# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-26T20:20:09+02:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'CrystEngComm / RSC') AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1516282","47.182","0.005","9.857","0.005","32.787","0.005","90","0.005","101.008","0.005","90","0.005","14968","8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H60 Cd2 N10 O21 -","- C54 H40 Cd2 N8 O16 -","- C432 H320 Cd16 N64 O128 -","8","1","","Song, Bai-Qiao; Wang, Xin-Long; Yang, Guang-Sheng; Wang, Hai-Ning; Liang, Jun; Shao, Kui-Zhan; Su, Zhong-Min","A polyrotaxane-like metal‒organic framework exhibiting luminescent sensing of Eu3+cations and proton conductivity","CrystEngComm","2014","16","30","6882","","10.1039/C4CE00546E","","","0.71069","MoKα","","0.0706","0.0459","","","0.1196","0.1283","","","","","","0.963","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518960","9.8293","0.0004","10.383","0.0006","24.9908","0.0013","84.684","0.004","81.333","0.004","71.773","0.004","2392.1","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","flufenamic acid and 4,4'-Bipyridine complex","2-{[3-(Trifluoromethyl)phenyl]amino}benzoic acid and4,4'bipyridine complex","","- C57 H42 F9 N6 O6 -","- C57 H42 F9 N6 O6 -","- C114 H84 F18 N12 O12 -","2","1","","Wittering, K. E.; Agnew, L. R.; Klapwijk, A. R.; Robertson, K.; Cousen, A. J. P.; Cruickshank, D. L.; Wilson, C. C.","Crystallisation and physicochemical property characterisation of conformationally-locked co-crystals of fenamic acid derivatives","CrystEngComm","2015","17","19","3610","","10.1039/C5CE00297D","","","0.71073","MoKα","","0.1378","0.0692","","","0.1617","0.2055","","","","","","1.009","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518961","7.3086","0.0003","8.6692","0.0004","13.632","0.0005","106.135","0.004","99.428","0.004","98.758","0.004","800.46","0.06","150","2","150","2","","","","","","","","4","P -1","-P 1","2","mefenamic acid and 4,4'-Bipyridine complex","2-(2,3-dimethylphenyl)aminobenzoic acid and 4,4'bipyridine complex","","- C20 H19 N2 O2 -","- C20 H19 N2 O2 -","- C40 H38 N4 O4 -","2","1","","Wittering, K. E.; Agnew, L. R.; Klapwijk, A. R.; Robertson, K.; Cousen, A. J. P.; Cruickshank, D. L.; Wilson, C. C.","Crystallisation and physicochemical property characterisation of conformationally-locked co-crystals of fenamic acid derivatives","CrystEngComm","2015","17","19","3610","","10.1039/C5CE00297D","","","0.71073","MoKα","","0.0769","0.0485","","","0.1008","0.1137","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518962","4.7081","0.0002","45.2195","0.0014","7.9188","0.0003","90","","106.896","0.005","90","","1613.12","0.11","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","tolfenamic acid and 4,4'-Bipyridine complex","2-[(3-chloro-2-methylphenyl)amino]benzoic acid and4,4'bipyridine complex","","- C19 H16 Cl N2 O2 -","- C19 H16 Cl N2 O2 -","- C76 H64 Cl4 N8 O8 -","4","1","","Wittering, K. E.; Agnew, L. R.; Klapwijk, A. R.; Robertson, K.; Cousen, A. J. P.; Cruickshank, D. L.; Wilson, C. C.","Crystallisation and physicochemical property characterisation of conformationally-locked co-crystals of fenamic acid derivatives","CrystEngComm","2015","17","19","3610","","10.1039/C5CE00297D","","","0.71073","MoKα","","0.0758","0.052","","","0.0971","0.1053","","","","","","1.104","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519444","13.488","0.002","9.6611","0.0015","9.3604","0.0013","90","","90.183","0.005","90","","1219.7","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N3 O -","- C14 H13 N3 O -","- C56 H52 N12 O4 -","4","1","","Hean, D.; Gelbrich, T.; Griesser, U. J.; Michael, J. P.; Lemmerer, A.","Structural insights into the hexamorphic system of an isoniazid derivative","CrystEngComm","2015","17","28","5143","","10.1039/C5CE00275C","","","0.71073","MoKα","","0.1147","0.0729","","","0.1936","0.2468","","","","","","1.087","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519445","25.8998","0.0013","5.5463","0.0003","8.3187","0.0004","90","","95.876","0.004","90","","1188.69","0.11","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N3 O -","- C14 H13 N3 O -","- C56 H52 N12 O4 -","4","1","","Hean, D.; Gelbrich, T.; Griesser, U. J.; Michael, J. P.; Lemmerer, A.","Structural insights into the hexamorphic system of an isoniazid derivative","CrystEngComm","2015","17","28","5143","","10.1039/C5CE00275C","","","0.71073","MoKα","","0.0772","0.0605","","","0.148","0.1587","","","","","","1.02","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519446","10.2114","0.0002","30.3315","0.0007","8.2353","0.0002","90","","110.193","0.001","90","","2393.92","0.09","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N3 O -","- C14 H13 N3 O -","- C112 H104 N24 O8 -","8","2","","Hean, D.; Gelbrich, T.; Griesser, U. J.; Michael, J. P.; Lemmerer, A.","Structural insights into the hexamorphic system of an isoniazid derivative","CrystEngComm","2015","17","28","5143","","10.1039/C5CE00275C","","","0.71073","MoKα","","0.0532","0.0398","","","0.1031","0.1117","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519447","6.3542","0.0004","7.6624","0.0006","49.231","0.003","90","","90","","90","","2397","0.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H13 N3 O -","- C14 H13 N3 O -","- C112 H104 N24 O8 -","8","1","","Hean, D.; Gelbrich, T.; Griesser, U. J.; Michael, J. P.; Lemmerer, A.","Structural insights into the hexamorphic system of an isoniazid derivative","CrystEngComm","2015","17","28","5143","","10.1039/C5CE00275C","","","0.71073","MoKα","","0.0566","0.0425","","","0.113","0.1317","","","","","","1.194","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519448","9.736","0.0006","9.8752","0.0006","26.1543","0.0016","92.856","0.004","100.295","0.004","91.291","0.004","2469.8","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H13 N3 O -","- C14 H13 N3 O -","- C112 H104 N24 O8 -","8","4","","Hean, D.; Gelbrich, T.; Griesser, U. J.; Michael, J. P.; Lemmerer, A.","Structural insights into the hexamorphic system of an isoniazid derivative","CrystEngComm","2015","17","28","5143","","10.1039/C5CE00275C","","","0.71073","MoKα","","0.1473","0.0559","","","0.1223","0.16","","","","","","0.995","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519449","10.6217","0.0016","14.442","0.002","8.2589","0.0012","90","","109.623","0.005","90","","1193.3","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","isonicotinic acid-(1-phenyl-ethylidenehydrazide)","","- C14 H13 N3 O -","- C14 H13 N3 O -","- C56 H52 N12 O4 -","4","1","","Hean, D.; Gelbrich, T.; Griesser, U. J.; Michael, J. P.; Lemmerer, A.","Structural insights into the hexamorphic system of an isoniazid derivative","CrystEngComm","2015","17","28","5143","","10.1039/C5CE00275C","","","0.71073","MoKα","","0.0934","0.0532","","","0.1078","0.1241","","","","","","1.039","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519665","8.066","0.002","11.397","0.002","19.555","0.004","74.776","0.009","80.442","0.009","85.17","0.009","1708.9","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H66 Co3 N10 O24 S2 -","- C66 H66 Co3 N10 O24 S2 -","- C66 H66 Co3 N10 O24 S2 -","1","0.5","","Datta, Amitabha; Massera, Chiara; Clegg, Jack K.; Aromí, Guillem; Aguilà, David; Huang, Jui-Hsien; Chuang, Sheng-Jie","Discrete and polymeric complexes formed from cobalt(ii), 4,4′-bipyridine and 2-sulfoterephthalate: synthetic, crystallographic and magnetic studies","CrystEngComm","2015","17","24","4502","","10.1039/C5CE00713E","","","0.71073","MoKα","","0.0657","0.05","","","0.1211","0.1368","","","","","","1.065","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519666","25.2378","0.0011","8.6872","0.0004","18.8139","0.0008","90","","130.447","0.005","90","","3139.1","0.3","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H26 Co3 N2 O20 S2 -","- C26 H18 Co3 N2 O20 S2 -","- C104 H72 Co12 N8 O80 S8 -","4","0.5","","Datta, Amitabha; Massera, Chiara; Clegg, Jack K.; Aromí, Guillem; Aguilà, David; Huang, Jui-Hsien; Chuang, Sheng-Jie","Discrete and polymeric complexes formed from cobalt(ii), 4,4′-bipyridine and 2-sulfoterephthalate: synthetic, crystallographic and magnetic studies","CrystEngComm","2015","17","24","4502","","10.1039/C5CE00713E","","","0.71073","MoKα","","0.0626","0.0522","","","0.1165","0.1246","","","","","","1.081","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519667","7.6877","0.0003","24.3258","0.0009","18.1655","0.0008","90","","94.185","0.001","90","","3388.1","0.2","190","2","190","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H74 Co3 N8 O32 S2 -","- C56 H66 Co3 N8 O28 S2 -","- C112 H132 Co6 N16 O56 S4 -","2","0.5","","Datta, Amitabha; Massera, Chiara; Clegg, Jack K.; Aromí, Guillem; Aguilà, David; Huang, Jui-Hsien; Chuang, Sheng-Jie","Discrete and polymeric complexes formed from cobalt(ii), 4,4′-bipyridine and 2-sulfoterephthalate: synthetic, crystallographic and magnetic studies","CrystEngComm","2015","17","24","4502","","10.1039/C5CE00713E","","","0.71069","MoKα","","0.0489","0.0393","","","0.0967","0.1009","","","","","","1.085","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519668","9.4916","0.0005","9.5694","0.0005","10.5062","0.0005","105.776","0.001","109.863","0.001","94.71","0.001","847.49","0.08","190","2","190","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H26 Co N4 O14 S2 -","- C36 H22 Co N4 O14 S2 -","- C36 H22 Co N4 O14 S2 -","1","0.5","","Datta, Amitabha; Massera, Chiara; Clegg, Jack K.; Aromí, Guillem; Aguilà, David; Huang, Jui-Hsien; Chuang, Sheng-Jie","Discrete and polymeric complexes formed from cobalt(ii), 4,4′-bipyridine and 2-sulfoterephthalate: synthetic, crystallographic and magnetic studies","CrystEngComm","2015","17","24","4502","","10.1039/C5CE00713E","","","0.71069","MoKα","","0.0424","0.0352","","","0.0956","0.1146","","","","","","1.122","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519669","10.118","0.005","13.926","0.005","19.699","0.005","90","","90.537","0.005","90","","2775.5","1.8","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H56 Co2 N8 O22 S2 -","- C56 H56 Co2 N8 O22 S2 -","- C112 H112 Co4 N16 O44 S4 -","2","0.5","","Datta, Amitabha; Massera, Chiara; Clegg, Jack K.; Aromí, Guillem; Aguilà, David; Huang, Jui-Hsien; Chuang, Sheng-Jie","Discrete and polymeric complexes formed from cobalt(ii), 4,4′-bipyridine and 2-sulfoterephthalate: synthetic, crystallographic and magnetic studies","CrystEngComm","2015","17","24","4502","","10.1039/C5CE00713E","","","0.71073","MoKα","","0.0639","0.0479","","","0.1158","0.1247","","","","","","1.032","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519670","10.5832","0.0005","15.6631","0.0006","9.8457","0.0005","90","","96.447","0.005","90","","1621.76","0.13","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-(2,5-Dihydro-1-1H-pyrrol-1-yl)-3-iodoprop-2-yn-1-one","","- C7 H6 I N O -","- C7 H6 I N O -","- C56 H48 I8 N8 O8 -","8","1","","Kratzer, Philipp; Ramming, Bastian; Römisch, Steven; Maas, Gerhard","The iodine‒oxygen halogen bond: solid-state structures of 3-iodopropiolamides","CrystEngComm","2015","17","24","4486","","10.1039/C5CE00365B","","x-ray","0.71073","MoKα","","0.0449","0.0342","","","0.078","0.0843","","","","","","1.029","","","","has coordinates","143412","2020-10-21","18:00:00",""
"1519671","10.344","0.0003","15.8341","0.0005","10.4832","0.0004","90","","95.996","0.003","90","","1707.63","0.1","179.95","0.1","179.95","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3-Iodo-1-(pyrrolidin-1-yl)prop-2-yn-1-one","","- C7 H8 I N O -","- C7 H8 I N O -","- C56 H64 I8 N8 O8 -","8","1","","Kratzer, Philipp; Ramming, Bastian; Römisch, Steven; Maas, Gerhard","The iodine‒oxygen halogen bond: solid-state structures of 3-iodopropiolamides","CrystEngComm","2015","17","24","4486","","10.1039/C5CE00365B","","","0.7107","MoKα","","0.053","0.0336","","","0.0571","0.068","","","","","","1.03","","","","has coordinates,has disorder","143412","2020-10-21","18:00:00",""
"1519672","9.1784","0.0003","8.6829","0.0003","11.5199","0.0004","90","","92.699","0.003","90","","917.06","0.05","150.1","0.5","150.1","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Iodo-1-(piperidin-1-yl)prop-2-yn-1-one","","- C8 H10 I N O -","- C8 H10 I N O -","- C32 H40 I4 N4 O4 -","4","1","","Kratzer, Philipp; Ramming, Bastian; Römisch, Steven; Maas, Gerhard","The iodine‒oxygen halogen bond: solid-state structures of 3-iodopropiolamides","CrystEngComm","2015","17","24","4486","","10.1039/C5CE00365B","","","0.7107","MoKα","","0.0348","0.0252","","","0.0423","0.0462","","","","","","1.046","","","","has coordinates","143412","2020-10-21","18:00:00",""
"1519673","8.7638","0.0003","8.591","0.0003","11.4989","0.0004","90","","101.488","0.004","90","","848.41","0.05","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Iodo-1-(morpholin-4-yl)prop-2-yn-1-one","","- C7 H8 I N O2 -","- C7 H8 I N O2 -","- C28 H32 I4 N4 O8 -","4","1","","Kratzer, Philipp; Ramming, Bastian; Römisch, Steven; Maas, Gerhard","The iodine‒oxygen halogen bond: solid-state structures of 3-iodopropiolamides","CrystEngComm","2015","17","24","4486","","10.1039/C5CE00365B","","","0.71073","MoKα","","0.0318","0.0241","","","0.0457","0.0497","","","","","","1.033","","","","has coordinates","143412","2020-10-21","18:00:00",""
"1519674","10.812","0.0004","8.1725","0.0002","9.279","0.0003","90","","102.202","0.004","90","","801.38","0.05","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Iodopropiolamide acetonitrile complex","","- C5 H5 I N2 O -","- C5 H5 I N2 O -","- C20 H20 I4 N8 O4 -","4","1","","Kratzer, Philipp; Ramming, Bastian; Römisch, Steven; Maas, Gerhard","The iodine‒oxygen halogen bond: solid-state structures of 3-iodopropiolamides","CrystEngComm","2015","17","24","4486","","10.1039/C5CE00365B","","x-ray","0.71073","MoKα","","0.0314","0.0242","","","0.0484","0.0532","","","","","","1.041","","","","has coordinates","143412","2020-10-21","18:00:00",""
"1519675","16.1674","0.001","4.1334","0.0003","9.0094","0.0006","90","","90","","90","","602.07","0.07","180.1","0.2","180.1","0.2","","","","","","","","5","P c a 21","P 2c -2ac","29","","3-Iodo-N-methyl-propiolamide","","- C4 H4 I N O -","- C4 H4 I N O -","- C16 H16 I4 N4 O4 -","4","1","","Kratzer, Philipp; Ramming, Bastian; Römisch, Steven; Maas, Gerhard","The iodine‒oxygen halogen bond: solid-state structures of 3-iodopropiolamides","CrystEngComm","2015","17","24","4486","","10.1039/C5CE00365B","","x-ray","0.71073","MoKα","","0.0253","0.0232","","","0.0528","0.0547","","","","","","1.01","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520076","12.828","0.0006","25.0953","0.0011","21.3666","0.0009","90","","131.748","0.001","90","","5131.8","0.4","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C108 H108 Ag2 B20 P6 -","- C108 H108 Ag2 B20 P6 -","- C216 H216 Ag4 B40 P12 -","2","0.5","","Avdeeva, Varvara V.; Buzin, Mikhail I.; Malinina, Elena A.; Kuznetsov, Nikolay T.; Vologzhanina, Anna V.","Reversible single-crystal-to-single-crystal photoisomerization of a silver(i) macropolyhedral borane","CrystEngComm","2015","17","46","8870","","10.1039/C5CE00859J","","","0.71073","MoKα","","0.0587","0.0384","","","0.0842","0.093","","","","","","1.032","","","","has coordinates","173731","2020-10-21","18:00:00",""
"1520077","12.9112","0.0009","25.0981","0.0018","21.0634","0.0014","90","","131.739","0.001","90","","5093.1","0.6","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C108 H108 Ag2 B20 P6 -","- C108 H108 Ag2 B20 P6 -","- C216 H216 Ag4 B40 P12 -","2","0.5","","Avdeeva, Varvara V.; Buzin, Mikhail I.; Malinina, Elena A.; Kuznetsov, Nikolay T.; Vologzhanina, Anna V.","Reversible single-crystal-to-single-crystal photoisomerization of a silver(i) macropolyhedral borane","CrystEngComm","2015","17","46","8870","","10.1039/C5CE00859J","","","0.71073","MoKα","","0.0723","0.0464","","","0.0924","0.1062","","","","","","1.001","","","","has coordinates,has disorder","173731","2020-10-21","18:00:00",""
"1520078","12.99","0.0008","25.155","0.0014","21.7332","0.0014","90","","131.733","0.002","90","","5299.6","0.6","353","","353","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C108 H108 Ag2 B20 P6 -","- C108 H108 Ag2 B20 P6 -","- C216 H216 Ag4 B40 P12 -","2","0.5","","Avdeeva, Varvara V.; Buzin, Mikhail I.; Malinina, Elena A.; Kuznetsov, Nikolay T.; Vologzhanina, Anna V.","Reversible single-crystal-to-single-crystal photoisomerization of a silver(i) macropolyhedral borane","CrystEngComm","2015","17","46","8870","","10.1039/C5CE00859J","","","0.71073","MoKα","","0.1045","0.0503","","","0.1123","0.1385","","","","","","1.011","","","","has coordinates,has disorder","173731","2020-10-21","18:00:00",""
"1520079","17.1017","0.0013","13.7034","0.0008","10.0254","0.0011","90","","105.429","0.011","90","","2264.8","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H0.25 O13 Zn3 -","- C12 H4 O13 Zn3 -","- C48 H16 O52 Zn12 -","4","0.5","","Li, Huan-Huan; Niu, Zheng; Chen, Long; Jiang, Hao-Bin; Wang, Ya-Ping; Cheng, Peng","Three luminescent metal‒organic frameworks constructed from trinuclear zinc(ii) clusters and furan-2,5-dicarboxylate","CrystEngComm","2015","17","27","5101","","10.1039/C5CE00931F","","","0.7107","MoKα","","0.0731","0.0604","","","0.1414","0.1478","","","","","","1.121","","","","has coordinates","143432","2020-10-21","18:00:00",""
"1520080","12.6947","0.0008","12.8242","0.0006","14.7971","0.0007","85.11","0.004","65.988","0.005","89.663","0.004","2191.4","0.2","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C65 H69 N7 O44.17 Zn6 -","- C65 H69 N7 O44.1666 Zn6 -","- C65 H69 N7 O44.1666 Zn6 -","1","0.5","","Li, Huan-Huan; Niu, Zheng; Chen, Long; Jiang, Hao-Bin; Wang, Ya-Ping; Cheng, Peng","Three luminescent metal‒organic frameworks constructed from trinuclear zinc(ii) clusters and furan-2,5-dicarboxylate","CrystEngComm","2015","17","27","5101","","10.1039/C5CE00931F","","","0.71073","MoKα","","0.0708","0.0581","","","0.1542","0.1672","","","","","","1.049","","","","has coordinates,has disorder","143432","2020-10-21","18:00:00",""
"1520081","9.3468","0.0012","15.2267","0.0008","17.6517","0.0008","90","","95.599","0.008","90","","2500.2","0.4","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 N2 O11 Zn1.5 -","- C17 H19 N2 O11 Zn1.5 -","- C68 H76 N8 O44 Zn6 -","4","1","","Li, Huan-Huan; Niu, Zheng; Chen, Long; Jiang, Hao-Bin; Wang, Ya-Ping; Cheng, Peng","Three luminescent metal‒organic frameworks constructed from trinuclear zinc(ii) clusters and furan-2,5-dicarboxylate","CrystEngComm","2015","17","27","5101","","10.1039/C5CE00931F","","","0.71073","MoKα","","0.1169","0.0875","","","0.2335","0.2587","","","","","","1.057","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1520118","4.7531","0.0007","15.683","0.002","14.17","0.002","90","","90.383","0.003","90","","1056.2","0.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Sinapic Acid","","","- C11 H12 O5 -","- C11 H12 O5 -","- C44 H48 O20 -","4","1","","Sinha, A. S.; Rao Khandavilli, U. B.; O’Connor, E. L.; Deadman, B. J.; Maguire, A. R.; Lawrence, S. E.","Novel co-crystals of the nutraceutical sinapic acid","CrystEngComm","2015","17","26","4832","","10.1039/C5CE00777A","","","0.71073","MoKα","","0.0613","0.0392","","","0.1034","0.1148","","","","","","1.301","","","","has coordinates","288505","2023-12-22","15:12:00",""
"1520119","4.9109","0.0011","9.1732","0.0018","18.814","0.004","99.563","0.007","94.601","0.007","90.531","0.007","832.9","0.3","300","2","300","2","","","","","","","","4","P -1","-P 1","2","Sinapic Acid + Nicotinamide","","","- C17 H18 N2 O6 -","- C17 H18 N2 O6 -","- C34 H36 N4 O12 -","2","1","","Sinha, A. S.; Rao Khandavilli, U. B.; O’Connor, E. L.; Deadman, B. J.; Maguire, A. R.; Lawrence, S. E.","Novel co-crystals of the nutraceutical sinapic acid","CrystEngComm","2015","17","26","4832","","10.1039/C5CE00777A","","","0.71073","MoKα","","0.1262","0.0536","","","0.1082","0.1322","","","","","","0.986","","","","has coordinates","143379","2020-10-21","18:00:00",""
"1520120","14.893","0.003","31.878","0.006","6.5992","0.0014","90","","95.192","0.004","90","","3120.2","1.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Sinapic Acid + 4-Pyridinecarbonitrile","","","- C17 H16 N2 O5 -","- C17 H16 N2 O5 -","- C136 H128 N16 O40 -","8","2","","Sinha, A. S.; Rao Khandavilli, U. B.; O'Connor, E. L.; Deadman, B. J.; Maguire, A. R.; Lawrence, S. E.","Novel co-crystals of the nutraceutical sinapic acid","CrystEngComm","2015","17","26","4832","","10.1039/C5CE00777A","","","0.71073","MoKα","","0.0938","0.0652","","","0.1548","0.1683","","","","","","1.155","","","","has coordinates","171653","2020-10-21","18:00:00",""
"1520121","8.2922","0.0008","10.5857","0.001","14.7818","0.0015","98.274","0.002","94.315","0.002","105.62","0.002","1227.7","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Sinapic Acid + 6-Propyl-2-thiouracil . 2 Acetonitrile","","","- C22 H28 N4 O6 S -","- C22 H28 N4 O6 S -","- C44 H56 N8 O12 S2 -","2","1","","Sinha, A. S.; Rao Khandavilli, U. B.; O'Connor, E. L.; Deadman, B. J.; Maguire, A. R.; Lawrence, S. E.","Novel co-crystals of the nutraceutical sinapic acid","CrystEngComm","2015","17","26","4832","","10.1039/C5CE00777A","","","0.71073","MoKα","","0.0474","0.0393","","","0.1031","0.1089","","","","","","1.07","","","","has coordinates","288505","2023-12-22","15:12:00",""
"1520122","8.452","0.0006","10.605","0.001","14.9134","0.0013","98.535","0.003","94.47","0.003","104.13","0.003","1272.82","0.19","300","2","300","2","","","","","","","","5","P -1","-P 1","2","Sinapic Acid + 6-Propyl-2-thiouracil . 2 Acetonitrile","","","- C22 H28 N4 O6 S -","- C22 H28 N4 O6 S -","- C44 H56 N8 O12 S2 -","2","1","","Sinha, A. S.; Rao Khandavilli, U. B.; O'Connor, E. L.; Deadman, B. J.; Maguire, A. R.; Lawrence, S. E.","Novel co-crystals of the nutraceutical sinapic acid","CrystEngComm","2015","17","26","4832","","10.1039/C5CE00777A","","","0.71073","MoKα","","0.0995","0.0522","","","0.1468","0.1694","","","","","","1.015","","","","has coordinates","288505","2023-12-22","15:12:00",""
"1529454","9.9296","0.0005","13.1794","0.0007","24.2673","0.0012","90","","90","","90","","3175.8","0.3","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","NZ-105 free form","efonidipine","","- C34 H38 N3 O7 P -","- C34 H38 N3 O7 P -","- C136 H152 N12 O28 P4 -","4","1","","Otsuka, M.; Maeno, Y.; Fukami, T.; Inoue, M.; Tagami, T.; Ozeki, T.","Developmental considerations for ethanolates with regard to stability and physicochemical characterization of efonidipine hydrochloride ethanolate","CrystEngComm","2015","17","38","7430","","10.1039/C5CE00751H","","","1.54178","CuKα","","0.0615","0.0418","","","0.1066","0.1349","","","","","","0.858","","","","has coordinates","198633","2020-10-21","18:00:00",""
"1529455","11.4763","0.0011","11.9281","0.0012","15.1054","0.0015","87.156","0.005","78.155","0.005","64.918","0.004","1831.3","0.3","296","","296","","","","","","","","","6","P -1","-P 1","2","NZ-105","efonidipine hydrochloride ethanolate","","- C36 H45 Cl N3 O8 P -","- C36 H44 Cl N3 O8 P -","- C72 H88 Cl2 N6 O16 P2 -","2","1","","Otsuka, M.; Maeno, Y.; Fukami, T.; Inoue, M.; Tagami, T.; Ozeki, T.","Developmental considerations for ethanolates with regard to stability and physicochemical characterization of efonidipine hydrochloride ethanolate","CrystEngComm","2015","17","38","7430","","10.1039/C5CE00751H","","","1.54178","CuKα","","0.0477","0.0433","","","0.1418","0.1533","","","","","","1.086","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"1529456","19.0391","0.0002","19.0391","0.0002","8.0073","0.0002","90","","90","","90","","2902.54","0.08","150","2","150","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C14 H13 N O5 Pb -","- C14 H13 N O5 Pb -","- C112 H104 N8 O40 Pb8 -","8","1","","Knichal, Jane V.; Gee, William J.; Burrows, Andrew D.; Raithby, Paul R.; Wilson, Chick C.","A new small molecule gelator and 3D framework ligator of lead(ii)","CrystEngComm","2015","17","42","8139","","10.1039/C5CE01689D","","","0.71073","MoKα","","0.0379","0.0283","","","0.0409","0.043","","","","","","1.052","","","","has coordinates","171098","2020-10-21","18:00:00",""
"1529472","12.808","0.013","24.306","0.008","7.7275","0.0017","90","","90","","90","","2406","3","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","[Cd3(N4CCH2COO)2(OH)2]n","[Cd3(N4CCH2COO)2(OH)2]n","","- C6 H6 Cd3 N8 O6 -","- C6 H4 Cd3 N8 O6 -","- C48 H32 Cd24 N64 O48 -","8","0.5","","Wu, Mei-Feng; Shen, Ting-Ting; He, Shuai; Wu, Ke-Qin; Wang, Shuai-Hua; Liu, Zhi-Fa; Zheng, Fa-Kun; Guo, Guo-Cong","An unprecedented organic‒inorganic hybrid material with an I3O3framework based on cadmium hydroxide and in situ generated 1H-tetrazolate-5-acetic acid","CrystEngComm","2015","17","39","7473","","10.1039/C5CE01347J","","","0.71073","MoKα","","0.0236","0.0193","","","0.0304","0.0316","","","","","","0.958","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1530397","26.362","0.005","16.67","0.003","19.521","0.004","90","","108.29","0.03","90","","8145","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C59 H99 Co3 Fe2 N21 O22 -","- C59 H63 Co3 Fe2 N21 O22 -","- C236 H252 Co12 Fe8 N84 O88 -","4","0.5","","Pan, F.; Gao, S.; Liu, H. Z.","A heterometallic nanosized tube {Fe[(CN)6]2[Co(LN3O2)]3}nand two of its lamellar polymorphous isomers","CrystEngComm","2015","17","39","7490","","10.1039/C5CE01185J","","","0.71073","MoKα","","0.1507","0.0638","","","0.1595","0.1747","","","","","","1.203","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1530398","17.276","0.004","29.697","0.006","31.436","0.006","90","","98.5","0.03","90","","15951","6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C114 H164 Co6 Fe4 N42 O31 -","- C114 H126 Co6 Fe4 N42 O29 -","- C456 H504 Co24 Fe16 N168 O116 -","4","1","","Pan, F.; Gao, S.; Liu, H. Z.","A heterometallic nanosized tube {Fe[(CN)6]2[Co(LN3O2)]3}nand two of its lamellar polymorphous isomers","CrystEngComm","2015","17","39","7490","","10.1039/C5CE01185J","","","0.71073","MoKα","","0.1748","0.0742","","","0.1831","0.2116","","","","","","1.07","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1530399","10.187","0.002","42.792","0.009","17.083","0.003","90","","101.5","0.03","90","","7297","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C57 H75 Co3 Fe2 N21 O12 -","- C57 H63 Co3 Fe2 N21 O11 -","- C228 H252 Co12 Fe8 N84 O44 -","4","1","","Pan, F.; Gao, S.; Liu, H. Z.","A heterometallic nanosized tube {Fe[(CN)6]2[Co(LN3O2)]3}nand two of its lamellar polymorphous isomers","CrystEngComm","2015","17","39","7490","","10.1039/C5CE01185J","","","0.71073","MoKα","","0.1999","0.094","","","0.2726","0.3198","","","","","","0.934","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1540392","5.674","0.001","7.086","0.002","9.745","0.002","90","","90","","90","","391.81","0.15","","","","","","","","","","","","4","P m n b","-P 2bc 2a","62","","Strontium Barium Silicate (1.9/0.1/1) - Alpha","","- Ba0.1 O4 Si Sr1.9 -","- Ba0.1 O4 Si Sr1.9 -","- Ba0.4 O16 Si4 Sr7.6 -","4","0.5","","Li, Xiaojun; Hua, Youjie; Ma, Hongping; Deng, Degang; Xu, Shiqing","Modification of the crystal structure of Sr2−xBaxSi(O,N)4: Eu2+phosphors to improve their luminescence properties","CrystEngComm","2015","17","47","9123","","10.1039/C5CE01605C","","","","","","0.052","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540393","5.6796","0.0004","7.1386","0.0006","9.7639","0.0001","90","","90","","90","","395.87","0.04","300","2","295","1","","","","","","","","5","P m n b","-P 2bc 2a","62","","Strontium Barium Silicate Oxynitride","","- Ba0.15 N O4 Si Sr2.85 -","- Ba0.15 N O4 Si Sr2.85 -","- Ba0.6 N4 O16 Si4 Sr11.4 -","4","0.5","","Li, Xiaojun; Hua, Youjie; Ma, Hongping; Deng, Degang; Xu, Shiqing","Modification of the crystal structure of Sr2−xBaxSi(O,N)4: Eu2+phosphors to improve their luminescence properties","CrystEngComm","2015","17","47","9123","","10.1039/C5CE01605C","","","0.71073","","","0.047","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540663","12.0935","0.0006","34.0051","0.0017","31.9458","0.0016","90","","93.564","0.003","90","","13112","1.1","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H40 N8 O8 Zn2 -","- C44 H40 N8 O8 Zn2 -","- C352 H320 N64 O64 Zn16 -","8","1","","Ju, Huiyeong; Park, In-Hyeok; Lee, Eunji; Kim, Seulgi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","Guest-triggered assembly of zinc(ii) supramolecular isomers with accompanying dimensional change and reversible single-crystal-to-single-crystal transformation","CrystEngComm","2016","18","9","1600","","10.1039/C5CE02194D","","","0.71073","MoKα","","0.1069","0.0535","","","0.1332","0.1446","","","","","","0.889","","","","has coordinates","177762","2020-10-21","18:00:00",""
"1540664","19.5006","0.0005","20.5981","0.0006","18.7188","0.0005","90","","116.064","0.001","90","","6754.2","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H88 N12 O18 Zn2 -","- C60 H76 N12 O18 Zn2 -","- C240 H304 N48 O72 Zn8 -","4","1","","Ju, Huiyeong; Park, In-Hyeok; Lee, Eunji; Kim, Seulgi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","Guest-triggered assembly of zinc(ii) supramolecular isomers with accompanying dimensional change and reversible single-crystal-to-single-crystal transformation","CrystEngComm","2016","18","9","1600","","10.1039/C5CE02194D","","","0.71073","MoKα","","0.1227","0.0701","","","0.1779","0.2044","","","","","","1.108","","","","has coordinates","177762","2020-10-21","18:00:00",""
"1540665","18.6866","0.0013","15.8553","0.0012","22.302","0.002","90","","90","","90","","6607.7","0.9","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H20 N4 O4 Zn -","- C22 H20 N4 O4 Zn -","- C176 H160 N32 O32 Zn8 -","8","1","","Ju, Huiyeong; Park, In-Hyeok; Lee, Eunji; Kim, Seulgi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","Guest-triggered assembly of zinc(ii) supramolecular isomers with accompanying dimensional change and reversible single-crystal-to-single-crystal transformation","CrystEngComm","2016","18","9","1600","","10.1039/C5CE02194D","","","0.71073","MoKα","","0.2215","0.1201","","","0.3174","0.3491","","","","","","1.024","","","","has coordinates","177762","2020-10-21","18:00:00",""
"1540666","9.987","0.004","22.605","0.012","17.815","0.006","90","","121.513","0.017","90","","3429","3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H35 N4 O4 Zn -","- C37 H35 N4 O4 Zn -","- C148 H140 N16 O16 Zn4 -","4","1","","Ju, Huiyeong; Park, In-Hyeok; Lee, Eunji; Kim, Seulgi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","Guest-triggered assembly of zinc(ii) supramolecular isomers with accompanying dimensional change and reversible single-crystal-to-single-crystal transformation","CrystEngComm","2016","18","9","1600","","10.1039/C5CE02194D","","","0.71073","MoKα","","0.1547","0.0677","","","0.1388","0.1801","","","","","","1.021","","","","has coordinates","177762","2020-10-21","18:00:00",""
"1540667","10.3361","0.0004","20.4349","0.0007","16.2418","0.0005","90","","91.807","0.002","90","","3428.8","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H81 N9 O13 Zn2 -","- C60 H73 N9 O13 Zn2 -","- C120 H146 N18 O26 Zn4 -","2","0.5","","Ju, Huiyeong; Park, In-Hyeok; Lee, Eunji; Kim, Seulgi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","Guest-triggered assembly of zinc(ii) supramolecular isomers with accompanying dimensional change and reversible single-crystal-to-single-crystal transformation","CrystEngComm","2016","18","9","1600","","10.1039/C5CE02194D","","","0.71073","MoKα","","0.1281","0.0782","","","0.2376","0.2753","","","","","","1.095","","","","has coordinates","177762","2020-10-21","18:00:00",""
"1546484","10.443","0.008","12.603","0.011","17.396","0.016","110.9","0.02","98.5","0.02","90.185","0.019","2112","3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","Isonicotinamide + 3MeO benzoic acid From MeCN","","","- C22 H22 N2 O7 -","- C22 H22 N2 O7 -","- C88 H88 N8 O28 -","4","2","","Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E.","Will they co-crystallize?","CrystEngComm","2017","19","36","5336","5340","10.1039/C7CE00587C","","","0.71073","MoKα","","0.1252","0.0657","","","0.1658","0.207","","","","","","1.011","","","","has coordinates","282777","2023-04-20","11:56:46",""
"1546485","5.222","0.004","8.817","0.007","14.578","0.011","101.606","0.018","94.434","0.016","94.826","0.018","652.1","0.9","300","2","300","2","","","","","","","","5","P -1","-P 1","2","7H Benzamide + 3-Fluorobenzoic Acid","","","- C14 H12 F N O3 -","- C14 H12 F N O3 -","- C28 H24 F2 N2 O6 -","2","1","","Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E.","Will they co-crystallize?","CrystEngComm","2017","19","36","5336","5340","10.1039/C7CE00587C","","","0.71073","MoKα","","0.182","0.0716","","","0.1504","0.2046","","","","","","0.974","","","","has coordinates","282777","2023-04-20","11:56:47",""
"1546486","11.012","0.002","4.0528","0.0008","32.335","0.006","90","","94.648","0.004","90","","1438.3","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","44'Bipyridyl + 2-Fluorobenzoic acid cocrystal","4,4'-Bipyridyl 2-Fluorobenzoic Acid","","- C17 H13 F N2 O2 -","- C17 H13 F N2 O2 -","- C68 H52 F4 N8 O8 -","4","1","","Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E.","Will they co-crystallize?","CrystEngComm","2017","19","36","5336","5340","10.1039/C7CE00587C","","","0.71073","MoKα","","0.0835","0.0589","","","0.1823","0.2075","","","","","","1.044","","","","has coordinates","282777","2023-04-20","11:56:47",""
"1546487","8.084","0.004","12.756","0.006","9.49","0.004","90","","93.543","0.012","90","","976.7","0.8","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Urea and 2-Nitrobenzoic Acid","","","- C8 H9 N3 O5 -","- C8 H9 N3 O5 -","- C32 H36 N12 O20 -","4","1","","Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E.","Will they co-crystallize?","CrystEngComm","2017","19","36","5336","5340","10.1039/C7CE00587C","","","0.71073","MoKα","","0.1156","0.0712","","","0.176","0.2452","","","","","","0.997","","","","has coordinates","282777","2023-04-20","11:56:47",""
"1546488","10.878","0.003","12.704","0.004","15.328","0.005","90","","107.034","0.009","90","","2025.3","1.1","300","2","300","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Nicotinamide + mToluic Acid from EtOH","","","- C22 H22 N2 O5 -","- C22 H22 N2 O5 -","- C88 H88 N8 O20 -","4","1","","Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E.","Will they co-crystallize?","CrystEngComm","2017","19","36","5336","5340","10.1039/C7CE00587C","","","0.71073","MoKα","","0.1629","0.0672","","","0.1559","0.2008","","","","","","1.036","","","","has coordinates","282777","2023-04-20","11:56:47",""
"1546489","27.715","0.003","7.0371","0.0007","21.947","0.002","90","","105.132","0.004","90","","4132","0.7","300","2","300","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Nicotinamide + 2Nitrobenzoic Acid from MeCN","","","- C20 H16 N4 O9 -","- C20 H16 N4 O9 -","- C160 H128 N32 O72 -","8","1","","Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E.","Will they co-crystallize?","CrystEngComm","2017","19","36","5336","5340","10.1039/C7CE00587C","","","0.71073","MoKα","","0.0539","0.0401","","","0.0994","0.1092","","","","","","1.019","","","","has coordinates","282777","2023-04-20","11:56:47",""
"1546490","10.479","0.002","4.9873","0.0009","12.644","0.003","90","","109.361","0.005","90","","623.4","0.2","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","Nicotinamide + 2Aminobenzoic Acid from EtOH","","","- C13 H13 N3 O3 -","- C13 H13 N3 O3 -","- C26 H26 N6 O6 -","2","1","","Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E.","Will they co-crystallize?","CrystEngComm","2017","19","36","5336","5340","10.1039/C7CE00587C","","","0.71073","MoKα","","0.0363","0.0305","","","0.07","0.0744","","","","","","1.042","","","","has coordinates","282777","2023-04-20","11:56:47",""
"1546491","11.8242","0.0018","10.035","0.0015","15.06","0.002","90","","104.953","0.002","90","","1726.4","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Urea + 2Nitrobenzoic Acid from MecN","","","- C15 H14 N4 O9 -","- C15 H14 N4 O9 -","- C60 H56 N16 O36 -","4","1","","Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E.","Will they co-crystallize?","CrystEngComm","2017","19","36","5336","5340","10.1039/C7CE00587C","","","0.71073","MoKα","","0.0464","0.0366","","","0.0933","0.1012","","","","","","1.038","","","","has coordinates","282777","2023-04-20","11:56:47",""
"1546492","13.629","0.016","7.151","0.008","13.651","0.015","90","","115.649","0.017","90","","1199","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Nicotinamide 4-Fluorobenzoic Acid Cocrystal","Nicotinamide 4-Fluorobenzoic Acid","","- C13 H11 F N2 O3 -","- C13 H11 F N2 O3 -","- C52 H44 F4 N8 O12 -","4","1","","Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E.","Will they co-crystallize?","CrystEngComm","2017","19","36","5336","5340","10.1039/C7CE00587C","","","0.71073","MoKα","","0.0609","0.0392","","","0.1015","0.1135","","","","","","1.029","","","","has coordinates","282777","2023-04-20","11:56:47",""
"1546493","7.988","0.003","11.004","0.005","12.725","0.006","73.939","0.01","75.605","0.01","89.042","0.011","1039.5","0.8","300","2","300","2","","","","","","","","4","P -1","-P 1","2","7A Benzamide + 2-Nitrobenzoic Acid","Benzamide 2-nitrobenzoic acid","","- C21 H17 N3 O9 -","- C21 H17 N3 O9 -","- C42 H34 N6 O18 -","2","1","","Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E.","Will they co-crystallize?","CrystEngComm","2017","19","36","5336","5340","10.1039/C7CE00587C","","","0.71073","MoKα","","0.1601","0.0657","","","0.1747","0.2499","","","","","","0.909","","","","has coordinates","282777","2023-04-20","11:56:47",""
"1546494","7.1167","0.0005","7.559","0.0005","12.8081","0.0009","85.164","0.002","75.933","0.002","85.895","0.002","665.04","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","Nicotinamide + 2Nitrobenzoic Acid","Nicotinamide 2-Nitrobenzoic Acid","","- C13 H11 N3 O5 -","- C13 H11 N3 O5 -","- C26 H22 N6 O10 -","2","1","","Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E.","Will they co-crystallize?","CrystEngComm","2017","19","36","5336","5340","10.1039/C7CE00587C","","","0.71073","MoKα","","0.0556","0.0397","","","0.1046","0.1159","","","","","","1.023","","","","has coordinates","282777","2023-04-20","11:56:47",""
"1546495","8.873","0.002","34.245","0.008","9.175","0.002","90","","105.942","0.008","90","","2680.7","1.1","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2Nitrobenzoic Acid + Isonicotinamide","","","- C26 H22 N6 O10 -","- C26 H22 N6 O10 -","- C104 H88 N24 O40 -","4","1","","Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E.","Will they co-crystallize?","CrystEngComm","2017","19","36","5336","5340","10.1039/C7CE00587C","","","0.71073","MoKα","","0.0661","0.0469","","","0.1235","0.1394","","","","","","1.046","","","","has coordinates","282777","2023-04-20","11:56:47",""
"1546496","12.516","0.005","10.899","0.004","9.306","0.003","90","","95.296","0.012","90","","1264","0.8","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Isonicotinamide + 2-Aminobenzoic Acid","","","- C13 H13 N3 O3 -","- C13 H13 N3 O3 -","- C52 H52 N12 O12 -","4","1","","Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E.","Will they co-crystallize?","CrystEngComm","2017","19","36","5336","5340","10.1039/C7CE00587C","","","0.71073","MoKα","","0.1847","0.0853","","","0.1978","0.2536","","","","","","1.015","","","","has coordinates,has disorder","282777","2023-04-20","11:56:47",""
"1546821","9.4175","0.0005","17.1528","0.0009","28.9801","0.0016","79.223","0.003","89.723","0.004","82.329","0.003","4556.6","0.4","143","2","143","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H154 Br6 Cu N8 O5 -","- C80 H154 Br6 Cu N8 O5 -","- C160 H308 Br12 Cu2 N16 O10 -","2","1","","Yao, Junyao; Chen, Qibin; Sheng, Yujie; Kai, Aiting; Liu, Honglai","pH-controlled crystal growth of copper/gemini surfactant complexes with bipyridine groups","CrystEngComm","2017","19","39","5835","5843","10.1039/c7ce01251a","","","1.54178","CuKα","","0.1011","0.0919","","","0.2301","0.2348","","","","","","1.113","","","","has coordinates","210954","2020-10-21","18:00:00",""
"1546822","30.2435","0.0005","9.4252","0.0002","18.2742","0.0003","90","","107.545","0.001","90","","4966.76","0.16","130","","130","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C80 H166 Br6 Cu2 N8 O12 -","- C80 H166 Br6 Cu2 N8 O12 -","- C160 H332 Br12 Cu4 N16 O24 -","2","0.5","","Yao, Junyao; Chen, Qibin; Sheng, Yujie; Kai, Aiting; Liu, Honglai","pH-controlled crystal growth of copper/gemini surfactant complexes with bipyridine groups","CrystEngComm","2017","19","39","5835","5843","10.1039/c7ce01251a","","","1.54178","CuKα","","0.0633","0.0562","","","0.1537","0.1608","","","","","","1.025","","","","has coordinates","210324","2020-10-21","18:00:00",""
"1546843","8.233","0.0008","9.737","0.0008","10.4837","0.001","107.355","0.003","101.071","0.004","111.799","0.003","699.98","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H13 N O6 Zn -","- C14 H13 N O6 Zn -","- C28 H26 N2 O12 Zn2 -","2","1","","Liu, Feng; Gao, Wei; Zhang, Xiu-Mei; Liu, Jie-Ping; Gao, En-Qing","Four coordination polymers based on dinuclear and trinuclear units with a new multifunctional pyridyl-dicarboxylate ligand: luminescence and magnetic properties","CrystEngComm","2017","19","38","5755","5763","10.1039/C7CE01042G","","","0.71073","MoKα","","0.0329","0.0282","","","0.0682","0.0707","","","","","","1.054","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546844","18.019","0.003","7.671","0.0012","23.088","0.003","90","","90","","90","","3191.3","0.8","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H24 Cl2 Mn3 N2 O11 -","- C28 H22 Cl2 Mn3 N2 O11 -","- C112 H88 Cl8 Mn12 N8 O44 -","4","0.5","","Liu, Feng; Gao, Wei; Zhang, Xiu-Mei; Liu, Jie-Ping; Gao, En-Qing","Four coordination polymers based on dinuclear and trinuclear units with a new multifunctional pyridyl-dicarboxylate ligand: luminescence and magnetic properties","CrystEngComm","2017","19","38","5755","5763","10.1039/C7CE01042G","","","0.71073","MoKα","","0.0474","0.036","","","0.0815","0.0858","","","","","","1.099","","","","has coordinates,has disorder","282777","2023-04-20","11:56:49",""
"1546845","8.0042","0.0002","11.5133","0.0003","17.4969","0.0005","90","","114.231","0.001","90","","1470.37","0.07","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C28 H22 N4 Ni3 O16 -","- C28 H22 N4 Ni3 O16 -","- C56 H44 N8 Ni6 O32 -","2","0.5","","Liu, Feng; Gao, Wei; Zhang, Xiu-Mei; Liu, Jie-Ping; Gao, En-Qing","Four coordination polymers based on dinuclear and trinuclear units with a new multifunctional pyridyl-dicarboxylate ligand: luminescence and magnetic properties","CrystEngComm","2017","19","38","5755","5763","10.1039/C7CE01042G","","","0.71073","MoKα","","0.0432","0.0336","","","0.0797","0.0843","","","","","","1.051","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546846","18.151","0.0009","11.5168","0.0005","15.9081","0.0008","90","","117.996","0.002","90","","2936.3","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H22 Co3 N4 O16 -","- C28 H22 Co3 N4 O16 -","- C112 H88 Co12 N16 O64 -","4","0.5","","Liu, Feng; Gao, Wei; Zhang, Xiu-Mei; Liu, Jie-Ping; Gao, En-Qing","Four coordination polymers based on dinuclear and trinuclear units with a new multifunctional pyridyl-dicarboxylate ligand: luminescence and magnetic properties","CrystEngComm","2017","19","38","5755","5763","10.1039/C7CE01042G","","","0.71073","MoKα","","0.066","0.0413","","","0.0885","0.0973","","","","","","1.008","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546847","26.783","0.003","10.9091","0.001","28.532","0.004","90","","145.631","0.006","90","","4706.1","1.2","103","4","103","4","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H20 Cd Cl2 N8 O9 -","- C32 H20 Cd Cl2 N8 O9 -","- C128 H80 Cd4 Cl8 N32 O36 -","4","0.5","","Wu, Xiang-Wen; Pan, Feng; Zhang, Dong; Jin, Guo-Xia; Ma, Jian-Ping","Self-assembly of new M( <scp>ii</scp> ) coordination polymers based on asymmetric 1,3,4-oxadiazole-containing ligands: effect of counterions and magnetic properties","CrystEngComm","2017","19","39","5864","5872","10.1039/C7CE01379E","","","0.71073","MoKα","","0.1372","0.1049","","","0.3075","0.3391","","","","","","1.173","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546848","7.8558","0.0003","13.5861","0.0005","31.5006","0.0014","90","","90","","90","","3362","0.2","289","0.5","289","0.5","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H10 N6 O7 Zn -","- C16 H10 N6 O7 Zn -","- C128 H80 N48 O56 Zn8 -","8","1","","Wu, Xiang-Wen; Pan, Feng; Zhang, Dong; Jin, Guo-Xia; Ma, Jian-Ping","Self-assembly of new M( <scp>ii</scp> ) coordination polymers based on asymmetric 1,3,4-oxadiazole-containing ligands: effect of counterions and magnetic properties","CrystEngComm","2017","19","39","5864","5872","10.1039/C7CE01379E","","","0.7107","MoKα","","0.0566","0.0401","","","0.0926","0.1031","","","","","","1.088","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546849","7.838","0.003","13.665","0.008","30.941","0.007","90","","90","","90","","3314","2","289.73","0.11","289.73","0.11","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C128 H80 Cu8 N48 O56 -","- C128 H80 Cu8 N48 O56 -","- C128 H80 Cu8 N48 O56 -","1","0.125","","Wu, Xiang-Wen; Pan, Feng; Zhang, Dong; Jin, Guo-Xia; Ma, Jian-Ping","Self-assembly of new M( <scp>ii</scp> ) coordination polymers based on asymmetric 1,3,4-oxadiazole-containing ligands: effect of counterions and magnetic properties","CrystEngComm","2017","19","39","5864","5872","10.1039/C7CE01379E","","","0.71073","MoKα","","0.2257","0.103","","","0.2286","0.2927","","","","","","1.07","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546850","9.5455","0.0004","13.8394","0.0006","17.274","0.0008","90","","102.492","0.004","90","","2227.94","0.17","289.5","0.1","289.5","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H11 Cd Cl3 N6 O7 -","- C17 H11 Cd Cl3 N6 O7 -","- C68 H44 Cd4 Cl12 N24 O28 -","4","1","","Wu, Xiang-Wen; Pan, Feng; Zhang, Dong; Jin, Guo-Xia; Ma, Jian-Ping","Self-assembly of new M( <scp>ii</scp> ) coordination polymers based on asymmetric 1,3,4-oxadiazole-containing ligands: effect of counterions and magnetic properties","CrystEngComm","2017","19","39","5864","5872","10.1039/C7CE01379E","","","0.7107","MoKα","","0.0489","0.0341","","","0.0638","0.0714","","","","","","1.049","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546851","17.3051","0.0005","8.1682","0.0002","12.9742","0.0004","90","","108.332","0.003","90","","1740.85","0.09","288.88","0.16","288.88","0.16","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 Cd N6 O7 -","- C16 H10 Cd N6 O7 -","- C64 H40 Cd4 N24 O28 -","4","1","","Wu, Xiang-Wen; Pan, Feng; Zhang, Dong; Jin, Guo-Xia; Ma, Jian-Ping","Self-assembly of new M( <scp>ii</scp> ) coordination polymers based on asymmetric 1,3,4-oxadiazole-containing ligands: effect of counterions and magnetic properties","CrystEngComm","2017","19","39","5864","5872","10.1039/C7CE01379E","","","0.7107","MoKα","","0.0397","0.0293","","","0.0595","0.0663","","","","","","1.093","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546852","30.6123","0.001","30.6123","0.001","29.4707","0.0012","90","","90","","120","","23917.3","1.5","108","11","108","11","","","","","","","","6","R -3","-R 3","148","","","","- C32 H20 Cl2 Cu N8 O10 -","- C32 H20 Cl2 Cu N8 O10 -","- C576 H360 Cl36 Cu18 N144 O180 -","18","","","Wu, Xiang-Wen; Pan, Feng; Zhang, Dong; Jin, Guo-Xia; Ma, Jian-Ping","Self-assembly of new M( <scp>ii</scp> ) coordination polymers based on asymmetric 1,3,4-oxadiazole-containing ligands: effect of counterions and magnetic properties","CrystEngComm","2017","19","39","5864","5872","10.1039/C7CE01379E","","","0.71073","MoKα","","0.1369","0.1114","","","0.3184","0.3363","","","","","","1.095","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1549180","7.4785","0.0002","21.4405","0.0005","9.022","0.0002","90","","94.218","0.002","90","","1442.69","0.06","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 N8 O6 Pb2 -","- C28 H24 N8 O6 Pb2 -","- C56 H48 N16 O12 Pb4 -","2","0.5","","Mahmoudi, Ghodrat; Seth, Saikat Kumar; Bauzá, Antonio; Zubkov, Fedor I.; Gurbanov, Atash V.; White, Jonathan; Stilinović, Vladimir; Doert, Thomas; Frontera, Antonio","Pb⋯X (X = N, S, I) tetrel bonding interactions in Pb(ii) complexes: X-ray characterization, Hirshfeld surfaces and DFT calculations","CrystEngComm","2018","20","20","2812","","10.1039/C8CE00110C","","x-ray","0.71073","MoKα","","0.0226","0.018","","","0.0423","0.043","","","","","","1.043","","","","has coordinates","229046","2020-10-21","18:00:00",""
"1549181","8.5997","0.0009","10.9376","0.0007","11.7938","0.0012","72.684","0.007","80.451","0.009","82.758","0.007","1040.9","0.17","130","0.1","130","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C16 H12 N6 O3 Pb2 S2 -","- C16 H12 N6 O3 Pb2 S2 -","- C32 H24 N12 O6 Pb4 S4 -","2","1","","Mahmoudi, Ghodrat; Seth, Saikat Kumar; Bauzá, Antonio; Zubkov, Fedor I.; Gurbanov, Atash V.; White, Jonathan; Stilinović, Vladimir; Doert, Thomas; Frontera, Antonio","Pb⋯X (X = N, S, I) tetrel bonding interactions in Pb(ii) complexes: X-ray characterization, Hirshfeld surfaces and DFT calculations","CrystEngComm","2018","20","20","2812","","10.1039/C8CE00110C","","","0.71073","MoKα","","0.0285","0.0249","","","0.0555","0.0574","","","","","","1.042","","","","has coordinates","229046","2020-10-21","18:00:00",""
"1549182","6.6742","0.0006","7.8985","0.0007","16.794","0.0015","82.614","0.005","81.44","0.005","65.269","0.005","792.99","0.13","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H10 I2 N4 O Pb -","- C12 H10 I2 N4 O Pb -","- C24 H20 I4 N8 O2 Pb2 -","2","1","","Mahmoudi, Ghodrat; Seth, Saikat Kumar; Bauzá, Antonio; Zubkov, Fedor I.; Gurbanov, Atash V.; White, Jonathan; Stilinović, Vladimir; Doert, Thomas; Frontera, Antonio","Pb⋯X (X = N, S, I) tetrel bonding interactions in Pb(ii) complexes: X-ray characterization, Hirshfeld surfaces and DFT calculations","CrystEngComm","2018","20","20","2812","","10.1039/C8CE00110C","","","0.71073","MoKα","","0.1228","0.0897","","","0.2154","0.2394","","","","","","1.11","","","","has coordinates","229046","2020-10-21","18:00:00",""
"1549183","15.4161","0.0005","13.7171","0.0005","14.9481","0.0005","90","","94.944","0.003","90","","3149.23","0.19","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 N10 O3 Pb S2 -","- C28 H26 N10 O3 Pb S2 -","- C112 H104 N40 O12 Pb4 S8 -","4","1","","Mahmoudi, Ghodrat; Seth, Saikat Kumar; Bauzá, Antonio; Zubkov, Fedor I.; Gurbanov, Atash V.; White, Jonathan; Stilinović, Vladimir; Doert, Thomas; Frontera, Antonio","Pb⋯X (X = N, S, I) tetrel bonding interactions in Pb(ii) complexes: X-ray characterization, Hirshfeld surfaces and DFT calculations","CrystEngComm","2018","20","20","2812","","10.1039/C8CE00110C","","","0.71073","MoKα","","0.056","0.0291","","","0.0559","0.058","","","","","","0.845","","","","has coordinates","229046","2020-10-21","18:00:00",""
"1549188","10.056","0.003","10.056","0.003","10.07","0.002","90","","90","","120","","881.9","0.4","333","","333","","","","","","","","","4","P 6/m m m","-P 6 2","191","","","","- C62 H4 Br2 Cl2 -","- C1.99992 H3.99984 Br2.00016 Cl2.00016 Sp -","- C1.99992 H3.99984 Br2.00016 Cl2.00016 Sp -","1","0.0416667","","Ye, Jin; Barrio, Maria; Céolin, René; Qureshi, Navid; Negrier, Philippe; Rietveld, Ivo B.; Tamarit, Josep Lluís","An order‒disorder phase transition in the van der Waals based solvate of C60 and CClBrH2","CrystEngComm","2018","20","19","2729","","10.1039/C8CE00271A","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","7.2171","","","","","","","","has coordinates","229016","2020-10-21","18:00:00",""
"1549189","9.9153","0.0017","17.412","0.004","10.0478","0.0017","90","","101.966","0.009","90","","1697","0.6","303","","303","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C62 H4 Br2 Cl2 -","- C62 H4 Br2 Cl2 -","- C124 H8 Br4 Cl4 -","2","0.25","","Ye, Jin; Barrio, Maria; Céolin, René; Qureshi, Navid; Negrier, Philippe; Rietveld, Ivo B.; Tamarit, Josep Lluís","An order‒disorder phase transition in the van der Waals based solvate of C60 and CClBrH2","CrystEngComm","2018","20","19","2729","","10.1039/C8CE00271A","","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","229016","2020-10-21","18:00:00",""
"1549717","25.386","0.003","25.15","0.003","17.6282","0.0017","90","","114.178","0.003","90","","10268","2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39.5 H48.9 N6.5 O16.2 Zn2 -","- C28 H12 N2 O12 Zn2 -","- C224 H96 N16 O96 Zn16 -","8","1","","Zhang, Yiwen; Su, Kongzhao; Hao, Miao; Liu, Lin; Han, Zheng-Bo; Yuan, Daqiang","Two metal‒organic frameworks based on pyridyl‒tricarboxylate ligands as size-selective catalysts for solvent-free cyanosilylation reaction","CrystEngComm","2018","20","39","6070","","10.1039/C8CE00694F","","","0.71073","MoKα","","0.1643","0.0798","","","0.2117","0.2465","","","","","","1.005","","","","has coordinates","228970","2020-10-21","18:00:00",""
"1549718","26.4534","0.0015","24.3372","0.0013","17.6488","0.0008","90","","109.622","0.002","90","","10702.5","1","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42.15 H54.35 Cd2 N6.05 O16.05 -","- C28 H12 Cd2 N2 O12 -","- C224 H96 Cd16 N16 O96 -","8","1","","Zhang, Yiwen; Su, Kongzhao; Hao, Miao; Liu, Lin; Han, Zheng-Bo; Yuan, Daqiang","Two metal‒organic frameworks based on pyridyl‒tricarboxylate ligands as size-selective catalysts for solvent-free cyanosilylation reaction","CrystEngComm","2018","20","39","6070","","10.1039/C8CE00694F","","","0.71073","MoKα","","0.1268","0.0667","","","0.1764","0.2066","","","","","","1.032","","","","has coordinates","228970","2020-10-21","18:00:00",""
"1551207","34.673","0.006","12.09","0.002","17.728","0.003","90","","119.214","0.002","90","","6486.2","1.9","200","2","200","2","","","","","","","no","4","C 1 2/c 1","-C 2yc","15","C18NMeCarbacage","C18NMeCarbaCage","","- C67 H117 N Si2 -","- C67 H117 N Si2 -","- C268 H468 N4 Si8 -","4","0.5","","Hashimoto, Hikaru; Inagaki, Yusuke; Momma, Hiroyuki; Kwon, Eunsang; Yamaguchi, Kentaro; Setaka, Wataru","Polarized fluorescence of a crystal having uniaxially oriented molecules by a carbazole-diyl-bridged macrocage","CrystEngComm","2019","21","26","3910","","10.1039/C9CE00706G","","","0.71073","MoKα","","0.1726","0.1083","","","0.3444","0.3993","","","","","","1.291","","","","has coordinates,has disorder","223574","2020-10-21","18:00:00",""
"1551208","15.104","0.007","6.317","0.004","20.8662","0.001","90","","96.345","0.011","90","","1978.7","1.6","100","2","100","2","","","","","","","no","4","P 1 21/n 1","-P 2yn","14","TMS2MeCarba","TMS2MeCarba","","- C19 H27 N Si2 -","- C19 H27 N Si2 -","- C76 H108 N4 Si8 -","4","1","","Hashimoto, Hikaru; Inagaki, Yusuke; Momma, Hiroyuki; Kwon, Eunsang; Yamaguchi, Kentaro; Setaka, Wataru","Polarized fluorescence of a crystal having uniaxially oriented molecules by a carbazole-diyl-bridged macrocage","CrystEngComm","2019","21","26","3910","","10.1039/C9CE00706G","","","0.71073","MoKα","","0.0605","0.0487","","","0.1114","0.114","","","","","","0.889","","","","has coordinates","223574","2020-10-21","18:00:00",""
"1565076","18.5171","0.0001","18.5171","0.0001","7.067","0.0001","90","","90","","90","","2423.15","0.04","100","2","100","2","","","","","","","","4","P 4/n :2","-P 4a","85","","tetrakis(4-dihydroxyborylphenyl)adamantane acetone pentasolvate","","- C49 H66 B4 O13 -","- C49 H66 B4 O13 -","- C98 H132 B8 O26 -","2","0.25","","Drapała, Jakub; Marek-Urban, Paulina H.; Klimkowski, Piotr; Urbanowicz, Karolina A.; Gontarczyk, Krzysztof; Woźniak, Krzysztof; Luliński, Sergiusz; Durka, Krzysztof","Design of solvatomorphic structures based on a polyboronated tetraphenyladamantane molecular tecton","CrystEngComm","2021","23","46","8169","8182","10.1039/D1CE01297E","","","1.54178","CuKα","","0.0947","0.0958","","","0.1964","0.197","","","","","","1.214","","","","has coordinates,has disorder","271178","2021-12-07","03:09:06",""
"1565077","18.8442","0.0015","18.8442","0.0015","7.0478","0.0006","90","","90","","90","","2502.7","0.4","100","2","100","0.1","","","","","","","","5","P 4/n :2","-P 4a","85","","tetrakis(4-dihydroxyborylphenyl)adamantane dimethyl sulfoxide pentasolvate","","- C44 H60 B4 O13 S5 -","- C44 H60 B4 O13 S5 -","- C88 H120 B8 O26 S10 -","2","0.25","","Drapała, Jakub; Marek-Urban, Paulina H.; Klimkowski, Piotr; Urbanowicz, Karolina A.; Gontarczyk, Krzysztof; Woźniak, Krzysztof; Luliński, Sergiusz; Durka, Krzysztof","Design of solvatomorphic structures based on a polyboronated tetraphenyladamantane molecular tecton","CrystEngComm","2021","23","46","8169","8182","10.1039/D1CE01297E","","x-ray","1.54184","CuKα","","0.1317","0.1168","","","0.2442","0.2522","","","","","","1.205","","","","has coordinates","271178","2021-12-07","03:09:07",""
"1565078","11.2591","0.0007","11.2591","0.0007","7.1282","0.0005","90","","90","","90","","903.62","0.1","100.01","0.1","100","1","","","","","","","","4","P -4","P -4","81","","tetrakis(4-metoxyhydroxyborylphenyl)adamantane water disolvate","","- C38 H48 B4 O10 -","- C38 H48 B4 O10 -","- C38 H48 B4 O10 -","1","0.25","","Drapała, Jakub; Marek-Urban, Paulina H.; Klimkowski, Piotr; Urbanowicz, Karolina A.; Gontarczyk, Krzysztof; Woźniak, Krzysztof; Luliński, Sergiusz; Durka, Krzysztof","Design of solvatomorphic structures based on a polyboronated tetraphenyladamantane molecular tecton","CrystEngComm","2021","23","46","8169","8182","10.1039/D1CE01297E","","","1.54184","CuKα","","0.0741","0.064","","","0.1759","0.1872","","","","","","1.066","","","","has coordinates","271178","2021-12-07","03:09:07",""
"1565079","17.4201","0.0007","17.4201","0.0007","26.248","0.003","90","","90","","90","","7965.2","1","100","2","100","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","tetrakis(4-dihydroxyborylphenyl)adamantane dioxane disolvate water monosolvate","","- C42 H54 B4 O13 -","- C42 H54 B4 O13 -","- C336 H432 B32 O104 -","8","0.5","","Drapała, Jakub; Marek-Urban, Paulina H.; Klimkowski, Piotr; Urbanowicz, Karolina A.; Gontarczyk, Krzysztof; Woźniak, Krzysztof; Luliński, Sergiusz; Durka, Krzysztof","Design of solvatomorphic structures based on a polyboronated tetraphenyladamantane molecular tecton","CrystEngComm","2021","23","46","8169","8182","10.1039/D1CE01297E","","x-ray","1.54178","CuKα","","0.127","0.1118","","","0.3483","0.3637","","","","","","1.67","","","","has coordinates","271178","2021-12-07","03:09:07",""
"1565080","18.7776","0.0003","18.7776","0.0003","7.0172","0.0003","90","","90","","90","","2474.25","0.12","100","2","95","2","","","","","","","","6","P 4/n :2","-P 4a","85","","tetrakis(4-dihydroxyborylphenyl)adamantane acetonitrile monosolvate dimethyl sulfoxide tetrasolvate","","- C43 H61.5 B4 N0.5 O12 S4 -","- C43 H61.5 B4 N0.5 O12 S4 -","- C86 H123 B8 N O24 S8 -","2","0.25","","Drapała, Jakub; Marek-Urban, Paulina H.; Klimkowski, Piotr; Urbanowicz, Karolina A.; Gontarczyk, Krzysztof; Woźniak, Krzysztof; Luliński, Sergiusz; Durka, Krzysztof","Design of solvatomorphic structures based on a polyboronated tetraphenyladamantane molecular tecton","CrystEngComm","2021","23","46","8169","8182","10.1039/D1CE01297E","","","1.54178","CuKα","","0.1126","0.0825","","","0.2422","0.2699","","","","","","1.055","","","","has coordinates,has disorder","271178","2021-12-07","03:09:07",""
"1565081","16.1648","0.0015","16.1648","0.0015","7.1212","0.0012","90","","90","","90","","1860.8","0.4","100","2","100.01","0.1","","","","","","","","5","P 4/n :2","-P 4a","85","","tetrakis(4-(hydroxymetoxy)borylphenyl)adamantane urea cocrystal","","- C19.5 H24 B2 N O4.5 -","- C19.5 H24 B2 N O4.5 -","- C78 H96 B8 N4 O18 -","4","0.5","","Drapała, Jakub; Marek-Urban, Paulina H.; Klimkowski, Piotr; Urbanowicz, Karolina A.; Gontarczyk, Krzysztof; Woźniak, Krzysztof; Luliński, Sergiusz; Durka, Krzysztof","Design of solvatomorphic structures based on a polyboronated tetraphenyladamantane molecular tecton","CrystEngComm","2021","23","46","8169","8182","10.1039/D1CE01297E","","x-ray","1.54184","CuKα","","0.1946","0.1508","","","0.3939","0.4235","","","","","","1.114","","","","has coordinates,has disorder","271178","2021-12-07","03:09:07",""
"1565082","30.202","0.013","7.1631","0.0002","25.857","0.005","90","","117.95","0.04","90","","4941","3","100","2","100","0.02","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","tetrakis(4-dihydroxyborylphenyl)adamantane dimethylformamide tetrasolvate","","- C46 H63 B4 N4 O12 -","- C46 H63 B4 N4 O12 -","- C184 H252 B16 N16 O48 -","4","0.5","","Drapała, Jakub; Marek-Urban, Paulina H.; Klimkowski, Piotr; Urbanowicz, Karolina A.; Gontarczyk, Krzysztof; Woźniak, Krzysztof; Luliński, Sergiusz; Durka, Krzysztof","Design of solvatomorphic structures based on a polyboronated tetraphenyladamantane molecular tecton","CrystEngComm","2021","23","46","8169","8182","10.1039/D1CE01297E","","","1.5418","CuKα","","0.1033","0.0759","","","0.2133","0.2391","","","","","","1.02","","","","has coordinates","271178","2021-12-07","03:09:07",""
"1566629","7.2387","0.0001","9.6411","0.0002","10.4545","0.0002","81.448","0.001","75.399","0.001","70.165","0.002","662.56","0.02","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H26 Cd N4 O6 P2 S4 -","- C18 H26 Cd N4 O6 P2 S4 -","- C18 H26 Cd N4 O6 P2 S4 -","1","0.5","","Tan, Yee Seng; Yeo, Chien Ing; Kwong, Huey Chong; Tiekink, Edward R. T.","Unusual {⋯HNC <sub>2</sub> O⋯HC <sub> <i>n</i> </sub> O}, <i>n</i> = 1 or 2, synthons predominate in the molecular packing of one-dimensional coordination polymers, {Cd[S <sub>2</sub> P(OR) <sub>2</sub> ] <sub>2</sub> ( <sup>3</sup> LH <sub>2</sub> )} <sub> <i>n</i> </sub> , for R = Me and Et, but are precluded when R = i-Pr; <sup>3</sup> LH <sub>2</sub> = <i>N</i> , <i>N</i> ′-bis(3-pyridylmethyl)oxalamide","CrystEngComm","2022","24","16","2992","3004","10.1039/D2CE00208F","","","1.54178","CuKα","","0.0165","0.0164","","","0.0431","0.0432","","","","","","1.026","","","","has coordinates","282777","2023-04-20","11:56:53",""
"1566630","9.9154","0.0001","12.3655","0.0001","15.4749","0.0002","106.08","0.001","99.172","0.001","91.827","0.001","1794.03","0.03","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H42 Cd N4 O6 P2 S4 -","- C26 H42 Cd N4 O6 P2 S4 -","- C52 H84 Cd2 N8 O12 P4 S8 -","2","1","","Tan, Yee Seng; Yeo, Chien Ing; Kwong, Huey Chong; Tiekink, Edward R. T.","Unusual {⋯HNC <sub>2</sub> O⋯HC <sub> <i>n</i> </sub> O}, <i>n</i> = 1 or 2, synthons predominate in the molecular packing of one-dimensional coordination polymers, {Cd[S <sub>2</sub> P(OR) <sub>2</sub> ] <sub>2</sub> ( <sup>3</sup> LH <sub>2</sub> )} <sub> <i>n</i> </sub> , for R = Me and Et, but are precluded when R = i-Pr; <sup>3</sup> LH <sub>2</sub> = <i>N</i> , <i>N</i> ′-bis(3-pyridylmethyl)oxalamide","CrystEngComm","2022","24","16","2992","3004","10.1039/D2CE00208F","","","1.54178","CuKα","","0.0184","0.0178","","","0.046","0.0463","","","","","","1.036","","","","has coordinates","282777","2023-04-20","11:56:53",""
"1566631","9.0611","0.0003","9.2065","0.0003","10.5703","0.0004","82.436","0.003","77.672","0.003","64.113","0.003","774.27","0.05","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H34 Cd N4 O6 P2 S4 -","- C22 H34 Cd N4 O6 P2 S4 -","- C22 H34 Cd N4 O6 P2 S4 -","1","0.5","","Tan, Yee Seng; Yeo, Chien Ing; Kwong, Huey Chong; Tiekink, Edward R. T.","Unusual {⋯HNC <sub>2</sub> O⋯HC <sub> <i>n</i> </sub> O}, <i>n</i> = 1 or 2, synthons predominate in the molecular packing of one-dimensional coordination polymers, {Cd[S <sub>2</sub> P(OR) <sub>2</sub> ] <sub>2</sub> ( <sup>3</sup> LH <sub>2</sub> )} <sub> <i>n</i> </sub> , for R = Me and Et, but are precluded when R = i-Pr; <sup>3</sup> LH <sub>2</sub> = <i>N</i> , <i>N</i> ′-bis(3-pyridylmethyl)oxalamide","CrystEngComm","2022","24","16","2992","3004","10.1039/D2CE00208F","","","1.54178","CuKα","","0.0159","0.0158","","","0.0396","0.0397","","","","","","1.063","","","","has coordinates","282777","2023-04-20","11:56:53",""
"1571179","10.2478","0.0006","19.9069","0.0014","35.264","0.002","90","","94.106","0.005","90","","7175.5","0.8","150","0.1","150.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C53 H43 Fe O13 S32 -","- C53 H43 Fe O13 S32 -","- C212 H172 Fe4 O52 S128 -","4","0.5","","Blundell, Toby J.; Rusbridge, Elizabeth K.; Pemberton, Rebecca E.; Brannan, Michael J.; Morritt, Alexander L.; Ogar, Joseph O.; Wallis, John D.; Akutsu, Hiroki; Nakazawa, Yasuhiro; Imajo, Shusaku; Martin, Lee","Introduction of new guest molecules into BEDT-TTF radical-cation salts with tris(oxalato)ferrate","CrystEngComm","2024","26","14","1962","1975","10.1039/D4CE00099D","","","1.54184","CuKα","","0.1218","0.0862","","","0.2072","0.2425","","","","","","1.037","","","","has coordinates,has disorder","290893","2024-04-04","23:08:27",""
"1571180","10.3279","0.0003","20.0206","0.0005","35.3409","0.0009","90","","92.91","0.007","90","","7298","0.3","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H39 Fe O14 S32 -","- C52 H39 Fe O14 S32 -","- C208 H156 Fe4 O56 S128 -","4","0.5","","Blundell, Toby J.; Rusbridge, Elizabeth K.; Pemberton, Rebecca E.; Brannan, Michael J.; Morritt, Alexander L.; Ogar, Joseph O.; Wallis, John D.; Akutsu, Hiroki; Nakazawa, Yasuhiro; Imajo, Shusaku; Martin, Lee","Introduction of new guest molecules into BEDT-TTF radical-cation salts with tris(oxalato)ferrate","CrystEngComm","2024","26","14","1962","1975","10.1039/D4CE00099D","","","0.71075","MoKα","","0.054","0.0382","","","0.0849","0.0919","","","","","","1.019","","","","has coordinates,has disorder","290893","2024-04-04","23:08:27",""
"1571181","10.2331","0.001","11.1922","0.0009","35.2191","0.0014","89.485","0.005","86.524","0.006","62.861","0.009","3582.2","0.6","150","0.1","150.15","","","","","","","","","5","P -1","-P 1","2","","","","- C53 H41 Fe O14 S32 -","- C53 H41 Fe O14 S32 -","- C106 H82 Fe2 O28 S64 -","2","1","","Blundell, Toby J.; Rusbridge, Elizabeth K.; Pemberton, Rebecca E.; Brannan, Michael J.; Morritt, Alexander L.; Ogar, Joseph O.; Wallis, John D.; Akutsu, Hiroki; Nakazawa, Yasuhiro; Imajo, Shusaku; Martin, Lee","Introduction of new guest molecules into BEDT-TTF radical-cation salts with tris(oxalato)ferrate","CrystEngComm","2024","26","14","1962","1975","10.1039/D4CE00099D","","","1.54184","CuKα","","0.1749","0.1359","","","0.3833","0.4348","","","","","","1.514","","","","has coordinates,has disorder","290893","2024-04-04","23:08:27",""
"1571182","11.1233","0.0002","11.5487","0.0002","35.1801","0.0006","89.381","0.006","85.771","0.006","69.934","0.005","4232.83","0.19","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C56 H44 Fe O14 S40 -","- C58 H50 Fe O15 S40 -","- C116 H100 Fe2 O30 S80 -","2","1","","Blundell, Toby J.; Rusbridge, Elizabeth K.; Pemberton, Rebecca E.; Brannan, Michael J.; Morritt, Alexander L.; Ogar, Joseph O.; Wallis, John D.; Akutsu, Hiroki; Nakazawa, Yasuhiro; Imajo, Shusaku; Martin, Lee","Introduction of new guest molecules into BEDT-TTF radical-cation salts with tris(oxalato)ferrate","CrystEngComm","2024","26","14","1962","1975","10.1039/D4CE00099D","","","0.71075","MoKα","","0.0844","0.0595","","","0.1699","0.1863","","","","","","1.041","","","","has coordinates","290893","2024-04-04","23:08:27",""
"1571183","24.9368","0.0006","19.4844","0.0003","31.8267","0.001","90","","108.849","0.003","90","","14634.6","0.7","293","2","293","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C50 H37 Fe O12 S32 -","- C50 H37 Fe O12 S32 -","- C400 H296 Fe8 O96 S256 -","8","2","","Blundell, Toby J.; Rusbridge, Elizabeth K.; Pemberton, Rebecca E.; Brannan, Michael J.; Morritt, Alexander L.; Ogar, Joseph O.; Wallis, John D.; Akutsu, Hiroki; Nakazawa, Yasuhiro; Imajo, Shusaku; Martin, Lee","Introduction of new guest molecules into BEDT-TTF radical-cation salts with tris(oxalato)ferrate","CrystEngComm","2024","26","14","1962","1975","10.1039/D4CE00099D","","","1.54184","CuKα","","0.1527","0.0706","","","0.1774","0.2294","","","","","","0.962","","","","has coordinates,has disorder","290893","2024-04-04","23:08:27",""
"3000424","10.759","","5.2","","12.76","","90","","90.67","","90","","713.832","","79","","79","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 N3 O2 -","- C6 H8 N3 O2 -","- C24 H32 N12 O8 -","4","1","","Sasaki, Toshiyuki; Nakane, Takanori; Kawamoto, Akihiro; Nishizawa, Tomohiro; Kurisu, Genji","Microcrystal electron diffraction (MicroED) structure determination of a mechanochemically synthesized co-crystal not affordable from solution crystallization","CrystEngComm","2023","","","","","10.1039/D2CE01522F","","","0.02508","electrons","","0.1822","0.112","","","0.299","0.3195","","","","","","1.026","","","","has coordinates","280265","2023-01-10","03:55:24",""
"7200143","13.7323","","13.655","","13.8872","","91.2324","","105.339","","135.775","","1663.08","","","","","","","","","","","","","4","P 1","P 1","1","","","","?","- C24 H24 N16 Zn4 -","- C24 H24 N16 Zn4 -","","","","Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua","An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding","CrystEngComm","2009","11","11","2268","","10.1039/b910263a","","","","","","","","","","","","","","","","","","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200144","16.6271","","16.6548","","16.7851","","109.485","","109.441","","108.625","","3615.54","","","","","","","","","","","","","4","P 1","P 1","1","","","","?","- C48 H48 N32 Zn8 -","- C48 H48 N32 Zn8 -","","","","Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua","An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding","CrystEngComm","2009","11","11","2268","","10.1039/b910263a","","","","","","","","","","","","","","","","","","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200145","26.8755","","26.9156","","16.5745","","90.0223","","89.9957","","119.88","","10395.7","","","","","","","","","","","","","4","P 1","P 1","1","","","","?","- C144 H144 N96 Zn24 -","- C144 H144 N96 Zn24 -","","","","Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua","An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding","CrystEngComm","2009","11","11","2268","","10.1039/b910263a","","","","","","","","","","","","","","","","","","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200146","18.5541","","18.5075","","18.6002","","60.4969","","60.5442","","60.3932","","4565.17","","","","","","","","","","","","","4","P 1","P 1","1","","","","?","- C60 H60 N40 Zn10 -","- C60 H60 N40 Zn10 -","","","","Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua","An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding","CrystEngComm","2009","11","11","2268","","10.1039/b910263a","","","","","","","","","","","","","","","","","","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200147","18.8838","","18.9879","","26.3157","","45.7259","","46.089","","83.987","","3297.57","","","","","","","","","","","","","4","P 1","P 1","1","","","","?","- C48 H48 N32 Zn8 -","- C48 H48 N32 Zn8 -","","","","Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua","An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding","CrystEngComm","2009","11","11","2268","","10.1039/b910263a","","","","","","","","","","","","","","","","","","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200148","23.764","","23.7638","","23.7639","","118.093","","118.093","","118.093","","4761.33","","","","","","","","","","","","","4","P 1","P 1","1","","","","?","- C72 H72 N48 Zn12 -","- C72 H72 N48 Zn12 -","","","","Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua","An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding","CrystEngComm","2009","11","11","2268","","10.1039/b910263a","","","","","","","","","","","","","","","","","","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200149","9.625","0.005","15.381","0.011","27.53","0.015","90","","90","","90","","4076","4","294","2","294","2","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C5 H12 Nd O10 -","- C5 H12 Nd O10 -","- C80 H192 Nd16 O160 -","16","0.5","","Zhu, Ping; Gu, Wen; Liu, Mei-Ling; Song, Hai-Bin; Liu, Xin; Gao, Yue-Qiang; Duan, Hong-Yue; Yan, Shi-Ping; Liao, Dai-Zheng","A family of 3D lanthanide oxalatosuccinate with rare structures: 3D host framework incorporating a 3D alkali metal guest lattice","CrystEngComm","2009","11","2","351","","10.1039/b804956d","","","0.71073","MoKα","","0.0226","0.0201","","","0.0476","0.049","","","","","","1.083","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200150","6.2366","0.0008","9.4082","0.0012","15.699","0.002","90","","93.103","0.002","90","","919.8","0.2","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H6 Gd Na O10 -","- C5 H6 Gd Na O10 -","- C20 H24 Gd4 Na4 O40 -","4","1","","Zhu, Ping; Gu, Wen; Liu, Mei-Ling; Song, Hai-Bin; Liu, Xin; Gao, Yue-Qiang; Duan, Hong-Yue; Yan, Shi-Ping; Liao, Dai-Zheng","A family of 3D lanthanide oxalatosuccinate with rare structures: 3D host framework incorporating a 3D alkali metal guest lattice","CrystEngComm","2009","11","2","351","","10.1039/b804956d","","","0.71073","MoKα","","0.0342","0.0312","","","0.0819","0.0837","","","","","","1.053","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200151","6.2755","0.0008","9.4656","0.0012","15.795","0.002","90","","93.158","0.002","90","","936.8","0.2","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H6 Eu Na O10 -","- C5 H6 Eu Na O10 -","- C20 H24 Eu4 Na4 O40 -","4","1","","Zhu, Ping; Gu, Wen; Liu, Mei-Ling; Song, Hai-Bin; Liu, Xin; Gao, Yue-Qiang; Duan, Hong-Yue; Yan, Shi-Ping; Liao, Dai-Zheng","A family of 3D lanthanide oxalatosuccinate with rare structures: 3D host framework incorporating a 3D alkali metal guest lattice","CrystEngComm","2009","11","2","351","","10.1039/b804956d","","","0.71073","MoKα","","0.0279","0.0238","","","0.0545","0.0559","","","","","","1.128","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200152","6.3","0.004","9.5","0.006","16.06","0.009","90","","92.978","0.008","90","","959.9","1","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H6 Na Nd O10 -","- C5 H2 Na Nd O10 -","- C20 H8 Na4 Nd4 O40 -","4","1","","Zhu, Ping; Gu, Wen; Liu, Mei-Ling; Song, Hai-Bin; Liu, Xin; Gao, Yue-Qiang; Duan, Hong-Yue; Yan, Shi-Ping; Liao, Dai-Zheng","A family of 3D lanthanide oxalatosuccinate with rare structures: 3D host framework incorporating a 3D alkali metal guest lattice","CrystEngComm","2009","11","2","351","","10.1039/b804956d","","","0.7107","MoKα","","0.0311","0.0257","","","0.077","0.0847","","","","","","0.657","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200153","6.21","0.004","9.381","0.005","15.633","0.009","90","","93.053","0.008","90","","909.4","0.9","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H6 N0 Na O10 Tb -","- C5 H2 Na O10 Tb -","- C20 H8 Na4 O40 Tb4 -","4","1","","Zhu, Ping; Gu, Wen; Liu, Mei-Ling; Song, Hai-Bin; Liu, Xin; Gao, Yue-Qiang; Duan, Hong-Yue; Yan, Shi-Ping; Liao, Dai-Zheng","A family of 3D lanthanide oxalatosuccinate with rare structures: 3D host framework incorporating a 3D alkali metal guest lattice","CrystEngComm","2009","11","2","351","","10.1039/b804956d","","","0.7107","MoKα","","0.0564","0.0467","","","0.0899","0.0949","","","","","","0.906","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200154","5.805","0.005","26.19","0.02","12.117","0.01","90","","91.596","0.014","90","","1841","3","296","2","296","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C40 H26 N4 O12 S Zn2 -","- C40 H24 N4 O12 S Zn2 -","- C80 H48 N8 O24 S2 Zn4 -","2","0.5","","Liu, Guang-Xiang; Huang, Rong-Yi; Huang, Liang-Fang; Kong, Xue-Jun; Ren, Xiao-Ming","Zn(ii) and Cu(ii) coordination polymers assembled from V-shaped tetracarboxylate ligands and N-donor ancillary ligands: syntheses, structures and properties","CrystEngComm","2009","11","4","643","","10.1039/b806297h","","","0.71073","MoKα","","0.1009","0.0718","","","0.1718","0.1825","","","","","","1.005","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200155","12.6202","0.0012","13.3522","0.0013","24.748","0.002","90","","97.028","0.001","90","","4138.9","0.7","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H26 F6 N4 O10 Zn2 -","- C43 H24 F6 N4 O10 Zn2 -","- C172 H96 F24 N16 O40 Zn8 -","4","1","","Liu, Guang-Xiang; Huang, Rong-Yi; Huang, Liang-Fang; Kong, Xue-Jun; Ren, Xiao-Ming","Zn(ii) and Cu(ii) coordination polymers assembled from V-shaped tetracarboxylate ligands and N-donor ancillary ligands: syntheses, structures and properties","CrystEngComm","2009","11","4","643","","10.1039/b806297h","","","0.71073","MoKα","","0.0418","0.0342","","","0.1015","0.1052","","","","","","1.002","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200156","23.337","0.0017","13.429","0.001","29.654","0.002","90","","108.503","0.001","90","","8812.9","1.1","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C93 H50 Cu3 F18 N6 O25 -","- C93 H50 Cu3 F18 N6 O25 -","- C372 H200 Cu12 F72 N24 O100 -","4","1","","Liu, Guang-Xiang; Huang, Rong-Yi; Huang, Liang-Fang; Kong, Xue-Jun; Ren, Xiao-Ming","Zn(ii) and Cu(ii) coordination polymers assembled from V-shaped tetracarboxylate ligands and N-donor ancillary ligands: syntheses, structures and properties","CrystEngComm","2009","11","4","643","","10.1039/b806297h","","","0.71073","MoKα","","0.0643","0.0445","","","0.1147","0.1235","","","","","","1.026","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200157","7.6241","0.001","15.4069","0.0019","25.531","0.003","90","","90","","90","","2999","0.6","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H19.08 Cu F6 N2 O9.54 -","- C29 H16 Cu F6 N2 O9.54 -","- C116 H64 Cu4 F24 N8 O38.16 -","4","1","","Liu, Guang-Xiang; Huang, Rong-Yi; Huang, Liang-Fang; Kong, Xue-Jun; Ren, Xiao-Ming","Zn(ii) and Cu(ii) coordination polymers assembled from V-shaped tetracarboxylate ligands and N-donor ancillary ligands: syntheses, structures and properties","CrystEngComm","2009","11","4","643","","10.1039/b806297h","","","0.71073","MoKα","","0.051","0.0391","","","0.0788","0.0839","","","","","","1.006","","","","has coordinates,has disorder","180332","2020-10-21","18:00:00",""
"7200158","19.1842","0.0019","43.462","0.004","15.4484","0.0015","90","","90","","90","","12881","2","296","2","296","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C31 H23.4 Cu2 N3 O12.7 S -","- C31 H18 Cu2 N3 O12.7 S -","- C496 H288 Cu32 N48 O203.2 S16 -","16","1","","Liu, Guang-Xiang; Huang, Rong-Yi; Huang, Liang-Fang; Kong, Xue-Jun; Ren, Xiao-Ming","Zn(ii) and Cu(ii) coordination polymers assembled from V-shaped tetracarboxylate ligands and N-donor ancillary ligands: syntheses, structures and properties","CrystEngComm","2009","11","4","643","","10.1039/b806297h","","","0.71073","MoKα","","0.0508","0.046","","","0.1258","0.1291","","","","","","1.067","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7200159","19.619","0.0012","15.5116","0.001","13.2862","0.0008","90","","94.343","0.001","90","","4031.7","0.4","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H38 N4 O18 S Zn2 -","- C36 H18 N4 O18 S Zn2 -","- C144 H72 N16 O72 S4 Zn8 -","4","0.5","","Liu, Guang-Xiang; Huang, Rong-Yi; Huang, Liang-Fang; Kong, Xue-Jun; Ren, Xiao-Ming","Zn(ii) and Cu(ii) coordination polymers assembled from V-shaped tetracarboxylate ligands and N-donor ancillary ligands: syntheses, structures and properties","CrystEngComm","2009","11","4","643","","10.1039/b806297h","","","0.71073","MoKα","","0.0913","0.0774","","","0.203","0.2089","","","","","","1.185","","","","has coordinates,has disorder","180332","2020-10-21","18:00:00",""
"7200160","10.6423","0.0018","12.354","0.002","16.323","0.003","79.113","0.003","79.926","0.004","83.023","0.002","2066.3","0.6","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H66 Cd9 N2 O52 -","- C74 H66 Cd9 N2 O52 -","- C74 H66 Cd9 N2 O52 -","1","0.5","","Zang, Shuangquan; Su, Yang; Li, Yi-Zhi; Lin, Jianguo; Duan, Xianying; Meng, Qingjin; Gao, Song","Four 2D metal‒organic networks incorporating Cd-cluster SUBs: hydrothermal synthesis, structures and photoluminescent properties","CrystEngComm","2009","11","1","122","","10.1039/b806899b","","","0.71073","MoKα","","0.0805","0.0535","","","0.1036","0.1084","","","","","","1.108","","","","has coordinates,has disorder","180332","2020-10-21","18:00:00",""
"7200161","10.2134","0.0004","11.704","0.0005","12.3421","0.0005","79.72","0.001","79.268","0.001","72.608","0.001","1371.35","0.1","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H24 Cd2 N2 O11 -","- C28 H24 Cd2 N2 O11 -","- C56 H48 Cd4 N4 O22 -","2","1","","Zang, Shuangquan; Su, Yang; Li, Yi-Zhi; Lin, Jianguo; Duan, Xianying; Meng, Qingjin; Gao, Song","Four 2D metal‒organic networks incorporating Cd-cluster SUBs: hydrothermal synthesis, structures and photoluminescent properties","CrystEngComm","2009","11","1","122","","10.1039/b806899b","","","0.71073","MoKα","","0.0584","0.0479","","","0.116","0.1192","","","","","","1.14","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200162","10.1503","0.001","15.0272","0.0015","16.7597","0.0017","66.575","0.002","77.358","0.003","81.22","0.001","2282.6","0.4","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H35 Cd4 N2 O21 -","- C45 H35 Cd4 N2 O21 -","- C90 H70 Cd8 N4 O42 -","2","1","","Zang, Shuangquan; Su, Yang; Li, Yi-Zhi; Lin, Jianguo; Duan, Xianying; Meng, Qingjin; Gao, Song","Four 2D metal‒organic networks incorporating Cd-cluster SUBs: hydrothermal synthesis, structures and photoluminescent properties","CrystEngComm","2009","11","1","122","","10.1039/b806899b","","","0.71073","MoKα","","0.0837","0.0584","","","0.1297","0.135","","","","","","1.073","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200163","10.0622","0.0006","11.1733","0.0007","13.245","0.0008","89.417","0.001","75.185","0.001","76.937","0.001","1400.56","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H22 Cd2 N4 O9 -","- C30 H22 Cd2 N4 O9 -","- C60 H44 Cd4 N8 O18 -","2","1","","Zang, Shuangquan; Su, Yang; Li, Yi-Zhi; Lin, Jianguo; Duan, Xianying; Meng, Qingjin; Gao, Song","Four 2D metal‒organic networks incorporating Cd-cluster SUBs: hydrothermal synthesis, structures and photoluminescent properties","CrystEngComm","2009","11","1","122","","10.1039/b806899b","","","0.71073","MoKα","","0.0572","0.0358","","","0.0594","0.0643","","","","","","0.934","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200164","8.9463","0.0014","12.335","0.002","12.338","0.002","90","","105.704","0.003","90","","1310.7","0.4","290","2","290","2","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","3-Cyclohexyl-1H-isochromene-1-thione","","","- C15 H16 O S -","- C15 H16 O S -","- C60 H64 O4 S4 -","4","1","","Hathwar, Venkatesha R.; Manivel, P.; Nawaz Khan, F.; Guru Row, T. N.","Evaluation of intermolecular interactions in thioisocoumarin derivatives: the role of the sulfur atom in generating packing motifs","CrystEngComm","2009","11","2","284","291","10.1039/b807896c","","x-ray","0.71073","MoKα","","0.0785","0.0454","","","0.1055","0.1173","","","","","","1.014","","","","has coordinates","218398","2020-10-21","18:00:00",""
"7200165","7.4622","0.0008","12.2143","0.0012","14.4832","0.0015","81.027","0.002","83.319","0.002","85.407","0.002","1292.5","0.2","290","2","290","2","","","","","","","see text","4","P -1","-P 1","2","3-p-tolyl-1H-isochromene-1-thione","","","- C16 H12 O S -","- C16 H12 O S -","- C64 H48 O4 S4 -","4","2","","Hathwar, Venkatesha R.; Manivel, P.; Nawaz Khan, F.; Guru Row, T. N.","Evaluation of intermolecular interactions in thioisocoumarin derivatives: the role of the sulfur atom in generating packing motifs","CrystEngComm","2009","11","2","284","291","10.1039/b807896c","","x-ray","0.71073","MoKα","","0.088","0.0564","","","0.1251","0.1371","","","","","","1.033","","","","has coordinates","218398","2020-10-21","18:00:00",""
"7200166","7.5948","0.0014","10.988","0.002","15.526","0.003","90","","96.149","0.003","90","","1288.2","0.4","290","2","290","2","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","3-(4-methoxyphenyl)-1H-isochromene-1-thione","","","- C16 H12 O2 S -","- C16 H12 O2 S -","- C64 H48 O8 S4 -","4","1","","Hathwar, Venkatesha R.; Manivel, P.; Nawaz Khan, F.; Guru Row, T. N.","Evaluation of intermolecular interactions in thioisocoumarin derivatives: the role of the sulfur atom in generating packing motifs","CrystEngComm","2009","11","2","284","291","10.1039/b807896c","","x-ray","0.71073","MoKα","","0.0525","0.0383","","","0.096","0.1032","","","","","","1.03","","","","has coordinates","218398","2020-10-21","18:00:00",""
"7200167","4.0478","0.0006","13.5257","0.0019","19.18","0.003","90","","90","","90","","1050.1","0.3","290","2","290","2","","","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","3-(2- Furyl)-1H-isochromene-1-thione","","","- C13 H8 O2 S -","- C13 H8 O2 S -","- C52 H32 O8 S4 -","4","1","","Hathwar, Venkatesha R.; Manivel, P.; Nawaz Khan, F.; Guru Row, T. N.","Evaluation of intermolecular interactions in thioisocoumarin derivatives: the role of the sulfur atom in generating packing motifs","CrystEngComm","2009","11","2","284","291","10.1039/b807896c","","x-ray","0.71073","MoKα","","0.0401","0.0323","","","0.0702","0.0722","","","","","","1.085","","","","has coordinates","218398","2020-10-21","18:00:00",""
"7200168","3.8992","0.0005","15.2947","0.0018","19.007","0.002","90","","92.701","0.002","90","","1132.3","0.2","290","2","290","2","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 O S -","- C15 H10 O S -","- C60 H40 O4 S4 -","4","1","","Hathwar, Venkatesha R.; Manivel, P.; Nawaz Khan, F.; Guru Row, T. N.","Evaluation of intermolecular interactions in thioisocoumarin derivatives: the role of the sulfur atom in generating packing motifs","CrystEngComm","2009","11","2","284","291","10.1039/b807896c","","x-ray","0.71073","MoKα","","0.1249","0.0752","","","0.1375","0.1519","","","","","","1.155","","","","has coordinates","218398","2020-10-21","18:00:00",""
"7200169","5.4076","0.001","8.536","0.002","21.321","0.004","90","","94.219","0.003","90","","981.5","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 N5 O4 P Zn -","- C6 H6 N5 O4 P Zn -","- C24 H24 N20 O16 P4 Zn4 -","4","1","","Yang, Wenbin; Lin, Xiang; Blake, Alexander J.; Wilson, Claire; Hubberstey, Peter; Champness, Neil R.; Schröder, Martin","In situ synthesis of 5-substituted-tetrazoles and metallosupramolecular co-ordination polymers","CrystEngComm","2009","11","1","67","","10.1039/b808496c","","","0.71073","MoKα","","0.0273","0.0255","","","0.0598","0.0607","","","","","","1.094","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200170","6.9577","0.0005","9.1474","0.0007","9.4756","0.0007","100.334","0.002","105.472","0.002","107.665","0.002","531.09","0.07","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H18 Cd N10 O10 P2 -","- C12 H18 Cd N10 O10 P2 -","- C12 H18 Cd N10 O10 P2 -","1","0.5","","Yang, Wenbin; Lin, Xiang; Blake, Alexander J.; Wilson, Claire; Hubberstey, Peter; Champness, Neil R.; Schröder, Martin","In situ synthesis of 5-substituted-tetrazoles and metallosupramolecular co-ordination polymers","CrystEngComm","2009","11","1","67","","10.1039/b808496c","","","0.71073","MoKα","","0.0177","0.0174","","","0.0456","0.0458","","","","","","1.06","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200171","7.148","0.0012","7.733","0.0013","8.6938","0.0015","88.434","0.003","89.527","0.003","80.241","0.002","473.42","0.14","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H20 N10 O6 Zn -","- C12 H20 N10 O6 Zn -","- C12 H20 N10 O6 Zn -","1","0.5","","Yang, Wenbin; Lin, Xiang; Blake, Alexander J.; Wilson, Claire; Hubberstey, Peter; Champness, Neil R.; Schröder, Martin","In situ synthesis of 5-substituted-tetrazoles and metallosupramolecular co-ordination polymers","CrystEngComm","2009","11","1","67","","10.1039/b808496c","","","0.71073","MoKα","","0.025","0.0247","","","0.0636","0.0638","","","","","","1.12","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200172","21.546","0.006","6.928","0.002","11.201","0.003","90","","95.737","0.005","90","","1663.6","0.8","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H16 N10 O6 Zn -","- C12 H16 N10 O6 Zn -","- C48 H64 N40 O24 Zn4 -","4","0.5","","Yang, Wenbin; Lin, Xiang; Blake, Alexander J.; Wilson, Claire; Hubberstey, Peter; Champness, Neil R.; Schröder, Martin","In situ synthesis of 5-substituted-tetrazoles and metallosupramolecular co-ordination polymers","CrystEngComm","2009","11","1","67","","10.1039/b808496c","","","0.71073","MoKα","","0.0357","0.0313","","","0.0795","0.0827","","","","","","1.049","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200173","21.403","0.003","6.9036","0.0009","11.1612","0.0014","90","","95.837","0.002","90","","1640.6","0.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H16 N10 Ni O6 -","- C12 H16 N10 Ni O6 -","- C48 H64 N40 Ni4 O24 -","4","0.5","","Yang, Wenbin; Lin, Xiang; Blake, Alexander J.; Wilson, Claire; Hubberstey, Peter; Champness, Neil R.; Schröder, Martin","In situ synthesis of 5-substituted-tetrazoles and metallosupramolecular co-ordination polymers","CrystEngComm","2009","11","1","67","","10.1039/b808496c","","","0.71073","MoKα","","0.0356","0.0301","","","0.0767","0.0801","","","","","","1.05","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200174","6.659","0.0008","8.1864","0.001","14.14","0.002","90","","90.398","0.002","90","","770.8","0.17","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H6 N2 O5 -","- C6 H6 N2 O5 -","- C24 H24 N8 O20 -","4","1","","Yang, Wenbin; Lin, Xiang; Blake, Alexander J.; Wilson, Claire; Hubberstey, Peter; Champness, Neil R.; Schröder, Martin","In situ synthesis of 5-substituted-tetrazoles and metallosupramolecular co-ordination polymers","CrystEngComm","2009","11","1","67","","10.1039/b808496c","","","0.71073","MoKα","","0.05","0.0313","","","0.07","0.0754","","","","","","1","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200175","18.947","0.003","9.033","0.0014","9.4944","0.0014","90","","92.736","0.002","90","","1623.1","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H18 N2 O10 P2 -","- C10 H18 N2 O10 P2 -","- C40 H72 N8 O40 P8 -","4","1","","Yang, Wenbin; Lin, Xiang; Blake, Alexander J.; Wilson, Claire; Hubberstey, Peter; Champness, Neil R.; Schröder, Martin","In situ synthesis of 5-substituted-tetrazoles and metallosupramolecular co-ordination polymers","CrystEngComm","2009","11","1","67","","10.1039/b808496c","","","0.71073","MoKα","","0.0501","0.0453","","","0.118","0.124","","","","","","1.04","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200180","18.991","0.004","9.987","0.002","24.707","0.005","90","","100.697","0.003","90","","4604.6","1.6","294","2","294","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H16 Au2 Cd N6 O2 -","- C19 H16 Au2 Cd N6 O2 -","- C152 H128 Au16 Cd8 N48 O16 -","8","1","","Guo, Yang; Liu, Zhan-Quan; Zhao, Bin; Feng, Yu-Hua; Xu, Gong-Feng; Yan, Shi-Ping; Cheng, Peng; Wang, Qing-Lun; Liao, Dai-Zheng","Two [Au(CN)2]−-bridged heterometallic coordination polymers directed by different 2,2′-bipyridyl-like ligands","CrystEngComm","2009","11","1","61","","10.1039/b809381d","","","0.71073","MoKα","","0.0963","0.0636","","","0.153","0.1705","","","","","","1.03","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200181","8.9349","0.0019","8.9349","0.0019","19.992","0.004","90","","90","","120","","1382.2","0.5","294","2","294","2","","","","","","","","5","P 31 1 2","P 31 2 (0 0 4)","151","","","","- C14 H8 Au2 Cd N6 -","- C14 H8 Au2 Cd N6 -","- C42 H24 Au6 Cd3 N18 -","3","0.5","","Guo, Yang; Liu, Zhan-Quan; Zhao, Bin; Feng, Yu-Hua; Xu, Gong-Feng; Yan, Shi-Ping; Cheng, Peng; Wang, Qing-Lun; Liao, Dai-Zheng","Two [Au(CN)2]−-bridged heterometallic coordination polymers directed by different 2,2′-bipyridyl-like ligands","CrystEngComm","2009","11","1","61","","10.1039/b809381d","","","0.71073","MoKα","","0.0555","0.0346","","","0.0589","0.0654","","","","","","0.968","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200182","23.9993","0.0019","10.2755","0.0008","7.4265","0.0007","90","","90","","90","","1831.4","0.3","296","2","296","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C4 H16 Mn2 N18 O7 -","- C4 H16 Mn2 N18 O7 -","- C16 H64 Mn8 N72 O28 -","4","1","","Lin, Jiao-Min; Huang, Bei-Shu; Guan, Yang-Fan; Liu, Zhao-Qing; Wang, Dong-Yao; Dong, Wen","Syntheses, structures and properties of seven H2BTA coordinating 3-D metallic complexes containing 0-, 1-, 2-, and 3-D frameworks (H2BTA = bis(tetrazolyl)amine)","CrystEngComm","2009","11","2","329","","10.1039/b809415b","","","0.71073","MoKα","","0.0218","0.0211","","","0.0601","0.0605","","","","","","1","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200183","9.476","0.0012","9.4375","0.0011","8.2912","0.001","90","","109.035","0.007","90","","700.94","0.15","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H6 Co N18 Na2 O2 -","- C4 H6 Co N18 Na2 O2 -","- C8 H12 Co2 N36 Na4 O4 -","2","0.5","","Lin, Jiao-Min; Huang, Bei-Shu; Guan, Yang-Fan; Liu, Zhao-Qing; Wang, Dong-Yao; Dong, Wen","Syntheses, structures and properties of seven H2BTA coordinating 3-D metallic complexes containing 0-, 1-, 2-, and 3-D frameworks (H2BTA = bis(tetrazolyl)amine)","CrystEngComm","2009","11","2","329","","10.1039/b809415b","","","0.71073","MoKα","","0.0281","0.0245","","","0.0621","0.0644","","","","","","1.072","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7200184","6.3962","0.0001","9.2177","0.0002","14.241","0.0003","90","","93.831","0.001","90","","837.75","0.03","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C2 H5 Cu N9 O2 -","- C2 H5 Cu N9 O2 -","- C8 H20 Cu4 N36 O8 -","4","1","","Lin, Jiao-Min; Huang, Bei-Shu; Guan, Yang-Fan; Liu, Zhao-Qing; Wang, Dong-Yao; Dong, Wen","Syntheses, structures and properties of seven H2BTA coordinating 3-D metallic complexes containing 0-, 1-, 2-, and 3-D frameworks (H2BTA = bis(tetrazolyl)amine)","CrystEngComm","2009","11","2","329","","10.1039/b809415b","","","0.71073","MoKα","","0.0297","0.0274","","","0.074","0.0755","","","","","","1.077","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200185","11.3207","0.0003","13.0862","0.0004","15.3142","0.0004","90","","102.104","0.002","90","","2218.28","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H28 Co2 N54 O9 -","- C12 H28 Co2 N54 O9 -","- C24 H56 Co4 N108 O18 -","2","0.5","","Lin, Jiao-Min; Huang, Bei-Shu; Guan, Yang-Fan; Liu, Zhao-Qing; Wang, Dong-Yao; Dong, Wen","Syntheses, structures and properties of seven H2BTA coordinating 3-D metallic complexes containing 0-, 1-, 2-, and 3-D frameworks (H2BTA = bis(tetrazolyl)amine)","CrystEngComm","2009","11","2","329","","10.1039/b809415b","","","0.71073","MoKα","","0.0493","0.0423","","","0.1144","0.1197","","","","","","1.074","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200186","6.4026","0.0007","9.7202","0.0009","10.5861","0.0009","90","","95.079","0.005","90","","656.23","0.11","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C2 H3 Mn N9 O -","- C2 H3 Mn N9 O -","- C8 H12 Mn4 N36 O4 -","4","1","","Lin, Jiao-Min; Huang, Bei-Shu; Guan, Yang-Fan; Liu, Zhao-Qing; Wang, Dong-Yao; Dong, Wen","Syntheses, structures and properties of seven H2BTA coordinating 3-D metallic complexes containing 0-, 1-, 2-, and 3-D frameworks (H2BTA = bis(tetrazolyl)amine)","CrystEngComm","2009","11","2","329","","10.1039/b809415b","","","0.71073","MoKα","","0.0298","0.028","","","0.071","0.0718","","","","","","1.081","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200187","9.4412","0.0002","9.6151","0.0002","8.6398","0.0002","90","","108.874","0.002","90","","742.13","0.03","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H6 Mn N18 Na2 O2 -","- C4 H6 Mn N18 Na2 O2 -","- C8 H12 Mn2 N36 Na4 O4 -","2","0.5","","Lin, Jiao-Min; Huang, Bei-Shu; Guan, Yang-Fan; Liu, Zhao-Qing; Wang, Dong-Yao; Dong, Wen","Syntheses, structures and properties of seven H2BTA coordinating 3-D metallic complexes containing 0-, 1-, 2-, and 3-D frameworks (H2BTA = bis(tetrazolyl)amine)","CrystEngComm","2009","11","2","329","","10.1039/b809415b","","","0.71073","MoKα","","0.043","0.0322","","","0.0724","0.0772","","","","","","1.057","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200188","14.3137","0.0003","14.3137","0.0003","13.7292","0.0007","90","","90","","120","","2436.01","0.14","296","2","296","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C12 H32 Mn7 N54 O14 -","- C12 H24 Mn7 N54 O14 -","- C24 H48 Mn14 N108 O28 -","2","0.166667","","Lin, Jiao-Min; Huang, Bei-Shu; Guan, Yang-Fan; Liu, Zhao-Qing; Wang, Dong-Yao; Dong, Wen","Syntheses, structures and properties of seven H2BTA coordinating 3-D metallic complexes containing 0-, 1-, 2-, and 3-D frameworks (H2BTA = bis(tetrazolyl)amine)","CrystEngComm","2009","11","2","329","","10.1039/b809415b","","","0.71073","MoKα","","0.0231","0.0218","","","0.0653","0.0662","","","","","","1.056","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200189","12.4745","0.0004","12.4745","0.0004","26.721","0.002","90","","90","","90","","4158.1","0.4","185","2","185","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C20 H22 Cu N3 O6.5 -","- C20 H21 Cu N3 O6.5 -","- C160 H168 Cu8 N24 O52 -","8","1","","Wang, Guan-Hua; Li, Zhi-Gang; Jia, Heng-Qing; Hu, Ning-Hai; Xu, Jing-Wei","Metal‒organic frameworks based on the pyridine-2,3-dicarboxylate and a flexible bispyridyl ligand: syntheses, structures, and photoluminescence","CrystEngComm","2009","11","2","292","","10.1039/b809557d","","","0.71073","MoKα","","0.0458","0.0363","","","0.0899","0.0946","","","","","","1.066","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7200190","14.6453","0.0012","16.9993","0.0013","10.4297","0.0008","90","","120.913","0.001","90","","2227.7","0.3","185","2","185","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C20 H25 Cd N3 O8 -","- C20 H25 Cd N3 O8 -","- C80 H100 Cd4 N12 O32 -","4","1","","Wang, Guan-Hua; Li, Zhi-Gang; Jia, Heng-Qing; Hu, Ning-Hai; Xu, Jing-Wei","Metal‒organic frameworks based on the pyridine-2,3-dicarboxylate and a flexible bispyridyl ligand: syntheses, structures, and photoluminescence","CrystEngComm","2009","11","2","292","","10.1039/b809557d","","","0.71073","MoKα","","0.0175","0.0172","","","0.0413","0.0415","","","","","","1.057","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200191","12.5412","0.0009","12.5412","0.0009","27.227","0.004","90","","90","","90","","4282.3","0.8","185","2","185","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C20 H22 N3 O6.5 Zn -","- C20 H19.6 N3 O6.5 Zn -","- C160 H156.8 N24 O52 Zn8 -","8","1","","Wang, Guan-Hua; Li, Zhi-Gang; Jia, Heng-Qing; Hu, Ning-Hai; Xu, Jing-Wei","Metal‒organic frameworks based on the pyridine-2,3-dicarboxylate and a flexible bispyridyl ligand: syntheses, structures, and photoluminescence","CrystEngComm","2009","11","2","292","","10.1039/b809557d","","","0.71073","MoKα","","0.0992","0.0674","","","0.1739","0.1918","","","","","","1.013","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7200193","12.18","0.004","7.501","0.003","14.277","0.005","90","","100.286","0.007","90","","1283.4","0.8","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 N4 O2 -","- C14 H10 N4 O2 -","- C56 H40 N16 O8 -","4","1","","Ramana, C. V.; Chatterjee, Soumitra; Durugkar, Kulbhushan A.; Gonnade, Rajesh G.","“Click” synthesis of isomeric compounds for assessing the efficiency of the bifurcated Br⋯NO2 synthon","CrystEngComm","2009","11","1","143","","10.1039/b809985e","","","0.71073","MoKα","","0.0997","0.0619","","","0.1304","0.1475","","","","","","1.098","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200194","12.388","0.013","8.051","0.009","14.256","0.015","90","","103.305","0.018","90","","1384","3","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H9 Br N4 O2 -","- C14 H9 Br N4 O2 -","- C56 H36 Br4 N16 O8 -","4","1","","Ramana, C. V.; Chatterjee, Soumitra; Durugkar, Kulbhushan A.; Gonnade, Rajesh G.","“Click” synthesis of isomeric compounds for assessing the efficiency of the bifurcated Br⋯NO2 synthon","CrystEngComm","2009","11","1","143","","10.1039/b809985e","","","0.71073","MoKα","","0.0699","0.0466","","","0.1245","0.1376","","","","","","0.96","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200195","9.2835","0.0011","7.2943","0.0009","20.794","0.002","90","","97.444","0.002","90","","1396.2","0.3","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H9 Br N4 O2 -","- C14 H9 Br N4 O2 -","- C56 H36 Br4 N16 O8 -","4","1","","Ramana, C. V.; Chatterjee, Soumitra; Durugkar, Kulbhushan A.; Gonnade, Rajesh G.","“Click” synthesis of isomeric compounds for assessing the efficiency of the bifurcated Br⋯NO2 synthon","CrystEngComm","2009","11","1","143","","10.1039/b809985e","","","0.71073","MoKα","","0.0518","0.0369","","","0.0876","0.0942","","","","","","1.03","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200196","5.4468","0.0009","20.778","0.003","12.482","0.002","90","","102.427","0.003","90","","1379.5","0.4","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 Br N4 O2 -","- C14 H9 Br N4 O2 -","- C56 H36 Br4 N16 O8 -","4","1","","Ramana, C. V.; Chatterjee, Soumitra; Durugkar, Kulbhushan A.; Gonnade, Rajesh G.","“Click” synthesis of isomeric compounds for assessing the efficiency of the bifurcated Br⋯NO2 synthon","CrystEngComm","2009","11","1","143","","10.1039/b809985e","","","0.71073","MoKα","","0.0503","0.0361","","","0.0823","0.0889","","","","","","1.045","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200197","8.502","0.003","5.3559","0.0018","27.363","0.009","90","","95.564","0.006","90","","1240.1","0.7","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 N4 O2 -","- C14 H10 N4 O2 -","- C56 H40 N16 O8 -","4","1","","Ramana, C. V.; Chatterjee, Soumitra; Durugkar, Kulbhushan A.; Gonnade, Rajesh G.","“Click” synthesis of isomeric compounds for assessing the efficiency of the bifurcated Br⋯NO2 synthon","CrystEngComm","2009","11","1","143","","10.1039/b809985e","","","0.71073","MoKα","","0.0655","0.0525","","","0.126","0.1328","","","","","","1.038","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200198","7.228","0.007","13.308","0.013","14.521","0.015","90","","93.675","0.019","90","","1394","2","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H9 Br N4 O2 -","- C14 H9 Br N4 O2 -","- C56 H36 Br4 N16 O8 -","4","1","","Ramana, C. V.; Chatterjee, Soumitra; Durugkar, Kulbhushan A.; Gonnade, Rajesh G.","“Click” synthesis of isomeric compounds for assessing the efficiency of the bifurcated Br⋯NO2 synthon","CrystEngComm","2009","11","1","143","","10.1039/b809985e","","","0.71073","MoKα","","0.1755","0.1357","","","0.3958","0.4175","","","","","","1.141","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200199","7.4402","0.0006","12.4535","0.001","14.6016","0.0012","91.272","0.001","98.994","0.001","96.309","0.001","1327.14","0.19","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H9 Br N4 O2 -","- C14 H9 Br N4 O2 -","- C56 H36 Br4 N16 O8 -","4","2","","Ramana, C. V.; Chatterjee, Soumitra; Durugkar, Kulbhushan A.; Gonnade, Rajesh G.","“Click” synthesis of isomeric compounds for assessing the efficiency of the bifurcated Br⋯NO2 synthon","CrystEngComm","2009","11","1","143","","10.1039/b809985e","","","0.71073","MoKα","","0.0492","0.0342","","","0.0785","0.0847","","","","","","1.023","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200200","8.667","0.003","5.2323","0.0018","30.304","0.011","90","","96.248","0.006","90","","1366.1","0.8","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H9 Br N4 O2 -","- C14 H9 Br N4 O2 -","- C56 H36 Br4 N16 O8 -","4","1","","Ramana, C. V.; Chatterjee, Soumitra; Durugkar, Kulbhushan A.; Gonnade, Rajesh G.","“Click” synthesis of isomeric compounds for assessing the efficiency of the bifurcated Br⋯NO2 synthon","CrystEngComm","2009","11","1","143","","10.1039/b809985e","","","0.71073","MoKα","","0.0675","0.0459","","","0.1064","0.1186","","","","","","1.034","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200201","5.757","0.002","7.198","0.003","14.862","0.006","101.081","0.006","99.217","0.006","90.859","0.006","595.9","0.4","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H10 N4 O2 -","- C14 H10 N4 O2 -","- C28 H20 N8 O4 -","2","1","","Ramana, C. V.; Chatterjee, Soumitra; Durugkar, Kulbhushan A.; Gonnade, Rajesh G.","“Click” synthesis of isomeric compounds for assessing the efficiency of the bifurcated Br⋯NO2 synthon","CrystEngComm","2009","11","1","143","","10.1039/b809985e","","","0.71073","MoKα","","0.0414","0.0363","","","0.0996","0.1042","","","","","","1.06","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200202","29.52","0.02","7.057","0.005","13.022","0.009","90","","97.405","0.012","90","","2690","3","297","2","297","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H9 Br N4 O2 -","- C14 H9 Br N4 O2 -","- C112 H72 Br8 N32 O16 -","8","1","","Ramana, C. V.; Chatterjee, Soumitra; Durugkar, Kulbhushan A.; Gonnade, Rajesh G.","“Click” synthesis of isomeric compounds for assessing the efficiency of the bifurcated Br⋯NO2 synthon","CrystEngComm","2009","11","1","143","","10.1039/b809985e","","","0.71073","MoKα","","0.0556","0.0385","","","0.0953","0.1037","","","","","","1.01","","","","has coordinates,has disorder","180333","2020-10-21","18:00:00",""
"7200203","7.5222","0.0008","14.1697","0.0015","13.0479","0.0014","90","","90.391","0.002","90","","1390.7","0.3","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 Br N4 O2 -","- C14 H9 Br N4 O2 -","- C56 H36 Br4 N16 O8 -","4","1","","Ramana, C. V.; Chatterjee, Soumitra; Durugkar, Kulbhushan A.; Gonnade, Rajesh G.","“Click” synthesis of isomeric compounds for assessing the efficiency of the bifurcated Br⋯NO2 synthon","CrystEngComm","2009","11","1","143","","10.1039/b809985e","","","0.71073","MoKα","","0.0547","0.0387","","","0.0958","0.1033","","","","","","1.041","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200204","9.6141","0.0015","12.0915","0.0019","12.9","0.002","87.535","0.002","71.407","0.002","76.183","0.002","1379.3","0.4","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H9 Br N4 O2 -","- C14 H9 Br N4 O2 -","- C56 H36 Br4 N16 O8 -","4","2","","Ramana, C. V.; Chatterjee, Soumitra; Durugkar, Kulbhushan A.; Gonnade, Rajesh G.","“Click” synthesis of isomeric compounds for assessing the efficiency of the bifurcated Br⋯NO2 synthon","CrystEngComm","2009","11","1","143","","10.1039/b809985e","","","0.71073","MoKα","","0.0674","0.0429","","","0.1159","0.1284","","","","","","1.019","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200207","8.3614","0.0007","10.4963","0.0009","11.71","0.001","82.114","0.002","86.716","0.002","66.74","0.002","935.25","0.14","294","2","294","2","","","","","","","","3","P -1","-P 1","2","bis(triphenylmethanol) 1,4,7,10-tetraoxacyclooctadecane clathrate","bis(triphenylmethanol) 1,4,7,10-tetraoxacyclooctadecane clathrate","","- C46 H48 O6 -","- C46 H48 O6 -","- C46 H48 O6 -","1","0.5","","Fonari, Marina S.; Simonov, Yurii A.; Wang, Wen-Jwu; Tang, Shang-Wei; Ganin, Eduard V.","Inclusion of triphenylmethane derivatives by crown and linear O-containing molecules : selective interactions and crystal structures","CrystEngComm","2009","11","1","94","","10.1039/b810076d","","","0.71073","MoKα","","0.0554","0.0476","","","0.1382","0.1466","","","","","","1.06","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200208","17.069","0.004","10.694","0.003","26.52","0.007","90","","107.367","0.005","90","","4620","2","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","triphenylmethanaminium trifluoroacetate 2-methoxyethanol clathrate","triphenylmethanaminium trifluoroacetate 2-methoxyethanol clathrate","","- C24 H26 F3 N O4 -","- C24 H26 F3 N O4 -","- C192 H208 F24 N8 O32 -","8","1","","Fonari, Marina S.; Simonov, Yurii A.; Wang, Wen-Jwu; Tang, Shang-Wei; Ganin, Eduard V.","Inclusion of triphenylmethane derivatives by crown and linear O-containing molecules : selective interactions and crystal structures","CrystEngComm","2009","11","1","94","","10.1039/b810076d","","","0.71073","MoKα","","0.0679","0.0428","","","0.1215","0.1344","","","","","","1.011","","","","has coordinates,has disorder","180333","2020-10-21","18:00:00",""
"7200209","8.4707","0.0006","12.4699","0.0009","12.86","0.0009","115.372","0.001","97.929","0.001","99.54","0.001","1176.63","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","bis(3-(hydroxy(diphenyl)methyl)benzenesulfonamide) 1,4,7,10,13,16-hexaoxacyclooctadecane clathrate","bis{3-[hydroxy(diphenyl)methyl]benzenesulfonamide} 1,4,7,10,13,16-hexaoxacyclooctadecane clathrate","","- C50 H58 N2 O12 S2 -","- C50 H58 N2 O12 S2 -","- C50 H58 N2 O12 S2 -","1","0.5","","Fonari, Marina S.; Simonov, Yurii A.; Wang, Wen-Jwu; Tang, Shang-Wei; Ganin, Eduard V.","Inclusion of triphenylmethane derivatives by crown and linear O-containing molecules : selective interactions and crystal structures","CrystEngComm","2009","11","1","94","","10.1039/b810076d","","","0.71073","MoKα","","0.0548","0.0393","","","0.0963","0.1025","","","","","","0.925","","","","has coordinates,has disorder","180333","2020-10-21","18:00:00",""
"7200210","14.7301","0.0015","16.1984","0.0016","9.729","0.001","90","","103.973","0.002","90","","2252.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis (triphenylmethanaminium thiocyanate) 1,4,7,10- tetraoxacyclododecane clathrate","bis (triphenylmethanaminium thiocyanate) 1,4,7,10-tetraoxacyclododecane clathrate","","- C48 H52 N4 O4 S2 -","- C48 H52 N4 O4 S2 -","- C96 H104 N8 O8 S4 -","2","0.5","","Fonari, Marina S.; Simonov, Yurii A.; Wang, Wen-Jwu; Tang, Shang-Wei; Ganin, Eduard V.","Inclusion of triphenylmethane derivatives by crown and linear O-containing molecules : selective interactions and crystal structures","CrystEngComm","2009","11","1","94","","10.1039/b810076d","","","0.71073","MoKα","","0.162","0.0537","","","0.1173","0.1326","","","","","","0.831","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200211","8.4675","0.0008","10.2973","0.0013","11.943","0.002","84.058","0.009","88.008","0.012","67.966","0.008","960.1","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","bis(1,1,1-triphenylmethanamine) 1,4,7,10-teraoxacyclododecane clathrate","bis(1,1,1-triphenylmethanamine) 1,4,7,10-teraoxacyclododecane clathrate","","- C46 H50 N2 O4 -","- C46 H50 N2 O4 -","- C46 H50 N2 O4 -","1","0.5","","Fonari, Marina S.; Simonov, Yurii A.; Wang, Wen-Jwu; Tang, Shang-Wei; Ganin, Eduard V.","Inclusion of triphenylmethane derivatives by crown and linear O-containing molecules : selective interactions and crystal structures","CrystEngComm","2009","11","1","94","","10.1039/b810076d","","","0.71073","MoKα","","0.0565","0.0412","","","0.111","0.1184","","","","","","1.042","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200212","21.179","0.0005","17.0734","0.0004","16.6258","0.0004","90","","114.634","0.001","90","","5464.7","0.2","140","2","140","2","","","","","","","","5","C 1 c 1","C -2yc","9","cocrystal pentafluorophenol * pentafluoroaniline 6:3","cocrystal pentafluorophenol * pentafluoroaniline 6:3","","- C18 H4 F15 N O2 -","- C18 H4 F15 N O2 -","- C216 H48 F180 N12 O24 -","12","3","","Kirchner, Michael T.; Bläser, Dieter; Boese, Roland; Desiraju, Gautam R.","Additive induced polymorphism. The pentafluorophenol‒pentafluoroaniline system","CrystEngComm","2009","11","2","229","231","10.1039/b810088h","","","0.71073","MoKα","","0.0826","0.0446","","","0.1293","0.1612","","","","","","1.011","","","","has coordinates","218383","2020-10-21","18:00:00",""
"7200213","8.8779","0.0014","14.465","0.002","13.422","0.002","90","","108.114","0.003","90","","1638.2","0.4","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17.5 H16 Ag B F4 N2 -","- C17.5 H8 Ag B F4 N2 -","- C70 H32 Ag4 B4 F16 N8 -","4","1","","MacKinnon, Craig D.; Parent, Shawna L. M.; Mawhinney, Robert C.; Assoud, Abdeljalil; Robertson, Craig M.","5,5′-Dicyano-2,2′-bithiophene and 3,3′-dicyanobiphenyl: off-axis rod-like ligands for silver(I)","CrystEngComm","2009","11","1","160","","10.1039/b810479d","","","0.71073","MoKα","","0.0425","0.0384","","","0.0949","0.0979","","","","","","1.08","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7200214","7.4242","0.0006","19.9968","0.0017","12.8576","0.001","90","","92.527","0.002","90","","1907","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 Ag Cl N2 O4 -","- C20 H14 Ag Cl N2 O4 -","- C80 H56 Ag4 Cl4 N8 O16 -","4","1","","MacKinnon, Craig D.; Parent, Shawna L. M.; Mawhinney, Robert C.; Assoud, Abdeljalil; Robertson, Craig M.","5,5′-Dicyano-2,2′-bithiophene and 3,3′-dicyanobiphenyl: off-axis rod-like ligands for silver(I)","CrystEngComm","2009","11","1","160","","10.1039/b810479d","","","0.71073","MoKα","","0.053","0.0422","","","0.0894","0.0941","","","","","","1.28","","","","has coordinates,has disorder","180333","2020-10-21","18:00:00",""
"7200215","3.809","0.0002","7.4518","0.0004","8.2086","0.0005","87.936","0.001","85.485","0.001","82.126","0.001","230","0.02","173","2","173","2","","","","","","","","4","P -1","-P 1","2","T2CN2","","","- C10 H4 N2 S2 -","- C10 H4 N2 S2 -","- C10 H4 N2 S2 -","1","0.5","","MacKinnon, Craig D.; Parent, Shawna L. M.; Mawhinney, Robert C.; Assoud, Abdeljalil; Robertson, Craig M.","5,5′-Dicyano-2,2′-bithiophene and 3,3′-dicyanobiphenyl: off-axis rod-like ligands for silver(I)","CrystEngComm","2009","11","1","160","","10.1039/b810479d","","","0.71073","MoKα","","0.0254","0.0236","","","0.058","0.0595","","","","","","1.077","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200216","13.6376","0.0019","13.6376","0.0019","6.2054","0.0017","90","","90","","90","","1154.1","0.4","200","2","200","2","","","","","","","","7","P 4/n :2","-P 4a","85","","","","- C20 H8 Ag B F4 N4 S4 -","- C20 H8 Ag B F4 N4 S4 -","- C40 H16 Ag2 B2 F8 N8 S8 -","2","0.25","","MacKinnon, Craig D.; Parent, Shawna L. M.; Mawhinney, Robert C.; Assoud, Abdeljalil; Robertson, Craig M.","5,5′-Dicyano-2,2′-bithiophene and 3,3′-dicyanobiphenyl: off-axis rod-like ligands for silver(I)","CrystEngComm","2009","11","1","160","","10.1039/b810479d","","","0.71073","MoKα","","0.0455","0.04","","","0.0866","0.0885","","","","","","1.348","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200217","13.834","0.005","13.834","0.005","6.162","0.004","90","","90","","90","","1179.3","1","296","2","296","2","","","","","","","","7","P 4/n :2","-P 4a","85","","","","- C20 H8 Ag Cl N4 O4 S4 -","- C20 H8 Ag Cl N4 O4 S4 -","- C40 H16 Ag2 Cl2 N8 O8 S8 -","2","0.25","","MacKinnon, Craig D.; Parent, Shawna L. M.; Mawhinney, Robert C.; Assoud, Abdeljalil; Robertson, Craig M.","5,5′-Dicyano-2,2′-bithiophene and 3,3′-dicyanobiphenyl: off-axis rod-like ligands for silver(I)","CrystEngComm","2009","11","1","160","","10.1039/b810479d","","","0.71073","MoKα","","0.0358","0.0299","","","0.0715","0.0759","","","","","","1.342","","","","has coordinates,has disorder","180333","2020-10-21","18:00:00",""
"7200218","12.4505","0.0015","24.448","0.003","19.153","0.002","90","","104.069","0.004","90","","5655.1","1.1","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H24 N2 O4 -","- C20 H24 N2 O4 -","- C240 H288 N24 O48 -","12","6","","Skovsgaard, Signe; Bond, Andrew D.","Co-crystallisation of benzoic acid derivatives with N-containing bases in solution and by mechanical grinding: stoichiometric variants, polymorphism and twinning","CrystEngComm","2009","11","3","444","453","10.1039/b810660f","","","0.71073","MoKα","","0.1856","0.0636","","","0.1519","0.1978","","","","","","0.947","","","","has coordinates","218433","2020-10-21","18:00:00",""
"7200219","9.2621","0.0006","11.5931","0.0007","34.72","0.002","90","","90","","90","","3728.1","0.4","180","2","180","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H24 N2 O4 -","- C20 H24 N2 O4 -","- C160 H192 N16 O32 -","8","1","","Skovsgaard, Signe; Bond, Andrew D.","Co-crystallisation of benzoic acid derivatives with N-containing bases in solution and by mechanical grinding: stoichiometric variants, polymorphism and twinning","CrystEngComm","2009","11","3","444","453","10.1039/b810660f","","","0.71073","MoKα","","0.0572","0.0377","","","0.0965","0.106","","","","","","1.048","","","","has coordinates","218433","2020-10-21","18:00:00",""
"7200220","8.346","0.002","8.243","0.002","24.679","0.006","90","","90","","90","","1697.8","0.7","180","2","180","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H22 N2 O4 -","- C18 H22 N2 O4 -","- C72 H88 N8 O16 -","4","0.5","","Skovsgaard, Signe; Bond, Andrew D.","Co-crystallisation of benzoic acid derivatives with N-containing bases in solution and by mechanical grinding: stoichiometric variants, polymorphism and twinning","CrystEngComm","2009","11","3","444","453","10.1039/b810660f","","","0.71073","MoKα","","0.1301","0.0671","","","0.1652","0.1917","","","","","","1.056","","","","has coordinates","218433","2020-10-21","18:00:00",""
"7200221","13.9348","0.0018","8.862","0.0011","14.1261","0.0017","90","","100.712","0.004","90","","1714","0.4","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N3 O4 -","- C18 H17 N3 O4 -","- C72 H68 N12 O16 -","4","1","","Skovsgaard, Signe; Bond, Andrew D.","Co-crystallisation of benzoic acid derivatives with N-containing bases in solution and by mechanical grinding: stoichiometric variants, polymorphism and twinning","CrystEngComm","2009","11","3","444","453","10.1039/b810660f","","","0.71073","MoKα","","0.1135","0.0339","","","0.0612","0.0674","","","","","","0.682","","","","has coordinates","218433","2020-10-21","18:00:00",""
"7200222","12.5428","0.001","34.337","0.003","3.873","0.0003","90","","90","","90","","1668","0.2","180","2","180","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C18 H17 N3 O4 -","- C18 H17 N3 O4 -","- C72 H68 N12 O16 -","4","0.5","","Skovsgaard, Signe; Bond, Andrew D.","Co-crystallisation of benzoic acid derivatives with N-containing bases in solution and by mechanical grinding: stoichiometric variants, polymorphism and twinning","CrystEngComm","2009","11","3","444","453","10.1039/b810660f","","","0.71073","MoKα","","0.0446","0.0306","","","0.0712","0.0767","","","","","","1.045","","","","has coordinates","218433","2020-10-21","18:00:00",""
"7200223","5.3467","0.0004","17.2757","0.0013","11.5764","0.0009","90","","90.98","0.003","90","","1069.13","0.14","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 N3 O2 -","- C11 H11 N3 O2 -","- C44 H44 N12 O8 -","4","1","","Skovsgaard, Signe; Bond, Andrew D.","Co-crystallisation of benzoic acid derivatives with N-containing bases in solution and by mechanical grinding: stoichiometric variants, polymorphism and twinning","CrystEngComm","2009","11","3","444","453","10.1039/b810660f","","","0.71073","MoKα","","0.0486","0.0416","","","0.1154","0.1178","","","","","","1.155","","","","has coordinates","218433","2020-10-21","18:00:00",""
"7200224","17.7236","0.0006","22.0059","0.0007","9.8501","0.0003","90","","90","","90","","3841.8","0.2","180","2","180","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C20 H24 N2 O6 -","- C20 H24 N2 O6 -","- C160 H192 N16 O48 -","8","1","","Skovsgaard, Signe; Bond, Andrew D.","Co-crystallisation of benzoic acid derivatives with N-containing bases in solution and by mechanical grinding: stoichiometric variants, polymorphism and twinning","CrystEngComm","2009","11","3","444","453","10.1039/b810660f","","","0.71073","MoKα","","0.0552","0.0431","","","0.1166","0.1273","","","","","","1.029","","","","has coordinates","218433","2020-10-21","18:00:00",""
"7200225","13.0229","0.0013","3.8561","0.0003","22.048","0.002","90","","104.322","0.004","90","","1072.79","0.17","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 N2 O6 -","- C26 H20 N2 O6 -","- C52 H40 N4 O12 -","2","0.5","","Skovsgaard, Signe; Bond, Andrew D.","Co-crystallisation of benzoic acid derivatives with N-containing bases in solution and by mechanical grinding: stoichiometric variants, polymorphism and twinning","CrystEngComm","2009","11","3","444","453","10.1039/b810660f","","","0.71073","MoKα","","0.0434","0.0314","","","0.0816","0.0882","","","","","","1.041","","","","has coordinates","218433","2020-10-21","18:00:00",""
"7200226","11.59","0.003","13.283","0.003","13.73","0.003","90","","90","","90","","2113.7","0.9","180","2","180","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H26 N2 O8 -","- C22 H26 N2 O8 -","- C88 H104 N8 O32 -","4","0.5","","Skovsgaard, Signe; Bond, Andrew D.","Co-crystallisation of benzoic acid derivatives with N-containing bases in solution and by mechanical grinding: stoichiometric variants, polymorphism and twinning","CrystEngComm","2009","11","3","444","453","10.1039/b810660f","","","0.71073","MoKα","","0.074","0.0395","","","0.0852","0.0963","","","","","","1.053","","","","has coordinates","218433","2020-10-21","18:00:00",""
"7200227","7.5378","0.0009","7.9689","0.0008","9.6533","0.0012","70.378","0.004","77.017","0.004","79.533","0.004","528.64","0.11","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H26 N2 O8 -","- C22 H26 N2 O8 -","- C22 H26 N2 O8 -","1","0.5","","Skovsgaard, Signe; Bond, Andrew D.","Co-crystallisation of benzoic acid derivatives with N-containing bases in solution and by mechanical grinding: stoichiometric variants, polymorphism and twinning","CrystEngComm","2009","11","3","444","453","10.1039/b810660f","","","0.71073","MoKα","","0.0766","0.0508","","","0.149","0.1584","","","","","","1.127","","","","has coordinates","218433","2020-10-21","18:00:00",""
"7200228","7.4937","0.0004","10.0957","0.0005","15.2981","0.001","90","","98.025","0.003","90","","1146.03","0.11","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H28 N2 O8 -","- C24 H28 N2 O8 -","- C48 H56 N4 O16 -","2","0.5","","Skovsgaard, Signe; Bond, Andrew D.","Co-crystallisation of benzoic acid derivatives with N-containing bases in solution and by mechanical grinding: stoichiometric variants, polymorphism and twinning","CrystEngComm","2009","11","3","444","453","10.1039/b810660f","","","0.71073","MoKα","","0.0701","0.0535","","","0.1415","0.1503","","","","","","1.059","","","","has coordinates","218433","2020-10-21","18:00:00",""
"7200229","9.571","0.004","6.751","0.002","11.093","0.004","90","","113.3","0.005","90","","658.3","0.4","298","2","298","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C7 H13 Eu N2 O12 -","- C7 H13 Eu N2 O12 -","- C14 H26 Eu2 N4 O24 -","2","0.5","","Wan, Yong-Hong; Zheng, Xiang-Jun; Wang, Feng-Qin; Zhou, Xiao-Yu; Wang, Ke-Zhi; Jin, Lin-Pei","Water cluster supported architecture of lanthanide coordination polymers with pyrazinetricarboxylic acid","CrystEngComm","2009","11","2","278","","10.1039/b810964h","","","0.71073","MoKα","","0.0424","0.0402","","","0.1052","0.1073","","","","","","1.089","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200230","9.69","0.0016","6.8211","0.0014","11.236","0.003","90","","113.333","0.008","90","","681.9","0.3","298","2","298","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C7 H13 Gd N2 O12 -","- C7 H13 Gd N2 O12 -","- C14 H26 Gd2 N4 O24 -","2","0.5","","Wan, Yong-Hong; Zheng, Xiang-Jun; Wang, Feng-Qin; Zhou, Xiao-Yu; Wang, Ke-Zhi; Jin, Lin-Pei","Water cluster supported architecture of lanthanide coordination polymers with pyrazinetricarboxylic acid","CrystEngComm","2009","11","2","278","","10.1039/b810964h","","","0.71073","MoKα","","0.0658","0.0592","","","0.1555","0.1653","","","","","","1.079","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200231","9.5054","0.001","6.5175","0.0007","17.0878","0.0018","90","","90","","90","","1058.61","0.19","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C7 H7 N2 O9 Yb -","- C7 H7 N2 O9 Yb -","- C28 H28 N8 O36 Yb4 -","4","0.5","","Wan, Yong-Hong; Zheng, Xiang-Jun; Wang, Feng-Qin; Zhou, Xiao-Yu; Wang, Ke-Zhi; Jin, Lin-Pei","Water cluster supported architecture of lanthanide coordination polymers with pyrazinetricarboxylic acid","CrystEngComm","2009","11","2","278","","10.1039/b810964h","","","0.71073","MoKα","","0.0284","0.0269","","","0.0695","0.0704","","","","","","1.051","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200232","9.5384","0.0008","6.5495","0.0006","17.1693","0.0015","90","","90","","90","","1072.6","0.16","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C7 H7 Er N2 O9 -","- C7 H7 Er N2 O9 -","- C28 H28 Er4 N8 O36 -","4","0.5","","Wan, Yong-Hong; Zheng, Xiang-Jun; Wang, Feng-Qin; Zhou, Xiao-Yu; Wang, Ke-Zhi; Jin, Lin-Pei","Water cluster supported architecture of lanthanide coordination polymers with pyrazinetricarboxylic acid","CrystEngComm","2009","11","2","278","","10.1039/b810964h","","","0.71073","MoKα","","0.0214","0.0196","","","0.0468","0.0473","","","","","","1.096","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200233","18.5354","0.0009","6.5819","0.0003","14.7391","0.0007","90","","91.987","0.001","90","","1797.06","0.15","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 N6 O4 -","- C20 H16 N6 O4 -","- C80 H64 N24 O16 -","4","1","","Du, Miao; Jiang, Xiu-Juan; Tan, Xue; Zhang, Zhi-Hui; Cai, Hua","Co-crystallization of a versatile building block 4-amino- 3,5-bis(4-pyridyl)-1,2,4-triazole with R-isophthalic acids (R = ‒H, ‒NH2, ‒SO3H, and ‒COOH): polymorphism and substituent effect on structural diversity","CrystEngComm","2009","11","3","454","","10.1039/b811132d","","","0.71073","MoKα","","0.0438","0.0333","","","0.0858","0.0992","","","","","","1.071","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200234","6.255","0.002","7.187","0.002","20.272","0.004","83.78","0.03","86.62","0.03","79.03","0.02","888.7","0.4","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H16 N6 O4 -","- C20 H16 N6 O4 -","- C40 H32 N12 O8 -","2","1","","Du, Miao; Jiang, Xiu-Juan; Tan, Xue; Zhang, Zhi-Hui; Cai, Hua","Co-crystallization of a versatile building block 4-amino- 3,5-bis(4-pyridyl)-1,2,4-triazole with R-isophthalic acids (R = ‒H, ‒NH2, ‒SO3H, and ‒COOH): polymorphism and substituent effect on structural diversity","CrystEngComm","2009","11","3","454","","10.1039/b811132d","","","0.71073","MoKα","","0.1681","0.0503","","","0.0853","0.1037","","","","","","0.98","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200235","17.5638","0.0013","7.371","0.0006","14.4866","0.0011","90","","93.01","0.001","90","","1872.9","0.3","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N7 O4 -","- C20 H17 N7 O4 -","- C80 H68 N28 O16 -","4","1","","Du, Miao; Jiang, Xiu-Juan; Tan, Xue; Zhang, Zhi-Hui; Cai, Hua","Co-crystallization of a versatile building block 4-amino- 3,5-bis(4-pyridyl)-1,2,4-triazole with R-isophthalic acids (R = ‒H, ‒NH2, ‒SO3H, and ‒COOH): polymorphism and substituent effect on structural diversity","CrystEngComm","2009","11","3","454","","10.1039/b811132d","","","0.71073","MoKα","","0.0637","0.0389","","","0.0938","0.1048","","","","","","1.034","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200236","7.1997","0.0008","21.912","0.002","14.196","0.0015","90","","98.116","0.001","90","","2217.1","0.4","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N6 O9 S -","- C20 H20 N6 O9 S -","- C80 H80 N24 O36 S4 -","4","1","","Du, Miao; Jiang, Xiu-Juan; Tan, Xue; Zhang, Zhi-Hui; Cai, Hua","Co-crystallization of a versatile building block 4-amino- 3,5-bis(4-pyridyl)-1,2,4-triazole with R-isophthalic acids (R = ‒H, ‒NH2, ‒SO3H, and ‒COOH): polymorphism and substituent effect on structural diversity","CrystEngComm","2009","11","3","454","","10.1039/b811132d","","","0.71073","MoKα","","0.0649","0.0457","","","0.1171","0.1264","","","","","","1.067","","","","has coordinates,has disorder","180333","2020-10-21","18:00:00",""
"7200237","7.3454","0.0007","37.522","0.003","8.5441","0.0008","90","","113.35","0.001","90","","2162","0.3","294","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 N6 O8 -","- C21 H20 N6 O8 -","- C84 H80 N24 O32 -","4","1","","Du, Miao; Jiang, Xiu-Juan; Tan, Xue; Zhang, Zhi-Hui; Cai, Hua","Co-crystallization of a versatile building block 4-amino- 3,5-bis(4-pyridyl)-1,2,4-triazole with R-isophthalic acids (R = ‒H, ‒NH2, ‒SO3H, and ‒COOH): polymorphism and substituent effect on structural diversity","CrystEngComm","2009","11","3","454","","10.1039/b811132d","","","0.71073","MoKα","","0.0453","0.0409","","","0.1035","0.1067","","","","","","1.075","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200238","6.9422","0.0002","10.1547","0.0004","14.1896","0.0005","81.003","0.002","76.327","0.002","70.344","0.002","912.09","0.06","120","2","120","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","Adenine - benzoic acid (1:2) co-crystal","","- C19 H17 N5 O4 -","- C19 H17 N5 O4 -","- C38 H34 N10 O8 -","2","1","","Byres, Maureen; Cox, Philip J.; Kay, Graeme; Nixon, Elaine","Supramolecular structures of six adenine-carboxylic acid complexes","CrystEngComm","2009","11","1","135","","10.1039/b811243f","","x-ray","0.71073","MoKα","","0.0562","0.0415","","","0.0946","0.1007","","","","","","1.045","","","","has coordinates,has disorder","180333","2020-10-21","18:00:00",""
"7200239","8.9781","0.0005","9.9334","0.0005","14.2815","0.0007","74.908","0.003","85.357","0.003","66.786","0.003","1129.84","0.11","120","2","120","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","Adenine - adipic acid (2:1) dimethanolate","","- C18 H28 N10 O6 -","- C18 H28 N10 O6 -","- C36 H56 N20 O12 -","2","1","","Byres, Maureen; Cox, Philip J.; Kay, Graeme; Nixon, Elaine","Supramolecular structures of six adenine-carboxylic acid complexes","CrystEngComm","2009","11","1","135","","10.1039/b811243f","","x-ray","0.71073","MoKα","","0.0757","0.0462","","","0.1075","0.1198","","","","","","1.069","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200240","7.0966","0.0003","7.2069","0.0003","23.563","0.0011","90","","93.978","0.003","90","","1202.21","0.09","120","2","120","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","Adenine 2,6-dihydroxybenzoate","","- C12 H11 N5 O4 -","- C12 H11 N5 O4 -","- C48 H44 N20 O16 -","4","1","","Byres, Maureen; Cox, Philip J.; Kay, Graeme; Nixon, Elaine","Supramolecular structures of six adenine-carboxylic acid complexes","CrystEngComm","2009","11","1","135","","10.1039/b811243f","","x-ray","0.71073","MoKα","","0.0877","0.0512","","","0.1077","0.1245","","","","","","1.046","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200241","6.9541","0.0002","15.216","0.0006","7.0195","0.0003","90","","118.59","","90","","652.19","0.04","120","2","120","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","Adenine 2,6-dihydroxybenzoate hydrate","","- C12 H13 N5 O5 -","- C12 H13 N5 O5 -","- C24 H26 N10 O10 -","2","1","","Byres, Maureen; Cox, Philip J.; Kay, Graeme; Nixon, Elaine","Supramolecular structures of six adenine-carboxylic acid complexes","CrystEngComm","2009","11","1","135","","10.1039/b811243f","","x-ray","0.71073","MoKα","","0.0565","0.0541","","","0.1583","0.1598","","","","","","1.116","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200242","7.1636","0.0002","7.9486","0.0003","24.7336","0.0009","90","","91.248","0.002","90","","1408.01","0.08","120","2","120","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","Adenine 2-hydroxybenzoate methanolate","","- C13 H15 N5 O4 -","- C13 H15 N5 O4 -","- C52 H60 N20 O16 -","4","1","","Byres, Maureen; Cox, Philip J.; Kay, Graeme; Nixon, Elaine","Supramolecular structures of six adenine-carboxylic acid complexes","CrystEngComm","2009","11","1","135","","10.1039/b811243f","","x-ray","0.71073","MoKα","","0.0655","0.0464","","","0.1126","0.1227","","","","","","1.053","","","","has coordinates,has disorder","180333","2020-10-21","18:00:00",""
"7200243","11.6347","0.0005","14.9993","0.0008","7.9794","0.0004","90","","91.496","0.003","90","","1392.03","0.12","120","2","120","2","","","","","","","synthesis as described","4","C 1 c 1","C -2yc","9","","[Adenine hydroxide] [3,5-dihydroxybenzoic acid hydrate]","","- C12 H15 N5 O6 -","- C12 H15 N5 O6 -","- C48 H60 N20 O24 -","4","1","","Byres, Maureen; Cox, Philip J.; Kay, Graeme; Nixon, Elaine","Supramolecular structures of six adenine-carboxylic acid complexes","CrystEngComm","2009","11","1","135","","10.1039/b811243f","","x-ray","0.71073","MoKα","","0.069","0.0572","","","0.1166","0.1245","","","","","","1.08","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200244","17.8896","0.0008","7.3769","0.0004","6.782","0.0004","90","","97.31","0.003","90","","887.74","0.08","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 H9 N3 -","- C10 H9 N3 -","- C40 H36 N12 -","4","1","","Stoll, Ion; Brodbeck, Ralf; Neumann, Beate; Stammler, Hans-Georg; Mattay, Jochen","Controlling the self assembly of arene functionalised 2-aminopyrimidines by arene-perfluoroarene interaction and by silver(I) complex formation","CrystEngComm","2009","11","2","306","","10.1039/b811297e","","","0.71073","MoKα","","0.0688","0.0462","","","0.1246","0.1361","","","","","","1.071","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200245","36.2306","0.0016","5.4899","0.0001","26.446","0.0011","90","","95.6441","0.0012","90","","5234.7","0.3","200","2","200","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C10 H9 N3 -","- C10 H9 N3 -","- C240 H216 N72 -","24","3","","Stoll, Ion; Brodbeck, Ralf; Neumann, Beate; Stammler, Hans-Georg; Mattay, Jochen","Controlling the self assembly of arene functionalised 2-aminopyrimidines by arene-perfluoroarene interaction and by silver(I) complex formation","CrystEngComm","2009","11","2","306","","10.1039/b811297e","","","0.71073","MoKα","","0.0986","0.0488","","","0.1032","0.1221","","","","","","1.002","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200246","7.7717","0.0004","11.544","0.0007","13.2696","0.0009","71.552","0.003","89.896","0.004","87.983","0.004","1128.57","0.12","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H11 N3 -","- C14 H11 N3 -","- C56 H44 N12 -","4","2","","Stoll, Ion; Brodbeck, Ralf; Neumann, Beate; Stammler, Hans-Georg; Mattay, Jochen","Controlling the self assembly of arene functionalised 2-aminopyrimidines by arene-perfluoroarene interaction and by silver(I) complex formation","CrystEngComm","2009","11","2","306","","10.1039/b811297e","","","0.71073","MoKα","","0.0788","0.0676","","","0.1732","0.1825","","","","","","1.092","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200247","46.0671","0.0008","6.2813","0.0001","7.4605","0.0002","90","","96.0684","0.0013","90","","2146.68","0.08","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C14 H11 N3 -","- C14 H11 N3 -","- C112 H88 N24 -","8","2","","Stoll, Ion; Brodbeck, Ralf; Neumann, Beate; Stammler, Hans-Georg; Mattay, Jochen","Controlling the self assembly of arene functionalised 2-aminopyrimidines by arene-perfluoroarene interaction and by silver(I) complex formation","CrystEngComm","2009","11","2","306","","10.1039/b811297e","","","0.71073","MoKα","","0.0364","0.0335","","","0.0849","0.0867","","","","","","1.058","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200248","12.6457","0.0009","7.7132","0.0006","37.641","0.003","90","","97.728","0.002","90","","3638.1","0.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H9 F9 N3 -","- C18.9988 H9 F8.9988 N3 -","- C151.99 H72 F71.9904 N24 -","8","1","","Stoll, Ion; Brodbeck, Ralf; Neumann, Beate; Stammler, Hans-Georg; Mattay, Jochen","Controlling the self assembly of arene functionalised 2-aminopyrimidines by arene-perfluoroarene interaction and by silver(I) complex formation","CrystEngComm","2009","11","2","306","","10.1039/b811297e","","","0.71073","MoKα","","0.0748","0.0646","","","0.1356","0.1407","","","","","","1.14","","","","has coordinates,has disorder","180333","2020-10-21","18:00:00",""
"7200249","17.7639","0.0004","7.0692","0.0002","14.1054","0.0005","90","","105.935","0.0016","90","","1703.24","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H11 F6 N3 -","- C20 H11 F6 N3 -","- C80 H44 F24 N12 -","4","1","","Stoll, Ion; Brodbeck, Ralf; Neumann, Beate; Stammler, Hans-Georg; Mattay, Jochen","Controlling the self assembly of arene functionalised 2-aminopyrimidines by arene-perfluoroarene interaction and by silver(I) complex formation","CrystEngComm","2009","11","2","306","","10.1039/b811297e","","","0.71073","MoKα","","0.059","0.0398","","","0.0992","0.1088","","","","","","1.038","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200250","14.7028","0.0006","7.3888","0.0004","13.7709","0.0005","90","","110.236","0.003","90","","1403.68","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 F3 N3 -","- C17 H11 F3 N3 -","- C68 H44 F12 N12 -","4","1","","Stoll, Ion; Brodbeck, Ralf; Neumann, Beate; Stammler, Hans-Georg; Mattay, Jochen","Controlling the self assembly of arene functionalised 2-aminopyrimidines by arene-perfluoroarene interaction and by silver(I) complex formation","CrystEngComm","2009","11","2","306","","10.1039/b811297e","","","0.71073","MoKα","","0.0609","0.0459","","","0.1214","0.1319","","","","","","1.039","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200251","7.491","0.0001","19.127","0.0004","15.82","0.0004","90","","92.867","0.0015","90","","2263.86","0.08","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 Ag B F4 N6 O1.43 -","- C20 H18 Ag B F4 N6 O1.418 -","- C80 H72 Ag4 B4 F16 N24 O5.672 -","4","0.5","","Stoll, Ion; Brodbeck, Ralf; Neumann, Beate; Stammler, Hans-Georg; Mattay, Jochen","Controlling the self assembly of arene functionalised 2-aminopyrimidines by arene-perfluoroarene interaction and by silver(I) complex formation","CrystEngComm","2009","11","2","306","","10.1039/b811297e","","","0.71073","MoKα","","0.0392","0.0328","","","0.0815","0.0857","","","","","","1.037","","","","has coordinates,has disorder","180333","2020-10-21","18:00:00",""
"7200252","18.854","0.0005","13.3354","0.0003","10.1094","0.0003","90","","97.6513","0.0015","90","","2519.13","0.12","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 Ag B F4 N6 -","- C28 H22 Ag B F4 N6 -","- C112 H88 Ag4 B4 F16 N24 -","4","1","","Stoll, Ion; Brodbeck, Ralf; Neumann, Beate; Stammler, Hans-Georg; Mattay, Jochen","Controlling the self assembly of arene functionalised 2-aminopyrimidines by arene-perfluoroarene interaction and by silver(I) complex formation","CrystEngComm","2009","11","2","306","","10.1039/b811297e","","","0.71073","MoKα","","0.0629","0.0378","","","0.0749","0.0831","","","","","","1.029","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200253","21.7294","0.0013","9.7649","0.0006","12.1235","0.0007","90","","98.099","0.004","90","","2546.8","0.3","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 Ag B F4 N6 -","- C28 H22 Ag B F4 N6 -","- C112 H88 Ag4 B4 F16 N24 -","4","1","","Stoll, Ion; Brodbeck, Ralf; Neumann, Beate; Stammler, Hans-Georg; Mattay, Jochen","Controlling the self assembly of arene functionalised 2-aminopyrimidines by arene-perfluoroarene interaction and by silver(I) complex formation","CrystEngComm","2009","11","2","306","","10.1039/b811297e","","","0.71073","MoKα","","0.1629","0.0909","","","0.2069","0.2454","","","","","","1.078","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200254","6.9907","0.0006","8.0552","0.0007","15.3027","0.0013","79.305","0.005","89.038","0.005","64.66","0.005","763.37","0.12","173","2","173","2","","","","","","","","5","P -1","-P 1","2","(4-bromo-PhC(CN)(=NOH)), 3-bromo-5-methoxypyridine","(4-bromo-PhC(CN)(=NOH)), 3-bromo-5-methoxypyridine","","- C14 H11 Br2 N3 O2 -","- C14 H11 Br2 N3 O2 -","- C28 H22 Br4 N6 O4 -","2","1","","Aakeröy, Christer B.; Salmon, Debra J.; Smith, Michelle M.; Desper, John","Cyanooximes as effective and selective co-crystallizing agents","CrystEngComm","2009","11","3","439","443","10.1039/b811322j","","","0.71073","MoKα","","0.0686","0.0576","","","0.1633","0.1704","","","","","","1.128","","","","has coordinates","218430","2020-10-21","18:00:00",""
"7200255","4.9374","0.0006","22.597","0.003","19.233","0.002","90","","96.869","0.002","90","","2130.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(4-bromo-PhC(CN)(=NOH)), 1-(4-bromobenzyl)-2- methylbenzimidazole","(4-bromo-PhC(CN)(=NOH)), 1-(4-bromobenzyl)-2-methylbenzimidazole","","- C23 H18 Br2 N4 O -","- C23 H18 Br2 N4 O -","- C92 H72 Br8 N16 O4 -","4","1","","Aakeröy, Christer B.; Salmon, Debra J.; Smith, Michelle M.; Desper, John","Cyanooximes as effective and selective co-crystallizing agents","CrystEngComm","2009","11","3","439","443","10.1039/b811322j","","","0.71073","MoKα","","0.0493","0.0339","","","0.0825","0.0888","","","","","","1.021","","","","has coordinates","218430","2020-10-21","18:00:00",""
"7200256","5.3033","0.0006","13.2294","0.0015","15.0601","0.0017","102.536","0.002","99.505","0.002","94.752","0.002","1009.5","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","(4-bromo-PhC(CN)(=NOH)), 1-(4-bromobenzyl)benzimidazole","(4-bromo-PhC(CN)(=NOH)), 1-(4-bromobenzyl)benzimidazole","","- C22 H16 Br2 N4 O -","- C22 H16 Br2 N4 O -","- C44 H32 Br4 N8 O2 -","2","1","","Aakeröy, Christer B.; Salmon, Debra J.; Smith, Michelle M.; Desper, John","Cyanooximes as effective and selective co-crystallizing agents","CrystEngComm","2009","11","3","439","443","10.1039/b811322j","","","0.71073","MoKα","","0.0334","0.0271","","","0.0711","0.0736","","","","","","1.077","","","","has coordinates","218430","2020-10-21","18:00:00",""
"7200257","6.039","0.003","13.982","0.006","14.166","0.006","70.067","0.019","83.78","0.03","82.22","0.03","1111.6","0.9","173","2","173","2","","","","","","","","5","P -1","-P 1","2","4-bromo-PhC(CN)(N=OH), (3-((5,6-dimethylbenzimidazol-1- yl)methyl)PhCN","4-bromo-PhC(CN)(N=OH), (3-[(5,6-dimethylbenzimidazol-1-yl)methyl]PhCN","","- C25 H20 Br N5 O -","- C25 H20 Br N5 O -","- C50 H40 Br2 N10 O2 -","2","1","","Aakeröy, Christer B.; Salmon, Debra J.; Smith, Michelle M.; Desper, John","Cyanooximes as effective and selective co-crystallizing agents","CrystEngComm","2009","11","3","439","443","10.1039/b811322j","","","0.71073","MoKα","","0.2524","0.0716","","","0.1546","0.2081","","","","","","0.795","","","","has coordinates","218430","2020-10-21","18:00:00",""
"7200258","3.8189","0.0006","11.2941","0.0018","14.107","0.002","98.884","0.01","93.147","0.011","94.624","0.01","597.79","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","(2-fluoro-PhC(CN)(=NOH))2, 1,2-di(4-pyridyl)ethene","[2-fluoro-PhC(CN)(=NOH)]2, 1,2-di(4-pyridyl)ethene","","- C28 H20 F2 N6 O2 -","- C28 H20 F2 N6 O2 -","- C28 H20 F2 N6 O2 -","1","0.5","","Aakeröy, Christer B.; Salmon, Debra J.; Smith, Michelle M.; Desper, John","Cyanooximes as effective and selective co-crystallizing agents","CrystEngComm","2009","11","3","439","443","10.1039/b811322j","","","0.71073","MoKα","","0.0869","0.0597","","","0.1588","0.1754","","","","","","1.017","","","","has coordinates,has disorder","218430","2020-10-21","18:00:00",""
"7200259","13.6335","0.001","4.4402","0.0003","27.297","0.002","90","","94.084","0.003","90","","1648.2","0.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","481 1,4-di((1-benzimidazolyl)methyl)benzene, (3-chloro- PhC(CN)(=NOH))2","481 1,4-di[(1-benzimidazolyl)methyl]benzene, [3-chloro-PhC(CN)(=NOH)]2","","- C38 H28 Cl2 N8 O2 -","- C38 H28 Cl2 N8 O2 -","- C76 H56 Cl4 N16 O4 -","2","0.5","","Aakeröy, Christer B.; Salmon, Debra J.; Smith, Michelle M.; Desper, John","Cyanooximes as effective and selective co-crystallizing agents","CrystEngComm","2009","11","3","439","443","10.1039/b811322j","","","0.71073","MoKα","","0.0634","0.0418","","","0.1013","0.1118","","","","","","1.078","","","","has coordinates","218430","2020-10-21","18:00:00",""
"7200260","16.1659","0.0012","6.4146","0.0005","21.0074","0.0016","90","","105.945","0.005","90","","2094.6","0.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","MS 512 1-(4-pyridylmethyl)-5,6-Me2benzimidazole, 4-F- PhC(CN)(NOH)","MS 512 1-(4-pyridylmethyl)-5,6-Me2benzimidazole, 4-F-PhC(CN)(NOH)","","- C23 H20 F N5 O -","- C23 H20 F N5 O -","- C92 H80 F4 N20 O4 -","4","1","","Aakeröy, Christer B.; Salmon, Debra J.; Smith, Michelle M.; Desper, John","Cyanooximes as effective and selective co-crystallizing agents","CrystEngComm","2009","11","3","439","443","10.1039/b811322j","","","0.71073","MoKα","","0.1597","0.0531","","","0.1011","0.1323","","","","","","0.945","","","","has coordinates","218430","2020-10-21","18:00:00",""
"7200261","11.2155","0.0005","28.9919","0.0013","11.9052","0.0005","90","","111.216","0.001","90","","3608.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H49 Ce N16 O20 -","- C16 H47 Ce N16 O20 -","- C64 H188 Ce4 N64 O80 -","4","1","","Kostakis, George E.; Abbas, Ghulam; Anson, Christopher E.; Powell, Annie K.","Inclusion of a well resolved T4(2)6(2) water tape in a H-bonded, (4,7)-binodal 3D network","CrystEngComm","2009","11","1","82","86","10.1039/b811376a","","","0.71073","MoKα","","0.049","0.0418","","","0.0874","0.0902","","","","","","1.071","","","","has coordinates,has disorder","218438","2020-10-21","18:00:00",""
"7200262","11.2104","0.0017","28.98","0.004","11.911","0.0018","90","","111.184","0.002","90","","3608.1","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H49 N16 Nd O20 -","- C16 H47 N16 Nd O20 -","- C64 H188 N64 Nd4 O80 -","4","1","","Kostakis, George E.; Abbas, Ghulam; Anson, Christopher E.; Powell, Annie K.","Inclusion of a well resolved T4(2)6(2) water tape in a H-bonded, (4,7)-binodal 3D network","CrystEngComm","2009","11","1","82","86","10.1039/b811376a","","","0.71073","MoKα","","0.0586","0.0478","","","0.1152","0.1205","","","","","","1.131","","","","has coordinates,has disorder","218438","2020-10-21","18:00:00",""
"7200263","18.438","0.002","14.6","0.0016","15.5025","0.0017","90","","90.14","0.001","90","","4173.2","0.8","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H40 Mn2 N4 O8 -","- C22 H20 Mn N2 O4 -","- C176 H160 Mn8 N16 O32 -","8","1","","Ma, Lu-Fang; Wang, Li-Ya; Wang, Yao-Yu; Du, Miao; Wang, Jian-Ge","Synthesis, structures and properties of Mn(II) coordination frameworks based on R-isophthalate (R = ‒CH3 or ‒C(CH3)3) and various dipyridyl-type co-ligands","CrystEngComm","2009","11","1","109","","10.1039/b811725j","","","0.71073","MoKα","","0.0398","0.0376","","","0.1058","0.1079","","","","","","1.083","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200264","24.291","0.003","13.5583","0.0018","16.28","0.002","90","","110.495","0.002","90","","5022.3","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H50 Mn2 N4 O11 -","- C48 H50 Mn2 N4 O11 -","- C192 H200 Mn8 N16 O44 -","4","0.5","","Ma, Lu-Fang; Wang, Li-Ya; Wang, Yao-Yu; Du, Miao; Wang, Jian-Ge","Synthesis, structures and properties of Mn(II) coordination frameworks based on R-isophthalate (R = ‒CH3 or ‒C(CH3)3) and various dipyridyl-type co-ligands","CrystEngComm","2009","11","1","109","","10.1039/b811725j","","","0.71073","MoKα","","0.1949","0.1318","","","0.2909","0.3305","","","","","","1.055","","","","has coordinates,has disorder","180333","2020-10-21","18:00:00",""
"7200265","10.309","0.0012","11.4973","0.0014","11.498","0.0014","73.492","0.001","71.723","0.001","76.497","0.001","1225","0.3","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 Mn N2 O4 -","- C24 H24 Mn N2 O4 -","- C48 H48 Mn2 N4 O8 -","2","1","","Ma, Lu-Fang; Wang, Li-Ya; Wang, Yao-Yu; Du, Miao; Wang, Jian-Ge","Synthesis, structures and properties of Mn(II) coordination frameworks based on R-isophthalate (R = ‒CH3 or ‒C(CH3)3) and various dipyridyl-type co-ligands","CrystEngComm","2009","11","1","109","","10.1039/b811725j","","","0.71073","MoKα","","0.064","0.0519","","","0.1385","0.1525","","","","","","1.044","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200266","9.934","0.011","10.242","0.011","11.064","0.012","78.351","0.012","82.391","0.013","67.257","0.012","1014.9","1.9","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 Mn N2 O4 -","- C21 H18 Mn N2 O4 -","- C42 H36 Mn2 N4 O8 -","2","1","","Ma, Lu-Fang; Wang, Li-Ya; Wang, Yao-Yu; Du, Miao; Wang, Jian-Ge","Synthesis, structures and properties of Mn(II) coordination frameworks based on R-isophthalate (R = ‒CH3 or ‒C(CH3)3) and various dipyridyl-type co-ligands","CrystEngComm","2009","11","1","109","","10.1039/b811725j","","","0.71073","MoKα","","0.0532","0.0404","","","0.1121","0.1221","","","","","","1.063","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200267","9.8326","0.0013","10.929","0.0015","16.539","0.002","71.419","0.002","79.114","0.002","70.648","0.001","1582.6","0.4","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H62 Mn3 N4 O20 -","- C62 H62 Mn3 N4 O20 -","- C62 H62 Mn3 N4 O20 -","1","0.5","","Ma, Lu-Fang; Wang, Li-Ya; Wang, Yao-Yu; Du, Miao; Wang, Jian-Ge","Synthesis, structures and properties of Mn(II) coordination frameworks based on R-isophthalate (R = ‒CH3 or ‒C(CH3)3) and various dipyridyl-type co-ligands","CrystEngComm","2009","11","1","109","","10.1039/b811725j","","","0.71073","MoKα","","0.0407","0.0327","","","0.0812","0.0871","","","","","","1.022","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200269","7.7958","0.001","11.5638","0.0015","12.0921","0.0016","75.457","0.002","74.781","0.002","80.84","0.002","1013.1","0.2","292","2","292","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H22 N4 O2 -","- C22 H22 N4 O2 -","- C44 H44 N8 O4 -","2","1","","Li, Suyue; Li, Ming; Qin, Jingui; Tong, Mingliang; Chen, Xiaoming; Liu, Tao; Fu, Yang; Wu, Shuixing; Su, Zhongmin","Synthesis, crystal structures and nonlinear optical properties of three TCF-based chromophores","CrystEngComm","2009","11","4","589","596","10.1039/b811833g","","","0.71073","MoKα","","0.1019","0.0675","","","0.1428","0.168","","","","","","1.019","","","","has coordinates,has disorder","218441","2020-10-21","18:00:00",""
"7200270","21.2261","0.0018","7.0551","0.0006","19.115","0.0016","90","","99.781","0.001","90","","2820.9","0.4","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H32 N6 O3 -","- C31 H31 N6 O3 -","- C124 H124 N24 O12 -","4","1","","Li, Suyue; Li, Ming; Qin, Jingui; Tong, Mingliang; Chen, Xiaoming; Liu, Tao; Fu, Yang; Wu, Shuixing; Su, Zhongmin","Synthesis, crystal structures and nonlinear optical properties of three TCF-based chromophores","CrystEngComm","2009","11","4","589","596","10.1039/b811833g","","","0.71073","MoKα","","0.1084","0.0971","","","0.2567","0.2649","","","","","","1.07","","","","has coordinates,has disorder","218441","2020-10-21","18:00:00",""
"7200271","8.0729","0.0007","12.3815","0.0011","14.1342","0.0013","67.973","0.002","88.486","0.002","83.183","0.002","1300.1","0.2","292","2","292","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H28 N4 O2 -","- C30 H28 N4 O2 -","- C60 H56 N8 O4 -","2","1","","Li, Suyue; Li, Ming; Qin, Jingui; Tong, Mingliang; Chen, Xiaoming; Liu, Tao; Fu, Yang; Wu, Shuixing; Su, Zhongmin","Synthesis, crystal structures and nonlinear optical properties of three TCF-based chromophores","CrystEngComm","2009","11","4","589","596","10.1039/b811833g","","","0.71073","MoKα","","0.1115","0.0651","","","0.168","0.2009","","","","","","1.023","","","","has coordinates,has disorder","218441","2020-10-21","18:00:00",""
"7200274","8.793","0.002","10.091","0.003","15.404","0.004","87.826","0.004","88.941","0.005","73.318","0.004","1308.3","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H47 N9 Ni2 O11 -","- C40 H26 N6 Ni2 O8 -","- C40 H26 N6 Ni2 O8 -","1","0.5","","Gao, Chaoying; Liu, Shuxia; Xie, Linhua; Sun, Chunyan; Cao, Jianfang; Ren, Yuanhang; Feng, Dan; Su, Zhongming","Rational design microporous pillared-layer frameworks: syntheses, structures and gas sorption properties","CrystEngComm","2009","11","1","177","","10.1039/b812097h","","","0.71073","MoKα","","0.074","0.0546","","","0.1195","0.1271","","","","","","0.923","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200275","16.6361","0.0008","16.6361","0.0008","27.868","0.003","90","","90","","120","","6679.4","0.9","293","2","293","2","","","","","","","","5","P -6 2 c","P -6c -2c","190","","","","- C22 H29 N5 Ni O9 -","- C13 H7 N2 Ni O6 -","- C156 H84 N24 Ni12 O72 -","12","1","","Gao, Chaoying; Liu, Shuxia; Xie, Linhua; Sun, Chunyan; Cao, Jianfang; Ren, Yuanhang; Feng, Dan; Su, Zhongming","Rational design microporous pillared-layer frameworks: syntheses, structures and gas sorption properties","CrystEngComm","2009","11","1","177","","10.1039/b812097h","","","0.71073","MoKα","","0.1658","0.1472","","","0.4233","0.4438","","","","","","1.757","","","","has coordinates,has disorder","180333","2020-10-21","18:00:00",""
"7200276","9.6103","0.0003","9.6103","0.0003","6.9723","0.0005","90","","90","","120","","557.67","0.05","183","2","183","2","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C22 H29 N5 Ni O9 -","- C13.14 H1.02 N2 Ni O6 -","- C13.14 H1.02 N2 Ni O6 -","1","0.0416667","","Gao, Chaoying; Liu, Shuxia; Xie, Linhua; Sun, Chunyan; Cao, Jianfang; Ren, Yuanhang; Feng, Dan; Su, Zhongming","Rational design microporous pillared-layer frameworks: syntheses, structures and gas sorption properties","CrystEngComm","2009","11","1","177","","10.1039/b812097h","","","0.71073","MoKα","","0.0453","0.0453","","","0.1237","0.1237","","","","","","1.167","","","","has coordinates,has disorder","180333","2020-10-21","18:00:00",""
"7200277","16.257","0.0015","8.8673","0.0015","15.976","0.002","90","","90","","90","","2303","0.5","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C19 H20 Fe Mn N9 O3 -","- C19 H14 Fe Mn N9 O3 -","- C76 H56 Fe4 Mn4 N36 O12 -","4","1","","Zhao, Chong-Chao; Ni, Wei-Wei; Tao, Jun; Cui, Ai-Li; Kou, Hui-Zhong","Ligand-directed assembly of cyanide-bridged bimetallic MnIIFeIII coordination polymers based on the pentacyanoferrite(III) building blocks","CrystEngComm","2009","11","4","632","","10.1039/b812117f","","","0.71073","MoKα","","0.0834","0.058","","","0.1346","0.1511","","","","","","1.057","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200278","13.199","0.008","7.258","0.004","22.234","0.015","90","","90","","90","","2130","2","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C18 H14 Fe Mn N9 O -","- C18 H12 Fe Mn N9 O -","- C72 H48 Fe4 Mn4 N36 O4 -","4","0.5","","Zhao, Chong-Chao; Ni, Wei-Wei; Tao, Jun; Cui, Ai-Li; Kou, Hui-Zhong","Ligand-directed assembly of cyanide-bridged bimetallic MnIIFeIII coordination polymers based on the pentacyanoferrite(III) building blocks","CrystEngComm","2009","11","4","632","","10.1039/b812117f","","","0.71075","MoKα","","0.036","0.0309","","","0.0636","0.065","","","","","","1.012","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200279","7.409","0.0015","13.701","0.003","15.038","0.003","90","","90","","90","","1526.5","0.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H12 Fe Mn N7 O2 -","- C10 H12 Fe Mn N7 O2 -","- C40 H48 Fe4 Mn4 N28 O8 -","4","1","","Zhao, Chong-Chao; Ni, Wei-Wei; Tao, Jun; Cui, Ai-Li; Kou, Hui-Zhong","Ligand-directed assembly of cyanide-bridged bimetallic MnIIFeIII coordination polymers based on the pentacyanoferrite(III) building blocks","CrystEngComm","2009","11","4","632","","10.1039/b812117f","","","0.71073","MoKα","","0.0274","0.0239","","","0.0545","0.0557","","","","","","1.025","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200281","9.4559","0.0012","7.8465","0.001","10.6879","0.0017","90","","108.137","0.011","90","","753.6","0.19","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 N4 O2 -","- C16 H18 N4 O2 -","- C32 H36 N8 O4 -","2","0.5","","Hsu, Yi-Fen; Hu, Hui-Ling; Wu, Chia-Jun; Yeh, Chun-Wei; Proserpio, Davide M.; Chen, Jhy-Der","Ligand isomerism-controlled structural diversity of cadmium(II) perchlorate coordination polymers containing dipyridyladipoamide ligands","CrystEngComm","2009","11","1","168","","10.1039/b812447g","","","0.71073","MoKα","","0.101","0.05","","","0.1048","0.1272","","","","","","1.032","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200282","9.173","0.0011","11.3098","0.0013","11.0517","0.001","90","","107.793","0.008","90","","1091.7","0.2","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 Cd Cl2 N4 O10 -","- C16 H18 Cd Cl2 N4 O10 -","- C32 H36 Cd2 Cl4 N8 O20 -","2","0.5","","Hsu, Yi-Fen; Hu, Hui-Ling; Wu, Chia-Jun; Yeh, Chun-Wei; Proserpio, Davide M.; Chen, Jhy-Der","Ligand isomerism-controlled structural diversity of cadmium(II) perchlorate coordination polymers containing dipyridyladipoamide ligands","CrystEngComm","2009","11","1","168","","10.1039/b812447g","","","0.71073","MoKα","","0.0511","0.0329","","","0.0713","0.0793","","","","","","1.031","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200283","9.6762","0.0011","9.9743","0.0011","12.4337","0.0014","76.553","0.009","78.663","0.009","79.367","0.009","1132.2","0.2","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H52 Cd Cl2 N8 O16 -","- C36 H36 Cd Cl2 N8 O16 -","- C36 H36 Cd Cl2 N8 O16 -","1","0.5","","Hsu, Yi-Fen; Hu, Hui-Ling; Wu, Chia-Jun; Yeh, Chun-Wei; Proserpio, Davide M.; Chen, Jhy-Der","Ligand isomerism-controlled structural diversity of cadmium(II) perchlorate coordination polymers containing dipyridyladipoamide ligands","CrystEngComm","2009","11","1","168","","10.1039/b812447g","","","0.71073","MoKα","","0.0808","0.0617","","","0.1467","0.1605","","","","","","1.026","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200284","16.779","0.002","12.1263","0.0013","21.766","0.003","90","","90","","90","","4428.7","0.9","295","2","295","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C36 H48 Cd Cl2 N8 O14 -","- C36 H36 Cd Cl2 N8 O14 -","- C144 H144 Cd4 Cl8 N32 O56 -","4","0.5","","Hsu, Yi-Fen; Hu, Hui-Ling; Wu, Chia-Jun; Yeh, Chun-Wei; Proserpio, Davide M.; Chen, Jhy-Der","Ligand isomerism-controlled structural diversity of cadmium(II) perchlorate coordination polymers containing dipyridyladipoamide ligands","CrystEngComm","2009","11","1","168","","10.1039/b812447g","","","0.71073","MoKα","","0.0763","0.0523","","","0.1381","0.1554","","","","","","1.035","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200285","11.288","0.002","9.671","0.0019","10.281","0.002","90","","97.79","0.03","90","","1112","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H7 N3 O4 Zn -","- C10 H7 N3 O4 Zn -","- C40 H28 N12 O16 Zn4 -","4","1","","Luo, Feng; Che, Yun-xia; Zheng, Ji-min","Two new metal‒triazole-benzenedicarboxylate frameworks affording an uncommon 3,4-connected net and unique 4,6-connected rod packing: hydrothermal synthesis, structure, thermostability and luminescence studies","CrystEngComm","2009","11","6","1097","","10.1039/b812479e","","x-ray","0.71073","MoKα","","0.0271","0.0237","","","0.0596","0.0613","","","","","","1.045","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200286","18.981","0.007","6.9876","0.0014","25.368","0.005","90","","100.63","0.03","90","","3306.9","1.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H16 Cd4 N6 O15 -","- C28 H16 Cd4 N6 O15 -","- C112 H64 Cd16 N24 O60 -","4","0.5","","Luo, Feng; Che, Yun-xia; Zheng, Ji-min","Two new metal‒triazole-benzenedicarboxylate frameworks affording an uncommon 3,4-connected net and unique 4,6-connected rod packing: hydrothermal synthesis, structure, thermostability and luminescence studies","CrystEngComm","2009","11","6","1097","","10.1039/b812479e","","x-ray","0.71073","MoKα","","0.0925","0.0779","","","0.1348","0.144","","","","","","1.156","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200287","32.9054","0.0006","4.0078","0.0001","12.3689","0.0002","90","","90","","90","","1631.19","0.06","180","2","180","2","","","","","","","","4","P n a 21","P 2c -2n","33","nicotinamide:malonic acid 2/1","nicotinamide:malonic acid 2/1","","- C15 H16 N4 O6 -","- C15 H16 N4 O6 -","- C60 H64 N16 O24 -","4","1","","Karki, Shyam; Friščić, Tomislav; Jones, William","Control and interconversion of cocrystal stoichiometry in grinding: stepwise mechanism for the formation of a hydrogen-bonded cocrystal","CrystEngComm","2009","11","3","470","","10.1039/b812531g","","","0.71073","MoKα","","0.0394","0.0333","","","0.0839","0.0878","","","","","","1.025","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200288","5.5314","0.0001","13.7844","0.0004","14.2056","0.0005","90","","92.59","0.001","90","","1082.03","0.05","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","nictinamide:fumaric acid 1:1","nictinamide:fumaric acid 1:1","","- C10 H10 N2 O5 -","- C10 H10 N2 O5 -","- C40 H40 N8 O20 -","4","1","","Karki, Shyam; Friščić, Tomislav; Jones, William","Control and interconversion of cocrystal stoichiometry in grinding: stepwise mechanism for the formation of a hydrogen-bonded cocrystal","CrystEngComm","2009","11","3","470","","10.1039/b812531g","","","0.71073","MoKα","","0.0929","0.0503","","","0.1208","0.1415","","","","","","1.021","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200289","5.4556","0.0005","7.3692","0.0006","15.1945","0.0013","99.413","0.005","94.592","0.005","104.775","0.003","577.95","0.09","180","2","180","2","","","","","","","","4","P -1","-P 1","2","nicotinamide:glutaric acid 1:1","nicotinamide:glutaric acid 1:1","","- C11 H14 N2 O5 -","- C11 H14 N2 O5 -","- C22 H28 N4 O10 -","2","1","","Karki, Shyam; Friščić, Tomislav; Jones, William","Control and interconversion of cocrystal stoichiometry in grinding: stepwise mechanism for the formation of a hydrogen-bonded cocrystal","CrystEngComm","2009","11","3","470","","10.1039/b812531g","","","0.71073","MoKα","","0.079","0.0531","","","0.1184","0.1335","","","","","","1.081","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200290","5.011","0.0001","5.3379","0.0001","24.0348","0.0006","93.036","0.001","92.753","0.001","92.189","0.001","640.71","0.02","180","2","180","2","","","","","","","","4","P -1","-P 1","2","nicotinamide:adipic acid 1:1","nicotinamide:adipic acid 1:1","","- C12 H16 N2 O5 -","- C12 H16 N2 O5 -","- C24 H32 N4 O10 -","2","1","","Karki, Shyam; Friščić, Tomislav; Jones, William","Control and interconversion of cocrystal stoichiometry in grinding: stepwise mechanism for the formation of a hydrogen-bonded cocrystal","CrystEngComm","2009","11","3","470","","10.1039/b812531g","","","0.71073","MoKα","","0.0575","0.0426","","","0.1063","0.1163","","","","","","1.02","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200291","5.0302","0.0003","5.46","0.0003","16.9903","0.0009","82.38","0.004","89.395","0.004","90.006","0.002","462.49","0.05","180","2","180","2","","","","","","","","4","P -1","-P 1","2","nicotinamide:adipic acid 2:1","nicotinamide:adipic acid 2:1","","- C18 H22 N4 O6 -","- C18 H22 N4 O6 -","- C18 H22 N4 O6 -","1","0.5","","Karki, Shyam; Friščić, Tomislav; Jones, William","Control and interconversion of cocrystal stoichiometry in grinding: stepwise mechanism for the formation of a hydrogen-bonded cocrystal","CrystEngComm","2009","11","3","470","","10.1039/b812531g","","","0.71073","MoKα","","0.0782","0.049","","","0.113","0.1285","","","","","","1.021","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200292","5.4425","0.0001","7.3981","0.0002","17.9304","0.0006","99.568","0.002","94.075","0.002","104.177","0.002","685.49","0.03","180","2","180","2","","","","","","","","4","P -1","-P 1","2","nicotinamide:pimelic acid 1:1","nicotinamide:pimelic acid 1:1","","- C13 H18 N2 O5 -","- C13 H18 N2 O5 -","- C26 H36 N4 O10 -","2","1","","Karki, Shyam; Friščić, Tomislav; Jones, William","Control and interconversion of cocrystal stoichiometry in grinding: stepwise mechanism for the formation of a hydrogen-bonded cocrystal","CrystEngComm","2009","11","3","470","","10.1039/b812531g","","","0.71073","MoKα","","0.0386","0.0346","","","0.0921","0.0961","","","","","","1.055","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200293","4.9537","0.0001","35.2893","0.0006","8.718","0.0002","90","","94.832","0.001","90","","1518.6","0.05","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","nicotinamide:suberic acid 1:1","nicotinamide:suberic acid 1:1","","- C14 H20 N2 O5 -","- C14 H20 N2 O5 -","- C56 H80 N8 O20 -","4","1","","Karki, Shyam; Friščić, Tomislav; Jones, William","Control and interconversion of cocrystal stoichiometry in grinding: stepwise mechanism for the formation of a hydrogen-bonded cocrystal","CrystEngComm","2009","11","3","470","","10.1039/b812531g","","","0.71073","MoKα","","0.0331","0.029","","","0.0712","0.0734","","","","","","1.071","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200294","5.0288","0.0003","5.4403","0.0003","18.7537","0.0011","93.062","0.003","94.81","0.003","90.74","0.002","510.45","0.05","180","2","180","2","","","","","","","","4","P -1","-P 1","2","nicotinamide:suberic acid 2:1","nicotinamide:suberic acid 2:1","","- C20 H26 N4 O6 -","- C20 H26 N4 O6 -","- C20 H26 N4 O6 -","1","0.5","","Karki, Shyam; Friščić, Tomislav; Jones, William","Control and interconversion of cocrystal stoichiometry in grinding: stepwise mechanism for the formation of a hydrogen-bonded cocrystal","CrystEngComm","2009","11","3","470","","10.1039/b812531g","","","0.71073","MoKα","","0.1719","0.08","","","0.137","0.1764","","","","","","1.045","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200295","8.6455","0.0001","36.5695","0.0006","5.2021","0.0001","90","","90","","90","","1644.7","0.05","180","2","180","2","","","","","","","","4","P n a 21","P 2c -2n","33","nicotinamide:azelaic acid 2:1","nicotinamide:azelaic acid 2:1","","- C15 H22 N2 O5 -","- C15 H22 N2 O5 -","- C60 H88 N8 O20 -","4","1","","Karki, Shyam; Friščić, Tomislav; Jones, William","Control and interconversion of cocrystal stoichiometry in grinding: stepwise mechanism for the formation of a hydrogen-bonded cocrystal","CrystEngComm","2009","11","3","470","","10.1039/b812531g","","","0.71073","MoKα","","0.0619","0.0408","","","0.0961","0.1065","","","","","","1.06","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200296","5.0365","0.0002","5.447","0.0002","20.5004","0.0009","89.354","0.002","84.241","0.002","89.872","0.002","559.53","0.04","180","2","180","2","","","","","","","","4","P -1","-P 1","2","nicotinamide:sebacic acid 2:1","nicotinamide:sebacic acid 2:1","","- C22 H30 N4 O6 -","- C22 H30 N4 O6 -","- C22 H30 N4 O6 -","1","0.5","","Karki, Shyam; Friščić, Tomislav; Jones, William","Control and interconversion of cocrystal stoichiometry in grinding: stepwise mechanism for the formation of a hydrogen-bonded cocrystal","CrystEngComm","2009","11","3","470","","10.1039/b812531g","","","0.71073","MoKα","","0.0703","0.0497","","","0.1143","0.1267","","","","","","1.043","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200297","23.405","0.006","13.707","0.006","30.577","0.009","90","","93.075","0.008","90","","9795","6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Cu4 (C12H8N2)6 (C24H8S8O24) 4.49H2O","","","- C96 H64.99 Cu4 N12 O28.49 S8 -","- C96 H56 Cu4 N12 O28.484 S8 -","- C384 H224 Cu16 N48 O113.936 S32 -","4","0.5","","Bi, Y. F.; Liao, W. P.; Wang, X. F.; Li, Y. L.; Su, Z. M.; Liu, Y. B.; Zhang, H. J.; Li, D. Q.","Five supramolecular compounds of water-soluble sulfonylcalix[4]arenetetrasulfonate showing two calixarene conformations","CrystEngComm","2009","11","4","597","","10.1039/b812582a","","","0.71073","MoKα","","0.1149","0.0603","","","0.1515","0.1803","","","","","","0.971","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200298","14.5485","0.0016","17.3505","0.0019","21.267","0.002","79.39","0.002","72.937","0.002","71.767","0.002","4849.1","0.9","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H82.96 N10 Na O38.88 S8 -","- C84 H32 N10 Na O38.865 S8 -","- C168 H64 N20 Na2 O77.73 S16 -","2","1","","Bi, Y. F.; Liao, W. P.; Wang, X. F.; Li, Y. L.; Su, Z. M.; Liu, Y. B.; Zhang, H. J.; Li, D. Q.","Five supramolecular compounds of water-soluble sulfonylcalix[4]arenetetrasulfonate showing two calixarene conformations","CrystEngComm","2009","11","4","597","","10.1039/b812582a","","","0.71073","MoKα","","0.1656","0.1092","","","0.3154","0.3472","","","","","","1.186","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200299","15.7743","0.0007","23.2212","0.001","27.8391","0.0012","102.911","0.001","101.887","0.001","97.072","0.001","9572.3","0.7","185","2","185","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H88.39 Mn N10 O40.7 S8 -","- C84 H52 Mn N10 O40.686 S8 -","- C336 H208 Mn4 N40 O162.744 S32 -","4","2","","Bi, Y. F.; Liao, W. P.; Wang, X. F.; Li, Y. L.; Su, Z. M.; Liu, Y. B.; Zhang, H. J.; Li, D. Q.","Five supramolecular compounds of water-soluble sulfonylcalix[4]arenetetrasulfonate showing two calixarene conformations","CrystEngComm","2009","11","4","597","","10.1039/b812582a","","","0.71073","MoKα","","0.1341","0.0893","","","0.2588","0.2884","","","","","","1.074","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7200300","12.5614","0.0011","27.357","0.002","17.1673","0.0011","90","","129.566","0.004","90","","4547.8","0.7","185","2","185","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Cu4 (C10H8N2)6 (C24H12S8O16) 8.62H2O","","","- C84 H73.24 Cu4 N12 O32.62 S8 -","- C84 H72 Cu4 N12 O32.62 S8 -","- C168 H144 Cu8 N24 O65.24 S16 -","2","0.5","","Bi, Y. F.; Liao, W. P.; Wang, X. F.; Li, Y. L.; Su, Z. M.; Liu, Y. B.; Zhang, H. J.; Li, D. Q.","Five supramolecular compounds of water-soluble sulfonylcalix[4]arenetetrasulfonate showing two calixarene conformations","CrystEngComm","2009","11","4","597","","10.1039/b812582a","","","0.71073","MoKα","","0.0586","0.0426","","","0.0959","0.1041","","","","","","1.022","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200301","12.6793","0.0014","13.7736","0.0015","14.5737","0.0016","94.752","0.002","93.952","0.002","107.064","0.001","2413.1","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C96 H78 N12 O35 S8 Zn4 -","- C96 H77.98 N12 O34.99 S8 Zn4 -","- C96 H77.98 N12 O34.99 S8 Zn4 -","1","0.5","","Bi, Y. F.; Liao, W. P.; Wang, X. F.; Li, Y. L.; Su, Z. M.; Liu, Y. B.; Zhang, H. J.; Li, D. Q.","Five supramolecular compounds of water-soluble sulfonylcalix[4]arenetetrasulfonate showing two calixarene conformations","CrystEngComm","2009","11","4","597","","10.1039/b812582a","","","0.71073","MoKα","","0.0864","0.0565","","","0.1128","0.1234","","","","","","0.98","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200302","37.129","0.007","14.135","0.004","26.074","0.003","90","","90","","90","","13684","5","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C58 H72 N14 Ni2 O15 -","- C40 H28 N8 Ni2 O9 -","- C320 H224 N64 Ni16 O72 -","8","0.5","","Yang, Guang-Sheng; Lan, Ya-Qian; Zang, Hong-Ying; Shao, Kui-Zhan; Wang, Xin-Long; Su, Zhong-Min; Jiang, Chun-Jie","Two eight-connected self-penetrating porous metal‒organic frameworks: configurational isomers caused by different linking modes between terephthalate and binuclear nickel building units","CrystEngComm","2009","11","2","274","","10.1039/b812643g","","","0.71069","MoKα","","0.0686","0.0607","","","0.1693","0.1759","","","","","","0.985","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200303","14.248","0.004","26.912","0.009","18.125","0.003","90","","100.584","0.006","90","","6832","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H75 N13 Ni2 O14 -","- C40 H28 N8 Ni2 O9 -","- C160 H112 N32 Ni8 O36 -","4","0.5","","Yang, Guang-Sheng; Lan, Ya-Qian; Zang, Hong-Ying; Shao, Kui-Zhan; Wang, Xin-Long; Su, Zhong-Min; Jiang, Chun-Jie","Two eight-connected self-penetrating porous metal‒organic frameworks: configurational isomers caused by different linking modes between terephthalate and binuclear nickel building units","CrystEngComm","2009","11","2","274","","10.1039/b812643g","","","0.71069","MoKα","","0.0793","0.0424","","","0.0638","0.0669","","","","","","0.987","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200304","13.3617","0.0002","13.3617","0.0002","15.8651","0.0005","90","","90","","120","","2453","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C75 H27 I2 N6 -","- C75 H27 I1.995 N6 -","- C150 H54 I3.99 N12 -","2","1","","Konarev, Dmitry V.; Khasanov, Salavat S.; Otsuka, Akihiro; Saito, Gunzi; Lyubovskaya, Rimma N.","Ionic fullerene complex (DMI+)3·(C60˙−)·(I−)2 with 2H-hexagonal fullerene packing and 3-D DMI±I− network","CrystEngComm","2009","11","5","811","","10.1039/b812803k","","","0.71073","MoKα","","0.0647","0.0524","","","0.1602","0.1696","","","","","","1.092","","","","has coordinates,has disorder","180334","2020-10-21","18:00:00",""
"7200305","13.3617","0.0002","13.3617","0.0002","15.8651","0.0005","90","","90","","120","","2453","0.09","100","2","100","2","","","","","","","","4","P -3 1 c","-P 3 2c","163","","","","- C75 H27 I2 N6 -","- C76.2 H27 I2 N6 -","- C152.4 H54 I4 N12 -","2","0.166667","","Konarev, Dmitry V.; Khasanov, Salavat S.; Otsuka, Akihiro; Saito, Gunzi; Lyubovskaya, Rimma N.","Ionic fullerene complex (DMI+)3·(C60˙−)·(I−)2 with 2H-hexagonal fullerene packing and 3-D DMI±I− network","CrystEngComm","2009","11","5","811","","10.1039/b812803k","","","0.71073","MoKα","","0.0838","0.0772","","","0.2324","0.2401","","","","","","1.081","","","","has coordinates,has disorder","180334","2020-10-21","18:00:00",""
"7200306","8.5289","0.0015","6.0505","0.001","14.924","0.002","90","","96.613","0.002","90","","765","0.2","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H13 Cd N O6 S2 -","- C12 H13 Cd N O6 S2 -","- C24 H26 Cd2 N2 O12 S4 -","2","1","","Chen, Zilu; Su, Yan; Xiong, Wei; Wang, Lixia; Liang, Fupei; Shao, Min","Controlling the dimensionalities and structures of homochiral Zn(ii) and Cd(ii) compounds of N-(p-tosyl)-S-carboxymethyl-l-cysteine via tuning the connecting modes of metal ions and chiral linkers by different kinds of ancillary ligands","CrystEngComm","2009","11","2","318","328","10.1039/b812807c","","","0.71073","MoKα","","0.0216","0.0204","","","0.0494","0.0503","","","","","","1.049","","","","has coordinates","218444","2020-10-21","18:00:00",""
"7200307","10.7419","0.0008","11.0361","0.0008","11.7804","0.0009","90","","115.396","0.001","90","","1261.6","0.16","273","2","273","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H23 Cd N3 O7 S2 -","- C22 H23 Cd N3 O7 S2 -","- C44 H46 Cd2 N6 O14 S4 -","2","1","","Chen, Zilu; Su, Yan; Xiong, Wei; Wang, Lixia; Liang, Fupei; Shao, Min","Controlling the dimensionalities and structures of homochiral Zn(ii) and Cd(ii) compounds of N-(p-tosyl)-S-carboxymethyl-l-cysteine via tuning the connecting modes of metal ions and chiral linkers by different kinds of ancillary ligands","CrystEngComm","2009","11","2","318","328","10.1039/b812807c","","","0.71073","MoKα","","0.0252","0.023","","","0.0513","0.0522","","","","","","1.039","","","","has coordinates,has disorder","218444","2020-10-21","18:00:00",""
"7200308","10.543","0.007","4.99","0.003","18.508","0.013","90","","95.337","0.01","90","","969.5","1.1","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H19 Cd N3 O7 S2 -","- C15 H19 Cd N3 O7 S2 -","- C30 H38 Cd2 N6 O14 S4 -","2","1","","Chen, Zilu; Su, Yan; Xiong, Wei; Wang, Lixia; Liang, Fupei; Shao, Min","Controlling the dimensionalities and structures of homochiral Zn(ii) and Cd(ii) compounds of N-(p-tosyl)-S-carboxymethyl-l-cysteine via tuning the connecting modes of metal ions and chiral linkers by different kinds of ancillary ligands","CrystEngComm","2009","11","2","318","328","10.1039/b812807c","","","0.71073","MoKα","","0.1027","0.0857","","","0.2143","0.2359","","","","","","1.04","","","","has coordinates","218444","2020-10-21","18:00:00",""
"7200309","5.0605","0.0008","10.4608","0.0017","36.916","0.006","90","","90","","90","","1954.2","0.5","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 N3 O7 S2 Zn -","- C15 H19 N3 O7 S2 Zn -","- C60 H76 N12 O28 S8 Zn4 -","4","1","","Chen, Zilu; Su, Yan; Xiong, Wei; Wang, Lixia; Liang, Fupei; Shao, Min","Controlling the dimensionalities and structures of homochiral Zn(ii) and Cd(ii) compounds of N-(p-tosyl)-S-carboxymethyl-l-cysteine via tuning the connecting modes of metal ions and chiral linkers by different kinds of ancillary ligands","CrystEngComm","2009","11","2","318","328","10.1039/b812807c","","","0.71073","MoKα","","0.0505","0.0405","","","0.0835","0.0881","","","","","","1.041","","","","has coordinates","218444","2020-10-21","18:00:00",""
"7200310","26.545","0.004","6.8628","0.001","17.018","0.003","90","","120.68","0.002","90","","2666.3","0.7","296","2","296","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C44 H50 N6 O16 S4 Zn2 -","- C44 H50 N6 O16 S4 Zn2 -","- C88 H100 N12 O32 S8 Zn4 -","2","0.5","","Chen, Zilu; Su, Yan; Xiong, Wei; Wang, Lixia; Liang, Fupei; Shao, Min","Controlling the dimensionalities and structures of homochiral Zn(ii) and Cd(ii) compounds of N-(p-tosyl)-S-carboxymethyl-l-cysteine via tuning the connecting modes of metal ions and chiral linkers by different kinds of ancillary ligands","CrystEngComm","2009","11","2","318","328","10.1039/b812807c","","","0.71073","MoKα","","0.0785","0.0546","","","0.1316","0.1495","","","","","","1.008","","","","has coordinates,has disorder","218444","2020-10-21","18:00:00",""
"7200311","6.2403","0.0003","10.7398","0.0004","14.7067","0.0007","98.713","0.003","91.987","0.002","101.32","0.003","953.2","0.07","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","1,1-bis(4-hydroxyphenyl)cyclohexane 1-butanol clathrate","","- C22 H30 O3 -","- C22 H30 O3 -","- C44 H60 O6 -","2","1","","Linder, Peter W.; Nassimbeni, Luigi R.; Su, Hong","Selectivity of butanol isomers by enclathration","CrystEngComm","2009","11","1","192","","10.1039/b812887a","","","0.71073","MoKα","","0.0843","0.047","","","0.1122","0.132","","","","","","1.029","","","","has coordinates,has disorder","180334","2020-10-21","18:00:00",""
"7200312","6.2995","0.001","28.658","0.002","10.9868","0.001","90","","102.579","0.003","90","","1935.8","0.4","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,1-bis(4-hydroxyphenyl)cyclohexane 2-butanol clathrate","","- C22 H30 O3 -","- C22 H30 O3 -","- C88 H120 O12 -","4","1","","Linder, Peter W.; Nassimbeni, Luigi R.; Su, Hong","Selectivity of butanol isomers by enclathration","CrystEngComm","2009","11","1","192","","10.1039/b812887a","","","0.71073","MoKα","","0.108","0.0564","","","0.1433","0.172","","","","","","1","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200313","6.2259","0.0002","10.8829","0.0006","15.2046","0.0008","94.029","0.002","100.875","0.003","101.498","0.003","985.15","0.08","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","1,1-bis(4-hydroxyphenyl)cyclohexane iso-butanol clathrate","","- C22 H30 O3 -","- C22 H30 O3 -","- C44 H60 O6 -","2","1","","Linder, Peter W.; Nassimbeni, Luigi R.; Su, Hong","Selectivity of butanol isomers by enclathration","CrystEngComm","2009","11","1","192","","10.1039/b812887a","","","0.71073","MoKα","","0.0839","0.0443","","","0.1022","0.1202","","","","","","1.021","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200314","15.203","0.002","15.203","0.002","5.019","0.001","90","","90","","90","","1160","0.3","291","2","291","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C4 H6 Ag N3 -","- C4 H6 Ag N3 -","- C32 H48 Ag8 N24 -","8","0.5","","Yang, Guang; Zhang, Pei-Pei; Liu, Li-Li; Kou, Jun-Feng; Hou, Hong-Wei; Fan, Yao-Ting","3D binary silver(I) 1,2,4-triazolates: syntheses, structures and topologies","CrystEngComm","2009","11","4","663","","10.1039/b813024h","","","0.71073","MoKα","","0.0266","0.0253","","","0.0553","0.0559","","","","","","1.048","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200315","12.536","0.003","28.624","0.006","8.8755","0.0018","90","","95.67","0.03","90","","3169.2","1.2","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C6 H10 Ag N3 -","- C6 H10 Ag N3 -","- C96 H160 Ag16 N48 -","16","2","","Yang, Guang; Zhang, Pei-Pei; Liu, Li-Li; Kou, Jun-Feng; Hou, Hong-Wei; Fan, Yao-Ting","3D binary silver(I) 1,2,4-triazolates: syntheses, structures and topologies","CrystEngComm","2009","11","4","663","","10.1039/b813024h","","","0.71073","MoKα","","0.0334","0.0237","","","0.0525","0.0568","","","","","","1.061","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200316","10.158","0.002","18.547","0.004","17.533","0.004","90","","96.64","0.03","90","","3281.1","1.2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H42 Ag3 N9 -","- C24 H40.626 Ag3 N9 -","- C96 H162.504 Ag12 N36 -","4","1","","Yang, Guang; Zhang, Pei-Pei; Liu, Li-Li; Kou, Jun-Feng; Hou, Hong-Wei; Fan, Yao-Ting","3D binary silver(I) 1,2,4-triazolates: syntheses, structures and topologies","CrystEngComm","2009","11","4","663","","10.1039/b813024h","","","0.71073","MoKα","","0.0489","0.0309","","","0.0764","0.0862","","","","","","1.011","","","","has coordinates,has disorder","180334","2020-10-21","18:00:00",""
"7200317","11.932","0.003","11.932","","12.776","0.003","90","","90","","120","","1575.3","0.5","298","2","298","2","","","","","","","","4","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C8 H14 Ag N3 -","- C8 H14 Ag N3 -","- C48 H84 Ag6 N18 -","6","0.5","","Yang, Guang; Zhang, Pei-Pei; Liu, Li-Li; Kou, Jun-Feng; Hou, Hong-Wei; Fan, Yao-Ting","3D binary silver(I) 1,2,4-triazolates: syntheses, structures and topologies","CrystEngComm","2009","11","4","663","","10.1039/b813024h","","","0.71073","MoKα","","0.0333","0.0316","","","0.0761","0.0774","","","","","","1.089","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200318","13.6784","0.0019","13.6784","0.0019","39.742","0.008","90","","90","","90","","7436","2","298","2","298","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C14 H10 Ag N3 -","- C14 H10 Ag N3 -","- C336 H240 Ag24 N72 -","24","1.5","","Yang, Guang; Zhang, Pei-Pei; Liu, Li-Li; Kou, Jun-Feng; Hou, Hong-Wei; Fan, Yao-Ting","3D binary silver(I) 1,2,4-triazolates: syntheses, structures and topologies","CrystEngComm","2009","11","4","663","","10.1039/b813024h","","","0.71073","MoKα","","0.0327","0.0304","","","0.0683","0.0693","","","","","","1.156","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200319","15.8572","0.0006","20.4459","0.0008","23.548","0.0009","106.003","0.002","103.677","0.002","95.378","0.002","7026.7","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- Co10 H176 K15 Li5 O272 P8 W48 -","- Co8.4 K14.6 Li5 O264.2 P8 W48 -","- Co8.4 K14.6 Li5 O264.2 P8 W48 -","1","0.5","","Mitchell, Scott G.; Gabb, David; Ritchie, Chris; Hazel, Nick; Long, De-Liang; Cronin, Leroy","Controlling nucleation of the cyclic heteropolyanion {P8W48}: a cobalt-substituted phosphotungstate chain and network","CrystEngComm","2009","11","1","36","","10.1039/b813066c","","","0.71073","MoKα","","0.1324","0.0573","","","0.1216","0.1536","","","","","","1.008","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7200320","25.3366","0.001","24.2239","0.0005","25.7804","0.0006","90","","111.247","0.003","90","","14747.2","0.8","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- Co10 H208 K8 Li12 O288 P8 W48 -","- Co9.9 K7.6 Li12 O230.6 P8 W48 -","- Co19.8 K15.2 Li24 O461.2 P16 W96 -","2","0.5","","Mitchell, Scott G.; Gabb, David; Ritchie, Chris; Hazel, Nick; Long, De-Liang; Cronin, Leroy","Controlling nucleation of the cyclic heteropolyanion {P8W48}: a cobalt-substituted phosphotungstate chain and network","CrystEngComm","2009","11","1","36","","10.1039/b813066c","","","0.71073","MoKα","","0.1268","0.0733","","","0.188","0.2094","","","","","","0.949","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7200321","11.403","0.002","4.4101","0.001","30.27","0.006","90","","100.807","0.005","90","","1495.2","0.5","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C72 H64 N8 O8 -","4","1","","Portell, Anna; Barbas, Rafael; Braga, Dario; Polito, Marco; Puigjaner, Cristina; Prohens, Rafel","New polymorphic hydrogen bonding donor‒acceptor system with two temperature coincident solid‒solid transitions","CrystEngComm","2009","11","1","52","","10.1039/b813086h","","","0.71073","MoKα","","0.0849","0.0623","","","0.1533","0.1776","","","","","","1.134","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200322","30.4956","0.0018","6.0254","0.0003","8.1984","0.0005","90","","96.76","0.006","90","","1495.97","0.15","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C72 H64 N8 O8 -","4","0.5","","Portell, Anna; Barbas, Rafael; Braga, Dario; Polito, Marco; Puigjaner, Cristina; Prohens, Rafel","New polymorphic hydrogen bonding donor‒acceptor system with two temperature coincident solid‒solid transitions","CrystEngComm","2009","11","1","52","","10.1039/b813086h","","","0.71073","MoKα","","0.1277","0.076","","","0.1771","0.1971","","","","","","1.122","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200324","7.3641","0.0018","18.938","0.005","8.707","0.002","90","","97.859","0.004","90","","1202.9","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 N8 O4 -","- C22 H30 N8 O4 -","- C44 H60 N16 O8 -","2","0.5","","Xu, Guan-Cheng; Hua, Qin; Okamura, Taka-aki; Bai, Zheng-Shuai; Ding, Yu-Jie; Huang, Yong-Qing; Liu, Guang-Xiang; Sun, Wei-Yin; Ueyama, Norikazu","Cadmium(ii) coordination polymers with flexible tetradentate ligand 1,2,4,5-tetrakis(imidazol-1-ylmethyl)benzene: anion effect and reversible anion exchange property","CrystEngComm","2009","11","2","261","","10.1039/b813220h","","","0.71073","MoKα","","0.0466","0.0436","","","0.1242","0.1273","","","","","","1","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200325","21.5594","0.0012","21.5594","0.0012","14.9195","0.0016","90","","90","","120","","6005.6","0.8","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C66 H78 Cd2 N28 O18 -","- C66 H66 Cd2 N28.02 O18.06 -","- C198 H198 Cd6 N84.06 O54.18 -","3","0.166667","","Xu, Guan-Cheng; Hua, Qin; Okamura, Taka-aki; Bai, Zheng-Shuai; Ding, Yu-Jie; Huang, Yong-Qing; Liu, Guang-Xiang; Sun, Wei-Yin; Ueyama, Norikazu","Cadmium(ii) coordination polymers with flexible tetradentate ligand 1,2,4,5-tetrakis(imidazol-1-ylmethyl)benzene: anion effect and reversible anion exchange property","CrystEngComm","2009","11","2","261","","10.1039/b813220h","","","0.71073","MoKα","","0.0797","0.0691","","","0.2181","0.2287","","","","","","1","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200326","21.297","0.006","21.297","0.006","15.38","0.004","90","","90","","120","","6041","3","200","","200","","","","","","","","","6","R -3 :H","-R 3","148","(Cd2(L)3)(ClO4)4-2(H2O)","[Cd2(L)3](ClO4)4-2(H2O)","","- C66 H70 Cd2 Cl4 N24 O18 -","- C66 H66 Cd2 Cl4.02 N24 O18.12 -","- C198 H198 Cd6 Cl12.06 N72 O54.36 -","3","0.166667","","Xu, Guan-Cheng; Hua, Qin; Okamura, Taka-aki; Bai, Zheng-Shuai; Ding, Yu-Jie; Huang, Yong-Qing; Liu, Guang-Xiang; Sun, Wei-Yin; Ueyama, Norikazu","Cadmium(ii) coordination polymers with flexible tetradentate ligand 1,2,4,5-tetrakis(imidazol-1-ylmethyl)benzene: anion effect and reversible anion exchange property","CrystEngComm","2009","11","2","261","","10.1039/b813220h","","","0.71075","MoKα","","0.0781","0.0589","","","0.1175","0.1249","","","","","","1.073","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200327","21.218","0.005","21.218","0.005","15.259","0.004","90","","90","","120","","5949","3","200","","200","","","","","","","","","7","R -3 :H","-R 3","148","(Cd2(L)3)(BF4)4-2(H2O)","[Cd2(L)3](BF4)4-2(H2O)","","- C66 H70 B4 Cd2 F16 N24 O2 -","- C66 H66 B4.02 Cd2 F16.08 N24 O2.04 -","- C198 H198 B12.06 Cd6 F48.24 N72 O6.12 -","3","0.166667","","Xu, Guan-Cheng; Hua, Qin; Okamura, Taka-aki; Bai, Zheng-Shuai; Ding, Yu-Jie; Huang, Yong-Qing; Liu, Guang-Xiang; Sun, Wei-Yin; Ueyama, Norikazu","Cadmium(ii) coordination polymers with flexible tetradentate ligand 1,2,4,5-tetrakis(imidazol-1-ylmethyl)benzene: anion effect and reversible anion exchange property","CrystEngComm","2009","11","2","261","","10.1039/b813220h","","","0.71075","MoKα","","0.0554","0.041","","","0.1002","0.1069","","","","","","1.089","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200328","11.0403","0.0016","8.906","0.0013","13.64","0.002","90","","109.155","0.003","90","","1266.9","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 Cd Cl2 N8 O2 -","- C22 H26 Cd Cl2 N8 O2 -","- C44 H52 Cd2 Cl4 N16 O4 -","2","0.5","","Xu, Guan-Cheng; Hua, Qin; Okamura, Taka-aki; Bai, Zheng-Shuai; Ding, Yu-Jie; Huang, Yong-Qing; Liu, Guang-Xiang; Sun, Wei-Yin; Ueyama, Norikazu","Cadmium(ii) coordination polymers with flexible tetradentate ligand 1,2,4,5-tetrakis(imidazol-1-ylmethyl)benzene: anion effect and reversible anion exchange property","CrystEngComm","2009","11","2","261","","10.1039/b813220h","","","0.71073","MoKα","","0.056","0.0462","","","0.1086","0.1141","","","","","","1.071","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200329","12.839","0.003","14.41","0.004","15.128","0.004","80.422","0.011","69.344","0.01","65.301","0.011","2378.7","1.1","200","","200","","","","","","","","","6","P -1","-P 1","2","(Cd2(H2O)(SO4)2(L)2)-2(H2O)","[Cd2(H2O)(SO4)2(L)2]-2(H2O)","","- C44 H50 Cd2 N16 O11 S2 -","- C44 H50 Cd2 N16 O11 S2 -","- C88 H100 Cd4 N32 O22 S4 -","2","1","","Xu, Guan-Cheng; Hua, Qin; Okamura, Taka-aki; Bai, Zheng-Shuai; Ding, Yu-Jie; Huang, Yong-Qing; Liu, Guang-Xiang; Sun, Wei-Yin; Ueyama, Norikazu","Cadmium(ii) coordination polymers with flexible tetradentate ligand 1,2,4,5-tetrakis(imidazol-1-ylmethyl)benzene: anion effect and reversible anion exchange property","CrystEngComm","2009","11","2","261","","10.1039/b813220h","","","0.71075","MoKα","","0.0338","0.0276","","","0.0613","0.0637","","","","","","1.043","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200330","10.116","0.002","10.116","0.002","31.186","0.005","90","","90","","90","","3191.4","1","200","","200","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","(Cd2(OH2)3(OSO3)2(L))-4(H2O)","[Cd2(OH2)3(OSO3)2(L)]-4(H2O)","","- C22 H36 Cd2 N8 O15 S2 -","- C22 H36 Cd2 N8 O15 S2 -","- C88 H144 Cd8 N32 O60 S8 -","4","0.5","","Xu, Guan-Cheng; Hua, Qin; Okamura, Taka-aki; Bai, Zheng-Shuai; Ding, Yu-Jie; Huang, Yong-Qing; Liu, Guang-Xiang; Sun, Wei-Yin; Ueyama, Norikazu","Cadmium(ii) coordination polymers with flexible tetradentate ligand 1,2,4,5-tetrakis(imidazol-1-ylmethyl)benzene: anion effect and reversible anion exchange property","CrystEngComm","2009","11","2","261","","10.1039/b813220h","","","0.71075","MoKα","","0.022","0.0209","","","0.0437","0.044","","","","","","1.075","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200331","12.0877","0.0015","16.227","0.002","9.2338","0.0011","90","","109.345","0.002","90","","1708.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Copper(ii) oxybis(benzoate)","","","- C16 H14 Cu O6 S -","- C16 H14 Cu O6 S -","- C64 H56 Cu4 O24 S4 -","4","1","","Xue, Dong-Xu; Lin, Jian-Bin; Zhang, Jie-Peng; Chen, Xiao-Ming","Syntheses, structures and sorption properties of two framework-isomeric porous copper-coordination polymers","CrystEngComm","2009","11","1","183","","10.1039/b813226g","","","0.71073","MoKα","","0.0782","0.0508","","","0.1096","0.1237","","","","","","1.017","","","","has coordinates,has disorder","180334","2020-10-21","18:00:00",""
"7200332","30.8976","0.0012","16.0853","0.0005","20.92","0.0006","90","","124.48","0.002","90","","8570.6","0.5","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Copper(ii) oxybis(benzoate)","","","- C33 H29 Cu2 N O12 -","- C33 H29 Cu2 N O12 -","- C264 H232 Cu16 N8 O96 -","8","1","","Xue, Dong-Xu; Lin, Jian-Bin; Zhang, Jie-Peng; Chen, Xiao-Ming","Syntheses, structures and sorption properties of two framework-isomeric porous copper-coordination polymers","CrystEngComm","2009","11","1","183","","10.1039/b813226g","","","0.71073","MoKα","","0.1143","0.0622","","","0.1724","0.1806","","","","","","1.029","","","","has coordinates,has disorder","180334","2020-10-21","18:00:00",""
"7200333","12.593","0.003","13.734","0.003","17.69","0.003","90","","97.43","0.011","90","","3033.8","1.1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H80 Fe2 N2 S12 -","- C48 H80 Fe2 N2 S12 -","- C96 H160 Fe4 N4 S24 -","2","0.5","","Neves, Ana Isabel Soares; Santos, Isabel Cordeiro; Belo, Dulce; Almeida, Manuel","Cation and ligand roles in the coordination of FeIII bisdithiolene complexes; the crystal structures of (BrBzPy)2[Fe(qdt)2]2 and [Fe(α-tpdt)2]22− salts","CrystEngComm","2009","11","6","1046","","10.1039/b813242a","","","0.71073","MoKα","","0.3038","0.1322","","","0.3258","0.3878","","","","","","1.041","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200334","7.3129","0.0004","11.4865","0.0007","17.0461","0.0011","100.625","0.003","98.672","0.003","106.991","0.003","1313.6","0.14","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H38 Br2 Fe2 N10 S8 -","- C56 H38 Br2 Fe2 N10 S8 -","- C56 H38 Br2 Fe2 N10 S8 -","1","0.5","","Neves, Ana Isabel Soares; Santos, Isabel Cordeiro; Belo, Dulce; Almeida, Manuel","Cation and ligand roles in the coordination of FeIII bisdithiolene complexes; the crystal structures of (BrBzPy)2[Fe(qdt)2]2 and [Fe(α-tpdt)2]22− salts","CrystEngComm","2009","11","6","1046","","10.1039/b813242a","","","0.71073","MoKα","","0.0933","0.0424","","","0.0723","0.0812","","","","","","0.903","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200335","12.5925","0.0006","11.089","0.0005","16.2457","0.0008","90","","106.464","0.003","90","","2175.51","0.18","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H48 Fe2 N2 S12 -","- C32 H48 Fe2 N2 S12 -","- C64 H96 Fe4 N4 S24 -","2","0.5","","Neves, Ana Isabel Soares; Santos, Isabel Cordeiro; Belo, Dulce; Almeida, Manuel","Cation and ligand roles in the coordination of FeIII bisdithiolene complexes; the crystal structures of (BrBzPy)2[Fe(qdt)2]2 and [Fe(α-tpdt)2]22− salts","CrystEngComm","2009","11","6","1046","","10.1039/b813242a","","","0.71069","MoKα","","0.1424","0.0627","","","0.1547","0.1794","","","","","","0.97","","","","has coordinates,has disorder","180334","2020-10-21","18:00:00",""
"7200336","9.3573","0.0005","25.3284","0.0015","10.0811","0.0006","90","","100.854","0.003","90","","2346.5","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H30 Br2 Fe2 N2 S12 -","- C40 H30 Br2 Fe2 N2 S12 -","- C80 H60 Br4 Fe4 N4 S24 -","2","0.5","","Neves, Ana Isabel Soares; Santos, Isabel Cordeiro; Belo, Dulce; Almeida, Manuel","Cation and ligand roles in the coordination of FeIII bisdithiolene complexes; the crystal structures of (BrBzPy)2[Fe(qdt)2]2 and [Fe(α-tpdt)2]22− salts","CrystEngComm","2009","11","6","1046","","10.1039/b813242a","","","0.71073","MoKα","","0.1621","0.0583","","","0.1346","0.1604","","","","","","0.867","","","","has coordinates,has disorder","180334","2020-10-21","18:00:00",""
"7200337","17.693","0.007","4.8374","0.0019","9.883","0.004","90","","99.391","0.01","90","","834.5","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 I2 N2 O2 -","- C16 H14 I2 N2 O2 -","- C32 H28 I4 N4 O4 -","2","0.5","","Samai, Suman; Biradha, Kumar","Halogen⋯halogen interactions in assembling β-sheets into 2D layers in the bis-(4-halo-phenylamido)alkanes and their co-crystals via inter-halogen interactions","CrystEngComm","2009","11","3","482","492","10.1039/b813263a","","","0.71073","MoKα","","0.0314","0.0278","","","0.0979","0.1038","","","","","","0.882","","","","has coordinates","218447","2020-10-21","18:00:00",""
"7200338","18.979","0.007","4.8064","0.0018","10.089","0.004","90","","93.319","0.01","90","","918.8","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 I2 N2 O2 -","- C18 H18 I2 N2 O2 -","- C36 H36 I4 N4 O4 -","2","0.5","","Samai, Suman; Biradha, Kumar","Halogen⋯halogen interactions in assembling β-sheets into 2D layers in the bis-(4-halo-phenylamido)alkanes and their co-crystals via inter-halogen interactions","CrystEngComm","2009","11","3","482","492","10.1039/b813263a","","","0.71073","MoKα","","0.0352","0.0309","","","0.0837","0.0983","","","","","","1.237","","","","has coordinates","218447","2020-10-21","18:00:00",""
"7200339","22.8808","0.0017","4.798","0.0004","10.2227","0.0008","90","","95.371","0.002","90","","1117.34","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 I2 N2 O2 -","- C22 H26 I2 N2 O2 -","- C44 H52 I4 N4 O4 -","2","0.5","","Samai, Suman; Biradha, Kumar","Halogen⋯halogen interactions in assembling β-sheets into 2D layers in the bis-(4-halo-phenylamido)alkanes and their co-crystals via inter-halogen interactions","CrystEngComm","2009","11","3","482","492","10.1039/b813263a","","","0.71073","MoKα","","0.0392","0.0276","","","0.0781","0.0938","","","","","","1.145","","","","has coordinates","218447","2020-10-21","18:00:00",""
"7200340","17.08","0.007","4.813","0.002","9.831","0.004","90","","100.057","0.012","90","","795.7","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Br2 N2 O2 -","- C16 H14 Br2 N2 O2 -","- C32 H28 Br4 N4 O4 -","2","0.5","","Samai, Suman; Biradha, Kumar","Halogen⋯halogen interactions in assembling β-sheets into 2D layers in the bis-(4-halo-phenylamido)alkanes and their co-crystals via inter-halogen interactions","CrystEngComm","2009","11","3","482","492","10.1039/b813263a","","","0.71073","MoKα","","0.0649","0.0392","","","0.1186","0.1427","","","","","","1.008","","","","has coordinates","218447","2020-10-21","18:00:00",""
"7200341","4.9461","0.0005","8.6603","0.0009","10.7293","0.0011","90.812","0.003","100.267","0.003","96.325","0.003","449.21","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H18 Br2 N2 O2 -","- C18 H18 Br2 N2 O2 -","- C18 H18 Br2 N2 O2 -","1","0.5","","Samai, Suman; Biradha, Kumar","Halogen⋯halogen interactions in assembling β-sheets into 2D layers in the bis-(4-halo-phenylamido)alkanes and their co-crystals via inter-halogen interactions","CrystEngComm","2009","11","3","482","492","10.1039/b813263a","","","0.71073","MoKα","","0.0528","0.0396","","","0.1258","0.1341","","","","","","1.074","","","","has coordinates","218447","2020-10-21","18:00:00",""
"7200342","22.113","0.003","5.1003","0.0007","17.945","0.003","90","","106.259","0.004","90","","1942.9","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H22 Br2 N2 O2 -","- C20 H22 Br2 N2 O2 -","- C80 H88 Br8 N8 O8 -","4","0.5","","Samai, Suman; Biradha, Kumar","Halogen⋯halogen interactions in assembling β-sheets into 2D layers in the bis-(4-halo-phenylamido)alkanes and their co-crystals via inter-halogen interactions","CrystEngComm","2009","11","3","482","492","10.1039/b813263a","","","0.71073","MoKα","","0.0483","0.0301","","","0.0781","0.0838","","","","","","1.023","","","","has coordinates","218447","2020-10-21","18:00:00",""
"7200343","8.4189","0.0006","9.4168","0.0006","9.7128","0.0007","90","","92.498","0.002","90","","769.29","0.09","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Cl2 N2 O2 -","- C16 H14 Cl2 N2 O2 -","- C32 H28 Cl4 N4 O4 -","2","0.5","","Samai, Suman; Biradha, Kumar","Halogen⋯halogen interactions in assembling β-sheets into 2D layers in the bis-(4-halo-phenylamido)alkanes and their co-crystals via inter-halogen interactions","CrystEngComm","2009","11","3","482","492","10.1039/b813263a","","","0.71073","MoKα","","0.0417","0.0389","","","0.1606","0.1643","","","","","","1.485","","","","has coordinates","218447","2020-10-21","18:00:00",""
"7200344","8.2555","0.0007","10.9653","0.0009","9.4726","0.0008","90","","96.294","0.002","90","","852.33","0.12","293","2","243","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Cl2 N2 O2 -","- C18 H18 Cl2 N2 O2 -","- C36 H36 Cl4 N4 O4 -","2","0.5","","Samai, Suman; Biradha, Kumar","Halogen⋯halogen interactions in assembling β-sheets into 2D layers in the bis-(4-halo-phenylamido)alkanes and their co-crystals via inter-halogen interactions","CrystEngComm","2009","11","3","482","492","10.1039/b813263a","","","0.71073","MoKα","","0.0317","0.0302","","","0.0833","0.0845","","","","","","1.065","","","","has coordinates","218447","2020-10-21","18:00:00",""
"7200345","21.87","0.008","5.1043","0.0019","17.683","0.007","90","","105.685","0.01","90","","1900.5","1.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H22 Cl2 N2 O2 -","- C20 H22 Cl2 N2 O2 -","- C80 H88 Cl8 N8 O8 -","4","0.5","","Samai, Suman; Biradha, Kumar","Halogen⋯halogen interactions in assembling β-sheets into 2D layers in the bis-(4-halo-phenylamido)alkanes and their co-crystals via inter-halogen interactions","CrystEngComm","2009","11","3","482","492","10.1039/b813263a","","","0.71073","MoKα","","0.0442","0.0364","","","0.1022","0.1063","","","","","","1.038","","","","has coordinates","218447","2020-10-21","18:00:00",""
"7200346","7.7199","0.0004","5.7814","0.0003","32.4814","0.0017","90","","94.019","0.002","90","","1446.14","0.13","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 F2 N2 O2 -","- C16 H14 F2 N2 O2 -","- C64 H56 F8 N8 O8 -","4","1","","Samai, Suman; Biradha, Kumar","Halogen⋯halogen interactions in assembling β-sheets into 2D layers in the bis-(4-halo-phenylamido)alkanes and their co-crystals via inter-halogen interactions","CrystEngComm","2009","11","3","482","492","10.1039/b813263a","","","0.71073","MoKα","","0.0751","0.0548","","","0.167","0.1817","","","","","","1.044","","","","has coordinates","218447","2020-10-21","18:00:00",""
"7200347","11.3328","0.0008","9.5211","0.0006","15.3985","0.0011","90","","90","","90","","1661.5","0.2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H18 F2 N2 O2 -","- C18 H18 F2 N2 O2 -","- C72 H72 F8 N8 O8 -","4","0.5","","Samai, Suman; Biradha, Kumar","Halogen⋯halogen interactions in assembling β-sheets into 2D layers in the bis-(4-halo-phenylamido)alkanes and their co-crystals via inter-halogen interactions","CrystEngComm","2009","11","3","482","492","10.1039/b813263a","","","0.71073","MoKα","","0.0629","0.0459","","","0.1377","0.1483","","","","","","1.034","","","","has coordinates","218447","2020-10-21","18:00:00",""
"7200348","18.084","0.003","5.0326","0.0007","39.311","0.005","90","","96.792","0.004","90","","3552.6","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H22 F2 N2 O2 -","- C20 H22 F2 N2 O2 -","- C160 H176 F16 N16 O16 -","8","1","","Samai, Suman; Biradha, Kumar","Halogen⋯halogen interactions in assembling β-sheets into 2D layers in the bis-(4-halo-phenylamido)alkanes and their co-crystals via inter-halogen interactions","CrystEngComm","2009","11","3","482","492","10.1039/b813263a","","","0.71073","MoKα","","0.0901","0.0501","","","0.1225","0.1427","","","","","","0.978","","","","has coordinates","218447","2020-10-21","18:00:00",""
"7200349","18.1488","0.0012","5.0327","0.0003","43.84","0.003","90","","99.817","0.002","90","","3945.6","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H26 F2 N2 O2 -","- C22 H26 F2 N2 O2 -","- C176 H208 F16 N16 O16 -","8","1","","Samai, Suman; Biradha, Kumar","Halogen⋯halogen interactions in assembling β-sheets into 2D layers in the bis-(4-halo-phenylamido)alkanes and their co-crystals via inter-halogen interactions","CrystEngComm","2009","11","3","482","492","10.1039/b813263a","","","0.71073","MoKα","","0.0843","0.052","","","0.15","0.17","","","","","","1.002","","","","has coordinates","218447","2020-10-21","18:00:00",""
"7200350","17.459","0.005","4.8268","0.0013","9.851","0.003","90","","99.666","0.009","90","","818.4","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Br I N2 O2 -","- C16 H14 Br I N2 O2 -","- C32 H28 Br2 I2 N4 O4 -","2","0.5","","Samai, Suman; Biradha, Kumar","Halogen⋯halogen interactions in assembling β-sheets into 2D layers in the bis-(4-halo-phenylamido)alkanes and their co-crystals via inter-halogen interactions","CrystEngComm","2009","11","3","482","492","10.1039/b813263a","","","0.71073","MoKα","","0.0827","0.0428","","","0.1118","0.1494","","","","","","1.116","","","","has coordinates","218447","2020-10-21","18:00:00",""
"7200351","18.9243","0.0009","4.8077","0.0002","10.1235","0.0005","90","","93.535","0.001","90","","919.31","0.07","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Br I N2 O2 -","- C18 H18 Br I N2 O2 -","- C36 H36 Br2 I2 N4 O4 -","2","0.5","","Samai, Suman; Biradha, Kumar","Halogen⋯halogen interactions in assembling β-sheets into 2D layers in the bis-(4-halo-phenylamido)alkanes and their co-crystals via inter-halogen interactions","CrystEngComm","2009","11","3","482","492","10.1039/b813263a","","","0.71073","MoKα","","0.0344","0.0307","","","0.0894","0.0922","","","","","","1.09","","","","has coordinates","218447","2020-10-21","18:00:00",""
"7200352","9.751","0.0006","11.2001","0.0007","9.6534","0.0006","90","","119.494","0.002","90","","917.64","0.1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Br Cl N2 O2 -","- C18 H18 Br Cl N2 O2 -","- C36 H36 Br2 Cl2 N4 O4 -","2","0.5","","Samai, Suman; Biradha, Kumar","Halogen⋯halogen interactions in assembling β-sheets into 2D layers in the bis-(4-halo-phenylamido)alkanes and their co-crystals via inter-halogen interactions","CrystEngComm","2009","11","3","482","492","10.1039/b813263a","","","0.71073","MoKα","","0.0773","0.0475","","","0.1263","0.1341","","","","","","0.892","","","","has coordinates","218447","2020-10-21","18:00:00",""
"7200353","22.022","0.004","5.1048","0.001","17.836","0.003","90","","106.024","0.005","90","","1927.2","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H22 Br Cl N2 O2 -","- C20 H22 Br Cl N2 O2 -","- C80 H88 Br4 Cl4 N8 O8 -","4","0.5","","Samai, Suman; Biradha, Kumar","Halogen⋯halogen interactions in assembling β-sheets into 2D layers in the bis-(4-halo-phenylamido)alkanes and their co-crystals via inter-halogen interactions","CrystEngComm","2009","11","3","482","492","10.1039/b813263a","","","0.71073","MoKα","","0.0574","0.0336","","","0.0818","0.089","","","","","","0.974","","","","has coordinates","218447","2020-10-21","18:00:00",""
"7200354","9.751","0.002","9.591","0.0019","16.301","0.003","90","","97.27","0.03","90","","1512.2","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Cl N3 O -","- C16 H18 Cl N3 O -","- C64 H72 Cl4 N12 O4 -","4","1","","Jenkins, Samir; Incarvito, Christopher D.; Parr, Jonathan; Wasserman, Harry H.","Structural studies of C-ring substituted unnatural analogues of prodigiosin","CrystEngComm","2009","11","2","242","245","10.1039/b813351d","","","0.71073","MoKα","","0.236","0.0846","","","0.1663","0.2297","","","","","","0.959","","","","has coordinates","218450","2020-10-21","18:00:00",""
"7200355","17.048","0.003","17.811","0.004","9.3594","0.0019","90","","93.61","0.03","90","","2836.3","1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N3 O -","- C16 H17 N3 O -","- C128 H136 N24 O8 -","8","2","","Jenkins, Samir; Incarvito, Christopher D.; Parr, Jonathan; Wasserman, Harry H.","Structural studies of C-ring substituted unnatural analogues of prodigiosin","CrystEngComm","2009","11","2","242","245","10.1039/b813351d","","","0.71073","MoKα","","0.2305","0.0832","","","0.1587","0.2041","","","","","","1.007","","","","has coordinates","218450","2020-10-21","18:00:00",""
"7200356","7.377","0.008","8.038","0.003","33.627","0.006","90","","95.6","0.04","90","","1984","2","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C21 H20 Cl N4 O S -","- C21 H20 Cl N4 O S -","- C84 H80 Cl4 N16 O4 S4 -","4","1","","Portell, Anna; Barbas, Rafael; Font-Bardia, Mercè; Dalmases, Pere; Prohens, Rafel; Puigjaner, Cristina","Ziprasidone malate, a new trimorphic salt with improved aqueous solubility","CrystEngComm","2009","11","5","791","","10.1039/b813401d","","","0.71073","MoKα","","0.1451","0.0508","","","0.1441","0.2362","","","","","","0.995","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200357","19.7","0.02","4.891","0.006","9.64","0.012","90","","95.33","0.02","90","","924.8","1.9","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 O4 Zn -","- C10 H8 O4 Zn -","- C40 H32 O16 Zn4 -","4","1","","Liu, Tianfu; Lü, Jian; Shi, Linxi; Guo, Zhengang; Cao, Rong","Conformation control of a flexible 1,4-phenylenediacetate ligand in coordination complexes: a rigidity-modulated strategy","CrystEngComm","2009","11","4","583","","10.1039/b813444h","","","0.7107","MoKα","","0.0587","0.0463","","","0.1372","0.1696","","","","","","1.08","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200358","9.836","0.007","6.149","0.004","8.882","0.006","90","","100.85","0.015","90","","527.6","0.6","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 Mn O6 -","- C10 H8 Mn O6 -","- C20 H16 Mn2 O12 -","2","0.5","","Liu, Tianfu; Lü, Jian; Shi, Linxi; Guo, Zhengang; Cao, Rong","Conformation control of a flexible 1,4-phenylenediacetate ligand in coordination complexes: a rigidity-modulated strategy","CrystEngComm","2009","11","4","583","","10.1039/b813444h","","","0.71073","MoKα","","0.069","0.0398","","","0.1348","0.1789","","","","","","1.001","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7200359","9.7","0.004","10.47","0.005","10.5","0.005","113.98","0.004","96.83","0.004","105.56","0.002","906.6","0.7","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 N2 O5 Zn -","- C20 H16 N2 O5 Zn -","- C40 H32 N4 O10 Zn2 -","2","1","","Liu, Tianfu; Lü, Jian; Shi, Linxi; Guo, Zhengang; Cao, Rong","Conformation control of a flexible 1,4-phenylenediacetate ligand in coordination complexes: a rigidity-modulated strategy","CrystEngComm","2009","11","4","583","","10.1039/b813444h","","","0.71073","MoKα","","0.0968","0.0703","","","0.1814","0.2047","","","","","","0.979","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200360","9.814","0.003","10.545","0.003","10.595","0.003","112.508","0.006","106.884","0.011","96.478","0.004","937.6","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 Co N2 O5 -","- C20 H16 Co N2 O5 -","- C40 H32 Co2 N4 O10 -","2","1","","Liu, Tianfu; Lü, Jian; Shi, Linxi; Guo, Zhengang; Cao, Rong","Conformation control of a flexible 1,4-phenylenediacetate ligand in coordination complexes: a rigidity-modulated strategy","CrystEngComm","2009","11","4","583","","10.1039/b813444h","","","0.71073","MoKα","","0.0765","0.0557","","","0.1548","0.1918","","","","","","1.075","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200361","9.814","0.003","10.545","0.003","10.595","0.003","112.508","0.006","106.884","0.011","96.478","0.004","937.6","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 Cd N2 O5 -","- C20 H16 Cd N2 O5 -","- C40 H32 Cd2 N4 O10 -","2","1","","Liu, Tianfu; Lü, Jian; Shi, Linxi; Guo, Zhengang; Cao, Rong","Conformation control of a flexible 1,4-phenylenediacetate ligand in coordination complexes: a rigidity-modulated strategy","CrystEngComm","2009","11","4","583","","10.1039/b813444h","","","0.71073","MoKα","","0.1003","0.0603","","","0.1474","0.1933","","","","","","1.072","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200362","16.675","0.003","28.71","0.006","23.663","0.005","90","","100.23","0.03","90","","11148","4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C104 H120 Mn6 N21 O24 -","- C104 H114 Mn6 N21 O24 -","- C416 H456 Mn24 N84 O96 -","4","0.5","","Moon, Dohyun; Song, Jiheh; Lah, Myoung Soo","2D Layered metal‒organic frameworks built using a hexanuclear metallamacrocycle and an octanuclear metallamacrocycle as supramolecular building blocks","CrystEngComm","2009","11","5","770","","10.1039/b813603c","","","0.8","synchrotron","","0.0675","0.0646","","","0.1823","0.1849","","","","","","1.048","","","","has coordinates,has disorder","180334","2020-10-21","18:00:00",""
"7200363","26.988","0.003","26.988","0.003","29.158","0.005","90","","90","","90","","21237","5","173","2","173","2","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C120 H132 Mn8 N24 O28 -","- C120 H56 Mn8 N24 O28 -","- C480 H224 Mn32 N96 O112 -","4","0.25","","Moon, Dohyun; Song, Jiheh; Lah, Myoung Soo","2D Layered metal‒organic frameworks built using a hexanuclear metallamacrocycle and an octanuclear metallamacrocycle as supramolecular building blocks","CrystEngComm","2009","11","5","770","","10.1039/b813603c","","","0.71073","MoKα","","0.1522","0.0837","","","0.2243","0.2523","","","","","","0.883","","","","has coordinates,has disorder","180334","2020-10-21","18:00:00",""
"7200364","26.804","0.004","26.804","0.004","29.874","0.006","90","","90","","90","","21463","6","100","2","100","2","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C120 H132 Mn8 N24 O28 -","- C120 H32 Mn8 N24 O28 -","- C480 H128 Mn32 N96 O112 -","4","0.25","","Moon, Dohyun; Song, Jiheh; Lah, Myoung Soo","2D Layered metal‒organic frameworks built using a hexanuclear metallamacrocycle and an octanuclear metallamacrocycle as supramolecular building blocks","CrystEngComm","2009","11","5","770","","10.1039/b813603c","","","0.9","synchrotron","","0.1304","0.1264","","","0.421","0.4309","","","","","","2.086","","","","has coordinates,has disorder","180334","2020-10-21","18:00:00",""
"7200365","22.334","0.003","15.584","0.002","17.996","0.002","90","","99.605","0.002","90","","6175.8","1.3","173","2","173","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- C66.2 H84 O5 -","- C66.2 H84 O5 -","- C264.8 H336 O20 -","4","0.5","","Tian, Jian; Dalgarno, Scott J.; Thallapally, Praveen K.; Atwood, Jerry L.","Increased control over the desolvation of p-tert-butylcalix[5]arene","CrystEngComm","2009","11","1","33","","10.1039/b813628a","","","0.71073","MoKα","","0.1136","0.0694","","","0.1736","0.196","","","","","","1.03","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7200366","14.4535","0.0015","7.3436","0.0008","17.428","0.002","90","","100.205","0.002","90","","1820.6","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H30 Cl2 Cu2 N6 S6 -","- C30 H30 Cl2 Cu2 N6 S6 -","- C60 H60 Cl4 Cu4 N12 S12 -","2","0.5","","Bianketti, Sławomir; Blake, Alexander J.; Wilson, Claire; Hubberstey, Peter; Champness, Neil R.; Schröder, Martin","Second-sphere hydrogen-bonding in heteroditopic mercaptopyridinium copper(I) frameworks","CrystEngComm","2009","11","5","763","","10.1039/b813672f","","","0.71073","MoKα","","0.0502","0.0288","","","0.0536","0.0578","","","","","","0.912","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200367","7.5448","0.0013","9.807","0.002","14.037","0.002","86.553","0.003","86.287","0.003","78.243","0.003","1013.5","0.3","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H38 Cu2 F6 N6 O2 S6 Si -","- C32 H38 Cu2 F6 N6 O2 S6 Si -","- C32 H38 Cu2 F6 N6 O2 S6 Si -","1","0.5","","Bianketti, Sławomir; Blake, Alexander J.; Wilson, Claire; Hubberstey, Peter; Champness, Neil R.; Schröder, Martin","Second-sphere hydrogen-bonding in heteroditopic mercaptopyridinium copper(I) frameworks","CrystEngComm","2009","11","5","763","","10.1039/b813672f","","","0.71073","MoKα","","0.0528","0.0342","","","0.0755","0.0808","","","","","","0.947","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200368","10.2694","0.0007","10.5731","0.0008","16.786","0.0012","72.924","0.001","80.353","0.001","81.628","0.001","1708.6","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H56 Cu4 N14 O14 S10 -","- C50 H50 Cu4 N14 O12 S10 -","- C50 H50 Cu4 N14 O12 S10 -","1","0.5","","Bianketti, Sławomir; Blake, Alexander J.; Wilson, Claire; Hubberstey, Peter; Champness, Neil R.; Schröder, Martin","Second-sphere hydrogen-bonding in heteroditopic mercaptopyridinium copper(I) frameworks","CrystEngComm","2009","11","5","763","","10.1039/b813672f","","","0.71073","MoKα","","0.0307","0.0283","","","0.0797","0.0815","","","","","","1.067","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200369","23.242","0.005","15.31","0.003","28.12","0.006","90","","97.551","0.005","90","","9919","4","150","2","150","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C72.5 H95 B2 Cu6 F20 N13 O7.5 S13 Si2 -","- C70 H77 B2 Cu6 F20 N13 O5 S13 Si2 -","- C280 H308 B8 Cu24 F80 N52 O20 S52 Si8 -","4","1","","Bianketti, Sławomir; Blake, Alexander J.; Wilson, Claire; Hubberstey, Peter; Champness, Neil R.; Schröder, Martin","Second-sphere hydrogen-bonding in heteroditopic mercaptopyridinium copper(I) frameworks","CrystEngComm","2009","11","5","763","","10.1039/b813672f","","","0.71073","MoKα","","0.174","0.0677","","","0.151","0.173","","","","","","0.78","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7200370","11.695","0.0007","14.2219","0.0008","22.1864","0.0014","90","","102.442","0.001","90","","3603.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 Hg3 N12 S6 -","- C27 H21 Hg3 N12 S6 -","- C108 H84 Hg12 N48 S24 -","4","1","","Mahmoudi, Ghodrat; Morsali, Ali","Novel rare case of 2D + 1D = 2D polycatenation Hg(ii) coordination polymer","CrystEngComm","2009","11","1","50","","10.1039/b813701n","","","0.71073","MoKα","","0.0578","0.043","","","0.0977","0.1064","","","","","","1.009","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200371","8.0705","0.0003","22.0328","0.0006","32.3698","0.0011","90","","90.269","0.003","90","","5755.8","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C93 H105 Ag3 Cl3 N12 O20 S14 -","- C93 H81 Ag3 Cl3 N12 O20 S14 -","- C186 H162 Ag6 Cl6 N24 O40 S28 -","2","0.5","","Yang, Qing-Yuan; Zheng, Sheng-Run; Yang, Rui; Pan, Mei; Cao, Rong; Su, Cheng-Yong","An unusual 3D coordination polymer assembled through parallel interpenetrating and polycatenating of (6,3) nets","CrystEngComm","2009","11","4","680","","10.1039/b813767f","","","0.71073","MoKα","","0.1779","0.1188","","","0.2231","0.2443","","","","","","1.11","","","","has coordinates,has disorder","180334","2020-10-21","18:00:00",""
"7200372","5.5826","0.001","9.587","0.003","10.054","0.004","90","","96.19","0.02","90","","535","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-Chlorophenol","2-Chlorophenol","","- C6 H5 Cl O -","- C6 H5 Cl O -","- C24 H20 Cl4 O4 -","4","1","","Oswald, Iain D. H.; Crichton, Wilson A.","Structural similarities of 2-chlorophenol and 2-methylphenol","CrystEngComm","2009","11","3","463","","10.1039/b813878h","","","0.71073","MoKα","","0.1576","0.067","","","0.1195","0.14","","","","","","1.017","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200373","16.1628","0.0002","16.1628","0.0002","5.9006","0.0001","90","","90","","120","","1334.93","0.03","100","2","100","2","","","","","","","","4","P 32","P 32","145","(0.45)2-METHYLPHENOL:(0.55)2-CHLOROPHENOL","(0.45)2-METHYLPHENOL:(0.55)2-CHLOROPHENOL","","- C6.45 H6.34 Cl0.55 O -","- C6.44667 H6.34 Cl0.553333 O -","- C58.02 H57.06 Cl4.98 O9 -","9","3","","Oswald, Iain D. H.; Crichton, Wilson A.","Structural similarities of 2-chlorophenol and 2-methylphenol","CrystEngComm","2009","11","3","463","","10.1039/b813878h","","","0.71073","MoKα","","0.048","0.0405","","","0.099","0.1024","","","","","","1.046","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7200374","16.4153","0.0002","16.4153","0.0002","5.7931","0.0002","90","","90","","120","","1351.88","0.05","100","2","100","2","","","","","","","","3","P 32","P 32","145","2-methylphenol","2-methylphenol","","- C7 H8 O -","- C7 H8 O -","- C63 H72 O9 -","9","3","","Oswald, Iain D. H.; Crichton, Wilson A.","Structural similarities of 2-chlorophenol and 2-methylphenol","CrystEngComm","2009","11","3","463","","10.1039/b813878h","","","0.71073","MoKα","","0.0445","0.0431","","","0.1038","0.1048","","","","","","1.069","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200375","5.9637","0.0004","4.7006","0.0003","19.769","0.003","90","","92.792","0.01","90","","553.53","0.1","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","2-methylphenol","2-methylphenol","","- C7 H8 O -","- C7 H8 O -","- C28 H32 O4 -","4","1","","Oswald, Iain D. H.; Crichton, Wilson A.","Structural similarities of 2-chlorophenol and 2-methylphenol","CrystEngComm","2009","11","3","463","","10.1039/b813878h","","","0.71073","MoKα","","0.1286","0.087","","","0.1957","0.2256","","","","","","1.122","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200378","36.322","0.003","36.322","0.003","36.322","0.003","90","","90","","90","","47919","7","173","2","173","2","","","","","","","","7","I a -3 d","-I 4bd 2c 3","230","","","","- C72 H102 Ag6 F36 N6 P6 S12 -","- C72 H102 Ag6 F36 N6 P6 S12 -","- C1152 H1632 Ag96 F576 N96 P96 S192 -","16","0.166667","","Park, Sunhong; Lee, So Young; Jo, Minhye; Lee, Jai Young; Lee, Shim Sung","Molecular botanical garden: assembly of supramolecular silver(I) and mercury(II) complexes of NS2-donor macrocycles with flower-, leaf- and tree-shaped structures","CrystEngComm","2009","11","1","43","","10.1039/b814051k","","","0.71073","MoKα","","0.0561","0.0433","","","0.1194","0.1266","","","","","","1.112","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200379","11.4605","0.0005","11.6121","0.0006","13.1785","0.0006","90.294","0.001","99.549","0.001","94.075","0.001","1724.87","0.14","173","2","173","2","","","","","","","","7","P 1","P 1","1","","","","- C55 H76 Ag3 F18 N4 P3 S8 -","- C55 H76 Ag3 F18 N4 P3 S8 -","- C55 H76 Ag3 F18 N4 P3 S8 -","1","1","","Park, Sunhong; Lee, So Young; Jo, Minhye; Lee, Jai Young; Lee, Shim Sung","Molecular botanical garden: assembly of supramolecular silver(I) and mercury(II) complexes of NS2-donor macrocycles with flower-, leaf- and tree-shaped structures","CrystEngComm","2009","11","1","43","","10.1039/b814051k","","","0.71073","MoKα","","0.0579","0.0535","","","0.134","0.1397","","","","","","1.049","","","","has coordinates,has disorder","180334","2020-10-21","18:00:00",""
"7200380","18.2813","0.0008","8.1124","0.0004","26.4524","0.0012","90","","90","","90","","3923","0.3","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H17 Br4 Hg2 N S2 -","- C12 H17 Br4 Hg2 N S2 -","- C96 H136 Br32 Hg16 N8 S16 -","8","1","","Park, Sunhong; Lee, So Young; Jo, Minhye; Lee, Jai Young; Lee, Shim Sung","Molecular botanical garden: assembly of supramolecular silver(I) and mercury(II) complexes of NS2-donor macrocycles with flower-, leaf- and tree-shaped structures","CrystEngComm","2009","11","1","43","","10.1039/b814051k","","","0.71073","MoKα","","0.0802","0.0463","","","0.1018","0.1191","","","","","","1.016","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200381","18.9518","0.0019","8.5212","0.0009","27.755","0.003","90","","90","","90","","4482.2","0.8","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H17 Hg2 I4 N S2 -","- C12 H17 Hg2 I4 N S2 -","- C96 H136 Hg16 I32 N8 S16 -","8","1","","Park, Sunhong; Lee, So Young; Jo, Minhye; Lee, Jai Young; Lee, Shim Sung","Molecular botanical garden: assembly of supramolecular silver(I) and mercury(II) complexes of NS2-donor macrocycles with flower-, leaf- and tree-shaped structures","CrystEngComm","2009","11","1","43","","10.1039/b814051k","","","0.71073","MoKα","","0.0693","0.0427","","","0.1084","0.1331","","","","","","1.118","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200382","13.5645","0.0011","11.9094","0.001","12.4053","0.001","90","","104.114","0.002","90","","1943.5","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H17 Br4 Hg2 N S2 -","- C12 H17 Br4 Hg2 N S2 -","- C48 H68 Br16 Hg8 N4 S8 -","4","1","","Park, Sunhong; Lee, So Young; Jo, Minhye; Lee, Jai Young; Lee, Shim Sung","Molecular botanical garden: assembly of supramolecular silver(I) and mercury(II) complexes of NS2-donor macrocycles with flower-, leaf- and tree-shaped structures","CrystEngComm","2009","11","1","43","","10.1039/b814051k","","","0.71073","MoKα","","0.1129","0.0778","","","0.1806","0.212","","","","","","1.002","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200383","8.3016","0.0008","8.8946","0.0009","11.7703","0.0013","83.191","0.003","81.216","0.003","67.746","0.003","793.19","0.14","123","1","123","1","","","","","","","","6","P -1","-P 1","2","[Cu(2,2'-bipy)(cdm)Cl]2.2MeOH","[Cu(2,2'-bipy)(cdm)Cl]2.2MeOH","","- C30 H28 Cl2 Cu2 N10 O4 -","- C30 H28 Cl2 Cu2 N10 O4 -","- C30 H28 Cl2 Cu2 N10 O4 -","1","0.5","","Turner, David R.; Pek, Sze Nee; Batten, Stuart R.","Destabilisation of a dual-synthon hydrogen bonding motif by packing effects and competing hydrogen bond donors","CrystEngComm","2009","11","1","87","","10.1039/b814158d","","","0.71073","MoKα","","0.0593","0.0438","","","0.0895","0.1007","","","","","","1.076","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200384","7.4044","0.0007","9.934","0.0009","12.0617","0.0013","108.736","0.005","91.509","0.005","99.329","0.005","826.15","0.14","123","1","123","1","","","","","","","","6","P -1","-P 1","2","[Cu(cdm)Cl(1,10-phen)]2.2MeOH","[(carbamoyldicyanomethanide)(chloro)(1,10-phenanthroline)copper(II)] methanol solvate","","- C34 H28 Cl2 Cu2 N10 O4 -","- C34 H28 Cl2 Cu2 N10 O4 -","- C34 H28 Cl2 Cu2 N10 O4 -","1","0.5","","Turner, David R.; Pek, Sze Nee; Batten, Stuart R.","Destabilisation of a dual-synthon hydrogen bonding motif by packing effects and competing hydrogen bond donors","CrystEngComm","2009","11","1","87","","10.1039/b814158d","","","0.71073","MoKα","","0.04","0.0314","","","0.0717","0.0759","","","","","","1.05","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200385","8.1154","0.001","8.9932","0.0009","11.154","0.0011","113.154","0.006","101.507","0.006","101.847","0.006","696.12","0.14","123","1","123","1","","","","","","","","5","P -1","-P 1","2","[Cu(cdm)(acac)(H2O)]2.4H2O","[Cu(cdm)(acac)(H2O)]2.4H2O","","- C18 H30 Cu2 N6 O12 -","- C18 H22 Cu2 N6 O12 -","- C18 H22 Cu2 N6 O12 -","1","0.5","","Turner, David R.; Pek, Sze Nee; Batten, Stuart R.","Destabilisation of a dual-synthon hydrogen bonding motif by packing effects and competing hydrogen bond donors","CrystEngComm","2009","11","1","87","","10.1039/b814158d","","","0.71073","MoKα","","0.052","0.043","","","0.1039","0.1105","","","","","","1.07","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200386","17.8128","0.0012","28.874","0.003","7.1606","0.0006","90","","90","","90","","3682.9","0.6","123","1","123","1","","","","","","","","5","F d d 2","F 2 -2d","43","[Cu(cdm)2(NH2(CH2)3NH2)2]","[Cu(cdm)2(NH2(CH2)3NH2)2]","","- C14 H24 Cu N10 O2 -","- C14 H24 Cu N10 O2 -","- C112 H192 Cu8 N80 O16 -","8","0.5","","Turner, David R.; Pek, Sze Nee; Batten, Stuart R.","Destabilisation of a dual-synthon hydrogen bonding motif by packing effects and competing hydrogen bond donors","CrystEngComm","2009","11","1","87","","10.1039/b814158d","","","0.71073","MoKα","","0.036","0.0305","","","0.0628","0.065","","","","","","0.974","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7200387","10.5476","0.0007","11.586","0.0007","12.2153","0.0007","88.998","0.003","67.186","0.002","84.951","0.003","1370.42","0.15","123","1","123","1","","","","","","","","6","P -1","-P 1","2","MnPhenCl","MnPhenCl","","- C29 H23 Cl Mn N7 O2.5 -","- C29 H22 Cl Mn N7 O2.5 -","- C58 H44 Cl2 Mn2 N14 O5 -","2","1","","Turner, David R.; Pek, Sze Nee; Batten, Stuart R.","Destabilisation of a dual-synthon hydrogen bonding motif by packing effects and competing hydrogen bond donors","CrystEngComm","2009","11","1","87","","10.1039/b814158d","","","0.71073","MoKα","","0.0541","0.0422","","","0.0995","0.1089","","","","","","1.06","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7200388","15.197","0.003","13.262","0.003","15.716","0.003","90","","107.2","0.03","90","","3025.8","1.2","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,3 lutidine pamoate","","","- C37 H34 N2 O6 -","- C37 H34 N2 O6 -","- C148 H136 N8 O24 -","4","1","","Haynes, Delia A.; Weng, Ze F.; Jones, William; Motherwell, W. D. Samuel","The crystal structures of three novel lutidinium pamoate salts","CrystEngComm","2009","11","2","254","260","10.1039/b814214a","","","0.71073","MoKα","","0.0817","0.0518","","","0.1073","0.1237","","","","","","1.027","","","","has coordinates","218453","2020-10-21","18:00:00",""
"7200389","8.2989","0.0017","11.453","0.002","16.924","0.003","72.76","0.03","85.65","0.03","77.85","0.03","1501.7","0.6","180","2","180","2","","","","","","","","4","P -1","-P 1","2","2,4 lutidine pamoate","","","- C37 H34 N2 O6 -","- C37 H34 N2 O6 -","- C74 H68 N4 O12 -","2","1","","Haynes, Delia A.; Weng, Ze F.; Jones, William; Motherwell, W. D. Samuel","The crystal structures of three novel lutidinium pamoate salts","CrystEngComm","2009","11","2","254","260","10.1039/b814214a","","","0.71073","MoKα","","0.1352","0.0801","","","0.2129","0.2502","","","","","","1.035","","","","has coordinates","218453","2020-10-21","18:00:00",""
"7200390","11.196","0.002","12.653","0.003","22.963","0.005","104.32","0.03","103.24","0.03","91.58","0.03","3055.9","1.3","180","2","180","2","","","","","","","","4","P -1","-P 1","2","3,4 lutidine pamoate","","","- C37 H34 N2 O6 -","- C37 H34 N2 O6 -","- C148 H136 N8 O24 -","4","2","","Haynes, Delia A.; Weng, Ze F.; Jones, William; Motherwell, W. D. Samuel","The crystal structures of three novel lutidinium pamoate salts","CrystEngComm","2009","11","2","254","260","10.1039/b814214a","","","0.71073","MoKα","","0.085","0.057","","","0.1355","0.1537","","","","","","1.162","","","","has coordinates","218453","2020-10-21","18:00:00",""
"7200391","9.1158","0.0003","9.9478","0.0004","13.7725","0.0005","90","","90","","90","","1248.92","0.08","150","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1,2-bis-(2-aminobenzoyl)hydrazine","1,2-bis-(2-aminobenzoyl)hydrazine","","- C14 H14 N4 O2 -","- C14 H14 N4 O2 -","- C56 H56 N16 O8 -","4","1","","Arthur, Richard J.; Coogan, Michael P.; Casadesus, Meritxell; Haigh, Robert; Headspith, D. A.; Francesconi, M. Grazia; Laye, Rebecca H.","Stereostructural behaviour of N‒N atropisomers: Two conglomerate crystallisations and a crystallisation-induced deracemisation","CrystEngComm","2009","11","4","610","619","10.1039/b814424a","","","0.71073","MoKα","","0.1064","0.0564","","","0.1266","0.155","","","","","","0.936","","","","has coordinates","218457","2020-10-21","18:00:00",""
"7200392","8.054","0.002","10.367","0.003","9.995","0.003","90","","108.174","0.011","90","","792.9","0.4","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","2,2'-Dimethyl-3,3'-biquinazoline-4-thio-4'-one","2,2'-Dimethyl-3,3'-biquinazoline-4-thio-4'-one","","- C18 H14 N4 O S -","- C18 H14 N4 O S -","- C36 H28 N8 O2 S2 -","2","1","","Arthur, Richard J.; Coogan, Michael P.; Casadesus, Meritxell; Haigh, Robert; Headspith, D. A.; Francesconi, M. Grazia; Laye, Rebecca H.","Stereostructural behaviour of N‒N atropisomers: Two conglomerate crystallisations and a crystallisation-induced deracemisation","CrystEngComm","2009","11","4","610","619","10.1039/b814424a","","","0.71073","MoKα","","0.058","0.0505","","","0.1373","0.1437","","","","","","1.035","","","","has coordinates","218457","2020-10-21","18:00:00",""
"7200393","15.979","0.003","14.653","0.003","18.466","0.004","90","","90","","90","","4323.6","1.5","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2,2'-Diphenyl-3,3-biquinazoline-4,4-dione","2,2'-Diphenyl-3,3-biquinazoline-4,4-dione","","- C28 H18 N4 O2 -","- C28 H18 N4 O2 -","- C224 H144 N32 O16 -","8","1","","Arthur, Richard J.; Coogan, Michael P.; Casadesus, Meritxell; Haigh, Robert; Headspith, D. A.; Francesconi, M. Grazia; Laye, Rebecca H.","Stereostructural behaviour of N‒N atropisomers: Two conglomerate crystallisations and a crystallisation-induced deracemisation","CrystEngComm","2009","11","4","610","619","10.1039/b814424a","","","0.71073","MoKα","","0.1221","0.0423","","","0.1201","0.1478","","","","","","0.852","","","","has coordinates","218457","2020-10-21","18:00:00",""
"7200394","10.362","0.002","10.943","0.002","25.892","0.005","90","","90","","90","","2935.9","1","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(S,S)-1,2-bis-(2-benzoyloxypropanoyl)-1,2-dibenzoylhydrazine","(S,S)-1,2-bis- (2-benzoyloxypropanoyl)-1,2-dibenzoylhydrazine","","- C34 H28 N2 O8 -","- C34 H28 N2 O8 -","- C136 H112 N8 O32 -","4","1","","Arthur, Richard J.; Coogan, Michael P.; Casadesus, Meritxell; Haigh, Robert; Headspith, D. A.; Francesconi, M. Grazia; Laye, Rebecca H.","Stereostructural behaviour of N‒N atropisomers: Two conglomerate crystallisations and a crystallisation-induced deracemisation","CrystEngComm","2009","11","4","610","619","10.1039/b814424a","","","0.71073","MoKα","","0.0793","0.0387","","","0.1099","0.1422","","","","","","1.111","","","","has coordinates","218457","2020-10-21","18:00:00",""
"7200395","15.5178","0.0011","19.7909","0.0012","22.0219","0.0016","90","","90","","90","","6763.2","0.8","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H39 Cl3 N4 O8 S2 -","- C25 H39 Cl3 N4 O8 S2 -","- C200 H312 Cl24 N32 O64 S16 -","8","2","","Guha, Samit; Drew, Michael G. B.; Banerjee, Arindam","Solvent-induced dynamic single-crystal-to-single-crystal transformation of a synthetic peptide-based cyclic compound","CrystEngComm","2009","11","5","756","","10.1039/b814454k","","","0.71073","MoKα","","0.2929","0.0789","","","0.1459","0.1814","","","","","","0.711","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200396","24.866","0.005","5.1362","0.0008","24.893","0.005","90","","111.12","0.02","90","","2965.7","1","100","2","100","2","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C24 H38 N4 O8 S2 -","- C24 H38 N4 O8 S2 -","- C96 H152 N16 O32 S8 -","4","1","","Guha, Samit; Drew, Michael G. B.; Banerjee, Arindam","Solvent-induced dynamic single-crystal-to-single-crystal transformation of a synthetic peptide-based cyclic compound","CrystEngComm","2009","11","5","756","","10.1039/b814454k","","","0.71073","MoKα","","0.1186","0.0701","","","0.1128","0.1187","","","","","","0.951","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200402","28.6832","0.0008","5.0572","0.0001","7.9245","0.0003","90","","90","","90","","1149.5","0.06","100","1","100","1","","","","","","","","4","P 21 21 2","P 2 2ab","18","(S,S)-(-)-decamethylene bis(3,3,3-trifluorolactate) hexane ether mixed solvate","","","- C18.12 H29 F6 O6.08 -","- C16 H24 F6 O6 -","- C32 H48 F12 O12 -","2","0.5","","Katagiri, Toshimasa; Takahashi, Satoshi; Tanaka, Yasuhiro; Kawabata, Kouji; Hattori, Yoshiyuki; Kaneko, Katsumi; Uneyama, Kenji","Gas storage in soft 1D nano-tunnels by the induced fit of a serration structure","CrystEngComm","2009","11","2","347","","10.1039/b814508c","","","0.71069","MoKα","","0.0379","0.0361","","","0.0941","0.0949","","","","","","1.121","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200406","13.101","0.007","10.531","0.006","19.954","0.01","90","","103.86","0.007","90","","2673","2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 Br Cl3 N2 O -","- C27 H22 Br Cl3 N2 O -","- C108 H88 Br4 Cl12 N8 O4 -","4","1","","Zhu, Yuan-Yuan; Jiang, Long; Li, Zhan-Ting","Intramolecular six-membered N‒H⋯Br and N‒H⋯I hydrogen bonding in aromatic amides in the absence of competing interactions","CrystEngComm","2009","11","2","235","","10.1039/b814859g","","","0.71073","MoKα","","0.1285","0.0626","","","0.165","0.2014","","","","","","1.031","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200407","13.107","0.005","10.608","0.004","19.586","0.008","90","","102.603","0.005","90","","2657.6","1.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 Cl3 I N2 O -","- C27 H22 Cl3 I N2 O -","- C108 H88 Cl12 I4 N8 O4 -","4","1","","Zhu, Yuan-Yuan; Jiang, Long; Li, Zhan-Ting","Intramolecular six-membered N‒H⋯Br and N‒H⋯I hydrogen bonding in aromatic amides in the absence of competing interactions","CrystEngComm","2009","11","2","235","","10.1039/b814859g","","","0.71073","MoKα","","0.0618","0.046","","","0.1019","0.111","","","","","","1.032","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200408","10.0756","0.0013","13.5573","0.0017","16.036","0.002","99.681","0.003","95.973","0.002","99.563","0.002","2109.6","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H43 Br N2 O4 -","- C50 H43 Br N2 O4 -","- C100 H86 Br2 N4 O8 -","2","1","","Zhu, Yuan-Yuan; Jiang, Long; Li, Zhan-Ting","Intramolecular six-membered N‒H⋯Br and N‒H⋯I hydrogen bonding in aromatic amides in the absence of competing interactions","CrystEngComm","2009","11","2","235","","10.1039/b814859g","","","0.71073","MoKα","","0.1139","0.0622","","","0.1375","0.161","","","","","","0.868","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200409","11.3955","0.0011","11.1852","0.0011","27.326","0.003","90","","93.064","0.002","90","","3478","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H36 Br Cl3 N2 O2 -","- C38 H36 Br Cl3 N2 O2 -","- C152 H144 Br4 Cl12 N8 O8 -","4","1","","Zhu, Yuan-Yuan; Jiang, Long; Li, Zhan-Ting","Intramolecular six-membered N‒H⋯Br and N‒H⋯I hydrogen bonding in aromatic amides in the absence of competing interactions","CrystEngComm","2009","11","2","235","","10.1039/b814859g","","","0.71073","MoKα","","0.1219","0.07","","","0.1899","0.2144","","","","","","0.923","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200410","11.8909","0.0011","10.2401","0.0009","28.515","0.003","90","","92.568","0.002","90","","3468.6","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H43 Br N2 O4 -","- C41 H43 Br N2 O4 -","- C164 H172 Br4 N8 O16 -","4","1","","Zhu, Yuan-Yuan; Jiang, Long; Li, Zhan-Ting","Intramolecular six-membered N‒H⋯Br and N‒H⋯I hydrogen bonding in aromatic amides in the absence of competing interactions","CrystEngComm","2009","11","2","235","","10.1039/b814859g","","","0.71073","MoKα","","0.0951","0.056","","","0.1295","0.1418","","","","","","0.896","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200411","8.292","0.002","9.416","0.003","15.73","0.004","77.792","0.003","85.614","0.003","65.372","0.003","1091.1","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H19 Br N2 O3 -","- C26 H19 Br N2 O3 -","- C52 H38 Br2 N4 O6 -","2","1","","Zhu, Yuan-Yuan; Jiang, Long; Li, Zhan-Ting","Intramolecular six-membered N‒H⋯Br and N‒H⋯I hydrogen bonding in aromatic amides in the absence of competing interactions","CrystEngComm","2009","11","2","235","","10.1039/b814859g","","","0.71073","MoKα","","0.0448","0.0349","","","0.0806","0.0856","","","","","","1.046","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200412","8.4506","0.0009","9.3577","0.001","15.3062","0.0016","92.232","0.001","95.942","0.001","111.294","0.001","1117.9","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H19 I N2 O3 -","- C26 H19 I N2 O3 -","- C52 H38 I2 N4 O6 -","2","1","","Zhu, Yuan-Yuan; Jiang, Long; Li, Zhan-Ting","Intramolecular six-membered N‒H⋯Br and N‒H⋯I hydrogen bonding in aromatic amides in the absence of competing interactions","CrystEngComm","2009","11","2","235","","10.1039/b814859g","","","0.71073","MoKα","","0.0346","0.03","","","0.0655","0.0687","","","","","","1.087","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200413","38.3092","0.0006","38.3092","0.0006","47.3977","0.0013","90","","90","","120","","60241","2","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C40 H28 Mg2 O13 -","- C40 H28 Mg2 O13 -","- C1440 H1008 Mg72 O468 -","36","2","","Volkringer, Christophe; Loiseau, Thierry; Marrot, Jérôme; Férey, Gérard","A MOF-type magnesium benzene-1,3,5-tribenzoate with two-fold interpenetrated ReO3 nets","CrystEngComm","2009","11","1","58","","10.1039/b814943g","","","0.71073","MoKα","","0.1697","0.0647","","","0.1555","0.1849","","","","","","0.929","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200414","13.716","0.002","13.8647","0.0019","16.472","0.002","78.644","0.004","88.534","0.005","78.516","0.004","3009.3","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H46 I10 N7 Nd O8 Pb4 -","- C24 H46 I10 N7 Nd O8 Pb4 -","- C48 H92 I20 N14 Nd2 O16 Pb8 -","2","1","","Liu, Jibo; Li, Haohong; Chen, Zhirong; Guo, Liangqia; Huang, Changcang; Li, Junqian","A 2-D framework incorporating lanthanide metal complex linkers into polymeric iodoplumbate","CrystEngComm","2009","11","4","545","548","10.1039/b814992e","","","0.71069","MoKα","","0.0705","0.0625","","","0.1295","0.1346","","","","","","1.188","","","","has coordinates","218460","2020-10-21","18:00:00",""
"7200415","17.342","0.006","17.226","0.018","17.589","0.017","90","","103.71","0.06","90","","5105","8","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","ssh0471","","","- C96 H112 Br4 Cu2 N24 O8 -","- C96 H112 Br4 Cu2 N24 O8 -","- C192 H224 Br8 Cu4 N48 O16 -","2","1","","Piepenbrock, Marc-Oliver M.; Anderson, Kirsty M.; Sansam, Benedict C. R.; Clarke, Nigel; Steed, Jonathan W.","Structural similarity of hydrogen-bonded and metal-coordinated abiotic base pairs allows oligonucleotide-like mutual stacking,","CrystEngComm","2009","11","1","118","","10.1039/b815252g","","","0.6941","synchrotron","","0.1358","0.1071","","","0.27","0.2887","","","","","","1.052","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200416","5.8645","0.0004","7.5587","0.0005","8.1625","0.0006","77.744","0.002","76.991","0.001","83.633","0.001","343.75","0.04","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C3 H4 Cu N7 -","- C3 H4 Cu N7 -","- C6 H8 Cu2 N14 -","2","1","","Massoud, Alshima'a A.; Abu-Youssef, Morsy A. M.; Vejpravová, Jana Poltierová; Langer, Vratislav; Öhrström, Lars","Methyl groups control coordination number, stoichiometry, network and magnetism in a Cu(ii)-azide-pyrazine (6,3) 2D net","CrystEngComm","2009","11","2","223","225","10.1039/b815264k","","","0.71073","MoKα","","0.0618","0.0417","","","0.0733","0.0804","","","","","","1.046","","","","has coordinates","218386","2020-10-21","18:00:00",""
"7200417","10.0626","0.0019","5.9468","0.0007","13.438","0.002","90","","95.501","0.012","90","","800.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H4 Co N2 O4 -","- C9 H4 Co N2 O4 -","- C36 H16 Co4 N8 O16 -","4","1","","Wei, Yongqin; Yu, Yunfang; Sa, Rongjian; Li, Qiaohong; Wu, Kechen","Two cobalt(II) coordination polymers [Co2(H2O)4(Hbidc)2]n and [Co(Hbidc)]n (Hbidc = 1H-benzimidazole-5,6-dicarboxylate): syntheses, crystal structures, and magnetic properties","CrystEngComm","2009","11","6","1054","","10.1039/b815464c","","","0.71073","MoKα","","0.0411","0.0324","","","0.079","0.0832","","","","","","1.06","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200418","8.795","0.005","9.031","0.005","12.909","0.007","90","","97.18","0.01","90","","1017.3","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 Co N2 O6 -","- C9 H8 Co N2 O6 -","- C36 H32 Co4 N8 O24 -","4","1","","Wei, Yongqin; Yu, Yunfang; Sa, Rongjian; Li, Qiaohong; Wu, Kechen","Two cobalt(II) coordination polymers [Co2(H2O)4(Hbidc)2]n and [Co(Hbidc)]n (Hbidc = 1H-benzimidazole-5,6-dicarboxylate): syntheses, crystal structures, and magnetic properties","CrystEngComm","2009","11","6","1054","","10.1039/b815464c","","","0.71073","MoKα","","0.0421","0.0345","","","0.0946","0.1005","","","","","","1.025","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200419","10.6261","0.0006","10.3755","0.0004","10.9553","0.0005","90","","113.786","0.003","90","","1105.24","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 O7 U -","- C8 H12 O7 U -","- C32 H48 O28 U4 -","4","1","","Thuéry, Pierre","Two novel uranyl‒organic frameworks with cyclohexane-1,3-dicarboxylate ligands","CrystEngComm","2009","11","2","232","234","10.1039/b815481c","","","0.71073","MoKα","","0.053","0.0384","","","0.0934","0.1","","","","","","1.012","","","","has coordinates,has disorder","218389","2020-10-21","18:00:00",""
"7200420","9.9445","0.0003","22.9894","0.0009","15.6684","0.0007","90","","93.096","0.003","90","","3576.9","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H48 O21 U2 -","- C26 H48 O21 U2 -","- C104 H192 O84 U8 -","4","1","","Thuéry, Pierre","Two novel uranyl‒organic frameworks with cyclohexane-1,3-dicarboxylate ligands","CrystEngComm","2009","11","2","232","234","10.1039/b815481c","","","0.71073","MoKα","","0.0486","0.0379","","","0.0933","0.0971","","","","","","1.039","","","","has coordinates","218389","2020-10-21","18:00:00",""
"7200421","8.2621","0.001","8.3419","0.001","19.247","0.002","101.726","0.002","92.286","0.002","92.437","0.002","1296.1","0.3","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H23 Cd2 N2 O15 -","- C22 H23 Cd2 N2 O15 -","- C44 H46 Cd4 N4 O30 -","2","1","","Bo Zheng; Junfeng Bai","An unprecedented nanoscale trilayered polythreading coordination array hierarchically formed from 2D square grid networks and induced by protonated 1,2-bis(4-pyridyl)ethane","CrystEngComm","2009","11","2","271","273","10.1039/b815555k","","","0.71073","MoKα","","0.0428","0.0361","","","0.0867","0.0894","","","","","","0.986","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200422","8.0087","0.0016","8.1857","0.0016","8.3767","0.0017","85.3","0.002","71.493","0.002","83.153","0.002","516.47","0.18","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 Cd N2 O10 -","- C20 H18 Cd N2 O10 -","- C20 H18 Cd N2 O10 -","1","0.5","","Bo Zheng; Junfeng Bai","An unprecedented nanoscale trilayered polythreading coordination array hierarchically formed from 2D square grid networks and induced by protonated 1,2-bis(4-pyridyl)ethane","CrystEngComm","2009","11","2","271","273","10.1039/b815555k","","","0.71073","MoKα","","0.028","0.0269","","","0.066","0.0663","","","","","","1.055","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200423","22.1046","0.0016","22.1046","0.0016","9.7539","0.0015","90","","90","","90","","4765.9","0.9","173","2","173","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C40 H56 Co4 O20 -","- C40 H56 Co4 O20 -","- C160 H224 Co16 O80 -","4","0.25","","Shu-Hua Zhang; You Song; Hong Liang; Ming-Hua Zeng","Microwave-assisted synthesis, crystal structure and properties of a disc-like heptanuclear Co(II) cluster and a heterometallic cubanic Co(II) cluster","CrystEngComm","2009","11","5","865","872","10.1039/b815675a","","","0.71073","MoKα","","0.0524","0.0349","","","0.0877","0.0971","","","","","","1.077","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200424","14.1188","0.0011","14.1188","0.0011","9.6675","0.0015","90","","90","","120","","1668.9","0.3","293","2","293","2","","","","","","","","6","P -3","-P 3","147","","","","- C54 H66 Cl2 Co7 N6 O26 -","- C54 H66 Cl2 Co7 N6 O26 -","- C54 H66 Cl2 Co7 N6 O26 -","1","0.166667","","Shu-Hua Zhang; You Song; Hong Liang; Ming-Hua Zeng","Microwave-assisted synthesis, crystal structure and properties of a disc-like heptanuclear Co(II) cluster and a heterometallic cubanic Co(II) cluster","CrystEngComm","2009","11","5","865","872","10.1039/b815675a","","","0.71073","MoKα","","0.1126","0.0877","","","0.2338","0.2457","","","","","","1.172","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7200425","17.1568","0.0012","17.1568","0.0012","27.247","0.003","90","","90","","120","","6945.8","1","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C74 H89 Co6 N13 Na2 O32 S6 -","- C74 H89 Co6 N13 Na2 O32 S6 -","- C222 H267 Co18 N39 Na6 O96 S18 -","3","0.166667","","Shu-Hua Zhang; You Song; Hong Liang; Ming-Hua Zeng","Microwave-assisted synthesis, crystal structure and properties of a disc-like heptanuclear Co(II) cluster and a heterometallic cubanic Co(II) cluster","CrystEngComm","2009","11","5","865","872","10.1039/b815675a","","","0.71073","MoKα","","0.0856","0.0515","","","0.1455","0.1732","","","","","","1.022","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200426","16.0491","0.0008","16.0491","0.0008","15.3683","0.0016","90","","90","","90","","3958.5","0.5","173","2","173","2","","","","","","","","7","I 4/m c m","-I 4 2c","140","","","","- C80 H136 F24 N16 O36 Si4 Zn4 -","- C80 H64 F24 N16 O36 Si4 Zn4 -","- C80 H64 F24 N16 O36 Si4 Zn4 -","1","0.03125","","Lin, Mei-Jin; Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: modulation of size and shape of cuboid 3-D coordination networks","CrystEngComm","2009","11","1","189","","10.1039/b815695f","","","0.71073","MoKα","","0.1091","0.0886","","","0.2779","0.306","","","","","","1.065","","","","has coordinates,has disorder","180335","2020-10-21","18:00:00",""
"7200427","19.594","0.0003","19.594","0.0003","15.0666","0.0005","90","","90","","90","","5784.4","0.2","173","2","173","2","","","","","","","","7","I 4/m c m","-I 4 2c","140","","","","- C26.97 H18.97 Cl8.9 F6 N4 Si Zn -","- C26.968 H18.968 Cl8.904 F6 N4 Si Zn -","- C107.872 H75.872 Cl35.616 F24 N16 Si4 Zn4 -","4","0.125","","Lin, Mei-Jin; Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: modulation of size and shape of cuboid 3-D coordination networks","CrystEngComm","2009","11","1","189","","10.1039/b815695f","","","0.71073","MoKα","","0.1601","0.1088","","","0.2958","0.3287","","","","","","1.239","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7200428","22.0593","0.0013","22.0593","0.0013","15.0937","0.0018","90","","90","","90","","7344.8","1.1","173","2","173","2","","","","","","","","6","I 4/m c m","-I 4 2c","140","","","","- C32 H24 F6 N4 Si Zn -","- C32 H24 F6 N4 Si Zn -","- C128 H96 F24 N16 Si4 Zn4 -","4","0.125","","Lin, Mei-Jin; Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: modulation of size and shape of cuboid 3-D coordination networks","CrystEngComm","2009","11","1","189","","10.1039/b815695f","","","0.71073","MoKα","","0.0931","0.0704","","","0.186","0.1927","","","","","","1.013","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7200429","11.6713","0.0016","11.9766","0.0016","12.9","0.0017","100.226","0.002","105.549","0.003","118.571","0.002","1422.6","0.3","273","2","273","2","","","","","","","","6","P -1","-P 1","2","tetra(pyrazole)copper(ii)(tri(pyrazole)copper(ii)) decavanadate","tetra(pyrazole)copper(ii)(tri(pyrazole)copper(ii)) decavanadate","","- C30 H40 Cu3 N20 O28 V10 -","- C30 H40 Cu3 N20 O28 V10 -","- C30 H40 Cu3 N20 O28 V10 -","1","0.5","","Thomas, Jency; Agarwal, Monika; Ramanan, Arunachalam; Chernova, Natasha; Whittingham, M. Stanley","Copper pyrazole directed crystallization of decavanadates: synthesis and characterization of {Cu(pz)}4[{Cu(pz)3}2V10O28] and (Hpz)2[{Cu(pz)4}2V10O28]·2H2O","CrystEngComm","2009","11","4","625","","10.1039/b815840a","","","0.71073","MoKα","","0.0578","0.0501","","","0.0995","0.1026","","","","","","1.199","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200430","11.582","0.002","11.659","0.001","12.451","0.002","114.66","0.003","107.439","0.002","91.639","0.003","1434.7","0.4","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H21 Cu N10 O15 V5 -","- C15 H21 Cu N10 O15 V5 -","- C30 H42 Cu2 N20 O30 V10 -","2","1","","Thomas, Jency; Agarwal, Monika; Ramanan, Arunachalam; Chernova, Natasha; Whittingham, M. Stanley","Copper pyrazole directed crystallization of decavanadates: synthesis and characterization of {Cu(pz)}4[{Cu(pz)3}2V10O28] and (Hpz)2[{Cu(pz)4}2V10O28]·2H2O","CrystEngComm","2009","11","4","625","","10.1039/b815840a","","","0.71073","MoKα","","0.0627","0.0552","","","0.1304","0.1396","","","","","","1.244","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200431","8.0602","0.0007","5.7898","0.0005","18.0494","0.0015","90","","114.606","0.002","90","","765.82","0.11","300","","300","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","beta-Nitrostyrene","β-Nitrostyrene","","- C8 H7 N O2 -","- C8 H7 N O2 -","- C32 H28 N4 O8 -","4","1","","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Crystalline-state conformational change of β-nitrostyrenes and its freezing at low temperature","CrystEngComm","2009","11","4","638","","10.1039/b815869j","","","0.71073","MoKα","","0.093","0.055","","","0.1349","0.1624","","","","","","1.03","","","","has coordinates,has disorder","180335","2020-10-21","18:00:00",""
"7200432","8.0411","0.0006","5.7561","0.0004","17.876","0.0014","90","","114.04","0.001","90","","755.63","0.1","250","","250","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","beta-Nitrostyrene","β-Nitrostyrene","","- C8 H7 N O2 -","- C8 H7 N O2 -","- C32 H28 N4 O8 -","4","1","","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Crystalline-state conformational change of β-nitrostyrenes and its freezing at low temperature","CrystEngComm","2009","11","4","638","","10.1039/b815869j","","","0.71073","MoKα","","0.0685","0.0477","","","0.1246","0.1425","","","","","","1.041","","","","has coordinates,has disorder","180335","2020-10-21","18:00:00",""
"7200433","8.0279","0.0006","5.7186","0.0004","17.6994","0.0013","90","","113.47","0.001","90","","745.33","0.09","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","beta-Nitrostyrene","β-Nitrostyrene","","- C8 H7 N O2 -","- C8 H7 N O2 -","- C32 H28 N4 O8 -","4","1","","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Crystalline-state conformational change of β-nitrostyrenes and its freezing at low temperature","CrystEngComm","2009","11","4","638","","10.1039/b815869j","","","0.71073","MoKα","","0.0571","0.0459","","","0.1184","0.1286","","","","","","1.02","","","","has coordinates,has disorder","180335","2020-10-21","18:00:00",""
"7200434","8.0185","0.0006","5.6848","0.0004","17.5444","0.0012","90","","112.991","0.001","90","","736.21","0.09","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","beta-Nitrostyrene","β-Nitrostyrene","","- C8 H7 N O2 -","- C8 H7 N O2 -","- C32 H28 N4 O8 -","4","1","","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Crystalline-state conformational change of β-nitrostyrenes and its freezing at low temperature","CrystEngComm","2009","11","4","638","","10.1039/b815869j","","","0.71073","MoKα","","0.049","0.0425","","","0.1174","0.1243","","","","","","1.074","","","","has coordinates,has disorder","180335","2020-10-21","18:00:00",""
"7200435","7.9963","0.0006","5.6699","0.0004","17.4179","0.0013","90","","112.752","0.001","90","","728.25","0.09","90","","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","beta-Nitrostyrene","β-Nitrostyrene","","- C8 H7 N O2 -","- C8 H7 N O2 -","- C32 H28 N4 O8 -","4","1","","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Crystalline-state conformational change of β-nitrostyrenes and its freezing at low temperature","CrystEngComm","2009","11","4","638","","10.1039/b815869j","","","0.71073","MoKα","","0.0424","0.038","","","0.103","0.1066","","","","","","1.075","","","","has coordinates,has disorder","180335","2020-10-21","18:00:00",""
"7200436","10.3129","0.0006","7.4611","0.0005","25.3216","0.0016","90","","90","","90","","1948.4","0.2","300","","300","","","","","","","","","4","P b c a","-P 2ac 2ab","61","4-Dimethylamino-beta-nitrostyrene","4-Dimethylamino-β-nitrostyrene","","- C10 H12 N2 O2 -","- C10 H12 N2 O2 -","- C80 H96 N16 O16 -","8","1","","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Crystalline-state conformational change of β-nitrostyrenes and its freezing at low temperature","CrystEngComm","2009","11","4","638","","10.1039/b815869j","","","0.71073","MoKα","","0.079","0.0505","","","0.1294","0.1556","","","","","","1.046","","","","has coordinates,has disorder","180335","2020-10-21","18:00:00",""
"7200437","10.2801","0.0008","7.411","0.0005","25.2458","0.0019","90","","90","","90","","1923.4","0.2","250","","250","","","","","","","","","4","P b c a","-P 2ac 2ab","61","4-Dimethylamino-beta-nitrostyrene","4-Dimethylamino-β-nitrostyrene","","- C10 H12 N2 O2 -","- C10 H12 N2 O2 -","- C80 H96 N16 O16 -","8","1","","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Crystalline-state conformational change of β-nitrostyrenes and its freezing at low temperature","CrystEngComm","2009","11","4","638","","10.1039/b815869j","","","0.71073","MoKα","","0.0702","0.0535","","","0.1497","0.1697","","","","","","1.031","","","","has coordinates,has disorder","180335","2020-10-21","18:00:00",""
"7200438","10.2466","0.0006","7.3631","0.0004","25.1655","0.0015","90","","90","","90","","1898.65","0.19","200","","200","","","","","","","","","4","P b c a","-P 2ac 2ab","61","4-Dimethylamino-beta-nitrostyrene","4-Dimethylamino-β-nitrostyrene","","- C10 H12 N2 O2 -","- C10 H12 N2 O2 -","- C80 H96 N16 O16 -","8","1","","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Crystalline-state conformational change of β-nitrostyrenes and its freezing at low temperature","CrystEngComm","2009","11","4","638","","10.1039/b815869j","","","0.71073","MoKα","","0.0549","0.0458","","","0.1348","0.1467","","","","","","1.073","","","","has coordinates,has disorder","180335","2020-10-21","18:00:00",""
"7200439","10.2078","0.0006","7.3313","0.0004","25.1387","0.0014","90","","90","","90","","1881.29","0.18","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","4-Dimethylamino-beta-nitrostyrene","4-Dimethylamino-β-nitrostyrene","","- C10 H12 N2 O2 -","- C10 H12 N2 O2 -","- C80 H96 N16 O16 -","8","1","","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Crystalline-state conformational change of β-nitrostyrenes and its freezing at low temperature","CrystEngComm","2009","11","4","638","","10.1039/b815869j","","","0.71073","MoKα","","0.0503","0.0422","","","0.124","0.1339","","","","","","1.057","","","","has coordinates,has disorder","180335","2020-10-21","18:00:00",""
"7200440","10.1607","0.0005","7.296","0.0004","25.1132","0.0013","90","","90","","90","","1861.7","0.17","90","","90","","","","","","","","","4","P b c a","-P 2ac 2ab","61","4-Dimethylamino-beta-nitrostyrene","4-Dimethylamino-β-nitrostyrene","","- C10 H12 N2 O2 -","- C10 H12 N2 O2 -","- C80 H96 N16 O16 -","8","1","","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Crystalline-state conformational change of β-nitrostyrenes and its freezing at low temperature","CrystEngComm","2009","11","4","638","","10.1039/b815869j","","","0.71073","MoKα","","0.0442","0.0391","","","0.114","0.1197","","","","","","1.059","","","","has coordinates,has disorder","180335","2020-10-21","18:00:00",""
"7200441","5.8529","0.0006","8.6855","0.0008","9.0724","0.0009","103.447","0.002","90.696","0.002","95.572","0.002","446.15","0.08","300","","300","","","","","","","","","4","P -1","-P 1","2","4-Methoxy-beta-nitrostyrene","4-Methoxy-β-nitrostyrene","","- C9 H9 N O3 -","- C9 H9 N O3 -","- C18 H18 N2 O6 -","2","1","","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Crystalline-state conformational change of β-nitrostyrenes and its freezing at low temperature","CrystEngComm","2009","11","4","638","","10.1039/b815869j","","","0.71073","MoKα","","0.0861","0.06","","","0.1898","0.2189","","","","","","1.063","","","","has coordinates,has disorder","180335","2020-10-21","18:00:00",""
"7200442","5.7014","0.0003","8.4321","0.0005","9.1812","0.0005","103.481","0.001","90.271","0.001","97.265","0.001","425.51","0.04","90","","90","","","","","","","","","4","P -1","-P 1","2","4-Methoxy-beta-nitrostyrene","4-Methoxy-β-nitrostyrene","","- C9 H9 N O3 -","- C9 H9 N O3 -","- C18 H18 N2 O6 -","2","1","","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Crystalline-state conformational change of β-nitrostyrenes and its freezing at low temperature","CrystEngComm","2009","11","4","638","","10.1039/b815869j","","","0.71073","MoKα","","0.0399","0.0366","","","0.1093","0.1142","","","","","","1.046","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200443","22.062","0.0004","11.0025","0.0004","13.1831","0.0008","90","","91.7568","0.001","90","","3198.5","0.2","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H31 Cu2 N3 O14 -","- C29 H31 Cu2 N3 O14 -","- C116 H124 Cu8 N12 O56 -","4","0.5","","Koner, Rajesh; Goldberg, Israel","Supramolecular reactivity of naphthalene-1,4,5,8-tetracarboxylic acid towards transition metal ions: coordination polymers and discrete complexes with CuII, NiII and CoII","CrystEngComm","2009","11","2","367","","10.1039/b815885a","","","0.71073","MoKα","","0.0751","0.0554","","","0.1507","0.164","","","","","","1.128","","","","has coordinates,has disorder","180335","2020-10-21","18:00:00",""
"7200444","9.0654","0.0002","10.6309","0.0003","11.5309","0.0002","92.4596","0.0012","110.251","0.0016","100.35","0.0009","1018.94","0.04","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H26 Co N O14 -","- C12 H26 Co N O14 -","- C24 H52 Co2 N2 O28 -","2","1","","Koner, Rajesh; Goldberg, Israel","Supramolecular reactivity of naphthalene-1,4,5,8-tetracarboxylic acid towards transition metal ions: coordination polymers and discrete complexes with CuII, NiII and CoII","CrystEngComm","2009","11","2","367","","10.1039/b815885a","","","0.71073","MoKα","","0.0534","0.0399","","","0.0977","0.1071","","","","","","1.047","","","","has coordinates,has disorder","180335","2020-10-21","18:00:00",""
"7200445","7.1365","0.0002","8.1576","0.0002","11.0316","0.0003","71.34","0.0012","75.4362","0.0009","78.585","0.0011","584.06","0.03","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H28 Co Na2 O20 -","- C14 H28 Co Na2 O20 -","- C14 H28 Co Na2 O20 -","1","0.5","","Koner, Rajesh; Goldberg, Israel","Supramolecular reactivity of naphthalene-1,4,5,8-tetracarboxylic acid towards transition metal ions: coordination polymers and discrete complexes with CuII, NiII and CoII","CrystEngComm","2009","11","2","367","","10.1039/b815885a","","","0.71073","MoKα","","0.0543","0.0405","","","0.0942","0.1026","","","","","","1.068","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200446","10.1872","0.0002","11.3944","0.0003","13.2253","0.0004","110.711","0.0009","107.192","0.0012","100.411","0.0013","1300.02","0.06","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C19.5 H30.5 N2.5 Ni O12 -","- C19.5 H30.5 N2.5 Ni O12 -","- C39 H61 N5 Ni2 O24 -","2","1","","Koner, Rajesh; Goldberg, Israel","Supramolecular reactivity of naphthalene-1,4,5,8-tetracarboxylic acid towards transition metal ions: coordination polymers and discrete complexes with CuII, NiII and CoII","CrystEngComm","2009","11","2","367","","10.1039/b815885a","","","0.71073","MoKα","","0.0654","0.0562","","","0.1362","0.1403","","","","","","1.172","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7200447","7.3367","0.0002","8.0935","0.0002","10.9671","0.0004","68.7292","0.001","75.1539","0.001","70.66","0.002","565.71","0.03","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H12 Cu O9 -","- C7 H12 Cu O9 -","- C14 H24 Cu2 O18 -","2","1","","Koner, Rajesh; Goldberg, Israel","Supramolecular reactivity of naphthalene-1,4,5,8-tetracarboxylic acid towards transition metal ions: coordination polymers and discrete complexes with CuII, NiII and CoII","CrystEngComm","2009","11","2","367","","10.1039/b815885a","","","0.71073","MoKα","","0.0667","0.0508","","","0.1289","0.1386","","","","","","1.068","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200448","7.7137","0.0002","9.4183","0.0003","11.424","0.0004","113.8","0.0017","92.2836","0.0016","107.734","0.002","710.56","0.04","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H36 Ni2 O25 -","- C14 H36 Ni2 O25 -","- C14 H36 Ni2 O25 -","1","0.5","","Koner, Rajesh; Goldberg, Israel","Supramolecular reactivity of naphthalene-1,4,5,8-tetracarboxylic acid towards transition metal ions: coordination polymers and discrete complexes with CuII, NiII and CoII","CrystEngComm","2009","11","2","367","","10.1039/b815885a","","","0.71073","MoKα","","0.0643","0.0467","","","0.1056","0.1144","","","","","","1.041","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200449","7.4968","0.0001","14.7124","0.0003","11.092","0.0002","90","","91.6835","0.0008","90","","1222.87","0.04","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H14 Ni O10 -","- C7 H14 Ni O10 -","- C28 H56 Ni4 O40 -","4","1","","Koner, Rajesh; Goldberg, Israel","Supramolecular reactivity of naphthalene-1,4,5,8-tetracarboxylic acid towards transition metal ions: coordination polymers and discrete complexes with CuII, NiII and CoII","CrystEngComm","2009","11","2","367","","10.1039/b815885a","","","0.71073","MoKα","","0.0516","0.043","","","0.1132","0.12","","","","","","1.076","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200450","7.3697","0.0002","8.6305","0.0002","9.7369","0.0003","83.6472","0.0009","76.7314","0.001","78.0218","0.0017","588.36","0.03","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H14 Cu O10 -","- C7 H14 Cu O10 -","- C14 H28 Cu2 O20 -","2","1","","Koner, Rajesh; Goldberg, Israel","Supramolecular reactivity of naphthalene-1,4,5,8-tetracarboxylic acid towards transition metal ions: coordination polymers and discrete complexes with CuII, NiII and CoII","CrystEngComm","2009","11","2","367","","10.1039/b815885a","","","0.71073","MoKα","","0.0526","0.048","","","0.1322","0.1367","","","","","","1.084","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200453","10.2688","0.001","11.1859","0.001","18.4444","0.0017","80.255","0.001","83.122","0.001","89.729","0.001","2072.8","0.3","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H38 N4 Ni2 O15 S2 -","- C36 H38 N4 Ni2 O15 S2 -","- C72 H76 N8 Ni4 O30 S4 -","2","1","","Ma, Lu-Fang; Wang, Li-Ya; Hu, Jiang-Liang; Wang, Yao-Yu; Batten, Stuart R.; Wang, Jian-Ge","Dicarboxylate anion-dependent assembly of Ni(II) coordination polymers with 4,4′-dipyridyl sulfide","CrystEngComm","2009","11","5","777","","10.1039/b815916e","","","0.71073","MoKα","","0.0466","0.0371","","","0.0969","0.1036","","","","","","1.028","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200454","14.3584","0.0014","8.2781","0.0008","15.8981","0.0015","90","","93.735","0.001","90","","1885.6","0.3","291","2","291","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C36 H26 N6 Ni2 O14 S2 -","- C36 H26 N6 Ni2 O14 S2 -","- C72 H52 N12 Ni4 O28 S4 -","2","0.5","","Ma, Lu-Fang; Wang, Li-Ya; Hu, Jiang-Liang; Wang, Yao-Yu; Batten, Stuart R.; Wang, Jian-Ge","Dicarboxylate anion-dependent assembly of Ni(II) coordination polymers with 4,4′-dipyridyl sulfide","CrystEngComm","2009","11","5","777","","10.1039/b815916e","","","0.71073","MoKα","","0.0303","0.0268","","","0.0879","0.0942","","","","","","0.735","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200455","10.117","0.004","19.692","0.008","15.346","0.006","90","","106.672","0.004","90","","2929","2","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 N4 Ni O6 S2 -","- C28 H22 N4 Ni O6 S2 -","- C112 H88 N16 Ni4 O24 S8 -","4","1","","Ma, Lu-Fang; Wang, Li-Ya; Hu, Jiang-Liang; Wang, Yao-Yu; Batten, Stuart R.; Wang, Jian-Ge","Dicarboxylate anion-dependent assembly of Ni(II) coordination polymers with 4,4′-dipyridyl sulfide","CrystEngComm","2009","11","5","777","","10.1039/b815916e","","","0.71073","MoKα","","0.035","0.0296","","","0.0714","0.075","","","","","","1.03","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200456","15.3099","0.001","27.9468","0.0018","15.7112","0.001","90","","114.862","0.001","90","","6099.2","0.7","291","2","291","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C44 H42 N4 Ni2 O9 S2 -","- C44 H42 N4 Ni2 O9 S2 -","- C176 H168 N16 Ni8 O36 S8 -","4","1","","Ma, Lu-Fang; Wang, Li-Ya; Hu, Jiang-Liang; Wang, Yao-Yu; Batten, Stuart R.; Wang, Jian-Ge","Dicarboxylate anion-dependent assembly of Ni(II) coordination polymers with 4,4′-dipyridyl sulfide","CrystEngComm","2009","11","5","777","","10.1039/b815916e","","","0.71073","MoKα","","0.0591","0.0543","","","0.1458","0.1506","","","","","","1.067","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7200457","5.0491","0.0007","13.389","0.0016","8.584","0.0011","90","","97.249","0.004","90","","575.66","0.13","123","1","123","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","NH4cdm","Ammonium carbamoyldicyanomethanide","","- C4 H6 N4 O -","- C4 H6 N4 O -","- C16 H24 N16 O4 -","4","1","","Turner, David R.; MacDonald, Rose; Teng Lee, Wan; Batten, Stuart R.","Ammonium salts of carbamoyldicyanomethanide, C(CN)2(CONH2)−: Effects of hydrogen-bonding cations on anionic networks","CrystEngComm","2009","11","2","298","","10.1039/b815926b","","","0.71073","MoKα","","0.062","0.041","","","0.0964","0.1071","","","","","","1.084","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200458","5.8451","0.0003","12.8144","0.0006","9.5395","0.0005","90","","103.573","0.004","90","","694.57","0.06","123","1","123","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","MeH3cdm","Methylammonium carbamoyldicyanomethanide","","- C5 H8 N4 O -","- C5 H8 N4 O -","- C20 H32 N16 O4 -","4","1","","Turner, David R.; MacDonald, Rose; Teng Lee, Wan; Batten, Stuart R.","Ammonium salts of carbamoyldicyanomethanide, C(CN)2(CONH2)−: Effects of hydrogen-bonding cations on anionic networks","CrystEngComm","2009","11","2","298","","10.1039/b815926b","","","0.71073","MoKα","","0.0695","0.0554","","","0.1185","0.1279","","","","","","1.137","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200459","7.188","0.0018","8.2151","0.0021","8.5656","0.0023","71.608","0.008","65.906","0.008","75.772","0.008","434.1","0.2","123","1","123","1","","","","","","","","4","P -1","-P 1","2","[Me2H2N](cdm)","dimethylammonium carbamoyldicyanomethanide","","- C6 H10 N4 O -","- C6 H10 N4 O -","- C12 H20 N8 O2 -","2","1","","Turner, David R.; MacDonald, Rose; Teng Lee, Wan; Batten, Stuart R.","Ammonium salts of carbamoyldicyanomethanide, C(CN)2(CONH2)−: Effects of hydrogen-bonding cations on anionic networks","CrystEngComm","2009","11","2","298","","10.1039/b815926b","","","0.71073","MoKα","","0.0817","0.071","","","0.1602","0.1662","","","","","","1.174","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200460","19.6961","0.0012","7.0629","0.0004","16.3887","0.0009","90","","125.203","0.003","90","","1862.9","0.2","123","1","123","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","[Me3HN](cdm)","trimethylammonium carbamoyldicyanomethanide","","- C7 H12 N4 O -","- C7 H12 N4 O -","- C56 H96 N32 O8 -","8","1","","Turner, David R.; MacDonald, Rose; Teng Lee, Wan; Batten, Stuart R.","Ammonium salts of carbamoyldicyanomethanide, C(CN)2(CONH2)−: Effects of hydrogen-bonding cations on anionic networks","CrystEngComm","2009","11","2","298","","10.1039/b815926b","","","0.71073","MoKα","","0.0574","0.0496","","","0.1034","0.1087","","","","","","1.128","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200461","8.9167","0.0003","8.8432","0.0003","13.5613","0.0005","90","","94.897","0.002","90","","1065.43","0.06","123","1","123","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Me4Ncdm","Tetramethylammonium carbamoyldicyanomethanide","","- C8 H14 N4 O -","- C8 H14 N4 O -","- C32 H56 N16 O4 -","4","1","","Turner, David R.; MacDonald, Rose; Teng Lee, Wan; Batten, Stuart R.","Ammonium salts of carbamoyldicyanomethanide, C(CN)2(CONH2)−: Effects of hydrogen-bonding cations on anionic networks","CrystEngComm","2009","11","2","298","","10.1039/b815926b","","","0.71073","MoKα","","0.049","0.0405","","","0.0933","0.0978","","","","","","1.03","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200462","19.1746","0.0018","9.5707","0.0008","13.9859","0.0018","90","","93.109","0.004","90","","2562.8","0.5","123","1","123","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Triethylmethylammonium carbamoyldicyanomethanide","Triethylmethylammonium carbamoyldicyanomethanide","","- C11 H20 N4 O -","- C11 H20 N4 O -","- C88 H160 N32 O8 -","8","2","","Turner, David R.; MacDonald, Rose; Teng Lee, Wan; Batten, Stuart R.","Ammonium salts of carbamoyldicyanomethanide, C(CN)2(CONH2)−: Effects of hydrogen-bonding cations on anionic networks","CrystEngComm","2009","11","2","298","","10.1039/b815926b","","","0.71073","MoKα","","0.1346","0.1091","","","0.2274","0.2425","","","","","","1.207","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200463","9.4203","0.0019","17.1223","0.0036","9.8809","0.0023","90","","116.939","0.007","90","","1420.8","0.5","123","1","123","1","","","","","","","","4","P 1 21 1","P 2yb","4","BzMe3N(cdm)","Benzyltrimethylammonium Carbamoyldicyanomethanide","","- C14 H18 N4 O -","- C14 H18 N4 O -","- C56 H72 N16 O4 -","4","2","","Turner, David R.; MacDonald, Rose; Teng Lee, Wan; Batten, Stuart R.","Ammonium salts of carbamoyldicyanomethanide, C(CN)2(CONH2)−: Effects of hydrogen-bonding cations on anionic networks","CrystEngComm","2009","11","2","298","","10.1039/b815926b","","","0.71073","MoKα","","0.0614","0.0549","","","0.1225","0.1295","","","","","","1.075","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200464","12.3447","0.0003","4.5957","0.0001","11.4845","0.0003","90","","95.416","0.002","90","","648.64","0.03","296","2","296","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C16 H13 N3 O -","- C16 H13 N3 O -","- C32 H26 N6 O2 -","2","1","","Kalita, Dipjyoti; Sarma, Rupam; Baruah, Jubaraj B.","Formation of symmetry non-equivalent molecules in urea and carbamate derivatives: the role of anion","CrystEngComm","2009","11","5","803","","10.1039/b815962a","","","0.71073","MoKα","","0.0272","0.026","","","0.0639","0.0646","","","","","","1.029","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200465","19.584","0.005","8.062","0.0019","20.523","0.005","90","","90","","90","","3240.3","1.4","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H14 Cl N3 O5 -","- C16 H14 Cl N3 O5 -","- C128 H112 Cl8 N24 O40 -","8","2","","Kalita, Dipjyoti; Sarma, Rupam; Baruah, Jubaraj B.","Formation of symmetry non-equivalent molecules in urea and carbamate derivatives: the role of anion","CrystEngComm","2009","11","5","803","","10.1039/b815962a","","","0.71073","MoKα","","0.1926","0.0785","","","0.1532","0.1806","","","","","","1.24","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200466","19.5575","0.0015","8.7354","0.0007","17.3377","0.0018","90","","113.379","0.005","90","","2718.8","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N3 O -","- C16 H13 N3 O -","- C128 H104 N24 O8 -","8","2","","Kalita, Dipjyoti; Sarma, Rupam; Baruah, Jubaraj B.","Formation of symmetry non-equivalent molecules in urea and carbamate derivatives: the role of anion","CrystEngComm","2009","11","5","803","","10.1039/b815962a","","","0.71073","MoKα","","0.172","0.0635","","","0.1124","0.1493","","","","","","1.017","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200467","17.719","0.003","15.831","0.003","18.506","0.003","90","","106.694","0.009","90","","4972.3","1.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C96 H92 Cl6 N18 O33 -","- C96 H88 Cl6 N18 O33 -","- C192 H176 Cl12 N36 O66 -","2","0.5","","Kalita, Dipjyoti; Sarma, Rupam; Baruah, Jubaraj B.","Formation of symmetry non-equivalent molecules in urea and carbamate derivatives: the role of anion","CrystEngComm","2009","11","5","803","","10.1039/b815962a","","","0.71073","MoKα","","0.1658","0.0646","","","0.1703","0.2215","","","","","","0.946","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200468","9.8403","0.0008","10.5515","0.0011","13.0173","0.0011","90","","90","","90","","1351.6","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H12 N2 O2 -","- C16 H12 N2 O2 -","- C64 H48 N8 O8 -","4","1","","Kalita, Dipjyoti; Sarma, Rupam; Baruah, Jubaraj B.","Formation of symmetry non-equivalent molecules in urea and carbamate derivatives: the role of anion","CrystEngComm","2009","11","5","803","","10.1039/b815962a","","","0.71073","MoKα","","0.1121","0.0657","","","0.1478","0.183","","","","","","1.037","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200469","7.428","0.002","13.936","0.004","17.274","0.005","108.989","0.005","93.671","0.005","97.095","0.005","1667.5","0.8","296","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 Cl2 N4 O13 -","- C32 H28 Cl2 N4 O13 -","- C64 H56 Cl4 N8 O26 -","2","1","","Kalita, Dipjyoti; Sarma, Rupam; Baruah, Jubaraj B.","Formation of symmetry non-equivalent molecules in urea and carbamate derivatives: the role of anion","CrystEngComm","2009","11","5","803","","10.1039/b815962a","","","0.71073","MoKα","","0.2752","0.0949","","","0.1407","0.1671","","","","","","1.331","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200470","23.922","0.002","23.154","0.002","28.13","0.003","90","","100.444","0.002","90","","15323","2","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C124 H152 Mn4 N8 O28 S8 -","- C112 H112 Mn4 N4 O24 S8 -","- C448 H448 Mn16 N16 O96 S32 -","4","1","","Dai, Fangna; He, Haiyan; Xie, Aiping; Chu, Guodong; Sun, Daofeng; Ke, Yanxiong","Self-assembly of a novel metal‒organic coordination cage (MOCC) based on a new flexible dicarboxylate ligand: synthesis, crystal structure and magnetic property","CrystEngComm","2009","11","1","47","","10.1039/b816015p","","","0.71073","MoKα","","0.1295","0.0701","","","0.1866","0.2103","","","","","","0.85","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200471","9.7297","0.0002","10.5937","0.0002","24.9904","0.0003","87.271","0.001","80.123","0.001","86.955","0.001","2532.15","0.08","296","","296","","","","","","","","","5","P -1","-P 1","2","","Hexamelaminium-nitrato-tetraoxalatoytterbate(III)-triaqua","","- C26 H49.3 N37 O22.65 Yb -","- C26 H46 N37 O22.65 Yb -","- C52 H92 N74 O45.3 Yb2 -","2","1","","Baisch, Ulrich; Braga, Dario","[Yb(C2O4)4]5−‒ a versatile metal‒organic building block for layered coordination polymers","CrystEngComm","2009","11","1","40","","10.1039/b816022h","","","0.7107","MoKα","","0.0722","0.0475","","","0.1456","0.1494","","","","","","1.307","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200472","4.8414","0.0003","32.557","0.003","5.7845","0.0009","90","","96.016","0.007","90","","906.74","0.17","293","","293","","","","","","","","hydrothermal synthesis","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H7 Cu O6 P -","- C7 H7 Cu O6 P -","- C28 H28 Cu4 O24 P4 -","4","1","","Rueff, Jean-Michel; Caignaert, Vincent; Leclaire, André; Simon, Charles; Haelters, Jean-Pierre; Jaffrès, Paul-Alain","m-phosphonobenzoic acid and copper(II) as precursors of helical chain and lamellar hybrid materials","CrystEngComm","2009","11","4","556","559","10.1039/b816132c","","","0.71069","MoKα","","0.0463","0.0289","","","0.0295","0.0308","","","","1.81","1.81","1.64","","","","has coordinates","218463","2020-10-21","18:00:00",""
"7200473","14.656","0.003","14.656","0.003","16.905","0.002","90","","90","","120","","3144.7","1","293","","293","","","","","","","","hydrothermal synthesis","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C28 H30 Cu6 O27 P4 -","- C28 H32 Cu6 O28 P4 -","- C84 H96 Cu18 O84 P12 -","3","0.25","","Rueff, Jean-Michel; Caignaert, Vincent; Leclaire, André; Simon, Charles; Haelters, Jean-Pierre; Jaffrès, Paul-Alain","m-phosphonobenzoic acid and copper(II) as precursors of helical chain and lamellar hybrid materials","CrystEngComm","2009","11","4","556","559","10.1039/b816132c","","","0.71069","MoKα","","0.0972","0.0484","","","0.0493","0.0528","","","","1.89","1.89","1.56","","","","has coordinates","218463","2020-10-21","18:00:00",""
"7200474","7.6207","0.001","20.686","0.003","11.6092","0.0016","90","","97.296","0.002","90","","1815.3","0.4","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H34 Cu4 N2 O28 -","- C24 H29 Cu4 N2 O29 -","- C48 H58 Cu8 N4 O58 -","2","1","","Liu, Ming-Li; Shi, Wei; Song, Hai-Bin; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Open and closed copper chain coordination polymers with alternating ferromagnetic and antiferromagnetic interactions","CrystEngComm","2009","11","1","102","","10.1039/b816161p","","","0.71073","MoKα","","0.0309","0.0279","","","0.0644","0.0657","","","","","","1.015","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200475","8.903","0.005","23.565","0.014","8.164","0.005","90","","111.178","0.009","90","","1597.1","1.6","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H26 Cu3 N2 O23 -","- C25 H26 Cu3 N2 O23 -","- C50 H52 Cu6 N4 O46 -","2","0.5","","Liu, Ming-Li; Shi, Wei; Song, Hai-Bin; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Open and closed copper chain coordination polymers with alternating ferromagnetic and antiferromagnetic interactions","CrystEngComm","2009","11","1","102","","10.1039/b816161p","","","0.71073","MoKα","","0.0456","0.0372","","","0.1159","0.1212","","","","","","1.09","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200476","12.664","0.004","8.986","0.003","14.687","0.005","90","","114.762","0.005","90","","1517.7","0.9","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 N4 O2 -","- C18 H14 N4 O2 -","- C72 H56 N16 O8 -","4","1","","Adarsh, N. N.; Kumar, D. Krishna; Dastidar, Parthasarathi","Metal‒organic frameworks derived from bis-pyridyl-bis-amide ligands: Effect of positional isomerism of the ligands, hydrogen bonding backbone, counter anions on the supramolecular structures and selective crystallization of the sulfate anion","CrystEngComm","2009","11","5","796","802","10.1039/b816221b","","","0.71073","MoKα","","0.0539","0.043","","","0.1077","0.1144","","","","","","1.073","","","","has coordinates","218466","2020-10-21","18:00:00",""
"7200477","14.4804","0.0007","14.4804","0.0007","18.9354","0.0018","90","","90","","120","","3438.5","0.4","298","2","298","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C36 H28 Cl2 Co N8 O4 -","- C36 H28 Cl2 Co N8 O4 -","- C108 H84 Cl6 Co3 N24 O12 -","3","0.5","","Adarsh, N. N.; Kumar, D. Krishna; Dastidar, Parthasarathi","Metal‒organic frameworks derived from bis-pyridyl-bis-amide ligands: Effect of positional isomerism of the ligands, hydrogen bonding backbone, counter anions on the supramolecular structures and selective crystallization of the sulfate anion","CrystEngComm","2009","11","5","796","802","10.1039/b816221b","","","0.71073","MoKα","","0.1187","0.0585","","","0.1375","0.1532","","","","","","0.862","","","","has coordinates","218466","2020-10-21","18:00:00",""
"7200478","9.131","0.004","11.139","0.004","20.248","0.007","89.912","0.007","85.131","0.009","70.814","0.007","1937.3","1.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H28 Cd N10 O10 -","- C36 H28 Cd N10 O9.98 -","- C72 H56 Cd2 N20 O19.96 -","2","1","","Adarsh, N. N.; Kumar, D. Krishna; Dastidar, Parthasarathi","Metal‒organic frameworks derived from bis-pyridyl-bis-amide ligands: Effect of positional isomerism of the ligands, hydrogen bonding backbone, counter anions on the supramolecular structures and selective crystallization of the sulfate anion","CrystEngComm","2009","11","5","796","802","10.1039/b816221b","","","0.71073","MoKα","","0.1438","0.0768","","","0.1659","0.1956","","","","","","0.927","","","","has coordinates","218466","2020-10-21","18:00:00",""
"7200479","9.9398","0.0008","16.813","0.0013","14.9567","0.0012","90","","95.146","0.001","90","","2489.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H28 Co N4 O13 S -","- C18 H28 Co N4 O13 S -","- C72 H112 Co4 N16 O52 S4 -","4","1","","Adarsh, N. N.; Kumar, D. Krishna; Dastidar, Parthasarathi","Metal‒organic frameworks derived from bis-pyridyl-bis-amide ligands: Effect of positional isomerism of the ligands, hydrogen bonding backbone, counter anions on the supramolecular structures and selective crystallization of the sulfate anion","CrystEngComm","2009","11","5","796","802","10.1039/b816221b","","","0.71073","MoKα","","0.0644","0.0553","","","0.1272","0.1317","","","","","","1.175","","","","has coordinates","218466","2020-10-21","18:00:00",""
"7200481","20.008","0.002","53.655","0.006","8.9809","0.001","90","","90","","90","","9641.3","1.8","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C48 H46 Cd2 N8 O11 -","- C48 H44 Cd2 N8 O11 -","- C384 H352 Cd16 N64 O88 -","8","0.5","","Yang, Jin; Ma, Jian-Fang; Liu, Ying-Ying; Batten, Stuart R.","Four-, and six-connected entangled frameworks based on flexible bis(imidazole) ligands and long dicarboxylate anions","CrystEngComm","2009","11","1","151","159","10.1039/b816356c","","","0.71073","MoKα","","0.0818","0.0471","","","0.0853","0.0959","","","","","","0.898","","","","has coordinates","218469","2020-10-21","18:00:00",""
"7200482","8.8554","0.0011","19.877","0.002","26.017","0.003","90","","97.727","0.002","90","","4537.9","0.9","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C48 H46 N8 Ni2 O11 -","- C48 H46 N8 Ni2 O11 -","- C192 H184 N32 Ni8 O44 -","4","1","","Yang, Jin; Ma, Jian-Fang; Liu, Ying-Ying; Batten, Stuart R.","Four-, and six-connected entangled frameworks based on flexible bis(imidazole) ligands and long dicarboxylate anions","CrystEngComm","2009","11","1","151","159","10.1039/b816356c","","","0.71073","MoKα","","0.0845","0.0543","","","0.0854","0.0947","","","","","","0.878","","","","has coordinates","218469","2020-10-21","18:00:00",""
"7200483","12.999","0.003","6.7152","0.0014","16.547","0.003","90","","95.999","0.004","90","","1436.5","0.5","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C26 H24 Co N4 O5 -","- C26 H22 Co N4 O5 -","- C52 H44 Co2 N8 O10 -","2","0.5","","Yang, Jin; Ma, Jian-Fang; Liu, Ying-Ying; Batten, Stuart R.","Four-, and six-connected entangled frameworks based on flexible bis(imidazole) ligands and long dicarboxylate anions","CrystEngComm","2009","11","1","151","159","10.1039/b816356c","","","0.71073","MoKα","","0.1473","0.095","","","0.2125","0.2474","","","","","","1.033","","","","has coordinates","218469","2020-10-21","18:00:00",""
"7200484","8.6765","0.0009","11.9414","0.0012","24.044","0.002","81.697","0.002","88.455","0.002","84.325","0.002","2452.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C104 H99 Co4 N16 O19 -","- C104 H96 Co4 N16 O19 -","- C104 H96 Co4 N16 O19 -","1","0.5","","Yang, Jin; Ma, Jian-Fang; Liu, Ying-Ying; Batten, Stuart R.","Four-, and six-connected entangled frameworks based on flexible bis(imidazole) ligands and long dicarboxylate anions","CrystEngComm","2009","11","1","151","159","10.1039/b816356c","","","0.71073","MoKα","","0.1053","0.0672","","","0.1296","0.1501","","","","","","1.038","","","","has coordinates","218469","2020-10-21","18:00:00",""
"7200485","14.7584","0.001","14.263","0.0009","12.199","0.0008","90","","90","","90","","2567.9","0.3","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C28 H22 Cd N4 O5 -","- C28 H22 Cd N4 O5 -","- C112 H88 Cd4 N16 O20 -","4","0.5","","Yang, Jin; Ma, Jian-Fang; Liu, Ying-Ying; Batten, Stuart R.","Four-, and six-connected entangled frameworks based on flexible bis(imidazole) ligands and long dicarboxylate anions","CrystEngComm","2009","11","1","151","159","10.1039/b816356c","","","0.71073","MoKα","","0.0248","0.0224","","","0.0561","0.0575","","","","","","1.043","","","","has coordinates","218469","2020-10-21","18:00:00",""
"7200486","28.442","0.003","5.7468","0.0006","24.666","0.003","90","","112.039","0.002","90","","3737.1","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C84 H68 N8 Ni4 O24 -","- C84 H68 N8 Ni4 O24 -","- C168 H136 N16 Ni8 O48 -","2","0.25","","Yang, Jin; Ma, Jian-Fang; Liu, Ying-Ying; Batten, Stuart R.","Four-, and six-connected entangled frameworks based on flexible bis(imidazole) ligands and long dicarboxylate anions","CrystEngComm","2009","11","1","151","159","10.1039/b816356c","","","0.71073","MoKα","","0.0547","0.0414","","","0.09","0.0962","","","","","","1.022","","","","has coordinates","218469","2020-10-21","18:00:00",""
"7200487","10.241","0.0008","25.067","0.0019","17.916","0.0014","90","","102.304","0.014","90","","4493.6","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C98 H108 Cl N5 O16 -","- C99 H107 Cl N4 O16 -","- C198 H214 Cl2 N8 O32 -","2","0.5","","Pescatori, Luca; Arduini, Arturo; Pochini, Andrea; Secchi, Andrea; Massera, Chiara; Ugozzoli, Franco","Self-assembly of heteroditopic calix[4]arene capsules through ion-pair recognition","CrystEngComm","2009","11","2","239","","10.1039/b816490h","","","0.71073","MoKα","","0.1598","0.1049","","","0.3235","0.3624","","","","","","1.01","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200489","6.4341","0.0012","7.3046","0.0014","8.8257","0.0017","85.98","0.004","88.527","0.004","83.187","0.004","410.79","0.14","293","2","293","2","","","","","","","","5","P 1","P 1","1","1-(2,3,4,5,6-pentafluorobenzyl)-3-benzylimidazolium bromide","1-(2,3,4,5,6-pentafluorobenzyl)-3-benzylimidazolium bromide","","- C17 H12 Br F5 N2 -","- C17 H12 Br F5 N2 -","- C17 H12 Br F5 N2 -","1","1","","Serrano-Becerra, J. M.; Hernández-Ortega, S.; Morales-Morales, D.; Valdés-Martínez, J.","Bottom-up design and construction of a non-centrosymmetric network through π‒π stacking interactions","CrystEngComm","2009","11","2","226","228","10.1039/b816630g","","","0.71073","MoKα","","0.0411","0.0363","","","0.0752","0.0765","","","","","","0.911","","","","has coordinates","218392","2020-10-21","18:00:00",""
"7200490","3.799","0.0003","10.4652","0.0009","12.4395","0.001","90","","90.309","0.006","90","","494.55","0.07","273","2","273","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C12 H6 O4 -","- C12 H6 O4 -","- C24 H12 O8 -","2","0.5","","Saravanakumar, Rajendran; Varghese, Babu; Sankararaman, Sethuraman","Hydrogen-bond network in isomeric phenylenedipropynoic acids and their DABCO salts. Water mediated helical hydrogen bond motifs","CrystEngComm","2009","11","2","337","346","10.1039/b816658g","","","0.71073","MoKα","","0.0919","0.0683","","","0.1602","0.1736","","","","","","1.191","","","","has coordinates","218424","2020-10-21","18:00:00",""
"7200491","8.5222","0.0004","9.1871","0.0005","23.073","0.0011","90","","97.067","0.002","90","","1792.76","0.15","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 N2 O6 -","- C18 H22 N2 O6 -","- C72 H88 N8 O24 -","4","1","","Saravanakumar, Rajendran; Varghese, Babu; Sankararaman, Sethuraman","Hydrogen-bond network in isomeric phenylenedipropynoic acids and their DABCO salts. Water mediated helical hydrogen bond motifs","CrystEngComm","2009","11","2","337","346","10.1039/b816658g","","","0.71073","MoKα","","0.0961","0.0765","","","0.2051","0.2269","","","","","","1.113","","","","has coordinates,has disorder","218424","2020-10-21","18:00:00",""
"7200492","56.173","0.005","3.777","0.005","11.66","0.005","90","0.005","96.062","0.005","90","0.005","2460","3","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 O6 -","- C12 H10 O6 -","- C96 H80 O48 -","8","1","","Saravanakumar, Rajendran; Varghese, Babu; Sankararaman, Sethuraman","Hydrogen-bond network in isomeric phenylenedipropynoic acids and their DABCO salts. Water mediated helical hydrogen bond motifs","CrystEngComm","2009","11","2","337","346","10.1039/b816658g","","","0.71073","MoKα","","0.0588","0.047","","","0.1659","0.1783","","","","","","1.174","","","","has coordinates","218424","2020-10-21","18:00:00",""
"7200493","3.7812","0.0003","6.1345","0.0005","13.3677","0.0011","101.929","0.005","93.522","0.005","93.507","0.005","301.94","0.04","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H10 O6 -","- C12 H10 O6 -","- C12 H10 O6 -","1","0.5","","Saravanakumar, Rajendran; Varghese, Babu; Sankararaman, Sethuraman","Hydrogen-bond network in isomeric phenylenedipropynoic acids and their DABCO salts. Water mediated helical hydrogen bond motifs","CrystEngComm","2009","11","2","337","346","10.1039/b816658g","","","0.71073","MoKα","","0.0497","0.0422","","","0.1188","0.1298","","","","","","1.089","","","","has coordinates","218424","2020-10-21","18:00:00",""
"7200494","9.523","0.0018","17.603","0.005","9.8656","0.0017","90","0.018","103.425","0.013","90","0.019","1608.6","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N2 O4 -","- C18 H18 N2 O4 -","- C72 H72 N8 O16 -","4","1","","Saravanakumar, Rajendran; Varghese, Babu; Sankararaman, Sethuraman","Hydrogen-bond network in isomeric phenylenedipropynoic acids and their DABCO salts. Water mediated helical hydrogen bond motifs","CrystEngComm","2009","11","2","337","346","10.1039/b816658g","","","1.5418","CuKα","","0.0866","0.063","","","0.2672","0.2783","","","","","","1.095","","","","has coordinates","218424","2020-10-21","18:00:00",""
"7200495","8.4405","0.0006","11.4677","0.0008","11.7069","0.0008","108.704","0.001","95","0.001","95.813","0.001","1059.14","0.13","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H14 Cl2 Cu2 N2 O7 S2 -","- C14 H14 Cl2 Cu2 N2 O7 S2 -","- C28 H28 Cl4 Cu4 N4 O14 S4 -","2","1","","Carballo, Rosa; Covelo, Berta; Fernández-Hermida, Nuria; Lago, Ana B.; Vázquez-López, Ezequiel M.","From copper(II) carboxylate to copper(II) 4-pyridylsulfonate coordination polymers as a consequence of the copper(II)-assisted oxidative cleavage of the 4,4'-dipyridyldisulfide ligand","CrystEngComm","2009","11","5","817","826","10.1039/b816721d","","","0.71073","MoKα","","0.0516","0.0416","","","0.1074","0.112","","","","","","1.046","","","","has coordinates","218472","2020-10-21","18:00:00",""
"7200496","18.9365","0.0013","10.7022","0.0007","20.3222","0.0014","90","","114.901","0.001","90","","3735.7","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H32 Cu N6 O10 S6 -","- C30 H32 Cu N6 O10 S6 -","- C120 H128 Cu4 N24 O40 S24 -","4","0.5","","Carballo, Rosa; Covelo, Berta; Fernández-Hermida, Nuria; Lago, Ana B.; Vázquez-López, Ezequiel M.","From copper(II) carboxylate to copper(II) 4-pyridylsulfonate coordination polymers as a consequence of the copper(II)-assisted oxidative cleavage of the 4,4'-dipyridyldisulfide ligand","CrystEngComm","2009","11","5","817","826","10.1039/b816721d","","","0.71073","MoKα","","0.0715","0.0361","","","0.0635","0.0697","","","","","","0.883","","","","has coordinates","218472","2020-10-21","18:00:00",""
"7200497","20.144","0.002","16.6614","0.0017","10.5603","0.0011","90","","90","","90","","3544.3","0.6","293","2","293","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C30 H28 Cu N6 O8 S6 -","- C30 H24 Cu N6 O8 S6 -","- C120 H96 Cu4 N24 O32 S24 -","4","","","Carballo, Rosa; Covelo, Berta; Fernández-Hermida, Nuria; Lago, Ana B.; Vázquez-López, Ezequiel M.","From copper(II) carboxylate to copper(II) 4-pyridylsulfonate coordination polymers as a consequence of the copper(II)-assisted oxidative cleavage of the 4,4'-dipyridyldisulfide ligand","CrystEngComm","2009","11","5","817","826","10.1039/b816721d","","","0.71073","MoKα","","0.1314","0.0497","","","0.0665","0.0794","","","","","","0.774","","","","has coordinates","218472","2020-10-21","18:00:00",""
"7200498","7.6637","0.0014","7.8319","0.0014","10.2543","0.0018","71.048","0.003","83.663","0.003","77.074","0.003","566.89","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H24 Cu N2 O10 S4 -","- C14 H24 Cu N2 O10 S4 -","- C14 H24 Cu N2 O10 S4 -","1","0.5","","Carballo, Rosa; Covelo, Berta; Fernández-Hermida, Nuria; Lago, Ana B.; Vázquez-López, Ezequiel M.","From copper(II) carboxylate to copper(II) 4-pyridylsulfonate coordination polymers as a consequence of the copper(II)-assisted oxidative cleavage of the 4,4'-dipyridyldisulfide ligand","CrystEngComm","2009","11","5","817","826","10.1039/b816721d","","","0.71073","MoKα","","0.0541","0.0375","","","0.0871","0.0951","","","","","","1.073","","","","has coordinates","218472","2020-10-21","18:00:00",""
"7200500","6.8018","0.0001","10.1299","0.0003","16.5594","0.0004","90","","95.4264","0.0017","90","","1135.86","0.05","150","1","150","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 N5 -","- C12 H8 N5 -","- C48 H32 N20 -","4","1","","Piccoli, Paula M. B.; Schultz, Arthur J.; Sparkes, Hazel A.; Howard, Judith A. K.; Arif, Atta M.; Dawe, Louise N.; Miller, Joel S.","[MeNC5H5]2[TCNE]2 (TCNE = tetracyanoethylene). Single crystal X-ray and neutron diffraction characterization of an exceptionally long 2.8 Å C‒C bond","CrystEngComm","2009","11","4","686","","10.1039/b816817b","","","0.71073","MoKα","","0.0441","0.0343","","","0.0815","0.0872","","","","","","1.026","","","","has coordinates,has disorder","180336","2020-10-21","18:00:00",""
"7200501","6.731","0.001","9.996","0.002","16.489","0.004","90","","95.235","0.019","90","","1104.8","0.4","50","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 N5 -","- C12 H8 N5 -","- C48 H32 N20 -","4","1","","Piccoli, Paula M. B.; Schultz, Arthur J.; Sparkes, Hazel A.; Howard, Judith A. K.; Arif, Atta M.; Dawe, Louise N.; Miller, Joel S.","[MeNC5H5]2[TCNE]2 (TCNE = tetracyanoethylene). Single crystal X-ray and neutron diffraction characterization of an exceptionally long 2.8 Å C‒C bond","CrystEngComm","2009","11","4","686","","10.1039/b816817b","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200502","6.7484","0.0002","10.0584","0.0003","16.5583","0.0005","90","","95.276","0.001","90","","1119.18","0.06","50","2","50","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 N5 -","- C12 H8 N5 -","- C48 H32 N20 -","4","1","","Piccoli, Paula M. B.; Schultz, Arthur J.; Sparkes, Hazel A.; Howard, Judith A. K.; Arif, Atta M.; Dawe, Louise N.; Miller, Joel S.","[MeNC5H5]2[TCNE]2 (TCNE = tetracyanoethylene). Single crystal X-ray and neutron diffraction characterization of an exceptionally long 2.8 Å C‒C bond","CrystEngComm","2009","11","4","686","","10.1039/b816817b","","","0.71073","MoKα","","0.046","0.0368","","","0.092","0.0974","","","","","","1.041","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200503","11.016","0.002","25.86","0.005","4.517","0.0009","90","","90","","90","","1286.8","0.4","294","2","113","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","bis(3-pyrazinylcarbonylaminopropyl)amine","","","- C16 H37 N7 O10 -","- C16 H37 N7 O10 -","- C32 H74 N14 O20 -","2","0.5","","Shi, Xue-Fang; Song, Hai-Bin; He, Lei; Zhang, Wen-Qin","Observation of a quasi-one-dimensional water aggregate in a supramolecular organic host","CrystEngComm","2009","11","4","542","","10.1039/b816974h","","","0.71073","MoKα","","0.0602","0.0469","","","0.1105","0.1168","","","","","","1.009","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7200504","26.349","0.004","7.3596","0.0011","8.8067","0.0013","90","","101.072","0.002","90","","1676","0.4","120","2","120","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C20 H8 Br N4 O -","- C20 H8 Br N4 O -","- C80 H32 Br4 N16 O4 -","4","1","","Imai, Yoshitane; Kamon, Kensaku; Kido, Shingo; Harada, Takunori; Tajima, Nobuo; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio","Formation and crystal structure of the chiral charge-transfer complex with axially chiral 1,1'-bis-2-naphthol derivatives and tetracyanobenzene","CrystEngComm","2009","11","4","620","624","10.1039/b817131a","","","0.71073","MoKα","","0.0309","0.0275","","","0.0577","0.0641","","","","","","0.987","","","","has coordinates","218475","2020-10-21","18:00:00",""
"7200505","26.469","0.003","7.274","0.0008","8.7625","0.001","90","","100.479","0.002","90","","1659","0.3","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C21 H11 N4 O -","- C21 H11 N4 O -","- C84 H44 N16 O4 -","4","1","","Imai, Yoshitane; Kamon, Kensaku; Kido, Shingo; Harada, Takunori; Tajima, Nobuo; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio","Formation and crystal structure of the chiral charge-transfer complex with axially chiral 1,1'-bis-2-naphthol derivatives and tetracyanobenzene","CrystEngComm","2009","11","4","620","624","10.1039/b817131a","","","0.71073","MoKα","","0.0619","0.0481","","","0.1068","0.1238","","","","","","1.053","","","","has coordinates","218475","2020-10-21","18:00:00",""
"7200506","8.635","0.001","8.67","0.001","14.688","0.002","89.29","0.01","88.85","0.01","60.12","0.01","953.3","0.2","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C25 H60 Cl3 N7 O14 Zn -","- C25 H56 Cl3 N7 O14 Zn -","- C25 H56 Cl3 N7 O14 Zn -","1","1","","Harrowfield, Jack M.; Koutsantonis, George A.; Nealon, Gareth L.; Skelton, Brian W.; Spackman, Mark A.","Proton switching of polarity in metalloamphiphile crystals","CrystEngComm","2009","11","2","249","253","10.1039/b817145a","","","0.71073","MoKα","","0.0687","0.0431","","","0.0945","0.1011","","","","","","0.884","","","","has coordinates,has disorder","218478","2020-10-21","18:00:00",""
"7200507","15.4878","0.0007","8.8523","0.0005","49.23","0.003","90","","92.832","0.006","90","","6741.3","0.6","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C25 H55.5 Cl2 N7 O8.25 Zn -","- C25 H55 Cl2 N7 O8.247 Zn -","- C200 H440 Cl16 N56 O65.976 Zn8 -","8","1","","Harrowfield, Jack M.; Koutsantonis, George A.; Nealon, Gareth L.; Skelton, Brian W.; Spackman, Mark A.","Proton switching of polarity in metalloamphiphile crystals","CrystEngComm","2009","11","2","249","253","10.1039/b817145a","","","1.54184","CuKα","","0.1503","0.1009","","","0.2935","0.331","","","","","","1.059","","","","has coordinates,has disorder","218478","2020-10-21","18:00:00",""
"7200508","7.176","0.0013","10.5145","0.0018","20.899","0.004","90","","99.3","0.003","90","","1556.1","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Cadmium thiosulfate","","","- C10 H16 Cd N2 O7 S2 -","- C10 H14 Cd N2 O7 S2 -","- C40 H56 Cd4 N8 O28 S8 -","4","1","","Paul, Avijit Kumar; Madras, Giridhar; Natarajan, Srinivasan","The illustrative use of thiosulfate in the formation of new three-dimensional hybrid structures","CrystEngComm","2009","11","1","55","","10.1039/b817150p","","","0.71073","MoKα","","0.0374","0.0323","","","0.0792","0.0823","","","","","","1.109","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200509","12.628","0.002","15.081","0.002","17.362","0.003","90","","107.076","0.003","90","","3160.7","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Cadmium thiosulfate","","","- C15 H12 Cd N3 O3 S2 -","- C15 H12 Cd N3 O3 S2 -","- C120 H96 Cd8 N24 O24 S16 -","8","1","","Paul, Avijit Kumar; Madras, Giridhar; Natarajan, Srinivasan","The illustrative use of thiosulfate in the formation of new three-dimensional hybrid structures","CrystEngComm","2009","11","1","55","","10.1039/b817150p","","","0.71073","MoKα","","0.0433","0.0332","","","0.07","0.0742","","","","","","1.09","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200510","11.0343","0.0017","15.894","0.002","15.823","0.002","90","","91.969","0.003","90","","2773.4","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Cadmium thiosulfate","","","- C25 H20 Cd2 N5 O6 S4 -","- C25 H20 Cd2 N5 O6 S4 -","- C100 H80 Cd8 N20 O24 S16 -","4","1","","Paul, Avijit Kumar; Madras, Giridhar; Natarajan, Srinivasan","The illustrative use of thiosulfate in the formation of new three-dimensional hybrid structures","CrystEngComm","2009","11","1","55","","10.1039/b817150p","","","0.71073","MoKα","","0.0558","0.0372","","","0.0646","0.0705","","","","","","1.099","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200511","8.5157","0.0003","10.8984","0.0003","17.6615","0.0006","90","","90","","90","","1639.12","0.09","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H20 Cu N2 O9 -","- C10 H20 Cu N2 O9 -","- C40 H80 Cu4 N8 O36 -","4","1","","Wu, Shu-Pao; Lee, Chih-Hao","Infinite chiral single-helical structures formed by the self-assembly of Cu(ii)-N-(2-pyridylmethyl)-aspartate complexes","CrystEngComm","2009","11","2","219","","10.1039/b817157m","","","0.71073","MoKα","","0.0728","0.0522","","","0.1227","0.1657","","","","","","1.103","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200512","11.2411","0.0003","16.5043","0.0005","8.4442","0.0003","90","","90","","90","","1566.62","0.08","296","2","296","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C10 H20 Cu N2 O9 -","- C10 H19 Cu N2 O8.5 -","- C40 H76 Cu4 N8 O34 -","4","1","","Wu, Shu-Pao; Lee, Chih-Hao","Infinite chiral single-helical structures formed by the self-assembly of Cu(ii)-N-(2-pyridylmethyl)-aspartate complexes","CrystEngComm","2009","11","2","219","","10.1039/b817157m","","","0.71073","MoKα","","0.0549","0.0361","","","0.0968","0.1494","","","","","","1.078","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200516","20.2664","0.0017","5.8748","0.0005","13.1428","0.0011","90","","90","","90","","1564.8","0.2","291","2","291","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C31 H35 Cu2 N7 O S2 -","- C31 H35 Cu2 N7 O S2 -","- C62 H70 Cu4 N14 O2 S4 -","2","0.25","","Ren, Shi-Bin; Yang, Xiao-Li; Zhang, Jun; Li, Yi-Zhi; Zheng, You-Xuan; Du, Hong-Bin; You, Xiao-Zeng","An infinite photoluminescent coordination nanotube [CuSCN(L)]·(DMF)0.5","CrystEngComm","2009","11","2","246","","10.1039/b817229c","","","0.71073","MoKα","","0.0426","0.0372","","","0.0921","0.094","","","","","","1.089","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200529","10.7482","0.0005","17.4273","0.0008","16.4072","0.0006","90","","120.69","0.002","90","","2642.8","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H28 Co N2 O9 -","- C25 H28 Co N2 O9 -","- C100 H112 Co4 N8 O36 -","4","1","","Karmakar, Anirban; Baruah, Jubaraj B.; Boomi Shankar, R.","Zinc(II) and cobalt(II) complexes of (3-carboxymethoxy-naphthalen-2-yloxy)-acetic acid: a structural study","CrystEngComm","2009","11","5","832","","10.1039/b817416d","","","0.71073","MoKα","","0.0759","0.0464","","","0.1233","0.1364","","","","","","1.056","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200530","10.727","0.002","17.456","0.004","16.435","0.003","90","","120.721","0.012","90","","2645.6","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H28 N2 O9 Zn -","- C25 H25 N2 O9 Zn -","- C100 H100 N8 O36 Zn4 -","4","1","","Karmakar, Anirban; Baruah, Jubaraj B.; Boomi Shankar, R.","Zinc(II) and cobalt(II) complexes of (3-carboxymethoxy-naphthalen-2-yloxy)-acetic acid: a structural study","CrystEngComm","2009","11","5","832","","10.1039/b817416d","","","0.71073","MoKα","","0.0757","0.0583","","","0.1759","0.1889","","","","","","1.051","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200531","16.3719","0.0006","22.7018","0.0006","7.4514","0.0002","90","","94.705","0.002","90","","2760.14","0.15","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H22 Na2 O14 Zn -","- C28 H22 Na2 O14 Zn -","- C112 H88 Na8 O56 Zn4 -","4","0.5","","Karmakar, Anirban; Baruah, Jubaraj B.; Boomi Shankar, R.","Zinc(II) and cobalt(II) complexes of (3-carboxymethoxy-naphthalen-2-yloxy)-acetic acid: a structural study","CrystEngComm","2009","11","5","832","","10.1039/b817416d","","","0.71073","MoKα","","0.0438","0.0328","","","0.0831","0.0891","","","","","","1.028","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200532","10.8004","0.0001","11.7121","0.0002","15.6378","0.0002","102.683","0.001","106.283","0.001","101.937","0.001","1774.72","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H38 N4 O12 Zn -","- C34 H38 N4 O12 Zn -","- C68 H76 N8 O24 Zn2 -","2","1","","Karmakar, Anirban; Baruah, Jubaraj B.; Boomi Shankar, R.","Zinc(II) and cobalt(II) complexes of (3-carboxymethoxy-naphthalen-2-yloxy)-acetic acid: a structural study","CrystEngComm","2009","11","5","832","","10.1039/b817416d","","","0.71073","MoKα","","0.0919","0.057","","","0.1659","0.1915","","","","","","1.025","","","","has coordinates","187625","2020-10-21","18:00:00",""
"7200533","9.3548","0.0003","18.3574","0.0006","18.7369","0.0006","90","","115.724","0.002","90","","2898.8","0.17","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H29 N7 O7 Zn -","- C26 H29 N7 O7 Zn -","- C104 H116 N28 O28 Zn4 -","4","1","","Karmakar, Anirban; Baruah, Jubaraj B.; Boomi Shankar, R.","Zinc(II) and cobalt(II) complexes of (3-carboxymethoxy-naphthalen-2-yloxy)-acetic acid: a structural study","CrystEngComm","2009","11","5","832","","10.1039/b817416d","","","0.71073","MoKα","","0.06","0.0442","","","0.1193","0.1303","","","","","","1.036","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200534","8.6774","0.0007","11.7824","0.0009","12.3236","0.0015","108.07","0.003","94.205","0.003","109.158","0.002","1109.77","0.19","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H42 N4 Na2 O18 Zn2 -","- C40 H40 N4 Na2 O18 Zn2 -","- C40 H40 N4 Na2 O18 Zn2 -","1","0.5","","Karmakar, Anirban; Baruah, Jubaraj B.; Boomi Shankar, R.","Zinc(II) and cobalt(II) complexes of (3-carboxymethoxy-naphthalen-2-yloxy)-acetic acid: a structural study","CrystEngComm","2009","11","5","832","","10.1039/b817416d","","","0.71073","MoKα","","0.0576","0.0397","","","0.1022","0.1117","","","","","","1.038","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200535","11.3948","0.0005","17.2622","0.0007","22.0932","0.0009","98.39","0.002","90.784","0.002","98.487","0.002","4249.4","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H88 N10 O35 Zn4 -","- C74 H76 N10 O35 Zn4 -","- C148 H152 N20 O70 Zn8 -","2","1","","Karmakar, Anirban; Baruah, Jubaraj B.; Boomi Shankar, R.","Zinc(II) and cobalt(II) complexes of (3-carboxymethoxy-naphthalen-2-yloxy)-acetic acid: a structural study","CrystEngComm","2009","11","5","832","","10.1039/b817416d","","","0.71073","MoKα","","0.1093","0.0692","","","0.2142","0.2467","","","","","","1.054","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7200536","11.4686","0.0007","18.0561","0.0011","17.4989","0.001","90","","103.013","0.003","90","","3530.6","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H32 N4 O9 Zn -","- C38 H26 N4 O9 Zn -","- C152 H104 N16 O36 Zn4 -","4","1","","Karmakar, Anirban; Baruah, Jubaraj B.; Boomi Shankar, R.","Zinc(II) and cobalt(II) complexes of (3-carboxymethoxy-naphthalen-2-yloxy)-acetic acid: a structural study","CrystEngComm","2009","11","5","832","","10.1039/b817416d","","","0.71073","MoKα","","0.13","0.0911","","","0.2745","0.3227","","","","","","1.155","","","","has coordinates,has disorder","180336","2020-10-21","18:00:00",""
"7200537","11.983","0.003","12.683","0.003","13.089","0.004","75.057","0.01","89.597","0.011","71.714","0.01","1819","0.9","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H27 Cl N4 O10 Zn -","- C38 H26 Cl N4 O10 Zn -","- C76 H52 Cl2 N8 O20 Zn2 -","2","1","","Karmakar, Anirban; Baruah, Jubaraj B.; Boomi Shankar, R.","Zinc(II) and cobalt(II) complexes of (3-carboxymethoxy-naphthalen-2-yloxy)-acetic acid: a structural study","CrystEngComm","2009","11","5","832","","10.1039/b817416d","","","0.71073","MoKα","","0.1149","0.0863","","","0.28","0.3065","","","","","","1.141","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200538","7.404","0.0015","26.67","0.005","8.218","0.0016","90","","99.2","0.03","90","","1601.9","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 Mn N0 O5 S4 -","- C12 H8 Mn O5 S4 -","- C48 H32 Mn4 O20 S16 -","4","1","","Wang, Sujing; Xiong, Shunshun; Song, Lexin; Wang, Zhiyong","Influence of co-ligands and solvents on the packing and photoluminescence of three related MnII metal‒organic frameworks","CrystEngComm","2009","11","5","896","901","10.1039/b817418k","","","1.5418","CuKα","","0.0346","0.0284","","","0.072","0.0739","","","","","","1.001","","","","has coordinates","218481","2020-10-21","18:00:00",""
"7200539","11.0311","0.0004","11.5197","0.0005","27.033","0.001","90","","100.739","0.004","90","","3375.1","0.2","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C26 H18 Mn2 N2 O11 S6 -","- C26 H18 Mn2 N2 O11 S6 -","- C104 H72 Mn8 N8 O44 S24 -","4","0.5","","Wang, Sujing; Xiong, Shunshun; Song, Lexin; Wang, Zhiyong","Influence of co-ligands and solvents on the packing and photoluminescence of three related MnII metal‒organic frameworks","CrystEngComm","2009","11","5","896","901","10.1039/b817418k","","","1.54184","CuKα","","0.0342","0.0305","","","0.0889","0.0903","","","","","","1.094","","","","has coordinates","218481","2020-10-21","18:00:00",""
"7200540","20.1491","0.0003","7.6548","0.0001","25.6413","0.0005","90","","90","","90","","3954.85","0.11","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H13 Mn N2 O5 S3 -","- C18 H13 Mn N2 O5 S3 -","- C144 H104 Mn8 N16 O40 S24 -","8","1","","Wang, Sujing; Xiong, Shunshun; Song, Lexin; Wang, Zhiyong","Influence of co-ligands and solvents on the packing and photoluminescence of three related MnII metal‒organic frameworks","CrystEngComm","2009","11","5","896","901","10.1039/b817418k","","","1.54184","CuKα","","0.0365","0.0305","","","0.0852","0.0869","","","","","","1.007","","","","has coordinates","218481","2020-10-21","18:00:00",""
"7200541","13.264","0.003","13.611","0.003","14.666","0.003","109.4","0.03","116.56","0.03","98.51","0.03","2091.4","1.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H56 Cu3 N16 O44 P W12 -","- C56 H56 Cu3 N16 O44 P W12 -","- C56 H56 Cu3 N16 O44 P W12 -","1","0.5","","Zhang, Peng-Peng; Peng, Jun; Sha, Jing-Quan; Tian, Ai-Xiang; Pang, Hai-Jun; Chen, Yuan; Zhu, Min","Assembly of two new polyoxometalate-templated supramolecular compounds by utilizing a ligand with a combination of rigidness and flexibility","CrystEngComm","2009","11","5","902","908","10.1039/b817653a","","","0.71073","MoKα","","0.0727","0.0506","","","0.1152","0.1284","","","","","","1.057","","","","has coordinates","218484","2020-10-21","18:00:00",""
"7200542","11.0336","0.0015","12.6711","0.0017","13.1776","0.0018","104.684","0.002","97.188","0.002","100.502","0.002","1723.6","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H42 Cu3 Mo12 N12 O40 P -","- C42 H42 Cu3 Mo12 N12 O40 P -","- C42 H42 Cu3 Mo12 N12 O40 P -","1","0.5","","Zhang, Peng-Peng; Peng, Jun; Sha, Jing-Quan; Tian, Ai-Xiang; Pang, Hai-Jun; Chen, Yuan; Zhu, Min","Assembly of two new polyoxometalate-templated supramolecular compounds by utilizing a ligand with a combination of rigidness and flexibility","CrystEngComm","2009","11","5","902","908","10.1039/b817653a","","","0.71073","MoKα","","0.0768","0.0459","","","0.1125","0.1283","","","","","","1.059","","","","has coordinates","218484","2020-10-21","18:00:00",""
"7200543","16.2898","0.0008","7.7309","0.0004","22.0964","0.0011","90","","104.532","0.002","90","","2693.7","0.2","123","","123","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C60 H68 Cu2 N4 O14 -","- C60 H68 Cu2 N4 O14 -","- C120 H136 Cu4 N8 O28 -","2","1","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia","Hierarchical multicomponent assembly utilizing sequential metal‒ligand and hydrogen-bonding interactions","CrystEngComm","2009","11","4","657","662","10.1039/b817706f","","","0.71073","MoKα","","0.0667","0.03","","0.0558","0.031","0.031","","","","","","1.1162","","","","has coordinates","218487","2020-10-21","18:00:00",""
"7200544","5.5583","0.0002","20.5367","0.0006","10.824","0.0003","90","","103.482","0.001","90","","1201.5","0.07","123","","123","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H33 Cu N3 O5 -","- C26 H33 Cu N3 O5 -","- C52 H66 Cu2 N6 O10 -","2","1","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia","Hierarchical multicomponent assembly utilizing sequential metal‒ligand and hydrogen-bonding interactions","CrystEngComm","2009","11","4","657","662","10.1039/b817706f","","","0.71073","MoKα","","0.0328","0.0227","","0.0273","0.024","0.024","","","","","","1.085","","","","has coordinates","218487","2020-10-21","18:00:00",""
"7200545","8.8855","0.0004","10.8153","0.0004","13.0636","0.0005","97.313","0.002","109.121","0.002","107.198","0.002","1097.61","0.08","123","","123","","","","","","","","","5","P 1","P 1","1","","","","- C24 H30 Cu N2 O5 -","- C24 H30 Cu N2 O5 -","- C48 H60 Cu2 N4 O10 -","2","2","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia","Hierarchical multicomponent assembly utilizing sequential metal‒ligand and hydrogen-bonding interactions","CrystEngComm","2009","11","4","657","662","10.1039/b817706f","","","0.71073","MoKα","","0.0652","0.0311","","0.0561","0.0317","0.0317","","","","","","1.0829","","","","has coordinates","218487","2020-10-21","18:00:00",""
"7200546","7.9957","0.0004","9.7477","0.0006","10.7688","0.0008","63.248","0.004","69.699","0.004","87.997","0.004","695.52","0.08","253","2","253","2","","","","","","","","7","P -1","-P 1","2","","","","- C5 H16 Cd Cl3 N3 O2 S -","- C5 H16 Cd Cl3 N3 O2 S -","- C10 H32 Cd2 Cl6 N6 O4 S2 -","2","1","","Yu, Jie-Hui; Wang, Xu-Mei; Ye, Ling; Hou, Qin; Yang, Qing-Feng; Xu, Ji-Qing","Organically templated chained chlorocadmates and cadmium-chloro thiocyanates","CrystEngComm","2009","11","6","1037","","10.1039/b817781c","","","0.71073","MoKα","","0.0519","0.0389","","","0.098","0.1035","","","","","","0.99","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200547","8.3087","0.0017","13.661","0.003","15.298","0.003","113.89","0.03","96.41","0.03","102.12","0.03","1514.2","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H30 Cd3 Cl8 N6 O S2 -","- C14 H30 Cd3 Cl8 N6 O S2 -","- C28 H60 Cd6 Cl16 N12 O2 S4 -","2","1","","Yu, Jie-Hui; Wang, Xu-Mei; Ye, Ling; Hou, Qin; Yang, Qing-Feng; Xu, Ji-Qing","Organically templated chained chlorocadmates and cadmium-chloro thiocyanates","CrystEngComm","2009","11","6","1037","","10.1039/b817781c","","","0.71073","MoKα","","0.0387","0.0317","","","0.0786","0.0876","","","","","","1.124","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200548","7.5685","0.0015","20.604","0.004","10.448","0.002","90","","104.89","0.03","90","","1574.6","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H16 Cd2 Cl6 N2 O -","- C6 H16 Cd2 Cl6 N2 O -","- C24 H64 Cd8 Cl24 N8 O4 -","4","1","","Yu, Jie-Hui; Wang, Xu-Mei; Ye, Ling; Hou, Qin; Yang, Qing-Feng; Xu, Ji-Qing","Organically templated chained chlorocadmates and cadmium-chloro thiocyanates","CrystEngComm","2009","11","6","1037","","10.1039/b817781c","","","0.71073","MoKα","","0.0215","0.0196","","","0.0483","0.0489","","","","","","1.113","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200549","6.803","0.003","11.084","0.005","10.664","0.005","90","","107.066","0.004","90","","768.7","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H16 Cd2 Cl6 N2 O2 -","- C4 H12 Cd2 Cl6 N2 O2 -","- C8 H24 Cd4 Cl12 N4 O4 -","2","0.5","","Yu, Jie-Hui; Wang, Xu-Mei; Ye, Ling; Hou, Qin; Yang, Qing-Feng; Xu, Ji-Qing","Organically templated chained chlorocadmates and cadmium-chloro thiocyanates","CrystEngComm","2009","11","6","1037","","10.1039/b817781c","","","0.71073","MoKα","","0.0342","0.0292","","","0.0638","0.0655","","","","","","1.067","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200550","10.839","0.002","12.536","0.003","18.91","0.004","90","","90","","90","","2569.4","0.9","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H13 Cl N4 S2 Zn -","- C8 H13 Cl N4 S2 Zn -","- C64 H104 Cl8 N32 S16 Zn8 -","8","1","","Yu, Jie-Hui; Wang, Xu-Mei; Ye, Ling; Hou, Qin; Yang, Qing-Feng; Xu, Ji-Qing","Organically templated chained chlorocadmates and cadmium-chloro thiocyanates","CrystEngComm","2009","11","6","1037","","10.1039/b817781c","","","0.71073","MoKα","","0.0626","0.0512","","","0.1135","0.1186","","","","","","1.144","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200551","8.637","0.0004","20.346","0.002","9.7847","0.0005","90","","90","","90","","1719.4","0.2","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H14 I4 N4 Pb -","- C6 H14 I4 N4 Pb -","- C24 H56 I16 N16 Pb4 -","4","0.5","","Mercier, Nicolas; Louvain, Nicolas; Bi, Wenhua","Structural diversity and retro-crystal engineering analysis of iodometalate hybrids","CrystEngComm","2009","11","5","720","","10.1039/b817891g","","x-ray","0.71073","MoKα","","","0.0332","","","","0.0581","","","","","","1.024","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7200552","15.732","0.004","10.328","0.003","15.061","0.004","90","","116.494","0.004","90","","2190.1","1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 Cl3 In N3 O7 -","- C17 H19 Cl3 In N3 O7 -","- C68 H76 Cl12 In4 N12 O28 -","4","1","","Gao, Qiang; Jiang, Fei-Long; Wu, Ming-Yan; Huang, You-Gui; Yuan, Da-Qiang; Wei, Wei; Hong, Mao-Chun","Indium(iii)-2,5-pyridine dicarboxylate complexes with mononuclear, 1D chain, 2D layer and 3D chiral frameworks","CrystEngComm","2009","11","5","918","","10.1039/b817972g","","","0.71073","MoKα","","0.0329","0.0278","","","0.0603","0.0631","","","","","","1.045","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200553","15.79","0.007","18.403","0.008","18.777","0.007","113.459","0.003","104.03","0.005","97.84","","4687","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C89 H77 In2 N15 O36 -","- C89 H61 In2 N15 O36 -","- C178 H122 In4 N30 O72 -","2","1","","Gao, Qiang; Jiang, Fei-Long; Wu, Ming-Yan; Huang, You-Gui; Yuan, Da-Qiang; Wei, Wei; Hong, Mao-Chun","Indium(iii)-2,5-pyridine dicarboxylate complexes with mononuclear, 1D chain, 2D layer and 3D chiral frameworks","CrystEngComm","2009","11","5","918","","10.1039/b817972g","","","0.71073","MoKα","","0.1459","0.0929","","","0.2251","0.2668","","","","","","1.102","","","","has coordinates,has disorder","180336","2020-10-21","18:00:00",""
"7200554","8.958","0.002","14.948","0.003","30.757","0.008","89.685","0.006","89.532","0.005","78.434","0.005","4034.7","1.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H62 In2 N12 O31 -","- C72 H48 In2 N12 O31 -","- C144 H96 In4 N24 O62 -","2","1","","Gao, Qiang; Jiang, Fei-Long; Wu, Ming-Yan; Huang, You-Gui; Yuan, Da-Qiang; Wei, Wei; Hong, Mao-Chun","Indium(iii)-2,5-pyridine dicarboxylate complexes with mononuclear, 1D chain, 2D layer and 3D chiral frameworks","CrystEngComm","2009","11","5","918","","10.1039/b817972g","","","0.71073","MoKα","","0.1035","0.072","","","0.1969","0.2276","","","","","","1.019","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200555","8.114","0.004","12.648","0.006","16.325","0.006","90","","115.375","0.019","90","","1513.7","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H44 Cl4 In4 N8 O28 -","- C48 H44 Cl4 In4 N8 O28 -","- C48 H44 Cl4 In4 N8 O28 -","1","0.25","","Gao, Qiang; Jiang, Fei-Long; Wu, Ming-Yan; Huang, You-Gui; Yuan, Da-Qiang; Wei, Wei; Hong, Mao-Chun","Indium(iii)-2,5-pyridine dicarboxylate complexes with mononuclear, 1D chain, 2D layer and 3D chiral frameworks","CrystEngComm","2009","11","5","918","","10.1039/b817972g","","","0.71073","MoKα","","0.024","0.0228","","","0.0604","0.0612","","","","","","1.138","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200556","10.8599","0.0005","11.5232","0.0004","11.6934","0.0006","90","","114.691","0.002","90","","1329.54","0.1","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H14 Cl2 In2 N4 O8 -","- C24 H14 Cl2 In2 N4 O8 -","- C48 H28 Cl4 In4 N8 O16 -","2","1","","Gao, Qiang; Jiang, Fei-Long; Wu, Ming-Yan; Huang, You-Gui; Yuan, Da-Qiang; Wei, Wei; Hong, Mao-Chun","Indium(iii)-2,5-pyridine dicarboxylate complexes with mononuclear, 1D chain, 2D layer and 3D chiral frameworks","CrystEngComm","2009","11","5","918","","10.1039/b817972g","","","0.71073","MoKα","","0.0178","0.0173","","","0.0445","0.0447","","","","","","1.072","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200557","7.0901","0.0012","17.798","0.003","11.1041","0.0014","90","","121.728","0.008","90","","1191.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H17.2 Co N10 O2.6 -","- C26 H17.2 Co N10 O2.6 -","- C52 H34.4 Co2 N20 O5.2 -","2","0.5","","Cao, Man-Li; Mo, Hao-Jun; Liang, Jin-Juan; Ye, Bao-Hui","Reversible single-crystal-to-single-crystal transformation driven by adsorption/desorption of water over organic solvents and thermal stimulation","CrystEngComm","2009","11","5","784","","10.1039/b817993j","","","0.71073","MoKα","","0.0461","0.0391","","","0.0963","0.1007","","","","","","1.018","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7200558","6.9626","0.0013","17.913","0.003","11.0206","0.0016","90","","121.714","0.008","90","","1169.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 Co N10 O2 -","- C26 H16 Co N10 O2 -","- C52 H32 Co2 N20 O4 -","2","0.5","","Cao, Man-Li; Mo, Hao-Jun; Liang, Jin-Juan; Ye, Bao-Hui","Reversible single-crystal-to-single-crystal transformation driven by adsorption/desorption of water over organic solvents and thermal stimulation","CrystEngComm","2009","11","5","784","","10.1039/b817993j","","","0.71073","MoKα","","0.0516","0.0437","","","0.1098","0.1158","","","","","","1.005","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200559","7.063","0.006","17.792","0.014","11.089","0.007","90","","121.31","0.04","90","","1190.6","1.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H17.2 Co N10 O2.6 -","- C26 H17.2 Co N10 O2.6 -","- C52 H34.4 Co2 N20 O5.2 -","2","0.5","","Cao, Man-Li; Mo, Hao-Jun; Liang, Jin-Juan; Ye, Bao-Hui","Reversible single-crystal-to-single-crystal transformation driven by adsorption/desorption of water over organic solvents and thermal stimulation","CrystEngComm","2009","11","5","784","","10.1039/b817993j","","","0.71073","MoKα","","0.0453","0.04","","","0.1106","0.1148","","","","","","1.007","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7200560","7.1011","0.0018","17.44","0.004","11.2157","0.0019","90","","120.736","0.011","90","","1193.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H17.2 N10 Ni O2.6 -","- C26 H17.2 N10 Ni O2.6 -","- C52 H34.4 N20 Ni2 O5.2 -","2","0.5","","Cao, Man-Li; Mo, Hao-Jun; Liang, Jin-Juan; Ye, Bao-Hui","Reversible single-crystal-to-single-crystal transformation driven by adsorption/desorption of water over organic solvents and thermal stimulation","CrystEngComm","2009","11","5","784","","10.1039/b817993j","","","0.71073","MoKα","","0.0484","0.041","","","0.1064","0.1118","","","","","","1.015","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7200561","6.976","0.0009","17.636","0.002","11.053","0.001","90","","121.308","0.006","90","","1161.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 N10 Ni O2 -","- C26 H16 N10 Ni O2 -","- C52 H32 N20 Ni2 O4 -","2","0.5","","Cao, Man-Li; Mo, Hao-Jun; Liang, Jin-Juan; Ye, Bao-Hui","Reversible single-crystal-to-single-crystal transformation driven by adsorption/desorption of water over organic solvents and thermal stimulation","CrystEngComm","2009","11","5","784","","10.1039/b817993j","","","0.71073","MoKα","","0.0446","0.0362","","","0.0928","0.0981","","","","","","1.011","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200562","7.0848","0.0009","17.511","0.002","11.1614","0.0011","90","","121.096","0.006","90","","1185.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H17.2 N10 Ni O2.6 -","- C26 H17.2 N10 Ni O2.6 -","- C52 H34.4 N20 Ni2 O5.2 -","2","0.5","","Cao, Man-Li; Mo, Hao-Jun; Liang, Jin-Juan; Ye, Bao-Hui","Reversible single-crystal-to-single-crystal transformation driven by adsorption/desorption of water over organic solvents and thermal stimulation","CrystEngComm","2009","11","5","784","","10.1039/b817993j","","","0.71073","MoKα","","0.0545","0.0455","","","0.1137","0.1195","","","","","","1.012","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7200563","14.767","0.003","11.735","0.002","5.0741","0.001","90","","90","","90","","879.3","0.3","150","2","150","2","","","","","","","synthesis as described","4","P n m a","-P 2ac 2n","62","Urea-glutaric acid","Urea-glutaric acid","","- C6 H12 N2 O5 -","- C6 H12 N2 O5 -","- C24 H48 N8 O20 -","4","0.5","","Chadwick, Keith; Davey, Roger; Sadiq, Ghazala; Cross, Wendy; Pritchard, Robin","The utility of a ternary phase diagram in the discovery of new co-crystal forms","CrystEngComm","2009","11","3","412","","10.1039/b818268j","","x-ray","0.71073","MoKα","","0.1432","0.0771","","","0.1543","0.1897","","","","","","1.16","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200564","17.372","0.004","5.1248","0.0013","11.968","0.003","90","","103.925","0.004","90","","1034.2","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N-(2-hydroxyethyl)-2-oxo-2H-chromene-3-carboxamide","","","- C12 H11 N O4 -","- C12 H11 N O4 -","- C48 H44 N4 O16 -","4","1","","Santos-Contreras, Rocío J.; Martínez-Martínez, Francisco J.; Mancilla-Margalli, N. Alejandra; Peraza-Campos, Ana L.; Morín-Sánchez, Luis M.; García-Báez, Efrén V.; Padilla-Martínez, Itzia I.","Competition between OH⋯O and multiple halogen‒dipole interactions on the formation of intramolecular three-centred hydrogen bond in 3-acyl coumarins","CrystEngComm","2009","11","7","1451","","10.1039/b818309k","","","0.71073","MoKα","","0.0614","0.0493","","","0.1215","0.1286","","","","","","1.027","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200565","5.0399","0.0013","8.901","0.002","14.031","0.004","94.044","0.004","91.533","0.004","90.092","0.004","627.6","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","N-(2-hydroxyethyl)-6-nitro-2-oxo-2H-chromene-3-carboxamide hydrate","N-(2-hydroxyethyl)-6-nitro-2-oxo-2H-chromene-3-carboxamide hydrate","","- C12 H12 N2 O7 -","- C12 H12 N2 O7 -","- C24 H24 N4 O14 -","2","1","","Santos-Contreras, Rocío J.; Martínez-Martínez, Francisco J.; Mancilla-Margalli, N. Alejandra; Peraza-Campos, Ana L.; Morín-Sánchez, Luis M.; García-Báez, Efrén V.; Padilla-Martínez, Itzia I.","Competition between OH⋯O and multiple halogen‒dipole interactions on the formation of intramolecular three-centred hydrogen bond in 3-acyl coumarins","CrystEngComm","2009","11","7","1451","","10.1039/b818309k","","","0.71073","MoKα","","0.0602","0.0537","","","0.1267","0.1304","","","","","","1.243","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200566","6.8051","0.0014","24.947","0.005","8.097","0.003","90","","123.45","0.02","90","","1146.9","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N-(2-hydroxyethyl)-6-methoxy-2-oxo-2H-chromene-3-carboxamide","N-(2-hydroxyethyl)-6-methoxy-2-oxo-2H-chromene-3-carboxamide","","- C13 H13 N O5 -","- C13 H13 N O5 -","- C52 H52 N4 O20 -","4","1","","Santos-Contreras, Rocío J.; Martínez-Martínez, Francisco J.; Mancilla-Margalli, N. Alejandra; Peraza-Campos, Ana L.; Morín-Sánchez, Luis M.; García-Báez, Efrén V.; Padilla-Martínez, Itzia I.","Competition between OH⋯O and multiple halogen‒dipole interactions on the formation of intramolecular three-centred hydrogen bond in 3-acyl coumarins","CrystEngComm","2009","11","7","1451","","10.1039/b818309k","","","0.71073","MoKα","","0.0457","0.0378","","","0.1075","0.1138","","","","","","1.019","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200567","5.3567","0.0005","22.078","0.002","9.3087","0.0008","90","","91.873","0.002","90","","1100.31","0.17","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","6-chloro-N-(2-hydroxyethyl)-2-oxo-2H-chromene-3-carboxamide","6-chloro-N-(2-hydroxyethyl)-2-oxo-2H-chromene-3-carboxamide","","- C12 H10 Cl N O4 -","- C12 H10 Cl N O4 -","- C48 H40 Cl4 N4 O16 -","4","1","","Santos-Contreras, Rocío J.; Martínez-Martínez, Francisco J.; Mancilla-Margalli, N. Alejandra; Peraza-Campos, Ana L.; Morín-Sánchez, Luis M.; García-Báez, Efrén V.; Padilla-Martínez, Itzia I.","Competition between OH⋯O and multiple halogen‒dipole interactions on the formation of intramolecular three-centred hydrogen bond in 3-acyl coumarins","CrystEngComm","2009","11","7","1451","","10.1039/b818309k","","","0.71073","MoKα","","0.0384","0.0372","","","0.0916","0.0925","","","","","","1.096","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200568","8.2813","0.0007","25.012","0.002","5.5283","0.0005","90","","94.459","0.002","90","","1141.62","0.17","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Br N O4 -","- C12 H10 Br N O4 -","- C48 H40 Br4 N4 O16 -","4","1","","Santos-Contreras, Rocío J.; Martínez-Martínez, Francisco J.; Mancilla-Margalli, N. Alejandra; Peraza-Campos, Ana L.; Morín-Sánchez, Luis M.; García-Báez, Efrén V.; Padilla-Martínez, Itzia I.","Competition between OH⋯O and multiple halogen‒dipole interactions on the formation of intramolecular three-centred hydrogen bond in 3-acyl coumarins","CrystEngComm","2009","11","7","1451","","10.1039/b818309k","","","0.71073","MoKα","","0.0575","0.0544","","","0.1142","0.1158","","","","","","1.166","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200575","30.0965","0.0016","30.0965","0.0016","30.0965","0.0016","90","","90","","90","","27261","3","291","2","291","2","","","","","","","","8","I -4 3 d","I -4bd 2c 3","220","","","","- C32 H50.67 Br4 Cu6 N24 O13.33 S4 W -","- C32 H50.64 Br4 Cu6 N24 O13.3333 S4 W -","- C384 H607.68 Br48 Cu72 N288 O160 S48 W12 -","12","0.25","","Pan, Zhao-Rui; Yao, Xiao-Qiang; Zheng, He-Gen; Li, Yi-Zhi; Guo, Zi-Jian; Batten, Stuart R.","Unusual three-dimensional coordination networks with [WS4Cu6] cluster nodes and α-C3N4 topology","CrystEngComm","2009","11","4","605","","10.1039/b818381c","","","0.71073","MoKα","","0.0562","0.0528","","","0.1182","0.1196","","","","","","1.027","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200576","30.3934","0.0018","30.3934","0.0018","30.3934","0.0018","90","","90","","90","","28076","3","291","2","291","2","","","","","","","","8","I -4 3 d","I -4bd 2c 3","220","","","","- C40 H58.666 Br4 Cu6 N16 O13.333 S4 W -","- C40 H58.6672 Br4 Cu6 N16 O13.3333 S4 W -","- C480 H704.006 Br48 Cu72 N192 O160 S48 W12 -","12","0.25","","Pan, Zhao-Rui; Yao, Xiao-Qiang; Zheng, He-Gen; Li, Yi-Zhi; Guo, Zi-Jian; Batten, Stuart R.","Unusual three-dimensional coordination networks with [WS4Cu6] cluster nodes and α-C3N4 topology","CrystEngComm","2009","11","4","605","","10.1039/b818381c","","","0.71073","MoKα","","0.0502","0.0441","","","0.0843","0.0859","","","","","","1.098","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200577","6.942","0.003","27.341","0.011","11.782","0.005","90","","90.095","0.007","90","","2236.2","1.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 F6 Mn O8 -","- C19 H20 F6 Mn O8 -","- C76 H80 F24 Mn4 O32 -","4","1","","Jiang, Xiu-Juan; Zhang, Su-Zhen; Guo, Jian-Hua; Wang, Xiu-Guang; Li, Jin-Shan; Du, Miao","Structural diversity and modulation of metal‒organic coordination frameworks with a flexible V-shaped dicarboxyl building block","CrystEngComm","2009","11","5","855","","10.1039/b818567k","","","0.71073","MoKα","","0.0534","0.0361","","","0.0854","0.0936","","","","","","1.043","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200578","6.877","0.005","27.252","0.018","11.664","0.008","90","","90.052","0.003","90","","2186","3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 Co F6 O8 -","- C19 H20 Co F6 O8 -","- C76 H80 Co4 F24 O32 -","4","1","","Jiang, Xiu-Juan; Zhang, Su-Zhen; Guo, Jian-Hua; Wang, Xiu-Guang; Li, Jin-Shan; Du, Miao","Structural diversity and modulation of metal‒organic coordination frameworks with a flexible V-shaped dicarboxyl building block","CrystEngComm","2009","11","5","855","","10.1039/b818567k","","","0.71073","MoKα","","0.0741","0.039","","","0.0836","0.0967","","","","","","1.034","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200579","6.8247","0.0005","27.1975","0.0019","11.5922","0.0008","90","","90.035","0.001","90","","2151.7","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 F6 Ni O8 -","- C19 H20 F6 Ni O8 -","- C76 H80 F24 Ni4 O32 -","4","1","","Jiang, Xiu-Juan; Zhang, Su-Zhen; Guo, Jian-Hua; Wang, Xiu-Guang; Li, Jin-Shan; Du, Miao","Structural diversity and modulation of metal‒organic coordination frameworks with a flexible V-shaped dicarboxyl building block","CrystEngComm","2009","11","5","855","","10.1039/b818567k","","","0.71073","MoKα","","0.051","0.0358","","","0.0852","0.0929","","","","","","1.029","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200580","12.6969","0.0007","6.9692","0.0004","23.6089","0.0009","90","","118.499","0.002","90","","1835.94","0.17","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C17 H10 Cu F6 O5 -","- C17 H10 Cu F6 O5 -","- C68 H40 Cu4 F24 O20 -","4","1","","Jiang, Xiu-Juan; Zhang, Su-Zhen; Guo, Jian-Hua; Wang, Xiu-Guang; Li, Jin-Shan; Du, Miao","Structural diversity and modulation of metal‒organic coordination frameworks with a flexible V-shaped dicarboxyl building block","CrystEngComm","2009","11","5","855","","10.1039/b818567k","","","0.71073","MoKα","","0.0309","0.0245","","","0.063","0.067","","","","","","1.009","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200581","12.9861","0.0017","12.1989","0.0016","13.2626","0.0017","90","","95.072","0.002","90","","2092.8","0.5","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H34 F12 O16 Zn2 -","- C35 H34 F12 O16 Zn2 -","- C70 H68 F24 O32 Zn4 -","2","1","","Jiang, Xiu-Juan; Zhang, Su-Zhen; Guo, Jian-Hua; Wang, Xiu-Guang; Li, Jin-Shan; Du, Miao","Structural diversity and modulation of metal‒organic coordination frameworks with a flexible V-shaped dicarboxyl building block","CrystEngComm","2009","11","5","855","","10.1039/b818567k","","","0.71073","MoKα","","0.0482","0.0357","","","0.0693","0.0746","","","","","","1.002","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200582","30.984","0.006","30.984","0.006","6.7681","0.0014","90","","90","","90","","6497","2","296","2","296","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C34 H18 Ag2 F12 O8 -","- C34 H18 Ag2 F12 O8 -","- C272 H144 Ag16 F96 O64 -","8","1","","Jiang, Xiu-Juan; Zhang, Su-Zhen; Guo, Jian-Hua; Wang, Xiu-Guang; Li, Jin-Shan; Du, Miao","Structural diversity and modulation of metal‒organic coordination frameworks with a flexible V-shaped dicarboxyl building block","CrystEngComm","2009","11","5","855","","10.1039/b818567k","","","0.71073","MoKα","","0.0659","0.0552","","","0.1287","0.135","","","","","","1.083","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200583","5.592","0.003","12.044","0.001","13.131","0.005","90","","96","0.05","90","","879.5","0.6","295","","295","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","nicotinamide fumaric acid 2:1","nicotinamide fumaric acid 2:1","","- C16 H16 N4 O6 -","- C16 H16 N4 O6 -","- C32 H32 N8 O12 -","2","0.5","","Orola, Liana; Veidis, Mikelis V.","Nicotinamide fumaric acid supramolecular cocrystals: diversity of stoichiometry","CrystEngComm","2009","11","3","415","","10.1039/b818667g","","","1.5418","CuKα","","0.058","0.0527","","0.0786","0.0673","0.0673","","","","","","1.1029","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200584","5.55","0.001","13.792","0.001","14.36","0.002","90","","93.41","0.01","90","","1097.2","0.3","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","nicotinamide fumaric acid 1:1","nicotinamide fumaric acid 1:1","","- C10 H10 N2 O5 -","- C10 H10 N2 O5 -","- C40 H40 N8 O20 -","4","1","","Orola, Liana; Veidis, Mikelis V.","Nicotinamide fumaric acid supramolecular cocrystals: diversity of stoichiometry","CrystEngComm","2009","11","3","415","","10.1039/b818667g","","","1.5418","CuKα","","0.0394","0.0329","","0.0582","0.0579","0.0579","","","","","","1.0483","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200589","25.9571","0.0007","25.9571","0.0007","22.5629","0.0012","90","","90","","120","","13165.5","0.9","173","2","173","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C75 H66 Ag4 As4 F24 N18 O9 -","- C75 H63 Ag4 As4 F24 N18 O9 -","- C450 H378 Ag24 As24 F144 N108 O54 -","6","0.166667","","Niu, Cao-Yuan; Wu, Ben-Lai; Zheng, Xian-Fu; Wan, Xin-Sheng; Zhang, Hong-Yun; Niu, Yun-Yin; Meng, Lu-Yan","Counteranion's effects on the structures of supramolecular silver coordination compounds of one asymmetric and one biting organic ligands","CrystEngComm","2009","11","7","1373","","10.1039/b818745b","","","0.71073","MoKα","","0.0393","0.0349","","","0.1022","0.106","","","","","","1.041","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200590","26.315","0.004","26.315","0.004","22.502","0.005","90","","90","","120","","13495","4","173","2","173","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C144 H108 Ag8 F48 N36 O12 Sb8 -","- C144 H108 Ag8 F48 N36 O12 Sb8 -","- C432 H324 Ag24 F144 N108 O36 Sb24 -","3","0.0833333","","Niu, Cao-Yuan; Wu, Ben-Lai; Zheng, Xian-Fu; Wan, Xin-Sheng; Zhang, Hong-Yun; Niu, Yun-Yin; Meng, Lu-Yan","Counteranion's effects on the structures of supramolecular silver coordination compounds of one asymmetric and one biting organic ligands","CrystEngComm","2009","11","7","1373","","10.1039/b818745b","","","0.71073","MoKα","","0.0481","0.0416","","","0.1115","0.1184","","","","","","1.021","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200591","25.012","0.003","6.9639","0.0008","15.0061","0.0018","90","","116.001","0.002","90","","2349.2","0.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 Ag N7 O5 -","- C24 H18 Ag N7 O5 -","- C96 H72 Ag4 N28 O20 -","4","0.5","","Niu, Cao-Yuan; Wu, Ben-Lai; Zheng, Xian-Fu; Wan, Xin-Sheng; Zhang, Hong-Yun; Niu, Yun-Yin; Meng, Lu-Yan","Counteranion's effects on the structures of supramolecular silver coordination compounds of one asymmetric and one biting organic ligands","CrystEngComm","2009","11","7","1373","","10.1039/b818745b","","","0.71073","MoKα","","0.0253","0.0231","","","0.0563","0.0581","","","","","","1.014","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200592","9.9336","0.0007","10.1696","0.0007","13.7544","0.0009","103.346","0.001","91.19","0.001","97.514","0.001","1338.47","0.16","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H22 Ag B F4 N6 O3 -","- C25 H22 Ag B F4 N6 O3 -","- C50 H44 Ag2 B2 F8 N12 O6 -","2","1","","Niu, Cao-Yuan; Wu, Ben-Lai; Zheng, Xian-Fu; Wan, Xin-Sheng; Zhang, Hong-Yun; Niu, Yun-Yin; Meng, Lu-Yan","Counteranion's effects on the structures of supramolecular silver coordination compounds of one asymmetric and one biting organic ligands","CrystEngComm","2009","11","7","1373","","10.1039/b818745b","","","0.71073","MoKα","","0.0409","0.0379","","","0.0996","0.1022","","","","","","0.962","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200593","6.2905","0.0005","22.8069","0.0019","10.1479","0.0008","90","","97.173","0.001","90","","1444.5","0.2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 Ag2 B2 F8 N8 S2 -","- C24 H16 Ag2 B2 F8 N8 S2 -","- C48 H32 Ag4 B4 F16 N16 S4 -","2","0.5","","Niu, Cao-Yuan; Wu, Ben-Lai; Zheng, Xian-Fu; Wan, Xin-Sheng; Zhang, Hong-Yun; Niu, Yun-Yin; Meng, Lu-Yan","Counteranion's effects on the structures of supramolecular silver coordination compounds of one asymmetric and one biting organic ligands","CrystEngComm","2009","11","7","1373","","10.1039/b818745b","","","0.71073","MoKα","","0.0443","0.04","","","0.1057","0.109","","","","","","1.05","","","","has coordinates,has disorder","180336","2020-10-21","18:00:00",""
"7200594","6.3525","0.0006","22.701","0.002","10.3344","0.001","90","","96.948","0.002","90","","1479.4","0.2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 Ag2 Cl2 N8 O8 S2 -","- C24 H16 Ag2 Cl2 N8 O8 S2 -","- C48 H32 Ag4 Cl4 N16 O16 S4 -","2","0.5","","Niu, Cao-Yuan; Wu, Ben-Lai; Zheng, Xian-Fu; Wan, Xin-Sheng; Zhang, Hong-Yun; Niu, Yun-Yin; Meng, Lu-Yan","Counteranion's effects on the structures of supramolecular silver coordination compounds of one asymmetric and one biting organic ligands","CrystEngComm","2009","11","7","1373","","10.1039/b818745b","","","0.71073","MoKα","","0.0477","0.0401","","","0.1096","0.1163","","","","","","1.05","","","","has coordinates,has disorder","180336","2020-10-21","18:00:00",""
"7200595","6.4014","0.0004","23.1239","0.0016","10.6375","0.0007","90","","96.063","0.001","90","","1565.81","0.18","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 Ag2 F12 N8 P2 S2 -","- C24 H16 Ag2 F12 N8 P2 S2 -","- C48 H32 Ag4 F24 N16 P4 S4 -","2","0.5","","Niu, Cao-Yuan; Wu, Ben-Lai; Zheng, Xian-Fu; Wan, Xin-Sheng; Zhang, Hong-Yun; Niu, Yun-Yin; Meng, Lu-Yan","Counteranion's effects on the structures of supramolecular silver coordination compounds of one asymmetric and one biting organic ligands","CrystEngComm","2009","11","7","1373","","10.1039/b818745b","","","0.71073","MoKα","","0.0284","0.0253","","","0.0643","0.0665","","","","","","1.027","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200596","8.4118","0.001","8.6865","0.001","11.089","0.002","86.128","0.007","77.818","0.012","80.346","0.013","780.4","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H16 Ag2 As2 F12 N8 S2 -","- C24 H16 Ag2 As2 F12 N8 S2 -","- C24 H16 Ag2 As2 F12 N8 S2 -","1","0.5","","Niu, Cao-Yuan; Wu, Ben-Lai; Zheng, Xian-Fu; Wan, Xin-Sheng; Zhang, Hong-Yun; Niu, Yun-Yin; Meng, Lu-Yan","Counteranion's effects on the structures of supramolecular silver coordination compounds of one asymmetric and one biting organic ligands","CrystEngComm","2009","11","7","1373","","10.1039/b818745b","","","0.71073","MoKα","","0.0346","0.0309","","","0.085","0.0872","","","","","","1.071","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200597","7.8745","0.0014","14.061","0.002","14.463","0.003","68.322","0.003","86.714","0.003","88.93","0.003","1485.7","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H36 Ag4 N20 O13 S4 -","- C49 H36 Ag4 N20 O13 S4 -","- C49 H36 Ag4 N20 O13 S4 -","1","0.5","","Niu, Cao-Yuan; Wu, Ben-Lai; Zheng, Xian-Fu; Wan, Xin-Sheng; Zhang, Hong-Yun; Niu, Yun-Yin; Meng, Lu-Yan","Counteranion's effects on the structures of supramolecular silver coordination compounds of one asymmetric and one biting organic ligands","CrystEngComm","2009","11","7","1373","","10.1039/b818745b","","","0.71073","MoKα","","0.0621","0.0467","","","0.1293","0.1406","","","","","","1.005","","","","has coordinates,has disorder","180336","2020-10-21","18:00:00",""
"7200598","7.4577","0.0008","7.5306","0.0008","12.8304","0.0013","101.086","0.002","92.947","0.002","90.682","0.002","706.01","0.13","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H16 Ag F6 N8 S2 Sb -","- C24 H16 Ag F6 N8 S2 Sb -","- C24 H16 Ag F6 N8 S2 Sb -","1","0.5","","Niu, Cao-Yuan; Wu, Ben-Lai; Zheng, Xian-Fu; Wan, Xin-Sheng; Zhang, Hong-Yun; Niu, Yun-Yin; Meng, Lu-Yan","Counteranion's effects on the structures of supramolecular silver coordination compounds of one asymmetric and one biting organic ligands","CrystEngComm","2009","11","7","1373","","10.1039/b818745b","","","0.71073","MoKα","","0.0435","0.0405","","","0.1043","0.108","","","","","","1.076","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200599","8.414","0.003","11.946","0.004","11.997","0.004","111.512","0.005","103.439","0.005","94.999","0.005","1071.2","0.6","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H32 Cu N18 O2 S2 -","- C42 H32 Cu N18 O2 S2 -","- C42 H32 Cu N18 O2 S2 -","1","0.5","","Zhao, Xia-Xia; Ma, Jian-Ping; Shen, Da-Zhong; Dong, Yu-Bin; Huang, Ru-Qi","Bird-like spiro-metallacyclic complexes based on a bent oxadiazole bridging ligand","CrystEngComm","2009","11","7","1281","","10.1039/b818753n","","","0.71073","MoKα","","0.1487","0.0785","","","0.1746","0.2094","","","","","","1.017","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200600","8.335","0.002","12.075","0.003","12.621","0.003","69.886","0.003","78.08","0.004","70.235","0.003","1116.6","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H40 Cu N18 O12 -","- C40 H40 Cu N18 O12 -","- C40 H40 Cu N18 O12 -","1","0.5","","Zhao, Xia-Xia; Ma, Jian-Ping; Shen, Da-Zhong; Dong, Yu-Bin; Huang, Ru-Qi","Bird-like spiro-metallacyclic complexes based on a bent oxadiazole bridging ligand","CrystEngComm","2009","11","7","1281","","10.1039/b818753n","","","0.71073","MoKα","","0.059","0.0499","","","0.1156","0.1218","","","","","","1.026","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200601","8.816","0.004","11.435","0.005","11.563","0.005","106.243","0.007","101.104","0.007","106.755","0.007","1023.2","0.8","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H36 Cl2 Cu N16 O4 -","- C40 H36 Cl2 Cu N16 O4 -","- C40 H36 Cl2 Cu N16 O4 -","1","0.5","","Zhao, Xia-Xia; Ma, Jian-Ping; Shen, Da-Zhong; Dong, Yu-Bin; Huang, Ru-Qi","Bird-like spiro-metallacyclic complexes based on a bent oxadiazole bridging ligand","CrystEngComm","2009","11","7","1281","","10.1039/b818753n","","","0.71073","MoKα","","0.076","0.0537","","","0.1164","0.1261","","","","","","0.983","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200602","8.184","0.003","12.132","0.005","12.476","0.005","111.198","0.006","93.7","0.007","102.697","0.007","1112.5","0.8","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H32 Cd N18 O2 S2 -","- C42 H32 Cd N18 O2 S2 -","- C42 H32 Cd N18 O2 S2 -","1","0.5","","Zhao, Xia-Xia; Ma, Jian-Ping; Shen, Da-Zhong; Dong, Yu-Bin; Huang, Ru-Qi","Bird-like spiro-metallacyclic complexes based on a bent oxadiazole bridging ligand","CrystEngComm","2009","11","7","1281","","10.1039/b818753n","","","0.71073","MoKα","","0.0779","0.0591","","","0.1117","0.1222","","","","","","1.012","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200603","9.915","0.002","11.385","0.003","11.494","0.003","82.08","0.003","81.354","0.003","72.722","0.003","1218.9","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H16 Cd N10 O S2 -","- C22 H16 Cd N10 O S2 -","- C44 H32 Cd2 N20 O2 S4 -","2","1","","Zhao, Xia-Xia; Ma, Jian-Ping; Shen, Da-Zhong; Dong, Yu-Bin; Huang, Ru-Qi","Bird-like spiro-metallacyclic complexes based on a bent oxadiazole bridging ligand","CrystEngComm","2009","11","7","1281","","10.1039/b818753n","","","0.71073","MoKα","","0.0359","0.0317","","","0.0745","0.0767","","","","","","1.03","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200604","23.327","0.005","9.0863","0.0019","21.994","0.004","90","","113.821","0.003","90","","4264.6","1.5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H36 Co N18 O10 -","- C40 H36 Co N18 O10 -","- C160 H144 Co4 N72 O40 -","4","0.5","","Zhao, Xia-Xia; Ma, Jian-Ping; Shen, Da-Zhong; Dong, Yu-Bin; Huang, Ru-Qi","Bird-like spiro-metallacyclic complexes based on a bent oxadiazole bridging ligand","CrystEngComm","2009","11","7","1281","","10.1039/b818753n","","","0.71073","MoKα","","0.1062","0.0691","","","0.1305","0.1451","","","","","","1.044","","","","has coordinates,has disorder","180337","2020-10-21","18:00:00",""
"7200605","9.215","0.002","10.272","0.002","12.167","0.003","91.563","0.003","104.441","0.003","90.913","0.003","1114.6","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H40 Cl2 Co N16 O3 -","- C44 H40 Cl2 Co N16 O3 -","- C44 H40 Cl2 Co N16 O3 -","1","0.5","","Zhao, Xia-Xia; Ma, Jian-Ping; Shen, Da-Zhong; Dong, Yu-Bin; Huang, Ru-Qi","Bird-like spiro-metallacyclic complexes based on a bent oxadiazole bridging ligand","CrystEngComm","2009","11","7","1281","","10.1039/b818753n","","","0.71073","MoKα","","0.0669","0.0519","","","0.1106","0.1186","","","","","","1.03","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200606","9.215","0.002","10.272","0.002","12.167","0.003","91.563","0.003","104.441","0.003","90.913","0.003","1114.6","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H40 Cl2 Mn N16 O3 -","- C44 H40 Cl2 Mn N16 O3 -","- C44 H40 Cl2 Mn N16 O3 -","1","0.5","","Zhao, Xia-Xia; Ma, Jian-Ping; Shen, Da-Zhong; Dong, Yu-Bin; Huang, Ru-Qi","Bird-like spiro-metallacyclic complexes based on a bent oxadiazole bridging ligand","CrystEngComm","2009","11","7","1281","","10.1039/b818753n","","","0.71073","MoKα","","0.0596","0.0476","","","0.1057","0.1138","","","","","","1.035","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200612","16.427","0.0017","6.1377","0.0006","19.2741","0.0019","90","","91.317","0.002","90","","1942.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-O-TOSYL 2,6-O-DIACETYL MYO-INOSITOL 1,3,5 ORTHOFORMATE","","- C18 H20 O10 S -","- C18 H20 O10 S -","- C72 H80 O40 S4 -","4","1","","Manoj, K.; Gonnade, Rajesh G.; Bhadbhade, Mohan M.; Shashidhar, Mysore S.","Isostructural molecular strings linked via conserved dipolar (ether) O⋯CO short contacts in conformational polymorphs of racemic 2,4-di-O-acetyl-6-O-tosyl-myo-inositol 1,3,5-orthoesters","CrystEngComm","2009","11","6","1022","","10.1039/b818888b","","","0.71073","MoKα","","0.0453","0.0404","","","0.1028","0.106","","","","","","1.049","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200613","6.206","0.002","14.602","0.005","42.099","0.013","90","","90","","90","","3815","2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","6-O-TOSYL 2,4-O-DIACETYL MYO-INOSITOL 1,3,5 ORTHOFORMATE","","- C18 H20 O10 S -","- C18 H20 O10 S -","- C144 H160 O80 S8 -","8","1","","Manoj, K.; Gonnade, Rajesh G.; Bhadbhade, Mohan M.; Shashidhar, Mysore S.","Isostructural molecular strings linked via conserved dipolar (ether) O⋯CO short contacts in conformational polymorphs of racemic 2,4-di-O-acetyl-6-O-tosyl-myo-inositol 1,3,5-orthoesters","CrystEngComm","2009","11","6","1022","","10.1039/b818888b","","","0.71073","MoKα","","0.2079","0.0749","","","0.1408","0.1852","","","","","","1.001","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200614","6.2596","0.0008","9.8947","0.0012","17.022","0.002","87.723","0.002","89.46","0.002","76.195","0.002","1023","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","6-O-TOSYL 4,2-DI-O-ACETYL MYO-INOSITOL ORTHOACETATE","","- C19 H22 O10 S -","- C19 H22 O10 S -","- C38 H44 O20 S2 -","2","1","","Manoj, K.; Gonnade, Rajesh G.; Bhadbhade, Mohan M.; Shashidhar, Mysore S.","Isostructural molecular strings linked via conserved dipolar (ether) O⋯CO short contacts in conformational polymorphs of racemic 2,4-di-O-acetyl-6-O-tosyl-myo-inositol 1,3,5-orthoesters","CrystEngComm","2009","11","6","1022","","10.1039/b818888b","","","0.71073","MoKα","","0.0514","0.044","","","0.1136","0.1185","","","","","","1.058","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200615","9.2713","0.0011","35.728","0.004","6.1772","0.0008","90","","90.872","0.002","90","","2045.9","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-O-TOSYL 4,2-DI-O-ACETYL MYO-INOSITOL ORTHOACETATE","","- C19 H22 O10 S -","- C19 H22 O10 S -","- C76 H88 O40 S4 -","4","1","","Manoj, K.; Gonnade, Rajesh G.; Bhadbhade, Mohan M.; Shashidhar, Mysore S.","Isostructural molecular strings linked via conserved dipolar (ether) O⋯CO short contacts in conformational polymorphs of racemic 2,4-di-O-acetyl-6-O-tosyl-myo-inositol 1,3,5-orthoesters","CrystEngComm","2009","11","6","1022","","10.1039/b818888b","","","0.71073","MoKα","","0.1404","0.0841","","","0.1332","0.1488","","","","","","1.203","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200620","18.034","0.003","14.2859","0.0009","8.9174","0.001","90","","109.46","0.005","90","","2166.2","0.5","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C15 H17 Ag Cl N4 O5.5 S3 -","- C15 H12 Ag Cl N4 O5.5 S3 -","- C60 H48 Ag4 Cl4 N16 O22 S12 -","4","0.5","","Wei, Wei; Wu, Mingyan; Huang, Yougui; Gao, Qiang; Zhang, Qingfu; Jiang, Feilong; Hong, Maochun","Precursory disilver(I) macrocycle with pendent binding sites: a new building block for targeting coordination polymers based on solvent-controlled conformational variation","CrystEngComm","2009","11","4","576","","10.1039/b818930g","","","0.71073","MoKα","","0.0454","0.0395","","","0.1002","0.1051","","","","","","1.049","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7200621","26.425","0.003","27.128","0.003","10.9079","0.0014","90","","90","","90","","7819.4","1.6","293","2","293","2","","","","","","","","7","C m c 21","C 2c -2","36","","","","- C28 H24 Ag2 Cl2 N8 O8 S6 -","- C28 H24 Ag2 Cl2 N8 O8 S6 -","- C224 H192 Ag16 Cl16 N64 O64 S48 -","8","1","","Wei, Wei; Wu, Mingyan; Huang, Yougui; Gao, Qiang; Zhang, Qingfu; Jiang, Feilong; Hong, Maochun","Precursory disilver(I) macrocycle with pendent binding sites: a new building block for targeting coordination polymers based on solvent-controlled conformational variation","CrystEngComm","2009","11","4","576","","10.1039/b818930g","","","0.71073","MoKα","","0.0488","0.0457","","","0.1278","0.1321","","","","","","1.061","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200627","8.7114","0.0012","13.7087","0.0018","11.8156","0.0016","90","","93.082","0.002","90","","1409","0.3","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H6 Cd3 Cl3 N9 -","- C6 H6 Cd3 Cl3 N9 -","- C24 H24 Cd12 Cl12 N36 -","4","0.5","","Zhou, Xin-Hui; Peng, Yan-Hong; Du, Xiao-Di; Zuo, Jing-Lin; You, Xiao-Zeng","Hydrothermal syntheses and structures of three novel coordination polymers assembled from 1,2,3-triazolate ligands","CrystEngComm","2009","11","9","1964","","10.1039/b819302a","","","0.71073","MoKα","","0.0412","0.038","","","0.0941","0.0962","","","","","","1.073","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200628","18.5954","0.0008","18.5954","0.0008","18.5954","0.0008","90","","90","","90","","6430.1","0.5","291","2","291","2","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C12 H24 Cd3 N18 O6 -","- C12 H12 Cd3 N18 O6 -","- C96 H96 Cd24 N144 O48 -","8","0.0416667","","Zhou, Xin-Hui; Peng, Yan-Hong; Du, Xiao-Di; Zuo, Jing-Lin; You, Xiao-Zeng","Hydrothermal syntheses and structures of three novel coordination polymers assembled from 1,2,3-triazolate ligands","CrystEngComm","2009","11","9","1964","","10.1039/b819302a","","","0.71073","MoKα","","0.049","0.0363","","","0.0628","0.0649","","","","","","1.326","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7200629","17.54","0.004","18.008","0.004","11.256","0.003","90","","90","","90","","3555.3","1.5","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H6 Cu6 I3 N9 -","- C6 H6 Cu6 I3 N9 -","- C48 H48 Cu48 I24 N72 -","8","1","","Zhou, Xin-Hui; Peng, Yan-Hong; Du, Xiao-Di; Zuo, Jing-Lin; You, Xiao-Zeng","Hydrothermal syntheses and structures of three novel coordination polymers assembled from 1,2,3-triazolate ligands","CrystEngComm","2009","11","9","1964","","10.1039/b819302a","","","0.71073","MoKα","","0.0851","0.0589","","","0.1096","0.1185","","","","","","1.056","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200630","12.4","0.003","7.8407","0.0019","8.385","0.002","90","","108.177","0.004","90","","774.5","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(cyclopropylammonium)tetrabromoplumbate(ii)","bis(cyclopropylammonium)tetrabromoplumbate(II)","","- C6 H16 Br4 N2 Pb -","- C6 H16 Br4 N2 Pb -","- C12 H32 Br8 N4 Pb2 -","2","0.5","","Billing, David G.; Lemmerer, Andreas","Inorganic‒organic hybrid materials incorporating primary cyclic ammonium cations: The lead bromide and chloride series","CrystEngComm","2009","11","8","1549","","10.1039/b819455f","","","0.71073","MoKα","","0.0572","0.045","","","0.1128","0.1206","","","","","","1.045","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200631","13.278","0.003","7.9463","0.0018","8.4703","0.0019","90","","108.43","0.004","90","","847.9","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(cyclobutylammonium)tetrabromoplumbate(ii)","bis(cyclobutylammonium)tetrabromoplumbate(II)","","- C8 H20 Br4 N2 Pb -","- C8 H20 Br4 N2 Pb -","- C16 H40 Br8 N4 Pb2 -","2","0.5","","Billing, David G.; Lemmerer, Andreas","Inorganic‒organic hybrid materials incorporating primary cyclic ammonium cations: The lead bromide and chloride series","CrystEngComm","2009","11","8","1549","","10.1039/b819455f","","","0.71073","MoKα","","0.06","0.0374","","","0.082","0.0875","","","","","","0.964","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200632","13.429","0.003","7.9862","0.0019","8.8","0.002","90","","106.163","0.004","90","","906.5","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(cyclopentylammonium)tetrabromoplumbate(ii)","bis(cyclopentylammonium)tetrabromoplumbate(II)","","- C10 H24 Br4 N2 Pb -","- C10 H24 Br4 N2 Pb -","- C20 H48 Br8 N4 Pb2 -","2","0.5","","Billing, David G.; Lemmerer, Andreas","Inorganic‒organic hybrid materials incorporating primary cyclic ammonium cations: The lead bromide and chloride series","CrystEngComm","2009","11","8","1549","","10.1039/b819455f","","","0.71073","MoKα","","0.0459","0.0409","","","0.1109","0.1146","","","","","","1.07","","","","has coordinates,has disorder","180337","2020-10-21","18:00:00",""
"7200633","27.788","0.005","8.6541","0.0014","8.2367","0.0013","90","","90","","90","","1980.8","0.6","173","2","173","2","","","","","","","","5","C m c 21","C 2c -2","36","bis(cyclohexylammonium)tetrabromoplumbate(ii)","bis(cyclohexylammonium)tetrabromoplumbate(II)","","- C12 H28 Br4 N2 Pb -","- C12 H28 Br4 N2 Pb -","- C48 H112 Br16 N8 Pb4 -","4","0.5","","Billing, David G.; Lemmerer, Andreas","Inorganic‒organic hybrid materials incorporating primary cyclic ammonium cations: The lead bromide and chloride series","CrystEngComm","2009","11","8","1549","","10.1039/b819455f","","","0.71073","MoKα","","0.041","0.036","","","0.0892","0.0922","","","","","","1.028","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200634","8.0888","0.0004","27.1707","0.0015","28.9932","0.0016","90","","90","","90","","6372.1","0.6","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","tris(cycloheptylammonium)pentabromoplumbate(ii)","tris(cycloheptylammonium)pentabromoplumbate(II)","","- C21 H50 Br5 N3 O Pb -","- C21 H50 Br5 N3 O Pb -","- C168 H400 Br40 N24 O8 Pb8 -","8","1","","Billing, David G.; Lemmerer, Andreas","Inorganic‒organic hybrid materials incorporating primary cyclic ammonium cations: The lead bromide and chloride series","CrystEngComm","2009","11","8","1549","","10.1039/b819455f","","","0.71073","MoKα","","0.1636","0.1401","","","0.2619","0.27","","","","","","1.332","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200635","11.7861","0.0011","16.0354","0.0016","31.135","0.003","92.891","0.004","96.42","0.004","100.267","0.004","5738.9","1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","dekakis(cyclooctylammonium)octadecabromotetraplumbate(ii)","dekakis(cyclooctylammonium)octadecabromotetraplumbate(II)","","- C80 H180 Br18 N10 Pb4 -","- C80 H180 Br18 N10 Pb4 -","- C160 H360 Br36 N20 Pb8 -","2","1","","Billing, David G.; Lemmerer, Andreas","Inorganic‒organic hybrid materials incorporating primary cyclic ammonium cations: The lead bromide and chloride series","CrystEngComm","2009","11","8","1549","","10.1039/b819455f","","","0.71073","MoKα","","0.1058","0.0539","","","0.123","0.1393","","","","","","0.999","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200636","12.187","0.005","7.508","0.003","8.054","0.003","90","","109.141","0.006","90","","696.2","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(cyclopropylammonium)tetrachloroplumbate(ii)","bis(cyclopropylammonium)tetrachloroplumbate(II)","","- C6 H16 Cl4 N2 Pb -","- C6 H16 Cl4 N2 Pb -","- C12 H32 Cl8 N4 Pb2 -","2","0.5","","Billing, David G.; Lemmerer, Andreas","Inorganic‒organic hybrid materials incorporating primary cyclic ammonium cations: The lead bromide and chloride series","CrystEngComm","2009","11","8","1549","","10.1039/b819455f","","","0.71073","MoKα","","0.0377","0.0308","","","0.0881","0.0914","","","","","","1.132","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200637","13.219","0.005","7.618","0.003","8.093","0.003","90","","106.828","0.007","90","","780.1","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(cyclobutylammonium)tetrachloroplumbate(ii)","bis(cyclobutylammonium)tetrachloroplumbate(II)","","- C8 H20 Cl4 N2 Pb -","- C8 H20 Cl4 N2 Pb -","- C16 H40 Cl8 N4 Pb2 -","2","0.5","","Billing, David G.; Lemmerer, Andreas","Inorganic‒organic hybrid materials incorporating primary cyclic ammonium cations: The lead bromide and chloride series","CrystEngComm","2009","11","8","1549","","10.1039/b819455f","","","0.71073","MoKα","","0.0817","0.0771","","","0.1927","0.1942","","","","","","1.491","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200638","25.842","0.001","8.5174","0.0003","7.6956","0.0003","90","","90","","90","","1693.85","0.11","293","2","293","2","","","","","","","","5","C m c a","-C 2ac 2","64","bis(cyclopentylammonium)tetrachloroplumbate(ii)","bis(cyclopentylammonium)tetrachloroplumbate(II)","","- C10 H24 Cl4 N2 Pb -","- C10 H24 Cl4 N2 Pb -","- C40 H96 Cl16 N8 Pb4 -","4","","","Billing, David G.; Lemmerer, Andreas","Inorganic‒organic hybrid materials incorporating primary cyclic ammonium cations: The lead bromide and chloride series","CrystEngComm","2009","11","8","1549","","10.1039/b819455f","","","0.71073","MoKα","","0.0522","0.0411","","","0.1052","0.1127","","","","","","1.054","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7200639","11.4446","0.0011","28.306","0.003","11.5206","0.001","90","","90.031","0.006","90","","3732.1","0.6","173","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","bis(cyclohexylammonium)tetrachloroplumbate(ii)","bis(cyclohexylammonium)tetrachloroplumbate(II)","","- C24 H56 Cl8 N4 Pb2 -","- C24 H56 Cl8 N4 Pb2 -","- C96 H224 Cl32 N16 Pb8 -","4","1","","Billing, David G.; Lemmerer, Andreas","Inorganic‒organic hybrid materials incorporating primary cyclic ammonium cations: The lead bromide and chloride series","CrystEngComm","2009","11","8","1549","","10.1039/b819455f","","","0.71073","MoKα","","0.0377","0.032","","","0.0747","0.0767","","","","","","1.153","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200640","12.7667","0.0015","46.043","0.005","14.9592","0.0015","90","","94.385","0.005","90","","8767.5","1.7","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","heptadecakis(cycloheptylammonium)hentriacontachloroheptaplumba te(ii) dihydrate","heptadecakis(cycloheptylammonium)hentriacontachloroheptaplumbate(II) dihydrate","","- C119 H276 Cl31 N17 O2 Pb7 -","- C119 H276 Cl31 N17 O2 Pb7 -","- C238 H552 Cl62 N34 O4 Pb14 -","2","1","","Billing, David G.; Lemmerer, Andreas","Inorganic‒organic hybrid materials incorporating primary cyclic ammonium cations: The lead bromide and chloride series","CrystEngComm","2009","11","8","1549","","10.1039/b819455f","","","0.71073","MoKα","","0.0684","0.0457","","","0.0983","0.1069","","","","","","0.933","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200641","17.365","0.003","19.016","0.004","19.357","0.004","63.476","0.003","70.493","0.004","88.146","0.004","5339","1.8","173","2","173","2","","","","","","","","5","P -1","-P 1","2","octadecakis(cyclooctylammonium)tetracontachloroundecaplumbate( ii)","octadecakis(cyclooctylammonium)tetracontachloroundecaplumbate(II)","","- C144 H324 Cl40 N18 Pb11 -","- C144 H324 Cl40 N18 Pb11 -","- C144 H324 Cl40 N18 Pb11 -","1","0.5","","Billing, David G.; Lemmerer, Andreas","Inorganic‒organic hybrid materials incorporating primary cyclic ammonium cations: The lead bromide and chloride series","CrystEngComm","2009","11","8","1549","","10.1039/b819455f","","","0.71073","MoKα","","0.0906","0.0581","","","0.1429","0.1669","","","","","","1.034","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200644","6.9007","0.0001","7.4722","0.0001","8.2521","0.0002","90.227","0.001","108.67","0.001","93.332","0.001","402.319","0.013","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H14 Mg2 O14 -","- C10 H14 Mg2 O14 -","- C10 H14 Mg2 O14 -","1","0.5","","Liu, Hsin-Kuan; Tsao, Tai-Hsing; Zhang, Ya-Ting; Lin, Chia-Her","Microwave synthesis and single-crystal-to-single-crystal transformation of magnesium coordination polymers exhibiting selective gas adsorption and luminescence properties","CrystEngComm","2009","11","7","1462","","10.1039/b819559e","","","0.71073","MoKα","","0.0503","0.0374","","","0.1172","0.1228","","","","","","1.064","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200645","10.3976","0.0011","14.2349","0.0017","17.49","0.002","75.88","0.003","74.787","0.003","84.955","0.004","2421.7","0.5","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H25 Mg7.5 O40 -","- C40 H25 Mg7.5 O40 -","- C80 H50 Mg15 O80 -","2","1","","Liu, Hsin-Kuan; Tsao, Tai-Hsing; Zhang, Ya-Ting; Lin, Chia-Her","Microwave synthesis and single-crystal-to-single-crystal transformation of magnesium coordination polymers exhibiting selective gas adsorption and luminescence properties","CrystEngComm","2009","11","7","1462","","10.1039/b819559e","","","0.71073","MoKα","","0.2205","0.1443","","","0.3676","0.4162","","","","","","1.083","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7200646","5.9502","0.0002","7.4323","0.0002","8.9898","0.0003","104.787","0.002","106.197","0.002","97.59","0.002","360.18","0.02","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H14 Mg2 O14 -","- C10 H14 Mg2 O14 -","- C10 H14 Mg2 O14 -","1","0.5","","Liu, Hsin-Kuan; Tsao, Tai-Hsing; Zhang, Ya-Ting; Lin, Chia-Her","Microwave synthesis and single-crystal-to-single-crystal transformation of magnesium coordination polymers exhibiting selective gas adsorption and luminescence properties","CrystEngComm","2009","11","7","1462","","10.1039/b819559e","","","0.71073","MoKα","","0.0394","0.0332","","","0.1034","0.1068","","","","","","1.006","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200647","5.0655","0.0002","14.4318","0.0005","11.3303","0.0004","90","","99.255","0.002","90","","817.51","0.05","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H18 Mg2 O16 -","- C10 H18 Mg2 O16 -","- C20 H36 Mg4 O32 -","2","0.5","","Liu, Hsin-Kuan; Tsao, Tai-Hsing; Zhang, Ya-Ting; Lin, Chia-Her","Microwave synthesis and single-crystal-to-single-crystal transformation of magnesium coordination polymers exhibiting selective gas adsorption and luminescence properties","CrystEngComm","2009","11","7","1462","","10.1039/b819559e","","","0.71073","MoKα","","0.0795","0.0447","","","0.0979","0.1396","","","","","","0.98","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200648","11.382","0.003","11.755","0.002","12.48","0.003","90.289","0.016","107.61","0.02","105.634","0.019","1525.8","0.7","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H34 Cd2 Cl6 I4 N8 O8 -","- C54 H34 Cd2 Cl6 I4 N8 O8 -","- C54 H34 Cd2 Cl6 I4 N8 O8 -","1","0.5","","Deng, Hai-Ying; He, Jian-Rong; Pan, Mei; Li, Lei; Su, Cheng-Yong","Synergistic metal and anion effects on the formation of coordination assemblies from a N,N′-bis(3-pyridylmethyl)naphthalene diimide ligand","CrystEngComm","2009","11","5","909","","10.1039/b819608g","","","0.71073","MoKα","","0.0865","0.0501","","","0.1448","0.1774","","","","","","1.032","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200649","23.9714","0.0012","5.1891","0.0002","19.0506","0.0008","90","","106.86","0.003","90","","2267.85","0.18","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H16 Cl2 Hg N4 O4 -","- C26 H16 Cl2 Hg N4 O4 -","- C104 H64 Cl8 Hg4 N16 O16 -","4","0.5","","Deng, Hai-Ying; He, Jian-Rong; Pan, Mei; Li, Lei; Su, Cheng-Yong","Synergistic metal and anion effects on the formation of coordination assemblies from a N,N′-bis(3-pyridylmethyl)naphthalene diimide ligand","CrystEngComm","2009","11","5","909","","10.1039/b819608g","","","0.71073","MoKα","","0.1078","0.0972","","","0.2304","0.2393","","","","","","1.048","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200650","13.3355","0.0017","19.351","0.003","8.9028","0.0012","90","","102.693","0.003","90","","2241.3","0.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H32 N10 O8 S2 Zn -","- C54 H32 N10 O8 S2 Zn -","- C108 H64 N20 O16 S4 Zn2 -","2","0.5","","Deng, Hai-Ying; He, Jian-Rong; Pan, Mei; Li, Lei; Su, Cheng-Yong","Synergistic metal and anion effects on the formation of coordination assemblies from a N,N′-bis(3-pyridylmethyl)naphthalene diimide ligand","CrystEngComm","2009","11","5","909","","10.1039/b819608g","","","0.71073","MoKα","","0.074","0.0467","","","0.1324","0.1548","","","","","","1.041","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200651","9.1325","0.0012","9.181","0.0012","13.3784","0.0017","84.447","0.002","83.507","0.002","86.195","0.002","1107.5","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H32 Cd N10 O14 -","- C52 H32 Cd N10 O14 -","- C52 H32 Cd N10 O14 -","1","0.5","","Deng, Hai-Ying; He, Jian-Rong; Pan, Mei; Li, Lei; Su, Cheng-Yong","Synergistic metal and anion effects on the formation of coordination assemblies from a N,N′-bis(3-pyridylmethyl)naphthalene diimide ligand","CrystEngComm","2009","11","5","909","","10.1039/b819608g","","","0.71073","MoKα","","0.0457","0.0378","","","0.0999","0.1056","","","","","","1.087","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200652","17.462","","14.342","","15.258","","90","","99.41","","90","","3769.79","","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H30 Co N8 O13 -","- C41 H24 Co N8 O13 -","- C164 H96 Co4 N32 O52 -","4","1","","Deng, Hai-Ying; He, Jian-Rong; Pan, Mei; Li, Lei; Su, Cheng-Yong","Synergistic metal and anion effects on the formation of coordination assemblies from a N,N′-bis(3-pyridylmethyl)naphthalene diimide ligand","CrystEngComm","2009","11","5","909","","10.1039/b819608g","","","0.71073","MoKα","","0.1026","0.0631","","","0.1676","0.1961","","","","","","1.024","","","","has coordinates,has disorder","180337","2020-10-21","18:00:00",""
"7200653","8.1802","0.0009","21.293","0.002","15.2116","0.0014","90","","121.357","0.004","90","","2262.6","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N12 O4 Ru S -","- C18 H18 N12 O4 Ru S -","- C72 H72 N48 O16 Ru4 S4 -","4","1","","Yang, Li-Fei; Cao, Man-Li; Mo, Hao-Jun; Hao, Hong-Guo; Wu, Jin-Ji; Zhang, Jie-Peng; Ye, Bao-Hui","pH-Dependent formation of (6,3) and (10,3) hydrogen-bonded networks based on [Ru(H2biim)3]SO4: polymorphs and topological isomers","CrystEngComm","2009","11","6","1114","","10.1039/b819646j","","","0.71073","MoKα","","0.0463","0.0392","","","0.0969","0.1015","","","","","","1.017","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200654","12.6267","0.001","12.6267","0.001","14.244","0.002","90","","90","","90","","2271","0.4","293","2","293","2","","","","","","","","6","I 41","I 4bw","80","","","","- C18 H18 N12 O4 Ru S -","- C18 H18 N12 O4 Ru S -","- C72 H72 N48 O16 Ru4 S4 -","4","0.5","","Yang, Li-Fei; Cao, Man-Li; Mo, Hao-Jun; Hao, Hong-Guo; Wu, Jin-Ji; Zhang, Jie-Peng; Ye, Bao-Hui","pH-Dependent formation of (6,3) and (10,3) hydrogen-bonded networks based on [Ru(H2biim)3]SO4: polymorphs and topological isomers","CrystEngComm","2009","11","6","1114","","10.1039/b819646j","","","0.71073","MoKα","","0.0789","0.0782","","","0.2459","0.2472","","","","","","1.026","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200655","11.641","0.001","11.641","0.001","18.756","0.002","90","","90","","120","","2201.2","0.4","298","2","298","2","","","","","","","","5","P 64 2 2","P 64 2 (0 0 2)","181","tetraaquacobalt(II)-4,4'-bipyridine barbiturate hexahydrate","tetraaquacobalt(II)-4,4'-bipyridine barbiturate hexahydrate","","- C18 H34 Co N6 O16 -","- C18 H34 Co N6 O16 -","- C54 H102 Co3 N18 O48 -","3","0.25","","Garcia, Humberto C.; Diniz, Renata; Yoshida, Maria I.; de Oliveira, Luiz Fernando C.","An intriguing hydrogen bond arrangement of polymeric 1D chains of 4,4′-bipyridine coordinated to Co2+, Ni2+, Cu2+ and Zn2+ ions having barbiturate as counterions in a 3D network","CrystEngComm","2009","11","5","881","","10.1039/b819693a","","","0.71073","MoKα","","0.0468","0.0326","","","0.0714","0.0771","","","","","","1.112","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7200656","11.453","0.002","11.453","0.002","36.912","0.004","90","","90","","120","","4193.1","1.1","298","2","298","2","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","tetraaquanickel(II)-4,4'-bipyridine barbiturate hexahydrate","tetraaquanickel(II)-4,4'-bipyridine barbiturate hexahydrate","","- C18 H34 N6 Ni O16 -","- C18 H34 N6 Ni O16 -","- C108 H204 N36 Ni6 O96 -","6","0.5","","Garcia, Humberto C.; Diniz, Renata; Yoshida, Maria I.; de Oliveira, Luiz Fernando C.","An intriguing hydrogen bond arrangement of polymeric 1D chains of 4,4′-bipyridine coordinated to Co2+, Ni2+, Cu2+ and Zn2+ ions having barbiturate as counterions in a 3D network","CrystEngComm","2009","11","5","881","","10.1039/b819693a","","","0.71073","MoKα","","0.0773","0.0512","","","0.115","0.1284","","","","","","1.038","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7200657","11.467","0.002","11.467","0.002","36.974","0.003","90","","90","","120","","4210.4","1.1","298","2","298","2","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","tetraaquacopper(II)-4,4'-bipyridine barbiturate hexahydrate","tetraaquacopper(II)-4,4'-bipyridine barbiturate hexahydrate","","- C18 H34 Cu N6 O16 -","- C18 H34 Cu N6 O16 -","- C108 H204 Cu6 N36 O96 -","6","0.5","","Garcia, Humberto C.; Diniz, Renata; Yoshida, Maria I.; de Oliveira, Luiz Fernando C.","An intriguing hydrogen bond arrangement of polymeric 1D chains of 4,4′-bipyridine coordinated to Co2+, Ni2+, Cu2+ and Zn2+ ions having barbiturate as counterions in a 3D network","CrystEngComm","2009","11","5","881","","10.1039/b819693a","","","0.71073","MoKα","","0.0734","0.0532","","","0.1324","0.1448","","","","","","1.072","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7200658","16.6814","0.001","16.6814","0.001","17.4944","0.0015","90","","90","","90","","4868.2","0.6","120","2","120","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C48 H30 N4 O11 Zn3 -","- C48 H30 N4 O11 Zn3 -","- C96 H60 N8 O22 Zn6 -","2","0.0625","","Choi, Eun-Young; Wray, Curtis A.; Hu, Chunhua; Choe, Wonyoung","Highly tunable metal‒organic frameworks with open metal centers","CrystEngComm","2009","11","4","553","","10.1039/b819707p","","","0.71073","MoKα","","0.065","0.0629","","","0.1713","0.1743","","","","","","1.149","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7200659","16.694","0.001","16.694","0.001","18.5799","0.0015","90","","90","","90","","5178","0.6","296","2","296","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C48 H30 N4 O11 Zn3 -","- C52 H34 N4 O11 Zn3 -","- C104 H68 N8 O22 Zn6 -","2","0.0625","","Choi, Eun-Young; Wray, Curtis A.; Hu, Chunhua; Choe, Wonyoung","Highly tunable metal‒organic frameworks with open metal centers","CrystEngComm","2009","11","4","553","","10.1039/b819707p","","","0.71073","MoKα","","0.0647","0.0481","","","0.1283","0.1373","","","","","","1.036","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7200660","9.4617","0.0007","10.3642","0.0008","19.7932","0.0015","91.369","0.002","94.833","0.001","101.759","0.002","1891.8","0.2","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H24 O5 -","- C20 H24 O5 -","- C80 H96 O20 -","4","2","","Jeong, Kyung Seok; Lee, Bohyung; Kim, Jaheon; Jeong, Nakcheol","Guest-dependent self-assembly of (R,R)-2,3-diphenylsuccinic acids : formation of a cyclotetrameric chiral square","CrystEngComm","2009","11","4","549","","10.1039/b819756c","","","0.71073","MoKα","","0.1154","0.0608","","","0.1377","0.1638","","","","","","1.069","","","","has coordinates,has disorder","180337","2020-10-21","18:00:00",""
"7200661","9.1569","0.0007","10.3223","0.0009","11.04","0.0009","69.817","0.001","74.207","0.002","64.677","0.001","875.72","0.12","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H22 O5 -","- C20 H22 O5 -","- C40 H44 O10 -","2","1","","Jeong, Kyung Seok; Lee, Bohyung; Kim, Jaheon; Jeong, Nakcheol","Guest-dependent self-assembly of (R,R)-2,3-diphenylsuccinic acids : formation of a cyclotetrameric chiral square","CrystEngComm","2009","11","4","549","","10.1039/b819756c","","","0.71073","MoKα","","0.1637","0.0897","","","0.2391","0.32","","","","","","1.044","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200662","9.5545","0.0002","10.204","0.0002","36.9589","0.0007","90","","90","","90","","3603.28","0.12","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 O5 -","- C20 H22 O5 -","- C160 H176 O40 -","8","2","","Jeong, Kyung Seok; Lee, Bohyung; Kim, Jaheon; Jeong, Nakcheol","Guest-dependent self-assembly of (R,R)-2,3-diphenylsuccinic acids : formation of a cyclotetrameric chiral square","CrystEngComm","2009","11","4","549","","10.1039/b819756c","","","0.71073","MoKα","","0.0955","0.0578","","","0.1219","0.1459","","","","","","1.037","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200663","16.249","0.006","16.249","0.006","22.54","0.01","90","","90","","90","","5951","4","173","2","173","2","","","","","","","","3","P 41","P 4w","76","","","","- C68 H66 O17 -","- C68 H66 O17 -","- C272 H264 O68 -","4","1","","Jeong, Kyung Seok; Lee, Bohyung; Kim, Jaheon; Jeong, Nakcheol","Guest-dependent self-assembly of (R,R)-2,3-diphenylsuccinic acids : formation of a cyclotetrameric chiral square","CrystEngComm","2009","11","4","549","","10.1039/b819756c","","","0.71073","MoKα","","0.1952","0.1143","","","0.2863","0.3441","","","","","","1.068","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200664","16.389","0.0003","16.389","0.0003","11.3011","0.0003","90","","90","","90","","3035.47","0.11","298","2","298","2","","","","","","","","3","I 4","I 4","79","","","","- C68 H64 O17 -","- C68 H56 O17 -","- C136 H112 O34 -","2","0.25","","Jeong, Kyung Seok; Lee, Bohyung; Kim, Jaheon; Jeong, Nakcheol","Guest-dependent self-assembly of (R,R)-2,3-diphenylsuccinic acids : formation of a cyclotetrameric chiral square","CrystEngComm","2009","11","4","549","","10.1039/b819756c","","","0.71073","MoKα","","0.1193","0.0525","","","0.1363","0.1693","","","","","","0.983","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200665","9.8996","0.0002","20.2275","0.0003","13.481","0.0002","90","","110.247","0.001","90","","2532.69","0.08","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 N6 O6 Zn -","- C26 H20 N6 O6 Zn -","- C104 H80 N24 O24 Zn4 -","4","1","","Lin, Xiao-Ming; Fang, Hua-Cai; Zhou, Zheng-Yuan; Chen, Li; Zhao, Jing-Wei; Zhu, Shi-Zheng; Cai, Yue-Peng","Temperature- and solvent-controlled dimensionality in a zinc 6-(1H-benzoimidazol-2-yl)pyridinecarboxylate system","CrystEngComm","2009","11","5","847","","10.1039/b819800d","","","0.71073","MoKα","","0.0614","0.0471","","","0.133","0.1437","","","","","","1.076","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200666","10.5099","0.0001","7.3428","0.0001","20.1198","0.0003","90","","102.887","0.001","90","","1513.58","0.03","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N3 O6 Zn -","- C14 H13 N3 O6 Zn -","- C56 H52 N12 O24 Zn4 -","4","1","","Lin, Xiao-Ming; Fang, Hua-Cai; Zhou, Zheng-Yuan; Chen, Li; Zhao, Jing-Wei; Zhu, Shi-Zheng; Cai, Yue-Peng","Temperature- and solvent-controlled dimensionality in a zinc 6-(1H-benzoimidazol-2-yl)pyridinecarboxylate system","CrystEngComm","2009","11","5","847","","10.1039/b819800d","","","0.71073","MoKα","","0.0347","0.0303","","","0.0803","0.0831","","","","","","1.048","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200667","12.917","0.0008","7.3303","0.0005","20.6012","0.0013","90","","98.3","0.001","90","","1930.2","0.2","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 Cl N3 O8 S Zn -","- C15 H16 Cl N3 O8 S Zn -","- C60 H64 Cl4 N12 O32 S4 Zn4 -","4","1","","Lin, Xiao-Ming; Fang, Hua-Cai; Zhou, Zheng-Yuan; Chen, Li; Zhao, Jing-Wei; Zhu, Shi-Zheng; Cai, Yue-Peng","Temperature- and solvent-controlled dimensionality in a zinc 6-(1H-benzoimidazol-2-yl)pyridinecarboxylate system","CrystEngComm","2009","11","5","847","","10.1039/b819800d","","","0.71073","MoKα","","0.0529","0.0422","","","0.1127","0.1205","","","","","","1.044","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200668","3.9045","0.001","15.876","0.004","19.915","0.005","90","","100.596","0.006","90","","1213.4","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H32 Br8 Cu8 N8 -","- C40 H32 Br8 Cu8 N8 -","- C40 H32 Br8 Cu8 N8 -","1","0.25","","Liu, Zhi-Fang; Zhu, Ai-Xin; Lam, Chi-Keung; Xie, Guang-Wei; Liang, Chao-Lun; Chen, Xiao-Ming; Qiao, Zheng-Ping","Oriented growth of a single crystalline Cu(111) flake synthesized by pyrolysis of coordination polymer [(CuBr)2(bpy)]n (bpy = 2,2′-bipyridine)","CrystEngComm","2009","11","7","1303","","10.1039/b819813f","","","0.71073","MoKα","","0.0583","0.0371","","","0.1053","0.1289","","","","","","0.826","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200669","7.3916","0.0002","28.455","0.001","12.1415","0.0003","90","","93.905","0.002","90","","2547.77","0.13","223","","223","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H25 Br Cl3 N3 O4 -","- C21 H25 Br Cl3 N3 O4 -","- C84 H100 Br4 Cl12 N12 O16 -","4","1","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia","Phase-separated hydrogen-bonded chloride ion‒water‒oxonium ion sheets and protonated 4′-(4-bromophenyl)-2,2′:6′,2″-terpyridine stacks, and condensation products of 2-acetylpyridine and benzaldehydes revisited","CrystEngComm","2009","11","6","1014","","10.1039/b819927b","","","0.71073","MoKα","","0.064","0.0289","","0.0636","0.0311","0.0311","","","","","","1.0614","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200670","16.8561","0.0004","53.1999","0.0016","15.49","0.0005","90","","90","","90","","13890.5","0.7","223","","223","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C36 H28 Br2 Cl3 N3 O3 -","- C36 H28 Br2 Cl3 N3 O3 -","- C576 H448 Br32 Cl48 N48 O48 -","16","1","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia","Phase-separated hydrogen-bonded chloride ion‒water‒oxonium ion sheets and protonated 4′-(4-bromophenyl)-2,2′:6′,2″-terpyridine stacks, and condensation products of 2-acetylpyridine and benzaldehydes revisited","CrystEngComm","2009","11","6","1014","","10.1039/b819927b","","","0.71073","MoKα","","0.0428","0.0324","","0.0308","0.0278","0.0267","","","","","","1.0671","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7200671","9.8089","0.0004","11.1946","0.0004","14.5862","0.0006","71.544","0.002","88.809","0.002","80.093","0.002","1495.66","0.1","223","","223","","","","","","","","","4","P -1","-P 1","2","","","","- C37 H27 N5 O3 -","- C37 H27 N5 O3 -","- C74 H54 N10 O6 -","2","1","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia","Phase-separated hydrogen-bonded chloride ion‒water‒oxonium ion sheets and protonated 4′-(4-bromophenyl)-2,2′:6′,2″-terpyridine stacks, and condensation products of 2-acetylpyridine and benzaldehydes revisited","CrystEngComm","2009","11","6","1014","","10.1039/b819927b","","","0.71073","MoKα","","0.0597","0.0418","","0.069","0.0495","0.0495","","","","","","1.0914","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200672","5.768","0.001","6.078","0.001","8.08","0.002","90","","107.01","0.03","90","","270.88","0.1","296","2","296","2","1030000","50000","","","","","","3","P 1 21/n 1","-P 2yn","14","1,2-dibromo-1,1,2,2-tetrafluoroethane","1,2-dibromo-1,1,2,2-tetrafluoroethane","","- C2 Br2 F4 -","- C2 Br2 F4 -","- C4 Br4 F8 -","2","0.5","","Olejniczak, Anna; Katrusiak, Andrzej; Vij, Ashwani","Weak intermolecular interactions and molecular aggregation in isostructural dihaloperfluoroethanes,","CrystEngComm","2009","11","6","1073","","10.1039/b819942f","","","0.71073","MoKα","","0.0564","0.0495","","","0.1138","0.118","","","","","","1.139","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200673","6.1357","0.0012","6.1449","0.0012","8.3967","0.0017","90","","108.3","0.03","90","","300.57","0.12","296","2","296","2","600000","50000","","","","","","4","P 1 21/n 1","-P 2yn","14","1-bromo-2-iodo-1,1,2,2-tetrafluoroethane","1-bromo-2-iodo-1,1,2,2-tetrafluoroethane","","- C2 Br F4 I -","- C2 Br F4 I -","- C4 Br2 F8 I2 -","2","0.5","","Olejniczak, Anna; Katrusiak, Andrzej; Vij, Ashwani","Weak intermolecular interactions and molecular aggregation in isostructural dihaloperfluoroethanes,","CrystEngComm","2009","11","6","1073","","10.1039/b819942f","","","0.71073","MoKα","","0.124","0.1166","","","0.267","0.2734","","","","","","1.082","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200674","5.9698","0.0012","6.1503","0.0012","8.236","0.0016","90","","108.58","0.03","90","","286.63","0.11","296","2","296","2","1100000","50000","","","","","","4","P 1 21/n 1","-P 2yn","14","1-bromo-2-iodo-1,1,2,2-tetrafluoroethane","1-bromo-2-iodo-1,1,2,2-tetrafluoroethane","","- C2 Br F4 I -","- C2 Br F4 I -","- C4 Br2 F8 I2 -","2","0.5","","Olejniczak, Anna; Katrusiak, Andrzej; Vij, Ashwani","Weak intermolecular interactions and molecular aggregation in isostructural dihaloperfluoroethanes,","CrystEngComm","2009","11","6","1073","","10.1039/b819942f","","","0.71073","MoKα","","0.0722","0.0618","","","0.1153","0.1234","","","","","","1.192","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200675","5.7683","0.0012","6.0823","0.0012","8.0112","0.0016","90","","109.92","0.03","90","","264.25","0.11","296","2","296","2","3500000","50000","","","","","","4","P 1 21/n 1","-P 2yn","14","1-bromo-2-iodo-1,1,2,2-tetrafluoroethane","1-bromo-2-iodo-1,1,2,2-tetrafluoroethane","","- C2 Br F4 I -","- C2 Br F4 I -","- C4 Br2 F8 I2 -","2","0.5","","Olejniczak, Anna; Katrusiak, Andrzej; Vij, Ashwani","Weak intermolecular interactions and molecular aggregation in isostructural dihaloperfluoroethanes,","CrystEngComm","2009","11","6","1073","","10.1039/b819942f","","","0.71073","MoKα","","0.0692","0.0596","","","0.1762","0.1991","","","","","","1.171","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200676","6.563","0.002","6.293","0.004","8.935","0.006","90","","106.47","0.05","90","","353.9","0.4","296","2","296","2","160000","50000","","","","","","3","P 1 21/n 1","-P 2yn","14","1,2-diiodo-1,1,2,2-tetrafluoroethane","1,2-diiodo-1,1,2,2-tetrafluoroethane","","- C2 F4 I2 -","- C1.98 F3.96 I2 -","- C3.96 F7.92 I4 -","2","0.5","","Olejniczak, Anna; Katrusiak, Andrzej; Vij, Ashwani","Weak intermolecular interactions and molecular aggregation in isostructural dihaloperfluoroethanes,","CrystEngComm","2009","11","6","1073","","10.1039/b819942f","","","0.71073","MoKα","","0.0844","0.0569","","","0.1304","0.1446","","","","","","1.238","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200677","6.4133","0.0013","5.935","0.0012","8.4792","0.0017","90","","103.68","0.03","90","","313.59","0.12","296","2","296","2","860000","50000","","","","","","3","P 1 21/n 1","-P 2yn","14","1,2-diiodo-1,1,2,2-tetrafluoroethane","1,2-diiodo-1,1,2,2-tetrafluoroethane","","- C2 F4 I2 -","- C2 F4 I2 -","- C4 F8 I4 -","2","0.5","","Olejniczak, Anna; Katrusiak, Andrzej; Vij, Ashwani","Weak intermolecular interactions and molecular aggregation in isostructural dihaloperfluoroethanes,","CrystEngComm","2009","11","6","1073","","10.1039/b819942f","","","0.71073","MoKα","","0.1335","0.1302","","","0.3029","0.3107","","","","","","1.429","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200678","12.9207","0.0003","12.9207","0.0003","19.932","0.001","90","","90","","120","","2881.73","0.17","100","2","100","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C40 H40 Cl2 Cu N8 O6 -","- C40 H40 Cl2 Cu N8 O6 -","- C120 H120 Cl6 Cu3 N24 O18 -","3","0.5","","Banerjee, Subhabrata; Adarsh, N. N.; Dastidar, Parthasarathi","An unprecedented all helical 3D network and a rarely observed non-interpenetrated octahedral network in homochiral Cu(II) MOFs: effect of steric bulk and π‒π stacking interactions of the ligand backbone","CrystEngComm","2009","11","5","746","","10.1039/b820087b","","","0.71073","MoKα","","0.0403","0.0332","","","0.0787","0.0817","","","","","","1.042","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200679","13.266","0.004","13.266","0.004","5.3885","0.0017","90","","90","","90","","948.3","0.5","100","2","100","2","","","","","","","","6","P 4","P 4","75","","","","- C28 H28 Cl Cu N8 O4 -","- C28 H16 Cl Cu N8 O4 -","- C28 H16 Cl Cu N8 O4 -","1","0.25","","Banerjee, Subhabrata; Adarsh, N. N.; Dastidar, Parthasarathi","An unprecedented all helical 3D network and a rarely observed non-interpenetrated octahedral network in homochiral Cu(II) MOFs: effect of steric bulk and π‒π stacking interactions of the ligand backbone","CrystEngComm","2009","11","5","746","","10.1039/b820087b","","","0.71073","MoKα","","0.0896","0.0869","","","0.231","0.2339","","","","","","1.104","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200680","14.1105","0.0008","18.4033","0.001","21.9209","0.0013","90","","100.058","0.001","90","","5604.9","0.6","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C124 H324 Br12 Cl12 Cu16 N48 O70 -","- C124 H324 Br12 Cl12 Cu16 N48 O70 -","- C124 H324 Br12 Cl12 Cu16 N48 O70 -","1","0.25","","Zhou, Hong; Chen, Lei; Chen, Rong; Peng, Zheng-He; Song, You; Pan, Zhi-Quan; Huang, Qi-Mao; Hu, Xue-Lei; Bai, Zheng-Wu","Hexamine copper(II) coordination polymers: synthesis, structure and magnetic properties","CrystEngComm","2009","11","4","671","","10.1039/b820108k","","","0.71073","MoKα","","0.0872","0.0619","","","0.1234","0.1289","","","","","","1.052","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200681","11.1759","0.0007","8.5562","0.0005","23.4528","0.0014","90","","90","","90","","2242.6","0.2","291","2","291","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C22 H64 Cl8 Cu4 N12 O10 -","- C22 H64 Cl8 Cu4 N12 O10 -","- C44 H128 Cl16 Cu8 N24 O20 -","2","0.25","","Zhou, Hong; Chen, Lei; Chen, Rong; Peng, Zheng-He; Song, You; Pan, Zhi-Quan; Huang, Qi-Mao; Hu, Xue-Lei; Bai, Zheng-Wu","Hexamine copper(II) coordination polymers: synthesis, structure and magnetic properties","CrystEngComm","2009","11","4","671","","10.1039/b820108k","","","0.71073","MoKα","","0.0518","0.0423","","","0.1072","0.1104","","","","","","1.067","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7200682","6.8456","0.0006","12.0195","0.0011","14.695","0.0014","90","","98.473","0.002","90","","1195.92","0.19","292","2","292","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H16 Cl2 Cu N3 O4 -","- C6 H16 Cl2 Cu N3 O4 -","- C24 H64 Cl8 Cu4 N12 O16 -","4","1","","Zhou, Hong; Chen, Lei; Chen, Rong; Peng, Zheng-He; Song, You; Pan, Zhi-Quan; Huang, Qi-Mao; Hu, Xue-Lei; Bai, Zheng-Wu","Hexamine copper(II) coordination polymers: synthesis, structure and magnetic properties","CrystEngComm","2009","11","4","671","","10.1039/b820108k","","","0.71073","MoKα","","0.0405","0.0336","","","0.0843","0.0878","","","","","","1.081","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7200683","7.145","0.0014","13.486","0.003","14.077","0.003","90","","98.77","0.02","90","","1340.6","0.5","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H18 Cl2 Cu N3 O4 -","- C7 H18 Cl2 Cu N3 O4 -","- C28 H72 Cl8 Cu4 N12 O16 -","4","1","","Zhou, Hong; Chen, Lei; Chen, Rong; Peng, Zheng-He; Song, You; Pan, Zhi-Quan; Huang, Qi-Mao; Hu, Xue-Lei; Bai, Zheng-Wu","Hexamine copper(II) coordination polymers: synthesis, structure and magnetic properties","CrystEngComm","2009","11","4","671","","10.1039/b820108k","","","0.71073","MoKα","","0.09","0.0569","","","0.0943","0.0976","","","","","","1.086","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200691","6.491","0.002","9.599","0.003","19.397","0.006","90","","96.001","0.005","90","","1201.9","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Manganese Carboxylate","","","- C12 H10 Mn N2 O7 -","- C12 H10 Mn N2 O7 -","- C48 H40 Mn4 N8 O28 -","4","1","","Mahata, Partha; Natarajan, Srinivasan","The first observation of a Na2TiS2 related structure in a 2-D anionic manganese trimesate intercalated by cationic imidazole,","CrystEngComm","2009","11","4","560","","10.1039/b820248f","","","0.71073","MoKα","","0.0302","0.0274","","","0.0745","0.0763","","","","","","1.094","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200692","15.8892","0.0004","12.0225","0.0004","13.5325","0.0004","90","","90.711","0.002","90","","2584.89","0.13","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 B2 F8 N6 Se3 -","- C20 H18 B2 F8 N6 Se3 -","- C80 H72 B8 F32 N24 Se12 -","4","0.5","","Berionni, Guillaume; Pégot, Bruce; Marrot, Jérome; Goumont, Régis","Supramolecular association of 1,2,5-chalcogenadiazoles: an unexpected self-assembled dissymetric [Se⋯N]2 four-membered ring","CrystEngComm","2009","11","6","986","","10.1039/b820258c","","","0.71073","MoKα","","0.0655","0.0464","","","0.1501","0.1698","","","","","","1.05","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200693","21.7005","0.0009","22.9409","0.0009","24.4777","0.0009","90","","114.103","0.001","90","","11123.3","0.8","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- Dy4 Ge2 H84 Na12 O118 W20 -","- Dy4 Ge2 Na11.5 O105.75 W20 -","- Dy16 Ge8 Na46 O423 W80 -","4","1","","Li, YunGao; Xu, Lin; Gao, GuangGang; Jiang, Ning; Liu, Hong; Li, FengYan; Yang, YanYan","New fabrication of lanthanide complexes based on the polyoxometalate ligand of the [α(1,4)-GeW10O38]12− anion","CrystEngComm","2009","11","8","1512","","10.1039/b820269a","","","0.71073","MoKα","","0.0954","0.0524","","","0.1268","0.1568","","","","","","1.011","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200694","21.6734","0.0009","22.902","0.001","24.3891","0.0011","90","","114.226","0.001","90","","11039.8","0.8","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- Er4 Ge2 H70 Na12 O111 W20 -","- Er4 Ge2 Na12 O101 W20 -","- Er16 Ge8 Na48 O404 W80 -","4","1","","Li, YunGao; Xu, Lin; Gao, GuangGang; Jiang, Ning; Liu, Hong; Li, FengYan; Yang, YanYan","New fabrication of lanthanide complexes based on the polyoxometalate ligand of the [α(1,4)-GeW10O38]12− anion","CrystEngComm","2009","11","8","1512","","10.1039/b820269a","","","0.71073","MoKα","","0.0826","0.0482","","","0.1174","0.1338","","","","","","1.047","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200698","14.647","0.0004","29.317","0.0009","16.7807","0.0005","90","","102.287","0.001","90","","7040.7","0.4","298","2","298","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C48 H34 Cl2 Co2 Cu9 I11 N8 O -","- C48 H32 Cl2 Co2 Cu9 I11 N8 O -","- C192 H128 Cl8 Co8 Cu36 I44 N32 O4 -","4","1","","Li, Qiuyan; Fu, Yunlong","A layered iodocuprate based on a 3D cationic supramolecular network of dimeric Co(ii) complexes by offset face-to-face interactions","CrystEngComm","2009","11","8","1515","","10.1039/b820391a","","","0.71073","MoKα","","0.0911","0.0646","","","0.1862","0.2098","","","","","","1.011","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200699","7.9666","0.0016","4.8702","0.001","21.351","0.004","90","","90","","90","","828.4","0.3","180","0.1","295","2","","","100","","","","","4","P n a 21","P 2c -2n","33","chloroiodomethane","chloroiodomethane","","- C H2 Cl I -","- C H2 Cl I -","- C8 H16 Cl8 I8 -","8","2","","Podsiadło, Marcin; Katrusiak, Andrzej","Electrostatic matching in phase IV of chloroiodomethane: a new aggregation pattern in the isostructural classes of dihalomethanes","CrystEngComm","2009","11","7","1391","","10.1039/b820422e","","","0.71073","MoKα","","0.0597","0.0544","","","0.1431","0.153","","","","","","1.076","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200700","22.911","0.011","3.9313","0.0015","18.607","0.009","90","","119.067","0.01","90","","1464.9","1.2","293","2","293","2","","","","","","","Synthesis","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 N2 O4 -","- C16 H14 N2 O4 -","- C64 H56 N8 O16 -","4","0.5","","Avendaño, Carlos; Briceño, Alexander","Concomitant [2 + 2] cycloaddition solid state reactions from co-crystals self-assembled via mechanochemistry","CrystEngComm","2009","11","3","408","","10.1039/b820463b","","","0.71073","MoKα","","0.0888","0.0547","","","0.1326","0.1566","","","","","","1.012","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7200701","19.841","0.008","11.394","0.005","14.637","0.006","90","","93.423","0.013","90","","3303","2","293","2","293","2","","","","","","","Synthesis","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H18 N2 O5 -","- C17 H18 N2 O5 -","- C136 H144 N16 O40 -","8","1","","Avendaño, Carlos; Briceño, Alexander","Concomitant [2 + 2] cycloaddition solid state reactions from co-crystals self-assembled via mechanochemistry","CrystEngComm","2009","11","3","408","","10.1039/b820463b","","","0.71073","MoKα","","0.1225","0.0748","","","0.1954","0.2293","","","","","","1.068","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7200702","8.0814","0.0008","10.568","0.0008","28.972","0.003","90","","104.325","0.003","90","","2397.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H20 N O6 Zn -","- C27 H20 N O6 Zn -","- C108 H80 N4 O24 Zn4 -","4","1","","Cao, Xin-Yi; Yao, Yuan-Gen; Batten, Stuart R.; Ma, En; Qin, Ye-Yan; Zhang, Jian; Zhang, Rui-Bo; Cheng, Jian-Kai","Unusual parallel entanglement of metal‒organic 2D frameworks with coexistence of polyrotaxane, polycatenane and interdigitation","CrystEngComm","2009","11","6","1030","","10.1039/b820600g","","","0.71073","MoKα","","0.0724","0.0558","","","0.1175","0.1274","","","","","","1.048","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200703","13.027","0.004","14.108","0.004","15.051","0.005","71.014","0.014","72.299","0.013","71.348","0.015","2415.7","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H40 N2 O12 Zn2 -","- C54 H40 N2 O12 Zn2 -","- C108 H80 N4 O24 Zn4 -","2","1","","Cao, Xin-Yi; Yao, Yuan-Gen; Batten, Stuart R.; Ma, En; Qin, Ye-Yan; Zhang, Jian; Zhang, Rui-Bo; Cheng, Jian-Kai","Unusual parallel entanglement of metal‒organic 2D frameworks with coexistence of polyrotaxane, polycatenane and interdigitation","CrystEngComm","2009","11","6","1030","","10.1039/b820600g","","","0.71073","MoKα","","0.154","0.0759","","","0.1558","0.2025","","","","","","1.016","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200704","9.6482","0.0013","20.919","0.003","24.637","0.004","93.772","0.008","94.669","0.006","96.706","0.004","4907.8","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C114 H93 N4 O24 Zn4 -","- C114 H92 N4 O24 Zn4 -","- C228 H184 N8 O48 Zn8 -","2","1","","Cao, Xin-Yi; Yao, Yuan-Gen; Batten, Stuart R.; Ma, En; Qin, Ye-Yan; Zhang, Jian; Zhang, Rui-Bo; Cheng, Jian-Kai","Unusual parallel entanglement of metal‒organic 2D frameworks with coexistence of polyrotaxane, polycatenane and interdigitation","CrystEngComm","2009","11","6","1030","","10.1039/b820600g","","","0.71073","MoKα","","0.076","0.0549","","","0.1467","0.1738","","","","","","1.019","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200705","12.9497","0.0008","41.02","0.003","8.8874","0.0005","90","","90","","90","","4721","0.5","293","2","293","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C39 H48 Cl4 N12 O4 Zn2 -","- C39 H47 Cl4 N12 O4 Zn2 -","- C156 H188 Cl16 N48 O16 Zn8 -","4","","","Liang, Jianjun; Wu, Biao; Jia, Chuandong; Yang, Xiao-Juan","Metallomacrocycle or helix: Supramolecular isomerism in bis(pyridylurea) metal complexes","CrystEngComm","2009","11","6","975","","10.1039/b820640f","","","0.71073","MoKα","","0.0891","0.0475","","","0.0968","0.1129","","","","","","1.011","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200706","12.965","0.003","40.535","0.008","8.8052","0.0018","90","","90","","90","","4627.5","1.7","293","2","293","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C40 H50 Cl4 N12 O4 Zn2 -","- C40 H50 Cl4 N12 O4 Zn2 -","- C160 H200 Cl16 N48 O16 Zn8 -","4","","","Liang, Jianjun; Wu, Biao; Jia, Chuandong; Yang, Xiao-Juan","Metallomacrocycle or helix: Supramolecular isomerism in bis(pyridylurea) metal complexes","CrystEngComm","2009","11","6","975","","10.1039/b820640f","","","0.71073","MoKα","","0.1439","0.0525","","","0.1111","0.1485","","","","","","0.739","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200707","10.734","0.0011","14.3446","0.0011","13.728","0.0012","90","","104.839","0.002","90","","2043.3","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Cl2 N6 O2 Zn -","- C16 H20 Cl2 N6 O2 Zn -","- C64 H80 Cl8 N24 O8 Zn4 -","4","0.5","","Liang, Jianjun; Wu, Biao; Jia, Chuandong; Yang, Xiao-Juan","Metallomacrocycle or helix: Supramolecular isomerism in bis(pyridylurea) metal complexes","CrystEngComm","2009","11","6","975","","10.1039/b820640f","","","0.71073","MoKα","","0.0393","0.0301","","","0.0745","0.0782","","","","","","1.059","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200708","8.0552","0.0016","25.966","0.005","9.888","0.002","90","","107.59","0.03","90","","1971.5","0.8","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 N4 Ni O10 -","- C20 H14 N4 Ni O10 -","- C80 H56 N16 Ni4 O40 -","4","1","","Zhao, Li-Hua; Quan, Ying-Ping; Yang, Ai-Hong; Cui, Jian-Zhong; Gao, Hong-Ling; Lu, Fan-Li; Shi, Wei; Cheng, Peng","Syntheses and crystal structures of two new nickel(II) complexes with pyrazine-2,3,5,6-tetracarboxylate","CrystEngComm","2009","11","7","1427","","10.1039/b820663e","","","0.71073","MoKα","","0.0865","0.0614","","","0.1173","0.1292","","","","","","1.085","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200709","12.833","0.003","14.547","0.003","15.272","0.003","66.4","0.03","65.24","0.03","86.54","0.03","2352.6","1.3","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H47 N8 Ni O18.5 -","- C44 H40 N8 Ni O18.5 -","- C88 H80 N16 Ni2 O37 -","2","1","","Zhao, Li-Hua; Quan, Ying-Ping; Yang, Ai-Hong; Cui, Jian-Zhong; Gao, Hong-Ling; Lu, Fan-Li; Shi, Wei; Cheng, Peng","Syntheses and crystal structures of two new nickel(II) complexes with pyrazine-2,3,5,6-tetracarboxylate","CrystEngComm","2009","11","7","1427","","10.1039/b820663e","","","0.71073","MoKα","","0.0926","0.0663","","","0.167","0.1787","","","","","","1.01","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7200710","9.678","0.0012","11.9246","0.0016","22.738","0.003","90","","95.508","0.004","90","","2612","0.6","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 Cu N2 O12.5 Zn -","- C26 H20 Cu N2 O12.5 Zn -","- C104 H80 Cu4 N8 O50 Zn4 -","4","1","","Feller, Russell K.; Cheetham, Anthony K.","Structural and chemical complexity in multicomponent inorganic‒organic framework materials","CrystEngComm","2009","11","6","980","","10.1039/b820718f","","","0.71073","MoKα","","0.1284","0.0518","","","0.0998","0.1161","","","","","","0.812","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7200711","10.871","0.004","16.511","0.006","11.097","0.004","90","","114.311","0.009","90","","1815.2","1.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Cu2 N4 O16 Zn2 -","- C38 H28 Cu2 N4 O16 Zn2 -","- C76 H56 Cu4 N8 O32 Zn4 -","2","0.5","","Feller, Russell K.; Cheetham, Anthony K.","Structural and chemical complexity in multicomponent inorganic‒organic framework materials","CrystEngComm","2009","11","6","980","","10.1039/b820718f","","","0.71073","MoKα","","0.282","0.0689","","","0.1288","0.1747","","","","","","0.722","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200712","14.7793","0.001","12.1709","0.0008","17.6764","0.0012","90","","97.351","0.002","90","","3153.5","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 Cu2 N4 O10 Zn -","- C36 H24 Cu2 N4 O10 Zn -","- C144 H96 Cu8 N16 O40 Zn4 -","4","1","","Feller, Russell K.; Cheetham, Anthony K.","Structural and chemical complexity in multicomponent inorganic‒organic framework materials","CrystEngComm","2009","11","6","980","","10.1039/b820718f","","","0.71073","MoKα","","0.0816","0.0554","","","0.1159","0.1293","","","","","","1.072","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200714","7.936","0.0004","9.834","0.0005","10.916","0.0005","93.07","0.0012","106.78","0.0013","113.561","0.0013","733.66","0.06","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C36 H32 N4 O4 -","2","1","","Khan, Mujeeb; Enkelmann, Volker; Brunklaus, Gunther","Probing atomic level structural transformation in O‒H⋯N heterosynthon crystal","CrystEngComm","2009","11","6","1001","","10.1039/b820732a","","","0.71073","MoKα","","0.1338","0.0672","","0.0346","0.0214","0.0214","","","","","","1.1864","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200715","7.7682","0.0004","9.7938","0.0005","11.0478","0.0005","94.4493","0.0012","104.851","0.0013","111.495","0.0013","742.07","0.06","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C36 H32 N4 O4 -","2","1","","Khan, Mujeeb; Enkelmann, Volker; Brunklaus, Gunther","Probing atomic level structural transformation in O‒H⋯N heterosynthon crystal","CrystEngComm","2009","11","6","1001","","10.1039/b820732a","","","0.71073","MoKα","","0.0542","0.0528","","0.0574","0.0561","0.0561","","","","","","0.8852","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200716","7.1436","0.0006","9.8322","0.0007","15.3213","0.0013","91.708","0.01","100.589","0.01","111.088","0.009","981.55","0.16","200","","","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H24 Br2 N4 O4 -","- C16 H24 Br2 N4 O4 -","- C32 H48 Br4 N8 O8 -","2","1","","Verdan, Simon; Melich, Xavier; Bernardinelli, Gérald; Williams, Alan F.","Molecular bricklaying II. : Anion and chain length effects in bisbenzimidazolonium salts","CrystEngComm","2009","11","7","1416","","10.1039/b820737b","","","0.71073","MoKα","","","0.042","","","","0.041","","","","","","1.7","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200717","11.6585","0.0006","18.4728","0.0014","7.1778","0.0004","90","","99.243","0.006","90","","1525.78","0.17","200","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H40 I2 N4 O4 -","- C24 H40 I2 N4 O4 -","- C48 H80 I4 N8 O8 -","2","0.5","","Verdan, Simon; Melich, Xavier; Bernardinelli, Gérald; Williams, Alan F.","Molecular bricklaying II. : Anion and chain length effects in bisbenzimidazolonium salts","CrystEngComm","2009","11","7","1416","","10.1039/b820737b","","","0.71073","MoKα","","","0.03","","","","0.03","","","","","","1.32","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200718","7.2622","0.0005","8.5933","0.0006","17.3746","0.0013","91.974","0.009","98.439","0.009","106.408","0.008","1025.57","0.14","200","","","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H26 N4 O9 S -","- C16 H26 N4 O9 S -","- C32 H52 N8 O18 S2 -","2","1","","Verdan, Simon; Melich, Xavier; Bernardinelli, Gérald; Williams, Alan F.","Molecular bricklaying II. : Anion and chain length effects in bisbenzimidazolonium salts","CrystEngComm","2009","11","7","1416","","10.1039/b820737b","","","0.71073","MoKα","","","0.038","","","","0.038","","","","","","1.33","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200719","5.3122","0.0002","8.5766","0.0005","23.1952","0.0011","90","","91.98","0.006","90","","1056.16","0.09","200","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 Au2 N8 -","- C20 H16 Au2 N8 -","- C40 H32 Au4 N16 -","2","0.5","","Verdan, Simon; Melich, Xavier; Bernardinelli, Gérald; Williams, Alan F.","Molecular bricklaying II. : Anion and chain length effects in bisbenzimidazolonium salts","CrystEngComm","2009","11","7","1416","","10.1039/b820737b","","","0.71073","MoKα","","","0.03","","","","0.03","","","","","","1.44","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200720","7.0599","0.0011","8.7225","0.0014","8.8705","0.0015","68.766","0.018","78.791","0.019","69.544","0.018","475.61","0.15","200","","","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H24 Cl2 N4 O2 -","- C18 H24 Cl2 N4 O2 -","- C18 H24 Cl2 N4 O2 -","1","0.5","","Verdan, Simon; Melich, Xavier; Bernardinelli, Gérald; Williams, Alan F.","Molecular bricklaying II. : Anion and chain length effects in bisbenzimidazolonium salts","CrystEngComm","2009","11","7","1416","","10.1039/b820737b","","","0.71073","MoKα","","","0.032","","","","0.041","","","","","","1.25","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200721","11.1842","0.0005","14.3697","0.0009","17.6521","0.0008","90","","96.482","0.005","90","","2818.8","0.3","200","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 Cl4 Co N4 O2 -","- C22 H31 Cl4 Co N4 O2 -","- C88 H124 Cl16 Co4 N16 O8 -","4","1","","Verdan, Simon; Melich, Xavier; Bernardinelli, Gérald; Williams, Alan F.","Molecular bricklaying II. : Anion and chain length effects in bisbenzimidazolonium salts","CrystEngComm","2009","11","7","1416","","10.1039/b820737b","","","0.71073","MoKα","","","0.032","","","","0.033","","","","","","1.22","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200722","11.3088","0.0009","14.4566","0.0012","13.4445","0.0012","90","","109.661","0.009","90","","2069.9","0.3","200","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H26 Cl2 N4 O2 -","- C19 H26 Cl2 N4 O2 -","- C76 H104 Cl8 N16 O8 -","4","0.5","","Verdan, Simon; Melich, Xavier; Bernardinelli, Gérald; Williams, Alan F.","Molecular bricklaying II. : Anion and chain length effects in bisbenzimidazolonium salts","CrystEngComm","2009","11","7","1416","","10.1039/b820737b","","","0.71073","MoKα","","","0.029","","","","0.029","","","","","","1.07","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200723","6.9279","0.0004","17.4853","0.0012","16.1931","0.0011","90","","90","","90","","1961.6","0.2","200","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H24 Cl2 N4 -","- C20 H24 Cl2 N4 -","- C80 H96 Cl8 N16 -","4","0.5","","Verdan, Simon; Melich, Xavier; Bernardinelli, Gérald; Williams, Alan F.","Molecular bricklaying II. : Anion and chain length effects in bisbenzimidazolonium salts","CrystEngComm","2009","11","7","1416","","10.1039/b820737b","","","0.71073","MoKα","","","0.03","","","","0.029","","","","","","1.3","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200724","12.5425","0.001","12.2044","0.0007","13.7212","0.001","90","","106.133","0.009","90","","2017.6","0.3","200","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 N4 O5 S -","- C20 H26 N4 O5 S -","- C80 H104 N16 O20 S4 -","4","1","","Verdan, Simon; Melich, Xavier; Bernardinelli, Gérald; Williams, Alan F.","Molecular bricklaying II. : Anion and chain length effects in bisbenzimidazolonium salts","CrystEngComm","2009","11","7","1416","","10.1039/b820737b","","","0.71073","MoKα","","","0.036","","","","0.036","","","","","","1.24","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200725","9.2924","0.0008","10.5151","0.0006","14.2154","0.0013","90","","98.103","0.01","90","","1375.13","0.19","200","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H40 Cl2 N4 O3 -","- C25 H36 Cl2 N4 O3 -","- C50 H72 Cl4 N8 O6 -","2","0.5","","Verdan, Simon; Melich, Xavier; Bernardinelli, Gérald; Williams, Alan F.","Molecular bricklaying II. : Anion and chain length effects in bisbenzimidazolonium salts","CrystEngComm","2009","11","7","1416","","10.1039/b820737b","","","0.71073","MoKα","","","0.036","","","","0.036","","","","","","1.51","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200726","8.7775","0.0006","9.8459","0.0007","16.5945","0.0012","101.171","0.008","92.926","0.008","112.318","0.008","1289.24","0.19","200","","","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H30 Cl4 Co N4 O -","- C22 H30 Cl4 Co N4 O -","- C44 H60 Cl8 Co2 N8 O2 -","2","1","","Verdan, Simon; Melich, Xavier; Bernardinelli, Gérald; Williams, Alan F.","Molecular bricklaying II. : Anion and chain length effects in bisbenzimidazolonium salts","CrystEngComm","2009","11","7","1416","","10.1039/b820737b","","","0.71073","MoKα","","","0.027","","","","0.027","","","","","","1.3","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7200727","4.943","0.002","5.902","0.002","30.706","0.012","90","","90.88","0.01","90","","895.7","0.6","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H4 F4 O2 -","- C11 H4 F4 O2 -","- C44 H16 F16 O8 -","4","1","","Cozzi, Franco; Bacchi, Sergio; Filippini, Giuseppe; Pilati, Tullio; Gavezzotti, Angelo","Competition between hydrogen bonding and arene‒perfluoroarene stacking. X-Ray diffraction and molecular simulation on 5,6,7,8-tetrafluoro-2-naphthoic acid and 5,6,7,8-tetrafluoro-2-naphthamide crystals","CrystEngComm","2009","11","6","1122","","10.1039/b820791g","","","0.71073","MoKα","","0.0794","0.0432","","","0.0836","0.094","","","","","","0.82","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200728","5.053","0.002","5.884","0.002","31.085","0.012","90","","92.83","0.01","90","","923.1","0.6","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H4 F4 O2 -","- C11 H4 F4 O2 -","- C44 H16 F16 O8 -","4","1","","Cozzi, Franco; Bacchi, Sergio; Filippini, Giuseppe; Pilati, Tullio; Gavezzotti, Angelo","Competition between hydrogen bonding and arene‒perfluoroarene stacking. X-Ray diffraction and molecular simulation on 5,6,7,8-tetrafluoro-2-naphthoic acid and 5,6,7,8-tetrafluoro-2-naphthamide crystals","CrystEngComm","2009","11","6","1122","","10.1039/b820791g","","","0.71073","MoKα","","0.0616","0.0368","","","0.0914","0.1014","","","","","","0.946","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200729","4.9553","0.001","7.3353","0.0015","13.504","0.003","96.42","0.01","97.36","0.01","100.81","0.01","473.5","0.17","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H5 F4 N O -","- C11 H5 F4 N O -","- C22 H10 F8 N2 O2 -","2","1","","Cozzi, Franco; Bacchi, Sergio; Filippini, Giuseppe; Pilati, Tullio; Gavezzotti, Angelo","Competition between hydrogen bonding and arene‒perfluoroarene stacking. X-Ray diffraction and molecular simulation on 5,6,7,8-tetrafluoro-2-naphthoic acid and 5,6,7,8-tetrafluoro-2-naphthamide crystals","CrystEngComm","2009","11","6","1122","","10.1039/b820791g","","","0.71073","MoKα","","0.0561","0.0379","","","0.097","0.1093","","","","","","1.028","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200730","4.9386","0.0014","7.25","0.002","13.21","0.004","97.63","0.01","96.44","0.01","100.47","0.01","456.5","0.2","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H5 F4 N O -","- C11 H5 F4 N O -","- C22 H10 F8 N2 O2 -","2","1","","Cozzi, Franco; Bacchi, Sergio; Filippini, Giuseppe; Pilati, Tullio; Gavezzotti, Angelo","Competition between hydrogen bonding and arene‒perfluoroarene stacking. X-Ray diffraction and molecular simulation on 5,6,7,8-tetrafluoro-2-naphthoic acid and 5,6,7,8-tetrafluoro-2-naphthamide crystals","CrystEngComm","2009","11","6","1122","","10.1039/b820791g","","","0.71073","MoKα","","0.0722","0.0489","","","0.125","0.1422","","","","","","1.032","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200731","22.6828","0.001","7.4054","0.0006","10.1719","0.0008","90","","90","","90","","1708.6","0.2","123","2","123","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C24 H42 Cu3 N2 O23 -","- C24 H42 Cu3 N2 O23 -","- C48 H84 Cu6 N4 O46 -","2","0.5","","Abuhmaiera, Ramadan; Lan, Yanhua; Ako, Ayuk M.; Kostakis, George E.; Mavrandonakis, Andreas; Klopper, Wim; Clérac, Rodolphe; Anson, Christopher E.; Powell, Annie K.","One-dimensional Cu(II) coordination polymers: tuning the structure by modulating the “carboxylate arm” lengths of polycarboxylate ligands","CrystEngComm","2009","11","6","1089","","10.1039/b820834d","","","0.71073","MoKα","","0.0339","0.0315","","","0.0763","0.0778","","","","","","1.009","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200732","14.3062","0.0013","7.3389","0.0007","14.963","0.0014","90","","102.636","0.007","90","","1532.9","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H40 Cu N2 O18 -","- C26 H40 Cu N2 O18 -","- C52 H80 Cu2 N4 O36 -","2","0.5","","Abuhmaiera, Ramadan; Lan, Yanhua; Ako, Ayuk M.; Kostakis, George E.; Mavrandonakis, Andreas; Klopper, Wim; Clérac, Rodolphe; Anson, Christopher E.; Powell, Annie K.","One-dimensional Cu(II) coordination polymers: tuning the structure by modulating the “carboxylate arm” lengths of polycarboxylate ligands","CrystEngComm","2009","11","6","1089","","10.1039/b820834d","","","0.71073","MoKα","","0.0462","0.0409","","","0.1103","0.1136","","","","","","1.047","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200733","12.8207","0.0012","13.1305","0.0014","17.407","0.002","108.61","0.007","98.928","0.007","109.55","0.006","2501.9","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- Bi2 H62 Na5 O107 Pd4.5 W22 -","- Bi2 Na1.7 O104.6 Pd4.5 W22 -","- Bi2 Na1.7 O104.6 Pd4.5 W22 -","1","0.5","","Bi, Li-Hua; Dickman, Michael H.; Kortz, Ulrich","The palladium(II)-decorated 22-tungsto-2-bismuthate(III), [Pd3(H2O)9Bi2W22O76]8−","CrystEngComm","2009","11","6","965","","10.1039/b820888c","","","0.71073","MoKα","","0.0817","0.0491","","","0.1216","0.1409","","","","","","1.071","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7200734","8.999","0.005","8.614","0.005","22.506","0.013","90","","90","","90","","1744.6","1.7","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H7 Co O6 P -","- C7 H7 Co O6 P -","- C56 H56 Co8 O48 P8 -","8","1","","Li, Jin-Tang; Keene, Tony D.; Cao, Deng-Ke; Decurtins, Silvio; Zheng, Li-Min","[M(OOCC6H4PO3H)(H2O)] (M(II) = Mn, Co, Ni): layered metal phosphonates showing variable magnetic behavior","CrystEngComm","2009","11","7","1255","","10.1039/b820935a","","","0.71073","MoKα","","0.0716","0.059","","","0.1329","0.141","","","","","","1.056","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200735","9.19","0.002","8.684","0.002","22.67","0.006","90","","90","","90","","1809.2","0.7","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H7 Mn O6 P -","- C7 H7 Mn O6 P -","- C56 H56 Mn8 O48 P8 -","8","1","","Li, Jin-Tang; Keene, Tony D.; Cao, Deng-Ke; Decurtins, Silvio; Zheng, Li-Min","[M(OOCC6H4PO3H)(H2O)] (M(II) = Mn, Co, Ni): layered metal phosphonates showing variable magnetic behavior","CrystEngComm","2009","11","7","1255","","10.1039/b820935a","","","0.71073","MoKα","","0.0621","0.0404","","","0.0835","0.0895","","","","","","0.989","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200736","8.95","0.003","8.558","0.003","22.461","0.007","90","","90","","90","","1720.4","1","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H7 Ni O6 P -","- C7 H7 Ni O6 P -","- C56 H56 Ni8 O48 P8 -","8","1","","Li, Jin-Tang; Keene, Tony D.; Cao, Deng-Ke; Decurtins, Silvio; Zheng, Li-Min","[M(OOCC6H4PO3H)(H2O)] (M(II) = Mn, Co, Ni): layered metal phosphonates showing variable magnetic behavior","CrystEngComm","2009","11","7","1255","","10.1039/b820935a","","","0.71073","MoKα","","0.0531","0.0446","","","0.1198","0.1259","","","","","","1.016","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200737","10.346","0.001","8.119","0.001","17.883","0.002","90","","90","","90","","1502.2","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","2,6-diflourophenylthioamide","2,6-diflourophenylthioamide","","- C7 H5 F2 N S -","- C7 H5 F2 N S -","- C56 H40 F16 N8 S8 -","8","1","","Omondi, Bernard; Lemmerer, Andreas; Fernandes, Manuel A.; Levendis, Demetrius C.; Layh, Marcus","The influence of substitution and weak interactions on the crystal structures of a series of 2,6-disubstituted N-arylthioamides","CrystEngComm","2009","11","8","1658","","10.1039/b820944h","","","0.71073","MoKα","","0.0939","0.042","","","0.1012","0.1282","","","","","","1.03","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200738","7.873","0.002","15.643","0.004","7.991","0.002","90","","117.336","0.005","90","","874.2","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2,6-dichlorophenylthioamide","2,6-dichlorophenylthioamide","","- C7 H5 Cl2 N S -","- C7 H5 Cl2 N S -","- C28 H20 Cl8 N4 S4 -","4","1","","Omondi, Bernard; Lemmerer, Andreas; Fernandes, Manuel A.; Levendis, Demetrius C.; Layh, Marcus","The influence of substitution and weak interactions on the crystal structures of a series of 2,6-disubstituted N-arylthioamides","CrystEngComm","2009","11","8","1658","","10.1039/b820944h","","","0.71073","MoKα","","0.0501","0.0297","","","0.0666","0.0734","","","","","","1.004","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200739","7.9801","0.0005","8.0314","0.0005","14.5984","0.0009","90","","99.884","0.004","90","","921.74","0.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2,6-dibromophenylthioamide","2,6-dibromophenylthioamide","","- C7 H5 Br2 N S -","- C7 H5 Br2 N S -","- C28 H20 Br8 N4 S4 -","4","1","","Omondi, Bernard; Lemmerer, Andreas; Fernandes, Manuel A.; Levendis, Demetrius C.; Layh, Marcus","The influence of substitution and weak interactions on the crystal structures of a series of 2,6-disubstituted N-arylthioamides","CrystEngComm","2009","11","8","1658","","10.1039/b820944h","","","0.71073","MoKα","","0.0663","0.0458","","","0.1241","0.1334","","","","","","1.084","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200740","14.555","0.002","8.0597","0.0013","16.133","0.003","90","","101.422","0.004","90","","1855.1","0.5","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","2,6-dimethylphenylthioamide","2,6-dimethylphenylthioamide","","- C9 H11 N S -","- C9 H11 N S -","- C72 H88 N8 S8 -","8","1","","Omondi, Bernard; Lemmerer, Andreas; Fernandes, Manuel A.; Levendis, Demetrius C.; Layh, Marcus","The influence of substitution and weak interactions on the crystal structures of a series of 2,6-disubstituted N-arylthioamides","CrystEngComm","2009","11","8","1658","","10.1039/b820944h","","","0.71073","MoKα","","0.1057","0.0462","","","0.0989","0.1178","","","","","","0.981","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200741","14.367","0.001","8.022","0.001","16.068","0.001","90","","100.92","0.001","90","","1818.3","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","2-chloro-6-methylphenylthioamide","2-chloro-6-methylphenylthioamide","","- C8 H8 Cl N S -","- C8 H8 Cl N S -","- C64 H64 Cl8 N8 S8 -","8","1","","Omondi, Bernard; Lemmerer, Andreas; Fernandes, Manuel A.; Levendis, Demetrius C.; Layh, Marcus","The influence of substitution and weak interactions on the crystal structures of a series of 2,6-disubstituted N-arylthioamides","CrystEngComm","2009","11","8","1658","","10.1039/b820944h","","","0.71073","MoKα","","0.0586","0.0474","","","0.1262","0.1349","","","","","","1.043","","","","has coordinates,has disorder","180338","2020-10-21","18:00:00",""
"7200742","17.5429","0.0004","4.0659","0.0001","25.032","0.0005","90","","92.016","0.001","90","","1784.37","0.07","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Per2(Co(mnt)2)","Per2[Co(mnt)2]","","- C48 H24 Co N4 S4 -","- C48 H24 Co N4 S4 -","- C96 H48 Co2 N8 S8 -","2","0.5","","Almeida, Manuel; Gama, Vasco; Santos, Isabel C.; Graf, David; Brooks, James S.","Counterion dimerisation effects in the two-chain compound (Per)2[Co(mnt)2]: structure and anomalous pressure dependence of the electrical transport properties","CrystEngComm","2009","11","6","1103","","10.1039/b820995m","","","0.71073","MoKα","","0.0765","0.044","","","0.0799","0.0855","","","","","","0.822","","","","has coordinates,has disorder","180338","2020-10-21","18:00:00",""
"7200743","9.3968","0.0002","7.0725","0.0001","15.8292","0.0003","90","","94.377","0.001","90","","1048.92","0.03","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H5 Cl2 Cs O6 -","- C6 H5 Cl2 Cs O6 -","- C24 H20 Cl8 Cs4 O24 -","4","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka; Meden, Anton","π-Stacking of quinoid rings in crystals of alkali diaqua hydrogen chloranilates","CrystEngComm","2009","11","7","1407","","10.1039/b821011j","","x-ray","0.71073","MoKα","","","0.0235","","","","0.0568","","","","","","1.051","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200744","10.0492","0.0008","15.2833","0.0014","6.4546","0.0011","90","","99.156","0.009","90","","978.7","0.2","293","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H5 Cl2 K O6 -","- C6 H5 Cl2 K O6 -","- C24 H20 Cl8 K4 O24 -","4","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka; Meden, Anton","π-Stacking of quinoid rings in crystals of alkali diaqua hydrogen chloranilates","CrystEngComm","2009","11","7","1407","","10.1039/b821011j","","x-ray","1.54184","CuKα","","","0.0418","","","","0.1144","","","","","","1.067","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7200745","13.72","0.02","4.975","0.002","14.7","0.011","90","","90","","90","","1003.4","1.7","293","2","","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C8 H7 Cl2 Li O5 -","- C8 H7 Cl2 Li O5 -","- C32 H28 Cl8 Li4 O20 -","4","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka; Meden, Anton","π-Stacking of quinoid rings in crystals of alkali diaqua hydrogen chloranilates","CrystEngComm","2009","11","7","1407","","10.1039/b821011j","","x-ray","1.54184","CuKα","","","0.0432","","","","0.1336","","","","","","1.078","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200746","9.5958","0.0006","16.1908","0.0014","6.6678","0.0009","90","","98","0.009","90","","1025.85","0.18","293","2","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C6 H9 Cl2 N O6 -","- C6 H9 Cl2 N O6 -","- C24 H36 Cl8 N4 O24 -","4","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka; Meden, Anton","π-Stacking of quinoid rings in crystals of alkali diaqua hydrogen chloranilates","CrystEngComm","2009","11","7","1407","","10.1039/b821011j","","x-ray","1.54184","CuKα","","","0.0319","","","","0.0893","","","","","","1.051","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200747","10.8727","0.0001","12.9973","0.0001","13.3899","0.0002","67.094","0.001","66.528","0.001","74.359","0.001","1584","0.03","150","2","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C18 H21 Cl6 Na5 O22 -","- C18 H21 Cl6 Na5 O22 -","- C36 H42 Cl12 Na10 O44 -","2","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka; Meden, Anton","π-Stacking of quinoid rings in crystals of alkali diaqua hydrogen chloranilates","CrystEngComm","2009","11","7","1407","","10.1039/b821011j","","x-ray","0.71073","MoKα","","","0.0315","","","","0.0796","","","","","","1.034","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200748","9.134","0.005","6.923","0.005","15.844","0.005","90","","94.092","0.005","90","","999.3","1","293","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H5 Cl2 O6 Rb -","- C6 H5 Cl2 O6 Rb -","- C24 H20 Cl8 O24 Rb4 -","4","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka; Meden, Anton","π-Stacking of quinoid rings in crystals of alkali diaqua hydrogen chloranilates","CrystEngComm","2009","11","7","1407","","10.1039/b821011j","","x-ray","1.54184","CuKα","","","0.0502","","","","0.1361","","","","","","1.074","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200749","10.3457","0.0003","10.3457","0.0003","21.8653","0.0005","90","","90","","90","","2340.32","0.11","123","2","123","2","","","","","","","synthesis as described","5","P 43","P 4cw","78","","","","- C18 H18 I2 N6 O8 -","- C18 H18 I2 N6 O8 -","- C72 H72 I8 N24 O32 -","4","1","","Raatikainen, Kari; Rissanen, Kari","Hierarchical halogen bonding induces polymorphism","CrystEngComm","2009","11","5","750","","10.1039/b821085n","","x-ray","0.71073","MoKα","","0.0294","0.0258","","","0.0492","0.0505","","","","","","1.045","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200750","14.2543","0.0002","9.1438","0.0002","18.6546","0.0004","90","","106.168","0.001","90","","2335.25","0.08","123","2","123","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 I2 N6 O8 -","- C18 H18 I2 N6 O8 -","- C72 H72 I8 N24 O32 -","4","1","","Raatikainen, Kari; Rissanen, Kari","Hierarchical halogen bonding induces polymorphism","CrystEngComm","2009","11","5","750","","10.1039/b821085n","","x-ray","0.71073","MoKα","","0.0318","0.0278","","","0.0595","0.0613","","","","","","1.037","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200751","6.6185","0.001","11.5873","0.001","21.7075","0.002","90","","97.708","0.0007","90","","1649.7","0.3","123","2","123","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 I N4 O4 -","- C16 H11 I N4 O4 -","- C64 H44 I4 N16 O16 -","4","1","","Raatikainen, Kari; Rissanen, Kari","Hierarchical halogen bonding induces polymorphism","CrystEngComm","2009","11","5","750","","10.1039/b821085n","","x-ray","0.71073","MoKα","","0.0237","0.0201","","","0.0419","0.0434","","","","","","1.022","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200753","9.8675","0.0011","11.8984","0.0013","12.7498","0.0015","116.905","0.002","92.962","0.002","93.923","0.002","1326","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H30 Cd3 N8 O28 -","- C52 H30 Cd3 N8 O28 -","- C52 H30 Cd3 N8 O28 -","1","0.5","","Wang, Dong-E; Deng, Ke-Jian; Lv, Kang-Le; Wang, Cheng-Gang; Wen, Li-Li; Li, Dong-Feng","Structures, photoluminescence and photocatalytic properties of three new metal‒organic frameworks based on non-rigid long bridges","CrystEngComm","2009","11","7","1442","","10.1039/b821263e","","","0.71073","MoKα","","0.0664","0.0424","","","0.085","0.106","","","","","","1.031","","","","has coordinates,has disorder","180338","2020-10-21","18:00:00",""
"7200754","9.9484","0.0009","10.788","0.001","13.8678","0.0013","92.909","0.001","108.763","0.002","117.277","0.001","1217.3","0.2","299","2","299","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H19 Gd N3 O17 -","- C21 H19 Gd N3 O17 -","- C42 H38 Gd2 N6 O34 -","2","1","","Wang, Dong-E; Deng, Ke-Jian; Lv, Kang-Le; Wang, Cheng-Gang; Wen, Li-Li; Li, Dong-Feng","Structures, photoluminescence and photocatalytic properties of three new metal‒organic frameworks based on non-rigid long bridges","CrystEngComm","2009","11","7","1442","","10.1039/b821263e","","","0.71073","MoKα","","0.0388","0.0304","","","0.0637","0.0801","","","","","","1.148","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200755","9.7413","0.0009","13.2603","0.0013","18.4924","0.0018","90","","98.52","0.002","90","","2362.3","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 Mn N5 O6 -","- C26 H21 Mn N5 O6 -","- C104 H84 Mn4 N20 O24 -","4","1","","Wang, Dong-E; Deng, Ke-Jian; Lv, Kang-Le; Wang, Cheng-Gang; Wen, Li-Li; Li, Dong-Feng","Structures, photoluminescence and photocatalytic properties of three new metal‒organic frameworks based on non-rigid long bridges","CrystEngComm","2009","11","7","1442","","10.1039/b821263e","","","0.71073","MoKα","","0.0891","0.0556","","","0.1051","0.1186","","","","","","0.894","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200756","6.539","0.006","9.325","0.009","17.317","0.017","83.307","0.017","88.561","0.019","89.15","0.02","1048.3","1.7","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H33 N O7 -","- C20 H33 N O7 -","- C40 H66 N2 O14 -","2","1","","Duggirala, Naga Kiran; Kanniah, Sundara Lakshmi; Muppidi, Vamsee Krishna; Thaimattam, Ram; Devarakonda, Surya","Polytypism in desvenlafaxine succinate monohydrate","CrystEngComm","2009","11","6","989","","10.1039/b821274k","","","0.7107","MoKα","","0.1367","0.0672","","","0.1505","0.1925","","","","","","0.871","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200757","7.2141","0.0014","7.4923","0.0015","15.456","0.003","85.14","0.03","86.43","0.03","70.65","0.03","784.9","0.3","110","2","110","2","","","","","","","","5","P -1","-P 1","2","Form I of 1:1 cocrystal of ethenzamide and saccharin","Form I of 1:1 cocrystal of ethenzamide and saccharin","","- C16 H16 N2 O5 S -","- C16 H16 N2 O5 S -","- C32 H32 N4 O10 S2 -","2","1","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","Dimorphs of a 1 : 1 cocrystal of ethenzamide and saccharin: solid-state grinding methods result in metastable polymorph","CrystEngComm","2009","11","5","889","","10.1039/b821373a","","","0.71073","MoKα","","0.0392","0.0381","","","0.0935","0.0946","","","","","","1.05","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200758","8.6125","0.0017","16.607","0.003","11.183","0.002","90","","91.45","0.03","90","","1599","0.5","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Form II of 1:1 cocrystal of ethenzamide and saccharin","Form II of 1:1 cocrystal of ethenzamide and saccharin","","- C16 H16 N2 O5 S -","- C16 H16 N2 O5 S -","- C64 H64 N8 O20 S4 -","4","1","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","Dimorphs of a 1 : 1 cocrystal of ethenzamide and saccharin: solid-state grinding methods result in metastable polymorph","CrystEngComm","2009","11","5","889","","10.1039/b821373a","","","0.71073","MoKα","","0.0666","0.0595","","","0.1556","0.1662","","","","","","1.105","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200759","17.1338","0.0012","17.1338","0.0012","19.6083","0.0013","90","","90","","90","","5756.4","0.7","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C6 H10 Cu2 I N3 -","- C6 H10 Cu2 I N3 -","- C96 H160 Cu32 I16 N48 -","16","1","","Zhao, Zhen-Guo; Yu, Rong-Min; Wu, Xiao-Yuan; Zhang, Qi-Sheng; Xie, Yi-Ming; Wang, Fei; Ng, Seik Weng; Lu, Can-Zhong","One-pot synthesis of two new copper(i) coordination polymers: in situ formation of different ligands from 4-aminotriazole","CrystEngComm","2009","11","11","2494","","10.1039/b821491c","","","0.71073","MoKα","","0.0526","0.0434","","","0.125","0.1434","","","","","","1.097","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7200760","15.034","0.004","12.181","0.003","16.814","0.004","90","","102.133","0.003","90","","3010.4","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H15 Cu2 I2 N5 -","- C8 H15 Cu2 I2 N5 -","- C64 H120 Cu16 I16 N40 -","8","2","","Zhao, Zhen-Guo; Yu, Rong-Min; Wu, Xiao-Yuan; Zhang, Qi-Sheng; Xie, Yi-Ming; Wang, Fei; Ng, Seik Weng; Lu, Can-Zhong","One-pot synthesis of two new copper(i) coordination polymers: in situ formation of different ligands from 4-aminotriazole","CrystEngComm","2009","11","11","2494","","10.1039/b821491c","","","0.71073","MoKα","","0.0426","0.0358","","","0.087","0.0917","","","","","","1.06","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7200762","15.521","0.003","26.412","0.005","6.9655","0.0014","90","","90","","90","","2855.4","1","298","2","298","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C40 H72 Cl4 N8 O8 -","- C40 H72 Cl4 N8 O8 -","- C80 H144 Cl8 N16 O16 -","2","0.5","","Alfonso, Ignacio; Bolte, Michael; Bru, Miriam; Burguete, M. Isabel; Luis, Santiago V.","Crystal structures of the HCl salts of pseudopeptidic macrocycles display ""knobs into holes"" hydrophobic interactions between aliphatic side chains","CrystEngComm","2009","11","5","735","738","10.1039/b821772f","","","0.71073","MoKα","","0.2118","0.1004","","","0.2571","0.316","","","","","","1.024","","","","has coordinates,has disorder","218490","2020-10-21","18:00:00",""
"7200763","26.7","0.005","7.0199","0.0014","17.975","0.004","90","","115.95","0.03","90","","3029.4","1.3","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C44 H90 Cl4 N8 O11 -","- C44 H76 Cl4 N8 O11 -","- C88 H152 Cl8 N16 O22 -","2","0.5","","Alfonso, Ignacio; Bolte, Michael; Bru, Miriam; Burguete, M. Isabel; Luis, Santiago V.","Crystal structures of the HCl salts of pseudopeptidic macrocycles display ""knobs into holes"" hydrophobic interactions between aliphatic side chains","CrystEngComm","2009","11","5","735","738","10.1039/b821772f","","","0.71073","MoKα","","0.2044","0.1134","","","0.2563","0.3102","","","","","","0.961","","","","has coordinates","218490","2020-10-21","18:00:00",""
"7200764","26.413","0.005","7.1135","0.001","15.775","0.003","90","","96.299","0.016","90","","2946.1","0.9","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C44 H80 Cl4 N8 O6 -","- C44 H80 Cl4 N8 O6 -","- C88 H160 Cl8 N16 O12 -","2","0.5","","Alfonso, Ignacio; Bolte, Michael; Bru, Miriam; Burguete, M. Isabel; Luis, Santiago V.","Crystal structures of the HCl salts of pseudopeptidic macrocycles display ""knobs into holes"" hydrophobic interactions between aliphatic side chains","CrystEngComm","2009","11","5","735","738","10.1039/b821772f","","","0.71073","MoKα","","0.2316","0.142","","","0.3132","0.3527","","","","","","1.234","","","","has coordinates,has disorder","218490","2020-10-21","18:00:00",""
"7200765","12.278","0.001","12.33","0.001","31.945","0.004","90","","94.37","0.002","90","","4822","0.8","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","[Ni(terpyPh)2](PF6)2.4MeCN","","","- C50 H42 F12 N10 Ni P2 -","- C50 H42 F12 N10 Ni P2 -","- C200 H168 F48 N40 Ni4 P8 -","4","1","","McMurtrie, John; Dance, Ian","Crystal packing in metal complexes of 4′-phenylterpyridine and related ligands: occurrence of the 2D and 1D terpy embrace arrays","CrystEngComm","2009","11","6","1141","","10.1039/b821883h","","","0.71073","MoKα","","0.0485","0.0465","","","0.099","0.0999","","","","","","1.008","","","","has coordinates,has disorder","180338","2020-10-21","18:00:00",""
"7200766","12.465","0.002","12.546","0.002","32.51","0.004","90","","94.74","0.02","90","","5066.7","1.3","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","[Ru(terpyPh)2](PF6)2.4MeCN","","","- C50 H42 F12 N10 P2 Ru -","- C50 H42 F12 N10 P2 Ru -","- C200 H168 F48 N40 P8 Ru4 -","4","1","","McMurtrie, John; Dance, Ian","Crystal packing in metal complexes of 4′-phenylterpyridine and related ligands: occurrence of the 2D and 1D terpy embrace arrays","CrystEngComm","2009","11","6","1141","","10.1039/b821883h","","","0.71073","MoKα","","0.0533","0.052","","","0.1181","0.1186","","","","","","1.071","","","","has coordinates,has disorder","180338","2020-10-21","18:00:00",""
"7200767","8.7021","0.0017","34.037","0.006","9.6217","0.0018","90","","93.538","0.003","90","","2844.5","0.9","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","[Cu(terpyPh)2](PF6)2.4DMF","","","- C54 H58 Cu F12 N10 O4 P2 -","- C54 H58 Cu F12 N10 O4 P2 -","- C108 H116 Cu2 F24 N20 O8 P4 -","2","1","","McMurtrie, John; Dance, Ian","Crystal packing in metal complexes of 4′-phenylterpyridine and related ligands: occurrence of the 2D and 1D terpy embrace arrays","CrystEngComm","2009","11","6","1141","","10.1039/b821883h","","","0.71073","MoKα","","0.0529","0.0492","","","0.1034","0.1054","","","","","","1.038","","","","has coordinates,has disorder","180338","2020-10-21","18:00:00",""
"7200768","8.7907","0.001","9.0547","0.001","30.257","0.003","96.778","0.002","92.357","0.002","91.431","0.002","2388.4","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","[Fe(terpyPh)2](PF6)2.4DMF","","","- C48 H44 F12 Fe N8 O2 P2 -","- C48 H44 F12 Fe N8 O2 P2 -","- C96 H88 F24 Fe2 N16 O4 P4 -","2","1","","McMurtrie, John; Dance, Ian","Crystal packing in metal complexes of 4′-phenylterpyridine and related ligands: occurrence of the 2D and 1D terpy embrace arrays","CrystEngComm","2009","11","6","1141","","10.1039/b821883h","","","0.71073","MoKα","","0.07","0.0639","","","0.1313","0.1348","","","","","","1.066","","","","has coordinates,has disorder","180338","2020-10-21","18:00:00",""
"7200769","9.3232","0.0009","35.457","0.003","12.6761","0.0012","90","","91.987","0.002","90","","4187.9","0.7","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[Fe(terpyPh)2](PF6)2.MeCN.H2O","","","- C44 H35 F12 Fe N7 O P2 -","- C44 H33 F12 Fe N7 O P2 -","- C176 H132 F48 Fe4 N28 O4 P8 -","4","1","","McMurtrie, John; Dance, Ian","Crystal packing in metal complexes of 4′-phenylterpyridine and related ligands: occurrence of the 2D and 1D terpy embrace arrays","CrystEngComm","2009","11","6","1141","","10.1039/b821883h","","","0.71073","MoKα","","0.0941","0.0491","","","0.084","0.0993","","","","","","1.097","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200770","8.5125","0.0008","11.569","0.0008","25.143","0.002","90","","90","","90","","2476.1","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H10 O7 U -","- C10 H10 O7 U -","- C80 H80 O56 U8 -","8","1","","Thuéry, Pierre","Uranyl‒organic bilayer assemblies with flexible aromatic di-, tri- and tetracarboxylic acids","CrystEngComm","2009","11","6","1081","","10.1039/b821895a","","","0.71073","MoKα","","0.0762","0.055","","","0.1324","0.1417","","","","","","1.062","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200771","17.1976","0.0013","14.4008","0.001","17.444","0.001","90","","115.938","0.004","90","","3885","0.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H38 O28 U3 -","- C24 H38 O28 U3 -","- C96 H152 O112 U12 -","4","0.5","","Thuéry, Pierre","Uranyl‒organic bilayer assemblies with flexible aromatic di-, tri- and tetracarboxylic acids","CrystEngComm","2009","11","6","1081","","10.1039/b821895a","","","0.71073","MoKα","","0.0409","0.0296","","","0.0646","0.0674","","","","","","0.99","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200772","9.7509","0.0007","14.4507","0.0013","16.4698","0.0009","80.919","0.004","87.734","0.003","84.375","0.004","2279.9","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H22 O28 U3 -","- C34 H16 O28 U3 -","- C68 H32 O56 U6 -","2","1","","Thuéry, Pierre","Uranyl‒organic bilayer assemblies with flexible aromatic di-, tri- and tetracarboxylic acids","CrystEngComm","2009","11","6","1081","","10.1039/b821895a","","","0.71073","MoKα","","0.0847","0.0633","","","0.1483","0.1576","","","","","","1.076","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200773","11.6222","0.0008","13.9067","0.0009","10.3985","0.0007","90","","102.513","0.001","90","","1640.75","0.19","300","","300","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","(Z)-2-(9-anthrylmethylene)-1-indanone","","- C24 H16 O -","- C24 H16 O -","- C96 H64 O4 -","4","1","","Harada, Jun; Harakawa, Mayuko; Sugiyama, Shingo; Ogawa, Keiichiro","Single crystal cis‒trans photoisomerizations of 2-(9-anthrylmethylene)-1-indanones","CrystEngComm","2009","11","7","1235","","10.1039/b821900a","","","0.71073","MoKα","","0.065","0.0461","","","0.1213","0.139","","","","","","1.01","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200774","11.6186","0.0009","13.9166","0.0011","10.419","0.0008","90","","102.484","0.002","90","","1644.8","0.2","300","","300","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","(Z)-2-(9-anthrylmethylene)-1-indanone","","- C24 H16 O -","- C24 H16 O -","- C96 H64 O4 -","4","1","","Harada, Jun; Harakawa, Mayuko; Sugiyama, Shingo; Ogawa, Keiichiro","Single crystal cis‒trans photoisomerizations of 2-(9-anthrylmethylene)-1-indanones","CrystEngComm","2009","11","7","1235","","10.1039/b821900a","","","0.71073","MoKα","","0.0705","0.0491","","","0.1307","0.148","","","","","","1.031","","","","has coordinates,has disorder","180338","2020-10-21","18:00:00",""
"7200775","11.6272","0.0008","13.9254","0.001","10.4577","0.0008","90","","102.408","0.001","90","","1653.7","0.2","300","","300","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","(Z)-2-(9-anthrylmethylene)-1-indanone","","- C24 H16 O -","- C24 H16 O -","- C96 H64 O4 -","4","1","","Harada, Jun; Harakawa, Mayuko; Sugiyama, Shingo; Ogawa, Keiichiro","Single crystal cis‒trans photoisomerizations of 2-(9-anthrylmethylene)-1-indanones","CrystEngComm","2009","11","7","1235","","10.1039/b821900a","","","0.71073","MoKα","","0.0794","0.053","","","0.14","0.1601","","","","","","1.033","","","","has coordinates,has disorder","180338","2020-10-21","18:00:00",""
"7200776","11.6561","0.0008","13.9147","0.001","10.5076","0.0008","90","","102.099","0.001","90","","1666.4","0.2","300","","300","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","(Z)-2-(9-anthrylmethylene)-1-indanone","","- C24 H16 O -","- C24 H16 O -","- C96 H64 O4 -","4","1","","Harada, Jun; Harakawa, Mayuko; Sugiyama, Shingo; Ogawa, Keiichiro","Single crystal cis‒trans photoisomerizations of 2-(9-anthrylmethylene)-1-indanones","CrystEngComm","2009","11","7","1235","","10.1039/b821900a","","","0.71073","MoKα","","0.1008","0.0602","","","0.156","0.184","","","","","","1.032","","","","has coordinates,has disorder","180338","2020-10-21","18:00:00",""
"7200777","11.7174","0.001","13.8685","0.0012","10.5133","0.0009","90","","101.625","0.002","90","","1673.4","0.2","300","","300","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","(Z)-2-(9-anthrylmethylene)-1-indanone","","- C24 H16 O -","- C24 H16 O -","- C96 H64 O4 -","4","1","","Harada, Jun; Harakawa, Mayuko; Sugiyama, Shingo; Ogawa, Keiichiro","Single crystal cis‒trans photoisomerizations of 2-(9-anthrylmethylene)-1-indanones","CrystEngComm","2009","11","7","1235","","10.1039/b821900a","","","0.71073","MoKα","","0.1239","0.0667","","","0.156","0.1897","","","","","","1.027","","","","has coordinates,has disorder","180338","2020-10-21","18:00:00",""
"7200778","11.8493","0.0009","13.8243","0.0011","10.4921","0.0008","90","","101.018","0.002","90","","1687","0.2","300","","300","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","(Z)-2-(9-anthrylmethylene)-1-indanone","","- C24 H16 O -","- C24 H16 O -","- C96 H64 O4 -","4","1","","Harada, Jun; Harakawa, Mayuko; Sugiyama, Shingo; Ogawa, Keiichiro","Single crystal cis‒trans photoisomerizations of 2-(9-anthrylmethylene)-1-indanones","CrystEngComm","2009","11","7","1235","","10.1039/b821900a","","","0.71073","MoKα","","0.1488","0.0664","","","0.1443","0.1821","","","","","","1.026","","","","has coordinates,has disorder","180338","2020-10-21","18:00:00",""
"7200779","11.8957","0.0011","13.8099","0.0013","10.4687","0.001","90","","100.865","0.002","90","","1689","0.3","300","","300","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","(Z)-2-(9-anthrylmethylene)-1-indanone","","- C24 H16 O -","- C24 H16 O -","- C96 H64 O4 -","4","1","","Harada, Jun; Harakawa, Mayuko; Sugiyama, Shingo; Ogawa, Keiichiro","Single crystal cis‒trans photoisomerizations of 2-(9-anthrylmethylene)-1-indanones","CrystEngComm","2009","11","7","1235","","10.1039/b821900a","","","0.71073","MoKα","","0.1246","0.0497","","","0.1067","0.1408","","","","","","0.995","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200780","18.769","0.002","10.7865","0.0012","18.524","0.002","90","","108.689","0.002","90","","3552.5","0.7","300","","300","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","(E)-2-(9-anthrylmethylene)-6-methyl-1-indanone","","- C25 H18 O -","- C25 H18 O -","- C200 H144 O8 -","8","1","","Harada, Jun; Harakawa, Mayuko; Sugiyama, Shingo; Ogawa, Keiichiro","Single crystal cis‒trans photoisomerizations of 2-(9-anthrylmethylene)-1-indanones","CrystEngComm","2009","11","7","1235","","10.1039/b821900a","","","0.71073","MoKα","","0.0736","0.0494","","","0.1231","0.1426","","","","","","1.042","","","","has coordinates,has disorder","180338","2020-10-21","18:00:00",""
"7200781","18.7933","0.0011","10.8304","0.0007","18.5389","0.0011","90","","108.858","0.001","90","","3570.8","0.4","300","","300","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","(E)-2-(9-anthrylmethylene)-6-methyl-1-indanone","","- C25 H18 O -","- C25 H18 O -","- C200 H144 O8 -","8","1","","Harada, Jun; Harakawa, Mayuko; Sugiyama, Shingo; Ogawa, Keiichiro","Single crystal cis‒trans photoisomerizations of 2-(9-anthrylmethylene)-1-indanones","CrystEngComm","2009","11","7","1235","","10.1039/b821900a","","","0.71073","MoKα","","0.0873","0.0545","","","0.1317","0.1548","","","","","","1.031","","","","has coordinates,has disorder","180338","2020-10-21","18:00:00",""
"7200782","18.6929","0.0013","10.7386","0.0008","18.4052","0.0013","90","","109.093","0.001","90","","3491.3","0.4","90","","90","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","(E)-2-(9-anthrylmethylene)-6-methyl-1-indanone","","- C25 H18 O -","- C25 H18 O -","- C200 H144 O8 -","8","1","","Harada, Jun; Harakawa, Mayuko; Sugiyama, Shingo; Ogawa, Keiichiro","Single crystal cis‒trans photoisomerizations of 2-(9-anthrylmethylene)-1-indanones","CrystEngComm","2009","11","7","1235","","10.1039/b821900a","","","0.71073","MoKα","","0.0597","0.049","","","0.1304","0.1414","","","","","","1.038","","","","has coordinates,has disorder","180338","2020-10-21","18:00:00",""
"7200783","14.6663","0.0007","8.6866","0.0004","25.9906","0.0012","90","","90","","90","","3311.2","0.3","300","","300","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(E)-2-(9-anthrylmethylene)-1-indanone","","- C24 H16 O -","- C24 H16 O -","- C192 H128 O8 -","8","1","","Harada, Jun; Harakawa, Mayuko; Sugiyama, Shingo; Ogawa, Keiichiro","Single crystal cis‒trans photoisomerizations of 2-(9-anthrylmethylene)-1-indanones","CrystEngComm","2009","11","7","1235","","10.1039/b821900a","","","0.71073","MoKα","","0.0966","0.0521","","","0.11","0.1339","","","","","","1.068","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200784","10.8998","0.0005","11.4338","0.0004","17.9406","0.0005","90","","92.393","0.005","90","","2233.92","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C104 H96 N16 O8 -","8","2","","Bacchi, Alessia; Carcelli, Mauro; Chiodo, Tiziana; Cantoni, Giulia; De Filippo, Cecilia; Pipolo, Silvio","A discussion on the solid state organization of 4-pyridyl imino compounds and on the co-crystallization between their molecular precursors","CrystEngComm","2009","11","7","1433","","10.1039/b821909e","","","1.54184","CuKα","","0.0478","0.0422","","","0.1213","0.1261","","","","","","1.062","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200785","7.7618","0.0006","22.981","0.003","5.6539","0.0003","90","","90","","90","","1008.51","0.16","293","2","293","2","","","","","","","","4","P 21 a b","P -2b 2a","29","","","","- C12 H10 N2 O -","- C12 H10 N2 O -","- C48 H40 N8 O4 -","4","1","","Bacchi, Alessia; Carcelli, Mauro; Chiodo, Tiziana; Cantoni, Giulia; De Filippo, Cecilia; Pipolo, Silvio","A discussion on the solid state organization of 4-pyridyl imino compounds and on the co-crystallization between their molecular precursors","CrystEngComm","2009","11","7","1433","","10.1039/b821909e","","","1.54178","CuKα","","0.0617","0.043","","","0.0991","0.1097","","","","","","0.958","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200786","6.452","0.005","18.073","0.013","16.549","0.011","90","","109.52","0.03","90","","1819","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 N2 O -","- C24 H18 N2 O -","- C96 H72 N8 O4 -","4","1","","Bacchi, Alessia; Carcelli, Mauro; Chiodo, Tiziana; Cantoni, Giulia; De Filippo, Cecilia; Pipolo, Silvio","A discussion on the solid state organization of 4-pyridyl imino compounds and on the co-crystallization between their molecular precursors","CrystEngComm","2009","11","7","1433","","10.1039/b821909e","","","0.71073","MoKα","","0.0698","0.0581","","","0.1551","0.1648","","","","","","1.091","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200787","11.737","0.002","7.473","0.002","13.759","0.003","90","","113.814","0.004","90","","1104.1","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Bacchi, Alessia; Carcelli, Mauro; Chiodo, Tiziana; Cantoni, Giulia; De Filippo, Cecilia; Pipolo, Silvio","A discussion on the solid state organization of 4-pyridyl imino compounds and on the co-crystallization between their molecular precursors","CrystEngComm","2009","11","7","1433","","10.1039/b821909e","","","0.71073","MoKα","","0.0684","0.0558","","","0.137","0.1477","","","","","","1.076","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200788","10.913","0.004","8.774","0.003","14","0.005","90","","99.55","0.02","90","","1321.9","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 N2 O2 -","- C14 H16 N2 O2 -","- C56 H64 N8 O8 -","4","1","","Bacchi, Alessia; Carcelli, Mauro; Chiodo, Tiziana; Cantoni, Giulia; De Filippo, Cecilia; Pipolo, Silvio","A discussion on the solid state organization of 4-pyridyl imino compounds and on the co-crystallization between their molecular precursors","CrystEngComm","2009","11","7","1433","","10.1039/b821909e","","","0.71073","MoKα","","0.0836","0.0493","","","0.1276","0.1446","","","","","","1.02","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200789","11.3071","0.0014","17.413","0.002","7.2568","0.0009","90","","101.005","0.002","90","","1402.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N O -","- C18 H15 N O -","- C72 H60 N4 O4 -","4","1","","Bacchi, Alessia; Carcelli, Mauro; Chiodo, Tiziana; Cantoni, Giulia; De Filippo, Cecilia; Pipolo, Silvio","A discussion on the solid state organization of 4-pyridyl imino compounds and on the co-crystallization between their molecular precursors","CrystEngComm","2009","11","7","1433","","10.1039/b821909e","","","0.71073","MoKα","","0.0524","0.0373","","","0.0994","0.1077","","","","","","1.039","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200790","15.0879","0.0007","7.4306","0.0003","5.7751","0.0001","90","","90","","90","","647.46","0.04","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C7 H9 N O -","- C7 H9 N O -","- C28 H36 N4 O4 -","4","1","","Bacchi, Alessia; Carcelli, Mauro; Chiodo, Tiziana; Cantoni, Giulia; De Filippo, Cecilia; Pipolo, Silvio","A discussion on the solid state organization of 4-pyridyl imino compounds and on the co-crystallization between their molecular precursors","CrystEngComm","2009","11","7","1433","","10.1039/b821909e","","","1.54184","CuKα","","0.0458","0.0433","","","0.1261","0.1287","","","","","","1.075","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200791","5.8933","0.0007","7.9383","0.0009","11.0988","0.0013","88.11","0.001","84.546","0.001","89.836","0.001","516.6","0.1","100","","100","","","","","","","","","4","P -1","-P 1","2","4,4'-bis(pentafluorophenylethnyl)-2,2'-bipyridine","4,4'-bis(pentafluorophenylethnyl)-2,2'-bipyridine","","- C26 H6 F10 N2 -","- C26 H6 F10 N2 -","- C26 H6 F10 N2 -","1","0.5","","Hori, Akiko; Takatani, Shohei; Miyamoto, Takeshi K.; Hasegawa, Miki","Luminescence from π‒π stacked bipyridines through arene‒perfluoroarene interactions","CrystEngComm","2009","11","4","567","","10.1039/b822007g","","","0.71073","MoKα","","0.043","0.0351","","","0.0944","0.1004","","","","","","1.067","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200792","7.463","0.002","15.2","0.005","18.46","0.006","95.369","0.004","90.52","0.004","92.737","0.004","2082.3","1.1","100","","100","","","","","","","","","4","P -1","-P 1","2","4,4'-diphenylethnyl-2,2'-bipyridine, 4,4'- bis(pentafluorophenylethnyl)-2,2'-bipyridine, benzene","4,4'-diphenylethnyl-2,2'-bipyridine, 4,4'-bis(pentafluorophenylethnyl)-2,2'-bipyridine, benzene","","- C55 H25 F10 N4 -","- C55 H25 F10 N4 -","- C110 H50 F20 N8 -","2","1","","Hori, Akiko; Takatani, Shohei; Miyamoto, Takeshi K.; Hasegawa, Miki","Luminescence from π‒π stacked bipyridines through arene‒perfluoroarene interactions","CrystEngComm","2009","11","4","567","","10.1039/b822007g","","","0.71073","MoKα","","0.0999","0.0494","","","0.1115","0.1435","","","","","","0.989","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200793","10.7927","0.0012","11.3308","0.0013","10.4449","0.0012","90","","107.464","0.001","90","","1218.4","0.2","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4,4'-diphenylethnyl-2,2'-bipyridine, hexafluorobenzene","4,4'-diphenylethnyl-2,2'-bipyridine, hexafluorobenzene","","- C32 H16 F6 N2 -","- C32 H16 F6 N2 -","- C64 H32 F12 N4 -","2","0.5","","Hori, Akiko; Takatani, Shohei; Miyamoto, Takeshi K.; Hasegawa, Miki","Luminescence from π‒π stacked bipyridines through arene‒perfluoroarene interactions","CrystEngComm","2009","11","4","567","","10.1039/b822007g","","","0.71073","MoKα","","0.0513","0.0367","","","0.0965","0.1155","","","","","","1.092","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200794","5.9951","0.0012","6.5877","0.0013","15.83","0.003","86.69","0.03","83.08","0.03","76.01","0.03","602","0.2","120","2","120","2","","","","","","","","4","P 1","P 1","1","","Bis(S-N-(1-phenylethyl)-2,5-dihdyropyrrolo)tetrathiafulvalene","","- C26 H26 N2 S4 -","- C26 H26 N2 S4 -","- C26 H26 N2 S4 -","1","1","","Yang, Songjie; Brooks, Andrew C.; Martin, Lee; Day, Peter; Li, Hongchao; Horton, Peter; Male, Louise; Wallis, John D.","Novel enantiopure bis(pyrrolo)tetrathiafulvalene donors exhibiting chiral crystal packing arrangements","CrystEngComm","2009","11","6","993","","10.1039/b822009n","","","0.71073","MoKα","","0.0467","0.044","","","0.123","0.125","","","","","","1.302","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200795","7.4847","0.0004","7.4847","0.0004","42.565","0.003","90","","90","","90","","2384.5","0.2","120","2","120","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","Bis(S-N-(1-phenylethyl)pyrrolo)tetrathiafulvalene","","- C26 H22 N2 S4 -","- C26 H22 N2 S4 -","- C104 H88 N8 S16 -","4","0.5","","Yang, Songjie; Brooks, Andrew C.; Martin, Lee; Day, Peter; Li, Hongchao; Horton, Peter; Male, Louise; Wallis, John D.","Novel enantiopure bis(pyrrolo)tetrathiafulvalene donors exhibiting chiral crystal packing arrangements","CrystEngComm","2009","11","6","993","","10.1039/b822009n","","","0.71073","MoKα","","0.1479","0.0893","","","0.1303","0.1486","","","","","","1.149","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200796","12.705","0.003","6.1713","0.0012","19.492","0.004","90","","108.72","0.03","90","","1447.4","0.6","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Bis(R-N-(1-naphthyl)ethyl-2,5-dihydropyrrolo)tetrathiafulvalene","","- C34 H30 N2 S4 -","- C34 H30 N2 S4 -","- C68 H60 N4 S8 -","2","1","","Yang, Songjie; Brooks, Andrew C.; Martin, Lee; Day, Peter; Li, Hongchao; Horton, Peter; Male, Louise; Wallis, John D.","Novel enantiopure bis(pyrrolo)tetrathiafulvalene donors exhibiting chiral crystal packing arrangements","CrystEngComm","2009","11","6","993","","10.1039/b822009n","","","0.71073","MoKα","","0.1236","0.0796","","","0.1344","0.1555","","","","","","1.077","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200797","10.8652","0.0002","10.8969","0.0002","47.0032","0.001","90","","90","","90","","5565.04","0.19","120","2","120","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","Bis(R-N-(1-naphthyl)ethylpyrrolo)tetrathiafulvalene","","- C34 H26 N2 S4 -","- C34 H26 N2 S4 -","- C272 H208 N16 S32 -","8","1","","Yang, Songjie; Brooks, Andrew C.; Martin, Lee; Day, Peter; Li, Hongchao; Horton, Peter; Male, Louise; Wallis, John D.","Novel enantiopure bis(pyrrolo)tetrathiafulvalene donors exhibiting chiral crystal packing arrangements","CrystEngComm","2009","11","6","993","","10.1039/b822009n","","","0.71073","MoKα","","0.0614","0.0572","","","0.1539","0.1558","","","","","","1.208","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200800","5.559","0.003","10.957","0.005","8.429","0.006","90","","99.21","0.03","90","","506.8","0.5","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 N2 O6 -","- C8 H12 N2 O6 -","- C16 H24 N4 O12 -","2","0.5","","Rambaran, Varma H.; Balof, Shawna; Moody, LaMaryet; VanDerveer, Don; Holder, Alvin A.","A new and efficient synthetic route for the synthesis of 3,6-dimethylpyrazine-2,5-dicarboxylic acid hydrate: molecular structure and unique supramolecular interactions","CrystEngComm","2009","11","4","580","582","10.1039/b822030c","","","0.71073","MoKα","","0.0536","0.0439","","","0.1018","0.1091","","","","","","1.106","","","","has coordinates","218493","2020-10-21","18:00:00",""
"7200801","12.9969","0.0003","7.6546","0.0002","13.4691","0.0004","90","","99.859","0.002","90","","1320.2","0.06","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 N O -","- C18 H13 N O -","- C72 H52 N4 O4 -","4","1","","Hosseinzadeh, R.; Lasemi, Z.; Seichter, W.; Weber, E.","Competitive interactions in crystalline 9-pyridyl-9-fluorenols: crossover from O‒H⋯O to O‒H⋯N hydrogen bonding to construct intra- and intermolecular, helical and linear contact modes","CrystEngComm","2009","11","7","1331","","10.1039/b822101d","","","0.71073","MoKα","","0.0584","0.041","","","0.0988","0.1115","","","","","","1.048","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200802","12.7369","0.0002","7.9376","0.0001","13.0497","0.0002","90","","96.935","0.001","90","","1309.68","0.03","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 N O -","- C18 H13 N O -","- C72 H52 N4 O4 -","4","1","","Hosseinzadeh, R.; Lasemi, Z.; Seichter, W.; Weber, E.","Competitive interactions in crystalline 9-pyridyl-9-fluorenols: crossover from O‒H⋯O to O‒H⋯N hydrogen bonding to construct intra- and intermolecular, helical and linear contact modes","CrystEngComm","2009","11","7","1331","","10.1039/b822101d","","","0.71073","MoKα","","0.06","0.0404","","","0.1056","0.1223","","","","","","1","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200805","23.6321","0.0003","7.3338","0.0001","16.9532","0.0002","90","","104.131","0.001","90","","2849.3","0.06","130","2","130","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","iodobis(1,10-phenanthroline)copper(ii) phenylsulphonate dihydrate","iodobis(1,10-phenanthroline)copper(II) phenylsulphonate dihydrate","","- C30 H25 Cu I N4 O5 S -","- C30 H23 Cu I N4 O5 S -","- C120 H92 Cu4 I4 N16 O20 S4 -","4","1","","Latham, Kay; Mensforth, Emily J.; Rix, Colin J.; White, Jonathan M.","Synthesis of supramolecular metallo-amine-oxy acid systems via crystal disassembly/reassembly","CrystEngComm","2009","11","7","1343","","10.1039/b822193f","","","1.54184","CuKα","","0.0804","0.0614","","","0.1664","0.1712","","","","","","1.102","","","","has coordinates,has disorder","180339","2020-10-21","18:00:00",""
"7200808","12.51","0.002","13.671","0.002","7.5479","0.0012","90","","92.307","0.003","90","","1289.8","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H9 Co N5 O5 -","- C13 H9 Co N5 O5 -","- C52 H36 Co4 N20 O20 -","4","0.5","","Su, Zhi; Bai, Zheng-Shuai; Xu, Jing; Okamura, Taka-aki; Liu, Guang-Xiang; Chu, Qian; Wang, Xiao-Feng; Sun, Wei-Yin; Ueyama, Norikazu","Synthesis, structure and property of cobalt(II) complexes with 3,5-di(1H-imidazol-1-yl)benzoic acid","CrystEngComm","2009","11","5","873","","10.1039/b822394g","","","0.71073","MoKα","","0.0464","0.0405","","","0.1009","0.104","","","","","","1.12","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200809","19.485","0.009","7.084","0.003","12.134","0.007","90","","103.33","0.02","90","","1629.8","1.4","200","","200","","","","","","","","","6","C 1 2 1","C 2y","5","(Co(H2O)2(G1))(ClO4)","[Co(H2O)2(G1)](ClO4)","","- C13 H13 Cl Co N4 O8 -","- C13 H13 Cl Co N4 O8 -","- C52 H52 Cl4 Co4 N16 O32 -","4","1","","Su, Zhi; Bai, Zheng-Shuai; Xu, Jing; Okamura, Taka-aki; Liu, Guang-Xiang; Chu, Qian; Wang, Xiao-Feng; Sun, Wei-Yin; Ueyama, Norikazu","Synthesis, structure and property of cobalt(II) complexes with 3,5-di(1H-imidazol-1-yl)benzoic acid","CrystEngComm","2009","11","5","873","","10.1039/b822394g","","","0.71075","MoKα","","0.0362","0.0339","","","0.0866","0.0886","","","","","","1.042","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200810","11.545","0.0001","11.545","0.0001","32.9386","0.0006","90","","90","","120","","3802.1","0.08","150","2","150","2","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C29 H28 Cu N2 O6 -","- C29 H28 Cu N2 O6 -","- C174 H168 Cu6 N12 O36 -","6","0.5","","Hao, Hong-Qing; Liu, Wen-Ting; Tan, Wei; Lin, Zhuo-Jia; Tong, Ming-Liang","Spontaneous resolution of chiral metal mandelates by stereochemical control","CrystEngComm","2009","11","6","967","","10.1039/b822506k","","","1.54178","CuKα","","0.1088","0.0972","","","0.2189","0.2267","","","","","","1.07","","","","has coordinates,has disorder","180339","2020-10-21","18:00:00",""
"7200811","11.5503","0.0002","11.5503","0.0002","32.9751","0.0017","90","","90","","120","","3809.8","0.2","150","2","150","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C29 H28 Cu N2 O6 -","- C29 H28 Cu N2 O6 -","- C174 H168 Cu6 N12 O36 -","6","0.5","","Hao, Hong-Qing; Liu, Wen-Ting; Tan, Wei; Lin, Zhuo-Jia; Tong, Ming-Liang","Spontaneous resolution of chiral metal mandelates by stereochemical control","CrystEngComm","2009","11","6","967","","10.1039/b822506k","","","1.54178","CuKα","","0.0377","0.032","","","0.0864","0.0891","","","","","","1.079","","","","has coordinates,has disorder","180339","2020-10-21","18:00:00",""
"7200812","11.1531","0.0004","9.9944","0.0003","24.0449","0.0007","90","","90","","90","","2680.25","0.15","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C29 H28 Cu N2 O6 -","- C29 H28 Cu N2 O6 -","- C116 H112 Cu4 N8 O24 -","4","1","","Hao, Hong-Qing; Liu, Wen-Ting; Tan, Wei; Lin, Zhuo-Jia; Tong, Ming-Liang","Spontaneous resolution of chiral metal mandelates by stereochemical control","CrystEngComm","2009","11","6","967","","10.1039/b822506k","","","1.54178","CuKα","","0.0738","0.0537","","","0.129","0.1369","","","","","","0.991","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200813","9.0498","0.0017","13.27","0.002","16.353","0.003","90","","103.053","0.004","90","","1913.1","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H40 Cu2 N4 O6 -","- C42 H40 Cu2 N4 O6 -","- C84 H80 Cu4 N8 O12 -","2","0.5","","Hao, Hong-Qing; Liu, Wen-Ting; Tan, Wei; Lin, Zhuo-Jia; Tong, Ming-Liang","Spontaneous resolution of chiral metal mandelates by stereochemical control","CrystEngComm","2009","11","6","967","","10.1039/b822506k","","","0.71073","MoKα","","0.0713","0.059","","","0.1335","0.1402","","","","","","1.152","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200814","11.6431","0.0012","11.6431","0.0012","32.956","0.007","90","","90","","120","","3869","1","293","2","293","2","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C29 H28 Fe N2 O6 -","- C29 H28 Fe N2 O6 -","- C174 H168 Fe6 N12 O36 -","6","0.5","","Hao, Hong-Qing; Liu, Wen-Ting; Tan, Wei; Lin, Zhuo-Jia; Tong, Ming-Liang","Spontaneous resolution of chiral metal mandelates by stereochemical control","CrystEngComm","2009","11","6","967","","10.1039/b822506k","","","0.71073","MoKα","","0.0875","0.0713","","","0.1676","0.1793","","","","","","1.051","","","","has coordinates,has disorder","180339","2020-10-21","18:00:00",""
"7200815","11.5654","0.0008","11.5654","0.0008","32.789","0.002","90","","90","","120","","3798.2","0.4","150","2","150","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C29 H28 Fe N2 O6 -","- C29 H28 Fe N2 O6 -","- C174 H168 Fe6 N12 O36 -","6","0.5","","Hao, Hong-Qing; Liu, Wen-Ting; Tan, Wei; Lin, Zhuo-Jia; Tong, Ming-Liang","Spontaneous resolution of chiral metal mandelates by stereochemical control","CrystEngComm","2009","11","6","967","","10.1039/b822506k","","","0.71073","MoKα","","0.0725","0.0422","","","0.1006","0.1107","","","","","","1.051","","","","has coordinates,has disorder","180339","2020-10-21","18:00:00",""
"7200816","11.5947","0.0016","11.5947","0.0016","33.068","0.009","90","","90","","120","","3850","1.3","293","2","293","2","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C29 H28 Co N2 O6 -","- C29 H28 Co N2 O6 -","- C174 H168 Co6 N12 O36 -","6","0.5","","Hao, Hong-Qing; Liu, Wen-Ting; Tan, Wei; Lin, Zhuo-Jia; Tong, Ming-Liang","Spontaneous resolution of chiral metal mandelates by stereochemical control","CrystEngComm","2009","11","6","967","","10.1039/b822506k","","","0.71073","MoKα","","0.1389","0.1025","","","0.2294","0.2551","","","","","","1.017","","","","has coordinates,has disorder","180339","2020-10-21","18:00:00",""
"7200817","11.5834","0.0017","11.5834","0.0017","33.052","0.01","90","","90","","120","","3840.6","1.4","293","2","293","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C29 H28 Co N2 O6 -","- C29 H28 Co N2 O6 -","- C174 H168 Co6 N12 O36 -","6","0.5","","Hao, Hong-Qing; Liu, Wen-Ting; Tan, Wei; Lin, Zhuo-Jia; Tong, Ming-Liang","Spontaneous resolution of chiral metal mandelates by stereochemical control","CrystEngComm","2009","11","6","967","","10.1039/b822506k","","","0.71073","MoKα","","0.1003","0.0537","","","0.1102","0.1282","","","","","","1.046","","","","has coordinates,has disorder","180339","2020-10-21","18:00:00",""
"7200818","11.5175","0.0008","11.5175","0.0008","33.162","0.004","90","","90","","120","","3809.7","0.6","150","2","150","2","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C29 H28 N2 Ni O6 -","- C29 H28 N2 Ni O6 -","- C174 H168 N12 Ni6 O36 -","6","0.5","","Hao, Hong-Qing; Liu, Wen-Ting; Tan, Wei; Lin, Zhuo-Jia; Tong, Ming-Liang","Spontaneous resolution of chiral metal mandelates by stereochemical control","CrystEngComm","2009","11","6","967","","10.1039/b822506k","","","0.71073","MoKα","","0.0956","0.0854","","","0.1982","0.2066","","","","","","1.05","","","","has coordinates,has disorder","180339","2020-10-21","18:00:00",""
"7200819","11.4711","0.0001","11.4711","0.0001","33.0791","0.0004","90","","90","","120","","3769.59","0.07","150","2","150","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C29 H28 N2 Ni O6 -","- C29 H28 N2 Ni O6 -","- C174 H168 N12 Ni6 O36 -","6","0.5","","Hao, Hong-Qing; Liu, Wen-Ting; Tan, Wei; Lin, Zhuo-Jia; Tong, Ming-Liang","Spontaneous resolution of chiral metal mandelates by stereochemical control","CrystEngComm","2009","11","6","967","","10.1039/b822506k","","","1.54184","CuKα","","0.0456","0.0323","","","0.0629","0.0649","","","","","","0.926","","","","has coordinates,has disorder","180339","2020-10-21","18:00:00",""
"7200820","11.5947","0.0016","11.5947","0.0016","33.068","0.009","90","","90","","120","","3850","1.3","123","2","123","2","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C29 H28 N2 O6 Zn -","- C29 H28 N2 O6 Zn -","- C174 H168 N12 O36 Zn6 -","6","0.5","","Hao, Hong-Qing; Liu, Wen-Ting; Tan, Wei; Lin, Zhuo-Jia; Tong, Ming-Liang","Spontaneous resolution of chiral metal mandelates by stereochemical control","CrystEngComm","2009","11","6","967","","10.1039/b822506k","","","0.71073","MoKα","","0.0945","0.0669","","","0.1603","0.1716","","","","","","1.087","","","","has coordinates,has disorder","180339","2020-10-21","18:00:00",""
"7200821","11.6056","0.001","11.6056","0.001","33.043","0.005","90","","90","","120","","3854.3","0.7","293","2","293","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C29 H28 N2 O6 Zn -","- C29 H28 N2 O6 Zn -","- C174 H168 N12 O36 Zn6 -","6","0.5","","Hao, Hong-Qing; Liu, Wen-Ting; Tan, Wei; Lin, Zhuo-Jia; Tong, Ming-Liang","Spontaneous resolution of chiral metal mandelates by stereochemical control","CrystEngComm","2009","11","6","967","","10.1039/b822506k","","","0.71073","MoKα","","0.0697","0.0506","","","0.1112","0.1196","","","","","","1.026","","","","has coordinates,has disorder","180339","2020-10-21","18:00:00",""
"7200822","7.9582","0.0015","9.2167","0.0015","9.6845","0.0019","73.672","0.009","81.868","0.011","70.65","0.009","642.3","0.2","98","2","98","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 N4 O2 S2 -","- C28 H28 N4 O2 S2 -","- C28 H28 N4 O2 S2 -","1","0.5","","Ellis, Carol A.; Miller, Michael A.; Spencer, James; Zukerman-Schpector, Julio; Tiekink, Edward R. T.","Co-crystallization experiments of thiocarbamides with bipyridine-type molecules","CrystEngComm","2009","11","7","1352","","10.1039/b822555a","","","0.7107","MoKα","","0.05","0.045","","","0.104","0.107","","","","","","1.08","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200823","7.378","0.008","7.956","0.01","12.339","0.015","101.02","0.05","95.14","0.03","99.78","0.03","695","1.4","98","2","98","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H26 N6 O6 S2 -","- C28 H26 N6 O6 S2 -","- C28 H26 N6 O6 S2 -","1","0.5","","Ellis, Carol A.; Miller, Michael A.; Spencer, James; Zukerman-Schpector, Julio; Tiekink, Edward R. T.","Co-crystallization experiments of thiocarbamides with bipyridine-type molecules","CrystEngComm","2009","11","7","1352","","10.1039/b822555a","","","0.7107","MoKα","","0.081","0.063","","","0.163","0.22","","","","","","1.22","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200824","8.0156","0.0017","9.341","0.0017","9.916","0.003","98.324","0.007","110.766","0.005","91.31","0.002","684.7","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H32 N4 O2 S2 -","- C30 H32 N4 O2 S2 -","- C30 H32 N4 O2 S2 -","1","0.5","","Ellis, Carol A.; Miller, Michael A.; Spencer, James; Zukerman-Schpector, Julio; Tiekink, Edward R. T.","Co-crystallization experiments of thiocarbamides with bipyridine-type molecules","CrystEngComm","2009","11","7","1352","","10.1039/b822555a","","","0.7107","MoKα","","0.046","0.043","","","0.111","0.115","","","","","","1.05","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200825","9.727","0.007","14.64","0.009","10.112","0.007","90","","100.83","0.02","90","","1414.3","1.7","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H28 N6 O6 S2 -","- C28 H28 N6 O6 S2 -","- C56 H56 N12 O12 S4 -","2","0.5","","Ellis, Carol A.; Miller, Michael A.; Spencer, James; Zukerman-Schpector, Julio; Tiekink, Edward R. T.","Co-crystallization experiments of thiocarbamides with bipyridine-type molecules","CrystEngComm","2009","11","7","1352","","10.1039/b822555a","","","0.7107","MoKα","","0.113","0.094","","","0.214","0.225","","","","","","1.21","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7200826","11.454","0.004","14.95","0.006","17.707","0.007","90","","95.738","0.011","90","","3017","2","98","2","98","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H18 N2 O S -","- C16 H18 N2 O S -","- C128 H144 N16 O8 S8 -","8","1","","Ellis, Carol A.; Miller, Michael A.; Spencer, James; Zukerman-Schpector, Julio; Tiekink, Edward R. T.","Co-crystallization experiments of thiocarbamides with bipyridine-type molecules","CrystEngComm","2009","11","7","1352","","10.1039/b822555a","","","0.7107","MoKα","","0.078","0.072","","","0.201","0.214","","","","","","1.2","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200827","12.047","0.002","14.947","0.001","13.02","0.002","90","","111.404","0.007","90","","2182.8","0.5","294","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H42 O5 -","- C22 H41.5 O5 -","- C88 H166 O20 -","4","1","","Nguyen, Vi T.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Alternative crystal forms produced by a dialcohol inclusion host : Resolutions and polymorphs. Part 3","CrystEngComm","2009","11","7","1275","","10.1039/b822624p","","x-ray","1.54184","CuKα","","","0.048","","","","0.062","","","","","","1.78","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200828","20.575","0.013","15.282","0.005","11.747","0.008","90","","91.01","0.03","90","","3693","4","294","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C37 H65 O6 -","- C37 H62 O6 -","- C148 H248 O24 -","4","1","","Nguyen, Vi T.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Alternative crystal forms produced by a dialcohol inclusion host : Resolutions and polymorphs. Part 3","CrystEngComm","2009","11","7","1275","","10.1039/b822624p","","x-ray","0.71073","MoKα","","","0.082","","","","0.117","","","","","","1.55","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200831","19.581","0.005","13.149","0.004","24.19","0.013","90","","93.75","0.04","90","","6215","4","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C37 H32 Sn2 -","- C37 H32 Sn2 -","- C296 H256 Sn16 -","8","2","","Bettens, Ryan P. A.; Dakternieks, Dainis; Duthie, Andrew; Kuan, Fong Sheen; Tiekink, Edward R. T.","The influence of crystal packing effects upon the molecular structures of Ph3Sn(CH2)nSnPh3, n = 1 to 8, as determined by X-ray crystallography and DFT molecular orbital calculations. Supramolecular aggregation patterns sustained by C‒H⋯π interactions","CrystEngComm","2009","11","7","1362","","10.1039/b822682b","","","0.7107","MoKα","","0.115","0.038","","","0.091","0.115","","","","","","1","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200832","7.898","0.004","17.096","0.007","18.254","0.009","78.8","0.04","80.02","0.04","80.76","0.04","2361","2","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C38 H34 Sn2 -","- C38 H34 Sn2 -","- C114 H102 Sn6 -","3","1.5","","Bettens, Ryan P. A.; Dakternieks, Dainis; Duthie, Andrew; Kuan, Fong Sheen; Tiekink, Edward R. T.","The influence of crystal packing effects upon the molecular structures of Ph3Sn(CH2)nSnPh3, n = 1 to 8, as determined by X-ray crystallography and DFT molecular orbital calculations. Supramolecular aggregation patterns sustained by C‒H⋯π interactions","CrystEngComm","2009","11","7","1362","","10.1039/b822682b","","","0.71069","MoKα","","0.051","0.028","","","0.069","0.077","","","","","","1.05","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7200833","44.7","0.04","6.65","0.008","17.806","0.016","90","","108.97","0.07","90","","5005","9","173","2","173","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C39 H36 Sn2 -","- C39 H36 Sn2 -","- C234 H216 Sn12 -","6","1.5","","Bettens, Ryan P. A.; Dakternieks, Dainis; Duthie, Andrew; Kuan, Fong Sheen; Tiekink, Edward R. T.","The influence of crystal packing effects upon the molecular structures of Ph3Sn(CH2)nSnPh3, n = 1 to 8, as determined by X-ray crystallography and DFT molecular orbital calculations. Supramolecular aggregation patterns sustained by C‒H⋯π interactions","CrystEngComm","2009","11","7","1362","","10.1039/b822682b","","","0.71069","MoKα","","0.059","0.03","","","0.07","0.079","","","","","","1.02","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7200834","19.681","0.01","10.123","0.0015","18.193","0.005","90","","100.44","0.03","90","","3565","2","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C41 H40 Sn2 -","- C41 H40 Sn2 -","- C164 H160 Sn8 -","4","1","","Bettens, Ryan P. A.; Dakternieks, Dainis; Duthie, Andrew; Kuan, Fong Sheen; Tiekink, Edward R. T.","The influence of crystal packing effects upon the molecular structures of Ph3Sn(CH2)nSnPh3, n = 1 to 8, as determined by X-ray crystallography and DFT molecular orbital calculations. Supramolecular aggregation patterns sustained by C‒H⋯π interactions","CrystEngComm","2009","11","7","1362","","10.1039/b822682b","","","0.71069","MoKα","","0.084","0.033","","","0.062","0.076","","","","","","1.01","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200835","12.092","0.003","16.255","0.007","19.16","0.003","90","","105.347","0.015","90","","3631.7","1.9","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C42 H42 Sn2 -","- C42 H42 Sn2 -","- C168 H168 Sn8 -","4","0.5","","Bettens, Ryan P. A.; Dakternieks, Dainis; Duthie, Andrew; Kuan, Fong Sheen; Tiekink, Edward R. T.","The influence of crystal packing effects upon the molecular structures of Ph3Sn(CH2)nSnPh3, n = 1 to 8, as determined by X-ray crystallography and DFT molecular orbital calculations. Supramolecular aggregation patterns sustained by C‒H⋯π interactions","CrystEngComm","2009","11","7","1362","","10.1039/b822682b","","","0.71069","MoKα","","0.067","0.026","","","0.059","0.069","","","","","","1.02","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200836","32.89","0.03","7.65","0.01","31.334","0.008","90","","103.06","0.05","90","","7680","12","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C43 H44 Sn2 -","- C43 H44 Sn2 -","- C344 H352 Sn16 -","8","1","","Bettens, Ryan P. A.; Dakternieks, Dainis; Duthie, Andrew; Kuan, Fong Sheen; Tiekink, Edward R. T.","The influence of crystal packing effects upon the molecular structures of Ph3Sn(CH2)nSnPh3, n = 1 to 8, as determined by X-ray crystallography and DFT molecular orbital calculations. Supramolecular aggregation patterns sustained by C‒H⋯π interactions","CrystEngComm","2009","11","7","1362","","10.1039/b822682b","","","0.71069","MoKα","","0.297","0.12","","","0.327","0.394","","","","","","1.69","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200837","14.356","0.003","7.707","0.003","17.147","0.006","90","","97.47","0.02","90","","1881.1","1.1","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C44 H46 Sn2 -","- C44 H46 Sn2 -","- C88 H92 Sn4 -","2","0.5","","Bettens, Ryan P. A.; Dakternieks, Dainis; Duthie, Andrew; Kuan, Fong Sheen; Tiekink, Edward R. T.","The influence of crystal packing effects upon the molecular structures of Ph3Sn(CH2)nSnPh3, n = 1 to 8, as determined by X-ray crystallography and DFT molecular orbital calculations. Supramolecular aggregation patterns sustained by C‒H⋯π interactions","CrystEngComm","2009","11","7","1362","","10.1039/b822682b","","","0.71069","MoKα","","0.058","0.027","","","0.066","0.076","","","","","","1.01","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200838","5.216","0.003","12.753","0.008","15.346","0.008","82.546","0.014","80.707","0.013","87.955","0.015","998.8","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H18 N2 O11.49 Zn -","- C17.999 H18 N2 O11.5 Zn -","- C35.998 H36 N4 O23 Zn2 -","2","1","","Zhang, Lei; Lin, Qi-Pu; Li, Zhao-Ji; Zhang, Jian; Qin, Ye-Yan; Cheng, Jian-Kai; Yao, Yuan-Gen","Configuration determination of flexible tetracarboxylate ligands in two supramolecular structures","CrystEngComm","2009","11","7","1201","","10.1039/b822767e","","","0.71073","MoKα","","0.0573","0.0423","","","0.0977","0.107","","","","","","0.963","","","","has coordinates,has disorder","180339","2020-10-21","18:00:00",""
"7200839","8.44","0.007","9.794","0.008","12.998","0.011","92.785","0.009","108.818","0.011","91.918","0.011","1014.4","1.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H17 N2 O9.5 Zn2 -","- C19 H17 N2 O9.5 Zn2 -","- C38 H34 N4 O19 Zn4 -","2","1","","Zhang, Lei; Lin, Qi-Pu; Li, Zhao-Ji; Zhang, Jian; Qin, Ye-Yan; Cheng, Jian-Kai; Yao, Yuan-Gen","Configuration determination of flexible tetracarboxylate ligands in two supramolecular structures","CrystEngComm","2009","11","7","1201","","10.1039/b822767e","","","0.71073","MoKα","","0.0769","0.0515","","","0.1147","0.1309","","","","","","1.026","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200840","7.8746","0.0016","21.825","0.004","17.83","0.004","90","","99.62","0.03","90","","3021.2","1.1","133","2","133","2","","","","","","","","6","P 1 21 1","P 2yb","4","(1-(((R)-m-(E)-2-(7-chloroquinol-2-yl)vinyl))-a-(2-(1-hydroxy- 1-methylethyl)\ phenylethyl)-benzylthio)methyl)cyclopropane acetic acid","(1-{[(R)-m-(E)-2-(7-chloroquinol-2-yl)vinyl)]-a-[2-(1-hydroxy-1-methylethyl)\ phenylethyl]-benzylthio}methyl)cyclopropane acetic acid","","- C35 H36 Cl N O3 S -","- C35 H36 Cl N O3 S -","- C140 H144 Cl4 N4 O12 S4 -","4","2","","Thun, Juergen; Milius, Wolfgang; Wedel, Bastian; Ridder, Andre; Moersdorf, Peter; Breu, Josef","The crystal structure of the API Montelukast","CrystEngComm","2009","11","7","1306","","10.1039/b822821c","","","0.71073","MoKα","","0.0983","0.0619","","","0.1115","0.1239","","","","","","1.035","","","","has coordinates","287905","2023-11-30","18:01:52",""
"7200841","9.5983","0.0019","5.9716","0.0012","9.784","0.002","90","","107.41","0.03","90","","535.1","0.2","296","2","296","2","620000","","","","","","","6","P 1 21/c 1","-P 2ybc","14","1-bromo-2-iodo-1,1,2,2-tetrafluoroethane:1,4-dioxane","1-bromo-2-iodo-1,1,2,2-tetrafluoroethane:1,4-dioxane","","- C6 H8 Br F4 I O2 -","- C6 H8 Br F4 I O2 -","- C12 H16 Br2 F8 I2 O4 -","2","0.5","","Olejniczak, Anna; Katrusiak, Andrzej; Vij, Ashwani","Halogen⋯oxygen aggregation and disorder modes in pressure frozen XCF2CF2X : 1,4-dioxane (X = Br,I) complexes","CrystEngComm","2009","11","7","1240","","10.1039/b822832a","","","0.71073","MoKα","","0.0814","0.07","","","0.1584","0.1651","","","","","","1.196","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200842","5.659","0.001","6.41","0.001","5.892","0.001","90","","98.36","0.03","90","","211.46","0.06","296","2","296","2","420000","","","","","","","3","P 1 21/n 1","-P 2yn","14","1,4-dioxane","1,4-dioxane","","- C4 H8 O2 -","- C4 H8 O2 -","- C8 H16 O4 -","2","0.5","","Olejniczak, Anna; Katrusiak, Andrzej; Vij, Ashwani","Halogen⋯oxygen aggregation and disorder modes in pressure frozen XCF2CF2X : 1,4-dioxane (X = Br,I) complexes","CrystEngComm","2009","11","7","1240","","10.1039/b822832a","","","0.71073","MoKα","","0.2073","0.1784","","","0.325","0.34","","","","","","1.416","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200843","8.838","0.001","8.838","0.001","13.532","0.003","90","","90","","120","","915.4","0.3","296","2","296","2","300000","","","","","","","5","R -3 :H","-R 3","148","1,2-diiodo-1,1,2,2-tetrafluoroethane:1,4-dioxane","1,2-diiodo-1,1,2,2-tetrafluoroethane:1,4-dioxane","","- C6 H8 F4 I2 O2 -","- C6 H7.92 F3.96 I2 O2 -","- C18 H23.76 F11.88 I6 O6 -","3","0.166667","","Olejniczak, Anna; Katrusiak, Andrzej; Vij, Ashwani","Halogen⋯oxygen aggregation and disorder modes in pressure frozen XCF2CF2X : 1,4-dioxane (X = Br,I) complexes","CrystEngComm","2009","11","7","1240","","10.1039/b822832a","","","0.71073","MoKα","","0.1451","0.1335","","","0.3502","0.3668","","","","","","1.44","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200844","15.9084","0.0006","14.3646","0.0006","16.7141","0.0008","90","","116.386","0.002","90","","3421.6","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H66 N29 O35 Re U -","- C42 H66 N29 O35 Re U -","- C84 H132 N58 O70 Re2 U2 -","2","1","","Thuéry, Pierre","Uranyl ion complexes of cucurbit[7]uril with zero-, one- and two-dimensionality","CrystEngComm","2009","11","6","1150","","10.1039/b822872h","","","0.71073","MoKα","","0.0633","0.0471","","","0.1205","0.1247","","","","","","1.029","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200845","29.9954","0.0008","17.6794","0.0007","20.5253","0.0006","90","","127.974","0.002","90","","8580.2","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H80 N32 O55 U4 -","- C42 H76 N32 O55 U4 -","- C168 H304 N128 O220 U16 -","4","0.5","","Thuéry, Pierre","Uranyl ion complexes of cucurbit[7]uril with zero-, one- and two-dimensionality","CrystEngComm","2009","11","6","1150","","10.1039/b822872h","","","0.71073","MoKα","","0.0492","0.0383","","","0.097","0.1013","","","","","","1.048","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200846","17.8166","0.0008","20.4976","0.0009","19.134","0.0007","90","","90.607","0.003","90","","6987.3","0.5","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C44 H68 N28 O35 U2 -","- C44 H46 N28 O35 U2 -","- C176 H184 N112 O140 U8 -","4","1","","Thuéry, Pierre","Uranyl ion complexes of cucurbit[7]uril with zero-, one- and two-dimensionality","CrystEngComm","2009","11","6","1150","","10.1039/b822872h","","","0.71073","MoKα","","0.0662","0.0608","","","0.1611","0.1638","","","","","","1.05","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200848","8.2406","0.0004","5.21314","0.00024","11.4415","0.0006","90","","103.909","0.0024","90","","477.11","0.04","298","","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","zinc fumarate","zinc fumarate","","- C4 H2 O4 Zn -","- C4 H2 O4 Zn -","- C16 H8 O16 Zn4 -","4","0.5","","Friščić, Tomislav; Fábián, László","Mechanochemical conversion of a metal oxide into coordination polymers and porous frameworks using liquid-assisted grinding (LAG)","CrystEngComm","2009","11","5","743","","10.1039/b822934c","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","0.03578","","1.03","","","","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200849","3.3969","0.00006","10.34413","0.00024","8.80754","0.00016","90","","95.5452","0.0022","90","","308.031","0.011","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","zinc fumarate dihydrate","zinc fumarate dihydrate","","- C4 H6 O6 Zn -","- C4 H6 O6 Zn -","- C8 H12 O12 Zn2 -","2","0.5","","Friščić, Tomislav; Fábián, László","Mechanochemical conversion of a metal oxide into coordination polymers and porous frameworks using liquid-assisted grinding (LAG)","CrystEngComm","2009","11","5","743","","10.1039/b822934c","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","0.04261","","1.36","","","","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200850","16.4332","0.0009","10.7749","0.0009","13.784","0.0012","90","","104.979","0.007","90","","2357.7","0.3","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","zinc(trans-1,2-bis(4-pyridyl)ethylene) fumarate","zinc(trans-1,2-bis(4-pyridyl)ethylene) fumarate","","- C10 H7 N O4 Zn -","- C10 H7 N O4 Zn -","- C80 H56 N8 O32 Zn8 -","8","1","","Friščić, Tomislav; Fábián, László","Mechanochemical conversion of a metal oxide into coordination polymers and porous frameworks using liquid-assisted grinding (LAG)","CrystEngComm","2009","11","5","743","","10.1039/b822934c","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","0.05911","","4.14","","","","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200851","25.574","0.005","8.6352","0.0017","17.905","0.004","90","","122.61","0.03","90","","3330.8","1.6","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C41 H28 N2 O8 -","- C41 H28 N2 O8 -","- C164 H112 N8 O32 -","4","0.5","","Men, Yong-Biao; Sun, Junliang; Huang, Zhi-Tang; Zheng, Qi-Yu","Organic hydrogen-bonded interpenetrating diamondoid frameworks from modular self-assembly of methanetetrabenzoic acid with linkers","CrystEngComm","2009","11","6","978","","10.1039/b822936h","","","0.71073","MoKα","","0.0844","0.0575","","","0.1162","0.1256","","","","","","1.189","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200852","12.7276","0.0018","12.7276","0.0018","56.994","0.011","90","","90","","90","","9233","3","173","2","173","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- C49 H36 N4 O8 -","- C49 H36 N4 O8 -","- C392 H288 N32 O64 -","8","0.25","","Men, Yong-Biao; Sun, Junliang; Huang, Zhi-Tang; Zheng, Qi-Yu","Organic hydrogen-bonded interpenetrating diamondoid frameworks from modular self-assembly of methanetetrabenzoic acid with linkers","CrystEngComm","2009","11","6","978","","10.1039/b822936h","","","0.71073","MoKα","","0.08","0.0428","","","0.0919","0.0989","","","","","","0.893","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200853","7.9606","0.0002","8.5798","0.0002","10.7739","0.0003","87.868","0.003","85.153","0.002","88.212","0.001","732.43","0.03","298","","298","","","","","","","","The compound was used as received from Sigma-Aldrich, Fancy Road, Poole, U.K.","5","P -1","-P 1","2","ciprofloxacin","","","- C17 H18 F N3 O3 -","- C17 H18 F N3 O3 -","- C34 H36 F2 N6 O6 -","2","1","","Fabbiani, Francesca P. A.; Dittrich, Birger; Florence, Alastair J.; Gelbrich, Thomas; Hursthouse, Michael B.; Kuhs, Werner F.; Shankland, Norman; Sowa, Heidrun","Crystal structures with a challenge: high-pressure crystallisation of ciprofloxacin sodium salts and their recovery to ambient pressure","CrystEngComm","2009","11","7","1396","","10.1039/b822987b","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200854","9.452","0.003","9.591","0.004","11.233","0.006","85.67","0.02","99.62","0.02","93.74","0.02","999.7","0.8","293","","293","","","","","","","","high-pressure crystallisation at 0.25 GPa","6","P -1","-P 1","2","","","","- C17 H27.5 F N3 Na0.5 O8 -","- C17 H17.5 F N3 Na0.5 O8 -","- C34 H35 F2 N6 Na O16 -","2","1","","Fabbiani, Francesca P. A.; Dittrich, Birger; Florence, Alastair J.; Gelbrich, Thomas; Hursthouse, Michael B.; Kuhs, Werner F.; Shankland, Norman; Sowa, Heidrun","Crystal structures with a challenge: high-pressure crystallisation of ciprofloxacin sodium salts and their recovery to ambient pressure","CrystEngComm","2009","11","7","1396","","10.1039/b822987b","","","0.71073","MoKα","","0.1299","0.1031","","0.277","0.2553","0.277","","","","","","0.9753","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7200855","9.391","0.008","9.57","0.008","11.095","0.009","85.247","0.014","99.498","0.013","93.272","0.014","979.1","1.4","100","","100","","","","","","","","recovery of 2 to ambient pressure","6","P -1","-P 1","2","","","","- C17 H27.5 F N3 Na0.5 O8 -","- C17 H17.5 F N3 Na0.5 O8 -","- C34 H35 F2 N6 Na O16 -","2","1","","Fabbiani, Francesca P. A.; Dittrich, Birger; Florence, Alastair J.; Gelbrich, Thomas; Hursthouse, Michael B.; Kuhs, Werner F.; Shankland, Norman; Sowa, Heidrun","Crystal structures with a challenge: high-pressure crystallisation of ciprofloxacin sodium salts and their recovery to ambient pressure","CrystEngComm","2009","11","7","1396","","10.1039/b822987b","","","0.71073","MoKα","","0.1286","0.079","","0.23","0.1971","0.23","","","","","","0.8956","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7200856","9.547","0.007","9.87","0.007","11.109","0.012","88.79","0.04","101.42","0.04","90.25","0.02","1025.8","1.5","293","","293","","","","","","","","high-pressure crystallisation at 0.6 GPa","6","P -1","-P 1","2","","","","- C17 H27 F N3 Na O8 -","- C17 H17 F N3 Na O8 -","- C34 H34 F2 N6 Na2 O16 -","2","1","","Fabbiani, Francesca P. A.; Dittrich, Birger; Florence, Alastair J.; Gelbrich, Thomas; Hursthouse, Michael B.; Kuhs, Werner F.; Shankland, Norman; Sowa, Heidrun","Crystal structures with a challenge: high-pressure crystallisation of ciprofloxacin sodium salts and their recovery to ambient pressure","CrystEngComm","2009","11","7","1396","","10.1039/b822987b","","","0.71073","MoKα","","0.096","0.078","","0.183","0.1741","0.183","","","","","","1.0043","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7200857","11.065","0.01","13.155","0.012","13.879","0.012","90.983","0.014","98.941","0.014","93.181","0.014","1992","3","100","","100","","","","","","","","recovery of 4 to ambient pressure, first 100 K data collection","6","P -1","-P 1","2","","","","- C34 H54 F2 N6 Na2 O16 -","- C34 H34 F2 N6 Na2 O15.5 -","- C68 H68 F4 N12 Na4 O31 -","2","1","","Fabbiani, Francesca P. A.; Dittrich, Birger; Florence, Alastair J.; Gelbrich, Thomas; Hursthouse, Michael B.; Kuhs, Werner F.; Shankland, Norman; Sowa, Heidrun","Crystal structures with a challenge: high-pressure crystallisation of ciprofloxacin sodium salts and their recovery to ambient pressure","CrystEngComm","2009","11","7","1396","","10.1039/b822987b","","","0.71073","MoKα","","0.1919","0.1206","","0.3717","0.3214","0.3717","","","","","","0.9484","","","","has coordinates,has disorder","180339","2020-10-21","18:00:00",""
"7200858","9.624","0.003","9.493","0.003","11.471","0.004","89.643","0.006","103.304","0.006","88.861","0.006","1019.6","0.6","100","","100","","","","","","","","recovery of 4 to ambient pressure, second 100 K data collection","6","P -1","-P 1","2","","","","- C34 H54 F2 N6 Na2 O16 -","- C34 H52 F2 N6 Na2 O16 -","- C34 H52 F2 N6 Na2 O16 -","1","0.5","","Fabbiani, Francesca P. A.; Dittrich, Birger; Florence, Alastair J.; Gelbrich, Thomas; Hursthouse, Michael B.; Kuhs, Werner F.; Shankland, Norman; Sowa, Heidrun","Crystal structures with a challenge: high-pressure crystallisation of ciprofloxacin sodium salts and their recovery to ambient pressure","CrystEngComm","2009","11","7","1396","","10.1039/b822987b","","","0.71073","MoKα","","0.0798","0.0542","","0.136","0.1242","0.136","","","","","","1.0012","","","","has coordinates,has disorder","291143","2024-04-09","08:49:04",""
"7200862","12.414","0.011","19.068","0.016","7.19","0.006","90","","99.28","0.02","90","","1680","2","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","HG-I1 N-(m-methoxyphenyl)tetrazolone","","- C8 H8 N4 O2 -","- C8 H8 N4 O2 -","- C64 H64 N32 O16 -","8","2","","Rayat, Sundeep; Alawode, Olajide; Desper, John","Intermolecular interactions in the crystal structures of substituted tetrazolones","CrystEngComm","2009","11","9","1892","","10.1039/b823041b","","","0.71073","MoKα","","0.0997","0.0533","","","0.1435","0.1707","","","","","","1.016","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200863","10.1689","0.0003","6.9582","0.0002","12.1607","0.0004","90","","104.799","0.001","90","","831.91","0.04","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(4-methoxyphenyl)-1,5-dihydro-5H-tetrazolone","","- C8 H8 N4 O2 -","- C8 H8 N4 O2 -","- C32 H32 N16 O8 -","4","1","","Rayat, Sundeep; Alawode, Olajide; Desper, John","Intermolecular interactions in the crystal structures of substituted tetrazolones","CrystEngComm","2009","11","9","1892","","10.1039/b823041b","","","0.71073","MoKα","","0.0445","0.0399","","","0.1148","0.1205","","","","","","1.041","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200864","8.8329","0.0005","13.1354","0.0008","16.0027","0.0009","90","","90","","90","","1856.69","0.19","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","HG864A 2-(3-methoxyphenyl)-5-methyl-tetrazolone","","- C9 H10 N4 O2 -","- C9 H10 N4 O2 -","- C72 H80 N32 O16 -","8","1","","Rayat, Sundeep; Alawode, Olajide; Desper, John","Intermolecular interactions in the crystal structures of substituted tetrazolones","CrystEngComm","2009","11","9","1892","","10.1039/b823041b","","","0.71073","MoKα","","0.0567","0.041","","","0.1158","0.1261","","","","","","1.06","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200865","3.8317","0.0003","13.8861","0.0013","17.7714","0.0016","90","","90","","90","","945.57","0.14","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-(4-methoxyphenyl)-4-methyl-1,5-dihydro-5H-tetrazolone","","- C9 H10 N4 O2 -","- C9 H10 N4 O2 -","- C36 H40 N16 O8 -","4","1","","Rayat, Sundeep; Alawode, Olajide; Desper, John","Intermolecular interactions in the crystal structures of substituted tetrazolones","CrystEngComm","2009","11","9","1892","","10.1039/b823041b","","","0.71073","MoKα","","0.0429","0.0378","","","0.103","0.1078","","","","","","1.029","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200866","4.6812","0.0009","14.097","0.004","13.296","0.003","90","","99.967","0.007","90","","864.2","0.4","98","2","98","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H9 Cl N2 -","- C10 H9 Cl N2 -","- C40 H36 Cl4 N8 -","4","1","","Kaiser, Carlos R.; Pais, Karla C.; de Souza, Marcus V. N.; Wardell, James L.; Wardell, Solange M. S. V.; Tiekink, Edward R. T.","Assessing the persistence of the N‒H⋯N hydrogen bonding leading to supramolecular chains in molecules related to the anti-malarial drug, chloroquine","CrystEngComm","2009","11","6","1133","1140","10.1039/b823058g","","","0.7107","MoKα","","0.03","0.029","","","0.079","0.08","","","","","","1.07","","","","has coordinates","218395","2020-10-21","18:00:00",""
"7200867","10.4386","0.0003","17.9769","0.0005","13.0512","0.0003","90","","108.987","0.002","90","","2315.86","0.11","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 Cl N2 -","- C12 H13 Cl N2 -","- C96 H104 Cl8 N16 -","8","2","","Kaiser, Carlos R.; Pais, Karla C.; de Souza, Marcus V. N.; Wardell, James L.; Wardell, Solange M. S. V.; Tiekink, Edward R. T.","Assessing the persistence of the N‒H⋯N hydrogen bonding leading to supramolecular chains in molecules related to the anti-malarial drug, chloroquine","CrystEngComm","2009","11","6","1133","1140","10.1039/b823058g","","","0.7107","MoKα","","0.086","0.059","","","0.165","0.189","","","","","","1.07","","","","has coordinates","218395","2020-10-21","18:00:00",""
"7200868","9.3167","0.0003","20.4346","0.0011","25.3335","0.0015","90","","90","","90","","4823.1","0.4","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H15 Cl N2 -","- C13 H15 Cl N2 -","- C208 H240 Cl16 N32 -","16","2","","Kaiser, Carlos R.; Pais, Karla C.; de Souza, Marcus V. N.; Wardell, James L.; Wardell, Solange M. S. V.; Tiekink, Edward R. T.","Assessing the persistence of the N‒H⋯N hydrogen bonding leading to supramolecular chains in molecules related to the anti-malarial drug, chloroquine","CrystEngComm","2009","11","6","1133","1140","10.1039/b823058g","","","0.7107","MoKα","","0.11","0.055","","","0.128","0.156","","","","","","1.04","","","","has coordinates","218395","2020-10-21","18:00:00",""
"7200869","4.6442","0.0012","17.67","0.004","13.313","0.003","90","","100.024","0.002","90","","1075.8","0.4","120","2","120","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C11 H10 Cl2 N2 -","- C11 H10 Cl2 N2 -","- C44 H40 Cl8 N8 -","4","1","","Kaiser, Carlos R.; Pais, Karla C.; de Souza, Marcus V. N.; Wardell, James L.; Wardell, Solange M. S. V.; Tiekink, Edward R. T.","Assessing the persistence of the N‒H⋯N hydrogen bonding leading to supramolecular chains in molecules related to the anti-malarial drug, chloroquine","CrystEngComm","2009","11","6","1133","1140","10.1039/b823058g","","","0.6905","synchrotron","","0.038","0.038","","","0.104","0.105","","","","","","1.11","","","","has coordinates","218395","2020-10-21","18:00:00",""
"7200870","13.0426","0.0005","7.8693","0.0002","22.6276","0.0009","90","","90","","90","","2322.41","0.14","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H10 Cl N5 -","- C11 H10 Cl N5 -","- C88 H80 Cl8 N40 -","8","1","","Kaiser, Carlos R.; Pais, Karla C.; de Souza, Marcus V. N.; Wardell, James L.; Wardell, Solange M. S. V.; Tiekink, Edward R. T.","Assessing the persistence of the N‒H⋯N hydrogen bonding leading to supramolecular chains in molecules related to the anti-malarial drug, chloroquine","CrystEngComm","2009","11","6","1133","1140","10.1039/b823058g","","","0.7107","MoKα","","0.067","0.051","","","0.096","0.105","","","","","","1.08","","","","has coordinates","218395","2020-10-21","18:00:00",""
"7200871","4.5721","0.0001","14.8383","0.0006","14.8932","0.0006","90","","93.546","0.003","90","","1008.45","0.06","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 Cl N2 O -","- C11 H11 Cl N2 O -","- C44 H44 Cl4 N8 O4 -","4","1","","Kaiser, Carlos R.; Pais, Karla C.; de Souza, Marcus V. N.; Wardell, James L.; Wardell, Solange M. S. V.; Tiekink, Edward R. T.","Assessing the persistence of the N‒H⋯N hydrogen bonding leading to supramolecular chains in molecules related to the anti-malarial drug, chloroquine","CrystEngComm","2009","11","6","1133","1140","10.1039/b823058g","","","0.7107","MoKα","","0.071","0.041","","","0.091","0.104","","","","","","1.05","","","","has coordinates","218395","2020-10-21","18:00:00",""
"7200872","8.929","0.0003","15.0394","0.0005","9.2127","0.0002","90","","105.198","0.002","90","","1193.88","0.06","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 Cl N2 O -","- C13 H15 Cl N2 O -","- C52 H60 Cl4 N8 O4 -","4","1","","Kaiser, Carlos R.; Pais, Karla C.; de Souza, Marcus V. N.; Wardell, James L.; Wardell, Solange M. S. V.; Tiekink, Edward R. T.","Assessing the persistence of the N‒H⋯N hydrogen bonding leading to supramolecular chains in molecules related to the anti-malarial drug, chloroquine","CrystEngComm","2009","11","6","1133","1140","10.1039/b823058g","","","0.7107","MoKα","","0.044","0.036","","","0.086","0.09","","","","","","1.06","","","","has coordinates","218395","2020-10-21","18:00:00",""
"7200873","8.7612","0.0003","7.0756","0.0001","9.6622","0.0002","90","","95.644","0.001","90","","596.06","0.03","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H15 Cl N2 O -","- C13 H15 Cl N2 O -","- C26 H30 Cl2 N4 O2 -","2","1","","Kaiser, Carlos R.; Pais, Karla C.; de Souza, Marcus V. N.; Wardell, James L.; Wardell, Solange M. S. V.; Tiekink, Edward R. T.","Assessing the persistence of the N‒H⋯N hydrogen bonding leading to supramolecular chains in molecules related to the anti-malarial drug, chloroquine","CrystEngComm","2009","11","6","1133","1140","10.1039/b823058g","","","0.7107","MoKα","","0.032","0.03","","","0.071","0.073","","","","","","1.06","","","","has coordinates","218395","2020-10-21","18:00:00",""
"7200880","16.9103","0.0005","24.7509","0.0007","6.773","0.0002","90","","96.082","0.001","90","","2818.85","0.14","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 Ag2 N5 O14 Sm -","- C24 H22 Ag2 N5 O14 Sm -","- C96 H88 Ag8 N20 O56 Sm4 -","4","1","","Cai, Yue-Peng; Yu, Qiong-Yan; Zhou, Zheng-Yuan; Hu, Zuo-Jun; Fang, Hua-Cai; Wang, Ning; Zhan, Qing-Guang; Chen, Li; Su, Cheng-Yong","Metal-directed assembly of two 2-D 4d‒4f coordination polymers based on elliptical triple-deck cylinders hinged by meso-double helical chains","CrystEngComm","2009","11","6","1006","","10.1039/b823457d","","","0.71073","MoKα","","0.0257","0.0222","","","0.048","0.0494","","","","","","1.021","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200881","16.8877","0.0003","24.7375","0.0006","6.7716","0.0001","90","","96.162","0.002","90","","2812.56","0.09","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 Ag2 Eu N5 O14 -","- C24 H22 Ag2 Eu N5 O14 -","- C96 H88 Ag8 Eu4 N20 O56 -","4","1","","Cai, Yue-Peng; Yu, Qiong-Yan; Zhou, Zheng-Yuan; Hu, Zuo-Jun; Fang, Hua-Cai; Wang, Ning; Zhan, Qing-Guang; Chen, Li; Su, Cheng-Yong","Metal-directed assembly of two 2-D 4d‒4f coordination polymers based on elliptical triple-deck cylinders hinged by meso-double helical chains","CrystEngComm","2009","11","6","1006","","10.1039/b823457d","","","0.71073","MoKα","","0.0238","0.0208","","","0.0478","0.0489","","","","","","1.012","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200882","7.5461","0.0015","13.0618","0.0008","17.32","0.005","97.189","0.013","92.502","0.015","100.548","0.012","1661.2","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H60 Ag4 N10 O36 Sm2 -","- C48 H60 Ag4 N10 O36 Sm2 -","- C48 H60 Ag4 N10 O36 Sm2 -","1","0.5","","Cai, Yue-Peng; Yu, Qiong-Yan; Zhou, Zheng-Yuan; Hu, Zuo-Jun; Fang, Hua-Cai; Wang, Ning; Zhan, Qing-Guang; Chen, Li; Su, Cheng-Yong","Metal-directed assembly of two 2-D 4d‒4f coordination polymers based on elliptical triple-deck cylinders hinged by meso-double helical chains","CrystEngComm","2009","11","6","1006","","10.1039/b823457d","","","0.71073","MoKα","","0.0694","0.0428","","","0.0998","0.1252","","","","","","1.033","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200883","7.5268","0.0008","13.047","0.003","17.351","0.004","97.295","0.016","92.252","0.015","100.496","0.01","1658.4","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H60 Ag4 Eu2 N10 O36 -","- C48 H60 Ag4 Eu2 N10 O36 -","- C48 H60 Ag4 Eu2 N10 O36 -","1","0.5","","Cai, Yue-Peng; Yu, Qiong-Yan; Zhou, Zheng-Yuan; Hu, Zuo-Jun; Fang, Hua-Cai; Wang, Ning; Zhan, Qing-Guang; Chen, Li; Su, Cheng-Yong","Metal-directed assembly of two 2-D 4d‒4f coordination polymers based on elliptical triple-deck cylinders hinged by meso-double helical chains","CrystEngComm","2009","11","6","1006","","10.1039/b823457d","","","0.71073","MoKα","","0.0435","0.0337","","","0.09","0.1039","","","","","","0.975","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200884","13.355","0.002","14.45","0.002","14.685","0.002","90.181","0.004","115.534","0.003","115.853","0.003","2236.5","0.6","273","2","273","2","","","","","","","","6","P -1","-P 1","2","((AgL1)(AgC2F5CO2)5(H2O)3)0.5H2O","","","- C48 H26 Ag12 F50 I2 O29 -","- C24 H13 Ag6 F25 I O14.5 -","- C48 H26 Ag12 F50 I2 O29 -","2","1","","Zang, Shuang-Quan; Cheng, Ping-Shing; Mak, Thomas C. W.","Silver⋯X‒aryl (X = I and Br) interaction in a network assembly with a flexible polynuclear silver‒ethynide supramolecular synthon","CrystEngComm","2009","11","6","1061","","10.1039/b900308h","","","0.71073","MoKα","","0.0957","0.0616","","","0.1481","0.162","","","","","","0.954","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200885","17.757","0.002","15.0645","0.0019","25.115","0.003","90","","90","","90","","6718.3","1.4","293","2","293","2","","","","","","","","7","P c a 21","P 2c -2ac","29","((AgL1)(AgCF3CO2)4(H2O)(CH3CH2CN))2","","","- C40 H26 Ag10 F24 I2 N2 O20 -","- C40 H26 Ag10 F24 I2 N2 O20 -","- C160 H104 Ag40 F96 I8 N8 O80 -","4","1","","Zang, Shuang-Quan; Cheng, Ping-Shing; Mak, Thomas C. W.","Silver⋯X‒aryl (X = I and Br) interaction in a network assembly with a flexible polynuclear silver‒ethynide supramolecular synthon","CrystEngComm","2009","11","6","1061","","10.1039/b900308h","","","0.71073","MoKα","","0.0622","0.0442","","","0.1084","0.115","","","","","","1.02","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200886","13.24","0.002","13.503","0.002","14.691","0.002","112.816","0.003","98.832","0.003","113.477","0.003","2067.9","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","((AgL2)(AgCF3CO2)6(H2O)3)H2O","","","- C21 H14 Ag7 Br F18 O17 -","- C21 H14 Ag7 Br F18 O17 -","- C42 H28 Ag14 Br2 F36 O34 -","2","1","","Zang, Shuang-Quan; Cheng, Ping-Shing; Mak, Thomas C. W.","Silver⋯X‒aryl (X = I and Br) interaction in a network assembly with a flexible polynuclear silver‒ethynide supramolecular synthon","CrystEngComm","2009","11","6","1061","","10.1039/b900308h","","","0.71073","MoKα","","0.0579","0.0497","","","0.1361","0.1415","","","","","","1.05","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200887","17.284","0.003","15.081","0.002","24.44","0.004","90","","90","","90","","6370.5","1.7","293","2","293","2","","","","","","","","7","P c a 21","P 2c -2ac","29","((AgL2)(AgCF3CO2)4(H2O)(CH3CN))2","","","- C38 H22 Ag10 Br2 F24 N2 O20 -","- C38 H22 Ag10 Br2 F24 N2 O20 -","- C152 H88 Ag40 Br8 F96 N8 O80 -","4","1","","Zang, Shuang-Quan; Cheng, Ping-Shing; Mak, Thomas C. W.","Silver⋯X‒aryl (X = I and Br) interaction in a network assembly with a flexible polynuclear silver‒ethynide supramolecular synthon","CrystEngComm","2009","11","6","1061","","10.1039/b900308h","","","0.71073","MoKα","","0.0912","0.0433","","","0.0924","0.1164","","","","","","1.014","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200888","25.0572","0.0007","16.6588","0.0007","15.0668","0.0005","90","","99.086","0.001","90","","6210.3","0.4","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","((AgL2)(AgC2F5CO2)3(CH3CN))","","","- C20 H9 Ag4 Br F15 N O7 -","- C20 H9 Ag4 Br F15 N O7 -","- C160 H72 Ag32 Br8 F120 N8 O56 -","8","1","","Zang, Shuang-Quan; Cheng, Ping-Shing; Mak, Thomas C. W.","Silver⋯X‒aryl (X = I and Br) interaction in a network assembly with a flexible polynuclear silver‒ethynide supramolecular synthon","CrystEngComm","2009","11","6","1061","","10.1039/b900308h","","","0.71073","MoKα","","0.0485","0.0392","","","0.1194","0.127","","","","","","1.095","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200889","14.598","0.004","7.3645","0.0018","19.757","0.005","90","","98.849","0.004","90","","2098.7","0.9","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 Ag Eu N2 O14 -","- C14 H18 Ag Eu N2 O14 -","- C56 H72 Ag4 Eu4 N8 O56 -","4","1","","Zhao, Xiao-Qing; Zhao, Bin; Shi, Wei; Cheng, Peng","Structures and luminescent properties of a series of Ln‒Ag heterometallic coordination polymers","CrystEngComm","2009","11","7","1261","","10.1039/b900430k","","","0.71073","MoKα","","0.0711","0.0573","","","0.1401","0.1496","","","","","","1.062","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200890","25.244","0.003","10.7134","0.0013","18.651","0.002","90","","122.111","0.002","90","","4272.5","0.9","294","2","294","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C41 H31 Ag2 Ce N7 O13 -","- C41 H29 Ag2 Ce N7 O13 -","- C164 H116 Ag8 Ce4 N28 O52 -","4","0.5","","Zhao, Xiao-Qing; Zhao, Bin; Shi, Wei; Cheng, Peng","Structures and luminescent properties of a series of Ln‒Ag heterometallic coordination polymers","CrystEngComm","2009","11","7","1261","","10.1039/b900430k","","","0.71073","MoKα","","0.0501","0.0328","","","0.0652","0.0729","","","","","","1.024","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200891","14.8009","0.0016","10.7176","0.0011","12.8757","0.0014","90","","99.468","0.002","90","","2014.7","0.4","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 Ag N2 O13.5 Pr -","- C14 H15 Ag N2 O13.5 Pr -","- C56 H60 Ag4 N8 O54 Pr4 -","4","1","","Zhao, Xiao-Qing; Zhao, Bin; Shi, Wei; Cheng, Peng","Structures and luminescent properties of a series of Ln‒Ag heterometallic coordination polymers","CrystEngComm","2009","11","7","1261","","10.1039/b900430k","","","0.71073","MoKα","","0.0415","0.0315","","","0.0787","0.0832","","","","","","1.04","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7200892","14.621","0.002","7.3491","0.001","19.765","0.003","90","","98.776","0.002","90","","2098.9","0.5","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 Ag N2 O14 Sm -","- C14 H18 Ag N2 O14 Sm -","- C56 H72 Ag4 N8 O56 Sm4 -","4","1","","Zhao, Xiao-Qing; Zhao, Bin; Shi, Wei; Cheng, Peng","Structures and luminescent properties of a series of Ln‒Ag heterometallic coordination polymers","CrystEngComm","2009","11","7","1261","","10.1039/b900430k","","","0.71073","MoKα","","0.054","0.0446","","","0.1085","0.1143","","","","","","1.007","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200893","14.5183","0.0017","7.364","0.0009","19.696","0.002","90","","99.02","0.002","90","","2079.7","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 Ag Dy N2 O14 -","- C14 H18 Ag Dy N2 O14 -","- C56 H72 Ag4 Dy4 N8 O56 -","4","1","","Zhao, Xiao-Qing; Zhao, Bin; Shi, Wei; Cheng, Peng","Structures and luminescent properties of a series of Ln‒Ag heterometallic coordination polymers","CrystEngComm","2009","11","7","1261","","10.1039/b900430k","","","0.71073","MoKα","","0.042","0.0283","","","0.0557","0.0588","","","","","","1.075","","","","has coordinates,has disorder","180339","2020-10-21","18:00:00",""
"7200894","14.4474","0.0017","7.36","0.0008","19.48","0.003","90","","98.416","0.006","90","","2049.1","0.5","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 Ag N2 O14 Tb -","- C14 H18 Ag N2 O14 Tb -","- C56 H72 Ag4 N8 O56 Tb4 -","4","1","","Zhao, Xiao-Qing; Zhao, Bin; Shi, Wei; Cheng, Peng","Structures and luminescent properties of a series of Ln‒Ag heterometallic coordination polymers","CrystEngComm","2009","11","7","1261","","10.1039/b900430k","","","0.7107","MoKα","","0.0377","0.0308","","","0.0765","0.0798","","","","","","1.072","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200895","14.656","0.003","7.3077","0.0015","19.705","0.004","90","","97.71","0.03","90","","2091.4","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 Ag Ce N2 O14 -","- C14 H18 Ag Ce N2 O14 -","- C56 H72 Ag4 Ce4 N8 O56 -","4","1","","Zhao, Xiao-Qing; Zhao, Bin; Shi, Wei; Cheng, Peng","Structures and luminescent properties of a series of Ln‒Ag heterometallic coordination polymers","CrystEngComm","2009","11","7","1261","","10.1039/b900430k","","","0.71073","MoKα","","0.0302","0.0261","","","0.0606","0.0625","","","","","","1.084","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200896","14.582","0.003","7.3325","0.0015","19.606","0.004","90","","97.99","0.03","90","","2076","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 Ag N2 Nd O14 -","- C14 H18 Ag N2 Nd O14 -","- C56 H72 Ag4 N8 Nd4 O56 -","4","1","","Zhao, Xiao-Qing; Zhao, Bin; Shi, Wei; Cheng, Peng","Structures and luminescent properties of a series of Ln‒Ag heterometallic coordination polymers","CrystEngComm","2009","11","7","1261","","10.1039/b900430k","","","0.71073","MoKα","","0.0304","0.0288","","","0.0685","0.0697","","","","","","1.052","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200897","9.5049","0.0003","9.5049","0.0003","6.9484","0.0006","90","","90","","120","","543.64","0.05","173","2","173","2","","","","","","","","6","P 63","P 6c","173","","","","- Bi2.5 F0.1 H0.9 Na2.5 O12.9 P3 -","- Bi2.502 F0.1 Na2.498 O12.9 P3 -","- Bi5.004 F0.2 Na4.996 O25.8 P6 -","2","0.333333","","Zhou, Yan; Huang, Ya-Xi; Pan, Yuanming; Mi, Jin-Xiao","Single-crystal microtubes of a novel apatite-type compound, (Na2.5Bi2.5)(PO4)3(F,OH), with well-faceted hexagonal cross sections","CrystEngComm","2009","11","9","1863","","10.1039/b900499h","","","0.71073","MoKα","","0.1073","0.0646","","","0.1065","0.1147","","","","","","1.145","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7200898","20.09","0.002","6.0758","0.0007","20.626","0.002","90","","111.267","0.002","90","","2346.2","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 Ce2 O17 -","- C18 H18 Ce2 O17 -","- C72 H72 Ce8 O68 -","4","0.5","","Yang, Qing-Feng; Yu, Yang; Song, Tian-You; Yu, Jie-Hui; Zhang, Xiao; Xu, Ji-Qing; Wang, Tie-Gang","2D and 3D networks of lanthanide with mixed dicarboxylate ligands: syntheses, crystal structures and photoluminescent properties","CrystEngComm","2009","11","8","1642","","10.1039/b900522f","","","0.71073","MoKα","","0.0392","0.036","","","0.0959","0.0976","","","","","","1.057","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200899","19.9212","0.0019","6.0431","0.0005","20.525","0.0018","90","","111.164","0.003","90","","2304.3","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 O17 Pr2 -","- C18 H10 O17 Pr2 -","- C72 H40 O68 Pr8 -","4","0.5","","Yang, Qing-Feng; Yu, Yang; Song, Tian-You; Yu, Jie-Hui; Zhang, Xiao; Xu, Ji-Qing; Wang, Tie-Gang","2D and 3D networks of lanthanide with mixed dicarboxylate ligands: syntheses, crystal structures and photoluminescent properties","CrystEngComm","2009","11","8","1642","","10.1039/b900522f","","","0.71073","MoKα","","0.0361","0.0307","","","0.0731","0.0748","","","","","","1.089","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200900","19.831","0.0018","6.0329","0.0005","20.4964","0.0019","90","","111.096","0.002","90","","2287.8","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 Nd2 O17 -","- C18 H18 Nd2 O17 -","- C72 H72 Nd8 O68 -","4","0.5","","Yang, Qing-Feng; Yu, Yang; Song, Tian-You; Yu, Jie-Hui; Zhang, Xiao; Xu, Ji-Qing; Wang, Tie-Gang","2D and 3D networks of lanthanide with mixed dicarboxylate ligands: syntheses, crystal structures and photoluminescent properties","CrystEngComm","2009","11","8","1642","","10.1039/b900522f","","","0.71073","MoKα","","0.0291","0.0236","","","0.0495","0.0509","","","","","","1.075","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200901","19.697","0.004","6.0193","0.0012","20.472","0.004","90","","110.89","0.03","90","","2267.7","0.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 O17 Sm2 -","- C18 H18 O17 Sm2 -","- C72 H72 O68 Sm8 -","4","0.5","","Yang, Qing-Feng; Yu, Yang; Song, Tian-You; Yu, Jie-Hui; Zhang, Xiao; Xu, Ji-Qing; Wang, Tie-Gang","2D and 3D networks of lanthanide with mixed dicarboxylate ligands: syntheses, crystal structures and photoluminescent properties","CrystEngComm","2009","11","8","1642","","10.1039/b900522f","","","0.71073","MoKα","","0.0315","0.028","","","0.0606","0.0619","","","","","","1.059","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200902","19.6326","0.0012","6.0048","0.0004","20.4684","0.0017","90","","110.895","0.004","90","","2254.3","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 Eu2 O17 -","- C18 H18 Eu2 O17 -","- C72 H72 Eu8 O68 -","4","0.5","","Yang, Qing-Feng; Yu, Yang; Song, Tian-You; Yu, Jie-Hui; Zhang, Xiao; Xu, Ji-Qing; Wang, Tie-Gang","2D and 3D networks of lanthanide with mixed dicarboxylate ligands: syntheses, crystal structures and photoluminescent properties","CrystEngComm","2009","11","8","1642","","10.1039/b900522f","","","0.71073","MoKα","","0.0377","0.0336","","","0.0862","0.0884","","","","","","1.058","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200903","19.556","0.004","5.9957","0.0012","20.412","0.004","90","","110.82","0.03","90","","2237.1","0.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 Gd2 O17 -","- C18 H18 Gd2 O17 -","- C72 H72 Gd8 O68 -","4","0.5","","Yang, Qing-Feng; Yu, Yang; Song, Tian-You; Yu, Jie-Hui; Zhang, Xiao; Xu, Ji-Qing; Wang, Tie-Gang","2D and 3D networks of lanthanide with mixed dicarboxylate ligands: syntheses, crystal structures and photoluminescent properties","CrystEngComm","2009","11","8","1642","","10.1039/b900522f","","","0.71073","MoKα","","0.0212","0.0193","","","0.0478","0.0599","","","","","","1.031","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200904","6.6743","0.0004","7.6033","0.0005","11.003","0.0006","100.21","0.004","103.892","0.004","106.921","0.004","499.87","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H3 K O9 Tb -","- C7 H3 K O9 Tb -","- C14 H6 K2 O18 Tb2 -","2","1","","Yang, Qing-Feng; Yu, Yang; Song, Tian-You; Yu, Jie-Hui; Zhang, Xiao; Xu, Ji-Qing; Wang, Tie-Gang","2D and 3D networks of lanthanide with mixed dicarboxylate ligands: syntheses, crystal structures and photoluminescent properties","CrystEngComm","2009","11","8","1642","","10.1039/b900522f","","","0.71073","MoKα","","0.0261","0.024","","","0.0609","0.0619","","","","","","1.055","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200905","6.656","0.0002","7.5778","0.0003","10.9904","0.0003","100.325","0.002","103.827","0.002","106.904","0.002","496.21","0.03","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H3 Dy K O9 -","- C7 H3 Dy K O9 -","- C14 H6 Dy2 K2 O18 -","2","1","","Yang, Qing-Feng; Yu, Yang; Song, Tian-You; Yu, Jie-Hui; Zhang, Xiao; Xu, Ji-Qing; Wang, Tie-Gang","2D and 3D networks of lanthanide with mixed dicarboxylate ligands: syntheses, crystal structures and photoluminescent properties","CrystEngComm","2009","11","8","1642","","10.1039/b900522f","","","0.71073","MoKα","","0.029","0.0249","","","0.0556","0.0568","","","","","","1","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200906","10.4541","0.0007","11.7756","0.0008","12.3649","0.0009","93.806","0.001","112.65","0.001","98.558","0.001","1376.3","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H18 Ce2 K O17 -","- C25 H12 Ce2 K O17 -","- C50 H24 Ce4 K2 O34 -","2","1","","Yang, Qing-Feng; Yu, Yang; Song, Tian-You; Yu, Jie-Hui; Zhang, Xiao; Xu, Ji-Qing; Wang, Tie-Gang","2D and 3D networks of lanthanide with mixed dicarboxylate ligands: syntheses, crystal structures and photoluminescent properties","CrystEngComm","2009","11","8","1642","","10.1039/b900522f","","","0.71073","MoKα","","0.04","0.0348","","","0.097","0.1072","","","","","","1.108","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200907","10.3647","0.0007","11.5338","0.0008","12.2664","0.0008","82.082","0.001","65.019","0.001","84.319","0.001","1315.16","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H18 K O17 Pr2 -","- C25 H12 K O17 Pr2 -","- C50 H24 K2 O34 Pr4 -","2","1","","Yang, Qing-Feng; Yu, Yang; Song, Tian-You; Yu, Jie-Hui; Zhang, Xiao; Xu, Ji-Qing; Wang, Tie-Gang","2D and 3D networks of lanthanide with mixed dicarboxylate ligands: syntheses, crystal structures and photoluminescent properties","CrystEngComm","2009","11","8","1642","","10.1039/b900522f","","","0.71073","MoKα","","0.0344","0.0302","","","0.0878","0.0907","","","","","","1.09","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200908","8.954","0.002","22.026","0.005","13.64","0.003","90","","95.57","0.004","90","","2677.4","1","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H26 N3 O25 Yb2 -","- C12 H26 N3 O25 Yb2 -","- C48 H104 N12 O100 Yb8 -","4","1","","Quan, Ying-Ping; Zhao, Li-Hua; Yang, Ai-Hong; Cui, Jian-Zhong; Gao, Hong-Ling; Lu, Fan-Li; Shi, Wei; Cheng, Peng","Novel lanthanide coordination polymers based on bis-tridentate chelator pyrazine-2,3,5,6-tetracarboxylate with nano-channels and water clusters","CrystEngComm","2009","11","8","1679","","10.1039/b900618d","","","0.7107","MoKα","","0.048","0.0438","","","0.0992","0.1012","","","","","","1.16","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200909","9.1432","0.0018","22.304","0.005","13.692","0.003","90","","90.43","0.03","90","","2792.1","1","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H27 Lu2 N3 O25.5 -","- C12 H12 Lu2 N3 O25.5 -","- C48 H48 Lu8 N12 O102 -","4","1","","Quan, Ying-Ping; Zhao, Li-Hua; Yang, Ai-Hong; Cui, Jian-Zhong; Gao, Hong-Ling; Lu, Fan-Li; Shi, Wei; Cheng, Peng","Novel lanthanide coordination polymers based on bis-tridentate chelator pyrazine-2,3,5,6-tetracarboxylate with nano-channels and water clusters","CrystEngComm","2009","11","8","1679","","10.1039/b900618d","","","0.71073","MoKα","","0.0947","0.0797","","","0.2048","0.2165","","","","","","1.063","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7200910","8.9399","0.0018","22.103","0.004","13.693","0.003","90","","95.46","0.03","90","","2693.4","0.9","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H26 Er2 N3 O25 -","- C12 H26 Er2 N3 O25 -","- C48 H104 Er8 N12 O100 -","4","1","","Quan, Ying-Ping; Zhao, Li-Hua; Yang, Ai-Hong; Cui, Jian-Zhong; Gao, Hong-Ling; Lu, Fan-Li; Shi, Wei; Cheng, Peng","Novel lanthanide coordination polymers based on bis-tridentate chelator pyrazine-2,3,5,6-tetracarboxylate with nano-channels and water clusters","CrystEngComm","2009","11","8","1679","","10.1039/b900618d","","","0.71073","MoKα","","0.0409","0.0373","","","0.0749","0.0767","","","","","","1.133","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200915","8.4438","0.0003","10.0791","0.0004","19.41","0.0006","90","","92.264","0.001","90","","1650.62","0.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H9 Ag Cu2 N2 O12 -","- C14 H9 Ag Cu2 N2 O12 -","- C56 H36 Ag4 Cu8 N8 O48 -","4","1","","Zou, Jian-Ping; Zhou, Guo-Wei; Zhang, Xing; Wang, Ming-Sheng; Lu, Ying-Bing; Zhou, Wei-Wei; Zhang, Zhang-Jing; Guo, Guo-Cong; Huang, Jin-Shun","A novel heterometal‒organic coordination polymer with chelidamic acid: nonlinear optical and magnetic properties,","CrystEngComm","2009","11","6","972","","10.1039/b900727j","","","0.71073","MoKα","","0.0382","0.0301","","","0.0747","0.0795","","","","","","1.009","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200917","22.763","0.003","4.9872","0.0005","13.6097","0.0015","90","","95.969","0.002","90","","1536.6","0.3","120","2","120","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C21 H14 O2 S -","- C21 H14 O2 S -","- C84 H56 O8 S4 -","4","1","","Imai, Yoshitane; Kinuta, Takafumi; Nagasaki, Keiko; Harada, Takunori; Sato, Tomohiro; Tajima, Nobuo; Sasaki, Yoh; Kuroda, Reiko; Matsubara, Yoshio","Conformational and color polymorphism of achiral 2-methyl-3-(2-naphthalenylthio)-1,4-naphthalenedione","CrystEngComm","2009","11","7","1223","","10.1039/b900806c","","","0.71073","MoKα","","0.0561","0.0472","","","0.1192","0.1259","","","","","","1.062","","","","has coordinates,has disorder","180340","2020-10-21","18:00:00",""
"7200918","8.0141","0.0017","5.8339","0.0012","16.979","0.004","90","","97.228","0.003","90","","787.5","0.3","115","2","115","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H14 O2 S -","- C21 H14 O2 S -","- C42 H28 O4 S2 -","2","1","","Imai, Yoshitane; Kinuta, Takafumi; Nagasaki, Keiko; Harada, Takunori; Sato, Tomohiro; Tajima, Nobuo; Sasaki, Yoh; Kuroda, Reiko; Matsubara, Yoshio","Conformational and color polymorphism of achiral 2-methyl-3-(2-naphthalenylthio)-1,4-naphthalenedione","CrystEngComm","2009","11","7","1223","","10.1039/b900806c","","","0.71073","MoKα","","0.0458","0.0402","","","0.0933","0.0968","","","","","","1.024","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200920","8.1953","0.0014","16.005","0.003","12.769","0.002","90","","99.83","0.003","90","","1650.3","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H25 N O2 -","- C20 H25 N O2 -","- C80 H100 N4 O8 -","4","1","","Jacobs, Tia; Lloyd, Gareth O.; Bredenkamp, Martin W.; Barbour, Leonard J.","Breaking the trigonal host packing motif of Dianin's compound","CrystEngComm","2009","11","8","1545","","10.1039/b900954j","","","0.71073","MoKα","","0.0711","0.0509","","","0.1002","0.1072","","","","","","0.958","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200921","15.436","0.0018","12.9411","0.0015","10.3343","0.0012","90","","100.8","0.002","90","","2027.8","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H31 N O2 -","- C23 H31 N O2 -","- C92 H124 N4 O8 -","4","1","","Jacobs, Tia; Lloyd, Gareth O.; Bredenkamp, Martin W.; Barbour, Leonard J.","Breaking the trigonal host packing motif of Dianin's compound","CrystEngComm","2009","11","8","1545","","10.1039/b900954j","","","0.71073","MoKα","","0.064","0.0477","","","0.1154","0.1226","","","","","","0.984","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200931","11.321","0.002","11.321","0.002","19.872","0.003","90","0.005","90","0.005","120","0.005","2205.7","0.7","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C20 H26 N8 O14 Zn3 -","- C20 H16 N8 O14 Zn3 -","- C60 H48 N24 O42 Zn9 -","3","0.5","","Xu, Yan-Hong; Lan, Ya-Qian; Wu, Shui-Xing; Shao, Kui-Zhan; Su, Zhong-Min; Liao, Yi","Unprecedented interweaving of single-helical chains into a chiral metal‒organic framework based on a flexible ligand","CrystEngComm","2009","11","8","1711","","10.1039/b901042d","","","0.71069","MoKα","","0.0652","0.0521","","","0.1397","0.1521","","","","","","1.033","","","","has coordinates,has disorder","180340","2020-10-21","18:00:00",""
"7200932","36.367","0.0016","9.2645","0.0003","16.8012","0.0007","90","","109.829","0.002","90","","5325.1","0.4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H13 N3 O -","- C16 H13 N3 O -","- C256 H208 N48 O16 -","16","2","","Baudron, Stéphane A.; Salazar-Mendoza, Domingo; Hosseini, Mir Wais","Combination of primary amide and dipyrrin for the elaboration of extended architectures built upon both coordination and hydrogen bonding","CrystEngComm","2009","11","7","1245","","10.1039/b901167f","","","0.71073","MoKα","","0.0958","0.0555","","","0.1234","0.1534","","","","","","1.028","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200933","8.313","0.0003","9.5783","0.0003","9.802","0.0003","80.064","0.002","65.596","0.002","74.133","0.002","682.08","0.04","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H15 N3 O -","- C16 H15 N3 O -","- C32 H30 N6 O2 -","2","1","","Baudron, Stéphane A.; Salazar-Mendoza, Domingo; Hosseini, Mir Wais","Combination of primary amide and dipyrrin for the elaboration of extended architectures built upon both coordination and hydrogen bonding","CrystEngComm","2009","11","7","1245","","10.1039/b901167f","","","0.71073","MoKα","","0.0604","0.0444","","","0.1167","0.1456","","","","","","1.11","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200934","22.9322","0.0012","15.8716","0.0008","10.2807","0.0005","90","","105.494","0.001","90","","3605.9","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H40 Cu N6 O4 -","- C40 H40 Cu N6 O4 -","- C160 H160 Cu4 N24 O16 -","4","0.5","","Baudron, Stéphane A.; Salazar-Mendoza, Domingo; Hosseini, Mir Wais","Combination of primary amide and dipyrrin for the elaboration of extended architectures built upon both coordination and hydrogen bonding","CrystEngComm","2009","11","7","1245","","10.1039/b901167f","","","0.71073","MoKα","","0.0661","0.0521","","","0.1398","0.1628","","","","","","1.103","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200935","22.9849","0.0016","16.1578","0.0013","10.2185","0.0008","90","","106.103","0.003","90","","3646.1","0.5","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H26 Cl6 Cu N6 O2 -","- C34 H26 Cl6 Cu N6 O2 -","- C136 H104 Cl24 Cu4 N24 O8 -","4","0.5","","Baudron, Stéphane A.; Salazar-Mendoza, Domingo; Hosseini, Mir Wais","Combination of primary amide and dipyrrin for the elaboration of extended architectures built upon both coordination and hydrogen bonding","CrystEngComm","2009","11","7","1245","","10.1039/b901167f","","","0.71073","MoKα","","0.1315","0.0615","","","0.1498","0.2011","","","","","","0.98","","","","has coordinates,has disorder","180340","2020-10-21","18:00:00",""
"7200936","9.9609","0.0003","13.6458","0.0003","14.1783","0.0003","103.315","0.001","97.276","0.002","95.44","0.002","1844.87","0.08","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H40 N6 O6 Zn -","- C40 H40 N6 O6 Zn -","- C80 H80 N12 O12 Zn2 -","2","1","","Baudron, Stéphane A.; Salazar-Mendoza, Domingo; Hosseini, Mir Wais","Combination of primary amide and dipyrrin for the elaboration of extended architectures built upon both coordination and hydrogen bonding","CrystEngComm","2009","11","7","1245","","10.1039/b901167f","","","0.71073","MoKα","","0.092","0.0642","","","0.1489","0.1781","","","","","","1.033","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200937","13.536","0.0008","13.8314","0.0004","14.2718","0.0004","111.843","0.001","102.397","0.002","104.374","0.002","2258.1","0.17","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H50 Cu2 N6 O9 -","- C48 H50 Cu2 N6 O9 -","- C96 H100 Cu4 N12 O18 -","2","1","","Baudron, Stéphane A.; Salazar-Mendoza, Domingo; Hosseini, Mir Wais","Combination of primary amide and dipyrrin for the elaboration of extended architectures built upon both coordination and hydrogen bonding","CrystEngComm","2009","11","7","1245","","10.1039/b901167f","","","0.71073","MoKα","","0.0698","0.0459","","","0.1163","0.1431","","","","","","1.116","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200938","13.4382","0.0005","21.1339","0.0008","12.3217","0.0004","90","","114.358","0.001","90","","3187.9","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H27 Cl3 Co N5 O3 -","- C33 H27 Cl3 Co N5 O3 -","- C132 H108 Cl12 Co4 N20 O12 -","4","1","","Baudron, Stéphane A.; Salazar-Mendoza, Domingo; Hosseini, Mir Wais","Combination of primary amide and dipyrrin for the elaboration of extended architectures built upon both coordination and hydrogen bonding","CrystEngComm","2009","11","7","1245","","10.1039/b901167f","","","0.71073","MoKα","","0.1305","0.0881","","","0.2598","0.293","","","","","","1.06","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200939","23.4552","0.0004","17.1577","0.0003","17.1153","0.0003","90","","90","","90","","6887.8","0.2","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C36.5 H35 Co N5 O4.5 -","- C36.5 H35 Co N5 O4.5 -","- C292 H280 Co8 N40 O36 -","8","1","","Baudron, Stéphane A.; Salazar-Mendoza, Domingo; Hosseini, Mir Wais","Combination of primary amide and dipyrrin for the elaboration of extended architectures built upon both coordination and hydrogen bonding","CrystEngComm","2009","11","7","1245","","10.1039/b901167f","","","0.71073","MoKα","","0.0895","0.0611","","","0.1743","0.1986","","","","","","1.091","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7200940","8.587","0.0012","20.054","0.003","9.8062","0.0013","90","","90.701","0.003","90","","1688.5","0.4","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 Li2 O10 P2 Zn2 -","- C14 H8 Li2 O10 P2 Zn2 -","- C56 H32 Li8 O40 P8 Zn8 -","4","1","","Li, Jin-Tang; Guo, Li-Rong; Shen, Yang; Zheng, Li-Min","LiF-assisted crystallization of zinc 4-carboxyphenylphosphonates with pillared layered structures","CrystEngComm","2009","11","8","1674","","10.1039/b901332f","","","0.71073","MoKα","","0.074","0.0458","","","0.0945","0.0989","","","","","","1.004","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7200941","5.8011","0.001","19.139","0.004","8.5616","0.0015","90","","102.086","0.004","90","","929.5","0.3","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H4 F O5 P Zn2 -","- C7 H4 F O5 P Zn2 -","- C28 H16 F4 O20 P4 Zn8 -","4","1","","Li, Jin-Tang; Guo, Li-Rong; Shen, Yang; Zheng, Li-Min","LiF-assisted crystallization of zinc 4-carboxyphenylphosphonates with pillared layered structures","CrystEngComm","2009","11","8","1674","","10.1039/b901332f","","","0.71073","MoKα","","0.0741","0.0564","","","0.1187","0.1253","","","","","","1.075","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7200942","10.444","0.002","11.213","0.002","12.233","0.002","79.66","0.03","71.61","0.03","87.54","0.03","1337.2","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H52 Co La2 N4 O24 S4 -","- C38 H52 Co La2 N4 O24 S4 -","- C38 H52 Co La2 N4 O24 S4 -","1","0.5","","Chen, Wen-Xian; Ren, Yan-Ping; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Ionothermal synthesis of 3d‒4f and 4f layered anionic metal‒organic frameworks","CrystEngComm","2009","11","8","1522","","10.1039/b901404g","","","0.71073","MoKα","","0.0466","0.0426","","","0.1193","0.1255","","","","","","1.088","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200943","24.509","0.006","9.835","0.002","7.5626","0.0019","90","","90","","90","","1822.9","0.7","123","2","123","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C14 H14 Br Cl La N3 O6 -","- C14 H14 Br Cl La N3 O6 -","- C56 H56 Br4 Cl4 La4 N12 O24 -","4","1","","Chen, Wen-Xian; Ren, Yan-Ping; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Ionothermal synthesis of 3d‒4f and 4f layered anionic metal‒organic frameworks","CrystEngComm","2009","11","8","1522","","10.1039/b901404g","","","0.71073","MoKα","","0.0627","0.0546","","","0.1328","0.138","","","","","","1.1","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200944","11.2948","0.0002","9.6915","0.0002","10.2869","0.0003","90","","97.856","0.001","90","","1115.47","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H7 N3 O4 Zn -","- C10 H7 N3 O4 Zn -","- C40 H28 N12 O16 Zn4 -","4","1","","Song, Zhe; Gao, Hongze; Li, Guanghua; Yu, Yang; Shi, Zhan; Feng, Shouhua","Influence of noncovalent intermolecular interactions on crystal packing: syntheses and crystal structures of three layered Zn(ii)/1,2,4-triazole/carboxylate coordination polymers","CrystEngComm","2009","11","8","1579","","10.1039/b901445d","","","0.71073","MoKα","","0.0281","0.0216","","","0.0587","0.062","","","","","","1.031","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7200945","9.7277","0.0003","9.7907","0.0003","23.6034","0.001","78.835","0.002","78.848","0.002","88.953","0.002","2163.39","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 F4 N12 O8.5 Zn4 -","- C36 H24 F4 N12 O8.5 Zn4 -","- C72 H48 F8 N24 O17 Zn8 -","2","1","","Song, Zhe; Gao, Hongze; Li, Guanghua; Yu, Yang; Shi, Zhan; Feng, Shouhua","Influence of noncovalent intermolecular interactions on crystal packing: syntheses and crystal structures of three layered Zn(ii)/1,2,4-triazole/carboxylate coordination polymers","CrystEngComm","2009","11","8","1579","","10.1039/b901445d","","","0.71073","MoKα","","0.1204","0.0656","","","0.169","0.2021","","","","","","1.043","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7200946","13.7305","0.0009","13.7537","0.0012","23.967","0.002","90","","92.89","0.005","90","","4520.3","0.6","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C36 H24 Cl4 N12 O8 Zn4 -","- C36 H24 Cl4 N12 O8 Zn4 -","- C144 H96 Cl16 N48 O32 Zn16 -","4","1","","Song, Zhe; Gao, Hongze; Li, Guanghua; Yu, Yang; Shi, Zhan; Feng, Shouhua","Influence of noncovalent intermolecular interactions on crystal packing: syntheses and crystal structures of three layered Zn(ii)/1,2,4-triazole/carboxylate coordination polymers","CrystEngComm","2009","11","8","1579","","10.1039/b901445d","","","0.71073","MoKα","","0.0782","0.0608","","","0.1487","0.1621","","","","","","1.024","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7200947","5.749","0.003","6.541","0.003","9.903","0.005","80.4","0.02","78.7","0.02","71.71","0.03","344.5","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","1","","- C12 H20 N2 O6 -","- C12 H20 N2 O6 -","- C12 H20 N2 O6 -","1","0.5","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","Co-crystallisation of organic α,ω-dicarboxylic acids with the cyclic amides 2-pyrrolidinone and 2-imidazolidinone","CrystEngComm","2009","11","8","1609","","10.1039/b901453e","","","0.71073","MoKα","","0.1812","0.0722","","","0.1665","0.2185","","","","","","0.984","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200948","5.1062","0.0011","18.198","0.004","10.432","0.002","90","","97.06","0.002","90","","962","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","10","","- C7 H12 N2 O7 -","- C7 H12 N2 O7 -","- C28 H48 N8 O28 -","4","1","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","Co-crystallisation of organic α,ω-dicarboxylic acids with the cyclic amides 2-pyrrolidinone and 2-imidazolidinone","CrystEngComm","2009","11","8","1609","","10.1039/b901453e","","","0.671","synchrotron","","0.0668","0.0439","","","0.1082","0.1202","","","","","","1.029","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200949","31.3779","0.0013","12.3307","0.0006","7.16","0.0003","90","","92.968","0.002","90","","2766.6","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","11","","- C11 H14 N2 O9 -","- C11 H14 N2 O9 -","- C88 H112 N16 O72 -","8","2","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","Co-crystallisation of organic α,ω-dicarboxylic acids with the cyclic amides 2-pyrrolidinone and 2-imidazolidinone","CrystEngComm","2009","11","8","1609","","10.1039/b901453e","","","0.71073","MoKα","","0.2044","0.1184","","","0.1928","0.2395","","","","","","1.064","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200950","11.6287","0.0003","5.1904","0.0002","11.9417","0.0003","90","","108.971","0.002","90","","681.62","0.04","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2","","- C12 H18 N2 O6 -","- C12 H18 N2 O6 -","- C24 H36 N4 O12 -","2","0.5","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","Co-crystallisation of organic α,ω-dicarboxylic acids with the cyclic amides 2-pyrrolidinone and 2-imidazolidinone","CrystEngComm","2009","11","8","1609","","10.1039/b901453e","","","0.71073","MoKα","","0.0717","0.0531","","","0.1011","0.1107","","","","","","1.089","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200951","8.322","0.004","11.203","0.005","11.915","0.005","90","","97.79","0.03","90","","1100.6","0.9","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3","","- C8 H14 N4 O6 -","- C8 H14 N4 O6 -","- C32 H56 N16 O24 -","4","1","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","Co-crystallisation of organic α,ω-dicarboxylic acids with the cyclic amides 2-pyrrolidinone and 2-imidazolidinone","CrystEngComm","2009","11","8","1609","","10.1039/b901453e","","","0.71073","MoKα","","0.2012","0.1421","","","0.2116","0.2343","","","","","","1.243","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200952","5.5097","0.0015","9.529","0.002","13.03","0.003","104.839","0.003","91.938","0.003","95.093","0.003","657.5","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","4","","- C10 H18 N4 O6 -","- C10 H18 N4 O6 -","- C20 H36 N8 O12 -","2","1","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","Co-crystallisation of organic α,ω-dicarboxylic acids with the cyclic amides 2-pyrrolidinone and 2-imidazolidinone","CrystEngComm","2009","11","8","1609","","10.1039/b901453e","","","0.6905","synchrotron","","0.0626","0.0507","","","0.1386","0.1486","","","","","","1.035","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200953","7.7814","0.0003","22.3584","0.0011","9.1957","0.0005","90","","103.329","0.003","90","","1556.77","0.13","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5","","- C12 H22 N4 O6 -","- C12 H22 N4 O6 -","- C48 H88 N16 O24 -","4","1","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","Co-crystallisation of organic α,ω-dicarboxylic acids with the cyclic amides 2-pyrrolidinone and 2-imidazolidinone","CrystEngComm","2009","11","8","1609","","10.1039/b901453e","","","0.71073","MoKα","","0.1552","0.0934","","","0.1574","0.188","","","","","","1.133","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200954","16.6403","0.001","14.4382","0.0005","7.6872","0.0005","90","","117.299","0.002","90","","1641.2","0.16","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","6","","- C12 H22 N6 O7 -","- C12 H22 N6 O7 -","- C48 H88 N24 O28 -","4","0.5","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","Co-crystallisation of organic α,ω-dicarboxylic acids with the cyclic amides 2-pyrrolidinone and 2-imidazolidinone","CrystEngComm","2009","11","8","1609","","10.1039/b901453e","","","0.71073","MoKα","","0.0786","0.0473","","","0.1136","0.1295","","","","","","1.043","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200955","5.3007","0.0004","19.374","0.002","10.078","0.0009","90","","94.012","0.006","90","","1032.43","0.16","120","2","120","2","","","","","","","","4","C 1 c 1","C -2yc","9","","7","","- C8 H14 N2 O5 -","- C8 H14 N2 O5 -","- C32 H56 N8 O20 -","4","1","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","Co-crystallisation of organic α,ω-dicarboxylic acids with the cyclic amides 2-pyrrolidinone and 2-imidazolidinone","CrystEngComm","2009","11","8","1609","","10.1039/b901453e","","","0.71073","MoKα","","0.0559","0.0421","","","0.1024","0.1112","","","","","","1.07","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200956","6.8156","0.0006","12.7537","0.0012","14.1899","0.0011","90","","90","","90","","1233.44","0.19","120","2","120","2","","","","","","","","4","C m c m","-C 2c 2","63","8","8","","- C10 H18 N2 O5 -","- C10 H18 N2 O5 -","- C40 H72 N8 O20 -","4","0.25","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","Co-crystallisation of organic α,ω-dicarboxylic acids with the cyclic amides 2-pyrrolidinone and 2-imidazolidinone","CrystEngComm","2009","11","8","1609","","10.1039/b901453e","","","0.71073","MoKα","","0.0896","0.0591","","","0.1117","0.1283","","","","","","1.171","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200957","5.388","0.0013","9.921","0.003","18.265","0.005","90","","90","","90","","976.3","0.5","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","9","","- C7 H12 N2 O7 -","- C7 H12 N2 O7 -","- C28 H48 N8 O28 -","4","1","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","Co-crystallisation of organic α,ω-dicarboxylic acids with the cyclic amides 2-pyrrolidinone and 2-imidazolidinone","CrystEngComm","2009","11","8","1609","","10.1039/b901453e","","","0.6895","synchrotron","","0.0318","0.0307","","","0.0825","0.0836","","","","","","1.06","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200958","13.087","0.004","23.552","0.006","13.954","0.004","90","","97.012","0.005","90","","4269","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H50 N2 Ni O21 -","- C34 H32 N2 Ni O21 -","- C136 H128 N8 Ni4 O84 -","4","1","","Yao, Qing-Xia; Jin, Xu-Hui; Ju, Zhan-Feng; Zhang, Hai-Xia; Zhang, Jie","Supramolecular Borromean sheet consisting of threefold parallel interwoven 44-sql layers assembled by a flexible bipyridinium ligand","CrystEngComm","2009","11","8","1502","1504","10.1039/b901516g","","","0.71073","MoKα","","0.0855","0.075","","","0.2307","0.2444","","","","","","1.069","","","","has coordinates","218496","2020-10-21","18:00:00",""
"7200959","13.475","0.003","14.578","0.003","16.099","0.003","97.934","0.004","113.562","0.004","106.287","0.004","2667.7","1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C104 H82 Cu4 N16 O29 S4 -","- C104 H82 Cu4.001 N16 O29 S4 -","- C104 H82 Cu4.001 N16 O29 S4 -","1","0.5","","Wen, Gui-Lin; Wang, Yao-Yu; Zhang, Ya-Nan; Yang, Guo-Ping; Fu, Ai-Yun; Shi, Qi-Zhen","A novel polythreaded metal‒organic framework with inherent features of different side arms and five-fold interpenetration","CrystEngComm","2009","11","8","1519","","10.1039/b901529a","","","0.71073","MoKα","","0.1503","0.0602","","","0.1239","0.1516","","","","","","0.994","","","","has coordinates,has disorder","180340","2020-10-21","18:00:00",""
"7200960","26.8795","0.0012","19.1415","0.0008","21.2041","0.0009","90","","122.078","0.002","90","","9244.2","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Polymeric tetra-mu-formato-diaqua-3.5kis(4,4- bipyridyl)trizinc(ii) bis(perchlorate)dihydrate","","","- C39 H40 Cl2 N7 O20 Zn3 -","- C39 H36 Cl2 N7 O20 Zn3 -","- C312 H288 Cl16 N56 O160 Zn24 -","8","1","","Phuengphai, Pongthipun; Youngme, Sujittra; Kongsaeree, Palangpon; Pakawatchai, Chaveng; Chaichit, Narongsak; Teat, Simon J.; Gamez, Patrick; Reedijk, Jan","Drastic steric effects from, respectively, a hydrogen, a methyl and an ethyl group on the coordination network of a zinc(II)‒4,4′-bipyridine‒carboxylato ternary system","CrystEngComm","2009","11","8","1723","","10.1039/b901607d","","","0.71073","MoKα","","0.0623","0.0465","","","0.1116","0.1206","","","","","","1.03","","","","has coordinates,has disorder","180340","2020-10-21","18:00:00",""
"7200961","10.6952","0.0007","11.4831","0.0007","11.7638","0.0007","101.558","0.002","116.757","0.002","95.574","0.002","1234.58","0.14","293","2","293","2","","","","","","","","7","P -1","-P 1","2","Polymeric tetra-mu-acetato-diaqua-tris(4,4- bipyridyl)trizinc(ii) bis(hexafluorophosphate)monohydrate","","","- C38 H44 F12 N6 O12 P2 Zn3 -","- C38 H40 F12 N6 O12 P2 Zn3 -","- C38 H40 F12 N6 O12 P2 Zn3 -","1","0.5","","Phuengphai, Pongthipun; Youngme, Sujittra; Kongsaeree, Palangpon; Pakawatchai, Chaveng; Chaichit, Narongsak; Teat, Simon J.; Gamez, Patrick; Reedijk, Jan","Drastic steric effects from, respectively, a hydrogen, a methyl and an ethyl group on the coordination network of a zinc(II)‒4,4′-bipyridine‒carboxylato ternary system","CrystEngComm","2009","11","8","1723","","10.1039/b901607d","","","0.71073","MoKα","","0.0895","0.0648","","","0.1666","0.1867","","","","","","1.007","","","","has coordinates,has disorder","180340","2020-10-21","18:00:00",""
"7200962","18.506","0.004","18.838","0.004","25.568","0.005","90","","119.9","0.03","90","","7727","4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Polymeric tetra-mu-propionato-tetrakis(4,4- bipyridyl)trizinc(ii) bis(perchlorate)bis(4,4-bipyridyl)tetrahydrate","","","- C72 H76 Cl2 N12 O20 Zn3 -","- C72 H76 Cl2 N12 O20 Zn3 -","- C288 H304 Cl8 N48 O80 Zn12 -","4","1","","Phuengphai, Pongthipun; Youngme, Sujittra; Kongsaeree, Palangpon; Pakawatchai, Chaveng; Chaichit, Narongsak; Teat, Simon J.; Gamez, Patrick; Reedijk, Jan","Drastic steric effects from, respectively, a hydrogen, a methyl and an ethyl group on the coordination network of a zinc(II)‒4,4′-bipyridine‒carboxylato ternary system","CrystEngComm","2009","11","8","1723","","10.1039/b901607d","","","0.71073","MoKα","","0.0897","0.0562","","","0.1223","0.1332","","","","","","1.023","","","","has coordinates,has disorder","180340","2020-10-21","18:00:00",""
"7200965","8.4645","0.0018","9.117","0.002","11.632","0.002","110.885","0.006","90.108","0.003","104.698","0.005","807","0.3","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H26 Cl2 Mn N14 S2 -","- C19 H26 Cl2 Mn N14 S2 -","- C19 H26 Cl2 Mn N14 S2 -","1","0.5","","Zhu, Xia; Liu, Xun-Gao; Li, Bao-Long; Zhang, Yong","Solvent-controlled assembly of supramolecular isomers: 2D (4,4) network, 1D ribbons of ring, and both 2D (4,4) networks and 1D ribbons of rings polycatenated in a 3D array","CrystEngComm","2009","11","6","997","","10.1039/b901780c","","","0.71073","MoKα","","0.0791","0.0728","","","0.2019","0.208","","","","","","1.054","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200966","8.6873","0.001","8.9324","0.0011","10.5653","0.0015","82.685","0.008","84.302","0.009","70.617","0.006","765.66","0.17","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H30 Mn N16 O4 S2 -","- C20 H30 Mn N16 O4 S2 -","- C20 H30 Mn N16 O4 S2 -","1","0.5","","Zhu, Xia; Liu, Xun-Gao; Li, Bao-Long; Zhang, Yong","Solvent-controlled assembly of supramolecular isomers: 2D (4,4) network, 1D ribbons of ring, and both 2D (4,4) networks and 1D ribbons of rings polycatenated in a 3D array","CrystEngComm","2009","11","6","997","","10.1039/b901780c","","","0.71073","MoKα","","0.0476","0.0382","","","0.0882","0.094","","","","","","1.06","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200967","9.0938","0.0017","10.587","0.002","13.567","0.003","103.854","0.004","100.129","0.005","99.92","0.004","1216.6","0.4","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H48 Mn2 N28 S4 -","- C36 H48 Mn2 N28 S4 -","- C36 H48 Mn2 N28 S4 -","1","0.5","","Zhu, Xia; Liu, Xun-Gao; Li, Bao-Long; Zhang, Yong","Solvent-controlled assembly of supramolecular isomers: 2D (4,4) network, 1D ribbons of ring, and both 2D (4,4) networks and 1D ribbons of rings polycatenated in a 3D array","CrystEngComm","2009","11","6","997","","10.1039/b901780c","","","0.71073","MoKα","","0.0364","0.0305","","","0.0693","0.0722","","","","","","1.053","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200978","10.1987","0.0007","12.1765","0.0008","12.6676","0.0008","103.897","0.001","105.973","0.001","107.548","0.001","1349.43","0.16","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H29 Co2 N3 O15 -","- C22 H27 Co2 N3 O15 -","- C44 H54 Co4 N6 O30 -","2","1","","Walsh, David P.; Clérac, Rodolphe; Hearns, Nigel G. R.; Kruger, Paul E.; Schmitt, Wolfgang","Modulating topologies and magnetic properties of coordination polymers using 2,2′-bipyridine and 5-aminodiacetic isophthalic acid as ligands","CrystEngComm","2009","11","8","1666","","10.1039/b902010a","","","0.71073","MoKα","","0.0407","0.037","","","0.1061","0.1082","","","","","","1.073","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200979","10.0968","0.001","12.1101","0.0012","12.586","0.0013","103.193","0.002","106.046","0.002","107.178","0.002","1330.1","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H29 N3 Ni2 O15 -","- C22 H27 N3 Ni2 O15 -","- C44 H54 N6 Ni4 O30 -","2","1","","Walsh, David P.; Clérac, Rodolphe; Hearns, Nigel G. R.; Kruger, Paul E.; Schmitt, Wolfgang","Modulating topologies and magnetic properties of coordination polymers using 2,2′-bipyridine and 5-aminodiacetic isophthalic acid as ligands","CrystEngComm","2009","11","8","1666","","10.1039/b902010a","","","0.71073","MoKα","","0.0312","0.0285","","","0.0775","0.0787","","","","","","1.063","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200980","14.0403","0.0008","9.0493","0.0005","17.2277","0.001","90","","106.962","0.001","90","","2093.6","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 Cu N3 O8 -","- C22 H17 Cu N3 O8 -","- C88 H68 Cu4 N12 O32 -","4","1","","Walsh, David P.; Clérac, Rodolphe; Hearns, Nigel G. R.; Kruger, Paul E.; Schmitt, Wolfgang","Modulating topologies and magnetic properties of coordination polymers using 2,2′-bipyridine and 5-aminodiacetic isophthalic acid as ligands","CrystEngComm","2009","11","8","1666","","10.1039/b902010a","","","0.71073","MoKα","","0.0315","0.0271","","","0.0766","0.0778","","","","","","1.12","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200983","5.898","0.004","7.371","0.005","11.31","0.007","90","","96.064","0.002","90","","488.9","0.6","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C5 H12 Br Cu N2 S -","- C5 H14 Br Cu N2 S -","- C10 H28 Br2 Cu2 N4 S2 -","2","0.5","","Liu, Xi; Huang, Kun-Lin; Liang, Guo-Ming; Wang, Ming-Sheng; Guo, Guo-Cong","Molecular design of luminescent halogeno-thiocyano-d10 metal complexes with in situ formation of the thiocyanate ligand","CrystEngComm","2009","11","8","1615","","10.1039/b902121c","","","0.71073","MoKα","","0.0368","0.0295","","","0.0693","0.073","","","","","","1.006","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200984","5.931","0.006","7.71","0.007","11.488","0.01","101.668","0.013","95.652","0.018","90.59","0.02","511.7","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C5 H12 Cu I N2 S -","- C5 H12 Cu I N2 S -","- C10 H24 Cu2 I2 N4 S2 -","2","1","","Liu, Xi; Huang, Kun-Lin; Liang, Guo-Ming; Wang, Ming-Sheng; Guo, Guo-Cong","Molecular design of luminescent halogeno-thiocyano-d10 metal complexes with in situ formation of the thiocyanate ligand","CrystEngComm","2009","11","8","1615","","10.1039/b902121c","","","0.71073","MoKα","","0.0561","0.0518","","","0.1299","0.1334","","","","","","1","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200985","14.9","0.004","6.4724","0.0013","6.4724","0.0013","90","","90","","90","","624.2","0.2","293","2","293","2","","","","","","","","7","P m n 21","P 2ac -2","31","","","","- C6 H12 Ag2 Cl N3 O0 S2 -","- C6 H12 Ag2 Cl N3 S2 -","- C12 H24 Ag4 Cl2 N6 S4 -","2","0.5","","Liu, Xi; Huang, Kun-Lin; Liang, Guo-Ming; Wang, Ming-Sheng; Guo, Guo-Cong","Molecular design of luminescent halogeno-thiocyano-d10 metal complexes with in situ formation of the thiocyanate ligand","CrystEngComm","2009","11","8","1615","","10.1039/b902121c","","","0.71073","MoKα","","0.0253","0.0247","","","0.0664","0.0671","","","","","","1.001","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200986","21.731","0.004","7.2815","0.0015","14.91","0.003","90","","101.49","0.03","90","","2312","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C52 H76 N2 O2 -","- C52 H76 N2 O2 -","- C104 H152 N4 O4 -","2","0.5","","Fan, Yan; Song, Weifeng; Yu, Dingyi; Ye, Kaiqi; Zhang, Jingying; Wang, Yue","Polymorphs and luminescent properties of a cetyl substituted quinacridone derivative","CrystEngComm","2009","11","8","1716","","10.1039/b902129a","","","0.71073","MoKα","","0.158","0.0572","","","0.1271","0.1605","","","","","","0.963","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200987","16.912","0.003","9.83","0.002","15.129","0.003","90","","114.41","0.03","90","","2290.3","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C52 H76 N2 O2 -","- C52 H76 N2 O2 -","- C104 H152 N4 O4 -","2","0.5","","Fan, Yan; Song, Weifeng; Yu, Dingyi; Ye, Kaiqi; Zhang, Jingying; Wang, Yue","Polymorphs and luminescent properties of a cetyl substituted quinacridone derivative","CrystEngComm","2009","11","8","1716","","10.1039/b902129a","","","0.71073","MoKα","","0.0949","0.0468","","","0.1125","0.1222","","","","","","1.016","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200988","6.182","0.003","12.632","0.005","6.436","0.003","90","","90","","90","","502.6","0.4","200","","","","","","","","","","","3","C m c a","-C 2ac 2","64","","","","- Ag F4 K2 -","- Ag F4 K2 -","- Ag4 F16 K8 -","4","","","Mazej, Zoran; Goreshnik, Evgeny; Jagličić, Zvonko; Gaweł, Bartłomiej; Łasocha, Wiesław; Grzybowska, Dorota; Jaroń, Tomasz; Kurzydłowski, Dominik; Malinowski, Przemysław; Koźminski, Wiktor; Szydłowska, Jadwiga; Leszczyński, Piotr; Grochala, Wojciech","KAgF3, K2AgF4 and K3Ag2F7: important steps towards a layered antiferromagnetic fluoroargentate(II),","CrystEngComm","2009","11","8","1702","","10.1039/b902161b","","","0.71069","MoKα","","","0.0306","","","","0.0808","","","","","","1.173","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7200989","20.8119","0.0014","6.3402","0.0004","6.2134","0.0004","90","","90","","90","","819.87","0.09","293","2","293","","","","","","","","","3","C c c a :2","-C 2a 2ac","68","tripotassium heptafuoro diargenate","tripotassium heptafuoro diargenate","","- Ag2 F7 K3 -","- Ag2 F7 K3 -","- Ag8 F28 K12 -","4","0.25","","Mazej, Zoran; Goreshnik, Evgeny; Jagličić, Zvonko; Gaweł, Bartłomiej; Łasocha, Wiesław; Grzybowska, Dorota; Jaroń, Tomasz; Kurzydłowski, Dominik; Malinowski, Przemysław; Koźminski, Wiktor; Szydłowska, Jadwiga; Leszczyński, Piotr; Grochala, Wojciech","KAgF3, K2AgF4 and K3Ag2F7: important steps towards a layered antiferromagnetic fluoroargentate(II),","CrystEngComm","2009","11","8","1702","","10.1039/b902161b","powder diffraction","","1.54178","CuKα","","0.1381","0.1381","","","0.1838","0.1838","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7200990","6.2689","0.0002","8.3015","0.0002","6.1844","0.0002","90","","90","","90","","321.844","0.017","293","","293","","","","","","","","","3","P n m a","-P 2ac 2n","62","potassium trifluoro argentate","","","- Ag F3 K -","- Ag F3 K -","- Ag4 F12 K4 -","4","0.5","","Mazej, Zoran; Goreshnik, Evgeny; Jagličić, Zvonko; Gaweł, Bartłomiej; Łasocha, Wiesław; Grzybowska, Dorota; Jaroń, Tomasz; Kurzydłowski, Dominik; Malinowski, Przemysław; Koźminski, Wiktor; Szydłowska, Jadwiga; Leszczyński, Piotr; Grochala, Wojciech","KAgF3, K2AgF4 and K3Ag2F7: important steps towards a layered antiferromagnetic fluoroargentate(II),","CrystEngComm","2009","11","8","1702","","10.1039/b902161b","powder diffraction","","1.54178","CuKα","","0.0607","0.0533","","","0.0427","0.044","","","","","","","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200991","16.4267","0.0004","16.4267","0.0004","16.135","0.0007","90","","90","","90","","4353.8","0.2","173","2","173","2","","","","","","","","3","P 4/n c c :2","-P 4a 2ac","130","","","","- C46 H60 O10 -","- C46 H60 O10 -","- C184 H240 O40 -","4","0.25","","Salorinne, Kirsi; Nissinen, Maija","Twisting of the resorcinarene core due to solvent effects upon crystallization","CrystEngComm","2009","11","8","1572","","10.1039/b902718a","","","1.54178","CuKα","","0.0831","0.0758","","","0.2184","0.2285","","","","","","1.126","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200992","8.0141","0.0006","17.358","0.001","17.634","0.0011","82.173","0.003","78.215","0.004","77.5","0.003","2333.5","0.3","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C49 H66 O11 -","- C49 H66 O11 -","- C98 H132 O22 -","2","1","","Salorinne, Kirsi; Nissinen, Maija","Twisting of the resorcinarene core due to solvent effects upon crystallization","CrystEngComm","2009","11","8","1572","","10.1039/b902718a","","","1.54178","CuKα","","0.1192","0.1005","","","0.3032","0.3207","","","","","","1.081","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200993","20.7573","0.0005","8.9214","0.0001","19.7132","0.0005","90","","102.185","0.001","90","","3568.33","0.13","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H51 N O8 -","- C42 H51 N O8 -","- C168 H204 N4 O32 -","4","0.5","","Salorinne, Kirsi; Nissinen, Maija","Twisting of the resorcinarene core due to solvent effects upon crystallization","CrystEngComm","2009","11","8","1572","","10.1039/b902718a","","","1.54184","CuKα","","0.0687","0.0628","","","0.174","0.1823","","","","","","1.045","","","","has coordinates,has disorder","180340","2020-10-21","18:00:00",""
"7200994","14.3941","0.0003","21.1462","0.0005","17.3931","0.0004","90","","96.636","0.001","90","","5258.7","0.2","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C56 H76.5 O14.25 -","- C56 H76 O14.25 -","- C224 H304 O57 -","4","1","","Salorinne, Kirsi; Nissinen, Maija","Twisting of the resorcinarene core due to solvent effects upon crystallization","CrystEngComm","2009","11","8","1572","","10.1039/b902718a","","","1.54178","CuKα","","0.0678","0.0527","","","0.13","0.1411","","","","","","1.012","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7200995","14.5962","0.0003","15.334","0.0004","26.2678","0.0007","90","","97.548","0.002","90","","5828.3","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H76.5 D6 O15.5 S -","- C58 H82 O15.5 S -","- C232 H328 O62 S4 -","4","1","","Salorinne, Kirsi; Nissinen, Maija","Twisting of the resorcinarene core due to solvent effects upon crystallization","CrystEngComm","2009","11","8","1572","","10.1039/b902718a","","","1.54178","CuKα","","0.127","0.0973","","","0.2822","0.314","","","","","","1.062","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7200996","12.676","0.001","13.597","0.001","13.826","0.001","73.3","0.002","76.27","0.002","78.95","0.002","2197.7","0.3","123","2","123","2","","","","","","","","4","P -1","-P 1","2","1,3,5-Benzene-tri-2,6-2-pyridyl pyridazine","","","- C52 H40 N12 O -","- C52 H40 N12 O -","- C104 H80 N24 O2 -","2","1","","Varughese, Sunil; Cooke, Gareth; Draper, Sylvia M.","N-Substituted pyridazines as building blocks in novel supramolecular architectures","CrystEngComm","2009","11","8","1505","","10.1039/b902765c","","","0.71073","MoKα","","0.0782","0.064","","","0.1902","0.2066","","","","","","1.025","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200997","6.164","0.006","14.713","0.001","17.365","0.001","90","","95.38","0.001","90","","1567.9","1.5","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","4-Phenyl-3,6-Di(2-pyridyl)pyridazine","","","- C20 H14 N4 -","- C20 H14 N4 -","- C80 H56 N16 -","4","1","","Varughese, Sunil; Cooke, Gareth; Draper, Sylvia M.","N-Substituted pyridazines as building blocks in novel supramolecular architectures","CrystEngComm","2009","11","8","1505","","10.1039/b902765c","","","0.71073","MoKα","","0.0539","0.0404","","","0.0974","0.1043","","","","","","1.031","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200998","36","0.001","36","0.001","6.213","0.005","90","","90","","120","","6973","6","123","2","123","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C34 H22 N8 -","- C34 H22 N8 -","- C306 H198 N72 -","9","0.5","","Varughese, Sunil; Cooke, Gareth; Draper, Sylvia M.","N-Substituted pyridazines as building blocks in novel supramolecular architectures","CrystEngComm","2009","11","8","1505","","10.1039/b902765c","","","0.71073","MoKα","","0.0498","0.0408","","","0.1077","0.1125","","","","","","1.038","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200999","26.1227","0.0012","26.1227","0.0012","13.4564","0.0013","90","","90","","120","","7952.4","0.9","298","2","298","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C16 H10 N8 O5 Zn2 -","- C16 H10 N8 O5 Zn2 -","- C288 H180 N144 O90 Zn36 -","18","0.5","","Guo, Huadong; Guo, Xianmin; Wang, Xiao; Li, Guanghua; Guo, Zhiyong; Su, Shengqun; Zhang, Hongjie","Interweaving of single-helical and equal double-helical chains with the same helical axis in a 3D metal‒organic framework","CrystEngComm","2009","11","8","1509","","10.1039/b902809a","","","0.71073","MoKα","","0.0251","0.0227","","","0.0626","0.0637","","","","","","1.112","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7201003","15.017","0.003","17.685","0.004","27.129","0.005","90","","90","","90","","7205","3","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C35 H65 Cu14 I14 N11 -","- C35 H53 Cu14 I14 N11 -","- C140 H212 Cu56 I56 N44 -","4","0.5","","Hou, Qin; Yu, Jie-Hui; Xu, Jia-Ning; Yang, Qing-Feng; Xu, Ji-Qing","A new 3-D two-fold interpenetrated framework with sqp net based on Cu6I6 and Cu8I8 cluster nodes","CrystEngComm","2009","11","11","2452","","10.1039/b902936m","","","0.71073","MoKα","","0.0645","0.0447","","","0.092","0.0982","","","","","","1.066","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201013","13.6544","0.0003","13.6544","0.0003","30.8734","0.0013","90","","90","","90","","5756.1","0.3","186","2","186","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","(Eu(H2O)8(C4H12N))(C28H20O16S4) (H2O)16","","","- C32 H80 Eu N O40 S4 -","- C32 H80 Eu N O40 S4 -","- C128 H320 Eu4 N4 O160 S16 -","4","0.25","","Bi, Yanfeng; Liao, Wuping; Zhang, Hongjie; Li, Deqian","Assembly of ‘discrete’ (H2O)16 water clusters within a supramolecular compound of calixarene","CrystEngComm","2009","11","7","1213","","10.1039/b903020d","","","0.71073","MoKα","","0.0365","0.0355","","","0.0755","0.0765","","","","","","1.286","","","","has coordinates","201370","2020-10-21","18:00:00",""
"7201014","6.782","0.002","9.375","0.003","11.223","0.004","94.659","0.004","92.078","0.005","91.662","0.005","710.4","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H18 Ag3 Cl N4 O16 -","- C24 H18 Ag3 Cl N4 O16 -","- C24 H18 Ag3 Cl N4 O16 -","1","0.5","","Du, Miao; Li, Cheng-Peng; Guo, Jian-Hua","Unusual anion effect on the direction of three-dimensional (3-D) channel-like silver(I) coordination frameworks with isonicotinic acid N-oxide","CrystEngComm","2009","11","8","1536","","10.1039/b903074c","","","0.71073","MoKα","","0.0341","0.0269","","","0.0738","0.0888","","","","","","1.172","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201015","3.577","0.002","17.335","0.01","11.596","0.007","90","","90.726","0.01","90","","719","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 Ag N O4 -","- C6 H6 Ag N O4 -","- C24 H24 Ag4 N4 O16 -","4","1","","Du, Miao; Li, Cheng-Peng; Guo, Jian-Hua","Unusual anion effect on the direction of three-dimensional (3-D) channel-like silver(I) coordination frameworks with isonicotinic acid N-oxide","CrystEngComm","2009","11","8","1536","","10.1039/b903074c","","","0.71073","MoKα","","0.0842","0.0475","","","0.0765","0.0848","","","","","","1.084","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201016","8.433","0.014","8.661","0.013","13.62","0.02","74.33","0.02","77.1","0.02","80.55","0.02","928","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H25 Cl2 Mn N5 O -","- C15 H25 Cl2 Mn N5 O -","- C30 H50 Cl4 Mn2 N10 O2 -","2","1","","Zhang, Daopeng; Wang, Hailong; Tian, Laijin; Jiang, Jianzhuang; Ni, Zhong-Hai","Rational design of cyanide-bridged heterometallic M(I)‒Mn(II) (M = Ag, Au) one-dimensional chain complexes: synthesis, crystal structures and magnetic properties","CrystEngComm","2009","11","11","2447","","10.1039/b903174j","","","0.71073","MoKα","","0.079","0.0612","","","0.2052","0.237","","","","","","1.007","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201017","8.267","0.014","8.394","0.013","14.19","0.02","73.89","0.02","76.72","0.02","81.28","0.02","917","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H23 Cl2 Mn N3 O3 -","- C15 H23 Cl2 Mn N3 O3 -","- C30 H46 Cl4 Mn2 N6 O6 -","2","1","","Zhang, Daopeng; Wang, Hailong; Tian, Laijin; Jiang, Jianzhuang; Ni, Zhong-Hai","Rational design of cyanide-bridged heterometallic M(I)‒Mn(II) (M = Ag, Au) one-dimensional chain complexes: synthesis, crystal structures and magnetic properties","CrystEngComm","2009","11","11","2447","","10.1039/b903174j","","","0.71073","MoKα","","0.0869","0.069","","","0.211","0.2394","","","","","","1.081","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201018","11.1464","0.0016","25.461","0.004","10.7528","0.0015","90","","117.596","0.002","90","","2704.5","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H23 Ag2 Mn N9 -","- C19.004 H23 Ag2 Mn N8.996 -","- C76.016 H92 Ag8 Mn4 N35.984 -","4","0.5","","Zhang, Daopeng; Wang, Hailong; Tian, Laijin; Jiang, Jianzhuang; Ni, Zhong-Hai","Rational design of cyanide-bridged heterometallic M(I)‒Mn(II) (M = Ag, Au) one-dimensional chain complexes: synthesis, crystal structures and magnetic properties","CrystEngComm","2009","11","11","2447","","10.1039/b903174j","","","0.71073","MoKα","","0.0759","0.0664","","","0.1904","0.204","","","","","","1.082","","","","has coordinates,has disorder","180341","2020-10-21","18:00:00",""
"7201019","11.1991","0.0013","25.381","0.003","10.6615","0.0012","90","","115.925","0.002","90","","2725.5","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H23 Au2 Mn N9 -","- C19.001 H23 Au2 Mn N9.088 -","- C76.004 H92 Au8 Mn4 N36.352 -","4","0.5","","Zhang, Daopeng; Wang, Hailong; Tian, Laijin; Jiang, Jianzhuang; Ni, Zhong-Hai","Rational design of cyanide-bridged heterometallic M(I)‒Mn(II) (M = Ag, Au) one-dimensional chain complexes: synthesis, crystal structures and magnetic properties","CrystEngComm","2009","11","11","2447","","10.1039/b903174j","","","0.71073","MoKα","","0.044","0.0374","","","0.1084","0.1127","","","","","","1.054","","","","has coordinates,has disorder","180341","2020-10-21","18:00:00",""
"7201020","10.6151","0.0011","20.157","0.002","49.67","0.005","90","","90","","90","","10627.8","1.9","293","2","293","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C19 H24 Au2 Mn N7 O3.5 -","- C19 H24 Au2 Mn N7 O3.5 -","- C304 H384 Au32 Mn16 N112 O56 -","16","0.5","","Zhang, Daopeng; Wang, Hailong; Tian, Laijin; Jiang, Jianzhuang; Ni, Zhong-Hai","Rational design of cyanide-bridged heterometallic M(I)‒Mn(II) (M = Ag, Au) one-dimensional chain complexes: synthesis, crystal structures and magnetic properties","CrystEngComm","2009","11","11","2447","","10.1039/b903174j","","","0.71073","MoKα","","0.0463","0.0341","","","0.0915","0.0995","","","","","","1.014","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7201021","10.6783","0.0007","20.0234","0.0016","50.001","0.003","90","","90","","90","","10691","1.3","293","2","293","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C19 H24 Ag2 Mn N7 O3.5 -","- C19 H24 Ag2 Mn N7 O3.5 -","- C304 H384 Ag32 Mn16 N112 O56 -","16","0.5","","Zhang, Daopeng; Wang, Hailong; Tian, Laijin; Jiang, Jianzhuang; Ni, Zhong-Hai","Rational design of cyanide-bridged heterometallic M(I)‒Mn(II) (M = Ag, Au) one-dimensional chain complexes: synthesis, crystal structures and magnetic properties","CrystEngComm","2009","11","11","2447","","10.1039/b903174j","","","0.71073","MoKα","","0.0558","0.046","","","0.1587","0.1728","","","","","","1.049","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7201022","13.335","0.002","13.335","0.002","31.626","0.008","90","","90","","90","","5623.8","1.9","293","2","293","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C52 H56.5 Cl0.5 Cu2 N6 O22.5 -","- C52 H40 Cl0.5 Cu2 N6 O22.5 -","- C208 H160 Cl2 Cu8 N24 O90 -","4","0.25","","Zhang, Hai-Xia; Yao, Qing-Xia; Jin, Xu-Hui; Ju, Zhan-Feng; Zhang, Jie","An unprecedented 9-fold [3 ×3] interpenetrated diamondoid network coordination polymer containing Cu(II)-based “paddlewheels” as connecting node","CrystEngComm","2009","11","9","1807","","10.1039/b903214b","","","0.71073","MoKα","","0.0692","0.0674","","","0.1942","0.198","","","","","","1.062","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201024","11.8123","0.0011","8.1954","0.0008","10.9733","0.001","90","","117.975","0.002","90","","938.16","0.15","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H4 Hg N4 S2 -","- C6 H4 Hg N4 S2 -","- C24 H16 Hg4 N16 S8 -","4","0.5","","Mahmoudi, Ghodrat; Morsali, Ali","Mercury(II) metal‒organic coordination polymers with pyrazine derivatives","CrystEngComm","2009","11","9","1868","","10.1039/b903457a","","","0.71073","MoKα","","0.0288","0.026","","","0.0585","0.0594","","","","","","1.025","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201025","7.0171","0.0012","7.0163","0.0012","8.3634","0.0014","109.362","0.004","96.04","0.004","112.625","0.003","345.53","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C2 H2 Hg I2 N -","- C2 H2 Hg I2 N -","- C4 H4 Hg2 I4 N2 -","2","1","","Mahmoudi, Ghodrat; Morsali, Ali","Mercury(II) metal‒organic coordination polymers with pyrazine derivatives","CrystEngComm","2009","11","9","1868","","10.1039/b903457a","","","0.71073","MoKα","","0.051","0.0503","","","0.1333","0.1358","","","","","","1.069","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201026","12.321","0.006","7.735","0.004","3.9036","0.0019","90","","95.497","0.011","90","","370.3","0.3","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C4 H4 Br2 Hg N2 -","- C4 H4 Br2 Hg N2 -","- C8 H8 Br4 Hg2 N4 -","2","0.25","","Mahmoudi, Ghodrat; Morsali, Ali","Mercury(II) metal‒organic coordination polymers with pyrazine derivatives","CrystEngComm","2009","11","9","1868","","10.1039/b903457a","","","0.71073","MoKα","","0.0405","0.0376","","","0.0847","0.0856","","","","","","1.046","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201027","4.052","0.003","9.002","0.007","9.734","0.008","98.723","0.013","100.464","0.013","99.231","0.014","338.6","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C3 H4 Br2 Hg N -","- C3 H4 Br2 Hg N -","- C6 H8 Br4 Hg2 N2 -","2","1","","Mahmoudi, Ghodrat; Morsali, Ali","Mercury(II) metal‒organic coordination polymers with pyrazine derivatives","CrystEngComm","2009","11","9","1868","","10.1039/b903457a","","","0.71073","MoKα","","0.0717","0.0598","","","0.1514","0.1581","","","","","","1.034","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201028","15.295","0.003","11.035","0.002","11.151","0.002","90","","115.25","0.003","90","","1702.2","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C5 H4 Hg N3 S2 -","- C5 H4 Hg N3 S2 -","- C40 H32 Hg8 N24 S16 -","8","1","","Mahmoudi, Ghodrat; Morsali, Ali","Mercury(II) metal‒organic coordination polymers with pyrazine derivatives","CrystEngComm","2009","11","9","1868","","10.1039/b903457a","","","0.71073","MoKα","","0.0727","0.0623","","","0.1559","0.1643","","","","","","1.046","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201029","4.0289","0.0008","10.454","0.002","12.306","0.002","105.738","0.004","94.848","0.004","100.308","0.004","485.96","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H8 Br2 Hg N2 -","- C6 H8 Br2 Hg N2 -","- C12 H16 Br4 Hg2 N4 -","2","1","","Mahmoudi, Ghodrat; Morsali, Ali","Mercury(II) metal‒organic coordination polymers with pyrazine derivatives","CrystEngComm","2009","11","9","1868","","10.1039/b903457a","","","0.71073","MoKα","","0.0673","0.0619","","","0.1731","0.1797","","","","","","1.08","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201030","3.895","0.0013","8.146","0.003","9.945","0.003","80.398","0.005","86.387","0.005","80.858","0.006","306.95","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H8 Cl4 Hg2 N2 -","- C6 H8 Cl4 Hg2 N2 -","- C6 H8 Cl4 Hg2 N2 -","1","0.5","","Mahmoudi, Ghodrat; Morsali, Ali","Mercury(II) metal‒organic coordination polymers with pyrazine derivatives","CrystEngComm","2009","11","9","1868","","10.1039/b903457a","","","0.71073","MoKα","","0.0656","0.0636","","","0.1774","0.1789","","","","","","1.112","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201031","12.8459","0.0012","21.18","0.002","8.3837","0.0008","90","","90","","90","","2281","0.4","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C8 H8 Hg N4 S2 -","- C8 H8 Hg N4 S2 -","- C64 H64 Hg8 N32 S16 -","8","0.5","","Mahmoudi, Ghodrat; Morsali, Ali","Mercury(II) metal‒organic coordination polymers with pyrazine derivatives","CrystEngComm","2009","11","9","1868","","10.1039/b903457a","","","0.71073","MoKα","","0.0192","0.0181","","","0.0396","0.0403","","","","","","0.914","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201032","4.4968","0.0009","6.8417","0.0014","9.941","0.002","90","","90","","90","","305.84","0.11","295","2","295","2","","","530000","","","","","3","P n m a","-P 2ac 2n","62","iodomethane","iodomethane","","- C H3 I -","- C H3 I -","- C4 H12 I4 -","4","0.5","","Podsiadło, Marcin; Katrusiak, Andrzej","High-pressure crystal structure of methyl iodide: molecular aggregation in the crystals of halomethanes and their isostructural relations,","CrystEngComm","2009","11","9","1951","","10.1039/b903526e","","","0.71073","MoKα","","0.0276","0.0247","","","0.0631","0.0639","","","","","","1.145","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201033","4.3643","0.0009","6.6826","0.0013","9.773","0.002","90","","90","","90","","285.03","0.1","295","2","295","2","","","1160000","","","","","3","P n m a","-P 2ac 2n","62","iodomethane","iodomethane","","- C H3 I -","- C H3 I -","- C4 H12 I4 -","4","0.5","","Podsiadło, Marcin; Katrusiak, Andrzej","High-pressure crystal structure of methyl iodide: molecular aggregation in the crystals of halomethanes and their isostructural relations,","CrystEngComm","2009","11","9","1951","","10.1039/b903526e","","","0.71073","MoKα","","0.0215","0.0197","","","0.0478","0.0489","","","","","","1.178","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201034","4.2676","0.001","6.572","0.01","9.611","0.006","90","","90","","90","","269.6","0.4","295","2","295","2","","","2530000","","","","","3","P n m a","-P 2ac 2n","62","iodomethane","iodomethane","","- C H3 I -","- C H3 I -","- C4 H12 I4 -","4","0.5","","Podsiadło, Marcin; Katrusiak, Andrzej","High-pressure crystal structure of methyl iodide: molecular aggregation in the crystals of halomethanes and their isostructural relations,","CrystEngComm","2009","11","9","1951","","10.1039/b903526e","","","0.71073","MoKα","","0.0435","0.0418","","","0.0827","0.0857","","","","","","1.131","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201035","9.638","0.002","9.638","0.002","27.84","0.007","90","","90","","120","","2239.6","0.9","289","2","293","2","","","","","","","","7","R 3 2 :H","R 3 2""","155","Pentasodium tris(2,2?-oxydiacetato)-dysprosium(iii) bis(tetrafluoroborate) hexahydrate","Pentasodium tris(2,2?-oxydiacetato)-dysprosium(III) bis(tetrafluoroborate) hexahydrate","","- C12 H24 B2 Dy F8 Na5 O21 -","- C12 H12 B2 Dy F8 Na5 O21 -","- C36 H36 B6 Dy3 F24 Na15 O63 -","3","0.166667","","Lennartson, Anders; Håkansson, Mikael","Total spontaneous resolution of nine-coordinate complexes","CrystEngComm","2009","11","9","1979","","10.1039/b903554k","","x-ray","0.71073","MoKα","","0.0257","0.0256","","","0.0554","0.0555","","","","","","1.101","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201036","9.6578","0.0015","9.6578","0.0015","27.923","0.005","90","","90","","120","","2255.5","0.6","289","2","289","2","","","","","","","","7","R 3 2 :H","R 3 2""","155","Pentasodium tris(2,2?-oxydiacetato)-erbium(iii) bis(tetrafluoroborate) hexahydrate","Pentasodium tris(2,2?-oxydiacetato)-erbium(III) bis(tetrafluoroborate) hexahydrate","","- C12 H24 B2 Er F8 Na5 O21 -","- C12 H12 B2 Er F8 Na5 O21 -","- C36 H36 B6 Er3 F24 Na15 O63 -","3","0.166667","","Lennartson, Anders; Håkansson, Mikael","Total spontaneous resolution of nine-coordinate complexes","CrystEngComm","2009","11","9","1979","","10.1039/b903554k","","x-ray","0.71073","MoKα","","0.0163","0.0149","","","0.0403","0.0691","","","","","","1.428","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201037","9.71","0.002","9.71","0.002","28.17","0.006","90","","90","","120","","2300.1","0.8","289","2","289","2","","","","","","","","7","R 3 2 :H","R 3 2""","155","Pentasodium tris(2,2?-oxydiacetato)-praseodymium(iii) bis(tetrafluoroborate) hexahydrate","Pentasodium tris(2,2?-oxydiacetato)-praseodymium(III) bis(tetrafluoroborate) hexahydrate","","- C12 H24 B2 F8 Na5 O21 Pr -","- C12 H12 B2 F8 Na5 O21 Pr -","- C36 H36 B6 F24 Na15 O63 Pr3 -","3","0.166667","","Lennartson, Anders; Håkansson, Mikael","Total spontaneous resolution of nine-coordinate complexes","CrystEngComm","2009","11","9","1979","","10.1039/b903554k","","x-ray","0.71073","MoKα","","0.0321","0.032","","","0.0769","0.0772","","","","","","1.092","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201038","17.535","0.004","8.4677","0.0016","19.207","0.004","90","","111.483","0.016","90","","2653.7","1","289","2","289","2","","","","","","","","5","C 1 c 1","C -2yc","9","Trisodium tris(2,2?-oxydiacetato)-gadolinium(iii) hexaahydrate","Trisodium tris(2,2?-oxydiacetato)-gadolinium(III) hexaahydrate","","- C12 H28 Gd Na3 O23 -","- C12 H12 Gd Na3 O23 -","- C48 H48 Gd4 Na12 O92 -","4","1","","Lennartson, Anders; Håkansson, Mikael","Total spontaneous resolution of nine-coordinate complexes","CrystEngComm","2009","11","9","1979","","10.1039/b903554k","","x-ray","0.71073","MoKα","","0.0217","0.0206","","","0.0542","0.0546","","","","","","0.905","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201039","9.1741","0.0011","9.3387","0.0016","17.7642","0.0016","83.75","0.02","72.724","0.01","86.44","0.02","1443.9","0.3","289","2","289","2","","","105","","","","","7","P -1","-P 1","2","Ammonium trisodium tris(2,2?-oxydiacetato)- praseodymium(iii)tiocyanate tetraahydrate","Ammonium trisodium tris(2,2?-oxydiacetato)-praseodymium(III)tiocyanate tetraahydrate","","- C13 H24 N2 Na3 O19 Pr S -","- C13 H12 N2 Na3 O19 Pr S -","- C26 H24 N4 Na6 O38 Pr2 S2 -","2","1","","Lennartson, Anders; Håkansson, Mikael","Total spontaneous resolution of nine-coordinate complexes","CrystEngComm","2009","11","9","1979","","10.1039/b903554k","","x-ray","0.71073","MoKα","","0.0374","0.0354","","","0.0941","0.0951","","","","","","1.073","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201040","14.544","0.002","15.039","0.003","18.655","0.003","112.528","0.003","106.237","0.003","97.703","0.002","3482.3","1","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H70 Ge Mo12 N11 Ni4 O47 -","- C27 H56 Ge Mo12 N11 Ni4 O45 -","- C54 H112 Ge2 Mo24 N22 Ni8 O90 -","2","1","","Wang, Wenju; Xu, Lin; Gao, Guanggang; Liu, Li; Liu, Xizheng","The first ε-Keggin core of molybdogermanate in extended architectures of nickel(II) with N-donor ligands: syntheses, crystal structures and magnetic properties","CrystEngComm","2009","11","11","2488","","10.1039/b903793d","","","0.71073","MoKα","","0.1017","0.0574","","","0.129","0.1551","","","","","","1.004","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201041","33.91","0.006","15.219","0.003","26.76","0.005","90","","103.472","0.003","90","","13430","4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H66 Ge Mo12 N11 Ni4 O42 -","- C30 H62 Ge Mo12 N11 Ni4 O42 -","- C240 H496 Ge8 Mo96 N88 Ni32 O336 -","8","1","","Wang, Wenju; Xu, Lin; Gao, Guanggang; Liu, Li; Liu, Xizheng","The first ε-Keggin core of molybdogermanate in extended architectures of nickel(II) with N-donor ligands: syntheses, crystal structures and magnetic properties","CrystEngComm","2009","11","11","2488","","10.1039/b903793d","","","0.71073","MoKα","","0.0813","0.054","","","0.1191","0.1319","","","","","","1.037","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201042","29.3618","0.0006","29.3618","0.0006","37.1534","0.0014","90","","90","","90","","32030.5","1.5","200","2","200","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C61 H59 Cu3 N7 O19 S3 -","- C55 H35 Cu3 N7 O14 -","- C880 H560 Cu48 N112 O224 -","16","1","","Guo, Zhiyong; Yu, Jiangbo; Li, Guanghua; Si, Zhenjun; Guo, Huadong; Zhang, Hongjie","A three-dimensional metal‒organic framework based on a triazine derivative: syntheses, structure analysis, and sorption studies","CrystEngComm","2009","11","11","2254","","10.1039/b903932e","","","0.71073","MoKα","","0.1313","0.0938","","","0.2542","0.2743","","","","","","1.017","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201043","8.9718","0.0018","11.025","0.002","11.152","0.002","93.22","0.03","102.11","0.03","96.21","0.03","1068.7","0.4","293","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H17 Br2 Cu3 N7 -","- C17 H17 Br2 Cu3 N7 -","- C34 H34 Br4 Cu6 N14 -","2","1","","Li, Ling-Ling; Liu, Lei-Lei; Ren, Zhi-Gang; Li, Hong-Xi; Zhang, Yong; Lang, Jian-Ping","Solvothermal assembly of a mixed-valence Cu(I,II) cyanide coordination polymer [Cu(II)Cu(I)2(µ-Br)2(µ-CN)2(bdmpp)]n by C‒C bond cleavage of acetonitrile","CrystEngComm","2009","11","12","2751","","10.1039/b903972d","","","0.71073","MoKα","","0.0928","0.0629","","","0.1524","0.1749","","","","","","1.038","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201044","7.5111","0.0015","25.426","0.005","12.294","0.003","90","","106.74","0.03","90","","2248.4","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 Cu4 N10 -","- C20 H17 Cu4 N10 -","- C80 H68 Cu16 N40 -","4","1","","Li, Ling-Ling; Liu, Lei-Lei; Ren, Zhi-Gang; Li, Hong-Xi; Zhang, Yong; Lang, Jian-Ping","Solvothermal assembly of a mixed-valence Cu(I,II) cyanide coordination polymer [Cu(II)Cu(I)2(µ-Br)2(µ-CN)2(bdmpp)]n by C‒C bond cleavage of acetonitrile","CrystEngComm","2009","11","12","2751","","10.1039/b903972d","","","0.71073","MoKα","","0.0426","0.038","","","0.0926","0.0952","","","","","","1.123","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201045","13.023","0.001","12.739","0.001","13.684","0.001","90","","94.899","0.001","90","","2261.9","0.3","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C46 H34 Cd2 N4 O12 -","- C46 H34 Cd2 N4 O12 -","- C92 H68 Cd4 N8 O24 -","2","0.5","","Xu, Guang-Juan; Zhao, Ya-Hui; Shao, Kui-Zhan; Lan, Ya-Qian; Wang, Xin-Long; Su, Zhong-Min; Yan, Li-Kai","Three novel 3D (3,8)-connected metal‒organic frameworks constructed from flexible-rigid mixed ligands","CrystEngComm","2009","11","9","1842","","10.1039/b904000e","","","0.71069","MoKα","","0.0434","0.035","","","0.0903","0.0952","","","","","","1.075","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201046","10.4","0.002","11.48","0.002","12.407","0.002","112.591","0.003","107.961","0.003","101.658","0.003","1211.3","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H40 Cd2 N4 O15 -","- C46 H34 Cd2 N4 O15 -","- C46 H34 Cd2 N4 O15 -","1","0.5","","Xu, Guang-Juan; Zhao, Ya-Hui; Shao, Kui-Zhan; Lan, Ya-Qian; Wang, Xin-Long; Su, Zhong-Min; Yan, Li-Kai","Three novel 3D (3,8)-connected metal‒organic frameworks constructed from flexible-rigid mixed ligands","CrystEngComm","2009","11","9","1842","","10.1039/b904000e","","","0.71069","MoKα","","0.1048","0.0647","","","0.1529","0.182","","","","","","0.992","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201047","24.126","0.002","9.992","0.002","25.085","0.003","90","","116.902","0.005","90","","5392.8","1.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H38 Cd3 N4 O16 -","- C54 H38 Cd3 N4 O16 -","- C216 H152 Cd12 N16 O64 -","4","0.5","","Xu, Guang-Juan; Zhao, Ya-Hui; Shao, Kui-Zhan; Lan, Ya-Qian; Wang, Xin-Long; Su, Zhong-Min; Yan, Li-Kai","Three novel 3D (3,8)-connected metal‒organic frameworks constructed from flexible-rigid mixed ligands","CrystEngComm","2009","11","9","1842","","10.1039/b904000e","","","0.71069","MoKα","","0.0806","0.0475","","","0.1195","0.1337","","","","","","1.095","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201055","9.134","0.004","20.071","0.008","11.292","0.005","90","","91.478","0.008","90","","2069.5","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 N4 O12 P2 -","- C14 H20 N4 O12 P2 -","- C56 H80 N16 O48 P8 -","4","1","","Xia, Yana; Wu, Biao; Liu, Yanyan; Yang, Zaiwen; Huang, Xiaojuan; He, Li; Yang, Xiao-Juan","A flexible bis(pyridylcarbamate) anion receptor: binding of infinite double-stranded phosphate, [-sulfate-(H2O)2-]n, and hydrogen-bridged helical perchlorate chain","CrystEngComm","2009","11","9","1849","","10.1039/b904253a","","","0.71073","MoKα","","0.1648","0.0713","","","0.1311","0.1488","","","","","","0.806","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201056","6.855","0.0014","36.204","0.007","7.5513","0.0015","90","","90.79","0.03","90","","1873.9","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 N4 O10 S -","- C14 H20 N4 O10 S -","- C56 H80 N16 O40 S4 -","4","1","","Xia, Yana; Wu, Biao; Liu, Yanyan; Yang, Zaiwen; Huang, Xiaojuan; He, Li; Yang, Xiao-Juan","A flexible bis(pyridylcarbamate) anion receptor: binding of infinite double-stranded phosphate, [-sulfate-(H2O)2-]n, and hydrogen-bridged helical perchlorate chain","CrystEngComm","2009","11","9","1849","","10.1039/b904253a","","","0.71073","MoKα","","0.0543","0.0421","","","0.1112","0.1186","","","","","","1.022","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201057","34.633","0.014","7.993","0.003","14.308","0.005","90","","98.437","0.011","90","","3918","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H16 Cl2 N4 O12 -","- C14 H16 Cl2 N4 O12 -","- C112 H128 Cl16 N32 O96 -","8","1","","Xia, Yana; Wu, Biao; Liu, Yanyan; Yang, Zaiwen; Huang, Xiaojuan; He, Li; Yang, Xiao-Juan","A flexible bis(pyridylcarbamate) anion receptor: binding of infinite double-stranded phosphate, [-sulfate-(H2O)2-]n, and hydrogen-bridged helical perchlorate chain","CrystEngComm","2009","11","9","1849","","10.1039/b904253a","","","0.71073","MoKα","","0.1238","0.0658","","","0.1857","0.2228","","","","","","1.032","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201058","21.659","0.004","4.8742","0.001","17.943","0.004","90","","120.4","0.03","90","","1633.8","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H16 Cl2 N4 O4 -","- C14 H16 Cl2 N4 O4 -","- C56 H64 Cl8 N16 O16 -","4","0.5","","Xia, Yana; Wu, Biao; Liu, Yanyan; Yang, Zaiwen; Huang, Xiaojuan; He, Li; Yang, Xiao-Juan","A flexible bis(pyridylcarbamate) anion receptor: binding of infinite double-stranded phosphate, [-sulfate-(H2O)2-]n, and hydrogen-bridged helical perchlorate chain","CrystEngComm","2009","11","9","1849","","10.1039/b904253a","","","0.71073","MoKα","","0.0369","0.0328","","","0.0946","0.0985","","","","","","1.065","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201059","21.881","0.004","4.9052","0.001","18.337","0.004","90","","119.75","0.03","90","","1708.7","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H16 Br2 N4 O4 -","- C14 H16 Br2 N4 O4 -","- C56 H64 Br8 N16 O16 -","4","0.5","","Xia, Yana; Wu, Biao; Liu, Yanyan; Yang, Zaiwen; Huang, Xiaojuan; He, Li; Yang, Xiao-Juan","A flexible bis(pyridylcarbamate) anion receptor: binding of infinite double-stranded phosphate, [-sulfate-(H2O)2-]n, and hydrogen-bridged helical perchlorate chain","CrystEngComm","2009","11","9","1849","","10.1039/b904253a","","","0.71073","MoKα","","0.0504","0.0386","","","0.0925","0.0961","","","","","","0.924","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201062","16.023","0.006","17.455","0.006","25.036","0.009","93.065","0.006","101.971","0.005","100.061","0.002","6715","4","133.15","","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C332 H250 N16 O65 Zn8 -","- C332 H250 N16 O65 Zn8 -","- C332 H250 N16 O65 Zn8 -","1","0.5","","Cao, Xin-Yi; Yao, Yuan-Gen; Qin, Ye-Yan; Lin, Qi-Pu; Li, Zhao-Ji; Cheng, Jian-Kai; Zhang, Rui-Bo","Trapping in situ scission products of C‒O ester bonds by unique coordination supramolecular architectures","CrystEngComm","2009","11","9","1815","","10.1039/b904387j","","","0.71073","MoKα","","0.1557","0.1052","","","0.2774","0.3283","","","","","","1.067","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201063","12.264","0.003","28.899","0.006","9.6755","0.0019","90","","90","","90","","3429.2","1.3","293","2","293","2","","","","","","","","5","P n c 2","P 2 -2bc","30","","","","- C80 H58 Cd2 N4 O17 -","- C80 H58 Cd2 N4 O17 -","- C160 H116 Cd4 N8 O34 -","2","0.5","","Cao, Xin-Yi; Yao, Yuan-Gen; Qin, Ye-Yan; Lin, Qi-Pu; Li, Zhao-Ji; Cheng, Jian-Kai; Zhang, Rui-Bo","Trapping in situ scission products of C‒O ester bonds by unique coordination supramolecular architectures","CrystEngComm","2009","11","9","1815","","10.1039/b904387j","","","0.71073","MoKα","","0.0521","0.042","","","0.1032","0.1111","","","","","","1.013","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201064","7.94","0.002","26.509","0.008","16.793","0.005","90","","93.806","0.004","90","","3526.8","1.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C150 H100 N8 O30 Zn4 -","- C150 H100 N8 O30 Zn4 -","- C150 H100 N8 O30 Zn4 -","1","0.25","","Cao, Xin-Yi; Yao, Yuan-Gen; Qin, Ye-Yan; Lin, Qi-Pu; Li, Zhao-Ji; Cheng, Jian-Kai; Zhang, Rui-Bo","Trapping in situ scission products of C‒O ester bonds by unique coordination supramolecular architectures","CrystEngComm","2009","11","9","1815","","10.1039/b904387j","","","0.71073","MoKα","","0.146","0.0935","","","0.2651","0.3131","","","","","","1.049","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201065","9.15","0.018","13.76","0.03","10.229","0.019","90","","93.17","0.04","90","","1286","4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H16 N4 O8 Zn2 -","- C28 H16 N4 O8 Zn2 -","- C56 H32 N8 O16 Zn4 -","2","1","","Cao, Xin-Yi; Yao, Yuan-Gen; Qin, Ye-Yan; Lin, Qi-Pu; Li, Zhao-Ji; Cheng, Jian-Kai; Zhang, Rui-Bo","Trapping in situ scission products of C‒O ester bonds by unique coordination supramolecular architectures","CrystEngComm","2009","11","9","1815","","10.1039/b904387j","","","0.71073","MoKα","","0.1108","0.0707","","","0.1523","0.1816","","","","","","1.041","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201067","7.089","0.002","12.139","0.004","16.79","0.005","72.45","0.005","80.504","0.005","82.27","0.005","1353.2","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H17 Cu5 N8 -","- C27 H17 Cu5 N8 -","- C54 H34 Cu10 N16 -","2","1","","Zhou, Xiao-Ping; Lin, Shi-Hong; Li, Dan; Yin, Ye-Gao","Two CuCN hybrid networks with unusual topology tuned by terpyridine ligands","CrystEngComm","2009","11","9","1899","","10.1039/b904512k","","","0.71073","MoKα","","0.0718","0.0578","","","0.1468","0.1586","","","","","","0.979","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201068","10.586","0.019","13.259","0.017","17.18","0.003","90","","113.73","0.1","90","","2208","5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H17 Cu3 N6 -","- C25 H17 Cu3 N6 -","- C100 H68 Cu12 N24 -","4","1","","Zhou, Xiao-Ping; Lin, Shi-Hong; Li, Dan; Yin, Ye-Gao","Two CuCN hybrid networks with unusual topology tuned by terpyridine ligands","CrystEngComm","2009","11","9","1899","","10.1039/b904512k","","","0.71073","MoKα","","0.0682","0.0593","","","0.1608","0.1714","","","","","","1.041","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201069","8.5257","0.0017","8.5083","0.0016","19.23","0.004","90","","95.224","0.009","90","","1389.1","0.5","300","2","300","2","","","","","","","","6","P 1 21 1","P 2yb","4","Bis(2,6-di(pyrazol-1-yl)pyridine)iron(ii) ditetrafluoroborate","Bis[2,6-di(pyrazol-1-yl)pyridine]iron(II) ditetrafluoroborate","","- C22 H18 B2 F8 Fe N10 -","- C22 H18 B2 F8 Fe N10 -","- C44 H36 B4 F16 Fe2 N20 -","2","1","","Tovee, Clare A.; Kilner, Colin A.; Thomas, James A.; Halcrow, Malcolm A.","Co-crystallising two functional complex molecules in a terpyridine embrace lattice","CrystEngComm","2009","11","10","2069","","10.1039/b904528g","","","0.71073","MoKα","","0.0545","0.0368","","","0.0958","0.1046","","","","","","1.043","","","","has coordinates,has disorder","180341","2020-10-21","18:00:00",""
"7201070","12.716","0.004","12.44","0.005","19.237","0.007","90","","98.135","0.017","90","","3012.4","1.9","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","Bis(2,2':6',2''-terpyridine)ruthenium(ii) ditetrafluoroborate","Bis(2,2':6',2''-terpyridine)ruthenium(II) ditetrafluoroborate","","- C30 H22 B2 F8 N6 Ru -","- C30 H22 B2 F8 N6 Ru -","- C120 H88 B8 F32 N24 Ru4 -","4","1","","Tovee, Clare A.; Kilner, Colin A.; Thomas, James A.; Halcrow, Malcolm A.","Co-crystallising two functional complex molecules in a terpyridine embrace lattice","CrystEngComm","2009","11","10","2069","","10.1039/b904528g","","","0.71073","MoKα","","0.056","0.0515","","","0.1265","0.1302","","","","","","1.083","","","","has coordinates,has disorder","180341","2020-10-21","18:00:00",""
"7201071","8.0485","0.0016","9.1139","0.0018","22.607","0.005","94.13","0.03","91.52","0.03","113.94","0.03","1508.9","0.7","110","2","110","2","","","","","","","","4","P -1","-P 1","2","Form I of 1:1 cocrystal of ethenzamide and gentisic acid","Form I of 1:1 cocrystal of ethenzamide and gentisic acid","","- C16 H17 N O6 -","- C16 H17 N O6 -","- C64 H68 N4 O24 -","4","2","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","Trimorphs of a pharmaceutical cocrystal involving two active pharmaceutical ingredients: potential relevance to combination drugs","CrystEngComm","2009","11","9","1823","","10.1039/b904616j","","","0.71073","MoKα","","0.0937","0.0763","","","0.1918","0.2055","","","","","","1.173","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201072","7.7217","0.0015","12.668","0.003","15.749","0.003","90","","102.44","0.03","90","","1504.4","0.6","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Form II of 1:1 cocrystal of ethenzamide and gentisic acid","Form II of 1:1 cocrystal of ethenzamide and gentisic acid","","- C16 H17 N O6 -","- C16 H17 N O6 -","- C64 H68 N4 O24 -","4","1","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","Trimorphs of a pharmaceutical cocrystal involving two active pharmaceutical ingredients: potential relevance to combination drugs","CrystEngComm","2009","11","9","1823","","10.1039/b904616j","","","0.71073","MoKα","","0.1349","0.1233","","","0.3545","0.3615","","","","","","1.136","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201073","7.1283","0.0014","16.242","0.003","12.904","0.003","90","","96.25","0.03","90","","1485.1","0.5","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Form III of 1:1 cocrystal of ethenzamide and gentisic acid","Form III of 1:1 cocrystal of ethenzamide and gentisic acid","","- C16 H17 N O6 -","- C16 H17 N O6 -","- C64 H68 N4 O24 -","4","1","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","Trimorphs of a pharmaceutical cocrystal involving two active pharmaceutical ingredients: potential relevance to combination drugs","CrystEngComm","2009","11","9","1823","","10.1039/b904616j","","","0.71073","MoKα","","0.0716","0.0619","","","0.1568","0.1657","","","","","","1.144","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201074","15.5453","0.0011","10.0554","0.0007","21.4858","0.0012","90","","113.182","0.004","90","","3087.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H72 Cu2 N4 O16 -","- C62 H72 Cu2 N4 O16 -","- C124 H144 Cu4 N8 O32 -","2","0.5","","Dai, Fangna; He, Haiyan; Gao, Dongliang; Ye, Fei; Qiu, Xiaoliang; Sun, Daofeng","Construction of copper metal‒organic systems based on paddlewheel SBU through altering the substituent positions of new flexible carboxylate ligands","CrystEngComm","2009","11","11","2516","","10.1039/b904671b","","","0.71073","MoKα","","0.0849","0.0549","","","0.1488","0.1746","","","","","","1.042","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201075","10.568","0.002","14.124","0.003","14.562","0.005","111.999","0.005","96.899","0.005","111.303","0.004","1793.1","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H84 Cu2 N6 O18 -","- C72 H80 Cu2 N6 O18 -","- C72 H80 Cu2 N6 O18 -","1","0.5","","Dai, Fangna; He, Haiyan; Gao, Dongliang; Ye, Fei; Qiu, Xiaoliang; Sun, Daofeng","Construction of copper metal‒organic systems based on paddlewheel SBU through altering the substituent positions of new flexible carboxylate ligands","CrystEngComm","2009","11","11","2516","","10.1039/b904671b","","","0.71073","MoKα","","0.0873","0.0562","","","0.1487","0.1899","","","","","","1.077","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201076","10.4913","0.0009","11.0159","0.0009","12.4366","0.001","89.118","0.001","89.041","0.001","79.857","0.001","1414.5","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H60 Cu2 N4 O12 S4 -","- C56 H60 Cu2 N4 O12 S4 -","- C56 H60 Cu2 N4 O12 S4 -","1","0.5","","Dai, Fangna; He, Haiyan; Gao, Dongliang; Ye, Fei; Qiu, Xiaoliang; Sun, Daofeng","Construction of copper metal‒organic systems based on paddlewheel SBU through altering the substituent positions of new flexible carboxylate ligands","CrystEngComm","2009","11","11","2516","","10.1039/b904671b","","","0.71073","MoKα","","0.0598","0.0463","","","0.1396","0.1535","","","","","","1.065","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201077","17.258","0.005","10.889","0.003","31.014","0.008","90","","95.417","0.004","90","","5802","3","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H58 Cu2 N8 O13 S4 -","- C52 H58 Cu2 N8 O13 S4 -","- C208 H232 Cu8 N32 O52 S16 -","4","0.5","","Dai, Fangna; He, Haiyan; Gao, Dongliang; Ye, Fei; Qiu, Xiaoliang; Sun, Daofeng","Construction of copper metal‒organic systems based on paddlewheel SBU through altering the substituent positions of new flexible carboxylate ligands","CrystEngComm","2009","11","11","2516","","10.1039/b904671b","","","0.71073","MoKα","","0.0707","0.042","","","0.1027","0.121","","","","","","1.022","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201078","10.9927","0.0008","12.5852","0.0009","10.1326","0.0006","90","","94.364","0.002","90","","1397.73","0.16","290","2","290","2","","","","","","","","4","C 1 c 1","C -2yc","9","2-(3-(4-hydroxystyryl)cyclohex-2-enylidene)malononitrile","2-(3-(4-hydroxystyryl)cyclohex-2-enylidene)malononitrile","","- C17 H14 N2 O -","- C17 H14 N2 O -","- C68 H56 N8 O4 -","4","1","","Kwon, O-Pil; Jazbinsek, Mojca; Yun, Hoseop; Seo, Jung-In; Seo, Ji-Youn; Kwon, Seong-Ji; Lee, Yoon Sup; Günter, Peter","Crystal engineering by eliminating weak hydrogen bonding sites in phenolic polyene nonlinear optical crystals","CrystEngComm","2009","11","8","1541","","10.1039/b904688g","","","0.71073","MoKα","","0.0388","0.0345","","","0.1051","0.1123","","","","","","1.118","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201079","9.52609","0.00008","15.46723","0.00016","17.22783","0.00016","90","","93.458","0.0006","90","","2533.77","0.04","300","","300","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tris(nitrato-O,O')bis(1,10-phenanthroline-N,N')europium(III)""","","- C24 H16 Eu N7 O9 -","- C24 H16 Eu N7 O9 -","- C96 H64 Eu4 N28 O36 -","4","0.5","","Werner, Franz; Tada, Kentaro; Ishii, Ayumi; Takata, Masaki; Hasegawa, Miki","The key role of accurate lattice parameters in revealing subtle structural differences—a case study in the system [Ln(phen/phen-d8)2(NO3)3]","CrystEngComm","2009","11","7","1197","","10.1039/b904694c","powder diffraction","x-ray","1.00224","","","","","","","","","0.05144","","1.35","","","","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201080","8.74","0.0017","11.111","0.002","16.82","0.003","101.26","0.03","104.48","0.03","98.16","0.03","1519.4","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H24 Ag3 N0 O27 Tb -","- C21 H24 Ag3 O27 Tb -","- C42 H48 Ag6 O54 Tb2 -","2","1","","Zhang, Zhen-Jie; Shi, Wei; Huang, Yong-Quan; Zhao, Bin; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","The self-assembly of a heteronuclear complex monitored with ESI-MS and fluorescence spectrophotometry","CrystEngComm","2009","11","9","1811","","10.1039/b904704m","","","0.71073","MoKα","","0.0505","0.0387","","","0.0909","0.0986","","","","","","1.02","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201081","15.67","0.009","3.5182","0.0018","15.036","0.008","90","","104.523","0.007","90","","802.5","0.8","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H5 Ag O7 -","- C7 H5 Ag O7 -","- C28 H20 Ag4 O28 -","4","1","","Zhang, Zhen-Jie; Shi, Wei; Huang, Yong-Quan; Zhao, Bin; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","The self-assembly of a heteronuclear complex monitored with ESI-MS and fluorescence spectrophotometry","CrystEngComm","2009","11","9","1811","","10.1039/b904704m","","","0.7107","MoKα","","0.0337","0.026","","","0.0626","0.0665","","","","","","1.074","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201082","9.0103","0.0006","14.9957","0.0011","9.0466","0.0008","90","","96.139","0.007","90","","1215.33","0.16","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H15 Gd O9 -","- C6 H15 Gd O9 -","- C24 H60 Gd4 O36 -","4","1","","Cañadillas-Delgado, Laura; Fabelo, Oscar; Cano, Joan; Pasán, Jorge; Delgado, Fernando S.; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Dinuclear and two- and three-dimensional gadolinium(III) complexes with mono- and dicarboxylate ligands: synthesis, structure and magnetic properties","CrystEngComm","2009","11","10","2131","","10.1039/b904764f","","x-ray","0.71073","MoKα","","0.0289","0.0193","","","0.0358","0.0377","","","","","","1.05","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201083","8.4598","0.0003","8.549","0.0006","8.8472","0.0006","118.662","0.005","113.552","0.005","90.379","0.004","498.8","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H9 Gd O8 -","- C6 H5 Gd O8 -","- C12 H10 Gd2 O16 -","2","1","","Cañadillas-Delgado, Laura; Fabelo, Oscar; Cano, Joan; Pasán, Jorge; Delgado, Fernando S.; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Dinuclear and two- and three-dimensional gadolinium(III) complexes with mono- and dicarboxylate ligands: synthesis, structure and magnetic properties","CrystEngComm","2009","11","10","2131","","10.1039/b904764f","","x-ray","0.71073","MoKα","","0.0526","0.0476","","","0.145","0.1484","","","","","","1.143","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201084","9.6673","0.0003","15.4344","0.0003","27.2399","0.0003","90","","90","","90","","4064.44","0.16","293","2","293","2","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C5 H10 Gd O10 -","- C5 H6 Gd O10 -","- C80 H96 Gd16 O160 -","16","0.5","","Cañadillas-Delgado, Laura; Fabelo, Oscar; Cano, Joan; Pasán, Jorge; Delgado, Fernando S.; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Dinuclear and two- and three-dimensional gadolinium(III) complexes with mono- and dicarboxylate ligands: synthesis, structure and magnetic properties","CrystEngComm","2009","11","10","2131","","10.1039/b904764f","","x-ray","0.71073","MoKα","","0.0363","0.0238","","","0.0354","0.0375","","","","","","1.143","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201085","13.9822","0.0013","13.9822","0.0013","6.2233","0.0012","90","","90","","90","","1216.7","0.3","293","2","293","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C24 H26 N8 O4 Zn -","- C24 H16 N8 O4 Zn -","- C48 H32 N16 O8 Zn2 -","2","0.25","","Xu, Jing; Bai, Zheng-Shuai; Chen, Man-Sheng; Su, Zhi; Chen, Shui-Sheng; Sun, Wei-Yin","Metal‒organic frameworks with six- and four-fold interpenetration and their photoluminescence and adsorption property","CrystEngComm","2009","11","12","2728","","10.1039/b904784k","","","0.71073","MoKα","","0.0717","0.0572","","","0.1408","0.1493","","","","","","1.096","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7201086","13.327","0.003","8.6627","0.0019","11.1","0.002","90","","90","","90","","1281.5","0.5","293","2","293","2","","","","","","","","6","P b a n :2","-P 2ab 2b","50","","","","- C24 H24 Cl2 Cu N8 O2 -","- C24 H20 Cl2 Cu N8 O2 -","- C48 H40 Cl4 Cu2 N16 O4 -","2","0.25","","Xu, Jing; Bai, Zheng-Shuai; Chen, Man-Sheng; Su, Zhi; Chen, Shui-Sheng; Sun, Wei-Yin","Metal‒organic frameworks with six- and four-fold interpenetration and their photoluminescence and adsorption property","CrystEngComm","2009","11","12","2728","","10.1039/b904784k","","","0.71073","MoKα","","0.0735","0.0603","","","0.1639","0.1698","","","","","","1.148","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201087","15.661","0.002","16.626","0.002","24.8","0.003","73.646","0.01","72.264","0.01","69.575","0.01","5651.6","1.3","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C209 H292 F48 I8 N2 O10 -","- C209 H292 F48 I8 N2 O10 -","- C209 H292 F48 I8 N2 O10 -","1","0.5","","Gattuso, Giuseppe; Notti, Anna; Pappalardo, Sebastiano; Parisi, Melchiorre F.; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo","Ion-pair separation via selective inclusion/segregation processes","CrystEngComm","2009","11","7","1204","","10.1039/b904811c","","","0.71073","MoKα","","0.0792","0.0411","","","0.0894","0.1041","","","","","","1.003","","","","has coordinates,has disorder","180341","2020-10-21","18:00:00",""
"7201088","3.77","0.0008","25.66","0.005","16.43","0.003","90","","95.23","0.03","90","","1582.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 Cl5 Cu4 N2 -","- C12 H8 Cl5 Cu4 N2 -","- C48 H32 Cl20 Cu16 N8 -","4","1","","Jian, Fang Fang; Huang, Li Hua; Huang, Bao Xin; Wang, Jing; Wang, Xian","The nanoscale drum-gong-cymbal-like mixed-valence CuIICuI3 cluster polymer and magnetism study","CrystEngComm","2009","11","9","1796","","10.1039/b904818a","","","0.71073","MoKα","","0.0673","0.0435","","","0.1006","0.113","","","","","","1.049","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201089","11.4289","0.0017","19.667","0.003","27.089","0.004","90","","96.519","0.003","90","","6049.5","1.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H79 Cl6 N9 O32 -","- C38 H75 Cl6 N9 O32 -","- C152 H300 Cl24 N36 O128 -","4","1","","Yang, Li-Zi; Li, Yu; Jiang, Long; Feng, Xiao-Long; Lu, Tong-Bu","Size and temperature dependent encapsulation of tetrahedral anions by a protonated cryptand host","CrystEngComm","2009","11","11","2375","2380","10.1039/b904838c","","","0.71073","MoKα","","0.1316","0.0722","","","0.2061","0.2477","","","","","","1.05","","","","has coordinates,has disorder","218501","2020-10-21","18:00:00",""
"7201090","16.602","0.002","18.921","0.002","23.048","0.003","90","","108.427","0.002","90","","6868.8","1.4","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C72 H204 N16 O88 P16 -","- C72 H148 N16 O88 P16 -","- C144 H296 N32 O176 P32 -","2","1","","Yang, Li-Zi; Li, Yu; Jiang, Long; Feng, Xiao-Long; Lu, Tong-Bu","Size and temperature dependent encapsulation of tetrahedral anions by a protonated cryptand host","CrystEngComm","2009","11","11","2375","2380","10.1039/b904838c","","","0.71073","MoKα","","0.1533","0.11","","","0.2334","0.259","","","","","","0.947","","","","has coordinates,has disorder","218501","2020-10-21","18:00:00",""
"7201091","26.684","0.0007","12.7451","0.0005","21.3537","0.0005","90","","98.737","0.002","90","","7177.9","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H110 N8 O48 P8 -","- C36 H68 N8 O48 P8 -","- C144 H272 N32 O192 P32 -","4","1","","Yang, Li-Zi; Li, Yu; Jiang, Long; Feng, Xiao-Long; Lu, Tong-Bu","Size and temperature dependent encapsulation of tetrahedral anions by a protonated cryptand host","CrystEngComm","2009","11","11","2375","2380","10.1039/b904838c","","","0.71073","MoKα","","0.1076","0.0728","","","0.2017","0.2382","","","","","","1.056","","","","has coordinates,has disorder","218501","2020-10-21","18:00:00",""
"7201092","6.4134","0.0006","7.4639","0.0007","40.105","0.004","90","","94.439","0.004","90","","1914","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","lithium (triaqua (3,5-dinitrobenzoate) (4- (dimethylamino)benzoate))","lithium [triaqua (3,5-dinitrobenzoate) (4-(dimethylamino)benzoate)]","","- C16 H19 Li2 N3 O11 -","- C16 H19 Li2 N3 O11 -","- C64 H76 Li8 N12 O44 -","4","1","","Seaton, Colin C.; Scowen, Ian J.; Blagden, Nicholas","Formation of a hybrid coordination-molecular complex","CrystEngComm","2009","11","9","1793","","10.1039/b904908h","","","0.71073","MoKα","","0.0663","0.0525","","","0.1489","0.1585","","","","","","1.027","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201093","18.582","0.002","20.431","0.003","25.719","0.003","103.07","0.02","95.62","0.02","107.28","0.02","8938","3","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C53.13 H51.25 B Cl0.25 N4 Ni O3 -","- C53.125 H51.25 B Cl0.25 N4 Ni O3 -","- C425 H410 B8 Cl2 N32 Ni8 O24 -","8","4","","Halder, Partha; Chakraborty, Biswarup; Banerjee, Priya Ranjan; Zangrando, Ennio; Paine, Tapan Kanti","Role of α-hydroxycarboxylic acids in the construction of supramolecular assemblies of nickel(ii) complexes with nitrogen donor coligands","CrystEngComm","2009","11","12","2650","","10.1039/b904939h","","","0.71073","MoKα","","0.0859","0.052","","","0.1193","0.1368","","","","","","1.026","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201094","12.615","0.002","11.356","0.002","17.992","0.003","90","","107.62","0.02","90","","2456.5","0.8","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C57 H57 B N6 Ni O3 -","- C57 H57 B N6 Ni O3 -","- C114 H114 B2 N12 Ni2 O6 -","2","1","","Halder, Partha; Chakraborty, Biswarup; Banerjee, Priya Ranjan; Zangrando, Ennio; Paine, Tapan Kanti","Role of α-hydroxycarboxylic acids in the construction of supramolecular assemblies of nickel(ii) complexes with nitrogen donor coligands","CrystEngComm","2009","11","12","2650","","10.1039/b904939h","","","0.71073","MoKα","","0.0399","0.0327","","","0.07","0.0727","","","","","","1.03","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201095","16.708","0.004","11.93","0.003","24.401","0.005","90","","96.63","0.03","90","","4831","2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C59 H55 B N4 Ni O3 -","- C59 H55 B N4 Ni O3 -","- C236 H220 B4 N16 Ni4 O12 -","4","1","","Halder, Partha; Chakraborty, Biswarup; Banerjee, Priya Ranjan; Zangrando, Ennio; Paine, Tapan Kanti","Role of α-hydroxycarboxylic acids in the construction of supramolecular assemblies of nickel(ii) complexes with nitrogen donor coligands","CrystEngComm","2009","11","12","2650","","10.1039/b904939h","","","0.71073","MoKα","","0.0597","0.0391","","","0.0923","0.1025","","","","","","1.016","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201096","14.894","0.004","17.722","0.003","10.154","0.003","90","","90","","90","","2680.2","1.2","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C26 H28 N4 Ni O7 -","- C26 H26 N4 Ni O7 -","- C104 H104 N16 Ni4 O28 -","4","0.5","","Halder, Partha; Chakraborty, Biswarup; Banerjee, Priya Ranjan; Zangrando, Ennio; Paine, Tapan Kanti","Role of α-hydroxycarboxylic acids in the construction of supramolecular assemblies of nickel(ii) complexes with nitrogen donor coligands","CrystEngComm","2009","11","12","2650","","10.1039/b904939h","","","0.71073","MoKα","","0.0463","0.0321","","","0.0745","0.0819","","","","","","1.028","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201097","16.11","0.003","16.11","0.003","43.693","0.006","90","","90","","90","","11340","3","150","2","150","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C27.75 H29.5 N4.5 Ni O6.5 -","- C27.75 H29.25 N4.5 Ni O6.5 -","- C444 H468 N72 Ni16 O104 -","16","2","","Halder, Partha; Chakraborty, Biswarup; Banerjee, Priya Ranjan; Zangrando, Ennio; Paine, Tapan Kanti","Role of α-hydroxycarboxylic acids in the construction of supramolecular assemblies of nickel(ii) complexes with nitrogen donor coligands","CrystEngComm","2009","11","12","2650","","10.1039/b904939h","","","0.71073","MoKα","","0.0655","0.0463","","","0.1027","0.1109","","","","","","1.019","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201098","11.621","0.002","13.006","0.002","15.093","0.003","74.5","0.02","68.63","0.02","66.967","0.01","1934.2","0.7","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C40.5 H44 N4 Ni O8.5 -","- C40.5 H44 N4 Ni O8.5 -","- C81 H88 N8 Ni2 O17 -","2","1","","Halder, Partha; Chakraborty, Biswarup; Banerjee, Priya Ranjan; Zangrando, Ennio; Paine, Tapan Kanti","Role of α-hydroxycarboxylic acids in the construction of supramolecular assemblies of nickel(ii) complexes with nitrogen donor coligands","CrystEngComm","2009","11","12","2650","","10.1039/b904939h","","","0.71073","MoKα","","0.0446","0.0359","","","0.0895","0.0941","","","","","","1.044","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201099","11.0527","0.001","11.3755","0.001","15.9775","0.0014","90","","103.634","0.001","90","","1952.2","0.3","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H20.4 N2 O4.2 Zn -","- C22 H20.4 N2 O4.2 Zn -","- C88 H81.6 N8 O16.8 Zn4 -","4","1","","Ma, Lu-Fang; Wang, Yao-Yu; Liu, Jian-Qiang; Yang, Guo-Ping; Du, Miao; Wang, Li-Ya","Delicate substituent effect of isophthalate tectons on the structural assembly of diverse 4-connected metal‒organic frameworks (MOFs)","CrystEngComm","2009","11","9","1800","","10.1039/b904977k","","","0.71073","MoKα","","0.0289","0.0251","","","0.0675","0.0698","","","","","","1.06","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7201100","7.4048","0.0007","17.8437","0.0017","18.2591","0.0017","90","","98.59","0.001","90","","2385.5","0.4","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H28 N2 O5 Zn -","- C25 H28 N2 O5 Zn -","- C100 H112 N8 O20 Zn4 -","4","1","","Ma, Lu-Fang; Wang, Yao-Yu; Liu, Jian-Qiang; Yang, Guo-Ping; Du, Miao; Wang, Li-Ya","Delicate substituent effect of isophthalate tectons on the structural assembly of diverse 4-connected metal‒organic frameworks (MOFs)","CrystEngComm","2009","11","9","1800","","10.1039/b904977k","","","0.71073","MoKα","","0.0337","0.0293","","","0.0776","0.0806","","","","","","1.02","","","","has coordinates,has disorder","180342","2020-10-21","18:00:00",""
"7201101","12.7027","0.0008","20.8321","0.0013","16.9577","0.0011","90","","102.889","0.001","90","","4374.3","0.5","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H44 N4 O12 Zn2 -","- C44 H44 N4 O12 Zn2 -","- C176 H176 N16 O48 Zn8 -","4","1","","Ma, Lu-Fang; Wang, Yao-Yu; Liu, Jian-Qiang; Yang, Guo-Ping; Du, Miao; Wang, Li-Ya","Delicate substituent effect of isophthalate tectons on the structural assembly of diverse 4-connected metal‒organic frameworks (MOFs)","CrystEngComm","2009","11","9","1800","","10.1039/b904977k","","","0.71073","MoKα","","0.045","0.0321","","","0.0784","0.085","","","","","","1.017","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201102","17.345","0.004","21.607","0.004","26.322","0.005","90","","110.05","0.02","90","","9267","3","291","2","291","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C18 H56 As2 K1.5 Na4.5 O84.5 Ru3 W17 Zn4 -","- C18 H18 As2 K1.5 Na4.5 O85.5 Ru3 W17 Zn4 -","- C72 H72 As8 K6 Na18 O342 Ru12 W68 Zn16 -","4","1","","Bi, Li-Hua; Hou, Guang-Feng; Wu, Li-Xin; Kortz, Ulrich","An organo-ruthenium grafted zinc-substituted tungstoarsenate","CrystEngComm","2009","11","8","1532","","10.1039/b905030b","","","0.71073","MoKα","","0.0878","0.0548","","","0.1195","0.1346","","","","","","0.967","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201103","13.1987","0.0002","13.1987","0.0002","9.247","0.0001","90","","90","","120","","1395.06","0.03","203","2","203","2","","","","","","","","7","P -3","-P 3","147","","","","- C18 H24 B3 F12 Fe N10 Na -","- C18 H24 B3 F12 Fe N10 Na -","- C36 H48 B6 F24 Fe2 N20 Na2 -","2","0.333333","","Alvarado, Luigi; Brewer, Cynthia; Brewer, Greg; Butcher, Ray J.; Straka, Alison; Viragh, Carol","Supramolecular assemblies prepared from an iron(II) tripodal complex, tetrafluoroborate, and alkali metal cations. The effect of cation size on coordination number, anion disorder and hydrogen bonding","CrystEngComm","2009","11","11","2297","","10.1039/b905061b","","","0.71073","MoKα","","0.0945","0.0714","","","0.2068","0.2332","","","","","","1.102","","","","has coordinates,has disorder","180342","2020-10-21","18:00:00",""
"7201104","13.2465","0.0004","13.2465","0.0004","9.1812","0.0003","90","","90","","120","","1395.19","0.08","203","2","203","2","","","","","","","","7","P -3","-P 3","147","","","","- C18 H24 B3 F12 Fe K N10 -","- C18 H24 B3 F12 Fe K N10 -","- C36 H48 B6 F24 Fe2 K2 N20 -","2","0.333333","","Alvarado, Luigi; Brewer, Cynthia; Brewer, Greg; Butcher, Ray J.; Straka, Alison; Viragh, Carol","Supramolecular assemblies prepared from an iron(II) tripodal complex, tetrafluoroborate, and alkali metal cations. The effect of cation size on coordination number, anion disorder and hydrogen bonding","CrystEngComm","2009","11","11","2297","","10.1039/b905061b","","","0.71073","MoKα","","0.0686","0.033","","","0.0656","0.0703","","","","","","0.849","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201105","13.286","0.0004","13.286","0.0004","9.2998","0.0002","90","","90","","120","","1421.65","0.07","203","2","203","2","","","","","","","","6","P -3","-P 3","147","","","","- C18 H28 B3 F12 Fe N11 -","- C18 H24 B3 F12 Fe N11 -","- C36 H48 B6 F24 Fe2 N22 -","2","0.333333","","Alvarado, Luigi; Brewer, Cynthia; Brewer, Greg; Butcher, Ray J.; Straka, Alison; Viragh, Carol","Supramolecular assemblies prepared from an iron(II) tripodal complex, tetrafluoroborate, and alkali metal cations. The effect of cation size on coordination number, anion disorder and hydrogen bonding","CrystEngComm","2009","11","11","2297","","10.1039/b905061b","","","0.71073","MoKα","","0.0585","0.035","","","0.098","0.1056","","","","","","1.045","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201106","13.466","0.0003","13.466","0.0003","9.4702","0.0002","90","","90","","120","","1487.19","0.06","296","2","296","2","","","","","","","","7","P -3","-P 3","147","","","","- C18 H24 B3 Cs F12 Fe N10 -","- C18 H24 B3 Cs F12 Fe N10 -","- C36 H48 B6 Cs2 F24 Fe2 N20 -","2","0.333333","","Alvarado, Luigi; Brewer, Cynthia; Brewer, Greg; Butcher, Ray J.; Straka, Alison; Viragh, Carol","Supramolecular assemblies prepared from an iron(II) tripodal complex, tetrafluoroborate, and alkali metal cations. The effect of cation size on coordination number, anion disorder and hydrogen bonding","CrystEngComm","2009","11","11","2297","","10.1039/b905061b","","","0.71073","MoKα","","0.0549","0.0361","","","0.0934","0.1095","","","","","","1.084","","","","has coordinates,has disorder","180342","2020-10-21","18:00:00",""
"7201107","13.384","0.0006","13.384","0.0006","9.3264","0.0003","90","","90","","120","","1446.83","0.1","296","2","296","2","","","","","","","","7","P -3","-P 3","147","","","","- C18 H24 B3 F12 Fe N10 Rb -","- C18 H24 B3 F12 Fe N10 Rb -","- C36 H48 B6 F24 Fe2 N20 Rb2 -","2","0.333333","","Alvarado, Luigi; Brewer, Cynthia; Brewer, Greg; Butcher, Ray J.; Straka, Alison; Viragh, Carol","Supramolecular assemblies prepared from an iron(II) tripodal complex, tetrafluoroborate, and alkali metal cations. The effect of cation size on coordination number, anion disorder and hydrogen bonding","CrystEngComm","2009","11","11","2297","","10.1039/b905061b","","","0.71073","MoKα","","0.0836","0.0327","","","0.0661","0.0843","","","","","","0.989","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201108","9.4059","0.0003","22.769","0.0005","12.165","0.0003","90","","110.168","0.003","90","","2445.55","0.12","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 B2 F8 Fe N10 -","- C18 H24 B2 F8 Fe N10 -","- C72 H96 B8 F32 Fe4 N40 -","4","1","","Alvarado, Luigi; Brewer, Cynthia; Brewer, Greg; Butcher, Ray J.; Straka, Alison; Viragh, Carol","Supramolecular assemblies prepared from an iron(II) tripodal complex, tetrafluoroborate, and alkali metal cations. The effect of cation size on coordination number, anion disorder and hydrogen bonding","CrystEngComm","2009","11","11","2297","","10.1039/b905061b","","","0.71073","MoKα","","0.0559","0.0418","","","0.1117","0.1162","","","","","","1.074","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201109","9.4643","0.0003","22.8067","0.0005","12.2058","0.0004","90","","110.189","0.003","90","","2472.74","0.13","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 B2 F8 Fe N10 -","- C18 H24 B2 F8 Fe N10 -","- C72 H96 B8 F32 Fe4 N40 -","4","1","","Alvarado, Luigi; Brewer, Cynthia; Brewer, Greg; Butcher, Ray J.; Straka, Alison; Viragh, Carol","Supramolecular assemblies prepared from an iron(II) tripodal complex, tetrafluoroborate, and alkali metal cations. The effect of cation size on coordination number, anion disorder and hydrogen bonding","CrystEngComm","2009","11","11","2297","","10.1039/b905061b","","","0.71073","MoKα","","0.0651","0.0489","","","0.1433","0.1506","","","","","","1.112","","","","has coordinates,has disorder","180342","2020-10-21","18:00:00",""
"7201110","9.8471","0.0006","22.6507","0.0011","12.5484","0.0006","90","","111.268","0.006","90","","2608.2","0.3","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 B2 F8 Fe N10 -","- C18 H24 B2 F8 Fe N10 -","- C72 H96 B8 F32 Fe4 N40 -","4","1","","Alvarado, Luigi; Brewer, Cynthia; Brewer, Greg; Butcher, Ray J.; Straka, Alison; Viragh, Carol","Supramolecular assemblies prepared from an iron(II) tripodal complex, tetrafluoroborate, and alkali metal cations. The effect of cation size on coordination number, anion disorder and hydrogen bonding","CrystEngComm","2009","11","11","2297","","10.1039/b905061b","","","0.71073","MoKα","","0.1763","0.0453","","","0.1056","0.1283","","","","","","0.796","","","","has coordinates,has disorder","180342","2020-10-21","18:00:00",""
"7201112","9.9192","0.0004","9.9192","0.0004","17.2456","0.0012","90","","90","","90","","1696.8","0.15","293","2","293","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- C9 H16 O2 -","- C9 H16 O2 -","- C72 H128 O16 -","8","1","","Wallentin, Carl-Johan; Orentas, Edvinas; Johnson, Magnus T.; Butkus, Eugenijus; Wendt, Ola F.; Öhrström, Lars; Wärnmark, Kenneth","Network analysis of bicyclo[3.3.1]nonanes: the diol, the dione and the acetal","CrystEngComm","2009","11","9","1837","","10.1039/b905122h","","","0.71073","MoKα","","0.0423","0.0376","","","0.1105","0.1156","","","","","","1.153","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201113","11.4565","0.0006","7.9243","0.0004","13.7482","0.0008","90","","106.287","0.006","90","","1198.04","0.12","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H20 O4 -","- C13 H20 O4 -","- C52 H80 O16 -","4","1","","Wallentin, Carl-Johan; Orentas, Edvinas; Johnson, Magnus T.; Butkus, Eugenijus; Wendt, Ola F.; Öhrström, Lars; Wärnmark, Kenneth","Network analysis of bicyclo[3.3.1]nonanes: the diol, the dione and the acetal","CrystEngComm","2009","11","9","1837","","10.1039/b905122h","","","0.71073","MoKα","","0.0745","0.0428","","","0.1137","0.1206","","","","","","1.049","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201114","6.9851","0.0004","6.9851","0.0004","29.362","0.003","90","","90","","120","","1240.68","0.16","293","2","293","2","","","","","","","","3","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C9 H12 O2 -","- C9 H12 O2 -","- C54 H72 O12 -","6","0.5","","Wallentin, Carl-Johan; Orentas, Edvinas; Johnson, Magnus T.; Butkus, Eugenijus; Wendt, Ola F.; Öhrström, Lars; Wärnmark, Kenneth","Network analysis of bicyclo[3.3.1]nonanes: the diol, the dione and the acetal","CrystEngComm","2009","11","9","1837","","10.1039/b905122h","","","0.71073","MoKα","","0.1051","0.0368","","","0.0748","0.0842","","","","","","1.018","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201115","24.831","0.005","9.586","0.005","10.703","0.005","90","","98.294","0.005","90","","2521","1.8","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C29 H20 N2 O4 Zn -","- C29 H20 N2 O4 Zn -","- C116 H80 N8 O16 Zn4 -","4","1","","Guo, Hua-Dong; Qiu, Dong-Fang; Guo, Xian-Min; Zheng, Guo-Li; Wang, Xiao; Dang, Song; Zhang, Hong-Jie","Entangled metal‒organic frameworks modulated by N-donor ligands of different conformations","CrystEngComm","2009","11","11","2425","","10.1039/b905190m","","","0.71069","MoKα","","0.0445","0.0394","","","0.0953","0.098","","","","","","0.976","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201116","33.894","0.005","21.734","0.005","20.42","0.005","90","","124.565","0.005","90","","12387","5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C47 H41 N3 O10 Zn2 -","- C44 H32 N2 O9 Zn2 -","- C352 H256 N16 O72 Zn16 -","8","1","","Guo, Hua-Dong; Qiu, Dong-Fang; Guo, Xian-Min; Zheng, Guo-Li; Wang, Xiao; Dang, Song; Zhang, Hong-Jie","Entangled metal‒organic frameworks modulated by N-donor ligands of different conformations","CrystEngComm","2009","11","11","2425","","10.1039/b905190m","","","0.71069","MoKα","","0.1297","0.0821","","","0.2704","0.3086","","","","","","1.056","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201117","32.5852","0.0015","20.8089","0.0009","16.3201","0.0007","90","","115.559","0.001","90","","9983.1","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C49 H41 N5 O11 Zn2 -","- C49 H37.5 N5 O11 Zn2 -","- C392 H300 N40 O88 Zn16 -","8","1","","Guo, Hua-Dong; Qiu, Dong-Fang; Guo, Xian-Min; Zheng, Guo-Li; Wang, Xiao; Dang, Song; Zhang, Hong-Jie","Entangled metal‒organic frameworks modulated by N-donor ligands of different conformations","CrystEngComm","2009","11","11","2425","","10.1039/b905190m","","","0.71073","MoKα","","0.0865","0.0561","","","0.1928","0.216","","","","","","1.076","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201118","20.621","0.005","11.347","0.005","20.071","0.005","90","","90","","90","","4696","3","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C48 H38 N4 O8 Zn2 -","- C48 H38 N4 O8 Zn2 -","- C192 H152 N16 O32 Zn8 -","4","0.5","","Guo, Hua-Dong; Qiu, Dong-Fang; Guo, Xian-Min; Zheng, Guo-Li; Wang, Xiao; Dang, Song; Zhang, Hong-Jie","Entangled metal‒organic frameworks modulated by N-donor ligands of different conformations","CrystEngComm","2009","11","11","2425","","10.1039/b905190m","","","0.71069","MoKα","","0.1689","0.0617","","","0.1269","0.1818","","","","","","0.957","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201119","9.2973","0.0019","18.077","0.004","16.677","0.003","90","","92.36","0.03","90","","2800.5","1","173","2","173","2","","","","","","","","3","P 1 n 1","P -2yac","7","1,1,2,2-tetraphenylethane-1,2-diol . 2(tetrahydrofuran)","1,1,2,2-tetraphenylethane-1,2-diol . 2(tetrahydrofuran)","","- C34 H38 O4 -","- C34 H38 O4 -","- C136 H152 O16 -","4","2","","Ramon, Gaëlle; Jacobs, Ayesha; Masuku, Lungile Z. N.; Nassimbeni, Luigi R.","Selectivity by benzopinacol","CrystEngComm","2009","11","11","2332","","10.1039/b905248h","","","0.71073","MoKα","","0.0742","0.045","","","0.1016","0.1146","","","","","","1.031","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201120","9.418","0.002","17.609","0.004","18.846","0.004","94.39","0.03","102.14","0.03","103.64","0.03","2943.1","1.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","1,1,2,2-tetraphenylethane-1,2-diol . 2(N,N-dimethylacetamide)","1,1,2,2-tetraphenylethane-1,2-diol . 2(N,N-dimethylacetamide)","","- C32 H40 N2 O4 -","- C34 H35.5 N2 O4 -","- C136 H142 N8 O16 -","4","2","","Ramon, Gaëlle; Jacobs, Ayesha; Masuku, Lungile Z. N.; Nassimbeni, Luigi R.","Selectivity by benzopinacol","CrystEngComm","2009","11","11","2332","","10.1039/b905248h","","","0.71073","MoKα","","0.1938","0.0873","","","0.218","0.2709","","","","","","1.058","","","","has coordinates,has disorder","180342","2020-10-21","18:00:00",""
"7201121","9.4758","0.0019","17.394","0.004","18.878","0.004","93.91","0.03","102.08","0.03","104.66","0.03","2919.3","1.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","1,1,2,2-tetraphenylethane-1,2-diol. 1.5(N,N- dimethylacetamide). 0.5(tetrahydrofuran)","1,1,2,2-tetraphenylethane-1,2-diol. 1.5(N,N-dimethylacetamide). 0.5(tetrahydrofuran)","","- C33 H38 N2 O4 -","- C33.5 H31.5 N2 O4 -","- C134 H126 N8 O16 -","4","2","","Ramon, Gaëlle; Jacobs, Ayesha; Masuku, Lungile Z. N.; Nassimbeni, Luigi R.","Selectivity by benzopinacol","CrystEngComm","2009","11","11","2332","","10.1039/b905248h","","","0.71073","MoKα","","0.0846","0.063","","","0.1807","0.1997","","","","","","1.01","","","","has coordinates,has disorder","180342","2020-10-21","18:00:00",""
"7201123","13.6263","0.0002","13.6263","0.0002","45.9922","0.0013","90","","90","","90","","8539.7","0.3","173","2","173","2","","","","","","","","8","P 43 21 2","P 4nw 2abw","96","","","","- C34 H32 Ag Br4 F6 N4 O8 P -","- C34 H32 Ag Br4 F6 N4 O8 P -","- C272 H256 Ag8 Br32 F48 N32 O64 P8 -","8","1","","Noh, Tae Hwan; Choi, Youn Jung; Ryu, Yoon Kyong; Lee, Young-A; Jung, Ok-Sang","2-Fold interpenetration via ligand-induced alternating perpendicular helical channel motifs. Structure of an acentric diamondoid silver(I) coordination polymer","CrystEngComm","2009","11","11","2371","","10.1039/b905296h","","","0.71073","MoKα","","0.0887","0.0445","","","0.0948","0.112","","","","","","1.044","","","","has coordinates,has disorder","180342","2020-10-21","18:00:00",""
"7201127","39.009","0.003","9.6104","0.0006","30.547","0.002","90","","120.865","0.001","90","","9830","1.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C83 H64 Cu10 Eu4 N23 O32 -","- C83 H64 Cu10 Eu4 N23 O32 -","- C332 H256 Cu40 Eu16 N92 O128 -","4","0.5","","Li, Zhao-Yang; Wang, Ning; Dai, Jing-Wei; Yue, Shan-Tang; Liu, Ying-Liang","A series of novel 2D heterometallic 3d‒4f heptanuclear complexes based on the linkages of Ln2(ina)6 chains and [Cu(CN)] chains","CrystEngComm","2009","11","9","2003","","10.1039/b905398k","","","0.71073","MoKα","","0.0454","0.0341","","","0.0782","0.0841","","","","","","1.042","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201128","38.977","0.003","9.5906","0.0006","30.516","0.002","90","","120.994","0.001","90","","9778.6","1.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C83 H64 Cu10 N23 O32 Tb4 -","- C83 H64 Cu10 N23 O32 Tb4 -","- C332 H256 Cu40 N92 O128 Tb16 -","4","0.5","","Li, Zhao-Yang; Wang, Ning; Dai, Jing-Wei; Yue, Shan-Tang; Liu, Ying-Liang","A series of novel 2D heterometallic 3d‒4f heptanuclear complexes based on the linkages of Ln2(ina)6 chains and [Cu(CN)] chains","CrystEngComm","2009","11","9","2003","","10.1039/b905398k","","","0.71073","MoKα","","0.0458","0.0343","","","0.0756","0.0808","","","","","","1.069","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201129","39.0134","0.0019","9.6043","0.0005","30.5304","0.0015","90","","120.886","0.001","90","","9817.4","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C83 H64 Cu10 Gd4 N23 O32 -","- C83 H64 Cu10 Gd4 N23 O32 -","- C332 H256 Cu40 Gd16 N92 O128 -","4","0.5","","Li, Zhao-Yang; Wang, Ning; Dai, Jing-Wei; Yue, Shan-Tang; Liu, Ying-Liang","A series of novel 2D heterometallic 3d‒4f heptanuclear complexes based on the linkages of Ln2(ina)6 chains and [Cu(CN)] chains","CrystEngComm","2009","11","9","2003","","10.1039/b905398k","","","0.71073","MoKα","","0.0471","0.0348","","","0.0763","0.0821","","","","","","1.031","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201130","39.02","0.002","9.6088","0.0005","30.5665","0.0015","90","","120.82","0.001","90","","9842","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C83 H64 Cu10 N23 O32 Sm4 -","- C83 H64 Cu10 N23 O32 Sm4 -","- C332 H256 Cu40 N92 O128 Sm16 -","4","0.5","","Li, Zhao-Yang; Wang, Ning; Dai, Jing-Wei; Yue, Shan-Tang; Liu, Ying-Liang","A series of novel 2D heterometallic 3d‒4f heptanuclear complexes based on the linkages of Ln2(ina)6 chains and [Cu(CN)] chains","CrystEngComm","2009","11","9","2003","","10.1039/b905398k","","","0.71073","MoKα","","0.0514","0.0366","","","0.0829","0.0905","","","","","","1.042","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201131","17.6646","0.0017","9.5625","0.0009","30.623","0.003","90","","107.761","0.004","90","","4926.2","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C83 H64 Cu10 N23 Nd4 O32 -","- C83 H64 Cu10 N23 Nd4 O32 -","- C166 H128 Cu20 N46 Nd8 O64 -","2","0.5","","Li, Zhao-Yang; Wang, Ning; Dai, Jing-Wei; Yue, Shan-Tang; Liu, Ying-Liang","A series of novel 2D heterometallic 3d‒4f heptanuclear complexes based on the linkages of Ln2(ina)6 chains and [Cu(CN)] chains","CrystEngComm","2009","11","9","2003","","10.1039/b905398k","","","0.71073","MoKα","","0.0624","0.043","","","0.0938","0.1032","","","","","","1.032","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201132","15.4163","0.0008","16.004","0.0008","16.1065","0.0008","71.766","0.001","67.93","0.001","68.095","0.001","3347.1","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","((Cu(C12H8N2)2)(Cu(C12H8N2)2(H20)))2 (C56H40O32S8) (H2O)2","","","- C152 H112 Cu4 N16 O36 S8 -","- C152 H112 Cu4 N16 O36 S8 -","- C152 H112 Cu4 N16 O36 S8 -","1","0.5","","Liu, Yabing; Liao, Wuping; Bi, Yanfeng; Wang, Meiyan; Wu, Zhijian; Wang, Xiaofei; Su, Zhongmin; Zhang, Hongjie","1,2,3,4-Alternate double cone conformational extreme in the supramolecular assemblies of p-sulfonatocalix[8]arene","CrystEngComm","2009","11","9","1803","","10.1039/b905407n","","","0.71073","MoKα","","0.0818","0.0486","","","0.1225","0.1333","","","","","","1.016","","","","has coordinates,has disorder","180342","2020-10-21","18:00:00",""
"7201133","15.262","0.003","16.038","0.004","16.236","0.004","71.345","0.003","67.762","0.002","68.625","0.003","3348.3","1.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","((Zn(C12H8N2)2)(Zn(C12H8N2)2(H20)))2 (C56H40O32S8) (H2O)2","","","- C152 H112 N16 O36 S8 Zn4 -","- C152 H112 N16 O36 S8 Zn4 -","- C152 H112 N16 O36 S8 Zn4 -","1","0.5","","Liu, Yabing; Liao, Wuping; Bi, Yanfeng; Wang, Meiyan; Wu, Zhijian; Wang, Xiaofei; Su, Zhongmin; Zhang, Hongjie","1,2,3,4-Alternate double cone conformational extreme in the supramolecular assemblies of p-sulfonatocalix[8]arene","CrystEngComm","2009","11","9","1803","","10.1039/b905407n","","","0.71073","MoKα","","0.0469","0.0369","","","0.0995","0.1035","","","","","","1.068","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201134","15.294","0.003","15.956","0.003","16.142","0.003","71.83","0.03","72.31","0.03","73.13","0.03","3481.6","1.4","186","2","186","2","","","","","","","","6","P -1","-P 1","2","((Cu(C12H8N2)2)(Cu(C12H8N2)2(H20)))2 (C56H40O32S8) (H2O)2","","","- C152 H112 Cu4 N16 O36 S8 -","- C152 H112 Cu4 N16 O36 S8 -","- C152 H112 Cu4 N16 O36 S8 -","1","0.5","","Liu, Yabing; Liao, Wuping; Bi, Yanfeng; Wang, Meiyan; Wu, Zhijian; Wang, Xiaofei; Su, Zhongmin; Zhang, Hongjie","1,2,3,4-Alternate double cone conformational extreme in the supramolecular assemblies of p-sulfonatocalix[8]arene","CrystEngComm","2009","11","9","1803","","10.1039/b905407n","","","0.71073","MoKα","","0.1056","0.0673","","","0.152","0.1682","","","","","","1.054","","","","has coordinates,has disorder","180342","2020-10-21","18:00:00",""
"7201137","12.116","0.002","9.3247","0.0019","13.73","0.003","90","","93.52","0.03","90","","1548.3","0.5","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H40 Cl4 N2 Pd -","- C32 H40 Cl4 N2 Pd -","- C64 H80 Cl8 N4 Pd2 -","2","0.5","","Peuronen, Anssi; Lahtinen, Manu; Valkonen, Jussi","The conformational polymorphism and weak interactions in solid state structures of ten new monomeric and dimeric substituted dibenzyldimethylammonium chloridopalladate salts","CrystEngComm","2009","11","11","2344","","10.1039/b905421a","","","0.71073","MoKα","","0.0927","0.0556","","","0.1072","0.12","","","","","","0.983","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201138","9.494","0.0019","15.26","0.003","13.493","0.003","90","","99.13","0.03","90","","1930.1","0.7","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H48 Cl6 N2 Pd2 -","- C36 H48 Cl6 N2 Pd2 -","- C72 H96 Cl12 N4 Pd4 -","2","0.5","","Peuronen, Anssi; Lahtinen, Manu; Valkonen, Jussi","The conformational polymorphism and weak interactions in solid state structures of ten new monomeric and dimeric substituted dibenzyldimethylammonium chloridopalladate salts","CrystEngComm","2009","11","11","2344","","10.1039/b905421a","","","0.71073","MoKα","","0.0457","0.0341","","","0.0686","0.0728","","","","","","1.033","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201139","9.564","0.0019","10.679","0.002","11.417","0.002","97.17","0.03","107.55","0.03","114.8","0.03","965.8","0.5","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H48 Cl6 N2 Pd2 -","- C36 H48 Cl6 N2 Pd2 -","- C36 H48 Cl6 N2 Pd2 -","1","0.5","","Peuronen, Anssi; Lahtinen, Manu; Valkonen, Jussi","The conformational polymorphism and weak interactions in solid state structures of ten new monomeric and dimeric substituted dibenzyldimethylammonium chloridopalladate salts","CrystEngComm","2009","11","11","2344","","10.1039/b905421a","","","0.71073","MoKα","","0.1326","0.0694","","","0.1075","0.1246","","","","","","1.022","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201140","10.332","0.002","10.381","0.002","11.125","0.002","107.93","0.03","105.75","0.03","109.92","0.03","968.3","0.6","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H48 Cl6 N2 Pd2 -","- C36 H48 Cl6 N2 Pd2 -","- C36 H48 Cl6 N2 Pd2 -","1","0.5","","Peuronen, Anssi; Lahtinen, Manu; Valkonen, Jussi","The conformational polymorphism and weak interactions in solid state structures of ten new monomeric and dimeric substituted dibenzyldimethylammonium chloridopalladate salts","CrystEngComm","2009","11","11","2344","","10.1039/b905421a","","","0.71073","MoKα","","0.0514","0.0378","","","0.0695","0.0737","","","","","","1.031","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201141","8.534","0.0017","10.496","0.002","10.809","0.002","67.6","0.03","75.21","0.03","79.37","0.03","861.4","0.4","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H48 Cl4 N2 Pd -","- C36 H48 Cl4 N2 Pd -","- C36 H48 Cl4 N2 Pd -","1","0.5","","Peuronen, Anssi; Lahtinen, Manu; Valkonen, Jussi","The conformational polymorphism and weak interactions in solid state structures of ten new monomeric and dimeric substituted dibenzyldimethylammonium chloridopalladate salts","CrystEngComm","2009","11","11","2344","","10.1039/b905421a","","","0.71069","MoKα","","0.0389","0.034","","","0.073","0.0749","","","","","","1.046","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201142","15.791","0.003","11.54","0.002","18.86","0.004","90","","93.92","0.03","90","","3428.8","1.1","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 Cl4 N2 Pd -","- C36 H48 Cl4 N2 Pd -","- C144 H192 Cl16 N8 Pd4 -","4","1","","Peuronen, Anssi; Lahtinen, Manu; Valkonen, Jussi","The conformational polymorphism and weak interactions in solid state structures of ten new monomeric and dimeric substituted dibenzyldimethylammonium chloridopalladate salts","CrystEngComm","2009","11","11","2344","","10.1039/b905421a","","","0.71073","MoKα","","0.0945","0.0563","","","0.1004","0.1118","","","","","","1.046","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201143","14.488","0.003","16.31","0.003","17.107","0.003","90","","105.13","0.03","90","","3902.2","1.4","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 Cl6 N2 Pd2 -","- C36 H48 Cl6 N2 Pd2 -","- C144 H192 Cl24 N8 Pd8 -","4","1","","Peuronen, Anssi; Lahtinen, Manu; Valkonen, Jussi","The conformational polymorphism and weak interactions in solid state structures of ten new monomeric and dimeric substituted dibenzyldimethylammonium chloridopalladate salts","CrystEngComm","2009","11","11","2344","","10.1039/b905421a","","","0.71073","MoKα","","0.1277","0.0563","","","0.0829","0.0995","","","","","","1.008","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201144","17.3444","0.0003","14.4107","0.0004","17.3961","0.0004","90","","118.501","0.001","90","","3821.12","0.16","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H48 Cl6 N2 Pd2 -","- C36 H48 Cl6 N2 Pd2 -","- C144 H192 Cl24 N8 Pd8 -","4","1","","Peuronen, Anssi; Lahtinen, Manu; Valkonen, Jussi","The conformational polymorphism and weak interactions in solid state structures of ten new monomeric and dimeric substituted dibenzyldimethylammonium chloridopalladate salts","CrystEngComm","2009","11","11","2344","","10.1039/b905421a","","","0.71073","MoKα","","0.0871","0.0466","","","0.0832","0.0939","","","","","","1.032","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201145","9.228","0.0018","13.467","0.003","13.912","0.003","90","","98.45","0.03","90","","1710.1","0.6","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H40 Cl6 N2 Pd2 -","- C32 H40 Cl6 N2 Pd2 -","- C64 H80 Cl12 N4 Pd4 -","2","0.5","","Peuronen, Anssi; Lahtinen, Manu; Valkonen, Jussi","The conformational polymorphism and weak interactions in solid state structures of ten new monomeric and dimeric substituted dibenzyldimethylammonium chloridopalladate salts","CrystEngComm","2009","11","11","2344","","10.1039/b905421a","","","0.71073","MoKα","","0.1829","0.0812","","","0.1375","0.1696","","","","","","1.003","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201146","11.223","0.002","10.657","0.002","15.065","0.003","90","","93.66","0.03","90","","1798.2","0.6","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 Cl4 N2 Pd -","- C36 H48 Cl4 N2 Pd -","- C72 H96 Cl8 N4 Pd2 -","2","0.5","","Peuronen, Anssi; Lahtinen, Manu; Valkonen, Jussi","The conformational polymorphism and weak interactions in solid state structures of ten new monomeric and dimeric substituted dibenzyldimethylammonium chloridopalladate salts","CrystEngComm","2009","11","11","2344","","10.1039/b905421a","","","0.71073","MoKα","","0.1612","0.0671","","","0.1406","0.1719","","","","","","1.011","","","","has coordinates,has disorder","180342","2020-10-21","18:00:00",""
"7201147","8.642","0.0017","10.201","0.002","10.998","0.002","63.85","0.03","82.5","0.03","65.19","0.03","788.2","0.4","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H40 Cl4 N2 Pd -","- C32 H40 Cl4 N2 Pd -","- C32 H40 Cl4 N2 Pd -","1","0.5","","Peuronen, Anssi; Lahtinen, Manu; Valkonen, Jussi","The conformational polymorphism and weak interactions in solid state structures of ten new monomeric and dimeric substituted dibenzyldimethylammonium chloridopalladate salts","CrystEngComm","2009","11","11","2344","","10.1039/b905421a","","","0.71073","MoKα","","0.0481","0.038","","","0.0778","0.0816","","","","","","1.048","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201148","8.277","0.0017","10.612","0.002","11.527","0.002","107.25","0.03","105.75","0.03","103.75","0.03","873.1","0.5","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H48 Cl4 N2 Pd -","- C36 H48 Cl4 N2 Pd -","- C36 H48 Cl4 N2 Pd -","1","0.5","","Peuronen, Anssi; Lahtinen, Manu; Valkonen, Jussi","The conformational polymorphism and weak interactions in solid state structures of ten new monomeric and dimeric substituted dibenzyldimethylammonium chloridopalladate salts","CrystEngComm","2009","11","11","2344","","10.1039/b905421a","","","0.71073","MoKα","","0.0379","0.0323","","","0.0695","0.0719","","","","","","1.016","","","","has coordinates,has disorder","180342","2020-10-21","18:00:00",""
"7201149","14.957","0.004","25.307","0.006","14.785","0.003","90","","90.579","0.005","90","","5596","2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H60 Cu2 N4 O14 -","- C60 H60 Cu2 N4 O14 -","- C240 H240 Cu8 N16 O56 -","4","1","","Liu, Jian-Qiang; Wang, Yao-Yu; Liu, Ping; Dong, Zhe; Shi, Qi-Zhen; Batten, Stuart R.","Two coordination polymers displaying unusual threefold 1D\ρightarrow 1D and threefold 2D→3D interpenetration topologies","CrystEngComm","2009","11","7","1207","","10.1039/b905427h","","","0.71073","MoKα","","0.1419","0.0597","","","0.1473","0.1673","","","","","","0.859","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201150","17.868","0.003","19.035","0.004","14.429","0.003","90","","101.648","0.003","90","","4806.5","1.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H50 Co2 N2 O14 -","- C49 H50 Co2 N2 O14 -","- C196 H200 Co8 N8 O56 -","4","1","","Liu, Jian-Qiang; Wang, Yao-Yu; Liu, Ping; Dong, Zhe; Shi, Qi-Zhen; Batten, Stuart R.","Two coordination polymers displaying unusual threefold 1D\ρightarrow 1D and threefold 2D→3D interpenetration topologies","CrystEngComm","2009","11","7","1207","","10.1039/b905427h","","","0.71073","MoKα","","0.1426","0.0661","","","0.1745","0.2272","","","","","","1.013","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201151","10.1901","0.0017","14.441","0.002","14.56","0.002","77.697","0.006","76.965","0.006","73.843","0.005","1978.9","0.5","103.1","","","","","","","","","","","8","P -1","-P 1","2","","","","- C72 H40 Cl8 F8 N8 O16 Ru4 S2 -","- C72 H40 Cl8 F8 N8 O16 Ru4 S2 -","- C72 H40 Cl8 F8 N8 O16 Ru4 S2 -","1","0.5","","Motokawa, N.; Oyama, T.; Matsunaga, S.; Miyasaka, H.; Yamashita, M.; Dunbar, K. R.","Charge-transfer two-dimensional layers constructed from a 2 : 1 assembly of paddlewheel diruthenium(II,II) complexes and bis[1,2,5]thiadizolotetracyanoquinodimethane: bulk magnetic behavior as a function of inter-layer interactions","CrystEngComm","2009","11","10","2121","","10.1039/b905486c","","","0.71075","MoKa","","","0.0539","","","","0.1299","","","","","","1.067","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201152","10.5292","0.0001","13.169","0.0005","15.8886","0.0002","80.575","0.009","79.368","0.007","74.815","0.009","2074.14","0.13","93.1","","","","","","","","","","","8","P -1","-P 1","2","","","","- C84 H50 Cl6 F8 N8 O16 Ru4 S2 -","- C84 H50 Cl6 F8 N8 O16 Ru4 S2 -","- C84 H50 Cl6 F8 N8 O16 Ru4 S2 -","1","0.5","","Motokawa, N.; Oyama, T.; Matsunaga, S.; Miyasaka, H.; Yamashita, M.; Dunbar, K. R.","Charge-transfer two-dimensional layers constructed from a 2 : 1 assembly of paddlewheel diruthenium(II,II) complexes and bis[1,2,5]thiadizolotetracyanoquinodimethane: bulk magnetic behavior as a function of inter-layer interactions","CrystEngComm","2009","11","10","2121","","10.1039/b905486c","","","0.7107","MoKa","","","0.0645","","","","0.2097","","","","","","1.063","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201153","10.7149","0.0005","11.8405","0.0005","15.6861","0.0006","90","","132.593","0.002","90","","1465.07","0.12","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","thiophanate-methyl","","","- C12 H14 N4 O4 S2 -","- C12 H14 N4 O4 S2 -","- C48 H56 N16 O16 S8 -","4","1","","Nauha, Elisa; Saxell, Heidi; Nissinen, Maija; Kolehmainen, Erkki; Schäfer, Ansgar; Schlecker, Rainer","Polymorphism and versatile solvate formation of thiophanate-methyl","CrystEngComm","2009","11","11","2536","","10.1039/b905511h","","","1.54178","CuKα","","0.0453","0.0402","","","0.1128","0.1199","","","","","","1.187","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201154","8.9524","0.0018","20.073","0.004","8.9959","0.0018","90","","107.48","0.03","90","","1541.9","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","thiophanate-methyl","","","- C12 H14 N4 O4 S2 -","- C12 H14 N4 O4 S2 -","- C48 H56 N16 O16 S8 -","4","1","","Nauha, Elisa; Saxell, Heidi; Nissinen, Maija; Kolehmainen, Erkki; Schäfer, Ansgar; Schlecker, Rainer","Polymorphism and versatile solvate formation of thiophanate-methyl","CrystEngComm","2009","11","11","2536","","10.1039/b905511h","","","1.54178","CuKα","","0.0467","0.0415","","","0.1078","0.1125","","","","","","1.059","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201155","10.641","0.002","13.751","0.003","20.181","0.004","74.62","0.03","85.49","0.03","77.97","0.03","2783.8","1.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","thiophanate-methyl,acetonitrile monohydrate","","","- C41 H51.5 N14.5 O13 S6 -","- C41 H49.5 N14.5 O13 S6 -","- C82 H99 N29 O26 S12 -","2","1","","Nauha, Elisa; Saxell, Heidi; Nissinen, Maija; Kolehmainen, Erkki; Schäfer, Ansgar; Schlecker, Rainer","Polymorphism and versatile solvate formation of thiophanate-methyl","CrystEngComm","2009","11","11","2536","","10.1039/b905511h","","","1.54178","CuKα","","0.1099","0.0725","","","0.1745","0.2014","","","","","","1.065","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201156","9.313","0.006","10.145","0.006","10.777","0.007","83.04","0.04","80","0.04","80.12","0.04","983.5","1.1","103","2","103","2","","","","","","","","6","P -1","-P 1","2","thiophanate-methyl, dichloromethane","","","- C13 H16 Cl2 N4 O4 S2 -","- C13 H16 Cl2 N4 O4 S2 -","- C26 H32 Cl4 N8 O8 S4 -","2","1","","Nauha, Elisa; Saxell, Heidi; Nissinen, Maija; Kolehmainen, Erkki; Schäfer, Ansgar; Schlecker, Rainer","Polymorphism and versatile solvate formation of thiophanate-methyl","CrystEngComm","2009","11","11","2536","","10.1039/b905511h","","","1.54178","CuKα","","0.0835","0.0684","","","0.1772","0.1881","","","","","","1.056","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201157","9.313","0.002","10.15","0.002","10.735","0.002","82.061","0.011","79.396","0.012","79.411","0.012","974.7","0.3","103","2","103","2","","","","","","","","6","P -1","-P 1","2","thiophanate-methyl, 1,2-dichloromethane","","","- C14 H18 Cl2 N4 O4 S2 -","- C14 H18 Cl2 N4 O4 S2 -","- C28 H36 Cl4 N8 O8 S4 -","2","1","","Nauha, Elisa; Saxell, Heidi; Nissinen, Maija; Kolehmainen, Erkki; Schäfer, Ansgar; Schlecker, Rainer","Polymorphism and versatile solvate formation of thiophanate-methyl","CrystEngComm","2009","11","11","2536","","10.1039/b905511h","","","1.54178","CuKα","","0.0418","0.0358","","","0.091","0.0934","","","","","","1.059","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201158","10.016","0.003","11.43","0.003","15.904","0.005","101.734","0.01","90.33","0.011","107.692","0.009","1693.9","0.9","103","2","103","2","","","","","","","","5","P -1","-P 1","2","thiophanate-methyl, methanol","","","- C25 H32 N8 O9 S4 -","- C25 H28 N8 O9 S4 -","- C50 H56 N16 O18 S8 -","2","1","","Nauha, Elisa; Saxell, Heidi; Nissinen, Maija; Kolehmainen, Erkki; Schäfer, Ansgar; Schlecker, Rainer","Polymorphism and versatile solvate formation of thiophanate-methyl","CrystEngComm","2009","11","11","2536","","10.1039/b905511h","","","1.54178","CuKα","","0.1077","0.0726","","","0.1975","0.2339","","","","","","1.104","","","","has coordinates,has disorder","180342","2020-10-21","18:00:00",""
"7201159","9.8415","0.0019","11.37","0.002","15.988","0.003","78.986","0.01","89.335","0.01","72.146","0.011","1669.4","0.6","103","2","103","2","","","","","","","","5","P -1","-P 1","2","thiophanate-methyl, ethanol","","","- C26 H34 N8 O9 S4 -","- C26 H34 N8 O9 S4 -","- C52 H68 N16 O18 S8 -","2","1","","Nauha, Elisa; Saxell, Heidi; Nissinen, Maija; Kolehmainen, Erkki; Schäfer, Ansgar; Schlecker, Rainer","Polymorphism and versatile solvate formation of thiophanate-methyl","CrystEngComm","2009","11","11","2536","","10.1039/b905511h","","","1.54178","CuKα","","0.1835","0.1717","","","0.4942","0.4969","","","","","","2.166","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201160","10.206","0.002","11.153","0.002","17.062","0.003","76.69","0.03","86.07","0.03","72.46","0.03","1802.1","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H34 N8 O9 S4 -","- C27 H34 N8 O9 S4 -","- C54 H68 N16 O18 S8 -","2","1","","Nauha, Elisa; Saxell, Heidi; Nissinen, Maija; Kolehmainen, Erkki; Schäfer, Ansgar; Schlecker, Rainer","Polymorphism and versatile solvate formation of thiophanate-methyl","CrystEngComm","2009","11","11","2536","","10.1039/b905511h","","","1.54178","CuKα","","0.0555","0.0487","","","0.1271","0.134","","","","","","1.022","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201161","11.277","0.003","17.368","0.004","19.902","0.005","92.21","0.012","103.76","0.011","100.772","0.01","3705.3","1.6","103","2","103","2","","","","","","","","5","P -1","-P 1","2","thiophanate-methyl, cyclohexanone","","","- C30 H38 N8 O9 S4 -","- C30 H38 N8 O9 S4 -","- C120 H152 N32 O36 S16 -","4","2","","Nauha, Elisa; Saxell, Heidi; Nissinen, Maija; Kolehmainen, Erkki; Schäfer, Ansgar; Schlecker, Rainer","Polymorphism and versatile solvate formation of thiophanate-methyl","CrystEngComm","2009","11","11","2536","","10.1039/b905511h","","","1.54178","CuKα","","0.0655","0.0411","","","0.0938","0.104","","","","","","1.038","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201162","26.524","0.015","10.321","0.005","17.428","0.01","90","","94.66","0.03","90","","4755","4","103","2","103","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","thiophanate-methyl, dimethylsulfoxide","","","- C14 H20 N4 O5 S3 -","- C14 H20 N4 O5 S3 -","- C112 H160 N32 O40 S24 -","8","1","","Nauha, Elisa; Saxell, Heidi; Nissinen, Maija; Kolehmainen, Erkki; Schäfer, Ansgar; Schlecker, Rainer","Polymorphism and versatile solvate formation of thiophanate-methyl","CrystEngComm","2009","11","11","2536","","10.1039/b905511h","","","1.54178","CuKα","","0.1186","0.0899","","","0.2145","0.225","","","","","","0.988","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201163","10.626","0.002","14.706","0.003","14.739","0.003","63.51","0.03","77.34","0.03","74.82","0.03","1975.4","0.9","173","2","173","2","","","","","","","","6","P -1","-P 1","2","thiophanate-methyl, chloroform","","","- C13 H15 Cl3 N4 O4 S2 -","- C13 H15 Cl3 N4 O4 S2 -","- C52 H60 Cl12 N16 O16 S8 -","4","2","","Nauha, Elisa; Saxell, Heidi; Nissinen, Maija; Kolehmainen, Erkki; Schäfer, Ansgar; Schlecker, Rainer","Polymorphism and versatile solvate formation of thiophanate-methyl","CrystEngComm","2009","11","11","2536","","10.1039/b905511h","","","1.54178","CuKα","","0.0716","0.0557","","","0.1358","0.1479","","","","","","1.027","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201164","10.5457","0.0019","14.47","0.003","14.592","0.002","65.317","0.008","77.658","0.01","76.287","0.01","1948.9","0.6","103","2","103","2","","","","","","","","5","P -1","-P 1","2","thiophanate-methyl, tetrahydrofuran","","","- C16 H22 N4 O5 S2 -","- C16 H22 N4 O5 S2 -","- C64 H88 N16 O20 S8 -","4","2","","Nauha, Elisa; Saxell, Heidi; Nissinen, Maija; Kolehmainen, Erkki; Schäfer, Ansgar; Schlecker, Rainer","Polymorphism and versatile solvate formation of thiophanate-methyl","CrystEngComm","2009","11","11","2536","","10.1039/b905511h","","","1.54178","CuKα","","0.0606","0.0526","","","0.1494","0.1534","","","","","","1.123","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201165","21.97","0.01","11.428","0.005","17.147","0.007","90","","111.244","0.018","90","","4013","3","103","2","103","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","thiophanate-methyl, dioxane","","","- C16 H22 N4 O6 S2 -","- C16 H22 N4 O6 S2 -","- C128 H176 N32 O48 S16 -","8","1","","Nauha, Elisa; Saxell, Heidi; Nissinen, Maija; Kolehmainen, Erkki; Schäfer, Ansgar; Schlecker, Rainer","Polymorphism and versatile solvate formation of thiophanate-methyl","CrystEngComm","2009","11","11","2536","","10.1039/b905511h","","","1.54178","CuKα","","0.0741","0.0679","","","0.1866","0.1954","","","","","","1.079","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201166","8.2439","0.001","10.6899","0.0012","12.4925","0.0015","67.892","0.005","81.442","0.006","74.153","0.005","979.9","0.2","103","2","103","2","","","","","","","","5","P -1","-P 1","2","thiophanate-methyl, pyridine","","","- C17 H19 N5 O4 S2 -","- C17 H19 N5 O4 S2 -","- C34 H38 N10 O8 S4 -","2","1","","Nauha, Elisa; Saxell, Heidi; Nissinen, Maija; Kolehmainen, Erkki; Schäfer, Ansgar; Schlecker, Rainer","Polymorphism and versatile solvate formation of thiophanate-methyl","CrystEngComm","2009","11","11","2536","","10.1039/b905511h","","","1.54178","CuKα","","0.0447","0.0434","","","0.1082","0.109","","","","","","1.167","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201167","7.9951","0.0007","9.5484","0.0009","14.7017","0.0011","81.91","0.004","84.862","0.004","73.646","0.004","1064.73","0.16","103","2","103","2","","","","","","","","6","P -1","-P 1","2","thiophanate-methyl, 1,2-dichlorobenzene","","","- C18 H18 Cl2 N4 O4 S2 -","- C18 H18 Cl2 N4 O4 S2 -","- C36 H36 Cl4 N8 O8 S4 -","2","1","","Nauha, Elisa; Saxell, Heidi; Nissinen, Maija; Kolehmainen, Erkki; Schäfer, Ansgar; Schlecker, Rainer","Polymorphism and versatile solvate formation of thiophanate-methyl","CrystEngComm","2009","11","11","2536","","10.1039/b905511h","","","1.54178","CuKα","","0.0472","0.0459","","","0.1127","0.1138","","","","","","1.201","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201168","8.4106","0.0008","9.9524","0.0009","12.9517","0.0012","107.946","0.004","101.732","0.005","96.683","0.004","991.01","0.16","103","2","103","2","","","","","","","","5","P -1","-P 1","2","thiophanate-methyl, benzene","","","- C18 H20 N4 O4 S2 -","- C18 H20 N4 O4 S2 -","- C36 H40 N8 O8 S4 -","2","1","","Nauha, Elisa; Saxell, Heidi; Nissinen, Maija; Kolehmainen, Erkki; Schäfer, Ansgar; Schlecker, Rainer","Polymorphism and versatile solvate formation of thiophanate-methyl","CrystEngComm","2009","11","11","2536","","10.1039/b905511h","","","1.54178","CuKα","","0.0413","0.0373","","","0.0889","0.0908","","","","","","1.106","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201169","12.2064","0.0019","14.77","0.002","17.428","0.003","97.289","0.004","103.462","0.003","107.88","0.003","2840.6","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H49 Br4 Cl3 N12 -","- C51 H49 Br4 Cl3 N12 -","- C102 H98 Br8 Cl6 N24 -","2","1","","Yin, Zhenming; Wang, Wuyan; Du, Miao; Wang, Xiuguang; Guo, Jianhua","Crystal engineering of 5,5′-bisdiazo-dipyrromethane with halogen⋯π synthons","CrystEngComm","2009","11","11","2441","","10.1039/b905568a","","","0.71073","MoKα","","0.1717","0.065","","","0.1565","0.2029","","","","","","1.004","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201170","12.1","0.005","14.317","0.005","17.195","0.006","96.321","0.004","103.106","0.004","108.281","0.006","2701.4","1.7","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C51 H49 Cl7 N12 -","- C51 H49 Cl7 N12 -","- C102 H98 Cl14 N24 -","2","1","","Yin, Zhenming; Wang, Wuyan; Du, Miao; Wang, Xiuguang; Guo, Jianhua","Crystal engineering of 5,5′-bisdiazo-dipyrromethane with halogen⋯π synthons","CrystEngComm","2009","11","11","2441","","10.1039/b905568a","","","0.7107","MoKα","","0.1063","0.0876","","","0.2593","0.2788","","","","","","1.056","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201171","18.212","0.004","20.863","0.004","29.126","0.006","90","","90","","90","","11067","4","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C54 H56 I4 N12 O2 -","- C54 H56 I4 N12 O2 -","- C432 H448 I32 N96 O16 -","8","1","","Yin, Zhenming; Wang, Wuyan; Du, Miao; Wang, Xiuguang; Guo, Jianhua","Crystal engineering of 5,5′-bisdiazo-dipyrromethane with halogen⋯π synthons","CrystEngComm","2009","11","11","2441","","10.1039/b905568a","","","0.71073","MoKα","","0.0894","0.0615","","","0.1354","0.1516","","","","","","1.08","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201173","8.275","0.002","8.9203","0.0011","10.5938","0.0013","83.58","0.01","71.981","0.017","72.249","0.015","708.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H14 Gd N3 O10 -","- C9 H14 Gd N3 O10 -","- C18 H28 Gd2 N6 O20 -","2","1","","Han, Zheng-Bo; Zhang, Guo-Xin; Zeng, Ming-Hua; Ge, Chun-Hua; Zou, Xiao-Hong; Han, Guang-Xi","Synthesis, crystal structure and magnetic properties of two 3-D gadolinium complexes","CrystEngComm","2009","11","12","2629","","10.1039/b905663g","","","0.71073","MoKα","","0.0314","0.0246","","","0.0625","0.0831","","","","","","1.023","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201174","7.9626","0.0018","12.1331","0.0019","13.3182","0.0012","111.951","0.011","104.938","0.013","91.576","0.016","1142","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H25 Gd N4 O13 -","- C15 H19 Gd N4 O13 -","- C30 H38 Gd2 N8 O26 -","2","1","","Han, Zheng-Bo; Zhang, Guo-Xin; Zeng, Ming-Hua; Ge, Chun-Hua; Zou, Xiao-Hong; Han, Guang-Xi","Synthesis, crystal structure and magnetic properties of two 3-D gadolinium complexes","CrystEngComm","2009","11","12","2629","","10.1039/b905663g","","","0.71073","MoKα","","0.0417","0.0384","","","0.1021","0.104","","","","","","1.113","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201175","11.4821","0.0011","6.3061","0.0006","14.7581","0.0014","90","","107.368","0.002","90","","1019.87","0.17","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H6 Cu N4 O3 -","- C9 H6 Cu N4 O3 -","- C36 H24 Cu4 N16 O12 -","4","1","","Kostakis, George E.; Chandra Mondal, Kartik; Abbas, Ghulam; Lan, Yanhua; Novitchi, Ghenadie; Buth, Gernot; Anson, Christopher E.; Powell, Annie K.","[Cu(N3)(p-CPA)]n: a two dimensional network exhibiting spin reorientation","CrystEngComm","2009","11","10","2084","","10.1039/b905707b","","","0.8","synchrotron","","0.0263","0.0244","","","0.0681","0.0689","","","","","","1.012","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201181","7.2243","0.0008","12.131","0.0012","22.654","0.003","90","","96.066","0.006","90","","1974.2","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 Cu2 N2 O10 -","- C20 H12 Cu2 N2 O10 -","- C80 H48 Cu8 N8 O40 -","4","1","","Zhang, Lei; Li, Zhao-Ji; Lin, Qi-Pu; Zhang, Jian; Yin, Pei-Xiu; Qin, Ye-Yan; Cheng, Jian-Kai; Yao, Yuan-Gen","Novel (3,6)-connected network and (4,6)-connected framework in two copper(II) and cadmium(II) complexes of flexible (2S,3S,4R,5R)-tetrahydrofurantetracarboxylic acid: synthesis, structure, thermostability, and luminescence studies","CrystEngComm","2009","11","9","1934","","10.1039/b905794c","","","0.71073","MoKα","","0.068","0.0549","","","0.1385","0.149","","","","","","1.016","","","","has coordinates,has disorder","180342","2020-10-21","18:00:00",""
"7201182","6.481","0.0006","26.9381","0.0016","8.3967","0.0006","90","","120.004","0.005","90","","1269.49","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 Cd2 O12 -","- C8 H10 Cd2 O12 -","- C32 H40 Cd8 O48 -","4","1","","Zhang, Lei; Li, Zhao-Ji; Lin, Qi-Pu; Zhang, Jian; Yin, Pei-Xiu; Qin, Ye-Yan; Cheng, Jian-Kai; Yao, Yuan-Gen","Novel (3,6)-connected network and (4,6)-connected framework in two copper(II) and cadmium(II) complexes of flexible (2S,3S,4R,5R)-tetrahydrofurantetracarboxylic acid: synthesis, structure, thermostability, and luminescence studies","CrystEngComm","2009","11","9","1934","","10.1039/b905794c","","","0.71073","MoKα","","0.0269","0.0248","","","0.064","0.0652","","","","","","1.031","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201185","78.612","0.003","10.6365","0.0005","9.6012","0.0004","90","","90","","90","","8028.1","0.6","293","2","293","2","","","","","","","synthesis as described","6","C m c 21","C 2c -2","36","","","","- C20 H26 Cl5 Mn2 O5 S16 -","- C20 H21 Cl5 Mn2 O5 S16 -","- C160 H168 Cl40 Mn16 O40 S128 -","8","1","","Zorina, Leokadiya V.; Prokhorova, Tat'yana G.; Khasanov, Salavat S.; Simonov, Sergey V.; Zverev, Vladimir N.; Korobenko, Alexey V.; Putrya, Anna V.; Mironov, Vladimir S.; Canadell, Enric; Shibaeva, Rimma P.; Yagubskii, Eduard B.","A new hybrid molecular metal assembling a BEDT-TTF conducting network and the magnetic chain anion [Mn2Cl5(H2O)5]−∞: α-(BEDT-TTF)2[Mn2Cl5(H2O)5]","CrystEngComm","2009","11","10","2102","","10.1039/b905840k","","","0.71073","MoKα","","0.0703","0.0504","","","0.1336","0.1428","","","","","","1.052","","","","has coordinates,has disorder","180342","2020-10-21","18:00:00",""
"7201186","7.435","0.002","6.1034","0.0019","17.069","0.006","90","","90.094","0.007","90","","774.6","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 N2 O3 -","- C9 H6 N2 O3 -","- C36 H24 N8 O12 -","4","1","","Nizhnik, Yakov P.; Lu, Jianjiang; Rosokha, Sergiy V.; Kochi, Jay K.","Trimorphism of a model carcinogen 4-nitroquinoline-N-oxide","CrystEngComm","2009","11","11","2400","","10.1039/b905845a","","","0.71073","MoKα","","0.1045","0.0861","","","0.1895","0.1963","","","","","","1.162","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201187","5.0709","0.001","6.1246","0.0012","25.5","0.005","90","","90","","90","","792","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H6 N2 O3 -","- C9 H6 N2 O3 -","- C36 H24 N8 O12 -","4","1","","Nizhnik, Yakov P.; Lu, Jianjiang; Rosokha, Sergiy V.; Kochi, Jay K.","Trimorphism of a model carcinogen 4-nitroquinoline-N-oxide","CrystEngComm","2009","11","11","2400","","10.1039/b905845a","","","0.71073","MoKα","","0.0865","0.0586","","","0.0995","0.11","","","","","","1.051","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201188","6.3272","0.0002","6.8535","0.0002","6.9057","0.0002","112.863","0.002","102.779","0.002","103.167","0.002","252.162","0.015","123","1","123","1","","","","","","","","5","P -1","-P 1","2","[Cu(CAN)2(pyz)]","catena[bis(nitrocyanamide)(pyrazine)Copper(II)]","","- C6 H4 Cu N8 O4 -","- C6 H4 Cu N8 O4 -","- C6 H4 Cu N8 O4 -","1","0.5","","Kutasi, Anna M.; Turner, David R.; Jensen, Paul; Moubaraki, Boujemaa; Batten, Stuart R.; Murray, Keith S.","Coordination polymers of nitrocyanamide, O2NNCN−: synthesis, structure and magnetism","CrystEngComm","2009","11","10","2089","","10.1039/b905970a","","","0.71073","MoKα","","0.0379","0.0335","","","0.0863","0.0886","","","","","","1.136","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201189","6.7301","0.0001","7.091","0.0001","8.6218","0.0002","109.184","0.001","90.647","0.001","107.858","0.001","367.002","0.012","123","1","123","1","","","","","","","","5","P -1","-P 1","2","{[Cu(CAN)2(pyz)(H2O)2].2H2O}","catena[bis(aqua)bis(nitrocyanamide)(pyrazine)copper(II)] dihydrate","","- C6 H12 Co N8 O8 -","- C6 H12 Co N8 O8 -","- C6 H12 Co N8 O8 -","1","0.5","","Kutasi, Anna M.; Turner, David R.; Jensen, Paul; Moubaraki, Boujemaa; Batten, Stuart R.; Murray, Keith S.","Coordination polymers of nitrocyanamide, O2NNCN−: synthesis, structure and magnetism","CrystEngComm","2009","11","10","2089","","10.1039/b905970a","","","0.71073","MoKα","","0.0313","0.025","","","0.0548","0.0565","","","","","","1.075","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201190","6.7652","0.0001","7.1822","0.0001","8.6218","0.0002","109.404","0.001","90.408","0.001","108.002","0.001","372.961","0.012","123","1","123","1","","","","","","","","5","P -1","-P 1","2","{[Fe(CAN)2(pyz)(H2O)2].2H2O}","catena[bis(aqua)bis(nitrocyanamide)(pyrazine)iron(II)] dihydrate","","- C6 H12 Fe N8 O8 -","- C6 H12 Fe N8 O8 -","- C6 H12 Fe N8 O8 -","1","0.5","","Kutasi, Anna M.; Turner, David R.; Jensen, Paul; Moubaraki, Boujemaa; Batten, Stuart R.; Murray, Keith S.","Coordination polymers of nitrocyanamide, O2NNCN−: synthesis, structure and magnetism","CrystEngComm","2009","11","10","2089","","10.1039/b905970a","","","0.71073","MoKα","","0.0299","0.0244","","","0.0561","0.0579","","","","","","1.057","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201191","7.2816","0.0002","11.3892","0.0002","15.2587","0.0005","90","","102.407","0.001","90","","1235.88","0.06","123","1","123","1","","","","","","","","5","P 1 2/c 1","-P 2yc","13","[Co(CAN)2(4,4'-bipy)(H2O)2].4,4'-bipy","[Co(CAN)2(4,4'-bipy)(H2O)2].4,4'-bipy","","- C22 H20 Co N10 O6 -","- C22 H20 Co N10 O6 -","- C44 H40 Co2 N20 O12 -","2","0.5","","Kutasi, Anna M.; Turner, David R.; Jensen, Paul; Moubaraki, Boujemaa; Batten, Stuart R.; Murray, Keith S.","Coordination polymers of nitrocyanamide, O2NNCN−: synthesis, structure and magnetism","CrystEngComm","2009","11","10","2089","","10.1039/b905970a","","","0.71073","MoKα","","0.1","0.0594","","","0.0801","0.0899","","","","","","1.062","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201192","7.2742","0.0001","11.485","0.0002","15.2616","0.0003","90","","102.364","0.001","90","","1245.45","0.04","123","1","123","1","","","","","","","","5","P 1 2/c 1","-P 2yc","13","{[Fe(CAN)2(4,4'-bipy)(H2O)2].4,4'-bipy}","{[Fe(CAN)2(4,4'-bipy)(H2O)2].4,4'-bipy}","","- C22 H20 Fe N10 O6 -","- C22 H20 Fe N10 O6 -","- C44 H40 Fe2 N20 O12 -","2","0.5","","Kutasi, Anna M.; Turner, David R.; Jensen, Paul; Moubaraki, Boujemaa; Batten, Stuart R.; Murray, Keith S.","Coordination polymers of nitrocyanamide, O2NNCN−: synthesis, structure and magnetism","CrystEngComm","2009","11","10","2089","","10.1039/b905970a","","","0.71073","MoKα","","0.0519","0.0391","","","0.0698","0.0733","","","","","","1.068","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201193","7.3102","0.0001","11.59","0.0002","15.2784","0.0003","90","","101.865","0.001","90","","1266.81","0.04","123","1","123","1","","","","","","","","5","P 1 2/c 1","-P 2yc","13","{[Mn(CAN)2(4,4'-bipy)(H2O)2].4,4'-bipy}","{[Mn(CAN)2(4,4'-bipy)(H2O)2].4,4'-bipy}","","- C22 H20 Mn N10 O6 -","- C22 H20 Mn N10 O6 -","- C44 H40 Mn2 N20 O12 -","2","0.5","","Kutasi, Anna M.; Turner, David R.; Jensen, Paul; Moubaraki, Boujemaa; Batten, Stuart R.; Murray, Keith S.","Coordination polymers of nitrocyanamide, O2NNCN−: synthesis, structure and magnetism","CrystEngComm","2009","11","10","2089","","10.1039/b905970a","","","0.71073","MoKα","","0.0648","0.0378","","","0.0893","0.1013","","","","","","1.071","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201200","18.041","0.002","11.085","0.001","14.137","0.002","90","","105.013","0.002","90","","2730.7","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 I N2 -","- C13 H17 I N2 -","- C104 H136 I8 N16 -","8","2","","Dean, Pamela M.; Golding, Jacob J.; Pringle, Jennifer M.; Forsyth, Maria; Skelton, Brian W.; White, Allan H.; MacFarlane, Douglas R.","The effect of alkyl chain length in a series of novel N-alkyl-3-benzylimidazolium iodide salts","CrystEngComm","2009","11","11","2456","","10.1039/b906142h","","","0.71073","MoKα","","0.0515","0.0329","","","0.0837","0.0967","","","","","","1.115","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7201201","8.232","0.002","9.316","0.002","10.209","0.003","86.158","0.005","84.638","0.005","64.69","0.004","704.4","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H19 I N2 -","- C14 H19 I N2 -","- C28 H38 I2 N4 -","2","1","","Dean, Pamela M.; Golding, Jacob J.; Pringle, Jennifer M.; Forsyth, Maria; Skelton, Brian W.; White, Allan H.; MacFarlane, Douglas R.","The effect of alkyl chain length in a series of novel N-alkyl-3-benzylimidazolium iodide salts","CrystEngComm","2009","11","11","2456","","10.1039/b906142h","","","0.71073","MoKα","","0.0256","0.0244","","","0.0631","0.0638","","","","","","1.107","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201202","12.5337","0.0001","11.6484","0.0001","17.1447","0.0002","90","","90","","90","","2503.08","0.04","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H15 I N2 -","- C12 H15 I N2 -","- C96 H120 I8 N16 -","8","1","","Dean, Pamela M.; Golding, Jacob J.; Pringle, Jennifer M.; Forsyth, Maria; Skelton, Brian W.; White, Allan H.; MacFarlane, Douglas R.","The effect of alkyl chain length in a series of novel N-alkyl-3-benzylimidazolium iodide salts","CrystEngComm","2009","11","11","2456","","10.1039/b906142h","","","0.71073","MoKα","","0.0285","0.0192","","","0.0474","0.0489","","","","","","1.078","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201203","9.4229","0.0001","11.8744","0.0001","13.8521","0.0001","90","","90","","90","","1549.93","0.02","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 I N2 -","- C15 H21 I N2 -","- C60 H84 I4 N8 -","4","1","","Dean, Pamela M.; Golding, Jacob J.; Pringle, Jennifer M.; Forsyth, Maria; Skelton, Brian W.; White, Allan H.; MacFarlane, Douglas R.","The effect of alkyl chain length in a series of novel N-alkyl-3-benzylimidazolium iodide salts","CrystEngComm","2009","11","11","2456","","10.1039/b906142h","","","0.71073","MoKα","","0.0327","0.0233","","","0.0417","0.0435","","","","","","0.952","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201204","20.7565","0.0003","14.049","0.0002","23.2945","0.0004","90","","90","","90","","6792.86","0.18","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H23 I N2 -","- C16 H23 I N2 -","- C256 H368 I16 N32 -","16","2","","Dean, Pamela M.; Golding, Jacob J.; Pringle, Jennifer M.; Forsyth, Maria; Skelton, Brian W.; White, Allan H.; MacFarlane, Douglas R.","The effect of alkyl chain length in a series of novel N-alkyl-3-benzylimidazolium iodide salts","CrystEngComm","2009","11","11","2456","","10.1039/b906142h","","","0.71073","MoKα","","0.1011","0.0572","","","0.1349","0.1501","","","","","","1.047","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7201205","12.2127","0.0002","11.3954","0.0002","11.6217","0.0002","90","","106.097","0.002","90","","1553.96","0.05","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H21 I N2 -","- C15 H21 I N2 -","- C60 H84 I4 N8 -","4","1","","Dean, Pamela M.; Golding, Jacob J.; Pringle, Jennifer M.; Forsyth, Maria; Skelton, Brian W.; White, Allan H.; MacFarlane, Douglas R.","The effect of alkyl chain length in a series of novel N-alkyl-3-benzylimidazolium iodide salts","CrystEngComm","2009","11","11","2456","","10.1039/b906142h","","","0.71073","MoKα","","0.0317","0.021","","","0.0477","0.0501","","","","","","1.062","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201206","14.4409","0.0015","18.0725","0.0019","23.928","0.002","90","","99.705","0.002","90","","6155.4","1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H64 Cu2 Dy2 N14 O32 -","- C46 H64 Cu2 Dy2 N14 O32 -","- C184 H256 Cu8 Dy8 N56 O128 -","4","0.5","","Kajiwara, Takashi; Takahashi, Kohei; Hiraizumi, Tomonari; Takaishi, Shinya; Yamashita, Masahiro","Structural correlations between the crystal field and magnetic anisotropy of Ln‒Cu single-molecule magnets","CrystEngComm","2009","11","10","2110","","10.1039/b906182g","","","0.71073","MoKα","","0.0341","0.0263","","","0.0577","0.0592","","","","","","0.945","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201207","14.4662","0.0014","18.0741","0.0018","23.962","0.002","90","","99.811","0.002","90","","6173.6","1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H64 Cu2 Gd2 N14 O32 -","- C46 H64 Cu2 Gd2 N14 O32 -","- C184 H256 Cu8 Gd8 N56 O128 -","4","0.5","","Kajiwara, Takashi; Takahashi, Kohei; Hiraizumi, Tomonari; Takaishi, Shinya; Yamashita, Masahiro","Structural correlations between the crystal field and magnetic anisotropy of Ln‒Cu single-molecule magnets","CrystEngComm","2009","11","10","2110","","10.1039/b906182g","","","0.71073","MoKα","","0.0295","0.026","","","0.0709","0.072","","","","","","1.046","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201208","14.459","0.003","18.079","0.004","23.943","0.005","90","","99.718","0.004","90","","6169","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H64 Cu2 N14 O32 Tb2 -","- C46 H64 Cu2 N14 O32 Tb2 -","- C184 H256 Cu8 N56 O128 Tb8 -","4","0.5","","Kajiwara, Takashi; Takahashi, Kohei; Hiraizumi, Tomonari; Takaishi, Shinya; Yamashita, Masahiro","Structural correlations between the crystal field and magnetic anisotropy of Ln‒Cu single-molecule magnets","CrystEngComm","2009","11","10","2110","","10.1039/b906182g","","","0.71073","MoKα","","0.0555","0.0366","","","0.0692","0.0724","","","","","","0.831","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201209","17.749","0.0019","13.8366","0.0015","25.634","0.003","90","","106.396","0.005","90","","6039.3","1.2","190","2","190","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C33.5 H29.69 N1.5 O10.1 -","- C33.5 H28.5 N1.5 O10.095 -","- C268 H228 N12 O80.76 -","8","1","","Pigge, F. Christopher; Dighe, Mayuri K.; Swenson, Dale C.","A 1D crystalline organic polyrotaxane formed via hydrogen bond-mediated self-assembly of a conformationally flexible tri-carboxylic acid","CrystEngComm","2009","11","7","1227","","10.1039/b906196g","","","0.71073","MoKα","","0.1702","0.0756","","","0.1652","0.2067","","","","","","1.03","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7201210","7.4264","0.0008","11.362","0.0012","15.2805","0.0016","103.301","0.005","94.507","0.005","108.265","0.005","1175.6","0.2","190","2","190","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H18 O9 -","- C30 H18 O9 -","- C60 H36 O18 -","2","1","","Pigge, F. Christopher; Dighe, Mayuri K.; Swenson, Dale C.","A 1D crystalline organic polyrotaxane formed via hydrogen bond-mediated self-assembly of a conformationally flexible tri-carboxylic acid","CrystEngComm","2009","11","7","1227","","10.1039/b906196g","","","0.71073","MoKα","","0.0672","0.0464","","","0.1182","0.1331","","","","","","1.066","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201211","15.9893","0.0004","32.8544","0.0005","5.6968","0.0001","90","","90","","90","","2992.64","0.1","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","4-phenyl-1,2,3,5-dithiadiazolyl","","","- C7 H5 N2 S2 -","- C7 H5 N2 S2 -","- C112 H80 N32 S32 -","16","4","","Allen, Charlotte; Haynes, Delia A.; Pask, Christopher M.; Rawson, Jeremy M.","Co-crystallisation of thiazyl radicals: preparation and crystal structure of [PhCNSSN][C6F5CNSSN]","CrystEngComm","2009","11","10","2048","","10.1039/b906225d","","","0.71069","MoKα","","0.0671","0.049","","","0.0929","0.0993","","","","","","1.024","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201212","18.0888","0.0002","10.6435","0.0002","10.853","0.0001","90","","123.133","0.001","90","","1749.76","0.05","180","2","180","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","4-perfluorophenyl-1,2,3,5-dithiadiazolyl","","","- C7 F5 N2 S2 -","- C7 F5 N2 S2 -","- C56 F40 N16 S16 -","8","1","","Allen, Charlotte; Haynes, Delia A.; Pask, Christopher M.; Rawson, Jeremy M.","Co-crystallisation of thiazyl radicals: preparation and crystal structure of [PhCNSSN][C6F5CNSSN]","CrystEngComm","2009","11","10","2048","","10.1039/b906225d","","","0.7107","MoKα","","0.0364","0.031","","","0.0787","0.0819","","","","","","1.105","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201213","11.3529","0.0002","11.7748","0.0002","12.2261","0.0002","90","","95.028","0.001","90","","1628.07","0.05","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(4-phenyl-1,2,3,5-dithiadiazolyl) (4-perfluorophenyl-1,2,3,5-dithiadiazolyl) co-crystal","","","- C14 H5 F5 N4 S4 -","- C14 H5 F5 N4 S4 -","- C56 H20 F20 N16 S16 -","4","1","","Allen, Charlotte; Haynes, Delia A.; Pask, Christopher M.; Rawson, Jeremy M.","Co-crystallisation of thiazyl radicals: preparation and crystal structure of [PhCNSSN][C6F5CNSSN]","CrystEngComm","2009","11","10","2048","","10.1039/b906225d","","","0.7107","MoKα","","0.0663","0.0384","","","0.0874","0.1002","","","","","","1.031","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201229","9.008","0.004","10.139","0.005","16.671","0.008","92.822","0.015","104.167","0.015","109.238","0.014","1379.8","1.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H52 Cu I4 N10 O4 S2 -","- C50 H52 Cu I4 N10 O4 S2 -","- C50 H52 Cu I4 N10 O4 S2 -","1","0.5","","Rajput, Lalit; Biradha, Kumar","Robust hydrogen bonding synthon in one-dimensional and two-dimensional coordination polymers of pyridine-appended reverse amides and amides","CrystEngComm","2009","11","7","1220","","10.1039/b906285h","","","0.71073","MoKα","","0.0999","0.0531","","","0.1245","0.1402","","","","","","1.035","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201230","9.1064","0.0012","10.0279","0.0012","16.012","0.002","94.197","0.004","102.983","0.004","108.093","0.004","1338.1","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H52 Br4 Cu N10 O4 S2 -","- C50 H52 Br4 Cu N10 O4 S2 -","- C50 H52 Br4 Cu N10 O4 S2 -","1","0.5","","Rajput, Lalit; Biradha, Kumar","Robust hydrogen bonding synthon in one-dimensional and two-dimensional coordination polymers of pyridine-appended reverse amides and amides","CrystEngComm","2009","11","7","1220","","10.1039/b906285h","","","0.71073","MoKα","","0.1991","0.0654","","","0.1358","0.1607","","","","","","0.874","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201231","10.1435","0.0004","14.9724","0.0007","20.3506","0.0009","90","","101.111","0.001","90","","3032.8","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C70 H64 Cu N10 O4 S2 -","- C70 H64 Cu N10 O4 S2 -","- C140 H128 Cu2 N20 O8 S4 -","2","0.5","","Rajput, Lalit; Biradha, Kumar","Robust hydrogen bonding synthon in one-dimensional and two-dimensional coordination polymers of pyridine-appended reverse amides and amides","CrystEngComm","2009","11","7","1220","","10.1039/b906285h","","","0.71073","MoKα","","0.068","0.0448","","","0.1338","0.1536","","","","","","1.044","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201232","9.9865","0.0014","14.84","0.002","20.416","0.003","90","","100.363","0.004","90","","2976.3","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H64 Cu N10 O4 S2 -","- C66 H63.992 Cu N10 O4 S2 -","- C132 H127.984 Cu2 N20 O8 S4 -","2","0.5","","Rajput, Lalit; Biradha, Kumar","Robust hydrogen bonding synthon in one-dimensional and two-dimensional coordination polymers of pyridine-appended reverse amides and amides","CrystEngComm","2009","11","7","1220","","10.1039/b906285h","","","0.71073","MoKα","","0.0622","0.0427","","","0.1215","0.1342","","","","","","0.812","","","","has coordinates,has disorder","180343","2020-10-21","18:00:00",""
"7201233","9.21","0.006","10.155","0.007","15.921","0.011","93.77","0.02","104.08","0.02","109.2","0.02","1346.6","1.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H52 Br4 Cu N10 O4 S2 -","- C50 H52 Br4 Cu N10 O4 S2 -","- C50 H52 Br4 Cu N10 O4 S2 -","1","0.5","","Rajput, Lalit; Biradha, Kumar","Robust hydrogen bonding synthon in one-dimensional and two-dimensional coordination polymers of pyridine-appended reverse amides and amides","CrystEngComm","2009","11","7","1220","","10.1039/b906285h","","","0.71073","MoKα","","0.1148","0.0515","","","0.1333","0.1566","","","","","","0.878","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201234","10.1605","0.001","15.0606","0.0015","20.01","0.002","90","","100.338","0.003","90","","3012.3","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H60 Cu N10 O4 S2 -","- C66 H60 Cu N10 O4 S2 -","- C132 H120 Cu2 N20 O8 S4 -","2","0.5","","Rajput, Lalit; Biradha, Kumar","Robust hydrogen bonding synthon in one-dimensional and two-dimensional coordination polymers of pyridine-appended reverse amides and amides","CrystEngComm","2009","11","7","1220","","10.1039/b906285h","","","0.71073","MoKα","","0.1498","0.0618","","","0.1507","0.173","","","","","","0.965","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201235","8.1942","0.0007","10.001","0.0009","14.822","0.0013","75.664","0.003","85.553","0.003","85.294","0.003","1170.81","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H38 Cu N12 O4 S2 -","- C52 H38 Cu N12 O4 S2 -","- C52 H38 Cu N12 O4 S2 -","1","0.5","","Rajput, Lalit; Biradha, Kumar","Robust hydrogen bonding synthon in one-dimensional and two-dimensional coordination polymers of pyridine-appended reverse amides and amides","CrystEngComm","2009","11","7","1220","","10.1039/b906285h","","","0.71073","MoKα","","0.0833","0.0441","","","0.1016","0.1127","","","","","","0.991","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201241","12.6363","0.0007","13.801","0.0007","15.691","0.0008","70.683","0.003","82.958","0.003","89.263","0.003","2561.8","0.2","123","2","123","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C66 H122 Cl6 N24 Ni6 O40 -","- C66 H122 Cl6 N24 Ni6 O40 -","- C66 H122 Cl6 N24 Ni6 O40 -","1","0.5","","Colacio, Enrique; Aouryaghal, Hakima; Mota, Antonio J.; Cano, Joan; Sillanpää, Reijo; Rodríguez-Diéguez, A.","Anion encapsulation promoted by anion⋯π interactions in rationally designed hexanuclear antiferromagnetic wheels: synthesis, structure and magnetic properties","CrystEngComm","2009","11","10","2054","","10.1039/b906382j","","x-ray","0.71073","MoKα","","0.1131","0.0665","","","0.1553","0.1766","","","","","","1.055","","","","has coordinates,has disorder","180343","2020-10-21","18:00:00",""
"7201242","23.206","0.005","20.746","0.005","16.193","0.005","90","0.005","130.773","0.005","90","0.005","5904","3","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C66 H114 B F6 N24 Ni6 O12 -","- C66 H114 B F6 N24 Ni6 O12 -","- C132 H228 B2 F12 N48 Ni12 O24 -","2","0.25","","Colacio, Enrique; Aouryaghal, Hakima; Mota, Antonio J.; Cano, Joan; Sillanpää, Reijo; Rodríguez-Diéguez, A.","Anion encapsulation promoted by anion⋯π interactions in rationally designed hexanuclear antiferromagnetic wheels: synthesis, structure and magnetic properties","CrystEngComm","2009","11","10","2054","","10.1039/b906382j","","","0.71069","MoKα","","0.0893","0.0609","","","0.1664","0.181","","","","","","1.048","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7201243","43.2705","0.0009","7.9511","0.0001","20.8778","0.0004","90","","114.64","0.001","90","","6528.9","0.2","173","2","173","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C39 H84 Cl5 Cu4 N14 O27.5 -","- C39 H73 Cl5 Cu4 N14 O27.5 -","- C156 H292 Cl20 Cu16 N56 O110 -","4","0.5","","Colacio, Enrique; Aouryaghal, Hakima; Mota, Antonio J.; Cano, Joan; Sillanpää, Reijo; Rodríguez-Diéguez, A.","Anion encapsulation promoted by anion⋯π interactions in rationally designed hexanuclear antiferromagnetic wheels: synthesis, structure and magnetic properties","CrystEngComm","2009","11","10","2054","","10.1039/b906382j","","x-ray","0.71073","MoKα","","0.0639","0.047","","","0.1133","0.1218","","","","","","1.042","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7201244","18.109","0.005","27.02","0.005","22.118","0.005","90","0.005","99.74","0.005","90","0.005","10666","4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C66 H114 Cl Co6 N24 O18 -","- C66 H114 Cl Co6 N24 O18 -","- C264 H456 Cl4 Co24 N96 O72 -","4","0.5","","Colacio, Enrique; Aouryaghal, Hakima; Mota, Antonio J.; Cano, Joan; Sillanpää, Reijo; Rodríguez-Diéguez, A.","Anion encapsulation promoted by anion⋯π interactions in rationally designed hexanuclear antiferromagnetic wheels: synthesis, structure and magnetic properties","CrystEngComm","2009","11","10","2054","","10.1039/b906382j","","","0.71069","MoKα","","0.0817","0.0672","","","0.1753","0.1846","","","","","","0.963","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201245","12.66206","0.000032","12.66206","0.000032","12.66206","0.000032","90","","90","","90","","2030.08","0.009","","","298","","","","","","","","","5","I m -3 m","-I 4 2 3","229","","","","- C18 Co N6 O24 Ru6 -","- C18 Co N6 O24 Ru6 -","- C36 Co2 N12 O48 Ru12 -","2","0.0208333","","Kennon, Bretni S.; Stone, Kevin H.; Stephens, Peter W.; Miller, Joel S.","Interpenetrating diruthenium tetraformate monocation, [RuII/III2(O2CH)4]+, based 3-D molecule-based magnets","CrystEngComm","2009","11","10","2185","","10.1039/b906437k","powder diffraction","","0.697396","synchrotron","","","","","","","","","","2.491","","","","","","","has coordinates","278046","2022-09-21","15:45:42",""
"7201246","12.70707","0.00075","12.70707","0.00075","12.70707","0.00075","90","","90","","90","","2051.8","0.2","","","298","","","","","","","","","5","I m -3 m","-I 4 2 3","229","","","","- C18 Fe N6 O24 Ru6 -","- C18 Fe N6 O24 Ru6 -","- C36 Fe2 N12 O48 Ru12 -","2","0.0208333","","Kennon, Bretni S.; Stone, Kevin H.; Stephens, Peter W.; Miller, Joel S.","Interpenetrating diruthenium tetraformate monocation, [RuII/III2(O2CH)4]+, based 3-D molecule-based magnets","CrystEngComm","2009","11","10","2185","","10.1039/b906437k","powder diffraction","","0.69864","synchrotron","","","","","","","","","","2.215","","","","","","","has coordinates","278046","2022-09-21","15:45:42",""
"7201247","10.9508","0.0002","12.2489","0.0003","12.6508","0.0003","78.2287","0.001","88.3215","0.0013","86.2671","0.0013","1657.48","0.06","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H48 Cl8 N8 O8 -","- C74 H48 Cl8 N8 O8 -","- C74 H48 Cl8 N8 O8 -","1","0.5","","Koner, Rajesh; Goldberg, Israel","Crystal engineering of molecular networks. Hydrogen bonding driven two-dimensional assemblies of tetrapyridylporphyrin with benzene tri- and tetra-carboxylic acids","CrystEngComm","2009","11","7","1217","","10.1039/b906538p","","","0.71073","MoKα","","0.0927","0.0673","","","0.1792","0.1926","","","","","","1.055","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201248","18.496","0.0002","20.2741","0.0004","18.6398","0.0003","90","","114.095","0.001","90","","6380.71","0.18","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C70 H48 Cl6 N8 O9 Zn -","- C64 H44 Cl4 N8 O9 Zn -","- C256 H176 Cl16 N32 O36 Zn4 -","4","1","","Koner, Rajesh; Goldberg, Israel","Crystal engineering of molecular networks. Hydrogen bonding driven two-dimensional assemblies of tetrapyridylporphyrin with benzene tri- and tetra-carboxylic acids","CrystEngComm","2009","11","7","1217","","10.1039/b906538p","","","0.71073","MoKα","","0.1014","0.0654","","","0.1648","0.1797","","","","","","1.046","","","","has coordinates,has disorder","180343","2020-10-21","18:00:00",""
"7201249","10.3866","0.0003","13.9603","0.0006","14.2042","0.0006","78.039","0.002","73.847","0.002","68.884","0.002","1832.25","0.13","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H60 Cl12 N8 O16 -","- C68 H60 Cl12 N8 O16 -","- C68 H60 Cl12 N8 O16 -","1","0.5","","Koner, Rajesh; Goldberg, Israel","Crystal engineering of molecular networks. Hydrogen bonding driven two-dimensional assemblies of tetrapyridylporphyrin with benzene tri- and tetra-carboxylic acids","CrystEngComm","2009","11","7","1217","","10.1039/b906538p","","","0.71073","MoKα","","0.0966","0.068","","","0.183","0.2019","","","","","","1.038","","","","has coordinates,has disorder","180343","2020-10-21","18:00:00",""
"7201250","18.2699","0.0004","26.9303","0.0008","18.3479","0.0005","90","","90.658","0.002","90","","9026.8","0.4","180","","180","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C58 H100 N20 Ni2 O34 Tb2 W2 -","- C58 H48 N20 Ni2 O34 Tb2 W2 -","- C232 H192 N80 Ni8 O136 Tb8 W8 -","4","1","","Dhers, Sébastien; Sahoo, Shaon; Costes, Jean-Pierre; Duhayon, Carine; Ramasesha, S.; Sutter, Jean-Pascal","1-D hydrogen-bonded organization of hexanuclear {3d-4f-5d} complexes: evidence for slow relaxation of the magnetization for [{LMe2Ni(H2O)Ln(H2O)4.5}2{W(CN)8}2] with Ln = Tb and Dy","CrystEngComm","2009","11","10","2078","","10.1039/b906539c","","","0.71073","MoKα","","0.0903","0.0319","","0.0675","0.037","0.037","","","","","","1.1194","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201251","12.762","0.003","13.148","0.003","13.825","0.002","107.952","0.008","92.416","0.008","109.564","0.008","2051.9","0.8","294","2","294","2","","","","","","","","8","P -1","-P 1","2","","","","- C42 H27 Cl2 Fe N5 Ni O2 S6 -","- C42 H27 Cl2 Fe N5 Ni O2 S6 -","- C84 H54 Cl4 Fe2 N10 Ni2 O4 S12 -","2","1","","Neves, Ana I. S.; Dias, João C.; Vieira, Bruno J. C.; Santos, Isabel C.; Castelo Branco, Moritz B.; Pereira, Laura C. J.; Waerenborgh, João C.; Almeida, Manuel; Belo, Dulce; da Gama, Vasco","A new hybrid material exhibiting room temperature spin-crossover and ferromagnetic cluster-glass behavior","CrystEngComm","2009","11","10","2160","","10.1039/b906620a","","","0.71073","MoKα","","0.1338","0.0662","","","0.1362","0.1577","","","","","","0.909","","","","has coordinates,has disorder","180343","2020-10-21","18:00:00",""
"7201252","12.7394","0.0013","13.1194","0.001","13.7931","0.0014","108.043","0.003","92.324","0.003","109.564","0.003","2038.4","0.3","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C42 H27 Cl2 Fe N5 Ni O2 S6 -","- C42 H27 Cl2 Fe N5 Ni O2 S6 -","- C84 H54 Cl4 Fe2 N10 Ni2 O4 S12 -","2","1","","Neves, Ana I. S.; Dias, João C.; Vieira, Bruno J. C.; Santos, Isabel C.; Castelo Branco, Moritz B.; Pereira, Laura C. J.; Waerenborgh, João C.; Almeida, Manuel; Belo, Dulce; da Gama, Vasco","A new hybrid material exhibiting room temperature spin-crossover and ferromagnetic cluster-glass behavior","CrystEngComm","2009","11","10","2160","","10.1039/b906620a","","","0.71073","MoKα","","0.114","0.0575","","","0.1214","0.1376","","","","","","0.93","","","","has coordinates,has disorder","180343","2020-10-21","18:00:00",""
"7201253","11.7392","0.0006","12.7081","0.0006","9.5192","0.0005","90","","90.153","0.003","90","","1420.1","0.12","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C6 H14 Co2 N16 O -","- C6 H14 Co2 N16 O -","- C24 H56 Co8 N64 O4 -","4","0.5","","Li, Ru-Yin; Wang, Zhe-Ming; Gao, Song","M2(N3)4(hmt)(H2O) (M = Co2+ and Ni2+, hmt = hexamethylenetetramine): mixed azide-hmt bridged 3D metal frameworks with long-range magnetic ordering","CrystEngComm","2009","11","10","2096","","10.1039/b906694m","","","0.71073","MoKα","","0.047","0.029","","","0.0666","0.0704","","","","","","1.006","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201254","11.802","0.003","18.533","0.005","13.233","0.003","90","","100.485","0.004","90","","2846.1","1.2","173.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H14 Cl2 Fe N10 S4 -","- C27 H14 Cl2 Fe N10 S4 -","- C108 H56 Cl8 Fe4 N40 S16 -","4","1","","Shuku, Yoshiaki; Suizu, Rie; Awaga, Kunio; Sato, Osamu","Fe(II) spincrossover complex of [1,2,5]thiadiazolo[3,4-f][1,10]phenanthroline","CrystEngComm","2009","11","10","2065","","10.1039/b906845g","","","0.7107","MoKα","","","0.1194","","","","0.3421","","","","","","1.103","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201255","8.7864","0.0013","35.234","0.005","8.7965","0.0011","90","","90","","90","","2723.2","0.7","400.1","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H12 Fe N10 S4 -","- C26 H12 Fe N10 S4 -","- C104 H48 Fe4 N40 S16 -","4","1","","Shuku, Yoshiaki; Suizu, Rie; Awaga, Kunio; Sato, Osamu","Fe(II) spincrossover complex of [1,2,5]thiadiazolo[3,4-f][1,10]phenanthroline","CrystEngComm","2009","11","10","2065","","10.1039/b906845g","","","0.7107","MoKα","","","0.0717","","","","0.2059","","","","","","1.097","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201256","8.5451","0.0005","34.392","0.002","8.5882","0.0004","90","","90","","90","","2523.9","0.2","173.1","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H12 Fe N10 S4 -","- C26 H12 Fe N10 S4 -","- C104 H48 Fe4 N40 S16 -","4","1","","Shuku, Yoshiaki; Suizu, Rie; Awaga, Kunio; Sato, Osamu","Fe(II) spincrossover complex of [1,2,5]thiadiazolo[3,4-f][1,10]phenanthroline","CrystEngComm","2009","11","10","2065","","10.1039/b906845g","","","0.7107","MoKα","","","0.0471","","","","0.1216","","","","","","1.05","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201257","12.174","0.002","12.264","0.002","12.35","0.002","73.543","0.004","88.616","0.007","83.507","0.006","1756.9","0.5","173.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H18 Fe N14 S5 -","- C38 H18 Fe N14 S5 -","- C76 H36 Fe2 N28 S10 -","2","1","","Shuku, Yoshiaki; Suizu, Rie; Awaga, Kunio; Sato, Osamu","Fe(II) spincrossover complex of [1,2,5]thiadiazolo[3,4-f][1,10]phenanthroline","CrystEngComm","2009","11","10","2065","","10.1039/b906845g","","","0.7107","MoKα","","","0.0559","","","","0.1415","","","","","","1.074","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201258","13.3852","0.0008","13.3852","0.0008","9.9922","0.0012","90","","90","","90","","1790.2","0.3","291","2","291","2","","","","","","","","6","I -4","I -4","82","","","","- C25 H26 Cu4 I4 N4 O5 -","- C25 H26 Cu4 I4 N4 O5 -","- C50 H52 Cu8 I8 N8 O10 -","2","0.25","","Ren, Shi-Bin; Zhou, Le; Zhang, Jun; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng","A photoluminescent interpenetrating diamondoid metal‒organic framework based on Cu4I4 clusters with high thermal stability","CrystEngComm","2009","11","9","1834","","10.1039/b906905d","","","0.71073","MoKα","","0.0491","0.0448","","","0.1016","0.1027","","","","","","1.089","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201261","4.535","0.003","10.913","0.007","17.142","0.01","90","","90","","90","","848.4","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H4 Cu2 N6 -","- C7 H4 Cu2 N6 -","- C28 H16 Cu8 N24 -","4","1","","Wang, Fei; Zhang, Jian; Chen, Shu-Mei; Xie, Yi-Ming; Wu, Xiao-Yuan; Chen, Shan-Ci; Yu, Rong-Min; Lu, Can-Zhong","New (3,4)-connected intrinsically chiral topology observed in a homochiral coordination polymer from achiral precursors","CrystEngComm","2009","11","8","1526","","10.1039/b907092n","","","0.71073","MoKα","","0.0547","0.0498","","","0.1528","0.1594","","","","","","0.998","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201262","9.987","0.003","13.172","0.004","14.29","0.004","90","","90","","90","","1879.8","1","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H15 N4 O9 Tb -","- C18 H15 N4 O9 Tb -","- C72 H60 N16 O36 Tb4 -","4","1","","Yin, Pei-Xiu; Li, Zhao-Ji; Zhang, Jian; Zhang, Lei; Lin, Qi-Pu; Qin, Ye-Yan; Yao, Yuan-Gen","Protonated 3-amino-1,2,4-triazole templated luminescent lanthanide isophthalates with a rare (3,6)-connected topology","CrystEngComm","2009","11","12","2734","","10.1039/b907107e","","","0.71073","MoKα","","0.0483","0.0361","","","0.0879","0.097","","","","","","1.059","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201263","10.158","0.003","13.269","0.004","14.47","0.004","90","","90","","90","","1950.4","1","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H15 La N4 O9 -","- C18 H15 La N4 O9 -","- C72 H60 La4 N16 O36 -","4","1","","Yin, Pei-Xiu; Li, Zhao-Ji; Zhang, Jian; Zhang, Lei; Lin, Qi-Pu; Qin, Ye-Yan; Yao, Yuan-Gen","Protonated 3-amino-1,2,4-triazole templated luminescent lanthanide isophthalates with a rare (3,6)-connected topology","CrystEngComm","2009","11","12","2734","","10.1039/b907107e","","","0.71073","MoKα","","0.0408","0.0315","","","0.0618","0.0671","","","","","","1.027","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201264","9.9814","0.0003","11.9312","0.0003","16.8666","0.0006","107.263","0.003","95.397","0.003","99.704","0.002","1868.44","0.11","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C77 H61 N9 O20 Zn4 -","- C77 H61 N9 O20 Zn4 -","- C77 H61 N9 O20 Zn4 -","1","0.5","","Zhou, Dong-Sheng; Wang, Fang-Kuo; Yang, Shi-Yao; Xie, Zhao-Xiong; Huang, Rong-Bin","Substituent effect on the assembly of coordination polymers containing isophthalic acid and its derivatives","CrystEngComm","2009","11","11","2548","","10.1039/b907142c","","","0.71073","MoKα","","0.0439","0.0274","","","0.0636","0.0668","","","","","","0.952","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201265","18.1879","0.0006","10.6838","0.0003","31.74","0.0001","90","","102.899","0.004","90","","6011.9","0.3","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H48 N6 O17 Zn4 -","- C62 H48 N6 O17 Zn4 -","- C248 H192 N24 O68 Zn16 -","4","0.5","","Zhou, Dong-Sheng; Wang, Fang-Kuo; Yang, Shi-Yao; Xie, Zhao-Xiong; Huang, Rong-Bin","Substituent effect on the assembly of coordination polymers containing isophthalic acid and its derivatives","CrystEngComm","2009","11","11","2548","","10.1039/b907142c","","","0.71073","MoKα","","0.1176","0.0445","","","0.1011","0.1471","","","","","","0.997","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201266","7.4965","0.0002","15.5495","0.0004","18.1063","0.0004","90","","98.516","0.002","90","","2087.32","0.09","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 N2 O4 Zn -","- C22 H22 N2 O4 Zn -","- C88 H88 N8 O16 Zn4 -","4","1","","Zhou, Dong-Sheng; Wang, Fang-Kuo; Yang, Shi-Yao; Xie, Zhao-Xiong; Huang, Rong-Bin","Substituent effect on the assembly of coordination polymers containing isophthalic acid and its derivatives","CrystEngComm","2009","11","11","2548","","10.1039/b907142c","","","0.71073","MoKα","","0.0563","0.0303","","","0.0676","0.0726","","","","","","0.926","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201267","9.8673","0.0003","15.6848","0.0004","13.2389","0.0003","90","","95.342","0.002","90","","2040.04","0.09","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 Mn N2 O4 -","- C22 H22 Mn N2 O4 -","- C88 H88 Mn4 N8 O16 -","4","1","","Zhou, Dong-Sheng; Wang, Fang-Kuo; Yang, Shi-Yao; Xie, Zhao-Xiong; Huang, Rong-Bin","Substituent effect on the assembly of coordination polymers containing isophthalic acid and its derivatives","CrystEngComm","2009","11","11","2548","","10.1039/b907142c","","","0.71073","MoKα","","0.06","0.0395","","","0.1051","0.1125","","","","","","1.073","","","","has coordinates,has disorder","180343","2020-10-21","18:00:00",""
"7201268","6.774","0.003","8.264","0.003","12.751","0.005","103.055","0.009","91.66","0.009","90.889","0.01","694.9","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H34 N2 Na2 O8 S4 -","- C18 H34 N2 Na2 O8 S4 -","- C18 H34 N2 Na2 O8 S4 -","1","0.5","","Reyes-Martínez, Reyna; Höpfl, Herbert; Godoy-Alcántar, Carolina; Medrano, Felipe; Tlahuext, Hugo","Comparative analysis of M‒O, M‒S and cation‒π(arene) interactions in the alkali metal (Na+, K+, Rb+, Cs+) bis-dithiocarbamate salts of N,N′-dibenzyl-1,2-ethylenediamine","CrystEngComm","2009","11","11","2417","","10.1039/b907160a","","","0.71073","MoKα","","0.1368","0.0894","","","0.1601","0.1823","","","","","","1.116","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201269","6.4276","0.001","8.0682","0.0012","12.1202","0.0019","101.826","0.002","104.093","0.003","92.107","0.003","594.19","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H26 K2 N2 O4 S4 -","- C18 H26 K2 N2 O4 S4 -","- C18 H26 K2 N2 O4 S4 -","1","0.5","","Reyes-Martínez, Reyna; Höpfl, Herbert; Godoy-Alcántar, Carolina; Medrano, Felipe; Tlahuext, Hugo","Comparative analysis of M‒O, M‒S and cation‒π(arene) interactions in the alkali metal (Na+, K+, Rb+, Cs+) bis-dithiocarbamate salts of N,N′-dibenzyl-1,2-ethylenediamine","CrystEngComm","2009","11","11","2417","","10.1039/b907160a","","","0.71073","MoKα","","0.0419","0.0391","","","0.0937","0.0955","","","","","","1.12","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201270","21.895","0.002","6.4024","0.0007","17.464","0.0019","90","","108.53","0.002","90","","2321.2","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H20 N2 O Rb2 S4 -","- C18 H20 N2 O Rb2 S4 -","- C72 H80 N8 O4 Rb8 S16 -","4","0.5","","Reyes-Martínez, Reyna; Höpfl, Herbert; Godoy-Alcántar, Carolina; Medrano, Felipe; Tlahuext, Hugo","Comparative analysis of M‒O, M‒S and cation‒π(arene) interactions in the alkali metal (Na+, K+, Rb+, Cs+) bis-dithiocarbamate salts of N,N′-dibenzyl-1,2-ethylenediamine","CrystEngComm","2009","11","11","2417","","10.1039/b907160a","","","0.71073","MoKα","","0.0769","0.0652","","","0.1216","0.1263","","","","","","1.237","","","","has coordinates,has disorder","180343","2020-10-21","18:00:00",""
"7201271","22.422","0.0019","6.5428","0.0006","17.401","0.0015","90","","110.711","0.001","90","","2387.8","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H20 Cs2 N2 O S4 -","- C18 H20 Cs2 N2 O S4 -","- C72 H80 Cs8 N8 O4 S16 -","4","0.5","","Reyes-Martínez, Reyna; Höpfl, Herbert; Godoy-Alcántar, Carolina; Medrano, Felipe; Tlahuext, Hugo","Comparative analysis of M‒O, M‒S and cation‒π(arene) interactions in the alkali metal (Na+, K+, Rb+, Cs+) bis-dithiocarbamate salts of N,N′-dibenzyl-1,2-ethylenediamine","CrystEngComm","2009","11","11","2417","","10.1039/b907160a","","","0.71073","MoKα","","0.0304","0.0291","","","0.071","0.0718","","","","","","1.174","","","","has coordinates,has disorder","180343","2020-10-21","18:00:00",""
"7201272","15.677","0.003","10.452","0.002","20.855","0.004","90","","103.12","0.03","90","","3328","1.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H50 N4 S4 -","- C30 H50 N4 S4 -","- C120 H200 N16 S16 -","4","0.5","","Reyes-Martínez, Reyna; Höpfl, Herbert; Godoy-Alcántar, Carolina; Medrano, Felipe; Tlahuext, Hugo","Comparative analysis of M‒O, M‒S and cation‒π(arene) interactions in the alkali metal (Na+, K+, Rb+, Cs+) bis-dithiocarbamate salts of N,N′-dibenzyl-1,2-ethylenediamine","CrystEngComm","2009","11","11","2417","","10.1039/b907160a","","","0.71073","MoKα","","0.1304","0.1008","","","0.241","0.2585","","","","","","1.183","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201273","8.3466","0.0002","15.8125","0.0003","18.7686","0.0004","90","","90","","90","","2477.09","0.09","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H29 Cs O12 -","- C21 H29 Cs O12 -","- C84 H116 Cs4 O48 -","4","1","","Braga, Dario; d'Agostino, Simone; Polito, Marco; Rubini, Katia; Grepioni, Fabrizia","Caesium 18-crown[6] complexes with aromatic polycarboxylate anions: preparation, solid-state characterization and thermal behaviour","CrystEngComm","2009","11","9","1994","","10.1039/b907224a","","","0.71073","MoKα","","0.0496","0.0344","","","0.0556","0.0583","","","","","","0.842","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201274","8.2125","0.0003","15.2641","0.0004","18.9603","0.0006","90","","90","","90","","2376.8","0.13","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H29 Cs O10 -","- C20 H29 Cs O10 -","- C80 H116 Cs4 O40 -","4","1","","Braga, Dario; d'Agostino, Simone; Polito, Marco; Rubini, Katia; Grepioni, Fabrizia","Caesium 18-crown[6] complexes with aromatic polycarboxylate anions: preparation, solid-state characterization and thermal behaviour","CrystEngComm","2009","11","9","1994","","10.1039/b907224a","","","0.71073","MoKα","","0.0338","0.026","","","0.04","0.0412","","","","","","0.892","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201275","14.8028","0.0004","12.4245","0.0004","18.3359","0.0005","90","","90","","90","","3372.29","0.17","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H38 Cs2 O16 -","- C28 H32 Cs2 O16 -","- C112 H128 Cs8 O64 -","4","0.5","","Braga, Dario; d'Agostino, Simone; Polito, Marco; Rubini, Katia; Grepioni, Fabrizia","Caesium 18-crown[6] complexes with aromatic polycarboxylate anions: preparation, solid-state characterization and thermal behaviour","CrystEngComm","2009","11","9","1994","","10.1039/b907224a","","","0.71073","MoKα","","0.0879","0.045","","","0.0727","0.0805","","","","","","1.04","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201276","14.669","0.0005","27.0044","0.0009","17.2458","0.0004","90","","103.86","0.003","90","","6632.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C45 H93 Cs3 O33 -","- C45 H75 Cs3 O33 -","- C180 H300 Cs12 O132 -","4","1","","Braga, Dario; d'Agostino, Simone; Polito, Marco; Rubini, Katia; Grepioni, Fabrizia","Caesium 18-crown[6] complexes with aromatic polycarboxylate anions: preparation, solid-state characterization and thermal behaviour","CrystEngComm","2009","11","9","1994","","10.1039/b907224a","","","0.71073","MoKα","","0.1044","0.0526","","","0.1224","0.1364","","","","","","0.942","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201277","11.0263","0.0003","21.5415","0.0005","10.2369","0.0003","90","","97.333","0.002","90","","2411.61","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H62 Cs2 O18 -","- C38 H62 Cs2 O18 -","- C76 H124 Cs4 O36 -","2","0.5","","Braga, Dario; d'Agostino, Simone; Polito, Marco; Rubini, Katia; Grepioni, Fabrizia","Caesium 18-crown[6] complexes with aromatic polycarboxylate anions: preparation, solid-state characterization and thermal behaviour","CrystEngComm","2009","11","9","1994","","10.1039/b907224a","","","0.71073","MoKα","","0.0845","0.0323","","","0.0366","0.0413","","","","","","0.825","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201278","27.2991","0.0004","10.4306","0.0002","22.0035","0.0004","90","","101.003","0.002","90","","6150.23","0.19","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C96 H168 Cs4 O53 -","- C96 H156 Cs4 O53 -","- C192 H312 Cs8 O106 -","2","0.5","","Braga, Dario; d'Agostino, Simone; Polito, Marco; Rubini, Katia; Grepioni, Fabrizia","Caesium 18-crown[6] complexes with aromatic polycarboxylate anions: preparation, solid-state characterization and thermal behaviour","CrystEngComm","2009","11","9","1994","","10.1039/b907224a","","","0.71073","MoKα","","0.1332","0.0637","","","0.1546","0.1817","","","","","","0.95","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201279","13.1889","0.0006","8.607","0.0004","20.4006","0.0005","90","","93.461","0.003","90","","2311.59","0.16","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H48 N8 O24 Sm2 U2 -","- C34 H48 N8 O24 Sm2 U2 -","- C68 H96 N16 O48 Sm4 U4 -","2","0.5","","Thuéry, Pierre","Structural variability in uranyl‒lanthanide heterometallic complexes with DOTA and oxalato ligands","CrystEngComm","2009","11","11","2319","","10.1039/b907392b","","","0.71073","MoKα","","0.0229","0.0195","","","0.0468","0.0477","","","","","","1.054","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201280","13.1694","0.0013","8.623","0.0007","20.3522","0.0014","90","","93.309","0.006","90","","2307.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H48 Eu2 N8 O24 U2 -","- C34 H48 Eu2 N8 O24 U2 -","- C68 H96 Eu4 N16 O48 U4 -","2","0.5","","Thuéry, Pierre","Structural variability in uranyl‒lanthanide heterometallic complexes with DOTA and oxalato ligands","CrystEngComm","2009","11","11","2319","","10.1039/b907392b","","","0.71073","MoKα","","0.0484","0.0329","","","0.0661","0.0702","","","","","","0.993","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201281","43.698","0.002","8.3956","0.0003","19.467","0.0008","90","","115.999","0.002","90","","6419.1","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H64 Gd2 N8 O44 U4 -","- C38 H54 Gd2 N8 O44 U4 -","- C152 H216 Gd8 N32 O176 U16 -","4","0.5","","Thuéry, Pierre","Structural variability in uranyl‒lanthanide heterometallic complexes with DOTA and oxalato ligands","CrystEngComm","2009","11","11","2319","","10.1039/b907392b","","","0.71073","MoKα","","0.0564","0.0452","","","0.1166","0.1222","","","","","","1.058","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201282","13.4846","0.0013","6.6387","0.0011","16.759","0.002","90","","111.391","0.008","90","","1396.9","0.3","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C18 H27 Gd N4 O18 U2 -","- C18 H24 Gd N4 O18 U2 -","- C36 H48 Gd2 N8 O36 U4 -","2","0.5","","Thuéry, Pierre","Structural variability in uranyl‒lanthanide heterometallic complexes with DOTA and oxalato ligands","CrystEngComm","2009","11","11","2319","","10.1039/b907392b","","","0.71073","MoKα","","0.0884","0.0802","","","0.2183","0.2252","","","","","","1.069","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201283","14.3015","0.0011","7.5361","0.0006","18.7339","0.0014","90","","107.678","0.001","90","","1923.7","0.3","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N2 Ni O8 S -","- C19 H16 N2 Ni O8 S -","- C76 H64 N8 Ni4 O32 S4 -","4","1","","Miao, Xiao-He; Zhu, Long-Guan","Synthesis, supramolecular structures and catalytic properties of nickel(II) 3-sulfobenzoate complexes with chelating amine ligands","CrystEngComm","2009","11","11","2500","","10.1039/b907453h","","","0.71073","MoKα","","0.0426","0.0395","","","0.1","0.1016","","","","","","1.246","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201284","8.5583","0.0007","11.69","0.0009","16.026","0.0013","69.982","0.001","78.52","0.001","78.349","0.001","1460.7","0.2","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H24 N4 Ni O7 S -","- C31 H24 N4 Ni O7 S -","- C62 H48 N8 Ni2 O14 S2 -","2","1","","Miao, Xiao-He; Zhu, Long-Guan","Synthesis, supramolecular structures and catalytic properties of nickel(II) 3-sulfobenzoate complexes with chelating amine ligands","CrystEngComm","2009","11","11","2500","","10.1039/b907453h","","","0.71073","MoKα","","0.0899","0.0766","","","0.1843","0.1936","","","","","","1.117","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201285","12.875","0.003","14.763","0.004","15.643","0.004","107.09","0.004","94.328","0.004","106.234","0.004","2688.2","1.2","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H54 N6 Ni O20 S2 -","- C50 H52 N6 Ni O20 S2 -","- C100 H104 N12 Ni2 O40 S4 -","2","1","","Miao, Xiao-He; Zhu, Long-Guan","Synthesis, supramolecular structures and catalytic properties of nickel(II) 3-sulfobenzoate complexes with chelating amine ligands","CrystEngComm","2009","11","11","2500","","10.1039/b907453h","","","0.71073","MoKα","","0.0771","0.0578","","","0.1321","0.143","","","","","","1.069","","","","has coordinates,has disorder","180343","2020-10-21","18:00:00",""
"7201286","7.989","0.004","15.006","0.007","8.168","0.004","90","","109.145","0.008","90","","925","0.8","295","2","295","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H18 N2 Ni O8 S -","- C17 H18 N2 Ni O8 S -","- C34 H36 N4 Ni2 O16 S2 -","2","1","","Miao, Xiao-He; Zhu, Long-Guan","Synthesis, supramolecular structures and catalytic properties of nickel(II) 3-sulfobenzoate complexes with chelating amine ligands","CrystEngComm","2009","11","11","2500","","10.1039/b907453h","","","0.71073","MoKα","","0.028","0.027","","","0.0662","0.0668","","","","","","0.88","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201287","22.7084","0.0012","13.3203","0.0007","24.1383","0.0013","90","","92.821","0.001","90","","7292.6","0.7","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C67 H71 N15 Ni2 O23 S -","- C67 H69 N15 Ni2 O23 S -","- C268 H276 N60 Ni8 O92 S4 -","4","1","","Miao, Xiao-He; Zhu, Long-Guan","Synthesis, supramolecular structures and catalytic properties of nickel(II) 3-sulfobenzoate complexes with chelating amine ligands","CrystEngComm","2009","11","11","2500","","10.1039/b907453h","","","0.71073","MoKα","","0.0698","0.0493","","","0.1246","0.1392","","","","","","0.996","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201288","13.463","0.003","14.09","0.003","21.268","0.004","90","","93.875","0.009","90","","4025.2","1.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C74 H80 Co4 N16 O26 -","- C74 H80 Co4 N16 O26 -","- C148 H160 Co8 N32 O52 -","2","0.5","","Katsenis, Athanassios D.; Inglis, Ross; Slawin, Alexandra M. Z.; Kessler, Vadim G.; Brechin, Euan K.; Papaefstathiou, Giannis S.","Transforming the cube: a tetranuclear cobalt(II) cubane cluster and its transformation to a dimer of dimers","CrystEngComm","2009","11","10","2117","","10.1039/b907546c","","","1.54178","CuKα","","0.0515","0.0459","","","0.1099","0.1145","","","","","","1.028","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201289","20.4504","0.0018","12.7826","0.0011","20.0563","0.0017","90","","105.455","0.002","90","","5053.3","0.8","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H38 Co4 N12 O21 -","- C44 H36 Co4 N12 O21 -","- C176 H144 Co16 N48 O84 -","4","1","","Katsenis, Athanassios D.; Inglis, Ross; Slawin, Alexandra M. Z.; Kessler, Vadim G.; Brechin, Euan K.; Papaefstathiou, Giannis S.","Transforming the cube: a tetranuclear cobalt(II) cubane cluster and its transformation to a dimer of dimers","CrystEngComm","2009","11","10","2117","","10.1039/b907546c","","","0.71073","MoKα","","0.0778","0.0554","","","0.1232","0.1369","","","","","","1.061","","","","has coordinates,has disorder","180343","2020-10-21","18:00:00",""
"7201293","12.5784","0.0014","10.1347","0.0013","15.213","0.002","90","","97.987","0.002","90","","1920.5","0.4","298","2","298","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C36 H33 Cd2 N10 O9.5 -","- C36 H33 Cd2 N10 O9.5 -","- C72 H66 Cd4 N20 O19 -","2","0.5","","Cui, Feng-Yun; Huang, Kun-Lin; Xu, Yan-Qing; Han, Zhan-Gang; Liu, Xi; Chi, Ying-Nan; Hu, Chang-Wen","Structural variability of Cd(II) and Co(II) mixed-ligand coordination polymers: effect of ligand isomerism and metal-to-ligand ratio","CrystEngComm","2009","11","12","2757","","10.1039/b907606a","","","0.71073","MoKα","","0.073","0.0504","","","0.1297","0.1503","","","","","","1.063","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201294","9.5794","0.0009","11.4726","0.001","11.6041","0.001","79.982","0.001","66.818","0.001","76.132","0.001","1133.62","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H25 Co N5 O6 -","- C22 H25 Co N5 O6 -","- C44 H50 Co2 N10 O12 -","2","1","","Cui, Feng-Yun; Huang, Kun-Lin; Xu, Yan-Qing; Han, Zhan-Gang; Liu, Xi; Chi, Ying-Nan; Hu, Chang-Wen","Structural variability of Cd(II) and Co(II) mixed-ligand coordination polymers: effect of ligand isomerism and metal-to-ligand ratio","CrystEngComm","2009","11","12","2757","","10.1039/b907606a","","","0.71073","MoKα","","0.0312","0.0276","","","0.0745","0.0771","","","","","","1.005","","","","has coordinates,has disorder","180343","2020-10-21","18:00:00",""
"7201295","11.649","0.011","21.52","0.02","8.848","0.008","90","","109.956","0.014","90","","2085","3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 Cd N5 O7 -","- C18 H21 Cd N5 O7 -","- C72 H84 Cd4 N20 O28 -","4","1","","Cui, Feng-Yun; Huang, Kun-Lin; Xu, Yan-Qing; Han, Zhan-Gang; Liu, Xi; Chi, Ying-Nan; Hu, Chang-Wen","Structural variability of Cd(II) and Co(II) mixed-ligand coordination polymers: effect of ligand isomerism and metal-to-ligand ratio","CrystEngComm","2009","11","12","2757","","10.1039/b907606a","","","0.71073","MoKα","","0.0457","0.0316","","","0.0717","0.0761","","","","","","1.001","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201296","10.073","0.003","9.332","0.003","22.377","0.007","90","","93.215","0.004","90","","2100.2","1.1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 Co N5 O5 -","- C22 H23 Co N5 O5 -","- C88 H92 Co4 N20 O20 -","4","1","","Cui, Feng-Yun; Huang, Kun-Lin; Xu, Yan-Qing; Han, Zhan-Gang; Liu, Xi; Chi, Ying-Nan; Hu, Chang-Wen","Structural variability of Cd(II) and Co(II) mixed-ligand coordination polymers: effect of ligand isomerism and metal-to-ligand ratio","CrystEngComm","2009","11","12","2757","","10.1039/b907606a","","","0.71073","MoKα","","0.0575","0.0347","","","0.0738","0.0866","","","","","","1.058","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201297","11.8776","0.001","16.398","0.002","18.445","0.002","66.556","0.001","76.34","0.002","70.059","0.002","3077.2","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H59 Cd4 N15 O21 -","- C58 H59 Cd4 N15 O21 -","- C116 H118 Cd8 N30 O42 -","2","1","","Cui, Feng-Yun; Huang, Kun-Lin; Xu, Yan-Qing; Han, Zhan-Gang; Liu, Xi; Chi, Ying-Nan; Hu, Chang-Wen","Structural variability of Cd(II) and Co(II) mixed-ligand coordination polymers: effect of ligand isomerism and metal-to-ligand ratio","CrystEngComm","2009","11","12","2757","","10.1039/b907606a","","","0.71073","MoKα","","0.0568","0.0336","","","0.0775","0.0962","","","","","","1.016","","","","has coordinates,has disorder","180343","2020-10-21","18:00:00",""
"7201298","9.588","0.001","26.647","0.003","14.405","0.002","90","","90","","90","","3680.4","0.8","298","2","298","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C16 H20 Cd N5 O6 -","- C16 H20 Cd N5 O6 -","- C128 H160 Cd8 N40 O48 -","8","0.5","","Cui, Feng-Yun; Huang, Kun-Lin; Xu, Yan-Qing; Han, Zhan-Gang; Liu, Xi; Chi, Ying-Nan; Hu, Chang-Wen","Structural variability of Cd(II) and Co(II) mixed-ligand coordination polymers: effect of ligand isomerism and metal-to-ligand ratio","CrystEngComm","2009","11","12","2757","","10.1039/b907606a","","","0.71073","MoKα","","0.0839","0.0534","","","0.1161","0.1261","","","","","","1.162","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201299","14.2332","0.0015","17.1597","0.0018","8.6468","0.001","90","","102.428","0.002","90","","2062.4","0.4","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C18 H21 Cd N5 O7 -","- C18 H21 Cd N5 O7 -","- C72 H84 Cd4 N20 O28 -","4","1","","Cui, Feng-Yun; Huang, Kun-Lin; Xu, Yan-Qing; Han, Zhan-Gang; Liu, Xi; Chi, Ying-Nan; Hu, Chang-Wen","Structural variability of Cd(II) and Co(II) mixed-ligand coordination polymers: effect of ligand isomerism and metal-to-ligand ratio","CrystEngComm","2009","11","12","2757","","10.1039/b907606a","","","0.71073","MoKα","","0.0559","0.0461","","","0.118","0.1287","","","","","","1.055","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201301","6.6807","0.0001","13.2318","0.0002","19.327","0.0003","100.308","0.001","95.579","0.001","96.954","0.001","1656.11","0.04","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H28 Cd3 Cl4 O20 P4 -","- C15 H28 Cd3 Cl4 O20 P4 -","- C30 H56 Cd6 Cl8 O40 P8 -","2","1","","Jokiniemi, Jonna; Vepsäläinen, Jouko; Nätkinniemi, Harri; Peräniemi, Sirpa; Ahlgrén, Markku","Synthesis of phenyl substituted bisphosphonates and crystal structures and characterization of Cd complexes of (dichloromethylene)bisphosphonic acid phenyl and alkyl ester derivatives","CrystEngComm","2009","11","11","2431","","10.1039/b907874f","","","0.71073","MoKα","","0.0231","0.0197","","","0.0461","0.0476","","","","","","1.005","","","","has coordinates","180344","2020-10-21","18:00:00",""
"7201302","5.8432","0.0001","9.2266","0.0002","18.6853","0.0005","90","","91.103","0.001","90","","1007.19","0.04","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C13 H18 Cd Cl2 O10 P2 -","- C13 H18 Cd Cl2 O10 P2 -","- C26 H36 Cd2 Cl4 O20 P4 -","2","1","","Jokiniemi, Jonna; Vepsäläinen, Jouko; Nätkinniemi, Harri; Peräniemi, Sirpa; Ahlgrén, Markku","Synthesis of phenyl substituted bisphosphonates and crystal structures and characterization of Cd complexes of (dichloromethylene)bisphosphonic acid phenyl and alkyl ester derivatives","CrystEngComm","2009","11","11","2431","","10.1039/b907874f","","","0.71073","MoKα","","0.0201","0.0198","","","0.0499","0.0502","","","","","","1.035","","","","has coordinates","180344","2020-10-21","18:00:00",""
"7201303","31.2205","0.0003","10.1546","0.0001","11.651","0.0001","90","","103.107","0.001","90","","3597.51","0.06","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C4.5 H21 Cd1.5 Cl2 O13 P2 -","- C4.5 H21 Cd1.5 Cl2 O13 P2 -","- C36 H168 Cd12 Cl16 O104 P16 -","8","1","","Jokiniemi, Jonna; Vepsäläinen, Jouko; Nätkinniemi, Harri; Peräniemi, Sirpa; Ahlgrén, Markku","Synthesis of phenyl substituted bisphosphonates and crystal structures and characterization of Cd complexes of (dichloromethylene)bisphosphonic acid phenyl and alkyl ester derivatives","CrystEngComm","2009","11","11","2431","","10.1039/b907874f","","","0.71073","MoKα","","0.0283","0.0245","","","0.0575","0.0592","","","","","","1.095","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201304","8.0891","0.0012","9.4027","0.0009","10.1213","0.0011","114.699","0.011","103.187","0.009","101.465","0.009","642.21","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H11 Co N2 O5 -","- C15 H11 Co N2 O5 -","- C30 H22 Co2 N4 O10 -","2","1","","Fabelo, Oscar; Pasán, Jorge; Cañadillas-Delgado, Laura; Delgado, Fernando S.; Yuste, Consuelo; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Novel cobalt(II) coordination polymers based on 1,2,4,5-benzenetetracarboxylic acid and extended bis-monodentate ligands","CrystEngComm","2009","11","10","2169","","10.1039/b907895a","","x-ray","0.71073","Mokα","","0.0868","0.054","","","0.0731","0.0811","","","","","","1.127","","","","has coordinates","180344","2020-10-21","18:00:00",""
"7201305","9.0734","0.0004","9.5955","0.0007","10.1366","0.0007","93.025","0.006","113.334","0.005","106.25","0.004","764.46","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H28 Co N4 O10 -","- C34 H28 Co N4 O10 -","- C34 H28 Co N4 O10 -","1","0.5","","Fabelo, Oscar; Pasán, Jorge; Cañadillas-Delgado, Laura; Delgado, Fernando S.; Yuste, Consuelo; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Novel cobalt(II) coordination polymers based on 1,2,4,5-benzenetetracarboxylic acid and extended bis-monodentate ligands","CrystEngComm","2009","11","10","2169","","10.1039/b907895a","","x-ray","0.71073","Mokα","","0.0677","0.0427","","","0.0823","0.0891","","","","","","1.028","","","","has coordinates","180344","2020-10-21","18:00:00",""
"7201306","8.9901","0.0014","9.5945","0.0009","10.2763","0.0012","96.211","0.007","114.225","0.012","105.727","0.012","753.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 Co N8 O10 -","- C30 H24 Co N8 O10 -","- C30 H24 Co N8 O10 -","1","0.5","","Fabelo, Oscar; Pasán, Jorge; Cañadillas-Delgado, Laura; Delgado, Fernando S.; Yuste, Consuelo; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Novel cobalt(II) coordination polymers based on 1,2,4,5-benzenetetracarboxylic acid and extended bis-monodentate ligands","CrystEngComm","2009","11","10","2169","","10.1039/b907895a","","x-ray","0.71073","Mokα","","0.0572","0.0433","","","0.0979","0.1035","","","","","","1.104","","","","has coordinates","180344","2020-10-21","18:00:00",""
"7201307","9.3705","0.001","11.4792","0.0013","11.6886","0.0009","60.996","0.008","66.612","0.008","66.832","0.008","977.13","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H25 Co N2 O10 -","- C17 H13 Co N2 O10 -","- C34 H26 Co2 N4 O20 -","2","1","","Fabelo, Oscar; Pasán, Jorge; Cañadillas-Delgado, Laura; Delgado, Fernando S.; Yuste, Consuelo; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Novel cobalt(II) coordination polymers based on 1,2,4,5-benzenetetracarboxylic acid and extended bis-monodentate ligands","CrystEngComm","2009","11","10","2169","","10.1039/b907895a","","x-ray","0.71073","Mokα","","0.1019","0.0723","","","0.2005","0.2283","","","","","","1.072","","","","has coordinates","180344","2020-10-21","18:00:00",""
"7201308","18.4826","0.0009","19.7996","0.001","19.8862","0.001","98.04","0.002","106.87","0.002","108.149","0.002","6402","0.6","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H35 Cd Cl3 N8 O7 -","- C44 H35 Cd Cl3 N8 O7 -","- C264 H210 Cd6 Cl18 N48 O42 -","6","3","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Adding the second dimension with cadmium: two-dimensional sheets assembled from cadmium(ii) and 4′-phenyl-4,2′:6′,4′′-terpyridine and locked by π-stacked interactions","CrystEngComm","2009","11","11","2279","","10.1039/b907918a","","","0.71073","MoKα","","0.0628","0.0448","","0.0733","0.0458","0.0415","","","","","","1.027","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201309","18.9307","0.0013","18.9307","0.0013","20.989","0.002","90","","90","","90","","7521.9","1","145","2","145","2","","","","","","","","6","P 42/m c m","-P 4c 2c","132","((CH3)4N) Nd (C12H8N2)2 (C28H20S4O16) 3.5H2O","","","- C56 H55 N5 Nd O19.5 S4 -","- C56 H32 N5 Nd0.999 O16 S4 -","- C224 H128 N20 Nd3.996 O64 S16 -","4","0.25","","Liao, Wuping; Liu, Ce; Wang, Xiaofei; Zhu, Guangshan; Zhao, Xiaojun; Zhang, Hongjie","3D metal–organic frameworks incorporating water-soluble tetra-p-sulfonatocalix[4]arene","CrystEngComm","2009","11","11","2282","","10.1039/b908189e","","","0.71073","MoKα","","0.086","0.0691","","","0.212","0.2238","","","","","","1.084","","","","has coordinates","282882","2023-04-27","15:29:05",""
"7201310","19.1147","0.0004","19.1147","0.0004","21.1495","0.0007","90","","90","","90","","7727.4","0.3","185","2","185","2","","","","","","","","6","P 42/m c m","-P 4c 2c","132","((C2H5)4N) Eu (C12H8N2)2 (C28H20S4O16) 5H2O","","","- C60 H66 Eu N5 O21 S4 -","- C60 H32 Eu N5 O16 S4 -","- C240 H128 Eu4 N20 O64 S16 -","4","0.25","","Liao, Wuping; Liu, Ce; Wang, Xiaofei; Zhu, Guangshan; Zhao, Xiaojun; Zhang, Hongjie","3D metal–organic frameworks incorporating water-soluble tetra-p-sulfonatocalix[4]arene","CrystEngComm","2009","11","11","2282","","10.1039/b908189e","","","0.71073","MoKα","","0.078","0.0629","","","0.2064","0.2178","","","","","","1.168","","","","has coordinates","282882","2023-04-27","15:29:06",""
"7201311","18.9307","0.0013","18.9307","0.0013","20.989","0.002","90","","90","","90","","7521.9","1","145","2","145","2","","","","","","","","6","P 42/m c m","-P 4c 2c","132","[(CH3)4N] Nd [C12H8N2]2 [C28H20S4O16] 3.5H2O","","","- C56 H55 N5 Nd O19.5 S4 -","- C56 H32 N5 Nd0.998 O19.5 S4 -","- C224 H128 N20 Nd3.992 O78 S16 -","4","0.25","","Liao, Wuping; Liu, Ce; Wang, Xiaofei; Zhu, Guangshan; Zhao, Xiaojun; Zhang, Hongjie","3D metal–organic frameworks incorporating water-soluble tetra-p-sulfonatocalix[4]arene","CrystEngComm","2009","11","11","2282","","10.1039/b908189e","","","0.71073","MoKα","","0.1514","0.1259","","","0.3533","0.3685","","","","","","1.135","","","","has coordinates","282882","2023-04-27","15:29:06",""
"7201312","19.1147","0.0004","19.1147","0.0004","21.1495","0.0007","90","","90","","90","","7727.4","0.3","184","2","185","2","","","","","","","","6","P 42/m c m","-P 4c 2c","132","[(C2H5)4N] Eu [C12H8N2]2 [C28H20S4O16] 5H2O","","","- C60 H66 Eu N5 O21 S4 -","- C60 H32 Eu N5 O21 S4 -","- C240 H128 Eu4 N20 O84 S16 -","4","0.25","","Liao, Wuping; Liu, Ce; Wang, Xiaofei; Zhu, Guangshan; Zhao, Xiaojun; Zhang, Hongjie","3D metal–organic frameworks incorporating water-soluble tetra-p-sulfonatocalix[4]arene","CrystEngComm","2009","11","11","2282","","10.1039/b908189e","","","0.71073","MoKα","","0.1129","0.0926","","","0.3401","0.3644","","","","","","1.551","","","","has coordinates","282882","2023-04-27","15:29:06",""
"7201314","8.7682","0.0012","22.742","0.003","14.533","0.002","90","","91.819","0.002","90","","2896.5","0.7","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H64 N18 O10 Zn -","- C56 H64 N18 O10 Zn -","- C112 H128 N36 O20 Zn2 -","2","0.5","","Khanpour, Mojtaba; Morsali, Ali","Solid state crystal-to-crystal transformation from a monomeric structure to 1-D coordination polymers on anion exchange,","CrystEngComm","2009","11","12","2585","","10.1039/b908362f","","","0.71073","MoKα","","0.0679","0.0581","","","0.1227","0.1279","","","","","","1.152","","","","has coordinates","180344","2020-10-21","18:00:00",""
"7201315","12.618","0.004","13.076","0.004","8.739","0.003","90","","106.414","0.004","90","","1383.1","0.8","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 N14 Zn -","- C28 H28 N14 Zn -","- C56 H56 N28 Zn2 -","2","0.5","","Khanpour, Mojtaba; Morsali, Ali","Solid state crystal-to-crystal transformation from a monomeric structure to 1-D coordination polymers on anion exchange,","CrystEngComm","2009","11","12","2585","","10.1039/b908362f","","","0.71073","MoKα","","0.0492","0.0312","","","0.0697","0.0735","","","","","","1.065","","","","has coordinates","180344","2020-10-21","18:00:00",""
"7201316","9.5576","0.0005","16.9548","0.001","9.6533","0.0005","90","","98.63","0.003","90","","1546.58","0.15","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 N10 S2 Zn -","- C30 H28 N10 S2 Zn -","- C60 H56 N20 S4 Zn2 -","2","0.5","","Khanpour, Mojtaba; Morsali, Ali","Solid state crystal-to-crystal transformation from a monomeric structure to 1-D coordination polymers on anion exchange,","CrystEngComm","2009","11","12","2585","","10.1039/b908362f","","","0.71073","MoKα","","0.0739","0.0632","","","0.2025","0.2069","","","","","","1.195","","","","has coordinates","180344","2020-10-21","18:00:00",""
"7201317","22.9263","0.0011","6.4164","0.0004","20.1881","0.001","90","","109.039","0.003","90","","2807.3","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H38 N8 Na2 O19 -","- C10 H38 N8 Na2 O19 -","- C40 H152 N32 Na8 O76 -","4","1","","Gilroy, Joe B.; Lemaire, Martin T.; Patrick, Brian O.; Hicks, Robin G.","Structure and magnetism of a verdazyl radical clathrate hydrate. Strong intermolecular magnetic interactions derived from π-stacking within ice-like channels","CrystEngComm","2009","11","10","2180","","10.1039/b908520c","","","0.71073","MoKα","","0.1006","0.0467","","","0.0959","0.115","","","","","","1.009","","","","has coordinates","273632","2022-03-11","01:09:36",""
"7201325","9.2614","0.0004","16.7417","0.001","19.954","0.002","87.376","0.002","85.775","0.001","80.512","0.001","3041.5","0.4","294.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H24 Cl6 O10 S26 -","- C42 H24 Cl6 O10 S26 -","- C84 H48 Cl12 O20 S52 -","2","1","","Akutsu, Hiroki; Yamada, Jun-ichi; Nakatsuji, Shin'ichi; Turner, Scott S.","A new anionic acceptor, 2-sulfo-3,5,6-trichloro-1,4-benzoquinone and its charge-transfer salts","CrystEngComm","2009","11","12","2588","","10.1039/b909519e","","","0.71069","MoKα","","","0.0732","","","","0.0596","","","","","","1.109","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201326","20.145","0.005","7.6851","0.0016","10.8017","0.0005","90","","98.2929","0.0009","90","","1654.8","0.5","294.1","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C22 H8 Cl6 O10 S10 -","- C22 H8 Cl6 O10 S10 -","- C44 H16 Cl12 O20 S20 -","2","0.25","","Akutsu, Hiroki; Yamada, Jun-ichi; Nakatsuji, Shin'ichi; Turner, Scott S.","A new anionic acceptor, 2-sulfo-3,5,6-trichloro-1,4-benzoquinone and its charge-transfer salts","CrystEngComm","2009","11","12","2588","","10.1039/b909519e","","","0.71069","MoKα","","","0.065","","","","0.0527","","","","","","1.159","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201327","10.091","0.003","24.04","0.003","11.305","0.002","90","","94.129","0.019","90","","2735.3","1","295.1","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C30 H20 Cl3 O5 P S -","- C30 H20 Cl3 O5 P S -","- C120 H80 Cl12 O20 P4 S4 -","4","1","","Akutsu, Hiroki; Yamada, Jun-ichi; Nakatsuji, Shin'ichi; Turner, Scott S.","A new anionic acceptor, 2-sulfo-3,5,6-trichloro-1,4-benzoquinone and its charge-transfer salts","CrystEngComm","2009","11","12","2588","","10.1039/b909519e","","","0.71069","MoKα","","","0.0482","","","","0.0601","","","","","","1.076","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201328","11.189","0.004","11.313","0.002","12.325","0.003","101.365","0.01","96.986","0.004","109.968","0.0018","1407","0.7","295.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H22 Cl3 O5 P S -","- C30 H22 Cl3 O5 P S -","- C60 H44 Cl6 O10 P2 S2 -","2","1","","Akutsu, Hiroki; Yamada, Jun-ichi; Nakatsuji, Shin'ichi; Turner, Scott S.","A new anionic acceptor, 2-sulfo-3,5,6-trichloro-1,4-benzoquinone and its charge-transfer salts","CrystEngComm","2009","11","12","2588","","10.1039/b909519e","","","0.71069","MoKα","","","0.0693","","","","0.0547","","","","","","1.069","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201329","8.164","0.002","9.5175","0.0013","11.0589","0.0013","79.876","0.004","80.3547","0.0009","88.6647","0.0012","833.9","0.3","295.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H4 Cl3 O5 S5 -","- C12 H4 Cl3 O5 S5 -","- C24 H8 Cl6 O10 S10 -","2","1","","Akutsu, Hiroki; Yamada, Jun-ichi; Nakatsuji, Shin'ichi; Turner, Scott S.","A new anionic acceptor, 2-sulfo-3,5,6-trichloro-1,4-benzoquinone and its charge-transfer salts","CrystEngComm","2009","11","12","2588","","10.1039/b909519e","","","0.71069","MoKα","","","0.0683","","","","0.0542","","","","","","0.976","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201330","10.73","0.007","6.88","0.004","23.28","0.015","90","","90","","90","","1718.6","1.9","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H12 Ag N7 O3 -","- C18 H12 Ag N7 O3 -","- C72 H48 Ag4 N28 O12 -","4","1","","Yan, Chunfeng; Chen, Lian; Feng, Rui; Jiang, Feilong; Hong, Maochun","Thermally stable helical chain and octanuclear Ag(I) coordination networks with yellow luminescence","CrystEngComm","2009","11","11","2529","","10.1039/b909549g","","","0.71073","MoKα","","0.0606","0.0502","","","0.1378","0.1492","","","","","","0.976","","","","has coordinates","180344","2020-10-21","18:00:00",""
"7201331","9.116","0.003","29.567","0.009","21.28","0.006","90","","108.425","0.012","90","","5442","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H48 Ag2 N8 O9 P2 -","- C54 H44 Ag2 N8 O9 P2 -","- C216 H176 Ag8 N32 O36 P8 -","4","1","","Yan, Chunfeng; Chen, Lian; Feng, Rui; Jiang, Feilong; Hong, Maochun","Thermally stable helical chain and octanuclear Ag(I) coordination networks with yellow luminescence","CrystEngComm","2009","11","11","2529","","10.1039/b909549g","","","0.71073","MoKα","","0.0923","0.0693","","","0.1707","0.1864","","","","","","1.14","","","","has coordinates","180344","2020-10-21","18:00:00",""
"7201332","12.021","0.003","13.251","0.005","15.09","0.005","78.14","0.02","66.925","0.014","63.551","0.012","1978.5","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H24 Ag4 N16 O9 -","- C37 H24 Ag4 N16 O9 -","- C74 H48 Ag8 N32 O18 -","2","1","","Yan, Chunfeng; Chen, Lian; Feng, Rui; Jiang, Feilong; Hong, Maochun","Thermally stable helical chain and octanuclear Ag(I) coordination networks with yellow luminescence","CrystEngComm","2009","11","11","2529","","10.1039/b909549g","","","0.71073","MoKα","","0.036","0.0319","","","0.0813","0.0839","","","","","","1.065","","","","has coordinates","180344","2020-10-21","18:00:00",""
"7201333","7.747","0.005","11.305","0.005","14.063","0.005","102.087","0.005","96.866","0.005","91.748","0.005","1193.7","1","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H24.5 Cl3 Cu N4 O4.75 -","- C20 H21 Cl3 Cu N4 O4.75 -","- C40 H42 Cl6 Cu2 N8 O9.5 -","2","1","","Beves, Jonathon E.; Constable, Edwin C.; Decurtins, Silvio; Dunphy, Emma L.; Housecroft, Catherine E.; Keene, Tony D.; Neuburger, Markus; Schaffner, Silvia; Zampese, Jennifer A.","Structural diversity in the reactions of 4′-(pyridyl)-2,2′:6′,2″-terpyridine ligands and bis{4′-(4-pyridyl)-2,2′:6′,2″-terpyridine}iron(II) with copper(II) salts","CrystEngComm","2009","11","11","2406","","10.1039/b909639f","","","0.71073","MoKα","","0.0419","0.0394","","","0.1064","0.1083","","","","","","1.102","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7201334","11.09","0.002","8.0686","0.0016","21.934","0.004","90","","90","","90","","1962.7","0.6","223","2","223","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C20 H18 Cl2 Cu N4 O2 -","- C20 H18 Cl2 Cu N4 O2 -","- C80 H72 Cl8 Cu4 N16 O8 -","4","0.5","","Beves, Jonathon E.; Constable, Edwin C.; Decurtins, Silvio; Dunphy, Emma L.; Housecroft, Catherine E.; Keene, Tony D.; Neuburger, Markus; Schaffner, Silvia; Zampese, Jennifer A.","Structural diversity in the reactions of 4′-(pyridyl)-2,2′:6′,2″-terpyridine ligands and bis{4′-(4-pyridyl)-2,2′:6′,2″-terpyridine}iron(II) with copper(II) salts","CrystEngComm","2009","11","11","2406","","10.1039/b909639f","","","0.71073","MoKα","","0.0349","0.0316","","","0.0719","0.0733","","","","","","1.173","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201335","8.175","0.003","8.646","0.003","16.128","0.006","95.35","0.03","99.39","0.03","108.48","0.02","1053.8","0.7","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H20 Cl2 Cu N4 O2 -","- C21 H20 Cl2 Cu N4 O2 -","- C42 H40 Cl4 Cu2 N8 O4 -","2","1","","Beves, Jonathon E.; Constable, Edwin C.; Decurtins, Silvio; Dunphy, Emma L.; Housecroft, Catherine E.; Keene, Tony D.; Neuburger, Markus; Schaffner, Silvia; Zampese, Jennifer A.","Structural diversity in the reactions of 4′-(pyridyl)-2,2′:6′,2″-terpyridine ligands and bis{4′-(4-pyridyl)-2,2′:6′,2″-terpyridine}iron(II) with copper(II) salts","CrystEngComm","2009","11","11","2406","","10.1039/b909639f","","","0.71073","MoKα","","0.0389","0.0369","","","0.1002","0.102","","","","","","1.062","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201336","8.6108","0.0009","14.2027","0.0013","15.6746","0.0014","88.347","0.007","78.786","0.008","78.373","0.008","1841.7","0.3","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H16 Cl2 Cu N4 O -","- C20 H16 Cl2 Cu N4 O -","- C80 H64 Cl8 Cu4 N16 O4 -","4","2","","Beves, Jonathon E.; Constable, Edwin C.; Decurtins, Silvio; Dunphy, Emma L.; Housecroft, Catherine E.; Keene, Tony D.; Neuburger, Markus; Schaffner, Silvia; Zampese, Jennifer A.","Structural diversity in the reactions of 4′-(pyridyl)-2,2′:6′,2″-terpyridine ligands and bis{4′-(4-pyridyl)-2,2′:6′,2″-terpyridine}iron(II) with copper(II) salts","CrystEngComm","2009","11","11","2406","","10.1039/b909639f","","","0.71073","MoKα","","0.0324","0.0303","","","0.079","0.0802","","","","","","1.082","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201337","8.3335","0.0015","15.501","0.003","15.448","0.003","90","","90.173","0.015","90","","1995.5","0.7","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 Cl2 Cu N4 O -","- C21 H18 Cl2 Cu N4 O -","- C84 H72 Cl8 Cu4 N16 O4 -","4","1","","Beves, Jonathon E.; Constable, Edwin C.; Decurtins, Silvio; Dunphy, Emma L.; Housecroft, Catherine E.; Keene, Tony D.; Neuburger, Markus; Schaffner, Silvia; Zampese, Jennifer A.","Structural diversity in the reactions of 4′-(pyridyl)-2,2′:6′,2″-terpyridine ligands and bis{4′-(4-pyridyl)-2,2′:6′,2″-terpyridine}iron(II) with copper(II) salts","CrystEngComm","2009","11","11","2406","","10.1039/b909639f","","","0.71073","MoKα","","0.043","0.0382","","","0.1006","0.104","","","","","","1.061","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201338","11.894","0.002","13.086","0.003","14.509","0.003","108.38","0.03","105.6","0.03","96.33","0.03","2016.6","1","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C80 H68 Cl10 Cu3 Fe2 N16 O6 -","- C80 H68 Cl10 Cu3 Fe2 N16 O6 -","- C80 H68 Cl10 Cu3 Fe2 N16 O6 -","1","0.5","","Beves, Jonathon E.; Constable, Edwin C.; Decurtins, Silvio; Dunphy, Emma L.; Housecroft, Catherine E.; Keene, Tony D.; Neuburger, Markus; Schaffner, Silvia; Zampese, Jennifer A.","Structural diversity in the reactions of 4′-(pyridyl)-2,2′:6′,2″-terpyridine ligands and bis{4′-(4-pyridyl)-2,2′:6′,2″-terpyridine}iron(II) with copper(II) salts","CrystEngComm","2009","11","11","2406","","10.1039/b909639f","","","0.71073","MoKα","","0.0985","0.0789","","","0.1946","0.2082","","","","","","1.119","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201339","7.7958","0.0016","11.045","0.002","13.785","0.003","88.48","0.03","85.04","0.03","88.29","0.03","1181.6","0.4","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H23 Cl3 Cu N4 O4 -","- C20 H21 Cl3 Cu N4 O4 -","- C40 H42 Cl6 Cu2 N8 O8 -","2","1","","Beves, Jonathon E.; Constable, Edwin C.; Decurtins, Silvio; Dunphy, Emma L.; Housecroft, Catherine E.; Keene, Tony D.; Neuburger, Markus; Schaffner, Silvia; Zampese, Jennifer A.","Structural diversity in the reactions of 4′-(pyridyl)-2,2′:6′,2″-terpyridine ligands and bis{4′-(4-pyridyl)-2,2′:6′,2″-terpyridine}iron(II) with copper(II) salts","CrystEngComm","2009","11","11","2406","","10.1039/b909639f","","","0.71073","MoKα","","0.0693","0.0647","","","0.1722","0.1775","","","","","","1.089","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201340","25.187","0.004","10.8273","0.0017","21.822","0.003","90","","93.36","0.01","90","","5940.8","1.6","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Cu N6 O7 -","- C20 H16 Cu N6 O7 -","- C240 H192 Cu12 N72 O84 -","12","3","","Beves, Jonathon E.; Constable, Edwin C.; Decurtins, Silvio; Dunphy, Emma L.; Housecroft, Catherine E.; Keene, Tony D.; Neuburger, Markus; Schaffner, Silvia; Zampese, Jennifer A.","Structural diversity in the reactions of 4′-(pyridyl)-2,2′:6′,2″-terpyridine ligands and bis{4′-(4-pyridyl)-2,2′:6′,2″-terpyridine}iron(II) with copper(II) salts","CrystEngComm","2009","11","11","2406","","10.1039/b909639f","","","0.71073","MoKα","","0.0987","0.076","","0.1381","0.0819","0.0819","","","","","","1.0047","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201343","9.475","0.0019","10.6","0.002","13.314","0.004","90","","129.625","0.019","90","","1030","0.5","173","2","173","2","","","","","","","","8","P 1 c 1","P -2yc","7","","","","- C8 H27 Al B5 F N6 O10 Zn -","- C8 H27 Al B5 F N6 O10 Zn -","- C16 H54 Al2 B10 F2 N12 O20 Zn2 -","2","1","","Zhou, Jian; Zheng, Shou-Tian; Zhang, Mingyi; Liu, Guang-Zhen; Yang, Guo-Yu","A new layered aluminoborate [Zn(dien)2][{Al(OH)}{B5O9F}] templated by transition metal complexes","CrystEngComm","2009","11","12","2597","","10.1039/b909693k","","","0.71073","MoKα","","0.0785","0.0652","","","0.1743","0.1889","","","","","","1.015","","","","has coordinates","180344","2020-10-21","18:00:00",""
"7201344","29.411","0.01","29.411","0.01","8.116","0.003","90","","90","","120","","6080","4","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C8 H12 In N O8 -","- C8 H12 In N O8 -","- C144 H216 In18 N18 O144 -","18","1","","Gao, Qiang; Wu, Ming-Yan; Huang, You-Gui; Chen, Lian; Wei, Wei; Zhang, Qing-Fu; Jiang, Fei-Long; Hong, Mao-Chun","Double-walled tubular metal‒organic frameworks constructed from bi-strand helices","CrystEngComm","2009","11","9","1831","","10.1039/b909731g","","","0.71073","MoKα","","0.0667","0.0462","","","0.0994","0.1078","","","","","","1.088","","","","has coordinates","180344","2020-10-21","18:00:00",""
"7201345","27.652","0.005","27.652","0.005","20.028","0.009","90","","90","","120","","13262","7","293","2","293","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C16 H16 In2 O19 S2 -","- C16 H12 In2 O19 S2.003 -","- C288 H216 In36 O342 S36.054 -","18","0.5","","Gao, Qiang; Wu, Ming-Yan; Huang, You-Gui; Chen, Lian; Wei, Wei; Zhang, Qing-Fu; Jiang, Fei-Long; Hong, Mao-Chun","Double-walled tubular metal‒organic frameworks constructed from bi-strand helices","CrystEngComm","2009","11","9","1831","","10.1039/b909731g","","","0.71073","MoKα","","0.0658","0.06","","","0.1757","0.182","","","","","","1.074","","","","has coordinates,has disorder","180344","2020-10-21","18:00:00",""
"7201346","14.8041","0.0009","10.8197","0.0004","16.0239","0.0008","90","","110.092","0.006","90","","2410.4","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 Cd3 N4 O16 -","- C18 H22 Cd3 N4 O16 -","- C72 H88 Cd12 N16 O64 -","4","0.5","","Liu, Yong-Ru; Li, Lei; Yang, Tao; Yu, Xing-Wen; Su, Cheng-Yong","Dehydration and rehydration behavior of a trinodal topological 3-D framework of Cd(II) benzimidazole-5,6-dicarboxylate","CrystEngComm","2009","11","12","2712","","10.1039/b909772d","","","0.71073","MoKα","","0.0613","0.0377","","","0.0596","0.0627","","","","","","1.009","","","","has coordinates","180344","2020-10-21","18:00:00",""
"7201347","14.319","0.003","11.0272","0.0016","16.0721","0.0018","90","","109.962","0.017","90","","2385.3","0.7","333","2","333","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 Cd3 N4 O14 -","- C18 H18 Cd3 N4 O14 -","- C72 H72 Cd12 N16 O56 -","4","0.5","","Liu, Yong-Ru; Li, Lei; Yang, Tao; Yu, Xing-Wen; Su, Cheng-Yong","Dehydration and rehydration behavior of a trinodal topological 3-D framework of Cd(II) benzimidazole-5,6-dicarboxylate","CrystEngComm","2009","11","12","2712","","10.1039/b909772d","","","0.71073","MoKα","","0.1347","0.0733","","","0.1436","0.1626","","","","","","1.003","","","","has coordinates","180344","2020-10-21","18:00:00",""
"7201398","10.2001","0.0006","10.4146","0.0006","10.7531","0.0007","111.736","0.001","117.78","0.001","92.027","0.001","908.23","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H50 O22 Sm2 -","- C24 H30 O19 Sm2 -","- C24 H30 O19 Sm2 -","1","0.5","","Lü, Jian; Bi, Wen-Hua; Cao, Rong","Observation of the least stable conformer of 1,4-cyclohexanedicarboxylic anions in a samarium coordination architecture","CrystEngComm","2009","11","11","2248","","10.1039/b909821f","","","0.71073","MoKα","","0.0631","0.0548","","","0.1343","0.1428","","","","","","1.056","","","","has coordinates,has disorder","180344","2020-10-21","18:00:00",""
"7201400","20.622","0.004","7.3581","0.0015","21.626","0.004","90","","103.42","0.03","90","","3191.9","1.1","153","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 N3 S -","- C18 H17 N3 S -","- C144 H136 N24 S8 -","8","2","","Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua","An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding","CrystEngComm","2009","11","11","2268","","10.1039/b910263a","","","0.71073","MoKα","","0.1081","0.0394","","","0.0856","0.1016","","","","","","0.905","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201401","18.946","0.004","8.8906","0.0018","20.698","0.004","90","","104.51","0.03","90","","3375.2","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37 H38 N6 O S2 -","- C37 H34 N6 O S2 -","- C148 H136 N24 O4 S8 -","4","0.5","","Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua","An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding","CrystEngComm","2009","11","11","2268","","10.1039/b910263a","","","0.71073","MoKα","","0.0625","0.0531","","","0.1319","0.1371","","","","","","1.146","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201402","16.458","0.005","6.0708","0.0004","21.095","0.0012","90","","90","","90","","2107.7","0.7","293","2","293","2","","","280000","","","","","6","P b c n","-P 2n 2ab","60","bromochlorofluorocarboxylic acid","bromochlorofluorocarboxylic acid","","- C2 H Br Cl F O2 -","- C2 H Br Cl F O2 -","- C32 H16 Br16 Cl16 F16 O32 -","16","2","","Gajda, Roman; Katrusiak, Andrzej; Crassous, Jeanne","Pressure-controlled aggregation in carboxylic acids. A case study on the polymorphism of bromochlorofluoroacetic acid","CrystEngComm","2009","11","12","2668","","10.1039/b910409g","","","0.71073","MoKα","","0.082","0.0684","","","0.1611","0.1696","","","","","","1.204","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201403","16.169","0.004","6.0038","0.0016","20.971","0.004","90","","90","","90","","2035.8","0.8","293","2","293","2","","","590000","","","","","6","P b c n","-P 2n 2ab","60","bromochlorofluorocarboxylic acid","bromochlorofluorocarboxylic acid","","- C2 H Br Cl F O2 -","- C2 H Br Cl F O2 -","- C32 H16 Br16 Cl16 F16 O32 -","16","2","","Gajda, Roman; Katrusiak, Andrzej; Crassous, Jeanne","Pressure-controlled aggregation in carboxylic acids. A case study on the polymorphism of bromochlorofluoroacetic acid","CrystEngComm","2009","11","12","2668","","10.1039/b910409g","","","0.71073","MoKα","","0.0694","0.0616","","","0.1475","0.153","","","","","","1.026","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201404","7.898","0.002","7.84","0.003","8.043","0.002","90","","95.553","0.014","90","","495.7","0.3","293","2","293","2","","","800000","","","","","6","P 1 21/c 1","-P 2ybc","14","bromochlorofluorocarboxylic acid","bromochlorofluorocarboxylic acid","","- C2 H Br Cl F O2 -","- C2 H Br Cl F O2 -","- C8 H4 Br4 Cl4 F4 O8 -","4","1","","Gajda, Roman; Katrusiak, Andrzej; Crassous, Jeanne","Pressure-controlled aggregation in carboxylic acids. A case study on the polymorphism of bromochlorofluoroacetic acid","CrystEngComm","2009","11","12","2668","","10.1039/b910409g","","","0.71073","MoKα","","0.0589","0.0575","","","0.1732","0.1751","","","","","","1.203","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201405","7.73","0.003","7.685","0.003","7.997","0.002","90","","95.74","0.02","90","","472.7","0.3","293","2","293","2","","","1370000","","","","","6","P 1 21/c 1","-P 2ybc","14","bromochlorofluorocarboxylic acid","bromochlorofluorocarboxylic acid","","- C2 H Br Cl F O2 -","- C2 H Br Cl F O2 -","- C8 H4 Br4 Cl4 F4 O8 -","4","1","","Gajda, Roman; Katrusiak, Andrzej; Crassous, Jeanne","Pressure-controlled aggregation in carboxylic acids. A case study on the polymorphism of bromochlorofluoroacetic acid","CrystEngComm","2009","11","12","2668","","10.1039/b910409g","","","0.71073","MoKα","","0.0467","0.0443","","","0.1173","0.1201","","","","","","1.173","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201406","15.274","0.004","5.8537","0.0003","20.7562","0.0012","90","","90","","90","","1855.8","0.5","293","2","293","2","","","1930000","","","","","6","P b c n","-P 2n 2ab","60","bromochlorofluorocarboxylic acid","bromochlorofluorocarboxylic acid","","- C2 H Br Cl F O2 -","- C2 H Br Cl F O2 -","- C32 H16 Br16 Cl16 F16 O32 -","16","2","","Gajda, Roman; Katrusiak, Andrzej; Crassous, Jeanne","Pressure-controlled aggregation in carboxylic acids. A case study on the polymorphism of bromochlorofluoroacetic acid","CrystEngComm","2009","11","12","2668","","10.1039/b910409g","","","0.71073","MoKα","","0.1144","0.1076","","","0.2752","0.2815","","","","","","1.241","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201407","11.0197","0.0001","11.501","0.0002","35.2773","0.0005","89.1256","0.0004","85.2348","0.0005","70.0039","0.0006","4186.5","0.1","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H46 Cl2 Fe O14 S40 -","- C57 H42 Cl2 Fe O14 S40 -","- C114 H84 Cl4 Fe2 O28 S80 -","2","1","","Zhang, Bin; Zhang, Yan; Liu, Fen; Guo, Yanjun","Synthesis, crystal structure, and characterization of charge-transfer salt: (BEDT-TTF)5[Fe(C2O4)3]·(H2O)2·CH2Cl2 (BEDT-TTF = bis(ethylenedithio)tetrathiafulvalene)","CrystEngComm","2009","11","11","2523","","10.1039/b910483f","","","0.71073","MoKα","","0.0869","0.0414","","","0.0898","0.0987","","","","","","0.936","","","","has coordinates,has disorder","180345","2020-10-21","18:00:00",""
"7201408","11.148","0.0001","11.55","0.0001","35.312","0.0006","89.3682","0.0004","85.1561","0.0005","70.333","0.0007","4265.49","0.09","290","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H46 Cl2 Fe O14 S40 -","- C57 H40 Cl2 Fe O14 S40 -","- C114 H80 Cl4 Fe2 O28 S80 -","2","1","","Zhang, Bin; Zhang, Yan; Liu, Fen; Guo, Yanjun","Synthesis, crystal structure, and characterization of charge-transfer salt: (BEDT-TTF)5[Fe(C2O4)3]·(H2O)2·CH2Cl2 (BEDT-TTF = bis(ethylenedithio)tetrathiafulvalene)","CrystEngComm","2009","11","11","2523","","10.1039/b910483f","","","0.71073","MoKα","","0.1256","0.0474","","","0.09","0.1045","","","","","","0.898","","","","has coordinates,has disorder","180345","2020-10-21","18:00:00",""
"7201409","8.747","0.0017","26.028","0.005","15.665","0.003","90","","104.07","0.03","90","","3459.4","1.2","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H33 Co Cr K N3 O18 -","- C28 H33 Co Cr K N3 O18 -","- C112 H132 Co4 Cr4 K4 N12 O72 -","4","1","","Coronado, Eugenio; Galán-Mascarós, José R.; Martí-Gastaldo, Carlos","Design of bimetallic magnetic chains based on oxalate complexes: towards single chain magnets","CrystEngComm","2009","11","10","2143","","10.1039/b910490a","","","0.71073","MoKα","","0.1552","0.0764","","","0.1768","0.2322","","","","","","1.026","","","","has coordinates,has disorder","180345","2020-10-21","18:00:00",""
"7201410","8.819","0.0018","26.198","0.005","15.739","0.003","90","","103.39","0.03","90","","3537.5","1.3","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H33 Co Fe K N3 O18 -","- C28 H33 Co Fe K N3 O18 -","- C112 H132 Co4 Fe4 K4 N12 O72 -","4","1","","Coronado, Eugenio; Galán-Mascarós, José R.; Martí-Gastaldo, Carlos","Design of bimetallic magnetic chains based on oxalate complexes: towards single chain magnets","CrystEngComm","2009","11","10","2143","","10.1039/b910490a","","","0.71073","MoKα","","0.0987","0.0613","","","0.1551","0.1777","","","","","","1.034","","","","has coordinates,has disorder","180345","2020-10-21","18:00:00",""
"7201411","17.2848","0.0006","17.2848","0.0006","19.256","0.0011","90","","90","","120","","4982.2","0.4","120","2","120","2","","","","","","","","7","P -3 1 c","-P 3 2c","163","","","","- C72 H114 Cu3 Mo6 N12 O57 Te -","- C72 H114 Cu3 Mo6 N12 O57 Te -","- C144 H228 Cu6 Mo12 N24 O114 Te2 -","2","0.166667","","Ali, Mahammad; Dutta, Daipayan; Biswas, Surajit; Marek, Jaromir; Jana, Atish Dipankar","The first crystallographic observation of up to the third hydration layer of Cu(II) ion in an unusual ‘water-cation layer’ templated by an Anderson polyoxometallate","CrystEngComm","2009","11","12","2608","","10.1039/b910732k","","","0.71073","MoKα","","0.064","0.0554","","","0.1312","0.1351","","","","","","1.152","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201414","8.5529","0.0002","20.5796","0.0005","11.9813","0.0002","90","","96.594","0.001","90","","2094.94","0.08","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H34 N6 O8 -","- C48 H34 N6 O8 -","- C96 H68 N12 O16 -","2","0.5","","Singh, Devendra; Baruah, Jubaraj B.","Different solvates of two isomeric dicarboxylic acids with pyridine and quinoline","CrystEngComm","2009","11","12","2688","","10.1039/b911084d","","","0.71073","MoKα","","0.0984","0.05","","","0.1291","0.1512","","","","","","1.044","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201415","8.7635","0.0006","11.8723","0.0009","12.1962","0.0014","116.061","0.006","95.775","0.006","107.994","0.004","1041.85","0.18","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H34 N6 O8 -","- C48 H34 N6 O8 -","- C48 H34 N6 O8 -","1","0.5","","Singh, Devendra; Baruah, Jubaraj B.","Different solvates of two isomeric dicarboxylic acids with pyridine and quinoline","CrystEngComm","2009","11","12","2688","","10.1039/b911084d","","","0.71073","MoKα","","0.0855","0.0588","","","0.1627","0.1837","","","","","","1.062","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201416","9.3","0.0003","12.2201","0.0004","12.98","0.0005","97.639","0.002","90.821","0.003","99.932","0.002","1439.09","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C73 H49 N7 O8 -","- C73 H49 N7 O8 -","- C73 H49 N7 O8 -","1","0.5","","Singh, Devendra; Baruah, Jubaraj B.","Different solvates of two isomeric dicarboxylic acids with pyridine and quinoline","CrystEngComm","2009","11","12","2688","","10.1039/b911084d","","","0.71073","MoKα","","0.1123","0.0532","","","0.1289","0.1561","","","","","","1.03","","","","has coordinates,has disorder","180345","2020-10-21","18:00:00",""
"7201417","7.2585","0.0004","8.3289","0.0005","15.4654","0.0009","96.907","0.003","102.363","0.003","97.388","0.003","895.1","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H29 N5 O8 -","- C43 H29 N5 O8 -","- C43 H29 N5 O8 -","1","0.5","","Singh, Devendra; Baruah, Jubaraj B.","Different solvates of two isomeric dicarboxylic acids with pyridine and quinoline","CrystEngComm","2009","11","12","2688","","10.1039/b911084d","","","0.71073","MoKα","","0.0871","0.0517","","","0.1456","0.1697","","","","","","1.066","","","","has coordinates,has disorder","180345","2020-10-21","18:00:00",""
"7201418","16.228","0.003","15.687","0.003","18.544","0.003","90","","108.182","0.009","90","","4485","1.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C55 H35 N5 O8 -","- C55 H35 N5 O8 -","- C220 H140 N20 O32 -","4","1","","Singh, Devendra; Baruah, Jubaraj B.","Different solvates of two isomeric dicarboxylic acids with pyridine and quinoline","CrystEngComm","2009","11","12","2688","","10.1039/b911084d","","","0.71073","MoKα","","0.2006","0.0911","","","0.2657","0.3535","","","","","","1.004","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201419","7.5934","0.0005","9.385","0.0007","15.9125","0.0011","101.006","0.004","98.361","0.004","95.64","0.004","1091.99","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C55 H35 N5 O8 -","- C55 H35 N5 O8 -","- C55 H35 N5 O8 -","1","0.5","","Singh, Devendra; Baruah, Jubaraj B.","Different solvates of two isomeric dicarboxylic acids with pyridine and quinoline","CrystEngComm","2009","11","12","2688","","10.1039/b911084d","","","0.71073","MoKα","","0.0875","0.049","","","0.1131","0.1321","","","","","","1.018","","","","has coordinates,has disorder","180345","2020-10-21","18:00:00",""
"7201420","11.7112","0.0012","13.2845","0.0013","13.5924","0.0014","64.22","0.002","83.998","0.002","67.818","0.002","1758.8","0.3","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H46 La2 N10 O12 -","- C84 H46 La2 N10 O12 -","- C84 H46 La2 N10 O12 -","1","0.5","","Zhou, Jie; Yan, Shaohua; Yuan, Daqiang; Zheng, Xiangjun; Li, Licun; Jin, Linpei","Structural diversity of lanthanide coordination polymers with 2,2′-biquinoline-4,4′-dicarboxylate","CrystEngComm","2009","11","12","2640","","10.1039/b911100j","","","0.71073","MoKα","","0.0326","0.0266","","","0.061","0.0642","","","","","","1.044","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201421","11.6678","0.0018","13.1906","0.0017","13.541","0.002","64.14","0.005","83.693","0.008","67.911","0.006","1734","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H23 N5 O6 Pr -","- C42 H23 N5 O6 Pr -","- C84 H46 N10 O12 Pr2 -","2","1","","Zhou, Jie; Yan, Shaohua; Yuan, Daqiang; Zheng, Xiangjun; Li, Licun; Jin, Linpei","Structural diversity of lanthanide coordination polymers with 2,2′-biquinoline-4,4′-dicarboxylate","CrystEngComm","2009","11","12","2640","","10.1039/b911100j","","","0.7107","MoKα","","0.0399","0.0335","","","0.0639","0.0673","","","","","","1.05","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201422","18.235","0.004","17.42","0.003","28.42","0.009","90","","124.02","0.02","90","","7483","4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C80 H60 Gd4 N8 O28 -","- C80 H60 Gd4 N8 O28 -","- C320 H240 Gd16 N32 O112 -","4","1","","Zhou, Jie; Yan, Shaohua; Yuan, Daqiang; Zheng, Xiangjun; Li, Licun; Jin, Linpei","Structural diversity of lanthanide coordination polymers with 2,2′-biquinoline-4,4′-dicarboxylate","CrystEngComm","2009","11","12","2640","","10.1039/b911100j","","","0.71073","MoKα","","0.0908","0.074","","","0.1232","0.1318","","","","","","1.192","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201423","18.275","0.002","8.778","0.001","23.746","0.003","90","","95.529","0.002","90","","3791.6","0.8","294","2","294","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C40 H30 N4 O14 Tb2 -","- C40 H30 N4 O14 Tb2 -","- C160 H120 N16 O56 Tb8 -","4","1","","Zhou, Jie; Yan, Shaohua; Yuan, Daqiang; Zheng, Xiangjun; Li, Licun; Jin, Linpei","Structural diversity of lanthanide coordination polymers with 2,2′-biquinoline-4,4′-dicarboxylate","CrystEngComm","2009","11","12","2640","","10.1039/b911100j","","","0.71073","MoKα","","0.1008","0.0441","","","0.0782","0.095","","","","","","0.954","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201424","18.145","0.004","8.6821","0.0017","23.527","0.005","90","","95.47","0.03","90","","3689.5","1.4","294","2","294","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C40 H30 N4 O14 Yb2 -","- C40 H30 N4 O14 Yb2 -","- C160 H120 N16 O56 Yb8 -","4","1","","Zhou, Jie; Yan, Shaohua; Yuan, Daqiang; Zheng, Xiangjun; Li, Licun; Jin, Linpei","Structural diversity of lanthanide coordination polymers with 2,2′-biquinoline-4,4′-dicarboxylate","CrystEngComm","2009","11","12","2640","","10.1039/b911100j","","","0.71073","MoKα","","0.0387","0.0369","","","0.0943","0.0962","","","","","","1.116","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201425","7.871","0.0003","13.117","0.0005","14.7856","0.0005","82.907","0.002","78.582","0.002","83.523","0.002","1478.72","0.09","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H22 N3 Na O10 Pr -","- C32 H22 N3 Na O10 Pr -","- C64 H44 N6 Na2 O20 Pr2 -","2","1","","Zhou, Jie; Yan, Shaohua; Yuan, Daqiang; Zheng, Xiangjun; Li, Licun; Jin, Linpei","Structural diversity of lanthanide coordination polymers with 2,2′-biquinoline-4,4′-dicarboxylate","CrystEngComm","2009","11","12","2640","","10.1039/b911100j","","","0.71073","MoKα","","0.0483","0.0472","","","0.123","0.1236","","","","","","1.186","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201426","7.7605","0.0011","13.037","0.002","14.738","0.002","82.568","0.008","78.735","0.01","83.762","0.01","1444.7","0.4","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H22 N3 Na Nd O10 -","- C32 H22 N3 Na Nd O10 -","- C64 H44 N6 Na2 Nd2 O20 -","2","1","","Zhou, Jie; Yan, Shaohua; Yuan, Daqiang; Zheng, Xiangjun; Li, Licun; Jin, Linpei","Structural diversity of lanthanide coordination polymers with 2,2′-biquinoline-4,4′-dicarboxylate","CrystEngComm","2009","11","12","2640","","10.1039/b911100j","","","0.7107","MoKα","","0.0336","0.0303","","","0.0918","0.0928","","","","","","1.274","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201427","7.779","0.0001","12.9907","0.0002","14.6997","0.0002","83.551","0.001","79.421","0.001","82.953","0.001","1443.04","0.04","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H22 N3 Na O10 Y -","- C32 H22 N3 Na O10 Y -","- C64 H44 N6 Na2 O20 Y2 -","2","1","","Zhou, Jie; Yan, Shaohua; Yuan, Daqiang; Zheng, Xiangjun; Li, Licun; Jin, Linpei","Structural diversity of lanthanide coordination polymers with 2,2′-biquinoline-4,4′-dicarboxylate","CrystEngComm","2009","11","12","2640","","10.1039/b911100j","","","0.71073","MoKα","","0.0383","0.031","","","0.0714","0.0745","","","","","","1.019","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201428","8.291","0.0006","15.3993","0.0012","28.362","0.003","90","","91.027","0.006","90","","3620.6","0.5","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H39 Fe N10 O11.5 -","- C31 H39 Fe N10 O11.5 -","- C124 H156 Fe4 N40 O46 -","4","1","","Coronado, Eugenio; Giménez-López, M. Carmen; Giménez-Saiz, Carlos; Romero, Francisco M.","Spin crossover complexes as building units of hydrogen-bonded nanoporous structures","CrystEngComm","2009","11","10","2198","","10.1039/b911137a","","","0.71073","MoKα","","0.1354","0.0482","","","0.0673","0.0779","","","","","","0.729","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201429","5.567","0.0007","8.5723","0.001","8.8394","0.0011","71.139","0.002","73.078","0.002","86.534","0.002","381.64","0.08","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H10 Cl4 N2 O2 U -","- C10 H10 Cl4 N2 O2 U -","- C10 H10 Cl4 N2 O2 U -","1","0.5","","Deifel, Nicholas P.; Cahill, Christopher L.","The uranyl tetrachloride anion as a tecton in the assembly of U(VI) hybrid materials","CrystEngComm","2009","11","12","2739","","10.1039/b911470j","","","0.71073","MoKα","","0.026","0.026","","","0.0665","0.0665","","","","","","1.018","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201430","7.0295","0.0002","8.2438","0.0002","8.7676","0.0002","82.81","","70.63","","66.07","","438.094","0.019","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H14 Cl4 N2 O2 U -","- C12 H14 Cl4 N2 O2 U -","- C12 H14 Cl4 N2 O2 U -","1","0.5","","Deifel, Nicholas P.; Cahill, Christopher L.","The uranyl tetrachloride anion as a tecton in the assembly of U(VI) hybrid materials","CrystEngComm","2009","11","12","2739","","10.1039/b911470j","","","0.71073","MoKα","","0.0184","0.0183","","","0.0437","0.0437","","","","","","0.904","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201431","7","0.0002","8.1759","0.0002","8.4438","0.0002","81.59","","73.86","","66.8","","426.295","0.019","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H12 Cl4 N2 O2 U -","- C12 H12 Cl4 N2 O2 U -","- C12 H12 Cl4 N2 O2 U -","1","0.5","","Deifel, Nicholas P.; Cahill, Christopher L.","The uranyl tetrachloride anion as a tecton in the assembly of U(VI) hybrid materials","CrystEngComm","2009","11","12","2739","","10.1039/b911470j","","","0.71073","MoKα","","0.0142","0.0142","","","0.0343","0.0343","","","","","","0.997","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201432","8.0673","0.0003","8.6337","0.0003","9.2526","0.0003","67.99","0.001","71.985","0.001","77.572","0.001","564.57","0.03","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H16 Cl4 N2 O6 U -","- C16 H16 Cl4 N2 O6 U -","- C16 H16 Cl4 N2 O6 U -","1","0.5","","Deifel, Nicholas P.; Cahill, Christopher L.","The uranyl tetrachloride anion as a tecton in the assembly of U(VI) hybrid materials","CrystEngComm","2009","11","12","2739","","10.1039/b911470j","","","0.71073","MoKα","","0.0214","0.0212","","","0.0448","0.0449","","","","","","1.018","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201433","12.837","0.0003","11.6971","0.0003","12.374","0.0003","90","","102.24","","90","","1815.79","0.08","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H16 Cl4 N2 O2 U -","- C13 H16 Cl4 N2 O2 U -","- C52 H64 Cl16 N8 O8 U4 -","4","0.5","","Deifel, Nicholas P.; Cahill, Christopher L.","The uranyl tetrachloride anion as a tecton in the assembly of U(VI) hybrid materials","CrystEngComm","2009","11","12","2739","","10.1039/b911470j","","","0.71073","MoKα","","0.028","0.0167","","","0.0361","0.0402","","","","","","1.023","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201434","7.129","0.0004","9.9708","0.0005","11.4392","0.0006","71.309","0.001","72.594","0.001","77.249","0.001","727.92","0.07","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H26 Cl6 N6 O4 U -","- C20 H22 Cl6 N6 O4 U -","- C20 H22 Cl6 N6 O4 U -","1","0.5","","Deifel, Nicholas P.; Cahill, Christopher L.","The uranyl tetrachloride anion as a tecton in the assembly of U(VI) hybrid materials","CrystEngComm","2009","11","12","2739","","10.1039/b911470j","","","0.71073","MoKα","","0.0155","0.0155","","","0.042","0.042","","","","","","1.077","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201435","7.023","0.0002","15.412","0.0004","13.4514","0.0003","90","","102.76","","90","","1420","0.06","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 Cl6 N4 O4 U -","- C20 H20 Cl6 N4 O4 U -","- C40 H40 Cl12 N8 O8 U2 -","2","0.5","","Deifel, Nicholas P.; Cahill, Christopher L.","The uranyl tetrachloride anion as a tecton in the assembly of U(VI) hybrid materials","CrystEngComm","2009","11","12","2739","","10.1039/b911470j","","","0.71073","MoKα","","0.0263","0.019","","","0.0472","0.0508","","","","","","0.962","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201436","16.962","0.003","7.9204","0.0016","25.187","0.005","90","","105.45","0.03","90","","3261.5","1.2","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C41 H30 N2 O8 -","- C41 H30 N2 O8 -","- C164 H120 N8 O32 -","4","0.5","","Men, Yong-Biao; Sun, Junliang; Huang, Zhi-Tang; Zheng, Qi-Yu","Construction of 3-fold interpenetrated pcu organic frameworks from methanetetrabenzoic acid with zigzag bipyridines","CrystEngComm","2009","11","11","2277","","10.1039/b911506d","","","0.71073","MoKα","","0.0579","0.0519","","","0.1275","0.1315","","","","","","1.096","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201437","17.02","0.003","7.9746","0.0016","24.621","0.005","90","","104.15","0.03","90","","3240.4","1.2","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C39 H28 N4 O8 -","- C39 H28 N4 O8 -","- C156 H112 N16 O32 -","4","0.5","","Men, Yong-Biao; Sun, Junliang; Huang, Zhi-Tang; Zheng, Qi-Yu","Construction of 3-fold interpenetrated pcu organic frameworks from methanetetrabenzoic acid with zigzag bipyridines","CrystEngComm","2009","11","11","2277","","10.1039/b911506d","","","0.71073","MoKα","","0.0998","0.0714","","","0.1356","0.1464","","","","","","1.175","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201441","26.02","0.006","7.128","0.002","11.941","0.006","90","","100.79","0.02","90","","2175.5","1.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H10 Br N5 O -","- C9 H10 Br N5 O -","- C72 H80 Br8 N40 O8 -","8","1","","Lee, Kwang-Ming; Chen, Jack C. C.; Huang, Chao-June; Lin, Ivan J. B.","Anion-controlled assemble of C‒H⋯X hydrogen bonded helical tubes or catemers by crescent imidazolium salts","CrystEngComm","2009","11","12","2804","","10.1039/b911665f","","","0.71073","MoKα","","0.0476","0.04","","","0.1044","0.1096","","","","","","1.103","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201442","12.9852","0.0016","24.937","0.002","8.9006","0.0012","90","","104.745","0.016","90","","2787.2","0.6","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 F6 N5 O P -","- C9 H10 F6 N5 O P -","- C72 H80 F48 N40 O8 P8 -","8","2","","Lee, Kwang-Ming; Chen, Jack C. C.; Huang, Chao-June; Lin, Ivan J. B.","Anion-controlled assemble of C‒H⋯X hydrogen bonded helical tubes or catemers by crescent imidazolium salts","CrystEngComm","2009","11","12","2804","","10.1039/b911665f","","","0.71073","MoKα","","0.0609","0.0432","","","0.1078","0.1181","","","","","","1.032","","","","has coordinates,has disorder","180345","2020-10-21","18:00:00",""
"7201443","13.887","0.0004","7.1595","0.0002","11.3891","0.0004","90","","99.505","0.001","90","","1116.8","0.06","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 N6 O4 -","- C9 H10 N6 O4 -","- C36 H40 N24 O16 -","4","1","","Lee, Kwang-Ming; Chen, Jack C. C.; Huang, Chao-June; Lin, Ivan J. B.","Anion-controlled assemble of C‒H⋯X hydrogen bonded helical tubes or catemers by crescent imidazolium salts","CrystEngComm","2009","11","12","2804","","10.1039/b911665f","","","0.71073","MoKα","","0.0435","0.0375","","","0.1061","0.1114","","","","","","1.058","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201444","15.0019","0.0017","5.3086","0.0006","15.7979","0.0017","90","","112.159","0.002","90","","1165.2","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 B F4 N5 O -","- C9 H10 B F4 N5 O -","- C36 H40 B4 F16 N20 O4 -","4","1","","Lee, Kwang-Ming; Chen, Jack C. C.; Huang, Chao-June; Lin, Ivan J. B.","Anion-controlled assemble of C‒H⋯X hydrogen bonded helical tubes or catemers by crescent imidazolium salts","CrystEngComm","2009","11","12","2804","","10.1039/b911665f","","","0.71073","MoKα","","0.06","0.0433","","","0.0943","0.1008","","","","","","0.976","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201445","32.418","0.003","9.5238","0.0008","15.9371","0.0016","90","","118.442","0.005","90","","4326.6","0.7","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H17 N6 Ni O2 S2 -","- C22 H17 N6 Ni O2 S2 -","- C176 H136 N48 Ni8 O16 S16 -","8","1","","Sekiya, Ryo; Nishikiori, Shin-ichi; Kuroda, Reiko","Combination between metal–ligand coordination and hydrogen bond interaction: a facile route for the construction of 3D coordination networks with the ability to include relatively large aromatic molecules","CrystEngComm","2009","11","11","2251","","10.1039/b911849g","","x-ray","0.71069","MoKα","","0.1617","0.0592","","","0.0997","0.14","","","","","","0.846","","","","has coordinates","282882","2023-04-27","15:29:06",""
"7201446","7.9523","0.0006","10.9632","0.0006","16.9567","0.001","90.564","0.004","65.422","0.003","56.997","0.009","1071.9","0.2","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H16 N6 Ni O3 S2 -","- C21 H16 N6 Ni O3 S2 -","- C42 H32 N12 Ni2 O6 S4 -","2","1","","Sekiya, Ryo; Nishikiori, Shin-ichi; Kuroda, Reiko","Combination between metal–ligand coordination and hydrogen bond interaction: a facile route for the construction of 3D coordination networks with the ability to include relatively large aromatic molecules","CrystEngComm","2009","11","11","2251","","10.1039/b911849g","","x-ray","0.71069","MoKα","","0.0782","0.043","","","0.1096","0.1336","","","","","","1.046","","","","has coordinates","282882","2023-04-27","15:29:06",""
"7201449","9.2844","0.0011","20.105","0.002","7.6606","0.0009","90","","100.057","0.002","90","","1408","0.3","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 N6 O12 Zn2 -","- C28 H24 N6 O12 Zn2 -","- C56 H48 N12 O24 Zn4 -","2","0.5","","Yang, Ai-Hong; Quan, Ying-Ping; Gao, Hong-Ling; Fang, Su-Rong; Zhang, Yan-Ping; Zhao, Li-Hua; Cui, Jian-Zhong; Wang, Jian-Hui; Shi, Wei; Cheng, Peng","ds-Block metal ions catalyzed decarboxylation of pyrazine-2,3,5,6-tetracarboxylic acid and the complexes obtained from hydrothermal reactions and novel water clusters","CrystEngComm","2009","11","12","2719","","10.1039/b911939f","","","0.71073","MoKα","","0.0351","0.0285","","","0.0714","0.0747","","","","","","1.061","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201450","11.182","0.002","12.088","0.002","13.495","0.003","97.61","0.03","97.61","0.03","116.83","0.03","1574.8","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H26 Cu2 N6 O13 -","- C28 H26 Cu2 N6 O13 -","- C56 H52 Cu4 N12 O26 -","2","1","","Yang, Ai-Hong; Quan, Ying-Ping; Gao, Hong-Ling; Fang, Su-Rong; Zhang, Yan-Ping; Zhao, Li-Hua; Cui, Jian-Zhong; Wang, Jian-Hui; Shi, Wei; Cheng, Peng","ds-Block metal ions catalyzed decarboxylation of pyrazine-2,3,5,6-tetracarboxylic acid and the complexes obtained from hydrothermal reactions and novel water clusters","CrystEngComm","2009","11","12","2719","","10.1039/b911939f","","","0.71073","MoKα","","0.1342","0.0722","","","0.1138","0.1331","","","","","","1.046","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201451","10.951","0.002","19.019","0.004","26.714","0.005","90","","90","","90","","5563.9","1.9","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H28 N5 O10 Zn -","- C28 H28 N5 O10 Zn -","- C224 H224 N40 O80 Zn8 -","8","1","","Yang, Ai-Hong; Quan, Ying-Ping; Gao, Hong-Ling; Fang, Su-Rong; Zhang, Yan-Ping; Zhao, Li-Hua; Cui, Jian-Zhong; Wang, Jian-Hui; Shi, Wei; Cheng, Peng","ds-Block metal ions catalyzed decarboxylation of pyrazine-2,3,5,6-tetracarboxylic acid and the complexes obtained from hydrothermal reactions and novel water clusters","CrystEngComm","2009","11","12","2719","","10.1039/b911939f","","","0.71073","MoKα","","0.0671","0.0541","","","0.1221","0.129","","","","","","1.129","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201452","10.328","0.002","26.647","0.005","10.672","0.002","90","","107.89","0.03","90","","2795","1","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H27 N6 O10 Zn -","- C27 H27 N6 O10 Zn -","- C108 H108 N24 O40 Zn4 -","4","1","","Yang, Ai-Hong; Quan, Ying-Ping; Gao, Hong-Ling; Fang, Su-Rong; Zhang, Yan-Ping; Zhao, Li-Hua; Cui, Jian-Zhong; Wang, Jian-Hui; Shi, Wei; Cheng, Peng","ds-Block metal ions catalyzed decarboxylation of pyrazine-2,3,5,6-tetracarboxylic acid and the complexes obtained from hydrothermal reactions and novel water clusters","CrystEngComm","2009","11","12","2719","","10.1039/b911939f","","","0.71073","MoKα","","0.0899","0.0732","","","0.1715","0.1821","","","","","","1.116","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201453","10.3969","0.0019","26.575","0.005","10.705","0.002","90","","108.183","0.003","90","","2810.1","0.9","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H27 Cu N6 O10 -","- C27 H27 Cu N6 O10 -","- C108 H108 Cu4 N24 O40 -","4","1","","Yang, Ai-Hong; Quan, Ying-Ping; Gao, Hong-Ling; Fang, Su-Rong; Zhang, Yan-Ping; Zhao, Li-Hua; Cui, Jian-Zhong; Wang, Jian-Hui; Shi, Wei; Cheng, Peng","ds-Block metal ions catalyzed decarboxylation of pyrazine-2,3,5,6-tetracarboxylic acid and the complexes obtained from hydrothermal reactions and novel water clusters","CrystEngComm","2009","11","12","2719","","10.1039/b911939f","","","0.71073","MoKα","","0.1134","0.0541","","","0.1207","0.1451","","","","","","1.004","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201454","7.0457","0.0014","18.245","0.004","12.884","0.003","90","","98.89","0.03","90","","1636.3","0.6","113","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 Cu2 N8 O18 -","- C28 H26 Cu2 N8 O18 -","- C56 H52 Cu4 N16 O36 -","2","0.5","","Yang, Ai-Hong; Quan, Ying-Ping; Gao, Hong-Ling; Fang, Su-Rong; Zhang, Yan-Ping; Zhao, Li-Hua; Cui, Jian-Zhong; Wang, Jian-Hui; Shi, Wei; Cheng, Peng","ds-Block metal ions catalyzed decarboxylation of pyrazine-2,3,5,6-tetracarboxylic acid and the complexes obtained from hydrothermal reactions and novel water clusters","CrystEngComm","2009","11","12","2719","","10.1039/b911939f","","","0.71073","MoKα","","0.0705","0.054","","","0.1057","0.1129","","","","","","1.089","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201455","7.7443","0.0015","10.237","0.002","11.806","0.002","104.08","0.03","102.11","0.03","93.61","0.03","881.2","0.3","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H14 Cd N4 O6 -","- C18 H14 Cd N4 O6 -","- C36 H28 Cd2 N8 O12 -","2","1","","Yang, Ai-Hong; Quan, Ying-Ping; Gao, Hong-Ling; Fang, Su-Rong; Zhang, Yan-Ping; Zhao, Li-Hua; Cui, Jian-Zhong; Wang, Jian-Hui; Shi, Wei; Cheng, Peng","ds-Block metal ions catalyzed decarboxylation of pyrazine-2,3,5,6-tetracarboxylic acid and the complexes obtained from hydrothermal reactions and novel water clusters","CrystEngComm","2009","11","12","2719","","10.1039/b911939f","","","0.71073","MoKα","","0.043","0.0339","","","0.0935","0.1383","","","","","","1.116","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201456","7.3378","0.0015","10.694","0.002","11.744","0.002","114.24","0.03","103.29","0.03","93.4","0.03","805.4","0.4","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 Cd N4 O6 -","- C16 H14 Cd N4 O6 -","- C32 H28 Cd2 N8 O12 -","2","1","","Yang, Ai-Hong; Quan, Ying-Ping; Gao, Hong-Ling; Fang, Su-Rong; Zhang, Yan-Ping; Zhao, Li-Hua; Cui, Jian-Zhong; Wang, Jian-Hui; Shi, Wei; Cheng, Peng","ds-Block metal ions catalyzed decarboxylation of pyrazine-2,3,5,6-tetracarboxylic acid and the complexes obtained from hydrothermal reactions and novel water clusters","CrystEngComm","2009","11","12","2719","","10.1039/b911939f","","","0.71073","MoKα","","0.0223","0.0204","","","0.0529","0.0535","","","","","","1.025","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201457","15.679","0.004","12.699","0.003","8.932","0.002","90","","90","","90","","1778.4","0.7","150","","150","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C9 H21 Cu2 N9 O8 -","- C9 H21 Cu2 N9 O8 -","- C36 H84 Cu8 N36 O32 -","4","0.5","","Moggach, Stephen A.; Galloway, Kyle W.; Lennie, Alistair R.; Parois, Pascal; Rowantree, Niall; Brechin, Euan K.; Warren, John E.; Murrie, Mark; Parsons, Simon","Polymerisation of a Cu(II) dimer into 1D chains using high pressure","CrystEngComm","2009","11","12","2601","","10.1039/b912707k","","","0.71073","MoKα","","0.0685","0.0582","","0.124","0.1215","0.124","","","","","","0.9563","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201458","15.6012","0.0009","12.5198","0.0003","8.8557","0.0002","90","","90","","90","","1729.73","0.11","293","","293","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C9 H21 Cu2 N9 O8 -","- C9 H21 Cu2 N9 O8 -","- C36 H84 Cu8 N36 O32 -","4","0.5","","Moggach, Stephen A.; Galloway, Kyle W.; Lennie, Alistair R.; Parois, Pascal; Rowantree, Niall; Brechin, Euan K.; Warren, John E.; Murrie, Mark; Parsons, Simon","Polymerisation of a Cu(II) dimer into 1D chains using high pressure","CrystEngComm","2009","11","12","2601","","10.1039/b912707k","","","0.4767","Synchrotron","","0.0454","0.0305","","0.0446","0.0436","0.0446","","","","","","1.4785","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201459","15.4344","0.0018","12.3617","0.0006","8.7439","0.0004","90","","90","","90","","1668.3","0.2","293","","293","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C9 H21 Cu2 N9 O8 -","- C9 H21 Cu2 N9 O8 -","- C36 H84 Cu8 N36 O32 -","4","0.5","","Moggach, Stephen A.; Galloway, Kyle W.; Lennie, Alistair R.; Parois, Pascal; Rowantree, Niall; Brechin, Euan K.; Warren, John E.; Murrie, Mark; Parsons, Simon","Polymerisation of a Cu(II) dimer into 1D chains using high pressure","CrystEngComm","2009","11","12","2601","","10.1039/b912707k","","","0.4767","Synchrotron","","0.0453","0.0307","","0.0448","0.0438","0.0448","","","","","","1.5406","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201460","15.0833","0.0011","12.1396","0.0003","8.7075","0.0003","90","","90","","90","","1594.39","0.13","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H21 Cu2 N9 O8 -","- C9 H21 Cu2 N9 O8 -","- C36 H84 Cu8 N36 O32 -","4","1","","Moggach, Stephen A.; Galloway, Kyle W.; Lennie, Alistair R.; Parois, Pascal; Rowantree, Niall; Brechin, Euan K.; Warren, John E.; Murrie, Mark; Parsons, Simon","Polymerisation of a Cu(II) dimer into 1D chains using high pressure","CrystEngComm","2009","11","12","2601","","10.1039/b912707k","","","0.4767","Synchrotron","","0.0876","0.0751","","0.092","0.091","0.092","","","","","","1.0004","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201461","16.3031","0.0013","11.9204","0.0005","17.133","0.0008","90","","114.469","0.005","90","","3030.6","0.3","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H42 Cu4 N18 O16 -","- C18 H42 Cu4 N18 O16 -","- C72 H168 Cu16 N72 O64 -","4","1","","Moggach, Stephen A.; Galloway, Kyle W.; Lennie, Alistair R.; Parois, Pascal; Rowantree, Niall; Brechin, Euan K.; Warren, John E.; Murrie, Mark; Parsons, Simon","Polymerisation of a Cu(II) dimer into 1D chains using high pressure","CrystEngComm","2009","11","12","2601","","10.1039/b912707k","","","0.4767","Synchrotron","","0.1113","0.0722","","0.0772","0.0735","0.0772","","","","","","0.9864","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201462","8.5563","0.0011","11.8407","0.0015","16.475","0.002","90","","98.639","0.002","90","","1650.2","0.4","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H8 S6 -","- C16 H8 S6 -","- C64 H32 S24 -","4","1","","Lu, Kun; Liu, Yunqi; Di, Chong-an; Du, Chunyan; Ye, Shanghui; Wu, Ti; Liu, Hongtao; Xu, Xudong; Yu, Gui","Unusual tubular organization with crystal stacks from a new cyclic thiophene compound,","CrystEngComm","2009","11","11","2288","","10.1039/b913254f","","","0.71073","MoKα","","0.0427","0.0294","","","0.0708","0.0783","","","","","","1.032","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201464","28.665","0.003","5.402","0.007","10.882","0.006","90","","90","","90","","1685","2","293","2","293","2","","","","","","","","5","P m c n","-P 2n 2a","62","","","","- C14 H12 Ag N3 O9 -","- C14 H10 Ag N3 O9 -","- C56 H40 Ag4 N12 O36 -","4","0.5","","Braga, Dario; Grepioni, Fabrizia; André, Vânia; Duarte, M. Teresa","Drug-containing coordination and hydrogen bonding networks obtained mechanochemically","CrystEngComm","2009","11","12","2618","","10.1039/b913433f","","","0.71073","MoKα","","0.2363","0.0697","","","0.0714","0.0972","","","","","","0.864","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201465","7.58","0.005","7.627","0.005","17.111","0.005","92.062","0.005","97.578","0.005","118.434","0.005","856.7","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 Ag2 N6 O20 -","- C28 H20 Ag2 N6 O20 -","- C28 H20 Ag2 N6 O20 -","1","0.5","","Braga, Dario; Grepioni, Fabrizia; André, Vânia; Duarte, M. Teresa","Drug-containing coordination and hydrogen bonding networks obtained mechanochemically","CrystEngComm","2009","11","12","2618","","10.1039/b913433f","","","0.71073","MoKα","","0.3692","0.0569","","","0.0649","0.1149","","","","","","0.633","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201466","9.6316","0.0007","7.3983","0.0005","15.873","0.0014","90","","113.769","0.006","90","","1035.13","0.15","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H28 Cl2 N4 Ni O8 -","- C12 H28 Cl2 N4 Ni O8 -","- C24 H56 Cl4 N8 Ni2 O16 -","2","0.5","","Braga, Dario; Grepioni, Fabrizia; André, Vânia; Duarte, M. Teresa","Drug-containing coordination and hydrogen bonding networks obtained mechanochemically","CrystEngComm","2009","11","12","2618","","10.1039/b913433f","","","0.71073","MoKα","","0.1543","0.0695","","","0.1879","0.2429","","","","","","0.728","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201468","16.7937","0.0006","37.6395","0.0014","16.0278","0.0006","90","","90","","90","","10131.3","0.6","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C30 H26 N2 O4 Zn -","- C30 H26 N2 O4 Zn -","- C480 H416 N32 O64 Zn16 -","16","1","","Guo, Huadong; Qiu, Dongfang; Guo, Xianmin; Batten, Stuart R.; Zhang, Hongjie","An unusual 3D polycatenane motif generated by the 2D →2D parallel →3D parallel interpenetration of (4,4) sheets","CrystEngComm","2009","11","12","2611","","10.1039/b913747e","","","0.71073","MoKα","","0.0422","0.0332","","","0.0719","0.0756","","","","","","0.981","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201471","15.442","0.003","13.224","0.003","23.711","0.005","90","","107.445","0.002","90","","4619.2","1.7","294","2","294","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H36 Mn2 N6 O8 S5 -","- C48 H36 Mn2 N6 O8 S5 -","- C192 H144 Mn8 N24 O32 S20 -","4","0.5","","Ma, Lu-Fang; Wang, Li-Ya; Du, Miao","A novel 3D Mn(II) coordination polymer involving 4,4′-dipyridylsulfide and 4,4′-dipyridyltrisulfide obtained by in situ ligand formation from 4,4′-dipyridyldisulfide","CrystEngComm","2009","11","12","2593","","10.1039/b914827m","","","0.71073","MoKα","","0.0606","0.054","","","0.149","0.155","","","","","","1.055","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201478","9.7404","0.0004","12.4073","0.0006","16.2808","0.0008","93.956","0.001","103.214","0.001","97.771","0.001","1887.68","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H32 N4 O9 Zn2 -","- C42 H32 N4 O9 Zn2 -","- C84 H64 N8 O18 Zn4 -","2","1","","Liu, Guang-Xiang; Zhu, Kun; Xu, Huan-Min; Nishihara, Sadafumi; Huang, Rong-Yi; Ren, Xiao-Ming","Construction of hybrid d10 metal‒organic frameworks by flexible aromatic dicarboxylate and N-donor ligands : syntheses, structures and physical properties","CrystEngComm","2009","11","12","2784","","10.1039/b916280c","","","0.71073","MoKα","","0.053","0.0379","","","0.1001","0.1073","","","","","","1.086","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201479","12.2627","0.0001","12.2627","0.0001","43.0285","0.0009","90","","90","","120","","5603.5","0.13","293","2","293","2","","","","","","","","5","P 61","P 61","169","","","","- C42 H30 Cd2 N4 O8 -","- C42 H30 Cd2 N4 O8 -","- C252 H180 Cd12 N24 O48 -","6","1","","Liu, Guang-Xiang; Zhu, Kun; Xu, Huan-Min; Nishihara, Sadafumi; Huang, Rong-Yi; Ren, Xiao-Ming","Construction of hybrid d10 metal‒organic frameworks by flexible aromatic dicarboxylate and N-donor ligands : syntheses, structures and physical properties","CrystEngComm","2009","11","12","2784","","10.1039/b916280c","","","0.71073","MoKα","","0.0498","0.0355","","","0.0516","0.0551","","","","","","1.04","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201480","11.9785","0.0008","12.6636","0.0008","13.6303","0.0009","72.639","0.001","86.584","0.001","70.36","0.001","1856.7","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H30 Cd N4 O8 Zn -","- C42 H30 Cd N4 O8 Zn -","- C84 H60 Cd2 N8 O16 Zn2 -","2","1","","Liu, Guang-Xiang; Zhu, Kun; Xu, Huan-Min; Nishihara, Sadafumi; Huang, Rong-Yi; Ren, Xiao-Ming","Construction of hybrid d10 metal‒organic frameworks by flexible aromatic dicarboxylate and N-donor ligands : syntheses, structures and physical properties","CrystEngComm","2009","11","12","2784","","10.1039/b916280c","","","0.71073","MoKα","","0.05","0.0342","","","0.0714","0.0763","","","","","","1.054","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201481","5.9273","0.0012","26.321","0.005","17.508","0.004","90","","96.428","0.003","90","","2714.3","1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 Cd N4 O8 S -","- C28 H26 Cd N4 O8 S -","- C112 H104 Cd4 N16 O32 S4 -","4","1","","Liu, Guang-Xiang; Zhu, Kun; Xu, Huan-Min; Nishihara, Sadafumi; Huang, Rong-Yi; Ren, Xiao-Ming","Construction of hybrid d10 metal‒organic frameworks by flexible aromatic dicarboxylate and N-donor ligands : syntheses, structures and physical properties","CrystEngComm","2009","11","12","2784","","10.1039/b916280c","","","0.71073","MoKα","","0.0404","0.0291","","","0.057","0.0595","","","","","","1.049","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201482","6.1615","0.0005","16.4514","0.0013","15.1503","0.0012","90","","99.433","0.001","90","","1514.9","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H26 Cd N4 O6 S -","- C34 H26 Cd N4 O6 S -","- C68 H52 Cd2 N8 O12 S2 -","2","1","","Liu, Guang-Xiang; Zhu, Kun; Xu, Huan-Min; Nishihara, Sadafumi; Huang, Rong-Yi; Ren, Xiao-Ming","Construction of hybrid d10 metal‒organic frameworks by flexible aromatic dicarboxylate and N-donor ligands : syntheses, structures and physical properties","CrystEngComm","2009","11","12","2784","","10.1039/b916280c","","","0.71073","MoKα","","0.0299","0.0266","","","0.0634","0.0655","","","","","","1.004","","","","has coordinates,has disorder","180345","2020-10-21","18:00:00",""
"7201483","19.353","0.0014","9.9584","0.0007","21.0315","0.0015","90","","101.076","0.001","90","","3977.8","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H16 Cd N O8 S -","- C19 H16 Cd N O8 S -","- C152 H128 Cd8 N8 O64 S8 -","8","1","","Liu, Guang-Xiang; Zhu, Kun; Xu, Huan-Min; Nishihara, Sadafumi; Huang, Rong-Yi; Ren, Xiao-Ming","Construction of hybrid d10 metal‒organic frameworks by flexible aromatic dicarboxylate and N-donor ligands : syntheses, structures and physical properties","CrystEngComm","2009","11","12","2784","","10.1039/b916280c","","","0.71073","MoKα","","0.0238","0.0213","","","0.0538","0.0549","","","","","","1.046","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201486","24.3284","","24.3005","","10.0656","","90.0089","","89.9894","","119.734","","5167.23","","","","","","","","","","","","","4","P 1","P 1","1","","","","?","- C72 H72 N48 Zn12 -","- C72 H72 N48 Zn12 -","","","","Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua","An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding","CrystEngComm","2009","11","11","2268","","10.1039/b910263a","","","","","","","","","","","","","","","","","","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201487","33.4703","","33.4703","","33.4703","","60","","60","","60","","26513.3","","","","","","","","","","","","","4","P 1","P 1","1","","","","?","- C288 H288 N192 Zn48 -","- C288 H288 N192 Zn48 -","","","","Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua","An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding","CrystEngComm","2009","11","11","2268","","10.1039/b910263a","","","","","","","","","","","","","","","","","","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201488","24.4663","","24.3965","","24.5397","","79.9602","","110.673","","144.948","","7689.44","","","","","","","","","","","","","4","P 1","P 1","1","","","","?","- C108 H108 N72 Zn18 -","- C108 H108 N72 Zn18 -","","","","Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua","An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding","CrystEngComm","2009","11","11","2268","","10.1039/b910263a","","","","","","","","","","","","","","","","","","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201489","34.9595","","34.9595","","14.5821","","90","","90","","120","","15434.1","","","","","","","","","","","","","4","P 1","P 1","1","","","","?","- C216 H216 N144 Zn36 -","- C216 H216 N144 Zn36 -","","","","Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua","An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding","CrystEngComm","2009","11","11","2268","","10.1039/b910263a","","","","","","","","","","","","","","","","","","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201490","21.6837","","21.7123","","21.6859","","101.82","","101.84","","126.45","","7312.73","","","","","","","","","","","","","4","P 1","P 1","1","","","","?","- C96 H96 N64 Zn16 -","- C96 H96 N64 Zn16 -","","","","Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua","An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding","CrystEngComm","2009","11","11","2268","","10.1039/b910263a","","","","","","","","","","","","","","","","","","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201491","9.9949","","15.3976","","15.18","","89.9998","","98.5469","","90.0003","","2310.22","","","","","","","","","","","","","4","P 1","P 1","1","","","","?","- C48 H48 N32 Zn8 -","- C48 H48 N32 Zn8 -","","","","Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua","An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding","CrystEngComm","2009","11","11","2268","","10.1039/b910263a","","","","","","","","","","","","","","","","","","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201492","32.1539","","32.1539","","32.1539","","60","","60","","60","","23506.4","","","","","","","","","","","","","4","P 1","P 1","1","","","","?","- C288 H288 N192 Zn48 -","- C288 H288 N192 Zn48 -","","","","Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua","An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding","CrystEngComm","2009","11","11","2268","","10.1039/b910263a","","","","","","","","","","","","","","","","","","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201493","9.6719","","24.1597","","24.3574","","89.9981","","90.0017","","90.0142","","5691.6","","","","","","","","","","","","","4","P 1","P 1","1","","","","?","- C96 H96 N64 Zn16 -","- C96 H96 N64 Zn16 -","","","","Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua","An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding","CrystEngComm","2009","11","11","2268","","10.1039/b910263a","","","","","","","","","","","","","","","","","","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201494","18.9633","","18.9628","","16.7727","","89.9997","","90","","89.9996","","6031.42","","","","","","","","","","","","","4","P 1","P 1","1","","","","?","- C96 H96 N64 Zn16 -","- C96 H96 N64 Zn16 -","","","","Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua","An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding","CrystEngComm","2009","11","11","2268","","10.1039/b910263a","","","","","","","","","","","","","","","","","","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201495","15.4231","","15.4042","","18.4379","","90.0004","","90.0018","","90.0007","","4380.49","","","","","","","","","","","","","4","P 1","P 1","1","","","","?","- C96 H96 N64 Zn16 -","- C96 H96 N64 Zn16 -","","","","Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua","An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding","CrystEngComm","2009","11","11","2268","","10.1039/b910263a","","","","","","","","","","","","","","","","","","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201496","16.8046","","16.7764","","16.8139","","112.854","","112.824","","103.417","","3594.27","","","","","","","","","","","","","4","P 1","P 1","1","","","","?","- C48 H48 N32 Zn8 -","- C48 H48 N32 Zn8 -","","","","Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua","An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding","CrystEngComm","2009","11","11","2268","","10.1039/b910263a","","","","","","","","","","","","","","","","","","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201497","14.2311","","14.3093","","14.2833","","107.216","","106.405","","107.155","","2427.12","","","","","","","","","","","","","4","P 1","P 1","1","","","","?","- C36 H36 N24 Zn6 -","- C36 H36 N24 Zn6 -","","","","Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua","An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding","CrystEngComm","2009","11","11","2268","","10.1039/b910263a","","","","","","","","","","","","","","","","","","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201498","14.7363","","14.7801","","14.764","","109.61","","109.469","","109.356","","2474.73","","","","","","","","","","","","","4","P 1","P 1","1","","","","?","- C36 H36 N24 Zn6 -","- C36 H36 N24 Zn6 -","","","","Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua","An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding","CrystEngComm","2009","11","11","2268","","10.1039/b910263a","","","","","","","","","","","","","","","","","","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201499","22.9134","","22.9102","","15.882","","90.1202","","90.0148","","119.949","","7223.99","","","","","","","","","","","","","4","P 1","P 1","1","","","","?","- C108 H108 N72 Zn18 -","- C108 H108 N72 Zn18 -","","","","Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua","An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding","CrystEngComm","2009","11","11","2268","","10.1039/b910263a","","","","","","","","","","","","","","","","","","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201500","17.9844","","17.9841","","18.0545","","97.2362","","97.2326","","138.559","","3611.7","","","","","","","","","","","","","4","P 1","P 1","1","","","","?","- C96 H96 N64 Zn16 -","- C96 H96 N64 Zn16 -","","","","Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua","An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding","CrystEngComm","2009","11","11","2268","","10.1039/b910263a","","","","","","","","","","","","","","","","","","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201501","24.89","0.02","8.368","0.008","22.23","0.02","90","","115.566","0.016","90","","4177","6","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H40 Co N6 O10 -","- C48 H40 Co N6 O10 -","- C192 H160 Co4 N24 O40 -","4","0.5","","Montney, Matthew R.; Supkowski, Ronald M.; LaDuca, Robert L.","Five-fold interpenetrated strongly hydrogen bonded rhomboid grid layers constructed from the aggregation of neutral coordination complexes with long pendant aromatic dicarboxylate and organodiimine ligands","CrystEngComm","2008","10","1","111","","10.1039/b705987f","","","0.71073","MoKα","","0.125","0.065","","","0.1175","0.1389","","","","","","1.068","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201502","26.15","0.007","8.241","0.002","21.331","0.006","90","","119.933","0.004","90","","3983.7","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H36 N6 O8 Zn -","- C48 H36 N6 O8 Zn -","- C192 H144 N24 O32 Zn4 -","4","0.5","","Montney, Matthew R.; Supkowski, Ronald M.; LaDuca, Robert L.","Five-fold interpenetrated strongly hydrogen bonded rhomboid grid layers constructed from the aggregation of neutral coordination complexes with long pendant aromatic dicarboxylate and organodiimine ligands","CrystEngComm","2008","10","1","111","","10.1039/b705987f","","","0.71073","MoKα","","0.085","0.0475","","","0.0917","0.1038","","","","","","1.02","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201503","13.222","0.003","5.8829","0.0001","26.351","0.005","90","","114.443","0.009","90","","1866","0.6","313","2","313","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C44 H26 N8 O9 Zn2 -","- C44 H26 N8 O9 Zn2 -","- C88 H52 N16 O18 Zn4 -","2","0.5","","Wang, Xiu-Li; Bi, Yan-Feng; Liu, Guo-Cheng; Lin, Hong-Yan; Hu, Tong-Liang; Bu, Xian-He","Zn(ii) coordination architectures with mixed ligands of dipyrido[3,2-d ∶ 2′,3′-f]quinoxaline/2,3-di-2-pyridylquinoxaline and benzenedicarboxylate: syntheses, crystal structures, and photoluminescence properties","CrystEngComm","2008","10","3","349","","10.1039/b706071h","","","0.71073","MoKα","","0.0961","0.045","","","0.0833","0.0983","","","","","","0.963","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201504","13.6117","0.0018","14.957","0.002","18.604","0.003","90","","90","","90","","3787.6","0.9","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H14 N4 O5 Zn -","- C22 H14 N4 O5 Zn -","- C176 H112 N32 O40 Zn8 -","8","1","","Wang, Xiu-Li; Bi, Yan-Feng; Liu, Guo-Cheng; Lin, Hong-Yan; Hu, Tong-Liang; Bu, Xian-He","Zn(ii) coordination architectures with mixed ligands of dipyrido[3,2-d ∶ 2′,3′-f]quinoxaline/2,3-di-2-pyridylquinoxaline and benzenedicarboxylate: syntheses, crystal structures, and photoluminescence properties","CrystEngComm","2008","10","3","349","","10.1039/b706071h","","","0.71073","MoKα","","0.0827","0.0381","","","0.0838","0.1022","","","","","","0.999","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201505","18.881","0.005","14.216","0.004","30.413","0.008","90","","104.35","0.004","90","","7909","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H28 N8 O10 Zn2 -","- C44 H28 N8 O10 Zn2 -","- C352 H224 N64 O80 Zn16 -","8","1","","Wang, Xiu-Li; Bi, Yan-Feng; Liu, Guo-Cheng; Lin, Hong-Yan; Hu, Tong-Liang; Bu, Xian-He","Zn(ii) coordination architectures with mixed ligands of dipyrido[3,2-d ∶ 2′,3′-f]quinoxaline/2,3-di-2-pyridylquinoxaline and benzenedicarboxylate: syntheses, crystal structures, and photoluminescence properties","CrystEngComm","2008","10","3","349","","10.1039/b706071h","","","0.71073","MoKα","","0.1003","0.0448","","","0.0803","0.0964","","","","","","0.987","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201506","7.5573","0.0016","23.502","0.005","12.903","0.003","90","","106.473","0.004","90","","2197.7","0.8","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H16 N4 O4 Zn -","- C26 H16 N4 O4 Zn -","- C104 H64 N16 O16 Zn4 -","4","1","","Wang, Xiu-Li; Bi, Yan-Feng; Liu, Guo-Cheng; Lin, Hong-Yan; Hu, Tong-Liang; Bu, Xian-He","Zn(ii) coordination architectures with mixed ligands of dipyrido[3,2-d ∶ 2′,3′-f]quinoxaline/2,3-di-2-pyridylquinoxaline and benzenedicarboxylate: syntheses, crystal structures, and photoluminescence properties","CrystEngComm","2008","10","3","349","","10.1039/b706071h","","","0.71073","MoKα","","0.1059","0.0522","","","0.1144","0.1341","","","","","","1.027","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201507","16.767","0.003","8.2663","0.0016","19.495","0.004","90","","96.903","0.004","90","","2682.4","0.9","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H20 N4 O5 Zn -","- C32 H20 N4 O5 Zn -","- C128 H80 N16 O20 Zn4 -","4","1","","Wang, Xiu-Li; Bi, Yan-Feng; Liu, Guo-Cheng; Lin, Hong-Yan; Hu, Tong-Liang; Bu, Xian-He","Zn(ii) coordination architectures with mixed ligands of dipyrido[3,2-d ∶ 2′,3′-f]quinoxaline/2,3-di-2-pyridylquinoxaline and benzenedicarboxylate: syntheses, crystal structures, and photoluminescence properties","CrystEngComm","2008","10","3","349","","10.1039/b706071h","","","0.71073","MoKα","","0.1366","0.051","","","0.1072","0.1336","","","","","","1.042","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201508","37.703","0.008","37.703","0.008","17.32","0.005","90","","90","","120","","21322","9","253","1","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C32 H18 N4 O10 Os3 -","- C32 H18 N4 O10 Os3 -","- C576 H324 N72 O180 Os54 -","18","0.5","","Wong, Janet Shuk-Yee; Gu, Yan-Juan; Szeto, Lap; Wong, Wing-Tak","An open-channel architecture assembly from the [Os3(CO)8{µ-η3-ONCPh(NC5H4)}2] cluster","CrystEngComm","2008","10","1","29","","10.1039/b708080h","","","0.71073","MoKα","","","0.0538","","","","0.0648","","","","","","1.011","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201509","12.955","0.005","12.955","0.005","19.352","0.006","90","","90","","90","","3248","2","253","1","","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C32 H18 N4 O10 Os3 -","- C32 H18 N4 O10 Os3 -","- C128 H72 N16 O40 Os12 -","4","0.5","","Wong, Janet Shuk-Yee; Gu, Yan-Juan; Szeto, Lap; Wong, Wing-Tak","An open-channel architecture assembly from the [Os3(CO)8{µ-η3-ONCPh(NC5H4)}2] cluster","CrystEngComm","2008","10","1","29","","10.1039/b708080h","","","0.71073","MoKα","","","0.0225","","","","0.0267","","","","","","1.083","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201510","13.847","0.009","14.011","0.011","19.795","0.016","78.5","0.03","76.35","0.03","63.27","0.02","3314","4","110","2","110","2","","","","","","","","5","P -1","-P 1","2","C60*(ZnOEP2.BPy)0.5*CHCl3","","","- C204 H98 Cl6 N10 Zn2 -","- C204 H98 Cl6 N10 Zn2 -","- C204 H98 Cl6 N10 Zn2 -","1","0.5","","Konarev, Dmitri V.; Khasanov, Salavat S.; Slovokhotov, Yury L.; Saito, Gunzi; Lyubovskaya, Rimma N.","Neutral and ionic complexes of C60 with (ZnOEP)2·BPy coordination dimers","CrystEngComm","2008","10","1","48","","10.1039/b708100f","","","0.71073","MoKα","","0.1366","0.0917","","","0.2181","0.2453","","","","","","0.951","","","","has coordinates,has disorder","180346","2020-10-21","18:00:00",""
"7201511","14.8555","0.0004","21.215","0.0007","24.2022","0.0006","90","","90","","90","","7627.6","0.4","100","2","100","2","","","","","","","","5","I 2 2 2","I 2 2","23","2(C60-)*(ZnOEP2.BPy)*2(TDAE+)*(C6H4Cl2)0.25*(C6H6)0.75","","","- C228 H149.5 Cl0.5 N18 Zn2 -","- C228 H149.504 Cl0.496 N18 Zn2 -","- C456 H299.008 Cl0.992 N36 Zn4 -","2","0.25","","Konarev, Dmitri V.; Khasanov, Salavat S.; Slovokhotov, Yury L.; Saito, Gunzi; Lyubovskaya, Rimma N.","Neutral and ionic complexes of C60 with (ZnOEP)2·BPy coordination dimers","CrystEngComm","2008","10","1","48","","10.1039/b708100f","","","0.71073","MoKα","","0.0571","0.0496","","","0.1401","0.1466","","","","","","1.077","","","","has coordinates,has disorder","180346","2020-10-21","18:00:00",""
"7201512","14.14","0.002","7.3843","0.0011","10.2066","0.0015","90","","109.291","0.01","90","","1005.9","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Phenylcyclopentanecarboxamide","","- C12 H15 N O -","- C12 H15 N O -","- C48 H60 N4 O4 -","4","1","","Lemmerer, Andreas; Michael, Joseph P.","Hydrogen bonding patterns in a series of 1-arylcycloalkanecarboxamides","CrystEngComm","2008","10","1","95","","10.1039/b708333e","","","0.71073","MoKα","","0.0601","0.0459","","","0.1102","0.1184","","","","","","1.028","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201513","13.8232","0.0019","6.1326","0.0008","26.176","0.004","90","","90","","90","","2219","0.5","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","1-Phenylcyclohexanecarboxamide","","- C13 H17 N O -","- C13 H17 N O -","- C104 H136 N8 O8 -","8","2","","Lemmerer, Andreas; Michael, Joseph P.","Hydrogen bonding patterns in a series of 1-arylcycloalkanecarboxamides","CrystEngComm","2008","10","1","95","","10.1039/b708333e","","","0.71073","MoKα","","0.0567","0.0434","","","0.1058","0.1126","","","","","","1.038","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201514","11.792","0.005","8.646","0.004","12.17","0.005","90","","111.51","0.007","90","","1154.4","0.9","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(2-Fluorophenyl)cyclohexanecarbocamide","","- C13 H16 F N O -","- C13 H16 F N O -","- C52 H64 F4 N4 O4 -","4","1","","Lemmerer, Andreas; Michael, Joseph P.","Hydrogen bonding patterns in a series of 1-arylcycloalkanecarboxamides","CrystEngComm","2008","10","1","95","","10.1039/b708333e","","","0.71073","MoKα","","0.0654","0.0436","","","0.109","0.1186","","","","","","1.033","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201515","13.314","0.002","9.3311","0.0013","29.104","0.004","90","","90.109","0.01","90","","3615.7","0.9","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(2-Chlorophenyl)cyclohexanecarboxamide","","- C13 H16 Cl N O -","- C13 H16 Cl N O -","- C156 H192 Cl12 N12 O12 -","12","3","","Lemmerer, Andreas; Michael, Joseph P.","Hydrogen bonding patterns in a series of 1-arylcycloalkanecarboxamides","CrystEngComm","2008","10","1","95","","10.1039/b708333e","","","0.71073","MoKα","","0.0737","0.0471","","","0.1339","0.1576","","","","","","0.662","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201516","8.9257","0.0013","10.8387","0.0016","13.7825","0.0019","69.877","0.01","87.223","0.011","82.095","0.011","1240.1","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","1-(2-Bromophenyl)cyclohexanecarboxamide","","- C13 H16 Br N O -","- C13 H16 Br N O -","- C52 H64 Br4 N4 O4 -","4","2","","Lemmerer, Andreas; Michael, Joseph P.","Hydrogen bonding patterns in a series of 1-arylcycloalkanecarboxamides","CrystEngComm","2008","10","1","95","","10.1039/b708333e","","","0.71073","MoKα","","0.0423","0.0319","","","0.088","0.0958","","","","","","0.668","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201517","7.464","0.0005","11.7638","0.0008","13.5851","0.0009","81.132","0.001","79.124","0.001","73.027","0.001","1114.14","0.13","291","2","291","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H17 Cl Cu F N3 O7 -","- C22 H17 Cl Cu F N3 O7 -","- C44 H34 Cl2 Cu2 F2 N6 O14 -","2","1","","Martínez-Vargas, Sergio; Hernández-Ortega, Simón; Toscano, Rubén A.; Salazar-Mendoza, Domingo; Valdés-Martínez, Jesús","Controlling the geometry of Cu(ii) tectons to build one-dimensional hydrogen bonded chains","CrystEngComm","2008","10","1","86","","10.1039/b708585k","","","0.71073","MoKα","","0.044","0.0358","","","0.0811","0.0835","","","","","","0.951","","","","has coordinates,has disorder","180346","2020-10-21","18:00:00",""
"7201518","8.4714","0.0007","20.2757","0.0017","13.3148","0.0011","90","","100.051","0.002","90","","2251.9","0.3","291","2","291","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 Cl Cu F N3 O7 -","- C22 H17 Cl Cu F N3 O7 -","- C88 H68 Cl4 Cu4 F4 N12 O28 -","4","1","","Martínez-Vargas, Sergio; Hernández-Ortega, Simón; Toscano, Rubén A.; Salazar-Mendoza, Domingo; Valdés-Martínez, Jesús","Controlling the geometry of Cu(ii) tectons to build one-dimensional hydrogen bonded chains","CrystEngComm","2008","10","1","86","","10.1039/b708585k","","","0.71073","MoKα","","0.1111","0.0597","","","0.1146","0.1245","","","","","","0.946","","","","has coordinates,has disorder","180346","2020-10-21","18:00:00",""
"7201519","7.359","0.001","12.348","0.001","13.87","0.002","87.08","0.01","81.66","0.01","78.55","0.01","1221.9","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","(aqua(4,5-dichlorophthalato-O)(2,2':6',2''-terpyridine- N,N'N'')copper(ii)) three hydrate","[aqua(4,5-dichlorophthalato-O)(2,2':6',2""-terpyridine-N,N'N"")copper(II)] three hydrate","","- C23 H21 Cl2 Cu N3 O8 -","- C23 H21 Cl2 Cu N3 O8 -","- C46 H42 Cl4 Cu2 N6 O16 -","2","1","","Martínez-Vargas, Sergio; Hernández-Ortega, Simón; Toscano, Rubén A.; Salazar-Mendoza, Domingo; Valdés-Martínez, Jesús","Controlling the geometry of Cu(ii) tectons to build one-dimensional hydrogen bonded chains","CrystEngComm","2008","10","1","86","","10.1039/b708585k","","","0.71073","MoKα","","0.052","0.0369","","","0.0847","0.0922","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201520","7.3808","0.0006","32.937","0.003","13.1837","0.0011","90","","99.534","0.002","90","","3160.7","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H21 Cl4 Cu N3 O10 -","- C31 H21 Cl4 Cu N3 O10 -","- C124 H84 Cl16 Cu4 N12 O40 -","4","1","","Martínez-Vargas, Sergio; Hernández-Ortega, Simón; Toscano, Rubén A.; Salazar-Mendoza, Domingo; Valdés-Martínez, Jesús","Controlling the geometry of Cu(ii) tectons to build one-dimensional hydrogen bonded chains","CrystEngComm","2008","10","1","86","","10.1039/b708585k","","","0.71073","MoKα","","0.1091","0.0546","","","0.0821","0.0914","","","","","","0.817","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201521","7.6704","0.0004","25.4797","0.0013","12.463","0.0007","90","","96.488","0.001","90","","2420.2","0.2","291","2","291","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C46 H33 Cl Cu2 F8 N6 O18 -","- C46 H33 Cl Cu2 F8 N6 O18 -","- C92 H66 Cl2 Cu4 F16 N12 O36 -","2","1","","Martínez-Vargas, Sergio; Hernández-Ortega, Simón; Toscano, Rubén A.; Salazar-Mendoza, Domingo; Valdés-Martínez, Jesús","Controlling the geometry of Cu(ii) tectons to build one-dimensional hydrogen bonded chains","CrystEngComm","2008","10","1","86","","10.1039/b708585k","","","0.71073","MoKα","","0.0502","0.0395","","","0.07","0.0725","","","","","","0.85","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201522","7.032","0.001","12.785","0.002","14.381","0.002","86.59","0.01","85.08","0.02","84.95","0.01","1281.4","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C27.6 H26.2 Cu N3 O8 -","- C27.6 H26.2 Cu N3 O8 -","- C55.2 H52.4 Cu2 N6 O16 -","2","1","","Martínez-Vargas, Sergio; Hernández-Ortega, Simón; Toscano, Rubén A.; Salazar-Mendoza, Domingo; Valdés-Martínez, Jesús","Controlling the geometry of Cu(ii) tectons to build one-dimensional hydrogen bonded chains","CrystEngComm","2008","10","1","86","","10.1039/b708585k","","","0.71073","MoKα","","0.0609","0.0465","","","0.1198","0.1354","","","","","","1.071","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7201523","8.5511","0.0018","9.298","0.002","10.774","0.003","86.929","0.018","80.092","0.018","82.061","0.017","835.4","0.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","1,3-dimethylimidazolium methylsulfate (18-crown-6)","","","- C24 H48 N4 O14 S2 -","- C24 H48 N4 O14 S2 -","- C24 H48 N4 O14 S2 -","1","0.5","","Gjikaj, Mimoza; Brockner, Wolfgang; Namyslo, Jan; Adam, Arnold","Crown-ether enclosure generated by ionic liquid components—synthesis, crystal structure and Raman spectra of compounds of imidazolium based salts and 18-crown-6","CrystEngComm","2008","10","1","103","","10.1039/b708724c","","","0.71073","MoKα","","0.0845","0.0621","","","0.1542","0.1682","","","","","","1.03","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201524","9.1227","0.0011","16.1877","0.0014","13.9387","0.0016","90","","98.028","0.01","90","","2038.2","0.4","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1-butyl-3-methylimidazolium methylsulfate (18-crown-6)","","","- C30 H60 N4 O14 S2 -","- C30 H60 N4 O14 S2 -","- C60 H120 N8 O28 S4 -","2","0.5","","Gjikaj, Mimoza; Brockner, Wolfgang; Namyslo, Jan; Adam, Arnold","Crown-ether enclosure generated by ionic liquid components—synthesis, crystal structure and Raman spectra of compounds of imidazolium based salts and 18-crown-6","CrystEngComm","2008","10","1","103","","10.1039/b708724c","","","0.71073","MoKα","","0.0779","0.0612","","","0.1484","0.1591","","","","","","1.09","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201525","8.946","0.002","9.165","0.002","11.469","0.003","92.604","0.018","98.722","0.018","97.862","0.019","918.6","0.4","223","2","223","2","","","","","","","","6","P -1","-P 1","2","1-ethyl-3-methylimidazolium trifluoromethanesulfonate (18- crown-6)","","","- C26 H46 F6 N4 O12 S2 -","- C26 H46 F6 N4 O12 S2 -","- C26 H46 F6 N4 O12 S2 -","1","0.5","","Gjikaj, Mimoza; Brockner, Wolfgang; Namyslo, Jan; Adam, Arnold","Crown-ether enclosure generated by ionic liquid components—synthesis, crystal structure and Raman spectra of compounds of imidazolium based salts and 18-crown-6","CrystEngComm","2008","10","1","103","","10.1039/b708724c","","","0.71073","MoKα","","0.1016","0.0612","","","0.108","0.1217","","","","","","1.066","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201526","8.751","0.005","9.126","0.004","11.357","0.006","97.26","0.04","97.99","0.04","97.76","0.04","880.2","0.8","223","2","223","2","","","","","","","","5","P -1","-P 1","2","1-ethyl-3-methylimidazolium methanesulfanate (18-crown-6)","","","- C26 H52 N4 O12 S2 -","- C26 H52 N4 O12 S2 -","- C26 H52 N4 O12 S2 -","1","0.5","","Gjikaj, Mimoza; Brockner, Wolfgang; Namyslo, Jan; Adam, Arnold","Crown-ether enclosure generated by ionic liquid components—synthesis, crystal structure and Raman spectra of compounds of imidazolium based salts and 18-crown-6","CrystEngComm","2008","10","1","103","","10.1039/b708724c","","","0.71073","MoKα","","0.1172","0.0725","","","0.1454","0.1638","","","","","","1.038","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201527","6.9077","0.0014","8.6625","0.0017","12.91","0.003","77.42","0.03","82.55","0.03","88.7","0.03","747.6","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H10 Cl5 N O -","- C13 H10 Cl5 N O -","- C26 H20 Cl10 N2 O2 -","2","1","","Schmidtmann, Marc; Wilson, Chick C.","Hydrogen transfer in pentachlorophenol ‒ dimethylpyridine complexes","CrystEngComm","2008","10","2","177","","10.1039/b709110a","","","0.71073","MoKα","","0.1445","0.1185","","","0.2837","0.3001","","","","","","1.073","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201528","7.0775","0.0009","8.3612","0.0011","12.9536","0.0019","93.097","0.009","102.689","0.008","100.189","0.007","732.58","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H10 Cl5 N O -","- C13 H10 Cl5 N O -","- C26 H20 Cl10 N2 O2 -","2","1","","Schmidtmann, Marc; Wilson, Chick C.","Hydrogen transfer in pentachlorophenol ‒ dimethylpyridine complexes","CrystEngComm","2008","10","2","177","","10.1039/b709110a","","","0.71073","MoKα","","0.0499","0.0316","","","0.0591","0.0627","","","","","","0.897","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201529","27.3366","0.0014","7.0801","0.0004","19.0097","0.001","90","","125.646","0.002","90","","2989.9","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H10 Cl5 N O -","- C13 H10 Cl5 N O -","- C104 H80 Cl40 N8 O8 -","8","1","","Schmidtmann, Marc; Wilson, Chick C.","Hydrogen transfer in pentachlorophenol ‒ dimethylpyridine complexes","CrystEngComm","2008","10","2","177","","10.1039/b709110a","","","0.71073","MoKα","","0.0338","0.0258","","","0.0622","0.0663","","","","","","1.069","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201530","5.4813","0.0003","11.4515","0.0006","12.7614","0.0007","68.164","0.003","82.613","0.003","83.03","0.002","735.02","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H10 Cl5 N O -","- C13 H10 Cl5 N O -","- C26 H20 Cl10 N2 O2 -","2","1","","Schmidtmann, Marc; Wilson, Chick C.","Hydrogen transfer in pentachlorophenol ‒ dimethylpyridine complexes","CrystEngComm","2008","10","2","177","","10.1039/b709110a","","","0.71073","MoKα","","0.0362","0.0274","","","0.0708","0.0755","","","","","","1.038","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201531","8.7761","0.0006","14.2399","0.001","23.7104","0.0017","90","","95.948","0.001","90","","2947.2","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 Cl10 N2 O2 -","- C26 H20 Cl10 N2 O2 -","- C104 H80 Cl40 N8 O8 -","4","1","","Schmidtmann, Marc; Wilson, Chick C.","Hydrogen transfer in pentachlorophenol ‒ dimethylpyridine complexes","CrystEngComm","2008","10","2","177","","10.1039/b709110a","","","0.71073","MoKα","","0.0435","0.0309","","","0.0754","0.082","","","","","","1.047","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201532","8.6844","0.0016","13.449","0.003","12.804","0.002","90","","90.622","0.004","90","","1495.4","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H10 Cl5 N O -","- C13 H10 Cl5 N O -","- C52 H40 Cl20 N4 O4 -","4","1","","Schmidtmann, Marc; Wilson, Chick C.","Hydrogen transfer in pentachlorophenol ‒ dimethylpyridine complexes","CrystEngComm","2008","10","2","177","","10.1039/b709110a","","","0.71073","MoKα","","0.0392","0.0295","","","0.075","0.0799","","","","","","1.046","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201533","7.0199","0.0006","22.9038","0.0018","15.2538","0.0012","90","","90","","90","","2452.5","0.3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C19 H13 Cl10 N O3 -","- C19 H13 Cl10 N O3 -","- C76 H52 Cl40 N4 O12 -","4","1","","Schmidtmann, Marc; Wilson, Chick C.","Hydrogen transfer in pentachlorophenol ‒ dimethylpyridine complexes","CrystEngComm","2008","10","2","177","","10.1039/b709110a","","","0.71073","MoKα","","0.038","0.0299","","","0.0619","0.0658","","","","","","1.067","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201534","9.342","0.0005","11.5145","0.0007","12.2668","0.0008","94.367","0.004","104.227","0.003","107.084","0.003","1206.84","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H11 Cl10 N O2 -","- C19 H11 Cl10 N O2 -","- C38 H22 Cl20 N2 O4 -","2","1","","Schmidtmann, Marc; Wilson, Chick C.","Hydrogen transfer in pentachlorophenol ‒ dimethylpyridine complexes","CrystEngComm","2008","10","2","177","","10.1039/b709110a","","","0.71073","MoKα","","0.0429","0.0308","","","0.0686","0.0747","","","","","","1.023","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201535","11.7771","0.0005","12.4154","0.0005","16.9","0.0007","76.399","0.002","86.657","0.002","85.458","0.002","2392.23","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H11 Cl10 N O2 -","- C19 H11 Cl10 N O2 -","- C76 H44 Cl40 N4 O8 -","4","2","","Schmidtmann, Marc; Wilson, Chick C.","Hydrogen transfer in pentachlorophenol ‒ dimethylpyridine complexes","CrystEngComm","2008","10","2","177","","10.1039/b709110a","","","0.71073","MoKα","","0.0435","0.0309","","","0.0666","0.0722","","","","","","1.023","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201536","9.8207","0.0013","11.2083","0.001","11.8496","0.0011","62.435","0.01","77.407","0.013","71.735","0.012","1093.9","0.2","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H16 N4 O4 Pb -","- C26 H16 N4 O4 Pb -","- C52 H32 N8 O8 Pb2 -","2","1","","Chen, Zhen-Feng; Zhang, Zhi-Li; Tan, Yu-Hui; Tang, Yun-Zhi; Fun, Hoong-Kun; Zhou, Zhong-Yuan; Abrahams, Brendan F.; Liang, Hong","Coordination polymers constructed by linking metal ions with azodibenzoate anions","CrystEngComm","2008","10","2","217","","10.1039/b709587b","","","0.7107","MoKα","","0.033","0.029","","","0.065","0.0665","","","","","","1.081","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201537","15.152","0.003","12.764","0.002","22.213","0.004","90","","97.324","0.005","90","","4260.9","1.3","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H38 Cu2 N2 O5 P2 -","- C50 H38 Cu2 N2 O5 P2 -","- C200 H152 Cu8 N8 O20 P8 -","4","1","","Chen, Zhen-Feng; Zhang, Zhi-Li; Tan, Yu-Hui; Tang, Yun-Zhi; Fun, Hoong-Kun; Zhou, Zhong-Yuan; Abrahams, Brendan F.; Liang, Hong","Coordination polymers constructed by linking metal ions with azodibenzoate anions","CrystEngComm","2008","10","2","217","","10.1039/b709587b","","","0.71073","MoKα","","0.2322","0.0541","","","0.0711","0.0928","","","","","","0.914","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201538","8.0104","0.0008","8.39","0.0008","16.5826","0.0017","101.017","0.002","96.913","0.001","93.629","0.001","1081.71","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 N4 O4 Zn -","- C24 H18 N4 O4 Zn -","- C48 H36 N8 O8 Zn2 -","2","1","","Chen, Zhen-Feng; Zhang, Zhi-Li; Tan, Yu-Hui; Tang, Yun-Zhi; Fun, Hoong-Kun; Zhou, Zhong-Yuan; Abrahams, Brendan F.; Liang, Hong","Coordination polymers constructed by linking metal ions with azodibenzoate anions","CrystEngComm","2008","10","2","217","","10.1039/b709587b","","","0.71073","MoKα","","0.0833","0.0532","","","0.1164","0.1398","","","","","","0.985","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201539","5.5357","0.0008","24.334","0.003","6.075","0.0008","90","","116.127","0.002","90","","734.72","0.17","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C14 H12 Cd N2 O6 -","- C14 H8 Cd N2 O6 -","- C28 H16 Cd2 N4 O12 -","2","0.5","","Chen, Zhen-Feng; Zhang, Zhi-Li; Tan, Yu-Hui; Tang, Yun-Zhi; Fun, Hoong-Kun; Zhou, Zhong-Yuan; Abrahams, Brendan F.; Liang, Hong","Coordination polymers constructed by linking metal ions with azodibenzoate anions","CrystEngComm","2008","10","2","217","","10.1039/b709587b","","","0.71073","MoKα","","0.1054","0.0933","","","0.2446","0.2537","","","","","","1.289","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201540","6.0885","0.0013","9.586","0.002","13.926","0.003","92.253","0.004","90.182","0.004","102.491","0.004","792.9","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H32 Co N6 O6 -","- C34 H32 Co N6 O6 -","- C34 H32 Co N6 O6 -","1","0.5","","Chen, Zhen-Feng; Zhang, Zhi-Li; Tan, Yu-Hui; Tang, Yun-Zhi; Fun, Hoong-Kun; Zhou, Zhong-Yuan; Abrahams, Brendan F.; Liang, Hong","Coordination polymers constructed by linking metal ions with azodibenzoate anions","CrystEngComm","2008","10","2","217","","10.1039/b709587b","","","0.71073","MoKα","","0.1298","0.0572","","","0.0886","0.1003","","","","","","0.991","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201541","9.7462","0.0017","19.627","0.003","10.3287","0.0018","90","","100.361","0.003","90","","1943.5","0.6","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C16 H14 N2 O5 Zn -","- C16 H14 N2 O5 Zn -","- C64 H56 N8 O20 Zn4 -","4","0.5","","Chen, Zhen-Feng; Zhang, Zhi-Li; Tan, Yu-Hui; Tang, Yun-Zhi; Fun, Hoong-Kun; Zhou, Zhong-Yuan; Abrahams, Brendan F.; Liang, Hong","Coordination polymers constructed by linking metal ions with azodibenzoate anions","CrystEngComm","2008","10","2","217","","10.1039/b709587b","","","0.71073","MoKα","","0.0864","0.08","","","0.2358","0.2513","","","","","","1.107","","","","has coordinates,has disorder","180346","2020-10-21","18:00:00",""
"7201542","10.3958","0.0013","11.317","0.0015","11.5539","0.0015","91.235","0.003","92.032","0.003","113.549","0.003","1244.4","0.3","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H38 Co3 N8 O12 -","- C56 H38 Co3 N8 O12 -","- C56 H38 Co3 N8 O12 -","1","0.5","","Chen, Zhen-Feng; Zhang, Zhi-Li; Tan, Yu-Hui; Tang, Yun-Zhi; Fun, Hoong-Kun; Zhou, Zhong-Yuan; Abrahams, Brendan F.; Liang, Hong","Coordination polymers constructed by linking metal ions with azodibenzoate anions","CrystEngComm","2008","10","2","217","","10.1039/b709587b","","","0.71073","MoKα","","0.1134","0.0534","","","0.1104","0.1347","","","","","","1.021","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201543","16.6386","0.0007","6.3953","0.0003","27.2889","0.001","90","","112.7","0.002","90","","2678.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 Cd N4 O5 -","- C26 H18 Cd N4 O5 -","- C104 H72 Cd4 N16 O20 -","4","1","","Chen, Zhen-Feng; Zhang, Zhi-Li; Tan, Yu-Hui; Tang, Yun-Zhi; Fun, Hoong-Kun; Zhou, Zhong-Yuan; Abrahams, Brendan F.; Liang, Hong","Coordination polymers constructed by linking metal ions with azodibenzoate anions","CrystEngComm","2008","10","2","217","","10.1039/b709587b","","","0.71073","MoKα","","0.0585","0.0458","","","0.1185","0.1241","","","","","","1.236","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201544","13.852","0.006","11.785","0.005","19.365","0.008","90","","107.722","0.007","90","","3011","2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C66 H40 N10 O12 Y2 -","- C66 H40 N10 O12 Y2 -","- C132 H80 N20 O24 Y4 -","2","0.5","","Chen, Zhen-Feng; Zhang, Zhi-Li; Tan, Yu-Hui; Tang, Yun-Zhi; Fun, Hoong-Kun; Zhou, Zhong-Yuan; Abrahams, Brendan F.; Liang, Hong","Coordination polymers constructed by linking metal ions with azodibenzoate anions","CrystEngComm","2008","10","2","217","","10.1039/b709587b","","","0.71073","MoKα","","0.2052","0.0787","","","0.1711","0.2351","","","","","","0.955","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201545","13.771","0.006","11.733","0.005","18.983","0.008","90","","107.627","0.005","90","","2923","2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C66 H40 N10 O12 Sm2 -","- C66 H40 N10 O12 Sm2 -","- C132 H80 N20 O24 Sm4 -","2","0.5","","Chen, Zhen-Feng; Zhang, Zhi-Li; Tan, Yu-Hui; Tang, Yun-Zhi; Fun, Hoong-Kun; Zhou, Zhong-Yuan; Abrahams, Brendan F.; Liang, Hong","Coordination polymers constructed by linking metal ions with azodibenzoate anions","CrystEngComm","2008","10","2","217","","10.1039/b709587b","","","0.71073","MoKα","","0.1415","0.0527","","","0.0994","0.1337","","","","","","1.025","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201546","13.728","0.004","11.688","0.004","19.196","0.006","90","","107.743","0.004","90","","2933.5","1.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C66 H40 Er2 N10 O12 -","- C66 H40 Er2 N10 O12 -","- C132 H80 Er4 N20 O24 -","2","0.5","","Chen, Zhen-Feng; Zhang, Zhi-Li; Tan, Yu-Hui; Tang, Yun-Zhi; Fun, Hoong-Kun; Zhou, Zhong-Yuan; Abrahams, Brendan F.; Liang, Hong","Coordination polymers constructed by linking metal ions with azodibenzoate anions","CrystEngComm","2008","10","2","217","","10.1039/b709587b","","","0.71073","MoKα","","0.1906","0.0753","","","0.1515","0.201","","","","","","0.965","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201547","7.786","0.003","10.464","0.004","31.574","0.01","90","","90","","90","","2572.4","1.6","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H8 Ba N2 O4 -","- C14 H8 Ba N2 O4 -","- C112 H64 Ba8 N16 O32 -","8","1","","Chen, Zhen-Feng; Zhang, Zhi-Li; Tan, Yu-Hui; Tang, Yun-Zhi; Fun, Hoong-Kun; Zhou, Zhong-Yuan; Abrahams, Brendan F.; Liang, Hong","Coordination polymers constructed by linking metal ions with azodibenzoate anions","CrystEngComm","2008","10","2","217","","10.1039/b709587b","","","0.71073","MoKα","","0.1416","0.1096","","","0.2672","0.2815","","","","","","1.048","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201548","15.282","0.002","13.589","0.001","14.027","0.001","90","","112.611","0.001","90","","2689","0.4","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H14 O14 Pb4 -","- C24 H12 O14 Pb4 -","- C96 H48 O56 Pb16 -","4","1","","Yang, En-Cui; Li, Jian; Ding, Bin; Liang, Qing-Qing; Wang, Xiu-Guang; Zhao, Xiao-Jun","An eight-connected 3D lead(ii) metal‒organic framework with octanuclear lead(ii) as a secondary building unit: synthesis, characterization and luminescent property","CrystEngComm","2008","10","2","158","","10.1039/b709810c","","","0.71073","MoKα","","0.0507","0.0477","","","0.1296","0.1321","","","","","","1.059","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201549","8.0355","0.0018","5.3598","0.0012","23.64","0.005","90","","90.074","0.004","90","","1018.1","0.4","290","2","290","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 F N O -","- C13 H9 F N O -","- C52 H36 F4 N4 O4 -","4","1","","Chopra, Deepak; Guru Row, T. N.","Evaluation of the interchangeability of C‒H and C‒F groups: insights from crystal packing in a series of isomeric fluorinated benzanilides","CrystEngComm","2008","10","1","54","","10.1039/b709938j","","","0.71073","MoKα","","0.0706","0.0605","","","0.1361","0.1417","","","","","","1.132","","","","has coordinates,has disorder","180346","2020-10-21","18:00:00",""
"7201550","5.3691","0.001","7.8623","0.0015","12.892","0.002","72.465","0.003","80.495","0.003","89.707","0.003","511.23","0.16","290","2","290","2","","","","","","","see text","5","P -1","-P 1","2","","","","- C13 H10 F N O -","- C13 H10 F N O -","- C26 H20 F2 N2 O2 -","2","1","","Chopra, Deepak; Guru Row, T. N.","Evaluation of the interchangeability of C‒H and C‒F groups: insights from crystal packing in a series of isomeric fluorinated benzanilides","CrystEngComm","2008","10","1","54","","10.1039/b709938j","","","0.71073","MoKα","","0.0711","0.0626","","","0.1165","0.1201","","","","","","1.244","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201551","8.069","0.002","5.3914","0.0014","23.238","0.006","90","","90.169","0.004","90","","1010.9","0.4","290","2","290","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 F N O -","- C13 H10 F N O -","- C52 H40 F4 N4 O4 -","4","1","","Chopra, Deepak; Guru Row, T. N.","Evaluation of the interchangeability of C‒H and C‒F groups: insights from crystal packing in a series of isomeric fluorinated benzanilides","CrystEngComm","2008","10","1","54","","10.1039/b709938j","","","0.71073","MoKα","","0.0648","0.0524","","","0.1209","0.1287","","","","","","1.022","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201552","5.349","0.003","7.599","0.004","12.945","0.006","92.124","0.008","101.179","0.007","90.162","0.008","515.8","0.5","290","2","290","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H10 F N O -","- C13 H10 F N O -","- C26 H20 F2 N2 O2 -","2","1","","Chopra, Deepak; Guru Row, T. N.","Evaluation of the interchangeability of C‒H and C‒F groups: insights from crystal packing in a series of isomeric fluorinated benzanilides","CrystEngComm","2008","10","1","54","","10.1039/b709938j","","","0.71073","MoKα","","0.0469","0.0323","","","0.0821","0.1121","","","","","","1.222","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201553","5.4206","0.0015","6.258","0.0017","15.534","0.004","90","","97.454","0.005","90","","522.5","0.2","290","2","290","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H10 F N O -","- C13 H10 F N O -","- C26 H20 F2 N2 O2 -","2","1","","Chopra, Deepak; Guru Row, T. N.","Evaluation of the interchangeability of C‒H and C‒F groups: insights from crystal packing in a series of isomeric fluorinated benzanilides","CrystEngComm","2008","10","1","54","","10.1039/b709938j","","","0.71073","MoKα","","0.1272","0.0635","","","0.0931","0.1116","","","","","","1.001","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201554","12.2353","0.0016","10.8787","0.0014","7.8648","0.001","90","","90.232","0.002","90","","1046.8","0.2","290","2","290","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C52 H36 F8 N4 O4 -","4","1","","Chopra, Deepak; Guru Row, T. N.","Evaluation of the interchangeability of C‒H and C‒F groups: insights from crystal packing in a series of isomeric fluorinated benzanilides","CrystEngComm","2008","10","1","54","","10.1039/b709938j","","","0.71073","MoKα","","0.0685","0.0499","","","0.0933","0.1002","","","","","","1.149","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201555","24.66","0.005","5.2031","0.0012","8.244","0.0018","90","","90","","90","","1057.8","0.4","290","2","290","2","","","","","","","see text","5","P c a 21","P 2c -2ac","29","","","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C52 H36 F8 N4 O4 -","4","1","","Chopra, Deepak; Guru Row, T. N.","Evaluation of the interchangeability of C‒H and C‒F groups: insights from crystal packing in a series of isomeric fluorinated benzanilides","CrystEngComm","2008","10","1","54","","10.1039/b709938j","","","0.71073","MoKα","","0.1259","0.0853","","","0.1356","0.1494","","","","","","1.148","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201556","5.1864","0.0014","5.8673","0.0016","35.127","0.009","90","","90","","90","","1068.9","0.5","290","2","290","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C52 H36 F8 N4 O4 -","4","1","","Chopra, Deepak; Guru Row, T. N.","Evaluation of the interchangeability of C‒H and C‒F groups: insights from crystal packing in a series of isomeric fluorinated benzanilides","CrystEngComm","2008","10","1","54","","10.1039/b709938j","","","0.71073","MoKα","","0.089","0.076","","","0.131","0.135","","","","","","1.09","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201557","5.46","0.002","7.693","0.003","13.038","0.005","106.758","0.006","100.371","0.006","90.016","0.006","515","0.3","290","2","290","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C26 H18 F4 N2 O2 -","2","1","","Chopra, Deepak; Guru Row, T. N.","Evaluation of the interchangeability of C‒H and C‒F groups: insights from crystal packing in a series of isomeric fluorinated benzanilides","CrystEngComm","2008","10","1","54","","10.1039/b709938j","","","0.71073","MoKα","","0.0786","0.0612","","","0.1625","0.1729","","","","","","1.059","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201558","8.0984","0.0014","16.458","0.003","16.621","0.003","90","","90","","90","","2215.3","0.7","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 Mg O15 -","- C17 H24 Mg O15 -","- C68 H96 Mg4 O60 -","4","1","","Duan, Xianying; Lin, Jianguo; Li, Yizhi; Zhu, Chengjian; Meng, Qingjin","Syntheses, structures and properties of a series of organic‒inorganic complexes based on methylenediisophthalic acid (H4MDIP)","CrystEngComm","2008","10","2","207","","10.1039/b709972j","","","0.71073","MoKα","","0.0641","0.0466","","","0.0952","0.0991","","","","","","1.025","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201559","19.436","0.018","13.549","0.013","20.662","0.019","90","","116.932","0.017","90","","4851","8","291","2","291","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H28 Ca2 O17 -","- C18 H28 Ca2 O17 -","- C144 H224 Ca16 O136 -","8","1","","Duan, Xianying; Lin, Jianguo; Li, Yizhi; Zhu, Chengjian; Meng, Qingjin","Syntheses, structures and properties of a series of organic‒inorganic complexes based on methylenediisophthalic acid (H4MDIP)","CrystEngComm","2008","10","2","207","","10.1039/b709972j","","","0.71073","MoKα","","0.0734","0.0525","","","0.111","0.1171","","","","","","1.039","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201560","10.852","0.002","12.688","0.003","17.865","0.004","90","","90.793","0.004","90","","2459.6","0.9","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H26 O17 Sr2 -","- C17 H26 O17 Sr2 -","- C68 H104 O68 Sr8 -","4","1","","Duan, Xianying; Lin, Jianguo; Li, Yizhi; Zhu, Chengjian; Meng, Qingjin","Syntheses, structures and properties of a series of organic‒inorganic complexes based on methylenediisophthalic acid (H4MDIP)","CrystEngComm","2008","10","2","207","","10.1039/b709972j","","","0.71073","MoKα","","0.0858","0.0635","","","0.132","0.1376","","","","","","0.987","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201561","21.44","0.005","13.16","0.003","10.837","0.002","90","","119.847","0.003","90","","2652.1","1","291","2","291","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H28 Ba2 O18 -","- C17 H28 Ba2 O18 -","- C68 H112 Ba8 O72 -","4","0.5","","Duan, Xianying; Lin, Jianguo; Li, Yizhi; Zhu, Chengjian; Meng, Qingjin","Syntheses, structures and properties of a series of organic‒inorganic complexes based on methylenediisophthalic acid (H4MDIP)","CrystEngComm","2008","10","2","207","","10.1039/b709972j","","","0.71073","MoKα","","0.0593","0.0459","","","0.11","0.1136","","","","","","1.03","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201562","7.3196","0.0017","10.067","0.002","11.818","0.003","75.913","0.003","75.671","0.004","74.625","0.004","798.7","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H26 Mn2 O19 -","- C34 H26 Mn2 O19 -","- C34 H26 Mn2 O19 -","1","0.5","","Duan, Xianying; Lin, Jianguo; Li, Yizhi; Zhu, Chengjian; Meng, Qingjin","Syntheses, structures and properties of a series of organic‒inorganic complexes based on methylenediisophthalic acid (H4MDIP)","CrystEngComm","2008","10","2","207","","10.1039/b709972j","","","0.71073","MoKα","","0.0647","0.055","","","0.1274","0.131","","","","","","1.131","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201563","7.2984","0.0017","9.985","0.002","11.724","0.003","76.244","0.003","75.392","0.001","74.173","0.005","782.2","0.3","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H26 Co2 O19 -","- C34 H26 Co2 O19 -","- C34 H26 Co2 O19 -","1","0.5","","Duan, Xianying; Lin, Jianguo; Li, Yizhi; Zhu, Chengjian; Meng, Qingjin","Syntheses, structures and properties of a series of organic‒inorganic complexes based on methylenediisophthalic acid (H4MDIP)","CrystEngComm","2008","10","2","207","","10.1039/b709972j","","","0.71073","MoKα","","0.0914","0.0669","","","0.1352","0.1417","","","","","","1.032","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201565","14.013","0.002","15.329","0.003","15.464","0.003","67.147","0.002","65.165","0.002","83.999","0.003","2771.1","0.9","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C140 H90 N4 O18 Zn5 -","- C140 H90 N4 O18 Zn5 -","- C140 H90 N4 O18 Zn5 -","1","0.5","","Wang, Jun-Jie; Liu, Chun-Sen; Hu, Tong-Liang; Chang, Ze; Li, Cai-Yun; Yan, Li-Fen; Chen, Pei-Quan; Bu, Xian-He; Wu, Qiang; Zhao, Li-Juan; Wang, Zhe; Zhang, Xin-Zheng","Zinc(ii) coordination architectures with two bulky anthracene-based carboxylic ligands: crystal structures and luminescent properties","CrystEngComm","2008","10","6","681","","10.1039/b710209g","","","0.71073","MoKα","","0.0872","0.059","","","0.1591","0.1744","","","","","","1.18","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201566","13.9951","0.0002","7.7039","0.0001","23.5124","0.0003","90","","95.787","0.001","90","","2522.11","0.06","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 O7 Zn -","- C30 H24 O7 Zn -","- C120 H96 O28 Zn4 -","4","1","","Wang, Jun-Jie; Liu, Chun-Sen; Hu, Tong-Liang; Chang, Ze; Li, Cai-Yun; Yan, Li-Fen; Chen, Pei-Quan; Bu, Xian-He; Wu, Qiang; Zhao, Li-Juan; Wang, Zhe; Zhang, Xin-Zheng","Zinc(ii) coordination architectures with two bulky anthracene-based carboxylic ligands: crystal structures and luminescent properties","CrystEngComm","2008","10","6","681","","10.1039/b710209g","","","0.71073","MoKα","","0.0523","0.0317","","","0.0776","0.0828","","","","","","1.082","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201567","22.62","0.02","17.58","0.015","18.07","0.017","90","","115.734","0.013","90","","6473","10","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C84 H54 N4 O9 Zn2 -","- C84 H54 N4 O9 Zn2 -","- C336 H216 N16 O36 Zn8 -","4","0.5","","Wang, Jun-Jie; Liu, Chun-Sen; Hu, Tong-Liang; Chang, Ze; Li, Cai-Yun; Yan, Li-Fen; Chen, Pei-Quan; Bu, Xian-He; Wu, Qiang; Zhao, Li-Juan; Wang, Zhe; Zhang, Xin-Zheng","Zinc(ii) coordination architectures with two bulky anthracene-based carboxylic ligands: crystal structures and luminescent properties","CrystEngComm","2008","10","6","681","","10.1039/b710209g","","","0.7107","MoKα","","0.1359","0.1097","","","0.218","0.2341","","","","","","1.133","","","","has coordinates,has disorder","180346","2020-10-21","18:00:00",""
"7201568","24.168","0.003","11.574","0.0015","12.0378","0.0016","90","","94.489","0.002","90","","3356.9","0.7","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H34 N2 O6 Zn -","- C42 H34 N2 O6 Zn -","- C168 H136 N8 O24 Zn4 -","4","0.5","","Wang, Jun-Jie; Liu, Chun-Sen; Hu, Tong-Liang; Chang, Ze; Li, Cai-Yun; Yan, Li-Fen; Chen, Pei-Quan; Bu, Xian-He; Wu, Qiang; Zhao, Li-Juan; Wang, Zhe; Zhang, Xin-Zheng","Zinc(ii) coordination architectures with two bulky anthracene-based carboxylic ligands: crystal structures and luminescent properties","CrystEngComm","2008","10","6","681","","10.1039/b710209g","","","0.71073","MoKα","","0.0364","0.0297","","","0.074","0.0784","","","","","","1.062","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201569","16.442","0.002","17.697","0.003","27.528","0.004","90","","90","","90","","8010","2","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C46 H40 N2 O10 Zn -","- C46 H40 N2 O10 Zn -","- C368 H320 N16 O80 Zn8 -","8","1","","Wang, Jun-Jie; Liu, Chun-Sen; Hu, Tong-Liang; Chang, Ze; Li, Cai-Yun; Yan, Li-Fen; Chen, Pei-Quan; Bu, Xian-He; Wu, Qiang; Zhao, Li-Juan; Wang, Zhe; Zhang, Xin-Zheng","Zinc(ii) coordination architectures with two bulky anthracene-based carboxylic ligands: crystal structures and luminescent properties","CrystEngComm","2008","10","6","681","","10.1039/b710209g","","","0.7107","MoKα","","0.0576","0.0433","","","0.1077","0.1164","","","","","","1.104","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201570","9.6712","0.0002","26.8053","0.0004","13.5499","0.0002","90","","92.768","0.001","90","","3508.57","0.1","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H29 N4 O6 Zn -","- C44 H29 N4 O6 Zn -","- C176 H116 N16 O24 Zn4 -","4","1","","Wang, Jun-Jie; Liu, Chun-Sen; Hu, Tong-Liang; Chang, Ze; Li, Cai-Yun; Yan, Li-Fen; Chen, Pei-Quan; Bu, Xian-He; Wu, Qiang; Zhao, Li-Juan; Wang, Zhe; Zhang, Xin-Zheng","Zinc(ii) coordination architectures with two bulky anthracene-based carboxylic ligands: crystal structures and luminescent properties","CrystEngComm","2008","10","6","681","","10.1039/b710209g","","","0.71073","MoKα","","0.0411","0.0309","","","0.0805","0.084","","","","","","1.086","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201571","9.5311","0.0019","10.77","0.002","12.445","0.002","112.048","0.003","95.725","0.003","110.766","0.003","1066.4","0.3","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H17 N6 O2 Zn -","- C24 H17 N6 O2 Zn -","- C48 H34 N12 O4 Zn2 -","2","1","","Wang, Jun-Jie; Liu, Chun-Sen; Hu, Tong-Liang; Chang, Ze; Li, Cai-Yun; Yan, Li-Fen; Chen, Pei-Quan; Bu, Xian-He; Wu, Qiang; Zhao, Li-Juan; Wang, Zhe; Zhang, Xin-Zheng","Zinc(ii) coordination architectures with two bulky anthracene-based carboxylic ligands: crystal structures and luminescent properties","CrystEngComm","2008","10","6","681","","10.1039/b710209g","","","0.71073","MoKα","","0.0624","0.0432","","","0.1061","0.1204","","","","","","1.067","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201572","17.9347","0.0001","18.1877","0.0001","18.3414","0.0002","90","","90","","90","","5982.8","0.08","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H92 Er3 N9 O37 -","- C36 H92 Er3 N9 O37 -","- C144 H368 Er12 N36 O148 -","4","1","","Zhu, Xiandong; Ma, Zhen; Bi, Wenhua; Wang, Yuling; Yuan, Daqiang; Cao, Rong","Formation of a sandwich-type supercomplex through second-sphere coordination of functionalized macrocyclic polyamines","CrystEngComm","2008","10","1","19","","10.1039/b710633e","","","0.71073","MoKα","","0.0316","0.0274","","","0.0522","0.054","","","","","","1.152","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201573","6.3467","0.0016","12.237","0.003","13.363","0.004","97.447","0.003","93.032","0.003","95.62","0.003","1021.9","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H30 Cu2 N6 O20 S2 Sm2 -","- C34 H30 Cu2 N6 O20 S2 Sm2 -","- C34 H30 Cu2 N6 O20 S2 Sm2 -","1","0.5","","Bo, Qi-Bing; Sun, Zhong-Xi; Forsling, Willis","A new family of 3D 3d‒4f heterometallic frameworks comprising 1D inorganic lanthanide ladders and organic CuI-bipyridine chains","CrystEngComm","2008","10","2","232","","10.1039/b710786b","","","0.71073","MoKα","","0.0733","0.0664","","","0.1701","0.1782","","","","","","1.094","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201574","6.383","0.002","12.333","0.003","13.507","0.002","97.427","0.003","93.019","0.002","95.519","0.003","1047.2","0.4","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H30 Cu2 Eu2 N6 O20 S2 -","- C34 H30 Cu2 Eu2 N6 O20 S2 -","- C34 H30 Cu2 Eu2 N6 O20 S2 -","1","0.5","","Bo, Qi-Bing; Sun, Zhong-Xi; Forsling, Willis","A new family of 3D 3d‒4f heterometallic frameworks comprising 1D inorganic lanthanide ladders and organic CuI-bipyridine chains","CrystEngComm","2008","10","2","232","","10.1039/b710786b","","","0.71073","MoKα","","0.1051","0.096","","","0.2256","0.2315","","","","","","1.021","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201575","12.648","0.003","13.225","0.003","14.475","0.003","87.804","0.003","67.298","0.002","66.926","0.003","2036.7","0.8","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H30 Cu2 Gd2 N6 O20 S2 -","- C34 H30 Cu2 Gd2 N6 O20 S2 -","- C68 H60 Cu4 Gd4 N12 O40 S4 -","2","1","","Bo, Qi-Bing; Sun, Zhong-Xi; Forsling, Willis","A new family of 3D 3d‒4f heterometallic frameworks comprising 1D inorganic lanthanide ladders and organic CuI-bipyridine chains","CrystEngComm","2008","10","2","232","","10.1039/b710786b","","","0.71073","MoKα","","0.0781","0.05","","","0.1169","0.132","","","","","","0.999","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201576","12.632","0.006","13.234","0.007","14.431","0.007","87.7","0.006","67.347","0.006","66.628","0.005","2025.5","1.7","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H30 Cu2 Dy2 N6 O20 S2 -","- C34 H30 Cu2 Dy2 N6 O20 S2 -","- C68 H60 Cu4 Dy4 N12 O40 S4 -","2","1","","Bo, Qi-Bing; Sun, Zhong-Xi; Forsling, Willis","A new family of 3D 3d‒4f heterometallic frameworks comprising 1D inorganic lanthanide ladders and organic CuI-bipyridine chains","CrystEngComm","2008","10","2","232","","10.1039/b710786b","","","0.71073","MoKα","","0.088","0.0628","","","0.1582","0.1817","","","","","","1.009","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201577","12.624","0.002","13.208","0.003","14.457","0.003","87.744","0.002","67.324","0.002","66.785","0.002","2026","0.7","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H30 Cu2 N6 O20 S2 Tb2 -","- C34 H30 Cu2 N6 O20 S2 Tb2 -","- C68 H60 Cu4 N12 O40 S4 Tb4 -","2","1","","Bo, Qi-Bing; Sun, Zhong-Xi; Forsling, Willis","A new family of 3D 3d‒4f heterometallic frameworks comprising 1D inorganic lanthanide ladders and organic CuI-bipyridine chains","CrystEngComm","2008","10","2","232","","10.1039/b710786b","","","0.71073","MoKα","","0.0613","0.0418","","","0.1092","0.1282","","","","","","0.994","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201578","15.8279","0.0003","10.5692","0.0002","18.4677","0.0005","90","","90","","90","","3089.43","0.12","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C30 H36 Cu N6 O6 -","- C30 H36 Cu N6 O6 -","- C120 H144 Cu4 N24 O24 -","4","1","","Plater, M. John; Gelbrich, Thomas; Hursthouse, Michael B.; De Silva, Ben M.","Interpenetrating three-dimensional coordination networks with a rare 4-connected (65.8) topology and unusual geometrical features","CrystEngComm","2008","10","1","125","","10.1039/b711047b","","","0.71073","MoKα","","0.0396","0.0349","","","0.0865","0.0891","","","","","","0.989","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201579","15.7512","0.0002","10.2969","0.00015","18.7712","0.0002","90","","90","","90","","3044.47","0.07","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C30 H36 Co N6 O6 -","- C30 H36 Co N6 O6 -","- C120 H144 Co4 N24 O24 -","4","1","","Plater, M. John; Gelbrich, Thomas; Hursthouse, Michael B.; De Silva, Ben M.","Interpenetrating three-dimensional coordination networks with a rare 4-connected (65.8) topology and unusual geometrical features","CrystEngComm","2008","10","1","125","","10.1039/b711047b","","","0.71073","MoKα","","0.0304","0.0283","","","0.0732","0.0742","","","","","","1.024","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201580","16.0791","0.0002","10.1956","0.0002","18.9341","0.0003","90","","90","","90","","3103.98","0.09","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C30 H36 N6 Ni O6 -","- C30 H36 N6 Ni O6 -","- C120 H144 N24 Ni4 O24 -","4","1","","Plater, M. John; Gelbrich, Thomas; Hursthouse, Michael B.; De Silva, Ben M.","Interpenetrating three-dimensional coordination networks with a rare 4-connected (65.8) topology and unusual geometrical features","CrystEngComm","2008","10","1","125","","10.1039/b711047b","","","0.71073","MoKα","","0.0374","0.0324","","","0.0821","0.0842","","","","","","1.044","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201581","10.1288","0.0006","21.0031","0.0014","16.3702","0.001","90","","90.961","0.002","90","","3482","0.4","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C68 H90 Cu2 N12 O13 -","- C68 H88 Cu2 N12 O13 -","- C136 H176 Cu4 N24 O26 -","2","1","","Plater, M. John; Gelbrich, Thomas; Hursthouse, Michael B.; De Silva, Ben M.","Interpenetrating three-dimensional coordination networks with a rare 4-connected (65.8) topology and unusual geometrical features","CrystEngComm","2008","10","1","125","","10.1039/b711047b","","","0.71073","MoKα","","0.1517","0.0972","","","0.1741","0.1855","","","","","","1.206","","","","has coordinates,has disorder","180346","2020-10-21","18:00:00",""
"7201582","5.0866","","11.7731","","5.4595","","90","","111.99","","90","","303.157","","","","23","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","α-Glycine","","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C8 H20 N4 O8 -","4","1","","Netzel, Jeanette; Hofmann, Andreas; van Smaalen, Sander","Accurate charge density of α-glycine by the maximum entropy method","CrystEngComm","2008","10","3","335","","10.1039/b711064b","","","0.71069","MoKα","","0.026","0.0233","","","0.0525","0.0535","","","","2.02","2.02","1.96","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201583","8.3067","0.0009","9.7312","0.0012","10.7272","0.0013","90","","106.181","0.008","90","","832.77","0.17","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C5 H6 O7 U -","- C5 H6 O7 U -","- C20 H24 O28 U4 -","4","2","","Thuéry, Pierre","Novel two-dimensional uranyl‒organic assemblages in the citrate and d(‒)-citramalate families","CrystEngComm","2008","10","1","79","","10.1039/b711273d","","","0.71073","MoKα","","0.0384","0.0342","","","0.0815","0.0837","","","","","","1.025","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201584","8.498","0.0003","9.2992","0.0004","13.2045","0.0006","86.048","0.002","87.745","0.003","88.381","0.003","1039.85","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H56 N2 O24 U3 -","- C28 H56 N2 O24 U3 -","- C28 H56 N2 O24 U3 -","1","0.5","","Thuéry, Pierre","Novel two-dimensional uranyl‒organic assemblages in the citrate and d(‒)-citramalate families","CrystEngComm","2008","10","1","79","","10.1039/b711273d","","","0.71073","MoKα","","0.0232","0.0204","","","0.0482","0.0489","","","","","","1.056","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201585","10.0669","0.0005","29.4919","0.0013","11.1076","0.0006","90","","107.873","0.003","90","","3138.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 N2 O21 U3 -","- C22 H22 N2 O21 U3 -","- C88 H88 N8 O84 U12 -","4","1","","Thuéry, Pierre","Novel two-dimensional uranyl‒organic assemblages in the citrate and d(‒)-citramalate families","CrystEngComm","2008","10","1","79","","10.1039/b711273d","","","0.71073","MoKα","","0.0445","0.0324","","","0.0775","0.0806","","","","","","1.032","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201586","36.017","0.01","30.88","0.01","36.183","0.015","90","","93.66","0.03","90","","40161","2","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C132 H126 Fe2 O39 S96 -","- C132 H96 Fe2 O39 S96 -","- C1056 H768 Fe16 O312 S768 -","8","1","","Martin, Lee; Day, Peter; Barnett, Sarah A.; Tocher, Derek A.; Horton, Peter N.; Hursthouse, Mike B.","Magnetic molecular charge-transfer salts containing layers of water and tris(oxalato)ferrate(iii) anions","CrystEngComm","2008","10","2","192","","10.1039/b711325k","","","0.71073","MoKα","","0.1574","0.0842","","","0.1898","0.2283","","","","","","1.04","","","","has coordinates,has disorder","180346","2020-10-21","18:00:00",""
"7201587","17.9695","0.0015","15.4988","0.0013","36.115","0.003","90","","93.72","0.002","90","","10037","1.5","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","{(FeO12C6)(C10H8S8)6}.(H2O)8","{(FeO12C6)(C10H8S8)6}.(H2O)8","","- C66 H64 Fe O20 S48 -","- C66 Fe O20 S48 -","- C264 Fe4 O80 S192 -","4","0.5","","Martin, Lee; Day, Peter; Barnett, Sarah A.; Tocher, Derek A.; Horton, Peter N.; Hursthouse, Mike B.","Magnetic molecular charge-transfer salts containing layers of water and tris(oxalato)ferrate(iii) anions","CrystEngComm","2008","10","2","192","","10.1039/b711325k","","","0.71073","MoKα","","0.1121","0.0673","","","0.1676","0.1971","","","","","","1.023","","","","has coordinates,has disorder","180346","2020-10-21","18:00:00",""
"7201588","8.4727","0.0004","14.4634","0.0007","18.4388","0.001","90","","94.748","0.001","90","","2251.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 Co N6 O8 -","- C20 H22 Co N6 O8 -","- C80 H88 Co4 N24 O32 -","4","1","","Du, Miao; Zhang, Zhi-Hui; You, Yan-Ping; Zhao, Xiao-Jun","R-Isophthalate (R = ‒H, ‒NO2, and ‒COOH) as modular building blocks for mixed-ligand coordination polymers incorporated with a versatile connector 4-amino-3,5-bis(3-pyridyl)-1,2,4-triazole","CrystEngComm","2008","10","3","306","","10.1039/b711447h","","","0.71073","MoKα","","0.0335","0.0249","","","0.0646","0.0681","","","","","","1.044","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201589","8.335","0.004","10.926","0.005","13.175","0.006","102.845","0.005","99.713","0.005","92.635","0.006","1148.7","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H19 Co N7 O9 -","- C20 H19 Co N7 O9 -","- C40 H38 Co2 N14 O18 -","2","1","","Du, Miao; Zhang, Zhi-Hui; You, Yan-Ping; Zhao, Xiao-Jun","R-Isophthalate (R = ‒H, ‒NO2, and ‒COOH) as modular building blocks for mixed-ligand coordination polymers incorporated with a versatile connector 4-amino-3,5-bis(3-pyridyl)-1,2,4-triazole","CrystEngComm","2008","10","3","306","","10.1039/b711447h","","","0.71073","MoKα","","0.0318","0.027","","","0.072","0.0737","","","","","","1.056","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201590","7.7168","0.0009","8.8342","0.001","18.14","0.002","96.125","0.002","101.533","0.002","109.272","0.001","1123.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H42 Co N12 O18 -","- C42 H42 Co N12 O18 -","- C42 H42 Co N12 O18 -","1","0.5","","Du, Miao; Zhang, Zhi-Hui; You, Yan-Ping; Zhao, Xiao-Jun","R-Isophthalate (R = ‒H, ‒NO2, and ‒COOH) as modular building blocks for mixed-ligand coordination polymers incorporated with a versatile connector 4-amino-3,5-bis(3-pyridyl)-1,2,4-triazole","CrystEngComm","2008","10","3","306","","10.1039/b711447h","","","0.71073","MoKα","","0.0414","0.0337","","","0.0866","0.0902","","","","","","1.041","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201591","9.0733","0.0005","10.0843","0.0005","12.3969","0.0007","66.846","0.001","89.438","0.002","79.388","0.001","1022.62","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 Cu N6 O6 -","- C20 H18 Cu N6 O6 -","- C40 H36 Cu2 N12 O12 -","2","1","","Du, Miao; Zhang, Zhi-Hui; You, Yan-Ping; Zhao, Xiao-Jun","R-Isophthalate (R = ‒H, ‒NO2, and ‒COOH) as modular building blocks for mixed-ligand coordination polymers incorporated with a versatile connector 4-amino-3,5-bis(3-pyridyl)-1,2,4-triazole","CrystEngComm","2008","10","3","306","","10.1039/b711447h","","","0.71073","MoKα","","0.0298","0.0271","","","0.0714","0.0728","","","","","","1.047","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201592","15.987","0.005","16.865","0.005","18.229","0.006","95.956","0.005","95.262","0.004","110.902","0.005","4523","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H76 Cu4 N28 O36 -","- C80 H70 Cu4 N28 O36 -","- C160 H140 Cu8 N56 O72 -","2","1","","Du, Miao; Zhang, Zhi-Hui; You, Yan-Ping; Zhao, Xiao-Jun","R-Isophthalate (R = ‒H, ‒NO2, and ‒COOH) as modular building blocks for mixed-ligand coordination polymers incorporated with a versatile connector 4-amino-3,5-bis(3-pyridyl)-1,2,4-triazole","CrystEngComm","2008","10","3","306","","10.1039/b711447h","","","0.71073","MoKα","","0.1239","0.0588","","","0.1322","0.1586","","","","","","0.999","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201593","7.685","0.006","14.817","0.012","18.713","0.015","90","","93.509","0.012","90","","2127","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 Cu N6 O8 -","- C21 H18 Cu N6 O8 -","- C84 H72 Cu4 N24 O32 -","4","1","","Du, Miao; Zhang, Zhi-Hui; You, Yan-Ping; Zhao, Xiao-Jun","R-Isophthalate (R = ‒H, ‒NO2, and ‒COOH) as modular building blocks for mixed-ligand coordination polymers incorporated with a versatile connector 4-amino-3,5-bis(3-pyridyl)-1,2,4-triazole","CrystEngComm","2008","10","3","306","","10.1039/b711447h","","","0.71073","MoKα","","0.0524","0.0379","","","0.0978","0.1057","","","","","","1.041","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201594","7.3188","0.0006","10.3043","0.0008","14.2348","0.0011","104.88","0.001","92.569","0.001","92.138","0.002","1035.15","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H19 Cd N6 O6.5 -","- C20 H18 Cd N6 O6.5 -","- C40 H36 Cd2 N12 O13 -","2","1","","Du, Miao; Zhang, Zhi-Hui; You, Yan-Ping; Zhao, Xiao-Jun","R-Isophthalate (R = ‒H, ‒NO2, and ‒COOH) as modular building blocks for mixed-ligand coordination polymers incorporated with a versatile connector 4-amino-3,5-bis(3-pyridyl)-1,2,4-triazole","CrystEngComm","2008","10","3","306","","10.1039/b711447h","","","0.71073","MoKα","","0.0212","0.0197","","","0.0524","0.0529","","","","","","1.064","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201595","9.1396","0.0016","13.754","0.002","18.779","0.003","78.625","0.002","87.997","0.002","84.394","0.001","2302.9","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H38 Cd2 N14 O18 -","- C40 H36 Cd2 N14 O18 -","- C80 H72 Cd4 N28 O36 -","2","1","","Du, Miao; Zhang, Zhi-Hui; You, Yan-Ping; Zhao, Xiao-Jun","R-Isophthalate (R = ‒H, ‒NO2, and ‒COOH) as modular building blocks for mixed-ligand coordination polymers incorporated with a versatile connector 4-amino-3,5-bis(3-pyridyl)-1,2,4-triazole","CrystEngComm","2008","10","3","306","","10.1039/b711447h","","","0.71073","MoKα","","0.06","0.0388","","","0.1005","0.1087","","","","","","1.053","","","","has coordinates,has disorder","180346","2020-10-21","18:00:00",""
"7201596","22.16","0.004","19.009","0.003","13.457","0.002","90","","124.142","0.002","90","","4691.6","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H22 Cd N6 O10 -","- C21 H18 Cd N6 O10 -","- C168 H144 Cd8 N48 O80 -","8","1","","Du, Miao; Zhang, Zhi-Hui; You, Yan-Ping; Zhao, Xiao-Jun","R-Isophthalate (R = ‒H, ‒NO2, and ‒COOH) as modular building blocks for mixed-ligand coordination polymers incorporated with a versatile connector 4-amino-3,5-bis(3-pyridyl)-1,2,4-triazole","CrystEngComm","2008","10","3","306","","10.1039/b711447h","","","0.71073","MoKα","","0.0488","0.0383","","","0.1017","0.1086","","","","","","1.041","","","","has coordinates,has disorder","180346","2020-10-21","18:00:00",""
"7201597","9.696","0.001","19.241","0.0019","7.2146","0.0007","90","","107.827","0.003","90","","1281.3","0.2","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1","","","- C12 H6 Ba N2 O5 -","- C12 H6 Ba N2 O5 -","- C48 H24 Ba4 N8 O20 -","4","1","","Kelly, Niamh R.; Goetz, Sandrine; Batten, Stuart R.; Kruger, Paul E.","Coordination behaviour and network formation with 4,4′,6,6′-tetracarboxy-2,2′-bipyridine and 4,4′-dicarboxy-2,2′-bipyridine ligands with rare and alkaline earth metals","CrystEngComm","2008","10","1","68","","10.1039/b711469a","","","0.71073","MoKα","","0.0746","0.0694","","","0.1825","0.1864","","","","","","1.082","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201598","17.2837","0.0014","9.9314","0.0008","7.0022","0.0006","90","","97.464","0.002","90","","1191.75","0.17","153","2","153","2","","","","","","","","5","C 1 c 1","C -2yc","9","2","","","- C12 H8 N2 O5 Sr -","- C12 H6 N2 O5 Sr -","- C48 H24 N8 O20 Sr4 -","4","1","","Kelly, Niamh R.; Goetz, Sandrine; Batten, Stuart R.; Kruger, Paul E.","Coordination behaviour and network formation with 4,4′,6,6′-tetracarboxy-2,2′-bipyridine and 4,4′-dicarboxy-2,2′-bipyridine ligands with rare and alkaline earth metals","CrystEngComm","2008","10","1","68","","10.1039/b711469a","","","0.71073","MoKα","","0.0365","0.0357","","","0.0863","0.0865","","","","","","1.107","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201599","27.5898","0.0011","9.7108","0.0004","13.2117","0.0005","90","","117.092","0.001","90","","3151.3","0.2","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","3","","","- C14 H8 Ba2 N2 O10 -","- C14 H8 Ba2 N2 O10 -","- C112 H64 Ba16 N16 O80 -","8","1","","Kelly, Niamh R.; Goetz, Sandrine; Batten, Stuart R.; Kruger, Paul E.","Coordination behaviour and network formation with 4,4′,6,6′-tetracarboxy-2,2′-bipyridine and 4,4′-dicarboxy-2,2′-bipyridine ligands with rare and alkaline earth metals","CrystEngComm","2008","10","1","68","","10.1039/b711469a","","","0.71073","MoKα","","0.0255","0.0227","","","0.0547","0.0558","","","","","","1.058","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201600","9.2075","0.0006","9.6199","0.0006","10.2189","0.0007","107.787","0.001","91.857","0.001","115.389","0.001","764.46","0.09","153","2","153","2","","","","","","","","6","P -1","-P 1","2","4","","","- C14 H10 Cu N2 O11 Sr -","- C14 H10 Cu N2 O11 Sr -","- C28 H20 Cu2 N4 O22 Sr2 -","2","1","","Kelly, Niamh R.; Goetz, Sandrine; Batten, Stuart R.; Kruger, Paul E.","Coordination behaviour and network formation with 4,4′,6,6′-tetracarboxy-2,2′-bipyridine and 4,4′-dicarboxy-2,2′-bipyridine ligands with rare and alkaline earth metals","CrystEngComm","2008","10","1","68","","10.1039/b711469a","","","0.71073","MoKα","","0.0445","0.0336","","","0.0769","0.0808","","","","","","1.042","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201601","9.0649","0.0013","7.1645","0.0011","11.7296","0.0017","90","","102.472","0.003","90","","743.81","0.19","153","2","153","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","2","","","- C14 H12 N2 O10 -","- C14 H12 N2 O10 -","- C28 H24 N4 O20 -","2","0.5","","Kelly, Niamh R.; Goetz, Sandrine; Batten, Stuart R.; Kruger, Paul E.","Coordination behaviour and network formation with 4,4′,6,6′-tetracarboxy-2,2′-bipyridine and 4,4′-dicarboxy-2,2′-bipyridine ligands with rare and alkaline earth metals","CrystEngComm","2008","10","1","68","","10.1039/b711469a","","","0.71073","MoKα","","0.0658","0.043","","","0.1099","0.1221","","","","","","1.021","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201602","10.2706","0.0009","10.8551","0.0009","16.487","0.0014","99.169","0.002","103.656","0.002","94.272","0.002","1751.2","0.3","153","2","153","2","","","","","","","","5","P -1","-P 1","2","3","","","- C33 H29 N4 O19 Yb -","- C33 H29 N4 O19 Yb -","- C66 H58 N8 O38 Yb2 -","2","1","","Kelly, Niamh R.; Goetz, Sandrine; Batten, Stuart R.; Kruger, Paul E.","Coordination behaviour and network formation with 4,4′,6,6′-tetracarboxy-2,2′-bipyridine and 4,4′-dicarboxy-2,2′-bipyridine ligands with rare and alkaline earth metals","CrystEngComm","2008","10","1","68","","10.1039/b711469a","","","0.71073","MoKα","","0.0622","0.0458","","","0.0927","0.0978","","","","","","1.044","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201603","10.4424","0.0006","12.9331","0.0007","15.4313","0.0009","79.426","0.001","87.329","0.002","74.204","0.001","1971.27","0.19","153","2","153","2","","","","","","","","6","P -1","-P 1","2","6","","","- C72 H74 Cu N8 O42 Yb2 -","- C72 H74 Cu N8 O42 Yb2 -","- C72 H74 Cu N8 O42 Yb2 -","1","0.5","","Kelly, Niamh R.; Goetz, Sandrine; Batten, Stuart R.; Kruger, Paul E.","Coordination behaviour and network formation with 4,4′,6,6′-tetracarboxy-2,2′-bipyridine and 4,4′-dicarboxy-2,2′-bipyridine ligands with rare and alkaline earth metals","CrystEngComm","2008","10","1","68","","10.1039/b711469a","","","0.71073","MoKα","","0.0632","0.0433","","","0.0934","0.101","","","","","","0.995","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201604","13.5903","0.0004","15.1186","0.0006","18.8621","0.0007","101.383","0.002","99.6841","0.0019","95.3548","0.0017","3712.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H106 N102 O17 Zn17 -","- C68 H74 N102.02 O17 Zn17 -","- C68 H74 N102.02 O17 Zn17 -","1","0.5","","Yue, Yan-Feng; Gao, En-Qing; Fang, Chen-Jie; Zheng, Tao; Liang, Jue; Yan, Chun-Hua","The crystal structures of four azido-bridged Zn(ii) complexes based on open-chain diazine Schiff-base ligands","CrystEngComm","2008","10","5","614","","10.1039/b711831g","","","0.71073","MoKα","","0.1046","0.0552","","","0.1474","0.1666","","","","","","0.984","","","","has coordinates,has disorder","180347","2020-10-21","18:00:00",""
"7201605","10.6683","0.0002","10.2683","0.0002","18.9476","0.0007","90","","117.949","0.003","90","","1833.53","0.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 N14 Zn2 -","- C13 H11 N14 Zn2 -","- C52 H44 N56 Zn8 -","4","1","","Yue, Yan-Feng; Gao, En-Qing; Fang, Chen-Jie; Zheng, Tao; Liang, Jue; Yan, Chun-Hua","The crystal structures of four azido-bridged Zn(ii) complexes based on open-chain diazine Schiff-base ligands","CrystEngComm","2008","10","5","614","","10.1039/b711831g","","","0.71073","MoKα","","0.077","0.0457","","","0.1194","0.1266","","","","","","1.08","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201606","10.5173","0.0003","10.083","0.0003","19.5632","0.0007","90","","116.835","0.0014","90","","1851.18","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 N15 O Zn2 -","- C12 H8 N15 O Zn2 -","- C48 H32 N60 O4 Zn8 -","4","1","","Yue, Yan-Feng; Gao, En-Qing; Fang, Chen-Jie; Zheng, Tao; Liang, Jue; Yan, Chun-Hua","The crystal structures of four azido-bridged Zn(ii) complexes based on open-chain diazine Schiff-base ligands","CrystEngComm","2008","10","5","614","","10.1039/b711831g","","","0.71073","MoKα","","0.1297","0.0404","","","0.0831","0.0973","","","","","","0.88","","","","has coordinates,has disorder","180347","2020-10-21","18:00:00",""
"7201607","15.3383","0.0004","13.3717","0.0004","17.5628","0.0006","90","","100.724","0.0016","90","","3539.21","0.19","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H10 N14 S Zn2 -","- C11 H9 N14 S Zn2 -","- C88 H72 N112 S8 Zn16 -","8","1","","Yue, Yan-Feng; Gao, En-Qing; Fang, Chen-Jie; Zheng, Tao; Liang, Jue; Yan, Chun-Hua","The crystal structures of four azido-bridged Zn(ii) complexes based on open-chain diazine Schiff-base ligands","CrystEngComm","2008","10","5","614","","10.1039/b711831g","","","0.71073","MoKα","","0.1261","0.0428","","","0.0949","0.1083","","","","","","0.911","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201608","10.5816","0.0008","14.0388","0.001","14.5487","0.0012","90","","94.38","0.005","90","","2154.9","0.3","123","1","123","1","","","","","","","","5","C 1 c 1","C -2yc","9","[Cu(O2CCCCO2)(3,5-Me2Py)(MeOH)].MeOH","[Cu(O2CCCCO2)(3,5-Me2Py)(MeOH)].MeOH","","- C20 H26 Cu N2 O6 -","- C20 H26 Cu N2 O6 -","- C80 H104 Cu4 N8 O24 -","4","1","","Turner, David R.; Strachan-Hatton, Joshua; Batten, Stuart R.","Steric control of 4-connected network topology in hydrogen bonded coordination polymers","CrystEngComm","2008","10","1","34","","10.1039/b711891k","","","0.71073","MoKα","","0.0747","0.0483","","","0.1027","0.113","","","","","","1.017","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201609","7.8631","0.0002","14.278","0.0003","14.3028","0.0003","90","","104.829","0.001","90","","1552.28","0.06","123","1","123","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Cu(O2CCCCO2)(py)2(MeOH)","[acetylenedicarboxylato-methanol-bis-pyridine-copper(II)]","","- C15 H14 Cu N2 O5 -","- C15 H14 Cu N2 O5 -","- C60 H56 Cu4 N8 O20 -","4","1","","Turner, David R.; Strachan-Hatton, Joshua; Batten, Stuart R.","Steric control of 4-connected network topology in hydrogen bonded coordination polymers","CrystEngComm","2008","10","1","34","","10.1039/b711891k","","","0.71073","MoKα","","0.0398","0.031","","","0.0707","0.0741","","","","","","1.052","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201612","7.6519","0.0015","11.885","0.002","13.594","0.003","69.47","0.03","79.83","0.03","82.01","0.03","1135.6","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H40 Co2 N8 O20 -","- C46 H40 Co2 N8 O20 -","- C46 H40 Co2 N8 O20 -","1","0.5","","Che, Guang-Bo; Liu, Chun-Bo; Liu, Bo; Wang, Qing-Wei; Xu, Zhan-Lin","Syntheses, structures and photoluminescence of a series of metal-organic complexes with 1,3,5-benzenetricarboxylate and pyrazino[2,3-f][1,10]-phenanthroline ligands","CrystEngComm","2008","10","2","184","","10.1039/b712015j","","","0.71073","MoKα","","0.0633","0.0439","","","0.1018","0.1099","","","","","","1.049","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201613","16.16","0.005","13.073","0.004","18.365","0.005","90","","90","","90","","3880","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H14 Mn N4 O7 -","- C23 H14 Mn N4 O7 -","- C184 H112 Mn8 N32 O56 -","8","1","","Che, Guang-Bo; Liu, Chun-Bo; Liu, Bo; Wang, Qing-Wei; Xu, Zhan-Lin","Syntheses, structures and photoluminescence of a series of metal-organic complexes with 1,3,5-benzenetricarboxylate and pyrazino[2,3-f][1,10]-phenanthroline ligands","CrystEngComm","2008","10","2","184","","10.1039/b712015j","","","0.71073","MoKα","","0.0647","0.0406","","","0.0961","0.1076","","","","","","1.024","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201614","10.243","0.002","11.406","0.002","15.414","0.003","74.56","0.03","70.73","0.03","85.23","0.03","1638.6","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H22 Cd2 N8 O8 -","- C37 H22 Cd2 N8 O8 -","- C74 H44 Cd4 N16 O16 -","2","1","","Che, Guang-Bo; Liu, Chun-Bo; Liu, Bo; Wang, Qing-Wei; Xu, Zhan-Lin","Syntheses, structures and photoluminescence of a series of metal-organic complexes with 1,3,5-benzenetricarboxylate and pyrazino[2,3-f][1,10]-phenanthroline ligands","CrystEngComm","2008","10","2","184","","10.1039/b712015j","","","0.71073","MoKα","","0.0448","0.0333","","","0.076","0.0819","","","","","","1.038","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201615","9.4403","0.0019","14.647","0.003","15.286","0.003","90","","101.39","0.03","90","","2072","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H12 Cu2 N4 O7 -","- C23 H12 Cu2 N4 O7 -","- C92 H48 Cu8 N16 O28 -","4","1","","Che, Guang-Bo; Liu, Chun-Bo; Liu, Bo; Wang, Qing-Wei; Xu, Zhan-Lin","Syntheses, structures and photoluminescence of a series of metal-organic complexes with 1,3,5-benzenetricarboxylate and pyrazino[2,3-f][1,10]-phenanthroline ligands","CrystEngComm","2008","10","2","184","","10.1039/b712015j","","","0.71073","MoKα","","0.0344","0.0275","","","0.0776","0.0865","","","","","","1.174","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201616","9.4496","0.0019","14.686","0.003","15.217","0.003","90","","101.15","0.03","90","","2071.9","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H12 N4 O7 Zn2 -","- C23 H12 N4 O7 Zn2 -","- C92 H48 N16 O28 Zn8 -","4","1","","Che, Guang-Bo; Liu, Chun-Bo; Liu, Bo; Wang, Qing-Wei; Xu, Zhan-Lin","Syntheses, structures and photoluminescence of a series of metal-organic complexes with 1,3,5-benzenetricarboxylate and pyrazino[2,3-f][1,10]-phenanthroline ligands","CrystEngComm","2008","10","2","184","","10.1039/b712015j","","","0.71073","MoKα","","0.0376","0.0285","","","0.0636","0.0669","","","","","","1.03","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201617","7.268","0.003","20.93","0.008","10.365","0.004","90","","108.032","0.005","90","","1499.3","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H30 Co N6 O12 -","- C30 H30 Co N6 O12 -","- C60 H60 Co2 N12 O24 -","2","0.5","","Braverman, Maxwell A.; LaDuca, Robert L.","Hydrothermal synthesis of divalent metal pyromellitate/dipyridylamine complexes: From an unprecedented supramolecular three-dimensional topology to an anionic coordination polymer framework with large incipient cation-bearing voids","CrystEngComm","2008","10","1","117","","10.1039/b712182b","","","0.71073","MoKα","","0.0405","0.0347","","","0.0832","0.0863","","","","","","1.031","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201618","11.5837","0.0013","14.7422","0.0017","11.6194","0.0013","90","","102.319","0.002","90","","1938.5","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 N3 O10 Zn -","- C20 H17 N3 O10 Zn -","- C80 H68 N12 O40 Zn4 -","4","1","","Braverman, Maxwell A.; LaDuca, Robert L.","Hydrothermal synthesis of divalent metal pyromellitate/dipyridylamine complexes: From an unprecedented supramolecular three-dimensional topology to an anionic coordination polymer framework with large incipient cation-bearing voids","CrystEngComm","2008","10","1","117","","10.1039/b712182b","","","0.71073","MoKα","","0.0403","0.032","","","0.0746","0.0778","","","","","","1.099","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201619","10.464","0.002","10.607","0.002","11.353","0.002","83.08","0.03","74.54","0.03","69.67","0.03","1138.3","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H32 Cu Gd2 N4 O34 -","- C32 H20 Cu Gd2 N4 O34 -","- C32 H20 Cu Gd2 N4 O34 -","1","0.5","","Ye, Junwei; Liu, Yu; Zhao, Yunfeng; Mu, Xiaoyue; Zhang, Ping; Wang, Yue","Porous lanthanide‒copper coordination frameworks exhibiting reversible single-crystal-to-single-crystal transformation based on variable coordination number and geometry","CrystEngComm","2008","10","5","598","","10.1039/b712280b","","","0.71073","MoKα","","0.0277","0.0265","","","0.0957","0.0992","","","","","","1.026","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201620","9.815","0.002","10.285","0.002","10.957","0.002","70.75","0.03","85.05","0.03","71.09","0.03","987.6","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H16 Cu Gd2 N4 O26 -","- C32 H16 Cu Gd2 N4 O26 -","- C32 H16 Cu Gd2 N4 O26 -","1","0.5","","Ye, Junwei; Liu, Yu; Zhao, Yunfeng; Mu, Xiaoyue; Zhang, Ping; Wang, Yue","Porous lanthanide‒copper coordination frameworks exhibiting reversible single-crystal-to-single-crystal transformation based on variable coordination number and geometry","CrystEngComm","2008","10","5","598","","10.1039/b712280b","","","0.71073","MoKα","","0.0832","0.0704","","","0.1866","0.2011","","","","","","1.071","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201621","10.414","0.002","10.615","0.002","11.317","0.002","83.45","0.03","75.04","0.03","69.61","0.03","1132.5","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H32 Cu Ho2 N4 O34 -","- C32 H20 Cu Ho2 N4 O34 -","- C32 H20 Cu Ho2 N4 O34 -","1","0.5","","Ye, Junwei; Liu, Yu; Zhao, Yunfeng; Mu, Xiaoyue; Zhang, Ping; Wang, Yue","Porous lanthanide‒copper coordination frameworks exhibiting reversible single-crystal-to-single-crystal transformation based on variable coordination number and geometry","CrystEngComm","2008","10","5","598","","10.1039/b712280b","","","0.71073","MoKα","","0.0312","0.0293","","","0.0861","0.0941","","","","","","1.042","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201622","9.795","0.002","10.221","0.002","10.94","0.002","70.8","0.03","84.87","0.03","71.5","0.03","980.7","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H16 Cu Ho2 N4 O26 -","- C32 H16 Cu Ho2 N4 O26 -","- C32 H16 Cu Ho2 N4 O26 -","1","0.5","","Ye, Junwei; Liu, Yu; Zhao, Yunfeng; Mu, Xiaoyue; Zhang, Ping; Wang, Yue","Porous lanthanide‒copper coordination frameworks exhibiting reversible single-crystal-to-single-crystal transformation based on variable coordination number and geometry","CrystEngComm","2008","10","5","598","","10.1039/b712280b","","","0.71073","MoKα","","0.0619","0.0574","","","0.1676","0.1717","","","","","","1.061","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201623","10.5","0.002","10.635","0.002","11.373","0.002","82.98","0.03","74.42","0.03","69.6","0.03","1146","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H32 Cu Eu2 N4 O34 -","- C32 H20 Cu Eu2 N4 O34 -","- C32 H20 Cu Eu2 N4 O34 -","1","0.5","","Ye, Junwei; Liu, Yu; Zhao, Yunfeng; Mu, Xiaoyue; Zhang, Ping; Wang, Yue","Porous lanthanide‒copper coordination frameworks exhibiting reversible single-crystal-to-single-crystal transformation based on variable coordination number and geometry","CrystEngComm","2008","10","5","598","","10.1039/b712280b","","","0.71073","MoKα","","0.0322","0.0299","","","0.0908","0.0975","","","","","","1.15","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201624","9.838","0.002","10.222","0.002","11.026","0.002","71.83","0.03","84.19","0.03","71.53","0.03","999.3","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H16 Cu Eu2 N4 O26 -","- C32 H16 Cu Eu2 N4 O26 -","- C32 H16 Cu Eu2 N4 O26 -","1","0.5","","Ye, Junwei; Liu, Yu; Zhao, Yunfeng; Mu, Xiaoyue; Zhang, Ping; Wang, Yue","Porous lanthanide‒copper coordination frameworks exhibiting reversible single-crystal-to-single-crystal transformation based on variable coordination number and geometry","CrystEngComm","2008","10","5","598","","10.1039/b712280b","","","0.71073","MoKα","","0.0845","0.0777","","","0.207","0.213","","","","","","1.072","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201625","10.528","0.002","10.671","0.002","11.378","0.002","83.14","0.03","74.61","0.03","69.34","0.03","1152.7","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H32 Cu N4 O34 Sm2 -","- C32 H20 Cu N4 O34 Sm2 -","- C32 H20 Cu N4 O34 Sm2 -","1","0.5","","Ye, Junwei; Liu, Yu; Zhao, Yunfeng; Mu, Xiaoyue; Zhang, Ping; Wang, Yue","Porous lanthanide‒copper coordination frameworks exhibiting reversible single-crystal-to-single-crystal transformation based on variable coordination number and geometry","CrystEngComm","2008","10","5","598","","10.1039/b712280b","","","0.71073","MoKα","","0.0347","0.0331","","","0.1209","0.1218","","","","","","1.052","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201626","9.849","0.002","10.341","0.002","10.999","0.002","70.72","0.03","84.8","0.03","70.78","0.03","998.3","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H16 Cu N4 O26 Sm2 -","- C32 H16 Cu N4 O26 Sm2 -","- C32 H16 Cu N4 O26 Sm2 -","1","0.5","","Ye, Junwei; Liu, Yu; Zhao, Yunfeng; Mu, Xiaoyue; Zhang, Ping; Wang, Yue","Porous lanthanide‒copper coordination frameworks exhibiting reversible single-crystal-to-single-crystal transformation based on variable coordination number and geometry","CrystEngComm","2008","10","5","598","","10.1039/b712280b","","","0.71073","MoKα","","0.0703","0.0661","","","0.1739","0.178","","","","","","1.028","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201627","10.546","0.002","10.653","0.002","11.422","0.002","82.68","0.03","74.1","0.03","69.42","0.03","1154.7","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H32 Cu N4 Nd2 O34 -","- C32 H20 Cu N4 Nd2 O34 -","- C32 H20 Cu N4 Nd2 O34 -","1","0.5","","Ye, Junwei; Liu, Yu; Zhao, Yunfeng; Mu, Xiaoyue; Zhang, Ping; Wang, Yue","Porous lanthanide‒copper coordination frameworks exhibiting reversible single-crystal-to-single-crystal transformation based on variable coordination number and geometry","CrystEngComm","2008","10","5","598","","10.1039/b712280b","","","0.71073","MoKα","","0.0393","0.0365","","","0.095","0.0963","","","","","","1.095","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201628","9.849","0.002","10.44","0.002","11.057","0.002","70.65","0.03","84.44","0.03","70.73","0.03","1012.5","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H16 Cu N4 Nd2 O26 -","- C32 H16 Cu N4 Nd2 O26 -","- C32 H16 Cu N4 Nd2 O26 -","1","0.5","","Ye, Junwei; Liu, Yu; Zhao, Yunfeng; Mu, Xiaoyue; Zhang, Ping; Wang, Yue","Porous lanthanide‒copper coordination frameworks exhibiting reversible single-crystal-to-single-crystal transformation based on variable coordination number and geometry","CrystEngComm","2008","10","5","598","","10.1039/b712280b","","","0.71073","MoKα","","0.0949","0.0861","","","0.1988","0.2053","","","","","","0.987","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201629","10.399","0.002","10.606","0.002","11.3","0.002","83.5","0.03","75.15","0.03","69.62","0.03","1128.9","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H32 Cu Er2 N4 O34 -","- C32 H20 Cu Er2 N4 O34 -","- C32 H20 Cu Er2 N4 O34 -","1","0.5","","Ye, Junwei; Liu, Yu; Zhao, Yunfeng; Mu, Xiaoyue; Zhang, Ping; Wang, Yue","Porous lanthanide‒copper coordination frameworks exhibiting reversible single-crystal-to-single-crystal transformation based on variable coordination number and geometry","CrystEngComm","2008","10","5","598","","10.1039/b712280b","","","0.71073","MoKα","","0.0319","0.031","","","0.0981","0.1005","","","","","","1.028","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201630","9.779","0.002","10.195","0.002","10.951","0.002","70.27","0.03","86.24","0.03","71.41","0.03","973","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H16 Cu Er2 N4 O26 -","- C32 H16 Cu Er2 N4 O26 -","- C32 H16 Cu Er2 N4 O26 -","1","0.5","","Ye, Junwei; Liu, Yu; Zhao, Yunfeng; Mu, Xiaoyue; Zhang, Ping; Wang, Yue","Porous lanthanide‒copper coordination frameworks exhibiting reversible single-crystal-to-single-crystal transformation based on variable coordination number and geometry","CrystEngComm","2008","10","5","598","","10.1039/b712280b","","","0.71073","MoKα","","0.0468","0.0428","","","0.1294","0.1383","","","","","","0.994","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201631","10.845","0.002","12.041","0.002","13.634","0.003","108.07","0.03","108.82","0.03","103.88","0.03","1483.4","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H18 Cu La N3 O22 -","- C24 H18 Cu La N3 O22 -","- C48 H36 Cu2 La2 N6 O44 -","2","1","","Ye, Junwei; Liu, Yu; Zhao, Yunfeng; Mu, Xiaoyue; Zhang, Ping; Wang, Yue","Porous lanthanide‒copper coordination frameworks exhibiting reversible single-crystal-to-single-crystal transformation based on variable coordination number and geometry","CrystEngComm","2008","10","5","598","","10.1039/b712280b","","","0.71073","MoKα","","0.0247","0.022","","","0.0726","0.0777","","","","","","1.053","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201632","9.835","0.002","10.322","0.002","10.979","0.002","70.75","0.03","84.63","0.03","70.97","0.03","994.6","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H16 Cu La2 N4 O26 -","- C32 H16 Cu La2 N4 O26 -","- C32 H16 Cu La2 N4 O26 -","1","0.5","","Ye, Junwei; Liu, Yu; Zhao, Yunfeng; Mu, Xiaoyue; Zhang, Ping; Wang, Yue","Porous lanthanide‒copper coordination frameworks exhibiting reversible single-crystal-to-single-crystal transformation based on variable coordination number and geometry","CrystEngComm","2008","10","5","598","","10.1039/b712280b","","","0.71073","MoKα","","0.0863","0.0773","","","0.1889","0.1957","","","","","","1.075","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201633","10.445","0.002","10.636","0.002","11.326","0.002","83.28","0.03","74.83","0.03","69.6","0.03","1137.8","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H32 Cu N4 O34 Tb2 -","- C32 H20 Cu N4 O34 Tb2 -","- C32 H20 Cu N4 O34 Tb2 -","1","0.5","","Ye, Junwei; Liu, Yu; Zhao, Yunfeng; Mu, Xiaoyue; Zhang, Ping; Wang, Yue","Porous lanthanide‒copper coordination frameworks exhibiting reversible single-crystal-to-single-crystal transformation based on variable coordination number and geometry","CrystEngComm","2008","10","5","598","","10.1039/b712280b","","","0.71073","MoKα","","0.0288","0.0273","","","0.08","0.0843","","","","","","1.062","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201634","9.829","0.002","10.242","0.002","10.948","0.002","70.76","0.03","84.94","0.03","71.26","0.03","985.2","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H16 Cu N4 O26 Tb2 -","- C32 H16 Cu N4 O26 Tb2 -","- C32 H16 Cu N4 O26 Tb2 -","1","0.5","","Ye, Junwei; Liu, Yu; Zhao, Yunfeng; Mu, Xiaoyue; Zhang, Ping; Wang, Yue","Porous lanthanide‒copper coordination frameworks exhibiting reversible single-crystal-to-single-crystal transformation based on variable coordination number and geometry","CrystEngComm","2008","10","5","598","","10.1039/b712280b","","","0.71073","MoKα","","0.0631","0.0579","","","0.1525","0.1561","","","","","","1.056","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201635","10.425","0.002","10.62","0.002","11.323","0.002","83.41","0.03","74.96","0.03","69.67","0.03","1134.8","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H32 Cu Dy2 N4 O34 -","- C32 H20 Cu Dy2 N4 O34 -","- C32 H20 Cu Dy2 N4 O34 -","1","0.5","","Ye, Junwei; Liu, Yu; Zhao, Yunfeng; Mu, Xiaoyue; Zhang, Ping; Wang, Yue","Porous lanthanide‒copper coordination frameworks exhibiting reversible single-crystal-to-single-crystal transformation based on variable coordination number and geometry","CrystEngComm","2008","10","5","598","","10.1039/b712280b","","","0.71073","MoKα","","0.0273","0.0257","","","0.0752","0.0809","","","","","","1.076","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201636","9.805","0.002","10.235","0.002","10.981","0.002","70.29","0.03","86.24","0.03","71.16","0.03","980.7","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H16 Cu Dy2 N4 O26 -","- C32 H16 Cu Dy2 N4 O26 -","- C32 H16 Cu Dy2 N4 O26 -","1","0.5","","Ye, Junwei; Liu, Yu; Zhao, Yunfeng; Mu, Xiaoyue; Zhang, Ping; Wang, Yue","Porous lanthanide‒copper coordination frameworks exhibiting reversible single-crystal-to-single-crystal transformation based on variable coordination number and geometry","CrystEngComm","2008","10","5","598","","10.1039/b712280b","","","0.71073","MoKα","","0.037","0.0341","","","0.1049","0.1062","","","","","","1.077","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201637","10.236","0.002","10.476","0.002","11.089","0.002","75.71","0.03","63.72","0.03","67.03","0.03","977.7","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H24 Ce2 Cu N4 O30 -","- C32 H24 Ce2 Cu N4 O30 -","- C32 H24 Ce2 Cu N4 O30 -","1","0.5","","Ye, Junwei; Liu, Yu; Zhao, Yunfeng; Mu, Xiaoyue; Zhang, Ping; Wang, Yue","Porous lanthanide‒copper coordination frameworks exhibiting reversible single-crystal-to-single-crystal transformation based on variable coordination number and geometry","CrystEngComm","2008","10","5","598","","10.1039/b712280b","","","0.71073","MoKα","","0.0201","0.0179","","","0.0662","0.08","","","","","","1.023","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201638","10.599","0.002","10.681","0.002","11.424","0.002","82.67","0.03","74.14","0.03","69.32","0.03","1163.2","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H32 Cu N4 O34 Pr2 -","- C32 H20 Cu N4 O34 Pr2 -","- C32 H20 Cu N4 O34 Pr2 -","1","0.5","","Ye, Junwei; Liu, Yu; Zhao, Yunfeng; Mu, Xiaoyue; Zhang, Ping; Wang, Yue","Porous lanthanide‒copper coordination frameworks exhibiting reversible single-crystal-to-single-crystal transformation based on variable coordination number and geometry","CrystEngComm","2008","10","5","598","","10.1039/b712280b","","","0.71073","MoKα","","0.0306","0.0289","","","0.0963","0.1022","","","","","","1.084","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201639","24.995","0.006","8.6663","0.0019","17.347","0.004","90","","133.949","0.017","90","","2705.3","1.3","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H48 Mn4 N8 O22 -","- C50 H48 Mn4 N8 O22 -","- C100 H96 Mn8 N16 O44 -","2","0.25","","Duan, Xianying; Cheng, Xian; Lin, Jianguo; Zang, Shuangquan; Li, Yizhi; Zhu, Chengjian; Meng, Qingjin","Three coordination polymers with helical chains based on methylenediisophthalic acid (H4MDIP)","CrystEngComm","2008","10","6","706","","10.1039/b712319a","","","0.71073","MoKα","","0.0997","0.0599","","","0.1183","0.1272","","","","","","1.061","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201640","11.4159","0.0015","15.596","0.002","28.849","0.004","90","","98.997","0.002","90","","5073.1","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H39 Mn3 N2 O23 -","- C44 H39 Mn3 N2 O23 -","- C176 H156 Mn12 N8 O92 -","4","1","","Duan, Xianying; Cheng, Xian; Lin, Jianguo; Zang, Shuangquan; Li, Yizhi; Zhu, Chengjian; Meng, Qingjin","Three coordination polymers with helical chains based on methylenediisophthalic acid (H4MDIP)","CrystEngComm","2008","10","6","706","","10.1039/b712319a","","","0.71073","MoKα","","0.1134","0.0637","","","0.1271","0.1397","","","","","","1.042","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201641","9.9387","0.0016","8.4653","0.0014","25.115","0.004","90","","90.56","0.003","90","","2112.9","0.6","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H44 Co5 O31 -","- C34 H44 Co5 O31 -","- C68 H88 Co10 O62 -","2","0.5","","Duan, Xianying; Cheng, Xian; Lin, Jianguo; Zang, Shuangquan; Li, Yizhi; Zhu, Chengjian; Meng, Qingjin","Three coordination polymers with helical chains based on methylenediisophthalic acid (H4MDIP)","CrystEngComm","2008","10","6","706","","10.1039/b712319a","","","0.71073","MoKα","","0.0733","0.0574","","","0.139","0.1452","","","","","","1.076","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201642","13.1506","0.0018","3.8859","0.0006","14.3115","0.0019","90","","91.548","0.01","90","","731.08","0.18","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3-chlorosalicylaldoxime","3-chlorosalicylaldoxime","","- C7 H6 Cl N O2 -","- C7 H6 Cl N O2 -","- C28 H24 Cl4 N4 O8 -","4","1","","Wood, Peter A.; Forgan, Ross S.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Tasker, Peter A.; Warren, John E.","The effect of pressure and substituents on the size of pseudo-macrocyclic cavities in salicylaldoxime ligands","CrystEngComm","2008","10","2","239","","10.1039/b712397c","","","0.71073","MoKα","","0.0618","0.0331","","0.0831","0.0786","0.0831","","","","","","0.8005","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201643","13.9108","0.0005","7.1936","0.0003","15.6965","0.0006","90","","90","","90","","1570.73","0.11","298","","298","","","","","","","","","4","P b c a","-P 2ac 2ab","61","3-Methoxysalicylaldoxime","3-Methoxysalicylaldoxime","","- C8 H9 N O3 -","- C8 H9 N O3 -","- C64 H72 N8 O24 -","8","1","","Wood, Peter A.; Forgan, Ross S.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Tasker, Peter A.; Warren, John E.","The effect of pressure and substituents on the size of pseudo-macrocyclic cavities in salicylaldoxime ligands","CrystEngComm","2008","10","2","239","","10.1039/b712397c","","","0.71073","MoKα","","0.081","0.0296","","0.1256","0.0746","0.1256","","","","","","1.1328","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201644","13.249","0.004","3.9513","0.0011","14.402","0.004","90","","90.324","0.004","90","","753.9","0.4","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-Methylsalicylaldoxime","3-Methylsalicylaldoxime","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","","Wood, Peter A.; Forgan, Ross S.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Tasker, Peter A.; Warren, John E.","The effect of pressure and substituents on the size of pseudo-macrocyclic cavities in salicylaldoxime ligands","CrystEngComm","2008","10","2","239","","10.1039/b712397c","","","0.71073","MoKα","","0.1516","0.0491","","0.131","0.1042","0.131","","","","","","0.6877","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201645","6.6132","0.0003","13.1087","0.0006","13.6382","0.0006","68.762","0.003","76.739","0.003","79.733","0.003","1066.71","0.09","298","","298","","","","","","","","","4","P -1","-P 1","2","3-tButylsalicylaldoxime","3-tButylsalicylaldoxime","","- C11 H15 N O2 -","- C11 H15 N O2 -","- C44 H60 N4 O8 -","4","2","","Wood, Peter A.; Forgan, Ross S.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Tasker, Peter A.; Warren, John E.","The effect of pressure and substituents on the size of pseudo-macrocyclic cavities in salicylaldoxime ligands","CrystEngComm","2008","10","2","239","","10.1039/b712397c","","","0.71073","MoKα","","0.1206","0.0535","","0.1344","0.1093","0.1344","","","","","","0.8468","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201646","12.998","0.003","3.6988","0.0005","13.9167","0.0016","90","","90.99","0.02","90","","668.97","0.19","298","","298","","","","1300000","","","","","4","P 1 21/c 1","-P 2ybc","14","3-Methylsalicylaldoxime","3-Methylsalicylaldoxime","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","","Wood, Peter A.; Forgan, Ross S.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Tasker, Peter A.; Warren, John E.","The effect of pressure and substituents on the size of pseudo-macrocyclic cavities in salicylaldoxime ligands","CrystEngComm","2008","10","2","239","","10.1039/b712397c","","","0.4577","Synchrotron","","0.121","0.0763","","0.2116","0.1777","0.2116","","","","","","1.0159","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201647","12.941","0.004","3.6146","0.0005","13.7188","0.0017","90","","91.47","0.02","90","","641.5","0.2","298","","298","","","","2200000","","","","","4","P 1 21/c 1","-P 2ybc","14","3-Methylsalicylaldoxime","3-Methylsalicylaldoxime","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","","Wood, Peter A.; Forgan, Ross S.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Tasker, Peter A.; Warren, John E.","The effect of pressure and substituents on the size of pseudo-macrocyclic cavities in salicylaldoxime ligands","CrystEngComm","2008","10","2","239","","10.1039/b712397c","","","0.4577","Synchrotron","","0.1022","0.0677","","0.1964","0.164","0.1964","","","","","","1.0253","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201648","12.878","0.004","3.5363","0.0005","13.5218","0.0016","90","","91.88","0.02","90","","615.5","0.2","298","","298","","","","3500000","","","","","4","P 1 21/c 1","-P 2ybc","14","3-Methylsalicylaldoxime","3-Methylsalicylaldoxime","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","","Wood, Peter A.; Forgan, Ross S.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Tasker, Peter A.; Warren, John E.","The effect of pressure and substituents on the size of pseudo-macrocyclic cavities in salicylaldoxime ligands","CrystEngComm","2008","10","2","239","","10.1039/b712397c","","","0.4577","Synchrotron","","0.1299","0.0616","","0.1948","0.1423","0.1948","","","","","","1.0041","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201649","12.831","0.003","3.5096","0.0004","13.4462","0.0013","90","","92.1","0.02","90","","605.1","0.17","298","","298","","","","4200000","","","","","4","P 1 21/c 1","-P 2ybc","14","3-Methylsalicylaldoxime","3-Methylsalicylaldoxime","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","","Wood, Peter A.; Forgan, Ross S.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Tasker, Peter A.; Warren, John E.","The effect of pressure and substituents on the size of pseudo-macrocyclic cavities in salicylaldoxime ligands","CrystEngComm","2008","10","2","239","","10.1039/b712397c","","","0.4577","Synchrotron","","0.1608","0.0758","","0.24","0.1729","0.24","","","","","","0.9604","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201650","12.766","0.007","3.4872","0.0009","13.382","0.003","90","","92.27","0.04","90","","595.3","0.4","298","","298","","","","4900000","","","","","4","P 1 21/c 1","-P 2ybc","14","3-Methylsalicylaldoxime","3-Methylsalicylaldoxime","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","","Wood, Peter A.; Forgan, Ross S.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Tasker, Peter A.; Warren, John E.","The effect of pressure and substituents on the size of pseudo-macrocyclic cavities in salicylaldoxime ligands","CrystEngComm","2008","10","2","239","","10.1039/b712397c","","","0.4577","Synchrotron","","0.1606","0.0987","","0.3178","0.2423","0.3178","","","","","","0.9284","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201651","12.75","0.004","3.4482","0.0006","13.291","0.0018","90","","92.45","0.02","90","","583.8","0.2","298","","298","","","","5600000","","","","","4","P 1 21/c 1","-P 2ybc","14","3-Methylsalicylaldoxime","3-Methylsalicylaldoxime","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","","Wood, Peter A.; Forgan, Ross S.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Tasker, Peter A.; Warren, John E.","The effect of pressure and substituents on the size of pseudo-macrocyclic cavities in salicylaldoxime ligands","CrystEngComm","2008","10","2","239","","10.1039/b712397c","","","0.4577","Synchrotron","","0.1285","0.0589","","0.1739","0.1374","0.1739","","","","","","1.023","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201652","6.5597","0.0007","12.8532","0.0009","13.479","0.002","69.311","0.01","76.054","0.01","79.035","0.006","1024.9","0.2","298","","298","","","","200000","","","","","4","P -1","-P 1","2","3-tButylsalicylaldoxime","3-tButylsalicylaldoxime","","- C11 H15 N O2 -","- C11 H15 N O2 -","- C44 H60 N4 O8 -","4","2","","Wood, Peter A.; Forgan, Ross S.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Tasker, Peter A.; Warren, John E.","The effect of pressure and substituents on the size of pseudo-macrocyclic cavities in salicylaldoxime ligands","CrystEngComm","2008","10","2","239","","10.1039/b712397c","","","0.4869","synchrotron","","0.1207","0.0615","","0.2004","0.1388","0.2004","","","","","","0.9155","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201653","14.811","0.003","6.4564","0.0007","19.759","0.004","90","","94.06","0.008","90","","1884.7","0.6","298","","298","","","","1000000","","","","","4","I 1 2/a 1","-I 2ya","15","3-tButylsalicylaldoxime","3-tButylsalicylaldoxime","","- C11 H15 N O2 -","- C11 H15 N O2 -","- C88 H120 N8 O16 -","8","1","","Wood, Peter A.; Forgan, Ross S.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Tasker, Peter A.; Warren, John E.","The effect of pressure and substituents on the size of pseudo-macrocyclic cavities in salicylaldoxime ligands","CrystEngComm","2008","10","2","239","","10.1039/b712397c","","","0.4869","synchrotron","","0.1138","0.0621","","0.2058","0.1603","0.2058","","","","","","0.9548","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201654","14.5745","0.0013","6.3779","0.0004","19.0922","0.0018","90","","94.882","0.004","90","","1768.3","0.3","298","","298","","","","2300000","","","","","4","I 1 2/a 1","-I 2ya","15","3-tButylsalicylaldoxime","3-tButylsalicylaldoxime","","- C11 H15 N O2 -","- C11 H15 N O2 -","- C88 H120 N8 O16 -","8","1","","Wood, Peter A.; Forgan, Ross S.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Tasker, Peter A.; Warren, John E.","The effect of pressure and substituents on the size of pseudo-macrocyclic cavities in salicylaldoxime ligands","CrystEngComm","2008","10","2","239","","10.1039/b712397c","","","0.4869","synchrotron","","0.1063","0.064","","0.2247","0.1715","0.2247","","","","","","0.9844","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201655","14.3941","0.0014","6.3329","0.0004","18.725","0.0019","90","","95.325","0.005","90","","1699.5","0.3","298","","298","","","","3400000","","","","","4","I 1 2/a 1","-I 2ya","15","3-tButylsalicylaldoxime","3-tButylsalicylaldoxime","","- C11 H15 N O2 -","- C11 H15 N O2 -","- C88 H120 N8 O16 -","8","1","","Wood, Peter A.; Forgan, Ross S.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Tasker, Peter A.; Warren, John E.","The effect of pressure and substituents on the size of pseudo-macrocyclic cavities in salicylaldoxime ligands","CrystEngComm","2008","10","2","239","","10.1039/b712397c","","","0.4869","synchrotron","","0.092","0.0559","","0.1838","0.1438","0.1838","","","","","","0.9545","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201656","14.271","0.004","6.303","0.0009","18.459","0.005","90","","95.59","0.015","90","","1652.5","0.7","298","","298","","","","4600000","","","","","4","I 1 2/a 1","-I 2ya","15","3-tButylsalicylaldoxime","3-tButylsalicylaldoxime","","- C11 H15 N O2 -","- C11 H15 N O2 -","- C88 H120 N8 O16 -","8","1","","Wood, Peter A.; Forgan, Ross S.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Tasker, Peter A.; Warren, John E.","The effect of pressure and substituents on the size of pseudo-macrocyclic cavities in salicylaldoxime ligands","CrystEngComm","2008","10","2","239","","10.1039/b712397c","","","0.4869","synchrotron","","0.1084","0.0673","","0.239","0.1829","0.239","","","","","","0.9765","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201657","14.101","0.003","6.2699","0.0006","18.158","0.003","90","","95.817","0.01","90","","1597.1","0.5","298","","298","","","","6200000","","","","","4","I 1 2/a 1","-I 2ya","15","3-tButylsalicylaldoxime","3-tButylsalicylaldoxime","","- C11 H15 N O2 -","- C11 H15 N O2 -","- C88 H120 N8 O16 -","8","1","","Wood, Peter A.; Forgan, Ross S.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Tasker, Peter A.; Warren, John E.","The effect of pressure and substituents on the size of pseudo-macrocyclic cavities in salicylaldoxime ligands","CrystEngComm","2008","10","2","239","","10.1039/b712397c","","","0.4869","synchrotron","","0.0896","0.0531","","0.1634","0.1303","0.1634","","","","","","0.9538","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201658","12.843","0.003","3.6613","0.0003","13.7921","0.0016","90","","92.603","0.013","90","","647.86","0.18","298","","298","","","","1600000","","","","","5","P 1 21/c 1","-P 2ybc","14","3-chlorosalicylaldoxime","3-chlorosalicylaldoxime","","- C7 H6 Cl N O2 -","- C7 H6 Cl N O2 -","- C28 H24 Cl4 N4 O8 -","4","1","","Wood, Peter A.; Forgan, Ross S.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Tasker, Peter A.; Warren, John E.","The effect of pressure and substituents on the size of pseudo-macrocyclic cavities in salicylaldoxime ligands","CrystEngComm","2008","10","2","239","","10.1039/b712397c","","","0.71073","MoKα","","0.0746","0.0578","","0.1577","0.1476","0.1577","","","","","","1.0232","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201659","12.748","0.002","3.5954","0.0003","13.6496","0.0015","90","","93.115","0.013","90","","624.69","0.13","298","","298","","","","2400000","","","","","5","P 1 21/c 1","-P 2ybc","14","3-chlorosalicylaldoxime","3-chlorosalicylaldoxime","","- C7 H6 Cl N O2 -","- C7 H6 Cl N O2 -","- C28 H24 Cl4 N4 O8 -","4","1","","Wood, Peter A.; Forgan, Ross S.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Tasker, Peter A.; Warren, John E.","The effect of pressure and substituents on the size of pseudo-macrocyclic cavities in salicylaldoxime ligands","CrystEngComm","2008","10","2","239","","10.1039/b712397c","","","0.71073","MoKα","","0.0592","0.0463","","0.1213","0.1141","0.1213","","","","","","1.028","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201660","12.652","0.004","3.5295","0.0004","13.509","0.002","90","","93.64","0.02","90","","602","0.2","298","","298","","","","3400000","","","","","5","P 1 21/c 1","-P 2ybc","14","3-chlorosalicylaldoxime","3-chlorosalicylaldoxime","","- C7 H6 Cl N O2 -","- C7 H6 Cl N O2 -","- C28 H24 Cl4 N4 O8 -","4","1","","Wood, Peter A.; Forgan, Ross S.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Tasker, Peter A.; Warren, John E.","The effect of pressure and substituents on the size of pseudo-macrocyclic cavities in salicylaldoxime ligands","CrystEngComm","2008","10","2","239","","10.1039/b712397c","","","0.71073","MoKα","","0.0973","0.0775","","0.2271","0.2099","0.2271","","","","","","1.0203","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201661","12.544","0.006","3.4424","0.0008","13.365","0.005","90","","94.44","0.04","90","","575.4","0.4","298","","298","","","","5000000","","","","","5","P 1 21/c 1","-P 2ybc","14","3-chlorosalicylaldoxime","3-chlorosalicylaldoxime","","- C7 H6 Cl N O2 -","- C7 H6 Cl N O2 -","- C28 H24 Cl4 N4 O8 -","4","1","","Wood, Peter A.; Forgan, Ross S.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Tasker, Peter A.; Warren, John E.","The effect of pressure and substituents on the size of pseudo-macrocyclic cavities in salicylaldoxime ligands","CrystEngComm","2008","10","2","239","","10.1039/b712397c","","","0.71073","MoKα","","0.0775","0.045","","0.1234","0.1039","0.1234","","","","","","0.9958","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201662","13.0765","0.0005","7.0982","0.0004","15.2455","0.0005","90","","90","","90","","1415.08","0.11","298","","298","","","","1400000","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H9 N O3 -","- C8 H9 N O3 -","- C64 H72 N8 O24 -","8","1","","Wood, Peter A.; Forgan, Ross S.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Tasker, Peter A.; Warren, John E.","The effect of pressure and substituents on the size of pseudo-macrocyclic cavities in salicylaldoxime ligands","CrystEngComm","2008","10","2","239","","10.1039/b712397c","","","0.4872","synchrotron","","0.0857","0.0464","","0.1526","0.1218","0.1526","","","","","","0.9357","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201663","12.5814","0.0004","7.0265","0.0004","15.0188","0.0004","90","","90","","90","","1327.71","0.09","298","","298","","","","2700000","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H9 N O3 -","- C8 H9 N O3 -","- C64 H72 N8 O24 -","8","1","","Wood, Peter A.; Forgan, Ross S.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Tasker, Peter A.; Warren, John E.","The effect of pressure and substituents on the size of pseudo-macrocyclic cavities in salicylaldoxime ligands","CrystEngComm","2008","10","2","239","","10.1039/b712397c","","","0.4872","synchrotron","","0.0679","0.0408","","0.1193","0.0969","0.1193","","","","","","0.9038","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201664","12.3113","0.0005","6.98","0.0004","14.8947","0.0005","90","","90","","90","","1279.94","0.1","298","","298","","","","4400000","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H9 N O3 -","- C8 H9 N O3 -","- C64 H72 N8 O24 -","8","1","","Wood, Peter A.; Forgan, Ross S.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Tasker, Peter A.; Warren, John E.","The effect of pressure and substituents on the size of pseudo-macrocyclic cavities in salicylaldoxime ligands","CrystEngComm","2008","10","2","239","","10.1039/b712397c","","","0.4872","synchrotron","","0.0863","0.0488","","0.1619","0.1252","0.1619","","","","","","0.8651","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201665","12.134","0.0013","6.9421","0.0011","14.8065","0.0013","90","","90","","90","","1247.2","0.3","298","","298","","","","5300000","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H9 N O3 -","- C8 H9 N O3 -","- C64 H72 N8 O24 -","8","1","","Wood, Peter A.; Forgan, Ross S.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Tasker, Peter A.; Warren, John E.","The effect of pressure and substituents on the size of pseudo-macrocyclic cavities in salicylaldoxime ligands","CrystEngComm","2008","10","2","239","","10.1039/b712397c","","","0.4872","synchrotron","","0.0696","0.0476","","0.1436","0.123","0.1436","","","","","","0.8503","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201666","12.0702","0.0005","6.92","0.0005","14.7703","0.0005","90","","90","","90","","1233.7","0.11","298","","298","","","","6000000","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H9 N O3 -","- C8 H9 N O3 -","- C64 H72 N8 O24 -","8","1","","Wood, Peter A.; Forgan, Ross S.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Tasker, Peter A.; Warren, John E.","The effect of pressure and substituents on the size of pseudo-macrocyclic cavities in salicylaldoxime ligands","CrystEngComm","2008","10","2","239","","10.1039/b712397c","","","0.4872","synchrotron","","0.0717","0.0417","","0.1113","0.089","0.1113","","","","","","0.9001","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201668","6.8481","0.0014","11.662","0.002","13.675","0.003","107.123","0.004","99.175","0.004","90.909","0.003","1028.1","0.4","297","2","297","2","","","","","","","","4","P -1","-P 1","2","2,6-di-O-p-bromobenzoyl-myo-inositol 1,3,5-orthoformate","2,6-di-O-p-bromobenzoyl-myo-inositol 1,3,5-orthoformate","","- C21 H16 Br2 O8 -","- C21 H16 Br2 O8 -","- C42 H32 Br4 O16 -","2","1","","Gonnade, Rajesh G.; Bhadbhade, Mohan M.; Shashidhar, Mysore S.","Crystal-to-crystal transformation amongst dimorphs of racemic 2,6-di-O-(p-halo benzoyl)-myo-inositol 1,3,5-orthoformates that achieves halogen bonding contacts","CrystEngComm","2008","10","3","288","","10.1039/b712528c","","","0.71073","MoKα","","0.0652","0.0405","","","0.086","0.0946","","","","","","1.023","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201669","6.794","0.005","11.545","0.009","13.565","0.01","106.843","0.011","98.733","0.012","91.059","0.012","1004.3","1.3","297","2","297","2","","","","","","","","4","P -1","-P 1","2","2,6-di-O-p-chlorobenzoyl-myo-inositol 1,3,5-orthoformate","2,6-di-O-p-chlorobenzoyl-myo-inositol 1,3,5-orthoformate","","- C21 H16 Cl2 O8 -","- C21 H16 Cl2 O8 -","- C42 H32 Cl4 O16 -","2","1","","Gonnade, Rajesh G.; Bhadbhade, Mohan M.; Shashidhar, Mysore S.","Crystal-to-crystal transformation amongst dimorphs of racemic 2,6-di-O-(p-halo benzoyl)-myo-inositol 1,3,5-orthoformates that achieves halogen bonding contacts","CrystEngComm","2008","10","3","288","","10.1039/b712528c","","","0.71073","MoKα","","0.052","0.0474","","","0.1206","0.1241","","","","","","1.078","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201670","6.825","0.003","8.33","0.004","18.181","0.009","80.744","0.009","88.609","0.009","83.038","0.01","1012.6","0.8","297","2","297","2","","","","","","","","4","P -1","-P 1","2","2,6-di-O-p-bromobenzoyl-myo-inositol 1,3,5-orthoformate","2,6-di-O-p-bromobenzoyl-myo-inositol 1,3,5-orthoformate","","- C21 H16 Br2 O8 -","- C21 H16 Br2 O8 -","- C42 H32 Br4 O16 -","2","1","","Gonnade, Rajesh G.; Bhadbhade, Mohan M.; Shashidhar, Mysore S.","Crystal-to-crystal transformation amongst dimorphs of racemic 2,6-di-O-(p-halo benzoyl)-myo-inositol 1,3,5-orthoformates that achieves halogen bonding contacts","CrystEngComm","2008","10","3","288","","10.1039/b712528c","","","0.71073","MoKα","","0.1264","0.0663","","","0.1491","0.1761","","","","","","0.963","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201671","6.815","0.003","8.325","0.003","17.887","0.007","80.14","0.007","87.493","0.008","83.024","0.008","992.2","0.7","297","2","297","2","","","","","","","","4","P -1","-P 1","2","2,6-di-O-p-chlorobenzoyl-myo-inositol 1,3,5-orthoformate","2,6-di-O-p-chlorobenzoyl-myo-inositol 1,3,5-orthoformate","","- C21 H16 Cl2 O8 -","- C21 H16 Cl2 O8 -","- C42 H32 Cl4 O16 -","2","1","","Gonnade, Rajesh G.; Bhadbhade, Mohan M.; Shashidhar, Mysore S.","Crystal-to-crystal transformation amongst dimorphs of racemic 2,6-di-O-(p-halo benzoyl)-myo-inositol 1,3,5-orthoformates that achieves halogen bonding contacts","CrystEngComm","2008","10","3","288","","10.1039/b712528c","","","0.71073","MoKα","","0.0954","0.0602","","","0.1212","0.1358","","","","","","1.047","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201672","8.31089","0.00009","12.15064","0.00012","8.06761","0.00009","90","","106.723","0.0008","90","","780.234","0.015","297","1","297","","","","","","","","see text","4","P 1 21/a 1","-P 2yab","14","","bis(3-acetyl-2,4-pentandionato-O2,O3)magnesium(II)","","- C14 H18 Mg O6 -","- C14 H18 Mg O6 -","- C28 H36 Mg2 O12 -","2","0.5","","Többens, Daniel M.; Hummel, Michael; Kaindl, Reinhard; Schottenberger, Herwig; Kahlenberg, Volker","Novel linear acetylpentanedionato complexes for metal‒organic framework construction","CrystEngComm","2008","10","3","327","","10.1039/b712539a","powder diffraction","","","CuKα","","","","","","","","","4.2413","","","","","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201673","13.39752","0.00015","13.43165","0.00008","8.49767","0.00004","90","","90","","90","","1529.16","0.02","296","","296","","","","","","","","see text","4","P b c a","-P 2ac 2ab","61","","bis(3-acetyl-2,4-pentandionato-O2,O3)palladium(II)","","- C14 H18 O6 Pd -","- C14 H18 O6 Pd -","- C56 H72 O24 Pd4 -","4","0.5","","Többens, Daniel M.; Hummel, Michael; Kaindl, Reinhard; Schottenberger, Herwig; Kahlenberg, Volker","Novel linear acetylpentanedionato complexes for metal‒organic framework construction","CrystEngComm","2008","10","3","327","","10.1039/b712539a","powder diffraction","","","CuKα","","","","","","","","","3.8205","","","","","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201674","5.6491","0.0001","19.5639","0.0004","22.0741","0.0005","84.2178","0.0013","88.4073","0.0014","83.6001","0.0013","2411.72","0.09","","","100","","","","","","","","","4","P -1","-P 1","2","10,11-Dihydro-5H-dibenzo(a,d)cycloheptene-5-carboxamide","10,11-Dihydro-5H-dibenzo[a,d]cycloheptene-5-carboxamide","","- C16 H15 N O -","- C16 H15 N O -","- C128 H120 N8 O8 -","8","4","","Florence, A. J.; Shankland, K.; Gelbrich, T.; Hursthouse, M. B.; Shankland, N.; Johnston, A.; Fernandes, P.; Leech, C. K.","A catemer-to-dimer structural transformation in cyheptamide","CrystEngComm","2008","10","1","26","","10.1039/b712547j","powder diffraction","","","","","","","","","","","","","2.05","","","","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201675","10.9504","0.0013","11.8398","0.0014","13.2335","0.0016","90","","90","","90","","1715.7","0.4","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H26 B F4 N3 Pd -","- C14 H26 B F4 N3 Pd -","- C56 H104 B4 F16 N12 Pd4 -","4","1","","Kalf, Irmgard; Wang, Ruimin; Englert, Ulli","A robust conglomerate structure type in salts of cationic organopalladium complexes and non-coordinating anions","CrystEngComm","2008","10","1","39","","10.1039/b712641g","","","0.71073","MoKα","","0.0219","0.0215","","","0.053","0.0534","","","","","","1.083","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201676","10.824","0.003","12.23","0.003","14.106","0.003","90","","90","","90","","1867.3","0.8","278","2","278","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H28 B F4 N3 Pd -","- C15 H28 B F4 N3 Pd -","- C60 H112 B4 F16 N12 Pd4 -","4","1","","Kalf, Irmgard; Wang, Ruimin; Englert, Ulli","A robust conglomerate structure type in salts of cationic organopalladium complexes and non-coordinating anions","CrystEngComm","2008","10","1","39","","10.1039/b712641g","","","0.71073","MoKα","","0.0829","0.0493","","","0.0814","0.0873","","","","","","1.041","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201677","10.3539","0.001","16.9103","0.0016","11.3615","0.0011","90","","116.461","0.002","90","","1780.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H25 B F5 N3 Pd -","- C14 H25 B F5 N3 Pd -","- C56 H100 B4 F20 N12 Pd4 -","4","1","","Kalf, Irmgard; Wang, Ruimin; Englert, Ulli","A robust conglomerate structure type in salts of cationic organopalladium complexes and non-coordinating anions","CrystEngComm","2008","10","1","39","","10.1039/b712641g","","","0.71073","MoKα","","0.0724","0.0551","","","0.0988","0.1039","","","","","","1.153","","","","has coordinates,has disorder","180347","2020-10-21","18:00:00",""
"7201678","8.9088","0.0009","9.5432","0.001","20.917","0.002","90","","90","","90","","1778.3","0.3","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H25 B F5 N3 Pd -","- C14 H25 B F5 N3 Pd -","- C56 H100 B4 F20 N12 Pd4 -","4","1","","Kalf, Irmgard; Wang, Ruimin; Englert, Ulli","A robust conglomerate structure type in salts of cationic organopalladium complexes and non-coordinating anions","CrystEngComm","2008","10","1","39","","10.1039/b712641g","","","0.71073","MoKα","","0.037","0.0346","","","0.0812","0.0825","","","","","","1.048","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201679","10.908","0.002","12.578","0.003","13.989","0.003","90","","90","","90","","1919.3","0.7","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H26 F6 N3 P Pd -","- C14 H26 F6 N3 P Pd -","- C56 H104 F24 N12 P4 Pd4 -","4","1","","Kalf, Irmgard; Wang, Ruimin; Englert, Ulli","A robust conglomerate structure type in salts of cationic organopalladium complexes and non-coordinating anions","CrystEngComm","2008","10","1","39","","10.1039/b712641g","","","0.71073","MoKα","","0.0361","0.0354","","","0.0966","0.0971","","","","","","1.103","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201680","10.839","0.0007","12.5518","0.0009","14.3611","0.001","90","","90","","90","","1953.8","0.2","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H28 F6 N3 P Pd -","- C15 H28 F6 N3 P Pd -","- C60 H112 F24 N12 P4 Pd4 -","4","1","","Kalf, Irmgard; Wang, Ruimin; Englert, Ulli","A robust conglomerate structure type in salts of cationic organopalladium complexes and non-coordinating anions","CrystEngComm","2008","10","1","39","","10.1039/b712641g","","","0.71073","MoKα","","0.0223","0.0221","","","0.053","0.0532","","","","","","1.097","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201681","10.777","0.003","12.438","0.003","14.353","0.003","90","","90","","90","","1923.9","0.8","130","2","130","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H25 F7 N3 P Pd -","- C14 H25 F7 N3 P Pd -","- C56 H100 F28 N12 P4 Pd4 -","4","1","","Kalf, Irmgard; Wang, Ruimin; Englert, Ulli","A robust conglomerate structure type in salts of cationic organopalladium complexes and non-coordinating anions","CrystEngComm","2008","10","1","39","","10.1039/b712641g","","","0.71073","MoKα","","0.035","0.0309","","","0.0734","0.0749","","","","","","1.084","","","","has coordinates,has disorder","180347","2020-10-21","18:00:00",""
"7201682","10.7696","0.0009","12.4391","0.001","14.6194","0.0012","90","","90","","90","","1958.5","0.3","153","2","153","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C14 H25 Cl F6 N3 P Pd -","- C14 H25 Cl F6 N3 P Pd -","- C56 H100 Cl4 F24 N12 P4 Pd4 -","4","1","","Kalf, Irmgard; Wang, Ruimin; Englert, Ulli","A robust conglomerate structure type in salts of cationic organopalladium complexes and non-coordinating anions","CrystEngComm","2008","10","1","39","","10.1039/b712641g","","","0.71073","MoKα","","0.0649","0.0627","","","0.1443","0.1455","","","","","","1.196","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201683","7.724","0.003","20.015","0.008","14.106","0.006","90","","102.012","0.009","90","","2133","1.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H28 F6 N3 O P Pd -","- C15 H28 F6 N3 O P Pd -","- C60 H112 F24 N12 O4 P4 Pd4 -","4","1","","Kalf, Irmgard; Wang, Ruimin; Englert, Ulli","A robust conglomerate structure type in salts of cationic organopalladium complexes and non-coordinating anions","CrystEngComm","2008","10","1","39","","10.1039/b712641g","","","0.71073","MoKα","","0.134","0.0614","","","0.1061","0.1245","","","","","","1.001","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201684","7.598","0.0005","20.5971","0.0014","13.8222","0.0009","90","","105.038","0.002","90","","2089.1","0.2","130","2","130","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C15 H28 F6 N3 O P Pd -","- C15 H28 F6 N3 O P Pd -","- C60 H112 F24 N12 O4 P4 Pd4 -","4","2","","Kalf, Irmgard; Wang, Ruimin; Englert, Ulli","A robust conglomerate structure type in salts of cationic organopalladium complexes and non-coordinating anions","CrystEngComm","2008","10","1","39","","10.1039/b712641g","","","0.71073","MoKα","","0.048","0.0437","","","0.0934","0.0956","","","","","","1.018","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201685","11.6744","0.0017","14.108","0.002","11.9538","0.0018","90","","96.137","0.004","90","","1957.5","0.5","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C15 H26 F3 N3 O3 Pd S -","- C15 H26 F3 N3 O3 Pd S -","- C60 H104 F12 N12 O12 Pd4 S4 -","4","1","","Kalf, Irmgard; Wang, Ruimin; Englert, Ulli","A robust conglomerate structure type in salts of cationic organopalladium complexes and non-coordinating anions","CrystEngComm","2008","10","1","39","","10.1039/b712641g","","","0.71073","MoKα","","0.0386","0.0352","","","0.0848","0.0865","","","","","","1.057","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201686","11.6452","0.0013","14.3172","0.0013","12.0277","0.0013","90","","96.018","0.004","90","","1994.3","0.4","130","2","130","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C15 H26 F3 N3 O3 Pd S -","- C15 H26 F3 N3 O3 Pd S -","- C60 H104 F12 N12 O12 Pd4 S4 -","4","2","","Kalf, Irmgard; Wang, Ruimin; Englert, Ulli","A robust conglomerate structure type in salts of cationic organopalladium complexes and non-coordinating anions","CrystEngComm","2008","10","1","39","","10.1039/b712641g","","","0.71073","MoKα","","0.0928","0.0602","","","0.0954","0.1055","","","","","","0.999","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201687","11.8517","0.0007","10.8528","0.0007","9.1258","0.0005","90","","111.267","0.002","90","","1093.86","0.11","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H13 N3 O3 S -","- C8 H13 N3 O3 S -","- C32 H52 N12 O12 S4 -","4","1","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Warren, John E.","Isomerism and interpenetration in hydrogen-bonded network structures","CrystEngComm","2008","10","1","15","","10.1039/b712678f","","","0.6867","Synchrotron","","0.0588","0.0436","","","0.1078","0.1158","","","","","","1.019","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201688","7.287","0.0006","19.483","0.0012","14.679","0.002","90","","94.837","0.005","90","","2076.6","0.4","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H13 N3 O3 S -","- C8 H13 N3 O3 S -","- C64 H104 N24 O24 S8 -","8","2","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Warren, John E.","Isomerism and interpenetration in hydrogen-bonded network structures","CrystEngComm","2008","10","1","15","","10.1039/b712678f","","","0.71073","MoKα","","0.1136","0.0517","","","0.1091","0.1236","","","","","","0.994","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201689","17.3064","0.0008","17.3064","0.0008","18.5975","0.0016","90","","90","","90","","5570.2","0.6","293","2","293","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C4 H6 Cu2 I N3 O2 -","- C4 H6 Cu2 I N3 O2 -","- C64 H96 Cu32 I16 N48 O32 -","16","1","","Zhao, Zhen-Guo; Zhang, Jian; Wu, Xiao-Yuan; Zhai, Quan-Guo; Chen, Li-Juan; Chen, Shu-Mei; Xie, Yi-Ming; Lu, Can-Zhong","(3,4)-Connected jph-type porous framework with Cu4I4 clusters as jointing points of helices","CrystEngComm","2008","10","3","273","","10.1039/b712855j","","","0.71073","MoKα","","0.0753","0.0662","","","0.2045","0.2166","","","","","","1.056","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201690","8.7902","0.0004","8.8646","0.0004","16.0524","0.0008","90","","90","","90","","1250.83","0.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C4 H8 N4 O2 -","- C4 H8 N4 O2 -","- C32 H64 N32 O16 -","8","1","","Zhao, Zhen-Guo; Zhang, Jian; Wu, Xiao-Yuan; Zhai, Quan-Guo; Chen, Li-Juan; Chen, Shu-Mei; Xie, Yi-Ming; Lu, Can-Zhong","(3,4)-Connected jph-type porous framework with Cu4I4 clusters as jointing points of helices","CrystEngComm","2008","10","3","273","","10.1039/b712855j","","","0.71073","MoKα","","0.0611","0.0594","","","0.1916","0.1939","","","","","","0.859","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201691","15.4037","0.0003","13.4121","0.0002","13.2831","0.0002","90","","90","","90","","2744.23","0.08","100","2","100","2","","","","","","","synthesis as described","4","A b a 2","A 2 -2ab","41","","","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C128 H120 N8 O24 -","8","","","Munshi, Parthapratim; Skelton, Brian W.; McKinnon, Joshua J.; Spackman, Mark A.","Polymorphism in 3-methyl-4-methoxy-4′-nitrostilbene (MMONS), a highly active NLO material","CrystEngComm","2008","10","2","197","","10.1039/b712869j","","x-ray","0.71073","MoKα","","0.0417","0.0373","","","0.0992","0.105","","","","","","1.074","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201692","11.889","0.0002","7.4118","0.0001","15.6083","0.0002","90","","103.661","0.002","90","","1336.48","0.04","100","2","100","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C64 H60 N4 O12 -","4","2","","Munshi, Parthapratim; Skelton, Brian W.; McKinnon, Joshua J.; Spackman, Mark A.","Polymorphism in 3-methyl-4-methoxy-4′-nitrostilbene (MMONS), a highly active NLO material","CrystEngComm","2008","10","2","197","","10.1039/b712869j","","x-ray","0.71073","MoKα","","0.0531","0.043","","","0.1193","0.1309","","","","","","1.085","","","","has coordinates,has disorder","180347","2020-10-21","18:00:00",""
"7201693","7.2691","0.0005","14.0308","0.0012","26.229","0.002","90","","90","","90","","2675.1","0.4","100","2","100","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C128 H120 N8 O24 -","8","1","","Munshi, Parthapratim; Skelton, Brian W.; McKinnon, Joshua J.; Spackman, Mark A.","Polymorphism in 3-methyl-4-methoxy-4′-nitrostilbene (MMONS), a highly active NLO material","CrystEngComm","2008","10","2","197","","10.1039/b712869j","","x-ray","0.71073","MoKα","","0.1045","0.0551","","","0.1045","0.1231","","","","","","1.044","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201694","7.894","0.002","21.662","0.006","7.747","0.002","90","","115.645","0.004","90","","1194.2","0.5","291","2","291","2","","","","","","","see text","3","C 1 c 1","C -2yc","9","(3aR*,4R*,9R*,9aS*)-9-(hydroxymethyl)-2,2-dimethyl-3a,4,9,9a- tetrahydrocycloocta(d)(1,3)dioxol-4-ol","(3aR*,4R*,9R*,9aS*)-9-(hydroxymethyl)-2,2-dimethyl- 3a,4,9,9a-tetrahydrocycloocta[d][1,3]dioxol-4-ol","","- C12 H18 O4 -","- C12 H18 O4 -","- C48 H72 O16 -","4","1","","Mehta, Goverdhan; Sen, Saikat; Pallavi, Kotapalli","Understanding the self-assembling process in crystalline cyclooctitols: an insight into the conformational flexibility of medium-sized rings","CrystEngComm","2008","10","5","534","","10.1039/b712877k","","x-ray","0.71073","MoKα","","0.0404","0.0364","","","0.0855","0.0875","","","","","","1.159","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201695","8.8996","0.0016","14.342","0.003","19.65","0.004","90","","102.262","0.003","90","","2450.9","0.8","291","2","296","2","","","","","","","see text","3","P 1 21/n 1","-P 2yn","14","(3aS*,4S*,9S*,9aR*)-9-(hydroxymethyl)-2,2-dimethyl- 3a,4,7,8,9,9a-hexahydro-cycloocta(d)(1,3)dioxol-4-ol","(3aS*,4S*,9S*,9aR*)-9-(hydroxymethyl)-2,2-dimethyl-3a,4,7,8,9,9a-hexahydro- cycloocta[d][1,3]dioxol-4-ol","","- C12 H20 O4 -","- C12 H20 O4 -","- C96 H160 O32 -","8","2","","Mehta, Goverdhan; Sen, Saikat; Pallavi, Kotapalli","Understanding the self-assembling process in crystalline cyclooctitols: an insight into the conformational flexibility of medium-sized rings","CrystEngComm","2008","10","5","534","","10.1039/b712877k","","","0.71073","MoKa","","0.0775","0.0514","","","0.1025","0.1101","","","","","","1.07","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201696","4.9452","0.0001","32.404","0.0008","12.472","0.0004","90","","95.869","0.003","90","","1988.09","0.09","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 N3 O9 -","- C21 H17 N3 O9 -","- C84 H68 N12 O36 -","4","1","","Baruah, Jubaraj B.; Karmakar, Anirban; Barooah, Nilotpal","Solvent induced symmetry non-equivalence in the crystal lattice of 7-carboxymethyl-1,3,6,8-tetraoxo-3,6,7,8-tetrahydro-1H-benzo[lmn][3,8]phenathrolin-2-yl) acetic acid","CrystEngComm","2008","10","2","151","","10.1039/b712967j","","","0.71073","MoKα","","0.0852","0.0468","","","0.1123","0.1336","","","","","","1.023","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201697","5.0358","0.0004","31.895","0.003","6.6096","0.0006","90","","105.033","0.004","90","","1025.28","0.16","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C20 H16 N2 O9 S -","- C20 H16 N2 O9 S -","- C40 H32 N4 O18 S2 -","2","0.5","","Baruah, Jubaraj B.; Karmakar, Anirban; Barooah, Nilotpal","Solvent induced symmetry non-equivalence in the crystal lattice of 7-carboxymethyl-1,3,6,8-tetraoxo-3,6,7,8-tetrahydro-1H-benzo[lmn][3,8]phenathrolin-2-yl) acetic acid","CrystEngComm","2008","10","2","151","","10.1039/b712967j","","","0.71073","MoKα","","0.1554","0.088","","","0.2664","0.321","","","","","","1.035","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201698","8.6581","0.0003","14.2343","0.0017","39.083","0.006","97.681","0.012","95.21","0.005","104.377","0.005","4585.2","0.9","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C84.3 H74.15 Cu2 Fe2 N26.15 O31.85 -","- C84.3 H62.45 Cu2 Fe2 N26.15 O31.85 -","- C168.6 H124.9 Cu4 Fe4 N52.3 O63.7 -","2","1","","Beves, Jonathon E.; Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia","A one-dimensional copper(ii) coordination polymer containing [Fe(pytpy)2]2+ (pytpy = 4′-(4-pyridyl)-2,2′:6′,2″-terpyridine) as an expanded 4,4′-bipyridine ligand: a hydrogen-bonded network penetrated by rod-like polymers","CrystEngComm","2008","10","3","344","","10.1039/b713001e","","","0.71073","MoKα","","0.0997","0.0685","","0.088","0.0602","0.0602","","","","","","1.024","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201699","8.926","0.007","16.448","0.013","12.652","0.01","90","","97.353","0.009","90","","1842","3","298","2","298","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C11 H15 Fe2 O8 P S2 -","- C11 H15 Fe2 O8 P S2 -","- C44 H60 Fe8 O32 P4 S8 -","4","2","","Li, Ping; Wang, Mei; Chen, Lin; Wang, Ning; Zhang, Tingting; Sun, Licheng","Supramolecular self-assembly of a [2Fe2S] complex with a hydrophilic phosphine ligand","CrystEngComm","2008","10","3","267","","10.1039/b713159c","","","0.71073","MoKα","","0.0361","0.0339","","","0.0929","0.0946","","","","","","1.018","","","","has coordinates,has disorder","180347","2020-10-21","18:00:00",""
"7201700","13.7009","0.0018","7.8374","0.001","7.4351","0.0007","90","","105.238","0.01","90","","770.31","0.16","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H10 Cl6 N2 Pb2 -","- C6 H10 Cl6 N2 Pb2 -","- C12 H20 Cl12 N4 Pb4 -","2","0.5","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Inorganic‒organic hybrid salts of diaminobenzenes and related cations","CrystEngComm","2008","10","5","577","","10.1039/b713261a","","","0.71073","MoKα","","0.0355","0.0252","","","0.0773","0.0971","","","","","","1.329","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201701","9.6706","0.0012","10.9982","0.0011","14.791","0.0016","95.696","0.009","101.053","0.01","99.407","0.009","1509.3","0.3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H10 Cl14 Hg6 N2 O2 -","- C6 H10 Cl14 Hg6 N2 O2 -","- C12 H20 Cl28 Hg12 N4 O4 -","2","1","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Inorganic‒organic hybrid salts of diaminobenzenes and related cations","CrystEngComm","2008","10","5","577","","10.1039/b713261a","","","0.71073","MoKα","","0.042","0.0216","","","0.0534","0.0714","","","","","","0.983","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201702","5.8696","0.0005","11.4163","0.0011","21.257","0.002","90","","95.871","0.007","90","","1416.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H14 Cl4 N2 Pb -","- C8 H14 Cl4 N2 Pb -","- C32 H56 Cl16 N8 Pb4 -","4","1","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Inorganic‒organic hybrid salts of diaminobenzenes and related cations","CrystEngComm","2008","10","5","577","","10.1039/b713261a","","","0.71073","MoKα","","0.0285","0.0171","","","0.0369","0.0568","","","","","","1.011","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201703","11.0672","0.0011","19.9418","0.0015","11.9459","0.0017","90","","107.754","0.011","90","","2510.9","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H14 Cl10 Hg4 N2 O -","- C8 H14 Cl10 Hg4 N2 O -","- C32 H56 Cl40 Hg16 N8 O4 -","4","1","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Inorganic‒organic hybrid salts of diaminobenzenes and related cations","CrystEngComm","2008","10","5","577","","10.1039/b713261a","","","0.71073","MoKα","","0.0831","0.0287","","","0.0521","0.0655","","","","","","0.914","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201704","12.2479","0.0003","11.372","0.0003","20.7255","0.0004","90","","90.632","0.002","90","","2886.54","0.12","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H38 Cl6 N4 O Pb -","- C20 H38 Cl6 N4 O Pb -","- C80 H152 Cl24 N16 O4 Pb4 -","4","1","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Inorganic‒organic hybrid salts of diaminobenzenes and related cations","CrystEngComm","2008","10","5","577","","10.1039/b713261a","","","0.71073","MoKα","","0.0146","0.0109","","","0.0242","0.0244","","","","","","1.064","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201705","17.7932","0.0006","11.6083","0.0004","7.8582","0.0002","90","","90","","90","","1623.1","0.09","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C11 H20 Cl4 Cu N2 -","- C11 H20 Cl4 Cu N2 -","- C44 H80 Cl16 Cu4 N8 -","4","1","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Inorganic‒organic hybrid salts of diaminobenzenes and related cations","CrystEngComm","2008","10","5","577","","10.1039/b713261a","","","0.71073","MoKα","","0.018","0.0161","","","0.04","0.0402","","","","","","1.066","","","","has coordinates,has disorder","180348","2020-10-21","18:00:00",""
"7201706","6.2815","0.0002","10.2466","0.0006","13.925","0.0008","90","","95.672","0.004","90","","891.88","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H17.4 Cl6 Cu2 N2.2 -","- C10 H17.4 Cl6 Cu2 N2.2 -","- C20 H34.8 Cl12 Cu4 N4.4 -","2","0.5","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Inorganic‒organic hybrid salts of diaminobenzenes and related cations","CrystEngComm","2008","10","5","577","","10.1039/b713261a","","","0.71073","MoKα","","0.0337","0.0232","","","0.052","0.0544","","","","","","1.06","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7201707","20.384","0.002","8.4343","0.0009","6.9922","0.0008","90","","93.669","0.009","90","","1199.7","0.2","130","2","130","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C6 H10 Cl4 N2 Pb -","- C6 H10 Cl4 N2 Pb -","- C24 H40 Cl16 N8 Pb4 -","4","1","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Inorganic‒organic hybrid salts of diaminobenzenes and related cations","CrystEngComm","2008","10","5","577","","10.1039/b713261a","","","0.71073","MoKα","","0.028","0.0157","","","0.0283","0.0298","","","","","","0.833","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201708","13.7786","0.0006","34.1194","0.0014","18.7021","0.0007","90","","90","","90","","8792.2","0.6","150","2","150","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C255 H88 Cl17 N33 Pb3 -","- C55 H88 Cl17 N33 Pb3 -","- C220 H352 Cl68 N132 Pb12 -","4","0.5","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Inorganic‒organic hybrid salts of diaminobenzenes and related cations","CrystEngComm","2008","10","5","577","","10.1039/b713261a","","","0.71073","MoKα","","0.0701","0.029","","","0.0576","0.0826","","","","","","0.907","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201709","6.2678","0.0008","10.9577","0.0015","12.7211","0.0018","72.358","0.012","79.396","0.011","75.428","0.012","800.3","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H12 Cl6 Hg2 N2 O -","- C6 H12 Cl6 Hg2 N2 O -","- C12 H24 Cl12 Hg4 N4 O2 -","2","1","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Inorganic‒organic hybrid salts of diaminobenzenes and related cations","CrystEngComm","2008","10","5","577","","10.1039/b713261a","","","0.71073","MoKα","","0.023","0.0177","","","0.0439","0.0558","","","","","","1.213","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201710","7.4183","0.0005","8.2559","0.0006","10.1905","0.0007","82.378","0.006","79.922","0.005","84.856","0.006","607.64","0.07","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H6 Bi Cl4 N3 -","- C6 H6 Bi Cl4 N3 -","- C12 H12 Bi2 Cl8 N6 -","2","1","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Inorganic‒organic hybrid salts of diaminobenzenes and related cations","CrystEngComm","2008","10","5","577","","10.1039/b713261a","","","0.71073","MoKα","","0.0325","0.0245","","","0.0621","0.0753","","","","","","1.156","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201711","7.5046","0.0007","19.506","0.002","11.7808","0.0013","90","","96.597","0.008","90","","1713.1","0.3","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(5H-dibenz(b,f)azepine-5-carboxamide)N,N-dimethyl acetamide solvate","[5H-dibenz(b,f)azepine-5-carboxamide]N,N-dimethyl acetamide solvate","","- C19 H21 N3 O2 -","- C19 H21 N3 O2 -","- C76 H84 N12 O8 -","4","1","","Johnston, Andrea; Johnston, Blair F.; Kennedy, Alan R.; Florence, Alastair J.","Targeted crystallisation of novel carbamazepine solvates based on a retrospective Random Forest classification","CrystEngComm","2008","10","1","23","","10.1039/b713373a","","","0.71073","MoKα","","0.1056","0.0676","","","0.1435","0.1642","","","","","","1.167","","","","has coordinates,has disorder","180348","2020-10-21","18:00:00",""
"7201712","7.5448","0.0004","19.5119","0.001","11.8783","0.0006","90","","98.013","0.003","90","","1731.57","0.16","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(5H-dibenz(b,f)azepine-5-carboxamide) N-methylpyrrolidine solvate","[5H-dibenz(b,f)azepine-5-carboxamide] N-methylpyrrolidine solvate","","- C20 H21 N3 O2 -","- C20 H21 N3 O2 -","- C80 H84 N12 O8 -","4","1","","Johnston, Andrea; Johnston, Blair F.; Kennedy, Alan R.; Florence, Alastair J.","Targeted crystallisation of novel carbamazepine solvates based on a retrospective Random Forest classification","CrystEngComm","2008","10","1","23","","10.1039/b713373a","","","0.71073","MoKα","","0.103","0.0545","","","0.1","0.1174","","","","","","1.062","","","","has coordinates,has disorder","180348","2020-10-21","18:00:00",""
"7201713","10.9242","0.0011","5.1617","0.0005","26.309","0.003","90","","100.104","0.002","90","","1460.5","0.3","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(5H-dibenz(b,f)azepine-5-carboxamide)nitromethane solvate","[5H-dibenz(b,f)azepine-5-carboxamide]nitromethane solvate","","- C16 H15 N3 O3 -","- C16 H15 N3 O3 -","- C64 H60 N12 O12 -","4","1","","Johnston, Andrea; Johnston, Blair F.; Kennedy, Alan R.; Florence, Alastair J.","Targeted crystallisation of novel carbamazepine solvates based on a retrospective Random Forest classification","CrystEngComm","2008","10","1","23","","10.1039/b713373a","","","0.71073","MoKα","","0.1119","0.0516","","","0.0902","0.1083","","","","","","1.057","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201714","10.067","0.005","10.289","0.005","17.046","0.007","76.54","0.03","88.64","0.03","85.93","0.03","1712.7","1.4","294","","","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H24 Br2 Cl4 N2 S -","- C36 H24 Br2 Cl4 N2 S -","- C72 H48 Br4 Cl8 N4 S2 -","2","1","","Alshahateet, Solhe F.; Bishop, Roger; Craig, Donald C.; Kooli, Fethi; Scudder, Marcia L.","The Janus-like behaviour of sulfur in substituted diquinoline inclusion crystal structures","CrystEngComm","2008","10","3","297","","10.1039/b713533p","","","0.71073","MoKα","","","0.053","","","","0.064","","","","","","1.83","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201715","10.204","0.005","10.564","0.005","15.804","0.007","104.64","0.03","99.74","0.03","93.26","0.03","1615.6","1.3","294","","","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H30 Br2 N2 O S -","- C38 H30 Br2 N2 O S -","- C76 H60 Br4 N4 O2 S2 -","2","1","","Alshahateet, Solhe F.; Bishop, Roger; Craig, Donald C.; Kooli, Fethi; Scudder, Marcia L.","The Janus-like behaviour of sulfur in substituted diquinoline inclusion crystal structures","CrystEngComm","2008","10","3","297","","10.1039/b713533p","","","0.71073","MoKα","","","0.065","","","","0.082","","","","","","1.68","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201716","10.001","0.006","10.437","0.005","20.029","0.008","78.18","0.03","77.99","0.03","83.9","0.02","1997.1","1.8","294","","","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H32 Br2 Cl2 N2 S -","- C46 H32 Br2 Cl2 N2 S -","- C92 H64 Br4 Cl4 N4 S2 -","2","1","","Alshahateet, Solhe F.; Bishop, Roger; Craig, Donald C.; Kooli, Fethi; Scudder, Marcia L.","The Janus-like behaviour of sulfur in substituted diquinoline inclusion crystal structures","CrystEngComm","2008","10","3","297","","10.1039/b713533p","","","0.71073","MoKα","","","0.059","","","","0.075","","","","","","1.63","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201717","10.085","0.004","10.509","0.004","15.811","0.006","106.24","0.02","100.09","0.02","92.01","0.02","1577.7","1.1","294","","","","","","","","","","","6","P -1","-P 1","2","","","","- C35 H24 Br2 Cl2 N2 S -","- C35 H24 Br2 Cl2 N2 S -","- C70 H48 Br4 Cl4 N4 S2 -","2","1","","Alshahateet, Solhe F.; Bishop, Roger; Craig, Donald C.; Kooli, Fethi; Scudder, Marcia L.","The Janus-like behaviour of sulfur in substituted diquinoline inclusion crystal structures","CrystEngComm","2008","10","3","297","","10.1039/b713533p","","","0.71073","MoKα","","","0.06","","","","0.077","","","","","","1.64","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201718","9.964","0.005","10.551","0.005","15.788","0.008","104.96","0.03","99.56","0.03","97.3","0.03","1555.9","1.4","294","","","","","","","","","","","5","P -1","-P 1","2","","","","- C35 H22 Br2 N2 S3 -","- C35 H22 Br2 N2 S3 -","- C70 H44 Br4 N4 S6 -","2","1","","Alshahateet, Solhe F.; Bishop, Roger; Craig, Donald C.; Kooli, Fethi; Scudder, Marcia L.","The Janus-like behaviour of sulfur in substituted diquinoline inclusion crystal structures","CrystEngComm","2008","10","3","297","","10.1039/b713533p","","","0.71073","MoKα","","","0.064","","","","0.071","","","","","","1.85","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201719","21.421","0.008","8.159","0.001","17.182","0.006","90","","116.29","0.02","90","","2692.4","1.5","294","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H22 Br2 N2 S -","- C34 H22 Br2 N2 S -","- C136 H88 Br8 N8 S4 -","4","0.5","","Alshahateet, Solhe F.; Bishop, Roger; Craig, Donald C.; Kooli, Fethi; Scudder, Marcia L.","The Janus-like behaviour of sulfur in substituted diquinoline inclusion crystal structures","CrystEngComm","2008","10","3","297","","10.1039/b713533p","","","0.71073","MoKα","","","0.047","","","","0.073","","","","","","1.75","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201720","9.7356","0.0015","26.301","0.004","10.4093","0.0018","90","","109.84","0.004","90","","2507.2","0.7","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H24 N2 S -","- C34 H24 N2 S -","- C136 H96 N8 S4 -","4","1","","Alshahateet, Solhe F.; Bishop, Roger; Craig, Donald C.; Kooli, Fethi; Scudder, Marcia L.","The Janus-like behaviour of sulfur in substituted diquinoline inclusion crystal structures","CrystEngComm","2008","10","3","297","","10.1039/b713533p","","","0.71073","MoKα","","0.1687","0.0583","","","0.1199","0.1523","","","","","","0.902","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201723","12.964","0.003","10.681","0.002","22.543","0.005","90","","96.89","0.03","90","","3099","1.2","113","2","113","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","1,4-Di-(5H-dibenzo[a,d]cyclohepten-5-ol)-buta-1,3-diyne acetone inclusion compound","","- C40 H34 O4 -","- C40 H34 O4 -","- C160 H136 O16 -","4","0.5","","Jacobs, Ayesha; Masuku, Nana L. Z.; Nassimbeni, Luigi R.; Taljaard, Jana H.","Inclusion of pyridine and acetone by a diol host: structure, thermal stability and kinetics of desolvation","CrystEngComm","2008","10","3","322","","10.1039/b713769a","","","0.71073","MoKα","","0.0631","0.0392","","","0.095","0.1046","","","","","","1.056","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201724","12.037","0.002","8.1743","0.0016","16.658","0.003","90","","98.95","0.03","90","","1619.1","0.5","113","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,4-Di-(5H-dibenzo[a,d]cyclohepten-5-ol)-buta-1,3-diyne pyridine inclusion compound","","- C44 H32 N2 O2 -","- C44 H32 N2 O2 -","- C88 H64 N4 O4 -","2","0.5","","Jacobs, Ayesha; Masuku, Nana L. Z.; Nassimbeni, Luigi R.; Taljaard, Jana H.","Inclusion of pyridine and acetone by a diol host: structure, thermal stability and kinetics of desolvation","CrystEngComm","2008","10","3","322","","10.1039/b713769a","","","0.71073","MoKα","","0.0986","0.0451","","","0.087","0.1011","","","","","","0.929","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201725","9.603","0.002","26.188","0.004","10.334","0.002","90","","109.838","0.003","90","","2444.6","0.8","150","","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C35 H26 N2 -","- C35 H26 N2 -","- C140 H104 N8 -","4","1","","Ashmore, Jason; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","The structural convergence of two aromatic inclusion host families","CrystEngComm","2008","10","1","131","","10.1039/b713854g","","","0.71073","MoKα","","","0.052","","","","0.067","","","","","","1.65","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201726","10.34","0.004","13.73","0.004","14.37","0.005","102.34","0.02","92.6","0.02","102.99","0.02","1932.6","1.2","294","","","","","","","","","","","3","P -1","-P 1","2","","","","- C54 H42 N2 -","- C54 H42 N2 -","- C108 H84 N4 -","2","1","","Ashmore, Jason; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","The structural convergence of two aromatic inclusion host families","CrystEngComm","2008","10","1","131","","10.1039/b713854g","","","0.71073","MoKα","","","0.063","","","","0.067","","","","","","1.65","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201727","10.342","0.004","13.641","0.006","14.134","0.006","103.21","0.03","93.07","0.02","103.41","0.03","1876.3","1.4","294","","","","","","","","","","","4","P -1","-P 1","2","","","","- C48 H35 Cl3 N2 -","- C48 H35 Cl3 N2 -","- C96 H70 Cl6 N4 -","2","1","","Ashmore, Jason; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","The structural convergence of two aromatic inclusion host families","CrystEngComm","2008","10","1","131","","10.1039/b713854g","","","0.71073","MoKα","","","0.06","","","","0.066","","","","","","1.68","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201728","9.0337","0.0018","9.843","0.002","15.579","0.003","90","","91.85","0.03","90","","1384.5","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6 Hg N12 O0 -","- C10 H6 Hg N12 -","- C40 H24 Hg4 N48 -","4","1","","Tao, Ying; Li, Jian-Rong; Yu, Qun; Song, Wei-Chao; Tong, Xiao-Lan; Bu, Xian-He","Coordination architectures of 2-(1H-tetrazol-5-yl)pyrazine with group IIB metal ions: luminescence and structural dependence on the metal ions and preparing conditions","CrystEngComm","2008","10","6","699","","10.1039/b714081a","","","0.71073","MoKα","","0.0267","0.0215","","","0.0443","0.046","","","","","","1.057","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201729","10.235","0.002","9.3638","0.0019","13.445","0.003","90","","93.34","0.03","90","","1286.4","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6 Hg N12 O0 -","- C10 H6 Hg N12 -","- C40 H24 Hg4 N48 -","4","1","","Tao, Ying; Li, Jian-Rong; Yu, Qun; Song, Wei-Chao; Tong, Xiao-Lan; Bu, Xian-He","Coordination architectures of 2-(1H-tetrazol-5-yl)pyrazine with group IIB metal ions: luminescence and structural dependence on the metal ions and preparing conditions","CrystEngComm","2008","10","6","699","","10.1039/b714081a","","","0.71073","MoKα","","0.0265","0.0228","","","0.0436","0.0448","","","","","","1.079","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201730","6.7077","0.0013","11.695","0.002","23.855","0.006","90","","90","","90","","1871.3","0.7","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C5 H3 Br Hg N6 -","- C5 H3 Br Hg N6 -","- C40 H24 Br8 Hg8 N48 -","8","1","","Tao, Ying; Li, Jian-Rong; Yu, Qun; Song, Wei-Chao; Tong, Xiao-Lan; Bu, Xian-He","Coordination architectures of 2-(1H-tetrazol-5-yl)pyrazine with group IIB metal ions: luminescence and structural dependence on the metal ions and preparing conditions","CrystEngComm","2008","10","6","699","","10.1039/b714081a","","","0.7107","MoKα","","0.0833","0.0556","","","0.1342","0.1514","","","","","","1.007","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201735","9.7496","0.0009","19.3384","0.0012","13.2982","0.001","90","","103.445","0.003","90","","2438.5","0.3","298","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H32 N6 O4 -","- C23 H32 N6 O4 -","- C92 H128 N24 O16 -","4","1","","Srivijaya, R.; Vishweshwar, Peddy; Sreekanth, B. R.; Vyas, K.","Crystalline forms and aqueous solubilities of an IBS drug, tegaserod","CrystEngComm","2008","10","3","283","","10.1039/b714374p","","","0.7107","MoKα","","","0.0553","","","","0.0734","","","","","","1.068","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201736","7.395","0.004","11.218","0.006","20.202","0.01","90","","90","","90","","1675.9","1.5","298","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 N5 O -","- C16 H23 N5 O -","- C64 H92 N20 O4 -","4","1","","Srivijaya, R.; Vishweshwar, Peddy; Sreekanth, B. R.; Vyas, K.","Crystalline forms and aqueous solubilities of an IBS drug, tegaserod","CrystEngComm","2008","10","3","283","","10.1039/b714374p","","","0.7107","MoKα","","","0.0466","","","","0.0975","","","","","","0.997","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201737","7.111","0.003","10.857","0.005","23.106","0.01","90","","93.241","0.004","90","","1781","1.4","298","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H25 N5 O2 -","- C16 H16 N5 O2 -","- C64 H64 N20 O8 -","4","1","","Srivijaya, R.; Vishweshwar, Peddy; Sreekanth, B. R.; Vyas, K.","Crystalline forms and aqueous solubilities of an IBS drug, tegaserod","CrystEngComm","2008","10","3","283","","10.1039/b714374p","","","0.7107","MoKα","","","0.0601","","","","0.0989","","","","","","1.083","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201738","10.049","0.005","12.328","0.007","12.493","0.007","61.25","0.02","85.985","0.019","88.86","0.02","1353.4","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H28 N4 O5 Zn -","- C30 H28 N4 O5 Zn -","- C60 H56 N8 O10 Zn2 -","2","1","","Liu, Ying-Ying; Ma, Jian-Fang; Yang, Jin; Ma, Ji-Cheng; Ping, Guang-Ju","Structures of metal-organic networks based on flexible 1,1′-(1,4-butanediyl)bis(imidazole-2-phenyl) ligand","CrystEngComm","2008","10","5","565","","10.1039/b714399k","","","0.71069","MoKα","","0.0837","0.0569","","","0.1391","0.1573","","","","","","1.094","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201739","10.2794","0.0008","18.8728","0.0014","15.7393","0.0012","90","","98.595","0.002","90","","3019.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 N4 O5 Zn -","- C30 H28 N4 O5 Zn -","- C120 H112 N16 O20 Zn4 -","4","1","","Liu, Ying-Ying; Ma, Jian-Fang; Yang, Jin; Ma, Ji-Cheng; Ping, Guang-Ju","Structures of metal-organic networks based on flexible 1,1′-(1,4-butanediyl)bis(imidazole-2-phenyl) ligand","CrystEngComm","2008","10","5","565","","10.1039/b714399k","","","0.71069","MoKα","","0.1974","0.064","","","0.1364","0.1865","","","","","","0.932","","","","has coordinates,has disorder","180348","2020-10-21","18:00:00",""
"7201740","10.3356","0.0003","15.3573","0.0003","17.2719","0.0006","90","","90","","90","","2741.52","0.14","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H26 Cd N4 O4 -","- C30 H26 Cd N4 O4 -","- C120 H104 Cd4 N16 O16 -","4","1","","Liu, Ying-Ying; Ma, Jian-Fang; Yang, Jin; Ma, Ji-Cheng; Ping, Guang-Ju","Structures of metal-organic networks based on flexible 1,1′-(1,4-butanediyl)bis(imidazole-2-phenyl) ligand","CrystEngComm","2008","10","5","565","","10.1039/b714399k","","","0.71069","MoKα","","0.0826","0.0428","","","0.0914","0.1076","","","","","","0.933","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201741","9.152","0.003","15.389","0.005","19.91","0.007","90","","92.134","0.007","90","","2802.2","1.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H26 N4 O5 Zn -","- C30 H26 N4 O5 Zn -","- C120 H104 N16 O20 Zn4 -","4","1","","Liu, Ying-Ying; Ma, Jian-Fang; Yang, Jin; Ma, Ji-Cheng; Ping, Guang-Ju","Structures of metal-organic networks based on flexible 1,1′-(1,4-butanediyl)bis(imidazole-2-phenyl) ligand","CrystEngComm","2008","10","5","565","","10.1039/b714399k","","","0.71069","MoKα","","0.058","0.0379","","","0.0888","0.0981","","","","","","1.038","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201742","10.121","0.006","15.47","0.009","17.597","0.001","90","","90","","90","","2755","2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H26 Cd N4 O5 -","- C30 H26 Cd N4 O5 -","- C120 H104 Cd4 N16 O20 -","4","1","","Liu, Ying-Ying; Ma, Jian-Fang; Yang, Jin; Ma, Ji-Cheng; Ping, Guang-Ju","Structures of metal-organic networks based on flexible 1,1′-(1,4-butanediyl)bis(imidazole-2-phenyl) ligand","CrystEngComm","2008","10","5","565","","10.1039/b714399k","","","0.71069","MoKα","","0.122","0.0561","","","0.1052","0.1314","","","","","","0.926","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201743","17.042","0.005","10.357","0.004","14.27","0.004","90","","90","","90","","2518.7","1.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H26 N4 O5 Zn -","- C26 H26 N4 O5 Zn -","- C104 H104 N16 O20 Zn4 -","4","1","","Liu, Ying-Ying; Ma, Jian-Fang; Yang, Jin; Ma, Ji-Cheng; Ping, Guang-Ju","Structures of metal-organic networks based on flexible 1,1′-(1,4-butanediyl)bis(imidazole-2-phenyl) ligand","CrystEngComm","2008","10","5","565","","10.1039/b714399k","","","0.71069","MoKα","","0.054","0.0356","","","0.0759","0.0818","","","","","","1.016","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201744","16.091","0.006","16.091","0.006","8.041","0.004","90","","90","","90","","2082","1.5","293","2","293","2","","","","","","","","4","P 42/n :2","-P 4bc","86","1,1'-(1,4-butanediyl)bis(imidazole-2-phenyl)dihydrate","1,1'-(1,4-butanediyl)bis(imidazole-2-phenyl)dihydrate","","- C22 H26 N4 O2 -","- C22 H26 N4 O2 -","- C88 H104 N16 O8 -","4","0.5","","Liu, Ying-Ying; Ma, Jian-Fang; Yang, Jin; Ma, Ji-Cheng; Ping, Guang-Ju","Structures of metal-organic networks based on flexible 1,1′-(1,4-butanediyl)bis(imidazole-2-phenyl) ligand","CrystEngComm","2008","10","5","565","","10.1039/b714399k","","","0.71069","MoKα","","0.1678","0.0847","","","0.1273","0.1511","","","","","","1.107","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201745","9.5205","0.0019","9.4077","0.0019","11.694","0.002","90","","98.11","0.03","90","","1036.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 N2 Ni O6 -","- C24 H20 N2 Ni O6 -","- C48 H40 N4 Ni2 O12 -","2","0.5","","Zhong, Rui-Qin; Zou, Ru-Qiang; Du, Miao; Jiang, Ling; Yamada, Tetsuya; Maruta, Goro; Takeda, Sadamu; Xu, Qiang","Metal‒organic coordination architectures with 3-pyridin-3-yl-benzoate: crystal structures, fluorescent emission and magnetic properties","CrystEngComm","2008","10","5","605","","10.1039/b714491a","","","0.71073","MoKα","","0.0269","0.0243","","","0.0614","0.0622","","","","","","1.054","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201746","9.915","0.002","12.442","0.003","17.504","0.004","90","","104.17","0.03","90","","2093.6","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 N2 Ni O5 -","- C24 H16 N2 Ni O5 -","- C96 H64 N8 Ni4 O20 -","4","1","","Zhong, Rui-Qin; Zou, Ru-Qiang; Du, Miao; Jiang, Ling; Yamada, Tetsuya; Maruta, Goro; Takeda, Sadamu; Xu, Qiang","Metal‒organic coordination architectures with 3-pyridin-3-yl-benzoate: crystal structures, fluorescent emission and magnetic properties","CrystEngComm","2008","10","5","605","","10.1039/b714491a","","","0.71073","MoKα","","0.0747","0.0511","","","0.1356","0.1486","","","","","","1.109","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201747","9.5166","0.0019","9.4361","0.0019","11.74","0.002","90","","98.19","0.03","90","","1043.5","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Co N2 O6 -","- C24 H20 Co N2 O6 -","- C48 H40 Co2 N4 O12 -","2","0.5","","Zhong, Rui-Qin; Zou, Ru-Qiang; Du, Miao; Jiang, Ling; Yamada, Tetsuya; Maruta, Goro; Takeda, Sadamu; Xu, Qiang","Metal‒organic coordination architectures with 3-pyridin-3-yl-benzoate: crystal structures, fluorescent emission and magnetic properties","CrystEngComm","2008","10","5","605","","10.1039/b714491a","","","0.71073","MoKα","","0.0288","0.0262","","","0.0706","0.0721","","","","","","1.082","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201748","9.917","0.002","12.4","0.003","17.506","0.004","90","","104.19","0.03","90","","2087","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 N2 O5 Zn -","- C24 H18 N2 O5 Zn -","- C96 H72 N8 O20 Zn4 -","4","1","","Zhong, Rui-Qin; Zou, Ru-Qiang; Du, Miao; Jiang, Ling; Yamada, Tetsuya; Maruta, Goro; Takeda, Sadamu; Xu, Qiang","Metal‒organic coordination architectures with 3-pyridin-3-yl-benzoate: crystal structures, fluorescent emission and magnetic properties","CrystEngComm","2008","10","5","605","","10.1039/b714491a","","","0.71073","MoKα","","0.1758","0.0679","","","0.1306","0.1637","","","","","","0.972","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201749","9.0261","0.0018","10.445","0.002","10.763","0.002","90","","100.65","0.03","90","","997.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 Cu N2 O4 -","- C24 H16 Cu N2 O4 -","- C48 H32 Cu2 N4 O8 -","2","0.5","","Zhong, Rui-Qin; Zou, Ru-Qiang; Du, Miao; Jiang, Ling; Yamada, Tetsuya; Maruta, Goro; Takeda, Sadamu; Xu, Qiang","Metal‒organic coordination architectures with 3-pyridin-3-yl-benzoate: crystal structures, fluorescent emission and magnetic properties","CrystEngComm","2008","10","5","605","","10.1039/b714491a","","","0.71073","MoKα","","0.116","0.0702","","","0.1567","0.2035","","","","","","1.129","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201750","8.9065","0.0018","10.509","0.002","20.801","0.004","90","","94.5","0.03","90","","1940.9","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 Cd N2 O4 -","- C24 H16 Cd N2 O4 -","- C96 H64 Cd4 N8 O16 -","4","1","","Zhong, Rui-Qin; Zou, Ru-Qiang; Du, Miao; Jiang, Ling; Yamada, Tetsuya; Maruta, Goro; Takeda, Sadamu; Xu, Qiang","Metal‒organic coordination architectures with 3-pyridin-3-yl-benzoate: crystal structures, fluorescent emission and magnetic properties","CrystEngComm","2008","10","5","605","","10.1039/b714491a","","","0.71073","MoKα","","0.0385","0.0292","","","0.0637","0.0668","","","","","","1.069","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201751","9.956","0.002","13.411","0.003","24.079","0.005","93.28","0.03","91.31","0.03","93.43","0.03","3202.9","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H56 Gd2 N6 O16 -","- C72 H56 Gd2 N6 O16 -","- C144 H112 Gd4 N12 O32 -","2","1","","Zhong, Rui-Qin; Zou, Ru-Qiang; Du, Miao; Jiang, Ling; Yamada, Tetsuya; Maruta, Goro; Takeda, Sadamu; Xu, Qiang","Metal‒organic coordination architectures with 3-pyridin-3-yl-benzoate: crystal structures, fluorescent emission and magnetic properties","CrystEngComm","2008","10","5","605","","10.1039/b714491a","","","0.71073","MoKα","","0.1712","0.0917","","","0.2098","0.2587","","","","","","0.994","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201754","3.7956","0.0001","11.9933","0.0003","14.9907","0.0004","90","","90.631","0.003","90","","682.36","0.03","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","7-Fluoroisatin Form I","7-Fluoroisatin Form I","","- C8 H4 F N O2 -","- C8 H4 F N O2 -","- C32 H16 F4 N4 O8 -","4","1","","Mohamed, Sharmarke; Barnett, Sarah A.; Tocher, Derek A.; Price, Sarah L.; Shankland, Kenneth; Leech, Charlotte K.","Discovery of three polymorphs of 7-fluoroisatin reveals challenges in using computational crystal structure prediction as a complement to experimental screening","CrystEngComm","2008","","","","","10.1039/b714566g","","","0.71073","MoKα","","0.0388","0.0304","","","0.0784","0.0817","","","","","","1.102","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201755","8.1207","0.0013","8.2351","0.0015","12.394","0.004","70.87","0.02","85.834","0.017","61.023","0.017","681.3","0.3","123","2","123","2","","","","","","","","5","P -1","-P 1","2","7-Fluoroisatin Form II","7-Fluoroisatin Form II","","- C8 H4 F N O2 -","- C8 H4 F N O2 -","- C32 H16 F4 N4 O8 -","4","2","","Mohamed, Sharmarke; Barnett, Sarah A.; Tocher, Derek A.; Price, Sarah L.; Shankland, Kenneth; Leech, Charlotte K.","Discovery of three polymorphs of 7-fluoroisatin reveals challenges in using computational crystal structure prediction as a complement to experimental screening","CrystEngComm","2008","","","","","10.1039/b714566g","","","0.71073","MoKα","","0.0554","0.034","","","0.0746","0.0815","","","","","","1.04","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201756","7.1988","0.0003","12.7677","0.0005","14.9468","0.0007","90","","91.702","0.003","90","","1373.19","0.1","123","2","123","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","7-Fluoroisatin Form III","7-Fluoroisatin Form III","","- C8 H4 F N O2 -","- C8 H4 F N O2 -","- C64 H32 F8 N8 O16 -","8","2","","Mohamed, Sharmarke; Barnett, Sarah A.; Tocher, Derek A.; Price, Sarah L.; Shankland, Kenneth; Leech, Charlotte K.","Discovery of three polymorphs of 7-fluoroisatin reveals challenges in using computational crystal structure prediction as a complement to experimental screening","CrystEngComm","2008","","","","","10.1039/b714566g","","","0.71073","MoKα","","0.1265","0.0787","","","0.1514","0.1757","","","","","","1.168","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201757","48.1953","0.001","8.2248","0.0002","7.9892","0.0002","90","","90","","90","","3166.89","0.13","100","2","100","2","","","","","","","","5","P m c 21","P 2c -2","26","","","","- C28 H36 Cd Cl6 N4 -","- C27.995 H36 Cd Cl6 N4 -","- C111.98 H144 Cd4 Cl24 N16 -","4","1","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Structures of hybrid inorganic‒organic salts with benzidine dication derivatives","CrystEngComm","2008","10","5","525","","10.1039/b714587j","","","0.71073","MoKα","","0.0771","0.0693","","","0.1715","0.1776","","","","","","1.13","","","","has coordinates,has disorder","180348","2020-10-21","18:00:00",""
"7201758","29.3171","0.0015","6.7258","0.0002","10.7881","0.0004","90","","90","","90","","2127.21","0.15","100","2","100","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C12 H10 Cd Cl8 N2 O3 -","- C12 H10 Cd Cl7.99 N2 O3 -","- C48 H40 Cd4 Cl31.96 N8 O12 -","4","0.5","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Structures of hybrid inorganic‒organic salts with benzidine dication derivatives","CrystEngComm","2008","10","5","525","","10.1039/b714587j","","","0.71073","MoKα","","0.0585","0.0498","","","0.1119","0.1135","","","","","","1.356","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201759","25.3329","0.0009","6.7202","0.0002","18.5449","0.0005","90","","90","","90","","3157.12","0.17","100","2","100","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C24 H24 Cl10 Cu N4 O2 -","- C24 H24 Cl10 Cu N4 O2 -","- C96 H96 Cl40 Cu4 N16 O8 -","4","0.5","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Structures of hybrid inorganic‒organic salts with benzidine dication derivatives","CrystEngComm","2008","10","5","525","","10.1039/b714587j","","","0.71073","MoKα","","0.0376","0.0264","","","0.0545","0.0557","","","","","","0.938","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201760","10.8203","0.0009","13.0489","0.001","29.142","0.002","90","","91.024","0.006","90","","4114","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 Cl8 Cu N2 O2 -","- C12 H10 Cl8 Cu N2 O2 -","- C96 H80 Cl64 Cu8 N16 O16 -","8","2","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Structures of hybrid inorganic‒organic salts with benzidine dication derivatives","CrystEngComm","2008","10","5","525","","10.1039/b714587j","","","0.71073","MoKα","","0.1588","0.0948","","","0.2834","0.323","","","","","","0.957","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201761","23.7172","0.0016","6.6016","0.0006","23.7876","0.0016","90","","107.361","0.006","90","","3554.8","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 Cl4 Hg N2 -","- C14 H18 Cl4 Hg N2 -","- C112 H144 Cl32 Hg8 N16 -","8","1","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Structures of hybrid inorganic‒organic salts with benzidine dication derivatives","CrystEngComm","2008","10","5","525","","10.1039/b714587j","","","0.71073","MoKα","","0.0642","0.0282","","","0.066","0.0842","","","","","","0.986","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201762","28.384","0.006","8.0158","0.0016","7.7897","0.0016","90","","91.8","0.03","90","","1771.4","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 Cl4 N2 Pb -","- C14 H18 Cl4 N2 Pb -","- C56 H72 Cl16 N8 Pb4 -","4","1","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Structures of hybrid inorganic‒organic salts with benzidine dication derivatives","CrystEngComm","2008","10","5","525","","10.1039/b714587j","","","0.71073","MoKα","","0.1138","0.099","","","0.3082","0.3334","","","","","","1.358","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201763","34.087","0.007","7.9663","0.0012","7.6109","0.0012","90","","97.438","0.015","90","","2049.3","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H6 Cl4 N Pb -","- C6 H6 Cl4 N Pb -","- C48 H48 Cl32 N8 Pb8 -","8","1","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Structures of hybrid inorganic‒organic salts with benzidine dication derivatives","CrystEngComm","2008","10","5","525","","10.1039/b714587j","","","0.71073","MoKα","","0.1172","0.0998","","","0.3079","0.3237","","","","","","1.227","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201764","9.6773","0.0005","21.6939","0.0009","9.3825","0.0006","90","","115.312","0.002","90","","1780.64","0.17","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 Cu La N2 O9.5 -","- C14 H8 Cu La N2 O9.5 -","- C56 H32 Cu4 La4 N8 O38 -","4","1","","Cheng, Jian-Wen; Zheng, Shou-Tian; Liu, Wei; Yang, Guo-Yu","An unusual eight-connected self-penetrating ilc net constructed by dinuclear lanthanide building units","CrystEngComm","2008","10","6","765","","10.1039/b715058j","","","0.71073","MoKα","","0.0323","0.0293","","","0.0752","0.0773","","","","","","1.109","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201765","19.8553","0.0005","7.898","0.0002","17.0579","0.0004","90","","95.904","0.001","90","","2660.78","0.11","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C11 H8 F3 I N2 O2 -","- C11 H8 F3 I N2 O2 -","- C88 H64 F24 I8 N16 O16 -","8","1","","Marten, J.; Seichter, W.; Weber, E.; Böhme, U.","Crystalline packings of diketoarylhydrazones controlled by a methyl for trifluoromethyl structural change","CrystEngComm","2008","10","5","541","","10.1039/b715090c","","","0.71073","MoKα","","0.0793","0.0374","","","0.093","0.1143","","","","","","0.918","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201766","7.9355","0.0003","7.9685","0.0003","11.1563","0.0005","88.762","0.002","81.264","0.002","61.612","0.001","612.39","0.04","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H11 I N2 O2 -","- C11 H11 I N2 O2 -","- C22 H22 I2 N4 O4 -","2","1","","Marten, J.; Seichter, W.; Weber, E.; Böhme, U.","Crystalline packings of diketoarylhydrazones controlled by a methyl for trifluoromethyl structural change","CrystEngComm","2008","10","5","541","","10.1039/b715090c","","","0.71073","MoKα","","0.0744","0.0491","","","0.1781","0.1973","","","","","","1.093","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201767","19.9387","0.0006","19.9387","0.0006","6.7572","0.0003","90","","90","","90","","2686.34","0.17","93","2","93","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C44 H20 F24 I4 N8 O8 -","- C44 H20 F24 I4 N8 O8 -","- C88 H40 F48 I8 N16 O16 -","2","0.25","","Marten, J.; Seichter, W.; Weber, E.; Böhme, U.","Crystalline packings of diketoarylhydrazones controlled by a methyl for trifluoromethyl structural change","CrystEngComm","2008","10","5","541","","10.1039/b715090c","","","0.71073","MoKα","","0.0463","0.0374","","","0.098","0.1057","","","","","","1.079","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201768","7.143","0.002","6.409","0.001","15.748","0.003","90","","90.14","0.03","90","","720.9","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H11 N2 O -","- C7 H11 N2 O -","- C28 H44 N8 O4 -","4","1","","Muniz-Miranda, Maurizio; Pagliai, Marco; Cardini, Gianni; Messori, Luigi; Bruni, Bruno; Casini, Angela; Di Vaira, Massimo; Schettino, Vincenzo","A multi-technique approach to predicting the molecular structure of cuprizone in the gas phase and in the crystalline state","CrystEngComm","2008","","","","","10.1039/b715131d","","","1.5418","CuKα","","0.0953","0.089","","","0.2484","0.2523","","","","","","1.099","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201769","7.8047","0.001","17.461","0.002","13.908","0.0017","90","","122.842","0.006","90","","1592.4","0.4","123","1","123","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[CuL2](cdm)","","","- C32 H28 Cu N10 O6 -","- C32 H28 Cu N10 O6 -","- C64 H56 Cu2 N20 O12 -","2","0.5","","Turner, David R.; Batten, Stuart R.","A guest-templated (6,3)-sheet constructed using asymmetric hydrogen-bonding anions","CrystEngComm","2008","10","2","170","","10.1039/b715135g","","","0.71073","MoKα","","0.1174","0.0863","","","0.1596","0.175","","","","","","1.218","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201770","5.792","0.0004","9.9488","0.0007","12.1657","0.0008","98.753","0.002","103.129","0.001","91.122","0.001","673.69","0.08","297","2","297","2","","","","","","","","4","P -1","-P 1","2","Recognition of Dicarboxylic Acids by 3,3/-Bipyridine Amide Based Receptors and Its Supramolecular Behavior in the Solid State","","","- C13 H18 N2 O3 -","- C13 H18 N2 O3 -","- C26 H36 N4 O6 -","2","1","","Goswami, Shyamaprosad; Jana, Subrata; Fun, Hoong-Kun","Recognition of dicarboxylic acids by 3,3′-bipyridine amide based receptors and its supramolecular behavior in solid state","CrystEngComm","2008","10","5","507","","10.1039/b715136e","","","0.71073","MoKα","","0.1151","0.058","","","0.1494","0.1851","","","","","","1.021","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201771","6.4295","0.0003","9.885","0.0004","21.8431","0.0009","90","","93.739","0.003","90","","1385.3","0.1","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H36 N4 O6 -","- C30 H36 N4 O6 -","- C60 H72 N8 O12 -","2","0.5","","Goswami, Shyamaprosad; Jana, Subrata; Fun, Hoong-Kun","Recognition of dicarboxylic acids by 3,3′-bipyridine amide based receptors and its supramolecular behavior in solid state","CrystEngComm","2008","10","5","507","","10.1039/b715136e","","","0.71073","MoKα","","0.0835","0.0523","","","0.1199","0.1337","","","","","","1.085","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201772","5.8375","0.0001","15.957","0.0002","10.3299","0.00001","90","","95.814","0.001","90","","957.27","0.02","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Recognition of Dicarboxylic Acids by 3,3/-Bipyridine Amide Based Receptors and Its Supramolecular Behavior in the Solid State","","","- C20 H26 N4 O2 -","- C20 H26 N4 O2 -","- C40 H52 N8 O4 -","2","0.5","","Goswami, Shyamaprosad; Jana, Subrata; Fun, Hoong-Kun","Recognition of dicarboxylic acids by 3,3′-bipyridine amide based receptors and its supramolecular behavior in solid state","CrystEngComm","2008","10","5","507","","10.1039/b715136e","","","0.71073","MoKα","","0.096","0.0578","","","0.1495","0.1702","","","","","","1.083","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201773","7.8176","0.0015","7.8319","0.0017","14.98","0.003","93.936","0.01","90.901","0.008","94.753","0.009","911.7","0.3","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H7 F3 O2 -","- C10 H7 F3 O2 -","- C40 H28 F12 O8 -","4","2","","Howard, Judith A. K.; Sparkes, Hazel A.","Trans-4-(trifluoromethyl) cinnamic acid: Structural characterisation and crystallographic investigation into the temperature induced phase transition","CrystEngComm","2008","10","5","502","","10.1039/b715349j","","","0.71073","MoKα","","0.0805","0.0509","","","0.1365","0.1604","","","","","","1.021","","","","has coordinates,has disorder","180348","2020-10-21","18:00:00",""
"7201774","7.693","0.003","7.816","0.004","15.076","0.007","94.028","0.012","90.878","0.011","94.675","0.014","901","0.7","145","2","145","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H7 F3 O2 -","- C10 H7 F3 O2 -","- C40 H28 F12 O8 -","4","2","","Howard, Judith A. K.; Sparkes, Hazel A.","Trans-4-(trifluoromethyl) cinnamic acid: Structural characterisation and crystallographic investigation into the temperature induced phase transition","CrystEngComm","2008","10","5","502","","10.1039/b715349j","","","0.71073","MoKα","","0.0711","0.0473","","","0.1325","0.1512","","","","","","1.054","","","","has coordinates,has disorder","180348","2020-10-21","18:00:00",""
"7201775","27.558","0.011","7.783","0.004","16.868","0.006","95.689","0.014","94.632","0.019","94.56","0.02","3574","3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H7 F3 O2 -","- C10 H7 F3 O2 -","- C160 H112 F48 O32 -","16","8","","Howard, Judith A. K.; Sparkes, Hazel A.","Trans-4-(trifluoromethyl) cinnamic acid: Structural characterisation and crystallographic investigation into the temperature induced phase transition","CrystEngComm","2008","10","5","502","","10.1039/b715349j","","","0.71073","MoKα","","0.1145","0.059","","","0.1466","0.1749","","","","","","1.033","","","","has coordinates,has disorder","180348","2020-10-21","18:00:00",""
"7201776","6.7881","0.0014","8.4503","0.0015","11.744","0.002","86.875","0.014","86.256","0.015","88.459","0.015","671","0.2","110","","110","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H8 N8 O7 Pb -","- C10 H6 N8 O7 Pb -","- C20 H12 N16 O14 Pb2 -","2","1","","Sattar, Simeen; Carroll, Megan J.; Sargeant, Amy A.; Swift, Jennifer A.","Structure of a lead urate complex and its effect on the nucleation of monosodium urate monohydrate","CrystEngComm","2008","10","2","155","","10.1039/b715586g","","","0.71073","MoKα","","0.0698","0.0554","","","0.1245","0.1349","","","","","","1.083","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201777","12.6319","0.0015","9.5554","0.0014","11.0036","0.0022","90","","90","","90","","1328.2","0.4","293","","","","4780000","","","","","","","4","P c a 21","P 2c -2ac","29","cyclotrimethylene-trinitramine","cyclotrimethylene-trinitramine","","- C3 D6 N6 O6 -","- C3 D6 N6 O6 -","- C24 D48 N48 O48 -","8","2","","Davidson, Alistair J.; Oswald, Iain D. H.; Francis, Duncan J.; Lennie, Alistair R.; Marshall, William G.; Millar, David I. A.; Pulham, Colin R.; Warren, John E.; Cumming, Adam S.","Explosives under pressure—the crystal structure of γ-RDX as determined by high-pressure X-ray and neutron diffraction","CrystEngComm","2008","10","2","162","","10.1039/b715677b","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201778","12.565","0.0019","9.4769","0.0006","10.9297","0.0009","90","","90","","90","","1301.5","0.2","293","","293","","","","5200000","","","","","4","P c a 21","P 2c -2ac","29","","cyclotrimethylene-trinitramine","","- C3 H6 N6 O6 -","- C3 H6 N6 O6 -","- C24 H48 N48 O48 -","8","2","","Davidson, Alistair J.; Oswald, Iain D. H.; Francis, Duncan J.; Lennie, Alistair R.; Marshall, William G.; Millar, David I. A.; Pulham, Colin R.; Warren, John E.; Cumming, Adam S.","Explosives under pressure—the crystal structure of γ-RDX as determined by high-pressure X-ray and neutron diffraction","CrystEngComm","2008","10","2","162","","10.1039/b715677b","","","0.671","Synchrotron","","0.0893","0.0717","","0.1809","0.1723","0.1809","","","","","","0.8652","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201780","11.1193","0.0012","11.2473","0.0012","11.362","0.0012","75.651","0.002","66.119","0.001","76.991","0.002","1246.2","0.2","165","2","165","2","","","","","","","","5","P -1","-P 1","2","","","","- C14.5 H20 Co3 N2 O15.5 -","- C14.5 H7 Co3 N2 O15.5 -","- C29 H14 Co6 N4 O31 -","2","1","","Li, Zhi-Gang; Wang, Guan-Hua; Jia, Heng-Qing; Hu, Ning-Hai; Xu, Jing-Wei","Constructing porous frameworks from one-dimensional cobalt‒oxygen clusters and pyridinedicarboxylate ligands adopting two rare coordination modes","CrystEngComm","2008","10","2","173","","10.1039/b715808d","","","0.71073","MoKα","","0.056","0.0468","","","0.1259","0.1325","","","","","","1.087","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201781","11.1575","0.0008","11.2606","0.0008","11.424","0.0009","76.762","0.001","65.814","0.001","80.68","0.001","1270.77","0.16","187","2","187","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H10 Co3 N2 O11 -","- C14 H8 Co3 N2 O11 -","- C28 H16 Co6 N4 O22 -","2","1","","Li, Zhi-Gang; Wang, Guan-Hua; Jia, Heng-Qing; Hu, Ning-Hai; Xu, Jing-Wei","Constructing porous frameworks from one-dimensional cobalt‒oxygen clusters and pyridinedicarboxylate ligands adopting two rare coordination modes","CrystEngComm","2008","10","2","173","","10.1039/b715808d","","","0.71073","MoKα","","0.0263","0.0243","","","0.0696","0.0706","","","","","","1.081","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201783","20.7677","0.0006","20.7677","0.0006","70.979","0.002","90","","90","","120","","26511.7","1.3","213.1","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C199 H224 N8 O16 -","- C198.99 H222.9 N8 O15.96 -","- C1193.94 H1337.4 N48 O95.76 -","6","0.166667","","Yuge, Tetsuharu; Hisaki, Ichiro; Miyata, Mikiji; Tohnai, Norimitsu","Guest-induced topological polymorphism of pseudo-cubic hydrogen bond networks—robust and adaptable supramolecular synthon","CrystEngComm","2008","10","3","263","","10.1039/b715926a","","","1.54187","CuKα","","","0.1395","","","","0.3228","","","","","","1.9","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201784","24.3976","0.0004","14.4444","0.0003","24.3798","0.0004","90","","94.7956","0.0008","90","","8561.6","0.3","213.1","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H27 N O2 -","- C24 H27 N O2 -","- C384 H432 N16 O32 -","16","2","","Yuge, Tetsuharu; Hisaki, Ichiro; Miyata, Mikiji; Tohnai, Norimitsu","Guest-induced topological polymorphism of pseudo-cubic hydrogen bond networks—robust and adaptable supramolecular synthon","CrystEngComm","2008","10","3","263","","10.1039/b715926a","","","1.54187","CuKα","","","0.0758","","","","0.2294","","","","","","1.224","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201785","14.9227","0.0011","4.41484","0.00007","10.3539","0.0003","90","","105.55","0.003","90","","657.16","0.05","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","p-azoxyanisole form II","","","?","- C14 H14 N2 O3 -","- C28 H28 N4 O6 -","2","0.5","","Janbon, Sophie; Davey, Roger J.; Shankland, Kenneth","The crystal structure of a metastable polymorph of para-azoxyanisole","CrystEngComm","2008","10","3","279","","10.1039/b715934j","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201786","11.241","0.0007","5.4821","0.0004","13.7463","0.0012","90","","107.108","0.003","90","","809.62","0.11","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H6 O4 -","- C10 H6 O4 -","- C40 H24 O16 -","4","1","","Mahon, Mary F.; Raithby, Paul R.; Sparkes, Hazel A.","Investigation of the factors favouring solid state [2 + 2] cycloaddition reactions; the [2 + 2] cycloaddition reaction of coumarin-3-carboxylic acid","CrystEngComm","2008","10","5","573","","10.1039/b715941b","","","0.71073","MoKα","","0.0967","0.0494","","","0.1058","0.123","","","","","","1.024","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201787","11.348","0.003","5.881","0.003","12.376","0.005","90","","113.236","0.013","90","","759","0.5","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H12 O8 -","- C20 H12 O8 -","- C40 H24 O16 -","2","0.5","","Mahon, Mary F.; Raithby, Paul R.; Sparkes, Hazel A.","Investigation of the factors favouring solid state [2 + 2] cycloaddition reactions; the [2 + 2] cycloaddition reaction of coumarin-3-carboxylic acid","CrystEngComm","2008","10","5","573","","10.1039/b715941b","","","0.71069","MoKα","","0.1911","0.0847","","","0.1815","0.2273","","","","","","1.047","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201788","11.3948","0.0004","5.97016","0.00019","12.4931","0.0005","90","","112.859","0.002","90","","783.15","0.05","300","","300","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H12 O8 -","- C10 H6 O4 -","- C40 H24 O16 -","4","1","","Mahon, Mary F.; Raithby, Paul R.; Sparkes, Hazel A.","Investigation of the factors favouring solid state [2 + 2] cycloaddition reactions; the [2 + 2] cycloaddition reaction of coumarin-3-carboxylic acid","CrystEngComm","2008","10","5","573","","10.1039/b715941b","","","1.54056","CuKα~1~","","","","","","","","","","0.48","","","","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201789","5.4997","0.0004","13.5883","0.0009","30.125","0.002","90","","90","","90","","2251.3","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H29 N O7 S -","- C21 H29 N O7 S -","- C84 H116 N4 O28 S4 -","4","1","","Wermester, Nicolas; Lambert, Olivier; Coquerel, Gérard","Preferential crystallization (AS3PC mode) of modafinic acid: an example of productivity enhancement by addition of a non-chiral base","CrystEngComm","2008","10","6","724","","10.1039/b715975g","","","0.71073","MoKα","","0.0899","0.048","","","0.1019","0.1298","","","","","","0.877","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201790","8.2078","0.0002","24.8368","0.0007","9.4738","0.0003","90","","111.853","0.001","90","","1792.51","0.09","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","2,4-hexadiyne-1,6-diol-1,6-bis(2-chlorophenyl)-1,6-diphenyl, 4-oxo(phenylacetyl)morpholine clathrate","2,4-hexadiyne-1,6-diol-1,6-bis(2-chlorophenyl)-1,6-diphenyl, 4-oxo(phenylacetyl)morpholine clathrate","","- C42 H33 Cl2 N O5 -","- C42 H33 Cl2 N O5 -","- C84 H66 Cl4 N2 O10 -","2","1","","Lavy, Tali; Sheynin, Yana; Sparkes, Hazel A.; Howard, Judith A. K.; Kaftory, Menahem","Controlled photochemical reaction of 4-oxo(phenylacetyl)morpholine and 1-(phenylglyoxylyl)piperidine in solid supramolecular systems","CrystEngComm","2008","10","6","734","","10.1039/b715981a","","","0.71073","MoKα","","0.1424","0.0584","","","0.1317","0.1565","","","","","","0.819","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201791","9.4204","0.0001","41.0982","0.0006","10.1701","0.0002","90","","91.8046","0.0007","90","","3935.52","0.11","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C47 H49 N O6 -","- C47 H49 N O6 -","- C188 H196 N4 O24 -","4","2","","Lavy, Tali; Sheynin, Yana; Sparkes, Hazel A.; Howard, Judith A. K.; Kaftory, Menahem","Controlled photochemical reaction of 4-oxo(phenylacetyl)morpholine and 1-(phenylglyoxylyl)piperidine in solid supramolecular systems","CrystEngComm","2008","10","6","734","","10.1039/b715981a","","","0.71073","MoKα","","0.1674","0.0744","","","0.1915","0.2211","","","","","","1.025","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201792","6.201","0.0003","26.667","0.0012","14.197","0.0008","90","","105.012","0.0017","90","","2267.5","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1,1,6,6-tetrahphenyl-2,4-hexadiyne-1,6-diol, 4-Oxa-I- azabicyclo(4.2.0) octan-8-one,7-hydroxy-7-phenyl clathrate","1,1,6,6-tetrahphenyl-2,4-hexadiyne-1,6-diol, 4-Oxa-I-azabicyclo[4.2.0] octan-8-one,7-hydroxy-7-phenyl clathrate","","- C54 H48 N2 O8 -","- C54 H48 N2 O8 -","- C108 H96 N4 O16 -","2","0.5","","Lavy, Tali; Sheynin, Yana; Sparkes, Hazel A.; Howard, Judith A. K.; Kaftory, Menahem","Controlled photochemical reaction of 4-oxo(phenylacetyl)morpholine and 1-(phenylglyoxylyl)piperidine in solid supramolecular systems","CrystEngComm","2008","10","6","734","","10.1039/b715981a","","","0.71073","MoKα","","0.2152","0.0948","","","0.2364","0.2653","","","","","","1.234","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201793","13.6505","0.0004","18.1949","0.0008","10.6107","0.0006","90","","105.147","0.003","90","","2543.8","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,5-diphenylhydroquinone, 4-oxo(phenylacetyl)morpholine clathrate","2,5-diphenylhydroquinone, 4-oxo(phenylacetyl)morpholine clathrate","","- C30 H27 N O5 -","- C30 H27 N O5 -","- C120 H108 N4 O20 -","4","1","","Lavy, Tali; Sheynin, Yana; Sparkes, Hazel A.; Howard, Judith A. K.; Kaftory, Menahem","Controlled photochemical reaction of 4-oxo(phenylacetyl)morpholine and 1-(phenylglyoxylyl)piperidine in solid supramolecular systems","CrystEngComm","2008","10","6","734","","10.1039/b715981a","","","0.71073","MoKα","","0.155","0.0577","","","0.145","0.1722","","","","","","0.919","","","","has coordinates,has disorder","180348","2020-10-21","18:00:00",""
"7201794","9.7197","0.0003","20.9418","0.0007","15.7092","0.0004","90","","99.747","0.003","90","","3151.42","0.17","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,1,2,2-tetraphenyl-1,2-ethandiol, 1- (phenylglyoxylyl)piperidine clathrate","1,1,2,2-tetraphenyl-1,2-ethandiol, 1-(phenylglyoxylyl)piperidine clathrate","","- C39 H37 N O4 -","- C39 H37 N O4 -","- C156 H148 N4 O16 -","4","1","","Lavy, Tali; Sheynin, Yana; Sparkes, Hazel A.; Howard, Judith A. K.; Kaftory, Menahem","Controlled photochemical reaction of 4-oxo(phenylacetyl)morpholine and 1-(phenylglyoxylyl)piperidine in solid supramolecular systems","CrystEngComm","2008","10","6","734","","10.1039/b715981a","","","0.71073","MoKα","","0.0588","0.0389","","","0.121","0.1388","","","","","","0.908","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201795","5.954","0.0002","27.507","0.0007","13.705","0.0005","90","","94.731","0.0009","90","","2236.91","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,1,6,6-tetrahphenyl-2,4-hexadiyne-1,6-diol, 4- oxo(phenylacetyl)morpholine clathrate","1,1,6,6-tetrahphenyl-2,4-hexadiyne-1,6-diol, 4-oxo(phenylacetyl)morpholine clathrate","","- C54 H48 N2 O8 -","- C54 H48 N2 O8 -","- C108 H96 N4 O16 -","2","0.5","","Lavy, Tali; Sheynin, Yana; Sparkes, Hazel A.; Howard, Judith A. K.; Kaftory, Menahem","Controlled photochemical reaction of 4-oxo(phenylacetyl)morpholine and 1-(phenylglyoxylyl)piperidine in solid supramolecular systems","CrystEngComm","2008","10","6","734","","10.1039/b715981a","","","0.71073","MoKα","","0.1456","0.0482","","","0.1076","0.1321","","","","","","0.869","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201796","9.4158","0.0002","40.9669","0.001","10.249","0.0003","90","","91.7547","0.0016","90","","3951.56","0.17","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","4,5-bis(hydroxydiphenylmethyl)-2,2-dimethyl-1,3-dioxolane, 1- (phenylglyoxylyl)piperidine clathrate","4,5-bis(hydroxydiphenylmethyl)-2,2-dimethyl-1,3- dioxolane, 1-(phenylglyoxylyl)piperidine clathrate","","- C47 H49 N O6 -","- C47 H49 N O6 -","- C188 H196 N4 O24 -","4","2","","Lavy, Tali; Sheynin, Yana; Sparkes, Hazel A.; Howard, Judith A. K.; Kaftory, Menahem","Controlled photochemical reaction of 4-oxo(phenylacetyl)morpholine and 1-(phenylglyoxylyl)piperidine in solid supramolecular systems","CrystEngComm","2008","10","6","734","","10.1039/b715981a","","","0.71073","MoKα","","0.1436","0.0527","","","0.118","0.1543","","","","","","0.773","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201797","9.784","0.002","20.538","0.004","15.533","0.003","90","","100.602","0.008","90","","3068","1.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H37 N O4 -","- C39 H37 N O4 -","- C156 H148 N4 O16 -","4","1","","Lavy, Tali; Sheynin, Yana; Sparkes, Hazel A.; Howard, Judith A. K.; Kaftory, Menahem","Controlled photochemical reaction of 4-oxo(phenylacetyl)morpholine and 1-(phenylglyoxylyl)piperidine in solid supramolecular systems","CrystEngComm","2008","10","6","734","","10.1039/b715981a","","","0.71073","MoKα","","0.2813","0.1192","","","0.31","0.378","","","","","","0.961","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201798","39.698","0.016","48.359","0.019","3.8476","0.0016","90","","90","","90","","7386","5","298","2","298","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C6 H5 N O3 -","- C6 H5 N O3 -","- C288 H240 N48 O144 -","48","3","","Barsky, Inna; Bernstein, Joel","Crystal structures and characterization of the polymorphs of (2-furyl)oxoacetamide","CrystEngComm","2008","10","6","669","","10.1039/b716029a","","","0.71073","MoKα","","0.1111","0.0361","","","0.0513","0.0612","","","","","","0.813","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201799","3.7455","0.0019","7.257","0.004","11.424","0.006","90","","95.881","0.009","90","","308.9","0.3","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C6 H5 N O3 -","- C6 H5 N O3 -","- C12 H10 N2 O6 -","2","1","","Barsky, Inna; Bernstein, Joel","Crystal structures and characterization of the polymorphs of (2-furyl)oxoacetamide","CrystEngComm","2008","10","6","669","","10.1039/b716029a","","","0.71073","MoKα","","0.0706","0.0525","","","0.1262","0.1345","","","","","","0.927","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201800","11.6555","0.0004","14.5125","0.0005","14.5394","0.0005","76.216","0.001","71.198","0.001","81.153","0.001","2253.12","0.14","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C72 H48 Co2 Cu11 I15 N12 -","- C72 H48 Co2 Cu11 I15 N12 -","- C72 H48 Co2 Cu11 I15 N12 -","1","0.5","","Tershansy, Meredith A.; Goforth, Andrea M.; Ellsworth, Joseph M.; Smith, Mark D.; zur Loye, Hans-Conrad","[Co(phen3)]2[Cu11I15]: a mixed-metal iodocuprate containing the novel [Cu10I15]5− and [Cu12I15]3− clusters","CrystEngComm","2008","10","7","833","","10.1039/b716031c","","","0.71073","MoKα","","0.0418","0.0347","","","0.0761","0.0792","","","","","","1.05","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201802","19.044","0.0018","23.3714","0.0019","24.3644","0.0018","102.521","0.006","104.366","0.007","110.736","0.007","9252.5","1.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C195 H232 N16 O24 S4 -","- C195 H232 N16 O24 S4 -","- C390 H464 N32 O48 S8 -","2","1","","Bolte, Michael; Thondorf, Iris; Böhmer, Volker; Rudzevich, Valentyn; Rudzevich, Yuliya","Heterodimeric capsules formed by tetratosyl and tetratolyl urea calix[4]arenes","CrystEngComm","2009","","","","","10.1039/b716368a","","","0.71073","MoKα","","0.2684","0.0975","","","0.1794","0.2504","","","","","","0.911","","","","has coordinates,has disorder","180349","2020-10-21","18:00:00",""
"7201803","8.601","0.0008","9.0012","0.0008","9.908","0.001","84.754","0.002","83.338","0.002","74.795","0.002","733.73","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","ZnPO-CJ36","","","- C6 H13 N3 O11 P2 Zn2 -","- C6 H13 N3 O11 P2 Zn2 -","- C12 H26 N6 O22 P4 Zn4 -","2","1","","Zhao, Lang; Li, Jiyang; Chen, Peng; Dong, Zhaojun; Yu, Jihong; Xu, Ruren","(C6H10N3O2)Zn2(HPO4)(PO4)·H2O: An inorganic network with biofunctional amino acid dl-histidine molecules","CrystEngComm","2008","10","5","497","","10.1039/b716397e","","","0.71073","MoKα","","0.0354","0.0291","","","0.0713","0.0743","","","","","","1.058","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201804","9.1871","0.0005","10.5741","0.0006","12.596","0.0007","81.281","0.001","88.918","0.001","86.256","0.001","1206.87","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","phenylethylammonium fumarate-fumaric acid","","","- C24 H30 N2 O8 -","- C24 H30 N2 O8 -","- C48 H60 N4 O16 -","2","1","","Haynes, Delia A.; Pietersen, Lauren K.","Hydrogen bonding networks in ammonium carboxylate salts : the crystal structures of phenylethylammonium fumarate-fumaric acid, phenylethylammonium succinate-succinic acid and anilinium fumarate-fumaric acid","CrystEngComm","2008","10","5","518","","10.1039/b716436j","","","0.71073","MoKα","","0.0362","0.0339","","","0.0921","0.0942","","","","","","0.996","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201805","9.3231","0.0003","10.8304","0.0004","12.703","0.0005","80.931","0.003","86.268","0.003","88.868","0.003","1263.88","0.08","150","2","150","2","","","","","","","","4","P -1","-P 1","2","phenylethylamine succinate-succinic acid","","","- C24 H34 N2 O8 -","- C24 H34 N2 O8 -","- C48 H68 N4 O16 -","2","1","","Haynes, Delia A.; Pietersen, Lauren K.","Hydrogen bonding networks in ammonium carboxylate salts : the crystal structures of phenylethylammonium fumarate-fumaric acid, phenylethylammonium succinate-succinic acid and anilinium fumarate-fumaric acid","CrystEngComm","2008","10","5","518","","10.1039/b716436j","","","0.7107","MoKα","","0.0628","0.0439","","","0.1309","0.1374","","","","","","1.1","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201806","9.2426","0.0011","10.3797","0.0012","10.4421","0.0012","83.59","0.002","89.104","0.002","85.167","0.002","991.9","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","anilinium fumarate-fumaric acid","","","- C10 H11 N O4 -","- C10 H11 N O4 -","- C40 H44 N4 O16 -","4","2","","Haynes, Delia A.; Pietersen, Lauren K.","Hydrogen bonding networks in ammonium carboxylate salts : the crystal structures of phenylethylammonium fumarate-fumaric acid, phenylethylammonium succinate-succinic acid and anilinium fumarate-fumaric acid","CrystEngComm","2008","10","5","518","","10.1039/b716436j","","","0.71073","MoKα","","0.0587","0.0438","","","0.1","0.1096","","","","","","1.006","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201807","8.767","0.0003","10.911","0.0004","18.319","0.0006","90","","90","","90","","1752.34","0.1","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H13 Br3 O -","- C19 H13 Br3 O -","- C76 H52 Br12 O4 -","4","1","","Schollmeyer, Dieter; Shishkin, Oleg V.; Rühl, Thomas; Vysotsky, Myroslav O.","OH‒π and halogen‒π interactions as driving forces in the crystal organisations of tri-bromo and tri-iodo trityl alcohols","CrystEngComm","2008","10","6","715","","10.1039/b716442d","","","0.71073","MoKα","","0.0695","0.0348","","","0.0544","0.0595","","","","","","0.808","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201808","8.83","0.0003","11.2826","0.0004","19.1611","0.0006","90","","90","","90","","1908.93","0.11","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H13 I3 O -","- C19 H13 I3 O -","- C76 H52 I12 O4 -","4","1","","Schollmeyer, Dieter; Shishkin, Oleg V.; Rühl, Thomas; Vysotsky, Myroslav O.","OH‒π and halogen‒π interactions as driving forces in the crystal organisations of tri-bromo and tri-iodo trityl alcohols","CrystEngComm","2008","10","6","715","","10.1039/b716442d","","","0.71069","MoKα","","0.0289","0.0276","","","0.0712","0.0718","","","","","","1.038","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201809","12.2182","0.0004","20.479","0.0005","8.5939","0.0002","90","","90","","90","","2150.34","0.1","193","2","193","2","","","","","","","","5","A b m 2","A 2 -2b","39","","","","- C20 H15 Cl2 I3 O -","- C20 H15 Cl2 I3 O -","- C80 H60 Cl8 I12 O4 -","4","","","Schollmeyer, Dieter; Shishkin, Oleg V.; Rühl, Thomas; Vysotsky, Myroslav O.","OH‒π and halogen‒π interactions as driving forces in the crystal organisations of tri-bromo and tri-iodo trityl alcohols","CrystEngComm","2008","10","6","715","","10.1039/b716442d","","","0.71069","MoKα","","0.0282","0.0273","","","0.0751","0.0756","","","","","","1.024","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201810","6.4517","0.0002","12.7694","0.0003","13.9219","0.0003","105.763","0.001","100.976","0.001","96.771","0.001","1066.01","0.05","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H16 I3 O -","- C22 H16 I3 O -","- C44 H32 I6 O2 -","2","1","","Schollmeyer, Dieter; Shishkin, Oleg V.; Rühl, Thomas; Vysotsky, Myroslav O.","OH‒π and halogen‒π interactions as driving forces in the crystal organisations of tri-bromo and tri-iodo trityl alcohols","CrystEngComm","2008","10","6","715","","10.1039/b716442d","","","0.71073","MoKα","","0.0338","0.0278","","","0.0691","0.0726","","","","","","1.032","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201811","7.067","0.007","14.125","0.014","10.167","0.01","90","","93.27","0.016","90","","1013.2","1.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H13 Cu O9 -","- C4 H13 Cu O9 -","- C16 H52 Cu4 O36 -","4","1","","Liu, Ying-Ying; Ma, Jian-Fang; Yang, Jin; Ma, Ji-Cheng; Su, Zhong-Min","Versatile frameworks constructed from divalent metals and 1,2,3,4-butanetetracarboxylate anion: syntheses, crystal structures, luminescence and magnetic properties","CrystEngComm","2008","10","7","894","","10.1039/b716476a","","","0.71069","MoKα","","0.0395","0.0347","","","0.0837","0.0861","","","","","","1.097","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201812","28.016","0.007","28.192","0.013","8.097","0.013","90","","90","","90","","6395","11","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C8 H20 Ni2 O15 -","- C8 H18 Ni2 O15 -","- C128 H288 Ni32 O240 -","16","1","","Liu, Ying-Ying; Ma, Jian-Fang; Yang, Jin; Ma, Ji-Cheng; Su, Zhong-Min","Versatile frameworks constructed from divalent metals and 1,2,3,4-butanetetracarboxylate anion: syntheses, crystal structures, luminescence and magnetic properties","CrystEngComm","2008","10","7","894","","10.1039/b716476a","","","0.71069","MoKα","","0.0348","0.0299","","","0.0651","0.0673","","","","","","1.022","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201813","13.908","0.002","8.409","0.001","13.042","0.002","90","","90","","90","","1525.3","0.4","293","2","293","2","","","","","","","","4","P c c a","-P 2a 2ac","54","","","","- C4 H6 O6.5 Zn -","- C4 H4 O6.5 Zn -","- C32 H32 O52 Zn8 -","8","1","","Liu, Ying-Ying; Ma, Jian-Fang; Yang, Jin; Ma, Ji-Cheng; Su, Zhong-Min","Versatile frameworks constructed from divalent metals and 1,2,3,4-butanetetracarboxylate anion: syntheses, crystal structures, luminescence and magnetic properties","CrystEngComm","2008","10","7","894","","10.1039/b716476a","","","0.71069","MoKα","","0.0726","0.057","","","0.1241","0.1327","","","","","","1.096","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201814","7.702","0.001","9.705","0.002","10.387","0.005","79.397","0.003","72.326","0.006","68.933","0.005","687.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H13 Mn N2 O5 -","- C14 H13 Mn N2 O5 -","- C28 H26 Mn2 N4 O10 -","2","1","","Liu, Ying-Ying; Ma, Jian-Fang; Yang, Jin; Ma, Ji-Cheng; Su, Zhong-Min","Versatile frameworks constructed from divalent metals and 1,2,3,4-butanetetracarboxylate anion: syntheses, crystal structures, luminescence and magnetic properties","CrystEngComm","2008","10","7","894","","10.1039/b716476a","","","0.71069","MoKα","","0.0659","0.0461","","","0.123","0.1555","","","","","","1.072","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201815","7.655","0.005","9.7","0.007","11.09","0.006","84.068","0.002","70.758","0.002","68.703","0.003","724.2","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H13 Mn N2 O5 -","- C16 H13 Mn N2 O5 -","- C32 H26 Mn2 N4 O10 -","2","1","","Liu, Ying-Ying; Ma, Jian-Fang; Yang, Jin; Ma, Ji-Cheng; Su, Zhong-Min","Versatile frameworks constructed from divalent metals and 1,2,3,4-butanetetracarboxylate anion: syntheses, crystal structures, luminescence and magnetic properties","CrystEngComm","2008","10","7","894","","10.1039/b716476a","","","0.71069","MoKα","","0.063","0.0431","","","0.1102","0.1198","","","","","","1.11","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201816","11.268","0.009","13.002","0.001","14.379","0.001","90","","101.938","0.002","90","","2061.1","1.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 N4 O6.5 Zn -","- C18 H22 N4 O6.5 Zn -","- C72 H88 N16 O26 Zn4 -","4","1","","Liu, Ying-Ying; Ma, Jian-Fang; Yang, Jin; Ma, Ji-Cheng; Su, Zhong-Min","Versatile frameworks constructed from divalent metals and 1,2,3,4-butanetetracarboxylate anion: syntheses, crystal structures, luminescence and magnetic properties","CrystEngComm","2008","10","7","894","","10.1039/b716476a","","","0.71069","MoKα","","0.0795","0.055","","","0.1463","0.1623","","","","","","1.044","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201817","10.758","0.007","7.158","0.004","16.4","0.001","90","","98.922","0.001","90","","1247.6","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 N2 O5 Zn -","- C11 H12 N2 O5 Zn -","- C44 H48 N8 O20 Zn4 -","4","1","","Liu, Ying-Ying; Ma, Jian-Fang; Yang, Jin; Ma, Ji-Cheng; Su, Zhong-Min","Versatile frameworks constructed from divalent metals and 1,2,3,4-butanetetracarboxylate anion: syntheses, crystal structures, luminescence and magnetic properties","CrystEngComm","2008","10","7","894","","10.1039/b716476a","","","0.71069","MoKα","","0.0497","0.0331","","","0.0903","0.1165","","","","","","1.126","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201818","8.4244","0.0017","17.647","0.004","11.247","0.002","90","","104.33","0.03","90","","1620","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H19 N4 O5 Zn -","- C14 H6 N4 O5 Zn -","- C56 H24 N16 O20 Zn4 -","4","1","","Liu, Ying-Ying; Ma, Jian-Fang; Yang, Jin; Ma, Ji-Cheng; Su, Zhong-Min","Versatile frameworks constructed from divalent metals and 1,2,3,4-butanetetracarboxylate anion: syntheses, crystal structures, luminescence and magnetic properties","CrystEngComm","2008","10","7","894","","10.1039/b716476a","","","0.71073","MoKα","","0.0686","0.0496","","","0.1214","0.1316","","","","","","1.091","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201819","8.348","0.007","17.557","0.015","11.288","0.009","90","","103.519","0.001","90","","1609","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H19 Co N4 O5 -","- C14 H6 Co N4 O5 -","- C56 H24 Co4 N16 O20 -","4","1","","Liu, Ying-Ying; Ma, Jian-Fang; Yang, Jin; Ma, Ji-Cheng; Su, Zhong-Min","Versatile frameworks constructed from divalent metals and 1,2,3,4-butanetetracarboxylate anion: syntheses, crystal structures, luminescence and magnetic properties","CrystEngComm","2008","10","7","894","","10.1039/b716476a","","","0.71069","MoKα","","0.0759","0.0503","","","0.1272","0.1416","","","","","","1.012","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201821","22.9258","0.0008","22.9258","0.0008","19.46","0.0007","90","0.002","90","0.002","120","0.002","8857.7","0.6","123","2","123","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","hexaacetobis(N,N_,N__-tris(6-methyl-2-pyridyl) benzene-1,3,5- tricarboxamide)dipalladium(ii)","hexaacetobis{N,N_,N__-tris(6-methyl-2-pyridyl) benzene-1,3,5-tricarboxamide}dipalladium(II)","","- C66 H66 N12 O18 Pd3 -","- C66 H66 N12 O18 Pd3 -","- C264 H264 N48 O72 Pd12 -","4","0.333333","","Westcott, Aleema; Fisher, Julie; Harding, Lindsay P.; Hardie, Michaele J.","Flattened trigonal bipyramidal coordination assembly with trans geometry","CrystEngComm","2008","10","3","276","","10.1039/b716733b","","","0.71073","MoKα","","0.1454","0.0901","","","0.2838","0.346","","","","","","1.245","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201822","22.64","0.0011","22.64","0.0011","19.219","0.003","90","","90","","120","","8531.3","1.5","150","2","150","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","hexaacetobis(N,N_,N__-tris(6-methyl-2-pyridyl) benzene-1,3,5- tricarboxamide)dipalladium(ii)","hexaacetobis{N,N_,N__-tris(6-methyl-2-pyridyl) benzene-1,3,5-tricarboxamide}dipalladium(II)","","- C66 H66 N12 O18 Pd3 -","- C66 H66 N12 O18 Pd3 -","- C264 H264 N48 O72 Pd12 -","4","0.333333","","Westcott, Aleema; Fisher, Julie; Harding, Lindsay P.; Hardie, Michaele J.","Flattened trigonal bipyramidal coordination assembly with trans geometry","CrystEngComm","2008","10","3","276","","10.1039/b716733b","","","0.71073","MoKα","","0.1866","0.1046","","","0.2704","0.3427","","","","","","1.142","","","","has coordinates","212110","2020-10-21","18:00:00",""
"7201823","7.0121","0.0001","8.8234","0.0001","12.7646","0.0002","90","","90","","90","","789.753","0.019","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C10 H10 Ru -","- C10 H10 Ru -","- C40 H40 Ru4 -","4","0.5","","Borissova, Alexandra O.; Antipin, Mikhail Yu.; Perekalin, Dmirtrii S.; Lyssenko, Konstantin A.","Crucial role of Ru⋯H interactions in the crystal packing of ruthenocene and its derivatives","CrystEngComm","2008","10","7","827","","10.1039/b716776h","","","0.71073","MoKα","","0.0289","0.0193","","","0.0349","0.038","","","","","","1","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201824","9.105","0.001","12.948","0.001","13.991","0.002","90","","91.51","0.01","90","","1648.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 Cd N2 O4 -","- C16 H12 Cd N2 O4 -","- C64 H48 Cd4 N8 O16 -","4","1","","Michaelides, Adonis; Skoulika, Stavroula; Siskos, Michael G.","Designed self-assembly of a reactive metal‒organic framework with quasi α-Po topology","CrystEngComm","2008","10","7","817","","10.1039/b716847k","","","0.71073","MoKα","","0.0881","0.0487","","","0.1092","0.1271","","","","","","0.963","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201825","16.6305","0.0004","16.7308","0.0005","24.0702","0.0005","90","","90","","90","","6697.3","0.3","120","2","120","2","","","","","","","synthesis as described","5","P n a 21","P 2c -2n","33","","15,22-bis(dimethoxyphosphoryl)-2,5,8-trioxa- 16,21-diazatricyclo[21.4.0.0^9,14^]heptacosa- 9,11,13,23,25,27(1)-hexaene tetrahydrofuran methanol","","- C31 H52 N2 O11 P2 -","- C31 H52 N2 O11 P2 -","- C248 H416 N16 O88 P16 -","8","2","","Bilge, Selen; Coles, Simon J.; Davies, David B.; Hursthouse, Michael B.; Kılıç, Zeynel; Rutherford, John S.; Shaw, Robert A.","Clathrate and channel inclusion systems co-exist in the crystal structure of a bis-C-pivot macrocycle (Z′ = 2)","CrystEngComm","2008","10","7","873","","10.1039/b716882a","","","0.71073","MoKα","","0.1371","0.0893","","","0.2263","0.2658","","","","","","1.016","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201827","12.2422","0.0009","19.391","0.0014","23.0235","0.0015","90","","110.618","0.003","90","","5115.4","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Zn3(NH2DBC)3(DMF)5","","","- C39 H54 N8 O19 Zn3 -","- C39 H54 N8 O19 Zn3 -","- C156 H216 N32 O76 Zn12 -","4","1","","Wang, Xiao-Feng; Zhang, Yue-Biao; Cheng, Xiao-Ning; Chen, Xiao-Ming","Two microporous metal‒organic frameworks with different topologies constructed from linear trinuclear M3(COO)n secondary building units","CrystEngComm","2008","10","6","753","","10.1039/b716922a","","","0.71073","MoKα","","0.1367","0.1036","","","0.2854","0.3201","","","","","","1.037","","","","has coordinates,has disorder","180349","2020-10-21","18:00:00",""
"7201828","34.622","0.007","10.432","0.002","18.032","0.004","90","","100.95","0.004","90","","6394","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Cd3(NH2DBC)4(Me2NH2)2(DMF)2(H2O)2.5","","","- C42 H56 Cd3 N8 O20.5 -","- C42 H56 Cd3 N8 O20.5 -","- C168 H224 Cd12 N32 O82 -","4","0.5","","Wang, Xiao-Feng; Zhang, Yue-Biao; Cheng, Xiao-Ning; Chen, Xiao-Ming","Two microporous metal‒organic frameworks with different topologies constructed from linear trinuclear M3(COO)n secondary building units","CrystEngComm","2008","10","6","753","","10.1039/b716922a","","","0.71073","MoKα","","0.0695","0.0556","","","0.1484","0.1581","","","","","","1.061","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7201829","5.82141","0.00004","5.8545","0.00004","13.85255","0.00009","90","","90","","90","","472.115","0.006","2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","perdeuteroalloxan","perdeuteroalloxan","","- C4 D2 N2 O4 -","- C4 D2 N2 O4 -","- C16 D8 N8 O16 -","4","1","","Ibberson, Richard M.; Marshall, William G.; Budd, Laura E.; Parsons, Simon; Pulham, Colin R.; Spanswick, Christopher K.","Alloxan—a new low-temperature phase determined by neutron powder diffraction","CrystEngComm","2008","10","5","465","","10.1039/b716960d","powder diffraction","neutron","","time-of-flightneutron","","","","","","","","0.04559","","1.67","","","","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201830","11.663","0.0018","6.008","0.001","13.328","0.002","90","","92.231","0.008","90","","933.2","0.3","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 N4 O -","- C10 H10 N4 O -","- C40 H40 N16 O4 -","4","1","","Legrand, Yves-Marie; Michau, Mathieu; van der Lee, Arie; Barboiu, Mihail","Homomeric and heteromeric self-assembly of hybrid ureido‒imidazole compounds","CrystEngComm","2008","10","5","490","","10.1039/b717015g","","","0.51091","synchrotron","","0.0568","0.0529","","0.0594","0.0576","0.0576","","","","","","0.9603","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201831","9.386","0.001","11.4412","0.0004","27.4207","0.0003","90","","90","","90","","2944.6","0.3","175","","175","","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C14 H17 N5 O -","- C14 H17 N5 O -","- C112 H136 N40 O8 -","8","1","","Legrand, Yves-Marie; Michau, Mathieu; van der Lee, Arie; Barboiu, Mihail","Homomeric and heteromeric self-assembly of hybrid ureido‒imidazole compounds","CrystEngComm","2008","10","5","490","","10.1039/b717015g","","","0.71073","MoKα","","0.0776","0.0453","","0.0472","0.0442","0.0442","","","","","","1.0831","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201832","11.663","0.0018","6.008","0.001","17.365","0.002","90","","129.922","0.008","90","","933.2","0.3","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 N4 O -","- C10 H10 N4 O -","- C40 H40 N16 O4 -","4","1","","Legrand, Yves-Marie; Michau, Mathieu; van der Lee, Arie; Barboiu, Mihail","Homomeric and heteromeric self-assembly of hybrid ureido‒imidazole compounds","CrystEngComm","2008","10","5","490","","10.1039/b717015g","","","0.51091","synchrotron","","0.0576","0.0552","","0.0569","0.056","0.056","","","","","","0.9396","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201833","11.4412","0.0004","9.386","0.001","27.4207","0.0003","90","","90","","90","","2944.6","0.3","175","","175","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H17 N5 O -","- C14 H17 N5 O -","- C112 H136 N40 O8 -","8","1","","Legrand, Yves-Marie; Michau, Mathieu; van der Lee, Arie; Barboiu, Mihail","Homomeric and heteromeric self-assembly of hybrid ureido‒imidazole compounds","CrystEngComm","2008","10","5","490","","10.1039/b717015g","","","0.71073","MoKα","","0.0772","0.0607","","0.0519","0.0506","0.0506","","","","","","1.0708","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201841","7.577","0.0008","11.0722","0.0013","15.26","0.002","90","","90.809","0.011","90","","1280.1","0.3","298","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1,2-bis(4-pyridinium)ethane saccharinate (1:2)","","","- C26 H22 N4 O6 S2 -","- C26 H22 N4 O6 S2 -","- C52 H44 N8 O12 S4 -","2","0.5","","Sudhakar, P.; Kumar, S. Vijay; Vishweshwar, Peddy; Babu, J. Moses; Vyas, K.","Solid state structural studies of saccharin salts with some heterocyclic bases","CrystEngComm","2008","10","8","996","","10.1039/b717090d","","","0.7107","MoKα","","","0.047","","","","0.14","","","","","","1.1","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201842","13.161","0.002","5.251","0.002","18.59","0.012","90","","106.828","0.003","90","","1229.7","0.9","298","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1,2-bis(4-pyridinium)ethylene saccharinate (1:2)","","","- C26 H20 N4 O6 S2 -","- C26 H20 N4 O6 S2 -","- C52 H40 N8 O12 S4 -","2","0.5","","Sudhakar, P.; Kumar, S. Vijay; Vishweshwar, Peddy; Babu, J. Moses; Vyas, K.","Solid state structural studies of saccharin salts with some heterocyclic bases","CrystEngComm","2008","10","8","996","","10.1039/b717090d","","","0.7107","MoKα","","","0.062","","","","0.093","","","","","","1.048","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201843","11.1261","0.001","9.3971","0.0008","9.6281","0.001","90","","99.489","0.004","90","","992.87","0.16","298","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 N4 O6 S2 -","- C18 H20 N4 O6 S2 -","- C36 H40 N8 O12 S4 -","2","0.5","","Sudhakar, P.; Kumar, S. Vijay; Vishweshwar, Peddy; Babu, J. Moses; Vyas, K.","Solid state structural studies of saccharin salts with some heterocyclic bases","CrystEngComm","2008","10","8","996","","10.1039/b717090d","","","0.7107","MoKα","","","0.0401","","","","0.053","","","","","","0.945","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201844","7.973","0.002","15.413","0.003","9.293","0.002","90","","104.555","0.01","90","","1105.3","0.4","298","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1,4-Dimethylpiperazinium saccharinate (1:2)","","","- C20 H24 N4 O6 S2 -","- C20 H24 N4 O6 S2 -","- C40 H48 N8 O12 S4 -","2","0.5","","Sudhakar, P.; Kumar, S. Vijay; Vishweshwar, Peddy; Babu, J. Moses; Vyas, K.","Solid state structural studies of saccharin salts with some heterocyclic bases","CrystEngComm","2008","10","8","996","","10.1039/b717090d","","","0.7107","MoKα","","","0.066","","","","0.127","","","","","","1.075","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201845","9.635","0.002","13.385","0.004","14.149","0.003","105.658","0.003","91.773","0.002","110.444","0.002","1630.4","0.7","298","","","","","","","","","","","5","P -1","-P 1","2","2,2'-dipyridiniumamine saccharinate (1:1)","","","- C17 H14 N4 O3 S -","- C17 H14 N4 O3 S -","- C68 H56 N16 O12 S4 -","4","2","","Sudhakar, P.; Kumar, S. Vijay; Vishweshwar, Peddy; Babu, J. Moses; Vyas, K.","Solid state structural studies of saccharin salts with some heterocyclic bases","CrystEngComm","2008","10","8","996","","10.1039/b717090d","","","0.7107","MoKα","","","0.052","","","","0.052","","","","","","1.255","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201846","8.3397","0.0007","10.5367","0.0009","11.5415","0.001","71.781","0.002","72.749","0.002","78.765","0.002","914.16","0.14","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H14 Cu I N2 S3 -","- C16 H14 Cu I N2 S3 -","- C32 H28 Cu2 I2 N4 S6 -","2","1","","Peng, Rong; Deng, Shi-Ren; Li, Mian; Li, Dan; Li, Zao-Ying","Solvent-dependent copper(i) conformational supramolecular pseudo-polymorphs based on a flexible thioether ligand","CrystEngComm","2008","10","5","590","","10.1039/b717165j","","","0.71073","MoKα","","0.0834","0.0585","","","0.1143","0.1251","","","","","","1.044","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201847","10.0063","0.0006","14.6856","0.0008","15.2104","0.0009","88.738","0.001","80.324","0.001","81.463","0.001","2178.9","0.2","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H36 Cu2 I2 N4 S6 -","- C39 H28 Cu2 I2 N4 S6 -","- C78 H56 Cu4 I4 N8 S12 -","2","1","","Peng, Rong; Deng, Shi-Ren; Li, Mian; Li, Dan; Li, Zao-Ying","Solvent-dependent copper(i) conformational supramolecular pseudo-polymorphs based on a flexible thioether ligand","CrystEngComm","2008","10","5","590","","10.1039/b717165j","","","0.71073","MoKα","","0.073","0.0527","","","0.1178","0.1322","","","","","","1.114","","","","has coordinates,has disorder","180349","2020-10-21","18:00:00",""
"7201848","12.7209","0.0006","13.0515","0.0006","16.7648","0.0008","68.655","0.001","70.397","0.001","68.19","0.001","2341.47","0.19","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H15 Cl3 Cu I N2 S3 -","- C17 H15 Cl3 Cu I N2 S3 -","- C68 H60 Cl12 Cu4 I4 N8 S12 -","4","2","","Peng, Rong; Deng, Shi-Ren; Li, Mian; Li, Dan; Li, Zao-Ying","Solvent-dependent copper(i) conformational supramolecular pseudo-polymorphs based on a flexible thioether ligand","CrystEngComm","2008","10","5","590","","10.1039/b717165j","","","0.71073","MoKα","","0.0705","0.0504","","","0.1442","0.1562","","","","","","1.082","","","","has coordinates,has disorder","180349","2020-10-21","18:00:00",""
"7201849","9.252","0.0015","16.453","0.003","14.991","0.003","90","","104.904","0.003","90","","2205.2","0.7","295","2","295","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 Cl2 Cu I N2 S3 -","- C17 H16 Cl2 Cu I N2 S3 -","- C68 H64 Cl8 Cu4 I4 N8 S12 -","4","1","","Peng, Rong; Deng, Shi-Ren; Li, Mian; Li, Dan; Li, Zao-Ying","Solvent-dependent copper(i) conformational supramolecular pseudo-polymorphs based on a flexible thioether ligand","CrystEngComm","2008","10","5","590","","10.1039/b717165j","","","0.71073","MoKα","","0.0701","0.0485","","","0.1244","0.1368","","","","","","1.043","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201850","7.3357","0.0015","8.5934","0.0017","13.03","0.003","84.285","0.003","79.07","0.003","76.17","0.003","781.8","0.3","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H14 N2 S3 -","- C16 H14 N2 S3 -","- C32 H28 N4 S6 -","2","1","","Peng, Rong; Deng, Shi-Ren; Li, Mian; Li, Dan; Li, Zao-Ying","Solvent-dependent copper(i) conformational supramolecular pseudo-polymorphs based on a flexible thioether ligand","CrystEngComm","2008","10","5","590","","10.1039/b717165j","","","0.71073","MoKα","","0.043","0.0382","","","0.0998","0.1036","","","","","","1.043","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201851","19.0501","0.001","14.5809","0.0008","19.5329","0.001","90","","90","","90","","5425.6","0.5","223","2","223","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C29 H29 Au N O P S -","- C29 H29 Au N O P S -","- C232 H232 Au8 N8 O8 P8 S8 -","8","1","","Kuan, Fong Sheen; Yei Ho, Soo; Tadbuppa, Primjira P.; Tiekink, Edward R. T.","Electronic and steric control over Au⋯Au, C‒H⋯O and C‒H⋯π interactions in the crystal structures of mononuclear triarylphosphinegold(i) carbonimidothioates: R3PAu[SC(OMe)=NR′] for R = Ph, o-tol, m-tol or p-tol, and R′ = Ph, o-tol, m-tol, p-tol or C6H4NO2-4","CrystEngComm","2008","10","5","548","","10.1039/b717198f","","","0.71069","MoKα","","0.063","0.034","","","0.072","0.083","","","","","","1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201852","9.5246","0.0006","11.8876","0.0007","13.279","0.0008","93.58","0.001","93.252","0.001","112.034","0.001","1385.75","0.15","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H28 Au N2 O3 P S -","- C29 H28 Au N2 O3 P S -","- C58 H56 Au2 N4 O6 P2 S2 -","2","1","","Kuan, Fong Sheen; Yei Ho, Soo; Tadbuppa, Primjira P.; Tiekink, Edward R. T.","Electronic and steric control over Au⋯Au, C‒H⋯O and C‒H⋯π interactions in the crystal structures of mononuclear triarylphosphinegold(i) carbonimidothioates: R3PAu[SC(OMe)=NR′] for R = Ph, o-tol, m-tol or p-tol, and R′ = Ph, o-tol, m-tol, p-tol or C6H4NO2-4","CrystEngComm","2008","10","5","548","","10.1039/b717198f","","","0.71069","MoKα","","0.042","0.034","","","0.089","0.097","","","","","","1.02","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201853","8.8426","0.001","10.4687","0.0012","15.2214","0.0019","74.347","0.002","82.829","0.003","81.799","0.003","1337.4","0.3","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H29 Au N O P S -","- C29 H29 Au N O P S -","- C58 H58 Au2 N2 O2 P2 S2 -","2","1","","Kuan, Fong Sheen; Yei Ho, Soo; Tadbuppa, Primjira P.; Tiekink, Edward R. T.","Electronic and steric control over Au⋯Au, C‒H⋯O and C‒H⋯π interactions in the crystal structures of mononuclear triarylphosphinegold(i) carbonimidothioates: R3PAu[SC(OMe)=NR′] for R = Ph, o-tol, m-tol or p-tol, and R′ = Ph, o-tol, m-tol, p-tol or C6H4NO2-4","CrystEngComm","2008","10","5","548","","10.1039/b717198f","","","0.71069","MoKα","","0.038","0.036","","","0.084","0.086","","","","","","1.12","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201854","9.7125","0.0008","11.0257","0.0009","14.7644","0.0012","111.187","0.002","103.553","0.002","97.693","0.002","1390.9","0.2","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H31 Au N O P S -","- C30 H31 Au N O P S -","- C60 H62 Au2 N2 O2 P2 S2 -","2","1","","Kuan, Fong Sheen; Yei Ho, Soo; Tadbuppa, Primjira P.; Tiekink, Edward R. T.","Electronic and steric control over Au⋯Au, C‒H⋯O and C‒H⋯π interactions in the crystal structures of mononuclear triarylphosphinegold(i) carbonimidothioates: R3PAu[SC(OMe)=NR′] for R = Ph, o-tol, m-tol or p-tol, and R′ = Ph, o-tol, m-tol, p-tol or C6H4NO2-4","CrystEngComm","2008","10","5","548","","10.1039/b717198f","","","0.71069","MoKα","","0.051","0.042","","","0.106","0.114","","","","","","1.04","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201855","7.7818","0.0005","25.6944","0.0017","14.9227","0.001","90","","95.948","0.002","90","","2967.7","0.3","223","2","223","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C29.5 H28.5 Au Cl1.5 N2 O3 P S -","- C29.5 H28 Au Cl1.5 N2 O3 P S -","- C118 H112 Au4 Cl6 N8 O12 P4 S4 -","4","1","","Kuan, Fong Sheen; Yei Ho, Soo; Tadbuppa, Primjira P.; Tiekink, Edward R. T.","Electronic and steric control over Au⋯Au, C‒H⋯O and C‒H⋯π interactions in the crystal structures of mononuclear triarylphosphinegold(i) carbonimidothioates: R3PAu[SC(OMe)=NR′] for R = Ph, o-tol, m-tol or p-tol, and R′ = Ph, o-tol, m-tol, p-tol or C6H4NO2-4","CrystEngComm","2008","10","5","548","","10.1039/b717198f","","","0.71069","MoKα","","0.073","0.045","","","0.098","0.12","","","","","","1.04","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201856","8.134","0.0006","13.8225","0.0011","13.8274","0.0011","117.394","0.002","98.515","0.002","101.882","0.002","1296.92","0.18","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C27.25 H26 Au N O1.25 P S -","- C27.25 H25.75 Au N O1.25 P S -","- C54.5 H51.5 Au2 N2 O2.5 P2 S2 -","2","1","","Kuan, Fong Sheen; Yei Ho, Soo; Tadbuppa, Primjira P.; Tiekink, Edward R. T.","Electronic and steric control over Au⋯Au, C‒H⋯O and C‒H⋯π interactions in the crystal structures of mononuclear triarylphosphinegold(i) carbonimidothioates: R3PAu[SC(OMe)=NR′] for R = Ph, o-tol, m-tol or p-tol, and R′ = Ph, o-tol, m-tol, p-tol or C6H4NO2-4","CrystEngComm","2008","10","5","548","","10.1039/b717198f","","","0.71069","MoKα","","0.053","0.04","","","0.101","0.126","","","","","","1.09","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201857","10.4994","0.0007","10.7694","0.0007","12.7755","0.0008","93.047","0.001","114.068","0.001","107.663","0.001","1230.54","0.14","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H25 Au N O P S -","- C27 H25 Au N O P S -","- C54 H50 Au2 N2 O2 P2 S2 -","2","1","","Kuan, Fong Sheen; Yei Ho, Soo; Tadbuppa, Primjira P.; Tiekink, Edward R. T.","Electronic and steric control over Au⋯Au, C‒H⋯O and C‒H⋯π interactions in the crystal structures of mononuclear triarylphosphinegold(i) carbonimidothioates: R3PAu[SC(OMe)=NR′] for R = Ph, o-tol, m-tol or p-tol, and R′ = Ph, o-tol, m-tol, p-tol or C6H4NO2-4","CrystEngComm","2008","10","5","548","","10.1039/b717198f","","","0.71069","MoKα","","0.045","0.039","","","0.086","0.089","","","","","","1.06","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201858","8.1461","0.0004","13.6666","0.0006","13.685","0.0006","116.509","0.001","99.132","0.001","101.974","0.001","1277.56","0.1","223","2","223","2","","","","","","","","8","P -1","-P 1","2","","","","- C26.5 H23.5 Au Cl1.5 N O P S -","- C26.5 H23.5 Au Cl1.5 N O P S -","- C53 H47 Au2 Cl3 N2 O2 P2 S2 -","2","1","","Kuan, Fong Sheen; Yei Ho, Soo; Tadbuppa, Primjira P.; Tiekink, Edward R. T.","Electronic and steric control over Au⋯Au, C‒H⋯O and C‒H⋯π interactions in the crystal structures of mononuclear triarylphosphinegold(i) carbonimidothioates: R3PAu[SC(OMe)=NR′] for R = Ph, o-tol, m-tol or p-tol, and R′ = Ph, o-tol, m-tol, p-tol or C6H4NO2-4","CrystEngComm","2008","10","5","548","","10.1039/b717198f","","","0.71069","MoKα","","0.052","0.047","","","0.117","0.12","","","","","","1.04","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201859","18.801","0.0009","14.4703","0.0008","20.738","0.0011","90","","90","","90","","5641.9","0.5","223","2","223","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C30 H31 Au N O P S -","- C30 H31 Au N O P S -","- C240 H248 Au8 N8 O8 P8 S8 -","8","1","","Kuan, Fong Sheen; Yei Ho, Soo; Tadbuppa, Primjira P.; Tiekink, Edward R. T.","Electronic and steric control over Au⋯Au, C‒H⋯O and C‒H⋯π interactions in the crystal structures of mononuclear triarylphosphinegold(i) carbonimidothioates: R3PAu[SC(OMe)=NR′] for R = Ph, o-tol, m-tol or p-tol, and R′ = Ph, o-tol, m-tol, p-tol or C6H4NO2-4","CrystEngComm","2008","10","5","548","","10.1039/b717198f","","","0.71069","MoKα","","0.06","0.035","","","0.074","0.083","","","","","","1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201860","10.591","0.0013","27.184","0.003","10.6679","0.0013","90","","113.479","0.003","90","","2817.1","0.6","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H31 Au N O P S -","- C30 H31 Au N O P S -","- C120 H124 Au4 N4 O4 P4 S4 -","4","1","","Kuan, Fong Sheen; Yei Ho, Soo; Tadbuppa, Primjira P.; Tiekink, Edward R. T.","Electronic and steric control over Au⋯Au, C‒H⋯O and C‒H⋯π interactions in the crystal structures of mononuclear triarylphosphinegold(i) carbonimidothioates: R3PAu[SC(OMe)=NR′] for R = Ph, o-tol, m-tol or p-tol, and R′ = Ph, o-tol, m-tol, p-tol or C6H4NO2-4","CrystEngComm","2008","10","5","548","","10.1039/b717198f","","","0.71069","MoKα","","0.053","0.035","","","0.08","0.087","","","","","","1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201861","9.7389","0.0006","15.5653","0.0011","18.5362","0.0013","90","","100.931","0.002","90","","2758.9","0.3","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H31 Au N O P S -","- C30 H31 Au N O P S -","- C120 H124 Au4 N4 O4 P4 S4 -","4","1","","Kuan, Fong Sheen; Yei Ho, Soo; Tadbuppa, Primjira P.; Tiekink, Edward R. T.","Electronic and steric control over Au⋯Au, C‒H⋯O and C‒H⋯π interactions in the crystal structures of mononuclear triarylphosphinegold(i) carbonimidothioates: R3PAu[SC(OMe)=NR′] for R = Ph, o-tol, m-tol or p-tol, and R′ = Ph, o-tol, m-tol, p-tol or C6H4NO2-4","CrystEngComm","2008","10","5","548","","10.1039/b717198f","","","0.71069","MoKα","","0.078","0.05","","","0.103","0.121","","","","","","1.04","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201862","9.7469","0.0006","13.9711","0.0008","22.0578","0.0013","73.618","0.001","82.218","0.001","83.664","0.001","2847","0.3","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H28.25 Au N2 O3.125 P S -","- C29 H28 Au N2 O3.125 P S -","- C116 H112 Au4 N8 O12.5 P4 S4 -","4","2","","Kuan, Fong Sheen; Yei Ho, Soo; Tadbuppa, Primjira P.; Tiekink, Edward R. T.","Electronic and steric control over Au⋯Au, C‒H⋯O and C‒H⋯π interactions in the crystal structures of mononuclear triarylphosphinegold(i) carbonimidothioates: R3PAu[SC(OMe)=NR′] for R = Ph, o-tol, m-tol or p-tol, and R′ = Ph, o-tol, m-tol, p-tol or C6H4NO2-4","CrystEngComm","2008","10","5","548","","10.1039/b717198f","","","0.71069","MoKα","","0.088","0.045","","","0.102","0.13","","","","","","0.94","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201863","9.1522","0.0005","17.7973","0.0011","15.3855","0.0009","90","","102.508","0.001","90","","2446.6","0.2","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H25 Au N O P S -","- C27 H25 Au N O P S -","- C108 H100 Au4 N4 O4 P4 S4 -","4","1","","Kuan, Fong Sheen; Yei Ho, Soo; Tadbuppa, Primjira P.; Tiekink, Edward R. T.","Electronic and steric control over Au⋯Au, C‒H⋯O and C‒H⋯π interactions in the crystal structures of mononuclear triarylphosphinegold(i) carbonimidothioates: R3PAu[SC(OMe)=NR′] for R = Ph, o-tol, m-tol or p-tol, and R′ = Ph, o-tol, m-tol, p-tol or C6H4NO2-4","CrystEngComm","2008","10","5","548","","10.1039/b717198f","","","0.71069","MoKα","","0.056","0.037","","","0.08","0.085","","","","","","1.05","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201864","39.7978","0.0003","39.7978","0.0003","10.1735","0.0002","90","","90","","120","","13954.7","0.3","203","2","203","2","","","","","","","","5","R 3 :H","R 3","146","Tris(aqua-ethanol-di(mu4-terephthaloyl-bis(L- phenylalaninato))dicopper(ii)) hydrate","Tris[aqua-ethanol-di(μ4-terephthaloyl- bis(L-phenylalaninato))dicopper(II)] hydrate","","- C163 H156 Cu6 N12 O70 -","- C162.99 H156 Cu6 N12 O70.03 -","- C488.97 H468 Cu18 N36 O210.09 -","3","0.333333","","Wisser, Barbara; Chamayou, Anne-Christine; Miller, Robert; Scherer, Wolfgang; Janiak, Christoph","A chiral C3-symmetric hexanuclear triangular-prismatic copper(ii) cluster derived from a highly modular dipeptidic N,N′-terephthaloyl-bis(S-aminocarboxylato) ligand","CrystEngComm","2008","10","5","461","","10.1039/b717207a","","","0.71073","MoKα","","0.1179","0.0579","","","0.0952","0.114","","","","","","0.98","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201865","8.6831","0.0018","12.128","0.003","15.999","0.003","90","","90","","90","","1684.8","0.6","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H20 Mn2 O14 -","- C10 H20 Mn2 O14 -","- C40 H80 Mn8 O56 -","4","1","","Bai, Yue-Ling; Tao, Jun; Huang, Rong-Bin; Zheng, Lan-Sun","Structural transformations from a 1-D chain to two 3-D supramolecular isomers via crystal disassembly and reassembly","CrystEngComm","2008","10","5","472","","10.1039/b717297d","","","0.71073","MoKα","","0.0408","0.0389","","","0.0897","0.0906","","","","","","1.097","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201866","9.121","0.0019","9.3174","0.0019","10.414","0.002","90","","90","","90","","885","0.3","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H10 Mn O8 -","- C4 H10 Mn O8 -","- C16 H40 Mn4 O32 -","4","1","","Bai, Yue-Ling; Tao, Jun; Huang, Rong-Bin; Zheng, Lan-Sun","Structural transformations from a 1-D chain to two 3-D supramolecular isomers via crystal disassembly and reassembly","CrystEngComm","2008","10","5","472","","10.1039/b717297d","","","0.71073","MoKα","","0.0227","0.0223","","","0.0568","0.0569","","","","","","1.114","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201867","7.9539","0.0009","7.9539","0.0009","13.189","0.003","90","","90","","90","","834.4","0.2","273","2","273","2","","","","","","","","4","P 43","P 4cw","78","","","","- C4 H10 Mn O8 -","- C4 H10 Mn O8 -","- C16 H40 Mn4 O32 -","4","1","","Bai, Yue-Ling; Tao, Jun; Huang, Rong-Bin; Zheng, Lan-Sun","Structural transformations from a 1-D chain to two 3-D supramolecular isomers via crystal disassembly and reassembly","CrystEngComm","2008","10","5","472","","10.1039/b717297d","","","0.71073","MoKα","","0.038","0.0375","","","0.0966","0.097","","","","","","1.138","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201868","8.1839","0.0006","10.1779","0.0008","19.0655","0.0015","102.57","0.001","97.287","0.001","93.149","0.001","1531.9","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H23 N3 O10 S Zn -","- C34 H23 N3 O10 S Zn -","- C68 H46 N6 O20 S2 Zn2 -","2","1","","Gao, Xiao-Ming; Li, Dong-sheng; Wang, Ji-Jiang; Fu, Feng; Wu, Ya-Pan; Hu, Huai-Ming; Wang, Ji-Wu","A novel 1D armed-polyrotaxane chain constructed from a V-shaped tetracarboxylate ligand","CrystEngComm","2008","10","5","479","","10.1039/b717415b","","","0.71073","MoKα","","0.0469","0.0349","","","0.094","0.0977","","","","","","1.098","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201869","15.585","0.0016","20.081","0.002","19.023","0.002","90","","94.118","0.001","90","","5938.1","1.1","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C80 H70 Cu10 Ge2 N16 O71 W18 -","- C80 H64 Cu10 Ge2 N16 O71 W18 -","- C160 H128 Cu20 Ge4 N32 O142 W36 -","2","0.5","","Wang, Jingping; Du, Juan; Niu, Jingyang","Novel hexanuclear copper(ii)-substituted dimeric tungstogermanates","CrystEngComm","2008","10","8","972","","10.1039/b717567a","","","0.71073","MoKα","","0.0588","0.0365","","","0.0726","0.0784","","","","","","1.004","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201870","16.3328","0.0018","20.719","0.002","18.566","0.002","90","","92.293","0.002","90","","6277.7","1.1","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C96 H68 Cu10 Ge2 N16 O70 W18 -","- C96 H64 Cu10 Ge2 N16 O70 W18 -","- C192 H128 Cu20 Ge4 N32 O140 W36 -","2","0.5","","Wang, Jingping; Du, Juan; Niu, Jingyang","Novel hexanuclear copper(ii)-substituted dimeric tungstogermanates","CrystEngComm","2008","10","8","972","","10.1039/b717567a","","","0.71073","MoKα","","0.0768","0.0468","","","0.0921","0.1015","","","","","","0.885","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201875","13.579","0.01","19.011","0.011","19.341","0.01","90","","109.96","0.05","90","","4693","5","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","(Pt(4'-(o-Cl-Ph)terpy)CN)SbF6","","","- C22 H14 Cl F6 N4 Pt Sb -","- C22 H14 Cl F6 N4 Pt Sb -","- C176 H112 Cl8 F48 N32 Pt8 Sb8 -","8","2","","Field, John S.; Ledwaba, Lesibana P.; Munro, Orde Q.; McMillin, David R.","Crystal structures and photoluminescent properties of the orange and yellow forms of [Pt{4′-(o-ClC6H4)trpy}(CN)]SbF6: an example of concomitant polymorphism","CrystEngComm","2008","10","6","740","","10.1039/b717655d","","","0.71073","MoKα","","0.0864","0.0533","","","0.1353","0.1557","","","","","","0.874","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201876","7.35","0.004","20.328","0.006","15.512","0.005","90","","102.55","0.03","90","","2262.3","1.6","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","(Pt(4'-(o-Cl-Ph)terpy)CN)SbF6","","","- C22 H14 Cl F6 N4 Pt Sb -","- C22 H14 Cl F6 N4 Pt Sb -","- C88 H56 Cl4 F24 N16 Pt4 Sb4 -","4","1","","Field, John S.; Ledwaba, Lesibana P.; Munro, Orde Q.; McMillin, David R.","Crystal structures and photoluminescent properties of the orange and yellow forms of [Pt{4′-(o-ClC6H4)trpy}(CN)]SbF6: an example of concomitant polymorphism","CrystEngComm","2008","10","6","740","","10.1039/b717655d","","","0.71073","MoKα","","0.0426","0.0384","","","0.1279","0.1322","","","","","","1.057","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201877","11.0638","0.0011","12.9848","0.0011","19.8264","0.0008","73.838","0.015","73.607","0.011","87.276","0.018","2623","0.4","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H115 N6 O42.5 S6 -","- C96 H78 N6 O42.5 S6 -","- C96 H78 N6 O42.5 S6 -","1","0.5","","Liu, Yu; Li, Qiang; Guo, Dong-Sheng; Chen, Kun","Supramolecular chain-like aggregates and polymeric sandwich complexes constructed from p-sulfonatocalix[4,6]arenes with (8-hydroxy)quinoline guests","CrystEngComm","2008","10","6","675","","10.1039/b717884k","","","0.7107","MoKα","","0.1002","0.0881","","","0.2268","0.2366","","","","","","1.071","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201878","12.131","0.002","12.741","0.002","17.734","0.003","102.191","0.003","103.227","0.004","90.24","0.002","2604.1","0.7","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H120 N6 O51 S6 -","- C96 H114 N6 O51 S6 -","- C96 H114 N6 O51 S6 -","1","0.5","","Liu, Yu; Li, Qiang; Guo, Dong-Sheng; Chen, Kun","Supramolecular chain-like aggregates and polymeric sandwich complexes constructed from p-sulfonatocalix[4,6]arenes with (8-hydroxy)quinoline guests","CrystEngComm","2008","10","6","675","","10.1039/b717884k","","","0.7107","MoKα","","0.074","0.0559","","","0.1346","0.1469","","","","","","1.071","","","","has coordinates,has disorder","180349","2020-10-21","18:00:00",""
"7201879","12.9696","0.0016","23.274","0.003","20.884","0.003","90","","103.405","0.002","90","","6132.2","1.4","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C55 H63 N3 O25 S4 -","- C55 H44 N3 O25 S4 -","- C220 H176 N12 O100 S16 -","4","1","","Liu, Yu; Li, Qiang; Guo, Dong-Sheng; Chen, Kun","Supramolecular chain-like aggregates and polymeric sandwich complexes constructed from p-sulfonatocalix[4,6]arenes with (8-hydroxy)quinoline guests","CrystEngComm","2008","10","6","675","","10.1039/b717884k","","","0.71073","MoKα","","0.1223","0.0719","","","0.2049","0.2642","","","","","","1.046","","","","has coordinates,has disorder","180349","2020-10-21","18:00:00",""
"7201880","11.648","0.002","13.351","0.002","14.481","0.002","81.68","0.01","89.47","0.01","69.17","0.01","2080.5","0.6","294","","","","","","","","","","","6","P -1","-P 1","2","","","","- C47 H32 Cl3 D N8 O8 -","- C47 H32 Cl3 D N8 O8 -","- C94 H64 Cl6 D2 N16 O16 -","2","1","","Ashmore, Jason; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Synthesis and inclusion properties of new nitrated C2− symmetric diquinoline hosts","CrystEngComm","2008","10","7","839","","10.1039/b717948k","","","0.71073","MoKα","","","0.052","","","","0.073","","","","","","1.75","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201881","7.883","0.002","9.292","0.004","25.355","0.008","90","","90","","90","","1857.2","1.1","294","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C23 H16 N4 O4 -","- C23 H16 N4 O4 -","- C92 H64 N16 O16 -","4","0.5","","Ashmore, Jason; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Synthesis and inclusion properties of new nitrated C2− symmetric diquinoline hosts","CrystEngComm","2008","10","7","839","","10.1039/b717948k","","x-ray","0.71073","MoKα","","","0.052","","","","0.058","","","","","","1.64","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201882","16.642","0.006","19.026","0.008","13.49","0.003","90","","90","","90","","4271","3","294","","","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C26.5 H20 N4 O4 -","- C26.5 H18.5 N4 O4 -","- C212 H148 N32 O32 -","8","1","","Ashmore, Jason; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Synthesis and inclusion properties of new nitrated C2− symmetric diquinoline hosts","CrystEngComm","2008","10","7","839","","10.1039/b717948k","","x-ray","0.71073","MoKα","","","0.069","","","","0.072","","","","","","1.74","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201883","11.192","0.006","17.811","0.006","11.205","0.006","90","","95.81","0.03","90","","2222.1","1.8","294","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26.5 H20 N4 O4 -","- C26.5 H18.5 N4 O4 -","- C106 H74 N16 O16 -","4","1","","Ashmore, Jason; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Synthesis and inclusion properties of new nitrated C2− symmetric diquinoline hosts","CrystEngComm","2008","10","7","839","","10.1039/b717948k","","","0.71073","MoKα","","","0.062","","","","0.064","","","","","","1.58","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201884","14.2094","0.0004","19.3521","0.0005","20.5649","0.0009","90","","109.282","0.004","90","","5337.8","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H76 Cl4 N8 O22 -","- C39 H72 Cl4 N8 O22 -","- C156 H288 Cl16 N32 O88 -","4","1","","Yang, Li-Zi; Jiang, Long; Feng, Xiao-Long; Lu, Tong-Bu","Unusual pH value dependent encapsulation and release of water‒methanol binary guests by a cryptand host","CrystEngComm","2008","10","6","649","","10.1039/b717967g","","","0.71073","MoKα","","0.1405","0.0621","","","0.1579","0.2101","","","","","","0.995","","","","has coordinates,has disorder","180349","2020-10-21","18:00:00",""
"7201885","16.553","0.002","15.1396","0.0018","17.253","0.003","90","","90","","90","","4323.7","1","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C36 H62 Cl2 N8 O11 -","- C36 H62 Cl2 N8 O11 -","- C144 H248 Cl8 N32 O44 -","4","1","","Yang, Li-Zi; Jiang, Long; Feng, Xiao-Long; Lu, Tong-Bu","Unusual pH value dependent encapsulation and release of water‒methanol binary guests by a cryptand host","CrystEngComm","2008","10","6","649","","10.1039/b717967g","","","0.71073","MoKα","","0.1135","0.0589","","","0.1442","0.1736","","","","","","1.005","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201886","12.3702","0.0018","14.102","0.003","13.0089","0.0014","90","","108.853","0.009","90","","2147.6","0.6","298","2","298","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C23 H28 O6 -","- C23 H28 O6 -","- C92 H112 O24 -","4","1","","Sureshan, Kana M.; Uchimaru, Tadafumi; Yao, Yonghui; Watanabe, Yutaka","Strength from weakness: CH⋯π stabilized conformational tuning of benzyl ethers and a consequent co-operative edge-to-face CH⋯π network","CrystEngComm","2008","10","5","493","","10.1039/b718099c","","","1.54178","CuKα","","0.0606","0.0458","","","0.1183","0.128","","","","","","1.064","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7201887","12.0793","0.0004","29.4107","0.0009","23.5417","0.0008","90","","97.9242","0.0009","90","","8283.6","0.5","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C96 H104 N4 O12 -","- C96 H104 N4 O12 -","- C384 H416 N16 O48 -","4","1","","Kato, Shin-ichiro; Nakagaki, Takeshi; Shimasaki, Toshiaki; Shinmyozu, Teruo","Molecular tubes and capsules : Part III. The first X-ray crystallographic evidence of a cyclic aniline trimer via self-complementary N‒H⋯π interactions: the aniline inclusion both inside and outside the macrocyclic cavity","CrystEngComm","2008","10","5","483","","10.1039/b718306b","","","0.71069","MoKα","","0.1187","0.0655","","","0.1655","0.1888","","","","","","1.032","","","","has coordinates,has disorder","180349","2020-10-21","18:00:00",""
"7201888","10.817","0.002","14.977","0.003","15.724","0.002","100.72","0.006","91.127","0.008","102.965","0.008","2434.1","0.7","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C110 H120 N11 O12 -","- C110 H120 N11 O12 -","- C110 H120 N11 O12 -","1","0.5","","Kato, Shin-ichiro; Nakagaki, Takeshi; Shimasaki, Toshiaki; Shinmyozu, Teruo","Molecular tubes and capsules : Part III. The first X-ray crystallographic evidence of a cyclic aniline trimer via self-complementary N‒H⋯π interactions: the aniline inclusion both inside and outside the macrocyclic cavity","CrystEngComm","2008","10","5","483","","10.1039/b718306b","","","0.71075","MoKα","","0.0673","0.0521","","","0.1342","0.1437","","","","","","1.054","","","","has coordinates,has disorder","180349","2020-10-21","18:00:00",""
"7201889","12.119","0.002","13.598","0.003","22.21","0.004","80.328","0.003","85.395","0.003","67.725","0.003","3338.2","1.1","294","2","294","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H108 Gd2 N12 O92 P2 W24 -","- C60 H108 Gd2 N12 O92 P2 W24 -","- C60 H108 Gd2 N12 O92 P2 W24 -","1","0.5","","Zhang, Li-Zhi; Gu, Wen; Liu, Xin; Dong, Zhili; Li, Bing","Solid-state photopolymerization of a photochromic hybrid based on Keggin tungstophosphates","CrystEngComm","2008","10","6","652","","10.1039/b718523e","","","0.71073","MoKα","","0.1149","0.0536","","","0.092","0.1135","","","","","","1.054","","","","has coordinates,has disorder","180349","2020-10-21","18:00:00",""
"7201890","22.058","0.007","12.811","0.007","24.39","0.009","90","","107.46","0.006","90","","6575","5","294","2","273","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H54 Gd N6 O46 P W12 -","- C30 H54 Gd N6 O46 P W12 -","- C120 H216 Gd4 N24 O184 P4 W48 -","4","0.5","","Zhang, Li-Zhi; Gu, Wen; Liu, Xin; Dong, Zhili; Li, Bing","Solid-state photopolymerization of a photochromic hybrid based on Keggin tungstophosphates","CrystEngComm","2008","10","6","652","","10.1039/b718523e","","","0.71073","MoKα","","0.0599","0.0523","","","0.1212","0.1245","","","","","","1.142","","","","has coordinates,has disorder","180349","2020-10-21","18:00:00",""
"7201891","6.0417","0.001","23.07","0.004","24.165","0.004","90","","90","","90","","3368.2","1","293","2","293","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C17 H9 Cd0.5 N2 O3.5 S0.5 -","- C16.98 H9 Cd0.5 N2.02 O3.5 S0.5 -","- C135.84 H72 Cd4 N16.16 O28 S4 -","8","1","","Lian, Fen-Yan; Jiang, Fei-Long; Yuan, Da-Qiang; Chen, Jiu-Tong; Wu, Ming-Yan; Hong, Mao-Chun","Cd(II)-sulfonyldibenzoilate coordination polymers based on mono-, bi-, tri- and tetranuclear cores as nodes","CrystEngComm","2008","10","7","905","","10.1039/b718659b","","","0.71073","MoKα","","0.057","0.051","","","0.1315","0.136","","","","","","1.137","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201892","16.478","0.005","22.004","0.007","16.494","0.006","90","","114.412","0.003","90","","5446","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H36 Cd2 N4 O12 S2 -","- C52 H36 Cd2 N4 O12 S2 -","- C208 H144 Cd8 N16 O48 S8 -","4","1","","Lian, Fen-Yan; Jiang, Fei-Long; Yuan, Da-Qiang; Chen, Jiu-Tong; Wu, Ming-Yan; Hong, Mao-Chun","Cd(II)-sulfonyldibenzoilate coordination polymers based on mono-, bi-, tri- and tetranuclear cores as nodes","CrystEngComm","2008","10","7","905","","10.1039/b718659b","","","0.71073","MoKα","","0.1258","0.0843","","","0.171","0.1905","","","","","","1.147","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201893","12.354","0.003","15.312","0.003","12.315","0.003","90","","110.33","0.003","90","","2184.4","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 Cd N2 O6 S -","- C24 H16 Cd N2 O6 S -","- C96 H64 Cd4 N8 O24 S4 -","4","1","","Lian, Fen-Yan; Jiang, Fei-Long; Yuan, Da-Qiang; Chen, Jiu-Tong; Wu, Ming-Yan; Hong, Mao-Chun","Cd(II)-sulfonyldibenzoilate coordination polymers based on mono-, bi-, tri- and tetranuclear cores as nodes","CrystEngComm","2008","10","7","905","","10.1039/b718659b","","","0.71073","MoKα","","0.0276","0.0224","","","0.0534","0.0562","","","","","","1.025","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201894","10.94","0.002","13.527","0.003","13.633","0.003","106.173","0.001","106.438","0.002","102.124","0.002","1764.7","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H25 Cd1.5 N2 O12 S2 -","- C38 H25 Cd1.5 N2 O12 S2 -","- C76 H50 Cd3 N4 O24 S4 -","2","1","","Lian, Fen-Yan; Jiang, Fei-Long; Yuan, Da-Qiang; Chen, Jiu-Tong; Wu, Ming-Yan; Hong, Mao-Chun","Cd(II)-sulfonyldibenzoilate coordination polymers based on mono-, bi-, tri- and tetranuclear cores as nodes","CrystEngComm","2008","10","7","905","","10.1039/b718659b","","","0.71073","MoKα","","0.0335","0.0304","","","0.0805","0.083","","","","","","1.042","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201895","12.887","0.004","12.971","0.004","23.254","0.009","74.358","0.015","75.948","0.014","60.853","0.012","3240.3","1.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C69 H46 Cd4 N2 O24 S4 -","- C69 H46 Cd4 N2 O24 S4 -","- C138 H92 Cd8 N4 O48 S8 -","2","1","","Lian, Fen-Yan; Jiang, Fei-Long; Yuan, Da-Qiang; Chen, Jiu-Tong; Wu, Ming-Yan; Hong, Mao-Chun","Cd(II)-sulfonyldibenzoilate coordination polymers based on mono-, bi-, tri- and tetranuclear cores as nodes","CrystEngComm","2008","10","7","905","","10.1039/b718659b","","","0.71073","MoKα","","0.1653","0.0928","","","0.274","0.3124","","","","","","1.066","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201896","17.076","0.01","16.577","0.009","11.809","0.007","90","","90","","90","","3343","3","293","2","293","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C16 H17 Cd N3 O4 -","- C16 H17 Cd N3 O4 -","- C128 H136 Cd8 N24 O32 -","8","","","Brown, Kyalamboka A.; Martin, David P.; Supkowski, Ronald M.; LaDuca, Robert L.","Two- and three-dimensional divalent metal coordination polymers constructed from 2,2-dimethylsuccinate and dipyridylamine ligands","CrystEngComm","2008","10","7","846","","10.1039/b718790d","","","0.71073","MoKα","","0.0696","0.045","","","0.0983","0.108","","","","","","1.055","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201897","16.831","0.004","10.984","0.002","19.584","0.004","90","","114.956","0.003","90","","3282.5","1.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H34 Co2 N6 O8 -","- C32 H32 Co2 N6 O8 -","- C128 H128 Co8 N24 O32 -","4","1","","Brown, Kyalamboka A.; Martin, David P.; Supkowski, Ronald M.; LaDuca, Robert L.","Two- and three-dimensional divalent metal coordination polymers constructed from 2,2-dimethylsuccinate and dipyridylamine ligands","CrystEngComm","2008","10","7","846","","10.1039/b718790d","","","0.71073","MoKα","","0.172","0.0782","","","0.1608","0.1944","","","","","","1.03","","","","has coordinates,has disorder","180349","2020-10-21","18:00:00",""
"7201898","11.664","0.003","15.697","0.005","17.263","0.005","90","","90","","90","","3160.7","1.6","293","2","293","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C16 H17 Cu N3 O4 -","- C16 H17 Cu N3 O4 -","- C128 H136 Cu8 N24 O32 -","8","","","Brown, Kyalamboka A.; Martin, David P.; Supkowski, Ronald M.; LaDuca, Robert L.","Two- and three-dimensional divalent metal coordination polymers constructed from 2,2-dimethylsuccinate and dipyridylamine ligands","CrystEngComm","2008","10","7","846","","10.1039/b718790d","","","0.71073","MoKα","","0.0487","0.0449","","","0.107","0.1084","","","","","","1.24","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201899","16.316","0.006","8.094","0.003","23.421","0.008","90","","90","","90","","3093","1.9","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C16 H17 N3 Ni O4 -","- C16 H17 N3 Ni O4 -","- C128 H136 N24 Ni8 O32 -","8","1","","Brown, Kyalamboka A.; Martin, David P.; Supkowski, Ronald M.; LaDuca, Robert L.","Two- and three-dimensional divalent metal coordination polymers constructed from 2,2-dimethylsuccinate and dipyridylamine ligands","CrystEngComm","2008","10","7","846","","10.1039/b718790d","","","0.71073","MoKα","","0.0588","0.0392","","","0.0829","0.0896","","","","","","1.091","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201900","10.2844","0.0011","17.7865","0.0018","9.3905","0.001","90","","94.38","0.002","90","","1712.7","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H22 B2 Cu F8 N6 O4 -","- C34 H22 B2 Cu F8 N6 O4 -","- C68 H44 B4 Cu2 F16 N12 O8 -","2","0.5","","Wan, Chong-Qing; Chen, Xu-Dong; Mak, Thomas C. W.","Supramolecular frameworks assembled via intermolecular lone pair-aromatic interaction between carbonyl and pyridyl groups","CrystEngComm","2008","10","5","475","","10.1039/b718823d","","","0.71073","MoKα","","0.1176","0.056","","","0.1208","0.1498","","","","","","1.01","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201901","9.154","0.005","21.374","0.011","18.717","0.01","90","","90.286","0.011","90","","3662","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H27 Cu N9 O11 -","- C36 H25 Cu N9 O11 -","- C144 H100 Cu4 N36 O44 -","4","1","","Wan, Chong-Qing; Chen, Xu-Dong; Mak, Thomas C. W.","Supramolecular frameworks assembled via intermolecular lone pair-aromatic interaction between carbonyl and pyridyl groups","CrystEngComm","2008","10","5","475","","10.1039/b718823d","","","0.71073","MoKα","","0.1034","0.0565","","","0.1782","0.2226","","","","","","1.034","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201902","11.7889","0.0007","14.2524","0.0009","16.391","0.001","90","","99.416","0.001","90","","2716.9","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C9 H8 Cu I N4 S2 -","- C9 H8 Cu I N4 S2 -","- C72 H64 Cu8 I8 N32 S16 -","8","1","","Shi, Wen-Juan; Ruan, Cheng-Xiang; Li, Zhen; Li, Mian; Li, Dan","Tuning framework formation by flexible ligand elongation and second ligating spacer variation: increasing dimensionality and macrocycle size","CrystEngComm","2008","10","6","778","","10.1039/b718852h","","","0.71073","MoKα","","0.0322","0.028","","","0.0652","0.0669","","","","","","1.065","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201903","8.4287","0.0005","8.8723","0.0006","16.1154","0.0011","90","","92.731","0.001","90","","1203.77","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Cu N5 S2 -","- C10 H8 Cu N5 S2 -","- C40 H32 Cu4 N20 S8 -","4","1","","Shi, Wen-Juan; Ruan, Cheng-Xiang; Li, Zhen; Li, Mian; Li, Dan","Tuning framework formation by flexible ligand elongation and second ligating spacer variation: increasing dimensionality and macrocycle size","CrystEngComm","2008","10","6","778","","10.1039/b718852h","","","0.71073","MoKα","","0.0286","0.0265","","","0.0687","0.07","","","","","","1.05","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201904","8.805","0.001","9.0434","0.001","12.5826","0.0014","87.137","0.002","85.596","0.002","88.277","0.002","997.37","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H15 Cu I N6 S3 -","- C15 H15 Cu I N6 S3 -","- C30 H30 Cu2 I2 N12 S6 -","2","1","","Shi, Wen-Juan; Ruan, Cheng-Xiang; Li, Zhen; Li, Mian; Li, Dan","Tuning framework formation by flexible ligand elongation and second ligating spacer variation: increasing dimensionality and macrocycle size","CrystEngComm","2008","10","6","778","","10.1039/b718852h","","","0.71073","MoKα","","0.0482","0.0368","","","0.0936","0.1064","","","","","","1.071","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201905","8.3584","0.0008","9.1892","0.0009","17.7463","0.0017","90","","97.063","0.002","90","","1352.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 Cu N5 S2 -","- C11 H10 Cu N5 S2 -","- C44 H40 Cu4 N20 S8 -","4","1","","Shi, Wen-Juan; Ruan, Cheng-Xiang; Li, Zhen; Li, Mian; Li, Dan","Tuning framework formation by flexible ligand elongation and second ligating spacer variation: increasing dimensionality and macrocycle size","CrystEngComm","2008","10","6","778","","10.1039/b718852h","","","0.71073","MoKα","","0.04","0.0349","","","0.0815","0.0842","","","","","","1.037","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201906","4.5644","0.0009","8.9738","0.0018","11.778","0.002","78.05","0.03","83.67","0.03","84.67","0.03","467.88","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C5 H4 I2 N O Pb -","- C5 H4 I2 N O Pb -","- C10 H8 I4 N2 O2 Pb2 -","2","1","","Wang, Yun Jie; Li, Hao Hong; Chen, Zhi Rong; Huang, Chang Cang; Huang, Xi He; Feng, Miao; Lin, Yun","A series of lead(II)/iodine hybrid polymers based on 1-D and 2-D metal‒organic motifs linked by different organic conjugated ligands","CrystEngComm","2008","10","6","770","","10.1039/b718905b","","","0.71073","MoKα","","0.0736","0.0511","","","0.0997","0.1108","","","","","","0.949","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201907","18.866","0.004","8.6033","0.0017","9.6102","0.0019","90","","115.43","0.03","90","","1408.7","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 I2 N2 O2 Pb -","- C10 H8 I2 N2 O2 Pb -","- C40 H32 I8 N8 O8 Pb4 -","4","0.5","","Wang, Yun Jie; Li, Hao Hong; Chen, Zhi Rong; Huang, Chang Cang; Huang, Xi He; Feng, Miao; Lin, Yun","A series of lead(II)/iodine hybrid polymers based on 1-D and 2-D metal‒organic motifs linked by different organic conjugated ligands","CrystEngComm","2008","10","6","770","","10.1039/b718905b","","","0.71073","MoKα","","0.0345","0.0308","","","0.0641","0.0655","","","","","","1.071","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201908","16.872","0.005","7.2993","0.0017","12.074","0.003","90","","107.85","0.004","90","","1415.4","0.6","293","2","153.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 I N2 O2 Pb -","- C12 H13 I N2 O2 Pb -","- C48 H52 I4 N8 O8 Pb4 -","4","1","","Wang, Yun Jie; Li, Hao Hong; Chen, Zhi Rong; Huang, Chang Cang; Huang, Xi He; Feng, Miao; Lin, Yun","A series of lead(II)/iodine hybrid polymers based on 1-D and 2-D metal‒organic motifs linked by different organic conjugated ligands","CrystEngComm","2008","10","6","770","","10.1039/b718905b","","","0.71073","MoKα","","0.0377","0.0331","","","0.0735","0.076","","","","","","1.025","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201909","10.0354","0.0011","13.254","0.002","14.6231","0.0016","90","","90","","90","","1945","0.4","173","2","173","2","","","","","","","","4","P n a b","-P 2bc 2n","60","","","","- C8 H18 Cl N -","- C8 H18 Cl N -","- C64 H144 Cl8 N8 -","8","1","","Laus, Gerhard; Bentivoglio, Gino; Kahlenberg, Volker; Griesser, Ulrich J.; Schottenberger, Herwig; Nauer, Gerhard","Syntheses, crystal structures, and polymorphism of quaternary pyrrolidinium chlorides","CrystEngComm","2008","10","6","748","","10.1039/b718917f","","","0.71073","MoKα","","0.0587","0.0406","","","0.0813","0.0876","","","","","","1.047","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201910","6.4857","0.001","12.005","0.003","12.526","0.002","90","","102.746","0.013","90","","951.3","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H16 Cl N -","- C8 H16 Cl N -","- C32 H64 Cl4 N4 -","4","1","","Laus, Gerhard; Bentivoglio, Gino; Kahlenberg, Volker; Griesser, Ulrich J.; Schottenberger, Herwig; Nauer, Gerhard","Syntheses, crystal structures, and polymorphism of quaternary pyrrolidinium chlorides","CrystEngComm","2008","10","6","748","","10.1039/b718917f","","","0.71073","MoKα","","0.0662","0.0406","","","0.0878","0.097","","","","","","1.035","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201911","8.4849","0.0014","8.1271","0.0016","13.501","0.002","90","","100.408","0.013","90","","915.7","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H14 Cl N -","- C8 H14 Cl N -","- C32 H56 Cl4 N4 -","4","1","","Laus, Gerhard; Bentivoglio, Gino; Kahlenberg, Volker; Griesser, Ulrich J.; Schottenberger, Herwig; Nauer, Gerhard","Syntheses, crystal structures, and polymorphism of quaternary pyrrolidinium chlorides","CrystEngComm","2008","10","6","748","","10.1039/b718917f","","","0.71073","MoKα","","0.0308","0.0274","","","0.0699","0.0713","","","","","","1.067","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201912","13.51","0.0001","27.37","0.0002","27.991","0.0003","90","","90","","90","","10350.2","0.15","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C65 H94 Cl4 N4 O29.25 Pd2 Zn4 -","- C65 H86 Cl4 N4 O29.25 Pd2 Zn4 -","- C260 H344 Cl16 N16 O117 Pd8 Zn16 -","4","1","","Burrows, Andrew D.; Mahon, Mary F.; Wong, Claudia T. F.","Complexes as metalloligands in network formation: synthesis and characterisation of a mixed-metal coordination network containing palladium and zinc","CrystEngComm","2008","10","5","487","","10.1039/b718961c","","","0.71073","MoKα","","0.0769","0.0627","","","0.1716","0.1847","","","","","","1.046","","","","has coordinates,has disorder","180350","2020-10-21","18:00:00",""
"7201913","18.2323","0.0008","10.8209","0.0005","13.097","0.0006","90","","93.552","0.001","90","","2578.9","0.2","297","2","297","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H13 N O5 Zn -","- C12 H13 N O5 Zn -","- C96 H104 N8 O40 Zn8 -","8","1","","Wang, Fang-Kuo; Yang, Shi-Yao; Huang, Rong-Bin; Zheng, Lan-Sun; Batten, Stuart R.","Control of the topologies and packing modes of three 2D coordination polymers through variation of the solvent ratio of a binary solvent mixture","CrystEngComm","2008","10","9","1211","","10.1039/b718995h","","","0.71073","MoKα","","0.0333","0.0292","","","0.0814","0.0837","","","","","","1.078","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201914","23.2531","0.0011","10.61","0.0005","15.9768","0.0007","90","","111.641","0.001","90","","3663.9","0.3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H30 N2 O14 Zn3 -","- C32 H30 N2 O14 Zn3 -","- C128 H120 N8 O56 Zn12 -","4","0.5","","Wang, Fang-Kuo; Yang, Shi-Yao; Huang, Rong-Bin; Zheng, Lan-Sun; Batten, Stuart R.","Control of the topologies and packing modes of three 2D coordination polymers through variation of the solvent ratio of a binary solvent mixture","CrystEngComm","2008","10","9","1211","","10.1039/b718995h","","","0.71073","MoKα","","0.0413","0.0344","","","0.094","0.0972","","","","","","1.06","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201915","6.9787","0.0003","10.1257","0.0005","10.8955","0.0005","70.436","0.001","74.018","0.001","76.75","0.001","689.41","0.06","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H15 N O6 Zn -","- C12 H15 N O6 Zn -","- C24 H30 N2 O12 Zn2 -","2","1","","Wang, Fang-Kuo; Yang, Shi-Yao; Huang, Rong-Bin; Zheng, Lan-Sun; Batten, Stuart R.","Control of the topologies and packing modes of three 2D coordination polymers through variation of the solvent ratio of a binary solvent mixture","CrystEngComm","2008","10","9","1211","","10.1039/b718995h","","","0.71073","MoKα","","0.0333","0.0317","","","0.0805","0.0814","","","","","","1.047","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201919","13.175","0.003","10.498","0.002","16.82","0.005","90","","108.91","0.02","90","","2200.8","1","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C18 H34 Cl2 N2 O4 Zn -","- C18 H34 Cl2 N2 O4 Zn -","- C72 H136 Cl8 N8 O16 Zn4 -","4","1","","Braga, Dario; Grepioni, Fabrizia; Maini, Lucia; Brescello, Roberto; Cotarca, Livius","Simple and quantitative mechanochemical preparation of the first zinc and copper complexes of the neuroleptic drug gabapentin","CrystEngComm","2008","10","5","469","","10.1039/b719451j","","","0.71073","MoKα","","0.0651","0.0311","","","0.075","0.0861","","","","","","1.028","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201920","11.865","0.006","6.75","0.004","15.109","0.009","90","","112.87","0.02","90","","1114.9","1.1","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C18 H34 Cl2 Cu N2 O4 -","- C18 H34 Cl2 Cu N2 O4 -","- C36 H68 Cl4 Cu2 N4 O8 -","2","0.5","","Braga, Dario; Grepioni, Fabrizia; Maini, Lucia; Brescello, Roberto; Cotarca, Livius","Simple and quantitative mechanochemical preparation of the first zinc and copper complexes of the neuroleptic drug gabapentin","CrystEngComm","2008","10","5","469","","10.1039/b719451j","","","0.71073","MoKα","","0.1101","0.0601","","","0.1586","0.1838","","","","","","0.98","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201921","11.0436","0.0005","12.9919","0.0006","16.8564","0.0009","90","","90","","90","","2418.5","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 Fe N6 O4 Zn -","- C22 H26 Fe N6 O4 Zn -","- C88 H104 Fe4 N24 O16 Zn4 -","4","1","","He, Cheng; Zhang, Bingguang; Xie, Lixia; Liu, Yang; Duan, Chunying","Stereoselective association of ferrocene-contained molecular clips in coordination polymers","CrystEngComm","2008","10","6","759","","10.1039/b719509e","","","0.71073","MoKα","","0.0451","0.0353","","","0.0779","0.0802","","","","","","1.016","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201922","11.0485","0.0003","12.9858","0.0004","16.8845","0.0005","90","","90","","90","","2422.48","0.12","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 Fe N6 O4 Zn -","- C22 H26 Fe N6 O4 Zn -","- C88 H104 Fe4 N24 O16 Zn4 -","4","1","","He, Cheng; Zhang, Bingguang; Xie, Lixia; Liu, Yang; Duan, Chunying","Stereoselective association of ferrocene-contained molecular clips in coordination polymers","CrystEngComm","2008","10","6","759","","10.1039/b719509e","","","0.71073","MoKα","","0.0383","0.0297","","","0.0579","0.0596","","","","","","1.009","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201923","12.914","0.003","12.914","0.003","29.512","0.008","90","","90","","90","","4922","2","293","2","293","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C72 H80 Cd3 Fe4 I6 N24 -","- C72 H80 Cd3 Fe4 I6 N24 -","- C144 H160 Cd6 Fe8 I12 N48 -","2","0.125","","He, Cheng; Zhang, Bingguang; Xie, Lixia; Liu, Yang; Duan, Chunying","Stereoselective association of ferrocene-contained molecular clips in coordination polymers","CrystEngComm","2008","10","6","759","","10.1039/b719509e","","","0.71073","MoKα","","0.1359","0.0711","","","0.149","0.1586","","","","","","1.023","","","","has coordinates,has disorder","180350","2020-10-21","18:00:00",""
"7201924","5.81","0.0002","19.6315","0.0005","21.7087","0.0006","85.918","0.002","86.164","0.002","84.482","0.002","2453.85","0.13","293","","293","","","","","","","","","4","P -1","-P 1","2","Cytenamide form II","5H-Dibenzo[a,d]cycloheptene-5-carboxamide","","- C16 H13 N O -","- C16 H13 N O -","- C128 H104 N8 O8 -","8","4","","Florence, A. J.; Bedford, C. T.; Fabbiani, F. P. A.; Shankland, K.; Gelbrich, T.; Hursthouse, M. B.; Shankland, N.; Johnston, A.; Fernandes, P.","Two-dimensional similarity between forms I and II of cytenamide, a carbamazepine analogue","CrystEngComm","2008","10","7","811","","10.1039/b719717a","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","3.08","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201925","33.9078","0.001","33.9078","0.001","5.6754","0.0002","90","","90","","120","","5651","0.3","120","","120","2","","","","","","","","4","R -3 :H","-R 3","148","Cytenamide form I","5H-Dibenzo[a,d]cycloheptene-5-carboxamide","","- C16 H13 N O -","- C16 H13 N O -","- C288 H234 N18 O18 -","18","1","","Florence, A. J.; Bedford, C. T.; Fabbiani, F. P. A.; Shankland, K.; Gelbrich, T.; Hursthouse, M. B.; Shankland, N.; Johnston, A.; Fernandes, P.","Two-dimensional similarity between forms I and II of cytenamide, a carbamazepine analogue","CrystEngComm","2008","10","7","811","","10.1039/b719717a","","","0.71073","MoKα","","0.1461","0.071","","0.215","0.1685","0.215","","","","","","0.9575","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201926","16.514","0.0004","11.7929","0.0002","20.8057","0.0004","90","","102.894","0.002","90","","3949.7","0.14","150","2","150","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C32 H36 Cd Cl2 N6 O12 -","- C32 H28 Cd Cl2 N6 O12 -","- C128 H112 Cd4 Cl8 N24 O48 -","4","1","","Jiang, Ji-Jun; Liu, Yong-Ru; Yang, Rui; Pan, Mei; Cao, Rong; Su, Cheng-Yong","The interplay of coordinative and hydrogen-bonding in directing the [M(4,4′-bpy)2(H2O)2] square-grid networks: formation of 3D porous framework [Cd(4,4′-bpy)2(H2O)2](ClO4)2(4,4′-bpy)(CH3OH)2","CrystEngComm","2008","10","9","1147","","10.1039/b719970h","","","0.71073","MoKα","","0.0805","0.0608","","","0.162","0.1726","","","","","","1.016","","","","has coordinates,has disorder","180350","2020-10-21","18:00:00",""
"7201927","32.4649","0.0015","16.5884","0.0007","12.2905","0.0006","90","","91.198","0.002","90","","6617.5","0.5","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C56 H34 Co N6 O4 Zn -","- C56 H34 Co N6 O4 Zn -","- C224 H136 Co4 N24 O16 Zn4 -","4","0.5","","Choi, Eun-Young; Barron, Paul M.; Novotney, Richard W.; Hu, Chunhua; Kwon, Young-UK; Choe, Wonyoung","A mixed-linker porphyrin framework with CdI2-type topology","CrystEngComm","2008","10","7","824","","10.1039/b720035h","","","0.71073","MoKα","","0.0773","0.0597","","","0.1434","0.1521","","","","","","1","","","","has coordinates,has disorder","180350","2020-10-21","18:00:00",""
"7201932","10.367","0.002","15.626","0.004","16.826","0.004","90","","100.128","0.004","90","","2683.2","1.1","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C56 H48 Ag2 B2 F8 N6 O P2 -","- C56 H48 Ag2 B2 F8 N6 O P2 -","- C112 H96 Ag4 B4 F16 N12 O2 P4 -","2","0.5","","Wang, Xiu-Jian; Gui, Liu-Cheng; Ni, Qing-Ling; Liao, Yan-Fang; Jiang, Xuan-Feng; Tang, Ling-Hua; Zhang, Zhong; Wu, Qiang","π-Stacking induced complexes with Z-shape motifs featuring a complementary approach between electron-rich arene diamines and electron-deficient aromatic N-heterocycles","CrystEngComm","2008","10","8","1003","","10.1039/b800082d","","","0.71073","MoKα","","0.1098","0.0866","","","0.2341","0.2434","","","","","","1.271","","","","has coordinates,has disorder","180350","2020-10-21","18:00:00",""
"7201933","10.6264","0.0014","16.485","0.002","16.248","0.002","90","","90.546","0.003","90","","2846.1","0.6","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C60 H54 Cl2 Cu2 N8 O9 P2 -","- C60 H54 Cl2 Cu2 N8 O9 P2 -","- C120 H108 Cl4 Cu4 N16 O18 P4 -","2","0.5","","Wang, Xiu-Jian; Gui, Liu-Cheng; Ni, Qing-Ling; Liao, Yan-Fang; Jiang, Xuan-Feng; Tang, Ling-Hua; Zhang, Zhong; Wu, Qiang","π-Stacking induced complexes with Z-shape motifs featuring a complementary approach between electron-rich arene diamines and electron-deficient aromatic N-heterocycles","CrystEngComm","2008","10","8","1003","","10.1039/b800082d","","","0.71073","MoKα","","0.082","0.0534","","","0.1439","0.1659","","","","","","1.037","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201934","11.0034","0.0004","18.8661","0.0007","15.7613","0.0007","90","","102.728","0.004","90","","3191.5","0.2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H32 Cl Cu N4 O5 P -","- C31 H32 Cl Cu N4 O5 P -","- C124 H128 Cl4 Cu4 N16 O20 P4 -","4","1","","Wang, Xiu-Jian; Gui, Liu-Cheng; Ni, Qing-Ling; Liao, Yan-Fang; Jiang, Xuan-Feng; Tang, Ling-Hua; Zhang, Zhong; Wu, Qiang","π-Stacking induced complexes with Z-shape motifs featuring a complementary approach between electron-rich arene diamines and electron-deficient aromatic N-heterocycles","CrystEngComm","2008","10","8","1003","","10.1039/b800082d","","","0.71073","MoKα","","0.0893","0.0487","","","0.1093","0.1298","","","","","","1.019","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201935","10.0967","0.001","15.5266","0.0016","16.6702","0.0017","90","","93.3","0.002","90","","2609","0.5","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H48 Ag2 N8 O6 P2 -","- C60 H48 Ag2 N8 O6 P2 -","- C120 H96 Ag4 N16 O12 P4 -","2","0.5","","Wang, Xiu-Jian; Gui, Liu-Cheng; Ni, Qing-Ling; Liao, Yan-Fang; Jiang, Xuan-Feng; Tang, Ling-Hua; Zhang, Zhong; Wu, Qiang","π-Stacking induced complexes with Z-shape motifs featuring a complementary approach between electron-rich arene diamines and electron-deficient aromatic N-heterocycles","CrystEngComm","2008","10","8","1003","","10.1039/b800082d","","","0.71073","MoKα","","0.0563","0.0345","","","0.0754","0.0837","","","","","","1.026","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201936","14.2741","0.0002","16.3621","0.0002","19.4747","0.0002","90","","94.458","0.001","90","","4534.64","0.1","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C50 H48 B Cu F4 N4 O P2 -","- C50 H48 B Cu F4 N4 O P2 -","- C200 H192 B4 Cu4 F16 N16 O4 P8 -","4","1","","Wang, Xiu-Jian; Gui, Liu-Cheng; Ni, Qing-Ling; Liao, Yan-Fang; Jiang, Xuan-Feng; Tang, Ling-Hua; Zhang, Zhong; Wu, Qiang","π-Stacking induced complexes with Z-shape motifs featuring a complementary approach between electron-rich arene diamines and electron-deficient aromatic N-heterocycles","CrystEngComm","2008","10","8","1003","","10.1039/b800082d","","","1.5418","CuKα","","0.1092","0.0678","","","0.1917","0.2573","","","","","","1.086","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201937","9.6449","0.0013","12.4087","0.0017","14.0021","0.0019","103.029","0.002","98.029","0.002","91.023","0.002","1614.5","0.4","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H31 Ag F3 N4 O4 P S -","- C32 H31 Ag F3 N4 O4 P S -","- C64 H62 Ag2 F6 N8 O8 P2 S2 -","2","1","","Wang, Xiu-Jian; Gui, Liu-Cheng; Ni, Qing-Ling; Liao, Yan-Fang; Jiang, Xuan-Feng; Tang, Ling-Hua; Zhang, Zhong; Wu, Qiang","π-Stacking induced complexes with Z-shape motifs featuring a complementary approach between electron-rich arene diamines and electron-deficient aromatic N-heterocycles","CrystEngComm","2008","10","8","1003","","10.1039/b800082d","","","0.71073","MoKα","","0.0682","0.041","","","0.0908","0.1029","","","","","","1.032","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201938","10.7773","0.0003","18.935","0.0005","16.3066","0.0004","90","","91.061","0.001","90","","3327.09","0.15","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C102 H42 Au2 Cl2 O6 P2 -","- C102 H42 Au2 Cl2 O6 P2 -","- C204 H84 Au4 Cl4 O12 P4 -","2","0.5","","Schulz-Dobrick, Martin; Jansen, Martin","Intermolecular forces in intercluster compounds consisting of gold clusters and fullerides and in a series of model compounds C60·2(PR3)AuCl","CrystEngComm","2008","10","6","661","","10.1039/b800093j","","","0.71073","MoKα","","0.0367","0.0299","","","0.0715","0.0741","","","","","","1.052","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201939","10.8831","0.0003","19.0041","0.0006","16.5771","0.0005","90","","90.243","0.001","90","","3428.5","0.18","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C102 H42 Au2 Cl2 O6 P2 -","- C102 H42 Au2 Cl2 O6 P2 -","- C204 H84 Au4 Cl4 O12 P4 -","2","0.5","","Schulz-Dobrick, Martin; Jansen, Martin","Intermolecular forces in intercluster compounds consisting of gold clusters and fullerides and in a series of model compounds C60·2(PR3)AuCl","CrystEngComm","2008","10","6","661","","10.1039/b800093j","","","0.71073","MoKα","","0.0587","0.0437","","","0.1078","0.1248","","","","","","1.072","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201940","12.3426","0.0002","12.3426","0.0002","73.352","0.002","90","","90","","120","","9677.3","0.3","100","2","100","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C102 H42 Au2 Cl2 P2 -","- C102 H42 Au2 Cl2 P2 -","- C612 H252 Au12 Cl12 P12 -","6","0.166667","","Schulz-Dobrick, Martin; Jansen, Martin","Intermolecular forces in intercluster compounds consisting of gold clusters and fullerides and in a series of model compounds C60·2(PR3)AuCl","CrystEngComm","2008","10","6","661","","10.1039/b800093j","","","0.71073","MoKα","","0.0297","0.0205","","","0.056","0.0623","","","","","","1.084","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201941","9.7103","0.0011","10.0679","0.0011","24.245","0.003","90","","90.852","0.002","90","","2370","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H22 Co N2 O5 -","- C27 H22 Co N2 O5 -","- C108 H88 Co4 N8 O20 -","4","1","","Hu, Yawei; Li, Guanghua; Liu, Xiaomin; Hu, Bin; Bi, Minghui; Gao, Lu; Shi, Zhan; Feng, Shouhua","Hydrothermal synthesis and characterization of metal‒organic networks with helical units in a mixed ligand system","CrystEngComm","2008","10","7","888","","10.1039/b800255j","","","0.71073","MoKα","","0.0973","0.0521","","","0.1192","0.1432","","","","","","1.02","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201942","13.979","0.003","19.7","0.005","36.094","0.009","90","","90","","90","","9940","4","293","2","293","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C27 H24 Co N2 O6 -","- C27 H22 Co N2 O6 -","- C432 H352 Co16 N32 O96 -","16","0.5","","Hu, Yawei; Li, Guanghua; Liu, Xiaomin; Hu, Bin; Bi, Minghui; Gao, Lu; Shi, Zhan; Feng, Shouhua","Hydrothermal synthesis and characterization of metal‒organic networks with helical units in a mixed ligand system","CrystEngComm","2008","10","7","888","","10.1039/b800255j","","","0.71073","MoKα","","0.1499","0.0992","","","0.2565","0.3002","","","","","","1.035","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201943","14.6809","0.0016","7.4146","0.0009","24.35","0.003","90","","90","","90","","2650.6","0.5","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H11 N3 O2 -","- C15 H11 N3 O2 -","- C120 H88 N24 O16 -","8","1","","Shin, Ji-Young; Patrick, Brian O.; Dolphin, David","Conformational flexibility of dipyrromethenes: supramolecular assemblies with hydroquinones","CrystEngComm","2008","10","8","960","","10.1039/b800367j","","","0.71073","MoKα","","0.0621","0.0403","","","0.1051","0.116","","","","","","1.074","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201944","10.508","0.002","19.587","0.003","11.039","0.002","90","","107.97","0.01","90","","2161.2","0.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H13 Cl2 N5 O4 -","- C23 H13 Cl2 N5 O4 -","- C92 H52 Cl8 N20 O16 -","4","1","","Shin, Ji-Young; Patrick, Brian O.; Dolphin, David","Conformational flexibility of dipyrromethenes: supramolecular assemblies with hydroquinones","CrystEngComm","2008","10","8","960","","10.1039/b800367j","","","0.71073","MoKα","","0.0756","0.0456","","","0.1087","0.129","","","","","","1.09","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201945","6.7056","0.0003","18.3989","0.001","27.453","0.0017","90","","92.523","0.004","90","","3383.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H42 N4 O24 U2 -","- C18 H30 N4 O24 U2 -","- C72 H120 N16 O96 U8 -","4","1","","Thuéry, Pierre","The first crystal structure of an actinide complex of the macrocyclic ligand DOTA: a two-dimensional uranyl‒organic framework","CrystEngComm","2008","10","7","808","","10.1039/b800392k","","","0.71073","MoKα","","0.0498","0.033","","","0.0735","0.0779","","","","","","1.025","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201946","7.8528","0.0016","11.78","0.002","17.456","0.004","93.85","0.03","94.7","0.03","91.87","0.03","1604.5","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H29 Dy N3 O10 S6 -","- C24 H29 Dy N3 O10 S6 -","- C48 H58 Dy2 N6 O20 S12 -","2","1","","Li, Fengyan; Xu, Lin; Bi, Bo; Liu, Xizheng; Fan, Lihua","1D lanthanide(iii) coordination polymers with disulfide ligand generated in situ","CrystEngComm","2008","10","6","693","","10.1039/b800437b","","","0.71073","MoKα","","0.0307","0.0266","","","0.0699","0.0707","","","","","","1.221","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201947","7.8341","0.0003","11.8843","0.0005","17.5342","0.0008","94.087","0.001","94.699","0.001","91.995","0.001","1621.5","0.12","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H29 Eu N3 O10 S6 -","- C24 H29 Eu N3 O10 S6 -","- C48 H58 Eu2 N6 O20 S12 -","2","1","","Li, Fengyan; Xu, Lin; Bi, Bo; Liu, Xizheng; Fan, Lihua","1D lanthanide(iii) coordination polymers with disulfide ligand generated in situ","CrystEngComm","2008","10","6","693","","10.1039/b800437b","","","0.71073","MoKα","","0.0779","0.0499","","","0.0878","0.1085","","","","","","1.015","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201948","7.74","0.0015","12.154","0.002","17.433","0.004","73.85","0.03","88.22","0.03","88.55","0.03","1574.2","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H27 N3 Nd O9 S6 -","- C24 H21 N3 Nd O9 S6 -","- C48 H42 N6 Nd2 O18 S12 -","2","1","","Li, Fengyan; Xu, Lin; Bi, Bo; Liu, Xizheng; Fan, Lihua","1D lanthanide(iii) coordination polymers with disulfide ligand generated in situ","CrystEngComm","2008","10","6","693","","10.1039/b800437b","","","0.71073","MoKα","","0.0752","0.0541","","","0.1142","0.1264","","","","","","0.988","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201949","37.034","0.007","11.725","0.002","23.127","0.005","90","","108.75","0.03","90","","9509","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H44 Co2 N16 S4 -","- C44 H44 Co2 N16 S4 -","- C352 H352 Co16 N128 S32 -","8","1","","Qi, Yan; Che, Yun-Xia; Batten, Stuart R.; Zheng, Ji-Min","Unprecedented trinodal 4-connected metal‒organic frameworks (MOFs) with 2-fold interpenetration","CrystEngComm","2008","10","8","1027","","10.1039/b800709h","","","0.71073","MoKα","","0.0939","0.047","","","0.1003","0.1175","","","","","","1.008","","","","has coordinates,has disorder","180350","2020-10-21","18:00:00",""
"7201950","7.7631","0.0016","12.907","0.003","15.69","0.003","100.4","0.03","103.54","0.03","98.97","0.03","1470.7","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H25 N6 O4 S2 -","- C32 H25 N6 O4 S2 -","- C64 H50 N12 O8 S4 -","2","1","","Broker, Grant A.; Bettens, Ryan P. A.; Tiekink, Edward R. T.","Co-crystallisation of 2,2′-dithiodibenzoic acid with the isomeric n-pyridinealdazines, n = 2, 3 and 4: supramolecular polymers and the influence of steric factors upon aggregation patterns","CrystEngComm","2008","10","7","879","","10.1039/b800797g","","","0.71073","MoKα","","0.037","0.036","","","0.088","0.088","","","","","","1.1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201951","12.115","0.009","5.258","0.004","18.704","0.015","90","","92.55","0.02","90","","1190.3","1.6","120","2","120","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C26 H20 N4 O4 S2 -","- C26 H20 N4 O4 S2 -","- C52 H40 N8 O8 S4 -","2","0.5","","Broker, Grant A.; Bettens, Ryan P. A.; Tiekink, Edward R. T.","Co-crystallisation of 2,2′-dithiodibenzoic acid with the isomeric n-pyridinealdazines, n = 2, 3 and 4: supramolecular polymers and the influence of steric factors upon aggregation patterns","CrystEngComm","2008","10","7","879","","10.1039/b800797g","","","0.7107","MoKα","","0.098","0.088","","","0.169","0.174","","","","","","1.22","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201952","27.672","0.006","5.0086","0.001","19.107","0.004","90","","90","","90","","2648.2","1","153","2","153","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C27 H22 Cl2 N4 O4 S2 -","- C27 H22 Cl2 N4 O4 S2 -","- C108 H88 Cl8 N16 O16 S8 -","4","0.5","","Broker, Grant A.; Bettens, Ryan P. A.; Tiekink, Edward R. T.","Co-crystallisation of 2,2′-dithiodibenzoic acid with the isomeric n-pyridinealdazines, n = 2, 3 and 4: supramolecular polymers and the influence of steric factors upon aggregation patterns","CrystEngComm","2008","10","7","879","","10.1039/b800797g","","","0.71073","MoKα","","0.077","0.072","","","0.187","0.191","","","","","","1.16","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201953","8.927","0.0007","14.0754","0.0011","15.1592","0.0012","90","","98.899","0.003","90","","1881.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 N4 O4 Zn -","- C19 H20 N4 O4 Zn -","- C76 H80 N16 O16 Zn4 -","4","1","","Mondal, Raju; Bhunia, Manas Kumar; Dhara, Koushik","Crystal engineering of zinc(II) metal‒organic frameworks: role of steric bulk and angular disposition of coordinating sites of the ligands","CrystEngComm","2008","10","9","1167","","10.1039/b800908b","","","0.71073","MoKα","","0.0707","0.0435","","","0.1106","0.1275","","","","","","1.013","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201954","8.5804","0.0002","16.1162","0.0004","15.2193","0.0004","90","","90.428","0.001","90","","2104.52","0.09","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 N4 O6 Zn -","- C20 H20 N4 O6 Zn -","- C80 H80 N16 O24 Zn4 -","4","1","","Mondal, Raju; Bhunia, Manas Kumar; Dhara, Koushik","Crystal engineering of zinc(II) metal‒organic frameworks: role of steric bulk and angular disposition of coordinating sites of the ligands","CrystEngComm","2008","10","9","1167","","10.1039/b800908b","","","0.71073","MoKα","","0.0535","0.0353","","","0.0818","0.09","","","","","","1.024","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201955","19.591","0.001","13.486","0.0007","19.155","0.001","90","","120.24","0.002","90","","4372.2","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H20 N4 O4 Zn -","- C19 H20 N4 O4 Zn -","- C152 H160 N32 O32 Zn8 -","8","1","","Mondal, Raju; Bhunia, Manas Kumar; Dhara, Koushik","Crystal engineering of zinc(II) metal‒organic frameworks: role of steric bulk and angular disposition of coordinating sites of the ligands","CrystEngComm","2008","10","9","1167","","10.1039/b800908b","","","0.71073","MoKα","","0.0906","0.0501","","","0.1329","0.1546","","","","","","1.019","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201957","10.1491","0.0003","11.4654","0.0003","15.1523","0.0004","71.8196","0.0016","82.5003","0.0013","82.8793","0.0017","1654.33","0.08","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C38 H28 Cu F6 N4 O2 P -","- C38 H28 Cu F6 N4 O2 P -","- C76 H56 Cu2 F12 N8 O4 P2 -","2","1","","Constable, Edwin C.; Chaurin, Valérie; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia","The aryl‒phen and phen‒phen embraces—new supramolecular motifs","CrystEngComm","2008","10","8","1063","","10.1039/b801019f","","","0.71073","MoKα","","0.0576","0.038","","0.0615","0.0447","0.0447","","","","","","1.1026","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201958","8.8291","0.0016","13.493","0.002","5.252","0.001","90","","106.338","0.002","90","","600.41","0.18","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H5 Ag N2 O2 -","- C5 H5 Ag N2 O2 -","- C20 H20 Ag4 N8 O8 -","4","1","","Hu, Tong-Liang; Du, Wen-Ping; Hu, Bo-Wen; Li, Jian-Rong; Bu, Xian-He; Cao, Rong","Novel Ag(I) complexes with azole heterocycle ligands bearing acetic acid group: synthesis, characterization and crystal structures","CrystEngComm","2008","10","8","1037","","10.1039/b801070f","","","0.71073","MoKα","","0.0283","0.0239","","","0.0592","0.0616","","","","","","1.097","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201959","6.345","0.0015","8.1285","0.0019","8.659","0.002","75.091","0.004","83.106","0.004","88.947","0.004","428.4","0.17","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H15 Ag N4 O4 -","- C18 H15 Ag N4 O4 -","- C18 H15 Ag N4 O4 -","1","0.5","","Hu, Tong-Liang; Du, Wen-Ping; Hu, Bo-Wen; Li, Jian-Rong; Bu, Xian-He; Cao, Rong","Novel Ag(I) complexes with azole heterocycle ligands bearing acetic acid group: synthesis, characterization and crystal structures","CrystEngComm","2008","10","8","1037","","10.1039/b801070f","","","0.71073","MoKα","","0.0343","0.0291","","","0.066","0.0684","","","","","","1.098","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201960","7.4412","0.0016","6.3884","0.0013","12.68","0.003","90","","90","","90","","602.8","0.2","294","2","294","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C4 H4 Ag N3 O2 -","- C4 H4 Ag N3 O2 -","- C16 H16 Ag4 N12 O8 -","4","1","","Hu, Tong-Liang; Du, Wen-Ping; Hu, Bo-Wen; Li, Jian-Rong; Bu, Xian-He; Cao, Rong","Novel Ag(I) complexes with azole heterocycle ligands bearing acetic acid group: synthesis, characterization and crystal structures","CrystEngComm","2008","10","8","1037","","10.1039/b801070f","","","0.71073","MoKα","","0.0207","0.018","","","0.0379","0.0389","","","","","","1.113","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201961","13.977","0.003","4.4046","0.0008","14.76","0.003","90","","110.365","0.003","90","","851.9","0.3","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H6 Ag N3 O2 -","- C8 H6 Ag N3 O2 -","- C32 H24 Ag4 N12 O8 -","4","1","","Hu, Tong-Liang; Du, Wen-Ping; Hu, Bo-Wen; Li, Jian-Rong; Bu, Xian-He; Cao, Rong","Novel Ag(I) complexes with azole heterocycle ligands bearing acetic acid group: synthesis, characterization and crystal structures","CrystEngComm","2008","10","8","1037","","10.1039/b801070f","","","0.71073","MoKα","","0.0362","0.0289","","","0.0732","0.0784","","","","","","1.053","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201962","22.113","0.003","6.9149","0.0012","7.7209","0.0014","90","","90","","90","","1180.6","0.3","113","2","113","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C9 H12 Co N2 O5.5 -","- C9 H9 Co N2 O4 -","- C36 H36 Co4 N8 O16 -","4","1","","Zhu, Ping; Gu, Wen; Cheng, Fang-Yi; Liu, Xin; Chen, Jun; Yan, Shi-Ping; Liao, Dai-Zheng","Design of two 3D homochiral Co(II) metal‒organic open frameworks by layered-pillar strategy: structure and properties","CrystEngComm","2008","10","8","963","","10.1039/b801177j","","","0.7107","MoKα","","0.0737","0.07","","","0.1689","0.1716","","","","","","1.073","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7201963","21.956","0.004","6.8823","0.0014","7.741","0.0015","90","","90","","90","","1169.7","0.4","113","2","113","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C9 H9 Co N2 O4 -","- C9 H9 Co N2 O4 -","- C36 H36 Co4 N8 O16 -","4","1","","Zhu, Ping; Gu, Wen; Cheng, Fang-Yi; Liu, Xin; Chen, Jun; Yan, Shi-Ping; Liao, Dai-Zheng","Design of two 3D homochiral Co(II) metal‒organic open frameworks by layered-pillar strategy: structure and properties","CrystEngComm","2008","10","8","963","","10.1039/b801177j","","","0.71073","MoKα","","0.1157","0.113","","","0.2504","0.2517","","","","","","1.093","","","","has coordinates,has disorder","180350","2020-10-21","18:00:00",""
"7201964","15.0535","0.0016","21.8564","0.0019","3.6939","0.0004","90","","90","","90","","1215.3","0.2","293","2","293","2","","","","","","","","6","C 2 2 2","C 2 2","21","","","","- C40 H32 Ag4 Cl2 N10 O6 -","- C40 H32 Ag4 Cl2 N10 O6 -","- C40 H32 Ag4 Cl2 N10 O6 -","1","0.125","","Zhang, Lei; Li, Zhao-Ji; Qin, Ye-Yan; Zhang, Jian; Cheng, Jian-Kai; Yin, Pei-Xiu; Yao, Yuan-Gen","Homochiral moganite-type metal‒organic framework based on unusual (Ag2Cl)n skeletons","CrystEngComm","2008","10","6","655","","10.1039/b801310a","","","0.71073","MoKα","","0.0515","0.0451","","","0.131","0.1374","","","","","","1.012","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201965","22.482","0.005","9.5886","0.0019","18.532","0.004","90","","104.14","0.03","90","","3873.9","1.5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H30 N4 O14 Zn3 -","- C36 H30 N4 O14 Zn3 -","- C144 H120 N16 O56 Zn12 -","4","0.5","","Qi, Yan; Che, Yun-Xia; Zheng, Ji-Min","A zinc(ii) coordination polymer constructed from mixed-ligand 1,2-bis(2-(1H-imidazol-1-yl)ethoxy)ethane and 1,4-benzenedicarboxylic acid","CrystEngComm","2008","10","9","1137","","10.1039/b801387j","","x-ray","0.71073","MoKα","","0.0362","0.0284","","","0.0668","0.0702","","","","","","1.043","","","","has coordinates,has disorder","180350","2020-10-21","18:00:00",""
"7201967","20.6133","0.0003","18.2159","0.0003","38.3918","0.0005","90","","97.174","0.001","90","","14302.9","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","C4S20","","","- C68 H84 N4 O32 S4 -","- C68 H60 N4 O32.013 S4 -","- C544 H480 N32 O256.104 S32 -","8","1","","Shkurenko, Oleksandr; Suwinska, Kinga; Coleman, Anthony W.","Breaking down the para-sulfonato-calix[4]arene bilayer motif into tapes and fences: the solid-state structure of the complex with 6-methoxyquinoline","CrystEngComm","2008","10","7","821","","10.1039/b801435c","","","0.71073","MoKα","","0.0882","0.0787","","","0.1788","0.1843","","","","","","1.068","","","","has coordinates,has disorder","180350","2020-10-21","18:00:00",""
"7201968","12.2555","0.0006","10.4744","0.0005","7.2559","0.0004","90","","83.019","0.005","90","","924.53","0.08","300","","300","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Bis(acetonitrile)-mu-fluoro-mu-tetrafluoroboratechromium(ii)","Bis(acetonitrile)-mu-fluoro-mu-tetrafluoroboratechromium(II)","","- C4 H6 B Cr F5 N2 -","- C4 H6 B Cr F5 N2 -","- C16 H24 B4 Cr4 F20 N8 -","4","0.5","","Her, Jae-Hyuk; Stephens, Peter W.; Zhu, Qiuying; Nelson, Kendric J.; Miller, Joel S.","Structure of CrIIF(NCMe)2BF4. Rietveld refinement of a component of a physical mixture of unknown composition","CrystEngComm","2008","10","12","1728","","10.1039/b801509k","powder diffraction","","0.700486","synchrotron","","","","","","","","","0.01","1.141","","","","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201969","16.161","0.0012","16.161","0.0012","16.59","0.002","90","","90","","120","","3752.4","0.6","198","2","198","2","","","","","","","","5","R -3 :H","-R 3","148","Zinc(ii) stilbenedicarboxyl dimethylamide","","","- C54 H44 N2 O14 Zn3 -","- C53.94 H43.86 N1.98 O14 Zn3 -","- C161.82 H131.58 N5.94 O42 Zn9 -","3","0.166667","","Kim, Hyunuk; Park, Gyungse; Kim, Kimoon","Two-dimensional metal‒organic network with an unusual 36 topology and a cubic close packing pattern","CrystEngComm","2008","10","8","954","","10.1039/b801536h","","","0.71073","MoKα","","0.0591","0.0522","","","0.1507","0.1557","","","","","","1.05","","","","has coordinates,has disorder","180350","2020-10-21","18:00:00",""
"7201970","8.57203","0.00067","9.30117","0.00049","5.60429","0.00045","90","","90","","90","","446.83","0.06","298","","298","","76000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-serine-d7","L-serine-d7","","- C3 D7 N O3 -","- C3 D7 N O3 -","- C12 D28 N4 O12 -","4","1","","Wood, Peter A.; Francis, Duncan; Marshall, William G.; Moggach, Stephen A.; Parsons, Simon; Pidcock, Elna; Rohl, Andrew L.","A study of the high-pressure polymorphs of L-serine using ab initio structures and PIXEL calculations","CrystEngComm","2008","10","9","1154","","10.1039/b801571f","powder diffraction","neutron","","Neutron","","","","","","","","","","1.562","","","","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201971","8.4877","0.00068","9.09431","0.00054","5.57539","0.00047","90","","90","","90","","430.36","0.06","298","","298","","940000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-serine-d7","L-serine-d7","","- C3 D7 N O3 -","- C3 D7 N O3 -","- C12 D28 N4 O12 -","4","1","","Wood, Peter A.; Francis, Duncan; Marshall, William G.; Moggach, Stephen A.; Parsons, Simon; Pidcock, Elna; Rohl, Andrew L.","A study of the high-pressure polymorphs of L-serine using ab initio structures and PIXEL calculations","CrystEngComm","2008","10","9","1154","","10.1039/b801571f","powder diffraction","neutron","","Neutron","","","","","","","","","","1.603","","","","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201972","8.44354","0.00073","8.96414","0.00056","5.55463","0.0005","90","","90","","90","","420.42","0.06","298","","298","","1613000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-serine-d7","L-serine-d7","","- C3 D7 N O3 -","- C3 D7 N O3 -","- C12 D28 N4 O12 -","4","1","","Wood, Peter A.; Francis, Duncan; Marshall, William G.; Moggach, Stephen A.; Parsons, Simon; Pidcock, Elna; Rohl, Andrew L.","A study of the high-pressure polymorphs of L-serine using ab initio structures and PIXEL calculations","CrystEngComm","2008","10","9","1154","","10.1039/b801571f","powder diffraction","neutron","","Neutron","","","","","","","","","","1.481","","","","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201973","8.39175","0.00069","8.80598","0.00051","5.52187","0.0005","90","","90","","90","","408.05","0.06","298","","298","","2625000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-serine-d7","L-serine-d7","","- C3 D7 N O3 -","- C3 D7 N O3 -","- C12 D28 N4 O12 -","4","1","","Wood, Peter A.; Francis, Duncan; Marshall, William G.; Moggach, Stephen A.; Parsons, Simon; Pidcock, Elna; Rohl, Andrew L.","A study of the high-pressure polymorphs of L-serine using ab initio structures and PIXEL calculations","CrystEngComm","2008","10","9","1154","","10.1039/b801571f","powder diffraction","neutron","","Neutron","","","","","","","","","","1.481","","","","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201974","8.35471","0.00071","8.70622","0.00053","5.49678","0.00053","90","","90","","90","","399.82","0.06","298","","298","","3458000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-serine-d7","L-serine-d7","","- C3 D7 N O3 -","- C3 D7 N O3 -","- C12 D28 N4 O12 -","4","1","","Wood, Peter A.; Francis, Duncan; Marshall, William G.; Moggach, Stephen A.; Parsons, Simon; Pidcock, Elna; Rohl, Andrew L.","A study of the high-pressure polymorphs of L-serine using ab initio structures and PIXEL calculations","CrystEngComm","2008","10","9","1154","","10.1039/b801571f","powder diffraction","neutron","","Neutron","","","","","","","","","","1.287","","","","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201975","8.32162","0.0006","8.62427","0.00043","5.47386","0.00041","90","","90","","90","","392.85","0.05","298","","298","","4270000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-serine-d7","L-serine-d7","","- C3 D7 N O3 -","- C3 D7 N O3 -","- C12 D28 N4 O12 -","4","1","","Wood, Peter A.; Francis, Duncan; Marshall, William G.; Moggach, Stephen A.; Parsons, Simon; Pidcock, Elna; Rohl, Andrew L.","A study of the high-pressure polymorphs of L-serine using ab initio structures and PIXEL calculations","CrystEngComm","2008","10","9","1154","","10.1039/b801571f","powder diffraction","neutron","","Neutron","","","","","","","","","","1.424","","","","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201976","8.30986","0.00053","8.59508","0.00039","5.46585","0.00036","90","","90","","90","","390.39","0.04","298","","298","","4514000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-serine-d7","L-serine-d7","","- C3 D7 N O3 -","- C3 D7 N O3 -","- C12 D28 N4 O12 -","4","1","","Wood, Peter A.; Francis, Duncan; Marshall, William G.; Moggach, Stephen A.; Parsons, Simon; Pidcock, Elna; Rohl, Andrew L.","A study of the high-pressure polymorphs of L-serine using ab initio structures and PIXEL calculations","CrystEngComm","2008","10","9","1154","","10.1039/b801571f","powder diffraction","neutron","","Neutron","","","","","","","","","","1.34","","","","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201977","6.87","0.00033","9.63731","0.00056","5.60664","0.0003","90","","90","","90","","371.21","0.03","298","","298","","5199000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-serine-d7","L-serine-d7","","- C3 D7 N O3 -","- C3 D7 N O3 -","- C12 D28 N4 O12 -","4","1","","Wood, Peter A.; Francis, Duncan; Marshall, William G.; Moggach, Stephen A.; Parsons, Simon; Pidcock, Elna; Rohl, Andrew L.","A study of the high-pressure polymorphs of L-serine using ab initio structures and PIXEL calculations","CrystEngComm","2008","10","9","1154","","10.1039/b801571f","powder diffraction","neutron","","Neutron","","","","","","","","","","1.658","","","","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201978","6.81067","0.00043","9.62266","0.00069","5.59344","0.00031","90","","90","","90","","366.58","0.04","298","","298","","5700000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-serine-d7","L-serine-d7","","- C3 D7 N O3 -","- C3 D7 N O3 -","- C12 D28 N4 O12 -","4","1","","Wood, Peter A.; Francis, Duncan; Marshall, William G.; Moggach, Stephen A.; Parsons, Simon; Pidcock, Elna; Rohl, Andrew L.","A study of the high-pressure polymorphs of L-serine using ab initio structures and PIXEL calculations","CrystEngComm","2008","10","9","1154","","10.1039/b801571f","powder diffraction","neutron","","Neutron","","","","","","","","","","1.606","","","","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201979","6.76267","0.00042","9.60731","0.0007","5.58248","0.00037","90","","90","","90","","362.7","0.04","298","","298","","6280000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-serine-d7","L-serine-d7","","- C3 D7 N O3 -","- C3 D7 N O3 -","- C12 D28 N4 O12 -","4","1","","Wood, Peter A.; Francis, Duncan; Marshall, William G.; Moggach, Stephen A.; Parsons, Simon; Pidcock, Elna; Rohl, Andrew L.","A study of the high-pressure polymorphs of L-serine using ab initio structures and PIXEL calculations","CrystEngComm","2008","10","9","1154","","10.1039/b801571f","powder diffraction","neutron","","Neutron","","","","","","","","","","1.36","","","","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201980","6.68687","0.00032","9.58023","0.00058","5.56241","0.00031","90","","90","","90","","356.34","0.03","298","","298","","7243000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-serine-d7","L-serine-d7","","- C3 D7 N O3 -","- C3 D7 N O3 -","- C12 D28 N4 O12 -","4","1","","Wood, Peter A.; Francis, Duncan; Marshall, William G.; Moggach, Stephen A.; Parsons, Simon; Pidcock, Elna; Rohl, Andrew L.","A study of the high-pressure polymorphs of L-serine using ab initio structures and PIXEL calculations","CrystEngComm","2008","10","9","1154","","10.1039/b801571f","powder diffraction","neutron","","Neutron","","","","","","","","","","1.563","","","","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201981","6.54874","0.00033","9.53864","0.00054","5.60779","0.00032","90","","90","","90","","350.3","0.03","298","","298","","8162000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-serine-d7","L-serine-d7","","- C3 D7 N O3 -","- C3 D7 N O3 -","- C12 D28 N4 O12 -","4","1","","Wood, Peter A.; Francis, Duncan; Marshall, William G.; Moggach, Stephen A.; Parsons, Simon; Pidcock, Elna; Rohl, Andrew L.","A study of the high-pressure polymorphs of L-serine using ab initio structures and PIXEL calculations","CrystEngComm","2008","10","9","1154","","10.1039/b801571f","powder diffraction","neutron","","Neutron","","","","","","","","","","1.313","","","","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201982","14.728","0.002","6.997","0.0011","16.148","0.003","90","","117.074","0.002","90","","1481.7","0.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","cafsaa","caffeine salicylic acid cocrystal","","- C15 H16 N4 O5 -","- C15 H16 N4 O5 -","- C60 H64 N16 O20 -","4","1","","Lu, Enxian; Rodríguez-Hornedo, Naír; Suryanarayanan, Raj","A rapid thermal method for cocrystal screening","CrystEngComm","2008","10","6","665","","10.1039/b801713c","","","0.71073","MoKα","","0.0679","0.0458","","","0.1107","0.1268","","","","","","1.021","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201983","17.206","0.004","4.9926","0.0011","18.27","0.004","90","","117.44","0.003","90","","1392.9","0.5","173","2","173","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","cbzmaa","","","- C33 H27 N4 O6 -","- C33 H27 N4 O6 -","- C66 H54 N8 O12 -","2","0.5","","Lu, Enxian; Rodríguez-Hornedo, Naír; Suryanarayanan, Raj","A rapid thermal method for cocrystal screening","CrystEngComm","2008","10","6","665","","10.1039/b801713c","","","0.71073","MoKα","","0.0656","0.0457","","","0.1042","0.1112","","","","","","1.051","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201984","17.536","0.002","5.1229","0.0007","18.308","0.002","90","","118.505","0.002","90","","1445.3","0.3","173","2","173","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","cbzsua","","","- C17 H15 N2 O3 -","- C17 H15 N2 O3 -","- C68 H60 N8 O12 -","4","1","","Lu, Enxian; Rodríguez-Hornedo, Naír; Suryanarayanan, Raj","A rapid thermal method for cocrystal screening","CrystEngComm","2008","10","6","665","","10.1039/b801713c","","","0.71073","MoKα","","0.047","0.0342","","","0.0821","0.088","","","","","","1.009","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201985","10.5106","0.0013","16.035","0.002","25.247","0.003","90","","90","","90","","4255.1","0.9","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","sfzsac","","","- C19 H19 N5 O5 S2 -","- C19 H19 N5 O5 S2 -","- C152 H152 N40 O40 S16 -","8","1","","Lu, Enxian; Rodríguez-Hornedo, Naír; Suryanarayanan, Raj","A rapid thermal method for cocrystal screening","CrystEngComm","2008","10","6","665","","10.1039/b801713c","","","0.71073","MoKα","","0.0655","0.0449","","","0.1076","0.1159","","","","","","1.069","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201986","8.7638","0.0011","8.7638","0.0011","11.548","0.0014","71.823","0.002","75.951","0.002","64.113","0.002","752.2","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","tplsac","","","- C14 H13 N5 O5 S -","- C14 H13 N5 O5 S -","- C28 H26 N10 O10 S2 -","2","1","","Lu, Enxian; Rodríguez-Hornedo, Naír; Suryanarayanan, Raj","A rapid thermal method for cocrystal screening","CrystEngComm","2008","10","6","665","","10.1039/b801713c","","","0.71073","MoKα","","0.051","0.0419","","","0.1135","0.1187","","","","","","1.094","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201987","11.5976","0.0002","20.8919","0.0002","12.3538","0.0001","90","","107.613","0.001","90","","2852.96","0.06","173","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H28 Ca Cu2 O25 S2 -","- C16 H28 Ca Cu2 O25 S2 -","- C64 H112 Ca4 Cu8 O100 S8 -","4","1","","Cao, Rong; Lü, Jian; Batten, Stuart R.","Copper 5-sulfoisophthalato quasi-planar squares in coordination polymers modulated by alkaline-earth metals: a way to molecular squares?","CrystEngComm","2008","10","6","784","","10.1039/b801887a","","","0.71073","MoKα","","0.0551","0.042","","","0.0947","0.1013","","","","","","1.113","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201988","7.1599","0.0001","19.4285","0.0002","21.3245","0.0003","90","","98.42","","90","","2934.39","0.07","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H28 Cu2 O25 S2 Sr -","- C16 H6 Cu2 O25 S1.956 Sr -","- C64 H24 Cu8 O100 S7.824 Sr4 -","4","1","","Cao, Rong; Lü, Jian; Batten, Stuart R.","Copper 5-sulfoisophthalato quasi-planar squares in coordination polymers modulated by alkaline-earth metals: a way to molecular squares?","CrystEngComm","2008","10","6","784","","10.1039/b801887a","","","0.71073","MoKα","","0.1202","0.0849","","","0.179","0.2012","","","","","","1.073","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201989","26.6964","0.0005","8.989","0.0002","15.7756","0.0003","90","","105.338","0.001","90","","3650.89","0.13","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C45 H54 N2 -","- C45 H54 N2 -","- C180 H216 N8 -","4","0.5","","Xin, Qian; Tao, Xu-Tang; Liu, Hui-Jun; Ren, Yan; Jiang, Min-Hua","Synthesis, structure and packing properties of three Tröger's base analogues containing substituted fluorene units","CrystEngComm","2008","10","9","1204","","10.1039/b801899e","","","0.71073","MoKα","","0.0706","0.0498","","","0.1388","0.1557","","","","","","1.047","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201990","23.6556","0.0003","13.9795","0.0002","24.5246","0.0003","90","","94.197","0.001","90","","8088.38","0.18","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C45 H51 Br2 N2 -","- C45 H51 Br2 N2 -","- C360 H408 Br16 N16 -","8","1","","Xin, Qian; Tao, Xu-Tang; Liu, Hui-Jun; Ren, Yan; Jiang, Min-Hua","Synthesis, structure and packing properties of three Tröger's base analogues containing substituted fluorene units","CrystEngComm","2008","10","9","1204","","10.1039/b801899e","","","0.71073","MoKα","","0.0957","0.0496","","","0.1221","0.1425","","","","","","1.028","","","","has coordinates,has disorder","180350","2020-10-21","18:00:00",""
"7201991","20.3845","0.0008","9.8302","0.0004","11.5556","0.0005","90","","98.977","0.001","90","","2287.19","0.16","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H20 Br2 N2 -","- C29 H20 Br2 N2 -","- C116 H80 Br8 N8 -","4","1","","Xin, Qian; Tao, Xu-Tang; Liu, Hui-Jun; Ren, Yan; Jiang, Min-Hua","Synthesis, structure and packing properties of three Tröger's base analogues containing substituted fluorene units","CrystEngComm","2008","10","9","1204","","10.1039/b801899e","","","0.71073","MoKα","","0.1035","0.0494","","","0.1027","0.1198","","","","","","0.997","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201992","6.9628","0.0003","11.001","0.0003","11.5319","0.0005","79.856","0.001","73.862","0.002","76.865","0.002","820.26","0.06","153","2","153","2","","","","","","","","5","P -1","-P 1","2","7","","","- C14 H13 La N2 O12 -","- C14 H13 La N2 O12 -","- C28 H26 La2 N4 O24 -","2","1","","Kelly, Niamh R.; Goetz, Sandrine; Batten, Stuart R.; Kruger, Paul E.","Synthesis and structural characterisation of lanthanide coordination polymers featuring 4,4′,6,6′-tetra-carboxy-2,2′-bipyridine and rare network topology","CrystEngComm","2008","10","8","1018","","10.1039/b801985a","","","0.71073","MoKα","","0.0241","0.0228","","","0.0606","0.0612","","","","","","1.059","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201993","7.2471","0.0005","9.9563","0.0006","11.0922","0.0007","71.432","0.001","75.006","0.001","78.665","0.001","727.14","0.08","153","2","153","2","","","","","","","","5","P -1","-P 1","2","8","","","- C14 H9 La N2 O10 -","- C14 H9 La N2 O10 -","- C28 H18 La2 N4 O20 -","2","1","","Kelly, Niamh R.; Goetz, Sandrine; Batten, Stuart R.; Kruger, Paul E.","Synthesis and structural characterisation of lanthanide coordination polymers featuring 4,4′,6,6′-tetra-carboxy-2,2′-bipyridine and rare network topology","CrystEngComm","2008","10","8","1018","","10.1039/b801985a","","","0.71073","MoKα","","0.0331","0.031","","","0.0718","0.0728","","","","","","1.166","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201994","21.9566","0.001","6.6188","0.0003","11.3669","0.0005","90","","90","","90","","1651.91","0.13","153","2","153","2","","","","","","","","5","P n m a","-P 2ac 2n","62","9","","","- C14 H10 Eu N2 O12.5 -","- C14 H5 Eu N2 O12 -","- C56 H20 Eu4 N8 O48 -","4","0.5","","Kelly, Niamh R.; Goetz, Sandrine; Batten, Stuart R.; Kruger, Paul E.","Synthesis and structural characterisation of lanthanide coordination polymers featuring 4,4′,6,6′-tetra-carboxy-2,2′-bipyridine and rare network topology","CrystEngComm","2008","10","8","1018","","10.1039/b801985a","","","0.71073","MoKα","","0.0624","0.0619","","","0.1542","0.1544","","","","","","1.423","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201995","8.2797","0.0004","16.7532","0.0009","12.7089","0.0006","90","","97.578","0.001","90","","1747.47","0.15","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","11","","","- C16 H14 Eu N3 O9 -","- C16 H14 Eu N3 O9 -","- C64 H56 Eu4 N12 O36 -","4","1","","Kelly, Niamh R.; Goetz, Sandrine; Batten, Stuart R.; Kruger, Paul E.","Synthesis and structural characterisation of lanthanide coordination polymers featuring 4,4′,6,6′-tetra-carboxy-2,2′-bipyridine and rare network topology","CrystEngComm","2008","10","8","1018","","10.1039/b801985a","","","0.71073","MoKα","","0.0172","0.0164","","","0.04","0.0404","","","","","","1.103","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201996","21.9198","0.001","6.604","0.0003","11.3592","0.0005","90","","90","","90","","1644.34","0.13","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","10","","","- C14 H11 Gd N2 O13 -","- C14 H4 Gd N2 O13 -","- C56 H16 Gd4 N8 O52 -","4","0.5","","Kelly, Niamh R.; Goetz, Sandrine; Batten, Stuart R.; Kruger, Paul E.","Synthesis and structural characterisation of lanthanide coordination polymers featuring 4,4′,6,6′-tetra-carboxy-2,2′-bipyridine and rare network topology","CrystEngComm","2008","10","8","1018","","10.1039/b801985a","","","0.71073","MoKα","","0.0651","0.065","","","0.1657","0.1657","","","","","","1.367","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201999","7.9913","0.0011","8.256","0.0012","11.3311","0.0016","85.809","0.002","79.323","0.002","76.193","0.002","713.09","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H26 Cd Cl2 N6 O12 -","- C22 H26 Cd Cl2 N6 O12 -","- C22 H26 Cd Cl2 N6 O12 -","1","0.5","","Liu, Na; Wang, Yan-Qin; Gao, En-Qing; Chen, Zhen-Xia; Weng, Lin-Hong","Supramolecular architectures based on transition metal complexes with 1-(3-pyridyl)-2-(4′-pyrimidyl)ethene","CrystEngComm","2008","10","7","915","","10.1039/b802044b","","","0.71073","MoKα","","0.028","0.0254","","","0.0623","0.064","","","","","","1.047","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7202000","8.0588","0.0011","14.1614","0.0019","14.2226","0.0018","103.129","0.003","93.499","0.002","104.069","0.003","1521.6","0.4","273","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H28 Cl2 Mn N6 O13 -","- C22 H28 Cl2 Mn N6 O13 -","- C44 H56 Cl4 Mn2 N12 O26 -","2","1","","Liu, Na; Wang, Yan-Qin; Gao, En-Qing; Chen, Zhen-Xia; Weng, Lin-Hong","Supramolecular architectures based on transition metal complexes with 1-(3-pyridyl)-2-(4′-pyrimidyl)ethene","CrystEngComm","2008","10","7","915","","10.1039/b802044b","","","0.71073","MoKα","","0.106","0.0617","","","0.1469","0.1648","","","","","","1.049","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202001","7.9676","0.001","13.98","0.0014","14.1474","0.0016","102.63","0.002","94.638","0.001","103.165","0.002","1483.1","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H28 Cl2 Co N6 O13 -","- C22 H28 Cl2 Co N6 O13 -","- C44 H56 Cl4 Co2 N12 O26 -","2","1","","Liu, Na; Wang, Yan-Qin; Gao, En-Qing; Chen, Zhen-Xia; Weng, Lin-Hong","Supramolecular architectures based on transition metal complexes with 1-(3-pyridyl)-2-(4′-pyrimidyl)ethene","CrystEngComm","2008","10","7","915","","10.1039/b802044b","","","0.71073","MoKα","","0.1447","0.063","","","0.1219","0.1367","","","","","","0.893","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202002","7.9455","0.0006","13.9534","0.0011","14.0967","0.0011","102.465","0.002","94.739","0.002","102.729","0.002","1474.5","0.2","273","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H28 Cl2 N6 Ni O13 -","- C22 H28 Cl2 N6 Ni O13 -","- C44 H56 Cl4 N12 Ni2 O26 -","2","1","","Liu, Na; Wang, Yan-Qin; Gao, En-Qing; Chen, Zhen-Xia; Weng, Lin-Hong","Supramolecular architectures based on transition metal complexes with 1-(3-pyridyl)-2-(4′-pyrimidyl)ethene","CrystEngComm","2008","10","7","915","","10.1039/b802044b","","","0.71073","MoKα","","0.1176","0.0608","","","0.1545","0.1799","","","","","","1.078","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202003","7.9922","0.0008","14.0221","0.0013","14.1085","0.0014","102.51","0.001","94.572","0.001","103.034","0.001","1490","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H28 Cl2 N6 O13 Zn -","- C22 H28 Cl2 N6 O13 Zn -","- C44 H56 Cl4 N12 O26 Zn2 -","2","1","","Liu, Na; Wang, Yan-Qin; Gao, En-Qing; Chen, Zhen-Xia; Weng, Lin-Hong","Supramolecular architectures based on transition metal complexes with 1-(3-pyridyl)-2-(4′-pyrimidyl)ethene","CrystEngComm","2008","10","7","915","","10.1039/b802044b","","","0.71073","MoKα","","0.0674","0.0577","","","0.169","0.1794","","","","","","0.997","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202004","9.778","0.004","12.825","0.006","10.618","0.005","90","","95.422","0.007","90","","1325.6","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 Cu N8 O10 -","- C22 H26 Cu N8 O10 -","- C44 H52 Cu2 N16 O20 -","2","0.5","","Liu, Na; Wang, Yan-Qin; Gao, En-Qing; Chen, Zhen-Xia; Weng, Lin-Hong","Supramolecular architectures based on transition metal complexes with 1-(3-pyridyl)-2-(4′-pyrimidyl)ethene","CrystEngComm","2008","10","7","915","","10.1039/b802044b","","","0.71073","MoKα","","0.1034","0.0575","","","0.1356","0.15","","","","","","0.992","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202005","23.348","0.002","7.2939","0.0007","22.706","0.002","90","","98.543","0.001","90","","3823.9","0.6","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C11 H23 Cu N3 O11 S -","- C11 H23 Cu N3 O11 S -","- C88 H184 Cu8 N24 O88 S8 -","8","1","","Liu, Na; Wang, Yan-Qin; Gao, En-Qing; Chen, Zhen-Xia; Weng, Lin-Hong","Supramolecular architectures based on transition metal complexes with 1-(3-pyridyl)-2-(4′-pyrimidyl)ethene","CrystEngComm","2008","10","7","915","","10.1039/b802044b","","","0.71073","MoKα","","0.0372","0.0315","","","0.083","0.0863","","","","","","1.056","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202006","11.2168","0.001","11.2168","0.001","19.176","0.004","90","","90","","120","","2089.4","0.5","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C14 H15 In3 N4 O20 -","- C14 H9 In3 N4 O20 -","- C42 H27 In9 N12 O60 -","3","0.5","","Han, Zheng-Bo; He, Yong-Ke; Tong, Ming-Liang; Song, Yong-Juan; Song, Xi-Ming; Yang, Li-Guo","Spontaneously resolved 3D homochiral In(III) coordination polymer with extended In-OH-In helical chains","CrystEngComm","2008","10","8","1070","","10.1039/b802226g","","","0.71073","MoKα","","0.0369","0.0352","","","0.0957","0.097","","","","","","1.131","","","","has coordinates,has disorder","180351","2020-10-21","18:00:00",""
"7202007","5.422","0.0003","6.2926","0.0004","14.5732","0.001","90","","98.472","0.004","90","","491.79","0.05","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C6 H6 N2 O8 U -","- C6 H6 N2 O8 U -","- C12 H12 N4 O16 U2 -","2","1","","Masci, Bernardo; Thuéry, Pierre","Hydrothermal synthesis of uranyl‒organic frameworks with pyrazine-2,3-dicarboxylate linkers","CrystEngComm","2008","10","8","1082","","10.1039/b802378f","","","0.71073","MoKα","","0.0154","0.0151","","","0.0378","0.038","","","","","","1.065","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202008","9.2125","0.0006","11.6265","0.0005","9.8446","0.0007","90","","102.397","0.003","90","","1029.86","0.11","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C6 H4 N2 O7 U -","- C6 H4 N2 O7 U -","- C24 H16 N8 O28 U4 -","4","1","","Masci, Bernardo; Thuéry, Pierre","Hydrothermal synthesis of uranyl‒organic frameworks with pyrazine-2,3-dicarboxylate linkers","CrystEngComm","2008","10","8","1082","","10.1039/b802378f","","","0.71073","MoKα","","0.0194","0.0185","","","0.0439","0.0442","","","","","","1.058","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202009","7.8884","0.0005","30.599","0.002","8.254","0.0004","90","","90.07","0.004","90","","1992.3","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H7 Cs N4 O14 U2 -","- C12 H7 Cs N4 O14 U2 -","- C48 H28 Cs4 N16 O56 U8 -","4","1","","Masci, Bernardo; Thuéry, Pierre","Hydrothermal synthesis of uranyl‒organic frameworks with pyrazine-2,3-dicarboxylate linkers","CrystEngComm","2008","10","8","1082","","10.1039/b802378f","","","0.71073","MoKα","","0.0357","0.0257","","","0.0533","0.0552","","","","","","1.029","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202010","14.2991","0.001","19.2999","0.0015","18.795","0.00119","90","","91.0374","0.0035","90","","5186","0.6","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H104 Cu2 I10 O27 S16 Y6 -","- C32 H104 Cu2 I10 O27 S16 Y6 -","- C64 H208 Cu4 I20 O54 S32 Y12 -","2","0.5","","Mishra, Shashank; Jeanneau, Erwann; Daniele, Stéphane; Hubert-Pfalzgraf, Liliane G.","Rare example of a polynuclear heterometallic yttrium(III)‒copper(I) iodide cluster with a [Y6(μ6-O)(μ3-OH)8]8+ core structure showing single crystal-to-single crystal transformation","CrystEngComm","2008","10","7","814","","10.1039/b802434k","","","0.71069","MoKα","","0.1456","0.0885","","0.1139","0.0901","0.0864","","","","","","1.2006","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202011","23.9338","0.0004","18.2415","0.0004","23.8604","0.0004","90","","110.442","0.0011","90","","9761.2","0.3","150","","150","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H100 Cu2 I12 O27 S14 Y6 -","- C28 H100 Cu2 I12 O27 S14 Y6 -","- C112 H400 Cu8 I48 O108 S56 Y24 -","4","0.5","","Mishra, Shashank; Jeanneau, Erwann; Daniele, Stéphane; Hubert-Pfalzgraf, Liliane G.","Rare example of a polynuclear heterometallic yttrium(III)‒copper(I) iodide cluster with a [Y6(μ6-O)(μ3-OH)8]8+ core structure showing single crystal-to-single crystal transformation","CrystEngComm","2008","10","7","814","","10.1039/b802434k","","","0.71069","MoKα","","0.1043","0.056","","0.1005","0.0663","0.061","","","","","","1.0864","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202012","28.553","0.002","8.2201","0.0006","16.7163","0.0013","90","","100.746","0.003","90","","3854.7","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C84 H71 B4 Br3 Cu F16 N12 -","- C84 H70 B4 Br2.916 Cu F16 N12 -","- C168 H140 B8 Br5.832 Cu2 F32 N24 -","2","0.5","","Song, Yu-Fei; Kitson, Phil J.; Long, De-Liang; Parenty, Alexis D. C.; Thatcher, Robert J.; Cronin, Leroy","Supramolecular self-assembly and anion-dependence of copper(II) complexes with cationic dihydro-imidazo phenanthridinium (DIP)-containing ligands","CrystEngComm","2008","10","9","1243","","10.1039/b802541j","","","0.71073","MoKα","","0.0805","0.059","","","0.1068","0.1137","","","","","","1.145","","","","has coordinates,has disorder","180351","2020-10-21","18:00:00",""
"7202013","8.8546","0.0005","11.6779","0.0007","12.066","0.0007","63.335","0.003","76.612","0.003","78.007","0.003","1076.9","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H18 Br2 Cu N4 O3 -","- C21 H18 Br2 Cu N4 O3 -","- C42 H36 Br4 Cu2 N8 O6 -","2","1","","Song, Yu-Fei; Kitson, Phil J.; Long, De-Liang; Parenty, Alexis D. C.; Thatcher, Robert J.; Cronin, Leroy","Supramolecular self-assembly and anion-dependence of copper(II) complexes with cationic dihydro-imidazo phenanthridinium (DIP)-containing ligands","CrystEngComm","2008","10","9","1243","","10.1039/b802541j","","","0.71073","MoKα","","0.0581","0.0425","","","0.0975","0.1056","","","","","","1.018","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202014","11.867","0.004","13.477","0.005","14.98","0.005","106.773","0.008","104.342","0.008","100.37","0.008","2139.1","1.3","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 Br3 Cu N3 -","- C21 H18 Br3 Cu N3 -","- C84 H72 Br12 Cu4 N12 -","4","2","","Song, Yu-Fei; Kitson, Phil J.; Long, De-Liang; Parenty, Alexis D. C.; Thatcher, Robert J.; Cronin, Leroy","Supramolecular self-assembly and anion-dependence of copper(II) complexes with cationic dihydro-imidazo phenanthridinium (DIP)-containing ligands","CrystEngComm","2008","10","9","1243","","10.1039/b802541j","","","0.71073","MoKα","","0.1098","0.081","","","0.2231","0.2489","","","","","","1.054","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202015","31.917","0.002","8.5868","0.0005","15.9626","0.001","90","","107.844","0.002","90","","4164.3","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H36 Cu2 N24 -","- C42 H36 Cu2 N24 -","- C168 H144 Cu8 N96 -","4","0.5","","Song, Yu-Fei; Kitson, Phil J.; Long, De-Liang; Parenty, Alexis D. C.; Thatcher, Robert J.; Cronin, Leroy","Supramolecular self-assembly and anion-dependence of copper(II) complexes with cationic dihydro-imidazo phenanthridinium (DIP)-containing ligands","CrystEngComm","2008","10","9","1243","","10.1039/b802541j","","","0.71073","MoKα","","0.0611","0.0381","","","0.0782","0.0885","","","","","","1.034","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202016","9.2344","0.0007","11.524","0.0009","12.4542","0.0009","65.526","0.003","88.615","0.003","80.281","0.003","1187.4","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H46 Cu2 N10 O3 S4 -","- C49 H42 Cu2 N10 O3 S4 -","- C49 H42 Cu2 N10 O3 S4 -","1","0.5","","Song, Yu-Fei; Kitson, Phil J.; Long, De-Liang; Parenty, Alexis D. C.; Thatcher, Robert J.; Cronin, Leroy","Supramolecular self-assembly and anion-dependence of copper(II) complexes with cationic dihydro-imidazo phenanthridinium (DIP)-containing ligands","CrystEngComm","2008","10","9","1243","","10.1039/b802541j","","","0.71073","MoKα","","0.072","0.0455","","","0.1056","0.121","","","","","","1.03","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202017","13.1236","0.0006","22.2503","0.0011","13.7765","0.001","90","","101.917","0.002","90","","3936.1","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H38 Br4 Cu N6 O -","- C42 H36 Br4 Cu N6 O -","- C168 H144 Br16 Cu4 N24 O4 -","4","0.5","","Song, Yu-Fei; Kitson, Phil J.; Long, De-Liang; Parenty, Alexis D. C.; Thatcher, Robert J.; Cronin, Leroy","Supramolecular self-assembly and anion-dependence of copper(II) complexes with cationic dihydro-imidazo phenanthridinium (DIP)-containing ligands","CrystEngComm","2008","10","9","1243","","10.1039/b802541j","","","0.71073","MoKα","","0.0776","0.0553","","","0.1384","0.1513","","","","","","1.056","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202018","10.3685","0.0007","18.5863","0.0011","18.5508","0.0011","90","","104.445","0.003","90","","3461.9","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C45 H38 B N3 -","- C45 H38 B N3 -","- C180 H152 B4 N12 -","4","1","","Song, Yu-Fei; Kitson, Phil J.; Long, De-Liang; Parenty, Alexis D. C.; Thatcher, Robert J.; Cronin, Leroy","Supramolecular self-assembly and anion-dependence of copper(II) complexes with cationic dihydro-imidazo phenanthridinium (DIP)-containing ligands","CrystEngComm","2008","10","9","1243","","10.1039/b802541j","","","0.71073","MoKα","","0.0794","0.0466","","","0.1128","0.1334","","","","","","1.029","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202019","12.103","0.0011","14.4837","0.0013","17.5418","0.0016","97.174","0.002","103.171","0.002","108.388","0.002","2776.1","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C55 H61 Cl3 N12 -","- C55 H61 Cl3 N12 -","- C110 H122 Cl6 N24 -","2","1","","Yin, Zhenming; Wang, Wuyan; Guo, Jianhua; Wang, Jiachun; He, Jiaqi; Cheng, Jin-Pei","Quadruple hydrogen bonded self-assemblies of 5,5′-bisdiazo-dipyrromethane","CrystEngComm","2008","10","8","957","","10.1039/b802599a","","","0.71073","MoKα","","0.106","0.0611","","","0.1564","0.1902","","","","","","1.014","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202020","18.264","0.005","20.537","0.005","24.233","0.006","90","","90","","90","","9090","4","113","2","113","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C25 H26 N6 -","- C25 H26 N6 -","- C400 H416 N96 -","16","2","","Yin, Zhenming; Wang, Wuyan; Guo, Jianhua; Wang, Jiachun; He, Jiaqi; Cheng, Jin-Pei","Quadruple hydrogen bonded self-assemblies of 5,5′-bisdiazo-dipyrromethane","CrystEngComm","2008","10","8","957","","10.1039/b802599a","","","0.7107","MoKα","","0.0731","0.0651","","","0.1321","0.1363","","","","","","1.062","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202022","15.3782","0.0019","16.46","0.002","20.12","0.003","90","","90","","90","","5092.9","1.2","150","2","150","2","","","","","","","","7","I m m m","-I 2 2","71","","","","- C28 H48 Cu4 N24 O50 P W12 -","- C28 H16 Cu4 N24 O50 P W12 -","- C56 H32 Cu8 N48 O100 P2 W24 -","2","0.125","","Lan, Ya-Qian; Li, Shun-Li; Li, Yang-Guang; Su, Zhong-Min; Shao, Kui-Zhan; Wang, Xin-Long","A novel (4,8)-connected 3D polyoxometalate-based metal‒organic framework containing an in situ ligand","CrystEngComm","2008","10","9","1129","","10.1039/b802627k","","","0.71073","MoKα","","0.0779","0.0589","","","0.1687","0.1821","","","","","","1.066","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202023","14.501","0.003","15.205","0.004","16.228","0.004","80.506","0.003","89.984","0.003","75.23","0.003","3409.2","1.4","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C64 H84 Cu4 F8 Mo24 N26 O88 P2 -","- C64 H80 Cu4 F8 Mo24 N26 O88 P2 -","- C64 H80 Cu4 F8 Mo24 N26 O88 P2 -","1","0.5","","Lan, Ya-Qian; Li, Shun-Li; Li, Yang-Guang; Su, Zhong-Min; Shao, Kui-Zhan; Wang, Xin-Long","A novel (4,8)-connected 3D polyoxometalate-based metal‒organic framework containing an in situ ligand","CrystEngComm","2008","10","9","1129","","10.1039/b802627k","","","0.71069","MoKα","","0.0833","0.0643","","","0.1694","0.1888","","","","","","1.029","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202024","26.2714","0.0006","7.4956","0.0001","17.4303","0.0004","90","","116.97","0.001","90","","3059.08","0.11","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C6 H17 Cl2 Mg N O9 P2 -","- C6 H17 Cl2 Mg N O9 P2 -","- C48 H136 Cl16 Mg8 N8 O72 P16 -","8","1","","Jokiniemi, Jonna; Peräniemi, Sirpa; Vepsäläinen, Jouko J.; Ahlgrén, Markku","A structural study of alkaline earth metal complexes of (dichloromethylene)bisphosphonic acid P-morpholinium- and P-pyrrolidinium-P′-methyl esters","CrystEngComm","2008","10","8","1011","","10.1039/b802668h","","","0.71073","MoKα","","0.0296","0.025","","","0.0612","0.0635","","","","","","1.044","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202025","8.6449","0.0002","6.1356","0.0001","28.8664","0.0005","90","","98.332","0.001","90","","1514.96","0.05","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C6 H15 Ba Cl2 N O8 P2 -","- C6 H15 Ba Cl2 N O8 P2 -","- C24 H60 Ba4 Cl8 N4 O32 P8 -","4","1","","Jokiniemi, Jonna; Peräniemi, Sirpa; Vepsäläinen, Jouko J.; Ahlgrén, Markku","A structural study of alkaline earth metal complexes of (dichloromethylene)bisphosphonic acid P-morpholinium- and P-pyrrolidinium-P′-methyl esters","CrystEngComm","2008","10","8","1011","","10.1039/b802668h","","","0.71073","MoKα","","0.0202","0.017","","","0.0377","0.0388","","","","","","1.048","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202026","22.1065","0.0008","9.2205","0.0004","28.5816","0.0008","90","","93.194","0.002","90","","5816.8","0.4","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H29 Cl4 N2 O13.5 P4 Sr2 -","- C12 H29 Cl4 N2 O13.5 P4 Sr2 -","- C96 H232 Cl32 N16 O108 P32 Sr16 -","8","1","","Jokiniemi, Jonna; Peräniemi, Sirpa; Vepsäläinen, Jouko J.; Ahlgrén, Markku","A structural study of alkaline earth metal complexes of (dichloromethylene)bisphosphonic acid P-morpholinium- and P-pyrrolidinium-P′-methyl esters","CrystEngComm","2008","10","8","1011","","10.1039/b802668h","","","0.71073","MoKα","","0.073","0.0475","","","0.0923","0.0995","","","","","","1.186","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202027","15.4913","0.0008","9.6377","0.0004","7.4509","0.0003","90","","102.594","0.002","90","","1085.66","0.08","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 Cu N4 O10 -","- C18 H26 Cu N4 O10 -","- C36 H52 Cu2 N8 O20 -","2","0.5","","Choudhury, Somnath Ray; Jana, Atish Dipankar; Chen, Chih-Yuan; Dutta, Amitava; Colacio, Enrique; Lee, Hon Man; Mostafa, Golam; Mukhopadhyay, Subrata","pH-triggered changes in the supramolecular self-assembly of Cu(II) malonate complexes","CrystEngComm","2008","10","10","1358","","10.1039/b802723d","","x-ray","0.71073","MoKα","","0.0255","0.0228","","","0.0659","0.0674","","","","","","1.064","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202033","14.615","0.008","7.051","0.004","22.65","0.01","90","","91.661","0.006","90","","2333","2","293","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H13 Co N O10 -","- C7 H2 Co N O10 -","- C56 H16 Co8 N8 O80 -","8","1","","Kondo, Mitsuru; Sugahara, Shinji; Nakamura, Yukie; Miyazawa, Makoto; Yasue, Sachie; Maeda, Kenji; Uchida, Fumio; Sakane, Genta; Kawaguchi, Hiroyuki","Self-assembling construction of a novel nanoscale heptacobalt complex with an S-shaped folding","CrystEngComm","2008","10","11","1516","","10.1039/b802854k","","","0.7107","MoKα","","","0.0564","","","","0.078","","","","","","1.839","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202034","12.189","0.004","15.347","0.005","19.466","0.006","79.15","0.01","74.8","0.01","80.59","0.01","3426.1","1.9","293.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C76 H102 Co7 N8 O58 -","- C76 H64 Co7 N8 O58 -","- C76 H64 Co7 N8 O58 -","1","0.5","","Kondo, Mitsuru; Sugahara, Shinji; Nakamura, Yukie; Miyazawa, Makoto; Yasue, Sachie; Maeda, Kenji; Uchida, Fumio; Sakane, Genta; Kawaguchi, Hiroyuki","Self-assembling construction of a novel nanoscale heptacobalt complex with an S-shaped folding","CrystEngComm","2008","10","11","1516","","10.1039/b802854k","","","0.7107","MoKα","","","0.099","","","","0.117","","","","","","1.839","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202035","18.2439","0.0002","14.5934","0.0002","8.428","0.0001","90","","90","","90","","2243.88","0.05","173","","173","","","","","","","","","7","P m m n :2","-P 2ab 2a","59","","","","- C40 H27 Ag2 F6 N19 O6 S2 -","- C40 H27 Ag2 F6 N19 O6 S2 -","- C80 H54 Ag4 F12 N38 O12 S4 -","2","0.25","","Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Reymann, Sébastien; Schaffner, Silvia","A new twist to 3,6-bis(2-pyridyl)-1,2,4,5-tetrazine complexes of silver(i)","CrystEngComm","2008","10","8","991","","10.1039/b803006e","","","0.71073","MoKα","","0.0996","0.0632","","0.101","0.0719","0.0719","","","","","","1.0738","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202036","13.668","0.003","7.3268","0.0015","20.232","0.004","90","","94.86","0.03","90","","2018.8","0.7","386","2","293","2","","","","","","","L6 and AgNO3 in Water/THF","5","P 1 21/n 1","-P 2yn","14","L6AgNO3.H2O","","","- C32 H40 Ag2 N6 O20 -","- C32 H40 Ag2 N6 O20 -","- C64 H80 Ag4 N12 O40 -","2","0.5","","Sague, Jorge L.; Meuwly, Markus; Fromm, Katharina M.","Counterion effect on the formation of coordination polymer networks between AgNO3 and L (2,2′-oxybis(ethane-2,1-diyl) diisonicotinate). Part 2","CrystEngComm","2008","10","11","1542","","10.1039/b803158d","","x-ray","0.71073","MoKα","","0.0618","0.0454","","","0.1027","0.1125","","","","","","1.078","","","","has coordinates,has disorder","180351","2020-10-21","18:00:00",""
"7202037","6.9203","0.0014","12.156","0.002","12.332","0.003","63.18","0.03","87.13","0.03","79.87","0.03","910.9","0.4","386","2","293","2","","","","","","","L6 and AgNO3 in THF/Water","5","P -1","-P 1","2","L6AgNO3","","","- C32 H32 Ag2 N6 O16 -","- C32 H32 Ag2 N6 O16 -","- C32 H32 Ag2 N6 O16 -","1","0.5","","Sague, Jorge L.; Meuwly, Markus; Fromm, Katharina M.","Counterion effect on the formation of coordination polymer networks between AgNO3 and L (2,2′-oxybis(ethane-2,1-diyl) diisonicotinate). Part 2","CrystEngComm","2008","10","11","1542","","10.1039/b803158d","","x-ray","0.71073","MoKα","","0.0423","0.0386","","","0.0953","0.0985","","","","","","1.066","","","","has coordinates,has disorder","180351","2020-10-21","18:00:00",""
"7202038","6.6811","0.0013","12.263","0.003","22.585","0.004","90","","94.74","0.03","90","","1844.1","0.7","386","2","293","2","","","","","","","L6 and AgNO3 in THF/Water","5","P 1 21/c 1","-P 2ybc","14","L6AgNO3","","","- C32 H32 Ag2 N6 O16 -","- C32 H32 Ag2 N6 O16 -","- C64 H64 Ag4 N12 O32 -","2","0.5","","Sague, Jorge L.; Meuwly, Markus; Fromm, Katharina M.","Counterion effect on the formation of coordination polymer networks between AgNO3 and L (2,2′-oxybis(ethane-2,1-diyl) diisonicotinate). Part 2","CrystEngComm","2008","10","11","1542","","10.1039/b803158d","","x-ray","0.71073","MoKα","","0.2719","0.1237","","","0.2162","0.2764","","","","","","1.032","","","","has coordinates,has disorder","180351","2020-10-21","18:00:00",""
"7202039","28.945","0.007","8.655","0.002","14.105","0.004","90","","116.326","0.004","90","","3167.1","1.4","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C22 H14 Eu O8 -","- C22 H14 Eu O8 -","- C88 H56 Eu4 O32 -","4","1","","Han, Yin-Feng; Zhou, Xin-Hui; Zheng, You-Xuan; Shen, Zhen; Song, You; You, Xiao-Zeng","Syntheses, structures, photoluminescence, and magnetic properties of nanoporous 3D lanthanide coordination polymers with 4,4′-biphenyldicarboxylate ligand","CrystEngComm","2008","10","9","1237","","10.1039/b803168a","","","0.71073","MoKα","","0.0755","0.0681","","","0.1828","0.1875","","","","","","1.115","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202040","29.007","0.006","8.6876","0.0017","14.166","0.003","90","","116.276","0.003","90","","3201","1.1","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C22 H14 O8 Sm -","- C22 H14 O8 Sm -","- C88 H56 O32 Sm4 -","4","1","","Han, Yin-Feng; Zhou, Xin-Hui; Zheng, You-Xuan; Shen, Zhen; Song, You; You, Xiao-Zeng","Syntheses, structures, photoluminescence, and magnetic properties of nanoporous 3D lanthanide coordination polymers with 4,4′-biphenyldicarboxylate ligand","CrystEngComm","2008","10","9","1237","","10.1039/b803168a","","","0.71073","MoKα","","0.0692","0.0684","","","0.1976","0.1986","","","","","","1.091","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202041","27.615","0.01","8.842","0.003","14.318","0.005","90","","114.311","0.004","90","","3186","1.9","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C22 H14 La O8 -","- C22 H14 La O8 -","- C88 H56 La4 O32 -","4","1","","Han, Yin-Feng; Zhou, Xin-Hui; Zheng, You-Xuan; Shen, Zhen; Song, You; You, Xiao-Zeng","Syntheses, structures, photoluminescence, and magnetic properties of nanoporous 3D lanthanide coordination polymers with 4,4′-biphenyldicarboxylate ligand","CrystEngComm","2008","10","9","1237","","10.1039/b803168a","","","0.71073","MoKα","","0.0696","0.0663","","","0.1919","0.1981","","","","","","1.119","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202042","28.912","0.008","8.789","0.002","14.257","0.004","90","","116.141","0.007","90","","3252.2","1.5","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C22 H14 Ce O8 -","- C22 H14 Ce O8 -","- C88 H56 Ce4 O32 -","4","1","","Han, Yin-Feng; Zhou, Xin-Hui; Zheng, You-Xuan; Shen, Zhen; Song, You; You, Xiao-Zeng","Syntheses, structures, photoluminescence, and magnetic properties of nanoporous 3D lanthanide coordination polymers with 4,4′-biphenyldicarboxylate ligand","CrystEngComm","2008","10","9","1237","","10.1039/b803168a","","","0.71073","MoKα","","0.0648","0.0629","","","0.1838","0.1855","","","","","","1.133","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202043","28.905","0.008","8.622","0.003","14.066","0.004","90","","116.395","0.005","90","","3140.1","1.7","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C22 H14 Gd O8 -","- C22 H14 Gd O8 -","- C88 H56 Gd4 O32 -","4","1","","Han, Yin-Feng; Zhou, Xin-Hui; Zheng, You-Xuan; Shen, Zhen; Song, You; You, Xiao-Zeng","Syntheses, structures, photoluminescence, and magnetic properties of nanoporous 3D lanthanide coordination polymers with 4,4′-biphenyldicarboxylate ligand","CrystEngComm","2008","10","9","1237","","10.1039/b803168a","","","0.71073","MoKα","","0.1077","0.0978","","","0.2416","0.2495","","","","","","1.053","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202044","28.769","0.012","8.723","0.003","14.179","0.006","90","","116.028","0.011","90","","3197","2","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C22 H14 Nd O8 -","- C22 H14 Nd O8 -","- C88 H56 Nd4 O32 -","4","1","","Han, Yin-Feng; Zhou, Xin-Hui; Zheng, You-Xuan; Shen, Zhen; Song, You; You, Xiao-Zeng","Syntheses, structures, photoluminescence, and magnetic properties of nanoporous 3D lanthanide coordination polymers with 4,4′-biphenyldicarboxylate ligand","CrystEngComm","2008","10","9","1237","","10.1039/b803168a","","","0.71073","MoKα","","0.0731","0.0676","","","0.1903","0.1935","","","","","","1.163","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202045","9.8988","0.0005","9.8988","0.0005","36.629","0.004","90","","90","","120","","3108.3","0.4","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C36 H36 B2 Cd F8 N12 -","- C36 H36 B2 Cd F8 N12 -","- C108 H108 B6 Cd3 F24 N36 -","3","0.166667","","Xu, Guan-Cheng; Ding, Yu-Jie; Okamura, Taka-aki; Huang, Yong-Qing; Liu, Guang-Xiang; Sun, Wei-Yin; Ueyama, Norikazu","Structure diversity and reversible anion exchange properties of cadmium(ii) complexes with 1,3,5-tris(imidazol-1-ylmethyl)benzene: counteranion-directed flexible ligand conformational variation","CrystEngComm","2008","10","8","1052","","10.1039/b803236j","","","0.71073","MoKα","","0.0488","0.0441","","","0.1013","0.1039","","","","","","1","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202046","22.183","0.007","14.357","0.004","17.947","0.004","90","","128.555","0.009","90","","4470","2","200","","200","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(Cd(tib)2)(NO3)2-2(EtOH)","[Cd(tib)2](NO3)2-2(EtOH)","","- C40 H48 Cd N14 O8 -","- C40 H46 Cd N14 O8 -","- C160 H184 Cd4 N56 O32 -","4","0.5","","Xu, Guan-Cheng; Ding, Yu-Jie; Okamura, Taka-aki; Huang, Yong-Qing; Liu, Guang-Xiang; Sun, Wei-Yin; Ueyama, Norikazu","Structure diversity and reversible anion exchange properties of cadmium(ii) complexes with 1,3,5-tris(imidazol-1-ylmethyl)benzene: counteranion-directed flexible ligand conformational variation","CrystEngComm","2008","10","8","1052","","10.1039/b803236j","","","0.71075","MoKα","","0.0599","0.0498","","","0.1232","0.1285","","","","","","1.056","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202047","14.294","0.002","17.334","0.003","22.245","0.002","90","","99.827","0.008","90","","5430.8","1.3","200","","200","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(Cd(tib)(OAc)2)-4.5(H2O)","[Cd(tib)(OAc)2]-4.5(H2O)","","- C22 H33 Cd N6 O8.5 -","- C22 H33 Cd N6 O8.5 -","- C176 H264 Cd8 N48 O68 -","8","1","","Xu, Guan-Cheng; Ding, Yu-Jie; Okamura, Taka-aki; Huang, Yong-Qing; Liu, Guang-Xiang; Sun, Wei-Yin; Ueyama, Norikazu","Structure diversity and reversible anion exchange properties of cadmium(ii) complexes with 1,3,5-tris(imidazol-1-ylmethyl)benzene: counteranion-directed flexible ligand conformational variation","CrystEngComm","2008","10","8","1052","","10.1039/b803236j","","","0.71075","MoKα","","0.0436","0.0316","","","0.0647","0.0692","","","","","","1.034","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202048","9.78","0.002","10.532","0.002","11.572","0.002","63.37","0.03","77.83","0.03","82.84","0.03","1040.9","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H21 Cd Cl2 N6 O -","- C19 H21 Cd Cl2 N6 O -","- C38 H42 Cd2 Cl4 N12 O2 -","2","1","","Xu, Guan-Cheng; Ding, Yu-Jie; Okamura, Taka-aki; Huang, Yong-Qing; Liu, Guang-Xiang; Sun, Wei-Yin; Ueyama, Norikazu","Structure diversity and reversible anion exchange properties of cadmium(ii) complexes with 1,3,5-tris(imidazol-1-ylmethyl)benzene: counteranion-directed flexible ligand conformational variation","CrystEngComm","2008","10","8","1052","","10.1039/b803236j","","","0.71073","MoKα","","0.0742","0.0536","","","0.0666","0.0705","","","","","","1.001","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202049","10.7409","0.0016","10.2112","0.0015","19.623","0.003","90","","103.429","0.003","90","","2093.4","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 Cd Cl2 N12 O6 -","- C36 H48 Cd Cl2 N12 O6 -","- C72 H96 Cd2 Cl4 N24 O12 -","2","0.5","","Xu, Guan-Cheng; Ding, Yu-Jie; Okamura, Taka-aki; Huang, Yong-Qing; Liu, Guang-Xiang; Sun, Wei-Yin; Ueyama, Norikazu","Structure diversity and reversible anion exchange properties of cadmium(ii) complexes with 1,3,5-tris(imidazol-1-ylmethyl)benzene: counteranion-directed flexible ligand conformational variation","CrystEngComm","2008","10","8","1052","","10.1039/b803236j","","","0.71073","MoKα","","0.0697","0.0545","","","0.1274","0.1371","","","","","","1","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202050","9.795","0.005","11.219","0.006","13.129","0.006","64.551","0.016","67.682","0.016","74.765","0.019","1196.6","1.1","200","","200","","","","","","","","","5","P -1","-P 1","2","(Cd(XG4)2)(Cd2I6)?","[Cd(XG4)2][Cd2I6]?","","- C36 H36 Cd3 I6 N12 -","- C36 H36 Cd3 I6 N12 -","- C36 H36 Cd3 I6 N12 -","1","0.5","","Xu, Guan-Cheng; Ding, Yu-Jie; Okamura, Taka-aki; Huang, Yong-Qing; Liu, Guang-Xiang; Sun, Wei-Yin; Ueyama, Norikazu","Structure diversity and reversible anion exchange properties of cadmium(ii) complexes with 1,3,5-tris(imidazol-1-ylmethyl)benzene: counteranion-directed flexible ligand conformational variation","CrystEngComm","2008","10","8","1052","","10.1039/b803236j","","","0.71075","MoKα","","0.0477","0.0397","","","0.0899","0.0938","","","","","","1.04","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202051","10.031","0.0002","10.031","0.0002","29.979","0.0006","90","","90","","90","","3016.52","0.1","120","2","120","2","","","","","","","Roberto Quesada","7","I 4/m","-I 4","87","","","","- C14.5 H33.25 Cl N8 O3 Pt S4 -","- C14.5 H32 Cl N8 O3 Pt S4 -","- C58 H128 Cl4 N32 O12 Pt4 S16 -","4","0.25","","Fisher, Matthew G.; Gale, Philip A.; Light, Mark E.; Quesada, Roberto","Hydrogen bonded networks in N‒alkyl substituted thiourea platinum (II) oxocarbodianion and carboxylate salts","CrystEngComm","2008","10","9","1180","","10.1039/b803260b","","","0.71069","MoKα","","0.0267","0.0239","","","0.0539","0.0548","","","","","","1.059","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202052","8.674","0.005","9.39","0.005","9.551","0.005","90.064","0.005","112.979","0.005","104.68","0.005","688.4","0.7","120","2","120","2","","","","","","","Roberto Quesada","6","P -1","-P 1","2","","","","- C18 H32 N8 O6 Pt S4 -","- C18 H32 N8 O6 Pt S4 -","- C18 H32 N8 O6 Pt S4 -","1","0.5","","Fisher, Matthew G.; Gale, Philip A.; Light, Mark E.; Quesada, Roberto","Hydrogen bonded networks in N‒alkyl substituted thiourea platinum (II) oxocarbodianion and carboxylate salts","CrystEngComm","2008","10","9","1180","","10.1039/b803260b","","","0.71073","MoKα","","0.0741","0.0659","","","0.1563","0.1634","","","","","","1.043","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202053","10.5428","0.0003","14.2305","0.0003","17.6424","0.0005","90","","90","","90","","2646.88","0.12","120","2","120","2","","","","","","","Roberto Quesada","6","P c c n","-P 2ab 2ac","56","","","","- C14 H24 N8 O6 Pt S4 -","- C14 H24 N8 O6 Pt S4 -","- C56 H96 N32 O24 Pt4 S16 -","4","0.5","","Fisher, Matthew G.; Gale, Philip A.; Light, Mark E.; Quesada, Roberto","Hydrogen bonded networks in N‒alkyl substituted thiourea platinum (II) oxocarbodianion and carboxylate salts","CrystEngComm","2008","10","9","1180","","10.1039/b803260b","","","0.71073","MoKα","","0.0725","0.0387","","","0.0797","0.0892","","","","","","1.025","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202054","8.69","0.0001","9.178","0.0002","9.543","0.0002","85.112","0.001","65.951","0.001","65.564","0.001","629.6","0.02","120","2","120","2","","","","","","","Roberto Quesada","6","P -1","-P 1","2","","","","- C16 H32 N8 O4 Pt S4 -","- C16 H32 N8 O4 Pt S4 -","- C16 H32 N8 O4 Pt S4 -","1","0.5","","Fisher, Matthew G.; Gale, Philip A.; Light, Mark E.; Quesada, Roberto","Hydrogen bonded networks in N‒alkyl substituted thiourea platinum (II) oxocarbodianion and carboxylate salts","CrystEngComm","2008","10","9","1180","","10.1039/b803260b","","","0.71073","MoKα","","0.0185","0.0185","","","0.0393","0.0394","","","","","","1.04","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202055","9.9248","0.0002","11.2125","0.0003","11.4504","0.0003","62.074","0.001","86.405","0.001","87.683","0.001","1123.54","0.05","120","2","120","2","","","","","","","Roberto Quesada","6","P -1","-P 1","2","","","","- C12 H24 N8 O4 Pt S4 -","- C12 H24 N8 O4 Pt S4 -","- C24 H48 N16 O8 Pt2 S8 -","2","1","","Fisher, Matthew G.; Gale, Philip A.; Light, Mark E.; Quesada, Roberto","Hydrogen bonded networks in N‒alkyl substituted thiourea platinum (II) oxocarbodianion and carboxylate salts","CrystEngComm","2008","10","9","1180","","10.1039/b803260b","","","0.71073","MoKα","","0.019","0.018","","","0.0425","0.0429","","","","","","1.023","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202056","9.079","0.0002","10.1629","0.0002","18.0682","0.0003","86.435","0.001","75.88","0.001","70.191","0.001","1520.71","0.05","120","2","120","2","","","","","","","Robeto Quesada","6","P -1","-P 1","2","","","","- C21 H32 N8 O9 Pt S4 -","- C21 H32 N8 O9 Pt S4 -","- C42 H64 N16 O18 Pt2 S8 -","2","1","","Fisher, Matthew G.; Gale, Philip A.; Light, Mark E.; Quesada, Roberto","Hydrogen bonded networks in N‒alkyl substituted thiourea platinum (II) oxocarbodianion and carboxylate salts","CrystEngComm","2008","10","9","1180","","10.1039/b803260b","","","0.71069","MoKα","","0.0341","0.0243","","","0.048","0.0507","","","","","","1.045","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202057","8.933","0.0002","9.1168","0.0002","10.3243","0.0003","73.117","0.001","89.962","0.001","74.79","0.001","773.79","0.03","120","2","120","2","","","","","","","Roberto Quesada","6","P -1","-P 1","2","","","","- C22 H32 N8 O10 Pt S4 -","- C22 H32 N8 O10 Pt S4 -","- C22 H32 N8 O10 Pt S4 -","1","0.5","","Fisher, Matthew G.; Gale, Philip A.; Light, Mark E.; Quesada, Roberto","Hydrogen bonded networks in N‒alkyl substituted thiourea platinum (II) oxocarbodianion and carboxylate salts","CrystEngComm","2008","10","9","1180","","10.1039/b803260b","","","0.71073","MoKα","","0.0197","0.0196","","","0.0413","0.0414","","","","","","1.05","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202058","13.882","0.005","8.601","0.005","11.59","0.005","90","","90","","90","","1383.8","1.1","120","2","120","2","","","","","","","Roberto Quesada","6","P n n m","-P 2 2n","58","","","","- C20 H24 N8 O4 Pt S4 -","- C20 H24 N8 O4 Pt S4 -","- C40 H48 N16 O8 Pt2 S8 -","2","0.25","","Fisher, Matthew G.; Gale, Philip A.; Light, Mark E.; Quesada, Roberto","Hydrogen bonded networks in N‒alkyl substituted thiourea platinum (II) oxocarbodianion and carboxylate salts","CrystEngComm","2008","10","9","1180","","10.1039/b803260b","","","0.71069","MoKα","","0.0559","0.0484","","","0.1581","0.1614","","","","","","1.276","","","","has coordinates,has disorder","180351","2020-10-21","18:00:00",""
"7202059","8.3659","0.0002","9.7365","0.0001","12.5373","0.0003","90.805","0.002","98.259","0.001","113.852","0.002","921.37","0.04","120","2","120","2","","","","","","","Roberto Quesada","6","P -1","-P 1","2","","","","- C32 H34 N8 O8 Pt S4 -","- C32 H34 N8 O8 Pt S4 -","- C32 H34 N8 O8 Pt S4 -","1","0.5","","Fisher, Matthew G.; Gale, Philip A.; Light, Mark E.; Quesada, Roberto","Hydrogen bonded networks in N‒alkyl substituted thiourea platinum (II) oxocarbodianion and carboxylate salts","CrystEngComm","2008","10","9","1180","","10.1039/b803260b","","","0.71073","MoKα","","0.0218","0.0216","","","0.0504","0.0505","","","","","","1.036","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202060","9.558","0.0002","9.934","0.0002","11.159","0.0002","80.721","0.001","78.108","0.001","86.762","0.001","1022.93","0.04","120","2","120","2","","","","","","","Roberto Quesada","6","P -1","-P 1","2","","","","- C40 H38 N8 O8 Pt S4 -","- C40 H38 N8 O8 Pt S4 -","- C40 H38 N8 O8 Pt S4 -","1","0.5","","Fisher, Matthew G.; Gale, Philip A.; Light, Mark E.; Quesada, Roberto","Hydrogen bonded networks in N‒alkyl substituted thiourea platinum (II) oxocarbodianion and carboxylate salts","CrystEngComm","2008","10","9","1180","","10.1039/b803260b","","","0.71069","MoKα","","0.0338","0.0277","","","0.0571","0.0588","","","","","","1.052","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202062","8.6165","0.0004","14.8416","0.0007","24.394","0.0012","90","","90","","90","","3119.6","0.3","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H34 N O6 P -","- C36 H34 N O6 P -","- C144 H136 N4 O24 P4 -","4","1","","Imai, Yoshitane; Murata, Katuzo; Matsuno, Hideki; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio","Formation of supramolecular host system with multiple chiral points (central, axial, and helical) by using (1R,2S)-2-amino-1,2-diphenylethanol","CrystEngComm","2008","10","8","947","","10.1039/b803331p","","","0.71073","MoKα","","0.0476","0.0433","","","0.0991","0.1016","","","","","","1.028","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202063","8.6388","0.0008","14.7982","0.0014","24.537","0.002","90","","90","","90","","3136.8","0.5","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H36 N O6 P -","- C37 H36 N O6 P -","- C148 H144 N4 O24 P4 -","4","1","","Imai, Yoshitane; Murata, Katuzo; Matsuno, Hideki; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio","Formation of supramolecular host system with multiple chiral points (central, axial, and helical) by using (1R,2S)-2-amino-1,2-diphenylethanol","CrystEngComm","2008","10","8","947","","10.1039/b803331p","","","0.71073","MoKα","","0.0817","0.0758","","","0.1693","0.172","","","","","","1.195","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202064","8.7098","0.0006","14.6885","0.0011","24.5732","0.0018","90","","90","","90","","3143.7","0.4","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H36 N O6 P -","- C37 H36 N O6 P -","- C148 H144 N4 O24 P4 -","4","1","","Imai, Yoshitane; Murata, Katuzo; Matsuno, Hideki; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio","Formation of supramolecular host system with multiple chiral points (central, axial, and helical) by using (1R,2S)-2-amino-1,2-diphenylethanol","CrystEngComm","2008","10","8","947","","10.1039/b803331p","","","0.71073","MoKα","","0.0695","0.0542","","","0.1031","0.1091","","","","","","1.041","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202065","15.2273","0.0015","9.6988","0.0009","17.8475","0.0017","90","","110.874","0.002","90","","2462.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H29 Ag N2 O4 -","- C28 H29 Ag N2 O4 -","- C112 H116 Ag4 N8 O16 -","4","1","","Zheng, Guo-li; Li, Yin-Yan; Deng, Rui-Ping; Song, Shu-Yan; Zhang, Hong-Jie","Self-assembly of guest-induced calix[4]arene nanocapsules into three-dimensional molecular architecture","CrystEngComm","2008","10","6","658","","10.1039/b803361g","","","0.71073","MoKα","","0.1374","0.053","","","0.0816","0.1057","","","","","","0.957","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202066","27.1014","0.0014","30.1316","0.0015","19.726","0.001","90","","90","","90","","16108.4","1.4","293","2","293","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C75 H83 Ag7 Cl K2 N4 O31.5 -","- C75 H68 Ag7 Cl K2 N4 O31.5 -","- C600 H544 Ag56 Cl8 K16 N32 O252 -","8","1","","Zheng, Guo-li; Li, Yin-Yan; Deng, Rui-Ping; Song, Shu-Yan; Zhang, Hong-Jie","Self-assembly of guest-induced calix[4]arene nanocapsules into three-dimensional molecular architecture","CrystEngComm","2008","10","6","658","","10.1039/b803361g","","","0.71073","MoKα","","0.121","0.0955","","","0.2575","0.2874","","","","","","1.039","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7202067","8.593","0.002","8.85","0.003","9.927","0.003","90","","112.927","0.005","90","","695.3","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 N6 O2 -","- C14 H16 N6 O2 -","- C28 H32 N12 O4 -","2","0.5","","Adarsh, N. N.; Kumar, D. Krishna; Dastidar, Parthasarathi","Zn(II) metal‒organic frameworks (MOFs) derived from a bis-pyridyl-bis-urea ligand: effects of crystallization solvents on the structures and anion binding properties","CrystEngComm","2008","10","11","1565","","10.1039/b803410a","","","0.71073","MoKα","","0.053","0.0405","","","0.1042","0.1112","","","","","","1.046","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202068","7.6927","0.0007","9.7564","0.0009","17.2857","0.0017","81.067","0.002","81.968","0.002","86.102","0.002","1267.6","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H32 N6 O13 S Zn -","- C16 H32 N6 O13 S Zn -","- C32 H64 N12 O26 S2 Zn2 -","2","1","","Adarsh, N. N.; Kumar, D. Krishna; Dastidar, Parthasarathi","Zn(II) metal‒organic frameworks (MOFs) derived from a bis-pyridyl-bis-urea ligand: effects of crystallization solvents on the structures and anion binding properties","CrystEngComm","2008","10","11","1565","","10.1039/b803410a","","","0.71073","MoKα","","0.0485","0.0409","","","0.0907","0.0944","","","","","","1.001","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202069","13.0983","0.0012","13.9309","0.0012","24.194","0.002","90","","94.795","0.002","90","","4399.3","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H56 N12 O14 S Zn -","- C36 H48 N12 O14 S Zn -","- C144 H192 N48 O56 S4 Zn4 -","4","1","","Adarsh, N. N.; Kumar, D. Krishna; Dastidar, Parthasarathi","Zn(II) metal‒organic frameworks (MOFs) derived from a bis-pyridyl-bis-urea ligand: effects of crystallization solvents on the structures and anion binding properties","CrystEngComm","2008","10","11","1565","","10.1039/b803410a","","","0.71073","MoKα","","0.0971","0.0689","","","0.1662","0.1818","","","","","","1.074","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202070","13.1959","0.0016","13.9981","0.0017","23.607","0.003","90","","94.712","0.002","90","","4345.9","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H52 N12 O14 S Zn -","- C34 H36 N12 O14 S Zn -","- C136 H144 N48 O56 S4 Zn4 -","4","1","","Adarsh, N. N.; Kumar, D. Krishna; Dastidar, Parthasarathi","Zn(II) metal‒organic frameworks (MOFs) derived from a bis-pyridyl-bis-urea ligand: effects of crystallization solvents on the structures and anion binding properties","CrystEngComm","2008","10","11","1565","","10.1039/b803410a","","","0.71073","MoKα","","0.1297","0.088","","","0.2163","0.2359","","","","","","1.31","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202071","13.3717","0.0009","13.695","0.0009","24.4168","0.0017","90","","96.412","0.001","90","","4443.4","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H56 N12 O16 S Zn -","- C36 H56 N12 O16 S Zn -","- C144 H224 N48 O64 S4 Zn4 -","4","1","","Adarsh, N. N.; Kumar, D. Krishna; Dastidar, Parthasarathi","Zn(II) metal‒organic frameworks (MOFs) derived from a bis-pyridyl-bis-urea ligand: effects of crystallization solvents on the structures and anion binding properties","CrystEngComm","2008","10","11","1565","","10.1039/b803410a","","","0.71073","MoKα","","0.0722","0.0569","","","0.1523","0.1626","","","","","","1.104","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202072","27.1492","0.0011","6.0119","0.0002","7.2935","0.0003","90","","90","","90","","1190.43","0.08","293","2","293","2","","","","","","","","4","P 21 c a","P -2ac 2a","29","","","","- C12 H10 Pb S2 -","- C12 H10 Pb S2 -","- C48 H40 Pb4 S8 -","4","1","","Giffard, Michel; Mercier, Nicolas; Gravoueille, Benoît; Ripaud, Emilie; Luc, Jerôme; Sahraoui, Bouchta","Polymorphism of lead(ii) benzenethiolate: a noncentrosymmetric new allotropic form of Pb(SPh)2","CrystEngComm","2008","10","8","968","","10.1039/b803434f","","x-ray","0.71073","MoKα","","","0.027","","","","0.0454","","","","","","1.032","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7202073","27.0798","0.0013","5.7437","0.0003","7.452","0.003","90","","90","","90","","1159.1","0.5","293","2","293","2","","","","","","","","4","P m c n","-P 2n 2a","62","","","","- C12 H10 Pb S2 -","- C12 H10 Pb S2 -","- C48 H40 Pb4 S8 -","4","0.5","","Giffard, Michel; Mercier, Nicolas; Gravoueille, Benoît; Ripaud, Emilie; Luc, Jerôme; Sahraoui, Bouchta","Polymorphism of lead(ii) benzenethiolate: a noncentrosymmetric new allotropic form of Pb(SPh)2","CrystEngComm","2008","10","8","968","","10.1039/b803434f","","x-ray","0.71073","MoKα","","","0.0357","","","","0.0627","","","","","","1.033","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7202077","14.498","0.003","21.071","0.005","22.764","0.005","67.934","0.004","77.079","0.004","84.601","0.004","6281","2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C136 H117 Ag3 Cr N4 O20.27 P7 -","- C136 H105 Ag3 Cr N4 O20.27 P7 -","- C272 H210 Ag6 Cr2 N8 O40.54 P14 -","2","1","","Dean, Philip A. W.; Craig, Donald C.; Scudder, Marcia L.; Dance, Ian G.","The crystallisation and packing of [Cr(C2O4Ag(PPh3)2)3] (Ph3P/Ph3PO) (MeNO2)4","CrystEngComm","2008","10","8","1044","","10.1039/b803643h","","x-ray","0.71073","MoKα","","","0.066","","","","0.103","","","","","","1.71","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202078","15.083","0.002","20.531","0.003","3.6656","0.0006","90","","90","","90","","1135.1","0.3","293","2","293","2","","","","","","","","6","C 2 2 2","C 2 2","21","","","","- C20 H16 Cl Cu2 N5 O3 -","- C20 H16 Cl Cu2 N5 O3 -","- C40 H32 Cl2 Cu4 N10 O6 -","2","0.25","","Hao, Hong-Qing; Wang, Jing; Liu, Wen-Ting; Tong, Ming-Liang","Two 3D hybrid networks of mog and bcu topology constructed with copper(I/I,II) halides and N,N′-spacers","CrystEngComm","2008","10","10","1454","","10.1039/b803728k","","","0.71073","MoKα","","0.0752","0.0674","","","0.1986","0.2075","","","","","","1.175","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202079","15.5963","0.0002","9.1944","0.0001","24.2176","0.0002","90","","101.474","0.001","90","","3403.37","0.06","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C68 H74 Cl2 Cu4 N8 O13 -","- C68 H64 Cl2 Cu4 N8 O13 -","- C136 H128 Cl4 Cu8 N16 O26 -","2","0.5","","Hao, Hong-Qing; Wang, Jing; Liu, Wen-Ting; Tong, Ming-Liang","Two 3D hybrid networks of mog and bcu topology constructed with copper(I/I,II) halides and N,N′-spacers","CrystEngComm","2008","10","10","1454","","10.1039/b803728k","","","1.54178","CuKα","","0.06","0.0456","","","0.1245","0.1311","","","","","","1.109","","","","has coordinates,has disorder","180351","2020-10-21","18:00:00",""
"7202080","11.7254","0.0012","12.6702","0.0013","16.507","0.003","96.307","0.002","96.961","0.002","113.76","0.001","2193.7","0.5","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H32 Co2 N12 O16 S4 -","- C36 H32 Co2 N12 O16 S4 -","- C72 H64 Co4 N24 O32 S8 -","2","1","","Zhang, Zhi-Hui; Du, Miao","Flexible and versatile anionic modules in the direction of 1-D, 2-D, and 3-D coordination frameworks by metal‒ligand synergistic interactions","CrystEngComm","2008","10","10","1350","","10.1039/b803736a","","","0.71073","MoKα","","0.0562","0.0381","","","0.1012","0.1116","","","","","","1.045","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202081","8.345","0.005","11.673","0.007","12.642","0.007","113.281","0.007","95.691","0.008","98.615","0.008","1101.3","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H16 N6 O8 S2 Zn -","- C18 H16 N6 O8 S2 Zn -","- C36 H32 N12 O16 S4 Zn2 -","2","1","","Zhang, Zhi-Hui; Du, Miao","Flexible and versatile anionic modules in the direction of 1-D, 2-D, and 3-D coordination frameworks by metal‒ligand synergistic interactions","CrystEngComm","2008","10","10","1350","","10.1039/b803736a","","","0.71073","MoKα","","0.0478","0.0329","","","0.0767","0.0803","","","","","","1.002","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202082","24.2121","0.0019","11.5806","0.0006","7.8686","0.0006","90","","99.652","0.001","90","","2175.1","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H14 N6 O7 Pb S2 -","- C18 H14 N6 O7 Pb S2 -","- C72 H56 N24 O28 Pb4 S8 -","4","0.5","","Zhang, Zhi-Hui; Du, Miao","Flexible and versatile anionic modules in the direction of 1-D, 2-D, and 3-D coordination frameworks by metal‒ligand synergistic interactions","CrystEngComm","2008","10","10","1350","","10.1039/b803736a","","","0.71073","MoKα","","0.0188","0.0164","","","0.0361","0.0367","","","","","","1.045","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202083","7.491","0.0007","14.3672","0.0013","22.775","0.002","90","","90","","90","","2451.2","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 Cu N6 O9 S2 -","- C18 H18 Cu N6 O9 S2 -","- C72 H72 Cu4 N24 O36 S8 -","4","1","","Zhang, Zhi-Hui; Du, Miao","Flexible and versatile anionic modules in the direction of 1-D, 2-D, and 3-D coordination frameworks by metal‒ligand synergistic interactions","CrystEngComm","2008","10","10","1350","","10.1039/b803736a","","","0.71073","MoKα","","0.0325","0.03","","","0.0928","0.0948","","","","","","1.047","","","","has coordinates,has disorder","180351","2020-10-21","18:00:00",""
"7202084","4.7162","0.0004","26.4099","0.0019","8.1806","0.0006","90","","105.484","0.001","90","","981.95","0.13","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 Cd N6 O6 S2 -","- C18 H12 Cd N6 O6 S2 -","- C36 H24 Cd2 N12 O12 S4 -","2","0.5","","Zhang, Zhi-Hui; Du, Miao","Flexible and versatile anionic modules in the direction of 1-D, 2-D, and 3-D coordination frameworks by metal‒ligand synergistic interactions","CrystEngComm","2008","10","10","1350","","10.1039/b803736a","","","0.71073","MoKα","","0.022","0.0199","","","0.0459","0.0469","","","","","","1.047","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202085","10.957","0.0011","9.9635","0.001","15.4573","0.0015","90","","94.426","0.002","90","","1682.4","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N4 -","- C20 H18 N4 -","- C80 H72 N16 -","4","1","","Carlucci, Lucia; Ciani, Gianfranco; Maggini, Simona; Proserpio, Davide M.","Metal‒organic coordination frameworks assembled with the long flexible ligand 4,4′-bis(imidazol-1-ylmethyl)biphenyl","CrystEngComm","2008","10","9","1191","","10.1039/b803815e","","","0.71073","MoKα","","0.1687","0.059","","0.177","0.134","","","","0.986","","","","","","","has coordinates,has disorder","180351","2020-10-21","18:00:00",""
"7202086","4.7126","0.001","15.269","0.003","24.148","0.005","90","","94.024","0.003","90","","1733.3","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 N4 O -","- C20 H20 N4 O -","- C80 H80 N16 O4 -","4","1","","Carlucci, Lucia; Ciani, Gianfranco; Maggini, Simona; Proserpio, Davide M.","Metal‒organic coordination frameworks assembled with the long flexible ligand 4,4′-bis(imidazol-1-ylmethyl)biphenyl","CrystEngComm","2008","10","9","1191","","10.1039/b803815e","","","0.71073","MoKα","","0.1641","0.069","","0.1625","0.1291","","","","1.007","","","","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202087","9.459","0.002","14.67","0.003","15.634","0.003","75.506","0.002","75.031","0.003","88.204","0.003","2027.8","0.7","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H19 F6 N4 P -","- C20 H19 F6 N4 P -","- C80 H76 F24 N16 P4 -","4","2","","Carlucci, Lucia; Ciani, Gianfranco; Maggini, Simona; Proserpio, Davide M.","Metal‒organic coordination frameworks assembled with the long flexible ligand 4,4′-bis(imidazol-1-ylmethyl)biphenyl","CrystEngComm","2008","10","9","1191","","10.1039/b803815e","","","0.71073","MoKα","","0.1651","0.0727","","0.2447","0.1873","","","","1.051","","","","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202088","7.6483","0.0004","30.7546","0.0016","11.2156","0.0006","90","","90","","90","","2638.1","0.2","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C20 H20 Cd N4 O5 S -","- C20 H20 Cd N4 O5 S -","- C80 H80 Cd4 N16 O20 S4 -","4","0.5","","Carlucci, Lucia; Ciani, Gianfranco; Maggini, Simona; Proserpio, Davide M.","Metal‒organic coordination frameworks assembled with the long flexible ligand 4,4′-bis(imidazol-1-ylmethyl)biphenyl","CrystEngComm","2008","10","9","1191","","10.1039/b803815e","","","0.71073","MoKα","","0.0769","0.0609","","0.1579","0.1503","","","","1.156","","","","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202089","9.946","0.0008","13.3417","0.0011","14.7986","0.0012","75.858","0.001","87.671","0.001","81.244","0.001","1882","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H36 Cd N10 O6 -","- C40 H36 Cd N10 O6 -","- C80 H72 Cd2 N20 O12 -","2","1","","Carlucci, Lucia; Ciani, Gianfranco; Maggini, Simona; Proserpio, Davide M.","Metal‒organic coordination frameworks assembled with the long flexible ligand 4,4′-bis(imidazol-1-ylmethyl)biphenyl","CrystEngComm","2008","10","9","1191","","10.1039/b803815e","","","0.71003","MoKα","","0.071","0.0463","","0.1078","0.0975","","","","1.027","","","","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202090","7.7149","0.0007","9.1923","0.0009","12.6485","0.0012","91.84","0.001","92.217","0.001","110.668","0.001","837.64","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H36 Cd N4 O8 S2 -","- C34 H36 Cd N4 O8 S2 -","- C34 H36 Cd N4 O8 S2 -","1","0.5","","Carlucci, Lucia; Ciani, Gianfranco; Maggini, Simona; Proserpio, Davide M.","Metal‒organic coordination frameworks assembled with the long flexible ligand 4,4′-bis(imidazol-1-ylmethyl)biphenyl","CrystEngComm","2008","10","9","1191","","10.1039/b803815e","","","0.71073","MoKα","","0.0421","0.0334","","0.0784","0.0739","","","","1.046","","","","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202091","9.0753","0.0019","9.997","0.002","17.486","0.004","91.871","0.003","93.356","0.003","108.918","0.002","1495.9","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H70 Cd N8 O12 S2 -","- C58 H70 Cd N8 O12 S2 -","- C58 H70 Cd N8 O12 S2 -","1","0.5","","Carlucci, Lucia; Ciani, Gianfranco; Maggini, Simona; Proserpio, Davide M.","Metal‒organic coordination frameworks assembled with the long flexible ligand 4,4′-bis(imidazol-1-ylmethyl)biphenyl","CrystEngComm","2008","10","9","1191","","10.1039/b803815e","","","0.71073","MoKα","","0.063","0.0431","","0.1044","0.0961","","","","1.029","","","","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202092","34.742","0.011","9.127","0.003","12.18","0.004","90","","106.64","0.005","90","","3700","2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H36 Co N8 O4 S -","- C40 H36 Co N8 O4 S -","- C160 H144 Co4 N32 O16 S4 -","4","0.5","","Carlucci, Lucia; Ciani, Gianfranco; Maggini, Simona; Proserpio, Davide M.","Metal‒organic coordination frameworks assembled with the long flexible ligand 4,4′-bis(imidazol-1-ylmethyl)biphenyl","CrystEngComm","2008","10","9","1191","","10.1039/b803815e","","","0.71073","MoKα","","0.2461","0.0786","","0.1589","0.1115","","","","0.946","","","","","","","has coordinates,has disorder","180351","2020-10-21","18:00:00",""
"7202093","8.7796","0.0019","14.857","0.003","21.621","0.005","72.212","0.004","81.686","0.004","83.572","0.004","2650.3","1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C108 H122 Co2 N24 O20 -","- C108 H118 Co2 N24 O20 -","- C108 H118 Co2 N24 O20 -","1","0.5","","Carlucci, Lucia; Ciani, Gianfranco; Maggini, Simona; Proserpio, Davide M.","Metal‒organic coordination frameworks assembled with the long flexible ligand 4,4′-bis(imidazol-1-ylmethyl)biphenyl","CrystEngComm","2008","10","9","1191","","10.1039/b803815e","","","0.71073","MoKα","","0.1551","0.108","","0.3327","0.2928","","","","1.042","","","","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202094","14.1572","0.0017","9.6534","0.0012","17.317","0.002","90","","91.729","0.002","90","","2365.6","0.5","150","2","150","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C46 H56 Cu N8 O10 S -","- C46 H48 Cu N8 O10 S -","- C92 H96 Cu2 N16 O20 S2 -","2","0.5","","Carlucci, Lucia; Ciani, Gianfranco; Maggini, Simona; Proserpio, Davide M.","Metal‒organic coordination frameworks assembled with the long flexible ligand 4,4′-bis(imidazol-1-ylmethyl)biphenyl","CrystEngComm","2008","10","9","1191","","10.1039/b803815e","","","0.71073","MoKα","","0.0822","0.0654","","0.1929","0.1777","","","","1.041","","","","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202095","8.85","0.0006","9.091","0.0007","13.24","0.001","71.503","0.003","83.998","0.003","67.939","0.003","936.11","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H36 Cu N10 O6 -","- C40 H36 Cu N10 O6 -","- C40 H36 Cu N10 O6 -","1","0.5","","Carlucci, Lucia; Ciani, Gianfranco; Maggini, Simona; Proserpio, Davide M.","Metal‒organic coordination frameworks assembled with the long flexible ligand 4,4′-bis(imidazol-1-ylmethyl)biphenyl","CrystEngComm","2008","10","9","1191","","10.1039/b803815e","","","0.71073","MoKα","","0.1243","0.0737","","0.185","0.1587","","","","1.005","","","","","","","has coordinates,has disorder","180351","2020-10-21","18:00:00",""
"7202096","14.862","0.005","16.693","0.006","34.116","0.012","90","","96.453","0.005","90","","8410","5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C80 H72 N16 O8 S2 Zn2 -","- C80 H72 N16 O8 S2 Zn2 -","- C320 H288 N64 O32 S8 Zn8 -","4","1","","Carlucci, Lucia; Ciani, Gianfranco; Maggini, Simona; Proserpio, Davide M.","Metal‒organic coordination frameworks assembled with the long flexible ligand 4,4′-bis(imidazol-1-ylmethyl)biphenyl","CrystEngComm","2008","10","9","1191","","10.1039/b803815e","","","0.71073","MoKα","","0.3186","0.0993","","0.3126","0.2438","","","","0.719","","","","","","","has coordinates,has disorder","180351","2020-10-21","18:00:00",""
"7202098","10.0688","0.0005","14.867","0.0007","21.1059","0.001","69.382","0.001","82.833","0.001","88.859","0.001","2933","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H60 N26 Ni3 O12 P4 -","- C40 H60 N26 Ni3 O12 P4 -","- C80 H120 N52 Ni6 O24 P8 -","2","1","","Chen, Shuo-ping; Li, Ming; Xiao, Yong; Yuan, Yi-xuan; Pan, Ling-ling; Yuan, Liang-jie","Hydrogen-bonded assembly of [Ni(Im)6]2+ ion and phosphorus anions: Different sandwiched-type/tessellate-type supramolecular architectures and 1D water chains","CrystEngComm","2008","10","9","1227","","10.1039/b804001j","","","0.71073","MoKα","","0.0354","0.0287","","","0.0744","0.0772","","","","","","1.063","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202099","9.008","0.0004","16.1663","0.0008","22.6665","0.0011","90","","90.039","0.001","90","","3300.8","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H37 N14 Ni O8 P -","- C21 H37 N14 Ni O8 P -","- C84 H148 N56 Ni4 O32 P4 -","4","1","","Chen, Shuo-ping; Li, Ming; Xiao, Yong; Yuan, Yi-xuan; Pan, Ling-ling; Yuan, Liang-jie","Hydrogen-bonded assembly of [Ni(Im)6]2+ ion and phosphorus anions: Different sandwiched-type/tessellate-type supramolecular architectures and 1D water chains","CrystEngComm","2008","10","9","1227","","10.1039/b804001j","","","0.71073","MoKα","","0.0398","0.0293","","","0.0832","0.0873","","","","","","1.066","","","","has coordinates","180351","2020-10-21","18:00:00",""
"7202100","9.9153","0.001","12.8275","0.0013","20.407","0.002","76.501","0.002","88.539","0.001","68.8","0.002","2348.1","0.4","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H50 N21 Ni2 O9 P2 -","- C32 H51 N21 Ni2 O9 P2 -","- C64 H102 N42 Ni4 O18 P4 -","2","1","","Chen, Shuo-ping; Li, Ming; Xiao, Yong; Yuan, Yi-xuan; Pan, Ling-ling; Yuan, Liang-jie","Hydrogen-bonded assembly of [Ni(Im)6]2+ ion and phosphorus anions: Different sandwiched-type/tessellate-type supramolecular architectures and 1D water chains","CrystEngComm","2008","10","9","1227","","10.1039/b804001j","","","0.71073","MoKα","","0.0505","0.0376","","","0.1166","0.1234","","","","","","1.093","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202101","9.333","0.0006","23.5953","0.0014","26.7989","0.0016","90","","97.765","0.001","90","","5847.4","0.6","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H68 N23 Ni2 O17 P3 -","- C36 H68 N23 Ni2 O17 P3 -","- C144 H272 N92 Ni8 O68 P12 -","4","1","","Chen, Shuo-ping; Li, Ming; Xiao, Yong; Yuan, Yi-xuan; Pan, Ling-ling; Yuan, Liang-jie","Hydrogen-bonded assembly of [Ni(Im)6]2+ ion and phosphorus anions: Different sandwiched-type/tessellate-type supramolecular architectures and 1D water chains","CrystEngComm","2008","10","9","1227","","10.1039/b804001j","","","0.71073","MoKα","","0.0933","0.0774","","","0.2225","0.2339","","","","","","1.143","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202103","8.552","0.003","4.9588","0.0017","24.778","0.01","90","","95.154","0.006","90","","1046.5","0.7","133","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6 O8 Zn2 -","- C10 H6 O8 Zn2 -","- C40 H24 O32 Zn8 -","4","1","","Cao, Xin-Yi; Li, Zhao-Ji; Zhang, Jian; Qin, Ye-Yan; Cheng, Jian-Kai; Yao, Yuan-Gen","Single- or double-stranded helices-sustained molecular bilayer architecture","CrystEngComm","2008","10","10","1345","","10.1039/b804371j","","","0.71073","MoKα","","0.0305","0.0284","","","0.08","0.081","","","","","","1.068","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202104","17.45","0.002","9.41","0.0006","28.87","0.003","90","","105.81","0.006","90","","4561.2","0.8","133.15","","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H42 Cd3 N4 O16 -","- C46 H42 Cd3 N4 O16 -","- C184 H168 Cd12 N16 O64 -","4","0.5","","Cao, Xin-Yi; Li, Zhao-Ji; Zhang, Jian; Qin, Ye-Yan; Cheng, Jian-Kai; Yao, Yuan-Gen","Single- or double-stranded helices-sustained molecular bilayer architecture","CrystEngComm","2008","10","10","1345","","10.1039/b804371j","","","0.71073","MoKα","","0.0577","0.053","","","0.1382","0.1413","","","","","","1.08","","","","has coordinates,has disorder","180352","2020-10-21","18:00:00",""
"7202105","27.42","0.005","27.42","0.005","7.0011","0.0018","90","","90","","120","","4558.6","1.7","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C10 H10.67 Cu Dy2 N4 O12.83 -","- C10 H10.6667 Cu Dy2 N4 O12.8333 -","- C90 H96 Cu9 Dy18 N36 O115.5 -","9","0.5","","Chen, Lan-Fen; Zhang, Jian; Ren, Guo-Qiang; Zhao-Ji Li,; Qin, Ye-Yan; Yin, Pei-Xiu; Cheng, Jian-Kai; Yao, Yuan-Gen","Nanosized lanthanide oxide rods in I1O3 hybrid organic‒inorganic frameworks involving in situ ligand synthesis","CrystEngComm","2008","10","8","1088","","10.1039/b804490b","","","0.71073","MoKα","","0.0316","0.0262","","","0.0671","0.0749","","","","","","1.002","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202106","27.3601","0.0008","27.3601","0.0008","6.9815","0.0004","90","","90","","120","","4526","0.3","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C10 H10.67 Cu Ho2 N4 O12.83 -","- C10 H10.6667 Cu Ho2 N4 O12.8333 -","- C90 H96 Cu9 Ho18 N36 O115.5 -","9","0.5","","Chen, Lan-Fen; Zhang, Jian; Ren, Guo-Qiang; Zhao-Ji Li,; Qin, Ye-Yan; Yin, Pei-Xiu; Cheng, Jian-Kai; Yao, Yuan-Gen","Nanosized lanthanide oxide rods in I1O3 hybrid organic‒inorganic frameworks involving in situ ligand synthesis","CrystEngComm","2008","10","8","1088","","10.1039/b804490b","","","0.71073","MoKα","","0.0278","0.026","","","0.067","0.068","","","","","","1.003","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202107","27.294","0.004","27.294","0.004","6.9565","0.0013","90","","90","","120","","4488","1.3","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C10 H10.67 Cu Er2 N4 O12.83 -","- C10 H10.6667 Cu Er2 N4 O12.8333 -","- C90 H96 Cu9 Er18 N36 O115.5 -","9","0.5","","Chen, Lan-Fen; Zhang, Jian; Ren, Guo-Qiang; Zhao-Ji Li,; Qin, Ye-Yan; Yin, Pei-Xiu; Cheng, Jian-Kai; Yao, Yuan-Gen","Nanosized lanthanide oxide rods in I1O3 hybrid organic‒inorganic frameworks involving in situ ligand synthesis","CrystEngComm","2008","10","8","1088","","10.1039/b804490b","","","0.71073","MoKα","","0.0255","0.0223","","","0.0741","0.0819","","","","","","1.001","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202109","6.961","0.004","19.331","0.008","13.812","0.007","90","","95.43","0.02","90","","1850.2","1.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 N4 Ni O5 -","- C18 H18 N4 Ni O5 -","- C72 H72 N16 Ni4 O20 -","4","0.5","","Zhang, Lai-Ping; Yang, Jin; Ma, Jian-Fang; Jia, Zhi-Fang; Xie, Yun-Peng; Wei, Guo-Hua","A series of 2D and 3D metal‒organic frameworks based on different polycarboxylate anions and a flexible 2,2′-bis(1H-imidazolyl)ether ligand","CrystEngComm","2008","10","10","1410","","10.1039/b804578j","","","0.71069","MoKα","","0.0393","0.031","","","0.0665","0.0695","","","","","","1.046","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202110","8.244","0.005","9.858","0.006","12.13","0.006","103.88","0.02","96.27","0.02","105.88","0.02","904.2","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H18 Cu N4 O5 -","- C18 H18 Cu N4 O5 -","- C36 H36 Cu2 N8 O10 -","2","1","","Zhang, Lai-Ping; Yang, Jin; Ma, Jian-Fang; Jia, Zhi-Fang; Xie, Yun-Peng; Wei, Guo-Hua","A series of 2D and 3D metal‒organic frameworks based on different polycarboxylate anions and a flexible 2,2′-bis(1H-imidazolyl)ether ligand","CrystEngComm","2008","10","10","1410","","10.1039/b804578j","","","0.71073","MoKα","","0.0676","0.0528","","","0.1581","0.1684","","","","","","1.055","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202111","10.352","0.005","12.761","0.005","14.229","0.006","90","","97.241","0.018","90","","1864.7","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 Cu N4 O5 -","- C18 H18 Cu N4 O5 -","- C72 H72 Cu4 N16 O20 -","4","1","","Zhang, Lai-Ping; Yang, Jin; Ma, Jian-Fang; Jia, Zhi-Fang; Xie, Yun-Peng; Wei, Guo-Hua","A series of 2D and 3D metal‒organic frameworks based on different polycarboxylate anions and a flexible 2,2′-bis(1H-imidazolyl)ether ligand","CrystEngComm","2008","10","10","1410","","10.1039/b804578j","","","0.71069","MoKα","","0.0692","0.0476","","","0.1215","0.1332","","","","","","1.078","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202112","9.472","0.004","17.653","0.005","8.516","0.003","90","","97.072","0.015","90","","1413.1","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 Co N4 O5 -","- C12 H14 Co N4 O5 -","- C48 H56 Co4 N16 O20 -","4","1","","Zhang, Lai-Ping; Yang, Jin; Ma, Jian-Fang; Jia, Zhi-Fang; Xie, Yun-Peng; Wei, Guo-Hua","A series of 2D and 3D metal‒organic frameworks based on different polycarboxylate anions and a flexible 2,2′-bis(1H-imidazolyl)ether ligand","CrystEngComm","2008","10","10","1410","","10.1039/b804578j","","","0.71069","MoKα","","0.0395","0.0293","","","0.0579","0.0617","","","","","","0.914","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202113","17.302","0.008","13.499","0.007","13.768","0.006","90","","102.085","0.016","90","","3144","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H15 Cu N4 O5 -","- C15 H15 Cu N4 O5 -","- C120 H120 Cu8 N32 O40 -","8","1","","Zhang, Lai-Ping; Yang, Jin; Ma, Jian-Fang; Jia, Zhi-Fang; Xie, Yun-Peng; Wei, Guo-Hua","A series of 2D and 3D metal‒organic frameworks based on different polycarboxylate anions and a flexible 2,2′-bis(1H-imidazolyl)ether ligand","CrystEngComm","2008","10","10","1410","","10.1039/b804578j","","","0.71073","MoKα","","0.1571","0.0736","","","0.1695","0.2152","","","","","","0.936","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202114","18.39","0.003","14.018","0.003","13.338","0.006","90","","101.919","0.012","90","","3364.3","1.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 Co2 N8 O11 -","- C30 H30 Co2 N8 O11 -","- C120 H120 Co8 N32 O44 -","4","1","","Zhang, Lai-Ping; Yang, Jin; Ma, Jian-Fang; Jia, Zhi-Fang; Xie, Yun-Peng; Wei, Guo-Hua","A series of 2D and 3D metal‒organic frameworks based on different polycarboxylate anions and a flexible 2,2′-bis(1H-imidazolyl)ether ligand","CrystEngComm","2008","10","10","1410","","10.1039/b804578j","","","0.71069","MoKα","","0.0671","0.0438","","","0.1031","0.1146","","","","","","1.058","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202115","13.542","0.005","16.939","0.005","13.351","0.003","90","","112.484","0.013","90","","2829.8","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H48 Cu5 N8 O22 -","- C52 H47.112 Cu5 N8 O22 -","- C104 H94.224 Cu10 N16 O44 -","2","0.5","","Zhang, Lai-Ping; Yang, Jin; Ma, Jian-Fang; Jia, Zhi-Fang; Xie, Yun-Peng; Wei, Guo-Hua","A series of 2D and 3D metal‒organic frameworks based on different polycarboxylate anions and a flexible 2,2′-bis(1H-imidazolyl)ether ligand","CrystEngComm","2008","10","10","1410","","10.1039/b804578j","","","0.71073","MoKα","","0.0506","0.0404","","","0.0983","0.1035","","","","","","1.066","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7202116","11.7668","0.0016","16.821","0.003","20.579","0.003","90","","90","","90","","4073.2","1.1","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C38 H40 Cu3 N8 O17 -","- C38 H40 Cu3 N8 O17 -","- C152 H160 Cu12 N32 O68 -","4","0.5","","Zhang, Lai-Ping; Yang, Jin; Ma, Jian-Fang; Jia, Zhi-Fang; Xie, Yun-Peng; Wei, Guo-Hua","A series of 2D and 3D metal‒organic frameworks based on different polycarboxylate anions and a flexible 2,2′-bis(1H-imidazolyl)ether ligand","CrystEngComm","2008","10","10","1410","","10.1039/b804578j","","","0.71073","MoKα","","0.1394","0.0603","","","0.1188","0.1442","","","","","","0.955","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202117","8.6815","0.0007","13.0155","0.0011","19.137","0.0016","90","","93.964","0.001","90","","2157.2","0.3","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 N3 O14 Zn2.5 -","- C20 H14 N3 O14 Zn2.5 -","- C80 H56 N12 O56 Zn10 -","4","1","","Yang, En-Cui; Liu, Zhong-Yi; Wang, Xiu-Guang; Batten, Stuart R.; Zhao, Xiao-Jun","Three Zn(II)-triazole-H3btc complexes regulated by mixed ligands protonation upon stepwise crystallization","CrystEngComm","2008","10","9","1140","","10.1039/b804944k","","","0.71073","MoKα","","0.0241","0.0209","","","0.0553","0.0564","","","","","","1.039","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202118","24.4776","0.0017","34.405","0.002","9.8623","0.0006","90","","90","","90","","8305.6","0.9","294","2","294","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C13 H13 N6 O9 Zn2.5 -","- C13 H9 N6 O9 Zn2.5 -","- C208 H144 N96 O144 Zn40 -","16","1","","Yang, En-Cui; Liu, Zhong-Yi; Wang, Xiu-Guang; Batten, Stuart R.; Zhao, Xiao-Jun","Three Zn(II)-triazole-H3btc complexes regulated by mixed ligands protonation upon stepwise crystallization","CrystEngComm","2008","10","9","1140","","10.1039/b804944k","","","0.71073","MoKα","","0.0227","0.0218","","","0.0731","0.0735","","","","","","1.003","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7202119","7.6066","0.0011","9.968","0.0013","11.0456","0.0015","80.207","0.002","72.592","0.002","69.377","0.002","745.97","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H26 N6 O18 Zn2 -","- C22 H26 N6 O18 Zn2 -","- C22 H26 N6 O18 Zn2 -","1","0.5","","Yang, En-Cui; Liu, Zhong-Yi; Wang, Xiu-Guang; Batten, Stuart R.; Zhao, Xiao-Jun","Three Zn(II)-triazole-H3btc complexes regulated by mixed ligands protonation upon stepwise crystallization","CrystEngComm","2008","10","9","1140","","10.1039/b804944k","","","0.71073","MoKα","","0.0316","0.03","","","0.0835","0.0845","","","","","","1.037","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202120","7.2005","0.0015","12.813","0.003","14.723","0.003","74.624","0.004","89.392","0.004","87.687","0.003","1308.7","0.5","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H24 La2 N3 Ni1.5 O22.5 -","- C15 H15 La2 N3 Ni1.5 O22.5 -","- C30 H30 La4 N6 Ni3 O45 -","2","1","","Kong, Xiang-Jian; Ren, Yan-Ping; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun; Kurmoo, Mohamedally","Influence of reaction conditions on the channel shape of 3d-4f heterometallic metal‒organic framework","CrystEngComm","2008","10","10","1309","","10.1039/b804966a","","","0.71073","MoKα","","0.0438","0.0397","","","0.1018","0.1046","","","","","","1.043","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202121","7.2229","0.0011","12.7689","0.0019","14.766","0.002","74.862","0.002","89.617","0.002","87.493","0.002","1313.3","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H21 La2 N3 Ni1.5 O21 -","- C15 H21 La2 N3 Ni1.5 O21 -","- C30 H42 La4 N6 Ni3 O42 -","2","1","","Kong, Xiang-Jian; Ren, Yan-Ping; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun; Kurmoo, Mohamedally","Influence of reaction conditions on the channel shape of 3d-4f heterometallic metal‒organic framework","CrystEngComm","2008","10","10","1309","","10.1039/b804966a","","","0.71073","MoKα","","0.0287","0.027","","","0.0806","0.082","","","","","","1.135","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202122","7.1179","0.0016","12.65","0.003","14.633","0.003","74.922","0.004","89.513","0.004","87.403","0.004","1270.9","0.5","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H23 N3 Nd2 Ni1.5 O22 -","- C15 H21 N3 Nd2 Ni1.5 O22 -","- C30 H42 N6 Nd4 Ni3 O44 -","2","1","","Kong, Xiang-Jian; Ren, Yan-Ping; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun; Kurmoo, Mohamedally","Influence of reaction conditions on the channel shape of 3d-4f heterometallic metal‒organic framework","CrystEngComm","2008","10","10","1309","","10.1039/b804966a","","","0.71073","MoKα","","0.0502","0.0445","","","0.0946","0.098","","","","","","1.121","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202123","7.0976","0.0019","12.604","0.003","14.654","0.004","74.981","0.005","89.72","0.005","87.365","0.005","1264.8","0.6","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H23 Eu2 N3 Ni1.5 O22 -","- C15 H21 Eu2 N3 Ni1.5 O22 -","- C30 H42 Eu4 N6 Ni3 O44 -","2","1","","Kong, Xiang-Jian; Ren, Yan-Ping; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun; Kurmoo, Mohamedally","Influence of reaction conditions on the channel shape of 3d-4f heterometallic metal‒organic framework","CrystEngComm","2008","10","10","1309","","10.1039/b804966a","","","0.71073","MoKα","","0.0524","0.043","","","0.0977","0.102","","","","","","1.018","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202124","7.0723","0.0014","12.517","0.003","14.536","0.003","74.901","0.004","89.669","0.004","87.133","0.004","1240.8","0.5","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H23 Gd2 N3 Ni1.5 O22 -","- C15 H21 Gd2 N3 Ni1.5 O22 -","- C30 H42 Gd4 N6 Ni3 O44 -","2","1","","Kong, Xiang-Jian; Ren, Yan-Ping; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun; Kurmoo, Mohamedally","Influence of reaction conditions on the channel shape of 3d-4f heterometallic metal‒organic framework","CrystEngComm","2008","10","10","1309","","10.1039/b804966a","","","0.71073","MoKα","","0.0439","0.0415","","","0.1067","0.1087","","","","","","1.031","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202125","7.113","0.002","8.519","0.002","12.641","0.004","74.748","0.005","88.024","0.005","86.919","0.005","737.8","0.4","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H28 N4 Ni2 O24 Pr2 -","- C18 H24 N4 Ni2 O24 Pr2 -","- C18 H24 N4 Ni2 O24 Pr2 -","1","0.5","","Kong, Xiang-Jian; Ren, Yan-Ping; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun; Kurmoo, Mohamedally","Influence of reaction conditions on the channel shape of 3d-4f heterometallic metal‒organic framework","CrystEngComm","2008","10","10","1309","","10.1039/b804966a","","","0.71073","MoKα","","0.0378","0.0371","","","0.111","0.1121","","","","","","1.007","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202126","7.153","0.002","8.569","0.003","12.57","0.004","75.026","0.006","87.787","0.006","85.779","0.006","742.1","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H24 N4 Ni2 O22 Pr2 -","- C18 H24 N4 Ni2 O22 Pr2 -","- C18 H24 N4 Ni2 O22 Pr2 -","1","0.5","","Kong, Xiang-Jian; Ren, Yan-Ping; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun; Kurmoo, Mohamedally","Influence of reaction conditions on the channel shape of 3d-4f heterometallic metal‒organic framework","CrystEngComm","2008","10","10","1309","","10.1039/b804966a","","","0.71073","MoKα","","0.0576","0.0531","","","0.1329","0.136","","","","","","1.075","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202127","7.225","0.0013","8.6469","0.0016","12.836","0.002","74.971","0.003","87.847","0.003","86.518","0.003","772.9","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H14 La N2 Ni O12 -","- C9 H12 La N2 Ni O12 -","- C18 H24 La2 N4 Ni2 O24 -","2","1","","Kong, Xiang-Jian; Ren, Yan-Ping; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun; Kurmoo, Mohamedally","Influence of reaction conditions on the channel shape of 3d-4f heterometallic metal‒organic framework","CrystEngComm","2008","10","10","1309","","10.1039/b804966a","","","0.71073","MoKα","","0.0253","0.0248","","","0.0651","0.0654","","","","","","1.104","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202128","7.163","0.0016","8.5771","0.0019","12.728","0.003","74.789","0.004","87.82","0.004","86.685","0.004","753.1","0.3","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H28 N4 Nd2 Ni2 O24 -","- C18 H24 N4 Nd2 Ni2 O24 -","- C18 H24 N4 Nd2 Ni2 O24 -","1","0.5","","Kong, Xiang-Jian; Ren, Yan-Ping; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun; Kurmoo, Mohamedally","Influence of reaction conditions on the channel shape of 3d-4f heterometallic metal‒organic framework","CrystEngComm","2008","10","10","1309","","10.1039/b804966a","","","0.71073","MoKα","","0.0396","0.039","","","0.1003","0.1011","","","","","","1.017","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202129","7.1243","0.0019","8.578","0.002","12.695","0.003","74.769","0.004","87.335","0.005","86.314","0.005","746.7","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H28 Eu2 N4 Ni2 O24 -","- C18 H24 Eu2 N4 Ni2 O24 -","- C18 H24 Eu2 N4 Ni2 O24 -","1","0.5","","Kong, Xiang-Jian; Ren, Yan-Ping; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun; Kurmoo, Mohamedally","Influence of reaction conditions on the channel shape of 3d-4f heterometallic metal‒organic framework","CrystEngComm","2008","10","10","1309","","10.1039/b804966a","","","0.71073","MoKα","","0.0432","0.0422","","","0.1157","0.1169","","","","","","1.106","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202130","7.4026","0.0018","8.224","0.002","9.822","0.002","81.482","0.004","81.709","0.004","83.254","0.004","582.3","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H18 Dy2 N2 Ni O20 -","- C12 H18 Dy2 N2 Ni O20 -","- C12 H18 Dy2 N2 Ni O20 -","1","0.5","","Kong, Xiang-Jian; Ren, Yan-Ping; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun; Kurmoo, Mohamedally","Influence of reaction conditions on the channel shape of 3d-4f heterometallic metal‒organic framework","CrystEngComm","2008","10","10","1309","","10.1039/b804966a","","","0.71073","MoKα","","0.037","0.0358","","","0.0905","0.0915","","","","","","1.065","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202131","9.427","0.003","11.482","0.004","12.836","0.004","68.977","0.007","81.168","0.005","65.834","0.004","1183.2","0.7","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H42 Cd2 N4 O12 -","- C56 H42 Cd2 N4 O12 -","- C56 H42 Cd2 N4 O12 -","1","0.5","","Luo, Feng; Yang, Yu-Ting; Che, Yun-Xia; Zheng, Ji-Min","An unusual metal‒organic framework showing both rotaxane- and cantenane-like motifs","CrystEngComm","2008","10","8","981","","10.1039/b805025b","","","0.71073","MoKα","","0.0563","0.0405","","","0.0824","0.0878","","","","","","1.04","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202132","12.905","0.003","4.573","0.0009","16.072","0.003","90","","114.79","0.03","90","","861.1","0.4","220","0.1","295","2","","","100","","","","","4","C 1 2/c 1","-C 2yc","15","bromoiodomethane","bromoiodomethane","","- C H2 Br I -","- C H2 Br I -","- C8 H16 Br8 I8 -","8","1","","Podsiadło, Marcin; Katrusiak, Andrzej","Isostructural relations in dihalomethanes and disproportionation of bromoiodomethane","CrystEngComm","2008","10","10","1436","","10.1039/b805065a","","","0.71073","MoKα","","0.0892","0.0662","","","0.1507","0.166","","","","","","1.159","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202133","12.817","0.003","4.5223","0.0009","15.757","0.003","90","","114.45","0.03","90","","831.4","0.4","100","0.1","295","2","","","100","","","","","4","C 1 2/c 1","-C 2yc","15","bromoiodomethane","bromoiodomethane","","- C H2 Br I -","- C H2 Br I -","- C8 H16 Br8 I8 -","8","1","","Podsiadło, Marcin; Katrusiak, Andrzej","Isostructural relations in dihalomethanes and disproportionation of bromoiodomethane","CrystEngComm","2008","10","10","1436","","10.1039/b805065a","","","0.71073","MoKα","","0.0646","0.057","","","0.12","0.1255","","","","","","1.116","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202134","12.649","0.003","4.4767","0.0009","15.425","0.003","90","","112.98","0.03","90","","804.1","0.3","295","2","295","2","","","540000","","","","","4","C 1 2/c 1","-C 2yc","15","bromoiodomethane","bromoiodomethane","","- C H2 Br I -","- C H2 Br I -","- C8 H16 Br8 I8 -","8","1","","Podsiadło, Marcin; Katrusiak, Andrzej","Isostructural relations in dihalomethanes and disproportionation of bromoiodomethane","CrystEngComm","2008","10","10","1436","","10.1039/b805065a","","","0.71073","MoKα","","0.0325","0.0268","","","0.0662","0.0698","","","","","","1.172","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202135","7.0153","0.0014","12.599","0.003","4.5877","0.0009","90","","90","","90","","405.49","0.15","295","2","295","2","","","800000","","","","","3","F m m 2","F 2 -2","42","diiodomethane, polymorph II","diiodomethane, polymorph II","","- C H2 I2 -","- C H2 I2 -","- C4 H8 I8 -","4","0.25","","Podsiadło, Marcin; Katrusiak, Andrzej","Isostructural relations in dihalomethanes and disproportionation of bromoiodomethane","CrystEngComm","2008","10","10","1436","","10.1039/b805065a","","","0.71073","MoKα","","0.0461","0.0407","","","0.0506","0.0518","","","","","","1.23","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202136","12.118","0.003","23.052","0.007","14.59","0.004","90","","94.792","0.013","90","","4061.4","1.9","213","2","213","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H38 Cl6 N2 O4 Pd -","- C42 H38 Cl6 N2 O4 Pd -","- C168 H152 Cl24 N8 O16 Pd4 -","4","1","","Mastalerz, Michael; Rivera, Hebert Jesus Estevez; Hüggenberg, Wiebke; Merz, Klaus; Oppel, Iris M.; Dyker, Gerald","Pyridoxycalix[4]arene palladium(II) complexes as tectons for self-inclusion polymers","CrystEngComm","2008","10","9","1120","","10.1039/b805082a","","","0.71073","MoKα","","0.1401","0.0716","","","0.1371","0.1639","","","","","","1.029","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202137","19.4585","0.0018","20.414","0.002","17.2783","0.0015","90","","93.127","0.008","90","","6853.2","1.1","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H33.5 Cl2 N2 O4.75 Pd -","- C39 H32 Cl2 N2 O4.75 Pd -","- C312 H256 Cl16 N16 O38 Pd8 -","8","2","","Mastalerz, Michael; Rivera, Hebert Jesus Estevez; Hüggenberg, Wiebke; Merz, Klaus; Oppel, Iris M.; Dyker, Gerald","Pyridoxycalix[4]arene palladium(II) complexes as tectons for self-inclusion polymers","CrystEngComm","2008","10","9","1120","","10.1039/b805082a","","","0.71073","MoKα","","0.1116","0.0514","","","0.1053","0.121","","","","","","0.916","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7202138","18.184","0.004","19.203","0.004","13.458","0.003","90","","112.49","0.03","90","","4342","1.9","213","2","213","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C39 H31 Cl4 N2 O4 Pd2 -","- C39 H31 Cl4 N2 O4 Pd2 -","- C156 H124 Cl16 N8 O16 Pd8 -","4","0.5","","Mastalerz, Michael; Rivera, Hebert Jesus Estevez; Hüggenberg, Wiebke; Merz, Klaus; Oppel, Iris M.; Dyker, Gerald","Pyridoxycalix[4]arene palladium(II) complexes as tectons for self-inclusion polymers","CrystEngComm","2008","10","9","1120","","10.1039/b805082a","","","0.71073","MoKα","","0.1516","0.0684","","","0.1603","0.1875","","","","","","0.84","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202139","21.909","0.006","9.982","0.003","20.68","0.006","90","","110.377","0.005","90","","4240","2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H34 Cd3 N8 O12 -","- C46 H34 Cd3 N8 O12 -","- C184 H136 Cd12 N32 O48 -","4","0.5","","Yao, Jing; Lu, Zhen-Da; Li, Yi-Zhi; Lin, Jian-Guo; Duan, Xian-Ying; Gao, Song; Meng, Qing-Jin; Lu, Chang-Sheng","Three-dimensional metal‒organic frameworks constructed from bix and 1,2,4-benzenetricarboxylate","CrystEngComm","2008","10","10","1379","","10.1039/b805263h","","","0.71073","MoKα","","0.0619","0.0453","","","0.09","0.0955","","","","","","1.037","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202140","10.142","0.002","14.93","0.004","15.4664","0.0016","114.061","0.002","106.591","0.001","94.815","0.003","1995","0.7","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C83 H65 N16 O18 Zn4 -","- C83 H65 N16 O18 Zn4 -","- C83 H65 N16 O18 Zn4 -","1","0.5","","Yao, Jing; Lu, Zhen-Da; Li, Yi-Zhi; Lin, Jian-Guo; Duan, Xian-Ying; Gao, Song; Meng, Qing-Jin; Lu, Chang-Sheng","Three-dimensional metal‒organic frameworks constructed from bix and 1,2,4-benzenetricarboxylate","CrystEngComm","2008","10","10","1379","","10.1039/b805263h","","","0.71073","MoKα","","0.0769","0.0581","","","0.1162","0.1211","","","","","","1.019","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202141","15.326","0.0005","15.982","0.0005","16.135","0.0004","65.687","0.002","77.18","0.002","64.427","0.001","3244.08","0.18","110","2","110","2","","","","","","","","6","P -1","-P 1","2","para-sulfonatocalix(4)arene Chlorhexidine","para-sulfonatocalix[4]arene Chlorhexidine","","- C53 H77 Cl2 N10 O25 S4 -","- C50 H65 Cl2 N10 O22 S4 -","- C100 H130 Cl4 N20 O44 S8 -","2","1","","Dupont, Nathalie; Lazar, Adina N.; Perret, Florent; Danylyuk, Oksana; Suwinska, Kinga; Navaza, Alda; Coleman, Anthony W.","Solid state structures of the complexes between the antiseptic chlorhexidine and three anionic derivatives of calix[4]arene","CrystEngComm","2008","10","8","975","","10.1039/b805317k","","","0.71073","MoKα","","0.0803","0.0544","","","0.1313","0.1433","","","","","","1.046","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202142","10.104","0.002","14.629","0.003","19.376","0.004","69.71","0.03","87.37","0.03","85.17","0.03","2676.3","1.1","110","2","110","2","","","","","","","","5","P -1","-P 1","2","calix(4)arene dimethoxycarboxylic acid Chlorhexidine","calix[4]arene dimethoxycarboxylic acid Chlorhexidine","","- C54 H60 Cl2 N10 O9 -","- C54 H60 Cl2 N10 O9 -","- C108 H120 Cl4 N20 O18 -","2","1","","Dupont, Nathalie; Lazar, Adina N.; Perret, Florent; Danylyuk, Oksana; Suwinska, Kinga; Navaza, Alda; Coleman, Anthony W.","Solid state structures of the complexes between the antiseptic chlorhexidine and three anionic derivatives of calix[4]arene","CrystEngComm","2008","10","8","975","","10.1039/b805317k","","","0.71073","MoKα","","0.2945","0.088","","","0.1712","0.2504","","","","","","0.896","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202143","26.444","0.0013","13.126","0.0016","31.572","0.003","90","0.005","109.506","0.006","90","0.006","10329.8","1.7","110","2","110","2","","","","","","","","7","C 1 c 1","C -2yc","9","calix(4)arene dihydroxyphosphonic acid Chlorhexidine","calix[4]arene dihydroxyphosphonic acid Chlorhexidine","","- C168 H230 Cl4 K4 N20 O69 P8 -","- C168 H190 Cl4 K4 N20 O69 P8 -","- C336 H380 Cl8 K8 N40 O138 P16 -","2","0.5","","Dupont, Nathalie; Lazar, Adina N.; Perret, Florent; Danylyuk, Oksana; Suwinska, Kinga; Navaza, Alda; Coleman, Anthony W.","Solid state structures of the complexes between the antiseptic chlorhexidine and three anionic derivatives of calix[4]arene","CrystEngComm","2008","10","8","975","","10.1039/b805317k","","","0.71073","MoKα","","0.1038","0.0714","","","0.1695","0.1879","","","","","","1.005","","","","has coordinates,has disorder","180352","2020-10-21","18:00:00",""
"7202146","5.1928","0.0005","12.78","0.0014","15.3165","0.0015","82.143","0.006","80.888","0.006","87.501","0.006","993.96","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H19 Co N2 O11.5 -","- C18 H17.962 Co N2 O11.481 -","- C36 H35.924 Co2 N4 O22.962 -","2","1","","Ai, Wentao; He, Haiyan; Liu, Longjie; Liu, Qianjin; Lv, Xiaoli; Li, Jing; Sun, Daofeng","Synthesis, crystal structures and properties of three metal‒organic supramolecular architectures based on mixed organic ligands","CrystEngComm","2008","10","10","1480","","10.1039/b805379k","","","0.71073","MoKα","","0.0523","0.0404","","","0.104","0.1121","","","","","","1.104","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7202147","13.1282","0.0003","8.5385","0.0002","17.7763","0.0004","90","","91.939","0.001","90","","1991.5","0.08","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 N2 O10 Zn -","- C20 H14 N2 O10 Zn -","- C80 H56 N8 O40 Zn4 -","4","1","","Ai, Wentao; He, Haiyan; Liu, Longjie; Liu, Qianjin; Lv, Xiaoli; Li, Jing; Sun, Daofeng","Synthesis, crystal structures and properties of three metal‒organic supramolecular architectures based on mixed organic ligands","CrystEngComm","2008","10","10","1480","","10.1039/b805379k","","","0.71073","MoKα","","0.0437","0.0382","","","0.1182","0.1236","","","","","","1.06","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202148","21.693","0.004","8.5861","0.0018","22.878","0.005","90","","100.686","0.012","90","","4187.3","1.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H38 Cd3 N4 O24 -","- C36 H32 Cd3 N4 O24 -","- C144 H128 Cd12 N16 O96 -","4","0.5","","Ai, Wentao; He, Haiyan; Liu, Longjie; Liu, Qianjin; Lv, Xiaoli; Li, Jing; Sun, Daofeng","Synthesis, crystal structures and properties of three metal‒organic supramolecular architectures based on mixed organic ligands","CrystEngComm","2008","10","10","1480","","10.1039/b805379k","","","0.71073","MoKα","","0.0398","0.0325","","","0.0871","0.0915","","","","","","1.073","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202149","6.6687","0.0013","8.0335","0.0016","11.706","0.002","80.009","0.004","83.271","0.006","83.926","0.006","611","0.2","293","2","293","2","","","","","","","","2","P -1","-P 1","2","Trans-DPDSB","Trans,trans-2,5-Diphenyl-1,4-distyrylbenzene","","- C34 H26 -","- C34 H26 -","- C34 H26 -","1","0.5","","Wang, H.; Xie, Z. Q.; Yang, B.; Shen, F. Z.; Li, Y. P.; Ma, Y. G.","Several slice-like organic crystals grown by the physical vapor transport method: combining atomic force microscopy and X-ray diffraction to explore the characteristics of crystal formation","CrystEngComm","2008","10","9","1252","","10.1039/b805512b","","","0.71073","MoKα","","0.0794","0.0463","","","0.124","0.1369","","","","","","1.048","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202150","7.544","0.005","8.604","0.007","10.394","0.003","93.18","0.05","97.73","0.04","114.7","0.05","602.7","0.7","293","","293","","","","570000","","","","","4","P -1","-P 1","2","","2:1:2 Paracetamol:piperazine:ethanol solvate","","- C12 H20 N2 O3 -","- C12 H20 N2 O3 -","- C24 H40 N4 O6 -","2","1","","Oswald, Iain D. H.; Pulham, Colin R.","Co-crystallisation at high pressure—an additional tool for the preparation and study of co-crystals","CrystEngComm","2008","10","9","1114","","10.1039/b805591b","","","0.71073","MoKα","","0.1123","0.0604","","0.2084","0.1659","0.2084","","","","","","0.9272","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202151","20.365","0.005","19.046","0.005","30.48","0.005","90","","107.768","0.005","90","","11258","4","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C32 H70 La1.5 N2 Na0.5 O39.5 S4 -","- C32 H20 La1.5 N2 Na0.5 O39.5 S4 -","- C256 H160 La12 N16 Na4 O316 S32 -","8","1","","Zheng, Guoli; Zhang, Feng; Li, Yinyan; Zhang, Hongjie","Guest inducing p-sulfonatocalix[4]arene into three-dimensional capsule architecture and a mixed A‒B double layer framework","CrystEngComm","2008","10","11","1560","","10.1039/b805628e","","","0.71069","MoKα","","0.1124","0.0786","","","0.1943","0.2224","","","","","","1.022","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7202152","31.59","0.03","17.867","0.011","22.1","0.02","90","","134.057","0.017","90","","8964","13","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H44 N2 Na2 O28.5 S4 Tb -","- C32 H23 N2 Na2 O28.5 S4 Tb -","- C256 H184 N16 Na16 O228 S32 Tb8 -","8","1","","Zheng, Guoli; Zhang, Feng; Li, Yinyan; Zhang, Hongjie","Guest inducing p-sulfonatocalix[4]arene into three-dimensional capsule architecture and a mixed A‒B double layer framework","CrystEngComm","2008","10","11","1560","","10.1039/b805628e","","","0.71073","MoKα","","0.106","0.0634","","","0.1463","0.1672","","","","","","0.978","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7202153","31.695","0.003","17.9061","0.0012","22.221","0.002","90","","133.979","0.002","90","","9074.9","1.4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H44 Eu N2 Na2 O28.5 S4 -","- C32 H23 Eu N2 Na2 O28.5 S4 -","- C256 H184 Eu8 N16 Na16 O228 S32 -","8","1","","Zheng, Guoli; Zhang, Feng; Li, Yinyan; Zhang, Hongjie","Guest inducing p-sulfonatocalix[4]arene into three-dimensional capsule architecture and a mixed A‒B double layer framework","CrystEngComm","2008","10","11","1560","","10.1039/b805628e","","","0.71073","MoKα","","0.1084","0.0597","","","0.1377","0.1622","","","","","","1.01","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7202154","10.2701","0.0013","13.3741","0.0017","14.9368","0.0019","89.016","0.002","86.975","0.002","67.753","0.002","1896.2","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H37 Cu1.5 N3 O15 -","- C35 H37 Cu1.5 N3 O15 -","- C70 H74 Cu3 N6 O30 -","2","1","","Wang, Hong; Wang, Yao-Yu; Yang, Guo-Ping; Wang, Cui-Juan; Wen, Gui-Lin; Shi, Qi-Zhen; Batten, Stuart R.","A series of intriguing metal‒organic frameworks with 3,3′,4,4′- benzophenonetetracarboxylic acid: structural adjustment and pH-dependence","CrystEngComm","2008","10","11","1583","","10.1039/b805727c","","","0.71073","MoKα","","0.1061","0.066","","","0.1916","0.2235","","","","","","1.044","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202155","34.849","0.005","13.4109","0.0015","26.387","0.003","90","","131.039","0.004","90","","9302","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C82 H90 Cu4 N8 O33 -","- C82 H90 Cu4 N8 O33 -","- C328 H360 Cu16 N32 O132 -","4","0.5","","Wang, Hong; Wang, Yao-Yu; Yang, Guo-Ping; Wang, Cui-Juan; Wen, Gui-Lin; Shi, Qi-Zhen; Batten, Stuart R.","A series of intriguing metal‒organic frameworks with 3,3′,4,4′- benzophenonetetracarboxylic acid: structural adjustment and pH-dependence","CrystEngComm","2008","10","11","1583","","10.1039/b805727c","","","0.71073","MoKα","","0.2289","0.0827","","","0.2106","0.227","","","","","","0.869","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202156","15.9854","0.0015","6.1864","0.0006","16.4143","0.0016","90","","102.642","0.001","90","","1583.9","0.3","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C14.5 H16 Mn N O8 -","- C14.5 H16 Mn N O8 -","- C58 H64 Mn4 N4 O32 -","4","1","","Wang, Hong; Wang, Yao-Yu; Yang, Guo-Ping; Wang, Cui-Juan; Wen, Gui-Lin; Shi, Qi-Zhen; Batten, Stuart R.","A series of intriguing metal‒organic frameworks with 3,3′,4,4′- benzophenonetetracarboxylic acid: structural adjustment and pH-dependence","CrystEngComm","2008","10","11","1583","","10.1039/b805727c","","","0.71073","MoKα","","0.0562","0.0399","","","0.0936","0.1043","","","","","","1.118","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202157","15.9043","0.0013","6.1361","0.0005","16.1034","0.0014","90","","102.51","0.001","90","","1534.2","0.2","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C14.5 H15 Co N O8 -","- C14.5 H15 Co N O8 -","- C58 H60 Co4 N4 O32 -","4","1","","Wang, Hong; Wang, Yao-Yu; Yang, Guo-Ping; Wang, Cui-Juan; Wen, Gui-Lin; Shi, Qi-Zhen; Batten, Stuart R.","A series of intriguing metal‒organic frameworks with 3,3′,4,4′- benzophenonetetracarboxylic acid: structural adjustment and pH-dependence","CrystEngComm","2008","10","11","1583","","10.1039/b805727c","","","0.71073","MoKα","","0.0546","0.0377","","","0.0812","0.0898","","","","","","1.063","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202158","16.0396","0.0016","6.219","0.0006","16.2606","0.0017","90","","102.787","0.001","90","","1581.8","0.3","291","2","291","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C14.5 H15 Mn N O8 -","- C14.5 H15 Mn N O8 -","- C58 H60 Mn4 N4 O32 -","4","1","","Wang, Hong; Wang, Yao-Yu; Yang, Guo-Ping; Wang, Cui-Juan; Wen, Gui-Lin; Shi, Qi-Zhen; Batten, Stuart R.","A series of intriguing metal‒organic frameworks with 3,3′,4,4′- benzophenonetetracarboxylic acid: structural adjustment and pH-dependence","CrystEngComm","2008","10","11","1583","","10.1039/b805727c","","","0.71073","MoKα","","0.0435","0.0342","","","0.083","0.0889","","","","","","1.05","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202159","24.098","0.007","11.347","0.003","9.692","0.002","90","","99.173","0.007","90","","2616.3","1.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H22 Cu N2 O10 -","- C29 H22 Cu N2 O10 -","- C116 H88 Cu4 N8 O40 -","4","0.5","","Wang, Hong; Wang, Yao-Yu; Yang, Guo-Ping; Wang, Cui-Juan; Wen, Gui-Lin; Shi, Qi-Zhen; Batten, Stuart R.","A series of intriguing metal‒organic frameworks with 3,3′,4,4′- benzophenonetetracarboxylic acid: structural adjustment and pH-dependence","CrystEngComm","2008","10","11","1583","","10.1039/b805727c","","","0.71073","MoKα","","0.0683","0.0418","","","0.0846","0.0884","","","","","","0.992","","","","has coordinates,has disorder","180352","2020-10-21","18:00:00",""
"7202160","11.2436","0.0012","15.2627","0.0016","13.0841","0.0014","90","","90","","90","","2245.3","0.4","293","2","293","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C18 H10 N6 Na2 O14 Zn2 -","- C18 H10 N6 Na2 O14 Zn2 -","- C72 H40 N24 Na8 O56 Zn8 -","4","0.25","","Sun, Wei-Wei; Yue, Qi; Cheng, Ai-Ling; Gao, En-Qing","Supramolecular networks assembled from binuclear complexes with pyridazine-3,6-dicarboxylate","CrystEngComm","2008","10","10","1384","","10.1039/b805832f","","","0.71073","MoKα","","0.0619","0.0565","","","0.1262","0.1302","","","","","","1.11","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202161","10.72","0.003","15.228","0.005","13.331","0.004","90","","90","","90","","2176.2","1.1","293","2","293","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C18 H6 K2 Mn2 N6 O12 -","- C18 H6 K2 Mn2 N6 O12 -","- C72 H24 K8 Mn8 N24 O48 -","4","0.25","","Sun, Wei-Wei; Yue, Qi; Cheng, Ai-Ling; Gao, En-Qing","Supramolecular networks assembled from binuclear complexes with pyridazine-3,6-dicarboxylate","CrystEngComm","2008","10","10","1384","","10.1039/b805832f","","","0.71073","MoKα","","0.0405","0.0337","","","0.0853","0.0874","","","","","","0.982","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202162","10.7037","0.001","15.064","0.0014","13.2866","0.0016","90","","90","","90","","2142.3","0.4","273","2","273","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C18 H6 K2 N6 O12 Zn2 -","- C18 H6 K2 N6 O12 Zn2 -","- C72 H24 K8 N24 O48 Zn8 -","4","0.25","","Sun, Wei-Wei; Yue, Qi; Cheng, Ai-Ling; Gao, En-Qing","Supramolecular networks assembled from binuclear complexes with pyridazine-3,6-dicarboxylate","CrystEngComm","2008","10","10","1384","","10.1039/b805832f","","","0.71073","MoKα","","0.0285","0.0245","","","0.0648","0.068","","","","","","1.058","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202163","9.3716","0.0017","13.332","0.003","18.101","0.003","90","","101.15","0.003","90","","2218.9","0.7","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 Mn2 N8 O12 -","- C18 H14 Mn2 N8 O12 -","- C72 H56 Mn8 N32 O48 -","4","1","","Sun, Wei-Wei; Yue, Qi; Cheng, Ai-Ling; Gao, En-Qing","Supramolecular networks assembled from binuclear complexes with pyridazine-3,6-dicarboxylate","CrystEngComm","2008","10","10","1384","","10.1039/b805832f","","","0.71073","MoKα","","0.136","0.0674","","","0.1638","0.2008","","","","","","0.988","","","","has coordinates","189056","2020-10-21","18:00:00",""
"7202164","10.9117","0.0012","14.9509","0.0015","13.3255","0.0013","90","","90","","90","","2173.9","0.4","273","2","293","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C18 H14 N8 O12 Zn2 -","- C18 H14 N8 O12 Zn2 -","- C72 H56 N32 O48 Zn8 -","4","0.25","","Sun, Wei-Wei; Yue, Qi; Cheng, Ai-Ling; Gao, En-Qing","Supramolecular networks assembled from binuclear complexes with pyridazine-3,6-dicarboxylate","CrystEngComm","2008","10","10","1384","","10.1039/b805832f","","","0.71073","MoKα","","0.0859","0.0653","","","0.1506","0.1646","","","","","","1.075","","","","has coordinates","189056","2020-10-21","18:00:00",""
"7202165","9.5936","0.0017","13.01","0.002","18.569","0.003","90","","101.359","0.002","90","","2272.3","0.6","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H10 Mn2 N6 Na2 O14 -","- C18 H10 Mn2 N6 Na2 O14 -","- C72 H40 Mn8 N24 Na8 O56 -","4","1","","Sun, Wei-Wei; Yue, Qi; Cheng, Ai-Ling; Gao, En-Qing","Supramolecular networks assembled from binuclear complexes with pyridazine-3,6-dicarboxylate","CrystEngComm","2008","10","10","1384","","10.1039/b805832f","","","0.71073","MoKα","","0.0941","0.061","","","0.1517","0.1746","","","","","","1.045","","","","has coordinates","189056","2020-10-21","18:00:00",""
"7202166","7.511","0.0005","8.0199","0.0007","11.8111","0.0011","109.71","0.008","93.471","0.007","99.1","0.006","656.37","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","dithioxamide-4,4'-bipyridyl (1/1)","dithioxamide-4,4'-bipyridyl (1/1)","","- C12 H12 N4 S2 -","- C12 H12 N4 S2 -","- C24 H24 N8 S4 -","2","1","","Piotrkowska, Barbara; Wasilewska, Aleksandra; Gdaniec, Maria; Połoński, Tadeusz","Strong N‒H⋯N hydrogen bonds and weak N‒H⋯S  C interactions in controlling the structure of the co-crystals of dithiooxamide with nitrogen heterocycles","CrystEngComm","2008","10","10","1421","","10.1039/b806061d","","","0.71073","MoKα","","0.0443","0.0379","","","0.1065","0.1117","","","","","","1.092","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202167","7.3183","0.0007","9.4645","0.0012","11.4992","0.0011","66.91","0.011","89.531","0.008","84.021","0.009","728.22","0.15","130","2","130","2","","","","","","","","4","P -1","-P 1","2","4,4'-ethane-1,2-diyldipyridine - dithiooxamide (1/1)","4,4'-ethane-1,2-diyldipyridine - dithiooxamide (1/1)","","- C14 H16 N4 S2 -","- C14 H16 N4 S2 -","- C28 H32 N8 S4 -","2","1","","Piotrkowska, Barbara; Wasilewska, Aleksandra; Gdaniec, Maria; Połoński, Tadeusz","Strong N‒H⋯N hydrogen bonds and weak N‒H⋯S  C interactions in controlling the structure of the co-crystals of dithiooxamide with nitrogen heterocycles","CrystEngComm","2008","10","10","1421","","10.1039/b806061d","","","0.71073","MoKα","","0.0558","0.0418","","","0.1079","0.1165","","","","","","1.052","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202168","7.255","0.0008","8.7786","0.0012","11.8824","0.0011","85.341","0.009","79.117","0.008","83.618","0.01","737.15","0.15","130","2","130","2","","","","","","","","4","P -1","-P 1","2","dithiooxamide - 2,7-diazapyrene (1/1)","dithiooxamide - 2,7-diazapyrene (1/1)","","- C16 H12 N4 S2 -","- C16 H12 N4 S2 -","- C32 H24 N8 S4 -","2","1","","Piotrkowska, Barbara; Wasilewska, Aleksandra; Gdaniec, Maria; Połoński, Tadeusz","Strong N‒H⋯N hydrogen bonds and weak N‒H⋯S  C interactions in controlling the structure of the co-crystals of dithiooxamide with nitrogen heterocycles","CrystEngComm","2008","10","10","1421","","10.1039/b806061d","","","0.71073","MoKα","","0.0547","0.037","","","0.0964","0.1045","","","","","","1.075","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202169","15.7292","0.0007","6.0827","0.0003","12.5292","0.0007","90","","101.511","0.006","90","","1174.63","0.1","294","2","294","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","1,4-diazabicyclo(2.2.2)octane - dithiooxamide (1/1)","1,4-diazabicyclo[2.2.2]octane - dithiooxamide (1/1)","","- C8 H16 N4 S2 -","- C8 H16 N4 S2 -","- C32 H64 N16 S8 -","4","0.5","","Piotrkowska, Barbara; Wasilewska, Aleksandra; Gdaniec, Maria; Połoński, Tadeusz","Strong N‒H⋯N hydrogen bonds and weak N‒H⋯S  C interactions in controlling the structure of the co-crystals of dithiooxamide with nitrogen heterocycles","CrystEngComm","2008","10","10","1421","","10.1039/b806061d","","","0.71073","MoKα","","0.0577","0.0442","","","0.1139","0.1256","","","","","","1.077","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202170","6.0414","0.0008","8.3514","0.0004","12.3639","0.0006","77.833","0.004","88.565","0.008","69.78","0.008","571.44","0.09","140","2","140","2","","","","","","","","4","P -1","-P 1","2","1,4-diazabicyclo(2.2.2)octane - dithiooxamide (1/1)","1,4-diazabicyclo[2.2.2]octane - dithiooxamide (1/1)","","- C8 H16 N4 S2 -","- C8 H16 N4 S2 -","- C16 H32 N8 S4 -","2","1","","Piotrkowska, Barbara; Wasilewska, Aleksandra; Gdaniec, Maria; Połoński, Tadeusz","Strong N‒H⋯N hydrogen bonds and weak N‒H⋯S  C interactions in controlling the structure of the co-crystals of dithiooxamide with nitrogen heterocycles","CrystEngComm","2008","10","10","1421","","10.1039/b806061d","","","0.71073","MoKα","","0.0506","0.0439","","","0.1307","0.1443","","","","","","1.152","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202171","9.7776","0.001","7.325","0.0007","17.6664","0.0013","90","","104.485","0.008","90","","1225.1","0.2","130","2","130","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","1,3,5,7-tetraazatricyclo(3.3.1.13,7)decane - dithiooxamide (1/1)","1,3,5,7-tetraazatricyclo[3.3.1.13,7]decane - dithiooxamide (1/1)","","- C8 H16 N6 S2 -","- C8 H16 N6 S2 -","- C32 H64 N24 S8 -","4","0.5","","Piotrkowska, Barbara; Wasilewska, Aleksandra; Gdaniec, Maria; Połoński, Tadeusz","Strong N‒H⋯N hydrogen bonds and weak N‒H⋯S  C interactions in controlling the structure of the co-crystals of dithiooxamide with nitrogen heterocycles","CrystEngComm","2008","10","10","1421","","10.1039/b806061d","","","0.71073","MoKα","","0.0309","0.0263","","","0.0733","0.0756","","","","","","1.105","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202172","10.7438","0.0009","10.022","0.0009","10.9457","0.001","90","","96.11","0.007","90","","1171.88","0.18","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","dithiooxamide-1,10-phenanthroline (1/1)","dithiooxamide-1,10-phenanthroline (1/1)","","- C26 H20 N6 S2 -","- C26 H20 N6 S2 -","- C52 H40 N12 S4 -","2","0.5","","Piotrkowska, Barbara; Wasilewska, Aleksandra; Gdaniec, Maria; Połoński, Tadeusz","Strong N‒H⋯N hydrogen bonds and weak N‒H⋯S  C interactions in controlling the structure of the co-crystals of dithiooxamide with nitrogen heterocycles","CrystEngComm","2008","10","10","1421","","10.1039/b806061d","","","0.71073","MoKα","","0.0575","0.0487","","","0.1359","0.1467","","","","","","1.122","","","","has coordinates,has disorder","180352","2020-10-21","18:00:00",""
"7202173","21.8959","0.0006","13.8979","0.0003","13.7164","0.0003","90","","90","","90","","4174","0.17","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","phosphatocobalt(iii) Bipyridine-glycoluril complex","","","- C28 H24 Co N12 O10 P -","- C28 H24 Co N12 O10 P -","- C112 H96 Co4 N48 O40 P4 -","4","1","","Kumbhar, Avinash S.; Deshpande, Megha S.; Butcher, Raymond J.","Hydrogen bond directed open-framework of bis(bipyridine-glycoluril) phosphatocobalt(III) with solvent accessible void space","CrystEngComm","2008","10","11","1520","","10.1039/b806123h","","","0.71073","MoKα","","0.1042","0.0558","","","0.139","0.158","","","","","","0.926","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202175","28.581","0.002","6.16","0.0005","14.2146","0.0011","90","","97.441","0.001","90","","2481.5","0.3","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C30 H31 N O4 -","- C30 H31 N O4 -","- C120 H124 N4 O16 -","4","1","","Imai, Yoshitane; Nagasaki, Keiko; Murata, Katuzo; Kawaguchi, Kakuhiro; Harada, Takunori; Nakano, Yoko; Sato, Tomohiro; Fujiki, Michiya; Kuroda, Reiko; Matsubara, Yoshio","Multiple molecular response columnar host system composed of rac-2-amino-1,2-diphenylethanol and 1-fluorenecarboxylic acid","CrystEngComm","2008","10","8","951","","10.1039/b806188m","","","0.71073","MoKα","","0.0486","0.0429","","","0.1016","0.1146","","","","","","1.114","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202176","13.9729","0.0015","6.1709","0.0007","29.952","0.003","90","","94.452","0.002","90","","2574.8","0.5","130","2","130","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H33 N O4 -","- C31 H33 N O4 -","- C124 H132 N4 O16 -","4","1","","Imai, Yoshitane; Nagasaki, Keiko; Murata, Katuzo; Kawaguchi, Kakuhiro; Harada, Takunori; Nakano, Yoko; Sato, Tomohiro; Fujiki, Michiya; Kuroda, Reiko; Matsubara, Yoshio","Multiple molecular response columnar host system composed of rac-2-amino-1,2-diphenylethanol and 1-fluorenecarboxylic acid","CrystEngComm","2008","10","8","951","","10.1039/b806188m","","","0.71073","MoKα","","0.1083","0.0662","","","0.1398","0.1632","","","","","","1.092","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202177","16.495","0.0013","6.2388","0.0005","26.4","0.002","90","","104.201","0.001","90","","2633.8","0.4","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H35 N O4 -","- C32 H35 N O4 -","- C128 H140 N4 O16 -","4","1","","Imai, Yoshitane; Nagasaki, Keiko; Murata, Katuzo; Kawaguchi, Kakuhiro; Harada, Takunori; Nakano, Yoko; Sato, Tomohiro; Fujiki, Michiya; Kuroda, Reiko; Matsubara, Yoshio","Multiple molecular response columnar host system composed of rac-2-amino-1,2-diphenylethanol and 1-fluorenecarboxylic acid","CrystEngComm","2008","10","8","951","","10.1039/b806188m","","","0.71073","MoKα","","0.0885","0.0692","","","0.1487","0.1606","","","","","","1.015","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202180","13.9955","0.001","24.0892","0.0019","21.0625","0.0016","90","","96.991","0.002","90","","7048.2","0.9","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C90 H120 Ag4 Cu12 N68 O40 S2 -","- C90 H116 Ag4 Cu12 N68 O40 S2 -","- C180 H232 Ag8 Cu24 N136 O80 S4 -","2","0.5","","Zheng, Ling-Ling; Leng, Ji-Dong; Zheng, Shao-Liang; Zhaxi, Yong-Cuo; Zhang, Wei-Xiong; Tong, Ming-Liang","Engineering delocalizing π electronic [CuII3(μ3-OH)(μ-pz)3]2+ species into organometallic frameworks by Ag-π coordination","CrystEngComm","2008","10","10","1467","","10.1039/b806202a","","","0.71073","MoKα","","0.1188","0.0754","","","0.1622","0.1841","","","","","","1.025","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202181","26.864","0.003","17.8115","0.0018","16.4104","0.0016","90","","121.659","0.002","90","","6683.7","1.2","123","2","123","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H28 Ag Cl3 Cu3 N12 O16 -","- C18 H28 Ag Cl3 Cu3 N12 O16 -","- C144 H224 Ag8 Cl24 Cu24 N96 O128 -","8","1","","Zheng, Ling-Ling; Leng, Ji-Dong; Zheng, Shao-Liang; Zhaxi, Yong-Cuo; Zhang, Wei-Xiong; Tong, Ming-Liang","Engineering delocalizing π electronic [CuII3(μ3-OH)(μ-pz)3]2+ species into organometallic frameworks by Ag-π coordination","CrystEngComm","2008","10","10","1467","","10.1039/b806202a","","","0.71073","MoKα","","0.0489","0.0385","","","0.085","0.0896","","","","","","1.018","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202182","22.05","0.003","11.7652","0.0013","46.352","0.006","90","","94.643","0.002","90","","11985","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H52.5 Cu6 N26.5 O14.5 S -","- C38 H52.5 Cu6 N26.5 O14.5 S -","- C304 H420 Cu48 N212 O116 S8 -","8","1","","Zheng, Ling-Ling; Leng, Ji-Dong; Zheng, Shao-Liang; Zhaxi, Yong-Cuo; Zhang, Wei-Xiong; Tong, Ming-Liang","Engineering delocalizing π electronic [CuII3(μ3-OH)(μ-pz)3]2+ species into organometallic frameworks by Ag-π coordination","CrystEngComm","2008","10","10","1467","","10.1039/b806202a","","","0.71073","MoKα","","0.0919","0.0565","","","0.1317","0.1475","","","","","","1.03","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202183","13.936","0.003","11.642","0.002","12.09","0.002","90","","108.27","0.03","90","","1862.6","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C5 H9 Mg N2 O7.5 -","- C5 H9 Mg N2 O7.5 -","- C40 H72 Mg8 N16 O60 -","8","1","","Zhong, Rui-Qin; Zou, Ru-Qiang; Du, Miao; Takeichi, Nobuhiko; Xu, Qiang","Observation of helical water chains reversibly inlayed in magnesium imidazole-4,5-dicarboxylate","CrystEngComm","2008","10","9","1175","","10.1039/b806210m","","","0.71073","MoKα","","0.0309","0.0291","","","0.0852","0.0866","","","","","","1.064","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202184","9.8622","0.0003","10.0043","0.0002","14.8619","0.0004","83.738","0.001","83.711","0.003","80.314","0.002","1430.58","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H18 Cd2 N10 O8 -","- C28 H18 Cd2 N10 O8 -","- C56 H36 Cd4 N20 O16 -","2","1","","Liu, Wenlong; Ye, Lihua; Liu, Xinfang; Yuan, Limin; Jiang, Jiaxun; Yan, Chaoguo","Hydrothermal syntheses, structures and luminescent properties of d10 metal‒organic frameworks based on rigid 3,3′,5,5′-azobenzenetetracarboxylic acid","CrystEngComm","2008","10","10","1395","","10.1039/b806360e","","","0.71073","MoKα","","0.0591","0.0385","","","0.075","0.0774","","","","","","1.006","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202185","21.9618","0.0017","13.7136","0.0011","16.205","0.002","90","","128.842","0.001","90","","3801.4","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C80 H52 Cd4 N12 O20 -","- C80 H52 Cd4 N12 O20 -","- C160 H104 Cd8 N24 O40 -","2","0.25","","Liu, Wenlong; Ye, Lihua; Liu, Xinfang; Yuan, Limin; Jiang, Jiaxun; Yan, Chaoguo","Hydrothermal syntheses, structures and luminescent properties of d10 metal‒organic frameworks based on rigid 3,3′,5,5′-azobenzenetetracarboxylic acid","CrystEngComm","2008","10","10","1395","","10.1039/b806360e","","","0.71073","MoKα","","0.0373","0.0336","","","0.0996","0.1043","","","","","","1.038","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202186","20.978","0.0003","13.1721","0.0002","16.6474","0.0004","90","","129.015","0.002","90","","3574.18","0.15","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C80 H48 N12 O18 Zn4 -","- C80 H48 N12 O18 Zn4 -","- C160 H96 N24 O36 Zn8 -","2","0.25","","Liu, Wenlong; Ye, Lihua; Liu, Xinfang; Yuan, Limin; Jiang, Jiaxun; Yan, Chaoguo","Hydrothermal syntheses, structures and luminescent properties of d10 metal‒organic frameworks based on rigid 3,3′,5,5′-azobenzenetetracarboxylic acid","CrystEngComm","2008","10","10","1395","","10.1039/b806360e","","","0.71073","MoKα","","0.0701","0.0516","","","0.1248","0.129","","","","","","1.022","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202187","30.264","0.004","5.8069","0.0007","21.163","0.003","90","","112.15","0.001","90","","3444.7","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H28 N6 O10 Zn3 -","- C36 H28 N6 O10 Zn3 -","- C144 H112 N24 O40 Zn12 -","4","0.5","","Liu, Wenlong; Ye, Lihua; Liu, Xinfang; Yuan, Limin; Jiang, Jiaxun; Yan, Chaoguo","Hydrothermal syntheses, structures and luminescent properties of d10 metal‒organic frameworks based on rigid 3,3′,5,5′-azobenzenetetracarboxylic acid","CrystEngComm","2008","10","10","1395","","10.1039/b806360e","","","0.71073","MoKα","","0.0596","0.0463","","","0.1063","0.1095","","","","","","1.045","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202188","16.0657","0.0011","16.0657","0.0011","7.772","0.0004","90","","90","","120","","1737.25","0.19","213","2","213","2","","","","","","","","7","P 63/m c m","-P 6c 2","193","Copper(ii) Fluorophosphate 1:3 Complex with 1,4-bi(1,2,4- triazol-4-yl)benzene","Copper(II) Fluorophosphate 1:3 Complex with 1,4-bi(1,2,4-triazol-4-yl)benzene","","- C30 H24 Cu F N18 O3 P -","- C30 H24 Cu N18 O4 P -","- C60 H48 Cu2 N36 O8 P2 -","2","0.0833333","","Bondar, Oksana A.; Lukashuk, Liliana V.; Lysenko, Andrey B.; Krautscheid, Harald; Rusanov, Eduard B.; Chernega, Alexander N.; Domasevitch, Konstantin V.","New microporous copper(II) coordination polymers based upon bifunctional 1,2,4-triazole/tetrazolate bridges","CrystEngComm","2008","10","9","1216","","10.1039/b806671j","","","0.71073","MoKα","","0.0597","0.0472","","","0.1188","0.1231","","","","","","0.939","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202189","24.66","0.0018","15.8459","0.0008","7.7808","0.0005","90","","95.485","0.008","90","","3026.5","0.3","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Copper(ii) Nitrate 2:5 Complex with 1,4-bi(1,2,4-triazol-4- yl)benzene, Dihydrate","Copper(II) Nitrate 2:5 Complex with 1,4-bi(1,2,4-triazol-4-yl)benzene, Dihydrate","","- C50 H44 Cu2 N34 O14 -","- C50 H40 Cu2 N34 O14 -","- C100 H80 Cu4 N68 O28 -","2","0.5","","Bondar, Oksana A.; Lukashuk, Liliana V.; Lysenko, Andrey B.; Krautscheid, Harald; Rusanov, Eduard B.; Chernega, Alexander N.; Domasevitch, Konstantin V.","New microporous copper(II) coordination polymers based upon bifunctional 1,2,4-triazole/tetrazolate bridges","CrystEngComm","2008","10","9","1216","","10.1039/b806671j","","","0.71073","MoKα","","0.0952","0.0467","","","0.1082","0.1151","","","","","","0.812","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202190","28.331","0.003","16.147","0.0012","7.176","0.0009","90","","90","","90","","3282.7","0.6","213","2","213","2","","","","","","","","6","C m c m","-C 2c 2","63","Copper(ii) Chloride 1:2 Complex with 1,4-bi(1,2,4-triazol-4- yl)benzene, Dodecahydrate","Copper(II) Chloride 1:2 Complex with 1,4-bi(1,2,4-triazol-4-yl)benzene, Dodecahydrate","","- C20 H40 Cl2 Cu N12 O12 -","- C20 H16 Cl2 Cu N12 O3 -","- C80 H64 Cl8 Cu4 N48 O12 -","4","0.25","","Bondar, Oksana A.; Lukashuk, Liliana V.; Lysenko, Andrey B.; Krautscheid, Harald; Rusanov, Eduard B.; Chernega, Alexander N.; Domasevitch, Konstantin V.","New microporous copper(II) coordination polymers based upon bifunctional 1,2,4-triazole/tetrazolate bridges","CrystEngComm","2008","10","9","1216","","10.1039/b806671j","","","0.71073","MoKα","","0.0471","0.037","","","0.0968","0.099","","","","","","1.013","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202191","28.449","0.003","15.7732","0.0017","7.2593","0.0007","90","","90","","90","","3257.5","0.6","213","2","213","2","","","","","","","","6","C m c m","-C 2c 2","63","Copper(ii) Bromide 1:2 Complex with 1,4-bi(1,2,4-triazol-4- yl)benzene, Dodecahydrate","Copper(II) Bromide 1:2 Complex with 1,4-bi(1,2,4-triazol-4-yl)benzene, Dodecahydrate","","- C20 H40 Br2 Cu N12 O12 -","- C20 H16 Br2 Cu N12 O3 -","- C80 H64 Br8 Cu4 N48 O12 -","4","0.25","","Bondar, Oksana A.; Lukashuk, Liliana V.; Lysenko, Andrey B.; Krautscheid, Harald; Rusanov, Eduard B.; Chernega, Alexander N.; Domasevitch, Konstantin V.","New microporous copper(II) coordination polymers based upon bifunctional 1,2,4-triazole/tetrazolate bridges","CrystEngComm","2008","10","9","1216","","10.1039/b806671j","","","0.71073","MoKα","","0.0963","0.074","","","0.1876","0.1989","","","","","","0.969","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202192","13.3427","0.0011","13.4047","0.0012","13.562","0.0012","102.339","0.002","104.369","0.001","90.477","0.001","2290.6","0.3","213","2","213","2","","","","","","","","7","P -1","-P 1","2","Dihydroxo Tetracopper(ii) Triflate Complex with 1,4-bi(1,2,4- triazol-4-yl)benzene, Dodecahydrate","Dihydroxo Tetracopper(II) Triflate Complex with 1,4-bi(1,2,4-triazol-4-yl)benzene, Dodecahydrate","","- C56 H66 Cu4 F18 N30 O32 S6 -","- C56 H50 Cu4 F18 N30 O32 S6 -","- C56 H50 Cu4 F18 N30 O32 S6 -","1","0.5","","Bondar, Oksana A.; Lukashuk, Liliana V.; Lysenko, Andrey B.; Krautscheid, Harald; Rusanov, Eduard B.; Chernega, Alexander N.; Domasevitch, Konstantin V.","New microporous copper(II) coordination polymers based upon bifunctional 1,2,4-triazole/tetrazolate bridges","CrystEngComm","2008","10","9","1216","","10.1039/b806671j","","","0.71073","MoKα","","0.0828","0.0657","","","0.1404","0.1449","","","","","","1.163","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202193","5.1275","0.0004","16.3726","0.0011","10.8005","0.0009","90","","99.531","0.01","90","","894.19","0.12","213","2","213","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Dihydroxo Tricopper(ii) Sulfate Complex with 1,4-bi(1,2,4- triazol-4-yl)benzene, Dihydrate","Dihydroxo Tricopper(II) Sulfate Complex with 1,4-bi(1,2,4-triazol-4-yl)benzene, Dihydrate","","- C10 H14 Cu3 N6 O12 S2 -","- C10 H14 Cu3 N6 O12 S2 -","- C20 H28 Cu6 N12 O24 S4 -","2","0.5","","Bondar, Oksana A.; Lukashuk, Liliana V.; Lysenko, Andrey B.; Krautscheid, Harald; Rusanov, Eduard B.; Chernega, Alexander N.; Domasevitch, Konstantin V.","New microporous copper(II) coordination polymers based upon bifunctional 1,2,4-triazole/tetrazolate bridges","CrystEngComm","2008","10","9","1216","","10.1039/b806671j","","","0.71073","MoKα","","0.0276","0.0251","","","0.0718","0.0727","","","","","","1.058","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202194","7.1442","0.0004","19.4387","0.0015","17.3114","0.0012","90","","90","","90","","2404.1","0.3","291","2","291","2","","","","","","","","6","P n m a","-P 2ac 2n","62","Copper(ii) Sulfate Complex with 1,4-bi(1,2,4-triazol-4- yl)benzene, Hexahydrate","Copper(II) Sulfate Complex with 1,4-bi(1,2,4-triazol-4-yl)benzene, Hexahydrate","","- C10 H20 Cu N6 O10 S -","- C10 H8 Cu N6 O10 S -","- C40 H32 Cu4 N24 O40 S4 -","4","0.5","","Bondar, Oksana A.; Lukashuk, Liliana V.; Lysenko, Andrey B.; Krautscheid, Harald; Rusanov, Eduard B.; Chernega, Alexander N.; Domasevitch, Konstantin V.","New microporous copper(II) coordination polymers based upon bifunctional 1,2,4-triazole/tetrazolate bridges","CrystEngComm","2008","10","9","1216","","10.1039/b806671j","","","0.71073","MoKα","","0.0557","0.0438","","","0.113","0.1171","","","","","","0.994","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202195","25.822","0.002","7.7119","0.0007","25.1892","0.0019","90","","90","","90","","5016.1","0.7","173","2","173","2","","","","","","","","6","C m c m","-C 2c 2","63","Tris(5-(4-(1,2,4-triazol-4-yl)phenyl)tetrazolato) dicopper(ii) Chloride, Dodecahydrate","Tris[5-(4-(1,2,4-triazol-4-yl)phenyl)tetrazolato] dicopper(II) Chloride, Dodecahydrate","","- C27 H42 Cl Cu2 N21 O12 -","- C28 H18 Cl Cu2 N20 O5 -","- C112 H72 Cl4 Cu8 N80 O20 -","4","0.25","","Bondar, Oksana A.; Lukashuk, Liliana V.; Lysenko, Andrey B.; Krautscheid, Harald; Rusanov, Eduard B.; Chernega, Alexander N.; Domasevitch, Konstantin V.","New microporous copper(II) coordination polymers based upon bifunctional 1,2,4-triazole/tetrazolate bridges","CrystEngComm","2008","10","9","1216","","10.1039/b806671j","","","0.71073","MoKα","","0.0612","0.0431","","","0.1226","0.1302","","","","","","1.047","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202198","7.9626","0.001","8.0241","0.001","8.1598","0.001","108.788","0.003","111.666","0.002","99.606","0.003","433.83","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C3 H8 Cl3 N2 O2 Re0.5 -","- C3 H8 Cl3 N2 O2 Re0.5 -","- C6 H16 Cl6 N4 O4 Re -","2","1","","Martínez-Lillo, J.; Armentano, D.; De Munno, G.; Marino, N.; Lloret, F.; Julve, M.; Faus, J.","A self-assembled tetrameric water cluster stabilized by the hexachlororhenate(IV) anion and diprotonated 2,2′-biimidazole: X-ray structure and magnetic properties","CrystEngComm","2008","10","10","1284","","10.1039/b806729e","","","0.71073","MoKα","","0.0122","0.0122","","","0.0312","0.0312","","","","","","1.117","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202199","44.405","0.003","10.6645","0.0007","17.5239","0.0012","90","","90","","90","","8298.6","1","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C34 H30 Cu2 I4 N2 O10 -","- C34 H30 Cu2 I4 N2 O10 -","- C272 H240 Cu16 I32 N16 O80 -","8","0.5","","Smart, Paul; Espallargas, Guillermo Mínguez; Brammer, Lee","Competition between coordination network and halogen bond network formation: towards halogen-bond functionalised network materials using copper-iodobenzoate units","CrystEngComm","2008","10","10","1335","","10.1039/b806765a","","","0.71073","MoKα","","0.0236","0.023","","","0.0584","0.0586","","","","","","1.123","","","","has coordinates","180352","2020-10-21","18:00:00",""
"7202200","10.391","0.003","11.641","0.003","13.688","0.003","76.709","0.009","79.697","0.009","67.849","0.008","1484.6","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H64 Cu2 I4 O20 -","- C52 H64 Cu2 I4 O20 -","- C52 H64 Cu2 I4 O20 -","1","0.5","","Smart, Paul; Espallargas, Guillermo Mínguez; Brammer, Lee","Competition between coordination network and halogen bond network formation: towards halogen-bond functionalised network materials using copper-iodobenzoate units","CrystEngComm","2008","10","10","1335","","10.1039/b806765a","","","0.71073","MoKα","","0.0354","0.0272","","","0.0598","0.0634","","","","","","1.006","","","","has coordinates,has disorder","180353","2020-10-21","18:00:00",""
"7202201","9.66","0.0019","10.26","0.002","12.929","0.009","92.82","0.04","103.47","0.04","117.75","0.03","1084.2","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H40 Cu2 I4 N4 O8 -","- C40 H40 Cu2 I4 N4 O8 -","- C40 H40 Cu2 I4 N4 O8 -","1","0.5","","Smart, Paul; Espallargas, Guillermo Mínguez; Brammer, Lee","Competition between coordination network and halogen bond network formation: towards halogen-bond functionalised network materials using copper-iodobenzoate units","CrystEngComm","2008","10","10","1335","","10.1039/b806765a","","","0.71073","MoKα","","0.0458","0.0336","","","0.0788","0.0844","","","","","","1.016","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202202","7.8103","0.0017","15.217","0.004","16.61","0.004","111.145","0.003","91.219","0.002","96.167","0.002","1826.7","0.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C63.33 H42.67 Cl2.67 Cu3 I6 N4 O12 -","- C63.36 H42.72 Cl2.72 Cu3 I6 N4 O12 -","- C63.36 H42.72 Cl2.72 Cu3 I6 N4 O12 -","1","0.5","","Smart, Paul; Espallargas, Guillermo Mínguez; Brammer, Lee","Competition between coordination network and halogen bond network formation: towards halogen-bond functionalised network materials using copper-iodobenzoate units","CrystEngComm","2008","10","10","1335","","10.1039/b806765a","","","0.7848","synchrotron","","0.1564","0.1111","","","0.2689","0.3037","","","","","","1.051","","","","has coordinates,has disorder","180353","2020-10-21","18:00:00",""
"7202203","9.8652","0.0004","14.8494","0.0006","15.1177","0.0006","60.804","0.0004","87.3393","0.0004","86.8946","0.0004","1929.93","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H56 Cu3 I6 N4 O14 -","- C76 H56 Cu3 I6 N4 O14 -","- C76 H56 Cu3 I6 N4 O14 -","1","0.5","","Smart, Paul; Espallargas, Guillermo Mínguez; Brammer, Lee","Competition between coordination network and halogen bond network formation: towards halogen-bond functionalised network materials using copper-iodobenzoate units","CrystEngComm","2008","10","10","1335","","10.1039/b806765a","","","0.7977","synchrotron","","0.0648","0.0569","","","0.1464","0.1532","","","","","","1.058","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202204","7.9727","0.0017","22.654","0.005","8.7259","0.0019","90","","105.636","0.002","90","","1517.7","0.6","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H28 Cu I2 N2 O5 -","- C33 H28 Cu I2 N2 O5 -","- C66 H56 Cu2 I4 N4 O10 -","2","1","","Smart, Paul; Espallargas, Guillermo Mínguez; Brammer, Lee","Competition between coordination network and halogen bond network formation: towards halogen-bond functionalised network materials using copper-iodobenzoate units","CrystEngComm","2008","10","10","1335","","10.1039/b806765a","","","0.671","synchrotron","","0.0573","0.0527","","","0.1336","0.1361","","","","","","1.077","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202205","13.3056","0.0007","12.9652","0.0007","23.8435","0.0013","90","","105.518","0.001","90","","3963.3","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C78 H60 Cu3 I6 N6 O12 -","- C78 H60 Cu3 I6 N6 O12 -","- C156 H120 Cu6 I12 N12 O24 -","2","0.5","","Smart, Paul; Espallargas, Guillermo Mínguez; Brammer, Lee","Competition between coordination network and halogen bond network formation: towards halogen-bond functionalised network materials using copper-iodobenzoate units","CrystEngComm","2008","10","10","1335","","10.1039/b806765a","","","0.671","sYNCHROTRON","","0.0829","0.0521","","","0.1263","0.144","","","","","","1.021","","","","has coordinates,has disorder","180353","2020-10-21","18:00:00",""
"7202206","9.4822","0.0009","16.0485","0.0014","8.9732","0.0008","90","","90","","90","","1365.5","0.2","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C7 H9 Cu2 N10 Na -","- C7 H9 Cu2 N10 Na -","- C28 H36 Cu8 N40 Na4 -","4","0.5","","Li, Zhen; Li, Mian; Zhan, Shun-Ze; Huang, Xiao-Chun; Ng, Seik Weng; Li, Dan","Pcuversuslim nets: topological variation of cyano-bridged copper(I)-tetrazole coordination frameworks caused by Cu2(azole)2-SBU versatility","CrystEngComm","2008","10","8","978","","10.1039/b806768f","","","0.71073","MoKα","","0.0343","0.0289","","","0.0765","0.08","","","","","","1.018","","","","has coordinates,has disorder","180353","2020-10-21","18:00:00",""
"7202207","12.67","0.002","3.9209","0.0007","15.407","0.003","90","","100.995","0.003","90","","751.3","0.2","294","2","294","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C7 H9 Cu4 N11 O -","- C7 H9 Cu4 N11 O -","- C14 H18 Cu8 N22 O2 -","2","0.5","","Li, Zhen; Li, Mian; Zhan, Shun-Ze; Huang, Xiao-Chun; Ng, Seik Weng; Li, Dan","Pcuversuslim nets: topological variation of cyano-bridged copper(I)-tetrazole coordination frameworks caused by Cu2(azole)2-SBU versatility","CrystEngComm","2008","10","8","978","","10.1039/b806768f","","","0.71073","MoKα","","0.0304","0.0275","","","0.0773","0.0792","","","","","","1.057","","","","has coordinates,has disorder","180353","2020-10-21","18:00:00",""
"7202208","5.2392","0.0005","8.8344","0.0009","11.552","0.0013","94.526","0.008","95.701","0.007","91.302","0.008","530.13","0.1","153","2","153","2","","","","","","","","5","P -1","-P 1","2","trans-4,4'-azobipyridine. 1,1,2,2,3,3,4,4,5,5,6,6- dodecafluoro-1,8-diiodooctane","trans-4,4'-azobipyridine. 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1,8-diiodooctane","","- C16 H8 F12 I2 N4 -","- C16 H8 F12 I2 N4 -","- C16 H8 F12 I2 N4 -","1","0.5","","Fox, David; Metrangolo, Pierangelo; Pasini, Dario; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo","Site-selective supramolecular synthesis of halogen-bonded cocrystals incorporating the photoactive azo group","CrystEngComm","2008","10","9","1132","","10.1039/b806911e","","","0.71073","MoKα","","0.0325","0.0315","","","0.0807","0.0813","","","","","","1.121","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202209","5.2482","0.0007","8.6925","0.0014","13.289","0.002","84.316","0.007","86.245","0.007","88.241","0.008","601.79","0.16","153","2","153","2","","","","","","","","5","P -1","-P 1","2","trans-4,4'-azobipyridine 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8- hexadecafluoro-1,8-diiodooctane","trans-4,4'-azobipyridine 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-1,8-diiodooctane","","- C18 H8 F16 I2 N4 -","- C18 H8 F16 I2 N4 -","- C18 H8 F16 I2 N4 -","1","0.5","","Fox, David; Metrangolo, Pierangelo; Pasini, Dario; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo","Site-selective supramolecular synthesis of halogen-bonded cocrystals incorporating the photoactive azo group","CrystEngComm","2008","10","9","1132","","10.1039/b806911e","","","0.71073","MoKα","","0.0278","0.0249","","","0.0628","0.0642","","","","","","1.067","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202210","16.106","0.003","16.126","0.003","19.511","0.004","90","","96.37","0.03","90","","5036.2","1.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H20 N8 Zn2 -","- C28 H20 N8 Zn2 -","- C224 H160 N64 Zn16 -","8","1","","Yang, Qing-Feng; Cui, Xiao-Bing; Yu, Jie-Hui; Lu, Jing; Yu, Xiao-Yang; Zhang, Xiao; Xu, Ji-Qing; Hou, Qin; Wang, Tie-Gang","A series of metal‒organic complexes constructed from in situ generated organic amines","CrystEngComm","2008","10","11","1534","","10.1039/b806980h","","","0.71073","MoKα","","0.0936","0.0432","","","0.1158","0.1477","","","","","","0.998","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202211","9.118","0.002","12.765","0.003","13.366","0.003","66.445","0.004","72.416","0.004","80.184","0.004","1357.2","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H20.67 Cd N8 O4.33 S -","- C28 H20 Cd N8 O4.33 S -","- C56 H40 Cd2 N16 O8.66 S2 -","2","1","","Yang, Qing-Feng; Cui, Xiao-Bing; Yu, Jie-Hui; Lu, Jing; Yu, Xiao-Yang; Zhang, Xiao; Xu, Ji-Qing; Hou, Qin; Wang, Tie-Gang","A series of metal‒organic complexes constructed from in situ generated organic amines","CrystEngComm","2008","10","11","1534","","10.1039/b806980h","","","0.71073","MoKα","","0.056","0.0493","","","0.1117","0.1167","","","","","","1.107","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202212","12.899","0.003","19.526","0.004","25.889","0.005","90","","94.64","0.03","90","","6499","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C70 H48 Cl2 Co2 N20 -","- C70 H48 Cl2 Co2 N20 -","- C280 H192 Cl8 Co8 N80 -","4","0.5","","Yang, Qing-Feng; Cui, Xiao-Bing; Yu, Jie-Hui; Lu, Jing; Yu, Xiao-Yang; Zhang, Xiao; Xu, Ji-Qing; Hou, Qin; Wang, Tie-Gang","A series of metal‒organic complexes constructed from in situ generated organic amines","CrystEngComm","2008","10","11","1534","","10.1039/b806980h","","","0.71073","MoKα","","0.1804","0.0681","","","0.1614","0.233","","","","","","0.997","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202213","12.5026","0.0011","11.8042","0.0011","9.3038","0.0009","90","","99.637","0.002","90","","1353.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Co N4 O4 -","- C12 H10 Co N4 O4 -","- C48 H40 Co4 N16 O16 -","4","1","","Yang, Qing-Feng; Cui, Xiao-Bing; Yu, Jie-Hui; Lu, Jing; Yu, Xiao-Yang; Zhang, Xiao; Xu, Ji-Qing; Hou, Qin; Wang, Tie-Gang","A series of metal‒organic complexes constructed from in situ generated organic amines","CrystEngComm","2008","10","11","1534","","10.1039/b806980h","","","0.71073","MoKα","","0.0918","0.0627","","","0.1029","0.113","","","","","","1.087","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202214","7.334","0.0014","21.958","0.004","11.623","0.002","90","","97.677","0.004","90","","1855","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 N4 O4 Zn -","- C22 H14 N4 O4 Zn -","- C88 H56 N16 O16 Zn4 -","4","1","","Yang, Qing-Feng; Cui, Xiao-Bing; Yu, Jie-Hui; Lu, Jing; Yu, Xiao-Yang; Zhang, Xiao; Xu, Ji-Qing; Hou, Qin; Wang, Tie-Gang","A series of metal‒organic complexes constructed from in situ generated organic amines","CrystEngComm","2008","10","11","1534","","10.1039/b806980h","","","0.71073","MoKα","","0.0514","0.0441","","","0.1057","0.1088","","","","","","0.981","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202215","7.5942","0.0014","7.3317","0.0013","12.113","0.002","90","","104.339","0.004","90","","653.4","0.2","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H5 N O4 -","- C7 H5 N O4 -","- C28 H20 N4 O16 -","4","1","","Evans, Ivana Radosavljevic; Howard, Judith A. K.; Evans, John S. O.; Postlethwaite, Stella R.; Johnson, Mark R.","Polymorphism and hydrogen bonding in cinchomeronic acid: a variable temperature experimental and computational study","CrystEngComm","2008","10","10","1404","","10.1039/b807015f","","","0.71073","MoKα","","0.1027","0.0792","","0.1568","0.1504","0.1504","","","","","","0.8061","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202216","7.7185","0.0014","7.3248","0.0013","12.179","0.002","90","","103.884","0.004","90","","668.4","0.2","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H5 N O4 -","- C7 H5 N O4 -","- C28 H20 N4 O16 -","4","1","","Evans, Ivana Radosavljevic; Howard, Judith A. K.; Evans, John S. O.; Postlethwaite, Stella R.; Johnson, Mark R.","Polymorphism and hydrogen bonding in cinchomeronic acid: a variable temperature experimental and computational study","CrystEngComm","2008","10","10","1404","","10.1039/b807015f","","","0.71073","MoKα","","0.1311","0.0792","","0.1353","0.1261","0.1261","","","","","","0.7352","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202217","5.2948","0.0005","11.1107","0.0011","11.1385","0.0011","90","","90","","90","","655.27","0.11","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H5 N O4 -","- C7 H5 N O4 -","- C28 H20 N4 O16 -","4","1","","Evans, Ivana Radosavljevic; Howard, Judith A. K.; Evans, John S. O.; Postlethwaite, Stella R.; Johnson, Mark R.","Polymorphism and hydrogen bonding in cinchomeronic acid: a variable temperature experimental and computational study","CrystEngComm","2008","10","10","1404","","10.1039/b807015f","","","0.71073","MoKα","","0.0337","0.0303","","0.067","0.0663","0.0663","","","","","","0.8822","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7202218","5.26","0.002","11.201","0.005","11.275","0.005","90","","90","","90","","664.3","0.5","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H5 N O4 -","- C7 H5 N O4 -","- C28 H20 N4 O16 -","4","1","","Evans, Ivana Radosavljevic; Howard, Judith A. K.; Evans, John S. O.; Postlethwaite, Stella R.; Johnson, Mark R.","Polymorphism and hydrogen bonding in cinchomeronic acid: a variable temperature experimental and computational study","CrystEngComm","2008","10","10","1404","","10.1039/b807015f","","","0.71073","MoKα","","0.0423","0.0323","","0.066","0.0643","0.0643","","","","","","0.8776","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7202219","9.8788","0.0006","19.6459","0.0012","22.7918","0.0014","90","","101.545","0.001","90","","4333.9","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H51 N24 O18 Pr -","- C24 H51 N24 O18 Pr -","- C96 H204 N96 O72 Pr4 -","4","1","","Kostakis, George E.; Abbas, Ghulam; Anson, Christopher E.; Powell, Annie K.","A new class of 3-D porous framework: [Ln(H2O)n]3+ ions act as pillars between π-stacked and H-bonded sheets of (m-BDTH)− organic anions in [Ln(H2O)n](m-BDTH)3·9(H2O) (Ln = Pr, n = 9; Ln = Gd, n = 8)","CrystEngComm","2008","10","9","1117","","10.1039/b807028h","","","0.71073","MoKα","","0.0773","0.0526","","","0.0996","0.1098","","","","","","1.033","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202220","9.9142","0.0003","13.6521","0.0005","16.9555","0.0006","78.682","0.001","76.376","0.001","77.859","0.001","2154.31","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H49 Gd N24 O17 -","- C24 H41 Gd N24 O17 -","- C48 H82 Gd2 N48 O34 -","2","1","","Kostakis, George E.; Abbas, Ghulam; Anson, Christopher E.; Powell, Annie K.","A new class of 3-D porous framework: [Ln(H2O)n]3+ ions act as pillars between π-stacked and H-bonded sheets of (m-BDTH)− organic anions in [Ln(H2O)n](m-BDTH)3·9(H2O) (Ln = Pr, n = 9; Ln = Gd, n = 8)","CrystEngComm","2008","10","9","1117","","10.1039/b807028h","","","0.71073","MoKα","","0.0329","0.0307","","","0.0784","0.0802","","","","","","1.06","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202221","9.4587","0.0013","9.4587","0.0013","21.123","0.004","90","","90","","90","","1889.8","0.5","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C14 H10 Cd3 N4 O14 -","- C14 H10 Cd3 N4 O14 -","- C56 H40 Cd12 N16 O56 -","4","0.5","","Zhang, Jian-Yong; Yue, Qi; Jia, Qin-Xiang; Cheng, Ai-Ling; Gao, En-Qing","Syntheses, structures and luminescence properties of cadmium(II) coordination polymers with in situ formed oxalate and bis(chelating) bridging ligands","CrystEngComm","2008","10","10","1443","","10.1039/b807165a","","","0.71073","MoKα","","0.0269","0.0268","","","0.0622","0.0622","","","","","","1.27","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202222","10.391","0.003","16.868","0.005","11.273","0.003","90","","115.251","0.003","90","","1787.1","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 Cd2 N12 O5 -","- C12 H8 Cd2 N12 O5 -","- C48 H32 Cd8 N48 O20 -","4","1","","Zhang, Jian-Yong; Yue, Qi; Jia, Qin-Xiang; Cheng, Ai-Ling; Gao, En-Qing","Syntheses, structures and luminescence properties of cadmium(II) coordination polymers with in situ formed oxalate and bis(chelating) bridging ligands","CrystEngComm","2008","10","10","1443","","10.1039/b807165a","","","0.71073","MoKα","","0.0379","0.0271","","","0.0622","0.0673","","","","","","1.083","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202223","22.7592","0.0018","11.3409","0.0009","17.5006","0.0013","90","","113.104","0.001","90","","4154.8","0.6","187","2","187","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H22 Co4 N6 O16 -","- C40 H22 Co4 N6 O16 -","- C160 H88 Co16 N24 O64 -","4","0.5","","Li, Zhi-Gang; Wang, Guan-Hua; Jia, Heng-Qing; Hu, Ning-Hai; Xu, Jing-Wei; Batten, Stuart R.","Construction of coordination networks with high connectivity: a new 8-connected self-penetrating network based on tetranuclear metal clusters","CrystEngComm","2008","10","8","983","","10.1039/b807195k","","","0.71073","MoKα","","0.0301","0.0263","","","0.0662","0.0685","","","","","","1.04","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202224","22.536","0.003","11.3199","0.0013","17.57","0.002","90","","112.339","0.002","90","","4145.8","0.9","187","2","187","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H22 N6 O16 Zn4 -","- C40 H22 N6 O16 Zn4 -","- C160 H88 N24 O64 Zn16 -","4","0.5","","Li, Zhi-Gang; Wang, Guan-Hua; Jia, Heng-Qing; Hu, Ning-Hai; Xu, Jing-Wei; Batten, Stuart R.","Construction of coordination networks with high connectivity: a new 8-connected self-penetrating network based on tetranuclear metal clusters","CrystEngComm","2008","10","8","983","","10.1039/b807195k","","","0.71073","MoKα","","0.054","0.0379","","","0.0776","0.084","","","","","","1","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202227","12.086","0.0017","12.086","0.0017","12.0361","0.0019","90","","90","","90","","1758.1","0.4","173","","173","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C6 H16 N2 O3.7 -","- C6 H15.404 N2 O3.702 -","- C48 H123.232 N16 O29.616 -","8","0.5","","Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Lörting, Thomas; Schottenberger, Herwig","Hydrogen bonding in the perhydrate and hydrates of 1,4-diazabicyclo[2.2.2]octane (DABCO)","CrystEngComm","2008","10","11","1638","","10.1039/b807303a","","","0.71073","MoKα","","0.0739","0.0563","","","0.1378","0.1534","","","","","","1.084","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202228","21.822","0.004","6.2155","0.0016","10.7703","0.0018","90","","100.225","0.013","90","","1437.6","0.5","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H28 N4 O2 -","- C12 H28 N4 O2 -","- C48 H112 N16 O8 -","4","0.5","","Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Lörting, Thomas; Schottenberger, Herwig","Hydrogen bonding in the perhydrate and hydrates of 1,4-diazabicyclo[2.2.2]octane (DABCO)","CrystEngComm","2008","10","11","1638","","10.1039/b807303a","","","0.71073","MoKα","","0.0819","0.0599","","","0.1293","0.138","","","","","","1.088","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202229","12.5426","0.001","12.6014","0.0009","17.2689","0.0013","99.59","0.006","108.32","0.006","99.448","0.006","2485.6","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H24 N2 O6 -","- C6 H14 N2 O6 -","- C48 H112 N16 O48 -","8","4","","Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Lörting, Thomas; Schottenberger, Herwig","Hydrogen bonding in the perhydrate and hydrates of 1,4-diazabicyclo[2.2.2]octane (DABCO)","CrystEngComm","2008","10","11","1638","","10.1039/b807303a","","","0.71073","MoKα","","0.0718","0.0519","","","0.1201","0.1302","","","","","","1.038","","","","has coordinates,has disorder","180353","2020-10-21","18:00:00",""
"7202230","19.486","0.003","19.486","0.003","21.706","0.004","90","","90","","90","","8242","2","294","2","294","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C64 H88 Ag4 Cl4 N8 O16 S8 -","- C64 H88 Ag4 Cl4 N8 O16 S8 -","- C256 H352 Ag16 Cl16 N32 O64 S32 -","4","0.25","","Zhang, Shu-Ming; Hu, Tong-Liang; Li, Jian-Rong; Du, Jian-Long; Bu, Xian-He","Silver(I) coordination architectures with quinoxaline-based N,S-donor ligands: structures and luminescent properties","CrystEngComm","2008","10","11","1595","","10.1039/b807485b","","","0.71073","MoKα","","0.0976","0.064","","","0.1563","0.1809","","","","","","1.026","","","","has coordinates,has disorder","180353","2020-10-21","18:00:00",""
"7202231","13.094","0.003","13.318","0.003","13.684","0.003","90","","93.81","0.03","90","","2381","0.9","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 Ag2 N4 O6.5 S2 -","- C16 H22 Ag2 N4 O6.5 S2 -","- C64 H88 Ag8 N16 O26 S8 -","4","1","","Zhang, Shu-Ming; Hu, Tong-Liang; Li, Jian-Rong; Du, Jian-Long; Bu, Xian-He","Silver(I) coordination architectures with quinoxaline-based N,S-donor ligands: structures and luminescent properties","CrystEngComm","2008","10","11","1595","","10.1039/b807485b","","","0.71073","MoKα","","0.1423","0.0857","","","0.2018","0.2368","","","","","","1.069","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202232","15.712","0.0017","9.3505","0.001","18.7239","0.0019","90","","99.482","0.002","90","","2713.2","0.5","294","2","294","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C18 H26 Ag3 N5 O9 S2 -","- C18 H26 Ag3 N5 O9 S2 -","- C72 H104 Ag12 N20 O36 S8 -","4","1","","Zhang, Shu-Ming; Hu, Tong-Liang; Li, Jian-Rong; Du, Jian-Long; Bu, Xian-He","Silver(I) coordination architectures with quinoxaline-based N,S-donor ligands: structures and luminescent properties","CrystEngComm","2008","10","11","1595","","10.1039/b807485b","","","0.71073","MoKα","","0.0233","0.0219","","","0.0492","0.0499","","","","","","1.063","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202233","10.375","0.003","10.831","0.003","15.816","0.004","72.764","0.004","77.914","0.004","84.734","0.005","1659","0.8","294","2","294","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H27 Ag2 Cl2 N5 O10 S2 -","- C25 H27 Ag2 Cl2 N5 O10 S2 -","- C50 H54 Ag4 Cl4 N10 O20 S4 -","2","1","","Zhang, Shu-Ming; Hu, Tong-Liang; Li, Jian-Rong; Du, Jian-Long; Bu, Xian-He","Silver(I) coordination architectures with quinoxaline-based N,S-donor ligands: structures and luminescent properties","CrystEngComm","2008","10","11","1595","","10.1039/b807485b","","","0.71073","MoKα","","0.1354","0.058","","","0.1224","0.1601","","","","","","1.033","","","","has coordinates,has disorder","180353","2020-10-21","18:00:00",""
"7202234","8.256","0.003","14.494","0.006","13.663","0.005","90","","90","","90","","1634.9","1.1","294","2","294","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C14 H6 Ag3 Er N2 O11 -","- C14 H6 Ag3 Er N2 O11 -","- C56 H24 Ag12 Er4 N8 O44 -","4","0.5","","Zhao, B.; Zhao, X-Q.; Chen, Z.; Shi, W.; Cheng, P.; Yan, S-P.; Liao, D-Z.","Structures and near-infrared luminescence of unique 4d‒4f heterometal‒organic frameworks (HMOF)","CrystEngComm","2008","10","9","1144","","10.1039/b807491g","","","0.71073","MoKα","","0.0355","0.0281","","","0.0648","0.0689","","","","","","1.065","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202235","8.794","0.002","9.856","0.002","15.258","0.003","90","","113","0.011","90","","1217.3","0.5","294","2","294","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C21 H11 Ag3 Er N3 O13 -","- C21 H9 Ag3 Er N3 O13 -","- C42 H18 Ag6 Er2 N6 O26 -","2","0.5","","Zhao, B.; Zhao, X-Q.; Chen, Z.; Shi, W.; Cheng, P.; Yan, S-P.; Liao, D-Z.","Structures and near-infrared luminescence of unique 4d‒4f heterometal‒organic frameworks (HMOF)","CrystEngComm","2008","10","9","1144","","10.1039/b807491g","","","0.71073","MoKα","","0.0401","0.036","","","0.0919","0.0949","","","","","","1.076","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202236","20.5787","0.001","20.5787","0.001","20.5787","0.001","90","","90","","90","","8714.7","0.7","180","2","180","2","","","","","","","","6","F d -3 :2","-F 2uv 2vw 3","203","","","","- C12 H24 Cl4 Ga K O6 -","- C12 H24 Cl3.99997 Ga K O6 -","- C192 H384 Cl63.9996 Ga16 K16 O96 -","16","0.166667","","Kwok Chan, Wesley Ting; Eisler, Dana J.; Wright, Dominic S.","[{(18-crown-6)K}GaCl4]∞, a diamondoid structure templated by tetrahedral GaCl4− ions","CrystEngComm","2008","10","10","1315","","10.1039/b807523a","","","0.71073","MoKα","","0.065","0.0439","","","0.1004","0.1117","","","","","","1.1","","","","has coordinates,has disorder","180353","2020-10-21","18:00:00",""
"7202239","10.534","0.002","12.936","0.003","17.191","0.003","90","","107.77","0.03","90","","2230.8","0.9","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 N3 O2 S2 -","- C9 H9 N3 O2 S2 -","- C72 H72 N24 O16 S16 -","8","2","","Gelbrich, Thomas; Hughes, David S.; Hursthouse, Michael B.; Threlfall, Terence L.","Packing similarity in polymorphs of sulfathiazole","CrystEngComm","2008","10","10","1328","","10.1039/b807898j","","","0.71073","MoKα","","0.0646","0.04","","","0.0917","0.1016","","","","","","1.032","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202240","10.399","0.002","15.132","0.003","14.28","0.003","90","","91.21","0.03","90","","2246.6","0.8","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 N3 O2 S2 -","- C9 H9 N3 O2 S2 -","- C72 H72 N24 O16 S16 -","8","2","","Gelbrich, Thomas; Hughes, David S.; Hursthouse, Michael B.; Threlfall, Terence L.","Packing similarity in polymorphs of sulfathiazole","CrystEngComm","2008","10","10","1328","","10.1039/b807898j","","","","","","","","","","","","","","","","","","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7202241","17.448","0.003","8.498","0.002","15.511","0.003","90","","112.81","0.03","90","","2120","0.9","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 N3 O2 S2 -","- C9 H9 N3 O2 S2 -","- C72 H72 N24 O16 S16 -","8","2","","Gelbrich, Thomas; Hughes, David S.; Hursthouse, Michael B.; Threlfall, Terence L.","Packing similarity in polymorphs of sulfathiazole","CrystEngComm","2008","10","10","1328","","10.1039/b807898j","","","0.71073","MoKα","","0.1024","0.0485","","","0.0946","0.1072","","","","","","0.93","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202242","8.193","0.002","8.538","0.002","15.437","0.003","90","","94.01","0.03","90","","1077.2","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 N3 O2 S2 -","- C9 H9 N3 O2 S2 -","- C36 H36 N12 O8 S8 -","4","1","","Gelbrich, Thomas; Hughes, David S.; Hursthouse, Michael B.; Threlfall, Terence L.","Packing similarity in polymorphs of sulfathiazole","CrystEngComm","2008","10","10","1328","","10.1039/b807898j","","","0.71073","MoKα","","0.0335","0.031","","","0.0812","0.0827","","","","","","1.055","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202243","10.774","0.001","8.467","0.001","11.367","0.001","90","","91.65","0.01","90","","1036.51","0.18","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 N3 O2 S2 -","- C9 H9 N3 O2 S2 -","- C36 H36 N12 O8 S8 -","4","1","","Gelbrich, Thomas; Hughes, David S.; Hursthouse, Michael B.; Threlfall, Terence L.","Packing similarity in polymorphs of sulfathiazole","CrystEngComm","2008","10","10","1328","","10.1039/b807898j","","","0.71073","MoKα","","0.0555","0.0382","","","0.091","0.0959","","","","","","1.053","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202244","11.0989","0.0013","11.7203","0.0014","13.9843","0.0016","74.993","0.002","84.548","0.002","89.545","0.002","1748.9","0.4","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- Cr2 H72 Mo12 O78 Tm2 -","- Cr2 H40 Mo12 O78 Tm2 -","- Cr2 H40 Mo12 O78 Tm2 -","1","0.5","","Zhang, Li-Zhi; Gu, Wen; Dong, Zhili; Liu, Xin; Li, Bing","Phase transformation of a rare-earth Anderson polyoxometalate at low temperature","CrystEngComm","2008","10","10","1318","","10.1039/b808085b","","","0.71073","MoKα","","0.0539","0.0476","","","0.1293","0.1339","","","","","","1.012","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7202245","15.607","0.004","15.934","0.005","16.088","0.005","86.667","0.012","72.242","0.009","64.394","0.009","3423.3","1.8","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- Cr2 H72 Mo12 O78 Tm2 -","- Cr2 H40 Mo12 O78 Tm2 -","- Cr4 H80 Mo24 O156 Tm4 -","2","1","","Zhang, Li-Zhi; Gu, Wen; Dong, Zhili; Liu, Xin; Li, Bing","Phase transformation of a rare-earth Anderson polyoxometalate at low temperature","CrystEngComm","2008","10","10","1318","","10.1039/b808085b","","","0.7107","MoKα","","0.0747","0.0434","","","0.1073","0.1265","","","","","","1.065","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7202246","13.293","0.0004","16.1758","0.0005","18.5027","0.0006","90","","90","","90","","3978.5","0.2","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14.7 H22.1 Cl1.95 N1.35 O5.35 Zn -","- C14.7 H22.1 Cl1.95 N1.35 O5.35 Zn -","- C117.6 H176.8 Cl15.6 N10.8 O42.8 Zn8 -","8","1","","Burrows, Andrew D.; Cassar, Kevin; Mahon, Mary F.; Rigby, Sean P.; Warren, John E.","Synthesis and characterisation of metal‒organic frameworks containing bis(β-diketonate) linkers","CrystEngComm","2008","10","10","1474","","10.1039/b808350a","","","0.6934","Synchrotron","","0.0656","0.0471","","","0.124","0.1321","","","","","","1.042","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7202247","11.9762","0.001","14.2223","0.0012","15.5903","0.0014","90","","90","","90","","2655.5","0.4","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H33 Cd2 O12.5 -","- C20 H24 Cd2 O12.5 -","- C80 H96 Cd8 O50 -","4","1","","Burrows, Andrew D.; Cassar, Kevin; Mahon, Mary F.; Rigby, Sean P.; Warren, John E.","Synthesis and characterisation of metal‒organic frameworks containing bis(β-diketonate) linkers","CrystEngComm","2008","10","10","1474","","10.1039/b808350a","","","0.6934","Synchrotron","","0.0876","0.0495","","","0.0973","0.112","","","","","","1.003","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202248","16.3499","0.0013","15.4909","0.0013","42.062","0.003","90","","90","","90","","10653.2","1.4","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C41 H70 O18 S5 Zn3 -","- C41 H69 O18 S5 Zn3 -","- C328 H552 O144 S40 Zn24 -","8","1","","Burrows, Andrew D.; Cassar, Kevin; Mahon, Mary F.; Rigby, Sean P.; Warren, John E.","Synthesis and characterisation of metal‒organic frameworks containing bis(β-diketonate) linkers","CrystEngComm","2008","10","10","1474","","10.1039/b808350a","","","0.8459","","","0.1216","0.0707","","","0.1879","0.2197","","","","","","1.037","","","","has coordinates,has disorder","180353","2020-10-21","18:00:00",""
"7202249","10.47","0.003","13.926","0.003","10.476","0.003","90","","109.048","0.004","90","","1443.8","0.7","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H40 O12 Zn2 -","- C24 H38 O12 Zn2 -","- C48 H76 O24 Zn4 -","2","1","","Burrows, Andrew D.; Cassar, Kevin; Mahon, Mary F.; Rigby, Sean P.; Warren, John E.","Synthesis and characterisation of metal‒organic frameworks containing bis(β-diketonate) linkers","CrystEngComm","2008","10","10","1474","","10.1039/b808350a","","","0.6904","Synchrotron","","0.0853","0.0711","","","0.1736","0.1813","","","","","","0.985","","","","has coordinates,has disorder","180353","2020-10-21","18:00:00",""
"7202250","7.539","0.004","13.843","0.008","12.155","0.007","90","","90.19","0.009","90","","1268.5","1.2","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H32 O11 Zn2 -","- C21 H27 O11 Zn2 -","- C42 H54 O22 Zn4 -","2","1","","Burrows, Andrew D.; Cassar, Kevin; Mahon, Mary F.; Rigby, Sean P.; Warren, John E.","Synthesis and characterisation of metal‒organic frameworks containing bis(β-diketonate) linkers","CrystEngComm","2008","10","10","1474","","10.1039/b808350a","","","0.846","Synchrotron","","0.1663","0.0872","","","0.1646","0.2006","","","","","","0.973","","","","has coordinates,has disorder","180353","2020-10-21","18:00:00",""
"7202251","33.5656","0.0008","6.6676","0.0002","21.2236","0.0005","90","","126.742","0.001","90","","3806.26","0.18","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H26 Cu4 N4 O18 S -","- C38 H22 Cu4 N4 O18 S -","- C152 H88 Cu16 N16 O72 S4 -","4","0.5","","He, Haiyan; Dai, Fangna; Xie, Aiping; Tong, Xin; Sun, Daofeng","Three novel 3D metal‒organic frameworks with a 1D ladder, tube or chain as assembly units","CrystEngComm","2008","10","10","1429","","10.1039/b808373h","","","0.71073","MoKα","","0.0811","0.0606","","","0.1588","0.1718","","","","","","1.101","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202252","18.802","0.0017","8.5577","0.0008","16.0542","0.0016","90","","99.469","0.007","90","","2548","0.4","298","2","298","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","none","","","- C22 H18 Cu1.5 N2 O7.5 -","- C22 H17 Cu1.5 N2 O7.5 -","- C88 H68 Cu6 N8 O30 -","4","1","","He, Haiyan; Dai, Fangna; Xie, Aiping; Tong, Xin; Sun, Daofeng","Three novel 3D metal‒organic frameworks with a 1D ladder, tube or chain as assembly units","CrystEngComm","2008","10","10","1429","","10.1039/b808373h","","","0.71073","MoKα","","0.2326","0.0935","","","0.2151","0.2842","","","","","","1.009","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202253","14.5","0.005","18.577","0.005","15.394","0.005","90","","103.97","0.03","90","","4024","2","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C32 H41 Cd2 N5 O17 -","- C32 H25 Cd2 N5 O17 -","- C128 H100 Cd8 N20 O68 -","4","1","","He, Haiyan; Dai, Fangna; Xie, Aiping; Tong, Xin; Sun, Daofeng","Three novel 3D metal‒organic frameworks with a 1D ladder, tube or chain as assembly units","CrystEngComm","2008","10","10","1429","","10.1039/b808373h","","","0.71073","MoKα","","0.0743","0.0493","","","0.127","0.1871","","","","","","1.078","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202254","7.666","0.002","11.987","0.003","13.808","0.004","82.236","0.004","88.974","0.004","86.329","0.004","1254.6","0.6","298","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H17 Cl N7 -","- C30 H17 Cl N7 -","- C60 H34 Cl2 N14 -","2","1","","Liu, Guang-Xiang; Xu, Heng; Ren, Xiao-Ming; Sun, Wei-Yin","A series of novel ion-pair complexes based on TCNQ: syntheses, crystal structures and properties","CrystEngComm","2008","10","11","1574","","10.1039/b808390h","","","0.71073","MoKα","","0.0846","0.0671","","","0.1744","0.1942","","","","","","1.002","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202255","4.1599","0.0015","25.278","0.009","19.84","0.007","90","","90.912","0.005","90","","2086","1.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H17 Cl N5 -","- C25 H17 Cl N5 -","- C100 H68 Cl4 N20 -","4","1","","Liu, Guang-Xiang; Xu, Heng; Ren, Xiao-Ming; Sun, Wei-Yin","A series of novel ion-pair complexes based on TCNQ: syntheses, crystal structures and properties","CrystEngComm","2008","10","11","1574","","10.1039/b808390h","","","0.71073","MoKα","","0.089","0.0465","","","0.0974","0.1097","","","","","","1.003","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202256","11.702","0.004","8.678","0.003","22.271","0.007","90","","113.082","0.015","90","","2080.6","1.2","296","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 N6 -","- C24 H17 N6 -","- C96 H68 N24 -","4","1","","Liu, Guang-Xiang; Xu, Heng; Ren, Xiao-Ming; Sun, Wei-Yin","A series of novel ion-pair complexes based on TCNQ: syntheses, crystal structures and properties","CrystEngComm","2008","10","11","1574","","10.1039/b808390h","","","0.71073","MoKα","","0.0703","0.0587","","","0.1597","0.1705","","","","","","1.044","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202257","35.313","0.018","7.272","0.004","22.982","0.011","90","","124.01","0.03","90","","4892","5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C29 H18.5 Br N5.5 -","- C29 H17 Br N5.5 -","- C232 H136 Br8 N44 -","8","1","","Liu, Guang-Xiang; Xu, Heng; Ren, Xiao-Ming; Sun, Wei-Yin","A series of novel ion-pair complexes based on TCNQ: syntheses, crystal structures and properties","CrystEngComm","2008","10","11","1574","","10.1039/b808390h","","","0.71073","MoKα","","0.1968","0.0804","","","0.1234","0.1373","","","","","","1.024","","","","has coordinates","211691","2020-10-21","18:00:00",""
"7202258","13.0505","0.0006","5.1175","0.0002","18.2405","0.0008","90","","94.243","0.002","90","","1214.87","0.09","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 O6 -","- C14 H12 O6 -","- C56 H48 O24 -","4","1","","Mondal, Pallab; Karmakar, Anirban; Singh, W. Marjit; Baruah, Jubaraj B.","Crystal packing in some flexible carboxylic acids and esters attached to a naphthalene ring","CrystEngComm","2008","10","11","1550","","10.1039/b808399a","","","0.71073","MoKα","","0.0439","0.0368","","","0.0924","0.098","","","","","","1.033","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202259","7.0661","0.0004","7.4816","0.0005","8.0748","0.0005","67.837","0.004","72.069","0.004","74.951","0.004","371.12","0.04","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H16 O6 -","- C16 H16 O6 -","- C16 H16 O6 -","1","0.5","","Mondal, Pallab; Karmakar, Anirban; Singh, W. Marjit; Baruah, Jubaraj B.","Crystal packing in some flexible carboxylic acids and esters attached to a naphthalene ring","CrystEngComm","2008","10","11","1550","","10.1039/b808399a","","","0.71073","MoKα","","0.0576","0.0529","","","0.1498","0.1576","","","","","","1.099","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202260","17.5782","0.0002","9.9572","0.0001","8.6206","0.0001","90","","97.714","0.001","90","","1495.21","0.03","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 O6 -","- C16 H16 O6 -","- C64 H64 O24 -","4","1","","Mondal, Pallab; Karmakar, Anirban; Singh, W. Marjit; Baruah, Jubaraj B.","Crystal packing in some flexible carboxylic acids and esters attached to a naphthalene ring","CrystEngComm","2008","10","11","1550","","10.1039/b808399a","","","0.71073","MoKα","","0.0755","0.0417","","","0.0988","0.1137","","","","","","1.046","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202261","7.9575","0.0001","6.923","0.0001","23.3344","0.0004","90","","107.667","0.001","90","","1224.86","0.03","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 O6 -","- C14 H12 O6 -","- C56 H48 O24 -","4","1","","Mondal, Pallab; Karmakar, Anirban; Singh, W. Marjit; Baruah, Jubaraj B.","Crystal packing in some flexible carboxylic acids and esters attached to a naphthalene ring","CrystEngComm","2008","10","11","1550","","10.1039/b808399a","","","0.71073","MoKα","","0.0733","0.0436","","","0.1136","0.1322","","","","","","1.013","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202262","5.5518","0.0004","19.8748","0.0014","39.87","0.003","90","","90","","90","","4399.3","0.6","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C14 H12 O6 S2 -","- C14 H12 O6 S2 -","- C168 H144 O72 S24 -","12","1.5","","Mondal, Pallab; Karmakar, Anirban; Singh, W. Marjit; Baruah, Jubaraj B.","Crystal packing in some flexible carboxylic acids and esters attached to a naphthalene ring","CrystEngComm","2008","10","11","1550","","10.1039/b808399a","","","0.71073","MoKα","","0.0867","0.0519","","","0.1291","0.1566","","","","","","1.083","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202263","6.7148","0.0003","16.6214","0.0006","27.1596","0.001","90","","90","","90","","3031.3","0.2","296","2","296","2","","","","","","","","3","C m c a","-C 2ac 2","64","","","","- C16 H16 O6 -","- C16 H16 O6 -","- C128 H128 O48 -","8","","","Mondal, Pallab; Karmakar, Anirban; Singh, W. Marjit; Baruah, Jubaraj B.","Crystal packing in some flexible carboxylic acids and esters attached to a naphthalene ring","CrystEngComm","2008","10","11","1550","","10.1039/b808399a","","","0.71073","MoKα","","0.1064","0.0676","","","0.1917","0.2404","","","","","","1.158","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202264","4.9808","0.0003","10.8072","0.0008","12.2998","0.0008","68.554","0.004","79.21","0.004","80.026","0.004","601.36","0.07","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H12 O6 -","- C14 H12 O6 -","- C28 H24 O12 -","2","1","","Mondal, Pallab; Karmakar, Anirban; Singh, W. Marjit; Baruah, Jubaraj B.","Crystal packing in some flexible carboxylic acids and esters attached to a naphthalene ring","CrystEngComm","2008","10","11","1550","","10.1039/b808399a","","","0.71073","MoKα","","0.047","0.0384","","","0.0966","0.102","","","","","","1.068","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202265","27.3847","0.001","6.7513","0.0003","8.0896","0.0003","90","","90.669","0.003","90","","1495.52","0.1","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 O6 -","- C16 H16 O6 -","- C64 H64 O24 -","4","1","","Mondal, Pallab; Karmakar, Anirban; Singh, W. Marjit; Baruah, Jubaraj B.","Crystal packing in some flexible carboxylic acids and esters attached to a naphthalene ring","CrystEngComm","2008","10","11","1550","","10.1039/b808399a","","","0.71073","MoKα","","0.1758","0.0678","","","0.1395","0.1796","","","","","","1.022","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202266","21.765","0.004","13.122","0.003","16.206","0.003","90","","111.7","0.03","90","","4300.4","1.7","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H36 Cu Gd2 N2 O23 -","- C38 H32 Cu Gd2 N2 O22 -","- C152 H128 Cu4 Gd8 N8 O88 -","4","0.5","","Luo, Feng; Yang, Yu-ting; Che, Yun-xia; Zheng, Ji-min","Construction of Cu(II)‒Gd(III) metal‒organic framework by the introduction of a small amino acid molecule: hydrothermal synthesis, structure, thermostability, and magnetic studies","CrystEngComm","2008","10","11","1613","","10.1039/b808464e","","x-ray","0.71073","MoKα","","0.0348","0.0279","","","0.0545","0.0564","","","","","","1.058","","","","has coordinates,has disorder","180353","2020-10-21","18:00:00",""
"7202267","19.511","0.006","13.973","0.005","36.231","0.016","90","","90","","90","","9878","6","293","2","293","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C27 H23 Cu N2 O6 -","- C27 H23 Cu N2 O6 -","- C432 H368 Cu16 N32 O96 -","16","0.5","","Liu, Jian-Qiang; Wang, Yao-Yu; Ma, Lu-Fang; Wen, Gui-Lin; Shi, Qi-Zhen; Batten, Stuart R.; Proserpio, Davide M.","Generation of a 4-crossing [2]-catenane motif by the 2D→2D parallel interpenetration of pairs of (4,4) sheets","CrystEngComm","2008","10","9","1123","","10.1039/b808540b","","","0.71073","MoKα","","0.1989","0.0643","","","0.1413","0.1657","","","","","","0.849","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202268","13.993","0.003","19.661","0.004","36.141","0.008","90","","90","","90","","9943","4","293","2","293","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C27 H22 Co N2 O6 -","- C27 H22 Co N2 O6 -","- C432 H352 Co16 N32 O96 -","16","0.5","","Liu, Jian-Qiang; Wang, Yao-Yu; Ma, Lu-Fang; Wen, Gui-Lin; Shi, Qi-Zhen; Batten, Stuart R.; Proserpio, Davide M.","Generation of a 4-crossing [2]-catenane motif by the 2D→2D parallel interpenetration of pairs of (4,4) sheets","CrystEngComm","2008","10","9","1123","","10.1039/b808540b","","","0.71073","MoKα","","0.1744","0.086","","","0.2335","0.2739","","","","","","0.812","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202269","13.963","0.008","19.593","0.011","36.03","0.02","90","","90","","90","","9857","10","293","2","298","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C54 H48 N4 Ni2 O12 -","- C54 H48 N4 Ni2 O12 -","- C432 H384 N32 Ni16 O96 -","8","0.25","","Liu, Jian-Qiang; Wang, Yao-Yu; Ma, Lu-Fang; Wen, Gui-Lin; Shi, Qi-Zhen; Batten, Stuart R.; Proserpio, Davide M.","Generation of a 4-crossing [2]-catenane motif by the 2D→2D parallel interpenetration of pairs of (4,4) sheets","CrystEngComm","2008","10","9","1123","","10.1039/b808540b","","","0.71073","MoKα","","0.2175","0.0947","","","0.2449","0.271","","","","","","1.06","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202270","16.653","0.001","13.4462","0.0005","19.299","0.001","90","","106.527","0.002","90","","4142.9","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","cole02","","","- C78 H106 N4 O38 P4 -","- C78 H106 N4 O38 P4 -","- C156 H212 N8 O76 P8 -","2","1","","Suwinska, Kinga; Coleman, Anthony W.","Structure of the kanamycin‒calix[4]arene di-O-phosphonate salt","CrystEngComm","2008","10","10","1302","","10.1039/b808568d","","","0.71073","MoKα","","0.103","0.064","","","0.152","0.168","","","","","","0.95","","","","has coordinates,has disorder","180353","2020-10-21","18:00:00",""
"7202271","6.9224","0.0002","12.8632","0.0004","16.8675","0.0005","102.906","0.001","91.912","0.001","94.362","0.001","1457.81","0.08","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H26 Ag4 N2 O18 S2 -","- C20 H26 Ag4 N2 O18 S2 -","- C40 H52 Ag8 N4 O36 S4 -","2","1","","Wang, Yu-Ling; Liu, Qing-Yan; Xu, Li","Two novel luminescent silver(I) coordination polymers containing octanuclear silver cluster units or ligand unsupported Ag⋯Ag interactions constructed from 5-sulfoisophthalic acid (H3SIP) and organic amine","CrystEngComm","2008","10","11","1667","","10.1039/b808571d","","","0.71073","MoKα","","0.0437","0.0384","","","0.0994","0.1138","","","","","","1.017","","","","has coordinates,has disorder","180353","2020-10-21","18:00:00",""
"7202272","18.3027","0.0005","11.4073","0.0001","13.7081","0.0004","90","","92.44","0.002","90","","2859.44","0.12","273","2","273","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C28 H24 Ag2 N4 O9 S -","- C28 H24 Ag2 N4 O9 S -","- C112 H96 Ag8 N16 O36 S4 -","4","1","","Wang, Yu-Ling; Liu, Qing-Yan; Xu, Li","Two novel luminescent silver(I) coordination polymers containing octanuclear silver cluster units or ligand unsupported Ag⋯Ag interactions constructed from 5-sulfoisophthalic acid (H3SIP) and organic amine","CrystEngComm","2008","10","11","1667","","10.1039/b808571d","","","0.71073","MoKα","","0.1165","0.0662","","","0.1508","0.1864","","","","","","1.003","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202273","8.1806","0.0004","12.3357","0.0004","15.929","0.0008","73.757","0.003","83.508","0.002","83.782","0.003","1528.43","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H33 Gd N4 O21 U2 -","- C18 H27 Gd N4 O21 U2 -","- C36 H54 Gd2 N8 O42 U4 -","2","1","","Thuéry, Pierre","The first uranyl‒lanthanide heterometallic complexes: metal‒organic frameworks with DOTA and oxalato ligands","CrystEngComm","2008","10","9","1126","","10.1039/b808611g","","","0.71073","MoKα","","0.0379","0.0318","","","0.0853","0.0875","","","","","","1.078","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202274","8.1894","0.0008","12.3511","0.001","15.9186","0.0016","73.824","0.006","83.73","0.005","83.882","0.006","1532.2","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H33 Eu N4 O21 U2 -","- C18 H27 Eu N4 O21 U2 -","- C36 H54 Eu2 N8 O42 U4 -","2","1","","Thuéry, Pierre","The first uranyl‒lanthanide heterometallic complexes: metal‒organic frameworks with DOTA and oxalato ligands","CrystEngComm","2008","10","9","1126","","10.1039/b808611g","","","0.71073","MoKα","","0.0475","0.0326","","","0.0688","0.0731","","","","","","1.008","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202275","7.0172","0.0014","10.343","0.002","15.516","0.003","90","","90","","90","","1126.1","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 N4 O2 -","- C11 H12 N4 O2 -","- C44 H48 N16 O8 -","4","1","","Bhogala, Balakrishna R.; Chandran, Sreekanth K.; Reddy, L. Sreenivas; Thakuria, Ranjit; Nangia, Ashwini","Molecular networks. Design and serendipity","CrystEngComm","2008","10","12","1735","","10.1039/b808923j","","","0.71073","MoKα","","0.0715","0.0639","","","0.1207","0.1227","","","","","","1.329","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202276","13.3218","0.0014","5.7554","0.0006","24.093","0.003","90","","90.508","0.002","90","","1847.2","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","cis,cis-1,3,5-cyclohexanetricarboxylic acid - (4(3H)- pyrimidone)2","cis,cis-1,3,5-cyclohexanetricarboxylic acid - [4(3H)-pyrimidone]2","","- C17 H20 N4 O8 -","- C17 H20 N4 O8 -","- C68 H80 N16 O32 -","4","1","","Bhogala, Balakrishna R.; Chandran, Sreekanth K.; Reddy, L. Sreenivas; Thakuria, Ranjit; Nangia, Ashwini","Molecular networks. Design and serendipity","CrystEngComm","2008","10","12","1735","","10.1039/b808923j","","","0.71073","MoKα","","0.0892","0.0533","","","0.1216","0.1394","","","","","","0.969","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202278","18.2141","0.0005","18.2141","0.0005","7.6303","0.0003","90","","90","","120","","2192.24","0.12","100","2","100","2","","","","","","","","6","P 63/m","-P 6c","176","Dimethyl(pyruvic-thiosemicarbazonate)tin(IV) THF solvate","","","- C10 H19 N3 O3 S Sn -","- C10 H19 N3 O3 S Sn -","- C60 H114 N18 O18 S6 Sn6 -","6","0.5","","Kovala-Demertzi, Dimitra; Wiecek, Joanna; Plakatouras, John C.; Ciunik, Zbigniew","Self-assembly of dialkyltin(IV) moieties and a thiosemicarbone to a trinuclear macrocycle and the unprecedented formation of two pseudo-polymorphs with different cavities","CrystEngComm","2008","10","10","1291","","10.1039/b809216h","","","0.71073","MoKα","","0.0378","0.0259","","","0.0529","0.055","","","","","","1.094","","","","has coordinates,has disorder","180353","2020-10-21","18:00:00",""
"7202279","20.1191","0.0005","20.1191","0.0005","20.1191","0.0005","90","","90","","90","","8143.8","0.4","100","2","100","2","","","","","","","","6","I 2 3","I 2 2 3","197","Dimethyl(pyruvic-thiosemicarbazonate)tin(IV) THF solvate","","","- C8 H15 N3 O2.5 S Sn -","- C8 H15 N3 O2.5 S Sn -","- C192 H360 N72 O60 S24 Sn24 -","24","1","","Kovala-Demertzi, Dimitra; Wiecek, Joanna; Plakatouras, John C.; Ciunik, Zbigniew","Self-assembly of dialkyltin(IV) moieties and a thiosemicarbone to a trinuclear macrocycle and the unprecedented formation of two pseudo-polymorphs with different cavities","CrystEngComm","2008","10","10","1291","","10.1039/b809216h","","","0.71073","MoKα","","0.0399","0.0292","","","0.0613","0.063","","","","","","0.903","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202280","7.5434","0.0008","18.575","0.002","16.7756","0.0019","90","","90","","90","","2350.6","0.4","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Cinacalcet HCl acetic acid solvate","","","- C24 H27 Cl F3 N O2 -","- C24 H27 Cl F3 N O2 -","- C96 H108 Cl4 F12 N4 O8 -","4","1","","Braun, Doris E.; Kahlenberg, Volker; Gelbrich, Thomas; Ludescher, Johannes; Griesser, Ulrich J.","Solid state characterisation of four solvates of R-cinacalcet hydrochloride","CrystEngComm","2008","10","11","1617","","10.1039/b809219b","","","0.71073","MoKα","","0.0596","0.0458","","","0.0807","0.0845","","","","","","1.07","","","","has coordinates,has disorder","180353","2020-10-21","18:00:00",""
"7202281","16.846","0.01","16.926","0.01","11.193","0.007","90","","90","","90","","3192","3","173","2","173","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C15 H13 N3 O4 Zn -","- C15 H13 N3 O4 Zn -","- C120 H104 N24 O32 Zn8 -","8","","","Brown, Kyalamboka A.; Martin, David P.; LaDuca, Robert L.","An acentric parallel interpenetrated dual-ligand zinc coordination polymer from an in situ terminal-to-internal alkene rearrangement","CrystEngComm","2008","10","10","1305","","10.1039/b809255a","","","0.71073","MoKα","","0.0604","0.0391","","","0.0982","0.1081","","","","","","1.058","","","","has coordinates,has disorder","180353","2020-10-21","18:00:00",""
"7202283","17.7258","0.0004","17.7258","0.0004","33.5699","0.0008","90","","90","","90","","10547.8","0.4","173","2","173","2","","","","","","","","5","P 43","P 4cw","78","","","","- C96.5 H142 Br N O24 -","- C96.5 H142 Br N O24 -","- C386 H568 Br4 N4 O96 -","4","1","","Busi, Sara; Saxell, Heidi; Fröhlich, Roland; Rissanen, Kari","The role of cation⋯π interactions in capsule formation: co-crystals of resorcinarenes and alkyl ammonium salts","CrystEngComm","2008","10","12","1803","","10.1039/b809503e","","x-ray","0.71073","MoKα","","0.1359","0.0938","","","0.2376","0.2768","","","","","","1.068","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7202284","13.498","0.0003","13.36","0.0004","34.577","0.0005","90","","94.25","0.001","90","","6218.2","0.2","173","0.1","173","0.1","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C62 H96 Br0.5 N0.5 O10.5 -","- C61.65 H94.25 Br0.5 N0.5 O10.5 -","- C246.6 H377 Br2 N2 O42 -","4","1","","Busi, Sara; Saxell, Heidi; Fröhlich, Roland; Rissanen, Kari","The role of cation⋯π interactions in capsule formation: co-crystals of resorcinarenes and alkyl ammonium salts","CrystEngComm","2008","10","12","1803","","10.1039/b809503e","","","0.71073","MoKα","","0.2361","0.1226","","","0.33","0.3972","","","","","","1.17","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7202285","19.682","0.004","27.304","0.006","17.627","0.004","90","","90","","90","","9473","4","173","0.1","173","0.1","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C48 H52 Br N O8.6 -","- C48 H52 Br N O8.6 -","- C384 H416 Br8 N8 O68.8 -","8","1","","Busi, Sara; Saxell, Heidi; Fröhlich, Roland; Rissanen, Kari","The role of cation⋯π interactions in capsule formation: co-crystals of resorcinarenes and alkyl ammonium salts","CrystEngComm","2008","10","12","1803","","10.1039/b809503e","","x-ray","0.71073","MoKα","","0.1698","0.1256","","","0.2906","0.3151","","","","","","1.102","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7202286","12.851","0.003","14.534","0.003","20.177","0.004","106.64","0.03","98.21","0.03","99.87","0.03","3483.1","1.6","173","0.1","173","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C76 H86 Cl2 N4 O8 -","- C76 H86 Cl2 N4 O8 -","- C152 H172 Cl4 N8 O16 -","2","1","","Busi, Sara; Saxell, Heidi; Fröhlich, Roland; Rissanen, Kari","The role of cation⋯π interactions in capsule formation: co-crystals of resorcinarenes and alkyl ammonium salts","CrystEngComm","2008","10","12","1803","","10.1039/b809503e","","x-ray","0.71073","MoKα","","0.186","0.1145","","","0.2292","0.2668","","","","","","1.119","","","","has coordinates,has disorder","180353","2020-10-21","18:00:00",""
"7202287","19.196","0.004","16.576","0.003","36.916","0.007","90","","90","","90","","11746","4","173","0.1","173","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C61 H82 Br N O16 -","- C61 H82 Br N O16 -","- C488 H656 Br8 N8 O128 -","8","1","","Busi, Sara; Saxell, Heidi; Fröhlich, Roland; Rissanen, Kari","The role of cation⋯π interactions in capsule formation: co-crystals of resorcinarenes and alkyl ammonium salts","CrystEngComm","2008","10","12","1803","","10.1039/b809503e","","x-ray","0.71073","MoKα","","0.1357","0.0818","","","0.1715","0.2018","","","","","","1.047","","","","has coordinates,has disorder","180353","2020-10-21","18:00:00",""
"7202288","13.9181","0.0015","11.6269","0.0013","18.8112","0.0016","90","","116.025","0.006","90","","2735.4","0.5","213","2","213","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","(((PymPO3(H))2Cu2(H2O)4)(SO3CF3)2.H2O)n","","","- C10 H20 Cu2 F6 N4 O18 P2 S2 -","- C10 H20 Cu2 F6 N4 O18 P2 S2 -","- C40 H80 Cu8 F24 N16 O72 P8 S8 -","4","1","","Samanamu, Christian R.; Zamora, Elena N.; Lesikar, Leslie A.; Montchamp, Jean-Luc; Richards, Anne F.","5-Pyrimidyl phosphonic acid as a building block for the synthesis of coordination polymers","CrystEngComm","2008","10","10","1372","","10.1039/b809504n","","","0.71073","MoKα","","0.053","0.0358","","","0.0812","0.0896","","","","","","1.03","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202289","12.5436","0.0014","7.0918","0.0008","15.5908","0.0017","90","","90","","90","","1386.9","0.3","213","2","213","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","((PymPO)Zn(H2O))","","","- C8 H12 N4 O8 P2 Zn -","- C8 H12 N4 O8 P2 Zn -","- C32 H48 N16 O32 P8 Zn4 -","4","0.5","","Samanamu, Christian R.; Zamora, Elena N.; Lesikar, Leslie A.; Montchamp, Jean-Luc; Richards, Anne F.","5-Pyrimidyl phosphonic acid as a building block for the synthesis of coordination polymers","CrystEngComm","2008","10","10","1372","","10.1039/b809504n","","","0.71073","MoKα","","0.0572","0.034","","","0.0743","0.0847","","","","","","1.03","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202290","10.7216","0.0005","31.7838","0.0013","59.5","0.002","90","","90","","90","","20276","1.4","150","2","150","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C30 H46 N13 O16 Ru -","- C30 H46 N13 O16 Ru -","- C480 H736 N208 O256 Ru16 -","16","0.5","","Cui, Ying; Cao, Man-Li; Yang, Li-Fei; Niu, Yan-Li; Ye, Bao-Hui","Water nanotubes confined to nanochannels of a (10,3)-b net constructed by binary building blocks via the R22(9) synthon","CrystEngComm","2008","10","10","1288","","10.1039/b809511f","","","0.71073","MoKα","","0.1229","0.0754","","","0.218","0.2368","","","","","","1.024","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202291","30.011","0.01","6.584","0.002","18.263","0.007","90","","90.101","0.014","90","","3609","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H15 Mn N3 O12 -","- C14 H13 Mn N3 O12 -","- C112 H104 Mn8 N24 O96 -","8","1","","Li, Wei; Ju, Zhan-Feng; Yao, Qing-Xia; Zhang, Jie","A novel two-dimensional homochiral manganese(II)-carboxylate coordination framework exhibiting field-induced spin-flop transition","CrystEngComm","2008","10","10","1325","","10.1039/b809627a","","","0.71073","MoKα","","0.0488","0.0414","","","0.1114","0.1175","","","","","","1.011","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202292","14.0102","0.0015","8.088","0.0009","15.8727","0.0017","90","","90","","90","","1798.6","0.3","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C5 H14 N2 O2 S2 -","- C5 H14 N2 O2 S2 -","- C40 H112 N16 O16 S16 -","8","1","","Howie, R. Alan; de Lima, Geraldo M.; Menezes, Daniele C.; Wardell, James L.; Wardell, Solange M. S. V.; Young, David J.; Tiekink, Edward R. T.","The influence of cation upon the supramolecular aggregation patterns of dithiocarbamate anions functionalised with hydrogen bonding capacity—the prevalence of charge-assisted O‒H⋯S interactions","CrystEngComm","2008","10","11","1626","","10.1039/b809730e","","","0.7107","MoKα","","0.028","0.028","","","0.067","0.068","","","","","","1.13","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202293","7.7299","0.0003","9.8682","0.0004","10.1834","0.0004","70.968","0.002","81.797","0.002","75.662","0.0018","709.83","0.05","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","4-aza-1-azoniabicyclo(2.2.2)octanium bis(ethanol)dithiocarbamate","","- C11 H23 N3 O2 S2 -","- C11 H23 N3 O2 S2 -","- C22 H46 N6 O4 S4 -","2","1","","Howie, R. Alan; de Lima, Geraldo M.; Menezes, Daniele C.; Wardell, James L.; Wardell, Solange M. S. V.; Young, David J.; Tiekink, Edward R. T.","The influence of cation upon the supramolecular aggregation patterns of dithiocarbamate anions functionalised with hydrogen bonding capacity—the prevalence of charge-assisted O‒H⋯S interactions","CrystEngComm","2008","10","11","1626","","10.1039/b809730e","","","0.71073","MoKα","","0.053","0.034","","","0.076","0.083","","","","","","1.04","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202294","11.8425","0.0004","9.3648","0.0003","12.1634","0.0004","90","","106.823","0.002","90","","1291.22","0.07","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H21 N3 O S2 -","- C10 H21 N3 O S2 -","- C40 H84 N12 O4 S8 -","4","1","","Howie, R. Alan; de Lima, Geraldo M.; Menezes, Daniele C.; Wardell, James L.; Wardell, Solange M. S. V.; Young, David J.; Tiekink, Edward R. T.","The influence of cation upon the supramolecular aggregation patterns of dithiocarbamate anions functionalised with hydrogen bonding capacity—the prevalence of charge-assisted O‒H⋯S interactions","CrystEngComm","2008","10","11","1626","","10.1039/b809730e","","","0.71069","MoKα","","0.074","0.04","","","0.096","0.118","","","","","","1.1","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202295","7.7319","0.0002","9.5151","0.0002","9.594","0.0002","84.292","0.001","77.195","0.001","85.278","0.001","683.54","0.03","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H23 N3 O S2 -","- C11 H23 N3 O S2 -","- C22 H46 N6 O2 S4 -","2","1","","Howie, R. Alan; de Lima, Geraldo M.; Menezes, Daniele C.; Wardell, James L.; Wardell, Solange M. S. V.; Young, David J.; Tiekink, Edward R. T.","The influence of cation upon the supramolecular aggregation patterns of dithiocarbamate anions functionalised with hydrogen bonding capacity—the prevalence of charge-assisted O‒H⋯S interactions","CrystEngComm","2008","10","11","1626","","10.1039/b809730e","","","0.71069","MoKα","","0.042","0.037","","","0.106","0.111","","","","","","1.18","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202296","14.4181","0.0004","8.1107","0.0002","19.0611","0.0005","90","","90","","90","","2229.02","0.1","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C5 H16 N Na O5 S2 -","- C5 H16 N Na O5 S2 -","- C40 H128 N8 Na8 O40 S16 -","8","1","","Howie, R. Alan; de Lima, Geraldo M.; Menezes, Daniele C.; Wardell, James L.; Wardell, Solange M. S. V.; Young, David J.; Tiekink, Edward R. T.","The influence of cation upon the supramolecular aggregation patterns of dithiocarbamate anions functionalised with hydrogen bonding capacity—the prevalence of charge-assisted O‒H⋯S interactions","CrystEngComm","2008","10","11","1626","","10.1039/b809730e","","","0.71069","MoKα","","0.039","0.029","","","0.064","0.068","","","","","","1.11","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202297","26.8102","0.0015","5.8617","0.0002","14.8147","0.0005","90","","106.278","0.002","90","","2234.85","0.17","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H16 N Na O3 S2 -","- C6 H16 N Na O3 S2 -","- C48 H128 N8 Na8 O24 S16 -","8","1","","Howie, R. Alan; de Lima, Geraldo M.; Menezes, Daniele C.; Wardell, James L.; Wardell, Solange M. S. V.; Young, David J.; Tiekink, Edward R. T.","The influence of cation upon the supramolecular aggregation patterns of dithiocarbamate anions functionalised with hydrogen bonding capacity—the prevalence of charge-assisted O‒H⋯S interactions","CrystEngComm","2008","10","11","1626","","10.1039/b809730e","","","0.71069","MoKα","","0.07","0.059","","","0.165","0.17","","","","","","1.14","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202298","7.6968","0.0002","14.1288","0.0003","8.027","0.0001","90","","90","","90","","872.91","0.03","120","2","120","2","","","","","","","","6","P b c m","-P 2c 2b","57","","Potassium bis(ethanol)dithiocarbamate","","- C5 H10 K N O2 S2 -","- C5 H10 K N O2 S2 -","- C20 H40 K4 N4 O8 S8 -","4","0.5","","Howie, R. Alan; de Lima, Geraldo M.; Menezes, Daniele C.; Wardell, James L.; Wardell, Solange M. S. V.; Young, David J.; Tiekink, Edward R. T.","The influence of cation upon the supramolecular aggregation patterns of dithiocarbamate anions functionalised with hydrogen bonding capacity—the prevalence of charge-assisted O‒H⋯S interactions","CrystEngComm","2008","10","11","1626","","10.1039/b809730e","","","0.71073","MoKα","","0.029","0.027","","","0.067","0.068","","","","","","1.31","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202299","16.0465","0.0004","14.2446","0.0003","8.4274","0.0002","90","","90","","90","","1926.3","0.08","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Cesium bis(ethanol)dithiocarbamate","","- C5 H10 Cs N O2 S2 -","- C5 H10 Cs N O2 S2 -","- C40 H80 Cs8 N8 O16 S16 -","8","1","","Howie, R. Alan; de Lima, Geraldo M.; Menezes, Daniele C.; Wardell, James L.; Wardell, Solange M. S. V.; Young, David J.; Tiekink, Edward R. T.","The influence of cation upon the supramolecular aggregation patterns of dithiocarbamate anions functionalised with hydrogen bonding capacity—the prevalence of charge-assisted O‒H⋯S interactions","CrystEngComm","2008","10","11","1626","","10.1039/b809730e","","","0.71073","MoKα","","0.023","0.018","","","0.042","0.044","","","","","","1.06","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7202300","9.8941","0.0007","9.8941","0.0007","9.8941","0.0007","90","","90","","90","","968.57","0.12","123","2","123","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C6 H9 Co N4 O4.5 -","- C5.94 H8.94 Co N3.96 O4.47 -","- C23.76 H35.76 Co4 N15.84 O17.88 -","4","0.333333","","Zhang, Wei-Xiong; Xue, Wei; Lin, Jian-Bin; Zheng, Yan-Zhen; Chen, Xiao-Ming","3D geometrically frustrated magnets assembled by transition metal ion and 1,2,3-triazole-4,5-dicarboxylate as triangular nodes","CrystEngComm","2008","10","12","1770","","10.1039/b809838g","","","0.71073","MoKα","","0.03","0.0282","","","0.0701","0.0721","","","","","","1.085","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7202301","10.2304","0.0004","10.2304","0.0004","10.2304","0.0004","90","","90","","90","","1070.72","0.07","293","2","293","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C6 H8 Mn N4 O4.5 -","- C5.97 H8.05 Mn N3.97 O4.46 -","- C23.88 H32.2 Mn4 N15.88 O17.84 -","4","0.333333","","Zhang, Wei-Xiong; Xue, Wei; Lin, Jian-Bin; Zheng, Yan-Zhen; Chen, Xiao-Ming","3D geometrically frustrated magnets assembled by transition metal ion and 1,2,3-triazole-4,5-dicarboxylate as triangular nodes","CrystEngComm","2008","10","12","1770","","10.1039/b809838g","","","0.71073","MoKα","","0.0934","0.0905","","","0.2513","0.2546","","","","","","1.208","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7202302","14.3295","0.0006","14.3295","0.0006","10.0523","0.0008","90","","90","","120","","1787.55","0.18","293","2","293","2","","","","","","","","5","P 61","P 61","169","","","","- C4 H9.2 Mn N4 O6.6 -","- C4 H9.2 Mn N4 O6.6 -","- C24 H55.2 Mn6 N24 O39.6 -","6","1","","Zhang, Wei-Xiong; Xue, Wei; Lin, Jian-Bin; Zheng, Yan-Zhen; Chen, Xiao-Ming","3D geometrically frustrated magnets assembled by transition metal ion and 1,2,3-triazole-4,5-dicarboxylate as triangular nodes","CrystEngComm","2008","10","12","1770","","10.1039/b809838g","","","0.71073","MoKα","","0.049","0.0478","","","0.1314","0.1324","","","","","","1.087","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202303","7.8421","0.0002","13.4343","0.0004","12.8692","0.0005","90","","92.665","0.002","90","","1354.34","0.07","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H10 Cl4 Co N4 -","- C6 H10 Cl4 Co N4 -","- C24 H40 Cl16 Co4 N16 -","4","0.5","","Adams, Christopher J.; Kurawa, Mukhtar A.; Lusi, Matteo; Orpen, A. Guy","Solid state synthesis of coordination compounds from basic metal salts","CrystEngComm","2008","10","12","1790","","10.1039/b809950b","","","0.71073","MoKα","","0.1055","0.0998","","","0.2077","0.2155","","","","","","1.308","","","","has coordinates,has disorder","180354","2020-10-21","18:00:00",""
"7202304","7.8266","0.0002","13.4366","0.0004","12.8885","0.0003","90","","92.705","0.002","90","","1353.88","0.06","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H10 Cl4 N4 Zn -","- C6 H10 Cl4 N4 Zn -","- C24 H40 Cl16 N16 Zn4 -","4","0.5","","Adams, Christopher J.; Kurawa, Mukhtar A.; Lusi, Matteo; Orpen, A. Guy","Solid state synthesis of coordination compounds from basic metal salts","CrystEngComm","2008","10","12","1790","","10.1039/b809950b","","","0.71073","MoKα","","0.0649","0.0568","","","0.1384","0.1448","","","","","","1.179","","","","has coordinates,has disorder","180354","2020-10-21","18:00:00",""
"7202305","7.5859","0.0019","13.524","0.003","12.804","0.003","90","","93.434","0.005","90","","1311.2","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H10 Cl4 N4 Zn -","- C6 H10 Cl4 N4 Zn -","- C24 H40 Cl16 N16 Zn4 -","4","1","","Adams, Christopher J.; Kurawa, Mukhtar A.; Lusi, Matteo; Orpen, A. Guy","Solid state synthesis of coordination compounds from basic metal salts","CrystEngComm","2008","10","12","1790","","10.1039/b809950b","","","0.71073","MoKα","","0.1332","0.0496","","","0.0802","0.1006","","","","","","0.972","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202306","7.7538","0.0002","11.7092","0.0005","14.7529","0.0007","85.756","0.002","89.684","0.002","86.998","0.002","1333.92","0.09","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H10 Cl4 Cu N4 -","- C6 H10 Cl4 Cu N4 -","- C24 H40 Cl16 Cu4 N16 -","4","2","","Adams, Christopher J.; Kurawa, Mukhtar A.; Lusi, Matteo; Orpen, A. Guy","Solid state synthesis of coordination compounds from basic metal salts","CrystEngComm","2008","10","12","1790","","10.1039/b809950b","","","0.71073","MoKα","","0.202","0.106","","","0.1596","0.1949","","","","","","1.089","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202307","7.7642","0.0005","11.3537","0.0007","14.8141","0.0009","85.153","0.011","88.936","0.011","86.47","0.011","1298.64","0.14","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H10 Cl4 Cu N4 -","- C6 H10 Cl4 Cu N4 -","- C24 H40 Cl16 Cu4 N16 -","4","2","","Adams, Christopher J.; Kurawa, Mukhtar A.; Lusi, Matteo; Orpen, A. Guy","Solid state synthesis of coordination compounds from basic metal salts","CrystEngComm","2008","10","12","1790","","10.1039/b809950b","","","0.71073","MoKα","","0.0645","0.0366","","","0.0698","0.0768","","","","","","1.026","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202308","6.3682","0.0013","14.511","0.003","17.457","0.004","90","","90","","90","","1613.2","0.6","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","((R)-1-phenylethylammonium) 2-naphthalenecarboxylate","((R)-1-phenylethylammonium) 2-naphthalenecarboxylate","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C76 H76 N4 O8 -","4","1","","Lemmerer, Andreas; Bourne, Susan A.; Fernandes, Manuel A.","Structural and melting point characterisation of six chiral ammonium naphthalene carboxylate salts","CrystEngComm","2008","10","11","1605","","10.1039/b810068c","","","0.71073","MoKα","","0.0607","0.0521","","","0.1277","0.1334","","","","","","1.087","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202309","6.3709","0.0013","14.513","0.003","17.445","0.004","90","","90","","90","","1613","0.6","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","((S)-1-phenylethylammonium) 2-naphthalenecarboxylate","((S)-1-phenylethylammonium) 2-naphthalenecarboxylate","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C76 H76 N4 O8 -","4","1","","Lemmerer, Andreas; Bourne, Susan A.; Fernandes, Manuel A.","Structural and melting point characterisation of six chiral ammonium naphthalene carboxylate salts","CrystEngComm","2008","10","11","1605","","10.1039/b810068c","","","0.71073","MoKα","","0.0474","0.037","","","0.0912","0.0968","","","","","","1.037","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202310","6.1388","0.0005","10.6194","0.0005","12.8861","0.0009","105.398","0.004","101.879","0.003","98.163","0.005","775.14","0.09","173","2","173","2","","","","","","","","4","P -1","-P 1","2","bis((RS)-1-phenylethylammonium) 26-naphthalenedicarboxylate","bis((RS)-1-phenylethylammonium) 26-naphthalenedicarboxylate","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C38 H38 N2 O4 -","2","1","","Lemmerer, Andreas; Bourne, Susan A.; Fernandes, Manuel A.","Structural and melting point characterisation of six chiral ammonium naphthalene carboxylate salts","CrystEngComm","2008","10","11","1605","","10.1039/b810068c","","","0.71073","MoKα","","0.0386","0.0349","","","0.094","0.0972","","","","","","1.037","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202311","9.6633","0.0004","6.3731","0.0003","19.721","0.0007","90","","96.041","0.002","90","","1207.78","0.09","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","bis((R)-1-phenylethylammonium) naphthalene-2,6-dicarboxylate","bis((R)-1-phenylethylammonium) naphthalene-2,6-dicarboxylate","","- C28 H30 N2 O4 -","- C28 H30 N2 O4 -","- C56 H60 N4 O8 -","2","1","","Lemmerer, Andreas; Bourne, Susan A.; Fernandes, Manuel A.","Structural and melting point characterisation of six chiral ammonium naphthalene carboxylate salts","CrystEngComm","2008","10","11","1605","","10.1039/b810068c","","","0.71073","MoKα","","0.0412","0.0329","","","0.0813","0.0881","","","","","","1.043","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202312","9.6656","0.0012","6.3707","0.0009","19.708","0.002","90","","96.025","0.007","90","","1206.8","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","bis((S)1-phenylethylammonium) 2,6-naphthalenedicarboxylate","bis((S)1-phenylethylammonium) 2,6-naphthalenedicarboxylate","","- C28 H30 N2 O4 -","- C28 H30 N2 O4 -","- C56 H60 N4 O8 -","2","1","","Lemmerer, Andreas; Bourne, Susan A.; Fernandes, Manuel A.","Structural and melting point characterisation of six chiral ammonium naphthalene carboxylate salts","CrystEngComm","2008","10","11","1605","","10.1039/b810068c","","","0.71073","MoKα","","0.1241","0.0579","","","0.0942","0.1167","","","","","","1.045","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202313","6.1211","0.0005","9.6478","0.0008","10.5813","0.0011","94.483","0.004","98.503","0.004","103.126","0.005","597.8","0.09","173","2","173","2","","","","","","","","4","P -1","-P 1","2","bis((RS)-1-phenylethylammonium) naphthalenedicarboxylate","bis((RS)-1-phenylethylammonium) naphthalenedicarboxylate","","- C28 H30 N2 O4 -","- C28 H30 N2 O4 -","- C28 H30 N2 O4 -","1","0.5","","Lemmerer, Andreas; Bourne, Susan A.; Fernandes, Manuel A.","Structural and melting point characterisation of six chiral ammonium naphthalene carboxylate salts","CrystEngComm","2008","10","11","1605","","10.1039/b810068c","","","0.71073","MoKα","","0.0822","0.0504","","","0.1051","0.1192","","","","","","1.052","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202314","16.666","0.0007","16.666","0.0007","38.157","0.004","90","","90","","120","","9178.4","1.1","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","tris(4-(3-pyridyl)phenylester)cyclotriguaiacylene","tris{4-(3-pyridyl)phenylester)cyclotriguaiacylene","","- C62.5 H47.5 Cl7.5 N3 O9 -","- C62.49 H46.99 Cl7.5 N3 O9 -","- C374.94 H281.94 Cl45 N18 O54 -","6","0.333333","","Ronson, Tanya K.; Hardie, Michaele J.","Extended 36 and 63 arrays of capsule motifs using ligand tris{4-(3-pyridyl)phenylester}cyclotriguaiacylene","CrystEngComm","2008","10","12","1731","","10.1039/b810090j","","","0.71073","MoKα","","0.1068","0.0695","","","0.1888","0.231","","","","","","1.036","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202315","16.1966","0.0004","16.1966","0.0004","34.0682","0.0019","90","","90","","120","","7739.8","0.5","150","2","150","2","","","","","","","","8","P 63/m","-P 6c","176","tris(acetonitrile)chlorobis(tris(4-(3-pyridyl)phenylester) cyclotriguaiacylene)-trisilver(i) tetrafluoroborate acetonitrile clathrate","tris(acetonitrile)chlorobis(tris{4-(3-pyridyl)phenylester) cyclotriguaiacylene)- trisilver(I) tetrafluoroborate acetonitrile clathrate","","- C132 H108 Ag3 B2 Cl F8 N12 O18 -","- C131.96 H90 Ag3 Cl N12 O18 -","- C263.92 H180 Ag6 Cl2 N24 O36 -","2","0.166667","","Ronson, Tanya K.; Hardie, Michaele J.","Extended 36 and 63 arrays of capsule motifs using ligand tris{4-(3-pyridyl)phenylester}cyclotriguaiacylene","CrystEngComm","2008","10","12","1731","","10.1039/b810090j","","","0.71073","MoKα","","0.129","0.0892","","","0.2991","0.3413","","","","","","1.319","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202316","15.7496","0.0002","15.7496","0.0002","35.0891","0.0011","90","","90","","120","","7537.8","0.3","150","2","150","2","","","","","","","","8","P 63/m","-P 6c","176","tris(acetonitrile)chlorobis(tris(4-(3- pyridyl)phenylester)cyclotriguaiacylene)-trisilver(i) hexafluoroarsenate","tris(acetonitrile)chlorobis(tris{4-(3-pyridyl)phenylester)cyclotriguaiacylene)- trisilver(I) hexafluoroarsenate","","- C126 H99 Ag3 As2 Cl F12 N9 O18 -","- C126 H90 Ag3 As1.99 Cl N9 O18 -","- C252 H180 Ag6 As3.98 Cl2 N18 O36 -","2","0.166667","","Ronson, Tanya K.; Hardie, Michaele J.","Extended 36 and 63 arrays of capsule motifs using ligand tris{4-(3-pyridyl)phenylester}cyclotriguaiacylene","CrystEngComm","2008","10","12","1731","","10.1039/b810090j","","","0.71073","MoKα","","0.1204","0.0959","","","0.263","0.2816","","","","","","1.115","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202317","16.247","0.0006","16.247","0.0006","34.382","0.003","90","","90","","120","","7859.7","0.8","150","2","150","2","","","","","","","","6","P 63/m","-P 6c","176","tris(acetonitrile)chlorobis(tris(4-(3- pyridyl)phenylester)cyclotriguaiacylene)-trisilver(i) perchlorate acetonitrile clathrate","tris(acetonitrile)chlorobis(tris{4-(3-pyridyl)phenylester)cyclotriguaiacylene)- trisilver(I) perchlorate acetonitrile clathrate","","- C128 H102 Ag3 Cl3 N10 O26 -","- C128 H90 Ag3 Cl2 N10 O22 -","- C256 H180 Ag6 Cl4 N20 O44 -","2","0.166667","","Ronson, Tanya K.; Hardie, Michaele J.","Extended 36 and 63 arrays of capsule motifs using ligand tris{4-(3-pyridyl)phenylester}cyclotriguaiacylene","CrystEngComm","2008","10","12","1731","","10.1039/b810090j","","","0.71073","MoKα","","0.1031","0.0641","","","0.1805","0.1986","","","","","","1.087","","","","has coordinates,has disorder","180354","2020-10-21","18:00:00",""
"7202318","23.155","0.008","24.935","0.008","8.302","0.003","90","","90","","90","","4793","3","294","2","294","2","","","","","","","","4","P c c a","-P 2a 2ac","54","","","","- C46 H44 Cd N18 -","- C46 H44 Cd N18 -","- C184 H176 Cd4 N72 -","4","0.5","","Du, Miao; Zhang, Zhi-Hui; Wang, Xiu-Guang; Tang, Liang-Fu; Zhao, Xiao-Jun","Structural modulation of polythreading and interpenetrating coordination networks with an elongated dipyridyl building block and various anionic co-ligands","CrystEngComm","2008","10","12","1855","","10.1039/b810121c","","","0.71073","MoKα","","0.1242","0.0681","","","0.1419","0.1728","","","","","","1.054","","","","has coordinates,has disorder","180354","2020-10-21","18:00:00",""
"7202319","24.958","0.004","24.637","0.004","8.1686","0.0012","90","","90","","90","","5022.8","1.4","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C46 H45 Mn N18 O0.5 -","- C46 H45 Mn N18 O0.5 -","- C184 H180 Mn4 N72 O2 -","4","0.5","","Du, Miao; Zhang, Zhi-Hui; Wang, Xiu-Guang; Tang, Liang-Fu; Zhao, Xiao-Jun","Structural modulation of polythreading and interpenetrating coordination networks with an elongated dipyridyl building block and various anionic co-ligands","CrystEngComm","2008","10","12","1855","","10.1039/b810121c","","","0.71073","MoKα","","0.1668","0.1278","","","0.3078","0.3484","","","","","","1.199","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202320","24.893","0.002","24.682","0.002","8.1486","0.0007","90","","90","","90","","5006.6","0.7","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C46 H48 N18 Ni O2 -","- C46 H44 N18 Ni O2 -","- C184 H176 N72 Ni4 O8 -","4","0.5","","Du, Miao; Zhang, Zhi-Hui; Wang, Xiu-Guang; Tang, Liang-Fu; Zhao, Xiao-Jun","Structural modulation of polythreading and interpenetrating coordination networks with an elongated dipyridyl building block and various anionic co-ligands","CrystEngComm","2008","10","12","1855","","10.1039/b810121c","","","0.71073","MoKα","","0.1739","0.0599","","","0.1419","0.1932","","","","","","0.957","","","","has coordinates,has disorder","180354","2020-10-21","18:00:00",""
"7202321","23.791","0.004","24.236","0.004","8.1907","0.0013","90","","90","","90","","4722.7","1.3","293","2","293","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C44.34 H44 Cu N16.34 O2.5 -","- C44.336 H44 Cu N16.336 O2.496 -","- C177.344 H176 Cu4 N65.344 O9.984 -","4","0.5","","Du, Miao; Zhang, Zhi-Hui; Wang, Xiu-Guang; Tang, Liang-Fu; Zhao, Xiao-Jun","Structural modulation of polythreading and interpenetrating coordination networks with an elongated dipyridyl building block and various anionic co-ligands","CrystEngComm","2008","10","12","1855","","10.1039/b810121c","","","0.71073","MoKα","","0.0975","0.0739","","","0.2236","0.2488","","","","","","1.146","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7202322","14.4057","0.001","25.3367","0.0015","17.6104","0.001","90","","101.307","0.001","90","","6302.9","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H57 N15 O5 Zn -","- C48 H56 N15 O5 Zn -","- C192 H224 N60 O20 Zn4 -","4","0.5","","Du, Miao; Zhang, Zhi-Hui; Wang, Xiu-Guang; Tang, Liang-Fu; Zhao, Xiao-Jun","Structural modulation of polythreading and interpenetrating coordination networks with an elongated dipyridyl building block and various anionic co-ligands","CrystEngComm","2008","10","12","1855","","10.1039/b810121c","","","0.71073","MoKα","","0.0914","0.0793","","","0.2876","0.3161","","","","","","1.019","","","","has coordinates,has disorder","180354","2020-10-21","18:00:00",""
"7202323","10.2047","0.0009","11.3457","0.0009","11.5102","0.001","89.299","0.001","77.705","0.001","82.604","0.001","1291.09","0.19","294","2","294","2","","","","","","","","4","P 1","P 1","1","","","","- C48 H44 Ag3 N21 -","- C48 H44 Ag3 N21 -","- C48 H44 Ag3 N21 -","1","1","","Du, Miao; Zhang, Zhi-Hui; Wang, Xiu-Guang; Tang, Liang-Fu; Zhao, Xiao-Jun","Structural modulation of polythreading and interpenetrating coordination networks with an elongated dipyridyl building block and various anionic co-ligands","CrystEngComm","2008","10","12","1855","","10.1039/b810121c","","","0.71073","MoKα","","0.0727","0.0575","","","0.15","0.1643","","","","","","1.051","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202324","16.546","0.004","24.142","0.005","25.043","0.006","90","","90","","90","","10004","4","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C44 H44 Cd N14 S2 -","- C44 H44 Cd N14 S2 -","- C352 H352 Cd8 N112 S16 -","8","1","","Du, Miao; Zhang, Zhi-Hui; Wang, Xiu-Guang; Tang, Liang-Fu; Zhao, Xiao-Jun","Structural modulation of polythreading and interpenetrating coordination networks with an elongated dipyridyl building block and various anionic co-ligands","CrystEngComm","2008","10","12","1855","","10.1039/b810121c","","","0.71073","MoKα","","0.1387","0.0627","","","0.1776","0.2453","","","","","","0.986","","","","has coordinates,has disorder","180354","2020-10-21","18:00:00",""
"7202325","24.758","0.002","24.387","0.002","8.2917","0.0007","90","","90","","90","","5006.3","0.7","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C44 H44 Co N14 S2 -","- C44 H44 Co N14 S2 -","- C176 H176 Co4 N56 S8 -","4","0.5","","Du, Miao; Zhang, Zhi-Hui; Wang, Xiu-Guang; Tang, Liang-Fu; Zhao, Xiao-Jun","Structural modulation of polythreading and interpenetrating coordination networks with an elongated dipyridyl building block and various anionic co-ligands","CrystEngComm","2008","10","12","1855","","10.1039/b810121c","","","0.71073","MoKα","","0.1179","0.0711","","","0.215","0.2366","","","","","","1.021","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202326","24.263","0.005","16.387","0.004","24.45","0.005","90","","90","","90","","9721","4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C44 H48 Cu N14 O2 S2 -","- C44 H44 Cu N14 O2 S2 -","- C352 H352 Cu8 N112 O16 S16 -","8","1","","Du, Miao; Zhang, Zhi-Hui; Wang, Xiu-Guang; Tang, Liang-Fu; Zhao, Xiao-Jun","Structural modulation of polythreading and interpenetrating coordination networks with an elongated dipyridyl building block and various anionic co-ligands","CrystEngComm","2008","10","12","1855","","10.1039/b810121c","","","0.71073","MoKα","","0.1126","0.0592","","","0.1674","0.2082","","","","","","1.035","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202327","23.637","0.007","25.067","0.007","8.195","0.002","90","","90","","90","","4856","2","294","2","294","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C42 H44 Cd N16.17 O2.74 -","- C42 H44 Cd N16.172 O2.742 -","- C168 H176 Cd4 N64.688 O10.968 -","4","0.5","","Du, Miao; Zhang, Zhi-Hui; Wang, Xiu-Guang; Tang, Liang-Fu; Zhao, Xiao-Jun","Structural modulation of polythreading and interpenetrating coordination networks with an elongated dipyridyl building block and various anionic co-ligands","CrystEngComm","2008","10","12","1855","","10.1039/b810121c","","","0.71073","MoKα","","0.1018","0.0755","","","0.2146","0.2425","","","","","","1.065","","","","has coordinates,has disorder","180354","2020-10-21","18:00:00",""
"7202328","23.955","0.016","24.334","0.016","8.163","0.006","90","","90","","90","","4758","6","293","2","293","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C42 H46 Cu N14 O7 -","- C42 H46 Cu N14 O7 -","- C168 H184 Cu4 N56 O28 -","4","0.5","","Du, Miao; Zhang, Zhi-Hui; Wang, Xiu-Guang; Tang, Liang-Fu; Zhao, Xiao-Jun","Structural modulation of polythreading and interpenetrating coordination networks with an elongated dipyridyl building block and various anionic co-ligands","CrystEngComm","2008","10","12","1855","","10.1039/b810121c","","","0.71073","MoKα","","0.1117","0.0789","","","0.2333","0.2679","","","","","","1.038","","","","has coordinates,has disorder","180354","2020-10-21","18:00:00",""
"7202329","12.6199","0.001","7.8969","0.0006","25.17","0.0017","90","","106.632","0.003","90","","2403.5","0.3","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C42 H44 Cd Cl2 N12 -","- C42 H44 Cd Cl2 N12 -","- C84 H88 Cd2 Cl4 N24 -","2","0.5","","Du, Miao; Zhang, Zhi-Hui; Wang, Xiu-Guang; Tang, Liang-Fu; Zhao, Xiao-Jun","Structural modulation of polythreading and interpenetrating coordination networks with an elongated dipyridyl building block and various anionic co-ligands","CrystEngComm","2008","10","12","1855","","10.1039/b810121c","","","0.71073","MoKα","","0.0582","0.0483","","","0.1896","0.2007","","","","","","1.304","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202330","16.893","0.014","16.155","0.013","20.514","0.017","90","","110.628","0.008","90","","5239","7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H49.5 Cd2 N7.5 O13.5 -","- C42 H42.5 Cd2 N7.5 O13.5 -","- C168 H170 Cd8 N30 O54 -","4","1","","Du, Miao; Zhang, Zhi-Hui; Wang, Xiu-Guang; Tang, Liang-Fu; Zhao, Xiao-Jun","Structural modulation of polythreading and interpenetrating coordination networks with an elongated dipyridyl building block and various anionic co-ligands","CrystEngComm","2008","10","12","1855","","10.1039/b810121c","","","0.71073","MoKα","","0.148","0.1195","","","0.3122","0.3318","","","","","","1.062","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202331","28.816","0.006","14.33","0.003","21.034","0.005","90","","90","","90","","8686","3","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C33.5 H41.5 Cd N7.5 O8 -","- C33.5 H38.5 Cd N7.5 O8 -","- C268 H308 Cd8 N60 O64 -","8","1","","Du, Miao; Zhang, Zhi-Hui; Wang, Xiu-Guang; Tang, Liang-Fu; Zhao, Xiao-Jun","Structural modulation of polythreading and interpenetrating coordination networks with an elongated dipyridyl building block and various anionic co-ligands","CrystEngComm","2008","10","12","1855","","10.1039/b810121c","","","0.71073","MoKα","","0.0654","0.0524","","","0.1742","0.188","","","","","","1.047","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7202332","11.414","0.004","16.924","0.005","23.486","0.007","90","","99.533","0.004","90","","4474","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H44.5 N7 Ni O8.75 -","- C38 H44.5 N7 Ni O8.75 -","- C152 H178 N28 Ni4 O35 -","4","1","","Du, Miao; Zhang, Zhi-Hui; Wang, Xiu-Guang; Tang, Liang-Fu; Zhao, Xiao-Jun","Structural modulation of polythreading and interpenetrating coordination networks with an elongated dipyridyl building block and various anionic co-ligands","CrystEngComm","2008","10","12","1855","","10.1039/b810121c","","","0.71073","MoKα","","0.1265","0.072","","","0.1972","0.228","","","","","","1.07","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202333","10.9672","0.0012","10.8989","0.0012","39.656","0.004","90","","93.294","0.001","90","","4732.3","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H32 N6 O9 Zn2 -","- C37 H30 N6 O9 Zn2 -","- C148 H120 N24 O36 Zn8 -","4","1","","Du, Miao; Zhang, Zhi-Hui; Wang, Xiu-Guang; Tang, Liang-Fu; Zhao, Xiao-Jun","Structural modulation of polythreading and interpenetrating coordination networks with an elongated dipyridyl building block and various anionic co-ligands","CrystEngComm","2008","10","12","1855","","10.1039/b810121c","","","0.71073","MoKα","","0.1134","0.0755","","","0.2185","0.2426","","","","","","1.065","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202334","13.6564","0.0004","13.6564","0.0004","6.1296","0.0002","90","","90","","120","","990","0.05","293","2","293","2","","","","","","","","6","P -3","-P 3","147","","","","- C36 H36 Cl2 Mn N6 O14 -","- C36 H36 Cl2 Mn N6 O14 -","- C36 H36 Cl2 Mn N6 O14 -","1","0.166667","","Sun, Hao-Ling; Wang, Zhe-Ming; Gao, Song; Batten, Stuart R.","Transition metal coordination frameworks with bridges of 1,2-bis(4-pyridyl)ethane-N,N′-dioxide incorporating anions of different size","CrystEngComm","2008","10","12","1796","","10.1039/b810245g","","","0.71073","MoKα","","0.0718","0.055","","","0.1766","0.1851","","","","","","1.107","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202335","5.8754","0.0002","13.367","0.0003","14.6338","0.0004","114.664","0.002","99.732","0.001","95.8","0.001","1010.34","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H40 Cl2 Cu N6 O16 -","- C36 H40 Cl2 Cu N6 O16 -","- C36 H40 Cl2 Cu N6 O16 -","1","0.5","","Sun, Hao-Ling; Wang, Zhe-Ming; Gao, Song; Batten, Stuart R.","Transition metal coordination frameworks with bridges of 1,2-bis(4-pyridyl)ethane-N,N′-dioxide incorporating anions of different size","CrystEngComm","2008","10","12","1796","","10.1039/b810245g","","","0.71073","MoKα","","0.0763","0.0464","","","0.1262","0.1358","","","","","","0.973","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202336","9.9989","0.0001","23.927","0.0003","15.182","0.0003","90","","91.3545","0.0005","90","","3631.18","0.09","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C84 H76 B2 Mn N6 O6 -","- C84 H76 B2 Mn N6 O6 -","- C168 H152 B4 Mn2 N12 O12 -","2","0.5","","Sun, Hao-Ling; Wang, Zhe-Ming; Gao, Song; Batten, Stuart R.","Transition metal coordination frameworks with bridges of 1,2-bis(4-pyridyl)ethane-N,N′-dioxide incorporating anions of different size","CrystEngComm","2008","10","12","1796","","10.1039/b810245g","","","0.71073","MoKα","","0.1027","0.0398","","","0.0907","0.1028","","","","","","0.909","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202337","9.7203","0.0001","25.4382","0.0004","14.571","0.0002","90","","93.702","0.001","90","","3595.41","0.08","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C84 H76 B2 Co N6 O6 -","- C84 H76 B2 Co N6 O6 -","- C168 H152 B4 Co2 N12 O12 -","2","0.5","","Sun, Hao-Ling; Wang, Zhe-Ming; Gao, Song; Batten, Stuart R.","Transition metal coordination frameworks with bridges of 1,2-bis(4-pyridyl)ethane-N,N′-dioxide incorporating anions of different size","CrystEngComm","2008","10","12","1796","","10.1039/b810245g","","","0.71073","MoKα","","0.0847","0.0391","","","0.09","0.0995","","","","","","0.959","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202338","29.612","0.002","16.8947","0.0007","19.6973","0.0015","90","","114.532","0.003","90","","8964.7","1","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C36 H45 Cl2 Co N4 O12.5 -","- C36 H28 Cl2 Co N4 O12.5 -","- C288 H224 Cl16 Co8 N32 O100 -","8","2","","Yao, Qing-Xia; Ju, Zhan-Feng; Li, Wei; Wu, Wei; Zheng, Shou-Tian; Zhang, Jie","Unprecedented 3D polycatenation based on ribbons of rings found in two metallosupramolecular polymers whose open frameworks show reversible collapse upon de- and rehydration","CrystEngComm","2008","10","10","1299","","10.1039/b810523p","","","0.71073","MoKα","","0.1039","0.0885","","","0.2488","0.2731","","","","","","1.058","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202339","9.3502","0.0006","12.0861","0.0008","13.0114","0.0008","85.508","0.001","80.521","0.001","72.623","0.001","1383.45","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H23 Ag Cl2 N8 O5 -","- C26 H23 Ag Cl2 N8 O5 -","- C52 H46 Ag2 Cl4 N16 O10 -","2","1","","Chandran, Sreekanth K.; Thakuria, Ranjit; Nangia, Ashwini","Silver(I) complexes of N-4-halophenyl-N′-4-pyridyl ureas. Isostructurality, urea⋯nitrate hydrogen bonding, and Ag⋯halogen interaction","CrystEngComm","2008","10","12","1891","","10.1039/b810549a","","","0.71073","MoKα","","0.0258","0.0246","","","0.0598","0.0605","","","","","","1.086","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202340","9.5477","0.0005","12.3303","0.0006","12.8922","0.0007","84.597","0.001","79.376","0.001","71.709","0.001","1415.29","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H23 Ag Br2 N8 O5 -","- C26 H23 Ag Br2 N8 O5 -","- C52 H46 Ag2 Br4 N16 O10 -","2","1","","Chandran, Sreekanth K.; Thakuria, Ranjit; Nangia, Ashwini","Silver(I) complexes of N-4-halophenyl-N′-4-pyridyl ureas. Isostructurality, urea⋯nitrate hydrogen bonding, and Ag⋯halogen interaction","CrystEngComm","2008","10","12","1891","","10.1039/b810549a","","","0.71073","MoKα","","0.0229","0.0212","","","0.0542","0.055","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202341","13.276","0.001","15.0546","0.0012","17.5415","0.0014","107.806","0.001","105.093","0.001","106.984","0.001","2947.6","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H23 Ag I2 N8 O5 -","- C26 H23 Ag I2 N8 O5 -","- C104 H92 Ag4 I8 N32 O20 -","4","2","","Chandran, Sreekanth K.; Thakuria, Ranjit; Nangia, Ashwini","Silver(I) complexes of N-4-halophenyl-N′-4-pyridyl ureas. Isostructurality, urea⋯nitrate hydrogen bonding, and Ag⋯halogen interaction","CrystEngComm","2008","10","12","1891","","10.1039/b810549a","","","0.71073","MoKα","","0.056","0.0379","","","0.0793","0.0863","","","","","","1.013","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202342","10.3793","0.0009","11.5395","0.001","12.498","0.0011","95.354","0.001","101.583","0.001","112.409","0.001","1331.6","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H23 Ag F2 N8 O5 -","- C26 H23 Ag F2 N8 O5 -","- C52 H46 Ag2 F4 N16 O10 -","2","1","","Chandran, Sreekanth K.; Thakuria, Ranjit; Nangia, Ashwini","Silver(I) complexes of N-4-halophenyl-N′-4-pyridyl ureas. Isostructurality, urea⋯nitrate hydrogen bonding, and Ag⋯halogen interaction","CrystEngComm","2008","10","12","1891","","10.1039/b810549a","","","0.71073","MoKα","","0.0308","0.0278","","","0.067","0.0684","","","","","","1.053","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202343","16.6486","0.0016","10.3266","0.001","32.967","0.003","90","","90.225","0.002","90","","5667.8","0.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H49 Ag2 F4 N17 O10 -","- C54 H49 Ag2 F4 N17 O10 -","- C216 H196 Ag8 F16 N68 O40 -","4","1","","Chandran, Sreekanth K.; Thakuria, Ranjit; Nangia, Ashwini","Silver(I) complexes of N-4-halophenyl-N′-4-pyridyl ureas. Isostructurality, urea⋯nitrate hydrogen bonding, and Ag⋯halogen interaction","CrystEngComm","2008","10","12","1891","","10.1039/b810549a","","","0.71073","MoKα","","0.0934","0.0672","","","0.1253","0.1336","","","","","","1.175","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202344","19.4555","0.0012","25.7212","0.0016","10.2172","0.0006","90","","102.625","0.001","90","","4989.3","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H47 Ag2 N15 O10 -","- C50 H47 Ag2 N15 O10 -","- C200 H188 Ag8 N60 O40 -","4","1","","Chandran, Sreekanth K.; Thakuria, Ranjit; Nangia, Ashwini","Silver(I) complexes of N-4-halophenyl-N′-4-pyridyl ureas. Isostructurality, urea⋯nitrate hydrogen bonding, and Ag⋯halogen interaction","CrystEngComm","2008","10","12","1891","","10.1039/b810549a","","","0.71073","MoKα","","0.0378","0.0307","","","0.0742","0.0787","","","","","","1.041","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202345","9.7667","0.0017","12.505","0.002","12.752","0.002","83.684","0.003","78.689","0.003","70.921","0.002","1441.5","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H23 Ag Br1.09 I0.91 N8 O5 -","- C26 H23 Ag Br1.09 I0.91 N8 O5 -","- C52 H46 Ag2 Br2.18 I1.82 N16 O10 -","2","1","","Chandran, Sreekanth K.; Thakuria, Ranjit; Nangia, Ashwini","Silver(I) complexes of N-4-halophenyl-N′-4-pyridyl ureas. Isostructurality, urea⋯nitrate hydrogen bonding, and Ag⋯halogen interaction","CrystEngComm","2008","10","12","1891","","10.1039/b810549a","","","0.71073","MoKα","","0.0718","0.0555","","","0.1412","0.1577","","","","","","1.058","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7202346","9.6987","0.0007","12.4579","0.0009","12.7686","0.0009","84.01","0.001","78.78","0.001","71.024","0.001","1429.64","0.18","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H23 Ag Br1.46 I0.54 N8 O5 -","- C26 H23 Ag Br1.481 I0.519 N8 O5 -","- C52 H46 Ag2 Br2.962 I1.038 N16 O10 -","2","1","","Chandran, Sreekanth K.; Thakuria, Ranjit; Nangia, Ashwini","Silver(I) complexes of N-4-halophenyl-N′-4-pyridyl ureas. Isostructurality, urea⋯nitrate hydrogen bonding, and Ag⋯halogen interaction","CrystEngComm","2008","10","12","1891","","10.1039/b810549a","","","0.71073","MoKα","","0.0359","0.0283","","","0.0643","0.067","","","","","","1.05","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7202347","9.5811","0.0009","12.3598","0.0012","12.8807","0.0013","84.463","0.002","79.304","0.002","71.599","0.002","1421","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H23 Ag Br1.94 I0.06 N8 O5 -","- C26 H23 Ag Br1.937 I0.063 N8 O5 -","- C52 H46 Ag2 Br3.874 I0.126 N16 O10 -","2","1","","Chandran, Sreekanth K.; Thakuria, Ranjit; Nangia, Ashwini","Silver(I) complexes of N-4-halophenyl-N′-4-pyridyl ureas. Isostructurality, urea⋯nitrate hydrogen bonding, and Ag⋯halogen interaction","CrystEngComm","2008","10","12","1891","","10.1039/b810549a","","","0.71073","MoKα","","0.0375","0.0289","","","0.0669","0.0701","","","","","","1.044","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7202348","10.847","0.002","11.107","0.002","11.483","0.002","82.93","0.03","63.02","0.03","62.12","0.03","1082.8","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H26 Co2 O20 -","- C10 H26 Co2 O20 -","- C20 H52 Co4 O40 -","2","1","","Fabelo, Oscar; Pasán, Jorge; Cañadillas-Delgado, Laura; Delgado, Fernando S.; Labrador, Ana; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Well-resolved unusual alternating cyclic water tetramers embedded in a crystal host","CrystEngComm","2008","10","12","1743","","10.1039/b810605c","","x-ray","0.7293","synchrotron","","0.0337","0.0324","","","0.0965","0.0987","","","","","","1.075","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202349","6.1375","0.0006","15.5472","0.0015","25.751","0.003","90","","90","","90","","2457.2","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3beta-hydroxypregn-5-en-20-one+4iodophenol cocrystal","3β-hydroxypregn-5-en-20-one+4iodophenol cocrystal","","- C27 H37 I O3 -","- C27 H37 I O3 -","- C108 H148 I4 O12 -","4","1","","Bhatt, Prashant M.; Desiraju, Gautam R.","Co-crystal formation and the determination of absolute configuration","CrystEngComm","2008","10","12","1747","","10.1039/b810643f","","","0.71073","MoKα","","0.0247","0.0236","","","0.0537","0.0542","","","","","","1.047","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202350","12.211","0.005","6.166","0.002","17.398","0.007","90","","102.607","0.007","90","","1278.4","0.8","298","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","3beta-hydroxypregn-5-en-20-one+2,4,6-trichlrophenol cocrystal","3β-hydroxypregn-5-en-20-one+2,4,6-trichlrophenol cocrystal","","- C27 H35 Cl3 O3 -","- C27 H28 Cl3 O3 -","- C54 H56 Cl6 O6 -","2","1","","Bhatt, Prashant M.; Desiraju, Gautam R.","Co-crystal formation and the determination of absolute configuration","CrystEngComm","2008","10","12","1747","","10.1039/b810643f","","","0.71073","MoKα","","0.2232","0.1066","","","0.2241","0.2848","","","","","","1.019","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202351","6.3022","0.0004","10.2952","0.0006","41.964","0.003","90","","91.032","0.001","90","","2722.3","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","Cholesterol-4iodophenol(2:1) cocrystal","Cholesterol-4iodophenol(2:1) cocrystal","","- C60 H97 I O3 -","- C60 H92 I O3 -","- C120 H184 I2 O6 -","2","1","","Bhatt, Prashant M.; Desiraju, Gautam R.","Co-crystal formation and the determination of absolute configuration","CrystEngComm","2008","10","12","1747","","10.1039/b810643f","","","0.71073","MoKα","","0.0477","0.0438","","","0.1011","0.103","","","","","","1.096","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202352","8.6899","0.001","7.2501","0.0009","18.504","0.002","90","","92.506","0.002","90","","1164.7","0.2","298","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","Lamivudine + Zidovudine hydrate","Lamivudine + Zidovudine hydrate","","- C18 H26 N8 O8 S -","- C18 H26 N8 O8 S -","- C36 H52 N16 O16 S2 -","2","1","","Bhatt, Prashant M.; Desiraju, Gautam R.","Co-crystal formation and the determination of absolute configuration","CrystEngComm","2008","10","12","1747","","10.1039/b810643f","","","0.71073","MoKα","","0.0408","0.0374","","","0.0965","0.0993","","","","","","1.034","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202353","9.6984","0.0006","13.2334","0.0009","13.7678","0.0009","103.273","0.002","109.719","0.002","95.579","0.002","1589.25","0.18","173","2","173","2","","","","","","","","7","P -1","-P 1","2","bis(5-chloro-2-methylisothiazol-3(2H)-one)silver(i) perchlorate","","","- C16 H16 Ag2 Cl6 N4 O12 S4 -","- C16 H16 Ag2 Cl6 N4 O12 S4 -","- C32 H32 Ag4 Cl12 N8 O24 S8 -","2","1","","Kato, Masaru; Fujihara, Takashi; Yano, Daisaku; Nagasawa, Akira","Anion influence on the coordination polymer structures of silver(I) complexes with 2-methylisothiazol-3(2H)-one","CrystEngComm","2008","10","10","1460","","10.1039/b810652p","","","0.71073","MoKα","","0.0874","0.0576","","","0.1172","0.1304","","","","","","1.015","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202354","9.4051","0.0008","10.6733","0.001","10.0219","0.0009","90","","97.482","0.002","90","","997.47","0.15","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","bis(2-methylisothiazol-3(2H)-one)silver(i) nitrate","","","- C4 H5 Ag2 N3 O7 S -","- C4 H5 Ag2 N3 O7 S -","- C16 H20 Ag8 N12 O28 S4 -","4","1","","Kato, Masaru; Fujihara, Takashi; Yano, Daisaku; Nagasawa, Akira","Anion influence on the coordination polymer structures of silver(I) complexes with 2-methylisothiazol-3(2H)-one","CrystEngComm","2008","10","10","1460","","10.1039/b810652p","","","0.71073","MoKα","","0.0499","0.0392","","","0.0768","0.0803","","","","","","1.078","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202355","14.0018","0.001","21.6139","0.0015","9.7482","0.0007","90","","110.892","0.002","90","","2756.2","0.3","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","bis(2-methylisothiazol-3(2H)-one)silver(i) perchlorate","","","- C8 H10 Ag Cl N2 O6 S2 -","- C8 H10 Ag Cl N2 O6 S2 -","- C64 H80 Ag8 Cl8 N16 O48 S16 -","8","1","","Kato, Masaru; Fujihara, Takashi; Yano, Daisaku; Nagasawa, Akira","Anion influence on the coordination polymer structures of silver(I) complexes with 2-methylisothiazol-3(2H)-one","CrystEngComm","2008","10","10","1460","","10.1039/b810652p","","","0.71073","MoKα","","0.0666","0.0575","","","0.1375","0.1433","","","","","","1.053","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202356","14.633","0.003","22.429","0.005","10.935","0.002","90","","116.46","0.03","90","","3213","1.4","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","bis(2-methylisothiazol-3(2H)-one)silver(i) hexafluoroantimonate","","","- C8 H10 Ag F6 N2 O2 S2 Sb -","- C8 H5 Ag F6 N2 O2 S2 Sb -","- C64 H40 Ag8 F48 N16 O16 S16 Sb8 -","8","1","","Kato, Masaru; Fujihara, Takashi; Yano, Daisaku; Nagasawa, Akira","Anion influence on the coordination polymer structures of silver(I) complexes with 2-methylisothiazol-3(2H)-one","CrystEngComm","2008","10","10","1460","","10.1039/b810652p","","","0.71073","MoKα","","0.062","0.0492","","","0.1214","0.1284","","","","","","1.078","","","","has coordinates,has disorder","180354","2020-10-21","18:00:00",""
"7202357","9.3344","0.0006","11.822","0.003","4.7387","0.0003","90","","90","","90","","522.92","0.14","293","","293","","","","1000000","","","","","4","P 21 21 21","P 2ac 2ab","19","Serine Monohydrate","","","- C3 H9 N O4 -","- C3 H9 N O4 -","- C12 H36 N4 O16 -","4","1","","Johnstone, Russell D. L.; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Parsons, Simon; Pidcock, Elna; Warren, John E.","High-pressure polymorphism in L-serine monohydrate: identification of driving forces in high pressure phase transitions and possible implications for pressure-induced protein denaturation","CrystEngComm","2008","10","12","1758","","10.1039/b810746g","","","0.4865","synchrotron","","0.0531","0.0408","","0.0427","0.0411","0.0427","","","","","","1.0694","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202358","9.3563","0.0006","11.443","0.002","4.6166","0.0003","90","","90","","90","","494.27","0.1","293","","293","","","","2600000","","","","","4","P 21 21 21","P 2ac 2ab","19","Serine Monohydrate","","","- C3 H9 N O4 -","- C3 H9 N O4 -","- C12 H36 N4 O16 -","4","1","","Johnstone, Russell D. L.; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Parsons, Simon; Pidcock, Elna; Warren, John E.","High-pressure polymorphism in L-serine monohydrate: identification of driving forces in high pressure phase transitions and possible implications for pressure-induced protein denaturation","CrystEngComm","2008","10","12","1758","","10.1039/b810746g","","","0.4865","synchrotron","","0.0517","0.0419","","0.0497","0.0478","0.0497","","","","","","0.9923","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202359","9.3706","0.0006","11.204","0.002","4.5341","0.0003","90","","90","","90","","476.03","0.1","293","","293","","","","3700000","","","","","4","P 21 21 21","P 2ac 2ab","19","Serine Monohydrate","","","- C3 H9 N O4 -","- C3 H9 N O4 -","- C12 H36 N4 O16 -","4","1","","Johnstone, Russell D. L.; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Parsons, Simon; Pidcock, Elna; Warren, John E.","High-pressure polymorphism in L-serine monohydrate: identification of driving forces in high pressure phase transitions and possible implications for pressure-induced protein denaturation","CrystEngComm","2008","10","12","1758","","10.1039/b810746g","","","0.4865","Synchrotron","","0.0546","0.0418","","0.0781","0.0947","0.07813","","","","","","1.559","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202360","9.3701","0.0014","11.1831","0.001","4.52938","0.00059","90","","90","","90","","474.62","0.1","298","","298","","3805000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Serine hydrate","perdeuterated L-serine hydrate","","- C3 D9 N O4 -","- C3 D9 N O4 -","- C12 D36 N4 O16 -","4","1","","Johnstone, Russell D. L.; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Parsons, Simon; Pidcock, Elna; Warren, John E.","High-pressure polymorphism in L-serine monohydrate: identification of driving forces in high pressure phase transitions and possible implications for pressure-induced protein denaturation","CrystEngComm","2008","10","12","1758","","10.1039/b810746g","powder diffraction","neutron","","Neutron","","","","","","","","","","1.121","","","","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202361","9.3728","0.0005","11.0359","0.0017","4.4782","0.0003","90","","90","","90","","463.21","0.08","293","","293","","","","4500000","","","","","4","P 21 21 21","P 2ac 2ab","19","Serine Monohydrate","","","- C3 H9 N O4 -","- C3 H9 N O4 -","- C12 H36 N4 O16 -","4","1","","Johnstone, Russell D. L.; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Parsons, Simon; Pidcock, Elna; Warren, John E.","High-pressure polymorphism in L-serine monohydrate: identification of driving forces in high pressure phase transitions and possible implications for pressure-induced protein denaturation","CrystEngComm","2008","10","12","1758","","10.1039/b810746g","","","0.4865","synchrotron","","0.0465","0.0381","","0.0436","0.0421","0.0436","","","","","","0.8385","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202362","9.8778","0.0013","10.155","0.004","4.4175","0.0007","90","","90","","90","","443.1","0.2","293","","293","","","","5200000","","","","","4","P 21 21 21","P 2ac 2ab","19","Serine Monohydrate","","","- C3 H9 N O4 -","- C3 H9 N O4 -","- C12 H36 N4 O16 -","4","1","","Johnstone, Russell D. L.; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Parsons, Simon; Pidcock, Elna; Warren, John E.","High-pressure polymorphism in L-serine monohydrate: identification of driving forces in high pressure phase transitions and possible implications for pressure-induced protein denaturation","CrystEngComm","2008","10","12","1758","","10.1039/b810746g","","","0.4865","synchrotron","","0.1128","0.0718","","0.111","0.1032","0.111","","","","","","1.67","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202363","9.8641","0.0014","10.0991","0.00093","4.3986","0.00065","90","","90","","90","","438.18","0.1","298","","298","","5810000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Serine hydrate","perdeuterated L-serine hydrate","","- C3 D9 N O4 -","- C3 D9 N O4 -","- C12 D36 N4 O16 -","4","1","","Johnstone, Russell D. L.; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Parsons, Simon; Pidcock, Elna; Warren, John E.","High-pressure polymorphism in L-serine monohydrate: identification of driving forces in high pressure phase transitions and possible implications for pressure-induced protein denaturation","CrystEngComm","2008","10","12","1758","","10.1039/b810746g","powder diffraction","neutron","","Neutron","","","","","","","","","","1.211","","","","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202364","30.328","0.006","7.3131","0.0015","15.67","0.003","90","","118.22","0.03","90","","3062.4","1.4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H26 Ag2 B2 F8 N12 O -","- C24 H24 Ag2 B2 F8 N12 O -","- C96 H96 Ag8 B8 F32 N48 O4 -","4","0.5","","Du, Jian-Long; Hu, Tong-Liang; Zhang, Shu-Ming; Zeng, Yong-Fei; Bu, Xian-He","Tuning silver(I) coordination architectures by ligands design: from dinuclear, trinuclear, to 1D and 3D frameworks","CrystEngComm","2008","10","12","1866","","10.1039/b810773d","","","0.71073","MoKα","","0.0871","0.0629","","","0.1412","0.1549","","","","","","1.005","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202365","8.4723","0.0017","9.6587","0.0019","21.283","0.004","90","","90","","90","","1741.6","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 Ag2 N8 O6 -","- C12 H12 Ag2 N8 O6 -","- C48 H48 Ag8 N32 O24 -","4","1","","Du, Jian-Long; Hu, Tong-Liang; Zhang, Shu-Ming; Zeng, Yong-Fei; Bu, Xian-He","Tuning silver(I) coordination architectures by ligands design: from dinuclear, trinuclear, to 1D and 3D frameworks","CrystEngComm","2008","10","12","1866","","10.1039/b810773d","","","0.71073","MoKα","","0.0457","0.0352","","","0.0541","0.0562","","","","","","1.104","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202366","4.4484","0.0009","7.2739","0.0015","12.024","0.002","84.31","0.03","87.7","0.03","81.05","0.03","382.31","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H12 Ag N7 O3 -","- C12 H12 Ag N7 O3 -","- C12 H12 Ag N7 O3 -","1","0.5","","Du, Jian-Long; Hu, Tong-Liang; Zhang, Shu-Ming; Zeng, Yong-Fei; Bu, Xian-He","Tuning silver(I) coordination architectures by ligands design: from dinuclear, trinuclear, to 1D and 3D frameworks","CrystEngComm","2008","10","12","1866","","10.1039/b810773d","","","0.71073","MoKα","","0.0613","0.0423","","","0.0895","0.0965","","","","","","1.089","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202367","35.56","0.008","25.36","0.01","24.868","0.005","90","","90","","90","","22426","11","293","2","293","2","","","","","","","","7","C c c a :2","-C 2a 2ac","68","","","","- C144 H168 Ag12 F36 N72 O14 Si6 -","- C144 H168 Ag12 F36 N72 O14 Si6 -","- C576 H672 Ag48 F144 N288 O56 Si24 -","4","0.25","","Du, Jian-Long; Hu, Tong-Liang; Zhang, Shu-Ming; Zeng, Yong-Fei; Bu, Xian-He","Tuning silver(I) coordination architectures by ligands design: from dinuclear, trinuclear, to 1D and 3D frameworks","CrystEngComm","2008","10","12","1866","","10.1039/b810773d","","","0.71073","MoKα","","0.2648","0.1471","","","0.3549","0.4502","","","","","","1.429","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202368","11.825","0.002","13.982","0.003","17.485","0.004","72.81","0.03","71.67","0.03","75.76","0.03","2584.1","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H46 Ag2 N14 O7 -","- C56 H44 Ag2 N14 O7 -","- C112 H88 Ag4 N28 O14 -","2","1","","Du, Jian-Long; Hu, Tong-Liang; Zhang, Shu-Ming; Zeng, Yong-Fei; Bu, Xian-He","Tuning silver(I) coordination architectures by ligands design: from dinuclear, trinuclear, to 1D and 3D frameworks","CrystEngComm","2008","10","12","1866","","10.1039/b810773d","","","0.71073","MoKα","","0.0928","0.0582","","","0.1294","0.1448","","","","","","1.017","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202369","7.8598","0.0016","23.614","0.005","15.059","0.003","90","","99.26","0.03","90","","2758.5","1","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C124 H88 Ag4 N20 O16 -","- C124 H88 Ag4 N20 O15.96 -","- C124 H88 Ag4 N20 O15.96 -","1","0.125","","Du, Jian-Long; Hu, Tong-Liang; Zhang, Shu-Ming; Zeng, Yong-Fei; Bu, Xian-He","Tuning silver(I) coordination architectures by ligands design: from dinuclear, trinuclear, to 1D and 3D frameworks","CrystEngComm","2008","10","12","1866","","10.1039/b810773d","","","0.71073","MoKα","","0.0987","0.0844","","","0.2106","0.2238","","","","","","1.13","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202370","15.154","0.009","11.571","0.007","8.027","0.005","90","","111.637","0.01","90","","1308.3","1.4","300","2","300","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C14 H8 S4 -","- C14 H8 S4 -","- C56 H32 S16 -","4","1","","Brillante, Aldo; Bilotti, Ivano; Della Valle, Raffaele Guido; Venuti, Elisabetta; Milita, Silvia; Dionigi, Chiara; Borgatti, Francesco; Lazar, Adina Nicoleta; Biscarini, Fabio; Mas-Torrent, Marta; Oxtoby, Neil S.; Crivillers, Nuria; Veciana, Jaume; Rovira, Concepció; Leufgen, Michael; Schmidt, Georg; Molenkamp, Laurens W.","The four polymorphic modifications of the semiconductor dibenzo-tetrathiafulvalene","CrystEngComm","2008","10","12","1899","","10.1039/b810993a","","","0.71073","MoKα","","0.0786","0.0553","","","0.1242","0.1343","","","","","","0.943","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202371","20.684","0.002","10.3021","0.001","19.5142","0.001","90","","109.332","0.001","90","","3923.8","0.6","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C53 H41 O5 -","- C53 H41 O5 -","- C212 H164 O20 -","4","1","","Kuroda, Reiko; Sato, Tomohiro; Imai, Yoshitane","Varied charge-transfer complex crystals formed between diols and benzoquinone in the solid and solution states","CrystEngComm","2008","10","12","1881","","10.1039/b811141c","","","0.71073","MoKα","","0.1041","0.0484","","","0.0947","0.1068","","","","","","0.906","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202372","6.7679","0.0002","8.6829","0.0004","14.9689","0.0005","90","","100.679","0.002","90","","864.41","0.06","173","2","173","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H14 Cl N3 -","- C7 H14 Cl N3 -","- C28 H56 Cl4 N12 -","4","1","","Khalaf, Majid S.; Oakley, Sarah H.; Coles, Martyn P.; Hitchcock, Peter B.","A strategy for the propagation of hydrogen-bonding in bicyclic guanidinium salts","CrystEngComm","2008","","","","","10.1039/b811191j","","x-ray","0.71073","MoKα","","0.0375","0.0331","","","0.083","0.0865","","","","","","1.041","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202373","6.8903","0.0003","8.803","0.0004","15.1958","0.0008","90","","99.411","0.002","90","","909.3","0.07","173","2","173","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H14 Br N3 -","- C7 H14 Br N3 -","- C28 H56 Br4 N12 -","4","1","","Khalaf, Majid S.; Oakley, Sarah H.; Coles, Martyn P.; Hitchcock, Peter B.","A strategy for the propagation of hydrogen-bonding in bicyclic guanidinium salts","CrystEngComm","2008","","","","","10.1039/b811191j","","x-ray","0.71073","MoKα","","0.0726","0.0493","","","0.1053","0.1144","","","","","","1.151","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202374","9.6479","0.0001","9.6479","0.0001","27.5887","0.0003","90","","90","","90","","2568.01","0.05","173","2","173","2","","","","","","","synthesis as described","4","P 41 21 2","P 4abw 2nw","92","","","","- C31 H34 B N3 -","- C31 H34 B N3 -","- C124 H136 B4 N12 -","4","0.5","","Khalaf, Majid S.; Oakley, Sarah H.; Coles, Martyn P.; Hitchcock, Peter B.","A strategy for the propagation of hydrogen-bonding in bicyclic guanidinium salts","CrystEngComm","2008","","","","","10.1039/b811191j","","x-ray","0.71073","MoKα","","0.0566","0.0542","","","0.1361","0.1387","","","","","","1.04","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202375","13.5414","0.0005","13.5232","0.0005","16.1341","0.0005","90","","101.462","0.002","90","","2895.6","0.18","173","2","173","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H10 Cl N3 -","- C5 H10 Cl N3 -","- C80 H160 Cl16 N48 -","16","4","","Khalaf, Majid S.; Oakley, Sarah H.; Coles, Martyn P.; Hitchcock, Peter B.","A strategy for the propagation of hydrogen-bonding in bicyclic guanidinium salts","CrystEngComm","2008","","","","","10.1039/b811191j","","x-ray","0.71073","MoKα","","0.0849","0.0484","","","0.101","0.1155","","","","","","1.054","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202376","9.6584","0.0006","11.3064","0.0007","13.3168","0.0008","69.157","0.001","84.663","0.001","78.634","0.001","1331.98","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","bis adenine copper complex","","","- C21 H29 Cl2 Cu N10 O2 -","- C21 H29 Cl2 Cu N10 O2 -","- C42 H58 Cl4 Cu2 N20 O4 -","2","1","","Mishra, Ashutosh Kumar; Purohit, Chandra Shekhar; Verma, Sandeep","Contrasting crystallographic signatures of Ag(i)- and Cu(ii)-N6,N6′- bisadenine complexes: extended vs. foldback geometries","CrystEngComm","2008","10","10","1296","","10.1039/b811205n","","","0.71073","MoKα","","0.0998","0.068","","","0.1767","0.2664","","","","","","1.148","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202377","8.7535","0.0014","13.673","0.002","43.743","0.007","90","","90","","90","","5235.5","1.4","293","2","293","2","","","","","","","","5","I b c a","-I 2b 2c","73","Bisadenine silver complex","","","- C19 H26 Ag N11 O6 -","- C19 H26 Ag N11 O6 -","- C152 H208 Ag8 N88 O48 -","8","0.5","","Mishra, Ashutosh Kumar; Purohit, Chandra Shekhar; Verma, Sandeep","Contrasting crystallographic signatures of Ag(i)- and Cu(ii)-N6,N6′- bisadenine complexes: extended vs. foldback geometries","CrystEngComm","2008","10","10","1296","","10.1039/b811205n","","","0.71073","MoKα","","0.0897","0.0728","","","0.2114","0.2372","","","","","","1.046","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202378","14.566","0.003","7.4368","0.0014","6.2542","0.0012","90","","96.822","0.004","90","","672.7","0.2","300","","300","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","E,E,E-1,6-diphenyl-1,3,5-hexatriene","","- C18 H16 -","- C18 H16 -","- C36 H32 -","2","0.5","","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Conformational change of all-trans-1,6-diphenyl-1,3,5-hexatriene in two crystalline forms","CrystEngComm","2008","10","12","1777","","10.1039/b811220g","","","0.71073","MoKα","","0.0882","0.0516","","","0.124","0.1481","","","","","","1.028","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202379","14.4012","0.0013","7.2212","0.0006","6.2416","0.0006","90","","96.338","0.002","90","","645.12","0.1","90","","90","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","E,E,E-1,6-diphenyl-1,3,5-hexatriene","","- C18 H16 -","- C18 H16 -","- C36 H32 -","2","0.5","","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Conformational change of all-trans-1,6-diphenyl-1,3,5-hexatriene in two crystalline forms","CrystEngComm","2008","10","12","1777","","10.1039/b811220g","","","0.71073","MoKα","","0.0504","0.0428","","","0.109","0.1149","","","","","","1.044","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202380","7.7403","0.0005","9.8733","0.0007","18.1285","0.0013","90","","90","","90","","1385.42","0.17","300","","300","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","E,E,E-1,6-diphenyl-1,3,5-hexatriene","","- C18 H16 -","- C18 H16 -","- C72 H64 -","4","0.5","","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Conformational change of all-trans-1,6-diphenyl-1,3,5-hexatriene in two crystalline forms","CrystEngComm","2008","10","12","1777","","10.1039/b811220g","","","0.71073","MoKα","","0.0771","0.0417","","","0.0923","0.1139","","","","","","1.009","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202381","7.4842","0.0003","10.0656","0.0004","17.6698","0.0007","90","","90","","90","","1331.12","0.09","90","","90","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","E,E,E-1,6-diphenylhexatriene","","- C18 H16 -","- C18 H16 -","- C72 H64 -","4","0.5","","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Conformational change of all-trans-1,6-diphenyl-1,3,5-hexatriene in two crystalline forms","CrystEngComm","2008","10","12","1777","","10.1039/b811220g","","","0.71073","MoKα","","0.0484","0.0432","","","0.1141","0.1187","","","","","","1.047","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202382","7.883","0.002","9.67","0.003","18.529","0.005","90","","90","","90","","1412.4","0.7","370","","370","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","E,E,E-1,6-diphenyl-1,3,5-hexatriene","","- C18 H16 -","- C18 H16 -","- C72 H64 -","4","0.5","","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Conformational change of all-trans-1,6-diphenyl-1,3,5-hexatriene in two crystalline forms","CrystEngComm","2008","10","12","1777","","10.1039/b811220g","","","0.71073","MoKα","","0.1142","0.054","","","0.1712","0.2354","","","","","","1.022","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202383","7.7439","0.0005","9.8691","0.0007","18.1365","0.0012","90","","90","","90","","1386.09","0.16","300","","300","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","E,E,E-1,6-diphenyl-1,3,5-hexatriene","","- C18 H16 -","- C18 H16 -","- C72 H64 -","4","0.5","","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Conformational change of all-trans-1,6-diphenyl-1,3,5-hexatriene in two crystalline forms","CrystEngComm","2008","10","12","1777","","10.1039/b811220g","","","0.71073","MoKα","","0.0816","0.0398","","","0.09","0.113","","","","","","0.994","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202389","14.6382","0.0016","3.8142","0.0006","23.812","0.003","90","","101.146","0.011","90","","1304.4","0.3","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C7 H5 Cl O2 -","- C7 H5 Cl O2 -","- C56 H40 Cl8 O16 -","8","1","","Polito, Marco; D'Oria, Emiliana; Maini, Lucia; Karamertzanis, Panagiotis G.; Grepioni, Fabrizia; Braga, Dario; Price, Sarah L.","The crystal structures of chloro and methyl ortho-benzoic acids and their co-crystal: rationalizing similarities and differences","CrystEngComm","2008","10","12","1848","","10.1039/b811438b","","","0.71073","MoKα","","0.0588","0.0455","","","0.1116","0.1185","","","","","","0.994","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202390","3.8267","0.0003","23.26","0.002","7.6502","0.0001","90","","104.372","0.007","90","","659.63","0.08","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H13 Cl O4 -","- C15 H13 Cl O4 -","- C30 H26 Cl2 O8 -","2","1","","Polito, Marco; D'Oria, Emiliana; Maini, Lucia; Karamertzanis, Panagiotis G.; Grepioni, Fabrizia; Braga, Dario; Price, Sarah L.","The crystal structures of chloro and methyl ortho-benzoic acids and their co-crystal: rationalizing similarities and differences","CrystEngComm","2008","10","12","1848","","10.1039/b811438b","","","0.71073","MoKα","","0.0551","0.0433","","","0.1141","0.1235","","","","","","0.953","","","","has coordinates,has disorder","180354","2020-10-21","18:00:00",""
"7202391","4.831","0.003","19.42","0.006","7.7608","0.0019","90","","106.87","0.03","90","","696.8","0.5","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C8 H8 O2 -","- C8 H8 O2 -","- C32 H32 O8 -","4","1","","Polito, Marco; D'Oria, Emiliana; Maini, Lucia; Karamertzanis, Panagiotis G.; Grepioni, Fabrizia; Braga, Dario; Price, Sarah L.","The crystal structures of chloro and methyl ortho-benzoic acids and their co-crystal: rationalizing similarities and differences","CrystEngComm","2008","10","12","1848","","10.1039/b811438b","","","0.71073","MoKα","","0.1211","0.0526","","","0.1368","0.2296","","","","","","0.622","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202392","9.5846","0.0012","10.1883","0.0013","14.561","0.002","88.801","0.002","81.921","0.002","63.489","0.002","1258.3","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H52 N6 O12 S4 -","- C48 H52 N6 O12 S4 -","- C48 H52 N6 O12 S4 -","1","0.5","","Hamblin, Jacqueline; Argent, Stephen P.; Blake, Alexander J.; Wilson, Claire; Champness, Neil R.","Hydrogen-bonding tectons for the construction of bimolecular framework materials","CrystEngComm","2008","10","12","1782","","10.1039/b811462e","","","0.71073","MoKα","","0.0643","0.0486","","","0.119","0.1263","","","","","","0.963","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202393","6.54","0.002","7.502","0.002","8.185","0.002","90.704","0.005","91.595","0.004","93.648","0.005","400.57","0.19","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H18 N4 O4 -","- C18 H18 N4 O4 -","- C18 H18 N4 O4 -","1","0.5","","Hamblin, Jacqueline; Argent, Stephen P.; Blake, Alexander J.; Wilson, Claire; Champness, Neil R.","Hydrogen-bonding tectons for the construction of bimolecular framework materials","CrystEngComm","2008","10","12","1782","","10.1039/b811462e","","","0.71073","MoKα","","0.0891","0.0421","","","0.0823","0.0948","","","","","","0.866","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202394","11.9327","0.0012","13.0281","0.0013","15.8112","0.0015","85.17","0.002","74.302","0.002","65.333","0.002","2149.2","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H54 N6 O8 S2 -","- C43 H54 N6 O8 S2 -","- C86 H108 N12 O16 S4 -","2","1","","Hamblin, Jacqueline; Argent, Stephen P.; Blake, Alexander J.; Wilson, Claire; Champness, Neil R.","Hydrogen-bonding tectons for the construction of bimolecular framework materials","CrystEngComm","2008","10","12","1782","","10.1039/b811462e","","","0.71073","MoKα","","0.0633","0.0436","","","0.12","0.131","","","","","","1.07","","","","has coordinates,has disorder","180354","2020-10-21","18:00:00",""
"7202395","22.41","0.02","8.27","0.007","23.68","0.02","90","","110.17","0.02","90","","4119","6","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H40 N12 O12 S4 -","- C33 H40 N12 O12 S4 -","- C132 H160 N48 O48 S16 -","4","0.5","","Hamblin, Jacqueline; Argent, Stephen P.; Blake, Alexander J.; Wilson, Claire; Champness, Neil R.","Hydrogen-bonding tectons for the construction of bimolecular framework materials","CrystEngComm","2008","10","12","1782","","10.1039/b811462e","","","0.71073","MoKα","","0.0803","0.0606","","","0.152","0.164","","","","","","1.04","","","","has coordinates,has disorder","180354","2020-10-21","18:00:00",""
"7202396","7.578","0.001","10.715","0.0014","12.6216","0.0016","65.973","0.002","77.839","0.002","81.588","0.002","912.9","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H42 N16 O6 S2 -","- C28 H42 N16 O6 S2 -","- C28 H42 N16 O6 S2 -","1","0.5","","Hamblin, Jacqueline; Argent, Stephen P.; Blake, Alexander J.; Wilson, Claire; Champness, Neil R.","Hydrogen-bonding tectons for the construction of bimolecular framework materials","CrystEngComm","2008","10","12","1782","","10.1039/b811462e","","","0.71073","MoKα","","0.0601","0.0426","","","0.1138","0.1228","","","","","","0.983","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202397","28.635","0.003","11.1436","0.0012","17.0423","0.0018","90","","90","","90","","5438.1","1","296","2","296","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C28 H22.55 N4 O6.255 S Zn -","- C28 H22 N4 O6.255 S Zn -","- C224 H176 N32 O50.04 S8 Zn8 -","8","2","","Liu, Guang-Xiang; Zhu, Kun; Chen, Hong; Huang, Rong-Yi; Ren, Xiao-Ming","Two zinc(II) supramolecular isomers of square grid networks formed by two flexible ligands: syntheses, structures and nonlinear optical properties","CrystEngComm","2008","10","11","1527","","10.1039/b811498f","","","0.71073","MoKα","","0.0881","0.0504","","","0.0936","0.1044","","","","","","1.007","","","","has coordinates,has disorder","180354","2020-10-21","18:00:00",""
"7202398","8.7404","0.0008","11.3039","0.001","27.252","0.003","90","","90","","90","","2692.5","0.5","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H22 N4 O6 S Zn -","- C28 H22 N4 O6 S Zn -","- C112 H88 N16 O24 S4 Zn4 -","4","1","","Liu, Guang-Xiang; Zhu, Kun; Chen, Hong; Huang, Rong-Yi; Ren, Xiao-Ming","Two zinc(II) supramolecular isomers of square grid networks formed by two flexible ligands: syntheses, structures and nonlinear optical properties","CrystEngComm","2008","10","11","1527","","10.1039/b811498f","","","0.71073","MoKα","","0.0376","0.0306","","","0.0638","0.066","","","","","","1.007","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202400","16.67","0.003","9.467","0.002","10.305","0.002","90","","90","","90","","1626.3","0.6","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C14 H11 N2 Nd O8 -","- C14 H11 N2 Nd O8 -","- C56 H44 N8 Nd4 O32 -","4","0.5","","Liu, Cai-Ming; Zuo, Jing-Lin; Zhang, De-Qing; Zhu, Dao-Ben","Carboxylic acid-dependent assembly of neodymium‒organic frameworks with attractive topologies and second-order nonlinear optical and/or magnetic properties","CrystEngComm","2008","10","11","1674","","10.1039/b811524a","","","0.71073","MoKα","","0.0275","0.0256","","","0.0685","0.0707","","","","","","1.159","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202401","16.39","0.003","10.085","0.002","10.35","0.002","90","","90","","90","","1710.8","0.6","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C15 H13 N2 Nd O8 -","- C15 H13 N2 Nd O8 -","- C60 H52 N8 Nd4 O32 -","4","0.5","","Liu, Cai-Ming; Zuo, Jing-Lin; Zhang, De-Qing; Zhu, Dao-Ben","Carboxylic acid-dependent assembly of neodymium‒organic frameworks with attractive topologies and second-order nonlinear optical and/or magnetic properties","CrystEngComm","2008","10","11","1674","","10.1039/b811524a","","","0.71073","MoKα","","0.0307","0.0236","","","0.0552","0.0586","","","","","","1.064","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202402","9.18","0.002","10.517","0.002","13.026","0.003","66.45","0.03","85.96","0.03","78.7","0.03","1130.5","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 N3 Nd O13 -","- C18 H20 N3 Nd O13 -","- C36 H40 N6 Nd2 O26 -","2","1","","Liu, Cai-Ming; Zuo, Jing-Lin; Zhang, De-Qing; Zhu, Dao-Ben","Carboxylic acid-dependent assembly of neodymium‒organic frameworks with attractive topologies and second-order nonlinear optical and/or magnetic properties","CrystEngComm","2008","10","11","1674","","10.1039/b811524a","","","0.71073","MoKα","","0.0192","0.0185","","","0.0481","0.0486","","","","","","1.048","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202403","16.652","0.003","9.474","0.002","10.332","0.002","90","","90","","90","","1630","0.6","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C14 H11 N2 Nd O8 -","- C14 H11 N2 Nd O8 -","- C56 H44 N8 Nd4 O32 -","4","0.5","","Liu, Cai-Ming; Zuo, Jing-Lin; Zhang, De-Qing; Zhu, Dao-Ben","Carboxylic acid-dependent assembly of neodymium‒organic frameworks with attractive topologies and second-order nonlinear optical and/or magnetic properties","CrystEngComm","2008","10","11","1674","","10.1039/b811524a","","","0.71073","MoKα","","0.02","0.0185","","","0.0479","0.0487","","","","","","1.107","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202404","14.689","0.003","10.544","0.002","8.6613","0.0017","90","","91.03","0.03","90","","1341.3","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(benzylammonium)(m-iodobenzoate)","(benzylammonium)(m-iodobenzoate)","","- C14 H14 I N O2 -","- C14 H14 I N O2 -","- C56 H56 I4 N4 O8 -","4","1","","Lemmerer, Andreas; Bourne, Susan A.; Fernandes, Manuel A.","Disruption of a robust supramolecular heterosynthon in achiral benzylammonium and (pyridylmethyl)ammonium m-iodobenzoate salts","CrystEngComm","2008","10","12","1750","","10.1039/b811789f","","","0.71073","MoKα","","0.0448","0.0354","","","0.0879","0.0948","","","","","","1.087","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202405","16.4778","0.0007","6.0706","0.0002","14.3327","0.0005","90","","108.452","0.002","90","","1359.99","0.09","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","((2-pyridylmethyl)ammonium) (m-iodobenzoate)","((2-pyridylmethyl)ammonium) (m-iodobenzoate)","","- C13 H13 I N2 O2 -","- C13 H13 I N2 O2 -","- C52 H52 I4 N8 O8 -","4","1","","Lemmerer, Andreas; Bourne, Susan A.; Fernandes, Manuel A.","Disruption of a robust supramolecular heterosynthon in achiral benzylammonium and (pyridylmethyl)ammonium m-iodobenzoate salts","CrystEngComm","2008","10","12","1750","","10.1039/b811789f","","","0.71073","MoKα","","0.0253","0.0207","","","0.0465","0.0489","","","","","","1.056","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202406","12.451","0.003","6.1494","0.0012","17.582","0.004","90","","96.47","0.03","90","","1337.6","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","((3-pyridylmethyl)ammonium)(m-iodobenzoate)","((3-pyridylmethyl)ammonium)(m-iodobenzoate)","","- C13 H13 I N2 O2 -","- C13 H13 I N2 O2 -","- C52 H52 I4 N8 O8 -","4","1","","Lemmerer, Andreas; Bourne, Susan A.; Fernandes, Manuel A.","Disruption of a robust supramolecular heterosynthon in achiral benzylammonium and (pyridylmethyl)ammonium m-iodobenzoate salts","CrystEngComm","2008","10","12","1750","","10.1039/b811789f","","","0.71073","MoKα","","0.0201","0.0176","","","0.0437","0.0453","","","","","","1.093","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202407","6.5652","0.0001","17.7228","0.0004","11.8193","0.0002","90","","91.01","0.001","90","","1375.01","0.04","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","((4-pyridylamethyl)ammonium)(m-iodobenzoate)","((4-pyridylamethyl)ammonium)(m-iodobenzoate)","","- C13 H13 I N2 O2 -","- C13 H13 I N2 O2 -","- C52 H52 I4 N8 O8 -","4","2","","Lemmerer, Andreas; Bourne, Susan A.; Fernandes, Manuel A.","Disruption of a robust supramolecular heterosynthon in achiral benzylammonium and (pyridylmethyl)ammonium m-iodobenzoate salts","CrystEngComm","2008","10","12","1750","","10.1039/b811789f","","","0.71073","MoKα","","0.0228","0.0219","","","0.0519","0.0523","","","","","","1.015","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202408","34.329","0.007","6.2971","0.0013","21.548","0.004","90","","114.77","0.03","90","","4229.5","1.8","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(m-iodobenzoic)(((4-pyridylamethl)ammonium)(m-iodobenzoate)","(m-iodobenzoic)(((4-pyridylamethl)ammonium)(m-iodobenzoate)","","- C20 H18 I2 N2 O4 -","- C20 H18 I2 N2 O4 -","- C160 H144 I16 N16 O32 -","8","1","","Lemmerer, Andreas; Bourne, Susan A.; Fernandes, Manuel A.","Disruption of a robust supramolecular heterosynthon in achiral benzylammonium and (pyridylmethyl)ammonium m-iodobenzoate salts","CrystEngComm","2008","10","12","1750","","10.1039/b811789f","","","0.71073","MoKα","","0.0371","0.0285","","","0.0673","0.0717","","","","","","1.038","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202409","4.2616","0.0009","29.232","0.006","17.734","0.004","90","","90.86","0.004","90","","2209","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis[N-(3-pyridyl)acetamide], 1,4-diiodotetrafluorobenzene","","- C20 H16 F4 I2 N4 O2 -","- C20 H16 F4 I2 N4 O2 -","- C80 H64 F16 I8 N16 O8 -","4","1","","Aakeröy, Christer B.; Desper, John; Fasulo, Meg; Hussain, Izhar; Levin, Brock; Schultheiss, Nate","Ten years of co-crystal synthesis; the good, the bad, and the ugly","CrystEngComm","2008","10","12","1816","","10.1039/b811809d","","","0.71073","MoKα","","0.0651","0.0578","","","0.1255","0.1303","","","","","","1.15","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202410","4.845","0.002","9.716","0.004","13.075","0.006","104.096","0.006","98.36","0.006","91.246","0.006","589.6","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","bis{N-[(3-pyridyl)methyl]acetamide}, 1,4-diiodotetrafluorobenzene","","- C22 H20 F4 I2 N4 O2 -","- C22 H20 F4 I2 N4 O2 -","- C22 H20 F4 I2 N4 O2 -","1","0.5","","Aakeröy, Christer B.; Desper, John; Fasulo, Meg; Hussain, Izhar; Levin, Brock; Schultheiss, Nate","Ten years of co-crystal synthesis; the good, the bad, and the ugly","CrystEngComm","2008","10","12","1816","","10.1039/b811809d","","","0.71073","MoKα","","0.0649","0.0535","","","0.1245","0.1301","","","","","","1.111","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202411","7.1917","0.0005","24.644","0.002","8.7269","0.0007","90","","100.535","0.005","90","","1520.6","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(pyrazol-3-yl)pyridine, 1,4-diiodotetrafluorobenzene","","- C14 H7 F4 I2 N3 -","- C14 H7 F4 I2 N3 -","- C56 H28 F16 I8 N12 -","4","1","","Aakeröy, Christer B.; Desper, John; Fasulo, Meg; Hussain, Izhar; Levin, Brock; Schultheiss, Nate","Ten years of co-crystal synthesis; the good, the bad, and the ugly","CrystEngComm","2008","10","12","1816","","10.1039/b811809d","","","0.71073","MoKα","","0.0623","0.0558","","","0.1353","0.1415","","","","","","1.07","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202412","9.0808","0.0007","16.3144","0.0012","13.6934","0.0009","90","","91.057","0.004","90","","2028.3","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-(4-pyridyl)benzimidazole, 1,4-diiodotetrafluorobenzene, methanol","","- C19 H13 F4 I2 N3 O -","- C19 H13 F4 I2 N3 O -","- C76 H52 F16 I8 N12 O4 -","4","1","","Aakeröy, Christer B.; Desper, John; Fasulo, Meg; Hussain, Izhar; Levin, Brock; Schultheiss, Nate","Ten years of co-crystal synthesis; the good, the bad, and the ugly","CrystEngComm","2008","10","12","1816","","10.1039/b811809d","","","0.71073","MoKα","","0.0671","0.0423","","","0.1091","0.129","","","","","","1.037","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202413","7.6881","0.0004","14.8996","0.0008","15.3296","0.0008","72.16","0.001","88.364","0.001","88.508","0.001","1670.61","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","[(5-OMe-3-pyridyl)(3-pyridyl)ethyne]4, [1,4-I2-F4-benzene]4","","- C70 H40 F12 I6 N8 O4 -","- C70 H40 F12 I6 N8 O4 -","- C70 H40 F12 I6 N8 O4 -","1","0.5","","Aakeröy, Christer B.; Desper, John; Fasulo, Meg; Hussain, Izhar; Levin, Brock; Schultheiss, Nate","Ten years of co-crystal synthesis; the good, the bad, and the ugly","CrystEngComm","2008","10","12","1816","","10.1039/b811809d","","","0.71073","MoKα","","0.0373","0.0315","","","0.0733","0.0763","","","","","","1.006","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202414","7.2012","0.0007","17.6878","0.0015","17.7138","0.0016","89.927","0.004","82.869","0.007","88.275","0.006","2237.8","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","(5-methoxy-3,3'-bipyridyl)2, (1,4-diiodotetrafluorobenzene)3","","- C40 H20 F12 I6 N4 O2 -","- C40 H20 F12 I6 N4 O2 -","- C80 H40 F24 I12 N8 O4 -","2","1","","Aakeröy, Christer B.; Desper, John; Fasulo, Meg; Hussain, Izhar; Levin, Brock; Schultheiss, Nate","Ten years of co-crystal synthesis; the good, the bad, and the ugly","CrystEngComm","2008","10","12","1816","","10.1039/b811809d","","","0.71073","MoKα","","0.1346","0.065","","","0.1588","0.1989","","","","","","1.008","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202415","30.345","0.002","4.1878","0.0003","16.6946","0.0012","90","","90","","90","","2121.5","0.3","173","2","173","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","(pyridine-3,5-COOH) (2-AcNH-pyr)2, (1,4-I2-F4-benzene)2","","- C33 H21 F8 I4 N5 O6 -","- C33 H21 F8 I4 N5 O6 -","- C66 H42 F16 I8 N10 O12 -","2","0.5","","Aakeröy, Christer B.; Desper, John; Fasulo, Meg; Hussain, Izhar; Levin, Brock; Schultheiss, Nate","Ten years of co-crystal synthesis; the good, the bad, and the ugly","CrystEngComm","2008","10","12","1816","","10.1039/b811809d","","","0.71073","MoKα","","0.0845","0.0427","","","0.1067","0.1235","","","","","","1.013","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202416","6.7735","0.0005","9.3861","0.0007","16.9365","0.0013","90","","92.569","0.001","90","","1075.69","0.14","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C16 H16 N2 Nd2 O18 -","- C16 H16 N2 Nd2 O18 -","- C32 H32 N4 Nd4 O36 -","2","1","","Li, Cui-Jin; Peng, Meng-Xia; Leng, Ji-Dong; Yang, Ming-Mei; Lin, Zhuojia; Tong, Ming-Liang","Synthesis, structure, photoluminescence and magnetic properties of new 3-D lanthanide-pyridine-2,4,6-tricarboxylate frameworks","CrystEngComm","2008","10","11","1645","","10.1039/b811883n","","","0.71073","MoKα","","0.0273","0.0262","","","0.0555","0.0564","","","","","","1.025","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202417","22.3162","0.0011","9.3759","0.0005","22.4546","0.0012","90","","103.061","0.001","90","","4576.7","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H15 N2 O17.5 Sm2 -","- C16 H10 N2 O17.5 Sm2 -","- C128 H80 N16 O140 Sm16 -","8","1","","Li, Cui-Jin; Peng, Meng-Xia; Leng, Ji-Dong; Yang, Ming-Mei; Lin, Zhuojia; Tong, Ming-Liang","Synthesis, structure, photoluminescence and magnetic properties of new 3-D lanthanide-pyridine-2,4,6-tricarboxylate frameworks","CrystEngComm","2008","10","11","1645","","10.1039/b811883n","","","0.71073","MoKα","","0.0288","0.0269","","","0.0609","0.0618","","","","","","1.108","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202418","22.2466","0.0018","9.3529","0.0007","22.4043","0.0018","90","","103.067","0.001","90","","4541","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H15 Eu2 N2 O17.5 -","- C16 H10 Eu2 N2 O17.5 -","- C128 H80 Eu16 N16 O140 -","8","1","","Li, Cui-Jin; Peng, Meng-Xia; Leng, Ji-Dong; Yang, Ming-Mei; Lin, Zhuojia; Tong, Ming-Liang","Synthesis, structure, photoluminescence and magnetic properties of new 3-D lanthanide-pyridine-2,4,6-tricarboxylate frameworks","CrystEngComm","2008","10","11","1645","","10.1039/b811883n","","","0.71073","MoKα","","0.0467","0.0379","","","0.0814","0.0845","","","","","","1.069","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202419","22.2267","0.0016","9.3424","0.0007","22.3427","0.0016","90","","103.138","0.001","90","","4518","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H15 Gd2 N2 O17.5 -","- C16 H10 Gd2 N2 O17.5 -","- C128 H80 Gd16 N16 O140 -","8","1","","Li, Cui-Jin; Peng, Meng-Xia; Leng, Ji-Dong; Yang, Ming-Mei; Lin, Zhuojia; Tong, Ming-Liang","Synthesis, structure, photoluminescence and magnetic properties of new 3-D lanthanide-pyridine-2,4,6-tricarboxylate frameworks","CrystEngComm","2008","10","11","1645","","10.1039/b811883n","","","0.71073","MoKα","","0.0518","0.042","","","0.0825","0.0857","","","","","","1.112","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202420","21.757","0.003","9.1657","0.0013","22.457","0.003","90","","100.886","0.003","90","","4397.7","1.1","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H13 N2 O16.5 Tb2 -","- C16 H8 N2 O16.5 Tb2 -","- C128 H64 N16 O132 Tb16 -","8","1","","Li, Cui-Jin; Peng, Meng-Xia; Leng, Ji-Dong; Yang, Ming-Mei; Lin, Zhuojia; Tong, Ming-Liang","Synthesis, structure, photoluminescence and magnetic properties of new 3-D lanthanide-pyridine-2,4,6-tricarboxylate frameworks","CrystEngComm","2008","10","11","1645","","10.1039/b811883n","","","0.71073","MoKα","","0.0416","0.0365","","","0.0819","0.0846","","","","","","1.051","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202421","21.7769","0.0015","9.2174","0.0006","22.3883","0.0015","90","","101.353","0.002","90","","4406","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 Dy2 N2 O16 -","- C16 H8 Dy2 N2 O16 -","- C128 H64 Dy16 N16 O128 -","8","1","","Li, Cui-Jin; Peng, Meng-Xia; Leng, Ji-Dong; Yang, Ming-Mei; Lin, Zhuojia; Tong, Ming-Liang","Synthesis, structure, photoluminescence and magnetic properties of new 3-D lanthanide-pyridine-2,4,6-tricarboxylate frameworks","CrystEngComm","2008","10","11","1645","","10.1039/b811883n","","","0.71073","MoKα","","0.0321","0.028","","","0.065","0.0672","","","","","","1.053","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202422","21.721","0.008","9.202","0.004","22.347","0.009","90","","101.243","0.006","90","","4381","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 Ho2 N2 O16 -","- C16 H8 Ho2 N2 O16 -","- C128 H64 Ho16 N16 O128 -","8","1","","Li, Cui-Jin; Peng, Meng-Xia; Leng, Ji-Dong; Yang, Ming-Mei; Lin, Zhuojia; Tong, Ming-Liang","Synthesis, structure, photoluminescence and magnetic properties of new 3-D lanthanide-pyridine-2,4,6-tricarboxylate frameworks","CrystEngComm","2008","10","11","1645","","10.1039/b811883n","","","0.71073","MoKα","","0.0282","0.0247","","","0.0549","0.0564","","","","","","1.058","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202423","10.265","0.001","18.651","0.001","18.217","0.001","78.708","0.005","81.334","0.005","75.924","0.005","3298","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","Bis((N,N-dimethylbenzylamine-kappaN,kappaC)palladium(ii))(mu- acetato-kappaO:kappaO') (mu-benzophenone iminato-kappaN:kappaN) . !0.25toluene","Bis{(N,N-dimethylbenzylamine-κN,κC)palladium(II)}(μ-acetato-κO:κO') (μ-benzophenone iminato-κN:κN) . ~0.25toluene","","- C69.5 H74 N6 O4 Pd4 -","- C69.5 H74 N6 O4 Pd4 -","- C139 H148 N12 O8 Pd8 -","2","1","","Ruiz, José; Rodríguez, Venancio; Cutillas, Natalia; Hoffmann, Anke; Chamayou, Anne-Christine; Kazmierczak, Karolina; Janiak, Christoph","Structure‒solid-state CPMAS 13C NMR correlation in palladacycle solvates (pseudo-polymorphs) with a transformation from Z′ = 1 to Z′ = 2","CrystEngComm","2008","10","12","1928","","10.1039/b812012a","","","0.71073","MoKα","","0.0388","0.0272","","","0.0599","0.0619","","","","","","1.009","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7202424","9.3712","0.0005","11.2535","0.0007","18.6983","0.0011","83.304","0.003","84.253","0.003","78.682","0.003","1914.31","0.19","203","2","203","2","","","","","","","","5","P -1","-P 1","2","Bis((N,N-dimethylbenzylamine-kappaN,kappaC)palladium(ii))(mu- acetato-kappaO:kappaO') (mu-benzophenone iminato-kappaN:kappaN) . 1.5benzene","Bis{(N,N-dimethylbenzylamine-κN,κC)palladium(II)}(μ-acetato-κO:κO') (μ-benzophenone iminato-κN:κN) . 1.5benzene","","- C42 H46 N3 O2 Pd2 -","- C42 H46 N3 O2 Pd2 -","- C84 H92 N6 O4 Pd4 -","2","1","","Ruiz, José; Rodríguez, Venancio; Cutillas, Natalia; Hoffmann, Anke; Chamayou, Anne-Christine; Kazmierczak, Karolina; Janiak, Christoph","Structure‒solid-state CPMAS 13C NMR correlation in palladacycle solvates (pseudo-polymorphs) with a transformation from Z′ = 1 to Z′ = 2","CrystEngComm","2008","10","12","1928","","10.1039/b812012a","","","0.71073","MoKα","","0.0309","0.0231","","","0.0519","0.0548","","","","","","1.034","","","","has coordinates,has disorder","180355","2020-10-21","18:00:00",""
"7202425","9.5075","0.0005","11.3472","0.0006","18.5747","0.001","82.742","0.001","83.107","0.001","75.987","0.001","1920.35","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Bis((N,N-dimethylbenzylamine-kappaN,kappaC)palladium(ii))(mu- acetato-kappaO:kappaO') (mu-benzophenone iminato-kappaN:kappaN) . 1.5toluene","Bis{(N,N-dimethylbenzylamine-κN,κC)palladium(II)}(μ-acetato-κO:κO') (μ-benzophenone iminato-κN:κN) . 1.5toluene","","- C43.5 H49 N3 O2 Pd2 -","- C43.5 H49 N3 O2 Pd2 -","- C87 H98 N6 O4 Pd4 -","2","1","","Ruiz, José; Rodríguez, Venancio; Cutillas, Natalia; Hoffmann, Anke; Chamayou, Anne-Christine; Kazmierczak, Karolina; Janiak, Christoph","Structure‒solid-state CPMAS 13C NMR correlation in palladacycle solvates (pseudo-polymorphs) with a transformation from Z′ = 1 to Z′ = 2","CrystEngComm","2008","10","12","1928","","10.1039/b812012a","","","0.71073","MoKα","","0.0365","0.0324","","","0.0746","0.0766","","","","","","1.086","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7202426","14.2859","0.0006","28.3485","0.0012","9.2862","0.0004","90","","103.894","0.001","90","","3650.7","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[{(dmba)Pd}2(m-OAc)(m-N=CPh2)].1(n-hexane)","[μ-Acetato-μ-benzophenone iminato- bis{N,N-dimethylbenzylamine-κN,κC-palladium(II)}] 1(n-hexane)","","- C39 H51 N3 O2 Pd2 -","- C39 H51 N3 O2 Pd2 -","- C156 H204 N12 O8 Pd8 -","4","1","","Ruiz, José; Rodríguez, Venancio; Cutillas, Natalia; Hoffmann, Anke; Chamayou, Anne-Christine; Kazmierczak, Karolina; Janiak, Christoph","Structure‒solid-state CPMAS 13C NMR correlation in palladacycle solvates (pseudo-polymorphs) with a transformation from Z′ = 1 to Z′ = 2","CrystEngComm","2008","10","12","1928","","10.1039/b812012a","","","0.71073","MoKα","","0.0312","0.0296","","","0.0717","0.0725","","","","","","1.135","","","","has coordinates,has disorder","180355","2020-10-21","18:00:00",""
"7202427","14.612","0.006","9.577","0.0016","4.5572","0.0007","90","","90","","90","","637.7","0.3","110","","110","","","","","","","","","5","P 21 21 2","P 2 2ab","18","mBrMePU","1-(m-bromophenyl)-3-(m-tolyl) urea","","- C28 H23 Br2 N4 O2 -","- C28 H23 Br2 N4 O2 -","- C28 H23 Br2 N4 O2 -","1","0.25","","Capacci-Daniel, Christina; Dehghan, Shoaleh; Wurster, Victoria M.; Basile, Joseph A.; Hiremath, Rupa; Sarjeant, Amy A.; Swift, Jennifer A.","Halogen/methyl exchange in a series of isostructural 1,3-bis(m-dihalophenyl)ureas","CrystEngComm","2008","10","12","1875","","10.1039/b812138a","","x-ray","0.71073","MoKα","","0.06","0.0543","","","0.121","0.1228","","","","","","1.22","","","","has coordinates,has disorder","180355","2020-10-21","18:00:00",""
"7202428","9.546","0.0011","14.7549","0.0015","4.5585","0.0007","90","","90","","90","","642.07","0.14","110","","110","","","","","","","","","5","P 21 21 2","P 2 2ab","18","mBrPU","1,3-bis(m-bromophenyl) urea","","- C13 H10 Br2 N2 O -","- C13 H10 Br2 N2 O -","- C26 H20 Br4 N4 O2 -","2","0.5","","Capacci-Daniel, Christina; Dehghan, Shoaleh; Wurster, Victoria M.; Basile, Joseph A.; Hiremath, Rupa; Sarjeant, Amy A.; Swift, Jennifer A.","Halogen/methyl exchange in a series of isostructural 1,3-bis(m-dihalophenyl)ureas","CrystEngComm","2008","10","12","1875","","10.1039/b812138a","","x-ray","0.71073","MoKα","","0.038","0.0362","","","0.0676","0.0686","","","","","","1.041","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202429","9.5777","0.0005","14.3646","0.0007","4.5596","0.0002","90","","90","","90","","627.31","0.05","110","","110","","","","","","","","","5","P 21 21 2","P 2 2ab","18","1-(m-chlorophenyl)-3-(m-tolyl) urea","1-(m-chlorophenyl)-3-(m-tolyl) urea","","- C14 H13 Cl N2 O -","- C14 H13 Cl N2 O -","- C28 H26 Cl2 N4 O2 -","2","0.5","","Capacci-Daniel, Christina; Dehghan, Shoaleh; Wurster, Victoria M.; Basile, Joseph A.; Hiremath, Rupa; Sarjeant, Amy A.; Swift, Jennifer A.","Halogen/methyl exchange in a series of isostructural 1,3-bis(m-dihalophenyl)ureas","CrystEngComm","2008","10","12","1875","","10.1039/b812138a","","x-ray","0.71073","MoKα","","0.0492","0.041","","","0.0983","0.1026","","","","","","1.118","","","","has coordinates,has disorder","180355","2020-10-21","18:00:00",""
"7202430","9.588","0.0008","14.3214","0.0011","4.5653","0.0004","90","","90","","90","","626.88","0.09","173","2","173","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","mClPU","1,3-bis(m-chlorophenyl)urea","","- C13 H10 Cl2 N2 O -","- C13 H10 Cl2 N2 O -","- C26 H20 Cl4 N4 O2 -","2","0.5","","Capacci-Daniel, Christina; Dehghan, Shoaleh; Wurster, Victoria M.; Basile, Joseph A.; Hiremath, Rupa; Sarjeant, Amy A.; Swift, Jennifer A.","Halogen/methyl exchange in a series of isostructural 1,3-bis(m-dihalophenyl)ureas","CrystEngComm","2008","10","12","1875","","10.1039/b812138a","","","0.71073","MoKα","","0.0277","0.0263","","","0.0707","0.0715","","","","","","1.05","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202431","9.6345","0.0011","15.3998","0.0014","4.5673","0.0008","90","","90","","90","","677.65","0.15","110","","110","","","","","","","","","5","P 21 21 2","P 2 2ab","18","mIPU","1,3-bis(m-iodophenyl) urea","","- C13 H10 I2 N2 O -","- C13 H10 I2 N2 O -","- C26 H20 I4 N4 O2 -","2","0.5","","Capacci-Daniel, Christina; Dehghan, Shoaleh; Wurster, Victoria M.; Basile, Joseph A.; Hiremath, Rupa; Sarjeant, Amy A.; Swift, Jennifer A.","Halogen/methyl exchange in a series of isostructural 1,3-bis(m-dihalophenyl)ureas","CrystEngComm","2008","10","12","1875","","10.1039/b812138a","","x-ray","0.71073","MoKα","","0.021","0.0201","","","0.0413","0.0417","","","","","","1.073","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202432","9.595","0.0016","14.521","0.002","4.5902","0.001","90","","90","","90","","639.5","0.2","110","","110","","","","","","","","","4","P 21 21 2","P 2 2ab","18","mMePU","1,3-bis(tolyl) urea","","- C15 H16 N2 O -","- C15 H16 N2 O -","- C30 H32 N4 O2 -","2","0.5","","Capacci-Daniel, Christina; Dehghan, Shoaleh; Wurster, Victoria M.; Basile, Joseph A.; Hiremath, Rupa; Sarjeant, Amy A.; Swift, Jennifer A.","Halogen/methyl exchange in a series of isostructural 1,3-bis(m-dihalophenyl)ureas","CrystEngComm","2008","10","12","1875","","10.1039/b812138a","","x-ray","0.71073","MoKα","","0.0596","0.058","","","0.1132","0.114","","","","","","1.213","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202433","9.577","0.0016","14.612","0.006","4.5572","0.0007","90","","90","","90","","637.7","0.3","110","","110","","","","","","","","","5","P 21 21 2","P 2 2ab","18","mBrMePU","1-(m-bromophenyl)-3-(m-tolyl) urea","","- C14 H13 Br N2 O -","- C14 H13 Br N2 O -","- C28 H26 Br2 N4 O2 -","2","0.5","","Capacci-Daniel, Christina; Dehghan, Shoaleh; Wurster, Victoria M.; Basile, Joseph A.; Hiremath, Rupa; Sarjeant, Amy A.; Swift, Jennifer A.","Halogen/methyl exchange in a series of isostructural 1,3-bis(m-dihalophenyl)ureas","CrystEngComm","2008","10","12","1875","","10.1039/b812138a","","x-ray","0.71073","MoKα","","0.0599","0.0543","","","0.1205","0.1222","","","","","","1.217","","","","has coordinates,has disorder","180355","2020-10-21","18:00:00",""
"7202434","7.346","0.005","29.04","0.02","7.46","0.006","90","","90","","90","","1591","2","299","2","299","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C13 H14 Cd Cl4 N2 -","- C13 H14 Cd Cl4 N2 -","- C52 H56 Cd4 Cl16 N8 -","4","0.5","","Costin-Hogan, Christina E.; Chen, Chun-Long; Hughes, Emma; Pickett, Austin; Valencia, Richard; Rath, Nigam P.; Beatty, Alicia M.","“Reverse” engineering: Toward 0-D cadmium halide clusters","CrystEngComm","2008","10","12","1910","","10.1039/b812504j","","","0.71073","MoKα","","0.0531","0.0415","","","0.1057","0.1137","","","","","","1.117","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202435","19.275","0.003","7.3987","0.0011","24.409","0.004","90","","90","","90","","3481","0.9","297","2","297","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H16 Cd1.5 Cl5 N2 -","- C12 H16 Cd1.5 Cl5 N2 -","- C96 H128 Cd12 Cl40 N16 -","8","1","","Costin-Hogan, Christina E.; Chen, Chun-Long; Hughes, Emma; Pickett, Austin; Valencia, Richard; Rath, Nigam P.; Beatty, Alicia M.","“Reverse” engineering: Toward 0-D cadmium halide clusters","CrystEngComm","2008","10","12","1910","","10.1039/b812504j","","","0.71073","MoKα","","0.0317","0.0217","","","0.0493","0.0547","","","","","","1.102","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202436","14.4881","0.0018","4.3172","0.0005","14.5404","0.0017","90","","110.928","0.006","90","","849.48","0.18","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C16 H22 Br2 Cd N2 -","- C16 H22 Br2 Cd N2 -","- C32 H44 Br4 Cd2 N4 -","2","0.5","","Costin-Hogan, Christina E.; Chen, Chun-Long; Hughes, Emma; Pickett, Austin; Valencia, Richard; Rath, Nigam P.; Beatty, Alicia M.","“Reverse” engineering: Toward 0-D cadmium halide clusters","CrystEngComm","2008","10","12","1910","","10.1039/b812504j","","","0.71073","MoKα","","0.0328","0.0225","","","0.0399","0.042","","","","","","1.029","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202437","25.107","0.003","5.0103","0.0004","13.4757","0.0013","90","","115.739","0.004","90","","1527","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H14 Cd I2 N2 -","- C12 H14 Cd I2 N2 -","- C48 H56 Cd4 I8 N8 -","4","0.5","","Costin-Hogan, Christina E.; Chen, Chun-Long; Hughes, Emma; Pickett, Austin; Valencia, Richard; Rath, Nigam P.; Beatty, Alicia M.","“Reverse” engineering: Toward 0-D cadmium halide clusters","CrystEngComm","2008","10","12","1910","","10.1039/b812504j","","","0.71073","MoKα","","0.0193","0.0155","","","0.0286","0.0294","","","","","","1.086","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202438","26.262","0.003","4.8965","0.0005","14.2847","0.0014","90","","115.52","0.005","90","","1657.7","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 Cd I2 N2 -","- C14 H18 Cd I2 N2 -","- C56 H72 Cd4 I8 N8 -","4","0.5","","Costin-Hogan, Christina E.; Chen, Chun-Long; Hughes, Emma; Pickett, Austin; Valencia, Richard; Rath, Nigam P.; Beatty, Alicia M.","“Reverse” engineering: Toward 0-D cadmium halide clusters","CrystEngComm","2008","10","12","1910","","10.1039/b812504j","","","0.71073","MoKα","","0.0579","0.0468","","","0.1082","0.1135","","","","","","1.006","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202439","17.105","0.002","4.4783","0.0006","19.149","0.003","90","","99.488","0.007","90","","1446.8","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 Cd I2 N2 -","- C12 H12 Cd I2 N2 -","- C48 H48 Cd4 I8 N8 -","4","0.5","","Costin-Hogan, Christina E.; Chen, Chun-Long; Hughes, Emma; Pickett, Austin; Valencia, Richard; Rath, Nigam P.; Beatty, Alicia M.","“Reverse” engineering: Toward 0-D cadmium halide clusters","CrystEngComm","2008","10","12","1910","","10.1039/b812504j","","","0.71073","MoKα","","0.0217","0.0172","","","0.0302","0.031","","","","","","1.087","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202440","7.589","0.002","23.193","0.007","14.019","0.004","90","","97.04","0.007","90","","2448.9","1.2","299","2","299","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H44 Cd3 Cl12 N6 O2 -","- C40 H44 Cd3 Cl12 N6 O2 -","- C80 H88 Cd6 Cl24 N12 O4 -","2","0.5","","Costin-Hogan, Christina E.; Chen, Chun-Long; Hughes, Emma; Pickett, Austin; Valencia, Richard; Rath, Nigam P.; Beatty, Alicia M.","“Reverse” engineering: Toward 0-D cadmium halide clusters","CrystEngComm","2008","10","12","1910","","10.1039/b812504j","","","0.71073","MoKα","","0.1264","0.0448","","","0.0829","0.1118","","","","","","0.969","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202441","7.2994","0.0015","7.4104","0.0015","30.527","0.006","90","","90","","90","","1651.3","0.6","299","2","299","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C12 H14 Cd Cl4 N2 O -","- C12 H14 Cd Cl4 N2 O -","- C48 H56 Cd4 Cl16 N8 O4 -","4","0.5","","Costin-Hogan, Christina E.; Chen, Chun-Long; Hughes, Emma; Pickett, Austin; Valencia, Richard; Rath, Nigam P.; Beatty, Alicia M.","“Reverse” engineering: Toward 0-D cadmium halide clusters","CrystEngComm","2008","10","12","1910","","10.1039/b812504j","","","0.71073","MoKα","","0.0321","0.0283","","","0.0744","0.0773","","","","","","1.069","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202442","12.375","0.003","23.376","0.005","8.5893","0.0017","90","","104.46","0.03","90","","2406","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H27 Cd N5 O10 -","- C14 H18 Cd N4 O9 -","- C56 H72 Cd4 N16 O36 -","4","1","","Ghosh, Sujit K.; Kitagawa, Susumu","Solvent as structure directing agent for the synthesis of novel coordination frameworks using a tripodal flexible ligand","CrystEngComm","2008","10","12","1739","","10.1039/b812645c","","","0.71069","MoKα","","0.1144","0.0999","","","0.2861","0.3084","","","","","","1.077","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202443","17.64","0.002","13.38","0.003","21.46","0.004","90","","90","","90","","5065.1","1.6","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C39 H57 Cd3 N9 O21 -","- C34 H44 Cd3 N8 O20 -","- C136 H176 Cd12 N32 O80 -","4","1","","Ghosh, Sujit K.; Kitagawa, Susumu","Solvent as structure directing agent for the synthesis of novel coordination frameworks using a tripodal flexible ligand","CrystEngComm","2008","10","12","1739","","10.1039/b812645c","","","0.71073","MoKα","","0.0666","0.0606","","","0.1703","0.1758","","","","","","1.062","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202444","9.55","0.002","13.3","0.005","13.377","0.004","61.82","0.005","69.88","0.007","76.1","0.005","1400.1","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H36 Cd1.5 N3 O12 -","- C15 H19 Cd1.5 N3 O10 -","- C30 H38 Cd3 N6 O20 -","2","1","","Ghosh, Sujit K.; Kitagawa, Susumu","Solvent as structure directing agent for the synthesis of novel coordination frameworks using a tripodal flexible ligand","CrystEngComm","2008","10","12","1739","","10.1039/b812645c","","","0.71069","MoKα","","0.0866","0.0814","","","0.2548","0.2588","","","","","","1.163","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202445","14.3","0.003","13.041","0.003","18.23","0.004","90","","90","","90","","3399.6","1.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H8 Cd3 N4 O11 -","- C10 H8 Cd3 N4 O11 -","- C80 H64 Cd24 N32 O88 -","8","1","","Wang, Shuang; Zhang, Lirong; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Assembly of two 3-D metal‒organic frameworks from Cd(II) and 4,5-imidazoledicarboxylic acid or 2-ethyl-4,5-imidazoledicarboxylic acid","CrystEngComm","2008","10","11","1662","","10.1039/b812782b","","","0.71073","MoKα","","0.0471","0.0382","","","0.0776","0.0806","","","","","","1.094","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202446","16.0901","0.0015","16.0901","0.0015","6.7807","0.0009","90","","90","","90","","1755.5","0.3","293","2","293","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C7 H5 Cd K N2 O4 -","- C7 H5 Cd K N2 O4 -","- C56 H40 Cd8 K8 N16 O32 -","8","1","","Wang, Shuang; Zhang, Lirong; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Assembly of two 3-D metal‒organic frameworks from Cd(II) and 4,5-imidazoledicarboxylic acid or 2-ethyl-4,5-imidazoledicarboxylic acid","CrystEngComm","2008","10","11","1662","","10.1039/b812782b","","","0.71073","MoKα","","0.0453","0.0351","","","0.0647","0.0683","","","","","","0.977","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202447","11.6011","0.0011","9.653","0.0008","13.9669","0.0012","90","","90","","90","","1564.1","0.2","200","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","dipiperazinium tetrachloride monohydrate","dipiperazinium tetrachloride monohydrate","","- C4 H13 Cl2 N2 O0.5 -","- C4 H13 Cl2 N2 O0.5 -","- C32 H104 Cl16 N16 O4 -","8","1","","Baisch, Ulrich; Rubini, Katia; Braga, Dario","Remarkable structural similarities between organic co-crystals and a metal‒organic coordination network—insights into hydrogen bonded aliphatic ammonium chlorides","CrystEngComm","2008","10","12","1939","","10.1039/b812892h","","","0.7107","MoKα","","0.0859","0.0449","","","0.0844","0.092","","","","","","0.888","","","","has coordinates","212870","2020-10-21","18:00:00",""
"7202448","10.1916","0.0003","6.3108","0.0002","13.4929","0.0004","90","","107.553","0.003","90","","827.42","0.05","296","2","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","piperazinium dichloride monohydrate","piperazinium dichloride monohydrate","","- C4 H14 Cl2 N2 O -","- C4 H14 Cl2 N2 O -","- C16 H56 Cl8 N8 O4 -","4","0.5","","Baisch, Ulrich; Rubini, Katia; Braga, Dario","Remarkable structural similarities between organic co-crystals and a metal‒organic coordination network—insights into hydrogen bonded aliphatic ammonium chlorides","CrystEngComm","2008","10","12","1939","","10.1039/b812892h","","","0.7107","MoKα","","0.0498","0.0296","","","0.0815","0.086","","","","","","1.085","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202449","5.2576","0.0001","14.8849","0.0003","6.3547","0.0001","90","","99.85","0.002","90","","489.981","0.016","296","2","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1,4-diammonio-cyclohexane dichloride","1,4-diammonio-cyclohexane dichloride","","- C6 H16 Cl2 N2 -","- C6 H16 Cl2 N2 -","- C12 H32 Cl4 N4 -","2","0.5","","Baisch, Ulrich; Rubini, Katia; Braga, Dario","Remarkable structural similarities between organic co-crystals and a metal‒organic coordination network—insights into hydrogen bonded aliphatic ammonium chlorides","CrystEngComm","2008","10","12","1939","","10.1039/b812892h","","","0.7107","MoKα","","0.0373","0.0263","","","0.0723","0.0748","","","","","","1.1","","","","has coordinates","256201","2020-10-21","18:00:00",""
"7202450","5.863","0.0006","8.2478","0.0009","9.5959","0.0009","89.659","0.008","76.931","0.008","75.82","0.009","437.64","0.08","296","2","","","","","","","","","","6","P -1","-P 1","2","1,2-diammonio-cyclohexane dichloride mono-sulfoxide","1,2-diammonio-cyclohexane dichloride mono-sulfoxide","","- C10 H28 Cl2 N2 O2 S2 -","- C10 H28 Cl2 N2 O2 S2 -","- C10 H28 Cl2 N2 O2 S2 -","1","0.5","","Baisch, Ulrich; Rubini, Katia; Braga, Dario","Remarkable structural similarities between organic co-crystals and a metal‒organic coordination network—insights into hydrogen bonded aliphatic ammonium chlorides","CrystEngComm","2008","10","12","1939","","10.1039/b812892h","","","0.7107","MoKα","","0.0644","0.0341","","","0.0712","0.0776","","","","","","0.997","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202451","7.4694","0.0002","15.3118","0.0003","8.097","0.0002","90","","110.144","0.003","90","","869.41","0.04","296","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1-ammonio-2-amine-cyclohexane chloride","1-ammonio-2-amine-cyclohexane chloride","","- C6 H15 Cl N2 -","- C6 H15 Cl N2 -","- C24 H60 Cl4 N8 -","4","1","","Baisch, Ulrich; Rubini, Katia; Braga, Dario","Remarkable structural similarities between organic co-crystals and a metal‒organic coordination network—insights into hydrogen bonded aliphatic ammonium chlorides","CrystEngComm","2008","10","12","1939","","10.1039/b812892h","","","0.7107","MoKα","","0.0562","0.0349","","","0.0835","0.0893","","","","","","1.037","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202452","8.1243","0.0004","15.3477","0.0007","10.0546","0.0004","90","","104.037","0.001","90","","1216.26","0.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C60 H48 N8 O4 -","4","1","","Santra, Ramkinkar; Biradha, Kumar","Stepwise dimerization of double [2 + 2] reaction in the co-crystals of 1,5-bis(4-pyridyl)-1,4-pentadiene-3-one and phloroglucinol: a single-crystal to single-crystal transformation","CrystEngComm","2008","10","11","1524","","10.1039/b813721h","","","0.71073","MoKα","","0.0658","0.0441","","","0.1172","0.1266","","","","","","0.977","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202453","9.543","0.004","21.387","0.009","8.802","0.004","90","","94.868","0.013","90","","1790","1.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 N2 O3 -","- C21 H18 N2 O3 -","- C84 H72 N8 O12 -","4","1","","Santra, Ramkinkar; Biradha, Kumar","Stepwise dimerization of double [2 + 2] reaction in the co-crystals of 1,5-bis(4-pyridyl)-1,4-pentadiene-3-one and phloroglucinol: a single-crystal to single-crystal transformation","CrystEngComm","2008","10","11","1524","","10.1039/b813721h","","","0.71073","MoKα","","0.0781","0.0427","","","0.1038","0.1155","","","","","","0.968","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202454","15.7801","0.0013","13.6092","0.0011","19.7644","0.0016","90","","91.767","0.003","90","","4242.5","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H21 N3 O4 -","- C23 H21 N3 O4 -","- C184 H168 N24 O32 -","8","1","","Santra, Ramkinkar; Biradha, Kumar","Stepwise dimerization of double [2 + 2] reaction in the co-crystals of 1,5-bis(4-pyridyl)-1,4-pentadiene-3-one and phloroglucinol: a single-crystal to single-crystal transformation","CrystEngComm","2008","10","11","1524","","10.1039/b813721h","","","0.71073","MoKα","","0.1225","0.055","","","0.1348","0.1556","","","","","","1.02","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202455","15.333","0.007","13.061","0.006","20.359","0.009","90","","90.412","0.016","90","","4077","3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C46 H42 N6 O8 -","- C46 H42 N6 O8 -","- C184 H168 N24 O32 -","4","0.5","","Santra, Ramkinkar; Biradha, Kumar","Stepwise dimerization of double [2 + 2] reaction in the co-crystals of 1,5-bis(4-pyridyl)-1,4-pentadiene-3-one and phloroglucinol: a single-crystal to single-crystal transformation","CrystEngComm","2008","10","11","1524","","10.1039/b813721h","","","0.71073","MoKα","","0.1779","0.0678","","","0.1573","0.1914","","","","","","0.942","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202456","15.415","0.003","13.17","0.003","20.423","0.004","90","","91.224","0.006","90","","4145.2","1.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C46 H42 N6 O8 -","- C46 H42 N6 O8 -","- C184 H168 N24 O32 -","4","0.5","","Santra, Ramkinkar; Biradha, Kumar","Stepwise dimerization of double [2 + 2] reaction in the co-crystals of 1,5-bis(4-pyridyl)-1,4-pentadiene-3-one and phloroglucinol: a single-crystal to single-crystal transformation","CrystEngComm","2008","10","11","1524","","10.1039/b813721h","","","0.71073","MoKα","","0.1617","0.0697","","","0.1604","0.1878","","","","","","0.964","","","","has coordinates,has disorder","180355","2020-10-21","18:00:00",""
"7202457","9.1425","0.0008","18.5623","0.0016","16.1103","0.0015","90","","102.989","0.003","90","","2664.1","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H32 N4 O4 -","- C30 H24 N4 O2 -","- C120 H96 N16 O8 -","4","1","","Santra, Ramkinkar; Biradha, Kumar","Stepwise dimerization of double [2 + 2] reaction in the co-crystals of 1,5-bis(4-pyridyl)-1,4-pentadiene-3-one and phloroglucinol: a single-crystal to single-crystal transformation","CrystEngComm","2008","10","11","1524","","10.1039/b813721h","","","0.71073","MoKα","","0.0835","0.0485","","","0.1625","0.2014","","","","","","0.71","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202458","16.7103","0.0016","17.1894","0.0016","18.881","0.003","101.334","0.007","101.137","0.007","116.285","0.005","4519.2","1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C85 H85 Cl15 Co2 N8 -","- C85 H85 Cl15 Co2 N8 -","- C170 H170 Cl30 Co4 N16 -","2","1","","Ma, Li; Shin, Ji-Young; Patrick, Brian O.; Dolphin, David","Metal complexes of dipyrromethenes linked by rigid spacer arms","CrystEngComm","2008","10","11","1531","","10.1039/b814586e","","","0.71073","MoKα","","0.1331","0.0826","","","0.2209","0.2562","","","","","","1.048","","","","has coordinates,has disorder","180355","2020-10-21","18:00:00",""
"7202459","13.5936","0.0009","18.5791","0.0012","24.3507","0.0017","90.743","0.003","92.11","0.002","102.012","0.003","6009.9","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C90 H80 Cl6 Co2 N10 -","- C90 H80 Cl6 Co2 N10 -","- C180 H160 Cl12 Co4 N20 -","2","1","","Ma, Li; Shin, Ji-Young; Patrick, Brian O.; Dolphin, David","Metal complexes of dipyrromethenes linked by rigid spacer arms","CrystEngComm","2008","10","11","1531","","10.1039/b814586e","","","0.71073","MoKα","","0.1361","0.0808","","","0.2046","0.2212","","","","","","0.953","","","","has coordinates,has disorder","180355","2020-10-21","18:00:00",""
"7202460","19.6504","0.001","19.6504","0.001","60.258","0.004","90","","90","","120","","20151","2","173","2","173","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C116 H136 Cl4 N12 Zn3 -","- C115.248 H134.496 Cl2.496 N12 Zn3 -","- C691.488 H806.976 Cl14.976 N72 Zn18 -","6","0.166667","","Ma, Li; Shin, Ji-Young; Patrick, Brian O.; Dolphin, David","Metal complexes of dipyrromethenes linked by rigid spacer arms","CrystEngComm","2008","10","11","1531","","10.1039/b814586e","","","0.71073","MoKα","","0.0657","0.0449","","","0.1271","0.1341","","","","","","1.09","","","","has coordinates,has disorder","180355","2020-10-21","18:00:00",""
"7202461","14.4662","0.0018","30.099","0.004","16.497","0.002","90","","91.872","0.002","90","","7179.3","1.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","MJR458","","","- C74 H48 N4 Ni2 O12 -","- C74 H48 N4 Ni2 O12 -","- C296 H192 N16 Ni8 O48 -","4","1","","Heck, Romain; Bacsa, John; Warren, John E.; Rosseinsky, Matthew J.; Bradshaw, Darren","Triply interpenetrated (3,4)- and (3,5)-connected binodal metal‒organic networks prepared from 1,3,5-benzenetrisbenzoate and 4,4′-bipyridyl","CrystEngComm","2008","10","11","1687","","10.1039/b815423f","","","0.671","synchrotron","","0.1134","0.0764","","","0.1901","0.2074","","","","","","1.038","","","","has coordinates,has disorder","180355","2020-10-21","18:00:00",""
"7202462","31.053","0.002","31.053","0.002","16.9025","0.0012","90","","90","","120","","14115.3","1.6","100","2","100","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","RH195","","","- C111 H96 N6 Ni3 O18 -","- C111 H96 N6 Ni3 O18 -","- C666 H576 N36 Ni18 O108 -","6","0.166667","","Heck, Romain; Bacsa, John; Warren, John E.; Rosseinsky, Matthew J.; Bradshaw, Darren","Triply interpenetrated (3,4)- and (3,5)-connected binodal metal‒organic networks prepared from 1,3,5-benzenetrisbenzoate and 4,4′-bipyridyl","CrystEngComm","2008","10","11","1687","","10.1039/b815423f","","","0.71073","MoKα","","0.0869","0.0568","","","0.1419","0.1487","","","","","","0.963","","","","has coordinates,has disorder","180355","2020-10-21","18:00:00",""
"7202476","27.5164","0.0019","27.5164","0.0019","14.685","0.002","90","","90","","120","","9629.1","1.6","173","2","173","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C60 H96 N12 O18 -","- C60.03 H96 N12 O18 -","- C360.18 H576 N72 O108 -","6","0.166667","","Lee, Ho Yong; Kim, Hae-Jo; Lee, Kyoung Jae; Lah, Myoung Soo; Hong, Jong-In","Formation of a discrete helical assembly and packing pattern through charged hydrogen bonds and van der Waals interactions","CrystEngComm","2007","9","1","78","","10.1039/b610512b","","","0.71073","MoKα","","0.1472","0.0729","","","0.2045","0.2573","","","","","","1.016","","","","has coordinates,has disorder","180355","2020-10-21","18:00:00",""
"7202510","25.531","0.005","25.531","0.005","14.907","0.005","90","0.005","90","0.005","120","0.005","8415","4","193","2","193","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C100 H126 N4 Ni2 O9 -","- C100 H126 N4 Ni2 O9 -","- C300 H378 N12 Ni6 O27 -","3","0.5","","Chen, Zhen-Feng; Zhang, Shu-Feng; Luo, Hai-Sheng; Abrahams, Brendan F.; Liang, Hong","Ni2(R*COO)4(H2O)(4,4?-bipy)2?a robust homochiral quartz-like network with large chiral channels","CrystEngComm","2007","9","1","27","","10.1039/b613047j","","","0.71073","MoKα","","0.0912","0.0769","","","0.1818","0.1892","","","","","","1.165","","","","has coordinates,has disorder","180356","2020-10-21","18:00:00",""
"7202511","3.8017","0.0015","6.6115","0.0032","14.485","0.006","100.68","0.08","94.4","0.06","102.11","0.05","347.3","0.3","","","","","","","","","","","Industrial, different phase than CCDC QNACRD03","4","P -1","-P 1","2","5,12-dihydro-quino(2,3-b)acridine-7,14-dione","5,12-dihydro-quino[2,3-b]acridine-7,14-dione","","- C20 H12 N2 O2 -","- C20 H12 N2 O2 -","- C20 H12 N2 O2 -","1","0.5","","Paulus, Erich F.; Leusen, Frank J. J.; Schmidt, Martin U.","Crystal structures of quinacridones","CrystEngComm","2007","9","2","131","","10.1039/b613059c","powder diffraction","","","","","","","","","","","","","4.18","","","","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202512","5.692","0.001","3.975","0.001","30.02","0.04","90","","96.76","0.06","90","","674.5","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","beta-quinacridone (Pigment Violet 19, beta phase)","7,14-dioxo-5,7,12,14-tetrahydro-chinolino-[2,3-b]-acridin","","- C20 H12 N2 O2 -","- C20 H12 N2 O2 -","- C40 H24 N4 O4 -","2","0.5","","Paulus, Erich F.; Leusen, Frank J. J.; Schmidt, Martin U.","Crystal structures of quinacridones","CrystEngComm","2007","9","2","131","","10.1039/b613059c","","","0.7107","MoKα","","0.1997","0.0898","","","0.2057","0.2728","","","","","","0.908","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202513","13.697","0.009","3.881","0.003","13.402","0.001","90","","100.44","0.01","90","","700.6","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","gamma-quinacridone (Pigment Violet 19, gamma phase)","7,14-dioxo-5,7,12,14-tetrahydro-chinolino-[2,3-b]-acridin","","- C20 H12 N2 O2 -","- C20 H12 N2 O2 -","- C40 H24 N4 O4 -","2","0.5","","Paulus, Erich F.; Leusen, Frank J. J.; Schmidt, Martin U.","Crystal structures of quinacridones","CrystEngComm","2007","9","2","131","","10.1039/b613059c","","","0.7107","MoKα","","0.2742","0.209","","","0.425","0.4555","","","","","","1.289","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202517","9.565","0.009","9.897","0.004","13.201","0.004","99.77","0.03","94.17","0.04","115.74","0.07","1094.2","1.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H23 Fe N3 O2 -","- C27 H23 Fe N3 O2 -","- C54 H46 Fe2 N6 O4 -","2","1","","Braga, Dario; Giaffreda, Stefano Luca; Rubini, Katia; Grepioni, Fabrizia; Chierotti, Michele R.; Gobetto, Roberto","Making crystals from crystals: three solvent-free routes to the hydrogen bonded co-crystal between 1,1?-di-pyridyl-ferrocene and anthranilic acid","CrystEngComm","2007","9","1","39","","10.1039/b613569b","","","0.71073","MoKα","","0.1127","0.0843","","","0.2221","0.2491","","","","","","1.027","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202518","10.902","0.002","20.356","0.005","17.467","0.004","90","","90.41","0.003","90","","3876.2","1.5","168","2","168","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Complex 5","","","- C41 H32 Ag2 N6 O11 -","- C41 H32 Ag2 N6 O11 -","- C164 H128 Ag8 N24 O44 -","4","1","","O'Keefe, Brendan J.; Steel, Peter J.","Rings, chains and helicates: dependence of metallosupramolecular topology on positional substitution within silver(i) complexes of six isomeric bis(2-pyridyloxy)naphthalenes","CrystEngComm","2007","9","3","222","","10.1039/b613689c","","","0.71073","MoKα","","0.0866","0.0627","","","0.1227","0.1347","","","","","","1.049","","","","has coordinates,has disorder","180356","2020-10-21","18:00:00",""
"7202519","8.93","0.002","17.71","0.003","11.524","0.002","90","","97.52","0.02","90","","1806.8","0.6","163","2","163","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Complex 7","","","- C20 H14 Ag N3 O5 -","- C20 H14 Ag N3 O5 -","- C80 H56 Ag4 N12 O20 -","4","1","","O'Keefe, Brendan J.; Steel, Peter J.","Rings, chains and helicates: dependence of metallosupramolecular topology on positional substitution within silver(i) complexes of six isomeric bis(2-pyridyloxy)naphthalenes","CrystEngComm","2007","9","3","222","","10.1039/b613689c","","","0.71073","MoKα","","0.0827","0.0413","","","0.0804","0.0873","","","","","","0.828","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202520","7.9","0.003","14.352","0.005","19.379","0.007","73.447","0.005","84.509","0.004","78.025","0.004","2058.7","1.3","168","2","168","2","","","","","","","","5","P -1","-P 1","2","Complex 9","","","- C41.5 H36 Ag2 N6 O12.5 -","- C41.5 H36 Ag2 N6 O12.5 -","- C83 H72 Ag4 N12 O25 -","2","1","","O'Keefe, Brendan J.; Steel, Peter J.","Rings, chains and helicates: dependence of metallosupramolecular topology on positional substitution within silver(i) complexes of six isomeric bis(2-pyridyloxy)naphthalenes","CrystEngComm","2007","9","3","222","","10.1039/b613689c","","","0.71073","MoKα","","0.1273","0.0835","","","0.1867","0.2074","","","","","","1.095","","","","has coordinates,has disorder","180356","2020-10-21","18:00:00",""
"7202521","17.6095","0.0004","18.6243","0.0004","5.4636","0.0001","90","","90","","90","","1791.87","0.06","148","2","148","2","","","","","","","","5","P n a 21","P 2c -2n","33","Complex 10","","","- C20 H14 Ag N3 O5 -","- C20 H14 Ag N3 O5 -","- C80 H56 Ag4 N12 O20 -","4","1","","O'Keefe, Brendan J.; Steel, Peter J.","Rings, chains and helicates: dependence of metallosupramolecular topology on positional substitution within silver(i) complexes of six isomeric bis(2-pyridyloxy)naphthalenes","CrystEngComm","2007","9","3","222","","10.1039/b613689c","","","0.71073","MoKα","","0.0338","0.0278","","","0.0673","0.0696","","","","","","1.072","","","","has coordinates,has disorder","180356","2020-10-21","18:00:00",""
"7202522","10.239","0.003","12.349","0.003","13.888","0.003","96.859","0.004","93.214","0.004","99.553","0.004","1714.1","0.8","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H34 Cl3 N3 O4 -","- C37 H34 Cl3 N3 O4 -","- C74 H68 Cl6 N6 O8 -","2","1","","Chawla, Har Mohindra; Hundal, Geeta; Singh, Suneel Pratap; Upreti, Shailesh","Conformational morphosis in azocalix[4]arenes","CrystEngComm","2007","9","2","119","","10.1039/b613841a","","","0.71073","MoKα","","0.0807","0.0647","","","0.1737","0.1859","","","","","","1.022","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202523","10.142","0.006","11.04","0.007","16.001","0.01","96.551","0.01","106.222","0.01","104.465","0.01","1632.8","1.8","298","2","298","2","","","","","","","","5","P -1","-P 1","2","5-(pyridylazo)-trimethoxycalix(4)arene","","","- C37 H34 Cl3 N3 O4 -","- C37 H34 Cl3 N3 O4 -","- C74 H68 Cl6 N6 O8 -","2","1","","Chawla, Har Mohindra; Hundal, Geeta; Singh, Suneel Pratap; Upreti, Shailesh","Conformational morphosis in azocalix[4]arenes","CrystEngComm","2007","9","2","119","","10.1039/b613841a","","","0.71073","MoKα","","0.1147","0.091","","","0.2331","0.2529","","","","","","1.07","","","","has coordinates,has disorder","180356","2020-10-21","18:00:00",""
"7202525","6.663","0.002","9.045","0.003","10.707","0.003","72.385","0.005","81.655","0.005","69.238","0.005","574.6","0.3","296","2","296","2","","","","","","","see text","3","P -1","-P 1","2","all trans-perhydro-2,3,4a,6,7,8a-naphthalenehexaol monohydrate","all trans-perhydro-2,3,4a,6,7,8a-naphthalenehexaol monohydrate","","- C10 H20 O7 -","- C10 H20 O7 -","- C20 H40 O14 -","2","1","","Mehta, Goverdhan; Sen, Saikat; Venkatesan, Kailasam","Additive induced polymorphous behavior of a conformationally locked hexol","CrystEngComm","2007","9","2","144","","10.1039/b613949c","","","0.71073","MoKa","","0.0439","0.0389","","","0.1034","0.1066","","","","","","1.034","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202526","6.5273","0.0014","5.9589","0.0012","13.166","0.003","90","","90.163","0.003","90","","512.1","0.19","296","2","296","2","","","","","","","see text","3","P 1 21/n 1","-P 2yn","14","all trans-perhydro-2,3,4a,6,7,8a-naphthalenehexaol","all trans-perhydro-2,3,4a,6,7,8a-naphthalenehexaol","","- C10 H18 O6 -","- C10 H18 O6 -","- C20 H36 O12 -","2","0.5","","Mehta, Goverdhan; Sen, Saikat; Venkatesan, Kailasam","Additive induced polymorphous behavior of a conformationally locked hexol","CrystEngComm","2007","9","2","144","","10.1039/b613949c","","","0.71073","MoKa","","0.0443","0.0358","","","0.0759","0.0796","","","","","","1.089","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202544","10.8325","0.0006","15.4222","0.0006","15.6315","0.0007","109.225","0.003","105.122","0.003","105.674","0.003","2191.3","0.2","150","1","150","1","","","","","","","","6","P -1","-P 1","2","((GD(iii)(btp)(NO3)2(H2O)3(MeOH))2btp MeOH NO3) (btp=2,6- bis(N1-1,2,4-triazolyl)pyridine)","","","- C29 H35 Cl Gd N23 O15 -","- C29 H35 Cl Gd N23 O15 -","- C58 H70 Cl2 Gd2 N46 O30 -","2","1","","Youm, Kyoung-Tae; Woo, Hyun Kyung; Ko, Jaejung; Jun, Moo-Jin","Multiple-decked Gd(iii) complexes induced by hydrogen bonds depending on anions","CrystEngComm","2007","9","1","30","","10.1039/b614511f","","","0.71073","MoKα","","0.1073","0.061","","","0.1323","0.156","","","","","","1.008","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202545","10.3789","0.0018","15.428","0.003","16.034","0.003","61.427","0.002","80.926","0.003","72.591","0.003","2151.2","0.7","233","2","233","2","","","","","","","","5","P -1","-P 1","2","((GD(iii)(btp)(NO3)2(H2O)4)2btp H2O MeOH NO3) (btp=2,6-bis(N1- 1,2,4-triazolyl)pyridine)","","","- C29 H33 Gd N24 O14 -","- C28 H33 Gd N24 O14.5 -","- C56 H66 Gd2 N48 O29 -","2","1","","Youm, Kyoung-Tae; Woo, Hyun Kyung; Ko, Jaejung; Jun, Moo-Jin","Multiple-decked Gd(iii) complexes induced by hydrogen bonds depending on anions","CrystEngComm","2007","9","1","30","","10.1039/b614511f","","","0.71073","MoKα","","0.0596","0.0461","","","0.0938","0.0993","","","","","","1.074","","","","has coordinates,has disorder","180356","2020-10-21","18:00:00",""
"7202546","10.085","0.001","9.811","0.001","17.915","0.001","90","","101.639","0.001","90","","1736.1","0.3","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H24 Cl2 N2 O2 -","- C14 H24 Cl2 N2 O2 -","- C56 H96 Cl8 N8 O8 -","4","1","","Lukasz Dobrzycki; Maksymilian Chruszcz; Wladek Minor; Krzysztof Woźniak","Stacks of DMANH+? scaffolding for ribbon shaped Cl? bridged oxonium ions","CrystEngComm","2007","9","2","152","","10.1039/b614785b","","","0.71073","MoKα","","0.0362","0.03","","","0.0895","0.0936","","","","","","1.041","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202547","9.646","0.001","9.901","0.001","10.148","0.001","70.539","0.001","74.132","0.001","80.887","0.001","876.57","0.15","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H24 Cl2 N2 O2 -","- C14 H24 Cl2 N2 O2 -","- C28 H48 Cl4 N4 O4 -","2","1","","Lukasz Dobrzycki; Maksymilian Chruszcz; Wladek Minor; Krzysztof Woźniak","Stacks of DMANH+? scaffolding for ribbon shaped Cl? bridged oxonium ions","CrystEngComm","2007","9","2","152","","10.1039/b614785b","","","0.71073","MoKα","","0.0308","0.0279","","","0.086","0.0882","","","","","","1.036","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202548","23.2912","0.0009","11.9028","0.0004","13.1852","0.0005","90","","105.417","0.003","90","","3523.8","0.2","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H51 Cl3 N4 O6 -","- C28 H51 Cl3 N4 O6 -","- C112 H204 Cl12 N16 O24 -","4","1","","Lukasz Dobrzycki; Maksymilian Chruszcz; Wladek Minor; Krzysztof Woźniak","Stacks of DMANH+? scaffolding for ribbon shaped Cl? bridged oxonium ions","CrystEngComm","2007","9","2","152","","10.1039/b614785b","","","0.71073","MoKα","","0.1086","0.0381","","","0.0872","0.0936","","","","","","0.806","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202549","13.1816","0.0003","11.8826","0.0003","22.35","0.0005","90","","90","","90","","3500.72","0.14","103","2","103","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C28 H38 Cl3 N4 O6 -","- C28 H38 Cl3 N4 O6 -","- C112 H152 Cl12 N16 O24 -","4","1","","Lukasz Dobrzycki; Maksymilian Chruszcz; Wladek Minor; Krzysztof Woźniak","Stacks of DMANH+? scaffolding for ribbon shaped Cl? bridged oxonium ions","CrystEngComm","2007","9","2","152","","10.1039/b614785b","","","0.71073","MoKα","","0.0684","0.0615","","","0.1687","0.1746","","","","","","1.062","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202550","15.214","0.002","25.819","0.002","19.042","0.002","90","","95.003","0.002","90","","7451.4","1.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 Cd N10 S2 -","- C14 H12 Cd N10 S2 -","- C224 H192 Cd16 N160 S32 -","16","2","","Jana, Atish Dipankar; Ghosh, Ananta Kumar; Ghoshal, Debajyoti; Mostafa, Golam; Chaudhuri, Nirmalendu Ray","Towards rational design of supramolecular helices using linear pseudohalides in Cd(ii) - 2,2?-biimidazole system","CrystEngComm","2007","9","4","304","","10.1039/b614979k","","","0.7107","MoKα","","0.0944","0.0596","","","0.1002","0.1124","","","","","","1.215","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202551","7.6958","0.0002","7.6958","0.0002","28.592","0.002","90","","90","","120","","1466.5","0.12","293","2","293","2","","","","","","","","5","P 32 1 2","P 32 2 (0 0 2)","153","","","","- C14 H12 Cd N10 Se2 -","- C14 H12 Cd N10 Se2 -","- C42 H36 Cd3 N30 Se6 -","3","0.5","","Jana, Atish Dipankar; Ghosh, Ananta Kumar; Ghoshal, Debajyoti; Mostafa, Golam; Chaudhuri, Nirmalendu Ray","Towards rational design of supramolecular helices using linear pseudohalides in Cd(ii) - 2,2?-biimidazole system","CrystEngComm","2007","9","4","304","","10.1039/b614979k","","","0.7107","MoKα","","0.0657","0.0648","","","0.1719","0.1734","","","","","","1.105","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202552","13.3982","0.0004","7.7207","0.0002","19.1997","0.0005","90","","90","","90","","1986.08","0.09","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C16 H12 Cd N14 -","- C16 H12 Cd N14 -","- C64 H48 Cd4 N56 -","4","0.5","","Jana, Atish Dipankar; Ghosh, Ananta Kumar; Ghoshal, Debajyoti; Mostafa, Golam; Chaudhuri, Nirmalendu Ray","Towards rational design of supramolecular helices using linear pseudohalides in Cd(ii) - 2,2?-biimidazole system","CrystEngComm","2007","9","4","304","","10.1039/b614979k","","","0.71073","MoKα","","0.0555","0.0544","","","0.146","0.147","","","","","","1.142","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202553","17.93","0.004","3.938","0.001","25.723","0.006","90","","90","","90","","1816.3","0.7","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","bis(N-(3-pyridyl)acetamide) fumaric acid","bis[N-(3-pyridyl)acetamide] fumaric acid","","- C18 H20 N4 O6 -","- C18 H20 N4 O6 -","- C72 H80 N16 O24 -","4","1","","Christer B. Aakeröy; Izhar Hussain; Safiyyah Forbes; John Desper","Exploring the hydrogen-bond preference of N?H moieties in co-crystals assembled via O?H(acid)?N(py) intermolecular interactions","CrystEngComm","2007","9","1","46","","10.1039/b614984g","","","0.71073","MoKα","","0.114","0.0861","","","0.2101","0.2264","","","","","","1.11","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202554","4.9718","0.001","7.0047","0.0011","15.101","0.002","77.032","0.01","89.414","0.012","82.324","0.012","507.8","0.15","173","2","173","2","","","","","","","","4","P -1","-P 1","2","(N-((4-pyridyl)methyl)acetamide)2, fumaric acid","{N-[(4-pyridyl)methyl]acetamide}2, fumaric acid","","- C20 H24 N4 O6 -","- C20 H24 N4 O6 -","- C20 H24 N4 O6 -","1","0.5","","Christer B. Aakeröy; Izhar Hussain; Safiyyah Forbes; John Desper","Exploring the hydrogen-bond preference of N?H moieties in co-crystals assembled via O?H(acid)?N(py) intermolecular interactions","CrystEngComm","2007","9","1","46","","10.1039/b614984g","","","0.71073","MoKα","","0.1513","0.0883","","","0.2423","0.292","","","","","","0.941","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202555","28.532","0.003","8.2965","0.0008","10.612","0.001","90","","101.987","0.002","90","","2457.3","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","N-(4-pyridyl)acetamide, sebacic acid","N-(4-pyridyl)acetamide, sebacic acid","","- C24 H34 N4 O6 -","- C24 H34 N4 O6 -","- C96 H136 N16 O24 -","4","0.5","","Christer B. Aakeröy; Izhar Hussain; Safiyyah Forbes; John Desper","Exploring the hydrogen-bond preference of N?H moieties in co-crystals assembled via O?H(acid)?N(py) intermolecular interactions","CrystEngComm","2007","9","1","46","","10.1039/b614984g","","","0.71073","MoKα","","0.0661","0.0555","","","0.1544","0.16","","","","","","1.066","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202556","4.7523","0.0007","24.295","0.003","10.0355","0.0012","90","","97.944","0.01","90","","1147.6","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-(acetamidomethyl)pyridine, adipic acid","4-(acetamidomethyl)pyridine, adipic acid","","- C22 H30 N4 O6 -","- C22 H30 N4 O6 -","- C44 H60 N8 O12 -","2","0.5","","Christer B. Aakeröy; Izhar Hussain; Safiyyah Forbes; John Desper","Exploring the hydrogen-bond preference of N?H moieties in co-crystals assembled via O?H(acid)?N(py) intermolecular interactions","CrystEngComm","2007","9","1","46","","10.1039/b614984g","","","0.71073","MoKα","","0.099","0.062","","","0.1318","0.1486","","","","","","0.965","","","","has coordinates,has disorder","180356","2020-10-21","18:00:00",""
"7202557","34.784","0.006","57.476","0.012","4.7674","0.0009","90","","90","","90","","9531","3","153","2","153","2","","","","","","","","4","F d d 2","F 2 -2d","43","(4-(aminomethyl)pyridine acetate)2, isophthalic acid","[4-(aminomethyl)pyridine acetate]2, isophthalic acid","","- C24 H26 N4 O6 -","- C24 H26 N4 O6 -","- C384 H416 N64 O96 -","16","1","","Christer B. Aakeröy; Izhar Hussain; Safiyyah Forbes; John Desper","Exploring the hydrogen-bond preference of N?H moieties in co-crystals assembled via O?H(acid)?N(py) intermolecular interactions","CrystEngComm","2007","9","1","46","","10.1039/b614984g","","","0.71073","MoKα","","0.1642","0.0699","","","0.1559","0.1904","","","","","","0.824","","","","has coordinates,has disorder","180356","2020-10-21","18:00:00",""
"7202558","18.5868","0.0012","6.8213","0.0005","14.0335","0.001","90","","103.406","0.004","90","","1730.8","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N-(4-pyridylmethyl)acetamide, 5-nitroisophthalic acid hydrate","N-(4-pyridylmethyl)acetamide, 5-nitroisophthalic acid hydrate","","- C16 H17 N3 O8 -","- C16 H17 N3 O8 -","- C64 H68 N12 O32 -","4","1","","Christer B. Aakeröy; Izhar Hussain; Safiyyah Forbes; John Desper","Exploring the hydrogen-bond preference of N?H moieties in co-crystals assembled via O?H(acid)?N(py) intermolecular interactions","CrystEngComm","2007","9","1","46","","10.1039/b614984g","","","0.71073","MoKα","","0.1282","0.0683","","","0.1736","0.2112","","","","","","1.032","","","","has coordinates,has disorder","180356","2020-10-21","18:00:00",""
"7202559","7.173","0.0008","7.6117","0.0008","11.9194","0.0013","80.462","0.007","75.807","0.007","87.896","0.007","622.19","0.12","173","2","173","2","","","","","","","","4","P -1","-P 1","2","N-(4-pyridyl)acetamide, glutaric acid","N-(4-pyridyl)acetamide, glutaric acid","","- C12 H16 N2 O5 -","- C12 H16 N2 O5 -","- C24 H32 N4 O10 -","2","1","","Christer B. Aakeröy; Izhar Hussain; Safiyyah Forbes; John Desper","Exploring the hydrogen-bond preference of N?H moieties in co-crystals assembled via O?H(acid)?N(py) intermolecular interactions","CrystEngComm","2007","9","1","46","","10.1039/b614984g","","","0.71073","MoKα","","0.0664","0.0542","","","0.1396","0.1483","","","","","","1","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202560","6.862","0.0003","10.228","0.0005","12.58","0.0006","97.06","0.003","92.723","0.0019","102.455","0.005","853.11","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","1,1,6,6-tetraphenyl-2,4-hexadiyne-1,6-diol 3,7- Diazatricyclo(4.2.2.22,5)dodeca-9,11-diene-4,8-dione,2,6-dimethyl clathrate","1,1,6,6-tetraphenyl-2,4-hexadiyne-1,6-diol 3,7-Diazatricyclo[4.2.2.22,5]dodeca-9,11-diene- 4,8-dione,2,6-dimethyl clathrate","","- C21 H18 N O2 -","- C21 H18 N O2 -","- C42 H36 N2 O4 -","2","1","","Lavy, Tali; Kaftory, Menahem","Channels formation through photodimerization of guest molecules within solid inclusion compounds","CrystEngComm","2007","9","2","123","","10.1039/b615032b","","","0.71073","MoKα","","0.2706","0.0763","","","0.1555","0.2193","","","","","","0.931","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202561","10.864","0.003","11.536","0.003","16.32","0.006","95.128","0.011","108.375","0.014","112.176","0.015","1746.2","1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","1,1,6,6-tetraphenyl-2,4- hexadiyne-1,6-diol 3,7- Diazatricyclo(4.2.2.22,5)dodeca-9,11-diene-4,8-dione,2,6-dimethyl clathrate monohydrate","1,1,6,6-tetraphenyl-2,4- hexadiyne-1,6-diol 3,7-Diazatricyclo[4.2.2.22,5]dodeca-9,11-diene- 4,8-dione,2,6-dimethyl clathrate monohydrate","","- C42 H38 N2 O5 -","- C42 H38 N2 O5 -","- C84 H76 N4 O10 -","2","1","","Lavy, Tali; Kaftory, Menahem","Channels formation through photodimerization of guest molecules within solid inclusion compounds","CrystEngComm","2007","9","2","123","","10.1039/b615032b","","","0.71073","MoKα","","0.1765","0.0387","","","0.0814","0.1202","","","","","","0.608","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202562","8.4564","0.0004","10.8394","0.0004","11.3593","0.0006","64.012","0.003","79.957","0.002","68.499","0.002","870.69","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","1,1,6,6-tetraphenyl-2,4- hexadiyne-1,6-diol bis(6-methyl-2- (1H)-pyridone) clathrate","1,1,6,6-tetraphenyl-2,4- hexadiyne-1,6-diol bis(6-methyl-2-(1H)-pyridone) clathrate","","- C21 H18 N O2 -","- C21 H17.16 N O2 -","- C42 H34.32 N2 O4 -","2","1","","Lavy, Tali; Kaftory, Menahem","Channels formation through photodimerization of guest molecules within solid inclusion compounds","CrystEngComm","2007","9","2","123","","10.1039/b615032b","","","0.71073","MoKα","","0.0756","0.0516","","","0.1578","0.1663","","","","","","1.064","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202563","7.7433","0.0009","7.7868","0.0008","13.5188","0.0017","88.115","0.004","76.675","0.004","86.03","0.008","791.16","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","1,1,6,6-tetraphenyl-2,4- hexadiyne-1,6-diol (3,7- Diazatricyclo(4.2.2.22,5)dodeca-9,11-diene-4,8-dione) clathrate","1,1,6,6-tetraphenyl-2,4- hexadiyne-1,6-diol (3,7-Diazatricyclo[4.2.2.22,5]dodeca-9,11-diene-4,8-dione) clathrate","","- C20 H16 N O2 -","- C20 H16 N O2 -","- C40 H32 N2 O4 -","2","1","","Lavy, Tali; Kaftory, Menahem","Channels formation through photodimerization of guest molecules within solid inclusion compounds","CrystEngComm","2007","9","2","123","","10.1039/b615032b","","","0.71073","MoKα","","0.1293","0.1001","","","0.2983","0.3199","","","","","","1.093","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202564","6.151","0.006","9.114","0.011","13.112","0.002","95.93","0.05","93.28","0.05","100.18","0.06","717.5","1.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","1,1,6,6-tetraphenyl-2,4- hexadiyne-1,6-diol (3,7- Diazatricyclo(4.2.2.22,5)dodeca-9,11-diene-4,8-dione) clathrate","1,1,6,6-tetraphenyl-2,4- hexadiyne-1,6-diol (3,7-Diazatricyclo[4.2.2.22,5]dodeca-9,11-diene-4,8-dione) clathrate","","- C20 H16 N O2 -","- C20 H16 N O2 -","- C40 H32 N2 O4 -","2","1","","Lavy, Tali; Kaftory, Menahem","Channels formation through photodimerization of guest molecules within solid inclusion compounds","CrystEngComm","2007","9","2","123","","10.1039/b615032b","","","0.71073","MoKα","","0.2102","0.1324","","","0.3794","0.4203","","","","","","1.485","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202565","10.555","0.002","13.574","0.003","17.197","0.003","81.04","0.02","80.96","0.02","81.74","0.02","2385.6","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","1,1,6,6-tetraphenyl-2,4- hexadiyne-1,6-diol(3,7- Diazatricyclo(4.2.2.22,5) dodeca-9,11-diene-4,8-dione)water clathrate","","","- C60 H50 N3 O7 -","- C60 H48 N3 O6.394 -","- C120 H96 N6 O12.788 -","2","1","","Lavy, Tali; Kaftory, Menahem","Channels formation through photodimerization of guest molecules within solid inclusion compounds","CrystEngComm","2007","9","2","123","","10.1039/b615032b","","","0.71073","MoKα","","0.2164","0.1003","","","0.2628","0.2969","","","","","","0.87","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202566","7.7919","0.0002","8.0674","0.0003","13.4552","0.0006","85.0897","0.0014","75.6634","0.0013","81.16","0.002","808.73","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","1,1,6,6-tetraphenyl-2,4- hexadiyne-1,6-diol bis(2-(1H)- pyridone) clathrate","1,1,6,6-tetraphenyl-2,4- hexadiyne-1,6-diol bis(2-(1H)-pyridone) clathrate","","- C20 H16 N O2 -","- C20 H16 N O2 -","- C40 H32 N2 O4 -","2","1","","Lavy, Tali; Kaftory, Menahem","Channels formation through photodimerization of guest molecules within solid inclusion compounds","CrystEngComm","2007","9","2","123","","10.1039/b615032b","","","0.71073","MoKα","","0.0594","0.0369","","","0.0947","0.1002","","","","","","0.912","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202567","11.5","0.005","17.654","0.008","12.048","0.005","90","","95.909","0.01","90","","2433","1.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H48 N6 O20 Zn3 -","- C40 H46 N6 O20 Zn3 -","- C80 H92 N12 O40 Zn6 -","2","0.5","","Wang, Chuan-Feng; Zhu, Zhen-Yu; Zhang, Zheng-Xing; Chen, Zhen-Xia; Zhou, Xi-Geng","Crystal engineering of zinc(ii) and copper(ii) complexes containing 3,5-dimethylisoxazole-4-carboxylate ligand via O?H?N, C?H?A (A = N, O and ?) and bifurcated C?H?N/O interactions","CrystEngComm","2007","9","1","35","","10.1039/b615091h","","","0.71073","MoKα","","0.1273","0.0794","","","0.1876","0.2013","","","","","","0.842","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202568","10.122","0.007","10.124","0.007","11.446","0.008","88.961","0.009","69.655","0.009","89.692","0.009","1099.6","1.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H40 N6 O20 Zn3 -","- C36 H40 N6 O20 Zn3 -","- C36 H40 N6 O20 Zn3 -","1","0.5","","Wang, Chuan-Feng; Zhu, Zhen-Yu; Zhang, Zheng-Xing; Chen, Zhen-Xia; Zhou, Xi-Geng","Crystal engineering of zinc(ii) and copper(ii) complexes containing 3,5-dimethylisoxazole-4-carboxylate ligand via O?H?N, C?H?A (A = N, O and ?) and bifurcated C?H?N/O interactions","CrystEngComm","2007","9","1","35","","10.1039/b615091h","","","0.71073","MoKα","","0.0327","0.0297","","","0.0847","0.0864","","","","","","1.05","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202569","11.377","0.007","20.36","0.012","11.665","0.007","90","","103.981","0.008","90","","2622","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H44 N8 O18 Zn3 -","- C46 H44 N8 O18 Zn3 -","- C92 H88 N16 O36 Zn6 -","2","0.5","","Wang, Chuan-Feng; Zhu, Zhen-Yu; Zhang, Zheng-Xing; Chen, Zhen-Xia; Zhou, Xi-Geng","Crystal engineering of zinc(ii) and copper(ii) complexes containing 3,5-dimethylisoxazole-4-carboxylate ligand via O?H?N, C?H?A (A = N, O and ?) and bifurcated C?H?N/O interactions","CrystEngComm","2007","9","1","35","","10.1039/b615091h","","","0.71073","MoKα","","0.0951","0.0548","","","0.1317","0.1454","","","","","","0.904","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202570","5.738","0.003","9.471","0.005","10.852","0.007","64.246","0.007","80.464","0.012","89.857","0.009","522.2","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H10 Cu0.5 N2 O3 -","- C11 H10 Cu0.5 N2 O3 -","- C22 H20 Cu N4 O6 -","2","1","","Wang, Chuan-Feng; Zhu, Zhen-Yu; Zhang, Zheng-Xing; Chen, Zhen-Xia; Zhou, Xi-Geng","Crystal engineering of zinc(ii) and copper(ii) complexes containing 3,5-dimethylisoxazole-4-carboxylate ligand via O?H?N, C?H?A (A = N, O and ?) and bifurcated C?H?N/O interactions","CrystEngComm","2007","9","1","35","","10.1039/b615091h","","","0.71073","MoKα","","0.0958","0.0508","","","0.0854","0.0932","","","","","","0.777","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202571","10.028","0.004","12.693","0.005","11.881","0.005","90","","97.236","0.006","90","","1500.2","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 Cu N2 O6 -","- C12 H12 Cu N2 O6 -","- C48 H48 Cu4 N8 O24 -","4","1","","Wang, Chuan-Feng; Zhu, Zhen-Yu; Zhang, Zheng-Xing; Chen, Zhen-Xia; Zhou, Xi-Geng","Crystal engineering of zinc(ii) and copper(ii) complexes containing 3,5-dimethylisoxazole-4-carboxylate ligand via O?H?N, C?H?A (A = N, O and ?) and bifurcated C?H?N/O interactions","CrystEngComm","2007","9","1","35","","10.1039/b615091h","","","0.71073","MoKα","","0.1022","0.0405","","","0.0741","0.0853","","","","","","0.642","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202580","7.768","0.003","14.344","0.006","16.125","0.007","92.98","0.007","95.605","0.007","99.593","0.007","1758.8","1.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H38 N2 Nd2 O14 -","- C31 H38 N2 Nd2 O14 -","- C62 H76 N4 Nd4 O28 -","2","1","","Cahill, Christopher L.; de Lill, Daniel T.; Frisch, Mark","Homo- and heterometallic coordination polymers from the f elements","CrystEngComm","2007","9","1","15","","10.1039/b615696g","","","0.71073","MoKα","","0.0653","0.036","","","0.0651","0.0711","","","","","","0.858","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202581","7.7447","0.0012","10.1935","0.0016","12.1464","0.0019","80.751","0.003","80.287","0.003","82.818","0.003","928.1","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H24 N O7 Pr -","- C17 H24 N O7 Pr -","- C34 H48 N2 O14 Pr2 -","2","1","","Cahill, Christopher L.; de Lill, Daniel T.; Frisch, Mark","Homo- and heterometallic coordination polymers from the f elements","CrystEngComm","2007","9","1","15","","10.1039/b615696g","","","0.71073","MoKα","","0.0854","0.0498","","","0.0916","0.104","","","","","","0.937","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202582","20.433","0.015","6.762","0.005","13.529","0.012","90","","122.77","0.02","90","","1572","2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C5 H2 N2 O6 U -","- C5 H2 N2 O6 U -","- C40 H16 N16 O48 U8 -","8","1","","Cahill, Christopher L.; de Lill, Daniel T.; Frisch, Mark","Homo- and heterometallic coordination polymers from the f elements","CrystEngComm","2007","9","1","15","","10.1039/b615696g","","","0.71073","MoKα","","0.0333","0.0226","","","0.0397","0.0429","","","","","","1.032","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202583","5.3964","0.0003","13.7766","0.0007","20.9426","0.0011","90","","94.216","0.001","90","","1552.74","0.14","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H6 Cu3 N8 O24 U2 -","- C20 H6 Cu3 N8 O24 U2 -","- C40 H12 Cu6 N16 O48 U4 -","2","0.5","","Cahill, Christopher L.; de Lill, Daniel T.; Frisch, Mark","Homo- and heterometallic coordination polymers from the f elements","CrystEngComm","2007","9","1","15","","10.1039/b615696g","","","0.71073","MoKα","","0.0452","0.0288","","","0.0521","0.0563","","","","","","1.038","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202584","15.529","0.003","9.4144","0.0015","14.66","0.002","90","","116.848","0.003","90","","1912.2","0.5","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H4 Cu N4 O16 U2 -","- C10 H4 Cu N4 O16 U2 -","- C40 H16 Cu4 N16 O64 U8 -","4","0.5","","Cahill, Christopher L.; de Lill, Daniel T.; Frisch, Mark","Homo- and heterometallic coordination polymers from the f elements","CrystEngComm","2007","9","1","15","","10.1039/b615696g","","","0.71073","MoKα","","0.0498","0.038","","","0.0803","0.0846","","","","","","1.091","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202588","8.615","0.0001","16.1796","0.0002","18.0133","0.0002","66.868","0.001","82.44","0.001","81.925","0.001","2278.01","0.05","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H98 Cl12 Cu6 N6 O40 P12 -","- C42 H98 Cl12 Cu6 N6 O40 P12 -","- C42 H98 Cl12 Cu6 N6 O40 P12 -","1","0.5","","Jonna Jokiniemi; Eija Vuokila-Laine; Sirpa Peräniemi; Jouko J. Vepsäläinen; Markku Ahlgrén","Structural study of metal complexes of bisphosphonate amide ester: copper, magnesium, zinc and cadmium complexes of (dichloromethylene)bisphosphonic acid P-piperidinium-P?-methyl ester","CrystEngComm","2007","9","2","158","","10.1039/b616077h","","","0.71073","MoKα","","0.0521","0.041","","","0.0922","0.097","","","","","","1.06","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202589","28.3302","0.0003","7.5044","0.0001","17.4238","0.0003","90","","120.66","0.0005","90","","3186.48","0.08","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C7 H19 Cl2 Mg N O8 P2 -","- C7 H19 Cl2 Mg N O8 P2 -","- C56 H152 Cl16 Mg8 N8 O64 P16 -","8","1","","Jonna Jokiniemi; Eija Vuokila-Laine; Sirpa Peräniemi; Jouko J. Vepsäläinen; Markku Ahlgrén","Structural study of metal complexes of bisphosphonate amide ester: copper, magnesium, zinc and cadmium complexes of (dichloromethylene)bisphosphonic acid P-piperidinium-P?-methyl ester","CrystEngComm","2007","9","2","158","","10.1039/b616077h","","","0.71073","MoKα","","0.0346","0.0277","","","0.0667","0.0702","","","","","","1.043","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202590","9.8138","0.0001","11.2658","0.0001","15.1752","0.0002","100.624","0.001","105.179","0.001","105.465","0.001","1501.22","0.03","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C28 H64 Cl8 N4 Na2 O26 P8 Zn3 -","- C28 H64 Cl8 N4 Na2 O26 P8 Zn3 -","- C28 H64 Cl8 N4 Na2 O26 P8 Zn3 -","1","0.5","","Jonna Jokiniemi; Eija Vuokila-Laine; Sirpa Peräniemi; Jouko J. Vepsäläinen; Markku Ahlgrén","Structural study of metal complexes of bisphosphonate amide ester: copper, magnesium, zinc and cadmium complexes of (dichloromethylene)bisphosphonic acid P-piperidinium-P?-methyl ester","CrystEngComm","2007","9","2","158","","10.1039/b616077h","","","0.71073","MoKα","","0.0387","0.0279","","","0.0671","0.071","","","","","","1.033","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202591","9.1901","0.0002","5.9097","0.0001","16.013","0.0003","90","","103.107","0.001","90","","847.02","0.03","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C7 H21 Cd Cl2 N O9 P2 -","- C7 H21 Cd Cl2 N O9 P2 -","- C14 H42 Cd2 Cl4 N2 O18 P4 -","2","1","","Jonna Jokiniemi; Eija Vuokila-Laine; Sirpa Peräniemi; Jouko J. Vepsäläinen; Markku Ahlgrén","Structural study of metal complexes of bisphosphonate amide ester: copper, magnesium, zinc and cadmium complexes of (dichloromethylene)bisphosphonic acid P-piperidinium-P?-methyl ester","CrystEngComm","2007","9","2","158","","10.1039/b616077h","","","0.71073","MoKα","","0.0247","0.0224","","","0.0479","0.0487","","","","","","1.055","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202592","7.622","0.004","10.286","0.005","24.546","0.013","95.575","0.009","91.129","0.01","95.722","0.01","1904.9","1.7","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H34 Ag2 N8 O12 S2 -","- C34 H30 Ag2 N8 O12 S2 -","- C68 H60 Ag4 N16 O24 S4 -","2","1","","Lian, Zhao-Xun; Cai, Jiwen; Chen, Cai-Hong; Luo, Hai-Bin","Linear silver isonicotinamide complex extended by arenedisulfonate via hydrogen bonds and weak Ag?O interactions","CrystEngComm","2007","9","4","319","","10.1039/b616289d","","","0.71073","MoKα","","0.06","0.0463","","","0.1267","0.1388","","","","","","1.037","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202593","8.281","0.004","10.145","0.005","12.334","0.007","78.948","0.009","80.966","0.01","82.189","0.009","998.4","0.9","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H19 Ag N4 O7 S -","- C17 H19 Ag N4 O7 S -","- C34 H38 Ag2 N8 O14 S2 -","2","1","","Lian, Zhao-Xun; Cai, Jiwen; Chen, Cai-Hong; Luo, Hai-Bin","Linear silver isonicotinamide complex extended by arenedisulfonate via hydrogen bonds and weak Ag?O interactions","CrystEngComm","2007","9","4","319","","10.1039/b616289d","","","0.71073","MoKα","","0.0356","0.0289","","","0.0733","0.0771","","","","","","1.087","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202594","9.601","0.005","10.292","0.006","11.721","0.007","78.733","0.01","87.057","0.01","65.7","0.009","1034.7","1","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H20 Ag N4 O7 S -","- C18 H20 Ag N4 O7 S -","- C36 H40 Ag2 N8 O14 S2 -","2","1","","Lian, Zhao-Xun; Cai, Jiwen; Chen, Cai-Hong; Luo, Hai-Bin","Linear silver isonicotinamide complex extended by arenedisulfonate via hydrogen bonds and weak Ag?O interactions","CrystEngComm","2007","9","4","319","","10.1039/b616289d","","","0.71073","MoKα","","0.0368","0.029","","","0.0745","0.0805","","","","","","1.029","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202595","9.464","0.0019","12.346","0.003","18.082","0.004","100.51","0.03","103.36","0.03","102.01","0.03","1950.7","0.9","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H64 Ag4 N16 O22 S4 -","- C72 H64 Ag4 N16 O22 S4 -","- C72 H64 Ag4 N16 O22 S4 -","1","0.5","","Lian, Zhao-Xun; Cai, Jiwen; Chen, Cai-Hong; Luo, Hai-Bin","Linear silver isonicotinamide complex extended by arenedisulfonate via hydrogen bonds and weak Ag?O interactions","CrystEngComm","2007","9","4","319","","10.1039/b616289d","","","0.71073","MoKα","","0.0836","0.0512","","","0.1326","0.1495","","","","","","1.056","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202596","16.7531","0.0013","16.7531","0.0013","10.8111","0.0012","90","","90","","120","","2627.8","0.4","298","2","298","2","","","","","","","","5","P 6/m","-P 6","175","","","","- C26 H39.33 Cu2 N2 O20.66 -","- C26 H39.3208 Cu2 N2 O20.66 -","- C78 H117.962 Cu6 N6 O61.98 -","3","0.25","","Wang, Su-Na; Bai, Junfeng; Li, Yi-Zhi; Scheer, Manfred; You, Xiao-Zeng","Metal disordering Cu(ii) supramolecular polymers constructed from a tripodal ligand possessing two different functional groups","CrystEngComm","2007","9","3","228","","10.1039/b616315g","","","0.71073","MoKα","","0.0925","0.0599","","","0.1223","0.1322","","","","","","1.163","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202597","28.937","0.003","28.937","0.003","10.6939","0.0014","90","","90","","120","","7754.9","1.5","153","2","153","2","","","","","","","","5","P -3","-P 3","147","","","","- C252 H368 Cu18 N24 O178 -","- C252 H368.018 Cu18 N24 O178 -","- C252 H368.018 Cu18 N24 O178 -","1","0.166667","","Wang, Su-Na; Bai, Junfeng; Li, Yi-Zhi; Scheer, Manfred; You, Xiao-Zeng","Metal disordering Cu(ii) supramolecular polymers constructed from a tripodal ligand possessing two different functional groups","CrystEngComm","2007","9","3","228","","10.1039/b616315g","","","0.71073","MoKα","","0.0925","0.0619","","","0.1439","0.1525","","","","","","1.022","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202598","10.875","0.0001","11.4418","0.0001","14.8044","0.0002","107.154","0.001","98.373","0.001","108.36","0.001","1611.74","0.04","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H33 Cl2 N O4 P2 Pd -","- C34 H33 Cl2 N O4 P2 Pd -","- C68 H66 Cl4 N2 O8 P4 Pd2 -","2","1","","Smith, Martin B.; Dale, Sophie H.; Coles, Simon J.; Gelbrich, Thomas; Hursthouse, Michael B.; Light, Mark E.; Horton, Peter N.","Hydrogen bonded supramolecular assemblies based on neutral square-planar palladium(ii) complexes","CrystEngComm","2007","9","2","165","","10.1039/b616337h","","","0.71073","MoKα","","0.0349","0.0288","","","0.0671","0.0705","","","","","","1.022","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202599","28.5307","0.0004","31.9677","0.0006","12.612","0.0002","90","","90","","90","","11502.9","0.3","120","2","120","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C35.66667 H35.66667 Cl2 N O3.66667 P2 Pd -","- C35.6667 H35.6667 Cl2 N O3.66667 P2 Pd -","- C428 H428 Cl24 N12 O44 P24 Pd12 -","12","1.5","","Smith, Martin B.; Dale, Sophie H.; Coles, Simon J.; Gelbrich, Thomas; Hursthouse, Michael B.; Light, Mark E.; Horton, Peter N.","Hydrogen bonded supramolecular assemblies based on neutral square-planar palladium(ii) complexes","CrystEngComm","2007","9","2","165","","10.1039/b616337h","","","0.71073","MoKα","","0.0805","0.0455","","","0.1022","0.1114","","","","","","0.98","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7202600","12.4716","0.0003","16.8605","0.0004","16.8411","0.0004","90","","108.148","0.001","90","","3365.14","0.14","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H33 Cl2 N O4 P2 Pd -","- C34 H33 Cl2 N O4 P2 Pd -","- C136 H132 Cl8 N4 O16 P8 Pd4 -","4","1","","Smith, Martin B.; Dale, Sophie H.; Coles, Simon J.; Gelbrich, Thomas; Hursthouse, Michael B.; Light, Mark E.; Horton, Peter N.","Hydrogen bonded supramolecular assemblies based on neutral square-planar palladium(ii) complexes","CrystEngComm","2007","9","2","165","","10.1039/b616337h","","","0.71073","MoKα","","0.055","0.0408","","","0.1067","0.1139","","","","","","1.013","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202601","9.064","0.0005","24.7367","0.0017","15.9091","0.001","90","","97.144","0.002","90","","3539.3","0.4","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H30 Cl5 N O3 P2 Pd -","- C34 H30 Cl5 N O3 P2 Pd -","- C136 H120 Cl20 N4 O12 P8 Pd4 -","4","1","","Smith, Martin B.; Dale, Sophie H.; Coles, Simon J.; Gelbrich, Thomas; Hursthouse, Michael B.; Light, Mark E.; Horton, Peter N.","Hydrogen bonded supramolecular assemblies based on neutral square-planar palladium(ii) complexes","CrystEngComm","2007","9","2","165","","10.1039/b616337h","","","0.71073","MoKα","","0.1674","0.0665","","","0.1227","0.1531","","","","","","0.993","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202602","9.657","0.005","9.83","0.005","21.63","0.005","86.346","0.005","82.333","0.005","69.59","0.005","1906.9","1.5","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H30 Cl5 N O3 P2 Pd -","- C34 H30 Cl5 N O3 P2 Pd -","- C68 H60 Cl10 N2 O6 P4 Pd2 -","2","1","","Smith, Martin B.; Dale, Sophie H.; Coles, Simon J.; Gelbrich, Thomas; Hursthouse, Michael B.; Light, Mark E.; Horton, Peter N.","Hydrogen bonded supramolecular assemblies based on neutral square-planar palladium(ii) complexes","CrystEngComm","2007","9","2","165","","10.1039/b616337h","","","0.71073","MoKα","","0.0777","0.0456","","","0.1025","0.1106","","","","","","0.991","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202603","10.4008","0.0002","10.906","0.0002","17.6929","0.0005","91.922","0.001","102.16","0.001","117.036","0.001","1728.13","0.07","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H30 Cl5 N O3 P2 Pd -","- C34 H30 Cl5 N O3 P2 Pd -","- C68 H60 Cl10 N2 O6 P4 Pd2 -","2","1","","Smith, Martin B.; Dale, Sophie H.; Coles, Simon J.; Gelbrich, Thomas; Hursthouse, Michael B.; Light, Mark E.; Horton, Peter N.","Hydrogen bonded supramolecular assemblies based on neutral square-planar palladium(ii) complexes","CrystEngComm","2007","9","2","165","","10.1039/b616337h","","","0.71073","MoKα","","0.0359","0.0301","","","0.0687","0.0714","","","","","","1.038","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202604","25.1097","0.001","8.0163","0.0002","19.7326","0.0006","90","","99.948","0.001","90","","3912.2","0.2","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36.5 H39 Cl2 N O6.5 P2 Pd -","- C36.5 H37 Cl2 N O6.5 P2 Pd -","- C146 H148 Cl8 N4 O26 P8 Pd4 -","4","1","","Smith, Martin B.; Dale, Sophie H.; Coles, Simon J.; Gelbrich, Thomas; Hursthouse, Michael B.; Light, Mark E.; Horton, Peter N.","Hydrogen bonded supramolecular assemblies based on neutral square-planar palladium(ii) complexes","CrystEngComm","2007","9","2","165","","10.1039/b616337h","","","0.71073","MoKα","","0.0774","0.0478","","","0.11","0.121","","","","","","1.031","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202605","12.3355","0.0002","13.5157","0.0003","14.6704","0.0002","67.561","0.001","86.733","0.001","80.258","0.001","2228.03","0.07","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C40 H47 Cl2 N O7 P2 Pd S3 -","- C40 H47 Cl2 N O7 P2 Pd S3 -","- C80 H94 Cl4 N2 O14 P4 Pd2 S6 -","2","1","","Smith, Martin B.; Dale, Sophie H.; Coles, Simon J.; Gelbrich, Thomas; Hursthouse, Michael B.; Light, Mark E.; Horton, Peter N.","Hydrogen bonded supramolecular assemblies based on neutral square-planar palladium(ii) complexes","CrystEngComm","2007","9","2","165","","10.1039/b616337h","","","0.71073","MoKα","","0.0568","0.0428","","","0.1064","0.1137","","","","","","1.035","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202606","12.6157","0.0004","31.5085","0.0008","9.9021","0.0002","90","","93.629","0.001","90","","3928.21","0.18","120","2","120","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C37 H41 Cl2 N O5 P2 Pd S2 -","- C37 H41 Cl2 N O5 P2 Pd S2 -","- C148 H164 Cl8 N4 O20 P8 Pd4 S8 -","4","1","","Smith, Martin B.; Dale, Sophie H.; Coles, Simon J.; Gelbrich, Thomas; Hursthouse, Michael B.; Light, Mark E.; Horton, Peter N.","Hydrogen bonded supramolecular assemblies based on neutral square-planar palladium(ii) complexes","CrystEngComm","2007","9","2","165","","10.1039/b616337h","","","0.71073","MoKα","","0.0894","0.0437","","","0.076","0.0877","","","","","","0.954","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202607","19.631","0.004","17.047","0.003","10.506","0.002","90","","90","","90","","3515.8","1.2","150","2","150","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C35 H35 Cl2 N O4 P2 Pd S -","- C35 H35 Cl2 N O4 P2 Pd S -","- C140 H140 Cl8 N4 O16 P8 Pd4 S4 -","4","0.5","","Smith, Martin B.; Dale, Sophie H.; Coles, Simon J.; Gelbrich, Thomas; Hursthouse, Michael B.; Light, Mark E.; Horton, Peter N.","Hydrogen bonded supramolecular assemblies based on neutral square-planar palladium(ii) complexes","CrystEngComm","2007","9","2","165","","10.1039/b616337h","","","0.71073","MoKα","","0.1096","0.0784","","","0.2041","0.2292","","","","","","1.028","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202612","7.7901","0.0003","10.8098","0.0004","23.0523","0.0009","90","","90","","90","","1941.22","0.13","123","2","123","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(R)-4-(2,3-dihydroxypropoxy) benzoic acid","","- C10 H12 O5 -","- C10 H12 O5 -","- C80 H96 O40 -","8","2","","Andrews, Philip C.; Forsyth, Craig M.; Fraser, Benjamin H.; Junk, Peter C.; Massi, Massimiliano; Silberstein, Morry","Diol-functionalised benzoates as novel linkers for the formation of coordination polymers","CrystEngComm","2007","9","4","282","","10.1039/b616939b","","","0.71073","MoKα","","0.0422","0.0409","","","0.113","0.1151","","","","","","1.11","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202613","11.2283","0.0003","12.835","0.0003","13.7238","0.0004","66.37","0.001","88.669","0.001","65.326","0.001","1621.68","0.08","123","2","123","2","","","","","","","","4","P 1","P 1","1","","Lanthanum (R)-4-(2,3-dihydroxypropoxy) benzoate","","- C60 H80 La2 O37 -","- C60 H80 La2 O37 -","- C60 H80 La2 O37 -","1","1","","Andrews, Philip C.; Forsyth, Craig M.; Fraser, Benjamin H.; Junk, Peter C.; Massi, Massimiliano; Silberstein, Morry","Diol-functionalised benzoates as novel linkers for the formation of coordination polymers","CrystEngComm","2007","9","4","282","","10.1039/b616939b","","","0.71073","MoKα","","0.0167","0.0163","","","0.0401","0.0403","","","","","","1.048","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202614","15.748","0.003","15.748","0.003","12.706","0.003","90","","90","","90","","3151.1","1.1","293","2","293","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C36 H30 Cl2 N2 O2 Zn -","- C36 H30 Cl2 N2 O2 Zn -","- C144 H120 Cl8 N8 O8 Zn4 -","4","0.5","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro","Unusual hydrogen bonded (OH)4 tetrahedral nests organize zinc(ii) coordination complexes in a non covalent diamondoid network","CrystEngComm","2007","9","4","313","","10.1039/b616955d","","","0.71073","MoKα","","0.1184","0.0518","","","0.1017","0.1235","","","","","","0.862","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202615","15.94","0.001","15.94","0.001","12.604","0.008","90","","90","","90","","3202","2","293","2","293","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C36 H30 Br2 N2 O2 Zn -","- C36 H30 Br2 N2 O2 Zn -","- C144 H120 Br8 N8 O8 Zn4 -","4","0.5","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro","Unusual hydrogen bonded (OH)4 tetrahedral nests organize zinc(ii) coordination complexes in a non covalent diamondoid network","CrystEngComm","2007","9","4","313","","10.1039/b616955d","","","0.71073","MoKα","","0.0237","0.0194","","","0.0404","0.0415","","","","","","0.924","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202616","21.923","0.001","21.923","0.001","14.7289","0.0008","90","","90","","90","","7079","0.6","293","2","293","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C36 H30 I2 N2 O2 Zn -","- C36 H30 I2 N2 O2 Zn -","- C288 H240 I16 N16 O16 Zn8 -","8","0.5","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro","Unusual hydrogen bonded (OH)4 tetrahedral nests organize zinc(ii) coordination complexes in a non covalent diamondoid network","CrystEngComm","2007","9","4","313","","10.1039/b616955d","","","0.71073","MoKα","","0.1051","0.0989","","","0.2787","0.2922","","","","","","1.403","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202617","10.3597","0.0004","15.645","0.0005","16.562","0.0007","99.984","0.002","103.52","0.0019","101.54","0.002","2487.96","0.17","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C53 H85 N O6 -","- C53 H85 N O6 -","- C106 H170 N2 O12 -","2","1","","Edwin C. Constable; Marc Häusler; B. A. Hermann; Catherine E. Housecroft; Markus Neuburger; Silvia Schaffner; Lukas J. Scherer","Self-assembled monolayers as two-dimensional crystals: relationship to three-dimensional crystals","CrystEngComm","2007","9","2","176","","10.1039/b616968f","","","0.71073","MoKα","","0.1549","0.0766","","0.1172","0.0761","0.0761","","","","","","1.122","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202618","10.4631","0.0002","15.6769","0.0004","16.462","0.0005","100.759","0.0014","104.014","0.0014","101.721","0.0016","2484.93","0.11","173","","173","","","","","","","","","3","P -1","-P 1","2","","","","- C53 H82 O7 -","- C53 H82 O7 -","- C106 H164 O14 -","2","1","","Edwin C. Constable; Marc Häusler; B. A. Hermann; Catherine E. Housecroft; Markus Neuburger; Silvia Schaffner; Lukas J. Scherer","Self-assembled monolayers as two-dimensional crystals: relationship to three-dimensional crystals","CrystEngComm","2007","9","2","176","","10.1039/b616968f","","","0.71073","MoKα","","0.0729","0.0687","","0.0795","0.0763","0.0763","","","","","","1.0842","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202619","3.6579","0.0001","11.0577","0.0004","21.5478","0.001","90","","93.02","0.001","90","","870.35","0.06","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H9 N O6 -","- C7 H9 N O6 -","- C28 H36 N4 O24 -","4","1","","Grossel, Martin C.; Dwyer, Andrew N.; Hursthouse, Michael B.; Orton, James B.","Solid-state assemblies from pyridine-2,6-dicarboxylates: ?changing the instruction set through hydration?","CrystEngComm","2007","9","3","207","","10.1039/b617051j","","","0.71073","MoKα","","0.0929","0.0466","","","0.0927","0.1119","","","","","","1.013","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202620","5.1793","0.0002","9.476","0.0003","8.5004","0.0003","90","","94.289","0.002","90","","416.02","0.03","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H6 Cl N O5 -","- C7 H6 Cl N O5 -","- C14 H12 Cl2 N2 O10 -","2","1","","Grossel, Martin C.; Dwyer, Andrew N.; Hursthouse, Michael B.; Orton, James B.","Solid-state assemblies from pyridine-2,6-dicarboxylates: ?changing the instruction set through hydration?","CrystEngComm","2007","9","3","207","","10.1039/b617051j","","","0.71073","MoKα","","0.0316","0.0294","","","0.0717","0.0735","","","","","","1.063","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202621","11.954","0.002","12.521","0.002","11.888","0.002","90","","95.68","0.01","90","","1770.6","0.5","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C8 H28 Bi I9 N4 S4 -","- C8 H28 Bi I9 N4 S4 -","- C16 H56 Bi2 I18 N8 S8 -","2","0.25","","Wenhua Bi; Nicolas Louvain; Nicolas Mercier; Jerôme Luc; Bouchta Sahraoui","Type structure, which is composed of organic diammonium, triiodide and hexaiodobismuthate, varies according to different structures of incorporated cations","CrystEngComm","2007","9","4","298","","10.1039/b617178h","","x-ray","0.71073","MoKα","","","0.0409","","","","0.1085","","","","","","1.125","","","","has coordinates,has disorder","180357","2020-10-21","18:00:00",""
"7202622","23.45","0.005","12.724","0.003","12.401","0.003","90","","108.45","0.03","90","","3510","1.5","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C8 H29 Bi I9 N4 O0.5 S4 -","- C8 H28 Bi I9 N4 O0.5 S4 -","- C32 H112 Bi4 I36 N16 O2 S16 -","4","1","","Wenhua Bi; Nicolas Louvain; Nicolas Mercier; Jerôme Luc; Bouchta Sahraoui","Type structure, which is composed of organic diammonium, triiodide and hexaiodobismuthate, varies according to different structures of incorporated cations","CrystEngComm","2007","9","4","298","","10.1039/b617178h","","x-ray","0.71073","MoKα","","","0.0485","","","","0.1198","","","","","","1.073","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7202623","8.5276","0.0017","10.405","0.002","17.504","0.004","77.92","0.03","87.39","0.03","85.29","0.03","1513","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H30 Bi I8 N4 O -","- C8 H27.97 Bi I8 N4 O -","- C16 H55.94 Bi2 I16 N8 O2 -","2","1","","Wenhua Bi; Nicolas Louvain; Nicolas Mercier; Jerôme Luc; Bouchta Sahraoui","Type structure, which is composed of organic diammonium, triiodide and hexaiodobismuthate, varies according to different structures of incorporated cations","CrystEngComm","2007","9","4","298","","10.1039/b617178h","","x-ray","0.71073","MoKα","","","0.0434","","","","0.0943","","","","","","1.026","","","","has coordinates,has disorder","180357","2020-10-21","18:00:00",""
"7202624","11.792","0.002","12.737","0.002","21.908","0.003","90","","94.29","0.01","90","","3281.2","0.9","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C32 H67 Bi I12 N4 O9 -","- C32 H60 Bi I12 N4 O9 -","- C64 H120 Bi2 I24 N8 O18 -","2","0.25","","Wenhua Bi; Nicolas Louvain; Nicolas Mercier; Jerôme Luc; Bouchta Sahraoui","Type structure, which is composed of organic diammonium, triiodide and hexaiodobismuthate, varies according to different structures of incorporated cations","CrystEngComm","2007","9","4","298","","10.1039/b617178h","","x-ray","0.71073","MoKα","","0.0593","0.0385","","","0.0833","0.0892","","","","","","1.095","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202625","18.459","0.013","10.458","0.007","13.063","0.01","90","","102.552","0.011","90","","2461","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","terephthalato-bisaquo-1,2-bis(4-pirydyl)ethane-cobalt(ii) hydrated","terephthalato-bisaquo-1,2-bis(4-pirydyl)ethane-cobalt(II) hydrated","","- C20 H25 Co N2 O8.5 -","- C20 H20 Co N2 O8.5 -","- C80 H80 Co4 N8 O34 -","4","1","","Manna, Subal Chandra; Okamoto, Ken-ichi; Zangrando, Ennio; Chaudhuri, Nirmalendu Ray","Stabilization of the 2D inclined interpenetrated net of {[Co(bpe)(tp)(H2O)2]n by replacement of lattice water molecules with appropriate solvent","CrystEngComm","2007","9","3","199","","10.1039/b617277f","","","0.71073","MoKα","","0.0558","0.0468","","","0.1414","0.1632","","","","","","1.016","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202626","19.887","0.004","10.574","0.004","11.876","0.003","90","","110.79","0.02","90","","2334.7","1.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","terephthalato-bisaquo-1,2-bis(4-pyridyl)ethane-cobalt(ii) glycolethylene solvated","terephthalato-bisaquo-1,2-bis(4-pyridyl)ethane-cobalt(II) glycolethylene solvated","","- C22 H26 Co N2 O8 -","- C22 H26 Co N2 O8 -","- C88 H104 Co4 N8 O32 -","4","0.5","","Manna, Subal Chandra; Okamoto, Ken-ichi; Zangrando, Ennio; Chaudhuri, Nirmalendu Ray","Stabilization of the 2D inclined interpenetrated net of {[Co(bpe)(tp)(H2O)2]n by replacement of lattice water molecules with appropriate solvent","CrystEngComm","2007","9","3","199","","10.1039/b617277f","","","0.71073","Mokα","","0.0659","0.0417","","","0.1133","0.1228","","","","","","0.983","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202629","21.019","0.006","11.483","0.003","19.949","0.006","90","","119.92","0.003","90","","4173","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H42 N4 O11 Zn2 -","- C42 H42 N4 O11 Zn2 -","- C168 H168 N16 O44 Zn8 -","4","0.5","","Chen, Shu-Mei; Zhang, Jian; Lu, Can-Zhong","One-pot synthesis of two isomeric zinc complexes with unusual polycatenation motifs","CrystEngComm","2007","9","5","390","","10.1039/b617362d","","","0.71073","MoKα","","","0.0448","","","0.1208","0.1254","","","","","","1.015","","","","has coordinates,has disorder","180357","2020-10-21","18:00:00",""
"7202630","10.497","0.003","14.594","0.004","19.106","0.005","89.927","0.008","83.212","0.007","73.564","0.004","2786","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H44 N4 O16 Zn4 -","- C58 H44 N4 O16 Zn4 -","- C116 H88 N8 O32 Zn8 -","2","1","","Chen, Shu-Mei; Zhang, Jian; Lu, Can-Zhong","One-pot synthesis of two isomeric zinc complexes with unusual polycatenation motifs","CrystEngComm","2007","9","5","390","","10.1039/b617362d","","","0.71073","MoKα","","0.1112","0.0575","","","0.1326","0.1627","","","","","","0.993","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202636","10.0092","0.0006","11.2895","0.0007","15.5109","0.0008","98.9","0.04","102.04","0.05","104","0.05","1623.9","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H52 N2 O4 -","- C34 H52 N2 O4 -","- C68 H104 N4 O8 -","2","1","","Jiménez, Claudio A.; Belmar, Julio B.; Delgado, Fernando S.; Julve, Miguel; Ruiz-Pérez, Catalina","Structural changes in the crystal packing of highly hindered symmetrical vicinal bis-amides","CrystEngComm","2007","9","9","746","","10.1039/b617605d","","","0.71073","MoKα","","0.132","0.0645","","","0.147","0.1752","","","","","","1.033","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202637","23.029","0.004","25.201","0.005","12.087","0.003","90","","90","","90","","7015","3","293","2","293","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C35 H54 N2 O4 -","- C35 H54 N2 O4 -","- C280 H432 N16 O32 -","8","1","","Jiménez, Claudio A.; Belmar, Julio B.; Delgado, Fernando S.; Julve, Miguel; Ruiz-Pérez, Catalina","Structural changes in the crystal packing of highly hindered symmetrical vicinal bis-amides","CrystEngComm","2007","9","9","746","","10.1039/b617605d","","","0.71073","MoKα","","0.087","0.0463","","","0.0854","0.0979","","","","","","1.04","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202640","27.098","0.004","47.336","0.008","6.933","0.007","90","","90","","90","","8893","9","296","2","296","2","","","","","","","","5","F d d 2","F 2 -2d","43","Bis(bis(pentafluorobenzoyl)methane)copper(ii)","Bis[bis(pentafluorobenzoyl)methane]copper(II)","","- C48 H20 Cu F20 O4 -","- C48 H20 Cu F20 O4 -","- C384 H160 Cu8 F160 O32 -","8","0.5","","Hori, Akiko; Arii, Tadashi","Cation?? and arene?perfluoroarene interactions between Cu(ii) fluorine-substituted ?-diketonate complex and benzenes","CrystEngComm","2007","9","3","215","","10.1039/b617808a","","","0.71069","MoKα","","0.0472","0.0318","","","0.0865","0.0945","","","","","","1.017","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202645","12.4391","0.0006","12.72","0.0005","13.2986","0.0006","90","","114.955","0.001","90","","1907.73","0.15","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Trans dihydroxy (5,10,15,20-tetrakis(4-pyridyl)porphrynato) tin(IV) tetra hydrate","Trans dihydroxy (5,10,15,20-tetrakis(4-pyridyl)porphrynato) tin(IV) tetra hydrate","","- C40 H42 N8 O10 Sn -","- C40 H42 N8 O10 Sn -","- C80 H84 N16 O20 Sn2 -","2","0.5","","Langford, Steven J.; Woodward, Clint P.","Supramolecular self-assembly of dihydroxy tin(iv) porphyrin stabilized helical water chains","CrystEngComm","2007","9","3","218","","10.1039/b617911h","","","0.71073","MoKα","","0.0532","0.048","","","0.0963","0.0985","","","","","","1.248","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202646","7.5677","0.0004","16.7343","0.0006","11.6003","0.0003","90","","90","","90","","1469.06","0.1","130","2","130","2","","","","","","","","5","P b c n","-P 2n 2ab","60","2,4,6-trimethylpyridine pentafluoroiodobenzene","2,4,6-trimethylpyridine pentafluoroiodobenzene","","- C14 H11 F5 I N -","- C14 H11 F5 I N -","- C56 H44 F20 I4 N4 -","4","0.5","","Aleksandra Wasilewska; Maria Gdaniec; Tadeusz Połoński","Co-crystals of iodopentafluorobenzene with nitrogen donors: 2-D molecular assemblies through halogen bonding and aryl?perfluoroaryl interactions","CrystEngComm","2007","9","3","203","","10.1039/b617929k","","","0.71073","MoKα","","0.0268","0.0193","","","0.049","0.0514","","","","","","1.116","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202647","7.3936","0.0009","15.4467","0.0019","12.0105","0.0013","90","","90.881","0.01","90","","1371.5","0.3","130","2","130","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","2,6-dimethylpyridine pentafluoroiodobenzene 1/1 adduct","2,6-dimethylpyridine pentafluoroiodobenzene 1/1 adduct","","- C13 H9 F5 I N -","- C13 H9 F5 I N -","- C52 H36 F20 I4 N4 -","4","0.5","","Aleksandra Wasilewska; Maria Gdaniec; Tadeusz Połoński","Co-crystals of iodopentafluorobenzene with nitrogen donors: 2-D molecular assemblies through halogen bonding and aryl?perfluoroaryl interactions","CrystEngComm","2007","9","3","203","","10.1039/b617929k","","","0.71073","MoKα","","0.0212","0.0189","","","0.0447","0.0454","","","","","","1.051","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202648","7.2401","0.0008","15.1648","0.0014","12.9908","0.0012","90","","91.574","0.008","90","","1425.8","0.2","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","3,5-dimethlpyridine pentafluoroiodobenzene","3,5-dimethlpyridine pentafluoroiodobenzene","","- C13 H9 F5 I N -","- C13 H9 F5 I N -","- C52 H36 F20 I4 N4 -","4","0.5","","Aleksandra Wasilewska; Maria Gdaniec; Tadeusz Połoński","Co-crystals of iodopentafluorobenzene with nitrogen donors: 2-D molecular assemblies through halogen bonding and aryl?perfluoroaryl interactions","CrystEngComm","2007","9","3","203","","10.1039/b617929k","","","0.71073","MoKα","","0.0285","0.0264","","","0.0645","0.066","","","","","","1.079","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202649","7.2792","0.0005","12.9453","0.0007","15.2214","0.0011","90","","95.479","0.006","90","","1427.78","0.16","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","3,5-dimethylpyridine pentafluoroiodobenzene","3,5-dimethylpyridine pentafluoroiodobenzene","","- C13 H9 F5 I N -","- C13 H9 F5 I N -","- C52 H36 F20 I4 N4 -","4","1","","Aleksandra Wasilewska; Maria Gdaniec; Tadeusz Połoński","Co-crystals of iodopentafluorobenzene with nitrogen donors: 2-D molecular assemblies through halogen bonding and aryl?perfluoroaryl interactions","CrystEngComm","2007","9","3","203","","10.1039/b617929k","","","0.71073","MoKα","","0.0689","0.0667","","","0.1865","0.1881","","","","","","1.19","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202650","7.2888","0.0006","14.1251","0.0011","12.6561","0.0011","90","","95.502","0.007","90","","1297.01","0.19","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-methylpyridine pentafluoroiodobenzene","4-methylpyridine pentafluoroiodobenzene","","- C12 H7 F5 I N -","- C12 H7 F5 I N -","- C48 H28 F20 I4 N4 -","4","1","","Aleksandra Wasilewska; Maria Gdaniec; Tadeusz Połoński","Co-crystals of iodopentafluorobenzene with nitrogen donors: 2-D molecular assemblies through halogen bonding and aryl?perfluoroaryl interactions","CrystEngComm","2007","9","3","203","","10.1039/b617929k","","","0.71073","MoKα","","0.0307","0.0249","","","0.0601","0.0627","","","","","","1.064","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202651","22.877","0.01","8.045","0.003","10.222","0.004","90","","90","","90","","1881.3","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 Cu I N6 -","- C20 H16 Cu I N6 -","- C80 H64 Cu4 I4 N24 -","4","0.5","","Wang, Duo-Zhi; Liu, Chun-Sen; Li, Jian-Rong; Li, Lei; Zeng, Yong-Fei; Bu, Xian-He","New d10 metal?organic coordination polymers with 9,10-bis(triazol-1-ylmethyl)anthracene (L): Syntheses, crystal structures, and luminescent properties","CrystEngComm","2007","9","4","289","","10.1039/b618015a","","","0.71073","MoKα","","0.0984","0.0794","","","0.2102","0.2246","","","","","","1.049","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202652","23.858","0.005","5.2642","0.001","15.317","0.003","90","","90","","90","","1923.7","0.7","293","2","293","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C20 H16 Ag B F4 N6 O0 -","- C20 H16 Ag B F4 N6 -","- C80 H64 Ag4 B4 F16 N24 -","4","0.5","","Wang, Duo-Zhi; Liu, Chun-Sen; Li, Jian-Rong; Li, Lei; Zeng, Yong-Fei; Bu, Xian-He","New d10 metal?organic coordination polymers with 9,10-bis(triazol-1-ylmethyl)anthracene (L): Syntheses, crystal structures, and luminescent properties","CrystEngComm","2007","9","4","289","","10.1039/b618015a","","","0.71073","MoKα","","0.0805","0.0382","","","0.0861","0.1059","","","","","","0.98","","","","has coordinates,has disorder","180357","2020-10-21","18:00:00",""
"7202653","25.142","0.005","5.1544","0.001","15.608","0.003","90","","97.98","0.03","90","","2003.1","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 N8 O6 Zn -","- C20 H16 N8 O6 Zn -","- C80 H64 N32 O24 Zn4 -","4","0.5","","Wang, Duo-Zhi; Liu, Chun-Sen; Li, Jian-Rong; Li, Lei; Zeng, Yong-Fei; Bu, Xian-He","New d10 metal?organic coordination polymers with 9,10-bis(triazol-1-ylmethyl)anthracene (L): Syntheses, crystal structures, and luminescent properties","CrystEngComm","2007","9","4","289","","10.1039/b618015a","","","0.71073","MoKα","","0.04","0.036","","","0.0761","0.0783","","","","","","1.089","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202654","13.678","0.002","34.456","0.005","10.243","0.0015","90","","110.382","0.002","90","","4525.2","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H42 Cl2 N12 O11 Zn -","- C42 H42 Cl2 N12 O11 Zn -","- C168 H168 Cl8 N48 O44 Zn4 -","4","1","","Wang, Duo-Zhi; Liu, Chun-Sen; Li, Jian-Rong; Li, Lei; Zeng, Yong-Fei; Bu, Xian-He","New d10 metal?organic coordination polymers with 9,10-bis(triazol-1-ylmethyl)anthracene (L): Syntheses, crystal structures, and luminescent properties","CrystEngComm","2007","9","4","289","","10.1039/b618015a","","","0.71073","MoKα","","0.1298","0.0683","","","0.1597","0.1748","","","","","","1.067","","","","has coordinates,has disorder","180357","2020-10-21","18:00:00",""
"7202655","13.675","0.003","33.935","0.007","10.178","0.002","90","","110.05","0.03","90","","4437","1.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H42 Cd Cl2 N12 O11 -","- C42 H42 Cd Cl2 N12 O11 -","- C168 H168 Cd4 Cl8 N48 O44 -","4","1","","Wang, Duo-Zhi; Liu, Chun-Sen; Li, Jian-Rong; Li, Lei; Zeng, Yong-Fei; Bu, Xian-He","New d10 metal?organic coordination polymers with 9,10-bis(triazol-1-ylmethyl)anthracene (L): Syntheses, crystal structures, and luminescent properties","CrystEngComm","2007","9","4","289","","10.1039/b618015a","","","0.71073","MoKα","","0.1085","0.0952","","","0.2696","0.2874","","","","","","1.084","","","","has coordinates,has disorder","180357","2020-10-21","18:00:00",""
"7202656","24.236","0.005","5.1343","0.001","15.771","0.003","90","","94.68","0.03","90","","1955.9","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 Br2 Hg N6 -","- C20 H16 Br2 Hg N6 -","- C80 H64 Br8 Hg4 N24 -","4","0.5","","Wang, Duo-Zhi; Liu, Chun-Sen; Li, Jian-Rong; Li, Lei; Zeng, Yong-Fei; Bu, Xian-He","New d10 metal?organic coordination polymers with 9,10-bis(triazol-1-ylmethyl)anthracene (L): Syntheses, crystal structures, and luminescent properties","CrystEngComm","2007","9","4","289","","10.1039/b618015a","","","0.71073","MoKα","","0.0266","0.0252","","","0.065","0.0659","","","","","","1.145","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202661","12.475","0.005","8.656","0.005","8.75","0.005","90","","110.275","0.005","90","","886.3","0.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(cyclopropylammonium)tetraiodoplumbate(ii)","bis(cyclopropylammonium)tetraiodoplumbate(II)","","- C6 H16 I4 N2 Pb -","- C6 H16 I4 N2 Pb -","- C12 H32 I8 N4 Pb2 -","2","0.5","","Billing, David G.; Lemmerer, Andreas","Inorganic?organic hybrid materials incorporating primary cyclic ammonium cations: The lead iodide series","CrystEngComm","2007","9","3","236","","10.1039/b618196a","","","0.71069","MoKα","","0.0652","0.0386","","","0.094","0.1034","","","","","","1.042","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202662","13.355","0.003","8.356","0.0017","9.0583","0.0018","90","","107.747","0.004","90","","962.8","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(cyclobutylammonium)tetraiodoplumbate(ii)","bis(cyclobutylammonium)tetraiodoplumbate(II)","","- C8 H20 I4 N2 Pb -","- C8 H20 I4 N2 Pb -","- C16 H40 I8 N4 Pb2 -","2","0.5","","Billing, David G.; Lemmerer, Andreas","Inorganic?organic hybrid materials incorporating primary cyclic ammonium cations: The lead iodide series","CrystEngComm","2007","9","3","236","","10.1039/b618196a","","","0.71073","MoKα","","0.0347","0.0264","","","0.0554","0.0573","","","","","","0.985","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202663","14","0.02","8.928","0.014","8.949","0.015","90","","108.57","0.04","90","","1060","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(cyclopentylammonium)tetraiodoplumbate(ii)","bis(cyclopentylammonium)tetraiodoplumbate(II)","","- C10 H24 I4 N2 Pb -","- C10 H24 I4 N2 Pb -","- C20 H48 I8 N4 Pb2 -","2","0.5","","Billing, David G.; Lemmerer, Andreas","Inorganic?organic hybrid materials incorporating primary cyclic ammonium cations: The lead iodide series","CrystEngComm","2007","9","3","236","","10.1039/b618196a","","","0.71073","MoKα","","0.1012","0.093","","","0.2339","0.261","","","","","","1.045","","","","has coordinates,has disorder","180357","2020-10-21","18:00:00",""
"7202664","9.1677","0.0015","8.7335","0.0014","27.276","0.005","90","","90","","90","","2183.9","0.6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","bis(cyclohexylammonium)tetraiodoplumbate(ii)","bis(cyclohexylammonium)tetraiodoplumbate(II)","","- C12 H28 I4 N2 Pb -","- C12 H28 I4 N2 Pb -","- C48 H112 I16 N8 Pb4 -","4","0.5","","Billing, David G.; Lemmerer, Andreas","Inorganic?organic hybrid materials incorporating primary cyclic ammonium cations: The lead iodide series","CrystEngComm","2007","9","3","236","","10.1039/b618196a","","","0.71073","MoKα","","0.0511","0.0315","","","0.069","0.0749","","","","","","1.052","","","","has coordinates,has disorder","180357","2020-10-21","18:00:00",""
"7202665","34.587","0.005","8.7821","0.0012","26.662","0.003","90","","124.255","0.002","90","","6693.7","1.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","tris(cycloheptylammonium)pentaiodoplumbate(ii)","tris(cycloheptylammonium)pentaiodoplumbate(II)","","- C21 H48 I5 N3 Pb -","- C21 H48 I5 N3 Pb -","- C168 H384 I40 N24 Pb8 -","8","1","","Billing, David G.; Lemmerer, Andreas","Inorganic?organic hybrid materials incorporating primary cyclic ammonium cations: The lead iodide series","CrystEngComm","2007","9","3","236","","10.1039/b618196a","","","0.71073","MoKα","","0.0452","0.0351","","","0.0828","0.087","","","","","","1.063","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202666","7.9889","0.0012","8.6291","0.0013","22.455","0.003","90","","90","","90","","1548","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(cyclooctylammonium)triiodoplumbate(ii)","(cyclooctylammonium)triiodoplumbate(II)","","- C8 H18 I3 N Pb -","- C8 H18 I3 N Pb -","- C32 H72 I12 N4 Pb4 -","4","1","","Billing, David G.; Lemmerer, Andreas","Inorganic?organic hybrid materials incorporating primary cyclic ammonium cations: The lead iodide series","CrystEngComm","2007","9","3","236","","10.1039/b618196a","","","0.71073","MoKα","","0.049","0.0423","","","0.0995","0.1019","","","","","","1.064","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202667","8.2675","0.0016","11.014","0.002","11.281","0.002","77.077","0.003","84.154","0.003","70.74","0.003","944.7","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H14 N O8 Zn -","- C22 H14 N O8 Zn -","- C44 H28 N2 O16 Zn2 -","2","1","","Duan, Xianying; Li, Yizhi; Su, Yang; Zang, Shuangquan; Zhu, Chengjian; Meng, Qingjin","Syntheses and solid state structures of hybrid d10 metal‒organic frameworks based on methylenediisophthalic acid (H4MDIP)","CrystEngComm","2007","9","9","758","","10.1039/b618613k","","","0.71073","MoKα","","0.0517","0.0396","","","0.0908","0.0957","","","","","","0.967","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202668","18.694","0.004","12.899","0.004","12.535","0.003","90","","108.991","0.007","90","","2858.1","1.3","278","2","278","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H48 N8 O18 Zn4 -","- C62 H48 N8 O18 Zn4 -","- C124 H96 N16 O36 Zn8 -","2","0.25","","Duan, Xianying; Li, Yizhi; Su, Yang; Zang, Shuangquan; Zhu, Chengjian; Meng, Qingjin","Syntheses and solid state structures of hybrid d10 metal‒organic frameworks based on methylenediisophthalic acid (H4MDIP)","CrystEngComm","2007","9","9","758","","10.1039/b618613k","","","0.71073","MoKα","","0.0708","0.0542","","","0.1295","0.1359","","","","","","1.062","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202669","7.3409","0.0016","10.135","0.002","11.966","0.003","75.521","0.003","75.762","0.004","74.716","0.003","815.9","0.3","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H26 Cd2 O19 -","- C34 H26 Cd2 O19 -","- C34 H26 Cd2 O19 -","1","0.5","","Duan, Xianying; Li, Yizhi; Su, Yang; Zang, Shuangquan; Zhu, Chengjian; Meng, Qingjin","Syntheses and solid state structures of hybrid d10 metal‒organic frameworks based on methylenediisophthalic acid (H4MDIP)","CrystEngComm","2007","9","9","758","","10.1039/b618613k","","","0.71073","MoKα","","0.0774","0.0598","","","0.1178","0.1209","","","","","","1.072","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202670","18.277","0.003","9.8838","0.0018","15.724","0.003","90","","102.463","0.001","90","","2773.5","0.9","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H36 Cd2 N4 O14 -","- C21 H36 Cd2 N4 O14 -","- C84 H144 Cd8 N16 O56 -","4","0.5","","Duan, Xianying; Li, Yizhi; Su, Yang; Zang, Shuangquan; Zhu, Chengjian; Meng, Qingjin","Syntheses and solid state structures of hybrid d10 metal‒organic frameworks based on methylenediisophthalic acid (H4MDIP)","CrystEngComm","2007","9","9","758","","10.1039/b618613k","","","0.71073","MoKα","","0.0679","0.0481","","","0.108","0.114","","","","","","0.994","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202671","8.6677","0.0007","13.1873","0.0011","12.1442","0.001","90","","93.983","0.002","90","","1384.8","0.2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 Br4 N2 O4 Pd -","- C22 H32 Br4 N2 O4 Pd -","- C44 H64 Br8 N4 O8 Pd2 -","2","0.5","","Neve, Francesco; Crispini, Alessandra","Competitive interactions in carboxy-functionalized pyridinium salts: crossover from O‒H⋯O to O‒H⋯X‒M contacts","CrystEngComm","2007","9","8","698","","10.1039/b618696c","","","0.71073","MoKα","","0.0251","0.0211","","","0.0491","0.0509","","","","","","1.051","","","","has coordinates,has disorder","180357","2020-10-21","18:00:00",""
"7202672","7.7977","0.0009","8.3354","0.001","19.246","0.002","97.599","0.002","92.545","0.002","104.395","0.002","1197.1","0.2","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H72 Br4 N2 O4 Pd -","- C42 H72 Br4 N2 O4 Pd -","- C42 H72 Br4 N2 O4 Pd -","1","0.5","","Neve, Francesco; Crispini, Alessandra","Competitive interactions in carboxy-functionalized pyridinium salts: crossover from O‒H⋯O to O‒H⋯X‒M contacts","CrystEngComm","2007","9","8","698","","10.1039/b618696c","","","0.71073","MoKα","","0.0484","0.0348","","","0.083","0.0868","","","","","","0.957","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202673","14.636","0.003","17.062","0.003","25.079","0.004","76.787","0.01","85.972","0.012","64.566","0.009","5503.2","1.8","143","2","143","2","","","","","","","","4","P -1","-P 1","2","3S (aminopyridyl)ethynylcavitand, NO22PhCOOH","3S (aminopyridyl)ethynylcavitand, NO22PhCOOH","","- C114 H106.1 N18.45 O32.55 -","- C114 H106.1 N18.45 O32.55 -","- C228 H212.2 N36.9 O65.1 -","2","1","","Christer Aakeröy; Nate Schultheiss; John Desper","Synthesis and hydrogen-bond capabilities of an amino-pyridine functionalized cavitand","CrystEngComm","2007","9","3","211","","10.1039/b618728e","","","0.71073","MoKα","","0.3967","0.1084","","","0.2468","0.3484","","","","","","0.762","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7202674","12.7783","0.0009","24.5634","0.0018","29.317","0.002","90","","90","","90","","9202","1.1","85","2","85","2","","","","","","","","4","P n m a","-P 2ac 2n","62","NS6S (6-amino-3-pyridyl)ethynyl cavitand, glutaric acid","NS6S (6-amino-3-pyridyl)ethynyl cavitand, glutaric acid","","- C101.6 H111 N9 O16 -","- C102.1 H111.598 N9 O16 -","- C408.4 H446.392 N36 O64 -","4","0.5","","Christer Aakeröy; Nate Schultheiss; John Desper","Synthesis and hydrogen-bond capabilities of an amino-pyridine functionalized cavitand","CrystEngComm","2007","9","3","211","","10.1039/b618728e","","","0.71073","MoKα","","0.1589","0.0945","","","0.2654","0.3114","","","","","","1.02","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7202683","7.475","0.002","11.848","0.003","12.856","0.003","90","","103.12","0.03","90","","1108.9","0.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","brucinium bromide dihydrate","","- C23 H31 Br N2 O6 -","- C23 H31 Br N2 O6 -","- C46 H62 Br2 N4 O12 -","2","1","","Agata Białońska; Zbigniew Ciunik","Intermolecular hinge?a new function of the C?H?? hydrogen bond","CrystEngComm","2007","9","7","570","","10.1039/b700211d","","","0.71073","MoKα","","0.078","0.0409","","","0.0703","0.0774","","","","","","0.847","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202684","21.1635","0.0016","5.6554","0.0004","16.5577","0.0013","90","","114.797","0.007","90","","1799","0.3","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","2,3,4,5,6-pentafluorophenol 2,3,4,5,6-pentafluoroaniline 2:1 adduct","","- C18 H4 F15 N O2 -","- C18 H4 F15 N O2 -","- C72 H16 F60 N4 O8 -","4","1","","Gdaniec, Maria","On the polymorphs of pentafluorophenol and its 2?:?1 co-crystal with pentafluoroaniline","CrystEngComm","2007","9","4","286","","10.1039/b700245a","","","0.71073","MoKα","","0.0431","0.0313","","","0.0573","0.0608","","","","","","0.95","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202685","5.1398","0.0009","19.0901","0.0016","19.152","0.0015","90","","90","","90","","1879.2","0.4","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,3,4,5,6-pentafluorophenol","","- C6 H F5 O -","- C6 H F5 O -","- C72 H12 F60 O12 -","12","3","","Gdaniec, Maria","On the polymorphs of pentafluorophenol and its 2?:?1 co-crystal with pentafluoroaniline","CrystEngComm","2007","9","4","286","","10.1039/b700245a","","","0.71073","MoKα","","0.0695","0.049","","","0.0929","0.1012","","","","","","1.035","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202686","12.938","0.003","4.8572","0.0013","10.01","0.002","90","","106.55","0.02","90","","603","0.3","130","1","130","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,3,4,5,6-pentafluorophenol","","- C6 H F5 O -","- C6 H F5 O -","- C24 H4 F20 O4 -","4","1","","Gdaniec, Maria","On the polymorphs of pentafluorophenol and its 2?:?1 co-crystal with pentafluoroaniline","CrystEngComm","2007","9","4","286","","10.1039/b700245a","","","0.71073","MoKα","","0.0667","0.0505","","","0.1359","0.1505","","","","","","1.104","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202687","12.0266","0.0005","10.2443","0.0004","4.9988","0.0002","90","","90","","90","","615.87","0.04","100","2","100","2","","","","","","","","5","P m n 21","P 2ac -2","31","1-(4-pyridyl)-2-(2,3,5,6-F4-4-I-phenyl)ethene","1-(4-pyridyl)-2-(2,3,5,6-F4-4-I-phenyl)ethene","","- C13 H6 F4 I N -","- C13 H6 F4 I N1.434 -","- C26 H12 F8 I2 N2.868 -","2","0.5","","Christer B. Aakeröy; Nate Schultheiss; John Desper; Curtis Moore","Attempted assembly of discrete coordination complexes into 1-D chains using halogen bonding or halogen?halogen interactions","CrystEngComm","2007","9","5","421","","10.1039/b700286f","","","0.71073","MoKα","","0.0505","0.038","","","0.0695","0.0737","","","","","","0.997","","","","has coordinates,has disorder","180357","2020-10-21","18:00:00",""
"7202688","8.9889","0.0003","9.0836","0.0003","12.9622","0.0005","88.061","0.002","86.489","0.002","67.894","0.002","978.67","0.06","100","2","100","2","","","","","","","","7","P -1","-P 1","2","N7 Cu(F6-acac)2 (1-(4-pyridyl)-2-(2,3,5,6-F4-4-Br- phenyl)ethene)2","N7 Cu(F6-acac)2 [1-(4-pyridyl)-2-(2,3,5,6-F4-4-Br-phenyl)ethene]2","","- C36 H14 Br2 Cu F20 N2 O4 -","- C36 H14 Br2 Cu F20 N2 O4 -","- C36 H14 Br2 Cu F20 N2 O4 -","1","0.5","","Christer B. Aakeröy; Nate Schultheiss; John Desper; Curtis Moore","Attempted assembly of discrete coordination complexes into 1-D chains using halogen bonding or halogen?halogen interactions","CrystEngComm","2007","9","5","421","","10.1039/b700286f","","","0.71073","MoKα","","0.0535","0.0332","","","0.0793","0.0886","","","","","","1.019","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202689","8.9245","0.0004","9.0077","0.0003","13.0921","0.0005","86.37","0.002","86.442","0.002","70.214","0.002","987.42","0.07","100","2","100","2","","","","","","","","7","P -1","-P 1","2","NSBrCo Co(F6-acac)2 (1-(4-pyridyl)-2-(2,3,5,6-F4-4-Br- phenyl)ethene)2","NSBrCo Co(F6-acac)2 [1-(4-pyridyl)-2-(2,3,5,6-F4-4-Br-phenyl)ethene]2","","- C36 H14 Br2 Co F20 N2 O4 -","- C36.004 H14 Br2 Co F20.012 N2 O4 -","- C36.004 H14 Br2 Co F20.012 N2 O4 -","1","0.5","","Christer B. Aakeröy; Nate Schultheiss; John Desper; Curtis Moore","Attempted assembly of discrete coordination complexes into 1-D chains using halogen bonding or halogen?halogen interactions","CrystEngComm","2007","9","5","421","","10.1039/b700286f","","","0.71073","MoKα","","0.0562","0.0354","","","0.0795","0.0874","","","","","","1.027","","","","has coordinates,has disorder","180357","2020-10-21","18:00:00",""
"7202690","9.0352","0.0004","9.0357","0.0004","13.2174","0.0006","87.447","0.002","88.53","0.002","69.506","0.002","1009.7","0.08","100","2","100","2","","","","","","","","7","P -1","-P 1","2","N3 Cu(F6-acac)2 (1-(4-pyridyl)-2-(2,3,5,6-F4-4-I- phenyl)ethene)2","N3 Cu(F6-acac)2 [1-(4-pyridyl)-2-(2,3,5,6-F4-4-I-phenyl)ethene]2","","- C36 H14 Cu F20 I2 N2 O4 -","- C36 H14 Cu F20 I2 N2 O4 -","- C36 H14 Cu F20 I2 N2 O4 -","1","0.5","","Christer B. Aakeröy; Nate Schultheiss; John Desper; Curtis Moore","Attempted assembly of discrete coordination complexes into 1-D chains using halogen bonding or halogen?halogen interactions","CrystEngComm","2007","9","5","421","","10.1039/b700286f","","","0.71073","MoKα","","0.047","0.0327","","","0.0716","0.0784","","","","","","1.031","","","","has coordinates,has disorder","180357","2020-10-21","18:00:00",""
"7202691","9.9628","0.0006","10.6131","0.0007","12.7053","0.0008","114.135","0.001","98.032","0.001","92.76","0.001","1205.68","0.13","223","2","223","2","","","","","","","","8","P -1","-P 1","2","","","","- C46 H48 Au2 Cl4 N2 O2 P2 S2 -","- C46 H48 Au2 Cl4 N2 O2 P2 S2 -","- C46 H48 Au2 Cl4 N2 O2 P2 S2 -","1","0.5","","Ho, Soo Yei; Tiekink, Edward R. T.","Supramolecular aggregation patterns in the crystal structures of the dinuclear phosphinegold(i) thiolates, [(Ph2P(CH2)4PPh2){AuSC(OR)?NC6H4Y-4}2] for R = Me, Et or iPr and Y = H, NO2 or Me: the influence on intermolecular interactions exerted by R and Y","CrystEngComm","2007","9","5","368","","10.1039/b700295e","","","0.71069","MoKα","","0.031","0.027","","","0.057","0.059","","","","","","1","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202692","8.4818","0.0006","11.9828","0.0008","12.1684","0.0008","105.973","0.001","99.485","0.001","106.821","0.001","1097.24","0.13","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H48 Au2 N2 O2 P2 S2 -","- C46 H48 Au2 N2 O2 P2 S2 -","- C46 H48 Au2 N2 O2 P2 S2 -","1","0.5","","Ho, Soo Yei; Tiekink, Edward R. T.","Supramolecular aggregation patterns in the crystal structures of the dinuclear phosphinegold(i) thiolates, [(Ph2P(CH2)4PPh2){AuSC(OR)?NC6H4Y-4}2] for R = Me, Et or iPr and Y = H, NO2 or Me: the influence on intermolecular interactions exerted by R and Y","CrystEngComm","2007","9","5","368","","10.1039/b700295e","","","0.71069","MoKα","","0.038","0.035","","","0.089","0.09","","","","","","1.16","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202693","8.9734","0.0012","10.5472","0.0014","25.098","0.003","90","","92.957","0.003","90","","2372.2","0.5","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H52 Au2 N2 O2 P2 S2 -","- C48 H52 Au2 N2 O2 P2 S2 -","- C96 H104 Au4 N4 O4 P4 S4 -","2","0.5","","Ho, Soo Yei; Tiekink, Edward R. T.","Supramolecular aggregation patterns in the crystal structures of the dinuclear phosphinegold(i) thiolates, [(Ph2P(CH2)4PPh2){AuSC(OR)?NC6H4Y-4}2] for R = Me, Et or iPr and Y = H, NO2 or Me: the influence on intermolecular interactions exerted by R and Y","CrystEngComm","2007","9","5","368","","10.1039/b700295e","","","0.71069","MoKα","","0.048","0.033","","","0.071","0.077","","","","","","1.02","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202694","9.2907","0.0005","11.4082","0.0006","12.0751","0.0006","115.352","0.001","91.155","0.001","90.652","0.001","1156.07","0.1","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H46 Au2 N4 O6 P2 S2 -","- C46 H46 Au2 N4 O6 P2 S2 -","- C46 H46 Au2 N4 O6 P2 S2 -","1","0.5","","Ho, Soo Yei; Tiekink, Edward R. T.","Supramolecular aggregation patterns in the crystal structures of the dinuclear phosphinegold(i) thiolates, [(Ph2P(CH2)4PPh2){AuSC(OR)?NC6H4Y-4}2] for R = Me, Et or iPr and Y = H, NO2 or Me: the influence on intermolecular interactions exerted by R and Y","CrystEngComm","2007","9","5","368","","10.1039/b700295e","","","0.71069","MoKα","","0.03","0.027","","","0.063","0.064","","","","","","1","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202695","8.872","0.002","12.31","0.003","12.717","0.003","104.028","0.005","90.272","0.005","107.186","0.005","1282.9","0.5","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H54 Au2 N4 O7 P2 S2 -","- C49 H50 Au2 N4 O7 P2 S2 -","- C49 H50 Au2 N4 O7 P2 S2 -","1","0.5","","Ho, Soo Yei; Tiekink, Edward R. T.","Supramolecular aggregation patterns in the crystal structures of the dinuclear phosphinegold(i) thiolates, [(Ph2P(CH2)4PPh2){AuSC(OR)?NC6H4Y-4}2] for R = Me, Et or iPr and Y = H, NO2 or Me: the influence on intermolecular interactions exerted by R and Y","CrystEngComm","2007","9","5","368","","10.1039/b700295e","","","0.71069","MoKα","","0.096","0.048","","","0.113","0.136","","","","","","1.01","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202696","13.8791","0.001","13.3279","0.001","26.1381","0.0019","90","","104.601","0.002","90","","4678.9","0.6","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C46 H52 Au2 N2 O4 P2 S2 -","- C46 H48 Au2 N2 O4 P2 S2 -","- C184 H192 Au8 N8 O16 P8 S8 -","4","0.5","","Ho, Soo Yei; Tiekink, Edward R. T.","Supramolecular aggregation patterns in the crystal structures of the dinuclear phosphinegold(i) thiolates, [(Ph2P(CH2)4PPh2){AuSC(OR)?NC6H4Y-4}2] for R = Me, Et or iPr and Y = H, NO2 or Me: the influence on intermolecular interactions exerted by R and Y","CrystEngComm","2007","9","5","368","","10.1039/b700295e","","","0.71069","MoKα","","0.062","0.042","","","0.118","0.125","","","","","","1.07","","","","has coordinates,has disorder","180357","2020-10-21","18:00:00",""
"7202697","9.2316","0.0019","10.341","0.002","24.703","0.005","90","","99.062","0.005","90","","2328.8","0.8","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H52 Au2 N2 O2 P2 S2 -","- C48 H52 Au2 N2 O2 P2 S2 -","- C96 H104 Au4 N4 O4 P4 S4 -","2","0.5","","Ho, Soo Yei; Tiekink, Edward R. T.","Supramolecular aggregation patterns in the crystal structures of the dinuclear phosphinegold(i) thiolates, [(Ph2P(CH2)4PPh2){AuSC(OR)?NC6H4Y-4}2] for R = Me, Et or iPr and Y = H, NO2 or Me: the influence on intermolecular interactions exerted by R and Y","CrystEngComm","2007","9","5","368","","10.1039/b700295e","","","0.71069","MoKα","","0.054","0.037","","","0.082","0.097","","","","","","1.04","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202698","9.3315","0.0011","10.3035","0.0012","24.665","0.003","90","","95.074","0.003","90","","2362.2","0.5","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H56 Au2 N2 O2 P2 S2 -","- C50 H56 Au2 N2 O2 P2 S2 -","- C100 H112 Au4 N4 O4 P4 S4 -","2","0.5","","Ho, Soo Yei; Tiekink, Edward R. T.","Supramolecular aggregation patterns in the crystal structures of the dinuclear phosphinegold(i) thiolates, [(Ph2P(CH2)4PPh2){AuSC(OR)?NC6H4Y-4}2] for R = Me, Et or iPr and Y = H, NO2 or Me: the influence on intermolecular interactions exerted by R and Y","CrystEngComm","2007","9","5","368","","10.1039/b700295e","","","0.71069","MoKα","","0.054","0.039","","","0.087","0.092","","","","","","1.03","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202700","7.8386","0.001","12.791","0.003","13.187","0.002","90","","99.17","0.011","90","","1305.3","0.4","295","","295","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 O6 -","- C14 H14 O6 -","- C56 H56 O24 -","4","1","","Marcel Bouvet; Bernard Malézieux; Patrick Herson; Françoise Villain","Self-organization of the 2-methoxyquinhydrone charge transfer complex in polar planes","CrystEngComm","2007","9","4","270","","10.1039/b700652g","","","0.71073","MoKα","","0.2296","0.0675","","0.1282","0.057","0.057","","","","","","1.0526","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202701","4.9678","0.0007","10.533","0.004","13.094","0.002","90","","91.194","0.013","90","","685","0.3","295","","295","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C7 H8 O3 -","- C7 H8 O3 -","- C28 H32 O12 -","4","1","","Marcel Bouvet; Bernard Malézieux; Patrick Herson; Françoise Villain","Self-organization of the 2-methoxyquinhydrone charge transfer complex in polar planes","CrystEngComm","2007","9","4","270","","10.1039/b700652g","","","0.71073","MoKα","","0.0706","0.0473","","0.0756","0.0595","0.0595","","","","","","1.0549","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202702","12.2204","0.0002","12.5113","0.0002","13.5098","0.0002","69.946","0.001","87.21","0.001","68.896","0.001","1803.58","0.05","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H50 N4 O9 -","- C34 H50 N4 O9 -","- C68 H100 N8 O18 -","2","1","","Karmakar, Anirban; Sarma, Rupam J.; Baruah, Jubaraj B.","Structural aspects and properties of salt and inclusion compounds of 8-hydroxyquinoline based amides","CrystEngComm","2007","9","5","379","","10.1039/b700701a","","","0.71073","MoKα","","0.1046","0.069","","","0.2015","0.2305","","","","","","1.064","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202703","20.7294","0.0019","7.8139","0.0007","22.774","0.002","90","","104.081","0.002","90","","3578","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 N3 O5 -","- C19 H19 N3 O5 -","- C152 H152 N24 O40 -","8","2","","Karmakar, Anirban; Sarma, Rupam J.; Baruah, Jubaraj B.","Structural aspects and properties of salt and inclusion compounds of 8-hydroxyquinoline based amides","CrystEngComm","2007","9","5","379","","10.1039/b700701a","","","0.71073","MoKα","","0.1887","0.0958","","","0.1779","0.2165","","","","","","1.041","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202704","11.19","0.0002","11.3769","0.0002","17.1563","0.0004","80.895","0.001","76.141","0.001","65.615","0.001","1927.02","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H40 N4 O13 S2 -","- C38 H40 N4 O13 S2 -","- C76 H80 N8 O26 S4 -","2","1","","Karmakar, Anirban; Sarma, Rupam J.; Baruah, Jubaraj B.","Structural aspects and properties of salt and inclusion compounds of 8-hydroxyquinoline based amides","CrystEngComm","2007","9","5","379","","10.1039/b700701a","","","0.71073","MoKα","","0.0812","0.0634","","","0.1673","0.1846","","","","","","1.042","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202705","11.4032","0.0005","11.4631","0.0005","15.0226","0.0007","80.782","0.003","72.286","0.003","68.221","0.003","1734.59","0.14","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H38 N4 O5 -","- C38 H38 N4 O5 -","- C76 H76 N8 O10 -","2","1","","Karmakar, Anirban; Sarma, Rupam J.; Baruah, Jubaraj B.","Structural aspects and properties of salt and inclusion compounds of 8-hydroxyquinoline based amides","CrystEngComm","2007","9","5","379","","10.1039/b700701a","","","0.71073","MoKα","","0.1814","0.0688","","","0.1241","0.1641","","","","","","0.984","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202706","7.528","0.002","11.516","0.003","12.334","0.003","114.29","0.004","99.137","0.004","96.136","0.004","944.5","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H42 N4 O6 -","- C44 H42 N4 O6 -","- C44 H42 N4 O6 -","1","0.5","","Karmakar, Anirban; Sarma, Rupam J.; Baruah, Jubaraj B.","Structural aspects and properties of salt and inclusion compounds of 8-hydroxyquinoline based amides","CrystEngComm","2007","9","5","379","","10.1039/b700701a","","","0.71073","MoKα","","0.0768","0.0456","","","0.136","0.1604","","","","","","0.99","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202707","8.1869","0.0002","10.402","0.0002","13.6322","0.0003","111.239","0.002","93.668","0.002","105.441","0.002","1026.25","0.04","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H22 N2 O3 -","- C24 H22 N2 O3 -","- C48 H44 N4 O6 -","2","1","","Karmakar, Anirban; Sarma, Rupam J.; Baruah, Jubaraj B.","Structural aspects and properties of salt and inclusion compounds of 8-hydroxyquinoline based amides","CrystEngComm","2007","9","5","379","","10.1039/b700701a","","","0.71073","MoKα","","0.0581","0.0437","","","0.1082","0.12","","","","","","1.021","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202708","5.1139","0.0001","13.4807","0.0003","24.8362","0.0005","90","","90","","90","","1712.18","0.06","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 N2 O3 -","- C20 H20 N2 O3 -","- C80 H80 N8 O12 -","4","1","","Karmakar, Anirban; Sarma, Rupam J.; Baruah, Jubaraj B.","Structural aspects and properties of salt and inclusion compounds of 8-hydroxyquinoline based amides","CrystEngComm","2007","9","5","379","","10.1039/b700701a","","","0.71073","MoKα","","0.1171","0.0501","","","0.0852","0.1036","","","","","","0.989","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202709","9.4877","0.0015","12.6863","0.0019","14.832","0.002","90","","90","","90","","1785.2","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 N2 O3 -","- C19 H20 N2 O3 -","- C76 H80 N8 O12 -","4","1","","Karmakar, Anirban; Sarma, Rupam J.; Baruah, Jubaraj B.","Structural aspects and properties of salt and inclusion compounds of 8-hydroxyquinoline based amides","CrystEngComm","2007","9","5","379","","10.1039/b700701a","","","0.71073","MoKα","","0.1017","0.0481","","","0.1248","0.1545","","","","","","0.931","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202711","8.8927","0.0006","22.5574","0.0015","22.7642","0.0015","90","","95.59","0.002","90","","4544.7","0.5","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(La(BA)3(DMSO))n","","","- C23 H21 La O7 S -","- C23.0005 H21 La O7 S -","- C184.004 H168 La8 O56 S8 -","8","2","","Hendrik Bußkamp; Glen B. Deacon; Matthias Hilder; Peter C. Junk; Ulrich H. Kynast; Winnie W. Lee; David R. Turner","Structural variations in rare earth benzoate complexes : Part I. Lanthanum","CrystEngComm","2007","9","5","394","","10.1039/b700980a","","","0.71073","MoKα","","0.1096","0.1055","","","0.2212","0.2228","","","","","","1.437","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7202712","13.537","0.0003","15.4019","0.0004","17.2256","0.0004","69.58","0.001","73.354","0.001","71.91","0.001","3134.8","0.13","123","2","123","2","","","","","","","","5","P -1","-P 1","2","poly(tris(dimethylformamide)hexakis(3-nitrobenzoato)bis- lanthanum (iii)) DMF/H2O solvate","poly[tris(dimethylformamide)hexakis(3-nitrobenzoato)bis-lanthanum (III)] DMF/H2O solvate","","- C54 H58 La2 N10 O29 -","- C54 H58 La2 N10 O29 -","- C108 H116 La4 N20 O58 -","2","1","","Hendrik Bußkamp; Glen B. Deacon; Matthias Hilder; Peter C. Junk; Ulrich H. Kynast; Winnie W. Lee; David R. Turner","Structural variations in rare earth benzoate complexes : Part I. Lanthanum","CrystEngComm","2007","9","5","394","","10.1039/b700980a","","","0.71073","MoKα","","0.0333","0.0294","","","0.0654","0.0671","","","","","","1.135","","","","has coordinates,has disorder","180358","2020-10-21","18:00:00",""
"7202713","16.4013","0.001","9.6954","0.0005","20.2097","0.0011","90","","108.461","0.002","90","","3048.3","0.3","123","1","123","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","poly((aqua)(dimethylsulphoxide)tris(4- nitrobenzoato)lanthanum(iii)) DMSO solvate","poly[(aqua)(dimethylsulphoxide)tris(4-nitrobenzoato)lanthanum(III)] DMSO solvate","","- C25 H26 La N3 O15 S2 -","- C25 H26 La N3 O15 S2 -","- C100 H104 La4 N12 O60 S8 -","4","1","","Hendrik Bußkamp; Glen B. Deacon; Matthias Hilder; Peter C. Junk; Ulrich H. Kynast; Winnie W. Lee; David R. Turner","Structural variations in rare earth benzoate complexes : Part I. Lanthanum","CrystEngComm","2007","9","5","394","","10.1039/b700980a","","","0.71073","MoKα","","0.0859","0.0511","","","0.0812","0.0988","","","","","","0.989","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202714","9.6514","0.0004","21.4458","0.0005","15.9922","0.0003","90","","95.028","0.001","90","","3297.36","0.17","123","1","123","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","poly((aqua)(dimethylsulphoxide)tris(3- methoxybenzoato)lanthanum (iii)), DMSO solvate.","poly[(aqua)(dimethylsulphoxide)tris(3-methoxybenzoato)lanthanum (III)], DMSO solvate.","","- C28 H35 La O12 S2 -","- C28 H35 La O12 S2 -","- C112 H140 La4 O48 S8 -","4","1","","Hendrik Bußkamp; Glen B. Deacon; Matthias Hilder; Peter C. Junk; Ulrich H. Kynast; Winnie W. Lee; David R. Turner","Structural variations in rare earth benzoate complexes : Part I. Lanthanum","CrystEngComm","2007","9","5","394","","10.1039/b700980a","","","0.71073","MoKα","","0.0632","0.0365","","","0.0785","0.0881","","","","","","1.018","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7202715","9.6002","0.0002","11.3814","0.0002","14.8606","0.0003","95.295","0.001","101.131","0.001","95.719","0.001","1574.87","0.05","123","1","123","1","","","","","","","","5","P -1","-P 1","2","HB18DMSO","","","- C29 H35 La O14 S -","- C29 H35 La O14 S -","- C58 H70 La2 O28 S2 -","2","1","","Hendrik Bußkamp; Glen B. Deacon; Matthias Hilder; Peter C. Junk; Ulrich H. Kynast; Winnie W. Lee; David R. Turner","Structural variations in rare earth benzoate complexes : Part I. Lanthanum","CrystEngComm","2007","9","5","394","","10.1039/b700980a","","","0.71073","MoKα","","0.023","0.0218","","","0.0516","0.0525","","","","","","1.031","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7202716","9.633","0.0003","10.038","0.0003","32.5121","0.0008","86.171","0.001","89.509","0.001","75.716","0.001","3039.7","0.15","123","2","123","2","","","","","","","","5","P -1","-P 1","2","poly((bis(aqua)bis(dimethylsulphoxide)hexa(4-methoxybenzoato) dilanthanum).DMSO.H2O)","poly{[bis(aqua)bis(dimethylsulphoxide)hexa(4-methoxybenzoato) dilanthanum].DMSO.H2O}","","- C54 H66 La2 O24 S3 -","- C54 H64 La2 O24 S3 -","- C108 H128 La4 O48 S6 -","2","1","","Hendrik Bußkamp; Glen B. Deacon; Matthias Hilder; Peter C. Junk; Ulrich H. Kynast; Winnie W. Lee; David R. Turner","Structural variations in rare earth benzoate complexes : Part I. Lanthanum","CrystEngComm","2007","9","5","394","","10.1039/b700980a","","","0.71073","MoKα","","0.0834","0.0465","","","0.1022","0.1172","","","","","","1.023","","","","has coordinates,has disorder","180358","2020-10-21","18:00:00",""
"7202717","11.5323","0.0002","33.7471","0.0006","9.5791","0.0003","90","","104.326","0.001","90","","3612.08","0.15","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","((aqua)(dimethylformamide)tris(4- ethoxybenzoato)lanthanum(iii))","[(aqua)(dimethylformamide)tris(4-ethoxybenzoato)lanthanum(III)]","","- C33 H43 La N2 O12 -","- C33 H43 La N2 O12 -","- C132 H172 La4 N8 O48 -","4","1","","Hendrik Bußkamp; Glen B. Deacon; Matthias Hilder; Peter C. Junk; Ulrich H. Kynast; Winnie W. Lee; David R. Turner","Structural variations in rare earth benzoate complexes : Part I. Lanthanum","CrystEngComm","2007","9","5","394","","10.1039/b700980a","","","0.71073","MoKα","","0.083","0.0371","","","0.0798","0.0939","","","","","","0.959","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202718","20.0604","0.0003","17.4169","0.0002","23.1887","0.0003","90","","114.945","0.001","90","","7346.1","0.18","123","1","123","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","((La3(BA)9(DMF)3).DMF)n","","","- C75 H73 La3 N4 O22 -","- C75 H73 La3 N4 O22 -","- C300 H292 La12 N16 O88 -","4","1","","Hendrik Bußkamp; Glen B. Deacon; Matthias Hilder; Peter C. Junk; Ulrich H. Kynast; Winnie W. Lee; David R. Turner","Structural variations in rare earth benzoate complexes : Part I. Lanthanum","CrystEngComm","2007","9","5","394","","10.1039/b700980a","","","0.71073","MoKα","","0.0663","0.0396","","","0.0788","0.0863","","","","","","1.024","","","","has coordinates,has disorder","180358","2020-10-21","18:00:00",""
"7202719","15.4745","0.0001","21.8201","0.0002","22.9482","0.0002","90","","106.962","0.001","90","","7411.5","0.11","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(La3(2-MeBA)9(DMF)2)n","","","- C78 H74 La3 N2 O20 -","- C78 H77 La3 N2 O20 -","- C312 H308 La12 N8 O80 -","4","1","","Hendrik Bußkamp; Glen B. Deacon; Matthias Hilder; Peter C. Junk; Ulrich H. Kynast; Winnie W. Lee; David R. Turner","Structural variations in rare earth benzoate complexes : Part I. Lanthanum","CrystEngComm","2007","9","5","394","","10.1039/b700980a","","","0.71073","MoKα","","0.0621","0.0458","","","0.0838","0.0881","","","","","","1.167","","","","has coordinates,has disorder","180358","2020-10-21","18:00:00",""
"7202720","9.6022","0.0002","9.9801","0.0002","16.1375","0.0003","106.171","0.001","94.743","0.001","101.49","0.001","1439.75","0.05","123","1","123","1","","","","","","","","5","P -1","-P 1","2","poly((aqua)(dimethylsulphoxide)tris(3- methylbenzoato)lanthanum(iii)) water solvate","poly[(aqua)(dimethylsulphoxide)tris(3-methylbenzoato)lanthanum(III)] water solvate","","- C26 H31 La O9 S -","- C26 H31 La O9 S -","- C52 H62 La2 O18 S2 -","2","1","","Hendrik Bußkamp; Glen B. Deacon; Matthias Hilder; Peter C. Junk; Ulrich H. Kynast; Winnie W. Lee; David R. Turner","Structural variations in rare earth benzoate complexes : Part I. Lanthanum","CrystEngComm","2007","9","5","394","","10.1039/b700980a","","","0.71073","MoKα","","0.0464","0.0345","","","0.0736","0.0774","","","","","","1.053","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202721","8.2424","0.0003","12.3545","0.0006","16.3741","0.0009","79.625","0.003","87.983","0.003","82.373","0.003","1625.51","0.13","123","1","123","1","","","","","","","","4","P -1","-P 1","2","poly(tris(3-methylbenzoato)(3-methylbenzoic acid)lanthanum(iii)) 3-methylbenzoic acid solvate","poly[tris(3-methylbenzoato)(3-methylbenzoic acid)lanthanum(III)] 3- methylbenzoic acid solvate","","- C36 H33 La O9 -","- C36 H32.5 La O9 -","- C72 H65 La2 O18 -","2","1","","Hendrik Bußkamp; Glen B. Deacon; Matthias Hilder; Peter C. Junk; Ulrich H. Kynast; Winnie W. Lee; David R. Turner","Structural variations in rare earth benzoate complexes : Part I. Lanthanum","CrystEngComm","2007","9","5","394","","10.1039/b700980a","","","0.71073","MoKα","","0.1288","0.0959","","","0.2267","0.2566","","","","","","1.056","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202722","25.5545","0.0002","19.5508","0.0002","16.9228","0.0002","90","","118.495","0.001","90","","7430.59","0.15","123","1","123","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","bis(bis(dimethylsulphoxide)tris(2,4,6- trimethylbenzoato)lanthanum (iii))","bis[bis(dimethylsulphoxide)tris(2,4,6-trimethylbenzoato)lanthanum (III)]","","- C68 H90 La2 O16 S4 -","- C68 H90 La2 O16 S4 -","- C272 H360 La8 O64 S16 -","4","0.5","","Hendrik Bußkamp; Glen B. Deacon; Matthias Hilder; Peter C. Junk; Ulrich H. Kynast; Winnie W. Lee; David R. Turner","Structural variations in rare earth benzoate complexes : Part I. Lanthanum","CrystEngComm","2007","9","5","394","","10.1039/b700980a","","","0.71073","MoKα","","0.087","0.045","","","0.1004","0.1136","","","","","","1.039","","","","has coordinates,has disorder","180358","2020-10-21","18:00:00",""
"7202723","22.1543","0.0018","16.1425","0.0013","9.6019","0.0007","90","","93.077","0.003","90","","3428.9","0.5","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","poly((dimethylsulphoxide)tris(4-tert- butylbenzoato)lanthanum(iii))","poly[(dimethylsulphoxide)tris(4-tert-butylbenzoato)lanthanum(III)]","","- C35 H45 La O7 S -","- C35 H45 La O7 S -","- C140 H180 La4 O28 S4 -","4","1","","Hendrik Bußkamp; Glen B. Deacon; Matthias Hilder; Peter C. Junk; Ulrich H. Kynast; Winnie W. Lee; David R. Turner","Structural variations in rare earth benzoate complexes : Part I. Lanthanum","CrystEngComm","2007","9","5","394","","10.1039/b700980a","","","0.71073","MoKα","","0.1913","0.1868","","","0.4019","0.404","","","","","","1.272","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202724","24.9553","0.0011","8.0474","0.0003","30.679","0.0013","90","","90","","90","","6161.1","0.4","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","poly((dimethylformamide)tris(2- aminomethylbenzoato)lanthanum(iii)) DMF solvate","poly[(dimethylformamide)tris(2-aminomethylbenzoato)lanthanum(III)] DMF solvate","","- C30 H38 La N5 O8 -","- C30 H38 La N5 O8 -","- C240 H304 La8 N40 O64 -","8","1","","Hendrik Bußkamp; Glen B. Deacon; Matthias Hilder; Peter C. Junk; Ulrich H. Kynast; Winnie W. Lee; David R. Turner","Structural variations in rare earth benzoate complexes : Part I. Lanthanum","CrystEngComm","2007","9","5","394","","10.1039/b700980a","","","0.71073","MoKα","","0.149","0.1324","","","0.2328","0.2389","","","","","","1.468","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202725","9.9777","0.0001","13.9145","0.0002","13.9532","0.0002","70.295","0.001","82.314","0.001","75.908","0.001","1766.03","0.04","123","1","123","1","","","","","","","","6","P -1","-P 1","2","poly((aqua)(dimethylsulphoxide)tris(3- nitrobenzoato)lanthanum(iii)) bis DMSO solvate","poly[(aqua)(dimethylsulphoxide)tris(3-nitrobenzoato)lanthanum(III)] bis DMSO solvate","","- C27 H32 La N3 O16 S3 -","- C26.996 H32 La N3 O16 S3 -","- C53.992 H64 La2 N6 O32 S6 -","2","1","","Hendrik Bußkamp; Glen B. Deacon; Matthias Hilder; Peter C. Junk; Ulrich H. Kynast; Winnie W. Lee; David R. Turner","Structural variations in rare earth benzoate complexes : Part I. Lanthanum","CrystEngComm","2007","9","5","394","","10.1039/b700980a","","","0.71073","MoKα","","0.037","0.0277","","","0.0593","0.0626","","","","","","1.029","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7202730","17.028","0.004","16.175","0.004","33.771","0.007","90","","100.799","0.004","90","","9137","4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C80 H84 Cl4 Co2 N24 O24 -","- C80 H84 Cl4 Co2 N24 O24 -","- C320 H336 Cl16 Co8 N96 O96 -","4","1","","Krishnan, Subhashree Mallika; Patel, Niral M.; Knapp, Warren R.; Supkowski, Ronald M.; LaDuca, Robert L.","Oxoanion and cation effects on the structural morphology of coordination polymers incorporating a kinked organodiimine tethering ligand","CrystEngComm","2007","9","6","503","","10.1039/b701102d","","","0.71073","MoKα","","0.1027","0.0617","","","0.1545","0.1828","","","","","","1.033","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202731","16.992","0.003","15.164","0.003","17.489","0.003","90","","90","","90","","4506.3","1.4","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H20 Co N6 O7 S -","- C20 H20 Co N6 O7 S -","- C160 H160 Co8 N48 O56 S8 -","8","1","","Krishnan, Subhashree Mallika; Patel, Niral M.; Knapp, Warren R.; Supkowski, Ronald M.; LaDuca, Robert L.","Oxoanion and cation effects on the structural morphology of coordination polymers incorporating a kinked organodiimine tethering ligand","CrystEngComm","2007","9","6","503","","10.1039/b701102d","","","0.71073","MoKα","","0.1085","0.0692","","","0.1518","0.1715","","","","","","1.113","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202732","24","0.02","15.522","0.016","16.523","0.017","90","","133.517","0.003","90","","4464","7","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C40 H40 Co2 N16 O14 -","- C40 H40 Co2 N16 O14 -","- C160 H160 Co8 N64 O56 -","4","1","","Krishnan, Subhashree Mallika; Patel, Niral M.; Knapp, Warren R.; Supkowski, Ronald M.; LaDuca, Robert L.","Oxoanion and cation effects on the structural morphology of coordination polymers incorporating a kinked organodiimine tethering ligand","CrystEngComm","2007","9","6","503","","10.1039/b701102d","","","0.71073","MoKα","","0.0659","0.0545","","","0.1183","0.1229","","","","","","1.094","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202733","10.5491","0.0016","14.136","0.002","16.082","0.003","87.483","0.003","86.253","0.003","89.096","0.003","2390.5","0.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H42 Cd Cl2 N12 O12 -","- C40 H42 Cd Cl2 N12 O12 -","- C80 H84 Cd2 Cl4 N24 O24 -","2","1","","Krishnan, Subhashree Mallika; Patel, Niral M.; Knapp, Warren R.; Supkowski, Ronald M.; LaDuca, Robert L.","Oxoanion and cation effects on the structural morphology of coordination polymers incorporating a kinked organodiimine tethering ligand","CrystEngComm","2007","9","6","503","","10.1039/b701102d","","","0.71073","MoKα","","0.1581","0.0543","","","0.0996","0.1366","","","","","","1.002","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202734","25.284","0.0003","25.284","0.0003","12.1961","0.0003","90","","90","","120","","6752.2","0.2","173","2","173","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C93 H97 Cu3 N9 O26 -","- C93 H87 Cu3 N9 O21 -","- C279 H261 Cu9 N27 O63 -","3","0.333333","","Jeong, Kyung Seok; Kim, Sun Young; Oh, Youjin; Min, Dong Won; Kim, Jaheon; Jeong, Nakcheol","A chiral trianglular coordination complex derived from (S,S)-1,2-dimethoxy-di-4-(2?-carboxyl-5?-pyridyl)phenyl ethane and Cu(ii) by self-assembly","CrystEngComm","2007","9","4","273","","10.1039/b701121k","","","0.71073","MoKα","","0.0984","0.059","","","0.1464","0.1598","","","","","","1.039","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202735","20.8688","0.0006","18.5411","0.0005","9.8944","0.0003","90","","94.905","0.001","90","","3814.42","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 Cd2 N10 S6 -","- C34 H30 Cd2 N10 S6 -","- C136 H120 Cd8 N40 S24 -","4","1","","Lai, Long-Li; Wu, Chun-Han; Lu, Kuang-Lieh; Wen, Yu-Shen; Liu, Yi-Hung; Wang, Yu; Cheng, Kung-Lung; Soldatov, Dmitriy V.; Yu, Zhi; Yu, Kui","Polypseudorotaxane architecture of poly-bis[4-(N-benzyl- pyridinium)]piperazine-hexa-thiocyanato-di-cadmium(ii) with 2-D honeycomb-like [Cd(SCN)3]nn? anionic polymeric framework","CrystEngComm","2007","9","5","345","","10.1039/b701229b","","","0.71073","MoKα","","0.0219","0.0169","","","0.0419","0.0429","","","","","","1.139","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202736","41.046","0.0008","4.5649","0.0005","7.978","0.004","90","","90","0.002","90","","1494.8","0.8","295","2","295","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C30 H34 N6 O2 S2 -","- C30 H34 N6 O2 S2 -","- C60 H68 N12 O4 S4 -","2","0.25","","Lai, Long-Li; Wu, Chun-Han; Lu, Kuang-Lieh; Wen, Yu-Shen; Liu, Yi-Hung; Wang, Yu; Cheng, Kung-Lung; Soldatov, Dmitriy V.; Yu, Zhi; Yu, Kui","Polypseudorotaxane architecture of poly-bis[4-(N-benzyl- pyridinium)]piperazine-hexa-thiocyanato-di-cadmium(ii) with 2-D honeycomb-like [Cd(SCN)3]nn? anionic polymeric framework","CrystEngComm","2007","9","5","345","","10.1039/b701229b","","","0.71073","MoKα","","0.1038","0.0764","","","0.2074","0.2333","","","","","","1.115","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202737","6.7781","0.0009","13.5566","0.0018","26.631","0.004","90","","90","","90","","2447.1","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","1-methyl-4-(2-(9-ethyl carbazol-3-yl)vinyl)pyridinium tosylate","1-methyl-4-[2-(9-ethyl carbazol-3-yl)vinyl]pyridinium tosylate","","- C29 H28 N2 O3 S -","- C29 H28 N2 O3 S -","- C116 H112 N8 O12 S4 -","4","1","","Gu, Jie; Chen, Wei-Qiang; Wada, Tatsuo; Hashizume, Daisuke; Duan, Xuan-Ming","From supermolecular sheet to helix by breaking molecular symmetry: the case of 4-[2-(carbazol-3-yl)vinyl] pyridium tosylate","CrystEngComm","2007","9","7","541","","10.1039/b701377a","","","0.71073","MoKα","","0.0731","0.0419","","","0.0942","0.1066","","","","","","1.047","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202738","14.569","0.004","25.121","0.007","6.7399","0.0019","90","","96.743","0.005","90","","2449.7","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N-methyl-4-(2-(9-methyl carbazol-3-yl)vinyl)pyridinium 2- methyl-5-nitro benzenesulfonate","N-methyl-4-[2-(9-methyl carbazol-3-yl)vinyl]pyridinium 2-methyl-5-nitro benzenesulfonate","","- C28 H25 N3 O5 S -","- C28 H25 N3 O5 S -","- C112 H100 N12 O20 S4 -","4","1","","Gu, Jie; Chen, Wei-Qiang; Wada, Tatsuo; Hashizume, Daisuke; Duan, Xuan-Ming","From supermolecular sheet to helix by breaking molecular symmetry: the case of 4-[2-(carbazol-3-yl)vinyl] pyridium tosylate","CrystEngComm","2007","9","7","541","","10.1039/b701377a","","","0.71073","MoKα","","0.1072","0.0506","","","0.1049","0.1262","","","","","","1.008","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202739","6.6773","0.0006","14.0015","0.0015","24.593","0.002","90","","90","","90","","2299.3","0.4","110","","110","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","1-methyl-4-(2-(9-methyl carbazol-3-yl)vinyl)pyridinium tosylate","1-methyl-4-[2-(9-methyl carbazol-3-yl)vinyl]pyridinium tosylate","","- C28 H26 N2 O3 S -","- C28 H26 N2 O3 S -","- C112 H104 N8 O12 S4 -","4","1","","Gu, Jie; Chen, Wei-Qiang; Wada, Tatsuo; Hashizume, Daisuke; Duan, Xuan-Ming","From supermolecular sheet to helix by breaking molecular symmetry: the case of 4-[2-(carbazol-3-yl)vinyl] pyridium tosylate","CrystEngComm","2007","9","7","541","","10.1039/b701377a","","","0.71073","MoKα","","0.119","0.0628","","","0.0929","0.1077","","","","","","1.032","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202740","5.8976","0.0005","5.8184","0.0005","23.7875","0.0019","90","","90.573","0.001","90","","816.22","0.12","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H5 N O6 Zn -","- C7 H5 N O6 Zn -","- C28 H20 N4 O24 Zn4 -","4","1","","Wu, Wei-Ping; Wang, Yao-Yu; Wu, Ya-Pan; Liu, Jian-Qiang; Zeng, Xi-Rui; Shi, Qi-Zhen; Peng, Shie-Ming","Hydro(solvo)thermal synthesis, structures, luminescence of 2-D zinc(ii) and 1-D copper(ii) complexes constructed from pyridine-2,6-dicarboxylic acid N-oxide and decarboxylation of the ligand","CrystEngComm","2007","9","9","753","","10.1039/b701384a","","","0.71073","MoKα","","0.0524","0.0358","","","0.091","0.0958","","","","","","1.038","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202741","3.39","0.0007","12.59","0.003","12.17","0.002","90","","94.18","0.03","90","","518.04","0.19","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 Cu N2 O6 -","- C12 H8 Cu N2 O6 -","- C24 H16 Cu2 N4 O12 -","2","0.5","","Wu, Wei-Ping; Wang, Yao-Yu; Wu, Ya-Pan; Liu, Jian-Qiang; Zeng, Xi-Rui; Shi, Qi-Zhen; Peng, Shie-Ming","Hydro(solvo)thermal synthesis, structures, luminescence of 2-D zinc(ii) and 1-D copper(ii) complexes constructed from pyridine-2,6-dicarboxylic acid N-oxide and decarboxylation of the ligand","CrystEngComm","2007","9","9","753","","10.1039/b701384a","","","0.71073","MoKα","","0.0257","0.0238","","","0.073","0.0738","","","","","","1.045","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202743","24.016","0.003","7.4363","0.0006","11.1585","0.001","90","","97.587","0.012","90","","1975.4","0.3","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","Me4N+, [Ni(tfadt)2]-","","","- C12 H12 F6 N3 Ni S4 -","- C12 H12 F6 N3 Ni S4 -","- C48 H48 F24 N12 Ni4 S16 -","4","0.5","","Olivier Jeannin; Rodolphe Clérac; Marc Fourmigué","Trifluoromethyl order?disorder transition in nickel dithiolene uniform spin chains","CrystEngComm","2007","9","6","488","","10.1039/b701480e","","","0.71073","MoKα","","0.1059","0.0648","","","0.1766","0.1992","","","","","","0.993","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202744","7.6741","0.0006","18.8293","0.0019","16.2154","0.0019","90","","97.86","0.01","90","","2321.1","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Et4N+, [Ni(tfadt)2]-","","","- C16 H20 F6 N3 Ni S4 -","- C16 H8 F6 N3 Ni S4 -","- C64 H32 F24 N12 Ni4 S16 -","4","1","","Olivier Jeannin; Rodolphe Clérac; Marc Fourmigué","Trifluoromethyl order?disorder transition in nickel dithiolene uniform spin chains","CrystEngComm","2007","9","6","488","","10.1039/b701480e","","","0.71073","MoKα","","0.1336","0.0472","","","0.0999","0.1231","","","","","","0.795","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202745","16.384","0.003","7.7447","0.0015","19.192","0.004","90","","90","","90","","2435.3","0.8","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","Et4N+, Ni(tfadt)2-","","","- C16 H20 F6 N3 Ni S4 -","- C16 F6 N3 Ni S4 -","- C64 F24 N12 Ni4 S16 -","4","0.5","","Olivier Jeannin; Rodolphe Clérac; Marc Fourmigué","Trifluoromethyl order?disorder transition in nickel dithiolene uniform spin chains","CrystEngComm","2007","9","6","488","","10.1039/b701480e","","","0.71073","MoKα","","0.1686","0.0806","","","0.2238","0.2721","","","","","","0.793","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202746","8.141","0.0005","14.8045","0.001","9.7157","0.0006","90","","101.931","0.001","90","","1145.67","0.13","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H15 N O S -","- C11 H15 N O S -","- C44 H60 N4 O4 S4 -","4","1","","Kuan, Fong Sheen; Mohr, Fabian; Tadbuppa, Primjira P.; Tiekink, Edward R. T.","Principles of crystal packing in O-isopropyl-N-aryl-thiocarbamides: iPrOC(?S)N(H)C6H4-4-Y: Y = H, Cl, and Me","CrystEngComm","2007","9","7","574","","10.1039/b701489a","","","0.71069","MoKα","","0.087","0.064","","","0.153","0.166","","","","","","1.03","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202747","8.105","0.0008","10.9411","0.001","11.9874","0.0012","90","","90.821","0.002","90","","1062.9","0.18","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H13 N O S -","- C10 H13 N O S -","- C40 H52 N4 O4 S4 -","4","1","","Kuan, Fong Sheen; Mohr, Fabian; Tadbuppa, Primjira P.; Tiekink, Edward R. T.","Principles of crystal packing in O-isopropyl-N-aryl-thiocarbamides: iPrOC(?S)N(H)C6H4-4-Y: Y = H, Cl, and Me","CrystEngComm","2007","9","7","574","","10.1039/b701489a","","","0.71069","MoKα","","0.067","0.052","","","0.13","0.139","","","","","","1.04","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202748","7.1307","0.0006","19.8847","0.0017","8.2842","0.0006","90","","99.827","0.001","90","","1157.4","0.16","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 Cl N O S -","- C10 H12 Cl N O S -","- C40 H48 Cl4 N4 O4 S4 -","4","1","","Kuan, Fong Sheen; Mohr, Fabian; Tadbuppa, Primjira P.; Tiekink, Edward R. T.","Principles of crystal packing in O-isopropyl-N-aryl-thiocarbamides: iPrOC(?S)N(H)C6H4-4-Y: Y = H, Cl, and Me","CrystEngComm","2007","9","7","574","","10.1039/b701489a","","","0.71069","MoKα","","0.059","0.044","","","0.113","0.121","","","","","","1.05","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202749","16.017","0.004","10.324","0.003","12.342","0.003","90","","104.048","0.005","90","","1979.8","0.9","293","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H18 N4 -","- C28 H18 N4 -","- C112 H72 N16 -","4","1","","Li, Lei; Hu, Tong-Liang; Li, Jian-Rong; Wang, Duo-Zhi; Zeng, Yong-Fei; Bu, Xian-He","Metal?organic coordination architectures of 9,10-bis(N-benzimidazolyl)anthracene: syntheses, structures and emission properties","CrystEngComm","2007","9","5","412","","10.1039/b701551h","","","0.71073","MoKα","","0.1249","0.0476","","","0.0933","0.1214","","","","","","0.979","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202750","10.177","0.002","11.855","0.002","13.009","0.003","100.42","0.03","100.3","0.03","115.33","0.03","1336","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H20 Cl3 Cu I N4 O0.5 -","- C29 H18 Cl3 Cu I N4 O0.5 -","- C58 H36 Cl6 Cu2 I2 N8 O -","2","1","","Li, Lei; Hu, Tong-Liang; Li, Jian-Rong; Wang, Duo-Zhi; Zeng, Yong-Fei; Bu, Xian-He","Metal?organic coordination architectures of 9,10-bis(N-benzimidazolyl)anthracene: syntheses, structures and emission properties","CrystEngComm","2007","9","5","412","","10.1039/b701551h","","","0.71073","MoKα","","0.0835","0.0646","","","0.1598","0.1783","","","","","","1.058","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7202751","17.163","0.01","15.442","0.009","12.133","0.007","90","","113.534","0.008","90","","2948","3","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C64 H56 Cd N10 O10 -","- C64 H56 Cd N10 O10 -","- C128 H112 Cd2 N20 O20 -","2","0.25","","Li, Lei; Hu, Tong-Liang; Li, Jian-Rong; Wang, Duo-Zhi; Zeng, Yong-Fei; Bu, Xian-He","Metal?organic coordination architectures of 9,10-bis(N-benzimidazolyl)anthracene: syntheses, structures and emission properties","CrystEngComm","2007","9","5","412","","10.1039/b701551h","","","0.71073","MoKα","","0.0562","0.0471","","","0.132","0.1423","","","","","","1.033","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202752","8.302","0.002","25.713","0.007","9.153","0.003","90","","102.842","0.005","90","","1905","0.9","294","2","294","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C31 H21 Ag B Cl9 F4 N4 O0 -","- C31 H21 Ag B Cl9 F4 N4 -","- C62 H42 Ag2 B2 Cl18 F8 N8 -","2","0.5","","Li, Lei; Hu, Tong-Liang; Li, Jian-Rong; Wang, Duo-Zhi; Zeng, Yong-Fei; Bu, Xian-He","Metal?organic coordination architectures of 9,10-bis(N-benzimidazolyl)anthracene: syntheses, structures and emission properties","CrystEngComm","2007","9","5","412","","10.1039/b701551h","","","0.71073","MoKα","","0.1659","0.0938","","","0.2454","0.2899","","","","","","1.05","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202753","23.438","0.005","16.481","0.003","7.9237","0.0016","90","","93.64","0.03","90","","3054.6","1.1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H20 Ag Cl6 N5 O3 -","- C30 H20 Ag Cl6 N5 O3 -","- C120 H80 Ag4 Cl24 N20 O12 -","4","0.5","","Li, Lei; Hu, Tong-Liang; Li, Jian-Rong; Wang, Duo-Zhi; Zeng, Yong-Fei; Bu, Xian-He","Metal?organic coordination architectures of 9,10-bis(N-benzimidazolyl)anthracene: syntheses, structures and emission properties","CrystEngComm","2007","9","5","412","","10.1039/b701551h","","","0.71073","MoKα","","0.0778","0.0709","","","0.2012","0.2095","","","","","","1.074","","","","has coordinates,has disorder","180358","2020-10-21","18:00:00",""
"7202754","9.0079","0.0016","12.129","0.002","14.031","0.002","110.672","0.002","100.713","0.003","98.948","0.003","1367.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H38 Cl8 Mn N8 -","- C58 H36 Cl8 Mn N8 -","- C58 H36 Cl8 Mn N8 -","1","0.5","","Li, Lei; Hu, Tong-Liang; Li, Jian-Rong; Wang, Duo-Zhi; Zeng, Yong-Fei; Bu, Xian-He","Metal?organic coordination architectures of 9,10-bis(N-benzimidazolyl)anthracene: syntheses, structures and emission properties","CrystEngComm","2007","9","5","412","","10.1039/b701551h","","","0.71073","MoKα","","0.0979","0.0594","","","0.1451","0.1704","","","","","","1.025","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202755","12.586","0.005","16.546","0.007","26.9","0.012","90","","99.338","0.01","90","","5528","4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H40 N4 S2 -","- C22 H40 N4 S2 -","- C176 H320 N32 S16 -","8","2","","Custelcean, Radu; Engle, Nancy L.; Bonnesen, Peter V.","Crystalline hydrogen-bonded nanocolumns of cyclic thiourea octamers","CrystEngComm","2007","9","6","452","","10.1039/b701570d","","","0.71073","MoKα","","0.1558","0.0696","","","0.1388","0.163","","","","","","0.864","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202759","13.8208","0.0014","6.8015","0.0006","16.8268","0.0016","90","","103.653","0.002","90","","1537.1","0.3","571","2","571","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 N6 O4 Zn -","- C12 H10 N6 O4 Zn -","- C48 H40 N24 O16 Zn4 -","4","0.5","","Ghoreishi Amiri, Maryam; Mahmoudi, Ghodrat; Morsali, Ali; Hunter, Allen D.; Zeller, Matthias","Zinc(ii) nitrite coordination polymers based on rigid and flexible organic nitrogen donor ligands","CrystEngComm","2007","9","8","686","","10.1039/b701711a","","","0.71073","MoKα","","0.0321","0.03","","","0.0879","0.0895","","","","","","1.077","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202760","16.202","0.004","12.591","0.003","11.488","0.003","90","","90.283","0.004","90","","2343.5","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 N8 O8 Zn2 -","- C20 H16 N8 O8 Zn2 -","- C80 H64 N32 O32 Zn8 -","4","1","","Ghoreishi Amiri, Maryam; Mahmoudi, Ghodrat; Morsali, Ali; Hunter, Allen D.; Zeller, Matthias","Zinc(ii) nitrite coordination polymers based on rigid and flexible organic nitrogen donor ligands","CrystEngComm","2007","9","8","686","","10.1039/b701711a","","","0.71073","MoKα","","0.0488","0.0428","","","0.123","0.1374","","","","","","1.109","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202761","10.3273","0.0008","15.0682","0.0012","19.0674","0.0015","90","","90","","90","","2967.2","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 N4 O4 Zn -","- C13 H14 N4 O4 Zn -","- C104 H112 N32 O32 Zn8 -","8","2","","Ghoreishi Amiri, Maryam; Mahmoudi, Ghodrat; Morsali, Ali; Hunter, Allen D.; Zeller, Matthias","Zinc(ii) nitrite coordination polymers based on rigid and flexible organic nitrogen donor ligands","CrystEngComm","2007","9","8","686","","10.1039/b701711a","","","0.71073","MoKα","","0.0261","0.0246","","","0.0613","0.0622","","","","","","1.056","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202762","6.7562","0.0003","13.1951","0.0007","33.5642","0.0017","90","","94.263","0.001","90","","2983.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N12 O9 Zn2 -","- C24 H22 N12 O9 Zn2 -","- C96 H88 N48 O36 Zn8 -","4","1","","Ghoreishi Amiri, Maryam; Mahmoudi, Ghodrat; Morsali, Ali; Hunter, Allen D.; Zeller, Matthias","Zinc(ii) nitrite coordination polymers based on rigid and flexible organic nitrogen donor ligands","CrystEngComm","2007","9","8","686","","10.1039/b701711a","","","0.71073","MoKα","","0.0548","0.0478","","","0.1117","0.116","","","","","","1.078","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202763","6.8528","0.0004","7.1459","0.0004","14.3017","0.0008","100.991","0.001","91.827","0.001","94.104","0.001","685","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H12 N4 O4 Zn -","- C12 H12 N4 O4 Zn -","- C24 H24 N8 O8 Zn2 -","2","1","","Ghoreishi Amiri, Maryam; Mahmoudi, Ghodrat; Morsali, Ali; Hunter, Allen D.; Zeller, Matthias","Zinc(ii) nitrite coordination polymers based on rigid and flexible organic nitrogen donor ligands","CrystEngComm","2007","9","8","686","","10.1039/b701711a","","","0.71073","MoKα","","0.022","0.0215","","","0.0571","0.0574","","","","","","1.044","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202764","18.91","0.0016","5.9777","0.0006","17.2465","0.0017","90","","96.236","0.004","90","","1938","0.3","90","1","90","1","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C25 H20 N2 O3 -","- C25 H20 N2 O3 -","- C100 H80 N8 O12 -","4","1","","Wang, Jing; Ding, Liyu; Yang, Caiqin","Three concomitant polymorphs of 1?:?1 4,4?-dihydroxybenzophenone/1,2-bis(4-pyridyl)-ethylene: applications of hydrothermal method in searching polymorphs","CrystEngComm","2007","9","7","591","","10.1039/b701746d","","","0.71073","MoKα","","0.0743","0.0495","","","0.1178","0.1337","","","","","","1.002","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202765","43.6174","0.0015","5.9652","0.0002","7.4612","0.0003","90","","90","","90","","1941.3","0.12","90","1","90","1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C25 H20 N2 O3 -","- C25 H20 N2 O3 -","- C100 H80 N8 O12 -","4","1","","Wang, Jing; Ding, Liyu; Yang, Caiqin","Three concomitant polymorphs of 1?:?1 4,4?-dihydroxybenzophenone/1,2-bis(4-pyridyl)-ethylene: applications of hydrothermal method in searching polymorphs","CrystEngComm","2007","9","7","591","","10.1039/b701746d","","","0.71073","MoKα","","0.1055","0.0508","","","0.0946","0.1136","","","","","","0.955","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202766","23.76","0.002","6.0368","0.0005","13.6085","0.0012","90","","101.123","0.003","90","","1915.3","0.3","90","1","90","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H20 N2 O3 -","- C25 H20 N2 O3 -","- C100 H80 N8 O12 -","4","0.5","","Wang, Jing; Ding, Liyu; Yang, Caiqin","Three concomitant polymorphs of 1?:?1 4,4?-dihydroxybenzophenone/1,2-bis(4-pyridyl)-ethylene: applications of hydrothermal method in searching polymorphs","CrystEngComm","2007","9","7","591","","10.1039/b701746d","","","0.71073","MoKα","","0.0522","0.0416","","","0.1078","0.1177","","","","","","1.046","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202768","7.9642","0.001","9.1534","0.0012","10.9628","0.0014","84.746","0.002","79.247","0.002","79.584","0.002","770.83","0.17","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 N3 O5 Zn -","- C15 H15 N3 O5 Zn -","- C30 H30 N6 O10 Zn2 -","2","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","Supramolecular structural diversities in the metal?organic frameworks derived from pyridylamide ligands: studying the effects of ligating topologies, hydrogen bonding backbone of the ligands and counter anions","CrystEngComm","2007","9","7","548","","10.1039/b701782k","","","0.71073","MoKα","","0.0575","0.0471","","","0.124","0.138","","","","","","1.101","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202769","8.486","0.004","9.551","0.004","16.351","0.006","90","","97.79","0.02","90","","1313","1","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 B F4.17 N3 O2 Zn0.5 -","- C11 H11 B F4.18 N3 O2 Zn0.5 -","- C44 H44 B4 F16.72 N12 O8 Zn2 -","4","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","Supramolecular structural diversities in the metal?organic frameworks derived from pyridylamide ligands: studying the effects of ligating topologies, hydrogen bonding backbone of the ligands and counter anions","CrystEngComm","2007","9","7","548","","10.1039/b701782k","","","0.71073","MoKα","","0.1225","0.0667","","","0.1511","0.1757","","","","","","1.008","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202770","7.805","0.003","13.773","0.006","13.362","0.004","90","","119.81","0.017","90","","1246.3","0.8","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 Cl2 N3 O Zn -","- C11 H9 Cl2 N3 O Zn -","- C44 H36 Cl8 N12 O4 Zn4 -","4","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","Supramolecular structural diversities in the metal?organic frameworks derived from pyridylamide ligands: studying the effects of ligating topologies, hydrogen bonding backbone of the ligands and counter anions","CrystEngComm","2007","9","7","548","","10.1039/b701782k","","","0.71073","MoKα","","0.1586","0.1014","","","0.1876","0.204","","","","","","1.174","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202771","7.8782","0.001","8.2339","0.001","9.8945","0.0012","93.223","0.002","98.037","0.002","112.535","0.002","582.76","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H9 Cd0.5 N4 O4 -","- C11 H9 Cd0.5 N4 O4 -","- C22 H18 Cd N8 O8 -","2","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","Supramolecular structural diversities in the metal?organic frameworks derived from pyridylamide ligands: studying the effects of ligating topologies, hydrogen bonding backbone of the ligands and counter anions","CrystEngComm","2007","9","7","548","","10.1039/b701782k","","","0.71073","MoKα","","0.0306","0.0304","","","0.0807","0.081","","","","","","1.151","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202772","10.2806","0.001","22.399","0.002","15.2443","0.0011","90","","124.862","0.004","90","","2880.4","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Cd N8 O8 -","- C22 H18 Cd N8 O8 -","- C88 H72 Cd4 N32 O32 -","4","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","Supramolecular structural diversities in the metal?organic frameworks derived from pyridylamide ligands: studying the effects of ligating topologies, hydrogen bonding backbone of the ligands and counter anions","CrystEngComm","2007","9","7","548","","10.1039/b701782k","","","0.71073","MoKα","","0.0982","0.0871","","","0.1957","0.1996","","","","","","1.289","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202773","8.738","0.004","9.491","0.004","15.969","0.007","90","","92.922","0.007","90","","1322.6","1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H9 Cl2 N3 O Zn -","- C11 H9 Cl2 N3 O Zn -","- C44 H36 Cl8 N12 O4 Zn4 -","4","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","Supramolecular structural diversities in the metal?organic frameworks derived from pyridylamide ligands: studying the effects of ligating topologies, hydrogen bonding backbone of the ligands and counter anions","CrystEngComm","2007","9","7","548","","10.1039/b701782k","","","0.71073","MoKα","","0.0438","0.0341","","","0.083","0.0884","","","","","","0.894","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202774","6.203","0.003","6.7961","0.0012","6.998","0.002","90","0.017","90","0.03","90","0.03","295.01","0.17","293","2","293","2","","","","","","","","4","P n 21 m","P -2 -2bc","31","","","","- C4 H6 Cu O5 -","- C4 H6 Cu O5 -","- C8 H12 Cu2 O10 -","2","0.5","","Jorge Pasán; Joaquín Sanchiz; Francesc Lloret; Miguel Julve; Catalina Ruiz-Pérez","Crystal engineering of 3-D coordination polymers by pillaring ferromagnetic copper(ii)-methylmalonate layers","CrystEngComm","2007","9","6","478","","10.1039/b701788j","","x-ray","0.71073","MoKα","","0.0385","0.0352","","","0.0862","0.0872","","","","","","1.09","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202775","6.2854","0.0002","16.4373","0.0006","7.0129","0.0002","90","","92.594","0.002","90","","723.8","0.04","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H6 Cu N O4 -","- C6 H6 Cu N O4 -","- C24 H24 Cu4 N4 O16 -","4","1","","Jorge Pasán; Joaquín Sanchiz; Francesc Lloret; Miguel Julve; Catalina Ruiz-Pérez","Crystal engineering of 3-D coordination polymers by pillaring ferromagnetic copper(ii)-methylmalonate layers","CrystEngComm","2007","9","6","478","","10.1039/b701788j","","x-ray","0.71073","MoKα","","0.0382","0.03","","","0.0704","0.0738","","","","","","0.906","","","","has coordinates,has disorder","180358","2020-10-21","18:00:00",""
"7202776","7.2395","0.0004","19.4035","0.0014","7.3889","0.0003","90","0.005","91.844","0.005","90","0.005","1037.39","0.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H10 Cu N O5 -","- C9 H10 Cu N O5 -","- C36 H40 Cu4 N4 O20 -","4","1","","Jorge Pasán; Joaquín Sanchiz; Francesc Lloret; Miguel Julve; Catalina Ruiz-Pérez","Crystal engineering of 3-D coordination polymers by pillaring ferromagnetic copper(ii)-methylmalonate layers","CrystEngComm","2007","9","6","478","","10.1039/b701788j","","x-ray","0.71073","MoKα","","0.0921","0.0597","","","0.1035","0.1145","","","","","","1.052","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202777","14.144","0.003","14.144","0.003","3.8148","0.0007","90","","90","","90","","763.2","0.3","293","2","293","2","","","","","","","","5","P -4 b 2","P -4 -2ab","117","Compound 1","","","- C10 H6 Cl6 Hg N2 -","- C10 H6 Cl6 Hg N2 -","- C20 H12 Cl12 Hg2 N4 -","2","0.25","","Hu, Chunhua; Kalf, Irmgard; Englert, Ulli","Pyridine complexes of mercury(ii)halides: Implications of a soft metal center for crystal engineering.","CrystEngComm","2007","9","7","603","","10.1039/b701907f","","","0.71073","MoKα","","0.0397","0.03","","","0.0735","0.0798","","","","","","1.018","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202778","14.147","0.002","14.147","0.002","3.8871","0.0008","90","","90","","90","","778","0.2","293","2","293","2","","","","","","","","6","P -4 b 2","P -4 -2ab","117","Compound 2","","","- C10 H6 Br4 Cl2 Hg N2 -","- C10 H6 Br4 Cl2 Hg N2 -","- C20 H12 Br8 Cl4 Hg2 N4 -","2","0.25","","Hu, Chunhua; Kalf, Irmgard; Englert, Ulli","Pyridine complexes of mercury(ii)halides: Implications of a soft metal center for crystal engineering.","CrystEngComm","2007","9","7","603","","10.1039/b701907f","","","0.71073","MoKα","","0.0268","0.0233","","","0.0507","0.0516","","","","","","0.99","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202779","14.1357","0.0007","14.1357","0.0007","3.9721","0.0003","90","","90","","90","","793.7","0.08","293","2","293","2","","","","","","","","5","P -4 b 2","P -4 -2ab","117","Compound 3a","","","- C14 H18 Cl2 Hg N2 -","- C14 H18 Cl2 Hg N2 -","- C28 H36 Cl4 Hg2 N4 -","2","0.25","","Hu, Chunhua; Kalf, Irmgard; Englert, Ulli","Pyridine complexes of mercury(ii)halides: Implications of a soft metal center for crystal engineering.","CrystEngComm","2007","9","7","603","","10.1039/b701907f","","","0.71073","MoKα","","0.0236","0.0197","","","0.0487","0.0497","","","","","","1.172","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202780","3.996","0.0009","20.203","0.004","16.572","0.004","90","","95.292","0.005","90","","1332.2","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Compound 3b","","","- C14 H18 Cl8 Hg4 N2 -","- C14 H18 Cl8 Hg4 N2 -","- C28 H36 Cl16 Hg8 N4 -","2","0.5","","Hu, Chunhua; Kalf, Irmgard; Englert, Ulli","Pyridine complexes of mercury(ii)halides: Implications of a soft metal center for crystal engineering.","CrystEngComm","2007","9","7","603","","10.1039/b701907f","","","0.71073","MoKα","","0.07","0.0411","","","0.0896","0.0994","","","","","","1.025","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202781","4.0533","0.0009","17.987","0.004","13.77","0.003","90","","90.315","0.005","90","","1003.9","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Compound 4","","","- C5 H3 Br2 Cl2 Hg N -","- C5 H3 Br2 Cl2 Hg N -","- C20 H12 Br8 Cl8 Hg4 N4 -","4","1","","Hu, Chunhua; Kalf, Irmgard; Englert, Ulli","Pyridine complexes of mercury(ii)halides: Implications of a soft metal center for crystal engineering.","CrystEngComm","2007","9","7","603","","10.1039/b701907f","","","0.71073","MoKα","","0.0709","0.0412","","","0.0893","0.0996","","","","","","1.009","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202782","4.0004","0.0011","14.637","0.004","14.682","0.004","86.845","0.005","84.25","0.005","82.925","0.005","848.1","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Compound 5","","","- C10 H6 Br6 Hg N2 -","- C10 H6 Br6 Hg N2 -","- C20 H12 Br12 Hg2 N4 -","2","1","","Hu, Chunhua; Kalf, Irmgard; Englert, Ulli","Pyridine complexes of mercury(ii)halides: Implications of a soft metal center for crystal engineering.","CrystEngComm","2007","9","7","603","","10.1039/b701907f","","","0.71073","MoKα","","0.1286","0.057","","","0.1063","0.129","","","","","","0.958","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202783","8.0661","0.0008","8.8122","0.0008","12.985","0.0012","79.354","0.002","86.643","0.002","74.281","0.003","873.13","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Compound 6","","","- C14 H18 Br2 Hg N2 -","- C14 H18 Br2 Hg N2 -","- C28 H36 Br4 Hg2 N4 -","2","1","","Hu, Chunhua; Kalf, Irmgard; Englert, Ulli","Pyridine complexes of mercury(ii)halides: Implications of a soft metal center for crystal engineering.","CrystEngComm","2007","9","7","603","","10.1039/b701907f","","","0.71073","MoKα","","0.0955","0.0521","","","0.1049","0.1221","","","","","","1.017","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202784","30.27","0.007","4.2661","0.001","18.671","0.004","90","","115.47","0.004","90","","2176.7","0.9","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Compound 7","","","- C5 H3 Cl2 Hg I2 N -","- C5 H3 Cl2 Hg I2 N -","- C40 H24 Cl16 Hg8 I16 N8 -","8","1","","Hu, Chunhua; Kalf, Irmgard; Englert, Ulli","Pyridine complexes of mercury(ii)halides: Implications of a soft metal center for crystal engineering.","CrystEngComm","2007","9","7","603","","10.1039/b701907f","","","0.71073","MoKα","","0.0433","0.0341","","","0.0689","0.0716","","","","","","1.037","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202785","31.509","0.004","4.3075","0.0005","19.009","0.002","90","","115.703","0.002","90","","2324.7","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Compound 8","","","- C5 H3 Br2 Hg I2 N -","- C5 H3 Br2 Hg I2 N -","- C40 H24 Br16 Hg8 I16 N8 -","8","1","","Hu, Chunhua; Kalf, Irmgard; Englert, Ulli","Pyridine complexes of mercury(ii)halides: Implications of a soft metal center for crystal engineering.","CrystEngComm","2007","9","7","603","","10.1039/b701907f","","","0.71073","MoKα","","0.0583","0.0386","","","0.0767","0.0824","","","","","","1.03","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202786","31.055","0.003","4.3117","0.0004","19.1185","0.0018","90","","115.52","0.002","90","","2310.2","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Compound 9a","","","- C7 H9 Hg I2 N -","- C7 H9 Hg I2 N -","- C56 H72 Hg8 I16 N8 -","8","1","","Hu, Chunhua; Kalf, Irmgard; Englert, Ulli","Pyridine complexes of mercury(ii)halides: Implications of a soft metal center for crystal engineering.","CrystEngComm","2007","9","7","603","","10.1039/b701907f","","","0.71073","MoKα","","0.0724","0.0418","","","0.0919","0.1025","","","","","","0.987","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202787","8.2309","0.0006","9.1784","0.0007","13.092","0.001","79.229","0.003","88.173","0.003","74.877","0.003","937.83","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Compound 9b","","","- C14 H18 Hg I2 N2 -","- C14 H18 Hg I2 N2 -","- C28 H36 Hg2 I4 N4 -","2","1","","Hu, Chunhua; Kalf, Irmgard; Englert, Ulli","Pyridine complexes of mercury(ii)halides: Implications of a soft metal center for crystal engineering.","CrystEngComm","2007","9","7","603","","10.1039/b701907f","","","0.71073","MoKα","","0.0944","0.0456","","","0.0886","0.1042","","","","","","0.968","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202789","9.1435","0.0016","11.0699","0.0019","15.513","0.003","80.882","0.003","80.403","0.003","86.436","0.003","1527.6","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H21 F12 Hg N11 O2 P2 -","- C20 H21 F12 Hg N11 O2 P2 -","- C40 H42 F24 Hg2 N22 O4 P4 -","2","1","","Lee, Kwang-Ming; Chen, Jack C. C.; Huang, Chao-June; Lin, Ivan J. B.","Rectangular architectures formed by acyclic diamido-metal-N-heterocyclic carbenes with skewed conformation","CrystEngComm","2007","9","4","278","","10.1039/b702032p","","","0.71073","MoKα","","0.0367","0.0304","","","0.0747","0.0768","","","","","","1.05","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202790","8.6944","0.0006","13.1067","0.0011","13.2853","0.0009","77.141","0.006","87.457","0.007","77.036","0.006","1438.31","0.19","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H18 F12 Hg N10 O2 P2 -","- C18 H18 F12 Hg N10 O2 P2 -","- C36 H36 F24 Hg2 N20 O4 P4 -","2","1","","Lee, Kwang-Ming; Chen, Jack C. C.; Huang, Chao-June; Lin, Ivan J. B.","Rectangular architectures formed by acyclic diamido-metal-N-heterocyclic carbenes with skewed conformation","CrystEngComm","2007","9","4","278","","10.1039/b702032p","","","0.71073","MoKα","","0.0617","0.0529","","","0.122","0.125","","","","","","1.212","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202791","8.6505","0.0004","12.0994","0.0005","12.9051","0.0006","81.206","0.001","77.8","0.001","87.34","0.001","1304.56","0.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H18 B2 F8 Hg N10 O2 -","- C18 H18 B2 F8 Hg N10 O2 -","- C36 H36 B4 F16 Hg2 N20 O4 -","2","1","","Lee, Kwang-Ming; Chen, Jack C. C.; Huang, Chao-June; Lin, Ivan J. B.","Rectangular architectures formed by acyclic diamido-metal-N-heterocyclic carbenes with skewed conformation","CrystEngComm","2007","9","4","278","","10.1039/b702032p","","","0.71073","MoKα","","0.0291","0.0271","","","0.0803","0.0816","","","","","","1.046","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202792","18.305","0.002","11.4053","0.0013","7.8859","0.0009","90","","91.556","0.002","90","","1645.8","0.3","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C22 H34 Ag F6 N10 O4 P S2 -","- C22 H34 Ag F6 N10 O4 P S2 -","- C44 H68 Ag2 F12 N20 O8 P2 S4 -","2","0.5","","Lee, Kwang-Ming; Chen, Jack C. C.; Huang, Chao-June; Lin, Ivan J. B.","Rectangular architectures formed by acyclic diamido-metal-N-heterocyclic carbenes with skewed conformation","CrystEngComm","2007","9","4","278","","10.1039/b702032p","","","0.71073","MoKα","","0.0893","0.0468","","","0.1364","0.1675","","","","","","1.065","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202793","5.3605","0.0003","8.1395","0.0004","8.8621","0.0005","84.19","0.004","73.687","0.005","88.389","0.005","369.2","0.04","104","2","104","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 Cl2 N2 O2 -","- C14 H18 Cl2 N2 O2 -","- C14 H18 Cl2 N2 O2 -","1","0.5","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Structural consequences of benzidine dihydrochloride substitution in the solid state","CrystEngComm","2007","9","11","1029","","10.1039/b702072d","","","0.71073","MoKα","","0.0228","0.0205","","","0.0591","0.0597","","","","","","1.113","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202794","7.5615","0.0006","9.542","0.0008","19.8392","0.0016","90","","90","","90","","1431.4","0.2","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C12 H12 Cl4 N2 -","- C12 H12 Cl4 N2 -","- C48 H48 Cl16 N8 -","4","1","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Structural consequences of benzidine dihydrochloride substitution in the solid state","CrystEngComm","2007","9","11","1029","","10.1039/b702072d","","","0.71073","MoKα","","0.0684","0.0344","","","0.0643","0.0935","","","","","","0.892","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202795","7.5938","0.0002","9.5918","0.0003","20.0837","0.0007","90","","90","","90","","1462.86","0.08","103","2","103","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C14 H18 Cl2 N2 -","- C14 H18 Cl2 N2 -","- C56 H72 Cl8 N8 -","4","1","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Structural consequences of benzidine dihydrochloride substitution in the solid state","CrystEngComm","2007","9","11","1029","","10.1039/b702072d","","","0.71073","MoKα","","0.0243","0.0209","","","0.05","0.0505","","","","","","1.001","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202796","8.1288","0.0006","8.0393","0.0005","45.532","0.003","90","","90","","90","","2975.5","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H18 Cl2 N2 -","- C14 H18 Cl2 N2 -","- C112 H144 Cl16 N16 -","8","1","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Structural consequences of benzidine dihydrochloride substitution in the solid state","CrystEngComm","2007","9","11","1029","","10.1039/b702072d","","","0.71073","MoKα","","0.0774","0.0434","","","0.0992","0.1254","","","","","","1.046","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202797","16.221","0.002","16.221","0.002","6.7461","0.0012","90","","90","","90","","1775","0.4","100","2","100","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C16 H22 Cl2 N2 O2 -","- C16 H22 Cl2 N2 O2 -","- C64 H88 Cl8 N8 O8 -","4","0.5","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Structural consequences of benzidine dihydrochloride substitution in the solid state","CrystEngComm","2007","9","11","1029","","10.1039/b702072d","","","0.71073","MoKα","","0.1268","0.0739","","","0.1799","0.2093","","","","","","1.004","","","","has coordinates,has disorder","180358","2020-10-21","18:00:00",""
"7202798","14.938","0.002","5.2272","0.0008","13.1403","0.0016","90","","109.792","0.013","90","","965.4","0.2","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C12 H16 Cl6 N2 O3 -","- C12 H16 Cl6 N2 O3 -","- C24 H32 Cl12 N4 O6 -","2","0.5","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Structural consequences of benzidine dihydrochloride substitution in the solid state","CrystEngComm","2007","9","11","1029","","10.1039/b702072d","","","0.71073","MoKα","","0.0673","0.0284","","","0.0504","0.0541","","","","","","0.789","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202799","21.716","0.0018","21.6971","0.0016","7.6449","0.0006","90","","93.524","0.006","90","","3595.3","0.5","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H42 Cl8 N8 O4 -","- C24 H42 Cl8 N8 O4 -","- C96 H168 Cl32 N32 O16 -","4","1","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Structural consequences of benzidine dihydrochloride substitution in the solid state","CrystEngComm","2007","9","11","1029","","10.1039/b702072d","","","0.71073","MoKα","","0.0982","0.0345","","","0.0689","0.0834","","","","","","0.769","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202800","29.02","0.003","7.2098","0.0007","7.345","0.0007","90","","94.869","0.008","90","","1531.2","0.3","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Cl2 F8 N2 O2 -","- C12 H10 Cl2 F8 N2 O2 -","- C48 H40 Cl8 F32 N8 O8 -","4","1","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Structural consequences of benzidine dihydrochloride substitution in the solid state","CrystEngComm","2007","9","11","1029","","10.1039/b702072d","","","0.71073","MoKα","","0.0421","0.0265","","","0.0664","0.0747","","","","","","1.014","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202801","12.8813","0.0006","7.2351","0.0002","15.5983","0.0008","90","","101.215","0.004","90","","1425.96","0.11","104","2","104","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 Cl F8 N2 O -","- C13 H9 Cl F8 N2 O -","- C52 H36 Cl4 F32 N8 O4 -","4","1","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Structural consequences of benzidine dihydrochloride substitution in the solid state","CrystEngComm","2007","9","11","1029","","10.1039/b702072d","","","0.71073","MoKα","","0.0301","0.0241","","","0.0709","0.0721","","","","","","1.051","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202802","10.7907","0.0004","8.9839","0.0004","23.175","0.0008","90","","90","","90","","2246.64","0.15","104","2","104","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H4 F8 N2 -","- C12 H4 F8 N2 -","- C96 H32 F64 N16 -","8","1","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Structural consequences of benzidine dihydrochloride substitution in the solid state","CrystEngComm","2007","9","11","1029","","10.1039/b702072d","","","0.71073","MoKα","","0.04","0.0273","","","0.0802","0.0823","","","","","","1.002","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202803","23.811","0.006","6.1672","0.0014","4.9037","0.0013","90","","100.84","0.02","90","","707.2","0.3","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C14 H18 Cl2 N2 -","- C14 H18 Cl2 N2 -","- C28 H36 Cl4 N4 -","2","0.5","","Dobrzycki, Lukasz; Woźniak, Krzysztof","Structural consequences of benzidine dihydrochloride substitution in the solid state","CrystEngComm","2007","9","11","1029","","10.1039/b702072d","","","0.71073","MoKα","","0.034","0.0284","","","0.0732","0.0747","","","","","","1.073","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202804","12.336","0.003","13.411","0.003","22.475","0.005","76.27","0.03","75.26","0.03","67.95","0.03","3290.9","1.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H34 La4 N8 O40 -","- C58 H26 La4 N8 O40 -","- C116 H52 La8 N16 O80 -","2","1","","Ye, Jun-Wei; Wang, Jia; Zhang, Jing-Ying; Zhang, Ping; Wang, Yue","Construction of 2-D lanthanide coordination frameworks: syntheses, structures and luminescent property","CrystEngComm","2007","9","6","515","","10.1039/b702106b","","","0.71073","MoKα","","0.0446","0.0278","","","0.0735","0.0889","","","","","","1.038","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202805","12.275","0.003","13.386","0.003","22.313","0.005","76.23","0.03","75.33","0.03","68.03","0.03","3247","1.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H34 N8 O40 Pr4 -","- C58 H26 N8 O40 Pr4 -","- C116 H52 N16 O80 Pr8 -","2","1","","Ye, Jun-Wei; Wang, Jia; Zhang, Jing-Ying; Zhang, Ping; Wang, Yue","Construction of 2-D lanthanide coordination frameworks: syntheses, structures and luminescent property","CrystEngComm","2007","9","6","515","","10.1039/b702106b","","","0.71073","MoKα","","0.0454","0.0346","","","0.0985","0.1064","","","","","","1.096","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202806","9.798","0.002","10.729","0.002","13.238","0.003","94.33","0.03","102.05","0.03","115.42","0.03","1207.5","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H15 La N3 O14 -","- C21 H11 La N3 O14 -","- C42 H22 La2 N6 O28 -","2","1","","Ye, Jun-Wei; Wang, Jia; Zhang, Jing-Ying; Zhang, Ping; Wang, Yue","Construction of 2-D lanthanide coordination frameworks: syntheses, structures and luminescent property","CrystEngComm","2007","9","6","515","","10.1039/b702106b","","","0.71073","MoKα","","0.0587","0.0474","","","0.1305","0.1353","","","","","","0.999","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202807","9.978","0.002","10.9","0.002","13.237","0.003","74.72","0.03","78.43","0.03","62.9","0.03","1230.9","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H19 N3 O16 Pr -","- C21 H11 N3 O16 Pr -","- C42 H22 N6 O32 Pr2 -","2","1","","Ye, Jun-Wei; Wang, Jia; Zhang, Jing-Ying; Zhang, Ping; Wang, Yue","Construction of 2-D lanthanide coordination frameworks: syntheses, structures and luminescent property","CrystEngComm","2007","9","6","515","","10.1039/b702106b","","","0.71073","MoKα","","0.0458","0.0425","","","0.1145","0.1171","","","","","","1.114","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202808","9.885","0.002","10.786","0.002","13.178","0.003","94.95","0.03","101.36","0.03","116.45","0.03","1208.8","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H19 N3 Nd O16 -","- C21 H11 N3 Nd O16 -","- C42 H22 N6 Nd2 O32 -","2","1","","Ye, Jun-Wei; Wang, Jia; Zhang, Jing-Ying; Zhang, Ping; Wang, Yue","Construction of 2-D lanthanide coordination frameworks: syntheses, structures and luminescent property","CrystEngComm","2007","9","6","515","","10.1039/b702106b","","","0.71073","MoKα","","0.0424","0.0383","","","0.1067","0.1128","","","","","","0.937","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202809","8.6638","0.0017","9.3886","0.0019","13.781","0.003","85.33","0.03","78.1","0.03","74.43","0.03","1056.2","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H11 N3 O12 Sm -","- C21 H11 N3 O12 Sm -","- C42 H22 N6 O24 Sm2 -","2","1","","Ye, Jun-Wei; Wang, Jia; Zhang, Jing-Ying; Zhang, Ping; Wang, Yue","Construction of 2-D lanthanide coordination frameworks: syntheses, structures and luminescent property","CrystEngComm","2007","9","6","515","","10.1039/b702106b","","","0.71073","MoKα","","0.0472","0.0363","","","0.0946","0.109","","","","","","1.065","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202810","8.6559","0.0017","9.3993","0.0019","13.812","0.003","85.16","0.03","78.16","0.03","74.51","0.03","1059.4","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H11 Eu N3 O12 -","- C21 H11 Eu N3 O12 -","- C42 H22 Eu2 N6 O24 -","2","1","","Ye, Jun-Wei; Wang, Jia; Zhang, Jing-Ying; Zhang, Ping; Wang, Yue","Construction of 2-D lanthanide coordination frameworks: syntheses, structures and luminescent property","CrystEngComm","2007","9","6","515","","10.1039/b702106b","","","0.71073","MoKα","","0.0238","0.0219","","","0.0639","0.0808","","","","","","1.082","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202811","8.6598","0.0017","9.3878","0.0019","13.796","0.003","85.1","0.03","78.24","0.03","74.21","0.03","1056.1","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H11 N3 O12 Tb -","- C21 H11 N3 O12 Tb -","- C42 H22 N6 O24 Tb2 -","2","1","","Ye, Jun-Wei; Wang, Jia; Zhang, Jing-Ying; Zhang, Ping; Wang, Yue","Construction of 2-D lanthanide coordination frameworks: syntheses, structures and luminescent property","CrystEngComm","2007","9","6","515","","10.1039/b702106b","","","0.71073","MoKα","","0.0318","0.0293","","","0.1037","0.1074","","","","","","1.078","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202812","8.6712","0.0017","9.3753","0.0019","13.804","0.003","84.93","0.03","77.99","0.03","73.92","0.03","1054.1","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H11 Ho N3 O12 -","- C21 H11 Ho N3 O12 -","- C42 H22 Ho2 N6 O24 -","2","1","","Ye, Jun-Wei; Wang, Jia; Zhang, Jing-Ying; Zhang, Ping; Wang, Yue","Construction of 2-D lanthanide coordination frameworks: syntheses, structures and luminescent property","CrystEngComm","2007","9","6","515","","10.1039/b702106b","","","0.71073","MoKα","","0.0253","0.0228","","","0.0737","0.0794","","","","","","1.042","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202813","8.6721","0.0017","9.3671","0.0019","13.849","0.003","84.74","0.03","77.93","0.03","73.63","0.03","1054.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H11 N3 O12 Yb -","- C21 H11 N3 O12 Yb -","- C42 H22 N6 O24 Yb2 -","2","1","","Ye, Jun-Wei; Wang, Jia; Zhang, Jing-Ying; Zhang, Ping; Wang, Yue","Construction of 2-D lanthanide coordination frameworks: syntheses, structures and luminescent property","CrystEngComm","2007","9","6","515","","10.1039/b702106b","","","0.71073","MoKα","","0.0504","0.0392","","","0.1123","0.1346","","","","","","1.066","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202814","12.277","0.002","16.356","0.002","23.341","0.004","90","","90","","90","","4686.9","1.2","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H25 Cl O3 P2 -","- C24 H25 Cl O3 P2 -","- C192 H200 Cl8 O24 P16 -","8","1","","Mátyás Czugler; Tamás Körtvélyesi; László Fábián; Melinda Sipos; György Keglevich","Intra- and intermolecular interactions and water pincer in the crystal structure of a 3-P(O)Ph2 substituted 1,2,3,6-tetrahydrophosphinine oxide hydrate","CrystEngComm","2007","9","7","561","","10.1039/b702137b","","","0.7107","MoKα","","0.0466","0.0368","","","0.0979","0.1021","","","","","","1.066","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202815","13.941","0.003","15.075","0.003","15.075","0.003","82.15","0.03","87.23","0.03","87.23","0.03","3132","1.1","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H24 Cu2 N2 O8 -","- C38 H24 Cu2 N2 O8 -","- C76 H48 Cu4 N4 O16 -","2","1","","Pichon, Anne; Fierro, Claudio Mendicute; Nieuwenhuyzen, Mark; James, Stuart L.","A pillared-grid MOF with large pores based on the Cu2(O2CR)4 paddle-wheel","CrystEngComm","2007","9","6","449","","10.1039/b702176c","","","0.71073","MoKα","","0.2103","0.1425","","","0.3683","0.4106","","","","","","1.088","","","","has coordinates,has disorder","180359","2020-10-21","18:00:00",""
"7202816","8.6425","0.0017","13.656","0.003","11.778","0.002","90","","109.65","0.03","90","","1309.1","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N3 O -","- C14 H15 N3 O -","- C56 H60 N12 O4 -","4","1","","Wu, Biao; Huang, Xiaojuan; Xia, Yazhao; Yang, Xiao-Juan; Janiak, Christoph","Oxo-anion binding by protonated (dimethylphenyl)(pyridyl)ureas","CrystEngComm","2007","9","8","676","","10.1039/b702278f","","","0.71073","MoKα","","0.1191","0.0597","","","0.1321","0.1508","","","","","","0.947","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202817","13.241","0.003","7.9263","0.0016","13.576","0.003","90","","110.66","0.03","90","","1333.2","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H17 N3 O2 -","- C14 H17 N3 O2 -","- C56 H68 N12 O8 -","4","1","","Wu, Biao; Huang, Xiaojuan; Xia, Yazhao; Yang, Xiao-Juan; Janiak, Christoph","Oxo-anion binding by protonated (dimethylphenyl)(pyridyl)ureas","CrystEngComm","2007","9","8","676","","10.1039/b702278f","","","0.71073","MoKα","","0.0722","0.0482","","","0.1292","0.1378","","","","","","1.064","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202818","7.6682","0.0006","12.761","0.001","16.8947","0.0012","90","","90","","90","","1653.2","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 Cl N3 O6 -","- C14 H18 Cl N3 O6 -","- C56 H72 Cl4 N12 O24 -","4","1","","Wu, Biao; Huang, Xiaojuan; Xia, Yazhao; Yang, Xiao-Juan; Janiak, Christoph","Oxo-anion binding by protonated (dimethylphenyl)(pyridyl)ureas","CrystEngComm","2007","9","8","676","","10.1039/b702278f","","","0.71073","MoKα","","0.088","0.0675","","","0.1912","0.2157","","","","","","1.062","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202819","10.0234","0.0017","10.8158","0.0018","14.61","0.002","90","","99.832","0.003","90","","1560.6","0.4","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C14 H18 N4 O5 -","- C14 H18 N4 O5 -","- C56 H72 N16 O20 -","4","1","","Wu, Biao; Huang, Xiaojuan; Xia, Yazhao; Yang, Xiao-Juan; Janiak, Christoph","Oxo-anion binding by protonated (dimethylphenyl)(pyridyl)ureas","CrystEngComm","2007","9","8","676","","10.1039/b702278f","","","0.71073","MoKα","","0.0441","0.0354","","","0.0977","0.1021","","","","","","1.051","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202820","14.118","0.003","16.665","0.003","25.163","0.005","90","","90","","90","","5920","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H32 N6 O6 S -","- C28 H32 N6 O6 S -","- C224 H256 N48 O48 S8 -","8","1","","Wu, Biao; Huang, Xiaojuan; Xia, Yazhao; Yang, Xiao-Juan; Janiak, Christoph","Oxo-anion binding by protonated (dimethylphenyl)(pyridyl)ureas","CrystEngComm","2007","9","8","676","","10.1039/b702278f","","","0.71073","MoKα","","0.1799","0.0532","","","0.1272","0.1567","","","","","","0.797","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202821","11.659","0.002","12.283","0.003","21.669","0.004","90","","90","","90","","3103.2","1.1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H16 Cl N3 O5 -","- C14 H16 Cl N3 O5 -","- C112 H128 Cl8 N24 O40 -","8","1","","Wu, Biao; Huang, Xiaojuan; Xia, Yazhao; Yang, Xiao-Juan; Janiak, Christoph","Oxo-anion binding by protonated (dimethylphenyl)(pyridyl)ureas","CrystEngComm","2007","9","8","676","","10.1039/b702278f","","","0.71073","MoKα","","0.1432","0.0567","","","0.1642","0.1922","","","","","","0.85","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202824","14.2158","0.0004","14.2158","0.0004","9.4244","0.0002","90","","90","","120","","1649.4","0.07","150","2","150","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","tris(2,2'-bipyridine-3,3-diol-H)cobalt(iii) hydrate","","","- C30 H23 Co N6 O7 -","- C30 H22.98 Co N6 O6.99 -","- C60 H45.96 Co2 N12 O13.98 -","2","0.166667","","Stephenson, Maria D.; Hardie, Michaele J.","Network structures with 2,2?-bipyridine-3,3?diol: a discrete Co(III) complex that forms a porous 3-D hydrogen bonded network, and Cu(ii) coordination chains","CrystEngComm","2007","9","6","496","","10.1039/b702509m","","","0.71073","MoKα","","0.06","0.0575","","","0.2134","0.2173","","","","","","1.257","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202825","14.311","0.002","14.311","0.002","9.5165","0.0019","90","","90","","120","","1687.9","0.5","150","2","150","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","tris(2,2'-bipyridine-3,3'-diol-H)cobalt(iii)","","","- C30 H21 Co N6 O6 -","- C30 H21 Co N6 O6 -","- C60 H42 Co2 N12 O12 -","2","0.166667","","Stephenson, Maria D.; Hardie, Michaele J.","Network structures with 2,2?-bipyridine-3,3?diol: a discrete Co(III) complex that forms a porous 3-D hydrogen bonded network, and Cu(ii) coordination chains","CrystEngComm","2007","9","6","496","","10.1039/b702509m","","","0.71073","MoKα","","0.1372","0.1321","","","0.454","0.4634","","","","","","2.358","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202826","14.1281","0.0003","14.1281","0.0003","9.4484","0.0002","90","","90","","120","","1633.26","0.06","30","2","30","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","tris(2,2'-bipyridine-3,3-diol-H)cobalt(iii) hydrate","","","- C30 H23 Co N6 O7 -","- C30 H22.98 Co N6 O6.99 -","- C60 H45.96 Co2 N12 O13.98 -","2","0.166667","","Stephenson, Maria D.; Hardie, Michaele J.","Network structures with 2,2?-bipyridine-3,3?diol: a discrete Co(III) complex that forms a porous 3-D hydrogen bonded network, and Cu(ii) coordination chains","CrystEngComm","2007","9","6","496","","10.1039/b702509m","","","0.71073","MoKα","","0.0798","0.0628","","","0.1927","0.2086","","","","","","1.102","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202827","14.2706","0.0005","14.2706","0.0005","9.4516","0.0004","90","","90","","120","","1666.94","0.11","150","2","150","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","tris(2,2'-bipyridine-3,3-diol-H)cobalt(iii) 1,2- dibromobenzene clathrate","","","- C36 H25 Br2 Co N6 O6 -","- C36 H21 Br2.04 Co N6 O6 -","- C72 H42 Br4.08 Co2 N12 O12 -","2","0.166667","","Stephenson, Maria D.; Hardie, Michaele J.","Network structures with 2,2?-bipyridine-3,3?diol: a discrete Co(III) complex that forms a porous 3-D hydrogen bonded network, and Cu(ii) coordination chains","CrystEngComm","2007","9","6","496","","10.1039/b702509m","","","0.71073","MoKα","","0.0694","0.0495","","","0.125","0.1378","","","","","","1.054","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202828","13.1259","0.0003","13.1259","0.0003","22.2808","0.0006","90","","90","","90","","3838.74","0.16","150","2","150","2","","","","","","","","6","I 41/a :2","-I 4ad","88","(2,2'-bipyridine-3,3'-diol -H)chlorocopper(ii)","","","- C10 H7 Cl Cu N2 O2 -","- C10 H7 Cl Cu N2 O2 -","- C160 H112 Cl16 Cu16 N32 O32 -","16","1","","Stephenson, Maria D.; Hardie, Michaele J.","Network structures with 2,2?-bipyridine-3,3?diol: a discrete Co(III) complex that forms a porous 3-D hydrogen bonded network, and Cu(ii) coordination chains","CrystEngComm","2007","9","6","496","","10.1039/b702509m","","","0.71073","MoKα","","0.0467","0.0364","","","0.0887","0.0949","","","","","","1.074","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202829","13.2775","0.0001","13.2775","0.0001","22.4184","0.0003","90","","90","","90","","3952.18","0.07","150","2","150","2","","","","","","","","6","I 41/a :2","-I 4ad","88","(2,2'-bipyridine-3,3'-diol-H)bromocopper(ii)","","","- C10 H7 Br Cu N2 O2 -","- C10 H7 Br Cu N2 O2 -","- C160 H112 Br16 Cu16 N32 O32 -","16","1","","Stephenson, Maria D.; Hardie, Michaele J.","Network structures with 2,2?-bipyridine-3,3?diol: a discrete Co(III) complex that forms a porous 3-D hydrogen bonded network, and Cu(ii) coordination chains","CrystEngComm","2007","9","6","496","","10.1039/b702509m","","","0.71073","MoKα","","0.0562","0.0539","","","0.1403","0.1413","","","","","","1.287","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202830","9.196","0.0002","10.6603","0.0003","11.4383","0.0003","90","","103.196","0.001","90","","1091.71","0.05","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(2,2'-bipyridine-3,3'-diol-H)nitrocopper(ii)","","","- C10 H7 Cu N3 O5 -","- C10 H7 Cu N3 O5 -","- C40 H28 Cu4 N12 O20 -","4","1","","Stephenson, Maria D.; Hardie, Michaele J.","Network structures with 2,2?-bipyridine-3,3?diol: a discrete Co(III) complex that forms a porous 3-D hydrogen bonded network, and Cu(ii) coordination chains","CrystEngComm","2007","9","6","496","","10.1039/b702509m","","","0.71073","MoKα","","0.0376","0.0342","","","0.0944","0.0973","","","","","","1.035","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202831","6.4055","0.0013","9.589","0.002","13.479","0.005","78.22","0.03","86.37","0.03","73.407","0.015","776.7","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H7 F4 I2 N O2 -","- C13 H7 F4 I2 N O2 -","- C26 H14 F8 I4 N2 O4 -","2","1","","Russo, Luca; Biella, Serena; Lahtinen, Manu; Liantonio, Rosalba; Metrangolo, Pierangelo; Resnati, Giuseppe; Rissanen, Kari","Solution stoichiometry determines crystal stoichiometry in halogen-bonded supramolecular complexes","CrystEngComm","2007","9","5","341","","10.1039/b702512m","","","0.71073","MoKα","","0.0385","0.027","","","0.0415","0.0459","","","","","","1.118","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202832","4.1581","0.0004","10.7974","0.0008","12.7958","0.0019","91.102","0.011","97.913","0.012","90.912","0.008","568.81","0.11","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H14 F4 I2 N2 O4 -","- C20 H14 F4 I2 N2 O4 -","- C20 H14 F4 I2 N2 O4 -","1","0.5","","Russo, Luca; Biella, Serena; Lahtinen, Manu; Liantonio, Rosalba; Metrangolo, Pierangelo; Resnati, Giuseppe; Rissanen, Kari","Solution stoichiometry determines crystal stoichiometry in halogen-bonded supramolecular complexes","CrystEngComm","2007","9","5","341","","10.1039/b702512m","","","0.71073","MoKα","","0.022","0.0163","","","0.0365","0.0404","","","","","","1.179","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202833","14.3627","0.0014","7.0254","0.0007","16.8441","0.0016","90","","98.104","0.002","90","","1682.7","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H10 Hg N6 S2 -","- C14 H10 Hg N6 S2 -","- C56 H40 Hg4 N24 S8 -","4","0.5","","Mahmoudi, Ghodrat; Morsali, Ali; Hunter, Allen D.; Zeller, Matthias","Mercury(ii) coordination polymers generated from 1,4-bis(2 or 3 or 4-pyridyl)-2,3-diaza-1,3-butadiene ligands","CrystEngComm","2007","9","8","704","","10.1039/b702569f","","","0.71073","MoKα","","0.0174","0.0172","","","0.0425","0.0425","","","","","","1.102","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202834","16.1971","0.0007","12.6635","0.0005","7.7778","0.0003","90","","95.58","0.001","90","","1587.76","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Hg N6 S2 -","- C14 H10 Hg N6 S2 -","- C56 H40 Hg4 N24 S8 -","4","1","","Mahmoudi, Ghodrat; Morsali, Ali; Hunter, Allen D.; Zeller, Matthias","Mercury(ii) coordination polymers generated from 1,4-bis(2 or 3 or 4-pyridyl)-2,3-diaza-1,3-butadiene ligands","CrystEngComm","2007","9","8","704","","10.1039/b702569f","","","0.71073","MoKα","","0.0241","0.022","","","0.0481","0.0553","","","","","","1.139","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202835","4.9173","0.0004","23.3133","0.0017","12.9459","0.0009","90","","93.332","0.001","90","","1481.59","0.19","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 Br2 Hg N4 -","- C12 H10 Br2 Hg N4 -","- C48 H40 Br8 Hg4 N16 -","4","1","","Mahmoudi, Ghodrat; Morsali, Ali; Hunter, Allen D.; Zeller, Matthias","Mercury(ii) coordination polymers generated from 1,4-bis(2 or 3 or 4-pyridyl)-2,3-diaza-1,3-butadiene ligands","CrystEngComm","2007","9","8","704","","10.1039/b702569f","","","0.71073","MoKα","","0.0295","0.0241","","","0.0532","0.0548","","","","","","1.041","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202836","8.3698","0.0011","14.932","0.002","11.9038","0.0016","90","","90","","90","","1487.7","0.3","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H10 Br2 Hg N4 -","- C12 H10 Br2 Hg N4 -","- C48 H40 Br8 Hg4 N16 -","4","0.5","","Mahmoudi, Ghodrat; Morsali, Ali; Hunter, Allen D.; Zeller, Matthias","Mercury(ii) coordination polymers generated from 1,4-bis(2 or 3 or 4-pyridyl)-2,3-diaza-1,3-butadiene ligands","CrystEngComm","2007","9","8","704","","10.1039/b702569f","","","0.71073","MoKα","","0.0323","0.0292","","","0.0761","0.0777","","","","","","1.059","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202837","4.0783","0.0008","9.1943","0.0017","11.753","0.002","87.235","0.003","88.002","0.003","85.696","0.003","438.73","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H5 Br2 Hg N2 -","- C6 H5 Br2 Hg N2 -","- C12 H10 Br4 Hg2 N4 -","2","1","","Mahmoudi, Ghodrat; Morsali, Ali; Hunter, Allen D.; Zeller, Matthias","Mercury(ii) coordination polymers generated from 1,4-bis(2 or 3 or 4-pyridyl)-2,3-diaza-1,3-butadiene ligands","CrystEngComm","2007","9","8","704","","10.1039/b702569f","","","0.71073","MoKα","","0.0428","0.0408","","","0.1015","0.1026","","","","","","1.112","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202840","6.7478","0.0003","10.4917","0.0003","11.4993","0.0005","64.737","0.001","87.555","0.002","73.999","0.002","705.08","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H8 Ag2 N7 O6 -","- C11 H8 Ag2 N7 O6 -","- C22 H16 Ag4 N14 O12 -","2","1","","Zhang, Jian; Shen, Yi-Cheng; Qin, Ye-Yan; Li, Zhao-Ji; Yao, Yuan-Gen","Polycatenated 3-connected hydrogen-bonding bilayer stabilized by argentophilic interactions","CrystEngComm","2007","9","8","636","","10.1039/b702972a","","","0.71073","MoKα","","","0.0246","","","0.06","0.0633","","","","","","1.108","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202846","12.148","0.001","12.386","0.002","22.901","0.004","87.67","0.01","87.14","0.01","83.88","0.01","3419.7","0.9","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C150 H252 O6 -","- C150 H252 O6 -","- C150 H252 O6 -","1","0.5","","Clark, Thomas E.; Makha, Mohamed; McKinnon, Joshua J.; Sobolev, Alexandre N.; Spackman, Mark A.; Raston, Colin L.","Variable temperature Hirshfeld surface analysis of interdigitated calix[6]arene bearing O-alkyl C18 linear chains","CrystEngComm","2007","9","7","566","","10.1039/b703166c","","","0.71073","MoKα","","0.2866","0.07","","","0.0608","0.0936","","","","","","0.82","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202847","12.257","0.001","12.423","0.001","23.024","0.004","87.52","0.01","86.01","0.01","83.46","0.01","3472.4","0.7","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C150 H252 O6 -","- C150 H252 O6 -","- C150 H252 O6 -","1","0.5","","Clark, Thomas E.; Makha, Mohamed; McKinnon, Joshua J.; Sobolev, Alexandre N.; Spackman, Mark A.; Raston, Colin L.","Variable temperature Hirshfeld surface analysis of interdigitated calix[6]arene bearing O-alkyl C18 linear chains","CrystEngComm","2007","9","7","566","","10.1039/b703166c","","","0.71073","MoKα","","0.2128","0.0729","","","0.1585","0.1931","","","","","","1.117","","","","has coordinates,has disorder","180359","2020-10-21","18:00:00",""
"7202848","12.401","0.002","12.239","0.004","23.312","0.006","87.29","0.02","83.32","0.02","82.89","0.02","3485.2","1.6","300","2","300","2","","","","","","","","3","P -1","-P 1","2","","","","- C150 H252 O6 -","- C150 H252 O6 -","- C150 H252 O6 -","1","0.5","","Clark, Thomas E.; Makha, Mohamed; McKinnon, Joshua J.; Sobolev, Alexandre N.; Spackman, Mark A.; Raston, Colin L.","Variable temperature Hirshfeld surface analysis of interdigitated calix[6]arene bearing O-alkyl C18 linear chains","CrystEngComm","2007","9","7","566","","10.1039/b703166c","","","0.71073","MoKα","","0.3251","0.0604","","","0.0877","0.1174","","","","","","1","","","","has coordinates,has disorder","180359","2020-10-21","18:00:00",""
"7202849","25.512","0.0005","25.512","0.0005","12.9978","0.0004","90","","90","","90","","8459.8","0.4","100","2","100","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C69 H103 Ba Cl9 O20 U -","- C69 H98 Ba Cl9 O20 U -","- C276 H392 Ba4 Cl36 O80 U4 -","4","0.5","","Bernardo Masci; Pierre Thuéry","Versatility of {M(30-crown-10)} (M = K+, Ba2+) as a guest in UO22+ complexes of [3.1.3.1]- and [3.3.3]homooxacalixarenes","CrystEngComm","2007","9","7","582","","10.1039/b703172f","","","0.71073","MoKα","","0.0543","0.0456","","","0.1198","0.1238","","","","","","0.982","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202850","25.358","0.001","12.341","0.0009","23.866","0.0015","90","","114.062","0.004","90","","6819.7","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C74 H80 Ba O18 U -","- C74 H80 Ba O18 U -","- C296 H320 Ba4 O72 U4 -","4","1","","Bernardo Masci; Pierre Thuéry","Versatility of {M(30-crown-10)} (M = K+, Ba2+) as a guest in UO22+ complexes of [3.1.3.1]- and [3.3.3]homooxacalixarenes","CrystEngComm","2007","9","7","582","","10.1039/b703172f","","","0.71073","MoKα","","0.0765","0.0599","","","0.1524","0.1601","","","","","","1.031","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202851","13.4804","0.0006","29.3642","0.0017","21.7965","0.0012","90","","92.601","0.003","90","","8619.1","0.8","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C70 H78 Ba Br6 Cl6 O26 U2 -","- C70 H78 Ba Br6 Cl6 O26 U2 -","- C280 H312 Ba4 Br24 Cl24 O104 U8 -","4","1","","Bernardo Masci; Pierre Thuéry","Versatility of {M(30-crown-10)} (M = K+, Ba2+) as a guest in UO22+ complexes of [3.1.3.1]- and [3.3.3]homooxacalixarenes","CrystEngComm","2007","9","7","582","","10.1039/b703172f","","","0.71073","MoKα","","0.1189","0.0772","","","0.2277","0.2441","","","","","","1.081","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202852","15.223","0.003","18.754","0.003","16.684","0.003","90","","106.362","0.009","90","","4570.2","1.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C78 H96 Ba2 O22 S4 U2 -","- C78 H96 Ba2 O22 S4 U2 -","- C156 H192 Ba4 O44 S8 U4 -","2","0.5","","Bernardo Masci; Pierre Thuéry","Versatility of {M(30-crown-10)} (M = K+, Ba2+) as a guest in UO22+ complexes of [3.1.3.1]- and [3.3.3]homooxacalixarenes","CrystEngComm","2007","9","7","582","","10.1039/b703172f","","","0.71073","MoKα","","0.0954","0.0661","","","0.1727","0.1852","","","","","","0.939","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202853","12.0923","0.0007","24.6602","0.0009","25.5672","0.0016","90","","103.061","0.003","90","","7426.9","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C132 H216 K4 O48 U2 -","- C132 H216 K4 O48 U2 -","- C264 H432 K8 O96 U4 -","2","0.5","","Bernardo Masci; Pierre Thuéry","Versatility of {M(30-crown-10)} (M = K+, Ba2+) as a guest in UO22+ complexes of [3.1.3.1]- and [3.3.3]homooxacalixarenes","CrystEngComm","2007","9","7","582","","10.1039/b703172f","","","0.71073","MoKα","","0.0785","0.0505","","","0.1124","0.1208","","","","","","1.057","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202854","11.508","0.0014","19.262","0.002","20.466","0.002","108.102","0.002","104.842","0.002","91.297","0.002","4142.3","0.8","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H42 Cl2 N7 O16 Zn -","- C35 H42 Cl2 N7 O16 Zn -","- C140 H168 Cl8 N28 O64 Zn4 -","4","2","","Song, Hui-Hua; Ma, Bao-Qing","A well-resolved discrete dodecameric water cluster in a metal‒organic complex","CrystEngComm","2007","9","8","625","","10.1039/b703185h","","","0.71073","MoKα","","0.1147","0.0528","","","0.1174","0.1405","","","","","","0.942","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202855","16.5938","0.0007","15.1034","0.0006","18.0112","0.0004","90","","90","","90","","4514","0.3","110","2","110","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C32 H44 Cu N4 O27 U2 -","- C32 H36 Cu N4 O27 U2 -","- C128 H144 Cu4 N16 O108 U8 -","4","1","","Pierre Thuéry","Uranyl citrate dimers as guests in a copper?bipyridine framework: a novel heterometallic inorganic?organic hybrid compound","CrystEngComm","2007","9","5","358","","10.1039/b703227g","","","0.71073","MoKα","","0.0537","0.0472","","","0.1201","0.1232","","","","","","1.086","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202856","12.7819","0.0006","12.7819","0.0006","85.294","0.004","90","","90","","120","","12068.1","1","100","2","100","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C42 H72 N Nd7 O61 -","- C42 H40 N Nd7 O60 -","- C252 H240 N6 Nd42 O360 -","6","0.5","","Pierre Thuéry","Neodymium(iii) d(?)-citramalate: a chiral three-dimensional framework with water-filled channels","CrystEngComm","2007","9","6","460","","10.1039/b703230g","","","0.71073","MoKα","","0.081","0.0516","","","0.1146","0.1266","","","","","","0.993","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202857","6.7431","0.0005","8.0503","0.0006","13.8001","0.001","77.722","0.003","88.476","0.002","66.354","0.002","669.09","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","5-Chloro-2(3H)-benzoxazolone 2,4-dihydroxybenzoic acid","5-Chloro-2(3H)-benzoxazolone 2,4-dihydroxybenzoic acid","","- C14 H10 Cl N O6 -","- C14 H10 Cl N O6 -","- C28 H20 Cl2 N2 O12 -","2","1","","Childs, Scott L.; Hardcastle, Kenneth I.","Cocrystals of chlorzoxazone with carboxylic acids","CrystEngComm","2007","9","5","364","","10.1039/b703292g","","","1.54178","CuKα","","0.0465","0.0413","","","0.0991","0.1023","","","","","","1.067","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202859","41.574","0.008","5.7944","0.0011","16.876","0.003","90","","109.095","0.003","90","","3841.7","1.2","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H42 Co N4 O12 -","- C42 H42 Co N4 O12 -","- C168 H168 Co4 N16 O48 -","4","0.5","","Zhuang, Wenjuan; Zheng, Xiangjun; Li, Licun; Liao, Daizheng; Ma, Hui; Jin, Linpei","Structural diversity and properties of M(ii) 4-carboxyl phenoxyacetate complexes with 0D-, 1D-, 2D- and 3D M-cpoa framework","CrystEngComm","2007","9","8","653","","10.1039/b703429f","","","0.71073","MoKα","","0.1319","0.0634","","","0.1524","0.1945","","","","","","1.008","","","","has coordinates,has disorder","180359","2020-10-21","18:00:00",""
"7202860","13.931","0.002","21.777","0.002","35.14","0.006","90","","90","","90","","10661","3","294","2","294","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C27 H28 Co N3 O7 -","- C27 H28 Co N3 O7 -","- C432 H448 Co16 N48 O112 -","16","0.5","","Zhuang, Wenjuan; Zheng, Xiangjun; Li, Licun; Liao, Daizheng; Ma, Hui; Jin, Linpei","Structural diversity and properties of M(ii) 4-carboxyl phenoxyacetate complexes with 0D-, 1D-, 2D- and 3D M-cpoa framework","CrystEngComm","2007","9","8","653","","10.1039/b703429f","","","0.7107","MoKα","","0.0764","0.0721","","","0.137","0.1386","","","","","","1.307","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202861","4.7808","0.0016","9.229","0.003","18.829","0.007","91.954","0.006","95.509","0.006","99.022","0.005","815.7","0.5","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H30 Co N4 O10 -","- C38 H30 Co N4 O10 -","- C38 H30 Co N4 O10 -","1","0.5","","Zhuang, Wenjuan; Zheng, Xiangjun; Li, Licun; Liao, Daizheng; Ma, Hui; Jin, Linpei","Structural diversity and properties of M(ii) 4-carboxyl phenoxyacetate complexes with 0D-, 1D-, 2D- and 3D M-cpoa framework","CrystEngComm","2007","9","8","653","","10.1039/b703429f","","","0.71073","MoKα","","0.0757","0.0544","","","0.1299","0.145","","","","","","1.104","","","","has coordinates,has disorder","180359","2020-10-21","18:00:00",""
"7202862","7.6417","0.0019","10.106","0.003","10.638","0.003","93.557","0.004","101.146","0.004","101.551","0.004","785.4","0.4","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H36 Co2 N2 O18 -","- C28 H36 Co2 N2 O18 -","- C28 H36 Co2 N2 O18 -","1","0.5","","Zhuang, Wenjuan; Zheng, Xiangjun; Li, Licun; Liao, Daizheng; Ma, Hui; Jin, Linpei","Structural diversity and properties of M(ii) 4-carboxyl phenoxyacetate complexes with 0D-, 1D-, 2D- and 3D M-cpoa framework","CrystEngComm","2007","9","8","653","","10.1039/b703429f","","","0.71073","MoKα","","0.0686","0.0384","","","0.083","0.0958","","","","","","1.025","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202863","11.2742","0.0008","11.2742","0.0008","13.5885","0.0019","90","","90","","120","","1495.8","0.3","294","2","294","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C19 H18 N2 Ni O7 -","- C19 H18 N2 Ni O7 -","- C57 H54 N6 Ni3 O21 -","3","0.5","","Zhuang, Wenjuan; Zheng, Xiangjun; Li, Licun; Liao, Daizheng; Ma, Hui; Jin, Linpei","Structural diversity and properties of M(ii) 4-carboxyl phenoxyacetate complexes with 0D-, 1D-, 2D- and 3D M-cpoa framework","CrystEngComm","2007","9","8","653","","10.1039/b703429f","","","0.71073","MoKα","","0.0367","0.0303","","","0.0697","0.0718","","","","","","1.044","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202864","13.8794","0.0018","21.611","0.004","35.005","0.005","90","","90","","90","","10500","3","293","2","293","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C27 H28 N3 Ni O7 -","- C27 H28 N3 Ni O7 -","- C432 H448 N48 Ni16 O112 -","16","0.5","","Zhuang, Wenjuan; Zheng, Xiangjun; Li, Licun; Liao, Daizheng; Ma, Hui; Jin, Linpei","Structural diversity and properties of M(ii) 4-carboxyl phenoxyacetate complexes with 0D-, 1D-, 2D- and 3D M-cpoa framework","CrystEngComm","2007","9","8","653","","10.1039/b703429f","","","0.71073","MoKα","","0.0809","0.0622","","","0.1363","0.1447","","","","","","1.169","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202865","8.116","0.002","12.279","0.003","16.009","0.004","69.271","0.004","86.078","0.004","79.166","0.004","1465.5","0.6","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H26 N2 O11 Zn2 -","- C30 H26 N2 O11 Zn2 -","- C60 H52 N4 O22 Zn4 -","2","1","","Zhuang, Wenjuan; Zheng, Xiangjun; Li, Licun; Liao, Daizheng; Ma, Hui; Jin, Linpei","Structural diversity and properties of M(ii) 4-carboxyl phenoxyacetate complexes with 0D-, 1D-, 2D- and 3D M-cpoa framework","CrystEngComm","2007","9","8","653","","10.1039/b703429f","","","0.71073","MoKα","","0.1307","0.0533","","","0.0911","0.1223","","","","","","1.031","","","","has coordinates,has disorder","180359","2020-10-21","18:00:00",""
"7202866","30.931","0.008","9.8752","0.0013","20.37","0.003","90","","149.31","0.006","90","","3175.7","1.2","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16.5 H16 N O5.5 Zn -","- C16.5 H16 N O5.5 Zn -","- C132 H128 N8 O44 Zn8 -","8","1","","Zhuang, Wenjuan; Zheng, Xiangjun; Li, Licun; Liao, Daizheng; Ma, Hui; Jin, Linpei","Structural diversity and properties of M(ii) 4-carboxyl phenoxyacetate complexes with 0D-, 1D-, 2D- and 3D M-cpoa framework","CrystEngComm","2007","9","8","653","","10.1039/b703429f","","","0.7107","MoKα","","0.0549","0.0464","","","0.1222","0.1296","","","","","","1.085","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202867","20.595","0.004","15.012","0.003","10.363","0.002","90","","93.967","0.004","90","","3196.3","1.1","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16.5 H16 N O5.5 Zn -","- C16.5 H16 N O5.5 Zn -","- C132 H128 N8 O44 Zn8 -","8","1","","Zhuang, Wenjuan; Zheng, Xiangjun; Li, Licun; Liao, Daizheng; Ma, Hui; Jin, Linpei","Structural diversity and properties of M(ii) 4-carboxyl phenoxyacetate complexes with 0D-, 1D-, 2D- and 3D M-cpoa framework","CrystEngComm","2007","9","8","653","","10.1039/b703429f","","","0.71073","MoKα","","0.1035","0.0432","","","0.0763","0.0948","","","","","","0.97","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202868","12.8373","0.0014","11.8355","0.0013","16.975","0.002","90","","90","","90","","2579.1","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H13 N3 O2 -","- C14 H13 N3 O2 -","- C112 H104 N24 O16 -","8","1","","Barbazán, Paula; Carballo, Rosa; Vázquez-López, Ezequiel M.","Synthesis and structure of 2-acetylpyridine-salicyloylhydrazone and its copper(ii) and zinc(ii) complexes. The effect of the metal coordination on the weak intermolecular interactions","CrystEngComm","2007","9","8","668","","10.1039/b703442c","","","0.71073","MoKα","","0.2955","0.0523","","","0.0918","0.1452","","","","","","0.799","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202869","6.7539","0.0009","9.3441","0.0012","11.4902","0.0015","89.773","0.003","81.497","0.003","88.363","0.003","716.87","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H12 Br Cu N3 O2 -","- C14 H12 Br Cu N3 O2 -","- C28 H24 Br2 Cu2 N6 O4 -","2","1","","Barbazán, Paula; Carballo, Rosa; Vázquez-López, Ezequiel M.","Synthesis and structure of 2-acetylpyridine-salicyloylhydrazone and its copper(ii) and zinc(ii) complexes. The effect of the metal coordination on the weak intermolecular interactions","CrystEngComm","2007","9","8","668","","10.1039/b703442c","","","0.71073","MoKα","","0.1337","0.0491","","","0.0835","0.1028","","","","","","0.752","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202870","12.598","0.004","18.483","0.006","10.818","0.004","90","","90","","90","","2519","1.5","293","2","293","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C28 H24 N6 O4 Zn -","- C28 H24 N6 O4 Zn -","- C112 H96 N24 O16 Zn4 -","4","","","Barbazán, Paula; Carballo, Rosa; Vázquez-López, Ezequiel M.","Synthesis and structure of 2-acetylpyridine-salicyloylhydrazone and its copper(ii) and zinc(ii) complexes. The effect of the metal coordination on the weak intermolecular interactions","CrystEngComm","2007","9","8","668","","10.1039/b703442c","","","0.71073","MoKα","","0.1166","0.0512","","","0.0691","0.0788","","","","","","0.889","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202877","8.827","0.003","11.675","0.004","21.16","0.007","96.847","0.006","100.776","0.006","102.133","0.006","2065.6","1.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","[Ru(tpypy)2Ag(NO3)(MeCN)](NO3)2.H2O.MeCN","","","- C44 H36 Ag N13 O10 Ru -","- C46 H31 Ag N12 O10 Ru -","- C92 H62 Ag2 N24 O20 Ru2 -","2","1","","Beves, Jonathon E.; Constable, Edwin C.; Housecroft, Catherine E.; Kepert, Cameron J.; Price, David J.","The first example of a coordination polymer from the expanded 4,4'-bipyridine ligand [Ru(pytpy)~2~]^2+^(pytpy = 4'-(4-pyridyl)-2,2':6',2''-terpyridine)","CrystEngComm","2007","9","6","456","459","10.1039/b703622a","","","0.71073","MoKα","","0.0622","0.0465","","","0.1289","0.1399","","","","","","1.041","","","","has coordinates","275106","2022-05-06","14:46:46",""
"7202881","9.2018","0.0018","12.148","0.002","24.678","0.005","84.98","0.03","84.63","0.03","70.99","0.03","2591.9","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H56 Cl2 Cu2 N10 O15 -","- C44 H56 Cl2 Cu2 N10 O15 -","- C88 H112 Cl4 Cu4 N20 O30 -","2","1","","Zhang, Jian-Ying; Liu, Cai-Ming; Zhang, De-Qing; Gao, Song; Zhu, Dao-Ben","Magnetic properties tuned by oxamido bridging ligand derivatives in two new hybrid organic inorganic nitronyl nitroxide copper(ii) complexes","CrystEngComm","2007","9","9","799","","10.1039/b704127f","","","0.71073","MoKα","","0.092","0.0607","","","0.1502","0.1633","","","","","","0.942","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202882","16.254","0.003","13.211","0.003","11.776","0.002","90","","108.4","0.03","90","","2399.4","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H52 Cl2 Cu2 N10 O14 -","- C42 H52 Cl2 Cu2 N10 O14 -","- C84 H104 Cl4 Cu4 N20 O28 -","2","0.5","","Zhang, Jian-Ying; Liu, Cai-Ming; Zhang, De-Qing; Gao, Song; Zhu, Dao-Ben","Magnetic properties tuned by oxamido bridging ligand derivatives in two new hybrid organic inorganic nitronyl nitroxide copper(ii) complexes","CrystEngComm","2007","9","9","799","","10.1039/b704127f","","","0.71073","MoKα","","0.0924","0.0615","","","0.1604","0.1805","","","","","","1.032","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202883","13.0204","0.001","20.3203","0.0014","15.8814","0.0011","90","","90","","90","","4201.9","0.5","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C44 H34 N4 O17 Zn2 -","- C44 H32 N4 O17 Zn2 -","- C176 H128 N16 O68 Zn8 -","4","0.5","","Cao, Xin-Yi; Zhang, Jian; Li, Zhao-Ji; Cheng, Jian-Kai; Yao, Yuan-Gen","Scorpion-shaped carboxylate ligand tailored molecular square, bilayer, self-threading and (3,6)-connected nets","CrystEngComm","2007","9","9","806","","10.1039/b704294a","","","0.71073","MoKα","","","0.0894","","","0.2378","0.2753","","","","","","1.099","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202884","13.017","0.002","12.495","0.0014","14.208","0.002","90","","108.619","0.007","90","","2189.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18.66 N2 O10.33 Zn2 -","- C20 H18 N2 O10.33 Zn2 -","- C80 H72 N8 O41.32 Zn8 -","4","1","","Cao, Xin-Yi; Zhang, Jian; Li, Zhao-Ji; Cheng, Jian-Kai; Yao, Yuan-Gen","Scorpion-shaped carboxylate ligand tailored molecular square, bilayer, self-threading and (3,6)-connected nets","CrystEngComm","2007","9","9","806","","10.1039/b704294a","","","0.71073","MoKα","","","0.0513","","","0.1292","0.1376","","","","","","1.026","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202885","8.3945","0.0007","10.2207","0.0009","18.3523","0.0017","104.241","0.002","101.498","0.002","92.684","0.002","1487.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H54 Cd3 N8 O20 -","- C60 H50 Cd3 N8 O20 -","- C60 H50 Cd3 N8 O20 -","1","0.5","","Cao, Xin-Yi; Zhang, Jian; Li, Zhao-Ji; Cheng, Jian-Kai; Yao, Yuan-Gen","Scorpion-shaped carboxylate ligand tailored molecular square, bilayer, self-threading and (3,6)-connected nets","CrystEngComm","2007","9","9","806","","10.1039/b704294a","","","0.71073","MoKα","","","0.1039","","","0.2013","0.2315","","","","","","1.111","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202886","11.5513","0.0004","12.2888","0.0004","13.3152","0.0005","64.541","0.001","72.497","0.001","62.539","0.001","1501.83","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H22.67 Cd2 N4 O8.34 -","- C34 H22 Cd2 N4 O8.33 -","- C68 H44 Cd4 N8 O16.66 -","2","1","","Cao, Xin-Yi; Zhang, Jian; Li, Zhao-Ji; Cheng, Jian-Kai; Yao, Yuan-Gen","Scorpion-shaped carboxylate ligand tailored molecular square, bilayer, self-threading and (3,6)-connected nets","CrystEngComm","2007","9","9","806","","10.1039/b704294a","","","0.71073","MoKα","","","0.047","","","0.1415","0.1586","","","","","","1.006","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202887","9.424","0.018","14.37","0.03","15.4","0.03","90","","104.87","0.06","90","","2016","7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C80 H60 N8 O34 Zn8 -","- C80 H52 N8 O34 Zn8 -","- C80 H52 N8 O34 Zn8 -","1","0.25","","Cao, Xin-Yi; Zhang, Jian; Li, Zhao-Ji; Cheng, Jian-Kai; Yao, Yuan-Gen","Scorpion-shaped carboxylate ligand tailored molecular square, bilayer, self-threading and (3,6)-connected nets","CrystEngComm","2007","9","9","806","","10.1039/b704294a","","","0.71073","MoKα","","","0.0482","","","0.1286","0.1374","","","","","","1.097","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202888","5.9566","0.00013","7.0989","0.00015","7.1164","0.00015","109.5","0.017","98.39","0.017","114.69","0.017","243","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- H4 I Na O2 -","- H4 I Na O2 -","- H8 I2 Na2 O4 -","2","1","","Nelyubina, Yulia V.; Antipin, Mikhail Yu.; Lyssenko, Konstantin A.","Energy aspect of the chemical bonding peculiarities in the crystal of sodium iodide dihydrate","CrystEngComm","2007","9","8","632","","10.1039/b704326k","","","0.71073","MoKα","","0.0173","0.0166","","","0.0425","0.043","","","","","","0.993","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202891","16.634","0.002","16.634","0.002","11.234","0.002","90","","90","","120","","2691.9","0.7","293","2","293","2","","","","","","","","5","P -6 2 m","P -6 -2","189","","","","- C84 H99 N15 Ni3 O27 -","- C57.012 H33.012 N6 Ni3 O18 -","- C57.012 H33.012 N6 Ni3 O18 -","1","0.0833333","","Gao, Chaoying; Liu, Shuxia; Xie, Linhua; Ren, Yuanhang; Cao, Jianfang; Sun, Chunyan","Design and construction of a microporous metal?organic framework based on the pillared-layer motif","CrystEngComm","2007","9","7","545","","10.1039/b704433j","","","0.71073","MoKα","","0.0505","0.0472","","","0.1188","0.1206","","","","","","1.086","","","","has coordinates,has disorder","180359","2020-10-21","18:00:00",""
"7202892","16.609","0.002","16.609","0.002","14.325","0.003","90","","90","","120","","3422.3","0.9","293","2","293","2","","","","","","","","5","P 63/m c m","-P 6c 2","193","","","","- C15 H17 N2 Ni O8 -","- C15 H17 N2 Ni O8 -","- C90 H102 N12 Ni6 O48 -","6","0.25","","Gao, Chaoying; Liu, Shuxia; Xie, Linhua; Ren, Yuanhang; Cao, Jianfang; Sun, Chunyan","Design and construction of a microporous metal?organic framework based on the pillared-layer motif","CrystEngComm","2007","9","7","545","","10.1039/b704433j","","","0.71073","MoKα","","0.0586","0.0511","","","0.1416","0.1469","","","","","","1.193","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202893","7.2636","0.0018","10.409","0.003","11.639","0.003","100.486","0.003","101.062","0.003","95.619","0.003","841.1","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H9.5 Ag Eu N2.5 O9 -","- C17 H6 Ag Eu N2.5 O9 -","- C34 H12 Ag2 Eu2 N5 O18 -","2","1","","Gu, Xiaojun; Xue, Dongfeng","Self-assembly of 3-D 4d?4f coordination frameworks based on 1-D inorganic heterometallic chains and linear organic linkers","CrystEngComm","2007","9","6","471","","10.1039/b704544a","","","0.71073","MoKα","","0.0319","0.0308","","","0.0787","0.0794","","","","","","1.053","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202894","7.35","0.003","10.453","0.004","11.652","0.004","100.265","0.005","101.038","0.004","96.057","0.005","855.5","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H9.5 Ag N2.5 Nd O9 -","- C17 H6 Ag N2.5 Nd O9 -","- C34 H12 Ag2 N5 Nd2 O18 -","2","1","","Gu, Xiaojun; Xue, Dongfeng","Self-assembly of 3-D 4d?4f coordination frameworks based on 1-D inorganic heterometallic chains and linear organic linkers","CrystEngComm","2007","9","6","471","","10.1039/b704544a","","","0.71073","MoKα","","0.0708","0.0515","","","0.1171","0.1282","","","","","","1.051","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202895","20.07","0.004","8.8346","0.0019","22.339","0.005","90","","90","","90","","3960.9","1.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H12 Ag N3 Nd O7.5 -","- C18 H11 Ag N3 Nd O7.5 -","- C144 H88 Ag8 N24 Nd8 O60 -","8","1","","Gu, Xiaojun; Xue, Dongfeng","Self-assembly of 3-D 4d?4f coordination frameworks based on 1-D inorganic heterometallic chains and linear organic linkers","CrystEngComm","2007","9","6","471","","10.1039/b704544a","","","0.71073","MoKα","","0.0599","0.0338","","","0.0721","0.0818","","","","","","1.008","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202896","19.954","0.002","8.8187","0.0009","22.344","0.002","90","","90","","90","","3931.8","0.7","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H12 Ag Eu N3 O7.5 -","- C18 H11 Ag Eu N3 O7.5 -","- C144 H88 Ag8 Eu8 N24 O60 -","8","1","","Gu, Xiaojun; Xue, Dongfeng","Self-assembly of 3-D 4d?4f coordination frameworks based on 1-D inorganic heterometallic chains and linear organic linkers","CrystEngComm","2007","9","6","471","","10.1039/b704544a","","","0.71073","MoKα","","0.0303","0.0231","","","0.0553","0.0584","","","","","","1.018","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202897","4.229","0.0008","14.112","0.003","23.312","0.005","90","","90","","90","","1391.3","0.5","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H6 F3 I2 N -","- C13 H6 F3 I2 N -","- C52 H24 F12 I8 N4 -","4","1","","André C. B. Lucassen; Tatiana Zubkov; Linda J. W. Shimon; Milko E. van der Boom","Design, synthesis and crystal structure of a multiple donor?acceptor halogen bonded stilbazole: assembly of unimolecular interconnected helices","CrystEngComm","2007","9","7","538","","10.1039/b704569g","","","0.71073","MoKα","","0.0382","0.0294","","","0.0588","0.0613","","","","","","1.077","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202898","24.2053","0.0005","3.7445","0.0001","20.9542","0.0007","90","","121.315","0.0011","90","","1622.55","0.08","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-(4-Pyridyl)malondialdehyde Sesquihydrate","","- C8 H10 N O3.5 -","- C8 H10 N O3.5 -","- C64 H80 N8 O28 -","8","1","","Tovee, Clare A.; Kilner, Colin A.; Thomas, Jim A.; Halcrow, Malcolm A.","Zwitterionic 2-(4-pyridyl)malondialdehyde sesquihydrate forms a helical, 3-D hydrogen-bonded lattice","CrystEngComm","2007","9","5","361","","10.1039/b704626j","","","0.71073","MoKα","","0.0753","0.0534","","","0.136","0.1556","","","","","","1.043","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202899","9.6313","0.0009","10.9526","0.001","11.6996","0.0012","66.761","0.009","79.294","0.008","68.581","0.009","1054.5","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H21 F6 N2 P -","- C21 H21 F6 N2 P -","- C42 H42 F12 N4 P2 -","2","1","","Ruiz, Blanca; Coe, Benjamin J.; Gianotti, Reto; Gramlich, Volker; Jazbinsek, Mojca; Günter, Peter","Polymorphism, crystal growth and characterization of an organic nonlinear optical material: DAPSH","CrystEngComm","2007","9","9","772","","10.1039/b704737a","","","0.71073","MoKα","","0.108","0.0861","","","0.2592","0.2887","","","","","","1.106","","","","has coordinates,has disorder","180359","2020-10-21","18:00:00",""
"7202900","23.264","0.002","7.6256","0.001","35.89","0.004","90","","105.85","0.009","90","","6124.9","1.2","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 F6 N2 O0 P -","- C21 H21 F6 N2 P -","- C252 H252 F72 N24 P12 -","12","3","","Ruiz, Blanca; Coe, Benjamin J.; Gianotti, Reto; Gramlich, Volker; Jazbinsek, Mojca; Günter, Peter","Polymorphism, crystal growth and characterization of an organic nonlinear optical material: DAPSH","CrystEngComm","2007","9","9","772","","10.1039/b704737a","","","0.71073","MoKα","","0.3874","0.1553","","","0.3409","0.4715","","","","","","0.969","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202906","7.0693","0.0002","9.4904","0.0003","17.7697","0.0004","90","","90.844","0.002","90","","1192.05","0.06","120","2","120","2","","","","","","","Pepe","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H16 B9 Co -","- C7 H16 B9 Co -","- C28 H64 B36 Co4 -","4","1","","Planas, José Giner; Viñas, Clara; Teixidor, Francesc; Light, Mark E.; Hursthouse, Michael B.","Polymorphism and phase transformations in cobaltacarborane molecular crystals","CrystEngComm","2007","9","10","888","","10.1039/b704833e","","","0.71073","MoKα","","0.038","0.0318","","","0.0942","0.1005","","","","","","1.017","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202909","11.5009","0.0008","9.8934","0.0005","14.9322","0.0011","90","","112.168","0.001","90","","1573.44","0.18","173","2","173","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C20 H24 O2 -","- C20 H24 O2 -","- C80 H96 O8 -","4","1","","Yoshizawa, Kazuhiro; Toyota, Shinji; Toda, Fumio; Kato, Masako; Csöregh, Ingeborg","A new organic zeolite created by molecular aggregation of 1,1-bis(3,4-dihydroxyphenyl)cyclohexane in the solid state","CrystEngComm","2007","9","9","786","","10.1039/b705163h","","","0.7107","MoKα","","0.0425","0.0389","","","0.091","0.0939","","","","","","1.074","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202910","10.146","0.002","17.455","0.002","12.088","0.002","90","","110.9","0.02","90","","1999.9","0.6","298","2","298","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","1,1-bis(cathecolyl)cyclohexane.benzene (1:1) complex","1,1-bis(cathecolyl)cyclohexane.benzene (1:1) complex","","- C24 H26 O4 -","- C24 H25.364 O4 -","- C96 H101.456 O16 -","4","1","","Yoshizawa, Kazuhiro; Toyota, Shinji; Toda, Fumio; Kato, Masako; Csöregh, Ingeborg","A new organic zeolite created by molecular aggregation of 1,1-bis(3,4-dihydroxyphenyl)cyclohexane in the solid state","CrystEngComm","2007","9","9","786","","10.1039/b705163h","","","0.71073","MoKα","","0.0915","0.0532","","","0.1282","0.1452","","","","","","0.937","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202911","10.263","0.004","12.628","0.004","17.701","0.006","93.276","0.004","96.005","0.003","107.958","0.005","2160.6","1.3","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H30 O4 -","- C26 H30 O4 -","- C104 H120 O16 -","4","2","","Yoshizawa, Kazuhiro; Toyota, Shinji; Toda, Fumio; Kato, Masako; Csöregh, Ingeborg","A new organic zeolite created by molecular aggregation of 1,1-bis(3,4-dihydroxyphenyl)cyclohexane in the solid state","CrystEngComm","2007","9","9","786","","10.1039/b705163h","","","0.7107","MoKα","","0.066","0.048","","","0.1308","0.1392","","","","","","1.102","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202914","5.9129","0.0007","13.4826","0.0016","15.6657","0.0018","72.973","0.002","79.228","0.002","83.562","0.002","1170.9","0.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H30 N2 O3 -","- C28 H30 N2 O3 -","- C56 H60 N4 O6 -","2","1","","Imai, Yoshitane; Kawaguchi, Kakuhiro; Asai, Katuzo; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio","Chiral channel-like cavity which is tunable via changes in 21-column packing structure","CrystEngComm","2007","9","6","467","","10.1039/b705641a","","","0.71073","MoKα","","0.0972","0.0607","","","0.138","0.1688","","","","","","1.049","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202915","36.231","0.003","5.5605","0.0005","12.3394","0.0011","90","","92.661","0.002","90","","2483.2","0.4","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C29 H32 N2 O3 -","- C29 H32 N2 O3 -","- C116 H128 N8 O12 -","4","1","","Imai, Yoshitane; Kawaguchi, Kakuhiro; Asai, Katuzo; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio","Chiral channel-like cavity which is tunable via changes in 21-column packing structure","CrystEngComm","2007","9","6","467","","10.1039/b705641a","","","0.71073","MoKα","","0.0453","0.0417","","","0.1031","0.1057","","","","","","1.039","","","","has coordinates,has disorder","180360","2020-10-21","18:00:00",""
"7202916","36.599","0.006","5.6822","0.0009","12.545","0.002","90","","90.891","0.003","90","","2608.6","0.7","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C30 H34 N2 O3 -","- C30 H33 N2 O3 -","- C120 H132 N8 O12 -","4","1","","Imai, Yoshitane; Kawaguchi, Kakuhiro; Asai, Katuzo; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio","Chiral channel-like cavity which is tunable via changes in 21-column packing structure","CrystEngComm","2007","9","6","467","","10.1039/b705641a","","","0.71073","MoKα","","0.1499","0.0779","","","0.1861","0.2262","","","","","","1.043","","","","has coordinates,has disorder","180360","2020-10-21","18:00:00",""
"7202917","36.751","0.008","5.6734","0.0012","12.304","0.003","90","","90.865","0.007","90","","2565.1","1","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C31 H29 N2 O3 -","- C31 H35 N2 O3 -","- C124 H140 N8 O12 -","4","1","","Imai, Yoshitane; Kawaguchi, Kakuhiro; Asai, Katuzo; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio","Chiral channel-like cavity which is tunable via changes in 21-column packing structure","CrystEngComm","2007","9","6","467","","10.1039/b705641a","","","0.71073","MoKα","","0.115","0.0874","","","0.229","0.2541","","","","","","1.024","","","","has coordinates,has disorder","180360","2020-10-21","18:00:00",""
"7202918","12.2472","0.0013","5.6733","0.0006","20.771","0.002","90","","105.388","0.002","90","","1391.5","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H38 N2 O3 -","- C32 H38 N2 O3 -","- C64 H76 N4 O6 -","2","1","","Imai, Yoshitane; Kawaguchi, Kakuhiro; Asai, Katuzo; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio","Chiral channel-like cavity which is tunable via changes in 21-column packing structure","CrystEngComm","2007","9","6","467","","10.1039/b705641a","","","0.71073","MoKα","","0.0649","0.0547","","","0.1117","0.117","","","","","","1.036","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202919","7.7477","0.0008","18.698","0.002","5.7744","0.0006","90","","90","","90","","836.52","0.15","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C7 H5 N O6 Zn2 -","- C7 H5 N O6 Zn2 -","- C28 H20 N4 O24 Zn8 -","4","1","","Li, Zhi-Gang; Wang, Guan-Hua; Jia, Heng-Qing; Hu, Ning-Hai; Xu, Jing-Wei","Supramolecular isomerism in zinc hydroxide coordination polymers with pyridine-2,4-dicarboxylic acid: Two polymorphs with centrosymmetric two-dimensional and acentric three-dimensional coordination networks","CrystEngComm","2007","9","10","882","","10.1039/b705735k","","","0.71073","MoKα","","0.0259","0.0244","","","0.0614","0.062","","","","","","1.044","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202920","9.3424","0.0011","6.7836","0.0008","13.9741","0.0017","90","","100.688","0.002","90","","870.25","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H5 N O6 Zn2 -","- C7 H5 N O6 Zn2 -","- C28 H20 N4 O24 Zn8 -","4","1","","Li, Zhi-Gang; Wang, Guan-Hua; Jia, Heng-Qing; Hu, Ning-Hai; Xu, Jing-Wei","Supramolecular isomerism in zinc hydroxide coordination polymers with pyridine-2,4-dicarboxylic acid: Two polymorphs with centrosymmetric two-dimensional and acentric three-dimensional coordination networks","CrystEngComm","2007","9","10","882","","10.1039/b705735k","","","0.71073","MoKα","","0.0359","0.0279","","","0.0712","0.076","","","","","","1.098","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202921","9.3365","0.0011","6.7815","0.0008","13.9607","0.0016","90","","100.704","0.002","90","","868.55","0.18","153","1","153","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H5 N O6 Zn2 -","- C7 H5 N O6 Zn2 -","- C28 H20 N4 O24 Zn8 -","4","1","","Li, Zhi-Gang; Wang, Guan-Hua; Jia, Heng-Qing; Hu, Ning-Hai; Xu, Jing-Wei","Supramolecular isomerism in zinc hydroxide coordination polymers with pyridine-2,4-dicarboxylic acid: Two polymorphs with centrosymmetric two-dimensional and acentric three-dimensional coordination networks","CrystEngComm","2007","9","10","882","","10.1039/b705735k","","","0.71073","MoKα","","0.0323","0.0256","","","0.0639","0.0675","","","","","","1.008","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202922","7.6827","0.0006","18.7212","0.0014","5.7833","0.0004","90","","90","","90","","831.81","0.11","153","1","153","1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C7 H5 N O6 Zn2 -","- C7 H5 N O6 Zn2 -","- C28 H20 N4 O24 Zn8 -","4","1","","Li, Zhi-Gang; Wang, Guan-Hua; Jia, Heng-Qing; Hu, Ning-Hai; Xu, Jing-Wei","Supramolecular isomerism in zinc hydroxide coordination polymers with pyridine-2,4-dicarboxylic acid: Two polymorphs with centrosymmetric two-dimensional and acentric three-dimensional coordination networks","CrystEngComm","2007","9","10","882","","10.1039/b705735k","","","0.71073","MoKα","","0.0213","0.0207","","","0.0554","0.0556","","","","","","1.089","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202923","8.3945","0.0008","15.806","0.0016","14.8833","0.0015","90","","100.332","0.002","90","","1942.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H22 Co N3 O11 -","- C15 H22 Co N3 O11 -","- C60 H88 Co4 N12 O44 -","4","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","Conformation dependent network structures in the coordination polymers derived from pyridylisonicotinamides, carboxylates and Co(ii): Entrapment of (H2O)14 water cluster of an unprecedented topology","CrystEngComm","2007","9","10","895","","10.1039/b705851a","","","0.71073","MoKα","","0.0778","0.0531","","","0.1179","0.1298","","","","","","1.006","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202924","8.8363","0.0013","10.4211","0.0016","10.8556","0.0016","78.769","0.003","75.255","0.003","68.71","0.003","894.9","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H20 Co N3 O10 -","- C15 H20 Co N3 O10 -","- C30 H40 Co2 N6 O20 -","2","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","Conformation dependent network structures in the coordination polymers derived from pyridylisonicotinamides, carboxylates and Co(ii): Entrapment of (H2O)14 water cluster of an unprecedented topology","CrystEngComm","2007","9","10","895","","10.1039/b705851a","","","0.71073","MoKα","","0.1037","0.065","","","0.1573","0.1989","","","","","","1.067","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202925","14.887","0.0013","11.8596","0.001","13.9457","0.0012","90","","115.344","0.001","90","","2225.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H26 Co N3 O12 -","- C19 H26 Co N3 O12 -","- C76 H104 Co4 N12 O48 -","4","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","Conformation dependent network structures in the coordination polymers derived from pyridylisonicotinamides, carboxylates and Co(ii): Entrapment of (H2O)14 water cluster of an unprecedented topology","CrystEngComm","2007","9","10","895","","10.1039/b705851a","","","0.71073","MoKα","","0.0564","0.0451","","","0.102","0.1067","","","","","","1.087","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202926","14.228","0.002","14.831","0.003","14.954","0.003","61.237","0.003","79.335","0.003","66.117","0.003","2529.1","0.8","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H37 Co2 N6 O28 -","- C38 H37 Co2 N6 O28 -","- C76 H74 Co4 N12 O56 -","2","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","Conformation dependent network structures in the coordination polymers derived from pyridylisonicotinamides, carboxylates and Co(ii): Entrapment of (H2O)14 water cluster of an unprecedented topology","CrystEngComm","2007","9","10","895","","10.1039/b705851a","","","0.71073","MoKα","","0.1492","0.0913","","","0.2158","0.2563","","","","","","1.05","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202927","7.4425","0.0011","14.654","0.002","14.796","0.003","114.311","0.01","102.45","0.011","95.86","0.014","1402.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H32 Co N2 O20 -","- C20 H32 Co N2 O20 -","- C40 H64 Co2 N4 O40 -","2","1","","Fabelo, Oscar; Pasán, Jorge; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Structural versatility in cobalt(ii) complexes with 1,2,4,5-benzenetetracarboxylic acid (H4bta) and 4,4′-bipyridine-N,N′-dioxide (dpo)","CrystEngComm","2007","9","9","815","","10.1039/b706035c","","x-ray","0.71073","MoKα","","0.0923","0.0615","","","0.1331","0.1532","","","","","","1.217","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202928","8.4119","0.0014","8.5298","0.0009","13.321","0.003","85.328","0.011","76.027","0.014","80.489","0.013","913.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H21 Co N2 O12 -","- C15 H21 Co N2 O12 -","- C30 H42 Co2 N4 O24 -","2","1","","Fabelo, Oscar; Pasán, Jorge; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Structural versatility in cobalt(ii) complexes with 1,2,4,5-benzenetetracarboxylic acid (H4bta) and 4,4′-bipyridine-N,N′-dioxide (dpo)","CrystEngComm","2007","9","9","815","","10.1039/b706035c","","x-ray","0.71073","MoKα","","0.0692","0.0368","","","0.0665","0.0738","","","","","","1.007","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202929","7.6523","0.0008","9.522","0.001","10.7629","0.0008","112.019","0.006","92.828","0.007","100.95","0.009","707.51","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 Co N4 O14 -","- C30 H24 Co N4 O14 -","- C30 H24 Co N4 O14 -","1","0.5","","Fabelo, Oscar; Pasán, Jorge; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Structural versatility in cobalt(ii) complexes with 1,2,4,5-benzenetetracarboxylic acid (H4bta) and 4,4′-bipyridine-N,N′-dioxide (dpo)","CrystEngComm","2007","9","9","815","","10.1039/b706035c","","x-ray","0.71073","MoKα","","0.0319","0.0257","","","0.0607","0.0635","","","","","","1.133","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202930","10.9277","0.0009","11.1926","0.0006","12.7187","0.0009","90","","97.006","0.006","90","","1544","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 Co N2 O9 -","- C15 H15 Co N2 O9 -","- C60 H60 Co4 N8 O36 -","4","1","","Fabelo, Oscar; Pasán, Jorge; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Structural versatility in cobalt(ii) complexes with 1,2,4,5-benzenetetracarboxylic acid (H4bta) and 4,4′-bipyridine-N,N′-dioxide (dpo)","CrystEngComm","2007","9","9","815","","10.1039/b706035c","","x-ray","0.71073","MoKα","","0.1257","0.0594","","","0.0785","0.0923","","","","","","1.104","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202931","21.8492","0.0012","21.8492","0.0012","7.3635","0.0009","90","","90","","90","","3515.2","0.5","100","2","100","2","","","","","","","","4","I 41/a :2","-I 4ad","88","Tetrakis-(4-sulfonatophenyl)methane","Tetrakis-(4-sulfonatophenyl)methane","","- C50 H32 O44 S8 -","- C50 H32 O44 S8 -","- C100 H64 O88 S16 -","2","0.125","","Sarma, Bipul; Nangia, Ashwini","Tetrakis(4-sulfophenyl)methane dodecahydrate. Reversible and selective water inclusion and release in an organic host","CrystEngComm","2007","9","8","628","","10.1039/b706194c","","","0.71073","MoKα","","0.1272","0.0818","","","0.1821","0.2067","","","","","","1.084","","","","has coordinates,has disorder","180360","2020-10-21","18:00:00",""
"7202932","29.62","0.015","8.458","0.004","13.838","0.007","90","","90","","90","","3467","3","218","2","218","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C20 H40 N4 O8 S8 Zn2 -","- C20 H40 N4 O8 S8 Zn2 -","- C80 H160 N16 O32 S32 Zn8 -","4","0.5","","Benson, Ronald E.; Ellis, Carol A.; Lewis, Clairissa E.; Tiekink, Edward R.T.","3D-, 2D- and 1D-supramolecular structures of {Zn[S2CN(CH2CH2OH)R]2}2 and their {Zn[S2CN(CH2CH2OH)R]2}2(4,4′-bipyridine) adducts for R = CH2CH2OH, Me or Et: polymorphism and pseudo-polymorphism","CrystEngComm","2007","9","10","930","","10.1039/b706442j","","","0.71069","MoKα","","0.041","0.036","","","0.086","0.089","","","","","","1.17","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202933","8.3821","0.0015","11.6432","0.0018","16.978","0.004","90","","102.926","0.005","90","","1615","0.5","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H40 N4 O4 S8 Zn2 -","- C20 H39.14 N4 O4 S8 Zn2 -","- C40 H78.28 N8 O8 S16 Zn4 -","2","0.5","","Benson, Ronald E.; Ellis, Carol A.; Lewis, Clairissa E.; Tiekink, Edward R.T.","3D-, 2D- and 1D-supramolecular structures of {Zn[S2CN(CH2CH2OH)R]2}2 and their {Zn[S2CN(CH2CH2OH)R]2}2(4,4′-bipyridine) adducts for R = CH2CH2OH, Me or Et: polymorphism and pseudo-polymorphism","CrystEngComm","2007","9","10","930","","10.1039/b706442j","","","0.7107","MoKα","","0.049","0.048","","","0.123","0.123","","","","","","1.08","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7202934","10.47","0.004","12.345","0.006","12.615","0.006","95.483","0.013","96.282","0.01","100.576","0.011","1582","1.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H36 N4 O5 S8 Zn2 -","- C17 H36 N4 O5 S8 Zn2 -","- C34 H72 N8 O10 S16 Zn4 -","2","1","","Benson, Ronald E.; Ellis, Carol A.; Lewis, Clairissa E.; Tiekink, Edward R.T.","3D-, 2D- and 1D-supramolecular structures of {Zn[S2CN(CH2CH2OH)R]2}2 and their {Zn[S2CN(CH2CH2OH)R]2}2(4,4′-bipyridine) adducts for R = CH2CH2OH, Me or Et: polymorphism and pseudo-polymorphism","CrystEngComm","2007","9","10","930","","10.1039/b706442j","","","0.7107","MoKα","","0.087","0.069","","","0.151","0.163","","","","","","1.14","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202935","11.249","0.004","13.214","0.005","15.581","0.006","105.335","0.003","105.092","0.004","93.881","0.005","2133.2","1.4","218","2","218","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H48 N6 O8 S8 Zn2 -","- C30 H47.64 N6 O8 S8 Zn2 -","- C60 H95.28 N12 O16 S16 Zn4 -","2","1","","Benson, Ronald E.; Ellis, Carol A.; Lewis, Clairissa E.; Tiekink, Edward R.T.","3D-, 2D- and 1D-supramolecular structures of {Zn[S2CN(CH2CH2OH)R]2}2 and their {Zn[S2CN(CH2CH2OH)R]2}2(4,4′-bipyridine) adducts for R = CH2CH2OH, Me or Et: polymorphism and pseudo-polymorphism","CrystEngComm","2007","9","10","930","","10.1039/b706442j","","","0.71069","MoKα","","0.07","0.05","","","0.106","0.118","","","","","","1.06","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7202936","11.074","0.006","13.249","0.005","15.35","0.006","104.546","0.007","107.095","0.015","92.74","0.008","2065.6","1.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H48 N6 O4 S8 Zn2 -","- C30 H48 N6 O4 S8 Zn2 -","- C60 H96 N12 O8 S16 Zn4 -","2","1","","Benson, Ronald E.; Ellis, Carol A.; Lewis, Clairissa E.; Tiekink, Edward R.T.","3D-, 2D- and 1D-supramolecular structures of {Zn[S2CN(CH2CH2OH)R]2}2 and their {Zn[S2CN(CH2CH2OH)R]2}2(4,4′-bipyridine) adducts for R = CH2CH2OH, Me or Et: polymorphism and pseudo-polymorphism","CrystEngComm","2007","9","10","930","","10.1039/b706442j","","","0.7107","MoKα","","0.064","0.059","","","0.162","0.168","","","","","","1.1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202937","9.5416","0.0018","11.309","0.002","11.418","0.002","75.64","0.004","73.016","0.004","85.238","0.004","1141.4","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H56 N6 O6 S8 Zn2 -","- C32 H56 N6 O6 S8 Zn2 -","- C32 H56 N6 O6 S8 Zn2 -","1","0.5","","Benson, Ronald E.; Ellis, Carol A.; Lewis, Clairissa E.; Tiekink, Edward R.T.","3D-, 2D- and 1D-supramolecular structures of {Zn[S2CN(CH2CH2OH)R]2}2 and their {Zn[S2CN(CH2CH2OH)R]2}2(4,4′-bipyridine) adducts for R = CH2CH2OH, Me or Et: polymorphism and pseudo-polymorphism","CrystEngComm","2007","9","10","930","","10.1039/b706442j","","","0.71069","MoKα","","0.05","0.041","","","0.103","0.111","","","","","","1.03","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202938","8.6591","0.0007","14.0066","0.0011","15.5984","0.0013","90","","97.409","0.002","90","","1876","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H40 N6 O4 S8 Zn2 -","- C26 H40 N6 O4 S8 Zn2 -","- C52 H80 N12 O8 S16 Zn4 -","2","0.5","","Benson, Ronald E.; Ellis, Carol A.; Lewis, Clairissa E.; Tiekink, Edward R.T.","3D-, 2D- and 1D-supramolecular structures of {Zn[S2CN(CH2CH2OH)R]2}2 and their {Zn[S2CN(CH2CH2OH)R]2}2(4,4′-bipyridine) adducts for R = CH2CH2OH, Me or Et: polymorphism and pseudo-polymorphism","CrystEngComm","2007","9","10","930","","10.1039/b706442j","","","0.71069","MoKα","","0.04","0.032","","","0.068","0.071","","","","","","1.05","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7202939","5.4669","0.0013","9.497","0.002","11.694","0.003","83.366","0.003","89.406","0.004","77.092","0.004","587.8","0.2","293","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H30 N4 O14 P4 -","- C14 H30 N4 O14 P4 -","- C14 H30 N4 O14 P4 -","1","0.5","","Wu, Simin; Chen, Shuoping; Li, Ming; Xiang, Jiangfeng; Xiao, Yong; Yuan, Liangjie","Self-assembly of organic acid‒base compounds from 2-D layered network to 3-D supramolecular framework: synthesis, structure and photoluminescence","CrystEngComm","2007","9","10","907","","10.1039/b706485c","","","0.71073","MoKα","","0.0579","0.0545","","","0.1569","0.1579","","","","","","1.172","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202940","7.0561","0.0006","9.9086","0.0008","13.0837","0.001","83.777","0.001","79.444","0.001","85.213","0.001","892.09","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H21 N3 O8 P2 -","- C14 H19 N3 O8 P2 -","- C28 H38 N6 O16 P4 -","2","1","","Wu, Simin; Chen, Shuoping; Li, Ming; Xiang, Jiangfeng; Xiao, Yong; Yuan, Liangjie","Self-assembly of organic acid‒base compounds from 2-D layered network to 3-D supramolecular framework: synthesis, structure and photoluminescence","CrystEngComm","2007","9","10","907","","10.1039/b706485c","","","0.71073","MoKα","","0.0539","0.0482","","","0.1295","0.1356","","","","","","1.024","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202941","7.4045","0.0005","11.7344","0.0008","12.485","0.0008","74.149","0.001","85.389","0.001","72.903","0.001","997.42","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H24 N3 O11 P3 -","- C13 H24 N3 O11 P3 -","- C26 H48 N6 O22 P6 -","2","1","","Wu, Simin; Chen, Shuoping; Li, Ming; Xiang, Jiangfeng; Xiao, Yong; Yuan, Liangjie","Self-assembly of organic acid‒base compounds from 2-D layered network to 3-D supramolecular framework: synthesis, structure and photoluminescence","CrystEngComm","2007","9","10","907","","10.1039/b706485c","","","0.71073","MoKα","","0.0388","0.035","","","0.0969","0.1004","","","","","","1.063","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202942","7.2243","0.0005","12.3575","0.0008","13.2057","0.0009","80.957","0.001","89.559","0.001","78.953","0.001","1142.4","0.13","293","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H28 N3 O13 P3 -","- C15 H26 N3 O13 P3 -","- C30 H52 N6 O26 P6 -","2","1","","Wu, Simin; Chen, Shuoping; Li, Ming; Xiang, Jiangfeng; Xiao, Yong; Yuan, Liangjie","Self-assembly of organic acid‒base compounds from 2-D layered network to 3-D supramolecular framework: synthesis, structure and photoluminescence","CrystEngComm","2007","9","10","907","","10.1039/b706485c","","","0.71073","MoKα","","0.0398","0.0373","","","0.1062","0.1083","","","","","","1.058","","","","has coordinates,has disorder","180360","2020-10-21","18:00:00",""
"7202943","7.596","0.006","12.988","0.011","20.897","0.017","100.891","0.011","95.406","0.01","95.522","0.01","2002","3","143.1","","","","","","","","","","","4","P -1","-P 1","2","4-Amino-1-(3,5-bis-(1-oxyl-3-oxido-4,4,5,5-tetramethyl- imidazolidin-2-yl)-benzyl)-1H-pyrimidin-2-one 2-amino-9-butyl-1,9- dihydro-purin-6-one","","","- C36 H52 N12 O7 -","- C36 H51 N12 O7 -","- C72 H102 N24 O14 -","2","1","","Tanaka, Hiroyuki; Shiomi, Daisuke; Ise, Tomoaki; Sato, Kazunobu; Takui, Takeji","Cytosine‒guanine base pairing in a hydrogen-bonded complex of stable open-shell molecules with S = 1 spins","CrystEngComm","2007","9","9","767","","10.1039/b706521n","","","0.7107","MoKα","","","0.0999","","","","0.2666","","","","","","1.001","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202945","8.7001","0.0002","10.0485","0.0002","14.2342","0.0003","105.956","0.0012","94.3267","0.0012","107.717","0.0012","1122.38","0.04","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H22 Ag Cl N2 O6 -","- C22 H22 Ag Cl N2 O6 -","- C44 H44 Ag2 Cl2 N4 O12 -","2","1","","Patra, Goutam K.; Goldberg, Israel; De, Senjuti; Datta, Dipankar","Effect of the size of discrete anions on the nuclearity of a complex cation","CrystEngComm","2007","9","9","828","","10.1039/b706781j","","","0.71073","MoKα","","0.0574","0.0355","","","0.0801","0.0892","","","","","","1.033","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202946","11.2181","0.0002","11.614","0.0001","13.7958","0.0002","77.7882","0.0005","81.4908","0.0005","76.7651","0.0005","1700.7","0.04","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H28 Ag F3 N4 O3 S -","- C41 H28 Ag F3 N4 O3 S -","- C82 H56 Ag2 F6 N8 O6 S2 -","2","1","","Patra, Goutam K.; Goldberg, Israel; De, Senjuti; Datta, Dipankar","Effect of the size of discrete anions on the nuclearity of a complex cation","CrystEngComm","2007","9","9","828","","10.1039/b706781j","","","0.71073","MoKα","","0.036","0.0287","","","0.0686","0.0724","","","","","","1.003","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202947","13.729","0.0002","17.3654","0.0002","8.5825","0.0004","90","","90","","90","","2046.15","0.1","110","2","110","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C42 H32 Ag2 B2 F8 N4 O3 -","- C42 H32 Ag2 B2 F8 N4 O3 -","- C84 H64 Ag4 B4 F16 N8 O6 -","2","0.5","","Patra, Goutam K.; Goldberg, Israel; De, Senjuti; Datta, Dipankar","Effect of the size of discrete anions on the nuclearity of a complex cation","CrystEngComm","2007","9","9","828","","10.1039/b706781j","","","0.71073","MoKα","","0.0331","0.0307","","","0.0773","0.0794","","","","","","1.075","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202948","11.1133","0.0003","12.2933","0.0002","13.1444","0.0003","74.591","0.0014","83.1028","0.0011","74.0146","0.0012","1662.15","0.07","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H28 Ag F3 N4 O2 -","- C42 H28 Ag F3 N4 O2 -","- C84 H56 Ag2 F6 N8 O4 -","2","1","","Patra, Goutam K.; Goldberg, Israel; De, Senjuti; Datta, Dipankar","Effect of the size of discrete anions on the nuclearity of a complex cation","CrystEngComm","2007","9","9","828","","10.1039/b706781j","","","0.71073","MoKα","","0.038","0.0317","","","0.0705","0.074","","","","","","1.039","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202949","13.3039","0.0002","7.0004","0.0001","21.1996","0.0004","90","","96.5097","0.0007","90","","1961.64","0.06","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 Ag2 N4 O6 -","- C20 H14 Ag2 N4 O6 -","- C80 H56 Ag8 N16 O24 -","4","1","","Patra, Goutam K.; Goldberg, Israel; De, Senjuti; Datta, Dipankar","Effect of the size of discrete anions on the nuclearity of a complex cation","CrystEngComm","2007","9","9","828","","10.1039/b706781j","","","0.71073","MoKα","","0.0469","0.0357","","","0.0849","0.0908","","","","","","1.085","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202950","10.6509","0.0005","15.9095","0.0008","7.248","0.0004","90","","93.044","0.005","90","","1226.44","0.11","100","0.2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 Hg N14 O2 -","- C24 H16 Hg N14 O2 -","- C48 H32 Hg2 N28 O4 -","2","0.5","","Mahmoudi, Ghodrat; Morsali, Ali","Counter-ion influence on the coordination mode of the 2,5-bis(4-pyridyl)-1,3,4-oxadiazole (bpo) ligand in mercury(ii) coordination polymers, [Hg(bpo)nX2]: X = I‒, Br‒, SCN‒, N3‒ and NO2‒; spectroscopic, thermal, fluorescence and structural studies","CrystEngComm","2007","9","11","1062","","10.1039/b707228g","","","0.71073","MoKα","","0.0351","0.0303","","","0.0744","0.079","","","","","","1.033","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202951","34.493","0.004","5.921","0.0007","18.57","0.002","90","","121.566","0.001","90","","3231.4","0.6","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H8 Hg N6 O S2 -","- C14 H8 Hg N6 O S2 -","- C112 H64 Hg8 N48 O8 S16 -","8","1","","Mahmoudi, Ghodrat; Morsali, Ali","Counter-ion influence on the coordination mode of the 2,5-bis(4-pyridyl)-1,3,4-oxadiazole (bpo) ligand in mercury(ii) coordination polymers, [Hg(bpo)nX2]: X = I‒, Br‒, SCN‒, N3‒ and NO2‒; spectroscopic, thermal, fluorescence and structural studies","CrystEngComm","2007","9","11","1062","","10.1039/b707228g","","","0.71073","MoKα","","0.0402","0.0312","","","0.0744","0.078","","","","","","1.008","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202952","11.4448","0.001","22.0985","0.0019","8.4069","0.0007","90","","100.226","0.002","90","","2092.4","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 Hg2 I4 N4 O -","- C12 H8 Hg2 I4 N4 O -","- C48 H32 Hg8 I16 N16 O4 -","4","1","","Mahmoudi, Ghodrat; Morsali, Ali","Counter-ion influence on the coordination mode of the 2,5-bis(4-pyridyl)-1,3,4-oxadiazole (bpo) ligand in mercury(ii) coordination polymers, [Hg(bpo)nX2]: X = I‒, Br‒, SCN‒, N3‒ and NO2‒; spectroscopic, thermal, fluorescence and structural studies","CrystEngComm","2007","9","11","1062","","10.1039/b707228g","","","0.71073","MoKα","","0.0623","0.0505","","","0.1091","0.1137","","","","","","1.108","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202953","5.2468","0.0006","21.221","0.002","13.2169","0.0014","90","","96.837","0.002","90","","1461.1","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 Br2 Hg N4 O -","- C12 H8 Br2 Hg N4 O -","- C48 H32 Br8 Hg4 N16 O4 -","4","1","","Mahmoudi, Ghodrat; Morsali, Ali","Counter-ion influence on the coordination mode of the 2,5-bis(4-pyridyl)-1,3,4-oxadiazole (bpo) ligand in mercury(ii) coordination polymers, [Hg(bpo)nX2]: X = I‒, Br‒, SCN‒, N3‒ and NO2‒; spectroscopic, thermal, fluorescence and structural studies","CrystEngComm","2007","9","11","1062","","10.1039/b707228g","","","0.71073","MoKα","","0.0406","0.0362","","","0.0887","0.091","","","","","","1.056","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202954","5.9134","0.0008","18.776","0.002","13.2924","0.0017","90","","101.608","0.002","90","","1445.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 Hg N6 O5 -","- C12 H8 Hg N6 O5 -","- C48 H32 Hg4 N24 O20 -","4","1","","Mahmoudi, Ghodrat; Morsali, Ali","Counter-ion influence on the coordination mode of the 2,5-bis(4-pyridyl)-1,3,4-oxadiazole (bpo) ligand in mercury(ii) coordination polymers, [Hg(bpo)nX2]: X = I‒, Br‒, SCN‒, N3‒ and NO2‒; spectroscopic, thermal, fluorescence and structural studies","CrystEngComm","2007","9","11","1062","","10.1039/b707228g","","","0.71073","MoKα","","0.0262","0.024","","","0.0585","0.0595","","","","","","1.101","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202955","15.3004","0.0005","15.3004","0.0005","43.667","0.003","90","","90","","120","","8853","0.7","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- H5 Mn43 Na17 O144 P36 -","- Mn43 Na17 O144 P36 -","- Mn129 Na51 O432 P108 -","3","0.166667","","Wang, Jingping; Bi, Dongqin; Niu, Jingyang","A three-dimensional heterocluster containing manganese clusters and hexanuclear sodium wheels","CrystEngComm","2007","9","9","740","","10.1039/b707476j","","","0.71073","MoKα","","0.0353","0.0307","","","0.0709","0.0731","","","","","","1.047","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202956","12.143","0.004","12.325","0.004","13.869","0.004","99.008","0.012","96.572","0.012","95.481","0.013","2022.9","1.1","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H28 Au2 Cl4 F6 O4 P2 -","- C36 H28 Au2 Cl4 F6 O4 P2 -","- C72 H56 Au4 Cl8 F12 O8 P4 -","2","1","","Deák, Andrea; Tunyogi, Tünde; Tárkányi, Gábor; Király, Péter; Pálinkás, Gábor","Self-assembly of gold(i) with diphosphine and bitopic nitrogen donor linkers in the presence of trifluoroacetate anion: formation of coordination polymer versus discrete macrocycle","CrystEngComm","2007","9","8","640","","10.1039/b707579k","","","0.71073","MoKα","","0.0629","0.0558","","","0.1372","0.1424","","","","","","1.059","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202957","19.827","0.002","19.827","0.002","22.206","0.003","90","","90","","90","","8729.4","1.7","103","2","103","2","","","","","","","","8","I -4 2 d","I -4 2bw","122","","","","- C45 H34 Au2 Cl2 F6 N2 O4 P2 -","- C45 H34 Au2 Cl2 F6 N2 O4 P2 -","- C360 H272 Au16 Cl16 F48 N16 O32 P16 -","8","0.5","","Deák, Andrea; Tunyogi, Tünde; Tárkányi, Gábor; Király, Péter; Pálinkás, Gábor","Self-assembly of gold(i) with diphosphine and bitopic nitrogen donor linkers in the presence of trifluoroacetate anion: formation of coordination polymer versus discrete macrocycle","CrystEngComm","2007","9","8","640","","10.1039/b707579k","","","0.71073","MoKα","","0.0655","0.0634","","","0.136","0.1371","","","","","","1.207","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202958","10.0634","0.0014","21.126","0.003","22.728","0.004","90","","100.424","0.006","90","","4752.2","1.3","123","2","123","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C94 H80 Au4 Cl4 F12 N4 O12 P4 -","- C94 H80 Au4 Cl4 F12 N4 O12 P4 -","- C188 H160 Au8 Cl8 F24 N8 O24 P8 -","2","0.5","","Deák, Andrea; Tunyogi, Tünde; Tárkányi, Gábor; Király, Péter; Pálinkás, Gábor","Self-assembly of gold(i) with diphosphine and bitopic nitrogen donor linkers in the presence of trifluoroacetate anion: formation of coordination polymer versus discrete macrocycle","CrystEngComm","2007","9","8","640","","10.1039/b707579k","","","0.71073","MoKα","","0.0486","0.0386","","","0.0801","0.0841","","","","","","1.037","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202959","6.7981","0.0008","7.1085","0.0009","9.5555","0.001","71.489","0.011","84.54","0.009","69.982","0.012","411.37","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H9 N O2 -","- C10 H9 N O2 -","- C20 H18 N2 O4 -","2","1","","Niedziałek, Dorota; Urbanczyk-Lipkowska, Zofia","New crystalline form of 7-amino-4-methylcoumarin (coumarin 120)—a polymorph with 1 ∶ 1 valence tautomers","CrystEngComm","2007","9","9","735","","10.1039/b707581b","","","0.71073","MoKα","","0.0701","0.0306","","","0.0546","0.0592","","","","","","0.74","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202960","9.7381","0.001","25.655","0.003","13.6416","0.0014","90","","105.04","0.009","90","","3291.3","0.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","7-amino-4-methylcoumarin","7-amino-4-methylcoumarin","","- C10 H9 N O2 -","- C10 H9 N O2 -","- C160 H144 N16 O32 -","16","2","","Niedziałek, Dorota; Urbanczyk-Lipkowska, Zofia","New crystalline form of 7-amino-4-methylcoumarin (coumarin 120)—a polymorph with 1 ∶ 1 valence tautomers","CrystEngComm","2007","9","9","735","","10.1039/b707581b","","","0.71073","MoKα","","0.1079","0.0513","","","0.114","0.133","","","","","","0.96","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202961","11.9869","0.001","12.7263","0.001","13.6184","0.0011","88.244","0.001","75.796","0.001","77.068","0.001","1962.2","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H35 Eu N4 O14 S3 -","- C39 H25 Eu N4 O14 S3 -","- C78 H50 Eu2 N8 O28 S6 -","2","1","","Zhao, Jiong-Peng; Hu, Bo-Wen; Liu, Fu-Chen; Hu, Xin; Zeng, Yong-Fei; Bu, Xian-He","Arenedisulfonate‒lanthanide supramolecular architectures with phenanthroline as a co-ligand: syntheses and structures","CrystEngComm","2007","9","10","902","","10.1039/b707622c","","","0.71073","MoKα","","0.0354","0.031","","","0.0782","0.0799","","","","","","0.992","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202962","11.9725","0.001","12.7153","0.001","13.5923","0.0011","88.299","0.001","75.855","0.001","77.128","0.001","1955.4","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H35 Gd N4 O14 S3 -","- C39 H25 Gd N4 O14 S3 -","- C78 H50 Gd2 N8 O28 S6 -","2","1","","Zhao, Jiong-Peng; Hu, Bo-Wen; Liu, Fu-Chen; Hu, Xin; Zeng, Yong-Fei; Bu, Xian-He","Arenedisulfonate‒lanthanide supramolecular architectures with phenanthroline as a co-ligand: syntheses and structures","CrystEngComm","2007","9","10","902","","10.1039/b707622c","","","0.71073","MoKα","","0.034","0.0297","","","0.0741","0.0755","","","","","","1.007","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202963","12.048","0.001","12.767","0.001","13.6822","0.0011","88.259","0.001","75.781","0.001","77.032","0.001","1987.4","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H35 N4 Nd O14 S3 -","- C39 H25 N4 Nd O14 S3 -","- C78 H50 N8 Nd2 O28 S6 -","2","1","","Zhao, Jiong-Peng; Hu, Bo-Wen; Liu, Fu-Chen; Hu, Xin; Zeng, Yong-Fei; Bu, Xian-He","Arenedisulfonate‒lanthanide supramolecular architectures with phenanthroline as a co-ligand: syntheses and structures","CrystEngComm","2007","9","10","902","","10.1039/b707622c","","","0.71073","MoKα","","0.0603","0.0374","","","0.0823","0.0918","","","","","","1.158","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202964","12.175","0.003","12.937","0.003","13.847","0.003","88.391","0.003","76.116","0.003","77.176","0.003","2063.7","0.8","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H35 N4 O14 S3 Tb -","- C39 H25 N4 O14 S3 Tb -","- C78 H50 N8 O28 S6 Tb2 -","2","1","","Zhao, Jiong-Peng; Hu, Bo-Wen; Liu, Fu-Chen; Hu, Xin; Zeng, Yong-Fei; Bu, Xian-He","Arenedisulfonate‒lanthanide supramolecular architectures with phenanthroline as a co-ligand: syntheses and structures","CrystEngComm","2007","9","10","902","","10.1039/b707622c","","","0.71073","MoKα","","0.0431","0.0319","","","0.0773","0.0833","","","","","","1.045","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202965","10.7529","0.0013","12.5987","0.0015","13.7199","0.0016","83.876","0.002","68.643","0.002","75.372","0.002","1674.7","0.3","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H58 Eu2 N8 O20 S4 -","- C68 H54 Eu2 N8 O20 S4 -","- C68 H54 Eu2 N8 O20 S4 -","1","0.5","","Zhao, Jiong-Peng; Hu, Bo-Wen; Liu, Fu-Chen; Hu, Xin; Zeng, Yong-Fei; Bu, Xian-He","Arenedisulfonate‒lanthanide supramolecular architectures with phenanthroline as a co-ligand: syntheses and structures","CrystEngComm","2007","9","10","902","","10.1039/b707622c","","","0.71073","MoKα","","0.0497","0.0404","","","0.1084","0.1167","","","","","","1.045","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202966","10.6498","0.0013","12.6501","0.0016","13.682","0.002","84.05","0.003","68.256","0.002","75.975","0.002","1660.9","0.4","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H58 Gd2 N8 O20 S4 -","- C68 H54 Gd2 N8 O20 S4 -","- C68 H54 Gd2 N8 O20 S4 -","1","0.5","","Zhao, Jiong-Peng; Hu, Bo-Wen; Liu, Fu-Chen; Hu, Xin; Zeng, Yong-Fei; Bu, Xian-He","Arenedisulfonate‒lanthanide supramolecular architectures with phenanthroline as a co-ligand: syntheses and structures","CrystEngComm","2007","9","10","902","","10.1039/b707622c","","","0.71073","MoKα","","0.0538","0.0405","","","0.1054","0.1154","","","","","","1.046","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202967","10.685","0.003","12.699","0.004","13.698","0.004","84.405","0.004","68.237","0.004","75.866","0.004","1673.9","0.9","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H58 N8 O20 S4 Tb2 -","- C68 H58 N8 O20 S4 Tb2 -","- C68 H58 N8 O20 S4 Tb2 -","1","0.5","","Zhao, Jiong-Peng; Hu, Bo-Wen; Liu, Fu-Chen; Hu, Xin; Zeng, Yong-Fei; Bu, Xian-He","Arenedisulfonate‒lanthanide supramolecular architectures with phenanthroline as a co-ligand: syntheses and structures","CrystEngComm","2007","9","10","902","","10.1039/b707622c","","","0.71073","MoKα","","0.057","0.0432","","","0.1132","0.1223","","","","","","1.062","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202968","33.27","0.04","4.739","0.004","21.54","0.02","90","","127.46","0.01","90","","2696","5","223.2","","","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","1,4,7,10-tetra(n-butyl)tetracene, form A","","","- C34 H44 -","- C34 H44 -","- C136 H176 -","4","0.5","","Kitamura, Chitoshi; Ohara, Takuya; Kawatsuki, Nobuhiro; Yoneda, Akio; Kobayashi, Takashi; Naito, Hiroyoshi; Komatsu, Toshiki; Kitamura, Teruo","Conformational polymorphism and optical properties in the solid state of 1,4,7,10-tetra(n-butyl)tetracene","CrystEngComm","2007","9","8","644","","10.1039/b707685c","","","0.7107","MoKα","","","0.0864","","","","0.1852","","","","","","1.196","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202969","5.392","0.006","8.66","0.01","15.19","0.02","101.41","0.03","98.8","0.04","99.35","0.06","673.4","1.4","223.2","","","","","","","","","","","2","P -1","-P 1","2","1,4,7,10-tetra(n-butyl)tetracene, form B","","","- C34 H44 -","- C34 H44 -","- C34 H44 -","1","0.5","","Kitamura, Chitoshi; Ohara, Takuya; Kawatsuki, Nobuhiro; Yoneda, Akio; Kobayashi, Takashi; Naito, Hiroyoshi; Komatsu, Toshiki; Kitamura, Teruo","Conformational polymorphism and optical properties in the solid state of 1,4,7,10-tetra(n-butyl)tetracene","CrystEngComm","2007","9","8","644","","10.1039/b707685c","","","0.7107","MoKα","","","0.0845","","","","0.2089","","","","","","1.797","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202970","9.1441","0.0018","13.157","0.003","17.564","0.004","90","","95.04","0.03","90","","2104.9","0.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 N2 O4 S2 -","- C24 H18 N2 O4 S2 -","- C96 H72 N8 O16 S8 -","4","1","","Broker, Grant A.; Tiekink, Edward R. T.","Co-crystal formation between 2,2′-dithiodibenzoic acid and each of 4,4′-bipyridine, trans-1,2-bis(4-pyridyl)ethene and 1,2-bis(4-pyridyl)ethane","CrystEngComm","2007","9","11","1096","","10.1039/b707690h","","","0.7107","MoKα","","0.05","0.045","","","0.094","0.097","","","","","","1.13","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202971","10.607","0.0002","12.3972","0.0002","17.3834","0.0004","90","","90.323","0.001","90","","2285.83","0.08","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 N2 O4 S2 -","- C26 H20 N2 O4 S2 -","- C104 H80 N8 O16 S8 -","4","1","","Broker, Grant A.; Tiekink, Edward R. T.","Co-crystal formation between 2,2′-dithiodibenzoic acid and each of 4,4′-bipyridine, trans-1,2-bis(4-pyridyl)ethene and 1,2-bis(4-pyridyl)ethane","CrystEngComm","2007","9","11","1096","","10.1039/b707690h","","","0.71069","MoKα","","0.056","0.037","","","0.097","0.115","","","","","","1.09","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202972","28.8615","0.0009","10.188","0.0004","19.9562","0.0008","90","","125.715","0.002","90","","4764.4","0.3","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 N2 O4 S2 -","- C26 H22 N2 O4 S2 -","- C208 H176 N16 O32 S16 -","8","1","","Broker, Grant A.; Tiekink, Edward R. T.","Co-crystal formation between 2,2′-dithiodibenzoic acid and each of 4,4′-bipyridine, trans-1,2-bis(4-pyridyl)ethene and 1,2-bis(4-pyridyl)ethane","CrystEngComm","2007","9","11","1096","","10.1039/b707690h","","","0.71069","MoKα","","0.096","0.053","","","0.13","0.153","","","","","","1.06","","","","has coordinates,has disorder","180360","2020-10-21","18:00:00",""
"7202973","7.5501","0.0015","9.0077","0.0018","18.787","0.004","88.56","0.03","81.33","0.03","74.86","0.03","1219.1","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H26 N2 O6 S2 -","- C26 H26 N2 O6 S2 -","- C52 H52 N4 O12 S4 -","2","1","","Broker, Grant A.; Tiekink, Edward R. T.","Co-crystal formation between 2,2′-dithiodibenzoic acid and each of 4,4′-bipyridine, trans-1,2-bis(4-pyridyl)ethene and 1,2-bis(4-pyridyl)ethane","CrystEngComm","2007","9","11","1096","","10.1039/b707690h","","","0.7107","MoKα","","0.036","0.034","","","0.086","0.087","","","","","","1.08","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202974","7.8072","0.0016","11.128","0.002","11.413","0.002","64.69","0.03","82.89","0.03","77.7","0.03","875.2","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H16 N O5 S2 -","- C19 H16 N O5 S2 -","- C38 H32 N2 O10 S4 -","2","1","","Broker, Grant A.; Tiekink, Edward R. T.","Co-crystal formation between 2,2′-dithiodibenzoic acid and each of 4,4′-bipyridine, trans-1,2-bis(4-pyridyl)ethene and 1,2-bis(4-pyridyl)ethane","CrystEngComm","2007","9","11","1096","","10.1039/b707690h","","","0.7107","MoKα","","0.069","0.061","","","0.109","0.112","","","","","","1.2","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202975","19.512","0.003","7.8294","0.0013","23.312","0.004","90","","102.726","0.004","90","","3473.8","1","103","2","103","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H30 N2 O8 S4 -","- C40 H30 N2 O8 S4 -","- C160 H120 N8 O32 S16 -","4","0.5","","Broker, Grant A.; Tiekink, Edward R. T.","Co-crystal formation between 2,2′-dithiodibenzoic acid and each of 4,4′-bipyridine, trans-1,2-bis(4-pyridyl)ethene and 1,2-bis(4-pyridyl)ethane","CrystEngComm","2007","9","11","1096","","10.1039/b707690h","","","0.7107","MoKα","","0.048","0.042","","","0.092","0.095","","","","","","1.12","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202976","19.734","0.004","7.8916","0.0016","23.226","0.005","90","","100.8","0.03","90","","3553","1.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 N O4 S2 -","- C20 H16 N O4 S2 -","- C160 H128 N8 O32 S16 -","8","1","","Broker, Grant A.; Tiekink, Edward R. T.","Co-crystal formation between 2,2′-dithiodibenzoic acid and each of 4,4′-bipyridine, trans-1,2-bis(4-pyridyl)ethene and 1,2-bis(4-pyridyl)ethane","CrystEngComm","2007","9","11","1096","","10.1039/b707690h","","","0.7107","MoKα","","0.041","0.04","","","0.093","0.094","","","","","","1.09","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202977","8.9817","0.0003","9.135","0.0002","12.9172","0.0005","93.469","0.002","90.466","0.002","97.325","0.002","1049.12","0.06","173","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H22 N O5 S2 -","- C22 H22 N O5 S2 -","- C44 H44 N2 O10 S4 -","2","1","","Broker, Grant A.; Tiekink, Edward R. T.","Co-crystal formation between 2,2′-dithiodibenzoic acid and each of 4,4′-bipyridine, trans-1,2-bis(4-pyridyl)ethene and 1,2-bis(4-pyridyl)ethane","CrystEngComm","2007","9","11","1096","","10.1039/b707690h","","","0.71069","MoKα","","0.08","0.055","","","0.157","0.178","","","","","","1.1","","","","has coordinates,has disorder","180360","2020-10-21","18:00:00",""
"7202978","9.873","0.002","10.671","0.002","10.578","0.002","90","","104.58","0.03","90","","1078.6","0.4","150","2","150","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","3,3'-dinitro-2,2'-bipyridine-1-oxide","3,3'-dinitro-2,2'-bipyridine-1-oxide","","- C10 H6 N4 O5 -","- C10 H6 N4 O5 -","- C40 H24 N16 O20 -","4","1","","O'Leary, Jane; Wallis, John D.","A competition between O⋯N and O⋯C through space interactions in the crystal structures of 3,3′-dinitro-2,2′-bipyridine N-oxides and N,N′-dioxides","CrystEngComm","2007","9","10","941","","10.1039/b707822f","","","0.71073","MoKα","","0.0677","0.0462","","","0.1145","0.1228","","","","","","1.015","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202979","6.1226","0.0003","7.4847","0.0004","13.52","0.0008","102.825","0.0002","90.226","0.002","111.154","0.003","560.99","0.05","150","2","150","2","","","","","","","","4","P -1","-P 1","2","3,3-Dinitro-2,2-bipyridine-1,1-dioxide","3,3-Dinitro-2,2-bipyridine-1,1-dioxide","","- C10 H6 N4 O6 -","- C10 H6 N4 O6 -","- C20 H12 N8 O12 -","2","1","","O'Leary, Jane; Wallis, John D.","A competition between O⋯N and O⋯C through space interactions in the crystal structures of 3,3′-dinitro-2,2′-bipyridine N-oxides and N,N′-dioxides","CrystEngComm","2007","9","10","941","","10.1039/b707822f","","","0.71073","MoKα","","0.097","0.057","","","0.1398","0.1578","","","","","","1.104","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202980","8.167","0.0003","13.4699","0.0006","11.3597","0.0006","90","","94.7505","0.0016","90","","1245.37","0.1","120","2","120","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","5,5'-dimethyl-2,2'-bipyridine-1-oxide","5,5'-dimethyl-2,2'-bipyridine-1-oxide","","- C12 H10 N4 O5 -","- C12 H10 N4 O5 -","- C48 H40 N16 O20 -","4","1","","O'Leary, Jane; Wallis, John D.","A competition between O⋯N and O⋯C through space interactions in the crystal structures of 3,3′-dinitro-2,2′-bipyridine N-oxides and N,N′-dioxides","CrystEngComm","2007","9","10","941","","10.1039/b707822f","","","0.71073","MoKα","","0.082","0.0507","","","0.1352","0.1478","","","","","","0.943","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202981","12.044","0.004","7.544","0.003","15.093","0.005","90","","108.48","0.003","90","","1300.6","0.8","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","5,5-Dimethyl-3,3-dinitro-2,2-bipyridine-1,1-dioxide","5,5-Dimethyl-3,3-dinitro-2,2-bipyridine-1,1-dioxide","","- C12 H10 N4 O6 -","- C12 H10 N4 O6 -","- C48 H40 N16 O24 -","4","0.5","","O'Leary, Jane; Wallis, John D.","A competition between O⋯N and O⋯C through space interactions in the crystal structures of 3,3′-dinitro-2,2′-bipyridine N-oxides and N,N′-dioxides","CrystEngComm","2007","9","10","941","","10.1039/b707822f","","","0.71073","MoKα","","0.064","0.0566","","","0.1499","0.1537","","","","","","1.09","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202982","7.8557","0.0006","8.813","0.0006","11.4793","0.001","90","","93.78","0.004","90","","793.01","0.11","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","8-nitroquinoline-1-oxide","8-nitroquinoline-1-oxide","","- C9 H6 N2 O3 -","- C9 H6 N2 O3 -","- C36 H24 N8 O12 -","4","1","","O'Leary, Jane; Wallis, John D.","A competition between O⋯N and O⋯C through space interactions in the crystal structures of 3,3′-dinitro-2,2′-bipyridine N-oxides and N,N′-dioxides","CrystEngComm","2007","9","10","941","","10.1039/b707822f","","","0.71073","MoKα","","0.0559","0.0431","","","0.1067","0.1142","","","","","","1.09","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202983","16.32","0.002","23.887","0.003","14.326","0.002","90","","106.433","0.002","90","","5356.7","1.2","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H30 N2 O8 -","- C29 H30 N2 O8 -","- C232 H240 N16 O64 -","8","2","","Du, Miao; Li, Cheng-Peng; Zhao, Xiao-Jun; Yu, Qian","Interplay of coordinative and supramolecular interactions in engineering unusual crystalline architectures of low-dimensional metal‒pamoate complexes under co-ligand intervention","CrystEngComm","2007","9","11","1011","","10.1039/b707853f","","","0.71073","MoKα","","0.0973","0.0483","","","0.1195","0.1467","","","","","","1.017","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202984","9.087","0.002","13.014","0.003","13.168","0.003","87.749","0.003","89.854","0.003","80.647","0.003","1535.3","0.6","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H36 Mn N2 O12 -","- C29 H36 Mn N2 O12 -","- C58 H72 Mn2 N4 O24 -","2","1","","Du, Miao; Li, Cheng-Peng; Zhao, Xiao-Jun; Yu, Qian","Interplay of coordinative and supramolecular interactions in engineering unusual crystalline architectures of low-dimensional metal‒pamoate complexes under co-ligand intervention","CrystEngComm","2007","9","11","1011","","10.1039/b707853f","","","0.71073","MoKα","","0.0491","0.0399","","","0.1113","0.1162","","","","","","1.085","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202985","10.1125","0.0007","11.695","0.0008","27.4427","0.0018","90","","94.882","0.001","90","","3233.8","0.4","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H37 Cu N3 O10 -","- C32 H37 Cu N3 O10 -","- C128 H148 Cu4 N12 O40 -","4","1","","Du, Miao; Li, Cheng-Peng; Zhao, Xiao-Jun; Yu, Qian","Interplay of coordinative and supramolecular interactions in engineering unusual crystalline architectures of low-dimensional metal‒pamoate complexes under co-ligand intervention","CrystEngComm","2007","9","11","1011","","10.1039/b707853f","","","0.71073","MoKα","","0.0421","0.0317","","","0.0841","0.0882","","","","","","1.062","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202986","28.323","0.002","11.0466","0.0008","20.5022","0.0016","90","","120.905","0.001","90","","5503.8","0.7","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C59 H65 Cd N5 O15 -","- C50 H44 Cd N2 O12 -","- C200 H176 Cd4 N8 O48 -","4","0.5","","Du, Miao; Li, Cheng-Peng; Zhao, Xiao-Jun; Yu, Qian","Interplay of coordinative and supramolecular interactions in engineering unusual crystalline architectures of low-dimensional metal‒pamoate complexes under co-ligand intervention","CrystEngComm","2007","9","11","1011","","10.1039/b707853f","","","0.71073","MoKα","","0.0538","0.0452","","","0.141","0.1472","","","","","","1.147","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202987","12.4015","0.0012","9.7313","0.0009","26.458","0.003","90","","96.289","0.001","90","","3173.8","0.6","295","2","295","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C36 H29 N3 O7 Zn -","- C36 H29 N3 O7 Zn -","- C144 H116 N12 O28 Zn4 -","4","1","","Du, Miao; Li, Cheng-Peng; Zhao, Xiao-Jun; Yu, Qian","Interplay of coordinative and supramolecular interactions in engineering unusual crystalline architectures of low-dimensional metal‒pamoate complexes under co-ligand intervention","CrystEngComm","2007","9","11","1011","","10.1039/b707853f","","","0.71073","MoKα","","0.0699","0.042","","","0.0999","0.1123","","","","","","1.05","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202988","15.742","0.0009","9.389","0.0005","22.7454","0.0013","90","","94.819","0.001","90","","3349.9","0.3","295","2","295","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C36 H30 Cd N3 O7.5 -","- C36 H29 Cd N3 O7.5 -","- C144 H116 Cd4 N12 O30 -","4","1","","Du, Miao; Li, Cheng-Peng; Zhao, Xiao-Jun; Yu, Qian","Interplay of coordinative and supramolecular interactions in engineering unusual crystalline architectures of low-dimensional metal‒pamoate complexes under co-ligand intervention","CrystEngComm","2007","9","11","1011","","10.1039/b707853f","","","0.71073","MoKα","","0.0367","0.028","","","0.072","0.0752","","","","","","1.03","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202989","15.649","0.002","22.963","0.004","11.545","0.003","90","","115.738","0.001","90","","3737.1","1.3","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C47 H36 Mn N4 O9 -","- C47 H36 Mn N4 O9 -","- C188 H144 Mn4 N16 O36 -","4","0.5","","Du, Miao; Li, Cheng-Peng; Zhao, Xiao-Jun; Yu, Qian","Interplay of coordinative and supramolecular interactions in engineering unusual crystalline architectures of low-dimensional metal‒pamoate complexes under co-ligand intervention","CrystEngComm","2007","9","11","1011","","10.1039/b707853f","","","0.71073","MoKα","","0.0452","0.0312","","","0.0746","0.0795","","","","","","1.037","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202990","16.08","0.007","10.678","0.005","22.186","0.01","90","","101.95","0.007","90","","3727","3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H38 Cu N4 O9 -","- C41 H38 Cu N4 O9 -","- C164 H152 Cu4 N16 O36 -","4","1","","Du, Miao; Li, Cheng-Peng; Zhao, Xiao-Jun; Yu, Qian","Interplay of coordinative and supramolecular interactions in engineering unusual crystalline architectures of low-dimensional metal‒pamoate complexes under co-ligand intervention","CrystEngComm","2007","9","11","1011","","10.1039/b707853f","","","0.71073","MoKα","","0.116","0.0613","","","0.1643","0.1983","","","","","","1.044","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202991","15.913","0.002","10.4978","0.0016","22.979","0.003","90","","102.159","0.002","90","","3752.6","0.9","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39.5 H34.5 N3.5 O8.5 Zn -","- C39.5 H34.5 N3.5 O8.5 Zn -","- C158 H138 N14 O34 Zn4 -","4","1","","Du, Miao; Li, Cheng-Peng; Zhao, Xiao-Jun; Yu, Qian","Interplay of coordinative and supramolecular interactions in engineering unusual crystalline architectures of low-dimensional metal‒pamoate complexes under co-ligand intervention","CrystEngComm","2007","9","11","1011","","10.1039/b707853f","","","0.71073","MoKα","","0.0977","0.065","","","0.1935","0.2192","","","","","","1.067","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202992","11.8834","0.0019","15.273","0.002","19.365","0.003","90","","110.135","0.008","90","","3299.9","0.9","295","2","295","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C38 H29 Cd N3 O7 -","- C38 H29 Cd N3 O7 -","- C152 H116 Cd4 N12 O28 -","4","1","","Du, Miao; Li, Cheng-Peng; Zhao, Xiao-Jun; Yu, Qian","Interplay of coordinative and supramolecular interactions in engineering unusual crystalline architectures of low-dimensional metal‒pamoate complexes under co-ligand intervention","CrystEngComm","2007","9","11","1011","","10.1039/b707853f","","","0.71073","MoKα","","0.0437","0.0313","","","0.0822","0.0877","","","","","","1.039","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202993","14.6316","0.001","11.0803","0.0008","11.7201","0.0008","90","","108.242","0.001","90","","1804.6","0.2","295","2","295","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C39 H36 Cu N4 O8 -","- C39 H36 Cu N4 O8 -","- C78 H72 Cu2 N8 O16 -","2","0.5","","Du, Miao; Li, Cheng-Peng; Zhao, Xiao-Jun; Yu, Qian","Interplay of coordinative and supramolecular interactions in engineering unusual crystalline architectures of low-dimensional metal‒pamoate complexes under co-ligand intervention","CrystEngComm","2007","9","11","1011","","10.1039/b707853f","","","0.71073","MoKα","","0.0378","0.0321","","","0.0933","0.0969","","","","","","1.011","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202994","13.6265","0.0013","16.8941","0.0016","19.4796","0.0018","90","","107.239","0.001","90","","4282.9","0.7","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H32 Cd N4 O7 -","- C43 H32 Cd N4 O7 -","- C172 H128 Cd4 N16 O28 -","4","1","","Du, Miao; Li, Cheng-Peng; Zhao, Xiao-Jun; Yu, Qian","Interplay of coordinative and supramolecular interactions in engineering unusual crystalline architectures of low-dimensional metal‒pamoate complexes under co-ligand intervention","CrystEngComm","2007","9","11","1011","","10.1039/b707853f","","","0.71073","MoKα","","0.0881","0.0555","","","0.1772","0.2012","","","","","","1.057","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7203000","8.8638","0.0008","14.5474","0.0014","15.4248","0.0012","90","","121.174","0.004","90","","1701.7","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H14 Ce N3 O10 S3 -","- C9 H14 Ce N3 O10 S3 -","- C36 H56 Ce4 N12 O40 S12 -","4","1","","Wang, Su-Na; Sun, Ran; Wang, Xiao-Shi; Li, Yi-Zhi; Pan, Yi; Bai, Junfeng; Scheer, Manfred; You, Xiao-Zeng","Versatile lanthanide coordination assemblies due to the synergistic effect of lanthanide contraction and flexibility of a flexible tricarboxylate ligand","CrystEngComm","2007","9","11","1051","","10.1039/b708104a","","","0.71073","MoKα","","0.0642","0.0442","","","0.123","0.1333","","","","","","1.074","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203001","8.8231","0.0003","14.5403","0.0006","15.3938","0.0006","90","","121.052","0.001","90","","1691.88","0.11","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H14 N3 O10 Pr S3 -","- C9 H14 N3 O10 Pr S3 -","- C36 H56 N12 O40 Pr4 S12 -","4","1","","Wang, Su-Na; Sun, Ran; Wang, Xiao-Shi; Li, Yi-Zhi; Pan, Yi; Bai, Junfeng; Scheer, Manfred; You, Xiao-Zeng","Versatile lanthanide coordination assemblies due to the synergistic effect of lanthanide contraction and flexibility of a flexible tricarboxylate ligand","CrystEngComm","2007","9","11","1051","","10.1039/b708104a","","","0.71073","MoKα","","0.0605","0.0489","","","0.154","0.1671","","","","","","1.035","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203002","8.8368","0.0018","14.529","0.003","15.467","0.003","90","","121.3","0.03","90","","1696.8","0.8","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H14 N3 Nd O10 S3 -","- C9 H14 N3 Nd O10 S3 -","- C36 H56 N12 Nd4 O40 S12 -","4","1","","Wang, Su-Na; Sun, Ran; Wang, Xiao-Shi; Li, Yi-Zhi; Pan, Yi; Bai, Junfeng; Scheer, Manfred; You, Xiao-Zeng","Versatile lanthanide coordination assemblies due to the synergistic effect of lanthanide contraction and flexibility of a flexible tricarboxylate ligand","CrystEngComm","2007","9","11","1051","","10.1039/b708104a","","","0.71073","MoKα","","0.0842","0.0462","","","0.1549","0.172","","","","","","1.094","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203003","8.4178","0.0012","9.0262","0.0013","11.6753","0.0017","99.299","0.002","99.648","0.003","96.047","0.002","855","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H14 N3 O10 S3 Sm -","- C9 H14 N3 O10 S3 Sm -","- C18 H28 N6 O20 S6 Sm2 -","2","1","","Wang, Su-Na; Sun, Ran; Wang, Xiao-Shi; Li, Yi-Zhi; Pan, Yi; Bai, Junfeng; Scheer, Manfred; You, Xiao-Zeng","Versatile lanthanide coordination assemblies due to the synergistic effect of lanthanide contraction and flexibility of a flexible tricarboxylate ligand","CrystEngComm","2007","9","11","1051","","10.1039/b708104a","","","0.71073","MoKα","","0.0361","0.0324","","","0.0858","0.0885","","","","","","1.051","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203004","8.403","0.004","9.008","0.005","11.651","0.006","99.135","0.007","99.531","0.005","96.161","0.006","850.6","0.8","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H14 Eu N3 O10 S3 -","- C9 H14 Eu N3 O10 S3 -","- C18 H28 Eu2 N6 O20 S6 -","2","1","","Wang, Su-Na; Sun, Ran; Wang, Xiao-Shi; Li, Yi-Zhi; Pan, Yi; Bai, Junfeng; Scheer, Manfred; You, Xiao-Zeng","Versatile lanthanide coordination assemblies due to the synergistic effect of lanthanide contraction and flexibility of a flexible tricarboxylate ligand","CrystEngComm","2007","9","11","1051","","10.1039/b708104a","","","0.71073","MoKα","","0.0496","0.0393","","","0.0908","0.096","","","","","","1.066","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203005","8.442","0.003","8.996","0.003","11.7","0.004","98.85","0.004","99.386","0.005","96.468","0.004","857.5","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H14 N3 O10 S3 Tb -","- C9 H14 N3 O10 S3 Tb -","- C18 H28 N6 O20 S6 Tb2 -","2","1","","Wang, Su-Na; Sun, Ran; Wang, Xiao-Shi; Li, Yi-Zhi; Pan, Yi; Bai, Junfeng; Scheer, Manfred; You, Xiao-Zeng","Versatile lanthanide coordination assemblies due to the synergistic effect of lanthanide contraction and flexibility of a flexible tricarboxylate ligand","CrystEngComm","2007","9","11","1051","","10.1039/b708104a","","","0.71073","MoKα","","0.0448","0.038","","","0.0944","0.0973","","","","","","1.012","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203006","8.575","0.003","10.879","0.004","10.988","0.004","70.103","0.004","86.18","0.005","79.849","0.005","948.7","0.6","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H36 Dy2 N6 O24 S6 -","- C18 H36 Dy2 N6 O24 S6 -","- C18 H36 Dy2 N6 O24 S6 -","1","0.5","","Wang, Su-Na; Sun, Ran; Wang, Xiao-Shi; Li, Yi-Zhi; Pan, Yi; Bai, Junfeng; Scheer, Manfred; You, Xiao-Zeng","Versatile lanthanide coordination assemblies due to the synergistic effect of lanthanide contraction and flexibility of a flexible tricarboxylate ligand","CrystEngComm","2007","9","11","1051","","10.1039/b708104a","","","0.71073","MoKα","","0.0429","0.0361","","","0.092","0.0947","","","","","","1.087","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203007","8.5663","0.0011","10.8794","0.0015","10.9674","0.0015","70.289","0.002","86.198","0.002","79.714","0.002","946.7","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H36 Er2 N6 O24 S6 -","- C18 H36 Er2 N6 O24 S6 -","- C18 H36 Er2 N6 O24 S6 -","1","0.5","","Wang, Su-Na; Sun, Ran; Wang, Xiao-Shi; Li, Yi-Zhi; Pan, Yi; Bai, Junfeng; Scheer, Manfred; You, Xiao-Zeng","Versatile lanthanide coordination assemblies due to the synergistic effect of lanthanide contraction and flexibility of a flexible tricarboxylate ligand","CrystEngComm","2007","9","11","1051","","10.1039/b708104a","","","0.71073","MoKα","","0.0322","0.0294","","","0.076","0.078","","","","","","1.032","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203008","8.535","0.005","10.872","0.006","10.939","0.006","70.189","0.008","86.112","0.01","79.489","0.008","938.9","0.9","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H36 N6 O24 S6 Yb2 -","- C18 H36 N6 O24 S6 Yb2 -","- C18 H36 N6 O24 S6 Yb2 -","1","0.5","","Wang, Su-Na; Sun, Ran; Wang, Xiao-Shi; Li, Yi-Zhi; Pan, Yi; Bai, Junfeng; Scheer, Manfred; You, Xiao-Zeng","Versatile lanthanide coordination assemblies due to the synergistic effect of lanthanide contraction and flexibility of a flexible tricarboxylate ligand","CrystEngComm","2007","9","11","1051","","10.1039/b708104a","","","0.71073","MoKα","","0.0594","0.0479","","","0.0858","0.0871","","","","","","1.043","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203009","35.243","0.005","35.243","0.005","5.1853","0.001","90","","90","","120","","5577.6","1.6","100","","100","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C15.4 H12 N2 O1.1 -","- C15.4 H12 N2 O1.1 -","- C277.2 H216 N36 O19.8 -","18","1","","Fabbiani, Francesca P. A.; Byrne, Lindsay T.; McKinnon, Joshua J.; Spackman, Mark A.","Solvent inclusion in the structural voids of form II carbamazepine: single-crystal X-ray diffraction, NMR spectroscopy and Hirshfeld surface analysis","CrystEngComm","2007","9","9","728","","10.1039/b708303n","","","0.71073","MoKα","","0.0688","0.0512","","0.1554","0.1482","0.1554","","","","","","0.9762","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203010","8.2799","0.0017","8.8747","0.0018","28.103","0.006","90","","95.03","0.03","90","","2057.1","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 B N O3 -","- C26 H22 B N O3 -","- C104 H88 B4 N4 O12 -","4","1","","Zhang, Hongyu; Zhang, Zuolun; Zhang, Jingying; Ye, Kaiqi; Gao, Hongze; Wang, Yue","Polymorphs and a pseudo-polymorphs based on a luminescent boron-containing compound: structural diversity arising from conformational isomers and noncovalent interactions","CrystEngComm","2007","9","10","951","","10.1039/b708384j","","","0.71073","MoKα","","0.0689","0.0412","","","0.1047","0.1202","","","","","","0.903","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203011","13.1","0.003","8.6206","0.0017","18.923","0.004","90","","106.7","0.03","90","","2046.8","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 B N O3 -","- C26 H22 B N O3 -","- C104 H88 B4 N4 O12 -","4","1","","Zhang, Hongyu; Zhang, Zuolun; Zhang, Jingying; Ye, Kaiqi; Gao, Hongze; Wang, Yue","Polymorphs and a pseudo-polymorphs based on a luminescent boron-containing compound: structural diversity arising from conformational isomers and noncovalent interactions","CrystEngComm","2007","9","10","951","","10.1039/b708384j","","","0.71073","MoKα","","0.1195","0.0453","","","0.1029","0.1175","","","","","","0.812","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203012","9.802","0.002","22.74","0.005","11.474","0.002","90","","92.32","0.03","90","","2555.4","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 B Cl3 N O3 -","- C27 H23 B Cl3 N O3 -","- C108 H92 B4 Cl12 N4 O12 -","4","1","","Zhang, Hongyu; Zhang, Zuolun; Zhang, Jingying; Ye, Kaiqi; Gao, Hongze; Wang, Yue","Polymorphs and a pseudo-polymorphs based on a luminescent boron-containing compound: structural diversity arising from conformational isomers and noncovalent interactions","CrystEngComm","2007","9","10","951","","10.1039/b708384j","","","0.71073","MoKα","","0.1889","0.0648","","","0.161","0.2107","","","","","","0.79","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203013","9.848","0.003","9.927","0.003","11.596","0.003","70.257","0.005","65.314","0.004","71.302","0.004","947.9","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H19 Mn N2 O6 -","- C20 H19 Mn N2 O6 -","- C40 H38 Mn2 N4 O12 -","2","1","","Lin, Jian-Guo; Zang, Shuang-Quan; Tian, Zhen-Fang; Li, Yi-Zhi; Xu, Yan-Yan; Zhu, Hui-Zhen; Meng, Qing-Jin","Metal‒organic frameworks constructed from mixed-ligand 1,2,3,4-tetra-(4-pyridyl)-butane and benzene-polycarboxylate acids: syntheses, structures and physical properties","CrystEngComm","2007","9","10","915","","10.1039/b708389k","","","0.71073","MoKα","","0.0417","0.0392","","","0.1039","0.1061","","","","","","0.973","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203014","25.896","0.002","11.0511","0.0009","17.3434","0.0015","90","","118.826","0.002","90","","4348.3","0.6","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H36 N4 O16 Zn3 -","- C42 H36 N4 O16 Zn3 -","- C168 H144 N16 O64 Zn12 -","4","0.5","","Lin, Jian-Guo; Zang, Shuang-Quan; Tian, Zhen-Fang; Li, Yi-Zhi; Xu, Yan-Yan; Zhu, Hui-Zhen; Meng, Qing-Jin","Metal‒organic frameworks constructed from mixed-ligand 1,2,3,4-tetra-(4-pyridyl)-butane and benzene-polycarboxylate acids: syntheses, structures and physical properties","CrystEngComm","2007","9","10","915","","10.1039/b708389k","","","0.71073","MoKα","","0.0874","0.055","","","0.1284","0.1367","","","","","","1.083","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203015","8.6864","0.001","14.2414","0.0018","16.885","0.002","90","","100.046","0.003","90","","2056.8","0.4","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 Co N2 O7 -","- C17 H18 Co N2 O7 -","- C68 H72 Co4 N8 O28 -","4","1","","Lin, Jian-Guo; Zang, Shuang-Quan; Tian, Zhen-Fang; Li, Yi-Zhi; Xu, Yan-Yan; Zhu, Hui-Zhen; Meng, Qing-Jin","Metal‒organic frameworks constructed from mixed-ligand 1,2,3,4-tetra-(4-pyridyl)-butane and benzene-polycarboxylate acids: syntheses, structures and physical properties","CrystEngComm","2007","9","10","915","","10.1039/b708389k","","","0.71073","MoKα","","0.0904","0.0562","","","0.0968","0.1022","","","","","","1.062","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203016","9.4861","0.0019","6.0392","0.0012","32.99","0.007","90","","95.82","0.03","90","","1880.2","0.7","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","N,N,4-tris(pyridin-2-ylmethyl)aniline","N,N,4-tris(pyridin-2-ylmethyl)aniline","","- C24 H22 N4 -","- C24 H22 N4 -","- C96 H88 N16 -","4","1","","Almesåker, Ann; Bourne, Susan A.; Ramon, Gaëlle; Scott, Janet L.; Strauss, Christopher R.","Coordination chemistry of N,N,4-tris(pyridin-2-ylmethyl)aniline: a novel flexible, multimodal ligand","CrystEngComm","2007","9","11","997","","10.1039/b708465j","","","0.71073","MoKα","","0.0653","0.0535","","","0.1125","0.1187","","","","","","1.104","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203017","8.7284","0.0002","17.3023","0.0003","15.7446","0.0004","90","","102.236","0.001","90","","2323.76","0.09","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","none","","","- C24 H22 Cl2 Mn N4 -","- C24 H22 Cl2 Mn N4 -","- C96 H88 Cl8 Mn4 N16 -","4","1","","Almesåker, Ann; Bourne, Susan A.; Ramon, Gaëlle; Scott, Janet L.; Strauss, Christopher R.","Coordination chemistry of N,N,4-tris(pyridin-2-ylmethyl)aniline: a novel flexible, multimodal ligand","CrystEngComm","2007","9","11","997","","10.1039/b708465j","","","0.71073","MoKα","","0.0764","0.0396","","","0.1032","0.1251","","","","","","0.782","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203018","9.4866","0.0003","12.7984","0.0005","13.0868","0.0005","98.379","0.002","104.084","0.002","91.693","0.002","1521.2","0.1","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H22 Cl2.03 Cu N4 O2.79 -","- C24 H22 Cl2 Cu N4 O2.71 -","- C48 H44 Cl4 Cu2 N8 O5.42 -","2","1","","Almesåker, Ann; Bourne, Susan A.; Ramon, Gaëlle; Scott, Janet L.; Strauss, Christopher R.","Coordination chemistry of N,N,4-tris(pyridin-2-ylmethyl)aniline: a novel flexible, multimodal ligand","CrystEngComm","2007","9","11","997","","10.1039/b708465j","","","0.71073","MoKα","","0.1681","0.1534","","","0.3578","0.3674","","","","","","1.208","","","","has coordinates,has disorder","180361","2020-10-21","18:00:00",""
"7203019","9.3562","0.0002","10.2179","0.0002","13.8837","0.0004","101.079","0.001","96.15","0.001","110.015","0.001","1202.18","0.05","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H22 Co N6 O6 -","- C24 H22 Co N6 O6 -","- C48 H44 Co2 N12 O12 -","2","1","","Almesåker, Ann; Bourne, Susan A.; Ramon, Gaëlle; Scott, Janet L.; Strauss, Christopher R.","Coordination chemistry of N,N,4-tris(pyridin-2-ylmethyl)aniline: a novel flexible, multimodal ligand","CrystEngComm","2007","9","11","997","","10.1039/b708465j","","","0.71073","MoKα","","0.0725","0.0377","","","0.0803","0.0889","","","","","","1.044","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203020","8.0308","0.0016","8.6296","0.0017","20.091","0.004","93.94","0.03","92.29","0.03","116.16","0.03","1242.9","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H23 Cu N7 O9 -","- C24 H23 Cu N7 O9 -","- C48 H46 Cu2 N14 O18 -","2","1","","Almesåker, Ann; Bourne, Susan A.; Ramon, Gaëlle; Scott, Janet L.; Strauss, Christopher R.","Coordination chemistry of N,N,4-tris(pyridin-2-ylmethyl)aniline: a novel flexible, multimodal ligand","CrystEngComm","2007","9","11","997","","10.1039/b708465j","","","0.71073","MoKα","","0.0692","0.0648","","","0.1884","0.192","","","","","","1.411","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203021","10.6604","0.0002","10.7821","0.0002","11.5302","0.0002","80.902","0.001","84.283","0.001","79.048","0.001","1281.48","0.04","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H30 Co N4 O6 S -","- C26 H30 Co N4 O6 S -","- C52 H60 Co2 N8 O12 S2 -","2","1","","Almesåker, Ann; Bourne, Susan A.; Ramon, Gaëlle; Scott, Janet L.; Strauss, Christopher R.","Coordination chemistry of N,N,4-tris(pyridin-2-ylmethyl)aniline: a novel flexible, multimodal ligand","CrystEngComm","2007","9","11","997","","10.1039/b708465j","","","0.71073","MoKα","","0.0748","0.043","","","0.0947","0.105","","","","","","1.033","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203022","9.4677","0.0002","10.179","0.0002","16.2431","0.0004","79.789","0.001","75.907","0.001","71.378","0.001","1430.31","0.06","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H29 Cu N4 O8.25 S1.25 -","- C24 H22.5 Cu N4 O8.26 S1.25 -","- C48 H45 Cu2 N8 O16.52 S2.5 -","2","1","","Almesåker, Ann; Bourne, Susan A.; Ramon, Gaëlle; Scott, Janet L.; Strauss, Christopher R.","Coordination chemistry of N,N,4-tris(pyridin-2-ylmethyl)aniline: a novel flexible, multimodal ligand","CrystEngComm","2007","9","11","997","","10.1039/b708465j","","","0.71073","MoKα","","0.0552","0.0488","","","0.1478","0.1542","","","","","","1.062","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203023","8.4675","0.0001","12.8704","0.0002","24.3518","0.0004","90","","90","","90","","2653.86","0.07","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 Cl4 Cu2 N4 O2 -","- C24 H22 Cl4 Cu2 N4 O2 -","- C96 H88 Cl16 Cu8 N16 O8 -","4","1","","Almesåker, Ann; Bourne, Susan A.; Ramon, Gaëlle; Scott, Janet L.; Strauss, Christopher R.","Coordination chemistry of N,N,4-tris(pyridin-2-ylmethyl)aniline: a novel flexible, multimodal ligand","CrystEngComm","2007","9","11","997","","10.1039/b708465j","","","0.71073","MoKα","","0.0823","0.0433","","","0.1026","0.1263","","","","","","0.765","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203024","8.5212","0.0002","12.8596","0.0003","24.1208","0.0005","90","","90","","90","","2643.14","0.1","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24.2 H22 Cl4 Cu2 N4 O0.2 -","- C24.2 H22 Cl4 Cu2 N4 O0.2 -","- C96.8 H88 Cl16 Cu8 N16 O0.8 -","4","1","","Almesåker, Ann; Bourne, Susan A.; Ramon, Gaëlle; Scott, Janet L.; Strauss, Christopher R.","Coordination chemistry of N,N,4-tris(pyridin-2-ylmethyl)aniline: a novel flexible, multimodal ligand","CrystEngComm","2007","9","11","997","","10.1039/b708465j","","","0.71073","MoKα","","0.0786","0.0431","","","0.077","0.0853","","","","","","0.977","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203025","22.2733","0.0012","22.2733","0.0012","8.9917","0.0003","90","","90","","90","","4460.8","0.4","123","2","123","2","","","","","","","","5","P 42/n :2","-P 4bc","86","[Y(BA)3(DMSO)]n","poly[tris(benzoato)(dimethylsulphoxide)yttrium(III)]","","- C23 H21 O7 S Y -","- C23 H21 O7 S Y -","- C184 H168 O56 S8 Y8 -","8","1","","Deacon, Glen B.; Hein, Stefanie; Junk, Peter C.; Jüstel, Thomas; Lee, Winnie; Turner, David R.","Structural variations in rare earth benzoate complexes : Part II. Yttrium and terbium","CrystEngComm","2007","9","11","1110","","10.1039/b708589c","","","0.71073","MoKα","","0.0917","0.0456","","","0.0661","0.0741","","","","","","0.998","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7203026","22.2964","0.0003","22.2964","0.0003","8.9633","0.0002","90","","90","","90","","4455.92","0.13","123","2","123","2","","","","","","","","5","P 42/n :2","-P 4bc","86","[Tb(BA)3(DMSO)]n","poly[tris(benzoato)(dimethylsulphoxide)terbium(III)]","","- C23 H21 O7 S Tb -","- C23 H21 O7 S Tb -","- C184 H168 O56 S8 Tb8 -","8","1","","Deacon, Glen B.; Hein, Stefanie; Junk, Peter C.; Jüstel, Thomas; Lee, Winnie; Turner, David R.","Structural variations in rare earth benzoate complexes : Part II. Yttrium and terbium","CrystEngComm","2007","9","11","1110","","10.1039/b708589c","","","0.71073","MoKα","","0.0193","0.017","","","0.0353","0.0363","","","","","","1.037","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7203027","11.5806","0.0006","8.3012","0.0012","24.9731","0.0007","90","","101.617","0.006","90","","2351.6","0.4","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Y(BA)3(H2O)(DMF)]2","bis[(aqua)tris(benzoato)(dimethylformamide)yttrium(III)]","","- C48 H48 N2 O16 Y2 -","- C48 H48 N2 O16 Y2 -","- C96 H96 N4 O32 Y4 -","2","0.5","","Deacon, Glen B.; Hein, Stefanie; Junk, Peter C.; Jüstel, Thomas; Lee, Winnie; Turner, David R.","Structural variations in rare earth benzoate complexes : Part II. Yttrium and terbium","CrystEngComm","2007","9","11","1110","","10.1039/b708589c","","","0.71073","MoKα","","0.0922","0.0502","","","0.1128","0.123","","","","","","0.88","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203028","8.0308","0.0003","13.9735","0.0006","19.0422","0.0008","90","","90","","90","","2136.88","0.15","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","[Y(2-MeBA)3]n","poly[tri(2-methylbenzoato)yttrium]","","- C24 H21 O6 Y -","- C24 H21 O6 Y -","- C96 H84 O24 Y4 -","4","1","","Deacon, Glen B.; Hein, Stefanie; Junk, Peter C.; Jüstel, Thomas; Lee, Winnie; Turner, David R.","Structural variations in rare earth benzoate complexes : Part II. Yttrium and terbium","CrystEngComm","2007","9","11","1110","","10.1039/b708589c","","","0.71073","MoKα","","0.036","0.0279","","","0.0565","0.0594","","","","","","0.803","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203029","27.125","0.005","8.6116","0.0017","23.062","0.005","90","","105.1","0.03","90","","5201","1.9","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","SH7DMF","bis[tris(3-methylbenzoato)(dimethylformamide)yttrium(III)]","","- C54 H60 N2 O16 Y2 -","- C54 H60 N2 O16 Y2 -","- C216 H240 N8 O64 Y8 -","4","0.5","","Deacon, Glen B.; Hein, Stefanie; Junk, Peter C.; Jüstel, Thomas; Lee, Winnie; Turner, David R.","Structural variations in rare earth benzoate complexes : Part II. Yttrium and terbium","CrystEngComm","2007","9","11","1110","","10.1039/b708589c","","","0.71073","MoKα","","0.0821","0.052","","","0.1168","0.1323","","","","","","1.039","","","","has coordinates,has disorder","180361","2020-10-21","18:00:00",""
"7203030","8.5731","0.0017","12.059","0.002","16.072","0.003","106.75","0.03","96.04","0.02","102.04","0.03","1531.6","0.6","123","2","123","2","","","","","","","","5","P -1","-P 1","2","[Y(3-MeBA)3(DMSO)(H2O)]2.2DMSO","bis[(aqua)(dimethylsulphoxide)tris(3-methylbenzoate)yttrium (III)].dmso solvate","","- C56 H70 O18 S4 Y2 -","- C56 H70 O18 S4 Y2 -","- C56 H70 O18 S4 Y2 -","1","0.5","","Deacon, Glen B.; Hein, Stefanie; Junk, Peter C.; Jüstel, Thomas; Lee, Winnie; Turner, David R.","Structural variations in rare earth benzoate complexes : Part II. Yttrium and terbium","CrystEngComm","2007","9","11","1110","","10.1039/b708589c","","","0.71073","MoKα","","0.0543","0.0439","","","0.1074","0.1127","","","","","","1.023","","","","has coordinates,has disorder","180361","2020-10-21","18:00:00",""
"7203031","8.5475","0.0004","13.4364","0.0008","14.1992","0.0008","99.577","0.002","106.649","0.003","102.216","0.002","1481.45","0.14","123","2","123","2","","","","","","","","5","P -1","-P 1","2","{[Y(4-MeBA)3(DMSO)(H2O)].DMSO}2","","","- C56 H70 O18 S4 Y2 -","- C56 H70 O18 S4 Y2 -","- C56 H70 O18 S4 Y2 -","1","0.5","","Deacon, Glen B.; Hein, Stefanie; Junk, Peter C.; Jüstel, Thomas; Lee, Winnie; Turner, David R.","Structural variations in rare earth benzoate complexes : Part II. Yttrium and terbium","CrystEngComm","2007","9","11","1110","","10.1039/b708589c","","","0.71073","MoKα","","0.0807","0.052","","","0.0978","0.1091","","","","","","1.016","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203032","8.2242","0.0004","13.0741","0.0008","13.1527","0.0008","90.801","0.004","105.04","0.003","106.894","0.003","1300.72","0.13","123","2","123","2","","","","","","","","5","P -1","-P 1","2","poly[(dmf)tris(3-nitrobenzoato)yttrium(III)]","poly[tris(3-nitrobenzoate)yttrium(III)(DMF)]","","- C24 H19 N4 O13 Y -","- C24 H19 N4 O13 Y -","- C48 H38 N8 O26 Y2 -","2","1","","Deacon, Glen B.; Hein, Stefanie; Junk, Peter C.; Jüstel, Thomas; Lee, Winnie; Turner, David R.","Structural variations in rare earth benzoate complexes : Part II. Yttrium and terbium","CrystEngComm","2007","9","11","1110","","10.1039/b708589c","","","0.71073","MoKα","","0.0779","0.0444","","","0.0913","0.1034","","","","","","1.019","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203033","8.2095","0.0002","13.1346","0.0003","13.1596","0.0004","91.09","0.001","106.536","0.001","104.418","0.002","1311.26","0.06","123","2","123","2","","","","","","","","5","P -1","-P 1","2","[Tb(3-NO2BA)3(DMF)]n","","","- C24 H19 N4 O13 Tb -","- C24 H19 N4 O13 Tb -","- C48 H38 N8 O26 Tb2 -","2","1","","Deacon, Glen B.; Hein, Stefanie; Junk, Peter C.; Jüstel, Thomas; Lee, Winnie; Turner, David R.","Structural variations in rare earth benzoate complexes : Part II. Yttrium and terbium","CrystEngComm","2007","9","11","1110","","10.1039/b708589c","","","0.71073","MoKα","","0.0766","0.0507","","","0.1006","0.1109","","","","","","1.045","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203034","10.4247","0.0005","16.1016","0.0008","18.7135","0.0006","93.351","0.002","101.038","0.002","106.429","0.003","2935.9","0.2","123","1","123","2","","","","","","","","6","P -1","-P 1","2","SH5DMSO","poly[hexa(3-nitrobenzoato)(dimethylsulphoxide)bis(aqua)bisyttrium (III)].DMSO solvate","","- C48 H46 N6 O29 S3 Y2 -","- C48 H46 N6 O29 S3 Y2 -","- C96 H92 N12 O58 S6 Y4 -","2","1","","Deacon, Glen B.; Hein, Stefanie; Junk, Peter C.; Jüstel, Thomas; Lee, Winnie; Turner, David R.","Structural variations in rare earth benzoate complexes : Part II. Yttrium and terbium","CrystEngComm","2007","9","11","1110","","10.1039/b708589c","","","0.71073","MoKα","","0.0852","0.0445","","","0.0902","0.1037","","","","","","0.987","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203035","9.6946","0.0001","26.4487","0.0004","14.4156","0.0002","90","","105.594","0.001","90","","3560.24","0.08","123","1","123","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Tb(4-NO2BA)3(DMF)]2.4DMF","bis[(dimethylformamide)tris(4-nitrobenzoato)terbium (III)].4dimethylformamide","","- C60 H70 N12 O32 Tb2 -","- C60 H70 N12 O32 Tb2 -","- C120 H140 N24 O64 Tb4 -","2","0.5","","Deacon, Glen B.; Hein, Stefanie; Junk, Peter C.; Jüstel, Thomas; Lee, Winnie; Turner, David R.","Structural variations in rare earth benzoate complexes : Part II. Yttrium and terbium","CrystEngComm","2007","9","11","1110","","10.1039/b708589c","","","0.71073","MoKα","","0.0314","0.027","","","0.0587","0.0606","","","","","","1.059","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7203036","9.9516","0.0003","10.5178","0.0003","15.9228","0.0005","98.84","0.001","96.54","0.001","107.148","0.002","1551.09","0.08","123","1","123","1","","","","","","","","6","P -1","-P 1","2","{[(H2O)2(DMSO)(4-NO2BA)3Y]DMSO}n","poly{[bis(aqua)(dimethylsulphoxide)tris(4-nitrobenzoate)yttrium(III)] dimethylsulphoxide}","","- C25 H28 N3 O16 S2 Y -","- C25 H28 N3 O16 S2 Y -","- C50 H56 N6 O32 S4 Y2 -","2","1","","Deacon, Glen B.; Hein, Stefanie; Junk, Peter C.; Jüstel, Thomas; Lee, Winnie; Turner, David R.","Structural variations in rare earth benzoate complexes : Part II. Yttrium and terbium","CrystEngComm","2007","9","11","1110","","10.1039/b708589c","","","0.71073","MoKα","","0.0338","0.027","","","0.065","0.0679","","","","","","1.023","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203037","9.9572","0.0003","10.5317","0.0004","15.9559","0.0006","98.894","0.002","96.585","0.001","107.184","0.002","1556.36","0.1","123","2","123","2","","","","","","","","6","P -1","-P 1","2","{[Tb(4-NO2BA)3(DMSO)(H2O)2].DMSO}n","poly{[bis(aqua)(dimethylsulphoxide)tris(4-nitrobenzoato)terbium (III)].dimethylsulphoxide}","","- C25 H28 N3 O16 S2 Tb -","- C25 H28 N3 O16 S2 Tb -","- C50 H56 N6 O32 S4 Tb2 -","2","1","","Deacon, Glen B.; Hein, Stefanie; Junk, Peter C.; Jüstel, Thomas; Lee, Winnie; Turner, David R.","Structural variations in rare earth benzoate complexes : Part II. Yttrium and terbium","CrystEngComm","2007","9","11","1110","","10.1039/b708589c","","","0.71073","MoKα","","0.0498","0.0381","","","0.0715","0.0758","","","","","","1.038","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203038","8.3522","0.0013","24.8189","0.003","14.2312","0.0021","90","","106.889","0.006","90","","2822.8","0.7","123","1","123","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Y(4-MeOBA)3(H2O)(DMF)]2","di[(aqua)(dimethylformamide)tris(4-methoxybenzoato)yttrium(III)]","","- C54 H60 N2 O22 Y2 -","- C54 H60 N2 O22 Y2 -","- C108 H120 N4 O44 Y4 -","2","0.5","","Deacon, Glen B.; Hein, Stefanie; Junk, Peter C.; Jüstel, Thomas; Lee, Winnie; Turner, David R.","Structural variations in rare earth benzoate complexes : Part II. Yttrium and terbium","CrystEngComm","2007","9","11","1110","","10.1039/b708589c","","","0.71073","MoKα","","0.1054","0.0418","","","0.0818","0.1037","","","","","","0.968","","","","has coordinates,has disorder","180361","2020-10-21","18:00:00",""
"7203039","8.3594","0.0003","24.7689","0.0008","14.2505","0.0005","90","","106.805","0.001","90","","2824.6","0.17","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[(dmf/dsmo)(4-MeOBA)3Tb]2","bis[(dimethylformamide)tri(4-methoxybenzoato)terbium(III)]","","- C53.91 H59.91 N1.91 O22 S0.09 Tb2 -","- C53.906 H59.906 N1.906 O22 S0.094 Tb2 -","- C107.812 H119.812 N3.812 O44 S0.188 Tb4 -","2","0.5","","Deacon, Glen B.; Hein, Stefanie; Junk, Peter C.; Jüstel, Thomas; Lee, Winnie; Turner, David R.","Structural variations in rare earth benzoate complexes : Part II. Yttrium and terbium","CrystEngComm","2007","9","11","1110","","10.1039/b708589c","","","0.71073","MoKα","","0.0242","0.0206","","","0.0457","0.0475","","","","","","1.075","","","","has coordinates,has disorder","180361","2020-10-21","18:00:00",""
"7203040","8.3013","0.0002","24.635","0.0005","14.0564","0.0003","90","","105.388","0.001","90","","2771.52","0.11","123","1","123","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Tb(4-MeOBA)3(DMSO)(H2O)]2","","","- C52 H58 O22 S2 Tb2 -","- C52 H58 O22 S2 Tb2 -","- C104 H116 O44 S4 Tb4 -","2","0.5","","Deacon, Glen B.; Hein, Stefanie; Junk, Peter C.; Jüstel, Thomas; Lee, Winnie; Turner, David R.","Structural variations in rare earth benzoate complexes : Part II. Yttrium and terbium","CrystEngComm","2007","9","11","1110","","10.1039/b708589c","","","0.71073","MoKα","","0.034","0.0258","","","0.0532","0.0571","","","","","","1.036","","","","has coordinates,has disorder","180361","2020-10-21","18:00:00",""
"7203041","9.5399","0.0009","12.0328","0.0011","12.2882","0.0012","101.156","0.004","100.498","0.004","99.211","0.004","1332.6","0.2","100","2","100","2","","","","","","","","4","P 1","P 1","1","L-leucyl-L-leucyl-L-leucine - pyridine clathrate (1:1)","","","- C23 H40 N4 O4 -","- C23 H40 N4 O4 -","- C46 H80 N8 O8 -","2","2","","Burchell, Tara J.; Soldatov, Dmitriy V.; Enright, Gary D.; Ripmeester, John A.","The ability of lower peptides to form co-crystals: inclusion compounds of Leu-Leu-Leu tripeptide with pyridine and picolines","CrystEngComm","2007","9","10","922","","10.1039/b708695d","","","0.71073","MoKα","","0.0959","0.0757","","","0.1945","0.2169","","","","","","1.038","","","","has coordinates,has disorder","180361","2020-10-21","18:00:00",""
"7203042","9.5544","0.0005","12.1536","0.0007","12.369","0.0007","102.81","0.003","105.373","0.002","97.475","0.002","1322.91","0.13","100","2","100","2","","","","","","","","4","P 1","P 1","1","L-leucyl-L-leucyl-L-leucine - 2-methylpyridine clathrate (1:1:0.12)","","","- C24 H42.24 N4 O4.12 -","- C24 H42 N4 O4.125 -","- C48 H84 N8 O8.25 -","2","2","","Burchell, Tara J.; Soldatov, Dmitriy V.; Enright, Gary D.; Ripmeester, John A.","The ability of lower peptides to form co-crystals: inclusion compounds of Leu-Leu-Leu tripeptide with pyridine and picolines","CrystEngComm","2007","9","10","922","","10.1039/b708695d","","","0.71073","MoKα","","0.0573","0.0534","","","0.1418","0.1456","","","","","","1.038","","","","has coordinates,has disorder","180361","2020-10-21","18:00:00",""
"7203043","9.5671","0.0014","12.091","0.002","12.44","0.002","102.069","0.008","101.335","0.007","99.598","0.007","1346.9","0.4","100","2","100","2","","","","","","","","4","P 1","P 1","1","L-leucyl-L-leucyl-L-leucine - 3-methylpyridine clathrate (1:1)","","","- C24 H42 N4 O4 -","- C24 H42 N4 O4 -","- C48 H84 N8 O8 -","2","2","","Burchell, Tara J.; Soldatov, Dmitriy V.; Enright, Gary D.; Ripmeester, John A.","The ability of lower peptides to form co-crystals: inclusion compounds of Leu-Leu-Leu tripeptide with pyridine and picolines","CrystEngComm","2007","9","10","922","","10.1039/b708695d","","","0.71073","MoKα","","0.1744","0.1291","","","0.3111","0.3669","","","","","","1.114","","","","has coordinates,has disorder","180361","2020-10-21","18:00:00",""
"7203044","9.5358","0.0006","23.642","0.0017","12.0899","0.0008","90","","98.904","0.003","90","","2692.8","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-leucyl-L-leucyl-L-leucine - 4-methylpyridine clathrate (1:1:0.14)","","","- C24 H42.28 N4 O4.14 -","- C24 H42 N4 O4.14 -","- C96 H168 N16 O16.56 -","4","2","","Burchell, Tara J.; Soldatov, Dmitriy V.; Enright, Gary D.; Ripmeester, John A.","The ability of lower peptides to form co-crystals: inclusion compounds of Leu-Leu-Leu tripeptide with pyridine and picolines","CrystEngComm","2007","9","10","922","","10.1039/b708695d","","","0.71073","MoKα","","0.0691","0.0436","","","0.0985","0.1129","","","","","","1.032","","","","has coordinates,has disorder","180361","2020-10-21","18:00:00",""
"7203046","14.3232","0.0008","18.5768","0.0012","12.4832","0.0008","90","","111.061","0.004","90","","3099.6","0.3","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 N2 Ni O4 P2 S6 -","- C26 H28 N2 Ni O4 P2 S6 -","- C104 H112 N8 Ni4 O16 P8 S24 -","4","1","","Aragoni, M. Carla; Arca, Massimiliano; Crespo, Miriam; Devillanova, Francesco A.; Hursthouse, Michael B.; Huth, Susanne L.; Isaia, Francesco; Lippolis, Vito; Verani, Gaetano","Predictable and unpredictable reactions between 4,4′-dipyridyldisulfide and phosphonodithioato/dithiophosphato NiII complexes: novel coordination polymers and the unique example of 4,4′-dipyridyltrisulfide","CrystEngComm","2007","9","10","873","","10.1039/b708972d","","","0.71073","MoKα","","0.0321","0.028","","","0.0679","0.0703","","","","","","1.03","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203047","17.618","0.003","8.0323","0.0016","25.068","0.005","90","","100.63","0.03","90","","3486.6","1.2","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H32 N2 Ni O4 P2 S7 -","- C28 H32 N2 Ni O4 P2 S7 -","- C112 H128 N8 Ni4 O16 P8 S28 -","4","0.5","","Aragoni, M. Carla; Arca, Massimiliano; Crespo, Miriam; Devillanova, Francesco A.; Hursthouse, Michael B.; Huth, Susanne L.; Isaia, Francesco; Lippolis, Vito; Verani, Gaetano","Predictable and unpredictable reactions between 4,4′-dipyridyldisulfide and phosphonodithioato/dithiophosphato NiII complexes: novel coordination polymers and the unique example of 4,4′-dipyridyltrisulfide","CrystEngComm","2007","9","10","873","","10.1039/b708972d","","","0.71073","MoKα","","0.0725","0.0709","","","0.1914","0.1941","","","","","","1.485","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203048","8.1601","0.0004","9.4126","0.0011","17.9991","0.0009","99.453","0.007","99.986","0.005","94.511","0.009","1334.85","0.19","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H28 N2 Ni O4 P2 S5 -","- C18 H28 N2 Ni O4 P2 S5 -","- C36 H56 N4 Ni2 O8 P4 S10 -","2","1","","Aragoni, M. Carla; Arca, Massimiliano; Crespo, Miriam; Devillanova, Francesco A.; Hursthouse, Michael B.; Huth, Susanne L.; Isaia, Francesco; Lippolis, Vito; Verani, Gaetano","Predictable and unpredictable reactions between 4,4′-dipyridyldisulfide and phosphonodithioato/dithiophosphato NiII complexes: novel coordination polymers and the unique example of 4,4′-dipyridyltrisulfide","CrystEngComm","2007","9","10","873","","10.1039/b708972d","","","0.71073","MoKα","","0.0402","0.0393","","","0.1251","0.1264","","","","","","1.212","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203049","11.6911","0.0012","9.9945","0.001","12.1366","0.0012","90","","102.743","0.005","90","","1383.2","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 N4 O6 -","- C14 H14 N4 O6 -","- C56 H56 N16 O24 -","4","0.5","","Schmidtmann, Marc; Gutmann, Matthias J.; Middlemiss, Derek S.; Wilson, Chick C.","Towards proton transfer in hydrogen bonded molecular complexes: joint experimental and theoretical modelling and an energy scale for polymorphism","CrystEngComm","2007","9","9","743","","10.1039/b709136m","","","0.71073","MoKα","","0.0383","0.0356","","","0.1085","0.111","","","","","","1.088","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203050","3.6811","0.0007","7.5912","0.0014","12.455","0.002","85.638","0.009","87.856","0.01","84.221","0.01","345.11","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H14 N4 O6 -","- C14 H14 N4 O6 -","- C14 H14 N4 O6 -","1","0.5","","Schmidtmann, Marc; Gutmann, Matthias J.; Middlemiss, Derek S.; Wilson, Chick C.","Towards proton transfer in hydrogen bonded molecular complexes: joint experimental and theoretical modelling and an energy scale for polymorphism","CrystEngComm","2007","9","9","743","","10.1039/b709136m","","","0.71073","MoKα","","0.0476","0.0405","","","0.1153","0.1212","","","","","","1.046","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203051","15.067","0.01","15.478","0.007","23.36","0.02","101.02","0.06","99.84","0.08","105.1","0.04","5021","6","100","2","100","2","","","","","","","","4","P 1","P 1","1","cyclomaltoheptaose + N,N'-Bis-pyridin-4-ylmethylene-hydrazine inclusion complex","cyclomaltoheptaose + N,N'-Bis-pyridin-4-ylmethylene-hydrazine inclusion complex","","- C150 H165.28 N8 O142.05 -","- C150 H165.28 N8 O142.06 -","- C150 H165.28 N8 O142.06 -","1","1","","Chatziefthimiou, Spyros D.; Yannakopoulou, Konstantina; Mavridis, Irene M.","β-Cyclodextrin trimers enclosing an unusual organization of guest: The inclusion complex β-cyclodextrin/4-pyridinealdazine","CrystEngComm","2007","9","11","976","","10.1039/b709155a","","","0.8015","SYNCHROTRON","","0.0681","0.0653","","","0.1772","0.1804","","","","","","1.037","","","","has coordinates,has disorder","180361","2020-10-21","18:00:00",""
"7203052","7.1982","0.0005","8.634","0.0006","9.2042","0.0007","105.813","0.001","99.892","0.001","112.181","0.001","484.83","0.06","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C10 H16 Cs2 N4 Ni O14 -","- C10 H16 Cs2 N4 Ni O14 -","- C10 H16 Cs2 N4 Ni O14 -","1","0.5","","Falvello, Larry R.; Ferrer, Daniel; Piedrafita, María; Soler, Tatiana; Tomás, Milagros","Using the crystal to engineer the molecule: cis-trans-isomer selection in anionic bis(orotate) complexes","CrystEngComm","2007","9","10","852","","10.1039/b709168k","","","0.71073","MoKα","","0.0147","0.014","","","0.0359","0.0363","","","","","","1.008","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203053","12.1915","0.0004","12.3098","0.0006","16.4178","0.0007","90.374","0.004","96.009","0.003","95.849","0.003","2437.24","0.18","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C42 H84 N6 Ni O12 -","- C42 H82 N6 Ni O12 -","- C84 H164 N12 Ni2 O24 -","2","1","","Falvello, Larry R.; Ferrer, Daniel; Piedrafita, María; Soler, Tatiana; Tomás, Milagros","Using the crystal to engineer the molecule: cis-trans-isomer selection in anionic bis(orotate) complexes","CrystEngComm","2007","9","10","852","","10.1039/b709168k","","","0.71073","MoKα","","0.1034","0.0758","","","0.1316","0.1422","","","","","","1.139","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203054","7.9761","0.0001","8.2004","0.0001","7.3668","0.0001","90","","103.414","0.001","90","","468.697","0.011","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C H5 N3 O4 -","- C H5 N3 O4 -","- C4 H20 N12 O16 -","4","1","","Nelyubina, Yulia V.; Lyssenko, Konstantin A.; Golovanov, Denis G.; Antipin, Mikhail Yu.","NO3‒⋯NO3‒ and NO3‒⋯π interactions in the crystal of urea nitrate","CrystEngComm","2007","9","11","991","","10.1039/b709180j","","","0.71073","MoKα","","0.048","0.033","","","0.0869","0.0985","","","","","","1","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203056","14.745","0.002","5.7176","0.0005","20.659","0.003","90","","90","","90","","1741.7","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H8 O S -","- C9 H8 O S -","- C72 H64 O8 S8 -","8","1","","Lehane, K. Niamh; Moynihan, Edmond J. A.; Brondel, Nicolas; Lawrence, Simon E.; Maguire, Anita R.","Impact of sulfur substituents on the C‒H⋯O interaction of terminal alkynes in crystal engineering","CrystEngComm","2007","9","11","1041","","10.1039/b709261j","","","0.71073","MoKα","","0.1854","0.0585","","","0.1081","0.14","","","","","","0.998","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203057","5.9369","0.0006","10.9023","0.001","13.2907","0.0019","90","","90","","90","","860.25","0.17","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H8 O S -","- C9 H8 O S -","- C36 H32 O4 S4 -","4","1","","Lehane, K. Niamh; Moynihan, Edmond J. A.; Brondel, Nicolas; Lawrence, Simon E.; Maguire, Anita R.","Impact of sulfur substituents on the C‒H⋯O interaction of terminal alkynes in crystal engineering","CrystEngComm","2007","9","11","1041","","10.1039/b709261j","","","0.71073","MoKα","","0.0345","0.029","","","0.077","0.0836","","","","","","1.091","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203058","22.1885","0.0013","5.6567","0.0005","14.0833","0.0009","90","","90","","90","","1767.6","0.2","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C9 H8 O2 S -","- C9 H8 O2 S -","- C72 H64 O16 S8 -","8","2","","Lehane, K. Niamh; Moynihan, Edmond J. A.; Brondel, Nicolas; Lawrence, Simon E.; Maguire, Anita R.","Impact of sulfur substituents on the C‒H⋯O interaction of terminal alkynes in crystal engineering","CrystEngComm","2007","9","11","1041","","10.1039/b709261j","","","0.71073","MoKα","","0.0554","0.0371","","","0.0888","0.1066","","","","","","1.153","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203059","6.0507","0.001","9.6244","0.0011","7.9662","0.0006","90","","109.273","0.01","90","","437.91","0.1","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H8 O2 S -","- C9 H8 O2 S -","- C18 H16 O4 S2 -","2","1","","Lehane, K. Niamh; Moynihan, Edmond J. A.; Brondel, Nicolas; Lawrence, Simon E.; Maguire, Anita R.","Impact of sulfur substituents on the C‒H⋯O interaction of terminal alkynes in crystal engineering","CrystEngComm","2007","9","11","1041","","10.1039/b709261j","","","0.71073","MoKα","","0.0583","0.0562","","","0.1452","0.1476","","","","","","1.172","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203060","6.7881","0.0004","7.9542","0.0004","8.7386","0.0004","94.048","0.005","92.037","0.006","95.872","0.007","467.75","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H10 O S -","- C10 H10 O S -","- C20 H20 O2 S2 -","2","1","","Lehane, K. Niamh; Moynihan, Edmond J. A.; Brondel, Nicolas; Lawrence, Simon E.; Maguire, Anita R.","Impact of sulfur substituents on the C‒H⋯O interaction of terminal alkynes in crystal engineering","CrystEngComm","2007","9","11","1041","","10.1039/b709261j","","","0.71073","MoKα","","0.0552","0.0399","","","0.1012","0.1156","","","","","","1.129","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203061","10.5942","0.0007","7.9196","0.0003","11.5721","0.0005","90","","98.59","0.004","90","","960.03","0.08","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 O2 S -","- C10 H10 O2 S -","- C40 H40 O8 S4 -","4","1","","Lehane, K. Niamh; Moynihan, Edmond J. A.; Brondel, Nicolas; Lawrence, Simon E.; Maguire, Anita R.","Impact of sulfur substituents on the C‒H⋯O interaction of terminal alkynes in crystal engineering","CrystEngComm","2007","9","11","1041","","10.1039/b709261j","","","0.71069","MoKα","","0.0503","0.0388","","","0.1019","0.1151","","","","","","1.118","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203062","7.9083","0.0004","8.889","0.0004","14.4521","0.0007","90","","90","","90","","1015.94","0.08","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H10 O3 S -","- C10 H10 O3 S -","- C40 H40 O12 S4 -","4","1","","Lehane, K. Niamh; Moynihan, Edmond J. A.; Brondel, Nicolas; Lawrence, Simon E.; Maguire, Anita R.","Impact of sulfur substituents on the C‒H⋯O interaction of terminal alkynes in crystal engineering","CrystEngComm","2007","9","11","1041","","10.1039/b709261j","","","0.71069","MoKα","","0.0365","0.029","","","0.0675","0.0766","","","","","","1.133","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203063","7.389","0.001","8.134","0.003","8.474","0.002","109.23","0.02","98.6","0.02","106.01","0.02","445.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H7 F O2 S -","- C9 H7 F O2 S -","- C18 H14 F2 O4 S2 -","2","1","","Lehane, K. Niamh; Moynihan, Edmond J. A.; Brondel, Nicolas; Lawrence, Simon E.; Maguire, Anita R.","Impact of sulfur substituents on the C‒H⋯O interaction of terminal alkynes in crystal engineering","CrystEngComm","2007","9","11","1041","","10.1039/b709261j","","","0.71073","MoKα","","0.1602","0.078","","","0.234","0.3204","","","","","","1.066","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203064","6.586","0.0002","10.1867","0.0003","16.9358","0.0006","90","","90","","90","","1136.22","0.06","240","2","240","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 O3 S -","- C11 H12 O3 S -","- C44 H48 O12 S4 -","4","1","","Lehane, K. Niamh; Moynihan, Edmond J. A.; Brondel, Nicolas; Lawrence, Simon E.; Maguire, Anita R.","Impact of sulfur substituents on the C‒H⋯O interaction of terminal alkynes in crystal engineering","CrystEngComm","2007","9","11","1041","","10.1039/b709261j","","","0.71073","MoKα","","0.044","0.0325","","","0.0753","0.08","","","","","","1.037","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203066","5.8976","0.001","16.381","0.003","16.464","0.003","90","","90","","90","","1590.6","0.5","303","2","303","2","","","101","","","","synthetic","5","P 21 21 21","P 2ac 2ab","19","none","(10-nitro-phenantren-9-yl)(phenyl)sulphide","","- C20 H13 N O2 S -","- C20 H13 N O2 S -","- C80 H52 N4 O8 S4 -","4","1","","Lennartson, Anders; Wiklund, Tove; Håkansson, Mikael","Concomitant formation of chiral and racemic crystals of a diaryl sulfide","CrystEngComm","2007","9","10","856","","10.1039/b709387j","","x-ray","0.71073","mokα","","0.0327","0.0298","","","0.078","0.0793","","","","","","1.051","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203067","8.6557","0.0015","12.706","0.002","14.439","0.003","90","","94.42","0.007","90","","1583.3","0.5","303","2","303","2","","","101","","","","synthetic","5","P 1 21/c 1","-P 2ybc","14","none","(10-nitro-phenantren-9-yl)(phenyl)sulphide","","- C20 H13 N O2 S -","- C20 H13 N O2 S -","- C80 H52 N4 O8 S4 -","4","1","","Lennartson, Anders; Wiklund, Tove; Håkansson, Mikael","Concomitant formation of chiral and racemic crystals of a diaryl sulfide","CrystEngComm","2007","9","10","856","","10.1039/b709387j","","x-ray","0.71073","MoKα","","0.0494","0.0412","","","0.1145","0.119","","","","","","1.069","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203068","10.864","0.002","5.116","0.001","12.282","0.002","90","","104.53","0.01","90","","660.8","0.2","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","catena-(mu-cyanido-kappaC,N)(mu-isonicotinato-kappaN,O) (mu- isonicotinic acid-kappaN,O)dicopper(i)","catena-(μ-cyanido-κC,N)(μ-isonicotinato-κN,O) (μ-isonicotinic acid-κN,O)dicopper(I)","","- C13 H9 Cu2 N3 O4 -","- C13 H9 Cu2 N3 O4 -","- C26 H18 Cu4 N6 O8 -","2","1","","Amo-Ochoa, Pilar; Miguel, Pablo J. Sanz; Castillo, Oscar; Zamora, Félix","An unusual triple parallel interpenetrated 2D Cu-polymer, with a 3D triple interpenetration via H-bonding","CrystEngComm","2007","9","11","987","","10.1039/b709457d","","","0.71069","MoKα","","0.0438","0.0298","","","0.0727","0.0756","","","","","","0.947","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203069","9.5456","0.0006","11.1348","0.0007","37.703","0.002","82.05","0.002","86.294","0.002","66.254","0.002","3632.7","0.4","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H46 Fe N O13 S32 -","- C54 H46 Fe N O13 S32 -","- C108 H92 Fe2 N2 O26 S64 -","2","1","","Lee Martin; Peter Day; Hiroki Akutsu; Jun-ichi Yamada; Shin'ichi Nakatsuji; William Clegg; Ross W. Harrington; Peter N. Horton; Michael B. Hursthouse; Paul McMillan; Steven Firth","Metallic molecular crystals containing chiral or racemic guest molecules","CrystEngComm","2007","9","10","865","","10.1039/b709558a","","","0.6814","synchrotron","","0.0866","0.0469","","","0.097","0.1099","","","","","","1.011","","","","has coordinates,has disorder","180361","2020-10-21","18:00:00",""
"7203070","9.5293","0.0004","11.168","0.0005","37.6039","0.0016","81.788","0.002","86.147","0.001","66.364","0.001","3628.4","0.3","120","2","120","2","","","","","","","","6","P 1","P 1","1","","","","- C54 H46 Fe N O13 S32 -","- C54 H46 Fe N O13 S32 -","- C108 H92 Fe2 N2 O26 S64 -","2","2","","Lee Martin; Peter Day; Hiroki Akutsu; Jun-ichi Yamada; Shin'ichi Nakatsuji; William Clegg; Ross W. Harrington; Peter N. Horton; Michael B. Hursthouse; Paul McMillan; Steven Firth","Metallic molecular crystals containing chiral or racemic guest molecules","CrystEngComm","2007","9","10","865","","10.1039/b709558a","","","0.71073","MoKα","","0.1094","0.0835","","","0.1869","0.2113","","","","","","1.088","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203071","7.802","0.003","8.471","0.003","8.709","0.003","114.3","0.04","96.46","0.03","114.38","0.04","449.3","0.4","293","2","294","2","","","","","","","","4","P -1","-P 1","2","","N,N'-dimesitylethanediamide","","- C20 H24 N2 O2 -","- C20 H24 N2 O2 -","- C20 H24 N2 O2 -","1","0.5","","Piotrkowska, Barbara; Gdaniec, Maria; Milewska, Maria J.; Połoński, Tadeusz","Aryl‒perfluoroaryl stacking interactions, hydrogen bonding and steric effects in controlling the structure of supramolecular assemblies of N,N′-diaryloxalamides","CrystEngComm","2007","9","10","868","","10.1039/b709654b","","","0.71073","MoKα","","0.0638","0.0491","","","0.1418","0.153","","","","","","1.079","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203072","10.875","0.0013","4.72","0.0007","15.978","0.002","90","","107.312","0.011","90","","783","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N'-bis(3,5-dimethylphenyl)ethanediamide","","- C18 H20 N2 O2 -","- C18 H20 N2 O2 -","- C36 H40 N4 O4 -","2","0.5","","Piotrkowska, Barbara; Gdaniec, Maria; Milewska, Maria J.; Połoński, Tadeusz","Aryl‒perfluoroaryl stacking interactions, hydrogen bonding and steric effects in controlling the structure of supramolecular assemblies of N,N′-diaryloxalamides","CrystEngComm","2007","9","10","868","","10.1039/b709654b","","","0.71073","MoKα","","0.0506","0.0459","","","0.1293","0.1345","","","","","","1.1","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203073","9.9263","0.0005","5.6969","0.0005","21.257","0.0013","90","","94.431","0.005","90","","1198.47","0.14","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N,N'-diphenylethanediamide 2,3,4,5,6-pentafluorophenol 1:2","","- C26 H14 F10 N2 O4 -","- C26 H14 F10 N2 O4 -","- C52 H28 F20 N4 O8 -","2","0.5","","Piotrkowska, Barbara; Gdaniec, Maria; Milewska, Maria J.; Połoński, Tadeusz","Aryl‒perfluoroaryl stacking interactions, hydrogen bonding and steric effects in controlling the structure of supramolecular assemblies of N,N′-diaryloxalamides","CrystEngComm","2007","9","10","868","","10.1039/b709654b","","","0.71073","MoKα","","0.0518","0.0465","","","0.1236","0.1289","","","","","","1.087","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203074","6.9797","0.0007","8.1338","0.0007","15.0081","0.0011","78.383","0.007","80.223","0.007","67.53","0.008","767.15","0.12","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","N,N'-dimesitylethanediamide 2,3,4,5,6-pentafluorophenol 1:2","","- C16 H13 F5 N O2 -","- C16 H13 F5 N O2 -","- C32 H26 F10 N2 O4 -","2","1","","Piotrkowska, Barbara; Gdaniec, Maria; Milewska, Maria J.; Połoński, Tadeusz","Aryl‒perfluoroaryl stacking interactions, hydrogen bonding and steric effects in controlling the structure of supramolecular assemblies of N,N′-diaryloxalamides","CrystEngComm","2007","9","10","868","","10.1039/b709654b","","","0.71073","MoKα","","0.0534","0.0429","","","0.1233","0.1293","","","","","","1.154","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203075","15.6385","0.0009","6.974","0.0006","15.1543","0.001","90","","118.275","0.006","90","","1455.6","0.2","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N,N'-bis(2,6-dimethylphenyl)ethanediamide bis-2,3,4,5,6-pentafluorophenol","","- C30 H22 F10 N2 O4 -","- C30 H22 F10 N2 O4 -","- C60 H44 F20 N4 O8 -","2","0.5","","Piotrkowska, Barbara; Gdaniec, Maria; Milewska, Maria J.; Połoński, Tadeusz","Aryl‒perfluoroaryl stacking interactions, hydrogen bonding and steric effects in controlling the structure of supramolecular assemblies of N,N′-diaryloxalamides","CrystEngComm","2007","9","10","868","","10.1039/b709654b","","","0.71073","MoKα","","0.0522","0.0449","","","0.1207","0.127","","","","","","1.106","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203076","7.0285","0.0005","7.5525","0.0005","13.6546","0.0009","91.511","0.005","101.938","0.006","92.892","0.006","707.74","0.08","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","N,N'-bis(3,5-dimethylphenyl)ethanediamide bis-2,3,4,5,6-pentafluorophenol","","- C30 H22 F10 N2 O4 -","- C30 H22 F10 N2 O4 -","- C30 H22 F10 N2 O4 -","1","0.5","","Piotrkowska, Barbara; Gdaniec, Maria; Milewska, Maria J.; Połoński, Tadeusz","Aryl‒perfluoroaryl stacking interactions, hydrogen bonding and steric effects in controlling the structure of supramolecular assemblies of N,N′-diaryloxalamides","CrystEngComm","2007","9","10","868","","10.1039/b709654b","","","0.71073","MoKα","","0.0447","0.0382","","","0.1065","0.1112","","","","","","1.069","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203077","6.9617","0.001","8.311","0.0011","13.3819","0.0019","91.559","0.015","104.416","0.011","92.117","0.011","748.84","0.18","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","N,N'-bis(3,5-dimethylphenyl)ethanediamide bis-2,3,4,5,6-pentafluorobenzoic acid","","- C16 H11 F5 N O3 -","- C16 H11 F5 N O3 -","- C32 H22 F10 N2 O6 -","2","1","","Piotrkowska, Barbara; Gdaniec, Maria; Milewska, Maria J.; Połoński, Tadeusz","Aryl‒perfluoroaryl stacking interactions, hydrogen bonding and steric effects in controlling the structure of supramolecular assemblies of N,N′-diaryloxalamides","CrystEngComm","2007","9","10","868","","10.1039/b709654b","","","0.71073","MoKα","","0.0581","0.0462","","","0.1244","0.132","","","","","","1.069","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203078","11.292","0.006","15.112","0.01","15.805","0.012","90","","90","","90","","2697","3","298.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H38 N4 O4 -","- C26 H31 N4 O4 -","- C104 H124 N16 O16 -","4","1","","Rajesh, B. M.; Iqbal, Javed; Babu, N. Jagadeesh; Nangia, Ashwini","Water mediated tube in tetrapeptide cyclo(Phe-Pro-Leu-Aha) trihydrate and crystal structure of cyclo(d-Phe-Pro-Leu-Aha) anhydrate","CrystEngComm","2007","9","10","860","","10.1039/b709700j","","","0.7107","MoKα","","","0.082","","","","0.097","","","","","","1.133","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203079","9.4493","0.0016","14.125","0.002","21.736","0.004","90","","90","","90","","2901.1","0.8","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","cyclo(Phe-Pro-Leu-Aha)","","","- C26 H44 N4 O7 -","- C26 H44 N4 O7 -","- C104 H176 N16 O28 -","4","1","","Rajesh, B. M.; Iqbal, Javed; Babu, N. Jagadeesh; Nangia, Ashwini","Water mediated tube in tetrapeptide cyclo(Phe-Pro-Leu-Aha) trihydrate and crystal structure of cyclo(d-Phe-Pro-Leu-Aha) anhydrate","CrystEngComm","2007","9","10","860","","10.1039/b709700j","","","0.71073","MoKα","","0.0768","0.0665","","","0.1537","0.1596","","","","","","1.149","","","","has coordinates,has disorder","180361","2020-10-21","18:00:00",""
"7203080","18.473","0.004","37.249","0.007","15.502","0.003","90","","90","","90","","10667","4","293","2","293","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C12 H24 Cu4 I4 N4 -","- C12 H18 Cu4 I4 N4 -","- C192 H288 Cu64 I64 N64 -","16","1","","Bi, Minghui; Li, Guanghua; Hua, Jia; Liu, Xiaomin; Hu, Yawei; Shi, Zhan; Feng, Shouhua","A coordination polymer of copper(i) iodide with 654 topology constructed from Cu4I4(DABCO)4","CrystEngComm","2007","9","11","984","","10.1039/b709852a","","","0.71073","MoKα","","0.1473","0.0771","","","0.21","0.253","","","","","","1.021","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203082","14.367","0.011","16.29","0.013","18.72","0.015","90","","105.06","0.014","90","","4231","6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Fe(tpypy)(tpypyH)](ClO4)3.EtOH","","","- C42 H35 Cl3 Fe N8 O13 -","- C42 H35 Cl3 Fe N8 O13 -","- C168 H140 Cl12 Fe4 N32 O52 -","4","1","","Beves, Jonathon E.; Constable, Edwin C.; Housecroft, Catherine E.; Kepert, Cameron J.; Neuburger, Markus; Price, David J.; Schaffner, Silvia","The conjugate acid of bis{4′-(4-pyridyl)-2,2′:6′,2″-terpyridine}iron(ii) as a self-complementary hydrogen-bonded building block","CrystEngComm","2007","9","11","1073","","10.1039/b710332h","","","0.71073","MoKα","","0.1488","0.0615","","","0.112","0.139","","","","","","0.975","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203083","13.1562","0.0001","20.3741","0.0002","18.8557","0.0002","90","","90","","90","","5054.19","0.08","173","","173","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C46 H33 Fe2 N14 O2 S6 -","- C46 H33 Fe2 N14 O2 S6 -","- C184 H132 Fe8 N56 O8 S24 -","4","0.5","","Beves, Jonathon E.; Constable, Edwin C.; Housecroft, Catherine E.; Kepert, Cameron J.; Neuburger, Markus; Price, David J.; Schaffner, Silvia","The conjugate acid of bis{4′-(4-pyridyl)-2,2′:6′,2″-terpyridine}iron(ii) as a self-complementary hydrogen-bonded building block","CrystEngComm","2007","9","11","1073","","10.1039/b710332h","","","0.71073","MoKα","","0.0445","0.0279","","0.0463","0.0319","0.0319","","","","","","1.0827","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203084","13.3057","0.0001","20.3495","0.0002","18.4014","0.0002","90","","90","","90","","4982.44","0.08","173","","173","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C48 H32 Fe2 N15 S6 -","- C48 H32 Fe2 N15 S6 -","- C192 H128 Fe8 N60 S24 -","4","0.5","","Beves, Jonathon E.; Constable, Edwin C.; Housecroft, Catherine E.; Kepert, Cameron J.; Neuburger, Markus; Price, David J.; Schaffner, Silvia","The conjugate acid of bis{4′-(4-pyridyl)-2,2′:6′,2″-terpyridine}iron(ii) as a self-complementary hydrogen-bonded building block","CrystEngComm","2007","9","11","1073","","10.1039/b710332h","","","0.71073","MoKα","","0.091","0.0701","","0.0432","0.0414","0.0414","","","","","","0.9055","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203085","9.632","0.004","13.811","0.007","11.323","0.005","90","","107.433","0.007","90","","1437.1","1.1","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H28 N8 Ni O11 -","- C19 H28 N8 Ni O11 -","- C38 H56 N16 Ni2 O22 -","2","1","","Wang, Su-Na; Bai, Junfeng; Li, Yi-Zhi; Pan, Yi; Scheer, Manfred; You, Xiao-Zeng","Synthesis, structures and properties of nickel(ii) and cobalt(ii) metal‒organic frameworks based on a flexible tricarboxylate ligand H3TTG and different pyridyl-containing ligands","CrystEngComm","2007","9","11","1084","","10.1039/b710413h","","","0.71073","MoKα","","0.0757","0.0627","","","0.1484","0.1517","","","","","","1.017","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203086","29.059","0.0016","10.0284","0.0005","18.1396","0.001","90","","90","","90","","5286.2","0.5","291","2","291","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C42 H58 N16 Ni2 O19 -","- C42 H58 N16 Ni2 O19 -","- C168 H232 N64 Ni8 O76 -","4","0.5","","Wang, Su-Na; Bai, Junfeng; Li, Yi-Zhi; Pan, Yi; Scheer, Manfred; You, Xiao-Zeng","Synthesis, structures and properties of nickel(ii) and cobalt(ii) metal‒organic frameworks based on a flexible tricarboxylate ligand H3TTG and different pyridyl-containing ligands","CrystEngComm","2007","9","11","1084","","10.1039/b710413h","","","0.71073","MoKα","","0.069","0.0546","","","0.1602","0.1689","","","","","","1.046","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203087","29.1836","0.0017","10.0604","0.0006","18.1377","0.001","90","","90","","90","","5325.2","0.5","291","2","291","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C42 H58 Co2 N16 O19 -","- C42 H58 Co2 N16 O19 -","- C168 H232 Co8 N64 O76 -","4","0.5","","Wang, Su-Na; Bai, Junfeng; Li, Yi-Zhi; Pan, Yi; Scheer, Manfred; You, Xiao-Zeng","Synthesis, structures and properties of nickel(ii) and cobalt(ii) metal‒organic frameworks based on a flexible tricarboxylate ligand H3TTG and different pyridyl-containing ligands","CrystEngComm","2007","9","11","1084","","10.1039/b710413h","","","0.71073","MoKα","","0.0874","0.0643","","","0.1601","0.169","","","","","","1.036","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203088","10.473","0.002","17.597","0.004","14.503","0.003","90","","106.452","0.003","90","","2563.4","0.9","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C84 H92 Co6 N32 O28 -","- C84 H92 Co6 N32 O28 -","- C84 H92 Co6 N32 O28 -","1","0.25","","Wang, Su-Na; Bai, Junfeng; Li, Yi-Zhi; Pan, Yi; Scheer, Manfred; You, Xiao-Zeng","Synthesis, structures and properties of nickel(ii) and cobalt(ii) metal‒organic frameworks based on a flexible tricarboxylate ligand H3TTG and different pyridyl-containing ligands","CrystEngComm","2007","9","11","1084","","10.1039/b710413h","","","0.71073","MoKα","","0.084","0.056","","","0.1101","0.1146","","","","","","1.094","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203089","14.5255","0.0005","7.921","0.0003","14.9241","0.0005","90","","98.607","0.003","90","","1697.78","0.1","0","","293","2","","","","","","","see text","4","P 1 21 1","P 2yb","4","","","","- C34 H65 N O6 -","- C34 H65 N O6 -","- C68 H130 N2 O12 -","2","1","","Tomašić, Vlasta; Štefanić, Zoran","Cholic acid as host for long linear molecules: a series of co-crystals with n-alkylammonia","CrystEngComm","2007","9","11","1124","","10.1039/b710469c","","x-ray","1.54128","CuKα","","0.0628","0.0488","","","0.1402","0.1517","","","","","","1.089","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203090","18.291","0.007","7.973","0.003","20.566","0.007","90","","95.049","0.003","90","","2987.6","1.9","293","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C60 H111 N O12 -","- C60 H89 N O12 -","- C120 H178 N2 O24 -","2","1","","Tomašić, Vlasta; Štefanić, Zoran","Cholic acid as host for long linear molecules: a series of co-crystals with n-alkylammonia","CrystEngComm","2007","9","11","1124","","10.1039/b710469c","","x-ray","1.54184","CuKα","","","0.0896","","","","0.294","","","","","","1.052","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203091","14.6044","0.0007","7.9746","0.0004","17.2816","0.0007","90","","102.785","0.003","90","","1962.79","0.16","293","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38 H73 N O6 -","- C38 H73 N O6 -","- C76 H146 N2 O12 -","2","1","","Tomašić, Vlasta; Štefanić, Zoran","Cholic acid as host for long linear molecules: a series of co-crystals with n-alkylammonia","CrystEngComm","2007","9","11","1124","","10.1039/b710469c","","x-ray","1.54128","CuKα","","","0.0725","","","","0.191","","","","","","1.009","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203092","14.593","0.004","7.99","0.002","18.702","0.008","90","","109.52","0.03","90","","2055.3","1.2","293","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H77 N O6 -","- C40 H77 N O6 -","- C80 H154 N2 O12 -","2","1","","Tomašić, Vlasta; Štefanić, Zoran","Cholic acid as host for long linear molecules: a series of co-crystals with n-alkylammonia","CrystEngComm","2007","9","11","1124","","10.1039/b710469c","","x-ray","1.5412","CuKα","","","0.0726","","","","0.2303","","","","","","1.037","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203093","8.3621","0.0004","11.0698","0.0005","9.8203","0.0005","90","","101.459","0.003","90","","890.91","0.07","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H18 Au2 Cu N6 -","- C12 H18 Au2 Cu N6 -","- C24 H36 Au4 Cu2 N12 -","2","1","","Geisheimer, Andrew R.; Katz, Michael J.; Batchelor, Raymond J.; Leznoff, Daniel B.","Preparation and characterization of two chiral Au(CN)2-based coordination polymers containing (1R,2R)-N,N′-dimethylcyclohexanediamine","CrystEngComm","2007","9","11","1078","","10.1039/b711275k","","","0.71073","MoKα","","0.0536","0.0434","","0.06","0.0558","0.0558","","","","","","0.9877","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203094","7.2413","0.0002","17.2528","0.0005","12.9833","0.0003","90","","90","","90","","1622.04","0.07","293","","293","","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C10 H18 Au Cl Cu N4 O4 -","- C10 H18 Au Cl Cu N4 O4 -","- C40 H72 Au4 Cl4 Cu4 N16 O16 -","4","0.5","","Geisheimer, Andrew R.; Katz, Michael J.; Batchelor, Raymond J.; Leznoff, Daniel B.","Preparation and characterization of two chiral Au(CN)2-based coordination polymers containing (1R,2R)-N,N′-dimethylcyclohexanediamine","CrystEngComm","2007","9","11","1078","","10.1039/b711275k","","","0.71073","MoKα","","0.0554","0.0278","","0.0333","0.0254","0.0254","","","","","","0.7832","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203095","24.0685","0.0006","24.0685","0.0006","10.9542","0.0006","90","","90","","90","","6345.7","0.4","100","2","100","2","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- C48 H168 N40 O100 -","- C48 H48 N40 O101.12 -","- C96 H96 N80 O202.24 -","2","0.0625","","Bardelang, David; Udachin, Konstantin A.; Leek, Donald M.; Ripmeester, John A.","Highly symmetric columnar channels in metal-free cucurbit[n]uril hydrate crystals (n = 6, 8)","CrystEngComm","2007","9","11","973","","10.1039/b711285h","","","0.7107","MoKα","","0.1262","0.1181","","","0.3212","0.3465","","","","","","1.744","","","","has coordinates,has disorder","180361","2020-10-21","18:00:00",""
"7203096","14.4486","0.0003","14.4486","0.0003","10.5175","0.0005","90","","90","","120","","1901.49","0.11","100","2","100.1","1","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C18 H55 Cl N12 O24 -","- C18 H18 Cl N12 O24.02 -","- C36 H36 Cl2 N24 O48.04 -","2","0.0833333","","Bardelang, David; Udachin, Konstantin A.; Leek, Donald M.; Ripmeester, John A.","Highly symmetric columnar channels in metal-free cucurbit[n]uril hydrate crystals (n = 6, 8)","CrystEngComm","2007","9","11","973","","10.1039/b711285h","","","0.7107","MoKα","","0.1581","0.1471","","","0.4227","0.4548","","","","","","2.232","","","","has coordinates,has disorder","180361","2020-10-21","18:00:00",""
"7203097","11.8672","0.0018","12.2217","0.0019","6.4287","0.001","90","","90","","90","","932.4","0.2","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","Pyrazine-N,N'-dioxide","Pyrazine-N,N'-dioxide","","- C4 H4 N2 O2 -","- C4 H4 N2 O2 -","- C32 H32 N16 O16 -","8","1","","Babu, N. Jagadeesh; Nangia, Ashwini","High Z′ polymorphs have shorter C‒H⋯O interactions and O‒H⋯O hydrogen bonds","CrystEngComm","2007","9","11","980","","10.1039/b711739f","","","0.71073","MoKα","","0.0874","0.0605","","","0.1439","0.1584","","","","","","1.151","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203098","3.7239","0.0013","11.01","0.004","5.683","0.002","90","","96.237","0.005","90","","231.62","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Pyrazine-N,N'-dioxide","Pyrazine-N,N'-dioxide","","- C4 H4 N2 O2 -","- C4 H4 N2 O2 -","- C8 H8 N4 O4 -","2","0.5","","Babu, N. Jagadeesh; Nangia, Ashwini","High Z′ polymorphs have shorter C‒H⋯O interactions and O‒H⋯O hydrogen bonds","CrystEngComm","2007","9","11","980","","10.1039/b711739f","","","0.71073","MoKα","","0.0651","0.0564","","","0.1178","0.122","","","","","","1.24","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203099","7.6982","0.0004","10.662","0.0006","19.4343","0.001","87.531","0.001","86.42","0.001","75.938","0.001","1543.67","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H40 Fe N2 O8 -","- C34 H40 Fe N2 O8 -","- C68 H80 Fe2 N4 O16 -","2","1","","Braga, Dario; Giaffreda, Stefano Luca; Grepioni, Fabrizia; Chierotti, Michele R.; Gobetto, Roberto; Palladino, Giuseppe; Polito, Marco","Solvent effect in a “solvent free” reaction","CrystEngComm","2007","9","10","879","","10.1039/b711983f","","","0.71073","MoKα","","0.0516","0.0338","","","0.0843","0.0916","","","","","","0.843","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203100","6.9095","0.0005","10.2699","0.0007","16.4105","0.0011","90","","90","","90","","1164.49","0.14","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H13 N3 O3 -","- C11 H13 N3 O3 -","- C44 H52 N12 O12 -","4","1","","Goswami, Shyamaprosad; Jana, Subrata; Hazra, Anita; Fun, Hoong-Kun; Anjum, Shazia; Atta-ur-Rahman","Recognition of creatinine by weak aromatic acids in solid phase along with their supramolecular network","CrystEngComm","2006","8","9","712","718","10.1039/b609202k","","","0.71073","MoKα","","0.0473","0.0468","","","0.1258","0.1267","","","","","","1.057","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203101","7.6782","0.001","12.4991","0.0016","12.4268","0.0016","90","","101.005","0.002","90","","1170.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H13 N3 O4 -","- C11 H13 N3 O4 -","- C44 H52 N12 O16 -","4","1","","Goswami, Shyamaprosad; Jana, Subrata; Hazra, Anita; Fun, Hoong-Kun; Anjum, Shazia; Atta-ur-Rahman","Recognition of creatinine by weak aromatic acids in solid phase along with their supramolecular network","CrystEngComm","2006","8","9","712","718","10.1039/b609202k","","","0.71073","MoKα","","0.0449","0.0391","","","0.101","0.1066","","","","","","1.068","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203102","12.1682","0.0019","5.045","0.0008","12.494","0.002","90","","108.948","0.002","90","","725.4","0.2","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H11 N3 O3 -","- C4 H11 N3 O3 -","- C16 H44 N12 O12 -","4","1","","Goswami, Shyamaprosad; Jana, Subrata; Hazra, Anita; Fun, Hoong-Kun; Anjum, Shazia; Atta-ur-Rahman","Recognition of creatinine by weak aromatic acids in solid phase along with their supramolecular network","CrystEngComm","2006","8","9","712","718","10.1039/b609202k","","","0.71073","MoKα","","0.0386","0.0375","","","0.1081","0.1102","","","","","","1.068","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203108","7.534","0.002","13.411","0.004","15.404","0.004","90","","97.101","0.005","90","","1544.5","0.7","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Tetrakis(?2-2-nitrobenzoato-O,O?)-diaqua-di-copper(ii)","Tetrakis(?2-2-nitrobenzoato-O,O?)-diaqua-di-copper(ii)","","- C28 H20 Cu2 N4 O18 -","- C28 H20 Cu2 N4 O18 -","- C56 H40 Cu4 N8 O36 -","2","0.5","","Zvicka Deutsch; Janice M. Rubin-Preminger; Joel Bernstein; James Y. Becker","Three crystal forms of tetrakis(μ<small><sub>2</sub></small>-2-nitrobenzoato-<i>O</i>,<i>O</i>′)-diaqua-di-copper(<small>II</small>)","CrystEngComm","2006","","","41","50","10.1039/b511326a","","x-ray","0.71073","MoK\α","","0.0409","0.0316","","","0.0794","0.0873","","","","","","1.037","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203109","26.561","0.003","7.4708","0.0009","16.6522","0.0019","90","","106.51","0.003","90","","3168.1","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Tetrakis(?2-2-nitrobenzoato-O,O?)-diaqua-di-copper(ii)","Tetrakis(?2-2-nitrobenzoato-O,O?)-diaqua-di-copper(ii)","","- C28 H20 Cu2 N4 O18 -","- C28 H20 Cu2 N4 O18 -","- C112 H80 Cu8 N16 O72 -","4","1","","Zvicka Deutsch; Janice M. Rubin-Preminger; Joel Bernstein; James Y. Becker","Three crystal forms of tetrakis(μ<small><sub>2</sub></small>-2-nitrobenzoato-<i>O</i>,<i>O</i>′)-diaqua-di-copper(<small>II</small>)","CrystEngComm","2006","","","41","50","10.1039/b511326a","","x-ray","0.71073","MoK\α","","0.0598","0.0387","","","0.1051","0.1299","","","","","","0.987","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203112","13.689","0.003","8.3977","0.0014","11.3004","0.0014","90","","107.446","0.013","90","","1239.3","0.4","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H10 Ag2 N6 O4 S -","- C8 H10 Ag2 N6 O4 S -","- C32 H40 Ag8 N24 O16 S4 -","4","0.5","","Yueh-Hua Wang; Kuan-Lun Chu; Huan-Ching Chen; Chun-Wei Yeh; Zhi-Kai Chan; Maw-Cherng Suen; Jhy-Der Chen; Ju-Chun Wang","Adjusting the frameworks of polymeric silver(<small>I</small>) complexes with 2-aminopyrimidyl ligands by changing the counterions","CrystEngComm","2006","","","84","93","10.1039/b511584a","","","0.71073","MoKα","","0.0238","0.0223","","","0.054","0.0553","","","","","","1.046","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203113","9.974","0.0018","11.6687","0.0014","9.27","0.0018","90","","90","","90","","1078.9","0.3","295","2","295","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C6 H7.5 Ag Cl N4.5 O4 -","- C6 H7.5 Ag Cl N4.5 O4 -","- C24 H30 Ag4 Cl4 N18 O16 -","4","1","","Yueh-Hua Wang; Kuan-Lun Chu; Huan-Ching Chen; Chun-Wei Yeh; Zhi-Kai Chan; Maw-Cherng Suen; Jhy-Der Chen; Ju-Chun Wang","Adjusting the frameworks of polymeric silver(<small>I</small>) complexes with 2-aminopyrimidyl ligands by changing the counterions","CrystEngComm","2006","","","84","93","10.1039/b511584a","","","0.71073","MoKα","","0.0259","0.0256","","","0.0524","0.0525","","","","","","1.018","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7203114","25.249","0.002","6.2859","0.0009","12.6954","0.0013","90","","90","","90","","2014.9","0.4","295","2","295","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C6 H9 Ag N3 O4 -","- C6 H5 Ag N3 O4 -","- C48 H40 Ag8 N24 O32 -","8","0.5","","Yueh-Hua Wang; Kuan-Lun Chu; Huan-Ching Chen; Chun-Wei Yeh; Zhi-Kai Chan; Maw-Cherng Suen; Jhy-Der Chen; Ju-Chun Wang","Adjusting the frameworks of polymeric silver(<small>I</small>) complexes with 2-aminopyrimidyl ligands by changing the counterions","CrystEngComm","2006","","","84","93","10.1039/b511584a","","","0.71073","MoKα","","0.028","0.0258","","","0.0588","0.0603","","","","","","1.03","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203115","7.9107","0.001","19.287","0.002","12.2767","0.0007","90","","94.902","0.008","90","","1866.2","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H9 Ag N4 O3 -","- C6 H9 Ag N4 O3 -","- C48 H72 Ag8 N32 O24 -","8","2","","Yueh-Hua Wang; Kuan-Lun Chu; Huan-Ching Chen; Chun-Wei Yeh; Zhi-Kai Chan; Maw-Cherng Suen; Jhy-Der Chen; Ju-Chun Wang","Adjusting the frameworks of polymeric silver(<small>I</small>) complexes with 2-aminopyrimidyl ligands by changing the counterions","CrystEngComm","2006","","","84","93","10.1039/b511584a","","","0.71073","MoKα","","0.0381","0.0304","","","0.068","0.0718","","","","","","1.048","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203116","7.6708","0.0006","14.3064","0.0017","11.1349","0.0007","90","","102.022","0.006","90","","1195.16","0.19","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H11 Ag Cl N3 O5 -","- C6 H11 Ag Cl N3 O5 -","- C24 H44 Ag4 Cl4 N12 O20 -","4","1","","Yueh-Hua Wang; Kuan-Lun Chu; Huan-Ching Chen; Chun-Wei Yeh; Zhi-Kai Chan; Maw-Cherng Suen; Jhy-Der Chen; Ju-Chun Wang","Adjusting the frameworks of polymeric silver(<small>I</small>) complexes with 2-aminopyrimidyl ligands by changing the counterions","CrystEngComm","2006","","","84","93","10.1039/b511584a","","","0.71073","MoKα","","0.0432","0.0375","","","0.082","0.0852","","","","","","1.035","","","","has coordinates,has disorder","180362","2020-10-21","18:00:00",""
"7203117","10.727","0.002","17.216","0.002","13.462","0.003","90","","91.64","0.02","90","","2485.1","0.8","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H26 Ag4 N6 O12 S2 -","- C12 H18 Ag4 N6 O12 S2 -","- C48 H72 Ag16 N24 O48 S8 -","4","1","","Yueh-Hua Wang; Kuan-Lun Chu; Huan-Ching Chen; Chun-Wei Yeh; Zhi-Kai Chan; Maw-Cherng Suen; Jhy-Der Chen; Ju-Chun Wang","Adjusting the frameworks of polymeric silver(<small>I</small>) complexes with 2-aminopyrimidyl ligands by changing the counterions","CrystEngComm","2006","","","84","93","10.1039/b511584a","","","0.71073","MoKα","","0.074","0.0549","","","0.1203","0.1291","","","","","","1.066","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203127","7.2325","0.0014","5.0006","0.0005","17.966","0.003","90","","96.189","0.003","90","","645.99","0.18","150","1","150","1","","","","","","","","4","P 1 21 1","P 2yb","4","(S,S)-(-)-tetramethylene bis(3,3,3-trifluorolactate)","","","- C10 H12 F6 O6 -","- C10 H12 F6 O6 -","- C20 H24 F12 O12 -","2","1","","Takahashi, Satoshi; Katagiri, Toshimasa; Uneyama, Kenji","Nanoporous organic layered crystals of double-headed bis(trifluorolactate)s. Hydrogen-bonded systematic crystal structures controlled by the symmetries of molecular components","CrystEngComm","2006","8","2","132","","10.1039/b512051a","","","0.71069","MoKα","","0.0447","0.0421","","","0.1123","0.1142","","","","","","1.057","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203128","18.816","0.003","5.1374","0.0006","7.7556","0.001","90","","96.202","0.002","90","","745.31","0.18","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","(S,S)-(-)-pentamethylene bis(3,3,3-trifluorolactate)","","","- C11 H14 F6 O6 -","- C11 H14 F6 O6 -","- C22 H28 F12 O12 -","2","0.5","","Takahashi, Satoshi; Katagiri, Toshimasa; Uneyama, Kenji","Nanoporous organic layered crystals of double-headed bis(trifluorolactate)s. Hydrogen-bonded systematic crystal structures controlled by the symmetries of molecular components","CrystEngComm","2006","8","2","132","","10.1039/b512051a","","","0.71069","MoKα","","0.0879","0.0615","","","0.1641","0.1833","","","","","","1.087","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203129","19.7519","0.0012","5.0738","0.0002","7.8915","0.0005","90","","90","","90","","790.86","0.08","120","1","120","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","(S,S)-(-)-hexamethylene bis(3,3,3-trifluorolactate)","","","- C12 H16 F6 O6 -","- C12 H16 F6 O6 -","- C24 H32 F12 O12 -","2","0.5","","Takahashi, Satoshi; Katagiri, Toshimasa; Uneyama, Kenji","Nanoporous organic layered crystals of double-headed bis(trifluorolactate)s. Hydrogen-bonded systematic crystal structures controlled by the symmetries of molecular components","CrystEngComm","2006","8","2","132","","10.1039/b512051a","","","0.71069","MoKα","","0.0353","0.0343","","","0.0923","0.0931","","","","","","1.075","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203130","20.812","0.0011","5.1279","0.0001","7.9655","0.0004","90","","96.279","0.001","90","","844.99","0.06","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","(S,S)-(-)-heptamethylene bis(3,3,3-trifluorolactate)","","","- C13 H18 F6 O6 -","- C13.008 H18.016 F6 O6 -","- C26.016 H36.032 F12 O12 -","2","0.5","","Takahashi, Satoshi; Katagiri, Toshimasa; Uneyama, Kenji","Nanoporous organic layered crystals of double-headed bis(trifluorolactate)s. Hydrogen-bonded systematic crystal structures controlled by the symmetries of molecular components","CrystEngComm","2006","8","2","132","","10.1039/b512051a","","","0.71069","MoKα","","0.0288","0.0278","","","0.0691","0.0697","","","","","","1.066","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7203131","22.9706","0.0005","5.146","0.0001","8.0376","0.0002","90","","90","","90","","950.1","0.04","150","1","150","1","","","","","","","","4","P 21 21 2","P 2 2ab","18","(S,S)-(-)-octamethylene bis(3,3,3-trifluorolactate)","","","- C14 H20 F6 O6 -","- C14 H20 F6 O6 -","- C28 H40 F12 O12 -","2","0.5","","Takahashi, Satoshi; Katagiri, Toshimasa; Uneyama, Kenji","Nanoporous organic layered crystals of double-headed bis(trifluorolactate)s. Hydrogen-bonded systematic crystal structures controlled by the symmetries of molecular components","CrystEngComm","2006","8","2","132","","10.1039/b512051a","","","0.71069","MoKα","","0.0511","0.0441","","","0.0969","0.0991","","","","","","1.217","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203132","27.753","0.011","4.9906","0.001","7.992","0.003","90","","95.942","0.005","90","","1101","0.6","150","1","150","1","","","","","","","","4","C 1 2 1","C 2y","5","(S,S)-(-)-nonamethylene bis(3,3,3-trifluorolactate) octane solvate","","","- C17.24 H27.04 F6 O6 -","- C15 H22 F6 O6 -","- C30 H44 F12 O12 -","2","0.5","","Takahashi, Satoshi; Katagiri, Toshimasa; Uneyama, Kenji","Nanoporous organic layered crystals of double-headed bis(trifluorolactate)s. Hydrogen-bonded systematic crystal structures controlled by the symmetries of molecular components","CrystEngComm","2006","8","2","132","","10.1039/b512051a","","","0.71069","MoKα","","0.0525","0.0496","","","0.1437","0.1481","","","","","","1.096","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203133","28.6832","0.0008","5.0572","0.0001","7.9245","0.0003","90","","90","","90","","1149.5","0.06","100","1","100","1","","","","","","","","4","P 21 21 2","P 2 2ab","18","(S,S)-(-)-decamethylene bis(3,3,3-trifluorolactate) hexane ether mixed solvate","","","- C18.12 H29 F6 O6.08 -","- C16 H24 F6 O6 -","- C32 H48 F12 O12 -","2","0.5","","Takahashi, Satoshi; Katagiri, Toshimasa; Uneyama, Kenji","Nanoporous organic layered crystals of double-headed bis(trifluorolactate)s. Hydrogen-bonded systematic crystal structures controlled by the symmetries of molecular components","CrystEngComm","2006","8","2","132","","10.1039/b512051a","","","0.71069","MoKα","","0.0379","0.0361","","","0.0941","0.0949","","","","","","1.121","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203139","9.7269","0.0008","8.6585","0.0007","24.853","0.002","90","","100.872","0.002","90","","2055.6","0.3","223","2","223","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C36 H54 N2 O4 P2 S4 Zn -","- C36 H54 N2 O4 P2 S4 Zn -","- C72 H108 N4 O8 P4 S8 Zn2 -","2","1","","Chen, Danlin; Lai, Chian Sing; Tiekink, Edward R. T.","Supramolecular aggregation in diimine adducts of zinc(ii) dithiophosphates: controlling the formation of monomeric, dimeric, polymeric (zig-zag and helical), and 2-D motifs","CrystEngComm","2006","8","1","51","","10.1039/b513393a","","","0.71069","MoKα","","0.1","0.078","","","0.209","0.223","","","","","","1.08","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203140","7.8735","0.0008","17.7046","0.0015","20.0325","0.0019","90","","90.638","0.002","90","","2792.3","0.5","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H66 N2 O8 P4 S8 Zn2 -","- C36 H66 N2 O8 P4 S8 Zn2 -","- C72 H132 N4 O16 P8 S16 Zn4 -","2","0.5","","Chen, Danlin; Lai, Chian Sing; Tiekink, Edward R. T.","Supramolecular aggregation in diimine adducts of zinc(ii) dithiophosphates: controlling the formation of monomeric, dimeric, polymeric (zig-zag and helical), and 2-D motifs","CrystEngComm","2006","8","1","51","","10.1039/b513393a","","","0.71069","MoKα","","0.079","0.047","","","0.1","0.113","","","","","","1.01","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203141","8.3237","0.0014","11.2642","0.0019","14.95","0.004","77.797","0.003","73.836","0.003","68.317","0.003","1241.8","0.4","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H30 N O4 P2 S4 Zn -","- C14 H30 N O4 P2 S4 Zn -","- C28 H60 N2 O8 P4 S8 Zn2 -","2","1","","Chen, Danlin; Lai, Chian Sing; Tiekink, Edward R. T.","Supramolecular aggregation in diimine adducts of zinc(ii) dithiophosphates: controlling the formation of monomeric, dimeric, polymeric (zig-zag and helical), and 2-D motifs","CrystEngComm","2006","8","1","51","","10.1039/b513393a","","","0.71069","MoKα","","0.101","0.065","","","0.165","0.191","","","","","","1.02","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203142","21.988","0.005","35.283","0.007","17.564","0.003","90","","90","","90","","13626","5","223","2","223","2","","","","","","","","7","C c c a :2","-C 2a 2ac","68","","","","- C22 H36 N2 O4 P2 S6 Zn -","- C22 H36 N2 O4 P2 S6 Zn -","- C352 H576 N32 O64 P32 S96 Zn16 -","16","1","","Chen, Danlin; Lai, Chian Sing; Tiekink, Edward R. T.","Supramolecular aggregation in diimine adducts of zinc(ii) dithiophosphates: controlling the formation of monomeric, dimeric, polymeric (zig-zag and helical), and 2-D motifs","CrystEngComm","2006","8","1","51","","10.1039/b513393a","","","0.71069","MoKα","","0.212","0.108","","","0.324","0.39","","","","","","1.14","","","","has coordinates,has disorder","180362","2020-10-21","18:00:00",""
"7203143","18.5675","0.0006","23.9914","0.0007","16.1405","0.0005","90","","103.262","0.001","90","","6998.2","0.4","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H42 N2 O4 P2 S4 Zn -","- C25 H42 N2 O4 P2 S4 Zn -","- C200 H336 N16 O32 P16 S32 Zn8 -","8","2","","Chen, Danlin; Lai, Chian Sing; Tiekink, Edward R. T.","Supramolecular aggregation in diimine adducts of zinc(ii) dithiophosphates: controlling the formation of monomeric, dimeric, polymeric (zig-zag and helical), and 2-D motifs","CrystEngComm","2006","8","1","51","","10.1039/b513393a","","","0.71069","MoKα","","0.124","0.074","","","0.192","0.223","","","","","","1.06","","","","has coordinates,has disorder","180362","2020-10-21","18:00:00",""
"7203144","12.1969","0.0007","8.3847","0.0005","15.5757","0.001","90","","95.676","0.002","90","","1585.08","0.17","223","2","223","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C22 H37 N3 O4 P2 S4 Zn -","- C22 H37 N3 O4 P2 S4 Zn -","- C44 H74 N6 O8 P4 S8 Zn2 -","2","1","","Chen, Danlin; Lai, Chian Sing; Tiekink, Edward R. T.","Supramolecular aggregation in diimine adducts of zinc(ii) dithiophosphates: controlling the formation of monomeric, dimeric, polymeric (zig-zag and helical), and 2-D motifs","CrystEngComm","2006","8","1","51","","10.1039/b513393a","","","0.71069","MoKα","","0.065","0.051","","","0.118","0.128","","","","","","1.01","","","","has coordinates,has disorder","180362","2020-10-21","18:00:00",""
"7203149","25.078","0.002","25.078","0.002","25.078","0.002","90","","90","","90","","15772","2","123","2","123","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- C23 H26 N2 O -","- C23.005 H26.01 N2.0025 O -","- C736.16 H832.32 N64.08 O32 -","32","1.33333","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro; Pelagatti, Paolo; Pelizzi, Giancarlo; Rogolino, Dominga","Triarylcarbinol derivatives barter intermolecular interactions to accommodate substituents and create polymorphs","CrystEngComm","2006","8","3","233","","10.1039/b513876k","","","1.54138","CuKα","","0.2378","0.0764","","","0.2029","0.2691","","","","","","0.941","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203150","10.5311","0.0008","17.575","0.001","18.449","0.001","90","","90.444","0.002","90","","3414.5","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 N O -","- C21 H21 N O -","- C168 H168 N8 O8 -","8","2","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro; Pelagatti, Paolo; Pelizzi, Giancarlo; Rogolino, Dominga","Triarylcarbinol derivatives barter intermolecular interactions to accommodate substituents and create polymorphs","CrystEngComm","2006","8","3","233","","10.1039/b513876k","","","0.71069","MoKα","","0.0606","0.0365","","","0.09","0.1028","","","","","","1.019","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203151","25.39","0.002","25.39","0.002","25.39","0.002","90","","90","","90","","16368","2","293","2","293","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- C23 H26 N2 O -","- C23.005 H26.01 N2.0025 O -","- C736.16 H832.32 N64.08 O32 -","32","1.33333","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro; Pelagatti, Paolo; Pelizzi, Giancarlo; Rogolino, Dominga","Triarylcarbinol derivatives barter intermolecular interactions to accommodate substituents and create polymorphs","CrystEngComm","2006","8","3","233","","10.1039/b513876k","","","1.54138","CuKα","","0.0944","0.0628","","","0.1851","0.219","","","","","","1.03","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203152","12.087","0.004","16.628","0.005","10.264","0.008","96.19","0.06","95.7","0.06","107.22","0.03","1940.1","1.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H26 N2 O -","- C23 H26 N2 O -","- C92 H104 N8 O4 -","4","2","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro; Pelagatti, Paolo; Pelizzi, Giancarlo; Rogolino, Dominga","Triarylcarbinol derivatives barter intermolecular interactions to accommodate substituents and create polymorphs","CrystEngComm","2006","8","3","233","","10.1039/b513876k","","","1.54138","CuKα","","0.168","0.0451","","","0.0816","0.1165","","","","","","0.715","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203153","11.006","0.005","10.491","0.005","19.293","0.005","86.37","0.02","88.4","0.02","88.5","0.02","2221.6","1.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H31 N3 O -","- C25 H31 N3 O -","- C100 H124 N12 O4 -","4","2","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro; Pelagatti, Paolo; Pelizzi, Giancarlo; Rogolino, Dominga","Triarylcarbinol derivatives barter intermolecular interactions to accommodate substituents and create polymorphs","CrystEngComm","2006","8","3","233","","10.1039/b513876k","","","1.54178","CuKα","","0.0549","0.0464","","","0.1391","0.1486","","","","","","1.06","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203154","10.86","0.01","10.47","0.01","19.95","0.02","90","","99.24","0.09","90","","2239","4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H31 N3 O -","- C25 H31 N3 O -","- C100 H124 N12 O4 -","4","1","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro; Pelagatti, Paolo; Pelizzi, Giancarlo; Rogolino, Dominga","Triarylcarbinol derivatives barter intermolecular interactions to accommodate substituents and create polymorphs","CrystEngComm","2006","8","3","233","","10.1039/b513876k","","","1.54178","CuKα","","0.1326","0.0964","","","0.2197","0.2601","","","","","","0.965","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203155","10.67","0.07","7.76","0.01","24.24","0.03","90","","95.6","0.2","90","","1997","14","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H25 N3 O -","- C22 H25 N3 O -","- C88 H100 N12 O4 -","4","1","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro; Pelagatti, Paolo; Pelizzi, Giancarlo; Rogolino, Dominga","Triarylcarbinol derivatives barter intermolecular interactions to accommodate substituents and create polymorphs","CrystEngComm","2006","8","3","233","","10.1039/b513876k","","","1.54178","CuKα","","0.3189","0.0498","","","0.0603","0.1077","","","","","","0.656","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203156","16.979","0.002","7.706","0.008","31.237","0.003","90","","102.076","0.002","90","","3997","4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H25 N3 O -","- C22 H25 N3 O -","- C176 H200 N24 O8 -","8","1","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro; Pelagatti, Paolo; Pelizzi, Giancarlo; Rogolino, Dominga","Triarylcarbinol derivatives barter intermolecular interactions to accommodate substituents and create polymorphs","CrystEngComm","2006","8","3","233","","10.1039/b513876k","","","0.71073","MoKα","","0.0624","0.0517","","","0.1514","0.1579","","","","","","1.103","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203157","7.759","0.009","18.66","0.02","6.57","0.005","96.2","0.1","97.72","0.09","96.1","0.1","930","1.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H25 N3 O -","- C22 H25 N3 O -","- C44 H50 N6 O2 -","2","1","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro; Pelagatti, Paolo; Pelizzi, Giancarlo; Rogolino, Dominga","Triarylcarbinol derivatives barter intermolecular interactions to accommodate substituents and create polymorphs","CrystEngComm","2006","8","3","233","","10.1039/b513876k","","","1.54178","CuKα","","0.2543","0.107","","","0.2762","0.3649","","","","","","0.799","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203163","7.5255","0.001","12.0556","0.0015","18.597","0.002","90","","96.238","0.01","90","","1677.2","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","brucinium N-tert-Butoxycarbonyl-L-prolinate ethanol solvate hydrate","brucinium N-tert-Butoxycarbonyl-L-prolinate ethanol solvate hydrate","","- C35 H51 N3 O10 -","- C35 H51 N3 O10 -","- C70 H102 N6 O20 -","2","1","","Białońska, Agata; Ciunik, Zbigniew","When in the presence of the strong hydrogen bonds, the weak hydrogen bonds gain an importance","CrystEngComm","2006","8","1","66","","10.1039/b515365d","","","0.71073","MoKα","","0.047","0.0391","","","0.0859","0.0899","","","","","","1.022","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203164","8.2334","0.0014","12.283","0.002","33.625","0.005","90","","90","","90","","3400.5","0.9","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium hydrogen N-benzoyl-D-aspartate tetrahydrate","","- C34 H45 N3 O13 -","- C34 H45 N3 O13 -","- C136 H180 N12 O52 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","When in the presence of the strong hydrogen bonds, the weak hydrogen bonds gain an importance","CrystEngComm","2006","8","1","66","","10.1039/b515365d","","","0.71073","MoKα","","0.1192","0.0776","","","0.1642","0.1882","","","","","","1.052","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203165","7.8711","0.0008","12.4649","0.0012","33.044","0.003","90","","90","","90","","3242","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-benzoyl-D-asparaginate trihydrate","","- C34 H44 N4 O11 -","- C34 H44 N4 O11 -","- C136 H176 N16 O44 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","When in the presence of the strong hydrogen bonds, the weak hydrogen bonds gain an importance","CrystEngComm","2006","8","1","66","","10.1039/b515365d","","","0.71073","MoKα","","0.1489","0.0583","","","0.0722","0.0867","","","","","","1.005","","","","has coordinates,has disorder","180362","2020-10-21","18:00:00",""
"7203166","13.611","0.002","12.374","0.002","20.458","0.003","90","","93.146","0.018","90","","3440.4","0.9","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","brucinium N-tert-Butoxycarbonyl-L-alaninate 2-propanol solvate hydrate","","- C34 H51 N3 O10 -","- C34 H51 N3 O10 -","- C136 H204 N12 O40 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","When in the presence of the strong hydrogen bonds, the weak hydrogen bonds gain an importance","CrystEngComm","2006","8","1","66","","10.1039/b515365d","","","0.71073","MoKα","","0.0555","0.0406","","","0.0687","0.0735","","","","","","1","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203167","5.028","0.002","9.68","0.004","5.246","0.002","90","","118.522","0.007","90","","224.34","0.16","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C2 H5 Cl N2 -","- C2 H5 Cl N2 -","- C4 H10 Cl2 N4 -","2","1","","Wishkerman, Sara; Bernstein, Joel","Characterization of the polymorphs of aminoacetonitrile hydrochloride and crystal structure of the stable polymorph","CrystEngComm","2006","8","3","245","","10.1039/b515447b","","","0.71073","MoKα","","0.0377","0.037","","","0.0874","0.0883","","","","","","1.284","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203168","13.1537","0.0015","28.617","0.003","10.365","0.0011","90","","90","","90","","3901.6","0.7","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C18 H22 Co N2 O8 -","- C18 H22 Co N2 O8 -","- C144 H176 Co8 N16 O64 -","8","0.5","","Covelo, Berta; Carballo, Rosa; Vázquez-López, Ezequiel M.; García-Martínez, Emilia; Castiñeiras, Alfonso; Balboa, Susana; Niclós, Juan","Supramolecular architectures of neutral and cationic complexes of transition metals with lactate and 1,10-phenanthroline","CrystEngComm","2006","8","2","167","","10.1039/b515539h","","","0.71073","MoKα","","0.1026","0.0432","","","0.0642","0.0747","","","","","","0.856","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203169","12.6879","0.0012","27.985","0.003","10.8363","0.0011","90","","90","","90","","3847.7","0.7","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C18 H22 Cu N2 O8 -","- C18 H22 Cu N2 O8 -","- C144 H176 Cu8 N16 O64 -","8","0.5","","Covelo, Berta; Carballo, Rosa; Vázquez-López, Ezequiel M.; García-Martínez, Emilia; Castiñeiras, Alfonso; Balboa, Susana; Niclós, Juan","Supramolecular architectures of neutral and cationic complexes of transition metals with lactate and 1,10-phenanthroline","CrystEngComm","2006","8","2","167","","10.1039/b515539h","","","0.71073","MoKα","","0.0666","0.0404","","","0.0628","0.0681","","","","","","0.883","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203170","12.88","0.003","28.401","0.006","10.376","0.002","90","","90","","90","","3795.6","1.4","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C18 H22 N2 O8 Zn -","- C18 H22 N2 O8 Zn -","- C144 H176 N16 O64 Zn8 -","8","0.5","","Covelo, Berta; Carballo, Rosa; Vázquez-López, Ezequiel M.; García-Martínez, Emilia; Castiñeiras, Alfonso; Balboa, Susana; Niclós, Juan","Supramolecular architectures of neutral and cationic complexes of transition metals with lactate and 1,10-phenanthroline","CrystEngComm","2006","8","2","167","","10.1039/b515539h","","","0.71073","MoKα","","0.0961","0.0414","","","0.0451","0.0531","","","","","","0.816","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203171","11.325","0.002","16.241","0.003","9.881","0.002","90","","90","","90","","1817.4","0.6","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C18 H18 N2 O6 Zn -","- C18 H18 N2 O6 Zn -","- C72 H72 N8 O24 Zn4 -","4","1","","Covelo, Berta; Carballo, Rosa; Vázquez-López, Ezequiel M.; García-Martínez, Emilia; Castiñeiras, Alfonso; Balboa, Susana; Niclós, Juan","Supramolecular architectures of neutral and cationic complexes of transition metals with lactate and 1,10-phenanthroline","CrystEngComm","2006","8","2","167","","10.1039/b515539h","","","0.71073","MoKα","","0.0861","0.0375","","","0.0491","0.0556","","","","","","0.809","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203172","7.9432","0.0007","9.6697","0.0008","22.3743","0.0019","90","","92.791","0.002","90","","1716.5","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 Cl Mn N2 O5 -","- C15 H17 Cl Mn N2 O5 -","- C60 H68 Cl4 Mn4 N8 O20 -","4","1","","Covelo, Berta; Carballo, Rosa; Vázquez-López, Ezequiel M.; García-Martínez, Emilia; Castiñeiras, Alfonso; Balboa, Susana; Niclós, Juan","Supramolecular architectures of neutral and cationic complexes of transition metals with lactate and 1,10-phenanthroline","CrystEngComm","2006","8","2","167","","10.1039/b515539h","","","0.71073","MoKα","","0.0631","0.0353","","","0.0724","0.0779","","","","","","0.916","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203173","7.8296","0.0007","9.5624","0.0008","22.1549","0.0018","90","","93.724","0.002","90","","1655.2","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 Cl Co N2 O5 -","- C15 H17 Cl Co N2 O5 -","- C60 H68 Cl4 Co4 N8 O20 -","4","1","","Covelo, Berta; Carballo, Rosa; Vázquez-López, Ezequiel M.; García-Martínez, Emilia; Castiñeiras, Alfonso; Balboa, Susana; Niclós, Juan","Supramolecular architectures of neutral and cationic complexes of transition metals with lactate and 1,10-phenanthroline","CrystEngComm","2006","8","2","167","","10.1039/b515539h","","","0.71073","MoKα","","0.124","0.0469","","","0.0643","0.0768","","","","","","0.838","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203174","7.7833","0.0007","9.5585","0.0009","22.055","0.002","90","","94.027","0.002","90","","1636.8","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 Cl N2 Ni O5 -","- C15 H17 Cl N2 Ni O5 -","- C60 H68 Cl4 N8 Ni4 O20 -","4","1","","Covelo, Berta; Carballo, Rosa; Vázquez-López, Ezequiel M.; García-Martínez, Emilia; Castiñeiras, Alfonso; Balboa, Susana; Niclós, Juan","Supramolecular architectures of neutral and cationic complexes of transition metals with lactate and 1,10-phenanthroline","CrystEngComm","2006","8","2","167","","10.1039/b515539h","","","0.71073","MoKα","","0.0881","0.0507","","","0.1085","0.1194","","","","","","0.95","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203175","7.734","0.0008","9.6848","0.0009","22.313","0.002","90","","94.977","0.002","90","","1665","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 Br N2 Ni O5 -","- C15 H17 Br N2 Ni O5 -","- C60 H68 Br4 N8 Ni4 O20 -","4","1","","Covelo, Berta; Carballo, Rosa; Vázquez-López, Ezequiel M.; García-Martínez, Emilia; Castiñeiras, Alfonso; Balboa, Susana; Niclós, Juan","Supramolecular architectures of neutral and cationic complexes of transition metals with lactate and 1,10-phenanthroline","CrystEngComm","2006","8","2","167","","10.1039/b515539h","","","0.71073","MoKα","","0.1884","0.0515","","","0.0565","0.0756","","","","","","0.736","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203176","8.2288","0.0004","7.9971","0.0004","21.7042","0.001","90","","90.523","0.001","90","","1428.22","0.12","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 N5 O3 -","- C17 H11 N5 O3 -","- C68 H44 N20 O12 -","4","1","","David J. Ring; Alexander J. Blake; Neil R. Champness; Claire Wilson","Threefold interpenetration of hydrogen-bonded two-dimensional sheets with 4<small><sup>4</sup></small> topology: supramolecular assembly of dimeric cyanuric acid nodes with four-fold connectivity","CrystEngComm","2006","","","29","32","10.1039/b515668h","","","0.6749","synchrotron","","0.0558","0.0444","","","0.1239","0.133","","","","","","1.041","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7203177","5.37","0.003","6.213","0.003","12.481","0.004","90","","102.31","0.03","90","","406.8","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","4-NITROPHENYL PHOSPHORIC ACID","4-NITROPHENYL PHOSPHORIC ACID","","- C6 H6 N O6 P -","- C6 H6 N O6 P -","- C12 H12 N2 O12 P2 -","2","1","","Kuczek, Marian; Bryndal, Iwona; Lis, Tadeusz","4-Nitrophenyl phosphoric acid and its four different potassium salts: a solid state structure and kinetic study","CrystEngComm","2006","8","2","150","","10.1039/b515789g","","","0.71073","MoKα","","0.0279","0.0268","","","0.0691","0.0698","","","","","","1.072","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203178","7.669","0.002","19.817","0.004","11.707","0.002","90","","102.9","0.03","90","","1734.3","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","SEMIPOTASSIUM SALT OF 4-NITROPHENYL PHOSPHORIC ACID","SEMIPOTASSIUM SALT OF 4-NITROPHENYL PHOSPHORIC ACID","","- C12 H11 K N2 O12 P2 -","- C12 H11 K N2 O12 P2 -","- C48 H44 K4 N8 O48 P8 -","4","1","","Kuczek, Marian; Bryndal, Iwona; Lis, Tadeusz","4-Nitrophenyl phosphoric acid and its four different potassium salts: a solid state structure and kinetic study","CrystEngComm","2006","8","2","150","","10.1039/b515789g","","","0.71073","MoKα","","0.0407","0.0347","","","0.0808","0.083","","","","","","1.108","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7203179","7.373","0.003","9.561","0.003","16.32","0.004","84.44","0.03","89.23","0.03","84.47","0.03","1139.7","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","POTASSIUM 4-NITROPHENYL HYDROGEN PHOSPHATE METHANOL SOLVATE","POTASSIUM 4-NITROPHENYL HYDROGEN PHOSPHATE METHANOL SOLVATE","","- C7 H9 K N O7 P -","- C7 H9 K N O7 P -","- C28 H36 K4 N4 O28 P4 -","4","2","","Kuczek, Marian; Bryndal, Iwona; Lis, Tadeusz","4-Nitrophenyl phosphoric acid and its four different potassium salts: a solid state structure and kinetic study","CrystEngComm","2006","8","2","150","","10.1039/b515789g","","","0.71073","MoKα","","0.0423","0.0339","","","0.083","0.0868","","","","","","1.08","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7203180","12.58","0.003","6.743","0.002","13.316","0.003","90","","93.89","0.03","90","","1127","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","POTASSIUM 4-NITROPHENYL HYDROGEN PHOSPHATE DIHYRATE","POTASSIUM 4-NITROPHENYL HYDROGEN PHOSPHATE DIHYRATE","","- C6 H9 K N O8 P -","- C6 H9 K N O8 P -","- C24 H36 K4 N4 O32 P4 -","4","1","","Kuczek, Marian; Bryndal, Iwona; Lis, Tadeusz","4-Nitrophenyl phosphoric acid and its four different potassium salts: a solid state structure and kinetic study","CrystEngComm","2006","8","2","150","","10.1039/b515789g","","","0.71073","MoKα","","0.0328","0.026","","","0.0664","0.0685","","","","","","1.124","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203181","12.529","0.004","7.131","0.003","31.914","0.006","90","","90","","90","","2851.3","1.6","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","DIPOTASSIUM 4-NITROPHENYL PHOSPHATE TETRAHYDRATE","DIPOTASSIUM 4-NITROPHENYL PHOSPHATE TETRAHYDRATE","","- C6 H12 K2 N O10 P -","- C6 H12 K2 N O10 P -","- C48 H96 K16 N8 O80 P8 -","8","1","","Kuczek, Marian; Bryndal, Iwona; Lis, Tadeusz","4-Nitrophenyl phosphoric acid and its four different potassium salts: a solid state structure and kinetic study","CrystEngComm","2006","8","2","150","","10.1039/b515789g","","","0.71073","MoKα","","0.0805","0.0544","","","0.1078","0.1168","","","","","","1.109","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203184","18.463","0.002","17.81","0.002","9.204","0.001","90","","101.491","0.008","90","","2965.9","0.6","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 N6 -","- C36 H36 N6 -","- C144 H144 N24 -","4","1","","José Giner Planas; Carles Masalles; Reijo Sillanpää; Raikko Kivekäs; Francesc Teixidor; Clara Viñas","Synthesis and solid state structure for a series of poly(1-pyrrolylmethyl)benzene derivatives. Control of the interplaying π‒π and C‒Hπ interactions?","CrystEngComm","2006","","","75","83","10.1039/b515930j","","","1.54184","CuKα","","0.0667","0.0535","","","0.1376","0.1481","","","","","","1.022","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203185","5.747","0.0006","15.511","0.002","11.798","0.002","90","","92.911","0.008","90","","1050.3","0.2","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 N4 -","- C26 H26 N4 -","- C52 H52 N8 -","2","0.5","","José Giner Planas; Carles Masalles; Reijo Sillanpää; Raikko Kivekäs; Francesc Teixidor; Clara Viñas","Synthesis and solid state structure for a series of poly(1-pyrrolylmethyl)benzene derivatives. Control of the interplaying π‒π and C‒Hπ interactions?","CrystEngComm","2006","","","75","83","10.1039/b515930j","","","1.54184","CuKα","","0.0699","0.0452","","","0.1096","0.1202","","","","","","1.082","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203186","5.815","0.003","8.493","0.003","27.344","0.004","90","","90.48","0.03","90","","1350.4","0.9","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 N2 -","- C16 H16 N2 -","- C64 H64 N8 -","4","1","","José Giner Planas; Carles Masalles; Reijo Sillanpää; Raikko Kivekäs; Francesc Teixidor; Clara Viñas","Synthesis and solid state structure for a series of poly(1-pyrrolylmethyl)benzene derivatives. Control of the interplaying π‒π and C‒Hπ interactions?","CrystEngComm","2006","","","75","83","10.1039/b515930j","","","0.71069","MoKα","","0.1762","0.0562","","","0.1102","0.1436","","","","","","0.985","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203187","9.2058","0.0009","5.6582","0.0012","25.114","0.002","90","","96.875","0.008","90","","1298.7","0.3","193","2","193","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 N2 -","- C16 H16 N2 -","- C64 H64 N8 -","4","1","","José Giner Planas; Carles Masalles; Reijo Sillanpää; Raikko Kivekäs; Francesc Teixidor; Clara Viñas","Synthesis and solid state structure for a series of poly(1-pyrrolylmethyl)benzene derivatives. Control of the interplaying π‒π and C‒Hπ interactions?","CrystEngComm","2006","","","75","83","10.1039/b515930j","","","1.54184","CuKα","","0.1021","0.0562","","","0.1351","0.1555","","","","","","1.05","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203188","14.7475","0.0013","5.6746","0.0004","16.6394","0.0014","90","","113.98","0.007","90","","1272.3","0.19","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 N2 -","- C16 H16 N2 -","- C64 H64 N8 -","4","1","","José Giner Planas; Carles Masalles; Reijo Sillanpää; Raikko Kivekäs; Francesc Teixidor; Clara Viñas","Synthesis and solid state structure for a series of poly(1-pyrrolylmethyl)benzene derivatives. Control of the interplaying π‒π and C‒Hπ interactions?","CrystEngComm","2006","","","75","83","10.1039/b515930j","","","1.54184","CuKα","","0.0728","0.0431","","","0.104","0.1169","","","","","","1.026","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203189","9.7931","0.0003","17.0401","0.0005","19.8613","0.0007","90","","102.479","0.001","90","","3236.06","0.18","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H34 Au2 Cl2 N O0.5 P2 -","- C34 H34 Au2 Cl2 N O0.5 P2 -","- C136 H136 Au8 Cl8 N4 O2 P8 -","4","1","","Smith, Martin B.; Dale, Sophie H.; Coles, Simon J.; Gelbrich, Thomas; Hursthouse, Michael B.; Light, Mark E.","Isomeric dinuclear gold(i) complexes with highly functionalised ditertiary phosphines: Self-assembly of dimers, rings and 1-D polymeric chains","CrystEngComm","2006","8","2","140","","10.1039/b516023e","","","0.71073","MoKα","","0.0789","0.0445","","","0.0889","0.1006","","","","","","0.949","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7203190","10.5172","0.0002","12.311","0.0003","13.3218","0.0004","72.659","0.001","84.32","0.002","75.96","0.001","1596.62","0.07","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H29 Au2 Cl2 N O3 P2 -","- C33 H29 Au2 Cl2 N O3 P2 -","- C66 H58 Au4 Cl4 N2 O6 P4 -","2","1","","Smith, Martin B.; Dale, Sophie H.; Coles, Simon J.; Gelbrich, Thomas; Hursthouse, Michael B.; Light, Mark E.","Isomeric dinuclear gold(i) complexes with highly functionalised ditertiary phosphines: Self-assembly of dimers, rings and 1-D polymeric chains","CrystEngComm","2006","8","2","140","","10.1039/b516023e","","","0.71073","MoKα","","0.0524","0.0447","","","0.1145","0.1194","","","","","","1.001","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203191","9.8874","0.0002","11.2785","0.0002","13.3023","0.0003","70.929","0.001","81.604","0.001","87.168","0.001","1386.96","0.05","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H29 N O3 P2 -","- C33 H29 N O3 P2 -","- C66 H58 N2 O6 P4 -","2","1","","Smith, Martin B.; Dale, Sophie H.; Coles, Simon J.; Gelbrich, Thomas; Hursthouse, Michael B.; Light, Mark E.","Isomeric dinuclear gold(i) complexes with highly functionalised ditertiary phosphines: Self-assembly of dimers, rings and 1-D polymeric chains","CrystEngComm","2006","8","2","140","","10.1039/b516023e","","","0.71073","MoKα","","0.067","0.0498","","","0.1293","0.1404","","","","","","1.017","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203192","11.2658","0.001","11.6465","0.0002","14.495","0.0002","85.708","0.001","74.044","0.001","86.088","0.001","1821.19","0.17","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H39 Au2 Cl2 N O3 P2 -","- C37 H39 Au2 Cl2 N O3 P2 -","- C74 H78 Au4 Cl4 N2 O6 P4 -","2","1","","Smith, Martin B.; Dale, Sophie H.; Coles, Simon J.; Gelbrich, Thomas; Hursthouse, Michael B.; Light, Mark E.","Isomeric dinuclear gold(i) complexes with highly functionalised ditertiary phosphines: Self-assembly of dimers, rings and 1-D polymeric chains","CrystEngComm","2006","8","2","140","","10.1039/b516023e","","","0.71073","MoKα","","0.0354","0.0315","","","0.0796","0.0819","","","","","","1.027","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203193","11.288","0.002","11.664","0.002","14.665","0.003","83.41","0.03","73.92","0.03","85.81","0.03","1841.3","0.7","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H39 Au2 Cl2 N O4 P2 -","- C37 H40 Au2 Cl2 N O4 P2 -","- C74 H80 Au4 Cl4 N2 O8 P4 -","2","1","","Smith, Martin B.; Dale, Sophie H.; Coles, Simon J.; Gelbrich, Thomas; Hursthouse, Michael B.; Light, Mark E.","Isomeric dinuclear gold(i) complexes with highly functionalised ditertiary phosphines: Self-assembly of dimers, rings and 1-D polymeric chains","CrystEngComm","2006","8","2","140","","10.1039/b516023e","","","0.71073","MoKα","","0.0346","0.029","","","0.0683","0.0707","","","","","","1.054","","","","has coordinates,has disorder","180362","2020-10-21","18:00:00",""
"7203194","10.0711","0.0002","17.7756","0.0004","19.7048","0.0005","90","","101.616","0.001","90","","3455.3","0.14","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33.32 H30.28 Au2 Cl2 N O3.32 P2 -","- C33 H29 Au2 Cl2 N O3 P2 -","- C132 H116 Au8 Cl8 N4 O12 P8 -","4","1","","Smith, Martin B.; Dale, Sophie H.; Coles, Simon J.; Gelbrich, Thomas; Hursthouse, Michael B.; Light, Mark E.","Isomeric dinuclear gold(i) complexes with highly functionalised ditertiary phosphines: Self-assembly of dimers, rings and 1-D polymeric chains","CrystEngComm","2006","8","2","140","","10.1039/b516023e","","","0.71073","MoKα","","0.0723","0.0414","","","0.0688","0.0761","","","","","","1.009","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203195","14.4668","0.0005","10.6327","0.0004","20.9068","0.0012","90","","95.054","0.0016","90","","3203.4","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H29 Au2 Cl2 N O3 P2 -","- C33 H29 Au2 Cl2 N O3 P2 -","- C132 H116 Au8 Cl8 N4 O12 P8 -","4","1","","Smith, Martin B.; Dale, Sophie H.; Coles, Simon J.; Gelbrich, Thomas; Hursthouse, Michael B.; Light, Mark E.","Isomeric dinuclear gold(i) complexes with highly functionalised ditertiary phosphines: Self-assembly of dimers, rings and 1-D polymeric chains","CrystEngComm","2006","8","2","140","","10.1039/b516023e","","","0.71073","MoKα","","0.1616","0.0594","","","0.0874","0.0987","","","","","","1.069","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203196","10.9153","0.0004","12.1624","0.0004","15.8034","0.0006","74.933","0.002","82.592","0.002","73.966","0.002","1943.37","0.12","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C33.6 H31.4 Au2 Cl2 N O3.6 P2 -","- C33 H29 Au2 Cl2 N O3 P2 -","- C66 H58 Au4 Cl4 N2 O6 P4 -","2","1","","Smith, Martin B.; Dale, Sophie H.; Coles, Simon J.; Gelbrich, Thomas; Hursthouse, Michael B.; Light, Mark E.","Isomeric dinuclear gold(i) complexes with highly functionalised ditertiary phosphines: Self-assembly of dimers, rings and 1-D polymeric chains","CrystEngComm","2006","8","2","140","","10.1039/b516023e","","","0.71073","MoKα","","0.0864","0.0665","","","0.1791","0.1889","","","","","","1.072","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203197","6.3316","0.0013","12.517","0.003","33.042","0.007","90","","90","","90","","2618.7","1","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C34 H34 N2 O2 -","- C34 H34 N2 O2 -","- C136 H136 N8 O8 -","4","0.5","","Zeng, Qingdao; Wu, Dongxia; Ma, Hongwei; Shu, Chuying; Li, Yan; Wang, Chen","Polymeric hydrogen-bonded supramolecules by self-assembling of adamantane derivatives with bipyridines","CrystEngComm","2006","8","2","189","","10.1039/b516212b","","","0.71073","MoKα","","0.0796","0.0417","","","0.0795","0.0852","","","","","","0.901","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203198","12.632","0.003","32.034","0.006","6.2215","0.0012","90","","90","","90","","2517.6","0.9","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C32 H32 N2 O2 S -","- C32 H32 N2 O2 S -","- C128 H128 N8 O8 S4 -","4","0.5","","Zeng, Qingdao; Wu, Dongxia; Ma, Hongwei; Shu, Chuying; Li, Yan; Wang, Chen","Polymeric hydrogen-bonded supramolecules by self-assembling of adamantane derivatives with bipyridines","CrystEngComm","2006","8","2","189","","10.1039/b516212b","","","0.71073","MoKα","","0.1351","0.0433","","","0.0634","0.0769","","","","","","0.826","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203199","18.823","0.004","10.157","0.002","13.869","0.003","90","","100.44","0.03","90","","2607.7","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H32 N2 O4 -","- C32 H32 N2 O4 -","- C128 H128 N8 O16 -","4","1","","Zeng, Qingdao; Wu, Dongxia; Ma, Hongwei; Shu, Chuying; Li, Yan; Wang, Chen","Polymeric hydrogen-bonded supramolecules by self-assembling of adamantane derivatives with bipyridines","CrystEngComm","2006","8","2","189","","10.1039/b516212b","","","0.71073","MoKα","","0.098","0.0408","","","0.071","0.0772","","","","","","0.931","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203200","12.525","0.003","12.772","0.003","26.458","0.005","90","","90","","90","","4232.5","1.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H26 N2 O4 -","- C24 H26 N2 O4 -","- C192 H208 N16 O32 -","8","1","","Zeng, Qingdao; Wu, Dongxia; Ma, Hongwei; Shu, Chuying; Li, Yan; Wang, Chen","Polymeric hydrogen-bonded supramolecules by self-assembling of adamantane derivatives with bipyridines","CrystEngComm","2006","8","2","189","","10.1039/b516212b","","","0.71073","MoKα","","0.186","0.0664","","","0.163","0.1846","","","","","","1.032","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203201","9.3034","0.0019","10.198","0.002","10.295","0.002","60.47","0.03","76.13","0.03","72.88","0.03","806.9","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H44 N2 O8 -","- C36 H44 N2 O8 -","- C36 H44 N2 O8 -","1","0.5","","Zeng, Qingdao; Wu, Dongxia; Ma, Hongwei; Shu, Chuying; Li, Yan; Wang, Chen","Polymeric hydrogen-bonded supramolecules by self-assembling of adamantane derivatives with bipyridines","CrystEngComm","2006","8","2","189","","10.1039/b516212b","","","0.71073","MoKα","","0.1198","0.0795","","","0.1884","0.2142","","","","","","1.026","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203202","11.764","0.002","15.841","0.003","12.322","0.003","90","","113.9","0.03","90","","2099.4","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 N2 O4 S2 -","- C22 H24 N2 O4 S2 -","- C88 H96 N8 O16 S8 -","4","1","","Zeng, Qingdao; Wu, Dongxia; Ma, Hongwei; Shu, Chuying; Li, Yan; Wang, Chen","Polymeric hydrogen-bonded supramolecules by self-assembling of adamantane derivatives with bipyridines","CrystEngComm","2006","8","2","189","","10.1039/b516212b","","","0.71073","MoKα","","0.0541","0.0406","","","0.1059","0.1115","","","","","","1.022","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203203","8.5551","0.0017","11.84","0.002","12.496","0.003","106.27","0.03","104.97","0.03","98.65","0.03","1139.5","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H30 N2 O4 -","- C26 H30 N2 O4 -","- C52 H60 N4 O8 -","2","1","","Zeng, Qingdao; Wu, Dongxia; Ma, Hongwei; Shu, Chuying; Li, Yan; Wang, Chen","Polymeric hydrogen-bonded supramolecules by self-assembling of adamantane derivatives with bipyridines","CrystEngComm","2006","8","2","189","","10.1039/b516212b","","","0.71073","MoKα","","0.1132","0.0873","","","0.2538","0.2816","","","","","","1.009","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203204","8.6721","0.0017","11.845","0.002","12.364","0.003","106.23","0.03","104.28","0.03","98.19","0.03","1150.8","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H32 N2 O4 -","- C26 H32 N2 O4 -","- C52 H64 N4 O8 -","2","1","","Zeng, Qingdao; Wu, Dongxia; Ma, Hongwei; Shu, Chuying; Li, Yan; Wang, Chen","Polymeric hydrogen-bonded supramolecules by self-assembling of adamantane derivatives with bipyridines","CrystEngComm","2006","8","2","189","","10.1039/b516212b","","","0.71073","MoKα","","0.1067","0.0761","","","0.1981","0.222","","","","","","1.021","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203205","17.518","0.004","13.767","0.003","9.0857","0.0018","90","","91.32","0.03","90","","2190.6","0.8","120","2","120","2","","","","","","","Roberto Quesada","6","C 1 2/c 1","-C 2yc","15","","","","- C9 H21 N8 O7.5 Pt S4 -","- C9 H21 N8 O7.5 Pt S4 -","- C36 H84 N32 O30 Pt4 S16 -","4","0.5","","Gale, Philip A.; Light, Mark E.; Quesada, Roberto","Tetrakis(thiourea)platinum(ii) oxocarbodianions salts as molecular building blocks for the synthesis of hydrogen bonded networks in the solid state","CrystEngComm","2006","8","2","178","","10.1039/b516238f","","","0.71073","MoKα","","0.0508","0.0314","","","0.0604","0.0672","","","","","","1.043","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203206","17.315","0.004","9.4289","0.0019","23.344","0.005","90","","107.7","0.03","90","","3630.8","1.5","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H40 N8 O9 Pt S8 -","- C17 H40 N8 O9 Pt S8 -","- C68 H160 N32 O36 Pt4 S32 -","4","0.5","","Gale, Philip A.; Light, Mark E.; Quesada, Roberto","Tetrakis(thiourea)platinum(ii) oxocarbodianions salts as molecular building blocks for the synthesis of hydrogen bonded networks in the solid state","CrystEngComm","2006","8","2","178","","10.1039/b516238f","","","0.71073","MoKα","","0.0326","0.0254","","","0.0598","0.0633","","","","","","1.029","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203207","16.3461","0.0014","10.1444","0.0006","11.143","0.0011","90","","90","","90","","1847.7","0.3","120","2","120","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C16 H40 N8 O8 Pt S8 -","- C16 H40 N8 O8 Pt S8 -","- C32 H80 N16 O16 Pt2 S16 -","2","0.5","","Gale, Philip A.; Light, Mark E.; Quesada, Roberto","Tetrakis(thiourea)platinum(ii) oxocarbodianions salts as molecular building blocks for the synthesis of hydrogen bonded networks in the solid state","CrystEngComm","2006","8","2","178","","10.1039/b516238f","","","0.71073","MoKα","","0.072","0.0538","","","0.1317","0.1429","","","","","","0.931","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203208","21.1828","0.0016","14.1183","0.0013","14.4599","0.0014","90","","99.579","0.006","90","","4264.2","0.7","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H96 Cl2 N24 O16 Pt3 S18 -","- C38 H96 Cl2 N24 O16 Pt3 S18 -","- C76 H192 Cl4 N48 O32 Pt6 S36 -","2","0.5","","Gale, Philip A.; Light, Mark E.; Quesada, Roberto","Tetrakis(thiourea)platinum(ii) oxocarbodianions salts as molecular building blocks for the synthesis of hydrogen bonded networks in the solid state","CrystEngComm","2006","8","2","178","","10.1039/b516238f","","","0.71073","MoKα","","0.0655","0.0376","","","0.0694","0.0773","","","","","","1.038","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203209","8.8659","0.0009","12.7545","0.0008","11.0019","0.0015","90","","110.91","0.007","90","","1162.2","0.2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H22 N10 O4 Pt S4 -","- C12 H22 N10 O4 Pt S4 -","- C24 H44 N20 O8 Pt2 S8 -","2","0.5","","Gale, Philip A.; Light, Mark E.; Quesada, Roberto","Tetrakis(thiourea)platinum(ii) oxocarbodianions salts as molecular building blocks for the synthesis of hydrogen bonded networks in the solid state","CrystEngComm","2006","8","2","178","","10.1039/b516238f","","","0.71073","MoKα","","0.0566","0.0301","","","0.0617","0.0708","","","","","","0.977","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203210","8.9202","0.0005","13.8259","0.0006","9.1159","0.0006","90","","116.182","0.005","90","","1008.91","0.11","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H20 N8 O6 Pt S4 -","- C8 H20 N8 O6 Pt S4 -","- C16 H40 N16 O12 Pt2 S8 -","2","0.5","","Gale, Philip A.; Light, Mark E.; Quesada, Roberto","Tetrakis(thiourea)platinum(ii) oxocarbodianions salts as molecular building blocks for the synthesis of hydrogen bonded networks in the solid state","CrystEngComm","2006","8","2","178","","10.1039/b516238f","","","0.71073","MoKα","","0.0198","0.0166","","","0.0357","0.0376","","","","","","1.066","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203211","21.409","0.004","14.734","0.003","14.767","0.003","90","","127.24","0.03","90","","3708.4","1.9","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H44 N8 O12 Pt S8 -","- C18 H44 N8 O12 Pt S8 -","- C72 H176 N32 O48 Pt4 S32 -","4","0.5","","Gale, Philip A.; Light, Mark E.; Quesada, Roberto","Tetrakis(thiourea)platinum(ii) oxocarbodianions salts as molecular building blocks for the synthesis of hydrogen bonded networks in the solid state","CrystEngComm","2006","8","2","178","","10.1039/b516238f","","","0.71073","MoKα","","0.048","0.028","","","0.0465","0.0516","","","","","","1.038","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203212","12.4153","0.0018","12.4153","0.0018","7.3494","0.0015","90","","90","","90","","1132.8","0.3","293","2","273","","","","","","","","","5","P -4","P -4","81","1,3,5,7-tetrakis(4-Phosphonophenyl)adamantane bis-chloroform solvate tetrahydrate","1,3,5,7-tetrakis(4-Phosphonophenyl)adamantane bis-chloroform solvate tetrahydrate","","- C36 H46 Cl6 O16 P4 -","- C36 H46 Cl6 O16 P4 -","- C36 H46 Cl6 O16 P4 -","1","0.25","","Jones, Katherine M. E.; Mahmoudkhani, Amir H.; Chandler, Brett D.; Shimizu, George K. H.","An adamantane-based tetraphosphonic acid that forms an open diamondoid net via a hydrogen-bonded phosphonic acid?water cluster","CrystEngComm","2006","8","4","303","","10.1039/b516332c","","x-ray","0.71073","MoKα","","0.0556","0.0471","","","0.114","0.1236","","","","","","1.075","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203214","14.034","0.01","13.205","0.017","3.699","0.008","90","","90","","90","","685.5","1.8","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C7 H4 N O4 -","- C7 H4 N O4 -","- C28 H16 N4 O16 -","4","1","","Grossel, Martin C.; Dwyer, Andrew N.; Hursthouse, Michael B.; Orton, James B.","Polymorphism in pyridine-2,6-dicarboxylic acid: Competition between “robust” synthons","CrystEngComm","2006","8","2","123","","10.1039/b516387k","","","0.71073","MoKα","","0.0759","0.0591","","","0.1573","0.1701","","","","","","1.039","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203215","3.6579","0.0001","11.0577","0.0004","21.5478","0.001","90","","93.02","0.001","90","","870.35","0.06","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H9 N O6 -","- C7 H9 N O6 -","- C28 H36 N4 O24 -","4","1","","Grossel, Martin C.; Dwyer, Andrew N.; Hursthouse, Michael B.; Orton, James B.","Polymorphism in pyridine-2,6-dicarboxylic acid: Competition between “robust” synthons","CrystEngComm","2006","8","2","123","","10.1039/b516387k","","","0.71073","MoKα","","0.0929","0.0466","","","0.0927","0.1119","","","","","","1.013","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203216","5.1793","0.0002","9.476","0.0003","8.5004","0.0003","90","","94.289","0.002","90","","416.02","0.03","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H6 Cl N O5 -","- C7 H6 Cl N O5 -","- C14 H12 Cl2 N2 O10 -","2","1","","Grossel, Martin C.; Dwyer, Andrew N.; Hursthouse, Michael B.; Orton, James B.","Polymorphism in pyridine-2,6-dicarboxylic acid: Competition between “robust” synthons","CrystEngComm","2006","8","2","123","","10.1039/b516387k","","","0.71073","MoKα","","0.0316","0.0294","","","0.0717","0.0735","","","","","","1.063","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203217","6.5411","0.0006","9.4198","0.0009","10.8119","0.0011","92.161","0.005","104.384","0.006","96.514","0.005","639.63","0.11","100","2","100","2","","","","","","","Synthesized by the authors. See text","4","P -1","-P 1","2","","","","- C26 H36 B2 O7 -","- C26 H36 B2 O7 -","- C26 H36 B2 O7 -","1","0.5","","Kenneth E. Maly; Thierry Maris; James D. Wuest","Two-dimensional hydrogen-bonded networks in crystals of diboronic acids","CrystEngComm","2006","","","33","35","10.1039/b516402h","","","1.54178","CuKα","","0.0749","0.0719","","","0.1756","0.1764","","","","","","1.113","","","","has coordinates,has disorder","180363","2020-10-21","18:00:00",""
"7203218","6.7104","0.0004","7.4452","0.0004","14.1376","0.0008","94.672","0.002","102.78","0.003","98.325","0.003","676.83","0.07","100","2","100","2","","","","","","","Synthesized by the authors. See text","4","P -1","-P 1","2","","","","- C26 H36 B2 O10 -","- C26 H36 B2 O10 -","- C26 H36 B2 O10 -","1","0.5","","Kenneth E. Maly; Thierry Maris; James D. Wuest","Two-dimensional hydrogen-bonded networks in crystals of diboronic acids","CrystEngComm","2006","","","33","35","10.1039/b516402h","","","1.54178","CuKα","","0.0773","0.0725","","","0.193","0.2043","","","","","","1.066","","","","has coordinates,has disorder","180363","2020-10-21","18:00:00",""
"7203219","11.343","0.0002","5.0685","0.0001","11.581","0.0002","90","","103.737","0.001","90","","646.77","0.02","200","2","200","2","","","","","","","Synthesized by the authors. See text","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 B2 O4 -","- C14 H12 B2 O4 -","- C28 H24 B4 O8 -","2","0.5","","Kenneth E. Maly; Thierry Maris; James D. Wuest","Two-dimensional hydrogen-bonded networks in crystals of diboronic acids","CrystEngComm","2006","","","33","35","10.1039/b516402h","","","1.54178","CuKα","","0.0367","0.0353","","","0.103","0.1048","","","","","","1.088","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203220","21.348","0.003","19.231","0.003","22.047","0.003","90","","105.139","0.003","90","","8737","2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Fullerene [70] phenol co-crystallisate","","- C170 H30 O5 -","- C170 H25 O5 -","- C680 H100 O20 -","4","1","","Schulz-Dobrick, Martin; Panthöfer, Martin; Jansen, Martin","Crystal structure of the supramolecular adduct 2 C70·5 C6H5OH containing hydrogen-bonded rings of phenol","CrystEngComm","2006","8","2","163","","10.1039/b516427c","","x-ray","0.71073","MoKα","","0.1996","0.1243","","","0.1067","0.1241","","","","2.99","2.99","2.47","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203221","12.948","0.001","7.334","0.001","13.849","0.001","90","","115.35","0.01","90","","1188.5","0.2","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","hexaamminecobalt(iii) dichloride selenocaynide","hexaamminecobalt(III) dichloride selenocaynide","","- C H18 Cl2 Co N7 Se -","- C H18 Cl2 Co N7 Se -","- C4 H72 Cl8 Co4 N28 Se4 -","4","0.5","","Pal Sharma, Raj; Bala, Ritu; Sharma, Rajni; Venugopalan, Paloth","‘Rings and rectangles’ mediated through weak interactions in ionic solids: Synthesis and packing analysis of [Co(NH3)6]Cl2SeCN and [Co(NH3)6]3Cl4(N3)5 in the crystalline state","CrystEngComm","2006","8","3","215","","10.1039/b516629b","","","0.71073","MoKα","","0.035","0.0328","","","0.0771","0.0785","","","","","","1.117","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203222","7.115","0.001","10.121","0.002","23.154","0.004","90","","90","","90","","1667.3","0.5","293","2","293","2","","","","","","","","4","I 2 2 2","I 2 2","23","","hexaamminecobalt(III) chloride diazide","","- Cl4 Co3 H54 N33 -","- Cl4 Co3 H54 N33 -","- Cl8 Co6 H108 N66 -","2","0.25","","Pal Sharma, Raj; Bala, Ritu; Sharma, Rajni; Venugopalan, Paloth","‘Rings and rectangles’ mediated through weak interactions in ionic solids: Synthesis and packing analysis of [Co(NH3)6]Cl2SeCN and [Co(NH3)6]3Cl4(N3)5 in the crystalline state","CrystEngComm","2006","8","3","215","","10.1039/b516629b","","","0.71073","MoKα","","0.0322","0.0275","","","0.0679","0.0706","","","","","","1.076","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203223","12.924","0.003","11.081","0.002","23.689","0.005","90","","90","","90","","3392.5","1.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","1,2-bis-(4-Fluorophenyl)-6-methoxy-1,2,3,4- tetrahydroisoquinoline","","","- C22 H19 F2 N O -","- C22 H19 F2 N O -","- C176 H152 F16 N8 O8 -","8","1","","Choudhury, Angshuman Roy; Row, Tayur N. Guru","Organic fluorine as crystal engineering tool: Evidence from packing features in fluorine substituted isoquinolines","CrystEngComm","2006","8","3","265","","10.1039/b516670e","","","0.71073","MoKα","","0.0373","0.0332","","","0.0849","0.088","","","","","","1.029","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203224","10.728","0.003","8.023","0.002","39.71","0.011","90","","90","","90","","3417.9","1.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","1-(3-Fluorophenyl)- 2- (4-Fluorophenyl)-6-methoxy-1,2,3,4- tetrahydroisoquinoline","","","- C22 H19 F2 N O -","- C22 H19 F2 N O -","- C176 H152 F16 N8 O8 -","8","1","","Choudhury, Angshuman Roy; Row, Tayur N. Guru","Organic fluorine as crystal engineering tool: Evidence from packing features in fluorine substituted isoquinolines","CrystEngComm","2006","8","3","265","","10.1039/b516670e","","","0.71073","MoKα","","0.1118","0.0517","","","0.1017","0.1348","","","","","","1.003","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203225","16.628","0.006","45.589","0.012","9.044","0.003","90","","90","","90","","6856","4","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","1,2-bis-(3-Fluorophenyl)-6-methoxy-1,2,3,4- tetrahydroisoquinoline","","","- C22 H18 F2 N O -","- C22 H17 F2 N O -","- C352 H272 F32 N16 O16 -","16","1","","Choudhury, Angshuman Roy; Row, Tayur N. Guru","Organic fluorine as crystal engineering tool: Evidence from packing features in fluorine substituted isoquinolines","CrystEngComm","2006","8","3","265","","10.1039/b516670e","","","0.71073","MoKα","","0.0283","0.0276","","","0.075","0.0757","","","","","","1.054","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203226","15.952","0.004","17.98","0.004","6.0391","0.0014","90","","90","","90","","1732.1","0.7","100","0.2","100","0.2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C22 H20 F N O -","- C22 H17 F N O -","- C88 H68 F4 N4 O4 -","4","1","","Choudhury, Angshuman Roy; Row, Tayur N. Guru","Organic fluorine as crystal engineering tool: Evidence from packing features in fluorine substituted isoquinolines","CrystEngComm","2006","8","3","265","","10.1039/b516670e","","","0.71073","MoKα","","0.1171","0.0842","","","0.2209","0.2455","","","","","","0.982","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203227","16.1076","0.0011","9.1597","0.0006","23.6002","0.0016","90","","107.116","0.001","90","","3327.8","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 F N O -","- C22 H19 F N O -","- C176 H152 F8 N8 O8 -","8","1","","Choudhury, Angshuman Roy; Row, Tayur N. Guru","Organic fluorine as crystal engineering tool: Evidence from packing features in fluorine substituted isoquinolines","CrystEngComm","2006","8","3","265","","10.1039/b516670e","","","0.71073","MoKα","","0.0455","0.0413","","","0.098","0.1004","","","","","","1.098","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203228","13.233","0.004","11.129","0.003","23.205","0.007","90","","90","","90","","3417.4","1.7","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H20 F N O -","- C22 H20 F N O -","- C176 H160 F8 N8 O8 -","8","1","","Choudhury, Angshuman Roy; Row, Tayur N. Guru","Organic fluorine as crystal engineering tool: Evidence from packing features in fluorine substituted isoquinolines","CrystEngComm","2006","8","3","265","","10.1039/b516670e","","","0.71073","MoKα","","0.0443","0.0375","","","0.0902","0.0947","","","","","","1.031","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203229","16.4791","0.0009","21.8079","0.0012","7.8598","0.0004","90","","104.85","0.03","90","","2730.3","0.5","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,7-Dimethoxy-5,10-bis(p-anisyl)-5,10-dihydrophenazine tricyanomethanide","","- C32 H26 N5 O4 -","- C32 H26 N5 O4 -","- C128 H104 N20 O16 -","4","0.5","","McKay, Scott E.; Wheeler, Kraig A.; Blackstock, Silas C.","A molecular salt of tricyanomethanide anion and a N,N′-dianisylphenazinium dication: cooperative affects of methoxy⋯methoxy and CN⋯N+ intermolecular contacts","CrystEngComm","2006","8","2","129","","10.1039/b516674h","","","0.71073","MoKα","","0.0833","0.0574","","","0.1461","0.1652","","","","","","1.104","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203230","6.9997","0.0004","16.426","0.0009","20.3312","0.0018","90","","90","","90","","2337.6","0.3","293","2","293","2","","","","","","","","4","P c 21 b","P -2bc -2c","29","","","","- C10 H26 Na4 O20 -","- C10 H2 Na4 O20 -","- C40 H8 Na16 O80 -","4","1","","Oscar Fabelo; Laura Cañadillas-Delgado; Jorge Pasán; Catalina Ruiz-Pérez; Miguel Julve","Influence of the presence of divalent first-row transition metal ions on the structure of sodium(<small>I</small>) salts of 1,2,3,4-benzenetetracarboxylic acid (H<small><sub>4</sub></small>bta)","CrystEngComm","2006","8","4","338","","10.1039/b516806f","","","0.71069","MoKα","","0.0949","0.0589","","","0.1404","0.1582","","","","","","1.039","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203231","7.3778","0.0004","20.1493","0.0006","10.4963","0.0004","90","","103.466","0.008","90","","1517.46","0.12","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C20 H28 Mn Na2 O26 -","- C20 H28 Mn Na2 O26 -","- C40 H56 Mn2 Na4 O52 -","2","0.25","","Oscar Fabelo; Laura Cañadillas-Delgado; Jorge Pasán; Catalina Ruiz-Pérez; Miguel Julve","Influence of the presence of divalent first-row transition metal ions on the structure of sodium(<small>I</small>) salts of 1,2,3,4-benzenetetracarboxylic acid (H<small><sub>4</sub></small>bta)","CrystEngComm","2006","8","4","338","","10.1039/b516806f","","","0.71069","MoKα","","0.0253","0.023","","","0.0629","0.0642","","","","","","1.091","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203232","7.2862","0.0004","20.1165","0.0007","10.4032","0.0003","90","","103.366","0.009","90","","1483.52","0.12","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C20 H28 Na2 Ni O26 -","- C20 H28 Na2 Ni O26 -","- C40 H56 Na4 Ni2 O52 -","2","0.25","","Oscar Fabelo; Laura Cañadillas-Delgado; Jorge Pasán; Catalina Ruiz-Pérez; Miguel Julve","Influence of the presence of divalent first-row transition metal ions on the structure of sodium(<small>I</small>) salts of 1,2,3,4-benzenetetracarboxylic acid (H<small><sub>4</sub></small>bta)","CrystEngComm","2006","8","4","338","","10.1039/b516806f","","","0.71069","MoKα","","0.0486","0.0376","","","0.0812","0.0851","","","","","","1.125","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203233","18.309","0.003","16.716","0.003","18.722","0.003","90","","91.812","0.003","90","","5727.1","1.7","120","2","120","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","AgBF4rev2","","","- C28 H28 Ag B F4 N4 O2 S2 -","- C28 H28 Ag B F4 N4 O2 S2 -","- C224 H224 Ag8 B8 F32 N32 O16 S16 -","8","2","","Russell, Jennifer M.; Parker, Andrew D. M.; Radosavljevic-Evans, Ivana; Howard, Judith A. K.; Steed, Jonathan W.","Anion-binding mode in a sulfanylphenyl urea complex: solid state symmetry breaking and solution chelation","CrystEngComm","2006","8","2","119","","10.1039/b516962c","","","0.71073","MoKα","","0.2219","0.1685","","","0.3604","0.3801","","","","","","1.113","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203234","18.2449","0.0009","16.2679","0.0008","18.9904","0.001","90","","90","","90","","5636.5","0.5","120","","120","","","","","","","","?","6","P b c a","-P 2ac 2ab","61","","","","- C28 H28 Ag N5 O5 S2 -","- C28 H28 Ag N5 O5 S2 -","- C224 H224 Ag8 N40 O40 S16 -","8","1","","Russell, Jennifer M.; Parker, Andrew D. M.; Radosavljevic-Evans, Ivana; Howard, Judith A. K.; Steed, Jonathan W.","Anion-binding mode in a sulfanylphenyl urea complex: solid state symmetry breaking and solution chelation","CrystEngComm","2006","8","2","119","","10.1039/b516962c","","","0.71073","MoKα","","0.0621","0.0338","","0.0779","0.0752","0.0752","","","","","","0.9004","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203235","9.3134","0.001","11.0006","0.0008","12.5519","0.0014","90","","97.193","0.013","90","","1275.9","0.2","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H6 Br F4 N -","- C15 H6 Br F4 N -","- C60 H24 Br4 F16 N4 -","4","1","","Mariaca, Raúl; Behrnd, Norwid-Rasmus; Eggli, Patrick; Stoeckli-Evans, Helen; Hulliger, Jürg","Synthesis and crystal engineering of fluorinated stilbenes","CrystEngComm","2006","8","3","222","","10.1039/b517032j","","","0.71073","MoKα","","0.0359","0.028","","","0.0673","0.0702","","","","","","0.989","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203236","7.2037","0.0017","8.087","0.0018","13.661","0.003","81.226","0.018","79.789","0.018","62.434","0.016","692","0.3","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H2 Br F8 N -","- C15 H2 Br F8 N -","- C30 H4 Br2 F16 N2 -","2","1","","Mariaca, Raúl; Behrnd, Norwid-Rasmus; Eggli, Patrick; Stoeckli-Evans, Helen; Hulliger, Jürg","Synthesis and crystal engineering of fluorinated stilbenes","CrystEngComm","2006","8","3","222","","10.1039/b517032j","","","0.71073","MoKα","","0.0656","0.0479","","","0.115","0.1248","","","","","","1.003","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203237","7.8616","0.001","8.3583","0.0011","10.1162","0.0014","91.004","0.011","95.029","0.011","107.029","0.01","632.49","0.15","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H6 Br F4 N -","- C15 H6 Br F4 N -","- C30 H12 Br2 F8 N2 -","2","1","","Mariaca, Raúl; Behrnd, Norwid-Rasmus; Eggli, Patrick; Stoeckli-Evans, Helen; Hulliger, Jürg","Synthesis and crystal engineering of fluorinated stilbenes","CrystEngComm","2006","8","3","222","","10.1039/b517032j","","","0.71073","MoKα","","0.0561","0.0512","","","0.1343","0.1379","","","","","","1.061","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203238","9.9795","0.0013","13.3572","0.0014","16.7277","0.0019","104.434","0.009","104.567","0.009","102.171","0.009","1999","0.4","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H10 Br N -","- C15 H10 Br N -","- C105 H70 Br7 N7 -","7","3.5","","Mariaca, Raúl; Behrnd, Norwid-Rasmus; Eggli, Patrick; Stoeckli-Evans, Helen; Hulliger, Jürg","Synthesis and crystal engineering of fluorinated stilbenes","CrystEngComm","2006","8","3","222","","10.1039/b517032j","","","0.71073","MoKα","","0.0837","0.0641","","","0.1523","0.1638","","","","","","1.074","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203239","20.976","0.007","9.346","0.0017","9.903","0.003","90","","106.98","0.02","90","","1856.8","0.9","240","2","240","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 Ag2 N4 O10 -","- C7 H6 Ag N2 O5 -","- C56 H48 Ag8 N16 O40 -","8","1","","Adeline Y. Robin; Jorge L. Sagué; Katharina M. Fromm","Part 1. Solubility effect on the formation of coordination polymer networks between AgNO<small><sub>3</sub></small> and <strong>L</strong> (<strong>L</strong> = ethanediyl bis(isonicotinate) as a function of solvent","CrystEngComm","2006","8","5","403","","10.1039/b517191a","","","0.71073","MoKα","","0.0854","0.0733","","","0.1742","0.1885","","","","","","0.868","","","","has coordinates,has disorder","180363","2020-10-21","18:00:00",""
"7203240","6.1591","0.0013","8.895","0.003","14.439","0.003","93.15","0.02","99.898","0.016","91.43","0.02","777.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 Ag N3 O7 -","- C14 H12 Ag N3 O7 -","- C28 H24 Ag2 N6 O14 -","2","1","","Adeline Y. Robin; Jorge L. Sagué; Katharina M. Fromm","Part 1. Solubility effect on the formation of coordination polymer networks between AgNO<small><sub>3</sub></small> and <strong>L</strong> (<strong>L</strong> = ethanediyl bis(isonicotinate) as a function of solvent","CrystEngComm","2006","8","5","403","","10.1039/b517191a","","","0.71073","MoKα","","0.0408","0.0312","","","0.0686","0.0732","","","","","","1.07","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203241","5.4567","0.0003","6.8657","0.0005","18.9798","0.0012","84.785","0.003","90.874","0.002","75.585","0.003","685.3","0.08","180","2","180","2","","","","","","","","4","P -1","-P 1","2","1:2 pyrazine/undecanoic acid","","","- C26 H48 N2 O4 -","- C26 H48 N2 O4 -","- C26 H48 N2 O4 -","1","0.5","","Bond, Andrew D.","Inversion of the melting point alternation in n-alkyl carboxylic acids by co-crystallization with pyrazine","CrystEngComm","2006","8","4","333","","10.1039/b517513e","","","0.71073","MoKα","","0.09","0.0637","","","0.1475","0.1667","","","","","","1.084","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203242","5.4447","0.0002","6.9028","0.0003","20.307","0.008","89.796","0.001","88.441","0.001","75.432","0.001","738.4","0.3","180","2","180","2","","","","","","","","4","P -1","-P 1","2","1:2 pyrazine/dodecanoic acid","","","- C28 H52 N2 O4 -","- C28 H52 N2 O4 -","- C28 H52 N2 O4 -","1","0.5","","Bond, Andrew D.","Inversion of the melting point alternation in n-alkyl carboxylic acids by co-crystallization with pyrazine","CrystEngComm","2006","8","4","333","","10.1039/b517513e","","","0.71073","MoKα","","0.0639","0.0558","","","0.164","0.1724","","","","","","1.088","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203243","5.4407","0.0009","6.8439","0.0011","21.498","0.004","84.694","0.003","92.957","0.003","75.574","0.003","769.6","0.2","180","2","180","2","","","","","","","","4","P -1","-P 1","2","2:1 pyrazine/tridecanoic acid","","","- C30 H56 N2 O4 -","- C30 H56 N2 O4 -","- C30 H56 N2 O4 -","1","0.5","","Bond, Andrew D.","Inversion of the melting point alternation in n-alkyl carboxylic acids by co-crystallization with pyrazine","CrystEngComm","2006","8","4","333","","10.1039/b517513e","","","0.71073","MoKα","","0.176","0.0809","","","0.1857","0.2334","","","","","","0.961","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203252","10.441","0.01","16.283","0.015","10.634","0.004","90","","100.42","0.05","90","","1778","2","120","2","120","2","","","","","","","Gareth Bates","5","P 1 21 1","P 2yb","4","","","","- C36 H48 Br Cl2 N5 -","- C36 H48 Br Cl2 N5 -","- C72 H96 Br2 Cl4 N10 -","2","1","","Bates, Gareth W.; Gale, Philip A.; Light, Mark E.","Ionic liquid?calix[4]pyrrole complexes: pyridinium inclusion in the calixpyrrole cup","CrystEngComm","2006","8","4","300","","10.1039/b600251j","","","0.71073","MoKα","","0.0924","0.0603","","","0.1247","0.1368","","","","","","1.03","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203253","10.4518","0.0005","16.2074","0.0008","10.5977","0.0003","90","","99.626","0.002","90","","1769.94","0.13","120","2","120","2","","","","","","","Gareth Bates","4","P 1 21 1","P 2yb","4","","","","- C37 H50 Cl3 N5 -","- C37 H50 Cl3 N5 -","- C74 H100 Cl6 N10 -","2","1","","Bates, Gareth W.; Gale, Philip A.; Light, Mark E.","Ionic liquid?calix[4]pyrrole complexes: pyridinium inclusion in the calixpyrrole cup","CrystEngComm","2006","8","4","300","","10.1039/b600251j","","","0.71073","MoKα","","0.0877","0.0575","","","0.1417","0.1582","","","","","","1.026","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203254","10.6105","0.0004","16.9689","0.0009","18.5412","0.001","90","","105.356","0.003","90","","3219.1","0.3","120","2","120","2","","","","","","","Gareth Bates","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 Br N5 -","- C36 H48 Br N5 -","- C144 H192 Br4 N20 -","4","1","","Bates, Gareth W.; Gale, Philip A.; Light, Mark E.","Ionic liquid?calix[4]pyrrole complexes: pyridinium inclusion in the calixpyrrole cup","CrystEngComm","2006","8","4","300","","10.1039/b600251j","","","0.71073","MoKα","","0.1431","0.0574","","","0.0936","0.1154","","","","","","1.004","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203255","10.3713","0.0004","16.0168","0.0006","10.5997","0.0002","90","","99.974","0.002","90","","1734.16","0.1","120","2","120","2","","","","","","","Gareth Bates","4","P 1 21 1","P 2yb","4","","","","- C36 H48 Cl3 N5 -","- C36 H48 Cl3 N5 -","- C72 H96 Cl6 N10 -","2","1","","Bates, Gareth W.; Gale, Philip A.; Light, Mark E.","Ionic liquid?calix[4]pyrrole complexes: pyridinium inclusion in the calixpyrrole cup","CrystEngComm","2006","8","4","300","","10.1039/b600251j","","","0.71073","MoKα","","0.0708","0.0432","","","0.0825","0.0917","","","","","","0.968","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203256","21.91","0.002","21.91","","20.559","0.002","90","","90","","120","","8547.1","1.1","150","2","150","2","","","","","","","","5","P 61","P 61","169","(C9H10N2O2)6.(CHCl3)","o-Acetamidobenzamide Chloroform (6/1)","","- C9.17 H10.17 Cl0.5 N2 O2 -","- C9.16667 H10.1667 Cl0.5 N2 O2 -","- C330 H366 Cl18 N72 O72 -","36","6","","Barnett, Sarah A.; Tocher, Derek A.; Vickers, Martin","The solvates of o-acetamidobenzamide","CrystEngComm","2006","8","4","313","","10.1039/b600288a","","","0.71073","MoKα","","0.0766","0.0583","","","0.1406","0.1541","","","","","","1.039","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7203257","9.604","0.0009","17.5606","0.0016","18.3598","0.0017","72.468","0.002","86.767","0.002","75.422","0.002","2856.9","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","(C9H10N2O2)6.(C3H8O)","o-Acetamidobenzamide 1-propanol solvate (6/1)","","- C9.5 H11.33 N2 O2.17 -","- C9.5 H11.3333 N2 O2.16667 -","- C114 H136 N24 O26 -","12","6","","Barnett, Sarah A.; Tocher, Derek A.; Vickers, Martin","The solvates of o-acetamidobenzamide","CrystEngComm","2006","8","4","313","","10.1039/b600288a","","","0.71073","MoKα","","0.122","0.0617","","","0.1377","0.1688","","","","","","1.01","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7203258","9.145","0.006","18.334","0.012","19.059","0.012","67.29","0.01","86.635","0.011","81.875","0.011","2918","3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","(C9H10N2O2)6.(C4H10O)","o-Acetamidobenzamide 1-butanol solvate (6/1)","","- C9.67 H11.67 N2 O2.17 -","- C9.66667 H11.6667 N2 O2.16667 -","- C116 H140 N24 O26 -","12","6","","Barnett, Sarah A.; Tocher, Derek A.; Vickers, Martin","The solvates of o-acetamidobenzamide","CrystEngComm","2006","8","4","313","","10.1039/b600288a","","","0.71073","MoKα","","0.1938","0.1","","","0.2394","0.2935","","","","","","0.886","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7203259","9.8722","0.0014","17.541","0.002","17.977","0.003","73.288","0.003","86.046","0.003","75.975","0.003","2892.7","0.7","150","2","150","2","","","","","","","","4","P -1","-P 1","2","(C9H10N2O2)6.(C4H10O)","o-Acetamidobenzamide 2-Butanol solvate (6/1)","","- C9.67 H11.67 N2 O2.17 -","- C9.66667 H11 N2 O2.16667 -","- C116 H132 N24 O26 -","12","6","","Barnett, Sarah A.; Tocher, Derek A.; Vickers, Martin","The solvates of o-acetamidobenzamide","CrystEngComm","2006","8","4","313","","10.1039/b600288a","","","0.71073","MoKα","","0.1124","0.0654","","","0.1497","0.1791","","","","","","1.025","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7203260","9.2597","0.0012","17.732","0.002","19.021","0.002","71.009","0.002","87.503","0.003","75.724","0.003","2859.6","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","(C9H10N2O2)6.(C2H4Cl2)","o-Acetamidobenzamide 1,2-Dichloroethane solvate (6/1)","","- C9.33 H10.67 Cl0.33 N2 O2 -","- C9.33333 H10 Cl0.333333 N2 O2 -","- C112 H120 Cl4 N24 O24 -","12","6","","Barnett, Sarah A.; Tocher, Derek A.; Vickers, Martin","The solvates of o-acetamidobenzamide","CrystEngComm","2006","8","4","313","","10.1039/b600288a","","","0.71073","MoKα","","0.1098","0.0679","","","0.1735","0.1986","","","","","","1.035","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7203261","9.746","0.01","17.664","0.018","18.548","0.019","73.29","0.016","85.649","0.018","75.83","0.02","2965","5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","(C9H10N2O2)6.(C4H8O2)","o-Acetamidobenzamide 1,4-Dioxane solvate (6/1)","","- C9.67 H11.33 N2 O2.33 -","- C9.66667 H10 N2 O2.33333 -","- C116 H120 N24 O28 -","12","6","","Barnett, Sarah A.; Tocher, Derek A.; Vickers, Martin","The solvates of o-acetamidobenzamide","CrystEngComm","2006","8","4","313","","10.1039/b600288a","","","0.71073","MoKα","","0.3594","0.2059","","","0.391","0.4703","","","","","","1.127","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7203262","5.2602","0.0004","9.29","0.001","16.674","0.003","90","","90","","90","","814.81","0.18","120","1","120","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Isopropyl-(R)-(-)-3,3-difluorolactate","","","- C6 H10 F2 O3 -","- C6 H10 F2 O3 -","- C24 H40 F8 O12 -","4","1","","Takahashi, Satoshi; Jukurogi, Tatsuya; Katagiri, Toshimasa; Uneyama, Kenji","Isomorphic supramolecular structures via one-dimensional hydrogen bonding motifs in crystals of chiral difluorolactates, trichlorolactates and trifluorolactates","CrystEngComm","2006","8","4","320","","10.1039/b600325g","","","0.71069","MoKα","","0.0346","0.0331","","","0.088","0.0888","","","","","","1.036","","","","has coordinates,has disorder","180363","2020-10-21","18:00:00",""
"7203263","18.8223","0.0006","5.1467","0.0001","7.7739","0.0003","90","","90","","90","","753.08","0.04","120","1","120","1","","","","","","","","4","P 21 21 2","P 2 2ab","18","Hexamethylene-(R,R)-bis(3,3-difluorolactate)","","","- C12 H18 F4 O6 -","- C12 H18 F4 O6 -","- C24 H36 F8 O12 -","2","0.5","","Takahashi, Satoshi; Jukurogi, Tatsuya; Katagiri, Toshimasa; Uneyama, Kenji","Isomorphic supramolecular structures via one-dimensional hydrogen bonding motifs in crystals of chiral difluorolactates, trichlorolactates and trifluorolactates","CrystEngComm","2006","8","4","320","","10.1039/b600325g","","","0.71069","MoKα","","0.0554","0.0473","","","0.0969","0.0994","","","","","","1.216","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203264","8.6464","0.0003","5.6435","0.0001","10.8654","0.0004","90","","109.451","0.001","90","","499.93","0.03","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","Isopropyl-(S)-(-)-3,3,3-trichlorolactate","","","- C6 H9 Cl3 O3 -","- C6 H9 Cl3 O3 -","- C12 H18 Cl6 O6 -","2","1","","Takahashi, Satoshi; Jukurogi, Tatsuya; Katagiri, Toshimasa; Uneyama, Kenji","Isomorphic supramolecular structures via one-dimensional hydrogen bonding motifs in crystals of chiral difluorolactates, trichlorolactates and trifluorolactates","CrystEngComm","2006","8","4","320","","10.1039/b600325g","","","0.71069","MoKα","","0.0271","0.0266","","","0.0657","0.0659","","","","","","1.172","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203265","21.7785","0.0017","5.7582","0.0002","8.4827","0.0007","90","","90","","90","","1063.77","0.13","150","1","150","1","","","","","","","","4","P 21 21 2","P 2 2ab","18","(-)-Octamethylene-(S,S)-bis(3,3,3-trichlorolactate)","","","- C14 H20 Cl6 O6 -","- C14 H20 Cl6 O6 -","- C28 H40 Cl12 O12 -","2","0.5","","Takahashi, Satoshi; Jukurogi, Tatsuya; Katagiri, Toshimasa; Uneyama, Kenji","Isomorphic supramolecular structures via one-dimensional hydrogen bonding motifs in crystals of chiral difluorolactates, trichlorolactates and trifluorolactates","CrystEngComm","2006","8","4","320","","10.1039/b600325g","","","0.71069","MoKα","","0.0505","0.0424","","","0.0883","0.0908","","","","","","1.176","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203266","9.2129","0.0001","6.6622","0.0002","12.5141","0.0003","90","","103.89","0.002","90","","745.63","0.03","296","1","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","(+)-(S)-1-Phenylethylammonium-(S)-3,3,3-trichlorolactate","","","- C11 H14 Cl3 N O3 -","- C11 H14 Cl3 N O3 -","- C22 H28 Cl6 N2 O6 -","2","1","","Takahashi, Satoshi; Jukurogi, Tatsuya; Katagiri, Toshimasa; Uneyama, Kenji","Isomorphic supramolecular structures via one-dimensional hydrogen bonding motifs in crystals of chiral difluorolactates, trichlorolactates and trifluorolactates","CrystEngComm","2006","8","4","320","","10.1039/b600325g","","","0.71069","MoKα","","0.0726","0.0607","","","0.1499","0.1562","","","","","","1.117","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203267","14.958","0.0005","14.166","0.0004","12.105","0.0004","90","","99.174","0.002","90","","2532.18","0.14","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H44 Co N2 O18 S2 -","- C8 H44 Co N2 O18 S2 -","- C32 H176 Co4 N8 O72 S8 -","4","1","","Galloway, Kyle W.; Parkin, Andrew; Harte, Suzanne M.; Ferguson, Alan; Murrie, Mark","Tuning the structural motif by tuning the countercation size: from double salts to a 1-D coordination polymer","CrystEngComm","2006","8","4","346","","10.1039/b600447d","","","0.71073","MoKα","","0.0718","0.031","","0.0651","0.0591","0.0651","","","","","","0.6573","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203268","6.9495","0.0002","16.0265","0.0005","14.7693","0.0005","90","","101.867","0.002","90","","1609.79","0.09","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H60 Co N2 O18 S2 -","- C16 H60 Co N2 O18 S2 -","- C32 H120 Co2 N4 O36 S4 -","2","0.5","","Galloway, Kyle W.; Parkin, Andrew; Harte, Suzanne M.; Ferguson, Alan; Murrie, Mark","Tuning the structural motif by tuning the countercation size: from double salts to a 1-D coordination polymer","CrystEngComm","2006","8","4","346","","10.1039/b600447d","","","0.71073","MoKα","","0.0805","0.0412","","0.0849","0.0774","0.0849","","","","","","0.8407","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203269","15.2597","0.0004","23.4134","0.0006","16.9043","0.0003","90","","101.739","0.001","90","","5913.3","0.2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H49 Co N O11 -","- C22 H49 Co N O11 -","- C176 H392 Co8 N8 O88 -","8","2","","Galloway, Kyle W.; Parkin, Andrew; Harte, Suzanne M.; Ferguson, Alan; Murrie, Mark","Tuning the structural motif by tuning the countercation size: from double salts to a 1-D coordination polymer","CrystEngComm","2006","8","4","346","","10.1039/b600447d","","","0.71073","MoKα","","0.1341","0.054","","0.152","0.1338","0.152","","","","","","0.8225","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203270","19.257","0.001","19.257","","27.718","0.002","90","","90","","90","","10278.7","0.9","153","2","153","2","","","","","","","","3","P 4/n c c :2","-P 4a 2ac","130","","","","- C176 H50 O5 -","- C176 H48 O5 -","- C704 H192 O20 -","4","0.25","","Makha, Mohamed; Raston, Colin L.; Sobolev, Alexandre N.; Barbour, Leonard J.; Turner, Peter","Endo- versus?exo-cavity interplay of p-benzylcalix[4]arene with spheroidal molecules","CrystEngComm","2006","8","4","306","","10.1039/b600550k","","","0.55","synchrotron","","0.1367","0.1293","","","0.3701","0.3816","","","","","","0.967","","","","has coordinates,has disorder","180363","2020-10-21","18:00:00",""
"7203271","21.2568","0.0004","10.0977","0.0003","26.6014","0.0009","90","","113.269","0.001","90","","5245.4","0.3","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C58 H60 B10 O4 -","- C58 H60 B10 O4 -","- C232 H240 B40 O16 -","4","1","","Makha, Mohamed; Raston, Colin L.; Sobolev, Alexandre N.; Barbour, Leonard J.; Turner, Peter","Endo- versus?exo-cavity interplay of p-benzylcalix[4]arene with spheroidal molecules","CrystEngComm","2006","8","4","306","","10.1039/b600550k","","","0.7107","MoKα","","0.3208","0.0787","","","0.108","0.1499","","","","","","0.958","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203272","13.773","0.002","13.773","0.002","6.998","0.002","90","","90","","120","","1149.6","0.4","294","","","","","","","","","","","3","P 31 2 1","P 31 2""","152","","","","- C16.5 H27.5 O2 -","- C16.5 H28.5 O2 -","- C49.5 H85.5 O6 -","3","0.5","","Yue, Weimin; Nakano, Kazunori; Bishop, Roger; Craig, Donald C.; Harris, Kenneth D. M.; Scudder, Marcia L.","Alternative hydrogen bonding modes employed by a helical tubuland diol host molecule","CrystEngComm","2006","8","3","250","","10.1039/b600651e","","","1.54184","CuKα","","","0.051","","","","0.067","","","","","","1.68","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203273","7.328","0.002","13.46","0.002","19.037","0.004","90","","91.87","0.01","90","","1876.7","0.7","294","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H27 F3 O4 -","- C17 H27 F3 O4 -","- C68 H108 F12 O16 -","4","1","","Yue, Weimin; Nakano, Kazunori; Bishop, Roger; Craig, Donald C.; Harris, Kenneth D. M.; Scudder, Marcia L.","Alternative hydrogen bonding modes employed by a helical tubuland diol host molecule","CrystEngComm","2006","8","3","250","","10.1039/b600651e","","","1.54184","CuKα","","","0.116","","","","0.173","","","","","","2.22","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203274","7.037","0.002","13.661","0.002","18.194","0.005","90","","107.19","0.01","90","","1670.9","0.7","294","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H32 O3 -","- C17 H32 O3 -","- C68 H128 O12 -","4","1","","Yue, Weimin; Nakano, Kazunori; Bishop, Roger; Craig, Donald C.; Harris, Kenneth D. M.; Scudder, Marcia L.","Alternative hydrogen bonding modes employed by a helical tubuland diol host molecule","CrystEngComm","2006","8","3","250","","10.1039/b600651e","","","1.54184","CuKα","","","0.06","","","","0.106","","","","","","1.89","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203275","7.536","0.003","13.657","0.003","17.238","0.007","90","","106.91","0.02","90","","1697.4","1.1","294","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H30 O4 -","- C17 H30 O4 -","- C68 H120 O16 -","4","1","","Yue, Weimin; Nakano, Kazunori; Bishop, Roger; Craig, Donald C.; Harris, Kenneth D. M.; Scudder, Marcia L.","Alternative hydrogen bonding modes employed by a helical tubuland diol host molecule","CrystEngComm","2006","8","3","250","","10.1039/b600651e","","","0.71073","MoKα","","","0.065","","","","0.081","","","","","","1.77","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203276","6.908","0.004","13.833","0.005","18.981","0.007","90","","97.99","0.02","90","","1796.2","1.4","294","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H34 O3 -","- C18 H34 O3 -","- C72 H136 O12 -","4","1","","Yue, Weimin; Nakano, Kazunori; Bishop, Roger; Craig, Donald C.; Harris, Kenneth D. M.; Scudder, Marcia L.","Alternative hydrogen bonding modes employed by a helical tubuland diol host molecule","CrystEngComm","2006","8","3","250","","10.1039/b600651e","","","0.71073","MoKα","","","0.068","","","","0.092","","","","","","1.85","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203277","7.777","0.004","14.093","0.007","15.21","0.007","86.12","0.03","82.12","0.02","79.66","0.02","1622.9","1.4","294","","","","","","","","","","","3","P -1","-P 1","2","","","","- C33 H61 O7 -","- C33 H61 O7 -","- C66 H122 O14 -","2","1","","Yue, Weimin; Nakano, Kazunori; Bishop, Roger; Craig, Donald C.; Harris, Kenneth D. M.; Scudder, Marcia L.","Alternative hydrogen bonding modes employed by a helical tubuland diol host molecule","CrystEngComm","2006","8","3","250","","10.1039/b600651e","","","0.71073","MoKα","","","0.076","","","","0.092","","","","","","1.89","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203278","6.991","0.004","13.781","0.006","20.216","0.008","90","","97.6","0.03","90","","1930.6","1.6","294","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H36 O3 -","- C19 H36 O3 -","- C76 H144 O12 -","4","1","","Yue, Weimin; Nakano, Kazunori; Bishop, Roger; Craig, Donald C.; Harris, Kenneth D. M.; Scudder, Marcia L.","Alternative hydrogen bonding modes employed by a helical tubuland diol host molecule","CrystEngComm","2006","8","3","250","","10.1039/b600651e","","","0.71073","MoKα","","","0.107","","","","0.136","","","","","","1.99","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203279","7.3278","0.0002","21.8954","0.0008","11.7204","0.0004","90","","97.01","","90","","1866.42","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 Co N4 O4 -","- C22 H14 Co N4 O4 -","- C88 H56 Co4 N16 O16 -","4","1","","Xia, Chang-Kun; Lu, Can-Zhong; Yuan, Da-Qiang; Zhang, Quan-Zheng; Wu, Xiao-Yuan; Xiang, Sheng-Chang; Zhang, Jian-Jun; Wu, Ding-Ming","Syntheses, crystal structures, and properties of complexes constructed with polybenzoate and 2,2′-bibenzimidazole","CrystEngComm","2006","8","3","281","","10.1039/b600741d","","","0.71073","MoKα","","0.1027","0.0733","","","0.136","0.151","","","","","","1.252","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203280","7.2779","0.0011","21.675","0.003","11.786","0.002","90","","97.484","0.007","90","","1843.4","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 N4 Ni O4 -","- C22 H14 N4 Ni O4 -","- C88 H56 N16 Ni4 O16 -","4","1","","Xia, Chang-Kun; Lu, Can-Zhong; Yuan, Da-Qiang; Zhang, Quan-Zheng; Wu, Xiao-Yuan; Xiang, Sheng-Chang; Zhang, Jian-Jun; Wu, Ding-Ming","Syntheses, crystal structures, and properties of complexes constructed with polybenzoate and 2,2′-bibenzimidazole","CrystEngComm","2006","8","3","281","","10.1039/b600741d","","","0.71073","MoKα","","0.1059","0.069","","","0.1188","0.1319","","","","","","1.11","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203281","13.4816","0.0005","22.1896","0.0008","12.2588","0.0004","90","","116.196","0.001","90","","3290.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 Co N8 O5 -","- C36 H26 Co N8 O5 -","- C144 H104 Co4 N32 O20 -","4","1","","Xia, Chang-Kun; Lu, Can-Zhong; Yuan, Da-Qiang; Zhang, Quan-Zheng; Wu, Xiao-Yuan; Xiang, Sheng-Chang; Zhang, Jian-Jun; Wu, Ding-Ming","Syntheses, crystal structures, and properties of complexes constructed with polybenzoate and 2,2′-bibenzimidazole","CrystEngComm","2006","8","3","281","","10.1039/b600741d","","","0.71073","MoKα","","0.0996","0.0618","","","0.1187","0.1374","","","","","","1.236","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203282","17.5096","0.0004","33.7329","0.0007","15.2861","0.0004","90","","98.121","0.001","90","","8938.2","0.4","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C88 H69 Co4 N20 O19 -","- C88 H54 Co4 N20 O19 -","- C352 H216 Co16 N80 O76 -","4","1","","Xia, Chang-Kun; Lu, Can-Zhong; Yuan, Da-Qiang; Zhang, Quan-Zheng; Wu, Xiao-Yuan; Xiang, Sheng-Chang; Zhang, Jian-Jun; Wu, Ding-Ming","Syntheses, crystal structures, and properties of complexes constructed with polybenzoate and 2,2′-bibenzimidazole","CrystEngComm","2006","8","3","281","","10.1039/b600741d","","","0.71073","MoKα","","0.0924","0.0685","","","0.15","0.1711","","","","","","1.134","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203283","11.3758","0.0018","11.982","0.002","12.6203","0.0019","104.568","0.006","97.853","0.002","108.063","0.006","1539.2","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H42 Co2 N16 O8 -","- C66 H42 Co2 N16 O8 -","- C66 H42 Co2 N16 O8 -","1","0.5","","Xia, Chang-Kun; Lu, Can-Zhong; Yuan, Da-Qiang; Zhang, Quan-Zheng; Wu, Xiao-Yuan; Xiang, Sheng-Chang; Zhang, Jian-Jun; Wu, Ding-Ming","Syntheses, crystal structures, and properties of complexes constructed with polybenzoate and 2,2′-bibenzimidazole","CrystEngComm","2006","8","3","281","","10.1039/b600741d","","","0.71073","MoKα","","0.0816","0.0559","","","0.1177","0.1345","","","","","","1.098","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203284","12.1901","0.0002","28.2433","0.0004","14.47","","90","","92.304","0.001","90","","4977.83","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H40 N12 Ni O7 -","- C50 H34 N12 Ni O7 -","- C200 H136 N48 Ni4 O28 -","4","1","","Xia, Chang-Kun; Lu, Can-Zhong; Yuan, Da-Qiang; Zhang, Quan-Zheng; Wu, Xiao-Yuan; Xiang, Sheng-Chang; Zhang, Jian-Jun; Wu, Ding-Ming","Syntheses, crystal structures, and properties of complexes constructed with polybenzoate and 2,2′-bibenzimidazole","CrystEngComm","2006","8","3","281","","10.1039/b600741d","","","0.71073","MoKα","","0.1515","0.1049","","","0.1843","0.2101","","","","","","1.321","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203285","10.1051","0.0006","28.8085","0.0018","4.838","0.0002","90","","103.868","0.01","90","","1367.35","0.14","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 N2 O3 -","- C15 H16 N2 O3 -","- C60 H64 N8 O12 -","4","1","","Gelbrich, Thomas; Hursthouse, Michael B.","Systematic investigation of the relationships between 25 crystal structures containing the carbamazepine molecule or a close analogue: a case study of the XPac method","CrystEngComm","2006","8","6","448","","10.1039/b600753h","","","0.71073","MoKα","","0.1038","0.0506","","","0.077","0.0856","","","","","","1.171","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203286","51.227","0.003","51.227","0.003","12.8243","0.0008","90","","90","","120","","29145","3","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C300 H426 Fe30 O168 -","- C300 H426 Fe30 O168 -","- C900 H1278 Fe90 O504 -","3","0.166667","","Jiang, Guoqing; Li, Yizhi; Hua, Weijie; Song, You; Bai, Junfeng; Li, Shuhua; Scheer, Manfred; You, Xiaozeng","A supramolecular assembly of {Fe10} molecular wheels with tubular structures","CrystEngComm","2006","8","5","384","","10.1039/b600875e","","","0.71073","MoKα","","0.0885","0.0598","","","0.1171","0.1222","","","","","","1.064","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203287","11.104","0.0004","12.3528","0.0005","12.8493","0.0005","112.138","0.002","98.411","0.002","103.464","0.002","1533.17","0.11","150","2","150","2","","","","","","","","7","P 1","P 1","1","","","","- C62 H58 B2 Cu F8 N6 S5 -","- C62 H58 B2 Cu F8 N6 S5 -","- C62 H58 B2 Cu F8 N6 S5 -","1","1","","Holmes, Kathryn E.; Kelly, Paul F.; Dale, Sophie H.; Elsegood, Mark R. J.","New observations of structural diversity in copper(ii) complexes of diphenylsulfimide","CrystEngComm","2006","8","5","391","","10.1039/b601230b","","","0.71073","MoKα","","0.0244","0.0231","","","0.0583","0.0592","","","","","","1.026","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203288","16.743","0.0006","20.5911","0.0007","30.9059","0.0011","90","","90","","90","","10655","0.6","150","2","150","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C52 H52 B2 Cu F8 N5 O0.5 S4 -","- C52 H52 B1.5 Cu F6 N5 O0.5 S4 -","- C416 H416 B12 Cu8 F48 N40 O4 S32 -","8","1","","Holmes, Kathryn E.; Kelly, Paul F.; Dale, Sophie H.; Elsegood, Mark R. J.","New observations of structural diversity in copper(ii) complexes of diphenylsulfimide","CrystEngComm","2006","8","5","391","","10.1039/b601230b","","","0.71073","MoKα","","0.0924","0.0594","","","0.1596","0.1774","","","","","","1.127","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7203289","17.1827","0.0007","20.0047","0.0009","14.4205","0.0006","90","","103.157","0.002","90","","4826.7","0.4","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H44 Cl2 Cu N4 O8 S4 -","- C48 H44 Cl2 Cu N4 O8 S4 -","- C192 H176 Cl8 Cu4 N16 O32 S16 -","4","0.5","","Holmes, Kathryn E.; Kelly, Paul F.; Dale, Sophie H.; Elsegood, Mark R. J.","New observations of structural diversity in copper(ii) complexes of diphenylsulfimide","CrystEngComm","2006","8","5","391","","10.1039/b601230b","","","0.71073","MoKα","","0.0404","0.03","","","0.0736","0.0796","","","","","","1.032","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203290","14.7535","0.0008","10.3848","0.0006","35.2904","0.0019","90","","99.713","0.002","90","","5329.4","0.5","150","2","150","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C50 H51 Cl2 Cu N4 O9.5 S4 -","- C50 H44 Cl2 Cu N4 O9.5 S4 -","- C200 H176 Cl8 Cu4 N16 O38 S16 -","4","1","","Holmes, Kathryn E.; Kelly, Paul F.; Dale, Sophie H.; Elsegood, Mark R. J.","New observations of structural diversity in copper(ii) complexes of diphenylsulfimide","CrystEngComm","2006","8","5","391","","10.1039/b601230b","","","0.71073","MoKα","","0.0868","0.0671","","","0.1611","0.1736","","","","","","1.041","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7203291","10.4903","0.0004","23.5948","0.0008","19.4528","0.0007","90","","100.126","0.002","90","","4739.9","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H44 Cu N6 O6 S4 -","- C48 H44 Cu N6 O6 S4 -","- C192 H176 Cu4 N24 O24 S16 -","4","1","","Holmes, Kathryn E.; Kelly, Paul F.; Dale, Sophie H.; Elsegood, Mark R. J.","New observations of structural diversity in copper(ii) complexes of diphenylsulfimide","CrystEngComm","2006","8","5","391","","10.1039/b601230b","","","0.71073","MoKα","","0.0402","0.0304","","","0.079","0.0864","","","","","","1.04","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203292","10.4434","0.0005","16.95","0.0008","30.3408","0.0013","90","","92.81","0.002","90","","5364.3","0.4","150","2","150","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C108 H103 Cu2 N13 O14 S9 -","- C108 H99 Cu2 N13 O14 S9 -","- C216 H198 Cu4 N26 O28 S18 -","2","1","","Holmes, Kathryn E.; Kelly, Paul F.; Dale, Sophie H.; Elsegood, Mark R. J.","New observations of structural diversity in copper(ii) complexes of diphenylsulfimide","CrystEngComm","2006","8","5","391","","10.1039/b601230b","","","0.71073","MoKα","","0.111","0.0578","","","0.1183","0.1427","","","","","","1.023","","","","has coordinates,has disorder","180363","2020-10-21","18:00:00",""
"7203295","3.8917","0.0005","6.9999","0.0008","22.977","0.003","90","","90.798","0.002","90","","625.87","0.14","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(E,E)-1,2-bis-4-chlorobenzaldazine","(E,E)-1,2-bis-4-chlorobenzaldazine","","- C14 H10 Cl2 N2 -","- C14 H10 Cl2 N2 -","- C28 H20 Cl4 N4 -","2","0.5","","Glaser, Rainer; Murphy, Richard F.; Sui, Yongqiang; Barnes, Charles L.; Kim, Sung Hoon","Multifurcated halogen bonding involving Ph?Cl?H?CPh?N?R? interactions and its relation to idioteloamphiphile layer architecture","CrystEngComm","2006","8","5","372","","10.1039/b601467d","","","0.71073","MoKα","","0.0348","0.0328","","","0.0851","0.0867","","","","","","1.079","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203296","13.6878","0.0002","16.3438","0.0003","22.3279","0.0005","77.892","0.001","86.092","0.001","83.936","0.001","4851.11","0.16","113","2","113","2","","","","","","","","5","P -1","-P 1","2","none","1^4^,1^6^,5^4^,5^6^-tetrahydroxy-2,4,6,8-tetrapentyl-3^4^,3^6^,7^4^,7^6^- tetra(p-toluenesulfonyl-oxy) -1,3,5,7(1,3)-tetrabenzenacyclooctaphane.5(2-picoline) clathrate","","- C106 H123 N5 O16 S4 -","- C106 H105 N5 O16 S4 -","- C212 H210 N10 O32 S8 -","2","1","","Caira, Mino R.; le Roex, Tanya; Nassimbeni, Luigi R.","Selective enclathration of picoline isomers by a resorcinarene host","CrystEngComm","2006","8","3","275","","10.1039/b601560c","","","0.71073","MoKα","","0.0956","0.0546","","","0.1303","0.1515","","","","","","0.98","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203297","44.8472","0.0003","20.7901","0.0002","23.3348","0.0002","90","","117.239","0.001","90","","19344.1","0.3","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","none","1^4^,1^6^,5^4^,5^6^-tetrahydroxy-2,4,6,8-tetrapentyl-3^4^,3^6^,7^4^,7^6^ -tetra(p-toluenesulfonyl-oxy) -1,3,5,7(1,3)-tetrabenzenacyclooctaphane. 4.5(3-picoline). 0.5(H2O) clathrate","","- C103 H120.5 N4.5 O16.5 S4 -","- C103 H102 N4.5 O17 S4 -","- C824 H816 N36 O136 S32 -","8","1","","Caira, Mino R.; le Roex, Tanya; Nassimbeni, Luigi R.","Selective enclathration of picoline isomers by a resorcinarene host","CrystEngComm","2006","8","3","275","","10.1039/b601560c","","","0.71073","MoKα","","0.1296","0.0811","","","0.2117","0.2447","","","","","","1.042","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203298","16.9366","0.0001","17.9477","0.0002","19.4997","0.0002","104.495","0.001","96.671","0.001","105.44","","5424.44","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","none","1^4^,1^6^,5^4^,5^6^-tetrahydroxy-2,4,6,8-tetrapentyl-3^4^,3^6^,7^4^,7^6^ -tetra(p-toluenesulfonyl-oxy) -1,3,5,7(1,3)-tetrabenzenacyclooctaphane. 6.5(4-picoline). 2(H2O) clathrate","","- C112 H130 N6 O16 S4 -","- C114.5 H105 N6.93 O18 S4 -","- C229 H210 N13.86 O36 S8 -","2","1","","Caira, Mino R.; le Roex, Tanya; Nassimbeni, Luigi R.","Selective enclathration of picoline isomers by a resorcinarene host","CrystEngComm","2006","8","3","275","","10.1039/b601560c","","","0.71073","MoKα","","0.1114","0.0687","","","0.1768","0.2041","","","","","","1.043","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203301","14.4629","0.0005","16.4777","0.0008","10.6768","0.0005","90","","108.359","0.003","90","","2414.94","0.19","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H40 N6 O12 -","- C60 H40 N6 O12 -","- C120 H80 N12 O24 -","2","0.5","","George, Sumod; Lipstman, Sophia; Muniappan, Sankar; Goldberg, Israel","Porphyrin network solids: examples of supramolecular isomerism, noncentrosymmetric architectures and competing solvation","CrystEngComm","2006","8","5","417","","10.1039/b601889k","","","0.71073","MoKα","","0.1465","0.0565","","","0.102","0.1301","","","","","","0.939","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203302","10.9364","0.0006","8.8819","0.0005","19.9898","0.0007","90","","101.773","0.003","90","","1900.88","0.16","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C48 H27 Mn N4 O8 -","- C48 H27 Mn N4 O8 -","- C96 H54 Mn2 N8 O16 -","2","1","","George, Sumod; Lipstman, Sophia; Muniappan, Sankar; Goldberg, Israel","Porphyrin network solids: examples of supramolecular isomerism, noncentrosymmetric architectures and competing solvation","CrystEngComm","2006","8","5","417","","10.1039/b601889k","","","0.71073","MoKα","","0.1035","0.064","","","0.1347","0.155","","","","","","1.033","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203303","19.8264","0.0005","19.8264","0.0005","9.446","0.0002","90","","90","","90","","3713.09","0.15","110","2","110","2","","","","","","","","6","P 42","P 4c","77","","","","- C45 H31 Cl Mn N4 O5 -","- C45 H31 Cl Mn N4 O5 -","- C180 H124 Cl4 Mn4 N16 O20 -","4","1","","George, Sumod; Lipstman, Sophia; Muniappan, Sankar; Goldberg, Israel","Porphyrin network solids: examples of supramolecular isomerism, noncentrosymmetric architectures and competing solvation","CrystEngComm","2006","8","5","417","","10.1039/b601889k","","","0.71073","MoKα","","0.094","0.0637","","","0.1656","0.192","","","","","","1.008","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203304","8.5521","0.0002","11.4432","0.0006","19.4875","0.0008","87.8501","0.0018","88.857","0.003","82.044","0.003","1887.22","0.13","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H72 Cu N8 O20 S4 -","- C80 H72 Cu N8 O20 S4 -","- C80 H72 Cu N8 O20 S4 -","1","0.5","","George, Sumod; Lipstman, Sophia; Muniappan, Sankar; Goldberg, Israel","Porphyrin network solids: examples of supramolecular isomerism, noncentrosymmetric architectures and competing solvation","CrystEngComm","2006","8","5","417","","10.1039/b601889k","","","0.71073","MoKα","","0.1016","0.0529","","","0.1141","0.1364","","","","","","1.012","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203305","6.121","0.002","7.073","0.003","45.3","0.02","90","","90","","90","","1961.2","1.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H27 N O3 -","- C21 H27 N O3 -","- C84 H108 N4 O12 -","4","1","","Xia, Wujiong; Yang, Chao; Scheffer, John R.; Patrick, Brian O.","Engineering acyclic alkyl aryl ketones for enantioselective Norrish/Yang type II photochemistry in the crystalline state","CrystEngComm","2006","8","5","388","","10.1039/b601903j","","","0.71073","MoKα","","0.1562","0.1381","","","0.3567","0.3664","","","","","","1.426","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203306","9.4944","0.0002","10.6542","0.0003","12.8614","0.0003","90","","90","","90","","1301","0.05","173","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 N O -","- C15 H19 N O -","- C60 H76 N4 O4 -","4","1","","Xia, Wujiong; Yang, Chao; Scheffer, John R.; Patrick, Brian O.","Engineering acyclic alkyl aryl ketones for enantioselective Norrish/Yang type II photochemistry in the crystalline state","CrystEngComm","2006","8","5","388","","10.1039/b601903j","","","0.71073","MoKα","","0.0681","0.0514","","","0.1243","0.1303","","","","","","1.126","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203307","6.2453","0.0006","10.1233","0.001","16.8774","0.0017","93.037","0.002","92.521","0.002","90.826","0.002","1064.36","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","2,4,6-tris(2-chloro-3-pyridyloxy)-1,3,5-triazine, acetylacetone","2,4,6-tris(2-chloro-3-pyridyloxy)-1,3,5-triazine, acetylacetone","","- C19.25 H11 Cl3 N6 O3.5 -","- C18 H9 Cl3 N6 O3 -","- C36 H18 Cl6 N12 O6 -","2","1","","Saha, Binoy K.; Nangia, Ashwini","Self-assembled organic tubular host for van der Waals guest inclusion","CrystEngComm","2006","8","6","440","","10.1039/b602000n","","","0.71073","MoKα","","0.0551","0.0429","","","0.0987","0.1027","","","","","","1.059","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203308","6.2482","0.0007","10.1684","0.0012","16.8235","0.0019","86.796","0.002","87.072","0.002","89.309","0.002","1065.8","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","2,4,6-tris(2-chloro-3-pyridyloxy)-1,3,5-triazine, acetone","2,4,6-tris(2-chloro-3-pyridyloxy)-1,3,5-triazine, acetone","","- C19.59 H12.18 Cl3 N6 O3.53 -","- C18 H9 Cl3 N6 O3 -","- C36 H18 Cl6 N12 O6 -","2","1","","Saha, Binoy K.; Nangia, Ashwini","Self-assembled organic tubular host for van der Waals guest inclusion","CrystEngComm","2006","8","6","440","","10.1039/b602000n","","","0.71073","MoKα","","0.0526","0.042","","","0.0975","0.1023","","","","","","1.045","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203309","6.2474","0.0013","10.134","0.002","16.828","0.004","93.843","0.003","92.715","0.003","90.321","0.003","1061.8","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","2,4,6-tris(2-chloro-3-pyridyloxy)-1,3,5-triazine, ethylacetate","2,4,6-tris(2-chloro-3-pyridyloxy)-1,3,5-triazine, ethylacetate","","- C19.52 H12.04 Cl3 N6 O3.76 -","- C18 H9 Cl3 N6 O3 -","- C36 H18 Cl6 N12 O6 -","2","1","","Saha, Binoy K.; Nangia, Ashwini","Self-assembled organic tubular host for van der Waals guest inclusion","CrystEngComm","2006","8","6","440","","10.1039/b602000n","","","0.71073","MoKα","","0.0839","0.0569","","","0.1333","0.1411","","","","","","1.045","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203310","17.249","0.0009","17.249","0.0009","12.0227","0.0012","90","","90","","120","","3097.9","0.4","298","2","298","2","","","","","","","","5","P 63","P 6c","173","2,4,6-tris(2-chloro-3-pyridyloxy)-1,3,5-triazine","2,4,6-tris(2-chloro-3-pyridyloxy)-1,3,5-triazine","","- C18 H9 Cl3 N6 O3 -","- C18 H9 Cl3 N6 O3 -","- C108 H54 Cl18 N36 O18 -","6","1","","Saha, Binoy K.; Nangia, Ashwini","Self-assembled organic tubular host for van der Waals guest inclusion","CrystEngComm","2006","8","6","440","","10.1039/b602000n","","","0.71073","MoKα","","0.085","0.0663","","","0.1769","0.191","","","","","","1.036","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203311","6.3045","0.0007","10.1891","0.0011","17.0142","0.0019","93.247","0.002","92.607","0.002","90.35","0.002","1090","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","2,4,6-tris(2-chloro-3-pyridyloxy)-1,3,5-triazine, nitromethane","2,4,6-tris(2-chloro-3-pyridyloxy)-1,3,5-triazine, nitromethane","","- C18.55 H10.65 Cl3 N6.55 O4.1 -","- C18 H9 Cl3 N6 O3 -","- C36 H18 Cl6 N12 O6 -","2","1","","Saha, Binoy K.; Nangia, Ashwini","Self-assembled organic tubular host for van der Waals guest inclusion","CrystEngComm","2006","8","6","440","","10.1039/b602000n","","","0.71073","MoKα","","0.1356","0.0586","","","0.1061","0.1229","","","","","","0.882","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203312","6.2589","0.0005","10.1316","0.0008","16.8663","0.0013","86.024","0.001","87.527","0.001","88.201","0.001","1065.54","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","2, 4, 6-tris(2-chloro-3-pyridinoxy)-1 ,3, 5-triazine, ethylmethylketone","2, 4, 6-tris(2-chloro-3-pyridinoxy)-1 ,3, 5-triazine, ethylmethylketone","","- C20 H13 Cl3 N6 O3.5 -","- C20 H12 Cl3 N6 O3.5 -","- C40 H24 Cl6 N12 O7 -","2","1","","Saha, Binoy K.; Nangia, Ashwini","Self-assembled organic tubular host for van der Waals guest inclusion","CrystEngComm","2006","8","6","440","","10.1039/b602000n","","","0.71073","MoKα","","0.0625","0.0455","","","0.1079","0.1168","","","","","","1.022","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203317","22.29","0.003","8.5089","0.0009","19.112","0.002","90","0.005","107.798","0.012","90","0.005","3451.4","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(tba)(Fe(qdt)2)","","","- C32 H44 Fe N5 S4 -","- C32 H44 Fe N5 S4 -","- C128 H176 Fe4 N20 S16 -","4","0.5","","D. Simão; J. A. Ayllón; S. Rabaça; M. J. Figueira; I. C. Santos; R. T. Henriques; M. Almeida","[Fe(qdt)<small><sub>2</sub></small>]<small><sup>−</sup></small> salts; an undimerised Fe<small><sup>III</sup></small> bisdithiolene complex stabilised by cation interactions","CrystEngComm","2006","8","9","658","","10.1039/b602268e","","","0.71069","MoKα","","0.1572","0.0503","","","0.1169","0.1438","","","","","","0.962","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203318","10.6406","0.0012","11.3943","0.001","15.4041","0.0019","100.228","0.009","91.538","0.008","100.917","0.008","1801.1","0.3","293","2","295","2","","","","","","","","6","P -1","-P 1","2","(Ph)4As(Fe(qdt)2)","","","- C80 H56 As2 Fe2 N8 S8 -","- C80 H56 As2 Fe2 N8 S8 -","- C80 H56 As2 Fe2 N8 S8 -","1","0.5","","D. Simão; J. A. Ayllón; S. Rabaça; M. J. Figueira; I. C. Santos; R. T. Henriques; M. Almeida","[Fe(qdt)<small><sub>2</sub></small>]<small><sup>−</sup></small> salts; an undimerised Fe<small><sup>III</sup></small> bisdithiolene complex stabilised by cation interactions","CrystEngComm","2006","8","9","658","","10.1039/b602268e","","","0.71069","MoKα","","0.1233","0.0537","","","0.0821","0.0945","","","","","","0.949","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203319","19.6228","0.0008","10.4307","0.0004","12.7867","0.0005","90","","90","","90","","2617.18","0.18","123","2","123","2","","","","","","","","4","P n n a","-P 2a 2bc","52","silver(I) 2-methylimidazolate","","","- C22 H26 Ag4 N8 -","- C22 H26 Ag4 N8 -","- C88 H104 Ag16 N32 -","4","0.5","","Huang, Xiao-Chun; Li, Dan; Chen, Xiao-Ming","Solvent-induced supramolecular isomerism in silver(i) 2-methylimidazolate","CrystEngComm","2006","8","4","351","","10.1039/b602465c","","","0.71073","mokα","","0.0274","0.0249","","","0.0642","0.0656","","","","","","1.048","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203320","12.6836","0.0016","19.726","0.002","11.1137","0.0013","90","","101.835","0.003","90","","2721.5","0.5","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 Ag4 N8 -","- C24 H30 Ag4 N8 -","- C96 H120 Ag16 N32 -","4","1","","Huang, Xiao-Chun; Li, Dan; Chen, Xiao-Ming","Solvent-induced supramolecular isomerism in silver(i) 2-methylimidazolate","CrystEngComm","2006","8","4","351","","10.1039/b602465c","","","0.71073","MoKα","","0.0507","0.0423","","","0.1048","0.1094","","","","","","1.047","","","","has coordinates,has disorder","180364","2020-10-21","18:00:00",""
"7203321","7.8906","0.0007","5.9706","0.0005","10.8708","0.0009","90","","92.452","0.001","90","","511.67","0.08","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H5 Ag N2 -","- C4 H5 Ag N2 -","- C16 H20 Ag4 N8 -","4","1","","Huang, Xiao-Chun; Li, Dan; Chen, Xiao-Ming","Solvent-induced supramolecular isomerism in silver(i) 2-methylimidazolate","CrystEngComm","2006","8","4","351","","10.1039/b602465c","","","0.71073","MoKα","","0.0316","0.026","","","0.0506","0.0533","","","","","","1.047","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203322","6.9605","0.0014","7.3662","0.0015","8.6496","0.0017","113.41","0.03","91.97","0.03","98.06","0.03","400.98","0.17","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H10 Cl6 N2 Pd -","- C10 H10 Cl6 N2 Pd -","- C10 H10 Cl6 N2 Pd -","1","0.5","","Fiorenzo Zordan; Guillermo Mínguez Espallargas; Lee Brammer","Unexpected structural homologies involving hydrogen-bonded and halogen-bonded networks in halopyridinium halometallate salts","CrystEngComm","2006","8","5","425","","10.1039/b602518h","","","0.71073","MoKα","","0.0537","0.0512","","","0.1497","0.1518","","","","","","1.163","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203323","3.8783","0.0009","11.217","0.003","12.564","0.003","103.511","0.004","93.34","0.005","99.507","0.004","521.5","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H10 Cl10 Cu3 N2 -","- C10 H10 Cl10 Cu3 N2 -","- C10 H10 Cl10 Cu3 N2 -","1","0.5","","Fiorenzo Zordan; Guillermo Mínguez Espallargas; Lee Brammer","Unexpected structural homologies involving hydrogen-bonded and halogen-bonded networks in halopyridinium halometallate salts","CrystEngComm","2006","8","5","425","","10.1039/b602518h","","","0.71073","MoKα","","0.0822","0.0726","","","0.1985","0.2084","","","","","","1.122","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203324","8.5802","0.001","16.7418","0.0019","7.0007","0.0008","90","","112.504","0.002","90","","929.06","0.19","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Br2 Cl6 N2 Pt -","- C10 H10 Br2 Cl6 N2 Pt -","- C20 H20 Br4 Cl12 N4 Pt2 -","2","0.5","","Fiorenzo Zordan; Guillermo Mínguez Espallargas; Lee Brammer","Unexpected structural homologies involving hydrogen-bonded and halogen-bonded networks in halopyridinium halometallate salts","CrystEngComm","2006","8","5","425","","10.1039/b602518h","","","0.71073","MoKα","","0.0554","0.0508","","","0.1651","0.1685","","","","","","1.137","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203339","7.478","0.001","25.381","0.005","13.776","0.003","90","","90.7","0.02","90","","2614.5","0.8","93.2","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C57 H92 O10 -","- C57 H92 O10 -","- C114 H184 O20 -","2","1","","Nakano, Kazunori; Sada, Kazuki; Aburaya, Kazuaki; Nakagawa, Kenji; Yoswathananont, Nungruethai; Tohnai, Norimitsu; Miyata, Mikiji","Guest-induced inversion of an asymmetric host layer in inclusion crystals of cholic acid","CrystEngComm","2006","8","6","461","","10.1039/b602862d","","","1.5419","CuKα","","","0.0659","","","","0.168","","","","","","1.63","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203340","7.465","0.0001","25.3714","0.0005","13.7625","0.0003","90","","90.605","0.001","90","","2606.44","0.08","93.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C56 H89 Cl O10 -","- C56 H89 Cl O10 -","- C112 H178 Cl2 O20 -","2","1","","Nakano, Kazunori; Sada, Kazuki; Aburaya, Kazuaki; Nakagawa, Kenji; Yoswathananont, Nungruethai; Tohnai, Norimitsu; Miyata, Mikiji","Guest-induced inversion of an asymmetric host layer in inclusion crystals of cholic acid","CrystEngComm","2006","8","6","461","","10.1039/b602862d","","","1.5419","CuKα","","","0.0994","","","","0.2495","","","","","","2.539","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203341","7.463","0.001","25.378","0.003","13.764","0.002","90","","90.63","0.01","90","","2606.7","0.6","93.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C55 H86 Cl2 O10 -","- C55 H86 Cl2 O10 -","- C110 H172 Cl4 O20 -","2","1","","Nakano, Kazunori; Sada, Kazuki; Aburaya, Kazuaki; Nakagawa, Kenji; Yoswathananont, Nungruethai; Tohnai, Norimitsu; Miyata, Mikiji","Guest-induced inversion of an asymmetric host layer in inclusion crystals of cholic acid","CrystEngComm","2006","8","6","461","","10.1039/b602862d","","","1.5419","CuKα","","","0.0826","","","","0.217","","","","","","2.007","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203342","7.453","0.001","25.368","0.004","13.763","0.002","90","","90.51","0.02","90","","2602","0.7","93.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C55 H86 Cl2 O10 -","- C55 H86 Cl2 O10 -","- C110 H172 Cl4 O20 -","2","1","","Nakano, Kazunori; Sada, Kazuki; Aburaya, Kazuaki; Nakagawa, Kenji; Yoswathananont, Nungruethai; Tohnai, Norimitsu; Miyata, Mikiji","Guest-induced inversion of an asymmetric host layer in inclusion crystals of cholic acid","CrystEngComm","2006","8","6","461","","10.1039/b602862d","","","1.5419","CuKα","","","0.0636","","","","0.166","","","","","","1.197","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203343","7.475","0.002","25.385","0.007","13.809","0.004","90","","90.67","0.02","90","","2620.1","1.3","93.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C56 H89 Br O10 -","- C55 H86 Br O10 -","- C110 H172 Br2 O20 -","2","1","","Nakano, Kazunori; Sada, Kazuki; Aburaya, Kazuaki; Nakagawa, Kenji; Yoswathananont, Nungruethai; Tohnai, Norimitsu; Miyata, Mikiji","Guest-induced inversion of an asymmetric host layer in inclusion crystals of cholic acid","CrystEngComm","2006","8","6","461","","10.1039/b602862d","","","1.5419","CuKα","","","0.0924","","","","0.2567","","","","","","2.594","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203344","13.625","0.003","7.745","0.001","15.218","0.003","90","","112.357","0.008","90","","1485.2","0.5","203.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H51 N O5 -","- C32 H51 N O5 -","- C64 H102 N2 O10 -","2","1","","Nakano, Kazunori; Sada, Kazuki; Aburaya, Kazuaki; Nakagawa, Kenji; Yoswathananont, Nungruethai; Tohnai, Norimitsu; Miyata, Mikiji","Guest-induced inversion of an asymmetric host layer in inclusion crystals of cholic acid","CrystEngComm","2006","8","6","461","","10.1039/b602862d","","","1.5418","CuKα","","","0.104","","","","0.2842","","","","","","1.101","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203345","11.9707","0.0009","8.069","0.0005","16.22","0.001","90","","111.245","0.002","90","","1460.24","0.17","198.2","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C33 H52 O5 -","- C33 H52 O5 -","- C66 H104 O10 -","2","1","","Nakano, Kazunori; Sada, Kazuki; Aburaya, Kazuaki; Nakagawa, Kenji; Yoswathananont, Nungruethai; Tohnai, Norimitsu; Miyata, Mikiji","Guest-induced inversion of an asymmetric host layer in inclusion crystals of cholic acid","CrystEngComm","2006","8","6","461","","10.1039/b602862d","","","1.5418","CuKα","","","0.0793","","","","0.1951","","","","","","1.377","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203346","12.078","0.001","8.0989","0.0009","16.226","0.002","90","","111.031","0.006","90","","1481.5","0.3","203.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H49 Cl O5 -","- C24 H40 O5 -","- C48 H80 O10 -","2","1","","Nakano, Kazunori; Sada, Kazuki; Aburaya, Kazuaki; Nakagawa, Kenji; Yoswathananont, Nungruethai; Tohnai, Norimitsu; Miyata, Mikiji","Guest-induced inversion of an asymmetric host layer in inclusion crystals of cholic acid","CrystEngComm","2006","8","6","461","","10.1039/b602862d","","","1.5418","CuKα","","","0.1995","","","","0.4387","","","","","","3.447","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203347","12.083","0.002","8.1351","0.0005","16.265","0.001","90","","111.618","0.006","90","","1486.3","0.3","203.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H46 Cl2 O5 -","- C31 H46 Cl2 O5 -","- C62 H92 Cl4 O10 -","2","1","","Nakano, Kazunori; Sada, Kazuki; Aburaya, Kazuaki; Nakagawa, Kenji; Yoswathananont, Nungruethai; Tohnai, Norimitsu; Miyata, Mikiji","Guest-induced inversion of an asymmetric host layer in inclusion crystals of cholic acid","CrystEngComm","2006","8","6","461","","10.1039/b602862d","","","1.5418","CuKα","","","0.0831","","","","0.2202","","","","","","1.986","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203348","13.3968","0.0005","8.0808","0.0004","14.0372","0.0006","90","","104.763","0.002","90","","1469.46","0.11","296.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H46 Cl2 O5 -","- C31 H46 Cl2 O5 -","- C62 H92 Cl4 O10 -","2","1","","Nakano, Kazunori; Sada, Kazuki; Aburaya, Kazuaki; Nakagawa, Kenji; Yoswathananont, Nungruethai; Tohnai, Norimitsu; Miyata, Mikiji","Guest-induced inversion of an asymmetric host layer in inclusion crystals of cholic acid","CrystEngComm","2006","8","6","461","","10.1039/b602862d","","","1.5418","CuKα","","","0.0798","","","","0.1913","","","","","","1.575","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203349","11.9681","0.0006","8.1491","0.0003","16.3101","0.0007","90","","111.379","0.002","90","","1481.25","0.11","203.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H49 Br O5 -","- C32 H49 Br O5 -","- C64 H98 Br2 O10 -","2","1","","Nakano, Kazunori; Sada, Kazuki; Aburaya, Kazuaki; Nakagawa, Kenji; Yoswathananont, Nungruethai; Tohnai, Norimitsu; Miyata, Mikiji","Guest-induced inversion of an asymmetric host layer in inclusion crystals of cholic acid","CrystEngComm","2006","8","6","461","","10.1039/b602862d","","","1.5418","CuKα","","","0.0592","","","","0.1436","","","","","","1.569","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203350","7.3178","0.0002","25.8105","0.0006","13.6157","0.0003","90","","90.889","0.001","90","","2571.37","0.11","93.2","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C57 H92 O8 -","- C57 H92 O8 -","- C114 H184 O16 -","2","1","","Nakano, Kazunori; Sada, Kazuki; Aburaya, Kazuaki; Nakagawa, Kenji; Yoswathananont, Nungruethai; Tohnai, Norimitsu; Miyata, Mikiji","Guest-induced inversion of an asymmetric host layer in inclusion crystals of cholic acid","CrystEngComm","2006","8","6","461","","10.1039/b602862d","","","1.5419","CuKα","","","0.094","","","","0.2027","","","","","","1.374","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203354","7.4288","0.0008","10.2892","0.0011","22.174","0.002","90","","97.553","0.002","90","","1680.2","0.3","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C38 H62 O5 -","- C38 H62 O5 -","- C76 H124 O10 -","2","1","","Hulme, Ashley T.; Lancaster, Robert W.; Cannon, Hilary F.","Clarification of the crystalline forms of androsterone","CrystEngComm","2006","8","4","309","","10.1039/b602909d","","","0.71073","MoKα","","0.0648","0.053","","","0.1105","0.1168","","","","","","1.084","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203355","9.4045","0.0009","7.9586","0.0008","11.6746","0.0012","90","","111.274","0.002","90","","814.26","0.14","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","Androsterone","Androsterone","","- C19 H30 O2 -","- C19 H30 O2 -","- C38 H60 O4 -","2","1","","Hulme, Ashley T.; Lancaster, Robert W.; Cannon, Hilary F.","Clarification of the crystalline forms of androsterone","CrystEngComm","2006","8","4","309","","10.1039/b602909d","","","0.71073","MoKα","","0.0438","0.041","","","0.1023","0.1049","","","","","","1.043","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203368","23.862","0.002","13.2641","0.0011","12.2213","0.001","90","","116.676","0.003","90","","3456.4","0.5","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","4,6-Dioxo-5,5-diethylenepyrimidine-2-isobutylurea","4,6-Dioxo-5,5-diethylenepyrimidine-2-isobutylurea","","- C15 H21 N4 O3 -","- C15 H21 N4 O3 -","- C120 H168 N32 O24 -","8","1","","Spencer, Elinor C.; Howard, Judith A. K.; Baruah, Pranjal K.; Sanjayan, Gangadhar J.","The solid-state behaviour of 4,6-dioxo-5,5-diethylenepyrimidine-2-isobutylurea","CrystEngComm","2006","8","6","468","","10.1039/b603252d","","","0.71073","MoKα","","0.1386","0.094","","","0.2791","0.3113","","","","","","1.043","","","","has coordinates,has disorder","180364","2020-10-21","18:00:00",""
"7203369","13.6097","0.0005","14.203","0.0005","17.5902","0.0006","91.32","0.002","95.043","0.002","98.854","0.002","3344.3","0.2","180","2","180","2","","","","","","","","4","P -1","-P 1","2","4,6-Dioxo-5,5-diethylenepyrimidine-2-isobutylurea","4,6-Dioxo-5,5-diethylenepyrimidine-2-isobutylurea","","- C15 H22 N4 O3 -","- C15 H22 N4 O3 -","- C120 H176 N32 O24 -","8","4","","Spencer, Elinor C.; Howard, Judith A. K.; Baruah, Pranjal K.; Sanjayan, Gangadhar J.","The solid-state behaviour of 4,6-dioxo-5,5-diethylenepyrimidine-2-isobutylurea","CrystEngComm","2006","8","6","468","","10.1039/b603252d","","","0.71073","MoKα","","0.1063","0.0626","","","0.1558","0.1739","","","","","","1.025","","","","has coordinates,has disorder","180364","2020-10-21","18:00:00",""
"7203370","12.067","0.0006","13.866","0.0007","17.6218","0.0009","73.608","0.002","71.557","0.002","66.84","0.002","2529.2","0.2","180","2","180","2","","","","","","","","4","P -1","-P 1","2","4,6-Dioxo-5,5-diethylenepyrimidine-2-isobutylurea","4,6-Dioxo-5,5-diethylenepyrimidine-2-isobutylurea","","- C15 H21.67 N4 O3 -","- C15 H21.6667 N4 O3 -","- C90 H130 N24 O18 -","6","3","","Spencer, Elinor C.; Howard, Judith A. K.; Baruah, Pranjal K.; Sanjayan, Gangadhar J.","The solid-state behaviour of 4,6-dioxo-5,5-diethylenepyrimidine-2-isobutylurea","CrystEngComm","2006","8","6","468","","10.1039/b603252d","","","0.71073","MoKα","","0.1709","0.0669","","","0.1472","0.1811","","","","","","0.946","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7203371","10.276","0.003","9.891","0.002","13.244","0.003","90","","90.573","0.005","90","","1346.1","0.6","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 Cu N2 O4 -","- C12 H18 Cu N2 O4 -","- C48 H72 Cu4 N8 O16 -","4","1","","Hawxwell, Samuel M.; Brammer, Lee","Solvent hydrolysis leads to an unusual Cu(ii) metal‒organic framework","CrystEngComm","2006","8","6","473","","10.1039/b603274e","","","0.71073","MoKα","","0.1087","0.0651","","","0.1883","0.2191","","","","","","1.061","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203372","12.8991","0.0012","9.7403","0.0009","18.2827","0.0018","90","","108.577","0.006","90","","2177.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 N4 O18 Zn3 -","- C36 H44 N4 O18 Zn3 -","- C72 H88 N8 O36 Zn6 -","2","0.5","","Hawxwell, Samuel M.; Brammer, Lee","Solvent hydrolysis leads to an unusual Cu(ii) metal‒organic framework","CrystEngComm","2006","8","6","473","","10.1039/b603274e","","","0.846","synchrotron","","0.142","0.0668","","","0.1273","0.1451","","","","","","0.83","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203373","11.0874","0.0018","9.5068","0.0015","13.959","0.002","90","","105.835","0.003","90","","1415.5","0.4","359","2","359","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1,8-dipyridylnaphthalene form I","1,8-dipyridylnaphthalene form I","","- C20 H14 N2 -","- C20 H14 N2 -","- C80 H56 N8 -","4","1","","Mei, Xuefeng; Wolf, Christian","Conformational polymorphism of 1,8-dipyridylnaphthalene and encapsulation of chains of fused cyclic water pentamers in a hydrophobic crystal environment","CrystEngComm","2006","8","5","377","","10.1039/b603306g","","","0.71073","MoKα","","0.0879","0.0487","","","0.1081","0.1189","","","","","","1.052","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203374","8.297","0.0015","9.4627","0.0017","10.316","0.0018","79.87","0.003","73.067","0.003","65.092","0.003","701.4","0.2","173","2","173","2","","","","","","","","3","P -1","-P 1","2","1,8-dipyridylnaphthalene-form II","1,8-dipyridylnaphthalene-form II","","- C20 H14 N2 -","- C20 H14 N2 -","- C40 H28 N4 -","2","1","","Mei, Xuefeng; Wolf, Christian","Conformational polymorphism of 1,8-dipyridylnaphthalene and encapsulation of chains of fused cyclic water pentamers in a hydrophobic crystal environment","CrystEngComm","2006","8","5","377","","10.1039/b603306g","","","0.71073","MoKα","","0.0541","0.043","","","0.1058","0.1109","","","","","","1.032","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203375","13.356","0.003","6.92","0.0015","19.596","0.004","90","","106.203","0.004","90","","1739.2","0.6","187","2","187","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1,8-dipyridylnaphthalene-3H2O","1,8-dipyridylnaphthalene-3H2O","","- C20 H20 N2 O3 -","- C20 H20 N2 O3 -","- C80 H80 N8 O12 -","4","1","","Mei, Xuefeng; Wolf, Christian","Conformational polymorphism of 1,8-dipyridylnaphthalene and encapsulation of chains of fused cyclic water pentamers in a hydrophobic crystal environment","CrystEngComm","2006","8","5","377","","10.1039/b603306g","","","0.71073","MoKα","","0.1007","0.0502","","","0.1226","0.1368","","","","","","1.001","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203376","6.8515","0.0003","8.852","0.0006","10.5293","0.0007","80.655","0.006","75.043","0.004","70.363","0.004","579.07","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H10 Cu Li2 O11 -","- C6 H10 Cu Li2 O11 -","- C12 H20 Cu2 Li4 O22 -","2","1","","Fernando S. Delgado; Catalina Ruiz-Pérez; Joaquín Sanchiz; Francesc Lloret; Miguel Julve","Versatile supramolecular self-assembly. Part I. Network formation and magnetic behaviour of the alkaline salts of the bis(malonate)cuprate(<small>II</small>) anion","CrystEngComm","2006","8","7","507","","10.1039/b603374a","","x-ray","0.71073","Mokα","","0.0234","0.0199","","","0.0501","0.0517","","","","","","1.114","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203377","6.827","0.001","9.517","0.002","16.406","0.003","90","","90","","90","","1065.9","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H8 Cu Na2 O10 -","- C6 H8 Cu Na2 O10 -","- C24 H32 Cu4 Na8 O40 -","4","0.5","","Fernando S. Delgado; Catalina Ruiz-Pérez; Joaquín Sanchiz; Francesc Lloret; Miguel Julve","Versatile supramolecular self-assembly. Part I. Network formation and magnetic behaviour of the alkaline salts of the bis(malonate)cuprate(<small>II</small>) anion","CrystEngComm","2006","8","7","507","","10.1039/b603374a","","","0.71069","MoKα","","0.0684","0.0368","","","0.074","0.0851","","","","","","1.092","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203378","7.3985","0.0007","18.83","0.002","9.3201","0.0009","90","","90","","90","","1298.4","0.2","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C6 H10 Cu K2 O11 -","- C6 H4 Cu K2 O11 -","- C24 H16 Cu4 K8 O44 -","4","0.5","","Fernando S. Delgado; Catalina Ruiz-Pérez; Joaquín Sanchiz; Francesc Lloret; Miguel Julve","Versatile supramolecular self-assembly. Part I. Network formation and magnetic behaviour of the alkaline salts of the bis(malonate)cuprate(<small>II</small>) anion","CrystEngComm","2006","8","7","507","","10.1039/b603374a","","","0.71069","MoKα","","0.059","0.0341","","","0.0889","0.0981","","","","","","1.076","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203379","7.2224","0.0006","9.4647","0.0005","17.017","0.002","90","","90","","90","","1163.25","0.18","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H6 Cu O9 Rb2 -","- C6 H4 Cu O9 Rb2 -","- C24 H16 Cu4 O36 Rb8 -","4","1","","Fernando S. Delgado; Catalina Ruiz-Pérez; Joaquín Sanchiz; Francesc Lloret; Miguel Julve","Versatile supramolecular self-assembly. Part I. Network formation and magnetic behaviour of the alkaline salts of the bis(malonate)cuprate(<small>II</small>) anion","CrystEngComm","2006","8","7","507","","10.1039/b603374a","","x-ray","0.71073","Mokα","","0.0867","0.0498","","","0.0936","0.1037","","","","","","1.034","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203380","7.1166","0.0006","7.1316","0.0009","7.5211","0.0006","87.334","0.008","79.428","0.007","86.698","0.008","374.36","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C3 H8 Cs Cu O6 -","- C3 H2 Cs Cu0.5 O6 -","- C6 H4 Cs2 Cu O12 -","2","1","","Fernando S. Delgado; Catalina Ruiz-Pérez; Joaquín Sanchiz; Francesc Lloret; Miguel Julve","Versatile supramolecular self-assembly. Part I. Network formation and magnetic behaviour of the alkaline salts of the bis(malonate)cuprate(<small>II</small>) anion","CrystEngComm","2006","8","7","507","","10.1039/b603374a","","","0.71069","MoKα","","0.0336","0.0287","","","0.0767","0.079","","","","","","1.091","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203389","9.5012","0.0006","18.1017","0.0012","21.8277","0.0014","70.056","0.001","82.32","0.001","83.134","0.001","3486.3","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","2*(methylpyrogall(4)arene)1*(1,3-bis(3-pyridylmethyl)-2- thiourea)1*(SO4 2-)1*H2O clathrate","2*(methylpyrogall[4]arene)1*(1,3-bis(3-pyridylmethyl)-2-thiourea)1*(SO4 2-)1*H2O clathrate","","- C77 H82 N4 O29 S2 -","- C77 H82 N4 O29 S2 -","- C154 H164 N8 O58 S4 -","2","1","","Brown, Philip O.; Enright, Gary D.; Ripmeester, John A.","Resorcinarene configuration and inclusion behaviour: Isolation of a guest free form of pyrogall[4]arene","CrystEngComm","2006","8","5","381","","10.1039/b603883b","","","0.71073","MoKα","","0.1249","0.0508","","","0.0866","0.1039","","","","","","0.887","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7203390","8.8592","0.0017","9.3271","0.0018","9.4416","0.0018","106.968","0.004","104.65","0.004","104.616","0.004","675.6","0.2","173","2","173","2","","","","","","","","3","P -1","-P 1","2","rctt-methylpyrogall(4)arene","rctt-methylpyrogall[4]arene","","- C16 H16 O6 -","- C16 H16 O6 -","- C32 H32 O12 -","2","1","","Brown, Philip O.; Enright, Gary D.; Ripmeester, John A.","Resorcinarene configuration and inclusion behaviour: Isolation of a guest free form of pyrogall[4]arene","CrystEngComm","2006","8","5","381","","10.1039/b603883b","","","0.71073","MoKα","","0.0706","0.0465","","","0.1174","0.1286","","","","","","0.996","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203391","9.544","0.003","9.588","0.003","9.915","0.003","86.554","0.005","68.376","0.005","63.175","0.005","746.5","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C5 H9 N3 O3 -","- C5 H9 N3 O3 -","- C20 H36 N12 O12 -","4","2","","Braga, Dario; Cadoni, Marcella; Grepioni, Fabrizia; Maini, Lucia; Rubini, Katia","Gas?solid reactions between the different polymorphic modifications of barbituric acid and amines","CrystEngComm","2006","8","10","756","","10.1039/b603910c","","","0.71073","MoKα","","0.1752","0.0917","","","0.3044","0.3479","","","","","","1.044","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203392","14.023","0.009","12.02","0.02","9.949","0.005","90","","90","","90","","1677","3","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C6 H11 N3 O3 -","- C6 H11 N3 O3 -","- C48 H88 N24 O24 -","8","1","","Braga, Dario; Cadoni, Marcella; Grepioni, Fabrizia; Maini, Lucia; Rubini, Katia","Gas?solid reactions between the different polymorphic modifications of barbituric acid and amines","CrystEngComm","2006","8","10","756","","10.1039/b603910c","","","0.71073","MoKα","","0.1003","0.0617","","","0.1416","0.1661","","","","","","0.996","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203393","10.713","0.003","3.858","0.002","14.347","0.005","90","","96.15","0.03","90","","589.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H7 N3 O3 -","- C4 H7 N3 O3 -","- C16 H28 N12 O12 -","4","1","","Braga, Dario; Cadoni, Marcella; Grepioni, Fabrizia; Maini, Lucia; Rubini, Katia","Gas?solid reactions between the different polymorphic modifications of barbituric acid and amines","CrystEngComm","2006","8","10","756","","10.1039/b603910c","","","0.71073","MoKα","","0.0751","0.0389","","","0.0974","0.1145","","","","","","1.031","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203395","12.874","0.008","6.713","0.004","20.311","0.013","90","","94.651","0.01","90","","1749.6","1.9","90","0.2","90","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1-(4-fluorophenyl)-6, 6-dimethyl-2-phenyl-1, 5, 6, 7- tetrahydro-4H-indol-4-one","1-(4-fluorophenyl)-6, 6-dimethyl-2-phenyl-1, 5, 6, 7-tetrahydro-4H-indol-4-one","","- C22 H20 F N O -","- C22 H20 F N O -","- C88 H80 F4 N4 O4 -","4","1","","Choudhury, Angshuman R.; Nagarajan, Kuppuswamy; Guru Row, Tayur N.","Solvent mediated centric/non-centric polymorph pairs of an indole derivative: Subtle variation of C‒H⋯O hydrogen bonds and C‒H⋯π interactions","CrystEngComm","2006","8","6","482","","10.1039/b604118c","","","0.71073","MoKα","","0.0457","0.0391","","","0.1214","0.128","","","","","","1.033","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203396","7.892","0.005","10.861","0.006","10.786","0.006","90","","109.986","0.008","90","","868.8","0.9","90","2","90","2","","","","","","","","5","P 1 21 1","P 2yb","4","1-(4-fluorophenyl)-6, 6-dimethyl-2-phenyl-1, 5, 6, 7- tetrahydro-4H-indol-4-one","1-(4-fluorophenyl)-6, 6-dimethyl-2-phenyl-1, 5, 6, 7-tetrahydro-4H-indol-4-one","","- C22 H20 F N O -","- C22 H20 F N O -","- C44 H40 F2 N2 O2 -","2","1","","Choudhury, Angshuman R.; Nagarajan, Kuppuswamy; Guru Row, Tayur N.","Solvent mediated centric/non-centric polymorph pairs of an indole derivative: Subtle variation of C‒H⋯O hydrogen bonds and C‒H⋯π interactions","CrystEngComm","2006","8","6","482","","10.1039/b604118c","","","0.71073","MoKα","","0.0283","0.0274","","","0.0723","0.0729","","","","","","1.034","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203397","10.5513","0.0019","15.868","0.002","10.5844","0.0019","90","","100.578","0.006","90","","1742","0.5","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H49 Cl3 N6 -","- C35 H49 Cl3 N6 -","- C70 H98 Cl6 N12 -","2","1","","Bates, Gareth W.; Kostermans, Maarten; Dehaen, Wim; Gale, Philip A.; Light, Mark E.","Organic salt inclusion: the first crystal structures of anion complexes of N-confused calix[4]pyrrole","CrystEngComm","2006","8","6","444","","10.1039/b604128k","","","0.71073","MoKα","","0.1819","0.0932","","","0.1866","0.2228","","","","","","1.019","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203398","10.586","0.0011","15.88","0.0017","21.868","0.002","90","","94.452","0.002","90","","3665","0.6","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H53 Cl3 N6 -","- C37 H53 Cl3 N6 -","- C148 H212 Cl12 N24 -","4","1","","Bates, Gareth W.; Kostermans, Maarten; Dehaen, Wim; Gale, Philip A.; Light, Mark E.","Organic salt inclusion: the first crystal structures of anion complexes of N-confused calix[4]pyrrole","CrystEngComm","2006","8","6","444","","10.1039/b604128k","","","0.6709","synchrotron","","0.1131","0.0813","","","0.1776","0.1925","","","","","","1.05","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203404","13.8481","0.0003","16.4536","0.0002","9.1071","0.0002","90","","90","","90","","2075.06","0.07","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C6 H12 Cu N2 O8 -","- C6 H12 Cu N2 O8 -","- C48 H96 Cu8 N16 O64 -","8","0.5","","Fernando S. Delgado; Catalina Ruiz-Pérez; Joaquín Sanchiz; Francesc Lloret; Miguel Julve","Part II. Network formation and magnetic behaviour of copper(<small>II</small>) malonate anions in ammonium derivatives","CrystEngComm","2006","8","7","530","","10.1039/b604573a","","x-ray","0.71073","Mokα","","0.0244","0.0197","","","0.0479","0.0491","","","","","","1.073","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7203405","8.6866","0.0002","9.0585","0.0003","8.9681","0.0003","90","","115.198","0.002","90","","638.53","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H16 Cu N2 O8 -","- C8 H16 Cu N2 O8 -","- C16 H32 Cu2 N4 O16 -","2","0.5","","Fernando S. Delgado; Catalina Ruiz-Pérez; Joaquín Sanchiz; Francesc Lloret; Miguel Julve","Part II. Network formation and magnetic behaviour of copper(<small>II</small>) malonate anions in ammonium derivatives","CrystEngComm","2006","8","7","530","","10.1039/b604573a","","x-ray","0.71073","Mokα","","0.0298","0.0228","","","0.0594","0.062","","","","","","1.104","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203406","11.67","0.002","8.408","0.002","15.323","0.003","90","","93.38","0.03","90","","1500.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H20 Cu N2 O11 -","- C8 H14 Cu N2 O11 -","- C32 H56 Cu4 N8 O44 -","4","1","","Fernando S. Delgado; Catalina Ruiz-Pérez; Joaquín Sanchiz; Francesc Lloret; Miguel Julve","Part II. Network formation and magnetic behaviour of copper(<small>II</small>) malonate anions in ammonium derivatives","CrystEngComm","2006","8","7","530","","10.1039/b604573a","","x-ray","0.71073","Mokα","","0.0484","0.0392","","","0.1018","0.1081","","","","","","1.094","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203407","8.268","0.0004","16.9351","0.0009","9.4736","0.0005","90","0.005","90","0.004","90","0.004","1326.49","0.12","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C9 H16 Cu N2 O8 -","- C9 H16 Cu N2 O8 -","- C36 H64 Cu4 N8 O32 -","4","0.5","","Fernando S. Delgado; Catalina Ruiz-Pérez; Joaquín Sanchiz; Francesc Lloret; Miguel Julve","Part II. Network formation and magnetic behaviour of copper(<small>II</small>) malonate anions in ammonium derivatives","CrystEngComm","2006","8","7","530","","10.1039/b604573a","","x-ray","0.71073","Mokα","","0.0581","0.0426","","","0.0905","0.096","","","","","","1.106","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203408","7.3346","0.0003","13.6142","0.0003","7.9365","0.0003","90","","97.519","0.003","90","","785.68","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H22 Cu N2 O10 -","- C10 H18 Cu N2 O10 -","- C20 H36 Cu2 N4 O20 -","2","1","","Fernando S. Delgado; Catalina Ruiz-Pérez; Joaquín Sanchiz; Francesc Lloret; Miguel Julve","Part II. Network formation and magnetic behaviour of copper(<small>II</small>) malonate anions in ammonium derivatives","CrystEngComm","2006","8","7","530","","10.1039/b604573a","","x-ray","0.71073","Mokα","","0.0504","0.0367","","","0.0786","0.0829","","","","","","1.046","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203409","13.6559","0.0018","16.4436","0.0009","9.0876","0.0009","90","","90","","90","","2040.6","0.4","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C6 H12 Cu N2 O8 -","- C6 H12 Cu N2 O8 -","- C48 H96 Cu8 N16 O64 -","8","0.5","","Fernando S. Delgado; Catalina Ruiz-Pérez; Joaquín Sanchiz; Francesc Lloret; Miguel Julve","Part II. Network formation and magnetic behaviour of copper(<small>II</small>) malonate anions in ammonium derivatives","CrystEngComm","2006","8","7","530","","10.1039/b604573a","","x-ray","0.71073","Mokα","","0.0261","0.0226","","","0.0499","0.0508","","","","","","1.08","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7203416","7.776","0.0008","11.0545","0.0011","56.587","0.006","90","","90","","90","","4864.2","0.9","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","distrychninium N-4-nitrobenzoyl-D-glutamate tetrahydrate","","- C54 H64 N6 O15 -","- C54 H64 N6 O15 -","- C216 H256 N24 O60 -","4","1","","Agata Białońska; Zbigniew Ciunik","Hydrophilic and hydrophobic pockets at surfaces of strychninium self-assemblies in pseudopolymorphous crystals of strychninium salts","CrystEngComm","2006","8","8","640","","10.1039/b605203g","","","1.5418","CuKα","","0.0796","0.0633","","","0.1539","0.1689","","","","","","1.001","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203417","13.3317","0.0003","23.5623","0.0003","29.911","0.0006","90","","93.319","0.001","90","","9380","0.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Compound CS121","","","- C12 H105 Mo12 N36 Na O73 P8 -","- C12 H76 Mo12 N36 Na O72.7 P8 -","- C48 H304 Mo48 N144 Na4 O290.8 P32 -","4","1","","Streb, Carsten; Long, De-Liang; Cronin, Leroy","Influence of organic amines on the self-assembly of hybrid polyoxo-molybdenum(v) phosphate frameworks","CrystEngComm","2006","8","8","629","","10.1039/b605285a","","","0.71073","MoKα","","0.0814","0.0436","","","0.0977","0.1096","","","","","","1.035","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203418","16.9408","0.0004","17.8534","0.0002","26.8981","0.0005","95.992","0.001","90.013","0.001","113.569","0.001","7408.1","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","Compound CS120","","","- C56 H119 Mo12 N42 Na O75 P8 -","- C56 H58 Mo12 N42 Na O74 P8 -","- C112 H116 Mo24 N84 Na2 O148 P16 -","2","1","","Streb, Carsten; Long, De-Liang; Cronin, Leroy","Influence of organic amines on the self-assembly of hybrid polyoxo-molybdenum(v) phosphate frameworks","CrystEngComm","2006","8","8","629","","10.1039/b605285a","","","0.71073","MoKα","","0.1025","0.0787","","","0.2098","0.2252","","","","","","1.05","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203419","13.4228","0.0002","13.4215","0.0003","14.7383","0.0003","98.443","0.001","104.914","0.001","119.049","0.001","2123.7","0.08","150","2","150","2","","","","","","","","7","P -1","-P 1","2","Compound CS107","","","- C12 H105 Mo12 N12 Na3 O80 P8 -","- C12 Mo12 N12 Na3 O80 P8 -","- C12 Mo12 N12 Na3 O80 P8 -","1","0.5","","Streb, Carsten; Long, De-Liang; Cronin, Leroy","Influence of organic amines on the self-assembly of hybrid polyoxo-molybdenum(v) phosphate frameworks","CrystEngComm","2006","8","8","629","","10.1039/b605285a","","","0.71073","MoKα","","0.0384","0.0336","","","0.0819","0.0841","","","","","","1.074","","","","has coordinates,has disorder","180365","2020-10-21","18:00:00",""
"7203432","11.1587","0.0004","18.9115","0.0007","10.3217","0.0004","90","","109.832","0.001","90","","2048.98","0.13","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-amino-2-methyl-4'-hydroxydiphenyl","4-amino-2-methyl-4'-hydroxydiphenyl","","- C13 H13 N O -","- C13 H13 N O -","- C104 H104 N8 O8 -","8","2","","Dey, Archan; Desiraju, Gautam R.","Dimorphs of 4′-amino-4-hydroxy-2′-methylbiphenyl: Assessment of likelihood of polymorphism in flexible molecules","CrystEngComm","2006","8","6","477","","10.1039/b605751a","","","0.71073","MoKα","","0.0771","0.042","","","0.1027","0.1172","","","","","","1.019","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7203433","11.1587","0.0002","9.5748","0.0002","19.9175","0.0004","90","","96.332","0.001","90","","2115.05","0.07","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-amino-2-methyl-4'-hydroxydiphenyl","","- C13 H13 N O -","- C13 H13 N O -","- C104 H104 N8 O8 -","8","2","","Dey, Archan; Desiraju, Gautam R.","Dimorphs of 4′-amino-4-hydroxy-2′-methylbiphenyl: Assessment of likelihood of polymorphism in flexible molecules","CrystEngComm","2006","8","6","477","","10.1039/b605751a","","","0.71073","MoKα","","0.0805","0.0406","","","0.0984","0.1171","","","","","","0.958","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7203434","8.898","0.003","8.898","0.003","7.679","0.003","90","","90","","90","","608","0.4","293","2","293","2","","","","","","","","6","P -4","P -4","81","","","","- C12 H16 Ca Co2 N4 O16 -","- C12 H16 Ca Co2 N4 O16 -","- C12 H16 Ca Co2 N4 O16 -","1","0.25","","Cédric Borel; Mikael Håkansson; Lars Öhrström","Coordination bonds and strong hydrogen bonds giving a framework material based on a 4- and 8-connected net in [Ca[Co(en)(oxalato)<small><sub>2</sub></small>]<small><sub>2</sub></small>]<small><sub><i>n</i></sub></small>","CrystEngComm","2006","8","9","666","","10.1039/b605762d","","","0.71073","MoKα","","0.0716","0.0685","","","0.178","0.1823","","","","","","1.114","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203435","10.956","0.002","27.56","0.006","31.9","0.006","90","","90","","90","","9632","3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C78 H82 N24 O18 Pr2 Ru3 -","- C78 H46 N24 O18 Pr2 Ru3 -","- C312 H184 N96 O72 Pr8 Ru12 -","4","1","","Baca, Svetlana G.; Adams, Harry; Ward, Michael D.","Three-component coordination networks based on [Ru(phen)(CN)4]2? anions, lanthanide(iii) cations and ancillary oligopyridine ligands","CrystEngComm","2006","8","8","635","","10.1039/b605990m","","","0.71073","MoKα","","0.062","0.0494","","","0.1396","0.1491","","","","","","1.076","","","","has coordinates,has disorder","180365","2020-10-21","18:00:00",""
"7203436","14.273","0.0007","27.8052","0.0014","17.0891","0.0009","90","","101.957","0.002","90","","6634.9","0.6","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C56 H60 K N16 O14 Ru2 Yb -","- C56 H42 K N16 O14 Ru2 Yb -","- C224 H168 K4 N64 O56 Ru8 Yb4 -","4","1","","Baca, Svetlana G.; Adams, Harry; Ward, Michael D.","Three-component coordination networks based on [Ru(phen)(CN)4]2? anions, lanthanide(iii) cations and ancillary oligopyridine ligands","CrystEngComm","2006","8","8","635","","10.1039/b605990m","","","0.71073","MoKα","","0.0864","0.0565","","","0.1558","0.1726","","","","","","1.053","","","","has coordinates,has disorder","180365","2020-10-21","18:00:00",""
"7203437","21.5398","0.0008","26.248","0.0008","17.1392","0.0007","90","","90","","90","","9690.1","0.6","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C39 H51 N12 O14 Pr Ru1.5 -","- C39 H23 N12 O14 Pr Ru1.5 -","- C312 H184 N96 O112 Pr8 Ru12 -","8","1","","Baca, Svetlana G.; Adams, Harry; Ward, Michael D.","Three-component coordination networks based on [Ru(phen)(CN)4]2? anions, lanthanide(iii) cations and ancillary oligopyridine ligands","CrystEngComm","2006","8","8","635","","10.1039/b605990m","","","0.71073","MoKα","","0.1216","0.0797","","","0.1964","0.2167","","","","","","1.102","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7203444","19.045","0.003","16.627","0.002","18.618","0.003","90","","118.047","0.008","90","","5203.2","1.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","hexyl bromo calixarene, acetonitrile","hexyl bromo calixarene, acetonitrile","","- C54 H63 I4 N O8 -","- C54 H63 I4 N O8 -","- C216 H252 I16 N4 O32 -","4","1","","Christer B. Aakeröy; Nate Schultheiss; John Desper","A pyridyl-functionalized cavitand: Starting point for hydrogen-bond driven assembly of heterodimeric capsules","CrystEngComm","2006","8","7","502","","10.1039/b606207e","","","0.71073","MoKα","","0.1","0.0449","","","0.0956","0.12","","","","","","1.013","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203445","25.359","0.002","22.2099","0.0019","12.1129","0.001","90","","90","","90","","6822.2","1","100","2","100","2","","","","","","","","4","P n n a","-P 2a 2bc","52","tetra-(3-pyridyl)ethynyl calixarene","tetra-(3-pyridyl)ethynyl calixarene","","- C82 H83 N5 O10 -","- C82 H83 N5 O10 -","- C328 H332 N20 O40 -","4","0.5","","Christer B. Aakeröy; Nate Schultheiss; John Desper","A pyridyl-functionalized cavitand: Starting point for hydrogen-bond driven assembly of heterodimeric capsules","CrystEngComm","2006","8","7","502","","10.1039/b606207e","","","0.71073","MoKα","","0.0638","0.0558","","","0.1338","0.1401","","","","","","1.076","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203446","18.2204","0.001","19.0609","0.0013","19.287","0.0014","105.18","0.01","113.6","0.01","108.25","0.01","5220.5","1.2","220","2","220","2","","","","","","","","3","P -1","-P 1","2","(4-ethynyl-phenyl)-dimethyl-amine","(4-ethynyl-phenyl)-dimethyl-amine","","- C10 H11 N -","- C10 H11 N -","- C240 H264 N24 -","24","12","","Andrei S. Batsanov; Jonathan C. Collings; Richard M. Ward; Andrés E. Goeta; Laurent Porrès; Andrew Beeby; Judith A. K. Howard; Jonathan W. Steed; Todd B. Marder","Part 2. Structures of 4-trimethylsilylethynyl-<i>N</i>,<i>N</i>-dimethylaniline, and 4-ethynyl-<i>N</i>,<i>N</i>-dimethylaniline with <i>Z</i>′ = 12 and a single-crystal to single-crystal phase transition at 122.5 ± 2 K","CrystEngComm","2006","8","8","622","","10.1039/b606327f","","","0.71073","MoKα","","0.1373","0.0504","","","0.126","0.1664","","","","","","0.877","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203447","17.412","0.001","18.845","0.001","19.252","0.001","105.84","0.01","104.51","0.01","112.99","0.01","5119.4","1","120","2","120","2","","","","","","","","3","P -1","-P 1","2","(4-ethynyl-phenyl)-dimethyl-amine","(4-ethynyl-phenyl)-dimethyl-amine","","- C10 H11 N -","- C10 H11 N -","- C240 H264 N24 -","24","12","","Andrei S. Batsanov; Jonathan C. Collings; Richard M. Ward; Andrés E. Goeta; Laurent Porrès; Andrew Beeby; Judith A. K. Howard; Jonathan W. Steed; Todd B. Marder","Part 2. Structures of 4-trimethylsilylethynyl-<i>N</i>,<i>N</i>-dimethylaniline, and 4-ethynyl-<i>N</i>,<i>N</i>-dimethylaniline with <i>Z</i>′ = 12 and a single-crystal to single-crystal phase transition at 122.5 ± 2 K","CrystEngComm","2006","8","8","622","","10.1039/b606327f","","","0.71073","MoKα","","0.1749","0.0585","","","0.1068","0.1481","","","","","","0.912","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203448","13.015","0.002","9.581","0.003","32.611","0.006","90","","90","","90","","4066.5","1.6","120","2","120","2","","","","","","","","4","P n m a","-P 2ac 2n","62","N,N'-dimethyl-4-((trimethylsilyl)ethynyl)-aniline","N,N'-dimethyl-4-[(trimethylsilyl)ethynyl]-aniline","","- C13 H19 N Si -","- C13 H19 N Si -","- C156 H228 N12 Si12 -","12","1.5","","Andrei S. Batsanov; Jonathan C. Collings; Richard M. Ward; Andrés E. Goeta; Laurent Porrès; Andrew Beeby; Judith A. K. Howard; Jonathan W. Steed; Todd B. Marder","Part 2. Structures of 4-trimethylsilylethynyl-<i>N</i>,<i>N</i>-dimethylaniline, and 4-ethynyl-<i>N</i>,<i>N</i>-dimethylaniline with <i>Z</i>′ = 12 and a single-crystal to single-crystal phase transition at 122.5 ± 2 K","CrystEngComm","2006","8","8","622","","10.1039/b606327f","","","0.71073","MoKα","","0.0506","0.0379","","","0.0952","0.1005","","","","","","1.009","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203449","9.139","0.003","10.665","0.004","14.968","0.006","103.458","0.006","96.406","0.007","97.493","0.007","1391.4","0.9","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H26 Co N6 O2 S2 -","- C27 H26 Co N6 O2 S2 -","- C54 H52 Co2 N12 O4 S4 -","2","1","","Du, Miao; Li, Cheng-Peng; Zhao, Xiao-Jun","Hierarchical regulated assembly of new metallosupramolecular networks based on metal thiocyanate and trans-1-(2-pyridyl)-2-(4-pyridyl)ethylene (bpe)via multiple interactions","CrystEngComm","2006","8","7","552","","10.1039/b606400k","","","0.71073","MoKα","","0.0919","0.0527","","","0.1015","0.1207","","","","","","1.061","","","","has coordinates,has disorder","180365","2020-10-21","18:00:00",""
"7203450","9.0804","0.0012","10.663","0.0013","14.8873","0.0019","103.457","0.002","96.601","0.002","97.377","0.002","1374.5","0.3","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H26 N6 Ni O2 S2 -","- C27 H26 N6 Ni O2 S2 -","- C54 H52 N12 Ni2 O4 S4 -","2","1","","Du, Miao; Li, Cheng-Peng; Zhao, Xiao-Jun","Hierarchical regulated assembly of new metallosupramolecular networks based on metal thiocyanate and trans-1-(2-pyridyl)-2-(4-pyridyl)ethylene (bpe)via multiple interactions","CrystEngComm","2006","8","7","552","","10.1039/b606400k","","","0.71073","MoKα","","0.0678","0.0421","","","0.1028","0.1123","","","","","","1.038","","","","has coordinates,has disorder","180365","2020-10-21","18:00:00",""
"7203451","9.4775","0.0018","13.038","0.003","17.523","0.003","75.595","0.002","75.36","0.002","71.835","0.002","1956.2","0.7","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H68 Cu3 N18 O2 S6 -","- C80 H68 Cu3 N18 O2 S6 -","- C80 H68 Cu3 N18 O2 S6 -","1","0.5","","Du, Miao; Li, Cheng-Peng; Zhao, Xiao-Jun","Hierarchical regulated assembly of new metallosupramolecular networks based on metal thiocyanate and trans-1-(2-pyridyl)-2-(4-pyridyl)ethylene (bpe)via multiple interactions","CrystEngComm","2006","8","7","552","","10.1039/b606400k","","","0.71073","MoKα","","0.0875","0.0485","","","0.1122","0.1305","","","","","","1.029","","","","has coordinates,has disorder","180365","2020-10-21","18:00:00",""
"7203452","9.708","0.003","12.9","0.004","17.142","0.006","71.91","0.005","75.596","0.005","71.955","0.005","1912.4","1.1","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C78 H64 Cu3 N18 O2 S6 -","- C78 H64 Cu3 N18 O2 S6 -","- C78 H64 Cu3 N18 O2 S6 -","1","0.5","","Du, Miao; Li, Cheng-Peng; Zhao, Xiao-Jun","Hierarchical regulated assembly of new metallosupramolecular networks based on metal thiocyanate and trans-1-(2-pyridyl)-2-(4-pyridyl)ethylene (bpe)via multiple interactions","CrystEngComm","2006","8","7","552","","10.1039/b606400k","","","","MoKα","","0.0857","0.0474","","","0.1199","0.1324","","","","","","1.017","","","","has coordinates,has disorder","180365","2020-10-21","18:00:00",""
"7203453","7.845","0.004","10.255","0.004","17.677","0.007","78.625","0.006","83.681","0.006","78.665","0.004","1363.2","1","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H24 Fe N6 O2 S2 -","- C26 H24 Fe N6 O2 S2 -","- C52 H48 Fe2 N12 O4 S4 -","2","1","","Du, Miao; Li, Cheng-Peng; Zhao, Xiao-Jun","Hierarchical regulated assembly of new metallosupramolecular networks based on metal thiocyanate and trans-1-(2-pyridyl)-2-(4-pyridyl)ethylene (bpe)via multiple interactions","CrystEngComm","2006","8","7","552","","10.1039/b606400k","","","0.71073","MoKα","","0.0753","0.0489","","","0.1329","0.1476","","","","","","1.139","","","","has coordinates,has disorder","180365","2020-10-21","18:00:00",""
"7203454","15.976","0.006","7.232","0.003","13.109","0.005","90","","95.374","0.004","90","","1507.9","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 N4 Pb S2 -","- C14 H10 N4 Pb S2 -","- C56 H40 N16 Pb4 S8 -","4","1","","Du, Miao; Li, Cheng-Peng; Zhao, Xiao-Jun","Hierarchical regulated assembly of new metallosupramolecular networks based on metal thiocyanate and trans-1-(2-pyridyl)-2-(4-pyridyl)ethylene (bpe)via multiple interactions","CrystEngComm","2006","8","7","552","","10.1039/b606400k","","","0.71073","MoKα","","0.0597","0.056","","","0.1662","0.1684","","","","","","1.062","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203455","12.7148","0.0008","4.4248","0.0003","11.6928","0.0007","90","","90","","90","","657.84","0.07","293","2","293","2","","","","","","","","5","I m 2 m","I -2 -2","44","","","","- C13 H14 Cl2 Co N2 -","- C13 H14 Cl2 Co N2 -","- C26 H28 Cl4 Co2 N4 -","2","0.25","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Porta, Francesca","New metal?organic frameworks and supramolecular arrays assembled with the bent ditopic ligand 4,4-diaminodiphenylmethane","CrystEngComm","2006","8","9","696","","10.1039/b606482e","","","0.71073","MoKα","","0.0409","0.0264","","0.0437","0.0411","","","","0.93","","","","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203456","13.3881","0.001","4.2929","0.0003","12.2521","0.0009","90","","108.273","0.002","90","","668.67","0.08","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C13 H14 Cd Cl2 N2 -","- C13 H14 Cd Cl2 N2 -","- C26 H28 Cd2 Cl4 N4 -","2","0.5","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Porta, Francesca","New metal?organic frameworks and supramolecular arrays assembled with the bent ditopic ligand 4,4-diaminodiphenylmethane","CrystEngComm","2006","8","9","696","","10.1039/b606482e","","","0.71073","MoKα","","0.023","0.0222","","0.0561","0.0556","","","","1.083","","","","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203457","25.028","0.003","4.4533","0.0005","11.8686","0.0014","90","","90","","90","","1322.8","0.3","293","2","293","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C13 H14 Ag N3 O3 -","- C13 H14 Ag N3 O3 -","- C52 H56 Ag4 N12 O12 -","4","0.5","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Porta, Francesca","New metal?organic frameworks and supramolecular arrays assembled with the bent ditopic ligand 4,4-diaminodiphenylmethane","CrystEngComm","2006","8","9","696","","10.1039/b606482e","","","0.71073","MoKα","","0.0901","0.0897","","0.1402","0.1401","","","","1.401","","","","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203458","12.029","0.003","11.995","0.003","9.153","0.002","90","","91.951","0.006","90","","1319.9","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 Cl2 N4 Ni O2 -","- C26 H32 Cl2 N4 Ni O2 -","- C52 H64 Cl4 N8 Ni2 O4 -","2","0.5","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Porta, Francesca","New metal?organic frameworks and supramolecular arrays assembled with the bent ditopic ligand 4,4-diaminodiphenylmethane","CrystEngComm","2006","8","9","696","","10.1039/b606482e","","","0.71073","MoKα","","0.0593","0.047","","0.1638","0.1516","","","","1.203","","","","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203459","5.66","0.001","9.323","0.003","12.687","0.004","103.6","0.02","93.39","0.02","102.01","0.02","632.3","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H32 Cl2 N4 Ni O2 -","- C26 H32 Cl2 N4 Ni O2 -","- C26 H32 Cl2 N4 Ni O2 -","1","0.5","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Porta, Francesca","New metal?organic frameworks and supramolecular arrays assembled with the bent ditopic ligand 4,4-diaminodiphenylmethane","CrystEngComm","2006","8","9","696","","10.1039/b606482e","","","0.71073","MoKα","","0.1767","0.0619","","0.166","0.135","","","","0.97","","","","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203460","5.6911","0.0007","9.5004","0.0012","12.7455","0.0016","104.059","0.005","92.721","0.005","102.425","0.005","649.19","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H32 Cl2 Mn N4 O2 -","- C26 H32 Cl2 Mn N4 O2 -","- C26 H32 Cl2 Mn N4 O2 -","1","0.5","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Porta, Francesca","New metal?organic frameworks and supramolecular arrays assembled with the bent ditopic ligand 4,4-diaminodiphenylmethane","CrystEngComm","2006","8","9","696","","10.1039/b606482e","","","0.71073","MoKα","","0.0578","0.0385","","0.1084","0.099","","","","1.056","","","","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203461","5.837","0.003","9.424","0.005","13.329","0.005","105.58","0.04","98.08","0.04","105.89","0.04","660.9","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H32 N6 Ni O8 -","- C26 H32 N6 Ni O8 -","- C26 H32 N6 Ni O8 -","1","0.5","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Porta, Francesca","New metal?organic frameworks and supramolecular arrays assembled with the bent ditopic ligand 4,4-diaminodiphenylmethane","CrystEngComm","2006","8","9","696","","10.1039/b606482e","","","0.71073","MoKα","","0.0743","0.0405","","0.1122","0.1012","","","","1.02","","","","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203462","8.678","0.002","12.213","0.003","13.691","0.003","85.497","0.004","77.327","0.004","82.58","0.004","1401.9","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H14 Cd Cl2 N2 -","- C13 H14 Cd Cl2 N2 -","- C52 H56 Cd4 Cl8 N8 -","4","2","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Porta, Francesca","New metal?organic frameworks and supramolecular arrays assembled with the bent ditopic ligand 4,4-diaminodiphenylmethane","CrystEngComm","2006","8","9","696","","10.1039/b606482e","","","0.71073","MoKα","","0.0219","0.0193","","0.0522","0.0509","","","","0.982","","","","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203463","26.216","0.0013","8.7667","0.0005","11.8792","0.0006","90","","91.216","0.002","90","","2729.6","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H14 Cl2 Mn N2 -","- C13 H14 Cl2 Mn N2 -","- C104 H112 Cl16 Mn8 N16 -","8","1","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Porta, Francesca","New metal?organic frameworks and supramolecular arrays assembled with the bent ditopic ligand 4,4-diaminodiphenylmethane","CrystEngComm","2006","8","9","696","","10.1039/b606482e","","","0.71073","MoKα","","0.038","0.0284","","0.0817","0.0757","","","","1.025","","","","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203464","6.4441","0.0012","10.0237","0.0019","12.366","0.002","104.701","0.004","95.868","0.004","94.544","0.004","764","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H14 Cd Cl2 N2 -","- C13 H14 Cd Cl2 N2 -","- C26 H28 Cd2 Cl4 N4 -","2","1","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Porta, Francesca","New metal?organic frameworks and supramolecular arrays assembled with the bent ditopic ligand 4,4-diaminodiphenylmethane","CrystEngComm","2006","8","9","696","","10.1039/b606482e","","","0.71073","MoKα","","0.0449","0.0331","","0.1017","0.0962","","","","1.056","","","","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203465","30.884","0.002","8.1009","0.0006","12.0897","0.0008","90","","99.461","0.001","90","","2983.6","0.4","150","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 Cd3 Cl6 N4 -","- C26 H28 Cd3 Cl6 N4 -","- C104 H112 Cd12 Cl24 N16 -","4","0.5","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Porta, Francesca","New metal?organic frameworks and supramolecular arrays assembled with the bent ditopic ligand 4,4-diaminodiphenylmethane","CrystEngComm","2006","8","9","696","","10.1039/b606482e","","","0.71073","MoKα","","0.0344","0.0309","","0.0965","0.0854","","","","1.351","","","","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203466","18.0645","0.0005","18.0645","0.0005","19.0889","0.0007","90","","90","","120","","5394.7","0.3","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C39 H30 Ag N7 O3 -","- C39 H30 Ag N7 O3 -","- C234 H180 Ag6 N42 O18 -","6","0.166667","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Porta, Francesca","New metal?organic frameworks and supramolecular arrays assembled with the bent ditopic ligand 4,4-diaminodiphenylmethane","CrystEngComm","2006","8","9","696","","10.1039/b606482e","","","0.71073","MoKα","","0.0454","0.0391","","0.1388","0.1288","","","","1.126","","","","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203469","7.6917","0.0015","7.7273","0.0015","20.524","0.004","90","","90","","90","","1219.9","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(S-(beta)-phenethylammonium)trichloroplumbate(ii)","(S-(β)-phenethylammonium)trichloroplumbate(II)","","- C8 H12 Cl3 N Pb -","- C8 H12 Cl3 N Pb -","- C32 H48 Cl12 N4 Pb4 -","4","1","","Billing, David G.; Lemmerer, Andreas","Synthesis and crystal structures of inorganic?organic hybrids incorporating an aromatic amine with a chiral functional group","CrystEngComm","2006","8","9","686","","10.1039/b606987h","","","0.71073","MoKα","","0.0279","0.0254","","","0.0609","0.0619","","","","","","1.049","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203470","7.9199","0.0011","8.1392","0.0011","20.555","0.003","90","","90","","90","","1325","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(S-(beta)-phenethylammonium)tribromoplumbate(ii)","(S-(β)-phenethylammonium)tribromoplumbate(II)","","- C8 H12 Br3 N Pb -","- C8 H12 Br3 N Pb -","- C32 H48 Br12 N4 Pb4 -","4","1","","Billing, David G.; Lemmerer, Andreas","Synthesis and crystal structures of inorganic?organic hybrids incorporating an aromatic amine with a chiral functional group","CrystEngComm","2006","8","9","686","","10.1039/b606987h","","","0.71073","MoKα","","0.0389","0.0295","","","0.0648","0.0675","","","","","","1.011","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203471","8.0814","0.0012","8.6983","0.0013","21.337","0.003","90","","90","","90","","1499.9","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","((R)-beta-phenethylammonium)triiodoplumbate(ii)","((R)-β-phenethylammonium)triiodoplumbate(II)","","- C8 H12 I3 N Pb -","- C8 H12 I3 N Pb -","- C32 H48 I12 N4 Pb4 -","4","1","","Billing, David G.; Lemmerer, Andreas","Synthesis and crystal structures of inorganic?organic hybrids incorporating an aromatic amine with a chiral functional group","CrystEngComm","2006","8","9","686","","10.1039/b606987h","","","0.71073","MoKα","","0.0332","0.0276","","","0.0592","0.0608","","","","","","1.131","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203472","8.095","0.0012","8.7141","0.0013","21.368","0.003","90","","90","","90","","1507.3","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","((R)-beta-phenethylammonium)triiodoplumbate(ii)","((R)-β-phenethylammonium)triiodoplumbate(II)","","- C8 H12 I3 N Pb -","- C8 H12 I3 N Pb -","- C32 H48 I12 N4 Pb4 -","4","1","","Billing, David G.; Lemmerer, Andreas","Synthesis and crystal structures of inorganic?organic hybrids incorporating an aromatic amine with a chiral functional group","CrystEngComm","2006","8","9","686","","10.1039/b606987h","","","0.71073","MoKα","","0.0382","0.0274","","","0.0542","0.0565","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7203473","28.826","0.005","7.812","0.0013","27.055","0.005","90","","92.684","0.004","90","","6085.8","1.8","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","tris((racemic)-beta-phenethylammonium)pentachloroplumbate(ii)","tris((racemic)-β-phenethylammonium)pentachloroplumbate(II)","","- C24 H38 Cl5 N3 O Pb -","- C24 H38 Cl5 N3 O Pb -","- C192 H304 Cl40 N24 O8 Pb8 -","8","1","","Billing, David G.; Lemmerer, Andreas","Synthesis and crystal structures of inorganic?organic hybrids incorporating an aromatic amine with a chiral functional group","CrystEngComm","2006","8","9","686","","10.1039/b606987h","","","0.71073","MoKα","","0.0507","0.0305","","","0.0605","0.0655","","","","","","1.055","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203474","29.171","0.004","8.1095","0.0012","27.656","0.004","90","","92.234","0.003","90","","6537.4","1.6","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","tris((racemic)-beta-phenethylammonium)pentachloroplumbate(ii)","tris((racemic)-β-phenethylammonium)pentachloroplumbate(II)","","- C24 H38 Br5 N3 O Pb -","- C24 H38 Br5 N3 O Pb -","- C192 H304 Br40 N24 O8 Pb8 -","8","1","","Billing, David G.; Lemmerer, Andreas","Synthesis and crystal structures of inorganic?organic hybrids incorporating an aromatic amine with a chiral functional group","CrystEngComm","2006","8","9","686","","10.1039/b606987h","","","0.71073","MoKα","","0.0682","0.0387","","","0.0799","0.0877","","","","","","1.021","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203475","8.868","0.005","9.247","0.005","28.729","0.005","90","","90","","90","","2355.8","1.9","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","bis((R)-beta-phenethylammonium)tetraiodoplumbate(ii)","bis((R)-β-phenethylammonium)tetraiodoplumbate(II)","","- C16 H24 I4 N2 Pb -","- C16 H24 I4 N2 Pb -","- C64 H96 I16 N8 Pb4 -","4","1","","Billing, David G.; Lemmerer, Andreas","Synthesis and crystal structures of inorganic?organic hybrids incorporating an aromatic amine with a chiral functional group","CrystEngComm","2006","8","9","686","","10.1039/b606987h","","","0.71069","MoKα","","0.0481","0.0405","","","0.083","0.0851","","","","","","1.174","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203476","8.8531","0.0017","9.2312","0.0018","28.65","0.006","90","","90","","90","","2341.4","0.8","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","bis((S)-beta-phenethylammonium)tetraiodoplumbate(ii)","bis((S)-β-phenethylammonium)tetraiodoplumbate(II)","","- C16 H24 I4 N2 Pb -","- C16 H24 I4 N2 Pb -","- C64 H96 I16 N8 Pb4 -","4","1","","Billing, David G.; Lemmerer, Andreas","Synthesis and crystal structures of inorganic?organic hybrids incorporating an aromatic amine with a chiral functional group","CrystEngComm","2006","8","9","686","","10.1039/b606987h","","","0.71073","MoKα","","0.0419","0.0316","","","0.0753","0.0776","","","","","","1.077","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203479","7.9664","0.0009","16.5707","0.0018","10.501","0.0011","90","","107.048","0.006","90","","1325.3","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 N2 O10 -","- C30 H26 N2 O10 -","- C60 H52 N4 O20 -","2","0.5","","Barooah, Nilotpal; Sarma, Rupam J.; Baruah, Jubaraj B.","Solid-state hydrogen bonded assembly of N,N?-bis(glycinyl)-pyromellitic diimide with aromatic guests","CrystEngComm","2006","8","8","608","","10.1039/b607323a","","","0.71073","MoKα","","0.0633","0.0423","","","0.1034","0.1148","","","","","","1.04","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203480","7.5128","0.0004","7.8323","0.0005","20.1764","0.0014","94.067","0.004","99.125","0.004","94.832","0.004","1163.75","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H18 N2 O8 -","- C28 H18 N2 O8 -","- C56 H36 N4 O16 -","2","1","","Barooah, Nilotpal; Sarma, Rupam J.; Baruah, Jubaraj B.","Solid-state hydrogen bonded assembly of N,N?-bis(glycinyl)-pyromellitic diimide with aromatic guests","CrystEngComm","2006","8","8","608","","10.1039/b607323a","","","0.71073","MoKα","","0.0687","0.0484","","","0.1236","0.1432","","","","","","1.055","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203481","7.3019","0.0001","8.9102","0.0001","10.784","0.0002","80.311","0.001","77.528","0.001","78.283","0.001","665.083","0.017","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H20 N2 O8 -","- C34 H20 N2 O8 -","- C34 H20 N2 O8 -","1","0.5","","Barooah, Nilotpal; Sarma, Rupam J.; Baruah, Jubaraj B.","Solid-state hydrogen bonded assembly of N,N?-bis(glycinyl)-pyromellitic diimide with aromatic guests","CrystEngComm","2006","8","8","608","","10.1039/b607323a","","","0.71073","MoKα","","0.0642","0.044","","","0.1113","0.1254","","","","","","1.025","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203482","7.7829","0.0005","9.8027","0.0007","15.4096","0.001","97.584","0.005","97.404","0.004","107.85","0.004","1091.26","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H12 N2 O8 S4 -","- C20 H12 N2 O8 S4 -","- C40 H24 N4 O16 S8 -","2","1","","Barooah, Nilotpal; Sarma, Rupam J.; Baruah, Jubaraj B.","Solid-state hydrogen bonded assembly of N,N?-bis(glycinyl)-pyromellitic diimide with aromatic guests","CrystEngComm","2006","8","8","608","","10.1039/b607323a","","","0.71073","MoKα","","0.0824","0.0406","","","0.0885","0.1038","","","","","","1.005","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203483","5.1088","0.0005","5.3102","0.0006","12.3475","0.0015","90.588","0.009","98.023","0.008","95.211","0.008","330.23","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H8 N2 O8 -","- C14 H8 N2 O8 -","- C14 H8 N2 O8 -","1","0.5","","Barooah, Nilotpal; Sarma, Rupam J.; Baruah, Jubaraj B.","Solid-state hydrogen bonded assembly of N,N?-bis(glycinyl)-pyromellitic diimide with aromatic guests","CrystEngComm","2006","8","8","608","","10.1039/b607323a","","","0.71073","MoKα","","0.0428","0.0369","","","0.0944","0.0995","","","","","","1.029","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203484","21.3144","0.0005","21.3144","0.0005","17.3882","0.0008","90","","90","","120","","6841.2","0.4","150","","150","","","","","","","","","7","P -6","P -6","174","","","","- C28 H40 F9 La N3 O20.5 S3 -","- C28 H24 F9 La N3 O20.5 S3 -","- C168 H144 F54 La6 N18 O123 S18 -","6","1","","Masu, Hyuma; Tominaga, Masahide; Katagiri, Kosuke; Kato, Takako; Azumaya, Isao","2-D coordination network of a cyclic amide with a lanthanide metal cation and its columnar stacking","CrystEngComm","2006","8","8","578","","10.1039/b607370k","","","0.71073","MoKα","","0.0771","0.0439","","","0.096","0.1121","","","","","","1.027","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7203485","8.63","0.0001","11.3501","0.0001","11.4308","0.0001","65.221","0.001","89.753","0.001","82.527","0.001","1006.37","0.019","150","","150","","","","","","","","","7","P 1","P 1","1","","","","- C29 H30 F9 N4 O15 S3 Yb -","- C29 H24 F9 N4 O15 S3 Yb -","- C29 H24 F9 N4 O15 S3 Yb -","1","1","","Masu, Hyuma; Tominaga, Masahide; Katagiri, Kosuke; Kato, Takako; Azumaya, Isao","2-D coordination network of a cyclic amide with a lanthanide metal cation and its columnar stacking","CrystEngComm","2006","8","8","578","","10.1039/b607370k","","","0.71073","MoKα","","0.0394","0.0382","","","0.0677","0.0685","","","","","","0.963","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203486","3.744","0.001","6.032","0.001","18.631","0.002","97.66","0.01","92.28","0.01","90.47","0.01","416.64","0.14","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H7 Cl N O3 -","- C8 H7 Cl N O3 -","- C16 H14 Cl2 N2 O6 -","2","1","","Edwards, M. R.; Jones, William; Motherwell, W. D. Samuel","Cocrystal formation of 4-methyl and 4-chlorobenzamide with carboxylic acids: Chloro/methyl interchange and crystal structure","CrystEngComm","2006","8","7","545","","10.1039/b607423e","","","0.71069","MoKα","","0.059","0.044","","0.1227","0.1047","","","","1.051","1.081","1.081","","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203487","5.0843","0.0003","8.3131","0.0005","15.9637","0.0008","77.76","0.003","89.771","0.003","74.353","0.003","633.94","0.06","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H30 Cl2 N2 O6 -","- C24 H30 Cl2 N2 O6 -","- C24 H30 Cl2 N2 O6 -","1","0.5","","Edwards, M. R.; Jones, William; Motherwell, W. D. Samuel","Cocrystal formation of 4-methyl and 4-chlorobenzamide with carboxylic acids: Chloro/methyl interchange and crystal structure","CrystEngComm","2006","8","7","545","","10.1039/b607423e","","","0.71069","MoKα","","0.0732","0.042","","0.1061","0.0941","","","","1.024","1.102","1.102","","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203488","9.2224","0.0004","10.0926","0.0005","10.0772","0.0005","90","","113.116","0.003","90","","862.66","0.07","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 N2 O6 -","- C18 H20 N2 O6 -","- C36 H40 N4 O12 -","2","0.5","","Edwards, M. R.; Jones, William; Motherwell, W. D. Samuel","Cocrystal formation of 4-methyl and 4-chlorobenzamide with carboxylic acids: Chloro/methyl interchange and crystal structure","CrystEngComm","2006","8","7","545","","10.1039/b607423e","","","0.71069","MoKα","","0.0751","0.0541","","0.1585","0.1436","","","","1.027","1.075","1.075","","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203489","36.856","0.002","5.1674","0.0002","29.4327","0.0018","90","","112.806","0.002","90","","5167.2","0.5","180","2","180","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H36 N2 O6 -","- C26 H36 N2 O6 -","- C208 H288 N16 O48 -","8","1","","Edwards, M. R.; Jones, William; Motherwell, W. D. Samuel","Cocrystal formation of 4-methyl and 4-chlorobenzamide with carboxylic acids: Chloro/methyl interchange and crystal structure","CrystEngComm","2006","8","7","545","","10.1039/b607423e","","","0.71069","MoKα","","0.1736","0.0589","","","0.1184","0.1565","","","","","","0.925","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203490","6.0884","0.0016","17.675","0.004","19.404","0.004","90","","90","","90","","2088.1","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O3 -","- C23 H31 N O3 -","- C92 H124 N4 O12 -","4","1","","Ilona Turowska-Tyrk; Julia Bąkowicz; John R. Scheffer; Wujiong Xia","Monitoring reaction centers and molecules during an enantioselective photoreaction in a crystal","CrystEngComm","2006","8","8","616","","10.1039/b607425a","","","0.71073","MoKα","","0.0534","0.0404","","","0.0916","0.1007","","","","","","1.092","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203491","6.0982","0.0014","17.667","0.004","19.405","0.004","90","","90","","90","","2090.6","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O3 -","- C23 H31 N O3 -","- C92 H124 N4 O12 -","4","1","","Ilona Turowska-Tyrk; Julia Bąkowicz; John R. Scheffer; Wujiong Xia","Monitoring reaction centers and molecules during an enantioselective photoreaction in a crystal","CrystEngComm","2006","8","8","616","","10.1039/b607425a","","","0.71073","MoKα","","0.049","0.039","","","0.1016","0.1097","","","","","","1.039","","","","has coordinates,has disorder","180365","2020-10-21","18:00:00",""
"7203492","6.1046","0.0013","17.656","0.004","19.423","0.004","90","","90","","90","","2093.5","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O3 -","- C23 H31 N O3 -","- C92 H124 N4 O12 -","4","1","","Ilona Turowska-Tyrk; Julia Bąkowicz; John R. Scheffer; Wujiong Xia","Monitoring reaction centers and molecules during an enantioselective photoreaction in a crystal","CrystEngComm","2006","8","8","616","","10.1039/b607425a","","","0.71073","MoKα","","0.0513","0.0405","","","0.1059","0.1136","","","","","","1.022","","","","has coordinates,has disorder","180365","2020-10-21","18:00:00",""
"7203493","6.1154","0.0013","17.642","0.004","19.443","0.004","90","","90","","90","","2097.7","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O3 -","- C23 H31 N O3 -","- C92 H124 N4 O12 -","4","1","","Ilona Turowska-Tyrk; Julia Bąkowicz; John R. Scheffer; Wujiong Xia","Monitoring reaction centers and molecules during an enantioselective photoreaction in a crystal","CrystEngComm","2006","8","8","616","","10.1039/b607425a","","","0.71073","MoKα","","0.0566","0.045","","","0.1222","0.1319","","","","","","1.054","","","","has coordinates,has disorder","180365","2020-10-21","18:00:00",""
"7203494","6.1363","0.0008","17.631","0.002","19.45","0.002","90","","90","","90","","2104.3","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O3 -","- C23 H31 N O3 -","- C92 H124 N4 O12 -","4","1","","Ilona Turowska-Tyrk; Julia Bąkowicz; John R. Scheffer; Wujiong Xia","Monitoring reaction centers and molecules during an enantioselective photoreaction in a crystal","CrystEngComm","2006","8","8","616","","10.1039/b607425a","","","0.71073","MoKα","","0.0779","0.0546","","","0.1446","0.1615","","","","","","0.978","","","","has coordinates,has disorder","180365","2020-10-21","18:00:00",""
"7203495","6.1416","0.001","17.622","0.003","19.468","0.003","90","","90","","90","","2107","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O3 -","- C23 H31 N O3 -","- C92 H124 N4 O12 -","4","1","","Ilona Turowska-Tyrk; Julia Bąkowicz; John R. Scheffer; Wujiong Xia","Monitoring reaction centers and molecules during an enantioselective photoreaction in a crystal","CrystEngComm","2006","8","8","616","","10.1039/b607425a","","","0.71073","MoKα","","0.0908","0.0626","","","0.1743","0.1967","","","","","","1.001","","","","has coordinates,has disorder","180365","2020-10-21","18:00:00",""
"7203496","6.1508","0.0009","17.596","0.002","19.478","0.003","90","","90","","90","","2108.1","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O3 -","- C23 H31 N O3 -","- C92 H124 N4 O12 -","4","1","","Ilona Turowska-Tyrk; Julia Bąkowicz; John R. Scheffer; Wujiong Xia","Monitoring reaction centers and molecules during an enantioselective photoreaction in a crystal","CrystEngComm","2006","8","8","616","","10.1039/b607425a","","","0.71073","MoKα","","0.1046","0.073","","","0.2058","0.2283","","","","","","0.976","","","","has coordinates,has disorder","180365","2020-10-21","18:00:00",""
"7203497","6.1598","0.0009","17.563","0.002","19.5","0.003","90","","90","","90","","2109.6","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O3 -","- C23 H31 N O3 -","- C92 H124 N4 O12 -","4","1","","Ilona Turowska-Tyrk; Julia Bąkowicz; John R. Scheffer; Wujiong Xia","Monitoring reaction centers and molecules during an enantioselective photoreaction in a crystal","CrystEngComm","2006","8","8","616","","10.1039/b607425a","","","0.71073","MoKα","","0.1242","0.0872","","","0.2509","0.2781","","","","","","0.994","","","","has coordinates,has disorder","180365","2020-10-21","18:00:00",""
"7203498","6.1549","0.0009","17.572","0.002","19.491","0.003","90","","90","","90","","2108","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O3 -","- C23 H31 N O3 -","- C92 H124 N4 O12 -","4","1","","Ilona Turowska-Tyrk; Julia Bąkowicz; John R. Scheffer; Wujiong Xia","Monitoring reaction centers and molecules during an enantioselective photoreaction in a crystal","CrystEngComm","2006","8","8","616","","10.1039/b607425a","","","0.71073","MoKα","","0.1156","0.08","","","0.232","0.2584","","","","","","1.011","","","","has coordinates,has disorder","180365","2020-10-21","18:00:00",""
"7203499","6.1644","0.0009","17.546","0.003","19.52","0.003","90","","90","","90","","2111.3","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O3 -","- C23 H31 N O3 -","- C92 H124 N4 O12 -","4","1","","Ilona Turowska-Tyrk; Julia Bąkowicz; John R. Scheffer; Wujiong Xia","Monitoring reaction centers and molecules during an enantioselective photoreaction in a crystal","CrystEngComm","2006","8","8","616","","10.1039/b607425a","","","0.71073","MoKα","","0.1373","0.0972","","","0.2748","0.3017","","","","","","1.012","","","","has coordinates,has disorder","180365","2020-10-21","18:00:00",""
"7203500","6.1732","0.001","17.519","0.003","19.547","0.003","90","","90","","90","","2114","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O3 -","- C23 H31 N O3 -","- C92 H124 N4 O12 -","4","1","","Ilona Turowska-Tyrk; Julia Bąkowicz; John R. Scheffer; Wujiong Xia","Monitoring reaction centers and molecules during an enantioselective photoreaction in a crystal","CrystEngComm","2006","8","8","616","","10.1039/b607425a","","","0.71073","MoKα","","0.1688","0.1208","","","0.3245","0.3508","","","","","","1.122","","","","has coordinates,has disorder","180366","2020-10-21","18:00:00",""
"7203501","6.1783","0.0012","17.515","0.003","19.569","0.003","90","","90","","90","","2117.6","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O3 -","- C23 H31 N O3 -","- C92 H124 N4 O12 -","4","1","","Ilona Turowska-Tyrk; Julia Bąkowicz; John R. Scheffer; Wujiong Xia","Monitoring reaction centers and molecules during an enantioselective photoreaction in a crystal","CrystEngComm","2006","8","8","616","","10.1039/b607425a","","","0.71073","MoKα","","0.2027","0.1412","","","0.3667","0.3968","","","","","","1.223","","","","has coordinates,has disorder","180366","2020-10-21","18:00:00",""
"7203502","6.1916","0.0013","17.515","0.004","19.583","0.003","90","","90","","90","","2123.7","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O3 -","- C23 H31 N O3 -","- C92 H124 N4 O12 -","4","1","","Ilona Turowska-Tyrk; Julia Bąkowicz; John R. Scheffer; Wujiong Xia","Monitoring reaction centers and molecules during an enantioselective photoreaction in a crystal","CrystEngComm","2006","8","8","616","","10.1039/b607425a","","","0.71073","MoKα","","0.2394","0.163","","","0.4032","0.4348","","","","","","1.268","","","","has coordinates,has disorder","180366","2020-10-21","18:00:00",""
"7203506","32.672","0.008","15.404","0.004","19.582","0.005","90","","92.376","0.004","90","","9847","4","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C112 H180 O4 -","- C112 H180 O4 -","- C448 H720 O16 -","4","1","","Clark, Thomas E.; Makha, Mohamed; Raston, Colin L.; Sobolev, Alexandre N.","Supersized bilayers based on an O-alkyl substituted calix[4]arene","CrystEngComm","2006","8","9","707","","10.1039/b608024c","","","0.71073","MoKα","","0.2321","0.0904","","","0.2391","0.3371","","","","","","1.015","","","","has coordinates,has disorder","180366","2020-10-21","18:00:00",""
"7203507","15.6","0.005","19.664","0.006","33.103","0.01","85.879","0.005","76.899","0.005","87.243","0.005","9859","5","170","2","170","2","","","","","","","","3","P -1","-P 1","2","","","","- C107 H176 O4 -","- C107 H176 O4 -","- C428 H704 O16 -","4","2","","Clark, Thomas E.; Makha, Mohamed; Raston, Colin L.; Sobolev, Alexandre N.","Supersized bilayers based on an O-alkyl substituted calix[4]arene","CrystEngComm","2006","8","9","707","","10.1039/b608024c","","","0.71073","MoKα","","0.3422","0.1136","","","0.2675","0.4111","","","","","","0.893","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203508","11.221","0.002","5.4718","0.0011","30.459","0.006","90","","93.79","0.03","90","","1866.1","0.6","100","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H22 B2 O6 -","- C20 H22 B2 O6 -","- C80 H88 B8 O24 -","4","2","","Chandran, Sreekanth K.; Nangia, Ashwini","Modulated crystal structure (Z? = 2) of ?-d-glucofuranose-1,2?3,5-bis(p-tolyl)boronate","CrystEngComm","2006","8","8","581","","10.1039/b608029d","","","0.71073","MoKα","","0.062","0.0564","","","0.1217","0.1243","","","","","","1.13","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203509","5.6782","0.0006","11.3687","0.0012","30.306","0.003","90","","90","","90","","1956.4","0.4","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 B2 O6 -","- C20 H22 B2 O6 -","- C80 H88 B8 O24 -","4","1","","Chandran, Sreekanth K.; Nangia, Ashwini","Modulated crystal structure (Z? = 2) of ?-d-glucofuranose-1,2?3,5-bis(p-tolyl)boronate","CrystEngComm","2006","8","8","581","","10.1039/b608029d","","","0.71073","MoKα","","0.1055","0.0618","","","0.1284","0.1472","","","","","","1.09","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203510","10.2487","0.001","12.5428","0.0012","13.341","0.0013","90","","90","","90","","1715","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 B2 O6 -","- C18 H18 B2 O6 -","- C72 H72 B8 O24 -","4","1","","Chandran, Sreekanth K.; Nangia, Ashwini","Modulated crystal structure (Z? = 2) of ?-d-glucofuranose-1,2?3,5-bis(p-tolyl)boronate","CrystEngComm","2006","8","8","581","","10.1039/b608029d","","","0.71073","MoKα","","0.0397","0.0355","","","0.083","0.0851","","","","","","1.156","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203511","10.475","0.003","12.572","0.004","13.554","0.004","90","","90","","90","","1784.9","0.9","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 B2 O6 -","- C18 H18 B2 O6 -","- C72 H72 B8 O24 -","4","1","","Chandran, Sreekanth K.; Nangia, Ashwini","Modulated crystal structure (Z? = 2) of ?-d-glucofuranose-1,2?3,5-bis(p-tolyl)boronate","CrystEngComm","2006","8","8","581","","10.1039/b608029d","","","0.71073","MoKα","","0.2943","0.1023","","","0.1824","0.2196","","","","","","1.051","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203536","27.0695","0.0016","6.1051","0.0004","32.4245","0.0019","90","","111.443","0.001","90","","4987.6","0.5","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 N4 -","- C14 H14 N4 -","- C224 H224 N64 -","16","2","","De, Senjuti; Chowdhury, Shubhamoy; Tocher, Derek A.; Datta, Dipankar","Molecular and supramolecular structures of benzil dihydrazone, an organic helical molecule. Comparison with diacetyl dihydrazone","CrystEngComm","2006","8","9","670","","10.1039/b608107j","","","0.71073","MoKα","","0.0661","0.0577","","","0.132","0.1371","","","","","","1.099","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203540","38.7756","0.0005","28.6296","0.0005","19.9225","0.0003","90","","94.3539","0.001","90","","22052.7","0.6","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C76 H56 Cu N8 O12 -","- C76 H56 Cu N8 O12 -","- C608 H448 Cu8 N64 O96 -","8","1","","Lipstman, Sophia; Muniappan, Sankar; George, Sumod; Goldberg, Israel","The effects of strong Lewis-base reagents on supramolecular hydrogen bonding of meso-tetra(carboxyphenyl)porphyrins","CrystEngComm","2006","8","8","601","","10.1039/b608852j","","","0.71073","MoKα","","0.1027","0.0643","","","0.1735","0.1902","","","","","","0.963","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203541","13.523","0.0006","16.0078","0.0006","18.4755","0.0009","108.332","0.0018","93.617","0.002","106.441","0.003","3590.1","0.3","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H43 N7 O9 Ru -","- C64 H43 N7 O9 Ru -","- C128 H86 N14 O18 Ru2 -","2","1","","Lipstman, Sophia; Muniappan, Sankar; George, Sumod; Goldberg, Israel","The effects of strong Lewis-base reagents on supramolecular hydrogen bonding of meso-tetra(carboxyphenyl)porphyrins","CrystEngComm","2006","8","8","601","","10.1039/b608852j","","","0.71073","MoKα","","0.1026","0.0718","","","0.2025","0.2154","","","","","","1.033","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203542","17.3027","0.0002","14.0365","0.0002","22.2494","0.0003","90","","90","","90","","5403.7","0.12","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C56 H52 N4 O12 Pd S4 -","- C56 H52 N4 O12 Pd S4 -","- C224 H208 N16 O48 Pd4 S16 -","4","0.5","","Lipstman, Sophia; Muniappan, Sankar; George, Sumod; Goldberg, Israel","The effects of strong Lewis-base reagents on supramolecular hydrogen bonding of meso-tetra(carboxyphenyl)porphyrins","CrystEngComm","2006","8","8","601","","10.1039/b608852j","","","0.71073","MoKα","","0.0648","0.0426","","","0.1133","0.1272","","","","","","1.025","","","","has coordinates,has disorder","180366","2020-10-21","18:00:00",""
"7203543","10.3278","0.0005","11.8814","0.0005","18.0329","0.0009","100.305","0.0015","104.992","0.002","98.599","0.002","2057.88","0.17","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H49 N7 O12 Ru -","- C70 H49 N7 O12 Ru -","- C70 H49 N7 O12 Ru -","1","0.5","","Lipstman, Sophia; Muniappan, Sankar; George, Sumod; Goldberg, Israel","The effects of strong Lewis-base reagents on supramolecular hydrogen bonding of meso-tetra(carboxyphenyl)porphyrins","CrystEngComm","2006","8","8","601","","10.1039/b608852j","","","0.71073","MoKα","","0.099","0.0757","","","0.1936","0.2065","","","","","","1.043","","","","has coordinates,has disorder","180366","2020-10-21","18:00:00",""
"7203544","7.4613","0.0015","12.954","0.003","14.179","0.003","65.251","0.002","74.747","0.003","78.16","0.003","1193.6","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","Saccharin, pyridine","Saccharin, pyridine","","- C12 H10 N2 O3 S -","- C12 H10 N2 O3 S -","- C48 H40 N8 O12 S4 -","4","2","","Banerjee, Rahul; Saha, Binoy K.; Desiraju, Gautam R.","Synthon robustness in saccharinate salts of some substituted pyridines","CrystEngComm","2006","8","9","680","","10.1039/b608926g","","","0.71073","MoKα","","0.0869","0.0505","","","0.1231","0.1413","","","","","","1.039","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203545","9.705","0.011","11.706","0.013","10.411","0.011","90","","105.089","0.019","90","","1142","2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Saccharin, 4,4'-bipyridine","Saccharin, 4,4'-bipyridine","","- C24 H18 N4 O6 S2 -","- C24 H18 N4 O6 S2 -","- C48 H36 N8 O12 S4 -","2","0.5","","Banerjee, Rahul; Saha, Binoy K.; Desiraju, Gautam R.","Synthon robustness in saccharinate salts of some substituted pyridines","CrystEngComm","2006","8","9","680","","10.1039/b608926g","","","0.71073","MoKα","","0.1036","0.0438","","","0.0899","0.107","","","","","","0.899","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203546","7.4299","0.0005","11.1506","0.0007","15.345","0.0009","88.095","0.001","76.717","0.001","81.49","0.001","1223.67","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","saccharin, 4-picoline","saccharin, 4-picoline","","- C13 H12 N2 O3 S -","- C13 H12 N2 O3 S -","- C52 H48 N8 O12 S4 -","4","2","","Banerjee, Rahul; Saha, Binoy K.; Desiraju, Gautam R.","Synthon robustness in saccharinate salts of some substituted pyridines","CrystEngComm","2006","8","9","680","","10.1039/b608926g","","","0.71073","MoKα","","0.0411","0.0388","","","0.0981","0.0995","","","","","","1.138","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203547","6.9157","0.0012","17.351","0.003","10.6553","0.0018","90","","102.421","0.002","90","","1248.6","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","saccharine, isonicotinamide","saccharine, isonicotinamide","","- C13 H11 N3 O4 S -","- C13 H11 N3 O4 S -","- C52 H44 N12 O16 S4 -","4","1","","Banerjee, Rahul; Saha, Binoy K.; Desiraju, Gautam R.","Synthon robustness in saccharinate salts of some substituted pyridines","CrystEngComm","2006","8","9","680","","10.1039/b608926g","","","0.71073","MoKα","","0.0521","0.0417","","","0.0951","0.101","","","","","","1.018","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203548","12.1321","0.0009","8.3859","0.0006","13.1779","0.001","90","","112.61","0.001","90","","1237.66","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Saccharin, 3-aminopyridine","Saccharin, 3-aminopyridine","","- C12 H11 N3 O3 S -","- C12 H11 N3 O3 S -","- C48 H44 N12 O12 S4 -","4","1","","Banerjee, Rahul; Saha, Binoy K.; Desiraju, Gautam R.","Synthon robustness in saccharinate salts of some substituted pyridines","CrystEngComm","2006","8","9","680","","10.1039/b608926g","","","0.71073","MoKα","","0.0336","0.0323","","","0.0878","0.0889","","","","","","1.06","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203549","13.7712","0.0012","12.4593","0.0011","14.3461","0.0013","90","","90","","90","","2461.5","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Saccharin, 2-aminopyridine","saccharin, 2-aminopyridine","","- C12 H11 N3 O3 S -","- C12 H11 N3 O3 S -","- C96 H88 N24 O24 S8 -","8","1","","Banerjee, Rahul; Saha, Binoy K.; Desiraju, Gautam R.","Synthon robustness in saccharinate salts of some substituted pyridines","CrystEngComm","2006","8","9","680","","10.1039/b608926g","","","0.71073","MoKα","","0.0448","0.0394","","","0.0961","0.099","","","","","","1.113","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203550","7.2644","0.0015","7.382","0.0015","13.752","0.003","98.667","0.003","95.025","0.003","100.566","0.003","711.6","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","saccharin, 2-amino-4,6-dimethylpyrimidine","saccharin, 2-amino-4,6-dimethylpyrimidine","","- C13 H14 N4 O3 S -","- C13 H14 N4 O3 S -","- C26 H28 N8 O6 S2 -","2","1","","Banerjee, Rahul; Saha, Binoy K.; Desiraju, Gautam R.","Synthon robustness in saccharinate salts of some substituted pyridines","CrystEngComm","2006","8","9","680","","10.1039/b608926g","","","0.71073","MoKα","","0.0539","0.0459","","","0.1222","0.1288","","","","","","1.034","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203551","15.4801","0.0009","18.8355","0.0012","18.5273","0.0008","90","","102.642","0.003","90","","5271.1","0.5","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C110 H162 Ba N2 O22 -","- C110 H162 Ba N2 O22 -","- C220 H324 Ba2 N4 O44 -","2","1","","Bernardo Masci; Pierre Thuéry","Complex-within-complex assemblages from {M([2.2.2]cryptand)(H~2~O)~2~}^2+^ (M = Sr, Ba) and {UO~2~(<i>p-tert</i>-butyl[3.1.3.1]homooxacalixarene ‒ 4H)}^2−^","CrystEngComm","2006","8","10","764","","10.1039/b609043e","","","0.71073","MoKα","","0.1395","0.0919","","","0.2212","0.2604","","","","","","1.008","","","","has coordinates","189177","2020-10-21","18:00:00",""
"7203552","16.1945","0.0006","22.5902","0.0009","20.9304","0.0006","90","","103.591","0.002","90","","7442.7","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C68 H114 N2 O21 Sr U -","- C68 H114 N2 O21 Sr U -","- C272 H456 N8 O84 Sr4 U4 -","4","1","","Bernardo Masci; Pierre Thuéry","Complex-within-complex assemblages from {M([2.2.2]cryptand)(H~2~O)~2~}^2+^ (M = Sr, Ba) and {UO~2~(<i>p-tert</i>-butyl[3.1.3.1]homooxacalixarene ‒ 4H)}^2−^","CrystEngComm","2006","8","10","764","","10.1039/b609043e","","","0.71073","MoKα","","0.073","0.0469","","","0.1052","0.116","","","","","","1.028","","","","has coordinates,has disorder","189177","2020-10-21","18:00:00",""
"7203553","12.8244","0.0003","22.0852","0.0005","29.4456","0.0008","90","","91.312","0.001","90","","8337.7","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C68 H120 Ba N2 O24 U -","- C68 H120 Ba N2 O24 U -","- C272 H480 Ba4 N8 O96 U4 -","4","1","","Bernardo Masci; Pierre Thuéry","Complex-within-complex assemblages from {M([2.2.2]cryptand)(H~2~O)~2~}^2+^ (M = Sr, Ba) and {UO~2~(<i>p-tert</i>-butyl[3.1.3.1]homooxacalixarene ‒ 4H)}^2−^","CrystEngComm","2006","8","10","764","","10.1039/b609043e","","","0.71073","MoKα","","0.0746","0.0575","","","0.1511","0.1634","","","","","","1.056","","","","has coordinates","189177","2020-10-21","18:00:00",""
"7203554","18.8808","0.0013","19.0624","0.0019","22.4431","0.0019","66.304","0.005","73.525","0.006","66.252","0.005","6698.4","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C122 H194 Ba N4 O29 U2 -","- C122 H194 Ba N4 O29 U2 -","- C244 H388 Ba2 N8 O58 U4 -","2","1","","Bernardo Masci; Pierre Thuéry","Complex-within-complex assemblages from {M([2.2.2]cryptand)(H~2~O)~2~}^2+^ (M = Sr, Ba) and {UO~2~(<i>p-tert</i>-butyl[3.1.3.1]homooxacalixarene ‒ 4H)}^2−^","CrystEngComm","2006","8","10","764","","10.1039/b609043e","","","0.71073","MoKα","","0.1451","0.0982","","","0.2242","0.2515","","","","","","1.039","","","","has coordinates","189177","2020-10-21","18:00:00",""
"7203555","14.806","0.013","7.155","0.006","7.82","0.007","90","","94.861","0.014","90","","825.4","1.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-amino-4-ethylphenol","2-amino-4-ethylphenol","","- C8 H11 N O -","- C8 H11 N O -","- C32 H44 N4 O4 -","4","1","","Dey, Archan; Pati, Narendra Nath; Desiraju, Gautam R.","Crystal structure prediction with the supramolecular synthon approach: Experimental structures of 2-amino-4-ethylphenol and 3-amino-2-naphthol and comparison with prediction","CrystEngComm","2006","8","10","751","","10.1039/b609101f","","","0.71073","MoKα","","0.1872","0.0806","","","0.1759","0.2201","","","","","","0.927","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203556","15.1054","0.0013","6.0153","0.0005","8.4629","0.0007","90","","99.582","0.001","90","","758.24","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3 amino 2 naphthol","3 amino 2 naphthol","","- C10 H9 N O -","- C10 H9 N O -","- C40 H36 N4 O4 -","4","1","","Dey, Archan; Pati, Narendra Nath; Desiraju, Gautam R.","Crystal structure prediction with the supramolecular synthon approach: Experimental structures of 2-amino-4-ethylphenol and 3-amino-2-naphthol and comparison with prediction","CrystEngComm","2006","8","10","751","","10.1039/b609101f","","","0.71073","MoKα","","0.0441","0.0415","","","0.1099","0.1121","","","","","","1.048","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203557","18.9615","0.0003","11.942","0.0003","12.8415","0.0002","90","","125.675","0.001","90","","2362.13","0.08","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Dichloro-bis[5-amino-3-(pyrid-2-yl)pyrazole]manganese(II) dimethanol solvate (1.2CH~3~OH)","","- C18 H24 Cl2 Mn N8 O2 -","- C18 H24 Cl2 Mn N8 O2 -","- C72 H96 Cl8 Mn4 N32 O8 -","4","0.5","","Jones, Leigh F.; Camm, Kenneth D.; Kilner, Colin A.; Halcrow, Malcolm A.","Novel hydrogen bond network topologies in complexes of the ditopic ligand 5-amino-3-(pyrid-2-yl)-1H-pyrazole","CrystEngComm","2006","8","9","719","","10.1039/b609424d","","","0.71073","MoKα","","0.0468","0.0406","","","0.1185","0.1239","","","","","","1.054","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203558","10.7275","0.0002","11.662","0.0002","11.9305","0.0002","95.9291","0.0006","96.0695","0.0006","110.075","0.001","1378.36","0.04","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Dichloro-bis[5-amino-3-(pyrid-2-yl)pyrazole]iron(III) chloride tetrakis-methanol solvate (2.4CH~3~OH)","","- C20 H32 Cl3 Fe N8 O4 -","- C20 H32 Cl3 Fe N8 O4 -","- C40 H64 Cl6 Fe2 N16 O8 -","2","1","","Jones, Leigh F.; Camm, Kenneth D.; Kilner, Colin A.; Halcrow, Malcolm A.","Novel hydrogen bond network topologies in complexes of the ditopic ligand 5-amino-3-(pyrid-2-yl)-1H-pyrazole","CrystEngComm","2006","8","9","719","","10.1039/b609424d","","","0.71073","MoKα","","0.0522","0.036","","","0.0895","0.0974","","","","","","1.022","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203559","7.2901","0.0003","28.8637","0.0008","11.8758","0.0006","90","","107.874","0.002","90","","2378.28","0.17","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[5-amino-3-(pyrid-2-yl)pyrazole]copper(II) diperchlorate methanol solvate (3.CH~3~OH)","","- C17 H20 Cl2 Cu N8 O9 -","- C17 H20 Cl2 Cu N8 O9 -","- C68 H80 Cl8 Cu4 N32 O36 -","4","1","","Jones, Leigh F.; Camm, Kenneth D.; Kilner, Colin A.; Halcrow, Malcolm A.","Novel hydrogen bond network topologies in complexes of the ditopic ligand 5-amino-3-(pyrid-2-yl)-1H-pyrazole","CrystEngComm","2006","8","9","719","","10.1039/b609424d","","","0.71073","MoKα","","0.0852","0.0583","","","0.1531","0.1682","","","","","","1.047","","","","has coordinates,has disorder","180366","2020-10-21","18:00:00",""
"7203560","20.5384","0.0007","8.2388","0.0002","14.5781","0.0006","90","","101.409","0.0013","90","","2418.04","0.14","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis[5-amino-3-(pyrid-2-yl)pyrazole][acetonitrile]copper(II) diperchlorate (4)","","- C18 H19 Cl2 Cu N9 O8 -","- C18 H19 Cl2 Cu N9 O8 -","- C72 H76 Cl8 Cu4 N36 O32 -","4","0.5","","Jones, Leigh F.; Camm, Kenneth D.; Kilner, Colin A.; Halcrow, Malcolm A.","Novel hydrogen bond network topologies in complexes of the ditopic ligand 5-amino-3-(pyrid-2-yl)-1H-pyrazole","CrystEngComm","2006","8","9","719","","10.1039/b609424d","","","0.71073","MoKα","","0.0654","0.0458","","","0.121","0.1329","","","","","","1.028","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203561","14.3848","0.0002","16.214","0.0002","34.3029","0.0005","90","","90","","90","","8000.64","0.19","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Nitrato-bis(5-amino-3-(pyrid-2-yl)pyrazole)copper(ii) nitrate hydrate (0.5/0.13) (5.xH!2$O; x = 0.13)","Nitrato-bis[5-amino-3-(pyrid-2-yl)pyrazole]copper(II) nitrate hydrate (0.5/0.13) (5.xH~2~O; x = 0.13)","","- C16 H16.26 Cu N10 O6.13 -","- C16 H16 Cu N10 O6.13 -","- C256 H256 Cu16 N160 O98.08 -","16","2","","Jones, Leigh F.; Camm, Kenneth D.; Kilner, Colin A.; Halcrow, Malcolm A.","Novel hydrogen bond network topologies in complexes of the ditopic ligand 5-amino-3-(pyrid-2-yl)-1H-pyrazole","CrystEngComm","2006","8","9","719","","10.1039/b609424d","","","0.71073","MoKα","","0.1364","0.0576","","","0.1373","0.1661","","","","","","1.01","","","","has coordinates,has disorder","180366","2020-10-21","18:00:00",""
"7203562","14.168","0.0001","16.4064","0.0002","35.0658","0.0004","90","","90","","90","","8150.9","0.15","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Nitrato-bis[5-amino-3-(pyrid-2-yl)pyrazole]zinc(II) nitrate hydrate (0.5/0.29) (5.xH~2~O; x = 0.29)","","- C16 H16.58 N10 O6.29 Zn -","- C16 H16 N10 O6.29 Zn -","- C256 H256 N160 O100.64 Zn16 -","16","2","","Jones, Leigh F.; Camm, Kenneth D.; Kilner, Colin A.; Halcrow, Malcolm A.","Novel hydrogen bond network topologies in complexes of the ditopic ligand 5-amino-3-(pyrid-2-yl)-1H-pyrazole","CrystEngComm","2006","8","9","719","","10.1039/b609424d","","","0.71073","MoKα","","0.0713","0.0476","","","0.1224","0.134","","","","","","1.054","","","","has coordinates,has disorder","180366","2020-10-21","18:00:00",""
"7203563","12.3753","0.0007","17.13","0.0013","16.3243","0.0012","90","","110.892","0.004","90","","3233.1","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetrakis(5-amino-3-{pyrid-2-yl}pyrazolido)dicopper(II) hydrate (0.5/0.25) (7.xH~2~O; x = 0.25)","","- C32 H28.5 Cu2 N16 O0.25 -","- C32 H28 Cu2 N16 O0.255 -","- C128 H112 Cu8 N64 O1.02 -","4","1","","Jones, Leigh F.; Camm, Kenneth D.; Kilner, Colin A.; Halcrow, Malcolm A.","Novel hydrogen bond network topologies in complexes of the ditopic ligand 5-amino-3-(pyrid-2-yl)-1H-pyrazole","CrystEngComm","2006","8","9","719","","10.1039/b609424d","","","0.71073","MoKα","","0.0897","0.0678","","","0.1699","0.1947","","","","","","1.021","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7203566","18.499","0.009","8.626","0.008","19.255","0.009","90","","90","","90","","3073","4","230","","230","0.2","","","","","","","see text","6","P c a 21","P 2c -2ac","29","1-ethyl-3-methylimidazolium bis(trifluoromethanesulfonlyl)imide","1-ethyl-3-methylimidazolium bis(trifluoromethanesulfonlyl)imide","","- C8 H11 F6 N3 O4 S2 -","- C8 H11 F6 N3 O4 S2 -","- C64 H88 F48 N24 O32 S16 -","8","2","","Choudhury, Angshuman R.; Winterton, Neil; Steiner, Alexander; Cooper, Andrew I.; Johnson, Kathleen A.","In situ crystallization of ionic liquids with melting points below ?25 ?C","CrystEngComm","2006","8","10","742","","10.1039/b609598d","","","0.71073","MoKα","","0.1465","0.0823","","","0.1936","0.2225","","","","","","0.948","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203567","10.183","0.005","12.384","0.007","18.294","0.008","90","","90","","90","","2307","2","150","","150","0.2","","","","","","","see text","6","P b c a","-P 2ac 2ab","61","1-ethyl-3-methylimidazolium trifluoromethanesulfonate","1-ethyl-3-methylimidazolium trifluoromethanesulfonate","","- C7 H11 F3 N2 O3 S -","- C7 H11 F3 N2 O3 S -","- C56 H88 F24 N16 O24 S8 -","8","1","","Choudhury, Angshuman R.; Winterton, Neil; Steiner, Alexander; Cooper, Andrew I.; Johnson, Kathleen A.","In situ crystallization of ionic liquids with melting points below ?25 ?C","CrystEngComm","2006","8","10","742","","10.1039/b609598d","","","0.71073","MoKα","","0.0738","0.0519","","","0.1249","0.1341","","","","","","1.139","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203568","12.526","0.003","10.179","0.002","12.332","0.003","90","","115.038","0.004","90","","1424.6","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,4-bis((1-pyrazolyl)methyl)benzene, (3,5-dinitrobenzoic acid)2","1,4-bis[(1-pyrazolyl)methyl]benzene, (3,5-dinitrobenzoic acid)2","","- C28 H22 N8 O12 -","- C28 H22 N8 O12 -","- C56 H44 N16 O24 -","2","0.5","","Christer B. Aakeröy; John Desper; Meg E. Fasulo","Improving success rate of hydrogen-bond driven synthesis of co-crystals","CrystEngComm","2006","8","8","586","","10.1039/b609709j","","","0.71073","MoKα","","0.0518","0.0453","","","0.1194","0.1245","","","","","","1.055","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203569","7.5783","0.0008","7.901","0.0009","14.1442","0.0013","103.784","0.007","101.429","0.007","90.509","0.006","804.8","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","MF142Me8 1,4-bis((3,5-dimethylpyrazol-1-yl)methyl)benzene, (2,6-Cl2PhCOOH)2","MF142Me8 1,4-bis[(3,5-dimethylpyrazol-1-yl)methyl]benzene, (2,6-Cl2PhCOOH)2","","- C32 H30 Cl4 N4 O4 -","- C32 H30 Cl4 N4 O4 -","- C32 H30 Cl4 N4 O4 -","1","0.5","","Christer B. Aakeröy; John Desper; Meg E. Fasulo","Improving success rate of hydrogen-bond driven synthesis of co-crystals","CrystEngComm","2006","8","8","586","","10.1039/b609709j","","","0.71073","MoKα","","0.0804","0.0666","","","0.1956","0.206","","","","","","1.357","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203570","8.8093","0.0006","14.7493","0.001","15.4238","0.0012","67.222","0.004","82.777","0.004","86.232","0.004","1832.8","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","MF142Me8 1,4-bis((3,5-dimethylpyrazol-1-yl)methyl)benzene (Me5-PhCOOH)2","MF142Me8 1,4-bis[(3,5-dimethylpyrazol-1-yl)methyl]benzene (Me5-PhCOOH)2","","- C42 H54 N4 O4 -","- C42 H54 N4 O4 -","- C84 H108 N8 O8 -","2","1","","Christer B. Aakeröy; John Desper; Meg E. Fasulo","Improving success rate of hydrogen-bond driven synthesis of co-crystals","CrystEngComm","2006","8","8","586","","10.1039/b609709j","","","0.71073","MoKα","","0.1184","0.0798","","","0.2154","0.2413","","","","","","1.231","","","","has coordinates,has disorder","180366","2020-10-21","18:00:00",""
"7203571","8.6489","0.0014","14.576","0.003","15.257","0.003","88.236","0.008","80.342","0.007","88.046","0.008","1894.4","0.6","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H42 Cu N6 O7 -","- C44 H40 Cu N6 O7 -","- C88 H80 Cu2 N12 O14 -","2","1","","M. John Plater; Thomas Gelbrich; Michael B. Hursthouse; Ben M. De Silva","Synthesis of co-ordination networks selecting from either (<i>R,R</i>), (<i>S,S</i>) and (<i>R,S</i>)-1,4- or -1,3-bis[2-(4-pyridyl)-2-methylethyl]benzene and a discrete complex from 1,4-bis[2-(3-pyridyl)-2-methyl-<i>cis</i>-ethenyl)]benzene","CrystEngComm","2006","8","12","895","","10.1039/b609740e","","","0.71073","MoKα","","0.1514","0.0997","","","0.1906","0.2107","","","","","","1.235","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203572","5.1824","0.0002","15.3047","0.0008","11.2209","0.0005","90","","100.618","0.003","90","","874.75","0.07","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 N2 -","- C22 H20 N2 -","- C44 H40 N4 -","2","0.5","","M. John Plater; Thomas Gelbrich; Michael B. Hursthouse; Ben M. De Silva","Synthesis of co-ordination networks selecting from either (<i>R,R</i>), (<i>S,S</i>) and (<i>R,S</i>)-1,4- or -1,3-bis[2-(4-pyridyl)-2-methylethyl]benzene and a discrete complex from 1,4-bis[2-(3-pyridyl)-2-methyl-<i>cis</i>-ethenyl)]benzene","CrystEngComm","2006","8","12","895","","10.1039/b609740e","","","0.71073","MoKα","","0.0697","0.041","","","0.1023","0.1129","","","","","","0.989","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203573","24.7921","0.0009","5.9555","0.0002","11.8649","0.0003","90","","101.992","0.002","90","","1713.61","0.1","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 N2 -","- C22 H20 N2 -","- C88 H80 N8 -","4","1","","M. John Plater; Thomas Gelbrich; Michael B. Hursthouse; Ben M. De Silva","Synthesis of co-ordination networks selecting from either (<i>R,R</i>), (<i>S,S</i>) and (<i>R,S</i>)-1,4- or -1,3-bis[2-(4-pyridyl)-2-methylethyl]benzene and a discrete complex from 1,4-bis[2-(3-pyridyl)-2-methyl-<i>cis</i>-ethenyl)]benzene","CrystEngComm","2006","8","12","895","","10.1039/b609740e","","","0.71073","MoKα","","0.0973","0.0787","","","0.1487","0.1558","","","","","","1.075","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203574","6.6661","0.0002","12.8086","0.0004","10.5343","0.0004","90","","105.883","0.001","90","","865.12","0.05","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 N2 -","- C22 H20 N2 -","- C44 H40 N4 -","2","0.5","","M. John Plater; Thomas Gelbrich; Michael B. Hursthouse; Ben M. De Silva","Synthesis of co-ordination networks selecting from either (<i>R,R</i>), (<i>S,S</i>) and (<i>R,S</i>)-1,4- or -1,3-bis[2-(4-pyridyl)-2-methylethyl]benzene and a discrete complex from 1,4-bis[2-(3-pyridyl)-2-methyl-<i>cis</i>-ethenyl)]benzene","CrystEngComm","2006","8","12","895","","10.1039/b609740e","","","0.71073","MoKα","","0.0464","0.0385","","","0.1016","0.1062","","","","","","1.067","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203575","11.2284","0.0016","13.9722","0.0019","14.47","0.003","104.476","0.004","97.445","0.005","99.866","0.007","2129.9","0.6","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H50 Cd N6 O7 -","- C44 H46.5 Cd N6 O7 -","- C88 H93 Cd2 N12 O14 -","2","1","","M. John Plater; Thomas Gelbrich; Michael B. Hursthouse; Ben M. De Silva","Synthesis of co-ordination networks selecting from either (<i>R,R</i>), (<i>S,S</i>) and (<i>R,S</i>)-1,4- or -1,3-bis[2-(4-pyridyl)-2-methylethyl]benzene and a discrete complex from 1,4-bis[2-(3-pyridyl)-2-methyl-<i>cis</i>-ethenyl)]benzene","CrystEngComm","2006","8","12","895","","10.1039/b609740e","","","0.71073","MoKα","","0.2044","0.1343","","","0.1864","0.2092","","","","","","1.223","","","","has coordinates,has disorder","180366","2020-10-21","18:00:00",""
"7203576","18.9609","0.0005","20.1474","0.0006","18.4747","0.0004","90","","96.418","0.002","90","","7013.3","0.3","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C66 H79 Cd Cl2 N6 O12 -","- C66 H79 Cd Cl2 N6 O12 -","- C264 H316 Cd4 Cl8 N24 O48 -","4","0.5","","M. John Plater; Thomas Gelbrich; Michael B. Hursthouse; Ben M. De Silva","Synthesis of co-ordination networks selecting from either (<i>R,R</i>), (<i>S,S</i>) and (<i>R,S</i>)-1,4- or -1,3-bis[2-(4-pyridyl)-2-methylethyl]benzene and a discrete complex from 1,4-bis[2-(3-pyridyl)-2-methyl-<i>cis</i>-ethenyl)]benzene","CrystEngComm","2006","8","12","895","","10.1039/b609740e","","","0.71073","MoKα","","0.0783","0.0604","","","0.1175","0.1248","","","","","","1.078","","","","has coordinates,has disorder","180366","2020-10-21","18:00:00",""
"7203577","17.707","0.006","20.119","0.003","19.17","0.009","90","","90","","90","","6829","4","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C66 H76 Co N8 O8 -","- C66 H76 Co N8 O8 -","- C264 H304 Co4 N32 O32 -","4","1","","M. John Plater; Thomas Gelbrich; Michael B. Hursthouse; Ben M. De Silva","Synthesis of co-ordination networks selecting from either (<i>R,R</i>), (<i>S,S</i>) and (<i>R,S</i>)-1,4- or -1,3-bis[2-(4-pyridyl)-2-methylethyl]benzene and a discrete complex from 1,4-bis[2-(3-pyridyl)-2-methyl-<i>cis</i>-ethenyl)]benzene","CrystEngComm","2006","8","12","895","","10.1039/b609740e","","","0.71073","MoKα","","0.159","0.1122","","","0.2218","0.2373","","","","","","1.219","","","","has coordinates,has disorder","180366","2020-10-21","18:00:00",""
"7203578","17.707","0.003","20.072","0.004","19.219","0.002","90","","90","","90","","6830.7","1.9","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C66 H76 N8 Ni O8 -","- C66 H76 N8 Ni O8 -","- C264 H304 N32 Ni4 O32 -","4","1","","M. John Plater; Thomas Gelbrich; Michael B. Hursthouse; Ben M. De Silva","Synthesis of co-ordination networks selecting from either (<i>R,R</i>), (<i>S,S</i>) and (<i>R,S</i>)-1,4- or -1,3-bis[2-(4-pyridyl)-2-methylethyl]benzene and a discrete complex from 1,4-bis[2-(3-pyridyl)-2-methyl-<i>cis</i>-ethenyl)]benzene","CrystEngComm","2006","8","12","895","","10.1039/b609740e","","","0.71073","MoKα","","0.1289","0.097","","","0.1955","0.208","","","","","","1.077","","","","has coordinates,has disorder","180366","2020-10-21","18:00:00",""
"7203579","12.71","0.003","25.181","0.005","13.499","0.003","90","","90","","90","","4320.4","1.6","120","2","120","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C44 H50 Cd N6 O7 -","- C44 H50 Cd N6 O7 -","- C176 H200 Cd4 N24 O28 -","4","0.5","","M. John Plater; Thomas Gelbrich; Michael B. Hursthouse; Ben M. De Silva","Synthesis of co-ordination networks selecting from either (<i>R,R</i>), (<i>S,S</i>) and (<i>R,S</i>)-1,4- or -1,3-bis[2-(4-pyridyl)-2-methylethyl]benzene and a discrete complex from 1,4-bis[2-(3-pyridyl)-2-methyl-<i>cis</i>-ethenyl)]benzene","CrystEngComm","2006","8","12","895","","10.1039/b609740e","","","0.71073","MoKα","","0.0576","0.0442","","","0.1138","0.1211","","","","","","1.038","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203582","20.457","0.011","25.429","0.014","14.537","0.008","90","","122.662","0.006","90","","6366","6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H57 Co N15 O5 -","- C48 H56 Co N15 O5 -","- C192 H224 Co4 N60 O20 -","4","0.5","","Du, Miao; Wang, Xiu-Guang; Zhang, Zhi-Hui; Tang, Liang-Fu; Zhao, Xiao-Jun","Solvent-directed layered Co(ii) coordination polymers with unusual solid-state properties: from a nanoporous framework to the dense polythreading 3-D aggregation","CrystEngComm","2006","8","11","788","","10.1039/b610160g","","","0.71073","MoKα","","0.0953","0.0525","","","0.1387","0.1752","","","","","","1.035","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203583","22.923","0.003","24.682","0.004","8.334","0.0012","90","","90","","90","","4715.3","1.2","293","2","293","2","","","","","","","","4","P c c a","-P 2a 2ac","54","","","","- C46 H44 Co N18 -","- C46 H44 Co N18 -","- C184 H176 Co4 N72 -","4","0.5","","Du, Miao; Wang, Xiu-Guang; Zhang, Zhi-Hui; Tang, Liang-Fu; Zhao, Xiao-Jun","Solvent-directed layered Co(ii) coordination polymers with unusual solid-state properties: from a nanoporous framework to the dense polythreading 3-D aggregation","CrystEngComm","2006","8","11","788","","10.1039/b610160g","","","0.71073","MoKα","","0.1659","0.057","","","0.1152","0.1535","","","","","","1.005","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203584","24.958","0.004","24.637","0.004","8.1686","0.0012","90","","90","","90","","5022.8","1.4","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C46 H46 Co N18 O -","- C46 H44 Co N18 O -","- C184 H176 Co4 N72 O4 -","4","0.5","","Du, Miao; Wang, Xiu-Guang; Zhang, Zhi-Hui; Tang, Liang-Fu; Zhao, Xiao-Jun","Solvent-directed layered Co(ii) coordination polymers with unusual solid-state properties: from a nanoporous framework to the dense polythreading 3-D aggregation","CrystEngComm","2006","8","11","788","","10.1039/b610160g","","","0.71073","MoKα","","0.0711","0.0498","","","0.1541","0.1717","","","","","","1.063","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203585","9.0541","0.0018","18.159","0.004","9.7343","0.0019","90","","91.2","0.03","90","","1600.1","0.6","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,3 lutidine fumarate","","","- C15 H17 N O8 -","- C15 H17 N O8 -","- C60 H68 N4 O32 -","4","1","","Haynes, Delia A.; Jones, William; Motherwell, W. D. Samuel","Cocrystallisation of succinic and fumaric acids with lutidines: a systematic study","CrystEngComm","2006","8","11","830","","10.1039/b610294h","","","0.71073","MoKα","","0.0729","0.05","","","0.1094","0.1188","","","","","","1.11","","","","has coordinates,has disorder","180366","2020-10-21","18:00:00",""
"7203586","9.8746","0.0004","7.1925","0.0004","12.2559","0.0005","90","","96.81","0.003","90","","864.31","0.07","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,3 lutidine fumaric acid co-crystal","","","- C18 H22 N2 O4 -","- C18 H22 N2 O4 -","- C36 H44 N4 O8 -","2","0.5","","Haynes, Delia A.; Jones, William; Motherwell, W. D. Samuel","Cocrystallisation of succinic and fumaric acids with lutidines: a systematic study","CrystEngComm","2006","8","11","830","","10.1039/b610294h","","","0.71073","MoKα","","0.0723","0.0503","","","0.1179","0.131","","","","","","1.053","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203587","10.0598","0.0003","7.3023","0.0003","12.2512","0.0004","90","","97.47","0.002","90","","892.33","0.05","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,3 lutidine succinic acid co-crystal","","","- C18 H24 N2 O4 -","- C18 H24 N2 O4 -","- C36 H48 N4 O8 -","2","0.5","","Haynes, Delia A.; Jones, William; Motherwell, W. D. Samuel","Cocrystallisation of succinic and fumaric acids with lutidines: a systematic study","CrystEngComm","2006","8","11","830","","10.1039/b610294h","","","0.71073","MoKα","","0.0571","0.0426","","","0.1073","0.1163","","","","","","1.03","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203588","3.9653","0.0001","13.7652","0.0004","20.0488","0.0006","90","","91.603","0.001","90","","1093.9","0.05","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,4 lutidine fumarate","","","- C11 H13 N O4 -","- C11 H13 N O4 -","- C44 H52 N4 O16 -","4","1","","Haynes, Delia A.; Jones, William; Motherwell, W. D. Samuel","Cocrystallisation of succinic and fumaric acids with lutidines: a systematic study","CrystEngComm","2006","8","11","830","","10.1039/b610294h","","","0.71073","MoKα","","0.0707","0.0497","","","0.1197","0.1327","","","","","","1.081","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203589","4.8672","0.001","12.763","0.003","14.374","0.003","90","","96.2","0.03","90","","887.7","0.3","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,4 lutidine succinic acid co-crystal","","","- C18 H24 N2 O4 -","- C18 H24 N2 O4 -","- C36 H48 N4 O8 -","2","0.5","","Haynes, Delia A.; Jones, William; Motherwell, W. D. Samuel","Cocrystallisation of succinic and fumaric acids with lutidines: a systematic study","CrystEngComm","2006","8","11","830","","10.1039/b610294h","","","0.71073","MoKα","","0.087","0.0496","","","0.1219","0.1423","","","","","","1.016","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203590","7.2696","0.0002","9.1353","0.0003","11.6311","0.0003","84.115","0.002","72.513","0.002","88.763","0.002","732.81","0.04","293","2","180","2","","","","","","","","4","P -1","-P 1","2","2,5 lutidine fumarate","","","- C13 H15 N O6 -","- C13 H15 N O6 -","- C26 H30 N2 O12 -","2","1","","Haynes, Delia A.; Jones, William; Motherwell, W. D. Samuel","Cocrystallisation of succinic and fumaric acids with lutidines: a systematic study","CrystEngComm","2006","8","11","830","","10.1039/b610294h","","","0.71073","MoKα","","0.0503","0.0426","","","0.123","0.1298","","","","","","1.09","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203591","4.7197","0.0009","15.272","0.003","12.819","0.003","90","","97.38","0.03","90","","916.3","0.3","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,5 lutidine succinic acid co-crystal","","","- C18 H24 N2 O4 -","- C18 H24 N2 O4 -","- C36 H48 N4 O8 -","2","0.5","","Haynes, Delia A.; Jones, William; Motherwell, W. D. Samuel","Cocrystallisation of succinic and fumaric acids with lutidines: a systematic study","CrystEngComm","2006","8","11","830","","10.1039/b610294h","","","0.71073","MoKα","","0.0669","0.0527","","","0.1402","0.1507","","","","","","1.057","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203592","15.733","0.003","15.106","0.003","7.6047","0.0015","90","","98.56","0.03","90","","1787.2","0.6","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,6 lutidine succinic acid co-crystal","","","- C18 H24 N2 O4 -","- C18 H24 N2 O4 -","- C72 H96 N8 O16 -","4","1","","Haynes, Delia A.; Jones, William; Motherwell, W. D. Samuel","Cocrystallisation of succinic and fumaric acids with lutidines: a systematic study","CrystEngComm","2006","8","11","830","","10.1039/b610294h","","","0.71073","MoKα","","0.0531","0.0432","","","0.1058","0.1138","","","","","","1.055","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203593","7.0478","0.0002","10.087","0.0003","10.857","0.0003","102.305","0.002","104.584","0.002","107.975","0.002","674.12","0.04","180","2","180","2","","","","","","","","4","P -1","-P 1","2","3,4 lutidine fumarate","","","- C13 H15 N O6 -","- C13 H15 N O6 -","- C26 H30 N2 O12 -","2","1","","Haynes, Delia A.; Jones, William; Motherwell, W. D. Samuel","Cocrystallisation of succinic and fumaric acids with lutidines: a systematic study","CrystEngComm","2006","8","11","830","","10.1039/b610294h","","","0.71073","MoKα","","0.0523","0.0421","","","0.0944","0.1015","","","","","","1.064","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203594","9.802","0.002","6.0385","0.0012","15.626","0.003","90","","102.49","0.03","90","","903","0.3","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3,4 lutidine succinic acid co-crystal","","","- C18 H24 N2 O4 -","- C18 H24 N2 O4 -","- C36 H48 N4 O8 -","2","0.5","","Haynes, Delia A.; Jones, William; Motherwell, W. D. Samuel","Cocrystallisation of succinic and fumaric acids with lutidines: a systematic study","CrystEngComm","2006","8","11","830","","10.1039/b610294h","","","0.71073","MoKα","","0.1148","0.065","","","0.1331","0.1578","","","","","","1.099","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203595","8.2345","0.0016","16.299","0.003","6.9681","0.0014","90","","108.17","0.03","90","","888.6","0.3","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3,5 lutidine fumaric acid co-crystal","","","- C18 H22 N2 O4 -","- C18 H22 N2 O4 -","- C36 H44 N4 O8 -","2","0.5","","Haynes, Delia A.; Jones, William; Motherwell, W. D. Samuel","Cocrystallisation of succinic and fumaric acids with lutidines: a systematic study","CrystEngComm","2006","8","11","830","","10.1039/b610294h","","","0.71073","MoKα","","0.0404","0.0372","","","0.1032","0.1069","","","","","","1.084","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203596","10.464","0.002","4.9696","0.001","17.113","0.003","90","","95.67","0.03","90","","885.6","0.3","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3,5 lutidine succinic acid co-crystal","","","- C18 H24 N2 O4 -","- C18 H24 N2 O4 -","- C36 H48 N4 O8 -","2","0.5","","Haynes, Delia A.; Jones, William; Motherwell, W. D. Samuel","Cocrystallisation of succinic and fumaric acids with lutidines: a systematic study","CrystEngComm","2006","8","11","830","","10.1039/b610294h","","","0.71073","MoKα","","0.0993","0.058","","","0.1263","0.1453","","","","","","1.038","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203597","9.088","0.002","10.425","0.004","25.005","0.007","90","","90","","90","","2369","1.2","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","5H-dibenz(b,f)azepine-5-carboxamide 10,11-dihydro-5H- dibenz(b,f)azepine-5-carboxamide (1/1)","5H-dibenz[b,f]azepine-5-carboxamide 10,11-dihydro-5H-dibenz[b,f]azepine- 5-carboxamide (1/1)","","- C15 H13 N2 O -","- C15 H13 N2 O -","- C120 H104 N16 O8 -","8","1","","Florence, A. J.; Leech, C. K.; Shankland, N.; Shankland, K.; Johnston, A.","Control and prediction of packing motifs: a rare occurrence of carbamazepine in a catemeric configuration","CrystEngComm","2006","8","10","746","","10.1039/b610317k","","","1.54184","CuKα","","0.1045","0.0603","","","0.1488","0.1617","","","","","","0.954","","","","has coordinates,has disorder","180366","2020-10-21","18:00:00",""
"7203598","15.1813","0.0006","17.6908","0.0007","35.4575","0.0014","90","","90","","90","","9522.8","0.7","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","η^5^-cyclopentadienyl(pentafluorophenyl)(triphenylphosphane)palladium(II)","","- C29 H20 F5 P Pd -","- C29 H20 F5 P Pd -","- C464 H320 F80 P16 Pd16 -","16","2","","Althoff, Gerhard; Ruiz, José; Rodríguez, Venancio; López, Gregorio; Pérez, José; Janiak, Christoph","Can a single C‒H⋯F‒C hydrogen bond make a difference? Assessing the H⋯F bond strength from 2-D ^1^H-^19^F CP/MAS NMR","CrystEngComm","2006","8","9","662","665","10.1039/b610718b","","","0.71073","MoKα","","0.0389","0.035","","","0.0896","0.0931","","","","","","0.821","","","","has coordinates","218381","2020-10-21","18:00:00",""
"7203604","16.9297","0.0012","16.9297","0.0012","6.7285","0.0006","90","","90","","90","","1928.5","0.3","298","2","298","2","","","","","","","","6","P 42/n m c :2","-P 4ac 2a","137","","","","- C18 H19 Ag4 I4 N17 O12 -","- C18 H16 Ag4 I4 N17 O12 -","- C36 H32 Ag8 I8 N34 O24 -","2","0.125","","Lin, Chih-Yuan; Chan, Zhi-Kai; Yeh, Chun-Wei; Wu, Chia-Jun; Chen, Jhy-Der; Wang, Ju-Chun","Roles of I?I and Ag?I interactions on the self-assembly of Ag(i) complexes containing 2-amino-5-iodopyrimidine; formation of the unique Ag?I?I?Ag interaction","CrystEngComm","2006","8","11","841","","10.1039/b611044d","","","0.71073","MoKα","","0.032","0.0222","","","0.0466","0.0492","","","","","","1.04","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203605","18.711","0.003","18.711","0.003","22.584","0.003","90","","90","","90","","7907","2","298","2","298","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C4 H4 Ag F6 I N3 P -","- C4 H4 Ag F6 I N3 P -","- C64 H64 Ag16 F96 I16 N48 P16 -","16","1","","Lin, Chih-Yuan; Chan, Zhi-Kai; Yeh, Chun-Wei; Wu, Chia-Jun; Chen, Jhy-Der; Wang, Ju-Chun","Roles of I?I and Ag?I interactions on the self-assembly of Ag(i) complexes containing 2-amino-5-iodopyrimidine; formation of the unique Ag?I?I?Ag interaction","CrystEngComm","2006","8","11","841","","10.1039/b611044d","","","0.71073","MoKα","","0.0995","0.0481","","","0.103","0.1133","","","","","","1.034","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203606","19.1267","0.0017","11.4655","0.0009","9.0154","0.0013","90","","90","","90","","1977.1","0.4","295","2","298","2","","","","","","","","7","P n n a","-P 2a 2bc","52","","","","- C4 H4 Ag Cl I N3 O4 -","- C4 H4 Ag Cl I N3 O4 -","- C32 H32 Ag8 Cl8 I8 N24 O32 -","8","1","","Lin, Chih-Yuan; Chan, Zhi-Kai; Yeh, Chun-Wei; Wu, Chia-Jun; Chen, Jhy-Der; Wang, Ju-Chun","Roles of I?I and Ag?I interactions on the self-assembly of Ag(i) complexes containing 2-amino-5-iodopyrimidine; formation of the unique Ag?I?I?Ag interaction","CrystEngComm","2006","8","11","841","","10.1039/b611044d","","","0.71073","MoKα","","0.0791","0.0501","","","0.0983","0.1091","","","","","","1.052","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203607","12.418","0.0013","21.168","0.002","15.019","0.0016","90","","111.75","0.002","90","","3666.9","0.7","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30.75 H28.75 Ag3 Cl0.5 N11.75 O9 -","- C30.75 H28.75 Ag3 Cl0.5 N11.75 O9 -","- C123 H115 Ag12 Cl2 N47 O36 -","4","1","","Bianca Antonioli; Jack K. Clegg; David J. Bray; Kerstin Gloe; Karsten Gloe; Holger Heßke; Leonard F. Lindoy","An unprecedented bridging [Ag<small><sub>2</sub></small>(NO<small><sub>3</sub></small>)<small><sub>6</sub></small>]<small><sup>4−</sup></small> anion as a component of an infinite silver(<small>I</small>) molecular ladder incorporating a dinuclear cationic silver complex of a bis-dipyridylamine ligand","CrystEngComm","2006","8","10","748","","10.1039/b611270f","","","0.71073","MoKα","","0.0508","0.0335","","","0.0755","0.0819","","","","","","1.025","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7203608","7.5821","0.0007","7.7098","0.0007","16.7833","0.0016","92.261","0.002","93.43","0.002","110.97","0.001","912.52","0.15","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H34 Mn N4 O14 S2 -","- C34 H34 Mn N4 O14 S2 -","- C34 H34 Mn N4 O14 S2 -","1","0.5","","Zhang, Li-Ping; Zhu, Long-Guan","Monodentate function of the 4,4?-bipyridine that systematically occurs in the 4-sulfobenzoate manganese(ii) complexes: syntheses, crystal structures, and properties","CrystEngComm","2006","8","11","815","","10.1039/b611300a","","","0.71073","MoKα","","0.0651","0.0594","","","0.1583","0.1689","","","","","","1.103","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203609","7.1234","0.0005","18.3038","0.0014","12.4646","0.0009","90","","99.972","0.001","90","","1600.6","0.2","295","2","295","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H36 Mn N4 O13 S -","- C27 H36 Mn N4 O13 S -","- C54 H72 Mn2 N8 O26 S2 -","2","1","","Zhang, Li-Ping; Zhu, Long-Guan","Monodentate function of the 4,4?-bipyridine that systematically occurs in the 4-sulfobenzoate manganese(ii) complexes: syntheses, crystal structures, and properties","CrystEngComm","2006","8","11","815","","10.1039/b611300a","","","0.71073","MoKα","","0.0595","0.0502","","","0.0886","0.0933","","","","","","1.041","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203610","11.7049","0.0007","7.2824","0.0004","13.4553","0.0008","90","","114.163","0.001","90","","1046.44","0.11","295","2","295","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H22 Mn N2 O10 S -","- C17 H22 Mn N2 O10 S -","- C34 H44 Mn2 N4 O20 S2 -","2","1","","Zhang, Li-Ping; Zhu, Long-Guan","Monodentate function of the 4,4?-bipyridine that systematically occurs in the 4-sulfobenzoate manganese(ii) complexes: syntheses, crystal structures, and properties","CrystEngComm","2006","8","11","815","","10.1039/b611300a","","","0.71073","MoKα","","0.0353","0.0351","","","0.0851","0.0853","","","","","","1.121","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203611","14.4525","0.0004","20.8624","0.0007","7.8359","0.0002","90","","109.113","0.0017","90","","2232.39","0.11","110","2","110","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C40 H30 Cl2 I6 N8 -","- C40 H30 Cl2 I6 N8 -","- C80 H60 Cl4 I12 N16 -","2","0.25","","Goldberg, Israel; Muniappan, Sankar; George, Sumod; Lipstman, Sophia","Self-assembly of uniquely structured porphyrin network solids by charged N?H?Cl and N?H?O hydrogen bonds","CrystEngComm","2006","8","11","784","","10.1039/b611384b","","","0.71073","MoKα","","0.0717","0.0484","","","0.1285","0.1451","","","","","","1.073","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203612","28.715","0.0006","24.5928","0.0006","8.1377","0.0002","90","","103.647","0.0017","90","","5584.5","0.2","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H32 N6 O8 Pt -","- C48 H32 N6 O8 Pt -","- C192 H128 N24 O32 Pt4 -","4","0.5","","Goldberg, Israel; Muniappan, Sankar; George, Sumod; Lipstman, Sophia","Self-assembly of uniquely structured porphyrin network solids by charged N?H?Cl and N?H?O hydrogen bonds","CrystEngComm","2006","8","11","784","","10.1039/b611384b","","","0.71073","MoKα","","0.0554","0.039","","","0.0803","0.0853","","","","","","0.952","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203613","9.1433","0.0004","16.1077","0.0006","17.4365","0.0007","114.815","0.002","91.345","0.002","92.087","0.002","2327.22","0.17","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H25 Br4 Cd Cl9 N2 O4 -","- C40 H25 Br4 Cd Cl9 N2 O4 -","- C80 H50 Br8 Cd2 Cl18 N4 O8 -","2","1","","Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Planeix, Jean-Marc; Hosseini, Mir Wais","Molecular tectonics: generation and packing of 1-D coordination networks formed between dibromofluorene based tectons bearing two pyridines and metal halides","CrystEngComm","2006","8","12","883","","10.1039/b611733n","","","0.71073","MoKα","","0.116","0.0623","","","0.1126","0.1262","","","","","","1.017","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203614","9.0994","0.0007","15.7338","0.0013","17.0478","0.0014","112.465","0.002","92.386","0.002","90.89","0.002","2252.2","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H25 Br2 Cl11 Co N2 O4 -","- C40 H25 Br2 Cl11 Co N2 O4 -","- C80 H50 Br4 Cl22 Co2 N4 O8 -","2","1","","Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Planeix, Jean-Marc; Hosseini, Mir Wais","Molecular tectonics: generation and packing of 1-D coordination networks formed between dibromofluorene based tectons bearing two pyridines and metal halides","CrystEngComm","2006","8","12","883","","10.1039/b611733n","","","0.71073","MoKα","","0.0861","0.0589","","","0.1521","0.1644","","","","","","1.05","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203615","9.0953","0.0018","15.939","0.003","17.3","0.004","113.92","0.03","91.97","0.03","91.79","0.03","2288.4","1","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H25 Br2 Cl11 Hg N2 O4 -","- C40 H25 Br2 Cl11 Hg N2 O4 -","- C80 H50 Br4 Cl22 Hg2 N4 O8 -","2","1","","Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Planeix, Jean-Marc; Hosseini, Mir Wais","Molecular tectonics: generation and packing of 1-D coordination networks formed between dibromofluorene based tectons bearing two pyridines and metal halides","CrystEngComm","2006","8","12","883","","10.1039/b611733n","","","0.71073","MoKα","","0.0629","0.0463","","","0.1261","0.1385","","","","","","1.059","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203616","12.75","0.0011","16.1881","0.0014","37.508","0.003","90","","90","","90","","7741.6","1.1","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C38 H23 Br4 Cl3 Hg N2 O4 -","- C38 H23 Br4 Cl3 Hg N2 O4 -","- C304 H184 Br32 Cl24 Hg8 N16 O32 -","8","1","","Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Planeix, Jean-Marc; Hosseini, Mir Wais","Molecular tectonics: generation and packing of 1-D coordination networks formed between dibromofluorene based tectons bearing two pyridines and metal halides","CrystEngComm","2006","8","12","883","","10.1039/b611733n","","","0.71073","MoKα","","0.1117","0.0575","","","0.1149","0.1313","","","","","","1.032","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203617","12.608","0.0009","16.2385","0.0013","37.085","0.003","90","","90","","90","","7592.6","1","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C38 H23 Br2 Cl5 Hg N2 O4 -","- C38 H23 Br2 Cl5 Hg N2 O4 -","- C304 H184 Br16 Cl40 Hg8 N16 O32 -","8","1","","Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Planeix, Jean-Marc; Hosseini, Mir Wais","Molecular tectonics: generation and packing of 1-D coordination networks formed between dibromofluorene based tectons bearing two pyridines and metal halides","CrystEngComm","2006","8","12","883","","10.1039/b611733n","","","0.71073","MoKα","","0.1023","0.0469","","","0.0844","0.0993","","","","","","1.024","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203618","12.741","0.003","15.79","0.003","40.525","0.008","90","","90","","90","","8153","3","173","2","173","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C38 H23 Br2 Cl3 Hg I2 N2 O4 -","- C38 H23 Br2 Cl3 Hg I2 N2 O4 -","- C304 H184 Br16 Cl24 Hg8 I16 N16 O32 -","8","1","","Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Planeix, Jean-Marc; Hosseini, Mir Wais","Molecular tectonics: generation and packing of 1-D coordination networks formed between dibromofluorene based tectons bearing two pyridines and metal halides","CrystEngComm","2006","8","12","883","","10.1039/b611733n","","","0.71073","MoKα","","0.0712","0.0375","","","0.0794","0.0854","","","","","","1.07","","","","has coordinates,has disorder","180367","2020-10-21","18:00:00",""
"7203619","9.1378","0.0014","15.927","0.003","17.21","0.003","114.132","0.006","91.838","0.007","91.495","0.007","2282.5","0.7","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H25 Br4 Cl9 N2 O4 Zn -","- C40 H25 Br4 Cl9 N2 O4 Zn -","- C80 H50 Br8 Cl18 N4 O8 Zn2 -","2","1","","Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Planeix, Jean-Marc; Hosseini, Mir Wais","Molecular tectonics: generation and packing of 1-D coordination networks formed between dibromofluorene based tectons bearing two pyridines and metal halides","CrystEngComm","2006","8","12","883","","10.1039/b611733n","","","0.71073","MoKα","","0.1958","0.0833","","","0.1911","0.2293","","","","","","1.023","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203622","19.8677","0.0014","5.2047","0.0004","13.8276","0.001","90","","128.451","0.002","90","","1119.77","0.15","130","2","130","2","","","","","","","","5","C 1 2 1","C 2y","5","(Ag(SS-chxn))COO\τimes0.5 H2O","","","- C16 H36 Ag2 N4 O5 -","- C16 H36 Ag2 N4 O5 -","- C32 H72 Ag4 N8 O10 -","2","0.5","","Kalf, Irmgard; Braun, Michaela; Wang, Yutian; Englert, Ulli","Homo- and heterochiral coordination polymers of silver with diaminocyclohexane as bridging ligand: The effect of chirality on argentophilic interactions","CrystEngComm","2006","8","12","916","","10.1039/b612027j","","","0.71073","MoKα","","0.0262","0.0254","","","0.0649","0.0656","","","","","","1.043","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203623","10.394","0.004","10.851","0.004","11.268","0.004","90","","106.477","0.006","90","","1218.7","0.8","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(Ag(rac-chxn))COO\τimes2 H2O","","","- C8 H21 Ag N2 O4 -","- C8 H21 Ag N2 O4 -","- C32 H84 Ag4 N8 O16 -","4","1","","Kalf, Irmgard; Braun, Michaela; Wang, Yutian; Englert, Ulli","Homo- and heterochiral coordination polymers of silver with diaminocyclohexane as bridging ligand: The effect of chirality on argentophilic interactions","CrystEngComm","2006","8","12","916","","10.1039/b612027j","","","0.71073","MoKα","","0.0329","0.029","","","0.0737","0.076","","","","","","1.085","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203624","16.793","0.009","8.058","0.004","11.766","0.006","90","","90","","90","","1592.2","1.4","130","2","130","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","(Ag(SS-chxn))BF4\τimes0.33 H2O","","","- C18 H44 Ag3 B3 F12 N6 O -","- C18 H44 Ag3 B3 F12 N6 O -","- C36 H88 Ag6 B6 F24 N12 O2 -","2","0.5","","Kalf, Irmgard; Braun, Michaela; Wang, Yutian; Englert, Ulli","Homo- and heterochiral coordination polymers of silver with diaminocyclohexane as bridging ligand: The effect of chirality on argentophilic interactions","CrystEngComm","2006","8","12","916","","10.1039/b612027j","","","0.71073","MoKα","","0.0684","0.0516","","","0.1307","0.1409","","","","","","1.033","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203625","11.108","0.003","9.137","0.003","9.755","0.003","90","","100.108","0.005","90","","974.7","0.5","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(Ag(rac-chxn))BF4","","","- C6 H14 Ag B F4 N2 -","- C6 H14 Ag B F4 N2 -","- C24 H56 Ag4 B4 F16 N8 -","4","1","","Kalf, Irmgard; Braun, Michaela; Wang, Yutian; Englert, Ulli","Homo- and heterochiral coordination polymers of silver with diaminocyclohexane as bridging ligand: The effect of chirality on argentophilic interactions","CrystEngComm","2006","8","12","916","","10.1039/b612027j","","","0.71073","MoKα","","0.0659","0.0563","","","0.1078","0.1131","","","","","","1.093","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203626","24.132","0.006","6.8438","0.0016","11.751","0.003","90","","93.354","0.004","90","","1937.4","0.8","120","2","120","2","","","","","","","","5","C 1 2 1","C 2y","5","(Ag(SS-chxn))NO3","","","- C6 H14 Ag N3 O3 -","- C6 H14 Ag N3 O3 -","- C48 H112 Ag8 N24 O24 -","8","2","","Kalf, Irmgard; Braun, Michaela; Wang, Yutian; Englert, Ulli","Homo- and heterochiral coordination polymers of silver with diaminocyclohexane as bridging ligand: The effect of chirality on argentophilic interactions","CrystEngComm","2006","8","12","916","","10.1039/b612027j","","","0.71073","MoKα","","0.0552","0.0528","","","0.1471","0.1489","","","","","","1.109","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203627","8.7988","0.0017","8.7709","0.0017","14.151","0.003","90","","100.771","0.004","90","","1072.8","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H9 Dy O9 S -","- C7 H9 Dy O9 S -","- C28 H36 Dy4 O36 S4 -","4","1","","Lu, Zhenda; Wen, Lili; Yao, Jing; Zhu, Huizhen; Meng, Qingjin","Two types of novel layer framework structures assembled from 5-sulfosalicylic acid and lanthanide ions","CrystEngComm","2006","8","11","847","","10.1039/b612147k","","","0.71073","MoKα","","0.0591","0.0488","","","0.1111","0.1142","","","","","","1.067","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203628","15.868","0.004","9.2","0.003","14.955","0.004","90","","90","","90","","2183.2","1.1","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C7 H9 Eu O9 S -","- C7 H9 Eu O9 S -","- C56 H72 Eu8 O72 S8 -","8","1","","Lu, Zhenda; Wen, Lili; Yao, Jing; Zhu, Huizhen; Meng, Qingjin","Two types of novel layer framework structures assembled from 5-sulfosalicylic acid and lanthanide ions","CrystEngComm","2006","8","11","847","","10.1039/b612147k","","","0.71073","MoKα","","0.0414","0.0355","","","0.1062","0.1121","","","","","","0.977","","","","has coordinates,has disorder","180367","2020-10-21","18:00:00",""
"7203629","15.874","0.004","9.161","0.002","14.936","0.004","90","","90","","90","","2172","0.9","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C7 H9 Gd O9 S -","- C7 H9 Gd O9 S -","- C56 H72 Gd8 O72 S8 -","8","1","","Lu, Zhenda; Wen, Lili; Yao, Jing; Zhu, Huizhen; Meng, Qingjin","Two types of novel layer framework structures assembled from 5-sulfosalicylic acid and lanthanide ions","CrystEngComm","2006","8","11","847","","10.1039/b612147k","","","0.71073","MoKα","","0.0381","0.0294","","","0.0816","0.0872","","","","","","0.836","","","","has coordinates,has disorder","180367","2020-10-21","18:00:00",""
"7203630","15.861","0.004","9.269","0.002","14.971","0.004","90","","90","","90","","2201","0.9","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C7 H9 Nd O9 S -","- C7 H9 Nd O9 S -","- C56 H72 Nd8 O72 S8 -","8","1","","Lu, Zhenda; Wen, Lili; Yao, Jing; Zhu, Huizhen; Meng, Qingjin","Two types of novel layer framework structures assembled from 5-sulfosalicylic acid and lanthanide ions","CrystEngComm","2006","8","11","847","","10.1039/b612147k","","","0.71073","MoKα","","0.0333","0.029","","","0.0933","0.0969","","","","","","1.015","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203631","15.877","0.004","9.203","0.002","14.958","0.004","90","","90","","90","","2185.6","0.9","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C56 H72 O72 S8 Sm8 -","- C56 H72 O72 S8 Sm8 -","- C56 H72 O72 S8 Sm8 -","1","0.125","","Lu, Zhenda; Wen, Lili; Yao, Jing; Zhu, Huizhen; Meng, Qingjin","Two types of novel layer framework structures assembled from 5-sulfosalicylic acid and lanthanide ions","CrystEngComm","2006","8","11","847","","10.1039/b612147k","","","0.71073","MoKα","","0.0503","0.0346","","","0.0715","0.0736","","","","","","1.085","","","","has coordinates,has disorder","180367","2020-10-21","18:00:00",""
"7203632","15.882","0.004","9.212","0.002","14.969","0.004","90","","90","","90","","2190","0.9","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C7 H9 O9 S Tb -","- C7 H9 O9 S Tb -","- C56 H72 O72 S8 Tb8 -","8","1","","Lu, Zhenda; Wen, Lili; Yao, Jing; Zhu, Huizhen; Meng, Qingjin","Two types of novel layer framework structures assembled from 5-sulfosalicylic acid and lanthanide ions","CrystEngComm","2006","8","11","847","","10.1039/b612147k","","","0.71073","MoKα","","0.0372","0.0307","","","0.1018","0.1075","","","","","","0.992","","","","has coordinates,has disorder","180367","2020-10-21","18:00:00",""
"7203633","8.782","0.002","8.701","0.002","14.038","0.004","90","","100.73","0.005","90","","1053.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H9 O9 S Yb -","- C7 H9 O9 S Yb -","- C28 H36 O36 S4 Yb4 -","4","1","","Lu, Zhenda; Wen, Lili; Yao, Jing; Zhu, Huizhen; Meng, Qingjin","Two types of novel layer framework structures assembled from 5-sulfosalicylic acid and lanthanide ions","CrystEngComm","2006","8","11","847","","10.1039/b612147k","","","0.71073","MoKα","","0.0494","0.0394","","","0.084","0.0869","","","","","","1.042","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203634","19.1929","0.0013","7.1978","0.0005","24.4277","0.0017","90","","90","","90","","3374.6","0.4","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C13 H20 Cl2 N4 O3 Zn -","- C13 H14 Cl2 N4 O3 Zn -","- C104 H112 Cl16 N32 O24 Zn8 -","8","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","Hydrogen-bonded microporous network, helix and 1-D zigzag chains in MOFs of Zn(ii): studying the effects of ligating topologies, hydrogen bonding backbone and counter-anions","CrystEngComm","2006","8","11","805","","10.1039/b612163m","","","0.71073","MoKα","","0.0622","0.0477","","","0.109","0.1154","","","","","","1.08","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203635","18.3464","0.0017","6.8405","0.0006","24.146","0.002","90","","90","","90","","3030.3","0.5","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C11 H12 Cl2 N4 O2.98 Zn -","- C11 H10 Cl2 N4 O2.98 Zn -","- C88 H80 Cl16 N32 O23.84 Zn8 -","8","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","Hydrogen-bonded microporous network, helix and 1-D zigzag chains in MOFs of Zn(ii): studying the effects of ligating topologies, hydrogen bonding backbone and counter-anions","CrystEngComm","2006","8","11","805","","10.1039/b612163m","","","0.71073","MoKα","","0.0588","0.0448","","","0.0962","0.1013","","","","","","1.097","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203636","10.7579","0.0007","16.5516","0.0011","19.2846","0.0013","90","","96.307","0.001","90","","3413","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H34 N8 O11 Zn2 -","- C30 H34 N8 O11 Zn2 -","- C120 H136 N32 O44 Zn8 -","4","0.5","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","Hydrogen-bonded microporous network, helix and 1-D zigzag chains in MOFs of Zn(ii): studying the effects of ligating topologies, hydrogen bonding backbone and counter-anions","CrystEngComm","2006","8","11","805","","10.1039/b612163m","","","0.71073","MoKα","","0.0339","0.0283","","","0.0739","0.077","","","","","","1.041","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203637","4.8526","0.0005","16.2068","0.0017","24.048","0.002","90","","100.387","0.002","90","","1860.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 N4 O7 S Zn -","- C13 H16 N4 O7 S Zn -","- C52 H64 N16 O28 S4 Zn4 -","4","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","Hydrogen-bonded microporous network, helix and 1-D zigzag chains in MOFs of Zn(ii): studying the effects of ligating topologies, hydrogen bonding backbone and counter-anions","CrystEngComm","2006","8","11","805","","10.1039/b612163m","","","0.71073","MoKα","","0.0461","0.0409","","","0.1214","0.1242","","","","","","1.161","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203638","18.371","0.003","9.8668","0.0016","15.866","0.003","90","","90","","90","","2875.9","0.9","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C11 H10 Cl2 N4 O Zn -","- C11 H10 Cl2 N4 O Zn -","- C88 H80 Cl16 N32 O8 Zn8 -","8","0.5","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","Hydrogen-bonded microporous network, helix and 1-D zigzag chains in MOFs of Zn(ii): studying the effects of ligating topologies, hydrogen bonding backbone and counter-anions","CrystEngComm","2006","8","11","805","","10.1039/b612163m","","","0.71073","MoKα","","0.0317","0.0301","","","0.0731","0.0738","","","","","","1.076","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203639","9.2135","0.0016","12.441","0.002","19.292","0.003","90","","95.447","0.004","90","","2201.4","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 Cl3 N4 O5 Zn -","- C16 H17 Cl3 N4 O5 Zn -","- C64 H68 Cl12 N16 O20 Zn4 -","4","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","Hydrogen-bonded microporous network, helix and 1-D zigzag chains in MOFs of Zn(ii): studying the effects of ligating topologies, hydrogen bonding backbone and counter-anions","CrystEngComm","2006","8","11","805","","10.1039/b612163m","","","0.71073","MoKα","","0.1127","0.0686","","","0.1389","0.1572","","","","","","1.005","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203640","7.7362","0.0014","10.8978","0.0019","21.528","0.004","90","","96.732","0.004","90","","1802.5","0.6","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H20 N4 O9 S Zn -","- C12 H20 N4 O9 S Zn -","- C48 H80 N16 O36 S4 Zn4 -","4","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","Hydrogen-bonded microporous network, helix and 1-D zigzag chains in MOFs of Zn(ii): studying the effects of ligating topologies, hydrogen bonding backbone and counter-anions","CrystEngComm","2006","8","11","805","","10.1039/b612163m","","","0.71073","MoKα","","0.0872","0.0568","","","0.1049","0.1158","","","","","","1.012","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203641","10.873","0.002","11.598","0.002","13.394","0.003","77.732","0.009","77.628","0.005","70.025","0.005","1532.6","0.5","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H38 Cu N4 O14 -","- C25 H32 Cu N4 O14 -","- C50 H64 Cu2 N8 O28 -","2","1","","Doyle, Robert P.; Nieuwenhuyzen, Mark; Kruger, Paul E.","A molecular ?back-flip?: the structural consequences of the crystal-to-crystal phase transition between [(phen)2CuCO3]?11H2O and [(phen)2CuCO3]?7H2O","CrystEngComm","2006","8","12","904","","10.1039/b612319h","","","0.71073","MoKα","","0.0919","0.0625","","","0.1659","0.1844","","","","","","1.069","","","","has coordinates,has disorder","180367","2020-10-21","18:00:00",""
"7203642","9.8564","0.0006","26.1503","0.0012","10.4712","0.0007","90","","105.948","0.005","90","","2595.1","0.3","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H30 Cu N4 O10 -","- C25 H30 Cu N4 O10 -","- C100 H120 Cu4 N16 O40 -","4","1","","Doyle, Robert P.; Nieuwenhuyzen, Mark; Kruger, Paul E.","A molecular ?back-flip?: the structural consequences of the crystal-to-crystal phase transition between [(phen)2CuCO3]?11H2O and [(phen)2CuCO3]?7H2O","CrystEngComm","2006","8","12","904","","10.1039/b612319h","","","0.71073","MoKα","","0.1834","0.0913","","","0.2187","0.3136","","","","","","0.923","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203643","23.59","0.005","8.8353","0.0018","19.166","0.004","90","","90","","90","","3994.7","1.4","120","2","120","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C40 H38 N4 O6 -","- C40 H38 N4 O6 -","- C160 H152 N16 O24 -","4","0.5","","Brooks, Simon J.; Gale, Philip A.; Light, Mark E.","Network formation by a pyrrole functionalized isophthalamide","CrystEngComm","2006","8","12","877","","10.1039/b612524g","","","0.71073","MoKα","","0.1324","0.1142","","","0.3014","0.3131","","","","","","1.3","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203644","11.8342","0.0007","13.163","0.0007","13.4024","0.0008","96.141","0.003","113.484","0.002","113.069","0.003","1673.86","0.18","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H33 N5 O2 -","- C42 H33 N5 O2 -","- C84 H66 N10 O4 -","2","1","","Brooks, Simon J.; Gale, Philip A.; Light, Mark E.","Network formation by a pyrrole functionalized isophthalamide","CrystEngComm","2006","8","12","877","","10.1039/b612524g","","","0.71073","MoKα","","0.1713","0.0846","","","0.1865","0.2223","","","","","","1.029","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203645","10.242","0.0003","14.7567","0.0007","22.8507","0.001","90","","92.363","0.003","90","","3450.7","0.2","120","2","120","2","","","","","","","Simon Brooks","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H36 N4 O3 -","- C43 H36 N4 O3 -","- C172 H144 N16 O12 -","4","1","","Brooks, Simon J.; Gale, Philip A.; Light, Mark E.","Network formation by a pyrrole functionalized isophthalamide","CrystEngComm","2006","8","12","877","","10.1039/b612524g","","","0.71073","MoKα","","0.154","0.0626","","","0.1263","0.1554","","","","","","1.019","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203646","6.5705","0.0011","7.6756","0.0014","12.6098","0.0018","85.165","0.013","76.785","0.013","73.868","0.016","594.58","0.18","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H14 Cl2 N2 -","- C12 H14 Cl2 N2 -","- C24 H28 Cl4 N4 -","2","1","","Łukasz Dobrzycki; Krzysztof Woźniak","On polymorphism and planarity of benzidine dihydrochloride","CrystEngComm","2006","8","11","780","","10.1039/b612605g","","","0.71073","MoKα","","0.0243","0.0218","","","0.0708","0.0734","","","","","","1.115","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203647","6.6652","0.001","7.7196","0.0012","12.572","0.002","84.567","0.014","76.328","0.014","74.007","0.014","603.9","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H14 Cl2 N2 -","- C12 H14 Cl2 N2 -","- C24 H28 Cl4 N4 -","2","1","","Łukasz Dobrzycki; Krzysztof Woźniak","On polymorphism and planarity of benzidine dihydrochloride","CrystEngComm","2006","8","11","780","","10.1039/b612605g","","","0.71073","MoKα","","0.0409","0.0278","","","0.0857","0.094","","","","","","1.007","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203648","4.3029","0.0009","5.7033","0.0009","12.6098","0.0018","100.859","0.013","95.703","0.013","99.229","0.011","297.29","0.09","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H14 Cl2 N2 -","- C12 H14 Cl2 N2 -","- C12 H14 Cl2 N2 -","1","0.5","","Łukasz Dobrzycki; Krzysztof Woźniak","On polymorphism and planarity of benzidine dihydrochloride","CrystEngComm","2006","8","11","780","","10.1039/b612605g","","","0.71073","MoKα","","0.0328","0.0322","","","0.0906","0.0912","","","","","","1.068","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203649","4.3493","0.0008","5.7526","0.0008","12.572","0.002","101.564","0.014","95.572","0.014","98.717","0.01","301.95","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H14 Cl2 N2 -","- C12 H14 Cl2 N2 -","- C12 H14 Cl2 N2 -","1","0.5","","Łukasz Dobrzycki; Krzysztof Woźniak","On polymorphism and planarity of benzidine dihydrochloride","CrystEngComm","2006","8","11","780","","10.1039/b612605g","","","0.71073","MoKα","","0.0339","0.0298","","","0.0875","0.0911","","","","","","1.149","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203650","27.4793","0.0011","6.028","0.0003","7.319","0.0003","90","","90","","90","","1212.36","0.09","120","2","120","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C12 H14 Cl2 N2 -","- C12 H14 Cl2 N2 -","- C48 H56 Cl8 N8 -","4","0.5","","Łukasz Dobrzycki; Krzysztof Woźniak","On polymorphism and planarity of benzidine dihydrochloride","CrystEngComm","2006","8","11","780","","10.1039/b612605g","","","0.71073","MoKα","","0.0294","0.0249","","","0.0785","0.0807","","","","","","1.059","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203651","27.459","0.003","6.0877","0.0008","7.3074","0.001","90","","90","","90","","1221.5","0.3","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C12 H14 Cl2 N2 -","- C12 H14 Cl2 N2 -","- C48 H56 Cl8 N8 -","4","0.5","","Łukasz Dobrzycki; Krzysztof Woźniak","On polymorphism and planarity of benzidine dihydrochloride","CrystEngComm","2006","8","11","780","","10.1039/b612605g","","","0.71073","MoKα","","0.0571","0.0397","","","0.1313","0.1465","","","","","","1.101","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203652","8.884","0.003","40.601","0.011","10.98","0.003","90","","96.18","0.004","90","","3937","2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 N3 O3 S -","- C12 H15 N3 O3 S -","- C144 H180 N36 O36 S12 -","12","3","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Warren, John E.","Structural manipulation through control of hydrogen bonding faces: the effects of cation substitution on the guanidinium sulfonate structure","CrystEngComm","2006","8","12","931","","10.1039/b612883a","","","0.6778","Synchrotron","","0.1088","0.0903","","","0.2096","0.2245","","","","","","1.002","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203653","7.385","0.0002","15.931","0.0005","25.394","0.0011","90","","90","","90","","2987.62","0.18","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H19 N3 O4 S -","- C13 H19 N3 O4 S -","- C104 H152 N24 O32 S8 -","8","1","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Warren, John E.","Structural manipulation through control of hydrogen bonding faces: the effects of cation substitution on the guanidinium sulfonate structure","CrystEngComm","2006","8","12","931","","10.1039/b612883a","","","0.71073","MoKα","","0.1248","0.0559","","","0.1062","0.1283","","","","","","1.025","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203654","11.094","0.0002","10.685","0.0002","12.71","0.0003","90","","102.954","0.001","90","","1468.29","0.05","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C13 H19 N3 O4 S -","- C13 H19 N3 O4 S -","- C52 H76 N12 O16 S4 -","4","1","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Warren, John E.","Structural manipulation through control of hydrogen bonding faces: the effects of cation substitution on the guanidinium sulfonate structure","CrystEngComm","2006","8","12","931","","10.1039/b612883a","","","0.71073","MoKα","","0.0573","0.0382","","","0.0885","0.0973","","","","","","1.042","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203655","8.742","0.0002","28.396","0.0005","10.877","0.0002","90","","92.953","0.001","90","","2696.5","0.09","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 N3 O3 S -","- C12 H15 N3 O3 S -","- C96 H120 N24 O24 S8 -","8","2","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Warren, John E.","Structural manipulation through control of hydrogen bonding faces: the effects of cation substitution on the guanidinium sulfonate structure","CrystEngComm","2006","8","12","931","","10.1039/b612883a","","","0.71073","MoKα","","0.0925","0.0529","","","0.1098","0.1255","","","","","","1.051","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203656","13.581","0.004","30.358","0.011","8.693","0.003","90","","125.803","0.019","90","","2906.8","1.8","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C13 H17 N3 O3 S -","- C13 H17 N3 O3 S -","- C104 H136 N24 O24 S8 -","8","2","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Warren, John E.","Structural manipulation through control of hydrogen bonding faces: the effects of cation substitution on the guanidinium sulfonate structure","CrystEngComm","2006","8","12","931","","10.1039/b612883a","","","0.6894","Synchrotron","","0.0547","0.0447","","","0.1126","0.1178","","","","","","0.99","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203657","54.44","0.03","10.652","0.004","10.105","0.003","90","","90","","90","","5860","4","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H17 N3 O3 S -","- C13 H17 N3 O3 S -","- C208 H272 N48 O48 S16 -","16","2","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Warren, John E.","Structural manipulation through control of hydrogen bonding faces: the effects of cation substitution on the guanidinium sulfonate structure","CrystEngComm","2006","8","12","931","","10.1039/b612883a","","","0.6894","Synchrotron","","0.099","0.0628","","","0.1528","0.1685","","","","","","1.024","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203658","13.045","0.0002","13.718","0.0002","17.847","0.0003","90","","90","","90","","3193.74","0.09","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H23 N3 O4 S -","- C12 H23 N3 O4 S -","- C96 H184 N24 O32 S8 -","8","2","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Warren, John E.","Structural manipulation through control of hydrogen bonding faces: the effects of cation substitution on the guanidinium sulfonate structure","CrystEngComm","2006","8","12","931","","10.1039/b612883a","","","0.71073","MoKα","","0.0963","0.0785","","","0.2162","0.2357","","","","","","1.074","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203659","6.894","0.0001","17.476","0.0004","14.21","0.0003","90","","103.18","0.001","90","","1666.92","0.06","240","2","240","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H25 N3 O4 S -","- C13 H25 N3 O4 S -","- C52 H100 N12 O16 S4 -","4","2","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Warren, John E.","Structural manipulation through control of hydrogen bonding faces: the effects of cation substitution on the guanidinium sulfonate structure","CrystEngComm","2006","8","12","931","","10.1039/b612883a","","","0.71073","MoKα","","0.0705","0.0466","","","0.1206","0.1313","","","","","","1.025","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203660","10.8207","0.0016","13.254","0.002","11.8837","0.0018","90","","103.423","0.002","90","","1657.8","0.4","240","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H25 N3 O4 S -","- C13 H25 N3 O4 S -","- C52 H100 N12 O16 S4 -","4","2","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Warren, John E.","Structural manipulation through control of hydrogen bonding faces: the effects of cation substitution on the guanidinium sulfonate structure","CrystEngComm","2006","8","12","931","","10.1039/b612883a","","","0.6778","Synchrotron","","0.0946","0.0888","","","0.2392","0.2469","","","","","","1.006","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203661","6.4309","0.0005","7.9829","0.0006","16.214","0.0012","90","","92.057","0.002","90","","831.85","0.11","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H13 N3 O3 S -","- C4 H13 N3 O3 S -","- C16 H52 N12 O12 S4 -","4","1","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Warren, John E.","Structural manipulation through control of hydrogen bonding faces: the effects of cation substitution on the guanidinium sulfonate structure","CrystEngComm","2006","8","12","931","","10.1039/b612883a","","","0.6867","Synchrotron","","0.0481","0.044","","","0.1194","0.123","","","","","","1.091","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203662","10.6084","0.0004","11.3449","0.0005","10.0582","0.0004","90","","90","","90","","1210.52","0.09","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C9 H15 N3 O3 S -","- C9 H15 N3 O3 S -","- C36 H60 N12 O12 S4 -","4","1","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Warren, John E.","Structural manipulation through control of hydrogen bonding faces: the effects of cation substitution on the guanidinium sulfonate structure","CrystEngComm","2006","8","12","931","","10.1039/b612883a","","","0.6867","Synchrotron","","0.0395","0.0381","","","0.0986","0.0995","","","","","","1.077","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203663","16.888","0.005","12.43","0.006","19.756","0.006","90","","96.98","0.02","90","","4116","3","294","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H22 Br2 Cl10 N2 -","- C37 H22 Br2 Cl10 N2 -","- C148 H88 Br8 Cl40 N8 -","4","1","","Ashmore, Jason; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Inclusion of polyhalomethanes by a tetrahalogenated diquinoline host","CrystEngComm","2006","8","12","923","","10.1039/b613537d","","","0.71073","MoKα","","","0.071","","","","0.091","","","","","","1.93","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203664","20.081","0.006","14.094","0.004","12.065","0.003","90","","90","","90","","3414.7","1.6","294","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C36 H23 Br5 Cl2 N2 -","- C36 H23 Br5 Cl2 N2 -","- C144 H92 Br20 Cl8 N8 -","4","1","","Ashmore, Jason; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Inclusion of polyhalomethanes by a tetrahalogenated diquinoline host","CrystEngComm","2006","8","12","923","","10.1039/b613537d","","","0.71073","MoKα","","","0.064","","","","0.065","","","","","","1.72","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203665","18.522","0.006","8.282","0.001","19.622","0.006","90","","100.02","0.01","90","","2964.1","1.4","294","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H22 Br2 Cl2 N2 -","- C35 H24 Br2 Cl2 N2 -","- C140 H96 Br8 Cl8 N8 -","4","0.5","","Ashmore, Jason; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Inclusion of polyhalomethanes by a tetrahalogenated diquinoline host","CrystEngComm","2006","8","12","923","","10.1039/b613537d","","","0.71073","MoKα","","","0.046","","","","0.056","","","","","","1.65","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203666","10.383","0.003","9.893","0.001","13.212","0.003","90","","98.41","0.01","90","","1342.5","0.5","294","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H24 Cl2 N2 -","- C35 H24 Cl2 N2 -","- C70 H48 Cl4 N4 -","2","1","","Ashmore, Jason; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Inclusion of polyhalomethanes by a tetrahalogenated diquinoline host","CrystEngComm","2006","8","12","923","","10.1039/b613537d","","","0.71073","MoKα","","","0.042","","","","0.051","","","","","","1.58","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203667","5.7952","0.001","8.3871","0.0014","8.7671","0.0014","72.308","0.003","76.989","0.003","86.488","0.004","395.54","0.11","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H20 N4 -","- C18 H20 N4 -","- C18 H20 N4 -","1","0.5","","Lai, Chian Sing; Mohr, Fabian; Tiekink, Edward R. T.","The importance of C–H⋯N, C–H⋯π and π⋯π interactions in the crystal packing of the isomeric N^1^,N^4^-bis((pyridine-n-yl)methylene)-cyclohexane-1,4-diamines, n = 2, 3 and 4","CrystEngComm","2006","8","12","909","915","10.1039/b613603f","","","0.71069","MoKα","","0.072","0.056","","","0.161","0.172","","","","","","1.02","","","","has coordinates","275108","2022-05-06","15:12:09",""
"7203668","6.0705","0.0012","5.6162","0.0011","23.339","0.005","90","","93.573","0.004","90","","794.2","0.3","223","2","223","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 N4 -","- C18 H20 N4 -","- C36 H40 N8 -","2","0.5","","Lai, Chian Sing; Mohr, Fabian; Tiekink, Edward R. T.","The importance of C–H⋯N, C–H⋯π and π⋯π interactions in the crystal packing of the isomeric N^1^,N^4^-bis((pyridine-n-yl)methylene)-cyclohexane-1,4-diamines, n = 2, 3 and 4","CrystEngComm","2006","8","12","909","915","10.1039/b613603f","","","0.71069","MoKα","","0.096","0.067","","","0.165","0.178","","","","","","1.15","","","","has coordinates","275108","2022-05-06","15:12:20",""
"7203669","11.7026","0.0013","5.5972","0.0006","12.3769","0.0014","90","","94.702","0.003","90","","807.98","0.15","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 N4 -","- C18 H20 N4 -","- C36 H40 N8 -","2","0.5","","Lai, Chian Sing; Mohr, Fabian; Tiekink, Edward R. T.","The importance of C–H⋯N, C–H⋯π and π⋯π interactions in the crystal packing of the isomeric N^1^,N^4^-bis((pyridine-n-yl)methylene)-cyclohexane-1,4-diamines, n = 2, 3 and 4","CrystEngComm","2006","8","12","909","915","10.1039/b613603f","","","0.71069","MoKα","","0.095","0.058","","","0.154","0.19","","","","","","1.04","","","","has coordinates","275108","2022-05-06","15:12:22",""
"7203670","10.882","0.004","14.319","0.005","14.827","0.005","62.896","0.005","89.982","0.006","69.685","0.005","1893.9","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H21 Hg2 I4 N6 O6 -","- C33 H21 Hg2 I4 N6 O6 -","- C66 H42 Hg4 I8 N12 O12 -","2","1","","Xing-Qiang Lü; Mei Pan; Jian-Rong He; Yue-Peng Cai; Bei-Sheng Kang; Cheng-Yong Su","Three-fold parallel interlocking of 2-D brick-wall networks showing ladder-like unsymmetrical Borromean links","CrystEngComm","2006","8","11","827","","10.1039/b613667m","","","0.71073","MoKα","","0.06","0.0423","","","0.102","0.1107","","","","","","1.025","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203671","7.6003","0.0008","16.7695","0.0017","9.7696","0.001","90","","101.522","0.002","90","","1220.1","0.2","300","2","300","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 N2 Ni O4 -","- C12 H10 N2 Ni O4 -","- C48 H40 N8 Ni4 O16 -","4","1","","Hogben, Timothy; Douthwaite, Richard E.; Gillie, Lisa J.; Whitwood, Adrian C.","Synthesis of a neutral metal?organic network solid [(MeIm)Ni(BDC)] (where MeIm = methylimidazole and BDC = 1,4-benzenedicarboxylate) in an ionic liquid solvent 1-methyl-3-propylimidazolium bromide","CrystEngComm","2006","8","12","866","","10.1039/b614104h","","","0.71073","MoKα","","0.0495","0.0376","","","0.0801","0.084","","","","","","1.071","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203672","10.8755","0.0005","19.129","0.002","19.3765","0.0018","90","","98.745","0.005","90","","3984.2","0.6","208","2","208","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H40 Eu2 N12 O18 W -","- C22 H36 Eu2 N12 O17 W -","- C88 H144 Eu8 N48 O68 W4 -","4","1","","Stefania Tanase; Ferry Prins; Jan M. M. Smits; René de Gelder","Three-dimensional Ln<small><sup>III</sup></small>‒W<small><sup>IV</sup></small> complexes with cyanido and carboxylato bridges","CrystEngComm","2006","8","12","863","","10.1039/b614215j","","","0.71073","MoKα","","0.0246","0.0203","","0.045","0.0435","0.045","","","1.104","","","1.104","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203673","10.9221","0.0005","19.266","0.002","19.4537","0.0009","90","","98.385","0.005","90","","4049.8","0.5","208","2","208","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H44 N12 Nd2 O17 W -","- C25 H42 N12 Nd2 O17 W -","- C100 H168 N48 Nd8 O68 W4 -","4","1","","Stefania Tanase; Ferry Prins; Jan M. M. Smits; René de Gelder","Three-dimensional Ln<small><sup>III</sup></small>‒W<small><sup>IV</sup></small> complexes with cyanido and carboxylato bridges","CrystEngComm","2006","8","12","863","","10.1039/b614215j","","","0.71073","MoKα","","0.0345","0.0254","","0.0585","0.0555","0.0585","","","1.131","","","1.131","","","","has coordinates,has disorder","180367","2020-10-21","18:00:00",""
"7203693","26.6252","0.0006","26.6252","","14.6744","0.0007","90","","90","","120","","9009","0.5","223","2","223","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C9.33 H18.33 Cl N3 S6 Sb -","- C9.33333 H18 Cl0.99 N3 S6 Sb -","- C168 H324 Cl17.82 N54 S108 Sb18 -","18","1","","Liu, Yu; Tiekink, Edward R. T.","Supramolecular associations in binary antimony(iii) dithiocarbamates: influence of ligand steric bulk, influence on coordination geometry, and competition with hydrogen-bonding","CrystEngComm","2005","7","2","20","","10.1039/b416493h","","","0.71069","MoKα","","0.054","0.043","","","0.111","0.118","","","","","","1.03","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203694","10.3916","0.0006","11.466","0.0007","13.752","0.0009","95.617","0.001","110.929","0.001","106.614","0.002","1429.47","0.15","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H31 Cl3 N3 S6 Sb -","- C19 H31 Cl3 N3 S6 Sb -","- C38 H62 Cl6 N6 S12 Sb2 -","2","1","","Liu, Yu; Tiekink, Edward R. T.","Supramolecular associations in binary antimony(iii) dithiocarbamates: influence of ligand steric bulk, influence on coordination geometry, and competition with hydrogen-bonding","CrystEngComm","2005","7","2","20","","10.1039/b416493h","","","0.71069","MoKα","","0.05","0.039","","","0.085","0.09","","","","","","1.04","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203695","10.908","0.0006","13.5802","0.0007","18.8708","0.001","90","","99.305","0.001","90","","2758.6","0.3","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H36 N3 S6 Sb -","- C21 H36 N3 S6 Sb -","- C84 H144 N12 S24 Sb4 -","4","1","","Liu, Yu; Tiekink, Edward R. T.","Supramolecular associations in binary antimony(iii) dithiocarbamates: influence of ligand steric bulk, influence on coordination geometry, and competition with hydrogen-bonding","CrystEngComm","2005","7","2","20","","10.1039/b416493h","","","0.71069","MoKα","","0.135","0.071","","","0.115","0.135","","","","","","1.02","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203696","9.8634","0.0006","13.1293","0.0007","17.145","0.0009","93.689","0.001","99.276","0.001","105.504","0.001","2098","0.2","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H42 N3 S6 Sb -","- C45 H42 N3 S6 Sb -","- C90 H84 N6 S12 Sb2 -","2","1","","Liu, Yu; Tiekink, Edward R. T.","Supramolecular associations in binary antimony(iii) dithiocarbamates: influence of ligand steric bulk, influence on coordination geometry, and competition with hydrogen-bonding","CrystEngComm","2005","7","2","20","","10.1039/b416493h","","","0.71069","MoKα","","0.058","0.045","","","0.098","0.107","","","","","","1.02","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203698","10.0685","0.0002","12.7121","0.0003","10.079","0.0002","90","","115.515","0.001","90","","1164.22","0.04","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N-(2-hydroxyethyl)ferrocene carboxamide","N-(2-hydroxyethyl)ferrocene carboxamide","","- C13 H15 Fe N O2 -","- C13 H15 Fe N O2 -","- C52 H60 Fe4 N4 O8 -","4","1","","Petr Štěpnička; Ivana Císařová","Preparation and hydrogen bonding in ferrocenecarboxamides substituted with 2-hydroxyethyl groups at the amide nitrogen atoms","CrystEngComm","2005","7","4","37","","10.1039/b417062h","","","0.71073","MoKα","","0.0343","0.0274","","","0.0645","0.0681","","","","","","1.056","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203699","9.0886","0.0002","10.0348","0.0001","16.761","0.0003","90","","90","","90","","1528.64","0.05","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","N,N'-bis(2-hydroxyethyl)ferrocene 1,1-dicarboxamide","N,N'-bis(2-hydroxyethyl)ferrocene 1,1-dicarboxamide","","- C16 H20 Fe N2 O4 -","- C16 H20 Fe N2 O4 -","- C64 H80 Fe4 N8 O16 -","4","1","","Petr Štěpnička; Ivana Císařová","Preparation and hydrogen bonding in ferrocenecarboxamides substituted with 2-hydroxyethyl groups at the amide nitrogen atoms","CrystEngComm","2005","7","4","37","","10.1039/b417062h","","","0.71073","MoKα","","0.0196","0.0191","","","0.0499","0.0502","","","","","","1.067","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203700","12.697","0.0002","10.017","0.0002","22.015","0.0003","90","","92.601","0.001","90","","2797.11","0.08","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N,N-bis(2-hydroxyethyl)ferrocene carboxamide","N,N-bis(2-hydroxyethyl)ferrocene carboxamide","","- C15 H19 Fe N O3 -","- C15 H19 Fe N O3 -","- C120 H152 Fe8 N8 O24 -","8","2","","Petr Štěpnička; Ivana Císařová","Preparation and hydrogen bonding in ferrocenecarboxamides substituted with 2-hydroxyethyl groups at the amide nitrogen atoms","CrystEngComm","2005","7","4","37","","10.1039/b417062h","","","0.71073","MoKα","","0.0678","0.0536","","","0.1343","0.1412","","","","","","1.08","","","","has coordinates,has disorder","180368","2020-10-21","18:00:00",""
"7203701","21.35","0.0003","7.75","0.0004","15.596","0.0005","90","","130.317","0.002","90","","1967.61","0.14","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","N,N,N',N'-tetrakis(2-hydroxyethyl)-1,1'-ferrocenedicarboxamide","N,N,N',N'-tetrakis(2-hydroxyethyl)-1,1'-ferrocenedicarboxamide","","- C20 H28 Fe N2 O6 -","- C20 H28 Fe N2 O6 -","- C80 H112 Fe4 N8 O24 -","4","0.5","","Petr Štěpnička; Ivana Císařová","Preparation and hydrogen bonding in ferrocenecarboxamides substituted with 2-hydroxyethyl groups at the amide nitrogen atoms","CrystEngComm","2005","7","4","37","","10.1039/b417062h","","","0.71073","MoKα","","0.0553","0.0365","","","0.0718","0.0785","","","","","","1.032","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203702","17.404","0.004","12.702","0.003","15.22","0.005","90","","100.46","0.02","90","","3308.7","1.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H10 Fe Na3 O17 -","- C6 H10 Fe Na3 O17 -","- C48 H80 Fe8 Na24 O136 -","8","1","","Armentano, Donatella; De Munno, Giovanni; Lloret, Francesc; Julve, Miguel","Bis and tris(oxalato)ferrate(iii) complexes as precursors of polynuclear compounds","CrystEngComm","2005","7","7","57","","10.1039/b417251e","","","0.71073","MoKα","","0.0712","0.057","","","0.1434","0.1534","","","","","","1.097","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203703","13.231","0.003","13.395","0.003","15.823","0.003","85.6","0.03","86.42","0.03","62.85","0.03","2486.8","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H45 As2 Fe O12.5 -","- C53 H44 As2 Fe O12.5 -","- C106 H88 As4 Fe2 O25 -","2","1","","Armentano, Donatella; De Munno, Giovanni; Lloret, Francesc; Julve, Miguel","Bis and tris(oxalato)ferrate(iii) complexes as precursors of polynuclear compounds","CrystEngComm","2005","7","7","57","","10.1039/b417251e","","","0.71073","MoKα","","0.073","0.0466","","","0.1213","0.1378","","","","","","0.967","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203704","14.565","0.003","13.618","0.003","18.393","0.004","90","","111.28","0.03","90","","3399.4","1.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H30 As Fe N2 O9 -","- C38 H30 As Fe N2 O9 -","- C152 H120 As4 Fe4 N8 O36 -","4","1","","Armentano, Donatella; De Munno, Giovanni; Lloret, Francesc; Julve, Miguel","Bis and tris(oxalato)ferrate(iii) complexes as precursors of polynuclear compounds","CrystEngComm","2005","7","7","57","","10.1039/b417251e","","","0.71073","MoKα","","0.0549","0.0398","","","0.0923","0.1003","","","","","","1.014","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203705","9.4991","0.0019","14.279","0.003","14.557","0.003","103.57","0.03","99.94","0.03","105.77","0.03","1787.2","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H30 As Fe N2 O9 -","- C40 H28 As Fe N2 O9 -","- C80 H56 As2 Fe2 N4 O18 -","2","1","","Armentano, Donatella; De Munno, Giovanni; Lloret, Francesc; Julve, Miguel","Bis and tris(oxalato)ferrate(iii) complexes as precursors of polynuclear compounds","CrystEngComm","2005","7","7","57","","10.1039/b417251e","","","0.71073","MoKα","","0.0865","0.0525","","","0.1241","0.1424","","","","","","1.036","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203706","10.436","0.002","29.919","0.006","14.882","0.003","90","","99.47","0.03","90","","4583.4","1.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H38 Fe2 N6 Na O19 -","- C42 H28 Fe2 N6 Na O19 -","- C168 H112 Fe8 N24 Na4 O76 -","4","1","","Armentano, Donatella; De Munno, Giovanni; Lloret, Francesc; Julve, Miguel","Bis and tris(oxalato)ferrate(iii) complexes as precursors of polynuclear compounds","CrystEngComm","2005","7","7","57","","10.1039/b417251e","","","0.71073","MoKα","","0.1441","0.0794","","","0.2155","0.2587","","","","","","0.985","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203709","7.2504","0.0016","9.346","0.002","11.785","0.003","108.4","0.003","98.483","0.003","108.72","0.003","689.6","0.3","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H10 Cl2 Cu N2 O5 -","- C12 H10 Cl2 Cu N2 O5 -","- C24 H20 Cl4 Cu2 N4 O10 -","2","1","","Tynan, Eithne; Jensen, Paul; Lees, Anthea C.; Moubaraki, Boujemaa; Murray, Keith S.; Kruger, Paul E.","The role of acid in the formation of hydrogen-bonded networks featuring 4,4?-dicarboxy-2,2?-bipyridine (H2dcbp): Synthesis, structural and magnetic characterisation of {[Cu(H2dcbp)Cl2]�H2O}2 and [Cu(H2dcbp)(NO3)2(H2O)]","CrystEngComm","2005","7","13","90","","10.1039/b417520d","","","0.71073","MoKα","","0.0364","0.0337","","","0.0933","0.0947","","","","","","1.096","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203710","6.4404","0.0004","9.7045","0.0006","13.6309","0.0008","76.339","0.001","84.205","0.001","78.894","0.001","810.96","0.09","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 Cu N4 O11 -","- C12 H10 Cu N4 O11 -","- C24 H20 Cu2 N8 O22 -","2","1","","Tynan, Eithne; Jensen, Paul; Lees, Anthea C.; Moubaraki, Boujemaa; Murray, Keith S.; Kruger, Paul E.","The role of acid in the formation of hydrogen-bonded networks featuring 4,4?-dicarboxy-2,2?-bipyridine (H2dcbp): Synthesis, structural and magnetic characterisation of {[Cu(H2dcbp)Cl2]�H2O}2 and [Cu(H2dcbp)(NO3)2(H2O)]","CrystEngComm","2005","7","13","90","","10.1039/b417520d","","","0.71073","MoKα","","0.0547","0.0478","","","0.1221","0.1255","","","","","","1.06","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203711","17.974","0.006","19.563","0.006","18.139","0.006","90","","114.41","0.01","90","","5808","3","293","2","293","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C42 H26 Ag2 F6 N8 O6 S2 -","- C42 H24 Ag2 F6 N8 O6 S2 -","- C168 H96 Ag8 F24 N32 O24 S8 -","4","1","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Porta, Francesca","Four new 2D porous polymeric frames from the self-assembly of silver triflate and silver tosylate with free-base and Zn-metallated 5,10,15,20-tetra(4-pyridyl)porphyrin","CrystEngComm","2005","7","11","78","","10.1039/b417709f","","","0.71073","MoKα","","0.1463","0.0553","","0.1432","0.1221","","","","0.764","","","","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203712","22.5979","0.0012","9.886","0.0006","22.9546","0.0013","90","","103.113","0.002","90","","4994.4","0.5","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C78 H62 Ag2 Cl4 N12 O6 S2 -","- C78 H60 Ag2 Cl4 N12 O6.004 S2 -","- C156 H120 Ag4 Cl8 N24 O12.008 S4 -","2","0.5","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Porta, Francesca","Four new 2D porous polymeric frames from the self-assembly of silver triflate and silver tosylate with free-base and Zn-metallated 5,10,15,20-tetra(4-pyridyl)porphyrin","CrystEngComm","2005","7","11","78","","10.1039/b417709f","","","0.71073","MoKα","","0.1018","0.0712","","0.2631","0.2357","","","","1.093","","","","","","","has coordinates,has disorder","180368","2020-10-21","18:00:00",""
"7203713","24.888","0.009","15.171","0.005","32.904","0.011","90","","98.9","0.01","90","","12274","7","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C89 H57 Ag2 F6 N17 O6 S2 Zn2 -","- C89 H57 Ag2 F6 N17 O6 S2 Zn2 -","- C356 H228 Ag8 F24 N68 O24 S8 Zn8 -","4","1","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Porta, Francesca","Four new 2D porous polymeric frames from the self-assembly of silver triflate and silver tosylate with free-base and Zn-metallated 5,10,15,20-tetra(4-pyridyl)porphyrin","CrystEngComm","2005","7","11","78","","10.1039/b417709f","","","0.71073","MoKα","","0.097","0.0611","","","0.1534","0.1628","","","","","","0.868","","","","has coordinates,has disorder","180368","2020-10-21","18:00:00",""
"7203714","9.782","0.001","18.303","0.003","18.832","0.003","99.82","0.01","99.17","0.01","96.74","0.01","3243.4","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H47 Ag2 N9 O7 S2 Zn -","- C58 H47 Ag2 N9 O7 S2 Zn -","- C116 H94 Ag4 N18 O14 S4 Zn2 -","2","1","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Porta, Francesca","Four new 2D porous polymeric frames from the self-assembly of silver triflate and silver tosylate with free-base and Zn-metallated 5,10,15,20-tetra(4-pyridyl)porphyrin","CrystEngComm","2005","7","11","78","","10.1039/b417709f","","","0.71073","MoKα","","0.1023","0.0615","","0.171","0.1582","","","","0.971","","","","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203715","16.27","0.0006","11.3714","0.0004","16.604","0.0006","90","","91.6986","0.0016","90","","3070.6","0.19","150","2","150","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","Bis(2,6-bis(3-(hydroxymethyl)pyrazol-1-yl)pyridine)iron(ii) diperchlorate, alpha polymorph","Bis[2,6-bis{3-(hydroxymethyl)pyrazol-1-yl}pyridine]iron(II) diperchlorate, alpha polymorph","","- C26 H26 Cl2 Fe N10 O12 -","- C26 H26 Cl2 Fe N10 O12 -","- C104 H104 Cl8 Fe4 N40 O48 -","4","1","","Jérôme Elhaïk; Colin A. Kilner; Malcolm A. Halcrow","An iron(ii) complex salt that crystallises in three crystal forms, one of which undergoes a sterically controlled incomplete spin-state transition on cooling","CrystEngComm","2005","7","23","151","","10.1039/b417718e","","","0.71073","MoKα","","0.0713","0.0621","","","0.1697","0.1822","","","","","","1.035","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203716","20.1578","0.0002","10.0249","0.0001","16.2228","0.0001","90","","108.316","0.0008","90","","3112.22","0.05","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Bis(2,6-bis(3-(hydroxymethyl)pyrazol-1-yl)pyridine)iron(ii) diperchlorate, beta polymorph","Bis[2,6-bis{3-(hydroxymethyl)pyrazol-1-yl}pyridine]iron(II) diperchlorate, beta polymorph","","- C26 H26 Cl2 Fe N10 O12 -","- C26 H26 Cl2 Fe N10 O12 -","- C104 H104 Cl8 Fe4 N40 O48 -","4","1","","Jérôme Elhaïk; Colin A. Kilner; Malcolm A. Halcrow","An iron(ii) complex salt that crystallises in three crystal forms, one of which undergoes a sterically controlled incomplete spin-state transition on cooling","CrystEngComm","2005","7","23","151","","10.1039/b417718e","","","0.71073","MoKα","","0.0445","0.0388","","","0.1051","0.111","","","","","","1.028","","","","has coordinates,has disorder","180368","2020-10-21","18:00:00",""
"7203717","22.8535","0.0002","11.6789","0.0001","27.9986","0.0003","90","","107.612","0.0005","90","","7122.65","0.12","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Bis(2,6-bis(3-hydroxymethylpyrazol-1-yl)pyridine)iron(ii) diperchlorate acetonitrile solvate","Bis[2,6-bis(3-hydroxymethylpyrazol-1-yl)pyridine]iron(II) diperchlorate acetonitrile solvate","","- C27.5 H28.25 Cl2 Fe N10.75 O12 -","- C28.25 H26 Cl2 Fe N10 O12 -","- C226 H208 Cl16 Fe8 N80 O96 -","8","1","","Jérôme Elhaïk; Colin A. Kilner; Malcolm A. Halcrow","An iron(ii) complex salt that crystallises in three crystal forms, one of which undergoes a sterically controlled incomplete spin-state transition on cooling","CrystEngComm","2005","7","23","151","","10.1039/b417718e","","","0.71073","MoKα","","0.1025","0.0749","","","0.2076","0.2341","","","","","","1.088","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7203718","22.4565","0.0002","11.604","0.0001","27.9163","0.0003","90","","107.381","0.0004","90","","6942.41","0.11","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Bis(2,6-bis(3-hydroxymethylpyrazol-1-yl)pyridine)iron(ii) diperchlorate acetonitrile solvate","Bis[2,6-bis(3-hydroxymethylpyrazol-1-yl)pyridine]iron(II) diperchlorate acetonitrile solvate","","- C27.5 H28.25 Cl2 Fe N10.75 O12 -","- C28.25 H26 Cl2 Fe N10 O12 -","- C226 H208 Cl16 Fe8 N80 O96 -","8","1","","Jérôme Elhaïk; Colin A. Kilner; Malcolm A. Halcrow","An iron(ii) complex salt that crystallises in three crystal forms, one of which undergoes a sterically controlled incomplete spin-state transition on cooling","CrystEngComm","2005","7","23","151","","10.1039/b417718e","","","0.71073","MoKα","","0.109","0.0929","","","0.2487","0.2691","","","","","","1.094","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7203720","10.9119","0.0002","11.0748","0.0002","14.0183","0.0003","67.817","0.0009","70.609","0.001","65.733","0.001","1398.34","0.05","150","1","150","1","","","","","","","Synthesised by authors, see text","6","P -1","-P 1","2","(Trisaqua(18-crown-6)gadolinium(iii)) hexacyanoferrate(iii) dihydrate","[Trisaqua(18-crown-6)gadolinium(III)] hexacyanoferrate(III) dihydrate","","- C18 H34 Fe Gd N6 O11 -","- C18 H34 Fe Gd N6 O11 -","- C36 H68 Fe2 Gd2 N12 O22 -","2","1","","Rajesh Koner; Malabika Nayak; George Ferguson; John N. Low; Christopher Glidewell; Phalguni Misra; Sasankasekhar Mohanta","Strongly hydrogen bonded interlocked infinite double helices in a crown ether based gadolinium(iii) hexacyanoferrate(iii) supramolecule","CrystEngComm","2005","7","19","129","","10.1039/b418173e","","","0.71073","MoKα","","0.0241","0.0217","","","0.0653","0.0666","","","","","","1.201","","","","has coordinates,has disorder","180368","2020-10-21","18:00:00",""
"7203721","7.4613","0.0009","20.3543","0.0019","20.47","0.002","90","","95.439","0.006","90","","3094.8","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H39 Cd1.5 N2 O18 S -","- C21 H39 Cd1.5 N2 O18 S -","- C84 H156 Cd6 N8 O72 S4 -","4","1","","Liu, Qing -Yan; Xu, Li","(H2O)12-containing infinite chain encapsulated in supramolecular open framework built of cadmium(ii), 1,3-di(4-pyridyl)propane and 5-sulfoisophthalic acid monosodium salt","CrystEngComm","2005","7","12","87","","10.1039/b418341j","","","0.71073","MoKα","","0.055","0.0487","","","0.0954","0.0987","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7203722","6.9376","0.0002","7.445","0.0002","9.1267","0.0002","97.732","0.002","103.958","0.002","115.766","0.002","396.24","0.02","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C6 H12 N2 O3 -","- C6 H12 N2 O3 -","- C12 H24 N4 O6 -","2","1","","Fabbiani, Francesca P. A.; Allan, David R.; Parsons, Simon; Pulham, Colin R.","An exploration of the polymorphism of piracetam using high pressure","CrystEngComm","2005","7","29","179","","10.1039/b418976k","","","0.71073","MoKα","","0.0477","0.0414","","0.1173","0.1155","0.1173","","","","","","0.9936","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203723","8.9537","0.0011","5.4541","0.0006","13.61","0.004","90","","104.93","0.02","90","","642.2","0.2","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H10 N2 O2 -","- C6 H10 N2 O2 -","- C24 H40 N8 O8 -","4","1","","Fabbiani, Francesca P. A.; Allan, David R.; Parsons, Simon; Pulham, Colin R.","An exploration of the polymorphism of piracetam using high pressure","CrystEngComm","2005","7","29","179","","10.1039/b418976k","","","0.71073","MoKα","","0.0724","0.0526","","0.1026","0.0957","0.1026","","","","","","1.0911","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203724","6.7254","0.0002","13.2572","0.0004","8.0529","0.0002","90","","98.603","0.002","90","","709.92","0.04","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H10 N2 O2 -","- C6 H10 N2 O2 -","- C24 H40 N8 O8 -","4","1","","Fabbiani, Francesca P. A.; Allan, David R.; Parsons, Simon; Pulham, Colin R.","An exploration of the polymorphism of piracetam using high pressure","CrystEngComm","2005","7","29","179","","10.1039/b418976k","","","0.71073","MoKα","","0.0618","0.0419","","0.0913","0.0842","0.0913","","","","","","0.9736","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7203731","8.868","0.001","9.123","0.001","45.055","0.005","90","","94.413","0.001","90","","3634.3","0.7","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[Ni(terpy)2](PF6)2.DMF","","","- C33 H29 F12 N7 Ni O P2 -","- C33 H29 F12 N7 Ni O P2 -","- C132 H116 F48 N28 Ni4 O4 P8 -","4","1","","McMurtrie, John; Dance, Ian","Engineering grids of metal complexes: development of the 2D M(terpy)2 embrace motif in crystals","CrystEngComm","2005","7","35","216","","10.1039/b500289c","","","0.71069","MoKα","","0.0602","0.0567","","","0.1471","0.1491","","","","","","1.117","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7203732","8.7687","0.0017","8.9641","0.0018","44.959","0.009","90","","90","","90","","3533.9","1.2","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C33 H28 F12 N6 Ni O P2 -","- C33 H28 F12 N6 Ni O P2 -","- C132 H112 F48 N24 Ni4 O4 P8 -","4","1","","McMurtrie, John; Dance, Ian","Engineering grids of metal complexes: development of the 2D M(terpy)2 embrace motif in crystals","CrystEngComm","2005","7","35","216","","10.1039/b500289c","","","0.71073","MoKα","","0.0754","0.074","","","0.1807","0.1816","","","","","","1.161","","","","has coordinates,has disorder","180368","2020-10-21","18:00:00",""
"7203733","8.668","0.005","9.278","0.006","20.214","0.009","78.8","0.04","78.24","0.04","87.93","0.03","1561.2","1.6","294","","","","","","","","","","","7","P -1","-P 1","2","","","","- C30 H24 B2 F8 Fe N6 O3 -","- C30 H24 B2 F8 Fe N6 O3 -","- C60 H48 B4 F16 Fe2 N12 O6 -","2","1","","McMurtrie, John; Dance, Ian","Engineering the metal-terpy grid with complexes containing 4?-hydroxy terpyridine","CrystEngComm","2005","7","36","230","","10.1039/b500989h","","","0.71073","MoKα","","","0.053","","","","0.081","","","","","","1.95","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203734","8.7533","0.001","8.9226","0.001","19.8607","0.0023","90","0.005","99.557","0.005","90","0.005","1529.6","0.3","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","[Ru(terpy)(terpyOH)](BF4)2.H2O","","- C30 H22 B2 F8 N6 O2 Ru -","- C30 H22 B2 F8 N6 O2 Ru -","- C60 H44 B4 F16 N12 O4 Ru2 -","2","1","","McMurtrie, John; Dance, Ian","Engineering the metal-terpy grid with complexes containing 4?-hydroxy terpyridine","CrystEngComm","2005","7","36","230","","10.1039/b500989h","","","0.71069","MoKα","","0.0406","0.0401","","","0.1094","0.1099","","","","","","1.065","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203735","8.737","0.002","9.345","0.003","20.224","0.005","78.64","0.02","78.32","0.02","87.73","0.02","1585.4","0.8","294","","","","","","","","","","","7","P -1","-P 1","2","","","","- C30 H24 B2 F8 N6 O3 Ru -","- C30 H24 B2 F8 N6 O3 Ru -","- C60 H48 B4 F16 N12 O6 Ru2 -","2","1","","McMurtrie, John; Dance, Ian","Engineering the metal-terpy grid with complexes containing 4?-hydroxy terpyridine","CrystEngComm","2005","7","36","230","","10.1039/b500989h","","","0.71073","MoKα","","","0.041","","","","0.067","","","","","","1.8","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203736","8.806","0.002","9.047","0.001","20.163","0.004","90","","98.38","0.01","90","","1589.2","0.5","294","","","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C30 H24 B2 Cu F8 N6 O3 -","- C30 H21 B2 Cu F8 N6 O3 -","- C60 H42 B4 Cu2 F16 N12 O6 -","2","1","","McMurtrie, John; Dance, Ian","Engineering the metal-terpy grid with complexes containing 4?-hydroxy terpyridine","CrystEngComm","2005","7","36","230","","10.1039/b500989h","","","0.71073","MoKα","","","0.051","","","","0.068","","","","","","1.27","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203737","8.774","0.003","8.871","0.002","38.795","0.009","90","","90","","90","","3019.6","1.4","294","","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H22 B2 F8 N6 Ni O2 -","- C30 H20 B2 F8 N6 Ni O2 -","- C120 H80 B8 F32 N24 Ni4 O8 -","4","1","","McMurtrie, John; Dance, Ian","Engineering the metal-terpy grid with complexes containing 4?-hydroxy terpyridine","CrystEngComm","2005","7","36","230","","10.1039/b500989h","","","0.71073","MoKα","","","0.046","","","","0.058","","","","","","1.97","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203742","6.6875","0.0006","12.1818","0.0012","12.3924","0.0012","90","","90","","90","","1009.56","0.17","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H12 O S2 -","- C10 H12 O S2 -","- C40 H48 O4 S8 -","4","1","","Ganguly, Nemai C.; Datta, Mrityunjoy; Ghosh, Kumaresh; Bond, Andrew D.","Non-bonded O?S contacts and O?H?S hydrogen bonds in isomeric hydroxyphenyl-1,3-dithianes","CrystEngComm","2005","7","34","210","","10.1039/b501481f","","","0.71073","MoKα","","0.0233","0.022","","","0.058","0.0585","","","","","","1.089","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203743","14.5782","0.0007","5.4156","0.0003","13.0424","0.0007","90","","104.479","0.001","90","","996.99","0.09","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 O S2 -","- C10 H12 O S2 -","- C40 H48 O4 S8 -","4","1","","Ganguly, Nemai C.; Datta, Mrityunjoy; Ghosh, Kumaresh; Bond, Andrew D.","Non-bonded O?S contacts and O?H?S hydrogen bonds in isomeric hydroxyphenyl-1,3-dithianes","CrystEngComm","2005","7","34","210","","10.1039/b501481f","","","0.71073","MoKα","","0.0359","0.0306","","","0.0815","0.084","","","","","","1.064","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203744","8.5479","0.0008","15.9729","0.0014","9.6655","0.0008","90","","110.722","0.002","90","","1234.3","0.19","130","2","130","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","binicotinic acid dihydrate","","","- C12 H12 N2 O6 -","- C12 H12 N2 O6 -","- C48 H48 N8 O24 -","4","1","","Custelcean, Radu; Gorbunova, Maryna G.","Protonation-assisted spontaneous resolution: formation of a homochiral 2D interpenetrated hydrogen-bonded network from 4,4?-binicotinic acid under highly acidic conditions","CrystEngComm","2005","7","49","297","","10.1039/b501901j","","","0.71073","MoKα","","0.04","0.0368","","","0.1054","0.1092","","","","","","1.064","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203745","10.665","0.006","6.222","0.003","11.579","0.006","90","","116.74","0.009","90","","686.2","0.6","173","2","173","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","binicotinic acid hydrochloride dihydrate","","","- C12 H13 Cl N2 O6 -","- C12 H13 Cl N2 O6 -","- C24 H26 Cl2 N4 O12 -","2","0.5","","Custelcean, Radu; Gorbunova, Maryna G.","Protonation-assisted spontaneous resolution: formation of a homochiral 2D interpenetrated hydrogen-bonded network from 4,4?-binicotinic acid under highly acidic conditions","CrystEngComm","2005","7","49","297","","10.1039/b501901j","","","0.71073","MoKα","","0.0517","0.0471","","","0.1202","0.1229","","","","","","1.166","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203746","12.9485","0.0018","5.9793","0.0008","8.6189","0.0012","90","","96.16","0.002","90","","663.45","0.16","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","binicotinic acid dihydrochloride","","","- C12 H10 Cl2 N2 O4 -","- C12 H10 Cl2 N2 O4 -","- C24 H20 Cl4 N4 O8 -","2","0.5","","Custelcean, Radu; Gorbunova, Maryna G.","Protonation-assisted spontaneous resolution: formation of a homochiral 2D interpenetrated hydrogen-bonded network from 4,4?-binicotinic acid under highly acidic conditions","CrystEngComm","2005","7","49","297","","10.1039/b501901j","","","0.71073","MoKα","","0.0243","0.0242","","","0.0636","0.0637","","","","","","1.07","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203749","10.815","0.002","9.4999","0.0019","35.478","0.007","90","","90","","90","","3645.1","1.2","243","2","243","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Diammine-silver(i)((S)-1,1'-bi-2-naphtholate(-))((S)-1,1'-bi- 2-naphthol)-dihydrate-methanol","Diammine-silver(I)((S)-1,1'-bi-2-naphtholate(-))((S)-1,1'-bi-2-naphthol)- dihydrate-methanol","","- C41 H41 Ag N2 O7 -","- C41 H41 Ag N2 O7 -","- C164 H164 Ag4 N8 O28 -","4","1","","Paul, Barbara; Näther, Christian; Fromm, Katharina M.; Janiak, Christoph","Chiral S-1,1′-bi-2-naphthol (S-BINOL) as a synthon for supramolecular hydrogen-bonded {(S-BINOLATn‒)(S-BINOL)n}-strands with naphthyl-paneled cavities or channels for a Cd(NH3)4-fragment (n= 2) or [Ag(NH3)2]+(n= 1). Part 2","CrystEngComm","2005","7","51","309","","10.1039/b502202a","","","0.71073","MoKα","","0.0669","0.0368","","","0.064","0.0707","","","","","","0.935","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203750","24.024","0.006","10.689","0.002","10.982","0.002","90","","108.657","0.004","90","","2671.9","1","243","2","243","2","","","","","","","","5","C 1 2 1","C 2y","5","(tetraammine-kappa$2!O,O'-((S)-1,1'-bi-2-naphtholate(2- ))cadmium(ii))-bis((S)-1,1'-bi-2-naphthol)hydrate-bis(methanol)","[tetraammine-κ^2^O,O'-((S)-1,1'-bi-2-naphtholate(2-))cadmium(II)]- bis((S)-1,1'-bi-2-naphthol)hydrate-bis(methanol)","","- C62 H62 Cd N4 O9 -","- C62 H62 Cd N4 O9 -","- C124 H124 Cd2 N8 O18 -","2","0.5","","Paul, Barbara; Näther, Christian; Fromm, Katharina M.; Janiak, Christoph","Chiral S-1,1′-bi-2-naphthol (S-BINOL) as a synthon for supramolecular hydrogen-bonded {(S-BINOLATn‒)(S-BINOL)n}-strands with naphthyl-paneled cavities or channels for a Cd(NH3)4-fragment (n= 2) or [Ag(NH3)2]+(n= 1). Part 2","CrystEngComm","2005","7","51","309","","10.1039/b502202a","","","0.71073","MoKα","","0.0308","0.0269","","","0.0454","0.0467","","","","","","0.93","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203751","9.373","0.003","10.796","0.003","18.074","0.005","78.215","0.005","81.104","0.005","89.636","0.005","1768.2","0.9","243","2","243","2","","","","","","","","5","P 1","P 1","1","Diammine-silver(i)((S)-1,1'-bi-2-naphtholate(-))((S)-1,1'-bi- 2-naphthol)-ethanol","Diammine-silver(I)((S)-1,1'-bi-2-naphtholate(-))((S)-1,1'-bi-2-naphthol)- ethanol","","- C42 H39 Ag N2 O5 -","- C42 H39 Ag N2 O5 -","- C84 H78 Ag2 N4 O10 -","2","2","","Paul, Barbara; Näther, Christian; Fromm, Katharina M.; Janiak, Christoph","Chiral S-1,1′-bi-2-naphthol (S-BINOL) as a synthon for supramolecular hydrogen-bonded {(S-BINOLATn‒)(S-BINOL)n}-strands with naphthyl-paneled cavities or channels for a Cd(NH3)4-fragment (n= 2) or [Ag(NH3)2]+(n= 1). Part 2","CrystEngComm","2005","7","51","309","","10.1039/b502202a","","","0.71073","MoKα","","0.1471","0.0594","","","0.1082","0.1335","","","","","","0.883","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203752","9.3931","0.0016","10.8023","0.0018","18.105","0.003","78.274","0.003","81.002","0.003","89.577","0.003","1776","0.5","243","2","243","2","","","","","","","","5","P 1","P 1","1","Diammine-silver(i)((S)-1,1'-bi-2-naphtholate(-))((S)-1,1'-bi- 2-naphthol)-ethanol","Diammine-silver(I)((S)-1,1'-bi-2-naphtholate(-))((S)-1,1'-bi-2-naphthol)- ethanol","","- C42 H39 Ag N2 O5 -","- C42 H39 Ag N2 O5 -","- C84 H78 Ag2 N4 O10 -","2","2","","Paul, Barbara; Näther, Christian; Fromm, Katharina M.; Janiak, Christoph","Chiral S-1,1′-bi-2-naphthol (S-BINOL) as a synthon for supramolecular hydrogen-bonded {(S-BINOLATn‒)(S-BINOL)n}-strands with naphthyl-paneled cavities or channels for a Cd(NH3)4-fragment (n= 2) or [Ag(NH3)2]+(n= 1). Part 2","CrystEngComm","2005","7","51","309","","10.1039/b502202a","","","0.71073","MoKα","","0.1041","0.0498","","","0.0667","0.0794","","","","","","0.924","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203753","17.856","0.002","20.231","0.002","7.0472","0.0007","90","","103.15","0.002","90","","2479","0.4","150","2","150","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C5.75 H4.38 Cl2.5 Co0.75 N4.13 -","- C5 H3 Cl1.5 Co0.75 N4 -","- C40 H24 Cl12 Co6 N32 -","8","1","","Oxtoby, Neil S.; Champness, Neil R.; Wilson, Claire","Cobalt and cadmium coordination polymers formed with the multimodal ligand 3,6-di-pyrazin-2-yl-(1,2,4,5)-tetrazine","CrystEngComm","2005","7","46","284","","10.1039/b502209f","","","0.71073","MoKα","","0.0455","0.0359","","","0.0874","0.0894","","","","","","0.954","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7203754","18.0112","0.0016","6.3741","0.0006","13.9426","0.0013","90","","109.359","0.002","90","","1510.2","0.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Cd(NO3)2(DPZTZ)","Cadmium (II) nitrate 3,6-Di-2-pyrazyl-1,2,4,5-tetrazine","","- C10 H6 Cd N10 O6 -","- C10 H6 Cd N10 O6 -","- C40 H24 Cd4 N40 O24 -","4","0.5","","Oxtoby, Neil S.; Champness, Neil R.; Wilson, Claire","Cobalt and cadmium coordination polymers formed with the multimodal ligand 3,6-di-pyrazin-2-yl-(1,2,4,5)-tetrazine","CrystEngComm","2005","7","46","284","","10.1039/b502209f","","","0.71073","MoKα","","0.0257","0.0208","","","0.046","0.0484","","","","","","1.05","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7203756","29.649","0.006","21.016","0.004","12.252","0.003","90","","92.14","0.03","90","","7629","3","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C76 H44 N18 O0.96 Zn2 -","- C76 H44 N18 O0.961 Zn2 -","- C304 H176 N72 O3.844 Zn8 -","4","1","","Zeng, Qingdao; Wu, Dongxia; Wang, Chen; Lu, Jun; Ma, Baocheng; Shu, Chunying; Ma, Hongwei; Li, Yan; Bai, Chunli","Bipyridine conformations control the solid-state supramolecular chemistry of zinc(ii) phthalocyanine with bipyridines","CrystEngComm","2005","7","38","243","","10.1039/b502587g","","","0.71073","MoKα","","0.1197","0.0818","","","0.205","0.2265","","","","","","0.951","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203757","10.886","0.002","12.317","0.003","14.535","0.003","65.05","0.03","76.62","0.03","70.07","0.03","1652.4","0.8","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C82 H56 N20 O2 Zn2 -","- C82 H56 N20 O2 Zn2 -","- C82 H56 N20 O2 Zn2 -","1","0.5","","Zeng, Qingdao; Wu, Dongxia; Wang, Chen; Lu, Jun; Ma, Baocheng; Shu, Chunying; Ma, Hongwei; Li, Yan; Bai, Chunli","Bipyridine conformations control the solid-state supramolecular chemistry of zinc(ii) phthalocyanine with bipyridines","CrystEngComm","2005","7","38","243","","10.1039/b502587g","","","0.71073","MoKα","","0.0643","0.043","","","0.1011","0.1089","","","","","","0.904","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203758","9.2854","0.0019","20.135","0.004","18.572","0.004","90","","90.15","0.03","90","","3472.2","1.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C45 H30 N10 Zn -","- C45 H30 N10 Zn -","- C180 H120 N40 Zn4 -","4","1","","Zeng, Qingdao; Wu, Dongxia; Wang, Chen; Lu, Jun; Ma, Baocheng; Shu, Chunying; Ma, Hongwei; Li, Yan; Bai, Chunli","Bipyridine conformations control the solid-state supramolecular chemistry of zinc(ii) phthalocyanine with bipyridines","CrystEngComm","2005","7","38","243","","10.1039/b502587g","","","0.71073","MoKα","","0.1505","0.0872","","","0.2524","0.2878","","","","","","1.06","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203765","15.754","0.004","26.877","0.007","19.244","0.005","90","","90.065","0.004","90","","8148","4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C82 H74 Co2 N16 O7 S4 -","- C82 H74 Co2 N16 O7 S4 -","- C328 H296 Co8 N64 O28 S16 -","4","1","","Halder, Gregory J.; Neville, Suzanne M.; Kepert, Cameron J.","A highly distorted (10,3)-a coordination framework constructed from alternating T-shaped and trigonal nodes","CrystEngComm","2005","7","42","266","","10.1039/b503352g","","","0.71073","MoKα","","0.0665","0.0543","","","0.1389","0.151","","","","","","1.063","","","","has coordinates,has disorder","180368","2020-10-21","18:00:00",""
"7203766","15.772","0.005","26.984","0.008","19.254","0.006","90","","90.019","0.005","90","","8194","4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C82 H74 Fe2 N16 O7 S4 -","- C82 H74 Fe2 N16 O7 S4 -","- C328 H296 Fe8 N64 O28 S16 -","4","1","","Halder, Gregory J.; Neville, Suzanne M.; Kepert, Cameron J.","A highly distorted (10,3)-a coordination framework constructed from alternating T-shaped and trigonal nodes","CrystEngComm","2005","7","42","266","","10.1039/b503352g","","x-ray","0.71073","MoKα","","0.1089","0.0577","","","0.1278","0.1608","","","","","","1.037","","","","has coordinates,has disorder","180368","2020-10-21","18:00:00",""
"7203776","7.811","0.003","11.056","0.002","8.938","0.001","90","","98.02","0.02","90","","764.3","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H14 Cl2 N4 Zn -","- C14 H14 Cl2 N4 Zn -","- C28 H28 Cl4 N8 Zn2 -","2","1","","Balamurugan, V.; Mukherjee, Rabindranath","Homochiral 1D-helical metal‒organic frameworks from achiral components. Formation of chiral channel via C‒H⋯Cl interaction","CrystEngComm","2005","7","54","337","","10.1039/b503583j","","","0.71073","MoKα","","0.0738","0.0353","","","0.0725","0.0809","","","","","","1.035","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203777","7.6924","0.0006","10.9917","0.0008","8.9403","0.0007","90","","97.213","0.001","90","","749.94","0.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H14 Cl2 N4 Zn -","- C14 H14 Cl2 N4 Zn -","- C28 H28 Cl4 N8 Zn2 -","2","1","","Balamurugan, V.; Mukherjee, Rabindranath","Homochiral 1D-helical metal‒organic frameworks from achiral components. Formation of chiral channel via C‒H⋯Cl interaction","CrystEngComm","2005","7","54","337","","10.1039/b503583j","","","0.71073","MoKα","","0.0223","0.0222","","","0.0578","0.0579","","","","","","1.081","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203778","7.701","0.003","10.977","0.002","8.943","0.005","90","","97.15","0.02","90","","750.1","0.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H14 Cl2 Co N4 -","- C14 H14 Cl2 Co N4 -","- C28 H28 Cl4 Co2 N8 -","2","1","","Balamurugan, V.; Mukherjee, Rabindranath","Homochiral 1D-helical metal‒organic frameworks from achiral components. Formation of chiral channel via C‒H⋯Cl interaction","CrystEngComm","2005","7","54","337","","10.1039/b503583j","","","0.71073","MoKα","","0.0292","0.0286","","","0.0712","0.0716","","","","","","1.051","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203779","8.989","0.0012","9.8015","0.0013","11.403","0.002","112.076","0.002","94.424","0.002","108.021","0.002","863.8","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H32 N2 Ni O4 P2 S4 -","- C34 H32 N2 Ni O4 P2 S4 -","- C34 H32 N2 Ni O4 P2 S4 -","1","0.5","","Aragoni, M. Carla; Arca, Massimiliano; Champness, Neil R.; De Pasquale, Monica; Devillanova, Francesco A.; Isaia, Francesco; Lippolis, Vito; Oxtoby, Neil S.; Wilson, Claire","Synthesis and structural characterisation of coordination polymers designed using discrete phosphonodithioato NiII complexes and dipyridyl donor ligands","CrystEngComm","2005","7","60","363","","10.1039/b503597j","","","0.71073","MoKα","","0.0567","0.037","","","0.0814","0.0908","","","","","","1.072","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7203780","7.4357","0.001","9.7115","0.0013","12.026","0.002","70.913","0.002","81.101","0.002","80.143","0.002","804","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H28 N6 Ni O4 P2 S4 -","- C28 H28 N6 Ni O4 P2 S4 -","- C28 H28 N6 Ni O4 P2 S4 -","1","0.5","","Aragoni, M. Carla; Arca, Massimiliano; Champness, Neil R.; De Pasquale, Monica; Devillanova, Francesco A.; Isaia, Francesco; Lippolis, Vito; Oxtoby, Neil S.; Wilson, Claire","Synthesis and structural characterisation of coordination polymers designed using discrete phosphonodithioato NiII complexes and dipyridyl donor ligands","CrystEngComm","2005","7","60","363","","10.1039/b503597j","","","0.71073","MoKα","","0.0329","0.0293","","","0.0719","0.0743","","","","","","0.986","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7203781","6.9179","0.0009","10.7325","0.0014","12.898","0.002","66.496","0.002","86.813","0.002","89.574","0.002","876.7","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H32 N6 Ni O4 P2 S4 -","- C30 H32 N6 Ni O4 P2 S4 -","- C30 H32 N6 Ni O4 P2 S4 -","1","0.5","","Aragoni, M. Carla; Arca, Massimiliano; Champness, Neil R.; De Pasquale, Monica; Devillanova, Francesco A.; Isaia, Francesco; Lippolis, Vito; Oxtoby, Neil S.; Wilson, Claire","Synthesis and structural characterisation of coordination polymers designed using discrete phosphonodithioato NiII complexes and dipyridyl donor ligands","CrystEngComm","2005","7","60","363","","10.1039/b503597j","","","0.71073","MoKα","","0.0563","0.0374","","","0.0906","0.1007","","","","","","1.033","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7203782","16.113","0.003","4.2049","0.0009","28.34","0.006","90","","90","","90","","1920.1","0.7","150","2","150","2","","","","","","","","7","P c c a","-P 2a 2ac","54","","","","- C10 H10 Au Br4 Cl I2 N2 -","- C10 H10 Au Br3.654 Cl1.346 I2 N2 -","- C40 H40 Au4 Br14.616 Cl5.384 I8 N8 -","4","0.5","","Zordan, Fiorenzo; Purver, Stephen L.; Adams, Harry; Brammer, Lee","Halometallate and halide ions: nucleophiles in competition for hydrogen bond and halogen bond formation in halopyridinium salts of mixed halide‒halometallate anions","CrystEngComm","2005","7","57","350","","10.1039/b503858h","","","0.71073","MoKα","","0.0915","0.0476","","","0.1134","0.1343","","","","","","1.034","","","","has coordinates,has disorder","180368","2020-10-21","18:00:00",""
"7203783","14.5518","0.0011","13.7363","0.001","14.6547","0.001","90","","92.389","0.001","90","","2926.8","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 Cl12 Fe2 N3 -","- C15 H15 Cl12 Fe2 N3 -","- C60 H60 Cl48 Fe8 N12 -","4","1","","Zordan, Fiorenzo; Purver, Stephen L.; Adams, Harry; Brammer, Lee","Halometallate and halide ions: nucleophiles in competition for hydrogen bond and halogen bond formation in halopyridinium salts of mixed halide‒halometallate anions","CrystEngComm","2005","7","57","350","","10.1039/b503858h","","","0.71073","MoKα","","0.0426","0.0324","","","0.0843","0.089","","","","","","1.031","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203784","14.583","0.011","13.96","0.01","14.695","0.011","90","","91.716","0.014","90","","2990","4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 Br3 Cl9 Fe2 N3 -","- C15 H15 Br3 Cl9 Fe2 N3 -","- C60 H60 Br12 Cl36 Fe8 N12 -","4","1","","Zordan, Fiorenzo; Purver, Stephen L.; Adams, Harry; Brammer, Lee","Halometallate and halide ions: nucleophiles in competition for hydrogen bond and halogen bond formation in halopyridinium salts of mixed halide‒halometallate anions","CrystEngComm","2005","7","57","350","","10.1039/b503858h","","","0.71073","MoKα","","0.1413","0.0712","","","0.1691","0.2075","","","","","","0.909","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203785","9.894","0.002","21.852","0.004","11.64","0.002","90","","98.807","0.003","90","","2486.9","0.8","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 Cl10 N3 Pt -","- C15 H15 Cl10 N3 Pt -","- C60 H60 Cl40 N12 Pt4 -","4","1","","Zordan, Fiorenzo; Purver, Stephen L.; Adams, Harry; Brammer, Lee","Halometallate and halide ions: nucleophiles in competition for hydrogen bond and halogen bond formation in halopyridinium salts of mixed halide‒halometallate anions","CrystEngComm","2005","7","57","350","","10.1039/b503858h","","","0.71073","MoKα","","0.0502","0.0405","","","0.1259","0.1321","","","","","","1.086","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203794","9.1213","0.0006","9.1213","0.0006","7.1103","0.0009","90","","90","","120","","512.31","0.08","100","2","100","2","","","","","","","","5","P 63","P 6c","173","","","","- C3 H15 N6 P S -","- C3 H15 N6 P S -","- C6 H30 N12 P2 S2 -","2","0.333333","","Chandrasekhar, Vadapalli; Azhakar, Ramachandran","A tubular architecture in a phosphorus based trihydrazide, {P(S)[N(CH3)NH2]3}","CrystEngComm","2005","7","56","346","","10.1039/b504753f","","","0.71073","MoKα","","0.0215","0.0213","","","0.0554","0.0555","","","","","","1.074","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203795","13.226","0.003","9.956","0.002","13.349","0.003","90","","90","","90","","1757.8","0.7","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C3 H15 N6 O P -","- C3 H15 N6 O P -","- C24 H120 N48 O8 P8 -","8","1","","Chandrasekhar, Vadapalli; Azhakar, Ramachandran","A tubular architecture in a phosphorus based trihydrazide, {P(S)[N(CH3)NH2]3}","CrystEngComm","2005","7","56","346","","10.1039/b504753f","","","0.71073","MoKα","","0.0378","0.0345","","","0.0931","0.0954","","","","","","1.039","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204391","12.111","0.0009","12.111","0.0009","6.543","0.0004","90","","90","","90","","959.7","0.12","293","2","293","2","","","","","","","","3","P -4 21 c","P -4 2n","114","Ph4Pb","Ph4Pb","","- C6 H5 Pb0.25 -","- C6 H5 Pb0.25 -","- C48 H40 Pb2 -","8","1","","Claborn, Kacey; Kahr, Bart; Kaminsky, Werner","Calculations of optical properties of the tetraphenyl-X family of isomorphous crystals (X = C, Si, Ge, Sn, Pb)","CrystEngComm","2002","4","46","252","256","10.1039/b202304k","","","0.7107","MoKα","","0.0559","0.0487","","","0.1319","0.1496","","","","","","1.103","","","","has coordinates","274635","2022-04-22","15:45:46",""
"7204392","12.068","0.0004","12.068","0.0004","6.557","0.0003","90","","90","","90","","954.94","0.06","293","2","293","2","","","","","","","","3","P -4 21 c","P -4 2n","114","Ph4Sn","Ph4Sn","","- C24 H20 Sn -","- C24 H20 Sn -","- C48 H40 Sn2 -","2","0.25","","Claborn, Kacey; Kahr, Bart; Kaminsky, Werner","Calculations of optical properties of the tetraphenyl-X family of isomorphous crystals (X = C, Si, Ge, Sn, Pb)","CrystEngComm","2002","4","46","252","256","10.1039/b202304k","","","0.7107","MoKα","","0.0338","0.0238","","","0.0594","0.0671","","","","","","1.132","","","","has coordinates","274635","2022-04-22","15:45:46",""
"7204393","11.616","0.0005","11.616","","6.902","0.0003","90","","90","","90","","931.3","0.06","293","2","293","2","","","","","","","","3","P -4 21 c","P -4 2n","114","Ph4Ge","Ph4Ge","","- C24 H20 Ge -","- C24 H20 Ge -","- C48 H40 Ge2 -","2","0.25","","Claborn, Kacey; Kahr, Bart; Kaminsky, Werner","Calculations of optical properties of the tetraphenyl-X family of isomorphous crystals (X = C, Si, Ge, Sn, Pb)","CrystEngComm","2002","4","46","252","256","10.1039/b202304k","","","0.7107","MoKα","","0.0345","0.0258","","","0.0626","0.0667","","","","","","1.039","","","","has coordinates","274635","2022-04-22","15:45:46",""
"7204394","11.4476","0.0009","11.4476","0.0009","7.0644","0.0006","90","","90","","90","","925.77","0.13","293","2","293","2","","","","","","","","3","P -4 21 c","P -4 2n","114","Ph4Si","Ph4Si","","- C6 H5 Si0.25 -","- C6 H5 Si0.25 -","- C48 H40 Si2 -","8","1","","Claborn, Kacey; Kahr, Bart; Kaminsky, Werner","Calculations of optical properties of the tetraphenyl-X family of isomorphous crystals (X = C, Si, Ge, Sn, Pb)","CrystEngComm","2002","4","46","252","256","10.1039/b202304k","","","0.7107","MoKα","","0.0456","0.0348","","","0.0745","0.0824","","","","","","1.033","","","","has coordinates","274635","2022-04-22","15:45:46",""
"7204395","10.905","0.001","10.905","0.001","7.285","0.0005","90","","90","","90","","866.33","0.13","293","2","293","2","","","","","","","","2","P -4 21 c","P -4 2n","114","Ph4C","Ph4C","","- C6.25 H5 -","- C6.25 H5 -","- C50 H40 -","8","1","","Claborn, Kacey; Kahr, Bart; Kaminsky, Werner","Calculations of optical properties of the tetraphenyl-X family of isomorphous crystals (X = C, Si, Ge, Sn, Pb)","CrystEngComm","2002","4","46","252","256","10.1039/b202304k","","","0.7107","MoKα","","0.065","0.0388","","","0.0816","0.0946","","","","","","1.066","","","","has coordinates","274635","2022-04-22","15:45:46",""
"7204509","7.202","0.001","11.18","0.002","18.192","0.004","90","","100.48","0.03","90","","1440.4","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H17 N7 O4 S -","- C9 H17 N7 O4 S -","- C36 H68 N28 O16 S4 -","4","1","","Grossel, Martin C.; Merckel, Daniel A. S.; Hutchings, Michael G.","The effect of preorganisation on the solid state behaviour of simple 'aromatic-cored' bis(guanidinium) sulfatesElectronic supplementary information (ESI) available: full details of crystallographic data collection for compounds 2·H2SO4 and 3·H2SO4·2H2O. See http://www.rsc.org/suppdata/ce/b2/b207803a/","CrystEngComm","2003","5","16","77","","10.1039/b207803a","","","0.71073","MoKα","","0.0951","0.0463","","","0.1073","0.1253","","","","","","1.042","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204510","9.4365","0.0005","23.7247","0.0019","7.0598","0.0004","90","","93.656","0.004","90","","1577.32","0.18","150","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H18 N6 O8 S -","- C10 H18 N6 O8 S -","- C40 H72 N24 O32 S4 -","4","0.5","","Grossel, Martin C.; Merckel, Daniel A. S.; Hutchings, Michael G.","The effect of preorganisation on the solid state behaviour of simple 'aromatic-cored' bis(guanidinium) sulfatesElectronic supplementary information (ESI) available: full details of crystallographic data collection for compounds 2·H2SO4 and 3·H2SO4·2H2O. See http://www.rsc.org/suppdata/ce/b2/b207803a/","CrystEngComm","2003","5","16","77","","10.1039/b207803a","","","0.71073","MoKα","","0.1175","0.0542","","","0.1226","0.1445","","","","","","1.027","","","","has coordinates","180376","2020-10-21","18:00:00",""
"7204546","8.5807","0.0011","14.25","0.002","12.114","0.002","90","","109.853","0.002","90","","1393.2","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H36 Cl2 Cu N8 O4 -","- C22 H36 Cl2 Cu N8 O4 -","- C44 H72 Cl4 Cu2 N16 O8 -","2","0.5","","Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Parker, David J.; Teat, Simon J.; Wilson, Claire","Complementarity of halide-mediated hydrogen-bonding and alkyl substitution in the construction of two-dimensional rhombic (4,4) grids using bis(N-alkylamidino-O-alkylurea)copper(ii) halides","CrystEngComm","2003","5","3","10","","10.1039/b210185h","","","0.71073","MoKα","","0.0715","0.0366","","","0.0627","0.0697","","","","","","0.873","","","","has coordinates","180376","2020-10-21","18:00:00",""
"7204547","9.036","0.003","12.689","0.004","16.37","0.005","94.62","0.005","97.051","0.005","91.02","0.005","1856","1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H24 Br2 Cu N8 O2 -","- C10 H24 Br2 Cu N8 O2 -","- C40 H96 Br8 Cu4 N32 O8 -","4","2","","Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Parker, David J.; Teat, Simon J.; Wilson, Claire","Complementarity of halide-mediated hydrogen-bonding and alkyl substitution in the construction of two-dimensional rhombic (4,4) grids using bis(N-alkylamidino-O-alkylurea)copper(ii) halides","CrystEngComm","2003","5","3","10","","10.1039/b210185h","","","0.71073","MoKα","","0.0807","0.0473","","","0.116","0.136","","","","","","1.041","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7204548","10.859","0.004","24.988","0.008","7.662","0.003","90","","96.259","0.005","90","","2066.7","1.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H30 Cl2 Cu N8 O3 -","- C12 H30 Cl2 Cu N8 O3 -","- C48 H120 Cl8 Cu4 N32 O12 -","4","1","","Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Parker, David J.; Teat, Simon J.; Wilson, Claire","Complementarity of halide-mediated hydrogen-bonding and alkyl substitution in the construction of two-dimensional rhombic (4,4) grids using bis(N-alkylamidino-O-alkylurea)copper(ii) halides","CrystEngComm","2003","5","3","10","","10.1039/b210185h","","","0.71073","MoKα","","0.1471","0.0998","","","0.2367","0.2566","","","","","","1.092","","","","has coordinates","180376","2020-10-21","18:00:00",""
"7204549","7.6304","0.001","12.062","0.002","12.964","0.002","71.233","0.002","78.914","0.002","80.827","0.002","1102.5","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H32 Br2 Cu N8 O3 -","- C13 H32 Br2 Cu N8 O3 -","- C26 H64 Br4 Cu2 N16 O6 -","2","1","","Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Parker, David J.; Teat, Simon J.; Wilson, Claire","Complementarity of halide-mediated hydrogen-bonding and alkyl substitution in the construction of two-dimensional rhombic (4,4) grids using bis(N-alkylamidino-O-alkylurea)copper(ii) halides","CrystEngComm","2003","5","3","10","","10.1039/b210185h","","","0.71073","MoKα","","0.0492","0.0317","","","0.0717","0.0751","","","","","","0.984","","","","has coordinates","180376","2020-10-21","18:00:00",""
"7204550","5.223","0.001","16.539","0.004","11.802","0.003","90","","102.806","0.005","90","","994.1","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H28 Br2 Cu N8 O4 -","- C10 H28 Br2 Cu N8 O4 -","- C20 H56 Br4 Cu2 N16 O8 -","2","0.5","","Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Parker, David J.; Teat, Simon J.; Wilson, Claire","Complementarity of halide-mediated hydrogen-bonding and alkyl substitution in the construction of two-dimensional rhombic (4,4) grids using bis(N-alkylamidino-O-alkylurea)copper(ii) halides","CrystEngComm","2003","5","3","10","","10.1039/b210185h","","","0.6942","Synchrotron","","0.0858","0.0586","","","0.0914","0.0967","","","","","","1.139","","","","has coordinates","180376","2020-10-21","18:00:00",""
"7204551","5.2682","0.0008","13.403","0.002","11.065","0.002","90","","94.56","0.003","90","","778.8","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H20 Cl2 Cu N8 O2 -","- C8 H20 Cl2 Cu N8 O2 -","- C16 H40 Cl4 Cu2 N16 O4 -","2","0.5","","Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Parker, David J.; Teat, Simon J.; Wilson, Claire","Complementarity of halide-mediated hydrogen-bonding and alkyl substitution in the construction of two-dimensional rhombic (4,4) grids using bis(N-alkylamidino-O-alkylurea)copper(ii) halides","CrystEngComm","2003","5","3","10","","10.1039/b210185h","","","0.71073","MoKα","","0.0557","0.0394","","","0.0931","0.0979","","","","","","1.025","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7204552","6.983","0.0011","16.174","0.0017","12.36","0.004","90","","99.31","0.02","90","","1377.6","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","8-hydroxyquinolinium salicylate","","","- C16 H13 N O4 -","- C16 H13 N O4 -","- C64 H52 N4 O16 -","4","2","","Smith, Graham; Wermuth, Urs D.; White, Jonathan M.","Facile solid-state molecular assembly: the crystal structure of the unique 2∶2 proton-transfer oxine-salicylic acid compound","CrystEngComm","2003","5","11","58","","10.1039/b210197c","","","1.5418","CuKα","","0.0367","0.0344","","","0.0998","0.1027","","","","","","0.983","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7204555","17.17","0.006","14.26","0.004","24.02","0.008","90","","90","","90","","5881","3","223","2","223","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C32 H40 N2 O3 -","- C32 H40 N2 O3 -","- C256 H320 N16 O24 -","8","2","","Fan, Ailong; Valiyaveettil, Suresh; Vittal, Jagadese J.","Monohelical self-assembly of 5-alkoxyisophthalamides","CrystEngComm","2003","5","6","38","","10.1039/b210303f","","","0.71073","MoKα","","0.1395","0.0597","","","0.1208","0.1378","","","","","","1","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204559","5.383","0.001","15.581","0.003","12.685","0.002","90","","101.746","0.004","90","","1041.6","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H28 Cu N10 O8 -","- C12 H8 Cu N10 O8 -","- C24 H16 Cu2 N20 O16 -","2","0.5","","Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Parker, David J.; Teat, Simon J.; Wilson, Claire","Complementarity of anion-mediated hydrogen-bonding and alkyl substitution in the construction of two-dimensional rhombic (4,4) grids by bis(N-alkylamidino-O-alkylurea)copper(ii) nitrates and tetrafluoroborates","CrystEngComm","2003","5","4","23","","10.1039/b210627b","","","0.6942","","","0.1057","0.0729","","","0.1831","0.1977","","","","","","1.064","","","","has coordinates,has disorder","180376","2020-10-21","18:00:00",""
"7204560","5.2725","0.0005","15.204","0.0015","13.9432","0.0013","90","","99.532","0.002","90","","1102.3","0.18","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C12 H28 B2 Cu F8 N8 O2 -","- C12 H28 B2 Cu F8 N8 O2 -","- C24 H56 B4 Cu2 F16 N16 O4 -","2","1","","Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Parker, David J.; Teat, Simon J.; Wilson, Claire","Complementarity of anion-mediated hydrogen-bonding and alkyl substitution in the construction of two-dimensional rhombic (4,4) grids by bis(N-alkylamidino-O-alkylurea)copper(ii) nitrates and tetrafluoroborates","CrystEngComm","2003","5","4","23","","10.1039/b210627b","","","0.6942","Synchrotron","","0.0508","0.0456","","","0.1135","0.1152","","","","","","1.074","","","","has coordinates","180376","2020-10-21","18:00:00",""
"7204561","11.1621","0.0011","16.1935","0.0015","17.328","0.002","83.861","0.002","74.106","0.002","81.143","0.002","2969.5","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C22.5 H35 Cu N10 O9 -","- C22.5 H33 Cu N10 O9 -","- C90 H132 Cu4 N40 O36 -","4","2","","Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Parker, David J.; Teat, Simon J.; Wilson, Claire","Complementarity of anion-mediated hydrogen-bonding and alkyl substitution in the construction of two-dimensional rhombic (4,4) grids by bis(N-alkylamidino-O-alkylurea)copper(ii) nitrates and tetrafluoroborates","CrystEngComm","2003","5","4","23","","10.1039/b210627b","","","0.71073","MoKα","","0.1062","0.0522","","","0.1297","0.1505","","","","","","0.923","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204562","5.03","0.0002","15.4696","0.0002","12.3914","0.0005","90","","95.916","0.002","90","","959.07","0.06","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H24 Cu N10 O8 -","- C10 H24 Cu N10 O8 -","- C20 H48 Cu2 N20 O16 -","2","0.5","","Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Parker, David J.; Teat, Simon J.; Wilson, Claire","Complementarity of anion-mediated hydrogen-bonding and alkyl substitution in the construction of two-dimensional rhombic (4,4) grids by bis(N-alkylamidino-O-alkylurea)copper(ii) nitrates and tetrafluoroborates","CrystEngComm","2003","5","4","23","","10.1039/b210627b","","","0.6982","Synchrotron","","0.1056","0.0948","","","0.2457","0.2489","","","","","","1.208","","","","has coordinates","180376","2020-10-21","18:00:00",""
"7204563","5.118","0.0006","14.676","0.002","13.913","0.002","90","","99.989","0.002","90","","1029.2","0.2","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C10 H24 B2 Cu F8 N8 O2 -","- C10 H24 B2 Cu F8 N8 O2 -","- C20 H48 B4 Cu2 F16 N16 O4 -","2","0.5","","Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Parker, David J.; Teat, Simon J.; Wilson, Claire","Complementarity of anion-mediated hydrogen-bonding and alkyl substitution in the construction of two-dimensional rhombic (4,4) grids by bis(N-alkylamidino-O-alkylurea)copper(ii) nitrates and tetrafluoroborates","CrystEngComm","2003","5","4","23","","10.1039/b210627b","","","0.71073","MoKα","","0.0356","0.0275","","","0.0747","0.0778","","","","","","1.038","","","","has coordinates","180376","2020-10-21","18:00:00",""
"7204564","7.149","0.003","10.468","0.004","11.295","0.003","90","","90","","90","","845.3","0.5","293","2","293","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H11 Co N O6 -","- C5 H7 Co N O6 -","- C20 H28 Co4 N4 O24 -","4","1","","Zhang, Yugen; Saha, Manas K.; Bernal, Ivan","[Cobalt(ii)l-glutamate(H2O)·H2O]∞: a new 3D chiral metal‒organic interlocking network with channels","CrystEngComm","2003","5","5","34","","10.1039/b210753h","","x-ray","0.71073","MoKα","","0.0307","0.0283","","","0.0799","0.081","","","","","","1.188","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204565","8.135","0.002","12.011","0.003","12.048","0.002","79.86","0.01","89.486","0.005","78.146","0.006","1133.7","0.4","296.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C54 H36 Cl2 N16 -","- C54 H36 Cl2 N16 -","- C54 H36 Cl2 N16 -","1","0.5","","Akutagawa, Tomoyuki; Hasegawa, Tatsuo; Nakamura, Takayoshi; Saito, Gunzi","Hydrogen-bonded supramolecular (2,2'-bi-1H-benzimidazole)(2-(2-1H-benzimidazolyl)-1H-benzimidazolium+)2(Cl‒) as an electron donor in a TCNQ complex","CrystEngComm","2003","5","10","54","","10.1039/b210879h","","","0.7107","MoKα","","","0.059","","","","0.092","","","","","","0.599","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204566","11.689","0.001","14.482","0.001","18.587","0.002","90","","90","","90","","3146.4","0.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H36 Ag3 N S8 W2 -","- C16 H36 Ag3 N S8 W2 -","- C64 H144 Ag12 N4 S32 W8 -","4","1","","Zhou, Jian-Liang; Wang, Yu-Xiao; Wang, Yan; Song, Ying-Lin; Zheng, He-Gen; Li, Yi-Zhi; Yang, Lan-Ping; Xin, Xin-Quan","Synthesis, crystal structure and non-linear optical properties of the heterobimetallic polymeric compound {[n-Bu4N][W2Ag3S8]}n","CrystEngComm","2003","5","12","62","","10.1039/b210937a","","","0.71073","MoKα","","0.0568","0.0486","","","0.1269","0.1314","","","","","","1.041","","","","has coordinates,has disorder","180376","2020-10-21","18:00:00",""
"7204570","45.207","0.009","6.465","0.001","7.416","0.001","90","","90","","90","","2167.4","0.6","295","2","295","2","","","","","","","","5","C m c 21","C 2c -2","36","","bis-2,4-(biphenyl-4-yloxy)-6-chloro-[1,3,5]triazine","","- C27 H18 Cl N3 O2 -","- C27 H18 Cl N3 O2 -","- C108 H72 Cl4 N12 O8 -","4","0.5","","Báthori, Nikoletta; Bihátsi, László; Bombicz, Petra; Czugler, Mátyás","Extremely short intermolecular N(sp2)⋯Cl contact in the bis-2,4-(biphenyl-4-yloxy)-6-chloro-[1,3,5]triazine crystal","CrystEngComm","2003","5","7","42","","10.1039/b211206j","","","1.54184","CUkα","","0.0428","0.033","","","0.0904","0.0951","","","","","","1.025","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204571","6.545","0.01","28.28","0.006","11.633","0.002","90","0.003","103.37","0.03","90","0.003","2095","3","100","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H23 Cl N4 O5 -","- C21 H23 Cl N4 O5 -","- C84 H92 Cl4 N16 O20 -","4","1","","Baskar Raj, S.; Muthiah, P. T.; Rychlewska, U.; Warzajtis, B.","Pseudo-polymorphism and crystal engineering: hydrogen-bonded supramolecular networks in trimethoprim m-chlorobenzoate and trimethoprim m-chlorobenzoate dihydrate","CrystEngComm","2003","5","9","48","","10.1039/b211312k","","","0.71073","MoKα","","0.1062","0.0817","","","0.1836","0.1935","","","","","","1.334","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204572","7.271","0.001","9.144","0.002","16.674","0.003","86.93","0.03","80.92","0.03","85.43","0.03","1090.3","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H25.4 Cl N4 O6.2 -","- C21 H25 Cl N4 O6.2 -","- C42 H50 Cl2 N8 O12.4 -","2","1","","Baskar Raj, S.; Muthiah, P. T.; Rychlewska, U.; Warzajtis, B.","Pseudo-polymorphism and crystal engineering: hydrogen-bonded supramolecular networks in trimethoprim m-chlorobenzoate and trimethoprim m-chlorobenzoate dihydrate","CrystEngComm","2003","5","9","48","","10.1039/b211312k","","","0.71073","MoKα","","0.0887","0.0534","","","0.0949","0.1081","","","","","","1.071","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204573","12.9719","0.0015","15.119","0.002","16.799","0.003","100.572","0.011","104.897","0.011","113.581","0.01","2761.4","0.8","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C70 H56 O5 -","- C70 H56 O5 -","- C140 H112 O10 -","2","1","","Guo, Fang; Guo, Wen Sheng; Toda, Fumio","Supramolecular stereoisomer ‒ the conformational isomer of 1,1,6,6-tetraphenylhexa-2,4-diyne-1,6-diol in the different inclusion compounds","CrystEngComm","2003","5","8","45","","10.1039/b211416j","","","0.71073","MoKα","","0.1015","0.06","","","0.1571","0.1861","","","","","","1.017","","","","has coordinates","205752","2020-10-21","18:00:00",""
"7204574","13.22","0.003","10.568","0.004","15.517","0.004","90","","105.954","0.017","90","","2084.4","1.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H37.5 N O2 -","- C25 H29 O2 -","- C100 H116 O8 -","4","1","","Guo, Fang; Guo, Wen Sheng; Toda, Fumio","Supramolecular stereoisomer ‒ the conformational isomer of 1,1,6,6-tetraphenylhexa-2,4-diyne-1,6-diol in the different inclusion compounds","CrystEngComm","2003","5","8","45","","10.1039/b211416j","","","0.71073","MoKα","","0.1314","0.0589","","","0.1133","0.1407","","","","","","1.028","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204575","5.5028","0.0013","7.0583","0.0016","8.2718","0.0019","70.112","0.004","85.814","0.004","74.095","0.004","290.48","0.12","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H6 N2 O4 -","- C4 H6 N2 O4 -","- C8 H12 N4 O8 -","2","1","","Lewis, T. C.; Tocher, D. A.; Day, G. M.; Price, S. L.","A computational and experimental search for polymorphs of parabanic acid ‒ a salutary tale leading to the crystal structure of oxo-ureido-acetic acid methyl esterElectronic supplementary information (ESI) available: crystal structures of the 16 lattice energy minima in Table 2, in the space group setting used in the minimisation. See http://www.rsc.org/suppdata/ce/b2/b211784c/","CrystEngComm","2003","5","2","3","","10.1039/b211784c","","","0.71073","MoKα","","0.0408","0.0379","","","0.1048","0.1075","","","","","","1.054","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204576","3.8364","0.001","12.916","0.002","12.221","0.003","90","","93.91","0.03","90","","604.2","0.2","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl1.032 N0.968 O1.936 -","- C28 H20 Cl2.064 N1.936 O3.872 -","2","0.5","","Kluge, S.; Dohnke, I.; Budde, F.; Hulliger, J.","Polarity formation in solid solutions: (4,4'-dinitrostilbene)1 ‒ x(4-chloro-4'-nitrostilbene)x, 1 > x > 0","CrystEngComm","2003","5","14","67","","10.1039/b211829g","","","0.71073","MoKα","","0.1116","0.0727","","","0.1628","0.1783","","","","","","0.865","","","","has coordinates,has disorder","180376","2020-10-21","18:00:00",""
"7204577","3.818","0.0006","13.0067","0.0019","12.478","0.002","90","","94.371","0.019","90","","617.85","0.17","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 N2 O4 -","- C14 H10 N2 O4 -","- C28 H20 N4 O8 -","2","0.5","","Kluge, S.; Dohnke, I.; Budde, F.; Hulliger, J.","Polarity formation in solid solutions: (4,4'-dinitrostilbene)1 ‒ x(4-chloro-4'-nitrostilbene)x, 1 > x > 0","CrystEngComm","2003","5","14","67","","10.1039/b211829g","","","0.71073","MoKα","","0.1202","0.0608","","","0.1446","0.1632","","","","","","0.802","","","","has coordinates","180376","2020-10-21","18:00:00",""
"7204591","25.6343","0.0006","25.6343","0.0006","31.3646","0.0006","90","","90","","120","","17849","0.7","200","2","200","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C43 H40 N O P3 Pt -","- C43 H40 N O P3 Pt -","- C774 H720 N18 O18 P54 Pt18 -","18","1","","Rashidi, Mehdi; Jennings, Michael C.; Puddephatt, Richard J.","An organoplatinum molecular hexagon that crystallizes in a hexagonal array","CrystEngComm","2003","5","13","65","","10.1039/b212734b","","","0.71073","MoKα","","0.0598","0.0412","","","0.1185","0.1285","","","","","","1.063","","","","has coordinates","180376","2020-10-21","18:00:00",""
"7204594","13.407","0.003","10.039","0.003","17.115","0.007","90","","90.6","0.03","90","","2303.4","1.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Trimethoprim p-toluenesulfonate","[2,4-diamino-5-(3',4',5'-trimethoxybenzyl pyrimidinium)] 4-methylbenzene sulfonate","","- C21 H26 N4 O6 S -","- C21 H26 N4 O6 S -","- C84 H104 N16 O24 S4 -","4","1","","Baskar Raj, S.; Sethuraman, V.; Francis, S.; Hemamalini, M.; Muthiah, P. Thomas; Bocelli, G.; Cantoni, A.; Rychlewska, U.; Warzajtis, B.","Supramolecular organisation via hydrogen bonding in trimethoprim sulfonate salts","CrystEngComm","2003","5","15","70","","10.1039/b300126a","","","0.71073","MoKα","","0.0681","0.0412","","","0.1016","0.1158","","","","","","1.02","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204595","17.855","0.004","6.136","0.01","21.349","0.004","90","","109.08","0.003","90","","2210","4","120","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Trimethoprim sulfanilate monohydrate","[2,4-diamino-5-(3',4',5'-trimethoxybenzyl pyrimidinium)] 4-aminobenzene sulfonate","","- C20 H27 N5 O7 S -","- C20 H27 N5 O7 S -","- C80 H108 N20 O28 S4 -","4","1","","Baskar Raj, S.; Sethuraman, V.; Francis, S.; Hemamalini, M.; Muthiah, P. Thomas; Bocelli, G.; Cantoni, A.; Rychlewska, U.; Warzajtis, B.","Supramolecular organisation via hydrogen bonding in trimethoprim sulfonate salts","CrystEngComm","2003","5","15","70","","10.1039/b300126a","","","0.71073","MoKα","","0.0822","0.0631","","","0.1508","0.163","","","","","","1.081","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204596","17.507","0.002","6.323","0.003","21.35","0.002","90","","107.8","0.02","90","","2250.2","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(2,4-diamino-5-(3',4',5'-trimethoxybenzyl)pyrimidinium) benzenesulfonate, monohydrate.","[2,4-diamino-5-(3',4',5'-trimethoxybenzyl)pyrimidinium] benzenesulfonate, monohydrate.","","- C20 H26 N4 O7 S -","- C20 H26 N4 O7 S -","- C80 H104 N16 O28 S4 -","4","1","","Baskar Raj, S.; Sethuraman, V.; Francis, S.; Hemamalini, M.; Muthiah, P. Thomas; Bocelli, G.; Cantoni, A.; Rychlewska, U.; Warzajtis, B.","Supramolecular organisation via hydrogen bonding in trimethoprim sulfonate salts","CrystEngComm","2003","5","15","70","","10.1039/b300126a","","","0.71069","MoKα","","0.156","0.0389","","","0.0671","0.093","","","","","","0.714","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204597","11.442","0.002","18.769","0.003","12.783","0.003","90","","114.18","0.03","90","","2504.4","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2,4-diamino-5-(3',4',5'-trimethoxybenzyl)pyrimidinium 3- carboxy-4-hydroxybenzene sulfonate dihydrate","2,4-diamino-5-(3',4',5'-trimethoxybenzyl)pyrimidinium 3-carboxy-4-hydroxybenzene sulfonate dihydrate","","- C21 H28 N4 O11 S -","- C21 H28 N4 O11 S -","- C84 H112 N16 O44 S4 -","4","1","","Baskar Raj, S.; Sethuraman, V.; Francis, S.; Hemamalini, M.; Muthiah, P. Thomas; Bocelli, G.; Cantoni, A.; Rychlewska, U.; Warzajtis, B.","Supramolecular organisation via hydrogen bonding in trimethoprim sulfonate salts","CrystEngComm","2003","5","15","70","","10.1039/b300126a","","","0.71069","MoKα","","0.2598","0.0516","","","0.0599","0.0906","","","","","","0.793","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204607","6.2565","0.0006","10.8094","0.0005","17.2183","0.0016","106.78","0.006","93.498","0.006","102.78","0.006","1077.49","0.16","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H30 O5 -","- C23 H30 O5 -","- C46 H60 O10 -","2","1","","Urbanczyk-Lipkowska, Zofia; Yoshizawa, Kazuhiro; Toyota, Shinji; Toda, Fumio","Easy isolation of the enol form of acetylacetone as an inclusion complex with host compounds","CrystEngComm","2003","5","22","114","116","10.1039/b301386n","","","1.54184","CuKα","","0.0665","0.0653","","","0.2191","0.2192","","","","","","1.362","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204608","9.8539","0.0001","9.2288","0.0001","33.0868","0.0005","90","","92.658","0.0007","90","","3005.67","0.06","293","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C36 H38 O6 -","- C36 H38 O6 -","- C144 H152 O24 -","4","2","","Urbanczyk-Lipkowska, Zofia; Yoshizawa, Kazuhiro; Toyota, Shinji; Toda, Fumio","Easy isolation of the enol form of acetylacetone as an inclusion complex with host compounds","CrystEngComm","2003","5","22","114","116","10.1039/b301386n","","","0.71073","MoKα","","0.0387","0.0328","","","0.0656","0.0673","","","","","","1.048","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204610","12.588","0.003","11.726","0.002","8.987","0.0018","90","","90","","90","","1326.5","0.5","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C14 H11 Co F2 O6 -","- C14 H11 Co F2 O6 -","- C56 H44 Co4 F8 O24 -","4","0.5","","Braga, Dario; Maini, Lucia; Mazzotti, Michele; Rubini, Katia; Grepioni, Fabrizia","Reversible gas?solid reactions between the organometallic zwitterion [CoIII(?5-C5H4COOH)(?5-C5H4COO)] and vapours of difluoro- and chloro-acetic acids","CrystEngComm","2003","5","29","154","","10.1039/b301952g","","","0.71073","MoKα","","0.0692","0.0433","","","0.1155","0.1311","","","","","","1.032","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204611","7.833","0.0016","11.696","0.002","14.435","0.003","90","","100.13","0.03","90","","1301.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 Co F O6 -","- C14 H12 Co F O6 -","- C56 H48 Co4 F4 O24 -","4","1","","Braga, Dario; Maini, Lucia; Mazzotti, Michele; Rubini, Katia; Grepioni, Fabrizia","Reversible gas?solid reactions between the organometallic zwitterion [CoIII(?5-C5H4COOH)(?5-C5H4COO)] and vapours of difluoro- and chloro-acetic acids","CrystEngComm","2003","5","29","154","","10.1039/b301952g","","","0.71073","MoKα","","0.0681","0.0437","","","0.1115","0.1264","","","","","","1.021","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204612","7.452","0.003","12.949","0.003","14.886","0.005","90","","102.36","0.03","90","","1403.1","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 Cl Co O6 -","- C14 H12 Cl Co O6 -","- C56 H48 Cl4 Co4 O24 -","4","1","","Braga, Dario; Maini, Lucia; Mazzotti, Michele; Rubini, Katia; Grepioni, Fabrizia","Reversible gas?solid reactions between the organometallic zwitterion [CoIII(?5-C5H4COOH)(?5-C5H4COO)] and vapours of difluoro- and chloro-acetic acids","CrystEngComm","2003","5","29","154","","10.1039/b301952g","","","0.71073","MoKα","","0.0433","0.0391","","","0.1051","0.1085","","","","","","1.07","","","","has coordinates,has disorder","180377","2020-10-21","18:00:00",""
"7204616","5.0842","0.0008","5.4202","0.0009","18.831","0.003","90","","94.126","0.004","90","","517.59","0.14","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","3,3'-DPTZ","3,6-Di-pyridin-3-yl-1,2,4,5-tetrazine","","- C12 H8 N6 -","- C12 H8 N6 -","- C24 H16 N12 -","2","0.5","","Oxtoby, Neil S.; Blake, Alexander J.; Champness, Neil R.; Wilson, Claire","The role of 1,2,4,5-tetrazine rings in π‒π stacking interactions","CrystEngComm","2003","5","17","82","","10.1039/b302187d","","","0.71073","MoKα","","0.0769","0.0386","","","0.0838","0.0972","","","","","","0.878","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7204617","5.0029","0.0009","5.4035","0.001","18.788","0.004","90","","92.776","0.004","90","","507.3","0.17","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","3,6-Di-4-pyridyl-1,2,4,5-tetrazine","3,6-Di-4-pyridyl-1,2,4,5-tetrazine","","- C12 H8 N6 -","- C12 H8 N6 -","- C24 H16 N12 -","2","0.5","","Oxtoby, Neil S.; Blake, Alexander J.; Champness, Neil R.; Wilson, Claire","The role of 1,2,4,5-tetrazine rings in π‒π stacking interactions","CrystEngComm","2003","5","17","82","","10.1039/b302187d","","","0.71073","MoKα","","0.0583","0.0439","","","0.1202","0.1303","","","","","","1.033","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7204618","12.968","0.002","5.596","0.001","6.813","0.001","90","","92.099","0.003","90","","494.08","0.14","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Di-pyrazyl-tetrazine","3,6-Di-2-pyrazyl-1,2,4,5-tetrazine","","- C10 H6 N8 -","- C10 H6 N8 -","- C20 H12 N16 -","2","0.5","","Oxtoby, Neil S.; Blake, Alexander J.; Champness, Neil R.; Wilson, Claire","The role of 1,2,4,5-tetrazine rings in π‒π stacking interactions","CrystEngComm","2003","5","17","82","","10.1039/b302187d","","","0.71073","MoKα","","0.0368","0.0346","","","0.1","0.1017","","","","","","1.064","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204619","10.0506","0.0015","10.3341","0.0014","11.1873","0.0016","66.406","0.003","89.958","0.003","71.145","0.002","996.5","0.2","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H22 Ag Cl N0 O4 S2 -","- C18 H22 Ag Cl O4 S2 -","- C36 H44 Ag2 Cl2 O8 S4 -","2","1","","Chen, Wei; Du, Miao; Bu, Xian-He; Zhang, Ruo-Hua; Mak, Thomas C. W.","Modifying silver(I) coordination frameworks containing a flexible dithioether ligand by variation of counter anions","CrystEngComm","2003","5","20","96","","10.1039/b302208k","","","0.71073","MoKα","","0.0899","0.0543","","","0.1229","0.1404","","","","","","0.943","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204620","12.5416","0.0007","9.1826","0.0005","17.4612","0.001","90","","99.573","0.001","90","","1982.91","0.19","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 Ag N O3 S2 -","- C18 H22 Ag N O3 S2 -","- C72 H88 Ag4 N4 O12 S8 -","4","1","","Chen, Wei; Du, Miao; Bu, Xian-He; Zhang, Ruo-Hua; Mak, Thomas C. W.","Modifying silver(I) coordination frameworks containing a flexible dithioether ligand by variation of counter anions","CrystEngComm","2003","5","20","96","","10.1039/b302208k","","","0.71073","MoKα","","0.0294","0.0252","","","0.0698","0.0731","","","","","","1.076","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204621","11.5428","0.0002","12.485","0.0002","18.4962","0.0003","97.196","0.0006","106.027","0.0006","107.916","0.0006","2372.42","0.07","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H54 B20 N2 O19 W5 -","- C18 H54 B20 N2 O19 W5 -","- C36 H108 B40 N4 O38 W10 -","2","1","","Macías, Ramón; Kennedy, John D.; Thornton-Pett, Mark; Román, Pascual","The 'globule‒globule' hybrid dicarbaborane‒polyoxometallate salt, [C2B10H11CH2NHCH(CH3)2]4[W10O32][H2O]2[(CH3)2CO]4","CrystEngComm","2003","5","19","93","","10.1039/b302341a","","","0.71073","MoKα","","0.0399","0.0369","","","0.0949","0.098","","","","","","1.082","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204622","10.1635","0.0016","19.999","0.003","20.833","0.003","90","","103.159","0.003","90","","4123.3","1.1","220","2","220","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C29 H32 Cl2 Fe N6 Ni O16.5 -","- C29 H30 Cl2 Fe N6 Ni O16.5 -","- C116 H120 Cl8 Fe4 N24 Ni4 O66 -","4","1","","Kamiyama, Asako; Noguchi, Tomoko; Kajiwara, Takashi; Ito, Tasuku","Controlling the construction of trinuclear, 1-D, and 2-D Ni(ii)Fe(ii)/Fe(ii)Fe(ii) complexes: selective syntheses, structures, and magnetic properties","CrystEngComm","2003","5","40","231","","10.1039/b302413j","","","0.71073","MoKα","","0.2003","0.0733","","","0.1789","0.2366","","","","","","0.877","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7204623","10.4651","0.0005","18.6142","0.001","20.3093","0.0011","90","","102.868","0.001","90","","3856.9","0.3","180","2","180","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C31 H40 Cl2 Fe N6 Ni O17 -","- C31 H26 Cl2 Fe N6 Ni O17 -","- C124 H104 Cl8 Fe4 N24 Ni4 O68 -","4","0.5","","Kamiyama, Asako; Noguchi, Tomoko; Kajiwara, Takashi; Ito, Tasuku","Controlling the construction of trinuclear, 1-D, and 2-D Ni(ii)Fe(ii)/Fe(ii)Fe(ii) complexes: selective syntheses, structures, and magnetic properties","CrystEngComm","2003","5","40","231","","10.1039/b302413j","","","0.71073","MoKα","","0.064","0.044","","","0.123","0.1343","","","","","","1.059","","","","has coordinates,has disorder","180377","2020-10-21","18:00:00",""
"7204624","10.4799","0.0004","19.5611","0.0006","20.0708","0.0007","90","","103.669","0.001","90","","3997.9","0.2","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H35 Cl2 Fe N7 Ni O18 -","- C30 H29 Cl2 Fe N7 Ni O18 -","- C120 H116 Cl8 Fe4 N28 Ni4 O72 -","4","0.5","","Kamiyama, Asako; Noguchi, Tomoko; Kajiwara, Takashi; Ito, Tasuku","Controlling the construction of trinuclear, 1-D, and 2-D Ni(ii)Fe(ii)/Fe(ii)Fe(ii) complexes: selective syntheses, structures, and magnetic properties","CrystEngComm","2003","5","40","231","","10.1039/b302413j","","","0.71073","MoKα","","0.0581","0.0396","","","0.104","0.1123","","","","","","1","","","","has coordinates,has disorder","180377","2020-10-21","18:00:00",""
"7204625","9.7081","0.0013","19.095","0.003","18.094","0.002","90","","98.035","0.003","90","","3321.3","0.8","200","2","200","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C27 H17 Cl3 Fe N8 Ni O4 S2 -","- C27 H16 Cl3 Fe N8 Ni O4 S2 -","- C108 H64 Cl12 Fe4 N32 Ni4 O16 S8 -","4","1","","Kamiyama, Asako; Noguchi, Tomoko; Kajiwara, Takashi; Ito, Tasuku","Controlling the construction of trinuclear, 1-D, and 2-D Ni(ii)Fe(ii)/Fe(ii)Fe(ii) complexes: selective syntheses, structures, and magnetic properties","CrystEngComm","2003","5","40","231","","10.1039/b302413j","","","0.71073","MoKα","","0.1197","0.0675","","","0.1897","0.2175","","","","","","1.043","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204626","14.9691","0.0006","14.9691","0.0006","30.3224","0.0017","90","","90","","90","","6794.5","0.5","200","2","200","2","","","","","","","","8","I -4","I -4","82","","","","- C25 H23.5 Br Cl Fe N6 Ni O10.75 -","- C25 H16 Br Cl Fe N6 Ni O10.75 -","- C200 H128 Br8 Cl8 Fe8 N48 Ni8 O86 -","8","1","","Kamiyama, Asako; Noguchi, Tomoko; Kajiwara, Takashi; Ito, Tasuku","Controlling the construction of trinuclear, 1-D, and 2-D Ni(ii)Fe(ii)/Fe(ii)Fe(ii) complexes: selective syntheses, structures, and magnetic properties","CrystEngComm","2003","5","40","231","","10.1039/b302413j","","","0.71073","MoKα","","0.132","0.0675","","","0.1563","0.1825","","","","","","0.946","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204627","32.323","0.003","17.0606","0.0014","20.7616","0.0017","90","","90","","90","","11449","1.7","200","2","200","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C79 H75 Cl19 Fe5 N18 O37 -","- C79 H48 Cl19 Fe5 N18 O37 -","- C316 H192 Cl76 Fe20 N72 O148 -","4","0.5","","Kamiyama, Asako; Noguchi, Tomoko; Kajiwara, Takashi; Ito, Tasuku","Controlling the construction of trinuclear, 1-D, and 2-D Ni(ii)Fe(ii)/Fe(ii)Fe(ii) complexes: selective syntheses, structures, and magnetic properties","CrystEngComm","2003","5","40","231","","10.1039/b302413j","","","0.71073","MoKα","","0.1567","0.0787","","","0.2145","0.2617","","","","","","1.027","","","","has coordinates,has disorder","180377","2020-10-21","18:00:00",""
"7204628","8.9267","0.0006","12.2683","0.0008","13.3292","0.0009","90.215","0.002","101.813","0.002","97.288","0.002","1416.63","0.16","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H43 Cl2 Fe N12 Ni2 O20.5 -","- C48 H36 Cl2 Fe N12 Ni2 O20.5 -","- C48 H36 Cl2 Fe N12 Ni2 O20.5 -","1","0.5","","Kamiyama, Asako; Noguchi, Tomoko; Kajiwara, Takashi; Ito, Tasuku","Controlling the construction of trinuclear, 1-D, and 2-D Ni(ii)Fe(ii)/Fe(ii)Fe(ii) complexes: selective syntheses, structures, and magnetic properties","CrystEngComm","2003","5","40","231","","10.1039/b302413j","","","0.71073","MoKα","","0.1241","0.0616","","","0.1428","0.1688","","","","","","1","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7204629","32.999","0.002","17.1473","0.0011","20.9802","0.0013","90","","90","","90","","11871.5","1.3","200","2","200","2","","","","","","","","7","P n n m","-P 2 2n","58","","","","- C78.5 H80.5 Cl17.5 Fe2 N18 Ni3 O39 -","- C78.5 H48 Cl17.5 Fe2 N18 Ni3 O39 -","- C314 H192 Cl70 Fe8 N72 Ni12 O156 -","4","0.5","","Kamiyama, Asako; Noguchi, Tomoko; Kajiwara, Takashi; Ito, Tasuku","Controlling the construction of trinuclear, 1-D, and 2-D Ni(ii)Fe(ii)/Fe(ii)Fe(ii) complexes: selective syntheses, structures, and magnetic properties","CrystEngComm","2003","5","40","231","","10.1039/b302413j","","","0.71073","MoKα","","0.1578","0.0854","","","0.2488","0.2994","","","","","","1.004","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7204631","11.564","0.002","16.393","0.003","16.793","0.003","90","","90","","90","","3183.4","1","293","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","1,1,6,6-tetraphenylhexa-2,4-diyne-1,6-diol dimethyl formamide clathrate","1,1,6,6-tetraphenylhexa-2,4-diyne-1,6-diol dimethyl formamide clathrate","","- C36 H36 N2 O4 -","- C36 H36 N2 O4 -","- C144 H144 N8 O16 -","4","0.5","","Caira, Mino R.; Jacobs, Ayesha; Nassimbeni, Luigi R.; Toda, Fumio","Inclusion compounds of 1,1,6,6-tetraphenylhexa-2,4-diyne-1,6-diol with DMF and DMSO: structures, selectivity and kinetics of desolvationComplexation with diol host compounds. Part 34. For Part 33, see ref. 3.","CrystEngComm","2003","5","28","150","","10.1039/b302548a","","","0.7107","MoKα","","0.0979","0.0666","","","0.1802","0.2048","","","","","","1.032","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204632","11.377","0.002","15.982","0.003","16.191","0.003","90","","90","","90","","2944","0.9","293","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","1,1,6,6-tetraphenylhexa-2,4-diyne-1,6-diol dimethylsulphoxide clathrate","1,1,6,6-tetraphenylhexa-2,4-diyne-1,6-diol dimethylsulphoxide clathrate","","- C34 H34 O4 S2 -","- C34 H34 O4 S2 -","- C136 H136 O16 S8 -","4","0.5","","Caira, Mino R.; Jacobs, Ayesha; Nassimbeni, Luigi R.; Toda, Fumio","Inclusion compounds of 1,1,6,6-tetraphenylhexa-2,4-diyne-1,6-diol with DMF and DMSO: structures, selectivity and kinetics of desolvationComplexation with diol host compounds. Part 34. For Part 33, see ref. 3.","CrystEngComm","2003","5","28","150","","10.1039/b302548a","","","0.7107","MoKα","","0.1096","0.097","","","0.206","0.2108","","","","","","1.226","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204634","14.218","0.003","41.861","0.008","17.664","0.004","90","","106.29","0.03","90","","10091","4","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C96 H98 N4 O62 -","- C96 H98 N4 O62 -","- C384 H392 N16 O248 -","4","1","","Almeida Paz, Filipe A.; Klinowski, Jacek","Supramolecular architecture of a novel salt of trimesic acid and 1,2-bis(4-pyridyl)ethane","CrystEngComm","2003","5","41","238","","10.1039/b302949b","","","0.71073","MoKα","","0.1061","0.0588","","","0.1349","0.1586","","","","","","1.044","","","","has coordinates,has disorder","180377","2020-10-21","18:00:00",""
"7204640","12.8274","0.0007","12.8274","0.0007","14.2567","0.0007","90","","90","","90","","2345.8","0.2","293","2","293","2","","","","","","","synthesis as described","6","I 41","I 4bw","80","","","","- C18 H15 Cr N12 O4 S -","- C18 H12 Cr N12 O4 S -","- C72 H48 Cr4 N48 O16 S4 -","4","0.5","","Krister Larsson; Lars Öhrström","A (10,3)-b net by sulfate hydrogen-bonded biimidazolate complexes","CrystEngComm","2003","5","38","222","225","10.1039/b303107a","","x-ray","0.924","synchrotron","","0.0707","0.0692","","","0.1969","0.2001","","","","","","1.1","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204642","26.361","0.013","6.777","0.003","15.553","0.008","90","","95.44","0.008","90","","2766","2","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","[(4,4-bpe)(cyanuric acid)]","(trans-1,2-Bis(4-pyridyl)ethylene)(cyanuric acid)","","- C15 H13 N5 O3 -","- C15 H13 N5 O3 -","- C120 H104 N40 O24 -","8","1","","Barnett, Sarah A.; Blake, Alexander J.; Champness, Neil R.","Polymorphism in hydrogen bonded frameworks; cyanuric acid‒bis(4-pyridyl)ethene adducts","CrystEngComm","2003","5","24","134","","10.1039/b303338d","","","0.71073","MoKα","","0.1436","0.0662","","","0.1474","0.176","","","","","","0.898","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7204643","19.174","0.003","6.7825","0.001","32.748","0.005","90","","91.246","0.003","90","","4257.8","1.1","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","[(4,4-bpe)(cyanuric acid)]","(trans-1,2-Bis(4-pyridyl)ethylene)(cyanuric acid)","","- C15 H13 N5 O3 -","- C15 H13 N5 O3 -","- C180 H156 N60 O36 -","12","1.5","","Barnett, Sarah A.; Blake, Alexander J.; Champness, Neil R.","Polymorphism in hydrogen bonded frameworks; cyanuric acid‒bis(4-pyridyl)ethene adducts","CrystEngComm","2003","5","24","134","","10.1039/b303338d","","","0.71073","MoKα","","0.0901","0.0568","","","0.1425","0.1563","","","","","","1.03","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7204644","13.3658","0.0002","19.5386","0.0003","24.7121","0.0004","85.67","","84.58","","88.38","","6404.9","0.17","90","1","90","1","","","","","","","","4","P -1","-P 1","2","bis-(tetraphenylporphirinate Zn(ii))pyrazine fullerene molecular complex","bis-(tetraphenylporphirinate Zn(II))pyrazine fullerene molecular complex","","- C190.5 H98.02 N10.66 Zn2 -","- C190.5 H98.02 N10.66 Zn2 -","- C381 H196.04 N21.32 Zn4 -","2","1","","Litvinov, Aleksey L.; Konarev, Dmitri V.; Kovalevsky, Andrey Yu.; Coppens, Philip; Lyubovskaya, Rimma N.","Synthesis and crystal structure of a new supramolecular complex: [(ZnTPP)2Prz]�C60�5.34C7H8�0.66C6H5CNElectronic supplementary information (ESI) available: charaterisation for compound 1. See http://www.rsc.org/suppdata/ce/b3/b303415a/","CrystEngComm","2003","5","25","137","","10.1039/b303415a","","","0.71073","MoKα","","0.0775","0.0625","","","0.1729","0.1831","","","","","","1.05","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7204645","9.142","0.0002","9.6756","0.0002","19.9513","0.0005","79.184","0.001","83.998","0.001","68.436","0.001","1610.88","0.06","123","2","123","2","","","","","","","","4","P -1","-P 1","2","3-(2,7-Dibromo-fluoren-9-ylidene)-2-(9-(3-oxo-3-phenyl-prop-1- ynyl)-9H-fluoren-9-yl)-1-phenyl-propenone","3-(2,7-Dibromo-fluoren-9-ylidene)-2-[9-(3-oxo-3-phenyl-prop-1-ynyl)- 9H-fluoren-9-yl]-1-phenyl-propenone","","- C44 H24 Br2 O2 -","- C44 H24 Br2 O2 -","- C88 H48 Br4 O4 -","2","1","","Tanaka, Koichi; Tomomori, Akihiro; Scott, Janet L.","Novel photochromism of propargylallene in the solid state","CrystEngComm","2003","5","27","147","","10.1039/b303461e","","","0.71073","MoKα","","0.0928","0.0523","","","0.1191","0.1338","","","","","","1.026","","","","has coordinates","275182","2022-05-07","01:28:21",""
"7204646","9.5423","0.0002","9.8723","0.0002","20.2727","0.0004","83.159","0.001","87.31","0.001","76.521","0.001","1843.59","0.07","123","2","123","2","","","","","","","","5","P -1","-P 1","2","2-(2,7-dibromo-9-(3-oxo-3-phenyl-prop-1-ynyl)-9H-fluoren-9- yl)-3-fluoren-9-ylidene-1-phenyl-propenone","2-[2,7-dibromo-9-(3-oxo-3-phenyl-prop-1-ynyl)-9H-fluoren-9-yl]-3- fluoren-9-ylidene-1-phenyl-propenone","","- C45 H25 Br2 Cl3 O2 -","- C45 H25 Br2 Cl3 O2 -","- C90 H50 Br4 Cl6 O4 -","2","1","","Tanaka, Koichi; Tomomori, Akihiro; Scott, Janet L.","Novel photochromism of propargylallene in the solid state","CrystEngComm","2003","5","27","147","","10.1039/b303461e","","","0.71073","MoKα","","0.139","0.0635","","","0.1564","0.1799","","","","","","1.068","","","","has coordinates","275182","2022-05-07","01:28:21",""
"7204650","6.317","0.004","9.643","0.005","12.877","0.007","90","","92.574","0.009","90","","783.6","0.8","213","2","213","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Hexaaquairon(ii)-H2piperazinedium-bis(hydrogenphosphate)","Hexaaquairon(II)-H2piperazinedium-bis(hydrogenphosphate)","","- C4 H26 Fe N2 O14 P2 -","- C4 H26 Fe N2 O14 P2 -","- C8 H52 Fe2 N4 O28 P4 -","2","0.5","","Abu-Shandi, Khalid; Winkler, Heiner; Wu, Biao; Janiak, Christoph","Open-framework iron phosphates: Syntheses, structures, sorption studies and oxidation catalysisThis article is based (partly) on a presentation which will be made at the European Research Conference (EURESCO) on ""Molecular Crystal Engineering - EuroConference on Design and Preparation of Molecular Materials"" (Acquafredda di Maratea, Italy, 31 May - 5 June 2003) organised by the European Science Foundation and supported by the European Commission, Research DG, Human Potential Programme, High-Level Scientific Conferences, Contract HPCF-CT-2002-00270. This information is the sole responsibility of the author(s) and does not reflect the ESF or Community's opinion. The ESF and the Community are not responsible for any use that might be made of data appearing in this publication.","CrystEngComm","2003","5","33","180","","10.1039/b303498d","","","0.71073","MoKα","","0.0471","0.033","","","0.0819","0.0875","","","","","","1.02","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204651","9.815","0.002","9.7225","0.0019","9.877","0.002","90","","102.87","0.03","90","","918.8","0.3","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Ammonium-(aqua(μ3-hydroxo)bis(μ4-phosphato)diferrate(iii))-hydrate","Ammonium-[aqua(μ3-hydroxo)bis(μ4-phosphato)diferrate(III)]-hydrate","","- Fe2 H9 N O11 P2 -","- Fe2 H9 N O11 P2 -","- Fe8 H36 N4 O44 P8 -","4","1","","Abu-Shandi, Khalid; Winkler, Heiner; Wu, Biao; Janiak, Christoph","Open-framework iron phosphates: Syntheses, structures, sorption studies and oxidation catalysisThis article is based (partly) on a presentation which will be made at the European Research Conference (EURESCO) on ""Molecular Crystal Engineering - EuroConference on Design and Preparation of Molecular Materials"" (Acquafredda di Maratea, Italy, 31 May - 5 June 2003) organised by the European Science Foundation and supported by the European Commission, Research DG, Human Potential Programme, High-Level Scientific Conferences, Contract HPCF-CT-2002-00270. This information is the sole responsibility of the author(s) and does not reflect the ESF or Community's opinion. The ESF and the Community are not responsible for any use that might be made of data appearing in this publication.","CrystEngComm","2003","5","33","180","","10.1039/b303498d","","","0.71073","MoKα","","0.0416","0.0369","","","0.099","0.1044","","","","","","1.089","","","","has coordinates","194607","2020-10-21","18:00:00",""
"7204652","6.3554","0.0016","9.166","0.002","15.311","0.004","90.27","0.004","91.338","0.004","106.594","0.004","854.5","0.4","213","2","213","2","","","","","","","","6","P -1","-P 1","2","H2piperazinedium-(aqua)(μ3-hydrogenphosphato)(tris-μ4-phosphato)- tri-iron(iii)-0.25hydrate","H2piperazinedium-(aqua)(μ3-hydrogenphosphato)(tris-μ4-phosphato)- tri-iron(III)-0.25hydrate","","- C4 H13 Fe3 N2 O17.25 P4 -","- C4 H13 Fe3 N2 O17.25 P4 -","- C8 H26 Fe6 N4 O34.5 P8 -","2","1","","Abu-Shandi, Khalid; Winkler, Heiner; Wu, Biao; Janiak, Christoph","Open-framework iron phosphates: Syntheses, structures, sorption studies and oxidation catalysisThis article is based (partly) on a presentation which will be made at the European Research Conference (EURESCO) on ""Molecular Crystal Engineering - EuroConference on Design and Preparation of Molecular Materials"" (Acquafredda di Maratea, Italy, 31 May - 5 June 2003) organised by the European Science Foundation and supported by the European Commission, Research DG, Human Potential Programme, High-Level Scientific Conferences, Contract HPCF-CT-2002-00270. This information is the sole responsibility of the author(s) and does not reflect the ESF or Community's opinion. The ESF and the Community are not responsible for any use that might be made of data appearing in this publication.","CrystEngComm","2003","5","33","180","","10.1039/b303498d","","","0.71073","MoKα","","0.0617","0.0419","","","0.0955","0.1054","","","","","","1.055","","","","has coordinates,has disorder","194607","2020-10-21","18:00:00",""
"7204659","8.4989","0.0003","10.4456","0.0004","19.6071","0.0007","102.094","0.001","95.528","0.001","99.56","0.002","1662.78","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H104 N14 O6 S6 -","- C46 H100 N14 O6 S6 -","- C46 H100 N14 O6 S6 -","1","0.5","","Babb, Jennifer E. V.; Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Slade, David M. K.","Hydrogen-bonded linear thiourea hexads in tetra-n-butylammonium terephthalate inclusion compounds","CrystEngComm","2003","5","39","226","","10.1039/b304010k","","","0.7107","MoKα","","0.103","0.0524","","","0.1258","0.1468","","","","","","1.034","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204660","8.581","0.0001","16.348","0.0002","27.262","0.0005","103.653","0.001","92.683","0.001","101.473","0.001","3624.36","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H86.66667 N6 O5.33333 S2 -","- C42 H86.6667 N6 O5.33333 S2 -","- C126 H260 N18 O16 S6 -","3","1.5","","Babb, Jennifer E. V.; Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Slade, David M. K.","Hydrogen-bonded linear thiourea hexads in tetra-n-butylammonium terephthalate inclusion compounds","CrystEngComm","2003","5","39","226","","10.1039/b304010k","","","0.71073","MoKα","","0.083","0.0489","","","0.1087","0.1246","","","","","","1.015","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7204661","16.788","0.0002","17.06","0.0002","18.313","0.0003","90","","90","","90","","5244.9","0.12","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H44 Br N5 S2 -","- C18 H44 Br N5 S2 -","- C144 H352 Br8 N40 S16 -","8","1","","Babb, Jennifer E. V.; Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Slade, David M. K.","Hydrogen-bonded linear thiourea hexads in tetra-n-butylammonium terephthalate inclusion compounds","CrystEngComm","2003","5","39","226","","10.1039/b304010k","","","0.71069","MoKα","","0.0752","0.0455","","","0.1113","0.1303","","","","","","1.041","","","","has coordinates,has disorder","180377","2020-10-21","18:00:00",""
"7204662","6.0729","0.0001","9.4013","0.0002","20.6723","0.0004","90","","95.287","0.001","90","","1175.23","0.04","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1:1 molecular complex of 4-hydroxybenzoic acid and isonicotinamide","1:1 molecular complex of 4-hydroxybenzoic acid and isonicotinamide","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C52 H48 N8 O16 -","4","1","","Vishweshwar, Peddy; Nangia, Ashwini; Lynch, Vincent M.","Supramolecular synthons in phenol?isonicotinamide adducts","CrystEngComm","2003","5","31","164","","10.1039/b304078j","","","0.71073","MoKα","","0.0682","0.0411","","","0.0934","0.1056","","","","","","1.029","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204663","7.0307","0.0001","10.7052","0.0002","11.9562","0.0002","87.755","0.001","82.735","0.001","73.835","0.001","857.36","0.03","153","2","153","2","","","","","","","","4","P -1","-P 1","2","1:2 molecular complex of resorcinol and isonicotinamide","1:2 molecular complex of resorcinol and isonicotinamide","","- C18 H18 N4 O4 -","- C18 H18 N4 O4 -","- C36 H36 N8 O8 -","2","1","","Vishweshwar, Peddy; Nangia, Ashwini; Lynch, Vincent M.","Supramolecular synthons in phenol?isonicotinamide adducts","CrystEngComm","2003","5","31","164","","10.1039/b304078j","","","0.71073","MoKα","","0.0623","0.0413","","","0.1043","0.1154","","","","","","1.07","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204664","7.4967","0.0001","8.8748","0.0001","15.2793","0.0003","95.1886","0.0006","97.479","0.0006","105.77","0.0007","961.5","0.03","153","2","153","2","","","","","","","","4","P -1","-P 1","2","1:2 molecular complex of phloroglucinol and isonicotinamide dihydrate","1:2 molecular complex of phloroglucinol and isonicotinamide dihydrate","","- C18 H22 N4 O7 -","- C18 H22 N4 O7 -","- C36 H44 N8 O14 -","2","1","","Vishweshwar, Peddy; Nangia, Ashwini; Lynch, Vincent M.","Supramolecular synthons in phenol?isonicotinamide adducts","CrystEngComm","2003","5","31","164","","10.1039/b304078j","","","0.71073","MoKα","","0.0467","0.0363","","","0.0926","0.0988","","","","","","1.051","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204665","14.2811","0.0004","5.4136","0.0002","11.911","0.0003","90","","111.934","0.001","90","","854.21","0.05","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1:2 molecular complex of hydroquinone and isonicotinamide","1:2 molecular complex of hydroquinone and isonicotinamide","","- C9 H9 N2 O2 -","- C9 H9 N2 O2 -","- C36 H36 N8 O8 -","4","1","","Vishweshwar, Peddy; Nangia, Ashwini; Lynch, Vincent M.","Supramolecular synthons in phenol?isonicotinamide adducts","CrystEngComm","2003","5","31","164","","10.1039/b304078j","","","0.71073","MoKα","","0.0832","0.0442","","","0.0957","0.1131","","","","","","1.04","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204666","21.731","0.004","10.588","0.002","11.685","0.002","90","","110.5","0.03","90","","2518.3","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 Fe N4 O4 S -","- C26 H28 Fe N4 O4 S -","- C104 H112 Fe4 N16 O16 S4 -","4","0.5","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Rizzato, Silvia","New architectures from the self-assembly of MIISO4 salts with bis(4-pyridyl) ligands. The first case of polycatenation involving three distinct sets of 2D polymeric (4,4)-layers parallel to a common axis","CrystEngComm","2003","5","34","190","","10.1039/b304201d","","","0.71073","MoKα","","0.0732","0.0358","","0.0817","0.0739","","","","0.895","","","","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204667","6.8307","0.001","6.8307","0.001","14.404","0.002","90","","90","","90","","672.07","0.17","293","2","293","2","","","","","","","","6","P -4 21 m","P -4 2ab","113","","","","- C12 H8 Cd N2 O4 S -","- C12 H8 Cd N2 O4 S -","- C24 H16 Cd2 N4 O8 S2 -","2","0.25","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Rizzato, Silvia","New architectures from the self-assembly of MIISO4 salts with bis(4-pyridyl) ligands. The first case of polycatenation involving three distinct sets of 2D polymeric (4,4)-layers parallel to a common axis","CrystEngComm","2003","5","34","190","","10.1039/b304201d","","","0.71073","MoKα","","0.0231","0.0208","","0.0483","0.0479","","","","1.044","","","","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204668","9.399","0.003","9.496","0.003","10.073","0.004","62.11","0.02","89.18","0.02","73","0.02","751.9","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H18 Cu N2 O7 S -","- C12 H12 Cu N2 O7 S -","- C24 H24 Cu2 N4 O14 S2 -","2","1","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Rizzato, Silvia","New architectures from the self-assembly of MIISO4 salts with bis(4-pyridyl) ligands. The first case of polycatenation involving three distinct sets of 2D polymeric (4,4)-layers parallel to a common axis","CrystEngComm","2003","5","34","190","","10.1039/b304201d","","","0.71073","MoKα","","0.0739","0.0439","","0.1312","0.1199","","","","1.082","","","","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204669","23.35","0.011","19.882","0.009","13.644","0.006","90","","106.29","0.02","90","","6080","5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H44 Co2 N6 O10 S2 -","- C38 H42 Co2 N6 O10 S2 -","- C152 H168 Co8 N24 O40 S8 -","4","0.5","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Rizzato, Silvia","New architectures from the self-assembly of MIISO4 salts with bis(4-pyridyl) ligands. The first case of polycatenation involving three distinct sets of 2D polymeric (4,4)-layers parallel to a common axis","CrystEngComm","2003","5","34","190","","10.1039/b304201d","","","0.71073","MoKα","","0.1023","0.0679","","0.1921","0.1807","","","","0.939","","","","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204670","21.485","0.003","27.235","0.004","26.925","0.004","90","","90.24","0.01","90","","15755","4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C120 H152 N20 Ni6 O40 S6 -","- C120 H120 N20 Ni6 O40 S6 -","- C480 H480 N80 Ni24 O160 S24 -","4","1","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Rizzato, Silvia","New architectures from the self-assembly of MIISO4 salts with bis(4-pyridyl) ligands. The first case of polycatenation involving three distinct sets of 2D polymeric (4,4)-layers parallel to a common axis","CrystEngComm","2003","5","34","190","","10.1039/b304201d","","","0.71073","MoKα","","0.1647","0.1123","","0.3173","0.2802","","","","0.881","","","","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204675","15.2583","0.001","9.7626","0.0008","8.294","0.0005","90","","97.46","0.008","90","","1225.02","0.15","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 Fe O2 -","- C14 H18 Fe O2 -","- C56 H72 Fe4 O8 -","4","1","","Michael Schmittel; Mukul Lal; Marc Schlosser; Hans-Jörg Deiseroth","Unusual ladder-like supramolecular arrangement by cooperative effect of bifurcated O‒HO hydrogen bonding in crystals of racemic 4-ferrocenylbutan-1,2-diol","CrystEngComm","2003","5","50","294","299","10.1039/b304427k","","","0.71073","MoKα","","0.0354","0.027","","","0.0674","0.0697","","","","","","1.05","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204676","8.06","0.0002","15.039","0.0004","16.817","0.0006","83.761","0.001","77.324","0.0011","88.522","0.002","1976.99","0.1","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C46.5 H36 Cl3.5 N5 O3 -","- C46.417 H34.434 Cl3.416 N5 O3 -","- C92.834 H68.868 Cl6.832 N10 O6 -","2","1","","Vinodu, Mikki; Goldberg, Israel","New assembly modes of porphyrin-based networks","CrystEngComm","2003","5","36","204","","10.1039/b304665f","","","0.71073","MoKα","","0.1054","0.0661","","","0.1686","0.1933","","","","","","1.006","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204677","5.2961","0.0002","7.8521","0.0003","7.9506","0.0004","90.03","0.002","106.037","0.002","95.972","0.003","315.89","0.02","143","2","143","2","","","","","","","","5","P 1","P 1","1","","","","- C5 H8 Li N O4 -","- C5 H8 Li N O4 -","- C10 H16 Li2 N2 O8 -","2","2","","Wiesbrock, Frank; Schmidbaur, Hubert","Lithium l-hydrogen-?-glutamate: A layer structure with asymmetrical tunnels formed by nets with two different macrocycles","CrystEngComm","2003","5","45","262","","10.1039/b304689c","","","0.71073","MoKα","","0.0278","0.0262","","","0.0614","0.0627","","","","","","1.067","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204678","10.423","0.004","7.033","0.003","8.951","0.004","90","","90","","90","","656.2","0.5","183","2","183","2","","","","","","","","3","P n m a","-P 2ac 2n","62","4-ethynylaniline","4-ethynylaniline","","- C8 H7 N -","- C8 H7 N -","- C32 H28 N4 -","4","0.5","","Dey, Archan; Jetti, Ram K. R.; Boese, Roland; Desiraju, Gautam R.","Supramolecular equivalence of halogen, ethynyl and hydroxy groups. A comparison of the crystal structures of some 4-substituted anilines","CrystEngComm","2003","5","43","248","","10.1039/b304785g","","","0.71073","MoKα","","0.0605","0.0544","","","0.1528","0.1641","","","","","","1.057","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204679","8.594","0.002","7.6166","0.0019","9.469","0.002","90","","90","","90","","619.8","0.2","203","2","203","2","","","","","","","","4","P n m a","-P 2ac 2n","62","4-bromoaniline","4-bromoaniline","","- C6 H5 Br N -","- C6 H5 Br N -","- C24 H20 Br4 N4 -","4","0.5","","Dey, Archan; Jetti, Ram K. R.; Boese, Roland; Desiraju, Gautam R.","Supramolecular equivalence of halogen, ethynyl and hydroxy groups. A comparison of the crystal structures of some 4-substituted anilines","CrystEngComm","2003","5","43","248","","10.1039/b304785g","","","0.71073","MoKα","","0.0581","0.037","","","0.0929","0.1071","","","","","","1.108","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204680","8.422","0.007","4.965","0.004","8.645","0.007","90","","109.79","0.013","90","","340.1","0.5","203","2","203","2","","","","","","","","4","P 1 21 1","P 2yb","4","4-iodoaniline","4-iodoaniline","","- C6 H6 I N -","- C6 H6 I N -","- C12 H12 I2 N2 -","2","1","","Dey, Archan; Jetti, Ram K. R.; Boese, Roland; Desiraju, Gautam R.","Supramolecular equivalence of halogen, ethynyl and hydroxy groups. A comparison of the crystal structures of some 4-substituted anilines","CrystEngComm","2003","5","43","248","","10.1039/b304785g","","","0.71073","MoKα","","0.0423","0.0391","","","0.0958","0.0974","","","","","","1.03","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204682","6.961","0.001","14.442","0.003","7.434","0.001","90","","92.02","0.03","90","","746.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H6 Co N O5 -","- C5 H6 Co N O5 -","- C20 H24 Co4 N4 O20 -","4","1","","Fernando S. Delgado; Joaquín Sanchiz; Catalina Ruiz-Pérez; Francesc Lloret; Miguel Julve","High-dimensional malonate-based materials: Synthesis, crystal structures and magnetic properties of [M2(mal)2(L)(H2O)2]n·n(H2O) M = Zn(II), Co(II); H2mal = malonic acid, L = pyrimidine, pyrazine","CrystEngComm","2003","5","48","280","284","10.1039/b305356c","","","0.71069","MoKα","","0.0774","0.036","","","0.0826","0.0934","","","","","","1.002","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204683","6.9461","0.0012","14.269","0.003","7.432","0.001","90","","92.232","0.016","90","","736.1","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H6 N O5 Zn -","- C5 H6 N O5 Zn -","- C20 H24 N4 O20 Zn4 -","4","1","","Fernando S. Delgado; Joaquín Sanchiz; Catalina Ruiz-Pérez; Francesc Lloret; Miguel Julve","High-dimensional malonate-based materials: Synthesis, crystal structures and magnetic properties of [M2(mal)2(L)(H2O)2]n·n(H2O) M = Zn(II), Co(II); H2mal = malonic acid, L = pyrimidine, pyrazine","CrystEngComm","2003","5","48","280","284","10.1039/b305356c","","","0.71073","MoKα","","0.136","0.0518","","","0.0857","0.0969","","","","","","0.923","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204684","16.802","0.002","6.8884","0.0004","7.4787","0.0011","90","","115.119","0.01","90","","783.72","0.17","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C5 H6 Co N O5 -","- C5 H4.5 Co N O5 -","- C20 H18 Co4 N4 O20 -","4","1","","Fernando S. Delgado; Joaquín Sanchiz; Catalina Ruiz-Pérez; Francesc Lloret; Miguel Julve","High-dimensional malonate-based materials: Synthesis, crystal structures and magnetic properties of [M2(mal)2(L)(H2O)2]n·n(H2O) M = Zn(II), Co(II); H2mal = malonic acid, L = pyrimidine, pyrazine","CrystEngComm","2003","5","48","280","284","10.1039/b305356c","","","0.71073","MoKα","","0.0793","0.0747","","","0.1915","0.1962","","","","","","1.144","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204685","16.546","0.002","6.929","0.0005","7.4783","0.0008","90","","113.472","0.005","90","","786.42","0.14","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C5 H6 N O5 Zn -","- C5 H4 N O5 Zn -","- C20 H16 N4 O20 Zn4 -","4","1","","Fernando S. Delgado; Joaquín Sanchiz; Catalina Ruiz-Pérez; Francesc Lloret; Miguel Julve","High-dimensional malonate-based materials: Synthesis, crystal structures and magnetic properties of [M2(mal)2(L)(H2O)2]n·n(H2O) M = Zn(II), Co(II); H2mal = malonic acid, L = pyrimidine, pyrazine","CrystEngComm","2003","5","48","280","284","10.1039/b305356c","","","0.71073","MoKα","","0.0563","0.0411","","","0.1137","0.1218","","","","","","1.104","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204686","7.481","0.0006","12.2434","0.001","10.8863","0.0009","90","","108.526","0.002","90","","945.44","0.13","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H11 Hg N S2 -","- C7 H11 Hg N S2 -","- C28 H44 Hg4 N4 S8 -","4","1","","Sing Lai, Chian; Tiekink, Edward R. T.","Supramolecular association in organomercury(ii) 1,1-dithiolates. Complementarity between Hg?S and hydrogen bonding interactions in organomercury(ii) 2-amino-cyclopent-1-ene-1-carbodithioates","CrystEngComm","2003","5","44","253","","10.1039/b305363f","","","0.71069","MoKα","","0.041","0.031","","","0.065","0.069","","","","","","1.02","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204687","12.3186","0.0014","12.7707","0.0015","12.3438","0.0013","90","","91.394","0.002","90","","1941.3","0.4","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H11 Hg N S2 -","- C7 H11 Hg N S2 -","- C56 H88 Hg8 N8 S16 -","8","2","","Sing Lai, Chian; Tiekink, Edward R. T.","Supramolecular association in organomercury(ii) 1,1-dithiolates. Complementarity between Hg?S and hydrogen bonding interactions in organomercury(ii) 2-amino-cyclopent-1-ene-1-carbodithioates","CrystEngComm","2003","5","44","253","","10.1039/b305363f","","","0.71069","MoKα","","0.116","0.055","","","0.109","0.131","","","","","","0.96","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204688","11.1294","0.0007","8.9365","0.0006","25.7799","0.0016","90","","90","","90","","2564","0.3","183","2","183","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H13 Hg N S2 -","- C12 H13 Hg N S2 -","- C96 H104 Hg8 N8 S16 -","8","1","","Sing Lai, Chian; Tiekink, Edward R. T.","Supramolecular association in organomercury(ii) 1,1-dithiolates. Complementarity between Hg?S and hydrogen bonding interactions in organomercury(ii) 2-amino-cyclopent-1-ene-1-carbodithioates","CrystEngComm","2003","5","44","253","","10.1039/b305363f","","","0.71069","MoKα","","0.047","0.032","","","0.068","0.073","","","","","","1.06","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204690","8.6181","0.0016","15.486","0.003","13.996","0.003","90","","93.97","0.003","90","","1863.4","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H30 N15 P3 -","- C6 H30 N15 P3 -","- C24 H120 N60 P12 -","4","1","","Chandrasekhar, Vadapalli; Krishnan, Venkatasubbaiah; Thangavelu Senthil Andavan, Gurusamy; Steiner, Alexander; Zacchini, Stefano","Cyclophosphazene supramolecular assemblies: N?H?N and C?H?N mediated supramolecular networks in the crystal structures of N3P3[N(Me)NH2]6 and spiro-N3P3[O2C12H8][N(Me)NH2]4","CrystEngComm","2003","5","42","245","","10.1039/b305694e","","","0.71073","MoKα","","0.0312","0.0293","","","0.0798","0.081","","","","","","1.063","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204691","17.227","0.003","31.187","0.006","8.3154","0.0017","90","","90.91","0.03","90","","4467","1.5","150","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H28 N11 O2 P3 -","- C16 H28 N11 O2 P3 -","- C128 H224 N88 O16 P24 -","8","2","","Chandrasekhar, Vadapalli; Krishnan, Venkatasubbaiah; Thangavelu Senthil Andavan, Gurusamy; Steiner, Alexander; Zacchini, Stefano","Cyclophosphazene supramolecular assemblies: N?H?N and C?H?N mediated supramolecular networks in the crystal structures of N3P3[N(Me)NH2]6 and spiro-N3P3[O2C12H8][N(Me)NH2]4","CrystEngComm","2003","5","42","245","","10.1039/b305694e","","","0.71073","MoKα","","0.0799","0.0591","","","0.1392","0.1559","","","","","","0.975","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204692","8.5038","0.001","8.8887","0.001","11.5366","0.0013","93.953","0.002","107.892","0.002","92.848","0.002","825.57","0.16","293","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H34 I6 N2 Pd2 -","- C22 H34 I6 N2 Pd2 -","- C22 H34 I6 N2 Pd2 -","1","0.5","","Neve, Francesco; Crispini, Alessandra","N,N?-Dodecamethylene-bis(pyridinium) goes lamellar. Role of C?H?I, C?H?M, and I?I interactions in the crystal structure of its hexaiododipalladate(II) derivativeElectronic supplementary information (ESI) available: Figure S1, Table S1. See http://www.rsc.org/suppdata/ce/b3/b305804b/","CrystEngComm","2003","5","46","265","","10.1039/b305804b","","","0.71073","MoKα","","0.0509","0.0402","","","0.1041","0.112","","","","","","0.942","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204697","16.248","0.004","19.603","0.004","26.44","0.008","90","","90","","90","","8421","4","294","","","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C40 H33 Fe Hg I4 N7 O -","- C40 H29 Fe Hg I4 N7 O -","- C320 H232 Fe8 Hg8 I32 N56 O8 -","8","1","","Maharaj, Felicia; Russell, Vanessa; Chow, Hong; Page, Michael; Scudder, Marcia; Craig, Don; Dance, Ian","Polymorphs and pseudo-polymorphs: nine crystals containing [Fe(phen)3]2+ associated with [HgI4]2?","CrystEngComm","2003","5","49","285","","10.1039/b306750e","","","0.71073","MoKα","","","0.043","","","","0.047","","","","","","1.34","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204698","11.2","0.002","13.028","0.003","14.62","0.003","87.378","0.003","75.441","0.003","83.887","0.003","2052.6","0.7","150","","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H32 Fe Hg I4 N6 O2 -","- C39 H32 Fe Hg I4 N6 O2 -","- C78 H64 Fe2 Hg2 I8 N12 O4 -","2","1","","Maharaj, Felicia; Russell, Vanessa; Chow, Hong; Page, Michael; Scudder, Marcia; Craig, Don; Dance, Ian","Polymorphs and pseudo-polymorphs: nine crystals containing [Fe(phen)3]2+ associated with [HgI4]2?","CrystEngComm","2003","5","49","285","","10.1039/b306750e","","","0.71073","MoKα","","","0.024","","","","0.037","","","","","","1.28","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204699","11.384","0.005","12.659","0.006","14.885","0.007","89.37","0.02","73.79","0.03","84.19","0.04","2048.9","1.7","294","","","","","","","","","","","7","P -1","-P 1","2","","","","- C39 H32 Fe Hg I4 N6 O2 -","- C39 H30 Fe Hg I4 N6 O2 -","- C78 H60 Fe2 Hg2 I8 N12 O4 -","2","1","","Maharaj, Felicia; Russell, Vanessa; Chow, Hong; Page, Michael; Scudder, Marcia; Craig, Don; Dance, Ian","Polymorphs and pseudo-polymorphs: nine crystals containing [Fe(phen)3]2+ associated with [HgI4]2?","CrystEngComm","2003","5","49","285","","10.1039/b306750e","","","0.71073","MoKα","","","0.05","","","","0.059","","","","","","1.86","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204700","11.585","0.006","12.543","0.007","17.013","0.008","70.16","0.03","76.87","0.03","84.26","0.03","2264","2","294","","","","","","","","","","","7","P -1","-P 1","2","","","","- C42 H38 Fe Hg I4 N8 O2 -","- C42 H38 Fe Hg I4 N8 O2 -","- C84 H76 Fe2 Hg2 I8 N16 O4 -","2","1","","Maharaj, Felicia; Russell, Vanessa; Chow, Hong; Page, Michael; Scudder, Marcia; Craig, Don; Dance, Ian","Polymorphs and pseudo-polymorphs: nine crystals containing [Fe(phen)3]2+ associated with [HgI4]2?","CrystEngComm","2003","5","49","285","","10.1039/b306750e","","","0.71073","MoKα","","","0.035","","","","0.043","","","","","","1.4","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204701","9.709","0.004","9.885","0.004","10.814","0.005","76.06","0.02","83.63","0.02","87.07","0.03","1000.8","0.7","294","","","","","","","","","","","7","P 1","P 1","1","","","","- C39 H30 Fe Hg I4 N6 O -","- C39 H30 Fe Hg I4 N6 O -","- C39 H30 Fe Hg I4 N6 O -","1","1","","Maharaj, Felicia; Russell, Vanessa; Chow, Hong; Page, Michael; Scudder, Marcia; Craig, Don; Dance, Ian","Polymorphs and pseudo-polymorphs: nine crystals containing [Fe(phen)3]2+ associated with [HgI4]2?","CrystEngComm","2003","5","49","285","","10.1039/b306750e","","","0.71073","MoKα","","","0.061","","","","0.068","","","","","","1.96","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204702","10.18","0.006","17.079","0.007","23.62","0.008","90","","97.22","0.03","90","","4074","3","294","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H27 Fe Hg I4 N6 O1.5 -","- C36 H24 Fe Hg I4 N6 O1.5 -","- C144 H96 Fe4 Hg4 I16 N24 O6 -","4","1","","Maharaj, Felicia; Russell, Vanessa; Chow, Hong; Page, Michael; Scudder, Marcia; Craig, Don; Dance, Ian","Polymorphs and pseudo-polymorphs: nine crystals containing [Fe(phen)3]2+ associated with [HgI4]2?","CrystEngComm","2003","5","49","285","","10.1039/b306750e","","","0.71073","MoKα","","","0.052","","","","0.058","","","","","","1.63","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204703","19.18","0.006","19.465","0.003","13.492","0.004","90","","109.44","0.01","90","","4750","2","294","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H38 Fe Hg I4 N8 O2 -","- C42 H38 Fe Hg I4 N8 O2 -","- C168 H152 Fe4 Hg4 I16 N32 O8 -","4","1","","Maharaj, Felicia; Russell, Vanessa; Chow, Hong; Page, Michael; Scudder, Marcia; Craig, Don; Dance, Ian","Polymorphs and pseudo-polymorphs: nine crystals containing [Fe(phen)3]2+ associated with [HgI4]2?","CrystEngComm","2003","5","49","285","","10.1039/b306750e","","","0.71073","MoKα","","","0.035","","","","0.042","","","","","","1.3","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204704","11.442","0.011","12.816","0.007","14.937","0.009","82.22","0.04","81.78","0.04","82.97","0.04","2136","3","294","","","","","","","","","","","8","P -1","-P 1","2","","","","- C38 H32 Fe Hg I4 N6 O2 S -","- C38 H30 Fe Hg I4 N6 O2 S -","- C76 H60 Fe2 Hg2 I8 N12 O4 S2 -","2","1","","Maharaj, Felicia; Russell, Vanessa; Chow, Hong; Page, Michael; Scudder, Marcia; Craig, Don; Dance, Ian","Polymorphs and pseudo-polymorphs: nine crystals containing [Fe(phen)3]2+ associated with [HgI4]2?","CrystEngComm","2003","5","49","285","","10.1039/b306750e","","","0.71073","MoKα","","","0.071","","","","0.088","","","","","","1.67","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204705","10.3426","0.0015","10.3426","0.0015","8.9709","0.0018","90","","90","","120","","831","0.2","293","2","293","2","","","","","","","","4","P -3","-P 3","147","tris(galactarato)dilanthanum(iii)octahydrate","tris(galactarato)dilanthanum(III)octahydrate","","- C18 H40 La2 O32 -","- C18 H12 La2 O32.232 -","- C18 H12 La2 O32.232 -","1","0.166667","","Abrahams, Brendan F.; Moylan, Michael; Orchard, Simon D.; Robson, Richard","Channel-containing lanthanide mucate structuresElectronic Supplementary Information (ESI) available: Figures 1S?5S. See http://www.rsc.org/suppdata/ce/b3/b306838b/","CrystEngComm","2003","5","55","313","","10.1039/b306838b","","","0.71073","MoKα","","0.0228","0.0228","","","0.0596","0.0596","","","","","","1.156","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204706","10.288","0.0015","10.288","0.0015","8.9427","0.0018","90","","90","","120","","819.7","0.2","293","2","293","2","","","","","","","","4","P -3","-P 3","147","tris(galactarato)dicerium(iii)octahydrate","tris(galactarato)dicerium(III)octahydrate","","- C18 H40 Ce2 O32 -","- C18 H12 Ce2 O31.296 -","- C18 H12 Ce2 O31.296 -","1","0.166667","","Abrahams, Brendan F.; Moylan, Michael; Orchard, Simon D.; Robson, Richard","Channel-containing lanthanide mucate structuresElectronic Supplementary Information (ESI) available: Figures 1S?5S. See http://www.rsc.org/suppdata/ce/b3/b306838b/","CrystEngComm","2003","5","55","313","","10.1039/b306838b","","","0.71073","MoKα","","0.0229","0.0229","","","0.0596","0.0596","","","","","","1.144","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204707","10.2182","0.0014","10.2182","0.0014","8.9084","0.0018","90","","90","","120","","805.5","0.2","293","2","293","2","","","","","","","","4","P -3","-P 3","147","tris(galactarato)dipraseodymium(iii)octahydrate","tris(galactarato)dipraseodymium(III)octahydrate","","- C18 H40 O32 Pr2 -","- C18 H12 O32.58 Pr2 -","- C18 H12 O32.58 Pr2 -","1","0.166667","","Abrahams, Brendan F.; Moylan, Michael; Orchard, Simon D.; Robson, Richard","Channel-containing lanthanide mucate structuresElectronic Supplementary Information (ESI) available: Figures 1S?5S. See http://www.rsc.org/suppdata/ce/b3/b306838b/","CrystEngComm","2003","5","55","313","","10.1039/b306838b","","","0.71073","MoKα","","0.0315","0.0314","","","0.0773","0.0773","","","","","","1.081","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204708","10.2151","0.0014","10.2151","0.0014","8.9021","0.0018","90","","90","","120","","804.5","0.2","293","2","293","2","","","","","","","","4","P -3","-P 3","147","tris(galactarato)dineodymium(iii)octahydrate","tris(galactarato)dineodymium(III)octahydrate","","- C18 H40 Nd2 O32 -","- C18 H12 Nd2 O32.148 -","- C18 H12 Nd2 O32.148 -","1","0.166667","","Abrahams, Brendan F.; Moylan, Michael; Orchard, Simon D.; Robson, Richard","Channel-containing lanthanide mucate structuresElectronic Supplementary Information (ESI) available: Figures 1S?5S. See http://www.rsc.org/suppdata/ce/b3/b306838b/","CrystEngComm","2003","5","55","313","","10.1039/b306838b","","","0.71073","MoKα","","0.0212","0.0211","","","0.0565","0.0565","","","","","","1.142","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204709","10.8647","0.0009","19.681","0.0016","19.974","0.0017","90","","90","","90","","4271","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","tetraaquotris(galactarato)dineodymium(iii)decahydrate","tetraaquotris(galactarato)dineodymium(III)decahydrate","","- C18 H52 Nd2 O38 -","- C18 H12 Nd2 O38 -","- C72 H48 Nd8 O152 -","4","0.5","","Abrahams, Brendan F.; Moylan, Michael; Orchard, Simon D.; Robson, Richard","Channel-containing lanthanide mucate structuresElectronic Supplementary Information (ESI) available: Figures 1S?5S. See http://www.rsc.org/suppdata/ce/b3/b306838b/","CrystEngComm","2003","5","55","313","","10.1039/b306838b","","","0.71073","MoKα","","0.0769","0.0503","","","0.1016","0.1102","","","","","","1.086","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204710","10.761","0.004","19.427","0.007","19.681","0.007","90","","90","","90","","4114","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","tetraaquotris(galactarato)dieuropium(iii)decahydrate","tetraaquotris(galactarato)dieuropium(III)decahydrate","","- C18 H52 Eu2 O38 -","- C18 H12 Eu2 O38 -","- C72 H48 Eu8 O152 -","4","0.5","","Abrahams, Brendan F.; Moylan, Michael; Orchard, Simon D.; Robson, Richard","Channel-containing lanthanide mucate structuresElectronic Supplementary Information (ESI) available: Figures 1S?5S. See http://www.rsc.org/suppdata/ce/b3/b306838b/","CrystEngComm","2003","5","55","313","","10.1039/b306838b","","","0.71073","MoKα","","0.114","0.071","","","0.1249","0.1384","","","","","","1.145","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204715","11.049","0.002","9.568","0.002","8.767","0.002","90","","102.35","0.01","90","","905.4","0.3","294","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Fe2 -","- C24 H18 Fe2 -","- C48 H36 Fe4 -","2","0.5","","Maharaj, Felicia; McDonagh, Andrew; Scudder, Marcia; Craig, Don; Dance, Ian","Crystal packing principles for ferrocenyl groups linked by polyyne chains: dimorphism of Fc-C4-Fc","CrystEngComm","2003","5","53","305","","10.1039/b307082d","","","0.71073","MoKα","","","0.025","","","","0.038","","","","","","1.47","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204716","13.1315","0.001","14.2151","0.0011","14.6358","0.0011","109.428","0.001","112.98","0.001","97.464","0.002","2263.3","0.3","116","2","116","2","","","","","","","","4","P -1","-P 1","2","","","","- C55 H52 N2 O8 -","- C55 H52 N2 O8 -","- C110 H104 N4 O16 -","2","1","","Nakamura, A.; Sato, T.; Kuroda, R.","Novel layered structures of the crystals based on C-methylcalix[4]resorcinarene formed at high temperatureElectronic supplementary information (ESI) available: Structures of compounds 8, 9, 10 and 12 (4 figures). See http://www.rsc.org/suppdata/ce/b3/b307471d/","CrystEngComm","2003","5","56","318","","10.1039/b307471d","","","0.71073","MoKα","","0.0559","0.0406","","","0.0952","0.0984","","","","","","0.933","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204717","17.4271","0.0011","13.5493","0.0008","21.605","0.0014","90","","95.172","0.002","90","","5080.7","0.5","116","2","116","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C62 H60 N2 O8 -","- C62 H60 N2 O8 -","- C248 H240 N8 O32 -","4","1","","Nakamura, A.; Sato, T.; Kuroda, R.","Novel layered structures of the crystals based on C-methylcalix[4]resorcinarene formed at high temperatureElectronic supplementary information (ESI) available: Structures of compounds 8, 9, 10 and 12 (4 figures). See http://www.rsc.org/suppdata/ce/b3/b307471d/","CrystEngComm","2003","5","56","318","","10.1039/b307471d","","","0.71073","MoKα","","0.1109","0.0474","","","0.0743","0.0836","","","","","","0.717","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204718","11.5406","0.0006","14.0385","0.0008","15.682","0.0009","71.78","0.001","75.01","0.001","65.873","0.001","2177.2","0.2","116","2","116","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H56 N2 O9 -","- C52 H56 N2 O9 -","- C104 H112 N4 O18 -","2","1","","Nakamura, A.; Sato, T.; Kuroda, R.","Novel layered structures of the crystals based on C-methylcalix[4]resorcinarene formed at high temperatureElectronic supplementary information (ESI) available: Structures of compounds 8, 9, 10 and 12 (4 figures). See http://www.rsc.org/suppdata/ce/b3/b307471d/","CrystEngComm","2003","5","56","318","","10.1039/b307471d","","","0.71073","MoKα","","0.0662","0.0532","","","0.1194","0.1276","","","","","","1.061","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204719","20.7807","0.0017","16.339","0.0014","15.4817","0.0013","90","","98.073","0.002","90","","5204.5","0.8","116","2","116","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C63 H66 N4 O9 -","- C63 H65 N4 O9 -","- C252 H260 N16 O36 -","4","1","","Nakamura, A.; Sato, T.; Kuroda, R.","Novel layered structures of the crystals based on C-methylcalix[4]resorcinarene formed at high temperatureElectronic supplementary information (ESI) available: Structures of compounds 8, 9, 10 and 12 (4 figures). See http://www.rsc.org/suppdata/ce/b3/b307471d/","CrystEngComm","2003","5","56","318","","10.1039/b307471d","","","0.71073","MoKα","","0.0942","0.0565","","","0.146","0.1701","","","","","","1.02","","","","has coordinates,has disorder","180378","2020-10-21","18:00:00",""
"7204720","15.9821","0.0016","14.3963","0.0015","23.765","0.002","90","","90","","90","","5467.9","0.9","116","2","116","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C33 H34 N2 O4.5 -","- C33 H34 N2 O4.5 -","- C264 H272 N16 O36 -","8","1","","Nakamura, A.; Sato, T.; Kuroda, R.","Novel layered structures of the crystals based on C-methylcalix[4]resorcinarene formed at high temperatureElectronic supplementary information (ESI) available: Structures of compounds 8, 9, 10 and 12 (4 figures). See http://www.rsc.org/suppdata/ce/b3/b307471d/","CrystEngComm","2003","5","56","318","","10.1039/b307471d","","","0.71073","MoKα","","0.0978","0.0686","","","0.1871","0.2052","","","","","","0.977","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204721","11.7903","0.0008","14.9265","0.001","15.6196","0.0011","94.159","0.001","92.529","0.001","100.758","0.001","2688.8","0.3","116","2","116","2","","","","","","","","4","P -1","-P 1","2","","","","- C65 H64 N4 O8 -","- C65 H64 N4 O8 -","- C130 H128 N8 O16 -","2","1","","Nakamura, A.; Sato, T.; Kuroda, R.","Novel layered structures of the crystals based on C-methylcalix[4]resorcinarene formed at high temperatureElectronic supplementary information (ESI) available: Structures of compounds 8, 9, 10 and 12 (4 figures). See http://www.rsc.org/suppdata/ce/b3/b307471d/","CrystEngComm","2003","5","56","318","","10.1039/b307471d","","","0.71073","MoKα","","0.1021","0.073","","","0.1476","0.1614","","","","","","1.081","","","","has coordinates,has disorder","180378","2020-10-21","18:00:00",""
"7204722","10.3752","0.0005","12.2621","0.0006","20.1337","0.001","95.181","0.001","103.948","0.001","94.166","0.001","2463.9","0.2","116","2","116","2","","","","","","","","4","P -1","-P 1","2","","","","- C62 H50 N3 O8 -","- C62 H50 N3 O8 -","- C124 H100 N6 O16 -","2","1","","Nakamura, A.; Sato, T.; Kuroda, R.","Novel layered structures of the crystals based on C-methylcalix[4]resorcinarene formed at high temperatureElectronic supplementary information (ESI) available: Structures of compounds 8, 9, 10 and 12 (4 figures). See http://www.rsc.org/suppdata/ce/b3/b307471d/","CrystEngComm","2003","5","56","318","","10.1039/b307471d","","","0.71073","MoKα","","0.0656","0.0538","","","0.1272","0.1354","","","","","","1.064","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204723","11.1453","0.0005","24.728","0.0012","13.097","0.0006","90","","102.415","0.001","90","","3525.1","0.3","116","2","116","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C42.75 H41.25 N2 O5.25 -","- C42.75 H41.5 N2 O5.25 -","- C171 H166 N8 O21 -","4","1","","Nakamura, A.; Sato, T.; Kuroda, R.","Novel layered structures of the crystals based on C-methylcalix[4]resorcinarene formed at high temperatureElectronic supplementary information (ESI) available: Structures of compounds 8, 9, 10 and 12 (4 figures). See http://www.rsc.org/suppdata/ce/b3/b307471d/","CrystEngComm","2003","5","56","318","","10.1039/b307471d","","","0.71073","MoKα","","0.0911","0.0774","","","0.2096","0.2236","","","","","","0.916","","","","has coordinates,has disorder","180378","2020-10-21","18:00:00",""
"7204729","6.358","0.002","8.744","0.003","13.594","0.007","90","","90","","90","","755.7","0.5","173","2","173","2","","","","","","","","5","P m n b","-P 2bc 2a","62","2-Chlorocarboxypyridinium Chloride","2-Chlorocarboxypyridinium Chloride","","- C6 H5 Cl2 N O -","- C6 H5 Cl2 N O -","- C24 H20 Cl8 N4 O4 -","4","0.5","","Kalle I. Nättinen; Kari Rissanen","Chloride‒hydrogen interactions of picolinic, nicotinic and isonicotinic acid chloride hydrochlorides in the crystalline state","CrystEngComm","2003","5","57","326","330","10.1039/b307875b","","","0.71069","MoKα","","0.0324","0.0308","","","0.0758","0.0767","","","","","","1.079","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204730","7.2695","0.0005","4.9453","0.0003","20.2207","0.0016","90","","95.99","0.003","90","","722.96","0.09","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","3-Chlorocarboxypyridinium Chloride","3-Chlorocarboxypyridinium Chloride","","- C6 H5 Cl2 N O -","- C6 H5 Cl2 N O -","- C24 H20 Cl8 N4 O4 -","4","1","","Kalle I. Nättinen; Kari Rissanen","Chloride‒hydrogen interactions of picolinic, nicotinic and isonicotinic acid chloride hydrochlorides in the crystalline state","CrystEngComm","2003","5","57","326","330","10.1039/b307875b","","","0.71073","MoKα","","0.0496","0.0357","","","0.083","0.0896","","","","","","1.04","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204731","7.223","0.003","4.962","0.002","20.324","0.009","90","","97.06","0.001","90","","722.9","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","4-Chlorocarboxypyridinium Chloride","4-Chlorocarboxypyridinium Chloride","","- C6 H5 Cl2 N O -","- C6 H5 Cl2 N O -","- C24 H20 Cl8 N4 O4 -","4","1","","Kalle I. Nättinen; Kari Rissanen","Chloride‒hydrogen interactions of picolinic, nicotinic and isonicotinic acid chloride hydrochlorides in the crystalline state","CrystEngComm","2003","5","57","326","330","10.1039/b307875b","","","0.71069","MoKα","","0.0342","0.0283","","","0.0696","0.073","","","","","","1.064","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204732","11.8327","0.0005","7.6628","0.0005","14.1769","0.0007","90","","138.21","0.003","90","","856.62","0.09","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-[(Methylthio)thioxomethyl] Alanine","","- C5 H9 N O2 S2 -","- C5 H9 N O2 S2 -","- C20 H36 N4 O8 S8 -","4","1","","Wheeler, Kraig A.; Harrington, Beverly; Zapp, Matthew; Casey, Endia","Competitive N?H?O?C and N?H?S?C hydrogen bonding in alanine dithiocarbamates","CrystEngComm","2003","5","59","337","","10.1039/b308330f","","","0.71073","MoKα","","0.0911","0.0497","","","0.1134","0.1324","","","","","","1.032","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204733","8.8922","0.0014","7.4758","0.0016","14.305","0.002","90","","99.742","0.011","90","","937.2","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-[(Ethylthio)thioxomethyl] Alanine","","- C6 H11 N O2 S2 -","- C6 H11 N O2 S2 -","- C24 H44 N4 O8 S8 -","4","1","","Wheeler, Kraig A.; Harrington, Beverly; Zapp, Matthew; Casey, Endia","Competitive N?H?O?C and N?H?S?C hydrogen bonding in alanine dithiocarbamates","CrystEngComm","2003","5","59","337","","10.1039/b308330f","","","0.71073","MoKα","","0.1013","0.0505","","","0.1027","0.121","","","","","","1.007","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204734","13.198","0.004","7.613","0.002","11.927","0.004","90","","116.71","0.01","90","","1070.5","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-[(Isopropylthio)thioxomethyl] Alanine","","- C7 H13 N O2 S2 -","- C7 H13 N O2 S2 -","- C28 H52 N4 O8 S8 -","4","1","","Wheeler, Kraig A.; Harrington, Beverly; Zapp, Matthew; Casey, Endia","Competitive N?H?O?C and N?H?S?C hydrogen bonding in alanine dithiocarbamates","CrystEngComm","2003","5","59","337","","10.1039/b308330f","","","0.71073","MoKα","","0.1638","0.0744","","","0.1749","0.2184","","","","","","1.01","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204735","14.046","0.002","10.84","0.001","8.852","0.001","90","","107.97","0.01","90","","1282","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-[(Benzylthio)thioxomethyl] Alanine","","- C11 H13 N O2 S2 -","- C11 H13 N O2 S2 -","- C44 H52 N4 O8 S8 -","4","1","","Wheeler, Kraig A.; Harrington, Beverly; Zapp, Matthew; Casey, Endia","Competitive N?H?O?C and N?H?S?C hydrogen bonding in alanine dithiocarbamates","CrystEngComm","2003","5","59","337","","10.1039/b308330f","","","0.71073","MoKα","","0.0716","0.0429","","","0.0994","0.1124","","","","","","1.05","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204740","7.9431","0.0006","13.2946","0.0008","7.6992","0.0004","90","","104.125","0.004","90","","788.46","0.09","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H7 Br2 N -","- C6 H7 Br2 N -","- C24 H28 Br8 N4 -","4","1","","Jones, Peter G.; Vancea, Fabiola","Unexpected isostructurality by permutation of classical and ?weak? hydrogen bonds","CrystEngComm","2003","5","52","303","","10.1039/b309038h","","","0.71073","MoKα","","0.0229","0.0195","","","0.048","0.0488","","","","","","1.083","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204741","6.7526","0.0012","8.1793","0.0015","14.806","0.003","92.114","0.004","93.148","0.004","99.358","0.004","804.8","0.3","150","5","150","5","","","","","","","","5","P -1","-P 1","2","","","","- C10 H10 Cl6 Co N2 -","- C10 H10 Cl6 Co N2 -","- C20 H20 Cl12 Co2 N4 -","2","1","","Lee Brammer; Guillermo Mínguez Espallargas; Harry Adams","Involving metals in halogen‒halogen interactions: second-sphere Lewis acid ligands for perhalometallate ions (M‒XX'‒C)","CrystEngComm","2003","5","60","343","345","10.1039/b310412e","","","0.71073","MoKα","","0.0974","0.0496","","","0.0936","0.1091","","","","","","0.983","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204742","6.8163","0.0007","8.9754","0.001","13.7869","0.0015","86.386","0.002","85.454","0.002","86.873","0.002","838.1","0.16","150","5","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H10 Br2 Cl4 Co N2 -","- C10 H10 Br2 Cl4 Co N2 -","- C20 H20 Br4 Cl8 Co2 N4 -","2","1","","Lee Brammer; Guillermo Mínguez Espallargas; Harry Adams","Involving metals in halogen‒halogen interactions: second-sphere Lewis acid ligands for perhalometallate ions (M‒XX'‒C)","CrystEngComm","2003","5","60","343","345","10.1039/b310412e","","","0.71073","MoKα","","0.047","0.038","","","0.0946","0.0988","","","","","","0.986","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204743","6.983","0.0007","16.1749","0.0016","15.7849","0.0015","90","","96.306","0.002","90","","1772.1","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Cl4 Co I2 N2 -","- C10 H10 Cl4 Co I2 N2 -","- C40 H40 Cl16 Co4 I8 N8 -","4","1","","Lee Brammer; Guillermo Mínguez Espallargas; Harry Adams","Involving metals in halogen‒halogen interactions: second-sphere Lewis acid ligands for perhalometallate ions (M‒XX'‒C)","CrystEngComm","2003","5","60","343","345","10.1039/b310412e","","","0.71073","MoKα","","0.0668","0.0362","","","0.0585","0.0653","","","","","","0.926","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204766","7.198","0.005","12.957","0.005","18.653","0.007","90","","111.69","0.03","90","","1616.5","1.5","294","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H28 O4 -","- C16 H28 O4 -","- C64 H112 O16 -","4","1","","Alshahateet, Solhe F.; Nakano, Kazunori; Bishop, Roger; Craig, Donald C.; Harris, Kenneth D. M.; Scudder, Marcia L.","Co-crystalline hydrogen bonded solids based on the alcohol?carboxylic acid?alcohol supramolecular motif","CrystEngComm","2004","6","3","5","","10.1039/b313956e","","","0.71073","MoKα","","","0.058","","","","0.059","","","","","","1.49","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204767","10.596","0.005","9.766","0.004","35.351","0.011","90","","94.96","0.02","90","","3644","3","294","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H28 O4 -","- C20 H28 O4 -","- C160 H224 O32 -","8","1","","Alshahateet, Solhe F.; Nakano, Kazunori; Bishop, Roger; Craig, Donald C.; Harris, Kenneth D. M.; Scudder, Marcia L.","Co-crystalline hydrogen bonded solids based on the alcohol?carboxylic acid?alcohol supramolecular motif","CrystEngComm","2004","6","3","5","","10.1039/b313956e","","","1.54184","CuKα","","","0.098","","","","0.159","","","","","","2.26","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204768","6.89","0.003","13.261","0.002","18.879","0.007","90","","102.58","0.02","90","","1683.5","1","294","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H30 O3 -","- C16 H30 O3 -","- C64 H120 O12 -","4","1","","Alshahateet, Solhe F.; Nakano, Kazunori; Bishop, Roger; Craig, Donald C.; Harris, Kenneth D. M.; Scudder, Marcia L.","Co-crystalline hydrogen bonded solids based on the alcohol?carboxylic acid?alcohol supramolecular motif","CrystEngComm","2004","6","3","5","","10.1039/b313956e","","","0.71073","MoKα","","","0.08","","","","0.116","","","","","","1.82","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204777","8.7846","0.0001","12.3272","0.0002","13.4594","0.0002","70.08","0.001","76.153","0.001","83.096","0.001","1329.29","0.03","203","2","203","2","","","","","","","","4","P -1","-P 1","2","none","3,3'-bis-(4-fluorophenyl)-3H,3'H-[2,2']biindenylidene-1,1'-dione cyclopentanone solvate (1:1)","","- C35 H26 F2 O3 -","- C35 H26 F2 O3 -","- C70 H52 F4 O6 -","2","1","","Tanaka, Koichi; Yamamoto, Yohei; Caira, Mino R.","Guest-dependent photochromism of 3,3?-bis-(4-fluoro-phenyl)-3H,3?H- [2,2?]biindenylidene-1,1?-dione in its inclusion crystals","CrystEngComm","2004","6","2","1","","10.1039/b314140c","","","0.71073","MoKα","","0.0674","0.0481","","","0.1281","0.1395","","","","","","1.06","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204778","9.0486","0.0001","19.3364","0.0002","14.4056","0.0002","90","","95.365","0.001","90","","2509.47","0.05","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","none","3,3'-bis-(4-fluorophenyl)-3H,3'H-[2,2']biindenylidene-1,1'-dione dichloromethane solvate (1:1)","","- C31 H20 Cl2 F2 O2 -","- C31 H20 Cl2 F2 O2 -","- C124 H80 Cl8 F8 O8 -","4","1","","Tanaka, Koichi; Yamamoto, Yohei; Caira, Mino R.","Guest-dependent photochromism of 3,3?-bis-(4-fluoro-phenyl)-3H,3?H- [2,2?]biindenylidene-1,1?-dione in its inclusion crystals","CrystEngComm","2004","6","2","1","","10.1039/b314140c","","","0.71073","MoKα","","0.0741","0.0429","","","0.0967","0.1086","","","","","","1.022","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204779","12.8638","0.0002","15.8214","0.0002","16.1334","0.0002","88.14","0.001","88.037","0.001","84.747","0.001","3266.4","0.08","203","2","203","2","","","","","","","","4","P -1","-P 1","2","none","3,3'-bis-(4-fluorophenyl)-3H,3'H-[2,2']biindenylidene-1,1'-dione","","- C30 H18 F2 O2 -","- C30 H18 F2 O2 -","- C180 H108 F12 O12 -","6","3","","Tanaka, Koichi; Yamamoto, Yohei; Caira, Mino R.","Guest-dependent photochromism of 3,3?-bis-(4-fluoro-phenyl)-3H,3?H- [2,2?]biindenylidene-1,1?-dione in its inclusion crystals","CrystEngComm","2004","6","2","1","","10.1039/b314140c","","","0.71073","MoKα","","0.0922","0.069","","","0.1949","0.2069","","","","","","1.121","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204786","9.486","0.005","11.381","0.005","23.904","0.005","94.779","0.005","101.094","0.005","91.342","0.005","2521.6","1.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H33 Ag3 Cr3 N9 O27 -","- C42 H27 Ag3 Cr3 N9 O27 -","- C84 H54 Ag6 Cr6 N18 O54 -","2","1","","Consuelo Yuste Vivas; Fernando S. Delgado; Catalina Ruiz-Pérez; Miguel Julve","Preparation and crystal structure of the oxalato-bridged CrIII‒AgI two-dimensional compound {Ag3(H2O)[Cr(dpa)(ox)2]3}n·2nH2O (dpa = 2,2'-dipyridylamine)","CrystEngComm","2004","6","4","11","18","10.1039/b314686c","","","0.71069","MoKα","","0.0672","0.046","","","0.1147","0.1267","","","","","","1.102","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204790","9.4389","0.0011","18.206","0.002","19.514","0.002","90","","94.385","0.002","90","","3343.6","0.6","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H16 Bi F15 N2 O S3 -","- C32 H16 Bi F15 N2 O S3 -","- C128 H64 Bi4 F60 N8 O4 S12 -","4","1","","Charmant, Jonathan P. H.; Jahan, A. H. M. Monowar; Norman, Nicholas C.; Orpen, A. Guy; Podesta, Thomas J.","Coordination polymers formed by Bi(SC6F5)3 with multidentate polypyridyl ligands","CrystEngComm","2004","6","7","29","","10.1039/b315176j","","","0.71073","MoKα","","0.0536","0.0293","","","0.0533","0.0584","","","","","","0.945","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204791","8.968","0.002","16.616","0.004","24.746","0.007","90","","97.14","0.02","90","","3658.9","1.6","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H19 Bi F15 N3 O S3 -","- C33 H19 Bi F15 N3 O S3 -","- C132 H76 Bi4 F60 N12 O4 S12 -","4","1","","Charmant, Jonathan P. H.; Jahan, A. H. M. Monowar; Norman, Nicholas C.; Orpen, A. Guy; Podesta, Thomas J.","Coordination polymers formed by Bi(SC6F5)3 with multidentate polypyridyl ligands","CrystEngComm","2004","6","7","29","","10.1039/b315176j","","","0.71073","MoKα","","0.1091","0.0462","","","0.073","0.0873","","","","","","0.937","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204792","9.0368","0.0012","13.0086","0.0016","18.53","0.002","76.225","0.011","82.026","0.013","72.273","0.013","2010","0.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H26 Bi F15 N2 O2 S3 -","- C38 H26 Bi F15 N2 O2 S3 -","- C76 H52 Bi2 F30 N4 O4 S6 -","2","1","","Charmant, Jonathan P. H.; Jahan, A. H. M. Monowar; Norman, Nicholas C.; Orpen, A. Guy; Podesta, Thomas J.","Coordination polymers formed by Bi(SC6F5)3 with multidentate polypyridyl ligands","CrystEngComm","2004","6","7","29","","10.1039/b315176j","","","0.71073","MoKα","","0.048","0.0328","","","0.0795","0.0869","","","","","","1.091","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204793","7.5887","0.0018","14.181","0.006","17.931","0.005","73.275","0.013","78.66","0.02","75.19","0.02","1770.8","1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H12 Bi F15 N6 S3 -","- C36 H12 Bi F15 N6 S3 -","- C72 H24 Bi2 F30 N12 S6 -","2","1","","Charmant, Jonathan P. H.; Jahan, A. H. M. Monowar; Norman, Nicholas C.; Orpen, A. Guy; Podesta, Thomas J.","Coordination polymers formed by Bi(SC6F5)3 with multidentate polypyridyl ligands","CrystEngComm","2004","6","7","29","","10.1039/b315176j","","","0.71073","MoKα","","0.0894","0.057","","","0.1313","0.1461","","","","","","1.002","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204794","9.034","0.004","11.372","0.007","17.894","0.006","75.17","0.03","84.39","0.03","86.23","0.04","1767","1.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H12 Bi F15 N6 S3 -","- C36 H12 Bi F15 N6 S3 -","- C72 H24 Bi2 F30 N12 S6 -","2","1","","Charmant, Jonathan P. H.; Jahan, A. H. M. Monowar; Norman, Nicholas C.; Orpen, A. Guy; Podesta, Thomas J.","Coordination polymers formed by Bi(SC6F5)3 with multidentate polypyridyl ligands","CrystEngComm","2004","6","7","29","","10.1039/b315176j","","","0.71073","MoKα","","0.0649","0.0374","","","0.0677","0.0742","","","","","","0.933","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204795","7.0051","0.0005","8.6187","0.0007","18.5866","0.0015","101.186","0.002","97.114","0.002","101.401","0.002","1063.66","0.14","203","2","203","2","","","","","","","","4","P -1","-P 1","2","2-(4-(dimethylamino)phenylazo)benzoic acid, 3,5- dinitrobenzoic acid","2-[4-(dimethylamino)phenylazo]benzoic acid, 3,5-dinitrobenzoic acid","","- C22 H19 N5 O8 -","- C22 H19 N5 O8 -","- C44 H38 N10 O16 -","2","1","","Christer B. Aakeröy; John Desper; Brian A. Helfrich","Heteromeric intermolecular interactions as synthetic tools for the formation of binary co-crystals","CrystEngComm","2004","6","5","19","24","10.1039/b315181f","","","0.71073","MoKα","","0.0835","0.0471","","","0.1117","0.1278","","","","","","0.891","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204796","5.9827","0.0004","9.1713","0.0008","12.1893","0.0008","84.149","0.005","77.407","0.006","74.927","0.005","629.54","0.08","203","2","203","2","","","","","","","","4","P -1","-P 1","2","3-nitrobenzoic acid, isonicotinamide","3-nitrobenzoic acid, isonicotinamide","","- C13 H11 N3 O5 -","- C13 H11 N3 O5 -","- C26 H22 N6 O10 -","2","1","","Christer B. Aakeröy; John Desper; Brian A. Helfrich","Heteromeric intermolecular interactions as synthetic tools for the formation of binary co-crystals","CrystEngComm","2004","6","5","19","24","10.1039/b315181f","","","0.71073","MoKα","","0.1089","0.0464","","","0.091","0.1036","","","","","","0.787","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204797","22.725","0.013","5.231","0.003","20.785","0.012","90","","95.402","0.011","90","","2460","2","203","2","203","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","isonicotinamide, 4-fluorobenzoic acid","isonicotinamide, 4-fluorobenzoic acid","","- C13 H11 F N2 O3 -","- C13 H11 F N2 O3 -","- C104 H88 F8 N16 O24 -","8","1","","Christer B. Aakeröy; John Desper; Brian A. Helfrich","Heteromeric intermolecular interactions as synthetic tools for the formation of binary co-crystals","CrystEngComm","2004","6","5","19","24","10.1039/b315181f","","","0.71073","MoKα","","0.1392","0.0604","","","0.1269","0.1624","","","","","","0.868","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204798","8.0266","0.0014","8.5974","0.0016","12.514","0.002","84.563","0.003","89.934","0.004","75.345","0.003","831.5","0.3","153","2","153","2","","","","","","","","4","P -1","-P 1","2","3,5-dinitrobenzamide, 4-(dimethylamino)benzoic acid","3,5-dinitrobenzamide, 4-(dimethylamino)benzoic acid","","- C16 H16 N4 O7 -","- C16 H16 N4 O7 -","- C32 H32 N8 O14 -","2","1","","Christer B. Aakeröy; John Desper; Brian A. Helfrich","Heteromeric intermolecular interactions as synthetic tools for the formation of binary co-crystals","CrystEngComm","2004","6","5","19","24","10.1039/b315181f","","","0.71073","MoKα","","0.1191","0.0519","","","0.1092","0.1297","","","","","","0.81","","","","has coordinates,has disorder","180378","2020-10-21","18:00:00",""
"7204799","7.1538","0.0013","7.9978","0.0015","14.315","0.003","91.111","0.003","91.483","0.004","111.582","0.003","761","0.3","153","2","153","2","","","","","","","","4","P -1","-P 1","2","4-nitrobenzoic acid, 3-(dimethylamino)benzoic acid","4-nitrobenzoic acid, 3-(dimethylamino)benzoic acid","","- C16 H16 N2 O6 -","- C16 H16 N2 O6 -","- C32 H32 N4 O12 -","2","1","","Christer B. Aakeröy; John Desper; Brian A. Helfrich","Heteromeric intermolecular interactions as synthetic tools for the formation of binary co-crystals","CrystEngComm","2004","6","5","19","24","10.1039/b315181f","","","0.71073","MoKα","","0.0808","0.0412","","","0.0999","0.115","","","","","","0.859","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204800","7.6155","0.0007","7.698","0.0009","21.587","0.002","95.59","0.008","94.719","0.007","90.268","0.008","1255.1","0.2","203","2","203","2","","","","","","","","4","P -1","-P 1","2","pyrazinecarboxamide, 4-nitrobenzamide","pyrazinecarboxamide, 4-nitrobenzamide","","- C12 H11 N5 O4 -","- C12 H11 N5 O4 -","- C48 H44 N20 O16 -","4","2","","Christer B. Aakeröy; John Desper; Brian A. Helfrich","Heteromeric intermolecular interactions as synthetic tools for the formation of binary co-crystals","CrystEngComm","2004","6","5","19","24","10.1039/b315181f","","","0.71073","MoKα","","0.2052","0.0569","","","0.1127","0.1514","","","","","","0.777","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204809","10.375","0.002","12.404","0.003","22.1","0.004","90","","90.46","0.03","90","","2844","1","173","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1,4-bis(9-hydroxyfluoren-9-yl)benzene. aniline clathrate","1,4-bis(9-hydroxyfluoren-9-yl)benzene. aniline clathrate","","- C38 H29 N O2 -","- C38 H29 N O2 -","- C152 H116 N4 O8 -","4","1","","Bourne, Susan A.; Corin, Kirsten C.; Nassimbeni, Luigi R.; Weber, Edwin","pH control of guest selectivity by inclusion","CrystEngComm","2004","6","12","54","","10.1039/b315609e","","","0.71073","MoKα","","0.0755","0.0492","","","0.1189","0.1333","","","","","","1.062","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204810","22.524","0.003","22.524","0.003","16.721","0.003","90","","90","","90","","8483","2","293","2","293","2","","","","","","","","4","I -4","I -4","82","none","","","- C53 H49 N3 O2 -","- C53 H49 N3 O2 -","- C424 H392 N24 O16 -","8","1","","Bourne, Susan A.; Corin, Kirsten C.; Nassimbeni, Luigi R.; Weber, Edwin","pH control of guest selectivity by inclusion","CrystEngComm","2004","6","12","54","","10.1039/b315609e","","","0.71073","MoKα","","0.0859","0.0555","","","0.1419","0.1568","","","","","","1.071","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204815","35.283","0.004","35.283","0.004","12.499","0.001","90","","90","","120","","13475","2","173","2","173","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C38.5 H33.11 O4.06 -","- C38.51 H30 O4.05333 -","- C693.18 H540 O72.96 -","18","1","","Ingeborg Csöregh; Shinya Hirano; Shinji Toyota; Petra Bombicz; Fumio Toda","Versatility in stabilization of crystalline inclusion complexes of a bulky diol host by various closely related acidic and ester guests","CrystEngComm","2004","6","14","60","69","10.1039/b316094g","","","0.71073","MoKα","","0.0576","0.0421","","","0.1088","0.1153","","","","","","1.049","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204816","35.329","0.004","35.329","0.004","12.437","0.001","90","","90","","120","","13443","2","173","2","173","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C39 H33.39 O3.72 -","- C39.02 H30 O3.73 -","- C702.36 H540 O67.14 -","18","1","","Ingeborg Csöregh; Shinya Hirano; Shinji Toyota; Petra Bombicz; Fumio Toda","Versatility in stabilization of crystalline inclusion complexes of a bulky diol host by various closely related acidic and ester guests","CrystEngComm","2004","6","14","60","69","10.1039/b316094g","","","0.71073","MoKα","","0.0885","0.0492","","","0.099","0.1121","","","","","","0.969","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204817","35.346","0.003","35.346","0.003","12.568","0.001","90","","90","","120","","13598","2","173","2","173","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C39.33 H34 O3.56 -","- C39.2767 H30.4 O3.57 -","- C706.98 H547.2 O64.26 -","18","1","","Ingeborg Csöregh; Shinya Hirano; Shinji Toyota; Petra Bombicz; Fumio Toda","Versatility in stabilization of crystalline inclusion complexes of a bulky diol host by various closely related acidic and ester guests","CrystEngComm","2004","6","14","60","69","10.1039/b316094g","","","0.71073","MoKα","","0.0816","0.047","","","0.104","0.1184","","","","","","0.968","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204818","35.248","0.003","35.248","0.003","12.507","0.001","90","","90","","120","","13457.1","1.9","173","2","173","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C39.22 H34.5 O3.61 -","- C39.03 H30.45 O3.62 -","- C702.54 H548.1 O65.16 -","18","1","","Ingeborg Csöregh; Shinya Hirano; Shinji Toyota; Petra Bombicz; Fumio Toda","Versatility in stabilization of crystalline inclusion complexes of a bulky diol host by various closely related acidic and ester guests","CrystEngComm","2004","6","14","60","69","10.1039/b316094g","","","0.71073","MoKα","","0.0555","0.0438","","","0.1132","0.1191","","","","","","1.074","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204819","35.267","0.003","35.267","0.003","12.53","0.001","90","","90","","120","","13496.4","1.9","173","2","173","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C39.39 H33.78 O3.22 -","- C39.4 H30 O3.2 -","- C709.2 H540 O57.6 -","18","1","","Ingeborg Csöregh; Shinya Hirano; Shinji Toyota; Petra Bombicz; Fumio Toda","Versatility in stabilization of crystalline inclusion complexes of a bulky diol host by various closely related acidic and ester guests","CrystEngComm","2004","6","14","60","69","10.1039/b316094g","","","0.71073","MoKα","","0.0921","0.0743","","","0.1241","0.1341","","","","","","1.047","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204820","7.3564","0.0002","6.2253","0.0002","18.6804","0.0006","90","","97.946","0.001","90","","847.27","0.04","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","octafluoronaphthalene : biphenyl, 1:1 complex","","- C22 H10 F8 -","- C22 H10 F8 -","- C44 H20 F16 -","2","0.5","","Collings, Jonathan C.; Smith, Philip S.; Yufit, Dmitri S.; Batsanov, Andrei S.; Howard, Judith A. K.; Marder, Todd B.","Arene?perfluoroarene interactions in crystal engineering. Part 10. Crystal structures of 1?1 complexes of octafluoronaphthalene with biphenyl and biphenyleneFor Part 9 see ref. 1.","CrystEngComm","2004","6","6","25","","10.1039/b316169b","","","0.71073","MoKα","","0.0539","0.0399","","","0.1046","0.114","","","","","","1.004","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204821","6.446","0.001","7.142","0.001","9.751","0.002","74.46","0.02","71.53","0.02","85.97","0.02","410.17","0.14","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","octafluoronaphthalene : biphenylene, 1:1 complex","","- C22 H8 F8 -","- C22 H8 F8 -","- C22 H8 F8 -","1","0.5","","Collings, Jonathan C.; Smith, Philip S.; Yufit, Dmitri S.; Batsanov, Andrei S.; Howard, Judith A. K.; Marder, Todd B.","Arene?perfluoroarene interactions in crystal engineering. Part 10. Crystal structures of 1?1 complexes of octafluoronaphthalene with biphenyl and biphenyleneFor Part 9 see ref. 1.","CrystEngComm","2004","6","6","25","","10.1039/b316169b","","","0.71073","MoKα","","0.068","0.0488","","","0.1241","0.1394","","","","","","1.083","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204822","15.37","0.002","8.7969","0.0012","20.914","0.003","90","","99.398","0.002","90","","2789.8","0.7","150","2","150","2","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","","","- C52 H54 Cu F12 N4 O P2 S4 -","- C52 H54 Cu F12 N4 O P2 S4 -","- C104 H108 Cu2 F24 N8 O2 P4 S8 -","2","0.5","","Holmes, Kathryn E.; Kelly, Paul F.; Elsegood, Mark R. J.","Concomitant polymorphism of [Cu(Ph2SNH)4][PF6]2","CrystEngComm","2004","6","13","56","","10.1039/b316215j","","","0.71073","MoKα","","0.0708","0.0519","","","0.1737","0.1846","","","","","","1.054","","","","has coordinates,has disorder","180379","2020-10-21","18:00:00",""
"7204823","8.8849","0.0007","10.8557","0.0009","13.312","0.0011","91.398","0.002","103.569","0.002","92.897","0.002","1245.66","0.18","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H44 Cu F12 N4 P2 S4 -","- C48 H44 Cu F12 N4 P2 S4 -","- C48 H44 Cu F12 N4 P2 S4 -","1","0.5","","Holmes, Kathryn E.; Kelly, Paul F.; Elsegood, Mark R. J.","Concomitant polymorphism of [Cu(Ph2SNH)4][PF6]2","CrystEngComm","2004","6","13","56","","10.1039/b316215j","","","0.71073","MoKα","","0.0425","0.0317","","","0.0764","0.0823","","","","","","1.046","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204824","14.3809","0.0006","19.8714","0.0008","18.1471","0.0008","90","","103.481","0.002","90","","5043","0.4","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H44 Cu F12 N4 P2 S4 -","- C48 H44 Cu F12 N4 P2 S4 -","- C192 H176 Cu4 F48 N16 P8 S16 -","4","1","","Holmes, Kathryn E.; Kelly, Paul F.; Elsegood, Mark R. J.","Concomitant polymorphism of [Cu(Ph2SNH)4][PF6]2","CrystEngComm","2004","6","13","56","","10.1039/b316215j","","","0.71073","MoKα","","0.0678","0.0407","","","0.0917","0.1079","","","","","","1.029","","","","has coordinates,has disorder","180379","2020-10-21","18:00:00",""
"7204825","9.1712","0.0006","18.3898","0.0012","21.6441","0.0014","90","","90","","90","","3650.4","0.4","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H18 Cl2 N2 S2 -","- C18 H18 Cl2 N2 S2 -","- C144 H144 Cl16 N16 S16 -","8","1","","Holmes, Kathryn E.; Gilby, Liam M.; Stonehouse, Julia M.; Kelly, Paul F.; Elsegood, Mark R. J.","The preparation and crystal structures of derivatised sulfimidium salts","CrystEngComm","2004","6","8","34","","10.1039/b316218d","","","0.71073","MoKα","","0.0761","0.0629","","","0.1838","0.2014","","","","","","1.054","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204826","9.0907","0.0004","9.8349","0.0004","27.2937","0.0014","90","","90","","90","","2440.22","0.19","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H12 Cl N O S -","- C12 H12 Cl N O S -","- C96 H96 Cl8 N8 O8 S8 -","8","1","","Holmes, Kathryn E.; Gilby, Liam M.; Stonehouse, Julia M.; Kelly, Paul F.; Elsegood, Mark R. J.","The preparation and crystal structures of derivatised sulfimidium salts","CrystEngComm","2004","6","8","34","","10.1039/b316218d","","","0.71073","MoKα","","0.1142","0.0649","","","0.1031","0.1168","","","","","","1.041","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204827","13.5552","0.0019","5.6845","0.0008","15.508","0.002","90","","91.335","0.002","90","","1194.6","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Cl N O S -","- C12 H12 Cl N O S -","- C48 H48 Cl4 N4 O4 S4 -","4","1","","Holmes, Kathryn E.; Gilby, Liam M.; Stonehouse, Julia M.; Kelly, Paul F.; Elsegood, Mark R. J.","The preparation and crystal structures of derivatised sulfimidium salts","CrystEngComm","2004","6","8","34","","10.1039/b316218d","","","0.71073","MoKα","","0.0416","0.0325","","","0.0873","0.0939","","","","","","1.042","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204831","17.485","0.003","9.5925","0.0014","19.611","0.003","90","","99.219","0.003","90","","3246.8","0.9","10","","10","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Rhodium(ii) benzoate-pyrazine including O2","","","- C32 H24 N2 O8.98 Rh2 -","- C32 H24 N2 O8.996 Rh2 -","- C128 H96 N8 O35.984 Rh8 -","4","0.5","","Takamizawa, Satoshi; Nakata, Ei-ichi; Saito, Teruo","Structural determination of a 1-D metal?organic framework with adsorbed oxygen molecules at 10 K: possibility of surface motion transfer of confined guest","CrystEngComm","2004","6","9","39","","10.1039/b316963d","","","0.71073","MoKα","","0.1041","0.0633","","","0.1394","0.1564","","","","","","0.991","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204832","10.891","0.003","13.357","0.003","14.642","0.003","84.15","0.02","74.79","0.02","77.36","0.02","2003.3","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","bis(phenanthroline)phenylphosphonic acid copper(ii) phenylphosphonate","bis(phenanthroline)phenylphosphonic acid copper(II) phenylphosphonate","","- C36 H42 Cu N4 O13 P2 -","- C36 H35 Cu N4 O13 P2 -","- C72 H70 Cu2 N8 O26 P4 -","2","1","","Clarke, Rachael; Latham, Kay; Rix, Colin; Hobday, Malcolm; White, Jonathan","Supramolecular bidentate amine derivatives of copper(ii) organophosphonates","CrystEngComm","2004","6","10","42","","10.1039/b400064a","","","1.5418","CuKα","","0.0646","0.0581","","","0.1521","0.1594","","","","","","1.054","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204833","33.209","0.006","10.097","0.002","27.247","0.002","90","","119.38","0.01","90","","7961","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","bis(phenanthroline)benzylphosphonic acid copper(ii) benzylphosphonate","bis(phenanthroline)benzylphosphonic acid copper(II) benzylphosphonate","","- C38 H34 Cu N4 O11.5 P2 -","- C38 H37 Cu N4 O10 P2 -","- C304 H296 Cu8 N32 O80 P16 -","8","1","","Clarke, Rachael; Latham, Kay; Rix, Colin; Hobday, Malcolm; White, Jonathan","Supramolecular bidentate amine derivatives of copper(ii) organophosphonates","CrystEngComm","2004","6","10","42","","10.1039/b400064a","","","1.5418","CuKα","","0.0982","0.0616","","","0.1684","0.1948","","","","","","1.048","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204844","7.381","0.0005","14.5798","0.001","8.6905","0.0006","90","","103.661","0.001","90","","908.76","0.11","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","Bis(ethylpyridinium) tetrachlorocobaltate(ii)","Bis(ethylpyridinium) tetrachlorocobaltate(II)","","- C14 H20 Cl4 Co N2 -","- C14 H20 Cl4 Co N2 -","- C28 H40 Cl8 Co2 N4 -","2","1","","Marina Felloni; Peter Hubberstey; Claire Wilson; Martin Schröder","Conserved hydrogen-bonded supramolecular synthons in pyridinium tetrachlorometallates","CrystEngComm","2004","6","19","87","95","10.1039/b401129e","","","0.71073","MoKα","","0.0403","0.0364","","","0.0855","0.087","","","","","","0.982","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7204845","7.5802","0.0006","7.9849","0.0007","12.4508","0.0011","89.026","0.002","83.51","0.002","79.833","0.002","737.02","0.11","150","2","150","2","","","","","","","","5","P -1","-P 1","2","Bis(pyridinium) tetrachlorocobaltate(ii)","Bis(pyridinium) tetrachlorocobaltate(II)","","- C10 H12 Cl4 Co N2 -","- C10 H12 Cl4 Co N2 -","- C20 H24 Cl8 Co2 N4 -","2","1","","Marina Felloni; Peter Hubberstey; Claire Wilson; Martin Schröder","Conserved hydrogen-bonded supramolecular synthons in pyridinium tetrachlorometallates","CrystEngComm","2004","6","19","87","95","10.1039/b401129e","","","0.71073","MoKα","","0.0522","0.0333","","","0.0686","0.0724","","","","","","0.895","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7204846","14.62","0.003","16.079","0.004","16.193","0.004","78.201","0.004","80.798","0.004","76.345","0.004","3595.8","1.5","93","2","93","2","","","","","","","","5","P 1","P 1","1","","","","- C165 H180 N10 Ni2 O18 -","- C165 H180 N10 Ni2 O18 -","- C165 H180 N10 Ni2 O18 -","1","1","","Ohmori, Osamu; Kawano, Masaki; Fujita, Makoto","A 24 � 24 � square ladder","CrystEngComm","2004","6","11","51","","10.1039/b401562b","","","0.71073","MoKα","","0.0581","0.0506","","","0.1384","0.146","","","","","","1.038","","","","has coordinates,has disorder","180379","2020-10-21","18:00:00",""
"7204847","14.332","0.005","15.179","0.005","16.165","0.005","79.406","0.005","69.285","0.006","74.921","0.006","3159.6","1.8","78","2","78","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H80 N5 Ni O10 -","- C70 H78 N5 Ni O10 -","- C140 H156 N10 Ni2 O20 -","2","1","","Ohmori, Osamu; Kawano, Masaki; Fujita, Makoto","A 24 � 24 � square ladder","CrystEngComm","2004","6","11","51","","10.1039/b401562b","","","0.71073","MoKα","","0.1111","0.0694","","","0.188","0.2173","","","","","","1.05","","","","has coordinates,has disorder","180379","2020-10-21","18:00:00",""
"7204848","10.7999","0.0006","11.3654","0.0006","11.8496","0.0006","116.093","0.001","92.31","0.001","106.55","0.001","1228.74","0.11","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C13 H26 B2 Cu F8 N10 O5 -","- C13 H26 B2 Cu F8 N10 O5 -","- C26 H52 B4 Cu2 F16 N20 O10 -","2","1","","Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Wilson, Claire","Hydrogen-bonded binding of DNA pyrimidine bases to copper(ii) cations co-ordinated by polymethylene linked bis(amidino-O-alkylurea) ligands to form supramolecular architectures","CrystEngComm","2004","6","15","70","","10.1039/b401599a","","","0.71073","MoKα","","0.0626","0.0563","","","0.1562","0.1622","","","","","","1.07","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204849","7.182","0.002","12.055","0.003","16.888","0.004","95.19","0.005","99.573","0.004","101.294","0.005","1402.4","0.6","150","2","150","2","","","","","","","","7","P -1","-P 1","2","(CuLm).2(BF4).2(Cytosine)","","","- C16 H28 B2 Cu F8 N14 O4 -","- C16 H28 B2 Cu F8 N14 O4 -","- C32 H56 B4 Cu2 F16 N28 O8 -","2","1","","Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Wilson, Claire","Hydrogen-bonded binding of DNA pyrimidine bases to copper(ii) cations co-ordinated by polymethylene linked bis(amidino-O-alkylurea) ligands to form supramolecular architectures","CrystEngComm","2004","6","15","70","","10.1039/b401599a","","","0.71073","MoKα","","0.1275","0.0564","","","0.1008","0.12","","","","","","0.861","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204850","3.9004","0.0008","8.7632","0.0018","16.508","0.003","105.33","0.03","90.09","0.03","100.97","0.03","533.4","0.2","293","","293","","","","","","","","","3","P -1","-P 1","2","dichloroanthracene","dichloroanthracene","","- C14 H8 Cl2 -","- C14 H8 Cl2 -","- C28 H16 Cl4 -","2","1","","Li, Qi; Hu, Chunhua; Haerter, Roland; Englert, Ulli","Isosteric molecules in non-isomorphous structures: A new route to new structures. The example of 9,10-dihaloanthracene","CrystEngComm","2004","6","18","83","","10.1039/b401615g","","","1.5418","CuKα","","0.0786","0.0636","","","0.1557","0.1713","","","","","","1.001","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204851","3.8629","0.0009","8.743","0.002","16.515","0.004","105.203","0.004","90.179","0.005","100.495","0.005","528.5","0.2","120","","120","","","","","","","","","4","P -1","-P 1","2","dichloroanthracene:dibromoanthracene","dichloroanthracene:dibromoanthracene","","- C14 H8 Br0.5 Cl1.5 -","- C14 H8 Br0.4972 Cl1.5028 -","- C28 H16 Br0.9944 Cl3.0056 -","2","1","","Li, Qi; Hu, Chunhua; Haerter, Roland; Englert, Ulli","Isosteric molecules in non-isomorphous structures: A new route to new structures. The example of 9,10-dihaloanthracene","CrystEngComm","2004","6","18","83","","10.1039/b401615g","","","0.71073","MoKα","","0.0418","0.0318","","","0.0796","0.0834","","","","","","1.01","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204852","10.4381","0.0004","9.0183","0.0003","48.0553","0.0016","90","","90","","90","","4523.6","0.3","140","2","140","2","","","","","","","","4","P c a 21","P 2c -2ac","29","1,3,5-tris(4-cholorobenzoyl)benzene","1,3,5-tris(4-cholorobenzoyl)benzene","","- C27 H15 Cl3 O3 -","- C27 H15 Cl3 O3 -","- C216 H120 Cl24 O24 -","8","2","","Kumar, V. S. Senthil; Pigge, F. Christopher; Rath, Nigam P.","Polymorphism in 1,3,5-triaroylbenzenes: structural characterization of concomitant polymorphs obtained from 1,3,5-tris(4-chlorobenzoyl)benzene","CrystEngComm","2004","6","21","102","","10.1039/b401894j","","","0.71073","MoKα","","0.1046","0.0816","","","0.1647","0.174","","","","","","1.089","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204853","8.6385","0.0002","11.1276","0.0003","12.4701","0.0003","95.955","0.002","97.735","0.002","106.98","0.002","1122.99","0.05","295","2","295","2","","","","","","","","4","P -1","-P 1","2","1,3,5-tris(4-cholorobenzoyl)benzene","1,3,5-tris(4-cholorobenzoyl)benzene","","- C27 H15 Cl3 O3 -","- C27 H15 Cl3 O3 -","- C54 H30 Cl6 O6 -","2","1","","Kumar, V. S. Senthil; Pigge, F. Christopher; Rath, Nigam P.","Polymorphism in 1,3,5-triaroylbenzenes: structural characterization of concomitant polymorphs obtained from 1,3,5-tris(4-chlorobenzoyl)benzene","CrystEngComm","2004","6","21","102","","10.1039/b401894j","","","0.71073","MoKα","","0.0778","0.0466","","","0.1307","0.147","","","","","","1.076","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204855","7.5132","0.0003","8.3575","0.0004","13.9439","0.0006","106.836","0.002","95.865","0.002","94.138","0.002","828.87","0.06","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H16 Ag N3 O4 -","- C18 H16 Ag N3 O4 -","- C36 H32 Ag2 N6 O8 -","2","1","","Sergey Z. Vatsadze; Marina A. Kovalkina; Natal'ya V. Sviridenkova; Nikolai V. Zyk; Andrei V. Churakov; Lyudmila G. Kuz'mina; Judith A. K. Howard","Novel dienone-based ligands for the synthesis of coordination polymers","CrystEngComm","2004","6","23","112","115","10.1039/b402418d","","","0.71073","MoKα","","0.034","0.0307","","","0.0821","0.0838","","","","","","1.104","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204856","9.0541","0.0002","9.3447","0.0003","9.7248","0.0003","81.711","0.001","70.102","0.001","64.45","0.001","698.01","0.04","120","2","120","2","","","","","","","","4","P -1","-P 1","2","2,6-bis(3-pyridilmethylidene)cyclohexan","2,6-bis(3-pyridilmethylidene)cyclohexan","","- C18 H16 N2 O -","- C18 H16 N2 O -","- C36 H32 N4 O2 -","2","1","","Sergey Z. Vatsadze; Marina A. Kovalkina; Natal'ya V. Sviridenkova; Nikolai V. Zyk; Andrei V. Churakov; Lyudmila G. Kuz'mina; Judith A. K. Howard","Novel dienone-based ligands for the synthesis of coordination polymers","CrystEngComm","2004","6","23","112","115","10.1039/b402418d","","","0.71073","MoKα","","0.0582","0.0485","","","0.1322","0.1378","","","","","","1.081","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204860","7.96","0.005","10.122","0.005","12.782","0.005","67.234","0.005","84.407","0.005","80.782","0.005","936.7","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H22 Cu N4 O8 S -","- C14 H22 Cu N4 O8 S -","- C28 H44 Cu2 N8 O16 S2 -","2","1","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Spadacini, Laura","Supramolecular isomers in the same crystal: a new case involving two different types of layers polycatenated in the 3D architecture of [Cu(bix)2(SO4)]�7.5H2O [bix = 1,4-bis(imidazol-1-ylmethyl)benzene]","CrystEngComm","2004","6","20","96","","10.1039/b402935f","","","0.71069","MoKα","","0.0371","0.0314","","0.0915","0.0884","","","","1.042","","","","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204861","23.548","0.011","18.524","0.008","16.469","0.008","90","","102.008","0.017","90","","7027","6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H43 Cu N8 O11.5 S -","- C28 H28 Cu N8 O11.5 S -","- C224 H224 Cu8 N64 O92 S8 -","8","1","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Spadacini, Laura","Supramolecular isomers in the same crystal: a new case involving two different types of layers polycatenated in the 3D architecture of [Cu(bix)2(SO4)]�7.5H2O [bix = 1,4-bis(imidazol-1-ylmethyl)benzene]","CrystEngComm","2004","6","20","96","","10.1039/b402935f","","","0.71073","MoKα","","0.187","0.0884","","0.2967","0.23","","","","1.034","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204864","8.3393","0.0002","9.4759","0.0002","11.9105","0.0003","102.8","0.0009","90.1883","0.001","104.761","0.0011","885.74","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","4-chloro-1,2,3,5-dithiadiazolyl","","- C Cl N2 S2 -","- C Cl N2 S2 -","- C8 Cl8 N16 S16 -","8","4","","Clarke, Caroline S.; Pascu, Sofia I.; Rawson, Jeremy M.","Further studies on the polymorphic dithiadiazolyl radical, ClCNSSN","CrystEngComm","2004","6","17","79","","10.1039/b403430a","","","0.71073","MoKα","","0.0278","0.0258","","","0.0669","0.0681","","","","","","1.07","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204865","8.3198","0.0017","15.4","0.003","15.635","0.003","90","","99.4","0.03","90","","1976.3","0.7","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(IMesH)(Cl).H2O","","","- C21 H27 Cl N2 O -","- C21 H27 Cl N2 O -","- C84 H108 Cl4 N8 O4 -","4","1","","Cole, Marcus L.; Junk, Peter C.","Facile purification of the N-heterocyclic carbene precursor [IMesH][Cl] and chloride binding in the solvates [IMesH][Cl]�acetone and [IMesH][Cl]�H2O (IMes = 1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene)","CrystEngComm","2004","6","30","173","","10.1039/b403451a","","","0.71073","MoKα","","0.0572","0.0415","","","0.1095","0.1165","","","","","","1.057","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204866","8.3676","0.0017","11.315","0.002","13.246","0.003","70.27","0.03","80.1","0.03","76.55","0.03","1142.1","0.5","123","2","123","2","","","","","","","","5","P -1","-P 1","2","(IMesH)(Cl).Acetone","","","- C24 H31 Cl N2 O -","- C24 H31 Cl N2 O -","- C48 H62 Cl2 N4 O2 -","2","1","","Cole, Marcus L.; Junk, Peter C.","Facile purification of the N-heterocyclic carbene precursor [IMesH][Cl] and chloride binding in the solvates [IMesH][Cl]�acetone and [IMesH][Cl]�H2O (IMes = 1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene)","CrystEngComm","2004","6","30","173","","10.1039/b403451a","","","0.71073","MoKα","","0.1181","0.0842","","","0.2048","0.231","","","","","","1.017","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204867","22.5962","0.0005","8.1506","0.0002","7.6964","0.0001","90","","90","","90","","1417.47","0.05","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","syn-7-trimethyl-silyl-5 Norbornene-2,3-endo -dicarboxylic acid","","","- C12 H18 O4 Si -","- C12 H18 O4 Si -","- C48 H72 O16 Si4 -","4","1","","Shahina Begum, Noor; Girija, C. R.; Nagendrappa, Gopalpur","The influence of the trimethylsilyl group: helical self-assembly of syn-7-trimethylsilyl-5-norbornene-endo-2,3-dicarboxylic acid","CrystEngComm","2004","6","24","116","","10.1039/b403631j","","","0.71073","MoKα","","0.041","0.0383","","","0.1103","0.1133","","","","","","0.89","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204868","12.646","0.003","7.404","0.001","7.297","0.001","90","","120.18","0.03","90","","590.6","0.3","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C3 H6 Co O6 -","- C3 H2 Co O6 -","- C12 H8 Co4 O24 -","4","0.5","","Fernando S. Delgado; María Hernández-Molina; Joaquín Sanchiz; Catalina Ruiz-Pérez; Yolanda Rodríguez-Martín; Trinidad López; Francesc Lloret; Miguel Julve","Synthesis, crystal structure and magnetic properties of two-dimensional malonato-bridged cobalt(II) and nickel(II) compounds","CrystEngComm","2004","6","22","106","111","10.1039/b403640a","","x-ray","0.71069","MoKα","","0.0336","0.0257","","","0.0759","0.0789","","","","","","1.165","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204869","12.5748","0.0005","7.3781","0.0006","7.2274","0.0004","90","","120.391","0.006","90","","578.41","0.07","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C3 H6 Ni O6 -","- C3 H2 Ni O6 -","- C12 H8 Ni4 O24 -","4","0.5","","Fernando S. Delgado; María Hernández-Molina; Joaquín Sanchiz; Catalina Ruiz-Pérez; Yolanda Rodríguez-Martín; Trinidad López; Francesc Lloret; Miguel Julve","Synthesis, crystal structure and magnetic properties of two-dimensional malonato-bridged cobalt(II) and nickel(II) compounds","CrystEngComm","2004","6","22","106","111","10.1039/b403640a","","x-ray","0.71073","MoKα","","0.071","0.0421","","","0.086","0.0921","","","","","","1.095","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204871","7.552","0.0015","16.296","0.003","16.174","0.003","90","","98.71","0.03","90","","1967.5","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bis(4-nitrophenyl)diphenylmethane","bis(4-nitrophenyl)diphenylmethane","","- C25 H18 N2 O4 -","- C25 H18 N2 O4 -","- C100 H72 N8 O16 -","4","1","","Basavoju, Srinivas; Aitipamula, Srinivasulu; Desiraju, Gautam R.","Host?guest and network structures of some tetraphenylmethane derivativesElectronic supplementary information (ESI) available: ORTEP diagrams of the compounds in this study; structure solution and refinement details for (TCTPM)�(MeCN)0.5. See http://www.rsc.org/suppdata/ce/b4/b403858b/","CrystEngComm","2004","6","25","120","","10.1039/b403858b","","","0.71073","MoKα","","0.1102","0.0642","","","0.153","0.1817","","","","","","1.024","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204872","20.909","0.002","20.909","0.002","25.247","0.004","90","","90","","120","","9559","2","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","bis(4-nitrophenyl)diphenylmethane-water","bis(4-nitrophenyl)diphenylmethane-water","","- C75 H58 N6 O14 -","- C75 H57.99 N6 O13.99 -","- C450 H347.94 N36 O83.94 -","6","0.333333","","Basavoju, Srinivas; Aitipamula, Srinivasulu; Desiraju, Gautam R.","Host?guest and network structures of some tetraphenylmethane derivativesElectronic supplementary information (ESI) available: ORTEP diagrams of the compounds in this study; structure solution and refinement details for (TCTPM)�(MeCN)0.5. See http://www.rsc.org/suppdata/ce/b4/b403858b/","CrystEngComm","2004","6","25","120","","10.1039/b403858b","","","0.71073","MoKα","","0.0989","0.0673","","","0.2173","0.2487","","","","","","1.029","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204873","20.916","0.003","20.916","0.003","25.122","0.005","90","","90","","120","","9518","3","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","bis(4-nitrophenyl)diphenylmethane-THF","bis(4-nitrophenyl)diphenylmethane-THF","","- C78 H54 N6 O16 -","- C78 H54 N6 O16 -","- C468 H324 N36 O96 -","6","0.333333","","Basavoju, Srinivas; Aitipamula, Srinivasulu; Desiraju, Gautam R.","Host?guest and network structures of some tetraphenylmethane derivativesElectronic supplementary information (ESI) available: ORTEP diagrams of the compounds in this study; structure solution and refinement details for (TCTPM)�(MeCN)0.5. See http://www.rsc.org/suppdata/ce/b4/b403858b/","CrystEngComm","2004","6","25","120","","10.1039/b403858b","","","0.71073","MoKα","","0.0984","0.0574","","","0.1294","0.1555","","","","","","1.018","","","","has coordinates,has disorder","180379","2020-10-21","18:00:00",""
"7204874","9.782","0.001","11.907","0.002","20.242","0.003","90","","98.13","0.01","90","","2334","0.6","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","tetrakis-(4-cyanophenyl)methane","tetrakis-(4-cyanophenyl)methane","","- C29 H16 N4 -","- C29 H16 N4 -","- C116 H64 N16 -","4","1","","Basavoju, Srinivas; Aitipamula, Srinivasulu; Desiraju, Gautam R.","Host?guest and network structures of some tetraphenylmethane derivativesElectronic supplementary information (ESI) available: ORTEP diagrams of the compounds in this study; structure solution and refinement details for (TCTPM)�(MeCN)0.5. See http://www.rsc.org/suppdata/ce/b4/b403858b/","CrystEngComm","2004","6","25","120","","10.1039/b403858b","","","0.71073","MoKα","","0.1517","0.0664","","","0.0857","0.1332","","","","","","1.35","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204875","15.413","0.003","17.607","0.003","18.504","0.003","90","","90","","90","","5021.6","1.5","123","2","123","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","tetrakis-(4-cyanophenyl)methane-MeCN","tetrakis-(4-cyanophenyl)methane-MeCN","","- C29 H16 N4 -","- C29 H16 N4 -","- C232 H128 N32 -","8","1","","Basavoju, Srinivas; Aitipamula, Srinivasulu; Desiraju, Gautam R.","Host?guest and network structures of some tetraphenylmethane derivativesElectronic supplementary information (ESI) available: ORTEP diagrams of the compounds in this study; structure solution and refinement details for (TCTPM)�(MeCN)0.5. See http://www.rsc.org/suppdata/ce/b4/b403858b/","CrystEngComm","2004","6","25","120","","10.1039/b403858b","","","0.71073","MoKα","","0.1201","0.0687","","","0.155","0.1766","","","","","","0.97","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204876","19.3682","0.0007","19.3682","0.0007","18.9884","0.001","90","","90","","120","","6168.8","0.5","153","2","153","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","","[Tris(5,5'-diamino-2,2'-bipyridine)iron(II)] bis(4-nitrophenolate) dihydrate","","- C42 H42 Fe N14 O8 -","- C42 H42 Fe N14 O8 -","- C252 H252 Fe6 N84 O48 -","6","1","","Yang, Xiao-Juan; Wu, Biao; Janiak, Christoph","Self host?guest network through molecular paneling of para-nitrophenolate: hydrogen-bonded assembly of three tris(5,5?-diamino-2,2-bipyridine)iron complexes in the crystallographic asymmetric unit","CrystEngComm","2004","6","26","126","","10.1039/b404151h","","","0.71073","MoKα","","0.0427","0.0383","","","0.0806","0.0826","","","","","","1.047","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204877","14.027","0.005","6.124","0.002","17.047","0.006","90","","90","","90","","1464.4","0.9","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","1-methoxy-4-ethynylbenzene","1-methoxy-4-ethynylbenzene","","- C9 H8 O -","- C9 H8 O -","- C72 H64 O8 -","8","1","","Dai, Chaoyang; Yuan, Zheng; Collings, Jonathan C.; Fasina, Tolulope M.; Thomas, Rhodri Ll.; Roscoe, Karl P.; Stimson, Lorna M.; Yufit, Dmitry S.; Batsanov, Andrei S.; Howard, Judith A. K.; Marder, Todd B.","Crystal engineering with p-substituted 4-ethynylbenzenes using the C?H?O supramolecular synthon","CrystEngComm","2004","6","32","184","","10.1039/b404502e","","","0.71073","MoKα","","0.0428","0.0372","","","0.099","0.1046","","","","","","1.047","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204878","13.962","0.003","6.052","0.001","19.542","0.003","90","","90","","90","","1651.3","0.5","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","1-(methoxycarbonyl)-4-ethynylbenzene","1-(methoxycarbonyl)-4-ethynylbenzene","","- C10 H8 O2 -","- C10 H8 O2 -","- C80 H64 O16 -","8","1","","Dai, Chaoyang; Yuan, Zheng; Collings, Jonathan C.; Fasina, Tolulope M.; Thomas, Rhodri Ll.; Roscoe, Karl P.; Stimson, Lorna M.; Yufit, Dmitry S.; Batsanov, Andrei S.; Howard, Judith A. K.; Marder, Todd B.","Crystal engineering with p-substituted 4-ethynylbenzenes using the C?H?O supramolecular synthon","CrystEngComm","2004","6","32","184","","10.1039/b404502e","","","0.71073","MoKα","","0.0535","0.0432","","","0.1155","0.1228","","","","","","1.047","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204879","7.0501","0.0006","8.9204","0.0008","10.799","0.0009","90","","90","","90","","679.15","0.1","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","4-ethynylbenzaldehyde","4-ethynylbenzaldehyde","","- C9 H6 O -","- C9 H6 O -","- C36 H24 O4 -","4","1","","Dai, Chaoyang; Yuan, Zheng; Collings, Jonathan C.; Fasina, Tolulope M.; Thomas, Rhodri Ll.; Roscoe, Karl P.; Stimson, Lorna M.; Yufit, Dmitry S.; Batsanov, Andrei S.; Howard, Judith A. K.; Marder, Todd B.","Crystal engineering with p-substituted 4-ethynylbenzenes using the C?H?O supramolecular synthon","CrystEngComm","2004","6","32","184","","10.1039/b404502e","","","0.71073","MoKα","","0.0429","0.0409","","","0.1128","0.1161","","","","","","1.052","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204880","4.0302","0.0006","6.24","0.001","8.22","0.001","104.97","0.01","92.28","0.03","91.73","0.01","199.37","0.05","120","2","120","2","","","","","","","","4","P 1","P 1","1","4-ethynyl-2,3,5,6-tetrafluoroanisole","4-ethynyl-2,3,5,6-tetrafluoroanisole","","- C9 H4 F4 O -","- C9 H4 F4 O -","- C9 H4 F4 O -","1","1","","Dai, Chaoyang; Yuan, Zheng; Collings, Jonathan C.; Fasina, Tolulope M.; Thomas, Rhodri Ll.; Roscoe, Karl P.; Stimson, Lorna M.; Yufit, Dmitry S.; Batsanov, Andrei S.; Howard, Judith A. K.; Marder, Todd B.","Crystal engineering with p-substituted 4-ethynylbenzenes using the C?H?O supramolecular synthon","CrystEngComm","2004","6","32","184","","10.1039/b404502e","","","0.71073","MoKα","","0.0367","0.034","","","0.108","0.1101","","","","","","1.255","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204881","5.646","0.001","7.268","0.001","19.528","0.004","90","","90","","90","","801.3","0.2","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","4-ethynylthioanisole","4-ethynylthioanisole","","- C9 H8 S -","- C9 H8 S -","- C36 H32 S4 -","4","1","","Dai, Chaoyang; Yuan, Zheng; Collings, Jonathan C.; Fasina, Tolulope M.; Thomas, Rhodri Ll.; Roscoe, Karl P.; Stimson, Lorna M.; Yufit, Dmitry S.; Batsanov, Andrei S.; Howard, Judith A. K.; Marder, Todd B.","Crystal engineering with p-substituted 4-ethynylbenzenes using the C?H?O supramolecular synthon","CrystEngComm","2004","6","32","184","","10.1039/b404502e","","","0.71073","MoKα","","0.1208","0.0499","","","0.0848","0.0999","","","","","","0.963","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204882","5.9008","0.0005","10.0652","0.0008","11.6577","0.0009","90","","102.919","0.003","90","","674.86","0.09","120","2","120","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","4-ethynyltoluene","4-ethynyltoluene","","- C9 H8 -","- C9 H8 -","- C36 H32 -","4","1","","Dai, Chaoyang; Yuan, Zheng; Collings, Jonathan C.; Fasina, Tolulope M.; Thomas, Rhodri Ll.; Roscoe, Karl P.; Stimson, Lorna M.; Yufit, Dmitry S.; Batsanov, Andrei S.; Howard, Judith A. K.; Marder, Todd B.","Crystal engineering with p-substituted 4-ethynylbenzenes using the C?H?O supramolecular synthon","CrystEngComm","2004","6","32","184","","10.1039/b404502e","","","0.71073","MoKα","","0.073","0.0465","","","0.0827","0.0875","","","","","","1.066","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204883","8.6911","0.0005","13.1827","0.0007","13.275","0.0007","90","","93.128","0.001","90","","1518.68","0.14","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H17 Br2 Cu N5 O2 -","- C10 H17 Br2 Cu N5 O2 -","- C40 H68 Br8 Cu4 N20 O8 -","4","1","","Suksangpanya, Unchulee; Blake, Alexander J.; Cade, Emma L.; Hubberstey, Peter; Parker, David J.; Wilson, Claire","Hydrogen-bonded supramolecular architectures in (N-(methylpyridin-2-yl)-amidino-O-alkylurea)copper(ii) halides","CrystEngComm","2004","6","28","159","","10.1039/b405875e","","","0.71073","MoKα","","0.032","0.0251","","","0.0646","0.0669","","","","","","0.995","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204884","12.009","0.0006","8.5819","0.0004","13.9542","0.0009","90","","103.305","0.002","90","","1399.52","0.13","120","2","120","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C10 H15 Cl2 Cu N5 O -","- C10 H15 Cl2 Cu N5 O -","- C40 H60 Cl8 Cu4 N20 O4 -","4","1","","Suksangpanya, Unchulee; Blake, Alexander J.; Cade, Emma L.; Hubberstey, Peter; Parker, David J.; Wilson, Claire","Hydrogen-bonded supramolecular architectures in (N-(methylpyridin-2-yl)-amidino-O-alkylurea)copper(ii) halides","CrystEngComm","2004","6","28","159","","10.1039/b405875e","","","0.71073","MoKα","","0.0985","0.0494","","","0.0939","0.1094","","","","","","0.999","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204885","11.81","0.002","8.2394","0.0012","16.073","0.002","90","","104.282","0.003","90","","1515.7","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H17 Cl2 Cu N5 O2 -","- C10 H17 Cl2 Cu N5 O2 -","- C40 H68 Cl8 Cu4 N20 O8 -","4","1","","Suksangpanya, Unchulee; Blake, Alexander J.; Cade, Emma L.; Hubberstey, Peter; Parker, David J.; Wilson, Claire","Hydrogen-bonded supramolecular architectures in (N-(methylpyridin-2-yl)-amidino-O-alkylurea)copper(ii) halides","CrystEngComm","2004","6","28","159","","10.1039/b405875e","","","0.71073","MoKα","","0.0575","0.0371","","","0.0837","0.0896","","","","","","0.936","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204886","11.4766","0.0011","8.7847","0.0008","13.5378","0.0012","90","","109.089","0.001","90","","1289.8","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H13 Cl2 Cu N5 O -","- C9 H13 Cl2 Cu N5 O -","- C36 H52 Cl8 Cu4 N20 O4 -","4","1","","Suksangpanya, Unchulee; Blake, Alexander J.; Cade, Emma L.; Hubberstey, Peter; Parker, David J.; Wilson, Claire","Hydrogen-bonded supramolecular architectures in (N-(methylpyridin-2-yl)-amidino-O-alkylurea)copper(ii) halides","CrystEngComm","2004","6","28","159","","10.1039/b405875e","","","0.71073","MoKα","","0.0512","0.0389","","","0.0969","0.1021","","","","","","1","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7204887","11.9013","0.0007","11.9578","0.0007","13.8143","0.0008","112.245","0.001","112.224","0.001","91.301","0.001","1652.59","0.17","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H30 Ag B F4 N2 O2 -","- C36 H30 Ag B F4 N2 O2 -","- C72 H60 Ag2 B2 F8 N4 O4 -","2","1","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro; Pelagatti, Paolo; Rogolino, Dominga","Deconvolution of supramolecular tectons and analysis of the structural role of the anions for two ?wheel-and-axle? silver complexes","CrystEngComm","2004","6","31","177","","10.1039/b405940a","","","0.71069","MoKα","","0.0465","0.0294","","","0.0749","0.0824","","","","","","0.942","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204888","12.4855","0.0007","8.6349","0.0005","15.6533","0.0009","90","","98.286","0.001","90","","1669.98","0.17","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 Ag F6 N2 O2 P -","- C36 H30 Ag F6 N2 O2 P -","- C72 H60 Ag2 F12 N4 O4 P2 -","2","0.5","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro; Pelagatti, Paolo; Rogolino, Dominga","Deconvolution of supramolecular tectons and analysis of the structural role of the anions for two ?wheel-and-axle? silver complexes","CrystEngComm","2004","6","31","177","","10.1039/b405940a","","","0.71069","MoKα","","0.0391","0.0305","","","0.0822","0.0904","","","","","","1.042","","","","has coordinates","180379","2020-10-21","18:00:00",""
"7204894","10.605","0.001","8.003","0.002","23.478","0.002","90","","90","","90","","1992.6","0.6","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H12 Hg2 O4 S8 -","- C8 H14 Hg2 O4 S8 -","- C32 H56 Hg8 O16 S32 -","4","0.5","","Tiekink, Edward R. T.","Molecular architecture and supramolecular association in the zinc-triad 1,1-dithiolates. Steric control as a design element in crystal engineering?","CrystEngComm","2003","5","21","101","","10.1039/b301318a","","","","","","","","","","","","","","","","","","","","","has coordinates","209427","2020-10-21","18:00:00",""
"7204895","26.27","0.02","13.654","0.008","13.863","0.005","90","","96.64","0.04","90","","4939","5","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H36 Hg N2 S4 -","- C18 H37 Hg N2 S4 -","- C144 H296 Hg8 N16 S32 -","8","1","","Tiekink, Edward R. T.","Molecular architecture and supramolecular association in the zinc-triad 1,1-dithiolates. Steric control as a design element in crystal engineering?","CrystEngComm","2003","5","21","101","","10.1039/b301318a","","","","","","","","","","","","","","","","","","","","","has coordinates","287982","2023-12-04","12:39:26",""
"7204896","6.238","0.001","20.162","0.002","11.281","0.001","90","","104.63","0.01","90","","1372.8","0.3","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H15 Hg P S2 -","- C10 H16 Hg P S2 -","- C40 H64 Hg4 P4 S8 -","4","1","","Sing Lai, Chian; Tiekink, Edward R. T.","Supramolecular association in organomercury(ii) 1,1-dithiolates. Complementarity between Hg?S and hydrogen bonding interactions in organomercury(ii) 2-amino-cyclopent-1-ene-1-carbodithioates","CrystEngComm","2003","5","44","253","","10.1039/b305363f","","","","","","","","","","","","","","","","","","","","","has coordinates","209427","2020-10-21","18:00:00",""
"7204897","17.308","0.001","7.558","0.003","9.978","0.002","90","","113.24","0.01","90","","1199.4","0.5","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H12 Hg N2 S4 -","- C6 H13 Hg N2 S4 -","- C24 H52 Hg4 N8 S16 -","4","0.5","","Tiekink, Edward R. T.","Molecular architecture and supramolecular association in the zinc-triad 1,1-dithiolates. Steric control as a design element in crystal engineering?","CrystEngComm","2003","5","21","101","","10.1039/b301318a","","","","","","","","","","","","","","","","","","","","","has coordinates","209427","2020-10-21","18:00:00",""
"7204899","9.814","0.003","10.667","0.003","15.655","0.004","90","","104.06","0.02","90","","1589.8","0.8","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H40 N4 S8 Zn2 -","- C20 H40 N4 S8 Zn2 -","- C40 H80 N8 S16 Zn4 -","2","0.5","","Tiekink, Edward R. T.","Molecular architecture and supramolecular association in the zinc-triad 1,1-dithiolates. Steric control as a design element in crystal engineering?","CrystEngComm","2003","5","21","101","","10.1039/b301318a","","","","","","","","","","","","","","","","","","","","","has coordinates","208196","2020-10-21","18:00:00",""
"7204900","9.8208","0.0003","10.7609","0.0003","15.9952","0.0004","90","","103.581","0.001","90","","1643.12","0.08","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H20 Cd N2 S4 -","- C10 H20 Cd N2 S4 -","- C40 H80 Cd4 N8 S16 -","4","1","","Tiekink, Edward R. T.","Molecular architecture and supramolecular association in the zinc-triad 1,1-dithiolates. Steric control as a design element in crystal engineering?","CrystEngComm","2003","5","21","101","","10.1039/b301318a","","","","","","0.077","","","","","","","","","","","","","","","has coordinates","208197","2020-10-21","18:00:00",""
"7205040","11.741","0.002","12.828","0.003","12.047","0.002","90","","108.46","0.03","90","","1721.1","0.6","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Complex of TNB and Acridene","1:1 Molecular complex of TNB and Acridene","","- C19 H12 N4 O6 -","- C19 H12 N4 O6 -","- C76 H48 N16 O24 -","4","1","","Thallapally, Praveen K.; Katz, A. K.; Carrell, H. L.; Desiraju, Gautam R.","C‒H⋯O hydrogen bonds in molecular complexes of 1,3,5-trinitrobenzene with some N-heterocycles","CrystEngComm","2003","5","18","87","","10.1039/b301677c","","","0.71073","MoKα","","0.0949","0.0598","","","0.13","0.1554","","","","","","1.094","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7205041","10.962","0.002","13.48","0.003","12.092","0.002","90","","108.89","0.03","90","","1690.6","0.6","120","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Complex of TNB and phenonthroline","1:1 Molecular Complex of TNB and 1,10-Phenonthroline","","- C18 H11 N5 O6 -","- C18 H11 N5 O6 -","- C72 H44 N20 O24 -","4","1","","Thallapally, Praveen K.; Katz, A. K.; Carrell, H. L.; Desiraju, Gautam R.","C‒H⋯O hydrogen bonds in molecular complexes of 1,3,5-trinitrobenzene with some N-heterocycles","CrystEngComm","2003","5","18","87","","10.1039/b301677c","","","0.71073","MoKα","","0.0587","0.049","","","0.1271","0.1408","","","","","","1.051","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205042","7.0781","0.0014","9.7139","0.0019","15.787","0.003","86.83","0.03","88.33","0.03","83.08","0.03","1075.6","0.4","120","2","293","2","","","","","","","","4","P -1","-P 1","2","2:3 Complex of TNB and Phenazene","2:3 Complex of TNB and Phenazene","","- C24 H15 N6 O6 -","- C24 H15 N6 O6 -","- C48 H30 N12 O12 -","2","1","","Thallapally, Praveen K.; Katz, A. K.; Carrell, H. L.; Desiraju, Gautam R.","C–H⋯O hydrogen bonds in molecular complexes of 1,3,5-trinitrobenzene with some N-heterocycles","CrystEngComm","2003","5","18","87","","10.1039/b301677c","","","0.71073","MoKα","","0.0759","0.049","","","0.1251","0.1383","","","","","","0.966","","","","has coordinates","288183","2023-12-08","14:43:01",""
"7205043","13.977","0.009","18.93","0.01","10.148","0.008","105.71","0.06","106.23","0.07","82.19","0.05","2476","3","288.2","","288.2","","","","","","","","","7","P -1","-P 1","2","","","","- C39 H30 Cl2 Cr N6 O2 S14 -","- C39 H30 Cl2 Cr N6 O2 S14 -","- C78 H60 Cl4 Cr2 N12 O4 S28 -","2","1","","Sayaduzzaman, Mohammad; Katsuhara, Mao; Nii, Hirofumi; Kawamoto, Tadashi; Mori, Takehiko","Structural and magnetic properties of (C2TEO-TTP)[Cr(isoq)2(NCS)4]�CH2Cl2","CrystEngComm","2003","5","51","300","","10.1039/b307621k","","","0.7107","MoKα","","0.054","0.055","","0.068","","0.068","","","0.931","","","0.93","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205047","8.2152","0.0004","8.9387","0.0004","12.3961","0.0005","109.846","0.001","92.651","0.001","106.725","0.001","809.46","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H26 Co3 N12 O17 -","- C20 H24 Co3 N12 O17 -","- C20 H24 Co3 N12 O17 -","1","0.5","","Yang, En-Cui; Feng, Yan; Liu, Zhong-Yi; Liu, Tian-Yu; Zhao, Xiao-Jun","Diverse mixed-ligand metal complexes with in situ generated 5-(pyrazinyl)tetrazolate chelating-bridging ligand: in situ synthesis, crystal structures, magnetic and luminescent properties","CrystEngComm","2011","13","1","230","","10.1039/c000586j","","","0.71073","MoKα","","0.031","0.028","","","0.0725","0.0743","","","","","","1.023","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205048","7.8365","0.001","8.2326","0.0011","10.7944","0.0015","111.154","0.002","95.728","0.002","94.674","0.002","641.03","0.15","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H9 Cu N6 O6 -","- C10 H7 Cu N6 O6 -","- C20 H14 Cu2 N12 O12 -","2","1","","Yang, En-Cui; Feng, Yan; Liu, Zhong-Yi; Liu, Tian-Yu; Zhao, Xiao-Jun","Diverse mixed-ligand metal complexes with in situ generated 5-(pyrazinyl)tetrazolate chelating-bridging ligand: in situ synthesis, crystal structures, magnetic and luminescent properties","CrystEngComm","2011","13","1","230","","10.1039/c000586j","","","0.71073","MoKα","","0.039","0.0305","","","0.0722","0.0774","","","","","","1.036","","","","has coordinates,has disorder","180381","2020-10-21","18:00:00",""
"7205049","5.8768","0.0005","13.1226","0.0012","11.5664","0.0011","90","","94.788","0.001","90","","888.88","0.14","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H5 Cd N6 O3 -","- C6 H5 Cd N6 O3 -","- C24 H20 Cd4 N24 O12 -","4","1","","Yang, En-Cui; Feng, Yan; Liu, Zhong-Yi; Liu, Tian-Yu; Zhao, Xiao-Jun","Diverse mixed-ligand metal complexes with in situ generated 5-(pyrazinyl)tetrazolate chelating-bridging ligand: in situ synthesis, crystal structures, magnetic and luminescent properties","CrystEngComm","2011","13","1","230","","10.1039/c000586j","","","0.71073","MoKα","","0.0164","0.0157","","","0.0396","0.04","","","","","","1.063","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205050","16.1407","0.0006","6.9435","0.0002","30.3299","0.0011","90","","90","","90","","3399.2","0.2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H6 Cl2 Hg2 N12 -","- C10 H6 Cl2 Hg2 N12 -","- C80 H48 Cl16 Hg16 N96 -","8","1","","Yang, En-Cui; Feng, Yan; Liu, Zhong-Yi; Liu, Tian-Yu; Zhao, Xiao-Jun","Diverse mixed-ligand metal complexes with in situ generated 5-(pyrazinyl)tetrazolate chelating-bridging ligand: in situ synthesis, crystal structures, magnetic and luminescent properties","CrystEngComm","2011","13","1","230","","10.1039/c000586j","","","0.71073","MoKα","","0.0373","0.0336","","","0.0859","0.0881","","","","","","1.05","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205051","7.3629","0.0003","13.9028","0.0006","11.8372","0.0004","90","","123.425","0.002","90","","1011.31","0.07","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H7 Cd Cl N6 O2 -","- C5 H7 Cd Cl N6 O2 -","- C20 H28 Cd4 Cl4 N24 O8 -","4","1","","Yang, En-Cui; Feng, Yan; Liu, Zhong-Yi; Liu, Tian-Yu; Zhao, Xiao-Jun","Diverse mixed-ligand metal complexes with in situ generated 5-(pyrazinyl)tetrazolate chelating-bridging ligand: in situ synthesis, crystal structures, magnetic and luminescent properties","CrystEngComm","2011","13","1","230","","10.1039/c000586j","","","0.71073","MoKα","","0.0361","0.0355","","","0.0775","0.0778","","","","","","1.076","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205052","5.594","0.0009","12.643","0.002","11.2431","0.0016","90","","106.662","0.007","90","","761.8","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H5 Hg0.5 N6 O -","- C5 H5 Hg0.5 N6 O -","- C20 H20 Hg2 N24 O4 -","4","1","","Yang, En-Cui; Feng, Yan; Liu, Zhong-Yi; Liu, Tian-Yu; Zhao, Xiao-Jun","Diverse mixed-ligand metal complexes with in situ generated 5-(pyrazinyl)tetrazolate chelating-bridging ligand: in situ synthesis, crystal structures, magnetic and luminescent properties","CrystEngComm","2011","13","1","230","","10.1039/c000586j","","","0.71073","MoKα","","0.0389","0.0326","","","0.087","0.0931","","","","","","1.052","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205053","7.4195","0.0011","13.9422","0.0019","9.9089","0.0014","90","","95.093","0.002","90","","1021","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C5 H7 Br Cd N6 O2 -","- C5 H7 Br Cd N6 O2 -","- C20 H28 Br4 Cd4 N24 O8 -","4","1","","Yang, En-Cui; Feng, Yan; Liu, Zhong-Yi; Liu, Tian-Yu; Zhao, Xiao-Jun","Diverse mixed-ligand metal complexes with in situ generated 5-(pyrazinyl)tetrazolate chelating-bridging ligand: in situ synthesis, crystal structures, magnetic and luminescent properties","CrystEngComm","2011","13","1","230","","10.1039/c000586j","","","0.71073","MoKα","","0.043","0.0411","","","0.1052","0.1063","","","","","","1.055","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205054","7.276","0.002","10.159","0.003","16.055","0.005","90","","112.545","0.011","90","","1096","0.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H5 Cd I N6 O -","- C5 H5 Cd I N6 O -","- C20 H20 Cd4 I4 N24 O4 -","4","1","","Yang, En-Cui; Feng, Yan; Liu, Zhong-Yi; Liu, Tian-Yu; Zhao, Xiao-Jun","Diverse mixed-ligand metal complexes with in situ generated 5-(pyrazinyl)tetrazolate chelating-bridging ligand: in situ synthesis, crystal structures, magnetic and luminescent properties","CrystEngComm","2011","13","1","230","","10.1039/c000586j","","","0.71073","MoKα","","0.0221","0.0202","","","0.0525","0.0533","","","","","","1.053","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205055","7.2819","0.0006","17.4904","0.0016","14.8161","0.001","90","","115.224","0.003","90","","1707.1","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Hg1.5 N15 O2 -","- C10 H10 Hg1.5 N15 O2 -","- C40 H40 Hg6 N60 O8 -","4","1","","Yang, En-Cui; Feng, Yan; Liu, Zhong-Yi; Liu, Tian-Yu; Zhao, Xiao-Jun","Diverse mixed-ligand metal complexes with in situ generated 5-(pyrazinyl)tetrazolate chelating-bridging ligand: in situ synthesis, crystal structures, magnetic and luminescent properties","CrystEngComm","2011","13","1","230","","10.1039/c000586j","","","0.71073","MoKα","","0.0327","0.0282","","","0.071","0.0734","","","","","","1.06","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205056","9.6892","0.0016","9.8474","0.0016","13.533","0.002","99.395","0.002","109.368","0.002","101.945","0.002","1153.6","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H14 Cu Mo4 N6 O15 -","- C12 H14 Cu Mo4 N6 O15 -","- C24 H28 Cu2 Mo8 N12 O30 -","2","1","","Li, Ming-Xing; Chen, Hui-Ling; Geng, Jin-Peng; He, Xiang; Shao, Min; Zhu, Shou-Rong; Wang, Zhao-Xi","Unprecedented cyclic [Mo6O19]2− cluster and five organic‒inorganic hybrids based on polyoxomolybdates and 4-amino-3,5-bis(pyridyl)-1,2,4-triazole","CrystEngComm","2011","13","5","1687","","10.1039/c002063j","","","0.71073","MoKα","","0.0387","0.035","","","0.0996","0.104","","","","","","1.061","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205057","10.626","0.0007","15.8212","0.001","12.8521","0.0008","90","","100.703","0.001","90","","2123.1","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 Mo8 N12 O26 -","- C24 H24 Mo8 N12 O26 -","- C48 H48 Mo16 N24 O52 -","2","0.5","","Li, Ming-Xing; Chen, Hui-Ling; Geng, Jin-Peng; He, Xiang; Shao, Min; Zhu, Shou-Rong; Wang, Zhao-Xi","Unprecedented cyclic [Mo6O19]2− cluster and five organic‒inorganic hybrids based on polyoxomolybdates and 4-amino-3,5-bis(pyridyl)-1,2,4-triazole","CrystEngComm","2011","13","5","1687","","10.1039/c002063j","","","0.71073","MoKα","","0.027","0.024","","","0.0592","0.0608","","","","","","1.079","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205058","7.663","0.0004","29.474","0.0017","9.7421","0.0006","90","","101.823","0.001","90","","2153.7","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Cu Mo4 N6 O14 -","- C12 H12 Cu Mo4 N6 O14 -","- C48 H48 Cu4 Mo16 N24 O56 -","4","1","","Li, Ming-Xing; Chen, Hui-Ling; Geng, Jin-Peng; He, Xiang; Shao, Min; Zhu, Shou-Rong; Wang, Zhao-Xi","Unprecedented cyclic [Mo6O19]2− cluster and five organic‒inorganic hybrids based on polyoxomolybdates and 4-amino-3,5-bis(pyridyl)-1,2,4-triazole","CrystEngComm","2011","13","5","1687","","10.1039/c002063j","","","0.71073","MoKα","","0.0231","0.021","","","0.0482","0.049","","","","","","1.099","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205059","10.9052","0.0006","17.603","0.001","7.8921","0.0004","90","","92.64","0.002","90","","1513.39","0.14","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Cu Mo N6 O5 -","- C12 H12 Cu Mo N6 O5 -","- C48 H48 Cu4 Mo4 N24 O20 -","4","1","","Li, Ming-Xing; Chen, Hui-Ling; Geng, Jin-Peng; He, Xiang; Shao, Min; Zhu, Shou-Rong; Wang, Zhao-Xi","Unprecedented cyclic [Mo6O19]2− cluster and five organic‒inorganic hybrids based on polyoxomolybdates and 4-amino-3,5-bis(pyridyl)-1,2,4-triazole","CrystEngComm","2011","13","5","1687","","10.1039/c002063j","","","0.71073","MoKα","","0.0713","0.0448","","","0.0912","0.1045","","","","","","1.054","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205060","9.5193","0.0008","10.9534","0.0009","11.4935","0.0009","91.786","0.001","113.8","0.001","105.469","0.001","1043.61","0.15","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H28 Co Mo6 N12 O23 -","- C24 H28 Co Mo6 N12 O23 -","- C24 H28 Co Mo6 N12 O23 -","1","0.5","","Li, Ming-Xing; Chen, Hui-Ling; Geng, Jin-Peng; He, Xiang; Shao, Min; Zhu, Shou-Rong; Wang, Zhao-Xi","Unprecedented cyclic [Mo6O19]2− cluster and five organic‒inorganic hybrids based on polyoxomolybdates and 4-amino-3,5-bis(pyridyl)-1,2,4-triazole","CrystEngComm","2011","13","5","1687","","10.1039/c002063j","","","0.71073","MoKα","","0.0277","0.0264","","","0.0702","0.071","","","","","","1.103","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205061","14.7948","0.0005","43.785","0.002","18.951","0.001","90","","100.165","0.004","90","","12083.6","0.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C254 H286 N4 O64 P8 S8 -","- C254 H286 N4 O64 P8 S8 -","- C508 H572 N8 O128 P16 S16 -","2","0.5","","Ling, Irene; Alias, Yatimah; Sobolev, Alexandre N.; Byrne, Lindsay T.; Raston, Colin L.","Supramolecular architecture containing end-capping bis-imidazolium cations","CrystEngComm","2011","13","3","787","","10.1039/c002787a","","","1.54178","CuKα","","0.1884","0.1152","","","0.2746","0.3115","","","","","","1.012","","","","has coordinates,has disorder","180381","2020-10-21","18:00:00",""
"7205062","14.1154","0.0002","14.1154","","47.0311","0.0004","90","","90","","90","","9370.69","0.15","100","2","100","2","","","","","","","","6","P 41","P 4w","76","","","","- C78 H108 Gd2 N4 O50 S8 -","- C78 H108 Gd2 N4 O50 S8 -","- C312 H432 Gd8 N16 O200 S32 -","4","1","","Ling, Irene; Alias, Yatimah; Sobolev, Alexandre N.; Byrne, Lindsay T.; Raston, Colin L.","Supramolecular architecture containing end-capping bis-imidazolium cations","CrystEngComm","2011","13","3","787","","10.1039/c002787a","","","1.54178","CuKα","","0.071","0.0701","","","0.1831","0.1841","","","","","","1.004","","","","has coordinates,has disorder","180381","2020-10-21","18:00:00",""
"7205063","12.6886","0.0003","14.0567","0.0004","14.1856","0.0006","96.182","0.001","110.043","0.001","116.463","0.002","2023.28","0.13","123","2","123","2","","","","","","","","4","P -1","-P 1","2","(3,4:10,11:19,20:26,27-tetrabenzo-5,9,21,25-tetraoxa- tricyclo(27.3.1.113,17) tetratriaconta- 1(32),3,10,13,15,17(34),19,26,29(33),30-decaene-33,34-diol) propylenediamine hemi-salt","(3,4:10,11:19,20:26,27-tetrabenzo-5,9,21,25-tetraoxa-tricyclo[27.3.1.113,17] tetratriaconta-1(32),3,10,13,15,17(34),19,26,29(33),30-decaene-33,34-diol) propylenediamine hemi-salt","","- C49 H54 N2 O6 -","- C49 H54 N2 O6 -","- C98 H108 N4 O12 -","2","1","","Luciawati, Fera; Higham, Luke T.; Strauss, Christopher R.; Scott, Janet L.","Horning-crown diamine complexes and salts: proton transfer mediated by solid-state intermolecular hydrogen bonding","CrystEngComm","2011","13","1","167","","10.1039/c003571h","","","0.71073","MoKα","","0.1494","0.0685","","","0.1529","0.182","","","","","","1.037","","","","has coordinates","198233","2020-10-21","18:00:00",""
"7205064","11.61","0.002","11.669","0.002","18.732","0.004","78.05","0.03","82.69","0.03","60.57","0.03","2161.4","1","123","2","123","2","","","","","","","","4","P -1","-P 1","2","(3,4:10,11:19,20:26,27-tetrabenzo-5,9,21,25-tetraoxa- tricyclo(27.3.1.113,17) tetratriaconta- 1(32),3,10,13,15,17(34),19,26,29(33),30-decaene-33,34-diol) di- ethylenediamine salt","(3,4:10,11:19,20:26,27-tetrabenzo-5,9,21,25-tetraoxa-tricyclo[27.3.1.113,17] tetratriaconta-1(32),3,10,13,15,17(34),19,26,29(33),30-decaene-33,34-diol) di-ethylenediamine salt","","- C50 H60 N4 O6 -","- C50 H60 N4 O6 -","- C100 H120 N8 O12 -","2","1","","Luciawati, Fera; Higham, Luke T.; Strauss, Christopher R.; Scott, Janet L.","Horning-crown diamine complexes and salts: proton transfer mediated by solid-state intermolecular hydrogen bonding","CrystEngComm","2011","13","1","167","","10.1039/c003571h","","","0.71073","MoKα","","0.098","0.0881","","","0.1657","0.1704","","","","","","1.252","","","","has coordinates,has disorder","198233","2020-10-21","18:00:00",""
"7205065","12.7812","0.0005","14.0559","0.0005","14.2325","0.0005","64.129","0.002","69.975","0.002","64.398","0.002","2037.1","0.14","123","2","123","2","","","","","","","","4","P -1","-P 1","2","(3,4:10,11:19,20:26,27-tetrabenzo-5,9,21,25-tetraoxa- tricyclo(27.3.1.113,17) tetratriaconta- 1(32),3,10,13,15,17(34),19,26,29(33),30-decaene-33,34-diol) butylenediamine hemi-salt","(3,4:10,11:19,20:26,27-tetrabenzo-5,9,21,25-tetraoxa-tricyclo[27.3.1.113,17] tetratriaconta-1(32),3,10,13,15,17(34),19,26,29(33),30-decaene-33,34-diol) butylenediamine hemi-salt","","- C50 H56 N2 O6 -","- C50 H56 N2 O6 -","- C100 H112 N4 O12 -","2","1","","Luciawati, Fera; Higham, Luke T.; Strauss, Christopher R.; Scott, Janet L.","Horning-crown diamine complexes and salts: proton transfer mediated by solid-state intermolecular hydrogen bonding","CrystEngComm","2011","13","1","167","","10.1039/c003571h","","","0.71073","MoKα","","0.1132","0.0579","","","0.1182","0.142","","","","","","1.016","","","","has coordinates,has disorder","198233","2020-10-21","18:00:00",""
"7205066","12.6048","0.0007","13.1155","0.0008","15.0029","0.0007","82.348","0.003","75.666","0.003","63.13","0.003","2142.9","0.2","123","2","123","2","","","","","","","","4","P -1","-P 1","2","(3,4:9,10:18,19:24,25-tetrabenzo-5,8,20,23-tetraoxa-tricyclo (25.3.1.112,16)dotriaconta-1(30),3,9,12,14,16(32),18, 24,27(31), 28- decaene-31,32-diol) propylenediamine inclusion complex","(3,4:9,10:18,19:24,25-tetrabenzo-5,8,20,23-tetraoxa-tricyclo [25.3.1.112,16]dotriaconta-1(30),3,9,12,14,16(32),18, 24,27(31), 28-decaene-31,32-diol) propylenediamine inclusion complex","","- C50 H60 N4 O6 -","- C50 H60 N4 O6 -","- C100 H120 N8 O12 -","2","1","","Luciawati, Fera; Higham, Luke T.; Strauss, Christopher R.; Scott, Janet L.","Horning-crown diamine complexes and salts: proton transfer mediated by solid-state intermolecular hydrogen bonding","CrystEngComm","2011","13","1","167","","10.1039/c003571h","","","0.71073","MoKα","","0.1266","0.0846","","","0.1399","0.1581","","","","","","1.113","","","","has coordinates","198233","2020-10-21","18:00:00",""
"7205067","12.6805","0.0002","13.8085","0.0003","14.8731","0.0003","113.964","0.001","93.672","0.001","108.788","0.001","2195.08","0.08","123","2","123","2","","","","","","","","5","P -1","-P 1","2","(3,4:9,10:18,19:24,25-tetrabenzo-5,8,20,23-tetraoxa-tricyclo (25.3.1.112,16)dotriaconta-1(30),3,9,12,14,16(32),18, 24,27(31), 28- decaene-31,32-diol) propylenediamine inclusion complex","(3,4:9,10:18,19:24,25-tetrabenzo-5,8,20,23-tetraoxa-tricyclo [25.3.1.112,16]dotriaconta-1(30),3,9,12,14,16(32),18, 24,27(31), 28-decaene-31,32-diol) propylenediamine inclusion complex","","- C48 H51 Cl3 N2 O6 -","- C48 H51 Cl3 N2 O6 -","- C96 H102 Cl6 N4 O12 -","2","1","","Luciawati, Fera; Higham, Luke T.; Strauss, Christopher R.; Scott, Janet L.","Horning-crown diamine complexes and salts: proton transfer mediated by solid-state intermolecular hydrogen bonding","CrystEngComm","2011","13","1","167","","10.1039/c003571h","","","0.71073","MoKα","","0.135","0.0555","","","0.1105","0.134","","","","","","1.017","","","","has coordinates","198233","2020-10-21","18:00:00",""
"7205068","12.8654","0.0002","14.0595","0.0002","14.5748","0.0003","114.863","0.001","91.742","0.001","109.327","0.001","2212.46","0.07","123","2","123","2","","","","","","","","5","P -1","-P 1","2","(3,4:9,10:18,19:24,25-tetrabenzo-5,8,20,23-tetraoxa-tricyclo (25.3.1.112,16)dotriaconta-1(30),3,9,12,14,16(32),18, 24,27(31), 28- decaene-31,32-diol) butylenediamine hemi-salt","(3,4:9,10:18,19:24,25-tetrabenzo-5,8,20,23-tetraoxa-tricyclo [25.3.1.112,16]dotriaconta-1(30),3,9,12,14,16(32),18, 24,27(31), 28-decaene-31,32-diol) butylenediamine hemi-salt","","- C49 H53 Cl3 N2 O6 -","- C49 H53 Cl3 N2 O6 -","- C98 H106 Cl6 N4 O12 -","2","1","","Luciawati, Fera; Higham, Luke T.; Strauss, Christopher R.; Scott, Janet L.","Horning-crown diamine complexes and salts: proton transfer mediated by solid-state intermolecular hydrogen bonding","CrystEngComm","2011","13","1","167","","10.1039/c003571h","","","0.71073","MoKα","","0.2151","0.0772","","","0.164","0.2137","","","","","","1.023","","","","has coordinates,has disorder","198233","2020-10-21","18:00:00",""
"7205069","18.984","0.003","7.3315","0.0011","16.506","0.003","90","","119.337","0.002","90","","2002.7","0.6","291","2","291","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C30 H42 Cd3 O26 -","- C30 H42 Cd3 O26 -","- C60 H84 Cd6 O52 -","2","0.5","","Ji, Chang-Chun; Li, Jing; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Solvothermal synthesis, structures and physical properties of four new complexes constructed from multi-variant tricarboxylate ligand and pyridyl-based ligands","CrystEngComm","2011","13","2","459","","10.1039/c003986a","","","0.71073","MoKα","","0.0575","0.0467","","","0.081","0.0823","","","","","","1.021","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205070","11.845","0.002","14.043","0.003","17.092","0.003","90","","108.75","0.003","90","","2692.2","0.9","291","2","291","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C45 H44 Cd2 N6 O20 -","- C45 H44 Cd2 N6 O20 -","- C90 H88 Cd4 N12 O40 -","2","0.5","","Ji, Chang-Chun; Li, Jing; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Solvothermal synthesis, structures and physical properties of four new complexes constructed from multi-variant tricarboxylate ligand and pyridyl-based ligands","CrystEngComm","2011","13","2","459","","10.1039/c003986a","","","0.71073","MoKα","","0.0675","0.0547","","","0.1447","0.1501","","","","","","1.071","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205071","6.94","0.003","9.896","0.004","13.149","0.005","94.652","0.007","99.553","0.007","96.088","0.008","881","0.6","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H14 Mn N O7 -","- C20 H14 Mn N O7 -","- C40 H28 Mn2 N2 O14 -","2","1","","Ji, Chang-Chun; Li, Jing; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Solvothermal synthesis, structures and physical properties of four new complexes constructed from multi-variant tricarboxylate ligand and pyridyl-based ligands","CrystEngComm","2011","13","2","459","","10.1039/c003986a","","","0.71073","MoKα","","0.0997","0.0616","","","0.0882","0.0949","","","","","","1","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205072","6.93","0.002","9.658","0.003","13.022","0.004","93.719","0.006","99.179","0.006","94.856","0.007","854.6","0.4","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H14 Co N O7 -","- C20 H14 Co N O7 -","- C40 H28 Co2 N2 O14 -","2","1","","Ji, Chang-Chun; Li, Jing; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Solvothermal synthesis, structures and physical properties of four new complexes constructed from multi-variant tricarboxylate ligand and pyridyl-based ligands","CrystEngComm","2011","13","2","459","","10.1039/c003986a","","","0.71073","MoKα","","0.0978","0.064","","","0.156","0.1655","","","","","","1.022","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205073","10.2868","0.0001","10.7031","0.0002","21.5105","0.0003","80.713","0.001","84.376","0.001","84.733","0.001","2319.06","0.06","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H29 Cu2 Mo5 N16 O26 P2 -","- C24 H29 Cu2 Mo5 N16 O26 P2 -","- C48 H58 Cu4 Mo10 N32 O52 P4 -","2","1","","Jin, Hai-Juan; Zhou, Bai-Bin; Yu, Yang; Zhao, Zhi-Feng; Su, Zhan-Hua","Inorganic‒organic hybrids constructed from heteropolymolybdate anions and copper‒organic fragments: syntheses, structures and properties","CrystEngComm","2011","13","2","585","","10.1039/c004063k","","","0.71073","MoKα","","0.0386","0.0298","","","0.0691","0.0737","","","","","","1.051","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205074","11.9385","0.0004","12.8328","0.0004","19.2691","0.0006","78.616","0.001","77.813","0.001","71.08","","2703.01","0.15","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H92 Cu5 Mo10 N32 O70 P4 -","- C48 H92 Cu5 Mo10 N32 O70 P4 -","- C48 H92 Cu5 Mo10 N32 O70 P4 -","1","0.5","","Jin, Hai-Juan; Zhou, Bai-Bin; Yu, Yang; Zhao, Zhi-Feng; Su, Zhan-Hua","Inorganic‒organic hybrids constructed from heteropolymolybdate anions and copper‒organic fragments: syntheses, structures and properties","CrystEngComm","2011","13","2","585","","10.1039/c004063k","","","0.71073","MoKα","","0.0381","0.0314","","","0.0785","0.0828","","","","","","1.013","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205075","11.8981","0.0005","18.8195","0.0007","12.6","0.0005","90","","105.865","0.001","90","","2713.88","0.19","273","2","273","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C36 H35 Cu3 Mo5 N18 O25 P2 -","- C36 H35 Cu3 Mo5 N18 O25 P2 -","- C72 H70 Cu6 Mo10 N36 O50 P4 -","2","1","","Jin, Hai-Juan; Zhou, Bai-Bin; Yu, Yang; Zhao, Zhi-Feng; Su, Zhan-Hua","Inorganic‒organic hybrids constructed from heteropolymolybdate anions and copper‒organic fragments: syntheses, structures and properties","CrystEngComm","2011","13","2","585","","10.1039/c004063k","","","0.71073","MoKα","","0.0597","0.0451","","","0.0764","0.0851","","","","","","1.001","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205076","20.7624","0.0007","11.4376","0.0004","16.7341","0.0006","90","","102.662","0.001","90","","3877.2","0.2","273","2","273","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C12 H18 Cu2 Mg Mo5 N8 O29 P2 -","- C12 H18 Cu2 Mg Mo5 N8 O29 P2 -","- C48 H72 Cu8 Mg4 Mo20 N32 O116 P8 -","4","0.5","","Jin, Hai-Juan; Zhou, Bai-Bin; Yu, Yang; Zhao, Zhi-Feng; Su, Zhan-Hua","Inorganic‒organic hybrids constructed from heteropolymolybdate anions and copper‒organic fragments: syntheses, structures and properties","CrystEngComm","2011","13","2","585","","10.1039/c004063k","","","0.71073","MoKα","","0.0669","0.0433","","","0.1089","0.1191","","","","","","1.063","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205077","13.853","0.003","13.391","0.003","18.438","0.007","90","","119.54","0.02","90","","2975.7","1.6","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H62 Co3 F2 N6 O26 -","- C64 H62 Co3 F2 N6 O26 -","- C128 H124 Co6 F4 N12 O52 -","2","0.5","","Wang, Shuang; Qin, Jie; Wang, Xin-Long; Qin, Chao; Li, Ting-Ting; Su, Zhong-Min","Two unusual self-threading frameworks self-assembled from mixed ligands and cobalt/zinc ions","CrystEngComm","2011","13","1","325","","10.1039/c004065g","","","0.71073","MoKα","","0.0365","0.0305","","","0.0773","0.0799","","","","","","1.008","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205078","13.859","0.003","13.313","0.003","18.894","0.007","90","","119.31","0.02","90","","3039.8","1.6","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H62 F2 N6 O26 Zn3 -","- C64 H62 F2 N6 O26 Zn3 -","- C128 H124 F4 N12 O52 Zn6 -","2","0.5","","Wang, Shuang; Qin, Jie; Wang, Xin-Long; Qin, Chao; Li, Ting-Ting; Su, Zhong-Min","Two unusual self-threading frameworks self-assembled from mixed ligands and cobalt/zinc ions","CrystEngComm","2011","13","1","325","","10.1039/c004065g","","","0.71073","MoKα","","0.0928","0.0736","","","0.1943","0.2126","","","","","","1.015","","","","has coordinates,has disorder","180381","2020-10-21","18:00:00",""
"7205079","12.606","0.003","13.815","0.003","14.013","0.003","78.919","0.002","86.321","0.002","87.03","0.002","2388","0.9","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C73.33 H74.07 Cl12 Mn4 N14 Nb6 O13.7 -","- C71.34 H62.68 Cl12 Mn4 N14 Nb6 O10 -","- C71.34 H62.68 Cl12 Mn4 N14 Nb6 O10 -","1","0.5","","Zhang, Jian-Jun; Day, Cynthia S.; Lachgar, Abdessadek","Self-assembly and solvent-mediated structural transformation of one-dimensional cluster-based coordination polymer","CrystEngComm","2011","13","1","133","","10.1039/c004119j","","","0.71073","MoKα","","0.0715","0.047","","","0.1038","0.1119","","","","","","0.972","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7205080","7.714","0.0015","9.76","0.002","15.675","0.003","90.12","0.02","96.87","0.03","107.23","0.03","1118.2","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","18,18'-(E)-ethene-1,2-diylbis-2,3,5,6,8,9,11,12,14,15- decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecine bis(ethanedithioamide) clathrate","18,18'-(E)-ethene-1,2-diylbis-2,3,5,6,8,9,11,12,14,15-decahydro- 1,4,7,10,13,16-benzohexaoxacyclooctadecine bis(ethanedithioamide) clathrate","","- C38 H56 N4 O12 S4 -","- C38 H54.336 N4 O12 S4 -","- C38 H54.336 N4 O12 S4 -","1","0.5","","Ganin, Eduard V.; Basok, Stepan S.; Yavolovskii, Arkadii A.; Botoshansky, Mark M.; Fonari, Marina S.","From chains to ladders in co-crystals with 2,3-thiophene-15-crown-5, 2,3-naphtho-15-crown-5, and bis-(18-crown-6)-stilbene constructed by weak hydrogen bonding","CrystEngComm","2011","13","2","674","","10.1039/c005284c","","","0.71073","MoKα","","0.2223","0.0523","","","0.0788","0.1002","","","","","","0.772","","","","has coordinates,has disorder","180381","2020-10-21","18:00:00",""
"7205081","16.674","0.003","8.545","0.002","19.279","0.004","90","","90","","90","","2746.9","1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2,3,5,6,8,9,11,12-octahydro-thieno(3,4-b)-1,4,7,10,13- pentaoxacyclopentadecyne","2,3,5,6,8,9,11,12-octahydro-thieno[3,4-b]- 1,4,7,10,13-pentaoxacyclopentadecyne","","- C12 H18 O5 S -","- C12 H18 O5 S -","- C96 H144 O40 S8 -","8","1","","Ganin, Eduard V.; Basok, Stepan S.; Yavolovskii, Arkadii A.; Botoshansky, Mark M.; Fonari, Marina S.","From chains to ladders in co-crystals with 2,3-thiophene-15-crown-5, 2,3-naphtho-15-crown-5, and bis-(18-crown-6)-stilbene constructed by weak hydrogen bonding","CrystEngComm","2011","13","2","674","","10.1039/c005284c","","","0.71073","MoKα","","0.1118","0.0511","","","0.1407","0.158","","","","","","1.038","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205082","7.219","0.001","10.992","0.002","13.356","0.003","89.43","0.02","78.84","0.02","80.8","0.02","1026.2","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","2,3,5,6,8,9,11,12-octahydronaphtho(2,3-b)(1,4,7,10,13) pentaoxacyclopentadecine 3-nitro-1H-1,2,4-triazole clathrate","2,3,5,6,8,9,11,12-octahydronaphtho[2,3-b][1,4,7,10,13] pentaoxacyclopentadecine 3-nitro-1H-1,2,4-triazole clathrate","","- C20 H24 N4 O7 -","- C20 H24 N4 O7 -","- C40 H48 N8 O14 -","2","1","","Ganin, Eduard V.; Basok, Stepan S.; Yavolovskii, Arkadii A.; Botoshansky, Mark M.; Fonari, Marina S.","From chains to ladders in co-crystals with 2,3-thiophene-15-crown-5, 2,3-naphtho-15-crown-5, and bis-(18-crown-6)-stilbene constructed by weak hydrogen bonding","CrystEngComm","2011","13","2","674","","10.1039/c005284c","","","0.71073","MoKα","","0.1119","0.0478","","","0.1088","0.1294","","","","","","0.93","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205083","9.945","0.002","15.102","0.003","12.647","0.002","90","","91.68","0.02","90","","1898.6","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2,3,5,6,8,9,11,12-octahydro-thieno(3,4-b)-1,4,7,10,13- pentaoxacyclopentadecyne ethanebis(thioamide)","2,3,5,6,8,9,11,12-octahydro-thieno[3,4-b]- 1,4,7,10,13-pentaoxacyclopentadecyne ethanebis(thioamide)","","- C14 H22 N2 O5 S3 -","- C14 H20.984 N2 O5 S3 -","- C56 H83.936 N8 O20 S12 -","4","1","","Ganin, Eduard V.; Basok, Stepan S.; Yavolovskii, Arkadii A.; Botoshansky, Mark M.; Fonari, Marina S.","From chains to ladders in co-crystals with 2,3-thiophene-15-crown-5, 2,3-naphtho-15-crown-5, and bis-(18-crown-6)-stilbene constructed by weak hydrogen bonding","CrystEngComm","2011","13","2","674","","10.1039/c005284c","","","0.71073","MoKα","","0.0724","0.0364","","","0.0829","0.0902","","","","","","0.98","","","","has coordinates,has disorder","180381","2020-10-21","18:00:00",""
"7205084","7.965","0.002","10.521","0.002","13.08","0.003","90","","93.68","0.02","90","","1093.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","2,3,5,6,8,9,11,12-octahydronaphtho(2,3-b)(1,4,7,10,13) pentaoxacyclopentadecine ethanebis(thioamide) clathrate","2,3,5,6,8,9,11,12-octahydronaphtho[2,3-b][1,4,7,10,13] pentaoxacyclopentadecine ethanebis(thioamide) clathrate","","- C20 H26 N2 O5 S2 -","- C20 H26 N2 O5 S2 -","- C40 H52 N4 O10 S4 -","2","0.5","","Ganin, Eduard V.; Basok, Stepan S.; Yavolovskii, Arkadii A.; Botoshansky, Mark M.; Fonari, Marina S.","From chains to ladders in co-crystals with 2,3-thiophene-15-crown-5, 2,3-naphtho-15-crown-5, and bis-(18-crown-6)-stilbene constructed by weak hydrogen bonding","CrystEngComm","2011","13","2","674","","10.1039/c005284c","","","0.71073","MoKα","","0.0707","0.0423","","","0.1143","0.1213","","","","","","1.005","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205085","10.536","0.002","15.585","0.004","13.639","0.003","90","","91.17","0.02","90","","2239.1","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,3,5,6,8,9,11,12-octahydronaphtho(2,3-b) (1,4,7,10,13)pentaoxacyclopentadecine 1,2,5-oxadiazole-3,4-diamine monohydrate","2,3,5,6,8,9,11,12-octahydronaphtho[2,3-b] [1,4,7,10,13]pentaoxacyclopentadecine 1,2,5-oxadiazole-3,4-diamine monohydrate","","- C20 H28 N4 O7 -","- C20 H28 N4 O7 -","- C80 H112 N16 O28 -","4","1","","Ganin, Eduard V.; Basok, Stepan S.; Yavolovskii, Arkadii A.; Botoshansky, Mark M.; Fonari, Marina S.","From chains to ladders in co-crystals with 2,3-thiophene-15-crown-5, 2,3-naphtho-15-crown-5, and bis-(18-crown-6)-stilbene constructed by weak hydrogen bonding","CrystEngComm","2011","13","2","674","","10.1039/c005284c","","","0.71073","MoKα","","0.1325","0.0365","","","0.0616","0.076","","","","","","0.846","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205086","10.5283","0.0008","13.4817","0.0012","20.5006","0.0018","90","","102.016","0.004","90","","2846.1","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 N6 O19.5 Pr2 -","- C18 H6 N6 O19.5 Pr2 -","- C72 H24 N24 O78 Pr8 -","4","1","","Henry, Natacha; Costenoble, Sylvain; Lagrenée, Michel; Loiseau, Thierry; Abraham, Francis","Lanthanide-based 0D and 2D molecular assemblies with the pyridazine-3,6-dicarboxylate linker","CrystEngComm","2011","13","1","251","","10.1039/c0ce00013b","","","0.71073","MoKα","","0.0316","0.0238","","","0.068","0.0801","","","","","","1.025","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205087","10.4836","0.0005","13.4043","0.0008","20.4238","0.0013","90","","102.163","0.003","90","","2805.6","0.3","296","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 N6 Nd2 O19.5 -","- C18 H6 N6 Nd2 O19.5 -","- C72 H24 N24 Nd8 O78 -","4","1","","Henry, Natacha; Costenoble, Sylvain; Lagrenée, Michel; Loiseau, Thierry; Abraham, Francis","Lanthanide-based 0D and 2D molecular assemblies with the pyridazine-3,6-dicarboxylate linker","CrystEngComm","2011","13","1","251","","10.1039/c0ce00013b","","","0.71073","MoKα","","0.0493","0.0318","","","0.0802","0.0965","","","","","","1.084","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205088","10.4555","0.0019","13.333","0.003","20.372","0.003","90","","102.245","0.01","90","","2775.3","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 N6 O19.5 Sm2 -","- C18 H6 N6 O19.5 Sm2 -","- C72 H24 N24 O78 Sm8 -","4","1","","Henry, Natacha; Costenoble, Sylvain; Lagrenée, Michel; Loiseau, Thierry; Abraham, Francis","Lanthanide-based 0D and 2D molecular assemblies with the pyridazine-3,6-dicarboxylate linker","CrystEngComm","2011","13","1","251","","10.1039/c0ce00013b","","","0.71073","MoKα","","0.0637","0.0322","","","0.0778","0.1025","","","","","","1.067","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205089","10.4063","0.001","13.1997","0.0013","20.244","0.002","90","","102.695","0.005","90","","2712.7","0.5","302","2","302","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Eu2 N6 O19 -","- C18 H6 Eu2 N6 O19 -","- C72 H24 Eu8 N24 O76 -","4","1","","Henry, Natacha; Costenoble, Sylvain; Lagrenée, Michel; Loiseau, Thierry; Abraham, Francis","Lanthanide-based 0D and 2D molecular assemblies with the pyridazine-3,6-dicarboxylate linker","CrystEngComm","2011","13","1","251","","10.1039/c0ce00013b","","","0.71073","MoKα","","0.0295","0.0224","","","0.0546","0.0582","","","","","","0.977","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205090","11.8519","0.0002","19.6425","0.0003","14.9977","0.0003","90","","102.508","0.001","90","","3408.61","0.1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 Gd2 N6 O21 -","- C18 H6 Gd2 N6 O21 -","- C72 H24 Gd8 N24 O84 -","4","1","","Henry, Natacha; Costenoble, Sylvain; Lagrenée, Michel; Loiseau, Thierry; Abraham, Francis","Lanthanide-based 0D and 2D molecular assemblies with the pyridazine-3,6-dicarboxylate linker","CrystEngComm","2011","13","1","251","","10.1039/c0ce00013b","","","0.71073","MoKα","","0.052","0.0355","","","0.1147","0.1362","","","","","","1.024","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205091","11.8076","0.0006","19.602","0.001","14.9743","0.0007","90","","102.75","0.002","90","","3380.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 N6 O21 Tb2 -","- C18 H6 N6 O21 Tb2 -","- C72 H24 N24 O84 Tb8 -","4","1","","Henry, Natacha; Costenoble, Sylvain; Lagrenée, Michel; Loiseau, Thierry; Abraham, Francis","Lanthanide-based 0D and 2D molecular assemblies with the pyridazine-3,6-dicarboxylate linker","CrystEngComm","2011","13","1","251","","10.1039/c0ce00013b","","","0.71073","MoKα","","0.0486","0.0353","","","0.1156","0.1359","","","","","","1.085","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205092","11.8365","0.0003","19.5914","0.0005","15.0554","0.0004","90","","102.632","0.001","90","","3406.74","0.15","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 Dy2 N6 O21 -","- C18 H6 Dy2 N6 O21 -","- C72 H24 Dy8 N24 O84 -","4","1","","Henry, Natacha; Costenoble, Sylvain; Lagrenée, Michel; Loiseau, Thierry; Abraham, Francis","Lanthanide-based 0D and 2D molecular assemblies with the pyridazine-3,6-dicarboxylate linker","CrystEngComm","2011","13","1","251","","10.1039/c0ce00013b","","","0.71073","MoKα","","0.0564","0.0352","","","0.1176","0.1377","","","","","","1.019","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205093","11.8162","0.0008","19.4943","0.0013","15.0763","0.001","90","","102.854","0.003","90","","3385.8","0.4","296","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 Er2 N6 O21 -","- C18 H6 Er2 N6 O21 -","- C72 H24 Er8 N24 O84 -","4","1","","Henry, Natacha; Costenoble, Sylvain; Lagrenée, Michel; Loiseau, Thierry; Abraham, Francis","Lanthanide-based 0D and 2D molecular assemblies with the pyridazine-3,6-dicarboxylate linker","CrystEngComm","2011","13","1","251","","10.1039/c0ce00013b","","","0.71073","MoKα","","0.0656","0.0433","","","0.1301","0.1451","","","","","","1.041","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205094","11.798","0.0007","19.4168","0.0012","14.8932","0.001","90","","103.041","0.003","90","","3323.7","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 Lu2 N6 O21 -","- C18 H6 Lu2 N6 O21 -","- C72 H24 Lu8 N24 O84 -","4","1","","Henry, Natacha; Costenoble, Sylvain; Lagrenée, Michel; Loiseau, Thierry; Abraham, Francis","Lanthanide-based 0D and 2D molecular assemblies with the pyridazine-3,6-dicarboxylate linker","CrystEngComm","2011","13","1","251","","10.1039/c0ce00013b","","","0.71073","MoKα","","0.0428","0.0336","","","0.1041","0.1229","","","","","","1.157","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205095","11.205","0.0004","19.53","0.0007","11.455","0.0004","90","","104.218","0.0007","90","","2429.95","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H16 N3 O9 Zn2 -","- C23 H16 N3 O9 Zn2 -","- C92 H64 N12 O36 Zn8 -","4","1","","Shao, Kui-Zhan; Zhao, Ya-Hui; Lan, Ya-Qian; Wang, Xin-Long; Su, Zhong-Min; Wang, Rong-Shun","Molecular tectonics of metal‒organic frameworks based on ligand-modulated polynuclear zinc SBUs and aromatic multicarboxylic acids","CrystEngComm","2011","13","3","889","","10.1039/c0ce00042f","","","0.71069","MoKα","","0.0461","0.0353","","","0.0774","0.0824","","","","","","1.052","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205096","12.3267","0.0005","15.0656","0.0006","14.5968","0.0006","90","","108.631","0.001","90","","2568.7","0.18","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 N3 O12 Zn2 -","- C22 H14 N3 O12 Zn2 -","- C88 H56 N12 O48 Zn8 -","4","1","","Shao, Kui-Zhan; Zhao, Ya-Hui; Lan, Ya-Qian; Wang, Xin-Long; Su, Zhong-Min; Wang, Rong-Shun","Molecular tectonics of metal‒organic frameworks based on ligand-modulated polynuclear zinc SBUs and aromatic multicarboxylic acids","CrystEngComm","2011","13","3","889","","10.1039/c0ce00042f","","","0.71073","MoKα","","0.0559","0.0405","","","0.1121","0.1204","","","","","","1.053","","","","has coordinates,has disorder","180381","2020-10-21","18:00:00",""
"7205097","14.839","0.0006","15.717","0.0006","22.081","0.0009","90","","90","","90","","5149.8","0.4","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22 H22 N3 O14 Zn2 -","- C22 H15 N3 O14 Zn2 -","- C176 H120 N24 O112 Zn16 -","8","1","","Shao, Kui-Zhan; Zhao, Ya-Hui; Lan, Ya-Qian; Wang, Xin-Long; Su, Zhong-Min; Wang, Rong-Shun","Molecular tectonics of metal‒organic frameworks based on ligand-modulated polynuclear zinc SBUs and aromatic multicarboxylic acids","CrystEngComm","2011","13","3","889","","10.1039/c0ce00042f","","","0.71069","MoKα","","0.0673","0.0354","","","0.0879","0.1037","","","","","","1.009","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205098","16.379","0.0005","16.361","0.0005","28.999","0.0009","90","","90","","90","","7771.1","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H43.5 N O13.25 Zn3 -","- C34 H43.5 N O13.25 Zn3 -","- C272 H348 N8 O106 Zn24 -","8","1","","Shao, Kui-Zhan; Zhao, Ya-Hui; Lan, Ya-Qian; Wang, Xin-Long; Su, Zhong-Min; Wang, Rong-Shun","Molecular tectonics of metal‒organic frameworks based on ligand-modulated polynuclear zinc SBUs and aromatic multicarboxylic acids","CrystEngComm","2011","13","3","889","","10.1039/c0ce00042f","","","0.71069","MoKα","","0.0713","0.0329","","","0.0705","0.0748","","","","","","0.893","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205099","19.5062","0.0004","12.373","0.0006","15.0076","0.0005","90","","113.717","0.001","90","","3316.2","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H10 N3 O7 Zn2 -","- C16 H9 N3 O7 Zn2 -","- C128 H72 N24 O56 Zn16 -","8","1","","Shao, Kui-Zhan; Zhao, Ya-Hui; Lan, Ya-Qian; Wang, Xin-Long; Su, Zhong-Min; Wang, Rong-Shun","Molecular tectonics of metal‒organic frameworks based on ligand-modulated polynuclear zinc SBUs and aromatic multicarboxylic acids","CrystEngComm","2011","13","3","889","","10.1039/c0ce00042f","","","0.71073","MoKα","","0.03","0.0254","","","0.0617","0.0625","","","","","","1","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205100","7.5291","0.0006","9.0289","0.0007","11.2318","0.0009","106.417","0.001","104.611","0.001","100.197","0.001","682.88","0.09","292","2","292","2","","","","","","","see text","5","P -1","-P 1","2","","","","- C14 H14 F N2 O3 -","- C14 H14 F N2 O3 -","- C28 H28 F2 N4 O6 -","2","1","","Nayak, Susanta K.; Venugopala, K. N.; Chopra, Deepak; Row, T. N. Guru","Insights into conformational and packing features in a series of aryl substituted ethyl-6-methyl-4-phenyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylates","CrystEngComm","2011","13","2","591","","10.1039/c0ce00045k","","x-ray","0.71073","MoKα","","0.0645","0.0537","","","0.1313","0.1389","","","","","","1.062","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205101","15.829","0.004","7.2551","0.0012","24.285","0.004","90","","106.972","0.005","90","","2667.4","0.9","120","2","120","2","","","","","","","see text","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H15 F N2 O3 -","- C14 H15 F N2 O3 -","- C112 H120 F8 N16 O24 -","8","1","","Nayak, Susanta K.; Venugopala, K. N.; Chopra, Deepak; Row, T. N. Guru","Insights into conformational and packing features in a series of aryl substituted ethyl-6-methyl-4-phenyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylates","CrystEngComm","2011","13","2","591","","10.1039/c0ce00045k","","","0.7107","MoKα","","0.0693","0.0571","","","0.1378","0.1427","","","","","","1.08","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205102","12.0087","0.0007","7.3445","0.0004","29.8816","0.0015","90","","92.941","0.004","90","","2632","0.2","120","2","120","","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H30 F2 N4 O6 -","- C28 H30 F2 N4 O6 -","- C112 H120 F8 N16 O24 -","4","1","","Nayak, Susanta K.; Venugopala, K. N.; Chopra, Deepak; Row, T. N. Guru","Insights into conformational and packing features in a series of aryl substituted ethyl-6-methyl-4-phenyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylates","CrystEngComm","2011","13","2","591","","10.1039/c0ce00045k","","","0.7107","MoKα","","0.1989","0.0568","","","0.0958","0.1186","","","","","","0.809","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205103","12.7632","0.0003","7.329","0.0002","29.7055","0.001","90","","93.705","0.002","90","","2772.89","0.14","120","2","120","2","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 Cl N2 O3 -","- C14 H15 Cl N2 O3 -","- C112 H120 Cl8 N16 O24 -","8","2","","Nayak, Susanta K.; Venugopala, K. N.; Chopra, Deepak; Row, T. N. Guru","Insights into conformational and packing features in a series of aryl substituted ethyl-6-methyl-4-phenyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylates","CrystEngComm","2011","13","2","591","","10.1039/c0ce00045k","","","0.7107","MoKα","","0.0489","0.0403","","","0.1002","0.1032","","","","","","1.037","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205104","7.5081","0.0006","8.6307","0.0008","12.7259","0.0011","105.102","0.008","104.686","0.007","100.544","0.007","742.26","0.12","292","2","292","2","","","","","","","see text","5","P -1","-P 1","2","","","","- C14 H15 Br N2 O3 -","- C14 H15 Br N2 O3 -","- C28 H30 Br2 N4 O6 -","2","1","","Nayak, Susanta K.; Venugopala, K. N.; Chopra, Deepak; Row, T. N. Guru","Insights into conformational and packing features in a series of aryl substituted ethyl-6-methyl-4-phenyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylates","CrystEngComm","2011","13","2","591","","10.1039/c0ce00045k","","","0.7107","MoKα","","0.1296","0.0615","","","0.1467","0.164","","","","","","0.872","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205105","12.7835","0.0006","7.3412","0.0003","29.5499","0.0014","90","","93.462","0.004","90","","2768.1","0.2","120","2","120","2","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 N2 O3 -","- C15 H18 N2 O3 -","- C120 H144 N16 O24 -","8","2","","Nayak, Susanta K.; Venugopala, K. N.; Chopra, Deepak; Row, T. N. Guru","Insights into conformational and packing features in a series of aryl substituted ethyl-6-methyl-4-phenyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylates","CrystEngComm","2011","13","2","591","","10.1039/c0ce00045k","","","0.7107","MoKα","","0.1117","0.058","","","0.1323","0.1452","","","","","","0.951","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205106","15.7414","0.001","7.31","0.0004","26.3147","0.0014","90","","103.377","0.006","90","","2945.9","0.3","120","2","120","2","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 N2 O4 -","- C15 H18 N2 O4 -","- C120 H144 N16 O32 -","8","2","","Nayak, Susanta K.; Venugopala, K. N.; Chopra, Deepak; Row, T. N. Guru","Insights into conformational and packing features in a series of aryl substituted ethyl-6-methyl-4-phenyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylates","CrystEngComm","2011","13","2","591","","10.1039/c0ce00045k","","","0.7107","MoKα","","0.0939","0.0504","","","0.1186","0.1277","","","","","","0.931","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205107","12.245","0.0004","7.4478","0.0002","16.1914","0.0005","90","","106.676","0.003","90","","1414.53","0.08","292","2","292","2","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 N2 O4 -","- C15 H18 N2 O4 -","- C60 H72 N8 O16 -","4","1","","Nayak, Susanta K.; Venugopala, K. N.; Chopra, Deepak; Row, T. N. Guru","Insights into conformational and packing features in a series of aryl substituted ethyl-6-methyl-4-phenyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylates","CrystEngComm","2011","13","2","591","","10.1039/c0ce00045k","","","0.7107","MoKα","","0.077","0.0452","","","0.1069","0.1133","","","","","","0.968","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205108","12.2806","0.001","7.4567","0.0006","17.2659","0.0014","90","","109.584","0.009","90","","1489.6","0.2","292","2","292","2","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 N2 O5 -","- C15 H18 N2 O5 -","- C60 H72 N8 O20 -","4","1","","Nayak, Susanta K.; Venugopala, K. N.; Chopra, Deepak; Row, T. N. Guru","Insights into conformational and packing features in a series of aryl substituted ethyl-6-methyl-4-phenyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylates","CrystEngComm","2011","13","2","591","","10.1039/c0ce00045k","","","0.7107","MoKα","","0.0838","0.0525","","","0.1437","0.1563","","","","","","1.077","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205109","16.516","0.0013","17.6806","0.0013","17.3266","0.0014","90","","153.568","0.001","90","","2252.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 Cd N2 O6 -","- C22 H24 Cd N2 O6 -","- C88 H96 Cd4 N8 O24 -","4","1","","He, Haiyan; Dou, Jianmin; Li, Dacheng; Ma, Huiqing; Sun, Daofeng","Synthesis, crystal structures and properties of four topological structures based on 2,3,5,6-tetramethyl-1,4-benzenedicarboxylate acid and bipyridine ligands","CrystEngComm","2011","13","5","1509","","10.1039/c0ce00047g","","","0.71073","MoKα","","0.0705","0.0396","","","0.0818","0.0941","","","","","","1.016","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205110","11.578","0.004","11.488","0.004","9.342","0.003","90","","113.459","0.006","90","","1139.9","0.7","173","2","173","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C22 H28 Co N2 O8 -","- C22 H28 Co N2 O8 -","- C44 H56 Co2 N4 O16 -","2","0.25","","He, Haiyan; Dou, Jianmin; Li, Dacheng; Ma, Huiqing; Sun, Daofeng","Synthesis, crystal structures and properties of four topological structures based on 2,3,5,6-tetramethyl-1,4-benzenedicarboxylate acid and bipyridine ligands","CrystEngComm","2011","13","5","1509","","10.1039/c0ce00047g","","","0.71073","MoKα","","0.0374","0.0322","","","0.0748","0.0779","","","","","","1.054","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205111","14.1443","0.001","10.5695","0.0007","13.5488","0.0009","90","","109.791","0.001","90","","1905.9","0.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 N2 Ni O4 -","- C22 H20 N2 Ni O4 -","- C88 H80 N8 Ni4 O16 -","4","0.5","","He, Haiyan; Dou, Jianmin; Li, Dacheng; Ma, Huiqing; Sun, Daofeng","Synthesis, crystal structures and properties of four topological structures based on 2,3,5,6-tetramethyl-1,4-benzenedicarboxylate acid and bipyridine ligands","CrystEngComm","2011","13","5","1509","","10.1039/c0ce00047g","","","0.71073","MoKα","","0.0356","0.0305","","","0.0798","0.083","","","","","","1.061","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205112","14.2254","0.0008","10.6516","0.0006","13.6134","0.0008","90","","110.37","0.001","90","","1933.75","0.19","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 Cu N2 O4 -","- C22 H20 Cu N2 O4 -","- C88 H80 Cu4 N8 O16 -","4","0.5","","He, Haiyan; Dou, Jianmin; Li, Dacheng; Ma, Huiqing; Sun, Daofeng","Synthesis, crystal structures and properties of four topological structures based on 2,3,5,6-tetramethyl-1,4-benzenedicarboxylate acid and bipyridine ligands","CrystEngComm","2011","13","5","1509","","10.1039/c0ce00047g","","","0.71073","MoKα","","0.0314","0.0282","","","0.0811","0.0834","","","","","","1.066","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205113","15.4168","0.0007","15.4168","0.0007","27.623","0.002","90","","90","","90","","6565.4","0.6","173","2","173","2","","","","","","","","5","I 4/m c m","-I 4 2c","140","","","","- C42 H24 Co2 N2 O10 -","- C42 H24 Co2 N2 O10 -","- C168 H96 Co8 N8 O40 -","4","0.125","","He, Haiyan; Dou, Jianmin; Li, Dacheng; Ma, Huiqing; Sun, Daofeng","Synthesis, crystal structures and properties of four topological structures based on 2,3,5,6-tetramethyl-1,4-benzenedicarboxylate acid and bipyridine ligands","CrystEngComm","2011","13","5","1509","","10.1039/c0ce00047g","","","0.71073","MoKα","","0.0866","0.0686","","","0.2135","0.227","","","","","","1.03","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205114","15.745","0.003","9.1922","0.0018","9.4397","0.0019","90","","90","","90","","1366.2","0.5","113","2","113","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C16 H8 Co O8 -","- C16 H8 Co O8 -","- C64 H32 Co4 O32 -","4","0.5","","Su, Yan-Hua; Luo, Feng; Li, Hui; Che, Yun-Xia; Zheng, Ji-Min","Rod-packing motif: a new metal‒organic polymer showing unusual rod-packing architecture","CrystEngComm","2011","13","1","44","","10.1039/c0ce00066c","","","0.71073","MoKα","","0.0565","0.0502","","","0.1226","0.1276","","","","","","1.089","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205115","11.5613","0.0017","27.189","0.004","13.556","0.002","90","","102.803","0.002","90","","4155.3","1.1","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 N2 O3 S -","- C12 H18 N2 O3 S -","- C144 H216 N24 O36 S12 -","12","3","","Nath, Naba K.; Nangia, Ashwini","Novel form V of tolbutamide and a high Z′ crystal structure of form III","CrystEngComm","2011","13","1","47","","10.1039/c0ce00073f","","","0.71073","MoKα","","0.0871","0.0652","","","0.1505","0.1631","","","","","","0.963","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205116","11.787","0.005","9.043","0.004","13.955","0.006","90","","104.644","0.007","90","","1439.1","1.1","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 N2 O3 S -","- C12 H18 N2 O3 S -","- C48 H72 N8 O12 S4 -","4","1","","Nath, Naba K.; Nangia, Ashwini","Novel form V of tolbutamide and a high Z′ crystal structure of form III","CrystEngComm","2011","13","1","47","","10.1039/c0ce00073f","","","0.71073","MoKα","","0.0871","0.0714","","","0.1679","0.1783","","","","","","1.099","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205117","15.851","0.006","9.288","0.004","19.691","0.008","90","","90","","90","","2899","2","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C12 H18 N2 O3 S -","- C12 H18 N2 O3 S -","- C96 H144 N16 O24 S8 -","8","1","","Nath, Naba K.; Nangia, Ashwini","Novel form V of tolbutamide and a high Z′ crystal structure of form III","CrystEngComm","2011","13","1","47","","10.1039/c0ce00073f","","","0.71073","MoKα","","0.1165","0.0784","","","0.2086","0.2362","","","","","","1.062","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205118","9.577","0.0009","11.5117","0.0011","12.398","0.0019","99.681","0.001","100.128","0.001","114.146","0.001","1183.2","0.2","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H16 Ce Cu N2 O11 S2 -","- C22 H16 Ce Cu N2 O11 S2 -","- C44 H32 Ce2 Cu2 N4 O22 S4 -","2","1","","Liu, Wenjing; Li, Zhaoyang; Wang, Ning; Li, Xiaoxu; Wei, Zhiqiang; Yue, Shantang; Liu, Yingliang","A new family of 3D heterometallic 3d‒4f organodisulfonate complexes based on the linkages of 2D [Ln(nds)(H2O)]+ layers and [Cu(ina)2]− chains","CrystEngComm","2011","13","1","138","","10.1039/c0ce00077a","","","0.71073","MoKα","","0.0267","0.0237","","","0.0532","0.0551","","","","","","1.027","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205119","9.4926","0.0014","11.3728","0.0017","12.345","0.003","99.253","0.002","100.231","0.002","114.064","0.001","1156.5","0.4","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H16 Cu Dy N2 O11 S2 -","- C22 H16 Cu Dy N2 O11 S2 -","- C44 H32 Cu2 Dy2 N4 O22 S4 -","2","1","","Liu, Wenjing; Li, Zhaoyang; Wang, Ning; Li, Xiaoxu; Wei, Zhiqiang; Yue, Shantang; Liu, Yingliang","A new family of 3D heterometallic 3d‒4f organodisulfonate complexes based on the linkages of 2D [Ln(nds)(H2O)]+ layers and [Cu(ina)2]− chains","CrystEngComm","2011","13","1","138","","10.1039/c0ce00077a","","","0.71073","MoKα","","0.0209","0.0196","","","0.0476","0.0482","","","","","","1.073","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205120","9.5144","0.0006","11.4162","0.0007","12.369","0.0012","99.415","0.001","100.2","0.001","114.01","0.001","1165.63","0.15","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H16 Cu Eu N2 O11 S2 -","- C22 H16 Cu Eu N2 O11 S2 -","- C44 H32 Cu2 Eu2 N4 O22 S4 -","2","1","","Liu, Wenjing; Li, Zhaoyang; Wang, Ning; Li, Xiaoxu; Wei, Zhiqiang; Yue, Shantang; Liu, Yingliang","A new family of 3D heterometallic 3d‒4f organodisulfonate complexes based on the linkages of 2D [Ln(nds)(H2O)]+ layers and [Cu(ina)2]− chains","CrystEngComm","2011","13","1","138","","10.1039/c0ce00077a","","","0.71073","MoKα","","0.0271","0.0248","","","0.0563","0.0577","","","","","","1.039","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205121","9.4878","0.001","11.3999","0.0012","12.373","0.002","99.388","0.001","100.155","0.001","113.963","0.001","1162","0.3","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H16 Cu Gd N2 O11 S2 -","- C22 H16 Cu Gd N2 O11 S2 -","- C44 H32 Cu2 Gd2 N4 O22 S4 -","2","1","","Liu, Wenjing; Li, Zhaoyang; Wang, Ning; Li, Xiaoxu; Wei, Zhiqiang; Yue, Shantang; Liu, Yingliang","A new family of 3D heterometallic 3d‒4f organodisulfonate complexes based on the linkages of 2D [Ln(nds)(H2O)]+ layers and [Cu(ina)2]− chains","CrystEngComm","2011","13","1","138","","10.1039/c0ce00077a","","","0.71073","MoKα","","0.024","0.0215","","","0.0481","0.0492","","","","","","1.029","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205122","9.5121","0.0005","11.4333","0.0006","12.3811","0.001","99.46","0.001","100.168","0.001","114.012","0.001","1168.14","0.13","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H16 Cu N2 O11 S2 Sm -","- C22 H16 Cu N2 O11 S2 Sm -","- C44 H32 Cu2 N4 O22 S4 Sm2 -","2","1","","Liu, Wenjing; Li, Zhaoyang; Wang, Ning; Li, Xiaoxu; Wei, Zhiqiang; Yue, Shantang; Liu, Yingliang","A new family of 3D heterometallic 3d‒4f organodisulfonate complexes based on the linkages of 2D [Ln(nds)(H2O)]+ layers and [Cu(ina)2]− chains","CrystEngComm","2011","13","1","138","","10.1039/c0ce00077a","","","0.71073","MoKα","","0.0266","0.024","","","0.0536","0.0552","","","","","","1.047","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205123","9.4951","0.0006","11.3913","0.0007","12.3599","0.0013","99.294","0.001","100.211","0.001","113.999","0.001","1160.67","0.16","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H16 Cu N2 O11 S2 Tb -","- C22 H16 Cu N2 O11 S2 Tb -","- C44 H32 Cu2 N4 O22 S4 Tb2 -","2","1","","Liu, Wenjing; Li, Zhaoyang; Wang, Ning; Li, Xiaoxu; Wei, Zhiqiang; Yue, Shantang; Liu, Yingliang","A new family of 3D heterometallic 3d‒4f organodisulfonate complexes based on the linkages of 2D [Ln(nds)(H2O)]+ layers and [Cu(ina)2]− chains","CrystEngComm","2011","13","1","138","","10.1039/c0ce00077a","","","0.71073","MoKα","","0.0275","0.0256","","","0.0649","0.0659","","","","","","1.057","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205124","9.528","0.002","11.338","0.003","12.282","0.005","99.109","0.003","100.275","0.003","114.053","0.002","1152.1","0.6","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H16 Cu Er N2 O11 S2 -","- C22 H16 Cu Er N2 O11 S2 -","- C44 H32 Cu2 Er2 N4 O22 S4 -","2","1","","Liu, Wenjing; Li, Zhaoyang; Wang, Ning; Li, Xiaoxu; Wei, Zhiqiang; Yue, Shantang; Liu, Yingliang","A new family of 3D heterometallic 3d‒4f organodisulfonate complexes based on the linkages of 2D [Ln(nds)(H2O)]+ layers and [Cu(ina)2]− chains","CrystEngComm","2011","13","1","138","","10.1039/c0ce00077a","","","0.71073","MoKα","","0.0217","0.0201","","","0.0479","0.0487","","","","","","1.029","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205125","14.8496","0.001","14.8496","0.001","9.3759","0.0014","90","","90","","120","","1790.5","0.3","293","2","293","2","","","","","","","","6","P -3","-P 3","147","","","","- C60 H78 Cl2 Co7 N6 O26 -","- C60 H78 Cl2 Co7 N6 O26 -","- C60 H78 Cl2 Co7 N6 O26 -","1","0.166667","","Wei, Lian-Qiang; Li, Bing-Wen; Hu, Sheng; Zeng, Ming-Hua","Controlled assemblies of hepta- and trideca-CoII clusters by a rational derivation of salicylalde schiff bases: microwave-assisted synthesis, crystal structures, ESI-MS solution analysis and magnetic properties","CrystEngComm","2011","13","2","510","","10.1039/c0ce00085j","","","0.71073","MoKα","","0.0726","0.0473","","","0.1421","0.1834","","","","","","1.006","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205126","12.915","0.003","17.707","0.004","33.205","0.007","97.718","0.004","100.731","0.004","99.178","0.004","7259","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C126 H131 Cl4 Co13 N14 O58.5 -","- C126 H131 Cl4 Co13 N14 O58.5 -","- C252 H262 Cl8 Co26 N28 O117 -","2","1","","Wei, Lian-Qiang; Li, Bing-Wen; Hu, Sheng; Zeng, Ming-Hua","Controlled assemblies of hepta- and trideca-CoII clusters by a rational derivation of salicylalde schiff bases: microwave-assisted synthesis, crystal structures, ESI-MS solution analysis and magnetic properties","CrystEngComm","2011","13","2","510","","10.1039/c0ce00085j","","","0.71073","MoKα","","0.2192","0.0973","","","0.1951","0.2569","","","","","","1.021","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7205127","10.265","0.0006","20.1499","0.001","35.2161","0.0019","90","","92.726","0.005","90","","7275.8","0.7","293","2","293","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C53 H40 Fe N O13 S32 -","- C53 H40 Fe N O13 S32 -","- C212 H160 Fe4 N4 O52 S128 -","4","0.5","","Prokhorova, T. G.; Buravov, L. I.; Yagubskii, E. B.; Zorina, L. V.; Khasanov, S. S.; Simonov, S. V.; Shibaeva, R. P.; Korobenko, A. V.; Zverev, V. N.","Effect of electrocrystallization medium on quality, structural features, and conducting properties of single crystals of the (BEDT-TTF)4AI[FeIII(C2O4)3]·G family","CrystEngComm","2011","13","2","537","","10.1039/c0ce00095g","","","0.71073","MoKα","","0.0755","0.0411","","","0.0972","0.1068","","","","","","1.012","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205128","10.2615","0.0005","20.1539","0.0008","35.1975","0.0014","90","","92.633","0.004","90","","7271.5","0.5","293","2","293","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C53 H40 Fe N O13 S32 -","- C53 H40 Fe N O13 S32 -","- C212 H160 Fe4 N4 O52 S128 -","4","0.5","","Prokhorova, T. G.; Buravov, L. I.; Yagubskii, E. B.; Zorina, L. V.; Khasanov, S. S.; Simonov, S. V.; Shibaeva, R. P.; Korobenko, A. V.; Zverev, V. N.","Effect of electrocrystallization medium on quality, structural features, and conducting properties of single crystals of the (BEDT-TTF)4AI[FeIII(C2O4)3]·G family","CrystEngComm","2011","13","2","537","","10.1039/c0ce00095g","","","0.71073","MoKα","","0.0602","0.0409","","","0.1096","0.1186","","","","","","1.002","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205129","10.2854","0.0004","20.0124","0.001","35.3666","0.0015","90","","93.093","0.004","90","","7269.1","0.6","293","2","293","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H40 Cl Fe O13 S32 -","- C52 H40 Cl Fe O13 S32 -","- C208 H160 Cl4 Fe4 O52 S128 -","4","0.5","","Prokhorova, T. G.; Buravov, L. I.; Yagubskii, E. B.; Zorina, L. V.; Khasanov, S. S.; Simonov, S. V.; Shibaeva, R. P.; Korobenko, A. V.; Zverev, V. N.","Effect of electrocrystallization medium on quality, structural features, and conducting properties of single crystals of the (BEDT-TTF)4AI[FeIII(C2O4)3]·G family","CrystEngComm","2011","13","2","537","","10.1039/c0ce00095g","","","0.71073","MoKα","","0.0501","0.0378","","","0.091","0.0959","","","","","","1.006","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205130","10.3011","0.0005","20.028","0.001","35.249","0.002","90","","92.567","0.005","90","","7264.9","0.7","293","2","293","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H40 F Fe O13 S32 -","- C52 H40 F Fe O13 S32 -","- C208 H160 F4 Fe4 O52 S128 -","4","0.5","","Prokhorova, T. G.; Buravov, L. I.; Yagubskii, E. B.; Zorina, L. V.; Khasanov, S. S.; Simonov, S. V.; Shibaeva, R. P.; Korobenko, A. V.; Zverev, V. N.","Effect of electrocrystallization medium on quality, structural features, and conducting properties of single crystals of the (BEDT-TTF)4AI[FeIII(C2O4)3]·G family","CrystEngComm","2011","13","2","537","","10.1039/c0ce00095g","","","0.71073","MoKα","","0.0788","0.0438","","","0.1033","0.1116","","","","","","1.017","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205131","10.2794","0.0006","20.019","0.001","35.255","0.002","90","","92.496","0.005","90","","7248","0.7","293","2","293","2","","","","","","","synthesis as described","7","C 1 2/c 1","-C 2yc","15","","","","- C52.4 H40 F0.6 Fe N0.4 O13 S32 -","- C52.4 H40 F0.6 Fe N0.4 O13 S32 -","- C209.6 H160 F2.4 Fe4 N1.6 O52 S128 -","4","0.5","","Prokhorova, T. G.; Buravov, L. I.; Yagubskii, E. B.; Zorina, L. V.; Khasanov, S. S.; Simonov, S. V.; Shibaeva, R. P.; Korobenko, A. V.; Zverev, V. N.","Effect of electrocrystallization medium on quality, structural features, and conducting properties of single crystals of the (BEDT-TTF)4AI[FeIII(C2O4)3]·G family","CrystEngComm","2011","13","2","537","","10.1039/c0ce00095g","","","0.71073","MoKα","","0.0598","0.0431","","","0.1077","0.1139","","","","","","1.008","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7205132","10.2877","0.0007","20.1034","0.0015","35.198","0.003","90","","92.821","0.008","90","","7270.7","1","293","2","293","2","","","","","","","synthesis as described","7","C 1 2/c 1","-C 2yc","15","","","","- C52.86 H39.86 Cl0.28 Fe N0.86 O13 S32 -","- C52.858 H39.8584 Cl0.2792 Fe N0.8604 O13 S32 -","- C211.432 H159.434 Cl1.1168 Fe4 N3.4416 O52 S128 -","4","0.5","","Prokhorova, T. G.; Buravov, L. I.; Yagubskii, E. B.; Zorina, L. V.; Khasanov, S. S.; Simonov, S. V.; Shibaeva, R. P.; Korobenko, A. V.; Zverev, V. N.","Effect of electrocrystallization medium on quality, structural features, and conducting properties of single crystals of the (BEDT-TTF)4AI[FeIII(C2O4)3]·G family","CrystEngComm","2011","13","2","537","","10.1039/c0ce00095g","","","0.71073","MoKα","","0.0704","0.0461","","","0.1214","0.1304","","","","","","1.035","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205133","10.4247","0.0007","19.6843","0.0017","36.096","0.003","90","","90","","90","","7407","1","293","2","293","2","","","","","","","synthesis as described","7","P b c n","-P 2n 2ab","60","","","","- C52.88 H39.88 Cl0.24 Fe N0.88 O13 S32 -","- C52.878 H39.8776 Cl0.2448 Fe N0.8776 O13 S32 -","- C211.512 H159.51 Cl0.9792 Fe4 N3.5104 O52 S128 -","4","0.5","","Prokhorova, T. G.; Buravov, L. I.; Yagubskii, E. B.; Zorina, L. V.; Khasanov, S. S.; Simonov, S. V.; Shibaeva, R. P.; Korobenko, A. V.; Zverev, V. N.","Effect of electrocrystallization medium on quality, structural features, and conducting properties of single crystals of the (BEDT-TTF)4AI[FeIII(C2O4)3]·G family","CrystEngComm","2011","13","2","537","","10.1039/c0ce00095g","","","0.71073","MoKα","","0.1355","0.0522","","","0.1034","0.1156","","","","","","1.009","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205134","10.2763","0.0006","20.067","0.001","35.369","0.002","90","","92.915","0.006","90","","7284.2","0.7","293","2","293","2","","","","","","","synthesis as described","7","C 1 2/c 1","-C 2yc","15","","","","- C52.35 H40 Cl0.65 Fe N0.35 O13 S32 -","- C52.348 H40 Cl0.652 Fe N0.348 O13 S32 -","- C209.392 H160 Cl2.608 Fe4 N1.392 O52 S128 -","4","0.5","","Prokhorova, T. G.; Buravov, L. I.; Yagubskii, E. B.; Zorina, L. V.; Khasanov, S. S.; Simonov, S. V.; Shibaeva, R. P.; Korobenko, A. V.; Zverev, V. N.","Effect of electrocrystallization medium on quality, structural features, and conducting properties of single crystals of the (BEDT-TTF)4AI[FeIII(C2O4)3]·G family","CrystEngComm","2011","13","2","537","","10.1039/c0ce00095g","","","0.71073","MoKα","","0.054","0.039","","","0.0954","0.1008","","","","","","1.009","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205135","10.2589","0.0006","20.068","0.001","35.45","0.002","90","","93.174","0.005","90","","7287.1","0.7","293","2","293","2","","","","","","","synthesis as described","7","C 1 2/c 1","-C 2yc","15","","","","- C52.17 H40 Br0.83 Fe N0.17 O13 S32 -","- C52.174 H40 Br0.826 Fe N0.174 O13 S32 -","- C208.696 H160 Br3.304 Fe4 N0.696 O52 S128 -","4","0.5","","Prokhorova, T. G.; Buravov, L. I.; Yagubskii, E. B.; Zorina, L. V.; Khasanov, S. S.; Simonov, S. V.; Shibaeva, R. P.; Korobenko, A. V.; Zverev, V. N.","Effect of electrocrystallization medium on quality, structural features, and conducting properties of single crystals of the (BEDT-TTF)4AI[FeIII(C2O4)3]·G family","CrystEngComm","2011","13","2","537","","10.1039/c0ce00095g","","","0.71073","MoKα","","0.0789","0.051","","","0.1317","0.1415","","","","","","1.017","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205136","15.159","0.003","18.821","0.003","19.798","0.003","90","","92.382","0.003","90","","5643.6","1.7","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C66 H42 Cd3 N6 O16 -","- C66 H42 Cd3 N6 O16 -","- C264 H168 Cd12 N24 O64 -","4","0.5","","Wang, Hailong; Wang, Kang; Sun, Daofeng; Ni, Zhong-Hai; Jiang, Jianzhuang","Synthesis, crystal structures, and luminescent properties of Cd(ii) coordination polymers assembled from asymmetric semi-rigid V-shaped multicarboxylate ligands","CrystEngComm","2011","13","1","279","","10.1039/c0ce00098a","","","0.71073","MoKα","","0.0609","0.0521","","","0.1383","0.1435","","","","","","1.064","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205137","9.526","0.0005","15.031","0.0008","22.02","0.0011","70.544","0.001","78.347","0.001","84.906","0.001","2910.8","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H48 Cd3 N6 O19 -","- C60 H48 Cd3 N6 O19 -","- C120 H96 Cd6 N12 O38 -","2","1","","Wang, Hailong; Wang, Kang; Sun, Daofeng; Ni, Zhong-Hai; Jiang, Jianzhuang","Synthesis, crystal structures, and luminescent properties of Cd(ii) coordination polymers assembled from asymmetric semi-rigid V-shaped multicarboxylate ligands","CrystEngComm","2011","13","1","279","","10.1039/c0ce00098a","","","0.71069","MoKα","","0.0547","0.0419","","","0.1143","0.1211","","","","","","1.054","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205138","20.838","0.0015","10.485","0.002","22.58","0.001","90","","102.968","0.001","90","","4807.6","1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H38 Cd3 N4 O18 -","- C50 H38 Cd3 N4 O18 -","- C200 H152 Cd12 N16 O72 -","4","0.5","","Wang, Hailong; Wang, Kang; Sun, Daofeng; Ni, Zhong-Hai; Jiang, Jianzhuang","Synthesis, crystal structures, and luminescent properties of Cd(ii) coordination polymers assembled from asymmetric semi-rigid V-shaped multicarboxylate ligands","CrystEngComm","2011","13","1","279","","10.1039/c0ce00098a","","","0.71069","MoKα","","0.0264","0.0234","","","0.0619","0.0635","","","","","","1.046","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205139","11.6201","0.0005","11.9085","0.0005","18.7329","0.0008","84.387","0.001","86.887","0.001","66.265","0.001","2361.27","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H30 Cd3 N4 O14 -","- C54 H30 Cd3 N4 O14 -","- C108 H60 Cd6 N8 O28 -","2","1","","Wang, Hailong; Wang, Kang; Sun, Daofeng; Ni, Zhong-Hai; Jiang, Jianzhuang","Synthesis, crystal structures, and luminescent properties of Cd(ii) coordination polymers assembled from asymmetric semi-rigid V-shaped multicarboxylate ligands","CrystEngComm","2011","13","1","279","","10.1039/c0ce00098a","","","0.71073","MoKα","","0.038","0.0305","","","0.0962","0.112","","","","","","1.134","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205140","11.2","0.0009","11.5369","0.0009","18.3362","0.0014","88.221","0.001","81.475","0.001","70.83","0.001","2212.8","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H30 Cd3 N4 O14 -","- C50 H30 Cd3 N4 O14 -","- C100 H60 Cd6 N8 O28 -","2","1","","Wang, Hailong; Wang, Kang; Sun, Daofeng; Ni, Zhong-Hai; Jiang, Jianzhuang","Synthesis, crystal structures, and luminescent properties of Cd(ii) coordination polymers assembled from asymmetric semi-rigid V-shaped multicarboxylate ligands","CrystEngComm","2011","13","1","279","","10.1039/c0ce00098a","","","0.71073","MoKα","","0.03","0.0246","","","0.0607","0.0629","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205141","14.0039","0.0005","28.8677","0.0011","13.6293","0.0005","90","","118.546","0.001","90","","4840","0.3","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C54 H36 Cd3 N4 O17 -","- C54 H36 Cd3 N4 O17 -","- C216 H144 Cd12 N16 O68 -","4","1","","Wang, Hailong; Wang, Kang; Sun, Daofeng; Ni, Zhong-Hai; Jiang, Jianzhuang","Synthesis, crystal structures, and luminescent properties of Cd(ii) coordination polymers assembled from asymmetric semi-rigid V-shaped multicarboxylate ligands","CrystEngComm","2011","13","1","279","","10.1039/c0ce00098a","","","0.71073","MoKα","","0.0184","0.0172","","","0.0462","0.0555","","","","","","1.15","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205142","13.511","0.003","14.864","0.003","17.527","0.003","66.948","0.002","86.831","0.002","67.297","0.003","2968.8","1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H47 Cd3 N6 O19 -","- C66 H47 Cd3 N6 O19 -","- C132 H94 Cd6 N12 O38 -","2","1","","Wang, Hailong; Wang, Kang; Sun, Daofeng; Ni, Zhong-Hai; Jiang, Jianzhuang","Synthesis, crystal structures, and luminescent properties of Cd(ii) coordination polymers assembled from asymmetric semi-rigid V-shaped multicarboxylate ligands","CrystEngComm","2011","13","1","279","","10.1039/c0ce00098a","","","0.71069","MoKα","","0.0626","0.0439","","","0.1175","0.1296","","","","","","1.106","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205143","12.475","0.002","19.304","0.003","46.775","0.005","90","","94.83","0.03","90","","11224","3","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C54 H82 O10 -","- C54 H78 O10 -","- C432 H624 O80 -","8","2","","Gaeta, Carmine; Troisi, Francesco; Spagna, Riccardo; Camalli, Mercedes; Campi, Gaetano; Neri, Placido","Solid-state assembly of calixcyclitol derivatives","CrystEngComm","2011","13","2","467","","10.1039/c0ce00099j","","","1.54178","CuKα","","0.085","0.085","","0.139","0.139","","","","0.952","0.952","0.952","","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205144","17.706","0.003","12.622","0.002","21.853","0.004","90","","91.43","0.02","90","","4882.3","1.4","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H70 Cl3 N O10 -","- C47 H61 Cl3 N O10 -","- C188 H244 Cl12 N4 O40 -","4","1","","Gaeta, Carmine; Troisi, Francesco; Spagna, Riccardo; Camalli, Mercedes; Campi, Gaetano; Neri, Placido","Solid-state assembly of calixcyclitol derivatives","CrystEngComm","2011","13","2","467","","10.1039/c0ce00099j","","","1.54178","CuKα","","0.163","0.099","","0.274","0.154","0.154","","","0.96","0.935","0.935","0.935","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205145","16.868","0.003","12.789","0.003","20.295","0.004","90","","102.33","0.02","90","","4277.1","1.5","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C44 H66 O10 -","- C44 H57 O10 -","- C176 H228 O40 -","4","1","","Gaeta, Carmine; Troisi, Francesco; Spagna, Riccardo; Camalli, Mercedes; Campi, Gaetano; Neri, Placido","Solid-state assembly of calixcyclitol derivatives","CrystEngComm","2011","13","2","467","","10.1039/c0ce00099j","","","1.54178","CuKα","","0.164","0.078","","0.168","0.103","0.103","","","0.86","0.953","0.953","0.953","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205146","7.4649","0.0016","11.9022","0.0018","14.8739","0.0011","95.276","0.002","91.966","0.002","107.856","0.003","1249.8","0.3","93","2","93","2","","","","","","","","4","P 1","P 1","1","","","","- C12 H17 N O6 -","- C12 H17 N O6 -","- C48 H68 N4 O24 -","4","4","","Wu, De-Hong; Ge, Jia-Zhen; Cai, Hong-Lin; Zhang, Wen; Xiong, Ren-Gen","Organic salt of hydrogen l-tartaric acid: a novel wide-temperature-range ferroelectrics with a reversible phase transition","CrystEngComm","2011","13","1","319","","10.1039/c0ce00109k","","","0.71073","MoKα","","0.045","0.0362","","","0.0725","0.0759","","","","","","1.081","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205147","7.4606","0.0012","11.9298","0.0018","14.8726","0.0009","95.338","0.002","91.95","0.001","107.916","0.001","1251.3","0.3","123","2","123","2","","","","","","","","4","P 1","P 1","1","","","","- C12 H17 N O6 -","- C12 H17 N O6 -","- C48 H68 N4 O24 -","4","4","","Wu, De-Hong; Ge, Jia-Zhen; Cai, Hong-Lin; Zhang, Wen; Xiong, Ren-Gen","Organic salt of hydrogen l-tartaric acid: a novel wide-temperature-range ferroelectrics with a reversible phase transition","CrystEngComm","2011","13","1","319","","10.1039/c0ce00109k","","","0.71073","MoKα","","0.0495","0.0386","","","0.0867","0.0929","","","","","","1.001","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205148","6.0782","0.0012","7.4777","0.0015","14.9506","0.001","87.655","0.01","82.692","0.01","71.802","0.001","640.29","0.19","298","2","298","2","","","","","","","","4","P 1","P 1","1","","","","- C12 H17 N O6 -","- C12 H17 N O6 -","- C24 H34 N2 O12 -","2","2","","Wu, De-Hong; Ge, Jia-Zhen; Cai, Hong-Lin; Zhang, Wen; Xiong, Ren-Gen","Organic salt of hydrogen l-tartaric acid: a novel wide-temperature-range ferroelectrics with a reversible phase transition","CrystEngComm","2011","13","1","319","","10.1039/c0ce00109k","","","0.71073","MoKα","","0.044","0.0411","","","0.1009","0.1029","","","","","","1.058","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205149","6.1181","0.0017","7.498","0.001","15.0901","0.0014","87.224","0.002","82.128","0.002","71.99","0.001","652.1","0.2","373","2","373","2","","","","","","","","4","P 1","P 1","1","","","","- C12 H17 N O6 -","- C12 H17 N O6 -","- C24 H34 N2 O12 -","2","2","","Wu, De-Hong; Ge, Jia-Zhen; Cai, Hong-Lin; Zhang, Wen; Xiong, Ren-Gen","Organic salt of hydrogen l-tartaric acid: a novel wide-temperature-range ferroelectrics with a reversible phase transition","CrystEngComm","2011","13","1","319","","10.1039/c0ce00109k","","","0.71073","MoKα","","0.0605","0.0452","","","0.0945","0.1013","","","","","","1.035","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205150","7.9639","0.0005","24.3259","0.0016","16.0648","0.001","90","","90.412","0.002","90","","3112.1","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H22 N4 Ni2 O11 -","- C34 H22 N4 Ni2 O11 -","- C136 H88 N16 Ni8 O44 -","4","1","","Wang, Chih-Chieh; Liu, Fang-Chen; Chiu, Chih-Kai; Song, You; Wang, Shih-Chi; Wang, Yu; Lee, Gene-Hsiang; Sheu, Hwo-Shuenn; Yang, En-Che","Synthesis, structural characterization and magnetic behavior of a 2D bi-layer MOF, {[Ni2(C5O5)2(bpe)2]·H2O}n (bpe = 1,2-bis(4-pyridyl)ethylene)","CrystEngComm","2011","13","1","118","","10.1039/c0ce00111b","","","0.71073","MoKα","","0.0942","0.0651","","","0.1223","0.1325","","","","","","1.116","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205151","17.725","0.0005","17.725","0.0005","63.211","0.003","90","","90","","120","","17198.7","1.1","173","2","173","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C42 H66 Cu3 N6 O6 P3 S6 -","- C42 H66 Cu3 N6 O6 P3 S6 -","- C504 H792 Cu36 N72 O72 P36 S72 -","12","0.666667","","Safin, Damir A.; Babashkina, Maria G.; Bolte, Michael; Klein, Axel","Versatile structures and photophysical properties of poly- and mononuclear CuI complexes with N-thiophosphorylated thioureas RNHC(S)NHP(S)(OiPr)2 and phosphanes","CrystEngComm","2011","13","2","568","","10.1039/c0ce00125b","","","0.71073","MoKα","","0.0653","0.0351","","","0.0808","0.0879","","","","","","0.856","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205152","10.4051","0.0008","12.919","0.0012","16.2445","0.0015","80.986","0.007","76.688","0.007","79.581","0.007","2074.8","0.3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C42 H46 Cu Fe N2 O2 P3 S2 -","- C42 H46 Cu Fe N2 O2 P3 S2 -","- C84 H92 Cu2 Fe2 N4 O4 P6 S4 -","2","1","","Safin, Damir A.; Babashkina, Maria G.; Bolte, Michael; Klein, Axel","Versatile structures and photophysical properties of poly- and mononuclear CuI complexes with N-thiophosphorylated thioureas RNHC(S)NHP(S)(OiPr)2 and phosphanes","CrystEngComm","2011","13","2","568","","10.1039/c0ce00125b","","","0.71073","MoKα","","0.1292","0.0999","","","0.2523","0.2705","","","","","","1.014","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205153","13.7676","0.0007","13.8533","0.0008","16.8992","0.0008","67.726","0.004","66.131","0.004","63.955","0.004","2567.4","0.3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C103 H110 Cl6 Cu2 N4 O4 P6 S4 -","- C103 H110 Cl6 Cu2 N4 O4 P6 S4 -","- C103 H110 Cl6 Cu2 N4 O4 P6 S4 -","1","0.5","","Safin, Damir A.; Babashkina, Maria G.; Bolte, Michael; Klein, Axel","Versatile structures and photophysical properties of poly- and mononuclear CuI complexes with N-thiophosphorylated thioureas RNHC(S)NHP(S)(OiPr)2 and phosphanes","CrystEngComm","2011","13","2","568","","10.1039/c0ce00125b","","","0.71073","MoKα","","0.0755","0.0581","","","0.1652","0.1776","","","","","","0.828","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205154","26.9217","0.0006","26.9217","0.0006","10.281","0.0002","90","","90","","90","","7451.4","0.3","173","2","173","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C52 H84 Cu4 N12 O8 P4 S8 -","- C52 H84 Cu4 N12 O8 P4 S8 -","- C208 H336 Cu16 N48 O32 P16 S32 -","4","0.25","","Safin, Damir A.; Babashkina, Maria G.; Bolte, Michael; Klein, Axel","Versatile structures and photophysical properties of poly- and mononuclear CuI complexes with N-thiophosphorylated thioureas RNHC(S)NHP(S)(OiPr)2 and phosphanes","CrystEngComm","2011","13","2","568","","10.1039/c0ce00125b","","","0.71073","MoKα","","0.0402","0.0293","","","0.0625","0.0661","","","","","","1.089","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205155","10.511","0.0013","16.749","0.002","18.137","0.002","88.538","0.002","77.585","0.002","87.949","0.002","3115.8","0.6","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H84 O18 S4 -","- C56 H84 O18 S4 -","- C112 H168 O36 S8 -","2","1","","Li, Yan; Yang, Weiping; Chen, Yuanyin; Gong, Shuling","Pendant orientation and its influence on the formation of hydrogen-bonded thiacalixarene nanotubes","CrystEngComm","2011","13","1","259","","10.1039/c0ce00129e","","","0.71073","MoKα","","0.1092","0.0831","","","0.2157","0.233","","","","","","1.037","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205156","42.4396","0.0007","14.2832","0.0003","21.6031","0.0005","90","","117.638","0.004","90","","11601","0.6","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H64 Cl4 N4 O12 S4 -","- C52 H64 Cl4 N4 O12 S4 -","- C416 H512 Cl32 N32 O96 S32 -","8","1","","Li, Yan; Yang, Weiping; Chen, Yuanyin; Gong, Shuling","Pendant orientation and its influence on the formation of hydrogen-bonded thiacalixarene nanotubes","CrystEngComm","2011","13","1","259","","10.1039/c0ce00129e","","","0.71073","MoKα","","0.0811","0.0691","","","0.1764","0.1832","","","","","","1.015","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205157","24.564","0.0007","20.052","0.0005","10.7714","0.0003","90","","93.394","0.002","90","","5296.2","0.2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H60 N4 O12 S4 -","- C50 H60 N4 O12 S4 -","- C200 H240 N16 O48 S16 -","4","0.5","","Li, Yan; Yang, Weiping; Chen, Yuanyin; Gong, Shuling","Pendant orientation and its influence on the formation of hydrogen-bonded thiacalixarene nanotubes","CrystEngComm","2011","13","1","259","","10.1039/c0ce00129e","","","0.71073","MoKα","","0.1201","0.092","","","0.2161","0.2342","","","","","","1.102","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205158","14.9385","0.0005","25.0431","0.0008","15.9995","0.0005","90","","91.281","0.002","90","","5984","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C112 H146 N16 O27 S8 -","- C104 H130 N16 O25 S8 -","- C208 H260 N32 O50 S16 -","2","0.5","","Li, Yan; Yang, Weiping; Chen, Yuanyin; Gong, Shuling","Pendant orientation and its influence on the formation of hydrogen-bonded thiacalixarene nanotubes","CrystEngComm","2011","13","1","259","","10.1039/c0ce00129e","","","0.71073","MoKα","","0.0821","0.06","","","0.1389","0.1494","","","","","","0.981","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205159","20.3779","0.0012","20.3779","0.0012","76.563","0.009","90","","90","","120","","27534","4","298","2","298","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C52.84 H68.02 Cl1.34 N6 O13.17 S4 -","- C51 H62 N6 O12 S4 -","- C918 H1116 N108 O216 S72 -","18","1","","Li, Yan; Yang, Weiping; Chen, Yuanyin; Gong, Shuling","Pendant orientation and its influence on the formation of hydrogen-bonded thiacalixarene nanotubes","CrystEngComm","2011","13","1","259","","10.1039/c0ce00129e","","","0.71073","MoKα","","0.1431","0.0638","","","0.145","0.1634","","","","","","0.809","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7205160","14.8193","0.001","25.0193","0.0018","16.0602","0.0011","90","","91.255","0.001","90","","5953.2","0.7","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C55 H71 N8 O13.5 S4 -","- C55 H71 N8 O13.5 S4 -","- C220 H284 N32 O54 S16 -","4","1","","Li, Yan; Yang, Weiping; Chen, Yuanyin; Gong, Shuling","Pendant orientation and its influence on the formation of hydrogen-bonded thiacalixarene nanotubes","CrystEngComm","2011","13","1","259","","10.1039/c0ce00129e","","","0.71073","MoKα","","0.0891","0.0675","","","0.159","0.1722","","","","","","1.019","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205161","9.7099","0.0019","17.216","0.003","19.642","0.004","72.85","0.03","86.38","0.03","88.62","0.03","3131.2","1.2","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H71 Cu4 I4 N9 -","- C62 H71 Cu4 I4 N9 -","- C124 H142 Cu8 I8 N18 -","2","1","","Liu, Qing-Xiang; Chen, Ai-Hui; Zhao, Xiao-Jun; Zang, Yan; Wu, Xiu-Mei; Wang, Xiu-Guang; Guo, Jian-Hua","N-Heterocyclic carbene copper(i), mercury(ii) and silver(i) complexes containing durene linker: synthesis and structural studies","CrystEngComm","2011","13","1","293","","10.1039/c0ce00142b","","","0.71073","MoKα","","0.0921","0.0689","","","0.1383","0.1524","","","","","","1.077","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205162","14.0172","0.0018","16.221","0.002","18.554","0.002","89.714","0.002","69.778","0.002","72.194","0.002","3745","0.8","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C62 H73 Br6 Hg3 N8 O S -","- C62 H73 Br6 Hg3 N8 O S -","- C124 H146 Br12 Hg6 N16 O2 S2 -","2","1","","Liu, Qing-Xiang; Chen, Ai-Hui; Zhao, Xiao-Jun; Zang, Yan; Wu, Xiu-Mei; Wang, Xiu-Guang; Guo, Jian-Hua","N-Heterocyclic carbene copper(i), mercury(ii) and silver(i) complexes containing durene linker: synthesis and structural studies","CrystEngComm","2011","13","1","293","","10.1039/c0ce00142b","","","0.71073","MoKα","","0.0657","0.0412","","","0.1001","0.1063","","","","","","1.029","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205163","12.2129","0.0008","13.3117","0.0008","16.6923","0.001","71.161","0.001","75.701","0.001","62.988","0.001","2271.9","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H46 Hg3 I4 N6 -","- C38 H46 Hg3 I4 N6 -","- C76 H92 Hg6 I8 N12 -","2","1","","Liu, Qing-Xiang; Chen, Ai-Hui; Zhao, Xiao-Jun; Zang, Yan; Wu, Xiu-Mei; Wang, Xiu-Guang; Guo, Jian-Hua","N-Heterocyclic carbene copper(i), mercury(ii) and silver(i) complexes containing durene linker: synthesis and structural studies","CrystEngComm","2011","13","1","293","","10.1039/c0ce00142b","","","0.71073","MoKα","","0.0481","0.0383","","","0.0978","0.1043","","","","","","1.03","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205164","10.9505","0.0006","14.8255","0.0007","19.4605","0.0009","98.105","0.001","95.922","0.001","107.028","0.001","2955.6","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H42 Ag2 N6 -","- C60 H67 Ag4 N12 -","- C120 H134 Ag8 N24 -","2","1","","Liu, Qing-Xiang; Chen, Ai-Hui; Zhao, Xiao-Jun; Zang, Yan; Wu, Xiu-Mei; Wang, Xiu-Guang; Guo, Jian-Hua","N-Heterocyclic carbene copper(i), mercury(ii) and silver(i) complexes containing durene linker: synthesis and structural studies","CrystEngComm","2011","13","1","293","","10.1039/c0ce00142b","","","0.71073","MoKα","","0.0823","0.0488","","","0.1413","0.1698","","","","","","1.02","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205165","10.097","0.002","13.533","0.003","15.409","0.003","104.053","0.003","97.686","0.003","94.555","0.004","2010.4","0.7","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H42 Ag2 Br2 N6 O S -","- C40 H42 Ag2 Br2 N6 O S -","- C80 H84 Ag4 Br4 N12 O2 S2 -","2","1","","Liu, Qing-Xiang; Chen, Ai-Hui; Zhao, Xiao-Jun; Zang, Yan; Wu, Xiu-Mei; Wang, Xiu-Guang; Guo, Jian-Hua","N-Heterocyclic carbene copper(i), mercury(ii) and silver(i) complexes containing durene linker: synthesis and structural studies","CrystEngComm","2011","13","1","293","","10.1039/c0ce00142b","","","0.71073","MoKα","","0.0525","0.0357","","","0.0962","0.1072","","","","","","1.032","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205166","9.3684","0.0014","13.897","0.002","14.595","0.002","103.651","0.002","102.976","0.002","104.986","0.002","1699.1","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H35 Ag F6 N4 O0.5 P -","- C30 H34 Ag F6 N4 O0.5 P -","- C60 H68 Ag2 F12 N8 O P2 -","2","1","","Liu, Qing-Xiang; Chen, Ai-Hui; Zhao, Xiao-Jun; Zang, Yan; Wu, Xiu-Mei; Wang, Xiu-Guang; Guo, Jian-Hua","N-Heterocyclic carbene copper(i), mercury(ii) and silver(i) complexes containing durene linker: synthesis and structural studies","CrystEngComm","2011","13","1","293","","10.1039/c0ce00142b","","","0.71073","MoKα","","0.0543","0.0473","","","0.1486","0.1573","","","","","","1.071","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7205167","13.133","0.004","18.772","0.004","15.872","0.005","90","","104.706","0.005","90","","3784.8","1.8","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H43.88 Ag2 I0.1 N4 O1.88 -","- C34 H43.8828 Ag2 I0.1172 N4 O1.8828 -","- C136 H175.531 Ag8 I0.4688 N16 O7.5312 -","4","0.5","","Liu, Qing-Xiang; Chen, Ai-Hui; Zhao, Xiao-Jun; Zang, Yan; Wu, Xiu-Mei; Wang, Xiu-Guang; Guo, Jian-Hua","N-Heterocyclic carbene copper(i), mercury(ii) and silver(i) complexes containing durene linker: synthesis and structural studies","CrystEngComm","2011","13","1","293","","10.1039/c0ce00142b","","","0.71073","MoKα","","0.04","0.0352","","","0.1164","0.1192","","","","","","1.15","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205168","14.7807","0.0007","14.6784","0.0007","18.5397","0.0009","90","","111.032","0.001","90","","3754.4","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H41 Br2 N7 -","- C40 H41 Br2 N7 -","- C160 H164 Br8 N28 -","4","1","","Liu, Qing-Xiang; Chen, Ai-Hui; Zhao, Xiao-Jun; Zang, Yan; Wu, Xiu-Mei; Wang, Xiu-Guang; Guo, Jian-Hua","N-Heterocyclic carbene copper(i), mercury(ii) and silver(i) complexes containing durene linker: synthesis and structural studies","CrystEngComm","2011","13","1","293","","10.1039/c0ce00142b","","","0.71073","MoKα","","0.0675","0.0405","","","0.1205","0.1358","","","","","","1.032","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205169","8.885","0.0011","10.6269","0.0013","13.0417","0.0016","78.793","0.002","80.799","0.002","66.276","0.002","1101.3","0.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H52 Cl6 N4 O2 Pd2 S2 -","- C36 H52 Cl6 N4 O2 Pd2 S2 -","- C36 H52 Cl6 N4 O2 Pd2 S2 -","1","0.5","","Liu, Qing-Xiang; Chen, Ai-Hui; Zhao, Xiao-Jun; Zang, Yan; Wu, Xiu-Mei; Wang, Xiu-Guang; Guo, Jian-Hua","N-Heterocyclic carbene copper(i), mercury(ii) and silver(i) complexes containing durene linker: synthesis and structural studies","CrystEngComm","2011","13","1","293","","10.1039/c0ce00142b","","","0.71073","MoKα","","0.0637","0.0559","","","0.1756","0.1845","","","","","","1.061","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7205170","10.84","0.01","14.535","0.013","18.079","0.016","90","","90","","90","","2849","4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Tyr-Aib-Val","Tyr-Aib-Val","","- C24 H37 N3 O7 -","- C24 H37 N3 O7 -","- C96 H148 N12 O28 -","4","1","","Jana, Poulami; Maity, Sibaprasad; Haldar, Debasish","Insights into self-assembling nanoporous peptide and in situ reducing agent","CrystEngComm","2011","13","3","973","","10.1039/c0ce00143k","","","0.71073","MoKα","","0.1266","0.0504","","","0.0828","0.0919","","","","","","0.92","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205171","19.129","0.003","19.129","0.003","6.764","0.0014","90","","90","","90","","2475.1","0.8","293","2","293","2","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- C8 H11 Cu O7 -","- C8 H10 Cu O7 -","- C64 H80 Cu8 O56 -","8","0.5","","Zhong, Rui-Qin; Zou, Ru-Qiang; Xu, Qiang","Solvent-induced deviation in square-grid layers of microporous Cu(ii) isophthalates: layer stacking and gas adsorption properties","CrystEngComm","2011","13","2","577","","10.1039/c0ce00150c","","","0.71073","MoKα","","0.0461","0.0399","","","0.1241","0.1294","","","","","","1.15","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205172","19.146","0.003","19.146","0.003","6.7427","0.0013","90","","90","","90","","2471.7","0.7","293","2","293","2","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- C10 H9 Cu O5 -","- C10 H9 Cu O5 -","- C80 H72 Cu8 O40 -","8","0.5","","Zhong, Rui-Qin; Zou, Ru-Qiang; Xu, Qiang","Solvent-induced deviation in square-grid layers of microporous Cu(ii) isophthalates: layer stacking and gas adsorption properties","CrystEngComm","2011","13","2","577","","10.1039/c0ce00150c","","","0.71073","MoKα","","0.0994","0.0893","","","0.2586","0.2704","","","","","","1.12","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205173","18.052","0.0004","13.836","0.0003","19.114","0.0004","90","","90","","90","","4774.06","0.18","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H21 Cu2 N O10 -","- C21 H10 Cu2 N O10 -","- C168 H80 Cu16 N8 O80 -","8","1","","Zhong, Rui-Qin; Zou, Ru-Qiang; Xu, Qiang","Solvent-induced deviation in square-grid layers of microporous Cu(ii) isophthalates: layer stacking and gas adsorption properties","CrystEngComm","2011","13","2","577","","10.1039/c0ce00150c","","","0.71073","MoKα","","0.2341","0.1322","","","0.3095","0.3843","","","","","","1.021","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205174","28.339","0.006","25.097","0.005","15.483","0.003","90","","90","","90","","11012","4","293","2","293","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C23 H27 Cu2 N2 O11 -","- C23 H9 Cu2 N2 O11 -","- C368 H144 Cu32 N32 O176 -","16","","","Zhong, Rui-Qin; Zou, Ru-Qiang; Xu, Qiang","Solvent-induced deviation in square-grid layers of microporous Cu(ii) isophthalates: layer stacking and gas adsorption properties","CrystEngComm","2011","13","2","577","","10.1039/c0ce00150c","","","0.71073","MoKα","","0.1063","0.077","","","0.2313","0.2626","","","","","","1.076","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205175","17.781","0.004","28.331","0.006","10.766","0.002","90","","101.92","0.03","90","","5306","2","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C36 H35 Cu4 N2 O22.5 -","- C36 H26 Cu4 N2 O22.48 -","- C144 H104 Cu16 N8 O89.92 -","4","0.5","","Zhong, Rui-Qin; Zou, Ru-Qiang; Xu, Qiang","Solvent-induced deviation in square-grid layers of microporous Cu(ii) isophthalates: layer stacking and gas adsorption properties","CrystEngComm","2011","13","2","577","","10.1039/c0ce00150c","","","0.71073","MoKα","","0.0682","0.0522","","","0.1645","0.179","","","","","","1.072","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7205176","13.3706","0.0003","22.8263","0.0004","21.5225","0.0005","90","","108.81","0.003","90","","6217.9","0.3","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C60 H70 Cl2 Cu3 N6 O22 Zn -","- C60 H70 Cl2 Cu3 N6 O22 Zn -","- C240 H280 Cl8 Cu12 N24 O88 Zn4 -","4","0.5","","Nayak, Malabika; Sarkar, Sohini; Hazra, Susanta; Sparkes, Hazel A.; Howard, Judith A. K.; Mohanta, Sasankasekhar","Syntheses and crystal structures of dinuclear, trinuclear [2 ×1 + 1 ×1] and tetranuclear [2 ×1 + 1 ×2] copper(ii)‒d10 complexes (d10⇒ ZnII, CdII, HgII and AgI) derived from N,N′-ethylenebis(3-ethoxysalicylaldimine)","CrystEngComm","2011","13","1","124","","10.1039/c0ce00158a","","","0.71073","MoKα","","0.0844","0.0387","","","0.0712","0.0766","","","","","","0.859","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205177","27.3303","0.0008","14.4792","0.0002","20.0508","0.0006","90","","124.977","0.004","90","","6501.4","0.4","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C62 H73 Cd Cl2 Cu3 N7 O22 -","- C62 H73 Cd Cl2 Cu3 N7 O22 -","- C248 H292 Cd4 Cl8 Cu12 N28 O88 -","4","0.5","","Nayak, Malabika; Sarkar, Sohini; Hazra, Susanta; Sparkes, Hazel A.; Howard, Judith A. K.; Mohanta, Sasankasekhar","Syntheses and crystal structures of dinuclear, trinuclear [2 ×1 + 1 ×1] and tetranuclear [2 ×1 + 1 ×2] copper(ii)‒d10 complexes (d10⇒ ZnII, CdII, HgII and AgI) derived from N,N′-ethylenebis(3-ethoxysalicylaldimine)","CrystEngComm","2011","13","1","124","","10.1039/c0ce00158a","","","0.71073","MoKα","","0.0286","0.0222","","","0.059","0.06","","","","","","1.054","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205178","12.8064","0.0005","19.7143","0.0008","20.4235","0.0009","90","","90","","90","","5156.3","0.4","120","2","120","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C46 H54 Cl2 Cu2 Hg2 N4 O18 -","- C46 H54 Cl2 Cu2 Hg2 N4 O18 -","- C184 H216 Cl8 Cu8 Hg8 N16 O72 -","4","0.5","","Nayak, Malabika; Sarkar, Sohini; Hazra, Susanta; Sparkes, Hazel A.; Howard, Judith A. K.; Mohanta, Sasankasekhar","Syntheses and crystal structures of dinuclear, trinuclear [2 ×1 + 1 ×1] and tetranuclear [2 ×1 + 1 ×2] copper(ii)‒d10 complexes (d10⇒ ZnII, CdII, HgII and AgI) derived from N,N′-ethylenebis(3-ethoxysalicylaldimine)","CrystEngComm","2011","13","1","124","","10.1039/c0ce00158a","","","0.71073","MoKα","","0.0245","0.0191","","","0.0466","0.0493","","","","","","1.066","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205179","14.3298","0.0006","13.3337","0.0006","22.393","0.001","90","","104.045","0.001","90","","4150.7","0.3","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H46 Ag Cl Cu2 N4 O13 -","- C40 H46 Ag Cl Cu2 N4 O13 -","- C160 H184 Ag4 Cl4 Cu8 N16 O52 -","4","1","","Nayak, Malabika; Sarkar, Sohini; Hazra, Susanta; Sparkes, Hazel A.; Howard, Judith A. K.; Mohanta, Sasankasekhar","Syntheses and crystal structures of dinuclear, trinuclear [2 ×1 + 1 ×1] and tetranuclear [2 ×1 + 1 ×2] copper(ii)‒d10 complexes (d10⇒ ZnII, CdII, HgII and AgI) derived from N,N′-ethylenebis(3-ethoxysalicylaldimine)","CrystEngComm","2011","13","1","124","","10.1039/c0ce00158a","","","0.71073","MoKα","","0.0604","0.036","","","0.0718","0.0784","","","","","","1.021","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7205180","11.9829","0.0013","13.6251","0.0015","18.421","0.002","101.895","0.004","102.698","0.004","101.016","0.004","2781.6","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H46 Cl2 N12 Ni3 O9 -","- C57 H42 Cl2 N12 Ni3 O9 -","- C114 H84 Cl4 N24 Ni6 O18 -","2","1","","Zhang, Jing; Zhu, Long-Guan","Synthesis, structures, and properties of three coordination compounds based on trinickel clusters extended by phenyldicarboxylate ligands","CrystEngComm","2011","13","2","553","","10.1039/c0ce00166j","","","0.71073","MoKα","","0.0841","0.0515","","","0.1393","0.1686","","","","","","0.946","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205181","11.2011","0.0004","20.4224","0.0007","21.3284","0.0007","87.517","0.001","88.43","0.001","74.111","0.001","4687.5","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H78 N24 Ni6 O11 -","- C96 H72 N24 Ni6 O11 -","- C192 H144 N48 Ni12 O22 -","2","1","","Zhang, Jing; Zhu, Long-Guan","Synthesis, structures, and properties of three coordination compounds based on trinickel clusters extended by phenyldicarboxylate ligands","CrystEngComm","2011","13","2","553","","10.1039/c0ce00166j","","","0.71073","MoKα","","0.1192","0.0632","","","0.1495","0.188","","","","","","1.005","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205182","11.3122","0.0003","20.4198","0.0005","21.5152","0.0005","93.457","0.001","90.374","0.001","104.83","0.001","4794.3","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H76 N26 Ni6 O15 -","- C96 H70 N26 Ni6 O15 -","- C192 H140 N52 Ni12 O30 -","2","1","","Zhang, Jing; Zhu, Long-Guan","Synthesis, structures, and properties of three coordination compounds based on trinickel clusters extended by phenyldicarboxylate ligands","CrystEngComm","2011","13","2","553","","10.1039/c0ce00166j","","","0.71073","MoKα","","0.0677","0.0432","","","0.1211","0.1374","","","","","","1.003","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205183","8.1512","0.0007","15.0605","0.0013","14.8508","0.0012","90","","93.726","0.001","90","","1819.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N4 O4 Zn -","- C18 H18 N4 O4 Zn -","- C72 H72 N16 O16 Zn4 -","4","1","","Jiang, Kai; Ma, Lu-Fang; Sun, Xiao-Yuan; Wang, Li-Ya","Syntheses, structures and luminescent properties of zinc(ii) coordination polymers based on bis(imidazole) and dicarboxylate","CrystEngComm","2011","13","1","330","","10.1039/c0ce00190b","","","0.71073","MoKα","","0.0351","0.027","","","0.0676","0.0714","","","","","","1.025","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205184","9.4664","0.001","14.5654","0.0015","15.1276","0.0016","90","","102.247","0.001","90","","2038.4","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N4 O4 Zn -","- C20 H22 N4 O4 Zn -","- C80 H88 N16 O16 Zn4 -","4","1","","Jiang, Kai; Ma, Lu-Fang; Sun, Xiao-Yuan; Wang, Li-Ya","Syntheses, structures and luminescent properties of zinc(ii) coordination polymers based on bis(imidazole) and dicarboxylate","CrystEngComm","2011","13","1","330","","10.1039/c0ce00190b","","","0.71073","MoKα","","0.0508","0.033","","","0.0724","0.0804","","","","","","1.014","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205185","9.6105","0.001","15.2014","0.0016","14.461","0.0015","90","","90.645","0.001","90","","2112.5","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 N4 O4 Zn -","- C21 H24 N4 O4 Zn -","- C84 H96 N16 O16 Zn4 -","4","1","","Jiang, Kai; Ma, Lu-Fang; Sun, Xiao-Yuan; Wang, Li-Ya","Syntheses, structures and luminescent properties of zinc(ii) coordination polymers based on bis(imidazole) and dicarboxylate","CrystEngComm","2011","13","1","330","","10.1039/c0ce00190b","","","0.71073","MoKα","","0.0664","0.0434","","","0.1036","0.1156","","","","","","1.034","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205186","16.4763","0.0014","13.2934","0.0011","17.2155","0.0015","90","","90","","90","","3770.6","0.6","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H18 N4 O5 Zn -","- C18 H18 N4 O5 Zn -","- C144 H144 N32 O40 Zn8 -","8","1","","Jiang, Kai; Ma, Lu-Fang; Sun, Xiao-Yuan; Wang, Li-Ya","Syntheses, structures and luminescent properties of zinc(ii) coordination polymers based on bis(imidazole) and dicarboxylate","CrystEngComm","2011","13","1","330","","10.1039/c0ce00190b","","","0.71073","MoKα","","0.052","0.0336","","","0.076","0.0857","","","","","","1.025","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205187","9.7754","0.001","10.1743","0.0011","11.46","0.0012","94.87","0.001","100.693","0.001","105.202","0.001","1070.03","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H24 N4 O5 Zn -","- C21 H24 N4 O5 Zn -","- C42 H48 N8 O10 Zn2 -","2","1","","Jiang, Kai; Ma, Lu-Fang; Sun, Xiao-Yuan; Wang, Li-Ya","Syntheses, structures and luminescent properties of zinc(ii) coordination polymers based on bis(imidazole) and dicarboxylate","CrystEngComm","2011","13","1","330","","10.1039/c0ce00190b","","","0.71073","MoKα","","0.0366","0.03","","","0.0747","0.0791","","","","","","1.016","","","","has coordinates,has disorder","180382","2020-10-21","18:00:00",""
"7205188","19.0114","0.0011","4.9005","0.0004","31.062","0.002","90","","103.635","0.005","90","","2812.3","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","1,4-bis(2-(1-(2-amino-2-oxoethyl)-pyridinium-4-yl)vinyl)benzene dichloride","1,4-bis(2-[1-(2-amino-2-oxoethyl)-pyridinium-4-yl]vinyl)benzene dichloride","","- C24 H34 Cl2 N4 O7 -","- C24 H34 Cl2 N4 O7 -","- C96 H136 Cl8 N16 O28 -","4","0.5","","Gutov, Oleksii V.; Rusanov, Eduard B.; Kudryavtsev, Alexey A.; Garasevych, Sergey G.; Slobodyanyuk, Olexandr V.; Yashchuk, Valerii M.; Chernega, Alexander N.","Luminescence induced by strong cation‒anion π‒π interactions in crystals of viologen analogues","CrystEngComm","2011","13","5","1373","","10.1039/c0ce00191k","","","0.71073","MoKα","","0.1039","0.0538","","","0.1211","0.1467","","","","","","1.021","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205189","9.191","0.002","9.3575","0.0019","12.722","0.003","102.463","0.018","91.268","0.019","113.86","0.016","969.7","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","1,4-bis(2-(1-ethyl-pyridinium-4-yl)vinyl)benzene di-4- methylbenzenesulphonate tetrahydrate","1,4-bis(2-[1-ethyl-pyridinium-4-yl]vinyl)benzene di-4-methylbenzenesulphonate tetrahydrate","","- C38 H48 N2 O10 S2 -","- C38 H48 N2 O10 S2 -","- C38 H48 N2 O10 S2 -","1","0.5","","Gutov, Oleksii V.; Rusanov, Eduard B.; Kudryavtsev, Alexey A.; Garasevych, Sergey G.; Slobodyanyuk, Olexandr V.; Yashchuk, Valerii M.; Chernega, Alexander N.","Luminescence induced by strong cation‒anion π‒π interactions in crystals of viologen analogues","CrystEngComm","2011","13","5","1373","","10.1039/c0ce00191k","","","0.71073","MoKα","","0.1421","0.0653","","","0.1022","0.1227","","","","","","1.179","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205190","13.279","0.002","17.696","0.003","14.791","0.002","90","","101.907","0.004","90","","3400.9","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1,4-bis(2-(1-ethyl-pyridinium-4-yl)vinyl)benzene di-4- methylbenzenesulphonate","","","- C38 H40 N2 O6 S2 -","- C38 H40 N2 O6 S2 -","- C152 H160 N8 O24 S8 -","4","1","","Gutov, Oleksii V.; Rusanov, Eduard B.; Kudryavtsev, Alexey A.; Garasevych, Sergey G.; Slobodyanyuk, Olexandr V.; Yashchuk, Valerii M.; Chernega, Alexander N.","Luminescence induced by strong cation‒anion π‒π interactions in crystals of viologen analogues","CrystEngComm","2011","13","5","1373","","10.1039/c0ce00191k","","","0.71073","MoKα","","0.1158","0.0632","","","0.14","0.172","","","","","","1.03","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205191","10.9786","0.0003","12.2743","0.0004","14.0937","0.0004","88.107","0.002","87.121","0.002","63.853","0.002","1702.56","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","1,4-bis(2-(1-methyl-pyridinium-4-yl)vinyl)benzene di-4- methylbenzenesulphonate - methanol (2:1)","","","- C37 H40 N2 O7 S2 -","- C37 H40 N2 O7 S2 -","- C74 H80 N4 O14 S4 -","2","1","","Gutov, Oleksii V.; Rusanov, Eduard B.; Kudryavtsev, Alexey A.; Garasevych, Sergey G.; Slobodyanyuk, Olexandr V.; Yashchuk, Valerii M.; Chernega, Alexander N.","Luminescence induced by strong cation‒anion π‒π interactions in crystals of viologen analogues","CrystEngComm","2011","13","5","1373","","10.1039/c0ce00191k","","","0.71073","MoKα","","0.1066","0.0615","","","0.1568","0.1757","","","","","","0.899","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205192","8.9032","0.0011","18.99","0.002","9.9994","0.0011","90","","92.093","0.005","90","","1689.5","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1,4-bis(2-(1-methyl-pyridinium-4-yl)vinyl)benzene di-4- methylbenzenesulphonate dihydrate","","","- C36 H40 N2 O7 S2 -","- C36 H40 N2 O8 S2 -","- C72 H80 N4 O16 S4 -","2","0.5","","Gutov, Oleksii V.; Rusanov, Eduard B.; Kudryavtsev, Alexey A.; Garasevych, Sergey G.; Slobodyanyuk, Olexandr V.; Yashchuk, Valerii M.; Chernega, Alexander N.","Luminescence induced by strong cation‒anion π‒π interactions in crystals of viologen analogues","CrystEngComm","2011","13","5","1373","","10.1039/c0ce00191k","","","0.71073","MoKα","","0.0676","0.043","","","0.0958","0.1104","","","","","","0.979","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205193","10.806","0.002","12.627","0.003","13.592","0.003","90.359","0.009","93.936","0.008","114.693","0.007","1679.8","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","1,4-bis(2-(1-methyl-pyridinium-4-yl)vinyl)benzene di-4- methylbenzenesulphonate","","","- C36 H36 N2 O6 S2 -","- C36 H36 N2 O6 S2 -","- C72 H72 N4 O12 S4 -","2","1","","Gutov, Oleksii V.; Rusanov, Eduard B.; Kudryavtsev, Alexey A.; Garasevych, Sergey G.; Slobodyanyuk, Olexandr V.; Yashchuk, Valerii M.; Chernega, Alexander N.","Luminescence induced by strong cation‒anion π‒π interactions in crystals of viologen analogues","CrystEngComm","2011","13","5","1373","","10.1039/c0ce00191k","","","0.71073","MoKα","","0.1411","0.0598","","","0.1415","0.1765","","","","","","1.024","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205194","18.861","0.005","16.141","0.004","13.487","0.004","90","","90","","90","","4105.9","1.9","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C14 H24 Cu N6 O10 S -","- C14 H24 Cu N6 O10 S -","- C112 H192 Cu8 N48 O80 S8 -","8","1","","Hao, Yongjing; Wu, Biao; Li, Shaoguang; Jia, Chuandong; Huang, Xiaojuan; Yang, Xiao-Juan","Coordination polymers derived from a flexible bis(pyridylurea) ligand: conformational change of the ligand and structural diversity of the complexes","CrystEngComm","2011","13","1","215","","10.1039/c0ce00200c","","","0.71073","MoKα","","0.0986","0.0486","","","0.119","0.1405","","","","","","1.045","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205195","7.2549","0.0013","7.7629","0.0015","9.1054","0.0016","98.095","0.003","99.515","0.003","110.281","0.003","463.39","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H24 N6 O6 -","- C14 H24 N6 O6 -","- C14 H24 N6 O6 -","1","0.5","","Hao, Yongjing; Wu, Biao; Li, Shaoguang; Jia, Chuandong; Huang, Xiaojuan; Yang, Xiao-Juan","Coordination polymers derived from a flexible bis(pyridylurea) ligand: conformational change of the ligand and structural diversity of the complexes","CrystEngComm","2011","13","1","215","","10.1039/c0ce00200c","","","0.71073","MoKα","","0.0535","0.0477","","","0.1654","0.1729","","","","","","1.384","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205196","10.447","0.002","10.755","0.003","12.474","0.003","104.33","0.004","102.14","0.004","110.924","0.003","1197.3","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H28 N6 O8 Zn -","- C19 H28 N6 O8 Zn -","- C38 H56 N12 O16 Zn2 -","2","1","","Hao, Yongjing; Wu, Biao; Li, Shaoguang; Jia, Chuandong; Huang, Xiaojuan; Yang, Xiao-Juan","Coordination polymers derived from a flexible bis(pyridylurea) ligand: conformational change of the ligand and structural diversity of the complexes","CrystEngComm","2011","13","1","215","","10.1039/c0ce00200c","","","0.71073","MoKα","","0.0722","0.0462","","","0.0941","0.1042","","","","","","1.015","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205197","31.51","0.007","8.534","0.002","18.891","0.004","90","","122.1","0.002","90","","4303.3","1.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H46 Cd Cl2 N14 O6 -","- C34 H46 Cd Cl2 N14 O6 -","- C136 H184 Cd4 Cl8 N56 O24 -","4","0.5","","Hao, Yongjing; Wu, Biao; Li, Shaoguang; Jia, Chuandong; Huang, Xiaojuan; Yang, Xiao-Juan","Coordination polymers derived from a flexible bis(pyridylurea) ligand: conformational change of the ligand and structural diversity of the complexes","CrystEngComm","2011","13","1","215","","10.1039/c0ce00200c","","","0.71073","MoKα","","0.0313","0.0269","","","0.0693","0.0721","","","","","","1.062","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205198","30.671","0.012","7.551","0.003","24.101","0.01","90","","122.271","0.004","90","","4720","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H28 Cd N6 O12 S -","- C14 H28 Cd N6 O12 S -","- C112 H224 Cd8 N48 O96 S8 -","8","1","","Hao, Yongjing; Wu, Biao; Li, Shaoguang; Jia, Chuandong; Huang, Xiaojuan; Yang, Xiao-Juan","Coordination polymers derived from a flexible bis(pyridylurea) ligand: conformational change of the ligand and structural diversity of the complexes","CrystEngComm","2011","13","1","215","","10.1039/c0ce00200c","","","0.71073","MoKα","","0.0665","0.0396","","","0.0796","0.09","","","","","","1.017","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7205199","6.5225","0.0004","10.6474","0.0006","23.2444","0.0014","90","","93.983","0.002","90","","1610.37","0.17","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","205596 (3631-97-01)","","- C17 H18 N4 O5 -","- C17 H18 N4 O5 -","- C68 H72 N16 O20 -","4","1","","Schultheiss, Nate; Roe, Melanie; Boerrigter, Stephan X. M.","Cocrystals of nutraceutical p-coumaric acid with caffeine and theophylline: polymorphism and solid-state stability explored in detail using their crystal graphs","CrystEngComm","2011","13","2","611","","10.1039/c0ce00214c","","","0.71073","MoKα","","0.0536","0.0447","","","0.1295","0.1367","","","","","","1.053","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205200","8.1475","0.0007","11.2176","0.0009","14.8517","0.0013","75.956","0.002","84.712","0.002","73.34","0.002","1261.16","0.19","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","3631-86-02 (205289)","","- C25 H28 N8 O7.2 -","- C25 H28 N8 O7.2 -","- C50 H56 N16 O14.4 -","2","1","","Schultheiss, Nate; Roe, Melanie; Boerrigter, Stephan X. M.","Cocrystals of nutraceutical p-coumaric acid with caffeine and theophylline: polymorphism and solid-state stability explored in detail using their crystal graphs","CrystEngComm","2011","13","2","611","","10.1039/c0ce00214c","","","0.71073","MoKα","","0.0687","0.0538","","","0.1427","0.1512","","","","","","1.041","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7205201","17.559","0.003","11.426","0.002","21.736","0.003","90","","114.588","0.011","90","","3965.4","1.2","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 Cu2 N12 O9 -","- C36 H30 Cu2 N12 O9 -","- C144 H120 Cu8 N48 O36 -","4","1","","Xu, Jiao; Yao, Xiao-Qiang; Huang, Liang-Fang; Li, Yi-Zhi; Zheng, He-Gen","Syntheses, structures, photoluminescence and magnetic properties of four new metal‒organic frameworks based on imidazole ligands and aromatic polycarboxylate acids","CrystEngComm","2011","13","3","857","","10.1039/c0ce00219d","","","0.71073","MoKα","","0.0966","0.0586","","","0.1319","0.1417","","","","","","1.034","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205202","13.607","0.002","17.518","0.003","9.3722","0.0016","90","","90","","90","","2234","0.6","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C26 H18 Cd N4 O4 -","- C26 H18 Cd N4 O4 -","- C104 H72 Cd4 N16 O16 -","4","0.5","","Xu, Jiao; Yao, Xiao-Qiang; Huang, Liang-Fang; Li, Yi-Zhi; Zheng, He-Gen","Syntheses, structures, photoluminescence and magnetic properties of four new metal‒organic frameworks based on imidazole ligands and aromatic polycarboxylate acids","CrystEngComm","2011","13","3","857","","10.1039/c0ce00219d","","","0.71073","MoKα","","0.0496","0.0342","","","0.0685","0.0734","","","","","","1.05","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205203","10.7532","0.0019","12.38","0.002","12.823","0.002","66.004","0.003","78.439","0.004","82.324","0.004","1525.3","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H29 Co N6 O6 -","- C35 H29 Co N6 O6 -","- C70 H58 Co2 N12 O12 -","2","1","","Xu, Jiao; Yao, Xiao-Qiang; Huang, Liang-Fang; Li, Yi-Zhi; Zheng, He-Gen","Syntheses, structures, photoluminescence and magnetic properties of four new metal‒organic frameworks based on imidazole ligands and aromatic polycarboxylate acids","CrystEngComm","2011","13","3","857","","10.1039/c0ce00219d","","","0.71073","MoKα","","0.1089","0.0699","","","0.1603","0.1838","","","","","","1.057","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205204","10.2262","0.0014","14.248","0.002","14.761","0.002","90","","102.849","0.002","90","","2096.9","0.5","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 N4 O6 Zn -","- C23 H18 N4 O6 Zn -","- C92 H72 N16 O24 Zn4 -","4","1","","Xu, Jiao; Yao, Xiao-Qiang; Huang, Liang-Fang; Li, Yi-Zhi; Zheng, He-Gen","Syntheses, structures, photoluminescence and magnetic properties of four new metal‒organic frameworks based on imidazole ligands and aromatic polycarboxylate acids","CrystEngComm","2011","13","3","857","","10.1039/c0ce00219d","","","0.71073","MoKα","","0.0587","0.0493","","","0.1346","0.1391","","","","","","1.088","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205205","19.873","0.003","19.873","0.003","12.5477","0.0016","90","","90","","90","","4955.5","1.2","173","2","173","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C48 H40 Cu2 N16 W -","- C48 H40 Cu2 N16 W -","- C192 H160 Cu8 N64 W4 -","4","0.25","","Qian, Jun; Zhao, Huajian; Wei, Hongyang; Li, Jianghua; Zhang, Jinfang; Yoshikawa, Hirofumi; Awaga, Kunio; Zhang, Chi","Two 3D coordination assemblies with same cluster configuration showing different magnetic behaviors: a ferromagnetic {[W(CN)8Co2(DMF)8][NO3]}n and a paramagnetic {W(CN)8Cu2(py)8}n","CrystEngComm","2011","13","2","517","","10.1039/c0ce00227e","","","0.7107","MoKα","","0.0642","0.0583","","","0.0951","0.0968","","","","","","1.292","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205206","12.1408","0.0002","12.1408","0.0002","34.7802","0.0008","90","","90","","90","","5126.57","0.17","150","2","150","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C32 H56 Co2 N16 O8 W -","- C32 H56 Co2 N16 O8 W -","- C128 H224 Co8 N64 O32 W4 -","4","0.25","","Qian, Jun; Zhao, Huajian; Wei, Hongyang; Li, Jianghua; Zhang, Jinfang; Yoshikawa, Hirofumi; Awaga, Kunio; Zhang, Chi","Two 3D coordination assemblies with same cluster configuration showing different magnetic behaviors: a ferromagnetic {[W(CN)8Co2(DMF)8][NO3]}n and a paramagnetic {W(CN)8Cu2(py)8}n","CrystEngComm","2011","13","2","517","","10.1039/c0ce00227e","","","0.71073","MoKα","","0.0267","0.0224","","","0.0524","0.0536","","","","","","1.042","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205207","12.9037","0.0011","6.1373","0.0005","18.3478","0.0016","90","","98.45","0.002","90","","1437.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 N6 O18 U3 -","- C20 H16 N6 O18 U3 -","- C40 H32 N12 O36 U6 -","2","0.5","","Knope, Karah E.; Cahill, Christopher L.","Uranyl triazolate formation via an in situ Huisgen 1,3-dipolar cycloaddition reaction","CrystEngComm","2011","13","1","153","","10.1039/c0ce00231c","","","0.71073","MoKα","","0.028","0.0215","","","0.0438","0.0458","","","","","","1.029","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205208","8.9604","0.0003","17.5585","0.0006","9.195","0.0003","90","","95.2519","0.0017","90","","1440.59","0.08","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H11 I N2 -","- C18 H11 I N2 -","- C72 H44 I4 N8 -","4","1","","Shishkin, Oleg V.; Dyakonenko, Viktorya V.; Maleev, Andrey V.; Schollmeyer, Dieter; Vysotsky, Myroslav O.","Columnar supramolecular architecture of crystals of 2-(4-Iodophenyl)-1,10-phenanthroline derived from values of intermolecular interaction energy","CrystEngComm","2011","13","3","800","","10.1039/c0ce00246a","","","0.71073","MoKα","","0.0247","0.0228","","","0.0595","0.0606","","","","","","1.119","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205209","14.112","0.003","26.191","0.005","12.785","0.003","90","","112.92","0.03","90","","4352.4","1.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H26 Mn2 N6 O16 -","- C41 H26 Mn2 N6 O16 -","- C164 H104 Mn8 N24 O64 -","4","0.5","","Li, Baiyan; Li, Guanghua; Liu, Dan; Peng, Yu; Zhou, Xiaojing; Hua, Jia; Shi, Zhan; Feng, Shouhua","Coordination polymers constructed by 1,3-bi(4-pyridyl)propane with four different conformations and 2,2′-dinitro-4,4′-biphenyldicarboxylate ligands: the effects of metal ions","CrystEngComm","2011","13","5","1291","","10.1039/c0ce00252f","","","0.71073","MoKα","","0.1142","0.0885","","","0.2257","0.2456","","","","","","1.023","","","","has coordinates,has disorder","180383","2020-10-21","18:00:00",""
"7205210","14.381","0.003","16.173","0.003","21.049","0.004","89.88","0.03","89.88","0.03","65.1","0.03","4440.6","1.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C82 H62.5 Co4 N12 O37.25 -","- C82 H54 Co4 N12 O37.25 -","- C164 H108 Co8 N24 O74.5 -","2","1","","Li, Baiyan; Li, Guanghua; Liu, Dan; Peng, Yu; Zhou, Xiaojing; Hua, Jia; Shi, Zhan; Feng, Shouhua","Coordination polymers constructed by 1,3-bi(4-pyridyl)propane with four different conformations and 2,2′-dinitro-4,4′-biphenyldicarboxylate ligands: the effects of metal ions","CrystEngComm","2011","13","5","1291","","10.1039/c0ce00252f","","","0.71073","MoKα","","0.0964","0.0795","","","0.1918","0.2008","","","","","","1.033","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7205211","8.1758","0.0016","11.792","0.002","14.983","0.003","73.99","0.03","77.45","0.03","78.48","0.03","1340.2","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H24 N4 Ni O10 -","- C27 H17.5 N4 Ni O10 -","- C54 H35 N8 Ni2 O20 -","2","1","","Li, Baiyan; Li, Guanghua; Liu, Dan; Peng, Yu; Zhou, Xiaojing; Hua, Jia; Shi, Zhan; Feng, Shouhua","Coordination polymers constructed by 1,3-bi(4-pyridyl)propane with four different conformations and 2,2′-dinitro-4,4′-biphenyldicarboxylate ligands: the effects of metal ions","CrystEngComm","2011","13","5","1291","","10.1039/c0ce00252f","","","0.71073","MoKα","","0.1471","0.0875","","","0.2007","0.241","","","","","","1.038","","","","has coordinates,has disorder","180383","2020-10-21","18:00:00",""
"7205212","8.2329","0.0016","25.653","0.005","12.817","0.003","90","","101.72","0.03","90","","2650.5","1","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C27 H20 N4 O8 Zn -","- C27 H20 N4 O8 Zn -","- C108 H80 N16 O32 Zn4 -","4","1","","Li, Baiyan; Li, Guanghua; Liu, Dan; Peng, Yu; Zhou, Xiaojing; Hua, Jia; Shi, Zhan; Feng, Shouhua","Coordination polymers constructed by 1,3-bi(4-pyridyl)propane with four different conformations and 2,2′-dinitro-4,4′-biphenyldicarboxylate ligands: the effects of metal ions","CrystEngComm","2011","13","5","1291","","10.1039/c0ce00252f","","","0.71073","MoKα","","0.0419","0.0344","","","0.0767","0.0799","","","","","","1.068","","","","has coordinates,has disorder","180383","2020-10-21","18:00:00",""
"7205213","28.506","0.006","10.93","0.002","13.22","0.003","90","","104.18","0.03","90","","3993.5","1.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H26 Cd2 N6 O16 -","- C41 H26 Cd2 N6 O16 -","- C164 H104 Cd8 N24 O64 -","4","0.5","","Li, Baiyan; Li, Guanghua; Liu, Dan; Peng, Yu; Zhou, Xiaojing; Hua, Jia; Shi, Zhan; Feng, Shouhua","Coordination polymers constructed by 1,3-bi(4-pyridyl)propane with four different conformations and 2,2′-dinitro-4,4′-biphenyldicarboxylate ligands: the effects of metal ions","CrystEngComm","2011","13","5","1291","","10.1039/c0ce00252f","","","0.71073","MoKα","","0.0524","0.0318","","","0.0642","0.0702","","","","","","0.953","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205214","9.2625","0.0004","13.1795","0.0005","11.728","0.0005","90","","97.562","0.002","90","","1419.25","0.1","","","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 F8 Hg N2 O4 -","- C12 F8 Hg N2 O4 -","- C48 F32 Hg4 N8 O16 -","4","1","","Deacon, Glen B.; Forsyth, Craig M.; Junk, Peter C.; Izgorodina, Ekaterina I.; Ness, Timothy J.; Meyer, Gerd; Pantenburg, Ingo","A supramolecular twist to the structures of bis(polyfluorophenyl)mercurials","CrystEngComm","2011","13","1","88","","10.1039/c0ce00258e","","","0.71073","MoKα","","0.028","0.0219","","","0.0411","0.0436","","","","","","1.057","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205215","12.7462","0.0003","8.5095","0.0002","13.1712","0.0003","90","","105.339","0.001","90","","1377.71","0.06","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 F8 Hg N2 O4 -","- C12 F8 Hg N2 O4 -","- C48 F32 Hg4 N8 O16 -","4","1","","Deacon, Glen B.; Forsyth, Craig M.; Junk, Peter C.; Izgorodina, Ekaterina I.; Ness, Timothy J.; Meyer, Gerd; Pantenburg, Ingo","A supramolecular twist to the structures of bis(polyfluorophenyl)mercurials","CrystEngComm","2011","13","1","88","","10.1039/c0ce00258e","","","0.71073","MoKα","","0.0446","0.0361","","","0.0874","0.0919","","","","","","1.063","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205216","6.1736","0.0002","9.15","0.0002","24.7578","0.0006","90","","92.857","0.001","90","","1396.79","0.06","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 F8 Hg N2 O4 -","- C12 F8 Hg N2 O4 -","- C48 F32 Hg4 N8 O16 -","4","1","","Deacon, Glen B.; Forsyth, Craig M.; Junk, Peter C.; Izgorodina, Ekaterina I.; Ness, Timothy J.; Meyer, Gerd; Pantenburg, Ingo","A supramolecular twist to the structures of bis(polyfluorophenyl)mercurials","CrystEngComm","2011","13","1","88","","10.1039/c0ce00258e","","","0.71073","MoKα","","0.0442","0.03","","","0.0608","0.0655","","","","","","1.065","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205217","12.159","0.004","12.159","0.004","20.852","0.006","90","","90","","90","","3082.8","1.7","293","2","293","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C48 H40 Mo6 N16 Ni2 O19 -","- C48 H40 Mo6 N16 Ni2 O19 -","- C96 H80 Mo12 N32 Ni4 O38 -","2","0.125","","Yang, Guang-Sheng; Zang, Hong-Ying; Lan, Ya-Qian; Wang, Xin-Long; Jiang, Chun-Jie; Su, Zhong-Min; Zhu, Lian-De","Synthesis and characterization of two {Mo6}-based/templated metal‒organic frameworks","CrystEngComm","2011","13","5","1461","","10.1039/c0ce00259c","","","0.71069","MoKα","","0.1238","0.1067","","","0.275","0.297","","","","","","1.055","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205218","8.494","0.003","12.987","0.005","15.187","0.006","91.213","0.006","94.185","0.005","108.525","0.005","1582.5","1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H44 Mo6 N16 O29 P2 Zn4 -","- C48 H40 Mo6 N16 O29 P2 Zn4 -","- C48 H40 Mo6 N16 O29 P2 Zn4 -","1","0.5","","Yang, Guang-Sheng; Zang, Hong-Ying; Lan, Ya-Qian; Wang, Xin-Long; Jiang, Chun-Jie; Su, Zhong-Min; Zhu, Lian-De","Synthesis and characterization of two {Mo6}-based/templated metal‒organic frameworks","CrystEngComm","2011","13","5","1461","","10.1039/c0ce00259c","","","0.71069","MoKα","","0.1764","0.1088","","","0.2709","0.3239","","","","","","1.067","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205219","8.356","0.0006","9.822","0.0007","9.904","0.0007","68.292","0.001","85.2","0.001","82.759","0.001","748.57","0.09","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C20 H31 N8 O11 V3 Zn2 -","- C20 H31 N8 O11 V3 Zn2 -","- C20 H31 N8 O11 V3 Zn2 -","1","1","","Qin, Jun-Sheng; Du, Dong-Ying; Li, Shun-Li; Lan, Ya-Qian; Shao, Kui-Zhan; Su, Zhong-Min","pH-Tuned self-assembly of organic‒inorganic hybrids based on different vanadate chains, Zn(ii) ions and flexible ligands: crystallizing in polar and centrosymmetric space group","CrystEngComm","2011","13","3","779","","10.1039/c0ce00260g","","","0.71069","MoKα","","0.0586","0.0448","","","0.0781","0.0826","","","","","","1.057","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205220","19.013","0.0004","9.2","0.0005","18.482","0.0008","90","","97.268","0.001","90","","3206.9","0.2","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C20 H28 N8 O12 V4 Zn2 -","- C20 H28 N8 O12 V4 Zn2 -","- C80 H112 N32 O48 V16 Zn8 -","4","1","","Qin, Jun-Sheng; Du, Dong-Ying; Li, Shun-Li; Lan, Ya-Qian; Shao, Kui-Zhan; Su, Zhong-Min","pH-Tuned self-assembly of organic‒inorganic hybrids based on different vanadate chains, Zn(ii) ions and flexible ligands: crystallizing in polar and centrosymmetric space group","CrystEngComm","2011","13","3","779","","10.1039/c0ce00260g","","","0.71069","MoKα","","0.0337","0.0318","","","0.0719","0.0727","","","","","","0.999","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205221","15.574","0.0005","5.617","0.0007","19.09","0.0015","90","","108.408","0.001","90","","1584.5","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H14 N4 O6 V2 Zn -","- C10 H6 N4 O6 V2 Zn -","- C40 H24 N16 O24 V8 Zn4 -","4","0.5","","Qin, Jun-Sheng; Du, Dong-Ying; Li, Shun-Li; Lan, Ya-Qian; Shao, Kui-Zhan; Su, Zhong-Min","pH-Tuned self-assembly of organic‒inorganic hybrids based on different vanadate chains, Zn(ii) ions and flexible ligands: crystallizing in polar and centrosymmetric space group","CrystEngComm","2011","13","3","779","","10.1039/c0ce00260g","","","0.71069","MoKα","","0.0394","0.0346","","","0.0881","0.0908","","","","","","1.07","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205222","20.7034","0.0004","7.5718","0.0002","30.7679","0.0009","90","","92.7486","0.0009","90","","4817.7","0.2","110","2","110","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H20 O16 Zn -","- C17 H20 O16 Zn -","- C136 H160 O128 Zn8 -","8","1","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. II. Supramolecular assemblies of 5,5′-methylene- and 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid ligands with d-transition metals","CrystEngComm","2011","13","1","350","","10.1039/c0ce00268b","","","0.71073","MoKα","","0.0904","0.0547","","","0.1423","0.1563","","","","","","0.978","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205223","10.8788","0.0002","30.1049","0.0006","8.5449","0.0002","90","","111.36","0.0014","90","","2606.27","0.1","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N O15 Zn2 -","- C22 H23 N O15 Zn2 -","- C88 H92 N4 O60 Zn8 -","4","1","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. II. Supramolecular assemblies of 5,5′-methylene- and 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid ligands with d-transition metals","CrystEngComm","2011","13","1","350","","10.1039/c0ce00268b","","","0.71073","MoKα","","0.0787","0.0472","","","0.1215","0.1351","","","","","","1.023","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205224","28.0246","0.0006","12.3747","0.0003","14.1946","0.0003","90","","109.489","0.0011","90","","4640.6","0.18","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H24 Mn3 N2 O22 -","- C40 H24 Mn3 N2 O22 -","- C160 H96 Mn12 N8 O88 -","4","0.5","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. II. Supramolecular assemblies of 5,5′-methylene- and 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid ligands with d-transition metals","CrystEngComm","2011","13","1","350","","10.1039/c0ce00268b","","","0.71073","MoKα","","0.0981","0.054","","","0.1342","0.1482","","","","","","0.941","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205225","10.2067","0.0004","11.1297","0.0006","13.9251","0.0005","112.663","0.003","104.574","0.003","94.796","0.0017","1383.57","0.11","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H8 Co2 O12 -","- C17 H8 Co2 O12 -","- C34 H16 Co4 O24 -","2","1","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. II. Supramolecular assemblies of 5,5′-methylene- and 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid ligands with d-transition metals","CrystEngComm","2011","13","1","350","","10.1039/c0ce00268b","","","0.71073","MoKα","","0.082","0.0486","","","0.1101","0.1162","","","","","","0.964","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205226","8.5594","0.0001","9.7574","0.0002","11.5046","0.0002","67.7013","0.0009","81.9196","0.0008","71.414","0.0011","842.41","0.03","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H12 Ag2 O11 -","- C17 H12 Ag2 O11 -","- C34 H24 Ag4 O22 -","2","1","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. II. Supramolecular assemblies of 5,5′-methylene- and 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid ligands with d-transition metals","CrystEngComm","2011","13","1","350","","10.1039/c0ce00268b","","","0.71073","MoKα","","0.0418","0.0312","","","0.0786","0.085","","","","","","1.022","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205227","13.8667","0.0004","14.8068","0.0004","14.605","0.0004","90","","114.175","0.0012","90","","2735.72","0.13","110","2","110","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 Cd O10 -","- C18 H12 Cd O10 -","- C72 H48 Cd4 O40 -","4","0.5","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. II. Supramolecular assemblies of 5,5′-methylene- and 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid ligands with d-transition metals","CrystEngComm","2011","13","1","350","","10.1039/c0ce00268b","","","0.71073","MoKα","","0.0369","0.0337","","","0.0953","0.0974","","","","","","1.091","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205228","11.1099","0.0001","13.8909","0.0001","22.485","0.0004","90","","90","","90","","3470.03","0.07","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H38 N4 O14 Zn2 -","- C30 H38 N4 O14 Zn2 -","- C120 H152 N16 O56 Zn8 -","4","1","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. II. Supramolecular assemblies of 5,5′-methylene- and 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid ligands with d-transition metals","CrystEngComm","2011","13","1","350","","10.1039/c0ce00268b","","","0.71073","MoKα","","0.0555","0.0383","","","0.0819","0.0878","","","","","","0.982","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205229","10.0777","0.0002","11.0012","0.0002","15.0573","0.0003","72.949","0.0012","77.0468","0.0011","81.3705","0.001","1548.98","0.05","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H12 Ni2 O12 -","- C18 H12 Ni2 O12 -","- C36 H24 Ni4 O24 -","2","1","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. II. Supramolecular assemblies of 5,5′-methylene- and 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid ligands with d-transition metals","CrystEngComm","2011","13","1","350","","10.1039/c0ce00268b","","","0.71073","MoKα","","0.0553","0.0379","","","0.096","0.1009","","","","","","0.933","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205230","15.4803","0.0002","17.8109","0.0002","13.2541","0.0002","90","","104.711","0.0006","90","","3534.6","0.08","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 Ag4 O22 -","- C36 H28 Ag4 O22 -","- C144 H112 Ag16 O88 -","4","1","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. II. Supramolecular assemblies of 5,5′-methylene- and 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid ligands with d-transition metals","CrystEngComm","2011","13","1","350","","10.1039/c0ce00268b","","","0.71073","MoKα","","0.0583","0.0388","","","0.0894","0.0985","","","","","","1.003","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205231","16.437","0.0002","14.699","0.0002","17.5061","0.0002","90","","109.379","0.001","90","","3989.97","0.09","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H34 N4 O13 S Zn2 -","- C39 H34 N4 O13 S Zn2 -","- C156 H136 N16 O52 S4 Zn8 -","4","1","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. II. Supramolecular assemblies of 5,5′-methylene- and 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid ligands with d-transition metals","CrystEngComm","2011","13","1","350","","10.1039/c0ce00268b","","","0.71073","MoKα","","0.0882","0.0493","","","0.1277","0.1417","","","","","","0.943","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205232","7.7679","0.0002","10.6578","0.0004","12.8283","0.0003","78.834","0.002","73.855","0.002","80.3001","0.0012","993.41","0.05","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H14 Ag2 N O10 -","- C22 H14 Ag2 N O10 -","- C44 H28 Ag4 N2 O20 -","2","1","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. II. Supramolecular assemblies of 5,5′-methylene- and 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid ligands with d-transition metals","CrystEngComm","2011","13","1","350","","10.1039/c0ce00268b","","","0.71073","MoKα","","0.0537","0.0377","","","0.0884","0.0974","","","","","","1.017","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205233","20.2908","0.0013","9.9513","0.0006","14.572","0.0009","90","","116.45","0.003","90","","2634.4","0.3","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H20 Co N2 O10 -","- C28 H20 Co N2 O10 -","- C112 H80 Co4 N8 O40 -","4","0.5","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. II. Supramolecular assemblies of 5,5′-methylene- and 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid ligands with d-transition metals","CrystEngComm","2011","13","1","350","","10.1039/c0ce00268b","","","0.71073","MoKα","","0.0752","0.0532","","","0.1042","0.1119","","","","","","1.077","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205234","13.5405","0.0003","21.5306","0.0005","13.5016","0.0003","90","","105.778","0.0013","90","","3787.89","0.15","110","2","110","2","","","","","","","","5","C 1 m 1","C -2y","8","","","","- C30 H26 Co2 N2 O12 -","- C30 H26 Co2 N2 O12 -","- C120 H104 Co8 N8 O48 -","4","1","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. II. Supramolecular assemblies of 5,5′-methylene- and 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid ligands with d-transition metals","CrystEngComm","2011","13","1","350","","10.1039/c0ce00268b","","","0.71073","MoKα","","0.0602","0.0468","","","0.1139","0.1181","","","","","","1.044","","","","has coordinates,has disorder","180383","2020-10-21","18:00:00",""
"7205235","5.09","","3.6663","","18.0741","","90","","90","","90","","337.289","","298","","298","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","1H-5aminotetrazole","1H-5aminotetrazole","","- C H3 N5 -","- C H3 N5 -","- C4 H12 N20 -","4","1","","Fujihisa, Hiroshi; Honda, Kazumasa; Obata, Shigeaki; Yamawaki, Hiroshi; Takeya, Satoshi; Gotoh, Yoshito; Matsunaga, Takehiro","Crystal structure of anhydrous 5-aminotetrazole and its high-pressure behavior","CrystEngComm","2011","13","1","99","","10.1039/c0ce00278j","","","0.7107","MoKα","","","","","","","0.0736","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205236","4.9624","","3.2575","","17.5375","","90","","90","","90","","283.494","","298","","298","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","5-amino-1H-tetrazole","","- C H3 N5 -","- C H3 N5 -","- C4 H12 N20 -","4","1","","Fujihisa, Hiroshi; Honda, Kazumasa; Obata, Shigeaki; Yamawaki, Hiroshi; Takeya, Satoshi; Gotoh, Yoshito; Matsunaga, Takehiro","Crystal structure of anhydrous 5-aminotetrazole and its high-pressure behavior","CrystEngComm","2011","13","1","99","","10.1039/c0ce00278j","","","0.7107","MoKα","","","","","","","0.017","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205237","4.8628","","3.0809","","17.2703","","90","","90","","90","","258.74","","298","","298","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","5-amino-1H-tetrazole","","- C H3 N5 -","- C H3 N5 -","- C4 H12 N20 -","4","1","","Fujihisa, Hiroshi; Honda, Kazumasa; Obata, Shigeaki; Yamawaki, Hiroshi; Takeya, Satoshi; Gotoh, Yoshito; Matsunaga, Takehiro","Crystal structure of anhydrous 5-aminotetrazole and its high-pressure behavior","CrystEngComm","2011","13","1","99","","10.1039/c0ce00278j","","","0.7107","MoKα","","","","","","","0.006","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205238","13.1695","0.0011","17.148","0.0011","14.6239","0.0016","90","","107.916","0.001","90","","3142.4","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H40 Cu2 N0 O25 -","- C16 H40 Cu2 O25 -","- C64 H160 Cu8 O100 -","4","0.5","","Tian, Dan; Pang, Yu; Zhou, Yan-Hong; Guan, Li; Zhang, Hong","A series of complexes based on biphenyl-2,5,2′,5′-tetracarboxylic acid: syntheses, crystal structures, luminescent and magnetic properties","CrystEngComm","2011","13","3","957","","10.1039/c0ce00281j","","","0.71073","MoKα","","0.0502","0.0431","","","0.1202","0.1241","","","","","","1.059","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205239","14.223","0.002","19.095","0.003","15.143","0.002","90","","113.099","0.002","90","","3782.9","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H38 N4 Ni2 O16 -","- C36 H36 N4 Ni2 O16 -","- C144 H144 N16 Ni8 O64 -","4","1","","Tian, Dan; Pang, Yu; Zhou, Yan-Hong; Guan, Li; Zhang, Hong","A series of complexes based on biphenyl-2,5,2′,5′-tetracarboxylic acid: syntheses, crystal structures, luminescent and magnetic properties","CrystEngComm","2011","13","3","957","","10.1039/c0ce00281j","","","0.71073","MoKα","","0.1141","0.0494","","","0.0882","0.1014","","","","","","0.919","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205240","13.1584","0.0005","17.1511","0.0005","14.6293","0.0005","90","","107.968","0.004","90","","3140.5","0.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H40 Ni2 O25 -","- C16 H20 Ni2 O25 -","- C64 H80 Ni8 O100 -","4","0.5","","Tian, Dan; Pang, Yu; Zhou, Yan-Hong; Guan, Li; Zhang, Hong","A series of complexes based on biphenyl-2,5,2′,5′-tetracarboxylic acid: syntheses, crystal structures, luminescent and magnetic properties","CrystEngComm","2011","13","3","957","","10.1039/c0ce00281j","","","0.71073","MoKα","","0.0577","0.0351","","","0.0751","0.0781","","","","","","0.902","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205241","9.879","0.004","11.397","0.004","21.932","0.008","90","","93.03","0.005","90","","2465.9","1.6","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C26 H22 Co N2 O11 -","- C26 H20 Co N2 O11 -","- C104 H80 Co4 N8 O44 -","4","1","","Tian, Dan; Pang, Yu; Zhou, Yan-Hong; Guan, Li; Zhang, Hong","A series of complexes based on biphenyl-2,5,2′,5′-tetracarboxylic acid: syntheses, crystal structures, luminescent and magnetic properties","CrystEngComm","2011","13","3","957","","10.1039/c0ce00281j","","","0.71073","MoKα","","0.0738","0.052","","","0.1058","0.1166","","","","","","1.071","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205242","14.264","","19.306","","15.435","","90","","113.44","","90","","3899.74","","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 N4 O17 Zn2 -","- C36 H36 N4 O17 Zn2 -","- C144 H144 N16 O68 Zn8 -","4","1","","Tian, Dan; Pang, Yu; Zhou, Yan-Hong; Guan, Li; Zhang, Hong","A series of complexes based on biphenyl-2,5,2′,5′-tetracarboxylic acid: syntheses, crystal structures, luminescent and magnetic properties","CrystEngComm","2011","13","3","957","","10.1039/c0ce00281j","","","0.71073","MoKα","","0.1214","0.0531","","","0.1084","0.1314","","","","","","1.011","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205243","13.4203","0.0003","7.9925","0.0001","21.9329","0.0004","90","","98.726","0.001","90","","2325.33","0.07","296","2","296","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C46 H47 N4 Ni2 O9 S4 -","- C46 H47 N4 Ni2 O9 S4 -","- C92 H94 N8 Ni4 O18 S8 -","2","0.5","","Wang, Xiao-Juan; Zhan, Cai-Hong; Feng, Yun-Long; Lan, You-Zhao; Yin, Jian-Ling; Cheng, Jian-Wen","Two unusual (4,6)- and 8-connected metal‒organic frameworks constructed from flexible 1,4-benzenebis(thioacetic acid) and pyridine-based ligands","CrystEngComm","2011","13","2","684","","10.1039/c0ce00283f","","","0.71073","MoKα","","","0.0515","","","0.1428","0.1508","","","","","","1.055","","","","has coordinates,has disorder","180383","2020-10-21","18:00:00",""
"7205244","17.0825","0.0002","11.5048","0.0001","9.5315","0.0001","90","","92.629","0.001","90","","1871.26","0.03","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 Co N2 O4 S2 -","- C20 H16 Co N2 O4 S2 -","- C80 H64 Co4 N8 O16 S8 -","4","0.5","","Wang, Xiao-Juan; Zhan, Cai-Hong; Feng, Yun-Long; Lan, You-Zhao; Yin, Jian-Ling; Cheng, Jian-Wen","Two unusual (4,6)- and 8-connected metal‒organic frameworks constructed from flexible 1,4-benzenebis(thioacetic acid) and pyridine-based ligands","CrystEngComm","2011","13","2","684","","10.1039/c0ce00283f","","","0.71073","MoKα","","","0.0254","","","0.0674","0.0698","","","","","","1.057","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205245","9.785","0.002","8.0179","0.0016","19.629","0.004","90","","93.61","0.03","90","","1536.9","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 Ag2 Cl2 N14 O8 -","- C26 H22 Ag2 Cl2 N14 O8 -","- C52 H44 Ag4 Cl4 N28 O16 -","2","0.5","","Ho, Mei-Lin; Shih, Chien-Hung; Lee, Chia-Hwa; Lee, Gene-Hsiang","Synthesis, structures and photoluminescence properties of silver(i) complexes with N,N′-di(pyrazin-2-yl)pyridine-2,6-diamine","CrystEngComm","2011","13","3","992","","10.1039/c0ce00294a","","","0.71073","MoKα","","0.0667","0.0339","","","0.0671","0.0758","","","","","","0.964","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205246","9.6693","0.001","10.2699","0.0011","11.6983","0.0013","79.178","0.002","72.441","0.002","64.003","0.002","993.39","0.19","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H36 Ag2 Cl2 N16 O10 -","- C32 H36 Ag2 Cl2 N16 O10 -","- C32 H36 Ag2 Cl2 N16 O10 -","1","0.5","","Ho, Mei-Lin; Shih, Chien-Hung; Lee, Chia-Hwa; Lee, Gene-Hsiang","Synthesis, structures and photoluminescence properties of silver(i) complexes with N,N′-di(pyrazin-2-yl)pyridine-2,6-diamine","CrystEngComm","2011","13","3","992","","10.1039/c0ce00294a","","","0.71073","MoKα","","0.0734","0.0639","","","0.1462","0.1509","","","","","","1.168","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205247","9.7471","0.0002","22.0918","0.0004","9.0346","0.0002","90","","113.243","0.0009","90","","1787.53","0.06","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 Ag2 F6 N14 O6 S2 -","- C28 H22 Ag2 F6 N14 O6 S2 -","- C56 H44 Ag4 F12 N28 O12 S4 -","2","0.5","","Ho, Mei-Lin; Shih, Chien-Hung; Lee, Chia-Hwa; Lee, Gene-Hsiang","Synthesis, structures and photoluminescence properties of silver(i) complexes with N,N′-di(pyrazin-2-yl)pyridine-2,6-diamine","CrystEngComm","2011","13","3","992","","10.1039/c0ce00294a","","","0.71073","MoKα","","0.0409","0.0322","","","0.0847","0.0886","","","","","","1.112","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205248","14.1853","0.0003","12.2037","0.0002","26.1827","0.0005","90","","104.167","0.0009","90","","4394.72","0.15","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H46 Ag2 F12 N12 O5 P2 -","- C28 H46 Ag2 F12 N12 O5 P2 -","- C112 H184 Ag8 F48 N48 O20 P8 -","4","1","","Ho, Mei-Lin; Shih, Chien-Hung; Lee, Chia-Hwa; Lee, Gene-Hsiang","Synthesis, structures and photoluminescence properties of silver(i) complexes with N,N′-di(pyrazin-2-yl)pyridine-2,6-diamine","CrystEngComm","2011","13","3","992","","10.1039/c0ce00294a","","","0.71073","MoKα","","0.1009","0.0473","","","0.1128","0.1334","","","","","","1.032","","","","has coordinates,has disorder","180383","2020-10-21","18:00:00",""
"7205249","8.5909","0.0008","27.272","0.002","10.5706","0.0009","90","","105.897","0.005","90","","2381.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H15 Mn N5 O8 -","- C24 H15 Mn N5 O8 -","- C96 H60 Mn4 N20 O32 -","4","1","","Sun, Jian-Ke; Li, Wei; Cai, Li-Xuan; Zhang, Jie","Structural diversity of the mixed-ligand system Mn-cpdba-2,2′-bpy controlled by temperature","CrystEngComm","2011","13","5","1550","","10.1039/c0ce00297f","","","0.71073","MoKα","","0.0551","0.0458","","","0.1073","0.1152","","","","","","1.099","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205250","16.913","0.008","9.364","0.004","28.085","0.013","90","","101.681","0.009","90","","4356","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H32 Mn2 N8 O21 -","- C38 H22 Mn2 N8 O21 -","- C152 H88 Mn8 N32 O84 -","4","1","","Sun, Jian-Ke; Li, Wei; Cai, Li-Xuan; Zhang, Jie","Structural diversity of the mixed-ligand system Mn-cpdba-2,2′-bpy controlled by temperature","CrystEngComm","2011","13","5","1550","","10.1039/c0ce00297f","","","0.71073","MoKα","","0.1067","0.0876","","","0.2292","0.2446","","","","","","1.075","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205251","24.82","0.002","13.4888","0.0009","7.3141","0.0005","90","","90","","90","","2448.7","0.3","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C24 H18 Mn N5 O9.5 -","- C24 H15 Mn N5 O9.5 -","- C96 H60 Mn4 N20 O38 -","4","1","","Sun, Jian-Ke; Li, Wei; Cai, Li-Xuan; Zhang, Jie","Structural diversity of the mixed-ligand system Mn-cpdba-2,2′-bpy controlled by temperature","CrystEngComm","2011","13","5","1550","","10.1039/c0ce00297f","","","0.71073","MoKα","","0.0627","0.0489","","","0.1071","0.1147","","","","","","1.066","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205252","33.857","0.013","9.373","0.003","29.727","0.011","90","","112.2","0.007","90","","8734","5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C86 H56 Mn4 N18 O34 -","- C86 H52 Mn4 N18 O34 -","- C344 H208 Mn16 N72 O136 -","4","1","","Sun, Jian-Ke; Li, Wei; Cai, Li-Xuan; Zhang, Jie","Structural diversity of the mixed-ligand system Mn-cpdba-2,2′-bpy controlled by temperature","CrystEngComm","2011","13","5","1550","","10.1039/c0ce00297f","","","0.71073","MoKα","","0.1072","0.0679","","","0.1696","0.1959","","","","","","1.077","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205253","9.207","0.001","24.232","0.003","17.811","0.002","90","","114.068","0.005","90","","3628.2","0.7","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H42 N6 O12 -","- C36 H30 N6 O12 -","- C144 H120 N24 O48 -","4","1","","Masu, Hyuma; Sagara, Yuko; Imabeppu, Fumiaki; Takayanagi, Hiroaki; Katagiri, Kosuke; Kawahata, Masatoshi; Tominaga, Masahide; Kagechika, Hiroyuki; Yamaguchi, Kentaro; Azumaya, Isao","Crystal structure of spherical aromatic amide: pseudopolymorphs and formation of infinite water cluster in the channel structure","CrystEngComm","2011","13","2","406","","10.1039/c0ce00301h","","","0.71073","MoKα","","0.1042","0.0577","","","0.1465","0.167","","","","","","1.075","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205254","9.133","0.003","19.628","0.006","22.662","0.006","90","","107.77","0.01","90","","3869","2","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H39 N9 O6 -","- C42 H39 N9 O6 -","- C168 H156 N36 O24 -","4","1","","Masu, Hyuma; Sagara, Yuko; Imabeppu, Fumiaki; Takayanagi, Hiroaki; Katagiri, Kosuke; Kawahata, Masatoshi; Tominaga, Masahide; Kagechika, Hiroyuki; Yamaguchi, Kentaro; Azumaya, Isao","Crystal structure of spherical aromatic amide: pseudopolymorphs and formation of infinite water cluster in the channel structure","CrystEngComm","2011","13","2","406","","10.1039/c0ce00301h","","","0.71073","MoKα","","0.1482","0.0711","","","0.1649","0.1905","","","","","","1.051","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205255","9.5891","0.0005","16.8764","0.0008","8.6411","0.0004","90","","108.031","0.004","90","","1329.71","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Cd N4 O4 -","- C12 H12 Cd N4 O4 -","- C48 H48 Cd4 N16 O16 -","4","1","","Yeşilel, Okan Z.; Erer, Hakan; Büyükgüngör, Orhan","Supramolecular architectures of cadmium(ii)-orotate complexes containing water clusters","CrystEngComm","2011","13","5","1339","","10.1039/c0ce00308e","","","0.71073","MoKα","","0.0244","0.0212","","","0.056","0.0574","","","","","","1.049","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205256","10.6762","0.0003","14.9236","0.0005","10.2986","0.0003","90","","95.463","0.002","90","","1633.4","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H22 Cd N4 O6 -","- C11 H22 Cd N4 O6 -","- C44 H88 Cd4 N16 O24 -","4","1","","Yeşilel, Okan Z.; Erer, Hakan; Büyükgüngör, Orhan","Supramolecular architectures of cadmium(ii)-orotate complexes containing water clusters","CrystEngComm","2011","13","5","1339","","10.1039/c0ce00308e","","","0.71073","MoKα","","0.0264","0.0235","","","0.0608","0.0622","","","","","","1.026","","","","has coordinates,has disorder","180383","2020-10-21","18:00:00",""
"7205257","6.5073","0.0005","9.4505","0.0008","9.567","0.0009","65.998","0.007","85.229","0.007","72.619","0.007","512.43","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H22 Cd2 N6 O14 -","- C10 H22 Cd2 N6 O14 -","- C10 H22 Cd2 N6 O14 -","1","0.5","","Yeşilel, Okan Z.; Erer, Hakan; Büyükgüngör, Orhan","Supramolecular architectures of cadmium(ii)-orotate complexes containing water clusters","CrystEngComm","2011","13","5","1339","","10.1039/c0ce00308e","","","0.71073","MoKα","","0.0222","0.0213","","","0.0528","0.0533","","","","","","1.13","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205258","12.026","0.002","14.039","0.003","24.77","0.005","90","","90.44","0.03","90","","4181.9","1.4","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H27 I9 N3 Pb3 -","- C21 H27 I9 N3 Pb3 -","- C84 H108 I36 N12 Pb12 -","4","1","","Chen, Yang; Yang, Zhou; Guo, Cheng-Xin; Ni, Chun-Yan; Li, Hong-Xi; Ren, Zhi-Gang; Lang, Jian-Ping","Using alcohols as alkylation reagents for 4-cyanopyridinium and N,N′-dialkyl-4,4′-bipyridinium and their one-dimensional iodoplumbates","CrystEngComm","2011","13","1","243","","10.1039/c0ce00309c","","","0.71073","MoKα","","0.1164","0.0785","","","0.1435","0.1622","","","","","","1.097","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205259","12.328","0.003","14.341","0.003","24.982","0.005","90","","90.24","0.03","90","","4416.7","1.7","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H33 I9 N3 Pb3 -","- C24 H33 I9 N3 Pb3 -","- C96 H132 I36 N12 Pb12 -","4","1","","Chen, Yang; Yang, Zhou; Guo, Cheng-Xin; Ni, Chun-Yan; Li, Hong-Xi; Ren, Zhi-Gang; Lang, Jian-Ping","Using alcohols as alkylation reagents for 4-cyanopyridinium and N,N′-dialkyl-4,4′-bipyridinium and their one-dimensional iodoplumbates","CrystEngComm","2011","13","1","243","","10.1039/c0ce00309c","","","0.71073","MoKα","","0.1013","0.0722","","","0.1244","0.1369","","","","","","1.109","","","","has coordinates,has disorder","180383","2020-10-21","18:00:00",""
"7205260","16.182","0.003","21.323","0.004","17.966","0.004","90","","103.44","0.03","90","","6029","2","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H44 I12 N4 Pb4 -","- C32 H44 I12 N4 Pb4 -","- C128 H176 I48 N16 Pb16 -","4","1","","Chen, Yang; Yang, Zhou; Guo, Cheng-Xin; Ni, Chun-Yan; Li, Hong-Xi; Ren, Zhi-Gang; Lang, Jian-Ping","Using alcohols as alkylation reagents for 4-cyanopyridinium and N,N′-dialkyl-4,4′-bipyridinium and their one-dimensional iodoplumbates","CrystEngComm","2011","13","1","243","","10.1039/c0ce00309c","","","0.71073","MoKα","","0.1803","0.0986","","","0.1842","0.2363","","","","","","1.062","","","","has coordinates,has disorder","180383","2020-10-21","18:00:00",""
"7205261","16.743","0.003","14.793","0.003","28.814","0.006","90","","94.97","0.03","90","","7110","2","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H45 I12 N11 Pb4 -","- C38 H45 I12 N11 Pb4 -","- C152 H180 I48 N44 Pb16 -","4","0.5","","Chen, Yang; Yang, Zhou; Guo, Cheng-Xin; Ni, Chun-Yan; Li, Hong-Xi; Ren, Zhi-Gang; Lang, Jian-Ping","Using alcohols as alkylation reagents for 4-cyanopyridinium and N,N′-dialkyl-4,4′-bipyridinium and their one-dimensional iodoplumbates","CrystEngComm","2011","13","1","243","","10.1039/c0ce00309c","","","0.71073","MoKα","","0.1252","0.0725","","","0.1437","0.172","","","","","","1.045","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205262","7.861","0.0011","12.7769","0.0019","16.133","0.002","90","","97.655","0.004","90","","1605.9","0.4","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H11 I3 N2 Pb -","- C9 H11 I3 N2 Pb -","- C36 H44 I12 N8 Pb4 -","4","1","","Chen, Yang; Yang, Zhou; Guo, Cheng-Xin; Ni, Chun-Yan; Li, Hong-Xi; Ren, Zhi-Gang; Lang, Jian-Ping","Using alcohols as alkylation reagents for 4-cyanopyridinium and N,N′-dialkyl-4,4′-bipyridinium and their one-dimensional iodoplumbates","CrystEngComm","2011","13","1","243","","10.1039/c0ce00309c","","","0.71073","MoKα","","0.0948","0.065","","","0.2498","0.2694","","","","","","1.153","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205263","19.208","0.003","19.208","0.003","7.8129","0.0016","90","","90","","120","","2496.4","0.8","223","2","223","2","","","","","","","","5","P -3","-P 3","147","","","","- C27 H33 I9 N6 Pb3 -","- C27 H33 I9 N6 Pb3 -","- C54 H66 I18 N12 Pb6 -","2","0.333333","","Chen, Yang; Yang, Zhou; Guo, Cheng-Xin; Ni, Chun-Yan; Li, Hong-Xi; Ren, Zhi-Gang; Lang, Jian-Ping","Using alcohols as alkylation reagents for 4-cyanopyridinium and N,N′-dialkyl-4,4′-bipyridinium and their one-dimensional iodoplumbates","CrystEngComm","2011","13","1","243","","10.1039/c0ce00309c","","","0.71073","MoKα","","0.0635","0.0403","","","0.064","0.0721","","","","","","0.933","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205264","8.0356","0.0016","14.126","0.003","16.065","0.003","90","","93.41","0.03","90","","1820.3","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 I3 N2 Pb -","- C13 H11 I3 N2 Pb -","- C52 H44 I12 N8 Pb4 -","4","1","","Chen, Yang; Yang, Zhou; Guo, Cheng-Xin; Ni, Chun-Yan; Li, Hong-Xi; Ren, Zhi-Gang; Lang, Jian-Ping","Using alcohols as alkylation reagents for 4-cyanopyridinium and N,N′-dialkyl-4,4′-bipyridinium and their one-dimensional iodoplumbates","CrystEngComm","2011","13","1","243","","10.1039/c0ce00309c","","","0.71073","MoKα","","0.0724","0.0528","","","0.11","0.1188","","","","","","1.023","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205265","7.7261","0.0015","21.194","0.004","19.674","0.004","90","","94.01","0.03","90","","3213.7","1.1","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H32 I12 N8 Pb4 -","- C40 H32 I12 N8 Pb4 -","- C80 H64 I24 N16 Pb8 -","2","0.5","","Chen, Yang; Yang, Zhou; Guo, Cheng-Xin; Ni, Chun-Yan; Li, Hong-Xi; Ren, Zhi-Gang; Lang, Jian-Ping","Using alcohols as alkylation reagents for 4-cyanopyridinium and N,N′-dialkyl-4,4′-bipyridinium and their one-dimensional iodoplumbates","CrystEngComm","2011","13","1","243","","10.1039/c0ce00309c","","","0.71073","MoKα","","0.0804","0.0372","","","0.0597","0.0695","","","","","","0.815","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205266","18.894","0.0002","9.387","0.0001","36.767","0.0004","90","","101.624","0.001","90","","6387.18","0.12","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H29 N8 O6 Zn1.5 -","- C32 H29 N8 O6 Zn1.5 -","- C256 H232 N64 O48 Zn12 -","8","1","","Burrows, Andrew D.; Kelly, David J.; Haja Mohideen, M. Infas; Mahon, Mary F.; Pop, Viorica M.; Richardson, Christopher","Competition between coordination and hydrogen bonding in networks constructed using dipyridyl-1H-pyrazole ligands","CrystEngComm","2011","13","5","1676","","10.1039/c0ce00310g","","","0.71073","MoKα","","0.0407","0.0306","","","0.0706","0.0762","","","","","","0.974","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205267","13.965","0.0005","10.813","0.0004","24.206","0.0008","90","","98.454","0.002","90","","3615.5","0.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17.5 H18 N4 O4.5 Zn -","- C17.5 H16.5 N4 O4.5 Zn -","- C140 H132 N32 O36 Zn8 -","8","1","","Burrows, Andrew D.; Kelly, David J.; Haja Mohideen, M. Infas; Mahon, Mary F.; Pop, Viorica M.; Richardson, Christopher","Competition between coordination and hydrogen bonding in networks constructed using dipyridyl-1H-pyrazole ligands","CrystEngComm","2011","13","5","1676","","10.1039/c0ce00310g","","","0.71073","MoKα","","0.0719","0.0483","","","0.1093","0.1217","","","","","","1.031","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7205268","20.099","0.0006","9.143","0.0004","17.549","0.0007","90","","115.116","0.002","90","","2920","0.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H28 N8 O5 Zn -","- C30 H26 N8 O5 Zn -","- C120 H104 N32 O20 Zn4 -","4","0.5","","Burrows, Andrew D.; Kelly, David J.; Haja Mohideen, M. Infas; Mahon, Mary F.; Pop, Viorica M.; Richardson, Christopher","Competition between coordination and hydrogen bonding in networks constructed using dipyridyl-1H-pyrazole ligands","CrystEngComm","2011","13","5","1676","","10.1039/c0ce00310g","","","0.71073","MoKα","","0.0904","0.0582","","","0.1443","0.1696","","","","","","1.171","","","","has coordinates,has disorder","180383","2020-10-21","18:00:00",""
"7205269","5.275","0.0001","21.507","0.0003","12.253","0.0002","90","","101.063","0.001","90","","1364.26","0.04","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H10 Cl2 N4 Zn -","- C13 H10 Cl2 N4 Zn -","- C52 H40 Cl8 N16 Zn4 -","4","1","","Burrows, Andrew D.; Kelly, David J.; Haja Mohideen, M. Infas; Mahon, Mary F.; Pop, Viorica M.; Richardson, Christopher","Competition between coordination and hydrogen bonding in networks constructed using dipyridyl-1H-pyrazole ligands","CrystEngComm","2011","13","5","1676","","10.1039/c0ce00310g","","","0.71073","MoKα","","0.0317","0.0263","","","0.0628","0.0658","","","","","","1.05","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205270","7.423","0.0002","8.846","0.0003","14.056","0.0005","90.48","0.001","104.689","0.001","101.917","0.002","871.76","0.05","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H20 N5 O6 Zn0.5 -","- C15 H20 N5 O6 Zn0.5 -","- C30 H40 N10 O12 Zn -","2","1","","Burrows, Andrew D.; Kelly, David J.; Haja Mohideen, M. Infas; Mahon, Mary F.; Pop, Viorica M.; Richardson, Christopher","Competition between coordination and hydrogen bonding in networks constructed using dipyridyl-1H-pyrazole ligands","CrystEngComm","2011","13","5","1676","","10.1039/c0ce00310g","","","0.71073","MoKα","","0.0606","0.0389","","","0.0846","0.091","","","","","","1.048","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205271","10.7882","0.0013","12.3072","0.0012","14.2893","0.0014","83.183","0.007","69.59","0.007","65.174","0.008","1612.9","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H19 N6 O10 S Zn2.5 -","- C23 H19 N6 O10 S Zn2.5 -","- C46 H38 N12 O20 S2 Zn5 -","2","1","","Zhao, Li-Min; Zhang, Zhen-Jie; Zhang, Shi-Yuan; Cui, Ping; Shi, Wei; Zhao, Bin; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Metal‒organic frameworks based on transition-metal carboxylate clusters as secondary building units: synthesis, structures and properties","CrystEngComm","2011","13","3","907","","10.1039/c0ce00315h","","","0.71075","MoKα","","0.0957","0.0789","","","0.2159","0.2274","","","","","","1.049","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205272","17.4744","0.0013","9.8931","0.0008","25.4804","0.0014","90","","131.238","0.003","90","","3312.4","0.4","293","2","293","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C28 H19 Cd11 N8 O1.5 S8.25 Zn -","- C28 H19 Cd N8 O11 S Zn0.5 -","- C112 H76 Cd4 N32 O44 S4 Zn2 -","4","1","","Zhao, Li-Min; Zhang, Zhen-Jie; Zhang, Shi-Yuan; Cui, Ping; Shi, Wei; Zhao, Bin; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Metal‒organic frameworks based on transition-metal carboxylate clusters as secondary building units: synthesis, structures and properties","CrystEngComm","2011","13","3","907","","10.1039/c0ce00315h","","","0.71075","MoKα","","0.1193","0.1023","","","0.2532","0.2613","","","","","","1.657","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205273","25.0558","0.0007","6.88418","0.00018","11.5251","0.0003","90","","108.977","0.003","90","","1879.9","0.09","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C4 H7.5 Cd2.25 O8 S0.5 -","- C4 H7.5 Cd2.25 O8 S0.5 -","- C32 H60 Cd18 O64 S4 -","8","1","","Zhao, Li-Min; Zhang, Zhen-Jie; Zhang, Shi-Yuan; Cui, Ping; Shi, Wei; Zhao, Bin; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Metal‒organic frameworks based on transition-metal carboxylate clusters as secondary building units: synthesis, structures and properties","CrystEngComm","2011","13","3","907","","10.1039/c0ce00315h","","","0.71073","MoKα","","0.0266","0.0237","","","0.0564","0.0574","","","","","","1.057","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205274","17.181","0.003","9.5978","0.0011","24.677","0.003","90","","130.288","0.009","90","","3104","0.9","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C28 H19 N8 O11 S Zn1.5 -","- C28 H19 N8 O11 S Zn1.5 -","- C112 H76 N32 O44 S4 Zn6 -","4","1","","Zhao, Li-Min; Zhang, Zhen-Jie; Zhang, Shi-Yuan; Cui, Ping; Shi, Wei; Zhao, Bin; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Metal‒organic frameworks based on transition-metal carboxylate clusters as secondary building units: synthesis, structures and properties","CrystEngComm","2011","13","3","907","","10.1039/c0ce00315h","","","0.71073","MoKα","","0.129","0.0762","","","0.1777","0.195","","","","","","1.031","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205275","8.7544","0.0007","10.1037","0.0007","10.4206","0.0006","72.928","0.005","79.968","0.005","69.699","0.007","823.68","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H11 Cu3 O13 S -","- C10 H11 Cu3 O13 S -","- C20 H22 Cu6 O26 S2 -","2","1","","Zhao, Li-Min; Zhang, Zhen-Jie; Zhang, Shi-Yuan; Cui, Ping; Shi, Wei; Zhao, Bin; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Metal‒organic frameworks based on transition-metal carboxylate clusters as secondary building units: synthesis, structures and properties","CrystEngComm","2011","13","3","907","","10.1039/c0ce00315h","","","0.71073","MoKα","","0.0265","0.0227","","","0.0624","0.0632","","","","","","1.112","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205276","7.475","0.006","13.365","0.01","13.784","0.01","98.9","0.04","102.77","0.03","105.84","0.05","1257.6","1.7","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H25 Cl N4 O9 -","- C24 H25 Cl N4 O9 -","- C48 H50 Cl2 N8 O18 -","2","1","","Dey, Sandeep Kumar; Ojha, Bimlesh; Das, Gopal","A subtle interplay of C‒H hydrogen bonds in complexation of anions of varied dimensionality by a nitro functionalized tripodal podand","CrystEngComm","2011","13","1","269","","10.1039/c0ce00316f","","","0.71073","MoKα","","0.1069","0.0518","","","0.1101","0.124","","","","","","0.81","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205277","7.6818","0.0006","13.3835","0.0011","13.8995","0.0012","99.08","0.01","103.12","0.05","106.33","0.03","1297.5","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H25 Br N4 O9 -","- C24 H25 Br N4 O9 -","- C48 H50 Br2 N8 O18 -","2","1","","Dey, Sandeep Kumar; Ojha, Bimlesh; Das, Gopal","A subtle interplay of C‒H hydrogen bonds in complexation of anions of varied dimensionality by a nitro functionalized tripodal podand","CrystEngComm","2011","13","1","269","","10.1039/c0ce00316f","","","0.71073","MoKα","","0.0515","0.0344","","","0.0854","0.0928","","","","","","1.026","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205278","15.2304","0.0007","8.9608","0.0004","20.056","0.001","90","","101.073","0.003","90","","2686.2","0.2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H25 N5 O12 -","- C24 H25 N5 O12 -","- C96 H100 N20 O48 -","4","1","","Dey, Sandeep Kumar; Ojha, Bimlesh; Das, Gopal","A subtle interplay of C‒H hydrogen bonds in complexation of anions of varied dimensionality by a nitro functionalized tripodal podand","CrystEngComm","2011","13","1","269","","10.1039/c0ce00316f","","","0.71073","MoKα","","0.277","0.0611","","","0.0874","0.1162","","","","","","1.018","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205279","11.9923","0.0005","12.575","0.0006","18.074","0.0008","90","","103.045","0.002","90","","2655.3","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H25 Cl N4 O13 -","- C24 H25 Cl N4 O13 -","- C96 H100 Cl4 N16 O52 -","4","1","","Dey, Sandeep Kumar; Ojha, Bimlesh; Das, Gopal","A subtle interplay of C‒H hydrogen bonds in complexation of anions of varied dimensionality by a nitro functionalized tripodal podand","CrystEngComm","2011","13","1","269","","10.1039/c0ce00316f","","","0.71073","MoKα","","0.165","0.046","","","0.0848","0.0969","","","","","","0.999","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205280","6.834","0.0009","12.5542","0.0011","16.8656","0.0018","99.533","0.005","94.301","0.006","99.636","0.007","1399","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H25 F3 N4 O11 -","- C26 H25 F3 N4 O11 -","- C52 H50 F6 N8 O22 -","2","1","","Dey, Sandeep Kumar; Ojha, Bimlesh; Das, Gopal","A subtle interplay of C‒H hydrogen bonds in complexation of anions of varied dimensionality by a nitro functionalized tripodal podand","CrystEngComm","2011","13","1","269","","10.1039/c0ce00316f","","","0.71073","MoKα","","0.17","0.0688","","","0.0946","0.1081","","","","","","0.931","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205281","15.4544","0.0009","17.932","0.0009","18.607","0.001","116.352","0.003","94.269","0.005","106.342","0.003","4313.2","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H50 F6 N8 O20 Si -","- C48 H50 F6 N8 O20 Si -","- C144 H150 F18 N24 O60 Si3 -","3","1.5","","Dey, Sandeep Kumar; Ojha, Bimlesh; Das, Gopal","A subtle interplay of C‒H hydrogen bonds in complexation of anions of varied dimensionality by a nitro functionalized tripodal podand","CrystEngComm","2011","13","1","269","","10.1039/c0ce00316f","","","0.71073","MoKα","","0.1594","0.0935","","","0.2127","0.244","","","","","","1.161","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205282","4.871","0.002","6.398","0.001","28.42","0.006","90","","96.57","0.02","90","","879.9","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N,N'-(p-phenylenedimethylidyne)bis(2,3,4,5,6- pentafluoroaniline)","N,N'-(p-phenylenedimethylidyne)bis[2,3,4,5,6-pentafluoroaniline]","","- C20 H6 F10 N2 -","- C20 H6 F10 N2 -","- C40 H12 F20 N4 -","2","0.5","","Collas, Alain; De Borger, Roeland; Amanova, Tatyana; Blockhuys, Frank","Activation and de-activation of fluorine synthons by nitrogen substitution in fluorinated aza-distyrylbenzenes","CrystEngComm","2011","13","2","702","","10.1039/c0ce00319k","","","0.71073","MoKα","","0.0591","0.0331","","","0.0836","0.0963","","","","","","1.005","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205283","6.223","0.002","5.907","0.001","24.427","0.008","90","","103.8","0.03","90","","872","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Bis(2,3,4,5,6-pentafluorostyryl)-2,5-pyrazine","Bis(2,3,4,5,6-pentafluorostyryl)-2,5-pyrazine","","- C20 H6 F10 N2 -","- C20 H6 F10 N2 -","- C40 H12 F20 N4 -","2","0.5","","Collas, Alain; De Borger, Roeland; Amanova, Tatyana; Blockhuys, Frank","Activation and de-activation of fluorine synthons by nitrogen substitution in fluorinated aza-distyrylbenzenes","CrystEngComm","2011","13","2","702","","10.1039/c0ce00319k","","","0.71073","MoKα","","0.1477","0.0562","","","0.1361","0.1738","","","","","","1.043","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205284","5.846","0.002","7.929","0.002","10.331","0.003","109.78","0.02","102.35","0.03","96.13","0.03","431.7","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","N,N'-bis(2,3,4,5,6-pentafluorobenzylidene)-1,4- phenylenediamine","N,N'-bis(2,3,4,5,6-pentafluorobenzylidene)-1,4-phenylenediamine","","- C20 H6 F10 N2 -","- C20 H6 F10 N2 -","- C20 H6 F10 N2 -","1","0.5","","Collas, Alain; De Borger, Roeland; Amanova, Tatyana; Blockhuys, Frank","Activation and de-activation of fluorine synthons by nitrogen substitution in fluorinated aza-distyrylbenzenes","CrystEngComm","2011","13","2","702","","10.1039/c0ce00319k","","","0.71073","MoKα","","0.0701","0.0562","","","0.1554","0.1696","","","","","","1.047","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205285","20.249","0.004","21.122","0.004","22.153","0.004","90","","90","","90","","9475","3","293","2","293","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C50 H51 Bi Cu2 N10 O63 W18 -","- C50 H38 Bi Cu2 N10 O63 W18 -","- C200 H152 Bi4 Cu8 N40 O252 W72 -","4","0.5","","Wang, Bin; Hou, Guang-Feng; Meng, Rui-Qi; Bi, Li-Hua; Li, Bao; Wu, Li-Xin","A novel NbO-type framework constructed from Dawson-like tungstobismuthate and copper complex fragments","CrystEngComm","2011","13","5","1360","","10.1039/c0ce00327a","","","0.71073","MoKα","","0.0683","0.0557","","","0.1073","0.1114","","","","","","1.171","","","","has coordinates,has disorder","180383","2020-10-21","18:00:00",""
"7205286","9.6342","0.0014","12.1379","0.0017","13.3493","0.0019","90","","104.034","0.002","90","","1514.5","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H10 Cu N2 O6 -","- C17 H10 Cu N2 O6 -","- C68 H40 Cu4 N8 O24 -","4","1","","Lago, Ana Belén; Carballo, Rosa; Fernández-Hermida, Nuria; Vázquez-López, Ezequiel M.","Mononuclear discrete complexes and coordination polymers based on metal(ii) chelidonate complexes with aromatic N,N-chelating ligands","CrystEngComm","2011","13","3","941","","10.1039/c0ce00330a","","","0.71073","MoKα","","0.0901","0.0494","","","0.131","0.1538","","","","","","0.873","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205287","8.872","0.003","14.004","0.005","15.346","0.005","71.07","0.006","73.666","0.007","76.13","0.007","1707.4","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H20 N4 O15 Zn2 -","- C34 H20 N4 O15 Zn2 -","- C68 H40 N8 O30 Zn4 -","2","1","","Lago, Ana Belén; Carballo, Rosa; Fernández-Hermida, Nuria; Vázquez-López, Ezequiel M.","Mononuclear discrete complexes and coordination polymers based on metal(ii) chelidonate complexes with aromatic N,N-chelating ligands","CrystEngComm","2011","13","3","941","","10.1039/c0ce00330a","","","0.71073","MoKα","","0.0986","0.0627","","","0.1415","0.1635","","","","","","1.148","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205288","8.5318","0.0014","10.7273","0.0017","11.1772","0.0018","71.72","0.003","73.501","0.003","70.674","0.002","897.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H14 N2 O8 Zn -","- C19 H14 N2 O8 Zn -","- C38 H28 N4 O16 Zn2 -","2","1","","Lago, Ana Belén; Carballo, Rosa; Fernández-Hermida, Nuria; Vázquez-López, Ezequiel M.","Mononuclear discrete complexes and coordination polymers based on metal(ii) chelidonate complexes with aromatic N,N-chelating ligands","CrystEngComm","2011","13","3","941","","10.1039/c0ce00330a","","","0.71073","MoKα","","0.0795","0.0466","","","0.1057","0.123","","","","","","1.014","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205289","7.6821","0.0008","9.8561","0.001","13.5031","0.0014","84.562","0.002","80.973","0.002","76.465","0.002","979.89","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H18 N2 O10 Zn -","- C19 H16 N2 O10 Zn -","- C38 H32 N4 O20 Zn2 -","2","1","","Lago, Ana Belén; Carballo, Rosa; Fernández-Hermida, Nuria; Vázquez-López, Ezequiel M.","Mononuclear discrete complexes and coordination polymers based on metal(ii) chelidonate complexes with aromatic N,N-chelating ligands","CrystEngComm","2011","13","3","941","","10.1039/c0ce00330a","","","0.71073","MoKα","","0.0655","0.0448","","","0.1165","0.1398","","","","","","1.084","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205290","10.9267","0.0015","23.869","0.004","8.9977","0.0013","90","","113.911","0.003","90","","2145.3","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 N2 Ni O11 -","- C19 H10 N2 Ni O11 -","- C76 H40 N8 Ni4 O44 -","4","1","","Lago, Ana Belén; Carballo, Rosa; Fernández-Hermida, Nuria; Vázquez-López, Ezequiel M.","Mononuclear discrete complexes and coordination polymers based on metal(ii) chelidonate complexes with aromatic N,N-chelating ligands","CrystEngComm","2011","13","3","941","","10.1039/c0ce00330a","","","0.71073","MoKα","","0.142","0.0829","","","0.2139","0.2581","","","","","","1.046","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205291","12.634","0.002","12.944","0.002","19.357","0.003","90","","102.815","0.003","90","","3086.7","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H28.6 N4 O11.3 Zn -","- C31 H28.6 N4 O11.3 Zn -","- C124 H114.4 N16 O45.2 Zn4 -","4","1","","Lago, Ana Belén; Carballo, Rosa; Fernández-Hermida, Nuria; Vázquez-López, Ezequiel M.","Mononuclear discrete complexes and coordination polymers based on metal(ii) chelidonate complexes with aromatic N,N-chelating ligands","CrystEngComm","2011","13","3","941","","10.1039/c0ce00330a","","","0.71073","MoKα","","0.1651","0.0726","","","0.1822","0.2276","","","","","","0.991","","","","has coordinates","187625","2020-10-21","18:00:00",""
"7205292","13.8255","0.0008","6.7309","0.0004","23.8617","0.0015","90","","99.269","0.001","90","","2191.5","0.2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H48 N6 Ni2 O18 U -","- C40 H48 N6 Ni2 O18 U -","- C80 H96 N12 Ni4 O36 U2 -","2","0.5","","Bhattacharya, Sagarika; Mondal, Suraj; Sasmal, Sujit; Sparkes, Hazel A.; Howard, Judith A. K.; Nayak, Malabika; Mohanta, Sasankasekhar","Bis(nitrate)diaquauranyl(vi) synthon to generate [1 ×2 + 1 ×1] and [1 ×1 + 1 ×1] co-crystalized 3d⋯5f self-assemblies","CrystEngComm","2011","13","3","1029","","10.1039/c0ce00332h","","","0.71073","MoKα","","0.0413","0.0285","","","0.0621","0.0663","","","","","","1.042","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205293","9.3676","0.0003","11.8493","0.0004","11.8723","0.0003","70.658","0.003","88.787","0.002","78.815","0.003","1218.5","0.07","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H48 Cu2 N6 O18.68 U -","- C48 H48 Cu2 N6 O18.68 U -","- C48 H48 Cu2 N6 O18.68 U -","1","0.5","","Bhattacharya, Sagarika; Mondal, Suraj; Sasmal, Sujit; Sparkes, Hazel A.; Howard, Judith A. K.; Nayak, Malabika; Mohanta, Sasankasekhar","Bis(nitrate)diaquauranyl(vi) synthon to generate [1 ×2 + 1 ×1] and [1 ×1 + 1 ×1] co-crystalized 3d⋯5f self-assemblies","CrystEngComm","2011","13","3","1029","","10.1039/c0ce00332h","","","0.71073","MoKα","","0.02","0.0189","","","0.0433","0.0435","","","","","","1.017","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205294","9.5289","0.0003","11.6487","0.0004","11.8174","0.0004","70.475","0.003","88.426","0.002","77.801","0.003","1207.05","0.07","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H48 N6 Ni2 O18 U -","- C48 H48 N6 Ni2 O18 U -","- C48 H48 N6 Ni2 O18 U -","1","0.5","","Bhattacharya, Sagarika; Mondal, Suraj; Sasmal, Sujit; Sparkes, Hazel A.; Howard, Judith A. K.; Nayak, Malabika; Mohanta, Sasankasekhar","Bis(nitrate)diaquauranyl(vi) synthon to generate [1 ×2 + 1 ×1] and [1 ×1 + 1 ×1] co-crystalized 3d⋯5f self-assemblies","CrystEngComm","2011","13","3","1029","","10.1039/c0ce00332h","","","0.71073","MoKα","","0.0243","0.0216","","","0.0477","0.0481","","","","","","1.021","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205295","17.1119","0.0004","14.9193","0.0002","13.1779","0.0003","90","","118.496","0.003","90","","2956.7","0.13","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H32 Cu N4 O14 U -","- C24 H32 Cu N4 O14 U -","- C96 H128 Cu4 N16 O56 U4 -","4","0.5","","Bhattacharya, Sagarika; Mondal, Suraj; Sasmal, Sujit; Sparkes, Hazel A.; Howard, Judith A. K.; Nayak, Malabika; Mohanta, Sasankasekhar","Bis(nitrate)diaquauranyl(vi) synthon to generate [1 ×2 + 1 ×1] and [1 ×1 + 1 ×1] co-crystalized 3d⋯5f self-assemblies","CrystEngComm","2011","13","3","1029","","10.1039/c0ce00332h","","","0.71073","MoKα","","0.0277","0.0193","","","0.0405","0.0414","","","","","","0.911","","","","has coordinates,has disorder","180383","2020-10-21","18:00:00",""
"7205296","6.1645","0.0012","10.074","0.002","13.503","0.003","68.951","0.002","80.872","0.002","76.667","0.002","758.8","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H30 N4 Nd2 O25 -","- C14 H30 N4 Nd2 O25 -","- C14 H30 N4 Nd2 O25 -","1","0.5","","Cai, Bin; Yang, Ping; Dai, Jing-Wei; Wu, Jian-Zhong","Tuning the porosity of lanthanide MOFs with 2,5-pyrazinedicarboxylate and the first in situ hydrothermal carboxyl transfer","CrystEngComm","2011","13","3","985","","10.1039/c0ce00340a","","","0.71073","MoKα","","0.036","0.0338","","","0.0887","0.0902","","","","","","1.036","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205297","6.1139","0.0012","9.983","0.0019","13.413","0.003","68.931","0.002","80.96","0.002","76.689","0.002","740.9","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H30 N4 O25 Sm2 -","- C14 H30 N4 O25 Sm2 -","- C14 H30 N4 O25 Sm2 -","1","0.5","","Cai, Bin; Yang, Ping; Dai, Jing-Wei; Wu, Jian-Zhong","Tuning the porosity of lanthanide MOFs with 2,5-pyrazinedicarboxylate and the first in situ hydrothermal carboxyl transfer","CrystEngComm","2011","13","3","985","","10.1039/c0ce00340a","","","0.71073","MoKα","","0.0464","0.0374","","","0.0839","0.0867","","","","","","0.987","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205298","6.1009","0.0008","9.9758","0.0016","13.3825","0.0018","68.871","0.001","81.033","0.002","76.75","0.002","737.09","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H30 Eu2 N4 O25 -","- C14 H30 Eu2 N4 O25 -","- C14 H30 Eu2 N4 O25 -","1","0.5","","Cai, Bin; Yang, Ping; Dai, Jing-Wei; Wu, Jian-Zhong","Tuning the porosity of lanthanide MOFs with 2,5-pyrazinedicarboxylate and the first in situ hydrothermal carboxyl transfer","CrystEngComm","2011","13","3","985","","10.1039/c0ce00340a","","","0.71073","MoKα","","0.0376","0.032","","","0.072","0.0742","","","","","","1.081","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205299","6.0922","0.0005","9.9633","0.0009","13.3598","0.0012","68.853","0.001","81.104","0.001","76.848","0.001","734.12","0.11","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H30 Gd2 N4 O25 -","- C14 H30 Gd2 N4 O25 -","- C14 H30 Gd2 N4 O25 -","1","0.5","","Cai, Bin; Yang, Ping; Dai, Jing-Wei; Wu, Jian-Zhong","Tuning the porosity of lanthanide MOFs with 2,5-pyrazinedicarboxylate and the first in situ hydrothermal carboxyl transfer","CrystEngComm","2011","13","3","985","","10.1039/c0ce00340a","","","0.71073","MoKα","","0.0221","0.0209","","","0.0526","0.0533","","","","","","1.021","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205300","6.078","0.003","9.95","0.005","13.337","0.007","68.823","0.006","81.142","0.007","76.813","0.007","730","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H30 N4 O25 Tb2 -","- C14 H30 N4 O25 Tb2 -","- C14 H30 N4 O25 Tb2 -","1","0.5","","Cai, Bin; Yang, Ping; Dai, Jing-Wei; Wu, Jian-Zhong","Tuning the porosity of lanthanide MOFs with 2,5-pyrazinedicarboxylate and the first in situ hydrothermal carboxyl transfer","CrystEngComm","2011","13","3","985","","10.1039/c0ce00340a","","","0.71073","MoKα","","0.0798","0.0651","","","0.156","0.1651","","","","","","0.98","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205301","6.0535","0.0006","9.9159","0.0009","13.2903","0.0012","68.832","0.001","81.273","0.001","76.875","0.001","722.36","0.12","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H30 Dy2 N4 O25 -","- C14 H30 Dy2 N4 O25 -","- C14 H30 Dy2 N4 O25 -","1","0.5","","Cai, Bin; Yang, Ping; Dai, Jing-Wei; Wu, Jian-Zhong","Tuning the porosity of lanthanide MOFs with 2,5-pyrazinedicarboxylate and the first in situ hydrothermal carboxyl transfer","CrystEngComm","2011","13","3","985","","10.1039/c0ce00340a","","","0.71073","MoKα","","0.0367","0.0329","","","0.0718","0.073","","","","","","0.973","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205302","5.995","0.0005","19.0242","0.0016","12.1311","0.0008","90","","119.201","0.003","90","","1207.72","0.17","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 Eu N3 O9 -","- C9 H9 Eu N3 O9 -","- C36 H36 Eu4 N12 O36 -","4","1","","Cai, Bin; Yang, Ping; Dai, Jing-Wei; Wu, Jian-Zhong","Tuning the porosity of lanthanide MOFs with 2,5-pyrazinedicarboxylate and the first in situ hydrothermal carboxyl transfer","CrystEngComm","2011","13","3","985","","10.1039/c0ce00340a","","","0.71073","MoKα","","0.0235","0.0208","","","0.0495","0.0506","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205303","6.002","0.002","19.161","0.007","12.255","0.004","90","","118.793","0.013","90","","1235.1","0.7","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 N3 O9 Pr -","- C9 H9 N3 O9 Pr -","- C36 H36 N12 O36 Pr4 -","4","1","","Cai, Bin; Yang, Ping; Dai, Jing-Wei; Wu, Jian-Zhong","Tuning the porosity of lanthanide MOFs with 2,5-pyrazinedicarboxylate and the first in situ hydrothermal carboxyl transfer","CrystEngComm","2011","13","3","985","","10.1039/c0ce00340a","","","0.71073","MoKα","","0.0528","0.0468","","","0.1113","0.114","","","","","","1.085","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205304","6.0008","0.0004","19.0754","0.0014","12.1796","0.0007","90","","119.05","0.003","90","","1218.78","0.14","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 N3 O9 Sm -","- C9 H9 N3 O9 Sm -","- C36 H36 N12 O36 Sm4 -","4","1","","Cai, Bin; Yang, Ping; Dai, Jing-Wei; Wu, Jian-Zhong","Tuning the porosity of lanthanide MOFs with 2,5-pyrazinedicarboxylate and the first in situ hydrothermal carboxyl transfer","CrystEngComm","2011","13","3","985","","10.1039/c0ce00340a","","","0.71073","MoKα","","0.0299","0.0275","","","0.0673","0.0685","","","","","","1.018","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205305","5.9955","0.0014","18.987","0.004","12.101","0.003","90","","119.371","0.009","90","","1200.5","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 N3 O9 Tb -","- C9 H9 N3 O9 Tb -","- C36 H36 N12 O36 Tb4 -","4","1","","Cai, Bin; Yang, Ping; Dai, Jing-Wei; Wu, Jian-Zhong","Tuning the porosity of lanthanide MOFs with 2,5-pyrazinedicarboxylate and the first in situ hydrothermal carboxyl transfer","CrystEngComm","2011","13","3","985","","10.1039/c0ce00340a","","","0.71073","MoKα","","0.0324","0.0281","","","0.0641","0.066","","","","","","1.031","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205306","13.191","0.0008","10.3449","0.0005","7.4635","0.0004","90","","102.23","0.006","90","","995.35","0.1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(adipic acid).(nicotinic acid hydrazide)2","(adipic acid).(nicotinic acid hydrazide)2","","- C18 H24 N6 O6 -","- C18 H24 N6 O6 -","- C36 H48 N12 O12 -","2","0.5","","Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker","Covalent assistance to supramolecular synthesis: directing the supramolecular assembly of co-crystals by in situ modification of hydrogen bonding functionality","CrystEngComm","2011","13","1","55","","10.1039/c0ce00347f","","","0.71073","MoKα","","0.0618","0.0502","","","0.1285","0.1317","","","","","","1.21","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205307","5.088","0.0002","38.997","0.0016","6.347","0.0002","90","","94.128","0.004","90","","1256.08","0.08","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(adipic acid).((N'-(propan-2-ylidene)nicotinohydrazide)2","(adipic acid).((N'-(propan-2-ylidene)nicotinohydrazide)2","","- C12 H16 N3 O3 -","- C12 H16 N3 O3 -","- C48 H64 N12 O12 -","4","1","","Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker","Covalent assistance to supramolecular synthesis: directing the supramolecular assembly of co-crystals by in situ modification of hydrogen bonding functionality","CrystEngComm","2011","13","1","55","","10.1039/c0ce00347f","","","0.71073","MoKα","","0.0756","0.0664","","","0.1253","0.1278","","","","","","1.19","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205308","8.083","0.0004","26.586","0.001","8.097","0.0004","90","","104.449","0.004","90","","1684.97","0.14","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(succinic acid).(nicotinic acid hydrazide)2","(succinic acid).(nicotinic acid hydrazide)2","","- C16 H20 N6 O6 -","- C16 H20 N6 O6 -","- C64 H80 N24 O24 -","4","1","","Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker","Covalent assistance to supramolecular synthesis: directing the supramolecular assembly of co-crystals by in situ modification of hydrogen bonding functionality","CrystEngComm","2011","13","1","55","","10.1039/c0ce00347f","","","0.71073","MoKα","","0.0489","0.0359","","","0.0904","0.0946","","","","","","1.027","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205309","5.0707","0.0001","44.5556","0.0008","6.3992","0.0001","90","","94.587","0.002","90","","1441.13","0.04","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(sebacic acid).(N'-(propan-2-ylidene)nicotinohydrazide)2","(sebacic acid).(N'-(propan-2-ylidene)nicotinohydrazide)2","","- C28 H40 N6 O6 -","- C28 H40 N6 O6 -","- C56 H80 N12 O12 -","2","0.5","","Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker","Covalent assistance to supramolecular synthesis: directing the supramolecular assembly of co-crystals by in situ modification of hydrogen bonding functionality","CrystEngComm","2011","13","1","55","","10.1039/c0ce00347f","","","0.71073","MoKα","","0.0834","0.0806","","","0.1912","0.1933","","","","","","0.995","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205310","12.876","0.003","13.256","0.003","14.198","0.003","66.67","0.03","67.42","0.03","75.36","0.03","2040.1","1","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C54 H50 Cu3 Mo8 N12 O44 P V6 -","- C54 H46 Cu3 Mo8 N12 O44 P V6 -","- C54 H46 Cu3 Mo8 N12 O44 P V6 -","1","0.5","","Meng, Jing-Xin; Li, Yang-Guang; Fu, Hai; Wang, Xiao-Lan; Wang, En-Bo","Controllable self-assembly of two novel metal‒organic frameworks based on different tetradentate in situ ligands","CrystEngComm","2011","13","2","649","","10.1039/c0ce00356e","","","0.71073","MoKα","","0.1142","0.0695","","","0.1549","0.1778","","","","","","1.065","","","","has coordinates,has disorder","180384","2020-10-21","18:00:00",""
"7205311","11.366","0.002","11.188","0.002","19.927","0.004","90","","90","","90","","2534","0.8","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C26 H21 Cl2 Cu2 N4 O -","- C26 H21 Cl2 Cu2 N4 O -","- C104 H84 Cl8 Cu8 N16 O4 -","4","0.5","","Meng, Jing-Xin; Li, Yang-Guang; Fu, Hai; Wang, Xiao-Lan; Wang, En-Bo","Controllable self-assembly of two novel metal‒organic frameworks based on different tetradentate in situ ligands","CrystEngComm","2011","13","2","649","","10.1039/c0ce00356e","","","0.71073","MoKα","","0.1092","0.0671","","","0.1763","0.2062","","","","","","1.011","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205312","14.5138","0.0011","17.2793","0.0013","25.1262","0.0016","90","","107.933","0.004","90","","5995.2","0.8","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C59 H52 Ag4 N12 O9 -","- C59 H52 Ag4 N12 O9 -","- C236 H208 Ag16 N48 O36 -","4","1","","Cheng, Xian; Liu, Tao; Duan, Xianying; Wang, Fangming; Meng, Qingjin; Lu, Changsheng","A novel 2D coordination polymer with unprecedented [Ag]7 chains and two 3D silver‒organic frameworks constructed by methylenediisophthalic acid (H4MDIP) with strong Ag‒Ag interactions","CrystEngComm","2011","13","5","1314","","10.1039/c0ce00360c","","","0.71073","MoKα","","0.0944","0.0508","","","0.0818","0.0879","","","","","","1.05","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205313","13.85","0.0012","15.0646","0.0013","21.0658","0.0018","90","","90","","90","","4395.3","0.7","291","2","291","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C90 H80 Ag4 N16 O18 -","- C90 H80 Ag4 N16 O18 -","- C180 H160 Ag8 N32 O36 -","2","0.25","","Cheng, Xian; Liu, Tao; Duan, Xianying; Wang, Fangming; Meng, Qingjin; Lu, Changsheng","A novel 2D coordination polymer with unprecedented [Ag]7 chains and two 3D silver‒organic frameworks constructed by methylenediisophthalic acid (H4MDIP) with strong Ag‒Ag interactions","CrystEngComm","2011","13","5","1314","","10.1039/c0ce00360c","","","0.71073","MoKα","","0.1074","0.0631","","","0.1335","0.1437","","","","","","1.02","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205314","12.561","0.002","13.1448","0.0012","18.7697","0.0018","84.391","0.002","83.666","0.001","76.304","0.003","2984.4","0.6","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H43 Ag8 N8 O16 -","- C62 H43 Ag8 N8 O16 -","- C124 H86 Ag16 N16 O32 -","2","1","","Cheng, Xian; Liu, Tao; Duan, Xianying; Wang, Fangming; Meng, Qingjin; Lu, Changsheng","A novel 2D coordination polymer with unprecedented [Ag]7 chains and two 3D silver‒organic frameworks constructed by methylenediisophthalic acid (H4MDIP) with strong Ag‒Ag interactions","CrystEngComm","2011","13","5","1314","","10.1039/c0ce00360c","","","0.71073","MoKα","","0.0871","0.0582","","","0.1224","0.1287","","","","","","1.062","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205315","7.2871","0.0015","7.9395","0.0016","8.5516","0.0017","117.58","0.03","95.8","0.03","93.48","0.03","433","0.2","118","2","118","2","","","","","","","","5","P -1","-P 1","2","2-chloro-4-nitrobenzoic acid hydrate","2-chloro-4-nitrobenzoic acid hydrate","","- C7 H6 Cl N O5 -","- C7 H6 Cl N O5 -","- C14 H12 Cl2 N2 O10 -","2","1","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","Solvates and polymorphic phase transformations of 2-chloro-4-nitrobenzoic acid","CrystEngComm","2011","13","3","1037","","10.1039/c0ce00361a","","","0.71073","MoKα","","0.0292","0.0287","","","0.0736","0.0741","","","","","","1.082","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205316","6.918","0.003","8.368","0.003","9.714","0.003","106.777","0.002","93.774","0.004","108.433","0.005","503.1","0.3","136","2","136","2","","","","","","","","5","P -1","-P 1","2","1,4-dioxane solvate of 2-chloro-4-nitrobenzoic acid","1,4-dioxane solvate of 2-chloro-4-nitrobenzoic acid","","- C9 H8 Cl N O5 -","- C9 H8 Cl N O5 -","- C18 H16 Cl2 N2 O10 -","2","1","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","Solvates and polymorphic phase transformations of 2-chloro-4-nitrobenzoic acid","CrystEngComm","2011","13","3","1037","","10.1039/c0ce00361a","","","0.71075","MoKα","","0.0523","0.0483","","","0.1188","0.1221","","","","","","1.142","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205317","5.497","0.003","10.408","0.004","10.594","0.004","74.095","0.015","81.029","0.012","85.487","0.016","575.4","0.4","110","2","110","2","","","","","","","","6","P -1","-P 1","2","DMSO solvate of 2-chloro-4-nitrobenzoic acid","DMSO solvate of 2-chloro-4-nitrobenzoic acid","","- C9 H10 Cl N O5 S -","- C9 H10 Cl N O5 S -","- C18 H20 Cl2 N2 O10 S2 -","2","1","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","Solvates and polymorphic phase transformations of 2-chloro-4-nitrobenzoic acid","CrystEngComm","2011","13","3","1037","","10.1039/c0ce00361a","","","0.71075","MoKα","","0.0502","0.0485","","","0.1256","0.1269","","","","","","1.214","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205318","5.8156","0.0012","10.387","0.002","12.207","0.002","83.67","0.03","77.63","0.03","81.03","0.03","709.2","0.3","110","2","110","2","","","","","","","","5","P -1","-P 1","2","acetophenone solvate of 2-chloro-4-nitrobenzoic acid","acetophenone solvate of 2-chloro-4-nitrobenzoic acid","","- C15 H12 Cl N O5 -","- C15 H12 Cl N O5 -","- C30 H24 Cl2 N2 O10 -","2","1","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","Solvates and polymorphic phase transformations of 2-chloro-4-nitrobenzoic acid","CrystEngComm","2011","13","3","1037","","10.1039/c0ce00361a","","","0.71073","MoKα","","0.0432","0.04","","","0.1076","0.1171","","","","","","1.15","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205319","10.79","0.002","11.767","0.002","8.9666","0.0018","90","","90.71","0.03","90","","1138.4","0.4","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","p-xylene solvate of 2-chloro-4-nitrobenzoic acid","p-xylene solvate of 2-chloro-4-nitrobenzoic acid","","- C22 H18 Cl2 N2 O8 -","- C22 H18 Cl2 N2 O8 -","- C44 H36 Cl4 N4 O16 -","2","0.5","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","Solvates and polymorphic phase transformations of 2-chloro-4-nitrobenzoic acid","CrystEngComm","2011","13","3","1037","","10.1039/c0ce00361a","","","0.71073","MoKα","","0.0749","0.0669","","","0.174","0.1861","","","","","","1.196","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205320","23.088","0.005","12.018","0.002","8.9206","0.0018","90","","110.29","0.03","90","","2321.6","0.9","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","mesitylene solvate of 2-chloro-4-nitrobenzoic acid","mesitylene solvate of 2-chloro-4-nitrobenzoic acid","","- C23 H20 Cl2 N2 O8 -","- C23 H20 Cl2 N2 O8 -","- C92 H80 Cl8 N8 O32 -","4","0.5","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","Solvates and polymorphic phase transformations of 2-chloro-4-nitrobenzoic acid","CrystEngComm","2011","13","3","1037","","10.1039/c0ce00361a","","","0.71073","MoKα","","0.0594","0.052","","","0.1381","0.1511","","","","","","1.183","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205321","8.3337","0.0003","14.6878","0.0004","18.7462","0.0005","90","","90","","90","","2294.6","0.12","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","CROWN ETHER COMPLEX","","","- C20 H29 Cs O11 -","- C20 H29 Cs O11 -","- C80 H116 Cs4 O44 -","4","1","","Braga, Dario; D'Agostino, Simone; Grepioni, Fabrizia","Surprising robustness of a unit cell: isomorphism in caesium 18-crown[6] complexes with aromatic polycarboxylate anions","CrystEngComm","2011","13","5","1366","","10.1039/c0ce00363h","","","0.71073","MoKα","","0.0744","0.0328","","","0.0426","0.0472","","","","","","0.698","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205322","8.2066","0.0002","15.3598","0.0004","18.9926","0.0004","90","","90","","90","","2394.05","0.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","CROWN ETHER COMPLEX","","","- C21 H31 Cs O10 -","- C21 H31 Cs O10 -","- C84 H124 Cs4 O40 -","4","1","","Braga, Dario; D'Agostino, Simone; Grepioni, Fabrizia","Surprising robustness of a unit cell: isomorphism in caesium 18-crown[6] complexes with aromatic polycarboxylate anions","CrystEngComm","2011","13","5","1366","","10.1039/c0ce00363h","","","0.71073","MoKα","","0.0518","0.0361","","","0.0515","0.0538","","","","","","0.87","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205323","8.2041","0.0002","15.3854","0.0004","19.3495","0.0006","90","","90","","90","","2442.36","0.12","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","CROWN ETHER COMPLEX","","","- C20 H28 Br Cs O10 -","- C20 H28 Br Cs O10 -","- C80 H112 Br4 Cs4 O40 -","4","1","","Braga, Dario; D'Agostino, Simone; Grepioni, Fabrizia","Surprising robustness of a unit cell: isomorphism in caesium 18-crown[6] complexes with aromatic polycarboxylate anions","CrystEngComm","2011","13","5","1366","","10.1039/c0ce00363h","","","0.71073","MoKα","","0.0633","0.0479","","","0.1189","0.1238","","","","","","1.028","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205324","8.1436","0.0002","14.9847","0.0002","20.1066","0.0004","90","","90","","90","","2453.6","0.08","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","CROWN ETHER COMPLEX","","","- C21 H31 Cs O11 -","- C21 H31 Cs O11 -","- C84 H124 Cs4 O44 -","4","1","","Braga, Dario; D'Agostino, Simone; Grepioni, Fabrizia","Surprising robustness of a unit cell: isomorphism in caesium 18-crown[6] complexes with aromatic polycarboxylate anions","CrystEngComm","2011","13","5","1366","","10.1039/c0ce00363h","","","0.71073","MoKα","","0.0337","0.027","","","0.0517","0.0529","","","","","","0.975","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205325","8.1755","0.0002","15.5119","0.0003","19.1951","0.0003","90","","90","","90","","2434.28","0.08","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","CROWN ETHER COMPLEX","","","- C20 H28 Cs N O12 -","- C20 H28 Cs N O12 -","- C80 H112 Cs4 N4 O48 -","4","1","","Braga, Dario; D'Agostino, Simone; Grepioni, Fabrizia","Surprising robustness of a unit cell: isomorphism in caesium 18-crown[6] complexes with aromatic polycarboxylate anions","CrystEngComm","2011","13","5","1366","","10.1039/c0ce00363h","","","0.71073","MoKα","","0.0392","0.0295","","","0.041","0.0422","","","","","","0.895","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205326","12.4406","0.0003","16.237","0.0005","14.1394","0.0004","90","","98.318","0.002","90","","2826.09","0.14","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","CROWN ETHER COMPLEX","","","- C24 H37 Cs O10 -","- C24 H37 Cs O10 -","- C96 H148 Cs4 O40 -","4","1","","Braga, Dario; D'Agostino, Simone; Grepioni, Fabrizia","Surprising robustness of a unit cell: isomorphism in caesium 18-crown[6] complexes with aromatic polycarboxylate anions","CrystEngComm","2011","13","5","1366","","10.1039/c0ce00363h","","","0.71073","MoKα","","0.0684","0.0407","","","0.0901","0.0955","","","","","","0.939","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205327","7.8327","0.0016","19.556","0.004","12.624","0.003","90","","97.82","0.03","90","","1915.7","0.7","164","2","164","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C30 H34 Cu2 F6 N6 O10 S2 -","- C30 H34 Cu2 F6 N6 O10 S2 -","- C60 H68 Cu4 F12 N12 O20 S4 -","2","1","","Phan, Ngoc Hien; Halasz, Ivan; Opahle, Ingo; Alig, Edith; Fink, Lothar; Bats, Jan W.; Cong, Pham Thanh; Lerner, Hans-Wolfram; Sarkar, Biprajit; Wolf, Bernd; Jeschke, Harald O.; Lang, Michael; Valentí, Roser; Dinnebier, Robert; Wagner, Matthias","Thermally induced crystal-to-crystal transformations accompanied by changes in the magnetic properties of a CuII-p-hydroquinonate polymer","CrystEngComm","2011","13","2","391","","10.1039/c0ce00367k","","","0.71073","MoKα","","0.1413","0.0783","","","0.1564","0.1743","","","","","","0.998","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205328","10.92547","0.00017","7.96493","0.00012","18.36893","0.0003","90","","116.075","0.00084","90","","1435.78","0.04","293","","293","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Cu2 F6 N4 O8 S2 -","- C24 H20 Cu2 F6 N4 O8 S2 -","- C48 H40 Cu4 F12 N8 O16 S4 -","2","0.5","","Phan, Ngoc Hien; Halasz, Ivan; Opahle, Ingo; Alig, Edith; Fink, Lothar; Bats, Jan W.; Cong, Pham Thanh; Lerner, Hans-Wolfram; Sarkar, Biprajit; Wolf, Bernd; Jeschke, Harald O.; Lang, Michael; Valentí, Roser; Dinnebier, Robert; Wagner, Matthias","Thermally induced crystal-to-crystal transformations accompanied by changes in the magnetic properties of a CuII-p-hydroquinonate polymer","CrystEngComm","2011","13","2","391","","10.1039/c0ce00367k","powder diffraction","","1.54059","CuKα_1","","","","","","","","0.0125","","1.78","","","","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205329","23.374","0.004","27.595","0.004","13.619","0.002","90","","90","","90","","8784","2","298","2","298","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C21 H18 Cd N5 O6 -","- C21 H18 Cd N5 O6 -","- C336 H288 Cd16 N80 O96 -","16","1","","Zheng, Sheng-Run; Cai, Song-Liang; Pan, Mei; Fan, Jun; Xiao, Tian-Tian; Zhang, Wei-Guang","The construction of coordination networks based on imidazole-based dicarboxylate ligand containing hydroxymethyl group","CrystEngComm","2011","13","3","883","","10.1039/c0ce00369g","","","0.71073","MoKα","","0.0326","0.0282","","","0.067","0.0697","","","","","","0.949","","","","has coordinates,has disorder","180384","2020-10-21","18:00:00",""
"7205330","8.444","0.005","9.314","0.005","18.782","0.011","90","","95.106","0.007","90","","1471.3","1.5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H6 Fe2 N4 O10 -","- C12 H6 Fe2 N4 O10 -","- C48 H24 Fe8 N16 O40 -","4","0.5","","Zheng, Sheng-Run; Cai, Song-Liang; Pan, Mei; Fan, Jun; Xiao, Tian-Tian; Zhang, Wei-Guang","The construction of coordination networks based on imidazole-based dicarboxylate ligand containing hydroxymethyl group","CrystEngComm","2011","13","3","883","","10.1039/c0ce00369g","","","0.71073","MoKα","","0.0695","0.0525","","","0.1606","0.173","","","","","","1.095","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205331","9.7125","0.0016","18.472","0.003","11.85","0.002","90","","94.31","0.002","90","","2120","0.6","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 Cu2 N4 O11.5 -","- C16 H16 Cu2 N4 O11.5 -","- C64 H64 Cu8 N16 O46 -","4","1","","Zheng, Sheng-Run; Cai, Song-Liang; Pan, Mei; Fan, Jun; Xiao, Tian-Tian; Zhang, Wei-Guang","The construction of coordination networks based on imidazole-based dicarboxylate ligand containing hydroxymethyl group","CrystEngComm","2011","13","3","883","","10.1039/c0ce00369g","","","0.71073","MoKα","","0.0495","0.0394","","","0.1179","0.1262","","","","","","0.944","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7205332","12.7702","0.0016","8.2854","0.001","11.1489","0.0014","90","","95.42","0.01","90","","1174.3","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H9 As O9 S Zn2 -","- C6 H9 As O9 S Zn2 -","- C24 H36 As4 O36 S4 Zn8 -","4","1","","Yi, Fei-Yan; Xu, Hai-Bing; Zhou, Tian-Hua; Mao, Jiang-Gao","Towards rational design of zinc(ii) and cadmium(ii) sulfonate-arsonates with low dimensional aggregations","CrystEngComm","2011","13","5","1480","","10.1039/c0ce00375a","","","0.71073","MoKα","","0.0407","0.0339","","","0.0843","0.0887","","","","","","1.029","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205333","12.5726","0.0008","13.0537","0.0007","14.0286","0.0011","90","","96.83","0.005","90","","2286","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 As2 Cd3 O16 S2 -","- C12 H16 As2 Cd3 O15.992 S1.996 -","- C48 H64 As8 Cd12 O63.968 S7.984 -","4","1","","Yi, Fei-Yan; Xu, Hai-Bing; Zhou, Tian-Hua; Mao, Jiang-Gao","Towards rational design of zinc(ii) and cadmium(ii) sulfonate-arsonates with low dimensional aggregations","CrystEngComm","2011","13","5","1480","","10.1039/c0ce00375a","","","0.71073","MoKα","","0.0727","0.0514","","","0.1023","0.1122","","","","","","1.08","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205334","10.32","0.003","14.576","0.004","20.283","0.006","79.202","0.007","83.149","0.006","88.874","0.008","2975.6","1.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H54 As2 N8 O18 S2 Zn2 -","- C52 H52 As2 N8 O18 S2 Zn2 -","- C104 H104 As4 N16 O36 S4 Zn4 -","2","1","","Yi, Fei-Yan; Xu, Hai-Bing; Zhou, Tian-Hua; Mao, Jiang-Gao","Towards rational design of zinc(ii) and cadmium(ii) sulfonate-arsonates with low dimensional aggregations","CrystEngComm","2011","13","5","1480","","10.1039/c0ce00375a","","","0.71073","MoKα","","0.1028","0.0665","","","0.1746","0.2012","","","","","","1.035","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205335","8.191","0.005","20.656","0.012","21.283","0.013","90","","94.942","0.013","90","","3588","4","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H26 As2 Cd2 N4 O12 S2 -","- C32 H26 As2 Cd2 N4 O12 S2 -","- C128 H104 As8 Cd8 N16 O48 S8 -","4","1","","Yi, Fei-Yan; Xu, Hai-Bing; Zhou, Tian-Hua; Mao, Jiang-Gao","Towards rational design of zinc(ii) and cadmium(ii) sulfonate-arsonates with low dimensional aggregations","CrystEngComm","2011","13","5","1480","","10.1039/c0ce00375a","","","0.71073","MoKα","","0.1116","0.08","","","0.1569","0.1746","","","","","","1.155","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205336","19.161","0.006","14.429","0.004","14.001","0.004","90","","90.449","0.004","90","","3871","2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H30 As2 N4 O14 S2 Zn2 -","- C36 H30 As2 N4 O14 S2 Zn2 -","- C144 H120 As8 N16 O56 S8 Zn8 -","4","0.5","","Yi, Fei-Yan; Xu, Hai-Bing; Zhou, Tian-Hua; Mao, Jiang-Gao","Towards rational design of zinc(ii) and cadmium(ii) sulfonate-arsonates with low dimensional aggregations","CrystEngComm","2011","13","5","1480","","10.1039/c0ce00375a","","","0.71073","MoKα","","0.03","0.0269","","","0.0642","0.066","","","","","","1.059","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205337","8.003","0.003","11.771","0.004","21.224","0.009","81.526","0.009","81.531","0.009","75.679","0.01","1903.2","1.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H56 As4 Cd4 N8 O26 S4 -","- C72 H56 As4 Cd4 N8 O26 S4 -","- C72 H56 As4 Cd4 N8 O26 S4 -","1","0.5","","Yi, Fei-Yan; Xu, Hai-Bing; Zhou, Tian-Hua; Mao, Jiang-Gao","Towards rational design of zinc(ii) and cadmium(ii) sulfonate-arsonates with low dimensional aggregations","CrystEngComm","2011","13","5","1480","","10.1039/c0ce00375a","","","0.71073","MoKα","","0.1098","0.0645","","","0.1334","0.1533","","","","","","0.88","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205338","8.631","0.007","11.609","0.007","11.754","0.007","60.83","0.03","73.29","0.04","75.08","0.04","975.2","1.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H34 As2 Cd2 N4 O14 S2 -","- C36 H30 As2 Cd2 N4 O14 S2 -","- C36 H30 As2 Cd2 N4 O14 S2 -","1","0.5","","Yi, Fei-Yan; Xu, Hai-Bing; Zhou, Tian-Hua; Mao, Jiang-Gao","Towards rational design of zinc(ii) and cadmium(ii) sulfonate-arsonates with low dimensional aggregations","CrystEngComm","2011","13","5","1480","","10.1039/c0ce00375a","","","0.71073","MoKα","","0.0988","0.0787","","","0.1591","0.1742","","","","","","0.923","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205339","8.393","0.002","9.906","0.003","13.577","0.004","88.783","0.009","74.243","0.006","75.784","0.008","1051.9","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H32 As2 N6 O12 S2 Zn2 -","- C42 H32 As2 N6 O12 S2 Zn2 -","- C42 H32 As2 N6 O12 S2 Zn2 -","1","0.5","","Yi, Fei-Yan; Xu, Hai-Bing; Zhou, Tian-Hua; Mao, Jiang-Gao","Towards rational design of zinc(ii) and cadmium(ii) sulfonate-arsonates with low dimensional aggregations","CrystEngComm","2011","13","5","1480","","10.1039/c0ce00375a","","","0.71073","MoKα","","0.0579","0.0389","","","0.0801","0.0885","","","","","","1.033","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205340","8.43","0.003","11.21","0.004","13.47","0.005","91.35","0.002","107.89","0.005","111.45","0.004","1114.1","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H36 As2 Cd2 N6 O14 S2 -","- C42 H36 As2 Cd2 N6 O14 S2 -","- C42 H36 As2 Cd2 N6 O14 S2 -","1","0.5","","Yi, Fei-Yan; Xu, Hai-Bing; Zhou, Tian-Hua; Mao, Jiang-Gao","Towards rational design of zinc(ii) and cadmium(ii) sulfonate-arsonates with low dimensional aggregations","CrystEngComm","2011","13","5","1480","","10.1039/c0ce00375a","","","0.71073","MoKα","","0.0273","0.0226","","","0.0584","0.0602","","","","","","1.061","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205341","14.0169","0.0011","8.0918","0.0005","15.4783","0.0014","90","","93.599","0.006","90","","1752.1","0.2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 As N2 O6 S Zn -","- C16 H13 As N2 O6 S Zn -","- C64 H52 As4 N8 O24 S4 Zn4 -","4","1","","Yi, Fei-Yan; Xu, Hai-Bing; Zhou, Tian-Hua; Mao, Jiang-Gao","Towards rational design of zinc(ii) and cadmium(ii) sulfonate-arsonates with low dimensional aggregations","CrystEngComm","2011","13","5","1480","","10.1039/c0ce00375a","","","0.71073","MoKα","","0.0399","0.0324","","","0.0727","0.0766","","","","","","1.065","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205342","17.88","0.003","10.4331","0.0017","21.17","0.003","90","","90","","90","","3949.1","1.1","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C16 H17 As N2 O8 S Zn -","- C16 H17 As N2 O8 S Zn -","- C128 H136 As8 N16 O64 S8 Zn8 -","8","2","","Yi, Fei-Yan; Xu, Hai-Bing; Zhou, Tian-Hua; Mao, Jiang-Gao","Towards rational design of zinc(ii) and cadmium(ii) sulfonate-arsonates with low dimensional aggregations","CrystEngComm","2011","13","5","1480","","10.1039/c0ce00375a","","","0.71073","MoKα","","0.0376","0.033","","","0.0586","0.0609","","","","","","1.044","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205343","12.648","0.006","8.181","0.004","37.325","0.017","90","","94.225","0.007","90","","3852","3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 As N2 O7 S Zn -","- C18 H15 As N2 O7 S Zn -","- C144 H120 As8 N16 O56 S8 Zn8 -","8","2","","Yi, Fei-Yan; Xu, Hai-Bing; Zhou, Tian-Hua; Mao, Jiang-Gao","Towards rational design of zinc(ii) and cadmium(ii) sulfonate-arsonates with low dimensional aggregations","CrystEngComm","2011","13","5","1480","","10.1039/c0ce00375a","","","0.71073","MoKα","","0.1046","0.0692","","","0.1291","0.1497","","","","","","0.903","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205344","17.8507","0.0007","21.4219","0.0007","9.0526","0.0005","90","","108.98","0.02","90","","3273.5","0.5","120","2","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C40 H32 N2 P2 Pt -","- C40 H32 N2 P2 Pt -","- C160 H128 N8 P8 Pt4 -","4","1","","Li, Xing; Zha, Mei-Qin; Gao, Shui-Ying; Low, Paul J.; Wu, Yuan-Zhao; Gan, Ning; Cao, Rong","Synthesis, photoluminescence, catalysis and multilayer film assembly of an ethynylpyridine platinum compound","CrystEngComm","2011","13","3","920","","10.1039/c0ce00382d","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205345","11.29","0.003","12.609","0.004","10.281","0.003","90","","107.231","0.006","90","","1397.9","0.7","298","2","298","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C25 H34 Co N4 O8 -","- C25 H34 Co N4 O8 -","- C50 H68 Co2 N8 O16 -","2","1","","Xu, Bo; Lin, Zujin; Han, Liwei; Cao, Rong","From 2D →3D inclined polycatenation to 2D →3D parallel polycatenation: a central metal cationic induce strategy","CrystEngComm","2011","13","2","440","","10.1039/c0ce00387e","","","0.71073","MoKα","","0.0575","0.0415","","","0.1058","0.1337","","","","","","1.1","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205346","18.105","0.006","15.467","0.005","10.115","0.003","90","","97.76","0.005","90","","2806.6","1.5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H35 N4 O8 Zn -","- C25 H35 N4 O8 Zn -","- C100 H140 N16 O32 Zn4 -","4","0.5","","Xu, Bo; Lin, Zujin; Han, Liwei; Cao, Rong","From 2D →3D inclined polycatenation to 2D →3D parallel polycatenation: a central metal cationic induce strategy","CrystEngComm","2011","13","2","440","","10.1039/c0ce00387e","","","0.71073","MoKα","","0.0528","0.0453","","","0.1339","0.1484","","","","","","1.098","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205347","7.119","0.002","12.53","0.003","41.52","0.005","90","","90","","90","","3703.6","1.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","brucinium N-(4-nitrobenzoyl)-D-asparaginate heptahydrate","brucinium N-(4-nitrobenzoyl)-D-asparaginate heptahydrate","","- C34 H51 N5 O17 -","- C34 H51 N5 O17 -","- C136 H204 N20 O68 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","When a host becomes a guest—competition between decreasing hydrophobic spaces and supramolecular synthon propagation","CrystEngComm","2011","13","3","967","","10.1039/c0ce00388c","","","0.71073","MoKα","","0.1033","0.0621","","","0.1289","0.1462","","","","","","1.023","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205348","7.979","0.002","19.404","0.003","22.853","0.004","90","","90","","90","","3538.2","1.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","brucinium N-(4-nitrobenzoyl)-D-asparaginate methanol disolvate 0.73-hydrate","brucinium N-(4-nitrobenzoyl)-D-asparaginate methanol disolvate 0.73-hydrate","","- C36 H46.45 N5 O12.73 -","- C36 H46.454 N5 O12.727 -","- C144 H185.816 N20 O50.908 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","When a host becomes a guest—competition between decreasing hydrophobic spaces and supramolecular synthon propagation","CrystEngComm","2011","13","3","967","","10.1039/c0ce00388c","","","0.71073","MoKα","","0.0655","0.0462","","","0.0921","0.097","","","","","","1.078","","","","has coordinates,has disorder","180384","2020-10-21","18:00:00",""
"7205349","7.605","0.002","21.238","0.005","23.666","0.005","90","","90","","90","","3822.4","1.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","brucinium N-(4-nitrobenzoyl)-L-asparaginate methanol trisolvate","brucinium N-(4-nitrobenzoyl)-L-asparaginate methanol trisolvate","","- C37 H49 N5 O13 -","- C37 H49 N5 O13 -","- C148 H196 N20 O52 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","When a host becomes a guest—competition between decreasing hydrophobic spaces and supramolecular synthon propagation","CrystEngComm","2011","13","3","967","","10.1039/c0ce00388c","","","0.71073","MoKα","","0.0845","0.0711","","","0.154","0.1599","","","","","","1.197","","","","has coordinates,has disorder","180384","2020-10-21","18:00:00",""
"7205350","9.406","0.0019","9.986","0.002","74.231","0.015","88.87","0.03","89.52","0.03","90.14","0.03","6971","2","300","2","300","2","","","","","","","","6","I -1","-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)","2","","","","- C46 H36 Br4 Cl2 Co S32 -","- C46 H36 Br4 Cl2 Co S32 -","- C184 H144 Br16 Cl8 Co4 S128 -","4","","","Shilov, Gena V.; Zhilyaeva, Elena I.; Flakina, Alexandra M.; Torunova, Svetlana A.; Lyubovskii, Rustem B.; Aldoshin, Sergey M.; Lyubovskaya, Rimma N.","Phase transition at 320 K in a new layered organic metal conductor (BEDT-TTF)4CoBr4(C6H4Cl2)","CrystEngComm","2011","13","5","1467","","10.1039/c0ce00409j","","","0.71073","MoKα","","0.3225","0.0731","","","0.1519","0.1723","","","","","","1.011","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205351","9.742","0.0014","9.742","0.0014","74.419","0.015","90","","90","","90","","7063","2","343","2","343","2","","","","","","","","6","I 41/a :2","-I 4ad","88","bis(ethylenedithio)tetrathiafulvalenium_ tetrabromocobaltate(II)_dichlorobenzene_(4/1/1)","","","- C46 H36 Br4 Cl2 Co S32 -","- C46 H36 Br4 Cl2 Co S32 -","- C184 H144 Br16 Cl8 Co4 S128 -","4","0.25","","Shilov, Gena V.; Zhilyaeva, Elena I.; Flakina, Alexandra M.; Torunova, Svetlana A.; Lyubovskii, Rustem B.; Aldoshin, Sergey M.; Lyubovskaya, Rimma N.","Phase transition at 320 K in a new layered organic metal conductor (BEDT-TTF)4CoBr4(C6H4Cl2)","CrystEngComm","2011","13","5","1467","","10.1039/c0ce00409j","","","0.71073","MoKα","","0.2886","0.0546","","","0.0846","0.0978","","","","","","0.975","","","","has coordinates,has disorder","180384","2020-10-21","18:00:00",""
"7205352","9.1131","0.0018","25.5","0.005","14.645","0.003","90","","98.376","0.002","90","","3367","1.2","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","3-Hexyl-2-(3-(3-hexyl-3H-benzoselenazol-2-ylidenemethyl)-2- methoxy-4-oxocyclobut-2-enylidenemethyl)benzoselenazol-3-ium trifluoromethanesulfonate","3-Hexyl-2-[3-(3-hexyl-3H-benzoselenazol-2-ylidenemethyl)-2-methoxy-4- oxocyclobut-2-enylidenemethyl]benzoselenazol-3-ium trifluoromethanesulfonate","","- C34 H39 F3 N2 O5 S Se2 -","- C34 H39 F3 N2 O5 S Se2 -","- C136 H156 F12 N8 O20 S4 Se8 -","4","1","","Santos, Paulo F.; Reis, Lucinda V.; Almeida, Paulo; Lynch, Daniel E.","Crystal structures of a benzoselenazole-derived squarylium cyanine dye and three derivatives substituted at the central squaric ring","CrystEngComm","2011","13","5","1333","","10.1039/c0ce00420k","","","0.7848","synchrotron","","0.1123","0.0612","","","0.1412","0.1683","","","","","","0.955","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205353","11.0233","0.0011","9.7399","0.0009","13.1575","0.0013","90","","98.227","0.005","90","","1398.1","0.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","4-((3-hexylbenzoselenazol-3-ium-2-yl)methylidene)-2-((3-hexyl- 3H-benzoselenazol-2-ylidene)methyl)-3-oxocyclobut-1-en-1-olate","4-[(3-hexylbenzoselenazol-3-ium-2-yl)methylidene]-2-[(3-hexyl-3H- benzoselenazol-2-ylidene)methyl]-3-oxocyclobut-1-en-1-olate","","- C32 H36 N2 O2 Se2 -","- C32 H36 N2 O2 Se2 -","- C64 H72 N4 O4 Se4 -","2","0.5","","Santos, Paulo F.; Reis, Lucinda V.; Almeida, Paulo; Lynch, Daniel E.","Crystal structures of a benzoselenazole-derived squarylium cyanine dye and three derivatives substituted at the central squaric ring","CrystEngComm","2011","13","5","1333","","10.1039/c0ce00420k","","","0.71073","MoKα","","0.1378","0.094","","","0.1974","0.2171","","","","","","1.159","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205354","12.8136","0.0003","13.1269","0.0004","13.1817","0.0004","109.022","0.001","98.479","0.002","116.888","0.001","1751.49","0.09","120","2","120","2","","","","","","","","7","P -1","-P 1","2","3-Hexyl-2-(3-(3-hexyl-3H-benzoselenazol-2-ylidenemethyl)-2- methylamino-4-oxocyclobut-2-enylidenemethyl)benzoselenazol-3-ium trifluoromethanesulfonate hydrate","3-Hexyl-2-[3-(3-hexyl-3H-benzoselenazol-2-ylidenemethyl)-2-methylamino-4- oxocyclobut-2-enylidenemethyl]benzoselenazol-3-ium trifluoromethanesulfonate hydrate","","- C34 H42 F3 N3 O5 S Se2 -","- C34 H42 F3 N3 O5 S Se2 -","- C68 H84 F6 N6 O10 S2 Se4 -","2","1","","Santos, Paulo F.; Reis, Lucinda V.; Almeida, Paulo; Lynch, Daniel E.","Crystal structures of a benzoselenazole-derived squarylium cyanine dye and three derivatives substituted at the central squaric ring","CrystEngComm","2011","13","5","1333","","10.1039/c0ce00420k","","","0.71073","MoKα","","0.074","0.0524","","","0.0998","0.1124","","","","","","1.063","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205355","23.4215","0.0009","13.4127","0.0003","25.2899","0.0009","90","","112.482","0.001","90","","7340.9","0.4","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","2-(2-Diethylamino-3-hexyl-2-(3-(3-hexyl-3H-benzoselenazol-2- ylidenemethyl)-4-oxocyclobut-2-enylidenemethyl)-3-hexylbenzoselenazol-3- ium trifluoromethanesulfonate","2-[2-Diethylamino-3-hexyl-2-[3-(3-hexyl-3H-benzoselenazol-2-ylidenemethyl)-4- oxocyclobut-2-enylidenemethyl]-3-hexylbenzoselenazol-3-ium trifluoromethanesulfonate","","- C37 H46 F3 N3 O4 S Se2 -","- C37 H46 F3 N3 O4 S Se2 -","- C296 H368 F24 N24 O32 S8 Se16 -","8","1","","Santos, Paulo F.; Reis, Lucinda V.; Almeida, Paulo; Lynch, Daniel E.","Crystal structures of a benzoselenazole-derived squarylium cyanine dye and three derivatives substituted at the central squaric ring","CrystEngComm","2011","13","5","1333","","10.1039/c0ce00420k","","","0.71073","MoKα","","0.0955","0.0501","","","0.096","0.1127","","","","","","0.984","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205356","18.5317","0.0008","16.6605","0.0006","22.9353","0.0007","90","","94.289","0.003","90","","7061.4","0.5","180","2","180","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H16 Cd N2 O6 S -","- C24 H16 Cd N2 O6 S -","- C192 H128 Cd8 N16 O48 S8 -","8","1","","Xiong, Shunshun; Wang, Sujing; Tang, Xinjun; Wang, Zhiyong","Four new metal‒organic frameworks constructed from H2DBTDC-O2 (H2DBTDC-O2 = dibenzothiophene-5,5′-dioxide-3,7-dicarboxylic acid) ligand with guest-responsive photoluminescence","CrystEngComm","2011","13","5","1646","","10.1039/c0ce00422g","","","1.54184","CuKα","","0.0587","0.0459","","","0.1147","0.1175","","","","","","1.004","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205357","13.961","0.0007","22.649","0.002","19.601","0.003","90","","101.374","0.009","90","","6076.2","1.1","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H20 N2 O12 S2 Zn2 -","- C38 H20 N2 O12 S2 Zn2 -","- C152 H80 N8 O48 S8 Zn8 -","4","1","","Xiong, Shunshun; Wang, Sujing; Tang, Xinjun; Wang, Zhiyong","Four new metal‒organic frameworks constructed from H2DBTDC-O2 (H2DBTDC-O2 = dibenzothiophene-5,5′-dioxide-3,7-dicarboxylic acid) ligand with guest-responsive photoluminescence","CrystEngComm","2011","13","5","1646","","10.1039/c0ce00422g","","","1.54184","CuKα","","0.1325","0.0661","","","0.1138","0.1187","","","","","","0.979","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205358","10.1389","0.0007","22.0518","0.0012","14.1837","0.0009","90","","90","","90","","3171.2","0.3","180","2","180","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C24 H20 N4 O6 S Zn -","- C24 H20 N4 O6 S Zn -","- C96 H80 N16 O24 S4 Zn4 -","4","0.5","","Xiong, Shunshun; Wang, Sujing; Tang, Xinjun; Wang, Zhiyong","Four new metal‒organic frameworks constructed from H2DBTDC-O2 (H2DBTDC-O2 = dibenzothiophene-5,5′-dioxide-3,7-dicarboxylic acid) ligand with guest-responsive photoluminescence","CrystEngComm","2011","13","5","1646","","10.1039/c0ce00422g","","","0.71073","MoKα","","0.0755","0.0523","","","0.1463","0.1522","","","","","","1.011","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205359","7.2086","0.0004","12.3243","0.0007","13.8591","0.0009","110.122","0.005","97.975","0.005","92.728","0.004","1138.89","0.12","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H14 Co N2 O6 S -","- C24 H14 Co N2 O6 S -","- C48 H28 Co2 N4 O12 S2 -","2","1","","Xiong, Shunshun; Wang, Sujing; Tang, Xinjun; Wang, Zhiyong","Four new metal‒organic frameworks constructed from H2DBTDC-O2 (H2DBTDC-O2 = dibenzothiophene-5,5′-dioxide-3,7-dicarboxylic acid) ligand with guest-responsive photoluminescence","CrystEngComm","2011","13","5","1646","","10.1039/c0ce00422g","","","0.71073","MoKα","","0.0566","0.0405","","","0.0875","0.0906","","","","","","0.996","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205360","9.799","0.002","11.272","0.003","15.935","0.004","70.517","0.004","84.668","0.004","71.046","0.004","1569.1","0.7","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H36 La N O10 -","- C32 H29 La N O10 -","- C64 H58 La2 N2 O20 -","2","1","","Jeong, Kyung Seok; Lee, Bo Hyung; Li, Qiaowei; Choi, Sang Beom; Kim, Jaheon; Jeong, Nakcheol","Near achiral metal‒organic frameworks from conformationally flexible homochiral ligands resulted by the preferential formation of pseudo-inversion center in asymmetric unit","CrystEngComm","2011","13","5","1277","","10.1039/c0ce00426j","","","0.71073","MoKα","","0.0895","0.0726","","","0.1882","0.1954","","","","","","1.06","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205361","9.7792","0.0013","11.3331","0.0014","15.924","0.002","71.042","0.002","85.29","0.002","70.907","0.002","1576.7","0.3","273","2","273","2","","","","","","","","5","P 1","P 1","1","","","","- C64 H70 La2 N2 O20 -","- C64 H70 La2 N2 O20 -","- C64 H70 La2 N2 O20 -","1","1","","Jeong, Kyung Seok; Lee, Bo Hyung; Li, Qiaowei; Choi, Sang Beom; Kim, Jaheon; Jeong, Nakcheol","Near achiral metal‒organic frameworks from conformationally flexible homochiral ligands resulted by the preferential formation of pseudo-inversion center in asymmetric unit","CrystEngComm","2011","13","5","1277","","10.1039/c0ce00426j","","","0.71073","MoKα","","0.0445","0.0401","","","0.1021","0.1054","","","","","","1.041","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205362","13.3271","0.0008","10.2322","0.0006","8.0646","0.0005","90","","90","","90","","1099.73","0.11","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C6 H8 Cd N6 S2 -","- C6 H8 Cd N6 S2 -","- C24 H32 Cd4 N24 S8 -","4","0.5","","Jiang, Yun-Liang; Wang, Yu-Ling; Lin, Jing-Xiang; Liu, Qing-Yan; Lu, Zhang-Hui; Zhang, Na; Jia-Jia-Wei,; Li, Li-Qin","Syntheses, structures and properties of coordination polymers of cadmium(ii) with 4-methyl-1,2,4-triazole-3-thiol ligand","CrystEngComm","2011","13","5","1697","","10.1039/c0ce00431f","","","0.71073","MoKα","","0.0165","0.0156","","","0.042","0.0426","","","","","","1.038","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205363","11.5428","0.0009","6.9491","0.0005","10.38","0.0008","90","","116.321","0.001","90","","746.28","0.1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C3 H4 Br Cd N3 S -","- C3 H4 Br Cd N3 S -","- C12 H16 Br4 Cd4 N12 S4 -","4","1","","Jiang, Yun-Liang; Wang, Yu-Ling; Lin, Jing-Xiang; Liu, Qing-Yan; Lu, Zhang-Hui; Zhang, Na; Jia-Jia-Wei,; Li, Li-Qin","Syntheses, structures and properties of coordination polymers of cadmium(ii) with 4-methyl-1,2,4-triazole-3-thiol ligand","CrystEngComm","2011","13","5","1697","","10.1039/c0ce00431f","","","0.71073","MoKα","","0.0266","0.0231","","","0.0595","0.061","","","","","","1.012","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205364","6.9989","0.0008","10.3114","0.0012","12.9438","0.0012","90","","118.441","0.005","90","","821.39","0.16","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C3 H4 Cd I N3 S -","- C3 H4 Cd I N3 S -","- C12 H16 Cd4 I4 N12 S4 -","4","1","","Jiang, Yun-Liang; Wang, Yu-Ling; Lin, Jing-Xiang; Liu, Qing-Yan; Lu, Zhang-Hui; Zhang, Na; Jia-Jia-Wei,; Li, Li-Qin","Syntheses, structures and properties of coordination polymers of cadmium(ii) with 4-methyl-1,2,4-triazole-3-thiol ligand","CrystEngComm","2011","13","5","1697","","10.1039/c0ce00431f","","","0.71073","MoKα","","0.0265","0.0232","","","0.061","0.0626","","","","","","1.083","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205365","10.8254","0.0005","7.8337","0.0003","17.8083","0.0008","90","","90","","90","","1510.2","0.11","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C3 H4 Br Cd N3 S -","- C3 H4 Br Cd N3 S -","- C24 H32 Br8 Cd8 N24 S8 -","8","1","","Jiang, Yun-Liang; Wang, Yu-Ling; Lin, Jing-Xiang; Liu, Qing-Yan; Lu, Zhang-Hui; Zhang, Na; Jia-Jia-Wei,; Li, Li-Qin","Syntheses, structures and properties of coordination polymers of cadmium(ii) with 4-methyl-1,2,4-triazole-3-thiol ligand","CrystEngComm","2011","13","5","1697","","10.1039/c0ce00431f","","","0.71073","MoKα","","0.0261","0.0217","","","0.0522","0.054","","","","","","1.046","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205366","10.813","0.002","7.6106","0.0016","17.77","0.004","90","","90","","90","","1462.4","0.5","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C3 H4 Cd Cl N3 S -","- C3 H4 Cd Cl N3 S -","- C24 H32 Cd8 Cl8 N24 S8 -","8","1","","Jiang, Yun-Liang; Wang, Yu-Ling; Lin, Jing-Xiang; Liu, Qing-Yan; Lu, Zhang-Hui; Zhang, Na; Jia-Jia-Wei,; Li, Li-Qin","Syntheses, structures and properties of coordination polymers of cadmium(ii) with 4-methyl-1,2,4-triazole-3-thiol ligand","CrystEngComm","2011","13","5","1697","","10.1039/c0ce00431f","","","0.71073","MoKα","","0.0269","0.0214","","","0.0492","0.0519","","","","","","1.005","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205367","6.8059","0.0004","9.6914","0.0005","9.7577","0.0005","90.57","0.001","109.664","0.001","94.798","0.001","603.45","0.06","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H18 Cd3 N12 O2 S4 -","- C12 H18 Cd3 N12 O2 S4 -","- C12 H18 Cd3 N12 O2 S4 -","1","0.5","","Jiang, Yun-Liang; Wang, Yu-Ling; Lin, Jing-Xiang; Liu, Qing-Yan; Lu, Zhang-Hui; Zhang, Na; Jia-Jia-Wei,; Li, Li-Qin","Syntheses, structures and properties of coordination polymers of cadmium(ii) with 4-methyl-1,2,4-triazole-3-thiol ligand","CrystEngComm","2011","13","5","1697","","10.1039/c0ce00431f","","","0.71073","MoKα","","0.0206","0.0193","","","0.0509","0.0516","","","","","","1.023","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205368","16.783","0.002","7.5603","0.0011","12.1864","0.0017","90","","100.689","0.008","90","","1519.4","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3-ferrocenyl-6-methoxy-benzo(b)thiophene","","","- C19 H16 Fe O S -","- C19 H16 Fe O S -","- C76 H64 Fe4 O4 S4 -","4","1","","Ferreira da Silva, J. L.; Ferreira, André P.; Marques, M. Matilde; Harjivan, Shrika G.; M. da Piedade, M. Fátima; Duarte, M. Teresa","Effect of C‒H…X interactions (X = O, S, π) in the supramolecular arrangements of 3-ferrocenyl-methoxybenzo[b]thiophene isomers","CrystEngComm","2011","13","5","1638","","10.1039/c0ce00434k","","","0.71073","MoKα","","0.0565","0.0363","","","0.085","0.0942","","","","","","1.012","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205369","7.549","0.001","9.734","0.0013","11.35","0.0016","96.452","0.008","103.358","0.007","110.027","0.007","745.47","0.18","150","2","150","2","","","","","","","","5","P 1","P 1","1","3-ferrocenyl-4-methoxybenzo(b)thiophene","","","- C19 H16 Fe O S -","- C19 H16 Fe O S -","- C38 H32 Fe2 O2 S2 -","2","2","","Ferreira da Silva, J. L.; Ferreira, André P.; Marques, M. Matilde; Harjivan, Shrika G.; M. da Piedade, M. Fátima; Duarte, M. Teresa","Effect of C‒H…X interactions (X = O, S, π) in the supramolecular arrangements of 3-ferrocenyl-methoxybenzo[b]thiophene isomers","CrystEngComm","2011","13","5","1638","","10.1039/c0ce00434k","","","0.71073","MoKα","","0.036","0.0333","","","0.0782","0.0903","","","","","","1.072","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205370","12.6961","0.0017","6.0031","0.0008","24.66","0.003","90","","102.74","0.002","90","","1833.2","0.4","115","2","115","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 N O2 -","- C19 H18 N O2 -","- C76 H72 N4 O8 -","4","1","","Shiota, Naoki; Okuno, Takahiro; Kinuta, Takafumi; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Solid-state fluorescence host complex formed by assembly of two-dimensional layered network structure composed of 2,6-naphthalenedicarboxylic acid and 2-naphthylethylamine","CrystEngComm","2011","13","5","1683","","10.1039/c0ce00446d","","","0.71073","MoKα","","0.1327","0.0985","","","0.2326","0.251","","","","","","1.096","","","","has coordinates,has disorder","180384","2020-10-21","18:00:00",""
"7205371","12.6246","0.0013","6.0584","0.0006","21.936","0.002","90","","96.467","0.002","90","","1667.1","0.3","115","2","115","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 N O2 -","- C18 H17 N O2 -","- C72 H68 N4 O8 -","4","1","","Shiota, Naoki; Okuno, Takahiro; Kinuta, Takafumi; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Solid-state fluorescence host complex formed by assembly of two-dimensional layered network structure composed of 2,6-naphthalenedicarboxylic acid and 2-naphthylethylamine","CrystEngComm","2011","13","5","1683","","10.1039/c0ce00446d","","","0.71073","MoKα","","0.076","0.0644","","","0.1902","0.1982","","","","","","1.038","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205372","7.6688","0.0003","15.188","0.0006","11.8332","0.0005","90","","101.347","0.0011","90","","1351.32","0.09","290","1","290","1","","","","","","","","5","P 1 21 1","P 2yb","4","","4-(4-(dimethylamino)styryl)-1-(2,5-dimethylbenzyl)pyridinium 4-methylbenzenesulfonate","","- C31 H34 N2 O3 S -","- C31 H34 N2 O3 S -","- C62 H68 N4 O6 S2 -","2","1","","Kim, Pil-Joo; Jeong, Jae-Hyeok; Jazbinsek, Mojca; Kwon, Seong-Ji; Yun, Hoseop; Kim, Jong-Taek; Lee, Yoon Sup; Baek, In-Hyung; Rotermund, Fabian; Günter, Peter; Kwon, O-Pil","Acentric nonlinear optical N-benzyl stilbazolium crystals with high environmental stability and enhanced molecular nonlinearity in solid state","CrystEngComm","2011","13","2","444","","10.1039/c0ce00456a","","","0.71073","MoKα","","0.0501","0.0337","","","0.0823","0.0969","","","","","","1.094","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205373","30.632","0.0013","13.6735","0.0015","14.9266","0.0016","90","","95.758","0.002","90","","6220.4","1","291","2","291","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H24 Co N4 O6 S -","- C27 H24 Co N4 O6 S -","- C216 H192 Co8 N32 O48 S8 -","8","1","","Sun, Hailong; Mei, Haibo; An, Guanghui; Han, Jianlin; Pan, Yi","Hydrogen-bonding self-assembly of two dimensional (2D) layer structures generating metal‒organic nanotubes","CrystEngComm","2011","13","3","734","","10.1039/c0ce00471e","","","0.71073","MoKα","","0.0801","0.0536","","","0.105","0.1096","","","","","","0.999","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205374","31.561","0.003","11.4596","0.001","14.619","0.0013","90","","96.115","0.001","90","","5257.3","0.8","291","2","291","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H20 Co N4 O5 S -","- C25 H20 Co N4 O5 S -","- C200 H160 Co8 N32 O40 S8 -","8","1","","Sun, Hailong; Mei, Haibo; An, Guanghui; Han, Jianlin; Pan, Yi","Hydrogen-bonding self-assembly of two dimensional (2D) layer structures generating metal‒organic nanotubes","CrystEngComm","2011","13","3","734","","10.1039/c0ce00471e","","","0.71073","MoKα","","0.0726","0.0496","","","0.0897","0.093","","","","","","0.988","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205375","19.3767","0.0003","23.1849","0.0007","13.7787","0.0003","90","","126.742","0.0013","90","","4960.3","0.2","110","2","110","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C53 H54 N6 O13 -","- C53 H54 N6 O13 -","- C212 H216 N24 O52 -","4","0.5","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. I. Synthesis of CH2- and (CH2)2-spaced bis(oxy)isophthalic acid ligands, and structural characterization of their polymeric adducts with lanthanoid ions","CrystEngComm","2011","13","1","339","","10.1039/c0ce00474j","","","0.71073","MoKα","","0.1289","0.0742","","","0.14","0.1599","","","","","","1.036","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205376","7.9466","0.0002","8.6064","0.0002","14.9515","0.0004","79.1115","0.0011","76.3526","0.001","62.5022","0.001","877.63","0.04","110","2","110","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H16 O11 -","- C18 H16 O11 -","- C36 H32 O22 -","2","1","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. I. Synthesis of CH2- and (CH2)2-spaced bis(oxy)isophthalic acid ligands, and structural characterization of their polymeric adducts with lanthanoid ions","CrystEngComm","2011","13","1","339","","10.1039/c0ce00474j","","","0.71073","MoKα","","0.0841","0.0519","","","0.125","0.1418","","","","","","0.994","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205377","8.8934","0.0002","8.9328","0.0002","12.6735","0.0003","81.2596","0.0011","69.6581","0.0011","60.9613","0.001","825.19","0.03","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H11 La O11 -","- C17 H11 La O11 -","- C34 H22 La2 O22 -","2","1","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. I. Synthesis of CH2- and (CH2)2-spaced bis(oxy)isophthalic acid ligands, and structural characterization of their polymeric adducts with lanthanoid ions","CrystEngComm","2011","13","1","339","","10.1039/c0ce00474j","","","0.71073","MoKα","","0.0433","0.0356","","","0.0841","0.0883","","","","","","1.059","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205378","8.8277","0.0001","8.8751","0.0002","12.6582","0.0003","81.0037","0.0008","69.8251","0.0009","61.2379","0.0018","815.98","0.03","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H11 Nd O11 -","- C17 H11 Nd O11 -","- C34 H22 Nd2 O22 -","2","1","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. I. Synthesis of CH2- and (CH2)2-spaced bis(oxy)isophthalic acid ligands, and structural characterization of their polymeric adducts with lanthanoid ions","CrystEngComm","2011","13","1","339","","10.1039/c0ce00474j","","","0.71073","MoKα","","0.0418","0.035","","","0.0817","0.0851","","","","","","1.064","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205379","9.9205","0.0002","10.6776","0.0003","11.7567","0.0004","96.6635","0.0012","108.338","0.0013","106.837","0.0015","1101.63","0.06","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H23 O17 Sm -","- C17 H23 O17 Sm -","- C34 H46 O34 Sm2 -","2","1","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. I. Synthesis of CH2- and (CH2)2-spaced bis(oxy)isophthalic acid ligands, and structural characterization of their polymeric adducts with lanthanoid ions","CrystEngComm","2011","13","1","339","","10.1039/c0ce00474j","","","0.71073","MoKα","","0.0319","0.0285","","","0.0644","0.066","","","","","","1.037","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205380","14.8023","0.0006","20.1819","0.0006","7.1981","0.0002","90","","103.297","0.0014","90","","2092.7","0.12","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 Dy O15 -","- C17 H19 Dy O15 -","- C68 H76 Dy4 O60 -","4","1","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. I. Synthesis of CH2- and (CH2)2-spaced bis(oxy)isophthalic acid ligands, and structural characterization of their polymeric adducts with lanthanoid ions","CrystEngComm","2011","13","1","339","","10.1039/c0ce00474j","","","0.71073","MoKα","","0.0684","0.052","","","0.0955","0.1006","","","","","","1.157","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205381","14.8422","0.0003","20.2605","0.0003","7.2273","0.0001","90","","103.63","0.0005","90","","2112.12","0.06","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 Eu O15 -","- C17 H19 Eu O15 -","- C68 H76 Eu4 O60 -","4","1","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. I. Synthesis of CH2- and (CH2)2-spaced bis(oxy)isophthalic acid ligands, and structural characterization of their polymeric adducts with lanthanoid ions","CrystEngComm","2011","13","1","339","","10.1039/c0ce00474j","","","0.71073","MoKα","","0.0458","0.0329","","","0.0858","0.0953","","","","","","0.913","","","","has coordinates,has disorder","180384","2020-10-21","18:00:00",""
"7205382","8.5147","0.0002","10.2584","0.0002","12.454","0.0005","68.4154","0.001","89.3378","0.0011","72.78","0.002","960.38","0.05","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H19 La O14 -","- C18 H19 La O14 -","- C36 H38 La2 O28 -","2","1","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. I. Synthesis of CH2- and (CH2)2-spaced bis(oxy)isophthalic acid ligands, and structural characterization of their polymeric adducts with lanthanoid ions","CrystEngComm","2011","13","1","339","","10.1039/c0ce00474j","","","0.71073","MoKα","","0.0495","0.0376","","","0.0837","0.0899","","","","","","0.928","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205383","8.5679","0.0003","9.9939","0.0003","12.5472","0.0005","91.596","0.0015","94.8827","0.0014","93.4052","0.0016","1068","0.07","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H38 Nd2 O31 -","- C36 H38 Nd2 O31 -","- C36 H38 Nd2 O31 -","1","0.5","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. I. Synthesis of CH2- and (CH2)2-spaced bis(oxy)isophthalic acid ligands, and structural characterization of their polymeric adducts with lanthanoid ions","CrystEngComm","2011","13","1","339","","10.1039/c0ce00474j","","","0.71073","MoKα","","0.0635","0.0484","","","0.1215","0.1294","","","","","","1.016","","","","has coordinates,has disorder","180384","2020-10-21","18:00:00",""
"7205384","8.5589","0.0002","9.9686","0.0003","12.524","0.0004","91.3986","0.0013","94.9577","0.0012","93.4852","0.0011","1062.11","0.05","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H38 O31 Sm2 -","- C36 H38 O31 Sm2 -","- C36 H38 O31 Sm2 -","1","0.5","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. I. Synthesis of CH2- and (CH2)2-spaced bis(oxy)isophthalic acid ligands, and structural characterization of their polymeric adducts with lanthanoid ions","CrystEngComm","2011","13","1","339","","10.1039/c0ce00474j","","","0.71073","MoKα","","0.0533","0.0402","","","0.1016","0.1097","","","","","","0.904","","","","has coordinates,has disorder","180384","2020-10-21","18:00:00",""
"7205385","8.0901","0.0003","10.1509","0.0004","14.6134","0.0007","82.8401","0.0018","88.141","0.002","66.521","0.003","1091.94","0.08","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H17 Ce O13 -","- C18 H17 Ce O13 -","- C36 H34 Ce2 O26 -","2","1","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. I. Synthesis of CH2- and (CH2)2-spaced bis(oxy)isophthalic acid ligands, and structural characterization of their polymeric adducts with lanthanoid ions","CrystEngComm","2011","13","1","339","","10.1039/c0ce00474j","","","0.71073","MoKα","","0.0577","0.0426","","","0.0887","0.0931","","","","","","1.001","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205386","9.6328","0.0008","23.4438","0.0019","6.8997","0.0006","90","","98.826","0.001","90","","1539.7","0.2","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H8 Cu3 N5 -","- C15 H8 Cu3 N5 -","- C60 H32 Cu12 N20 -","4","1","","Su, Zhanhua; Zhao, Zhifeng; Zhou, Baibin; Cai, Qinghai; Zhang, Yunan","Three novel coordination polymers constructed from [Cu(CN)] chains","CrystEngComm","2011","13","5","1474","","10.1039/c0ce00483a","","","0.71073","MoKα","","0.0569","0.035","","","0.0822","0.0899","","","","","","1.037","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205387","8.5451","0.0003","11.6761","0.0004","12.5593","0.0005","90","","100.911","0.001","90","","1230.43","0.08","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 Cu2 N4 -","- C12 H8 Cu2 N4 -","- C48 H32 Cu8 N16 -","4","1","","Su, Zhanhua; Zhao, Zhifeng; Zhou, Baibin; Cai, Qinghai; Zhang, Yunan","Three novel coordination polymers constructed from [Cu(CN)] chains","CrystEngComm","2011","13","5","1474","","10.1039/c0ce00483a","","","0.71073","MoKα","","0.0346","0.0292","","","0.0805","0.084","","","","","","1.019","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205388","7.429","0.0003","14.1167","0.0006","16.1356","0.0007","68.734","0.001","80.866","0.001","81.606","0.001","1549.76","0.11","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H28 Cu4 N8 -","- C30 H28 Cu4 N8 -","- C60 H56 Cu8 N16 -","2","1","","Su, Zhanhua; Zhao, Zhifeng; Zhou, Baibin; Cai, Qinghai; Zhang, Yunan","Three novel coordination polymers constructed from [Cu(CN)] chains","CrystEngComm","2011","13","5","1474","","10.1039/c0ce00483a","","","0.71073","MoKα","","0.0653","0.0375","","","0.0891","0.1008","","","","","","1.019","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205389","7.2594","0.0012","9.3403","0.0016","11.835","0.002","71.216","0.002","76.045","0.002","70.261","0.002","707.2","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H15 N9 Zn -","- C10 H15 N9 Zn -","- C20 H30 N18 Zn2 -","2","1","","Fang, Hua-Cai; Ge, Ying-Ying; Jia, Hong-Yang; Li, Shan-Shan; Sun, Feng; Zhang, Li-Guo; Cai, Yue-Peng","Construction of three high-dimensional supramolecular networks from temperature-driven conformational isomers","CrystEngComm","2011","13","1","67","","10.1039/c0ce00485e","","","0.71073","MoKα","","0.0344","0.0295","","","0.0709","0.0734","","","","","","1.099","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205390","8.395","0.0012","9.5035","0.0013","10.2058","0.0014","71.53","0.002","84.594","0.002","72.106","0.002","734.93","0.18","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H15 N9 Zn -","- C10 H15 N9 Zn -","- C20 H30 N18 Zn2 -","2","1","","Fang, Hua-Cai; Ge, Ying-Ying; Jia, Hong-Yang; Li, Shan-Shan; Sun, Feng; Zhang, Li-Guo; Cai, Yue-Peng","Construction of three high-dimensional supramolecular networks from temperature-driven conformational isomers","CrystEngComm","2011","13","1","67","","10.1039/c0ce00485e","","","0.71073","MoKα","","0.0526","0.0396","","","0.0915","0.0985","","","","","","1.042","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205391","9.8594","0.0017","11.0993","0.0018","13.426","0.002","90","","93.789","0.002","90","","1466","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H15 N9 Zn -","- C10 H15 N9 Zn -","- C40 H60 N36 Zn4 -","4","1","","Fang, Hua-Cai; Ge, Ying-Ying; Jia, Hong-Yang; Li, Shan-Shan; Sun, Feng; Zhang, Li-Guo; Cai, Yue-Peng","Construction of three high-dimensional supramolecular networks from temperature-driven conformational isomers","CrystEngComm","2011","13","1","67","","10.1039/c0ce00485e","","","0.71073","MoKα","","0.0635","0.049","","","0.1268","0.1393","","","","","","1.025","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205392","11.5834","0.0005","12.1886","0.0006","12.8749","0.0006","68.52","0.004","69.688","0.004","71.439","0.004","1547.77","0.14","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H49 Fe2 Mn2 N8 O8.5 -","- C72 H49 Fe2 Mn2 N8 O8.5 -","- C72 H49 Fe2 Mn2 N8 O8.5 -","1","0.5","","Li, Bo; Zhang, Jingping; Zhang, Yan; Cui, Shuxin; Li, Wenliang; Wang, Yu; Zhang, Xiaoying","Two unique 8-quinolinato (q) based one dimensional complexes [FeIIMnII(q)4·(H2O)0.25]n and [MnII(q)2]n: synthesis, structures, and magnetism","CrystEngComm","2011","13","2","418","","10.1039/c0ce00488j","","","0.71073","MoKα","","0.1104","0.0572","","","0.1287","0.1484","","","","","","1.012","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205393","29.9029","0.0008","29.9029","0.0008","6.6248","0.0003","90","","90","","90","","5923.8","0.3","298","2","298","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C18 H12 Mn N2 O2 -","- C18 H12 Mn N2 O2 -","- C288 H192 Mn16 N32 O32 -","16","1","","Li, Bo; Zhang, Jingping; Zhang, Yan; Cui, Shuxin; Li, Wenliang; Wang, Yu; Zhang, Xiaoying","Two unique 8-quinolinato (q) based one dimensional complexes [FeIIMnII(q)4·(H2O)0.25]n and [MnII(q)2]n: synthesis, structures, and magnetism","CrystEngComm","2011","13","2","418","","10.1039/c0ce00488j","","","0.71073","MoKα","","0.0956","0.0363","","","0.0381","0.0416","","","","","","0.838","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205394","15.678","0.003","9.197","0.0019","9.414","0.002","90","","90","","90","","1357.4","0.5","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C16 H6 Co O8 -","- C16 H6 Co O8 -","- C64 H24 Co4 O32 -","4","0.5","","Pan, Zhao-Rui; Xu, Jiao; Yao, Xiao-Qiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Syntheses, structures, magnetic and photoluminescence properties of metal‒organic frameworks based on aromatic polycarboxylate acids","CrystEngComm","2011","13","5","1617","","10.1039/c0ce00490a","","","0.71073","MoKα","","0.0447","0.0339","","","0.0807","0.0841","","","","","","1.071","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205395","15.764","0.003","9.1079","0.0015","9.7436","0.0015","90","","90","","90","","1399","0.4","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C16 H8 Mn O8 -","- C16 H8 Mn O8 -","- C64 H32 Mn4 O32 -","4","0.5","","Pan, Zhao-Rui; Xu, Jiao; Yao, Xiao-Qiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Syntheses, structures, magnetic and photoluminescence properties of metal‒organic frameworks based on aromatic polycarboxylate acids","CrystEngComm","2011","13","5","1617","","10.1039/c0ce00490a","","","0.71073","MoKα","","0.0812","0.0547","","","0.0961","0.1048","","","","","","1.054","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205396","10.642","0.002","10.768","0.002","14.943","0.003","90","","91.763","0.002","90","","1711.6","0.6","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C20 H13 Cd N2 O5 -","- C20 H13 Cd N2 O5 -","- C80 H52 Cd4 N8 O20 -","4","1","","Pan, Zhao-Rui; Xu, Jiao; Yao, Xiao-Qiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Syntheses, structures, magnetic and photoluminescence properties of metal‒organic frameworks based on aromatic polycarboxylate acids","CrystEngComm","2011","13","5","1617","","10.1039/c0ce00490a","","","0.71073","MoKα","","0.0385","0.0311","","","0.0601","0.0618","","","","","","1.001","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205397","14.432","0.005","22.089","0.008","11.142","0.004","90","","90.807","0.006","90","","3552","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H23 Cl3 Eu2 N2 O14 -","- C30 H23 Cl3 Eu2 N2 O14 -","- C120 H92 Cl12 Eu8 N8 O56 -","4","0.5","","Pan, Zhao-Rui; Xu, Jiao; Yao, Xiao-Qiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Syntheses, structures, magnetic and photoluminescence properties of metal‒organic frameworks based on aromatic polycarboxylate acids","CrystEngComm","2011","13","5","1617","","10.1039/c0ce00490a","","","0.71073","MoKα","","0.0733","0.0683","","","0.2067","0.2122","","","","","","1.171","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7205398","14.367","0.004","22.032","0.006","11.119","0.003","90","","90.843","0.005","90","","3519.2","1.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H23 Cl3 N2 Nd2 O14 -","- C30 H23 Cl3 N2 Nd2 O14 -","- C120 H92 Cl12 N8 Nd8 O56 -","4","0.5","","Pan, Zhao-Rui; Xu, Jiao; Yao, Xiao-Qiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Syntheses, structures, magnetic and photoluminescence properties of metal‒organic frameworks based on aromatic polycarboxylate acids","CrystEngComm","2011","13","5","1617","","10.1039/c0ce00490a","","","0.71073","MoKα","","0.0474","0.0447","","","0.1184","0.1205","","","","","","1.099","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7205399","14.24","0.0014","21.831","0.002","11.0019","0.0011","90","","91.119","0.002","90","","3419.5","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H23 Cl3 N2 O14 Pr2 -","- C30 H23 Cl3 N2 O14 Pr2 -","- C120 H92 Cl12 N8 O56 Pr8 -","4","0.5","","Pan, Zhao-Rui; Xu, Jiao; Yao, Xiao-Qiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Syntheses, structures, magnetic and photoluminescence properties of metal‒organic frameworks based on aromatic polycarboxylate acids","CrystEngComm","2011","13","5","1617","","10.1039/c0ce00490a","","","0.71073","MoKα","","0.0464","0.0444","","","0.1252","0.1271","","","","","","1.016","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7205400","11.552","0.001","8.0069","0.0007","5.8733","0.0004","90","","90","","90","","543.26","0.08","220","0.1","220","0.1","100","","100","","","","","3","P n m a","-P 2ac 2n","62","1,1,1-trichloroethane","1,1,1-trichloroethane","","- C2 H3 Cl3 -","- C2 H3 Cl3 -","- C8 H12 Cl12 -","4","0.5","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Crystalline gas of 1,1,1-trichloroethane","CrystEngComm","2011","13","2","396","","10.1039/c0ce00493f","","","0.71073","MoKα","","0.0432","0.0329","","","0.0837","0.0866","","","","","","0.999","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205401","11.266","0.002","7.748","0.008","5.7183","0.0012","90","","90","","90","","499.1","0.5","295","2","295","2","750000","","750000","","","","","3","P n m a","-P 2ac 2n","62","1,1,1-trichloroethane","1,1,1-trichloroethane","","- C2 H3 Cl3 -","- C2 H3 Cl3 -","- C8 H12 Cl12 -","4","0.5","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Crystalline gas of 1,1,1-trichloroethane","CrystEngComm","2011","13","2","396","","10.1039/c0ce00493f","","","0.71073","MoKα","","0.0628","0.0586","","","0.113","0.1141","","","","","","1.256","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205402","11.0912","0.0019","7.588","0.007","5.6253","0.001","90","","90","","90","","473.4","0.5","295","2","295","2","1150000","","1150000","","","","","3","P n m a","-P 2ac 2n","62","1,1,1-trichloroethane","1,1,1-trichloroethane","","- C2 H3 Cl3 -","- C2 H3 Cl3 -","- C8 H12 Cl12 -","4","0.5","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Crystalline gas of 1,1,1-trichloroethane","CrystEngComm","2011","13","2","396","","10.1039/c0ce00493f","","","0.71073","MoKα","","0.0516","0.0475","","","0.1314","0.1386","","","","","","1.223","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205403","10.914","0.002","7.414","0.006","5.535","0.001","90","","90","","90","","447.9","0.4","295","2","295","2","2150000","","2150000","","","","","3","P n m a","-P 2ac 2n","62","1,1,1-trichloroethane","1,1,1-trichloroethane","","- C2 H3 Cl3 -","- C2 H3 Cl3 -","- C8 H12 Cl12 -","4","0.5","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Crystalline gas of 1,1,1-trichloroethane","CrystEngComm","2011","13","2","396","","10.1039/c0ce00493f","","","0.71073","MoKα","","0.0595","0.0576","","","0.1222","0.1248","","","","","","1.136","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205404","7.161","0.002","22.009","0.004","10.675","0.003","90","","102.56","0.03","90","","1642.2","0.7","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H36 Cu2 N4 O15 -","- C28 H36 Cu2 N4 O15 -","- C56 H72 Cu4 N8 O30 -","2","1","","Saha, Rajat; Biswas, Susobhan; Mostafa, Golam","pH-Triggered construction of NLO active CMOFs: change in supramolecular assembly, water clusters, helical architectures and their properties","CrystEngComm","2011","13","3","1018","","10.1039/c0ce00505c","","","0.71073","MoKα","","0.0646","0.0387","","","0.0844","0.0926","","","","","","0.894","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205405","6.7063","0.0002","15.3526","0.0004","20.2188","0.0005","90","","90","","90","","2081.71","0.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H24 Cu N2 O12 -","- C16 H24 Cu N2 O12 -","- C64 H96 Cu4 N8 O48 -","4","1","","Saha, Rajat; Biswas, Susobhan; Mostafa, Golam","pH-Triggered construction of NLO active CMOFs: change in supramolecular assembly, water clusters, helical architectures and their properties","CrystEngComm","2011","13","3","1018","","10.1039/c0ce00505c","","","0.71073","MoKα","","0.0627","0.0622","","","0.155","0.1554","","","","","","1.25","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205406","9.3953","0.0001","7.3422","0.0001","13.9495","0.0002","90","","90","","90","","962.27","0.02","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H9 Co N O7 -","- C7 H9 Co N O7 -","- C28 H36 Co4 N4 O28 -","4","1","","Saha, Rajat; Biswas, Susobhan; Mostafa, Golam","pH-Triggered construction of NLO active CMOFs: change in supramolecular assembly, water clusters, helical architectures and their properties","CrystEngComm","2011","13","3","1018","","10.1039/c0ce00505c","","","0.71073","MoKα","","0.0295","0.0281","","","0.0724","0.0746","","","","","","1.113","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205407","17.0525","0.0006","8.4867","0.0003","22.6931","0.0008","90","","111.708","0.002","90","","3051.23","0.19","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H28 Cu2 N4 O14 S2 -","- C25 H28 Cu2 N4 O14 S2 -","- C100 H112 Cu8 N16 O56 S8 -","4","1","","Saha, Rajat; Biswas, Susobhan; Mostafa, Golam","pH-Triggered construction of NLO active CMOFs: change in supramolecular assembly, water clusters, helical architectures and their properties","CrystEngComm","2011","13","3","1018","","10.1039/c0ce00505c","","","0.71073","MoKα","","0.0612","0.0597","","","0.1615","0.163","","","","","","1.19","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205408","13.661","0.003","16.064","0.003","15.037","0.003","90","","108.25","0.03","90","","3133.9","1.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H67 Cl4 Cu4 N17 O0 -","- C48 H67 Cl4 Cu4 N17 -","- C96 H134 Cl8 Cu8 N34 -","2","0.25","","Zhang, Liang; Ren, Zhi-Gang; Li, Hong-Xi; Lang, Jian-Ping","Cleaving the framework of CuX with a tetrapyrazolyl-based ligand to construct [CuX]n-based coordination polymers","CrystEngComm","2011","13","5","1400","","10.1039/c0ce00513d","","","0.71073","MoKα","","0.1171","0.0679","","","0.172","0.2011","","","","","","1.01","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205409","14.01","0.003","16.294","0.003","14.793","0.003","90","","106.91","0.03","90","","3230.9","1.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H67 Br4 Cu4 N17 O0 -","- C48 H67 Br4 Cu4 N17 -","- C96 H134 Br8 Cu8 N34 -","2","0.25","","Zhang, Liang; Ren, Zhi-Gang; Li, Hong-Xi; Lang, Jian-Ping","Cleaving the framework of CuX with a tetrapyrazolyl-based ligand to construct [CuX]n-based coordination polymers","CrystEngComm","2011","13","5","1400","","10.1039/c0ce00513d","","","0.71073","MoKα","","0.0667","0.0412","","","0.1202","0.1308","","","","","","1.099","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205410","11.399","0.002","18.994","0.004","14.784","0.003","90","","94.84","0.03","90","","3189.5","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H3 Cu2 I2 N9 O0 -","- C25 H3 Cu2 I2 N9 -","- C100 H12 Cu8 I8 N36 -","4","1","","Zhang, Liang; Ren, Zhi-Gang; Li, Hong-Xi; Lang, Jian-Ping","Cleaving the framework of CuX with a tetrapyrazolyl-based ligand to construct [CuX]n-based coordination polymers","CrystEngComm","2011","13","5","1400","","10.1039/c0ce00513d","","","0.71073","MoKα","","0.0687","0.0501","","","0.1292","0.1426","","","","","","1.002","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205411","18.747","0.004","8.055","0.0016","20.321","0.004","90","","108.67","0.03","90","","2907.1","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H32 Cu2 N10 S2 -","- C25 H32 Cu2 N10 S2 -","- C100 H128 Cu8 N40 S8 -","4","1","","Zhang, Liang; Ren, Zhi-Gang; Li, Hong-Xi; Lang, Jian-Ping","Cleaving the framework of CuX with a tetrapyrazolyl-based ligand to construct [CuX]n-based coordination polymers","CrystEngComm","2011","13","5","1400","","10.1039/c0ce00513d","","","0.71073","MoKα","","0.0566","0.045","","","0.1096","0.117","","","","","","1.043","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205412","11.738","0.002","7.8457","0.0016","15.623","0.003","90","","97.05","0.03","90","","1427.9","0.5","293","2","293","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C25 H32 Cu3 N12 -","- C25 H32 Cu3 N12 -","- C50 H64 Cu6 N24 -","2","0.5","","Zhang, Liang; Ren, Zhi-Gang; Li, Hong-Xi; Lang, Jian-Ping","Cleaving the framework of CuX with a tetrapyrazolyl-based ligand to construct [CuX]n-based coordination polymers","CrystEngComm","2011","13","5","1400","","10.1039/c0ce00513d","","","0.71073","MoKα","","0.0456","0.0372","","","0.1047","0.1108","","","","","","1.007","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205413","21.2366","0.0019","16.6665","0.0019","20.151","0.002","90","","105.735","0.002","90","","6865","1.2","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C36 H116 Cu4 Ge2 Mo3.5 N12 O106 W20.5 -","- C36 Cu4 Ge2 Mo3.48 N12 O104 W20.52 -","- C72 Cu8 Ge4 Mo6.96 N24 O208 W41.04 -","2","0.25","","Wang, Yuchao; Xu, Lin; Jiang, Ning; Zhao, Lili; Li, Fengyan; Liu, Xizheng","Multidimensional frameworks constructed from Keggin-type heteropoly blue of molybdenum‒tungsten cluster","CrystEngComm","2011","13","2","410","","10.1039/c0ce00514b","","","0.71073","MoKα","","0.1023","0.0876","","","0.18","0.1864","","","","","","1.078","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7205414","12.5854","0.001","12.7542","0.001","21.544","0.0017","78.741","0.001","75.222","0.001","61.183","0.001","2919","0.4","296","2","296","2","","","","","","","","9","P -1","-P 1","2","","","","- C36 H88 Cu Ge2 K6 Mo4 N12 O92 W20 -","- C36 H84 Cu Ge2 K6 Mo3.868 N12 O92 W20.132 -","- C36 H84 Cu Ge2 K6 Mo3.868 N12 O92 W20.132 -","1","0.5","","Wang, Yuchao; Xu, Lin; Jiang, Ning; Zhao, Lili; Li, Fengyan; Liu, Xizheng","Multidimensional frameworks constructed from Keggin-type heteropoly blue of molybdenum‒tungsten cluster","CrystEngComm","2011","13","2","410","","10.1039/c0ce00514b","","","0.71073","MoKα","","0.0693","0.0445","","","0.0983","0.1104","","","","","","1","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205415","20.4711","0.0017","20.4711","0.0017","9.5827","0.0014","90","","90","","120","","3477.8","0.7","298","2","298","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- C27 H33 N O3 -","- C27 H33 N O3 -","- C162 H198 N6 O18 -","6","0.333333","","Dey, Sandeep Kumar; Pramanik, Avijit; Das, Gopal","Anion specificity induced conformational changes in cresol-based tripodal podands controlled by weak interactions: structural and Hirshfeld surface analysis","CrystEngComm","2011","13","5","1664","","10.1039/c0ce00518e","","","0.71073","MoKα","","0.0748","0.0547","","","0.122","0.1295","","","","","","1.043","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205416","12.5863","0.0001","12.5863","0.0001","28.7108","0.0005","90","","90","","120","","3938.87","0.08","298","2","298","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C27 H34 Cl N O7 -","- C27 H34 Cl N O7 -","- C162 H204 Cl6 N6 O42 -","6","0.333333","","Dey, Sandeep Kumar; Pramanik, Avijit; Das, Gopal","Anion specificity induced conformational changes in cresol-based tripodal podands controlled by weak interactions: structural and Hirshfeld surface analysis","CrystEngComm","2011","13","5","1664","","10.1039/c0ce00518e","","","0.71073","MoKα","","0.0449","0.0326","","","0.0848","0.0906","","","","","","0.956","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205417","10.5293","0.0002","10.721","0.0001","13.2388","0.0002","98.567","0.0012","109.224","0.001","97.028","0.0011","1371.67","0.04","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H34 Cl N O7 -","- C27 H34 Cl N O7 -","- C54 H68 Cl2 N2 O14 -","2","1","","Dey, Sandeep Kumar; Pramanik, Avijit; Das, Gopal","Anion specificity induced conformational changes in cresol-based tripodal podands controlled by weak interactions: structural and Hirshfeld surface analysis","CrystEngComm","2011","13","5","1664","","10.1039/c0ce00518e","","","0.71073","MoKα","","0.0914","0.0795","","","0.1937","0.2108","","","","","","1.078","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205418","13.5714","0.0002","14.9166","0.0002","15.3649","0.0003","93.257","0.0011","96.049","0.001","116.25","0.0011","2755.44","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H34 Cl N O7 -","- C27 H34 Cl N O7 -","- C108 H136 Cl4 N4 O28 -","4","2","","Dey, Sandeep Kumar; Pramanik, Avijit; Das, Gopal","Anion specificity induced conformational changes in cresol-based tripodal podands controlled by weak interactions: structural and Hirshfeld surface analysis","CrystEngComm","2011","13","5","1664","","10.1039/c0ce00518e","","","0.71073","MoKα","","0.0938","0.0654","","","0.199","0.232","","","","","","1.065","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205419","43.2178","0.0012","7.605","0.0002","17.6312","0.0004","90","","105.385","0.003","90","","5587.2","0.3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H38 Br N O5 -","- C27 H38 Br N O5 -","- C216 H304 Br8 N8 O40 -","8","1","","Dey, Sandeep Kumar; Pramanik, Avijit; Das, Gopal","Anion specificity induced conformational changes in cresol-based tripodal podands controlled by weak interactions: structural and Hirshfeld surface analysis","CrystEngComm","2011","13","5","1664","","10.1039/c0ce00518e","","","0.71073","MoKα","","0.1051","0.0352","","","0.0861","0.1094","","","","","","0.941","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205420","10.0888","0.0003","12.3654","0.0004","13.7716","0.0004","81.26","0.002","76.965","0.002","83.641","0.001","1649.1","0.09","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H36 N4 O10 -","- C33 H36 N4 O10 -","- C66 H72 N8 O20 -","2","1","","Dey, Sandeep Kumar; Pramanik, Avijit; Das, Gopal","Anion specificity induced conformational changes in cresol-based tripodal podands controlled by weak interactions: structural and Hirshfeld surface analysis","CrystEngComm","2011","13","5","1664","","10.1039/c0ce00518e","","","0.71073","MoKα","","0.0958","0.0529","","","0.1454","0.1646","","","","","","0.924","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205421","9.89","0.002","28.388","0.006","11.602","0.003","90","","92.896","0.009","90","","3253.2","1.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H36 N4 O10 -","- C33 H36 N4 O10 -","- C132 H144 N16 O40 -","4","1","","Dey, Sandeep Kumar; Pramanik, Avijit; Das, Gopal","Anion specificity induced conformational changes in cresol-based tripodal podands controlled by weak interactions: structural and Hirshfeld surface analysis","CrystEngComm","2011","13","5","1664","","10.1039/c0ce00518e","","","0.71073","MoKα","","0.176","0.0551","","","0.1256","0.1537","","","","","","0.98","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205422","13.4682","0.0013","13.6433","0.0013","20.291","0.002","90","","104.935","0.003","90","","3602.5","0.6","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H39 N O11 -","- C37 H39 N O11 -","- C148 H156 N4 O44 -","4","1","","Dey, Sandeep Kumar; Pramanik, Avijit; Das, Gopal","Anion specificity induced conformational changes in cresol-based tripodal podands controlled by weak interactions: structural and Hirshfeld surface analysis","CrystEngComm","2011","13","5","1664","","10.1039/c0ce00518e","","","0.71073","MoKα","","0.0982","0.0615","","","0.1328","0.1611","","","","","","0.937","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205423","7.5092","0.0016","10.629","0.002","13.198","0.003","93.501","0.004","98.322","0.003","108.989","0.004","979","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H14 Cd N4 O7 -","- C21 H14 Cd N4 O7 -","- C42 H28 Cd2 N8 O14 -","2","1","","Su, Zhi; Zhao, Yue; Chen, Min; Sun, Wei-Yin","Anion- and auxiliary ligand-directed synthesis of cadmium(ii) complexes with 3,5-di(1H-imidazol-1-yl)benzoate","CrystEngComm","2011","13","5","1539","","10.1039/c0ce00527d","","","0.71073","MoKα","","0.0292","0.0282","","","0.0724","0.073","","","","","","1.09","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205424","9.22","0.0018","18.831","0.004","10.75","0.002","90","","104.087","0.002","90","","1810.3","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H32 Cd2 N8 O13 -","- C34 H22 Cd2 N8 O13 -","- C68 H44 Cd4 N16 O26 -","2","0.5","","Su, Zhi; Zhao, Yue; Chen, Min; Sun, Wei-Yin","Anion- and auxiliary ligand-directed synthesis of cadmium(ii) complexes with 3,5-di(1H-imidazol-1-yl)benzoate","CrystEngComm","2011","13","5","1539","","10.1039/c0ce00527d","","","0.71073","MoKα","","0.0362","0.0299","","","0.0773","0.0794","","","","","","1.181","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205425","6.059","0.004","17.373","0.012","14.478","0.01","90","","90","0.001","90","","1524","1.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H11 Cd N4 O4 -","- C17 H11 Cd N4 O4 -","- C68 H44 Cd4 N16 O16 -","4","1","","Su, Zhi; Zhao, Yue; Chen, Min; Sun, Wei-Yin","Anion- and auxiliary ligand-directed synthesis of cadmium(ii) complexes with 3,5-di(1H-imidazol-1-yl)benzoate","CrystEngComm","2011","13","5","1539","","10.1039/c0ce00527d","","","0.71073","MoKα","","0.0374","0.0334","","","0.0767","0.0787","","","","","","1.015","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205426","8.254","0.003","9.984","0.005","13.965","0.005","78.013","0.013","87.68","0.04","69.43","0.02","1053.3","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H34 Cd3 N8 O16 -","- C42 H26 Cd3 N8 O16 -","- C42 H26 Cd3 N8 O16 -","1","0.5","","Su, Zhi; Zhao, Yue; Chen, Min; Sun, Wei-Yin","Anion- and auxiliary ligand-directed synthesis of cadmium(ii) complexes with 3,5-di(1H-imidazol-1-yl)benzoate","CrystEngComm","2011","13","5","1539","","10.1039/c0ce00527d","","","0.71073","MoKα","","0.0376","0.0332","","","0.0893","0.0926","","","","","","1.035","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205427","10.5555","0.0007","10.755","0.001","10.9889","0.0008","70.527","0.01","81.613","0.002","85.343","0.001","1162.86","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H16 Cd2 N4 O10 -","- C22 H16 Cd2 N4 O10 -","- C44 H32 Cd4 N8 O20 -","2","1","","Su, Zhi; Zhao, Yue; Chen, Min; Sun, Wei-Yin","Anion- and auxiliary ligand-directed synthesis of cadmium(ii) complexes with 3,5-di(1H-imidazol-1-yl)benzoate","CrystEngComm","2011","13","5","1539","","10.1039/c0ce00527d","","","0.71073","MoKα","","0.0309","0.027","","","0.0687","0.0706","","","","","","0.999","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205428","16.3233","0.0005","9.9385","0.0004","10.9883","0.0004","90","","90","","90","","1782.62","0.11","90","1","90","1","","","","","","","see text","4","A b a 2","A 2 -2ab","41","","But-2-yne-1,4-diyl bis(2,3,4,5,6-pentafluorophenylcarbonate)","","- C18 H4 F10 O6 -","- C18 H4 F10 O6 -","- C72 H16 F40 O24 -","4","","","Dikundwar, Amol G.; Venkateswarlu, Ch.; Piltz, Ross O.; Chandrasekaran, Srinivasan; Guru Row, Tayur N.","Crystal structures of fluorinated aryl biscarbonates and a biscarbamate: a counterpoise between weak intermolecular interactions and molecular symmetry","CrystEngComm","2011","13","5","1531","","10.1039/c0ce00537a","","x-ray","0.71073","MoKα","","0.0508","0.0397","","","0.105","0.1128","","","","","","1.053","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205429","16.3233","0.0005","9.9385","0.0004","10.9883","0.0004","90","","90","","90","","1782.62","0.11","90","1","90","1","","","","","","","see text","4","A b a 2","A 2 -2ab","41","","But-2-yne-1,4-diyl bis(2,3,4,5,6-pentafluorophenylcarbonate)","","- C18 H4 F10 O6 -","- C18 H4 F10 O6 -","- C72 H16 F40 O24 -","4","","","Dikundwar, Amol G.; Venkateswarlu, Ch.; Piltz, Ross O.; Chandrasekaran, Srinivasan; Guru Row, Tayur N.","Crystal structures of fluorinated aryl biscarbonates and a biscarbamate: a counterpoise between weak intermolecular interactions and molecular symmetry","CrystEngComm","2011","13","5","1531","","10.1039/c0ce00537a","","neutron","0.7","Neutron","","0.0416","0.0318","","","0.0586","0.0619","","","","","","1.096","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205430","14.2326","0.0014","4.0156","0.0005","13.8877","0.0012","90","","98.5","0.009","90","","785","0.14","150","1","150","1","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","But-2-yne-1,4-diyl bis(4-fluorophenylcarbonate)","","- C18 H12 F2 O6 -","- C18 H12 F2 O6 -","- C36 H24 F4 O12 -","2","0.5","","Dikundwar, Amol G.; Venkateswarlu, Ch.; Piltz, Ross O.; Chandrasekaran, Srinivasan; Guru Row, Tayur N.","Crystal structures of fluorinated aryl biscarbonates and a biscarbamate: a counterpoise between weak intermolecular interactions and molecular symmetry","CrystEngComm","2011","13","5","1531","","10.1039/c0ce00537a","","x-ray","0.71073","MoKα","","0.0477","0.0343","","","0.0864","0.0899","","","","","","1.053","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205431","6.8592","0.0005","4.8508","0.0003","27.201","0.002","90","","102.247","0.006","90","","884.45","0.11","150","1","150","1","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","But-2-yne-1,4-diyl bis(2,3,4,5,6-pentafluorophenylcarbamate)","","- C18 H6 F10 N2 O4 -","- C18 H6 F10 N2 O4 -","- C36 H12 F20 N4 O8 -","2","0.5","","Dikundwar, Amol G.; Venkateswarlu, Ch.; Piltz, Ross O.; Chandrasekaran, Srinivasan; Guru Row, Tayur N.","Crystal structures of fluorinated aryl biscarbonates and a biscarbamate: a counterpoise between weak intermolecular interactions and molecular symmetry","CrystEngComm","2011","13","5","1531","","10.1039/c0ce00537a","","x-ray","0.71073","MoKα","","0.054","0.0344","","","0.0805","0.0842","","","","","","1.002","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205432","5.8951","0.0009","10.1943","0.0016","17.245","0.002","90","","108.115","0.005","90","","985","0.2","150","1","150","1","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","Hexa-2,4-diyne-1,6-diyl bis(2,3,4,5,6-pentafluorophenylcarbonate)","Hexa-2,4-diyne-1,6-diyl bis(2,3,4,5,6-pentafluorophenylcarbonate)","","- C20 H4 F10 O6 -","- C20 H4 F10 O6 -","- C40 H8 F20 O12 -","2","0.5","","Dikundwar, Amol G.; Venkateswarlu, Ch.; Piltz, Ross O.; Chandrasekaran, Srinivasan; Guru Row, Tayur N.","Crystal structures of fluorinated aryl biscarbonates and a biscarbamate: a counterpoise between weak intermolecular interactions and molecular symmetry","CrystEngComm","2011","13","5","1531","","10.1039/c0ce00537a","","x-ray","0.71073","MoKα","","0.067","0.0502","","","0.114","0.12","","","","","","1.152","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205433","6.6399","0.0013","9.959","0.002","14.116","0.003","79.8","0.03","87.28","0.03","84.3","0.03","913.7","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H13 Ag N4 O4 -","- C20 H13 Ag N4 O4 -","- C40 H26 Ag2 N8 O8 -","2","1","","Sun, Di; Wei, Zhan-Hua; Yang, Cheng-Feng; Wang, Dan-Feng; Zhang, Na; Huang, Rong-Bin; Zheng, Lan-Sun","pH-Dependent Ag(i) coordination architectures constructed from 4-cyanopyridine and phthalic acid: from discrete structure to 2D sheet","CrystEngComm","2011","13","5","1591","","10.1039/c0ce00539h","","","0.71073","MoKα","","0.0264","0.0245","","","0.0601","0.0613","","","","","","1.057","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205434","7.8033","0.0016","12.222","0.002","14.569","0.003","108.39","0.03","99.67","0.03","95.65","0.03","1282.6","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H36 Ag4 N8 O16 -","- C56 H36 Ag4 N8 O16 -","- C56 H36 Ag4 N8 O16 -","1","0.5","","Sun, Di; Wei, Zhan-Hua; Yang, Cheng-Feng; Wang, Dan-Feng; Zhang, Na; Huang, Rong-Bin; Zheng, Lan-Sun","pH-Dependent Ag(i) coordination architectures constructed from 4-cyanopyridine and phthalic acid: from discrete structure to 2D sheet","CrystEngComm","2011","13","5","1591","","10.1039/c0ce00539h","","","0.71073","MoKα","","0.1087","0.0885","","","0.2239","0.2584","","","","","","1.035","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205435","33.834","0.007","6.0198","0.0012","14.566","0.003","90","","109.49","0.03","90","","2796.7","1.1","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H18 Ag4 N4 O9 -","- C28 H18 Ag4 N4 O9 -","- C112 H72 Ag16 N16 O36 -","4","1","","Sun, Di; Wei, Zhan-Hua; Yang, Cheng-Feng; Wang, Dan-Feng; Zhang, Na; Huang, Rong-Bin; Zheng, Lan-Sun","pH-Dependent Ag(i) coordination architectures constructed from 4-cyanopyridine and phthalic acid: from discrete structure to 2D sheet","CrystEngComm","2011","13","5","1591","","10.1039/c0ce00539h","","","0.71073","MoKα","","0.0179","0.0173","","","0.0408","0.0424","","","","","","1.041","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205436","9.906","0.002","11.06","0.002","11.52","0.002","69.44","0.03","70.84","0.03","87.16","0.03","1113.2","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 Ag2 N4 O9 -","- C20 H22 Ag2 N4 O9 -","- C40 H44 Ag4 N8 O18 -","2","1","","Sun, Di; Wei, Zhan-Hua; Yang, Cheng-Feng; Wang, Dan-Feng; Zhang, Na; Huang, Rong-Bin; Zheng, Lan-Sun","pH-Dependent Ag(i) coordination architectures constructed from 4-cyanopyridine and phthalic acid: from discrete structure to 2D sheet","CrystEngComm","2011","13","5","1591","","10.1039/c0ce00539h","","","0.71073","MoKα","","0.0451","0.0388","","","0.1033","0.1072","","","","","","1.094","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205437","5.113","0.005","15.131","0.005","15.413","0.005","108.414","0.005","94.125","0.005","96.846","0.005","1115.7","1.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H36 F6 N8 O8 S2 -","- C46 H36 F6 N8 O8 S2 -","- C46 H36 F6 N8 O8 S2 -","1","0.5","","Peterson, Matthew L.; Stanton, Mary K.; Kelly, Ron C.; Staples, Richard; Cheng, Alan","Preparation, solid state characterization, and single crystal structure analysis of N-(4-(6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yloxy)benzo[d]thiazol-2-yl)acetamide crystal forms","CrystEngComm","2011","13","4","1170","","10.1039/c0ce00544d","","x-ray","0.71073","MoKα","","0.1998","0.107","","","0.2886","0.339","","","","","","0.979","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205438","4.8813","0.0011","10.601","0.002","18.823","0.004","96.91","0.004","91.332","0.004","98.65","0.004","955.1","0.3","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H15 F3 N4 O3 S -","- C20 H15 F3 N4 O3 S -","- C40 H30 F6 N8 O6 S2 -","2","1","","Peterson, Matthew L.; Stanton, Mary K.; Kelly, Ron C.; Staples, Richard; Cheng, Alan","Preparation, solid state characterization, and single crystal structure analysis of N-(4-(6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yloxy)benzo[d]thiazol-2-yl)acetamide crystal forms","CrystEngComm","2011","13","4","1170","","10.1039/c0ce00544d","","","0.71073","MoKα","","0.0651","0.0484","","","0.1159","0.1261","","","","","","1.034","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205439","4.6294","0.0001","11.297","0.0003","24.1522","0.0007","89.9","0.002","86.295","0.001","81.042","0.002","1245.06","0.06","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H21 F3 N4 O6 S -","- C25 H21 F3 N4 O6 S -","- C50 H42 F6 N8 O12 S2 -","2","1","","Peterson, Matthew L.; Stanton, Mary K.; Kelly, Ron C.; Staples, Richard; Cheng, Alan","Preparation, solid state characterization, and single crystal structure analysis of N-(4-(6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yloxy)benzo[d]thiazol-2-yl)acetamide crystal forms","CrystEngComm","2011","13","4","1170","","10.1039/c0ce00544d","","","1.54178","CuKα","","0.0748","0.0585","","","0.1162","0.1256","","","","","","1.046","","","","has coordinates,has disorder","180385","2020-10-21","18:00:00",""
"7205440","10.0502","0.0002","5.6882","0.0002","19.3565","0.0004","90","","97.058","0.002","90","","1098.18","0.05","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H17 F3 N4 O5 S -","- C22 H17 F3 N4 O5 S -","- C44 H34 F6 N8 O10 S2 -","2","1","","Peterson, Matthew L.; Stanton, Mary K.; Kelly, Ron C.; Staples, Richard; Cheng, Alan","Preparation, solid state characterization, and single crystal structure analysis of N-(4-(6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yloxy)benzo[d]thiazol-2-yl)acetamide crystal forms","CrystEngComm","2011","13","4","1170","","10.1039/c0ce00544d","","x-ray","1.54178","CuKα","","0.0419","0.038","","","0.0927","0.0954","","","","","","1.085","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205441","30.9755","0.0004","6.7922","0.0001","41.2428","0.0004","90","","94.597","0.001","90","","8649.23","0.19","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H15.5 F3 N4 O3.75 S -","- C21 H15.5 F3 N4 O3.75 S -","- C336 H248 F48 N64 O60 S16 -","16","2","","Peterson, Matthew L.; Stanton, Mary K.; Kelly, Ron C.; Staples, Richard; Cheng, Alan","Preparation, solid state characterization, and single crystal structure analysis of N-(4-(6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yloxy)benzo[d]thiazol-2-yl)acetamide crystal forms","CrystEngComm","2011","13","4","1170","","10.1039/c0ce00544d","","x-ray","1.54178","CuKα","","0.0861","0.0698","","","0.1821","0.1923","","","","","","1.087","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7205442","4.7288","0.0011","9.1387","0.0019","30.731","0.006","93.847","0.014","94.068","0.015","98.881","0.014","1304.7","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H24 F3 N4 O5 S -","- C26 H24 F3 N4 O5 S -","- C52 H48 F6 N8 O10 S2 -","2","1","","Peterson, Matthew L.; Stanton, Mary K.; Kelly, Ron C.; Staples, Richard; Cheng, Alan","Preparation, solid state characterization, and single crystal structure analysis of N-(4-(6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yloxy)benzo[d]thiazol-2-yl)acetamide crystal forms","CrystEngComm","2011","13","4","1170","","10.1039/c0ce00544d","","x-ray","1.54178","CuKα","","0.19","0.1015","","","0.2674","0.334","","","","","","1.016","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205443","4.8341","0.0001","20.1082","0.0005","27.8986","0.0009","76.114","0.001","88.138","0.002","88.318","0.001","2630.59","0.12","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H25 F3 N4 O5 S -","- C26 H25 F3 N4 O5 S -","- C104 H100 F12 N16 O20 S4 -","4","2","","Peterson, Matthew L.; Stanton, Mary K.; Kelly, Ron C.; Staples, Richard; Cheng, Alan","Preparation, solid state characterization, and single crystal structure analysis of N-(4-(6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yloxy)benzo[d]thiazol-2-yl)acetamide crystal forms","CrystEngComm","2011","13","4","1170","","10.1039/c0ce00544d","","x-ray","1.54178","CuKα","","0.0602","0.0481","","","0.1243","0.1323","","","","","","1.104","","","","has coordinates,has disorder","180385","2020-10-21","18:00:00",""
"7205444","4.2653","0.0001","10.5529","0.0004","26.0208","0.0007","79.685","0.003","86.626","0.003","85.887","0.003","1148.07","0.06","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C23 H19 F3 N4 O5 S -","- C23 H19 F3 N4 O5 S -","- C46 H38 F6 N8 O10 S2 -","2","2","","Peterson, Matthew L.; Stanton, Mary K.; Kelly, Ron C.; Staples, Richard; Cheng, Alan","Preparation, solid state characterization, and single crystal structure analysis of N-(4-(6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yloxy)benzo[d]thiazol-2-yl)acetamide crystal forms","CrystEngComm","2011","13","4","1170","","10.1039/c0ce00544d","","x-ray","1.54178","CuKα","","0.0685","0.0594","","","0.1481","0.1544","","","","","","1.057","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205445","19.0132","0.0004","4.519","0.0001","26.8556","0.0004","90","","98.814","0.001","90","","2280.2","0.08","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H19 F3 N4 O5 S -","- C23 H19 F3 N4 O5 S -","- C92 H76 F12 N16 O20 S4 -","4","2","","Peterson, Matthew L.; Stanton, Mary K.; Kelly, Ron C.; Staples, Richard; Cheng, Alan","Preparation, solid state characterization, and single crystal structure analysis of N-(4-(6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yloxy)benzo[d]thiazol-2-yl)acetamide crystal forms","CrystEngComm","2011","13","4","1170","","10.1039/c0ce00544d","","x-ray","1.54178","CuKα","","0.091","0.0651","","","0.1546","0.1712","","","","","","1.034","","","","has coordinates,has disorder","180385","2020-10-21","18:00:00",""
"7205446","9.396","0.006","13.535","0.008","17.036","0.01","104.757","0.008","91.076","0.007","90.354","0.008","2095","2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H29 F6 N8 O8 S2 -","- C44 H29 F6 N8 O8 S2 -","- C88 H58 F12 N16 O16 S4 -","2","1","","Peterson, Matthew L.; Stanton, Mary K.; Kelly, Ron C.; Staples, Richard; Cheng, Alan","Preparation, solid state characterization, and single crystal structure analysis of N-(4-(6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yloxy)benzo[d]thiazol-2-yl)acetamide crystal forms","CrystEngComm","2011","13","4","1170","","10.1039/c0ce00544d","","","0.71073","MoKα","","0.2087","0.1016","","","0.2283","0.2929","","","","","","0.986","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205447","11.3294","0.0002","13.7454","0.0003","15.9536","0.0004","112.029","0.001","90.006","0.002","112.28","0.001","2101.56","0.08","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H32 F6 N8 O8 S2 -","- C44 H32 F6 N8 O8 S2 -","- C88 H64 F12 N16 O16 S4 -","2","1","","Peterson, Matthew L.; Stanton, Mary K.; Kelly, Ron C.; Staples, Richard; Cheng, Alan","Preparation, solid state characterization, and single crystal structure analysis of N-(4-(6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yloxy)benzo[d]thiazol-2-yl)acetamide crystal forms","CrystEngComm","2011","13","4","1170","","10.1039/c0ce00544d","","x-ray","1.54178","CuKα","","0.0637","0.0472","","","0.1204","0.1309","","","","","","1.023","","","","has coordinates","205752","2020-10-21","18:00:00",""
"7205448","14.506","0.005","6.418","0.002","16.25","0.005","90","","109.421","0.004","90","","1426.8","0.8","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H12 Ag3 N7 -","- C9 H12 Ag3 N7 -","- C36 H48 Ag12 N28 -","4","0.5","","Ling, Yun; Chen, Zhen-Xia; Zhou, Ya-Ming; Weng, Lin-Hong; Zhao, Dong-Yuan","A novel green phosphorescent silver(i) coordination polymer with three-fold interpenetrated CdSO4-type net generated via in situ reaction","CrystEngComm","2011","13","5","1504","","10.1039/c0ce00546k","","","0.71073","MoKα","","0.0361","0.0311","","","0.074","0.0761","","","","","","0.984","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205449","7.252","0.004","11.319","0.007","15.859","0.009","80.714","0.007","85.325","0.007","78.239","0.007","1256.2","1.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H40 Ag7 Cl N18 O6 -","- C24 H36 Ag7 Cl N18 O6 -","- C24 H36 Ag7 Cl N18 O6 -","1","0.5","","Ling, Yun; Chen, Zhen-Xia; Zhou, Ya-Ming; Weng, Lin-Hong; Zhao, Dong-Yuan","A novel green phosphorescent silver(i) coordination polymer with three-fold interpenetrated CdSO4-type net generated via in situ reaction","CrystEngComm","2011","13","5","1504","","10.1039/c0ce00546k","","","0.71073","MoKα","","0.06","0.049","","","0.1406","0.147","","","","","","1.054","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205450","21.816","0.009","21.816","0.009","6.881","0.004","90","","90","","90","","3275","3","293","2","293","2","","","","","","","","6","I 4/m c m","-I 4 2c","140","","","","- C16 H27 Ag6 Cl N12 O2 -","- C16 H24 Ag6 Cl N12 O2 -","- C64 H96 Ag24 Cl4 N48 O8 -","4","0.125","","Ling, Yun; Chen, Zhen-Xia; Zhou, Ya-Ming; Weng, Lin-Hong; Zhao, Dong-Yuan","A novel green phosphorescent silver(i) coordination polymer with three-fold interpenetrated CdSO4-type net generated via in situ reaction","CrystEngComm","2011","13","5","1504","","10.1039/c0ce00546k","","","0.71073","MoKα","","0.0479","0.038","","","0.0982","0.1026","","","","","","1.14","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205451","9.287","0.003","7.0017","0.0019","13.168","0.004","90","","91.941","0.004","90","","855.8","0.4","295","2","295","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H13 Cl N4 O3 Zn -","- C20 H13 Cl N4 O3 Zn -","- C40 H26 Cl2 N8 O6 Zn2 -","2","1","","Wei, Yongqin; Wu, Kechen; He, Jiangang; Zheng, Wengxu; Xiao, Xueying","A chirally helical coordination polymer self-assembled with the ligand 2-(2-carboxyphenyl)imidazo(4,5-f)(1,10)phenanthroline: crystal structure, SHG response and tunable photoluminescence","CrystEngComm","2011","13","1","52","","10.1039/c0ce00547a","","","0.71073","MoKα","","0.0354","0.0292","","","0.0772","0.0974","","","","","","1.041","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205452","9.291","0.005","7.006","0.003","13.182","0.006","90","","91.935","0.007","90","","857.6","0.7","295","2","295","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H13 Cl N4 O3 Zn -","- C20 H13 Cl N4 O3 Zn -","- C40 H26 Cl2 N8 O6 Zn2 -","2","1","","Wei, Yongqin; Wu, Kechen; He, Jiangang; Zheng, Wengxu; Xiao, Xueying","A chirally helical coordination polymer self-assembled with the ligand 2-(2-carboxyphenyl)imidazo(4,5-f)(1,10)phenanthroline: crystal structure, SHG response and tunable photoluminescence","CrystEngComm","2011","13","1","52","","10.1039/c0ce00547a","","","0.71073","MoKα","","0.0425","0.0336","","","0.0854","0.1136","","","","","","0.962","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205453","13.785","0.003","15.175","0.003","19.161","0.004","86.08","0.03","71.73","0.03","73.39","0.03","3646.4","1.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C63 H64 N9 O23 Yb3 -","- C63 H49 N9 O23 Yb3 -","- C126 H98 N18 O46 Yb6 -","2","1","","Yan, Peng-Fei; Chen, Shuo; Chen, Peng; Zhang, Ju-Wen; Li, Guang-Ming","Novel quadridentate salen type triple-decker sandwich ytterbium complexes with near infrared luminescence","CrystEngComm","2011","13","1","36","","10.1039/c0ce00553c","","","0.71073","MoKα","","0.2273","0.0897","","","0.1896","0.2474","","","","","","0.988","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205454","14.504","0.003","23.595","0.007","18.676","0.007","90","","124.2","0.04","90","","5286","4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C61 H47 N6 O7.5 Yb2 -","- C61 H47 N6 O7.5 Yb2 -","- C244 H188 N24 O30 Yb8 -","4","1","","Yan, Peng-Fei; Chen, Shuo; Chen, Peng; Zhang, Ju-Wen; Li, Guang-Ming","Novel quadridentate salen type triple-decker sandwich ytterbium complexes with near infrared luminescence","CrystEngComm","2011","13","1","36","","10.1039/c0ce00553c","","","0.71073","MoKα","","0.0808","0.0519","","","0.0998","0.1111","","","","","","1.041","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205455","27.772","0.016","15.198","0.009","15.174","0.009","90","","104.897","0.013","90","","6189","6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H54 Co3 N6 O12 -","- C72 H54 Co3 N6 O12 -","- C288 H216 Co12 N24 O48 -","4","0.5","","Luo, Feng; Zou, Jin; Ning, Yang; Wang, Yong; Feng, Xue-Feng; Yan, Gui-le; Wei, Fan-shu; Luo, Wen-wu; Xu, Wen-yuan; Huang, Guo-lin","New topology observed in highly rare interlaced triple-stranded molecular braid","CrystEngComm","2011","13","2","421","","10.1039/c0ce00564a","","","0.71073","MoKα","","0.1165","0.0682","","","0.1695","0.1963","","","","","","1.039","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205456","13.483","0.003","13.994","0.003","17.054","0.003","69.26","0.03","82.67","0.03","89.13","0.03","2983.1","1.2","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H58 N4 O14 Zn4 -","- C70 H58 N4 O14 Zn4 -","- C140 H116 N8 O28 Zn8 -","2","1","","Liu, Dong; Chang, Yu-Jie; Lang, Jian-Ping","Ligand geometry-driven formation of different coordination polymers from Zn(NO3)2, 1,4-bpeb and phenylenediacetic acids","CrystEngComm","2011","13","6","1851","","10.1039/c0ce00575d","","","0.71073","MoKα","","0.0565","0.0473","","","0.0998","0.1049","","","","","","1.096","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205457","9.5105","0.0019","9.829","0.002","14.496","0.003","106.93","0.03","97.29","0.03","102.26","0.03","1240.7","0.6","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 N2 O4 Zn -","- C30 H24 N2 O4 Zn -","- C60 H48 N4 O8 Zn2 -","2","1","","Liu, Dong; Chang, Yu-Jie; Lang, Jian-Ping","Ligand geometry-driven formation of different coordination polymers from Zn(NO3)2, 1,4-bpeb and phenylenediacetic acids","CrystEngComm","2011","13","6","1851","","10.1039/c0ce00575d","","","0.71073","MoKα","","0.0492","0.0373","","","0.083","0.0879","","","","","","1.056","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205458","25.029","0.005","5.8653","0.0012","20.98","0.004","90","","92.38","0.03","90","","3077.3","1.1","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H28 N2 O6 Zn -","- C30 H28 N2 O6 Zn -","- C120 H112 N8 O24 Zn4 -","4","0.5","","Liu, Dong; Chang, Yu-Jie; Lang, Jian-Ping","Ligand geometry-driven formation of different coordination polymers from Zn(NO3)2, 1,4-bpeb and phenylenediacetic acids","CrystEngComm","2011","13","6","1851","","10.1039/c0ce00575d","","","0.71073","MoKα","","0.0726","0.0624","","","0.1782","0.1897","","","","","","1.128","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205459","14.4305","0.0015","9.9821","0.0009","25.489","0.002","90","","90.917","0.001","90","","3671.1","0.6","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 Cd2 I4 N12 -","- C28 H24 Cd2 I4 N12 -","- C112 H96 Cd8 I16 N48 -","4","0.5","","Zhai, Quan-Guo; Gao, Xia; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Solvothermal synthesis, crystal structures and photoluminescence properties of the novel Cd/X/α,ω-bis(benzotriazole)alkane hybrid family (X = Cl, Br and I)","CrystEngComm","2011","13","5","1602","","10.1039/c0ce00581a","","","0.71073","MoKα","","0.1141","0.0908","","","0.1886","0.2025","","","","","","1.158","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205460","18.1301","0.0019","8.2353","0.0007","24.658","0.002","90","","101.996","0.002","90","","3601.2","0.6","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 Br6 Cd3 N12 -","- C28 H24 Br6 Cd3 N12 -","- C112 H96 Br24 Cd12 N48 -","4","0.5","","Zhai, Quan-Guo; Gao, Xia; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Solvothermal synthesis, crystal structures and photoluminescence properties of the novel Cd/X/α,ω-bis(benzotriazole)alkane hybrid family (X = Cl, Br and I)","CrystEngComm","2011","13","5","1602","","10.1039/c0ce00581a","","","0.71073","MoKα","","0.0512","0.0355","","","0.0908","0.0959","","","","","","1.03","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205461","25.887","0.002","6.751","0.001","25.753","0.002","90","","104.269","0.002","90","","4361.8","0.8","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 Cd5 Cl10 N12 -","- C28 H24 Cd5 Cl10 N12 -","- C112 H96 Cd20 Cl40 N48 -","4","0.5","","Zhai, Quan-Guo; Gao, Xia; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Solvothermal synthesis, crystal structures and photoluminescence properties of the novel Cd/X/α,ω-bis(benzotriazole)alkane hybrid family (X = Cl, Br and I)","CrystEngComm","2011","13","5","1602","","10.1039/c0ce00581a","","","0.71073","MoKα","","0.0978","0.0593","","","0.1487","0.1871","","","","","","1.121","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205462","9.9448","0.0011","23.481","0.003","9.1979","0.0012","90","","112.179","0.001","90","","1988.9","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 Cd I2 N6 -","- C15 H14 Cd I2 N6 -","- C60 H56 Cd4 I8 N24 -","4","1","","Zhai, Quan-Guo; Gao, Xia; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Solvothermal synthesis, crystal structures and photoluminescence properties of the novel Cd/X/α,ω-bis(benzotriazole)alkane hybrid family (X = Cl, Br and I)","CrystEngComm","2011","13","5","1602","","10.1039/c0ce00581a","","","0.71073","MoKα","","0.0526","0.0342","","","0.0649","0.0729","","","","","","1.071","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205463","10.5203","0.0009","23.232","0.003","8.5244","0.0007","90","","111.578","0.001","90","","1937.4","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Br2 Cd N6 -","- C16 H16 Br2 Cd N6 -","- C64 H64 Br8 Cd4 N24 -","4","1","","Zhai, Quan-Guo; Gao, Xia; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Solvothermal synthesis, crystal structures and photoluminescence properties of the novel Cd/X/α,ω-bis(benzotriazole)alkane hybrid family (X = Cl, Br and I)","CrystEngComm","2011","13","5","1602","","10.1039/c0ce00581a","","","0.71073","MoKα","","0.0454","0.0347","","","0.0757","0.079","","","","","","1.11","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205464","10.2326","0.0011","12.402","0.0017","16.713","0.002","90","","91.978","0.001","90","","2119.7","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 Br2 Cd N6 -","- C18 H20 Br2 Cd N6 -","- C72 H80 Br8 Cd4 N24 -","4","1","","Zhai, Quan-Guo; Gao, Xia; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Solvothermal synthesis, crystal structures and photoluminescence properties of the novel Cd/X/α,ω-bis(benzotriazole)alkane hybrid family (X = Cl, Br and I)","CrystEngComm","2011","13","5","1602","","10.1039/c0ce00581a","","","0.71073","MoKα","","0.0409","0.0263","","","0.0572","0.0618","","","","","","1.017","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205465","16.8129","0.0018","57.479","0.004","9.5157","0.0013","90","","98.392","0.001","90","","9097.4","1.7","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C72 H80 Cd4 I8 N24 -","- C72 H80 Cd4 I8 N24 -","- C288 H320 Cd16 I32 N96 -","4","1","","Zhai, Quan-Guo; Gao, Xia; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Solvothermal synthesis, crystal structures and photoluminescence properties of the novel Cd/X/α,ω-bis(benzotriazole)alkane hybrid family (X = Cl, Br and I)","CrystEngComm","2011","13","5","1602","","10.1039/c0ce00581a","","","0.71073","MoKα","","0.1302","0.0615","","","0.1389","0.178","","","","","","1.044","","","","has coordinates,has disorder","180385","2020-10-21","18:00:00",""
"7205466","6.7587","0.0002","19.4871","0.0008","31.012","0.0011","90","","90","","90","","4084.5","0.3","296","2","296","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C24 H18 O2 S2 -","- C24 H18 O2 S2 -","- C192 H144 O16 S16 -","8","1","","Jali, Bigyan R.; Singh, Marjit W.; Baruah, J. B.","Polymorphs of aromatic thiolato 1, 2 or 1,4-naphthoquinones","CrystEngComm","2011","13","3","763","","10.1039/c0ce00591f","","","0.71073","MoKα","","0.0944","0.0555","","","0.1529","0.1771","","","","","","1.053","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205467","16.3268","0.0005","22.014","0.0008","5.3481","0.0001","90","","90","","90","","1922.2","0.1","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C24 H18 O2 S2 -","- C24 H18 O2 S2 -","- C96 H72 O8 S8 -","4","0.5","","Jali, Bigyan R.; Singh, Marjit W.; Baruah, J. B.","Polymorphs of aromatic thiolato 1, 2 or 1,4-naphthoquinones","CrystEngComm","2011","13","3","763","","10.1039/c0ce00591f","","","0.71073","MoKα","","0.178","0.0807","","","0.2293","0.2911","","","","","","1.025","","","","has coordinates,has disorder","180385","2020-10-21","18:00:00",""
"7205468","4.5694","0.0004","23.812","0.002","11.7744","0.0009","90","","99.299","0.006","90","","1264.3","0.18","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 O2 S -","- C16 H10 O2 S -","- C64 H40 O8 S4 -","4","1","","Jali, Bigyan R.; Singh, Marjit W.; Baruah, J. B.","Polymorphs of aromatic thiolato 1, 2 or 1,4-naphthoquinones","CrystEngComm","2011","13","3","763","","10.1039/c0ce00591f","","","0.71073","MoKα","","0.0887","0.0528","","","0.1389","0.1661","","","","","","0.969","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205469","7.7573","0.0009","8.3355","0.0008","10.1969","0.0011","75.158","0.007","89.963","0.007","86.091","0.007","635.76","0.12","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H10 O2 S -","- C16 H10 O2 S -","- C32 H20 O4 S2 -","2","1","","Jali, Bigyan R.; Singh, Marjit W.; Baruah, J. B.","Polymorphs of aromatic thiolato 1, 2 or 1,4-naphthoquinones","CrystEngComm","2011","13","3","763","","10.1039/c0ce00591f","","","0.71073","MoKα","","0.0491","0.0402","","","0.1327","0.1467","","","","","","1.084","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205470","10.0492","0.0005","10.7503","0.0004","11.8342","0.0005","85.893","0.002","77.451","0.0019","66.043","0.002","1140.22","0.09","150","1","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H17 B N6 O -","- C30 H17 B N6 O -","- C60 H34 B2 N12 O2 -","2","1","","Paton, Andrew S.; Morse, Graham E.; Lough, Alan J.; Bender, Timothy P.","Observations regarding the crystal structures of non-halogenated phenoxyboronsubphthalocyanines having para substituents on the phenoxy group","CrystEngComm","2011","13","3","914","","10.1039/c0ce00599a","","","0.71073","MoKα","","0.079","0.0519","","","0.1262","0.1448","","","","","","1.055","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205471","10.1555","0.0003","10.9258","0.0004","11.7215","0.0004","86.353","0.0017","78.496","0.002","66.987","0.0018","1172.88","0.07","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C31 H19 B N6 O -","- C31 H19 B N6 O -","- C62 H38 B2 N12 O2 -","2","1","","Paton, Andrew S.; Morse, Graham E.; Lough, Alan J.; Bender, Timothy P.","Observations regarding the crystal structures of non-halogenated phenoxyboronsubphthalocyanines having para substituents on the phenoxy group","CrystEngComm","2011","13","3","914","","10.1039/c0ce00599a","","","0.71073","MoKα","","0.0651","0.0465","","","0.1138","0.1264","","","","","","1.058","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205472","8.5535","0.0002","12.7466","0.0004","13.2395","0.0004","79.9663","0.0014","78.2792","0.0016","70.9358","0.0017","1326.75","0.07","150","1","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H25 B N6 O -","- C34 H25 B N6 O -","- C68 H50 B2 N12 O2 -","2","1","","Paton, Andrew S.; Morse, Graham E.; Lough, Alan J.; Bender, Timothy P.","Observations regarding the crystal structures of non-halogenated phenoxyboronsubphthalocyanines having para substituents on the phenoxy group","CrystEngComm","2011","13","3","914","","10.1039/c0ce00599a","","","0.71073","MoKα","","0.1178","0.0601","","","0.1434","0.1787","","","","","","1.045","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205473","16.453","0.0004","11.9941","0.0002","17.5406","0.0004","90","","108.19","0.0011","90","","3288.46","0.12","150","1","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H36 B N6 O -","- C41 H36 B N6 O -","- C164 H144 B4 N24 O4 -","4","1","","Paton, Andrew S.; Morse, Graham E.; Lough, Alan J.; Bender, Timothy P.","Observations regarding the crystal structures of non-halogenated phenoxyboronsubphthalocyanines having para substituents on the phenoxy group","CrystEngComm","2011","13","3","914","","10.1039/c0ce00599a","","","0.71073","MoKα","","0.1108","0.0562","","","0.1309","0.1595","","","","","","1.051","","","","has coordinates,has disorder","180385","2020-10-21","18:00:00",""
"7205474","10.042","0.0003","10.7558","0.0004","11.7366","0.0004","85.821","0.0018","77.156","0.0019","66.582","0.0019","1133.97","0.07","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C30 H16 B F N6 O -","- C30 H16 B F N6 O -","- C60 H32 B2 F2 N12 O2 -","2","1","","Paton, Andrew S.; Morse, Graham E.; Lough, Alan J.; Bender, Timothy P.","Observations regarding the crystal structures of non-halogenated phenoxyboronsubphthalocyanines having para substituents on the phenoxy group","CrystEngComm","2011","13","3","914","","10.1039/c0ce00599a","","","0.71073","MoKα","","0.1005","0.0553","","","0.1262","0.1536","","","","","","1.021","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205475","39.052","0.006","9.8693","0.0013","26.197","0.004","90","","120.12","0.005","90","","8733","2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C45 H46 Ag3 N6 O11 -","- C45 H46 Ag3 N6 O11 -","- C360 H368 Ag24 N48 O88 -","8","1","","Yang, Guo-Ping; Zhou, Jun-Hong; Wang, Yao-Yu; Liu, Ping; Shi, Chun-Cheng; Fu, Ai-Yun; Shi, Qi-Zhen","An unusual 1D ladder-like silver(i) coordination polymer involving novel 1D →3D five-folded interpenetrated and [3 + 2] catenaned features generated by Ag⋯O interactions","CrystEngComm","2011","13","1","33","","10.1039/c0ce00601g","","","0.71073","MoKα","","0.1255","0.0678","","","0.1953","0.2236","","","","","","1.008","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205476","5.9593","0.0012","13.522","0.003","13.599","0.003","114.71","0.03","93.33","0.03","93.88","0.03","988.7","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H16 Ba N3 O7 S -","- C18 H16 Ba N3 O7 S -","- C36 H32 Ba2 N6 O14 S2 -","2","1","","Xiao, Dongrong; Chen, Haiyan; Zhang, Guangju; Sun, Dianzhen; He, Jianghong; Yuan, Ruo; Wang, Enbo","An unprecedented (5,12)-connected 3D self-penetrating metal‒organic framework based on dinuclear barium clusters as building blocks","CrystEngComm","2011","13","2","433","","10.1039/c0ce00622j","","","0.71073","MoKα","","0.0199","0.019","","","0.0574","0.0582","","","","","","1.041","","","","has coordinates,has disorder","180385","2020-10-21","18:00:00",""
"7205477","6.9659","0.0007","29.074","0.003","7.857","0.0008","90","","105.268","0.001","90","","1535.1","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H28 Cd2 N4 O12 -","- C32 H28 Cd2 N4 O12 -","- C64 H56 Cd4 N8 O24 -","2","0.5","","Wang, Curtis Y.; Wilseck, Zachary M.; Supkowski, Ronald M.; LaDuca, Robert L.","Metal and ligand binding mode dependent topologies in phthalate coordination polymers with bis(4-pyridylformyl)piperazine co-ligands","CrystEngComm","2011","13","5","1391","","10.1039/c0ce00632g","","","0.71073","MoKα","","0.038","0.0367","","","0.1003","0.1015","","","","","","1.111","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205478","10.214","0.0009","10.5245","0.0009","11.245","0.001","90","","97.857","0.001","90","","1197.46","0.18","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H26 Co N4 O9 -","- C24 H26 Co N4 O9 -","- C48 H52 Co2 N8 O18 -","2","1","","Wang, Curtis Y.; Wilseck, Zachary M.; Supkowski, Ronald M.; LaDuca, Robert L.","Metal and ligand binding mode dependent topologies in phthalate coordination polymers with bis(4-pyridylformyl)piperazine co-ligands","CrystEngComm","2011","13","5","1391","","10.1039/c0ce00632g","","","0.71073","MoKα","","0.0399","0.0394","","","0.1061","0.1066","","","","","","1.178","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205479","7.2812","0.001","10.7032","0.0014","10.8333","0.0014","95.672","0.002","103.322","0.002","109.235","0.002","761.52","0.18","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 Cu2 N4 O12 -","- C32 H28 Cu2 N4 O12 -","- C32 H28 Cu2 N4 O12 -","1","0.5","","Wang, Curtis Y.; Wilseck, Zachary M.; Supkowski, Ronald M.; LaDuca, Robert L.","Metal and ligand binding mode dependent topologies in phthalate coordination polymers with bis(4-pyridylformyl)piperazine co-ligands","CrystEngComm","2011","13","5","1391","","10.1039/c0ce00632g","","","0.71073","MoKα","","0.0418","0.0396","","","0.1076","0.1094","","","","","","1.149","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205480","9.5667","0.0001","16.4081","0.0002","16.4469","0.0002","90","","90","","90","","2581.69","0.05","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 Cd2 N4 O12 -","- C20 H28 Cd2 N4 O12 -","- C80 H112 Cd8 N16 O48 -","4","1","","Yang, Xiu-Li; Xie, Ming-Hua; Zou, Chao; Sun, Fei-Fei; Wu, Chuan-De","A series of metal‒organic coordination polymers containing multiple chiral centers","CrystEngComm","2011","13","5","1570","","10.1039/c0ce00633e","","","1.54178","CuKα","","0.0276","0.0241","","","0.0554","0.0567","","","","","","1.021","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205481","9.3702","0.0006","9.3702","0.0006","14.7404","0.0013","90","","90","","90","","1294.22","0.16","296","2","296","2","","","","","","","","5","P 43","P 4cw","78","","","","- C10 H16 Co N2 O7 -","- C10 H16 Co N2 O7 -","- C40 H64 Co4 N8 O28 -","4","1","","Yang, Xiu-Li; Xie, Ming-Hua; Zou, Chao; Sun, Fei-Fei; Wu, Chuan-De","A series of metal‒organic coordination polymers containing multiple chiral centers","CrystEngComm","2011","13","5","1570","","10.1039/c0ce00633e","","","0.71073","MoKα","","0.0228","0.0217","","","0.0552","0.0554","","","","","","1.107","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205482","6.0278","0.0003","12.0022","0.0006","9.2687","0.0004","90","","97.549","0.004","90","","664.75","0.06","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H14 N2 Ni O6 -","- C10 H14 N2 Ni O6 -","- C20 H28 N4 Ni2 O12 -","2","1","","Yang, Xiu-Li; Xie, Ming-Hua; Zou, Chao; Sun, Fei-Fei; Wu, Chuan-De","A series of metal‒organic coordination polymers containing multiple chiral centers","CrystEngComm","2011","13","5","1570","","10.1039/c0ce00633e","","","1.54184","CuKα","","0.0428","0.0388","","","0.1009","0.1039","","","","","","1.104","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205483","9.3479","0.0002","9.3479","0.0002","14.7797","0.0003","90","","90","","90","","1291.5","0.05","296","2","296","2","","","","","","","","5","P 43","P 4cw","78","","","","- C10 H16 N2 O7 Zn -","- C10 H16 N2 O7 Zn -","- C40 H64 N8 O28 Zn4 -","4","1","","Yang, Xiu-Li; Xie, Ming-Hua; Zou, Chao; Sun, Fei-Fei; Wu, Chuan-De","A series of metal‒organic coordination polymers containing multiple chiral centers","CrystEngComm","2011","13","5","1570","","10.1039/c0ce00633e","","","0.71073","MoKα","","0.0348","0.0278","","","0.0441","0.0454","","","","","","0.789","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205484","8.4907","0.0006","9.3897","0.0008","16.0819","0.001","90","","90","","90","","1282.13","0.16","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 Cd N2 O5 -","- C11 H14 Cd N2 O5 -","- C44 H56 Cd4 N8 O20 -","4","1","","Yang, Xiu-Li; Xie, Ming-Hua; Zou, Chao; Sun, Fei-Fei; Wu, Chuan-De","A series of metal‒organic coordination polymers containing multiple chiral centers","CrystEngComm","2011","13","5","1570","","10.1039/c0ce00633e","","","0.71073","MoKα","","0.0427","0.0303","","","0.0526","0.0545","","","","","","0.951","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205485","6.188","0.0001","7.2073","0.0002","8.7257","0.0003","102.042","0.001","104.124","0.001","113.839","0.001","323.824","0.016","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C11 H16 N2 O6 Zn -","- C11 H16 N2 O6 Zn -","- C11 H16 N2 O6 Zn -","1","1","","Yang, Xiu-Li; Xie, Ming-Hua; Zou, Chao; Sun, Fei-Fei; Wu, Chuan-De","A series of metal‒organic coordination polymers containing multiple chiral centers","CrystEngComm","2011","13","5","1570","","10.1039/c0ce00633e","","","0.71073","MoKα","","0.017","0.0169","","","0.0431","0.0431","","","","","","1.07","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205486","11.3635","0.0014","14.1791","0.0017","15.1146","0.0018","90","","111.006","0.002","90","","2273.5","0.5","93","2","93","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 O2 -","- C32 H24 O2 -","- C128 H96 O8 -","4","1","","Fujii, Kotaro; Aruga, Kumiko; Sekine, Akiko; Uekusa, Hidehiro; Sohno, Katsuya; Tanaka, Koichi","In situ observation and mechanistic elucidation of metastable colored species in crystalline state photochromism of trans-biindenylidenedione","CrystEngComm","2011","13","3","731","","10.1039/c0ce00642d","","x-ray","0.71073","MoKα","","0.0575","0.0432","","","0.1118","0.1197","","","","","","1.04","","","","has coordinates,has disorder","180385","2020-10-21","18:00:00",""
"7205487","11.3843","0.0015","14.2937","0.0019","15.125","0.002","90","","111.656","0.003","90","","2287.5","0.5","93","2","93","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 O2 -","- C32.007 H24.007 O2 -","- C128.028 H96.028 O8 -","4","1","","Fujii, Kotaro; Aruga, Kumiko; Sekine, Akiko; Uekusa, Hidehiro; Sohno, Katsuya; Tanaka, Koichi","In situ observation and mechanistic elucidation of metastable colored species in crystalline state photochromism of trans-biindenylidenedione","CrystEngComm","2011","13","3","731","","10.1039/c0ce00642d","","x-ray","0.71073","MoKα","","0.0712","0.0471","","","0.1191","0.1308","","","","","","1.019","","","","has coordinates,has disorder","180385","2020-10-21","18:00:00",""
"7205488","11.3564","0.0014","14.1618","0.0017","15.1141","0.0018","90","","111.017","0.002","90","","2269","0.5","93","2","93","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 O2 -","- C32 H24 O2 -","- C128 H96 O8 -","4","1","","Fujii, Kotaro; Aruga, Kumiko; Sekine, Akiko; Uekusa, Hidehiro; Sohno, Katsuya; Tanaka, Koichi","In situ observation and mechanistic elucidation of metastable colored species in crystalline state photochromism of trans-biindenylidenedione","CrystEngComm","2011","13","3","731","","10.1039/c0ce00642d","","x-ray","0.71073","MoKα","","0.058","0.0439","","","0.1108","0.1189","","","","","","1.021","","","","has coordinates,has disorder","180385","2020-10-21","18:00:00",""
"7205489","10.0998","0.0007","12.1043","0.0008","11.8472","0.0008","90","","98.582","0.001","90","","1432.12","0.17","150","2","150","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C8 H4 Bi2 O6 -","- C8 H4 Bi2 O6 -","- C48 H24 Bi12 O36 -","6","1.5","","Wibowo, Arief C.; Smith, Mark D.; zur Loye, Hans-Conrad","New 3D bismuth-oxo coordination polymers containing terephthalate-based ligands: observation of Bi2O2-layer and Bi4O3-chain motifs","CrystEngComm","2011","13","2","426","","10.1039/c0ce00650e","","","0.71073","MoKα","","0.0328","0.0256","","","0.0585","0.0619","","","","","","1.021","","","","has coordinates,has disorder","180385","2020-10-21","18:00:00",""
"7205490","11.6396","0.0017","11.7565","0.0017","13.0034","0.0019","101.04","0.003","93.708","0.003","114.402","0.002","1569.7","0.4","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H12.36 Bi4 N3 O22.68 -","- C24 H9 Bi4 N3 O22.68 -","- C48 H18 Bi8 N6 O45.36 -","2","1","","Wibowo, Arief C.; Smith, Mark D.; zur Loye, Hans-Conrad","New 3D bismuth-oxo coordination polymers containing terephthalate-based ligands: observation of Bi2O2-layer and Bi4O3-chain motifs","CrystEngComm","2011","13","2","426","","10.1039/c0ce00650e","","","0.71073","MoKα","","0.0539","0.0401","","","0.087","0.0929","","","","","","1.025","","","","has coordinates,has disorder","180385","2020-10-21","18:00:00",""
"7205491","14.5579","0.0014","14.5579","0.0014","16.2961","0.0016","90","","90","","90","","3453.7","0.6","298","2","298","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- Br Cu H2 I2 O2 Pb2 -","- Br Cu H2 I2 O2 Pb2 -","- Br16 Cu16 H32 I32 O32 Pb32 -","16","0.5","","Hu, Fei; Zhai, Quan-Guo; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Ionothermal synthesis of a new (4,12)-connected heterometallic iodoplumbate with [Pb4(OH)4] cubane as joint points of the helices","CrystEngComm","2011","13","2","414","","10.1039/c0ce00651c","","","0.71073","MoKα","","0.0907","0.0727","","","0.1995","0.2178","","","","","","1.067","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205492","18.022","0.004","16.787","0.003","22.439","0.005","90","","104.818","0.002","90","","6563","2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","PgC4GP","","","- C65 H102 N2 O20 -","- C65 H102 N2 O20 -","- C260 H408 N8 O80 -","4","1","","Fowler, Drew A.; Tian, Jian; Barnes, Charles; Teat, Simon J.; Atwood, Jerry L.","Cocrystallization of C-butyl pyrogallol[4]arene and C-propan-3-ol pyrogallol[4]arene with gabapentin","CrystEngComm","2011","13","5","1446","","10.1039/c0ce00661k","","","0.71073","MoKα","","0.0762","0.0524","","","0.143","0.1619","","","","","","1.032","","","","has coordinates,has disorder","180385","2020-10-21","18:00:00",""
"7205493","12.137","0.005","16.978","0.007","31.818","0.013","92.253","0.006","90.065","0.006","93.959","0.006","6536","5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C129 H200 N4 O37.5 -","- C129 H200 N4 O37.5 -","- C258 H400 N8 O75 -","2","1","","Fowler, Drew A.; Tian, Jian; Barnes, Charles; Teat, Simon J.; Atwood, Jerry L.","Cocrystallization of C-butyl pyrogallol[4]arene and C-propan-3-ol pyrogallol[4]arene with gabapentin","CrystEngComm","2011","13","5","1446","","10.1039/c0ce00661k","","","0.71073","MoKα","","0.1476","0.0914","","","0.2484","0.2927","","","","","","1.054","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7205494","29.602","0.008","15.909","0.004","25.228","0.007","90","","97.868","0.004","90","","11769","5","100","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C49 H64 N O27.55 -","- C49 H64 N O27.55 -","- C392 H512 N8 O220.4 -","8","1","","Fowler, Drew A.; Tian, Jian; Barnes, Charles; Teat, Simon J.; Atwood, Jerry L.","Cocrystallization of C-butyl pyrogallol[4]arene and C-propan-3-ol pyrogallol[4]arene with gabapentin","CrystEngComm","2011","13","5","1446","","10.1039/c0ce00661k","","","0.7749","","","0.1645","0.1178","","","0.3252","0.3655","","","","","","1.408","","","","has coordinates,has disorder","180385","2020-10-21","18:00:00",""
"7205495","10.2834","0.0002","13.4971","0.0002","19.7289","0.0002","87.661","0.001","79.161","0.001","89.244","0.001","2687.16","0.07","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H32 B F24 Mo N3 O3 -","- C54 H32 B F24 Mo N3 O3 -","- C108 H64 B2 F48 Mo2 N6 O6 -","2","1","","Morales, Dolores; Pérez, Julio; Martínez-García, Héctor; Puerto, Marcos; del Río, Ignacio","Hydrogen-bonded adducts between neutral molecules and [Mo(η3-methallyl)(CO)2(HOC(py)3)]+: snapshots of a deprotonation","CrystEngComm","2011","13","1","60","","10.1039/c0ce00688b","","","0.71073","MoKα","","0.0654","0.0508","","","0.1551","0.1695","","","","","","1.002","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205496","9.0225","0.0001","15.1359","0.0001","17.6892","0.0001","90","","90","","90","","2415.7","0.03","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H27 Mo N3 O4 -","- C26 H27 Mo N3 O4 -","- C104 H108 Mo4 N12 O16 -","4","1","","Morales, Dolores; Pérez, Julio; Martínez-García, Héctor; Puerto, Marcos; del Río, Ignacio","Hydrogen-bonded adducts between neutral molecules and [Mo(η3-methallyl)(CO)2(HOC(py)3)]+: snapshots of a deprotonation","CrystEngComm","2011","13","1","60","","10.1039/c0ce00688b","","","1.5418","CuKα","","0.0353","0.0316","","","0.0805","0.0903","","","","","","1.035","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205497","12.4276","0.0002","18.3539","0.0003","25.8077","0.0005","90","","94.526","0.001","90","","5868.25","0.18","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C58 H40 B F24 Mo N3 O4 -","- C58 H40 B F24 Mo N3 O4 -","- C232 H160 B4 F96 Mo4 N12 O16 -","4","1","","Morales, Dolores; Pérez, Julio; Martínez-García, Héctor; Puerto, Marcos; del Río, Ignacio","Hydrogen-bonded adducts between neutral molecules and [Mo(η3-methallyl)(CO)2(HOC(py)3)]+: snapshots of a deprotonation","CrystEngComm","2011","13","1","60","","10.1039/c0ce00688b","","","0.71073","MoKα","","0.0886","0.0644","","","0.1916","0.2204","","","","","","1.056","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205498","12.7311","0.0003","14.0298","0.0004","35.9014","0.0008","90","","90","","90","","6412.5","0.3","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C63 H48 B F24 Mo N5 O3 -","- C63 H48 B F24 Mo N5 O3 -","- C252 H192 B4 F96 Mo4 N20 O12 -","4","1","","Morales, Dolores; Pérez, Julio; Martínez-García, Héctor; Puerto, Marcos; del Río, Ignacio","Hydrogen-bonded adducts between neutral molecules and [Mo(η3-methallyl)(CO)2(HOC(py)3)]+: snapshots of a deprotonation","CrystEngComm","2011","13","1","60","","10.1039/c0ce00688b","","","0.71073","MoKα","","0.097","0.0567","","","0.1362","0.1792","","","","","","1.035","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205499","19.3433","0.0004","21.3842","0.0004","16.9253","0.0003","90","","97.644","0.001","90","","6938.8","0.2","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C62 H48 B Cl4 F24 Mo N5 O4 -","- C62 H48 B Cl4 F24 Mo N5 O4 -","- C248 H192 B4 Cl16 F96 Mo4 N20 O16 -","4","1","","Morales, Dolores; Pérez, Julio; Martínez-García, Héctor; Puerto, Marcos; del Río, Ignacio","Hydrogen-bonded adducts between neutral molecules and [Mo(η3-methallyl)(CO)2(HOC(py)3)]+: snapshots of a deprotonation","CrystEngComm","2011","13","1","60","","10.1039/c0ce00688b","","","0.71073","MoKα","","0.0944","0.0731","","","0.2106","0.2256","","","","","","1.001","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205500","12.8482","0.0003","12.969","0.0003","18.5662","0.0005","98.097","0.002","108.331","0.002","90.332","0.002","2903.26","0.13","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C59 H37 B F24 Mo N4 O3 -","- C59 H37 B F24 Mo N4 O3 -","- C118 H74 B2 F48 Mo2 N8 O6 -","2","1","","Morales, Dolores; Pérez, Julio; Martínez-García, Héctor; Puerto, Marcos; del Río, Ignacio","Hydrogen-bonded adducts between neutral molecules and [Mo(η3-methallyl)(CO)2(HOC(py)3)]+: snapshots of a deprotonation","CrystEngComm","2011","13","1","60","","10.1039/c0ce00688b","","","1.5418","CuKα","","0.0621","0.0564","","","0.1556","0.1606","","","","","","1","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205501","12.48","0.005","13.029","0.005","21.067","0.005","83.95","0.005","73.541","0.005","86.462","0.005","3265","2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H47 B F24 Mo N4 O4 -","- C60 H47 B F24 Mo N4 O4 -","- C120 H94 B2 F48 Mo2 N8 O8 -","2","1","","Morales, Dolores; Pérez, Julio; Martínez-García, Héctor; Puerto, Marcos; del Río, Ignacio","Hydrogen-bonded adducts between neutral molecules and [Mo(η3-methallyl)(CO)2(HOC(py)3)]+: snapshots of a deprotonation","CrystEngComm","2011","13","1","60","","10.1039/c0ce00688b","","","1.5418","CuKα","","0.0942","0.0772","","","0.2232","0.2397","","","","","","1.085","","","","has coordinates,has disorder","180386","2020-10-21","18:00:00",""
"7205502","12.4659","0.001","13.596","0.001","17.4953","0.0013","85.431","0.006","83.001","0.006","81.125","0.006","2902.3","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H35 B F24 Mo N2 O4 -","- C55 H35 B F24 Mo N2 O4 -","- C110 H70 B2 F48 Mo2 N4 O8 -","2","1","","Morales, Dolores; Pérez, Julio; Martínez-García, Héctor; Puerto, Marcos; del Río, Ignacio","Hydrogen-bonded adducts between neutral molecules and [Mo(η3-methallyl)(CO)2(HOC(py)3)]+: snapshots of a deprotonation","CrystEngComm","2011","13","1","60","","10.1039/c0ce00688b","","","1.5418","CuKα","","0.1194","0.0969","","","0.2376","0.2406","","","","","","1.009","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205503","3.9135","0.0014","7.475","0.003","22.656","0.008","90","","95.447","0.007","90","","659.8","0.4","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 N4 S2 -","- C14 H10 N4 S2 -","- C28 H20 N8 S4 -","2","0.5","","Wang, Li; Tao, Tao; Fu, Shu-Jun; Wang, Cheng; Huang, Wei; You, Xiao-Zeng","Linear extension of bithiophene compounds by the combination of C‒N covalent bond cross-coupling and N‒Ag coordinative bond formation","CrystEngComm","2011","13","3","747","","10.1039/c0ce00689k","","","0.71073","MoKα","","0.0849","0.0798","","","0.1895","0.1913","","","","","","1.212","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205504","3.8169","0.0014","7.901","0.003","26.283","0.009","90","","96.527","0.006","90","","787.5","0.5","291","2","291","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C14 H10 Ag N5 O3 S2 -","- C14 H10 Ag N5 O3 S2 -","- C28 H20 Ag2 N10 O6 S4 -","2","0.5","","Wang, Li; Tao, Tao; Fu, Shu-Jun; Wang, Cheng; Huang, Wei; You, Xiao-Zeng","Linear extension of bithiophene compounds by the combination of C‒N covalent bond cross-coupling and N‒Ag coordinative bond formation","CrystEngComm","2011","13","3","747","","10.1039/c0ce00689k","","","0.71073","MoKα","","0.0729","0.0408","","","0.1006","0.1384","","","","","","1.018","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205505","13.731","0.004","8.046","0.003","15.458","0.005","90","","101.94","0.004","90","","1670.8","1","291","2","291","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 Ag Cl N4 O4 S2 -","- C14 H10 Ag Cl N4 O4 S2 -","- C56 H40 Ag4 Cl4 N16 O16 S8 -","4","1","","Wang, Li; Tao, Tao; Fu, Shu-Jun; Wang, Cheng; Huang, Wei; You, Xiao-Zeng","Linear extension of bithiophene compounds by the combination of C‒N covalent bond cross-coupling and N‒Ag coordinative bond formation","CrystEngComm","2011","13","3","747","","10.1039/c0ce00689k","","","0.71073","MoKα","","0.0751","0.0568","","","0.16","0.1698","","","","","","1.007","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205506","8.2588","0.0012","9.6887","0.0014","13.0447","0.0019","71.193","0.002","81.694","0.002","72.739","0.002","942.2","0.2","291","2","291","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H10 Ag F3 N4 O2 S2 -","- C16 H10 Ag F3 N4 O2 S2 -","- C32 H20 Ag2 F6 N8 O4 S4 -","2","1","","Wang, Li; Tao, Tao; Fu, Shu-Jun; Wang, Cheng; Huang, Wei; You, Xiao-Zeng","Linear extension of bithiophene compounds by the combination of C‒N covalent bond cross-coupling and N‒Ag coordinative bond formation","CrystEngComm","2011","13","3","747","","10.1039/c0ce00689k","","","0.71073","MoKα","","0.0592","0.0479","","","0.1421","0.1489","","","","","","1.089","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205507","8.546","0.004","11.661","0.006","10.097","0.005","90","","108.355","0.008","90","","955","0.8","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 N4 -","- C22 H24 N4 -","- C44 H48 N8 -","2","0.5","","Fenton, Hazel; Tidmarsh, Ian S.; Ward, Michael D.","Luminescent silver(i) coordination networks based on bis-(3,5-dimethylpyrazolyl)naphthalene ligands","CrystEngComm","2011","13","5","1432","","10.1039/c0ce00690d","","","0.71073","MoKα","","0.0577","0.0459","","","0.1195","0.1264","","","","","","1.079","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205508","14.3365","0.0018","5.0427","0.0007","12.6153","0.0015","90","","100.28","0.009","90","","897.4","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 N4 -","- C22 H24 N4 -","- C44 H48 N8 -","2","0.5","","Fenton, Hazel; Tidmarsh, Ian S.; Ward, Michael D.","Luminescent silver(i) coordination networks based on bis-(3,5-dimethylpyrazolyl)naphthalene ligands","CrystEngComm","2011","13","5","1432","","10.1039/c0ce00690d","","","0.71073","MoKα","","0.0939","0.0616","","","0.1417","0.1566","","","","","","1.147","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205509","10.3591","0.0004","12.9102","0.0004","27.5492","0.0008","90","","90","","90","","3684.4","0.2","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H24 N4 -","- C22 H24 N4 -","- C176 H192 N32 -","8","1","","Fenton, Hazel; Tidmarsh, Ian S.; Ward, Michael D.","Luminescent silver(i) coordination networks based on bis-(3,5-dimethylpyrazolyl)naphthalene ligands","CrystEngComm","2011","13","5","1432","","10.1039/c0ce00690d","","","0.71073","MoKα","","0.0778","0.0434","","","0.0978","0.115","","","","","","1.002","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205510","23.0936","0.0009","7.945","0.0003","15.8799","0.0007","90","","132.487","0.003","90","","2148.59","0.18","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H24 Ag N5 O3 -","- C22 H24 Ag N5 O3 -","- C88 H96 Ag4 N20 O12 -","4","0.5","","Fenton, Hazel; Tidmarsh, Ian S.; Ward, Michael D.","Luminescent silver(i) coordination networks based on bis-(3,5-dimethylpyrazolyl)naphthalene ligands","CrystEngComm","2011","13","5","1432","","10.1039/c0ce00690d","","","0.71073","MoKα","","0.0251","0.0248","","","0.0652","0.0655","","","","","","1.106","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205511","8.8647","0.0012","14.487","0.002","14.955","0.002","92.109","0.009","104.197","0.008","99.937","0.008","1827.7","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C74 H81 Ag2 F6 N15 O6 S2 -","- C74 H78 Ag2 F6 N15 O6 S2 -","- C74 H78 Ag2 F6 N15 O6 S2 -","1","0.5","","Fenton, Hazel; Tidmarsh, Ian S.; Ward, Michael D.","Luminescent silver(i) coordination networks based on bis-(3,5-dimethylpyrazolyl)naphthalene ligands","CrystEngComm","2011","13","5","1432","","10.1039/c0ce00690d","","","0.71073","MoKα","","0.0695","0.0426","","","0.0862","0.0958","","","","","","1.015","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205512","16.899","0.01","11.673","0.006","18.918","0.011","90","","98.356","0.012","90","","3692","4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C78 H90 Ag2 N20 O6 -","- C78 H90 Ag2 N20 O6 -","- C156 H180 Ag4 N40 O12 -","2","0.5","","Fenton, Hazel; Tidmarsh, Ian S.; Ward, Michael D.","Luminescent silver(i) coordination networks based on bis-(3,5-dimethylpyrazolyl)naphthalene ligands","CrystEngComm","2011","13","5","1432","","10.1039/c0ce00690d","","","0.71073","MoKα","","0.0645","0.0337","","","0.0726","0.0832","","","","","","1.02","","","","has coordinates,has disorder","180386","2020-10-21","18:00:00",""
"7205513","17.3463","0.0008","11.8598","0.0005","19.225","0.0009","90","","99.584","0.003","90","","3899.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C78 H90 Ag2 B2 F8 N18 -","- C78 H90 Ag2 B2 F8 N18 -","- C156 H180 Ag4 B4 F16 N36 -","2","0.5","","Fenton, Hazel; Tidmarsh, Ian S.; Ward, Michael D.","Luminescent silver(i) coordination networks based on bis-(3,5-dimethylpyrazolyl)naphthalene ligands","CrystEngComm","2011","13","5","1432","","10.1039/c0ce00690d","","","0.71073","MoKα","","0.0644","0.0387","","","0.08","0.0891","","","","","","1.01","","","","has coordinates,has disorder","180386","2020-10-21","18:00:00",""
"7205514","20.379","0.003","20.379","","16.588","0.002","90","","90","","90","","6889.1","1.3","100","2","100","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C70 H78 Ag2 B2 F8 N14 -","- C70 H78 Ag2 B2 F8 N14 -","- C280 H312 Ag8 B8 F32 N56 -","4","0.5","","Fenton, Hazel; Tidmarsh, Ian S.; Ward, Michael D.","Luminescent silver(i) coordination networks based on bis-(3,5-dimethylpyrazolyl)naphthalene ligands","CrystEngComm","2011","13","5","1432","","10.1039/c0ce00690d","","","0.71073","MoKα","","0.059","0.0418","","","0.1046","0.1114","","","","","","1.065","","","","has coordinates,has disorder","180386","2020-10-21","18:00:00",""
"7205515","16.3239","0.0018","19.566","0.002","20.852","0.002","90","","90","","90","","6660","1.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C68 H75 Ag2 N15 O6 -","- C68 H75 Ag2 N15 O6 -","- C272 H300 Ag8 N60 O24 -","4","1","","Fenton, Hazel; Tidmarsh, Ian S.; Ward, Michael D.","Luminescent silver(i) coordination networks based on bis-(3,5-dimethylpyrazolyl)naphthalene ligands","CrystEngComm","2011","13","5","1432","","10.1039/c0ce00690d","","","0.71073","MoKα","","0.0466","0.0423","","","0.1178","0.1218","","","","","","1.068","","","","has coordinates,has disorder","180386","2020-10-21","18:00:00",""
"7205516","19.8931","0.0006","19.8931","0.0006","19.8931","0.0006","90","","90","","90","","7872.4","0.4","100","2","100","2","","","","","","","","6","P 41 3 2","P 4bd 2ab 3","213","","","","- C66 H72 Ag2 F12 N12 P2 -","- C66 H72 Ag2 F12.004 N12 P2 -","- C264 H288 Ag8 F48.016 N48 P8 -","4","0.166667","","Fenton, Hazel; Tidmarsh, Ian S.; Ward, Michael D.","Luminescent silver(i) coordination networks based on bis-(3,5-dimethylpyrazolyl)naphthalene ligands","CrystEngComm","2011","13","5","1432","","10.1039/c0ce00690d","","","0.71073","MoKα","","0.109","0.0776","","","0.2651","0.3221","","","","","","1.111","","","","has coordinates,has disorder","180386","2020-10-21","18:00:00",""
"7205517","10.0339","0.0008","12.3064","0.0009","17.8158","0.0014","90","","103.88","0.003","90","","2135.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 Ag N5 O3 -","- C22 H24 Ag N5 O3 -","- C88 H96 Ag4 N20 O12 -","4","1","","Fenton, Hazel; Tidmarsh, Ian S.; Ward, Michael D.","Luminescent silver(i) coordination networks based on bis-(3,5-dimethylpyrazolyl)naphthalene ligands","CrystEngComm","2011","13","5","1432","","10.1039/c0ce00690d","","","0.71073","MoKα","","0.0285","0.0238","","","0.0582","0.061","","","","","","1.035","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205518","15.7432","0.0003","22.136","0.0004","15.9373","0.0003","90","","90.294","0.001","90","","5553.94","0.18","133","2","133","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C62 H82 O9 -","- C62 H82 O9 -","- C248 H328 O36 -","4","2","","Gruber, Tobias; Fischer, Conrad; Seichter, Wilhelm; Bombicz, Petra; Weber, Edwin","Upper rim site lipophilic calix[4]arenes as receptors for natural terpenes and functionally related solvent molecules: combined crystal structure and QMB sensor study","CrystEngComm","2011","13","5","1422","","10.1039/c0ce00696c","","","0.71073","MoKα","","0.0672","0.0551","","","0.1531","0.1723","","","","","","1.051","","","","has coordinates,has disorder","180386","2020-10-21","18:00:00",""
"7205519","15.6344","0.0006","22.1572","0.0007","15.8763","0.0005","90","","91.049","0.002","90","","5498.9","0.3","153","2","153","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C62 H84 O9 -","- C62 H84 O9 -","- C248 H336 O36 -","4","2","","Gruber, Tobias; Fischer, Conrad; Seichter, Wilhelm; Bombicz, Petra; Weber, Edwin","Upper rim site lipophilic calix[4]arenes as receptors for natural terpenes and functionally related solvent molecules: combined crystal structure and QMB sensor study","CrystEngComm","2011","13","5","1422","","10.1039/c0ce00696c","","","0.71073","MoKα","","0.0861","0.0524","","","0.15","0.1668","","","","","","1.015","","","","has coordinates,has disorder","180386","2020-10-21","18:00:00",""
"7205520","15.6509","0.0004","25.0523","0.0006","15.9443","0.0004","90","","90.258","0.001","90","","6251.6","0.3","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C70 H98 O9 -","- C70 H98 O9 -","- C280 H392 O36 -","4","2","","Gruber, Tobias; Fischer, Conrad; Seichter, Wilhelm; Bombicz, Petra; Weber, Edwin","Upper rim site lipophilic calix[4]arenes as receptors for natural terpenes and functionally related solvent molecules: combined crystal structure and QMB sensor study","CrystEngComm","2011","13","5","1422","","10.1039/c0ce00696c","","","0.71073","MoKα","","0.0758","0.0433","","","0.1126","0.1485","","","","","","1.04","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205521","15.6292","0.0003","23.7075","0.0005","16.6136","0.0004","90","","92.02","0.001","90","","6152","0.2","103","2","103","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C70 H94 O9 -","- C70 H94 O9 -","- C280 H376 O36 -","4","2","","Gruber, Tobias; Fischer, Conrad; Seichter, Wilhelm; Bombicz, Petra; Weber, Edwin","Upper rim site lipophilic calix[4]arenes as receptors for natural terpenes and functionally related solvent molecules: combined crystal structure and QMB sensor study","CrystEngComm","2011","13","5","1422","","10.1039/c0ce00696c","","","0.71073","MoKα","","0.1199","0.0862","","","0.2346","0.2824","","","","","","1.043","","","","has coordinates,has disorder","180386","2020-10-21","18:00:00",""
"7205522","15.9123","0.0011","24.6729","0.0016","16.1465","0.001","90","","90.295","0.004","90","","6339.1","0.7","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C74 H94 O9 -","- C74 H94 O9 -","- C296 H376 O36 -","4","2","","Gruber, Tobias; Fischer, Conrad; Seichter, Wilhelm; Bombicz, Petra; Weber, Edwin","Upper rim site lipophilic calix[4]arenes as receptors for natural terpenes and functionally related solvent molecules: combined crystal structure and QMB sensor study","CrystEngComm","2011","13","5","1422","","10.1039/c0ce00696c","","","0.71073","MoKα","","0.1068","0.0713","","","0.2116","0.2327","","","","","","1.091","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205523","15.6436","0.0004","23.5263","0.0005","15.9163","0.0003","90","","91.356","0.001","90","","5856.1","0.2","90","2","90","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C68 H90 O9 -","- C68 H90 O9 -","- C272 H360 O36 -","4","1","","Gruber, Tobias; Fischer, Conrad; Seichter, Wilhelm; Bombicz, Petra; Weber, Edwin","Upper rim site lipophilic calix[4]arenes as receptors for natural terpenes and functionally related solvent molecules: combined crystal structure and QMB sensor study","CrystEngComm","2011","13","5","1422","","10.1039/c0ce00696c","","","0.71073","MoKα","","0.0777","0.0527","","","0.1402","0.1704","","","","","","1.065","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205524","10.298","0.002","6.4096","0.0013","24.68","0.007","90","","108.08","0.03","90","","1548.6","0.7","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1:1 Cocrystal of nitrofurantoin and 4-hydroxybenzoic acid","1:1 Cocrystal of nitrofurantoin and 4-hydroxybenzoic acid","","- C15 H12 N4 O8 -","- C15 H12 N4 O8 -","- C60 H48 N16 O32 -","4","1","","Vangala, Venu R.; Chow, Pui Shan; Tan, Reginald B. H.","Characterization, physicochemical and photo-stability of a co-crystal involving an antibiotic drug, nitrofurantoin, and 4-hydroxybenzoic acid","CrystEngComm","2011","13","3","759","","10.1039/c0ce00772b","","","0.71073","MoKα","","0.0599","0.0552","","","0.1463","0.1546","","","","","","1.134","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205525","14.0455","0.0001","14.0455","0.0001","14.6075","0.0002","90","","90","","90","","2881.71","0.05","273","2","273","2","","","","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","","","","- C12 H14 Cu3 N6 O9 -","- C12 H14 Cu3 N6 O9 -","- C48 H56 Cu12 N24 O36 -","4","0.25","","Ling, Yun; Zhang, Lei; Li, Jing; Du, Miao","A robust porous PtS-type Cu(ii) metal‒organic framework: single-crystal-to-single-crystal transformation with reversible guest intercalation accompanied by colour change","CrystEngComm","2011","13","3","768","","10.1039/c0ce00775g","","","0.71073","MoKα","","0.085","0.0469","","","0.1318","0.1406","","","","","","0.95","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205526","17.7892","0.0003","17.7892","0.0003","15.0473","0.0003","90","","90","","90","","4761.8","0.15","173","2","173","2","","","","","","","","8","P 4/n c c :2","-P 4a 2ac","130","","","","- C46 H46 F6 N4 O3 S2 Si Zn -","- C46 H46 F6 N4 O3 S2 Si Zn -","- C184 H184 F24 N16 O12 S8 Si4 Zn4 -","4","0.25","","Lin, Mei-Jin; Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: control of interpenetration in cuboid 3-D coordination networks","CrystEngComm","2011","13","3","776","","10.1039/c0ce00777c","","","0.71073","MoKα","","0.0776","0.0663","","","0.1993","0.2118","","","","","","1.064","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205527","19.9188","0.0003","19.9188","0.0003","15.2892","0.0006","90","","90","","90","","6066.1","0.3","173","2","173","2","","","","","","","","7","P 4/n c c :2","-P 4a 2ac","130","","","","- C52 H40 Cl16 F6 N4 Si Zn -","- C52 H40 Cl16 F6 N4 Si Zn -","- C208 H160 Cl64 F24 N16 Si4 Zn4 -","4","0.25","","Lin, Mei-Jin; Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: control of interpenetration in cuboid 3-D coordination networks","CrystEngComm","2011","13","3","776","","10.1039/c0ce00777c","","","0.71073","MoKα","","0.0862","0.0537","","","0.137","0.17","","","","","","1.065","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205535","11.809","0.007","24.155","0.013","35.31","0.019","109.785","0.008","95.2","0.008","94.589","0.009","9372","9","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C6 H5 K9.75 O87.5 P2 Sn W19 -","- C6 H5 K9.75 O87.5 P2 Sn W19 -","- C24 H20 K39 O350 P8 Sn4 W76 -","4","2","","Cao, Rui; O'Halloran, Kevin P.; Hillesheim, Daniel A.; Lense, Sheri; Hardcastle, Kenneth I.; Hill, Craig L.","Controlled synthesis of a functionalized polytungstate ligand and a {MaMbMc(PW9)2} sandwich complex","CrystEngComm","2011","13","3","738","","10.1039/c0ce00828a","","","0.71073","MoKα","","0.0636","0.0486","","","0.1193","0.1265","","","","","","1.039","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205536","11.914","0.005","18.028","0.007","24.593","0.013","109.06","0.008","92.994","0.008","108.872","0.005","4650","4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C6 H5 K9 O86 P2 Sn W19 -","- C6 H5 K9 O86 P2 Sn W19 -","- C12 H10 K18 O172 P4 Sn2 W38 -","2","1","","Cao, Rui; O'Halloran, Kevin P.; Hillesheim, Daniel A.; Lense, Sheri; Hardcastle, Kenneth I.; Hill, Craig L.","Controlled synthesis of a functionalized polytungstate ligand and a {MaMbMc(PW9)2} sandwich complex","CrystEngComm","2011","13","3","738","","10.1039/c0ce00828a","","","0.71073","MoKα","","0.0581","0.0428","","","0.1103","0.1194","","","","","","1.034","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205537","32.678","0.004","14.1708","0.0019","39.662","0.005","90","","94.992","0.002","90","","18297","4","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 K6 O82.99 P2 Rb2 Sn2 W19 -","- C12 H10 K6 O82.99 P2 Rb2 Sn2 W19 -","- C96 H80 K48 O663.92 P16 Rb16 Sn16 W152 -","8","1","","Cao, Rui; O'Halloran, Kevin P.; Hillesheim, Daniel A.; Lense, Sheri; Hardcastle, Kenneth I.; Hill, Craig L.","Controlled synthesis of a functionalized polytungstate ligand and a {MaMbMc(PW9)2} sandwich complex","CrystEngComm","2011","13","3","738","","10.1039/c0ce00828a","","","0.71073","MoKα","","0.0747","0.0458","","","0.1331","0.1508","","","","","","1.047","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205538","12.071","0.007","17.845","0.01","24.577","0.013","69.222","0.007","80.827","0.008","70.812","0.008","4669","5","173","2","173","2","","","","","","","","10","P -1","-P 1","2","","","","- C8 H5 Cu K4 N O84 P2 Rb4 Sn W19 -","- C8 H5 Cu K4 N O84 P2 Rb4 Sn W19 -","- C16 H10 Cu2 K8 N2 O168 P4 Rb8 Sn2 W38 -","2","1","","Cao, Rui; O'Halloran, Kevin P.; Hillesheim, Daniel A.; Lense, Sheri; Hardcastle, Kenneth I.; Hill, Craig L.","Controlled synthesis of a functionalized polytungstate ligand and a {MaMbMc(PW9)2} sandwich complex","CrystEngComm","2011","13","3","738","","10.1039/c0ce00828a","","","0.71073","MoKα","","0.0596","0.0432","","","0.1081","0.1155","","","","","","1.034","","","","has coordinates,has disorder","180386","2020-10-21","18:00:00",""
"7205583","12.1042","0.001","12.6256","0.001","15.2007","0.0011","110.722","0.002","111.88","0.002","95.796","0.002","1942.3","0.3","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H57 N3 O6 -","- C42 H57 N3 O6 -","- C84 H114 N6 O12 -","2","1","","Kole, Goutam Kumar; Tan, Geok Kheng; Vittal, Jagadese J.","Crystal engineering studies on the salts of trans-4,4′-stilbenedicarboxylic acid in the context of solid state [2 + 2] cycloaddition reaction","CrystEngComm","2011","13","9","3138","","10.1039/c0ce00224k","","","0.71073","MoKα","","0.1291","0.0793","","","0.1976","0.2255","","","","","","1.034","","","","has coordinates,has disorder","180386","2020-10-21","18:00:00",""
"7205584","10.156","0.002","9.334","0.002","8.385","0.002","90","","94.4","0.005","90","","792.5","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 N2 O4 -","- C18 H20 N2 O4 -","- C36 H40 N4 O8 -","2","0.5","","Kole, Goutam Kumar; Tan, Geok Kheng; Vittal, Jagadese J.","Crystal engineering studies on the salts of trans-4,4′-stilbenedicarboxylic acid in the context of solid state [2 + 2] cycloaddition reaction","CrystEngComm","2011","13","9","3138","","10.1039/c0ce00224k","","","0.71073","MoKα","","0.1244","0.0795","","","0.1516","0.1674","","","","","","1.1","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205585","7.4542","0.0013","9.707","0.0016","13.61","0.002","100.688","0.002","96.117","0.003","90.07","0.003","962","0.3","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H28 N2 O6 -","- C20 H28 N2 O6 -","- C40 H56 N4 O12 -","2","1","","Kole, Goutam Kumar; Tan, Geok Kheng; Vittal, Jagadese J.","Crystal engineering studies on the salts of trans-4,4′-stilbenedicarboxylic acid in the context of solid state [2 + 2] cycloaddition reaction","CrystEngComm","2011","13","9","3138","","10.1039/c0ce00224k","","","0.71073","MoKα","","0.0745","0.0629","","","0.1722","0.179","","","","","","1.097","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205586","8.9392","0.0004","10.5683","0.0005","12.361","0.0006","71.167","0.001","75.904","0.001","67.648","0.001","1012.43","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H24 N2 O4 S2 -","- C20 H24 N2 O4 S2 -","- C40 H48 N4 O8 S4 -","2","1","","Kole, Goutam Kumar; Tan, Geok Kheng; Vittal, Jagadese J.","Crystal engineering studies on the salts of trans-4,4′-stilbenedicarboxylic acid in the context of solid state [2 + 2] cycloaddition reaction","CrystEngComm","2011","13","9","3138","","10.1039/c0ce00224k","","","0.71073","MoKα","","0.0332","0.032","","","0.0866","0.0877","","","","","","1.035","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205587","11.6939","0.0008","10.6964","0.0007","8.8496","0.0006","90","","93.17","0.002","90","","1105.24","0.13","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H15 N3 O4 -","- C9 H15 N3 O4 -","- C36 H60 N12 O16 -","4","1","","Kole, Goutam Kumar; Tan, Geok Kheng; Vittal, Jagadese J.","Crystal engineering studies on the salts of trans-4,4′-stilbenedicarboxylic acid in the context of solid state [2 + 2] cycloaddition reaction","CrystEngComm","2011","13","9","3138","","10.1039/c0ce00224k","","","0.71073","MoKα","","0.052","0.0482","","","0.126","0.1294","","","","","","1.056","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205588","8.5009","0.0006","10.6106","0.0007","13.78","0.0009","90","","101.651","0.001","90","","1217.34","0.14","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H30 N4 O6 -","- C26 H30 N4 O6 -","- C52 H60 N8 O12 -","2","0.5","","Kole, Goutam Kumar; Tan, Geok Kheng; Vittal, Jagadese J.","Crystal engineering studies on the salts of trans-4,4′-stilbenedicarboxylic acid in the context of solid state [2 + 2] cycloaddition reaction","CrystEngComm","2011","13","9","3138","","10.1039/c0ce00224k","","","0.71073","MoKα","","0.061","0.0547","","","0.1652","0.1709","","","","","","1.04","","","","has coordinates,has disorder","180386","2020-10-21","18:00:00",""
"7205589","12.5672","0.0016","8.3029","0.001","8.2837","0.0011","90","","94.708","0.003","90","","861.44","0.19","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N2 O4 -","- C20 H22 N2 O4 -","- C40 H44 N4 O8 -","2","0.5","","Kole, Goutam Kumar; Tan, Geok Kheng; Vittal, Jagadese J.","Crystal engineering studies on the salts of trans-4,4′-stilbenedicarboxylic acid in the context of solid state [2 + 2] cycloaddition reaction","CrystEngComm","2011","13","9","3138","","10.1039/c0ce00224k","","","0.71073","MoKα","","0.0529","0.0491","","","0.1222","0.1244","","","","","","1.13","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205590","6.9358","0.0005","7.3424","0.0004","16.7449","0.0009","90.167","0.007","100.702","0.005","116.683","0.002","745.05","0.08","295","","295","","","","","","","","","4","P -1","-P 1","2","cinnamic acid 3-nitrobenzamide co-crystal","cinnamic acid 3-nitrobenzamide co-crystal","","- C16 H14 N2 O5 -","- C16 H14 N2 O5 -","- C32 H28 N4 O10 -","2","1","","Urbanus, Johan; Roelands, C. P. Mark; Mazurek, Jaroslaw; Verdoes, Dirk; ter Horst, Joop H.","Electrochemically induced co-crystallization for product removal","CrystEngComm","2011","13","8","2817","","10.1039/c0ce00284d","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","3.202","","","","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205591","9.3699","0.0014","32.679","0.005","10.0882","0.0015","90","","93.835","0.004","90","","3082.1","0.8","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","(R,R)-(-)-trans-2,3-bis(hydroxydiphenylmethyl)-1,4- dioxaspiro(4,5)decane NMF solvate","(R,R)-(-)-trans-2,3-bis(hydroxydiphenylmethyl)-1,4-dioxaspiro(4,5)decane NMF solvate","","- C36 H39 N O5 -","- C36 H39 N O5 -","- C144 H156 N4 O20 -","4","2","","Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Selectivity of amides by host‒guest inclusion","CrystEngComm","2011","13","9","3156","","10.1039/c0ce00362j","","","0.71073","MoKα","","0.0603","0.0398","","","0.0785","0.0851","","","","","","1.085","","","","has coordinates,has disorder","180386","2020-10-21","18:00:00",""
"7205592","9.3986","0.001","33.587","0.004","10.0932","0.001","90","","94.981","0.002","90","","3174.1","0.6","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(R,R)-(-)-trans-2,3-bis(hydroxydiphenylmethyl)-1,4-dioxaspiro(4,5)decane NMA solvate","","- C37 H41 N O5 -","- C37 H41 N O5 -","- C148 H164 N4 O20 -","4","2","","Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Selectivity of amides by host‒guest inclusion","CrystEngComm","2011","13","9","3156","","10.1039/c0ce00362j","","","0.71073","MoKα","","0.0813","0.0469","","","0.0924","0.104","","","","","","1.133","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205593","9.65","0.0012","10.6523","0.0012","29.701","0.004","90","","90","","90","","3053.1","0.7","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R,R)-(-)-trans-2,3-bis(hydroxydiphenylmethyl)-1,4-dioxaspiro(4,5)decane DMF solvate","","- C37 H41 N O5 -","- C37 H41 N O5 -","- C148 H164 N4 O20 -","4","1","","Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Selectivity of amides by host‒guest inclusion","CrystEngComm","2011","13","9","3156","","10.1039/c0ce00362j","","","0.71073","MoKα","","0.0398","0.032","","","0.0729","0.0767","","","","","","1.097","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205594","9.4536","0.0019","9.946","0.002","17.296","0.004","98.88","0.03","98.57","0.03","91.31","0.03","1587.1","0.6","173","2","173","2","","","","","","","","4","P 1","P 1","1","","(R,R)-(-)-trans-2,3-bis(hydroxydiphenylmethyl)-1,4-dioxaspiro(4,5)decane DMA solvate","","- C38 H43 N O5 -","- C38 H43 N O5 -","- C76 H86 N2 O10 -","2","2","","Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Selectivity of amides by host‒guest inclusion","CrystEngComm","2011","13","9","3156","","10.1039/c0ce00362j","","","0.71073","MoKα","","0.0285","0.0266","","","0.0659","0.0676","","","","","","1.061","","","","has coordinates,has disorder","180386","2020-10-21","18:00:00",""
"7205595","18.078","0.006","37.848","0.01","15.839","0.005","90","","123.46","0.004","90","","9041","5","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C35.5 H35 Cl2 N6 O8 S8 Zn -","- C35.5 H30 Cl2 N6 O8 S8 Zn -","- C284 H240 Cl16 N48 O64 S64 Zn8 -","8","1","","Zhu, Qin-Yu; Yu, Lei; Qin, Yu-Rong; Huo, Li-Bin; Shao, Ming-Yan; Dai, Jie","Anion-dependent crystallization of zinc complexes with the ligand 4′,5′-diaza-9′-(4,5-disubstituted-1,3-dithiol-2-ylidene) fluorene: Structures and spectroscopic properties","CrystEngComm","2011","13","7","2521","","10.1039/c0ce00424c","","","0.71075","MoKα","","0.1216","0.098","","","0.1642","0.1764","","","","","","0.948","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205596","16.611","0.0016","15.9977","0.0015","15.7389","0.0015","90","","90","","90","","4182.4","0.7","223","2","223","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C40 H33 N5 O6 S8 Zn -","- C40 H29 N5 O6 S8 Zn -","- C160 H116 N20 O24 S32 Zn4 -","4","1","","Zhu, Qin-Yu; Yu, Lei; Qin, Yu-Rong; Huo, Li-Bin; Shao, Ming-Yan; Dai, Jie","Anion-dependent crystallization of zinc complexes with the ligand 4′,5′-diaza-9′-(4,5-disubstituted-1,3-dithiol-2-ylidene) fluorene: Structures and spectroscopic properties","CrystEngComm","2011","13","7","2521","","10.1039/c0ce00424c","","","0.7107","MoKα","","0.0688","0.0589","","","0.125","0.13","","","","","","1.088","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205597","25.41","0.004","11.2071","0.0015","23.501","0.004","90","","96.552","0.002","90","","6648.7","1.8","223","2","223","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C50 H44 Cl8 N6 O2 S12 Zn3 -","- C50 H36 Cl8 N6 O2 S12 Zn3 -","- C200 H144 Cl32 N24 O8 S48 Zn12 -","4","1","","Zhu, Qin-Yu; Yu, Lei; Qin, Yu-Rong; Huo, Li-Bin; Shao, Ming-Yan; Dai, Jie","Anion-dependent crystallization of zinc complexes with the ligand 4′,5′-diaza-9′-(4,5-disubstituted-1,3-dithiol-2-ylidene) fluorene: Structures and spectroscopic properties","CrystEngComm","2011","13","7","2521","","10.1039/c0ce00424c","","","0.71075","MoKα","","0.1176","0.1033","","","0.1797","0.1862","","","","","","1.185","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205598","25.617","0.005","11.331","0.002","24.005","0.005","90","","94.519","0.003","90","","6946","2","223","2","223","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C55.5 H54 Cl6 N6 O1.5 S12 Zn3 -","- C55.5 H28 Cl6 N6 O1.5 S12 Zn3 -","- C222 H112 Cl24 N24 O6 S48 Zn12 -","4","1","","Zhu, Qin-Yu; Yu, Lei; Qin, Yu-Rong; Huo, Li-Bin; Shao, Ming-Yan; Dai, Jie","Anion-dependent crystallization of zinc complexes with the ligand 4′,5′-diaza-9′-(4,5-disubstituted-1,3-dithiol-2-ylidene) fluorene: Structures and spectroscopic properties","CrystEngComm","2011","13","7","2521","","10.1039/c0ce00424c","","","0.71075","MoKα","","0.1267","0.1003","","","0.2698","0.2934","","","","","","1.153","","","","has coordinates,has disorder","180386","2020-10-21","18:00:00",""
"7205599","9.982","0.005","14.264","0.006","14.747","0.007","90","","101.191","0.007","90","","2059.8","1.7","223","2","223","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C36 H32 Cl2 N4 O8 S8 Zn -","- C36 H32 Cl2 N4 O8 S8 Zn -","- C72 H64 Cl4 N8 O16 S16 Zn2 -","2","0.5","","Zhu, Qin-Yu; Yu, Lei; Qin, Yu-Rong; Huo, Li-Bin; Shao, Ming-Yan; Dai, Jie","Anion-dependent crystallization of zinc complexes with the ligand 4′,5′-diaza-9′-(4,5-disubstituted-1,3-dithiol-2-ylidene) fluorene: Structures and spectroscopic properties","CrystEngComm","2011","13","7","2521","","10.1039/c0ce00424c","","","0.71075","MoKα","","0.1106","0.0782","","","0.153","0.1708","","","","","","1.026","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205600","8.6798","0.0007","9.9988","0.0008","13.7746","0.001","99.506","0.001","101.962","0.001","101.479","0.001","1119.24","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","work","","","- C38 H46 Ag2 F12 N10 Sb2 -","- C38 H46 Ag2 F12 N10 Sb2 -","- C38 H46 Ag2 F12 N10 Sb2 -","1","0.5","","Dobrzańska, Liliana","Anion directed supramolecular architectures of silver(i) complexes with 1,3-bis(imidazol-1-ylmethyl)-2,4,6-trimethylbenzene and a reversible, solvent-induced structural change during a single-crystal-to-single-crystal transformation","CrystEngComm","2011","13","7","2303","","10.1039/c0ce00469c","","","0.71073","MoKα","","0.028","0.027","","","0.064","0.0645","","","","","","1.165","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205601","8.697","0.0005","9.7684","0.0006","13.5891","0.0008","98.38","0.001","101.463","0.001","103.397","0.001","1078.16","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","work","","","- C38 H46 Ag2 F12 N10 P2 -","- C38 H46 Ag2 F12 N10 P2 -","- C38 H46 Ag2 F12 N10 P2 -","1","0.5","","Dobrzańska, Liliana","Anion directed supramolecular architectures of silver(i) complexes with 1,3-bis(imidazol-1-ylmethyl)-2,4,6-trimethylbenzene and a reversible, solvent-induced structural change during a single-crystal-to-single-crystal transformation","CrystEngComm","2011","13","7","2303","","10.1039/c0ce00469c","","","0.71073","MoKα","","0.0291","0.0275","","","0.0692","0.0701","","","","","","1.066","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205602","8.8539","0.0014","9.3957","0.0015","12.052","0.0019","92.737","0.002","102.777","0.002","102.993","0.002","947.7","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","work","","","- C34 H40 Ag2 F12 N8 P2 -","- C34 H40 Ag2 F12 N8 P2 -","- C34 H40 Ag2 F12 N8 P2 -","1","0.5","","Dobrzańska, Liliana","Anion directed supramolecular architectures of silver(i) complexes with 1,3-bis(imidazol-1-ylmethyl)-2,4,6-trimethylbenzene and a reversible, solvent-induced structural change during a single-crystal-to-single-crystal transformation","CrystEngComm","2011","13","7","2303","","10.1039/c0ce00469c","","","0.71073","MoKα","","0.0637","0.055","","","0.1371","0.1424","","","","","","1.156","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205603","8.5514","0.0007","9.6731","0.0008","11.5283","0.0009","94.175","0.001","93.696","0.001","107.143","0.001","905.12","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","work","","","- C34 H40 Ag2 N10 O6 -","- C34 H40 Ag2 N10 O6 -","- C34 H40 Ag2 N10 O6 -","1","0.5","","Dobrzańska, Liliana","Anion directed supramolecular architectures of silver(i) complexes with 1,3-bis(imidazol-1-ylmethyl)-2,4,6-trimethylbenzene and a reversible, solvent-induced structural change during a single-crystal-to-single-crystal transformation","CrystEngComm","2011","13","7","2303","","10.1039/c0ce00469c","","","0.71073","MoKα","","0.0642","0.0611","","","0.1576","0.1608","","","","","","1.077","","","","has coordinates,has disorder","180387","2020-10-21","18:00:00",""
"7205604","9.054","0.01","10.406","0.011","10.574","0.011","69.008","0.016","77.512","0.017","82.171","0.017","906.2","1.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","work","","","- C19 H23 Ag N4 O2 -","- C19 H23 Ag N4 O2 -","- C38 H46 Ag2 N8 O4 -","2","1","","Dobrzańska, Liliana","Anion directed supramolecular architectures of silver(i) complexes with 1,3-bis(imidazol-1-ylmethyl)-2,4,6-trimethylbenzene and a reversible, solvent-induced structural change during a single-crystal-to-single-crystal transformation","CrystEngComm","2011","13","7","2303","","10.1039/c0ce00469c","","","0.71073","MoKα","","0.0738","0.064","","","0.1598","0.1653","","","","","","1.087","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205605","7.629","0.0015","18.696","0.004","13.297","0.003","90","","114.05","0.03","90","","1731.9","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","work","","","- C17 H20 Ag Cl N4 -","- C17 H20 Ag Cl N4 -","- C68 H80 Ag4 Cl4 N16 -","4","1","","Dobrzańska, Liliana","Anion directed supramolecular architectures of silver(i) complexes with 1,3-bis(imidazol-1-ylmethyl)-2,4,6-trimethylbenzene and a reversible, solvent-induced structural change during a single-crystal-to-single-crystal transformation","CrystEngComm","2011","13","7","2303","","10.1039/c0ce00469c","","","0.71073","MoKα","","0.0651","0.0511","","","0.1155","0.1227","","","","","","1.09","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205606","4.8616","0.0006","9.1187","0.0011","13.2712","0.0016","90","","90","","90","","588.33","0.12","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(S)-2-Amino-3-hydroxypropionic acid hydrogen peroxide solvate","(S)-2-Amino-3-hydroxypropionic acid hydrogen peroxide solvate","","- C3 H9 N O5 -","- C3 H9 N O5 -","- C12 H36 N4 O20 -","4","1","","Prikhodchenko, Petr V.; Medvedev, Alexander G.; Tripol'skaya, Tatiana A.; Churakov, Andrei V.; Wolanov, Yitzhak; Howard, Judith A. K.; Lev, Ovadia","Crystal structures of natural amino acid perhydrates","CrystEngComm","2011","13","7","2399","","10.1039/c0ce00481b","","","0.71073","MoKα","","0.0297","0.0294","","","0.0777","0.0782","","","","","","1.13","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205607","7.2854","0.0004","8.0045","0.0005","9.6698","0.0006","79.485","0.001","72.238","0.001","87.275","0.001","527.99","0.05","150","2","150","2","","","","","","","","4","P -1","-P 1","2","glycine hydrogen peroxide sesquisolvate","glycine hydrogen peroxide sesquisolvate","","- C4 H16 N2 O10 -","- C4 H16 N2 O10 -","- C8 H32 N4 O20 -","2","1","","Prikhodchenko, Petr V.; Medvedev, Alexander G.; Tripol'skaya, Tatiana A.; Churakov, Andrei V.; Wolanov, Yitzhak; Howard, Judith A. K.; Lev, Ovadia","Crystal structures of natural amino acid perhydrates","CrystEngComm","2011","13","7","2399","","10.1039/c0ce00481b","","","0.71073","MoKα","","0.0315","0.0291","","","0.0812","0.0828","","","","","","1.048","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205608","8.0479","0.0014","9.6064","0.0017","9.7464","0.0017","81.813","0.003","81.415","0.002","88.676","0.003","737.5","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","2-aminobutyric acid hydrogen peroxide sesquisolvate","2-aminobutyric acid hydrogen peroxide sesquisolvate","","- C8 H24 N2 O10 -","- C8 H24 N2 O10 -","- C16 H48 N4 O20 -","2","1","","Prikhodchenko, Petr V.; Medvedev, Alexander G.; Tripol'skaya, Tatiana A.; Churakov, Andrei V.; Wolanov, Yitzhak; Howard, Judith A. K.; Lev, Ovadia","Crystal structures of natural amino acid perhydrates","CrystEngComm","2011","13","7","2399","","10.1039/c0ce00481b","","","0.71073","MoKα","","0.0404","0.0349","","","0.0908","0.094","","","","","","1.073","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205609","10.0728","0.0007","7.394","0.0006","12.194","0.0007","90","","91.839","0.003","90","","907.72","0.11","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","(2S,3S)-2-Amino-3-methylpentanoic acid hydrogen peroxide solvate hemihydrate","(2S,3S)-2-Amino-3-methylpentanoic acid hydrogen peroxide solvate hemihydrate","","- C6 H16 N O4.5 -","- C6 H16 N O4.5 -","- C24 H64 N4 O18 -","4","1","","Prikhodchenko, Petr V.; Medvedev, Alexander G.; Tripol'skaya, Tatiana A.; Churakov, Andrei V.; Wolanov, Yitzhak; Howard, Judith A. K.; Lev, Ovadia","Crystal structures of natural amino acid perhydrates","CrystEngComm","2011","13","7","2399","","10.1039/c0ce00481b","","","0.71073","MoKα","","0.0351","0.0295","","","0.0671","0.0691","","","","","","1.045","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7205610","10.0268","0.0016","7.2283","0.0012","14.15","0.002","90","","92.78","0.003","90","","1024.3","0.3","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","(S)-2-Amino-3-phenylpropionic acid hydrogen peroxide solvate hemihydrate","(S)-2-Amino-3-phenylpropionic acid hydrogen peroxide solvate hemihydrate","","- C9 H14 N O4.5 -","- C9 H14 N O4.5 -","- C36 H56 N4 O18 -","4","1","","Prikhodchenko, Petr V.; Medvedev, Alexander G.; Tripol'skaya, Tatiana A.; Churakov, Andrei V.; Wolanov, Yitzhak; Howard, Judith A. K.; Lev, Ovadia","Crystal structures of natural amino acid perhydrates","CrystEngComm","2011","13","7","2399","","10.1039/c0ce00481b","","","0.71073","MoKα","","0.0364","0.0315","","","0.0788","0.0809","","","","","","1.076","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7205611","6.129","0.003","6.387","0.003","17.177","0.007","90","","90","","90","","672.4","0.5","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(2S,3R)-2-Amino-3-hydroxybutyric acid hydrogen peroxide solvate","(2S,3R)-2-Amino-3-hydroxybutyric acid hydrogen peroxide solvate","","- C4 H11 N O5 -","- C4 H11 N O5 -","- C16 H44 N4 O20 -","4","1","","Prikhodchenko, Petr V.; Medvedev, Alexander G.; Tripol'skaya, Tatiana A.; Churakov, Andrei V.; Wolanov, Yitzhak; Howard, Judith A. K.; Lev, Ovadia","Crystal structures of natural amino acid perhydrates","CrystEngComm","2011","13","7","2399","","10.1039/c0ce00481b","","","0.71073","MoKα","","0.0382","0.0372","","","0.092","0.0928","","","","","","1.179","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205612","8.7005","0.0019","5.9331","0.0013","10.929","0.002","90","","94.65","0.004","90","","562.3","0.2","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","(S)-2-Amino-3-(4-hydroxyphenyl)propionic acid hydrogen peroxide disolvate","(S)-2-Amino-3-(4-hydroxyphenyl)propionic acid hydrogen peroxide disolvate","","- C9 H15 N O7 -","- C9 H15 N O7 -","- C18 H30 N2 O14 -","2","1","","Prikhodchenko, Petr V.; Medvedev, Alexander G.; Tripol'skaya, Tatiana A.; Churakov, Andrei V.; Wolanov, Yitzhak; Howard, Judith A. K.; Lev, Ovadia","Crystal structures of natural amino acid perhydrates","CrystEngComm","2011","13","7","2399","","10.1039/c0ce00481b","","","0.71073","MoKα","","0.0481","0.0419","","","0.0951","0.0982","","","","","","1.047","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205613","6.8875","0.0011","9.5679","0.0016","10.576","0.0018","90","","101.842","0.002","90","","682.1","0.2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","3-aminopropanoic acid hydrogen peroxide disolvate","3-aminopropanoic acid hydrogen peroxide disolvate","","- C3 H11 N O6 -","- C3 H11 N O6 -","- C12 H44 N4 O24 -","4","1","","Prikhodchenko, Petr V.; Medvedev, Alexander G.; Tripol'skaya, Tatiana A.; Churakov, Andrei V.; Wolanov, Yitzhak; Howard, Judith A. K.; Lev, Ovadia","Crystal structures of natural amino acid perhydrates","CrystEngComm","2011","13","7","2399","","10.1039/c0ce00481b","","","0.71073","MoKα","","0.0309","0.0285","","","0.0759","0.0772","","","","","","1.077","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205614","9.906","0.003","7.645","0.002","11.427","0.003","90","","98.162","0.004","90","","856.6","0.4","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","(2S,3S)-2-Amino-3-methylpentanoic acid hydrogen peroxide solvate","(2S,3S)-2-Amino-3-methylpentanoic acid hydrogen peroxide solvate","","- C6 H15 N O4 -","- C6 H15 N O4 -","- C24 H60 N4 O16 -","4","1","","Prikhodchenko, Petr V.; Medvedev, Alexander G.; Tripol'skaya, Tatiana A.; Churakov, Andrei V.; Wolanov, Yitzhak; Howard, Judith A. K.; Lev, Ovadia","Crystal structures of natural amino acid perhydrates","CrystEngComm","2011","13","7","2399","","10.1039/c0ce00481b","","","0.71073","MoKα","","0.0276","0.027","","","0.0725","0.0728","","","","","","1.091","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205615","9.868","0.002","6.089","0.001","12.466","0.002","90","","108.14","0.03","90","","711.8","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","isoquinolinone","Isoquinolin-3(2H)-one","","- C9 H7 N O -","- C9 H7 N O -","- C36 H28 N4 O4 -","4","1","","Cao, Deng-Ke; Sreevidya, Thekku V.; Botoshansky, Mark; Golden, Gilad; Benedict, Jason B.; Kaftory, Menahem","Formation of different photodimers of isoquinolinone by irradiation of solid molecular compounds","CrystEngComm","2011","13","9","3181","","10.1039/c0ce00489h","","","0.71073","MoKα","","0.0816","0.0661","","","0.1917","0.2018","","","","","","1.113","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205616","7.102","0.006","7.909","0.006","9.35","0.005","97.37","0.03","95.76","0.03","101.14","0.03","506.8","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H22 N2 O6 -","- C22 H22 N2 O6 -","- C22 H22 N2 O6 -","1","0.5","","Cao, Deng-Ke; Sreevidya, Thekku V.; Botoshansky, Mark; Golden, Gilad; Benedict, Jason B.; Kaftory, Menahem","Formation of different photodimers of isoquinolinone by irradiation of solid molecular compounds","CrystEngComm","2011","13","9","3181","","10.1039/c0ce00489h","","","0.71073","MoKα","","0.112","0.0482","","","0.1205","0.1451","","","","","","0.817","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205617","14.166","0.003","9.432","0.002","20.139","0.004","90","","91.88","0.02","90","","2689.4","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,1,6,6-tetraphenyl-2,4-hexadiyne-1,6-diol:2(dimer of Isoquinolin-3(2H)-one).HOAc","","- C35 H29 N2 O5 -","- C34 H25 N2 O3.5 -","- C136 H100 N8 O14 -","4","1","","Cao, Deng-Ke; Sreevidya, Thekku V.; Botoshansky, Mark; Golden, Gilad; Benedict, Jason B.; Kaftory, Menahem","Formation of different photodimers of isoquinolinone by irradiation of solid molecular compounds","CrystEngComm","2011","13","9","3181","","10.1039/c0ce00489h","","","0.71073","MoKα","","0.1034","0.0593","","","0.1505","0.1667","","","","","","1.067","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205618","27.1065","0.0012","9.2347","0.0004","16.4901","0.0008","90","","115.402","0.001","90","","3728.7","0.3","286","2","286","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,1,6,6-tetraphenyl-2,4-hexadiyne-1,6-diol:2(Isoquinolin-3(2H)-one)","","- C48 H36 N2 O4 -","- C48 H36 N2 O4 -","- C192 H144 N8 O16 -","4","0.5","","Cao, Deng-Ke; Sreevidya, Thekku V.; Botoshansky, Mark; Golden, Gilad; Benedict, Jason B.; Kaftory, Menahem","Formation of different photodimers of isoquinolinone by irradiation of solid molecular compounds","CrystEngComm","2011","13","9","3181","","10.1039/c0ce00489h","","","0.71073","MoKα","","0.0717","0.0416","","","0.0984","0.1164","","","","","","1.036","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205619","26.761","0.008","9.111","0.003","16.998","0.006","90","","114.443","0.009","90","","3773","2","286","2","286","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,1,6,6-tetraphenyl-2,4-hexadiyne-1,6-diol: 2(dimer of Isoquinolin-3(2H)-one)","","- C48 H36 N2 O4 -","- C48 H22 N2 O4 -","- C192 H88 N8 O16 -","4","0.5","","Cao, Deng-Ke; Sreevidya, Thekku V.; Botoshansky, Mark; Golden, Gilad; Benedict, Jason B.; Kaftory, Menahem","Formation of different photodimers of isoquinolinone by irradiation of solid molecular compounds","CrystEngComm","2011","13","9","3181","","10.1039/c0ce00489h","","","0.71073","MoKα","","0.2198","0.0879","","","0.2394","0.3502","","","","","","0.926","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205620","25.4736","0.0009","8.5626","0.0003","16.9318","0.0006","90","","90","","90","","3693.2","0.2","260","2","260","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","1,1,6,6-tetraphenyl-2,4-hexadiyne-1,6-diol:2(Isoquinolin-3(2H)-one)","","- C48 H36 N2 O4 -","- C48 H36 N2 O4 -","- C192 H144 N8 O16 -","4","0.5","","Cao, Deng-Ke; Sreevidya, Thekku V.; Botoshansky, Mark; Golden, Gilad; Benedict, Jason B.; Kaftory, Menahem","Formation of different photodimers of isoquinolinone by irradiation of solid molecular compounds","CrystEngComm","2011","13","9","3181","","10.1039/c0ce00489h","","","0.71073","MoKα","","0.0716","0.042","","","0.1009","0.1214","","","","","","1.008","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205621","25.479","0.003","8.1154","0.0008","17.987","0.002","90","","90","","90","","3719.2","0.7","286","2","286","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","1,1,6,6-tetraphenyl-2,4-hexadiyne-1,6-diol:2(dimer of Isoquinolin-3(2H)-one)","","- C48 H36 N2 O4 -","- C48 H22 N2 O4 -","- C192 H88 N8 O16 -","4","0.5","","Cao, Deng-Ke; Sreevidya, Thekku V.; Botoshansky, Mark; Golden, Gilad; Benedict, Jason B.; Kaftory, Menahem","Formation of different photodimers of isoquinolinone by irradiation of solid molecular compounds","CrystEngComm","2011","13","9","3181","","10.1039/c0ce00489h","","","0.71073","MoKα","","0.1681","0.0901","","","0.2565","0.3356","","","","","","1.077","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205622","13.372","0.003","7.167","0.001","28.248","0.006","90","","108.79","0.03","90","","2562.9","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Cyclohexane-1,2,4,5-tetracarboxylic acid:2(Isoquinolin-3(2H)-one),H2O","","- C28 H28 N2 O11 -","- C28 H28 N2 O11 -","- C112 H112 N8 O44 -","4","1","","Cao, Deng-Ke; Sreevidya, Thekku V.; Botoshansky, Mark; Golden, Gilad; Benedict, Jason B.; Kaftory, Menahem","Formation of different photodimers of isoquinolinone by irradiation of solid molecular compounds","CrystEngComm","2011","13","9","3181","","10.1039/c0ce00489h","","","0.71073","MoKα","","0.113","0.0501","","","0.1242","0.1428","","","","","","0.925","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205623","5.728","0.001","22.789","0.004","11.111","0.002","90","","116.9","0.03","90","","1293.4","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3-benzenediol:Isoquinolin-3(2H)-one","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C60 H52 N4 O12 -","4","1","","Cao, Deng-Ke; Sreevidya, Thekku V.; Botoshansky, Mark; Golden, Gilad; Benedict, Jason B.; Kaftory, Menahem","Formation of different photodimers of isoquinolinone by irradiation of solid molecular compounds","CrystEngComm","2011","13","9","3181","","10.1039/c0ce00489h","","","0.71073","MoKα","","0.1014","0.0511","","","0.1478","0.1748","","","","","","0.847","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205624","20.0585","0.0004","9.71812","0.00017","13.84077","0.00026","90","","90","","90","","2697.99","0.09","20","","20","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","from C:/data/powder/koshima_ipbp/irr/rietveld/ipbp_irr_rrr.cif","","","- C31 H37 N O2 -","- C31 H37 N O2 -","- C124 H148 N4 O8 -","4","1","","Fujii, Kotaro; Uekusa, Hidehiro; Fukano, Michitaro; Koshima, Hideko","Metastable polymorphic form of isopropylbenzophenone derivative directly obtained by the solid-state photoreaction investigated by ab initio powder X-ray diffraction analysis","CrystEngComm","2011","13","9","3197","","10.1039/c0ce00500b","powder diffraction","x-ray","1.19751","","","","","","","","","0.0957","","4.53","","","","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205625","7.9787","0.0002","8.0272","0.0002","15.4271","0.0005","92.228","0.002","97.055","0.002","119.405","0.001","848.61","0.04","296","2","296","2","","","","","","","","3","P -1","-P 1","2","orange polymorph","","","- C24 H16 O4 -","- C24 H16 O4 -","- C48 H32 O8 -","2","1","","Urbanczyk-Lipkowska, Zofia; Kalicki, Przemyslaw; Gawinkowski, Sylwester; Waluk, Jacek; Yokoyama, Masashi; Tanaka, Koichi","1,4-Bis(1,3-dioxo-2-indenylidene)cyclohexane: polymorphism, gas phase oxidation and enol form mediated radical formation in the solid state","CrystEngComm","2011","13","9","3170","","10.1039/c0ce00509f","","","1.54178","CuKα","","0.0405","0.0345","","","0.0885","0.0977","","","","","","1.06","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205626","7.986","0.0002","7.0973","0.0002","15.2269","0.0004","90","","100.144","0.001","90","","849.56","0.04","296","2","296","2","","","","","","","","3","C 1 2 1","C 2y","5","yellow polymorph","","","- C24 H16 O4 -","- C24 H16 O4 -","- C48 H32 O8 -","2","0.5","","Urbanczyk-Lipkowska, Zofia; Kalicki, Przemyslaw; Gawinkowski, Sylwester; Waluk, Jacek; Yokoyama, Masashi; Tanaka, Koichi","1,4-Bis(1,3-dioxo-2-indenylidene)cyclohexane: polymorphism, gas phase oxidation and enol form mediated radical formation in the solid state","CrystEngComm","2011","13","9","3170","","10.1039/c0ce00509f","","","1.54178","CuKα","","0.0254","0.0253","","","0.0671","0.0672","","","","","","1.041","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205627","7.5043","0.0007","7.8779","0.0007","8.3841","0.0007","83.864","0.006","79.848","0.007","61.879","0.006","430.14","0.07","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H14 O4 -","- C24 H14 O4 -","- C24 H14 O4 -","1","0.5","","Urbanczyk-Lipkowska, Zofia; Kalicki, Przemyslaw; Gawinkowski, Sylwester; Waluk, Jacek; Yokoyama, Masashi; Tanaka, Koichi","1,4-Bis(1,3-dioxo-2-indenylidene)cyclohexane: polymorphism, gas phase oxidation and enol form mediated radical formation in the solid state","CrystEngComm","2011","13","9","3170","","10.1039/c0ce00509f","","","1.54178","CuKα","","0.115","0.0579","","","0.133","0.1619","","","","","","1.017","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205628","14.4679","0.0009","15.7447","0.0007","15.7561","0.0009","99.217","0.003","108.401","0.002","112.951","0.002","2966.6","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H56 N6 O20 S4 -","- C64 H56 N6 O20 S4 -","- C128 H112 N12 O40 S8 -","2","1","","Leśniewska, Barbara; Danylyuk, Oksana; Suwinska, Kinga; Wojciechowski, Tomasz; Coleman, Anthony W.","Supramolecular versatility in the solid-state complexes of para-sulphonatocalix[4]arene with phenanthroline","CrystEngComm","2011","13","9","3265","","10.1039/c0ce00515k","","","0.71073","MoKα","","0.1381","0.0857","","","0.1791","0.2002","","","","","","1.041","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205629","16.5101","0.0005","17.2117","0.0008","18.3538","0.0009","98.677","0.002","115.325","0.002","105.537","0.002","4325.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C82 H62.5 N9 O32.8 S4 -","- C82 H62.5 N9 O32.862 S4 -","- C164 H125 N18 O65.724 S8 -","2","1","","Leśniewska, Barbara; Danylyuk, Oksana; Suwinska, Kinga; Wojciechowski, Tomasz; Coleman, Anthony W.","Supramolecular versatility in the solid-state complexes of para-sulphonatocalix[4]arene with phenanthroline","CrystEngComm","2011","13","9","3265","","10.1039/c0ce00515k","","","0.71073","MoKα","","0.1465","0.1051","","","0.2304","0.2496","","","","","","1.13","","","","has coordinates,has disorder","180387","2020-10-21","18:00:00",""
"7205630","15.7679","0.0004","19.3917","0.0004","20.0469","0.0007","67.989","0.002","68.407","0.001","73.523","0.001","5208","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C100 H76.54 N12 O34.01 S4 -","- C100 H76.535 N12 O34.012 S4 -","- C200 H153.07 N24 O68.024 S8 -","2","1","","Leśniewska, Barbara; Danylyuk, Oksana; Suwinska, Kinga; Wojciechowski, Tomasz; Coleman, Anthony W.","Supramolecular versatility in the solid-state complexes of para-sulphonatocalix[4]arene with phenanthroline","CrystEngComm","2011","13","9","3265","","10.1039/c0ce00515k","","","0.71073","MoKα","","0.1193","0.1015","","","0.2637","0.2752","","","","","","1.091","","","","has coordinates,has disorder","180387","2020-10-21","18:00:00",""
"7205631","14.959","0.0003","17.5","0.0005","24.004","0.0007","71.799","0.002","85.778","0.002","71.804","0.001","5668.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C104 H111 Al N8 O56.95 S8 -","- C104 H111 Al N8 O56.948 S8 -","- C208 H222 Al2 N16 O113.896 S16 -","2","1","","Leśniewska, Barbara; Danylyuk, Oksana; Suwinska, Kinga; Wojciechowski, Tomasz; Coleman, Anthony W.","Supramolecular versatility in the solid-state complexes of para-sulphonatocalix[4]arene with phenanthroline","CrystEngComm","2011","13","9","3265","","10.1039/c0ce00515k","","","0.71073","MoKα","","0.1247","0.0798","","","0.1715","0.1909","","","","","","1.029","","","","has coordinates,has disorder","180387","2020-10-21","18:00:00",""
"7205632","7.102","0.0002","8.033","0.0002","11.9154","0.0003","95.252","0.001","104.65","0.001","99.577","0.001","642.12","0.03","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C12 H13 N O6 S -","- C12 H13 N O6 S -","- C24 H26 N2 O12 S2 -","2","2","","Wheeler, Kraig A.; Wiseman, Joshua D.; Grove, Rebecca C.","Enantiocontrolled solid-state photodimerizations via a chiral sulfonamidecinnamic acid","CrystEngComm","2011","13","9","3134","","10.1039/c0ce00516a","","","1.54178","CuKα","","0.0282","0.0268","","","0.0706","0.0801","","","","","","1.067","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205633","7.075","0.0003","8.3144","0.0004","11.1366","0.0005","94.937","0.003","102.315","0.003","102.312","0.003","619.34","0.05","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C24 H26 N2 O12 S2 -","- C24 H26 N2 O12 S2 -","- C24 H26 N2 O12 S2 -","1","1","","Wheeler, Kraig A.; Wiseman, Joshua D.; Grove, Rebecca C.","Enantiocontrolled solid-state photodimerizations via a chiral sulfonamidecinnamic acid","CrystEngComm","2011","13","9","3134","","10.1039/c0ce00516a","","","1.54178","CuKα","","0.0871","0.0543","","","0.1215","0.1391","","","","","","1.028","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205634","11.6327","0.0019","11.6594","0.0019","11.861","0.002","71.091","0.003","77.13","0.003","85.864","0.003","1483.7","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H24 Cu Mo4 N12 O15 -","- C14 H24 Cu Mo4 N12 O15 -","- C28 H48 Cu2 Mo8 N24 O30 -","2","1","","Du, Xiao-Di; Li, Cheng-Hui; Zhang, Yuan; Liu, Sheng; Ma, Yue; You, Xiao-Zeng","Coordination polymers based on the octamolybdate and flexible bis(triazole) ligands with different spacer lengths","CrystEngComm","2011","13","7","2350","","10.1039/c0ce00517g","","","0.71073","MoKα","","0.0948","0.0721","","","0.1744","0.1861","","","","","","1.059","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205635","10.697","0.0011","14.3444","0.0015","17.8853","0.0019","90","","91.635","0.002","90","","2743.2","0.5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H46 Cu2 Mo8 N18 O31 -","- C24 H46 Cu2 Mo8 N18 O31 -","- C48 H92 Cu4 Mo16 N36 O62 -","2","0.5","","Du, Xiao-Di; Li, Cheng-Hui; Zhang, Yuan; Liu, Sheng; Ma, Yue; You, Xiao-Zeng","Coordination polymers based on the octamolybdate and flexible bis(triazole) ligands with different spacer lengths","CrystEngComm","2011","13","7","2350","","10.1039/c0ce00517g","","","0.71073","MoKα","","0.054","0.0395","","","0.0898","0.0951","","","","","","1.008","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205636","12.4369","0.0016","12.8417","0.0016","13.2691","0.0017","99.98","0.002","105.142","0.002","111.649","0.002","1813.4","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H34 Cu Mo4 N12 O14 -","- C20 H34 Cu Mo4 N12 O14 -","- C40 H68 Cu2 Mo8 N24 O28 -","2","1","","Du, Xiao-Di; Li, Cheng-Hui; Zhang, Yuan; Liu, Sheng; Ma, Yue; You, Xiao-Zeng","Coordination polymers based on the octamolybdate and flexible bis(triazole) ligands with different spacer lengths","CrystEngComm","2011","13","7","2350","","10.1039/c0ce00517g","","","0.71073","MoKα","","0.0599","0.0506","","","0.1228","0.1275","","","","","","1.06","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7205637","13.82","0.008","12.922","0.008","17.143","0.01","90","","112.83","0.008","90","","2822","3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,5 lutidinium pamoate THF solvate","","","- C34 H33 N O7 -","- C34.03 H25 N O7.01 -","- C136.12 H100 N4 O28.04 -","4","1","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","Solvate formation in lutidinium pamoate salts: a systematic study","CrystEngComm","2011","13","7","2227","","10.1039/c0ce00528b","","","0.71073","MoKα","","0.1676","0.1191","","","0.3655","0.4166","","","","","","1.426","","","","has coordinates,has disorder","180387","2020-10-21","18:00:00",""
"7205638","13.895","0.0007","11.6523","0.0006","21.2968","0.0011","90","","102.131","0.001","90","","3371.1","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","2,3 lutidine pamoate DMF solvate","","","- C40 H41 N3 O7 -","- C40 H41 N3 O7 -","- C160 H164 N12 O28 -","4","0.5","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","Solvate formation in lutidinium pamoate salts: a systematic study","CrystEngComm","2011","13","7","2227","","10.1039/c0ce00528b","","","0.71073","MoKα","","0.0529","0.0401","","","0.1024","0.1118","","","","","","1.058","","","","has coordinates,has disorder","180387","2020-10-21","18:00:00",""
"7205639","13.9767","0.0012","12.6966","0.0011","16.7676","0.0015","90","","108.773","0.001","90","","2817.2","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,4 lutidinium pamoate DMF solvate","","","- C33 H32 N2 O7 -","- C33 H32 N2 O7 -","- C132 H128 N8 O28 -","4","1","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","Solvate formation in lutidinium pamoate salts: a systematic study","CrystEngComm","2011","13","7","2227","","10.1039/c0ce00528b","","","0.71073","MoKα","","0.0713","0.0443","","","0.1127","0.1265","","","","","","0.953","","","","has coordinates,has disorder","180387","2020-10-21","18:00:00",""
"7205640","13.794","0.003","13.334","0.003","16.615","0.003","90","","110.507","0.003","90","","2862.3","1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3,4 lutidinium pamoate DMF solvate","","","- C33 H32 N2 O7 -","- C33 H32 N2 O7 -","- C132 H128 N8 O28 -","4","1","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","Solvate formation in lutidinium pamoate salts: a systematic study","CrystEngComm","2011","13","7","2227","","10.1039/c0ce00528b","","","0.71073","MoKα","","0.0877","0.0525","","","0.135","0.1589","","","","","","1.039","","","","has coordinates,has disorder","180387","2020-10-21","18:00:00",""
"7205641","13.8721","0.0011","12.9708","0.001","16.9195","0.0014","90","","111.337","0.001","90","","2835.7","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3,5 lutidinium pamoate DMF solvate","","","- C33 H32 N2 O7 -","- C33 H32 N2 O7 -","- C132 H128 N8 O28 -","4","1","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","Solvate formation in lutidinium pamoate salts: a systematic study","CrystEngComm","2011","13","7","2227","","10.1039/c0ce00528b","","","0.71073","MoKα","","0.0574","0.0438","","","0.1149","0.1254","","","","","","1.041","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205642","13.661","0.0019","13.7621","0.0019","16.906","0.002","90","","112.929","0.002","90","","2927.3","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,3 lutidinium pamoate NMP solvate","","","- C35 H34 N2 O7 -","- C35 H34 N2 O7 -","- C140 H136 N8 O28 -","4","1","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","Solvate formation in lutidinium pamoate salts: a systematic study","CrystEngComm","2011","13","7","2227","","10.1039/c0ce00528b","","","0.71073","MoKα","","0.0838","0.0597","","","0.1615","0.1812","","","","","","1.071","","","","has coordinates,has disorder","180387","2020-10-21","18:00:00",""
"7205643","7.6968","0.0008","9.0998","0.0009","21.112","0.002","82.041","0.001","86.546","0.001","79.883","0.001","1440.7","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","2,4 lutidinium pamoate NMP solvate","","","- C35 H34 N2 O7 -","- C35 H34 N2 O7 -","- C70 H68 N4 O14 -","2","1","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","Solvate formation in lutidinium pamoate salts: a systematic study","CrystEngComm","2011","13","7","2227","","10.1039/c0ce00528b","","","0.71073","MoKα","","0.0536","0.0471","","","0.1216","0.1285","","","","","","1.039","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205644","7.637","0.0006","10.423","0.0008","20.033","0.0016","89.292","0.001","85.445","0.001","74.644","0.001","1532.8","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","2,5 lutidinium pamoate NMP solvate","","","- C28 H24.5 N O7 -","- C28 H24.5 N O7 -","- C56 H49 N2 O14 -","2","1","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","Solvate formation in lutidinium pamoate salts: a systematic study","CrystEngComm","2011","13","7","2227","","10.1039/c0ce00528b","","","0.71073","MoKα","","0.0499","0.0417","","","0.1175","0.1225","","","","","","1.131","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205645","14.4128","0.0007","24.7372","0.0011","16.132","0.0007","90","","91.63","0.001","90","","5749.3","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","pamoic acid NMP solvate","","","- C33 H34 N2 O8 -","- C33 H34 N2 O8 -","- C264 H272 N16 O64 -","8","2","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","Solvate formation in lutidinium pamoate salts: a systematic study","CrystEngComm","2011","13","7","2227","","10.1039/c0ce00528b","","","0.71073","MoKα","","0.0719","0.0404","","","0.0796","0.0918","","","","","","0.905","","","","has coordinates,has disorder","180387","2020-10-21","18:00:00",""
"7205646","7.6795","0.0014","10.384","0.002","20.335","0.004","88.829","0.002","83.31","0.002","74.932","0.002","1555.1","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","3,4 lutidinium pamoate NMP solvate","","","- C28 H24.5 N O7 -","- C28 H24.5 N O7 -","- C56 H49 N2 O14 -","2","1","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","Solvate formation in lutidinium pamoate salts: a systematic study","CrystEngComm","2011","13","7","2227","","10.1039/c0ce00528b","","","0.71073","MoKα","","0.0537","0.0446","","","0.1325","0.1384","","","","","","1.108","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205647","26.404","0.002","4.7782","0.0004","24.059","0.002","90","","115.175","0.002","90","","2747","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","bis(2-picoline) pamoaic acid co-crystal","","","- C35 H30 N2 O6 -","- C35 H30 N2 O6 -","- C140 H120 N8 O24 -","4","0.5","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","Solvate formation in lutidinium pamoate salts: a systematic study","CrystEngComm","2011","13","7","2227","","10.1039/c0ce00528b","","","0.71073","MoKα","","0.0532","0.0401","","","0.097","0.1064","","","","","","1.02","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205648","9.5321","0.0009","10.0301","0.001","14.9869","0.0015","81.54","0.001","87.445","0.001","87.28","0.001","1414.7","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","bis(3-picolinium) pamoate","","","- C35 H30 N2 O6 -","- C35 H30 N2 O6 -","- C70 H60 N4 O12 -","2","1","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","Solvate formation in lutidinium pamoate salts: a systematic study","CrystEngComm","2011","13","7","2227","","10.1039/c0ce00528b","","","0.71073","MoKα","","0.0455","0.0372","","","0.0957","0.1025","","","","","","1.053","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205649","13.8694","0.0011","12.7194","0.001","16.5587","0.0013","90","","111.16","0.001","90","","2724.2","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-picolinium pamoate THF solvate","","","- C33 H31 N O7 -","- C33 H31 N O7 -","- C132 H124 N4 O28 -","4","1","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","Solvate formation in lutidinium pamoate salts: a systematic study","CrystEngComm","2011","13","7","2227","","10.1039/c0ce00528b","","","0.71073","MoKα","","0.0568","0.0421","","","0.1081","0.1188","","","","","","1.048","","","","has coordinates,has disorder","180387","2020-10-21","18:00:00",""
"7205650","12.3324","0.0014","12.9301","0.0015","18.078","0.002","90","","99.542","0.002","90","","2842.8","0.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","bis(4-picolinium) pamoate","","","- C35 H30 N2 O6 -","- C35 H30 N2 O6 -","- C140 H120 N8 O24 -","4","0.5","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","Solvate formation in lutidinium pamoate salts: a systematic study","CrystEngComm","2011","13","7","2227","","10.1039/c0ce00528b","","","0.71073","MoKα","","0.0497","0.038","","","0.0959","0.1031","","","","","","1.067","","","","has coordinates,has disorder","180387","2020-10-21","18:00:00",""
"7205651","14.108","0.002","11.5703","0.0018","21.107","0.003","90","","101.733","0.002","90","","3373.4","0.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(3-picolinium) pamoate 3-picoline co-crystal","","","- C41 H37 N3 O6 -","- C41 H37 N3 O6 -","- C164 H148 N12 O24 -","4","1","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","Solvate formation in lutidinium pamoate salts: a systematic study","CrystEngComm","2011","13","7","2227","","10.1039/c0ce00528b","","","0.71073","MoKα","","0.0584","0.0402","","","0.0948","0.1059","","","","","","1.032","","","","has coordinates,has disorder","180387","2020-10-21","18:00:00",""
"7205652","8.897","0.0009","13.7462","0.0013","21.261","0.002","90","","95.519","0.001","90","","2588.2","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","dimethylammonium pamoate DMF solvate","","","- C28 H30 N2 O7 -","- C28 H30 N2 O7 -","- C112 H120 N8 O28 -","4","1","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","Solvate formation in lutidinium pamoate salts: a systematic study","CrystEngComm","2011","13","7","2227","","10.1039/c0ce00528b","","","0.71073","MoKα","","0.0788","0.0468","","","0.1034","0.1222","","","","","","1.03","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205653","14.536","0.003","5.2295","0.0005","6.4483","0.0008","90","","100.415","0.013","90","","482.1","0.13","294","","294","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C4 H5 Ca0.5 O2 -","- C4 H5 Ca0.5 O2 -","- C16 H20 Ca2 O8 -","4","1","","Hickey, Magali B.; Schlam, Roxana F.; Guo, Chengyun; Cho, Tae H.; Snider, Barry B.; Foxman, Bruce M.","Stereospecific solid-state cyclodimerization of bis(trans-2-butenoato)calcium and triaquabis(trans-2-butenoato)magnesium","CrystEngComm","2011","13","9","3146","","10.1039/c0ce00535e","","","0.71073","MoKα","","0.0455","0.0333","","0.0594","0.042","0.042","","","","","","1.0087","","","","has coordinates,has disorder","288252","2023-12-12","14:26:25",""
"7205654","17.0609","0.001","8.1048","0.001","9.1311","0.001","90","","101.23","0.01","90","","1238.4","0.2","294","","294","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H16 Mg O7 -","- C8 H16 Mg O7 -","- C32 H64 Mg4 O28 -","4","1","","Hickey, Magali B.; Schlam, Roxana F.; Guo, Chengyun; Cho, Tae H.; Snider, Barry B.; Foxman, Bruce M.","Stereospecific solid-state cyclodimerization of bis(trans-2-butenoato)calcium and triaquabis(trans-2-butenoato)magnesium","CrystEngComm","2011","13","9","3146","","10.1039/c0ce00535e","","","0.71073","MoKα","","0.1648","0.0478","","0.0855","0.0351","0.0351","","","","","","1.1799","","","","has coordinates","288252","2023-12-12","14:26:25",""
"7205655","10.8413","0.0004","10.7317","0.0003","12.404","0.0004","90","","112.033","0.004","90","","1337.75","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H16 N4 O12 -","- C32 H16 N4 O12 -","- C64 H32 N8 O24 -","2","1","","Kleyn, Anneli; Jacobs, Tia; Barbour, Leonard J.","Solid-state structural studies of oxacalix[2]arene[2]naphthalene as a molecular tweezer","CrystEngComm","2011","13","9","3175","","10.1039/c0ce00536c","","","1.54184","CuKα","","0.0622","0.0388","","","0.0924","0.104","","","","","","0.833","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205656","11.982","0.003","21.272","0.006","12.948","0.003","90","","110.586","0.003","90","","3089.5","1.4","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","DMF","","","- C35 H23 N5 O13 -","- C35 H23 N5 O13 -","- C140 H92 N20 O52 -","4","1","","Kleyn, Anneli; Jacobs, Tia; Barbour, Leonard J.","Solid-state structural studies of oxacalix[2]arene[2]naphthalene as a molecular tweezer","CrystEngComm","2011","13","9","3175","","10.1039/c0ce00536c","","","0.71073","MoKα","","0.0456","0.0392","","","0.105","0.1094","","","","","","1.051","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7205657","11.918","0.003","21.169","0.005","13.55","0.003","90","","110.775","0.002","90","","3196.3","1.3","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C36 H25 N5 O13 -","- C36 H25 N5 O13 -","- C144 H100 N20 O52 -","4","1","","Kleyn, Anneli; Jacobs, Tia; Barbour, Leonard J.","Solid-state structural studies of oxacalix[2]arene[2]naphthalene as a molecular tweezer","CrystEngComm","2011","13","9","3175","","10.1039/c0ce00536c","","","0.71073","MoKα","","0.0537","0.0526","","","0.1573","0.1582","","","","","","1.099","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7205658","12.2118","0.0013","21.065","0.002","13.1639","0.0015","90","","110.508","0.002","90","","3171.7","0.6","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C74 H50 N10 O26 -","- C74 H50 N10 O26 -","- C148 H100 N20 O52 -","2","0.5","","Kleyn, Anneli; Jacobs, Tia; Barbour, Leonard J.","Solid-state structural studies of oxacalix[2]arene[2]naphthalene as a molecular tweezer","CrystEngComm","2011","13","9","3175","","10.1039/c0ce00536c","","","0.71073","MoKα","","0.0605","0.0462","","","0.1005","0.1068","","","","","","1.05","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7205659","11.6967","0.0012","13.138","0.0013","13.3989","0.0013","92.294","0.001","96.576","0.001","112.537","0.001","1881.4","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Nitrobenzene solvate","","","- C44 H26 N6 O16 -","- C44 H26 N6 O16 -","- C88 H52 N12 O32 -","2","1","","Kleyn, Anneli; Jacobs, Tia; Barbour, Leonard J.","Solid-state structural studies of oxacalix[2]arene[2]naphthalene as a molecular tweezer","CrystEngComm","2011","13","9","3175","","10.1039/c0ce00536c","","","0.71073","MoKα","","0.0383","0.0336","","","0.0852","0.0892","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205660","32.461","0.012","18.024","0.006","19.748","0.007","90","","119.964","0.009","90","","10010","6","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C30 H10 Cu2 N2 O14 -","- C30 H10 Cu2 N2 O14 -","- C180 H60 Cu12 N12 O84 -","6","0.75","","Perman, Jason A.; Cairns, Amy J.; Wojtas, Łukasz; Eddaoudi, Mohamed; Zaworotko, Michael J.","Cocrystal controlled solid-state synthesis of a rigid tetracarboxylate ligand that pillars both square grid and Kagomé lattice layers","CrystEngComm","2011","13","9","3130","","10.1039/c0ce00542h","","","0.71073","MoKα","","0.1634","0.0819","","","0.1423","0.1568","","","","","","0.951","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205661","15.2248","0.0003","36.4392","0.0007","10.3036","0.0002","90","","90","","90","","5716.23","0.19","100","2","100","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C38 H28 Cu2 N4 O14 -","- C38 H28 Cu2 N4 O14 -","- C152 H112 Cu8 N16 O56 -","4","0.25","","Perman, Jason A.; Cairns, Amy J.; Wojtas, Łukasz; Eddaoudi, Mohamed; Zaworotko, Michael J.","Cocrystal controlled solid-state synthesis of a rigid tetracarboxylate ligand that pillars both square grid and Kagomé lattice layers","CrystEngComm","2011","13","9","3130","","10.1039/c0ce00542h","","","1.54178","CuKα","","0.0452","0.0375","","","0.1018","0.1057","","","","","","1.032","","","","has coordinates,has disorder","180387","2020-10-21","18:00:00",""
"7205662","14.981","0.002","36.371","0.005","10.922","0.002","90","","90","","90","","5951.1","1.6","183","2","183","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C44 H28 Cu2 N4 O12 -","- C44 H28 Cu2 N4 O12 -","- C176 H112 Cu8 N16 O48 -","4","0.25","","Perman, Jason A.; Cairns, Amy J.; Wojtas, Łukasz; Eddaoudi, Mohamed; Zaworotko, Michael J.","Cocrystal controlled solid-state synthesis of a rigid tetracarboxylate ligand that pillars both square grid and Kagomé lattice layers","CrystEngComm","2011","13","9","3130","","10.1039/c0ce00542h","","","0.71073","MoKα","","0.0491","0.0429","","","0.1238","0.1285","","","","","","1.039","","","","has coordinates,has disorder","180387","2020-10-21","18:00:00",""
"7205663","4.9179","0.0005","5.4897","0.0007","9.5322","0.0011","92.426","0.009","102.087","0.009","94.81","0.009","250.28","0.05","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C8 H10 N2 O6 -","- C8 H10 N2 O6 -","- C8 H10 N2 O6 -","1","1","","Braga, Dario; Grepioni, Fabrizia; Lampronti, Giulio I.","Supramolecular metathesis: co-former exchange in co-crystals of pyrazine with (R,R)-, (S,S)-, (R,S)- and (S,S/R,R)-tartaric acid","CrystEngComm","2011","13","9","3122","","10.1039/c0ce00576b","","","0.71073","MoKα","","0.0629","0.0375","","","","0.0737","","","","","","0.804","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205664","4.9168","0.0005","5.4373","0.0005","14.7869","0.0014","81.199","0.008","83.738","0.008","88.135","0.008","388.28","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H8 N O6 -","- C6 H8 N O6 -","- C12 H16 N2 O12 -","2","1","","Braga, Dario; Grepioni, Fabrizia; Lampronti, Giulio I.","Supramolecular metathesis: co-former exchange in co-crystals of pyrazine with (R,R)-, (S,S)-, (R,S)- and (S,S/R,R)-tartaric acid","CrystEngComm","2011","13","9","3122","","10.1039/c0ce00576b","","","0.71073","MoKα","","0.0918","0.0568","","","","0.1808","","","","","","0.826","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205665","11.4966","0.0004","5.1521","0.0002","17.0937","0.0006","90","","96.315","0.003","90","","1006.34","0.06","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H10 N2 O6 -","- C8 H10 N2 O6 -","- C32 H40 N8 O24 -","4","1","","Braga, Dario; Grepioni, Fabrizia; Lampronti, Giulio I.","Supramolecular metathesis: co-former exchange in co-crystals of pyrazine with (R,R)-, (S,S)-, (R,S)- and (S,S/R,R)-tartaric acid","CrystEngComm","2011","13","9","3122","","10.1039/c0ce00576b","","","0.71073","MoKα","","0.084","0.0491","","","","0.105","","","","","","0.973","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205666","4.9819","0.0005","5.3114","0.0007","14.748","0.002","89.543","0.012","86.238","0.01","84.973","0.01","387.91","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H8 N O6 -","- C6 H8 N O6 -","- C12 H16 N2 O12 -","2","1","","Braga, Dario; Grepioni, Fabrizia; Lampronti, Giulio I.","Supramolecular metathesis: co-former exchange in co-crystals of pyrazine with (R,R)-, (S,S)-, (R,S)- and (S,S/R,R)-tartaric acid","CrystEngComm","2011","13","9","3122","","10.1039/c0ce00576b","","","0.71073","MoKα","","0.0715","0.0419","","","","0.1169","","","","","","0.788","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205667","9.41","0.001","13.033","0.001","15.183","0.002","90","","103.112","0.009","90","","1813.5","0.3","298","","298","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H43 N3 O8 S -","- C41 H43 N3 O8 S -","- C82 H86 N6 O16 S2 -","2","1","","Altamura, Maria; Guidi, Antonio; Jierry, Loïc; Paoli, Paola; Rossi, Patrizia","Uncommon crystal motif of brucine in its diastereomeric salt with (11-oxo-11H-dibenzo[b,f][1,4]thiazepin-10-yl)-acetic acid: a case of possible crystallization-induced dynamic resolution","CrystEngComm","2011","13","7","2310","","10.1039/c0ce00595a","","","0.71073","MoKα","","0.0671","0.041","","","0.0763","0.0834","","","","","","0.84","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205668","6.2214","0.0005","8.6255","0.0006","26.3909","0.0018","90","","93.039","0.004","90","","1414.21","0.18","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H13 F6 N2 O3 P -","- C10 H13 F6 N2 O3 P -","- C40 H52 F24 N8 O12 P4 -","4","1","","Lee, Chia-Hao; Su, Fang-Yi; Lin, Yi-Hsiu; Chou, Chih-Ho; Lee, Kwang-Ming","Anion-controlled assemblies of C‒H⋯O hydrogen bonded grid, stair or bilayer structures by L-shaped pyridinium salts","CrystEngComm","2011","13","7","2318","","10.1039/c0ce00610f","","","0.71073","MoKα","","0.0347","0.0297","","","0.0871","0.1008","","","","","","1.14","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205669","5.9302","0.0004","8.368","0.0006","26.0876","0.0017","89.168","0.004","87.153","0.004","87.763","0.004","1291.88","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H13 B F4 N2 O3 -","- C10 H13 B F4 N2 O3 -","- C40 H52 B4 F16 N8 O12 -","4","2","","Lee, Chia-Hao; Su, Fang-Yi; Lin, Yi-Hsiu; Chou, Chih-Ho; Lee, Kwang-Ming","Anion-controlled assemblies of C‒H⋯O hydrogen bonded grid, stair or bilayer structures by L-shaped pyridinium salts","CrystEngComm","2011","13","7","2318","","10.1039/c0ce00610f","","","0.71073","MoKα","","0.0769","0.0601","","","0.173","0.191","","","","","","1.057","","","","has coordinates,has disorder","180387","2020-10-21","18:00:00",""
"7205670","10.812","0.002","11.241","0.002","13.008","0.002","88.651","0.004","86.423","0.004","73.822","0.004","1515.4","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H26 F6 N4 O12 S2 -","- C22 H26 F6 N4 O12 S2 -","- C44 H52 F12 N8 O24 S4 -","2","1","","Lee, Chia-Hao; Su, Fang-Yi; Lin, Yi-Hsiu; Chou, Chih-Ho; Lee, Kwang-Ming","Anion-controlled assemblies of C‒H⋯O hydrogen bonded grid, stair or bilayer structures by L-shaped pyridinium salts","CrystEngComm","2011","13","7","2318","","10.1039/c0ce00610f","","","0.71073","MoKα","","0.0701","0.0625","","","0.1924","0.1991","","","","","","1.128","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205671","30.056","0.006","5.1055","0.0009","20.239","0.004","90","","129.083","0.003","90","","2410.7","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H14 Br N2 O3.5 -","- C10 H14 Br N2 O3.5 -","- C80 H112 Br8 N16 O28 -","8","1","","Lee, Chia-Hao; Su, Fang-Yi; Lin, Yi-Hsiu; Chou, Chih-Ho; Lee, Kwang-Ming","Anion-controlled assemblies of C‒H⋯O hydrogen bonded grid, stair or bilayer structures by L-shaped pyridinium salts","CrystEngComm","2011","13","7","2318","","10.1039/c0ce00610f","","","0.71073","MoKα","","0.0424","0.0337","","","0.0817","0.088","","","","","","1.052","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205672","12.873","0.002","15.947","0.003","16.881","0.003","90","","90.206","0.005","90","","3465.4","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2(1,5-bis(4-pyridyl)-1,4-pentadiene-3- one).(phloroglucinol).4(H2O)","2(1,5-bis(4-pyridyl)-1,4-pentadiene-3-one).(phloroglucinol).4(H2O)","","- C36 H38 N4 O9 -","- C36 H30 N4 O9 -","- C144 H120 N16 O36 -","4","1","","Santra, Ramkinkar; Biradha, Kumar","Solid state double [2 + 2] photochemical reactions in the co-crystal forms of 1,5-bis(4-pyridyl)-1,4-pentadiene-3-one: establishing mechanism using single crystal X-ray, UV and 1H NMR","CrystEngComm","2011","13","9","3246","","10.1039/c0ce00612b","","","0.71073","MoKα","","0.1038","0.0637","","","0.1806","0.1999","","","","","","1.221","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205673","19.3013","0.0016","15.3054","0.0013","28.1176","0.0019","90","","122.935","0.004","90","","6971.4","1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4(1,5-bis(4-pyridyl)-1,4-pentadiene-3- one).3(phloroglucinol).4(H2O)","4(1,5-bis(4-pyridyl)-1,4-pentadiene-3-one).3(phloroglucinol).4(H2O)","","- C78 H74 N8 O17 -","- C78 H66 N8 O17 -","- C312 H264 N32 O68 -","4","1","","Santra, Ramkinkar; Biradha, Kumar","Solid state double [2 + 2] photochemical reactions in the co-crystal forms of 1,5-bis(4-pyridyl)-1,4-pentadiene-3-one: establishing mechanism using single crystal X-ray, UV and 1H NMR","CrystEngComm","2011","13","9","3246","","10.1039/c0ce00612b","","","0.71073","MoKα","","0.1256","0.0592","","","0.1616","0.1901","","","","","","1.018","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205674","8.6268","0.0009","9.6019","0.001","12.1252","0.0013","76.149","0.003","88.03","0.003","67.701","0.003","900.46","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","(1,5-bis(4-pyridyl)-1,4-pentadiene-3-one).(phloroglucinol)","(1,5-bis(4-pyridyl)-1,4-pentadiene-3-one).(phloroglucinol)","","- C21 H18 N2 O4 -","- C21 H18 N2 O4 -","- C42 H36 N4 O8 -","2","1","","Santra, Ramkinkar; Biradha, Kumar","Solid state double [2 + 2] photochemical reactions in the co-crystal forms of 1,5-bis(4-pyridyl)-1,4-pentadiene-3-one: establishing mechanism using single crystal X-ray, UV and 1H NMR","CrystEngComm","2011","13","9","3246","","10.1039/c0ce00612b","","","0.71073","MoKα","","0.0617","0.0408","","","0.1282","0.1416","","","","","","0.978","","","","has coordinates,has disorder","180387","2020-10-21","18:00:00",""
"7205675","12.091","0.002","14.993","0.003","22.115","0.004","90","","97.25","0.005","90","","3977","1.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","2(1,5-bis(4-pyridyl)-1,4-pentadiene-3- one).2(methoxyresorcinol).(H2O)","2(1,5-bis(4-pyridyl)-1,4-pentadiene-3-one).2(methoxyresorcinol).(H2O)","","- C22 H21 N2 O4.25 -","- C22 H20 N2 O4 -","- C176 H160 N16 O32 -","8","1","","Santra, Ramkinkar; Biradha, Kumar","Solid state double [2 + 2] photochemical reactions in the co-crystal forms of 1,5-bis(4-pyridyl)-1,4-pentadiene-3-one: establishing mechanism using single crystal X-ray, UV and 1H NMR","CrystEngComm","2011","13","9","3246","","10.1039/c0ce00612b","","","0.71073","MoKα","","0.1168","0.0808","","","0.2041","0.2245","","","","","","1.364","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205676","15.178","0.005","6.09","0.002","26.47","0.008","90","","102.28","0.01","90","","2390.7","1.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1,3-bis(4-pyridyl)-2,4-bis(-3(4-pyridyl)propenoyl)cyclobutane","1,3-bis(4-pyridyl)-2,4-bis(-3(4-pyridyl)propenoyl)cyclobutane","","- C30 H24 N4 O2 -","- C30 H24 N4 O2 -","- C120 H96 N16 O8 -","4","1","","Santra, Ramkinkar; Biradha, Kumar","Solid state double [2 + 2] photochemical reactions in the co-crystal forms of 1,5-bis(4-pyridyl)-1,4-pentadiene-3-one: establishing mechanism using single crystal X-ray, UV and 1H NMR","CrystEngComm","2011","13","9","3246","","10.1039/c0ce00612b","","","0.71073","MoKα","","0.1758","0.0761","","","0.1718","0.2028","","","","","","0.966","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205677","3.787","0.003","7.549","0.005","11.992","0.008","74.198","0.008","88.428","0.007","85.816","0.007","329","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H8 Cl4 Cu N2 -","- C10 H8 Cl4 Cu N2 -","- C10 H8 Cl4 Cu N2 -","1","0.5","","Vitorica-Yrezabal, Iñigo J.; Sullivan, Rachel A.; Purver, Stephen L.; Curfs, Caroline; Tang, Chiu C.; Brammer, Lee","Synthesis and polymorphism of (4-ClpyH)2[CuCl4]: solid‒gas and solid‒solid reactions","CrystEngComm","2011","13","9","3189","","10.1039/c0ce00628a","","","0.6998","","","0.1625","0.1111","","","0.2526","0.2743","","","","","","1.168","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205678","7.5585","0.0004","27.376","0.0013","8.7184","0.0004","90","","115.492","0.002","90","","1628.39","0.14","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Cl6 Cu N2 -","- C10 H10 Cl6 Cu N2 -","- C40 H40 Cl24 Cu4 N8 -","4","1","","Vitorica-Yrezabal, Iñigo J.; Sullivan, Rachel A.; Purver, Stephen L.; Curfs, Caroline; Tang, Chiu C.; Brammer, Lee","Synthesis and polymorphism of (4-ClpyH)2[CuCl4]: solid‒gas and solid‒solid reactions","CrystEngComm","2011","13","9","3189","","10.1039/c0ce00628a","","","0.71073","MoKα","","0.0191","0.0176","","","0.0415","0.042","","","","","","1.056","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205679","7.578","0.0015","27.411","0.006","8.7224","0.0017","90","","115.57","0.03","90","","1634.4","0.7","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Cl6 Cu N2 -","- C10 H10 Cl6 Cu N2 -","- C40 H40 Cl24 Cu4 N8 -","4","1","","Vitorica-Yrezabal, Iñigo J.; Sullivan, Rachel A.; Purver, Stephen L.; Curfs, Caroline; Tang, Chiu C.; Brammer, Lee","Synthesis and polymorphism of (4-ClpyH)2[CuCl4]: solid‒gas and solid‒solid reactions","CrystEngComm","2011","13","9","3189","","10.1039/c0ce00628a","","","0.71073","MoKα","","0.0361","0.0286","","","0.0672","0.0695","","","","","","1.042","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205680","16.263","0.003","7.3876","0.0015","13.645","0.003","90","","99.33","0.03","90","","1617.7","0.6","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 Cl6 Cu N2 -","- C10 H10 Cl6 Cu N2 -","- C40 H40 Cl24 Cu4 N8 -","4","0.5","","Vitorica-Yrezabal, Iñigo J.; Sullivan, Rachel A.; Purver, Stephen L.; Curfs, Caroline; Tang, Chiu C.; Brammer, Lee","Synthesis and polymorphism of (4-ClpyH)2[CuCl4]: solid‒gas and solid‒solid reactions","CrystEngComm","2011","13","9","3189","","10.1039/c0ce00628a","","","0.71073","MoKα","","0.0267","0.0238","","","0.0643","0.0654","","","","","","1.066","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205681","22.841","0.003","22.841","0.003","15.503","0.003","90","","90","","90","","8088","2","150","2","150","2","","","","","","","","8","I 41/a :2","-I 4ad","88","","","","- C56 H57 Co Mo8 N16 O42 P V6 -","- C56 H56 Co Mo8 N16 O42 P V6 -","- C224 H224 Co4 Mo32 N64 O168 P4 V24 -","4","0.25","","Meng, Jing-Xin; Lu, Ying; Li, Yang-Guang; Fu, Hai; Wang, En-Bo","Controllable self-assembly of four new metal‒organic frameworks based on different phosphomolybdate clusters by altering the molar ratio of H3PO4 and Na2MoO4","CrystEngComm","2011","13","7","2479","","10.1039/c0ce00639d","","","0.71073","MoKα","","0.0358","0.0293","","","0.0779","0.0811","","","","","","1.061","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205682","11.467","0.002","12.372","0.003","16.851","0.003","70.23","0.03","81.19","0.03","88.27","0.03","2222.6","0.9","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H74 Mo10 N16 Na2 O50 P4 -","- C56 H56 Mo10 N16 Na2 O50 P4 -","- C56 H56 Mo10 N16 Na2 O50 P4 -","1","0.5","","Meng, Jing-Xin; Lu, Ying; Li, Yang-Guang; Fu, Hai; Wang, En-Bo","Controllable self-assembly of four new metal–organic frameworks based on different phosphomolybdate clusters by altering the molar ratio of H3PO4 and Na2MoO4","CrystEngComm","2011","13","7","2479","","10.1039/c0ce00639d","","","0.71073","MoKα","","0.0703","0.0478","","","0.1225","0.1408","","","","","","1.088","","","","has coordinates","291143","2024-04-09","08:49:14",""
"7205683","12.578","0.003","15.148","0.003","16.389","0.003","95.96","0.03","110.13","0.03","102.95","0.03","2800.9","1.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H52 Cd Mo6 N8 O38 P4 -","- C28 H28 Cd Mo6 N8 O38 P4 -","- C56 H56 Cd2 Mo12 N16 O76 P8 -","2","1","","Meng, Jing-Xin; Lu, Ying; Li, Yang-Guang; Fu, Hai; Wang, En-Bo","Controllable self-assembly of four new metal‒organic frameworks based on different phosphomolybdate clusters by altering the molar ratio of H3PO4 and Na2MoO4","CrystEngComm","2011","13","7","2479","","10.1039/c0ce00639d","","","0.71073","MoKα","","0.1406","0.0789","","","0.167","0.2061","","","","","","1.058","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205684","17.11","0.002","17.11","0.002","10.74","0.002","90","","90","","90","","3144.2","0.8","150","2","150","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C6 H30 Co3 Mo4 N6 O28 P4 -","- C6 Co3 Mo4 N6 O28 P4 -","- C24 Co12 Mo16 N24 O112 P16 -","4","0.25","","Meng, Jing-Xin; Lu, Ying; Li, Yang-Guang; Fu, Hai; Wang, En-Bo","Controllable self-assembly of four new metal‒organic frameworks based on different phosphomolybdate clusters by altering the molar ratio of H3PO4 and Na2MoO4","CrystEngComm","2011","13","7","2479","","10.1039/c0ce00639d","","","0.71073","MoKα","","0.0408","0.0358","","","0.0927","0.0951","","","","","","1.144","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205685","6.9147","0.0005","36.1972","0.0011","9.4766","0.0008","90","","92.126","0.003","90","","2370.3","0.3","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H30 N2 O5 -","- C27 H30 N2 O5 -","- C108 H120 N8 O20 -","4","2","","Khan, Mujeeb; Enkelmann, Volker; Brunklaus, Gunther","Heterosynthon mediated tailored synthesis of pharmaceutical complexes: a solid-state NMR approach","CrystEngComm","2011","13","9","3213","","10.1039/c0ce00657b","","","0.71073","MoKα","","0.0749","0.0748","","0.0816","0.0806","0.0806","","","","","","0.94","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205686","12.4485","0.0007","12.3314","0.0006","17.4418","0.0009","90","","94.389","0.001","90","","2669.6","0.2","185","2","185","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H28 Cd N4 O4 -","- C28 H28 Cd N4 O4 -","- C112 H112 Cd4 N16 O16 -","4","1","","Su, Shengqun; Qin, Chao; Guo, Zhiyong; Guo, Huadong; Song, Shuyan; Deng, Ruiping; Cao, Feng; Wang, Song; Li, Guanghua; Zhang, Hongjie","Five three/two-fold interpenetrating architectures from self-assembly of fluorene-2,7-dicarboxylic acid derivatives and d10 metals","CrystEngComm","2011","13","8","2935","","10.1039/c0ce00662a","","","0.71073","MoKα","","0.067","0.0462","","","0.114","0.1266","","","","","","1.035","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205687","12.5219","0.0007","12.2292","0.0007","17.7853","0.001","90","","96.421","0.001","90","","2706.4","0.3","185","2","185","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H32 Cd N4 O4 -","- C30 H32 Cd N4 O4 -","- C120 H128 Cd4 N16 O16 -","4","1","","Su, Shengqun; Qin, Chao; Guo, Zhiyong; Guo, Huadong; Song, Shuyan; Deng, Ruiping; Cao, Feng; Wang, Song; Li, Guanghua; Zhang, Hongjie","Five three/two-fold interpenetrating architectures from self-assembly of fluorene-2,7-dicarboxylic acid derivatives and d10 metals","CrystEngComm","2011","13","8","2935","","10.1039/c0ce00662a","","","0.71073","MoKα","","0.083","0.0485","","","0.1086","0.1239","","","","","","1.022","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205688","8.7713","0.0008","18.1647","0.0016","15.8994","0.0014","90","","90.0041","","90","","2533.2","0.4","185","2","185","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H43 N5 O10 Zn2 -","- C49 H41 N5 O9.4 Zn2 -","- C98 H82 N10 O18.8 Zn4 -","2","0.5","","Su, Shengqun; Qin, Chao; Guo, Zhiyong; Guo, Huadong; Song, Shuyan; Deng, Ruiping; Cao, Feng; Wang, Song; Li, Guanghua; Zhang, Hongjie","Five three/two-fold interpenetrating architectures from self-assembly of fluorene-2,7-dicarboxylic acid derivatives and d10 metals","CrystEngComm","2011","13","8","2935","","10.1039/c0ce00662a","","","0.71073","MoKα","","0.0693","0.0528","","","0.148","0.1609","","","","","","1.09","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205689","15.3836","0.0007","21.5307","0.001","15.7987","0.0007","90","","96.401","0.001","90","","5200.2","0.4","185","2","185","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C50.75 H43.75 N4.25 O8.25 Zn2 -","- C50.75 H42 N4.25 O8.26 Zn2 -","- C203 H168 N17 O33.04 Zn8 -","4","0.5","","Su, Shengqun; Qin, Chao; Guo, Zhiyong; Guo, Huadong; Song, Shuyan; Deng, Ruiping; Cao, Feng; Wang, Song; Li, Guanghua; Zhang, Hongjie","Five three/two-fold interpenetrating architectures from self-assembly of fluorene-2,7-dicarboxylic acid derivatives and d10 metals","CrystEngComm","2011","13","8","2935","","10.1039/c0ce00662a","","","0.71073","MoKα","","0.0643","0.0511","","","0.1763","0.1861","","","","","","1.138","","","","has coordinates,has disorder","180387","2020-10-21","18:00:00",""
"7205690","15.9388","0.0011","28.52","0.002","16.1837","0.0011","90","","105.714","0.001","90","","7081.7","0.8","185","2","185","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C61 H53 Cd2 N9 O10 -","- C61 H44 Cd2 N9 O10 -","- C244 H176 Cd8 N36 O40 -","4","1","","Su, Shengqun; Qin, Chao; Guo, Zhiyong; Guo, Huadong; Song, Shuyan; Deng, Ruiping; Cao, Feng; Wang, Song; Li, Guanghua; Zhang, Hongjie","Five three/two-fold interpenetrating architectures from self-assembly of fluorene-2,7-dicarboxylic acid derivatives and d10 metals","CrystEngComm","2011","13","8","2935","","10.1039/c0ce00662a","","","0.71073","MoKα","","0.1599","0.0812","","","0.2564","0.3021","","","","","","1.062","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205691","14.7266","0.0006","7.6637","0.0003","16.2667","0.0007","90","","105.323","0.004","90","","1770.6","0.13","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H11 N3 S -","- C8 H11 N3 S -","- C64 H88 N24 S8 -","8","2","","Lenthall, Joseph T.; Foster, Jonathan A.; Anderson, Kirsty M.; Probert, Michael R.; Howard, Judith A. K.; Steed, Jonathan W.","Hydrogen bonding interactions with the thiocarbonyl π-system","CrystEngComm","2011","13","9","3202","","10.1039/c0ce00680g","","","0.7107","MoKα","","0.062","0.0531","","","0.1373","0.1486","","","","","","1.064","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205692","10.6285","0.0004","9.7517","0.0004","12.8232","0.0005","90","","109.712","0.001","90","","1251.19","0.09","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H17 N3 S -","- C11 H17 N3 S -","- C44 H68 N12 S4 -","4","1","","Lenthall, Joseph T.; Foster, Jonathan A.; Anderson, Kirsty M.; Probert, Michael R.; Howard, Judith A. K.; Steed, Jonathan W.","Hydrogen bonding interactions with the thiocarbonyl π-system","CrystEngComm","2011","13","9","3202","","10.1039/c0ce00680g","","","0.71073","MoKα","","0.0494","0.0373","","","0.0922","0.0982","","","","","","1.042","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205693","9.5098","0.0005","9.5098","0.0005","10.8333","0.0007","90","","90","","90","","979.72","0.1","200","","200","","","","","","","","","4","P 42/n","-P 4bc","86","","","","- C6 H14 N4 S2 -","- C6 H14 N4 S2 -","- C24 H56 N16 S8 -","4","","","Lenthall, Joseph T.; Foster, Jonathan A.; Anderson, Kirsty M.; Probert, Michael R.; Howard, Judith A. K.; Steed, Jonathan W.","Hydrogen bonding interactions with the thiocarbonyl π-system","CrystEngComm","2011","13","9","3202","","10.1039/c0ce00680g","","x-ray","0.71073","MoKα","K-L~3~","0.0514","0.0296","","","0.0625","0.0685","","","","","","0.921","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205694","18.0632","0.0008","7.5649","0.0003","19.4089","0.0008","90","","116.084","0.001","90","","2382.03","0.17","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H14 N4 S2 -","- C10 H14 N4 S2 -","- C80 H112 N32 S16 -","8","1","","Lenthall, Joseph T.; Foster, Jonathan A.; Anderson, Kirsty M.; Probert, Michael R.; Howard, Judith A. K.; Steed, Jonathan W.","Hydrogen bonding interactions with the thiocarbonyl π-system","CrystEngComm","2011","13","9","3202","","10.1039/c0ce00680g","","","0.71073","MoKα","","0.0366","0.0296","","","0.0735","0.0769","","","","","","1.054","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205695","9.4599","0.0006","9.5946","0.0006","11.0971","0.0007","78.984","0.001","66.485","0.001","65.045","0.001","837.03","0.09","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H22 N4 S2 -","- C14 H22 N4 S2 -","- C28 H44 N8 S4 -","2","1","","Lenthall, Joseph T.; Foster, Jonathan A.; Anderson, Kirsty M.; Probert, Michael R.; Howard, Judith A. K.; Steed, Jonathan W.","Hydrogen bonding interactions with the thiocarbonyl π-system","CrystEngComm","2011","13","9","3202","","10.1039/c0ce00680g","","","0.71073","MoKα","","0.0531","0.0392","","","0.0918","0.0986","","","","","","1.018","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205696","5.798","0.002","9.447","0.004","11.167","0.004","87.646","0.007","75.043","0.006","75.422","0.006","571.7","0.4","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C9 H13 N5 S2 -","- C9 H13 N5 S2 -","- C18 H26 N10 S4 -","2","1","","Lenthall, Joseph T.; Foster, Jonathan A.; Anderson, Kirsty M.; Probert, Michael R.; Howard, Judith A. K.; Steed, Jonathan W.","Hydrogen bonding interactions with the thiocarbonyl π-system","CrystEngComm","2011","13","9","3202","","10.1039/c0ce00680g","","x-ray","0.71073","MoKα","K-L~3~","0.0592","0.045","","","0.1149","0.1207","","","","","","1.07","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205697","19.249","0.004","7.6441","0.0015","26.522","0.005","90","","90","","90","","3902.5","1.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C38 H26 Mn2 N8 O16 -","- C38 H26 Mn2 N8 O16 -","- C152 H104 Mn8 N32 O64 -","4","0.5","","Li, Baiyan; Zhang, Yiming; Li, Guanghua; Liu, Dan; Chen, Yan; Hu, Weiwei; Shi, Zhan; Feng, Shouhua","Design and construction of coordination polymers by 2,2′-dinitro-4,4′-biphenyldicarboxylate and imidazole-based ligands: diverse structures based on different metal ions","CrystEngComm","2011","13","7","2457","","10.1039/c0ce00682c","","","0.71073","MoKα","","0.0674","0.0508","","","0.1018","0.1086","","","","","","1.04","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205698","12.405","0.003","14.088","0.003","15.765","0.003","63.53","0.03","72.82","0.03","68.38","0.03","2264.1","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H37 Co2 N10 O18 -","- C43 H37 Co2 N10 O18 -","- C86 H74 Co4 N20 O36 -","2","1","","Li, Baiyan; Zhang, Yiming; Li, Guanghua; Liu, Dan; Chen, Yan; Hu, Weiwei; Shi, Zhan; Feng, Shouhua","Design and construction of coordination polymers by 2,2′-dinitro-4,4′-biphenyldicarboxylate and imidazole-based ligands: diverse structures based on different metal ions","CrystEngComm","2011","13","7","2457","","10.1039/c0ce00682c","","","0.71073","MoKα","","0.0967","0.0619","","","0.1423","0.1609","","","","","","1.026","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205699","12.7703","0.0007","14.1255","0.0008","15.8443","0.0009","116.321","0.003","90.408","0.004","111.164","0.003","2340.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H37 N10 Ni2 O18 -","- C43 H33 N10 Ni2 O18 -","- C86 H66 N20 Ni4 O36 -","2","1","","Li, Baiyan; Zhang, Yiming; Li, Guanghua; Liu, Dan; Chen, Yan; Hu, Weiwei; Shi, Zhan; Feng, Shouhua","Design and construction of coordination polymers by 2,2′-dinitro-4,4′-biphenyldicarboxylate and imidazole-based ligands: diverse structures based on different metal ions","CrystEngComm","2011","13","7","2457","","10.1039/c0ce00682c","","","0.71073","MoKα","","0.1323","0.0658","","","0.1673","0.1989","","","","","","0.936","","","","has coordinates,has disorder","180387","2020-10-21","18:00:00",""
"7205700","8.2565","0.0017","10.422","0.002","23.99","0.005","90","","96.68","0.03","90","","2050.3","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Cu3 N8 O18 -","- C38 H28 Cu3 N8 O18 -","- C76 H56 Cu6 N16 O36 -","2","0.5","","Li, Baiyan; Zhang, Yiming; Li, Guanghua; Liu, Dan; Chen, Yan; Hu, Weiwei; Shi, Zhan; Feng, Shouhua","Design and construction of coordination polymers by 2,2′-dinitro-4,4′-biphenyldicarboxylate and imidazole-based ligands: diverse structures based on different metal ions","CrystEngComm","2011","13","7","2457","","10.1039/c0ce00682c","","","0.71073","MoKα","","0.0937","0.0603","","","0.1484","0.164","","","","","","1.034","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205701","19.237","0.004","7.5997","0.0015","26.035","0.005","90","","90","","90","","3806.2","1.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C38 H26 N8 O16 Zn2 -","- C38 H26 N8 O16 Zn2 -","- C152 H104 N32 O64 Zn8 -","4","0.5","","Li, Baiyan; Zhang, Yiming; Li, Guanghua; Liu, Dan; Chen, Yan; Hu, Weiwei; Shi, Zhan; Feng, Shouhua","Design and construction of coordination polymers by 2,2′-dinitro-4,4′-biphenyldicarboxylate and imidazole-based ligands: diverse structures based on different metal ions","CrystEngComm","2011","13","7","2457","","10.1039/c0ce00682c","","","0.71073","MoKα","","0.0715","0.0476","","","0.0941","0.1019","","","","","","1.037","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205702","7.7464","0.0005","10.6554","0.0008","25.6955","0.0019","88.419","0.004","88.034","0.004","77.623","0.004","2070","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H28 Cd2 N8 O17 -","- C38 H24 Cd2 N7.65 O16.3 -","- C76 H48 Cd4 N15.3 O32.6 -","2","1","","Li, Baiyan; Zhang, Yiming; Li, Guanghua; Liu, Dan; Chen, Yan; Hu, Weiwei; Shi, Zhan; Feng, Shouhua","Design and construction of coordination polymers by 2,2′-dinitro-4,4′-biphenyldicarboxylate and imidazole-based ligands: diverse structures based on different metal ions","CrystEngComm","2011","13","7","2457","","10.1039/c0ce00682c","","","0.71073","MoKα","","0.1393","0.0649","","","0.137","0.1642","","","","","","0.912","","","","has coordinates,has disorder","180388","2020-10-21","18:00:00",""
"7205703","8.792","0.005","21.509","0.012","7.436","0.004","90","","103.882","0.007","90","","1365.1","1.3","291","2","291","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C10 H14 Cu I S2 -","- C10 H14 Cu I S2 -","- C40 H56 Cu4 I4 S8 -","4","0.5","","Zhang, Jun; Xue, Yun-Shan; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng","Cuprous iodide coordination polymers (CuI)x(L)y·z(solvent) built on linear thioether linkers","CrystEngComm","2011","13","7","2578","","10.1039/c0ce00685h","","","0.71073","MoKα","","0.0649","0.0516","","","0.1233","0.1266","","","","","","1.05","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205704","11.1804","0.0009","17.3956","0.0014","25.706","0.002","107.456","0.001","90.016","0.002","95.251","0.001","4747.3","0.7","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H84 Cu12 I12 S12 -","- C60 H84 Cu12 I12 S12 -","- C120 H168 Cu24 I24 S24 -","2","1","","Zhang, Jun; Xue, Yun-Shan; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng","Cuprous iodide coordination polymers (CuI)x(L)y·z(solvent) built on linear thioether linkers","CrystEngComm","2011","13","7","2578","","10.1039/c0ce00685h","","","0.71073","MoKα","","0.0804","0.0597","","","0.1428","0.1489","","","","","","1.023","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205705","24.998","0.006","8.734","0.002","22.402","0.006","90","","101.507","0.002","90","","4793","2","291","2","291","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38 H49 Cu2 I2 N O S4 -","- C38 H49 Cu2 I2 N O S4 -","- C152 H196 Cu8 I8 N4 O4 S16 -","4","0.5","","Zhang, Jun; Xue, Yun-Shan; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng","Cuprous iodide coordination polymers (CuI)x(L)y·z(solvent) built on linear thioether linkers","CrystEngComm","2011","13","7","2578","","10.1039/c0ce00685h","","","0.71073","MoKα","","0.0701","0.0492","","","0.1013","0.1047","","","","","","1.081","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205706","16.665","0.0005","16.665","0.0005","57.781","0.008","90","","90","","120","","13897","2","291","2","291","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C27 H35 Cu4 I4 O S3 -","- C27 H34.98 Cu4 I4 O S3 -","- C324 H419.76 Cu48 I48 O12 S36 -","12","0.333333","","Zhang, Jun; Xue, Yun-Shan; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng","Cuprous iodide coordination polymers (CuI)x(L)y·z(solvent) built on linear thioether linkers","CrystEngComm","2011","13","7","2578","","10.1039/c0ce00685h","","","0.71073","MoKα","","0.0775","0.0481","","","0.1161","0.1226","","","","","","1.005","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205707","14.33","0.005","13.962","0.005","17.424","0.006","90","","98.347","0.004","90","","3449","2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H12 N2 O5 P Zn1.5 -","- C17 H12 N2 O5 P Zn1.5 -","- C136 H96 N16 O40 P8 Zn12 -","8","1","","Chen, Zhenxia; Ling, Yun; Yang, Haiyang; Guo, Yufen; Weng, Linhong; Zhou, Yaming","Two-step synthesis, structure and adsorption property of a dynamic zinc phosphonocarboxylate framework","CrystEngComm","2011","13","10","3378","","10.1039/c0ce00687d","","","0.71073","MoKα","","0.0344","0.0276","","","0.0685","0.0708","","","","","","0.978","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205708","17.804","0.006","19.34","0.012","10.242","0.007","90","","119.51","0.05","90","","3069","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H9.5 N0.5 O5.5 P Zn -","- C8 H8 N0.5 O5.5 P Zn -","- C64 H64 N4 O44 P8 Zn8 -","8","1","","Chen, Zhenxia; Ling, Yun; Yang, Haiyang; Guo, Yufen; Weng, Linhong; Zhou, Yaming","Two-step synthesis, structure and adsorption property of a dynamic zinc phosphonocarboxylate framework","CrystEngComm","2011","13","10","3378","","10.1039/c0ce00687d","","","0.71073","MoKα","","0.0817","0.0695","","","0.1991","0.2115","","","","","","1.08","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205709","18.372","0.008","19.143","0.008","10.534","0.005","90","","124.353","0.01","90","","3059","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10.5 H19.5 N1.5 O7.5 P Zn -","- C10.5 H16 N1.5 O7.5 P Zn -","- C84 H128 N12 O60 P8 Zn8 -","8","1","","Chen, Zhenxia; Ling, Yun; Yang, Haiyang; Guo, Yufen; Weng, Linhong; Zhou, Yaming","Two-step synthesis, structure and adsorption property of a dynamic zinc phosphonocarboxylate framework","CrystEngComm","2011","13","10","3378","","10.1039/c0ce00687d","","","0.71073","MoKα","","0.0537","0.0408","","","0.1098","0.1204","","","","","","1.07","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205710","6.3597","0.0002","8.6865","0.0002","11.2216","0.0003","69.182","0.001","89.501","0.001","81.866","0.001","573.04","0.03","293","2","293","2","","","","","","","","5","P -1","-P 1","2","1,4-DIIODOTETRAFLUOROBENZENE - 1,4-DITHIANE 2/1","1,4-DIIODOTETRAFLUOROBENZENE - 1,4-DITHIANE 2/1","","- C16 H8 F8 I4 S2 -","- C16 H8 F8 I4 S2 -","- C16 H8 F8 I4 S2 -","1","0.5","","Cinčić, Dominik; Friščić, Tomislav; Jones, William","Experimental and database studies of three-centered halogen bonds with bifurcated acceptors present in molecular crystals, cocrystals and salts","CrystEngComm","2011","13","9","3224","","10.1039/c0ce00699h","","","0.71073","MoKα","","0.052","0.0368","","","0.0893","0.1017","","","","","","1.062","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205711","9.3792","0.0001","13.262","0.0002","20.959","0.0004","74.809","0.001","88.358","0.001","78.396","0.001","2463.71","0.07","180","2","180","2","","","","","","","","5","P -1","-P 1","2","acridine:tetrafluoro-1,2-diiodobenzene 7/4","acridine:tetrafluoro-1,2-diiodobenzene 7/4","","- C115 H63 F16 I8 N7 -","- C115 H63 F16 I8 N7 -","- C115 H63 F16 I8 N7 -","1","0.5","","Cinčić, Dominik; Friščić, Tomislav; Jones, William","Experimental and database studies of three-centered halogen bonds with bifurcated acceptors present in molecular crystals, cocrystals and salts","CrystEngComm","2011","13","9","3224","","10.1039/c0ce00699h","","","0.71073","MoKα","","0.0829","0.0438","","","0.0805","0.0923","","","","","","1.013","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205712","14.3077","0.0003","7.6892","0.0002","20.0916","0.0004","90","","125.881","0.001","90","","1790.92","0.07","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","phenazine:tetrafluoro-1,2-diiodobenzene 1/1","phenazine:tetrafluoro-1,2-diiodobenzene 1/1","","- C18 H8 F4 I2 N2 -","- C18 H8 F4 I2 N2 -","- C72 H32 F16 I8 N8 -","4","1","","Cinčić, Dominik; Friščić, Tomislav; Jones, William","Experimental and database studies of three-centered halogen bonds with bifurcated acceptors present in molecular crystals, cocrystals and salts","CrystEngComm","2011","13","9","3224","","10.1039/c0ce00699h","","","0.71073","MoKα","","0.0766","0.0412","","","0.104","0.1259","","","","","","1.081","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205713","15.8642","0.0002","8.3329","0.0001","18.4437","0.0003","90","","106.542","0.001","90","","2337.25","0.06","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","triphenylphosphine oxide:1,4-diiodotetrafluorobenzene 1:1","triphenylphosphine oxide:1,4-diiodotetrafluorobenzene 1:1","","- C24 H15 F4 I2 O P -","- C24 H15 F4 I2 O P -","- C96 H60 F16 I8 O4 P4 -","4","1","","Cinčić, Dominik; Friščić, Tomislav; Jones, William","Experimental and database studies of three-centered halogen bonds with bifurcated acceptors present in molecular crystals, cocrystals and salts","CrystEngComm","2011","13","9","3224","","10.1039/c0ce00699h","","","0.71073","MoKα","","0.0694","0.0381","","","0.0709","0.0801","","","","","","1.027","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205714","10.9742","0.0003","11.196","0.0003","32.3795","0.0009","90","","90","","90","","3978.38","0.19","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H55 N5 O8 -","- C34 H55 N5 O8 -","- C136 H220 N20 O32 -","4","1","","Maity, Sibaprasad; Jana, Poulami; Haldar, Debasish","Fabrication of nanoporous material from a hydrophobic peptide","CrystEngComm","2011","13","8","3064","","10.1039/c0ce00701c","","","0.71073","MoKα","","0.1031","0.0474","","","0.1447","0.2078","","","","","","0.814","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205715","8.597","0.0008","9.2441","0.0009","11.8821","0.0012","103.269","0.002","102.055","0.002","95.831","0.002","887.65","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H34 Cu N14 O9 -","- C24 H28 Cu N14 O9 -","- C24 H28 Cu N14 O9 -","1","0.5","","Lee, Chin-Fen; Hsu, Shu-Chun; Chan, Kai-Chao; Nurnabi, Mohammad; Lee, Chung-Chou; Wu, Jing-Yun; Lai, Long-Li; Lu, Kuang-Lieh","Self-adaptation of a conformationally flexible yet restricted “piperazine-pyrazine” building block toward the design of coordination polymers","CrystEngComm","2011","13","8","2960","","10.1039/c0ce00703j","","","0.71073","MoKα","","0.0854","0.066","","","0.2278","0.233","","","","","","1.076","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205716","21.6393","0.0006","13.1753","0.0003","12.3516","0.0003","90","","92.557","0.001","90","","3517.99","0.15","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C29 H38 Cl2 Co N14 O2 S2 -","- C29 H28 Cl2 Co N14 O2 S2 -","- C116 H112 Cl8 Co4 N56 O8 S8 -","4","0.5","","Lee, Chin-Fen; Hsu, Shu-Chun; Chan, Kai-Chao; Nurnabi, Mohammad; Lee, Chung-Chou; Wu, Jing-Yun; Lai, Long-Li; Lu, Kuang-Lieh","Self-adaptation of a conformationally flexible yet restricted “piperazine-pyrazine” building block toward the design of coordination polymers","CrystEngComm","2011","13","8","2960","","10.1039/c0ce00703j","","","0.71073","MoKα","","0.0705","0.0631","","","0.1964","0.2066","","","","","","1.12","","","","has coordinates,has disorder","180388","2020-10-21","18:00:00",""
"7205717","22.065","0.005","13.166","0.003","12.255","0.002","90","","92.379","0.005","90","","3557.1","1.3","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 N14 Ni S2 -","- C26 H28 N14 Ni S2 -","- C104 H112 N56 Ni4 S8 -","4","0.5","","Lee, Chin-Fen; Hsu, Shu-Chun; Chan, Kai-Chao; Nurnabi, Mohammad; Lee, Chung-Chou; Wu, Jing-Yun; Lai, Long-Li; Lu, Kuang-Lieh","Self-adaptation of a conformationally flexible yet restricted “piperazine-pyrazine” building block toward the design of coordination polymers","CrystEngComm","2011","13","8","2960","","10.1039/c0ce00703j","","","0.71073","MoKα","","0.0916","0.0577","","","0.1611","0.1776","","","","","","0.954","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205718","8.2524","0.0003","9.4588","0.0003","13.392","0.0004","94.799","0.001","102.386","0.001","109.501","0.001","948.66","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H42 N20 Ni O6 -","- C36 H42 N20 Ni O6 -","- C36 H42 N20 Ni O6 -","1","0.5","","Lee, Chin-Fen; Hsu, Shu-Chun; Chan, Kai-Chao; Nurnabi, Mohammad; Lee, Chung-Chou; Wu, Jing-Yun; Lai, Long-Li; Lu, Kuang-Lieh","Self-adaptation of a conformationally flexible yet restricted “piperazine-pyrazine” building block toward the design of coordination polymers","CrystEngComm","2011","13","8","2960","","10.1039/c0ce00703j","","","0.71073","MoKα","","0.0523","0.039","","","0.1124","0.1171","","","","","","0.686","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205719","8.718","0.0002","10.228","0.0002","13.392","0.0003","107.593","0.001","95.645","0.001","111.992","0.001","1024.78","0.04","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H42 Cd Cl2 N18 O8 -","- C36 H42 Cd Cl2 N18 O8 -","- C36 H42 Cd Cl2 N18 O8 -","1","0.5","","Lee, Chin-Fen; Hsu, Shu-Chun; Chan, Kai-Chao; Nurnabi, Mohammad; Lee, Chung-Chou; Wu, Jing-Yun; Lai, Long-Li; Lu, Kuang-Lieh","Self-adaptation of a conformationally flexible yet restricted “piperazine-pyrazine” building block toward the design of coordination polymers","CrystEngComm","2011","13","8","2960","","10.1039/c0ce00703j","","","0.71073","MoKα","","0.0395","0.0319","","","0.0849","0.1078","","","","","","1.231","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205720","10.3434","0.0002","10.5131","0.0002","13.7616","0.0004","85.273","0.001","73.301","0.001","67.728","0.001","1325.82","0.05","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H56 Cd2 N18 O11 -","- C52 H56 Cd2 N18 O11 -","- C52 H56 Cd2 N18 O11 -","1","0.5","","Lee, Chin-Fen; Hsu, Shu-Chun; Chan, Kai-Chao; Nurnabi, Mohammad; Lee, Chung-Chou; Wu, Jing-Yun; Lai, Long-Li; Lu, Kuang-Lieh","Self-adaptation of a conformationally flexible yet restricted “piperazine-pyrazine” building block toward the design of coordination polymers","CrystEngComm","2011","13","8","2960","","10.1039/c0ce00703j","","","0.71073","MoKα","","0.0414","0.0355","","","0.099","0.1056","","","","","","0.98","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205721","7.4983","0.0015","8.6759","0.0017","9.793","0.002","82.62","0.03","67.51","0.03","84.25","0.03","582.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H16 Cd2 N6 O8 -","- C22 H16 Cd2 N6 O8 -","- C22 H16 Cd2 N6 O8 -","1","0.5","","Lee, Chin-Fen; Hsu, Shu-Chun; Chan, Kai-Chao; Nurnabi, Mohammad; Lee, Chung-Chou; Wu, Jing-Yun; Lai, Long-Li; Lu, Kuang-Lieh","Self-adaptation of a conformationally flexible yet restricted “piperazine-pyrazine” building block toward the design of coordination polymers","CrystEngComm","2011","13","8","2960","","10.1039/c0ce00703j","","","0.71073","MoKα","","0.0516","0.0347","","","0.0713","0.0748","","","","","","1.005","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205722","6.2301","0.0012","8.6277","0.0017","8.961","0.0018","110.7","0.03","110.27","0.03","91.49","0.03","416.6","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H10 Eu2 O16 -","- C12 H10 Eu2 O16 -","- C12 H10 Eu2 O16 -","1","0.5","","Hou, Ke-Ling; Bai, Feng-Ying; Xing, Yong-Heng; Wang, Jian-Ling; Shi, Zhan","A novel family of 3D photoluminescent lanthanide‒bta‒flexible MOFs constructed from 1,2,4,5-benzenetetracarboxylic acid and different spanning of dicarboxylate acid ligands","CrystEngComm","2011","13","11","3884","","10.1039/c0ce00707b","","","0.71073","MoKα","","0.0164","0.0155","","","0.035","0.0352","","","","","","1.111","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205723","6.2071","0.0008","8.5862","0.0018","8.8891","0.0011","110.938","0.002","110.025","0.002","91.761","0.002","409.34","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H10 Dy2 O16 -","- C12 H10 Dy2 O16 -","- C12 H10 Dy2 O16 -","1","0.5","","Hou, Ke-Ling; Bai, Feng-Ying; Xing, Yong-Heng; Wang, Jian-Ling; Shi, Zhan","A novel family of 3D photoluminescent lanthanide‒bta‒flexible MOFs constructed from 1,2,4,5-benzenetetracarboxylic acid and different spanning of dicarboxylate acid ligands","CrystEngComm","2011","13","11","3884","","10.1039/c0ce00707b","","","0.71073","MoKα","","0.0295","0.0267","","","0.0658","0.0674","","","","","","1.12","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205724","6.1931","0.0012","8.5776","0.0017","8.8684","0.0018","111.03","0.03","109.97","0.03","91.82","0.03","406.8","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H10 Ho2 O16 -","- C12 H10 Ho2 O16 -","- C12 H10 Ho2 O16 -","1","0.5","","Hou, Ke-Ling; Bai, Feng-Ying; Xing, Yong-Heng; Wang, Jian-Ling; Shi, Zhan","A novel family of 3D photoluminescent lanthanide‒bta‒flexible MOFs constructed from 1,2,4,5-benzenetetracarboxylic acid and different spanning of dicarboxylate acid ligands","CrystEngComm","2011","13","11","3884","","10.1039/c0ce00707b","","","0.71073","MoKα","","0.0179","0.0173","","","0.0445","0.0447","","","","","","1.237","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205725","18.833","0.003","7.7766","0.0012","14.755","0.002","90","","113.696","0.002","90","","1978.8","0.5","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H18 O17 Tb2 -","- C15 H16 O17 Tb2 -","- C60 H64 O68 Tb8 -","4","0.5","","Hou, Ke-Ling; Bai, Feng-Ying; Xing, Yong-Heng; Wang, Jian-Ling; Shi, Zhan","A novel family of 3D photoluminescent lanthanide‒bta‒flexible MOFs constructed from 1,2,4,5-benzenetetracarboxylic acid and different spanning of dicarboxylate acid ligands","CrystEngComm","2011","13","11","3884","","10.1039/c0ce00707b","","","0.71073","MoKα","","0.0287","0.0232","","","0.0477","0.0495","","","","","","1.054","","","","has coordinates,has disorder","180388","2020-10-21","18:00:00",""
"7205726","18.805","0.004","7.7577","0.0016","14.724","0.003","90","","113.7","0.03","90","","1966.8","0.8","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H18 Dy2 O17 -","- C15 H16 Dy2 O17 -","- C60 H64 Dy8 O68 -","4","0.5","","Hou, Ke-Ling; Bai, Feng-Ying; Xing, Yong-Heng; Wang, Jian-Ling; Shi, Zhan","A novel family of 3D photoluminescent lanthanide‒bta‒flexible MOFs constructed from 1,2,4,5-benzenetetracarboxylic acid and different spanning of dicarboxylate acid ligands","CrystEngComm","2011","13","11","3884","","10.1039/c0ce00707b","","","0.71073","MoKα","","0.0192","0.0175","","","0.0377","0.0382","","","","","","1.083","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205727","18.7825","0.0018","7.7434","0.0008","14.6995","0.0014","90","","113.777","0.001","90","","1956.4","0.3","273","2","273","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H18 Ho2 O17 -","- C15 H16 Ho2 O17 -","- C60 H64 Ho8 O68 -","4","0.5","","Hou, Ke-Ling; Bai, Feng-Ying; Xing, Yong-Heng; Wang, Jian-Ling; Shi, Zhan","A novel family of 3D photoluminescent lanthanide‒bta‒flexible MOFs constructed from 1,2,4,5-benzenetetracarboxylic acid and different spanning of dicarboxylate acid ligands","CrystEngComm","2011","13","11","3884","","10.1039/c0ce00707b","","","0.71073","MoKα","","0.0211","0.0187","","","0.0412","0.0421","","","","","","1.073","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205728","7.774","0.001","7.2219","0.001","17.336","0.002","90","","91.54","0.002","90","","972.9","0.2","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 O14 Tb2 -","- C16 H14 O14 Tb2 -","- C32 H28 O28 Tb4 -","2","0.5","","Hou, Ke-Ling; Bai, Feng-Ying; Xing, Yong-Heng; Wang, Jian-Ling; Shi, Zhan","A novel family of 3D photoluminescent lanthanide‒bta‒flexible MOFs constructed from 1,2,4,5-benzenetetracarboxylic acid and different spanning of dicarboxylate acid ligands","CrystEngComm","2011","13","11","3884","","10.1039/c0ce00707b","","","0.71073","MoKα","","0.0222","0.0187","","","0.0409","0.0422","","","","","","1.046","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205729","7.7489","0.0008","7.1601","0.0007","17.294","0.0018","90","","91.165","0.001","90","","959.32","0.17","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 Er2 O14 -","- C16 H14 Er2 O14 -","- C32 H28 Er4 O28 -","2","0.5","","Hou, Ke-Ling; Bai, Feng-Ying; Xing, Yong-Heng; Wang, Jian-Ling; Shi, Zhan","A novel family of 3D photoluminescent lanthanide‒bta‒flexible MOFs constructed from 1,2,4,5-benzenetetracarboxylic acid and different spanning of dicarboxylate acid ligands","CrystEngComm","2011","13","11","3884","","10.1039/c0ce00707b","","","0.71073","MoKα","","0.0284","0.0231","","","0.0501","0.0524","","","","","","1.063","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205730","7.7869","0.0019","7.2672","0.0018","17.37","0.004","90","","91.799","0.003","90","","982.5","0.4","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 Eu2 O14 -","- C16 H14 Eu2 O14 -","- C32 H28 Eu4 O28 -","2","0.5","","Hou, Ke-Ling; Bai, Feng-Ying; Xing, Yong-Heng; Wang, Jian-Ling; Shi, Zhan","A novel family of 3D photoluminescent lanthanide‒bta‒flexible MOFs constructed from 1,2,4,5-benzenetetracarboxylic acid and different spanning of dicarboxylate acid ligands","CrystEngComm","2011","13","11","3884","","10.1039/c0ce00707b","","","0.71073","MoKα","","0.0256","0.0214","","","0.0519","0.0539","","","","","","1.079","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205731","6.2191","0.0012","8.5786","0.0017","8.9113","0.0018","110.89","0.03","110.11","0.03","91.64","0.03","410.9","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H10 O16 Tb2 -","- C12 H10 O16 Tb2 -","- C12 H10 O16 Tb2 -","1","0.5","","Hou, Ke-Ling; Bai, Feng-Ying; Xing, Yong-Heng; Wang, Jian-Ling; Shi, Zhan","A novel family of 3D photoluminescent lanthanide‒bta‒flexible MOFs constructed from 1,2,4,5-benzenetetracarboxylic acid and different spanning of dicarboxylate acid ligands","CrystEngComm","2011","13","11","3884","","10.1039/c0ce00707b","","","0.71073","MoKα","","0.0158","0.0152","","","0.0505","0.0507","","","","","","1.332","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205732","18.886","0.004","7.8133","0.0016","14.793","0.003","90","","113.604","0.002","90","","2000.3","0.7","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H18 Eu2 O17 -","- C15 H16 Eu2 O17 -","- C60 H64 Eu8 O68 -","4","0.5","","Hou, Ke-Ling; Bai, Feng-Ying; Xing, Yong-Heng; Wang, Jian-Ling; Shi, Zhan","A novel family of 3D photoluminescent lanthanide‒bta‒flexible MOFs constructed from 1,2,4,5-benzenetetracarboxylic acid and different spanning of dicarboxylate acid ligands","CrystEngComm","2011","13","11","3884","","10.1039/c0ce00707b","","","0.71073","MoKα","","0.0224","0.0198","","","0.0444","0.0456","","","","","","1.057","","","","has coordinates,has disorder","180388","2020-10-21","18:00:00",""
"7205733","7.7659","0.0007","7.2009","0.0006","17.3199","0.0015","90","","91.452","0.001","90","","968.24","0.15","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 Dy2 O14 -","- C16 H14 Dy2 O14 -","- C32 H28 Dy4 O28 -","2","0.5","","Hou, Ke-Ling; Bai, Feng-Ying; Xing, Yong-Heng; Wang, Jian-Ling; Shi, Zhan","A novel family of 3D photoluminescent lanthanide‒bta‒flexible MOFs constructed from 1,2,4,5-benzenetetracarboxylic acid and different spanning of dicarboxylate acid ligands","CrystEngComm","2011","13","11","3884","","10.1039/c0ce00707b","","","0.71073","MoKα","","0.0225","0.019","","","0.0472","0.0491","","","","","","1.084","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205734","9.6267","0.0001","18.4669","0.0003","9.7167","0.0001","90","","113.689","0.001","90","","1581.84","0.04","173","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C25 H39 N4 O13 Zn -","- C25 H23 N4 O13 Zn -","- C50 H46 N8 O26 Zn2 -","2","0.5","","Pochodylo, Amy L.; LaDuca, Robert L.","Topological diversity in zinc coordination polymers with 5-substituted isophthalate and bis(4-pyridylmethyl)piperazine ligands","CrystEngComm","2011","13","7","2249","","10.1039/c0ce00715c","","","0.71073","MoKα","","0.08","0.063","","","0.1824","0.1961","","","","","","1.098","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205735","16.0549","0.0009","14.7739","0.0008","20.916","0.0012","90","","105.132","0.001","90","","4789.1","0.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H26 N4 O6 Zn -","- C24 H26 N4 O6 Zn -","- C192 H208 N32 O48 Zn8 -","8","1","","Pochodylo, Amy L.; LaDuca, Robert L.","Topological diversity in zinc coordination polymers with 5-substituted isophthalate and bis(4-pyridylmethyl)piperazine ligands","CrystEngComm","2011","13","7","2249","","10.1039/c0ce00715c","","","0.71073","MoKα","","0.0499","0.0451","","","0.1311","0.1402","","","","","","1.13","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205736","12.1267","0.0002","28.8702","0.0004","9.6769","0.0001","90","","93.585","0.001","90","","3381.26","0.08","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H29 Cl N6 O13 Zn2 -","- C32 H29 Cl N6 O13 Zn2 -","- C128 H116 Cl4 N24 O52 Zn8 -","4","1","","Pochodylo, Amy L.; LaDuca, Robert L.","Topological diversity in zinc coordination polymers with 5-substituted isophthalate and bis(4-pyridylmethyl)piperazine ligands","CrystEngComm","2011","13","7","2249","","10.1039/c0ce00715c","","","0.71073","MoKα","","0.0384","0.0305","","","0.0749","0.0788","","","","","","1.03","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205737","9.4905","0.0005","12.112","0.0006","23.4975","0.0012","93.066","0.001","90.284","0.001","110.117","0.001","2531.8","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H84 N18 O38 Zn5 -","- C96 H84 N18 O38 Zn5 -","- C96 H84 N18 O38 Zn5 -","1","0.5","","Pochodylo, Amy L.; LaDuca, Robert L.","Topological diversity in zinc coordination polymers with 5-substituted isophthalate and bis(4-pyridylmethyl)piperazine ligands","CrystEngComm","2011","13","7","2249","","10.1039/c0ce00715c","","","0.71073","MoKα","","0.0389","0.0288","","","0.0675","0.0716","","","","","","1.027","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205738","11.561","0.005","11.515","0.005","14.717","0.006","90","","94.955","0.004","90","","1951.9","1.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 N2 O4 Zn -","- C20 H22 N2 O4 Zn -","- C80 H88 N8 O16 Zn4 -","4","1","","Pochodylo, Amy L.; LaDuca, Robert L.","Topological diversity in zinc coordination polymers with 5-substituted isophthalate and bis(4-pyridylmethyl)piperazine ligands","CrystEngComm","2011","13","7","2249","","10.1039/c0ce00715c","","","0.71073","MoKα","","0.0592","0.0487","","","0.1251","0.1317","","","","","","1.106","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205739","9.8561","0.0007","11.9538","0.0009","22.8463","0.0016","90","","95.506","0.001","90","","2679.3","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H32 N4 O11 S Zn -","- C24 H24 N4 O11 S Zn -","- C96 H96 N16 O44 S4 Zn4 -","4","1","","Pochodylo, Amy L.; LaDuca, Robert L.","Topological diversity in zinc coordination polymers with 5-substituted isophthalate and bis(4-pyridylmethyl)piperazine ligands","CrystEngComm","2011","13","7","2249","","10.1039/c0ce00715c","","","0.71073","MoKα","","0.0498","0.0462","","","0.132","0.1356","","","","","","1.096","","","","has coordinates,has disorder","180388","2020-10-21","18:00:00",""
"7205740","11.334","0.002","9.0242","0.0018","21.631","0.004","90","","95.38","0.03","90","","2202.7","0.7","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 Cd2 N8 O14 S2 -","- C36 H48 Cd2 N8 O14 S2 -","- C72 H96 Cd4 N16 O28 S4 -","2","0.5","","Deng, Zhao-Peng; Huo, Li-Hua; Qi, Hui-Ling; Zhu, Li-Na; Zhao, Hui; Gao, Shan","Structural diversity of Zn(ii)/Cd(ii) complexes based on bis(pyridyl) ligands with a long flexible spacer: From zero-dimensional binuclear, one-dimensional chain, two-dimensional layer, to three-dimensional frameworks","CrystEngComm","2011","13","12","4218","","10.1039/c0ce00717j","","","0.71073","MoKα","","0.0436","0.0328","","","0.0782","0.0837","","","","","","1.045","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205741","12.511","0.003","9.2727","0.0019","15.981","0.003","90","","94.78","0.03","90","","1847.5","0.7","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 N4 O4 S Zn -","- C18 H18 N4 O4 S Zn -","- C72 H72 N16 O16 S4 Zn4 -","4","1","","Deng, Zhao-Peng; Huo, Li-Hua; Qi, Hui-Ling; Zhu, Li-Na; Zhao, Hui; Gao, Shan","Structural diversity of Zn(ii)/Cd(ii) complexes based on bis(pyridyl) ligands with a long flexible spacer: From zero-dimensional binuclear, one-dimensional chain, two-dimensional layer, to three-dimensional frameworks","CrystEngComm","2011","13","12","4218","","10.1039/c0ce00717j","","","0.71073","MoKα","","0.1089","0.0719","","","0.1297","0.1702","","","","","","1.028","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205742","32.354","0.006","9.855","0.002","18.599","0.004","90","","99.41","0.03","90","","5850","2","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H27 Cd N8 O6 -","- C27 H27 Cd N8 O6 -","- C216 H216 Cd8 N64 O48 -","8","1","","Deng, Zhao-Peng; Huo, Li-Hua; Qi, Hui-Ling; Zhu, Li-Na; Zhao, Hui; Gao, Shan","Structural diversity of Zn(ii)/Cd(ii) complexes based on bis(pyridyl) ligands with a long flexible spacer: From zero-dimensional binuclear, one-dimensional chain, two-dimensional layer, to three-dimensional frameworks","CrystEngComm","2011","13","12","4218","","10.1039/c0ce00717j","","","0.71073","MoKα","","0.0524","0.0415","","","0.1067","0.1128","","","","","","1.067","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205743","13.771","0.003","14.65","0.003","20.312","0.004","90","","101.59","0.03","90","","4014.3","1.5","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H17 N6 O6 Zn -","- C18 H17 N6 O6 Zn -","- C144 H136 N48 O48 Zn8 -","8","1","","Deng, Zhao-Peng; Huo, Li-Hua; Qi, Hui-Ling; Zhu, Li-Na; Zhao, Hui; Gao, Shan","Structural diversity of Zn(ii)/Cd(ii) complexes based on bis(pyridyl) ligands with a long flexible spacer: From zero-dimensional binuclear, one-dimensional chain, two-dimensional layer, to three-dimensional frameworks","CrystEngComm","2011","13","12","4218","","10.1039/c0ce00717j","","","0.71073","MoKα","","0.105","0.0596","","","0.1473","0.2098","","","","","","1.08","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205744","23.105","0.005","12.069","0.002","12.498","0.003","90","","90","","90","","3485.1","1.3","295","2","295","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C36 H36 Cd N10 O6 -","- C36 H36 Cd N10 O6 -","- C144 H144 Cd4 N40 O24 -","4","1","","Deng, Zhao-Peng; Huo, Li-Hua; Qi, Hui-Ling; Zhu, Li-Na; Zhao, Hui; Gao, Shan","Structural diversity of Zn(ii)/Cd(ii) complexes based on bis(pyridyl) ligands with a long flexible spacer: From zero-dimensional binuclear, one-dimensional chain, two-dimensional layer, to three-dimensional frameworks","CrystEngComm","2011","13","12","4218","","10.1039/c0ce00717j","","","0.71073","MoKα","","0.0289","0.0243","","","0.0574","0.0594","","","","","","1.054","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205745","10.7613","0.0015","10.7613","0.0015","16.348","0.003","90","","90","","90","","1893.2","0.5","295","2","295","2","","","","","","","","6","P -4 c 2","P -4 -2c","116","","","","- C36 H36 Cl2 N8 O8 Zn -","- C36 H36 Cl2 N8 O8 Zn -","- C72 H72 Cl4 N16 O16 Zn2 -","2","0.25","","Deng, Zhao-Peng; Huo, Li-Hua; Qi, Hui-Ling; Zhu, Li-Na; Zhao, Hui; Gao, Shan","Structural diversity of Zn(ii)/Cd(ii) complexes based on bis(pyridyl) ligands with a long flexible spacer: From zero-dimensional binuclear, one-dimensional chain, two-dimensional layer, to three-dimensional frameworks","CrystEngComm","2011","13","12","4218","","10.1039/c0ce00717j","","","0.71073","MoKα","","0.074","0.0571","","","0.1503","0.18","","","","","","1.107","","","","has coordinates,has disorder","180388","2020-10-21","18:00:00",""
"7205746","10.998","0.002","11.8","0.002","12.793","0.003","70.09","0.03","66.74","0.03","73.43","0.03","1412.1","0.6","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H58 Cd Cl2 N12 O10 -","- C54 H58 Cd Cl2 N12 O10 -","- C54 H58 Cd Cl2 N12 O10 -","1","0.5","","Deng, Zhao-Peng; Huo, Li-Hua; Qi, Hui-Ling; Zhu, Li-Na; Zhao, Hui; Gao, Shan","Structural diversity of Zn(ii)/Cd(ii) complexes based on bis(pyridyl) ligands with a long flexible spacer: From zero-dimensional binuclear, one-dimensional chain, two-dimensional layer, to three-dimensional frameworks","CrystEngComm","2011","13","12","4218","","10.1039/c0ce00717j","","","0.71073","MoKα","","0.0944","0.0685","","","0.1768","0.2128","","","","","","1.071","","","","has coordinates,has disorder","180388","2020-10-21","18:00:00",""
"7205747","18.9721","0.0007","18.9721","0.0007","20.2105","0.0013","90","","90","","90","","7274.6","0.6","296","2","296","2","","","","","","","","7","P 4/n :2","-P 4a","85","","","","- C40 H167 N30 Ni4 O101 P V36 -","- C40 H137 N30 Ni4 O101 P V36 -","- C80 H274 N60 Ni8 O202 P2 V72 -","2","0.25","","Zhang, Zhibin; Xu, Yan; Zheng, Lei; Zhu, Dunru; Song, You","{[VIV14VV4O42(H2O)][Ni(C4N3H13)(C4N3H14)]4(H2O)6}4+: a novel nanosized calix-type polyoxovanadate cation","CrystEngComm","2011","13","7","2191","","10.1039/c0ce00722f","","","0.71073","MoKα","","0.0962","0.0694","","","0.2159","0.2342","","","","","","1.053","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205748","18.8231","0.0007","18.8231","0.0007","20.332","0.0015","90","","90","","90","","7203.8","0.7","196","2","196","2","","","","","","","","7","P 4/n :2","-P 4a","85","","","","- C40 H155 N30 Ni4 O95 P V36 -","- C40 H154 N30 Ni4 O95 P V36 -","- C80 H308 N60 Ni8 O190 P2 V72 -","2","0.25","","Zhang, Zhibin; Xu, Yan; Zheng, Lei; Zhu, Dunru; Song, You","{[VIV14VV4O42(H2O)][Ni(C4N3H13)(C4N3H14)]4(H2O)6}4+: a novel nanosized calix-type polyoxovanadate cation","CrystEngComm","2011","13","7","2191","","10.1039/c0ce00722f","","","0.71073","MoKα","","0.1037","0.0698","","","0.1932","0.2045","","","","","","1.104","","","","has coordinates,has disorder","180388","2020-10-21","18:00:00",""
"7205749","10.1153","0.0008","10.1153","0.0008","8.8592","0.0014","90","","90","","120","","785.02","0.15","293","2","293","2","","","","","","","","4","R 3 m :H","R 3 -2""","160","","","","- B6 Br K3 O10 -","- B6 Br K3 O10 -","- B18 Br3 K9 O30 -","3","0.166667","","Zhang, Min; Pan, Shi-Lie; Fan, Xiao-Yun; Zhou, Zhong-Xiang; Poeppelmeier, Kenneth R.; Yang, Yun","Crystal growth and optical properties of a noncentrosymmetric haloid borate, K3B6O10Br","CrystEngComm","2011","13","8","2899","","10.1039/c0ce00725k","","","0.71073","MoKα","","0.0275","0.0273","","","0.0637","0.0639","","","","","","1.157","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205750","24.4496","0.0007","14.3595","0.0004","34.5689","0.0009","90","","92.838","0.0004","90","","12121.7","0.6","293","2","293","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C60 H94 Fe4 Mo12 N12 Na O83 P9 Sr2 -","- C60 H86 Fe4 Mo12 N12 Na O83 P9 Sr2 -","- C240 H344 Fe16 Mo48 N48 Na4 O332 P36 Sr8 -","4","0.5","","Yu, Kai; Chen, Wei-Lin; Zhou, Bai-Bin; Li, Yang-Guang; Yu, Yang; Su, Zhan-Hua; Gao, Song; Chen, Ying","New extended poly(oxomolybdophosphates) based on strontium(ii) linkers","CrystEngComm","2011","13","10","3417","","10.1039/c0ce00727g","","","0.71073","MoKα","","0.0416","0.0373","","","0.1017","0.104","","","","","","1.092","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205751","11.4944","0.0011","14.2418","0.0014","15.262","0.0015","69.142","0.001","81.976","0.001","88.108","0.001","2311.4","0.4","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C26 H76 Mn2 Mo12 N4 O78 P8 Sr2 -","- C26 H58 Mn2 Mo12 N4 O78 P8 Sr2 -","- C26 H58 Mn2 Mo12 N4 O78 P8 Sr2 -","1","0.5","","Yu, Kai; Chen, Wei-Lin; Zhou, Bai-Bin; Li, Yang-Guang; Yu, Yang; Su, Zhan-Hua; Gao, Song; Chen, Ying","New extended poly(oxomolybdophosphates) based on strontium(ii) linkers","CrystEngComm","2011","13","10","3417","","10.1039/c0ce00727g","","","0.71073","MoKα","","0.0558","0.044","","","0.1084","0.113","","","","","","1.04","","","","has coordinates,has disorder","180388","2020-10-21","18:00:00",""
"7205752","11.9135","0.0007","13.5243","0.0008","14.224","0.0014","106.946","0.001","107.202","0.001","108.76","0.001","1874.1","0.2","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C20 H54 Cd2 Mo12 N4 O73 P8 Sr2 -","- C20 H42 Cd2 Mo12 N4 O73 P8 Sr2 -","- C20 H42 Cd2 Mo12 N4 O73 P8 Sr2 -","1","0.5","","Yu, Kai; Chen, Wei-Lin; Zhou, Bai-Bin; Li, Yang-Guang; Yu, Yang; Su, Zhan-Hua; Gao, Song; Chen, Ying","New extended poly(oxomolybdophosphates) based on strontium(ii) linkers","CrystEngComm","2011","13","10","3417","","10.1039/c0ce00727g","","","0.71073","MoKα","","0.0257","0.0242","","","0.0651","0.066","","","","","","1.042","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205753","14.1675","0.0004","21.2583","0.0006","13.6566","0.0004","90","","113.85","","90","","3761.83","0.19","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C10 H60 Mn2 Mo12 N2 O82 P8 Sr4 -","- C10 H42 Mn2 Mo12 N2 O82 P8 Sr4 -","- C20 H84 Mn4 Mo24 N4 O164 P16 Sr8 -","2","0.5","","Yu, Kai; Chen, Wei-Lin; Zhou, Bai-Bin; Li, Yang-Guang; Yu, Yang; Su, Zhan-Hua; Gao, Song; Chen, Ying","New extended poly(oxomolybdophosphates) based on strontium(ii) linkers","CrystEngComm","2011","13","10","3417","","10.1039/c0ce00727g","","","0.71073","MoKα","","0.0248","0.0217","","","0.0533","0.0545","","","","","","1.064","","","","has coordinates,has disorder","180388","2020-10-21","18:00:00",""
"7205754","10.631","0.009","9.315","0.008","18.052","0.015","90","","103.771","0.013","90","","1736","3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 N3 O2 -","- C20 H24 N3 O2 -","- C80 H96 N12 O8 -","4","1","","Sarma, Bipul; Thakuria, Ranjit; Nath, Naba K.; Nangia, Ashwini","Crystal structures of mirtazapine molecular salts","CrystEngComm","2011","13","9","3232","","10.1039/c0ce00746c","","","0.71073","MoKα","","0.0921","0.0784","","","0.2147","0.2418","","","","","","0.869","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205755","25.244","0.004","18.525","0.003","8.9052","0.0013","90","","102.753","0.003","90","","4061.7","1.1","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H25 N3 O5 -","- C21 H23 N3 O5 -","- C168 H184 N24 O40 -","8","1","","Sarma, Bipul; Thakuria, Ranjit; Nath, Naba K.; Nangia, Ashwini","Crystal structures of mirtazapine molecular salts","CrystEngComm","2011","13","9","3232","","10.1039/c0ce00746c","","","0.71073","MoKα","","0.0932","0.0791","","","0.1917","0.202","","","","","","1.134","","","","has coordinates,has disorder","180388","2020-10-21","18:00:00",""
"7205756","8.539","0.003","13.703","0.004","17.468","0.005","90","","103.311","0.005","90","","1989","1.1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H27 Cl2 N3 O3 -","- C17 H27 Cl2 N3 O3 -","- C68 H108 Cl8 N12 O12 -","4","1","","Sarma, Bipul; Thakuria, Ranjit; Nath, Naba K.; Nangia, Ashwini","Crystal structures of mirtazapine molecular salts","CrystEngComm","2011","13","9","3232","","10.1039/c0ce00746c","","","0.71073","MoKα","","0.0606","0.0499","","","0.1206","0.1266","","","","","","1.094","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205757","9.801","0.003","17.308","0.005","9.009","0.002","90","","106","0.004","90","","1469","0.7","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 N3 O0.5 -","- C17 H19 N3 O0.529 -","- C68 H76 N12 O2.116 -","4","1","","Sarma, Bipul; Thakuria, Ranjit; Nath, Naba K.; Nangia, Ashwini","Crystal structures of mirtazapine molecular salts","CrystEngComm","2011","13","9","3232","","10.1039/c0ce00746c","","","0.71073","MoKα","","0.0883","0.0652","","","0.1554","0.1693","","","","","","1.067","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205758","8.93","0.003","9.877","0.003","22.497","0.006","90","","90","","90","","1984.3","1","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 N3 O4 -","- C21 H23 N3 O4 -","- C84 H92 N12 O16 -","4","1","","Sarma, Bipul; Thakuria, Ranjit; Nath, Naba K.; Nangia, Ashwini","Crystal structures of mirtazapine molecular salts","CrystEngComm","2011","13","9","3232","","10.1039/c0ce00746c","","","0.71073","MoKα","","0.0688","0.0458","","","0.0888","0.0964","","","","","","1.015","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205759","10.3222","0.0016","10.7865","0.0017","10.8589","0.0017","111.053","0.002","115.931","0.002","99.711","0.002","935.2","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H23 N3 O4 -","- C20 H23 N3 O4 -","- C40 H46 N6 O8 -","2","1","","Sarma, Bipul; Thakuria, Ranjit; Nath, Naba K.; Nangia, Ashwini","Crystal structures of mirtazapine molecular salts","CrystEngComm","2011","13","9","3232","","10.1039/c0ce00746c","","","0.71073","MoKα","","0.0715","0.0565","","","0.1223","0.1295","","","","","","1.087","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205760","13.941","0.008","15.599","0.009","9.412","0.005","90","","99.499","0.011","90","","2019","2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H25 N3 O3 -","- C24 H25 N3 O3 -","- C96 H100 N12 O12 -","4","1","","Sarma, Bipul; Thakuria, Ranjit; Nath, Naba K.; Nangia, Ashwini","Crystal structures of mirtazapine molecular salts","CrystEngComm","2011","13","9","3232","","10.1039/c0ce00746c","","","0.71073","MoKα","","0.1209","0.1056","","","0.3023","0.3101","","","","","","1.255","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205761","9.801","0.003","17.308","0.005","9.009","0.002","90","","106","0.004","90","","1469","0.7","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 N3 O0.5 -","- C17 H19 N3 O0.5 -","- C68 H76 N12 O2 -","4","1","","Sarma, Bipul; Thakuria, Ranjit; Nath, Naba K.; Nangia, Ashwini","Crystal structures of mirtazapine molecular salts","CrystEngComm","2011","13","9","3232","","10.1039/c0ce00746c","","","0.71073","MoKα","","0.0883","0.0652","","","0.1574","0.1716","","","","","","1.06","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205762","6.0786","0.0004","10.5312","0.0008","17.6034","0.0012","90","","90","","90","","1126.88","0.14","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(cyclopentylammonium).(benzoate)","","- C12 H17 N O2 -","- C12 H17 N O2 -","- C48 H68 N4 O8 -","4","1","","Lemmerer, Andreas","Steric effects in hydrogen bonded columns of salts of benzoic acid and 1-adamantanecarboxylic acid with the cyclic amines CnH2n+1NH2, n = 5, 6, 7, 8 and 12","CrystEngComm","2011","13","8","2849","","10.1039/c0ce00749h","","","0.71073","MoKα","","0.0724","0.0487","","","0.1098","0.1241","","","","","","1.091","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205763","22.1824","0.0012","35.8905","0.0019","6.3763","0.0003","90","","90","","90","","5076.4","0.5","173","2","173","2","","","","","","","","4","F d d 2","F 2 -2d","43","","(cyclohexylammonium).(benzoate)","","- C13 H19 N O2 -","- C13 H19 N O2 -","- C208 H304 N16 O32 -","16","1","","Lemmerer, Andreas","Steric effects in hydrogen bonded columns of salts of benzoic acid and 1-adamantanecarboxylic acid with the cyclic amines CnH2n+1NH2, n = 5, 6, 7, 8 and 12","CrystEngComm","2011","13","8","2849","","10.1039/c0ce00749h","","","0.71073","MoKα","","0.1048","0.0702","","","0.1936","0.2219","","","","","","1.007","","","","has coordinates,has disorder","180388","2020-10-21","18:00:00",""
"7205764","29.9753","0.0005","29.9753","0.0005","6.0374","0.0002","90","","90","","90","","5424.7","0.2","173","2","173","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","(cycloheptylammonium).(benzoate)","","- C14 H21 N O2 -","- C14 H21 N O2 -","- C224 H336 N16 O32 -","16","1","","Lemmerer, Andreas","Steric effects in hydrogen bonded columns of salts of benzoic acid and 1-adamantanecarboxylic acid with the cyclic amines CnH2n+1NH2, n = 5, 6, 7, 8 and 12","CrystEngComm","2011","13","8","2849","","10.1039/c0ce00749h","","","0.71073","MoKα","","0.0742","0.0442","","","0.0974","0.1117","","","","","","1.021","","","","has coordinates,has disorder","180388","2020-10-21","18:00:00",""
"7205765","6.4482","0.0001","9.0987","0.0002","12.4471","0.0002","86.603","0.001","87.899","0.001","77.976","0.001","712.78","0.02","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","(cyclooctylammonium).(benzoate)","","- C15 H23 N O2 -","- C15 H23 N O2 -","- C30 H46 N2 O4 -","2","1","","Lemmerer, Andreas","Steric effects in hydrogen bonded columns of salts of benzoic acid and 1-adamantanecarboxylic acid with the cyclic amines CnH2n+1NH2, n = 5, 6, 7, 8 and 12","CrystEngComm","2011","13","8","2849","","10.1039/c0ce00749h","","","0.71073","MoKα","","0.0494","0.0419","","","0.111","0.1162","","","","","","1.048","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205766","6.273","0.0005","27.265","0.002","10.4419","0.0008","90","","90.432","0.002","90","","1785.9","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(cyclododecylammonium).(benzoate)","","- C19 H31 N O2 -","- C19 H31 N O2 -","- C76 H124 N4 O8 -","4","2","","Lemmerer, Andreas","Steric effects in hydrogen bonded columns of salts of benzoic acid and 1-adamantanecarboxylic acid with the cyclic amines CnH2n+1NH2, n = 5, 6, 7, 8 and 12","CrystEngComm","2011","13","8","2849","","10.1039/c0ce00749h","","","0.71073","MoKα","","0.0642","0.0559","","","0.1338","0.1384","","","","","","1.011","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205767","6.4663","0.0002","11.0134","0.0004","21.0375","0.0009","90","","90","","90","","1498.21","0.1","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(cyclopentylammonium).(adamantane carboxylate)","","- C16 H27 N O2 -","- C16 H27 N O2 -","- C64 H108 N4 O8 -","4","1","","Lemmerer, Andreas","Steric effects in hydrogen bonded columns of salts of benzoic acid and 1-adamantanecarboxylic acid with the cyclic amines CnH2n+1NH2, n = 5, 6, 7, 8 and 12","CrystEngComm","2011","13","8","2849","","10.1039/c0ce00749h","","","0.71073","MoKα","","0.0624","0.0475","","","0.1184","0.1267","","","","","","1.012","","","","has coordinates,has disorder","180388","2020-10-21","18:00:00",""
"7205768","6.5544","0.0003","12.7452","0.0004","19.7109","0.0009","76.69","0.003","89.615","0.003","89.59","0.002","1602.3","0.12","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","(cyclohexylammonium).(adamantane carboxylate)","","- C17 H29 N O2 -","- C17 H29 N O2 -","- C68 H116 N4 O8 -","4","2","","Lemmerer, Andreas","Steric effects in hydrogen bonded columns of salts of benzoic acid and 1-adamantanecarboxylic acid with the cyclic amines CnH2n+1NH2, n = 5, 6, 7, 8 and 12","CrystEngComm","2011","13","8","2849","","10.1039/c0ce00749h","","","0.71073","MoKα","","0.1166","0.0915","","","0.2571","0.2709","","","","","","1.115","","","","has coordinates,has disorder","180388","2020-10-21","18:00:00",""
"7205769","23.4749","0.001","6.4309","0.0002","21.8759","0.001","90","","96.802","0.002","90","","3279.2","0.2","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(cycloheptylammonium).(adamantane carboxylate)","","- C18 H31 N O2 -","- C18 H31 N O2 -","- C144 H248 N8 O16 -","8","1","","Lemmerer, Andreas","Steric effects in hydrogen bonded columns of salts of benzoic acid and 1-adamantanecarboxylic acid with the cyclic amines CnH2n+1NH2, n = 5, 6, 7, 8 and 12","CrystEngComm","2011","13","8","2849","","10.1039/c0ce00749h","","","0.71073","MoKα","","0.0772","0.05","","","0.1099","0.1218","","","","","","0.969","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205770","6.4758","0.0003","11.2016","0.0006","24.5573","0.0014","90","","93.217","0.004","90","","1778.56","0.16","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(cyclooctylammonium).(adamantane carboxylate)","","- C19 H33 N O2 -","- C19 H33 N O2 -","- C76 H132 N4 O8 -","4","1","","Lemmerer, Andreas","Steric effects in hydrogen bonded columns of salts of benzoic acid and 1-adamantanecarboxylic acid with the cyclic amines CnH2n+1NH2, n = 5, 6, 7, 8 and 12","CrystEngComm","2011","13","8","2849","","10.1039/c0ce00749h","","","0.71073","MoKα","","0.1684","0.065","","","0.1146","0.147","","","","","","0.918","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205771","28.971","0.0006","6.585","0.0001","23.0547","0.0005","90","","102.386","0.001","90","","4295.87","0.15","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(cyclododecylammonium).(adamantanecarboxylate)","","- C23 H41 N O2 -","- C23 H41 N O2 -","- C184 H328 N8 O16 -","8","1","","Lemmerer, Andreas","Steric effects in hydrogen bonded columns of salts of benzoic acid and 1-adamantanecarboxylic acid with the cyclic amines CnH2n+1NH2, n = 5, 6, 7, 8 and 12","CrystEngComm","2011","13","8","2849","","10.1039/c0ce00749h","","","0.71073","MoKα","","0.0624","0.0438","","","0.1231","0.1569","","","","","","0.644","","","","has coordinates,has disorder","180388","2020-10-21","18:00:00",""
"7205772","5.9666","0.0002","8.7396","0.0002","19.1354","0.0006","90","","92.854","0.002","90","","996.59","0.05","100","0.1","100","0.1","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C2 H7 N3 S -","- C2 H7 N3 S -","- C16 H56 N24 S8 -","8","2","","Francuski, Bojana M.; Novaković, Sladjana B.; Bogdanović, Goran A.","Electronic features and hydrogen bonding capacity of the sulfur acceptor in thioureido-based compounds. Experimental charge density study of 4-methyl-3-thiosemicarbazide","CrystEngComm","2011","13","10","3580","","10.1039/c0ce00760a","","","0.71073","MoKα","","0.0295","0.0178","","","0.0385","0.0199","","","","","","0.817","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205773","16.504","0.003","25.01","0.005","26.843","0.009","90","","116.46","0.02","90","","9919","5","291","2","291","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C70 H72 B Cu5 N20 O41 W12 -","- C70 H72 B Cu5 N20 O41 W12 -","- C280 H288 B4 Cu20 N80 O164 W48 -","4","1","","Hou, Guangfeng; Bi, Lihua; Li, Bao; Wang, Bin; Wu, Lixin","Polyoxometalate charge directed coordination assemblies: Macrocycles and polymer chains","CrystEngComm","2011","13","10","3526","","10.1039/c0ce00761g","","","0.71073","MoKα","","0.0712","0.0441","","","0.0806","0.0891","","","","","","1.022","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205774","19.675","0.002","36.612","0.0013","27.69","0.003","90","","134.453","0.019","90","","14238","5","291","2","291","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H42 Cu3 Mo12 N12 O40 P -","- C42 H42 Cu3 Mo12 N12 O40 P -","- C336 H336 Cu24 Mo96 N96 O320 P8 -","8","2","","Hou, Guangfeng; Bi, Lihua; Li, Bao; Wang, Bin; Wu, Lixin","Polyoxometalate charge directed coordination assemblies: Macrocycles and polymer chains","CrystEngComm","2011","13","10","3526","","10.1039/c0ce00761g","","","0.71073","MoKα","","0.0789","0.0489","","","0.0931","0.1049","","","","","","1.027","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205775","17.473","0.003","19.379","0.004","24.951","0.005","90","","105.36","0.03","90","","8147","3","291","2","291","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C56 H56 Cu4 Mo12 N16 O40 Si -","- C56 H56 Cu4 Mo12 N16 O40 Si -","- C224 H224 Cu16 Mo48 N64 O160 Si4 -","4","0.5","","Hou, Guangfeng; Bi, Lihua; Li, Bao; Wang, Bin; Wu, Lixin","Polyoxometalate charge directed coordination assemblies: Macrocycles and polymer chains","CrystEngComm","2011","13","10","3526","","10.1039/c0ce00761g","","","0.71073","MoKα","","0.0725","0.0696","","","0.172","0.1739","","","","","","1.093","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205776","17.455","0.004","19.421","0.004","25.063","0.005","90","","105.5","0.03","90","","8187","3","291","2","291","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C56 H56 Cu4 N16 O40 Si W12 -","- C56 H56 Cu4 N16 O40 Si W12 -","- C224 H224 Cu16 N64 O160 Si4 W48 -","4","0.5","","Hou, Guangfeng; Bi, Lihua; Li, Bao; Wang, Bin; Wu, Lixin","Polyoxometalate charge directed coordination assemblies: Macrocycles and polymer chains","CrystEngComm","2011","13","10","3526","","10.1039/c0ce00761g","","","0.71073","MoKα","","0.0734","0.0654","","","0.1336","0.1371","","","","","","1.195","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205777","17.4554","0.0007","19.3865","0.0008","25.0002","0.0011","90","","105.521","0.001","90","","8151.5","0.6","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C56 H56 Cu4 Ge Mo12 N16 O40 -","- C56 H56 Cu4 Ge Mo12 N16 O40 -","- C224 H224 Cu16 Ge4 Mo48 N64 O160 -","4","0.5","","Hou, Guangfeng; Bi, Lihua; Li, Bao; Wang, Bin; Wu, Lixin","Polyoxometalate charge directed coordination assemblies: Macrocycles and polymer chains","CrystEngComm","2011","13","10","3526","","10.1039/c0ce00761g","","","0.71073","MoKα","","0.0781","0.0575","","","0.1301","0.1442","","","","","","1.014","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205778","9.824","0.005","10.017","0.006","11.36","0.007","111.68","0.02","96.45","0.02","94.56","0.02","1023.3","1","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H14 Cu Mo3 N4 O9.5 -","- C14 H14 Cu Mo3 N4 O9.5 -","- C28 H28 Cu2 Mo6 N8 O19 -","2","1","","Hou, Guangfeng; Bi, Lihua; Li, Bao; Wang, Bin; Wu, Lixin","Polyoxometalate charge directed coordination assemblies: Macrocycles and polymer chains","CrystEngComm","2011","13","10","3526","","10.1039/c0ce00761g","","","0.71073","MoKα","","0.0384","0.0313","","","0.0777","0.0898","","","","","","1.136","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205779","26.982","0.008","7.503","0.002","15.853","0.004","90","","109.316","0.007","90","","3028.7","1.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H9 Cu2.5 N4 O10 -","- C12 H9 Cu2.5 N4 O10 -","- C96 H72 Cu20 N32 O80 -","8","1","","Yang, En-Cui; Yang, You-Li; Liu, Zhong-Yi; Liu, Kai-Sheng; Wu, Xiao-Yun; Zhao, Xiao-Jun","Two unique antiferromagnetic 3D frameworks with unusual CuII4 cluster and alternate CuII4 + CuII1 structural motif tuned by aromatic polycarboxylate coligand","CrystEngComm","2011","13","7","2667","","10.1039/c0ce00764a","","","0.71073","MoKα","","0.0246","0.0227","","","0.0626","0.0637","","","","","","1.062","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205780","13.5623","0.0016","7.2662","0.0009","15.2513","0.0013","90","","123.605","0.007","90","","1251.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Cu4 N8 O14 -","- C22 H16 Cu4 N8 O14 -","- C44 H32 Cu8 N16 O28 -","2","0.5","","Yang, En-Cui; Yang, You-Li; Liu, Zhong-Yi; Liu, Kai-Sheng; Wu, Xiao-Yun; Zhao, Xiao-Jun","Two unique antiferromagnetic 3D frameworks with unusual CuII4 cluster and alternate CuII4 + CuII1 structural motif tuned by aromatic polycarboxylate coligand","CrystEngComm","2011","13","7","2667","","10.1039/c0ce00764a","","","0.71073","MoKα","","0.0301","0.0259","","","0.0707","0.0728","","","","","","1.045","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205781","10.099","0.002","31.64","0.007","12.45","0.003","90","","95.854","0.002","90","","3957.4","1.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H35 Eu3 O23 -","- C35 H31 Eu3 O23 -","- C140 H124 Eu12 O92 -","4","1","","Zhang, Hai-Juan; Wang, Xiao-Zhu; Zhu, Dun-Ru; Song, You; Xu, Yan; Xu, Heng; Shen, Xuan; Gao, Ting; Huang, Min-Xue","Novel 3D lanthanide-organic frameworks with an unusual infinite nanosized ribbon [Ln3(μ3‒OH)2(‒CO2)6]+n (Ln = Eu, Gd, Dy): syntheses, structures, luminescence, and magnetic properties","CrystEngComm","2011","13","7","2586","","10.1039/c0ce00766h","","","0.71073","MoKα","","0.0376","0.0289","","","0.0674","0.0779","","","","","","1.066","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205782","10.051","0.004","31.543","0.012","12.42","0.005","90","","96.082","0.005","90","","3915","3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H35 Gd3 O23 -","- C35 H31 Gd3 O23 -","- C140 H124 Gd12 O92 -","4","1","","Zhang, Hai-Juan; Wang, Xiao-Zhu; Zhu, Dun-Ru; Song, You; Xu, Yan; Xu, Heng; Shen, Xuan; Gao, Ting; Huang, Min-Xue","Novel 3D lanthanide-organic frameworks with an unusual infinite nanosized ribbon [Ln3(μ3‒OH)2(‒CO2)6]+n (Ln = Eu, Gd, Dy): syntheses, structures, luminescence, and magnetic properties","CrystEngComm","2011","13","7","2586","","10.1039/c0ce00766h","","","0.71073","MoKα","","0.0405","0.0339","","","0.0734","0.0766","","","","","","1.037","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205783","9.9881","0.001","31.471","0.003","12.2888","0.0012","90","","96.147","0.001","90","","3840.6","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H35 Dy3 O23 -","- C35 H31 Dy3 O23 -","- C140 H124 Dy12 O92 -","4","1","","Zhang, Hai-Juan; Wang, Xiao-Zhu; Zhu, Dun-Ru; Song, You; Xu, Yan; Xu, Heng; Shen, Xuan; Gao, Ting; Huang, Min-Xue","Novel 3D lanthanide-organic frameworks with an unusual infinite nanosized ribbon [Ln3(μ3‒OH)2(‒CO2)6]+n (Ln = Eu, Gd, Dy): syntheses, structures, luminescence, and magnetic properties","CrystEngComm","2011","13","7","2586","","10.1039/c0ce00766h","","","0.71073","MoKα","","0.0497","0.0366","","","0.0899","0.1021","","","","","","1.053","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205784","7.049","0.002","11.888","0.003","16.218","0.005","86.15","0.01","84.556","0.0014","86.298","0.0011","1347.5","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H8 Br N O4 S -","- C13 H8 Br N O4 S -","- C52 H32 Br4 N4 O16 S4 -","4","2","","Jacob, C.; da Piedade, Fátima M.; Robalo, M. Paula; Duarte, M. Teresa","Evaluation of intermolecular interactions in thioxanthone derivatives: substituent effect on crystal diversity","CrystEngComm","2011","13","7","2604","","10.1039/c0ce00783h","","","1.5418","CuKα","","0.1207","0.0605","","","0.1496","0.1695","","","","","","0.951","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205785","16.309","0.004","6.7318","0.0016","13.206","0.006","90","","121.757","0.009","90","","1232.8","0.7","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C13 H10 N2 O4 S -","- C13 H10 N2 O4 S -","- C52 H40 N8 O16 S4 -","4","0.5","","Jacob, C.; da Piedade, Fátima M.; Robalo, M. Paula; Duarte, M. Teresa","Evaluation of intermolecular interactions in thioxanthone derivatives: substituent effect on crystal diversity","CrystEngComm","2011","13","7","2604","","10.1039/c0ce00783h","","","0.71073","MoKα","","0.1","0.0485","","","0.0813","0.0981","","","","","","1.012","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205786","7.772","0.003","11.979","0.004","13.235","0.005","90","","104.844","0.005","90","","1191.1","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H6 Br N O3 S -","- C13 H6 Br N O3 S -","- C52 H24 Br4 N4 O12 S4 -","4","1","","Jacob, C.; da Piedade, Fátima M.; Robalo, M. Paula; Duarte, M. Teresa","Evaluation of intermolecular interactions in thioxanthone derivatives: substituent effect on crystal diversity","CrystEngComm","2011","13","7","2604","","10.1039/c0ce00783h","","","1.5418","CuKα","","0.1099","0.0847","","","0.2288","0.2477","","","","","","1.048","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205787","7.665","0.003","19.245","0.007","8.027","0.002","90","","99.656","0.014","90","","1167.3","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H8 N2 O3 S -","- C13 H8 N2 O3 S -","- C52 H32 N8 O12 S4 -","4","1","","Jacob, C.; da Piedade, Fátima M.; Robalo, M. Paula; Duarte, M. Teresa","Evaluation of intermolecular interactions in thioxanthone derivatives: substituent effect on crystal diversity","CrystEngComm","2011","13","7","2604","","10.1039/c0ce00783h","","","0.71073","MoKα","","0.063","0.0377","","","0.0821","0.0926","","","","","","1.015","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205788","7.2392","0.0011","7.256","0.002","12.9183","0.0016","73.904","0.017","77.067","0.011","70.673","0.018","608.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H7 N O3 S -","- C15 H7 N O3 S -","- C30 H14 N2 O6 S2 -","2","1","","Jacob, C.; da Piedade, Fátima M.; Robalo, M. Paula; Duarte, M. Teresa","Evaluation of intermolecular interactions in thioxanthone derivatives: substituent effect on crystal diversity","CrystEngComm","2011","13","7","2604","","10.1039/c0ce00783h","","","0.71069","MoKα","","0.1438","0.064","","","0.1265","0.15","","","","","","0.92","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205789","5.579","0.003","12.653","0.006","16.384","0.009","90","","95.977","0.01","90","","1150.3","1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C7 H9 N O8 P2 Zn2 -","- C7 H9 N O8 P2 Zn2 -","- C28 H36 N4 O32 P8 Zn8 -","4","1","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","Syntheses, crystal structures, thermal stabilities, magnetism and luminescence of two 3D metal phosphonates","CrystEngComm","2011","13","7","2331","","10.1039/c0ce00791a","","","0.71073","MoKα","","0.0714","0.0553","","","0.1031","0.1113","","","","","","1.089","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205790","10.741","0.009","11.109","0.009","11.933","0.011","77.678","0.019","84.65","0.03","75.99","0.02","1348","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H24.5 Cu4 N2 O19.25 P4 -","- C14 H14 Cu3.95 N2 O19.25 P4 -","- C28 H28 Cu7.9 N4 O38.5 P8 -","2","1","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","Syntheses, crystal structures, thermal stabilities, magnetism and luminescence of two 3D metal phosphonates","CrystEngComm","2011","13","7","2331","","10.1039/c0ce00791a","","","0.71073","MoKα","","0.1286","0.0961","","","0.2824","0.3059","","","","","","1.074","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205791","15.7312","0.0012","10.2246","0.0009","16.4141","0.0013","90","","113.281","0.005","90","","2425.2","0.4","150","1","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H16 B Br N6 O -","- C30 H16 B Br N6 O -","- C120 H64 B4 Br4 N24 O4 -","4","1","","Paton, Andrew S.; Lough, Alan J.; Bender, Timothy P.","A role for π‒Br interactions in the solid-state molecular packing of para-halo-phenoxy-boronsubphthalocyanines","CrystEngComm","2011","13","11","3653","","10.1039/c0ce00796j","","","0.71073","MoKα","","0.1368","0.0638","","","0.1388","0.169","","","","","","1.026","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205792","10.0961","0.0004","10.9362","0.0004","11.6798","0.0003","86.562","0.002","78.274","0.002","67.484","0.0014","1166.21","0.07","150","1","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H16 B Cl N6 O -","- C30 H16 B Cl N6 O -","- C60 H32 B2 Cl2 N12 O2 -","2","1","","Paton, Andrew S.; Lough, Alan J.; Bender, Timothy P.","A role for π‒Br interactions in the solid-state molecular packing of para-halo-phenoxy-boronsubphthalocyanines","CrystEngComm","2011","13","11","3653","","10.1039/c0ce00796j","","","0.71073","MoKα","","0.0841","0.0524","","","0.1304","0.1548","","","","","","1.059","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205793","10.1878","0.0003","11.1594","0.0004","11.6949","0.0004","87.172","0.0016","79.795","0.0017","68.681","0.0018","1218.85","0.07","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C30 H16 B I N6 O -","- C30 H16 B I N6 O -","- C60 H32 B2 I2 N12 O2 -","2","1","","Paton, Andrew S.; Lough, Alan J.; Bender, Timothy P.","A role for π‒Br interactions in the solid-state molecular packing of para-halo-phenoxy-boronsubphthalocyanines","CrystEngComm","2011","13","11","3653","","10.1039/c0ce00796j","","","0.71073","MoKα","","0.0467","0.0346","","","0.0788","0.0859","","","","","","1.049","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205794","10.1389","0.0004","11.0056","0.0004","11.6749","0.0005","86.929","0.002","78.811","0.002","68.01","0.0019","1184.74","0.08","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C30 H16 B Br N6 O -","- C30 H16 B Br N6 O -","- C60 H32 B2 Br2 N12 O2 -","2","1","","Paton, Andrew S.; Lough, Alan J.; Bender, Timothy P.","A role for π‒Br interactions in the solid-state molecular packing of para-halo-phenoxy-boronsubphthalocyanines","CrystEngComm","2011","13","11","3653","","10.1039/c0ce00796j","","","0.71073","MoKα","","0.0659","0.0413","","","0.0906","0.1009","","","","","","1.018","","","","has coordinates","180388","2020-10-21","18:00:00",""
"7205795","10.503","0.006","10.907","0.007","13.045","0.007","88.62","0.02","66.884","0.015","80.085","0.017","1352.3","1.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H16 Cu0.5 Eu2 N3 O17 S -","- C20 H16 Cu0.5 Eu2 N3 O17 S -","- C40 H32 Cu Eu4 N6 O34 S2 -","2","1","","Xu, Jing; Su, Weiping; Hong, Maochun","3D lanthanide‒transition-metal‒organic frameworks constructed from tetranuclear {Ln4} SBUs and Cu centres with fsc net","CrystEngComm","2011","13","12","3998","","10.1039/c0ce00800a","","","0.71073","MoKα","","0.0757","0.0622","","","0.1521","0.1686","","","","","","1.122","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205796","10.51","","10.9229","0.0004","13.025","0.0001","88.851","0.007","66.903","0.005","80.45","0.007","1354.67","0.08","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H16 Cu0.5 N3 Nd2 O17 S -","- C20 H16 Cu0.5 N3 Nd2 O17 S -","- C40 H32 Cu N6 Nd4 O34 S2 -","2","1","","Xu, Jing; Su, Weiping; Hong, Maochun","3D lanthanide‒transition-metal‒organic frameworks constructed from tetranuclear {Ln4} SBUs and Cu centres with fsc net","CrystEngComm","2011","13","12","3998","","10.1039/c0ce00800a","","","0.71073","MoKα","","0.0691","0.058","","","0.1567","0.173","","","","","","1.1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205797","10.426","","10.8303","0.0003","12.9799","0.0001","88.649","0.007","66.992","0.005","80.223","0.005","1327.98","0.07","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H16 Cu0.5 Gd2 N3 O17 S -","- C20 H16 Cu0.5 Gd2 N3 O17 S -","- C40 H32 Cu Gd4 N6 O34 S2 -","2","1","","Xu, Jing; Su, Weiping; Hong, Maochun","3D lanthanide‒transition-metal‒organic frameworks constructed from tetranuclear {Ln4} SBUs and Cu centres with fsc net","CrystEngComm","2011","13","12","3998","","10.1039/c0ce00800a","","","0.71073","MoKα","","0.0617","0.0543","","","0.1385","0.1509","","","","","","1.098","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205798","10.49","0.004","10.903","0.005","13.026","0.005","88.736","0.014","66.916","0.007","80.309","0.01","1349.4","1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H16 Cu0.5 N3 O17 S Sm2 -","- C20 H16 Cu0.5 N3 O17 S Sm2 -","- C40 H32 Cu N6 O34 S2 Sm4 -","2","1","","Xu, Jing; Su, Weiping; Hong, Maochun","3D lanthanide‒transition-metal‒organic frameworks constructed from tetranuclear {Ln4} SBUs and Cu centres with fsc net","CrystEngComm","2011","13","12","3998","","10.1039/c0ce00800a","","","0.71073","MoKα","","0.0904","0.0733","","","0.1909","0.2239","","","","","","1.141","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205799","15.9164","0.0008","15.9164","0.0008","7.8769","0.0004","90","","90","","120","","1728.13","0.15","100","2","100","2","","","","","","","","4","P 62","P 62","171","solvated gamma-aminobutyric acid","solvated gamma-aminobutyric acid","","- C8.2 H18 N2 O4.1 -","- C8.2 H18 N2 O4.1 -","- C49.2 H108 N12 O24.6 -","6","1","","de Vries, Elise J. C.; Levendis, Demetrius C.; Reece, Hayley A.","A hexagonal solvate of the neurotransmitter γ-aminobutyric acid","CrystEngComm","2011","13","10","3334","","10.1039/c0ce00803f","","","0.71073","MoKα","","0.1018","0.0542","","","0.1214","0.1396","","","","","","1.008","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7205800","10.2479","0.0004","19.6937","0.0009","36.3999","0.0015","88.258","0.003","88.801","0.003","89.558","0.004","7341","0.5","120","1","120","1","","","","","","","","6","P -1","-P 1","2","","","","- C52 H39 Br2 Fe O13 S32 -","- C52 H39 Br2 Fe O13 S32 -","- C208 H156 Br8 Fe4 O52 S128 -","4","2","","Zorina, Leokadiya V.; Khasanov, Salavat S.; Simonov, Sergey V.; Shibaeva, Rimma P.; Zverev, Vladimir N.; Canadell, Enric; Prokhorova, Tatiana G.; Yagubskii, Eduard B.","Coexistence of two donor packing motifs in the stable molecular metal α-‘pseudo-κ’-(BEDT-TTF)4(H3O)[Fe(C2O4)3]·C6H4Br2","CrystEngComm","2011","13","7","2430","","10.1039/c0ce00804d","","","0.71073","MoKα","","0.1195","0.0554","","","0.1067","0.1202","","","","","","1","","","","has coordinates,has disorder","180389","2020-10-21","18:00:00",""
"7205801","9.1761","0.0003","11.7881","0.0007","11.8683","0.0007","103.977","0.002","97.401","0.003","94.414","0.003","1227.58","0.11","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H34 N2 O9 -","- C25 H34 N2 O9 -","- C50 H68 N4 O18 -","2","1","","Brelot, Lydia; Cao, Xiao-yu; Harrowfield, Jack; Lehn, Jean-Marie; Rissanen, Kari; Russo, Luca","A new hydrogen bonding motif involved in self-recognition in the solid state by functionalised macrocycles","CrystEngComm","2011","13","7","2346","","10.1039/c0ce00814a","","","0.71073","MoKα","","0.1154","0.0531","","","0.1226","0.1717","","","","","","0.993","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205802","10.1087","0.0006","10.8879","0.0004","14.367","0.001","98.432","0.003","94.188","0.003","116.888","0.003","1377.57","0.14","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H28 Cl6 N2 O7 -","- C19 H28 Cl6 N2 O7 -","- C38 H56 Cl12 N4 O14 -","2","1","","Brelot, Lydia; Cao, Xiao-yu; Harrowfield, Jack; Lehn, Jean-Marie; Rissanen, Kari; Russo, Luca","A new hydrogen bonding motif involved in self-recognition in the solid state by functionalised macrocycles","CrystEngComm","2011","13","7","2346","","10.1039/c0ce00814a","","","0.71073","MoKα","","0.1152","0.0605","","","0.1637","0.2061","","","","","","1.041","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205803","9.7106","0.0002","19.4586","0.0004","11.009","0.0002","90","","113.827","0.001","90","","1902.91","0.07","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H33 Cl3 N4 O4 -","- C12 H33 Cl3 N4 O4 -","- C48 H132 Cl12 N16 O16 -","4","1","","Brelot, Lydia; Cao, Xiao-yu; Harrowfield, Jack; Lehn, Jean-Marie; Rissanen, Kari; Russo, Luca","A new hydrogen bonding motif involved in self-recognition in the solid state by functionalised macrocycles","CrystEngComm","2011","13","7","2346","","10.1039/c0ce00814a","","","0.71073","MoKα","","0.0474","0.038","","","0.0757","0.0807","","","","","","1.079","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205804","16.115","0.003","18.888","0.004","4.9329","0.0012","90","","90","","90","","1501.5","0.6","123","2","123","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C15 H15 N2 O4 P -","- C15 H15 N2 O4 P -","- C60 H60 N8 O16 P4 -","4","1","","Singh, Udai P.; Kashyap, Sujata; Singh, Hari Ji; Butcher, Ray J.","Anion directed supramolecular architecture of pyrazole based ionic salts","CrystEngComm","2011","13","12","4110","","10.1039/c0ce00820f","","","0.71073","MoKα","","0.0455","0.0356","","","0.0802","0.0854","","","","","","1.037","","","","has coordinates,has disorder","180389","2020-10-21","18:00:00",""
"7205805","6.253","0.0002","14.4187","0.0005","15.9581","0.0006","90","","93.37","0.001","90","","1436.3","0.09","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 N3 O4 -","- C15 H15 N3 O4 -","- C60 H60 N12 O16 -","4","1","","Singh, Udai P.; Kashyap, Sujata; Singh, Hari Ji; Butcher, Ray J.","Anion directed supramolecular architecture of pyrazole based ionic salts","CrystEngComm","2011","13","12","4110","","10.1039/c0ce00820f","","","0.71073","MoKα","","0.0498","0.0372","","","0.0939","0.1026","","","","","","1.034","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205806","8.1846","0.0002","17.0013","0.0004","9.4108","0.0002","90","","99.507","0.001","90","","1291.52","0.05","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H13 Cl N2 -","- C15 H13 Cl N2 -","- C60 H52 Cl4 N8 -","4","1","","Singh, Udai P.; Kashyap, Sujata; Singh, Hari Ji; Butcher, Ray J.","Anion directed supramolecular architecture of pyrazole based ionic salts","CrystEngComm","2011","13","12","4110","","10.1039/c0ce00820f","","","0.71073","MoKα","","0.048","0.0363","","","0.0907","0.0986","","","","","","1.032","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205807","14.7258","0.0007","20.1708","0.0008","20.1033","0.0007","90","","104.689","0.001","90","","5776.1","0.4","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C120 H114 N16 O27 S6 -","- C120 H114 N16 O27 S6 -","- C240 H228 N32 O54 S12 -","2","1","","Singh, Udai P.; Kashyap, Sujata; Singh, Hari Ji; Butcher, Ray J.","Anion directed supramolecular architecture of pyrazole based ionic salts","CrystEngComm","2011","13","12","4110","","10.1039/c0ce00820f","","","0.71073","MoKα","","0.1144","0.0588","","","0.1041","0.1235","","","","","","1.022","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205808","18.4041","0.0017","8.4011","0.0007","22.587","0.002","90","","90","","90","","3492.3","0.5","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H19 Cl N2 O6 -","- C16 H19 Cl N2 O6 -","- C128 H152 Cl8 N16 O48 -","8","1","","Singh, Udai P.; Kashyap, Sujata; Singh, Hari Ji; Butcher, Ray J.","Anion directed supramolecular architecture of pyrazole based ionic salts","CrystEngComm","2011","13","12","4110","","10.1039/c0ce00820f","","","0.71073","MoKα","","0.1002","0.0727","","","0.2103","0.2369","","","","","","1.056","","","","has coordinates,has disorder","180389","2020-10-21","18:00:00",""
"7205809","12.7148","0.0006","13.1573","0.0005","23.569","0.0012","90","","98.144","0.0017","90","","3903.2","0.3","120.1","","120.1","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H84 K8 O14 S8 -","- C72 H84 K8 O14 S8 -","- C144 H168 K16 O28 S16 -","2","0.5","","Yamada, Manabu; Hamada, Fumio","Thiacalix[4]arene‒potassium assemblies: a supramolecular architecture based on coordination polymers and a dimeric structure based on triangular pyramidal arrangements","CrystEngComm","2011","13","7","2494","","10.1039/c0ce00824a","","","0.71075","MoKα","","","0.0559","","","","0.1884","","","","","","1.047","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205810","22.2021","0.001","19.4371","0.0009","15.8554","0.0006","90","","130.596","0.0009","90","","5195.5","0.4","173.1","","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C100 H72 K8 O23 S16 -","- C100 H72 K8 O23 S16 -","- C200 H144 K16 O46 S32 -","2","0.5","","Yamada, Manabu; Hamada, Fumio","Thiacalix[4]arene‒potassium assemblies: a supramolecular architecture based on coordination polymers and a dimeric structure based on triangular pyramidal arrangements","CrystEngComm","2011","13","7","2494","","10.1039/c0ce00824a","","","0.71075","MoKα","","0.0661","0.0552","","","0.1577","0.1851","","","","","","1.379","","","","has coordinates,has disorder","180389","2020-10-21","18:00:00",""
"7205811","22.572","0.0013","21.1052","0.0012","20.6054","0.0013","90","","117.648","0.013","90","","8695.3","1.4","291","2","291","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C120 H198 Dy14 O72 -","- C120 H198 Dy14 O72 -","- C240 H396 Dy28 O144 -","2","0.5","","Li, Xi-Li; He, Lai-Fu; Feng, Xiang-Li; Song, You; Hu, Min; Han, Li-Feng; Zheng, Xian-Jun; Zhang, Zhi-Hong; Fang, Shao-Ming","Two chiral tetradecanuclear hydroxo-lanthanide clusters with luminescent and magnetic properties","CrystEngComm","2011","13","11","3643","","10.1039/c0ce00826e","","","0.71073","MoKα","","0.0554","0.0324","","","0.0849","0.1022","","","","","","1.004","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7205812","22.9431","0.0016","21.5429","0.001","20.9251","0.0014","90","","117.282","0.009","90","","9192","1.2","291","2","291","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C120 H198 O72 Tb14 -","- C120 H198 O72 Tb14 -","- C240 H396 O144 Tb28 -","2","0.5","","Li, Xi-Li; He, Lai-Fu; Feng, Xiang-Li; Song, You; Hu, Min; Han, Li-Feng; Zheng, Xian-Jun; Zhang, Zhi-Hong; Fang, Shao-Ming","Two chiral tetradecanuclear hydroxo-lanthanide clusters with luminescent and magnetic properties","CrystEngComm","2011","13","11","3643","","10.1039/c0ce00826e","","","0.71073","MoKα","","0.0504","0.0416","","","0.0924","0.0945","","","","","","1.059","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7205813","20.5097","0.0016","7.9119","0.0006","12.3903","0.001","90","","123.334","0.001","90","","1679.8","0.2","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H18 Br2 N2 Ni O4 -","- C12 H18 Br2 N2 Ni O4 -","- C48 H72 Br8 N8 Ni4 O16 -","4","0.5","","Zhang, Wen-Hua; Sulaiman, Norlela Binte; Tio, P. X. Shaun; Hor, T. S. Andy","Nuclearity growth towards Ni(ii) cubane in self-assembly with 2-hydroxymethyl pyridine (hmpH) and 5-ethoxycarbonyl-2-hydroxymethyl pyridine (5-ehmpH)","CrystEngComm","2011","13","8","2915","","10.1039/c0ce00831a","","","0.71073","MoKα","","0.0427","0.0357","","","0.0898","0.1132","","","","","","1.227","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205814","17.2034","0.0008","12.6231","0.0007","16.8913","0.0009","90","","105.234","0.001","90","","3539.2","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H36 N4 Ni4 O12 -","- C32 H36 N4 Ni4 O12 -","- C128 H144 N16 Ni16 O48 -","4","0.5","","Zhang, Wen-Hua; Sulaiman, Norlela Binte; Tio, P. X. Shaun; Hor, T. S. Andy","Nuclearity growth towards Ni(ii) cubane in self-assembly with 2-hydroxymethyl pyridine (hmpH) and 5-ethoxycarbonyl-2-hydroxymethyl pyridine (5-ehmpH)","CrystEngComm","2011","13","8","2915","","10.1039/c0ce00831a","","","0.71073","MoKα","","0.0362","0.0314","","","0.0803","0.0827","","","","","","1.06","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205815","13.7506","0.0005","22.6852","0.0008","25.2982","0.0008","110.525","0.001","93.087","0.001","105.933","0.001","7007.1","0.4","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C110 H139 Br12 N13 Ni6 O38 -","- C110 H139 Br12 N13 Ni6 O38 -","- C220 H278 Br24 N26 Ni12 O76 -","2","1","","Zhang, Wen-Hua; Sulaiman, Norlela Binte; Tio, P. X. Shaun; Hor, T. S. Andy","Nuclearity growth towards Ni(ii) cubane in self-assembly with 2-hydroxymethyl pyridine (hmpH) and 5-ethoxycarbonyl-2-hydroxymethyl pyridine (5-ehmpH)","CrystEngComm","2011","13","8","2915","","10.1039/c0ce00831a","","","0.71073","MoKα","","0.1121","0.0693","","","0.1866","0.2088","","","","","","1.061","","","","has coordinates,has disorder","180389","2020-10-21","18:00:00",""
"7205816","28.336","0.006","8.9991","0.0018","21.869","0.004","90","","110.33","0.03","90","","5229","2","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C82 H99 Br6 N9 Ni3 O28 -","- C82 H99 Br6 N9 Ni3 O28 -","- C164 H198 Br12 N18 Ni6 O56 -","2","0.5","","Zhang, Wen-Hua; Sulaiman, Norlela Binte; Tio, P. X. Shaun; Hor, T. S. Andy","Nuclearity growth towards Ni(ii) cubane in self-assembly with 2-hydroxymethyl pyridine (hmpH) and 5-ethoxycarbonyl-2-hydroxymethyl pyridine (5-ehmpH)","CrystEngComm","2011","13","8","2915","","10.1039/c0ce00831a","","","0.71073","MoKα","","0.1406","0.0802","","","0.1967","0.2377","","","","","","0.992","","","","has coordinates,has disorder","180389","2020-10-21","18:00:00",""
"7205817","17.1496","0.0004","17.1496","0.0004","16.3976","0.0008","90","","90","","90","","4822.7","0.3","100","2","100","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C36 H48 Br4 N4 Ni4 O16 -","- C36 H48 Br4 N4 Ni4 O16 -","- C144 H192 Br16 N16 Ni16 O64 -","4","0.25","","Zhang, Wen-Hua; Sulaiman, Norlela Binte; Tio, P. X. Shaun; Hor, T. S. Andy","Nuclearity growth towards Ni(ii) cubane in self-assembly with 2-hydroxymethyl pyridine (hmpH) and 5-ethoxycarbonyl-2-hydroxymethyl pyridine (5-ehmpH)","CrystEngComm","2011","13","8","2915","","10.1039/c0ce00831a","","","0.71073","MoKα","","0.03","0.0264","","","0.0679","0.0696","","","","","","1.08","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205818","18.0337","0.0019","20.674","0.002","14.831","0.0016","90","","109.676","0.002","90","","5206.6","0.9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H56 N4 Ni4 O22 -","- C44 H56 N4 Ni4 O22 -","- C176 H224 N16 Ni16 O88 -","4","0.5","","Zhang, Wen-Hua; Sulaiman, Norlela Binte; Tio, P. X. Shaun; Hor, T. S. Andy","Nuclearity growth towards Ni(ii) cubane in self-assembly with 2-hydroxymethyl pyridine (hmpH) and 5-ethoxycarbonyl-2-hydroxymethyl pyridine (5-ehmpH)","CrystEngComm","2011","13","8","2915","","10.1039/c0ce00831a","","","0.71073","MoKα","","0.0628","0.0452","","","0.1049","0.113","","","","","","1.058","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205819","39.642","0.006","10.6741","0.0015","19.194","0.003","90","","94.065","0.004","90","","8101","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H44 N4 Ni4 O15.38 -","- C34 H44 N4 Ni4 O15.416 -","- C272 H352 N32 Ni32 O123.328 -","8","1","","Zhang, Wen-Hua; Sulaiman, Norlela Binte; Tio, P. X. Shaun; Hor, T. S. Andy","Nuclearity growth towards Ni(ii) cubane in self-assembly with 2-hydroxymethyl pyridine (hmpH) and 5-ethoxycarbonyl-2-hydroxymethyl pyridine (5-ehmpH)","CrystEngComm","2011","13","8","2915","","10.1039/c0ce00831a","","","0.71073","MoKα","","0.0792","0.0562","","","0.131","0.1402","","","","","","1.087","","","","has coordinates,has disorder","180389","2020-10-21","18:00:00",""
"7205820","10.599","0.005","12.238","0.005","13.468","0.005","73.105","0.005","70.024","0.005","88.139","0.005","1566.6","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H28 Mo4 N12 Ni O15 -","- C16 H26 Mo4 N12 Ni O15 -","- C32 H52 Mo8 N24 Ni2 O30 -","2","1","","Wang, Xiuli; Li, Jin; Tian, Aixiang; Liu, Guocheng; Gao, Qiang; Lin, Hongyan; Zhao, Dan","A 3D organopolymolybdate polymer with unusual topology functionalized by 1,4-bis(1,2,4-triazol-1-yl)butane through Mo‒N bond","CrystEngComm","2011","13","7","2194","","10.1039/c0ce00845a","","","0.71069","MoKα","","0.0467","0.0332","","","0.0936","0.1172","","","","","","1.091","","","","has coordinates,has disorder","180389","2020-10-21","18:00:00",""
"7205821","9.7616","0.0013","9.9673","0.0013","11.53","0.003","104.062","0.003","99.128","0.003","115.917","0.002","932.6","0.3","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H15 Ag N8 O3 -","- C16 H15 Ag N8 O3 -","- C32 H30 Ag2 N16 O6 -","2","1","","Tang, Xiao-Liang; Dou, Wei; Zhou, Ji-an; Zhang, Guo-Lin; Liu, Wei-Sheng; Yang, Li-Zi; Shao, Yong-Liang","Metallomacrocycle or coordination polymer: Spacer-directed self-assembly of transition-metal complexes based on flexible bis(benzotriazole) ligands","CrystEngComm","2011","13","8","2890","","10.1039/c0ce00847h","","","0.71073","MoKα","","0.0408","0.0318","","","0.0755","0.0812","","","","","","1.004","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205822","15.282","0.002","15.282","0.002","40.377","0.004","90","","90","","120","","8166.3","1.7","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C48 H48 Ag2 N20 O9 -","- C48 H48 Ag2 N20 O9 -","- C288 H288 Ag12 N120 O54 -","6","0.166667","","Tang, Xiao-Liang; Dou, Wei; Zhou, Ji-an; Zhang, Guo-Lin; Liu, Wei-Sheng; Yang, Li-Zi; Shao, Yong-Liang","Metallomacrocycle or coordination polymer: Spacer-directed self-assembly of transition-metal complexes based on flexible bis(benzotriazole) ligands","CrystEngComm","2011","13","8","2890","","10.1039/c0ce00847h","","","0.71073","MoKα","","0.0931","0.0704","","","0.1886","0.2109","","","","","","1.013","","","","has coordinates,has disorder","180389","2020-10-21","18:00:00",""
"7205823","11.302","0.004","9.866","0.003","19.3","0.005","90","","107.972","0.015","90","","2047.1","1.1","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Ag N7 O5 -","- C18 H20 Ag N7 O5 -","- C72 H80 Ag4 N28 O20 -","4","1","","Tang, Xiao-Liang; Dou, Wei; Zhou, Ji-an; Zhang, Guo-Lin; Liu, Wei-Sheng; Yang, Li-Zi; Shao, Yong-Liang","Metallomacrocycle or coordination polymer: Spacer-directed self-assembly of transition-metal complexes based on flexible bis(benzotriazole) ligands","CrystEngComm","2011","13","8","2890","","10.1039/c0ce00847h","","","0.71073","MoKα","","0.0427","0.029","","","0.0716","0.0783","","","","","","1.034","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205824","7.7004","0.0014","9.5195","0.0018","11.112","0.002","79.404","0.003","86.652","0.003","80.058","0.003","788.3","0.3","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 Cl2 Cu N6 -","- C14 H12 Cl2 Cu N6 -","- C28 H24 Cl4 Cu2 N12 -","2","1","","Tang, Xiao-Liang; Dou, Wei; Zhou, Ji-an; Zhang, Guo-Lin; Liu, Wei-Sheng; Yang, Li-Zi; Shao, Yong-Liang","Metallomacrocycle or coordination polymer: Spacer-directed self-assembly of transition-metal complexes based on flexible bis(benzotriazole) ligands","CrystEngComm","2011","13","8","2890","","10.1039/c0ce00847h","","","0.71073","MoKα","","0.062","0.0453","","","0.1075","0.116","","","","","","1.031","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205825","8.7198","0.0007","10.1265","0.0009","10.9772","0.0009","88.422","0.001","73.732","0.001","72.307","0.001","884.72","0.13","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H32 Cl4 Cu2 N12 O2 -","- C32 H32 Cl4 Cu2 N12 O2 -","- C32 H32 Cl4 Cu2 N12 O2 -","1","0.5","","Tang, Xiao-Liang; Dou, Wei; Zhou, Ji-an; Zhang, Guo-Lin; Liu, Wei-Sheng; Yang, Li-Zi; Shao, Yong-Liang","Metallomacrocycle or coordination polymer: Spacer-directed self-assembly of transition-metal complexes based on flexible bis(benzotriazole) ligands","CrystEngComm","2011","13","8","2890","","10.1039/c0ce00847h","","","0.71073","MoKα","","0.0404","0.031","","","0.0703","0.0748","","","","","","1.016","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205826","35.704","0.006","33.36","0.005","8.2196","0.0013","90","","90","","90","","9790","3","294","2","294","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H54 Cl4 Cu2 N14 O6 -","- C42 H54 Cl4 Cu2 N14 O6 -","- C336 H432 Cl32 Cu16 N112 O48 -","8","1","","Tang, Xiao-Liang; Dou, Wei; Zhou, Ji-an; Zhang, Guo-Lin; Liu, Wei-Sheng; Yang, Li-Zi; Shao, Yong-Liang","Metallomacrocycle or coordination polymer: Spacer-directed self-assembly of transition-metal complexes based on flexible bis(benzotriazole) ligands","CrystEngComm","2011","13","8","2890","","10.1039/c0ce00847h","","","0.71073","MoKα","","0.1938","0.0916","","","0.1546","0.19","","","","","","1.012","","","","has coordinates,has disorder","180389","2020-10-21","18:00:00",""
"7205827","17.0151","0.0003","17.0151","0.0003","56.2326","0.0017","90","","90","","120","","14099","0.6","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C72 H49 Gd9 N12 O44 -","- C72 H37 Gd9 N12 O44 -","- C432 H222 Gd54 N72 O264 -","6","0.166667","","Yuan, Ning; Sheng, Tianlu; Tian, Chongbin; Hu, Shengmin; Fu, Ruibiao; Zhu, Qilong; Tan, Chunhong; Wu, Xintao","Syntheses, structures and properties of three-dimensional lanthanide frameworks constructed with a trigonal anti-prismatic lanthanide cluster","CrystEngComm","2011","13","12","4244","","10.1039/c0ce00848f","","","0.71073","MoKα","","0.033","0.0325","","","0.0934","0.0938","","","","","","1.004","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205828","17.0615","0.0004","17.0615","0.0004","56.505","0.003","90","","90","","120","","14244.7","0.9","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C72 H49 Eu9 N12 O44 -","- C72 H37 Eu9 N12 O44 -","- C432 H222 Eu54 N72 O264 -","6","0.166667","","Yuan, Ning; Sheng, Tianlu; Tian, Chongbin; Hu, Shengmin; Fu, Ruibiao; Zhu, Qilong; Tan, Chunhong; Wu, Xintao","Syntheses, structures and properties of three-dimensional lanthanide frameworks constructed with a trigonal anti-prismatic lanthanide cluster","CrystEngComm","2011","13","12","4244","","10.1039/c0ce00848f","","","0.71073","MoKα","","0.0446","0.0432","","","0.1224","0.1237","","","","","","1.004","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205829","8.5848","0.0014","15.017","0.002","10.518","0.0016","90","","101.338","0.003","90","","1329.5","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 Cu2 N6 S4 -","- C22 H26 Cu2 N6 S4 -","- C44 H52 Cu4 N12 S8 -","2","0.5","","Yue, Jun-Ming; Niu, Yun-Yin; Zhang, Bing; Ng, Seik-Weng; Hou, Hong-Wei","Four novel metal coordination polymers directed by 1,1′-dibutyl-4,4′-bipyridinium dibromide (BBP) and their framework dependent luminescent properties","CrystEngComm","2011","13","7","2571","","10.1039/c0ce00854k","","","0.71073","MoKα","","0.0627","0.042","","","0.0941","0.1032","","","","","","0.975","","","","has coordinates,has disorder","180389","2020-10-21","18:00:00",""
"7205830","15.7586","0.001","13.6737","0.0009","33.957","0.002","90","","100.383","0.001","90","","7197.2","0.8","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C96 H144 I22 N12 O2 Pb6 -","- C96 H144 I22 N12 O2 Pb6 -","- C192 H288 I44 N24 O4 Pb12 -","2","0.5","","Yue, Jun-Ming; Niu, Yun-Yin; Zhang, Bing; Ng, Seik-Weng; Hou, Hong-Wei","Four novel metal coordination polymers directed by 1,1′-dibutyl-4,4′-bipyridinium dibromide (BBP) and their framework dependent luminescent properties","CrystEngComm","2011","13","7","2571","","10.1039/c0ce00854k","","","0.71073","MoKα","","0.131","0.0596","","","0.1359","0.1585","","","","","","0.927","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205831","26.592","0.0013","11.1777","0.0005","16.1137","0.0008","90","","110.993","0.001","90","","4471.7","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H26 Ag I3 N2 -","- C18 H26 Ag I3 N2 -","- C144 H208 Ag8 I24 N16 -","8","1","","Yue, Jun-Ming; Niu, Yun-Yin; Zhang, Bing; Ng, Seik-Weng; Hou, Hong-Wei","Four novel metal coordination polymers directed by 1,1′-dibutyl-4,4′-bipyridinium dibromide (BBP) and their framework dependent luminescent properties","CrystEngComm","2011","13","7","2571","","10.1039/c0ce00854k","","","0.71073","MoKα","","0.0325","0.0257","","","0.0622","0.0651","","","","","","1.044","","","","has coordinates,has disorder","180389","2020-10-21","18:00:00",""
"7205832","12.608","0.0007","9.7404","0.0005","25.4217","0.0014","90","","96.403","0.001","90","","3102.5","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H26 Cu4 N8 S6 -","- C24 H26 Cu4 N8 S6 -","- C96 H104 Cu16 N32 S24 -","4","0.5","","Yue, Jun-Ming; Niu, Yun-Yin; Zhang, Bing; Ng, Seik-Weng; Hou, Hong-Wei","Four novel metal coordination polymers directed by 1,1′-dibutyl-4,4′-bipyridinium dibromide (BBP) and their framework dependent luminescent properties","CrystEngComm","2011","13","7","2571","","10.1039/c0ce00854k","","","0.71073","MoKα","","0.0249","0.0223","","","0.0563","0.0574","","","","","","1.051","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205833","7.6036","0.0001","8.548","0.0001","13.8275","0.0002","90","","90.3164","0.0007","90","","898.71","0.02","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H28 N8 O4 -","- C12 H28 N8 O4 -","- C24 H56 N16 O8 -","2","0.5","","Bushmarinov, Ivan S.; Nabiev, Orudzh G.; Kostyanovsky, Remir G.; Antipin, Mikhail Yu.; Lyssenko, Konstantin A.","The azide anion as a building block in crystal engineering from a charge density point of view","CrystEngComm","2011","13","8","2930","","10.1039/c0ce00859a","","","0.71073","MoKα","","0.074","0.0401","","","0.1021","0.1222","","","","","","1.005","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205834","11.6608","0.0006","39.3981","0.0019","24.4617","0.0012","90","","101.297","0.003","90","","11020.3","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H60 Cl0 Mn4 N0 O20 -","- C50 H56 Mn4 O20 -","- C400 H448 Mn32 O160 -","8","1","","Tian, Chong-Bin; He, Zhang-Zhen; Li, Zhi-Hua; Lin, Ping; Du, Shao-Wu","Two new ferrimagnetic MnII-carboxylate coordination polymers constructed from 5-tert-butyl isophthalic acid with (5/2, 15/2) and (5/2, 10/2) spin topologies","CrystEngComm","2011","13","8","3080","","10.1039/c0ce00864h","","","0.71073","MoKα","","0.0628","0.0574","","","0.1828","0.1885","","","","","","0.991","","","","has coordinates,has disorder","180389","2020-10-21","18:00:00",""
"7205835","9.324","0.004","9.821","0.004","16.303","0.007","87.715","0.012","77.376","0.013","72.201","0.009","1386.5","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H66 Mn3 N0 O18 -","- C54 H64 Mn3 O18 -","- C54 H64 Mn3 O18 -","1","0.5","","Tian, Chong-Bin; He, Zhang-Zhen; Li, Zhi-Hua; Lin, Ping; Du, Shao-Wu","Two new ferrimagnetic MnII-carboxylate coordination polymers constructed from 5-tert-butyl isophthalic acid with (5/2, 15/2) and (5/2, 10/2) spin topologies","CrystEngComm","2011","13","8","3080","","10.1039/c0ce00864h","","","0.71073","MoKα","","0.0725","0.0534","","","0.1303","0.1436","","","","","","1.051","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205836","5.354","0.0011","18.372","0.004","6.8327","0.0014","90","","113.85","0.03","90","","614.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Bis_1H-1,2,4-Triazole_Succinic_Acid","","","- C8 H12 N6 O4 -","- C8 H12 N6 O4 -","- C16 H24 N12 O8 -","2","0.5","","Pogorzelec-Glaser, Katarzyna; Pietraszko, Adam; Baran, Jan; Hilczer, Bożena; Małecki, Jerzy; Połomska, Maria; Ławniczak, Paweł","Structure and molecular dynamics of bis-1H-1,2,4-triazole succinic acid complex crystals","CrystEngComm","2011","13","11","3698","","10.1039/c0ce00866d","","","0.71073","MoKα","","0.1311","0.0566","","","0.0782","0.0886","","","","","","1.179","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205837","5.269","0.0011","18.18","0.004","6.554","0.0013","90","","111.89","0.03","90","","582.5","0.2","12","2","12","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Bis_1H-1,2,4-TriazoleSuccinic_Acid","","","- C8 H12 N6 O4 -","- C8 H12 N6 O4 -","- C16 H24 N12 O8 -","2","0.5","","Pogorzelec-Glaser, Katarzyna; Pietraszko, Adam; Baran, Jan; Hilczer, Bożena; Małecki, Jerzy; Połomska, Maria; Ławniczak, Paweł","Structure and molecular dynamics of bis-1H-1,2,4-triazole succinic acid complex crystals","CrystEngComm","2011","13","11","3698","","10.1039/c0ce00866d","","","0.71073","MoKα","","0.0708","0.0516","","","0.1091","0.1146","","","","","","1.134","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205838","16.713","0.003","21.571","0.003","26.609","0.004","90","","105.28","0.002","90","","9254","3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C84 H64 Co3 N6 O20 -","- C84 H64 Co3 N6 O20 -","- C336 H256 Co12 N24 O80 -","4","0.5","","Liu, Jian-Qiang; Wang, Yao-Yu; Huang, Yun-Sheng","Structural variability of Co(ii) and Ni(ii) entangled metal‒organic frameworks: effect of N-donor ligands and metal ions","CrystEngComm","2011","13","11","3733","","10.1039/c0ce00871k","","","0.71073","MoKα","","0.1169","0.0613","","","0.1697","0.1901","","","","","","0.968","","","","has coordinates,has disorder","180389","2020-10-21","18:00:00",""
"7205839","10.736","0.006","11.514","0.006","13.49","0.007","83.963","0.007","77.484","0.006","63.637","0.005","1458.5","1.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H32 N2 Ni O8 -","- C30 H32 N2 Ni O8 -","- C60 H64 N4 Ni2 O16 -","2","1","","Liu, Jian-Qiang; Wang, Yao-Yu; Huang, Yun-Sheng","Structural variability of Co(ii) and Ni(ii) entangled metal‒organic frameworks: effect of N-donor ligands and metal ions","CrystEngComm","2011","13","11","3733","","10.1039/c0ce00871k","","","0.71073","MoKα","","0.1324","0.0716","","","0.165","0.1998","","","","","","1.004","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205840","10.1829","0.0015","11.9666","0.0018","12.957","0.002","86.208","0.002","71.776","0.002","64.945","0.002","1354.5","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H29.26 Co N2 O7.63 -","- C29 H29.258 Co N2 O7.629 -","- C58 H58.516 Co2 N4 O15.258 -","2","1","","Liu, Jian-Qiang; Wang, Yao-Yu; Huang, Yun-Sheng","Structural variability of Co(ii) and Ni(ii) entangled metal‒organic frameworks: effect of N-donor ligands and metal ions","CrystEngComm","2011","13","11","3733","","10.1039/c0ce00871k","","","0.71073","MoKα","","0.0852","0.054","","","0.1435","0.1832","","","","","","0.951","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205841","7.66","0.003","10.26","0.004","12.88","0.005","110.07","0.005","93.73","0.005","105.24","0.005","903.8","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 N2 O4 Zn -","- C21 H16 N2 O4 Zn -","- C42 H32 N4 O8 Zn2 -","2","1","","Liu, Guang-Zhen; Xin, Ling-Yun; Wang, Li-Ya","Ancillary ligand-mediated syntheses and fluorescence properties of zinc(ii) complexes based on flexible benzene dicarboxylic acid","CrystEngComm","2011","13","8","3013","","10.1039/c0ce00873g","","","0.71073","MoKα","","0.0574","0.0466","","","0.1251","0.1337","","","","","","1.124","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205842","35.298","0.003","11.5573","0.0011","21.1145","0.0019","90","","96.523","0.001","90","","8557.9","1.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C88 H80 N8 O16 Zn4 -","- C88 H80 N8 O16 Zn4 -","- C352 H320 N32 O64 Zn16 -","4","1","","Liu, Guang-Zhen; Xin, Ling-Yun; Wang, Li-Ya","Ancillary ligand-mediated syntheses and fluorescence properties of zinc(ii) complexes based on flexible benzene dicarboxylic acid","CrystEngComm","2011","13","8","3013","","10.1039/c0ce00873g","","","0.71073","MoKα","","0.1378","0.0636","","","0.1432","0.1655","","","","","","1.017","","","","has coordinates,has disorder","180389","2020-10-21","18:00:00",""
"7205843","32.8723","0.0016","32.8723","0.0016","8.4085","0.0008","90","","90","","120","","7868.8","0.9","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C13 H12 N6 O5 Zn2 -","- C13 H12 N6 O5 Zn2 -","- C234 H216 N108 O90 Zn36 -","18","1","","Liu, Guang-Zhen; Xin, Ling-Yun; Wang, Li-Ya","Ancillary ligand-mediated syntheses and fluorescence properties of zinc(ii) complexes based on flexible benzene dicarboxylic acid","CrystEngComm","2011","13","8","3013","","10.1039/c0ce00873g","","","0.71073","MoKα","","0.0386","0.0288","","","0.0735","0.077","","","","","","1.076","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205844","32.207","0.006","13.378","0.003","15.871","0.003","90","","91.05","0.03","90","","6837","2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H60 Cd3 N6 O15.5 -","- C56 H54 Cd3 N6 O15.5 -","- C224 H216 Cd12 N24 O62 -","4","0.5","","Wang, Xin; Yao, Wei; Qi, Yan-Fei; Luo, Ming-Fa; Wang, Yong-Hui; Xie, Hong-Wei; Yu, Yang; Ma, Rui-Ying; Li, Yang-Guang","From ladder, net to framework: Coordination polymers based on Zn(ii)/Cd(ii) ions and mixed bicarboxyl- and bipyridine-containing linear ligands","CrystEngComm","2011","13","7","2542","","10.1039/c0ce00878h","","","0.71073","MoKα","","0.0899","0.063","","","0.1672","0.1826","","","","","","1.065","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7205845","11.64","0.002","20.436","0.004","9.7263","0.0019","90","","90","","90","","2313.6","0.8","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C24 H30 N4 O4 Zn -","- C24 H29 N4 O4 Zn -","- C96 H116 N16 O16 Zn4 -","4","0.5","","Wang, Xin; Yao, Wei; Qi, Yan-Fei; Luo, Ming-Fa; Wang, Yong-Hui; Xie, Hong-Wei; Yu, Yang; Ma, Rui-Ying; Li, Yang-Guang","From ladder, net to framework: Coordination polymers based on Zn(ii)/Cd(ii) ions and mixed bicarboxyl- and bipyridine-containing linear ligands","CrystEngComm","2011","13","7","2542","","10.1039/c0ce00878h","","","0.71073","MoKα","","0.0576","0.0509","","","0.1194","0.1234","","","","","","1.055","","","","has coordinates,has disorder","180389","2020-10-21","18:00:00",""
"7205846","16.91","0.003","5.8674","0.0012","17.368","0.003","90","","108.49","0.03","90","","1634.3","0.6","150","2","150","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C16 H22 Cd N2 O5 -","- C16 H20 Cd N2 O5 -","- C64 H80 Cd4 N8 O20 -","4","1","","Wang, Xin; Yao, Wei; Qi, Yan-Fei; Luo, Ming-Fa; Wang, Yong-Hui; Xie, Hong-Wei; Yu, Yang; Ma, Rui-Ying; Li, Yang-Guang","From ladder, net to framework: Coordination polymers based on Zn(ii)/Cd(ii) ions and mixed bicarboxyl- and bipyridine-containing linear ligands","CrystEngComm","2011","13","7","2542","","10.1039/c0ce00878h","","","0.71073","MoKα","","0.0333","0.0266","","","0.0644","0.0656","","","","","","1.098","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205847","10.677","0.002","10.741","0.002","12.069","0.002","81.66","0.03","89.72","0.03","68.68","0.03","1274","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H36 N2 O10 Zn -","- C21 H36 N2 O10 Zn -","- C42 H72 N4 O20 Zn2 -","2","1","","Wang, Xin; Yao, Wei; Qi, Yan-Fei; Luo, Ming-Fa; Wang, Yong-Hui; Xie, Hong-Wei; Yu, Yang; Ma, Rui-Ying; Li, Yang-Guang","From ladder, net to framework: Coordination polymers based on Zn(ii)/Cd(ii) ions and mixed bicarboxyl- and bipyridine-containing linear ligands","CrystEngComm","2011","13","7","2542","","10.1039/c0ce00878h","","","0.71073","MoKα","","0.0585","0.0441","","","0.1115","0.1197","","","","","","1.047","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205848","11.682","0.002","15.1662","0.0015","15.468","0.002","96.085","0.002","109.65","0.003","90.622","0.002","2563.2","0.6","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H34 Co2 N8 O20 -","- C48 H34 Co2 N8 O20 -","- C96 H68 Co4 N16 O40 -","2","1","","Liu, Hai-Yang; Yuan, Yong-Jun; Yu, Zhen-Tao; Zou, Zhi-Gang","Direct assembly of new cobalt(iii)-lanthanide(iii) heterometallic frameworks with NaCl-like topology","CrystEngComm","2011","13","7","2391","","10.1039/c0ce00881h","","","0.71073","MoKα","","0.0755","0.0592","","","0.1391","0.1443","","","","","","1.095","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205849","11.145","0.0015","12.424","0.002","22.18","0.0012","102.016","0.002","103.475","0.003","95.419","0.002","2888","0.6","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H74 Co2 Gd4 N18 O61 -","- C72 H74 Co2 Gd4 N18 O61 -","- C72 H74 Co2 Gd4 N18 O61 -","1","0.5","","Liu, Hai-Yang; Yuan, Yong-Jun; Yu, Zhen-Tao; Zou, Zhi-Gang","Direct assembly of new cobalt(iii)-lanthanide(iii) heterometallic frameworks with NaCl-like topology","CrystEngComm","2011","13","7","2391","","10.1039/c0ce00881h","","","0.71073","MoKα","","0.0825","0.0538","","","0.1111","0.1171","","","","","","1.02","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205850","11.0396","0.0013","12.511","0.0016","22.498","0.002","101.492","0.002","102.416","0.003","95.975","0.002","2938.6","0.6","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H74 Co2 La4 N18 O61 -","- C72 H74 Co2 La4 N18 O61 -","- C72 H74 Co2 La4 N18 O61 -","1","0.5","","Liu, Hai-Yang; Yuan, Yong-Jun; Yu, Zhen-Tao; Zou, Zhi-Gang","Direct assembly of new cobalt(iii)-lanthanide(iii) heterometallic frameworks with NaCl-like topology","CrystEngComm","2011","13","7","2391","","10.1039/c0ce00881h","","","0.71073","MoKα","","0.079","0.0547","","","0.1132","0.1187","","","","","","1.046","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205851","11.2397","0.0008","12.4964","0.0009","22.302","0.0016","102.114","0.001","103.41","0.002","95.597","0.001","2943.8","0.4","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H74 Co2 N18 O61 Sm4 -","- C72 H74 Co2 N18 O61 Sm4 -","- C72 H74 Co2 N18 O61 Sm4 -","1","0.5","","Liu, Hai-Yang; Yuan, Yong-Jun; Yu, Zhen-Tao; Zou, Zhi-Gang","Direct assembly of new cobalt(iii)-lanthanide(iii) heterometallic frameworks with NaCl-like topology","CrystEngComm","2011","13","7","2391","","10.1039/c0ce00881h","","","0.71073","MoKα","","0.0572","0.0373","","","0.085","0.0897","","","","","","1.004","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205852","11.1668","0.0011","12.4554","0.0012","22.2593","0.0015","101.986","0.001","103.319","0.002","95.548","0.001","2912.9","0.4","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H74 Co2 Eu4 N18 O61 -","- C72 H74 Co2 Eu4 N18 O61 -","- C72 H74 Co2 Eu4 N18 O61 -","1","0.5","","Liu, Hai-Yang; Yuan, Yong-Jun; Yu, Zhen-Tao; Zou, Zhi-Gang","Direct assembly of new cobalt(iii)-lanthanide(iii) heterometallic frameworks with NaCl-like topology","CrystEngComm","2011","13","7","2391","","10.1039/c0ce00881h","","","0.71073","MoKα","","0.0629","0.0438","","","0.1045","0.1095","","","","","","1.088","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7205853","17.4216","0.001","10.6092","0.0006","7.4959","0.0004","90","","90","","90","","1385.46","0.13","296","2","296","2","","","","","","","","5","I m a 2","I 2 -2a","46","","","","- C12 H10 Ba N2 O8 -","- C12 H11 Ba N2 O8 -","- C48 H44 Ba4 N8 O32 -","4","0.5","","Tang, Yun-Zhi; Zhou, Man; Wen, He-Rui; Cao, Zan; Wang, Xiao-Wei; Huang, Suai","Two novel coordination polymers constructed from 2,2′-bipyridine-3,3′-dicarboxylic acid 1,1′-dioxide ligands","CrystEngComm","2011","13","8","3040","","10.1039/c0ce00884b","","","0.71073","MoKα","","0.0156","0.0152","","","0.0387","0.0389","","","","","","1.173","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205854","13.831","0.002","13.831","0.002","27.458","0.008","90","","90","","90","","5252.6","1.9","296","2","296","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C12 H8 Cu N2 O7 -","- C12 H8 Cu N2 O7 -","- C192 H128 Cu16 N32 O112 -","16","0.5","","Tang, Yun-Zhi; Zhou, Man; Wen, He-Rui; Cao, Zan; Wang, Xiao-Wei; Huang, Suai","Two novel coordination polymers constructed from 2,2′-bipyridine-3,3′-dicarboxylic acid 1,1′-dioxide ligands","CrystEngComm","2011","13","8","3040","","10.1039/c0ce00884b","","","0.71073","MoKα","","0.059","0.0403","","","0.1102","0.1223","","","","","","1.031","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205855","14.0543","0.0003","6.1624","0.0002","15.0156","0.0005","90","","111.797","0.001","90","","1207.5","0.06","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","2","magnesium naproxen monohydrate","","- C28 H28 Mg O7 -","- C28 H28 Mg O7 -","- C56 H56 Mg2 O14 -","2","1","","Friščić, Tomislav; Halasz, Ivan; Strobridge, Fiona C.; Dinnebier, Robert E.; Stein, Robin S.; Fábián, László; Curfs, Caroline","A rational approach to screen for hydrated forms of the pharmaceutical derivative magnesium naproxen using liquid-assisted grinding","CrystEngComm","2011","13","9","3125","","10.1039/c0ce00894j","","","0.71073","MoKα","","0.0593","0.0438","","","0.0838","0.0914","","","","","","1.088","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205856","43.6732","0.0037","5.88876","0.00052","5.14629","0.00039","90","","90","","90","","1323.53","0.19","291","","291","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 Mg O10 -","- C28 H26 Mg O10 -","- C56 H52 Mg2 O20 -","2","0.5","","Friščić, Tomislav; Halasz, Ivan; Strobridge, Fiona C.; Dinnebier, Robert E.; Stein, Robin S.; Fábián, László; Curfs, Caroline","A rational approach to screen for hydrated forms of the pharmaceutical derivative magnesium naproxen using liquid-assisted grinding","CrystEngComm","2011","13","9","3125","","10.1039/c0ce00894j","powder diffraction","","1.54059","CuKα_1","","","","","","","","0.0253","","1.71","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205857","9.159","0.003","10.311","0.003","10.797","0.003","69.736","0.008","82.11","0.012","87.822","0.011","947.4","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H14 Cu4 Mo8 N10 O32 -","- C12 H14 Cu4 Mo8 N10 O32 -","- C12 H14 Cu4 Mo8 N10 O32 -","1","0.5","","Wu, Xiao-Yuan; Dong, Ping; Yu, Rongmin; Zhang, Qi-Kai; Kuang, Xiaofei; Chen, Shan-Ci; Lin, Qi-Pu; Lu, Can-Zhong","A 2D polyoxometalate-based complex: spin-canting and metamagnetism","CrystEngComm","2011","13","11","3686","","10.1039/c0ce00905a","","","0.71073","MoKα","","0.0461","0.0344","","","0.0958","0.1353","","","","","","1.157","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205858","29.394","0.016","5.317","0.002","18.588","0.01","90","","118.972","0.007","90","","2542","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H8 Cu2 N3 O2 -","- C14 H8 Cu2 N3 O2 -","- C112 H64 Cu16 N24 O16 -","8","1","","Fang, Zhen-Lan; Yu, Rong-Min; Zhang, Jie; Lu, Can-Zhong","Novel ligands and complexes in situ generated from the copper-mediated conversions of 2,5-bis(2-hydroxyphenyl)-1,3,4-oxadiazole: structures and magnetic properties","CrystEngComm","2011","13","12","4032","","10.1039/c0ce00907e","","","0.71073","MoKα","","0.0587","0.0437","","","0.1091","0.1276","","","","","","1.091","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205859","20.435","0.003","4.9321","0.0004","15.875","0.002","90","","105.577","0.005","90","","1541.2","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 Cu2 N4 O5 -","- C14 H14 Cu2 N4 O5 -","- C56 H56 Cu8 N16 O20 -","4","0.5","","Fang, Zhen-Lan; Yu, Rong-Min; Zhang, Jie; Lu, Can-Zhong","Novel ligands and complexes in situ generated from the copper-mediated conversions of 2,5-bis(2-hydroxyphenyl)-1,3,4-oxadiazole: structures and magnetic properties","CrystEngComm","2011","13","12","4032","","10.1039/c0ce00907e","","","0.71073","MoKα","","0.0672","0.0534","","","0.1552","0.1672","","","","","","1.073","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205860","6.8023","0.0011","12.19","0.002","14.598","0.002","79.24","0.001","77.46","0.003","80.735","0.002","1151.6","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H18 Ag N6 Nd O12 -","- C20 H18 Ag N6 Nd O12 -","- C40 H36 Ag2 N12 Nd2 O24 -","2","1","","Chen, Min; Chen, Man-Sheng; Okamura, Taka-aki; Lv, Mei-Fang; Sun, Wei-Yin; Ueyama, Norikazu","A series of silver(i)‒lanthanide(iii) heterometallic coordination polymers: syntheses, structures and photoluminescent properties","CrystEngComm","2011","13","11","3801","","10.1039/c0ce00921k","","","0.71073","MoKα","","0.0391","0.0384","","","0.1036","0.1045","","","","","","1.023","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205861","6.77","0.003","12.168","0.006","14.601","0.007","79.594","0.017","77.637","0.017","80.502","0.018","1145.5","0.9","200","","200","","","","","","","","","6","P -1","-P 1","2","(EuAg(L01)2(H2O)4)","","","- C20 H18 Ag Eu N6 O12 -","- C20 H18 Ag Eu N6 O12 -","- C40 H36 Ag2 Eu2 N12 O24 -","2","1","","Chen, Min; Chen, Man-Sheng; Okamura, Taka-aki; Lv, Mei-Fang; Sun, Wei-Yin; Ueyama, Norikazu","A series of silver(i)‒lanthanide(iii) heterometallic coordination polymers: syntheses, structures and photoluminescent properties","CrystEngComm","2011","13","11","3801","","10.1039/c0ce00921k","","","0.71075","MoKα","","0.0309","0.0279","","","0.069","0.0699","","","","","","1.087","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205862","6.755","0.003","12.104","0.004","14.524","0.005","79.526","0.013","77.666","0.014","80.439","0.015","1130.7","0.7","200","","200","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H18 Ag N6 O12 Tb -","- C20 H18 Ag N6 O12 Tb -","- C40 H36 Ag2 N12 O24 Tb2 -","2","1","","Chen, Min; Chen, Man-Sheng; Okamura, Taka-aki; Lv, Mei-Fang; Sun, Wei-Yin; Ueyama, Norikazu","A series of silver(i)‒lanthanide(iii) heterometallic coordination polymers: syntheses, structures and photoluminescent properties","CrystEngComm","2011","13","11","3801","","10.1039/c0ce00921k","","","0.71075","MoKα","","0.0262","0.022","","","0.0536","0.0543","","","","","","1.088","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205863","14.4621","0.001","17.0741","0.0011","9.1373","0.0006","90","","115.425","0.001","90","","2037.7","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H10 Ag N6 Nd O8 -","- C20 H10 Ag N6 Nd O8 -","- C80 H40 Ag4 N24 Nd4 O32 -","4","0.5","","Chen, Min; Chen, Man-Sheng; Okamura, Taka-aki; Lv, Mei-Fang; Sun, Wei-Yin; Ueyama, Norikazu","A series of silver(i)‒lanthanide(iii) heterometallic coordination polymers: syntheses, structures and photoluminescent properties","CrystEngComm","2011","13","11","3801","","10.1039/c0ce00921k","","","0.71073","MoKα","","0.0282","0.0273","","","0.0789","0.0798","","","","","","1.011","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205864","14.358","0.005","16.949","0.006","9.127","0.003","90","","115.676","0.015","90","","2001.8","1.2","200","","200","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H10 Ag Eu N6 O8 -","- C20 H10 Ag Eu N6 O8 -","- C80 H40 Ag4 Eu4 N24 O32 -","4","0.5","","Chen, Min; Chen, Man-Sheng; Okamura, Taka-aki; Lv, Mei-Fang; Sun, Wei-Yin; Ueyama, Norikazu","A series of silver(i)‒lanthanide(iii) heterometallic coordination polymers: syntheses, structures and photoluminescent properties","CrystEngComm","2011","13","11","3801","","10.1039/c0ce00921k","","","0.71075","MoKα","","0.0168","0.0162","","","0.0404","0.0406","","","","","","1.144","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205865","14.326","0.005","16.855","0.006","9.095","0.004","90","","115.654","0.017","90","","1979.6","1.3","200","","200","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H10 Ag N6 O8 Tb -","- C20 H10 Ag N6 O8 Tb -","- C80 H40 Ag4 N24 O32 Tb4 -","4","0.5","","Chen, Min; Chen, Man-Sheng; Okamura, Taka-aki; Lv, Mei-Fang; Sun, Wei-Yin; Ueyama, Norikazu","A series of silver(i)‒lanthanide(iii) heterometallic coordination polymers: syntheses, structures and photoluminescent properties","CrystEngComm","2011","13","11","3801","","10.1039/c0ce00921k","","","0.71075","MoKα","","0.0204","0.02","","","0.0492","0.0494","","","","","","1.1","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205866","7.58","0.002","9.975","0.003","14.591","0.006","92.161","0.014","92.42","0.013","109.51","0.012","1037.4","0.6","200","","200","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H14 Ag Er N6 O10 -","- C20 H14 Ag Er N6 O10 -","- C40 H28 Ag2 Er2 N12 O20 -","2","1","","Chen, Min; Chen, Man-Sheng; Okamura, Taka-aki; Lv, Mei-Fang; Sun, Wei-Yin; Ueyama, Norikazu","A series of silver(i)‒lanthanide(iii) heterometallic coordination polymers: syntheses, structures and photoluminescent properties","CrystEngComm","2011","13","11","3801","","10.1039/c0ce00921k","","","0.71075","MoKα","","0.0205","0.0192","","","0.0474","0.0477","","","","","","1.159","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205867","7.55","0.002","9.951","0.004","14.564","0.005","92.128","0.016","92.46","0.013","109.383","0.015","1029.7","0.6","200","","200","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H14 Ag N6 O10 Yb -","- C20 H14 Ag N6 O10 Yb -","- C40 H28 Ag2 N12 O20 Yb2 -","2","1","","Chen, Min; Chen, Man-Sheng; Okamura, Taka-aki; Lv, Mei-Fang; Sun, Wei-Yin; Ueyama, Norikazu","A series of silver(i)‒lanthanide(iii) heterometallic coordination polymers: syntheses, structures and photoluminescent properties","CrystEngComm","2011","13","11","3801","","10.1039/c0ce00921k","","","0.71075","MoKα","","0.0226","0.0214","","","0.0521","0.0524","","","","","","1.133","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205868","17.401","0.013","12.226","0.008","5.324","0.004","90","","106.19","0.011","90","","1087.7","1.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Ba Gd K Mo3 O12 -","- Ba Gd K Mo3 O12 -","- Ba4 Gd4 K4 Mo12 O48 -","4","0.5","","Meng, Xiangming; Lin, Zhoubin; Zhang, Lizhen; Huang, Yisheng; Wang, Guofu","Structure and spectral properties of Nd3±doped KBaGd(MoO4)3 crystal with a disorder structure","CrystEngComm","2011","13","12","4069","","10.1039/c0ce00922a","","","0.71073","MoKα","","0.0203","0.019","","","0.0468","0.0474","","","","","","1.064","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205869","16.0731","0.0006","5.4794","0.0002","21.8203","0.0008","90","","108.287","0.002","90","","1824.68","0.12","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H26 Ag3 N8 O12 Tb -","- C32 H26 Ag3 N8 O12 Tb -","- C64 H52 Ag6 N16 O24 Tb2 -","2","0.5","","Ma, Li; Qiu, Yong-Cai; Peng, Guo; Cai, Jin-Biao; Deng, Hong; Zeller, Matthias","Self-assembly of d‒f coordination frameworks based on 1H-benzimidazole-5-carboxylic acid: synthesis, structure and luminescence","CrystEngComm","2011","13","11","3852","3861","10.1039/c0ce00923g","","","0.71073","MoKα","","0.0496","0.0388","","","0.0863","0.0913","","","","","","1.012","","","","has coordinates","180548","2020-10-21","18:00:00",""
"7205870","8.8964","0.0009","12.3459","0.0013","13.86","0.0014","72.95","0.001","84.272","0.001","71.648","0.001","1381.3","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H19 Ag2 Eu N6 O9 -","- C26 H19 Ag2 Eu N6 O9 -","- C52 H38 Ag4 Eu2 N12 O18 -","2","1","","Ma, Li; Qiu, Yong-Cai; Peng, Guo; Cai, Jin-Biao; Deng, Hong; Zeller, Matthias","Self-assembly of d‒f coordination frameworks based on 1H-benzimidazole-5-carboxylic acid: synthesis, structure and luminescence","CrystEngComm","2011","13","11","3852","","10.1039/c0ce00923g","","","0.71073","MoKα","","0.0418","0.0352","","","0.079","0.0832","","","","","","1.045","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205871","15.993","0.002","5.3401","0.0007","18.709","0.002","90","","101.289","0.002","90","","1566.9","0.3","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C32 H20 Br Cu2 Er N8 O8 -","- C32 H20 Br Cu2 Er N8 O8 -","- C64 H40 Br2 Cu4 Er2 N16 O16 -","2","1","","Ma, Li; Qiu, Yong-Cai; Peng, Guo; Cai, Jin-Biao; Deng, Hong; Zeller, Matthias","Self-assembly of d‒f coordination frameworks based on 1H-benzimidazole-5-carboxylic acid: synthesis, structure and luminescence","CrystEngComm","2011","13","11","3852","","10.1039/c0ce00923g","","","0.71073","MoKα","","0.0342","0.0295","","","0.0634","0.0655","","","","","","0.991","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205872","16.1117","0.0014","5.3028","0.0005","18.7099","0.0017","90","","101.111","0.001","90","","1568.6","0.2","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C32 H20 Br Cu2 N8 O8 Yb -","- C32 H20 Br Cu2 N8 O8 Yb -","- C64 H40 Br2 Cu4 N16 O16 Yb2 -","2","1","","Ma, Li; Qiu, Yong-Cai; Peng, Guo; Cai, Jin-Biao; Deng, Hong; Zeller, Matthias","Self-assembly of d‒f coordination frameworks based on 1H-benzimidazole-5-carboxylic acid: synthesis, structure and luminescence","CrystEngComm","2011","13","11","3852","","10.1039/c0ce00923g","","","0.71073","MoKα","","0.0335","0.0307","","","0.0679","0.0692","","","","","","1.034","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205873","9.742","0.003","12.158","0.003","12.383","0.003","61.15","0.003","76.851","0.003","82.676","0.004","1250.7","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H15 Ag N6 O8 Tb -","- C25 H15 Ag N6 O8 Tb -","- C50 H30 Ag2 N12 O16 Tb2 -","2","1","","Ma, Li; Qiu, Yong-Cai; Peng, Guo; Cai, Jin-Biao; Deng, Hong; Zeller, Matthias","Self-assembly of d‒f coordination frameworks based on 1H-benzimidazole-5-carboxylic acid: synthesis, structure and luminescence","CrystEngComm","2011","13","11","3852","","10.1039/c0ce00923g","","","0.71073","MoKα","","0.0669","0.0524","","","0.1244","0.1338","","","","","","1.005","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205874","23.261","0.004","13.8565","0.0019","24.237","0.004","90","","106.222","0.002","90","","7501","2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C50 H85 Br6 Cl4 Cu7 N17 O9 -","- C50 H54 Br6 Cl4 Cu7 N17 O9 -","- C200 H216 Br24 Cl16 Cu28 N68 O36 -","4","0.5","","Xu, Yanqing; Xia, Peilei; Wang, Xiuteng; Wei, Wei; Zhang, Fanzhou; Hu, Changwen","Positional disorder of Cu(ii) ions in a cluster: a novel heptanuclear Cu(ii) core supported by 4-bromo-3,5-dimethylpyrazolate","CrystEngComm","2011","13","8","2820","","10.1039/c0ce00933d","","","0.71073","MoKα","","0.1055","0.0923","","","0.1666","0.1729","","","","","","1.147","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205875","24.3342","0.0013","22.3283","0.0012","14.4168","0.0008","90","","90","","90","","7833.2","0.7","296","2","296","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C54 H96 Br6 Cl4 Cu7 N20 O12 -","- C48 H68 Br6 Cl4 Cu7 N18 O10 -","- C192 H272 Br24 Cl16 Cu28 N72 O40 -","4","0.5","","Xu, Yanqing; Xia, Peilei; Wang, Xiuteng; Wei, Wei; Zhang, Fanzhou; Hu, Changwen","Positional disorder of Cu(ii) ions in a cluster: a novel heptanuclear Cu(ii) core supported by 4-bromo-3,5-dimethylpyrazolate","CrystEngComm","2011","13","8","2820","","10.1039/c0ce00933d","","","0.71073","MoKα","","0.0703","0.0462","","","0.1261","0.1417","","","","","","1.044","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205876","16.4547","0.0004","16.4547","0.0004","27.7701","0.0014","90","","90","","120","","6511.6","0.4","273","2","273","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C12 H15 Cu4 I4 N6 -","- C12 H15 Cu4 I4 N6 -","- C144 H180 Cu48 I48 N72 -","12","0.333333","","Cheng, Ying; Xu, Peng; Ding, You-Bang; Yin, Ye-Gao","Stoichiometry-dominated in situ formation of iodocuprate clusters and dimethyl-2,2′-biimidazoles as building units of coordination architectures","CrystEngComm","2011","13","7","2644","","10.1039/c0ce00938e","","","0.71073","MoKα","","0.0389","0.0317","","","0.0732","0.0761","","","","","","0.993","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205877","14.8878","0.0006","15.1363","0.0006","23.6357","0.0009","90","","90","","90","","5326.2","0.4","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H20 Cu4 I4 N8 -","- C16 H20 Cu4 I4 N8 -","- C128 H160 Cu32 I32 N64 -","8","1","","Cheng, Ying; Xu, Peng; Ding, You-Bang; Yin, Ye-Gao","Stoichiometry-dominated in situ formation of iodocuprate clusters and dimethyl-2,2′-biimidazoles as building units of coordination architectures","CrystEngComm","2011","13","7","2644","","10.1039/c0ce00938e","","","0.71073","MoKα","","0.0518","0.0366","","","0.0826","0.0908","","","","","","1.018","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205878","23.253","0.006","7.6111","0.0019","14.573","0.004","90","","90","","90","","2579.1","1.2","173","2","173","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C8 H5 Cd Cl N8 -","- C8 H5 Cd Cl N8 -","- C32 H20 Cd4 Cl4 N32 -","4","0.25","","Zhong, Di-Chang; Feng, Xiao-Long; Lu, Tong-Bu","Two organic‒inorganic hybrid frameworks with unusual inorganic and organic connectivity","CrystEngComm","2011","13","7","2201","","10.1039/c0ce00961j","","","0.71073","MoKα","","0.0604","0.0538","","","0.1459","0.1493","","","","","","0.994","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205879","8.7396","0.0014","9.1057","0.0015","10.0556","0.0016","74.388","0.002","82.547","0.002","77.733","0.002","750.9","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H16 Cd5 Cl6 N16 O2 -","- C18 H16 Cd5 Cl6 N16 O2 -","- C18 H16 Cd5 Cl6 N16 O2 -","1","0.5","","Zhong, Di-Chang; Feng, Xiao-Long; Lu, Tong-Bu","Two organic‒inorganic hybrid frameworks with unusual inorganic and organic connectivity","CrystEngComm","2011","13","7","2201","","10.1039/c0ce00961j","","","0.71073","MoKα","","0.0243","0.0201","","","0.0496","0.0518","","","","","","1.104","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205880","13.3278","0.0017","8.2658","0.001","10.1631","0.0013","90","","97.45","0.002","90","","1110.2","0.2","213","2","213","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","(((2PyHCH2PO3H)Mn(H2O))(ClO4))N","","","- C12 H18 Cl2 Mn N2 O16 P2 -","- C12 H18 Cl2 Mn N2 O16 P2 -","- C24 H36 Cl4 Mn2 N4 O32 P4 -","2","0.5","","Zavras, Athanasios; Fry, Julie A.; Beavers, Christine M.; Talbo, Gert H.; Richards, Anne F.","2-Pyridylmethylphosphonic acid: a flexible, multi-dentate ligand for metal phosphonates","CrystEngComm","2011","13","10","3551","","10.1039/c0ce00969e","","","0.71073","MoKα","","0.0893","0.0749","","","0.2358","0.2525","","","","","","1.169","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205881","13.398","0.003","8.2442","0.0019","10.04","0.002","90","","97.348","0.004","90","","1099.9","0.4","213","2","213","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","(2PyCH2PO3Mn(H2O)(ClO4))N","","","- C12 H20 Cl2 Co N2 O16 P2 -","- C12 H20 Cl2 Co N2 O16 P2 -","- C24 H40 Cl4 Co2 N4 O32 P4 -","2","0.5","","Zavras, Athanasios; Fry, Julie A.; Beavers, Christine M.; Talbo, Gert H.; Richards, Anne F.","2-Pyridylmethylphosphonic acid: a flexible, multi-dentate ligand for metal phosphonates","CrystEngComm","2011","13","10","3551","","10.1039/c0ce00969e","","","0.71073","MoKα","","0.0702","0.0486","","","0.1233","0.1396","","","","","","1.042","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205882","11.051","0.003","14.563","0.004","20.651","0.006","90","","92.526","0.006","90","","3320.3","1.6","213","2","213","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","(Fe4(PyHCH2PO3)4(H2O)12(Cl)(ClO4)7xH2O)","","","- C24 H54 Cl8 Fe4 N4 O53 P4 -","- C24 H52 Cl8 Fe4 N4 O53 P4 -","- C48 H104 Cl16 Fe8 N8 O106 P8 -","2","0.5","","Zavras, Athanasios; Fry, Julie A.; Beavers, Christine M.; Talbo, Gert H.; Richards, Anne F.","2-Pyridylmethylphosphonic acid: a flexible, multi-dentate ligand for metal phosphonates","CrystEngComm","2011","13","10","3551","","10.1039/c0ce00969e","","","0.71073","MoKα","","0.0971","0.0666","","","0.1756","0.2009","","","","","","0.996","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7205883","23.6196","0.0007","23.6196","0.0007","9.5024","0.0003","90","","90","","120","","4591","0.2","173","2","173","2","","","","","","","","7","R -3 :H","-R 3","148","(((2PyHCH2PO3H)Fe2)(ClO4))n","","","- C18 H24 Cl3 Fe N3 O21 P3 -","- C18 H24 Cl3 Fe N3 O21 P3 -","- C108 H144 Cl18 Fe6 N18 O126 P18 -","6","0.333333","","Zavras, Athanasios; Fry, Julie A.; Beavers, Christine M.; Talbo, Gert H.; Richards, Anne F.","2-Pyridylmethylphosphonic acid: a flexible, multi-dentate ligand for metal phosphonates","CrystEngComm","2011","13","10","3551","","10.1039/c0ce00969e","","","0.71073","MoKα","","0.0664","0.0407","","","0.0823","0.0904","","","","","","1.022","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205884","13.517","0.0008","8.2636","0.0004","10.391","0.0004","90","","97.108","0.004","90","","1151.75","0.1","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","(((2PyHCH2PO3H)Fe(H2O))ClO4)n","","","- C12 H20 Cl2 Fe N2 O16 P2 -","- C12 H20 Cl2 Fe N2 O15.98 P2 -","- C24 H40 Cl4 Fe2 N4 O31.96 P4 -","2","0.5","","Zavras, Athanasios; Fry, Julie A.; Beavers, Christine M.; Talbo, Gert H.; Richards, Anne F.","2-Pyridylmethylphosphonic acid: a flexible, multi-dentate ligand for metal phosphonates","CrystEngComm","2011","13","10","3551","","10.1039/c0ce00969e","","","0.71073","MoKα","","0.1014","0.0803","","","0.2291","0.2536","","","","","","1.04","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205885","13.9027","0.0019","9.8255","0.0014","7.9178","0.0011","90","","104.871","0.002","90","","1045.4","0.3","213","2","213","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","((2PyCH2PO3)AgPb(NO3))n","","","- C6 H6 Ag N2 O6 P Pb -","- C6 H6 Ag N2 O6 P Pb -","- C24 H24 Ag4 N8 O24 P4 Pb4 -","4","1","","Zavras, Athanasios; Fry, Julie A.; Beavers, Christine M.; Talbo, Gert H.; Richards, Anne F.","2-Pyridylmethylphosphonic acid: a flexible, multi-dentate ligand for metal phosphonates","CrystEngComm","2011","13","10","3551","","10.1039/c0ce00969e","","","0.71073","MoKα","","0.0557","0.0425","","","0.0993","0.108","","","","","","1.075","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205886","13.144","0.01","9.394","0.008","16.244","0.013","90","","108.812","0.015","90","","1899","3","298","2","298","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","((2PyHCH2PO3)Ag3(SO3CF3)2)N","","","- C8 H7 Ag3 F6 N O9 P S2 -","- C8 H7 Ag3 F6 N O9 P S2 -","- C32 H28 Ag12 F24 N4 O36 P4 S8 -","4","1","","Zavras, Athanasios; Fry, Julie A.; Beavers, Christine M.; Talbo, Gert H.; Richards, Anne F.","2-Pyridylmethylphosphonic acid: a flexible, multi-dentate ligand for metal phosphonates","CrystEngComm","2011","13","10","3551","","10.1039/c0ce00969e","","","0.71073","MoKα","","0.1294","0.0446","","","0.0848","0.118","","","","","","1.003","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205887","5.4028","0.0004","10.136","0.0008","11.8724","0.0009","73.613","0.001","84.532","0.001","82.593","0.001","617.36","0.08","213","2","213","2","","","","","","","","6","P -1","-P 1","2","((2PyHCH2PO3H2)Pb(NO3)2)N","","","- C6 H8 N3 O9 P Pb -","- C6 H8 N3 O9 P Pb -","- C12 H16 N6 O18 P2 Pb2 -","2","1","","Zavras, Athanasios; Fry, Julie A.; Beavers, Christine M.; Talbo, Gert H.; Richards, Anne F.","2-Pyridylmethylphosphonic acid: a flexible, multi-dentate ligand for metal phosphonates","CrystEngComm","2011","13","10","3551","","10.1039/c0ce00969e","","","0.71073","MoKα","","0.0406","0.0366","","","0.0922","0.0955","","","","","","1.022","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205888","7.637","0.0015","14.692","0.003","9.4326","0.0019","90","","98.76","0.03","90","","1046","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H9 N3 O S -","- C10 H9 N3 O S -","- C40 H36 N12 O4 S4 -","4","1","","Khavasi, Hamid Reza; Salimi, Ali Reza; Eshtiagh-Hosseini, Hossein; Amini, Mostafa M.","C‒H⋯π synthon repetitivity in coordination compounds, established from single-crystal and powder diffraction","CrystEngComm","2011","13","11","3710","","10.1039/c0ce00981d","","","0.71073","MoKα","","0.0692","0.057","","","0.1414","0.1496","","","","","","1.076","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205889","7.753","0.0016","33.697","0.007","9.3858","0.0019","90","","93.8","0.03","90","","2446.7","0.9","298","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Cl2 Hg N6 O2 S2 -","- C20 H18 Cl2 Hg N6 O2 S2 -","- C80 H72 Cl8 Hg4 N24 O8 S8 -","4","1","","Khavasi, Hamid Reza; Salimi, Ali Reza; Eshtiagh-Hosseini, Hossein; Amini, Mostafa M.","C‒H⋯π synthon repetitivity in coordination compounds, established from single-crystal and powder diffraction","CrystEngComm","2011","13","11","3710","","10.1039/c0ce00981d","","","0.71073","MoKα","","0.0727","0.0565","","","0.1414","0.1514","","","","","","1.08","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205890","7.798","0.005","34.458","0.024","9.449","0.007","90","","94.53","0.005","90","","2531","3","298","","298","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","from C:/gsas/MyWork/TTT4-EDITED.CIF","","","- C20 H18 Br2 Hg N6 O2 S2 -","- C20 H18 Br2 Hg N6 O2 S2 -","- C80 H72 Br8 Hg4 N24 O8 S8 -","4","1","","Khavasi, Hamid Reza; Salimi, Ali Reza; Eshtiagh-Hosseini, Hossein; Amini, Mostafa M.","C‒H⋯π synthon repetitivity in coordination compounds, established from single-crystal and powder diffraction","CrystEngComm","2011","13","11","3710","","10.1039/c0ce00981d","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","0.08258","","1.4","","","","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205891","17.4171","0.0018","10.4197","0.0011","8.7144","0.0009","90","","92.169","0.008","90","","1580.4","0.3","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C10 H9 Hg I2 N3 O S -","- C10 H9 Hg I2 N3 O S -","- C40 H36 Hg4 I8 N12 O4 S4 -","4","1","","Khavasi, Hamid Reza; Salimi, Ali Reza; Eshtiagh-Hosseini, Hossein; Amini, Mostafa M.","C‒H⋯π synthon repetitivity in coordination compounds, established from single-crystal and powder diffraction","CrystEngComm","2011","13","11","3710","","10.1039/c0ce00981d","","","0.71073","MoKα","","0.1153","0.0681","","","0.1417","0.1616","","","","","","1.106","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7205892","14.44","0.004","17.799","0.004","19.906","0.005","92.501","0.004","103.026","0.004","110.987","0.004","4610","2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H172 As4 N24 Ni24 O174 W34 -","- C24 H96 As4 N24 Ni24 O174 W34 -","- C24 H96 As4 N24 Ni24 O174 W34 -","1","0.5","","Zhao, Junwei; Shi, Dongying; Chen, Lijuan; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Two 1-D multi-nickel substituted arsenotungstate aggregates","CrystEngComm","2011","13","10","3462","","10.1039/c0ce00983k","","","0.71073","MoKα","","0.0642","0.0412","","","0.0863","0.0959","","","","","","1.017","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205893","14.96","0.006","16.918","0.006","21.193","0.008","88.785","0.006","79.214","0.006","72.936","0.005","5034","3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H174 As4 N30 Ni24 O163 W34 -","- C30 H116 As4 N30 Ni24 O163 W34 -","- C30 H116 As4 N30 Ni24 O163 W34 -","1","0.5","","Zhao, Junwei; Shi, Dongying; Chen, Lijuan; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Two 1-D multi-nickel substituted arsenotungstate aggregates","CrystEngComm","2011","13","10","3462","","10.1039/c0ce00983k","","","0.71073","MoKα","","0.0562","0.0417","","","0.0979","0.1031","","","","","","1.064","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205894","6.0496","0.0013","8.1335","0.0017","19.475","0.004","84.322","0.005","81.261","0.004","89.672","0.005","942.4","0.3","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C44 H40 Cu2 N4 O10 -","- C44 H40 Cu2 N4 O10 -","- C44 H40 Cu2 N4 O10 -","1","1","","New, Siu Yee; Wu, Xuan; Bai, Shi-Qiang; Koh, Lip Lin; Hor, T. S. Andy; Xue, Feng","Lipid-bilayer-mimicking solid-state structures of Cu(ii) and Ni(ii) with l-tryptophan and l-tyrosine Schiff base derivatives","CrystEngComm","2011","13","12","4228","","10.1039/c0ce00986e","","","0.71073","MoKα","","0.0549","0.0521","","","0.129","0.1304","","","","","","1.127","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205895","7.0688","0.0011","7.4648","0.0012","21.049","0.004","90","","96.734","0.004","90","","1103","0.3","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H26 N2 Ni O7 -","- C23 H26 N2 Ni O7 -","- C46 H52 N4 Ni2 O14 -","2","1","","New, Siu Yee; Wu, Xuan; Bai, Shi-Qiang; Koh, Lip Lin; Hor, T. S. Andy; Xue, Feng","Lipid-bilayer-mimicking solid-state structures of Cu(ii) and Ni(ii) with l-tryptophan and l-tyrosine Schiff base derivatives","CrystEngComm","2011","13","12","4228","","10.1039/c0ce00986e","","","0.71073","MoKα","","0.0558","0.0472","","","0.0992","0.1039","","","","","","1.058","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205896","6.9571","0.0005","7.5601","0.0005","41.523","0.003","90","","93.349","0.001","90","","2180.2","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H26 N Ni O8.5 -","- C21 H26 N Ni O8.5 -","- C84 H104 N4 Ni4 O34 -","4","2","","New, Siu Yee; Wu, Xuan; Bai, Shi-Qiang; Koh, Lip Lin; Hor, T. S. Andy; Xue, Feng","Lipid-bilayer-mimicking solid-state structures of Cu(ii) and Ni(ii) with l-tryptophan and l-tyrosine Schiff base derivatives","CrystEngComm","2011","13","12","4228","","10.1039/c0ce00986e","","","0.71073","MoKα","","0.0452","0.0422","","","0.0958","0.0971","","","","","","1.12","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205934","10.311","0.0015","14.363","0.002","17.633","0.003","90","","98.889","0.015","90","","2580","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H27.5 Co N5 O5.25 -","- C25 H27.5 Co N5 O5.25 -","- C100 H110 Co4 N20 O21 -","4","1","","Liu, Ying-Ying; Wang, Zhi-Hui; Yang, Jin; Liu, Bo; Liu, Yun-Yu; Ma, Jian-Fang","A series of coordination polymers based on reduced Schiff base multidentate anions and bis(imidazole) ligands: syntheses, structures and photoluminescence","CrystEngComm","2011","13","11","3811","","10.1039/c1ce05019b","","","0.71073","MoKα","","0.1042","0.0586","","","0.1279","0.1427","","","","","","1.017","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205935","21.832","0.003","8.627","0.005","25.84","0.004","90","","100.013","0.004","90","","4793","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H52 N10 O9 Zn2 -","- C50 H52 N10 O9 Zn2 -","- C200 H208 N40 O36 Zn8 -","4","0.5","","Liu, Ying-Ying; Wang, Zhi-Hui; Yang, Jin; Liu, Bo; Liu, Yun-Yu; Ma, Jian-Fang","A series of coordination polymers based on reduced Schiff base multidentate anions and bis(imidazole) ligands: syntheses, structures and photoluminescence","CrystEngComm","2011","13","11","3811","","10.1039/c1ce05019b","","","1.54184","CuKα","","0.114","0.0834","","","0.2194","0.2437","","","","","","1.139","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205936","20.8269","0.0004","8.8702","0.0002","26.6257","0.0006","90","","102.073","0.002","90","","4810","0.18","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H52 Co2 N10 O9 -","- C50 H52 Co2 N10 O9 -","- C200 H208 Co8 N40 O36 -","4","0.5","","Liu, Ying-Ying; Wang, Zhi-Hui; Yang, Jin; Liu, Bo; Liu, Yun-Yu; Ma, Jian-Fang","A series of coordination polymers based on reduced Schiff base multidentate anions and bis(imidazole) ligands: syntheses, structures and photoluminescence","CrystEngComm","2011","13","11","3811","","10.1039/c1ce05019b","","","1.54184","CuKα","","0.0887","0.0543","","","0.1407","0.1605","","","","","","1.036","","","","has coordinates,has disorder","180390","2020-10-21","18:00:00",""
"7205937","21.332","0.001","8.884","0.003","26.584","0.006","90","","103.11","0.004","90","","4907","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H52 Cd2 N10 O9 -","- C50 H52 Cd2 N10 O9 -","- C200 H208 Cd8 N40 O36 -","4","0.5","","Liu, Ying-Ying; Wang, Zhi-Hui; Yang, Jin; Liu, Bo; Liu, Yun-Yu; Ma, Jian-Fang","A series of coordination polymers based on reduced Schiff base multidentate anions and bis(imidazole) ligands: syntheses, structures and photoluminescence","CrystEngComm","2011","13","11","3811","","10.1039/c1ce05019b","","","0.71069","MoKα","","0.1155","0.051","","","0.1127","0.1279","","","","","","0.973","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205938","10.2094","0.0003","14.3216","0.0003","17.7147","0.0005","90","","99.17","0.003","90","","2557.05","0.12","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H27 N5 O5 Zn -","- C25 H27 N5 O5 Zn -","- C100 H108 N20 O20 Zn4 -","4","1","","Liu, Ying-Ying; Wang, Zhi-Hui; Yang, Jin; Liu, Bo; Liu, Yun-Yu; Ma, Jian-Fang","A series of coordination polymers based on reduced Schiff base multidentate anions and bis(imidazole) ligands: syntheses, structures and photoluminescence","CrystEngComm","2011","13","11","3811","","10.1039/c1ce05019b","","","0.71073","MoKα","","0.0929","0.0414","","","0.0899","0.0979","","","","","","0.825","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205939","9.617","0.003","10.173","0.005","11.458","0.004","108.033","0.005","97.015","0.003","105.519","0.005","1001","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 Cd N3 O5 -","- C20 H18 Cd N3 O5 -","- C40 H36 Cd2 N6 O10 -","2","1","","Liu, Ying-Ying; Wang, Zhi-Hui; Yang, Jin; Liu, Bo; Liu, Yun-Yu; Ma, Jian-Fang","A series of coordination polymers based on reduced Schiff base multidentate anions and bis(imidazole) ligands: syntheses, structures and photoluminescence","CrystEngComm","2011","13","11","3811","","10.1039/c1ce05019b","","","0.71069","MoKα","","0.0513","0.0299","","","0.0637","0.068","","","","","","0.906","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205940","18.5487","0.0016","9.8461","0.001","13.2847","0.0011","90","","90","","90","","2426.2","0.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C25 H27 N5 O5 Zn -","- C25 H27 N5 O5 Zn -","- C100 H108 N20 O20 Zn4 -","4","1","","Liu, Ying-Ying; Wang, Zhi-Hui; Yang, Jin; Liu, Bo; Liu, Yun-Yu; Ma, Jian-Fang","A series of coordination polymers based on reduced Schiff base multidentate anions and bis(imidazole) ligands: syntheses, structures and photoluminescence","CrystEngComm","2011","13","11","3811","","10.1039/c1ce05019b","","","0.71073","MoKα","","0.1305","0.0377","","","0.0398","0.0506","","","","","","0.81","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205941","18.3946","0.0007","9.8739","0.0003","13.2948","0.0005","90","","90","","90","","2414.69","0.15","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C25 H27 Co N5 O5 -","- C25 H27 Co N5 O5 -","- C100 H108 Co4 N20 O20 -","4","1","","Liu, Ying-Ying; Wang, Zhi-Hui; Yang, Jin; Liu, Bo; Liu, Yun-Yu; Ma, Jian-Fang","A series of coordination polymers based on reduced Schiff base multidentate anions and bis(imidazole) ligands: syntheses, structures and photoluminescence","CrystEngComm","2011","13","11","3811","","10.1039/c1ce05019b","","","0.71073","MoKα","","0.0876","0.0349","","","0.0436","0.0478","","","","","","0.807","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205942","12.8208","0.0012","9.8968","0.0007","17.2355","0.0015","90","","105.965","0.01","90","","2102.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 Cd N3 O7 -","- C20 H24 Cd N3 O7 -","- C80 H96 Cd4 N12 O28 -","4","1","","Liu, Ying-Ying; Wang, Zhi-Hui; Yang, Jin; Liu, Bo; Liu, Yun-Yu; Ma, Jian-Fang","A series of coordination polymers based on reduced Schiff base multidentate anions and bis(imidazole) ligands: syntheses, structures and photoluminescence","CrystEngComm","2011","13","11","3811","","10.1039/c1ce05019b","","","0.71073","MoKα","","0.0424","0.0286","","","0.0659","0.0688","","","","","","0.981","","","","has coordinates,has disorder","180390","2020-10-21","18:00:00",""
"7205943","13.7551","0.0007","12.4113","0.0007","16.3819","0.0008","90","","110.267","0.005","90","","2623.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H25 N5 O6 Zn -","- C26 H25 N5 O6 Zn -","- C104 H100 N20 O24 Zn4 -","4","1","","Liu, Ying-Ying; Wang, Zhi-Hui; Yang, Jin; Liu, Bo; Liu, Yun-Yu; Ma, Jian-Fang","A series of coordination polymers based on reduced Schiff base multidentate anions and bis(imidazole) ligands: syntheses, structures and photoluminescence","CrystEngComm","2011","13","11","3811","","10.1039/c1ce05019b","","","0.71073","MoKα","","0.146","0.0434","","","0.0563","0.0669","","","","","","0.822","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205944","14.081","0.005","14.731","0.003","22.623","0.004","90","","101.225","0.004","90","","4603","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H46 Cd2 N6 O17 -","- C42 H42 Cd2 N6 O17 -","- C168 H168 Cd8 N24 O68 -","4","0.5","","Liu, Ying-Ying; Wang, Zhi-Hui; Yang, Jin; Liu, Bo; Liu, Yun-Yu; Ma, Jian-Fang","A series of coordination polymers based on reduced Schiff base multidentate anions and bis(imidazole) ligands: syntheses, structures and photoluminescence","CrystEngComm","2011","13","11","3811","","10.1039/c1ce05019b","","","0.71069","MoKα","","0.0695","0.0398","","","0.0876","0.0933","","","","","","0.941","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205945","8.7682","0.001","16.858","0.0019","13.7225","0.0015","90","","94.213","0.002","90","","2022.9","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H16 Cu4 I5 N3 -","- C8 H16 Cu4 I5 N3 -","- C32 H64 Cu16 I20 N12 -","4","1","","Song, Jiao; Hou, Yajie; Zhang, Lifang; Fu, Yunlong","Synthesis and photoluminescent properties of two 2D and 3D iodocuprates modified by a protonated ligand","CrystEngComm","2011","13","11","3750","","10.1039/c1ce05020f","","","0.71073","MoKα","","0.0268","0.0223","","","0.0486","0.0504","","","","","","1.01","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205946","13.0234","0.0003","13.0234","0.0003","61.997","0.002","90","","90","","120","","9106.5","0.4","298","2","298","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C12 H25 Cu7 I8 N4 -","- C12 H25 Cu7 I8 N4 -","- C144 H300 Cu84 I96 N48 -","12","0.333333","","Song, Jiao; Hou, Yajie; Zhang, Lifang; Fu, Yunlong","Synthesis and photoluminescent properties of two 2D and 3D iodocuprates modified by a protonated ligand","CrystEngComm","2011","13","11","3750","","10.1039/c1ce05020f","","","0.71073","MoKα","","0.0369","0.0327","","","0.103","0.1049","","","","","","1.1","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205947","9.8839","0.0004","18.237","0.0008","18.0818","0.0008","90","","90","","90","","3259.3","0.2","223","2","223","2","","","","","","","","4","P b c n","-P 2n 2ab","60","Cobalt(ii) formate DEF solvate","","","- C12 H12 Co6 O24 -","- C12 H12 Co6 O24 -","- C48 H48 Co24 O96 -","4","0.5","","Kim, Hyunuk; Sun, Yinyong; Kim, Yonghwi; Kajiwara, Takashi; Yamashita, Masahiro; Kim, Kimoon","Metal‒organic frameworks with rare topologies: lonsdaleite-type metal formates and their magnetic properties","CrystEngComm","2011","13","7","2197","","10.1039/c1ce05031a","","","0.71073","MoKα","","0.0595","0.0405","","","0.0901","0.0956","","","","","","0.968","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205948","9.8715","0.0009","18.2678","0.0015","18.1613","0.0016","90","","90","","90","","3275","0.5","213","2","213","2","","","","","","","","4","P b c n","-P 2n 2ab","60","magnesium(ii) formate DEF solvate","","","- C12 H12 Mg6 O24 -","- C12 H12 Mg6 O24 -","- C48 H48 Mg24 O96 -","4","0.5","","Kim, Hyunuk; Sun, Yinyong; Kim, Yonghwi; Kajiwara, Takashi; Yamashita, Masahiro; Kim, Kimoon","Metal‒organic frameworks with rare topologies: lonsdaleite-type metal formates and their magnetic properties","CrystEngComm","2011","13","7","2197","","10.1039/c1ce05031a","","","0.71073","MoKα","","0.0708","0.0471","","","0.1081","0.116","","","","","","0.966","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205949","9.868","0.0004","18.2476","0.0008","18.14","0.0008","90","","90","","90","","3266.4","0.2","223","2","223","2","","","","","","","","4","P b c n","-P 2n 2ab","60","Zinc(ii) formate DEF solvate","","","- C12 H12 O24 Zn6 -","- C12 H12 O24 Zn6 -","- C48 H48 O96 Zn24 -","4","0.5","","Kim, Hyunuk; Sun, Yinyong; Kim, Yonghwi; Kajiwara, Takashi; Yamashita, Masahiro; Kim, Kimoon","Metal‒organic frameworks with rare topologies: lonsdaleite-type metal formates and their magnetic properties","CrystEngComm","2011","13","7","2197","","10.1039/c1ce05031a","","","0.71073","MoKα","","0.0336","0.0298","","","0.0832","0.0849","","","","","","1.041","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205950","27.198","0.005","13.261","0.003","13.222","0.003","90","","90","","90","","4768.8","1.8","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C18 H58 Br8 Cd3 N10 O13 S4 -","- C18 H48 Br8 Cd3 N10 O13 S4 -","- C72 H192 Br32 Cd12 N40 O52 S16 -","4","0.5","","Jin, Juan; Jia, Ming-Jun; Peng, Yu; Yu, Jie-Hui; Xu, Ji-Qing","New organically decorated cadmium halides incorporating the second or the third inorganic anionic groups","CrystEngComm","2011","13","8","2942","","10.1039/c1ce05038a","","","0.71073","MoKα","","0.0558","0.0435","","","0.1119","0.1167","","","","","","1.035","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205951","4.2002","0.0008","20.158","0.004","12.441","0.003","90","","96.58","0.03","90","","1046.4","0.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C4 H7 Cd I N2 O S2 -","- C4 H7 Cd I N2 O S2 -","- C16 H28 Cd4 I4 N8 O4 S8 -","4","1","","Jin, Juan; Jia, Ming-Jun; Peng, Yu; Yu, Jie-Hui; Xu, Ji-Qing","New organically decorated cadmium halides incorporating the second or the third inorganic anionic groups","CrystEngComm","2011","13","8","2942","","10.1039/c1ce05038a","","","0.71073","MoKα","","0.0254","0.0211","","","0.0412","0.0423","","","","","","1.038","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205952","14.791","0.004","14.791","0.004","5.696","0.003","90","","90","","90","","1246.1","0.8","295","2","295","2","","","","","","","","6","P 42","P 4c","77","","","","- C5 H10 Mn2 N O12 P2 -","- C5 H10 Mn2 N O12 P2 -","- C20 H40 Mn8 N4 O48 P8 -","4","1","","Dong, Da-Peng; Sun, Zhen-Gang; Tong, Fei; Zhu, Yan-Yu; Chen, Kai; Jiao, Cheng-Qi; Wang, Cheng-Lin; Li, Chao; Wang, Wei-Nan","Synthesis, structure, surface photovoltage and magnetic properties of a novel 3D homochiral manganese phosphonate with right-handed helical chains","CrystEngComm","2011","13","10","3317","","10.1039/c1ce05053b","","","0.71073","MoKα","","0.048","0.0356","","","0.0738","0.0787","","","","","","1.05","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205953","10.628","0.002","35.255","0.007","15.059","0.003","90","","110.5","0.03","90","","5285","2","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H42 Cu4 N8 O12 S3 -","- C52 H40 Cu4 N8 O12 S3 -","- C208 H160 Cu16 N32 O48 S12 -","4","0.5","","Deng, Zhao-Peng; Zhu, Zhi-Biao; Zhang, Xian-Fa; Huo, Li-Hua; Zhao, Hui; Gao, Shan","The first in situ organosulfonate-templated 3-fold interpenetrating framework built from rare tetrahedral [Cu4(μ4-SO4)] SBUs","CrystEngComm","2011","13","11","3895","","10.1039/c1ce05059a","","","0.71073","MoKα","","0.0854","0.0698","","","0.1832","0.1977","","","","","","1.043","","","","has coordinates,has disorder","180390","2020-10-21","18:00:00",""
"7205954","11.536","0.0004","12.945","0.0006","14.784","0.0006","75.239","0.004","71.308","0.003","67.165","0.004","1905.77","0.15","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H42 Ag6 N24 O44 Si W12 -","- C36 H36 Ag6 N24 O44 Si W12 -","- C36 H36 Ag6 N24 O44 Si W12 -","1","0.5","","Zhang, Peng-peng; Peng, Jun; Pang, Hai-jun; Sha, Jing-quan; Zhu, Min; Wang, Dan-dan; Liu, Ming-guan","The factors affecting on the assembly of Ag‒H2biim system: size, charge or shape of polyanions?","CrystEngComm","2011","13","11","3832","","10.1039/c1ce05093a","","","0.71069","MoKα","","0.0924","0.0705","","","0.1958","0.2063","","","","","","1.029","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205955","11.5322","0.0003","12.9295","0.0006","14.7825","0.0006","75.286","0.004","71.406","0.003","67.39","0.003","1906.66","0.14","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H41 Ag6 N24 O44 P W12 -","- C36 H36 Ag6 N24 O44 P W12 -","- C36 H36 Ag6 N24 O44 P W12 -","1","0.5","","Zhang, Peng-peng; Peng, Jun; Pang, Hai-jun; Sha, Jing-quan; Zhu, Min; Wang, Dan-dan; Liu, Ming-guan","The factors affecting on the assembly of Ag‒H2biim system: size, charge or shape of polyanions?","CrystEngComm","2011","13","11","3832","","10.1039/c1ce05093a","","","0.71069","MoKα","","0.0895","0.0699","","","0.1852","0.194","","","","","","1.026","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205956","11.684","0.001","17.636","0.0014","25.363","0.002","96.332","0.001","98.081","0.0011","101.984","0.0011","5008.8","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H36 Ag6 N24 O74 P2 W18 -","- C36 H36 Ag6 N24 O74 P2 W18 -","- C72 H72 Ag12 N48 O148 P4 W36 -","2","1","","Zhang, Peng-peng; Peng, Jun; Pang, Hai-jun; Sha, Jing-quan; Zhu, Min; Wang, Dan-dan; Liu, Ming-guan","The factors affecting on the assembly of Ag‒H2biim system: size, charge or shape of polyanions?","CrystEngComm","2011","13","11","3832","","10.1039/c1ce05093a","","","0.71069","MoKα","","0.0959","0.0574","","","0.1397","0.1787","","","","","","0.928","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205957","10.414","0.003","10.461","0.003","10.556","0.003","72.438","0.004","74.048","0.004","78.329","0.003","1045.2","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H28 Ag2 N16 O21 W6 -","- C24 H24 Ag2 N16 O21 W6 -","- C24 H24 Ag2 N16 O21 W6 -","1","0.5","","Zhang, Peng-peng; Peng, Jun; Pang, Hai-jun; Sha, Jing-quan; Zhu, Min; Wang, Dan-dan; Liu, Ming-guan","The factors affecting on the assembly of Ag‒H2biim system: size, charge or shape of polyanions?","CrystEngComm","2011","13","11","3832","","10.1039/c1ce05093a","","","0.71069","MoKα","","0.0754","0.0623","","","0.1838","0.2004","","","","","","1.073","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205958","17.322","0.002","17.322","0.002","27.263","0.006","90","","90","","90","","8180","2","293","2","293","2","","","","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C95 H105 Cd4 N22 O46 -","- C77 H52 Cd4 N16 O20 -","- C154 H104 Cd8 N32 O40 -","2","0.125","","Lin, Zu-Jin; Liu, Tian-Fu; Xu, Bo; Han, Li-Wei; Huang, Yuan-Biao; Cao, Rong","Pore-size tuning in double-pillared metal‒organic frameworks containing cadmium clusters","CrystEngComm","2011","13","10","3321","","10.1039/c1ce05099k","","","0.71073","MoKα","","0.0598","0.0571","","","0.1646","0.1669","","","","","","1.107","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205959","17.322","0.002","17.322","0.002","23.419","0.005","90","","90","","90","","7026.9","1.9","293","2","293","2","","","","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C99.5 H120.5 Cd4 N15.5 O35.5 -","- C77 H52 Cd4 N8 O20 -","- C154 H104 Cd8 N16 O40 -","2","0.125","","Lin, Zu-Jin; Liu, Tian-Fu; Xu, Bo; Han, Li-Wei; Huang, Yuan-Biao; Cao, Rong","Pore-size tuning in double-pillared metal‒organic frameworks containing cadmium clusters","CrystEngComm","2011","13","10","3321","","10.1039/c1ce05099k","","","0.71073","MoKα","","0.0616","0.0601","","","0.1674","0.1687","","","","","","1.097","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205960","17.433","0.005","17.433","0.005","16.137","0.007","90","","90","","90","","4904","3","293","2","293","2","","","","","","","","5","P 4/m","-P 4","83","","","","- C134 H185 Cd4 N19 O51 -","- C101 H68 Cd4 N8 O20 -","- C101 H68 Cd4 N8 O20 -","1","0.125","","Lin, Zu-Jin; Liu, Tian-Fu; Xu, Bo; Han, Li-Wei; Huang, Yuan-Biao; Cao, Rong","Pore-size tuning in double-pillared metal‒organic frameworks containing cadmium clusters","CrystEngComm","2011","13","10","3321","","10.1039/c1ce05099k","","","0.71073","MoKα","","0.0636","0.0606","","","0.168","0.171","","","","","","1.071","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205961","17.3376","0.0008","17.3376","0.0008","27.957","0.002","90","","90","","90","","8403.7","0.8","293","2","293","2","","","","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C109 H134 Cd4 N16 O33 -","- C85 H68 Cd4 N8 O20 -","- C170 H136 Cd8 N16 O40 -","2","0.125","","Lin, Zu-Jin; Liu, Tian-Fu; Xu, Bo; Han, Li-Wei; Huang, Yuan-Biao; Cao, Rong","Pore-size tuning in double-pillared metal‒organic frameworks containing cadmium clusters","CrystEngComm","2011","13","10","3321","","10.1039/c1ce05099k","","","0.71073","MoKα","","0.1002","0.0978","","","0.2602","0.2617","","","","","","1.056","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205962","6.3854","0.0009","8.8391","0.0012","26.129","0.005","90","","90","","90","","1474.8","0.4","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H11 Ag N4 O6 -","- C13 H11 Ag N4 O6 -","- C52 H44 Ag4 N16 O24 -","4","1","","Wu, Chia-Jun; Sie, Ming-Jhe; Hsiao, Hui-Lin; Chen, Jhy-Der","Diverse Ag(i) complexes constructed from methyl-4-(5-halopyrimidin-2-ylcarbamoyl)benzoate ligands: roles of the halogen atom and anion","CrystEngComm","2011","13","12","4121","","10.1039/c1ce05102d","","","0.71073","MoKα","","0.0961","0.0484","","","0.0769","0.0921","","","","","","1.019","","","","has coordinates,has disorder","180390","2020-10-21","18:00:00",""
"7205963","7.55","0.001","10.075","0.0011","12.7547","0.0017","89.399","0.01","80.098","0.011","71.088","0.01","903.1","0.2","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H10 Ag2 Cl N5 O9 -","- C13 H10 Ag2 Cl N5 O9 -","- C26 H20 Ag4 Cl2 N10 O18 -","2","1","","Wu, Chia-Jun; Sie, Ming-Jhe; Hsiao, Hui-Lin; Chen, Jhy-Der","Diverse Ag(i) complexes constructed from methyl-4-(5-halopyrimidin-2-ylcarbamoyl)benzoate ligands: roles of the halogen atom and anion","CrystEngComm","2011","13","12","4121","","10.1039/c1ce05102d","","","0.71073","MoKα","","0.0433","0.0313","","","0.0706","0.0767","","","","","","1.042","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205964","7.5949","0.0009","10.1026","0.0014","12.8377","0.0016","89.295","0.01","79.941","0.011","70.855","0.01","915.2","0.2","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H10 Ag2 Br N5 O9 -","- C13 H10 Ag2 Br N5 O9 -","- C26 H20 Ag4 Br2 N10 O18 -","2","1","","Wu, Chia-Jun; Sie, Ming-Jhe; Hsiao, Hui-Lin; Chen, Jhy-Der","Diverse Ag(i) complexes constructed from methyl-4-(5-halopyrimidin-2-ylcarbamoyl)benzoate ligands: roles of the halogen atom and anion","CrystEngComm","2011","13","12","4121","","10.1039/c1ce05102d","","","0.71073","MoKα","","0.0802","0.0407","","","0.0692","0.0806","","","","","","1.006","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205965","7.4597","0.0007","8.0105","0.0006","13.5106","0.001","88.204","0.007","86.411","0.008","80.948","0.008","795.53","0.11","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H10 Ag I N4 O6 -","- C13 H10 Ag I N4 O6 -","- C26 H20 Ag2 I2 N8 O12 -","2","1","","Wu, Chia-Jun; Sie, Ming-Jhe; Hsiao, Hui-Lin; Chen, Jhy-Der","Diverse Ag(i) complexes constructed from methyl-4-(5-halopyrimidin-2-ylcarbamoyl)benzoate ligands: roles of the halogen atom and anion","CrystEngComm","2011","13","12","4121","","10.1039/c1ce05102d","","","0.71073","MoKα","","0.0293","0.0271","","","0.0679","0.0695","","","","","","1.052","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205966","13.106","0.003","10.729","0.0018","13.434","0.002","90","","106.41","0.02","90","","1812.1","0.6","295","2","295","2","","","","","","","","8","P 1 2/n 1","-P 2yac","13","","","","- C15 H14 Ag B Br F4 N3 O3.5 -","- C15 H14 Ag B Br F4 N3 O3.5 -","- C60 H56 Ag4 B4 Br4 F16 N12 O14 -","4","1","","Wu, Chia-Jun; Sie, Ming-Jhe; Hsiao, Hui-Lin; Chen, Jhy-Der","Diverse Ag(i) complexes constructed from methyl-4-(5-halopyrimidin-2-ylcarbamoyl)benzoate ligands: roles of the halogen atom and anion","CrystEngComm","2011","13","12","4121","","10.1039/c1ce05102d","","","0.71073","MoKα","","0.1247","0.0549","","","0.0876","0.1082","","","","","","1.019","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205967","9.8556","0.0012","10.8736","0.0014","15.375","0.002","92.219","0.009","95.523","0.009","94.117","0.01","1634.1","0.4","295","2","295","2","","","","","","","","8","P -1","-P 1","2","","","","- C54 H48 Ag2 B2 F8 I4 N12 O14 -","- C54 H48 Ag2 B2 F8 I4 N12 O14 -","- C54 H48 Ag2 B2 F8 I4 N12 O14 -","1","0.5","","Wu, Chia-Jun; Sie, Ming-Jhe; Hsiao, Hui-Lin; Chen, Jhy-Der","Diverse Ag(i) complexes constructed from methyl-4-(5-halopyrimidin-2-ylcarbamoyl)benzoate ligands: roles of the halogen atom and anion","CrystEngComm","2011","13","12","4121","","10.1039/c1ce05102d","","","0.71073","MoKα","","0.0853","0.0459","","","0.09","0.1044","","","","","","1.013","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205968","11.6037","0.0019","11.6541","0.0016","13.053","0.003","73.417","0.013","77.433","0.014","72.924","0.013","1599.8","0.5","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C52 H40 Ag2 F12 I4 N12 O12 P2 -","- C52 H40 Ag2 F12 I4 N12 O12 P2 -","- C52 H40 Ag2 F12 I4 N12 O12 P2 -","1","0.5","","Wu, Chia-Jun; Sie, Ming-Jhe; Hsiao, Hui-Lin; Chen, Jhy-Der","Diverse Ag(i) complexes constructed from methyl-4-(5-halopyrimidin-2-ylcarbamoyl)benzoate ligands: roles of the halogen atom and anion","CrystEngComm","2011","13","12","4121","","10.1039/c1ce05102d","","","0.71073","MoKα","","0.0542","0.0507","","","0.1381","0.1425","","","","","","1.035","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205969","11.6733","0.001","12.0649","0.0008","12.8161","0.0019","77.832","0.011","74.406","0.01","74.254","0.008","1654.7","0.3","295","2","295","2","","","","","","","","8","P -1","-P 1","2","","","","- C52 H40 Ag2 F12 I4 N12 O12 Sb2 -","- C52 H40 Ag2 F12 I4 N12 O12 Sb2 -","- C52 H40 Ag2 F12 I4 N12 O12 Sb2 -","1","0.5","","Wu, Chia-Jun; Sie, Ming-Jhe; Hsiao, Hui-Lin; Chen, Jhy-Der","Diverse Ag(i) complexes constructed from methyl-4-(5-halopyrimidin-2-ylcarbamoyl)benzoate ligands: roles of the halogen atom and anion","CrystEngComm","2011","13","12","4121","","10.1039/c1ce05102d","","","0.71073","MoKα","","0.0519","0.0429","","","0.0999","0.1059","","","","","","1.068","","","","has coordinates,has disorder","180390","2020-10-21","18:00:00",""
"7205970","13.8954","0.0015","13.8954","0.0015","17.787","0.002","90","","90","","90","","3434.4","0.7","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C20 H28 In N0 O8 -","- C20 H28 In O8 -","- C80 H112 In4 O32 -","4","0.5","","Wang, Liping; Song, Tianyou; Huang, Liangliang; Xu, Jianing; Li, Chao; Ji, Caixia; Shan, Liang; Wang, Li","A porous chiral In-MOF with anionic-type diamond network: synthesis, structure and nitrogen gas adsorption","CrystEngComm","2011","13","12","4005","","10.1039/c1ce05110e","","","0.71073","MoKα","","0.1052","0.0658","","","0.176","0.1867","","","","","","0.932","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205971","11.5278","0.0015","12.7865","0.0015","15.6274","0.0017","65.755","0.009","74.11","0.009","65.063","0.009","1890.3","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H40 Cl N5 Ni2 O12 -","- C36 H40 Cl N5 Ni2 O12 -","- C72 H80 Cl2 N10 Ni4 O24 -","2","1","","Cucos, Andrei; Ursu, Andrei; Madalan, Augustin M.; Duhayon, Carine; Sutter, Jean-Pascal; Andruh, Marius","Co-crystallization of coordination compounds through second-coordination sphere interactions","CrystEngComm","2011","13","11","3756","","10.1039/c1ce05112a","","","0.71073","MoKα","","0.1276","0.0585","","","0.0768","0.0894","","","","","","0.93","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205972","11.6795","0.0012","12.8729","0.0014","15.7482","0.0019","66.151","0.009","73.257","0.009","64.351","0.008","1933.7","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H40 F6 N5 Ni2 O8 P -","- C36 H40 F6 N5 Ni2 O8 P -","- C72 H80 F12 N10 Ni4 O16 P2 -","2","1","","Cucos, Andrei; Ursu, Andrei; Madalan, Augustin M.; Duhayon, Carine; Sutter, Jean-Pascal; Andruh, Marius","Co-crystallization of coordination compounds through second-coordination sphere interactions","CrystEngComm","2011","13","11","3756","","10.1039/c1ce05112a","","","0.71073","MoKα","","0.1366","0.0603","","","0.0821","0.0964","","","","","","0.892","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205973","13.7451","0.0005","14.0632","0.0005","22.8343","0.0009","90","","95.607","0.003","90","","4392.8","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H44 Cl N5 Ni2 O13 -","- C45 H44 Cl N5 Ni2 O13 -","- C180 H176 Cl4 N20 Ni8 O52 -","4","1","","Cucos, Andrei; Ursu, Andrei; Madalan, Augustin M.; Duhayon, Carine; Sutter, Jean-Pascal; Andruh, Marius","Co-crystallization of coordination compounds through second-coordination sphere interactions","CrystEngComm","2011","13","11","3756","","10.1039/c1ce05112a","","","0.71073","MoKα","","0.0755","0.0476","","","0.0971","0.106","","","","","","1.016","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205974","14.8436","0.0013","15.6993","0.0012","17.3575","0.0013","97.492","0.006","97.828","0.007","91.792","0.007","3968","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H84 Cl3 N11 Ni4 O28 -","- C72 H84 Cl3 N11 Ni4 O28 -","- C144 H168 Cl6 N22 Ni8 O56 -","2","1","","Cucos, Andrei; Ursu, Andrei; Madalan, Augustin M.; Duhayon, Carine; Sutter, Jean-Pascal; Andruh, Marius","Co-crystallization of coordination compounds through second-coordination sphere interactions","CrystEngComm","2011","13","11","3756","","10.1039/c1ce05112a","","","0.71073","MoKα","","0.1251","0.0563","","","0.0828","0.0961","","","","","","0.899","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205975","13.8843","0.0008","23.6202","0.001","14.7348","0.0008","90","","114.441","0.004","90","","4399.2","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H48 Cl N5 Ni2 O12 -","- C44 H48 Cl N5 Ni2 O12 -","- C176 H192 Cl4 N20 Ni8 O48 -","4","1","","Cucos, Andrei; Ursu, Andrei; Madalan, Augustin M.; Duhayon, Carine; Sutter, Jean-Pascal; Andruh, Marius","Co-crystallization of coordination compounds through second-coordination sphere interactions","CrystEngComm","2011","13","11","3756","","10.1039/c1ce05112a","","","0.71073","MoKα","","0.0984","0.0662","","","0.1716","0.1897","","","","","","1.035","","","","has coordinates,has disorder","180390","2020-10-21","18:00:00",""
"7205976","10.9775","0.0009","12.3684","0.0009","12.8226","0.001","63.924","0.005","69.868","0.006","79.319","0.006","1467","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H62 Cr N11 Ni2 O10 S4 -","- C46 H54 Cr N11 Ni2 O10 S4 -","- C46 H54 Cr N11 Ni2 O10 S4 -","1","0.5","","Cucos, Andrei; Ursu, Andrei; Madalan, Augustin M.; Duhayon, Carine; Sutter, Jean-Pascal; Andruh, Marius","Co-crystallization of coordination compounds through second-coordination sphere interactions","CrystEngComm","2011","13","11","3756","","10.1039/c1ce05112a","","","0.71073","MoKα","","0.0813","0.0484","","","0.1062","0.1153","","","","","","0.924","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205977","7.4463","0.0005","16.4541","0.0016","25.4253","0.0016","90","","90","","90","","3115.2","0.4","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C23 H26 Au Cr N8 O4 S4 -","- C23 H26 Au Cr N8 O4 S4 -","- C92 H104 Au4 Cr4 N32 O16 S16 -","4","1","","Cucos, Andrei; Ursu, Andrei; Madalan, Augustin M.; Duhayon, Carine; Sutter, Jean-Pascal; Andruh, Marius","Co-crystallization of coordination compounds through second-coordination sphere interactions","CrystEngComm","2011","13","11","3756","","10.1039/c1ce05112a","","","0.71073","MoKα","","0.1246","0.0552","","","0.0623","0.0786","","","","","","0.701","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205978","14.6905","0.0008","8.0472","0.0004","15.8688","0.0002","90","","112.929","0.007","90","","1727.74","0.16","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C4 H20 Be3 N2 O12 P4 -","- C4 H20 Be3 N2 O12 P4 -","- C16 H80 Be12 N8 O48 P16 -","4","0.5","","Luo, Xiuchao; Luo, Daibing; Gong, Maochu; Chen, Yaoqiang; Lin, Zhien","(C2H8N)2[Be3(HPO3)4]: a low-density beryllium phosphite with large 16-membered rings and helical channels","CrystEngComm","2011","13","11","3646","","10.1039/c1ce05117b","","","0.71073","MoKα","","0.0486","0.0398","","","0.0896","0.0939","","","","","","1.107","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205979","8.0951","0.0012","12.3444","0.0018","15.87","0.002","108.903","0.003","94.498","0.003","102.542","0.002","1445.4","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H36 Ag F6 N4 O2 P -","- C27 H36 Ag F6 N4 O2 P -","- C54 H72 Ag2 F12 N8 O4 P2 -","2","1","","Liu, Qing-Xiang; Yu, Jie; Zhao, Xiao-Jun; Liu, Shu-Weng; Yang, Xiao-Qiong; Li, Kang-Ying; Wang, Xiu-Guang","Mercury(ii), copper(ii) and silver(i) complexes with ether or diether functionalized bis-NHC ligands: synthesis and structural studies","CrystEngComm","2011","13","12","4086","","10.1039/c1ce05134b","","","0.71073","MoKα","","0.0983","0.056","","","0.1384","0.1667","","","","","","1.045","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205980","11.475","0.003","17.199","0.005","19.604","0.004","90","","117.849","0.012","90","","3420.9","1.6","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H32 Hg2 I4 N4 O2 S -","- C24 H32 Hg2 I4 N4 O2 S -","- C96 H128 Hg8 I16 N16 O8 S4 -","4","1","","Liu, Qing-Xiang; Yu, Jie; Zhao, Xiao-Jun; Liu, Shu-Weng; Yang, Xiao-Qiong; Li, Kang-Ying; Wang, Xiu-Guang","Mercury(ii), copper(ii) and silver(i) complexes with ether or diether functionalized bis-NHC ligands: synthesis and structural studies","CrystEngComm","2011","13","12","4086","","10.1039/c1ce05134b","","","0.71073","MoKα","","0.1002","0.0807","","","0.192","0.2077","","","","","","1.002","","","","has coordinates,has disorder","180390","2020-10-21","18:00:00",""
"7205981","20.465","0.006","11.488","0.004","19.833","0.009","90","","115.192","0.004","90","","4219","3","296","2","296","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C30 H46 Cu Hg I4 N4 O3 S2 -","- C30 H46 Cu Hg I4 N4 O3 S2 -","- C120 H184 Cu4 Hg4 I16 N16 O12 S8 -","4","0.5","","Liu, Qing-Xiang; Yu, Jie; Zhao, Xiao-Jun; Liu, Shu-Weng; Yang, Xiao-Qiong; Li, Kang-Ying; Wang, Xiu-Guang","Mercury(ii), copper(ii) and silver(i) complexes with ether or diether functionalized bis-NHC ligands: synthesis and structural studies","CrystEngComm","2011","13","12","4086","","10.1039/c1ce05134b","","","0.71073","MoKα","","0.1232","0.0753","","","0.1843","0.2161","","","","","","1.059","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205982","13.4814","0.0009","15.3581","0.0011","19.0334","0.0013","90","","90","","90","","3940.8","0.5","296","2","296","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C26 H36 Hg2 I6 N4 O -","- C26 H36 Hg2 I6 N4 O -","- C104 H144 Hg8 I24 N16 O4 -","4","0.5","","Liu, Qing-Xiang; Yu, Jie; Zhao, Xiao-Jun; Liu, Shu-Weng; Yang, Xiao-Qiong; Li, Kang-Ying; Wang, Xiu-Guang","Mercury(ii), copper(ii) and silver(i) complexes with ether or diether functionalized bis-NHC ligands: synthesis and structural studies","CrystEngComm","2011","13","12","4086","","10.1039/c1ce05134b","","","0.71073","MoKα","","0.0382","0.0283","","","0.0627","0.0679","","","","","","0.981","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205983","11.51","0.002","11.811","0.002","15.423","0.003","84.823","0.003","87.271","0.003","81.578","0.003","2064.3","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H38 Hg2 I3 N4 O4.5 -","- C36 H37 Hg2 I3 N4 O4.5 -","- C72 H74 Hg4 I6 N8 O9 -","2","1","","Liu, Qing-Xiang; Yu, Jie; Zhao, Xiao-Jun; Liu, Shu-Weng; Yang, Xiao-Qiong; Li, Kang-Ying; Wang, Xiu-Guang","Mercury(ii), copper(ii) and silver(i) complexes with ether or diether functionalized bis-NHC ligands: synthesis and structural studies","CrystEngComm","2011","13","12","4086","","10.1039/c1ce05134b","","","0.71073","MoKα","","0.0801","0.0618","","","0.1653","0.1789","","","","","","1.028","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205984","13.5458","0.0008","18.2469","0.0011","16.9521","0.001","90","","111.154","0.001","90","","3907.7","0.4","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H33 Hg2 I4 N4 O2.5 S0.5 -","- C27 H33 Hg2 I4 N4 O2.5 S0.5 -","- C108 H132 Hg8 I16 N16 O10 S2 -","4","1","","Liu, Qing-Xiang; Yu, Jie; Zhao, Xiao-Jun; Liu, Shu-Weng; Yang, Xiao-Qiong; Li, Kang-Ying; Wang, Xiu-Guang","Mercury(ii), copper(ii) and silver(i) complexes with ether or diether functionalized bis-NHC ligands: synthesis and structural studies","CrystEngComm","2011","13","12","4086","","10.1039/c1ce05134b","","","0.71073","MoKα","","0.0497","0.0331","","","0.0859","0.0931","","","","","","1.039","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7205985","10.0498","0.0011","10.5779","0.0008","11.5045","0.0008","90","","92.026","0.004","90","","1222.23","0.18","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-Fluorobenzoic acid‒4-acetylpyridine (1/1)","","- C14 H12 F N O3 -","- C14 H12 F N O3 -","- C56 H48 F4 N4 O12 -","4","1","","Thomas, Lynne H.; Craig, Gavin A.; Gutmann, Matthias J.; Parkin, Andrew; Shankland, Kenneth; Wilson, Chick C.","Conformational polymorphism of the molecular complex of 3-fluorobenzoic acid with 4-acetylpyridine","CrystEngComm","2011","13","10","3349","","10.1039/c1ce05139c","","","0.71073","MoKα","","","0.035","","","","0.0986","","","","","","1.046","","","","has coordinates,has disorder","180390","2020-10-21","18:00:00",""
"7205986","10.0714","0.0015","10.6513","0.0012","11.632","0.0013","90","","91.677","0.005","90","","1247.3","0.3","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 F N O3 -","- C14 H12 F N O3 -","- C56 H48 F4 N4 O12 -","4","1","","Thomas, Lynne H.; Craig, Gavin A.; Gutmann, Matthias J.; Parkin, Andrew; Shankland, Kenneth; Wilson, Chick C.","Conformational polymorphism of the molecular complex of 3-fluorobenzoic acid with 4-acetylpyridine","CrystEngComm","2011","13","10","3349","","10.1039/c1ce05139c","","","0.71073","MoKα","","0.0863","0.0399","","","","0.117","","","","","","1.029","","","","has coordinates,has disorder","180390","2020-10-21","18:00:00",""
"7205987","7.92","0.0011","6.9633","0.0009","21.918","0.004","90","","95.337","0.005","90","","1203.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-fluorobenzoic acid 4-acetylpyridine","","- C14 H12 F N O3 -","- C14 H12 F N O3 -","- C56 H48 F4 N4 O12 -","4","1","","Thomas, Lynne H.; Craig, Gavin A.; Gutmann, Matthias J.; Parkin, Andrew; Shankland, Kenneth; Wilson, Chick C.","Conformational polymorphism of the molecular complex of 3-fluorobenzoic acid with 4-acetylpyridine","CrystEngComm","2011","13","10","3349","","10.1039/c1ce05139c","","","0.71073","MoKα","","0.0622","0.0405","","","","0.1084","","","","","","1.041","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205988","8.0544","0.0012","6.942","0.001","22.058","0.004","90","","95.99","0.007","90","","1226.6","0.3","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 F N O3 -","- C14 H12 F N O3 -","- C56 H48 F4 N4 O12 -","4","1","","Thomas, Lynne H.; Craig, Gavin A.; Gutmann, Matthias J.; Parkin, Andrew; Shankland, Kenneth; Wilson, Chick C.","Conformational polymorphism of the molecular complex of 3-fluorobenzoic acid with 4-acetylpyridine","CrystEngComm","2011","13","10","3349","","10.1039/c1ce05139c","","","0.71073","MoKα","","0.087","0.0459","","","","0.1314","","","","","","1.016","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205989","10.046","0.002","10.573","0.002","11.461","0.002","90","","91.16","0.02","90","","1217.1","0.4","30","2","30","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 F N O3 -","- C14 H12 F N O3 -","- C56 H48 F4 N4 O12 -","4","1","","Thomas, Lynne H.; Craig, Gavin A.; Gutmann, Matthias J.; Parkin, Andrew; Shankland, Kenneth; Wilson, Chick C.","Conformational polymorphism of the molecular complex of 3-fluorobenzoic acid with 4-acetylpyridine","CrystEngComm","2011","13","10","3349","","10.1039/c1ce05139c","","neutron","","neutron","","0.0743","0.0743","","","","0.1865","","","","","","1.051","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205990","10.105","0.004","10.734","0.004","11.806","0.004","90","","91.08","0.03","90","","1280.3","0.8","300","2","300","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-fluorobenzoic acid 4-acetylpyridine","","- C14 H12 F N O3 -","- C14 H12 F N O3 -","- C56 H48 F4 N4 O12 -","4","1","","Thomas, Lynne H.; Craig, Gavin A.; Gutmann, Matthias J.; Parkin, Andrew; Shankland, Kenneth; Wilson, Chick C.","Conformational polymorphism of the molecular complex of 3-fluorobenzoic acid with 4-acetylpyridine","CrystEngComm","2011","13","10","3349","","10.1039/c1ce05139c","","neutron","","neutron","","0.0952","0.0952","","","","0.2415","","","","","","1.141","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205991","7.9892","0.0015","6.9703","0.0014","21.947","0.004","90","","95.67","0.012","90","","1216.2","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-fluorobenzoic acid 4-acetylpyridine","","- C14 H12 F N O3 -","- C14 H12 F N O3 -","- C56 H48 F4 N4 O12 -","4","1","","Thomas, Lynne H.; Craig, Gavin A.; Gutmann, Matthias J.; Parkin, Andrew; Shankland, Kenneth; Wilson, Chick C.","Conformational polymorphism of the molecular complex of 3-fluorobenzoic acid with 4-acetylpyridine","CrystEngComm","2011","13","10","3349","","10.1039/c1ce05139c","","neutron","","neutron","","0.0962","0.0962","","","","0.2423","","","","","","0.995","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205992","8.2118","0.0011","5.068","0.0007","38.683","0.005","90","","93.264","0.006","90","","1607.3","0.4","120","2","120","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","Isonicotinamide:azelaic acid","","- C15 H22 N2 O5 -","- C15 H22 N2 O5 -","- C60 H88 N8 O20 -","4","1","","Thompson, Laura J.; Voguri, Raja S.; Male, Louise; Tremayne, Maryjane","The crystal structures and melting point properties of isonicotinamide cocrystals with alkanediacids HO2C(CH2)n−2CO2H n = 7‒9","CrystEngComm","2011","13","12","4188","","10.1039/c1ce05160a","","","0.71073","MoKα","","0.1217","0.088","","","0.1995","0.225","","","","","","1.185","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205993","8.2223","0.0005","5.1437","0.0003","33.389","0.002","90","","93.873","0.003","90","","1408.9","0.15","120","2","120","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","Isonicotinamide:pimelic acid","","- C13 H18 N2 O5 -","- C13 H18 N2 O5 -","- C52 H72 N8 O20 -","4","1","","Thompson, Laura J.; Voguri, Raja S.; Male, Louise; Tremayne, Maryjane","The crystal structures and melting point properties of isonicotinamide cocrystals with alkanediacids HO2C(CH2)n−2CO2H n = 7‒9","CrystEngComm","2011","13","12","4188","","10.1039/c1ce05160a","","","0.71073","MoKα","","0.0901","0.0557","","","0.1184","0.1337","","","","","","1.077","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205994","8.9413","0.0015","9.5366","0.0013","10.1347","0.0017","86.653","0.011","66.031","0.007","66.571","0.01","719.1","0.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","Isonicotinamide:suberic acid","","- C14 H20 N2 O5 -","- C14 H20 N2 O5 -","- C28 H40 N4 O10 -","2","1","","Thompson, Laura J.; Voguri, Raja S.; Male, Louise; Tremayne, Maryjane","The crystal structures and melting point properties of isonicotinamide cocrystals with alkanediacids HO2C(CH2)n−2CO2H n = 7‒9","CrystEngComm","2011","13","12","4188","","10.1039/c1ce05160a","","","0.71073","MoKα","","0.1055","0.0724","","","0.1604","0.1837","","","","","","1.105","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205995","11.8722","0.0004","12.9955","0.0004","8.1575","0.0002","90","","90","","90","","1258.58","0.07","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C7 H4 Cl2 Cs2 N2 O5 -","- C7 H4 Cl2 Cs2 N2 O5 -","- C28 H16 Cl8 Cs8 N8 O20 -","4","0.5","","Molčanov, Krešimir; Sabljić, Igor; Kojić-Prodić, Biserka","Face-to-face π-stacking in the multicomponent crystals of chloranilic acid, alkali hydrogenchloranilates, and water","CrystEngComm","2011","13","12","4211","","10.1039/c1ce05161j","","x-ray","0.71073","MoKα","","","0.0579","","","","0.1652","","","","","","0.879","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205996","9.3773","0.0004","9.3823","0.0004","9.9299","0.0004","93.075","0.003","97.838","0.003","118.98","0.004","749.85","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H8 Cl3 Cs O9 -","- C9 H8 Cl3 Cs O9 -","- C18 H16 Cl6 Cs2 O18 -","2","1","","Molčanov, Krešimir; Sabljić, Igor; Kojić-Prodić, Biserka","Face-to-face π-stacking in the multicomponent crystals of chloranilic acid, alkali hydrogenchloranilates, and water","CrystEngComm","2011","13","12","4211","","10.1039/c1ce05161j","","","1.54179","CuKα","","","0.024","","","","0.0637","","","","","","1.033","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205997","9.8219","0.0002","7.0831","0.0002","19.955","0.0004","90","","90.85","0.002","90","","1388.11","0.06","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H9 Cl2 N4 Na O6 -","- C8 H9 Cl2 N4 Na O6 -","- C32 H36 Cl8 N16 Na4 O24 -","4","1","","Molčanov, Krešimir; Sabljić, Igor; Kojić-Prodić, Biserka","Face-to-face π-stacking in the multicomponent crystals of chloranilic acid, alkali hydrogenchloranilates, and water","CrystEngComm","2011","13","12","4211","","10.1039/c1ce05161j","","x-ray","1.54184","CuKα","","","0.046","","","","0.1223","","","","","","1.045","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205998","9.2357","0.0004","9.2416","0.0004","9.8443","0.0004","92.646","0.003","98.035","0.003","118.378","0.004","725.87","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H8 Cl3 O9 Rb -","- C9 H8 Cl3 O9 Rb -","- C18 H16 Cl6 O18 Rb2 -","2","1","","Molčanov, Krešimir; Sabljić, Igor; Kojić-Prodić, Biserka","Face-to-face π-stacking in the multicomponent crystals of chloranilic acid, alkali hydrogenchloranilates, and water","CrystEngComm","2011","13","12","4211","","10.1039/c1ce05161j","","","1.54179","CuKα","","","0.0547","","","","0.1583","","","","","","1.067","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205999","29.2672","0.0013","6.2707","0.0002","7.4449","0.0002","90","","95.612","0.004","90","","1359.78","0.08","290","","290","","","","","","","","","5","C 1 2 1","C 2y","5","anilinium sulphate","","","- C12 H16 N2 O4 S -","- C12 H16 N2 O4 S -","- C48 H64 N8 O16 S4 -","4","1","","Matulková, Irena; Cihelka, Jaroslav; Fejfarová, Karla; Dušek, Michal; Pojarová, Michaela; Vaněk, Přemysl; Kroupa, Jan; Šála, Michal; Krupková, Radmila; Němec, Ivan","Semi-organic salts of aniline with inorganic acids: prospective materials for the second harmonic generation","CrystEngComm","2011","13","12","4131","","10.1039/c1ce05170a","","","1.54184","CuKα","","0.0515","0.0476","","","0.1187","0.1223","","","","1.72","1.72","1.68","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206000","9.412","0.0009","9.0979","0.0007","17.819","0.002","90","","98.053","0.01","90","","1510.8","0.3","295","","295","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Anilinium(1+) selenate dihydrate","","","- C12 H20 N2 O6 Se -","- C12 H20 N2 O6 Se -","- C48 H80 N8 O24 Se4 -","4","0.5","","Matulková, Irena; Cihelka, Jaroslav; Fejfarová, Karla; Dušek, Michal; Pojarová, Michaela; Vaněk, Přemysl; Kroupa, Jan; Šála, Michal; Krupková, Radmila; Němec, Ivan","Semi-organic salts of aniline with inorganic acids: prospective materials for the second harmonic generation","CrystEngComm","2011","13","12","4131","","10.1039/c1ce05170a","","","0.71073","MoKα","","0.1328","0.0473","","","0.097","0.1133","","","","1.27","1.27","0.92","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206001","29.1811","0.0006","6.3632","0.0001","7.5091","0.0002","90","","94.993","0.002","90","","1389.04","0.05","120","","120","","","","","","","","","5","C 1 2 1","C 2y","5","Anilinium(1+) selenate","","","- C12 H16 N2 O4 Se -","- C12 H16 N2 O4 Se -","- C48 H64 N8 O16 Se4 -","4","1","","Matulková, Irena; Cihelka, Jaroslav; Fejfarová, Karla; Dušek, Michal; Pojarová, Michaela; Vaněk, Přemysl; Kroupa, Jan; Šála, Michal; Krupková, Radmila; Němec, Ivan","Semi-organic salts of aniline with inorganic acids: prospective materials for the second harmonic generation","CrystEngComm","2011","13","12","4131","","10.1039/c1ce05170a","","","1.54184","CuKα","","0.019","0.0188","","","0.063","0.0631","","","","1.54","1.54","1.54","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206002","13.3163","0.0017","18.059","0.002","21.255","0.003","90","","99.7","0.002","90","","5038.3","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H46 Fe3 N4 O16 -","- C48 H46 Fe3 N4 O16 -","- C192 H184 Fe12 N16 O64 -","4","0.5","","Wang, Xiao-Feng; Zhang, Yue-Biao; Zhang, Wei-Xiong; Xue, Wei; Zhou, Hao-Long; Chen, Xiao-Ming","Buffering additive effect in the formation of metal‒carboxylate frameworks with slightly different linear M3(RCOO)6 clusters","CrystEngComm","2011","13","12","4196","","10.1039/c1ce05190c","","","0.71073","MoKα","","0.1077","0.0673","","","0.171","0.1974","","","","","","1.017","","","","has coordinates,has disorder","180391","2020-10-21","18:00:00",""
"7206003","11.378","0.005","19.106","0.009","12.234","0.004","90","","121.14","0.03","90","","2276.3","1.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H46 N4 Ni3 O14 -","- C46 H46 N4 Ni3 O14 -","- C92 H92 N8 Ni6 O28 -","2","0.5","","Wang, Xiao-Feng; Zhang, Yue-Biao; Zhang, Wei-Xiong; Xue, Wei; Zhou, Hao-Long; Chen, Xiao-Ming","Buffering additive effect in the formation of metal‒carboxylate frameworks with slightly different linear M3(RCOO)6 clusters","CrystEngComm","2011","13","12","4196","","10.1039/c1ce05190c","","","0.71073","MoKα","","0.0957","0.0757","","","0.19","0.2063","","","","","","1.063","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206004","14.6443","0.0014","21.746","0.002","27.654","0.003","90","","95.693","0.005","90","","8763.1","1.5","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C45.5 H50.5 Ag3 N15.5 O42.5 P W12 -","- C45.5 H50.5 Ag3 N15.5 O42.5 P W12 -","- C182 H202 Ag12 N62 O170 P4 W48 -","4","1","","Bai, Yan; Zhang, Guo-Qiang; Dang, Dong-Bin; Ma, Peng-Tao; Gao, Hui; Niu, Jing-Yang","Assembly of polyoxometalate-based inorganic‒organic compounds from silver‒Schiff base building blocks: synthesis, crystal structures and luminescent properties","CrystEngComm","2011","13","12","4181","","10.1039/c1ce05192j","","","0.71073","MoKα","","0.1031","0.0492","","","0.1046","0.1187","","","","","","1.035","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7206005","12.0111","0.0006","13.577","0.0007","22.5735","0.0012","81.18","0.004","78.714","0.004","73.423","0.004","3441.3","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H64 Ag6 Mo24 N24 O80 P2 -","- C64 H61 Ag6 Mo24 N24 O80 P2 -","- C64 H61 Ag6 Mo24 N24 O80 P2 -","1","0.5","","Bai, Yan; Zhang, Guo-Qiang; Dang, Dong-Bin; Ma, Peng-Tao; Gao, Hui; Niu, Jing-Yang","Assembly of polyoxometalate-based inorganic‒organic compounds from silver‒Schiff base building blocks: synthesis, crystal structures and luminescent properties","CrystEngComm","2011","13","12","4181","","10.1039/c1ce05192j","","","0.71073","MoKα","","0.1287","0.0579","","","0.083","0.0983","","","","","","1.008","","","","has coordinates,has disorder","180391","2020-10-21","18:00:00",""
"7206006","12.3099","0.0014","13.3727","0.0008","13.3738","0.0008","112.618","0.001","97.849","0.001","106.18","0.001","1876.5","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H44 Ag4 Mo12 N16 O40 Si -","- C40 H44 Ag4 Mo12 N16 O40 Si -","- C40 H44 Ag4 Mo12 N16 O40 Si -","1","0.5","","Bai, Yan; Zhang, Guo-Qiang; Dang, Dong-Bin; Ma, Peng-Tao; Gao, Hui; Niu, Jing-Yang","Assembly of polyoxometalate-based inorganic‒organic compounds from silver‒Schiff base building blocks: synthesis, crystal structures and luminescent properties","CrystEngComm","2011","13","12","4181","","10.1039/c1ce05192j","","","0.71073","MoKα","","0.074","0.0727","","","0.1919","0.1924","","","","","","1.088","","","","has coordinates,has disorder","180391","2020-10-21","18:00:00",""
"7206007","26.82","0.001","26.82","0.001","15.528","0.001","90","","90","","120","","9673.1","0.8","293","2","293","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","(Tetrakis(mu-adenine- kN3:kN9)bis(chlorido)dicopper(ii))chloride-methanol (1/2))","[Tetrakis(mu-adenine-kN3:kN9)bis(chlorido)dicopper(II)]chloride- methanol (1/2)]","","- C22 H28 Cl4 Cu2 N20 O2 -","- C20 H20 Cl4 Cu2 N20 -","- C180 H180 Cl36 Cu18 N180 -","9","0.25","","Thomas-Gipson, J.; Beobide, G.; Castillo, O.; Cepeda, J.; Luque, A.; Pérez-Yáñez, S.; Aguayo, A. T.; Román, P.","Porous supramolecular compound based on paddle-wheel shaped copper(ii)‒adenine dinuclear entities","CrystEngComm","2011","13","10","3301","","10.1039/c1ce05195d","","","0.71073","MoKα","","0.1002","0.0793","","","0.2501","0.2601","","","","","","1.05","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206008","26.903","0.002","26.903","0.002","15.43","0.001","90","","90","","120","","9671.6","1.2","100","2","100","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","(Tetrakis(mu-adenine- kN3:kN9)bis(chlorido)dicopper(ii))chloride-methanol (1/2))","[Tetrakis(mu-adenine-kN3:kN9)bis(chlorido)dicopper(II)]chloride- methanol (1/2)]","","- C22 H28 Cl4 Cu2 N20 O2 -","- C20 H20 Cl4 Cu2 N20 -","- C180 H180 Cl36 Cu18 N180 -","9","0.25","","Thomas-Gipson, J.; Beobide, G.; Castillo, O.; Cepeda, J.; Luque, A.; Pérez-Yáñez, S.; Aguayo, A. T.; Román, P.","Porous supramolecular compound based on paddle-wheel shaped copper(ii)‒adenine dinuclear entities","CrystEngComm","2011","13","10","3301","","10.1039/c1ce05195d","","","0.71073","MoKα","","0.05","0.0337","","","0.0822","0.0872","","","","","","0.96","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206009","8.8432","0.0011","18.133","0.002","10.7628","0.0013","90","","111.47","0.003","90","","1606.1","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H46 N6 O2 -","- C38 H46 N6 O2 -","- C76 H92 N12 O4 -","2","0.5","","Geer, Michael F.; Smith, Mark D.; Shimizu, Linda S.","A bis-urea naphthalene macrocycle displaying two crystal structures with parallel ureas","CrystEngComm","2011","13","11","3665","","10.1039/c1ce05207a","","","0.71073","MoKα","","0.0867","0.0413","","","0.0588","0.0696","","","","","","0.806","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206010","7.1366","0.0004","10.9517","0.0006","33.5506","0.0018","90","","94.278","0.001","90","","2614.9","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 N4 O5 S -","- C28 H34 N4 O5 S -","- C112 H136 N16 O20 S4 -","4","1","","Geer, Michael F.; Smith, Mark D.; Shimizu, Linda S.","A bis-urea naphthalene macrocycle displaying two crystal structures with parallel ureas","CrystEngComm","2011","13","11","3665","","10.1039/c1ce05207a","","","0.71073","MoKα","","0.0823","0.0418","","","0.0655","0.0748","","","","","","0.826","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206011","6.9772","0.0004","10.5977","0.0006","17.178","0.0009","93.904","0.001","90.393","0.001","104.403","0.001","1227.03","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H32 N4 O4 -","- C28 H32 N4 O4 -","- C56 H64 N8 O8 -","2","1","","Geer, Michael F.; Smith, Mark D.; Shimizu, Linda S.","A bis-urea naphthalene macrocycle displaying two crystal structures with parallel ureas","CrystEngComm","2011","13","11","3665","","10.1039/c1ce05207a","","","0.71073","MoKα","","0.0626","0.0397","","","0.0926","0.1005","","","","","","0.911","","","","has coordinates,has disorder","180391","2020-10-21","18:00:00",""
"7206012","19.666","0.003","10.4447","0.0015","13.887","0.007","90","","122.89","0.02","90","","2395.3","1.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Mn(C10H9.50N3O6.25)","Mn(C10H9.50N3O6.25)","","- C10 H9.5 Mn N3 O6.25 -","- C10 H9 Mn N3 O6.25 -","- C80 H72 Mn8 N24 O50 -","8","1","","Li, Yan; Zou, Wen-Qiang; Wu, Mei-Feng; Lin, Jian-Di; Zheng, Fa-Kun; Liu, Zhi-Fa; Wang, Shuai-Hua; Guo, Guo-Cong; Huang, Jin-Shun","Hydrothermal syntheses, crystal structures and magnetic properties of four Mn(ii) and Co(ii) coordination polymers generated from new carboxylate-introduced 1,2,3-triazole ligands","CrystEngComm","2011","13","11","3868","","10.1039/c1ce05208j","","","0.71073","MoKα","","0.0267","0.0246","","","0.0612","0.0627","","","","","","1.034","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206013","18.895","0.004","8.0248","0.0016","17.604","0.004","90","","120.8","0.03","90","","2292.8","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Mn(H2O)(C10H5N3O4)","Mn(H2O)(C10H5N3O4)","","- C10 H7 Mn N3 O5 -","- C10 H7 Mn N3 O5 -","- C80 H56 Mn8 N24 O40 -","8","1","","Li, Yan; Zou, Wen-Qiang; Wu, Mei-Feng; Lin, Jian-Di; Zheng, Fa-Kun; Liu, Zhi-Fa; Wang, Shuai-Hua; Guo, Guo-Cong; Huang, Jin-Shun","Hydrothermal syntheses, crystal structures and magnetic properties of four Mn(ii) and Co(ii) coordination polymers generated from new carboxylate-introduced 1,2,3-triazole ligands","CrystEngComm","2011","13","11","3868","","10.1039/c1ce05208j","","","0.71073","MoKα","","0.0702","0.0634","","","0.1697","0.1735","","","","","","0.991","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206014","10.446","0.003","16.862","0.002","7.3912","0.0015","90","","96.063","0.019","90","","1294.6","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Co(C10H11N3O7)","Co(C10H11N3O7)","","- C10 H11 Co N3 O7 -","- C10 H9 Co N3 O7 -","- C40 H36 Co4 N12 O28 -","4","1","","Li, Yan; Zou, Wen-Qiang; Wu, Mei-Feng; Lin, Jian-Di; Zheng, Fa-Kun; Liu, Zhi-Fa; Wang, Shuai-Hua; Guo, Guo-Cong; Huang, Jin-Shun","Hydrothermal syntheses, crystal structures and magnetic properties of four Mn(ii) and Co(ii) coordination polymers generated from new carboxylate-introduced 1,2,3-triazole ligands","CrystEngComm","2011","13","11","3868","","10.1039/c1ce05208j","","","0.71073","MoKα","","0.1204","0.0736","","","0.1881","0.2214","","","","","","1.029","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206015","6.994","0.003","10.99","0.004","12.008","0.005","82.639","0.01","82.527","0.01","71.827","0.009","865.7","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Co3(C22H36N6O26)","Co3(C22H36N6O26)","","- C22 H36 Co3 N6 O26 -","- C22 H36 Co3 N6 O26 -","- C22 H36 Co3 N6 O26 -","1","0.5","","Li, Yan; Zou, Wen-Qiang; Wu, Mei-Feng; Lin, Jian-Di; Zheng, Fa-Kun; Liu, Zhi-Fa; Wang, Shuai-Hua; Guo, Guo-Cong; Huang, Jin-Shun","Hydrothermal syntheses, crystal structures and magnetic properties of four Mn(ii) and Co(ii) coordination polymers generated from new carboxylate-introduced 1,2,3-triazole ligands","CrystEngComm","2011","13","11","3868","","10.1039/c1ce05208j","","","0.71073","MoKα","","0.0561","0.0398","","","0.0879","0.0971","","","","","","1.031","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206016","20.0609","0.0003","20.0609","0.0003","37.6855","0.0012","90","","90","","90","","15166.1","0.6","150","2","150","2","","","","","","","","7","P 4/n n c :2","-P 4a 2bc","126","","","","- C210 H330 Cl2 Dy14 N24 O143 S16 -","- C210 H200 Cl2 Dy14 N24 O122 S16 -","- C420 H400 Cl4 Dy28 N48 O244 S32 -","2","0.125","","Miao, Yan-Li; Liu, Jun-Liang; Leng, Ji-Dong; Lin, Zhuo-Jia; Tong, Ming-Liang","Chloride templated formation of {Dy12(OH)16}20+ cluster core incorporating 1,10-phenanthroline-2,9-dicarboxylate","CrystEngComm","2011","13","10","3345","","10.1039/c1ce05211j","","","0.71073","MoKα","","0.0669","0.0453","","","0.1317","0.1456","","","","","","1.085","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206017","21.7073","0.0005","21.7073","0.0005","22.5476","0.0007","90","","90","","90","","10624.6","0.5","150","2","150","2","","","","","","","","6","P 4/n n c :2","-P 4a 2bc","126","","","","- C127 H222 Cl2 Dy12 N16 O113 -","- C112 H80 Cl2 Dy12 N16 O56 -","- C224 H160 Cl4 Dy24 N32 O112 -","2","0.125","","Miao, Yan-Li; Liu, Jun-Liang; Leng, Ji-Dong; Lin, Zhuo-Jia; Tong, Ming-Liang","Chloride templated formation of {Dy12(OH)16}20+ cluster core incorporating 1,10-phenanthroline-2,9-dicarboxylate","CrystEngComm","2011","13","10","3345","","10.1039/c1ce05211j","","","0.71073","MoKα","","0.1036","0.0745","","","0.2502","0.2876","","","","","","1.13","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206018","3.6325","0.0006","10.2841","0.0017","10.4812","0.0017","90","","97.379","0.003","90","","388.3","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C2 H3 Cu N4 -","- C2 H3 Cu N4 -","- C8 H12 Cu4 N16 -","4","1","","Chen, Da; Liu, Yi-Jiang; Lin, Yan-Yong; Zhang, Jie-Peng; Chen, Xiao-Ming","Packing polymorphism of a two-dimensional copper(i) 3-amino-1,2,4-triazolate coordination polymer","CrystEngComm","2011","13","11","3827","","10.1039/c1ce05230f","","","0.71073","MoKα","","0.0798","0.0628","","","0.1324","0.1412","","","","","","1.004","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206019","10.3115","0.0009","10.4977","0.001","14.7439","0.0014","90","","90","","90","","1596","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C2 H3 Cu N4 -","- C2 H3 Cu N4 -","- C32 H48 Cu16 N64 -","16","2","","Chen, Da; Liu, Yi-Jiang; Lin, Yan-Yong; Zhang, Jie-Peng; Chen, Xiao-Ming","Packing polymorphism of a two-dimensional copper(i) 3-amino-1,2,4-triazolate coordination polymer","CrystEngComm","2011","13","11","3827","","10.1039/c1ce05230f","","","0.71073","MoKα","","0.0545","0.0462","","","0.1102","0.1155","","","","","","1.029","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206020","8.4608","0.0007","10.3198","0.0009","10.5728","0.0009","90","","118.944","0.008","90","","807.84","0.13","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C2 H3 Cu N4 -","- C2 H3 Cu N4 -","- C16 H24 Cu8 N32 -","8","2","","Chen, Da; Liu, Yi-Jiang; Lin, Yan-Yong; Zhang, Jie-Peng; Chen, Xiao-Ming","Packing polymorphism of a two-dimensional copper(i) 3-amino-1,2,4-triazolate coordination polymer","CrystEngComm","2011","13","11","3827","","10.1039/c1ce05230f","","","0.71073","MoKα","","0.0407","0.0335","","","0.0863","0.0903","","","","","","1.042","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206021","33.6784","0.0009","25.4699","0.0007","19.5175","0.0005","90","","90","","90","","16741.8","0.8","100","2","100","2","","","","","","","","3","P n n a","-P 2a 2bc","52","","","","- C60 H72 O8 -","- C60 H68 O8 -","- C720 H816 O96 -","12","1.5","","Mastalerz, Michael; Estevez Rivera, Hebert Jesus; Oppel, Iris M.; Dyker, Gerald","Supramolecular single-stranded calix[4]arene helices—towards a crystal engineering approach of homochiral assemblies","CrystEngComm","2011","13","12","3979","","10.1039/c1ce05234a","","","1.54178","CuKα","","0.0817","0.065","","","0.1726","0.1841","","","","","","1.042","","","","has coordinates,has disorder","180391","2020-10-21","18:00:00",""
"7206022","17.4504","0.0006","17.4504","0.0006","27.9996","0.0014","90","","90","","120","","7384","0.5","120","2","120","2","","","","","","","","3","P 61","P 61","169","","","","- C56 H66 O9 -","- C56 H66 O9 -","- C336 H396 O54 -","6","1","","Mastalerz, Michael; Estevez Rivera, Hebert Jesus; Oppel, Iris M.; Dyker, Gerald","Supramolecular single-stranded calix[4]arene helices—towards a crystal engineering approach of homochiral assemblies","CrystEngComm","2011","13","12","3979","","10.1039/c1ce05234a","","","1.54184","CuKα","","0.0294","0.0279","","","0.0764","0.077","","","","","","1.061","","","","has coordinates,has disorder","180391","2020-10-21","18:00:00",""
"7206023","20.481","0.012","10.09","0.005","13.992","0.008","90","","125.41","0.008","90","","2357","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H8 N2 O4.5 Zn0.5 -","- C13 H8 N2 O4.5 Zn0.5 -","- C104 H64 N16 O36 Zn4 -","8","1","","Yang, Ming; Jiang, Feilong; Chen, Qihui; Zhou, Youfu; Feng, Rui; Xiong, Kecai; Hong, Maochun","Solvent and temperature influence structural variation from nonporous 2D →3D parallel polycatenation to 3D microporous metal‒organic framework","CrystEngComm","2011","13","12","3971","","10.1039/c1ce05263b","","","0.71073","MoKα","","0.0635","0.0508","","","0.098","0.103","","","","","","1.082","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206024","8.233","0.0016","9.1285","0.0016","10.792","0.0016","97.51","0.003","103.711","0.005","112.582","0.006","705","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H9 N2 O6.5 Zn -","- C13 H9 N2 O6.5 Zn -","- C26 H18 N4 O13 Zn2 -","2","1","","Yang, Ming; Jiang, Feilong; Chen, Qihui; Zhou, Youfu; Feng, Rui; Xiong, Kecai; Hong, Maochun","Solvent and temperature influence structural variation from nonporous 2D →3D parallel polycatenation to 3D microporous metal‒organic framework","CrystEngComm","2011","13","12","3971","","10.1039/c1ce05263b","","","0.71073","MoKα","","0.0607","0.0503","","","0.1412","0.1492","","","","","","1.088","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206025","10.07","0.008","11.383","0.008","13.936","0.01","90","","101.955","0.015","90","","1563","2","293","2","293","2","","","","","","","","5","P 1 2/m 1","-P 2y","10","","","","- C9 H5.5 N1.5 O2 Zn0.5 -","- C9 H5.5 N1.5 O2 Zn0.5 -","- C36 H22 N6 O8 Zn2 -","4","1","","Yang, Ming; Jiang, Feilong; Chen, Qihui; Zhou, Youfu; Feng, Rui; Xiong, Kecai; Hong, Maochun","Solvent and temperature influence structural variation from nonporous 2D →3D parallel polycatenation to 3D microporous metal‒organic framework","CrystEngComm","2011","13","12","3971","","10.1039/c1ce05263b","","","0.71073","MoKα","","0.0909","0.0735","","","0.2487","0.2717","","","","","","1.078","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206026","15.285","0.003","6.467","0.001","16.654","0.002","90","","110.64","0.03","90","","1540.6","0.5","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","tetrabenzylcyclen","1,4,7,10-tetrabenzyl-1,4,7,10-tetraazacyclododecane","","- C36 H44 N4 -","- C36 H44 N4 -","- C72 H88 N8 -","2","0.5","","Gelmboldt, Vladimir O.; Ganin, Eduard V.; Basok, Stepan S.; Kulygina, Ekaterina Yu.; Botoshansky, Mark M.; Kravtsov, Victor Ch.; Fonari, Marina S.","Tetrabenzylcyclen as a receptor for fluoride","CrystEngComm","2011","13","11","3682","","10.1039/c1ce05279a","","","0.71073","MoKα","","0.0726","0.0488","","","0.121","0.1363","","","","","","1.025","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206027","37.0414","0.0014","11.1521","0.0004","19.2636","0.0007","90","","100.044","0.004","90","","7835.6","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","1,4,7,10-tetrabenzyl-1,4,7,-triazonia-10-azacyclododecane fluoride hexafluorosilicate tetrahydrate","1,4,7,10-tetrabenzyl-1,4,7,-triazonia-10-azacyclododecane fluoride hexafluorosilicate tetrahydrate","","- C36 H55 F7 N4 O4 Si -","- C36 H52.276 F7 N4 O4 Si -","- C288 H418.208 F56 N32 O32 Si8 -","8","1","","Gelmboldt, Vladimir O.; Ganin, Eduard V.; Basok, Stepan S.; Kulygina, Ekaterina Yu.; Botoshansky, Mark M.; Kravtsov, Victor Ch.; Fonari, Marina S.","Tetrabenzylcyclen as a receptor for fluoride","CrystEngComm","2011","13","11","3682","","10.1039/c1ce05279a","","","0.71073","MoKα","","0.095","0.0399","","","0.0809","0.0896","","","","","","0.841","","","","has coordinates,has disorder","180391","2020-10-21","18:00:00",""
"7206028","16.382","0.0014","10.512","0.0004","21.654","0.002","90","","108.56","0.004","90","","3535","0.5","293","2","293","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","(EDTTTFImH)2(CLA)","(EDTTTFImH)2(CLA)","","- C28 H18 Cl2 N4 O4 S12 -","- C28 H18 Cl2 N4 O4 S12 -","- C112 H72 Cl8 N16 O16 S48 -","4","0.5","","Murata, Tsuyoshi; Yakiyama, Yumi; Nakasuji, Kazuhiro; Morita, Yasushi","Proton-transfer salts between an EDT-TTF derivative having imidazole-ring and anilic acids: multi-dimensional networks by acid‒base hydrogen-bonds, π-stacks and chalcogen atom interactions","CrystEngComm","2011","13","11","3689","","10.1039/c1ce05326d","","x-ray","0.71073","MoKα","","0.0479","0.0362","","","0.0865","0.0922","","","","","","1.042","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206029","9.762","0.005","10.467","0.008","10.572","0.007","92.16","0.03","114.66","0.02","112.01","0.02","885.7","1","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","(EDTTTFImH)2(CNA)","(EDTTTFImH)2(CNA)","","- C15 H9 N3 O2 S6 -","- C15 H9 N3 O2 S6 -","- C30 H18 N6 O4 S12 -","2","1","","Murata, Tsuyoshi; Yakiyama, Yumi; Nakasuji, Kazuhiro; Morita, Yasushi","Proton-transfer salts between an EDT-TTF derivative having imidazole-ring and anilic acids: multi-dimensional networks by acid‒base hydrogen-bonds, π-stacks and chalcogen atom interactions","CrystEngComm","2011","13","11","3689","","10.1039/c1ce05326d","","x-ray","0.71073","MoKα","","0.0451","0.0333","","","0.0892","0.1043","","","","","","1.093","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206071","4.05818","0.000052","13.94699","0.00017","12.42233","0.00017","90","","90.6948","0.0013","90","","703.045","0.016","400","","400","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Br4 Cu N2 -","- C10 H8 Br4 Cu N2 -","- C20 H16 Br8 Cu2 N4 -","2","0.5","","Mínguez Espallargas, Guillermo; Florence, Alastair J.; van de Streek, Jacco; Brammer, Lee","Different structural destinations: comparing reactions of [CuBr2(3-Brpy)2] crystals with HBr and HCl gas","CrystEngComm","2011","13","13","4400","","10.1039/c1ce05222e","powder diffraction","x-ray","0.99937","synchrotron","","","","","","","","","","2.055","","","","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206072","4.01653","0.0001","13.944","0.0002","12.3686","0.0002","90","","90.526","0.001","90","","692.69","0.02","298","","298","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Br4 Cu N2 -","- C10 H8 Br4 Cu N2 -","- C20 H16 Br8 Cu2 N4 -","2","0.5","","Mínguez Espallargas, Guillermo; Florence, Alastair J.; van de Streek, Jacco; Brammer, Lee","Different structural destinations: comparing reactions of [CuBr2(3-Brpy)2] crystals with HBr and HCl gas","CrystEngComm","2011","13","13","4400","","10.1039/c1ce05222e","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","","1.873","","","","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206073","6.58904","0.000079","8.60622","0.00011","16.25227","0.00021","89.7895","0.001","89.4785","0.00091","79.0643","0.0011","904.84","0.02","298","","298","","","","","","","","see text","5","P -1","-P 1","2","","","","- C10 H10 Br6 Cu N2 -","- C10 H10 Br6 Cu N2 -","- C20 H20 Br12 Cu2 N4 -","2","1","","Mínguez Espallargas, Guillermo; Florence, Alastair J.; van de Streek, Jacco; Brammer, Lee","Different structural destinations: comparing reactions of [CuBr2(3-Brpy)2] crystals with HBr and HCl gas","CrystEngComm","2011","13","13","4400","","10.1039/c1ce05222e","powder diffraction","x-ray","0.99937","synchrotron","","","","","","","","","","3.839","","","","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206074","6.585083","0.000072","8.604378","0.000094","16.26256","0.00017","89.7706","0.00071","89.4765","0.00062","79.1189","0.00068","904.839","0.017","298","","298","","","","","","","","see text","5","P -1","-P 1","2","","","","- C10 H10 Br6 Cu N2 -","- C10 H10 Br6 Cu N2 -","- C20 H20 Br12 Cu2 N4 -","2","1","","Mínguez Espallargas, Guillermo; Florence, Alastair J.; van de Streek, Jacco; Brammer, Lee","Different structural destinations: comparing reactions of [CuBr2(3-Brpy)2] crystals with HBr and HCl gas","CrystEngComm","2011","13","13","4400","","10.1039/c1ce05222e","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","","3.292","","","","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206075","3.785","","3.785","","9.5196","","90","","90","","90","","136.38","","298","","","","","","","","","","","2","I 41/a m d :1","I 4bw 2bw -1bw","141","","Titanium oxide","Anatase","- O2 Ti -","- O2 Ti -","- O8 Ti4 -","4","0.125","","Rezaee, Masih; Mousavi Khoie, Seyyed Mohammad; Liu, Kun Hua","The role of brookite in mechanical activation of anatase-to-rutile transformation of nanocrystalline TiO2: An XRD and Raman spectroscopy investigation","CrystEngComm","2011","13","16","5055","","10.1039/c1ce05185g","","","1.54187","CuKα","","","","","","","","","","","","","","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206076","6.1078","0.0002","9.0766","0.0003","30.1945","0.0011","90","","92.094","0.003","90","","1672.81","0.1","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1-[(2-biphenylamino)methylen]naphtalen-2(1H)-one","","","- C23 H17 N O -","- C23 H17 N O -","- C92 H68 N4 O4 -","4","1","","Cinčić, Dominik; Kaitner, Branko","Schiff base derived from 2-hydroxy-1-naphthaldehyde and liquid-assisted mechanochemical synthesis of its isostructural Cu(ii) and Co(ii) complexes","CrystEngComm","2011","13","13","4351","","10.1039/c0ce00421a","","","0.71073","MoKα","","0.1223","0.0528","","","0.0995","0.1174","","","","","","0.949","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206077","25.3539","0.001","9.1936","0.0002","15.1458","0.0006","90","","106.93","0.004","90","","3377.4","0.2","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","bis[N-(2-biphenyl)-2-oxy-1-naphthaldiminato]copper(II)","","","- C46 H32 Cu N2 O2 -","- C46 H32 Cu N2 O2 -","- C184 H128 Cu4 N8 O8 -","4","0.5","","Cinčić, Dominik; Kaitner, Branko","Schiff base derived from 2-hydroxy-1-naphthaldehyde and liquid-assisted mechanochemical synthesis of its isostructural Cu(ii) and Co(ii) complexes","CrystEngComm","2011","13","13","4351","","10.1039/c0ce00421a","","","0.71073","MoKα","","0.0315","0.0275","","","0.0794","0.0804","","","","","","1.158","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206078","25.3808","0.0013","8.8392","0.0004","16.2656","0.001","90","","105.756","0.006","90","","3512","0.3","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","bis[N-(2-biphenyl)-2-oxy-1-naphthaldiminato]cobalt(II)","","","- C46 H32 Co N2 O2 -","- C46 H32 Co N2 O2 -","- C184 H128 Co4 N8 O8 -","4","0.5","","Cinčić, Dominik; Kaitner, Branko","Schiff base derived from 2-hydroxy-1-naphthaldehyde and liquid-assisted mechanochemical synthesis of its isostructural Cu(ii) and Co(ii) complexes","CrystEngComm","2011","13","13","4351","","10.1039/c0ce00421a","","","0.71073","MoKα","","0.0685","0.0409","","","0.0979","0.1039","","","","","","0.908","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206079","5.977","0.002","17.481","0.006","14.845","0.005","90","","93.708","0.006","90","","1547.8","0.9","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H22 O2 -","- C20 H22 O2 -","- C80 H88 O8 -","4","2","","Chan, Isa Y. H.; Bhadbhade, Mohan M.; Bishop, Roger","Design of a new inclusion host: 3,7-diphenylbicyclo[3.3.0]octane-endo-3,endo-7-diol","CrystEngComm","2011","13","9","3162","","10.1039/c0ce00498g","","","0.71073","MoKα","","0.1369","0.0668","","","0.1467","0.1957","","","","","","0.85","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206080","10.9252","0.0011","12.8444","0.0011","12.9669","0.0013","81.473","0.004","85.56","0.004","82.793","0.004","1782.1","0.3","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H26 O3 -","- C21 H26 O3 -","- C84 H104 O12 -","4","2","","Chan, Isa Y. H.; Bhadbhade, Mohan M.; Bishop, Roger","Design of a new inclusion host: 3,7-diphenylbicyclo[3.3.0]octane-endo-3,endo-7-diol","CrystEngComm","2011","13","9","3162","","10.1039/c0ce00498g","","","0.71073","MoKα","","0.1689","0.052","","","0.1187","0.1929","","","","","","0.895","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206081","21.82","0.06","6.006","0.018","34.11","0.1","90","","95.12","0.18","90","","4452","2","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 O2 -","- C28 H32 O2 -","- C224 H256 O16 -","8","2","","Chan, Isa Y. H.; Bhadbhade, Mohan M.; Bishop, Roger","Design of a new inclusion host: 3,7-diphenylbicyclo[3.3.0]octane-endo-3,endo-7-diol","CrystEngComm","2011","13","9","3162","","10.1039/c0ce00498g","","","0.71073","MoKα","","0.3075","0.0859","","","0.1637","0.2571","","","","","","0.97","","","","has coordinates,has disorder","180391","2020-10-21","18:00:00",""
"7206082","29.898","0.002","6.0728","0.0003","20.9859","0.0012","90","","110.252","0.003","90","","3574.7","0.4","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C23 H25 O2 -","- C23 H25 O2 -","- C184 H200 O16 -","8","1","","Chan, Isa Y. H.; Bhadbhade, Mohan M.; Bishop, Roger","Design of a new inclusion host: 3,7-diphenylbicyclo[3.3.0]octane-endo-3,endo-7-diol","CrystEngComm","2011","13","9","3162","","10.1039/c0ce00498g","","","0.71073","MoKα","","0.0636","0.0472","","","0.1419","0.158","","","","","","1.169","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206083","7.0471","0.0012","11.314","0.002","11.747","0.002","86.321","0.003","83.933","0.003","72.684","0.003","888.6","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H36 Cl2 N8 Ni O18 -","- C26 H36 Cl2 N8 Ni O18 -","- C26 H36 Cl2 N8 Ni O18 -","1","0.5","","Das, Amrita; Choudhury, Somnath Ray; Estarellas, Carolina; Dey, Biswajit; Frontera, Antonio; Hemming, Joanna; Helliwell, Madeleine; Gamez, Patrick; Mukhopadhyay, Subrata","Supramolecular assemblies involving anion‒π and lone pair‒π interactions: experimental observation and theoretical analysis","CrystEngComm","2011","13","14","4519","","10.1039/c0ce00593b","","","0.71073","MoKα","","0.044","0.034","","","0.0762","0.0791","","","","","","0.969","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206084","7.0459","0.001","11.857","0.0017","11.8501","0.0017","84.482","0.002","84.484","0.002","72.251","0.002","936.2","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H36 F12 N8 Ni O10 P2 -","- C26 H36 F12 N8 Ni O10 P2 -","- C26 H36 F12 N8 Ni O10 P2 -","1","0.5","","Das, Amrita; Choudhury, Somnath Ray; Estarellas, Carolina; Dey, Biswajit; Frontera, Antonio; Hemming, Joanna; Helliwell, Madeleine; Gamez, Patrick; Mukhopadhyay, Subrata","Supramolecular assemblies involving anion‒π and lone pair‒π interactions: experimental observation and theoretical analysis","CrystEngComm","2011","13","14","4519","","10.1039/c0ce00593b","","","0.71073","MoKα","","0.0309","0.0292","","","0.0769","0.0783","","","","","","1.043","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206085","8.319","0.002","16.294","0.003","9.718","0.002","90","","117.5","0.03","90","","1168.4","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","9-Acetyl-anthracene","9-Acetyl-anthracene","","- C16 H12 O -","- C16 H12 O -","- C64 H48 O4 -","4","1","","Zouev, I.; Cao, Den-Ke; Sreevidya, T. V.; Telzhensky, M.; Botoshansky, M.; Kaftory, M.","Photodimerization of anthracene derivatives in their neat solid state and in solid molecular compounds","CrystEngComm","2011","13","13","4376","","10.1039/c0ce00739k","","","0.71073","MoKα","","0.1147","0.0417","","","0.0868","0.0993","","","","","","0.769","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206086","11.368","0.002","15.431","0.003","15.462","0.003","90","","90","","90","","2712.3","0.9","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","Isopropyl anthracene-9-carboxylate dimer","","","- C36 H32 O4 -","- C36 H32 O4 -","- C144 H128 O16 -","4","0.5","","Zouev, I.; Cao, Den-Ke; Sreevidya, T. V.; Telzhensky, M.; Botoshansky, M.; Kaftory, M.","Photodimerization of anthracene derivatives in their neat solid state and in solid molecular compounds","CrystEngComm","2011","13","13","4376","","10.1039/c0ce00739k","","","0.71073","MoKα","","0.1447","0.0734","","","0.1841","0.2109","","","","","","1.003","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206087","9.919","0.002","8.734","0.002","18.506","0.003","90","","116.75","0.03","90","","1431.6","0.6","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Isopropyl anthracene-9-carboxylate","","","- C18 H16 O2 -","- C18 H16 O2 -","- C72 H64 O8 -","4","1","","Zouev, I.; Cao, Den-Ke; Sreevidya, T. V.; Telzhensky, M.; Botoshansky, M.; Kaftory, M.","Photodimerization of anthracene derivatives in their neat solid state and in solid molecular compounds","CrystEngComm","2011","13","13","4376","","10.1039/c0ce00739k","","","0.71073","MoKα","","0.126","0.0615","","","0.1538","0.1757","","","","","","1.079","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206088","9.585","0.002","13.733","0.003","9.025","0.002","90","","98.09","0.03","90","","1176.1","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","9-Carbomethoxy-anthracene dimer","","- C32 H24 O4 -","- C32 H24 O4 -","- C64 H48 O8 -","2","0.5","","Zouev, I.; Cao, Den-Ke; Sreevidya, T. V.; Telzhensky, M.; Botoshansky, M.; Kaftory, M.","Photodimerization of anthracene derivatives in their neat solid state and in solid molecular compounds","CrystEngComm","2011","13","13","4376","","10.1039/c0ce00739k","","","0.71073","MoKα","","0.0725","0.0412","","","0.0925","0.1087","","","","","","0.993","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206089","7.858","0.002","8.578","0.002","11.474","0.002","87.89","0.02","80.43","0.02","67.09","0.02","702.2","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","9-carbopropoxy-anthracene","","","- C18 H16 O2 -","- C18 H16 O2 -","- C36 H32 O4 -","2","1","","Zouev, I.; Cao, Den-Ke; Sreevidya, T. V.; Telzhensky, M.; Botoshansky, M.; Kaftory, M.","Photodimerization of anthracene derivatives in their neat solid state and in solid molecular compounds","CrystEngComm","2011","13","13","4376","","10.1039/c0ce00739k","","","0.71073","MoKα","","0.1494","0.0831","","","0.2391","0.2797","","","","","","1.119","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206090","26.69","0.005","7.591","0.001","16.814","0.003","90","","122.01","0.03","90","","2888.6","1.3","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Isopropyl anthracene-9-carboxylate","Isopropyl anthracene-9-carboxylate","","- C18 H16 O2 -","- C18 H16 O2 -","- C144 H128 O16 -","8","1","","Zouev, I.; Cao, Den-Ke; Sreevidya, T. V.; Telzhensky, M.; Botoshansky, M.; Kaftory, M.","Photodimerization of anthracene derivatives in their neat solid state and in solid molecular compounds","CrystEngComm","2011","13","13","4376","","10.1039/c0ce00739k","","","0.71073","MoKα","","0.0977","0.0605","","","0.1543","0.1689","","","","","","1.057","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206091","8.496","0.002","9.22","0.002","10.151","0.003","85.09","0.02","70.74","0.02","69.22","0.02","701.4","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","9-carbopropoxy-anthracene dimer","","- C36 H32 O4 -","- C36 H32 O4 -","- C36 H32 O4 -","1","0.5","","Zouev, I.; Cao, Den-Ke; Sreevidya, T. V.; Telzhensky, M.; Botoshansky, M.; Kaftory, M.","Photodimerization of anthracene derivatives in their neat solid state and in solid molecular compounds","CrystEngComm","2011","13","13","4376","","10.1039/c0ce00739k","","","0.71073","MoKα","","0.0682","0.0441","","","0.1208","0.1317","","","","","","0.883","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206092","9.323","0.002","10.17","0.003","14.499","0.003","109.54","0.02","98.57","0.03","95.02","0.03","1267.1","0.6","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","1,1,6,6-tetraphenyl-2,4-hexadiyne-1,6-diol with 9-carbopropoxyanthracene","","- C66 H54 O6 -","- C66 H54 O6 -","- C66 H54 O6 -","1","0.5","","Zouev, I.; Cao, Den-Ke; Sreevidya, T. V.; Telzhensky, M.; Botoshansky, M.; Kaftory, M.","Photodimerization of anthracene derivatives in their neat solid state and in solid molecular compounds","CrystEngComm","2011","13","13","4376","","10.1039/c0ce00739k","","","0.71073","MoKα","","0.0917","0.0434","","","0.1056","0.1211","","","","","","0.961","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206093","9.341","0.002","10.333","0.003","14.545","0.004","109.68","0.02","99.28","0.03","96.19","0.03","1284.6","0.6","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","1,1,6,6-tetraphenyl-2,4-hexadiyne-1,6-diol with 9-carbopropoxyanthracene","","- C66 H54 O6 -","- C66 H54 O6 -","- C66 H54 O6 -","1","0.5","","Zouev, I.; Cao, Den-Ke; Sreevidya, T. V.; Telzhensky, M.; Botoshansky, M.; Kaftory, M.","Photodimerization of anthracene derivatives in their neat solid state and in solid molecular compounds","CrystEngComm","2011","13","13","4376","","10.1039/c0ce00739k","","","0.71073","MoKα","","0.2073","0.0816","","","0.1876","0.2123","","","","","","1.261","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206094","9.375","0.002","10.734","0.003","29.95","0.006","90","","90","","90","","3013.9","1.2","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H39 N O4 -","- C33 H39 N O4 -","- C132 H156 N4 O16 -","4","1","","Bąkowicz, Julia; Skarżewski, Jacek; Turowska-Tyrk, Ilona","Photo-induced structural changes in two crystal forms with different numbers of independent molecules","CrystEngComm","2011","13","13","4332","","10.1039/c0ce00795a","","","0.71073","MoKα","","0.072","0.0549","","","0.1433","0.1563","","","","","","1.055","","","","has coordinates,has disorder","180391","2020-10-21","18:00:00",""
"7206095","9.375","0.0015","10.7698","0.0019","29.857","0.004","90","","90","","90","","3014.6","0.8","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H39 N O4 -","- C33 H38.85 N O4 -","- C132 H155.4 N4 O16 -","4","1","","Bąkowicz, Julia; Skarżewski, Jacek; Turowska-Tyrk, Ilona","Photo-induced structural changes in two crystal forms with different numbers of independent molecules","CrystEngComm","2011","13","13","4332","","10.1039/c0ce00795a","","","0.71073","MoKα","","0.0939","0.0725","","","0.1971","0.217","","","","","","1.108","","","","has coordinates,has disorder","180391","2020-10-21","18:00:00",""
"7206096","9.3769","0.0013","10.8131","0.0018","29.707","0.004","90","","90","","90","","3012.1","0.8","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H39 N O4 -","- C33 H38.784 N O4 -","- C132 H155.136 N4 O16 -","4","1","","Bąkowicz, Julia; Skarżewski, Jacek; Turowska-Tyrk, Ilona","Photo-induced structural changes in two crystal forms with different numbers of independent molecules","CrystEngComm","2011","13","13","4332","","10.1039/c0ce00795a","","","0.71073","MoKα","","0.1057","0.0778","","","0.2152","0.2411","","","","","","1.128","","","","has coordinates,has disorder","180391","2020-10-21","18:00:00",""
"7206097","9.382","0.002","10.864","0.003","29.571","0.007","90","","90","","90","","3014.1","1.3","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H39 N O4 -","- C33 H38.713 N O4 -","- C132 H154.852 N4 O16 -","4","1","","Bąkowicz, Julia; Skarżewski, Jacek; Turowska-Tyrk, Ilona","Photo-induced structural changes in two crystal forms with different numbers of independent molecules","CrystEngComm","2011","13","13","4332","","10.1039/c0ce00795a","","","0.71073","MoKα","","0.1344","0.0873","","","0.2281","0.2658","","","","","","1.15","","","","has coordinates,has disorder","180391","2020-10-21","18:00:00",""
"7206098","9.3702","0.0013","11.016","0.002","29.134","0.005","90","","90","","90","","3007.3","0.9","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H39 N O4 -","- C33 H38.444 N O4 -","- C132 H153.776 N4 O16 -","4","1","","Bąkowicz, Julia; Skarżewski, Jacek; Turowska-Tyrk, Ilona","Photo-induced structural changes in two crystal forms with different numbers of independent molecules","CrystEngComm","2011","13","13","4332","","10.1039/c0ce00795a","","","0.71073","MoKα","","0.1574","0.1011","","","0.2707","0.3158","","","","","","1.222","","","","has coordinates,has disorder","180391","2020-10-21","18:00:00",""
"7206099","9.3364","0.0013","11.1836","0.0019","28.721","0.005","90","","90","","90","","2998.9","0.8","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H39 N O4 -","- C33 H38.331 N O4 -","- C132 H153.324 N4 O16 -","4","1","","Bąkowicz, Julia; Skarżewski, Jacek; Turowska-Tyrk, Ilona","Photo-induced structural changes in two crystal forms with different numbers of independent molecules","CrystEngComm","2011","13","13","4332","","10.1039/c0ce00795a","","","0.71073","MoKα","","0.1461","0.0924","","","0.2534","0.2981","","","","","","1.183","","","","has coordinates,has disorder","180391","2020-10-21","18:00:00",""
"7206100","9.3006","0.0012","11.3515","0.0016","28.334","0.004","90","","90","","90","","2991.4","0.7","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H39 N O4 -","- C33 H38.201 N O4 -","- C132 H152.804 N4 O16 -","4","1","","Bąkowicz, Julia; Skarżewski, Jacek; Turowska-Tyrk, Ilona","Photo-induced structural changes in two crystal forms with different numbers of independent molecules","CrystEngComm","2011","13","13","4332","","10.1039/c0ce00795a","","","0.71073","MoKα","","0.1245","0.0816","","","0.2102","0.2429","","","","","","1.155","","","","has coordinates,has disorder","180392","2020-10-21","18:00:00",""
"7206101","9.2818","0.0015","11.418","0.002","28.183","0.005","90","","90","","90","","2986.8","0.9","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H39 N O4 -","- C33 H38.188 N O4 -","- C132 H152.752 N4 O16 -","4","1","","Bąkowicz, Julia; Skarżewski, Jacek; Turowska-Tyrk, Ilona","Photo-induced structural changes in two crystal forms with different numbers of independent molecules","CrystEngComm","2011","13","13","4332","","10.1039/c0ce00795a","","","0.71073","MoKα","","0.1173","0.0802","","","0.2164","0.2464","","","","","","1.142","","","","has coordinates,has disorder","180392","2020-10-21","18:00:00",""
"7206102","9.2671","0.0014","11.4608","0.0018","28.078","0.004","90","","90","","90","","2982.1","0.8","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H39 N O4 -","- C33 H38.126 N O4 -","- C132 H152.504 N4 O16 -","4","1","","Bąkowicz, Julia; Skarżewski, Jacek; Turowska-Tyrk, Ilona","Photo-induced structural changes in two crystal forms with different numbers of independent molecules","CrystEngComm","2011","13","13","4332","","10.1039/c0ce00795a","","","0.71073","MoKα","","0.1108","0.0772","","","0.2002","0.2259","","","","","","1.166","","","","has coordinates,has disorder","180392","2020-10-21","18:00:00",""
"7206103","9.2515","0.0016","11.479","0.002","28.054","0.005","90","","90","","90","","2979.3","0.9","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H39 N O4 -","- C33 H38.121 N O4 -","- C132 H152.484 N4 O16 -","4","1","","Bąkowicz, Julia; Skarżewski, Jacek; Turowska-Tyrk, Ilona","Photo-induced structural changes in two crystal forms with different numbers of independent molecules","CrystEngComm","2011","13","13","4332","","10.1039/c0ce00795a","","","0.71073","MoKα","","0.1085","0.0747","","","0.1956","0.2239","","","","","","1.141","","","","has coordinates,has disorder","180392","2020-10-21","18:00:00",""
"7206104","9.2509","0.0016","11.481","0.002","28.074","0.005","90","","90","","90","","2981.7","0.9","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H39 N O4 -","- C33 H39 N O4 -","- C132 H156 N4 O16 -","4","1","","Bąkowicz, Julia; Skarżewski, Jacek; Turowska-Tyrk, Ilona","Photo-induced structural changes in two crystal forms with different numbers of independent molecules","CrystEngComm","2011","13","13","4332","","10.1039/c0ce00795a","","","0.71073","MoKα","","0.1018","0.0668","","","0.1559","0.1781","","","","","","1.127","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206105","22.093","0.004","9.3747","0.0019","28.939","0.006","90","","90","","90","","5994","2","299","2","299","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C33 H39 N O4 -","- C33 H38.334 N O4 -","- C264 H306.672 N8 O32 -","8","2","","Bąkowicz, Julia; Skarżewski, Jacek; Turowska-Tyrk, Ilona","Photo-induced structural changes in two crystal forms with different numbers of independent molecules","CrystEngComm","2011","13","13","4332","","10.1039/c0ce00795a","","","0.71073","MoKα","","0.1016","0.076","","","0.1992","0.2226","","","","","","1.098","","","","has coordinates,has disorder","180392","2020-10-21","18:00:00",""
"7206106","22.121","0.004","9.3817","0.0018","28.942","0.005","90","","90","","90","","6006.4","1.9","299","2","299","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C33 H39 N O4 -","- C33 H38.18 N O4 -","- C264 H305.44 N8 O32 -","8","2","","Bąkowicz, Julia; Skarżewski, Jacek; Turowska-Tyrk, Ilona","Photo-induced structural changes in two crystal forms with different numbers of independent molecules","CrystEngComm","2011","13","13","4332","","10.1039/c0ce00795a","","","0.71073","MoKα","","0.1058","0.0745","","","0.1906","0.2178","","","","","","1.106","","","","has coordinates,has disorder","180392","2020-10-21","18:00:00",""
"7206107","22.142","0.004","9.3891","0.0017","28.954","0.005","90","","90","","90","","6019.3","1.9","299","2","299","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C33 H39 N O4 -","- C33 H37.98 N O4 -","- C264 H303.84 N8 O32 -","8","2","","Bąkowicz, Julia; Skarżewski, Jacek; Turowska-Tyrk, Ilona","Photo-induced structural changes in two crystal forms with different numbers of independent molecules","CrystEngComm","2011","13","13","4332","","10.1039/c0ce00795a","","","0.71073","MoKα","","0.1143","0.0774","","","0.198","0.2291","","","","","","1.107","","","","has coordinates,has disorder","180392","2020-10-21","18:00:00",""
"7206108","22.179","0.004","9.3739","0.0017","28.978","0.006","90","","90","","90","","6025","2","299","2","299","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C33 H39 N O4 -","- C33 H38.2155 N O4 -","- C264 H305.724 N8 O32 -","8","2","","Bąkowicz, Julia; Skarżewski, Jacek; Turowska-Tyrk, Ilona","Photo-induced structural changes in two crystal forms with different numbers of independent molecules","CrystEngComm","2011","13","13","4332","","10.1039/c0ce00795a","","","0.71073","MoKα","","0.1307","0.0878","","","0.2321","0.2715","","","","","","1.127","","","","has coordinates,has disorder","180392","2020-10-21","18:00:00",""
"7206109","22.199","0.004","9.37","0.0017","29.003","0.006","90","","90","","90","","6033","2","299","2","299","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C33 H39 N O4 -","- C33 H38.5385 N O4 -","- C264 H308.308 N8 O32 -","8","2","","Bąkowicz, Julia; Skarżewski, Jacek; Turowska-Tyrk, Ilona","Photo-induced structural changes in two crystal forms with different numbers of independent molecules","CrystEngComm","2011","13","13","4332","","10.1039/c0ce00795a","","","0.71073","MoKα","","0.1427","0.091","","","0.2415","0.2889","","","","","","1.145","","","","has coordinates,has disorder","180392","2020-10-21","18:00:00",""
"7206110","8.189","0.0007","10.9898","0.0009","17.93","0.002","90","","105.346","0.009","90","","1556.1","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(Methanol)cis-dioxo(N-3-methoxysalicylidene-2-amino-3 - hydroxypyridine)molybdenum(VI)","(Methanol)cis-dioxo(N-3-methoxysalicylidene-2-amino-3 -hydroxypyridine)molybdenum(VI)","","- C14 H14 Mo N2 O6 -","- C14 H14 Mo N2 O6 -","- C56 H56 Mo4 N8 O24 -","4","1","","Užarević, Krunoslav; Rubčić, Mirta; Radić, Maja; Puškarić, Andreas; Cindrić, Marina","Mechanosensitive metal‒ligand bonds in the design of new coordination compounds","CrystEngComm","2011","13","13","4314","","10.1039/c0ce00807a","","","0.71073","MoKα","","0.0357","0.024","","","0.0593","0.0616","","","","","","0.923","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206111","8.0992","0.0016","11.4036","0.0011","17.993","0.003","90","","99.474","0.016","90","","1639.2","0.5","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(Ethanol)cis-dioxo(N-3-methoxysalicylidene-2-amino -3- hydroxypyridine)molybdenum(VI)","(Ethanol)cis-dioxo(N-3-methoxysalicylidene-2-amino -3-hydroxypyridine)molybdenum(VI)","","- C15 H16 Mo N2 O6 -","- C15 H16 Mo N2 O6 -","- C60 H64 Mo4 N8 O24 -","4","1","","Užarević, Krunoslav; Rubčić, Mirta; Radić, Maja; Puškarić, Andreas; Cindrić, Marina","Mechanosensitive metal‒ligand bonds in the design of new coordination compounds","CrystEngComm","2011","13","13","4314","","10.1039/c0ce00807a","","","0.71073","MoKα","","0.073","0.0331","","","0.0702","0.0777","","","","","","1.018","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7206112","7.7894","0.0004","10.0907","0.0007","12.5937","0.0005","86.293","0.004","81.553","0.004","69.096","0.005","914.61","0.09","295","2","295","2","","","","","","","","5","P -1","-P 1","2","cis-dioxo(N-3-methoxysalicylidene-2-amino -3- hydroxypyridine)(propanol)molybdenum(VI)","cis-dioxo(N-3-methoxysalicylidene-2-amino -3-hydroxypyridine)(propanol)molybdenum(VI)","","- C16 H18 Mo N2 O6 -","- C16 H18 Mo N2 O6 -","- C32 H36 Mo2 N4 O12 -","2","1","","Užarević, Krunoslav; Rubčić, Mirta; Radić, Maja; Puškarić, Andreas; Cindrić, Marina","Mechanosensitive metal‒ligand bonds in the design of new coordination compounds","CrystEngComm","2011","13","13","4314","","10.1039/c0ce00807a","","","0.71073","MoKα","","0.0596","0.0461","","","0.1207","0.1259","","","","","","0.982","","","","has coordinates,has disorder","180392","2020-10-21","18:00:00",""
"7206113","8.8879","0.0003","14.5134","0.0005","16.4716","0.0006","90","","90.433","0.003","90","","2124.67","0.13","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","cis-dioxo(N-3-methoxysalicylidene-2-amino-3-hydroxypyridine) (4-methylpyridine)molybdenum(VI) acetonitrile solvate","cis-dioxo(N-3-methoxysalicylidene-2-amino-3-hydroxypyridine) (4-methylpyridine)molybdenum(VI) acetonitrile solvate","","- C21 H20 Mo N4 O5 -","- C21 H20 Mo N4 O5 -","- C84 H80 Mo4 N16 O20 -","4","1","","Užarević, Krunoslav; Rubčić, Mirta; Radić, Maja; Puškarić, Andreas; Cindrić, Marina","Mechanosensitive metal‒ligand bonds in the design of new coordination compounds","CrystEngComm","2011","13","13","4314","","10.1039/c0ce00807a","","","0.71073","MoKα","","0.0877","0.0361","","","0.0579","0.067","","","","","","1.05","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206114","7.5668","0.0003","19.3973","0.0007","14.5305","0.0006","90","","116.626","0.003","90","","1906.55","0.14","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(Imidazole)cis-dioxo(N-3-methoxysalicylidene-2-amino -3- hydroxypyridine)molybdenum(VI) acetonitrile solvate","(Imidazole)cis-dioxo(N-3-methoxysalicylidene-2-amino -3-hydroxypyridine)molybdenum(VI) acetonitrile solvate","","- C18 H17 Mo N5 O5 -","- C18 H17 Mo N5 O5 -","- C72 H68 Mo4 N20 O20 -","4","1","","Užarević, Krunoslav; Rubčić, Mirta; Radić, Maja; Puškarić, Andreas; Cindrić, Marina","Mechanosensitive metal‒ligand bonds in the design of new coordination compounds","CrystEngComm","2011","13","13","4314","","10.1039/c0ce00807a","","","0.71073","MoKα","","0.072","0.0333","","","0.0552","0.0615","","","","","","1.023","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206115","7.4565","0.0004","17.8707","0.0014","12.2079","0.0009","90","","93.021","0.006","90","","1624.5","0.2","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(Imidazole)cis-dioxo(N-3-methoxysalicylidene -2-amino-3- hydroxypyridine)molybdenum(VI)","(Imidazole)cis-dioxo(N-3-methoxysalicylidene -2-amino-3-hydroxypyridine)molybdenum(VI)","","- C16 H14 Mo N4 O5 -","- C16 H14 Mo N4 O5 -","- C64 H56 Mo4 N16 O20 -","4","1","","Užarević, Krunoslav; Rubčić, Mirta; Radić, Maja; Puškarić, Andreas; Cindrić, Marina","Mechanosensitive metal‒ligand bonds in the design of new coordination compounds","CrystEngComm","2011","13","13","4314","","10.1039/c0ce00807a","","","0.71073","MoKα","","0.0338","0.0241","","","0.0605","0.0625","","","","","","1.006","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206116","11.7871","0.0006","12.8269","0.0007","13.8071","0.0006","108.49","0.005","94.104","0.004","113.811","0.005","1762.67","0.19","295","2","295","2","","","","","","","","5","P -1","-P 1","2","(4,4'-bipyridine)bis(cis-dioxo(N-3-methoxysalicylidene -2- amino-3-hydroxypyridine))dimolybdenum(VI)","(4,4'-bipyridine)bis(cis-dioxo(N-3-methoxysalicylidene -2-amino-3-hydroxypyridine))dimolybdenum(VI)","","- C36 H28 Mo2 N6 O10 -","- C36 H28 Mo2 N6 O10 -","- C72 H56 Mo4 N12 O20 -","2","1","","Užarević, Krunoslav; Rubčić, Mirta; Radić, Maja; Puškarić, Andreas; Cindrić, Marina","Mechanosensitive metal‒ligand bonds in the design of new coordination compounds","CrystEngComm","2011","13","13","4314","","10.1039/c0ce00807a","","","0.71073","MoKα","","0.0719","0.0396","","","0.0983","0.1045","","","","","","0.94","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206117","12.342","0.0012","13.4804","0.0009","17.3437","0.0016","90","","131.638","0.006","90","","2156.5","0.4","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(4,4'-bipyridine)bis(cis-dioxo(N-3-methoxysalicylidene -2- amino-3-hydroxypyridine))dimolybdenum(VI) dichlormethane solvate","(4,4'-bipyridine)bis(cis-dioxo(N-3-methoxysalicylidene -2-amino-3-hydroxypyridine))dimolybdenum(VI) dichlormethane solvate","","- C38 H32 Cl4 Mo2 N6 O10 -","- C38 H32 Cl4 Mo2 N6 O10 -","- C76 H64 Cl8 Mo4 N12 O20 -","2","0.5","","Užarević, Krunoslav; Rubčić, Mirta; Radić, Maja; Puškarić, Andreas; Cindrić, Marina","Mechanosensitive metal‒ligand bonds in the design of new coordination compounds","CrystEngComm","2011","13","13","4314","","10.1039/c0ce00807a","","","0.71073","MoKα","","0.0522","0.0348","","","0.0896","0.0933","","","","","","0.94","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206118","15.725","0.001","15.839","0.002","7.4203","0.0007","90","","84.225","0.002","90","","1838.8","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 Cl2 N O3 Ru -","- C16 H21 Cl2 N O3 Ru -","- C64 H84 Cl8 N4 O12 Ru4 -","4","1","","Bacchi, Alessia; Cantoni, Giulia; Chierotti, Michele R.; Girlando, Alberto; Gobetto, Roberto; Lapadula, Giuseppe; Pelagatti, Paolo; Sironi, Angelo; Zecchini, Matteo","Water vapour uptake and extrusion by a crystalline metallorganic solid based on half-sandwich Ru(ii) building-blocks","CrystEngComm","2011","13","13","4365","","10.1039/c0ce00816h","","","0.71073","MoKα","","0.0338","0.0267","","","0.0767","0.0852","","","","","","1.144","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206119","15.0199","0.0009","7.2739","0.0004","15.4998","0.001","90","","95.452","0.005","90","","1685.74","0.18","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 Cl2 N O2 Ru -","- C16 H19 Cl2 N O2 Ru -","- C64 H76 Cl8 N4 O8 Ru4 -","4","1","","Bacchi, Alessia; Cantoni, Giulia; Chierotti, Michele R.; Girlando, Alberto; Gobetto, Roberto; Lapadula, Giuseppe; Pelagatti, Paolo; Sironi, Angelo; Zecchini, Matteo","Water vapour uptake and extrusion by a crystalline metallorganic solid based on half-sandwich Ru(ii) building-blocks","CrystEngComm","2011","13","13","4365","","10.1039/c0ce00816h","","","0.71073","MoKα","","0.045","0.0343","","","0.0881","0.0943","","","","","","1.057","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206120","14.7083","0.001","15.0887","0.001","7.72552","0.00049","90","","98.0506","0.004","90","","1697.62","0.19","373","","373","","","","","","","","Phase transition","6","P 1 21/c 1","-P 2ybc","14","((eta6-p-cymene)Ru(ii)Cl2(isonicotinic acid))","[(eta6-p-cymene)Ru(II)Cl2(isonicotinic acid)]","","- C16 H19 Cl2 N O2 Ru -","- C16 H19 Cl2 N O2 Ru -","- C64 H76 Cl8 N4 O8 Ru4 -","4","1","","Bacchi, Alessia; Cantoni, Giulia; Chierotti, Michele R.; Girlando, Alberto; Gobetto, Roberto; Lapadula, Giuseppe; Pelagatti, Paolo; Sironi, Angelo; Zecchini, Matteo","Water vapour uptake and extrusion by a crystalline metallorganic solid based on half-sandwich Ru(ii) building-blocks","CrystEngComm","2011","13","13","4365","","10.1039/c0ce00816h","powder diffraction","","1.54056","CuKα11.54056CuKα21.54439","","","","","","","","","","2.34","","","","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206121","14.0995","0.001","14.0995","0.001","20.05","0.002","90","","90","","120","","3451.9","0.5","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C54 H32 Cu2 N2 O12 -","- C54 H32 Cu2 N2 O12 -","- C162 H96 Cu6 N6 O36 -","3","0.5","","Pang, Yu; Tian, Dan; Zhu, Xiao-Fei; Luo, Yu-Hui; Zheng, Xiang; Zhang, Hong","Copper(ii) and nickel(ii) coordination polymers assembled from 2,4-dibenzoylisophthalic acid and different N-donor co-ligands: syntheses, crystal structures, and magnetic properties","CrystEngComm","2011","13","16","5142","","10.1039/c0ce00839g","","","0.71073","MoKα","","0.0836","0.0671","","","0.178","0.1931","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206122","14.096","0.005","14.096","0.005","20.062","0.005","90","0.005","90","0.005","120","0.005","3452.2","1.9","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C54 H14.33 N2 Ni2 O13 -","- C54 H32 N2 Ni2 O12 -","- C162 H96 N6 Ni6 O36 -","3","0.5","","Pang, Yu; Tian, Dan; Zhu, Xiao-Fei; Luo, Yu-Hui; Zheng, Xiang; Zhang, Hong","Copper(ii) and nickel(ii) coordination polymers assembled from 2,4-dibenzoylisophthalic acid and different N-donor co-ligands: syntheses, crystal structures, and magnetic properties","CrystEngComm","2011","13","16","5142","","10.1039/c0ce00839g","","","0.71069","MoKα","","0.0966","0.0754","","","0.1947","0.2128","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206123","14.9031","0.0007","18.2115","0.0006","18.371","0.0005","94.803","0.002","101.6","0.003","113.983","0.004","4385.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C186 H134 Cu10 N4 O62 -","- C186 H134 Cu10 N4 O62 -","- C186 H134 Cu10 N4 O62 -","1","0.5","","Pang, Yu; Tian, Dan; Zhu, Xiao-Fei; Luo, Yu-Hui; Zheng, Xiang; Zhang, Hong","Copper(ii) and nickel(ii) coordination polymers assembled from 2,4-dibenzoylisophthalic acid and different N-donor co-ligands: syntheses, crystal structures, and magnetic properties","CrystEngComm","2011","13","16","5142","","10.1039/c0ce00839g","","","0.71073","MoKα","","0.0943","0.0466","","","0.0955","0.1029","","","","","","0.859","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206124","8.4874","0.0012","17.602","0.002","21.025","0.003","90","","100.048","0.002","90","","3092.9","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H32 Cu N6 O8 -","- C32 H32 Cu N6 O8 -","- C128 H128 Cu4 N24 O32 -","4","1","","Pang, Yu; Tian, Dan; Zhu, Xiao-Fei; Luo, Yu-Hui; Zheng, Xiang; Zhang, Hong","Copper(ii) and nickel(ii) coordination polymers assembled from 2,4-dibenzoylisophthalic acid and different N-donor co-ligands: syntheses, crystal structures, and magnetic properties","CrystEngComm","2011","13","16","5142","","10.1039/c0ce00839g","","","0.71073","MoKα","","0.0654","0.041","","","0.0908","0.1006","","","","","","1.021","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206125","21.837","0.002","16.5073","0.0014","7.2252","0.0006","90","","90","","90","","2604.5","0.4","100","2","100","2","","","","","","","see text","4","P n a 21","P 2c -2n","33","Isoniazid:4-aminosalicylic acid co-crystal","","","- C26 H28 N8 O8 -","- C26 H28 N8 O8 -","- C104 H112 N32 O32 -","4","1","","Grobelny, Pawel; Mukherjee, Arijit; Desiraju, Gautam R.","Drug-drug co-crystals: Temperature-dependent proton mobility in the molecular complex of isoniazid with 4-aminosalicylic acid","CrystEngComm","2011","13","13","4358","","10.1039/c0ce00842g","","","0.71075","MoKα","","0.0392","0.0358","","","0.1","0.1101","","","","","","1.138","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206126","21.845","0.002","16.5081","0.0013","7.2355","0.0006","90","","90","","90","","2609.3","0.4","120","2","120","2","","","","","","","see text","4","P n a 21","P 2c -2n","33","Isoniazid:4-aminosalicylic acid co-crystal","","","- C26 H28 N8 O8 -","- C26 H28 N8 O8 -","- C104 H112 N32 O32 -","4","1","","Grobelny, Pawel; Mukherjee, Arijit; Desiraju, Gautam R.","Drug-drug co-crystals: Temperature-dependent proton mobility in the molecular complex of isoniazid with 4-aminosalicylic acid","CrystEngComm","2011","13","13","4358","","10.1039/c0ce00842g","","x-ray","0.71075","MoKα","","0.0378","0.0359","","","0.0926","0.0948","","","","","","1.086","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206127","21.859","0.002","16.5084","0.0014","7.2459","0.0006","90","","90","","90","","2614.7","0.4","140","2","140","","","","","","","","see text","4","P n a 21","P 2c -2n","33","Isoniazid:4-aminosalicylic acid co-crystal","","","- C26 H28 N8 O8 -","- C26 H28 N8 O8 -","- C104 H112 N32 O32 -","4","1","","Grobelny, Pawel; Mukherjee, Arijit; Desiraju, Gautam R.","Drug-drug co-crystals: Temperature-dependent proton mobility in the molecular complex of isoniazid with 4-aminosalicylic acid","CrystEngComm","2011","13","13","4358","","10.1039/c0ce00842g","","x-ray","0.71075","MoKα","","0.0419","0.0384","","","0.1047","0.1144","","","","","","1.138","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206128","21.879","0.009","16.52","0.007","7.263","0.003","90","","90","","90","","2625.1","1.9","160","2","160","2","","","","","","","see text","4","P n a 21","P 2c -2n","33","Isoniazid:4-aminosalicylic acid co-crystal","","","- C26 H28 N8 O8 -","- C26 H28 N8 O8 -","- C104 H112 N32 O32 -","4","1","","Grobelny, Pawel; Mukherjee, Arijit; Desiraju, Gautam R.","Drug-drug co-crystals: Temperature-dependent proton mobility in the molecular complex of isoniazid with 4-aminosalicylic acid","CrystEngComm","2011","13","13","4358","","10.1039/c0ce00842g","","x-ray","0.71075","MoKα","","0.0436","0.0386","","","0.1053","0.1169","","","","","","1.171","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206129","21.889","0.002","16.5223","0.0014","7.275","0.0006","90","","90","","90","","2631.1","0.4","180","2","180","2","","","","","","","see text","4","P n a 21","P 2c -2n","33","Isoniazid:4-aminosalicylic acid co-crystal","","","- C26 H28 N8 O8 -","- C26 H28 N8 O8 -","- C104 H112 N32 O32 -","4","1","","Grobelny, Pawel; Mukherjee, Arijit; Desiraju, Gautam R.","Drug-drug co-crystals: Temperature-dependent proton mobility in the molecular complex of isoniazid with 4-aminosalicylic acid","CrystEngComm","2011","13","13","4358","","10.1039/c0ce00842g","","x-ray","0.71075","MoKα","","0.0436","0.0391","","","0.1066","0.1172","","","","","","1.141","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206130","21.893","0.01","16.515","0.007","7.283","0.003","90","","90","","90","","2633","2","200","2","200","2","","","","","","","see text","4","P n a 21","P 2c -2n","33","Isoniazid:4-aminosalicylic acid co-crystal","","","- C26 H28 N8 O8 -","- C26 H28 N8 O8 -","- C104 H112 N32 O32 -","4","1","","Grobelny, Pawel; Mukherjee, Arijit; Desiraju, Gautam R.","Drug-drug co-crystals: Temperature-dependent proton mobility in the molecular complex of isoniazid with 4-aminosalicylic acid","CrystEngComm","2011","13","13","4358","","10.1039/c0ce00842g","","x-ray","0.71075","MoKα","","0.0463","0.0415","","","0.1137","0.1243","","","","","","1.162","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206131","21.893","0.002","16.5073","0.0018","7.299","0.0007","90","","90","","90","","2637.8","0.5","220","2","220","2","","","","","","","see text","4","P n a 21","P 2c -2n","33","Isoniazid:4-aminosalicylic acid co-crystal","","","- C13 H14 N4 O4 -","- C13 H14 N4 O4 -","- C104 H112 N32 O32 -","8","2","","Grobelny, Pawel; Mukherjee, Arijit; Desiraju, Gautam R.","Drug-drug co-crystals: Temperature-dependent proton mobility in the molecular complex of isoniazid with 4-aminosalicylic acid","CrystEngComm","2011","13","13","4358","","10.1039/c0ce00842g","","x-ray","0.71075","MoKα","","0.0469","0.0408","","","0.1118","0.1238","","","","","","1.161","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206132","21.926","0.01","16.514","0.008","7.31","0.003","90","","90","","90","","2647","2","240","2","240","","","","","","","","see text","4","P n a 21","P 2c -2n","33","Isoniazid:4-aminosalicylic acid co-crystal","","","- C13 H14 N4 O4 -","- C13 H14 N4 O4 -","- C104 H112 N32 O32 -","8","2","","Grobelny, Pawel; Mukherjee, Arijit; Desiraju, Gautam R.","Drug-drug co-crystals: Temperature-dependent proton mobility in the molecular complex of isoniazid with 4-aminosalicylic acid","CrystEngComm","2011","13","13","4358","","10.1039/c0ce00842g","","x-ray","0.71075","MoKα","","0.0498","0.044","","","0.1196","0.1305","","","","","","1.16","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206133","21.969","0.002","16.485","0.002","7.3209","0.0009","90","","90","","90","","2651.3","0.5","260","2","260","2","","","","","","","see text","4","P n a 21","P 2c -2n","33","Isoniazid:4-aminosalicylic acid co-crystal","","","- C13 H14 N4 O4 -","- C13 H14 N4 O4 -","- C104 H112 N32 O32 -","8","2","","Grobelny, Pawel; Mukherjee, Arijit; Desiraju, Gautam R.","Drug-drug co-crystals: Temperature-dependent proton mobility in the molecular complex of isoniazid with 4-aminosalicylic acid","CrystEngComm","2011","13","13","4358","","10.1039/c0ce00842g","","x-ray","0.71075","MoKα","","0.0511","0.0439","","","0.1178","0.1305","","","","","","1.162","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206134","21.942","0.002","16.515","0.002","7.3435","0.0008","90","","90","","90","","2661.1","0.5","280","","280","","","","","","","","see text","4","P n a 21","P 2c -2n","33","Isoniazid:4-aminosalicylic acid co-crystal","","","- C13 H14 N4 O4 -","- C13 H14 N4 O4 -","- C104 H112 N32 O32 -","8","2","","Grobelny, Pawel; Mukherjee, Arijit; Desiraju, Gautam R.","Drug-drug co-crystals: Temperature-dependent proton mobility in the molecular complex of isoniazid with 4-aminosalicylic acid","CrystEngComm","2011","13","13","4358","","10.1039/c0ce00842g","","x-ray","0.71075","MoKα","","0.0551","0.0471","","","0.1262","0.1393","","","","","","1.182","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206135","21.84","0.002","16.506","0.0017","7.2541","0.0007","90","","90","","90","","2615","0.4","150","","150","","","","","","","","see text","4","P n a 21","P 2c -2n","33","Isoniazid:4-aminosalicylic acid co-crystal","","","- C26 H28 N8 O8 -","- C26 H28 N8 O8 -","- C104 H112 N32 O32 -","4","1","","Grobelny, Pawel; Mukherjee, Arijit; Desiraju, Gautam R.","Drug-drug co-crystals: Temperature-dependent proton mobility in the molecular complex of isoniazid with 4-aminosalicylic acid","CrystEngComm","2011","13","13","4358","","10.1039/c0ce00842g","","x-ray","0.71075","MoKα","","0.0458","0.0401","","","0.1095","0.1262","","","","","","1.19","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206136","6.778","0.0014","7.038","0.0014","15.05","0.003","96.59","0.03","98.42","0.03","105.27","0.03","676.2","0.3","150","","150","2","","","","","","","see text","4","P -1","-P 1","2","Pyrazinecarboxamide:4-aminosalicylic acid co-crystal hydrate","","","- C12 H14 N4 O5 -","- C12 H14 N4 O5 -","- C24 H28 N8 O10 -","2","1","","Grobelny, Pawel; Mukherjee, Arijit; Desiraju, Gautam R.","Drug-drug co-crystals: Temperature-dependent proton mobility in the molecular complex of isoniazid with 4-aminosalicylic acid","CrystEngComm","2011","13","13","4358","","10.1039/c0ce00842g","","x-ray","0.71075","MoKα","","0.1284","0.063","","","0.1318","0.1792","","","","","","1.041","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206137","7.0768","0.0006","8.1099","0.0006","15.1128","0.0012","76.138","0.011","82.477","0.01","70.923","0.01","794.54","0.12","203","2","203","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H20 I8 N2 -","- C24 H20 I8 N2 -","- C24 H20 I8 N2 -","1","0.5","","García, Marcos D.; Martí-Rujas, Javier; Metrangolo, Pierangelo; Peinador, Carlos; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo; Ursini, Maurizio","Dimensional caging of polyiodides: cation-templated synthesis using bipyridinium salts","CrystEngComm","2011","13","13","4411","","10.1039/c0ce00860e","","","0.71073","MoKα","","0.0327","0.0241","","","0.0658","0.0822","","","","","","1.14","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206138","7.6088","0.0005","7.697","0.0005","14.1513","0.0009","99.02","0.003","93.382","0.003","105.947","0.003","782.46","0.09","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H14 F8 I6 N2 -","- C24 H14 F8 I6 N2 -","- C24 H14 F8 I6 N2 -","1","0.5","","García, Marcos D.; Martí-Rujas, Javier; Metrangolo, Pierangelo; Peinador, Carlos; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo; Ursini, Maurizio","Dimensional caging of polyiodides: cation-templated synthesis using bipyridinium salts","CrystEngComm","2011","13","13","4411","","10.1039/c0ce00860e","","","0.71073","MoKα","","0.0869","0.0312","","","0.0679","0.0814","","","","","","0.866","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206139","39.119","0.005","6.1713","0.0008","12.324","0.002","90","","92.106","0.016","90","","2973.2","0.7","297","2","297","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H16 F8 I4 N2 -","- C26 H16 F8 I4 N2 -","- C104 H64 F32 I16 N8 -","4","0.5","","García, Marcos D.; Martí-Rujas, Javier; Metrangolo, Pierangelo; Peinador, Carlos; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo; Ursini, Maurizio","Dimensional caging of polyiodides: cation-templated synthesis using bipyridinium salts","CrystEngComm","2011","13","13","4411","","10.1039/c0ce00860e","","","0.71073","MoKα","","0.0505","0.0302","","","0.0688","0.0798","","","","","","1.016","","","","has coordinates,has disorder","180392","2020-10-21","18:00:00",""
"7206140","13.98","0.002","7.108","0.0009","15.52","0.002","90","","101.51","0.02","90","","1511.2","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 I6 N2 -","- C24 H22 I6 N2 -","- C48 H44 I12 N4 -","2","0.5","","García, Marcos D.; Martí-Rujas, Javier; Metrangolo, Pierangelo; Peinador, Carlos; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo; Ursini, Maurizio","Dimensional caging of polyiodides: cation-templated synthesis using bipyridinium salts","CrystEngComm","2011","13","13","4411","","10.1039/c0ce00860e","","","0.71073","MoKα","","0.061","0.0352","","","0.0708","0.0852","","","","","","1.041","","","","has coordinates,has disorder","180392","2020-10-21","18:00:00",""
"7206141","9.5397","0.001","11.3337","0.0011","17.3668","0.0016","90","","90","","90","","1877.7","0.3","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C12 H14 I4 N2 -","- C12 H14 I4 N2 -","- C48 H56 I16 N8 -","4","0.5","","García, Marcos D.; Martí-Rujas, Javier; Metrangolo, Pierangelo; Peinador, Carlos; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo; Ursini, Maurizio","Dimensional caging of polyiodides: cation-templated synthesis using bipyridinium salts","CrystEngComm","2011","13","13","4411","","10.1039/c0ce00860e","","","0.71073","MoKα","","0.0217","0.0169","","","0.036","0.037","","","","","","1.099","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206142","7.2715","0.0008","12.498","0.0016","14.3479","0.0018","104.8","0.016","99.824","0.017","102.526","0.017","1194.8","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H14 I7 N2 -","- C12 H14 I7 N2 -","- C24 H28 I14 N4 -","2","1","","García, Marcos D.; Martí-Rujas, Javier; Metrangolo, Pierangelo; Peinador, Carlos; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo; Ursini, Maurizio","Dimensional caging of polyiodides: cation-templated synthesis using bipyridinium salts","CrystEngComm","2011","13","13","4411","","10.1039/c0ce00860e","","","0.71073","MoKα","","0.0521","0.0324","","","0.0696","0.0791","","","","","","1.013","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206143","9.77","0.002","7.3538","0.0014","14.749","0.003","90","","92.324","0.015","90","","1058.8","0.4","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 I6 N2 -","- C12 H14 I6 N2 -","- C24 H28 I12 N4 -","2","0.5","","García, Marcos D.; Martí-Rujas, Javier; Metrangolo, Pierangelo; Peinador, Carlos; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo; Ursini, Maurizio","Dimensional caging of polyiodides: cation-templated synthesis using bipyridinium salts","CrystEngComm","2011","13","13","4411","","10.1039/c0ce00860e","","","0.71073","MoKα","","0.025","0.0195","","","0.04","0.0416","","","","","","1.023","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206144","7.3666","0.0009","7.5376","0.0009","26.01","0.003","89.788","0.006","86.141","0.007","70.266","0.006","1356.1","0.3","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H14 I9 N2 -","- C12 H14 I9 N2 -","- C24 H28 I18 N4 -","2","1","","García, Marcos D.; Martí-Rujas, Javier; Metrangolo, Pierangelo; Peinador, Carlos; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo; Ursini, Maurizio","Dimensional caging of polyiodides: cation-templated synthesis using bipyridinium salts","CrystEngComm","2011","13","13","4411","","10.1039/c0ce00860e","","","0.71073","MoKα","","0.0817","0.0399","","","0.0951","0.1182","","","","","","1.024","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206145","5.8638","0.0012","5.0832","0.0011","10.708","0.002","90","","92.124","0.016","90","","318.95","0.11","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","4-nitronitrosobenzene","4-nitronitrosobenzene","","- C6 H4 N2 O3 -","- C6 H4 N1.998 O2.998 -","- C12 H8 N3.996 O5.996 -","2","0.5","","Halasz, Ivan; Vančik, Hrvoj","Surface nucleation in solid-state dimerisation of nitrosobenzenes promoted by sublimation","CrystEngComm","2011","13","13","4307","","10.1039/c0ce00870b","","","0.71073","MoKα","","0.0658","0.0502","","","0.1085","0.1161","","","","","","1.295","","","","has coordinates,has disorder","180392","2020-10-21","18:00:00",""
"7206146","3.735","0.002","6.533","0.006","13.51","0.009","90","","98.38","0.06","90","","326.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-chloronitrosobenzene","","- C6 H4 Cl N O -","- C3 H2 Cl0.5 N0.5 O0.606 -","- C6 H4 Cl N O1.212 -","2","0.5","","Halasz, Ivan; Vančik, Hrvoj","Surface nucleation in solid-state dimerisation of nitrosobenzenes promoted by sublimation","CrystEngComm","2011","13","13","4307","","10.1039/c0ce00870b","","","0.71073","MoKα","","0.1377","0.0796","","","0.1634","0.1989","","","","","","1.272","","","","has coordinates,has disorder","180392","2020-10-21","18:00:00",""
"7206147","22.0053","0.0005","22.0053","0.0005","76.102","0.004","90","","90","","120","","31914","2","296","2","296","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C90 H72 Cu4.5 N18 O40 P W12 -","- C90 H48 Cu4.5 N18 O40 P W12 -","- C1080 H576 Cu54 N216 O480 P12 W144 -","12","0.333333","","Xiao, Li-Na; Wang, Yan; Pan, Cheng-Ling; Xu, Jia-Ning; Wang, Tie-Gang; Ding, Hong; Gao, Zhong-Min; Zheng, Da-Fang; Cui, Xiao-Bing; Xu, Ji-Qing","Three novel supramolecular hybrid compounds based on keggin polytungstates","CrystEngComm","2011","13","15","4878","","10.1039/c0ce00897d","","","0.71073","MoKα","","0.0609","0.0482","","","0.1275","0.1411","","","","","","1.187","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206148","15.22","0.0008","15.9213","0.0008","18.079","0.001","74.933","0.001","74.646","0.001","66.294","0.001","3809.2","0.3","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C144 H104 Cl4 Cu9 N24 O44 P W12 -","- C144 H96 Cl4 Cu9 N24 O44 P W12 -","- C144 H96 Cl4 Cu9 N24 O44 P W12 -","1","0.5","","Xiao, Li-Na; Wang, Yan; Pan, Cheng-Ling; Xu, Jia-Ning; Wang, Tie-Gang; Ding, Hong; Gao, Zhong-Min; Zheng, Da-Fang; Cui, Xiao-Bing; Xu, Ji-Qing","Three novel supramolecular hybrid compounds based on keggin polytungstates","CrystEngComm","2011","13","15","4878","","10.1039/c0ce00897d","","","0.71073","MoKα","","0.0709","0.0512","","","0.1451","0.1609","","","","","","1.042","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206149","15.092","0.005","15.819","0.005","17.992","0.006","74.792","0.005","74.347","0.005","66.22","0.005","3727","2","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C144 H100 B Cl4 Cu9 N24 O42 W12 -","- C144 H96 B Cl4 Cu9 N24 O42 W12 -","- C144 H96 B Cl4 Cu9 N24 O42 W12 -","1","0.5","","Xiao, Li-Na; Wang, Yan; Pan, Cheng-Ling; Xu, Jia-Ning; Wang, Tie-Gang; Ding, Hong; Gao, Zhong-Min; Zheng, Da-Fang; Cui, Xiao-Bing; Xu, Ji-Qing","Three novel supramolecular hybrid compounds based on keggin polytungstates","CrystEngComm","2011","13","15","4878","","10.1039/c0ce00897d","","","0.71073","MoKα","","0.1389","0.1053","","","0.2554","0.2807","","","","","","1.03","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206150","11.0794","0.0002","11.1586","0.0002","11.8673","0.0002","82.422","0.0017","88.3512","0.0017","88.9145","0.0014","1453.58","0.04","100","","100","","","","","","","","","6","P -1","-P 1","2","Bis(tetraphenylphosphonium) hexa-mu!2$-iodido-tetra copper(i) acetone monosolvate","Bis(tetraphenylphosphonium) hexa-μ~2~-iodido-tetra copper(I) acetone monosolvate","","- C51 H46 Cu4 I6 O P2 -","- C51 H46 Cu4 I6 O P2 -","- C51 H46 Cu4 I6 O P2 -","1","0.5","","Jalilian, Ehsan; Liao, Rong-Zhen; Himo, Fahmi; Brismar, Hjalmar; Laurell, Fredrik; Lidin, Sven","Luminescence properties of the Cu4I62− cluster","CrystEngComm","2011","13","14","4729","","10.1039/c0ce00909a","","","0.71069","MoKα","","0.1576","0.0393","","","0.0812","0.1008","","","","1.79","1.79","1.2","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206151","15.1257","0.0001","15.5606","0.0001","24.7564","0.0002","90","","90","","90","","5826.79","0.07","100","","100","","","","","","","","","6","P b c n","-P 2n 2ab","60","Bis(tetraphenylphosphonium) hexa-mu!2$-iodido-tetra copper(i) acetone monosolvate","Bis(tetraphenylphosphonium) hexa-μ~2~-iodido-tetra copper(I) acetone monosolvate","","- C27 H26 Cu2 I3 O P -","- C27 H26 Cu2 I3 O P -","- C216 H208 Cu16 I24 O8 P8 -","8","1","","Jalilian, Ehsan; Liao, Rong-Zhen; Himo, Fahmi; Brismar, Hjalmar; Laurell, Fredrik; Lidin, Sven","Luminescence properties of the Cu4I62− cluster","CrystEngComm","2011","13","14","4729","","10.1039/c0ce00909a","","","0.71069","MoKα","","0.0379","0.034","","","0.1075","0.1092","","","","1.85","1.85","1.8","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206152","43.444","0.008","7.254","0.002","9.702","0.002","90","","92.54","0.02","90","","3054.5","1.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","N,N'-ethylene-bis(4-octyloxysalicylideneiminato)copper(ii)","N,N'-ethylene-bis(4-octyloxysalicylideneiminato)copper(II)","","- C32 H46 Cu N2 O4 -","- C32 H46 Cu N2 O4 -","- C128 H184 Cu4 N8 O16 -","4","0.5","","Räisänen, Minna T.; Nieger, Martin; Slawin, Alexandra M. Z.; Leskelä, Markku; Repo, Timo","Two- and three-dimensional packing diagrams of M(salophen) complexes","CrystEngComm","2011","13","14","4701","","10.1039/c0ce00926a","","","0.71073","MoKα","","0.0595","0.0414","","","0.0874","0.0935","","","","","","1.04","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206153","19.521","0.002","14.028","0.002","12.066","0.003","90","","99.2","0.02","90","","3261.7","1","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","N,N'-(o-phenylene)bis(4- hexyloxysalicylideneiminato)copper(ii) dichloromethane solvate","N,N'-(o-phenylene)bis(4-hexyloxysalicylideneiminato)copper(II) dichloromethane solvate","","- C33 H40 Cl2 Cu N2 O4 -","- C33 H40 Cl2 Cu N2 O4 -","- C132 H160 Cl8 Cu4 N8 O16 -","4","1","","Räisänen, Minna T.; Nieger, Martin; Slawin, Alexandra M. Z.; Leskelä, Markku; Repo, Timo","Two- and three-dimensional packing diagrams of M(salophen) complexes","CrystEngComm","2011","13","14","4701","","10.1039/c0ce00926a","","","0.71073","MoKα","","0.2237","0.0862","","","0.1913","0.2613","","","","","","1.078","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206154","14.94","0.006","5.532","0.002","42.014","0.002","90","","90.754","0.007","90","","3472.1","1.9","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","N,N'-(o-phenylene)bis(4-decyloxysalicylideneiminato)nickel(ii)","N,N'-(o-phenylene)bis(4-decyloxysalicylideneiminato)nickel(II)","","- C40 H54 N2 Ni O4 -","- C40 H54 N2 Ni O4 -","- C160 H216 N8 Ni4 O16 -","4","1","","Räisänen, Minna T.; Nieger, Martin; Slawin, Alexandra M. Z.; Leskelä, Markku; Repo, Timo","Two- and three-dimensional packing diagrams of M(salophen) complexes","CrystEngComm","2011","13","14","4701","","10.1039/c0ce00926a","","","0.71073","MoKα","","0.1352","0.1134","","","0.2199","0.2304","","","","","","1.257","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206155","10.2393","0.0003","11.7244","0.0004","11.8311","0.0004","93.936","0.003","97.847","0.003","114.58","0.003","1267.05","0.08","150","2","150","2","","","","","","","","5","P -1","-P 1","2","bis (acetonitrile cis-dioxo(2-oxobenzaldehyde isonicotinylhydrazonato-O, N, O) molybdenum(VI)) hexamolybdate acetonitrile solvate (1/2)","bis (acetonitrile cis-dioxo(2-oxobenzaldehyde isonicotinylhydrazonato-O, N, O) molybdenum(VI)) hexamolybdate acetonitrile solvate (1/2)","","- C34 H32 Mo8 N10 O27 -","- C34 H32 Mo8 N10 O27 -","- C34 H32 Mo8 N10 O27 -","1","0.5","","Vrdoljak, Višnja; Prugovečki, Biserka; Matković-Čalogović, Dubravka; Pisk, Jana","Hybrid organic‒inorganic compounds based on the Lindqvist polyoxomolybdate and dioxomolybdenum(vi) complexes","CrystEngComm","2011","13","13","4382","","10.1039/c0ce00927j","","","0.71073","MoKα","","0.0225","0.018","","","0.0441","0.0449","","","","","","1.016","","","","has coordinates,has disorder","180392","2020-10-21","18:00:00",""
"7206156","10.5322","0.0003","11.4529","0.0003","11.6939","0.0003","92.916","0.002","95.266","0.002","114.822","0.003","1268.6","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","bis (acetone cis-dioxo(2-oxobenzaldehyde isonicotinylhydrazonato-O, N, O) molybdenum(VI)) hexamolybdate acetone solvate (1/1)","bis (acetone cis-dioxo(2-oxobenzaldehyde isonicotinylhydrazonato- O, N, O) molybdenum(VI)) hexamolybdate acetone solvate (1/1)","","- C35 H38 Mo8 N6 O30 -","- C35 H38 Mo8 N6 O30 -","- C35 H38 Mo8 N6 O30 -","1","0.5","","Vrdoljak, Višnja; Prugovečki, Biserka; Matković-Čalogović, Dubravka; Pisk, Jana","Hybrid organic‒inorganic compounds based on the Lindqvist polyoxomolybdate and dioxomolybdenum(vi) complexes","CrystEngComm","2011","13","13","4382","","10.1039/c0ce00927j","","","0.71073","MoKα","","0.0202","0.0158","","","0.0394","0.0401","","","","","","0.943","","","","has coordinates,has disorder","180392","2020-10-21","18:00:00",""
"7206157","11.0325","0.0003","11.0829","0.0004","14.1157","0.0005","100.866","0.003","105.795","0.003","112.231","0.003","1452.68","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","bis(acetonitrile cis-dioxo(2-oxo-4-methoxybenzaldehyde isonicotinylhydrazonato-O, N,O')molybdenum(VI)) hexamolybdate acetonitrile solvate (1/4)","bis(acetonitrile cis-dioxo(2-oxo-4-methoxybenzaldehyde isonicotinylhydrazonato- O, N,O')molybdenum(VI)) hexamolybdate acetonitrile solvate (1/4)","","- C40 H42 Mo8 N12 O29 -","- C40 H42 Mo8 N12 O29 -","- C40 H42 Mo8 N12 O29 -","1","0.5","","Vrdoljak, Višnja; Prugovečki, Biserka; Matković-Čalogović, Dubravka; Pisk, Jana","Hybrid organic‒inorganic compounds based on the Lindqvist polyoxomolybdate and dioxomolybdenum(vi) complexes","CrystEngComm","2011","13","13","4382","","10.1039/c0ce00927j","","","0.71073","MoKα","","0.0201","0.0148","","","0.037","0.0377","","","","","","1.121","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206158","10.565","0.0003","11.5974","0.0003","12.5744","0.0003","89.039","0.002","72.454","0.002","68.084","0.002","1354.85","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","bis(acetone cis-dioxo(2-oxo-4-methoxybenzaldehyde isonicotinylhydrazonato-O, N, O)molybdenum(VI)) hexamolybdate acetone solvate (1/1)","bis(acetone cis-dioxo(2-oxo-4-methoxybenzaldehyde isonicotinylhydrazonato- O, N, O)molybdenum(VI)) hexamolybdate acetone solvate (1/1)","","- C37 H42 Mo8 N6 O32 -","- C37 H42 Mo8 N6 O32 -","- C37 H42 Mo8 N6 O32 -","1","0.5","","Vrdoljak, Višnja; Prugovečki, Biserka; Matković-Čalogović, Dubravka; Pisk, Jana","Hybrid organic‒inorganic compounds based on the Lindqvist polyoxomolybdate and dioxomolybdenum(vi) complexes","CrystEngComm","2011","13","13","4382","","10.1039/c0ce00927j","","","0.71073","MoKα","","0.0168","0.0159","","","0.0423","0.0428","","","","","","1.107","","","","has coordinates,has disorder","180392","2020-10-21","18:00:00",""
"7206159","11.2754","0.0008","7.9268","0.0005","29.789","0.002","90","","94.231","0.006","90","","2655.2","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(cis-dioxo(2-oxo-4-diethylaminobenzaldehyde isonicotinylhydrazonato-O, N,O)molybdenum(VI)) hexamolybdate aqua (1/4)","bis(cis-dioxo(2-oxo-4-diethylaminobenzaldehyde isonicotinylhydrazonato- O, N,O)molybdenum(VI)) hexamolybdate aqua (1/4)","","- C34 H44 Mo8 N8 O31 -","- C34 H44 Mo8 N8 O31 -","- C68 H88 Mo16 N16 O62 -","2","0.5","","Vrdoljak, Višnja; Prugovečki, Biserka; Matković-Čalogović, Dubravka; Pisk, Jana","Hybrid organic‒inorganic compounds based on the Lindqvist polyoxomolybdate and dioxomolybdenum(vi) complexes","CrystEngComm","2011","13","13","4382","","10.1039/c0ce00927j","","","0.71073","MoKα","","0.063","0.0444","","","0.0758","0.0796","","","","","","1.173","","","","has coordinates,has disorder","180392","2020-10-21","18:00:00",""
"7206160","10.257","0.0002","10.4104","0.0002","15.5335","0.0003","91.935","0.001","97.17","0.002","95.19","0.001","1637.24","0.06","150","2","150","2","","","","","","","","5","P -1","-P 1","2","bis(aqua cis-dioxo(2-oxo-4-diethylaminobenzaldehyde isonicotinylhydrazonato-O, N, O)molybdenum(VI)) hexamolybdate acetone solvate (1/4)","bis(aqua cis-dioxo(2-oxo-4-diethylaminobenzaldehyde isonicotinylhydrazonato- O, N, O)molybdenum(VI)) hexamolybdate acetone solvate (1/4)","","- C46 H66 Mo8 N8 O33 -","- C46 H66 Mo8 N8 O33 -","- C46 H66 Mo8 N8 O33 -","1","0.5","","Vrdoljak, Višnja; Prugovečki, Biserka; Matković-Čalogović, Dubravka; Pisk, Jana","Hybrid organic‒inorganic compounds based on the Lindqvist polyoxomolybdate and dioxomolybdenum(vi) complexes","CrystEngComm","2011","13","13","4382","","10.1039/c0ce00927j","","","0.71073","MoKα","","0.0209","0.0197","","","0.0501","0.0507","","","","","","1.055","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206169","12.2028","0.0012","12.6711","0.0012","17.5676","0.0013","90","","131.125","0.004","90","","2046.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N12 Ru -","- C18 H15 N12 Ru -","- C72 H60 N48 Ru4 -","4","1","","Tan, Yu-Hui; Yang, Li-Fei; Cao, Man-Li; Wu, Jin-Ji; Ye, Bao-Hui","Liquid-assisted solid-state reaction: assembly of (6,3) and (10,3) hydrogen-bonded networks based on [M(Hbiim)3] by oxidation of [M(H2biim)3]2+ complexes in the presence of acetate anions","CrystEngComm","2011","13","14","4512","","10.1039/c1ce00009h","","","0.71073","MoKα","","0.0508","0.0398","","","0.0976","0.1033","","","","","","1.008","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206170","8.1","0.0008","22.692","0.002","12.049","0.0013","90","","96.852","0.002","90","","2198.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 Co N12 O3 -","- C18 H21 Co N12 O3 -","- C72 H84 Co4 N48 O12 -","4","1","","Tan, Yu-Hui; Yang, Li-Fei; Cao, Man-Li; Wu, Jin-Ji; Ye, Bao-Hui","Liquid-assisted solid-state reaction: assembly of (6,3) and (10,3) hydrogen-bonded networks based on [M(Hbiim)3] by oxidation of [M(H2biim)3]2+ complexes in the presence of acetate anions","CrystEngComm","2011","13","14","4512","","10.1039/c1ce00009h","","","0.71073","MoKα","","0.0651","0.0577","","","0.132","0.1364","","","","","","1.011","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206171","12.625","0.0012","20.431","0.002","33.166","0.003","90","","90","","90","","8554.9","1.4","153","2","153","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C38 H31 Co2 N24 O -","- C37.998 H31 Co2 N24 O -","- C303.984 H248 Co16 N192 O8 -","8","1","","Tan, Yu-Hui; Yang, Li-Fei; Cao, Man-Li; Wu, Jin-Ji; Ye, Bao-Hui","Liquid-assisted solid-state reaction: assembly of (6,3) and (10,3) hydrogen-bonded networks based on [M(Hbiim)3] by oxidation of [M(H2biim)3]2+ complexes in the presence of acetate anions","CrystEngComm","2011","13","14","4512","","10.1039/c1ce00009h","","","0.71073","MoKα","","0.0856","0.0529","","","0.1313","0.1477","","","","","","1.063","","","","has coordinates,has disorder","180392","2020-10-21","18:00:00",""
"7206172","12.797","0.003","17.007","0.003","8.2934","0.0017","90","","97.8","0.03","90","","1788.3","0.7","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 N3 O -","- C21 H21 N3 O -","- C84 H84 N12 O4 -","4","1","","Dai, Qing; Liu, Weimin; Zeng, Lintao; Lee, Chun-Sing; Wu, Jiasheng; Wang, Pengfei","Aggregation-induced emission enhancement materials with large red shifts and their self-assembled crystal microstructures","CrystEngComm","2011","13","14","4617","","10.1039/c1ce05035d","","","0.71073","MoKα","","0.0808","0.0631","","","0.118","0.1248","","","","","","1.254","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206173","9.3916","0.0019","11.835","0.002","16.208","0.003","90","","95.66","0.03","90","","1792.7","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 N2 O2 -","- C21 H22 N2 O2 -","- C84 H88 N8 O8 -","4","1","","Dai, Qing; Liu, Weimin; Zeng, Lintao; Lee, Chun-Sing; Wu, Jiasheng; Wang, Pengfei","Aggregation-induced emission enhancement materials with large red shifts and their self-assembled crystal microstructures","CrystEngComm","2011","13","14","4617","","10.1039/c1ce05035d","","","0.71073","MoKα","","0.0598","0.0458","","","0.0989","0.1047","","","","","","1.099","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206174","3.8431","0.0004","20.241","0.002","11.3553","0.0011","90","","95.841","0.002","90","","878.72","0.15","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","7-methoxy-5-methyl-4H-chromen-4-one","","- C11 H10 O3 -","- C11 H10 O3 -","- C44 H40 O12 -","4","1","","Seth, Saikat Kumar; Sarkar, Debayan; Kar, Tanusree","Use of π‒π forces to steer the assembly of chromone derivatives into hydrogen bonded supramolecular layers: crystal structures and Hirshfeld surface analyses","CrystEngComm","2011","13","14","4528","","10.1039/c1ce05037k","","","0.71073","MoKα","","0.0378","0.0356","","","0.0988","0.1002","","","","","","1.132","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206175","7.2934","0.0018","13.423","0.003","9.151","0.002","90","","103.183","0.003","90","","872.3","0.3","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 O2 -","- C11 H10 O2 -","- C44 H40 O8 -","4","1","","Seth, Saikat Kumar; Sarkar, Debayan; Kar, Tanusree","Use of π‒π forces to steer the assembly of chromone derivatives into hydrogen bonded supramolecular layers: crystal structures and Hirshfeld surface analyses","CrystEngComm","2011","13","14","4528","","10.1039/c1ce05037k","","","0.71073","MoKα","","0.0378","0.035","","","0.0952","0.0976","","","","","","1.086","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206176","27.994","0.004","27.994","0.004","19.391","0.006","90","","90","","90","","15196","6","223","2","223","2","","","","","","","","6","I 41","I 4bw","80","","","","- C96 H157 Cl N56 O63 Rb2 -","- C96 H96 Cl N56 O38 Rb2 -","- C384 H384 Cl4 N224 O152 Rb8 -","4","0.5","","Chen, Kai; Cong, Hang; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Zhu, Qian-Jiang; Wei, Gang","Hydroquinone-induced framework based on direct coordination of rubidium ions to cucurbit[7]uril","CrystEngComm","2011","13","16","5105","","10.1039/c1ce05048f","","","0.71073","MoKα","","0.1023","0.0693","","","0.1835","0.1997","","","","","","0.968","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206177","7.3339","0.0013","18.292","0.003","7.0915","0.0012","90","","108.824","0.004","90","","900.5","0.3","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H34 Br2 N2 O2 -","- C12 H34 Br2 N2 O2 -","- C24 H68 Br4 N4 O4 -","2","0.5","","Meazza, Lorenzo; Martí-Rujas, Javier; Terraneo, Giancarlo; Castiglioni, Chiara; Milani, Alberto; Pilati, Tullio; Metrangolo, Pierangelo; Resnati, Giuseppe","Solid-state synthesis of mixed trihalides via reversible absorption of dihalogens by non porous onium salts","CrystEngComm","2011","13","13","4427","","10.1039/c1ce05050h","","","0.71073","MoKα","","0.02","0.0172","","","0.0441","0.0453","","","","","","1.089","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206178","7.4621","0.001","8.1058","0.0011","8.4022","0.0011","94.013","0.01","116.002","0.012","99.107","0.011","445.42","0.12","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H34 Cl2 N2 O2 -","- C12 H34 Cl2 N2 O2 -","- C12 H34 Cl2 N2 O2 -","1","0.5","","Meazza, Lorenzo; Martí-Rujas, Javier; Terraneo, Giancarlo; Castiglioni, Chiara; Milani, Alberto; Pilati, Tullio; Metrangolo, Pierangelo; Resnati, Giuseppe","Solid-state synthesis of mixed trihalides via reversible absorption of dihalogens by non porous onium salts","CrystEngComm","2011","13","13","4427","","10.1039/c1ce05050h","","","0.71073","MoKα","","0.0253","0.0232","","","0.0617","0.0628","","","","","","1.071","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206179","21.45","0.004","7.3232","0.001","7.1474","0.0011","90","","92.31","0.02","90","","1121.8","0.3","296","2","296","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C12 H30 Br6 N2 -","- C12 H30 Br6 N2 -","- C24 H60 Br12 N4 -","2","0.25","","Meazza, Lorenzo; Martí-Rujas, Javier; Terraneo, Giancarlo; Castiglioni, Chiara; Milani, Alberto; Pilati, Tullio; Metrangolo, Pierangelo; Resnati, Giuseppe","Solid-state synthesis of mixed trihalides via reversible absorption of dihalogens by non porous onium salts","CrystEngComm","2011","13","13","4427","","10.1039/c1ce05050h","","","0.71073","MoKα","","0.0751","0.0328","","","0.0723","0.0869","","","","","","1.001","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206180","22.361","0.003","7.5412","0.0012","7.1251","0.001","90","","91.388","0.012","90","","1201.1","0.3","298","2","298","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C12 H30 Cl2 I4 N2 -","- C12 H32 Cl2.0086 I4.0086 N2 -","- C24 H64 Cl4.0172 I8.0172 N4 -","2","0.25","","Meazza, Lorenzo; Martí-Rujas, Javier; Terraneo, Giancarlo; Castiglioni, Chiara; Milani, Alberto; Pilati, Tullio; Metrangolo, Pierangelo; Resnati, Giuseppe","Solid-state synthesis of mixed trihalides via reversible absorption of dihalogens by non porous onium salts","CrystEngComm","2011","13","13","4427","","10.1039/c1ce05050h","","","0.71073","MoKα","","0.04","0.0266","","","0.0594","0.0646","","","","","","1.047","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206181","21.8","0.003","7.2927","0.001","6.8951","0.001","90","","91.743","0.012","90","","1095.7","0.3","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C12 H30 Br4.25 Cl1.75 N2 -","- C12 H30 Br4.252 Cl1.748 N2 -","- C24 H60 Br8.504 Cl3.496 N4 -","2","0.25","","Meazza, Lorenzo; Martí-Rujas, Javier; Terraneo, Giancarlo; Castiglioni, Chiara; Milani, Alberto; Pilati, Tullio; Metrangolo, Pierangelo; Resnati, Giuseppe","Solid-state synthesis of mixed trihalides via reversible absorption of dihalogens by non porous onium salts","CrystEngComm","2011","13","13","4427","","10.1039/c1ce05050h","","","0.71073","MoKα","","0.0428","0.0243","","","0.0509","0.0563","","","","","","1.047","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206182","23.702","0.003","33.368","0.005","20.051","0.003","90","","90","","90","","15858","4","223","2","223","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C104 H164 I6 K6 N60 O67 -","- C104 H102 I6 K6 N60 O47 -","- C416 H408 I24 K24 N240 O188 -","4","0.5","","Feng, Xing; Chen, Kai; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qiang-Jiang; Tao, Zhu; Day, Anthony I.","Stable cucurbit[5]uril MOF structures as ‘beaded’ rings built on a p-hydroxybenzoic acid template—a small molecule absorption material","CrystEngComm","2011","13","16","5049","","10.1039/c1ce05051f","","","0.71073","MoKα","","0.1064","0.0575","","","0.1411","0.1582","","","","","","1.034","","","","has coordinates,has disorder","180392","2020-10-21","18:00:00",""
"7206183","7.9017","0.0016","27.456","0.006","32.408","0.007","90","","95.03","0.03","90","","7004","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33.5 H22 Mn2 N6 O17 -","- C33.5 H17 Mn2 N6 O17 -","- C268 H136 Mn16 N48 O136 -","8","1","","Li, Baiyan; Zhou, Xiaojing; Zhou, Qi; Li, Guanghua; Hua, Jia; Bi, Ye; Li, Yijin; Shi, Zhan; Feng, Shouhua","Design and construction of coordination polymers based on 2,2′-dinitro-4,4′-biphenyldicarboxylate and imidazole-based ligands: The effect of ligand length and metal ions","CrystEngComm","2011","13","14","4592","","10.1039/c1ce05061c","","","0.71073","MoKα","","0.0796","0.0615","","","0.1426","0.1525","","","","","","1.023","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206184","12.803","0.003","12.071","0.002","28.433","0.006","90","","91.13","0.03","90","","4393.3","1.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H35 Co2.5 N7 O20 -","- C39 H15 Co2.5 N8 O20 -","- C156 H60 Co10 N32 O80 -","4","1","","Li, Baiyan; Zhou, Xiaojing; Zhou, Qi; Li, Guanghua; Hua, Jia; Bi, Ye; Li, Yijin; Shi, Zhan; Feng, Shouhua","Design and construction of coordination polymers based on 2,2′-dinitro-4,4′-biphenyldicarboxylate and imidazole-based ligands: The effect of ligand length and metal ions","CrystEngComm","2011","13","14","4592","","10.1039/c1ce05061c","","","0.71073","MoKα","","0.1298","0.0954","","","0.2576","0.2759","","","","","","1.044","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7206185","11.6736","0.0004","28.3206","0.0008","13.208","0.0003","90","","106.597","0.002","90","","4184.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H31 Cu2.5 N8 O18 -","- C39 H31 Cu2.5 N8 O18 -","- C156 H124 Cu10 N32 O72 -","4","1","","Li, Baiyan; Zhou, Xiaojing; Zhou, Qi; Li, Guanghua; Hua, Jia; Bi, Ye; Li, Yijin; Shi, Zhan; Feng, Shouhua","Design and construction of coordination polymers based on 2,2′-dinitro-4,4′-biphenyldicarboxylate and imidazole-based ligands: The effect of ligand length and metal ions","CrystEngComm","2011","13","14","4592","","10.1039/c1ce05061c","","","0.71073","MoKα","","0.0684","0.0342","","","0.0786","0.0992","","","","","","0.982","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206186","10.821","0.002","13.85","0.003","14.788","0.003","70.17","0.03","82.92","0.03","85.58","0.03","2067.5","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H29 N8 O17 Zn2.5 -","- C39 H29 N8 O17 Zn2.5 -","- C78 H58 N16 O34 Zn5 -","2","1","","Li, Baiyan; Zhou, Xiaojing; Zhou, Qi; Li, Guanghua; Hua, Jia; Bi, Ye; Li, Yijin; Shi, Zhan; Feng, Shouhua","Design and construction of coordination polymers based on 2,2′-dinitro-4,4′-biphenyldicarboxylate and imidazole-based ligands: The effect of ligand length and metal ions","CrystEngComm","2011","13","14","4592","","10.1039/c1ce05061c","","","0.71073","MoKα","","0.0422","0.0373","","","0.1027","0.1071","","","","","","1.063","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206187","26.082","0.005","10.575","0.002","14.788","0.003","90","","103.53","0.03","90","","3965.6","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H28 Cd2 N8 O16 -","- C39 H28 Cd2 N8 O16 -","- C156 H112 Cd8 N32 O64 -","4","1","","Li, Baiyan; Zhou, Xiaojing; Zhou, Qi; Li, Guanghua; Hua, Jia; Bi, Ye; Li, Yijin; Shi, Zhan; Feng, Shouhua","Design and construction of coordination polymers based on 2,2′-dinitro-4,4′-biphenyldicarboxylate and imidazole-based ligands: The effect of ligand length and metal ions","CrystEngComm","2011","13","14","4592","","10.1039/c1ce05061c","","","0.71073","MoKα","","0.0293","0.0234","","","0.0499","0.0519","","","","","","1.028","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206188","10.534","0.004","11.3","0.004","12.661","0.005","101.901","0.005","108.73","0.005","99.044","0.004","1355.4","0.9","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H54 La2 N6 O24 -","- C42 H52 La2 N6 O24 -","- C42 H52 La2 N6 O24 -","1","0.5","","Wang, Yu-Ling; Jiang, Yun-Liang; Liu, Qing-Yan; Tan, Yan-Xi; Wei, Jia-Jia; Zhang, Jian","A series of three-dimensional lanthanide(iii) coordination polymers of 2,5-dihydroxy-1,4-benzenedicarboxylic acid based on dinuclear lanthanide units","CrystEngComm","2011","13","15","4981","","10.1039/c1ce05069a","","","0.71073","MoKα","","0.0435","0.0372","","","0.0988","0.1039","","","","","","1.032","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206189","10.523","0.003","11.184","0.003","12.7","0.003","102.98","0.003","109.329","0.003","97.766","0.003","1338.2","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H54 N6 Nd2 O24 -","- C42 H52 N6 Nd2 O24 -","- C42 H52 N6 Nd2 O24 -","1","0.5","","Wang, Yu-Ling; Jiang, Yun-Liang; Liu, Qing-Yan; Tan, Yan-Xi; Wei, Jia-Jia; Zhang, Jian","A series of three-dimensional lanthanide(iii) coordination polymers of 2,5-dihydroxy-1,4-benzenedicarboxylic acid based on dinuclear lanthanide units","CrystEngComm","2011","13","15","4981","","10.1039/c1ce05069a","","","0.71073","MoKα","","0.0339","0.0288","","","0.0742","0.0786","","","","","","1.021","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206190","10.5152","0.0005","11.1058","0.0005","12.7396","0.0006","103.891","0.002","109.709","0.002","96.684","0.002","1327.53","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H54 N6 O24 Sm2 -","- C42 H54 N6 O24 Sm2 -","- C42 H54 N6 O24 Sm2 -","1","0.5","","Wang, Yu-Ling; Jiang, Yun-Liang; Liu, Qing-Yan; Tan, Yan-Xi; Wei, Jia-Jia; Zhang, Jian","A series of three-dimensional lanthanide(iii) coordination polymers of 2,5-dihydroxy-1,4-benzenedicarboxylic acid based on dinuclear lanthanide units","CrystEngComm","2011","13","15","4981","","10.1039/c1ce05069a","","","0.71073","MoKα","","0.0357","0.0318","","","0.085","0.0882","","","","","","1.027","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206191","10.5226","0.0009","11.0545","0.0009","12.7711","0.0011","103.826","0.001","110.024","0.001","96.602","0.001","1323.41","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H54 Gd2 N6 O24 -","- C42 H54 Gd2 N6 O24 -","- C42 H54 Gd2 N6 O24 -","1","0.5","","Wang, Yu-Ling; Jiang, Yun-Liang; Liu, Qing-Yan; Tan, Yan-Xi; Wei, Jia-Jia; Zhang, Jian","A series of three-dimensional lanthanide(iii) coordination polymers of 2,5-dihydroxy-1,4-benzenedicarboxylic acid based on dinuclear lanthanide units","CrystEngComm","2011","13","15","4981","","10.1039/c1ce05069a","","","0.71073","MoKα","","0.0463","0.0348","","","0.0853","0.0923","","","","","","1.012","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206192","10.5507","0.0009","10.9265","0.001","12.8978","0.0011","103.184","0.001","111.147","0.001","96.566","0.001","1318.2","0.2","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H54 Er2 N6 O24 -","- C42 H54 Er2 N6 O24 -","- C42 H54 Er2 N6 O24 -","1","0.5","","Wang, Yu-Ling; Jiang, Yun-Liang; Liu, Qing-Yan; Tan, Yan-Xi; Wei, Jia-Jia; Zhang, Jian","A series of three-dimensional lanthanide(iii) coordination polymers of 2,5-dihydroxy-1,4-benzenedicarboxylic acid based on dinuclear lanthanide units","CrystEngComm","2011","13","15","4981","","10.1039/c1ce05069a","","","0.71073","MoKα","","0.044","0.0363","","","0.0821","0.087","","","","","","1.039","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206193","7.9911","0.0001","9.675","0.0002","12.5109","0.0003","69.055","0.003","81.27","0.003","73.033","0.003","862.81","0.04","173","2","173","2","","","","","","","","5","P -1","-P 1","2","thiophanate-ethyl","","","- C14 H18 N4 O4 S2 -","- C14 H18 N4 O4 S2 -","- C28 H36 N8 O8 S4 -","2","1","","Nauha, Elisa; Ojala, Antti; Nissinen, Maija; Saxell, Heidi","Comparison of the polymorphs and solvates of two analogous fungicides—a case study of the applicability of a supramolecular synthon approach in crystal engineering","CrystEngComm","2011","13","15","4956","","10.1039/c1ce05077j","","","1.54178","CuKα","","0.052","0.0458","","","0.1235","0.1299","","","","","","1.031","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206194","4.7271","0.0001","16.0239","0.0003","22.645","0.0004","90","","93.75","0.003","90","","1711.61","0.06","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","thiphanate-ethyl","","","- C14 H18 N4 O4 S2 -","- C14 H18 N4 O4 S2 -","- C56 H72 N16 O16 S8 -","4","1","","Nauha, Elisa; Ojala, Antti; Nissinen, Maija; Saxell, Heidi","Comparison of the polymorphs and solvates of two analogous fungicides—a case study of the applicability of a supramolecular synthon approach in crystal engineering","CrystEngComm","2011","13","15","4956","","10.1039/c1ce05077j","","","1.54178","CuKα","","0.0898","0.055","","","0.112","0.1283","","","","","","1.06","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206195","16.0607","0.0002","17.4629","0.0002","8.456","0.0001","90","","111.432","0.003","90","","2207.63","0.06","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H24 N4 O5 S2 -","- C17 H24 N4 O5 S2 -","- C68 H96 N16 O20 S8 -","4","0.5","","Nauha, Elisa; Ojala, Antti; Nissinen, Maija; Saxell, Heidi","Comparison of the polymorphs and solvates of two analogous fungicides—a case study of the applicability of a supramolecular synthon approach in crystal engineering","CrystEngComm","2011","13","15","4956","","10.1039/c1ce05077j","","","1.54178","CuKα","","0.0393","0.0359","","","0.0936","0.0967","","","","","","1.047","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206196","15.5158","0.0003","18.0503","0.0004","8.5922","0.0002","90","","112.739","0.003","90","","2219.34","0.1","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H19 Cl3 N4 O4 S2 -","- C15 H19 Cl3 N4 O4 S2 -","- C60 H76 Cl12 N16 O16 S8 -","4","0.5","","Nauha, Elisa; Ojala, Antti; Nissinen, Maija; Saxell, Heidi","Comparison of the polymorphs and solvates of two analogous fungicides—a case study of the applicability of a supramolecular synthon approach in crystal engineering","CrystEngComm","2011","13","15","4956","","10.1039/c1ce05077j","","","1.54178","CuKα","","0.0893","0.0755","","","0.1918","0.2058","","","","","","1.034","","","","has coordinates,has disorder","180392","2020-10-21","18:00:00",""
"7206197","16.8293","0.0003","17.0275","0.0003","8.2545","0.0002","90","","111.119","0.003","90","","2206.54","0.09","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H26 N4 O6 S2 -","- C18 H26 N4 O6 S2 -","- C72 H104 N16 O24 S8 -","4","0.5","","Nauha, Elisa; Ojala, Antti; Nissinen, Maija; Saxell, Heidi","Comparison of the polymorphs and solvates of two analogous fungicides—a case study of the applicability of a supramolecular synthon approach in crystal engineering","CrystEngComm","2011","13","15","4956","","10.1039/c1ce05077j","","","1.54178","CuKα","","0.0704","0.0633","","","0.1799","0.187","","","","","","1.105","","","","has coordinates,has disorder","180392","2020-10-21","18:00:00",""
"7206198","9.2924","0.0002","11.707","0.0003","12.1305","0.0003","65.555","0.002","68.864","0.002","76.329","0.003","1114.6","0.05","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H26 N4 O6 S2 -","- C18 H26 N4 O6 S2 -","- C36 H52 N8 O12 S4 -","2","1","","Nauha, Elisa; Ojala, Antti; Nissinen, Maija; Saxell, Heidi","Comparison of the polymorphs and solvates of two analogous fungicides—a case study of the applicability of a supramolecular synthon approach in crystal engineering","CrystEngComm","2011","13","15","4956","","10.1039/c1ce05077j","","","1.54178","CuKα","","0.0575","0.0444","","","0.1089","0.1175","","","","","","1.022","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206199","8.8104","0.0009","11.3513","0.0013","12.5","0.002","66.635","0.007","77.989","0.006","77.883","0.005","1111.1","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H23 N5 O4 S2 -","- C19 H23 N5 O4 S2 -","- C38 H46 N10 O8 S4 -","2","1","","Nauha, Elisa; Ojala, Antti; Nissinen, Maija; Saxell, Heidi","Comparison of the polymorphs and solvates of two analogous fungicides—a case study of the applicability of a supramolecular synthon approach in crystal engineering","CrystEngComm","2011","13","15","4956","","10.1039/c1ce05077j","","","0.71073","MoKα","","0.0757","0.053","","","0.0985","0.1096","","","","","","1.077","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206200","11.7631","0.0002","11.7631","0.0002","48.5257","0.0008","90","","90","","90","","6714.5","0.2","173","2","173","2","","","","","","","","5","P 43 2 2","P 4cw 2c","95","","","","- C56 H70 N12 O12 S6 -","- C56 H70 N12 O12 S6 -","- C224 H280 N48 O48 S24 -","4","0.5","","Nauha, Elisa; Ojala, Antti; Nissinen, Maija; Saxell, Heidi","Comparison of the polymorphs and solvates of two analogous fungicides—a case study of the applicability of a supramolecular synthon approach in crystal engineering","CrystEngComm","2011","13","15","4956","","10.1039/c1ce05077j","","","1.54178","CuKα","","0.0631","0.0434","","","0.0987","0.1084","","","","","","1.043","","","","has coordinates,has disorder","180393","2020-10-21","18:00:00",""
"7206201","10.7333","0.0005","11.8079","0.0007","16.2174","0.0012","95.293","0.003","100.405","0.004","113.044","0.004","1829.9","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 N4 O4 S2 -","- C14 H18 N4 O4 S2 -","- C56 H72 N16 O16 S8 -","4","2","","Nauha, Elisa; Ojala, Antti; Nissinen, Maija; Saxell, Heidi","Comparison of the polymorphs and solvates of two analogous fungicides—a case study of the applicability of a supramolecular synthon approach in crystal engineering","CrystEngComm","2011","13","15","4956","","10.1039/c1ce05077j","","","1.54178","CuKα","","0.0963","0.0603","","","0.1413","0.1633","","","","","","1.026","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206202","16.1404","0.0003","17.3754","0.0003","8.2332","0.0002","90","","110.996","0.003","90","","2155.66","0.09","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H20 Cl2 N4 O4 S2 -","- C15 H20 Cl2 N4 O4 S2 -","- C60 H80 Cl8 N16 O16 S8 -","4","0.5","","Nauha, Elisa; Ojala, Antti; Nissinen, Maija; Saxell, Heidi","Comparison of the polymorphs and solvates of two analogous fungicides—a case study of the applicability of a supramolecular synthon approach in crystal engineering","CrystEngComm","2011","13","15","4956","","10.1039/c1ce05077j","","","1.54178","CuKα","","0.1739","0.1591","","","0.4149","0.422","","","","","","1.172","","","","has coordinates,has disorder","180393","2020-10-21","18:00:00",""
"7206203","10.6942","0.0002","5.73","0.0001","15.4546","0.0005","90","","108.438","0.0009","90","","898.41","0.04","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C6 H16 Cl6 Cu N12 -","- C6 H16 Cl6 Cu N12 -","- C12 H32 Cl12 Cu2 N24 -","2","0.5","","Weng, Dan-Feng; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Polymorphism of (H2mela)2[CuCl5]Cl (mela = melamine): structures, transformation and magnetic properties","CrystEngComm","2011","13","14","4683","","10.1039/c1ce05143a","","","0.71073","MoKα","","0.0451","0.0285","","","0.0715","0.0759","","","","","","1.021","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7206204","5.6857","0.0001","15.0893","0.0004","10.3687","0.0003","90","","92.8634","0.0008","90","","888.45","0.04","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C6 H16 Cl6 Cu N12 -","- C6 H16 Cl6 Cu N12 -","- C12 H32 Cl12 Cu2 N24 -","2","0.5","","Weng, Dan-Feng; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Polymorphism of (H2mela)2[CuCl5]Cl (mela = melamine): structures, transformation and magnetic properties","CrystEngComm","2011","13","14","4683","","10.1039/c1ce05143a","","","0.71073","MoKα","","0.0509","0.0299","","","0.0723","0.0765","","","","","","1.024","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7206205","7.7821","0.0016","7.0635","0.0014","11.62","0.002","90","","90","","90","","638.7","0.2","296","2","296","2","1300000","","1300000","","","","","4","P b c a","-P 2ac 2ab","61","chloroacetonitrile","chloroacetonitrile","","- C2 H2 Cl N -","- C2 H2 Cl N -","- C16 H16 Cl8 N8 -","8","1","","Olejniczak, Anna; Katrusiak, Andrzej","Structure‒property relations in chloroacetonitriles","CrystEngComm","2011","13","16","5212","","10.1039/c1ce05144j","","","0.71073","MoKα","","0.058","0.0493","","","0.0995","0.1043","","","","","","1.068","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206206","5.936","0.0012","17.94","0.004","7.547","0.0015","90","","92.44","0.03","90","","803","0.3","296","2","296","2","1000000","","1000000","","","","","4","P 1 21/c 1","-P 2ybc","14","dichloroacetonitrile","dichloroacetonitrile","","- C2 H Cl2 N -","- C2 H Cl2 N -","- C16 H8 Cl16 N8 -","8","2","","Olejniczak, Anna; Katrusiak, Andrzej","Structure‒property relations in chloroacetonitriles","CrystEngComm","2011","13","16","5212","","10.1039/c1ce05144j","","","0.71073","MoKα","","0.2091","0.0794","","","0.1439","0.1994","","","","","","1.081","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206207","15.251","0.002","15.251","0.002","8.1219","0.0016","90","","90","","90","","1889.1","0.5","296","2","296","2","900000","","900000","","","","","3","I 41 c d","I 4bw -2c","110","trichloroacetonitrile","trichloroacetonitrile","","- C2 Cl3 N -","- C2 Cl3 N -","- C32 Cl48 N16 -","16","1","","Olejniczak, Anna; Katrusiak, Andrzej","Structure‒property relations in chloroacetonitriles","CrystEngComm","2011","13","16","5212","","10.1039/c1ce05144j","","","0.71073","MoKα","","0.0707","0.0636","","","0.1613","0.1724","","","","","","1.125","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206208","9.3455","0.0007","6.7383","0.0004","14.6868","0.0012","90","","101.529","0.004","90","","906.21","0.11","123.1","","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H25 N O3 -","- C22 H25 N O3 -","- C44 H50 N2 O6 -","2","1","","Ichikawa, Akio; Ono, Hiroshi; Echigo, Takuya; Mikata, Yuji","Crystal structures and chiral recognition of the diastereomeric salts prepared from 2-methoxy-2-(1-naphthyl)propanoic acid","CrystEngComm","2011","13","14","4536","","10.1039/c1ce05155e","","","0.7107","MoKα","","","0.0494","","","","0.122","","","","","","1.089","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206209","11.3857","0.0009","6.7698","0.0003","12.7237","0.0009","90","","103.73","0.003","90","","952.7","0.11","123.1","","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H25 N O3 -","- C22 H25 N O3 -","- C44 H50 N2 O6 -","2","1","","Ichikawa, Akio; Ono, Hiroshi; Echigo, Takuya; Mikata, Yuji","Crystal structures and chiral recognition of the diastereomeric salts prepared from 2-methoxy-2-(1-naphthyl)propanoic acid","CrystEngComm","2011","13","14","4536","","10.1039/c1ce05155e","","","0.7107","MoKα","","","0.0403","","","","0.0991","","","","","","1.13","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206210","9.17","0.0018","9.949","0.002","12.068","0.002","102.98","0.03","104.75","0.03","98.51","0.03","1012.6","0.4","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 Cl2 N4 Zn -","- C20 H22 Cl2 N4 Zn -","- C40 H44 Cl4 N8 Zn2 -","2","1","","Jing, Wang; Ren, Zhi-Gang; Dai, Ming; Chen, Yang; Lang, Jian-Ping","Novel Zn and Cd coordination polymers of 1,1′-(1,6-hexanediyl)bis-1H-benzimidazole: solvothermal synthesis, crystal structures and photoluminescence properties","CrystEngComm","2011","13","16","5111","","10.1039/c1ce05156c","","","0.71073","MoKα","","0.0712","0.0464","","","0.0948","0.1048","","","","","","1.058","","","","has coordinates,has disorder","180393","2020-10-21","18:00:00",""
"7206211","9.2071","0.0018","10.196","0.002","12.285","0.003","102.64","0.03","105.75","0.03","98.64","0.03","1055.7","0.5","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 Br2 N4 Zn -","- C20 H22 Br2 N4 Zn -","- C40 H44 Br4 N8 Zn2 -","2","1","","Jing, Wang; Ren, Zhi-Gang; Dai, Ming; Chen, Yang; Lang, Jian-Ping","Novel Zn and Cd coordination polymers of 1,1′-(1,6-hexanediyl)bis-1H-benzimidazole: solvothermal synthesis, crystal structures and photoluminescence properties","CrystEngComm","2011","13","16","5111","","10.1039/c1ce05156c","","","0.71073","MoKα","","0.1564","0.0863","","","0.2023","0.2452","","","","","","1.071","","","","has coordinates,has disorder","180393","2020-10-21","18:00:00",""
"7206212","8.575","0.0017","11.228","0.002","14.062","0.003","92.39","0.03","106.67","0.03","107.85","0.03","1222","0.5","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H23 Cd I2 N4 O0.5 -","- C20 H23 Cd I2 N4 O0.5 -","- C40 H46 Cd2 I4 N8 O -","2","1","","Jing, Wang; Ren, Zhi-Gang; Dai, Ming; Chen, Yang; Lang, Jian-Ping","Novel Zn and Cd coordination polymers of 1,1′-(1,6-hexanediyl)bis-1H-benzimidazole: solvothermal synthesis, crystal structures and photoluminescence properties","CrystEngComm","2011","13","16","5111","","10.1039/c1ce05156c","","","0.71073","MoKα","","0.1034","0.0662","","","0.1513","0.1696","","","","","","1.06","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206213","12.056","0.002","12.055","0.002","12.71","0.003","90","","93.09","0.03","90","","1844.5","0.6","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H44 Cd Cl2 N8 -","- C40 H44 Cd Cl2 N8 -","- C80 H88 Cd2 Cl4 N16 -","2","0.5","","Jing, Wang; Ren, Zhi-Gang; Dai, Ming; Chen, Yang; Lang, Jian-Ping","Novel Zn and Cd coordination polymers of 1,1′-(1,6-hexanediyl)bis-1H-benzimidazole: solvothermal synthesis, crystal structures and photoluminescence properties","CrystEngComm","2011","13","16","5111","","10.1039/c1ce05156c","","","0.71073","MoKα","","0.0841","0.0571","","","0.0838","0.0922","","","","","","1.129","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206214","8.7552","0.0018","9.486","0.0019","16.064","0.003","93.72","0.03","94.91","0.03","98.88","0.03","1309.2","0.5","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H62 Cd3 N8 O12 -","- C52 H62 Cd3 N8 O12 -","- C52 H62 Cd3 N8 O12 -","1","0.5","","Jing, Wang; Ren, Zhi-Gang; Dai, Ming; Chen, Yang; Lang, Jian-Ping","Novel Zn and Cd coordination polymers of 1,1′-(1,6-hexanediyl)bis-1H-benzimidazole: solvothermal synthesis, crystal structures and photoluminescence properties","CrystEngComm","2011","13","16","5111","","10.1039/c1ce05156c","","","0.71073","MoKα","","0.0498","0.0339","","","0.0778","0.0834","","","","","","1.038","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206215","22.382","0.003","22.382","0.003","11.243","0.002","90","","90","","90","","5632.2","1.5","223","2","223","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C28 H34 N4 O8 Zn2 -","- C28 H34 N4 O8 Zn2 -","- C224 H272 N32 O64 Zn16 -","8","0.5","","Jing, Wang; Ren, Zhi-Gang; Dai, Ming; Chen, Yang; Lang, Jian-Ping","Novel Zn and Cd coordination polymers of 1,1′-(1,6-hexanediyl)bis-1H-benzimidazole: solvothermal synthesis, crystal structures and photoluminescence properties","CrystEngComm","2011","13","16","5111","","10.1039/c1ce05156c","","","0.71073","MoKα","","0.0637","0.0478","","","0.0968","0.1037","","","","","","1.109","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206216","11.807","0.008","7.545","0.005","3.737","0.003","90","","93.532","0.008","90","","332.3","0.4","295","2","295","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C4 H4 Cd Cl2 N2 -","- C4 H4 Cd Cl2 N2 -","- C8 H8 Cd2 Cl4 N4 -","2","0.25","","Lusi, Matteo; Atwood, Jerry L.; MacGillivray, Leonard R.; Barbour, Leonard J.","Isostructural coordination polymers: epitaxis vs. solid solution","CrystEngComm","2011","13","13","4311","","10.1039/c1ce05164d","","","0.71073","MoKα","","0.0445","0.0445","","","0.1197","0.1197","","","","","","1.159","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206217","12.02","0.03","6.883","0.014","3.712","0.008","90","","95.82","0.02","90","","305.5","1.2","295","2","295","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C4 H4 Cl2 Cu N2 -","- C4 H4 Cl2 Cu N2 -","- C8 H8 Cl4 Cu2 N4 -","2","0.25","","Lusi, Matteo; Atwood, Jerry L.; MacGillivray, Leonard R.; Barbour, Leonard J.","Isostructural coordination polymers: epitaxis vs. solid solution","CrystEngComm","2011","13","13","4311","","10.1039/c1ce05164d","","","0.71073","MoKα","","0.0385","0.0345","","","0.0926","0.0977","","","","","","1.131","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206218","10.2396","0.001","8.1042","0.0008","7.8045","0.0008","90","","100.031","0.01","90","","637.75","0.11","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H Br2 N O2 -","- C4 H Br2 N O2 -","- C16 H4 Br8 N4 O8 -","4","1","","Pilati, Tullio; Cozzi, Franco","Structures of hydro-, chloro-, and bromo-substituted maleimides and 2,6-diaminopyridines, and of some of their 1 : 1 heterodimers","CrystEngComm","2011","13","14","4549","","10.1039/c1ce05166k","","","0.71073","MoKα","","0.0378","0.0243","","","0.0534","0.0577","","","","","","1.039","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206219","6.9498","0.0008","8.5107","0.0011","11.2025","0.0012","100.225","0.012","98.246","0.011","95.329","0.011","640.56","0.14","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H6 Br2 Cl2 N4 O2 -","- C9 H6 Br2 Cl2 N4 O2 -","- C18 H12 Br4 Cl4 N8 O4 -","2","1","","Pilati, Tullio; Cozzi, Franco","Structures of hydro-, chloro-, and bromo-substituted maleimides and 2,6-diaminopyridines, and of some of their 1 : 1 heterodimers","CrystEngComm","2011","13","14","4549","","10.1039/c1ce05166k","","","0.71073","MoKα","","0.034","0.0233","","","0.0513","0.0546","","","","","","1.044","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206220","3.8217","0.0006","22.432","0.003","13.711","0.002","90","","97.809","0.012","90","","1164.5","0.3","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 Br2 N4 O2 -","- C9 H8 Br2 N4 O2 -","- C36 H32 Br8 N16 O8 -","4","1","","Pilati, Tullio; Cozzi, Franco","Structures of hydro-, chloro-, and bromo-substituted maleimides and 2,6-diaminopyridines, and of some of their 1 : 1 heterodimers","CrystEngComm","2011","13","14","4549","","10.1039/c1ce05166k","","","0.71073","MoKα","","0.0628","0.0391","","","0.0893","0.0982","","","","","","1.065","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206221","12.267","0.002","11.93","0.002","4.9664","0.001","90","","90","","90","","726.8","0.2","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","2,3-diamino-3,5-dibromopyridine","","- C5 H5 Br2 N3 -","- C5 H5 Br2 N3 -","- C20 H20 Br8 N12 -","4","0.5","","Pilati, Tullio; Cozzi, Franco","Structures of hydro-, chloro-, and bromo-substituted maleimides and 2,6-diaminopyridines, and of some of their 1 : 1 heterodimers","CrystEngComm","2011","13","14","4549","","10.1039/c1ce05166k","","","0.71073","MoKα","","0.0341","0.0228","","","0.0506","0.0544","","","","","","1.027","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206222","7.274","0.003","8.086","0.003","10.35","0.004","90","","101.35","0.02","90","","596.9","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H Cl2 N O2 -","- C4 H Cl2 N O2 -","- C16 H4 Cl8 N4 O8 -","4","1","","Pilati, Tullio; Cozzi, Franco","Structures of hydro-, chloro-, and bromo-substituted maleimides and 2,6-diaminopyridines, and of some of their 1 : 1 heterodimers","CrystEngComm","2011","13","14","4549","","10.1039/c1ce05166k","","","0.71073","MoKα","","0.0742","0.0339","","","0.0853","0.0979","","","","","","1.038","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206223","7.1818","0.0006","7.8344","0.0007","11.6453","0.0015","101.979","0.011","101.519","0.011","97.213","0.01","618.44","0.12","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H6 Cl4 N4 O2 -","- C9 H6 Cl4 N4 O2 -","- C18 H12 Cl8 N8 O4 -","2","1","","Pilati, Tullio; Cozzi, Franco","Structures of hydro-, chloro-, and bromo-substituted maleimides and 2,6-diaminopyridines, and of some of their 1 : 1 heterodimers","CrystEngComm","2011","13","14","4549","","10.1039/c1ce05166k","","","0.71073","MoKα","","0.046","0.0342","","","0.0911","0.0964","","","","","","1.052","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206224","3.7835","0.0018","11.45","0.006","13.799","0.007","97.018","0.018","96.799","0.018","96.993","0.017","583.5","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H8 Cl2 N4 O2 -","- C9 H8 Cl2 N4 O2 -","- C18 H16 Cl4 N8 O4 -","2","1","","Pilati, Tullio; Cozzi, Franco","Structures of hydro-, chloro-, and bromo-substituted maleimides and 2,6-diaminopyridines, and of some of their 1 : 1 heterodimers","CrystEngComm","2011","13","14","4549","","10.1039/c1ce05166k","","","0.71073","MoKα","","0.065","0.0403","","","0.0952","0.1093","","","","","","1.028","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206225","5.5503","0.0002","5.5503","0.0002","38.4073","0.0009","90","","90","","90","","1183.17","0.07","298","2","298","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C4 H Cl2 N O2 -","- C4 H Cl2 N O2 -","- C32 H8 Cl16 N8 O16 -","8","1","","Pilati, Tullio; Cozzi, Franco","Structures of hydro-, chloro-, and bromo-substituted maleimides and 2,6-diaminopyridines, and of some of their 1 : 1 heterodimers","CrystEngComm","2011","13","14","4549","","10.1039/c1ce05166k","","","0.71073","MoKα","","0.0292","0.0265","","","0.0691","0.0696","","","","","","1.168","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206226","11.5523","0.0012","23.163","0.002","4.9721","0.0003","90","","90","","90","","1330.5","0.2","103","2","103","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C5 H5 Cl2 N3 -","- C5 H5 Cl2 N3 -","- C40 H40 Cl16 N24 -","8","1","","Pilati, Tullio; Cozzi, Franco","Structures of hydro-, chloro-, and bromo-substituted maleimides and 2,6-diaminopyridines, and of some of their 1 : 1 heterodimers","CrystEngComm","2011","13","14","4549","","10.1039/c1ce05166k","","","0.71073","MoKα","","0.0232","0.0218","","","0.0578","0.0591","","","","","","1.073","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206227","6.8874","0.0008","7.5131","0.001","11.0277","0.0016","78.312","0.008","83.145","0.01","83.916","0.01","552.84","0.13","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H8 Cl2 N4 O2 -","- C9 H8 Cl2 N4 O2 -","- C18 H16 Cl4 N8 O4 -","2","1","","Pilati, Tullio; Cozzi, Franco","Structures of hydro-, chloro-, and bromo-substituted maleimides and 2,6-diaminopyridines, and of some of their 1 : 1 heterodimers","CrystEngComm","2011","13","14","4549","","10.1039/c1ce05166k","","","0.71073","MoKα","","0.0866","0.0515","","","0.1165","0.1316","","","","","","1.056","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206228","14.1686","0.0015","20.559","0.002","6.927","0.0006","90","","99.575","0.011","90","","1989.7","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 N4 O2 -","- C9 H10 N4 O2 -","- C72 H80 N32 O16 -","8","2","","Pilati, Tullio; Cozzi, Franco","Structures of hydro-, chloro-, and bromo-substituted maleimides and 2,6-diaminopyridines, and of some of their 1 : 1 heterodimers","CrystEngComm","2011","13","14","4549","","10.1039/c1ce05166k","","","0.71073","MoKα","","0.0533","0.0348","","","0.0834","0.0987","","","","","","1.056","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206229","9.808","0.003","10.109","0.003","10.965","0.003","77.197","0.004","81.634","0.004","68.888","0.004","986.4","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H36 Co2 N4 O8 -","- C42 H36 Co2 N4 O8 -","- C42 H36 Co2 N4 O8 -","1","0.5","","Ma, Lu-Fang; Li, Xiu-Qin; Bin-Liu,; Wang, Li-Ya; Hou, Hong-Wei","Syntheses, structures and magnetic properties of cobalt(ii) and nickel(ii) complexes based on 5-methylisophthalate and different dipyridyl-containing ligands","CrystEngComm","2011","13","15","4973","","10.1039/c1ce05177f","","","0.71073","MoKα","","0.097","0.0498","","","0.0986","0.119","","","","","","1.035","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206230","8.9767","0.0009","10.168","0.0011","11.8647","0.0012","68.405","0.001","84.338","0.001","78.187","0.001","985.29","0.18","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H40 Co2 N4 O8 -","- C44 H40 Co2 N4 O8 -","- C44 H40 Co2 N4 O8 -","1","0.5","","Ma, Lu-Fang; Li, Xiu-Qin; Bin-Liu,; Wang, Li-Ya; Hou, Hong-Wei","Syntheses, structures and magnetic properties of cobalt(ii) and nickel(ii) complexes based on 5-methylisophthalate and different dipyridyl-containing ligands","CrystEngComm","2011","13","15","4973","","10.1039/c1ce05177f","","","0.71073","MoKα","","0.0339","0.0318","","","0.0924","0.0946","","","","","","1.048","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206231","9.7609","0.001","10.1202","0.0011","10.9656","0.0012","76.443","0.001","81.092","0.001","68.742","0.001","978.45","0.18","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 N2 Ni O4 -","- C21 H18 N2 Ni O4 -","- C42 H36 N4 Ni2 O8 -","2","1","","Ma, Lu-Fang; Li, Xiu-Qin; Bin-Liu,; Wang, Li-Ya; Hou, Hong-Wei","Syntheses, structures and magnetic properties of cobalt(ii) and nickel(ii) complexes based on 5-methylisophthalate and different dipyridyl-containing ligands","CrystEngComm","2011","13","15","4973","","10.1039/c1ce05177f","","","0.71073","MoKα","","0.0305","0.027","","","0.0695","0.0718","","","","","","1.025","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206232","10.1421","0.0011","10.3265","0.0011","11.6938","0.0012","70.97","0.001","77.524","0.001","65.567","0.001","1049.4","0.19","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H22 N2 Ni O5 -","- C22 H22 N2 Ni O5 -","- C44 H44 N4 Ni2 O10 -","2","1","","Ma, Lu-Fang; Li, Xiu-Qin; Bin-Liu,; Wang, Li-Ya; Hou, Hong-Wei","Syntheses, structures and magnetic properties of cobalt(ii) and nickel(ii) complexes based on 5-methylisophthalate and different dipyridyl-containing ligands","CrystEngComm","2011","13","15","4973","","10.1039/c1ce05177f","","","0.71073","MoKα","","0.0271","0.0249","","","0.0628","0.0641","","","","","","1.053","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206233","10.811","0.001","12.298","0.001","19.58","0.001","82.23","0.004","79.12","0.005","64.53","0.005","2303.7","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H36 N18 O23 -","- C30 H36 N18 O23 -","- C60 H72 N36 O46 -","2","1","","SeethaLekshmi, Sunil; Guru Row, T. N.","Propensity of formation of zipper architecture vs. Lincoln log arrangement in solvated molecular complexes of melamine with hydroxybenzoic acids","CrystEngComm","2011","13","15","4886","","10.1039/c1ce05179b","","","0.71073","MoKα","","0.1432","0.0797","","","0.2058","0.2257","","","","","","1.112","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206234","15.788","0.001","12.16","0.001","7.161","","90","","96.56","0.005","90","","1365.78","0.14","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 N6 O6 -","- C10 H16 N6 O6 -","- C40 H64 N24 O24 -","4","1","","SeethaLekshmi, Sunil; Guru Row, T. N.","Propensity of formation of zipper architecture vs. Lincoln log arrangement in solvated molecular complexes of melamine with hydroxybenzoic acids","CrystEngComm","2011","13","15","4886","","10.1039/c1ce05179b","","","0.71073","MoKα","","0.1108","0.0659","","","0.1608","0.1773","","","","","","0.9","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206235","38.011","0.005","9.212","0.005","20.43","0.005","90","0.005","99.437","0.005","90","0.005","7057","4","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H18 N7 O6 -","- C13 H15 N7 O6 -","- C208 H240 N112 O96 -","16","2","","SeethaLekshmi, Sunil; Guru Row, T. N.","Propensity of formation of zipper architecture vs. Lincoln log arrangement in solvated molecular complexes of melamine with hydroxybenzoic acids","CrystEngComm","2011","13","15","4886","","10.1039/c1ce05179b","","","0.71073","MoKα","","0.1367","0.0784","","","0.2389","0.2652","","","","","","0.972","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206236","14.372","0.001","8.549","0.001","20.671","0.002","90","0.007","114.23","","90","","2316","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 N6 O4 -","- C10 H12 N6 O4 -","- C80 H96 N48 O32 -","8","2","","SeethaLekshmi, Sunil; Guru Row, T. N.","Propensity of formation of zipper architecture vs. Lincoln log arrangement in solvated molecular complexes of melamine with hydroxybenzoic acids","CrystEngComm","2011","13","15","4886","","10.1039/c1ce05179b","","","0.71073","MoKα","","0.1371","0.0464","","","0.0838","0.0984","","","","","","0.771","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206237","16.691","0.008","8.577","0.004","20.692","0.008","90","","117.83","0.03","90","","2620","2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H27 N13 O6 -","- C22 H27 N13 O6 -","- C88 H108 N52 O24 -","4","1","","SeethaLekshmi, Sunil; Guru Row, T. N.","Propensity of formation of zipper architecture vs. Lincoln log arrangement in solvated molecular complexes of melamine with hydroxybenzoic acids","CrystEngComm","2011","13","15","4886","","10.1039/c1ce05179b","","","0.71073","MoKα","","0.166","0.0712","","","0.162","0.1805","","","","","","0.689","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206238","7.571","","10.857","0.001","16.477","0.001","87.12","0.005","85.51","0.005","82.63","0.005","1337.96","0.15","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H16 N6 O5 -","- C10 H16 N6 O5 -","- C40 H64 N24 O20 -","4","2","","SeethaLekshmi, Sunil; Guru Row, T. N.","Propensity of formation of zipper architecture vs. Lincoln log arrangement in solvated molecular complexes of melamine with hydroxybenzoic acids","CrystEngComm","2011","13","15","4886","","10.1039/c1ce05179b","","","0.71073","MoKα","","0.0837","0.0459","","","0.1032","0.1119","","","","","","0.944","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206239","10.7451","0.0007","8.1032","0.0005","15.3586","0.001","90","","109.279","0.001","90","","1262.28","0.14","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 I N O -","- C13 H12 I N O -","- C52 H48 I4 N4 O4 -","4","1","","Yoshida, Jun; Fuchiwaki, Junta; Nishikiori, Shin-Ichi","Structural transformation of pyridinium iodide proceeding in the solid state","CrystEngComm","2011","13","14","4635","","10.1039/c1ce05193h","","","0.71073","MoKα","","0.0332","0.0247","","","","0.061","","","","","","1.007","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206240","9.1134","0.0003","11.0264","0.0004","14.6077","0.0006","90","","90","","90","","1467.9","0.09","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C13 H12 I2 N O -","- C13 H12 I2 N O -","- C52 H48 I8 N4 O4 -","4","1","","Yoshida, Jun; Fuchiwaki, Junta; Nishikiori, Shin-Ichi","Structural transformation of pyridinium iodide proceeding in the solid state","CrystEngComm","2011","13","14","4635","","10.1039/c1ce05193h","","","0.71073","MoKα","","0.0145","0.0136","","","","0.0306","","","","","","1.065","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206241","9.5788","0.0008","7.8985","0.0007","42.819","0.004","90","","90","","90","","3239.6","0.5","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H12 I3 N O -","- C13 H12 I3 N O -","- C104 H96 I24 N8 O8 -","8","1","","Yoshida, Jun; Fuchiwaki, Junta; Nishikiori, Shin-Ichi","Structural transformation of pyridinium iodide proceeding in the solid state","CrystEngComm","2011","13","14","4635","","10.1039/c1ce05193h","","","0.71073","MoKα","","0.0524","0.0419","","","","0.0772","","","","","","1.191","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206242","9.835","0.002","13.839","0.003","21.881","0.005","96.492","0.004","100.32","0.005","104.967","0.004","2790.5","1.1","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H42 In2 N4 O13 -","- C66 H40 In2 N4 O13 -","- C132 H80 In4 N8 O26 -","2","1","","Platero-Prats, Ana E.; Bernini, María C.; Medina, Manuela E.; López-Torres, Elena; Gutiérrez-Puebla, Enrique; Ángeles Monge, M.; Snejko, Natalia","Three novel indium MOFs derived from diphenic acid: synthesis, crystal structures and supramolecular chemistry","CrystEngComm","2011","13","15","4965","","10.1039/c1ce05196b","","","0.71073","MoKα","","0.1247","0.0752","","","0.1614","0.2003","","","","","","1.087","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206243","10.7789","0.0003","8.2923","0.0002","19.6538","0.0005","90","","95.031","0.001","90","","1749.93","0.08","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H13.5 In N O5.25 -","- C19 H13 In N O5.25 -","- C76 H52 In4 N4 O21 -","4","1","","Platero-Prats, Ana E.; Bernini, María C.; Medina, Manuela E.; López-Torres, Elena; Gutiérrez-Puebla, Enrique; Ángeles Monge, M.; Snejko, Natalia","Three novel indium MOFs derived from diphenic acid: synthesis, crystal structures and supramolecular chemistry","CrystEngComm","2011","13","15","4965","","10.1039/c1ce05196b","","","1.54178","CuKα","","0.0918","0.0739","","","0.2276","0.2452","","","","","","1.065","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206244","12.8039","0.0009","14.0375","0.0009","18.358","0.001","90","","90","","90","","3299.6","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H27 In N2 O9 -","- C38 H27 In N2 O9 -","- C152 H108 In4 N8 O36 -","4","1","","Platero-Prats, Ana E.; Bernini, María C.; Medina, Manuela E.; López-Torres, Elena; Gutiérrez-Puebla, Enrique; Ángeles Monge, M.; Snejko, Natalia","Three novel indium MOFs derived from diphenic acid: synthesis, crystal structures and supramolecular chemistry","CrystEngComm","2011","13","15","4965","","10.1039/c1ce05196b","","","0.71073","MoKα","","0.0519","0.0398","","","0.0621","0.0646","","","","","","1.073","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206245","9.9495","0.0006","13.0898","0.0008","13.2297","0.0008","82.543","0.001","85.472","0.001","80.571","0.001","1682.41","0.18","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H54 In2 N4 O18 -","- C76 H54 In2 N4 O18 -","- C76 H54 In2 N4 O18 -","1","0.5","","Platero-Prats, Ana E.; Bernini, María C.; Medina, Manuela E.; López-Torres, Elena; Gutiérrez-Puebla, Enrique; Ángeles Monge, M.; Snejko, Natalia","Three novel indium MOFs derived from diphenic acid: synthesis, crystal structures and supramolecular chemistry","CrystEngComm","2011","13","15","4965","","10.1039/c1ce05196b","","","0.71073","MoKα","","0.061","0.0405","","","0.086","0.0922","","","","","","1.054","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206246","10.6135","0.0012","11.6513","0.0013","14.0949","0.0015","75.745","0.002","68.609","0.002","88.736","0.002","1568.5","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H50 In2 N4 O16 -","- C76 H50 In2 N4 O16 -","- C76 H50 In2 N4 O16 -","1","0.5","","Platero-Prats, Ana E.; Bernini, María C.; Medina, Manuela E.; López-Torres, Elena; Gutiérrez-Puebla, Enrique; Ángeles Monge, M.; Snejko, Natalia","Three novel indium MOFs derived from diphenic acid: synthesis, crystal structures and supramolecular chemistry","CrystEngComm","2011","13","15","4965","","10.1039/c1ce05196b","","","0.71073","MoKα","","0.1009","0.0652","","","0.0979","0.1072","","","","","","1.049","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206247","8.4186","0.001","12.573","0.0015","13.2177","0.0015","79.947","0.002","84.258","0.002","79.707","0.002","1352","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H16 N2 O3 -","- C14 H16 N2 O3 -","- C56 H64 N8 O12 -","4","2","","Zhang, Zhenfeng; Wu, Yanbo; Zhang, Guisheng","N⋯π and O⋯π interactions rather than “directed” hydrogen bonding in the crystal packing of ethyl (Z)-2-cyano-3-[(4-alkoxyphenyl)amino]prop-2-enoates","CrystEngComm","2011","13","14","4496","","10.1039/c1ce05199g","","","0.71073","MoKα","","0.0799","0.0464","","","0.1207","0.1451","","","","","","1.023","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206248","4.4026","0.0014","10.667","0.003","13.823","0.004","76.294","0.004","86.681","0.004","89.165","0.004","629.6","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C26 H28 N4 O6 -","2","1","","Zhang, Zhenfeng; Wu, Yanbo; Zhang, Guisheng","N⋯π and O⋯π interactions rather than “directed” hydrogen bonding in the crystal packing of ethyl (Z)-2-cyano-3-[(4-alkoxyphenyl)amino]prop-2-enoates","CrystEngComm","2011","13","14","4496","","10.1039/c1ce05199g","","","0.71073","MoKα","","0.089","0.049","","","0.1188","0.143","","","","","","1.037","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206249","27.3936","0.0002","27.3936","0.0002","27.3936","0.0002","90","","90","","90","","20556.4","0.3","150","2","150","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C156 H192 B6 Cu6 F24 N42 O42 -","- C156 H132 B6 Cu6 F24 N42 O42 -","- C624 H528 B24 Cu24 F96 N168 O168 -","4","0.166667","","Liu, Yu; Li, Kang; Wei, Shi-Chao; Pan, Mei; Su, Cheng-Yong","Structural tuning of meso-hexamer, chiral-trimer and chiral-chain by anion directed supramolecular interactions","CrystEngComm","2011","13","14","4564","","10.1039/c1ce05210a","","","1.54178","CuKα","","0.1","0.0621","","","0.1659","0.1833","","","","","","1.017","","","","has coordinates,has disorder","180393","2020-10-21","18:00:00",""
"7206250","26.5623","0.0004","17.5464","0.0002","42.0801","0.0008","90","","104.125","0.002","90","","19019.4","0.5","150","2","150","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C324 H356 Cu12 F36 N88 O60 Si6 -","- C324 H292 Cu12 F36 N88 O60 Si6 -","- C648 H584 Cu24 F72 N176 O120 Si12 -","2","0.25","","Liu, Yu; Li, Kang; Wei, Shi-Chao; Pan, Mei; Su, Cheng-Yong","Structural tuning of meso-hexamer, chiral-trimer and chiral-chain by anion directed supramolecular interactions","CrystEngComm","2011","13","14","4564","","10.1039/c1ce05210a","","","0.71073","MoKα","","0.0915","0.0605","","","0.1663","0.1764","","","","","","1.08","","","","has coordinates,has disorder","180393","2020-10-21","18:00:00",""
"7206251","13.9659","0.0005","13.2766","0.0005","18.0272","0.0006","90","","104.667","0.003","90","","3233.7","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H33 Cu N7 O6 S -","- C34 H33 Cu N7 O6 S -","- C136 H132 Cu4 N28 O24 S4 -","4","1","","Liu, Yu; Li, Kang; Wei, Shi-Chao; Pan, Mei; Su, Cheng-Yong","Structural tuning of meso-hexamer, chiral-trimer and chiral-chain by anion directed supramolecular interactions","CrystEngComm","2011","13","14","4564","","10.1039/c1ce05210a","","","0.71073","MoKα","","0.101","0.0447","","","0.0707","0.0771","","","","","","1.013","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206252","24.7325","0.0008","12.9895","0.0007","20.3885","0.0008","90","","105.252","0.004","90","","6319.4","0.5","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C116 H118 Cl4 Cu4 N30 O38 -","- C116 H98 Cl4 Cu4 N30 O38 -","- C232 H196 Cl8 Cu8 N60 O76 -","2","0.25","","Liu, Yu; Li, Kang; Wei, Shi-Chao; Pan, Mei; Su, Cheng-Yong","Structural tuning of meso-hexamer, chiral-trimer and chiral-chain by anion directed supramolecular interactions","CrystEngComm","2011","13","14","4564","","10.1039/c1ce05210a","","","1.54178","CuKα","","0.0937","0.0629","","","0.1661","0.1811","","","","","","1.006","","","","has coordinates,has disorder","180393","2020-10-21","18:00:00",""
"7206253","24.6794","0.001","12.4257","0.0005","21.1689","0.0009","90","","104.994","0.004","90","","6270.6","0.5","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H34 Cu N8.5 O10.25 -","- C29 H24.5 Cu N8.5 O10.25 -","- C232 H196 Cu8 N68 O82 -","8","1","","Liu, Yu; Li, Kang; Wei, Shi-Chao; Pan, Mei; Su, Cheng-Yong","Structural tuning of meso-hexamer, chiral-trimer and chiral-chain by anion directed supramolecular interactions","CrystEngComm","2011","13","14","4564","","10.1039/c1ce05210a","","","1.54178","CuKα","","0.0936","0.0625","","","0.1607","0.1755","","","","","","1.009","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7206254","20.4796","0.0008","12.5996","0.0005","23.1723","0.0012","90","","104.953","0.005","90","","5776.8","0.5","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C115 H116 Cu4 N32 O26 -","- C115 H100 Cu4 N32 O26 -","- C230 H200 Cu8 N64 O52 -","2","0.5","","Liu, Yu; Li, Kang; Wei, Shi-Chao; Pan, Mei; Su, Cheng-Yong","Structural tuning of meso-hexamer, chiral-trimer and chiral-chain by anion directed supramolecular interactions","CrystEngComm","2011","13","14","4564","","10.1039/c1ce05210a","","","0.71073","MoKα","","0.2455","0.077","","","0.0947","0.1113","","","","","","1.023","","","","has coordinates,has disorder","180393","2020-10-21","18:00:00",""
"7206255","10.2659","0.0004","20.0891","0.0008","10.3753","0.0004","90","","100.633","0.001","90","","2102.99","0.14","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H32 Mo8 N4 O26 -","- C26 H32 Mo8 N4 O26 -","- C52 H64 Mo16 N8 O52 -","2","0.5","","Niu, Yun-Yin; Wang, Ling-Fang; Lv, Xiao-Rui; Du, Hai-Juan; Qiao, Yong-Zhen; Wang, Hong-Mei; Song, Li-Sha; Wu, Ben-Lai; Hou, Hong-Wei; Ng, Seik Weng","Construction and isomeric transformation of polyoxometalates directed by 1,ω-bis(pyridinium)alkane templates","CrystEngComm","2011","13","16","5071","","10.1039/c1ce05245d","","","0.71073","MoKα","","0.0296","0.0254","","","0.0626","0.0646","","","","","","1.041","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206256","9.68","0.0006","10.4525","0.0006","12.2127","0.0008","65.766","0.001","79.868","0.001","70.754","0.001","1062.63","0.11","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 Mo4 N2 O13 -","- C14 H18 Mo4 N2 O13 -","- C28 H36 Mo8 N4 O26 -","2","1","","Niu, Yun-Yin; Wang, Ling-Fang; Lv, Xiao-Rui; Du, Hai-Juan; Qiao, Yong-Zhen; Wang, Hong-Mei; Song, Li-Sha; Wu, Ben-Lai; Hou, Hong-Wei; Ng, Seik Weng","Construction and isomeric transformation of polyoxometalates directed by 1,ω-bis(pyridinium)alkane templates","CrystEngComm","2011","13","16","5071","","10.1039/c1ce05245d","","","0.71073","MoKα","","0.0235","0.0222","","","0.0646","0.0656","","","","","","1.056","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206257","10.434","0.002","20.632","0.004","11.583","0.002","90","","107.98","0.03","90","","2371.7","0.9","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 Mo4 N2 O13 -","- C15 H20 Mo4 N2 O13 -","- C60 H80 Mo16 N8 O52 -","4","1","","Niu, Yun-Yin; Wang, Ling-Fang; Lv, Xiao-Rui; Du, Hai-Juan; Qiao, Yong-Zhen; Wang, Hong-Mei; Song, Li-Sha; Wu, Ben-Lai; Hou, Hong-Wei; Ng, Seik Weng","Construction and isomeric transformation of polyoxometalates directed by 1,ω-bis(pyridinium)alkane templates","CrystEngComm","2011","13","16","5071","","10.1039/c1ce05245d","","","0.71073","MoKα","","0.0549","0.0517","","","0.133","0.1358","","","","","","1.097","","","","has coordinates,has disorder","180393","2020-10-21","18:00:00",""
"7206258","9.6722","0.0006","9.8924","0.0006","12.7236","0.0008","105.829","0.001","94.873","0.001","95.76","0.001","1157.28","0.12","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H22 Mo4 N2 O13 -","- C16 H22 Mo4 N2 O13 -","- C32 H44 Mo8 N4 O26 -","2","1","","Niu, Yun-Yin; Wang, Ling-Fang; Lv, Xiao-Rui; Du, Hai-Juan; Qiao, Yong-Zhen; Wang, Hong-Mei; Song, Li-Sha; Wu, Ben-Lai; Hou, Hong-Wei; Ng, Seik Weng","Construction and isomeric transformation of polyoxometalates directed by 1,ω-bis(pyridinium)alkane templates","CrystEngComm","2011","13","16","5071","","10.1039/c1ce05245d","","","0.71073","MoKα","","0.0302","0.0263","","","0.0613","0.0635","","","","","","1.037","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206259","11.2831","0.0007","18.3289","0.0011","11.9515","0.0007","90","","90.873","0.001","90","","2471.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H48 Mo8 N4 O26 -","- C34 H48 Mo8 N4 O26 -","- C68 H96 Mo16 N8 O52 -","2","0.5","","Niu, Yun-Yin; Wang, Ling-Fang; Lv, Xiao-Rui; Du, Hai-Juan; Qiao, Yong-Zhen; Wang, Hong-Mei; Song, Li-Sha; Wu, Ben-Lai; Hou, Hong-Wei; Ng, Seik Weng","Construction and isomeric transformation of polyoxometalates directed by 1,ω-bis(pyridinium)alkane templates","CrystEngComm","2011","13","16","5071","","10.1039/c1ce05245d","","","0.71073","MoKα","","0.0235","0.0216","","","0.0588","0.06","","","","","","1.06","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206260","15.5447","0.0008","10.1543","0.0005","16.6922","0.0008","90","","90.059","0.001","90","","2634.8","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H52 Mo8 N4 O26 -","- C36 H52 Mo8 N4 O26 -","- C72 H104 Mo16 N8 O52 -","2","0.5","","Niu, Yun-Yin; Wang, Ling-Fang; Lv, Xiao-Rui; Du, Hai-Juan; Qiao, Yong-Zhen; Wang, Hong-Mei; Song, Li-Sha; Wu, Ben-Lai; Hou, Hong-Wei; Ng, Seik Weng","Construction and isomeric transformation of polyoxometalates directed by 1,ω-bis(pyridinium)alkane templates","CrystEngComm","2011","13","16","5071","","10.1039/c1ce05245d","","","0.71073","MoKα","","0.0287","0.0254","","","0.0622","0.0641","","","","","","1.069","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206261","22.684","0.002","13.1384","0.0012","19.4278","0.0017","90","","108.619","0.001","90","","5487.1","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C76 H112 Mo16 N8 O52 -","- C76 H112 Mo16 N8 O52 -","- C152 H224 Mo32 N16 O104 -","2","0.5","","Niu, Yun-Yin; Wang, Ling-Fang; Lv, Xiao-Rui; Du, Hai-Juan; Qiao, Yong-Zhen; Wang, Hong-Mei; Song, Li-Sha; Wu, Ben-Lai; Hou, Hong-Wei; Ng, Seik Weng","Construction and isomeric transformation of polyoxometalates directed by 1,ω-bis(pyridinium)alkane templates","CrystEngComm","2011","13","16","5071","","10.1039/c1ce05245d","","","0.71073","MoKα","","0.1013","0.0915","","","0.2277","0.2427","","","","","","1.053","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206262","11.1947","0.0008","17.5265","0.0013","14.1876","0.001","90","","97.351","0.001","90","","2760.8","0.3","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H60 Mo8 N4 O26 -","- C40 H60 Mo8 N4 O26 -","- C80 H120 Mo16 N8 O52 -","2","0.5","","Niu, Yun-Yin; Wang, Ling-Fang; Lv, Xiao-Rui; Du, Hai-Juan; Qiao, Yong-Zhen; Wang, Hong-Mei; Song, Li-Sha; Wu, Ben-Lai; Hou, Hong-Wei; Ng, Seik Weng","Construction and isomeric transformation of polyoxometalates directed by 1,ω-bis(pyridinium)alkane templates","CrystEngComm","2011","13","16","5071","","10.1039/c1ce05245d","","","0.71073","MoKα","","0.033","0.0299","","","0.0796","0.0825","","","","","","1.05","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206263","12.5763","0.0008","13.0193","0.0009","17.646","0.0012","90","","99.014","0.001","90","","2853.6","0.3","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H64 Mo8 N4 O26 -","- C42 H64 Mo8 N4 O26 -","- C84 H128 Mo16 N8 O52 -","2","0.5","","Niu, Yun-Yin; Wang, Ling-Fang; Lv, Xiao-Rui; Du, Hai-Juan; Qiao, Yong-Zhen; Wang, Hong-Mei; Song, Li-Sha; Wu, Ben-Lai; Hou, Hong-Wei; Ng, Seik Weng","Construction and isomeric transformation of polyoxometalates directed by 1,ω-bis(pyridinium)alkane templates","CrystEngComm","2011","13","16","5071","","10.1039/c1ce05245d","","","0.71073","MoKα","","0.0233","0.0211","","","0.0532","0.0542","","","","","","1.107","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206264","12.5475","0.0007","16.7311","0.001","14.5205","0.0008","90","","97.365","0.001","90","","3023.2","0.3","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H68 Mo8 N4 O26 -","- C44 H68 Mo8 N4 O26 -","- C88 H136 Mo16 N8 O52 -","2","0.5","","Niu, Yun-Yin; Wang, Ling-Fang; Lv, Xiao-Rui; Du, Hai-Juan; Qiao, Yong-Zhen; Wang, Hong-Mei; Song, Li-Sha; Wu, Ben-Lai; Hou, Hong-Wei; Ng, Seik Weng","Construction and isomeric transformation of polyoxometalates directed by 1,ω-bis(pyridinium)alkane templates","CrystEngComm","2011","13","16","5071","","10.1039/c1ce05245d","","","0.71073","MoKα","","0.0282","0.0231","","","0.054","0.0567","","","","","","1.034","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206265","5.6711","0.0011","8.1633","0.0016","8.5872","0.0017","93.01","0.004","103.997","0.004","93.971","0.004","383.83","0.13","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H14 N4 -","- C20 H14 N4 -","- C20 H14 N4 -","1","0.5","","Lee, Hong-Jyun; Cheng, Pi-Yun; Chen, Chih-Yuan; Shen, Jiun-Shian; Nandi, Debkumar; Lee, Hon Man","Controlled assembly of an unprecedented 2D + 3D interpenetrated array of (4,4)-connected and pcu topologies","CrystEngComm","2011","13","15","4814","","10.1039/c1ce05247k","","x-ray","0.71073","MoKα","","0.0522","0.0408","","","0.1161","0.1209","","","","","","1.277","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206266","8.587","0.002","10.268","0.003","11.825","0.003","93.996","0.006","98.019","0.006","92.232","0.006","1028.7","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H32 Cl4 Co N10 O6 -","- C42 H32 Cl4 Co N10 O6 -","- C42 H32 Cl4 Co N10 O6 -","1","0.5","","Lee, Hong-Jyun; Cheng, Pi-Yun; Chen, Chih-Yuan; Shen, Jiun-Shian; Nandi, Debkumar; Lee, Hon Man","Controlled assembly of an unprecedented 2D + 3D interpenetrated array of (4,4)-connected and pcu topologies","CrystEngComm","2011","13","15","4814","","10.1039/c1ce05247k","","x-ray","0.71073","MoKα","","0.1853","0.0663","","","0.1431","0.1745","","","","","","0.808","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206267","10.1791","0.0005","13.7563","0.0006","16.5846","0.0008","66.855","0.002","87.383","0.003","86.095","0.003","2129.96","0.18","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H37 Co N12 O7 -","- C50 H37 Co N12 O7 -","- C100 H74 Co2 N24 O14 -","2","1","","Lee, Hong-Jyun; Cheng, Pi-Yun; Chen, Chih-Yuan; Shen, Jiun-Shian; Nandi, Debkumar; Lee, Hon Man","Controlled assembly of an unprecedented 2D + 3D interpenetrated array of (4,4)-connected and pcu topologies","CrystEngComm","2011","13","15","4814","","10.1039/c1ce05247k","","x-ray","0.71073","MoKα","","0.1171","0.0555","","","0.1276","0.1463","","","","","","1.052","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206268","11.2647","0.0013","13.312","0.0017","13.6154","0.0017","61.92","0.004","71.986","0.004","75.482","0.004","1699.6","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H56 Co2 N12 O11 -","- C76 H56 Co2 N12 O11 -","- C76 H56 Co2 N12 O11 -","1","0.5","","Lee, Hong-Jyun; Cheng, Pi-Yun; Chen, Chih-Yuan; Shen, Jiun-Shian; Nandi, Debkumar; Lee, Hon Man","Controlled assembly of an unprecedented 2D + 3D interpenetrated array of (4,4)-connected and pcu topologies","CrystEngComm","2011","13","15","4814","","10.1039/c1ce05247k","","x-ray","0.71073","MoKα","","0.1443","0.0536","","","0.107","0.1346","","","","","","0.914","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206269","24.492","0.005","16.886","0.003","25.983","0.005","90","","90","","90","","10746","4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C108 H92 Mn4 N8 O26 S4 -","- C107.96 H92 Mn4 N8 O26 S4 -","- C431.84 H368 Mn16 N32 O104 S16 -","4","0.5","","Chen, Haiyan; Xiao, Dongrong; He, Jianghong; Li, Zhifu; Zhang, Guangju; Sun, Dianzhen; Yuan, Ruo; Wang, Enbo; Luo, Qun-Li","A series of novel entangled coordination frameworks with inherent features of self-threading, polyrotaxane and polycatenane","CrystEngComm","2011","13","15","4988","","10.1039/c1ce05254c","","","0.71073","MoKα","","0.1268","0.0649","","","0.1582","0.1983","","","","","","1.034","","","","has coordinates,has disorder","180393","2020-10-21","18:00:00",""
"7206270","12.519","0.003","22.829","0.005","11.917","0.002","90","","105.89","0.03","90","","3275.7","1.3","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C32 H24 Mn2 N3 O13 S2 -","- C32 H17 Mn2 N3 O13 S2 -","- C128 H68 Mn8 N12 O52 S8 -","4","0.5","","Chen, Haiyan; Xiao, Dongrong; He, Jianghong; Li, Zhifu; Zhang, Guangju; Sun, Dianzhen; Yuan, Ruo; Wang, Enbo; Luo, Qun-Li","A series of novel entangled coordination frameworks with inherent features of self-threading, polyrotaxane and polycatenane","CrystEngComm","2011","13","15","4988","","10.1039/c1ce05254c","","","0.71073","MoKα","","0.0926","0.0752","","","0.1411","0.1474","","","","","","1.639","","","","has coordinates,has disorder","180393","2020-10-21","18:00:00",""
"7206271","12.401","0.003","12.606","0.003","13.664","0.003","70.84","0.03","69.99","0.03","62.04","0.03","1736.2","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H58 Mn4 N4 O30 S4 -","- C66 H58 Mn4 N4 O30 S4 -","- C66 H58 Mn4 N4 O30 S4 -","1","0.5","","Chen, Haiyan; Xiao, Dongrong; He, Jianghong; Li, Zhifu; Zhang, Guangju; Sun, Dianzhen; Yuan, Ruo; Wang, Enbo; Luo, Qun-Li","A series of novel entangled coordination frameworks with inherent features of self-threading, polyrotaxane and polycatenane","CrystEngComm","2011","13","15","4988","","10.1039/c1ce05254c","","","0.71073","MoKα","","0.0445","0.0391","","","0.1164","0.1219","","","","","","1.089","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206272","9.2542","0.0019","12.022","0.002","13.235","0.003","80.84","0.03","79.36","0.03","86.47","0.03","1427.9","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H30 N4 Ni O10 S -","- C24 H28 N4 Ni O10 S -","- C48 H56 N8 Ni2 O20 S2 -","2","1","","Chen, Haiyan; Xiao, Dongrong; He, Jianghong; Li, Zhifu; Zhang, Guangju; Sun, Dianzhen; Yuan, Ruo; Wang, Enbo; Luo, Qun-Li","A series of novel entangled coordination frameworks with inherent features of self-threading, polyrotaxane and polycatenane","CrystEngComm","2011","13","15","4988","","10.1039/c1ce05254c","","","0.71073","MoKα","","0.0687","0.0633","","","0.2047","0.213","","","","","","1.07","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206273","9.1045","0.0003","19.8708","0.0006","26.5094","0.0008","90","","97.067","0.002","90","","4759.5","0.3","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C50 H46 N8 Ni2 O11 -","- C50 H44 N8 Ni2 O11 -","- C200 H176 N32 Ni8 O44 -","4","1","","Chen, Haiyan; Xiao, Dongrong; He, Jianghong; Li, Zhifu; Zhang, Guangju; Sun, Dianzhen; Yuan, Ruo; Wang, Enbo; Luo, Qun-Li","A series of novel entangled coordination frameworks with inherent features of self-threading, polyrotaxane and polycatenane","CrystEngComm","2011","13","15","4988","","10.1039/c1ce05254c","","","0.71073","MoKα","","0.0609","0.0488","","","0.1302","0.1386","","","","","","1.001","","","","has coordinates,has disorder","180393","2020-10-21","18:00:00",""
"7206274","11.502","0.002","13.122","0.003","13.598","0.003","95.81","0.03","108.69","0.03","109.68","0.03","1779.5","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H50 Co3 N4 O24 S4 -","- C76 H48 Co3 N4 O24 S4 -","- C76 H48 Co3 N4 O24 S4 -","1","0.5","","Chen, Haiyan; Xiao, Dongrong; He, Jianghong; Li, Zhifu; Zhang, Guangju; Sun, Dianzhen; Yuan, Ruo; Wang, Enbo; Luo, Qun-Li","A series of novel entangled coordination frameworks with inherent features of self-threading, polyrotaxane and polycatenane","CrystEngComm","2011","13","15","4988","","10.1039/c1ce05254c","","","0.71073","MoKα","","0.108","0.0564","","","0.1142","0.135","","","","","","1.015","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206275","8.8825","0.0019","9.736","0.002","19.949","0.005","86.367","0.012","82.052","0.01","74.5","0.008","1645.8","0.6","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H46 N2 O9 -","- C36 H46 N2 O9 -","- C72 H92 N4 O18 -","2","1","","Serpell, Christopher J.; Thomas, Owen; Odell, Barbara; Claridge, Timothy D. W.; Chall, Ricky; Thompson, Amber L.; Beer, Paul D.","Dimeric self-association of an isophthalamide macrocycle in solution and the solid state","CrystEngComm","2011","13","14","4586","","10.1039/c1ce05271c","","","0.71073","MoKα","","0.1579","0.1236","","0.247","0.2289","0.247","","","","","","1.0927","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206276","20.1979","0.0006","19.3405","0.0005","9.0377","0.0002","90","","99.6836","0.001","90","","3480.16","0.16","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H46 N2 O9 -","- C36 H46 N2 O9 -","- C144 H184 N8 O36 -","4","1","","Serpell, Christopher J.; Thomas, Owen; Odell, Barbara; Claridge, Timothy D. W.; Chall, Ricky; Thompson, Amber L.; Beer, Paul D.","Dimeric self-association of an isophthalamide macrocycle in solution and the solid state","CrystEngComm","2011","13","14","4586","","10.1039/c1ce05271c","","","0.71073","MoKα","","0.09","0.0565","","0.1309","0.1123","0.1308","","","","","","0.9514","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206277","10.2724","0.0002","13.2776","0.0002","13.7434","0.0003","68.6691","0.001","83.2934","0.0009","70.409","0.0009","1644.98","0.06","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H46 N2 O9 -","- C36 H46 N2 O9 -","- C72 H92 N4 O18 -","2","1","","Serpell, Christopher J.; Thomas, Owen; Odell, Barbara; Claridge, Timothy D. W.; Chall, Ricky; Thompson, Amber L.; Beer, Paul D.","Dimeric self-association of an isophthalamide macrocycle in solution and the solid state","CrystEngComm","2011","13","14","4586","","10.1039/c1ce05271c","","","0.71073","MoKα","","0.0658","0.056","","0.1656","0.1558","0.1655","","","","","","0.908","","","","has coordinates,has disorder","202017","2020-10-21","18:00:00",""
"7206278","8.864","0.013","9.554","0.014","21.89","0.04","82.63","0.04","82.94","0.05","74.7","0.05","1766","5","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C37 H50 N2 O10 -","- C37 H50 N2 O10 -","- C74 H100 N4 O20 -","2","1","","Serpell, Christopher J.; Thomas, Owen; Odell, Barbara; Claridge, Timothy D. W.; Chall, Ricky; Thompson, Amber L.; Beer, Paul D.","Dimeric self-association of an isophthalamide macrocycle in solution and the solid state","CrystEngComm","2011","13","14","4586","","10.1039/c1ce05271c","","","0.6889","Synchrotron","","0.1223","0.107","","0.301","0.2861","0.301","","","","","","1.0092","","","","has coordinates,has disorder","180393","2020-10-21","18:00:00",""
"7206279","8.8442","0.0001","18.9677","0.0002","23.0861","0.0003","108.763","0.0004","90.3014","0.0004","102.059","0.0005","3575.06","0.07","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C36.5 H47 Cl N2 O9 -","- C36.5 H47 Cl N2 O9 -","- C146 H188 Cl4 N8 O36 -","4","2","","Serpell, Christopher J.; Thomas, Owen; Odell, Barbara; Claridge, Timothy D. W.; Chall, Ricky; Thompson, Amber L.; Beer, Paul D.","Dimeric self-association of an isophthalamide macrocycle in solution and the solid state","CrystEngComm","2011","13","14","4586","","10.1039/c1ce05271c","","","0.71073","MoKα","","0.1256","0.0885","","0.2828","0.232","0.2828","","","","","","0.9709","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7206280","50.61","0.03","9.703","0.006","19.082","0.011","90","","110.46","0.006","90","","8779","9","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H46 F5 I N2 O9 -","- C42 H46 F5 I N2 O9 -","- C336 H368 F40 I8 N16 O72 -","8","1","","Serpell, Christopher J.; Thomas, Owen; Odell, Barbara; Claridge, Timothy D. W.; Chall, Ricky; Thompson, Amber L.; Beer, Paul D.","Dimeric self-association of an isophthalamide macrocycle in solution and the solid state","CrystEngComm","2011","13","14","4586","","10.1039/c1ce05271c","","","0.6889","Synchrotron","","0.1126","0.0917","","0.1154","0.1028","0.1028","","","","","","1.2305","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7206281","11.2663","0.0003","14.6885","0.0005","22.7937","0.0007","101.33","0.0013","102.202","0.0014","95.3807","0.0012","3578.74","0.19","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C37.5 H49 N2 O9.5 -","- C37.5 H49 N2 O9.5 -","- C150 H196 N8 O38 -","4","2","","Serpell, Christopher J.; Thomas, Owen; Odell, Barbara; Claridge, Timothy D. W.; Chall, Ricky; Thompson, Amber L.; Beer, Paul D.","Dimeric self-association of an isophthalamide macrocycle in solution and the solid state","CrystEngComm","2011","13","14","4586","","10.1039/c1ce05271c","","","0.71073","MoKα","","0.1387","0.0663","","0.0938","0.0587","0.0587","","","","","","1.0746","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7206282","13.5639","0.0001","16.2244","0.0001","19.8583","0.0002","102.619","0.0004","92.0868","0.0004","113.495","0.0004","3873.6","0.06","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C39.5 H51.25 N3.75 O9 -","- C39.5 H51.25 N3.75 O9 -","- C158 H205 N15 O36 -","4","2","","Serpell, Christopher J.; Thomas, Owen; Odell, Barbara; Claridge, Timothy D. W.; Chall, Ricky; Thompson, Amber L.; Beer, Paul D.","Dimeric self-association of an isophthalamide macrocycle in solution and the solid state","CrystEngComm","2011","13","14","4586","","10.1039/c1ce05271c","","","0.71073","MoKα","","0.0661","0.0562","","0.1441","0.1368","0.1439","","","","","","0.9236","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7206283","14.5077","0.0007","15.0789","0.0007","16.3192","0.0013","107.611","0.003","100.282","0.003","110.437","0.002","3022.8","0.3","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C106 H130 Fe3 N24 O40 S6 -","- C106 H130 Fe3 N24 O40 S6 -","- C106 H130 Fe3 N24 O40 S6 -","1","0.5","","Savard, Didier; Cook, Cyril; Enright, Gary D.; Korobkov, Ilia; Burchell, Tara J.; Murugesu, Muralee","Gradual spin crossover behaviour in a linear trinuclear FeII complex","CrystEngComm","2011","13","16","5190","","10.1039/c1ce05275f","","","0.71073","MoKα","","0.0579","0.0389","","","0.0921","0.1011","","","","","","1.02","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206284","14.613","0.0007","15.196","0.0007","16.3954","0.0008","107.505","0.002","99.989","0.003","110.731","0.002","3083.3","0.3","181","1","181","1","","","","","","","","6","P -1","-P 1","2","","","","- C106 H130 Fe3 N24 O40 S6 -","- C106 H130 Fe3 N24 O40 S6 -","- C106 H130 Fe3 N24 O40 S6 -","1","0.5","","Savard, Didier; Cook, Cyril; Enright, Gary D.; Korobkov, Ilia; Burchell, Tara J.; Murugesu, Muralee","Gradual spin crossover behaviour in a linear trinuclear FeII complex","CrystEngComm","2011","13","16","5190","","10.1039/c1ce05275f","","","0.71073","MoKα","","0.0739","0.0412","","","0.0872","0.0995","","","","","","1.031","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206285","14.677","0.005","15.268","0.005","16.48","0.005","107.59","0.004","99.874","0.004","110.825","0.004","3124.9","1.8","203","2","203","2","","","","","","","","6","P -1","-P 1","2","","","","- C106 H130 Co3 N24 O40 S6 -","- C106 H130 Co3 N24 O40 S6 -","- C106 H130 Co3 N24 O40 S6 -","1","0.5","","Savard, Didier; Cook, Cyril; Enright, Gary D.; Korobkov, Ilia; Burchell, Tara J.; Murugesu, Muralee","Gradual spin crossover behaviour in a linear trinuclear FeII complex","CrystEngComm","2011","13","16","5190","","10.1039/c1ce05275f","","","0.71073","MoKα","","0.1396","0.0671","","","0.1309","0.1541","","","","","","1.035","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206286","13.5049","0.0016","14.7832","0.0018","17.414","0.002","65.672","0.002","69.922","0.002","83.052","0.002","2974.5","0.6","203","2","203","2","","","","","","","","6","P -1","-P 1","2","","","","- C98 H114 Co3 N24 O40 S6 -","- C98 H114 Co3 N24 O40 S6 -","- C98 H114 Co3 N24 O40 S6 -","1","0.5","","Savard, Didier; Cook, Cyril; Enright, Gary D.; Korobkov, Ilia; Burchell, Tara J.; Murugesu, Muralee","Gradual spin crossover behaviour in a linear trinuclear FeII complex","CrystEngComm","2011","13","16","5190","","10.1039/c1ce05275f","","","0.71073","MoKα","","0.1494","0.067","","","0.1414","0.1726","","","","","","1.025","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206287","15.056","0.002","16.698","0.002","16.718","0.002","103.588","0.002","109.528","0.002","111.43","0.002","3368.1","0.7","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C96.32 H109.28 N24 Ni3 O39.32 S6 -","- C96.32 H109.28 N24 Ni3 O39.32 S6 -","- C96.32 H109.28 N24 Ni3 O39.32 S6 -","1","0.5","","Savard, Didier; Cook, Cyril; Enright, Gary D.; Korobkov, Ilia; Burchell, Tara J.; Murugesu, Muralee","Gradual spin crossover behaviour in a linear trinuclear FeII complex","CrystEngComm","2011","13","16","5190","","10.1039/c1ce05275f","","","0.71073","MoKα","","0.1115","0.0782","","","0.2041","0.2361","","","","","","1.011","","","","has coordinates,has disorder","180393","2020-10-21","18:00:00",""
"7206288","11.385","0.005","11.484","0.005","32.225","0.005","95.42","0.005","98.059","0.005","96.035","0.005","4123","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C174 H158 N24 O37 Zn6 -","- C174 H140 N24 O37 Zn6 -","- C174 H140 N24 O37 Zn6 -","1","0.5","","Li, Shun-Li; Tan, Ke; Lan, Ya-Qian; Qin, Jun-Sheng; Li, Mei-Na; Du, Dong-Ying; Su, Zhong-Min","A novel 3-connected [3 + 3] topological net showing both rotaxane- and catenane-like motifs","CrystEngComm","2011","13","15","4945","","10.1039/c1ce05277b","","","0.71069","MoKα","","0.0989","0.0551","","","0.1311","0.1555","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206289","11.166","0.002","17.71","0.004","19.669","0.004","90","","97.07","0.03","90","","3860","1.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H29 Cd2 N3 O9 S -","- C32 H29 Cd2 N3 O9 S -","- C128 H116 Cd8 N12 O36 S4 -","4","1","","Wang, Jun-Jie; Hu, Tong-Liang; Bu, Xian-He","Cadmium(ii) and zinc(ii) metal‒organic frameworks with anthracene-based dicarboxylic ligands: solvothermal synthesis, crystal structures, and luminescent properties","CrystEngComm","2011","13","16","5152","","10.1039/c1ce05287j","","","0.71073","MoKα","","0.1191","0.0737","","","0.1171","0.1304","","","","","","1.108","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206290","9.4824","0.0019","9.584","0.0019","12.153","0.002","98.3","0.03","108.55","0.03","111.24","0.03","932.9","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H18 Cl N2 O2 Zn -","- C21 H18 Cl N2 O2 Zn -","- C42 H36 Cl2 N4 O4 Zn2 -","2","1","","Wang, Jun-Jie; Hu, Tong-Liang; Bu, Xian-He","Cadmium(ii) and zinc(ii) metal‒organic frameworks with anthracene-based dicarboxylic ligands: solvothermal synthesis, crystal structures, and luminescent properties","CrystEngComm","2011","13","16","5152","","10.1039/c1ce05287j","","","0.71073","MoKα","","0.1611","0.095","","","0.1963","0.2299","","","","","","1.091","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206291","7.2223","0.0014","8.2583","0.0017","11.575","0.002","104.61","0.03","101.05","0.03","99.64","0.03","638.5","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H12 Cd Cl2 N O2 -","- C10 H12 Cd Cl2 N O2 -","- C20 H24 Cd2 Cl4 N2 O4 -","2","1","","Wang, Jun-Jie; Hu, Tong-Liang; Bu, Xian-He","Cadmium(ii) and zinc(ii) metal‒organic frameworks with anthracene-based dicarboxylic ligands: solvothermal synthesis, crystal structures, and luminescent properties","CrystEngComm","2011","13","16","5152","","10.1039/c1ce05287j","","","0.71073","MoKα","","0.0447","0.0304","","","0.0539","0.0568","","","","","","1.123","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206292","19.008","0.004","12.186","0.002","22.35","0.005","90","","90","","90","","5177","1.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H22 Cd N2 O4 -","- C29 H22 Cd N2 O4 -","- C232 H176 Cd8 N16 O32 -","8","1","","Wang, Jun-Jie; Hu, Tong-Liang; Bu, Xian-He","Cadmium(ii) and zinc(ii) metal‒organic frameworks with anthracene-based dicarboxylic ligands: solvothermal synthesis, crystal structures, and luminescent properties","CrystEngComm","2011","13","16","5152","","10.1039/c1ce05287j","","","0.71073","MoKα","","0.1639","0.096","","","0.1276","0.1452","","","","","","1.184","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206293","18.327","0.004","11.613","0.002","22.078","0.004","90","","90","","90","","4698.9","1.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H22 N2 O4 Zn -","- C29 H22 N2 O4 Zn -","- C232 H176 N16 O32 Zn8 -","8","1","","Wang, Jun-Jie; Hu, Tong-Liang; Bu, Xian-He","Cadmium(ii) and zinc(ii) metal‒organic frameworks with anthracene-based dicarboxylic ligands: solvothermal synthesis, crystal structures, and luminescent properties","CrystEngComm","2011","13","16","5152","","10.1039/c1ce05287j","","","0.71073","MoKα","","0.1213","0.0719","","","0.1515","0.175","","","","","","1.074","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206294","9.959","0.003","11.667","0.003","6.3044","0.0011","90","","90","","90","","732.5","0.3","293","","293","","","","400000","","","","","3","I b a m","-I 2 2c","72","","","","- C3 H4 O2 -","- C3 H4 O2 -","- C24 H32 O16 -","8","0.5","","Oswald, Iain D. H.; Urquhart, Andrew J.","Polymorphism and polymerisation of acrylic and methacrylic acid at high pressure","CrystEngComm","2011","13","14","4503","","10.1039/c1ce05295k","","","0.71073","MoKα","","0.0761","0.0427","","0.1187","0.0931","0.1187","","","","","","1.0324","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206295","5.1352","0.001","9.802","0.003","6.85","0.004","90","","97.28","0.03","90","","342","0.2","293","","293","","","","650000","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C3 H4 O2 -","- C3 H4 O2 -","- C12 H16 O8 -","4","1","","Oswald, Iain D. H.; Urquhart, Andrew J.","Polymorphism and polymerisation of acrylic and methacrylic acid at high pressure","CrystEngComm","2011","13","14","4503","","10.1039/c1ce05295k","","","0.71073","MoKα","","0.0754","0.0409","","0.0888","0.0808","0.0888","","","","","","1.0481","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206296","3.8056","0.0003","10.4842","0.0008","11.6286","0.001","90","","91.468","0.004","90","","463.81","0.06","123","","123","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C4 H6 O2 -","- C4 H6 O2 -","- C16 H24 O8 -","4","1","","Oswald, Iain D. H.; Urquhart, Andrew J.","Polymorphism and polymerisation of acrylic and methacrylic acid at high pressure","CrystEngComm","2011","13","14","4503","","10.1039/c1ce05295k","","","0.71073","MoKα","","0.0399","0.0318","","0.087","0.0841","0.087","","","","","","0.9771","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206297","3.8808","0.0011","10.616","0.006","11.718","0.004","90","","91.24","0.02","90","","482.7","0.3","293","","293","","","","300000","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C4 H6 O2 -","- C4 H6 O2 -","- C16 H24 O8 -","4","1","","Oswald, Iain D. H.; Urquhart, Andrew J.","Polymorphism and polymerisation of acrylic and methacrylic acid at high pressure","CrystEngComm","2011","13","14","4503","","10.1039/c1ce05295k","","","0.71073","MoKα","","0.1155","0.059","","0.1354","0.1143","0.1354","","","","","","1.0836","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206298","3.7643","0.0013","13.501","0.006","8.308","0.005","90","","101.22","0.03","90","","414.2","0.3","293","","293","","","","1500000","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C4 H6 O2 -","- C4 H6 O2 -","- C16 H24 O8 -","4","1","","Oswald, Iain D. H.; Urquhart, Andrew J.","Polymorphism and polymerisation of acrylic and methacrylic acid at high pressure","CrystEngComm","2011","13","14","4503","","10.1039/c1ce05295k","","","0.71073","MoKα","","0.0854","0.0456","","0.1118","0.0978","0.1118","","","","","","1.0658","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206299","16.793","0.003","21.363","0.004","10.187","0.002","90","","106.379","0.003","90","","3506.3","1.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H36 N6 O7 Zn -","- C30 H30 N6 O7 Zn -","- C120 H120 N24 O28 Zn4 -","4","1","","Ren, Chen; Zhang, Ya-Nan; Shi, Wen-Juan; Liu, Bo; Wang, Yao-Yu; Shi, Qi-Zhen","Structural diversity of coordination polymers assembled from adamantane dicarboxylates and conformational bis-triazole ligand","CrystEngComm","2011","13","16","5179","","10.1039/c1ce05299c","","","0.71073","MoKα","","0.1181","0.0778","","","0.242","0.2824","","","","","","1.041","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206300","18.042","0.002","19.55","0.002","17.324","0.002","90","","116.211","0.002","90","","5482.2","1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H62 Co2 N12 O9 -","- C60 H60 Co2 N12 O9 -","- C240 H240 Co8 N48 O36 -","4","0.5","","Ren, Chen; Zhang, Ya-Nan; Shi, Wen-Juan; Liu, Bo; Wang, Yao-Yu; Shi, Qi-Zhen","Structural diversity of coordination polymers assembled from adamantane dicarboxylates and conformational bis-triazole ligand","CrystEngComm","2011","13","16","5179","","10.1039/c1ce05299c","","","0.71073","MoKα","","0.0887","0.0519","","","0.1264","0.1496","","","","","","1.078","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206301","10.2524","0.0013","10.5382","0.0013","16.458","0.002","72.288","0.002","84.972","0.002","61.58","0.002","1486.3","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H34 Cd N6 O6 -","- C30 H34 Cd N6 O6 -","- C60 H68 Cd2 N12 O12 -","2","1","","Ren, Chen; Zhang, Ya-Nan; Shi, Wen-Juan; Liu, Bo; Wang, Yao-Yu; Shi, Qi-Zhen","Structural diversity of coordination polymers assembled from adamantane dicarboxylates and conformational bis-triazole ligand","CrystEngComm","2011","13","16","5179","","10.1039/c1ce05299c","","","0.71073","MoKα","","0.0733","0.0538","","","0.1305","0.1459","","","","","","1.096","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206302","34.981","0.005","8.4913","0.0013","18.479","0.003","90","","121.777","0.002","90","","4666.1","1.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H28 N3 O5 Zn -","- C23 H26 N3 O5 Zn -","- C184 H208 N24 O40 Zn8 -","8","1","","Ren, Chen; Zhang, Ya-Nan; Shi, Wen-Juan; Liu, Bo; Wang, Yao-Yu; Shi, Qi-Zhen","Structural diversity of coordination polymers assembled from adamantane dicarboxylates and conformational bis-triazole ligand","CrystEngComm","2011","13","16","5179","","10.1039/c1ce05299c","","","0.71073","MoKα","","0.0749","0.056","","","0.1672","0.1909","","","","","","1.04","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206303","9.1247","0.0019","12.1808","0.0019","13.519","0.004","82.922","0.003","88.411","0.002","84.781","0.002","1484.7","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H70 Co2 N12 O9 -","- C64 H70 Co2 N12 O9 -","- C64 H70 Co2 N12 O9 -","1","0.5","","Ren, Chen; Zhang, Ya-Nan; Shi, Wen-Juan; Liu, Bo; Wang, Yao-Yu; Shi, Qi-Zhen","Structural diversity of coordination polymers assembled from adamantane dicarboxylates and conformational bis-triazole ligand","CrystEngComm","2011","13","16","5179","","10.1039/c1ce05299c","","","0.71073","MoKα","","0.0469","0.0383","","","0.0983","0.1052","","","","","","1.028","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206304","9.0628","0.001","12.4562","0.0014","27.207","0.003","83.786","0.001","85.363","0.002","82.622","0.002","3021","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H68 Cd2 N12 O8 -","- C64 H68 Cd2 N12 O8 -","- C128 H136 Cd4 N24 O16 -","2","1","","Ren, Chen; Zhang, Ya-Nan; Shi, Wen-Juan; Liu, Bo; Wang, Yao-Yu; Shi, Qi-Zhen","Structural diversity of coordination polymers assembled from adamantane dicarboxylates and conformational bis-triazole ligand","CrystEngComm","2011","13","16","5179","","10.1039/c1ce05299c","","","0.71073","MoKα","","0.086","0.0459","","","0.0954","0.134","","","","","","0.998","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206305","8.002","0.0003","15.734","0.0005","14.337","0.0006","90","","102.76","0.04","90","","1760.5","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Diethyl N,N'-[1,3-(2,4,6-trimethyl)phenylene]dioxamalate","","- C17 H22 N2 O6 -","- C17 H22 N2 O6 -","- C68 H88 N8 O24 -","4","1","","González-González, Juan Saulo; Martínez-Martínez, Francisco Javier; Peraza Campos, Ana Lilia; de Jesus Rosales-Hoz, Maria; García-Báez, Efrén V.; Padilla-Martínez, Itzia I.","Supramolecular architectures of conformationally controlled 1,3-phenyl-dioxalamic molecular clefts through hydrogen bonding and steric restraints","CrystEngComm","2011","13","14","4748","","10.1039/c1ce05302g","","","0.71073","MoKα","","0.1077","0.0743","","","0.2083","0.2647","","","","","","1.066","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206306","9.964","0.0003","10.218","0.0003","10.579","0.0004","80.969","0.002","87.691","0.002","87.649","0.001","1062.2","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Diethyl N,N'-(1,3-(5-tert-buthyl-2- methoxy)phenylene)dioxamalate","Diethyl N,N'-(1,3-(5-tert-buthyl-2- methoxy)phenylene)dioxamalate","","- C19 H26 N2 O7 -","- C19 H26 N2 O7 -","- C38 H52 N4 O14 -","2","1","","González-González, Juan Saulo; Martínez-Martínez, Francisco Javier; Peraza Campos, Ana Lilia; de Jesus Rosales-Hoz, Maria; García-Báez, Efrén V.; Padilla-Martínez, Itzia I.","Supramolecular architectures of conformationally controlled 1,3-phenyl-dioxalamic molecular clefts through hydrogen bonding and steric restraints","CrystEngComm","2011","13","14","4748","","10.1039/c1ce05302g","","","0.71073","MoKα","","0.1121","0.0815","","","0.2147","0.2484","","","","","","1.157","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206307","8.2302","0.0012","23.218","0.003","8.1795","0.0012","90","","94.665","0.002","90","","1557.8","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Diethyl N,N'-[1,3-(2-methyl)phenylene]dioxamalate","","- C15 H18 N2 O6 -","- C15 H18 N2 O6 -","- C60 H72 N8 O24 -","4","1","","González-González, Juan Saulo; Martínez-Martínez, Francisco Javier; Peraza Campos, Ana Lilia; de Jesus Rosales-Hoz, Maria; García-Báez, Efrén V.; Padilla-Martínez, Itzia I.","Supramolecular architectures of conformationally controlled 1,3-phenyl-dioxalamic molecular clefts through hydrogen bonding and steric restraints","CrystEngComm","2011","13","14","4748","","10.1039/c1ce05302g","","","0.71073","MoKα","","0.0578","0.0537","","","0.123","0.1254","","","","","","1.162","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206308","8.0352","0.0007","16.0173","0.0014","14.398","0.0014","90","","102.681","0.002","90","","1807.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Diethyl N,N'-[1,3-(2,4,6-trimethyl)phenylene]dioxamalate","","- C17 H22 N2 O6 -","- C17 H22 N2 O6 -","- C68 H88 N8 O24 -","4","1","","González-González, Juan Saulo; Martínez-Martínez, Francisco Javier; Peraza Campos, Ana Lilia; de Jesus Rosales-Hoz, Maria; García-Báez, Efrén V.; Padilla-Martínez, Itzia I.","Supramolecular architectures of conformationally controlled 1,3-phenyl-dioxalamic molecular clefts through hydrogen bonding and steric restraints","CrystEngComm","2011","13","14","4748","","10.1039/c1ce05302g","","","0.71073","MoKα","","0.0883","0.0519","","","0.1001","0.1028","","","","","","1.052","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206309","9.008","0.0018","9.551","0.0019","10.593","0.0019","94.8","0.02","99.01","0.03","109.34","0.03","840.3","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","N,N'-Bis(2-(2-hydroxyethylamino)oxalyl)-1,3-(2-methyl) phenylenediamine","N,N'-Bis[2-(2-hydroxyethylamino)oxalyl]-1,3-(2-methyl) phenylenediamine","","- C15 H20 N4 O6 -","- C14.998 H19.995 N4 O5.999 -","- C29.996 H39.99 N8 O11.998 -","2","1","","González-González, Juan Saulo; Martínez-Martínez, Francisco Javier; Peraza Campos, Ana Lilia; de Jesus Rosales-Hoz, Maria; García-Báez, Efrén V.; Padilla-Martínez, Itzia I.","Supramolecular architectures of conformationally controlled 1,3-phenyl-dioxalamic molecular clefts through hydrogen bonding and steric restraints","CrystEngComm","2011","13","14","4748","","10.1039/c1ce05302g","","","0.71073","MoKα","","0.1192","0.0804","","","0.2297","0.2432","","","","","","0.959","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206310","11.4567","0.0006","12.905","0.0007","16.4558","0.001","90","","101.828","0.002","90","","2381.3","0.2","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N,N'-Bis-[2-(2-(2-hydroxyethoxy)ethylamino) oxalyl]-1,3-(2,4,6-trimethyl)phenylenediamine","","- C21 H32 N4 O8 -","- C21 H32 N4 O8 -","- C84 H128 N16 O32 -","4","0.5","","González-González, Juan Saulo; Martínez-Martínez, Francisco Javier; Peraza Campos, Ana Lilia; de Jesus Rosales-Hoz, Maria; García-Báez, Efrén V.; Padilla-Martínez, Itzia I.","Supramolecular architectures of conformationally controlled 1,3-phenyl-dioxalamic molecular clefts through hydrogen bonding and steric restraints","CrystEngComm","2011","13","14","4748","","10.1039/c1ce05302g","","","0.71073","MoKα","","0.1085","0.0677","","","0.1568","0.1703","","","","","","0.816","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206311","13.066","0.003","24.384","0.005","13.303","0.003","90","","90","0.03","90","","4238.4","1.6","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N,N-Bis[(2-(2-hydroxyethylamino)oxalyl)]-1,3- (5-tertbuthyl-2-methoxy)phenylenediamine","","- C19 H28 N4 O7 -","- C19 H28 N4 O7 -","- C152 H224 N32 O56 -","8","1","","González-González, Juan Saulo; Martínez-Martínez, Francisco Javier; Peraza Campos, Ana Lilia; de Jesus Rosales-Hoz, Maria; García-Báez, Efrén V.; Padilla-Martínez, Itzia I.","Supramolecular architectures of conformationally controlled 1,3-phenyl-dioxalamic molecular clefts through hydrogen bonding and steric restraints","CrystEngComm","2011","13","14","4748","","10.1039/c1ce05302g","","","0.71073","MoKα","","0.1021","0.0551","","","0.1371","0.1858","","","","","","1.121","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206312","10.093","0.003","20.139","0.005","9.676","0.002","90","","102.269","0.003","90","","1921.9","0.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 Br Co N4 O4 -","- C17 H15 Br Co N4 O4 -","- C68 H60 Br4 Co4 N16 O16 -","4","1","","Ma, Lu-Fang; Li, Xiu-Qin; Wang, Li-Ya; Hou, Hong-Wei","Syntheses and characterization of nickel(ii) and cobalt(ii) coordination polymers based on 5-bromoisophthalate anion and bis(imidazole) ligands","CrystEngComm","2011","13","14","4625","","10.1039/c1ce05308f","","","0.71073","MoKα","","0.0766","0.0416","","","0.0938","0.1133","","","","","","1.043","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206313","18.519","0.008","13.366","0.006","7.971","0.004","90","","113.072","0.005","90","","1815.2","1.5","296","2","296","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C17 H15 Br Co N4 O4 -","- C17 H15 Br Co N4 O4 -","- C68 H60 Br4 Co4 N16 O16 -","4","1","","Ma, Lu-Fang; Li, Xiu-Qin; Wang, Li-Ya; Hou, Hong-Wei","Syntheses and characterization of nickel(ii) and cobalt(ii) coordination polymers based on 5-bromoisophthalate anion and bis(imidazole) ligands","CrystEngComm","2011","13","14","4625","","10.1039/c1ce05308f","","","0.71073","MoKα","","0.0679","0.0634","","","0.1649","0.1694","","","","","","1.064","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206314","9.7514","0.0013","10.143","0.0014","11.2886","0.0016","108.396","0.001","106.263","0.001","102.921","0.001","955.6","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H17 Br N4 Ni O5 -","- C17 H17 Br N4 Ni O5 -","- C34 H34 Br2 N8 Ni2 O10 -","2","1","","Ma, Lu-Fang; Li, Xiu-Qin; Wang, Li-Ya; Hou, Hong-Wei","Syntheses and characterization of nickel(ii) and cobalt(ii) coordination polymers based on 5-bromoisophthalate anion and bis(imidazole) ligands","CrystEngComm","2011","13","14","4625","","10.1039/c1ce05308f","","","0.71073","MoKα","","0.0374","0.0279","","","0.0603","0.065","","","","","","1.025","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206315","10.1385","0.001","17.0608","0.0017","21.875","0.002","90","","90","","90","","3783.7","0.6","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H17 Br N4 Ni O4 -","- C18 H17 Br N4 Ni O4 -","- C144 H136 Br8 N32 Ni8 O32 -","8","1","","Ma, Lu-Fang; Li, Xiu-Qin; Wang, Li-Ya; Hou, Hong-Wei","Syntheses and characterization of nickel(ii) and cobalt(ii) coordination polymers based on 5-bromoisophthalate anion and bis(imidazole) ligands","CrystEngComm","2011","13","14","4625","","10.1039/c1ce05308f","","","0.71073","MoKα","","0.0588","0.0348","","","0.0671","0.0771","","","","","","1.031","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206316","10.07","0.002","10.547","0.002","10.69","0.002","71.61","0.03","68.23","0.03","62.68","0.03","922.1","0.4","100","3","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H12 Fe N3 O6 S4 -","- C14 H12 Fe N3 O6 S4 -","- C28 H24 Fe2 N6 O12 S8 -","2","1","","Kara, Hulya; Adams, Christopher J.; Schwarz, Björn; Orpen, A. Guy","The use of [Fe(dithiooxalate)2(NO)]2− as a tecton in crystal engineering","CrystEngComm","2011","13","16","5082","","10.1039/c1ce05309d","","","0.71073","MoKα","","0.0335","0.028","","","0.0674","0.0701","","","","","","0.991","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206317","13.464","0.003","12.053","0.002","14.304","0.003","90","","95.68","0.03","90","","2309.9","0.8","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C14 H20 Fe N5 O7 S4 -","- C14 H20 Fe N5 O7 S4 -","- C56 H80 Fe4 N20 O28 S16 -","4","1","","Kara, Hulya; Adams, Christopher J.; Schwarz, Björn; Orpen, A. Guy","The use of [Fe(dithiooxalate)2(NO)]2− as a tecton in crystal engineering","CrystEngComm","2011","13","16","5082","","10.1039/c1ce05309d","","","0.71073","MoKα","","0.0324","0.0299","","","0.0741","0.0755","","","","","","1.075","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206318","16.093","0.003","13.984","0.003","16.47","0.003","90","","90","","90","","3706.5","1.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H10 Fe N3 O5 S4 -","- C14 H10 Fe N3 O5 S4 -","- C112 H80 Fe8 N24 O40 S32 -","8","1","","Kara, Hulya; Adams, Christopher J.; Schwarz, Björn; Orpen, A. Guy","The use of [Fe(dithiooxalate)2(NO)]2− as a tecton in crystal engineering","CrystEngComm","2011","13","16","5082","","10.1039/c1ce05309d","","","0.71073","MoKα","","0.0345","0.028","","","0.0661","0.0695","","","","","","1.041","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206319","8.4799","0.0014","15.706","0.003","5.75","0.001","90","","90","","90","","765.8","0.2","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C3 H4 Br N3 O3 Pb -","- C3 H4 Br N3 O3 Pb -","- C12 H16 Br4 N12 O12 Pb4 -","4","1","","Safarifard, Vahid; Morsali, Ali","Reversible crystal-to-crystal transformation of a 3D‒3D coordination polymer by solid state anion-replacement with no change in nano-particle morphology","CrystEngComm","2011","13","15","4817","","10.1039/c1ce05311f","","","0.71073","MoKα","","0.026","0.0237","","","0.0528","0.0534","","","","","","1.021","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206320","30.125","0.011","9.449","0.003","12.692","0.005","90","","90","","90","","3613","2","296","2","296","2","","","","","","","","6","I b a 2","I 2 -2c","45","","","","- C8 H26 Eu N6 S3 Sb -","- C8 H26 Eu N6 S3 Sb -","- C64 H208 Eu8 N48 S24 Sb8 -","8","1","","Zhou, Jian; Yin, Xian-Hong; Zhang, Feng","Solvothermal synthesis and characterization of two novel europium thioantimonates(iii) containing [SbIIIS3] unit as an unusual chelating ligand","CrystEngComm","2011","13","15","4806","","10.1039/c1ce05314k","","","0.71073","MoKα","","0.0344","0.0313","","","0.0788","0.0812","","","","","","1.023","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206321","27.566","0.007","8.4157","0.0017","18.003","0.007","90","","116.71","0.03","90","","3731","2","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H52 Cl2 Eu2 N12 S5 Sb2 -","- C16 H52 Cl2 Eu2 N12 S5 Sb2 -","- C64 H208 Cl8 Eu8 N48 S20 Sb8 -","4","0.5","","Zhou, Jian; Yin, Xian-Hong; Zhang, Feng","Solvothermal synthesis and characterization of two novel europium thioantimonates(iii) containing [SbIIIS3] unit as an unusual chelating ligand","CrystEngComm","2011","13","15","4806","","10.1039/c1ce05314k","","","0.71073","MoKα","","0.065","0.0445","","","0.0796","0.0828","","","","","","0.93","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206322","8.6551","0.0002","12.9917","0.0004","19.0093","0.0004","109.596","0.002","96.091","0.002","90.55","0.002","1999.99","0.09","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H16 F4 I2 N O -","- C18 H16 F4 I2 N O -","- C72 H64 F16 I8 N4 O4 -","4","2","","Davy, Karl J. P.; McMurtrie, John; Rintoul, Llew; Bernhardt, Paul V.; Micallef, Aaron S.","Vapour phase assembly of a halogen bonded complex of an isoindoline nitroxide and 1,2-diiodotetrafluorobenzene","CrystEngComm","2011","13","16","5062","","10.1039/c1ce05344b","","","0.71073","MoKα","","0.0709","0.0342","","","0.0392","0.041","","","","","","0.945","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206323","14.9609","0.0009","26.488","0.0016","15.382","0.0009","90","","109.998","0.001","90","","5728.1","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H58.5 Cd3 N10 O19.25 -","- C56 H54 Cd3 N10 O19.25 -","- C224 H216 Cd12 N40 O77 -","4","0.5","","He, Jianghong; Chen, Haiyan; Xiao, Dongrong; Sun, Dianzhen; Zhang, Guangju; Yan, Shiwei; Xin, Guanghua; Yuan, Ruo; Wang, Enbo","An unprecedented 3-fold interpenetrated double-edged pseudo-diamondoid network containing exceptional 5-fold interlocking tri-flexure helices and 15-fold interwoven helices","CrystEngComm","2011","13","15","4841","","10.1039/c1ce05349c","","","0.71073","MoKα","","0.0292","0.0249","","","0.0858","0.0903","","","","","","1.02","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206324","29.536","0.002","29.536","0.002","41.76","0.006","90","","90","","120","","31550","5","100","2","100","2","","","","","","","","5","P 31 1 2","P 31 2 (0 0 4)","151","","","","- C120 H108 N4 O40 Zn8 -","- C120 H76 N4 O38.445 Zn8 -","- C720 H456 N24 O230.67 Zn48 -","6","1","","Han, Shuangbing; Ma, Zhenbo; Wei, Yanhu; Kravtsov, Victor Ch.; Luisi, Brian S.; Kulaots, Indrek; Moulton, Brian","A single-crystalline microporous coordination polymer with mixed parallel and diagonal interpenetrating α-Po networks","CrystEngComm","2011","13","15","4838","","10.1039/c1ce05354j","","","0.71073","MoKα","","0.1092","0.0788","","","0.2074","0.2165","","","","","","1.008","","","","has coordinates,has disorder","180394","2020-10-21","18:00:00",""
"7206325","13.175","0.004","13.175","0.004","13.175","0.004","104","","104","","104","","2040.5","1.1","296","2","296","2","","","","","","","","7","R -3 :R","-P 3*","148","","","","- C12 H66 As2 N12 O72 W18 Zn6 -","- C12 H54 As2 N12 O72 W18 Zn6 -","- C12 H54 As2 N12 O72 W18 Zn6 -","1","0.166667","","Niu, Jing-Yang; Ma, Xiang; Zhao, Jun-Wei; Ma, Peng-Tao; Zhang, Chao; Wang, Jing-Ping","A novel organic‒inorganic hybrid turbine-shaped hexa-Zn sandwiched tungstoarsenate(iii)","CrystEngComm","2011","13","15","4834","","10.1039/c1ce05358b","","","0.71073","MoKα","","0.0557","0.0405","","","0.0997","0.1069","","","","","","1.072","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206326","10.5015","0.0003","19.8003","0.0004","21.249","0.0005","90","","103.696","0.002","90","","4292.73","0.18","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H28 Cd2 N8 O8 -","- C46 H28 Cd2 N8 O8 -","- C184 H112 Cd8 N32 O32 -","4","1","","Wang, Wen-Yue; Yang, Ze-Li; Wang, Cheng-Jie; Lu, Hui-Jie; Zang, Shuang-Quan; Li, Gang","2-Phenyl-4,5-imidazole dicarboxylate-based metal‒organic frameworks assembled under hydro(solvo)thermal conditions","CrystEngComm","2011","13","15","4895","","10.1039/c1ce05394a","","","0.71073","MoKα","","0.063","0.0452","","","0.1188","0.1258","","","","","","1.026","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206327","9.3505","0.0004","20.6898","0.0009","20.1672","0.0009","90","","101.284","0.002","90","","3826.1","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H28 Cd2 N8 O8 -","- C42 H28 Cd2 N8 O8 -","- C168 H112 Cd8 N32 O32 -","4","1","","Wang, Wen-Yue; Yang, Ze-Li; Wang, Cheng-Jie; Lu, Hui-Jie; Zang, Shuang-Quan; Li, Gang","2-Phenyl-4,5-imidazole dicarboxylate-based metal‒organic frameworks assembled under hydro(solvo)thermal conditions","CrystEngComm","2011","13","15","4895","","10.1039/c1ce05394a","","","0.71073","MoKα","","0.0419","0.0313","","","0.0775","0.0849","","","","","","1.044","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206328","20.0411","0.0003","8.3805","0.0001","13.2718","0.0002","90","","93.905","0.001","90","","2223.88","0.05","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H12 N4 O9 Pb3 -","- C22 H12 N4 O9 Pb3 -","- C88 H48 N16 O36 Pb12 -","4","1","","Wang, Wen-Yue; Yang, Ze-Li; Wang, Cheng-Jie; Lu, Hui-Jie; Zang, Shuang-Quan; Li, Gang","2-Phenyl-4,5-imidazole dicarboxylate-based metal‒organic frameworks assembled under hydro(solvo)thermal conditions","CrystEngComm","2011","13","15","4895","","10.1039/c1ce05394a","","","0.71073","MoKα","","0.0603","0.0544","","","0.1827","0.1905","","","","","","1.073","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206329","27.28","0.003","31.413","0.004","6.6156","0.0008","90","","90","","90","","5669.2","1.2","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C22 H26 N4 O14 Sr -","- C22 H26 N4 O14 Sr -","- C176 H208 N32 O112 Sr8 -","8","0.5","","Wang, Wen-Yue; Yang, Ze-Li; Wang, Cheng-Jie; Lu, Hui-Jie; Zang, Shuang-Quan; Li, Gang","2-Phenyl-4,5-imidazole dicarboxylate-based metal‒organic frameworks assembled under hydro(solvo)thermal conditions","CrystEngComm","2011","13","15","4895","","10.1039/c1ce05394a","","","0.71073","MoKα","","0.0312","0.0243","","","0.0539","0.0559","","","","","","1.007","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206330","11.9677","0.0011","12.2012","0.0011","14.7386","0.0013","67.613","0.001","74.527","0.001","63.724","0.001","1771.8","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H72 Mn3 Mo12 N8 O69 P8 -","- C12 H44 Mn3 Mo12 N8 O69 P8 -","- C12 H44 Mn3 Mo12 N8 O69 P8 -","1","0.5","","Yan, Dawei; Fu, Jie; Zheng, Lei; Zhang, Zhibin; Xu, Yan; Zhu, Xiaolei; Zhu, Dunru","Effects of organoamine template and transition metal coordination mode on the self-assembly of reduced polyoxomolybdenum phosphate","CrystEngComm","2011","13","16","5133","","10.1039/c1ce05417a","","","0.71073","MoKα","","0.036","0.0316","","","0.0925","0.1037","","","","","","1.117","","","","has coordinates,has disorder","180394","2020-10-21","18:00:00",""
"7206331","11.7581","0.0013","13.0974","0.0014","14.6365","0.0016","106.167","0.001","108.385","0.001","107.433","0.001","1859.6","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H74 Mn3 Mo12 N8 O66 P8 -","- C16 H52 Mn3 Mo12 N8 O66 P8 -","- C16 H52 Mn3 Mo12 N8 O66 P8 -","1","0.5","","Yan, Dawei; Fu, Jie; Zheng, Lei; Zhang, Zhibin; Xu, Yan; Zhu, Xiaolei; Zhu, Dunru","Effects of organoamine template and transition metal coordination mode on the self-assembly of reduced polyoxomolybdenum phosphate","CrystEngComm","2011","13","16","5133","","10.1039/c1ce05417a","","","0.71073","MoKα","","0.0283","0.0263","","","0.0837","0.0858","","","","","","1.102","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206332","13.2131","0.0008","22.1308","0.0013","13.6152","0.0008","90","","103.464","0.001","90","","3871.9","0.4","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H90 Mn Mo12 N12 O70 P8 -","- C16 H90 Mn Mo12 N12 O70 P8 -","- C32 H180 Mn2 Mo24 N24 O140 P16 -","2","0.5","","Yan, Dawei; Fu, Jie; Zheng, Lei; Zhang, Zhibin; Xu, Yan; Zhu, Xiaolei; Zhu, Dunru","Effects of organoamine template and transition metal coordination mode on the self-assembly of reduced polyoxomolybdenum phosphate","CrystEngComm","2011","13","16","5133","","10.1039/c1ce05417a","","","0.71073","MoKα","","0.0306","0.0248","","","0.0634","0.0658","","","","","","1.032","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206333","32.322","0.002","12.1782","0.0009","22.691","0.0017","90","","128.238","0.001","90","","7015.4","0.9","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C10 H68 Cu2 Mo12 N10 O65 P8 -","- C10 H50 Cu2 Mo12 N10 O65 P8 -","- C40 H200 Cu8 Mo48 N40 O260 P32 -","4","0.5","","Yan, Dawei; Fu, Jie; Zheng, Lei; Zhang, Zhibin; Xu, Yan; Zhu, Xiaolei; Zhu, Dunru","Effects of organoamine template and transition metal coordination mode on the self-assembly of reduced polyoxomolybdenum phosphate","CrystEngComm","2011","13","16","5133","","10.1039/c1ce05417a","","","0.71073","MoKα","","0.0334","0.0275","","","0.0819","0.0906","","","","","","1.086","","","","has coordinates,has disorder","180394","2020-10-21","18:00:00",""
"7206334","14.347","0.0018","14.347","0.0018","20.408","0.002","90","","90","","120","","3637.9","0.7","298","2","298","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C48 H60 N12 O35 Zn11 -","- C48 H60 N12 O35 Zn11 -","- C96 H120 N24 O70 Zn22 -","2","0.166667","","Zeng, Rong-Rong; Zhai, Quan-Guo; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","An unusual (3,6)-connected microporous metal‒organic framework based on tetrahedral Zn4 clusters with selective adsorption of CO2","CrystEngComm","2011","13","15","4823","","10.1039/c1ce05429e","","","0.71073","MoKα","","0.1019","0.0662","","","0.1703","0.192","","","","","","1.048","","","","has coordinates,has disorder","180394","2020-10-21","18:00:00",""
"7206335","17.8722","0.0008","17.8722","0.0008","14.3521","0.0013","90","","90","","90","","4584.3","0.5","293","2","293","2","","","","","","","","6","P 42/m n m","-P 4n 2n","136","","","","- C24 H22 Cd8 F3 N35 S2 -","- C24 H22 Cd8 F3 N35 S2 -","- C96 H88 Cd32 F12 N140 S8 -","4","0.25","","Zhai, Quan-Guo; Niu, Jing-Ping; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng; Batten, Stuart R.","An unusual uninodal 10-connected self-penetrating network built from sixteen-nuclear hybrid cadmium clusters","CrystEngComm","2011","13","14","4508","","10.1039/c1ce05462g","","","0.71073","MoKα","","0.0628","0.0415","","","0.0881","0.0986","","","","","","1.068","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7206336","9.0589","0.0003","6.197","0.0002","8.6426","0.0003","90","","105.932","0.003","90","","466.54","0.03","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C6 Br4 O2 -","- C6 Br4 O2 -","- C12 Br8 O4 -","2","0.5","","Molčanov, Krešimir; Kojić-Prodić, Biserka; Babić, Darko; Žilić, Dijana; Rakvin, Boris","Stabilisation of tetrabromo- and tetrachlorosemiquinone (bromanil and chloranil) anion radicals in crystals","CrystEngComm","2011","13","16","5170","","10.1039/c1ce05513e","","x-ray","1.54179","CuKα","","","0.0353","","","","0.0949","","","","","","1.09","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206337","7.594","0.0002","10.6229","0.0004","16.928","0.0005","91.426","0.003","91.085","0.003","100.728","0.003","1340.92","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H6 Br4 K O3 -","- C9 H6 Br4 K O3 -","- C36 H24 Br16 K4 O12 -","4","2","","Molčanov, Krešimir; Kojić-Prodić, Biserka; Babić, Darko; Žilić, Dijana; Rakvin, Boris","Stabilisation of tetrabromo- and tetrachlorosemiquinone (bromanil and chloranil) anion radicals in crystals","CrystEngComm","2011","13","16","5170","","10.1039/c1ce05513e","","","1.54179","CuKα","","","0.0787","","","","0.233","","","","","","1.096","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206338","10.4655","0.0001","16.7229","0.0002","7.4574","0.0001","90","","102.892","0.001","90","","1272.25","0.03","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 Cl4 K O3 -","- C9 H6 Cl4 K O3 -","- C36 H24 Cl16 K4 O12 -","4","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka; Babić, Darko; Žilić, Dijana; Rakvin, Boris","Stabilisation of tetrabromo- and tetrachlorosemiquinone (bromanil and chloranil) anion radicals in crystals","CrystEngComm","2011","13","16","5170","","10.1039/c1ce05513e","","x-ray","1.54184","CuKα","","","0.0369","","","","0.0962","","","","","","1.04","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206339","8.1909","0.0003","3.6689","0.0003","15.5125","0.0006","90","","97.712","0.003","90","","461.96","0.05","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 Br4 Na O2 -","- C6 Br4 Na O2 -","- C12 Br8 Na2 O4 -","2","0.5","","Molčanov, Krešimir; Kojić-Prodić, Biserka; Babić, Darko; Žilić, Dijana; Rakvin, Boris","Stabilisation of tetrabromo- and tetrachlorosemiquinone (bromanil and chloranil) anion radicals in crystals","CrystEngComm","2011","13","16","5170","","10.1039/c1ce05513e","","x-ray","1.54179","CuKα","","","0.072","","","","0.2649","","","","","","1.092","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206340","4.3382","0.0001","13.864","0.0002","17.4665","0.0002","90","","90","","90","","1050.52","0.03","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 Br4 O2 Rb -","- C6 Br4 O2 Rb -","- C24 Br16 O8 Rb4 -","4","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka; Babić, Darko; Žilić, Dijana; Rakvin, Boris","Stabilisation of tetrabromo- and tetrachlorosemiquinone (bromanil and chloranil) anion radicals in crystals","CrystEngComm","2011","13","16","5170","","10.1039/c1ce05513e","","","1.54184","CuKα","","","0.045","","","","0.1241","","","","","","1.032","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206341","4.334","0.0001","13.5784","0.0003","17.4009","0.0003","90","","90","","90","","1024.02","0.04","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 Br4 O2 Rb -","- C6 Br4 O2 Rb -","- C24 Br16 O8 Rb4 -","4","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka; Babić, Darko; Žilić, Dijana; Rakvin, Boris","Stabilisation of tetrabromo- and tetrachlorosemiquinone (bromanil and chloranil) anion radicals in crystals","CrystEngComm","2011","13","16","5170","","10.1039/c1ce05513e","","x-ray","1.54179","CuKα","","","0.043","","","","0.1115","","","","","","1.104","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206342","10.4749","0.0001","16.96","0.0001","7.6663","0.0001","90","","103.267","0.001","90","","1325.6","0.02","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 Cl4 O3 Rb -","- C9 H6 Cl4 O3 Rb -","- C36 H24 Cl16 O12 Rb4 -","4","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka; Babić, Darko; Žilić, Dijana; Rakvin, Boris","Stabilisation of tetrabromo- and tetrachlorosemiquinone (bromanil and chloranil) anion radicals in crystals","CrystEngComm","2011","13","16","5170","","10.1039/c1ce05513e","","x-ray","1.54179","CuKα","","","0.0333","","","","0.0898","","","","","","1.074","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206357","18.2426","0.0005","18.2426","0.0005","8.5167","0.0003","90","","90","","90","","2834.29","0.15","293","2","293","2","","","","","","","Synthesized by the authors. See text","4","I 41/a :2","-I 4ad","88","","","","- C29 H24 N4 O12 -","- C29 H24 N4 O12 -","- C116 H96 N16 O48 -","4","0.25","","Dominic Laliberté; Thierry Maris; James D. Wuest","Molecular networks built from weakly interacting nitro-substituted pentaerythrityl tetraaryl ethers","CrystEngComm","2005","7","","158","160","10.1039/b500757g","","","1.54178","CuKα","","0.0684","0.0534","","","0.1279","0.1385","","","","","","1.071","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206358","12.114","0.0005","12.114","0.0005","8.9974","0.0005","90","","90","","90","","1320.36","0.11","223","2","223","2","","","","","","","Synthesized by the authors. See text","5","P -4","P -4","81","","","","- C59 H52 N4 O14 S2 -","- C59 H52 N4 O14 S2 -","- C59 H52 N4 O14 S2 -","1","0.25","","Dominic Laliberté; Thierry Maris; James D. Wuest","Molecular networks built from weakly interacting nitro-substituted pentaerythrityl tetraaryl ethers","CrystEngComm","2005","7","","158","160","10.1039/b500757g","","","1.54178","CuKα","","0.0841","0.059","","","0.1703","0.1884","","","","","","0.959","","","","has coordinates,has disorder","180394","2020-10-21","18:00:00",""
"7206359","8.6311","0.0005","8.7661","0.0005","10.5768","0.0007","66.499","0.003","79.521","0.003","62.868","0.002","653.12","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H15 N3 O5 -","- C13 H15 N3 O5 -","- C26 H30 N6 O10 -","2","1","","Ugono, Onome; Rath, Nigam P.; Beatty, Alicia M.","Exceptions to the rule: new hydrogen-bonded networks from an old reliable","CrystEngComm","2011","13","3","753","","10.1039/c0ce00621a","","","0.71073","MoKα","","0.053","0.0444","","","0.119","0.1258","","","","","","1.055","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206360","7.6474","0.0007","8.8813","0.0008","11.2042","0.0011","95.515","0.005","105.036","0.005","109.059","0.004","680.87","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H17 N3 O5 -","- C13 H17 N3 O5 -","- C26 H34 N6 O10 -","2","1","","Ugono, Onome; Rath, Nigam P.; Beatty, Alicia M.","Exceptions to the rule: new hydrogen-bonded networks from an old reliable","CrystEngComm","2011","13","3","753","","10.1039/c0ce00621a","","","0.71073","MoKα","","0.0658","0.0455","","","0.1157","0.1274","","","","","","1.021","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206361","8.8953","0.0002","9.5137","0.0005","10.4456","0.0003","106.759","0.001","108.95","0.001","99.042","0.001","769.25","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H21 N3 O5 -","- C15 H21 N3 O5 -","- C30 H42 N6 O10 -","2","1","","Ugono, Onome; Rath, Nigam P.; Beatty, Alicia M.","Exceptions to the rule: new hydrogen-bonded networks from an old reliable","CrystEngComm","2011","13","3","753","","10.1039/c0ce00621a","","","0.71073","MoKα","","0.0368","0.0346","","","0.0978","0.0998","","","","","","1.047","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206362","6.8377","0.0003","8.6356","0.0004","13.3174","0.0007","90.211","0.002","104.461","0.002","109.951","0.002","712.33","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H17 N3 O4 -","- C14 H17 N3 O4 -","- C28 H34 N6 O8 -","2","1","","Ugono, Onome; Rath, Nigam P.; Beatty, Alicia M.","Exceptions to the rule: new hydrogen-bonded networks from an old reliable","CrystEngComm","2011","13","3","753","","10.1039/c0ce00621a","","","0.71073","MoKα","","0.0406","0.038","","","0.1068","0.109","","","","","","1.04","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206363","7.0986","0.0002","7.1127","0.0002","10.466","0.0002","98.291","0.001","92.733","0.001","98.19","0.001","516.32","0.02","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H26 N6 O10 -","- C18 H26 N6 O10 -","- C18 H26 N6 O10 -","1","0.5","","Ugono, Onome; Rath, Nigam P.; Beatty, Alicia M.","Exceptions to the rule: new hydrogen-bonded networks from an old reliable","CrystEngComm","2011","13","3","753","","10.1039/c0ce00621a","","","0.71073","MoKα","","0.033","0.032","","","0.0902","0.0911","","","","","","1.031","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206364","16.7326","0.0006","13.6932","0.0006","8.1323","0.0004","90","","92.992","0.002","90","","1860.76","0.14","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H24 N6 O8 -","- C16 H24 N6 O8 -","- C64 H96 N24 O32 -","4","0.5","","Ugono, Onome; Rath, Nigam P.; Beatty, Alicia M.","Exceptions to the rule: new hydrogen-bonded networks from an old reliable","CrystEngComm","2011","13","3","753","","10.1039/c0ce00621a","","","0.71073","MoKα","","0.0578","0.0384","","","0.085","0.0933","","","","","","1.026","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206365","4.5537","0.0006","9.3845","0.0011","11.1398","0.0014","79.342","0.004","85.338","0.005","85.904","0.004","465.52","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H24 N6 O8 -","- C16 H24 N6 O8 -","- C16 H24 N6 O8 -","1","0.5","","Ugono, Onome; Rath, Nigam P.; Beatty, Alicia M.","Exceptions to the rule: new hydrogen-bonded networks from an old reliable","CrystEngComm","2011","13","3","753","","10.1039/c0ce00621a","","","0.71073","MoKα","","0.0446","0.0364","","","0.0935","0.098","","","","","","1.061","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206366","22.979","0.01","10.157","0.004","15.902","0.007","90","","118.944","0.004","90","","3248","2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H36 Br5 Cu3 N4 O4 -","- C22 H36 Br5 Cu3 N4 O4 -","- C88 H144 Br20 Cu12 N16 O16 -","4","0.5","","Biswas, Apurba; Saha, Rajat; Ghosh, Ashutosh","Two unusual mixed-valent trinuclear CuII2CuI complexes containing copper(i) tribromide dianion as bridging ligand: Identification of an unprecedented doubly hydrogen-bonded water dimer","CrystEngComm","2011","13","17","5342","","10.1039/c0ce00784f","","","0.71073","MoKα","","0.0973","0.0624","","","0.179","0.2024","","","","","","1.044","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206367","23.267","0.003","11.0415","0.0016","15.727","0.002","90","","122.907","0.002","90","","3392.1","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H46 Br3 Cu3 N4 O4 -","- C26 H46 Br3 Cu3 N4 O4 -","- C104 H184 Br12 Cu12 N16 O16 -","4","0.5","","Biswas, Apurba; Saha, Rajat; Ghosh, Ashutosh","Two unusual mixed-valent trinuclear CuII2CuI complexes containing copper(i) tribromide dianion as bridging ligand: Identification of an unprecedented doubly hydrogen-bonded water dimer","CrystEngComm","2011","13","17","5342","","10.1039/c0ce00784f","","","0.71073","MoKα","","0.1291","0.0712","","","0.2055","0.2423","","","","","","1.024","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206368","8.7502","0.0011","5.059","0.002","21.53","0.02","90","","96.37","0.03","90","","947.2","1","294","","294","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C4 H5 Li O2 -","- C4 H5 Li O2 -","- C32 H40 Li8 O16 -","8","1","","Shang, Wen; Hickey, Magali B.; Enkelmann, Volker; Snider, Barry B.; Foxman, Bruce M.","Chemo- and stereospecific solid-state dimerization of lithium trans-2-butenoate and lithium trans-2-butenoate formamide solvate","CrystEngComm","2011","13","13","4339","","10.1039/c0ce00810a","","","1.54178","CuKα","","0.0981","0.0552","","0.119","0.068","0.068","","","","","","1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206369","23.2503","0.0007","4.9968","0.0003","14.8231","0.0005","90","","120.128","0.0014","90","","1489.46","0.11","120","","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C5 H8 Li N O3 -","- C5 H8 Li N O3 -","- C40 H64 Li8 N8 O24 -","8","1","","Shang, Wen; Hickey, Magali B.; Enkelmann, Volker; Snider, Barry B.; Foxman, Bruce M.","Chemo- and stereospecific solid-state dimerization of lithium trans-2-butenoate and lithium trans-2-butenoate formamide solvate","CrystEngComm","2011","13","13","4339","","10.1039/c0ce00810a","","","0.71073","MoKα","","0.0498","0.0336","","0.0925","0.0864","0.0925","","","","","","0.9799","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206370","10.9611","0.0013","16.2605","0.0018","21.915","0.003","90","","90","","90","","3906","0.8","273","2","273","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C24 H60 Cl4 Co Cu2 N6 Ni2 O6 -","- C24 H60 Cl4 Co Cu2 N6 Ni2 O6 -","- C96 H240 Cl16 Co4 Cu8 N24 Ni8 O24 -","4","0.5","","Nesterov, Dmytro S.; Graiff, Claudia; Tiripicchio, Antonio; Pombeiro, Armando J. L.","Direct synthesis and crystal structure of a new pentanuclear heterotrimetallic Cu/Co/Ni complex with 2-(dimethylamino)ethanol. Discussion of possible “butterfly-like” molecular structure types","CrystEngComm","2011","13","17","5348","","10.1039/c1ce05049d","","","0.71073","MoKα","","0.0401","0.0276","","","0.077","0.0829","","","","","","0.948","","","","has coordinates,has disorder","180394","2020-10-21","18:00:00",""
"7206371","7.7391","0.0004","5.2338","0.0002","26.9102","0.0013","90","","90.321","0.005","90","","1089.98","0.09","294","2","294","1","","","","","","","","4","P 1 2/c 1","-P 2yc","13","NppM","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Mocilac, Pavle; Gallagher, John F.","Structural systematics and conformational analyses of a 3 ×3 isomer grid of nine N-(tolyl)pyridinecarboxamides and three chlorinated relatives","CrystEngComm","2011","13","17","5354","","10.1039/c1ce05169e","","","0.71073","MoKα","","0.0816","0.0512","","","0.1285","0.1405","","","","","","0.97","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206372","8.2919","0.0003","10.26","0.0003","13.5713","0.0004","90","","100.919","0.003","90","","1133.67","0.06","294","2","294","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","NpmM","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Mocilac, Pavle; Gallagher, John F.","Structural systematics and conformational analyses of a 3 ×3 isomer grid of nine N-(tolyl)pyridinecarboxamides and three chlorinated relatives","CrystEngComm","2011","13","17","5354","","10.1039/c1ce05169e","","","0.71073","MoKα","","0.0623","0.0342","","","0.0774","0.0827","","","","","","0.896","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206373","13.0101","0.0006","10.4826","0.0003","9.7957","0.0004","90","","122.729","0.006","90","","1123.84","0.11","294","2","294","1","","","","","","","","4","C 1 c 1","C -2yc","9","NpoM","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Mocilac, Pavle; Gallagher, John F.","Structural systematics and conformational analyses of a 3 ×3 isomer grid of nine N-(tolyl)pyridinecarboxamides and three chlorinated relatives","CrystEngComm","2011","13","17","5354","","10.1039/c1ce05169e","","","0.71073","MoKα","","0.036","0.03","","","0.0785","0.0805","","","","","","0.993","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206374","10.5017","0.0005","4.8807","0.0002","21.3459","0.0009","90","","100.868","0.004","90","","1074.47","0.08","294","2","294","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","NmpM","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Mocilac, Pavle; Gallagher, John F.","Structural systematics and conformational analyses of a 3 ×3 isomer grid of nine N-(tolyl)pyridinecarboxamides and three chlorinated relatives","CrystEngComm","2011","13","17","5354","","10.1039/c1ce05169e","","","0.71073","MoKα","","0.0993","0.0363","","","0.065","0.073","","","","","","0.766","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206375","9.3767","0.0004","9.9187","0.0003","12.3386","0.0004","86.958","0.003","86.98","0.003","71.41","0.003","1085.36","0.07","294","2","294","1","","","","","","","","4","P -1","-P 1","2","NmmM","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","2","","Mocilac, Pavle; Gallagher, John F.","Structural systematics and conformational analyses of a 3 ×3 isomer grid of nine N-(tolyl)pyridinecarboxamides and three chlorinated relatives","CrystEngComm","2011","13","17","5354","","10.1039/c1ce05169e","","","0.71073","MoKα","","0.0754","0.0565","","","0.1735","0.1789","","","","","","1.094","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206376","8.0664","0.0002","9.4009","0.0002","29.5324","0.0008","90","","90","","90","","2239.48","0.1","294","2","294","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","NmoM","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C104 H96 N16 O8 -","8","1","","Mocilac, Pavle; Gallagher, John F.","Structural systematics and conformational analyses of a 3 ×3 isomer grid of nine N-(tolyl)pyridinecarboxamides and three chlorinated relatives","CrystEngComm","2011","13","17","5354","","10.1039/c1ce05169e","","","0.71073","MoKα","","0.066","0.0396","","","0.1002","0.107","","","","","","0.977","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206377","6.0828","0.0002","27.0507","0.0008","7.1963","0.0003","90","","111.673","0.004","90","","1100.4","0.07","294","2","294","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","NopM","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Mocilac, Pavle; Gallagher, John F.","Structural systematics and conformational analyses of a 3 ×3 isomer grid of nine N-(tolyl)pyridinecarboxamides and three chlorinated relatives","CrystEngComm","2011","13","17","5354","","10.1039/c1ce05169e","","","0.71073","MoKα","","0.0664","0.0347","","","0.0759","0.0828","","","","","","0.842","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206378","9.2326","0.0004","14.0836","0.0004","9.4162","0.0004","90","","105.661","0.004","90","","1178.92","0.08","294","2","294","1","","","","","","","","4","P 1 21 1","P 2yb","4","NomM","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","2","","Mocilac, Pavle; Gallagher, John F.","Structural systematics and conformational analyses of a 3 ×3 isomer grid of nine N-(tolyl)pyridinecarboxamides and three chlorinated relatives","CrystEngComm","2011","13","17","5354","","10.1039/c1ce05169e","","","0.71073","MoKα","","0.1375","0.0292","","","0.0362","0.0446","","","","","","0.667","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206379","7.7696","0.0002","17.6232","0.0003","8.8462","0.0003","90","","114.817","0.004","90","","1099.41","0.06","294","2","294","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","NooM","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Mocilac, Pavle; Gallagher, John F.","Structural systematics and conformational analyses of a 3 ×3 isomer grid of nine N-(tolyl)pyridinecarboxamides and three chlorinated relatives","CrystEngComm","2011","13","17","5354","","10.1039/c1ce05169e","","","0.71073","MoKα","","0.0613","0.0365","","","0.0881","0.0934","","","","","","0.926","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206380","7.36124","0.00011","14.41068","0.00019","11.21075","0.00016","90","","90","","90","","1189.24","0.03","294","2","294","1","","","","","","","","5","P c a 21","P 2c -2ac","29","Cl_NopM","","","- C13 H11 Cl N2 O -","- C13 H11 Cl N2 O -","- C52 H44 Cl4 N8 O4 -","4","1","","Mocilac, Pavle; Gallagher, John F.","Structural systematics and conformational analyses of a 3 ×3 isomer grid of nine N-(tolyl)pyridinecarboxamides and three chlorinated relatives","CrystEngComm","2011","13","17","5354","","10.1039/c1ce05169e","","","0.71073","MoKα","","0.0297","0.026","","","0.0639","0.0652","","","","","","0.983","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206381","7.417","0.002","21.006","0.004","8.546","0.002","90","","115.28","0.03","90","","1204","0.6","294","2","294","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Cl-NomM","","","- C13 H11 Cl N2 O -","- C13 H11 Cl N2 O -","- C52 H44 Cl4 N8 O4 -","4","1","","Mocilac, Pavle; Gallagher, John F.","Structural systematics and conformational analyses of a 3 ×3 isomer grid of nine N-(tolyl)pyridinecarboxamides and three chlorinated relatives","CrystEngComm","2011","13","17","5354","","10.1039/c1ce05169e","","","0.71073","MoKα","","0.1192","0.0657","","","0.2127","0.2332","","","","","","1.004","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206382","7.3288","0.0006","7.4392","0.0005","21.5025","0.0014","90","","91.481","0.007","90","","1171.93","0.15","294","2","294","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Cl_NooM","","","- C13 H11 Cl N2 O -","- C13 H11 Cl N2 O -","- C52 H44 Cl4 N8 O4 -","4","1","","Mocilac, Pavle; Gallagher, John F.","Structural systematics and conformational analyses of a 3 ×3 isomer grid of nine N-(tolyl)pyridinecarboxamides and three chlorinated relatives","CrystEngComm","2011","13","17","5354","","10.1039/c1ce05169e","","","0.71073","MoKα","","0.0531","0.0375","","","0.099","0.1034","","","","","","1.068","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206383","19.87","0.002","10.8608","0.0009","4.9241","0.0005","90","","90","","90","","1062.64","0.18","294","2","294","1","","","","","","","","5","P n a 21","P 2c -2n","33","NmpFM","","","- C25 H21 F N4 O2 -","- C25 H21 F N4 O2 -","- C50 H42 F2 N8 O4 -","2","0.5","","Mocilac, Pavle; Gallagher, John F.","Structural systematics and conformational analyses of a 3 ×3 isomer grid of nine N-(tolyl)pyridinecarboxamides and three chlorinated relatives","CrystEngComm","2011","13","17","5354","","10.1039/c1ce05169e","","","0.71073","MoKα","","0.0448","0.0348","","","0.0888","0.0926","","","","","","1.049","","","","has coordinates,has disorder","180394","2020-10-21","18:00:00",""
"7206384","9.29748","0.00017","17.0234","0.0003","11.6312","0.0002","90","","96.4898","0.0007","90","","1829.13","0.06","296.1","","296.1","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H42 N6 O2 -","- C40 H42 N6 O2 -","- C80 H84 N12 O4 -","2","0.5","","Kim, Byung-Soon; Jindo, Takumi; Eto, Ryohei; Shinohara, Yohei; Son, Young-A; Kim, Sung-Hoon; Matsumoto, Shinya","Effects of alkoxy substitution on the crystal structure of 2,3-bis[(E)-4-(diethylamino)-2-alkoxybenzylideneamino]fumaronitrile derivatives","CrystEngComm","2011","13","17","5374","","10.1039/c1ce05198a","","","1.54187","CuKα","","","0.051","","","","0.0799","","","","","","1.342","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206385","9.05098","0.00016","18.4036","0.0003","10.30599","0.00019","90","","95.8851","0.0007","90","","1707.63","0.05","296.1","","296.1","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H38 N6 O2 -","- C38 H38 N6 O2 -","- C76 H76 N12 O4 -","2","0.5","","Kim, Byung-Soon; Jindo, Takumi; Eto, Ryohei; Shinohara, Yohei; Son, Young-A; Kim, Sung-Hoon; Matsumoto, Shinya","Effects of alkoxy substitution on the crystal structure of 2,3-bis[(E)-4-(diethylamino)-2-alkoxybenzylideneamino]fumaronitrile derivatives","CrystEngComm","2011","13","17","5374","","10.1039/c1ce05198a","","","1.54187","CuKα","","","0.0573","","","","0.0923","","","","","","1.783","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206386","10.17467","0.00018","10.78264","0.00019","14.7446","0.0003","108.431","0.0007","93.431","0.0007","105.419","0.0007","1460.99","0.05","296.1","","296.1","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H38 N6 O2 -","- C30 H38 N6 O2 -","- C60 H76 N12 O4 -","2","1","","Kim, Byung-Soon; Jindo, Takumi; Eto, Ryohei; Shinohara, Yohei; Son, Young-A; Kim, Sung-Hoon; Matsumoto, Shinya","Effects of alkoxy substitution on the crystal structure of 2,3-bis[(E)-4-(diethylamino)-2-alkoxybenzylideneamino]fumaronitrile derivatives","CrystEngComm","2011","13","17","5374","","10.1039/c1ce05198a","","","1.54187","CuKα","","","0.0702","","","","0.1067","","","","","","1.911","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206387","8.2371","0.0004","8.8466","0.0004","11.253","0.0005","89.726","0.003","70.2419","0.0019","83.791","0.003","766.76","0.06","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H42 N6 O2 -","- C32 H42 N6 O2 -","- C32 H42 N6 O2 -","1","0.5","","Kim, Byung-Soon; Jindo, Takumi; Eto, Ryohei; Shinohara, Yohei; Son, Young-A; Kim, Sung-Hoon; Matsumoto, Shinya","Effects of alkoxy substitution on the crystal structure of 2,3-bis[(E)-4-(diethylamino)-2-alkoxybenzylideneamino]fumaronitrile derivatives","CrystEngComm","2011","13","17","5374","","10.1039/c1ce05198a","","","1.54187","CuKα","","","0.0762","","","","0.2816","","","","","","1.201","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206388","8.248","0.0003","23.4817","0.0007","9.0521","0.0003","90","","94.551","0.0016","90","","1747.66","0.1","296.1","","296.1","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C36 H50 N6 O2 -","- C36 H50 N6 O2 -","- C72 H100 N12 O4 -","2","0.5","","Kim, Byung-Soon; Jindo, Takumi; Eto, Ryohei; Shinohara, Yohei; Son, Young-A; Kim, Sung-Hoon; Matsumoto, Shinya","Effects of alkoxy substitution on the crystal structure of 2,3-bis[(E)-4-(diethylamino)-2-alkoxybenzylideneamino]fumaronitrile derivatives","CrystEngComm","2011","13","17","5374","","10.1039/c1ce05198a","","","1.54187","CuKα","","","0.0527","","","","0.0794","","","","","","1.214","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206389","8.1103","0.0005","9.1024","0.0006","14.0291","0.001","80.067","0.003","88.748","0.004","78.422","0.003","999.3","0.12","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C40 H58 N6 O2 -","- C40 H58 N6 O2 -","- C40 H58 N6 O2 -","1","0.5","","Kim, Byung-Soon; Jindo, Takumi; Eto, Ryohei; Shinohara, Yohei; Son, Young-A; Kim, Sung-Hoon; Matsumoto, Shinya","Effects of alkoxy substitution on the crystal structure of 2,3-bis[(E)-4-(diethylamino)-2-alkoxybenzylideneamino]fumaronitrile derivatives","CrystEngComm","2011","13","17","5374","","10.1039/c1ce05198a","","","1.54187","CuKα","","","0.0758","","","","0.2376","","","","","","0.84","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206390","8.041","0.0009","9.1576","0.0011","14.7496","0.0018","80.917","0.006","83.981","0.006","78.266","0.005","1047.1","0.2","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C42 H62 N6 O2 -","- C42 H62 N6 O2 -","- C42 H62 N6 O2 -","1","0.5","","Kim, Byung-Soon; Jindo, Takumi; Eto, Ryohei; Shinohara, Yohei; Son, Young-A; Kim, Sung-Hoon; Matsumoto, Shinya","Effects of alkoxy substitution on the crystal structure of 2,3-bis[(E)-4-(diethylamino)-2-alkoxybenzylideneamino]fumaronitrile derivatives","CrystEngComm","2011","13","17","5374","","10.1039/c1ce05198a","","","1.54187","CuKα","","","0.082","","","","0.2802","","","","","","1.111","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206391","8.1175","0.0003","12.4218","0.0004","13.0984","0.0004","62.6097","0.0016","86.3048","0.0019","76.9618","0.0018","1141.28","0.07","296.1","","296.1","","","","","","","","","4","P -1","-P 1","2","","","","- C46 H70 N6 O2 -","- C46 H70 N6 O2 -","- C46 H70 N6 O2 -","1","0.5","","Kim, Byung-Soon; Jindo, Takumi; Eto, Ryohei; Shinohara, Yohei; Son, Young-A; Kim, Sung-Hoon; Matsumoto, Shinya","Effects of alkoxy substitution on the crystal structure of 2,3-bis[(E)-4-(diethylamino)-2-alkoxybenzylideneamino]fumaronitrile derivatives","CrystEngComm","2011","13","17","5374","","10.1039/c1ce05198a","","","1.54187","CuKα","","","0.0693","","","","0.0932","","","","","","1.383","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206392","6.5447","0.0002","7.4781","0.0003","8.7578","0.0003","90","","93.8955","0.0014","90","","427.63","0.03","290","","290","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C4 H8 Er N O8 -","- C4 H8 Er N O8 -","- C8 H16 Er2 N2 O16 -","2","1","","Liu, Bin; Zheng, Hai-Bin; Wang, Zhe-Ming; Gao, Song","Chiral crystalline solids of ammonium-templated ErIII‒formate frameworks assembled from three achiral acentric components","CrystEngComm","2011","13","17","5285","","10.1039/c1ce05250k","","","0.71073","MoKα","","0.0299","0.0259","","","0.0532","0.0541","","","","","","0.997","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7206393","6.6118","0.0001","7.5662","0.0002","9.2756","0.0002","90","","99.8267","0.0012","90","","457.215","0.017","290","","290","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C5 H10 Er N O8 -","- C5 H10 Er N O8 -","- C10 H20 Er2 N2 O16 -","2","1","","Liu, Bin; Zheng, Hai-Bin; Wang, Zhe-Ming; Gao, Song","Chiral crystalline solids of ammonium-templated ErIII‒formate frameworks assembled from three achiral acentric components","CrystEngComm","2011","13","17","5285","","10.1039/c1ce05250k","","","0.71073","MoKα","","0.0232","0.0214","","","0.0488","0.0492","","","","","","1.05","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7206394","6.6552","0.0002","18.3549","0.0005","8.4346","0.0003","90","","90","","90","","1030.33","0.06","290","","290","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C5 H9 Er N2 O8 -","- C5 H9 Er N2 O8 -","- C20 H36 Er4 N8 O32 -","4","0.5","","Liu, Bin; Zheng, Hai-Bin; Wang, Zhe-Ming; Gao, Song","Chiral crystalline solids of ammonium-templated ErIII‒formate frameworks assembled from three achiral acentric components","CrystEngComm","2011","13","17","5285","","10.1039/c1ce05250k","","","0.71073","MoKα","","0.0294","0.0224","","","0.0428","0.0439","","","","","","0.984","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7206395","6.6456","0.0003","8.0898","0.0003","20.1549","0.001","90","","90","","90","","1083.56","0.08","290","","290","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H10 Er N3 O8 -","- C5 H10 Er N3 O8 -","- C20 H40 Er4 N12 O32 -","4","1","","Liu, Bin; Zheng, Hai-Bin; Wang, Zhe-Ming; Gao, Song","Chiral crystalline solids of ammonium-templated ErIII‒formate frameworks assembled from three achiral acentric components","CrystEngComm","2011","13","17","5285","","10.1039/c1ce05250k","","","0.71073","MoKα","","0.0585","0.0317","","","0.0487","0.0524","","","","","","0.917","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"7206396","6.6973","0.0001","8.2497","0.0002","20.3822","0.0006","90","","90","","90","","1126.13","0.05","290","","290","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H9 Er N2 O8 -","- C7 H9 Er N2 O8 -","- C28 H36 Er4 N8 O32 -","4","1","","Liu, Bin; Zheng, Hai-Bin; Wang, Zhe-Ming; Gao, Song","Chiral crystalline solids of ammonium-templated ErIII‒formate frameworks assembled from three achiral acentric components","CrystEngComm","2011","13","17","5285","","10.1039/c1ce05250k","","","0.71073","MoKα","","0.0415","0.0252","","","0.0476","0.05","","","","","","0.924","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"7206397","6.6349","0.0002","8.6371","0.0003","9.6727","0.0003","90","","102.101","0.002","90","","541.99","0.03","290","","290","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H12 Er N O8 -","- C6 H12 Er N O8 -","- C12 H24 Er2 N2 O16 -","2","1","","Liu, Bin; Zheng, Hai-Bin; Wang, Zhe-Ming; Gao, Song","Chiral crystalline solids of ammonium-templated ErIII‒formate frameworks assembled from three achiral acentric components","CrystEngComm","2011","13","17","5285","","10.1039/c1ce05250k","","","0.71073","MoKα","","0.0339","0.0252","","","0.0443","0.0455","","","","","","0.96","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7206398","6.6243","0.0002","8.6345","0.0003","9.7545","0.0002","90","","102.599","0.0014","90","","544.5","0.03","293","2","290","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H12 Er N O9 -","- C6 H12 Er N O9 -","- C12 H24 Er2 N2 O18 -","2","1","","Liu, Bin; Zheng, Hai-Bin; Wang, Zhe-Ming; Gao, Song","Chiral crystalline solids of ammonium-templated ErIII‒formate frameworks assembled from three achiral acentric components","CrystEngComm","2011","13","17","5285","","10.1039/c1ce05250k","","","0.71073","MoKα","","0.025","0.0204","","","0.0387","0.0395","","","","","","0.994","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7206399","16.283","0.003","20.73","0.004","7.3864","0.0013","90","","114.943","0.002","90","","2260.7","0.7","120","","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H28 Cl2 O5 -","- C22 H22 Cl2 O5 -","- C88 H88 Cl8 O20 -","4","0.5","","Tominaga, Masahide; Masu, Hyuma; Azumaya, Isao","Pseudopolymorphism of an adamantane-based bisphenol containing water molecules: a role of clathrate hydrates in hydrogen-bonded networks","CrystEngComm","2011","13","17","5299","","10.1039/c1ce05253e","","","0.71073","MoKα","","0.0809","0.059","","","0.1896","0.206","","","","","","1.111","","","","has coordinates,has disorder","180394","2020-10-21","18:00:00",""
"7206400","7.6152","0.0007","9.7211","0.0009","13.3979","0.0012","73.869","0.001","84.374","0.001","89.451","0.001","948.02","0.15","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H24 Cl2 O3 -","- C22 H22 Cl2 O3 -","- C44 H44 Cl4 O6 -","2","1","","Tominaga, Masahide; Masu, Hyuma; Azumaya, Isao","Pseudopolymorphism of an adamantane-based bisphenol containing water molecules: a role of clathrate hydrates in hydrogen-bonded networks","CrystEngComm","2011","13","17","5299","","10.1039/c1ce05253e","","","0.71073","MoKα","","0.044","0.0373","","","0.0996","0.1044","","","","","","1.06","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206401","23.981","0.007","23.981","0.007","17.162","0.005","90","","90","","120","","8547","4","150","","150","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C22 H24 Cl2 O3 -","- C22 H22 Cl2 O3 -","- C396 H396 Cl36 O54 -","18","1","","Tominaga, Masahide; Masu, Hyuma; Azumaya, Isao","Pseudopolymorphism of an adamantane-based bisphenol containing water molecules: a role of clathrate hydrates in hydrogen-bonded networks","CrystEngComm","2011","13","17","5299","","10.1039/c1ce05253e","","","0.71073","MoKα","","0.0674","0.0508","","","0.1368","0.1484","","","","","","1.074","","","","has coordinates,has disorder","180395","2020-10-21","18:00:00",""
"7206402","28.67338","0.00023","11.152871","0.000061","10.668212","0.000055","90","","90","","90","","3411.59","0.04","298","2","","","","","","","","","","5","P c a b","-P 2bc 2ac","61","Propylthiouracil","6-propyl-2-thiouracil","","- C7 H10 N2 O S -","- C7 H10 N2 O S -","- C112 H160 N32 O16 S16 -","16","2","","Ferreira, Fabio Furlan; Trindade, Antonio Carlos; Antonio, Selma Gutierrez; de Oliveira Paiva-Santos, Carlos","Crystal structure of propylthiouracil determined using high-resolution synchrotron X-ray powder diffraction","CrystEngComm","2011","13","17","5474","","10.1039/c1ce05362k","powder diffraction","","1.23982","synchrotron","","","","","","","","0.01572","0.0157","1.6","","","","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206403","9.959","0.0005","10.0093","0.0005","11.8264","0.0006","94.823","0.001","110.532","0.001","118.443","0.001","924.49","0.08","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H32 Cu4 N10 O13 -","- C34 H32 Cu4 N10 O13 -","- C34 H32 Cu4 N10 O13 -","1","0.5","","Wu, Jin-Ji; Xue, Wei; Cao, Man-Li; Qiao, Zheng-Ping; Ye, Bao-Hui","Temperature-dependent supramolecular isomers of a tetranuclear macrocycle and a zigzag chain based on dicopper building blocks","CrystEngComm","2011","13","17","5495","","10.1039/c1ce05370a","","","0.71073","MoKα","","0.0267","0.0248","","","0.0677","0.0693","","","","","","1.061","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206404","7.5589","0.0005","13.892","0.0008","18.9818","0.0012","90","","97.233","0.001","90","","1977.4","0.2","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H37 Cu4 N10 O15.5 -","- C34 H37 Cu4 N10 O15.5 -","- C68 H74 Cu8 N20 O31 -","2","0.5","","Wu, Jin-Ji; Xue, Wei; Cao, Man-Li; Qiao, Zheng-Ping; Ye, Bao-Hui","Temperature-dependent supramolecular isomers of a tetranuclear macrocycle and a zigzag chain based on dicopper building blocks","CrystEngComm","2011","13","17","5495","","10.1039/c1ce05370a","","","0.71073","MoKα","","0.0511","0.0364","","","0.0837","0.0921","","","","","","1.043","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206405","18.87","0.002","18.87","0.002","9.7466","0.0012","90","","90","","120","","3005.6","0.6","293","2","293","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C42 H56 Cl3 Co N18 O19 -","- C42 H30 Cl3 Co N18 O19 -","- C84 H60 Cl6 Co2 N36 O38 -","2","0.166667","","Kawade, Vitthal A.; Kumbhar, Avinash S.; Erxleben, Andrea; Pachfule, Pradip; Banerjee, Rahul","Hydrogen bond directed honeycomb-like porous network structure of tris(bipyridyl-glycoluril)cobalt(iii) chloride","CrystEngComm","2011","13","17","5289","","10.1039/c1ce05376k","","","0.71073","MoKα","","0.1212","0.1015","","","0.2574","0.273","","","","","","1.273","","","","has coordinates,has disorder","180395","2020-10-21","18:00:00",""
"7206406","9.4301","0.0007","9.4986","0.0007","12.5942","0.0009","105.235","0.002","101.467","0.002","93.622","0.002","1058.75","0.13","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H56 N6 Ni O5 P2 S4 -","- C33 H56 N6 Ni O5 P2 S4 -","- C33 H56 N6 Ni O5 P2 S4 -","1","0.5","","Babashkina, Maria G.; Safin, Damir A.; Srebro, Monika; Kubisiak, Piotr; Mitoraj, Mariusz P.; Bolte, Michael; Garcia, Yann","Solvent-induced 1,3-N,S- vs. 1,5-S,S′-coordination in the NiII complex [Ni{p-Me2NC6H4NHC(S)NP(S)(OiPr)2}2]","CrystEngComm","2011","13","17","5321","","10.1039/c1ce05387f","","","0.71073","MoKα","","0.0379","0.0304","","","0.076","0.0834","","","","","","1.103","","","","has coordinates,has disorder","180395","2020-10-21","18:00:00",""
"7206407","15.0369","0.0005","17.5722","0.0006","24.6552","0.0008","89.796","0.002","73.261","0.002","72.496","0.002","5925.1","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H50 N6 Ni O4 P2 S4 -","- C30 H50 N6 Ni O4 P2 S4 -","- C180 H300 N36 Ni6 O24 P12 S24 -","6","3","","Babashkina, Maria G.; Safin, Damir A.; Srebro, Monika; Kubisiak, Piotr; Mitoraj, Mariusz P.; Bolte, Michael; Garcia, Yann","Solvent-induced 1,3-N,S- vs. 1,5-S,S′-coordination in the NiII complex [Ni{p-Me2NC6H4NHC(S)NP(S)(OiPr)2}2]","CrystEngComm","2011","13","17","5321","","10.1039/c1ce05387f","","","0.71073","MoKα","","0.0983","0.0468","","","0.0989","0.1213","","","","","","1.006","","","","has coordinates,has disorder","180395","2020-10-21","18:00:00",""
"7206408","10.67","0.0006","10.9118","0.0007","11.7075","0.0007","106.238","0.003","94.151","0.003","91.344","0.003","1303.92","0.14","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H46 Cr Mn Mo6 N4 Na O38 -","- C32 H28 Cr Mn Mo6 N4 Na O38 -","- C32 H28 Cr Mn Mo6 N4 Na O38 -","1","0.5","","An, Haiyan; Liu, Xuan; Chen, Hao; Han, Zhengbo; Zhang, Hua; Chen, Zhaofei","Assembling Anderson-type polyoxometalates with manganese(ii) in the presence of pyridylacrylic acid ligands: a 2D layer and two polymorphs","CrystEngComm","2011","13","17","5384","","10.1039/c1ce05391d","","","0.71073","MoKα","","0.0292","0.0271","","","0.0779","0.0798","","","","","","1.029","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206409","10.2656","0.0007","15.8195","0.0009","32.146","0.002","90","","96.754","0.004","90","","5184.2","0.6","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H98 Cr2 Mn3 Mo12 N6 O82 -","- C48 H42 Cr2 Mn3 Mo12 N6 O82 -","- C96 H84 Cr4 Mn6 Mo24 N12 O164 -","2","0.5","","An, Haiyan; Liu, Xuan; Chen, Hao; Han, Zhengbo; Zhang, Hua; Chen, Zhaofei","Assembling Anderson-type polyoxometalates with manganese(ii) in the presence of pyridylacrylic acid ligands: a 2D layer and two polymorphs","CrystEngComm","2011","13","17","5384","","10.1039/c1ce05391d","","","0.71073","MoKα","","0.0393","0.0319","","","0.0879","0.0926","","","","","","1.058","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206410","14.275","0.002","14.3852","0.0019","15.755","0.002","115.364","0.007","93.342","0.009","112.53","0.007","2602.6","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H98 Cr2 Mn3 Mo12 N6 O82 -","- C48 H42 Cr2 Mn3 Mo12 N6 O82 -","- C48 H42 Cr2 Mn3 Mo12 N6 O82 -","1","0.5","","An, Haiyan; Liu, Xuan; Chen, Hao; Han, Zhengbo; Zhang, Hua; Chen, Zhaofei","Assembling Anderson-type polyoxometalates with manganese(ii) in the presence of pyridylacrylic acid ligands: a 2D layer and two polymorphs","CrystEngComm","2011","13","17","5384","","10.1039/c1ce05391d","","","0.71073","MoKα","","0.0887","0.0447","","","0.1147","0.1324","","","","","","1.012","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206411","18.918","0.0013","7.3603","0.0004","12.9038","0.0007","90","","96.722","0.002","90","","1784.4","0.18","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 Cu N8 O9 -","- C14 H14 Cu N8 O9 -","- C56 H56 Cu4 N32 O36 -","4","0.5","","Yang, En-Cui; Liu, Zhong-Yi; Zhao, Li-Na; Yang, You-Li; Zhang, Cui-Hua; Zhao, Xiao-Jun","Ligand-deprotonation induced structural diversity in a ternary CuII-triazole-tetracarboxylate self-assembly system: Synthesis, crystal structures, and magnetic behavior","CrystEngComm","2011","13","17","5401","","10.1039/c1ce05396e","","","0.71073","MoKα","","0.0265","0.0258","","","0.0718","0.0723","","","","","","1.047","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206412","8.2308","0.0003","18.9146","0.0006","11.7353","0.0004","90","","91.232","0.001","90","","1826.56","0.11","296","2","296","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C18 H28 Cl2 Cu3 N16 O21 -","- C18 H24 Cl2 Cu3 N17 O21 -","- C36 H48 Cl4 Cu6 N34 O42 -","2","0.5","","Yang, En-Cui; Liu, Zhong-Yi; Zhao, Li-Na; Yang, You-Li; Zhang, Cui-Hua; Zhao, Xiao-Jun","Ligand-deprotonation induced structural diversity in a ternary CuII-triazole-tetracarboxylate self-assembly system: Synthesis, crystal structures, and magnetic behavior","CrystEngComm","2011","13","17","5401","","10.1039/c1ce05396e","","","0.71073","MoKα","","0.0499","0.047","","","0.1375","0.1408","","","","","","1.06","","","","has coordinates,has disorder","180395","2020-10-21","18:00:00",""
"7206413","7.067","0.004","7.563","0.004","9.867","0.005","69.266","0.007","88.868","0.008","75.042","0.007","475","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H16 Cu N8 O10 -","- C14 H16 Cu N8 O10 -","- C14 H16 Cu N8 O10 -","1","0.5","","Yang, En-Cui; Liu, Zhong-Yi; Zhao, Li-Na; Yang, You-Li; Zhang, Cui-Hua; Zhao, Xiao-Jun","Ligand-deprotonation induced structural diversity in a ternary CuII-triazole-tetracarboxylate self-assembly system: Synthesis, crystal structures, and magnetic behavior","CrystEngComm","2011","13","17","5401","","10.1039/c1ce05396e","","","0.71073","MoKα","","0.027","0.0259","","","0.0683","0.0692","","","","","","1.029","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206414","10.1419","0.0014","8.3005","0.0011","24.505","0.003","90","","108.03","0.005","90","","1961.6","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14.5 Cu2 N8 O10.25 -","- C14 H14 Cu2 N8 O10.25 -","- C56 H56 Cu8 N32 O41 -","4","1","","Yang, En-Cui; Liu, Zhong-Yi; Zhao, Li-Na; Yang, You-Li; Zhang, Cui-Hua; Zhao, Xiao-Jun","Ligand-deprotonation induced structural diversity in a ternary CuII-triazole-tetracarboxylate self-assembly system: Synthesis, crystal structures, and magnetic behavior","CrystEngComm","2011","13","17","5401","","10.1039/c1ce05396e","","","0.71073","MoKα","","0.0486","0.0378","","","0.0871","0.0918","","","","","","1.06","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206415","10.35","0.002","11.989","0.002","21.671","0.004","86.9","0.03","78.51","0.03","69.14","0.03","2462","1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","[Mn(biphen)2(3-pic)2][Na(EtOH)3(biphenH2)]","","","- C54 H58 Mn N2 Na O9 -","- C54 H58 Mn N2 Na O9 -","- C108 H116 Mn2 N4 Na2 O18 -","2","1","","Berg, Nelly; Jones, Leigh F.","A series of alternating Na+/M3+ (M = Mn, Fe) covalent and ionic chains","CrystEngComm","2011","13","17","5510","","10.1039/c1ce05406f","","","0.7107","MoKα","","0.0941","0.061","","","0.1454","0.1634","","","","","","1.065","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206416","11.814","0.002","12.513","0.003","22.786","0.005","96.06","0.03","98.11","0.03","115.49","0.03","2957.6","1.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","(Na2Mn2(biphen)4(py)3(EtOH)2)n","","","- C67 H59 Mn2 N3 Na2 O10 -","- C67 H57 Mn2 N3 Na2 O10 -","- C134 H114 Mn4 N6 Na4 O20 -","2","1","","Berg, Nelly; Jones, Leigh F.","A series of alternating Na+/M3+ (M = Mn, Fe) covalent and ionic chains","CrystEngComm","2011","13","17","5510","","10.1039/c1ce05406f","","","0.7107","MoKα","","0.1225","0.0599","","","0.1218","0.1411","","","","","","0.966","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206417","11.293","0.002","15.606","0.003","17.596","0.004","84.81","0.03","77.73","0.03","81.07","0.03","2988.2","1.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","(Na2Mn2(biphen)4(EtOH)3(3-cnp)2)n","","","- C132 H116 Mn4 N8 Na4 O22 -","- C132 H116 Mn4 N8 Na4 O22 -","- C132 H116 Mn4 N8 Na4 O22 -","1","0.5","","Berg, Nelly; Jones, Leigh F.","A series of alternating Na+/M3+ (M = Mn, Fe) covalent and ionic chains","CrystEngComm","2011","13","17","5510","","10.1039/c1ce05406f","","","0.7107","MoKα","","0.158","0.0814","","","0.1366","0.1698","","","","","","1.036","","","","has coordinates","183806","2020-10-21","18:00:00",""
"7206418","10.377","0.002","21.331","0.004","23.121","0.005","90","","99.53","0.03","90","","5047.2","1.8","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(Na(biphenH2)(EtOH)2(H2O))(Mn(biphen)2(4-cnp)2)","","","- C52 H46 Mn N4 Na O9 -","- C52 H46 Mn N4 Na O9 -","- C208 H184 Mn4 N16 Na4 O36 -","4","1","","Berg, Nelly; Jones, Leigh F.","A series of alternating Na+/M3+ (M = Mn, Fe) covalent and ionic chains","CrystEngComm","2011","13","17","5510","","10.1039/c1ce05406f","","","0.7107","MoKα","","0.1069","0.0725","","","0.2473","0.2652","","","","","","1.059","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206419","8.0916","0.0003","11.3472","0.0005","13.267","0.0004","90","","105.773","0.002","90","","1172.27","0.08","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","propallylonal, noctal, nostal, quietal, ibomal","5-Isopropyl-5-(2-bromoallyl)-barbituric acid","","- C10 H13 Br N2 O3 -","- C10 H13 Br N2 O3 -","- C40 H52 Br4 N8 O12 -","4","1","","Gelbrich, Thomas; Rossi, Denise; Häfele, Clemens A.; Griesser, Ulrich J.","Barbiturates with hydrogen-bonded layer and framework structures","CrystEngComm","2011","13","17","5502","","10.1039/c1ce05430a","","","0.71073","MoKα","","0.0671","0.0439","","","0.092","0.0992","","","","","","1.052","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206420","11.544","0.0003","11.5528","0.0003","20.0656","0.0005","90","","100.481","0.003","90","","2631.41","0.12","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","5,5-dichlorobarbituric acid","","- C4 H2 Cl2 N2 O3 -","- C4 H2 Cl2 N2 O3 -","- C64 H32 Cl32 N32 O48 -","16","4","","Gelbrich, Thomas; Rossi, Denise; Häfele, Clemens A.; Griesser, Ulrich J.","Barbiturates with hydrogen-bonded layer and framework structures","CrystEngComm","2011","13","17","5502","","10.1039/c1ce05430a","","","0.71073","MoKα","","0.0261","0.0235","","","0.0567","0.0572","","","","","","0.983","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206421","11.3096","0.0003","12.9226","0.0004","29.1608","0.0008","90","","90","","90","","4261.8","0.2","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5,5-dichlorobarbituric acid","","- C4 H2 Cl2 N2 O3 -","- C4 H2 Cl2 N2 O3 -","- C96 H48 Cl48 N48 O72 -","24","3","","Gelbrich, Thomas; Rossi, Denise; Häfele, Clemens A.; Griesser, Ulrich J.","Barbiturates with hydrogen-bonded layer and framework structures","CrystEngComm","2011","13","17","5502","","10.1039/c1ce05430a","","","0.71073","MoKα","","0.0389","0.03","","","0.0638","0.0671","","","","","","1.045","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206422","11.4204","0.0002","12.9897","0.0003","30.0304","0.0008","90","","90","","90","","4454.94","0.18","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5,5-dibromorobarbituric acid","","- C4 H2 Br2 N2 O3 -","- C4 H2 Br2 N2 O3 -","- C96 H48 Br48 N48 O72 -","24","3","","Gelbrich, Thomas; Rossi, Denise; Häfele, Clemens A.; Griesser, Ulrich J.","Barbiturates with hydrogen-bonded layer and framework structures","CrystEngComm","2011","13","17","5502","","10.1039/c1ce05430a","","","0.71073","MoKα","","0.0742","0.0519","","","0.0991","0.1078","","","","","","1.006","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206423","17.5105","0.0012","6.6869","0.0003","13.6714","0.0009","90","","110.493","0.008","90","","1499.49","0.18","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5,5-dibromorobarbituric acid","","- C4 H2 Br2 N2 O3 -","- C4 H2 Br2 N2 O3 -","- C32 H16 Br16 N16 O24 -","8","2","","Gelbrich, Thomas; Rossi, Denise; Häfele, Clemens A.; Griesser, Ulrich J.","Barbiturates with hydrogen-bonded layer and framework structures","CrystEngComm","2011","13","17","5502","","10.1039/c1ce05430a","","","0.71073","MoKα","","0.0597","0.0349","","","0.0668","0.0696","","","","","","0.883","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206424","5.2387","0.0008","7.0211","0.0011","33.169","0.006","90.775","0.017","92.741","0.012","101.073","0.008","1195.6","0.3","150","","150","","","","","","","","Synthesized by the authors. See text","4","P -1","-P 1","2","","","","- C21 H40 N4 O4 -","- C21 H40 N4 O4 -","- C42 H80 N8 O8 -","2","1","","Duong, Adam; Maris, Thierry; Wuest, James D.","Engineering homologous molecular organization in 2D and 3D. Cocrystallization of aminoazines and alkanecarboxylic acids","CrystEngComm","2011","13","18","5571","","10.1039/c1ce05445g","","","1.54178","CuKα","","0.1229","0.0817","","","0.2076","0.2417","","","","","","1.006","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206425","51.63","0.004","4.7775","0.0003","4.129","0.0003","90","","90","","90","","1018.47","0.13","150","","150","","","","","","","","Synthesized by the authors. See text","4","P m n 21","P 2ac -2","31","","","","- C17 H33 N5 O4 -","- C17 H33 N5 O4 -","- C34 H66 N10 O8 -","2","0.5","","Duong, Adam; Maris, Thierry; Wuest, James D.","Engineering homologous molecular organization in 2D and 3D. Cocrystallization of aminoazines and alkanecarboxylic acids","CrystEngComm","2011","13","18","5571","","10.1039/c1ce05445g","","","1.54178","CuKα","","0.0831","0.0793","","","0.2398","0.2424","","","","","","1.002","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206426","5.404","0.0007","5.4119","0.0008","40.042","0.007","90","","96.158","0.009","90","","1164.3","0.3","296","2","296","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C22 H41 N3 O4 -","- C22 H41 N3 O4 -","- C44 H82 N6 O8 -","2","1","","Duong, Adam; Maris, Thierry; Wuest, James D.","Engineering homologous molecular organization in 2D and 3D. Cocrystallization of aminoazines and alkanecarboxylic acids","CrystEngComm","2011","13","18","5571","","10.1039/c1ce05445g","","","1.54178","CuKα","","0.1601","0.1129","","","0.3017","0.3339","","","","","","1.074","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206427","11.3496","0.0012","16.7326","0.0019","17.71","0.002","90","","98.499","0.001","90","","3326.3","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H28 N4 O6 Zn -","- C37 H28 N4 O6 Zn -","- C148 H112 N16 O24 Zn4 -","4","1","","Wang, Suna; Peng, Yanqiang; Wei, Xilian; Zhang, Qingfu; Wang, Daqi; Dou, Jianmin; Li, Dacheng; Bai, Junfeng","Temperature-dependent supramolecular isomerism in three zinc coordination polymers with pamoic acid and 1,4-bis(imidazol-1-ylmethyl)-benzene","CrystEngComm","2011","13","17","5313","","10.1039/c1ce05463e","","","0.71073","MoKα","","0.1086","0.0485","","","0.07","0.08","","","","","","0.98","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206428","14.7035","0.0014","17.1809","0.0017","16.0916","0.0016","90","","104.6","0.001","90","","3933.8","0.7","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H42 N6 O8 Zn -","- C43 H42 N6 O8 Zn -","- C172 H168 N24 O32 Zn4 -","4","1","","Wang, Suna; Peng, Yanqiang; Wei, Xilian; Zhang, Qingfu; Wang, Daqi; Dou, Jianmin; Li, Dacheng; Bai, Junfeng","Temperature-dependent supramolecular isomerism in three zinc coordination polymers with pamoic acid and 1,4-bis(imidazol-1-ylmethyl)-benzene","CrystEngComm","2011","13","17","5313","","10.1039/c1ce05463e","","","0.71073","MoKα","","0.1097","0.0512","","","0.1107","0.1279","","","","","","0.996","","","","has coordinates,has disorder","180395","2020-10-21","18:00:00",""
"7206429","11.683","0.01","15.571","0.014","26.71","0.02","90","","90","","90","","4859","7","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C48.1 H53.9 N7.7 O9.7 Zn -","- C37 H28 N4 O6 Zn -","- C148 H112 N16 O24 Zn4 -","4","1","","Wang, Suna; Peng, Yanqiang; Wei, Xilian; Zhang, Qingfu; Wang, Daqi; Dou, Jianmin; Li, Dacheng; Bai, Junfeng","Temperature-dependent supramolecular isomerism in three zinc coordination polymers with pamoic acid and 1,4-bis(imidazol-1-ylmethyl)-benzene","CrystEngComm","2011","13","17","5313","","10.1039/c1ce05463e","","","0.71073","MoKα","","0.1387","0.0623","","","0.0975","0.1057","","","","","","0.85","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206430","9.7267","0.0006","10.5251","0.0007","34.007","0.002","90","","90","","90","","3481.4","0.4","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H24 Cl6 N6 O8 -","- C26.75 H23.75 Cl5.25 N6 O8 -","- C107 H95 Cl21 N24 O32 -","4","1","","Lim, Jaebum; Miljanić, Ognjen Š.","Crystal structures of 8-arylethynyl substituted guanosine derivatives: are hydrogen-bonded ribbons a surprise?","CrystEngComm","2011","13","17","5309","","10.1039/c1ce05618b","","","0.71073","MoKα","","0.0961","0.059","","","0.1687","0.206","","","","","","1.038","","","","has coordinates,has disorder","180395","2020-10-21","18:00:00",""
"7206431","9.754","0.001","10.353","0.001","31.859","0.003","90","","90","","90","","3217.2","0.5","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H24 Cl6 N6 O8 -","- C25 H24 Cl6 N6 O8 -","- C100 H96 Cl24 N24 O32 -","4","1","","Lim, Jaebum; Miljanić, Ognjen Š.","Crystal structures of 8-arylethynyl substituted guanosine derivatives: are hydrogen-bonded ribbons a surprise?","CrystEngComm","2011","13","17","5309","","10.1039/c1ce05618b","","","0.71073","MoKα","","0.1195","0.0578","","","0.1242","0.1686","","","","","","1.218","","","","has coordinates,has disorder","180395","2020-10-21","18:00:00",""
"7206432","22.5402","0.0006","16.4113","0.0003","15.8608","0.0005","90","","117.669","0.004","90","","5196.2","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H44 Co2 N12 O8 -","- C56 H44 Co2 N12 O8 -","- C224 H176 Co8 N48 O32 -","4","0.5","","Yang, Jin; Ma, Jian-Fang; Batten, Stuart R.; Ng, Seik Weng; Liu, Ying-Ying","Supramolecular isomers: the first 3-fold interpenetrating 8-connected hex-c3 net and an unusual 4-fold interpenetrating 65.8 net","CrystEngComm","2011","13","17","5296","","10.1039/c1ce05775h","","","1.54178","CuKα","","0.0838","0.0636","","","0.1527","0.1613","","","","","","0.935","","","","has coordinates,has disorder","180395","2020-10-21","18:00:00",""
"7206433","12.897","0.005","13.785","0.005","29.519","0.005","90","0.005","95.998","0.005","90","0.005","5219","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H44 Co2 N12 O8 -","- C56 H44 Co2 N12 O8 -","- C224 H176 Co8 N48 O32 -","4","1","","Yang, Jin; Ma, Jian-Fang; Batten, Stuart R.; Ng, Seik Weng; Liu, Ying-Ying","Supramolecular isomers: the first 3-fold interpenetrating 8-connected hex-c3 net and an unusual 4-fold interpenetrating 65.8 net","CrystEngComm","2011","13","17","5296","","10.1039/c1ce05775h","","","1.54184","CuKα","","0.1362","0.0685","","","0.1519","0.1746","","","","","","0.827","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206465","7.759","0.005","23.455","0.005","13.184","0.005","90","0.005","97.128","0.005","90","0.005","2380.8","1.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8.5 H11 Ag N5 O3.5 -","- C8.5 H10 Ag N5 O3.5 -","- C68 H80 Ag8 N40 O28 -","8","1","","Bai, Hong-Ye; Yang, Jin; Liu, Bo; Ma, Jian-Fang; Kan, Wei-Qiu; Liu, Yun-Yu; Liu, Ying-Ying","Syntheses, structures, and photoluminescence of five silver(i) coordination polymers based on tetrakis(imidazol-1-ylmethyl)methane","CrystEngComm","2011","13","19","5877","","10.1039/c0ce00834f","","","0.71073","MoKα","","0.0603","0.0411","","","0.1155","0.1217","","","","","","0.974","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206466","14.335","0.005","14.335","0.005","12.058","0.005","90","","90","","90","","2477.8","1.6","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C4.25 H5 Ag Br N2 -","- C4.25 H5 Ag Br N2 -","- C68 H80 Ag16 Br16 N32 -","16","1","","Bai, Hong-Ye; Yang, Jin; Liu, Bo; Ma, Jian-Fang; Kan, Wei-Qiu; Liu, Yun-Yu; Liu, Ying-Ying","Syntheses, structures, and photoluminescence of five silver(i) coordination polymers based on tetrakis(imidazol-1-ylmethyl)methane","CrystEngComm","2011","13","19","5877","","10.1039/c0ce00834f","","","0.71069","MoKα","","0.0395","0.0271","","","0.061","0.0628","","","","","","1.063","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206467","19.3312","0.0014","27.3761","0.0014","13.1924","0.0009","90","","114.059","0.009","90","","6375.1","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H34.5 Ag2 N8 O10.25 -","- C21 H20 Ag2 N8 O10.25 -","- C168 H160 Ag16 N64 O82 -","8","1","","Bai, Hong-Ye; Yang, Jin; Liu, Bo; Ma, Jian-Fang; Kan, Wei-Qiu; Liu, Yun-Yu; Liu, Ying-Ying","Syntheses, structures, and photoluminescence of five silver(i) coordination polymers based on tetrakis(imidazol-1-ylmethyl)methane","CrystEngComm","2011","13","19","5877","","10.1039/c0ce00834f","","","0.71073","MoKα","","0.207","0.0616","","","0.1408","0.169","","","","","","0.721","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206468","11.468","0.005","11.741","0.005","12.142","0.005","85.682","0.005","65.808","0.005","77.33","0.005","1454.8","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H32 Ag2 N8 O8 -","- C25 H32 Ag2 N8 O8 -","- C50 H64 Ag4 N16 O16 -","2","1","","Bai, Hong-Ye; Yang, Jin; Liu, Bo; Ma, Jian-Fang; Kan, Wei-Qiu; Liu, Yun-Yu; Liu, Ying-Ying","Syntheses, structures, and photoluminescence of five silver(i) coordination polymers based on tetrakis(imidazol-1-ylmethyl)methane","CrystEngComm","2011","13","19","5877","","10.1039/c0ce00834f","","","0.71073","MoKα","","0.0547","0.0376","","","0.0939","0.099","","","","","","1.024","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206469","11.406","0.005","17.637","0.005","16.979","0.005","90","0.005","106.836","0.005","90","0.005","3269","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H39 Ag2 N8 O11.5 -","- C25 H35 Ag2 N8 O11.5 -","- C100 H140 Ag8 N32 O46 -","4","1","","Bai, Hong-Ye; Yang, Jin; Liu, Bo; Ma, Jian-Fang; Kan, Wei-Qiu; Liu, Yun-Yu; Liu, Ying-Ying","Syntheses, structures, and photoluminescence of five silver(i) coordination polymers based on tetrakis(imidazol-1-ylmethyl)methane","CrystEngComm","2011","13","19","5877","","10.1039/c0ce00834f","","","0.71073","MoKα","","0.0713","0.0385","","","0.0898","0.0971","","","","","","0.904","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206470","3.8494","0.0019","3.8494","0.0019","4.894","0.005","90","","90","","90","","72.52","0.09","296","2","296","2","","","","","","","","2","P 4/n m m :2","-P 4a 2a","129","","","","- O Sn -","- O Sn -","- O2 Sn2 -","2","0.125","","Guo, Y. Q.; Tan, R. Q.; Li, X.; Zhao, J. H.; Luo, Z. L.; Gao, C.; Song, W. J.","Shape-controlled growth and single-crystal XRD study of submillimeter-sized single crystals of SnO","CrystEngComm","2011","13","19","5677","","10.1039/c0ce00949k","","","0.71073","MoKα","","0.0449","0.0449","","","0.0966","0.0966","","","","","","1.407","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206473","8.0956","0.0002","9.4197","0.0002","24.9028","0.0006","100.218","0.0019","94.2642","0.0018","94.0046","0.0018","1857.07","0.08","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H36 Cu6 I9 N3 -","- C12 H36 Cu6 I9 N3 -","- C24 H72 Cu12 I18 N6 -","2","1","","Jalilian, Ehsan; Lidin, Sven","Size matters—sometimes. The [CuxIy](y−x)−(NR4)+(y−x) systems","CrystEngComm","2011","13","19","5730","","10.1039/c1ce05118k","","","0.71069","MoKα","","0.0561","0.0465","","","0.136","0.1385","","","","2.07","2.07","1.94","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206474","17.7014","0.0004","11.4494","0.0003","10.9541","0.0006","90","","90","","90","","2220.07","0.14","100","","100","","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C12 H28 Cu3 I4 N -","- C12 H28 Cu3 I4 N -","- C48 H112 Cu12 I16 N4 -","4","0.5","","Jalilian, Ehsan; Lidin, Sven","Size matters—sometimes. The [CuxIy](y−x)−(NR4)+(y−x) systems","CrystEngComm","2011","13","19","5730","","10.1039/c1ce05118k","","","0.71069","MoKα","","0.0789","0.0388","","","0.0819","0.0946","","","","1.08","1.08","1.01","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206475","24.8265","0.0004","24.8265","0.0004","55.983","0.008","90","","102.811","","90","","33646","5","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C217.5 Cu26 I40 N14 -","- C217.5 Cu26 I40 N14 -","- C870 Cu104 I160 N56 -","4","1","","Jalilian, Ehsan; Lidin, Sven","Size matters—sometimes. The [CuxIy](y−x)−(NR4)+(y−x) systems","CrystEngComm","2011","13","19","5730","","10.1039/c1ce05118k","","","0.71069","MoKα","","0.1254","0.0913","","","0.0947","0.0963","","","","3.16","3.16","2.61","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206476","12.5384","0.0001","24.4794","0.0004","14.7686","0.0002","90","","110.433","0.0015","90","","4247.76","0.1","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C60 H132 Cu6 I9 N3 -","- C60 H132 Cu6 I9 N3 -","- C120 H264 Cu12 I18 N6 -","2","1","","Jalilian, Ehsan; Lidin, Sven","Size matters—sometimes. The [CuxIy](y−x)−(NR4)+(y−x) systems","CrystEngComm","2011","13","19","5730","","10.1039/c1ce05118k","","","0.71069","MoKα","","0.0324","0.0324","","","0.0641","0.0649","","","","0.74","0.74","0.74","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206477","19.5502","0.0003","18.6851","0.0003","28.3015","0.0006","90","","91.4321","0.0015","90","","10335.2","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C144 H312 Cu17 I23 N6 -","- C80 Cu17 I23 N6 -","- C160 Cu34 I46 N12 -","2","0.5","","Jalilian, Ehsan; Lidin, Sven","Size matters—sometimes. The [CuxIy](y−x)−(NR4)+(y−x) systems","CrystEngComm","2011","13","19","5730","","10.1039/c1ce05118k","","","0.71069","MoKα","","0.2161","0.0881","","","0.1992","0.2155","","","","2.88","2.88","1.81","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206478","11.7445","0.0006","20.9082","0.001","29.5195","0.0019","90","","97.908","0.005","90","","7179.8","0.7","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56.744 H92.435 Cu4 I6 N2 -","- C56 H90 Cu4 I6 N2 -","- C224 H360 Cu16 I24 N8 -","4","1","","Jalilian, Ehsan; Lidin, Sven","Size matters—sometimes. The [CuxIy](y−x)−(NR4)+(y−x) systems","CrystEngComm","2011","13","19","5730","","10.1039/c1ce05118k","","","0.71069","MoKα","","0.3622","0.0585","","","0.1071","0.2141","","","","1.02","1.02","0.81","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206479","14.1659","0.0004","15.115","0.0004","15.5887","0.0004","73.08","0.001","64.458","0.001","88.402","0.002","2862.77","0.14","180","","180","","","","","","","","","8","P -1","-P 1","2","","","","- C102 H114 K3 Mo N20 Ni4 O16 S6 -","- C102 H114 K3 Mo N20 Ni4 O16 S6 -","- C102 H114 K3 Mo N20 Ni4 O16 S6 -","1","0.5","","Mousavi, Maliheh; Béreau, Virginie; Costes, Jean-Pierre; Duhayon, Carine; Sutter, Jean-Pascal","Oligomeric and polymeric organizations of potassium salts with compartmental Schiff-base complexes as ligands","CrystEngComm","2011","13","19","5908","","10.1039/c1ce05127j","","","0.71073","MoKα","","0.0597","0.0387","","0.0809","0.0403","0.0386","","","","","","1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206480","23.3664","0.0008","37.452","0.002","12.1573","0.0008","90","","105.626","0.006","90","","10245.9","1","180","","180","","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","","- C85 H108 K2 Mo N17 Ni3 O14 S6 -","- C85 H104 K2 Mo N17 Ni3 O14 S6 -","- C340 H416 K8 Mo4 N68 Ni12 O56 S24 -","4","0.5","","Mousavi, Maliheh; Béreau, Virginie; Costes, Jean-Pierre; Duhayon, Carine; Sutter, Jean-Pascal","Oligomeric and polymeric organizations of potassium salts with compartmental Schiff-base complexes as ligands","CrystEngComm","2011","13","19","5908","","10.1039/c1ce05127j","","","0.71073","MoKα","","0.1509","0.062","","0.1563","0.0641","0.0653","","","","","","1.0872","","","","has coordinates","288252","2023-12-12","14:26:25",""
"7206481","23.4893","0.0011","33.2913","0.0015","15.1039","0.0006","90","","116.265","0.002","90","","10591.7","0.8","180","","180","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C98 H116 Mo N15 Na2 Ni4 O16 S6 -","- C98 H116 Mo N15 Na2 Ni4 O16 S6 -","- C392 H464 Mo4 N60 Na8 Ni16 O64 S24 -","4","0.5","","Mousavi, Maliheh; Béreau, Virginie; Costes, Jean-Pierre; Duhayon, Carine; Sutter, Jean-Pascal","Oligomeric and polymeric organizations of potassium salts with compartmental Schiff-base complexes as ligands","CrystEngComm","2011","13","19","5908","","10.1039/c1ce05127j","","","0.71073","MoKα","","0.0766","0.04","","0.083","0.0414","0.0392","","","","","","1.0906","","","","has coordinates","288252","2023-12-12","14:26:25",""
"7206482","7.403","0.0005","16.486","0.001","18.0343","0.0011","90","","90","","90","","2201","0.2","180","","180","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C22 H24 Cu K N3 O4 S -","- C22 H24 Cu K N3 O4 S -","- C88 H96 Cu4 K4 N12 O16 S4 -","4","0.5","","Mousavi, Maliheh; Béreau, Virginie; Costes, Jean-Pierre; Duhayon, Carine; Sutter, Jean-Pascal","Oligomeric and polymeric organizations of potassium salts with compartmental Schiff-base complexes as ligands","CrystEngComm","2011","13","19","5908","","10.1039/c1ce05127j","","","0.71073","MoKα","","0.045","0.0317","","0.0459","0.0385","0.0373","","","","","","1.0364","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206483","18.19","0.009","18.19","0.009","11.78","0.005","90","","90","","120","","3376","3","110","","110","","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C40 H47 K N4 Ni2 O10 -","- C40 H44 K N4 Ni2 O10 -","- C120 H132 K3 N12 Ni6 O30 -","3","0.5","","Mousavi, Maliheh; Béreau, Virginie; Costes, Jean-Pierre; Duhayon, Carine; Sutter, Jean-Pascal","Oligomeric and polymeric organizations of potassium salts with compartmental Schiff-base complexes as ligands","CrystEngComm","2011","13","19","5908","","10.1039/c1ce05127j","","","0.71073","MoKα","","0.1189","0.0862","","0.1274","0.0892","0.0859","","","","","","1.0524","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206484","19.772","0.004","9.997","0.002","23.51","0.005","90","","105.5","0.03","90","","4478","1.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H25 Cd N6 O6 -","- C21 H25 Cd N6 O6 -","- C168 H200 Cd8 N48 O48 -","8","1","","Mu, Yajuan; Han, Gang; Ji, Shuying; Hou, Hongwei; Fan, Yaoting","Coordination polymers based on a flexible bis(triazole) ligand and aromatic polycarboxylate anions: syntheses, topological structures and photoluminescent properties","CrystEngComm","2011","13","19","5943","","10.1039/c1ce05129f","","","0.71073","MoKα","","0.0458","0.0402","","","0.1111","0.115","","","","","","1.171","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206485","10.233","0.002","14.009","0.003","14.022","0.003","67.35","0.03","84.67","0.03","71.07","0.03","1753.6","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H38 Cd N9 O8 -","- C33 H38 Cd N9 O8 -","- C66 H76 Cd2 N18 O16 -","2","1","","Mu, Yajuan; Han, Gang; Ji, Shuying; Hou, Hongwei; Fan, Yaoting","Coordination polymers based on a flexible bis(triazole) ligand and aromatic polycarboxylate anions: syntheses, topological structures and photoluminescent properties","CrystEngComm","2011","13","19","5943","","10.1039/c1ce05129f","","","0.71073","MoKα","","0.0574","0.0508","","","0.1305","0.1357","","","","","","1.113","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206486","16.654","0.003","14.174","0.003","11.524","0.002","90","","90","","90","","2720.3","0.9","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C25 H28 Co N6 O8 -","- C25 H28 Co N6 O8 -","- C100 H112 Co4 N24 O32 -","4","0.5","","Mu, Yajuan; Han, Gang; Ji, Shuying; Hou, Hongwei; Fan, Yaoting","Coordination polymers based on a flexible bis(triazole) ligand and aromatic polycarboxylate anions: syntheses, topological structures and photoluminescent properties","CrystEngComm","2011","13","19","5943","","10.1039/c1ce05129f","","","0.71073","MoKα","","0.0575","0.0545","","","0.112","0.1136","","","","","","1.218","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206487","4.9675","0.001","9.4623","0.0019","11.725","0.002","89.81","0.03","89.29","0.03","79.03","0.03","541.01","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 Co N6 O4 -","- C24 H24 Co N6 O4 -","- C24 H24 Co N6 O4 -","1","0.5","","Mu, Yajuan; Han, Gang; Ji, Shuying; Hou, Hongwei; Fan, Yaoting","Coordination polymers based on a flexible bis(triazole) ligand and aromatic polycarboxylate anions: syntheses, topological structures and photoluminescent properties","CrystEngComm","2011","13","19","5943","","10.1039/c1ce05129f","","","0.71073","MoKα","","0.0757","0.0721","","","0.2002","0.2034","","","","","","1.182","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206488","4.4497","0.0009","8.131","0.0016","21.526","0.005","90","","101.42","0.03","90","","763.4","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 N6 -","- C16 H20 N6 -","- C32 H40 N12 -","2","0.5","","Mu, Yajuan; Han, Gang; Ji, Shuying; Hou, Hongwei; Fan, Yaoting","Coordination polymers based on a flexible bis(triazole) ligand and aromatic polycarboxylate anions: syntheses, topological structures and photoluminescent properties","CrystEngComm","2011","13","19","5943","","10.1039/c1ce05129f","","","0.71073","MoKα","","0.0896","0.0738","","","0.2176","0.2396","","","","","","1.19","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206489","19.7268","0.0004","8.3772","0.0002","10.1372","0.0002","90","","98.644","0.002","90","","1656.2","0.06","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(N'-(cyclopentylidene)isonicotinohydrazide) .(3-hydroxybenzoic acid)","","- C18 H19 N3 O4 -","- C18 H19 N3 O4 -","- C72 H76 N12 O16 -","4","1","","Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker","Covalent assistance in supramolecular synthesis: in situ modification and masking of the hydrogen bonding functionality of the supramolecular reagent isoniazid in co-crystals","CrystEngComm","2011","13","19","5692","","10.1039/c1ce05152k","","","0.71073","MoKα","","0.0455","0.0333","","","0.0834","0.0855","","","","","","0.975","","","","has coordinates,has disorder","180395","2020-10-21","18:00:00",""
"7206490","21.3902","0.0015","7.8621","0.0005","11.2995","0.0007","90","","97.986","0.003","90","","1881.8","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(N'-(cyclooctylidene)isonicotinohydrazide) . (3-hydroxybenzoic acid)","","- C21 H25 N3 O4 -","- C21 H25 N3 O4 -","- C84 H100 N12 O16 -","4","1","","Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker","Covalent assistance in supramolecular synthesis: in situ modification and masking of the hydrogen bonding functionality of the supramolecular reagent isoniazid in co-crystals","CrystEngComm","2011","13","19","5692","","10.1039/c1ce05152k","","","1.5418","CuKα","","0.0506","0.0459","","","0.1286","0.1329","","","","","","1.048","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206491","24.467","0.0016","7.3712","0.0005","10.8211","0.0006","90","","99.666","0.006","90","","1923.9","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(N'-(1-p-tolylethylidene)isonicotinohydrazide) . (3-hydroxybenzoic acid)","","- C22 H21 N3 O4 -","- C22 H21 N3 O4 -","- C88 H84 N12 O16 -","4","1","","Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker","Covalent assistance in supramolecular synthesis: in situ modification and masking of the hydrogen bonding functionality of the supramolecular reagent isoniazid in co-crystals","CrystEngComm","2011","13","19","5692","","10.1039/c1ce05152k","","","1.5418","CuKα","","0.0583","0.0527","","","0.1515","0.1631","","","","","","0.722","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206492","9.8338","0.0009","10.2475","0.0009","10.8863","0.001","104.295","0.008","112.784","0.008","103.37","0.008","912.17","0.18","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","bis(N'-(diphenylmethylene)isonicotinohydrazide) . (3-hydroxybenzoic acid)","","- C45 H36 N6 O5 -","- C45 H36 N6 O5 -","- C45 H36 N6 O5 -","1","0.5","","Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker","Covalent assistance in supramolecular synthesis: in situ modification and masking of the hydrogen bonding functionality of the supramolecular reagent isoniazid in co-crystals","CrystEngComm","2011","13","19","5692","","10.1039/c1ce05152k","","","1.5418","CuKα","","0.0616","0.0568","","","0.1575","0.1618","","","","","","1.044","","","","has coordinates,has disorder","180395","2020-10-21","18:00:00",""
"7206493","6.3511","0.0006","10.5853","0.0008","12.8026","0.0012","75.694","0.007","78.613","0.008","81.087","0.007","812.47","0.13","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","(N'-(propan-2-ylidene)isonicotinohydrazide) . (3-hydroxybenzoic acid) . (H2O)","","- C16 H19 N3 O5 -","- C16 H19 N3 O5 -","- C32 H38 N6 O10 -","2","1","","Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker","Covalent assistance in supramolecular synthesis: in situ modification and masking of the hydrogen bonding functionality of the supramolecular reagent isoniazid in co-crystals","CrystEngComm","2011","13","19","5692","","10.1039/c1ce05152k","","","0.71073","MoKα","","0.0584","0.0335","","","0.0703","0.0741","","","","","","0.832","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206494","6.3699","0.0002","10.9498","0.0003","12.812","0.0003","81.009","0.001","80.566","0.001","83.859","0.001","867.67","0.04","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","(N'-(butan-2-ylidene)isonicotinohydrazide) . (3-hydroxybenzoic acid) . (H2O)","","- C17 H21 N3 O5 -","- C17 H21 N3 O5 -","- C34 H42 N6 O10 -","2","1","","Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker","Covalent assistance in supramolecular synthesis: in situ modification and masking of the hydrogen bonding functionality of the supramolecular reagent isoniazid in co-crystals","CrystEngComm","2011","13","19","5692","","10.1039/c1ce05152k","","","0.71073","MoKα","","0.0498","0.0408","","","0.1075","0.1144","","","","","","1.059","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206495","6.3632","0.0006","10.8918","0.001","13.3842","0.0012","87.434","0.007","80.241","0.008","83.083","0.008","907.26","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(N'-(cyclohexylidene)isonicotinohydrazide) . (3-hydroxybenzoic acid) . (H2O)","","- C19 H23 N3 O5 -","- C19 H23 N3 O5 -","- C38 H46 N6 O10 -","2","1","","Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker","Covalent assistance in supramolecular synthesis: in situ modification and masking of the hydrogen bonding functionality of the supramolecular reagent isoniazid in co-crystals","CrystEngComm","2011","13","19","5692","","10.1039/c1ce05152k","","","1.5418","CuKα","","0.0557","0.0487","","","0.1289","0.1338","","","","","","1.002","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206496","6.3127","0.0004","11.4293","0.0006","26.1598","0.0015","90","","91.109","0.005","90","","1887.07","0.19","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(N'-(cycloheptylidene)isonicotinohydrazide) . (3-hydroxybenzoic acid) . (H2O)","","- C20 H25 N3 O5 -","- C20 H25 N3 O5 -","- C80 H100 N12 O20 -","4","1","","Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker","Covalent assistance in supramolecular synthesis: in situ modification and masking of the hydrogen bonding functionality of the supramolecular reagent isoniazid in co-crystals","CrystEngComm","2011","13","19","5692","","10.1039/c1ce05152k","","","1.5418","CuKα","","0.0515","0.0453","","","0.1217","0.1257","","","","","","0.984","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206497","6.1506","0.0005","10.5426","0.0006","16.2041","0.0012","73.603","0.006","90.403","0.006","79.32","0.006","988.57","0.13","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","(N'-(4-methylbenzylidene)isonicotinohydrazide) . (3-hydroxybenzoic acid) . (H2O)","","- C21 H21 N3 O5 -","- C21 H21 N3 O5 -","- C42 H42 N6 O10 -","2","1","","Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker","Covalent assistance in supramolecular synthesis: in situ modification and masking of the hydrogen bonding functionality of the supramolecular reagent isoniazid in co-crystals","CrystEngComm","2011","13","19","5692","","10.1039/c1ce05152k","","","1.5418","CuKα","","0.0583","0.0501","","","0.137","0.143","","","","","","1.016","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206498","21.9371","0.0008","21.9371","0.0008","21.9371","0.0008","90","","90","","90","","10556.9","0.7","293","2","293","2","","","","","","","","7","P n -3 n :2","-P 4a 2bc 3","222","","","","- C36 H40 Mn2 N6 Na O22.5 S6 -","- C36 H18 Mn2 N6 Na O22.5 S6 -","- C288 H144 Mn16 N48 Na8 O180 S48 -","8","0.166667","","Yuan, Ning; Sheng, Tianlu; Zhang, Jian; Tian, Chongbin; Hu, Shengmin; Huang, Xihe; Wang, Fei; Wu, Xintao","A disulfide ligand with axial chirality generated in situ for the construction of an unusual hxg topological coordination polymer","CrystEngComm","2011","13","19","5951","","10.1039/c1ce05154g","","","0.71073","MoKα","","0.079","0.076","","","0.2489","0.2551","","","","","","1.05","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7206499","7.0908","0.0005","10.8703","0.0008","26.4114","0.0017","90","","97.608","0.001","90","","2017.8","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 N2 O7 Pb S -","- C20 H12 N2 O7 Pb S -","- C80 H48 N8 O28 Pb4 S4 -","4","1","","Ren, Yi-Xia; Zheng, Xiang-Jun; Jin, Lin-Pei","Structural analyses and luminescent properties of a series of lead(ii) metal‒organic frameworks based on 2-sulfoterephthalate","CrystEngComm","2011","13","19","5915","","10.1039/c1ce05303e","","","0.71073","MoKα","","0.0491","0.0315","","","0.0583","0.0646","","","","","","0.99","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206500","7.316","0.0014","10.8418","0.0014","12.355","0.003","80.397","0.003","87.938","0.002","83.928","0.002","960.7","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H16 N2 O9 Pb S -","- C18 H16 N2 O9 Pb S -","- C36 H32 N4 O18 Pb2 S2 -","2","1","","Ren, Yi-Xia; Zheng, Xiang-Jun; Jin, Lin-Pei","Structural analyses and luminescent properties of a series of lead(ii) metal‒organic frameworks based on 2-sulfoterephthalate","CrystEngComm","2011","13","19","5915","","10.1039/c1ce05303e","","","0.71073","MoKα","","0.0455","0.0375","","","0.0774","0.0819","","","","","","1.04","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206501","19.2816","0.0015","6.9457","0.0006","14.1263","0.0012","90","","100.807","0.002","90","","1858.3","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 N2 O8 Pb S -","- C18 H14 N2 O8 Pb S -","- C72 H56 N8 O32 Pb4 S4 -","4","1","","Ren, Yi-Xia; Zheng, Xiang-Jun; Jin, Lin-Pei","Structural analyses and luminescent properties of a series of lead(ii) metal‒organic frameworks based on 2-sulfoterephthalate","CrystEngComm","2011","13","19","5915","","10.1039/c1ce05303e","","","0.71073","MoKα","","0.065","0.0412","","","0.072","0.0795","","","","","","0.975","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206502","11.9149","0.0014","7.2161","0.0008","12.6352","0.0014","90","","103.615","0.002","90","","1055.8","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 O8 Pb S -","- C8 H6 O8 Pb S -","- C32 H24 O32 Pb4 S4 -","4","1","","Ren, Yi-Xia; Zheng, Xiang-Jun; Jin, Lin-Pei","Structural analyses and luminescent properties of a series of lead(ii) metal‒organic frameworks based on 2-sulfoterephthalate","CrystEngComm","2011","13","19","5915","","10.1039/c1ce05303e","","","0.71073","MoKα","","0.0461","0.0299","","","0.0589","0.0648","","","","","","0.966","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206503","6.9683","0.0012","7.5316","0.0012","30.887","0.005","85.113","0.003","84.509","0.003","63.01","0.002","1436.2","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H16 N2 O15 Pb3 S2 -","- C26 H16 N2 O15 Pb3 S2 -","- C52 H32 N4 O30 Pb6 S4 -","2","1","","Ren, Yi-Xia; Zheng, Xiang-Jun; Jin, Lin-Pei","Structural analyses and luminescent properties of a series of lead(ii) metal‒organic frameworks based on 2-sulfoterephthalate","CrystEngComm","2011","13","19","5915","","10.1039/c1ce05303e","","","0.71073","MoKα","","0.0679","0.0526","","","0.124","0.1341","","","","","","0.997","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206504","7.3119","0.0008","22.365","0.003","7.5899","0.0008","90","","111.923","0.002","90","","1151.4","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H4 O8 Pb2 S -","- C8 H4 O8 Pb2 S -","- C32 H16 O32 Pb8 S4 -","4","1","","Ren, Yi-Xia; Zheng, Xiang-Jun; Jin, Lin-Pei","Structural analyses and luminescent properties of a series of lead(ii) metal‒organic frameworks based on 2-sulfoterephthalate","CrystEngComm","2011","13","19","5915","","10.1039/c1ce05303e","","","0.71073","MoKα","","0.0632","0.0422","","","0.0875","0.0984","","","","","","0.991","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206505","16.955","0.001","8.2338","0.0006","13.63","0.001","90","","108.551","0.007","90","","1803.9","0.2","296","","296","","","","","","","","see text","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 Co N6 O2 S2 -","- C14 H12 Co N6 O2 S2 -","- C56 H48 Co4 N24 O8 S8 -","4","0.5","","Đaković, Marijana; Vila-Viçosa, Diogo; Calhorda, Maria José; Popović, Zora","Coordination-driven self-assembly of thiocyanate complexes of Co(ii), Ni(ii) and Cu(ii) with picolinamide: a structural and DFT study","CrystEngComm","2011","13","19","5863","","10.1039/c1ce05332a","","x-ray","0.71073","MoKα","","0.0473","0.0293","","","0.0761","0.0856","","","","","","1.041","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206506","6.5705","0.0006","7.353","0.0007","9.6541","0.0008","96.773","0.007","92.797","0.007","109.334","0.008","435.12","0.07","296","","296","","","","","","","","see text","6","P -1","-P 1","2","","","","- C14 H12 Cu N6 O2 S2 -","- C14 H12 Cu N6 O2 S2 -","- C14 H12 Cu N6 O2 S2 -","1","0.5","","Đaković, Marijana; Vila-Viçosa, Diogo; Calhorda, Maria José; Popović, Zora","Coordination-driven self-assembly of thiocyanate complexes of Co(ii), Ni(ii) and Cu(ii) with picolinamide: a structural and DFT study","CrystEngComm","2011","13","19","5863","","10.1039/c1ce05332a","","x-ray","0.71073","MoKα","","0.0287","0.0252","","","0.071","0.075","","","","","","1.055","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206507","16.9021","0.0003","8.2084","0.0002","13.5353","0.0003","90","","108.613","0.002","90","","1779.66","0.07","296","","296","","","","","","","","see text","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 N6 Ni O2 S2 -","- C14 H12 N6 Ni O2 S2 -","- C56 H48 N24 Ni4 O8 S8 -","4","0.5","","Đaković, Marijana; Vila-Viçosa, Diogo; Calhorda, Maria José; Popović, Zora","Coordination-driven self-assembly of thiocyanate complexes of Co(ii), Ni(ii) and Cu(ii) with picolinamide: a structural and DFT study","CrystEngComm","2011","13","19","5863","","10.1039/c1ce05332a","","x-ray","0.71073","MoKα","","0.0554","0.034","","","0.0648","0.0749","","","","","","1.054","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206508","12.735","0.003","20.53","0.004","18.882","0.004","90","","90","","90","","4936.7","1.8","193","2","193","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C42 H58 F18 N5 O4 P3 -","- C42 H58 F18 N5 O4 P3 -","- C168 H232 F72 N20 O16 P12 -","4","1","","Liu, Lei-Lei; Ren, Zhi-Gang; Wan, Li-Min; Ding, Hong-Ye; Lang, Jian-Ping","Inclusion of unique four-clawed crown-like nitrate‒water cluster [(NO3)6(H2O)6]6− anions into the inter-spaces of a 3D H‒bonded cationic net formed by a cationic calix[4]arene","CrystEngComm","2011","13","19","5718","","10.1039/c1ce05377a","","","0.71073","MoKα","","0.1001","0.0843","","","0.1944","0.208","","","","","","1.1","","","","has coordinates,has disorder","180396","2020-10-21","18:00:00",""
"7206509","13.498","0.003","13.84","0.003","13.99","0.003","92.13","0.03","105.5","0.03","101.33","0.03","2458.2","1.1","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H67 N9 O16 -","- C44 H67 N9 O16 -","- C88 H134 N18 O32 -","2","1","","Liu, Lei-Lei; Ren, Zhi-Gang; Wan, Li-Min; Ding, Hong-Ye; Lang, Jian-Ping","Inclusion of unique four-clawed crown-like nitrate‒water cluster [(NO3)6(H2O)6]6− anions into the inter-spaces of a 3D H‒bonded cationic net formed by a cationic calix[4]arene","CrystEngComm","2011","13","19","5718","","10.1039/c1ce05377a","","","0.71073","MoKα","","0.1181","0.0716","","","0.1772","0.2045","","","","","","1.061","","","","has coordinates,has disorder","180396","2020-10-21","18:00:00",""
"7206510","10.4135","0.0005","25.2037","0.0013","19.5818","0.0011","90","","90","","90","","5139.4","0.5","293","2","293","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C36 H64 Cu N10 O26 -","- C36 H62 Cu N10 O26 -","- C144 H248 Cu4 N40 O104 -","4","0.25","","Xia, Yana; Li, Shaoguang; Wu, Biao; Liu, Yanyan; Yang, Xiao-Juan","Coordination polymers and metallomacrocycles based on bis(pyridylcarbamate) ligands with flexible glycol spacers","CrystEngComm","2011","13","19","5763","","10.1039/c1ce05392b","","","0.71073","MoKα","","0.0495","0.0372","","","0.0954","0.1028","","","","","","1.079","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206511","15.84","0.02","24.75","0.02","7.724","0.008","90","","92.88","0.02","90","","3024","6","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C32 H42 Cl4 N8 O13 Zn2 -","- C32 H40 Cl4 N8 O13 Zn2 -","- C64 H80 Cl8 N16 O26 Zn4 -","2","0.25","","Xia, Yana; Li, Shaoguang; Wu, Biao; Liu, Yanyan; Yang, Xiao-Juan","Coordination polymers and metallomacrocycles based on bis(pyridylcarbamate) ligands with flexible glycol spacers","CrystEngComm","2011","13","19","5763","","10.1039/c1ce05392b","","","0.71073","MoKα","","0.0507","0.041","","","0.1282","0.1357","","","","","","0.809","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206512","7.8072","0.0018","10.931","0.003","13.796","0.003","78.771","0.004","78.627","0.003","87.263","0.004","1132.1","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H37 Br4 N8 O10.5 Zn2 -","- C32 H37 Br4 N8 O10.5 Zn2 -","- C32 H37 Br4 N8 O10.5 Zn2 -","1","0.5","","Xia, Yana; Li, Shaoguang; Wu, Biao; Liu, Yanyan; Yang, Xiao-Juan","Coordination polymers and metallomacrocycles based on bis(pyridylcarbamate) ligands with flexible glycol spacers","CrystEngComm","2011","13","19","5763","","10.1039/c1ce05392b","","","0.71073","MoKα","","0.0516","0.0351","","","0.0847","0.0905","","","","","","1.089","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206513","5.1577","0.0012","21.085","0.005","21.538","0.005","90","","95.032","0.004","90","","2333.2","0.9","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H44 Br4 N8 O12 Zn2 -","- C36 H44 Br4 N8 O12 Zn2 -","- C72 H88 Br8 N16 O24 Zn4 -","2","0.5","","Xia, Yana; Li, Shaoguang; Wu, Biao; Liu, Yanyan; Yang, Xiao-Juan","Coordination polymers and metallomacrocycles based on bis(pyridylcarbamate) ligands with flexible glycol spacers","CrystEngComm","2011","13","19","5763","","10.1039/c1ce05392b","","","0.71073","MoKα","","0.0799","0.0444","","","0.0978","0.1054","","","","","","0.89","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206514","18.484","0.005","11.438","0.003","9.597","0.003","90","","90","","90","","2029","1","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C15 H16 Br2 N4 O4 Zn -","- C15 H16 Br2 N4 O4 Zn -","- C60 H64 Br8 N16 O16 Zn4 -","4","1","","Xia, Yana; Li, Shaoguang; Wu, Biao; Liu, Yanyan; Yang, Xiao-Juan","Coordination polymers and metallomacrocycles based on bis(pyridylcarbamate) ligands with flexible glycol spacers","CrystEngComm","2011","13","19","5763","","10.1039/c1ce05392b","","","0.71073","MoKα","","0.1074","0.0595","","","0.1367","0.1605","","","","","","1.003","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206515","12.136","0.01","10.495","0.008","16.018","0.013","90","","98.568","0.009","90","","2017","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H18 Br2 N4 O4 Zn -","- C16 H18 Br2 N4 O4 Zn -","- C64 H72 Br8 N16 O16 Zn4 -","4","0.5","","Xia, Yana; Li, Shaoguang; Wu, Biao; Liu, Yanyan; Yang, Xiao-Juan","Coordination polymers and metallomacrocycles based on bis(pyridylcarbamate) ligands with flexible glycol spacers","CrystEngComm","2011","13","19","5763","","10.1039/c1ce05392b","","","0.71073","MoKα","","0.0477","0.0325","","","0.081","0.0866","","","","","","1.042","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206516","14.0471","0.0012","5.3712","0.0004","8.5718","0.0008","90","","106.483","0.003","90","","620.16","0.09","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-hydroxybenzylalcohol","","- C7 H8 O2 -","- C7 H8 O2 -","- C28 H32 O8 -","4","1","","Lemmerer, Andreas; Esterhuysen, Catharine","OHphenol⋯OHalcohol hydrogen-bonding as the preferred hydrogen-bonded interaction in the crystal structures of three isomers of methylolphenol: analysis of hydrogen-bonding interactions in phenol and alcohol containing molecules","CrystEngComm","2011","13","19","5773","","10.1039/c1ce05442b","","","0.71073","MoKα","","0.0679","0.0383","","","0.0772","0.0865","","","","","","0.917","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206517","8.1989","0.0012","11.5438","0.0018","14.516","0.002","113.323","0.005","90","","90","","1261.6","0.3","293","2","293","2","","","","","","","","3","P 21/b 1 1","-P 2xab","14","3-hydroxybenzylalcohol Form I","3-hydroxybenzylalcohol Form I","","- C7 H8 O2 -","- C7 H8 O2 -","- C56 H64 O16 -","8","2","","Lemmerer, Andreas; Esterhuysen, Catharine","OHphenol⋯OHalcohol hydrogen-bonding as the preferred hydrogen-bonded interaction in the crystal structures of three isomers of methylolphenol: analysis of hydrogen-bonding interactions in phenol and alcohol containing molecules","CrystEngComm","2011","13","19","5773","","10.1039/c1ce05442b","","","0.71073","MoKα","","0.1159","0.0504","","","0.1037","0.1215","","","","","","0.957","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206518","8.1867","0.0011","17.19","0.002","13.7935","0.0018","90","","101.432","0.002","90","","1902.6","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-hydroxybenzylalcohol Z' = 3","","- C7 H8 O2 -","- C7 H8 O2 -","- C84 H96 O24 -","12","3","","Lemmerer, Andreas; Esterhuysen, Catharine","OHphenol⋯OHalcohol hydrogen-bonding as the preferred hydrogen-bonded interaction in the crystal structures of three isomers of methylolphenol: analysis of hydrogen-bonding interactions in phenol and alcohol containing molecules","CrystEngComm","2011","13","19","5773","","10.1039/c1ce05442b","","","0.71073","MoKα","","0.0614","0.0382","","","0.0963","0.1113","","","","","","1.002","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206519","9.448","0.007","10.894","0.008","5.873","0.004","90","","90","","90","","604.5","0.8","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","4-hydroxybenzylalcohol","","- C7 H8 O2 -","- C7 H8 O2 -","- C28 H32 O8 -","4","1","","Lemmerer, Andreas; Esterhuysen, Catharine","OHphenol⋯OHalcohol hydrogen-bonding as the preferred hydrogen-bonded interaction in the crystal structures of three isomers of methylolphenol: analysis of hydrogen-bonding interactions in phenol and alcohol containing molecules","CrystEngComm","2011","13","19","5773","","10.1039/c1ce05442b","","","0.71073","MoKα","","0.062","0.0443","","","0.118","0.13","","","","","","1.048","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206520","10.434","0.0003","6.7029","0.0002","20.4814","0.0006","90","","103.747","0.002","90","","1391.4","0.07","120","2","120","2","","","","","","","Jose Giner Planas","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H17 B10 N O -","- C8 H17 B10 N O -","- C32 H68 B40 N4 O4 -","4","1","","Di Salvo, Florencia; Camargo, Beatriz; García, Yolanda; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Light, Mark E.; Hursthouse, Michael B.","Supramolecular architectures in o-carboranyl alcohols bearing N-aromatic rings: syntheses, crystal structures and melting points correlation","CrystEngComm","2011","13","19","5788","","10.1039/c1ce05449j","","","0.71073","MoKα","","0.0873","0.0645","","","0.1711","0.1867","","","","","","1.062","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7206521","13.0921","0.0003","8.7487","0.0002","13.6578","0.0004","90","","118.265","0.001","90","","1377.83","0.06","120","2","120","2","","","","","","","Jose Giner Planas","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H17 B10 N O -","- C8 H17 B10 N O -","- C32 H68 B40 N4 O4 -","4","1","","Di Salvo, Florencia; Camargo, Beatriz; García, Yolanda; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Light, Mark E.; Hursthouse, Michael B.","Supramolecular architectures in o-carboranyl alcohols bearing N-aromatic rings: syntheses, crystal structures and melting points correlation","CrystEngComm","2011","13","19","5788","","10.1039/c1ce05449j","","","0.71073","MoKα","","0.1128","0.0863","","","0.1776","0.1924","","","","","","1.099","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206522","9.7297","0.0002","12.8208","0.0002","11.5304","0.0002","90","","104.902","0.001","90","","1389.96","0.04","120","2","120","2","","","","","","","Jose Giner Planas","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H17 B10 N O -","- C8 H17 B10 N O -","- C32 H68 B40 N4 O4 -","4","1","","Di Salvo, Florencia; Camargo, Beatriz; García, Yolanda; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Light, Mark E.; Hursthouse, Michael B.","Supramolecular architectures in o-carboranyl alcohols bearing N-aromatic rings: syntheses, crystal structures and melting points correlation","CrystEngComm","2011","13","19","5788","","10.1039/c1ce05449j","","","0.71073","MoKα","","0.0718","0.0596","","","0.1398","0.1476","","","","","","1.063","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206523","7.2182","0.0002","19.7365","0.0004","11.3467","0.0003","90","","90.404","0.001","90","","1616.43","0.07","120","2","120","2","","","","","","","Jose Giner Planas","5","P 1 21 1","P 2yb","4","","","","- C12 H19 B10 N O -","- C12 H19 B10 N O -","- C48 H76 B40 N4 O4 -","4","2","","Di Salvo, Florencia; Camargo, Beatriz; García, Yolanda; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Light, Mark E.; Hursthouse, Michael B.","Supramolecular architectures in o-carboranyl alcohols bearing N-aromatic rings: syntheses, crystal structures and melting points correlation","CrystEngComm","2011","13","19","5788","","10.1039/c1ce05449j","","","0.71073","MoKα","","0.0619","0.054","","","0.1172","0.1231","","","","","","1.157","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206524","25.8502","0.0004","9.7968","0.0002","12.8393","0.0002","90","","96.41","0.001","90","","3231.22","0.1","120","2","120","2","","","","","","","Jose Giner Planas","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H19 B10 N O -","- C12 H19 B10 N O -","- C96 H152 B80 N8 O8 -","8","1","","Di Salvo, Florencia; Camargo, Beatriz; García, Yolanda; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Light, Mark E.; Hursthouse, Michael B.","Supramolecular architectures in o-carboranyl alcohols bearing N-aromatic rings: syntheses, crystal structures and melting points correlation","CrystEngComm","2011","13","19","5788","","10.1039/c1ce05449j","","","0.71073","MoKα","","0.0669","0.0553","","","0.1406","0.1516","","","","","","0.998","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206525","9.8268","0.0002","13.4445","0.0004","11.3957","0.0003","90","","105.64","0.002","90","","1449.82","0.07","120","2","120","2","","","","","","","Jose Giner Planas","5","P 1 21/n 1","-P 2yn","14","TPMec018_I","","","- C9 H19 B10 N O -","- C9 H19 B10 N O -","- C36 H76 B40 N4 O4 -","4","1","","Di Salvo, Florencia; Camargo, Beatriz; García, Yolanda; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Light, Mark E.; Hursthouse, Michael B.","Supramolecular architectures in o-carboranyl alcohols bearing N-aromatic rings: syntheses, crystal structures and melting points correlation","CrystEngComm","2011","13","19","5788","","10.1039/c1ce05449j","","","0.71073","MoKα","","0.088","0.064","","","0.1541","0.1729","","","","","","1.057","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7206526","11.6364","0.0016","11.4228","0.0016","13.1428","0.0014","90","","105.666","0.012","90","","1682","0.4","120","2","120","2","","","","","","","Jose Giner Planas","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H21 B10 N O -","- C13 H21 B10 N O -","- C52 H84 B40 N4 O4 -","4","1","","Di Salvo, Florencia; Camargo, Beatriz; García, Yolanda; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Light, Mark E.; Hursthouse, Michael B.","Supramolecular architectures in o-carboranyl alcohols bearing N-aromatic rings: syntheses, crystal structures and melting points correlation","CrystEngComm","2011","13","19","5788","","10.1039/c1ce05449j","","","0.71073","MoKα","","0.1483","0.0989","","","0.2428","0.2752","","","","","","1.063","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206527","10.4622","0.0002","10.4196","0.0003","30.6975","0.0009","90","","90","","90","","3346.39","0.15","120","2","120","2","","","","","","","Jose Giner Planas","5","P b c a","-P 2ac 2ab","61","CQMec020","","","- C13 H21 B10 N O -","- C13 H21 B10 N O -","- C104 H168 B80 N8 O8 -","8","1","","Di Salvo, Florencia; Camargo, Beatriz; García, Yolanda; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Light, Mark E.; Hursthouse, Michael B.","Supramolecular architectures in o-carboranyl alcohols bearing N-aromatic rings: syntheses, crystal structures and melting points correlation","CrystEngComm","2011","13","19","5788","","10.1039/c1ce05449j","","","0.71073","MoKα","","0.1111","0.066","","","0.1585","0.1813","","","","","","1.048","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7206528","21.1947","0.0007","7.1376","0.0002","19.7547","0.0006","90","","92.129","0.002","90","","2986.41","0.16","120","2","120","2","","","","","","","Jose Giner Planas","5","C 1 2/c 1","-C 2yc","15","SPCB022","","","- C9 H19 B10 N O -","- C9 H19 B10 N O -","- C72 H152 B80 N8 O8 -","8","1","","Di Salvo, Florencia; Camargo, Beatriz; García, Yolanda; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Light, Mark E.; Hursthouse, Michael B.","Supramolecular architectures in o-carboranyl alcohols bearing N-aromatic rings: syntheses, crystal structures and melting points correlation","CrystEngComm","2011","13","19","5788","","10.1039/c1ce05449j","","","0.71073","MoKα","","0.0774","0.0583","","","0.1584","0.1715","","","","","","1.062","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7206529","5.441","0.0002","12.226","0.0004","21.705","0.0007","90","","101.04","0.002","90","","1417.13","0.08","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ticlopidine hydrochloride form II","5-[(2-Chlorophenyl)methyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine hydrochloride","","- C14 H15 Cl2 N S -","- C14 H15 Cl2 N S -","- C56 H60 Cl8 N4 S4 -","4","1","","Martins, Felipe T.; deLima, Patrícia V.; Azarias, Lilian C.; de Abreu, Polyana J.; Neves, Person P.; Legendre, Alexandre O.; de Andrade, Fabiano M.; de Oliveira, Guilherme R.; Ellena, Javier; Doriguetto, Antônio C.","Increasing the symmetry of drug crystals: a monoclinic conformational polymorph of the platelet antiaggregating agent ticlopidine hydrochloride","CrystEngComm","2011","13","19","5737","","10.1039/c1ce05453h","","","0.71073","MoKα","","0.0703","0.0533","","","0.1436","0.1624","","","","","","1.109","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206530","10.3604","0.0007","10.3604","0.0007","14.5059","0.001","90","","90","","90","","1557.03","0.18","293","2","293","2","","","","","","","","5","P 43 2 2","P 4cw 2c","95","","","","- C12 H13 Gd N O8.5 -","- C9 H3 Gd O7 -","- C36 H12 Gd4 O28 -","4","0.5","","Xie, Lin-Hua; Wang, Yu; Liu, Xiao-Min; Lin, Jian-Bin; Zhang, Jie-Peng; Chen, Xiao-Ming","Crystallographic studies into the role of exposed rare earth metal ion for guest sorption","CrystEngComm","2011","13","19","5849","","10.1039/c1ce05468f","","","0.71073","MoKα","","0.0319","0.0285","","","0.0641","0.0653","","","","","","1.022","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206531","10.3635","0.0007","10.3635","0.0007","13.8321","0.0018","90","","90","","90","","1485.6","0.2","473","2","473","2","","","","","","","","4","P 41 2 2","P 4w 2c","91","","","","- C9 H3 Gd O6 -","- C9 H3 Gd O6 -","- C36 H12 Gd4 O24 -","4","0.5","","Xie, Lin-Hua; Wang, Yu; Liu, Xiao-Min; Lin, Jian-Bin; Zhang, Jie-Peng; Chen, Xiao-Ming","Crystallographic studies into the role of exposed rare earth metal ion for guest sorption","CrystEngComm","2011","13","19","5849","","10.1039/c1ce05468f","","","0.71073","MoKα","","0.0479","0.0334","","","0.0691","0.0749","","","","","","1.054","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206532","10.3625","0.0007","10.3625","","13.8473","0.0019","90","","90","","90","","1486.9","0.2","473","2","473","2","","","","","","","","4","P 43 2 2","P 4cw 2c","95","","","","- C9 H3 Gd O6 -","- C9 H3 Gd O6 -","- C36 H12 Gd4 O24 -","4","0.5","","Xie, Lin-Hua; Wang, Yu; Liu, Xiao-Min; Lin, Jian-Bin; Zhang, Jie-Peng; Chen, Xiao-Ming","Crystallographic studies into the role of exposed rare earth metal ion for guest sorption","CrystEngComm","2011","13","19","5849","","10.1039/c1ce05468f","","","0.71073","MoKα","","0.0284","0.0224","","","0.0542","0.0575","","","","","","1.008","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206533","10.471","0.0015","10.471","0.0015","14.645","0.004","90","","90","","90","","1605.7","0.5","273","2","273","2","","","","","","","","4","P 41 2 2","P 4w 2c","91","","","","- C9 H15 Gd O12 -","- C9 H3 Gd O12 -","- C36 H12 Gd4 O48 -","4","0.5","","Xie, Lin-Hua; Wang, Yu; Liu, Xiao-Min; Lin, Jian-Bin; Zhang, Jie-Peng; Chen, Xiao-Ming","Crystallographic studies into the role of exposed rare earth metal ion for guest sorption","CrystEngComm","2011","13","19","5849","","10.1039/c1ce05468f","","","0.71073","MoKα","","0.044","0.0356","","","0.0794","0.084","","","","","","0.973","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206534","10.3197","0.0004","10.3197","0.0004","14.0444","0.001","90","","90","","90","","1495.68","0.13","120","2","120","2","","","","","","","","4","P 41","P 4w","76","","","","- C13 H15 Gd O8 -","- C13 H15 Gd O8 -","- C52 H60 Gd4 O32 -","4","1","","Xie, Lin-Hua; Wang, Yu; Liu, Xiao-Min; Lin, Jian-Bin; Zhang, Jie-Peng; Chen, Xiao-Ming","Crystallographic studies into the role of exposed rare earth metal ion for guest sorption","CrystEngComm","2011","13","19","5849","","10.1039/c1ce05468f","","","0.71073","MoKα","","0.0275","0.0256","","","0.0513","0.0519","","","","","","1.026","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206535","10.3008","0.0013","10.3008","0.0013","14.385","0.004","90","","90","","90","","1526.3","0.5","123","2","123","2","","","","","","","","5","P 41 2 2","P 4w 2c","91","","","","- C13 H12 Gd N O7 -","- C13 H12 Gd N O7 -","- C52 H48 Gd4 N4 O28 -","4","0.5","","Xie, Lin-Hua; Wang, Yu; Liu, Xiao-Min; Lin, Jian-Bin; Zhang, Jie-Peng; Chen, Xiao-Ming","Crystallographic studies into the role of exposed rare earth metal ion for guest sorption","CrystEngComm","2011","13","19","5849","","10.1039/c1ce05468f","","","0.71073","MoKα","","0.0357","0.0329","","","0.0784","0.0798","","","","","","1.019","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206536","10.339","0.002","10.339","0.002","14.057","0.006","90","","90","","90","","1502.6","0.8","150","2","150","2","","","","","","","","4","P 43","P 4cw","78","","","","- C13 H15 Gd O8 -","- C13 H15 Gd O8 -","- C52 H60 Gd4 O32 -","4","1","","Xie, Lin-Hua; Wang, Yu; Liu, Xiao-Min; Lin, Jian-Bin; Zhang, Jie-Peng; Chen, Xiao-Ming","Crystallographic studies into the role of exposed rare earth metal ion for guest sorption","CrystEngComm","2011","13","19","5849","","10.1039/c1ce05468f","","","0.71073","MoKα","","0.0279","0.0272","","","0.0632","0.0636","","","","","","1.018","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206537","10.3159","0.0012","10.3159","0.0012","14.45","0.003","90","","90","","90","","1537.7","0.4","150","2","150","2","","","","","","","","5","P 43 2 2","P 4cw 2c","95","","","","- C13 H12 Gd N O7 -","- C13 H12 Gd N O7 -","- C52 H48 Gd4 N4 O28 -","4","0.5","","Xie, Lin-Hua; Wang, Yu; Liu, Xiao-Min; Lin, Jian-Bin; Zhang, Jie-Peng; Chen, Xiao-Ming","Crystallographic studies into the role of exposed rare earth metal ion for guest sorption","CrystEngComm","2011","13","19","5849","","10.1039/c1ce05468f","","","0.71073","MoKα","","0.0344","0.0325","","","0.089","0.0902","","","","","","0.994","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206538","10.3149","0.0014","10.3149","0.0014","14.339","0.004","90","","90","","90","","1525.6","0.5","123","2","123","2","","","","","","","","5","P 41 2 2","P 4w 2c","91","","","","- C13 H12 Gd N O7 -","- C13 H12 Gd N O7 -","- C52 H48 Gd4 N4 O28 -","4","0.5","","Xie, Lin-Hua; Wang, Yu; Liu, Xiao-Min; Lin, Jian-Bin; Zhang, Jie-Peng; Chen, Xiao-Ming","Crystallographic studies into the role of exposed rare earth metal ion for guest sorption","CrystEngComm","2011","13","19","5849","","10.1039/c1ce05468f","","","0.71073","MoKα","","0.0379","0.0352","","","0.0828","0.0847","","","","","","1.068","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206539","5.18289","0.00048","11.194","0.0012","5.43875","0.00053","90","","90","","90","","315.54","0.05","315","","315","","11.75","0.02","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","L-alanine-d7","","- C3 D7 N O2 -","- C3 D7 N O2 -","- C12 D28 N4 O8 -","4","1","","Funnell, Nicholas P.; Marshall, William G.; Parsons, Simon","Alanine at 13.6 GPa and its pressure-induced amorphisation at 15 GPa","CrystEngComm","2011","13","19","5841","","10.1039/c1ce05487b","powder diffraction","neutron","","Neutron","","","","","","","","","","1.32","","","","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206540","5.13617","0.00071","11.1258","0.0019","5.41457","0.00076","90","","90","","90","","309.41","0.08","340","","340","","13.6","0.02","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","L-alanine-d7","","- C3 D7 N O2 -","- C3 D7 N O2 -","- C12 D28 N4 O8 -","4","1","","Funnell, Nicholas P.; Marshall, William G.; Parsons, Simon","Alanine at 13.6 GPa and its pressure-induced amorphisation at 15 GPa","CrystEngComm","2011","13","19","5841","","10.1039/c1ce05487b","powder diffraction","neutron","","Neutron","","","","","","","","","","1.266","","","","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206541","25.783","0.002","11.8912","0.0008","14.6506","0.0011","90","","90","","90","","4491.7","0.6","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","((CH3CH2)4N)3(Ag6Br5.61(CN)3.39)","[(CH3CH2)4N]3[Ag6Br5.61(CN)3.39]","","- C27.39 H60 Ag6 Br5.61 N6.39 -","- C27.3848 H60 Ag6 Br5.6152 N6.3848 -","- C109.539 H240 Ag24 Br22.4608 N25.5392 -","4","0.5","","Lu, Ying-Bing; Cai, Li-Zhen; Zou, Jian-Ping; Liu, Xi; Guo, Guo-Cong; Huang, Jin-Shun","Two novel halogeno(cyano)argentates built by silver halide clusters: molecular structures and luminescent properties","CrystEngComm","2011","13","19","5724","","10.1039/c1ce05497j","","","0.71073","MoKα","","0.0598","0.0477","","","0.1441","0.1531","","","","","","1.05","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"7206542","24.6059","0.0016","24.6059","0.0016","24.6059","0.0016","90","","90","","90","","14897.6","1.7","293","2","293","2","","","","","","","","5","F 4 3 2","F 4 2 3","209","((C3H7)N)3Ag8I7(CN)4","[(C3H7)N]3Ag8I7(CN)4","","- C40 H84 Ag8 I7 N7 -","- C40 H84 Ag8 I7 N7 -","- C320 H672 Ag64 I56 N56 -","8","0.0833333","","Lu, Ying-Bing; Cai, Li-Zhen; Zou, Jian-Ping; Liu, Xi; Guo, Guo-Cong; Huang, Jin-Shun","Two novel halogeno(cyano)argentates built by silver halide clusters: molecular structures and luminescent properties","CrystEngComm","2011","13","19","5724","","10.1039/c1ce05497j","","","0.71073","MoKα","","0.0427","0.0278","","","0.0615","0.0662","","","","","","1.007","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7206543","35.923","0.006","20.557","0.003","16.968","0.003","90","","90","","90","","12530","4","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C39 H27 Fe N6 O6 -","- C39 H27 Fe N6 O6 -","- C468 H324 Fe12 N72 O72 -","12","1.5","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Visconti, Marco","The novel metalloligand [Fe(bppd)3] (bppd = 1,3-bis(4-pyridyl)-1,3-propanedionate) for the crystal engineering of heterometallic coordination networks with different silver salts. Anionic control of the structures","CrystEngComm","2011","13","19","5891","","10.1039/c1ce05520h","","","0.71073","MoKα","","0.1312","0.0989","","0.2938","","0.265","","","1.03","","","","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206544","13.246","0.014","22.9","0.02","17.291","0.018","90","","96.236","0.018","90","","5214","9","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C55 H59 Ag B F4 Fe N6 O10 -","- C55 H59 Ag B F4 Fe N6 O10 -","- C220 H236 Ag4 B4 F16 Fe4 N24 O40 -","4","0.5","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Visconti, Marco","The novel metalloligand [Fe(bppd)3] (bppd = 1,3-bis(4-pyridyl)-1,3-propanedionate) for the crystal engineering of heterometallic coordination networks with different silver salts. Anionic control of the structures","CrystEngComm","2011","13","19","5891","","10.1039/c1ce05520h","","","0.71073","MoKα","","0.2417","0.1194","","0.3881","","0.3169","","","1.05","","","","","","","has coordinates,has disorder","180396","2020-10-21","18:00:00",""
"7206545","13.359","0.003","23.669","0.005","17.737","0.004","90","","97.697","0.002","90","","5558","2","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C55 H59 Ag F6 Fe N6 O10 P -","- C55 H59 Ag F6 Fe N6 O10 P -","- C220 H236 Ag4 F24 Fe4 N24 O40 P4 -","4","0.5","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Visconti, Marco","The novel metalloligand [Fe(bppd)3] (bppd = 1,3-bis(4-pyridyl)-1,3-propanedionate) for the crystal engineering of heterometallic coordination networks with different silver salts. Anionic control of the structures","CrystEngComm","2011","13","19","5891","","10.1039/c1ce05520h","","","0.71073","MoKα","","0.0748","0.0635","","0.1669","","0.1625","","","1.138","","","","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206546","20.806","0.003","17.767","0.003","25.939","0.004","90","","98.751","0.002","90","","9477","3","150","2","150","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C40 H27 Ag F3 Fe N6 O9 S -","- C40 H27 Ag F3 Fe N6 O9 S -","- C320 H216 Ag8 F24 Fe8 N48 O72 S8 -","8","2","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Visconti, Marco","The novel metalloligand [Fe(bppd)3] (bppd = 1,3-bis(4-pyridyl)-1,3-propanedionate) for the crystal engineering of heterometallic coordination networks with different silver salts. Anionic control of the structures","CrystEngComm","2011","13","19","5891","","10.1039/c1ce05520h","","","0.71073","MoKα","","0.1507","0.0996","","0.3047","0.2708","","","","0.936","","","","","","","has coordinates,has disorder","180396","2020-10-21","18:00:00",""
"7206547","20.341","0.003","17.552","0.003","26.677","0.004","90","","93.888","0.002","90","","9502","3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C78 H54 Ag3 Fe2 N15 O21 -","- C78 H54 Ag3 Fe2 N15 O21 -","- C312 H216 Ag12 Fe8 N60 O84 -","4","0.5","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Visconti, Marco","The novel metalloligand [Fe(bppd)3] (bppd = 1,3-bis(4-pyridyl)-1,3-propanedionate) for the crystal engineering of heterometallic coordination networks with different silver salts. Anionic control of the structures","CrystEngComm","2011","13","19","5891","","10.1039/c1ce05520h","","","0.71073","MoKα","","0.1308","0.0886","","0.2611","0.2328","","","","0.774","","","","","","","has coordinates,has disorder","180396","2020-10-21","18:00:00",""
"7206548","27.6841","0.0011","27.6841","0.0011","17.4801","0.0014","90","","90","","120","","11602.1","1.1","120","2","120","2","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C152 H116 Ag5 Fe3 N18 O33 S5 -","- C130.86 H81 Ag5 Fe3 N18 O23.94 S0.66 -","- C261.72 H162 Ag10 Fe6 N36 O47.88 S1.32 -","2","0.166667","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Visconti, Marco","The novel metalloligand [Fe(bppd)3] (bppd = 1,3-bis(4-pyridyl)-1,3-propanedionate) for the crystal engineering of heterometallic coordination networks with different silver salts. Anionic control of the structures","CrystEngComm","2011","13","19","5891","","10.1039/c1ce05520h","","","0.71073","MoKα","","0.2368","0.1667","","0.455","","0.4279","","","1.429","","","","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206549","13.2081","0.0006","22.073","0.001","18.8381","0.0009","90","","93.242","0.001","90","","5483.3","0.4","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C110 H86 Cl4 Fe3 N26 O20 S2 -","- C110 H82 Fe3 N26 O2 S2 -","- C220 H164 Fe6 N52 O4 S4 -","2","0.5","","Ghazzali, Mohamed; Langer, Vratislav; Larsson, Krister; Öhrström, Lars","Multi-component self-assembly of molecule based materials by coordination networks and weak intermolecular synthons","CrystEngComm","2011","13","19","5813","","10.1039/c1ce05527e","","","0.71073","MoKα","","0.0661","0.048","","","0.1376","0.1472","","","","","","1.004","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206550","12.2473","0.0004","12.6914","0.0005","13.711","0.0005","79.294","0.001","74.263","0.001","69.511","0.001","1911.75","0.12","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C42.5 H31 Cl2 Fe N8 O8.5 -","- C42 H29 Fe N8 -","- C84 H58 Fe2 N16 -","2","1","","Ghazzali, Mohamed; Langer, Vratislav; Larsson, Krister; Öhrström, Lars","Multi-component self-assembly of molecule based materials by coordination networks and weak intermolecular synthons","CrystEngComm","2011","13","19","5813","","10.1039/c1ce05527e","","","0.71073","MoKα","","0.0655","0.0492","","","0.1282","0.1351","","","","","","1.012","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206551","29.713","0.011","17.135","0.007","15.277","0.006","90","","97.121","0.009","90","","7718","5","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C75 H79 Cd3 N7 O19 -","- C75 H79 Cd3 N7 O19 -","- C300 H316 Cd12 N28 O76 -","4","0.5","","Xiang, Hua; Gao, Wen-Yang; Zhong, Di-Chang; Jiang, Long; Lu, Tong-Bu","The diverse structures of Cd(ii) coordination polymers with 1,3,5-benzenetribenzoate tuned by organic bases","CrystEngComm","2011","13","19","5825","","10.1039/c1ce05541k","","","0.71073","MoKα","","0.1124","0.0759","","","0.1924","0.2191","","","","","","1.069","","","","has coordinates,has disorder","180396","2020-10-21","18:00:00",""
"7206552","9.1268","0.0002","26.2489","0.0007","15.3536","0.0004","90","","91.42","0.001","90","","3677.11","0.16","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38.5 H35.5 Cd N2.5 O9.5 -","- C38.5 H26 Cd N2.5 O9.5 -","- C154 H104 Cd4 N10 O38 -","4","1","","Xiang, Hua; Gao, Wen-Yang; Zhong, Di-Chang; Jiang, Long; Lu, Tong-Bu","The diverse structures of Cd(ii) coordination polymers with 1,3,5-benzenetribenzoate tuned by organic bases","CrystEngComm","2011","13","19","5825","","10.1039/c1ce05541k","","","0.71073","MoKα","","0.064","0.0566","","","0.1731","0.1797","","","","","","1.07","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7206553","16.8416","0.0006","29.9444","0.0009","15.9876","0.0005","90","","98.076","0.001","90","","7982.8","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C87 H99 Cd3 N7 O32 -","- C64 H38 Cd2 N2 O12 -","- C256 H152 Cd8 N8 O48 -","4","1","","Xiang, Hua; Gao, Wen-Yang; Zhong, Di-Chang; Jiang, Long; Lu, Tong-Bu","The diverse structures of Cd(ii) coordination polymers with 1,3,5-benzenetribenzoate tuned by organic bases","CrystEngComm","2011","13","19","5825","","10.1039/c1ce05541k","","","0.71073","MoKα","","0.0693","0.0506","","","0.161","0.1775","","","","","","1.116","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206554","28.055","0.01","17.775","0.006","18.682","0.007","90","","117.571","0.009","90","","8258","5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C84 H84 Cd3 N12 O18 -","- C84 H84 Cd3 N12 O18 -","- C336 H336 Cd12 N48 O72 -","4","0.5","","Xiang, Hua; Gao, Wen-Yang; Zhong, Di-Chang; Jiang, Long; Lu, Tong-Bu","The diverse structures of Cd(ii) coordination polymers with 1,3,5-benzenetribenzoate tuned by organic bases","CrystEngComm","2011","13","19","5825","","10.1039/c1ce05541k","","","0.71073","MoKα","","0.1894","0.0721","","","0.1445","0.2044","","","","","","0.971","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206555","25.762","0.003","11.0918","0.0013","30.006","0.004","90","","110.333","0.001","90","","8039.9","1.7","296","2","296","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C20 H82 Co3 In6 N20 O S21 Sb6 -","- C20 H82 Co3 In6 N20 O S21 Sb6 -","- C80 H328 Co12 In24 N80 O4 S84 Sb24 -","4","0.5","","Zhou, Jian; An, Litao","A novel 3-D thioindate-thioantimonate based on the linkages of large heterometallic {In2Sb2S9} clusters and 1-D [In2Sb2S84−]n chains","CrystEngComm","2011","13","19","5924","","10.1039/c1ce05551h","","","0.71073","MoKα","","0.0427","0.037","","","0.1299","0.134","","","","","","1.152","","","","has coordinates,has disorder","180396","2020-10-21","18:00:00",""
"7206556","31.93","0.008","6.041","0.002","7.424","0.001","90","","97.04","0.01","90","","1421.2","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H14 N2 O -","- C18 H14 N2 O -","- C72 H56 N8 O4 -","4","0.5","","Mallet, Charlotte; Allain, Magali; Leriche, Philippe; Frère, Pierre","Competition between π‒π or furan‒perfluorophenyl stacking interactions in conjugated compounds prepared from azomethine connections","CrystEngComm","2011","13","19","5833","","10.1039/c1ce05575e","","x-ray","0.71073","MoKα","","","0.0577","","","","0.1146","","","","","","1.108","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206557","6.4323","0.0009","7.278","0.001","22.578","0.004","90","","93.06","0.01","90","","1055.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H8 F10 N2 O2 -","- C24 H8 F10 N2 O2 -","- C48 H16 F20 N4 O4 -","2","0.5","","Mallet, Charlotte; Allain, Magali; Leriche, Philippe; Frère, Pierre","Competition between π‒π or furan‒perfluorophenyl stacking interactions in conjugated compounds prepared from azomethine connections","CrystEngComm","2011","13","19","5833","","10.1039/c1ce05575e","","x-ray","0.71073","MoKα","","","0.0554","","","","0.1339","","","","","","1.061","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206558","4.7787","0.0002","6.5029","0.0004","13.9073","0.0005","78.371","0.003","83.747","0.003","87.099","0.004","420.6","0.04","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C18 H4 F10 N2 O -","- C18 H4 F10 N2 O -","- C18 H4 F10 N2 O -","1","1","","Mallet, Charlotte; Allain, Magali; Leriche, Philippe; Frère, Pierre","Competition between π‒π or furan‒perfluorophenyl stacking interactions in conjugated compounds prepared from azomethine connections","CrystEngComm","2011","13","19","5833","","10.1039/c1ce05575e","","x-ray","0.71073","MoKα","","","0.0568","","","","0.1655","","","","","","1.049","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206559","14.463","0.002","4.8155","0.0007","14.291","0.002","90","","116.922","0.011","90","","887.5","0.2","180","2","180","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C7 H10 N2 O6 -","- C7 H10 N2 O6 -","- C28 H40 N8 O24 -","4","0.5","","Konidaris, Konstantis F.; Powell, Annie K.; Kostakis, George E.","Peculiar structural findings in coordination chemistry of malonamide‒N,N′-diacetic acid","CrystEngComm","2011","13","19","5872","","10.1039/c1ce05576c","","","0.71073","MoKα","","0.0987","0.0457","","","0.0841","0.0989","","","","","","0.898","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206560","7.7075","0.0007","18.7331","0.0015","8.3841","0.0007","90","","105.034","0.007","90","","1169.11","0.18","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H12 Ca N2 O8 -","- C7 H12 Ca N2 O8 -","- C28 H48 Ca4 N8 O32 -","4","1","","Konidaris, Konstantis F.; Powell, Annie K.; Kostakis, George E.","Peculiar structural findings in coordination chemistry of malonamide‒N,N′-diacetic acid","CrystEngComm","2011","13","19","5872","","10.1039/c1ce05576c","","","0.71073","MoKα","","0.0365","0.0268","","","0.0624","0.0654","","","","","","1.011","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206561","6.6989","0.0009","19.186","0.002","22.557","0.003","90","","96.501","0.011","90","","2880.5","0.6","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H64 Ca4 Cu4 N8 O46 -","- C28 H64 Ca4 Cu4 N8 O46 -","- C56 H128 Ca8 Cu8 N16 O92 -","2","0.5","","Konidaris, Konstantis F.; Powell, Annie K.; Kostakis, George E.","Peculiar structural findings in coordination chemistry of malonamide‒N,N′-diacetic acid","CrystEngComm","2011","13","19","5872","","10.1039/c1ce05576c","","","0.71073","MoKα","","0.1098","0.0572","","","0.102","0.1149","","","","","","0.956","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206562","22.8907","0.0009","22.8907","0.0009","62.003","0.004","90","","90","","120","","28136","2","153","2","153","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C204 H182 Co6 N24 O37 -","- C204 H181.99 Co6 N24 O37 -","- C1224 H1091.94 Co36 N144 O222 -","6","0.333333","","Yang, Ping; Zhou, Hai-Yun; Zhang, Kun; Ye, Bao-Hui","Confinement of unprecedented tetrahedral water tetramers inside 1D hydrophobic channels of metal‒organic framework hosts","CrystEngComm","2011","13","19","5658","","10.1039/c1ce05606a","","","0.71073","MoKα","","0.2369","0.1216","","","0.3206","0.3863","","","","","","1.045","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206563","23.2562","0.0006","23.2562","0.0006","62.035","0.002","90","","90","","120","","29056.6","1.4","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C204 H182 N24 O37 Zn6 -","- C204 H181.99 N24 O37 Zn6 -","- C1224 H1091.94 N144 O222 Zn36 -","6","0.333333","","Yang, Ping; Zhou, Hai-Yun; Zhang, Kun; Ye, Bao-Hui","Confinement of unprecedented tetrahedral water tetramers inside 1D hydrophobic channels of metal‒organic framework hosts","CrystEngComm","2011","13","19","5658","","10.1039/c1ce05606a","","","0.71073","MoKα","","0.1818","0.0685","","","0.1739","0.2321","","","","","","0.98","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206564","9.768","0.002","10.475","0.002","10.64","0.002","74.74","0.03","80.82","0.03","69.5","0.03","981","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H15 Ag N4 O3 S -","- C19 H15 Ag N4 O3 S -","- C38 H30 Ag2 N8 O6 S2 -","2","1","","Sun, Di; Liu, Fu-Jing; Hao, Hong-Jun; Li, Yun-Hua; Zhang, Na; Huang, Rong-Bin; Zheng, Lan-Sun","A novel arenedisulfonate-templated 1D silver ladder constructed from 4-aminobenzonitrile ligand","CrystEngComm","2011","13","19","5661","","10.1039/c1ce05622k","","","0.71073","MoKα","","0.0287","0.0255","","","0.0624","0.064","","","","","","1.047","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206565","9.2284","0.0018","9.4398","0.0019","17.845","0.004","90","","92.018","0.004","90","","1553.6","0.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 Ag N5 O3 -","- C14 H12 Ag N5 O3 -","- C56 H48 Ag4 N20 O12 -","4","1","","Sun, Di; Liu, Fu-Jing; Hao, Hong-Jun; Li, Yun-Hua; Zhang, Na; Huang, Rong-Bin; Zheng, Lan-Sun","A novel arenedisulfonate-templated 1D silver ladder constructed from 4-aminobenzonitrile ligand","CrystEngComm","2011","13","19","5661","","10.1039/c1ce05622k","","","0.71073","MoKα","","0.0414","0.0379","","","0.0929","0.0954","","","","","","1.143","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206566","9.1859","0.0015","9.691","0.0016","20.348","0.003","90","","115.309","0.006","90","","1637.5","0.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 Ag Cl N4 O4 -","- C14 H12 Ag Cl N4 O4 -","- C56 H48 Ag4 Cl4 N16 O16 -","4","1","","Sun, Di; Liu, Fu-Jing; Hao, Hong-Jun; Li, Yun-Hua; Zhang, Na; Huang, Rong-Bin; Zheng, Lan-Sun","A novel arenedisulfonate-templated 1D silver ladder constructed from 4-aminobenzonitrile ligand","CrystEngComm","2011","13","19","5661","","10.1039/c1ce05622k","","","0.71073","MoKα","","0.0338","0.032","","","0.0769","0.0779","","","","","","1.159","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206567","9.4587","0.0019","9.989","0.002","18.523","0.004","90","","90.07","0.03","90","","1750.1","0.6","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 Ag F6 N4 P -","- C14 H12 Ag F6 N4 P -","- C56 H48 Ag4 F24 N16 P4 -","4","1","","Sun, Di; Liu, Fu-Jing; Hao, Hong-Jun; Li, Yun-Hua; Zhang, Na; Huang, Rong-Bin; Zheng, Lan-Sun","A novel arenedisulfonate-templated 1D silver ladder constructed from 4-aminobenzonitrile ligand","CrystEngComm","2011","13","19","5661","","10.1039/c1ce05622k","","","0.71073","MoKα","","0.0364","0.0308","","","0.0826","0.0857","","","","","","1.079","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206568","9.4187","0.0019","10.098","0.002","10.271","0.002","111.21","0.03","106.08","0.03","91.41","0.03","866.5","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H12 Ag F3 N4 O2 -","- C16 H12 Ag F3 N4 O2 -","- C32 H24 Ag2 F6 N8 O4 -","2","1","","Sun, Di; Liu, Fu-Jing; Hao, Hong-Jun; Li, Yun-Hua; Zhang, Na; Huang, Rong-Bin; Zheng, Lan-Sun","A novel arenedisulfonate-templated 1D silver ladder constructed from 4-aminobenzonitrile ligand","CrystEngComm","2011","13","19","5661","","10.1039/c1ce05622k","","","0.71073","MoKα","","0.0385","0.0339","","","0.0849","0.0908","","","","","","1.115","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206569","7.362","0.0018","12.946","0.002","13.628","0.0013","90","","91.312","0.003","90","","1298.5","0.4","291","2","291","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C15 H16 N7 Ni O5 Zn -","- C15 H16 N7 Ni O5 Zn -","- C30 H32 N14 Ni2 O10 Zn2 -","2","0.5","","Chen, Xin; Zhou, Hu; Chen, Ying-Ying; Yuan, Ai-Hua","Ligand-concentration-dependent self-organization of Hoffman- and PtS-type frameworks from one-pot crystallization","CrystEngComm","2011","13","19","5666","","10.1039/c1ce05699a","","","0.71073","MoKα","","0.0979","0.0597","","","0.1178","0.1251","","","","","","1.024","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206570","7.4474","0.0012","7.4474","0.0012","13.05","0.004","90","","90","","90","","723.8","0.3","291","2","291","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C4 N4 Ni Zn -","- C4 N4 Ni Zn -","- C8 N8 Ni2 Zn2 -","2","0.125","","Chen, Xin; Zhou, Hu; Chen, Ying-Ying; Yuan, Ai-Hua","Ligand-concentration-dependent self-organization of Hoffman- and PtS-type frameworks from one-pot crystallization","CrystEngComm","2011","13","19","5666","","10.1039/c1ce05699a","","","0.71073","MoKα","","0.025","0.0216","","","0.0581","0.0596","","","","","","1.157","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206571","12.6429","0.0019","7.9421","0.0012","12.4142","0.0019","90","","99.785","0.002","90","","1228.4","0.3","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H6 N6 Ni Zn -","- C8 H6 N6 Ni Zn -","- C32 H24 N24 Ni4 Zn4 -","4","0.5","","Chen, Xin; Zhou, Hu; Chen, Ying-Ying; Yuan, Ai-Hua","Ligand-concentration-dependent self-organization of Hoffman- and PtS-type frameworks from one-pot crystallization","CrystEngComm","2011","13","19","5666","","10.1039/c1ce05699a","","","0.71073","MoKα","","0.032","0.0232","","","0.0533","0.0563","","","","","","1.041","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206572","6.9915","0.0009","11.7916","0.0015","13.0707","0.0016","69.367","0.001","81.976","0.002","85.836","0.002","998.3","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H15 Ag B F4 N3 -","- C22 H15 Ag B F4 N3 -","- C44 H30 Ag2 B2 F8 N6 -","2","1","","Bosch, Eric; Matheny, Julie; Brown, Amy E.; Eichler, Barrett","Role of counterions in the structures of diquinolinyl-silver coordination polymers","CrystEngComm","2011","13","19","5755","","10.1039/c1ce05753g","","","0.71073","MoKα","","0.0366","0.0306","","","0.0699","0.073","","","","","","1.037","","","","has coordinates,has disorder","180396","2020-10-21","18:00:00",""
"7206573","8.3032","0.001","11.4028","0.0011","12.3817","0.001","76.926","0.002","83.328","0.001","72.711","0.002","1088.8","0.19","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H15 Ag F6 N3 Sb -","- C22 H15 Ag F6 N3 Sb -","- C44 H30 Ag2 F12 N6 Sb2 -","2","1","","Bosch, Eric; Matheny, Julie; Brown, Amy E.; Eichler, Barrett","Role of counterions in the structures of diquinolinyl-silver coordination polymers","CrystEngComm","2011","13","19","5755","","10.1039/c1ce05753g","","","0.71073","MoKα","","0.0367","0.0261","","","0.05","0.0547","","","","","","1.018","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206574","9.3343","0.0014","10.0902","0.0016","11.2321","0.0018","106.904","0.002","95.69","0.002","106.701","0.002","950","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H12 Ag F3 N2 O2 -","- C22 H12 Ag F3 N2 O2 -","- C44 H24 Ag2 F6 N4 O4 -","2","1","","Bosch, Eric; Matheny, Julie; Brown, Amy E.; Eichler, Barrett","Role of counterions in the structures of diquinolinyl-silver coordination polymers","CrystEngComm","2011","13","19","5755","","10.1039/c1ce05753g","","","0.71073","MoKα","","0.0426","0.03","","","0.0628","0.0694","","","","","","1.032","","","","has coordinates,has disorder","180396","2020-10-21","18:00:00",""
"7206575","23.6617","0.0012","9.5813","0.0005","20.3753","0.0016","90","","119.684","0.001","90","","4013.1","0.4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H12 Ag F5 N2 O2 -","- C23 H12 Ag F5 N2 O2 -","- C184 H96 Ag8 F40 N16 O16 -","8","1","","Bosch, Eric; Matheny, Julie; Brown, Amy E.; Eichler, Barrett","Role of counterions in the structures of diquinolinyl-silver coordination polymers","CrystEngComm","2011","13","19","5755","","10.1039/c1ce05753g","","","0.71073","MoKα","","0.0378","0.0282","","","0.0605","0.0663","","","","","","1.027","","","","has coordinates","208246","2020-10-21","18:00:00",""
"7206576","9.3176","0.0009","9.8539","0.0009","10.8856","0.001","113.664","0.001","94.632","0.001","105.517","0.001","861.78","0.14","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H12 Ag N3 O3 -","- C20 H12 Ag N3 O3 -","- C40 H24 Ag2 N6 O6 -","2","1","","Bosch, Eric; Matheny, Julie; Brown, Amy E.; Eichler, Barrett","Role of counterions in the structures of diquinolinyl-silver coordination polymers","CrystEngComm","2011","13","19","5755","","10.1039/c1ce05753g","","","0.71073","MoKα","","0.021","0.0194","","","0.0485","0.0494","","","","","","1.057","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206577","12.6144","0.0011","11.932","0.001","13.318","0.0011","90","","106.702","0.001","90","","1920","0.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H12 Ag F3 N2 O3 S -","- C21 H12 Ag F3 N2 O3 S -","- C84 H48 Ag4 F12 N8 O12 S4 -","4","1","","Bosch, Eric; Matheny, Julie; Brown, Amy E.; Eichler, Barrett","Role of counterions in the structures of diquinolinyl-silver coordination polymers","CrystEngComm","2011","13","19","5755","","10.1039/c1ce05753g","","","0.71073","MoKα","","0.0483","0.0316","","","0.0695","0.0773","","","","","","1.027","","","","has coordinates","208163","2020-10-21","18:00:00",""
"7206596","6.5724","0.0015","8.922","0.002","10.621","0.004","108.461","0.005","94.233","0.005","110.179","0.003","542.6","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H12 Cl0 Cu3 N14 O8 -","- C12 H12 Cu3 N14 O8 -","- C12 H12 Cu3 N14 O8 -","1","0.5","","Gao, Qian; Xie, Ya-Bo; Thorstad, Melissa; Sun, Ji-Hong; Cui, Yue; Zhou, Hong-Cai","Two azido-bridged copper(ii) coordination polymers with isonicotinate-N-oxide and picolinate-N-oxide acting as co-ligands","CrystEngComm","2011","13","22","6787","","10.1039/c0ce00914h","","","0.71073","MoKα","","0.0243","0.0224","","","0.0611","0.062","","","","","","1.087","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206597","5.2676","0.0011","10.446","0.002","10.739","0.002","116.41","0.03","103.82","0.03","92.64","0.03","506","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H8 Cu3 N14 O6 -","- C12 H8 Cu3 N14 O6 -","- C12 H8 Cu3 N14 O6 -","1","0.5","","Gao, Qian; Xie, Ya-Bo; Thorstad, Melissa; Sun, Ji-Hong; Cui, Yue; Zhou, Hong-Cai","Two azido-bridged copper(ii) coordination polymers with isonicotinate-N-oxide and picolinate-N-oxide acting as co-ligands","CrystEngComm","2011","13","22","6787","","10.1039/c0ce00914h","","","0.71073","MoKα","","0.0326","0.0269","","","0.0728","0.0748","","","","","","1.16","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206598","7.6459","0.0015","27.929","0.006","11.311","0.002","90","","91.84","0.03","90","","2414.1","0.8","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","CDPA-DMAP","","","- C29 H26 N4 O2 -","- C29 H26 N4 O2 -","- C116 H104 N16 O8 -","4","1","","Anthony, Savarimuthu Philip; Delaney, Colm; Varughese, Sunil; Wang, Longsheng; Draper, Sylvia M.","Supramolecular luminescent system based on 2-cyano-3(4-(diphenylamino)phenyl) acrylic acid: Chiral luminescent host for selective CH3CN sensor","CrystEngComm","2011","13","22","6706","","10.1039/c1ce05187c","","","0.71073","MoKα","","0.0697","0.0555","","","0.1498","0.1637","","","","","","1.105","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206599","20.497","0.008","6.687","0.003","20.628","0.008","90","","118.114","0.007","90","","2493.8","1.8","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","CDPA-Propylamine","","","- C26 H26.5 N3.5 O2 -","- C26 H26.5 N3.5 O2 -","- C104 H106 N14 O8 -","4","1","","Anthony, Savarimuthu Philip; Delaney, Colm; Varughese, Sunil; Wang, Longsheng; Draper, Sylvia M.","Supramolecular luminescent system based on 2-cyano-3(4-(diphenylamino)phenyl) acrylic acid: Chiral luminescent host for selective CH3CN sensor","CrystEngComm","2011","13","22","6706","","10.1039/c1ce05187c","","","0.71073","MoKα","","0.1027","0.0834","","","0.216","0.2298","","","","","","1.083","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7206600","6.822","0.01","10.44","0.02","8.87","0.015","90","","101.396","0.013","90","","619.3","1.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Zn(N4CCH2CH2COO)]n","[Zn(N4CCH2CH2COO)]n","","- C4 H4 N4 O2 Zn -","- C4 H4 N4 O2 Zn -","- C16 H16 N16 O8 Zn4 -","4","1","","Wu, Mei-Feng; Liu, Zhi-Fa; Wang, Shuai-Hua; Chen, Jun; Xu, Gang; Zheng, Fa-Kun; Guo, Guo-Cong; Huang, Jin-Shun","Structures and photoluminescence of zinc(ii) coordination polymers based on in situ generated 1H-tetrazolate-5-propionic acid ligands","CrystEngComm","2011","13","21","6386","","10.1039/c1ce05281k","","","0.71073","MoKα","","0.0276","0.0236","","","0.0589","0.0613","","","","","","1.063","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206601","8.371","0.004","22.545","0.01","9.785","0.005","90","","112.603","0.001","90","","1704.8","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Zn2(C10N2H8)(N4CCH2CH2COO)(N3)(u2-OH)]n","[Zn2(C10N2H8)(N4CCH2CH2COO)(N3)(u2-OH)]n","","- C14 H13 N9 O3 Zn2 -","- C14 H12 N9 O3 Zn2 -","- C56 H48 N36 O12 Zn8 -","4","1","","Wu, Mei-Feng; Liu, Zhi-Fa; Wang, Shuai-Hua; Chen, Jun; Xu, Gang; Zheng, Fa-Kun; Guo, Guo-Cong; Huang, Jin-Shun","Structures and photoluminescence of zinc(ii) coordination polymers based on in situ generated 1H-tetrazolate-5-propionic acid ligands","CrystEngComm","2011","13","21","6386","","10.1039/c1ce05281k","","","0.71073","MoKα","","0.0491","0.0404","","","0.0888","0.0951","","","","","","1.092","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206602","14.992","0.003","7.602","0.003","9.47","0.002","90","","105.271","0.019","90","","1041.2","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Zn2(C10N2H8)(N4CCH2CH2COO)2]n","[Zn2(C10N2H8)(N4CCH2CH2COO)2]n","","- C18 H16 N10 O4 Zn2 -","- C18 H16 N10 O4 Zn2 -","- C36 H32 N20 O8 Zn4 -","2","0.5","","Wu, Mei-Feng; Liu, Zhi-Fa; Wang, Shuai-Hua; Chen, Jun; Xu, Gang; Zheng, Fa-Kun; Guo, Guo-Cong; Huang, Jin-Shun","Structures and photoluminescence of zinc(ii) coordination polymers based on in situ generated 1H-tetrazolate-5-propionic acid ligands","CrystEngComm","2011","13","21","6386","","10.1039/c1ce05281k","","","0.71073","MoKα","","0.1294","0.0768","","","0.1418","0.1541","","","","","","0.979","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206603","11.494","0.002","14.205","0.003","9.7499","0.0019","90","","98.87","0.03","90","","1572.9","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H7 I2 N3 O2 Pb -","- C12 H7 I2 N3 O2 Pb -","- C48 H28 I8 N12 O8 Pb4 -","4","1","","Li, Hao-Hong; Wu, Yan-Ling; Dong, Hai-Jun; Wang, Min; Huang, Shu-Wei; Chen, Zhi-Rong","Structure and property variations of lead iodide‒organic coordination polymers tuned by substituted groups on phenanthroline","CrystEngComm","2011","13","22","6766","","10.1039/c1ce05393k","","","0.71073","MoKα","","0.0617","0.0593","","","0.1316","0.133","","","","","","1.223","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206604","10.178","0.002","19.652","0.004","8.1846","0.0016","90","","116.79","0.03","90","","1461.4","0.6","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H9 I2 N3 Pb -","- C12 H9 I2 N3 Pb -","- C48 H36 I8 N12 Pb4 -","4","1","","Li, Hao-Hong; Wu, Yan-Ling; Dong, Hai-Jun; Wang, Min; Huang, Shu-Wei; Chen, Zhi-Rong","Structure and property variations of lead iodide‒organic coordination polymers tuned by substituted groups on phenanthroline","CrystEngComm","2011","13","22","6766","","10.1039/c1ce05393k","","","0.71073","MoKα","","0.0598","0.0542","","","0.1292","0.1439","","","","","","1.15","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206605","11.698","0.002","14.156","0.003","9.4216","0.0019","90","","98.16","0.03","90","","1544.4","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H7 Cl I2 N2 Pb -","- C12 H7 Cl I2 N2 Pb -","- C48 H28 Cl4 I8 N8 Pb4 -","4","1","","Li, Hao-Hong; Wu, Yan-Ling; Dong, Hai-Jun; Wang, Min; Huang, Shu-Wei; Chen, Zhi-Rong","Structure and property variations of lead iodide‒organic coordination polymers tuned by substituted groups on phenanthroline","CrystEngComm","2011","13","22","6766","","10.1039/c1ce05393k","","","0.71073","MoKα","","0.1047","0.0892","","","0.1854","0.1941","","","","","","1.249","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206606","15.4705","0.0003","11.8919","0.0003","7.849","0.0002","88.252","0.002","95.429","0.002","92.534","0.002","1435.62","0.06","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C24 H22 Co N4 O12 V4 -","- C24 H22 Co N4 O12 V4 -","- C48 H44 Co2 N8 O24 V8 -","2","1","","Fernández de Luis, Roberto; Urtiaga, M. Karmele; Mesa, José L.; Segura, Joseba Orive Gómez de; Rojo, Teófilo; Arriortua, María I.","{Co(HBpe)2}(V4O12): pedal motion induced order‒disorder P1̄\ρightarrow C1̄ transition and disrupted C1̄→C2/m displacive transition due to thermal instability","CrystEngComm","2011","13","21","6488","","10.1039/c1ce05418j","","","0.71073","MoKα","","0.0477","0.0307","","","0.0741","0.0775","","","","","","0.968","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206607","15.4905","0.0017","12.0219","0.0009","7.8804","0.0007","88.69","0.008","95.03","0.009","90.906","0.008","1461.4","0.2","293","2","293","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C24 H22 Co N4 O12 V4 -","- C24 H22 Co N4 O12 V4 -","- C48 H44 Co2 N8 O24 V8 -","2","1","","Fernández de Luis, Roberto; Urtiaga, M. Karmele; Mesa, José L.; Segura, Joseba Orive Gómez de; Rojo, Teófilo; Arriortua, María I.","{Co(HBpe)2}(V4O12): pedal motion induced order‒disorder P1̄\ρightarrow C1̄ transition and disrupted C1̄→C2/m displacive transition due to thermal instability","CrystEngComm","2011","13","21","6488","","10.1039/c1ce05418j","","","0.71073","MoKα","","0.1226","0.0734","","","0.1936","0.2157","","","","","","0.845","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206608","15.4955","0.0007","12.1132","0.0006","7.9099","0.0007","88.155","0.006","95.227","0.006","90.875","0.004","1477.63","0.16","438","2","438","2","","","","","","","synthesis as described","6","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","","","- C24 H22 Co N4 O12 V4 -","- C24 H22 Co N4 O12 V4 -","- C48 H44 Co2 N8 O24 V8 -","2","","","Fernández de Luis, Roberto; Urtiaga, M. Karmele; Mesa, José L.; Segura, Joseba Orive Gómez de; Rojo, Teófilo; Arriortua, María I.","{Co(HBpe)2}(V4O12): pedal motion induced order‒disorder P1̄\ρightarrow C1̄ transition and disrupted C1̄→C2/m displacive transition due to thermal instability","CrystEngComm","2011","13","21","6488","","10.1039/c1ce05418j","","","0.71073","MoKα","","0.0826","0.0572","","","0.1378","0.1452","","","","","","0.938","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7206609","15.456","0.003","12.141","0.003","7.915","0.005","89.727","0.018","95.358","0.018","90.177","0.017","1478.7","1","503","2","503","2","","","","","","","synthesis as described","6","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","","","- C24 H22 Co N4 O12 V4 -","- C24 H22 Co N4 O12 V4 -","- C48 H44 Co2 N8 O24 V8 -","2","","","Fernández de Luis, Roberto; Urtiaga, M. Karmele; Mesa, José L.; Segura, Joseba Orive Gómez de; Rojo, Teófilo; Arriortua, María I.","{Co(HBpe)2}(V4O12): pedal motion induced order‒disorder P1̄\ρightarrow C1̄ transition and disrupted C1̄→C2/m displacive transition due to thermal instability","CrystEngComm","2011","13","21","6488","","10.1039/c1ce05418j","","","0.71073","MoKα","","0.1113","0.0498","","","0.1213","0.1384","","","","","","0.966","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7206610","15.404","0.005","12.082","0.004","7.885","0.002","90","","94.95","0.02","90","","1462","0.8","533","2","533","2","","","","","","","synthesis as described","6","C 1 2/m 1","-C 2y","12","","","","- C6 H5.5 Co0.25 N O3 V -","- C6 H5.5 Co0.25 N O3 V -","- C48 H44 Co2 N8 O24 V8 -","8","1","","Fernández de Luis, Roberto; Urtiaga, M. Karmele; Mesa, José L.; Segura, Joseba Orive Gómez de; Rojo, Teófilo; Arriortua, María I.","{Co(HBpe)2}(V4O12): pedal motion induced order‒disorder P1̄\ρightarrow C1̄ transition and disrupted C1̄→C2/m displacive transition due to thermal instability","CrystEngComm","2011","13","21","6488","","10.1039/c1ce05418j","","","0.71073","MoKα","","0.1659","0.0609","","","0.1207","0.1476","","","","","","0.843","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7206611","21.96","0.005","5.8873","0.0013","10.731","0.003","90","","102.46","0.02","90","","1354.7","0.6","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H36 N2 O10 Zn -","- C26 H36 N2 O10 Zn -","- C52 H72 N4 O20 Zn2 -","2","0.5","","Yang, Xiu-Li; Xie, Ming-Hua; Zou, Chao; Wu, Chuan-De","Syntheses, crystal structures and optical properties of six homochiral coordination networks based on phenyl acid-amino acids","CrystEngComm","2011","13","21","6422","","10.1039/c1ce05422h","","","0.71073","MoKα","","0.0691","0.041","","","0.0666","0.071","","","","","","0.924","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206612","21.574","0.003","5.9897","0.0003","14.1692","0.0018","90","","127.501","0.019","90","","1452.6","0.5","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H36 Cu2 N2 O11 -","- C26 H36 Cu2 N2 O11 -","- C52 H72 Cu4 N4 O22 -","2","0.5","","Yang, Xiu-Li; Xie, Ming-Hua; Zou, Chao; Wu, Chuan-De","Syntheses, crystal structures and optical properties of six homochiral coordination networks based on phenyl acid-amino acids","CrystEngComm","2011","13","21","6422","","10.1039/c1ce05422h","","","0.71073","MoKα","","0.0383","0.0309","","","0.0651","0.0667","","","","","","1.007","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206613","6.6534","0.0001","18.96","0.0003","22.5591","0.0003","90","","90","","90","","2845.8","0.07","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H30 N2 O8 Zn2 -","- C26 H30 N2 O8 Zn2 -","- C104 H120 N8 O32 Zn8 -","4","1","","Yang, Xiu-Li; Xie, Ming-Hua; Zou, Chao; Wu, Chuan-De","Syntheses, crystal structures and optical properties of six homochiral coordination networks based on phenyl acid-amino acids","CrystEngComm","2011","13","21","6422","","10.1039/c1ce05422h","","","1.54178","CuKα","","0.0444","0.0363","","","0.0791","0.0833","","","","","","1.084","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206614","21.5285","0.001","5.9677","0.0003","11.6873","0.0006","90","","98.289","0.005","90","","1485.85","0.13","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C11 H19 Cu N O9 -","- C11 H18 Cu N O9 -","- C44 H72 Cu4 N4 O36 -","4","1","","Yang, Xiu-Li; Xie, Ming-Hua; Zou, Chao; Wu, Chuan-De","Syntheses, crystal structures and optical properties of six homochiral coordination networks based on phenyl acid-amino acids","CrystEngComm","2011","13","21","6422","","10.1039/c1ce05422h","","","0.71073","MoKα","","0.0562","0.037","","","0.0512","0.0538","","","","","","0.876","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206615","8.324","0.0008","6.4377","0.0004","11.3504","0.0008","90","","101.988","0.009","90","","594.97","0.08","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H11 N O5 Zn -","- C11 H11 N O5 Zn -","- C22 H22 N2 O10 Zn2 -","2","1","","Yang, Xiu-Li; Xie, Ming-Hua; Zou, Chao; Wu, Chuan-De","Syntheses, crystal structures and optical properties of six homochiral coordination networks based on phenyl acid-amino acids","CrystEngComm","2011","13","21","6422","","10.1039/c1ce05422h","","","0.71073","MoKα","","0.0724","0.0475","","","0.0969","0.1018","","","","","","1.084","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206616","17.0146","0.0001","17.0146","0.0001","17.0146","0.0001","90","","90","","90","","4925.67","0.05","293","2","293","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C36 H46 Cd3 Cl N4 Na O23 -","- C33 H33 Cd3 Cl N3 Na O19 -","- C132 H132 Cd12 Cl4 N12 Na4 O76 -","4","0.333333","","Yang, Xiu-Li; Xie, Ming-Hua; Zou, Chao; Wu, Chuan-De","Syntheses, crystal structures and optical properties of six homochiral coordination networks based on phenyl acid-amino acids","CrystEngComm","2011","13","21","6422","","10.1039/c1ce05422h","","","0.71073","MoKα","","0.0551","0.0365","","","0.0823","0.0847","","","","","","1.01","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206617","6.6641","0.0002","7.7528","0.0003","19.6619","0.0007","90","","109.75","0.003","90","","956.08","0.06","294","2","294","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C18 H11 La2 N3 O13 -","- C18 H11 La2 N3 O13 -","- C36 H22 La4 N6 O26 -","2","0.5","","Fang, Shao-Ming; Hu, Min; Jia, Li-Ran; Wang, Cong; Zhang, Qiang; Ma, Song-Tao; Du, Miao; Liu, Chun-Sen","Highly-thermostable lanthanide‒organic coordination frameworks with N-protonated 2,6-dihydroxypyridine-4-carboxylate exhibiting unusual 3-D mixed-connected network topology","CrystEngComm","2011","13","21","6555","","10.1039/c1ce05465a","","","0.71073","MoKα","","0.0386","0.0228","","","0.0304","0.0312","","","","","","0.883","","","","has coordinates,has disorder","180397","2020-10-21","18:00:00",""
"7206618","6.5605","0.0007","7.6743","0.0008","19.351","0.002","90","","108.709","0.009","90","","922.79","0.17","294","2","294","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C18 H11 N3 O13 Sm2 -","- C18 H11 N3 O13 Sm2 -","- C36 H22 N6 O26 Sm4 -","2","0.5","","Fang, Shao-Ming; Hu, Min; Jia, Li-Ran; Wang, Cong; Zhang, Qiang; Ma, Song-Tao; Du, Miao; Liu, Chun-Sen","Highly-thermostable lanthanide‒organic coordination frameworks with N-protonated 2,6-dihydroxypyridine-4-carboxylate exhibiting unusual 3-D mixed-connected network topology","CrystEngComm","2011","13","21","6555","","10.1039/c1ce05465a","","","0.71073","MoKα","","0.0605","0.0316","","","0.0498","0.0527","","","","","","0.98","","","","has coordinates,has disorder","180397","2020-10-21","18:00:00",""
"7206619","6.6571","0.0006","7.6931","0.0007","19.61","0.002","90","","108.808","0.008","90","","950.68","0.16","294","2","294","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C18 H9 La2 N3 O12 -","- C18 H9 La2 N3 O12 -","- C36 H18 La4 N6 O24 -","2","0.5","","Fang, Shao-Ming; Hu, Min; Jia, Li-Ran; Wang, Cong; Zhang, Qiang; Ma, Song-Tao; Du, Miao; Liu, Chun-Sen","Highly-thermostable lanthanide‒organic coordination frameworks with N-protonated 2,6-dihydroxypyridine-4-carboxylate exhibiting unusual 3-D mixed-connected network topology","CrystEngComm","2011","13","21","6555","","10.1039/c1ce05465a","","","0.71073","MoKα","","0.0793","0.0675","","","0.2079","0.2238","","","","","","1.045","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206620","6.5238","0.0002","7.6246","0.0002","19.2614","0.0007","90","","108.791","0.003","90","","907.02","0.05","294","2","294","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C18 H9 N3 O12 Sm2 -","- C18 H9 N3 O12 Sm2 -","- C36 H18 N6 O24 Sm4 -","2","0.5","","Fang, Shao-Ming; Hu, Min; Jia, Li-Ran; Wang, Cong; Zhang, Qiang; Ma, Song-Tao; Du, Miao; Liu, Chun-Sen","Highly-thermostable lanthanide‒organic coordination frameworks with N-protonated 2,6-dihydroxypyridine-4-carboxylate exhibiting unusual 3-D mixed-connected network topology","CrystEngComm","2011","13","21","6555","","10.1039/c1ce05465a","","","0.71073","MoKα","","0.0313","0.0259","","","0.0604","0.0628","","","","","","1.068","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206621","14.132","0.005","10.507","0.003","15.816","0.005","90","","98.504","0.004","90","","2322.6","1.3","93","2","93","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H19.02 Eu2 N2 O20.51 P2 -","- C10 H14 Eu2 N2 O20.511 P2 -","- C40 H56 Eu8 N8 O82.044 P8 -","4","0.5","","Zhang, Lijuan; Xu, Sheng; Zhou, Yunshan; Zheng, Xiaorui; Yu, Chao; Shi, Zonghai; Hassan, Sadaf ul; Chen, Chao","Two isomorphous 3-D lanthanide oxalatophosphonate frameworks based on glyphosate: syntheses, crystal structures, and luminescence properties","CrystEngComm","2011","13","21","6511","","10.1039/c1ce05489a","","","0.71073","MoKα","","0.0242","0.0204","","","0.0472","0.0488","","","","","","1.002","","","","has coordinates,has disorder","180397","2020-10-21","18:00:00",""
"7206622","14.069","0.003","10.443","0.002","15.714","0.003","90","","98.528","0.003","90","","2283.2","0.8","103","2","103","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H18.92 N2 O20.46 P2 Tb2 -","- C10 H14 N2 O20.461 P2 Tb2 -","- C40 H56 N8 O81.844 P8 Tb8 -","4","0.5","","Zhang, Lijuan; Xu, Sheng; Zhou, Yunshan; Zheng, Xiaorui; Yu, Chao; Shi, Zonghai; Hassan, Sadaf ul; Chen, Chao","Two isomorphous 3-D lanthanide oxalatophosphonate frameworks based on glyphosate: syntheses, crystal structures, and luminescence properties","CrystEngComm","2011","13","21","6511","","10.1039/c1ce05489a","","","0.71073","MoKα","","0.0277","0.0224","","","0.0486","0.0505","","","","","","1.001","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"7206623","7.5366","0.0004","9.427","0.0004","8.9888","0.0004","90","","96.744","0.003","90","","634.21","0.05","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 Cl2 Cu N6 -","- C8 H12 Cl2 Cu N6 -","- C16 H24 Cl4 Cu2 N12 -","2","0.5","","Li, Xia; Gu, Ya-Kun; Deng, Xue-Bin; Zhao, Kai; Jin, Lin-Pei","Effect of anions on architectures of transition metal complexes with 1,4-bis(1,2,4-triazol-1-yl)butane","CrystEngComm","2011","13","22","6665","","10.1039/c1ce05491k","","","0.71073","MoKα","","0.0352","0.0288","","","0.0672","0.0707","","","","","","1.072","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206624","10.9001","0.0007","10.9001","0.0007","8.1598","0.0009","90","","90","","120","","839.6","0.12","293","2","293","2","","","","","","","","5","P -3","-P 3","147","","","","- C24 H36 N20 Ni O6 -","- C24 H36 N20 Ni O6 -","- C24 H36 N20 Ni O6 -","1","0.166667","","Li, Xia; Gu, Ya-Kun; Deng, Xue-Bin; Zhao, Kai; Jin, Lin-Pei","Effect of anions on architectures of transition metal complexes with 1,4-bis(1,2,4-triazol-1-yl)butane","CrystEngComm","2011","13","22","6665","","10.1039/c1ce05491k","","","0.71073","MoKα","","0.0417","0.0345","","","0.0787","0.0829","","","","","","1.074","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206625","8.9652","0.0001","9.6841","0.0002","15.5712","0.0003","90","","90.783","0.001","90","","1351.76","0.04","296","2","296","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C18 H24 Co N14 O2 S2 -","- C18 H24 Co N14 O2 S2 -","- C36 H48 Co2 N28 O4 S4 -","2","0.5","","Li, Xia; Gu, Ya-Kun; Deng, Xue-Bin; Zhao, Kai; Jin, Lin-Pei","Effect of anions on architectures of transition metal complexes with 1,4-bis(1,2,4-triazol-1-yl)butane","CrystEngComm","2011","13","22","6665","","10.1039/c1ce05491k","","","0.71073","MoKα","","0.0841","0.0659","","","0.1922","0.2118","","","","","","1.026","","","","has coordinates,has disorder","180397","2020-10-21","18:00:00",""
"7206626","8.506","0.002","17.003","0.004","10.491","0.003","90","","90","","90","","1517.3","0.7","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C8 H18 N6 Ni O7 S -","- C8 H18 N6 Ni O7 S -","- C32 H72 N24 Ni4 O28 S4 -","4","0.5","","Li, Xia; Gu, Ya-Kun; Deng, Xue-Bin; Zhao, Kai; Jin, Lin-Pei","Effect of anions on architectures of transition metal complexes with 1,4-bis(1,2,4-triazol-1-yl)butane","CrystEngComm","2011","13","22","6665","","10.1039/c1ce05491k","","","0.71073","MoKα","","0.068","0.0534","","","0.1296","0.1393","","","","","","1.071","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206627","7.7348","0.0005","17.2121","0.0012","8.7343","0.0006","90","","113.849","0.001","90","","1063.53","0.13","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 Br2 Cu N12 -","- C16 H24 Br2 Cu N12 -","- C32 H48 Br4 Cu2 N24 -","2","0.5","","Li, Xia; Gu, Ya-Kun; Deng, Xue-Bin; Zhao, Kai; Jin, Lin-Pei","Effect of anions on architectures of transition metal complexes with 1,4-bis(1,2,4-triazol-1-yl)butane","CrystEngComm","2011","13","22","6665","","10.1039/c1ce05491k","","","0.71073","MoKα","","0.045","0.0296","","","0.0588","0.0634","","","","","","1.018","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206628","18.787","0.002","18.787","0.002","25.17","0.004","90","","90","","120","","7693.6","1.7","103","2","103","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C72 H108 Cl6 N54 Ni3 O24 -","- C72 H108 Cl6 N54 Ni3 O24 -","- C216 H324 Cl18 N162 Ni9 O72 -","3","0.166667","","Li, Xia; Gu, Ya-Kun; Deng, Xue-Bin; Zhao, Kai; Jin, Lin-Pei","Effect of anions on architectures of transition metal complexes with 1,4-bis(1,2,4-triazol-1-yl)butane","CrystEngComm","2011","13","22","6665","","10.1039/c1ce05491k","","","0.71073","MoKα","","0.0511","0.0433","","","0.1052","0.1101","","","","","","0.999","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7206629","8.5182","0.0011","17.061","0.002","10.5318","0.0014","90","","90","","90","","1530.6","0.3","150","2","150","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C8 H18 Co N6 O7 S -","- C8 H18 Co N6 O7 S -","- C32 H72 Co4 N24 O28 S4 -","4","0.5","","Li, Xia; Gu, Ya-Kun; Deng, Xue-Bin; Zhao, Kai; Jin, Lin-Pei","Effect of anions on architectures of transition metal complexes with 1,4-bis(1,2,4-triazol-1-yl)butane","CrystEngComm","2011","13","22","6665","","10.1039/c1ce05491k","","","0.71073","MOKα","","0.05","0.0359","","","0.0792","0.0855","","","","","","1.051","","","","has coordinates","192782","2020-10-21","18:00:00",""
"7206630","13.1073","0.0009","17.5935","0.0013","25.4796","0.0019","90","","90","","90","","5875.7","0.7","296","2","296","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C16 H28 Cl2 Cu N12 O10 -","- C16 H28 Cl2 Cu N12 O9.988 -","- C128 H224 Cl16 Cu8 N96 O79.904 -","8","0.25","","Li, Xia; Gu, Ya-Kun; Deng, Xue-Bin; Zhao, Kai; Jin, Lin-Pei","Effect of anions on architectures of transition metal complexes with 1,4-bis(1,2,4-triazol-1-yl)butane","CrystEngComm","2011","13","22","6665","","10.1039/c1ce05491k","","","0.71073","MoKα","","0.0448","0.037","","","0.1059","0.1108","","","","","","1.111","","","","has coordinates,has disorder","180397","2020-10-21","18:00:00",""
"7206631","8.4528","0.0017","8.9701","0.0018","15.53","0.003","90","","104.559","0.003","90","","1139.7","0.4","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C8 H12 Cu N3 O4 -","- C8 H12 Cu N3 O4 -","- C32 H48 Cu4 N12 O16 -","4","1","","Li, Xia; Gu, Ya-Kun; Deng, Xue-Bin; Zhao, Kai; Jin, Lin-Pei","Effect of anions on architectures of transition metal complexes with 1,4-bis(1,2,4-triazol-1-yl)butane","CrystEngComm","2011","13","22","6665","","10.1039/c1ce05491k","","","0.71073","MoKα","","0.0522","0.0368","","","0.0847","0.0904","","","","","","1.082","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206632","8.9762","0.0007","11.3964","0.0008","12.7958","0.0014","107.173","0.001","103.271","0.002","104.545","0.001","1143.39","0.17","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H24 Co N9 O5 -","- C20 H24 Co N9 O5 -","- C40 H48 Co2 N18 O10 -","2","1","","Li, Xia; Gu, Ya-Kun; Deng, Xue-Bin; Zhao, Kai; Jin, Lin-Pei","Effect of anions on architectures of transition metal complexes with 1,4-bis(1,2,4-triazol-1-yl)butane","CrystEngComm","2011","13","22","6665","","10.1039/c1ce05491k","","","0.71073","MoKα","","0.049","0.0386","","","0.0927","0.0989","","","","","","1.038","","","","has coordinates,has disorder","180397","2020-10-21","18:00:00",""
"7206633","10.3892","0.0004","10.6944","0.0004","20.3245","0.0009","90","","90","","90","","2258.18","0.16","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H9 Cu N3 S2 -","- C9 H9 Cu N3 S2 -","- C72 H72 Cu8 N24 S16 -","8","1","","Qiao, Yong-Zhen; Yue, Jun-Ming; Liu, Xiu-Cun; Niu, Yun-Yin","Three novel cation-templated metal thiocyanates with 1-2D polypseudorotaxane frameworks","CrystEngComm","2011","13","22","6885","","10.1039/c1ce05528c","","","0.71073","MoKα","","0.0795","0.0316","","","0.0564","0.0611","","","","","","0.761","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206634","9.7369","0.0012","9.0907","0.0011","31.145","0.004","90","","91.659","0.001","90","","2755.7","0.6","291","2","291","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 Ag2 Br2 N6 S3 -","- C21 H21 Ag2 Br2 N6 S3 -","- C84 H84 Ag8 Br8 N24 S12 -","4","1","","Qiao, Yong-Zhen; Yue, Jun-Ming; Liu, Xiu-Cun; Niu, Yun-Yin","Three novel cation-templated metal thiocyanates with 1-2D polypseudorotaxane frameworks","CrystEngComm","2011","13","22","6885","","10.1039/c1ce05528c","","","0.71073","MoKα","","0.0441","0.0303","","","0.0652","0.0698","","","","","","1.025","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206635","12.929","0.0012","10.5303","0.0009","10.7521","0.001","90","","95.796","0.002","90","","1456.4","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 Cu2 N6 S4 -","- C24 H30 Cu2 N6 S4 -","- C48 H60 Cu4 N12 S8 -","2","0.5","","Qiao, Yong-Zhen; Yue, Jun-Ming; Liu, Xiu-Cun; Niu, Yun-Yin","Three novel cation-templated metal thiocyanates with 1-2D polypseudorotaxane frameworks","CrystEngComm","2011","13","22","6885","","10.1039/c1ce05528c","","","0.71073","MoKα","","0.0523","0.0414","","","0.1186","0.1237","","","","","","1.079","","","","has coordinates,has disorder","180397","2020-10-21","18:00:00",""
"7206636","9.1977","0.0001","8.2553","0.0001","23.7783","0.0004","90","","96.193","0.001","90","","1794.94","0.04","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Trimethoprim+2-aminoterephthalic acid","Trimethoprim+2-aminoterephthalic acid","","- C36 H43 N9 O10 -","- C36 H43 N9 O10 -","- C72 H86 N18 O20 -","2","0.5","","Delori, Amit; Jones, William","A hydrogen bonded cocrystal with an unusual interweaving between the adjacent triple-helices","CrystEngComm","2011","13","21","6315","","10.1039/c1ce05534h","","","0.7107","MoKα","","0.0819","0.0561","","","0.1334","0.146","","","","","","1.064","","","","has coordinates,has disorder","180397","2020-10-21","18:00:00",""
"7206637","17.835","0.004","12.421","0.003","19.029","0.004","90","","90","","90","","4215.5","1.6","298","2","298","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C37 H33 Ag5 N12 O14 -","- C37 H29 Ag5 N12 O14 -","- C148 H116 Ag20 N48 O56 -","4","0.5","","Cai, Song-Liang; Zheng, Sheng-Run; Tan, Jing-Bo; Pan, Mei; Fan, Jun; Zhang, Wei-Guang","An unprecedented supramolecular network with channels filled by 1D coordination polymer chains: Cocrystallization of Ag(i)-4,4′-bipyridine and Ag(i)-benzimidazole complexes","CrystEngComm","2011","13","21","6345","","10.1039/c1ce05535f","","","0.71073","MoKα","","0.1612","0.1085","","","0.3256","0.3678","","","","","","1.042","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206638","8.521","0.0017","5.2696","0.0011","7.724","0.0015","90","","90","","90","","346.83","0.12","296","2","296","2","360000","","","","","","","3","P 21 21 2","P 2 2ab","18","(±)-trans-1,2-Diaminocyclohexane","(±)-trans-1,2-Diaminocyclohexane","","- C6 H14 N2 -","- C6 H14 N2 -","- C12 H28 N4 -","2","0.5","","Cai, Weizhao; Katrusiak, Andrzej","Enantiomeric crystallization of (±)-trans-1,2-diaminocyclohexane under pressure","CrystEngComm","2011","13","22","6742","","10.1039/c1ce05553d","","","0.71073","MoKα","","0.0715","0.0535","","","0.1201","0.1278","","","","","","1.155","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206639","8.4","0.06","5.159","0.005","7.61","0.03","90","","90","","90","","330","3","296","2","296","2","520000","","","","","","","3","P 21 21 2","P 2 2ab","18","(±)-trans-1,2-Diaminocyclohexane","(±)-trans-1,2-Diaminocyclohexane","","- C6 H14 N2 -","- C6 H14 N2 -","- C12 H28 N4 -","2","0.5","","Cai, Weizhao; Katrusiak, Andrzej","Enantiomeric crystallization of (±)-trans-1,2-diaminocyclohexane under pressure","CrystEngComm","2011","13","22","6742","","10.1039/c1ce05553d","","","0.71073","MoKα","","0.4255","0.1889","","","0.3133","0.455","","","","","","1.144","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206640","8.345","0.008","5.15","0.007","7.558","0.01","90","","90","","90","","324.8","0.7","296","2","296","2","650000","","","","","","","3","P 21 21 2","P 2 2ab","18","(±)-trans-1,2-Diaminocyclohexane","(±)-trans-1,2-Diaminocyclohexane","","- C6 H14 N2 -","- C6 H14 N2 -","- C12 H28 N4 -","2","0.5","","Cai, Weizhao; Katrusiak, Andrzej","Enantiomeric crystallization of (±)-trans-1,2-diaminocyclohexane under pressure","CrystEngComm","2011","13","22","6742","","10.1039/c1ce05553d","","","0.71073","MoKα","","0.1395","0.0939","","","0.1492","0.1724","","","","","","1.139","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206641","8.2","0.013","5.13","0.03","7.4","0.02","90","","90","","90","","311","2","296","2","296","2","1190000","","","","","","","3","P 21 21 2","P 2 2ab","18","(±)-trans-1,2-Diaminocyclohexane","(±)-trans-1,2-Diaminocyclohexane","","- C6 H14 N2 -","- C6 H14 N2 -","- C12 H28 N4 -","2","0.5","","Cai, Weizhao; Katrusiak, Andrzej","Enantiomeric crystallization of (±)-trans-1,2-diaminocyclohexane under pressure","CrystEngComm","2011","13","22","6742","","10.1039/c1ce05553d","","","0.71073","MoKα","","0.3808","0.1269","","","0.1922","0.2649","","","","","","1.014","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206642","8.08","0.03","4.914","0.016","7.33","0.02","90","","90","","90","","291","1.6","296","2","296","2","2040000","","","","","","","3","P 21 21 2","P 2 2ab","18","(±)-trans-1,2-Diaminocyclohexane","(±)-trans-1,2-Diaminocyclohexane","","- C6 H14 N2 -","- C6 H14 N2 -","- C12 H28 N4 -","2","0.5","","Cai, Weizhao; Katrusiak, Andrzej","Enantiomeric crystallization of (±)-trans-1,2-diaminocyclohexane under pressure","CrystEngComm","2011","13","22","6742","","10.1039/c1ce05553d","","","0.71073","MoKα","","0.2368","0.1732","","","0.2397","0.2645","","","","","","1.198","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206643","3.881","0.004","7.532","0.008","31.35","0.03","90","","90.59","0.018","90","","916.4","1.6","300","2","300","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H8 O4 S4 -","- C22 H8 O4 S4 -","- C44 H16 O8 S8 -","2","0.5","","Otón, Francisco; Pfattner, Raphael; Pavlica, Egon; Olivier, Yoann; Bratina, Gvido; Cornil, Jérôme; Puigdollers, Joaquim; Alcubilla, Ramón; Fontrodona, Xavier; Mas-Torrent, Marta; Veciana, Jaume; Rovira, Concepció","Electronic and structural characterisation of a tetrathiafulvalene compound as a potential candidate for ambipolar transport properties","CrystEngComm","2011","13","22","6597","","10.1039/c1ce05559c","","","0.71073","MoKα","","0.2976","0.2174","","","0.4178","0.4364","","","","","","1.876","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206644","9.751","0.002","20.573","0.004","13.834","0.005","90","","114.75","0.02","90","","2520.3","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 Mn N5 O5 -","- C26 H19 Mn N5 O5 -","- C104 H76 Mn4 N20 O20 -","4","1","","Huang, Fu-Ping; Bian, He-Dong; Yu, Qing; Tian, Jin-Lei; Liang, Hong; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Coordination assemblies of Coii/Niii/Mnii/Znii with 1,1′-biphenyl-2,2′-dicarboxylic acid and three positional isomeric ligands: structural diversity and properties","CrystEngComm","2011","13","21","6538","","10.1039/c1ce05562c","","","0.71073","MoKα","","0.1944","0.102","","","0.1546","0.1869","","","","","","1.027","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206645","9.058","0.0018","20.067","0.004","12.886","0.003","90","","106.79","0.03","90","","2242.4","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H19 N5 Ni O5 -","- C26 H19 N5 Ni O5 -","- C104 H76 N20 Ni4 O20 -","4","1","","Huang, Fu-Ping; Bian, He-Dong; Yu, Qing; Tian, Jin-Lei; Liang, Hong; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Coordination assemblies of Coii/Niii/Mnii/Znii with 1,1′-biphenyl-2,2′-dicarboxylic acid and three positional isomeric ligands: structural diversity and properties","CrystEngComm","2011","13","21","6538","","10.1039/c1ce05562c","","","0.71073","MoKα","","0.1221","0.0833","","","0.1462","0.1626","","","","","","1.03","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206646","9.058","0.0018","20.067","0.004","12.886","0.003","90","","106.79","0.03","90","","2242.4","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H19 N5 O5 Zn -","- C26 H19 N5 O5 Zn -","- C104 H76 N20 O20 Zn4 -","4","1","","Huang, Fu-Ping; Bian, He-Dong; Yu, Qing; Tian, Jin-Lei; Liang, Hong; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Coordination assemblies of Coii/Niii/Mnii/Znii with 1,1′-biphenyl-2,2′-dicarboxylic acid and three positional isomeric ligands: structural diversity and properties","CrystEngComm","2011","13","21","6538","","10.1039/c1ce05562c","","","0.71073","MoKα","","0.0734","0.0562","","","0.1267","0.1369","","","","","","1.012","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206647","9.456","0.0019","20.106","0.004","12.865","0.003","90","","106.81","0.03","90","","2341.4","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H19 Co N5 O5 -","- C26 H19 Co N5 O5 -","- C104 H76 Co4 N20 O20 -","4","1","","Huang, Fu-Ping; Bian, He-Dong; Yu, Qing; Tian, Jin-Lei; Liang, Hong; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Coordination assemblies of Coii/Niii/Mnii/Znii with 1,1′-biphenyl-2,2′-dicarboxylic acid and three positional isomeric ligands: structural diversity and properties","CrystEngComm","2011","13","21","6538","","10.1039/c1ce05562c","","","0.71073","MoKα","","0.0984","0.0652","","","0.1063","0.1166","","","","","","1.045","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206648","9.138","0.0018","11.366","0.002","12.541","0.003","66.69","0.03","85.9","0.03","85.13","0.03","1190.9","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H40 N10 O12 Zn3 -","- C52 H40 N10 O12 Zn3 -","- C52 H40 N10 O12 Zn3 -","1","0.5","","Huang, Fu-Ping; Bian, He-Dong; Yu, Qing; Tian, Jin-Lei; Liang, Hong; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Coordination assemblies of Coii/Niii/Mnii/Znii with 1,1′-biphenyl-2,2′-dicarboxylic acid and three positional isomeric ligands: structural diversity and properties","CrystEngComm","2011","13","21","6538","","10.1039/c1ce05562c","","","0.71073","MoKα","","0.1423","0.1186","","","0.2743","0.2865","","","","","","1.014","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206649","9.85","0.002","11.721","0.002","12.217","0.002","103.76","0.03","102.53","0.03","94.49","0.03","1324.8","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H25 Co N5 O6 -","- C28 H25 Co N5 O6 -","- C56 H50 Co2 N10 O12 -","2","1","","Huang, Fu-Ping; Bian, He-Dong; Yu, Qing; Tian, Jin-Lei; Liang, Hong; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Coordination assemblies of Coii/Niii/Mnii/Znii with 1,1′-biphenyl-2,2′-dicarboxylic acid and three positional isomeric ligands: structural diversity and properties","CrystEngComm","2011","13","21","6538","","10.1039/c1ce05562c","","","0.71073","MoKα","","0.0633","0.0474","","","0.1017","0.1083","","","","","","1.082","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206650","10.399","0.002","10.583","0.002","23.268","0.005","90","","101.25","0.03","90","","2511.5","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23 Cu N5 O7 -","- C26 H19 Cu N5 O7 -","- C104 H76 Cu4 N20 O28 -","4","1","","Huang, Fu-Ping; Bian, He-Dong; Yu, Qing; Tian, Jin-Lei; Liang, Hong; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Coordination assemblies of Coii/Niii/Mnii/Znii with 1,1′-biphenyl-2,2′-dicarboxylic acid and three positional isomeric ligands: structural diversity and properties","CrystEngComm","2011","13","21","6538","","10.1039/c1ce05562c","","","0.71073","MoKα","","0.1182","0.0832","","","0.154","0.1682","","","","","","1.01","","","","has coordinates,has disorder","180397","2020-10-21","18:00:00",""
"7206651","9.687","0.0019","11.87","0.002","12.456","0.003","100.03","0.03","99.52","0.03","97.24","0.03","1373.1","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H52 N10 Ni2 O17 -","- C52 H42 N10 Ni2 O17 -","- C52 H42 N10 Ni2 O17 -","1","0.5","","Huang, Fu-Ping; Bian, He-Dong; Yu, Qing; Tian, Jin-Lei; Liang, Hong; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Coordination assemblies of Coii/Niii/Mnii/Znii with 1,1′-biphenyl-2,2′-dicarboxylic acid and three positional isomeric ligands: structural diversity and properties","CrystEngComm","2011","13","21","6538","","10.1039/c1ce05562c","","","0.71073","MoKα","","0.148","0.0907","","","0.1937","0.228","","","","","","0.993","","","","has coordinates,has disorder","180397","2020-10-21","18:00:00",""
"7206652","22.4693","0.0015","14.3685","0.0009","21.7069","0.0016","90","","109.168","0.001","90","","6619.5","0.8","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C72 H51 Cu6 N15 -","- C72 H51 Cu6 N15 -","- C288 H204 Cu24 N60 -","4","0.5","","Li, Xin-Zhi; Zhou, Xiao-Ping; Li, Dan; Yin, Ye-Gao","Controlling interpenetration in CuCN coordination polymers by size of the pendant substituents of terpyridine ligands","CrystEngComm","2011","13","22","6759","","10.1039/c1ce05565h","","","0.71073","MoKα","","0.0887","0.0473","","","0.093","0.1099","","","","","","1.006","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206653","22.7172","0.001","14.5191","0.0007","21.7987","0.001","90","","108.788","0.001","90","","6806.8","0.5","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C75 H57 Cu6 N15 -","- C75 H57 Cu6 N15 -","- C300 H228 Cu24 N60 -","4","0.5","","Li, Xin-Zhi; Zhou, Xiao-Ping; Li, Dan; Yin, Ye-Gao","Controlling interpenetration in CuCN coordination polymers by size of the pendant substituents of terpyridine ligands","CrystEngComm","2011","13","22","6759","","10.1039/c1ce05565h","","","0.71073","MoKα","","0.0631","0.04","","","0.0996","0.1157","","","","","","1.002","","","","has coordinates,has disorder","180397","2020-10-21","18:00:00",""
"7206654","23.568","0.003","14.2616","0.0016","24.342","0.004","90","","118.922","0.002","90","","7161.3","1.7","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C78 H63 Cu6 N15 -","- C78 H63 Cu6 N15 -","- C312 H252 Cu24 N60 -","4","1","","Li, Xin-Zhi; Zhou, Xiao-Ping; Li, Dan; Yin, Ye-Gao","Controlling interpenetration in CuCN coordination polymers by size of the pendant substituents of terpyridine ligands","CrystEngComm","2011","13","22","6759","","10.1039/c1ce05565h","","","0.71073","MoKα","","0.1133","0.0604","","","0.1462","0.1886","","","","","","1.001","","","","has coordinates,has disorder","180397","2020-10-21","18:00:00",""
"7206655","32.9876","0.0014","15.2044","0.0006","15.3966","0.0006","90","","90","","90","","7722.3","0.5","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C87 H61 Cu6 N15 O2 -","- C87 H57 Cu6 N15 -","- C348 H228 Cu24 N60 -","4","0.5","","Li, Xin-Zhi; Zhou, Xiao-Ping; Li, Dan; Yin, Ye-Gao","Controlling interpenetration in CuCN coordination polymers by size of the pendant substituents of terpyridine ligands","CrystEngComm","2011","13","22","6759","","10.1039/c1ce05565h","","","0.71073","MoKα","","0.0885","0.0492","","","0.1225","0.139","","","","","","0.985","","","","has coordinates,has disorder","180397","2020-10-21","18:00:00",""
"7206656","7.9753","0.0004","10.7633","0.0006","29.7359","0.0011","86.267","0.002","46.207","0.002","72.569","0.002","1720.05","0.16","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H29 N4 Ni O4 S2 -","- C41 H29 N4 Ni O4 S2 -","- C82 H58 N8 Ni2 O8 S4 -","2","1","","Sekiya, Ryo; Nishikiori, Shin-ichi","Synthesis, X-ray crystal structures and inclusion properties of a hydrogen-bonded coordination polymer [Ni(SCN)2(pppeH)2]·(guest)x","CrystEngComm","2011","13","21","6405","","10.1039/c1ce05566f","","x-ray","0.71069","MoKα","","0.0634","0.0433","","","0.1246","0.1463","","","","","","1.028","","","","has coordinates,has disorder","180397","2020-10-21","18:00:00",""
"7206657","7.8922","0.0001","10.708","0.0002","29.755","0.0007","91.061","0.001","46.772","0.002","74.875","0.001","1697.79","0.09","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H27 Br N4 Ni O6 S2 -","- C37 H27 Br N4 Ni O6 S2 -","- C74 H54 Br2 N8 Ni2 O12 S4 -","2","1","","Sekiya, Ryo; Nishikiori, Shin-ichi","Synthesis, X-ray crystal structures and inclusion properties of a hydrogen-bonded coordination polymer [Ni(SCN)2(pppeH)2]·(guest)x","CrystEngComm","2011","13","21","6405","","10.1039/c1ce05566f","","x-ray","0.71069","MoKα","","0.087","0.0507","","","0.1286","0.1488","","","","","","1.031","","","","has coordinates,has disorder","180397","2020-10-21","18:00:00",""
"7206658","10.268","0.002","11.0835","0.0007","28.807","0.004","87.171","0.012","35.532","0.007","84.06","0.01","1891.6","0.6","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H30 Br2 N4 Ni O4 S2 -","- C42 H30 Br2 N4 Ni O4 S2 -","- C84 H60 Br4 N8 Ni2 O8 S4 -","2","1","","Sekiya, Ryo; Nishikiori, Shin-ichi","Synthesis, X-ray crystal structures and inclusion properties of a hydrogen-bonded coordination polymer [Ni(SCN)2(pppeH)2]·(guest)x","CrystEngComm","2011","13","21","6405","","10.1039/c1ce05566f","","x-ray","0.71069","MoKα","","0.0783","0.0437","","","0.1048","0.124","","","","","","1.033","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206659","9.0241","0.0018","11.139","0.002","29.368","0.005","73.49","0.02","32.633","0.009","62.65","0.03","1381.1","0.9","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H22 N4 Ni O4 S2 -","- C30 H22 N4 Ni O4 S2 -","- C60 H44 N8 Ni2 O8 S4 -","2","1","","Sekiya, Ryo; Nishikiori, Shin-ichi","Synthesis, X-ray crystal structures and inclusion properties of a hydrogen-bonded coordination polymer [Ni(SCN)2(pppeH)2]·(guest)x","CrystEngComm","2011","13","21","6405","","10.1039/c1ce05566f","","x-ray","0.71069","MoKα","","0.0656","0.0382","","","0.0918","0.1006","","","","","","1.001","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206660","5.068","0.0003","11.0147","0.0007","20.8655","0.0013","81.306","0.003","89.114","0.003","80.325","0.003","1134.95","0.12","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H60 Cu2 N4 O30 S4 -","- C24 H60 Cu2 N4 O30 S4 -","- C24 H60 Cu2 N4 O30 S4 -","1","0.5","","Park, In-Hyeok; Lee, Shim Sung","Networking of macrocycles: 1D and 2D coordination polymers of dithia-18-crown-6 with copper(ii) and copper(i)","CrystEngComm","2011","13","21","6520","","10.1039/c1ce05587a","","","0.71073","MoKα","","0.0563","0.0515","","","0.1338","0.138","","","","","","1.085","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206661","8.3361","0.0007","10.7845","0.0009","12.6902","0.0016","104.841","0.005","104.913","0.006","105.793","0.004","993.4","0.18","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C24 H48 Cu4 I4 O8 S4 -","- C24 H48 Cu4 I4 O8 S4 -","- C24 H48 Cu4 I4 O8 S4 -","1","1","","Park, In-Hyeok; Lee, Shim Sung","Networking of macrocycles: 1D and 2D coordination polymers of dithia-18-crown-6 with copper(ii) and copper(i)","CrystEngComm","2011","13","21","6520","","10.1039/c1ce05587a","","","0.71073","MoKα","","0.0533","0.0402","","","0.0906","0.1051","","","","","","1.032","","","","has coordinates,has disorder","180397","2020-10-21","18:00:00",""
"7206662","9.3053","0.0004","10.177","0.0004","13.6897","0.0006","86.972","0.002","89.543","0.002","64.397","0.002","1167.33","0.09","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C24 H62 Cl2 Co Cu2 I2 O23 S4 -","- C24 H62 Cl2 Co Cu2 I2 O23 S4 -","- C24 H62 Cl2 Co Cu2 I2 O23 S4 -","1","0.5","","Park, In-Hyeok; Lee, Shim Sung","Networking of macrocycles: 1D and 2D coordination polymers of dithia-18-crown-6 with copper(ii) and copper(i)","CrystEngComm","2011","13","21","6520","","10.1039/c1ce05587a","","","0.71073","MoKα","","0.0227","0.0208","","","0.0534","0.0549","","","","","","1.049","","","","has coordinates,has disorder","180397","2020-10-21","18:00:00",""
"7206663","19.2774","0.0008","20.9886","0.0007","43.284","0.0016","90","","90","","90","","17513","1.1","293","2","293","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C18.5 H19.5 N2.5 O7.5 S Zn -","- C17 H12 N2 O5 S Zn -","- C544 H384 N64 O160 S32 Zn32 -","32","1","","Bu, Yang; Jiang, Feilong; Zhang, Shuquan; Ma, Jie; Li, Xingjun; Hong, Maochun","Topological variability of Zn(ii) and Co(ii) 3D coordination polymers obtained through solvothermal in situ disulfide cleavage","CrystEngComm","2011","13","21","6323","","10.1039/c1ce05592e","","","0.71073","MoKα","","0.0513","0.046","","","0.1401","0.1466","","","","","","1.025","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206664","11.4284","0.0007","11.4284","0.0007","30.743","0.004","90","","90","","120","","3477.3","0.5","298","2","298","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C20 H21 Co N3 O7 S -","- C20 H21 Co N3 O7 S -","- C120 H126 Co6 N18 O42 S6 -","6","1","","Bu, Yang; Jiang, Feilong; Zhang, Shuquan; Ma, Jie; Li, Xingjun; Hong, Maochun","Topological variability of Zn(ii) and Co(ii) 3D coordination polymers obtained through solvothermal in situ disulfide cleavage","CrystEngComm","2011","13","21","6323","","10.1039/c1ce05592e","","","0.71073","MoKα","","0.0535","0.0469","","","0.1218","0.1273","","","","","","1.024","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206665","14.628","0.0016","11.6031","0.0011","22.004","0.003","90","","116.141","0.009","90","","3352.7","0.7","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H36 N10 Ni4 O27 -","- C58 H36 N10 Ni4 O27 -","- C116 H72 N20 Ni8 O54 -","2","0.5","","Calderón-Casado, Ainhoa; Barandika, Gotzone; Bazán, Begoña; Urtiaga, Miren-Karmele; Vallcorba, Oriol; Rius, Jordi; Miravittles, Carles; Arriortua, María-Isabel","Solid-state transformation of the MOF [Ni2(bipy)1.5(PDC)2(H2O)2]·3.5H2O","CrystEngComm","2011","13","22","6831","","10.1039/c1ce05594a","","","0.71073","MoKα","","0.1572","0.0573","","","0.0827","0.0978","","","","","","0.744","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206666","13.6038","0.0007","10.8508","0.0007","19.3004","0.0012","90","","95.047","0.004","90","","2837.9","0.3","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H17 N5 Ni2 O9 -","- C29 H18 N5 Ni2 O9 -","- C116 H72 N20 Ni8 O36 -","4","1","","Calderón-Casado, Ainhoa; Barandika, Gotzone; Bazán, Begoña; Urtiaga, Miren-Karmele; Vallcorba, Oriol; Rius, Jordi; Miravittles, Carles; Arriortua, María-Isabel","Solid-state transformation of the MOF [Ni2(bipy)1.5(PDC)2(H2O)2]·3.5H2O","CrystEngComm","2011","13","22","6831","","10.1039/c1ce05594a","","","","","","","","","","","","","","","","","","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206667","7.2482","0.001","7.5827","0.001","12.2794","0.0016","77.826","0.002","84.096","0.002","63.018","0.002","587.88","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Anthranilic acid Pyrazinamide","2-Aminobenzoic acid Pyrazinecarboxamide","","- C12 H12 N4 O3 -","- C12 H12 N4 O3 -","- C24 H24 N8 O6 -","2","1","","Abourahma, Heba; Cocuzza, Devon S.; Melendez, Jesus; Urban, Jennifer M.","Pyrazinamide cocrystals and the search for polymorphs","CrystEngComm","2011","13","21","6442","","10.1039/c1ce05598d","","","0.71073","MoKα","","0.0877","0.0471","","","0.1132","0.1338","","","","","","1.018","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206668","10.9374","0.0002","10.9374","0.0002","21.0837","0.0008","90","","90","","120","","2184.27","0.1","296","2","296","2","","","","","","","","4","P 65","P 65","170","","","","- C12 H19 Gd O7 -","- C12 H17 Gd O7 -","- C72 H102 Gd6 O42 -","6","1","","Song, Yu-mei; Huang, Hai-xiao; Sun, Gong-ming; Liao, Zhen-wei; Luo, Ming-biao; Liu, Shu-juan; Luo, Feng","Multi-functional magnetic, ferroelectric, and fluorescent homochiral lanthanide (Ln)‒camphorate compounds built on helical {Ln‒O}n inorganic substructures","CrystEngComm","2011","13","22","6827","","10.1039/c1ce05604b","","","0.71073","MoKα","","0.0197","0.0191","","","0.04","0.0404","","","","","","1.136","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206669","10.9106","0.0002","10.9106","0.0002","20.9713","0.0007","90","","90","","120","","2161.99","0.09","296","2","296","2","","","","","","","","4","P 65","P 65","170","","","","- C12 H19 O7 Tb -","- C12 H17 O7 Tb -","- C72 H102 O42 Tb6 -","6","1","","Song, Yu-mei; Huang, Hai-xiao; Sun, Gong-ming; Liao, Zhen-wei; Luo, Ming-biao; Liu, Shu-juan; Luo, Feng","Multi-functional magnetic, ferroelectric, and fluorescent homochiral lanthanide (Ln)‒camphorate compounds built on helical {Ln‒O}n inorganic substructures","CrystEngComm","2011","13","22","6827","","10.1039/c1ce05604b","","","0.71073","MoKα","","0.0209","0.0203","","","0.0465","0.0469","","","","","","1.074","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206670","10.9445","0.0001","10.9445","0.0001","21.1465","0.0005","90","","90","","120","","2193.62","0.06","296","2","296","2","","","","","","","","4","P 65","P 65","170","","","","- C12 H19 Eu O7 -","- C12 H19 Eu O7 -","- C72 H114 Eu6 O42 -","6","1","","Song, Yu-mei; Huang, Hai-xiao; Sun, Gong-ming; Liao, Zhen-wei; Luo, Ming-biao; Liu, Shu-juan; Luo, Feng","Multi-functional magnetic, ferroelectric, and fluorescent homochiral lanthanide (Ln)‒camphorate compounds built on helical {Ln‒O}n inorganic substructures","CrystEngComm","2011","13","22","6827","","10.1039/c1ce05604b","","","0.71073","MoKα","","0.0193","0.0185","","","0.0418","0.0424","","","","","","1.104","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206671","10.8956","0.0002","10.8956","0.0002","20.9289","0.0012","90","","90","","120","","2151.69","0.14","296","2","296","2","","","","","","","","4","P 65","P 65","170","","","","- C12 H19 Dy O7 -","- C12 H17 Dy O7 -","- C72 H102 Dy6 O42 -","6","1","","Song, Yu-mei; Huang, Hai-xiao; Sun, Gong-ming; Liao, Zhen-wei; Luo, Ming-biao; Liu, Shu-juan; Luo, Feng","Multi-functional magnetic, ferroelectric, and fluorescent homochiral lanthanide (Ln)‒camphorate compounds built on helical {Ln‒O}n inorganic substructures","CrystEngComm","2011","13","22","6827","","10.1039/c1ce05604b","","","0.71073","MoKα","","0.0244","0.0213","","","0.0372","0.0379","","","","","","1.058","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206672","6.4294","0.0008","20.626","0.003","11.6196","0.0011","90","","90.708","0.004","90","","1540.8","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","catena-((mu2-biphenyl-4,4'-dicarboxylate)-(bis(mu3-1,3,5- triaza-7-phosphaadamantane)) -disilver(i)-dihydrate)","catena-((μ2-biphenyl-4,4'-dicarboxylate)- (bis(μ3-1,3,5-triaza-7-phosphaadamantane)) -disilver(I)-dihydrate)","","- C13 H20 Ag N3 O4 P -","- C13 H20 Ag N3 O4 P -","- C52 H80 Ag4 N12 O16 P4 -","4","1","","Kirillov, Alexander M.; Wieczorek, Sabina W.; Guedes da Silva, M. Fátima C.; Sokolnicki, Jerzy; Smoleński, Piotr; Pombeiro, Armando J. L.","Crystal engineering with 1,3,5-triaza-7-phosphaadamantane (PTA): first PTA-driven 3D metal‒organic frameworks","CrystEngComm","2011","13","21","6329","","10.1039/c1ce05612c","","","0.71073","MoKα","","0.0891","0.0461","","","0.0752","0.0867","","","","","","0.97","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206673","11.7271","0.0002","11.7707","0.0002","18.2633","0.0004","90","","98.704","0.001","90","","2491.96","0.08","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","catena-((mu4-phenyl-1,2,4,5-tetracarboxylate) -bis(mu2-1,3,5- triaza-7-phosphaadamantane) -bis(mu3-1,3,5-triaza-7-phosphaadamantane) - tetrasilver(i)-octahydrate)","catena-((μ4-phenyl-1,2,4,5-tetracarboxylate) -bis(μ2-1,3,5-triaza-7-phosphaadamantane) -bis(μ3-1,3,5-triaza-7-phosphaadamantane) -tetrasilver(I)-octahydrate)","","- C34 H50 Ag4 N12 O8 P4 -","- C34 H50 Ag4 N12 O8 P4 -","- C68 H100 Ag8 N24 O16 P8 -","2","1","","Kirillov, Alexander M.; Wieczorek, Sabina W.; Guedes da Silva, M. Fátima C.; Sokolnicki, Jerzy; Smoleński, Piotr; Pombeiro, Armando J. L.","Crystal engineering with 1,3,5-triaza-7-phosphaadamantane (PTA): first PTA-driven 3D metal‒organic frameworks","CrystEngComm","2011","13","21","6329","","10.1039/c1ce05612c","","","0.71069","MoKα","","0.0457","0.0376","","","0.1035","0.1085","","","","","","0.999","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206674","8.1689","0.0006","8.3465","0.0006","9.7857","0.0008","113.114","0.007","98.197","0.007","99.316","0.006","589.73","0.09","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H12 N8 O5 -","- C8 H12 N8 O5 -","- C16 H24 N16 O10 -","2","1","","Xu, Hao-Ran; Zhang, Qian-Chong; Ren, Yan-Ping; Zhao, Hai-Xia; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","The influence of water on dielectric property in cocrystal compound of [orotic acid][melamine]·H2O","CrystEngComm","2011","13","21","6361","","10.1039/c1ce05623a","","","0.71073","MoKα","","0.0469","0.0368","","","0.1036","0.1073","","","","","","1.084","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206675","8.196","0.0006","8.3777","0.0007","9.7987","0.0008","113.233","0.007","97.935","0.006","99.632","0.006","593.88","0.09","265","2","265","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H12 N8 O5 -","- C8 H12 N8 O5 -","- C16 H24 N16 O10 -","2","1","","Xu, Hao-Ran; Zhang, Qian-Chong; Ren, Yan-Ping; Zhao, Hai-Xia; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","The influence of water on dielectric property in cocrystal compound of [orotic acid][melamine]·H2O","CrystEngComm","2011","13","21","6361","","10.1039/c1ce05623a","","","0.71073","MoKα","","0.0495","0.0388","","","0.1077","0.1117","","","","","","1.053","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206676","8.2133","0.0006","8.3969","0.0007","9.8069","0.0008","113.304","0.008","97.788","0.007","99.804","0.007","596.52","0.1","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H12 N8 O5 -","- C8 H12 N8 O5 -","- C16 H24 N16 O10 -","2","1","","Xu, Hao-Ran; Zhang, Qian-Chong; Ren, Yan-Ping; Zhao, Hai-Xia; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","The influence of water on dielectric property in cocrystal compound of [orotic acid][melamine]·H2O","CrystEngComm","2011","13","21","6361","","10.1039/c1ce05623a","","","0.71073","MoKα","","0.049","0.0382","","","0.1074","0.1114","","","","","","1.061","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206677","8.457","0.005","8.555","0.004","9.024","0.005","73.9","0.03","81.76","0.04","65.32","0.02","569.7","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H22 Cd2 Cl4 N4 O2 -","- C14 H22 Cd2 Cl4 N4 O2 -","- C14 H22 Cd2 Cl4 N4 O2 -","1","0.5","","Guerrero, Miguel; Pons, Josefina; Ros, Josep; Font-Bardia, Mercè; Vallcorba, Oriol; Rius, Jordi; Branchadell, Vicenç; Merkoçi, Arben","Variable behaviour of flexible N,O-mixed pyrazole ligand towards Zn(ii), Cd(ii) and Hg(ii) ions. Synthesis, crystal structure and fluorescent properties","CrystEngComm","2011","13","21","6457","","10.1039/c1ce05626c","","","0.71073","MoKα","","0.0371","0.0347","","","0.1081","0.1146","","","","","","1.232","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206678","14.691","0.006","7.384","0.005","20.279","0.009","90","","90","","90","","2200","2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C7 H12 Cl2 Hg N2 O -","- C7 H12 Cl2 Hg N2 O -","- C56 H96 Cl16 Hg8 N16 O8 -","8","1","","Guerrero, Miguel; Pons, Josefina; Ros, Josep; Font-Bardia, Mercè; Vallcorba, Oriol; Rius, Jordi; Branchadell, Vicenç; Merkoçi, Arben","Variable behaviour of flexible N,O-mixed pyrazole ligand towards Zn(ii), Cd(ii) and Hg(ii) ions. Synthesis, crystal structure and fluorescent properties","CrystEngComm","2011","13","21","6457","","10.1039/c1ce05626c","","","0.71073","MoKα","","0.0451","0.045","","","0.1167","0.1168","","","","","","1.196","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206679","7.9451","0.0016","8.6039","0.0017","8.71","0.0017","64.75","0.03","73.33","0.03","63.46","0.03","478.3","0.2","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H20 N6 O6 -","- C18 H20 N6 O6 -","- C18 H20 N6 O6 -","1","0.5","","Deng, Zhao-Peng; Qi, Hui-Ling; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Inorganic anion induced supramolecular architectures and luminescent properties of flexible bis(pyridyl) based ionic salts","CrystEngComm","2011","13","22","6632","","10.1039/c1ce05628j","","","0.71073","MoKα","","0.149","0.0672","","","0.1495","0.1877","","","","","","1.058","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206680","5.0087","0.001","15.303","0.004","12.989","0.004","90","","107.44","0.03","90","","949.8","0.5","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 N6 O6 -","- C18 H20 N6 O6 -","- C36 H40 N12 O12 -","2","0.5","","Deng, Zhao-Peng; Qi, Hui-Ling; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Inorganic anion induced supramolecular architectures and luminescent properties of flexible bis(pyridyl) based ionic salts","CrystEngComm","2011","13","22","6632","","10.1039/c1ce05628j","","","0.71073","MoKα","","0.0823","0.0462","","","0.1142","0.1572","","","","","","1.035","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206681","14.556","0.003","9.1625","0.0018","16.157","0.003","90","","116.29","0.03","90","","1932","0.8","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H20 N6 O6 -","- C18 H20 N6 O6 -","- C72 H80 N24 O24 -","4","0.5","","Deng, Zhao-Peng; Qi, Hui-Ling; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Inorganic anion induced supramolecular architectures and luminescent properties of flexible bis(pyridyl) based ionic salts","CrystEngComm","2011","13","22","6632","","10.1039/c1ce05628j","","","0.71073","MoKα","","0.0911","0.0549","","","0.1586","0.1867","","","","","","1.09","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206682","8.2787","0.0017","16.705","0.003","13.977","0.003","90","","98.07","0.03","90","","1913.8","0.7","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 N6 O6 -","- C18 H20 N6 O6 -","- C72 H80 N24 O24 -","4","1","","Deng, Zhao-Peng; Qi, Hui-Ling; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Inorganic anion induced supramolecular architectures and luminescent properties of flexible bis(pyridyl) based ionic salts","CrystEngComm","2011","13","22","6632","","10.1039/c1ce05628j","","","0.71073","MoKα","","0.1954","0.0899","","","0.1716","0.2192","","","","","","1.039","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206683","5.635","0.0011","11.689","0.002","15.962","0.003","90","","97.04","0.03","90","","1043.5","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Cl2 N4 O8 -","- C18 H20 Cl2 N4 O8 -","- C36 H40 Cl4 N8 O16 -","2","0.5","","Deng, Zhao-Peng; Qi, Hui-Ling; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Inorganic anion induced supramolecular architectures and luminescent properties of flexible bis(pyridyl) based ionic salts","CrystEngComm","2011","13","22","6632","","10.1039/c1ce05628j","","","0.71073","MoKα","","0.1729","0.0833","","","0.1671","0.2303","","","","","","1.081","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206684","4.9429","0.001","15.579","0.003","13.581","0.003","90","","91.78","0.03","90","","1045.3","0.4","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Cl2 N4 O8 -","- C18 H20 Cl2 N4 O8 -","- C36 H40 Cl4 N8 O16 -","2","0.5","","Deng, Zhao-Peng; Qi, Hui-Ling; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Inorganic anion induced supramolecular architectures and luminescent properties of flexible bis(pyridyl) based ionic salts","CrystEngComm","2011","13","22","6632","","10.1039/c1ce05628j","","","0.71073","MoKα","","0.0793","0.0496","","","0.1243","0.1675","","","","","","1.096","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206685","14.917","0.003","9.4759","0.0019","16.141","0.003","90","","111.52","0.03","90","","2122.5","0.8","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H20 Cl2 N4 O8 -","- C18 H20 Cl2 N4 O8 -","- C72 H80 Cl8 N16 O32 -","4","0.5","","Deng, Zhao-Peng; Qi, Hui-Ling; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Inorganic anion induced supramolecular architectures and luminescent properties of flexible bis(pyridyl) based ionic salts","CrystEngComm","2011","13","22","6632","","10.1039/c1ce05628j","","","0.71073","MoKα","","0.128","0.0566","","","0.0988","0.1171","","","","","","1.002","","","","has coordinates,has disorder","180397","2020-10-21","18:00:00",""
"7206686","5.0052","0.001","20.411","0.004","20.976","0.004","90","","94.02","0.03","90","","2137.7","0.7","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Cl2 N4 O8 -","- C18 H20 Cl2 N4 O8 -","- C72 H80 Cl8 N16 O32 -","4","1","","Deng, Zhao-Peng; Qi, Hui-Ling; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Inorganic anion induced supramolecular architectures and luminescent properties of flexible bis(pyridyl) based ionic salts","CrystEngComm","2011","13","22","6632","","10.1039/c1ce05628j","","","0.71073","MoKα","","0.2324","0.079","","","0.1207","0.1589","","","","","","1.022","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206687","7.621","0.003","8.204","0.004","11.956","0.005","77.163","0.008","88.414","0.008","80.874","0.008","719.6","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C5 H14 Cu2 N14 -","- C5 H14 Cu2 N14 -","- C10 H28 Cu4 N28 -","2","1","","Gu, Zhi-Guo; Na, Jing-Jing; Wang, Bao-Xiang; Xiao, Hong-Ping; Li, Zaijun","Novel copper-azido magnetic molecular tapes: syntheses, structures, and magnetic properties","CrystEngComm","2011","13","21","6415","","10.1039/c1ce05631j","","","0.71073","MoKα","","0.0665","0.0577","","","0.1393","0.1452","","","","","","1.182","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206688","7.675","0.002","8.264","0.002","12.511","0.003","104.78","0.004","90.05","0.005","98.076","0.004","759.1","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H16 Cu2 N14 -","- C6 H16 Cu2 N14 -","- C12 H32 Cu4 N28 -","2","1","","Gu, Zhi-Guo; Na, Jing-Jing; Wang, Bao-Xiang; Xiao, Hong-Ping; Li, Zaijun","Novel copper-azido magnetic molecular tapes: syntheses, structures, and magnetic properties","CrystEngComm","2011","13","21","6415","","10.1039/c1ce05631j","","","0.71073","MoKα","","0.0704","0.0603","","","0.1592","0.167","","","","","","1.024","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206689","8.022","0.0016","22.375","0.003","13.5792","0.0016","90","","121.182","0.007","90","","2085.2","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H18 Cu3 N22 -","- C6 H18 Cu3 N22 -","- C24 H72 Cu12 N88 -","4","1","","Gu, Zhi-Guo; Na, Jing-Jing; Wang, Bao-Xiang; Xiao, Hong-Ping; Li, Zaijun","Novel copper-azido magnetic molecular tapes: syntheses, structures, and magnetic properties","CrystEngComm","2011","13","21","6415","","10.1039/c1ce05631j","","","0.71073","MoKα","","0.0653","0.0487","","","0.1142","0.1191","","","","","","1.091","","","","has coordinates,has disorder","180397","2020-10-21","18:00:00",""
"7206690","10.7103","0.0009","11.2561","0.001","11.9413","0.0017","109.829","0.001","96.517","0.001","116.317","0.001","1152.9","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H14 Cu2 Mo4 N9 O14 -","- C9 H12 Cu2 Mo4 N9 O14 -","- C18 H24 Cu4 Mo8 N18 O28 -","2","1","","Tian, Ai-xiang; Liu, Xiao-jing; Ying, Jun; Zhu, Dong-xia; Wang, Xiu-li; Peng, Jun","A series of organopolymolybdate polymers linked by dual fuses: metal‒organic moiety and organic ligand through Mo‒N bonds","CrystEngComm","2011","13","22","6680","","10.1039/c1ce05649b","","","0.71073","MoKα","","0.0437","0.0335","","","0.0756","0.0809","","","","","","0.971","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206691","10.6009","0.001","12.2124","0.0012","13.7623","0.0014","72.12","0.001","68.478","0.001","87.325","0.001","1573","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H28 Cu Mo4 N12 O15 -","- C16 H24 Cu Mo4 N12 O15 -","- C32 H48 Cu2 Mo8 N24 O30 -","2","1","","Tian, Ai-xiang; Liu, Xiao-jing; Ying, Jun; Zhu, Dong-xia; Wang, Xiu-li; Peng, Jun","A series of organopolymolybdate polymers linked by dual fuses: metal‒organic moiety and organic ligand through Mo‒N bonds","CrystEngComm","2011","13","22","6680","","10.1039/c1ce05649b","","","0.71073","MoKα","","0.058","0.0377","","","0.0855","0.0942","","","","","","1.034","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206692","14.5811","0.0009","11.2874","0.0007","15.849","0.0009","90","","106.046","0.001","90","","2506.8","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 Cu Mo4 N6 O15 -","- C12 H12 Cu Mo4 N6 O15 -","- C48 H48 Cu4 Mo16 N24 O60 -","4","1","","Tian, Ai-xiang; Liu, Xiao-jing; Ying, Jun; Zhu, Dong-xia; Wang, Xiu-li; Peng, Jun","A series of organopolymolybdate polymers linked by dual fuses: metal‒organic moiety and organic ligand through Mo‒N bonds","CrystEngComm","2011","13","22","6680","","10.1039/c1ce05649b","","","0.71073","MoKα","","0.0478","0.04","","","0.1057","0.1103","","","","","","1.025","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206693","10.2447","0.0003","29.148","0.001","10.2114","0.0003","90","","106.636","0.002","90","","2921.62","0.16","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","5H-dibenz(b,f)azepine-5-carboxamide 2-(1-((4- chlorophenyl)carbonyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetic acid (1/1)","5H-dibenz[b,f]azepine-5-carboxamide 2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl-1H-indol-3-yl}acetic acid (1/1)","","- C34 H28 Cl N3 O5 -","- C34 H28 Cl N3 O5 -","- C136 H112 Cl4 N12 O20 -","4","1","","Majumder, Mridul; Buckton, Graham; Rawlinson-Malone, Clare; Williams, Adrian C.; Spillman, Mark J.; Shankland, Norman; Shankland, Kenneth","A carbamazepine-indomethacin (1 : 1) cocrystal produced by milling","CrystEngComm","2011","13","21","6327","","10.1039/c1ce05650f","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206694","5.3232","0.001","15.896","0.003","25.664","0.005","90","","90","","90","","2171.6","0.7","93.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 F6 O6 -","- C20 H24 F6 O6 -","- C80 H96 F24 O24 -","4","1","","Kataoka, Keisuke; Yanagi, Masato; Katagiri, Toshimasa","A crystal engineering weaving of half-spiral molecules by hydrogen bonding chains into tube structures","CrystEngComm","2011","13","21","6342","","10.1039/c1ce05663h","","","0.71075","MoKα","","","0.0334","","","","0.0814","","","","","","1.049","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7206695","10.0681","0.0003","10.0681","0.0003","23.396","0.001","90","","90","","90","","2371.57","0.14","200","2","200","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C8 H16 Br2 Co O4 -","- C8 H16 Br2 Co O4 -","- C64 H128 Br16 Co8 O32 -","8","0.5","","Duan, Zhiming; Zhang, Yan; Zhang, Bin; Zhu, Daoben","Solvent-mediated crystal-to-crystal transformation within the CoBr2(1,4-dioxane)m(H2O)n family (m = 2, 3; n = 0, 2, 4) from 2D to 1D, and 0D","CrystEngComm","2011","13","22","6801","","10.1039/c1ce05668a","","","0.71073","MoKα","","0.0868","0.041","","","0.1179","0.1328","","","","","","1.029","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206696","5.8213","0.0015","6.9778","0.0018","10.275","0.003","99.636","0.003","101.641","0.003","112.746","0.002","362.81","0.17","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H20 Br2 Co O6 -","- C8 H20 Br2 Co O6 -","- C8 H20 Br2 Co O6 -","1","0.5","","Duan, Zhiming; Zhang, Yan; Zhang, Bin; Zhu, Daoben","Solvent-mediated crystal-to-crystal transformation within the CoBr2(1,4-dioxane)m(H2O)n family (m = 2, 3; n = 0, 2, 4) from 2D to 1D, and 0D","CrystEngComm","2011","13","22","6801","","10.1039/c1ce05668a","","","0.71073","MoKα","","0.0298","0.0285","","","0.0602","0.0609","","","","","","1.134","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206697","23.4355","0.0004","25.8418","0.0006","11.7298","0.0002","90","","113.109","0.001","90","","6533.7","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H24 Br2 Co O8 -","- C8 H24 Br2 Co O8 -","- C128 H384 Br32 Co16 O128 -","16","2","","Duan, Zhiming; Zhang, Yan; Zhang, Bin; Zhu, Daoben","Solvent-mediated crystal-to-crystal transformation within the CoBr2(1,4-dioxane)m(H2O)n family (m = 2, 3; n = 0, 2, 4) from 2D to 1D, and 0D","CrystEngComm","2011","13","22","6801","","10.1039/c1ce05668a","","","0.71073","MoKα","","0.1052","0.0378","","","0.083","0.1012","","","","","","0.913","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206698","9.1728","0.0003","9.1728","0.0003","19.5503","0.0007","90","","90","","90","","1644.97","0.1","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C8 H24 Br2 Co O8 -","- C8 H24 Br2 Co O8 -","- C32 H96 Br8 Co4 O32 -","4","0.25","","Duan, Zhiming; Zhang, Yan; Zhang, Bin; Zhu, Daoben","Solvent-mediated crystal-to-crystal transformation within the CoBr2(1,4-dioxane)m(H2O)n family (m = 2, 3; n = 0, 2, 4) from 2D to 1D, and 0D","CrystEngComm","2011","13","22","6801","","10.1039/c1ce05668a","","","0.71073","MoKα","","0.0621","0.0433","","","0.1132","0.1239","","","","","","1.046","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206699","6.4597","0.0016","9.033","0.002","9.738","0.003","105.54","0.004","98.341","0.003","92.69","0.003","539.5","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H32 Br2 Co O10 -","- C12 H32 Br2 Co O10 -","- C12 H32 Br2 Co O10 -","1","0.5","","Duan, Zhiming; Zhang, Yan; Zhang, Bin; Zhu, Daoben","Solvent-mediated crystal-to-crystal transformation within the CoBr2(1,4-dioxane)m(H2O)n family (m = 2, 3; n = 0, 2, 4) from 2D to 1D, and 0D","CrystEngComm","2011","13","22","6801","","10.1039/c1ce05668a","","","0.71073","MoKα","","0.0398","0.0355","","","0.0683","0.0705","","","","","","1.098","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206700","7.73","0.002","7.265","0.001","15.295","0.002","90","","115.818","0.008","90","","773.2","0.3","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 O2 -","- C9 H10 O2 -","- C36 H40 O8 -","4","1","","Seth, Saikat Kumar; Sarkar, Debayan; Roy, Amalesh; Kar, Tanusree","Insight into supramolecular self-assembly directed by weak interactions in acetophenone derivatives: crystal structures and Hirshfeld surface analyses","CrystEngComm","2011","13","22","6728","","10.1039/c1ce05670k","","","0.71073","MoKα","","0.0344","0.031","","","0.0749","0.0774","","","","","","1.03","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206701","8.194","0.0006","9.498","0.0007","17.3407","0.001","90","","110.609","0.003","90","","1263.2","0.15","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 O2 -","- C16 H16 O2 -","- C64 H64 O8 -","4","1","","Seth, Saikat Kumar; Sarkar, Debayan; Roy, Amalesh; Kar, Tanusree","Insight into supramolecular self-assembly directed by weak interactions in acetophenone derivatives: crystal structures and Hirshfeld surface analyses","CrystEngComm","2011","13","22","6728","","10.1039/c1ce05670k","","","0.71073","MoKα","","0.041","0.0372","","","0.0931","0.0964","","","","","","1.06","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206702","8.149","0.004","8.793","0.003","12.745","0.003","92.07","0.002","95.979","0.003","92.462","0.002","906.7","0.6","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H22 O3 -","- C23 H22 O3 -","- C46 H44 O6 -","2","1","","Seth, Saikat Kumar; Sarkar, Debayan; Roy, Amalesh; Kar, Tanusree","Insight into supramolecular self-assembly directed by weak interactions in acetophenone derivatives: crystal structures and Hirshfeld surface analyses","CrystEngComm","2011","13","22","6728","","10.1039/c1ce05670k","","","0.71073","MoKα","","0.0511","0.0407","","","0.1189","0.1272","","","","","","1.084","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206703","31.128","0.006","8.2169","0.0016","17.034","0.003","90","","90","","90","","4356.9","1.4","150","2","150","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C25 H24 O4 -","- C25 H24 O4 -","- C200 H192 O32 -","8","1","","Seth, Saikat Kumar; Sarkar, Debayan; Roy, Amalesh; Kar, Tanusree","Insight into supramolecular self-assembly directed by weak interactions in acetophenone derivatives: crystal structures and Hirshfeld surface analyses","CrystEngComm","2011","13","22","6728","","10.1039/c1ce05670k","","","0.71073","MoKα","","0.0862","0.0481","","","0.1181","0.1365","","","","","","1.04","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206704","9.288","0.004","10.108","0.005","11.775","0.006","90","","112.531","0.008","90","","1021.1","0.9","173","2","173","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C6 H11 Ag N5 O3 -","- C6 H11 Ag N5 O3 -","- C24 H44 Ag4 N20 O12 -","4","1","","Sun, Di; Li, Yun-Hua; Hao, Hong-Jun; Liu, Fu-Jing; Zhao, Yang; Huang, Rong-Bin; Zheng, Lan-Sun","Syntheses, structures and photoluminescent properties of a series of Ag(i) coordination architectures based on 2,4-diamino-6-methyl-1,3,5-triazine and dicarboxylates: from a 0D discrete molecule to a 3D infinite network","CrystEngComm","2011","13","21","6431","","10.1039/c1ce05683b","","","0.71073","MoKα","","0.0419","0.0318","","","0.0836","0.0886","","","","","","1.134","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206705","6.915","0.003","12.114","0.005","12.735","0.005","106.082","0.006","91.756","0.007","100.229","0.007","1005.1","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H40 Ag4 N20 O11 -","- C24 H40 Ag4 N20 O11 -","- C24 H40 Ag4 N20 O11 -","1","0.5","","Sun, Di; Li, Yun-Hua; Hao, Hong-Jun; Liu, Fu-Jing; Zhao, Yang; Huang, Rong-Bin; Zheng, Lan-Sun","Syntheses, structures and photoluminescent properties of a series of Ag(i) coordination architectures based on 2,4-diamino-6-methyl-1,3,5-triazine and dicarboxylates: from a 0D discrete molecule to a 3D infinite network","CrystEngComm","2011","13","21","6431","","10.1039/c1ce05683b","","","0.71073","MoKα","","0.0953","0.0744","","","0.158","0.1681","","","","","","1.168","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206706","7.127","0.003","11.788","0.005","12.716","0.005","62.542","0.007","74.618","0.007","75.193","0.009","902.9","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H20 Ag2 N10 O4 -","- C13 H20 Ag2 N10 O4 -","- C26 H40 Ag4 N20 O8 -","2","1","","Sun, Di; Li, Yun-Hua; Hao, Hong-Jun; Liu, Fu-Jing; Zhao, Yang; Huang, Rong-Bin; Zheng, Lan-Sun","Syntheses, structures and photoluminescent properties of a series of Ag(i) coordination architectures based on 2,4-diamino-6-methyl-1,3,5-triazine and dicarboxylates: from a 0D discrete molecule to a 3D infinite network","CrystEngComm","2011","13","21","6431","","10.1039/c1ce05683b","","","0.71073","MoKα","","0.0491","0.0387","","","0.0897","0.094","","","","","","1.042","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206707","11.786","0.003","23.065","0.007","8.343","0.002","90","","123.095","0.004","90","","1900.1","0.9","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H11 Ag N5 O2 -","- C7 H11 Ag N5 O2 -","- C56 H88 Ag8 N40 O16 -","8","1","","Sun, Di; Li, Yun-Hua; Hao, Hong-Jun; Liu, Fu-Jing; Zhao, Yang; Huang, Rong-Bin; Zheng, Lan-Sun","Syntheses, structures and photoluminescent properties of a series of Ag(i) coordination architectures based on 2,4-diamino-6-methyl-1,3,5-triazine and dicarboxylates: from a 0D discrete molecule to a 3D infinite network","CrystEngComm","2011","13","21","6431","","10.1039/c1ce05683b","","","0.71073","MoKα","","0.0379","0.0331","","","0.0844","0.0868","","","","","","1.083","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206708","10.551","0.007","8.536","0.006","12.311","0.008","90","","115.375","0.003","90","","1001.8","1.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H9 Ag N5 O2 -","- C8 H9 Ag N5 O2 -","- C32 H36 Ag4 N20 O8 -","4","1","","Sun, Di; Li, Yun-Hua; Hao, Hong-Jun; Liu, Fu-Jing; Zhao, Yang; Huang, Rong-Bin; Zheng, Lan-Sun","Syntheses, structures and photoluminescent properties of a series of Ag(i) coordination architectures based on 2,4-diamino-6-methyl-1,3,5-triazine and dicarboxylates: from a 0D discrete molecule to a 3D infinite network","CrystEngComm","2011","13","21","6431","","10.1039/c1ce05683b","","","0.71073","MoKα","","0.0551","0.0421","","","0.0989","0.1028","","","","","","0.99","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206709","4.9117","0.0011","5.1136","0.001","11.033","0.003","79.955","0.014","75.771","0.016","61.571","0.017","235.68","0.1","293","","293","","","","","","","","","5","P -1","-P 1","2","Silver (II) triflate","Silver (II) trifluoromethanesulfonate","","- C2 Ag F6 O6 S2 -","- C2 Ag F6 O6 S2 -","- C2 Ag F6 O6 S2 -","1","0.5","","Malinowski, Przemysław J.; Mazej, Zoran; Derzsi, Mariana; Jagličić, Zvonko; Szydłowska, Jadwiga; Gilewski, Tomasz; Grochala, Wojciech","Silver(ii) triflate with one-dimensional [Ag(ii)(SO3CF3)4/2]\ιnfty chains hosting antiferromagnetism","CrystEngComm","2011","13","22","6871","","10.1039/c1ce05712j","powder diffraction","","1.5418","CuKα","","0.0393","","","","","","","","2.2","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206710","25.614","0.005","10.367","0.002","14.328","0.003","90","","110.43","0.03","90","","3565.3","1.4","113","2","113","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H42 Cl4 Cu N2 O4 -","- C34 H42 Cl4 Cu N2 O4 -","- C136 H168 Cl16 Cu4 N8 O16 -","4","0.5","","Guo, Fang; Zhang, Ming-qian; Lu, Na; Guan, Hong-yu; Tong, Jian; Wang, Bao-xin","Co-crystal of [CuCl4]2− and L1 and its inclusion compounds with three different guests (L1 = N,N,N′,N′-tetra-p-methoxybenzyl-ethylenediamine)","CrystEngComm","2011","13","22","6753","","10.1039/c1ce05713h","","","0.71073","MoKα","","0.0282","0.0258","","","0.0754","0.0768","","","","","","1.135","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206711","10.471","0.002","14.032","0.003","27.239","0.005","90","","94.8","0.03","90","","3988.2","1.4","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H47 Cl4 Cu N2 O4 -","- C41 H47 Cl4 Cu N2 O4 -","- C164 H188 Cl16 Cu4 N8 O16 -","4","1","","Guo, Fang; Zhang, Ming-qian; Lu, Na; Guan, Hong-yu; Tong, Jian; Wang, Bao-xin","Co-crystal of [CuCl4]2− and L1 and its inclusion compounds with three different guests (L1 = N,N,N′,N′-tetra-p-methoxybenzyl-ethylenediamine)","CrystEngComm","2011","13","22","6753","","10.1039/c1ce05713h","","","0.71073","MoKα","","0.0395","0.0337","","","0.0807","0.084","","","","","","1.072","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206712","10.467","0.002","14.108","0.003","27.33","0.006","90","","95.29","0.03","90","","4018.6","1.5","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H47 Cl4 Cu N2 O4 -","- C41 H46 Cl4 Cu N2 O4 -","- C164 H184 Cl16 Cu4 N8 O16 -","4","1","","Guo, Fang; Zhang, Ming-qian; Lu, Na; Guan, Hong-yu; Tong, Jian; Wang, Bao-xin","Co-crystal of [CuCl4]2− and L1 and its inclusion compounds with three different guests (L1 = N,N,N′,N′-tetra-p-methoxybenzyl-ethylenediamine)","CrystEngComm","2011","13","22","6753","","10.1039/c1ce05713h","","","0.71073","MoKα","","0.0361","0.0325","","","0.081","0.0835","","","","","","0.961","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206713","15.823","0.003","17.165","0.003","18.838","0.004","64.88","0.03","72.07","0.03","63.17","0.03","4090.8","1.9","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H98.5 Cl7 Cu N4 O10.5 -","- C84 H98.5 Cl7 Cu N4 O10.5 -","- C168 H197 Cl14 Cu2 N8 O21 -","2","1","","Guo, Fang; Zhang, Ming-qian; Lu, Na; Guan, Hong-yu; Tong, Jian; Wang, Bao-xin","Co-crystal of [CuCl4]2− and L1 and its inclusion compounds with three different guests (L1 = N,N,N′,N′-tetra-p-methoxybenzyl-ethylenediamine)","CrystEngComm","2011","13","22","6753","","10.1039/c1ce05713h","","","0.71073","MoKα","","0.0716","0.057","","","0.1557","0.1633","","","","","","1.054","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206714","16.936","0.003","13.756","0.002","15.609","0.002","90","","90","","90","","3636.5","1","298","2","298","2","","","","","","","","7","P b a n :2","-P 2ab 2b","50","","","","- C78 H58 Ag2 F12 N8 O6 P2 -","- C78 H58 Ag2 F12 N8 O6 P2 -","- C156 H116 Ag4 F24 N16 O12 P4 -","2","0.25","","Hou, Gui-Ge; Wu, Yan; Ma, Jian-Ping; Dong, Yu-Bin","Synthesis, structural characterization and properties of Ag(i)-complexes based on double-armed 1,3,4-oxadiazole bridging ligands","CrystEngComm","2011","13","22","6850","","10.1039/c1ce05718a","","","0.71073","MoKα","","0.0961","0.0671","","","0.1617","0.1815","","","","","","1.077","","","","has coordinates","210357","2020-10-21","18:00:00",""
"7206715","8.9896","0.0012","31.618","0.004","12.7659","0.0017","90","","105.991","0.002","90","","3488.1","0.8","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H20 Ag F6 N4 O3 Sb -","- C30 H20 Ag F6 N4 O3 Sb -","- C120 H80 Ag4 F24 N16 O12 Sb4 -","4","1","","Hou, Gui-Ge; Wu, Yan; Ma, Jian-Ping; Dong, Yu-Bin","Synthesis, structural characterization and properties of Ag(i)-complexes based on double-armed 1,3,4-oxadiazole bridging ligands","CrystEngComm","2011","13","22","6850","","10.1039/c1ce05718a","","","0.71073","MoKα","","0.0544","0.0451","","","0.1166","0.1202","","","","","","1.083","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206716","10.518","0.002","13.249","0.002","13.926","0.003","83.357","0.003","82.318","0.003","70.574","0.003","1808.5","0.6","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H46 Ag2 F6 N8 O12 S2 -","- C68 H46 Ag2 F6 N8 O12 S2 -","- C68 H46 Ag2 F6 N8 O12 S2 -","1","0.5","","Hou, Gui-Ge; Wu, Yan; Ma, Jian-Ping; Dong, Yu-Bin","Synthesis, structural characterization and properties of Ag(i)-complexes based on double-armed 1,3,4-oxadiazole bridging ligands","CrystEngComm","2011","13","22","6850","","10.1039/c1ce05718a","","","0.71073","MoKα","","0.0625","0.045","","","0.088","0.0925","","","","","","0.944","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206717","7.8309","0.0013","13.545","0.002","17.271","0.003","73.472","0.002","89.038","0.002","80.625","0.003","1731.9","0.5","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H20 Ag2 F12 N4 O3 Sb2 -","- C30 H20 Ag2 F12 N4 O3 Sb2 -","- C60 H40 Ag4 F24 N8 O6 Sb4 -","2","1","","Hou, Gui-Ge; Wu, Yan; Ma, Jian-Ping; Dong, Yu-Bin","Synthesis, structural characterization and properties of Ag(i)-complexes based on double-armed 1,3,4-oxadiazole bridging ligands","CrystEngComm","2011","13","22","6850","","10.1039/c1ce05718a","","","0.71073","MoKα","","0.0658","0.0473","","","0.1212","0.1312","","","","","","1.043","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206718","7.8557","0.001","18.207","0.002","13.4719","0.0017","90","","103.544","0.002","90","","1873.3","0.4","173","2","173","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C16 H11 Ag F3 N2 O5 S -","- C16 H11 Ag F3 N2 O5 S -","- C64 H44 Ag4 F12 N8 O20 S4 -","4","1","","Hou, Gui-Ge; Wu, Yan; Ma, Jian-Ping; Dong, Yu-Bin","Synthesis, structural characterization and properties of Ag(i)-complexes based on double-armed 1,3,4-oxadiazole bridging ligands","CrystEngComm","2011","13","22","6850","","10.1039/c1ce05718a","","","0.71073","MoKα","","0.0533","0.0499","","","0.1528","0.1557","","","","","","1.092","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206719","23.985","0.003","19.144","0.003","8.5795","0.0013","90","","90.577","0.003","90","","3939.2","1","173","2","173","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C37 H31 Ag F6 N4 O4 Sb -","- C37 H31 Ag F6 N4 O4 Sb -","- C148 H124 Ag4 F24 N16 O16 Sb4 -","4","0.5","","Hou, Gui-Ge; Wu, Yan; Ma, Jian-Ping; Dong, Yu-Bin","Synthesis, structural characterization and properties of Ag(i)-complexes based on double-armed 1,3,4-oxadiazole bridging ligands","CrystEngComm","2011","13","22","6850","","10.1039/c1ce05718a","","","0.71073","MoKα","","0.0747","0.0648","","","0.1691","0.1772","","","","","","1.055","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206720","24.406","0.004","18.749","0.003","8.3657","0.0012","90","","90.991","0.002","90","","3827.5","1","173","2","173","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C33 H23 Ag F6 N4 O3 P -","- C33 H23 Ag F6 N4 O3 P -","- C132 H92 Ag4 F24 N16 O12 P4 -","4","0.5","","Hou, Gui-Ge; Wu, Yan; Ma, Jian-Ping; Dong, Yu-Bin","Synthesis, structural characterization and properties of Ag(i)-complexes based on double-armed 1,3,4-oxadiazole bridging ligands","CrystEngComm","2011","13","22","6850","","10.1039/c1ce05718a","","","0.71073","MoKα","","0.0744","0.0586","","","0.1538","0.1616","","","","","","1.071","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206721","24.97","0.019","18.714","0.014","8.194","0.006","90","","90.02","0.02","90","","3829","5","298","2","298","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C33 H23 Ag Cl N4 O7 -","- C33 H23 Ag Cl N4 O7 -","- C132 H92 Ag4 Cl4 N16 O28 -","4","0.5","","Hou, Gui-Ge; Wu, Yan; Ma, Jian-Ping; Dong, Yu-Bin","Synthesis, structural characterization and properties of Ag(i)-complexes based on double-armed 1,3,4-oxadiazole bridging ligands","CrystEngComm","2011","13","22","6850","","10.1039/c1ce05718a","","","0.71073","MoKα","","0.0881","0.0566","","","0.1364","0.1485","","","","","","0.968","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206722","14.038","0.003","18.203","0.003","13.527","0.002","90","","97.894","0.003","90","","3423.8","1.1","298","2","298","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C30 H20 Ag F6 N4 O3 Sb -","- C30 H20 Ag F6 N4 O3 Sb -","- C120 H80 Ag4 F24 N16 O12 Sb4 -","4","0.5","","Hou, Gui-Ge; Wu, Yan; Ma, Jian-Ping; Dong, Yu-Bin","Synthesis, structural characterization and properties of Ag(i)-complexes based on double-armed 1,3,4-oxadiazole bridging ligands","CrystEngComm","2011","13","22","6850","","10.1039/c1ce05718a","","","0.71073","MoKα","","0.1073","0.0923","","","0.2513","0.2609","","","","","","1.109","","","","has coordinates,has disorder","180398","2020-10-21","18:00:00",""
"7206723","13.9206","0.0017","18.112","0.002","26.968","0.003","90","","100.037","0.002","90","","6695.4","1.3","173","2","173","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C34 H28 Ag F6 N4 O4 P -","- C34 H28 Ag F6 N4 O4 P -","- C272 H224 Ag8 F48 N32 O32 P8 -","8","2","","Hou, Gui-Ge; Wu, Yan; Ma, Jian-Ping; Dong, Yu-Bin","Synthesis, structural characterization and properties of Ag(i)-complexes based on double-armed 1,3,4-oxadiazole bridging ligands","CrystEngComm","2011","13","22","6850","","10.1039/c1ce05718a","","","0.71073","MoKα","","0.0632","0.0529","","","0.131","0.1394","","","","","","1.021","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206724","24.744","0.004","13.627","0.002","19.476","0.003","90","","102.663","0.003","90","","6407.3","1.7","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30.5 H22 Ag Cl2 N4 O7.5 -","- C30.5 H22 Ag Cl2 N4 O7.5 -","- C244 H176 Ag8 Cl16 N32 O60 -","8","1","","Hou, Gui-Ge; Wu, Yan; Ma, Jian-Ping; Dong, Yu-Bin","Synthesis, structural characterization and properties of Ag(i)-complexes based on double-armed 1,3,4-oxadiazole bridging ligands","CrystEngComm","2011","13","22","6850","","10.1039/c1ce05718a","","","0.71073","MoKα","","0.0796","0.0567","","","0.1649","0.1852","","","","","","1.029","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7206725","23.317","0.005","18.586","0.004","9.209","0.0018","90","","106.36","0.03","90","","3829.3","1.5","292","2","292","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","cesium triphenylcyanoborate","","- C39 H34 B2 Cs2 N2 O -","- C39 H34 B2 Cs2 N2 O -","- C156 H136 B8 Cs8 N8 O4 -","4","0.5","","Nazarenko, Alexander Y.; Nemykin, Victor N.","Crystal data behind efficient cesium recognition: triphenylcyanoborates of potassium, rubidium, and cesium","CrystEngComm","2011","13","21","6352","","10.1039/c1ce05723e","","","0.71073","MoKα","","0.0486","0.036","","","0.0895","0.0946","","","","","","1.061","","","","has coordinates,has disorder","180398","2020-10-21","18:00:00",""
"7206726","27.406","0.006","15.76","0.003","15.649","0.003","90","","90","","90","","6759","2","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","rubidium triphenylcyanoborate","","- C19 H15 B N Rb -","- C19 H15 B N Rb -","- C304 H240 B16 N16 Rb16 -","16","2","","Nazarenko, Alexander Y.; Nemykin, Victor N.","Crystal data behind efficient cesium recognition: triphenylcyanoborates of potassium, rubidium, and cesium","CrystEngComm","2011","13","21","6352","","10.1039/c1ce05723e","","","0.71073","MoKα","","0.1975","0.0554","","","0.0961","0.1162","","","","","","0.861","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206727","17.1789","0.0016","17.1789","0.0016","11.4979","0.001","90","","90","","90","","3393.2","0.5","297","2","297","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","potassium triphenylcyanoborate","","- C19 H16 B K N O0.5 -","- C19 H16 B K N O0.5 -","- C152 H128 B8 K8 N8 O4 -","8","1","","Nazarenko, Alexander Y.; Nemykin, Victor N.","Crystal data behind efficient cesium recognition: triphenylcyanoborates of potassium, rubidium, and cesium","CrystEngComm","2011","13","21","6352","","10.1039/c1ce05723e","","","0.71073","MoKα","","0.0375","0.031","","","0.0733","0.0767","","","","","","1.033","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7206728","9.1733","0.001","10.6165","0.0011","24.064","0.003","90","","90.718","0.001","90","","2343.4","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H23 Cd N5 O10 -","- C18 H23 Cd N5 O10 -","- C72 H92 Cd4 N20 O40 -","4","1","","Li, Xing; Bing, Yue; Zha, Mei-Qin; Liang, Yun-Xiao; Pan, Jian-Guo; Wang, Dong-Jie","Self-assembly of metal‒organic frameworks: From packing helical channels to 2-fold interpenetration helical layers","CrystEngComm","2011","13","21","6373","","10.1039/c1ce05727h","","","0.71073","MoKα","","0.0447","0.0421","","","0.1032","0.1048","","","","","","1.122","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206729","10.5156","0.0015","9.3977","0.0013","23.034","0.003","90","","99.967","0.002","90","","2241.9","0.5","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C18 H21 Cd N5 O9 -","- C18 H17 Cd N5 O9 -","- C72 H68 Cd4 N20 O36 -","4","1","","Li, Xing; Bing, Yue; Zha, Mei-Qin; Liang, Yun-Xiao; Pan, Jian-Guo; Wang, Dong-Jie","Self-assembly of metal‒organic frameworks: From packing helical channels to 2-fold interpenetration helical layers","CrystEngComm","2011","13","21","6373","","10.1039/c1ce05727h","","","0.71073","MoKα","","0.0414","0.037","","","0.128","0.135","","","","","","1.107","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206730","10.6193","0.0003","15.0562","0.0004","16.2601","0.0004","108.694","0.004","95.323","0.003","109.312","0.004","2265.87","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H43 N12 O8 S4 -","- C41 H43 N12 O8 S4 -","- C82 H86 N24 O16 S8 -","2","1","","Nauha, Elisa; Kolehmainen, Erkki; Nissinen, Maija","Packing incentives and a reliable N‒H⋯N‒pyridine synthon in co-crystallization of bipyridines with two agrochemical actives","CrystEngComm","2011","13","21","6531","","10.1039/c1ce05730h","","","1.54178","CuKα","","0.0722","0.0517","","","0.1257","0.1394","","","","","","1.032","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206731","8.386","0.0007","17.295","0.0012","15.4566","0.0011","90","","98.935","0.003","90","","2214.6","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 N5 O4 S2 -","- C19 H22 N5 O4 S2 -","- C76 H88 N20 O16 S8 -","4","1","","Nauha, Elisa; Kolehmainen, Erkki; Nissinen, Maija","Packing incentives and a reliable N‒H⋯N‒pyridine synthon in co-crystallization of bipyridines with two agrochemical actives","CrystEngComm","2011","13","21","6531","","10.1039/c1ce05730h","","","1.54178","CuKα","","0.1077","0.0713","","","0.1812","0.2117","","","","","","1.039","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206732","9.0382","0.0002","9.5723","0.0002","12.537","0.0003","100.183","0.003","104.203","0.003","101.444","0.003","1001.16","0.05","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H18 N5 O4 S2 -","- C17 H18 N5 O4 S2 -","- C34 H36 N10 O8 S4 -","2","1","","Nauha, Elisa; Kolehmainen, Erkki; Nissinen, Maija","Packing incentives and a reliable N‒H⋯N‒pyridine synthon in co-crystallization of bipyridines with two agrochemical actives","CrystEngComm","2011","13","21","6531","","10.1039/c1ce05730h","","","1.54178","CuKα","","0.0735","0.0657","","","0.1788","0.1882","","","","","","1.069","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206733","11.8193","0.0004","12.8098","0.0005","26.3527","0.001","91.574","0.002","95.655","0.002","100.64","0.003","3897.9","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H26 N6 O4 S2 -","- C24 H26 N6 O4 S2 -","- C144 H156 N36 O24 S12 -","6","3","","Nauha, Elisa; Kolehmainen, Erkki; Nissinen, Maija","Packing incentives and a reliable N‒H⋯N‒pyridine synthon in co-crystallization of bipyridines with two agrochemical actives","CrystEngComm","2011","13","21","6531","","10.1039/c1ce05730h","","","1.54178","CuKα","","0.1094","0.0802","","","0.2103","0.2389","","","","","","1.071","","","","has coordinates,has disorder","180398","2020-10-21","18:00:00",""
"7206734","9.0972","0.0002","9.5762","0.0002","23.8891","0.0003","86.224","0.001","88.273","0.001","88.214","0.001","2074.79","0.07","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H40 N10 O8 S4 -","- C36 H40 N10 O8 S4 -","- C72 H80 N20 O16 S8 -","2","1","","Nauha, Elisa; Kolehmainen, Erkki; Nissinen, Maija","Packing incentives and a reliable N‒H⋯N‒pyridine synthon in co-crystallization of bipyridines with two agrochemical actives","CrystEngComm","2011","13","21","6531","","10.1039/c1ce05730h","","","1.54178","CuKα","","0.0832","0.0604","","","0.1459","0.1628","","","","","","1.043","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206735","8.308","0.0005","5.4673","0.0004","12.057","0.0013","90","","97.814","0.011","90","","542.57","0.08","295","2","295","2","","","100","","","","","4","P 1 21 1","P 2yb","4","4-amino-benzophenone","","","- C13 H11 N O -","- C13 H11 N O -","- C26 H22 N2 O2 -","2","1","","Marelli, Elena; Casati, Nicola; Gozzo, Fabia; Macchi, Piero; Simoncic, Petra; Sironi, Angelo","High pressure modification of organic NLO materials: large conformational re-arrangement of 4-aminobenzophenone","CrystEngComm","2011","13","22","6845","","10.1039/c1ce05742a","","","0.71073","MoKα","","0.1776","0.1021","","","0.2432","0.287","","","","","","1.07","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206736","8.1397","0.0014","5.2541","0.0009","11.853","0.004","90","","98.2","0.03","90","","501.7","0.2","295","2","295","2","","","600000","","","","","4","P 1 21 1","P 2yb","4","4-amino-benzophenone","","","- C13 H11 N O -","- C13 H11 N O -","- C26 H22 N2 O2 -","2","1","","Marelli, Elena; Casati, Nicola; Gozzo, Fabia; Macchi, Piero; Simoncic, Petra; Sironi, Angelo","High pressure modification of organic NLO materials: large conformational re-arrangement of 4-aminobenzophenone","CrystEngComm","2011","13","22","6845","","10.1039/c1ce05742a","","","0.71073","MoKα","","0.203","0.1185","","","0.2773","0.3446","","","","","","1.092","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206737","8.953","0.0018","3.865","0.0008","13.081","0.003","90","","90.47","0.03","90","","452.63","0.17","295","2","295","2","","","1000000","","","","","4","P 1 21 1","P 2yb","4","4-amino-benzophenone","","","- C13 H11 N O -","- C13 H11 N O -","- C26 H22 N2 O2 -","2","1","","Marelli, Elena; Casati, Nicola; Gozzo, Fabia; Macchi, Piero; Simoncic, Petra; Sironi, Angelo","High pressure modification of organic NLO materials: large conformational re-arrangement of 4-aminobenzophenone","CrystEngComm","2011","13","22","6845","","10.1039/c1ce05742a","","","0.71073","MoKα","","0.1197","0.0745","","","0.1431","0.1658","","","","","","1.048","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206738","9.047","0.0005","3.6626","0.0002","12.7481","0.0015","90","","92.304","0.01","90","","422.07","0.06","295","2","295","2","","","2000000","","","","","4","P 1 21 1","P 2yb","4","4-amino-benzophenone","","","- C13 H11 N O -","- C13 H11 N O -","- C26 H22 N2 O2 -","2","1","","Marelli, Elena; Casati, Nicola; Gozzo, Fabia; Macchi, Piero; Simoncic, Petra; Sironi, Angelo","High pressure modification of organic NLO materials: large conformational re-arrangement of 4-aminobenzophenone","CrystEngComm","2011","13","22","6845","","10.1039/c1ce05742a","","","0.71073","MoKα","","0.1058","0.062","","","0.1389","0.1595","","","","","","1.048","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206739","9.0625","0.0006","3.5605","0.0002","12.5539","0.0017","90","","92.541","0.011","90","","404.68","0.07","295","2","295","2","","","3500000","","","","","4","P 1 21 1","P 2yb","4","4-amino-benzophenone","","","- C13 H11 N O -","- C13 H11 N O -","- C26 H22 N2 O2 -","2","1","","Marelli, Elena; Casati, Nicola; Gozzo, Fabia; Macchi, Piero; Simoncic, Petra; Sironi, Angelo","High pressure modification of organic NLO materials: large conformational re-arrangement of 4-aminobenzophenone","CrystEngComm","2011","13","22","6845","","10.1039/c1ce05742a","","","0.71073","MoKα","","0.1081","0.0618","","","0.1343","0.1613","","","","","","1.08","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206740","9.0721","0.0017","3.4383","0.0006","12.285","0.005","90","","92.72","0.03","90","","382.77","0.18","295","2","295","2","","","6200000","","","","","4","P 1 21 1","P 2yb","4","4-amino-benzophenone","","","- C13 H11 N O -","- C13 H11 N O -","- C26 H22 N2 O2 -","2","1","","Marelli, Elena; Casati, Nicola; Gozzo, Fabia; Macchi, Piero; Simoncic, Petra; Sironi, Angelo","High pressure modification of organic NLO materials: large conformational re-arrangement of 4-aminobenzophenone","CrystEngComm","2011","13","22","6845","","10.1039/c1ce05742a","","","0.71073","MoKα","","0.0729","0.0494","","","0.1133","0.1258","","","","","","1.078","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206741","9.655","0.003","9.344","0.003","30.965","0.009","90","","93.859","0.005","90","","2787.2","1.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H26 N3 O17 P4 Zn3 -","- C17 H15 N3 O17 P4 Zn3 -","- C68 H60 N12 O68 P16 Zn12 -","4","1","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","New zinc diphosphonates with bright tunable luminescence and 12-member ring channels","CrystEngComm","2011","13","21","6334","","10.1039/c1ce05759f","","","0.71073","MoKα","","0.0613","0.0545","","","0.1376","0.1427","","","","","","1.089","","","","has coordinates,has disorder","180398","2020-10-21","18:00:00",""
"7206742","9.646","0.003","9.41","0.003","30.929","0.01","90","","93.338","0.005","90","","2802.6","1.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16.5 H27 N3 O17 P4 Zn3 -","- C16.5 H15 N3 O17 P4 Zn3 -","- C66 H60 N12 O68 P16 Zn12 -","4","1","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","New zinc diphosphonates with bright tunable luminescence and 12-member ring channels","CrystEngComm","2011","13","21","6334","","10.1039/c1ce05759f","","","0.71073","MoKα","","0.0854","0.0787","","","0.182","0.1864","","","","","","1.114","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206743","18.863","0.008","5.722","0.003","21.51","0.009","90","","116.96","0.03","90","","2069.4","1.7","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","TTFPhU-THF","","","- C18.96 H15.92 N2 O2.74 S4 -","- C18.96 H15.92 N2 O2.74 S4 -","- C75.84 H63.68 N8 O10.96 S16 -","4","1","","Murata, Tsuyoshi; Maki, Suguru; Ohmoto, Makoto; Miyazaki, Eigo; Umemoto, Yoshikazu; Nakasuji, Kazuhiro; Morita, Yasushi","Redox-active tubular frameworks with TTF: self-assemblies by complementary hydrogen-bonds and π-stacks of TTF-phenyluracil","CrystEngComm","2011","13","22","6880","","10.1039/c1ce05794d","","","0.71075","MoKa","","0.1107","0.0691","","","0.203","0.2219","","","","","","1.026","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206744","35.208","0.002","5.6195","0.0003","25.61","0.002","90","","126.721","0.002","90","","4061.5","0.5","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","TTFPhU-pyridine","TTFPhU-pyridine","","- C21 H15 N3 O2 S4 -","- C21 H15 N3 O2 S4 -","- C168 H120 N24 O16 S32 -","8","1","","Murata, Tsuyoshi; Maki, Suguru; Ohmoto, Makoto; Miyazaki, Eigo; Umemoto, Yoshikazu; Nakasuji, Kazuhiro; Morita, Yasushi","Redox-active tubular frameworks with TTF: self-assemblies by complementary hydrogen-bonds and π-stacks of TTF-phenyluracil","CrystEngComm","2011","13","22","6880","","10.1039/c1ce05794d","","","0.71075","MoKÂ\/Ya","","0.1628","0.0688","","","0.1109","0.1335","","","","","","0.976","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206745","9.7727","0.0018","18.576","0.003","10.561","0.002","90","","98.148","0.003","90","","1897.9","0.6","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 Cd N2 O11 -","- C15 H8 Cd N2 O11 -","- C60 H32 Cd4 N8 O44 -","4","1","","Meng, Miao; Zhong, Di-Chang; Lu, Tong-Bu","Three porous metal‒organic frameworks based on an azobenzenetricarboxylate ligand: synthesis, structures, and magnetic properties","CrystEngComm","2011","13","22","6794","","10.1039/c1ce05817g","","","0.71073","MoKα","","0.0723","0.0447","","","0.1191","0.1314","","","","","","1.107","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206746","19.0321","0.0004","7.1489","0.0001","18.746","0.0004","90","","119.292","0.003","90","","2224.43","0.1","123","2","123","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C34 H47 Cd3 N5 O25 -","- C34 H14 Cd3 N5 O25 -","- C68 H28 Cd6 N10 O50 -","2","0.5","","Meng, Miao; Zhong, Di-Chang; Lu, Tong-Bu","Three porous metal‒organic frameworks based on an azobenzenetricarboxylate ligand: synthesis, structures, and magnetic properties","CrystEngComm","2011","13","22","6794","","10.1039/c1ce05817g","","","1.54178","CuKα","","0.0304","0.0299","","","0.0867","0.0872","","","","","","1.158","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206747","30.3206","0.0018","7.247","0.0003","19.337","0.0009","90","","106.844","0.002","90","","4066.7","0.4","153","2","153","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C60 H82 Mn6 N8 O51 -","- C60 H28 Mn6 N8 O51 -","- C120 H56 Mn12 N16 O102 -","2","0.5","","Meng, Miao; Zhong, Di-Chang; Lu, Tong-Bu","Three porous metal‒organic frameworks based on an azobenzenetricarboxylate ligand: synthesis, structures, and magnetic properties","CrystEngComm","2011","13","22","6794","","10.1039/c1ce05817g","","","0.71073","MoKα","","0.08","0.0519","","","0.1312","0.1813","","","","","","1.076","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206748","5.707","0.003","8.886","0.005","9.503","0.005","71.733","0.005","79.378","0.009","84.199","0.009","449.3","0.4","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C20 H17 N3 O3 -","- C20 H17 N3 O3 -","- C20 H17 N3 O3 -","1","1","","Wang, Yong-Tao; Tang, Gui-Mei; He, Chao; Yan, Shi-Chen; Hao, Qi-Chao; Chen, Long; Long, Xi-Fa; Li, Tian-Duo; Ng, Seik Weng","Nonlinear optical and ferroelectric materials based on 1-benzyl-2-phenyl-1H-benzimidazole salts","CrystEngComm","2011","13","21","6365","","10.1039/c1ce05860f","","","0.71073","MoKα","","0.1234","0.0849","","","0.2049","0.2317","","","","","","1.093","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206749","5.7108","0.0017","9.011","0.003","9.451","0.003","70.55","0.003","81.022","0.004","85.818","0.003","452.9","0.2","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C20 H17 Cl N2 O4 -","- C20 H17 Cl N2 O4 -","- C20 H17 Cl N2 O4 -","1","1","","Wang, Yong-Tao; Tang, Gui-Mei; He, Chao; Yan, Shi-Chen; Hao, Qi-Chao; Chen, Long; Long, Xi-Fa; Li, Tian-Duo; Ng, Seik Weng","Nonlinear optical and ferroelectric materials based on 1-benzyl-2-phenyl-1H-benzimidazole salts","CrystEngComm","2011","13","21","6365","","10.1039/c1ce05860f","","","0.71073","MoKα","","0.0386","0.0333","","","0.0871","0.0908","","","","","","1.059","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206750","5.441","0.004","8.892","0.006","9.554","0.007","74.542","0.008","82.346","0.008","76.224","0.008","431.5","0.5","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C20 H19 Cl N2 O -","- C20 H19 Cl N2 O -","- C20 H19 Cl N2 O -","1","1","","Wang, Yong-Tao; Tang, Gui-Mei; He, Chao; Yan, Shi-Chen; Hao, Qi-Chao; Chen, Long; Long, Xi-Fa; Li, Tian-Duo; Ng, Seik Weng","Nonlinear optical and ferroelectric materials based on 1-benzyl-2-phenyl-1H-benzimidazole salts","CrystEngComm","2011","13","21","6365","","10.1039/c1ce05860f","","","0.71073","MoKα","","0.0348","0.0325","","","0.0941","0.0971","","","","","","1.034","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206751","8.793","0.002","23.662","0.006","24.672","0.006","68.897","0.019","87.31","0.02","80.27","0.02","4720","2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C138 H118 Cl12 N18 O14 Zn6 -","- C138 H90 Cl12 N18 O14 Zn6 -","- C138 H90 Cl12 N18 O14 Zn6 -","1","0.5","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Zampese, Jennifer A.","Zinc(ii) coordination polymers, metallohexacycles and metallocapsules—do we understand self-assembly in metallosupramolecular chemistry: algorithms or serendipity?","CrystEngComm","2011","13","22","6864","","10.1039/c1ce05884c","","","0.71073","MoKα","","0.1116","0.1045","","","0.2965","0.3034","","","","","","1.104","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206752","38.903","0.005","38.903","0.005","16.736","0.003","90","","90","","120","","21936","6","173","2","173","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C169 H142 Cl3 I24 N32 O12 Zn12 -","- C169.08 H118.08 Cl3 I24 N31.92 O12 Zn12 -","- C507.24 H354.24 Cl9 I72 N95.76 O36 Zn36 -","3","0.166667","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Zampese, Jennifer A.","Zinc(ii) coordination polymers, metallohexacycles and metallocapsules—do we understand self-assembly in metallosupramolecular chemistry: algorithms or serendipity?","CrystEngComm","2011","13","22","6864","","10.1039/c1ce05884c","","","0.71073","MoKα","","0.1799","0.1571","","","0.3837","0.3959","","","","","","2.582","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7206753","9.8708","0.0017","10.5239","0.0011","20.888","0.004","90","","101.277","0.013","90","","2127.9","0.6","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H13.5 Cl I2 N4 O0.25 Zn -","- C20 H13 Cl I2 N4 O0.25 Zn -","- C80 H52 Cl4 I8 N16 O Zn4 -","4","1","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Zampese, Jennifer A.","Zinc(ii) coordination polymers, metallohexacycles and metallocapsules—do we understand self-assembly in metallosupramolecular chemistry: algorithms or serendipity?","CrystEngComm","2011","13","22","6864","","10.1039/c1ce05884c","","","0.71073","MoKα","","0.0382","0.0343","","","0.0844","0.0868","","","","","","1.099","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206754","17.353","0.003","10.3148","0.0016","20.974","0.004","90","","90","","90","","3754.2","1.1","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H13 Cl3 N4 Zn -","- C20 H13 Cl3 N4 Zn -","- C160 H104 Cl24 N32 Zn8 -","8","1","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Zampese, Jennifer A.","Zinc(ii) coordination polymers, metallohexacycles and metallocapsules—do we understand self-assembly in metallosupramolecular chemistry: algorithms or serendipity?","CrystEngComm","2011","13","22","6864","","10.1039/c1ce05884c","","","0.71073","MoKα","","0.0351","0.0341","","","0.0823","0.0828","","","","","","1.134","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206755","8.793","0.002","23.662","0.006","24.672","0.006","68.897","0.019","87.31","0.02","80.27","0.02","4720","2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C138 H90 Cl12 N18 Zn6 -","- C138 H90 Cl12 N18 Zn6 -","- C138 H90 Cl12 N18 Zn6 -","1","0.5","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Zampese, Jennifer A.","Zinc(ii) coordination polymers, metallohexacycles and metallocapsules—do we understand self-assembly in metallosupramolecular chemistry: algorithms or serendipity?","CrystEngComm","2011","13","22","6864","","10.1039/c1ce05884c","","","0.71073","MoKα","","0.0885","0.0816","","","0.2271","0.2349","","","","","","1.04","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206757","10.4133","0.0009","11.8185","0.0011","14.8969","0.0013","90","","90.08","","90","","1833.4","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 N3 O6 Zn -","- C19 H17 N3 O6 Zn -","- C76 H68 N12 O24 Zn4 -","4","1","","Li, Cai; Li, Dong-Sheng; Zhao, Jun; Mou, Yi-Qing; Zou, Kun; Xiao, Shu-Zhang; Du, Miao","Structural diversity and fluorescent properties of Zn(ii)/Cd(ii) coordination polymers with a versatile tecton 2-(carboxymethoxy)benzoic acid and N-donor co-ligands","CrystEngComm","2011","13","22","6601","","10.1039/c1ce05896g","","","0.71073","MoKα","","0.0644","0.0498","","","0.1008","0.1075","","","","","","1.039","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206758","22.479","0.007","13.058","0.004","17.853","0.01","90","","119.695","0.004","90","","4552","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H50 N4 O15 Zn2 -","- C44 H40 N4 O15 Zn2 -","- C176 H160 N16 O60 Zn8 -","4","0.5","","Li, Cai; Li, Dong-Sheng; Zhao, Jun; Mou, Yi-Qing; Zou, Kun; Xiao, Shu-Zhang; Du, Miao","Structural diversity and fluorescent properties of Zn(ii)/Cd(ii) coordination polymers with a versatile tecton 2-(carboxymethoxy)benzoic acid and N-donor co-ligands","CrystEngComm","2011","13","22","6601","","10.1039/c1ce05896g","","","0.71073","MoKα","","0.0535","0.0419","","","0.1231","0.1354","","","","","","1.035","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206759","8.9846","0.0002","9.2383","0.0002","13.4394","0.0003","82.95","0.001","83.474","0.001","84.599","0.001","1096.25","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H26 N4 O8 Zn -","- C19 H20 N4 O8 Zn -","- C38 H40 N8 O16 Zn2 -","2","1","","Li, Cai; Li, Dong-Sheng; Zhao, Jun; Mou, Yi-Qing; Zou, Kun; Xiao, Shu-Zhang; Du, Miao","Structural diversity and fluorescent properties of Zn(ii)/Cd(ii) coordination polymers with a versatile tecton 2-(carboxymethoxy)benzoic acid and N-donor co-ligands","CrystEngComm","2011","13","22","6601","","10.1039/c1ce05896g","","","0.71073","MoKα","","0.0434","0.036","","","0.1031","0.1087","","","","","","1.023","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206760","11.572","0.004","17.273","0.007","15.536","0.006","90","","98.17","0.007","90","","3074","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 Cd2 N4 O11 -","- C28 H26 Cd2 N4 O11 -","- C112 H104 Cd8 N16 O44 -","4","1","","Li, Cai; Li, Dong-Sheng; Zhao, Jun; Mou, Yi-Qing; Zou, Kun; Xiao, Shu-Zhang; Du, Miao","Structural diversity and fluorescent properties of Zn(ii)/Cd(ii) coordination polymers with a versatile tecton 2-(carboxymethoxy)benzoic acid and N-donor co-ligands","CrystEngComm","2011","13","22","6601","","10.1039/c1ce05896g","","","0.71073","MoKα","","0.1315","0.0794","","","0.1969","0.2288","","","","","","1.038","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206761","10.64","0.02","21.61","0.05","7.347","0.016","90","","133.67","","90","","1222","5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H4 Cl2 Cu N8 -","- C8 H6 Cl2 Cu N8 -","- C32 H24 Cl8 Cu4 N32 -","4","0.5","","Li, Bing; Chen, Shun-Wei; Chen, Zheng; Chen, Jie; Guo, Jian-Zhong; Liu, Li","The self-assembly of single-walled metal‒organic nanotubes constructed from CuCl2 chains and ditetrazoles","CrystEngComm","2011","13","22","6610","","10.1039/c1ce05921a","","","0.71073","MoKα","","0.0912","0.0618","","","0.0905","0.1061","","","","","","0.896","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206762","22.687","0.003","14.2059","0.0016","32.493","0.004","90","","90","","90","","10472","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","(Ni2(oba)2(bpy)3(H2O)4)","","","- C58 H48 N6 Ni2 O14 -","- C58 H48 N6 Ni2 O14 -","- C464 H384 N48 Ni16 O112 -","8","1","","Cheng, Xiao-Ning; Zhang, Wei-Xiong; Chen, Xiao-Ming","Metal ion modulation of polycatenation networks constructed by mixed rigid and flexible bridging ligands","CrystEngComm","2011","13","22","6613","","10.1039/c1ce05933e","","","0.71073","MoKα","","0.2084","0.0965","","","0.1893","0.2425","","","","","","1.016","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206763","27.956","0.002","27.956","0.002","16.8396","0.0013","90","","90","","90","","13160.8","1.7","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","(Co2(oba)2(bpy)3(H2O)2).bpy.H2O","","","- C34 H30 Co N4 O8 -","- C34 H30 Co N4 O8 -","- C544 H480 Co16 N64 O128 -","16","1","","Cheng, Xiao-Ning; Zhang, Wei-Xiong; Chen, Xiao-Ming","Metal ion modulation of polycatenation networks constructed by mixed rigid and flexible bridging ligands","CrystEngComm","2011","13","22","6613","","10.1039/c1ce05933e","","","0.71073","MoKα","","0.0965","0.0608","","","0.1538","0.1888","","","","","","1.055","","","","has coordinates,has disorder","180398","2020-10-21","18:00:00",""
"7206764","7.0558","0.0003","13.6319","0.0003","14.1191","0.0005","106.205","0.002","95.292","0.002","104.352","0.002","1244.22","0.08","120","2","120","2","","","","","","","","4","P -1","-P 1","2","CAGLIARI 165","","","- C20 H13 Br7 N2 -","- C20 H13 Br7 N2 -","- C40 H26 Br14 N4 -","2","1","","Aragoni, M. Carla; Arca, Massimiliano; Coles, Simon J.; Devillanova, Francesco A.; Hursthouse, Michael B.; Coles (née Huth), Susanne L.; Isaia, Francesco; Lippolis, Vito; Mancini, Annalisa","CT-adduct vs. pyridinium polyhalide salt formation in the reactions between polypyridyl donors and dihalogens: reactivity of 1,4-di-(3′-pyridylethynyl)benzene towards Br2 and I2","CrystEngComm","2011","13","21","6319","","10.1039/c1ce05954h","","","0.71073","MoKα","","0.071","0.0402","","","0.0795","0.0895","","","","","","1.02","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206765","26.67","0.005","8.4146","0.0017","13.05","0.003","90","","118.49","0.03","90","","2574","1.2","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2005slh0245/132","","- C20 H12 I5.5 N2 -","- C20 H12 I5.4 N2 -","- C80 H48 I21.6 N8 -","4","0.5","","Aragoni, M. Carla; Arca, Massimiliano; Coles, Simon J.; Devillanova, Francesco A.; Hursthouse, Michael B.; Coles (née Huth), Susanne L.; Isaia, Francesco; Lippolis, Vito; Mancini, Annalisa","CT-adduct vs. pyridinium polyhalide salt formation in the reactions between polypyridyl donors and dihalogens: reactivity of 1,4-di-(3′-pyridylethynyl)benzene towards Br2 and I2","CrystEngComm","2011","13","21","6319","","10.1039/c1ce05954h","","","0.71073","MoKα","","0.0514","0.0469","","","0.1202","0.1233","","","","","","1.074","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7206786","18.0736","0.0005","6.149","0.0002","23.5057","0.0006","90","","97.344","0.001","90","","2590.87","0.13","123","2","123","2","","","","","","","synthesis as described","6","P 1 21/a 1","-P 2yab","14","","","","- C16 H22 Br2 Cl6 N4 O4 -","- C16 H22 Br2 Cl6 N4 O4 -","- C64 H88 Br8 Cl24 N16 O16 -","4","1","","Raatikainen, Kari; Rissanen, Kari","Interaction between amines and N-haloimides: a new motif for unprecedentedly short Br⋯N and I⋯N halogen bonds","CrystEngComm","2011","13","23","6972","","10.1039/c1ce05447c","","x-ray","0.71073","MoKα","","0.0494","0.0338","","","0.0728","0.0787","","","","","","1.035","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206787","6.7065","0.0002","18.5969","0.0006","7.1006","0.0002","90","","99.5","0.002","90","","873.44","0.05","123","2","123","2","","","","","","","synthesis as described","5","P 1 n 1","P -2yac","7","","","","- C14 H20 Br2 N6 O4 -","- C14 H20 Br2 N6 O4 -","- C28 H40 Br4 N12 O8 -","2","1","","Raatikainen, Kari; Rissanen, Kari","Interaction between amines and N-haloimides: a new motif for unprecedentedly short Br⋯N and I⋯N halogen bonds","CrystEngComm","2011","13","23","6972","","10.1039/c1ce05447c","","x-ray","0.71073","MoKα","","0.03","0.0279","","","0.068","0.0689","","","","","","1.065","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206788","16.8164","0.0007","16.8164","0.0007","14.3925","0.0009","90","","90","","90","","4070.1","0.3","123","2","123","2","","","","","","","synthesis as described","5","I -4 c 2","I -4 -2c","120","","","","- C22 H28 I4 N8 O8 -","- C22 H28 I4 N8 O8 -","- C88 H112 I16 N32 O32 -","4","0.25","","Raatikainen, Kari; Rissanen, Kari","Interaction between amines and N-haloimides: a new motif for unprecedentedly short Br⋯N and I⋯N halogen bonds","CrystEngComm","2011","13","23","6972","","10.1039/c1ce05447c","","x-ray","0.71073","MoKα","","0.0676","0.0562","","","0.1228","0.1261","","","","","","1.197","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206789","30.8657","0.0008","6.1071","0.0001","8.2339","0.0002","90","","95.363","0.002","90","","1545.3","0.06","123","2","123","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H11 I2 N5 O4 -","- C11 H11 I2 N5 O4 -","- C44 H44 I8 N20 O16 -","4","0.5","","Raatikainen, Kari; Rissanen, Kari","Interaction between amines and N-haloimides: a new motif for unprecedentedly short Br⋯N and I⋯N halogen bonds","CrystEngComm","2011","13","23","6972","","10.1039/c1ce05447c","","x-ray","0.71073","MoKα","","0.0207","0.0188","","","0.0437","0.0447","","","","","","1.159","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206790","9.9306","0.0007","18.8619","0.0013","15.0246","0.001","90","","97.401","0.001","90","","2790.8","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 Cd N5 O11 Zn -","- C25 H25 Cd N5 O11 Zn -","- C100 H100 Cd4 N20 O44 Zn4 -","4","1","","Gong, Xue; Ge, Ying-Ying; Fang, Mao; Gu, Zhi-Gang; Zheng, Sheng-Run; Li, Wei-Shan; Hu, She-Jun; Li, Shu-Bin; Cai, Yue-Peng","Construction of four 3d-4d/4d complexes based on salen-type schiff base ligands","CrystEngComm","2011","13","23","6911","","10.1039/c1ce05525a","","","0.71073","MoKα","","0.0419","0.0281","","","0.0622","0.0683","","","","","","1.028","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206791","16.6799","0.0012","10.6208","0.0008","21.4547","0.0016","90","","92.312","0.001","90","","3797.7","0.5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H40 Cd2 Cl2 N6 O8 -","- C34 H40 Cd2 Cl2 N6 O8 -","- C136 H160 Cd8 Cl8 N24 O32 -","4","1","","Gong, Xue; Ge, Ying-Ying; Fang, Mao; Gu, Zhi-Gang; Zheng, Sheng-Run; Li, Wei-Shan; Hu, She-Jun; Li, Shu-Bin; Cai, Yue-Peng","Construction of four 3d-4d/4d complexes based on salen-type schiff base ligands","CrystEngComm","2011","13","23","6911","","10.1039/c1ce05525a","","","0.71073","MoKα","","0.0641","0.0408","","","0.0858","0.0979","","","","","","1.031","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206792","22.708","0.005","10.553","0.002","19.758","0.004","90","","90","","90","","4734.8","1.7","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C34 H32 Cu N4 O8 -","- C34 H32 Cu N4 O8 -","- C136 H128 Cu4 N16 O32 -","4","1","","Yu, Fan; Li, Bao","Temperature-controlled synthesis of two novel coordination polymers modeled by semi-rigid tetrapyridines","CrystEngComm","2011","13","23","7025","","10.1039/c1ce05549f","","","0.71073","MoKα","","0.1426","0.0962","","","0.2501","0.2804","","","","","","0.919","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206793","10.0124","0.0006","14.1908","0.0009","21.6482","0.0016","90","","102.265","0.002","90","","3005.7","0.3","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C47 H60 Cu4 N4 O24 -","- C47 H60 Cu4 N4 O24 -","- C94 H120 Cu8 N8 O48 -","2","0.5","","Yu, Fan; Li, Bao","Temperature-controlled synthesis of two novel coordination polymers modeled by semi-rigid tetrapyridines","CrystEngComm","2011","13","23","7025","","10.1039/c1ce05549f","","","0.71073","MoKα","","0.066","0.0486","","","0.1254","0.1346","","","","","","1.093","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206794","26.823","0.004","8.765","0.002","20.686","","90","0.003","115.94","0.02","90","","4373.4","1.4","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26 H52 Cu2 F12 N12 O12 Si2 -","- C26 H52 Cu2 F12 N12 O12 Si2 -","- C104 H208 Cu8 F48 N48 O48 Si8 -","4","0.5","","Chen, Wei; Chu, Jinfeng; Mutikainen, Ilpo; Reedijk, Jan; Turpeinen, Urho; Song, Yu-Fei","Tripodal bis(imidazole)-based ligands and their chelation to copper(ii)","CrystEngComm","2011","13","24","7299","","10.1039/c1ce05556a","","","0.71073","MoKα","","0.0746","0.0402","","","0.0737","0.0828","","","","","","0.957","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206795","10.1448","0.0017","16.441","0.002","13.18","0.002","90","","109.542","0.002","90","","2071.7","0.5","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H36 Cl2 Cu3 N12 O20 -","- C30 H36 Cl2 Cu3 N12 O20 -","- C60 H72 Cl4 Cu6 N24 O40 -","2","0.5","","Chen, Wei; Chu, Jinfeng; Mutikainen, Ilpo; Reedijk, Jan; Turpeinen, Urho; Song, Yu-Fei","Tripodal bis(imidazole)-based ligands and their chelation to copper(ii)","CrystEngComm","2011","13","24","7299","","10.1039/c1ce05556a","","","0.71073","MoKα","","0.0378","0.0289","","","0.0635","0.0672","","","","","","0.999","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206796","7.6833","0.0018","9.5255","0.0019","13.551","0.004","85.33","0.007","87.06","0.006","80.222","0.007","973.4","0.4","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H22 Cl Cu N5 O11 -","- C12 H22 Cl Cu N5 O11 -","- C24 H44 Cl2 Cu2 N10 O22 -","2","1","","Chen, Wei; Chu, Jinfeng; Mutikainen, Ilpo; Reedijk, Jan; Turpeinen, Urho; Song, Yu-Fei","Tripodal bis(imidazole)-based ligands and their chelation to copper(ii)","CrystEngComm","2011","13","24","7299","","10.1039/c1ce05556a","","","0.71073","MoKα","","0.0335","0.0277","","","0.0693","0.0714","","","","","","1.003","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206797","14.362","0.002","14.58","0.002","15.887","0.002","86.106","0.002","80.269","0.002","87.555","0.002","3269.6","0.8","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H56 Cd2 N10 O19 S2 -","- C64 H54.5 Cd2 N10 O19 S2 -","- C128 H109 Cd4 N20 O38 S4 -","2","1","","Chen, Haiyan; Xiao, Dongrong; Fan, Linlin; He, Jianghong; Yan, Shiwei; Zhang, Guangju; Sun, Dianzhen; Ye, Zhongli; Yuan, Ruo; Wang, Enbo","Unusual self-threading and interdigitated architectures self-assembled from long flexible ligands and d10 metal salts","CrystEngComm","2011","13","23","7098","","10.1039/c1ce05573a","","","0.71073","MoKα","","0.0695","0.0497","","","0.1387","0.1562","","","","","","1.028","","","","has coordinates,has disorder","180398","2020-10-21","18:00:00",""
"7206798","24.122","0.003","12.739","0.0014","20.106","0.002","90","","108.832","0.001","90","","5847.6","1.1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H21 N5 O6 S Zn -","- C32 H21 N5 O6 S Zn -","- C256 H168 N40 O48 S8 Zn8 -","8","1","","Chen, Haiyan; Xiao, Dongrong; Fan, Linlin; He, Jianghong; Yan, Shiwei; Zhang, Guangju; Sun, Dianzhen; Ye, Zhongli; Yuan, Ruo; Wang, Enbo","Unusual self-threading and interdigitated architectures self-assembled from long flexible ligands and d10 metal salts","CrystEngComm","2011","13","23","7098","","10.1039/c1ce05573a","","","0.71073","MoKα","","0.0643","0.0405","","","0.1182","0.1337","","","","","","1","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206799","11.8037","0.0004","16.6966","0.0006","12.9072","0.0004","90","","106.726","0.001","90","","2436.15","0.14","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 Cd N4 O6 S -","- C24 H22 Cd N4 O6 S -","- C96 H88 Cd4 N16 O24 S4 -","4","1","","Chen, Haiyan; Xiao, Dongrong; Fan, Linlin; He, Jianghong; Yan, Shiwei; Zhang, Guangju; Sun, Dianzhen; Ye, Zhongli; Yuan, Ruo; Wang, Enbo","Unusual self-threading and interdigitated architectures self-assembled from long flexible ligands and d10 metal salts","CrystEngComm","2011","13","23","7098","","10.1039/c1ce05573a","","","0.71073","MoKα","","0.0471","0.0428","","","0.1558","0.1591","","","","","","1.318","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206800","11.5434","0.0008","16.3088","0.0012","12.8836","0.001","90","","106.192","0.004","90","","2329.2","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 Cd N4 O6 S -","- C23 H20 Cd N4 O6 S -","- C92 H80 Cd4 N16 O24 S4 -","4","1","","Chen, Haiyan; Xiao, Dongrong; Fan, Linlin; He, Jianghong; Yan, Shiwei; Zhang, Guangju; Sun, Dianzhen; Ye, Zhongli; Yuan, Ruo; Wang, Enbo","Unusual self-threading and interdigitated architectures self-assembled from long flexible ligands and d10 metal salts","CrystEngComm","2011","13","23","7098","","10.1039/c1ce05573a","","","0.71073","MoKα","","0.1797","0.1723","","","0.5961","0.6109","","","","","","1.079","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206801","9.0116","0.0007","9.408","0.0006","18.0095","0.0014","83.76","0.006","76.517","0.007","79.61","0.006","1456.89","0.19","298","2","298","2","","","","","","","","4","P -1","-P 1","2","2,4,6-triethyl-1,3,5-benzenetricarboxylic acid, 4,4'- bipyridine, (+/-) 2-methyl-1-butanol","2,4,6-triethyl-1,3,5-benzenetricarboxylic acid, 4,4'-bipyridine, (+/-) 2-methyl-1-butanol","","- C30 H38 N2 O7 -","- C25 H26 N2 O6 -","- C50 H52 N4 O12 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Inclusion of a chiral guest in a centrosymmetric organic host lattice","CrystEngComm","2011","13","23","6941","","10.1039/c1ce05600j","","","0.71073","MoKα","","0.0884","0.0566","","","0.1785","0.1877","","","","","","0.986","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206802","8.9857","0.0002","9.4136","0.0002","17.9866","0.0004","83.674","0.002","76.62","0.002","79.597","0.002","1452.09","0.06","298","2","298","2","","","","","","","","4","P 1","P 1","1","2,4,6-triethyl-1,3,5-benzenetricarboxylic acid, 4,4'- bipyridine, (S)2-methyl-1-butanol","2,4,6-triethyl-1,3,5-benzenetricarboxylic acid, 4,4'-bipyridine, (S)2-methyl-1-butanol","","- C60 H76 N4 O14 -","- C50 H51.17 N4 O12 -","- C50 H51.17 N4 O12 -","1","1","","Bhattacharya, Suman; Saha, Binoy K.","Inclusion of a chiral guest in a centrosymmetric organic host lattice","CrystEngComm","2011","13","23","6941","","10.1039/c1ce05600j","","","0.71073","MoKα","","0.0727","0.0483","","","0.1363","0.1451","","","","","","0.903","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206803","11.4001","0.0011","17.4597","0.0016","11.6727","0.0009","90","","101.406","0.009","90","","2277.5","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,4,6-triethyl-1,3,5-benzenetricarboxylic acid, 4,4'- bipyridine,","2,4,6-triethyl-1,3,5-benzenetricarboxylic acid, 4,4'-bipyridine,","","- C25 H26 N2 O6 -","- C25 H26 N2 O6 -","- C100 H104 N8 O24 -","4","1","","Bhattacharya, Suman; Saha, Binoy K.","Inclusion of a chiral guest in a centrosymmetric organic host lattice","CrystEngComm","2011","13","23","6941","","10.1039/c1ce05600j","","","0.71073","MoKα","","0.1122","0.0637","","","0.1799","0.1967","","","","","","1.048","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206804","11.263","0.0006","16.4363","0.0008","17.4733","0.0009","90","","90","","90","","3234.7","0.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1, 4-bis (diphenylhydroxymethyl) benzene dimethylacetamide clathrate","","- C40 H44 N2 O4 -","- C40 H44 N2 O4 -","- C160 H176 N8 O16 -","4","0.5","","Jacobs, Ayesha; Nassimbeni, Luigi R.; Silwana, Nothemba; Báthori, Nikoletta B.; Weber, Edwin","Inclusion of 1,4-bis(diphenylhydroxymethyl)benzene with amides: structure and selectivity","CrystEngComm","2011","13","23","7014","","10.1039/c1ce05647f","","","0.71073","MoKα","","0.063","0.0457","","","0.1173","0.1281","","","","","","1.025","","","","has coordinates,has disorder","180399","2020-10-21","18:00:00",""
"7206805","12.263","0.003","13.918","0.003","11.155","0.002","90","","115.55","0.03","90","","1717.7","0.8","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1, 4-bis (diphenylhydroxymethyl) benzene dimethylacetamide clathrate polymorph","","- C40 H44 N2 O4 -","- C40 H44 N2 O4 -","- C80 H88 N4 O8 -","2","0.5","","Jacobs, Ayesha; Nassimbeni, Luigi R.; Silwana, Nothemba; Báthori, Nikoletta B.; Weber, Edwin","Inclusion of 1,4-bis(diphenylhydroxymethyl)benzene with amides: structure and selectivity","CrystEngComm","2011","13","23","7014","","10.1039/c1ce05647f","","","0.71073","MoKα","","0.0452","0.0369","","","0.0929","0.0999","","","","","","1.046","","","","has coordinates,has disorder","180399","2020-10-21","18:00:00",""
"7206806","7.6923","0.0011","9.1752","0.0013","12.7495","0.0018","77.96","0.003","76.026","0.003","66.76","0.002","795.9","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","1, 4-bis (diphenylhydroxymethyl) benzene dimethylformamide clathrate","","- C38 H40 N2 O4 -","- C38 H40 N2 O4 -","- C38 H40 N2 O4 -","1","0.5","","Jacobs, Ayesha; Nassimbeni, Luigi R.; Silwana, Nothemba; Báthori, Nikoletta B.; Weber, Edwin","Inclusion of 1,4-bis(diphenylhydroxymethyl)benzene with amides: structure and selectivity","CrystEngComm","2011","13","23","7014","","10.1039/c1ce05647f","","","0.71073","MoKα","","0.0499","0.0411","","","0.1068","0.1127","","","","","","1.036","","","","has coordinates,has disorder","180399","2020-10-21","18:00:00",""
"7206807","7.546","0.0012","26.221","0.004","9.1335","0.0013","90","","113.272","0.002","90","","1660.2","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1, 4-bis (diphenylhydroxymethyl) benzene N-methylacetamide clathrate","","- C38 H40 N2 O4 -","- C37.99 H40 N1.99 O4 -","- C75.98 H80 N3.98 O8 -","2","0.5","","Jacobs, Ayesha; Nassimbeni, Luigi R.; Silwana, Nothemba; Báthori, Nikoletta B.; Weber, Edwin","Inclusion of 1,4-bis(diphenylhydroxymethyl)benzene with amides: structure and selectivity","CrystEngComm","2011","13","23","7014","","10.1039/c1ce05647f","","","0.71073","MoKα","","0.0786","0.0539","","","0.1304","0.1446","","","","","","1.023","","","","has coordinates,has disorder","180399","2020-10-21","18:00:00",""
"7206808","8.276","0.0017","8.992","0.0018","18.972","0.004","84.68","0.03","89.23","0.03","67.92","0.03","1302.3","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","1, 4-bis (diphenylhydroxymethyl) benzene N-methylformamide clathrate","","- C34 H31 N O3 -","- C34 H31 N O3 -","- C68 H62 N2 O6 -","2","1","","Jacobs, Ayesha; Nassimbeni, Luigi R.; Silwana, Nothemba; Báthori, Nikoletta B.; Weber, Edwin","Inclusion of 1,4-bis(diphenylhydroxymethyl)benzene with amides: structure and selectivity","CrystEngComm","2011","13","23","7014","","10.1039/c1ce05647f","","","0.71073","MoKα","","0.0694","0.0462","","","0.1059","0.1213","","","","","","1.042","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206809","10.3078","0.0006","10.8225","0.0006","11.6724","0.0006","77.501","0.002","77.642","0.001","88.44","0.001","1241.56","0.12","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","1, 4-bis (diphenylhydroxymethyl) benzene dihydrate","","- C32 H30 O4 -","- C32 H30 O4 -","- C64 H60 O8 -","2","1","","Jacobs, Ayesha; Nassimbeni, Luigi R.; Silwana, Nothemba; Báthori, Nikoletta B.; Weber, Edwin","Inclusion of 1,4-bis(diphenylhydroxymethyl)benzene with amides: structure and selectivity","CrystEngComm","2011","13","23","7014","","10.1039/c1ce05647f","","","0.71073","MoKα","","0.0432","0.0376","","","0.0945","0.099","","","","","","1.025","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206810","11.226","0.005","15.635","0.005","18.927","0.005","90.957","0.005","93.269","0.005","104.534","0.005","3209","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H40 N8 O40 Si W12 -","- C40 H40 N8 O40 Si W12 -","- C80 H80 N16 O80 Si2 W24 -","2","1","","Pang, Hai-jun; Ma, Hui-yuan; Peng, Jun; Zhang, Chun-jing; Zhang, Peng-peng; Su, Zhong-min","Study of a hydrothermal reaction system of copper, imidazole and polyoxometalates: selective assembly of a 3D porous metal‒organic pseudo-rotaxane framework and encapsulation of polyoxometalate clusters","CrystEngComm","2011","13","23","7079","","10.1039/c1ce05648d","","","0.71069","MoKα","","0.1208","0.0728","","","0.1769","0.2031","","","","","","1.051","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206811","41.293","0.004","20.8098","0.0006","21.1399","0.0006","90","","116.333","0.002","90","","16280.5","1.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H60 Co N12 O40 W12 -","- C60 H52 Co N12 O40 W12 -","- C480 H416 Co8 N96 O320 W96 -","8","1","","Pang, Hai-jun; Ma, Hui-yuan; Peng, Jun; Zhang, Chun-jing; Zhang, Peng-peng; Su, Zhong-min","Study of a hydrothermal reaction system of copper, imidazole and polyoxometalates: selective assembly of a 3D porous metal‒organic pseudo-rotaxane framework and encapsulation of polyoxometalate clusters","CrystEngComm","2011","13","23","7079","","10.1039/c1ce05648d","","","0.71073","MoKα","","0.088","0.0546","","","0.1561","0.1758","","","","","","1.031","","","","has coordinates,has disorder","180399","2020-10-21","18:00:00",""
"7206812","22.274","0.003","22.274","0.003","16.94","0.003","90","","90","","120","","7278.5","1.9","173","2","173","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C7 H16 Ag2 N8 O7 -","- C7 H10 Ag2 N8 O4 -","- C126 H180 Ag36 N144 O72 -","18","0.5","","Sun, Di; Li, Yun-Hua; Wu, Shu-Ting; Hao, Hong-Jun; Liu, Fu-Jing; Huang, Rong-Bin; Zheng, Lan-Sun","An unprecedented (4,24)-connected metal‒organic framework sustained by nanosized Ag12 cuboctahedral node","CrystEngComm","2011","13","24","7311","","10.1039/c1ce05672g","","","0.71073","MoKα","","0.0212","0.0205","","","0.059","0.0594","","","","","","1.138","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206813","22.1713","0.0016","22.1713","0.0016","16.947","0.002","90","","90","","120","","7214.5","1.1","173","2","173","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C7 H10 Ag2 N8 O4 -","- C7 H10 Ag2 N8 O4 -","- C126 H180 Ag36 N144 O72 -","18","0.5","","Sun, Di; Li, Yun-Hua; Wu, Shu-Ting; Hao, Hong-Jun; Liu, Fu-Jing; Huang, Rong-Bin; Zheng, Lan-Sun","An unprecedented (4,24)-connected metal‒organic framework sustained by nanosized Ag12 cuboctahedral node","CrystEngComm","2011","13","24","7311","","10.1039/c1ce05672g","","","0.71073","MoKα","","0.0304","0.0294","","","0.0788","0.0796","","","","","","1.084","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206814","39.005","0.006","17.221","0.003","16.817","0.003","90","","92.326","0.003","90","","11287","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H60 Cu3 N10 O22 -","- C50 H52 Cu3 N10 O22 -","- C400 H416 Cu24 N80 O176 -","8","1","","Han, Zheng-Bo; Zhang, Ming-Yang; Yuan, Da-Qiang; Fu, Shuai; Zhang, Guo-Xin; Wang, Xiao-Fang","Two unique self-penetrating metal‒organic frameworks based on flexible tripodal ligands, Cu(ii) and N-containing bridging ligands","CrystEngComm","2011","13","23","6945","","10.1039/c1ce05749a","","","0.71073","MoKα","","0.0808","0.0581","","","0.1488","0.1649","","","","","","1.018","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206815","19.352","0.003","10.6369","0.0014","26.107","0.003","90","","102.614","0.003","90","","5244.3","1.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H22 Cu N5 O9.5 -","- C22 H21 Cu N5 O9.5 -","- C176 H168 Cu8 N40 O76 -","8","1","","Han, Zheng-Bo; Zhang, Ming-Yang; Yuan, Da-Qiang; Fu, Shuai; Zhang, Guo-Xin; Wang, Xiao-Fang","Two unique self-penetrating metal‒organic frameworks based on flexible tripodal ligands, Cu(ii) and N-containing bridging ligands","CrystEngComm","2011","13","23","6945","","10.1039/c1ce05749a","","","0.71073","MoKα","","0.0875","0.0742","","","0.2073","0.2188","","","","","","1.095","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206816","17.379","0.005","9.906","0.005","22.043","0.005","90","0.005","90","0.005","90","0.005","3795","2","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C17 H8 In N0 O8 -","- C17 H8 In O8 -","- C68 H32 In4 O32 -","4","0.5","","Xiong, Shunshun; Li, Shujuan; Wang, Sujing; Wang, Zhiyong","Multi-functional metal‒organic frameworks based on H4mdip: Crystal structure, photoluminescence, selective ion-exchange and catalysis","CrystEngComm","2011","13","24","7236","","10.1039/c1ce05751k","","","1.54184","CuKα","","0.0851","0.0695","","","0.1774","0.1812","","","","","","1.027","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206817","26.6496","0.0005","11.4204","0.0002","17.5511","0.0003","90","","90","","90","","5341.66","0.16","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C37 H24 Co2 N4 O8 -","- C37 H24 Co2 N4 O8 -","- C148 H96 Co8 N16 O32 -","4","1","","Xiong, Shunshun; Li, Shujuan; Wang, Sujing; Wang, Zhiyong","Multi-functional metal‒organic frameworks based on H4mdip: Crystal structure, photoluminescence, selective ion-exchange and catalysis","CrystEngComm","2011","13","24","7236","","10.1039/c1ce05751k","","","1.54184","CuKα","","0.0508","0.0355","","","0.0713","0.0756","","","","","","1.002","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206818","14.687","0.005","18.524","0.005","16.622","0.005","90","0.005","90","0.005","90","0.005","4522","2","200","2","200","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C41 H28 N4 O8 Zn2 -","- C41 H28 N4 O8 Zn2 -","- C164 H112 N16 O32 Zn8 -","4","","","Xiong, Shunshun; Li, Shujuan; Wang, Sujing; Wang, Zhiyong","Multi-functional metal‒organic frameworks based on H4mdip: Crystal structure, photoluminescence, selective ion-exchange and catalysis","CrystEngComm","2011","13","24","7236","","10.1039/c1ce05751k","","","0.71073","MoKα","","0.049","0.0425","","","0.1106","0.1159","","","","","","1.04","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206819","19.8876","0.0004","19.8876","0.0004","19.1704","0.0006","90","","90","","120","","6566.4","0.3","293","2","293","2","","","","","","","","5","P 32","P 32","145","","","","- C69 H51 Co4 N7 O18 -","- C69 H51 Co4 N7 O18 -","- C207 H153 Co12 N21 O54 -","3","1","","Xiong, Shunshun; Li, Shujuan; Wang, Sujing; Wang, Zhiyong","Multi-functional metal‒organic frameworks based on H4mdip: Crystal structure, photoluminescence, selective ion-exchange and catalysis","CrystEngComm","2011","13","24","7236","","10.1039/c1ce05751k","","","0.71073","MoKα","","0.0883","0.0732","","","0.2113","0.2179","","","","","","1.05","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206820","15.2175","0.0019","29.825","0.003","21.3743","0.0018","90","","120.124","0.006","90","","8390.8","1.6","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C384 H288 Cu12 Eu8 N32 O88 -","- C384 H288 Cu12 Eu8 N32 O88 -","- C384 H288 Cu12 Eu8 N32 O88 -","1","0.25","","Zhang, Man-Bo; Chen, Hao-Min; Hu, Rui-Xiang; Chen, Zi-Lu","Heterometallic coordination polymers containing unique inorganic chain of [Lniii2Cuii3(OH)4]: syntheses, structures and magnetism","CrystEngComm","2011","13","23","7019","","10.1039/c1ce05825h","","","0.71073","MoKα","","0.0589","0.0484","","","0.0913","0.0962","","","","","","1.111","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206821","15.211","0.003","29.834","0.006","21.305","0.008","90","","120.04","0.02","90","","8370","4","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C384 H284 Cu12 Gd8 N32 O88 -","- C384 H288 Cu12 Gd8 N32 O88 -","- C384 H288 Cu12 Gd8 N32 O88 -","1","0.25","","Zhang, Man-Bo; Chen, Hao-Min; Hu, Rui-Xiang; Chen, Zi-Lu","Heterometallic coordination polymers containing unique inorganic chain of [Lniii2Cuii3(OH)4]: syntheses, structures and magnetism","CrystEngComm","2011","13","23","7019","","10.1039/c1ce05825h","","","0.71073","MoKα","","0.0792","0.056","","","0.1016","0.1132","","","","","","1.073","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206822","15.144","0.002","30.066","0.005","21.804","0.003","90","","120.455","0.007","90","","8558","2","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C384 H292 Cu12 La8 N32 O88 -","- C384 H284 Cu12 La8 N32 O88 -","- C384 H284 Cu12 La8 N32 O88 -","1","0.25","","Zhang, Man-Bo; Chen, Hao-Min; Hu, Rui-Xiang; Chen, Zi-Lu","Heterometallic coordination polymers containing unique inorganic chain of [Lniii2Cuii3(OH)4]: syntheses, structures and magnetism","CrystEngComm","2011","13","23","7019","","10.1039/c1ce05825h","","","0.71073","MoKα","","0.1152","0.0729","","","0.1721","0.2019","","","","","","1.019","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206823","15.166","0.002","29.955","0.004","21.596","0.002","90","","120.309","0.007","90","","8470","1.9","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C384 H288 Cu12 N32 O88 Pr8 -","- C384 H288 Cu12 N32 O88 Pr8 -","- C384 H288 Cu12 N32 O88 Pr8 -","1","0.25","","Zhang, Man-Bo; Chen, Hao-Min; Hu, Rui-Xiang; Chen, Zi-Lu","Heterometallic coordination polymers containing unique inorganic chain of [Lniii2Cuii3(OH)4]: syntheses, structures and magnetism","CrystEngComm","2011","13","23","7019","","10.1039/c1ce05825h","","","0.71073","MoKα","","0.0775","0.0581","","","0.1143","0.1238","","","","","","1.104","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206824","15.2027","0.0019","29.845","0.004","21.4094","0.0018","90","","120.174","0.006","90","","8397.8","1.8","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C384 H292 Cu12 N32 O88 Sm8 -","- C384 H288 Cu12 N32 O88 Sm8 -","- C384 H288 Cu12 N32 O88 Sm8 -","1","0.25","","Zhang, Man-Bo; Chen, Hao-Min; Hu, Rui-Xiang; Chen, Zi-Lu","Heterometallic coordination polymers containing unique inorganic chain of [Lniii2Cuii3(OH)4]: syntheses, structures and magnetism","CrystEngComm","2011","13","23","7019","","10.1039/c1ce05825h","","","0.71073","MoKα","","0.0706","0.056","","","0.1195","0.1284","","","","","","1.102","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206825","13.036","0.003","34.721","0.006","23.393","0.005","90","","92.699","0.004","90","","10576","4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C86 H95 La2 N2 O17 S6 -","- C86 H72 La2 N2 O17 S6 -","- C344 H288 La8 N8 O68 S24 -","4","1","","Cui, Peipei; Dou, Jianmin; Sun, Di; Dai, Fangna; Wang, Suna; Sun, Daofeng; Wu, Qingyin","Reaction vessel- and concentration-induced supramolecular isomerism in layered lanthanide-organic frameworks","CrystEngComm","2011","13","23","6968","","10.1039/c1ce05839h","","","0.71073","MoKα","","0.1127","0.0591","","","0.138","0.1567","","","","","","0.918","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206826","9.8233","0.0005","13.2039","0.0007","15.9391","0.0008","113.863","0.001","96.308","0.001","92.677","0.001","1869.74","0.17","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H84 La2 O17 S6 -","- C78 H80 La2 O17 S6 -","- C78 H80 La2 O17 S6 -","1","0.5","","Cui, Peipei; Dou, Jianmin; Sun, Di; Dai, Fangna; Wang, Suna; Sun, Daofeng; Wu, Qingyin","Reaction vessel- and concentration-induced supramolecular isomerism in layered lanthanide-organic frameworks","CrystEngComm","2011","13","23","6968","","10.1039/c1ce05839h","","","0.71073","MoKα","","0.0438","0.0323","","","0.0761","0.083","","","","","","0.941","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206827","12.668","0.002","14.585","0.003","17.323","0.003","113.754","0.002","109.044","0.002","90.263","0.002","2734.7","0.9","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C96 H122 La2 N6 O22 S6 -","- C93 H111 La2 N5 O20 S6 -","- C93 H111 La2 N5 O20 S6 -","1","0.5","","Cui, Peipei; Dou, Jianmin; Sun, Di; Dai, Fangna; Wang, Suna; Sun, Daofeng; Wu, Qingyin","Reaction vessel- and concentration-induced supramolecular isomerism in layered lanthanide-organic frameworks","CrystEngComm","2011","13","23","6968","","10.1039/c1ce05839h","","","0.71073","MoKα","","0.0446","0.0379","","","0.1101","0.1152","","","","","","1.043","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206828","5.4867","0.0002","42.1629","0.0016","9.0036","0.0003","90","","90.131","0.004","90","","2082.84","0.13","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H26 N4 O2 -","- C24 H26 N4 O2 -","- C96 H104 N16 O8 -","4","2","","Martí-Centelles, Vicente; Kumar, D. Krishna; White, Andrew J. P.; Luis, Santiago V.; Vilar, Ramon","Zinc(ii) coordination polymers with pseudopeptidic ligands","CrystEngComm","2011","13","23","6997","","10.1039/c1ce05872j","","","1.54184","CuKα","","0.0682","0.0648","","","0.1597","0.1614","","","","","","1.109","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206829","5.22808","0.00005","9.49693","0.00009","16.70757","0.00016","90","","95.6549","0.0009","90","","825.506","0.014","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H26 N4 O2 -","- C16 H26 N4 O2 -","- C32 H52 N8 O4 -","2","1","","Martí-Centelles, Vicente; Kumar, D. Krishna; White, Andrew J. P.; Luis, Santiago V.; Vilar, Ramon","Zinc(ii) coordination polymers with pseudopeptidic ligands","CrystEngComm","2011","13","23","6997","","10.1039/c1ce05872j","","","1.54184","CuKα","","0.0286","0.0271","","","0.0705","0.0717","","","","","","1.047","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206830","13.9923","0.0002","14.3096","0.0002","32.6979","0.0005","90","","90","","90","","6546.91","0.16","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H37.5 N4 O10.75 S Zn -","- C24 H20 N4 O10.25 S Zn -","- C192 H160 N32 O82 S8 Zn8 -","8","2","","Martí-Centelles, Vicente; Kumar, D. Krishna; White, Andrew J. P.; Luis, Santiago V.; Vilar, Ramon","Zinc(ii) coordination polymers with pseudopeptidic ligands","CrystEngComm","2011","13","23","6997","","10.1039/c1ce05872j","","","0.71073","MoKα","","0.079","0.0636","","","0.1622","0.168","","","","","","1.038","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7206831","13.37139","0.00006","13.37139","0.00006","41.4227","0.0002","90","","90","","120","","6413.9","0.05","173","2","173","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C37 H46 Br2 N6 O5.5 Zn -","- C37 H41.5 Br2 N6 O5.5 Zn -","- C222 H249 Br12 N36 O33 Zn6 -","6","1","","Martí-Centelles, Vicente; Kumar, D. Krishna; White, Andrew J. P.; Luis, Santiago V.; Vilar, Ramon","Zinc(ii) coordination polymers with pseudopeptidic ligands","CrystEngComm","2011","13","23","6997","","10.1039/c1ce05872j","","","1.54184","CuKα","","0.0253","0.0249","","","0.077","0.0772","","","","","","1.135","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7206832","11.63262","0.00009","11.63262","0.00009","39.8175","0.0003","90","","90","","120","","4666.16","0.06","173","2","173","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- C24 H42.17 N6 O8.58 S Zn -","- C24 H39 N6 O8.58 S Zn -","- C144 H234 N36 O51.48 S6 Zn6 -","6","0.333333","","Martí-Centelles, Vicente; Kumar, D. Krishna; White, Andrew J. P.; Luis, Santiago V.; Vilar, Ramon","Zinc(ii) coordination polymers with pseudopeptidic ligands","CrystEngComm","2011","13","23","6997","","10.1039/c1ce05872j","","","1.54184","CuKα","","0.0324","0.0324","","","0.0928","0.0928","","","","","","1.038","","","","has coordinates,has disorder","180399","2020-10-21","18:00:00",""
"7206833","39.03","0.002","11.8817","0.0002","27.633","0.0013","90","","123.78","0.007","90","","10651.2","1.2","173","","173","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C76 H154 Br6 N16 O21 Zn3 -","- C64 H80 Br6 N16 O8 Zn3 -","- C256 H320 Br24 N64 O32 Zn12 -","4","1","","Martí-Centelles, Vicente; Kumar, D. Krishna; White, Andrew J. P.; Luis, Santiago V.; Vilar, Ramon","Zinc(ii) coordination polymers with pseudopeptidic ligands","CrystEngComm","2011","13","23","6997","","10.1039/c1ce05872j","","","1.54184","CuKα","","0.0441","0.0388","","","0.1085","0.1254","","","","","","1.106","","","","has coordinates,has disorder","180399","2020-10-21","18:00:00",""
"7206834","10.1765","0.0001","16.0472","0.0002","20.1566","0.0002","90","","95.619","0.001","90","","3275.84","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H27 N7 O5 Zn -","- C35 H25 N7 O5 Zn -","- C140 H100 N28 O20 Zn4 -","4","1","","Wu, Hua; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin; Liu, Hai-Yan","Diverse topologies of six coordination polymers constructed from a tris(4-imidazolylphenyl)amine ligand and different carboxylates","CrystEngComm","2011","13","23","7121","","10.1039/c1ce05889d","","","1.54184","CuKα","","0.0634","0.0472","","","0.1346","0.1505","","","","","","0.921","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206835","21.4447","0.001","16.3875","0.0006","10.392","0.0005","90","","90","","90","","3652","0.3","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C36 H28 N7 O9 S0 Zn2 -","- C36 H24 N7 O9 Zn2 -","- C144 H96 N28 O36 Zn8 -","4","1","","Wu, Hua; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin; Liu, Hai-Yan","Diverse topologies of six coordination polymers constructed from a tris(4-imidazolylphenyl)amine ligand and different carboxylates","CrystEngComm","2011","13","23","7121","","10.1039/c1ce05889d","","","0.71073","MoKα","","0.1046","0.0497","","","0.1022","0.1156","","","","","","0.902","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206836","17.797","0.0004","7.73","0.0002","26.675","0.0006","90","","93.466","0.002","90","","3662.99","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C74 H53 N14 O23 Zn4 -","- C74 H46 N14 O23 Zn4 -","- C148 H92 N28 O46 Zn8 -","2","0.5","","Wu, Hua; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin; Liu, Hai-Yan","Diverse topologies of six coordination polymers constructed from a tris(4-imidazolylphenyl)amine ligand and different carboxylates","CrystEngComm","2011","13","23","7121","","10.1039/c1ce05889d","","","0.71069","MoKα","","0.0648","0.038","","","0.0765","0.0808","","","","","","0.89","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206837","11.3128","0.0008","29.2377","0.0018","10.1543","0.0005","90","","109.132","0.006","90","","3173.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H27 Mn N7 O5 -","- C35 H27 Mn N7 O5 -","- C140 H108 Mn4 N28 O20 -","4","1","","Wu, Hua; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin; Liu, Hai-Yan","Diverse topologies of six coordination polymers constructed from a tris(4-imidazolylphenyl)amine ligand and different carboxylates","CrystEngComm","2011","13","23","7121","","10.1039/c1ce05889d","","","0.71073","MoKα","","0.1287","0.0418","","","0.0403","0.0468","","","","","","0.806","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206838","13.889","0.0013","15.758","0.001","21.96","0.0012","91.108","0.005","107.134","0.006","115.87","0.007","4071.1","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C145 H140 Cu4 N28 O31 -","- C145 H110 Cu4 N28 O31 -","- C145 H110 Cu4 N28 O31 -","1","0.5","","Wu, Hua; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin; Liu, Hai-Yan","Diverse topologies of six coordination polymers constructed from a tris(4-imidazolylphenyl)amine ligand and different carboxylates","CrystEngComm","2011","13","23","7121","","10.1039/c1ce05889d","","","0.71069","MoKα","","0.1324","0.0642","","","0.151","0.1693","","","","","","0.824","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206839","10.644","0.0005","10.723","0.0005","16.145","0.0009","92.596","0.004","103.076","0.004","96.167","0.004","1779.94","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H42 Co3 N14 O12 -","- C78 H30 Co3 N14 O12 -","- C78 H30 Co3 N14 O12 -","1","0.5","","Wu, Hua; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin; Liu, Hai-Yan","Diverse topologies of six coordination polymers constructed from a tris(4-imidazolylphenyl)amine ligand and different carboxylates","CrystEngComm","2011","13","23","7121","","10.1039/c1ce05889d","","","0.71069","MoKα","","0.15","0.0663","","","0.1415","0.1603","","","","","","0.836","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206840","7.275","0.0008","7.5246","0.0006","13.636","0.0013","100.54","0.001","99.328","0.001","108.548","0.002","676.03","0.11","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H13 N5 O4 -","- C12 H13 N5 O4 -","- C24 H26 N10 O8 -","2","1","","Jing-lin, Wang; Bin, Liu; Bin-sheng, Yang","A novel class of oligomeric and polymeric d10 metal complexes of asymmetrical N-heterocyclic ligand with strong π-stacking and hydrogen bonding: syntheses, structures, and photoluminescence","CrystEngComm","2011","13","23","7086","","10.1039/c1ce05890h","","","0.71073","MoKα","","0.0628","0.0395","","","0.0965","0.1143","","","","","","1.018","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206841","7.3001","0.001","9.2759","0.0012","11.6302","0.0015","83.155","0.001","87.769","0.002","88.654","0.002","781.19","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H11 Cd Cl2 N5 O3 -","- C12 H11 Cd Cl2 N5 O3 -","- C24 H22 Cd2 Cl4 N10 O6 -","2","1","","Jing-lin, Wang; Bin, Liu; Bin-sheng, Yang","A novel class of oligomeric and polymeric d10 metal complexes of asymmetrical N-heterocyclic ligand with strong π-stacking and hydrogen bonding: syntheses, structures, and photoluminescence","CrystEngComm","2011","13","23","7086","","10.1039/c1ce05890h","","","0.71073","MoKα","","0.0349","0.0265","","","0.0579","0.0641","","","","","","1.064","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206842","11.9014","0.0012","11.9685","0.0013","15.4255","0.0016","90.413","0.001","93.298","0.001","108.853","0.002","2075.1","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H18 Cl2 Hg N6 O4 -","- C15 H18 Cl2 Hg N6 O4 -","- C60 H72 Cl8 Hg4 N24 O16 -","4","2","","Jing-lin, Wang; Bin, Liu; Bin-sheng, Yang","A novel class of oligomeric and polymeric d10 metal complexes of asymmetrical N-heterocyclic ligand with strong π-stacking and hydrogen bonding: syntheses, structures, and photoluminescence","CrystEngComm","2011","13","23","7086","","10.1039/c1ce05890h","","","0.71073","MoKα","","0.1549","0.0945","","","0.236","0.273","","","","","","1.003","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206843","7.5944","0.0008","12.6407","0.0013","16.4624","0.0016","90","","93.97","0.001","90","","1576.6","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 Cl2 N5 O3 Zn -","- C12 H11 Cl2 N5 O3 Zn -","- C48 H44 Cl8 N20 O12 Zn4 -","4","1","","Jing-lin, Wang; Bin, Liu; Bin-sheng, Yang","A novel class of oligomeric and polymeric d10 metal complexes of asymmetrical N-heterocyclic ligand with strong π-stacking and hydrogen bonding: syntheses, structures, and photoluminescence","CrystEngComm","2011","13","23","7086","","10.1039/c1ce05890h","","","0.71073","MoKα","","0.0633","0.0368","","","0.0767","0.085","","","","","","0.944","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206844","11.8049","0.0012","10.08","0.001","13.9721","0.0015","90","","105.108","0.001","90","","1605.1","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 K N6 O6 -","- C12 H11 K N6 O6 -","- C48 H44 K4 N24 O24 -","4","1","","Jing-lin, Wang; Bin, Liu; Bin-sheng, Yang","A novel class of oligomeric and polymeric d10 metal complexes of asymmetrical N-heterocyclic ligand with strong π-stacking and hydrogen bonding: syntheses, structures, and photoluminescence","CrystEngComm","2011","13","23","7086","","10.1039/c1ce05890h","","","0.71073","MoKα","","0.1382","0.0629","","","0.1482","0.2036","","","","","","1.029","","","","has coordinates,has disorder","180399","2020-10-21","18:00:00",""
"7206845","11.4997","0.0003","11.122","0.0004","22.5876","0.0006","90","","91.285","0.002","90","","2888.22","0.15","193","2","193","2","","","","","","","synthesis as described","4","P 1 2/c 1","-P 2yc","13","","","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C136 H112 N16 O16 -","8","2","","Artigau, Marine; Bonnet, Antoine; Ladeira, Sonia; Hoffmann, Pascal; Vigroux, Alain","A free-base dipyrrin capable of forming extended architectures comparable to those of its metal(ii) complex counterparts","CrystEngComm","2011","13","23","7149","","10.1039/c1ce05913k","","x-ray","0.71073","MoKα","","0.1025","0.0505","","","0.1167","0.1377","","","","","","1.033","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206846","22.9274","0.0008","21.1264","0.0008","23.173","0.0009","90","","90.436","0.002","90","","11224.1","0.7","193","2","193","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H26 N4 Ni O4 -","- C34 H26 N4 Ni O4 -","- C544 H416 N64 Ni16 O64 -","16","2","","Artigau, Marine; Bonnet, Antoine; Ladeira, Sonia; Hoffmann, Pascal; Vigroux, Alain","A free-base dipyrrin capable of forming extended architectures comparable to those of its metal(ii) complex counterparts","CrystEngComm","2011","13","23","7149","","10.1039/c1ce05913k","","x-ray","0.71073","MoKα","","0.2078","0.0562","","","0.0949","0.123","","","","","","0.745","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206847","11.532","0.0013","11.0426","0.001","22.891","0.003","90","","90.073","0.004","90","","2915","0.6","193","2","193","2","","","","","","","synthesis as described","5","P 1 2/c 1","-P 2yc","13","","","","- C34 H26 N4 O4 Zn -","- C34 H26 N4 O4 Zn -","- C136 H104 N16 O16 Zn4 -","4","1","","Artigau, Marine; Bonnet, Antoine; Ladeira, Sonia; Hoffmann, Pascal; Vigroux, Alain","A free-base dipyrrin capable of forming extended architectures comparable to those of its metal(ii) complex counterparts","CrystEngComm","2011","13","23","7149","","10.1039/c1ce05913k","","x-ray","0.71073","MoKα","","0.1044","0.0486","","","0.0962","0.1161","","","","","","1.006","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206848","23.0164","0.0006","20.789","0.0006","23.3891","0.0007","90","","90.592","0.002","90","","11190.8","0.5","180","2","180","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H26 Cu N4 O4 -","- C34 H26 Cu N4 O4 -","- C544 H416 Cu16 N64 O64 -","16","2","","Artigau, Marine; Bonnet, Antoine; Ladeira, Sonia; Hoffmann, Pascal; Vigroux, Alain","A free-base dipyrrin capable of forming extended architectures comparable to those of its metal(ii) complex counterparts","CrystEngComm","2011","13","23","7149","","10.1039/c1ce05913k","","x-ray","0.71073","MoKα","","0.123","0.0481","","","0.108","0.125","","","","","","0.878","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206849","5.6828","0.0003","7.6675","0.0004","16.4091","0.0009","96.408","0.004","95.194","0.004","95.251","0.004","703.87","0.07","193","2","193","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C17 H16 N2 O2 -","- C17 H16 N2 O2 -","- C34 H32 N4 O4 -","2","1","","Artigau, Marine; Bonnet, Antoine; Ladeira, Sonia; Hoffmann, Pascal; Vigroux, Alain","A free-base dipyrrin capable of forming extended architectures comparable to those of its metal(ii) complex counterparts","CrystEngComm","2011","13","23","7149","","10.1039/c1ce05913k","","x-ray","0.71073","MoKα","","0.114","0.0652","","","0.1495","0.1763","","","","","","1.026","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206850","10.4417","0.0003","7.8434","0.0003","12.2703","0.0004","90","","111.164","0.001","90","","937.14","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H4 N O6 U -","- C7 H4 N O6 U -","- C28 H16 N4 O24 U4 -","4","1","","Andrews, Michael B.; Cahill, Christopher L.","In situ oxalate formation during hydrothermal synthesis of uranyl hybrid materials","CrystEngComm","2011","13","23","7068","","10.1039/c1ce05934c","","","0.71073","MoKα","","0.0278","0.0213","","","0.0512","0.054","","","","","","1.044","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206851","8.4634","0.0003","13.0284","0.0005","11.8917","0.0006","90","","96.821","0.001","90","","1301.95","0.09","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H8 N2 O6 U -","- C12 H8 N2 O6 U -","- C48 H32 N8 O24 U4 -","4","1","","Andrews, Michael B.; Cahill, Christopher L.","In situ oxalate formation during hydrothermal synthesis of uranyl hybrid materials","CrystEngComm","2011","13","23","7068","","10.1039/c1ce05934c","","","0.71073","MoKα","","0.0433","0.0341","","","0.0721","0.0754","","","","","","1.088","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206852","6.289","0.0017","7.949","0.002","8.347","0.002","79.554","0.004","87.819","0.004","79.199","0.004","403.09","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H4 N O5 U -","- C6 H4 N O5 U -","- C12 H8 N2 O10 U2 -","2","1","","Andrews, Michael B.; Cahill, Christopher L.","In situ oxalate formation during hydrothermal synthesis of uranyl hybrid materials","CrystEngComm","2011","13","23","7068","","10.1039/c1ce05934c","","","0.71073","MoKα","","0.0307","0.0276","","","0.0596","0.0603","","","","","","1.152","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206853","9.1584","0.0009","9.666","0.0009","11.1105","0.0011","90","","103.353","0.002","90","","956.97","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H5 N2 O7 U -","- C6 H5 N2 O7 U -","- C24 H20 N8 O28 U4 -","4","1","","Andrews, Michael B.; Cahill, Christopher L.","In situ oxalate formation during hydrothermal synthesis of uranyl hybrid materials","CrystEngComm","2011","13","23","7068","","10.1039/c1ce05934c","","","0.71073","MoKα","","0.0229","0.0207","","","0.0482","0.049","","","","","","1.076","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206854","13.5463","0.0015","6.6022","0.0007","8.3418","0.0009","90","","90","","90","","746.05","0.14","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C5 H3 N2 O5 U -","- C5 H3 N2 O5 U -","- C20 H12 N8 O20 U4 -","4","1","","Andrews, Michael B.; Cahill, Christopher L.","In situ oxalate formation during hydrothermal synthesis of uranyl hybrid materials","CrystEngComm","2011","13","23","7068","","10.1039/c1ce05934c","","","0.71073","MoKα","","0.0176","0.0142","","","0.028","0.0289","","","","","","1.042","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206855","6.2323","0.0012","6.779","0.0013","10.594","0.002","104.12","0.003","93.875","0.003","91.976","0.003","432.47","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C5 H10 N2 O6 U -","- C5 H3 N2 O6 U -","- C10 H6 N4 O12 U2 -","2","1","","Andrews, Michael B.; Cahill, Christopher L.","In situ oxalate formation during hydrothermal synthesis of uranyl hybrid materials","CrystEngComm","2011","13","23","7068","","10.1039/c1ce05934c","","","0.71073","MoKα","","0.0457","0.0367","","","0.0861","0.0896","","","","","","1.035","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206856","7.1576","0.0005","29.301","0.003","7.6537","0.0007","90","","91.699","0.004","90","","1604.5","0.2","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-hydroxynaphthalene-8-carbaldehyde cpd 15","","- C11 H8 O2 -","- C11 H8 O2 -","- C88 H64 O16 -","8","2","","Lari, Alberth; Pitak, Mateusz B.; Coles, Simon J.; Bresco, Emma; Belser, Peter; Beyeler, Andreas; Pilkington, Melanie; Wallis, John D.","The use of the triptycene framework for observing O⋯CO molecular interactions","CrystEngComm","2011","13","23","6978","","10.1039/c1ce05955f","","","0.71073","MoKα","","0.106","0.095","","","0.2343","0.2426","","","","","","1.168","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206857","14.0278","0.0003","7.9798","0.0002","15.6964","0.0004","90","","96.197","0.002","90","","1746.77","0.07","120","2","120","2","","","","","","","","3","P 1 a 1","P -2ya","7","","1,4-Di(methoxy)triptycene-9,10-dicarbaldehyde cpd 20","","- C24 H18 O4 -","- C24 H18 O4 -","- C96 H72 O16 -","4","2","","Lari, Alberth; Pitak, Mateusz B.; Coles, Simon J.; Bresco, Emma; Belser, Peter; Beyeler, Andreas; Pilkington, Melanie; Wallis, John D.","The use of the triptycene framework for observing O⋯CO molecular interactions","CrystEngComm","2011","13","23","6978","","10.1039/c1ce05955f","","","0.71073","MoKα","","0.104","0.0616","","","0.1128","0.1326","","","","","","1.087","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206858","9.0118","0.0003","9.6549","0.0004","11.6967","0.0005","80.718","0.003","87.782","0.003","65.542","0.002","913.81","0.06","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","1,4-Dihydroxytriptycene-9,10-dicarbaldehyde acetonitrile solvate cpd 10.CH3CN","","- C24 H17 N O4 -","- C24 H17 N O4 -","- C48 H34 N2 O8 -","2","1","","Lari, Alberth; Pitak, Mateusz B.; Coles, Simon J.; Bresco, Emma; Belser, Peter; Beyeler, Andreas; Pilkington, Melanie; Wallis, John D.","The use of the triptycene framework for observing O⋯CO molecular interactions","CrystEngComm","2011","13","23","6978","","10.1039/c1ce05955f","","","0.71073","MoKα","","0.0845","0.0554","","","0.1316","0.1468","","","","","","1.043","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206859","9.3754","0.0007","9.6285","0.0007","11.447","0.0009","69.585","0.004","69.8","0.004","77.586","0.004","903.6","0.12","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","1,4-Dihydroxytriptycene-9,10-dicarbaldehyde ethyl acetate solvate cpd 19.0.75ethyl acetate","","- C25 H20 O5.5 -","- C22 H14 O4 -","- C44 H28 O8 -","2","1","","Lari, Alberth; Pitak, Mateusz B.; Coles, Simon J.; Bresco, Emma; Belser, Peter; Beyeler, Andreas; Pilkington, Melanie; Wallis, John D.","The use of the triptycene framework for observing O⋯CO molecular interactions","CrystEngComm","2011","13","23","6978","","10.1039/c1ce05955f","","","0.71073","MoKα","","0.1319","0.0697","","","0.184","0.2062","","","","","","0.961","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206860","21.837","0.002","9.2974","0.001","19.231","0.002","90","","100.008","0.003","90","","3845","0.7","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","9,10-Bis(1',3'-dioxolan-2'-yl)-1,4,4a,9a-tetrahydroanthracen-1,4-dione cpd 22","","- C26 H22 O6 -","- C26 H22 O6 -","- C208 H176 O48 -","8","1","","Lari, Alberth; Pitak, Mateusz B.; Coles, Simon J.; Bresco, Emma; Belser, Peter; Beyeler, Andreas; Pilkington, Melanie; Wallis, John D.","The use of the triptycene framework for observing O⋯CO molecular interactions","CrystEngComm","2011","13","23","6978","","10.1039/c1ce05955f","","","0.71073","MoKα","","0.058","0.0426","","","0.1058","0.1149","","","","","","1.022","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206861","8.875","0.005","11.139","0.005","14.195","0.005","104.562","0.005","91.046","0.005","106.311","0.005","1297.6","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H46 Co2 Mo8 N12 O28 -","- C30 H36 Co2 Mo8 N12 O28 -","- C30 H36 Co2 Mo8 N12 O28 -","1","0.5","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Ying-Ying; Wu, Hua; Yang, Jin","pH-Dependent assembly of two octamolybdate hybrid materials: A self-threading CdSO4-type framework and a 3D 4-connected framework","CrystEngComm","2011","13","23","7037","","10.1039/c1ce06000g","","","0.71069","MoKα","","0.0572","0.0395","","","0.0713","0.078","","","","","","1.012","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206862","11.7854","0.0006","15.6884","0.0008","19.6861","0.0011","90","","96.816","0.005","90","","3614.1","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H37 Co Mo4 N10 O14 -","- C25 H35 Co Mo4 N10 O14 -","- C100 H140 Co4 Mo16 N40 O56 -","4","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Ying-Ying; Wu, Hua; Yang, Jin","pH-Dependent assembly of two octamolybdate hybrid materials: A self-threading CdSO4-type framework and a 3D 4-connected framework","CrystEngComm","2011","13","23","7037","","10.1039/c1ce06000g","","","0.71073","MoKα","","0.0828","0.0493","","","0.0895","0.1087","","","","","","1.067","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206863","12.891","0.004","13.631","0.004","19.268","0.006","90","","102.985","0.004","90","","3299.1","1.7","295","2","295","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H26 Cu2 N10 O48 Si W12 -","- C36 H26 Cu2 N10 O48 Si W12 -","- C72 H52 Cu4 N20 O96 Si2 W24 -","2","0.5","","Ren, Yuanhang; Du, Chengbo; Feng, Sujiao; Wang, Chunling; Kong, Zuping; Yue, Bin; He, Heyong","Three POM-based coordination polymers: hydrothermal synthesis, characterization, and catalytic activity in epoxidation of styrene","CrystEngComm","2011","13","23","7143","","10.1039/c1ce06037f","","","0.71073","MoKα","","0.0968","0.0439","","","0.0558","0.0627","","","","","","0.787","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206864","11.861","0.004","13.626","0.004","17.618","0.006","106.194","0.005","97.216","0.005","91.492","0.005","2707.2","1.5","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H48 Cu4 N24 O49 Si W12 -","- C72 H48 Cu4 N24 O49 Si W12 -","- C72 H48 Cu4 N24 O49 Si W12 -","1","0.5","","Ren, Yuanhang; Du, Chengbo; Feng, Sujiao; Wang, Chunling; Kong, Zuping; Yue, Bin; He, Heyong","Three POM-based coordination polymers: hydrothermal synthesis, characterization, and catalytic activity in epoxidation of styrene","CrystEngComm","2011","13","23","7143","","10.1039/c1ce06037f","","","0.71073","MoKα","","0.1578","0.0612","","","0.1248","0.1432","","","","","","0.768","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206865","12.129","0.004","13.776","0.005","14.004","0.005","118.696","0.004","96.783","0.004","104.497","0.004","1907.3","1.2","293","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H32 Cu4 N16 O44 Si W12 -","- C48 H32 Cu4 N16 O44 Si W12 -","- C48 H32 Cu4 N16 O44 Si W12 -","1","0.5","","Ren, Yuanhang; Du, Chengbo; Feng, Sujiao; Wang, Chunling; Kong, Zuping; Yue, Bin; He, Heyong","Three POM-based coordination polymers: hydrothermal synthesis, characterization, and catalytic activity in epoxidation of styrene","CrystEngComm","2011","13","23","7143","","10.1039/c1ce06037f","","","0.71073","MoKα","","0.1132","0.103","","","0.2442","0.2477","","","","","","1.328","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206866","17.837","0.005","17.837","0.005","81.03","0.05","90","","90","","120","","22326","16","173","2","173","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C144 H126 N18 O44 Zn8 -","- C144 H126 N18 O44 Zn8 -","- C864 H756 N108 O264 Zn48 -","6","0.166667","","Rajput, Lalit; Hong, Seunghee; Liu, Xinfang; Oh, Minhak; Kim, Dongwook; Lah, Myoung Soo","An unprecedented twofold interpenetrated layered metal‒organic framework with a MoS2-H topology","CrystEngComm","2011","13","23","6926","","10.1039/c1ce06038d","","","0.71073","MoKα","","0.1608","0.1257","","","0.2593","0.2772","","","","","","1.189","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206867","5.0838","0.0004","17.9622","0.0015","10.4409","0.0007","90","","98.445","0.003","90","","943.09","0.13","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5-chloro-aspirin (form II)","2-acetyloxy-5-chlorobenzoic acid","","- C9 H7 Cl O4 -","- C9 H7 Cl O4 -","- C36 H28 Cl4 O16 -","4","1","","Solanko, Katarzyna A.; Bond., Andrew D.","Influence of impurities on the crystallisation of 5-X-aspirin and 5-X-aspirin anhydride polymorphs (X = Cl, Br, Me)","CrystEngComm","2011","13","23","6991","","10.1039/c1ce06065a","","","0.71073","MoKα","","0.0388","0.0311","","","0.0817","0.0862","","","","","","1.046","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206868","5.094","0.0002","17.8642","0.0007","10.6736","0.0004","90","","98.935","0.002","90","","959.51","0.06","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5-bromo-aspirin (form II)","2-acetyloxy-5-bromobenzoic acid","","- C9 H7 Br O4 -","- C9 H7 Br O4 -","- C36 H28 Br4 O16 -","4","1","","Solanko, Katarzyna A.; Bond., Andrew D.","Influence of impurities on the crystallisation of 5-X-aspirin and 5-X-aspirin anhydride polymorphs (X = Cl, Br, Me)","CrystEngComm","2011","13","23","6991","","10.1039/c1ce06065a","","","0.71073","MoKα","","0.0242","0.0203","","","0.0498","0.0516","","","","","","1.027","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206869","10.5412","0.0007","12.453","0.0008","13.5129","0.001","90","","90","","90","","1773.8","0.2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","5-Cl-aspirin anhydride (form I)","","","- C18 H12 Cl2 O7 -","- C18 H12 Cl2 O7 -","- C72 H48 Cl8 O28 -","4","1","","Solanko, Katarzyna A.; Bond., Andrew D.","Influence of impurities on the crystallisation of 5-X-aspirin and 5-X-aspirin anhydride polymorphs (X = Cl, Br, Me)","CrystEngComm","2011","13","23","6991","","10.1039/c1ce06065a","","","0.71073","MoKα","","0.0398","0.0299","","","0.0611","0.0647","","","","","","1.013","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206870","10.7838","0.0003","14.2206","0.0004","12.3774","0.0004","90","","107.635","0.003","90","","1808.9","0.1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5-Cl-aspirin anhydride (form II)","","","- C18 H12 Cl2 O7 -","- C18 H12 Cl2 O7 -","- C72 H48 Cl8 O28 -","4","1","","Solanko, Katarzyna A.; Bond., Andrew D.","Influence of impurities on the crystallisation of 5-X-aspirin and 5-X-aspirin anhydride polymorphs (X = Cl, Br, Me)","CrystEngComm","2011","13","23","6991","","10.1039/c1ce06065a","","","0.71073","MoKα","","0.0564","0.0396","","","0.0899","0.1019","","","","","","1.033","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206871","10.5579","0.0005","12.5176","0.0007","13.7487","0.0008","90","","90","","90","","1817.02","0.17","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","5-Br-aspirin anhydride (form I)","","","- C18 H12 Br2 O7 -","- C18 H12 Br2 O7 -","- C72 H48 Br8 O28 -","4","1","","Solanko, Katarzyna A.; Bond., Andrew D.","Influence of impurities on the crystallisation of 5-X-aspirin and 5-X-aspirin anhydride polymorphs (X = Cl, Br, Me)","CrystEngComm","2011","13","23","6991","","10.1039/c1ce06065a","","","0.71073","MoKα","","0.0206","0.0181","","","0.0387","0.0391","","","","","","0.985","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206872","16.9944","0.0007","7.9432","0.0004","14.033","0.0007","90","","105.825","0.002","90","","1822.52","0.15","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5-Br-aspirin anhydride (form II)","","","- C18 H12 Br2 O7 -","- C18 H12 Br2 O7 -","- C72 H48 Br8 O28 -","4","1","","Solanko, Katarzyna A.; Bond., Andrew D.","Influence of impurities on the crystallisation of 5-X-aspirin and 5-X-aspirin anhydride polymorphs (X = Cl, Br, Me)","CrystEngComm","2011","13","23","6991","","10.1039/c1ce06065a","","","0.71073","MoKα","","0.0346","0.0228","","","0.0466","0.0495","","","","","","1.014","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206873","9.9176","0.0009","9.9757","0.001","11.5419","0.0017","95.485","0.007","109.352","0.007","117.882","0.004","908.3","0.2","150","2","150","2","","","","","","","","3","P -1","-P 1","2","5-Me-aspirin anhydride (form I)","","","- C20 H18 O7 -","- C20 H18 O7 -","- C40 H36 O14 -","2","1","","Solanko, Katarzyna A.; Bond., Andrew D.","Influence of impurities on the crystallisation of 5-X-aspirin and 5-X-aspirin anhydride polymorphs (X = Cl, Br, Me)","CrystEngComm","2011","13","23","6991","","10.1039/c1ce06065a","","","0.71073","MoKα","","0.093","0.0454","","","0.095","0.1132","","","","","","1.003","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206874","20.749","0.002","8.3818","0.0008","10.6736","0.001","90","","97.44","0.005","90","","1840.7","0.3","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","5-Me-aspirin anhydride (form II)","","","- C20 H18 O7 -","- C20 H18 O7 -","- C80 H72 O28 -","4","1","","Solanko, Katarzyna A.; Bond., Andrew D.","Influence of impurities on the crystallisation of 5-X-aspirin and 5-X-aspirin anhydride polymorphs (X = Cl, Br, Me)","CrystEngComm","2011","13","23","6991","","10.1039/c1ce06065a","","","0.71073","MoKα","","0.0855","0.0401","","","0.0766","0.0855","","","","","","0.904","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206875","8.096","0.0002","9.838","0.0002","15.262","0.0005","90","","103.069","0.0009","90","","1184.11","0.05","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H13 N3 O S -","- C11 H13 N3 O S -","- C44 H52 N12 O4 S4 -","4","1","","Stefankiewicz, Artur R.; De Cian, André; Harrowfield, Jack","Helix-helix interactions ‒ homochirality and heterochirality","CrystEngComm","2011","13","24","7207","","10.1039/c1ce06081c","","","0.71073","MoKα","","0.0634","0.0473","","","0.1244","0.1346","","","","","","1.046","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7206876","10.198","0.0008","8.731","0.0012","17.664","0.002","90","","90","","90","","1572.8","0.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H9 N O3 -","- C8 H9 N O3 -","- C64 H72 N8 O24 -","8","1","","Stefankiewicz, Artur R.; De Cian, André; Harrowfield, Jack","Helix-helix interactions ‒ homochirality and heterochirality","CrystEngComm","2011","13","24","7207","","10.1039/c1ce06081c","","","0.71073","MoKα","","0.1859","0.0773","","","0.1358","0.1672","","","","","","1.05","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206877","4.8314","0.0002","15.4009","0.0006","15.6421","0.0005","90","","90","","90","","1163.9","0.08","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 N3 S -","- C12 H13 N3 S -","- C48 H52 N12 S4 -","4","1","","Lumpi, Daniel; Stöger, Berthold; Hametner, Christian; Kubel, Frank; Reider, Georg; Hagemann, Hans; Karpfen, Alfred; Fröhlich, Johannes","Modified ene‒yne compounds: a novel functional material with nonlinear optical properties","CrystEngComm","2011","13","24","7194","","10.1039/c1ce06093g","","","0.71073","MoKα","","0.0429","0.0295","","","0.0293","0.0301","","","","1.43","1.43","1.25","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206878","6.316","0.002","6.316","0.002","16.446","0.006","90","","90","","90","","656.1","0.4","296","2","296","2","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","","","- B H3 O10 P2 Ti -","- B H3 O10 P2 Ti -","- B4 H12 O40 P8 Ti4 -","4","0.125","","Shi, Hengzhen; Feng, Yuquan; Huang, Qunzeng; Qiu, Dongfang; Li, Min; Liu, Kecheng","Ti[BP2O7(OH)3]: The first titanium borophosphate containing novel anionic partial structure","CrystEngComm","2011","13","24","7185","","10.1039/c1ce06233f","","","0.71073","MoKα","","0.0776","0.0694","","","0.1906","0.1955","","","","","","1.176","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206879","11.0819","0.0006","7.9976","0.0004","9.985","0.0005","90","","94.048","0.001","90","","882.75","0.08","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","Isonicotinamide","","","- C6 H6 N2 O -","- C6 H6 N2 O -","- C36 H36 N12 O6 -","6","3","","Eccles, Kevin S.; Deasy, Rebecca E.; Fábián, László; Braun, Doris E.; Maguire, Anita R.; Lawrence, Simon E.","Expanding the crystal landscape of isonicotinamide: concomitant polymorphism and co-crystallisation","CrystEngComm","2011","13","23","6923","","10.1039/c1ce06320k","","","0.71073","MoKα","","0.0385","0.0352","","","0.0918","0.094","","","","","","1.168","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206880","5.1923","0.0011","9.466","0.003","12.259","0.003","90","","91.217","0.007","90","","602.4","0.3","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 N2 O -","- C6 H6 N2 O -","- C24 H24 N8 O4 -","4","1","","Eccles, Kevin S.; Deasy, Rebecca E.; Fábián, László; Braun, Doris E.; Maguire, Anita R.; Lawrence, Simon E.","Expanding the crystal landscape of isonicotinamide: concomitant polymorphism and co-crystallisation","CrystEngComm","2011","13","23","6923","","10.1039/c1ce06320k","","","0.71073","MoKα","","0.0548","0.0373","","","0.092","0.1005","","","","","","1.353","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206893","30.7287","0.0012","30.7287","0.0012","23.757","0.0012","90","","90","","120","","19427.2","1.5","100","2","100","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C240 H264 Br24 O24 S24 -","- C240 H264 Br24 O24 S24 -","- C720 H792 Br72 O72 S72 -","3","0.0833333","","Hamada, Fumio; Yamada, Manabu; Kondo, Yoshihiko; Ito, Shin-ichi; Akiba, Uichi","Channel structure for guest inclusion based on hexameric assembly of thiacalix[4]arene analogue","CrystEngComm","2011","13","23","6920","","10.1039/c1ce05813d","","","0.71075","MoKα","","0.0501","0.0377","","","0.0811","0.0862","","","","","","1.071","","","","has coordinates,has disorder","180399","2020-10-21","18:00:00",""
"7206894","40.284","0.006","40.284","0.006","17.66","0.003","90","","90","","90","","28659","8","173","2","173","2","","","","","","","","5","P 42/n m c :2","-P 4ac 2a","137","","","","- C102 H84 Cu3 N2 O21 -","- C103 H84.2404 Cu3 N2 O21 -","- C824.002 H673.923 Cu24 N16 O168 -","8","0.5","","Yu, Jin-Tao; Sun, Junliang; Huang, Zhi-Tang; Zheng, Qi-Yu","A novel 1D independent metal‒organic nanotube based on cyclotriveratrylene ligand","CrystEngComm","2012","14","1","112","","10.1039/c1ce05316g","","","0.71073","MoKα","","0.1259","0.1006","","","0.2562","0.2742","","","","","","1.137","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206895","12.9833","0.0007","25.7855","0.0014","30.5266","0.0017","90","","90","","90","","10219.7","1","120","2","120","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C25 H28 Co N4 O6 -","- C25 H24 Co N4 O6 -","- C400 H384 Co16 N64 O96 -","16","0.5","","Goswami, Arijit; Sengupta, Satirtha; Mondal, Raju","Construction of helical networks by using multiple V-shaped mixed ligand systems","CrystEngComm","2012","14","2","561","","10.1039/c1ce05380a","","","0.71073","MoKα","","0.0854","0.0529","","","0.1387","0.1591","","","","","","1.029","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206896","12.96","0.001","25.619","0.002","30.85","0.002","90","","90","","90","","10242.9","1.3","296","2","296","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C25 H28 N4 O6 Zn -","- C25 H24 N4 O6 Zn -","- C400 H384 N64 O96 Zn16 -","16","0.5","","Goswami, Arijit; Sengupta, Satirtha; Mondal, Raju","Construction of helical networks by using multiple V-shaped mixed ligand systems","CrystEngComm","2012","14","2","561","","10.1039/c1ce05380a","","","0.71073","MoKα","","0.0543","0.0406","","","0.1112","0.121","","","","","","1.065","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206897","9.6988","0.0006","15.9616","0.001","15.1735","0.0009","90","","98.865","0.002","90","","2320.9","0.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H24 Cd N4 O5 -","- C25 H24 Cd N4 O5 -","- C100 H96 Cd4 N16 O20 -","4","1","","Goswami, Arijit; Sengupta, Satirtha; Mondal, Raju","Construction of helical networks by using multiple V-shaped mixed ligand systems","CrystEngComm","2012","14","2","561","","10.1039/c1ce05380a","","","0.71073","MoKα","","0.0497","0.0322","","","0.069","0.0749","","","","","","1.048","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206898","9.6221","0.0002","9.6221","0.0002","48.4414","0.0013","90","","90","","120","","3884.07","0.15","120","2","120","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C25 H24 Co N4 O5 -","- C25 H24 Co N4 O5 -","- C150 H144 Co6 N24 O30 -","6","0.5","","Goswami, Arijit; Sengupta, Satirtha; Mondal, Raju","Construction of helical networks by using multiple V-shaped mixed ligand systems","CrystEngComm","2012","14","2","561","","10.1039/c1ce05380a","","","0.71073","MoKα","","0.0441","0.0371","","","0.0849","0.0874","","","","","","1.066","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206899","12.8829","0.0005","14.1565","0.0006","18.6819","0.0007","104.822","0.002","98.409","0.002","113.367","0.001","2903.5","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H67 Cu2 N9 O15 -","- C54 H67 Cu2 N9 O15 -","- C108 H134 Cu4 N18 O30 -","2","1","","Goswami, Arijit; Sengupta, Satirtha; Mondal, Raju","Construction of helical networks by using multiple V-shaped mixed ligand systems","CrystEngComm","2012","14","2","561","","10.1039/c1ce05380a","","","0.71073","MoKα","","0.1077","0.0579","","","0.121","0.1421","","","","","","1.042","","","","has coordinates,has disorder","180399","2020-10-21","18:00:00",""
"7206900","14.7437","0.0008","24.709","0.0013","20.6058","0.0011","90","","105.314","0.002","90","","7240.2","0.7","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29.88 H37.38 N5.63 Ni O7.63 -","- C28 H33 N5 Ni O7 -","- C224 H264 N40 Ni8 O56 -","8","1","","Goswami, Arijit; Sengupta, Satirtha; Mondal, Raju","Construction of helical networks by using multiple V-shaped mixed ligand systems","CrystEngComm","2012","14","2","561","","10.1039/c1ce05380a","","","0.71073","MoKα","","0.0847","0.0562","","","0.1425","0.1535","","","","","","0.984","","","","has coordinates,has disorder","180400","2020-10-21","18:00:00",""
"7206901","9.6491","0.0002","9.6491","0.0002","48.258","0.002","90","","90","","120","","3891.1","0.2","120","2","120","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C25 H24 N4 O5 Zn -","- C25 H24 N4 O5 Zn -","- C150 H144 N24 O30 Zn6 -","6","0.5","","Goswami, Arijit; Sengupta, Satirtha; Mondal, Raju","Construction of helical networks by using multiple V-shaped mixed ligand systems","CrystEngComm","2012","14","2","561","","10.1039/c1ce05380a","","","0.71073","MoKα","","0.0627","0.0604","","","0.1501","0.1511","","","","","","1.198","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206902","24.573","0.005","9.3013","0.0017","21.788","0.004","90","","110.754","0.007","90","","4656.7","1.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H24 Cu N4 O4 -","- C25 H24 Cu N4 O4 -","- C200 H192 Cu8 N32 O32 -","8","1","","Goswami, Arijit; Sengupta, Satirtha; Mondal, Raju","Construction of helical networks by using multiple V-shaped mixed ligand systems","CrystEngComm","2012","14","2","561","","10.1039/c1ce05380a","","","0.71073","MoKα","","0.0632","0.0393","","","0.097","0.1067","","","","","","1.044","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206903","19.562","0.0014","15.8621","0.0012","15.3525","0.0011","90","","90","","90","","4763.8","0.6","293","2","293","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C50 H50 N8 Ni O8 -","- C50 H50 N8 Ni O8 -","- C200 H200 N32 Ni4 O32 -","4","","","Goswami, Arijit; Sengupta, Satirtha; Mondal, Raju","Construction of helical networks by using multiple V-shaped mixed ligand systems","CrystEngComm","2012","14","2","561","","10.1039/c1ce05380a","","","0.71073","MoKα","","0.0311","0.0292","","","0.0757","0.0768","","","","","","1.078","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206904","7.5104","0.0007","11.904","0.001","29.32","0.003","90","","96.942","0.001","90","","2602.1","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H5 Br4 O2 Ru -","- C8 H5 Br4 O2 Ru -","- C64 H40 Br32 O16 Ru8 -","8","2","","Fuller, Rebecca O.; Griffith, Christopher S.; Koutsantonis, George A.; Lapere, Kim M.; Skelton, Brian W.; Spackman, Mark A.; White, Allan H.; Wild, Duncan A.","Supramolecular interactions between hexabromoethane and cyclopentadienyl ruthenium bromides: Halogen bonding or electrostatic organisation?","CrystEngComm","2012","14","3","804","","10.1039/c1ce05438d","","","0.71073","MoKα","","0.0597","0.0418","","","0.0901","0.0999","","","","","","1.07","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7206905","6.767","0.002","7.475","0.002","13.172","0.004","85.299","0.004","89.063","0.004","72.03","0.004","631.6","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H5 Br4 O2 Ru -","- C8 H5 Br4 O2 Ru -","- C16 H10 Br8 O4 Ru2 -","2","1","","Fuller, Rebecca O.; Griffith, Christopher S.; Koutsantonis, George A.; Lapere, Kim M.; Skelton, Brian W.; Spackman, Mark A.; White, Allan H.; Wild, Duncan A.","Supramolecular interactions between hexabromoethane and cyclopentadienyl ruthenium bromides: Halogen bonding or electrostatic organisation?","CrystEngComm","2012","14","3","804","","10.1039/c1ce05438d","","","0.71073","MoKα","","0.0652","0.0557","","","0.1466","0.1559","","","","","","1.032","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7206906","6.6793","0.001","10.676","0.002","12.15","0.002","90","","99.859","0.003","90","","853.6","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H5 Cl O2 Ru -","- C7 H5 Cl O2 Ru -","- C28 H20 Cl4 O8 Ru4 -","4","1","","Fuller, Rebecca O.; Griffith, Christopher S.; Koutsantonis, George A.; Lapere, Kim M.; Skelton, Brian W.; Spackman, Mark A.; White, Allan H.; Wild, Duncan A.","Seemingly simple group 8 cyclopentadienyl dicarbonyl metal halides: From little things, interesting things grow","CrystEngComm","2012","14","3","812","","10.1039/c1ce05439b","","","0.71073","MoKα","","0.0267","0.0242","","","0.0621","0.065","","","","","","0.938","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206907","6.5729","0.0012","10.455","0.002","12.066","0.002","90","","98.71","0.002","90","","819.6","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H5 Cl O2 Os -","- C7 H5 Cl O2 Os -","- C28 H20 Cl4 O8 Os4 -","4","1","","Fuller, Rebecca O.; Griffith, Christopher S.; Koutsantonis, George A.; Lapere, Kim M.; Skelton, Brian W.; Spackman, Mark A.; White, Allan H.; Wild, Duncan A.","Seemingly simple group 8 cyclopentadienyl dicarbonyl metal halides: From little things, interesting things grow","CrystEngComm","2012","14","3","812","","10.1039/c1ce05439b","","","0.71073","MoKα","","0.0288","0.0247","","","0.0722","0.0737","","","","","","1.195","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206908","6.7919","0.0008","7.8225","0.001","12.819","0.002","84.5","0.003","87.327","0.003","72.547","0.003","646.61","0.15","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H15 Cl O2 Ru -","- C12 H15 Cl O2 Ru -","- C24 H30 Cl2 O4 Ru2 -","2","1","","Fuller, Rebecca O.; Griffith, Christopher S.; Koutsantonis, George A.; Lapere, Kim M.; Skelton, Brian W.; Spackman, Mark A.; White, Allan H.; Wild, Duncan A.","Seemingly simple group 8 cyclopentadienyl dicarbonyl metal halides: From little things, interesting things grow","CrystEngComm","2012","14","3","812","","10.1039/c1ce05439b","","","0.71073","MoKα","","0.0394","0.0295","","","0.0738","0.0772","","","","","","0.988","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7206909","12.0242","0.001","7.9991","0.0007","14.1805","0.0012","90","","106.583","0.002","90","","1307.19","0.19","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 Cl O2 Ru -","- C12 H15 Cl O2 Ru -","- C48 H60 Cl4 O8 Ru4 -","4","1","","Fuller, Rebecca O.; Griffith, Christopher S.; Koutsantonis, George A.; Lapere, Kim M.; Skelton, Brian W.; Spackman, Mark A.; White, Allan H.; Wild, Duncan A.","Seemingly simple group 8 cyclopentadienyl dicarbonyl metal halides: From little things, interesting things grow","CrystEngComm","2012","14","3","812","","10.1039/c1ce05439b","","","0.71073","MoKα","","0.0457","0.0288","","","0.0688","0.0726","","","","","","0.923","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206910","8.4488","0.0013","9.9193","0.0015","11.619","0.002","90","","107.559","0.002","90","","928.4","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H7 Cl O2 Ru -","- C8 H7 Cl O2 Ru -","- C32 H28 Cl4 O8 Ru4 -","4","1","","Fuller, Rebecca O.; Griffith, Christopher S.; Koutsantonis, George A.; Lapere, Kim M.; Skelton, Brian W.; Spackman, Mark A.; White, Allan H.; Wild, Duncan A.","Seemingly simple group 8 cyclopentadienyl dicarbonyl metal halides: From little things, interesting things grow","CrystEngComm","2012","14","3","812","","10.1039/c1ce05439b","","","0.71073","MoKα","","0.0208","0.0187","","","0.0468","0.0476","","","","","","1.094","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206911","6.1076","0.0011","6.8545","0.0012","11.658","0.002","80.201","0.002","82.342","0.003","79.028","0.002","469.57","0.14","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H7 Br O2 Ru -","- C8 H7 Br O2 Ru -","- C16 H14 Br2 O4 Ru2 -","2","1","","Fuller, Rebecca O.; Griffith, Christopher S.; Koutsantonis, George A.; Lapere, Kim M.; Skelton, Brian W.; Spackman, Mark A.; White, Allan H.; Wild, Duncan A.","Seemingly simple group 8 cyclopentadienyl dicarbonyl metal halides: From little things, interesting things grow","CrystEngComm","2012","14","3","812","","10.1039/c1ce05439b","","","0.71073","MoKα","","0.0237","0.0212","","","0.0548","0.0558","","","","","","1.044","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206912","6.9642","0.0013","7.4745","0.0014","10.068","0.002","92.968","0.003","95.936","0.003","108.783","0.003","491.49","0.16","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H7 I O2 Ru -","- C8 H7 I O2 Ru -","- C16 H14 I2 O4 Ru2 -","2","1","","Fuller, Rebecca O.; Griffith, Christopher S.; Koutsantonis, George A.; Lapere, Kim M.; Skelton, Brian W.; Spackman, Mark A.; White, Allan H.; Wild, Duncan A.","Seemingly simple group 8 cyclopentadienyl dicarbonyl metal halides: From little things, interesting things grow","CrystEngComm","2012","14","3","812","","10.1039/c1ce05439b","","","0.71073","MoKα","","0.0325","0.0303","","","0.0811","0.0827","","","","","","1.1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206913","11.2187","0.0018","4.7411","0.0007","21.685","0.003","90","","93.91","0.002","90","","1150.7","0.3","292","2","292","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","2-fluoro-N-(2-bromophenyl) benzamide","2-fluoro-N-(2-bromophenyl) benzamide","","- C13 H9 Br F N O -","- C13 H9 Br F N O -","- C52 H36 Br4 F4 N4 O4 -","4","1","","Nayak, Susanta K.; Reddy, M. Kishore; Chopra, Deepak; Guru Row, Tayur N.","Evaluation of the role of disordered organic fluorine in crystal packing: insights from halogen substituted benzanilides","CrystEngComm","2012","14","1","200","","10.1039/c1ce05441d","","","0.71073","MoKα","","0.0406","0.0314","","","0.0701","0.0725","","","","","","1.055","","","","has coordinates,has disorder","180400","2020-10-21","18:00:00",""
"7206914","26.081","0.003","5.2349","0.0007","17.549","0.002","90","","103.716","0.002","90","","2327.7","0.5","292","2","292","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","3-fluoro-N-(4-bromophenyl) benzamide","3-fluoro-N-(4-bromophenyl) benzamide","","- C13 H9 Br F N O -","- C13 H9 Br F N O -","- C104 H72 Br8 F8 N8 O8 -","8","1","","Nayak, Susanta K.; Reddy, M. Kishore; Chopra, Deepak; Guru Row, Tayur N.","Evaluation of the role of disordered organic fluorine in crystal packing: insights from halogen substituted benzanilides","CrystEngComm","2012","14","1","200","","10.1039/c1ce05441d","","","0.71073","MoKα","","0.048","0.0341","","","0.0769","0.0846","","","","","","1.027","","","","has coordinates,has disorder","180400","2020-10-21","18:00:00",""
"7206915","5.0904","0.0011","10.696","0.002","12.054","0.003","113.637","0.003","97.827","0.003","93.133","0.003","591.3","0.2","292","2","292","2","","","","","","","","6","P -1","-P 1","2","2-bromo-N-(3-fluoro)benzamide","2-bromo-N-(3-fluoro)benzamide","","- C13 H9 Br F N O -","- C13 H9 Br F N O -","- C26 H18 Br2 F2 N2 O2 -","2","1","","Nayak, Susanta K.; Reddy, M. Kishore; Chopra, Deepak; Guru Row, Tayur N.","Evaluation of the role of disordered organic fluorine in crystal packing: insights from halogen substituted benzanilides","CrystEngComm","2012","14","1","200","","10.1039/c1ce05441d","","","0.71073","MoKα","","0.0385","0.0295","","","0.0653","0.0687","","","","","","1.05","","","","has coordinates,has disorder","180400","2020-10-21","18:00:00",""
"7206916","4.3711","0.0004","5.1917","0.0005","50.481","0.005","90","","90","","90","","1145.59","0.19","292","2","292","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","3-bromo-N-(3-fluorophenyl)benzamide","3-bromo-N-(3-fluorophenyl)benzamide","","- C13 H9 Br F N O -","- C13 H9 Br F N O -","- C52 H36 Br4 F4 N4 O4 -","4","1","","Nayak, Susanta K.; Reddy, M. Kishore; Chopra, Deepak; Guru Row, Tayur N.","Evaluation of the role of disordered organic fluorine in crystal packing: insights from halogen substituted benzanilides","CrystEngComm","2012","14","1","200","","10.1039/c1ce05441d","","","0.71073","MoKα","","0.042","0.0343","","","0.0673","0.0691","","","","","","1.14","","","","has coordinates,has disorder","180400","2020-10-21","18:00:00",""
"7206917","11.0184","0.0016","4.7429","0.0007","21.677","0.003","90","","94.101","0.002","90","","1129.9","0.3","292","2","292","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","2-fluoro-N-(2-chlorophenyl)benzamide","2-fluoro-N-(2-chlorophenyl)benzamide","","- C13 H9 Cl F N O -","- C13 H9 Cl F N O -","- C52 H36 Cl4 F4 N4 O4 -","4","1","","Nayak, Susanta K.; Reddy, M. Kishore; Chopra, Deepak; Guru Row, Tayur N.","Evaluation of the role of disordered organic fluorine in crystal packing: insights from halogen substituted benzanilides","CrystEngComm","2012","14","1","200","","10.1039/c1ce05441d","","","0.71073","MoKα","","0.0531","0.041","","","0.0985","0.1036","","","","","","1.063","","","","has coordinates,has disorder","180400","2020-10-21","18:00:00",""
"7206918","25.6859","0.0006","5.2425","0.0001","17.3988","0.0004","90","","104.252","0.001","90","","2270.78","0.09","292","2","292","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","3-fluoro-N-(4-chlorophenyl)benzamide","3-fluoro-N-(4-chlorophenyl)benzamide","","- C13 H9 Cl F N O -","- C13 H9 Cl F N O -","- C104 H72 Cl8 F8 N8 O8 -","8","1","","Nayak, Susanta K.; Reddy, M. Kishore; Chopra, Deepak; Guru Row, Tayur N.","Evaluation of the role of disordered organic fluorine in crystal packing: insights from halogen substituted benzanilides","CrystEngComm","2012","14","1","200","","10.1039/c1ce05441d","","","0.71073","MoKα","","0.0593","0.0403","","","0.1248","0.1529","","","","","","1.124","","","","has coordinates,has disorder","180400","2020-10-21","18:00:00",""
"7206919","13.6468","0.0003","12.3384","0.0003","13.7313","0.0003","90","","90.686","0.002","90","","2311.91","0.09","292","2","292","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","2-chloro-N-(3-flourophenyl)benzamide","2-chloro-N-(3-flourophenyl)benzamide","","- C13 H9 Cl F N O -","- C13 H9 Cl F N O -","- C104 H72 Cl8 F8 N8 O8 -","8","2","","Nayak, Susanta K.; Reddy, M. Kishore; Chopra, Deepak; Guru Row, Tayur N.","Evaluation of the role of disordered organic fluorine in crystal packing: insights from halogen substituted benzanilides","CrystEngComm","2012","14","1","200","","10.1039/c1ce05441d","","","0.71073","MoKα","","0.0696","0.0449","","","0.1227","0.1286","","","","","","1.083","","","","has coordinates,has disorder","180400","2020-10-21","18:00:00",""
"7206920","5.1012","0.0003","11.0188","0.0007","12.441","0.0008","64.411","0.003","79.243","0.003","87.18","0.003","619.23","0.07","296","2","296","2","","","","","","","","6","P -1","-P 1","2","2-iodo-N-(3-fluorophenyl)benzamide","2-iodo-N-(3-fluorophenyl)benzamide","","- C13 H9 F I N O -","- C13 H9 F I N O -","- C26 H18 F2 I2 N2 O2 -","2","1","","Nayak, Susanta K.; Reddy, M. Kishore; Chopra, Deepak; Guru Row, Tayur N.","Evaluation of the role of disordered organic fluorine in crystal packing: insights from halogen substituted benzanilides","CrystEngComm","2012","14","1","200","","10.1039/c1ce05441d","","","0.71073","MoKα","","0.0295","0.0253","","","0.0544","0.0561","","","","","","1.041","","","","has coordinates,has disorder","180400","2020-10-21","18:00:00",""
"7206921","11.5468","0.0011","4.7669","0.0005","21.94","0.002","90","","92.302","0.005","90","","1206.7","0.2","292","2","292","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","2-fluoro-N-(2-iodophenyl)benzamide","2-fluoro-N-(2-iodophenyl)benzamide","","- C13 H9 F I N O -","- C13 H9 F I N O -","- C52 H36 F4 I4 N4 O4 -","4","1","","Nayak, Susanta K.; Reddy, M. Kishore; Chopra, Deepak; Guru Row, Tayur N.","Evaluation of the role of disordered organic fluorine in crystal packing: insights from halogen substituted benzanilides","CrystEngComm","2012","14","1","200","","10.1039/c1ce05441d","","","0.71073","MoKα","","0.0304","0.0235","","","0.0471","0.0491","","","","","","1.043","","","","has coordinates,has disorder","180400","2020-10-21","18:00:00",""
"7206922","9.0447","0.0002","14.1185","0.0003","9.9862","0.0003","90","","90","","90","","1275.21","0.05","292","2","292","2","","","","","","","","6","P n a 21","P 2c -2n","33","2-iodo-N-(2-fluorophenyl)benzamide","2-iodo-N-(2-fluorophenyl)benzamide","","- C13 H9 F I N O -","- C13 H9 F I N O -","- C52 H36 F4 I4 N4 O4 -","4","1","","Nayak, Susanta K.; Reddy, M. Kishore; Chopra, Deepak; Guru Row, Tayur N.","Evaluation of the role of disordered organic fluorine in crystal packing: insights from halogen substituted benzanilides","CrystEngComm","2012","14","1","200","","10.1039/c1ce05441d","","","0.71073","MoKα","","0.0441","0.0339","","","0.0688","0.0711","","","","","","1.006","","","","has coordinates,has disorder","180400","2020-10-21","18:00:00",""
"7206923","25.444","0.002","8.0222","0.0007","13.4912","0.0012","90","","106.518","0.001","90","","2640.1","0.4","293","2","293","2","","","","","","","synthesis as described","5","C 1 2 1","C 2y","5","","","","- C52 H50 Cl8 N2 O8 -","- C52 H50 Cl8 N2 O8 -","- C104 H100 Cl16 N4 O16 -","2","0.5","","Mahieux, Julien; Gonella, Silvia; Sanselme, Morgane; Coquerel, Gérard","Crystal structure of a hybrid salt‒cocrystal and its resolution by preferential crystallization: ((±)trans-N,N′-dibenzyldiaminocyclohexane)(2,3-dichlorophenylacetic acid)4","CrystEngComm","2012","14","1","103","","10.1039/c1ce05484h","","x-ray","0.71073","MoKα","","0.0739","0.0657","","","0.1713","0.1802","","","","","","1.029","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206924","4.8955","0.0005","12.3245","0.0012","14.503","0.0014","90","","94.27","0.002","90","","872.6","0.15","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 Cl2 O2 -","- C8 H6 Cl2 O2 -","- C32 H24 Cl8 O8 -","4","1","","Mahieux, Julien; Gonella, Silvia; Sanselme, Morgane; Coquerel, Gérard","Crystal structure of a hybrid salt‒cocrystal and its resolution by preferential crystallization: ((±)trans-N,N′-dibenzyldiaminocyclohexane)(2,3-dichlorophenylacetic acid)4","CrystEngComm","2012","14","1","103","","10.1039/c1ce05484h","","x-ray","0.71073","MoKα","","0.0542","0.0477","","","0.1307","0.1362","","","","","","1.058","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206925","19.03","0.008","5.555","0.0015","25.191","0.009","90","","110.33","0.03","90","","2497.1","1.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Cl N4 O2 -","- C30 H24 Cl N4 O2 -","- C120 H96 Cl4 N16 O8 -","4","1","","Bruni, Giovanna; Maietta, Mariarosa; Berbenni, Vittorio; Bini, Marcella; Ferrari, Stefania; Capsoni, Doretta; Boiocchi, Massimo; Milanese, Chiara; Marini, Amedeo","Preparation and characterization of carprofen co-crystals","CrystEngComm","2012","14","2","435","","10.1039/c1ce05571b","","","0.71073","MoKα","","0.2039","0.1322","","","0.295","0.3415","","","","","","1.064","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206926","9.2681","0.0009","12.4755","0.0016","16.074","0.003","73.308","0.012","82.774","0.014","75.228","0.009","1718.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H32 Cl2 N4 O4 -","- C40 H32 Cl2 N4 O4 -","- C80 H64 Cl4 N8 O8 -","2","1","","Bruni, Giovanna; Maietta, Mariarosa; Berbenni, Vittorio; Bini, Marcella; Ferrari, Stefania; Capsoni, Doretta; Boiocchi, Massimo; Milanese, Chiara; Marini, Amedeo","Preparation and characterization of carprofen co-crystals","CrystEngComm","2012","14","2","435","","10.1039/c1ce05571b","","","0.71073","MoKα","","0.0814","0.049","","","0.1096","0.1244","","","","","","1.03","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206927","19.0685","0.0015","5.5501","0.0005","25.148","0.002","90","","110.116","0.002","90","","2499.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Cl N4 O2 -","- C30 H24 Cl N4 O2 -","- C120 H96 Cl4 N16 O8 -","4","1","","Bruni, Giovanna; Maietta, Mariarosa; Berbenni, Vittorio; Bini, Marcella; Ferrari, Stefania; Capsoni, Doretta; Boiocchi, Massimo; Milanese, Chiara; Marini, Amedeo","Preparation and characterization of carprofen co-crystals","CrystEngComm","2012","14","2","435","","10.1039/c1ce05571b","","","0.71073","MoKα","","0.1034","0.0591","","","0.1552","0.1895","","","","","","1.04","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206928","7.855","0.0013","17.546","0.003","18.586","0.003","90","","111.626","0.006","90","","2381.3","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H23 I N6 O8 Zn -","- C16 H23 I N6 O8 Zn -","- C64 H92 I4 N24 O32 Zn4 -","4","1","","Zhang, Kou-Lin; Hou, Chuan-Tao; Song, Jing-Jing; Deng, Ye; Li, Liang; Ng, Seik Weng; Diao, Guo-Wang","Temperature and auxiliary ligand-controlled supramolecular assembly in a series of Zn(ii)-organic frameworks: syntheses, structures and properties","CrystEngComm","2012","14","2","590","","10.1039/c1ce05577a","","","0.71073","MoKα","","0.0697","0.0445","","","0.1264","0.1465","","","","","","1.078","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206929","8.5844","0.0009","22.107","0.002","10.2952","0.0011","90","","102.313","0.001","90","","1908.8","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 I N6 O4 Zn -","- C16 H15 I N6 O4 Zn -","- C64 H60 I4 N24 O16 Zn4 -","4","1","","Zhang, Kou-Lin; Hou, Chuan-Tao; Song, Jing-Jing; Deng, Ye; Li, Liang; Ng, Seik Weng; Diao, Guo-Wang","Temperature and auxiliary ligand-controlled supramolecular assembly in a series of Zn(ii)-organic frameworks: syntheses, structures and properties","CrystEngComm","2012","14","2","590","","10.1039/c1ce05577a","","","0.71073","MoKα","","0.041","0.0313","","","0.0791","0.085","","","","","","1.069","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206930","10.1291","0.001","16.9901","0.0017","12.3894","0.0012","90","","107.66","0.001","90","","2031.7","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 I N6 O6 Zn -","- C15 H17 I N6 O6 Zn -","- C60 H68 I4 N24 O24 Zn4 -","4","1","","Zhang, Kou-Lin; Hou, Chuan-Tao; Song, Jing-Jing; Deng, Ye; Li, Liang; Ng, Seik Weng; Diao, Guo-Wang","Temperature and auxiliary ligand-controlled supramolecular assembly in a series of Zn(ii)-organic frameworks: syntheses, structures and properties","CrystEngComm","2012","14","2","590","","10.1039/c1ce05577a","","","0.71073","MoKα","","0.0762","0.0446","","","0.1","0.1161","","","","","","1.018","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206931","9.4462","0.0004","10.6899","0.0004","10.917","0.0004","103.25","0.002","98.612","0.002","102.932","0.002","1022.07","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H46 N8 O36 V10 -","- C14 H46 N8 O36 V10 -","- C14 H46 N8 O36 V10 -","1","0.5","","Lv, Yao-Kang; Jiang, Zhan-Guo; Gan, Li-Hua; Liu, Ming-Xian; Feng, Yun-Long","Three novel organic-inorganic hybrid materials based on decaoxovanadates obtained from a new liquid phase reaction","CrystEngComm","2012","14","1","314","","10.1039/c1ce05605k","","","0.71073","MoKα","","0.0387","0.0295","","","0.0792","0.0859","","","","","","1.011","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206932","22.0808","0.0015","9.7061","0.0005","24.3647","0.0015","90","","109.045","0.008","90","","4936","0.6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H62 Co2 N8 O46 V10 -","- C12 H62 Co2 N8 O46 V10 -","- C48 H248 Co8 N32 O184 V40 -","4","0.5","","Lv, Yao-Kang; Jiang, Zhan-Guo; Gan, Li-Hua; Liu, Ming-Xian; Feng, Yun-Long","Three novel organic-inorganic hybrid materials based on decaoxovanadates obtained from a new liquid phase reaction","CrystEngComm","2012","14","1","314","","10.1039/c1ce05605k","","","0.71073","MoKα","","0.075","0.049","","","0.1322","0.15","","","","","","1.012","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206933","12.0418","0.0003","15.7976","0.0003","11.0989","0.0003","90","","107.98","0.001","90","","2008.25","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H42 N8 O34 V10 -","- C14 H42 N8 O34 V10 -","- C28 H84 N16 O68 V20 -","2","0.5","","Lv, Yao-Kang; Jiang, Zhan-Guo; Gan, Li-Hua; Liu, Ming-Xian; Feng, Yun-Long","Three novel organic-inorganic hybrid materials based on decaoxovanadates obtained from a new liquid phase reaction","CrystEngComm","2012","14","1","314","","10.1039/c1ce05605k","","","0.71073","MoKα","","0.0469","0.0352","","","0.0932","0.1004","","","","","","1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206934","5.2586","0.0002","8.916","0.0003","13.8165","0.0005","90","","90.5","0.002","90","","647.77","0.04","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H5 Cl N2 -","- C7 H5 Cl N2 -","- C28 H20 Cl4 N8 -","4","1","","Hazra, Dipak K.; Mukherjee, Alok K.; Helliwell, Madeleine; Mukherjee, Monika","Topological features and electronic structure of 4-chloro-1H-pyrrolo[2,3-b]pyridine: experimental charge density analysis and DFT studies","CrystEngComm","2012","14","3","993","","10.1039/c1ce05615h","","","0.71073","MoKα","","0.0617","0.0543","","","0.1268","0.1297","","","","","","1.273","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206935","7.5975","0.0005","12.2026","0.0007","12.8137","0.0008","61.607","0.006","77.247","0.005","78.353","0.005","1012.74","0.12","183","2","183","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H11 N O2 -","- C12 H11 N O2 -","- C48 H44 N4 O8 -","4","2","","Spingler, Bernhard; Schnidrig, Stephan; Todorova, Tonya; Wild, Ferdinand","Some thoughts about the single crystal growth of small molecules","CrystEngComm","2012","14","3","751","","10.1039/c1ce05624g","","","0.7107","MoKα","","0.1382","0.0479","","","0.0782","0.0902","","","","","","0.81","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206936","9.3329","0.0002","12.7049","0.0003","9.1195","0.0002","90","","98.085","0.002","90","","1070.58","0.04","183","2","183","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N4 O4 -","- C24 H22 N4 O4 -","- C48 H44 N8 O8 -","2","0.5","","Spingler, Bernhard; Schnidrig, Stephan; Todorova, Tonya; Wild, Ferdinand","Some thoughts about the single crystal growth of small molecules","CrystEngComm","2012","14","3","751","","10.1039/c1ce05624g","","","0.7107","MoKα","","0.0558","0.0464","","","0.1216","0.1294","","","","","","1.032","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206937","27.84","0.006","21.605","0.004","20.145","0.004","90","","90","","90","","12117","4","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C100 H80 Cu6 N20 O39 P W11 -","- C100 H80 Cu6 N20 O39 P W11 -","- C400 H320 Cu24 N80 O156 P4 W44 -","4","1","","Wang, Yan; Peng, Yu; Xiao, Li-Na; Hu, Yang-Yang; Wang, La-Mei; Gao, Zhong-Min; Wang, Tie-Gang; Wu, Feng-Qing; Cui, Xiao-Bing; Xu, Ji-Qing","New compounds constructed from polyoxometalates and transition metal coordination complexes with lower positive charge","CrystEngComm","2012","14","3","1049","","10.1039/c1ce05633f","","","0.71073","MoKα","","0.1737","0.0694","","","0.1665","0.2347","","","","","","1.057","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206938","28.117","0.002","21.4312","0.0016","19.6445","0.0014","90","","90","","90","","11837.4","1.5","296","2","296","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C100 H80 B Cu5 N20 O40 W12 -","- C100 H80 B Cu5 N20 O40 W12 -","- C400 H320 B4 Cu20 N80 O160 W48 -","4","1","","Wang, Yan; Peng, Yu; Xiao, Li-Na; Hu, Yang-Yang; Wang, La-Mei; Gao, Zhong-Min; Wang, Tie-Gang; Wu, Feng-Qing; Cui, Xiao-Bing; Xu, Ji-Qing","New compounds constructed from polyoxometalates and transition metal coordination complexes with lower positive charge","CrystEngComm","2012","14","3","1049","","10.1039/c1ce05633f","","","0.71073","MoKα","","0.0857","0.0453","","","0.1025","0.134","","","","","","0.999","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206939","12.506","0.003","14.025","0.003","31.972","0.006","78.45","0.03","82.58","0.03","87.87","0.03","5448","2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C96 H72 B Cu5 N16 O44 W12 -","- C96 H64 B Cu5 N16 O44 W12 -","- C192 H128 B2 Cu10 N32 O88 W24 -","2","1","","Wang, Yan; Peng, Yu; Xiao, Li-Na; Hu, Yang-Yang; Wang, La-Mei; Gao, Zhong-Min; Wang, Tie-Gang; Wu, Feng-Qing; Cui, Xiao-Bing; Xu, Ji-Qing","New compounds constructed from polyoxometalates and transition metal coordination complexes with lower positive charge","CrystEngComm","2012","14","3","1049","","10.1039/c1ce05633f","","","0.71073","MoKα","","0.095","0.0645","","","0.1694","0.1989","","","","","","1.041","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206940","13.4495","0.0019","13.716","0.002","28.536","0.004","82.489","0.012","79.829","0.009","79.841","0.012","5073.2","1.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C80 H64 Cu4 N16 O40 Si W12 -","- C80 H64 Cu4 N16 O40 Si W12 -","- C160 H128 Cu8 N32 O80 Si2 W24 -","2","1","","Wang, Yan; Peng, Yu; Xiao, Li-Na; Hu, Yang-Yang; Wang, La-Mei; Gao, Zhong-Min; Wang, Tie-Gang; Wu, Feng-Qing; Cui, Xiao-Bing; Xu, Ji-Qing","New compounds constructed from polyoxometalates and transition metal coordination complexes with lower positive charge","CrystEngComm","2012","14","3","1049","","10.1039/c1ce05633f","","","0.71073","MoKα","","0.108","0.0501","","","0.1149","0.145","","","","","","1.023","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206941","13.297","0.003","13.673","0.003","28.4","0.006","82.43","0.03","80.66","0.03","79.91","0.03","4988","2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C80 H64 Cu4 N16 O40 P W12 -","- C80 H64 Cu4 N16 O40 P W12 -","- C160 H128 Cu8 N32 O80 P2 W24 -","2","1","","Wang, Yan; Peng, Yu; Xiao, Li-Na; Hu, Yang-Yang; Wang, La-Mei; Gao, Zhong-Min; Wang, Tie-Gang; Wu, Feng-Qing; Cui, Xiao-Bing; Xu, Ji-Qing","New compounds constructed from polyoxometalates and transition metal coordination complexes with lower positive charge","CrystEngComm","2012","14","3","1049","","10.1039/c1ce05633f","","","0.71073","MoKα","","0.1066","0.0633","","","0.1445","0.1711","","","","","","1.057","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206942","13.0132","0.0008","4.8558","0.0003","16.371","0.001","90","","109.235","0.003","90","","976.73","0.11","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H14 O3 -","- C10 H14 O3 -","- C40 H56 O12 -","4","2","","Bredikhin, Alexander A.; Zakharychev, Dmitry V.; Bredikhina, Zemfira A.; Gubaidullin, Aidar T.; Fayzullin, Robert R.","Crystal structure and phase behavior of the tolyl glycerol ethers. From the conglomerate former to the chirality-driven nanogelator","CrystEngComm","2012","14","1","211","","10.1039/c1ce05637a","","","1.54178","CuKα","","0.0288","0.0263","","","0.0683","0.0795","","","","","","1.108","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206943","17.264","0.002","4.7225","0.0007","11.9008","0.0017","90","","90.091","0.002","90","","970.3","0.2","296","2","296","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C10 H14 O3 -","- C10 H14 O3 -","- C40 H56 O12 -","4","2","","Bredikhin, Alexander A.; Zakharychev, Dmitry V.; Bredikhina, Zemfira A.; Gubaidullin, Aidar T.; Fayzullin, Robert R.","Crystal structure and phase behavior of the tolyl glycerol ethers. From the conglomerate former to the chirality-driven nanogelator","CrystEngComm","2012","14","1","211","","10.1039/c1ce05637a","","","0.71073","MoKα","","0.1001","0.0768","","","0.2048","0.2257","","","","","","1.017","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206944","4.8768","0.0002","7.2147","0.0003","28.5203","0.0011","90","","90","","90","","1003.48","0.07","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 O3 -","- C10 H14 O3 -","- C40 H56 O12 -","4","1","","Bredikhin, Alexander A.; Zakharychev, Dmitry V.; Bredikhina, Zemfira A.; Gubaidullin, Aidar T.; Fayzullin, Robert R.","Crystal structure and phase behavior of the tolyl glycerol ethers. From the conglomerate former to the chirality-driven nanogelator","CrystEngComm","2012","14","1","211","","10.1039/c1ce05637a","","","1.54178","CuKα","","0.0294","0.0288","","","0.0764","0.0771","","","","","","1.047","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206945","12.513","0.001","4.9317","0.0005","16.282","0.001","90","","97.159","0.006","90","","996.94","0.14","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H14 O3 -","- C10 H14 O3 -","- C40 H56 O12 -","4","2","","Bredikhin, Alexander A.; Zakharychev, Dmitry V.; Bredikhina, Zemfira A.; Gubaidullin, Aidar T.; Fayzullin, Robert R.","Crystal structure and phase behavior of the tolyl glycerol ethers. From the conglomerate former to the chirality-driven nanogelator","CrystEngComm","2012","14","1","211","","10.1039/c1ce05637a","","","0.71073","MoKα","","0.1314","0.047","","","0.0842","0.1076","","","","","","0.918","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206946","12.3381","0.001","4.7318","0.0003","32.877","0.003","90","","90","","90","","1919.4","0.3","296","2","296","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C10 H14 O3 -","- C10 H14 O3 -","- C80 H112 O24 -","8","2","","Bredikhin, Alexander A.; Zakharychev, Dmitry V.; Bredikhina, Zemfira A.; Gubaidullin, Aidar T.; Fayzullin, Robert R.","Crystal structure and phase behavior of the tolyl glycerol ethers. From the conglomerate former to the chirality-driven nanogelator","CrystEngComm","2012","14","1","211","","10.1039/c1ce05637a","","","0.71073","MoKα","","0.0753","0.0568","","","0.1447","0.1581","","","","","","1.038","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206947","11.953","0.0007","7.2717","0.0003","17.7746","0.0008","90","","104.482","0.005","90","","1495.86","0.13","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 O8 Zn -","- C16 H12 O8 Zn -","- C64 H48 O32 Zn4 -","4","1","","Liu, Ying-Ying; Li, Jing; Ma, Jian-Fang; Ma, Ji-Cheng; Yang, Jin","A series of 1D, 2D and 3D coordination polymers based on a 5-(benzonic-4-ylmethoxy)isophthalic acid: syntheses, structures and photoluminescence","CrystEngComm","2012","14","1","169","","10.1039/c1ce05639e","","","0.71073","MoKα","","0.0542","0.0335","","","0.0698","0.0728","","","","","","0.902","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206948","9.955","0.005","10.55","0.004","14.073","0.003","88.346","0.002","69.302","0.003","64.514","0.005","1234.7","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H21 N2 O8.5 Zn -","- C28 H21 N2 O8.5 Zn -","- C56 H42 N4 O17 Zn2 -","2","1","","Liu, Ying-Ying; Li, Jing; Ma, Jian-Fang; Ma, Ji-Cheng; Yang, Jin","A series of 1D, 2D and 3D coordination polymers based on a 5-(benzonic-4-ylmethoxy)isophthalic acid: syntheses, structures and photoluminescence","CrystEngComm","2012","14","1","169","","10.1039/c1ce05639e","","","0.71069","MoKα","","0.0366","0.0279","","","0.0745","0.0764","","","","","","1.042","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206949","8.659","0.0003","9.9594","0.0004","12.8686","0.0006","94.713","0.004","101.475","0.003","92.54","0.003","1081.82","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 N6 O7 Zn -","- C22 H18 N6 O7 Zn -","- C44 H36 N12 O14 Zn2 -","2","1","","Liu, Ying-Ying; Li, Jing; Ma, Jian-Fang; Ma, Ji-Cheng; Yang, Jin","A series of 1D, 2D and 3D coordination polymers based on a 5-(benzonic-4-ylmethoxy)isophthalic acid: syntheses, structures and photoluminescence","CrystEngComm","2012","14","1","169","","10.1039/c1ce05639e","","","0.71073","MoKα","","0.0654","0.043","","","0.1022","0.1064","","","","","","0.925","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206950","11.8109","0.0006","13.7859","0.0005","16.9387","0.0006","67.887","0.004","87.405","0.004","71.034","0.004","2407.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H44 N12 O16 Zn2 -","- C46 H44 N12 O16 Zn2 -","- C92 H88 N24 O32 Zn4 -","2","1","","Liu, Ying-Ying; Li, Jing; Ma, Jian-Fang; Ma, Ji-Cheng; Yang, Jin","A series of 1D, 2D and 3D coordination polymers based on a 5-(benzonic-4-ylmethoxy)isophthalic acid: syntheses, structures and photoluminescence","CrystEngComm","2012","14","1","169","","10.1039/c1ce05639e","","","0.71073","MoKα","","0.079","0.0398","","","0.0842","0.0892","","","","","","0.834","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206951","15.124","0.0007","13.8252","0.0005","9.5104","0.0004","90","","102.674","0.004","90","","1940.1","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C84 H72 N12 O28 Zn4 -","- C84 H72 N12 O28 Zn4 -","- C84 H72 N12 O28 Zn4 -","1","0.25","","Liu, Ying-Ying; Li, Jing; Ma, Jian-Fang; Ma, Ji-Cheng; Yang, Jin","A series of 1D, 2D and 3D coordination polymers based on a 5-(benzonic-4-ylmethoxy)isophthalic acid: syntheses, structures and photoluminescence","CrystEngComm","2012","14","1","169","","10.1039/c1ce05639e","","","0.71073","MoKα","","0.0481","0.0285","","","0.0563","0.0584","","","","","","0.854","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206952","14.978","0.0005","32.6149","0.0011","6.3668","0.0002","90","","90","","90","","3110.22","0.18","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C34 H26 N6 O7 Zn -","- C34 H26 N6 O7 Zn -","- C136 H104 N24 O28 Zn4 -","4","1","","Liu, Ying-Ying; Li, Jing; Ma, Jian-Fang; Ma, Ji-Cheng; Yang, Jin","A series of 1D, 2D and 3D coordination polymers based on a 5-(benzonic-4-ylmethoxy)isophthalic acid: syntheses, structures and photoluminescence","CrystEngComm","2012","14","1","169","","10.1039/c1ce05639e","","","0.71073","MoKα","","0.083","0.0336","","","0.0315","0.0343","","","","","","0.748","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206953","6.8167","0.0004","10.8308","0.0005","12.0167","0.0007","86.596","0.004","83.997","0.005","73.499","0.004","845.58","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H26 Cu4 O19 -","- C32 H26 Cu4 O19 -","- C32 H26 Cu4 O19 -","1","0.5","","Liu, Ying-Ying; Li, Jing; Ma, Jian-Fang; Ma, Ji-Cheng; Yang, Jin","A series of 1D, 2D and 3D coordination polymers based on a 5-(benzonic-4-ylmethoxy)isophthalic acid: syntheses, structures and photoluminescence","CrystEngComm","2012","14","1","169","","10.1039/c1ce05639e","","","0.71073","MoKα","","0.0401","0.0281","","","0.0637","0.0654","","","","","","0.924","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206954","16.3292","0.0004","16.3292","0.0004","19.9708","0.0006","90","","90","","90","","5325.1","0.2","293","2","293","2","","","","","","","","5","P 42/n b c :2","-P 4ac 2b","133","","","","- C64 H40 Cd3 N16 O8 -","- C64 H40 Cd3 N16 O8 -","- C256 H160 Cd12 N64 O32 -","4","0.25","","Yong, Guo-Ping; Li, Ying-Zhou; Zhang, Yi-Man; She, Wen-Long","Magnetic and luminescent properties of Cd(ii)- and Fe(ii)-anion radical frameworks: various networks or structures influenced by metal ion sizes or in situ forming mechanisms of anion radical ligand","CrystEngComm","2012","14","4","1439","","10.1039/c1ce05641g","","","0.71073","MoKα","","0.1186","0.0346","","","0.0276","0.0308","","","","","","0.887","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206955","16.172","0.005","16.172","0.005","19.553","0.005","90","0.005","90","0.005","90","0.005","5114","3","150","2","150","2","","","","","","","","5","P 42/n b c :2","-P 4ac 2b","133","","","","- C64 H40 Fe3 N16 O8 -","- C64 H40 Fe3 N16 O8 -","- C256 H160 Fe12 N64 O32 -","4","0.25","","Yong, Guo-Ping; Li, Ying-Zhou; Zhang, Yi-Man; She, Wen-Long","Magnetic and luminescent properties of Cd(ii)- and Fe(ii)-anion radical frameworks: various networks or structures influenced by metal ion sizes or in situ forming mechanisms of anion radical ligand","CrystEngComm","2012","14","4","1439","","10.1039/c1ce05641g","","","0.71073","MoKα","","0.1152","0.0539","","","0.1418","0.1598","","","","","","0.807","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206956","18.046","0.004","14.024","0.003","13.553","0.003","90","","90.2","0.03","90","","3429.9","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 Fe3 N8 O9 -","- C36 H24 Fe3 N8 O9 -","- C144 H96 Fe12 N32 O36 -","4","1","","Yong, Guo-Ping; Li, Ying-Zhou; Zhang, Yi-Man; She, Wen-Long","Magnetic and luminescent properties of Cd(ii)- and Fe(ii)-anion radical frameworks: various networks or structures influenced by metal ion sizes or in situ forming mechanisms of anion radical ligand","CrystEngComm","2012","14","4","1439","","10.1039/c1ce05641g","","","0.71073","MoKα","","0.1396","0.1036","","","0.2898","0.3076","","","","","","1.075","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206957","6.8088","0.0003","7.4891","0.0004","14.8396","0.0008","90","","100.854","0.005","90","","743.16","0.07","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 O2 -","- C9 H8 O2 -","- C36 H32 O8 -","4","1","","Wallentin, Carl-Johan; Orentas, Edvinas; Johnson, Magnus T.; Báthori, Nikoletta B.; Butkus, Eugenijus; Wendt, Ola F.; Wärnmark, Kenneth; Öhrström, Lars","Synthetic and crystallographic studies of bicyclo[3.3.1]nonane derivatives: from strong to weak hydrogen bonds and the stereochemistry of network formation","CrystEngComm","2012","14","1","178","","10.1039/c1ce05673e","","","0.71073","MoKα","","0.086","0.0412","","","0.1199","0.1337","","","","","","1.029","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206958","9.2834","0.0007","8.5265","0.0005","9.8621","0.0007","90","","93.062","0.006","90","","779.52","0.09","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C9 H12 O2 -","- C9 H12 O2 -","- C36 H48 O8 -","4","1","","Wallentin, Carl-Johan; Orentas, Edvinas; Johnson, Magnus T.; Báthori, Nikoletta B.; Butkus, Eugenijus; Wendt, Ola F.; Wärnmark, Kenneth; Öhrström, Lars","Synthetic and crystallographic studies of bicyclo[3.3.1]nonane derivatives: from strong to weak hydrogen bonds and the stereochemistry of network formation","CrystEngComm","2012","14","1","178","","10.1039/c1ce05673e","","","0.71073","MoKα","","0.1235","0.0394","","","0.0528","0.0633","","","","","","0.89","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206959","10.3618","0.0007","6.6849","0.0005","14.6052","0.0011","90","","107.353","0.007","90","","965.62","0.13","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 Br2 O2 -","- C9 H6 Br2 O2 -","- C36 H24 Br8 O8 -","4","1","","Wallentin, Carl-Johan; Orentas, Edvinas; Johnson, Magnus T.; Báthori, Nikoletta B.; Butkus, Eugenijus; Wendt, Ola F.; Wärnmark, Kenneth; Öhrström, Lars","Synthetic and crystallographic studies of bicyclo[3.3.1]nonane derivatives: from strong to weak hydrogen bonds and the stereochemistry of network formation","CrystEngComm","2012","14","1","178","","10.1039/c1ce05673e","","","0.71073","MoKα","","0.1657","0.071","","","0.2302","0.2735","","","","","","0.873","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206960","7.3655","0.0005","11.7786","0.0009","5.5546","0.0004","90","","90","","90","","481.89","0.06","293","2","293","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C11 H10 N2 -","- C11 H10 N2 -","- C22 H20 N4 -","2","0.5","","Wallentin, Carl-Johan; Orentas, Edvinas; Johnson, Magnus T.; Báthori, Nikoletta B.; Butkus, Eugenijus; Wendt, Ola F.; Wärnmark, Kenneth; Öhrström, Lars","Synthetic and crystallographic studies of bicyclo[3.3.1]nonane derivatives: from strong to weak hydrogen bonds and the stereochemistry of network formation","CrystEngComm","2012","14","1","178","","10.1039/c1ce05673e","","","0.71073","MoKα","","0.0544","0.031","","","0.0667","0.0727","","","","","","0.918","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206961","9.7848","0.0001","14.8435","0.0001","8.4224","0.0001","90","","96.749","0.001","90","","1214.8","0.02","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 Eu N O8 -","- C9 H8 Eu N O8 -","- C36 H32 Eu4 N4 O32 -","4","1","","Sun, Hao-Ling; Wang, Xiang-Li; Jia, Li; Cao, Wei; Wang, Ke-Zhi; Du, Miao","Lanthanide-pyridyl-2,5-dicarboxylate N-oxide frameworks with rutile topology","CrystEngComm","2012","14","2","512","","10.1039/c1ce05698k","","","0.71073","MoKα","","0.0241","0.0205","","","0.0467","0.0482","","","","","","1.06","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206962","9.7677","0.0002","14.8211","0.0003","8.4033","0.0002","90","","96.421","0.001","90","","1208.9","0.05","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 Gd N O8 -","- C9 H8 Gd N O8 -","- C36 H32 Gd4 N4 O32 -","4","1","","Sun, Hao-Ling; Wang, Xiang-Li; Jia, Li; Cao, Wei; Wang, Ke-Zhi; Du, Miao","Lanthanide-pyridyl-2,5-dicarboxylate N-oxide frameworks with rutile topology","CrystEngComm","2012","14","2","512","","10.1039/c1ce05698k","","","0.71073","MoKα","","0.0254","0.0209","","","0.0463","0.0482","","","","","","1.04","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206963","9.9138","0.0001","14.9969","0.0002","8.5545","0.0001","90","","98.582","0.001","90","","1257.61","0.03","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 La N O8 -","- C9 H8 La N O8 -","- C36 H32 La4 N4 O32 -","4","1","","Sun, Hao-Ling; Wang, Xiang-Li; Jia, Li; Cao, Wei; Wang, Ke-Zhi; Du, Miao","Lanthanide-pyridyl-2,5-dicarboxylate N-oxide frameworks with rutile topology","CrystEngComm","2012","14","2","512","","10.1039/c1ce05698k","","","0.71073","MoKα","","0.0294","0.0247","","","0.0563","0.0586","","","","","","1.052","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206964","9.7567","0.0001","14.7443","0.0002","8.3919","0.0001","90","","96.679","0.001","90","","1199.03","0.03","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 N O8 Tb -","- C9 H8 N O8 Tb -","- C36 H32 N4 O32 Tb4 -","4","1","","Sun, Hao-Ling; Wang, Xiang-Li; Jia, Li; Cao, Wei; Wang, Ke-Zhi; Du, Miao","Lanthanide-pyridyl-2,5-dicarboxylate N-oxide frameworks with rutile topology","CrystEngComm","2012","14","2","512","","10.1039/c1ce05698k","","","0.71073","MoKα","","0.0273","0.0224","","","0.0503","0.0525","","","","","","1.021","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206965","11.3769","0.0005","8.3198","0.0004","21.4511","0.001","90","","98.021","0.003","90","","2010.56","0.16","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23.5 O10.5 -","- C19 H23.5 O10.5 -","- C76 H94 O42 -","4","1","","Gao, Jiabin; Bhadbhade, Mohan M.; Bishop, Roger","Different crystal forms of a rich hydrogen bond acceptor compound resulting from alternative C‒H⋯O and orthogonal CO⋯CO molecular interaction patterns","CrystEngComm","2012","14","1","138","","10.1039/c1ce05728f","","","0.71073","MoKα","","0.083","0.0588","","","0.1606","0.1808","","","","","","1.031","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7206966","11.0883","0.0005","8.5689","0.0003","21.5332","0.0009","90","","93.104","0.001","90","","2042.97","0.14","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 O10 -","- C20 H23 O10 -","- C80 H92 O40 -","4","1","","Gao, Jiabin; Bhadbhade, Mohan M.; Bishop, Roger","Different crystal forms of a rich hydrogen bond acceptor compound resulting from alternative C‒H⋯O and orthogonal CO⋯CO molecular interaction patterns","CrystEngComm","2012","14","1","138","","10.1039/c1ce05728f","","","0.71073","MoKα","","0.0393","0.0355","","","0.0953","0.1003","","","","","","1.046","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206967","7.255","0.0002","9.2807","0.0003","13.0344","0.0004","77.359","0.001","78.816","0.001","88.811","0.001","839.87","0.04","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H18 O10 -","- C16 H18 O10 -","- C32 H36 O20 -","2","1","","Gao, Jiabin; Bhadbhade, Mohan M.; Bishop, Roger","Different crystal forms of a rich hydrogen bond acceptor compound resulting from alternative C‒H⋯O and orthogonal CO⋯CO molecular interaction patterns","CrystEngComm","2012","14","1","138","","10.1039/c1ce05728f","","","0.71073","MoKα","","0.0355","0.0329","","","0.0859","0.0888","","","","","","1.046","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206968","10.8013","0.0003","17.556","0.0005","20.4806","0.0005","69.649","0.002","76.099","0.002","73.507","0.002","3447.92","0.17","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C60.5 H96 Ag F6 O20 P -","- C60.5 H94 Ag F6 O20 P -","- C121 H188 Ag2 F12 O40 P2 -","2","1","","Salorinne, Kirsi; Lopez-Acevedo, Olga; Nauha, Elisa; Häkkinen, Hannu; Nissinen, Maija","Solvent driven formation of silver embedded resorcinarene nanorods","CrystEngComm","2012","14","2","347","","10.1039/c1ce05737e","","","1.54184","CuKα","","0.0949","0.0623","","","0.1548","0.1762","","","","","","1.065","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7206969","21.3724","0.0005","24.3735","0.0004","24.5548","0.0005","112.362","0.0008","106.978","0.0009","105.948","0.0009","10180.3","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H88 Ag2 F12 O16 P2 -","- C60 H88 Ag2 F12 O16 P2 -","- C360 H528 Ag12 F72 O96 P12 -","6","3","","Salorinne, Kirsi; Lopez-Acevedo, Olga; Nauha, Elisa; Häkkinen, Hannu; Nissinen, Maija","Solvent driven formation of silver embedded resorcinarene nanorods","CrystEngComm","2012","14","2","347","","10.1039/c1ce05737e","","","1.54178","CuKα","","0.1457","0.0996","","","0.2436","0.2758","","","","","","1.045","","","","has coordinates,has disorder","180400","2020-10-21","18:00:00",""
"7206970","15.1333","0.0004","19.3949","0.0005","23.3326","0.0006","90","","90","","90","","6848.3","0.3","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C62 H92 Ag2 F12 O16 P2 -","- C62 H92 Ag2 F12 O16 P2 -","- C248 H368 Ag8 F48 O64 P8 -","4","0.5","","Salorinne, Kirsi; Lopez-Acevedo, Olga; Nauha, Elisa; Häkkinen, Hannu; Nissinen, Maija","Solvent driven formation of silver embedded resorcinarene nanorods","CrystEngComm","2012","14","2","347","","10.1039/c1ce05737e","","","1.54178","CuKα","","0.0904","0.0533","","","0.1145","0.1316","","","","","","1.036","","","","has coordinates,has disorder","180400","2020-10-21","18:00:00",""
"7206971","14.8806","0.0003","19.7336","0.0004","23.4274","0.0006","90","","90","","90","","6879.4","0.3","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C62 H92 Ag2 F12 O16 P2 -","- C62 H92 Ag2 F12 O16 P2 -","- C248 H368 Ag8 F48 O64 P8 -","4","0.5","","Salorinne, Kirsi; Lopez-Acevedo, Olga; Nauha, Elisa; Häkkinen, Hannu; Nissinen, Maija","Solvent driven formation of silver embedded resorcinarene nanorods","CrystEngComm","2012","14","2","347","","10.1039/c1ce05737e","","","1.54178","CuKα","","0.0899","0.0558","","","0.1231","0.1422","","","","","","1.02","","","","has coordinates,has disorder","180400","2020-10-21","18:00:00",""
"7206972","5.8602","0.0009","11.1388","0.0017","12.2634","0.0018","77.982","0.002","77.019","0.002","80.274","0.002","756.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H32 Cu N2 O10 -","- C32 H32 Cu N2 O10 -","- C32 H32 Cu N2 O10 -","1","0.5","","Liu, Guang-Zhen; Wang, Jian-Ge; Wang, Li-Ya","Divalent metal coordination polymers assembled from dual linkers ‒ semirigid carboxyphenylpropionate and dipyridyl type molecule","CrystEngComm","2012","14","3","951","","10.1039/c1ce05760j","","","0.71073","MoKα","","0.048","0.0369","","","0.075","0.0795","","","","","","1.034","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206973","16.475","0.003","20.866","0.004","12.955","0.002","90","","92.389","0.002","90","","4449.6","1.4","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C44 H46 Cu2 N4 O13 -","- C44 H46 Cu2 N4 O13 -","- C176 H184 Cu8 N16 O52 -","4","1","","Liu, Guang-Zhen; Wang, Jian-Ge; Wang, Li-Ya","Divalent metal coordination polymers assembled from dual linkers ‒ semirigid carboxyphenylpropionate and dipyridyl type molecule","CrystEngComm","2012","14","3","951","","10.1039/c1ce05760j","","","0.71073","MoKα","","0.0562","0.0407","","","0.088","0.0951","","","","","","1.029","","","","has coordinates,has disorder","180400","2020-10-21","18:00:00",""
"7206974","28.262","0.005","9.1619","0.0018","20.511","0.004","90","","90","","90","","5311","1.7","296","2","296","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C28 H25 N3 Ni O5 -","- C28 H25 N3 Ni O5 -","- C224 H200 N24 Ni8 O40 -","8","1","","Liu, Guang-Zhen; Wang, Jian-Ge; Wang, Li-Ya","Divalent metal coordination polymers assembled from dual linkers ‒ semirigid carboxyphenylpropionate and dipyridyl type molecule","CrystEngComm","2012","14","3","951","","10.1039/c1ce05760j","","","0.71073","MoKα","","0.1216","0.0674","","","0.1716","0.2049","","","","","","1.108","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206975","7.57","0.02","10.52","0.03","12.86","0.03","92.6","0.03","100.14","0.03","93.61","0.03","1004","5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H46 N4 Ni O10 -","- C44 H46 N4 Ni O10 -","- C44 H46 N4 Ni O10 -","1","0.5","","Liu, Guang-Zhen; Wang, Jian-Ge; Wang, Li-Ya","Divalent metal coordination polymers assembled from dual linkers ‒ semirigid carboxyphenylpropionate and dipyridyl type molecule","CrystEngComm","2012","14","3","951","","10.1039/c1ce05760j","","","0.71073","MoKα","","0.1165","0.0747","","","0.1748","0.1979","","","","","","1.046","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206976","7.1309","0.0009","11.1104","0.0015","13.2196","0.0017","91.756","0.002","91.702","0.002","92.444","0.002","1045.4","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H50 Co N4 O12 -","- C44 H50 Co N4 O12 -","- C44 H50 Co N4 O12 -","1","0.5","","Liu, Guang-Zhen; Wang, Jian-Ge; Wang, Li-Ya","Divalent metal coordination polymers assembled from dual linkers ‒ semirigid carboxyphenylpropionate and dipyridyl type molecule","CrystEngComm","2012","14","3","951","","10.1039/c1ce05760j","","","0.71073","MoKα","","0.057","0.0412","","","0.0887","0.0935","","","","","","1.049","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206977","10.4471","0.0009","11.3138","0.0009","16.9704","0.0014","87.387","0.001","80.218","0.001","66.141","0.001","1807.2","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H36 Co2 N3 O9 -","- C38 H36 Co2 N3 O9 -","- C76 H72 Co4 N6 O18 -","2","1","","Liu, Guang-Zhen; Wang, Jian-Ge; Wang, Li-Ya","Divalent metal coordination polymers assembled from dual linkers ‒ semirigid carboxyphenylpropionate and dipyridyl type molecule","CrystEngComm","2012","14","3","951","","10.1039/c1ce05760j","","","0.71073","MoKα","","0.0369","0.0293","","","0.0748","0.078","","","","","","1.027","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206978","10.507","0.002","10.643","0.002","23.51","0.005","90","","90","","90","","2629","0.9","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 Cu4 I6 N4 -","- C14 H14 Cu4 I6 N4 -","- C56 H56 Cu16 I24 N16 -","4","1","","Chan, Henry; Chen, Yang; Dai, Ming; Lü, Chun-Ning; Wang, Hui-Fang; Ren, Zhi-Gang; Huang, Zheng-Jun; Ni, Chun-Yan; Lang, Jian-Ping","Multi-dimensional iodocuprates of 4-cyanopyridinium and N,N′-dialkyl-4,4′-bipyridinium: syntheses, structures and dielectric properties","CrystEngComm","2012","14","2","466","","10.1039/c1ce05770g","","","0.71073","MoKα","","0.0618","0.0523","","","0.1217","0.1349","","","","","","1.003","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206979","14.015","0.003","14.015","0.003","6.6579","0.0013","90","","90","","90","","1307.7","0.5","223","2","223","2","","","","","","","","5","P 42","P 4c","77","","","","- C9 H11 Cu I2 N2 -","- C9 H11 Cu I2 N2 -","- C36 H44 Cu4 I8 N8 -","4","1","","Chan, Henry; Chen, Yang; Dai, Ming; Lü, Chun-Ning; Wang, Hui-Fang; Ren, Zhi-Gang; Huang, Zheng-Jun; Ni, Chun-Yan; Lang, Jian-Ping","Multi-dimensional iodocuprates of 4-cyanopyridinium and N,N′-dialkyl-4,4′-bipyridinium: syntheses, structures and dielectric properties","CrystEngComm","2012","14","2","466","","10.1039/c1ce05770g","","","0.71073","MoKα","","0.0366","0.0293","","","0.0496","0.0526","","","","","","0.991","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206980","20.19","0.003","20.19","0.003","6.4628","0.0013","90","","90","","90","","2634.5","0.8","223","2","223","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C9 H11 Cu I2 N2 -","- C9 H11 Cu I2 N2 -","- C72 H88 Cu8 I16 N16 -","8","1","","Chan, Henry; Chen, Yang; Dai, Ming; Lü, Chun-Ning; Wang, Hui-Fang; Ren, Zhi-Gang; Huang, Zheng-Jun; Ni, Chun-Yan; Lang, Jian-Ping","Multi-dimensional iodocuprates of 4-cyanopyridinium and N,N′-dialkyl-4,4′-bipyridinium: syntheses, structures and dielectric properties","CrystEngComm","2012","14","2","466","","10.1039/c1ce05770g","","","0.71073","MoKα","","0.0529","0.0509","","","0.1193","0.1208","","","","","","1.036","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206981","12.472","0.0018","12.472","0.0018","6.7927","0.0014","90","","90","","90","","1056.6","0.3","223","2","223","2","","","","","","","","5","P 42/m n m","-P 4n 2n","136","","","","- C7 H9 Cu I2 N -","- C7 H10 Cu I2 N -","- C28 H40 Cu4 I8 N4 -","4","0.25","","Chan, Henry; Chen, Yang; Dai, Ming; Lü, Chun-Ning; Wang, Hui-Fang; Ren, Zhi-Gang; Huang, Zheng-Jun; Ni, Chun-Yan; Lang, Jian-Ping","Multi-dimensional iodocuprates of 4-cyanopyridinium and N,N′-dialkyl-4,4′-bipyridinium: syntheses, structures and dielectric properties","CrystEngComm","2012","14","2","466","","10.1039/c1ce05770g","","","0.71073","MoKα","","0.0316","0.0299","","","0.0756","0.0765","","","","","","1.172","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206982","17.911","0.003","17.911","0.003","6.827","0.0014","90","","90","","90","","2190.1","0.7","223","2","223","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C8 H11 Cu I2 N -","- C8 H11 Cu I2 N -","- C64 H88 Cu8 I16 N8 -","8","1","","Chan, Henry; Chen, Yang; Dai, Ming; Lü, Chun-Ning; Wang, Hui-Fang; Ren, Zhi-Gang; Huang, Zheng-Jun; Ni, Chun-Yan; Lang, Jian-Ping","Multi-dimensional iodocuprates of 4-cyanopyridinium and N,N′-dialkyl-4,4′-bipyridinium: syntheses, structures and dielectric properties","CrystEngComm","2012","14","2","466","","10.1039/c1ce05770g","","","0.71073","MoKα","","0.0435","0.0407","","","0.089","0.0902","","","","","","1.174","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206983","9.2235","0.001","9.83","0.001","10.5498","0.0013","84.376","0.007","65.63","0.006","86.336","0.008","866.81","0.17","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H14 N2 O10 U -","- C12 H14 N2 O10 U -","- C24 H28 N4 O20 U2 -","2","1","","Thuéry, Pierre; Masci, Bernardo","Uranyl‒organic one- and two-dimensional assemblies with 2,2′-bipyridine-3,3′-dicarboxylic, biphenyl-3,3′,4,4′-tetracarboxylic and bicyclo[2.2.2]oct-7-ene-2,3,5,6-tetracarboxylic acids","CrystEngComm","2012","14","1","131","","10.1039/c1ce05772c","","","0.71073","MoKα","","0.0335","0.0282","","","0.0678","0.0693","","","","","","1.026","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206984","9.1796","0.0006","9.9326","0.0006","10.5607","0.0006","88.852","0.004","65.327","0.004","84.468","0.003","870.7","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H14 N3 O7.5 U -","- C15 H14 N3 O7.5 U -","- C30 H28 N6 O15 U2 -","2","1","","Thuéry, Pierre; Masci, Bernardo","Uranyl‒organic one- and two-dimensional assemblies with 2,2′-bipyridine-3,3′-dicarboxylic, biphenyl-3,3′,4,4′-tetracarboxylic and bicyclo[2.2.2]oct-7-ene-2,3,5,6-tetracarboxylic acids","CrystEngComm","2012","14","1","131","","10.1039/c1ce05772c","","","0.71073","MoKα","","0.0275","0.0261","","","0.0651","0.0657","","","","","","1.078","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206985","8.9172","0.0006","27.7936","0.0018","10.6743","0.0005","90","","113.777","0.004","90","","2421","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 N4 O11 U -","- C24 H16 N4 O11 U -","- C96 H64 N16 O44 U4 -","4","1","","Thuéry, Pierre; Masci, Bernardo","Uranyl‒organic one- and two-dimensional assemblies with 2,2′-bipyridine-3,3′-dicarboxylic, biphenyl-3,3′,4,4′-tetracarboxylic and bicyclo[2.2.2]oct-7-ene-2,3,5,6-tetracarboxylic acids","CrystEngComm","2012","14","1","131","","10.1039/c1ce05772c","","","0.71073","MoKα","","0.03","0.0212","","","0.0465","0.0484","","","","","","1.022","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206986","5.5628","0.0003","6.5429","0.0003","13.8049","0.0009","99.877","0.004","91.181","0.004","111.977","0.003","457.06","0.05","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H16 O14 U -","- C16 H16 O14 U -","- C16 H16 O14 U -","1","0.5","","Thuéry, Pierre; Masci, Bernardo","Uranyl‒organic one- and two-dimensional assemblies with 2,2′-bipyridine-3,3′-dicarboxylic, biphenyl-3,3′,4,4′-tetracarboxylic and bicyclo[2.2.2]oct-7-ene-2,3,5,6-tetracarboxylic acids","CrystEngComm","2012","14","1","131","","10.1039/c1ce05772c","","","0.71073","MoKα","","0.0218","0.0206","","","0.0498","0.0499","","","","","","1.058","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206987","13.2312","0.0004","12.9824","0.0007","25.096","0.0013","90","","96.853","0.003","90","","4280","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H50 O38 U3 -","- C24 H42 O38 U3 -","- C96 H168 O152 U12 -","4","1","","Thuéry, Pierre; Masci, Bernardo","Uranyl‒organic one- and two-dimensional assemblies with 2,2′-bipyridine-3,3′-dicarboxylic, biphenyl-3,3′,4,4′-tetracarboxylic and bicyclo[2.2.2]oct-7-ene-2,3,5,6-tetracarboxylic acids","CrystEngComm","2012","14","1","131","","10.1039/c1ce05772c","","","0.71073","MoKα","","0.0584","0.0345","","","0.0656","0.0703","","","","","","1.016","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206988","10.963","0.007","7.953","0.004","16.433","0.006","90","","97.92","0.03","90","","1419.1","1.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H20 N2 O3 -","- C14 H20 N2 O3 -","- C56 H80 N8 O12 -","4","1","","Puigjaner, Cristina; Barbas, Rafael; Portell, Anna; Valverde, Ismael; Vila, Xavier; Alcobé, Xavier; Font-Bardia, Mercè; Prohens, Rafel","A cocrystal is the key intermediates for the production of a new polymorph of Vorinostat","CrystEngComm","2012","14","2","362","","10.1039/c1ce05799e","","","0.71073","MoKα","","0.0514","0.0511","","","0.1112","0.1113","","","","","","1.489","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206989","15.027","0.011","5.096","0.003","18.258","0.007","90","","104.15","0.03","90","","1355.7","1.4","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C14 H20 N2 O3 -","- C14 H20 N2 O3 -","- C56 H80 N8 O12 -","4","1","","Puigjaner, Cristina; Barbas, Rafael; Portell, Anna; Valverde, Ismael; Vila, Xavier; Alcobé, Xavier; Font-Bardia, Mercè; Prohens, Rafel","A cocrystal is the key intermediates for the production of a new polymorph of Vorinostat","CrystEngComm","2012","14","2","362","","10.1039/c1ce05799e","","","0.71073","MoKα","","0.0588","0.0519","","","0.1541","0.1593","","","","","","1.105","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206990","71.963","0.014","4.995","0.002","8.096","0.011","90","","92.19","0.08","90","","2908","4","105","2","105","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H43 N5 O6 -","- C28 H43 N5 O6 -","- C112 H172 N20 O24 -","4","0.5","","Puigjaner, Cristina; Barbas, Rafael; Portell, Anna; Valverde, Ismael; Vila, Xavier; Alcobé, Xavier; Font-Bardia, Mercè; Prohens, Rafel","A cocrystal is the key intermediates for the production of a new polymorph of Vorinostat","CrystEngComm","2012","14","2","362","","10.1039/c1ce05799e","","","0.71073","MoKα","","0.259","0.0612","","","0.1866","0.2558","","","","","","0.935","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206991","19.3146","0.0004","8.46572","0.00007","8.94208","0.0001","90","","94.522","0.0012","90","","1457.59","0.04","295","","295","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","suberoylanilide hydroxamic acid","suberoylanilide hydroxamic acid","","- C14 H20 N2 O3 -","- C14 H20 N2 O3 -","- C56 H80 N8 O12 -","4","1","","Puigjaner, Cristina; Barbas, Rafael; Portell, Anna; Valverde, Ismael; Vila, Xavier; Alcobé, Xavier; Font-Bardia, Mercè; Prohens, Rafel","A cocrystal is the key intermediates for the production of a new polymorph of Vorinostat","CrystEngComm","2012","14","2","362","","10.1039/c1ce05799e","powder diffraction","","1.5418","CuKα","","","","","","","","","2.8322","","","","","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206992","10.511","0.0013","16.749","0.002","18.137","0.002","88.538","0.002","77.585","0.002","87.949","0.002","3115.8","0.6","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H84 O18 S4 -","- C56 H84 O18 S4 -","- C112 H168 O36 S8 -","2","1","","Li, Yan; Yang, Weiping; Guo, Rong; Chen, Yuanyin; Gong, Shuling","Invariant water inclusion property of 1,3-alternate p-tert-butylthiacalix[4]arene tetra-methyleneoxycarboxylic acid","CrystEngComm","2012","14","4","1455","","10.1039/c1ce05800b","","","0.71073","MoKα","","0.1092","0.0831","","","0.2157","0.233","","","","","","1.037","","","","has coordinates,has disorder","180400","2020-10-21","18:00:00",""
"7206993","10.501","0.008","30.32","0.02","18.838","0.014","90","","101.453","0.015","90","","5878","7","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C54 H72 O16 S4 -","- C54 H72 O16 S4 -","- C216 H288 O64 S16 -","4","1","","Li, Yan; Yang, Weiping; Guo, Rong; Chen, Yuanyin; Gong, Shuling","Invariant water inclusion property of 1,3-alternate p-tert-butylthiacalix[4]arene tetra-methyleneoxycarboxylic acid","CrystEngComm","2012","14","4","1455","","10.1039/c1ce05800b","","","0.71073","MoKα","","0.1585","0.1143","","","0.2411","0.2646","","","","","","1.117","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206994","17.0728","0.0015","20.25","0.0018","17.4372","0.0016","90","","103.453","0.002","90","","5863","0.9","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C53 H64 N O14 S4 -","- C53 H64 N O14 S4 -","- C212 H256 N4 O56 S16 -","4","1","","Li, Yan; Yang, Weiping; Guo, Rong; Chen, Yuanyin; Gong, Shuling","Invariant water inclusion property of 1,3-alternate p-tert-butylthiacalix[4]arene tetra-methyleneoxycarboxylic acid","CrystEngComm","2012","14","4","1455","","10.1039/c1ce05800b","","","0.71073","MoKα","","0.0987","0.0549","","","0.1348","0.1466","","","","","","0.888","","","","has coordinates,has disorder","180400","2020-10-21","18:00:00",""
"7206995","10.3369","0.0008","13.2291","0.001","13.3387","0.0011","85.405","0.001","79.615","0.001","81.554","0.001","1772","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H32 O14 S4 -","- C34 H32 O14 S4 -","- C68 H64 O28 S8 -","2","1","","Li, Yan; Yang, Weiping; Guo, Rong; Chen, Yuanyin; Gong, Shuling","Invariant water inclusion property of 1,3-alternate p-tert-butylthiacalix[4]arene tetra-methyleneoxycarboxylic acid","CrystEngComm","2012","14","4","1455","","10.1039/c1ce05800b","","","0.71073","MoKα","","0.0772","0.0562","","","0.133","0.1444","","","","","","0.996","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7206996","10.0799","0.0016","10.1897","0.0017","20.368","0.003","98.999","0.002","90.299","0.002","115.445","0.002","1859.7","0.5","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H32 O14 S4 -","- C35 H32 O14 S4 -","- C70 H64 O28 S8 -","2","1","","Li, Yan; Yang, Weiping; Guo, Rong; Chen, Yuanyin; Gong, Shuling","Invariant water inclusion property of 1,3-alternate p-tert-butylthiacalix[4]arene tetra-methyleneoxycarboxylic acid","CrystEngComm","2012","14","4","1455","","10.1039/c1ce05800b","","","0.71073","MoKα","","0.0595","0.0424","","","0.0957","0.1073","","","","","","1.021","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206997","7.9311","0.0007","19.6432","0.0017","15.5657","0.0013","90","","90","","90","","2425","0.4","293","2","293","2","","","","","","","","5","P b a n :2","-P 2ab 2b","50","","","","- C52 H44 N4 O14 S4 -","- C52 H28 N4 O14 S4 -","- C104 H56 N8 O28 S8 -","2","0.25","","Li, Yan; Yang, Weiping; Guo, Rong; Chen, Yuanyin; Gong, Shuling","Invariant water inclusion property of 1,3-alternate p-tert-butylthiacalix[4]arene tetra-methyleneoxycarboxylic acid","CrystEngComm","2012","14","4","1455","","10.1039/c1ce05800b","","","0.71073","MoKα","","0.1294","0.1231","","","0.2887","0.2913","","","","","","1.269","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206998","22.541","0.0006","22.541","0.0006","14.6276","0.0005","90","","90","","90","","7432.2","0.4","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C14 H20 Cu2 I2 N4 -","- C14 H20 Cu2 I2 N4 -","- C224 H320 Cu32 I32 N64 -","16","1","","Bai, Shi-Qiang; Yong, Anna Marie; Hu, Jian Jin; Young, David J.; Zhang, Xinhai; Zong, Yun; Xu, Jianwei; Zuo, Jing-Lin; Hor, T. S. Andy","Zinc, cobalt and copper coordination polymers with different structural motifs from picolyl-triazole hybrid ligands","CrystEngComm","2012","14","3","961","","10.1039/c1ce05808h","","","0.71073","MoKα","","0.0365","0.0324","","","0.0838","0.0857","","","","","","1.071","","","","has coordinates,has disorder","180400","2020-10-21","18:00:00",""
"7206999","9.171","0.0005","9.8","0.0005","19.7984","0.001","90","","94.348","0.001","90","","1774.28","0.16","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H44 Cl2 Co N8 O12 -","- C26 H44 Cl2 Co N8 O12 -","- C52 H88 Cl4 Co2 N16 O24 -","2","0.5","","Bai, Shi-Qiang; Yong, Anna Marie; Hu, Jian Jin; Young, David J.; Zhang, Xinhai; Zong, Yun; Xu, Jianwei; Zuo, Jing-Lin; Hor, T. S. Andy","Zinc, cobalt and copper coordination polymers with different structural motifs from picolyl-triazole hybrid ligands","CrystEngComm","2012","14","3","961","","10.1039/c1ce05808h","","","0.71073","MoKα","","0.0423","0.0379","","","0.0962","0.0988","","","","","","1.062","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7207000","12.4667","0.0006","9.3666","0.0005","14.1959","0.0007","90","","112.62","0.001","90","","1530.15","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 Cl2 N4 Zn -","- C12 H16 Cl2 N4 Zn -","- C48 H64 Cl8 N16 Zn4 -","4","1","","Bai, Shi-Qiang; Yong, Anna Marie; Hu, Jian Jin; Young, David J.; Zhang, Xinhai; Zong, Yun; Xu, Jianwei; Zuo, Jing-Lin; Hor, T. S. Andy","Zinc, cobalt and copper coordination polymers with different structural motifs from picolyl-triazole hybrid ligands","CrystEngComm","2012","14","3","961","","10.1039/c1ce05808h","","","0.71073","MoKα","","0.0258","0.0241","","","0.0638","0.0646","","","","","","1.067","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207001","16.6738","0.0008","8.988","0.0004","11.4645","0.0006","90","","106.824","0.001","90","","1644.58","0.14","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 Cl2 N4 Zn -","- C13 H18 Cl2 N4 Zn -","- C52 H72 Cl8 N16 Zn4 -","4","1","","Bai, Shi-Qiang; Yong, Anna Marie; Hu, Jian Jin; Young, David J.; Zhang, Xinhai; Zong, Yun; Xu, Jianwei; Zuo, Jing-Lin; Hor, T. S. Andy","Zinc, cobalt and copper coordination polymers with different structural motifs from picolyl-triazole hybrid ligands","CrystEngComm","2012","14","3","961","","10.1039/c1ce05808h","","","0.71073","MoKα","","0.0344","0.0289","","","0.0869","0.1067","","","","","","1.226","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207002","11.9395","0.0006","8.8292","0.0005","15.6367","0.0009","90","","96.73","0.001","90","","1637","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 Cl2 N4 Zn -","- C14 H20 Cl2 N4 Zn -","- C56 H80 Cl8 N16 Zn4 -","4","1","","Bai, Shi-Qiang; Yong, Anna Marie; Hu, Jian Jin; Young, David J.; Zhang, Xinhai; Zong, Yun; Xu, Jianwei; Zuo, Jing-Lin; Hor, T. S. Andy","Zinc, cobalt and copper coordination polymers with different structural motifs from picolyl-triazole hybrid ligands","CrystEngComm","2012","14","3","961","","10.1039/c1ce05808h","","","0.71073","MoKα","","0.0426","0.0353","","","0.0835","0.0866","","","","","","1.044","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207003","9.1059","0.0007","9.757","0.0007","19.2007","0.0014","90","","101.22","0.002","90","","1673.3","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H40 Cl2 Co N8 O12 -","- C24 H40 Cl2 Co N8 O12 -","- C48 H80 Cl4 Co2 N16 O24 -","2","0.5","","Bai, Shi-Qiang; Yong, Anna Marie; Hu, Jian Jin; Young, David J.; Zhang, Xinhai; Zong, Yun; Xu, Jianwei; Zuo, Jing-Lin; Hor, T. S. Andy","Zinc, cobalt and copper coordination polymers with different structural motifs from picolyl-triazole hybrid ligands","CrystEngComm","2012","14","3","961","","10.1039/c1ce05808h","","","0.71073","MoKα","","0.0398","0.0353","","","0.0891","0.0921","","","","","","1.053","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207004","8.9695","0.0005","15.7723","0.0009","12.5159","0.0007","90","","98.588","0.001","90","","1750.77","0.17","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H43 Cl2 Cu N8 O11 -","- C26.723 H42.892 Cl2 Cu N8 O10.723 -","- C53.446 H85.784 Cl4 Cu2 N16 O21.446 -","2","1","","Bai, Shi-Qiang; Yong, Anna Marie; Hu, Jian Jin; Young, David J.; Zhang, Xinhai; Zong, Yun; Xu, Jianwei; Zuo, Jing-Lin; Hor, T. S. Andy","Zinc, cobalt and copper coordination polymers with different structural motifs from picolyl-triazole hybrid ligands","CrystEngComm","2012","14","3","961","","10.1039/c1ce05808h","","","0.71073","MoKα","","0.046","0.0419","","","0.106","0.1198","","","","","","1.093","","","","has coordinates,has disorder","180401","2020-10-21","18:00:00",""
"7207005","8.9908","0.0013","15.88","0.002","12.7955","0.0018","90","","100.11","0.003","90","","1798.5","0.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H46 Cl2 Cu N8 O11 -","- C28 H46 Cl2 Cu N8 O11 -","- C56 H92 Cl4 Cu2 N16 O22 -","2","1","","Bai, Shi-Qiang; Yong, Anna Marie; Hu, Jian Jin; Young, David J.; Zhang, Xinhai; Zong, Yun; Xu, Jianwei; Zuo, Jing-Lin; Hor, T. S. Andy","Zinc, cobalt and copper coordination polymers with different structural motifs from picolyl-triazole hybrid ligands","CrystEngComm","2012","14","3","961","","10.1039/c1ce05808h","","","0.71073","MoKα","","0.0506","0.047","","","0.1128","0.1158","","","","","","1.041","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207006","8.911","0.008","10.004","0.009","19.252","0.017","90","","101.2","0.02","90","","1684","3","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H40 Cl2 Cu N8 O12 -","- C24 H40 Cl2 Cu N8 O12 -","- C48 H80 Cl4 Cu2 N16 O24 -","2","0.5","","Bai, Shi-Qiang; Yong, Anna Marie; Hu, Jian Jin; Young, David J.; Zhang, Xinhai; Zong, Yun; Xu, Jianwei; Zuo, Jing-Lin; Hor, T. S. Andy","Zinc, cobalt and copper coordination polymers with different structural motifs from picolyl-triazole hybrid ligands","CrystEngComm","2012","14","3","961","","10.1039/c1ce05808h","","","0.71073","MoKα","","0.083","0.0659","","","0.173","0.1862","","","","","","1.071","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207007","8.7644","0.0006","15.8088","0.0011","11.4395","0.0008","90","","104.002","0.002","90","","1537.9","0.19","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 Cl2 N4 Zn -","- C12 H16 Cl2 N4 Zn -","- C48 H64 Cl8 N16 Zn4 -","4","1","","Bai, Shi-Qiang; Yong, Anna Marie; Hu, Jian Jin; Young, David J.; Zhang, Xinhai; Zong, Yun; Xu, Jianwei; Zuo, Jing-Lin; Hor, T. S. Andy","Zinc, cobalt and copper coordination polymers with different structural motifs from picolyl-triazole hybrid ligands","CrystEngComm","2012","14","3","961","","10.1039/c1ce05808h","","","0.71073","MoKα","","0.0444","0.0373","","","0.0933","0.0966","","","","","","1.066","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207008","8.7376","0.0014","15.69","0.003","11.0903","0.0017","90","","102.331","0.003","90","","1485.3","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 Cl2 N4 Zn -","- C12 H16 Cl2 N4 Zn -","- C48 H64 Cl8 N16 Zn4 -","4","1","","Bai, Shi-Qiang; Yong, Anna Marie; Hu, Jian Jin; Young, David J.; Zhang, Xinhai; Zong, Yun; Xu, Jianwei; Zuo, Jing-Lin; Hor, T. S. Andy","Zinc, cobalt and copper coordination polymers with different structural motifs from picolyl-triazole hybrid ligands","CrystEngComm","2012","14","3","961","","10.1039/c1ce05808h","","","0.71073","MoKα","","0.0265","0.0242","","","0.0608","0.0618","","","","","","1.056","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207009","10.253","0.005","10.665","0.005","10.74","0.005","94.601","0.005","113.788","0.005","110.685","0.005","970.7","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H28 N2 O14 Zn3 -","- C42 H28 N2 O14 Zn3 -","- C42 H28 N2 O14 Zn3 -","1","0.5","","Li, Lian-Jie; Qin, Chao; Wang, Xin-Long; Wang, Shuang; Zhao, Liang; Yang, Guang-Sheng; Wang, Hai-Ning; Yuan, Gang; Shao, Kui-Zhan; Su, Zhong-Min","pH variation induced construction of a series of entangled frameworks based on bi- and tri-metallic cores as nodes","CrystEngComm","2012","14","1","124","","10.1039/c1ce05810j","","","0.71069","MoKα","","0.0411","0.0297","","","0.082","0.0883","","","","","","1.039","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207010","15.236","0.005","13.873","0.005","15.344","0.005","90","","109.954","0.005","90","","3048.5","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H24 N2 O11 Zn2 -","- C34 H24 N2 O11 Zn2 -","- C136 H96 N8 O44 Zn8 -","4","0.5","","Li, Lian-Jie; Qin, Chao; Wang, Xin-Long; Wang, Shuang; Zhao, Liang; Yang, Guang-Sheng; Wang, Hai-Ning; Yuan, Gang; Shao, Kui-Zhan; Su, Zhong-Min","pH variation induced construction of a series of entangled frameworks based on bi- and tri-metallic cores as nodes","CrystEngComm","2012","14","1","124","","10.1039/c1ce05810j","","","0.71069","MoKα","","0.0635","0.0418","","","0.1199","0.1355","","","","","","0.902","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207011","26.912","0.005","14.301","0.005","13.659","0.005","90","","98.357","0.005","90","","5201","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H40 N4 O17 Zn2 -","- C54 H40 N4 O17 Zn2 -","- C216 H160 N16 O68 Zn8 -","4","1","","Li, Lian-Jie; Qin, Chao; Wang, Xin-Long; Wang, Shuang; Zhao, Liang; Yang, Guang-Sheng; Wang, Hai-Ning; Yuan, Gang; Shao, Kui-Zhan; Su, Zhong-Min","pH variation induced construction of a series of entangled frameworks based on bi- and tri-metallic cores as nodes","CrystEngComm","2012","14","1","124","","10.1039/c1ce05810j","","","0.71069","MoKα","","0.1639","0.0695","","","0.1681","0.1941","","","","","","1.02","","","","has coordinates,has disorder","180401","2020-10-21","18:00:00",""
"7207012","8.359","0.005","16.453","0.005","25.367","0.005","90","0.005","94.624","0.005","90","0.005","3477","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 N2 O15 Zn2 -","- C36 H24 N2 O15 Zn2 -","- C144 H96 N8 O60 Zn8 -","4","1","","Li, Lian-Jie; Qin, Chao; Wang, Xin-Long; Wang, Shuang; Zhao, Liang; Yang, Guang-Sheng; Wang, Hai-Ning; Yuan, Gang; Shao, Kui-Zhan; Su, Zhong-Min","pH variation induced construction of a series of entangled frameworks based on bi- and tri-metallic cores as nodes","CrystEngComm","2012","14","1","124","","10.1039/c1ce05810j","","","0.71069","MoKα","","0.072","0.0431","","","0.1003","0.118","","","","","","1.013","","","","has coordinates,has disorder","180401","2020-10-21","18:00:00",""
"7207013","8.536","0.005","11.784","0.005","17.045","0.005","78.081","0.005","78.047","0.005","78.722","0.005","1620.1","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H26 N2 O15 Zn2 -","- C36 H26 N2 O15 Zn2 -","- C72 H52 N4 O30 Zn4 -","2","1","","Li, Lian-Jie; Qin, Chao; Wang, Xin-Long; Wang, Shuang; Zhao, Liang; Yang, Guang-Sheng; Wang, Hai-Ning; Yuan, Gang; Shao, Kui-Zhan; Su, Zhong-Min","pH variation induced construction of a series of entangled frameworks based on bi- and tri-metallic cores as nodes","CrystEngComm","2012","14","1","124","","10.1039/c1ce05810j","","","0.71069","MoKα","","0.0728","0.0463","","","0.1159","0.1281","","","","","","1.037","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207014","10.3966","0.0011","10.3966","0.0011","27.848","0.006","90","","90","","120","","2606.8","0.7","298","2","298","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C30 H60 Cl4 Cu5 N6 O34 -","- C30 H60 Cl4 Cu5 N6 O34 -","- C60 H120 Cl8 Cu10 N12 O68 -","2","0.166667","","Zhang, Zhong; Lu, Jian-Qi; Wu, Di-Feng; Chen, Zi-Lu; Liang, Fu-Pei; Wang, Zhi-Lin","Structural diversity of transition-metal complexes derived from N-propionic acid functionalized 1,4,7-triazacyclononane: From enchanting cluster motifs to unprecedented homometallic polymeric networks","CrystEngComm","2012","14","4","1354","","10.1039/c1ce05816a","","","0.71073","MoKα","","0.0883","0.0657","","","0.1729","0.1847","","","","","","1.168","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207015","12.8299","0.0016","28.962","0.0018","15.5709","0.0011","90","","103.01","0.02","90","","5637.3","1","291","2","291","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C60 H150 Cl6 N12 O75 Zn9 -","- C60 H150 Cl6 N12 O75 Zn9 -","- C120 H300 Cl12 N24 O150 Zn18 -","2","0.25","","Zhang, Zhong; Lu, Jian-Qi; Wu, Di-Feng; Chen, Zi-Lu; Liang, Fu-Pei; Wang, Zhi-Lin","Structural diversity of transition-metal complexes derived from N-propionic acid functionalized 1,4,7-triazacyclononane: From enchanting cluster motifs to unprecedented homometallic polymeric networks","CrystEngComm","2012","14","4","1354","","10.1039/c1ce05816a","","","0.71073","MoKα","","0.0542","0.0443","","","0.1158","0.1204","","","","","","1.087","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207016","9.5334","0.0019","10.12","0.002","12.316","0.002","70.239","0.003","86.463","0.003","70.013","0.003","1048.9","0.3","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H52 Cd2 Cl2 N6 O20 -","- C30 H52 Cd2 Cl2 N6 O20 -","- C30 H52 Cd2 Cl2 N6 O20 -","1","0.5","","Zhang, Zhong; Lu, Jian-Qi; Wu, Di-Feng; Chen, Zi-Lu; Liang, Fu-Pei; Wang, Zhi-Lin","Structural diversity of transition-metal complexes derived from N-propionic acid functionalized 1,4,7-triazacyclononane: From enchanting cluster motifs to unprecedented homometallic polymeric networks","CrystEngComm","2012","14","4","1354","","10.1039/c1ce05816a","","","0.71073","MoKα","","0.0792","0.0591","","","0.114","0.1189","","","","","","1.013","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207017","24.083","0.003","8.6672","0.0017","18.565","0.002","90","","119.03","0.03","90","","3388.3","1.3","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H24 Cd Cl N3 O8 -","- C10 H24 Cd Cl N3 O8 -","- C80 H192 Cd8 Cl8 N24 O64 -","8","1","","Zhang, Zhong; Lu, Jian-Qi; Wu, Di-Feng; Chen, Zi-Lu; Liang, Fu-Pei; Wang, Zhi-Lin","Structural diversity of transition-metal complexes derived from N-propionic acid functionalized 1,4,7-triazacyclononane: From enchanting cluster motifs to unprecedented homometallic polymeric networks","CrystEngComm","2012","14","4","1354","","10.1039/c1ce05816a","","","0.71073","MoKα","","0.1484","0.0929","","","0.1923","0.2127","","","","","","1.184","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207018","6.793","0.005","19.313","0.005","18.629","0.005","90","0.005","100.286","0.005","90","0.005","2405","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 Cu N5 O9 -","- C24 H20 Cu N5 O9 -","- C96 H80 Cu4 N20 O36 -","4","1","","Wang, Xiu-Li; Mu, Bao; Lin, Hong-Yan; Liu, Guo-Cheng; Tian, Ai-Xiang; Yang, Song","Assembly and property of four 2D layer-like coordination polymers with different structural features derived from bis(3-pyridylformyl)piperazine ligand and aromatic dicarboxylic acids with nitro group","CrystEngComm","2012","14","3","1001","","10.1039/c1ce05824j","","","0.71069","MoKα","","0.0627","0.039","","","0.0856","0.0936","","","","","","1.03","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207019","10.215","0.005","11.102","0.005","15.493","0.005","90","0.005","91.653","0.005","90","0.005","1756.3","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 Cu N3 O9 -","- C16 H13 Cu N3 O9 -","- C64 H52 Cu4 N12 O36 -","4","1","","Wang, Xiu-Li; Mu, Bao; Lin, Hong-Yan; Liu, Guo-Cheng; Tian, Ai-Xiang; Yang, Song","Assembly and property of four 2D layer-like coordination polymers with different structural features derived from bis(3-pyridylformyl)piperazine ligand and aromatic dicarboxylic acids with nitro group","CrystEngComm","2012","14","3","1001","","10.1039/c1ce05824j","","","0.71069","MoKα","","0.037","0.0341","","","0.0969","0.0988","","","","","","1.087","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207020","8.516","0.0015","10.2138","0.0019","10.5778","0.0019","108.121","0.002","93.204","0.002","101.663","0.002","849.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H11 Cd N3 O7 -","- C16 H11 Cd N3 O7 -","- C32 H22 Cd2 N6 O14 -","2","1","","Wang, Xiu-Li; Mu, Bao; Lin, Hong-Yan; Liu, Guo-Cheng; Tian, Ai-Xiang; Yang, Song","Assembly and property of four 2D layer-like coordination polymers with different structural features derived from bis(3-pyridylformyl)piperazine ligand and aromatic dicarboxylic acids with nitro group","CrystEngComm","2012","14","3","1001","","10.1039/c1ce05824j","","","0.71073","MoKα","","0.041","0.0329","","","0.0741","0.0773","","","","","","1.014","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207021","11.5358","0.0008","8.9425","0.0006","12.825","0.0009","90","","101.533","0.001","90","","1296.3","0.15","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H23 Cd N5 O10 -","- C24 H22 Cd N5 O10 -","- C48 H44 Cd2 N10 O20 -","2","1","","Wang, Xiu-Li; Mu, Bao; Lin, Hong-Yan; Liu, Guo-Cheng; Tian, Ai-Xiang; Yang, Song","Assembly and property of four 2D layer-like coordination polymers with different structural features derived from bis(3-pyridylformyl)piperazine ligand and aromatic dicarboxylic acids with nitro group","CrystEngComm","2012","14","3","1001","","10.1039/c1ce05824j","","","0.71073","MoKα","","0.0187","0.0183","","","0.0531","0.0536","","","","","","1.097","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207022","24.252","0.003","8.9154","0.0011","14.8686","0.0018","90","","109.953","0.001","90","","3021.9","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H12 Cd N6 O3 -","- C13 H10 Cd N6 O3 -","- C104 H80 Cd8 N48 O24 -","8","1","","Sun, Lin; Ma, Li; Cai, Jin-Biao; Liang, Li; Deng, Hong","Novel tetrazole-based metal‒organic frameworks constructed from in situ synthesize bifunctional ligands: syntheses, structure and luminescent properties","CrystEngComm","2012","14","3","890","","10.1039/c1ce05829k","","","0.71073","MoKα","","0.0552","0.0433","","","0.1221","0.132","","","","","","1.071","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7207023","23.742","0.005","8.9651","0.0018","16.641","0.003","90","","108.13","0.03","90","","3366.2","1.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H24.48 Cd2 N20 O2.24 -","- C26 H24.48 Cd2 N20 O2.24 -","- C104 H97.92 Cd8 N80 O8.96 -","4","0.5","","Sun, Lin; Ma, Li; Cai, Jin-Biao; Liang, Li; Deng, Hong","Novel tetrazole-based metal‒organic frameworks constructed from in situ synthesize bifunctional ligands: syntheses, structure and luminescent properties","CrystEngComm","2012","14","3","890","","10.1039/c1ce05829k","","","0.71073","MoKα","","0.0659","0.059","","","0.1563","0.1672","","","","","","1.046","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207024","22.854","0.005","8.9005","0.0019","15.976","0.003","90","","108.176","0.002","90","","3087.6","1.1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H26 N20 O3 Zn2 -","- C26 H26 N20 O3 Zn2 -","- C104 H104 N80 O12 Zn8 -","4","0.5","","Sun, Lin; Ma, Li; Cai, Jin-Biao; Liang, Li; Deng, Hong","Novel tetrazole-based metal‒organic frameworks constructed from in situ synthesize bifunctional ligands: syntheses, structure and luminescent properties","CrystEngComm","2012","14","3","890","","10.1039/c1ce05829k","","","0.71073","MoKα","","0.0352","0.0282","","","0.0692","0.0728","","","","","","1.067","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207025","13.78","0.002","7.6575","0.0013","10.3601","0.0018","90","","101.124","0.002","90","","1072.7","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 Cd N9 -","- C8 H6 Cd N9 -","- C32 H24 Cd4 N36 -","4","1","","Sun, Lin; Ma, Li; Cai, Jin-Biao; Liang, Li; Deng, Hong","Novel tetrazole-based metal‒organic frameworks constructed from in situ synthesize bifunctional ligands: syntheses, structure and luminescent properties","CrystEngComm","2012","14","3","890","","10.1039/c1ce05829k","","","0.71073","MoKα","","0.0289","0.027","","","0.0672","0.0682","","","","","","1.136","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207026","16.896","0.003","16.987","0.003","9.7748","0.0019","90","","119.087","0.002","90","","2451.7","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 N10 O7 Zn2 -","- C16 H20 N10 O7 Zn2 -","- C64 H80 N40 O28 Zn8 -","4","0.5","","Sun, Lin; Ma, Li; Cai, Jin-Biao; Liang, Li; Deng, Hong","Novel tetrazole-based metal‒organic frameworks constructed from in situ synthesize bifunctional ligands: syntheses, structure and luminescent properties","CrystEngComm","2012","14","3","890","","10.1039/c1ce05829k","","","0.71073","MoKα","","0.0454","0.0371","","","0.1105","0.1151","","","","","","1.117","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207027","14.078","0.003","9.3366","0.0017","22.029","0.004","90","","100.811","0.003","90","","2844.1","1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 Mn2 N20 -","- C26 H20 Mn2 N20 -","- C104 H80 Mn8 N80 -","4","1","","Sun, Lin; Ma, Li; Cai, Jin-Biao; Liang, Li; Deng, Hong","Novel tetrazole-based metal‒organic frameworks constructed from in situ synthesize bifunctional ligands: syntheses, structure and luminescent properties","CrystEngComm","2012","14","3","890","","10.1039/c1ce05829k","","","0.71073","MoKα","","0.1031","0.0493","","","0.1022","0.1214","","","","","","0.962","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207028","6.4347","0.0006","6.917","0.0007","7.7596","0.0006","90.268","0.004","107.581","0.004","108.201","0.003","310.89","0.05","167","2","167","2","","","","","","","","5","P -1","-P 1","2","Trans-diaqua-bis(ethylenediamine-N, N')-copper(ii) oxalate","Trans-diaqua-bis(ethylenediamine-N, N')-copper(II) oxalate","","- C6 H20 Cu N4 O6 -","- C6 H20 Cu N4 O6 -","- C6 H20 Cu N4 O6 -","1","0.5","","Keene, Tony D.; Hursthouse, Michael B.; Price, Daniel J.","Recurrent H-bond graph motifs between metal tris-ethylenediamine cations and uncoordinated oxalate anions: Fitting a three pin plug into a two pin socket","CrystEngComm","2012","14","1","116","","10.1039/c1ce05837a","","","0.71073","MoKα","","0.046","0.0414","","","0.0951","0.0982","","","","","","1.081","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207029","9.8795","0.0009","9.6336","0.0009","14.4612","0.0015","90","","91.718","0.005","90","","1375.7","0.2","167","2","167","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","tris(ethylenediamine-N,N')-copper(ii) oxalate","tris(ethylenediamine-N,N')-copper(II) oxalate","","- C8 H24 Cu N6 O4 -","- C8 H24 Cu N6 O4 -","- C32 H96 Cu4 N24 O16 -","4","1","","Keene, Tony D.; Hursthouse, Michael B.; Price, Daniel J.","Recurrent H-bond graph motifs between metal tris-ethylenediamine cations and uncoordinated oxalate anions: Fitting a three pin plug into a two pin socket","CrystEngComm","2012","14","1","116","","10.1039/c1ce05837a","","","0.71073","MoKα","","0.1153","0.0628","","","0.1265","0.143","","","","","","1.038","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207030","7.4525","0.0019","8.971","0.002","13.349","0.004","71.49","0.02","89.61","0.02","82.827","0.018","839.2","0.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","di-(tris-(ethylenediamine-N,N')-cobalt(iii)) tris-oxalate. 3.61 H2O","di-[tris-(ethylenediamine-N,N')-cobalt(III)] tris- oxalate. 3.61 H2O","","- C9 H27.61 Co N6 O7.805 -","- C9 H24 Co N6 O7.804 -","- C18 H48 Co2 N12 O15.608 -","2","1","","Keene, Tony D.; Hursthouse, Michael B.; Price, Daniel J.","Recurrent H-bond graph motifs between metal tris-ethylenediamine cations and uncoordinated oxalate anions: Fitting a three pin plug into a two pin socket","CrystEngComm","2012","14","1","116","","10.1039/c1ce05837a","","","0.71073","MoKα","","0.0896","0.0789","","","0.2028","0.2147","","","","","","1.071","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207031","28.964","0.002","10.3615","0.0005","12.7579","0.0008","90","","114.446","0.002","90","","3485.5","0.4","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","di-(tris-(ethylenediamine-N,N')-cobalt(iii)) tris-oxalate. 3.5 H2O","di-[tris-(ethylenediamine-N,N')-cobalt(III)] tris- oxalate. 3.5 H2O","","- C18 H62 Co2 N12 O19 -","- C18 H48 Co2 N12 O19 -","- C72 H192 Co8 N48 O76 -","4","0.5","","Keene, Tony D.; Hursthouse, Michael B.; Price, Daniel J.","Recurrent H-bond graph motifs between metal tris-ethylenediamine cations and uncoordinated oxalate anions: Fitting a three pin plug into a two pin socket","CrystEngComm","2012","14","1","116","","10.1039/c1ce05837a","","","0.71073","MoKα","","0.1132","0.0641","","","0.1532","0.1759","","","","","","1.052","","","","has coordinates,has disorder","180401","2020-10-21","18:00:00",""
"7207032","11.805","0.002","24.903","0.005","9.881","0.002","90","","103.12","0.03","90","","2829","1","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H20 In N2 O6 -","- C33 H20 In N2 O6 -","- C132 H80 In4 N8 O24 -","4","1","","Zhou, Guangpeng; Yang, Yulin; Fan, Ruiqing; Cao, Wenwu; Yang, Bin","From two-dimensional trapezoid-like layer to three-dimensional porous indium-4,4′-biphenyldicarboxylate MOFs","CrystEngComm","2012","14","1","193","","10.1039/c1ce05841j","","","0.71073","MoKα","","0.0729","0.0405","","","0.0783","0.0887","","","","","","1.017","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207033","5.9716","0.0012","28.516","0.006","7.5076","0.0015","90","","90","","90","","1278.4","0.5","294","2","294","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C14 H11 In O6 -","- C14 H11 In O6 -","- C56 H44 In4 O24 -","4","0.5","","Zhou, Guangpeng; Yang, Yulin; Fan, Ruiqing; Cao, Wenwu; Yang, Bin","From two-dimensional trapezoid-like layer to three-dimensional porous indium-4,4′-biphenyldicarboxylate MOFs","CrystEngComm","2012","14","1","193","","10.1039/c1ce05841j","","","0.71073","MoKα","","0.0394","0.0366","","","0.1212","0.1228","","","","","","1.019","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207034","23.129","0.005","39.47","0.008","40.61","0.008","90","","90","","90","","37073","13","294","2","294","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C30 H26 In N O9 -","- C30 H20 In N O9 -","- C960 H640 In32 N32 O288 -","32","1","","Zhou, Guangpeng; Yang, Yulin; Fan, Ruiqing; Cao, Wenwu; Yang, Bin","From two-dimensional trapezoid-like layer to three-dimensional porous indium-4,4′-biphenyldicarboxylate MOFs","CrystEngComm","2012","14","1","193","","10.1039/c1ce05841j","","","0.71073","MoKα","","0.1479","0.0696","","","0.1404","0.1613","","","","","","1.035","","","","has coordinates,has disorder","180401","2020-10-21","18:00:00",""
"7207035","10.4984","0.0003","7.7273","0.0002","15.4282","0.0004","90","","97.228","0.002","90","","1241.66","0.06","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H13 Mn O8 -","- C11 H9 Mn O8 -","- C44 H36 Mn4 O32 -","4","1","","Gong, Yun; Li, JingHua; Wu, Tao; Qin, JianBo; Cao, Rong; Li, Jian","Organic molecules induced crystal transformation from a two dimensional coordination polymer to chain-like structures","CrystEngComm","2012","14","2","663","","10.1039/c1ce05846k","","","0.71073","MoKα","","0.0449","0.0353","","","0.1046","0.1072","","","","","","1.095","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207036","17.3858","0.0005","7.7932","0.0003","10.8696","0.0004","90","","93.685","0.003","90","","1469.69","0.09","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C22 H36 Mn2 O20 -","- C22 H17 Mn2 O20 -","- C44 H34 Mn4 O40 -","2","0.5","","Gong, Yun; Li, JingHua; Wu, Tao; Qin, JianBo; Cao, Rong; Li, Jian","Organic molecules induced crystal transformation from a two dimensional coordination polymer to chain-like structures","CrystEngComm","2012","14","2","663","","10.1039/c1ce05846k","","","0.71073","MoKα","","0.0398","0.0364","","","0.0944","0.0962","","","","","","1.024","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207037","14.862","0.004","6.2531","0.0018","10.122","0.003","90","","90.938","0.004","90","","940.5","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 Mn O7 -","- C8 H6 Mn O7 -","- C32 H24 Mn4 O28 -","4","1","","Gong, Yun; Li, JingHua; Wu, Tao; Qin, JianBo; Cao, Rong; Li, Jian","Organic molecules induced crystal transformation from a two dimensional coordination polymer to chain-like structures","CrystEngComm","2012","14","2","663","","10.1039/c1ce05846k","","","0.71073","MoKα","","0.0329","0.0303","","","0.0876","0.0891","","","","","","1.106","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207038","18.7769","0.0014","19.8686","0.0014","8.7734","0.0006","90","","100.967","0.006","90","","3213.3","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 N10 O4 Zn -","- C28 H24 N10 O4 Zn -","- C112 H96 N40 O16 Zn4 -","4","0.5","","Haldar, Ritesh; Maji, Tapas Kumar","Selective carbon dioxide uptake and crystal-to-crystal transformation: porous 3D framework to 1D chain triggered by conformational change of the spacer","CrystEngComm","2012","14","2","684","","10.1039/c1ce05847a","","","0.71073","MoKα","","0.0917","0.0692","","","0.2033","0.2168","","","","","","1.038","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207039","18.7806","0.0005","19.9045","0.0005","8.7871","0.0002","90","","100.981","0.001","90","","3224.64","0.14","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 N10 O Zn -","- C28 H24 N10 O Zn -","- C112 H96 N40 O4 Zn4 -","4","0.5","","Haldar, Ritesh; Maji, Tapas Kumar","Selective carbon dioxide uptake and crystal-to-crystal transformation: porous 3D framework to 1D chain triggered by conformational change of the spacer","CrystEngComm","2012","14","2","684","","10.1039/c1ce05847a","","","0.71073","MoKα","","0.1016","0.0815","","","0.2585","0.2764","","","","","","1.151","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207040","18.5462","0.0009","20.0824","0.001","8.7759","0.0005","90","","101.244","0.003","90","","3205.9","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 N10 O5 Zn -","- C28 H24 N10 O5 Zn -","- C112 H96 N40 O20 Zn4 -","4","0.5","","Haldar, Ritesh; Maji, Tapas Kumar","Selective carbon dioxide uptake and crystal-to-crystal transformation: porous 3D framework to 1D chain triggered by conformational change of the spacer","CrystEngComm","2012","14","2","684","","10.1039/c1ce05847a","","","0.71073","MoKα","","0.1247","0.0809","","","0.2285","0.2649","","","","","","1.071","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207041","18.5114","0.0007","20.0115","0.0008","8.7093","0.0003","90","","100.555","0.002","90","","3171.7","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 Co N10 O4 -","- C28 H24 Co N10 O4 -","- C112 H96 Co4 N40 O16 -","4","0.5","","Haldar, Ritesh; Maji, Tapas Kumar","Selective carbon dioxide uptake and crystal-to-crystal transformation: porous 3D framework to 1D chain triggered by conformational change of the spacer","CrystEngComm","2012","14","2","684","","10.1039/c1ce05847a","","","0.71073","MoKα","","0.0903","0.0669","","","0.2051","0.2256","","","","","","1.066","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207042","9.545","0.004","10.223","0.003","13.408","0.006","72.634","0.006","74.208","0.005","62.075","0.005","1089.6","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H28 N4 O7 S -","- C17 H28 N4 O7 S -","- C34 H56 N8 O14 S2 -","2","1","","Bredikhin, Alexander A.; Bredikhina, Zemfira A.; Zakharychev, Dmitry V.; Gubaidullin, Aidar T.; Fayzullin, Robert R.","Chiral drug timolol maleate as a continuous solid solution: Thermochemical and single crystal X-ray evidence","CrystEngComm","2012","14","2","648","","10.1039/c1ce05850a","","","0.71073","MoKα","","0.1652","0.0521","","","0.0825","0.1015","","","","","","1.027","","","","has coordinates,has disorder","180401","2020-10-21","18:00:00",""
"7207043","9.755","0.002","10.131","0.002","13.114","0.003","75.536","0.017","71.965","0.018","62.562","0.015","1084.9","0.4","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C17 H28 N4 O7 S -","- C17 H28 N4 O7 S -","- C34 H56 N8 O14 S2 -","2","2","","Bredikhin, Alexander A.; Bredikhina, Zemfira A.; Zakharychev, Dmitry V.; Gubaidullin, Aidar T.; Fayzullin, Robert R.","Chiral drug timolol maleate as a continuous solid solution: Thermochemical and single crystal X-ray evidence","CrystEngComm","2012","14","2","648","","10.1039/c1ce05850a","","","0.71073","MoKα","","0.0795","0.0469","","","0.1121","0.1301","","","","","","1.013","","","","has coordinates,has disorder","180401","2020-10-21","18:00:00",""
"7207044","13.6224","0.0003","13.6224","0.0003","7.4935","0.0003","90","","90","","120","","1204.27","0.06","173","2","173","2","","","","","","","","6","P -3","-P 3","147","","","","- C30 H48 Cu3 La2 N6 O27 -","- C30 H36 Cu3 La2 N6 O27 -","- C30 H36 Cu3 La2 N6 O27 -","1","0.166667","","Zhuang, Gui-lin; Chen, Wen-xian; Zeng, Gan-ning; Wang, Jian-guo; Chen, Wu-lin","Position of substituent dependent dimensionality in Ln‒Cu heterometallic coordination polymers","CrystEngComm","2012","14","2","679","","10.1039/c1ce05864a","","","0.71073","MoKα","","0.0271","0.0248","","","0.0677","0.0682","","","","","","1.101","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207045","13.6614","0.0019","13.6614","0.0019","7.4147","0.0015","90","","90","","120","","1198.4","0.3","173","2","173","2","","","","","","","","6","P -3","-P 3","147","","","","- C30 H48 Cu3 N6 O27 Pr2 -","- C30 H36 Cu3 N6 O30 Pr2 -","- C30 H36 Cu3 N6 O30 Pr2 -","1","0.166667","","Zhuang, Gui-lin; Chen, Wen-xian; Zeng, Gan-ning; Wang, Jian-guo; Chen, Wu-lin","Position of substituent dependent dimensionality in Ln‒Cu heterometallic coordination polymers","CrystEngComm","2012","14","2","679","","10.1039/c1ce05864a","","","0.71073","MoKα","","0.0239","0.0232","","","0.063","0.0637","","","","","","1.078","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207046","13.6319","0.0019","13.6319","0.0019","7.3817","0.0015","90","","90","","120","","1188","0.3","298","2","298","2","","","","","","","","6","P -3","-P 3","147","","","","- C30 H48 Cu3 N6 Nd2 O27 -","- C30 H36 Cu3 N6 Nd2 O27 -","- C30 H36 Cu3 N6 Nd2 O27 -","1","0.166667","","Zhuang, Gui-lin; Chen, Wen-xian; Zeng, Gan-ning; Wang, Jian-guo; Chen, Wu-lin","Position of substituent dependent dimensionality in Ln‒Cu heterometallic coordination polymers","CrystEngComm","2012","14","2","679","","10.1039/c1ce05864a","","","0.71073","MoKα","","0.0296","0.0284","","","0.0733","0.0743","","","","","","1.096","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207047","6.9904","0.0004","9.6565","0.0004","14.2151","0.0006","82.948","0.004","85.238","0.004","76.655","0.004","925.1","0.08","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H48 Cu La2 N4 O26 -","- C20 H28 Cu La2 N4 O26 -","- C20 H28 Cu La2 N4 O26 -","1","0.5","","Zhuang, Gui-lin; Chen, Wen-xian; Zeng, Gan-ning; Wang, Jian-guo; Chen, Wu-lin","Position of substituent dependent dimensionality in Ln‒Cu heterometallic coordination polymers","CrystEngComm","2012","14","2","679","","10.1039/c1ce05864a","","","0.71073","MoKα","","0.03","0.0237","","","0.0591","0.0599","","","","","","1.046","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207048","6.9645","0.0014","9.7081","0.0019","14.259","0.003","82.88","0.03","85.24","0.03","76.75","0.03","929.7","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H48 Cu N4 O26 Pr2 -","- C20 H28 Cu N4 O26 Pr2 -","- C20 H28 Cu N4 O26 Pr2 -","1","0.5","","Zhuang, Gui-lin; Chen, Wen-xian; Zeng, Gan-ning; Wang, Jian-guo; Chen, Wu-lin","Position of substituent dependent dimensionality in Ln‒Cu heterometallic coordination polymers","CrystEngComm","2012","14","2","679","","10.1039/c1ce05864a","","","0.71073","MoKα","","0.0366","0.0297","","","0.0768","0.0807","","","","","","1.088","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207049","6.9007","0.0002","9.6327","0.0004","14.1655","0.0004","82.82","0.003","84.971","0.002","76.703","0.003","907.49","0.05","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H48 Cu N4 Nd2 O26 -","- C20 H28 Cu N4 Nd2 O26 -","- C20 H28 Cu N4 Nd2 O26 -","1","0.5","","Zhuang, Gui-lin; Chen, Wen-xian; Zeng, Gan-ning; Wang, Jian-guo; Chen, Wu-lin","Position of substituent dependent dimensionality in Ln‒Cu heterometallic coordination polymers","CrystEngComm","2012","14","2","679","","10.1039/c1ce05864a","","","0.71073","MoKα","","0.0262","0.0218","","","0.0556","0.0562","","","","","","1.025","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207050","9.6073","0.0011","13.1029","0.0015","15.144","0.0019","90","","100.668","0.004","90","","1873.4","0.4","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H21 Cu N9 O8 -","- C10 H21 Cu N9 O8 -","- C40 H84 Cu4 N36 O32 -","4","1","","Zhu, Xia; Feng, Yun-Fei; Li, Min; Li, Bao-Long; Zhang, Yong","A novel T4(1)6(1) water tape encapsulated in a (3,3)-connected 2D copper metal‒organic framework","CrystEngComm","2012","14","1","79","","10.1039/c1ce05866e","","","0.71075","MoKα","","0.0775","0.061","","","0.1462","0.1572","","","","","","1.085","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207051","13.3464","0.0006","13.8945","0.0004","14.565","0.0006","90","","114.553","0.005","90","","2456.73","0.19","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H26 N0 Ni2 O18 -","- C18 H10 Ni2 O18 -","- C72 H40 Ni8 O72 -","4","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Bo; Yang, Jin","A series of coordination polymers based on 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid and structurally related N-donor ligands: syntheses, structures and properties","CrystEngComm","2012","14","1","286","","10.1039/c1ce05877k","","","0.71073","MoKα","","0.0381","0.0306","","","0.0893","0.0909","","","","","","1.115","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207052","7.429","","24.143","","24.275","","90","","96.58","","90","","4325.24","","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H42 N8 Ni2 O12 -","- C46 H38 N8 Ni2 O12 -","- C184 H152 N32 Ni8 O48 -","4","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Bo; Yang, Jin","A series of coordination polymers based on 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid and structurally related N-donor ligands: syntheses, structures and properties","CrystEngComm","2012","14","1","286","","10.1039/c1ce05877k","","","0.71073","MoKα","","0.0523","0.0308","","","0.064","0.066","","","","","","0.953","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207053","12.6861","0.0008","13.3872","0.001","13.4602","0.0008","91.588","0.005","100.888","0.005","115.561","0.007","2009.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H36 Co2 N6 O12.5 -","- C39 H31 Co2 N6 O12.5 -","- C78 H62 Co4 N12 O25 -","2","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Bo; Yang, Jin","A series of coordination polymers based on 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid and structurally related N-donor ligands: syntheses, structures and properties","CrystEngComm","2012","14","1","286","","10.1039/c1ce05877k","","","0.71073","MoKα","","0.13","0.0462","","","0.0613","0.0663","","","","","","0.797","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207054","17.93","0.005","20.008","0.005","22.662","0.005","90","0.005","90","0.005","90","0.005","8130","4","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C36 H38 Co2 N9 O15 -","- C36 H28 Co2 N9 O15 -","- C288 H224 Co16 N72 O120 -","8","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Bo; Yang, Jin","A series of coordination polymers based on 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid and structurally related N-donor ligands: syntheses, structures and properties","CrystEngComm","2012","14","1","286","","10.1039/c1ce05877k","","","0.71069","MoKα","","0.1333","0.0629","","","0.1167","0.1411","","","","","","0.99","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207055","13.2776","0.0004","22.1202","0.0006","14.269","0.0004","90","","112.54","0.004","90","","3870.7","0.2","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C29 H40 N4 Ni2 O17 -","- C29 H10 N4 Ni2 O17 -","- C116 H40 N16 Ni8 O68 -","4","0.5","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Bo; Yang, Jin","A series of coordination polymers based on 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid and structurally related N-donor ligands: syntheses, structures and properties","CrystEngComm","2012","14","1","286","","10.1039/c1ce05877k","","","0.71073","MoKα","","0.0761","0.0607","","","0.177","0.1836","","","","","","1.148","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207056","9.536","0.005","10.243","0.005","15.501","0.005","89.398","0.005","76.99","0.005","88.19","0.005","1474.5","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H24 N4 O12 Zn3 -","- C27 H22 N4 O12 Zn3 -","- C54 H44 N8 O24 Zn6 -","2","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Bo; Yang, Jin","A series of coordination polymers based on 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid and structurally related N-donor ligands: syntheses, structures and properties","CrystEngComm","2012","14","1","286","","10.1039/c1ce05877k","","","0.71069","MoKα","","0.0866","0.0517","","","0.1014","0.1183","","","","","","1.018","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207057","6.6602","0.0003","16.2245","0.0007","18.373","0.0009","90","","90.984","0.004","90","","1985.06","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 N6 Ni O8 -","- C16 H15 N6 Ni O8 -","- C64 H60 N24 Ni4 O32 -","4","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Bo; Yang, Jin","A series of coordination polymers based on 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid and structurally related N-donor ligands: syntheses, structures and properties","CrystEngComm","2012","14","1","286","","10.1039/c1ce05877k","","","0.71073","MoKα","","0.0598","0.044","","","0.1133","0.1231","","","","","","1.034","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207058","13.088","0.005","16.376","0.005","18.092","0.005","90","0.005","101.446","0.005","90","0.005","3801","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H36 N12 O13 Zn2 -","- C32 H30 N12 O13 Zn2 -","- C128 H120 N48 O52 Zn8 -","4","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Bo; Yang, Jin","A series of coordination polymers based on 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid and structurally related N-donor ligands: syntheses, structures and properties","CrystEngComm","2012","14","1","286","","10.1039/c1ce05877k","","","0.71069","MoKα","","0.1319","0.0605","","","0.0866","0.1076","","","","","","0.985","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207059","9.731","0.005","10.12","0.005","10.597","0.005","67.258","0.005","62.83","0.005","75.866","0.005","853.3","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H18 Co N3 O8.5 -","- C13 H9 Co N3 O8.5 -","- C26 H18 Co2 N6 O17 -","2","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Bo; Yang, Jin","A series of coordination polymers based on 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid and structurally related N-donor ligands: syntheses, structures and properties","CrystEngComm","2012","14","1","286","","10.1039/c1ce05877k","","","0.71069","MoKα","","0.1162","0.0691","","","0.1566","0.1864","","","","","","1.025","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207060","21.092","0.005","15.132","0.005","12.318","0.005","90","0.005","100.208","0.005","90","0.005","3869","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H18 N6 O5.5 Zn -","- C17 H17 N6 O5.5 Zn -","- C136 H136 N48 O44 Zn8 -","8","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Bo; Yang, Jin","A series of coordination polymers based on 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid and structurally related N-donor ligands: syntheses, structures and properties","CrystEngComm","2012","14","1","286","","10.1039/c1ce05877k","","","0.71069","MoKα","","0.2149","0.0996","","","0.1502","0.1817","","","","","","1.144","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207061","10.2763","0.0006","20.067","0.001","35.369","0.002","90","","92.915","0.006","90","","7284.2","0.7","293","2","293","2","","","","","","","synthesis as described","7","C 1 2/c 1","-C 2yc","15","","","","- C52.35 H40 Cl0.65 Fe N0.35 O13 S32 -","- C52.348 H40 Cl0.652 Fe N0.348 O13 S32 -","- C209.392 H160 Cl2.608 Fe4 N1.392 O52 S128 -","4","0.5","","Zorina, Leokadiya V.; Khasanov, Salavat S.; Simonov, Sergey V.; Shibaeva, Rimma P.; Bulanchuk, Pavlo O.; Zverev, Vladimir N.; Canadell, Enric; Prokhorova, Tatiana G.; Yagubskii, Eduard B.","Structural phase transition in the β′′-(BEDT-TTF)4H3O[Fe(C2O4)3]·G crystals (where G is a guest solvent molecule)","CrystEngComm","2012","14","2","460","","10.1039/c1ce05878a","","","0.71073","MoKα","","0.054","0.039","","","0.0954","0.1008","","","","","","1.009","","","","has coordinates,has disorder","180401","2020-10-21","18:00:00",""
"7207062","10.2649","0.0003","11.1956","0.0003","35.1514","0.001","88.619","0.002","86.651","0.002","62.748","0.003","3585.1","0.2","150","1","150","1","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C52.35 H40 Cl0.65 Fe N0.35 O13 S32 -","- C52.35 H40 Cl0.65 Fe N0.35 O13 S32 -","- C104.7 H80 Cl1.3 Fe2 N0.7 O26 S64 -","2","1","","Zorina, Leokadiya V.; Khasanov, Salavat S.; Simonov, Sergey V.; Shibaeva, Rimma P.; Bulanchuk, Pavlo O.; Zverev, Vladimir N.; Canadell, Enric; Prokhorova, Tatiana G.; Yagubskii, Eduard B.","Structural phase transition in the β′′-(BEDT-TTF)4H3O[Fe(C2O4)3]·G crystals (where G is a guest solvent molecule)","CrystEngComm","2012","14","2","460","","10.1039/c1ce05878a","","","0.71073","MoKα","","0.0635","0.0519","","","0.1251","0.1305","","","","","","1.01","","","","has coordinates,has disorder","180401","2020-10-21","18:00:00",""
"7207063","19.8124","0.0006","6.9607","0.0001","16.8179","0.0004","90","","123.61","0.017","90","","1931.6","0.4","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C4 H16 In2 N2 S7 Sb2 -","- C4 H16 In2 N2 S7 Sb2 -","- C16 H64 In8 N8 S28 Sb8 -","4","0.5","","Wang, Kai-Yao; Feng, Mei-Ling; Kong, De-Nian; Liang, Shi-Jing; Wu, Ling; Huang, Xiao-Ying","Layered indium chalcogenidoantimonates [Me2NH2]2In2Sb2S7-xSex (x = 0, 2.20, 4.20, 7) with tunable band gaps and photocatalytic properties","CrystEngComm","2012","14","1","90","","10.1039/c1ce05879g","","","0.71073","MoKα","","0.0384","0.0338","","","0.0833","0.0875","","","","","","1.071","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207064","20.0561","0.0016","7.0325","0.0003","16.8343","0.0016","90","","123.485","0.012","90","","1980.3","0.4","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C4 H16 In2 N2 S4.8 Sb2 Se2.2 -","- C4 H16 In2 N2 S4.801 Sb2 Se2.199 -","- C16 H64 In8 N8 S19.204 Sb8 Se8.796 -","4","0.5","","Wang, Kai-Yao; Feng, Mei-Ling; Kong, De-Nian; Liang, Shi-Jing; Wu, Ling; Huang, Xiao-Ying","Layered indium chalcogenidoantimonates [Me2NH2]2In2Sb2S7-xSex (x = 0, 2.20, 4.20, 7) with tunable band gaps and photocatalytic properties","CrystEngComm","2012","14","1","90","","10.1039/c1ce05879g","","","0.71073","MoKα","","0.0586","0.0471","","","0.1212","0.1329","","","","","","1.057","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207065","20.2182","0.0019","7.1175","0.0003","16.974","0.003","90","","123.619","0.014","90","","2034.1","0.5","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C4 H16 In2 N2 S2.8 Sb2 Se4.2 -","- C4 H16 In2 N2 S2.8 Sb2 Se4.2 -","- C16 H64 In8 N8 S11.2 Sb8 Se16.8 -","4","0.5","","Wang, Kai-Yao; Feng, Mei-Ling; Kong, De-Nian; Liang, Shi-Jing; Wu, Ling; Huang, Xiao-Ying","Layered indium chalcogenidoantimonates [Me2NH2]2In2Sb2S7-xSex (x = 0, 2.20, 4.20, 7) with tunable band gaps and photocatalytic properties","CrystEngComm","2012","14","1","90","","10.1039/c1ce05879g","","","0.71073","MoKα","","0.0611","0.039","","","0.0596","0.0659","","","","","","1.052","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207066","20.3648","0.0011","7.1872","0.0002","17.1677","0.0015","90","","123.551","0.009","90","","2094.1","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C4 H16 In2 N2 Sb2 Se7 -","- C4 H16 In2 N2 Sb2 Se7 -","- C16 H64 In8 N8 Sb8 Se28 -","4","0.5","","Wang, Kai-Yao; Feng, Mei-Ling; Kong, De-Nian; Liang, Shi-Jing; Wu, Ling; Huang, Xiao-Ying","Layered indium chalcogenidoantimonates [Me2NH2]2In2Sb2S7-xSex (x = 0, 2.20, 4.20, 7) with tunable band gaps and photocatalytic properties","CrystEngComm","2012","14","1","90","","10.1039/c1ce05879g","","","0.71073","MoKα","","0.0393","0.0253","","","0.0407","0.0415","","","","","","1.011","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207067","8.3589","0.0009","10.6257","0.0012","11.7957","0.0013","80.019","0.01","72.499","0.01","73.133","0.01","951.94","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","4-Hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2H-1,2- benzothiazine-3-carboxamide 1,1-dioxide adipic acid","4-Hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2H-1,2-benzothiazine-3- carboxamide 1,1-dioxide adipic acid","","- C17 H18 N3 O6 S2 -","- C17 H18 N3 O6 S2 -","- C34 H36 N6 O12 S4 -","2","1","","Tumanov, Nikolay A.; Myz, Svetlana A.; Shakhtshneider, Tatyana P.; Boldyreva, Elena V.","Are meloxicam dimers really the structure-forming units in the ‘meloxicam‒carboxylic acid’ co-crystals family? Relation between crystal structures and dissolution behaviour","CrystEngComm","2012","14","1","305","","10.1039/c1ce05902e","","","0.71073","MoKα","","0.0966","0.044","","","0.0746","0.0846","","","","","","0.855","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207068","8.5979","0.0006","10.4551","0.0006","11.7515","0.0007","91.355","0.005","107.856","0.006","109.444","0.006","938.79","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","4-Hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2H-1,2- benzothiazine-3-carboxamide 1,1-dioxide terephtalic acid","4-Hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2H-1,2-benzothiazine-3- carboxamide 1,1-dioxide terephtalic acid","","- C18 H16 N3 O6 S2 -","- C18 H16 N3 O6 S2 -","- C36 H32 N6 O12 S4 -","2","1","","Tumanov, Nikolay A.; Myz, Svetlana A.; Shakhtshneider, Tatyana P.; Boldyreva, Elena V.","Are meloxicam dimers really the structure-forming units in the ‘meloxicam–carboxylic acid’ co-crystals family? Relation between crystal structures and dissolution behaviour","CrystEngComm","2012","14","1","305","","10.1039/c1ce05902e","","","0.71073","MoKα","","0.0896","0.0432","","","0.0855","0.0954","","","","","","0.876","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7207069","11.31","0.002","17.162","0.003","17.335","0.003","88.01","0.01","82.742","0.01","70.891","0.01","3153.8","1","120","2","120","2","","","","","","","","4","P -1","-P 1","2","MS 9-37 1,3,5-tri(C(CN)=NOH)benzene, 1,4-di(4-pyridyl)ethane","MS 9-37 1,3,5-tri(C(CN)=NOH)benzene, 1,4-di(4-pyridyl)ethane","","- C64.5 H54.75 N20.25 O6 -","- C64.5 H54.75 N20.25 O6 -","- C129 H109.5 N40.5 O12 -","2","1","","Aakeröy, Christer B.; Smith, Michelle M.; Desper, John","α,α′,α′′-Tris(hydroxyimino)-1,3,5-benzenetriacetonitrile: A three-fold symmetric, versatile and practical supramolecular building block","CrystEngComm","2012","14","1","71","","10.1039/c1ce05919j","","","0.71073","MoKα","","0.1118","0.0795","","","0.2227","0.2419","","","","","","1.404","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207070","9.8702","0.0015","13.7735","0.0019","8.146","0.0012","90","","123.368","0.005","90","","924.9","0.2","295","","295","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","from E:/powder/org3_fox/gsas/P21a.cif","","","- C10 H12 O3 -","- C10 H12 O3 -","- C40 H48 O12 -","4","1","","Chattopadhyay, Basab; Ghosh, Soumen; Mondal, Swastik; Mukherjee, Monika; Mukherjee, Alok K.","Structural study of three o-hydroxyacetophenone derivatives using X-ray powder diffraction: interplay of weak intermolecular interactions","CrystEngComm","2012","14","3","837","","10.1039/c1ce05920c","powder diffraction","x-ray","1.54056","CuKa1","","","","","","","","0.0978","","3.11","","","","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207071","12.207","0.006","16.487","0.008","7.495","0.004","90","","102.952","0.005","90","","1470","1.3","295","","295","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","from D:/swastik/orpow/ORG1/Newdata/ORG1INI_1.xtl","","","- C17 H18 O3 -","- C17 H18 O3 -","- C68 H72 O12 -","4","1","","Chattopadhyay, Basab; Ghosh, Soumen; Mondal, Swastik; Mukherjee, Monika; Mukherjee, Alok K.","Structural study of three o-hydroxyacetophenone derivatives using X-ray powder diffraction: interplay of weak intermolecular interactions","CrystEngComm","2012","14","3","837","","10.1039/c1ce05920c","powder diffraction","x-ray","1.54056","CuKa1","","","","","","","","0.12078","","2.58","","","","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207072","8.0139","0.0005","7.26162","0.00028","23.954","0.0018","90","","95.738","0.005","90","","1386.99","0.15","295","","295","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","from E:/CRYSTAL/Powder/TASKS/swastik_organic_final/org4/gsas/full_","","","- C14 H18 O5 -","- C14 H18 O5 -","- C56 H72 O20 -","4","1","","Chattopadhyay, Basab; Ghosh, Soumen; Mondal, Swastik; Mukherjee, Monika; Mukherjee, Alok K.","Structural study of three o-hydroxyacetophenone derivatives using X-ray powder diffraction: interplay of weak intermolecular interactions","CrystEngComm","2012","14","3","837","","10.1039/c1ce05920c","powder diffraction","x-ray","1.54056","CuKa1","","","","","","","","0.12078","","1.83","","","","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207073","8.7691","0.0012","15.978","0.002","19.948","0.003","90","","96.217","0.002","90","","2778.5","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Cu2 N2 O8 -","- C30 H24 Cu2 N2 O8 -","- C120 H96 Cu8 N8 O32 -","4","1","","Liu, Guang-Zhen; Li, Shi-Hui; Wang, Li-Ya","Five M(ii) coordination polymers assembled from various polynuclear units spaced by semirigid carboxyphenylpropionate and N-donor coligand","CrystEngComm","2012","14","3","880","","10.1039/c1ce05926b","","","0.71073","MoKα","","0.0681","0.0391","","","0.088","0.101","","","","","","1.017","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207074","9.2137","0.0014","28.298","0.003","20.62","0.002","90","","90","","90","","5376.2","1.1","296","2","296","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C28 H25 Co N3 O5 -","- C28 H17 Co N3 O5 -","- C224 H136 Co8 N24 O40 -","8","0.5","","Liu, Guang-Zhen; Li, Shi-Hui; Wang, Li-Ya","Five M(ii) coordination polymers assembled from various polynuclear units spaced by semirigid carboxyphenylpropionate and N-donor coligand","CrystEngComm","2012","14","3","880","","10.1039/c1ce05926b","","","0.71073","MoKα","","0.07","0.0621","","","0.1793","0.1842","","","","","","1.03","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207075","9.94","0.005","9.87","0.005","26.176","0.014","90","","90","","90","","2568","2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H11 N3 O4 Zn -","- C12 H11 N3 O4 Zn -","- C96 H88 N24 O32 Zn8 -","8","1","","Liu, Guang-Zhen; Li, Shi-Hui; Wang, Li-Ya","Five M(ii) coordination polymers assembled from various polynuclear units spaced by semirigid carboxyphenylpropionate and N-donor coligand","CrystEngComm","2012","14","3","880","","10.1039/c1ce05926b","","","0.71073","MoKα","","0.0908","0.0779","","","0.1889","0.1971","","","","","","1.157","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207076","17.156","0.002","11.1833","0.0014","21.237","0.003","90","","111.829","0.001","90","","3782.4","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H17 Cd N2 O4.5 -","- C20 H17 Cd N2 O4.5 -","- C160 H136 Cd8 N16 O36 -","8","1","","Liu, Guang-Zhen; Li, Shi-Hui; Wang, Li-Ya","Five M(ii) coordination polymers assembled from various polynuclear units spaced by semirigid carboxyphenylpropionate and N-donor coligand","CrystEngComm","2012","14","3","880","","10.1039/c1ce05926b","","","0.71073","MoKα","","0.0401","0.0268","","","0.061","0.0676","","","","","","1.031","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207077","19.2973","0.0012","15.0215","0.0009","19.6662","0.0012","90","","92.575","0.001","90","","5695","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H56 Cd3 N4 O14 -","- C56 H56 Cd3 N4 O14 -","- C224 H224 Cd12 N16 O56 -","4","1","","Liu, Guang-Zhen; Li, Shi-Hui; Wang, Li-Ya","Five M(ii) coordination polymers assembled from various polynuclear units spaced by semirigid carboxyphenylpropionate and N-donor coligand","CrystEngComm","2012","14","3","880","","10.1039/c1ce05926b","","","0.71073","MoKα","","0.049","0.0338","","","0.0826","0.0885","","","","","","1.056","","","","has coordinates,has disorder","180401","2020-10-21","18:00:00",""
"7207078","7.664","0.002","7.924","0.002","19.461","0.005","85.113","0.003","88.303","0.004","88.893","0.004","1176.9","0.5","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H20 O12 Zn -","- C24 H20 O12 Zn -","- C48 H40 O24 Zn2 -","2","1","","Qu, Ling-Ling; Zhu, You-Long; Zhang, Jun; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng","Structural diversity and properties of coordination polymers built from a semi-rigid tetradentenate carboxylic acid","CrystEngComm","2012","14","3","824","","10.1039/c1ce05931a","","","0.71073","MoKα","","0.0703","0.0526","","","0.1201","0.1242","","","","","","1.077","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207079","8.718","0.003","10.699","0.004","21.624","0.008","93.194","0.005","100.816","0.005","112.086","0.005","1818","1.1","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H64 Co2 O37 -","- C72 H64 Co2 O37 -","- C72 H64 Co2 O37 -","1","0.5","","Qu, Ling-Ling; Zhu, You-Long; Zhang, Jun; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng","Structural diversity and properties of coordination polymers built from a semi-rigid tetradentenate carboxylic acid","CrystEngComm","2012","14","3","824","","10.1039/c1ce05931a","","","0.71073","MoKα","","0.0841","0.0609","","","0.1343","0.1402","","","","","","1.047","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207080","9.862","0.006","10.381","0.006","18.348","0.011","100.222","0.008","104.613","0.007","91.281","0.008","1784.4","1.8","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H28 Cd3 O20 -","- C48 H28 Cd3 O20 -","- C48 H28 Cd3 O20 -","1","0.5","","Qu, Ling-Ling; Zhu, You-Long; Zhang, Jun; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng","Structural diversity and properties of coordination polymers built from a semi-rigid tetradentenate carboxylic acid","CrystEngComm","2012","14","3","824","","10.1039/c1ce05931a","","","0.71073","MoKα","","0.0809","0.0502","","","0.1124","0.1218","","","","","","1.032","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207081","9.845","0.002","23.329","0.005","22.778","0.005","90","","101.54","0.03","90","","5126","2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H52 Mn3 N4 O12 -","- C56 H52 Mn3 N4 O12 -","- C224 H208 Mn12 N16 O48 -","4","1","","Jin, Rui-Fang; Yang, Shi-Yao; Li, Hui-Min; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of ionic radius on the assemblies of first row transition metal‒5-tert-butylisophthalates‒(2,2′-bipyridine or phenanthroline) coordination compounds","CrystEngComm","2012","14","4","1301","","10.1039/c1ce05959a","","","0.71073","MoKα","","0.089","0.0467","","","0.1121","0.1645","","","","","","1.099","","","","has coordinates,has disorder","180401","2020-10-21","18:00:00",""
"7207082","28.7774","0.0018","9.6971","0.0006","18.9936","0.0012","90","","125.855","0.001","90","","4295.9","0.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H22 Mn N2 O5 -","- C24 H22 Mn N2 O5 -","- C192 H176 Mn8 N16 O40 -","8","1","","Jin, Rui-Fang; Yang, Shi-Yao; Li, Hui-Min; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of ionic radius on the assemblies of first row transition metal‒5-tert-butylisophthalates‒(2,2′-bipyridine or phenanthroline) coordination compounds","CrystEngComm","2012","14","4","1301","","10.1039/c1ce05959a","","","0.71073","MoKα","","0.0862","0.0642","","","0.1376","0.1493","","","","","","1.027","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207083","11.5778","0.0007","12.033","0.0007","15.859","0.0009","90.307","0.001","94.863","0.001","108.68","0.001","2084.2","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H42 Mn N4 O8 -","- C48 H42 Mn N4 O8 -","- C96 H84 Mn2 N8 O16 -","2","1","","Jin, Rui-Fang; Yang, Shi-Yao; Li, Hui-Min; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of ionic radius on the assemblies of first row transition metal‒5-tert-butylisophthalates‒(2,2′-bipyridine or phenanthroline) coordination compounds","CrystEngComm","2012","14","4","1301","","10.1039/c1ce05959a","","","0.71073","MoKα","","0.0804","0.0592","","","0.1396","0.1511","","","","","","1.026","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7207084","14.406","0.0008","18.0665","0.001","20.624","0.0012","90","","90","","90","","5367.7","0.5","173","2","173","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C60 H57 Fe N6 O11.5 -","- C60 H57 Fe N6 O11.5 -","- C240 H228 Fe4 N24 O46 -","4","0.5","","Jin, Rui-Fang; Yang, Shi-Yao; Li, Hui-Min; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of ionic radius on the assemblies of first row transition metal‒5-tert-butylisophthalates‒(2,2′-bipyridine or phenanthroline) coordination compounds","CrystEngComm","2012","14","4","1301","","10.1039/c1ce05959a","","","0.71073","MoKα","","0.0669","0.0603","","","0.1556","0.1598","","","","","","1.066","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207085","9.2581","0.0006","13.0985","0.0009","18.1773","0.0012","97.65","0.001","97.648","0.001","107.288","0.001","2051","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H88 Co4 N8 O20 -","- C88 H88 Co4 N8 O20 -","- C88 H88 Co4 N8 O20 -","1","0.5","","Jin, Rui-Fang; Yang, Shi-Yao; Li, Hui-Min; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of ionic radius on the assemblies of first row transition metal‒5-tert-butylisophthalates‒(2,2′-bipyridine or phenanthroline) coordination compounds","CrystEngComm","2012","14","4","1301","","10.1039/c1ce05959a","","","0.71073","MoKα","","0.0928","0.0685","","","0.1641","0.1836","","","","","","1.023","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7207086","31.7379","0.0008","9.5391","0.0002","28.4999","0.0007","90","","116.186","0.0008","90","","7742.8","0.3","297","2","297","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C78 H82 Co4 N6 O21 -","- C78 H82 Co4 N6 O21 -","- C312 H328 Co16 N24 O84 -","4","0.5","","Jin, Rui-Fang; Yang, Shi-Yao; Li, Hui-Min; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of ionic radius on the assemblies of first row transition metal‒5-tert-butylisophthalates‒(2,2′-bipyridine or phenanthroline) coordination compounds","CrystEngComm","2012","14","4","1301","","10.1039/c1ce05959a","","","0.71073","MoKα","","0.0453","0.0327","","","0.0789","0.0852","","","","","","1.038","","","","has coordinates,has disorder","180401","2020-10-21","18:00:00",""
"7207087","14.3721","0.0007","12.7909","0.0006","12.599","0.0006","90","","97.234","0.001","90","","2297.66","0.19","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 Co N2 O5 -","- C24 H22 Co N2 O5 -","- C96 H88 Co4 N8 O20 -","4","1","","Jin, Rui-Fang; Yang, Shi-Yao; Li, Hui-Min; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of ionic radius on the assemblies of first row transition metal‒5-tert-butylisophthalates‒(2,2′-bipyridine or phenanthroline) coordination compounds","CrystEngComm","2012","14","4","1301","","10.1039/c1ce05959a","","","0.71073","MoKα","","0.0689","0.0516","","","0.1229","0.1309","","","","","","1.06","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207088","32.932","0.007","9.4843","0.0019","27.667","0.006","90","","116.54","0.03","90","","7731","3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C84 H75 Co4 N6 O17.5 -","- C84 H75 Co4 N6 O17.5 -","- C336 H300 Co16 N24 O70 -","4","0.5","","Jin, Rui-Fang; Yang, Shi-Yao; Li, Hui-Min; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of ionic radius on the assemblies of first row transition metal‒5-tert-butylisophthalates‒(2,2′-bipyridine or phenanthroline) coordination compounds","CrystEngComm","2012","14","4","1301","","10.1039/c1ce05959a","","","0.71073","MoKα","","0.1328","0.0651","","","0.1645","0.2255","","","","","","1.045","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207089","9.2982","0.0005","13.1243","0.0007","18.0169","0.001","97.222","0.001","97.784","0.001","107.232","0.001","2048.41","0.19","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H88 N8 Ni4 O20 -","- C88 H88 N8 Ni4 O20 -","- C88 H88 N8 Ni4 O20 -","1","0.5","","Jin, Rui-Fang; Yang, Shi-Yao; Li, Hui-Min; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of ionic radius on the assemblies of first row transition metal‒5-tert-butylisophthalates‒(2,2′-bipyridine or phenanthroline) coordination compounds","CrystEngComm","2012","14","4","1301","","10.1039/c1ce05959a","","","0.71073","MoKα","","0.0769","0.0599","","","0.146","0.1568","","","","","","1.102","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7207090","15.1908","0.0011","10.2298","0.0008","15.6092","0.0012","90","","109.949","0.001","90","","2280.1","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N2 Ni O5 -","- C24 H22 N2 Ni O5 -","- C96 H88 N8 Ni4 O20 -","4","1","","Jin, Rui-Fang; Yang, Shi-Yao; Li, Hui-Min; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of ionic radius on the assemblies of first row transition metal‒5-tert-butylisophthalates‒(2,2′-bipyridine or phenanthroline) coordination compounds","CrystEngComm","2012","14","4","1301","","10.1039/c1ce05959a","","","0.71073","MoKα","","0.097","0.0637","","","0.1428","0.1583","","","","","","1.015","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207091","14.7048","0.0006","13.1186","0.0005","26.8081","0.0008","90","","131.266","0.001","90","","3887.2","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H40 Cu2 N4 O8 -","- C44 H40 Cu2 N4 O8 -","- C176 H160 Cu8 N16 O32 -","4","1","","Jin, Rui-Fang; Yang, Shi-Yao; Li, Hui-Min; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of ionic radius on the assemblies of first row transition metal‒5-tert-butylisophthalates‒(2,2′-bipyridine or phenanthroline) coordination compounds","CrystEngComm","2012","14","4","1301","","10.1039/c1ce05959a","","","0.71073","MoKα","","0.0821","0.0701","","","0.1598","0.1675","","","","","","1.107","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207092","15.0898","0.001","12.3402","0.0008","12.2249","0.0008","90","","107.505","0.001","90","","2171","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 Cu N2 O5 -","- C24 H22 Cu N2 O5 -","- C96 H88 Cu4 N8 O20 -","4","1","","Jin, Rui-Fang; Yang, Shi-Yao; Li, Hui-Min; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of ionic radius on the assemblies of first row transition metal‒5-tert-butylisophthalates‒(2,2′-bipyridine or phenanthroline) coordination compounds","CrystEngComm","2012","14","4","1301","","10.1039/c1ce05959a","","","0.71073","MoKα","","0.0692","0.0533","","","0.1207","0.128","","","","","","1.03","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207093","10.036","0.002","12.322","0.003","25.767","0.005","90","","93.06","0.03","90","","3181.9","1.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H34 Cu N2 O8 -","- C36 H34 Cu N2 O8 -","- C144 H136 Cu4 N8 O32 -","4","1","","Jin, Rui-Fang; Yang, Shi-Yao; Li, Hui-Min; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of ionic radius on the assemblies of first row transition metal‒5-tert-butylisophthalates‒(2,2′-bipyridine or phenanthroline) coordination compounds","CrystEngComm","2012","14","4","1301","","10.1039/c1ce05959a","","","0.71073","MoKα","","0.0542","0.0379","","","0.1168","0.1574","","","","","","1.093","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207094","10.988","0.002","14.253","0.003","11.358","0.002","90","","108.93","0.03","90","","1682.6","0.6","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H34 Cu N2 O8 -","- C36 H34 Cu N2 O8 -","- C72 H68 Cu2 N4 O16 -","2","1","","Jin, Rui-Fang; Yang, Shi-Yao; Li, Hui-Min; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of ionic radius on the assemblies of first row transition metal‒5-tert-butylisophthalates‒(2,2′-bipyridine or phenanthroline) coordination compounds","CrystEngComm","2012","14","4","1301","","10.1039/c1ce05959a","","","0.71073","MoKα","","0.0593","0.043","","","0.0919","0.1102","","","","","","1.006","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207095","9.3469","0.0005","13.1507","0.0007","18.4605","0.0009","98.535","0.001","97.856","0.001","107.013","0.001","2106.52","0.19","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H88 N8 O20 Zn4 -","- C88 H88 N8 O20 Zn4 -","- C88 H88 N8 O20 Zn4 -","1","0.5","","Jin, Rui-Fang; Yang, Shi-Yao; Li, Hui-Min; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of ionic radius on the assemblies of first row transition metal‒5-tert-butylisophthalates‒(2,2′-bipyridine or phenanthroline) coordination compounds","CrystEngComm","2012","14","4","1301","","10.1039/c1ce05959a","","","0.71073","MoKα","","0.0876","0.0613","","","0.1518","0.1693","","","","","","1.002","","","","has coordinates,has disorder","180401","2020-10-21","18:00:00",""
"7207096","9.0401","0.0004","10.1153","0.0005","13.3557","0.0005","105.957","0.0015","93.6439","0.001","95.9421","0.0015","1162.5","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 N2 O6 Zn -","- C24 H24 N2 O6 Zn -","- C48 H48 N4 O12 Zn2 -","2","1","","Jin, Rui-Fang; Yang, Shi-Yao; Li, Hui-Min; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of ionic radius on the assemblies of first row transition metal‒5-tert-butylisophthalates‒(2,2′-bipyridine or phenanthroline) coordination compounds","CrystEngComm","2012","14","4","1301","","10.1039/c1ce05959a","","","0.71073","MoKα","","0.0666","0.0394","","","0.1016","0.1432","","","","","","1.041","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207097","10.991","0.002","14.254","0.003","11.361","0.002","90","","108.93","0.03","90","","1683.6","0.6","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H34 N2 O8 Zn -","- C36 H34 N2 O8 Zn -","- C72 H68 N4 O16 Zn2 -","2","1","","Jin, Rui-Fang; Yang, Shi-Yao; Li, Hui-Min; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of ionic radius on the assemblies of first row transition metal‒5-tert-butylisophthalates‒(2,2′-bipyridine or phenanthroline) coordination compounds","CrystEngComm","2012","14","4","1301","","10.1039/c1ce05959a","","","0.71073","MoKα","","0.0632","0.0463","","","0.1043","0.1225","","","","","","1.013","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207098","22.638","0.005","9.995","0.002","19.913","0.004","90","","96.34","0.03","90","","4478.1","1.6","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H46 N4 O11 Zn2 -","- C48 H46 N4 O11 Zn2 -","- C192 H184 N16 O44 Zn8 -","4","0.5","","Jin, Rui-Fang; Yang, Shi-Yao; Li, Hui-Min; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of ionic radius on the assemblies of first row transition metal‒5-tert-butylisophthalates‒(2,2′-bipyridine or phenanthroline) coordination compounds","CrystEngComm","2012","14","4","1301","","10.1039/c1ce05959a","","","0.71073","MoKα","","0.1138","0.0719","","","0.1746","0.2172","","","","","","1.15","","","","has coordinates","180401","2020-10-21","18:00:00",""
"7207099","15.8078","0.0004","15.8078","0.0004","9.2047","0.0003","90","","90","","120","","1991.97","0.1","293","2","293","2","","","","","","","","3","R 3 m :H","R 3 -2""","160","","","","- C13.5 H21 O3 -","- C13.5 H22.5 O3 -","- C81 H135 O18 -","6","0.333333","","Cîrcu, Monica; Paşcanu, Vlad; Soran, Albert; Braun, Beatrice; Terec, Anamaria; Socaci, Crina; Grosu, Ion","Solid state supramolecular assemblies of triol podands through H-bonds","CrystEngComm","2012","14","2","632","","10.1039/c1ce05971h","","","0.71069","MoKα","","0.0385","0.0379","","","0.0967","0.0973","","","","","","1.137","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207100","13.076","0.006","6.162","0.003","23.616","0.012","90","","102.183","0.009","90","","1860","1.6","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 N O3 -","- C21 H21 N O3 -","- C84 H84 N4 O12 -","4","1","","Cîrcu, Monica; Paşcanu, Vlad; Soran, Albert; Braun, Beatrice; Terec, Anamaria; Socaci, Crina; Grosu, Ion","Solid state supramolecular assemblies of triol podands through H-bonds","CrystEngComm","2012","14","2","632","","10.1039/c1ce05971h","","","0.71073","MoKα","","0.1076","0.0752","","","0.1661","0.1801","","","","","","1.108","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207101","6.9496","0.0007","17.9193","0.0019","22.411","0.002","90","","90.75","0.002","90","","2790.6","0.5","297","2","297","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H42 O9 -","- C27 H42 O9 -","- C108 H168 O36 -","4","1","","Cîrcu, Monica; Paşcanu, Vlad; Soran, Albert; Braun, Beatrice; Terec, Anamaria; Socaci, Crina; Grosu, Ion","Solid state supramolecular assemblies of triol podands through H-bonds","CrystEngComm","2012","14","2","632","","10.1039/c1ce05971h","","","0.71073","MoKα","","0.142","0.1097","","","0.2311","0.2485","","","","","","1.179","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207102","13.422","0.003","9.1054","0.0016","16.551","0.006","90","","119.1","0.02","90","","1767.4","0.9","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 O3 S3 -","- C18 H20 O3 S3 -","- C72 H80 O12 S12 -","4","1","","Cîrcu, Monica; Paşcanu, Vlad; Soran, Albert; Braun, Beatrice; Terec, Anamaria; Socaci, Crina; Grosu, Ion","Solid state supramolecular assemblies of triol podands through H-bonds","CrystEngComm","2012","14","2","632","","10.1039/c1ce05971h","","","0.71073","MoKα","","0.0374","0.033","","","0.0815","0.0832","","","","","","1.107","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207103","10.5423","0.0017","10.5423","0.0017","20.448","0.004","90","","90","","120","","1968.1","0.6","298","2","298","2","","","","","","","","5","P 65","P 65","170","","","","- C13 H11 Cd N O6 -","- C13 H11 Cd N O6 -","- C78 H66 Cd6 N6 O36 -","6","1","","Tan, Xin; Zhan, Jixian; Zhang, Jianyong; Jiang, Long; Pan, Mei; Su, Cheng-Yong","Axially chiral metal‒organic frameworks produced from spontaneous resolution with an achiral pyridyl dicarboxylate ligand","CrystEngComm","2012","14","1","63","","10.1039/c1ce05995e","","","0.71073","MoKα","","0.026","0.0242","","","0.0507","0.0516","","","","","","1.056","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207104","10.5544","0.0002","10.5544","0.0002","20.4446","0.0006","90","","90","","120","","1972.32","0.08","298","2","298","2","","","","","","","","5","P 61","P 61","169","","","","- C13 H11 Cd N O6 -","- C13 H11 Cd N O6 -","- C78 H66 Cd6 N6 O36 -","6","1","","Tan, Xin; Zhan, Jixian; Zhang, Jianyong; Jiang, Long; Pan, Mei; Su, Cheng-Yong","Axially chiral metal‒organic frameworks produced from spontaneous resolution with an achiral pyridyl dicarboxylate ligand","CrystEngComm","2012","14","1","63","","10.1039/c1ce05995e","","","0.71073","MoKα","","0.0207","0.0177","","","0.0337","0.0346","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207105","10.2531","0.0002","10.2531","0.0002","20.2456","0.0006","90","","90","","120","","1843.2","0.07","150","2","150","2","","","","","","","","5","P 65","P 65","170","","","","- C13 H11 N O6 Zn -","- C13 H11 N O6 Zn -","- C78 H66 N6 O36 Zn6 -","6","1","","Tan, Xin; Zhan, Jixian; Zhang, Jianyong; Jiang, Long; Pan, Mei; Su, Cheng-Yong","Axially chiral metal‒organic frameworks produced from spontaneous resolution with an achiral pyridyl dicarboxylate ligand","CrystEngComm","2012","14","1","63","","10.1039/c1ce05995e","","","1.54178","CuKα","","0.024","0.0235","","","0.0595","0.0597","","","","","","1.076","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207106","10.2723","0.0004","10.2723","0.0004","20.4692","0.0009","90","","90","","120","","1870.54","0.13","298","2","298","2","","","","","","","","5","P 61","P 61","169","","","","- C13 H11 N O6 Zn -","- C13 H11 N O6 Zn -","- C78 H66 N6 O36 Zn6 -","6","1","","Tan, Xin; Zhan, Jixian; Zhang, Jianyong; Jiang, Long; Pan, Mei; Su, Cheng-Yong","Axially chiral metal‒organic frameworks produced from spontaneous resolution with an achiral pyridyl dicarboxylate ligand","CrystEngComm","2012","14","1","63","","10.1039/c1ce05995e","","","0.71073","MoKα","","0.0323","0.0262","","","0.0539","0.0635","","","","","","1.123","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207107","13.359","0.003","11.451","0.003","9.571","0.002","90","","117.517","0.004","90","","1298.5","0.5","297","2","297","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H11 N O S -","- C16 H11 N O S -","- C64 H44 N4 O4 S4 -","4","1","","Shivakumar, Kota; Vidyasagar, Adiyala; Naidu, Andra; Gonnade, Rajesh G.; Sureshan, Kana M.","Strength from weakness: The role of CH…N hydrogen bond in the formation of wave-like topology in crystals of aza-heterocycles","CrystEngComm","2012","14","2","519","","10.1039/c1ce05997a","","","0.71073","MoKα","","0.0362","0.0346","","","0.0823","0.0835","","","","","","1.134","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207108","4.738","0.002","9.523","0.005","14.954","0.007","91.602","0.009","96.669","0.009","94.446","0.009","667.7","0.5","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C34 H26 N2 O4 -","2","1","","Shivakumar, Kota; Vidyasagar, Adiyala; Naidu, Andra; Gonnade, Rajesh G.; Sureshan, Kana M.","Strength from weakness: The role of CH…N hydrogen bond in the formation of wave-like topology in crystals of aza-heterocycles","CrystEngComm","2012","14","2","519","","10.1039/c1ce05997a","","","0.71073","MoKα","","0.0797","0.0571","","","0.123","0.1334","","","","","","1.11","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207109","3.9434","0.0011","21.648","0.006","14.748","0.004","90","","96.449","0.005","90","","1251","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 N2 S -","- C16 H10 N2 S -","- C64 H40 N8 S4 -","4","1","","Shivakumar, Kota; Vidyasagar, Adiyala; Naidu, Andra; Gonnade, Rajesh G.; Sureshan, Kana M.","Strength from weakness: The role of CH…N hydrogen bond in the formation of wave-like topology in crystals of aza-heterocycles","CrystEngComm","2012","14","2","519","","10.1039/c1ce05997a","","","0.71073","MoKα","","0.0724","0.0615","","","0.1191","0.1233","","","","","","1.185","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207110","3.989","0.002","21.214","0.011","11.076","0.006","90","","97.855","0.009","90","","928.5","0.8","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 N2 O -","- C11 H8 N2 O -","- C44 H32 N8 O4 -","4","1","","Shivakumar, Kota; Vidyasagar, Adiyala; Naidu, Andra; Gonnade, Rajesh G.; Sureshan, Kana M.","Strength from weakness: The role of CH…N hydrogen bond in the formation of wave-like topology in crystals of aza-heterocycles","CrystEngComm","2012","14","2","519","","10.1039/c1ce05997a","","","0.71073","MoKα","","0.1519","0.1078","","","0.2525","0.2789","","","","","","1.071","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207111","7.353","0.004","13.472","0.008","9.327","0.006","90","","108.714","0.01","90","","875.1","0.9","297","2","297","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 H5 N5 -","- C10 H5 N5 -","- C40 H20 N20 -","4","1","","Shivakumar, Kota; Vidyasagar, Adiyala; Naidu, Andra; Gonnade, Rajesh G.; Sureshan, Kana M.","Strength from weakness: The role of CH…N hydrogen bond in the formation of wave-like topology in crystals of aza-heterocycles","CrystEngComm","2012","14","2","519","","10.1039/c1ce05997a","","","0.71073","MoKα","","0.124","0.0763","","","0.1505","0.1688","","","","","","1.117","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207112","16.708","0.002","15.732","0.002","14.436","0.001","90","","107.79","0.01","90","","3613.1","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-(2-(4,6-bis(methylthio)-1H-pyrazolo[3,4-d]pyrimidin-1-yl) ethyl)phthalazin-1(2H)-one","","- C17 H16 N6 O S2 -","- C17 H16 N6 O S2 -","- C136 H128 N48 O8 S16 -","8","1","","Avasthi, Kamlakar; Kumar, Amar; Aswal, Sangeeta; Kant, Ruchir; Raghunandan, Resmi; Maulik, Prakas R.; Khanna, Ranjana S.; Ravikumar, Krishnan","Role of arene interactions and substituent effects in conformational (syn/anti) control of 1,2-diarylethanes","CrystEngComm","2012","14","2","383","","10.1039/c1ce06001e","","","0.71073","MoKα","","0.1054","0.0465","","","0.1068","0.1355","","","","","","1.021","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207113","9.161","0.001","14.063","0.001","13.109","0.001","90","","102.12","0.01","90","","1651.2","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-(2-(4-chloro-6-(methylthio)-1H-pyrazolo [3,4-d]pyrimidin-1-yl)ethyl)phthalazin-1(2H)-one","","- C16 H13 Cl N6 O S -","- C16 H13 Cl N6 O S -","- C64 H52 Cl4 N24 O4 S4 -","4","1","","Avasthi, Kamlakar; Kumar, Amar; Aswal, Sangeeta; Kant, Ruchir; Raghunandan, Resmi; Maulik, Prakas R.; Khanna, Ranjana S.; Ravikumar, Krishnan","Role of arene interactions and substituent effects in conformational (syn/anti) control of 1,2-diarylethanes","CrystEngComm","2012","14","2","383","","10.1039/c1ce06001e","","","0.71073","MoKα","","0.0782","0.0461","","","0.1075","0.1225","","","","","","1.028","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207114","9.249","0.001","17.58","0.002","11.55","0.002","90","","105.11","0.01","90","","1813.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","none","2-(2-(4-methoxy-6-(methylsulfonyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl) phthalazin-1(2H)-one","","- C17 H16 N6 O4 S -","- C17 H16 N6 O4 S -","- C68 H64 N24 O16 S4 -","4","1","","Avasthi, Kamlakar; Kumar, Amar; Aswal, Sangeeta; Kant, Ruchir; Raghunandan, Resmi; Maulik, Prakas R.; Khanna, Ranjana S.; Ravikumar, Krishnan","Role of arene interactions and substituent effects in conformational (syn/anti) control of 1,2-diarylethanes","CrystEngComm","2012","14","2","383","","10.1039/c1ce06001e","","","0.71073","MoKα","","0.1033","0.0486","","","0.1113","0.1354","","","","","","1.056","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207115","18.2274","0.0005","15.2903","0.0004","13.9319","0.0005","90","","108.746","0.003","90","","3676.9","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","none","3-(2-(4-methoxy-6-(methylsulfonyl)- 1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl) quinazolin-4(3H)-one","","- C17 H16 N6 O4 S -","- C17 H16 N6 O4 S -","- C136 H128 N48 O32 S8 -","8","1","","Avasthi, Kamlakar; Kumar, Amar; Aswal, Sangeeta; Kant, Ruchir; Raghunandan, Resmi; Maulik, Prakas R.; Khanna, Ranjana S.; Ravikumar, Krishnan","Role of arene interactions and substituent effects in conformational (syn/anti) control of 1,2-diarylethanes","CrystEngComm","2012","14","2","383","","10.1039/c1ce06001e","","","0.71073","MoKα","","0.0663","0.0403","","","0.1075","0.1144","","","","","","1.005","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207116","13.6729","0.0008","9.0043","0.0006","13.8349","0.0008","90","","90.388","0.005","90","","1703.24","0.18","294","2","273","2","","","","","","","","6","C 1 c 1","C -2yc","9","none","2-(2-(4-chloro-6-(methylsulfonyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl) phthalazin-1(2H)-one","","- C16 H13 Cl N6 O3 S -","- C16 H13 Cl N6 O3 S -","- C64 H52 Cl4 N24 O12 S4 -","4","1","","Avasthi, Kamlakar; Kumar, Amar; Aswal, Sangeeta; Kant, Ruchir; Raghunandan, Resmi; Maulik, Prakas R.; Khanna, Ranjana S.; Ravikumar, Krishnan","Role of arene interactions and substituent effects in conformational (syn/anti) control of 1,2-diarylethanes","CrystEngComm","2012","14","2","383","","10.1039/c1ce06001e","","","0.71073","MoKα","","0.0319","0.0315","","","0.0812","0.0816","","","","","","1.076","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207117","8.137","0.0016","14.468","0.003","10.377","0.002","90","","90","","90","","1221.6","0.4","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C9 H7 Cl2 N O5 Pb -","- C9 H7 Cl2 N O5 Pb -","- C36 H28 Cl8 N4 O20 Pb4 -","4","0.5","","Liu, Yi; Wei Tan, Melvin Jun; Wei, Fengxia; Tian, Yufeng; Wu, Tom; Kloc, Christian; Huo, Fengwei; Yan, Qingyu; Hng, Huey Hoon; Ma, Jan; Zhang, Qichun","In situ formation of new organic ligands to construct two novel self-charge-transfer Pb(ii)-based frameworks","CrystEngComm","2012","14","1","75","","10.1039/c1ce06006f","","","0.71073","MoKα","","0.0467","0.0278","","","0.0657","0.073","","","","","","0.984","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7207118","13.55","0.003","8.96","0.0018","13.82","0.003","90","","99.16","0.03","90","","1656.5","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 N2 O5 Pb S -","- C16 H12 N2 O5 Pb S -","- C64 H48 N8 O20 Pb4 S4 -","4","1","","Liu, Yi; Wei Tan, Melvin Jun; Wei, Fengxia; Tian, Yufeng; Wu, Tom; Kloc, Christian; Huo, Fengwei; Yan, Qingyu; Hng, Huey Hoon; Ma, Jan; Zhang, Qichun","In situ formation of new organic ligands to construct two novel self-charge-transfer Pb(ii)-based frameworks","CrystEngComm","2012","14","1","75","","10.1039/c1ce06006f","","","0.71073","MoKα","","0.0506","0.0323","","","0.0873","0.129","","","","","","1.04","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7207119","7.9092","0.0005","11.2366","0.0006","19.2416","0.001","90","","95.413","0.006","90","","1702.42","0.17","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 Cu N2 O4 S2 -","- C18 H12 Cu N2 O4 S2 -","- C72 H48 Cu4 N8 O16 S8 -","4","1","","Liu, Chun-Sen; Guo, Wei; Carolina Sañudo, E.; Chen, Min; Hu, Min; Du, Miao; Fang, Shao-Ming","In situ syntheses, crystal structures and magnetic properties of CuII and MnII coordination assemblies based on a novel heteroalicyclic dicarboxylate tecton and N-donor co-ligands","CrystEngComm","2012","14","1","160","","10.1039/c1ce06015e","","","0.71073","MoKα","","0.0547","0.0303","","","0.0532","0.0553","","","","","","0.994","","","","has coordinates,has disorder","180402","2020-10-21","18:00:00",""
"7207120","15.308","0.003","16.129","0.002","7.999","0.002","90","","110.94","0.03","90","","1844.5","0.7","294","2","294","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C16 H14 Cu N2 O5 S2 -","- C16 H14 Cu N2 O5 S2 -","- C64 H56 Cu4 N8 O20 S8 -","4","1","","Liu, Chun-Sen; Guo, Wei; Carolina Sañudo, E.; Chen, Min; Hu, Min; Du, Miao; Fang, Shao-Ming","In situ syntheses, crystal structures and magnetic properties of CuII and MnII coordination assemblies based on a novel heteroalicyclic dicarboxylate tecton and N-donor co-ligands","CrystEngComm","2012","14","1","160","","10.1039/c1ce06015e","","","0.71073","MoKα","","0.0845","0.0585","","","0.1231","0.1292","","","","","","1.023","","","","has coordinates,has disorder","180402","2020-10-21","18:00:00",""
"7207121","7.7845","0.0005","12.2006","0.0006","12.2707","0.0006","109.26","0.004","94.393","0.005","99.606","0.004","1073.86","0.11","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H18 Cu2 N O10 S4 -","- C15 H18 Cu2 N O10 S4 -","- C30 H36 Cu4 N2 O20 S8 -","2","1","","Liu, Chun-Sen; Guo, Wei; Carolina Sañudo, E.; Chen, Min; Hu, Min; Du, Miao; Fang, Shao-Ming","In situ syntheses, crystal structures and magnetic properties of CuII and MnII coordination assemblies based on a novel heteroalicyclic dicarboxylate tecton and N-donor co-ligands","CrystEngComm","2012","14","1","160","","10.1039/c1ce06015e","","","0.71073","MoKα","","0.0532","0.0376","","","0.1112","0.1153","","","","","","0.996","","","","has coordinates,has disorder","180402","2020-10-21","18:00:00",""
"7207122","13.9737","0.0007","13.9846","0.0006","16.1404","0.0008","112.092","0.004","98.552","0.004","104.588","0.004","2722.1","0.3","294","2","294","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H40 Cl2 Mn2 N8 O14 S2 -","- C54 H40 Cl2 Mn2 N8 O14 S2 -","- C108 H80 Cl4 Mn4 N16 O28 S4 -","2","1","","Liu, Chun-Sen; Guo, Wei; Carolina Sañudo, E.; Chen, Min; Hu, Min; Du, Miao; Fang, Shao-Ming","In situ syntheses, crystal structures and magnetic properties of CuII and MnII coordination assemblies based on a novel heteroalicyclic dicarboxylate tecton and N-donor co-ligands","CrystEngComm","2012","14","1","160","","10.1039/c1ce06015e","","","0.71073","MoKα","","0.1294","0.0511","","","0.0896","0.0966","","","","","","0.981","","","","has coordinates,has disorder","180402","2020-10-21","18:00:00",""
"7207123","14.4203","0.0008","14.8169","0.0007","15.5464","0.0007","89.536","0.004","62.541","0.005","65.838","0.005","2621.5","0.3","294","2","294","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H40 Cl2 Mn2 N9 O12 S2 -","- C51 H40 Cl2 Mn2 N9 O12 S2 -","- C102 H80 Cl4 Mn4 N18 O24 S4 -","2","1","","Liu, Chun-Sen; Guo, Wei; Carolina Sañudo, E.; Chen, Min; Hu, Min; Du, Miao; Fang, Shao-Ming","In situ syntheses, crystal structures and magnetic properties of CuII and MnII coordination assemblies based on a novel heteroalicyclic dicarboxylate tecton and N-donor co-ligands","CrystEngComm","2012","14","1","160","","10.1039/c1ce06015e","","","0.71073","MoKα","","0.0681","0.0448","","","0.1066","0.1198","","","","","","1.011","","","","has coordinates,has disorder","180402","2020-10-21","18:00:00",""
"7207124","12.056","0.002","15.736","0.003","17.49","0.004","73.04","0.03","74.49","0.03","78.36","0.03","3030.5","1.2","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H49 Ce F18 N4 O12 -","- C55 H49 Ce F18 N4 O12 -","- C110 H98 Ce2 F36 N8 O24 -","2","1","","Wang, Ya-Li; Zhou, Na; Ma, Yue; Qin, Zi-Xuan; Wang, Qing-Lun; Li, Li-Cun; Cheng, Peng; Liao, Dai-Zheng","Linear chain and mononuclear tri-spin compounds based on the lanthanide-nitronyl nitroxide radicals: structural design and magnetic properties","CrystEngComm","2012","14","1","235","","10.1039/c1ce06016c","","","0.71073","MoKα","","0.0381","0.0325","","","0.0702","0.0726","","","","","","1.06","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207125","11.259","0.002","17.207","0.003","23.884","0.006","90","","117.99","0.02","90","","4085.9","1.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 F18 N2 O9 Pr -","- C30 H24 F18 N2 O9 Pr -","- C120 H96 F72 N8 O36 Pr4 -","4","1","","Wang, Ya-Li; Zhou, Na; Ma, Yue; Qin, Zi-Xuan; Wang, Qing-Lun; Li, Li-Cun; Cheng, Peng; Liao, Dai-Zheng","Linear chain and mononuclear tri-spin compounds based on the lanthanide-nitronyl nitroxide radicals: structural design and magnetic properties","CrystEngComm","2012","14","1","235","","10.1039/c1ce06016c","","","0.71073","MoKα","","0.1","0.0666","","","0.1244","0.1369","","","","","","1.128","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207126","12.421","0.003","15.856","0.003","18.21","0.004","69.13","0.03","73.1","0.03","89.59","0.03","3187.7","1.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H49 F18 N4 O12 Pr -","- C55 H49 F18 N4 O12 Pr -","- C110 H98 F36 N8 O24 Pr2 -","2","1","","Wang, Ya-Li; Zhou, Na; Ma, Yue; Qin, Zi-Xuan; Wang, Qing-Lun; Li, Li-Cun; Cheng, Peng; Liao, Dai-Zheng","Linear chain and mononuclear tri-spin compounds based on the lanthanide-nitronyl nitroxide radicals: structural design and magnetic properties","CrystEngComm","2012","14","1","235","","10.1039/c1ce06016c","","","0.71073","MoKα","","0.1007","0.0796","","","0.2258","0.24","","","","","","1.102","","","","has coordinates,has disorder","180402","2020-10-21","18:00:00",""
"7207127","10.953","0.005","17.082","0.008","23.293","0.009","90","","116.581","0.017","90","","3897","3","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Ce F18 N2 O9 -","- C30 H24 Ce F18 N2 O9 -","- C120 H96 Ce4 F72 N8 O36 -","4","1","","Wang, Ya-Li; Zhou, Na; Ma, Yue; Qin, Zi-Xuan; Wang, Qing-Lun; Li, Li-Cun; Cheng, Peng; Liao, Dai-Zheng","Linear chain and mononuclear tri-spin compounds based on the lanthanide-nitronyl nitroxide radicals: structural design and magnetic properties","CrystEngComm","2012","14","1","235","","10.1039/c1ce06016c","","","0.71073","MoKα","","0.0366","0.0344","","","0.0815","0.083","","","","","","1.045","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207128","8.3732","0.0004","19.281","0.0009","15.4445","0.0007","90","","90.89","0.002","90","","2493.1","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 N4 O7 Zn -","- C24 H20 N4 O7 Zn -","- C96 H80 N16 O28 Zn4 -","4","1","","Cheng, Jian-Jr; Chang, Ya-Ting; Wu, Chia-Jun; Hsu, Yi-Fen; Lin, Chia-Her; Proserpio, Davide M.; Chen, Jhy-Der","Highly interpenetrated diamondoid nets of Zn(ii) and Cd(ii) coordination networks from mixed ligands","CrystEngComm","2012","14","2","537","","10.1039/c1ce06019h","","","0.71073","MoKα","","0.0886","0.041","","","0.095","0.1035","","","","","","1.006","","","","has coordinates,has disorder","180402","2020-10-21","18:00:00",""
"7207129","9.0807","0.0015","11.36","0.0016","13.2607","0.0019","92.714","0.013","106.281","0.016","107.242","0.014","1241.3","0.4","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H26 Cd N4 O8 -","- C24 H26 Cd N4 O8 -","- C48 H52 Cd2 N8 O16 -","2","1","","Cheng, Jian-Jr; Chang, Ya-Ting; Wu, Chia-Jun; Hsu, Yi-Fen; Lin, Chia-Her; Proserpio, Davide M.; Chen, Jhy-Der","Highly interpenetrated diamondoid nets of Zn(ii) and Cd(ii) coordination networks from mixed ligands","CrystEngComm","2012","14","2","537","","10.1039/c1ce06019h","","","0.71073","MoKα","","0.0258","0.0236","","","0.0599","0.0612","","","","","","1.071","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207130","9.2535","0.0002","10.2529","0.0002","11.8897","0.0003","91.372","0.001","111.487","0.001","102.427","0.001","1018.47","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H46 N4 O12 Zn2 -","- C40 H46 N4 O12 Zn2 -","- C40 H46 N4 O12 Zn2 -","1","0.5","","Cheng, Jian-Jr; Chang, Ya-Ting; Wu, Chia-Jun; Hsu, Yi-Fen; Lin, Chia-Her; Proserpio, Davide M.; Chen, Jhy-Der","Highly interpenetrated diamondoid nets of Zn(ii) and Cd(ii) coordination networks from mixed ligands","CrystEngComm","2012","14","2","537","","10.1039/c1ce06019h","","","0.71073","MoKα","","0.0492","0.0399","","","0.1245","0.1287","","","","","","1.085","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207131","27.298","0.004","10.7049","0.0012","15.889","0.003","90","","122.48","0.01","90","","3916.8","1.1","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C164 H170 Co4 N32 O5 S8 -","- C164 H168 Co4 N32 O5 S8 -","- C164 H168 Co4 N32 O5 S8 -","1","0.25","","Constable, Edwin C.; Housecroft, Catherine E.; Kopecky, Peter; Neuburger, Markus; Zampese, Jennifer A.; Zhang, Guoqi","Coordination polymers with divergent 4′-tert-butyl-4,2′:6′,4′′-terpyridine linkers: from aryl-aryl to ball-and-socket packing","CrystEngComm","2012","14","2","446","","10.1039/c1ce06024d","","","0.71073","MoKα","","0.046","0.0455","","","0.1181","0.1185","","","","","","1.088","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207132","26.316","0.006","14.8918","0.0019","8.0849","0.0017","90","","105.687","0.017","90","","3050.4","1.1","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H31 N3 O8 Zn2 -","- C27 H31 N3 O8 Zn2 -","- C108 H124 N12 O32 Zn8 -","4","0.5","","Constable, Edwin C.; Housecroft, Catherine E.; Kopecky, Peter; Neuburger, Markus; Zampese, Jennifer A.; Zhang, Guoqi","Coordination polymers with divergent 4′-tert-butyl-4,2′:6′,4′′-terpyridine linkers: from aryl-aryl to ball-and-socket packing","CrystEngComm","2012","14","2","446","","10.1039/c1ce06024d","","","0.71073","MoKα","","0.0308","0.0293","","","0.0789","0.0799","","","","","","1.085","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207133","11.5721","0.0009","18.1584","0.001","13.846","0.001","90","","110.258","0.006","90","","2729.5","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 Cl2 I2 N3 Zn -","- C25 H23 Cl2 I2 N3 Zn -","- C100 H92 Cl8 I8 N12 Zn4 -","4","1","","Constable, Edwin C.; Housecroft, Catherine E.; Kopecky, Peter; Neuburger, Markus; Zampese, Jennifer A.; Zhang, Guoqi","Coordination polymers with divergent 4′-tert-butyl-4,2′:6′,4′′-terpyridine linkers: from aryl-aryl to ball-and-socket packing","CrystEngComm","2012","14","2","446","","10.1039/c1ce06024d","","","0.71073","MoKα","","0.0375","0.0373","","","0.0996","0.0996","","","","","","1.268","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207134","9.0269","0.0009","10.144","0.001","10.6092","0.0011","62.324","0.006","65.248","0.006","70.093","0.006","768.3","0.14","123","","123","","","","","","","","","3","P -1","-P 1","2","","","","- C19 H19 N3 -","- C19 H19 N3 -","- C38 H38 N6 -","2","1","","Constable, Edwin C.; Housecroft, Catherine E.; Kopecky, Peter; Neuburger, Markus; Zampese, Jennifer A.; Zhang, Guoqi","Coordination polymers with divergent 4′-tert-butyl-4,2′:6′,4′′-terpyridine linkers: from aryl-aryl to ball-and-socket packing","CrystEngComm","2012","14","2","446","","10.1039/c1ce06024d","","","0.71073","MoKα","","0.0723","0.0558","","0.1785","0.0783","0.0621","","","","","","1.1032","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207135","7.2109","0.0008","7.3813","0.0009","7.3993","0.0009","61.433","0.002","66.1","0.002","71.148","0.002","312.1","0.06","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H10 N4 O8 S2 Zn -","- C6 H10 N4 O8 S2 Zn -","- C6 H10 N4 O8 S2 Zn -","1","0.5","","Fernando, Isurika R.; Jianrattanasawat, Sarut; Daskalakis, Nikos; Demadis, Konstantinos D.; Mezei, Gellert","Mapping the supramolecular chemistry of pyrazole-4-sulfonate: layered inorganic‒organic networks with Zn2+, Cd2+, Ag+, Na+ and NH4+, and their use in copper anticorrosion protective films","CrystEngComm","2012","14","3","908","","10.1039/c1ce06027a","","","0.71073","MoKα","","0.0253","0.0251","","","0.069","0.0691","","","","","","1.153","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207136","8.6676","0.0014","10.1917","0.0016","7.5121","0.0012","90","","95.644","0.003","90","","660.38","0.18","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H10 Cd N4 O8 S2 -","- C6 H10 Cd N4 O8 S2 -","- C12 H20 Cd2 N8 O16 S4 -","2","0.5","","Fernando, Isurika R.; Jianrattanasawat, Sarut; Daskalakis, Nikos; Demadis, Konstantinos D.; Mezei, Gellert","Mapping the supramolecular chemistry of pyrazole-4-sulfonate: layered inorganic‒organic networks with Zn2+, Cd2+, Ag+, Na+ and NH4+, and their use in copper anticorrosion protective films","CrystEngComm","2012","14","3","908","","10.1039/c1ce06027a","","","0.71073","MoKα","","0.0209","0.0195","","","0.0508","0.0517","","","","","","1.072","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207137","7.5543","0.0015","5.4219","0.001","14.26","0.003","90","","90.59","0.004","90","","584","0.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C3 H3 Ag N2 O3 S -","- C3 H3 Ag N2 O3 S -","- C12 H12 Ag4 N8 O12 S4 -","4","1","","Fernando, Isurika R.; Jianrattanasawat, Sarut; Daskalakis, Nikos; Demadis, Konstantinos D.; Mezei, Gellert","Mapping the supramolecular chemistry of pyrazole-4-sulfonate: layered inorganic‒organic networks with Zn2+, Cd2+, Ag+, Na+ and NH4+, and their use in copper anticorrosion protective films","CrystEngComm","2012","14","3","908","","10.1039/c1ce06027a","","","0.71073","MoKα","","0.0408","0.039","","","0.1008","0.1044","","","","","","1.053","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207138","10.3639","0.0015","7.1327","0.001","10.1111","0.0015","90","","115.701","0.002","90","","673.49","0.17","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C3 H5 N2 Na O4 S -","- C3 H5 N2 Na O4 S -","- C12 H20 N8 Na4 O16 S4 -","4","1","","Fernando, Isurika R.; Jianrattanasawat, Sarut; Daskalakis, Nikos; Demadis, Konstantinos D.; Mezei, Gellert","Mapping the supramolecular chemistry of pyrazole-4-sulfonate: layered inorganic‒organic networks with Zn2+, Cd2+, Ag+, Na+ and NH4+, and their use in copper anticorrosion protective films","CrystEngComm","2012","14","3","908","","10.1039/c1ce06027a","","","0.71073","MoKα","","0.0283","0.0258","","","0.0749","0.0766","","","","","","1.113","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207139","8.9194","0.0017","7.2408","0.0014","11.226","0.002","90","","101.787","0.003","90","","709.7","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3 H7 N3 O3 S -","- C3 H7 N3 O3 S -","- C12 H28 N12 O12 S4 -","4","1","","Fernando, Isurika R.; Jianrattanasawat, Sarut; Daskalakis, Nikos; Demadis, Konstantinos D.; Mezei, Gellert","Mapping the supramolecular chemistry of pyrazole-4-sulfonate: layered inorganic‒organic networks with Zn2+, Cd2+, Ag+, Na+ and NH4+, and their use in copper anticorrosion protective films","CrystEngComm","2012","14","3","908","","10.1039/c1ce06027a","","","0.71073","MoKα","","0.0302","0.0293","","","0.0802","0.081","","","","","","1.098","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207140","19.807","0.0003","27.714","0.0005","27.847","0.0005","90","","90","","90","","15286.1","0.5","200","2","200","2","","","","","","","","5","P n m n","-P 2n 2n","58","","","","- C33 H35 N3 O10.5 Zn2 -","- C24 H12 O7.5 Zn2 -","- C192 H96 O60 Zn16 -","8","1","","Burrows, Andrew D.; Fisher, Laura C.; Hodgson, David; Mahon, Mary F.; Cessford, Naomi F.; Düren, Tina; Richardson, Christopher; Rigby, Sean P.","The synthesis, structures and reactions of zinc and cobalt metal‒organic frameworks incorporating an alkyne-based dicarboxylate linker","CrystEngComm","2012","14","1","188","","10.1039/c1ce06044a","","","0.71073","MoKα","","0.1209","0.0602","","","0.1523","0.1769","","","","","","0.985","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207141","15.331","0.0002","17.957","0.0003","16.533","0.0003","90","","117.704","0.001","90","","4029.73","0.12","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33.9 H35.1 Co1.5 N3.3 O9.3 -","- C33.9 H35.1 Co1.5 N3.3 O9.3 -","- C135.6 H140.4 Co6 N13.2 O37.2 -","4","1","","Burrows, Andrew D.; Fisher, Laura C.; Hodgson, David; Mahon, Mary F.; Cessford, Naomi F.; Düren, Tina; Richardson, Christopher; Rigby, Sean P.","The synthesis, structures and reactions of zinc and cobalt metal‒organic frameworks incorporating an alkyne-based dicarboxylate linker","CrystEngComm","2012","14","1","188","","10.1039/c1ce06044a","","","0.71073","MoKα","","0.1507","0.0775","","","0.2087","0.2547","","","","","","1.033","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207142","4.7998","0.0019","23.277","0.018","30.22","0.02","90","","90","","90","","3376","4","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C11 H23 Cd N3 O14 -","- C11 H9 Cd N2 O6 -","- C88 H72 Cd8 N16 O48 -","8","1","","Kong, Guo-Qiang; Wu, Chuan-De","Five coordination networks based on zwitterionic ligands: synthesis, crystal structures and optical properties","CrystEngComm","2012","14","3","847","","10.1039/c1ce06052j","","","0.71073","MoKα","","0.1411","0.0882","","","0.2066","0.2357","","","","","","1.067","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207143","5.0975","0.0003","11.4735","0.0006","29.143","0.002","90","","90","","90","","1704.46","0.18","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C11 H27 N2 O13 Zn -","- C11 H17 N2 O8 Zn -","- C44 H68 N8 O32 Zn4 -","4","0.5","","Kong, Guo-Qiang; Wu, Chuan-De","Five coordination networks based on zwitterionic ligands: synthesis, crystal structures and optical properties","CrystEngComm","2012","14","3","847","","10.1039/c1ce06052j","","","0.71073","MoKα","","0.0891","0.0766","","","0.2013","0.2084","","","","","","1.015","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207144","7.0378","0.001","13.4247","0.0019","13.0933","0.0018","90","","90.475","0.013","90","","1237","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H9 Cd Cl N2 O4 -","- C11 H9 Cd Cl N2 O4 -","- C44 H36 Cd4 Cl4 N8 O16 -","4","1","","Kong, Guo-Qiang; Wu, Chuan-De","Five coordination networks based on zwitterionic ligands: synthesis, crystal structures and optical properties","CrystEngComm","2012","14","3","847","","10.1039/c1ce06052j","","","0.71073","MoKα","","0.1006","0.0858","","","0.229","0.2369","","","","","","1.15","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207145","7.0505","0.0009","7.7448","0.0009","8.4534","0.0009","107.543","0.01","95.451","0.01","98.716","0.01","430.17","0.09","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C16 H16 N2 O10 Zn -","- C16 H16 N2 O10 Zn -","- C16 H16 N2 O10 Zn -","1","1","","Kong, Guo-Qiang; Wu, Chuan-De","Five coordination networks based on zwitterionic ligands: synthesis, crystal structures and optical properties","CrystEngComm","2012","14","3","847","","10.1039/c1ce06052j","","","0.71073","MoKα","","0.0525","0.0434","","","0.0959","0.1028","","","","","","0.856","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207146","7.8622","0.0005","7.8443","0.0004","14.2865","0.0009","90","","102.523","0.006","90","","860.14","0.09","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C16 H12 Cd N2 O8 -","- C16 H12 Cd N2 O8 -","- C32 H24 Cd2 N4 O16 -","2","0.5","","Kong, Guo-Qiang; Wu, Chuan-De","Five coordination networks based on zwitterionic ligands: synthesis, crystal structures and optical properties","CrystEngComm","2012","14","3","847","","10.1039/c1ce06052j","","","0.71073","MoKα","","0.051","0.0452","","","0.1035","0.1065","","","","","","1.126","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207147","10.277","0.003","15.593","0.005","9.715","0.003","90","","114.844","0.006","90","","1412.7","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H10 F8 I4 -","- C28 H10 F8 I4 -","- C56 H20 F16 I8 -","2","0.5","","Shen, Qian Jin; Wei, Hong Qing; Zou, Wen Sheng; Sun, Hao Ling; Jin, Wei Jun","Cocrystals assembled by pyrene and 1,2- or 1,4-diiodotetrafluorobenzenes and their phosphorescent behaviors modulated by local molecular environment","CrystEngComm","2012","14","3","1010","","10.1039/c1ce06069d","","","0.71073","MoKα","","0.0545","0.0459","","","0.1029","0.1074","","","","","","1.087","","","","has coordinates,has disorder","180402","2020-10-21","18:00:00",""
"7207148","8.3885","0.0002","18.3017","0.0004","13.1838","0.0004","90","","105.268","0.001","90","","1952.59","0.09","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H10 F4 I2 -","- C22 H10 F4 I2 -","- C88 H40 F16 I8 -","4","1","","Shen, Qian Jin; Wei, Hong Qing; Zou, Wen Sheng; Sun, Hao Ling; Jin, Wei Jun","Cocrystals assembled by pyrene and 1,2- or 1,4-diiodotetrafluorobenzenes and their phosphorescent behaviors modulated by local molecular environment","CrystEngComm","2012","14","3","1010","","10.1039/c1ce06069d","","","0.71073","MoKα","","0.056","0.0373","","","0.0889","0.0991","","","","","","1.016","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207149","9.2348","0.0002","17.6801","0.0004","7.3278","0.0002","90","","101.34","0.002","90","","1173.07","0.05","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(3-Aminopyridinium) 2,5-dihydrogenpyromellitate tetrahydrate","bis(3-Aminopyridinium) 2,5-dicarboxybenzene-1,4-dicarboxylate tetrahydrate","","- C20 H26 N4 O12 -","- C20 H26 N4 O12 -","- C40 H52 N8 O24 -","2","0.5","","Shen, Qian Jin; Wei, Hong Qing; Zou, Wen Sheng; Sun, Hao Ling; Jin, Wei Jun","Cocrystals assembled by pyrene and 1,2- or 1,4-diiodotetrafluorobenzenes and their phosphorescent behaviors modulated by local molecular environment","CrystEngComm","2012","14","3","1010","","10.1039/c1ce06069d","","","0.71073","MoKα","","0.0955","0.0486","","","0.1166","0.1288","","","","","","0.895","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207150","6.6314","0.0002","9.5284","0.0003","9.8203","0.0003","66.511","0.003","87.534","0.002","83.336","0.002","565.25","0.03","298","2","298","2","","","","","","","","4","P -1","-P 1","2","bis(4-Carboxyanilinium) 2,5-dihydrogenpyromellitate","bis(4-Carboxyphenylammonium) 2,5-dicarboxybenzene-1,4-dicarboxylate","","- C24 H20 N2 O12 -","- C24 H20 N2 O12 -","- C24 H20 N2 O12 -","1","0.5","","Shen, Qian Jin; Wei, Hong Qing; Zou, Wen Sheng; Sun, Hao Ling; Jin, Wei Jun","Cocrystals assembled by pyrene and 1,2- or 1,4-diiodotetrafluorobenzenes and their phosphorescent behaviors modulated by local molecular environment","CrystEngComm","2012","14","3","1010","","10.1039/c1ce06069d","","","0.71073","MoKα","","0.0502","0.0444","","","0.1305","0.1344","","","","","","1.069","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207151","7.0774","0.0002","7.5332","0.0003","19.418","0.0006","90","","94.931","0.003","90","","1031.45","0.06","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(Nicotinium) 2,5-dihydrogenpyromellitate","bis(3-Carboxypyridinium) 2,5-dicarboxybenzene-1,4-dicarboxylate","","- C22 H16 N2 O12 -","- C22 H16 N2 O12 -","- C44 H32 N4 O24 -","2","0.5","","Shen, Qian Jin; Wei, Hong Qing; Zou, Wen Sheng; Sun, Hao Ling; Jin, Wei Jun","Cocrystals assembled by pyrene and 1,2- or 1,4-diiodotetrafluorobenzenes and their phosphorescent behaviors modulated by local molecular environment","CrystEngComm","2012","14","3","1010","","10.1039/c1ce06069d","","","0.71073","MoKα","","0.0552","0.0346","","","0.0877","0.0926","","","","","","0.969","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207152","7.2785","0.0002","7.3763","0.0002","10.0274","0.0002","72.392","0.002","87.792","0.002","76.164","0.002","497.91","0.02","298","2","298","2","","","","","","","","4","P -1","-P 1","2","bis(Nicotinium) 2,5-dihydrogenpyromellitate","bis(3-Carboxypyridinium) 2,5-dicarboxybenzene-1,4-dicarboxylate","","- C22 H16 N2 O12 -","- C22 H16 N2 O12 -","- C22 H16 N2 O12 -","1","0.5","","Shen, Qian Jin; Wei, Hong Qing; Zou, Wen Sheng; Sun, Hao Ling; Jin, Wei Jun","Cocrystals assembled by pyrene and 1,2- or 1,4-diiodotetrafluorobenzenes and their phosphorescent behaviors modulated by local molecular environment","CrystEngComm","2012","14","3","1010","","10.1039/c1ce06069d","","","0.71073","MoKα","","0.0421","0.036","","","0.1037","0.1067","","","","","","1.063","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207153","23.8597","0.0008","7.267","0.0002","19.5048","0.0008","90","","117.713","0.001","90","","2993.96","0.18","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H26 Ag2 N14 O5 -","- C28 H26 Ag2 N14 O5 -","- C112 H104 Ag8 N56 O20 -","4","0.5","","Sun, Di; Hao, Hong-Jun; Liu, Fu-Jing; Su, Hai-Feng; Huang, Rong-Bin; Zheng, Lan-Sun","Syntheses, crystal structures and photoluminescent properties of two novel Ag(i) coordination polymers with benzoguanamine and pyrazine-carboxylate ligands: From 1D helix to 1D →2D interdigitation","CrystEngComm","2012","14","2","480","","10.1039/c1ce06089a","","","0.71073","MoKα","","0.0253","0.0223","","","0.0615","0.079","","","","","","1.195","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207154","49.174","0.008","8.9007","0.0015","12.382","0.002","90","","102.613","0.003","90","","5288.6","1.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H22 Ag2 N12 O5 -","- C24 H22 Ag2 N12 O5 -","- C192 H176 Ag16 N96 O40 -","8","1","","Sun, Di; Hao, Hong-Jun; Liu, Fu-Jing; Su, Hai-Feng; Huang, Rong-Bin; Zheng, Lan-Sun","Syntheses, crystal structures and photoluminescent properties of two novel Ag(i) coordination polymers with benzoguanamine and pyrazine-carboxylate ligands: From 1D helix to 1D →2D interdigitation","CrystEngComm","2012","14","2","480","","10.1039/c1ce06089a","","","0.71073","MoKα","","0.0684","0.0666","","","0.1718","0.1732","","","","","","1.087","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207155","12.472","0.002","12.472","0.002","19.703","0.003","90","","90","","120","","2654.2","0.7","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C6 H7.83 Eu N2 O8.41 -","- C6 H7.828 Eu N2 O8.414 -","- C54 H70.452 Eu9 N18 O75.726 -","9","0.5","","Gao, Ming-Juan; Yang, Ping; Cai, Bin; Dai, Jing-Wei; Wu, Jian-Zhong; Yu, Ying","Spontaneous resolution of lanthanide coordination polymers with 2-hydroxypyrimidine-4,6-dicarboxylic acid","CrystEngComm","2012","14","4","1264","","10.1039/c1ce06090b","","","0.71073","MoKα","","0.0137","0.0135","","","0.0329","0.033","","","","","","1.04","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207156","12.439","0.0009","12.439","0.0009","19.67","0.0015","90","","90","","120","","2635.8","0.3","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C6 H8.04 Gd N2 O8.52 -","- C6 H8.036 Gd N2 O8.51867 -","- C54 H72.324 Gd9 N18 O76.668 -","9","0.5","","Gao, Ming-Juan; Yang, Ping; Cai, Bin; Dai, Jing-Wei; Wu, Jian-Zhong; Yu, Ying","Spontaneous resolution of lanthanide coordination polymers with 2-hydroxypyrimidine-4,6-dicarboxylic acid","CrystEngComm","2012","14","4","1264","","10.1039/c1ce06090b","","","0.71073","MoKα","","0.0156","0.0152","","","0.0338","0.0339","","","","","","1.017","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207157","12.404","0.001","12.404","0.001","19.6075","0.0016","90","","90","","120","","2612.6","0.4","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C6 H8.06 N2 O8.53 Tb -","- C6 H8.064 N2 O8.532 Tb -","- C54 H72.576 N18 O76.788 Tb9 -","9","0.5","","Gao, Ming-Juan; Yang, Ping; Cai, Bin; Dai, Jing-Wei; Wu, Jian-Zhong; Yu, Ying","Spontaneous resolution of lanthanide coordination polymers with 2-hydroxypyrimidine-4,6-dicarboxylic acid","CrystEngComm","2012","14","4","1264","","10.1039/c1ce06090b","","","0.71073","MoKα","","0.0123","0.0122","","","0.0303","0.0303","","","","","","1.068","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207158","12.359","0.002","12.359","0.002","19.602","0.003","90","","90","","120","","2593","0.7","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C6 H8 Dy N2 O8.5 -","- C6 H8.008 Dy N2 O8.504 -","- C54 H72.072 Dy9 N18 O76.536 -","9","0.5","","Gao, Ming-Juan; Yang, Ping; Cai, Bin; Dai, Jing-Wei; Wu, Jian-Zhong; Yu, Ying","Spontaneous resolution of lanthanide coordination polymers with 2-hydroxypyrimidine-4,6-dicarboxylic acid","CrystEngComm","2012","14","4","1264","","10.1039/c1ce06090b","","","0.71073","MoKα","","0.0126","0.0125","","","0.0291","0.0291","","","","","","1.045","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207159","12.2943","0.0008","12.2943","0.0008","19.556","0.003","90","","90","","120","","2559.9","0.5","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C6 H8.57 Er N2 O8.79 -","- C6 H8.572 Er N2 O8.78667 -","- C54 H77.148 Er9 N18 O79.08 -","9","0.5","","Gao, Ming-Juan; Yang, Ping; Cai, Bin; Dai, Jing-Wei; Wu, Jian-Zhong; Yu, Ying","Spontaneous resolution of lanthanide coordination polymers with 2-hydroxypyrimidine-4,6-dicarboxylic acid","CrystEngComm","2012","14","4","1264","","10.1039/c1ce06090b","","","0.71073","MoKα","","0.0167","0.0166","","","0.0398","0.0398","","","","","","1.076","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207160","12.2284","0.0016","12.2284","0.0016","19.605","0.005","90","","90","","120","","2538.8","0.8","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C6 H7.93 N2 O8.46 Yb -","- C6 H7.928 N2 O8.46 Yb -","- C54 H71.352 N18 O76.14 Yb9 -","9","0.5","","Gao, Ming-Juan; Yang, Ping; Cai, Bin; Dai, Jing-Wei; Wu, Jian-Zhong; Yu, Ying","Spontaneous resolution of lanthanide coordination polymers with 2-hydroxypyrimidine-4,6-dicarboxylic acid","CrystEngComm","2012","14","4","1264","","10.1039/c1ce06090b","","","0.71073","MoKα","","0.0195","0.0194","","","0.0454","0.0454","","","","","","1.084","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207161","12.4387","0.0009","12.4387","0.0009","19.6706","0.0015","90","","90","","120","","2635.7","0.3","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C6 H7.94 Gd N2 O8.47 -","- C6 H7.936 Gd N2 O8.46667 -","- C54 H71.424 Gd9 N18 O76.2 -","9","0.5","","Gao, Ming-Juan; Yang, Ping; Cai, Bin; Dai, Jing-Wei; Wu, Jian-Zhong; Yu, Ying","Spontaneous resolution of lanthanide coordination polymers with 2-hydroxypyrimidine-4,6-dicarboxylic acid","CrystEngComm","2012","14","4","1264","","10.1039/c1ce06090b","","","0.71073","MoKα","","0.0247","0.0244","","","0.0615","0.0616","","","","","","1.086","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207162","22.42158","0.00019","22.42158","0.00019","22.42158","0.00019","90","","90","","90","","11271.9","0.17","173","2","173","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C92 H127 N11 O24 Si2 Zn4 -","- C48.05 H28.032 O13.012 Si2 Zn4 -","- C192.2 H112.128 O52.048 Si8 Zn16 -","4","0.166667","","Davies, Robert P.; Lickiss, Paul D.; Robertson, Karen; White, Andrew J. P.","An organosilicon hexacarboxylic acid and its use in the construction of a novel metal organic framework isoreticular to MOF-5","CrystEngComm","2012","14","3","758","","10.1039/c1ce06091k","","","1.54184","CuKα","","0.118","0.1007","","","0.3406","0.3593","","","","","","1.382","","","","has coordinates,has disorder","180402","2020-10-21","18:00:00",""
"7207163","11.511","0.002","12.436","0.003","12.095","0.002","90","","102.05","0.03","90","","1693.3","0.6","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Sulfamerazine-1,4-dioxane (1:1)","Sulfamerazine-1,4-dioxane (1:1)","","- C15 H20 N4 O4 S -","- C15 H20 N4 O4 S -","- C60 H80 N16 O16 S4 -","4","1","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","The solvates of sulfamerazine: structural, thermochemical, and desolvation studies","CrystEngComm","2012","14","2","691","","10.1039/c1ce06095c","","","0.71073","MoKα","","0.0494","0.0462","","","0.1192","0.1219","","","","","","1.104","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207164","7.7675","0.0016","8.1233","0.0016","12.631","0.003","91.16","0.03","95.69","0.03","105.23","0.03","764.3","0.3","110","2","110","2","","","","","","","","5","P -1","-P 1","2","Sulfamerazine-1,4-dioxane (1:0.5)","Sulfamerazine-1,4-dioxane (1:0.5)","","- C13 H16 N4 O3 S -","- C13 H16 N4 O3 S -","- C26 H32 N8 O6 S2 -","2","1","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","The solvates of sulfamerazine: structural, thermochemical, and desolvation studies","CrystEngComm","2012","14","2","691","","10.1039/c1ce06095c","","","0.71073","MoKα","","0.0487","0.0464","","","0.1106","0.1125","","","","","","1.116","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207165","9.774","0.002","12.556","0.003","14.659","0.003","76.58","0.03","77.57","0.03","86.18","0.03","1708.6","0.7","110","2","110","2","","","","","","","","5","P -1","-P 1","2","Sulfamerazine-dimethylformamide(1:1)","Sulfamerazine-dimethylformamide(1:1)","","- C14 H19 N5 O3 S -","- C14 H19 N5 O3 S -","- C56 H76 N20 O12 S4 -","4","2","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","The solvates of sulfamerazine: structural, thermochemical, and desolvation studies","CrystEngComm","2012","14","2","691","","10.1039/c1ce06095c","","","0.71073","MoKα","","0.0828","0.0725","","","0.1708","0.1783","","","","","","1.185","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207166","7.6792","0.0015","8.3101","0.0017","15.125","0.003","93.13","0.03","101.81","0.03","104.77","0.03","907.7","0.4","110","2","110","2","","","","","","","","5","P -1","-P 1","2","Sulfamerazine-dimethylacetamide(1:1)","Sulfamerazine-dimethylacetamide(1:1)","","- C15 H21 N5 O3 S -","- C15 H21 N5 O3 S -","- C30 H42 N10 O6 S2 -","2","1","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","The solvates of sulfamerazine: structural, thermochemical, and desolvation studies","CrystEngComm","2012","14","2","691","","10.1039/c1ce06095c","","","0.71073","MoKα","","0.0675","0.0641","","","0.1661","0.1694","","","","","","1.104","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207167","5.965","0.0012","9.6479","0.0019","14.817","0.003","76.16","0.03","83.05","0.03","89.71","0.03","821.6","0.3","110","2","110","2","","","","","","","","5","P -1","-P 1","2","Sulfamerazine-cyclopentanone(1:1)","Sulfamerazine-cyclopentanone(1:1)","","- C16 H20 N4 O3 S -","- C16 H20 N4 O3 S -","- C32 H40 N8 O6 S2 -","2","1","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","The solvates of sulfamerazine: structural, thermochemical, and desolvation studies","CrystEngComm","2012","14","2","691","","10.1039/c1ce06095c","","","0.71073","MoKα","","0.0591","0.0571","","","0.1564","0.1576","","","","","","1.151","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207168","7.8319","0.0016","8.1117","0.0016","15.358","0.003","76.47","0.03","77.04","0.03","73.54","0.03","896.6","0.4","110","2","110","2","","","","","","","","5","P -1","-P 1","2","Sulfamerazine-3-Picoline(1:1)","Sulfamerazine-3-Picoline(1:1)","","- C17 H19 N5 O2 S -","- C17 H19 N5 O2 S -","- C34 H38 N10 O4 S2 -","2","1","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","The solvates of sulfamerazine: structural, thermochemical, and desolvation studies","CrystEngComm","2012","14","2","691","","10.1039/c1ce06095c","","","0.71073","MoKα","","0.0502","0.0477","","","0.1198","0.1233","","","","","","1.117","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207169","13.0158","0.0009","13.0158","0.0009","10.8532","0.0004","90","","90","","120","","1592.32","0.17","130","2","130","2","","","","","","","","6","P -3 1 m","-P 3 2","162","[Mn(DMSO)4(H2O)2][Mn2TCNQ3]","","","- C44 H40 Mn3 N12 O6 S4 -","- C36 H12 Mn2.999 N12 -","- C36 H12 Mn2.999 N12 -","1","0.0833333","","Abrahams, Brendan F.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard","A new type of 3D [(MII)2(TCNQ−II)3]2− coordination network with spacious channels of hexagonal cross-section generated from TCNQH2","CrystEngComm","2012","14","2","351","","10.1039/c1ce06104f","","","1.54184","CuKα","","0.1027","0.0821","","","0.2513","0.2809","","","","","","1.022","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207170","12.9515","0.0004","12.9515","0.0004","10.8818","0.0002","90","","90","","120","","1580.78","0.07","130","2","130","2","","","","","","","","6","P -3 1 m","-P 3 2","162","[Cd(DMSO)4(H2O)2][Cd2TCNQ3]","","","- C44 H40 Cd3 N12 O6 S4 -","- C36 H12 Cd2.999 N12 -","- C36 H12 Cd2.999 N12 -","1","0.0833333","","Abrahams, Brendan F.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard","A new type of 3D [(MII)2(TCNQ−II)3]2− coordination network with spacious channels of hexagonal cross-section generated from TCNQH2","CrystEngComm","2012","14","2","351","","10.1039/c1ce06104f","","","1.54184","CuKα","","0.043","0.039","","","0.1149","0.1181","","","","","","1.161","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207171","12.7447","0.0004","12.7447","0.0004","10.7107","0.0003","90","","90","","120","","1506.63","0.08","130","2","130","2","","","","","","","","6","P -3 1 m","-P 3 2","162","[Zn(DMSO)4(H2O)2][Zn2TCNQ3]","","","- C44 H40 N12 O6 S4 Zn3 -","- C36 H12 N12 Zn3 -","- C36 H12 N12 Zn3 -","1","0.0833333","","Abrahams, Brendan F.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard","A new type of 3D [(MII)2(TCNQ−II)3]2− coordination network with spacious channels of hexagonal cross-section generated from TCNQH2","CrystEngComm","2012","14","2","351","","10.1039/c1ce06104f","","","1.54184","CuKα","","0.0883","0.0827","","","0.2757","0.2859","","","","","","1.161","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207172","12.8814","0.0003","12.8814","0.0003","22.0591","0.0004","90","","90","","120","","3169.89","0.12","130","2","130","2","","","","","","","","5","P 63/m c m","-P 6c 2","193","[Mn(bipy)3][Mn2TCNQ3].2MeOH","","","- C68 H44 Mn3 N18 O2 -","- C36 H12 Mn3 N12 -","- C72 H24 Mn6 N24 -","2","0.0833333","","Abrahams, Brendan F.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard","A new type of 3D [(MII)2(TCNQ−II)3]2− coordination network with spacious channels of hexagonal cross-section generated from TCNQH2","CrystEngComm","2012","14","2","351","","10.1039/c1ce06104f","","","1.54184","CuKα","","0.107","0.099","","","0.3149","0.3385","","","","","","1.501","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207173","12.097","0.003","10.088","0.002","26.807","0.006","90","","90","","90","","3271.4","1.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","1,3-benzothiazole-2-yl","","","- C17 H15 Cl N2 O2 S -","- C17 H15 Cl N2 O2 S -","- C136 H120 Cl8 N16 O16 S8 -","8","1","","Navarrete-Vázquez, Gabriel; Alaniz-Palacios, Alfredo; Tlahuextl, Margarita; Bernal-Uruchurtu, Margarita; Tlahuext, Hugo","Intramolecular hypervalent CO⋯S interactions in a series of 1,3-benzothiazole derivatives","CrystEngComm","2012","14","4","1256","","10.1039/c1ce06106b","","","0.71073","MoKα","","0.0538","0.0528","","","0.1024","0.103","","","","","","1.318","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207174","14.1449","0.0013","9.9181","0.0009","25.167","0.002","90","","90","","90","","3530.7","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","6-methyl-1,3-benzothiazole-2-yl","","","- C18 H17 Cl N2 O2 S -","- C18 H17 Cl N2 O2 S -","- C144 H136 Cl8 N16 O16 S8 -","8","1","","Navarrete-Vázquez, Gabriel; Alaniz-Palacios, Alfredo; Tlahuextl, Margarita; Bernal-Uruchurtu, Margarita; Tlahuext, Hugo","Intramolecular hypervalent CO⋯S interactions in a series of 1,3-benzothiazole derivatives","CrystEngComm","2012","14","4","1256","","10.1039/c1ce06106b","","","0.71073","MoKα","","0.0647","0.0625","","","0.1182","0.1192","","","","","","1.342","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207175","14.9642","0.0018","7.717","0.0009","18.704","0.003","90","","116.669","0.002","90","","1930.1","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","6-methoxy-1,3-benzothiazole-2-yl","","","- C19 H21 Cl N2 O4 S -","- C19 H21 Cl N2 O4 S -","- C76 H84 Cl4 N8 O16 S4 -","4","1","","Navarrete-Vázquez, Gabriel; Alaniz-Palacios, Alfredo; Tlahuextl, Margarita; Bernal-Uruchurtu, Margarita; Tlahuext, Hugo","Intramolecular hypervalent CO⋯S interactions in a series of 1,3-benzothiazole derivatives","CrystEngComm","2012","14","4","1256","","10.1039/c1ce06106b","","","0.71073","MoKα","","0.0477","0.0376","","","0.0916","0.1027","","","","","","1.058","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207176","23.731","0.002","13.7198","0.0014","17.4841","0.0018","90","","102.16","0.002","90","","5564.8","0.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","6-ethoxy-1,3-benzothiazole-2-yl","","","- C19 H19 Cl N2 O3 S -","- C19 H19 Cl N2 O3 S -","- C228 H228 Cl12 N24 O36 S12 -","12","3","","Navarrete-Vázquez, Gabriel; Alaniz-Palacios, Alfredo; Tlahuextl, Margarita; Bernal-Uruchurtu, Margarita; Tlahuext, Hugo","Intramolecular hypervalent CO⋯S interactions in a series of 1,3-benzothiazole derivatives","CrystEngComm","2012","14","4","1256","","10.1039/c1ce06106b","","","0.71073","MoKα","","0.0532","0.0408","","","0.0933","0.0999","","","","","","1.038","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207177","7.2962","0.0007","9.8387","0.001","13.9567","0.0014","77.188","0.002","84.71","0.002","76.498","0.002","949.07","0.16","173","2","173","2","","","","","","","","6","P -1","-P 1","2","6-chloro-1,3-benzothiazole-2-yl","","","- C18 H18 Cl2 N2 O3 S -","- C18 H18 Cl2 N2 O3 S -","- C36 H36 Cl4 N4 O6 S2 -","2","1","","Navarrete-Vázquez, Gabriel; Alaniz-Palacios, Alfredo; Tlahuextl, Margarita; Bernal-Uruchurtu, Margarita; Tlahuext, Hugo","Intramolecular hypervalent CO⋯S interactions in a series of 1,3-benzothiazole derivatives","CrystEngComm","2012","14","4","1256","","10.1039/c1ce06106b","","","0.71073","MoKα","","0.0337","0.0315","","","0.0833","0.0849","","","","","","1.054","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207178","7.395","0.002","7.653","0.002","15.958","0.004","90.156","0.005","96.693","0.004","99.998","0.004","883.1","0.4","294","2","294","2","","","","","","","","6","P -1","-P 1","2","6-nitro-1,3-benzothiazole-2-yl","","","- C17 H14 Cl N3 O4 S -","- C17 H14 Cl N3 O4 S -","- C34 H28 Cl2 N6 O8 S2 -","2","1","","Navarrete-Vázquez, Gabriel; Alaniz-Palacios, Alfredo; Tlahuextl, Margarita; Bernal-Uruchurtu, Margarita; Tlahuext, Hugo","Intramolecular hypervalent CO⋯S interactions in a series of 1,3-benzothiazole derivatives","CrystEngComm","2012","14","4","1256","","10.1039/c1ce06106b","","","0.71073","MoKα","","0.06","0.0424","","","0.1163","0.1335","","","","","","1.094","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207179","29.002","0.003","8.6295","0.0009","16.5593","0.0018","90","","113.948","0.002","90","","3787.6","0.7","294","2","294","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","6-methanesulfonyl-1,3-benzothiazole-2-yl","","","- C18 H17 Cl N2 O4 S2 -","- C18 H17 Cl N2 O4 S2 -","- C144 H136 Cl8 N16 O32 S16 -","8","1","","Navarrete-Vázquez, Gabriel; Alaniz-Palacios, Alfredo; Tlahuextl, Margarita; Bernal-Uruchurtu, Margarita; Tlahuext, Hugo","Intramolecular hypervalent CO⋯S interactions in a series of 1,3-benzothiazole derivatives","CrystEngComm","2012","14","4","1256","","10.1039/c1ce06106b","","","0.71073","MoKα","","0.052","0.0388","","","0.1022","0.1178","","","","","","1.126","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207180","15.8708","0.0006","15.8708","0.0006","24.2726","0.0016","90","","90","","120","","5294.7","0.4","293","2","293","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C80 H64 K6 N2 O39 Pb6 -","- C80 H59.94 K6 N2 O39 Pb6 -","- C160 H119.88 K12 N4 O78 Pb12 -","2","0.0833333","","Li, Xian-Qiang; Zhang, Hua-Bin; Wu, Shu-Ting; Lin, Jian-Di; Lin, Ping; Li, Zhi-Hua; Du, Shao-Wu","Synthesis, structures and luminescent properties of new Pb(ii)/M(i) (M = K, Rb and Cs) frameworks based on dicarboxylic acids: a novel icosahedral Pb6-M6 SBU","CrystEngComm","2012","14","3","936","","10.1039/c1ce06111a","","","0.71073","MoKα","","0.0381","0.0366","","","0.1102","0.1115","","","","","","1.053","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207181","16.0334","0.0001","16.0334","0.0001","24.3028","0.001","90","","90","","120","","5410.5","0.2","293","2","293","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C80 H64 N2 O39 Pb6 Rb6 -","- C80 H59.94 N2 O39 Pb6 Rb6 -","- C160 H119.88 N4 O78 Pb12 Rb12 -","2","0.0833333","","Li, Xian-Qiang; Zhang, Hua-Bin; Wu, Shu-Ting; Lin, Jian-Di; Lin, Ping; Li, Zhi-Hua; Du, Shao-Wu","Synthesis, structures and luminescent properties of new Pb(ii)/M(i) (M = K, Rb and Cs) frameworks based on dicarboxylic acids: a novel icosahedral Pb6-M6 SBU","CrystEngComm","2012","14","3","936","","10.1039/c1ce06111a","","","0.71073","MoKα","","0.0493","0.0476","","","0.1536","0.1543","","","","","","1.082","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207182","16.231","0.003","16.231","0.003","24.466","0.005","90","","90","","120","","5581.9","1.9","293","2","293","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C80 H64 Cs6 N2 O39 Pb6 -","- C80 H59.94 Cs6 N2 O38.99 Pb6 -","- C160 H119.88 Cs12 N4 O77.98 Pb12 -","2","0.0833333","","Li, Xian-Qiang; Zhang, Hua-Bin; Wu, Shu-Ting; Lin, Jian-Di; Lin, Ping; Li, Zhi-Hua; Du, Shao-Wu","Synthesis, structures and luminescent properties of new Pb(ii)/M(i) (M = K, Rb and Cs) frameworks based on dicarboxylic acids: a novel icosahedral Pb6-M6 SBU","CrystEngComm","2012","14","3","936","","10.1039/c1ce06111a","","","0.71073","MoKα","","0.0622","0.0615","","","0.2397","0.2407","","","","","","1.014","","","","has coordinates,has disorder","180402","2020-10-21","18:00:00",""
"7207183","13.5107","0.0016","23.38","0.003","5.8727","0.0007","90","","90","","90","","1855.1","0.4","293","2","293","2","","","","","","","","6","P m m n :2","-P 2ab 2a","59","","","","- C28 H24 K2 O16 Pb S2 -","- C28 H20 K2 O16 Pb S2 -","- C56 H40 K4 O32 Pb2 S4 -","2","0.25","","Li, Xian-Qiang; Zhang, Hua-Bin; Wu, Shu-Ting; Lin, Jian-Di; Lin, Ping; Li, Zhi-Hua; Du, Shao-Wu","Synthesis, structures and luminescent properties of new Pb(ii)/M(i) (M = K, Rb and Cs) frameworks based on dicarboxylic acids: a novel icosahedral Pb6-M6 SBU","CrystEngComm","2012","14","3","936","","10.1039/c1ce06111a","","","0.71073","MoKα","","0.0684","0.0599","","","0.1968","0.2034","","","","","","1.093","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207184","11.3401","0.0005","25.0935","0.001","22.874","0.0011","90","","96.895","0.004","90","","6462","0.5","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H38 Cs2 N2 O20 Pb2 S3 -","- C48 H38 Cs2 N2 O20 Pb2 S3 -","- C192 H152 Cs8 N8 O80 Pb8 S12 -","4","1","","Li, Xian-Qiang; Zhang, Hua-Bin; Wu, Shu-Ting; Lin, Jian-Di; Lin, Ping; Li, Zhi-Hua; Du, Shao-Wu","Synthesis, structures and luminescent properties of new Pb(ii)/M(i) (M = K, Rb and Cs) frameworks based on dicarboxylic acids: a novel icosahedral Pb6-M6 SBU","CrystEngComm","2012","14","3","936","","10.1039/c1ce06111a","","","0.71073","MoKα","","0.0876","0.0769","","","0.2212","0.2345","","","","","","1.024","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207185","6.869","0.002","12.205","0.005","15.661","0.005","88.608","0.009","78.867","0.01","85.617","0.008","1284.4","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H22 O4 S2 -","- C34 H22 O4 S2 -","- C68 H44 O8 S4 -","2","1","","Kinuta, Takafumi; Sato, Tomohiro; Tajima, Nobuo; Matsubara, Yoshio; Miyazawa, Mitsuo; Imai, Yoshitane","Preparation of novel polymorphic pigment 3,3′-(4,4′-biphenyldiylbisthio)bis-2-methyl-1,4-naphthoquinone and its polymorphic properties","CrystEngComm","2012","14","3","1016","","10.1039/c1ce06115a","","","0.71075","MoKα","","0.0636","0.0524","","","0.1358","0.1449","","","","","","1.062","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207186","20.585","0.006","5.2382","0.0016","12.441","0.004","90","","90.471","0.004","90","","1341.4","0.7","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H22 O4 S2 -","- C34 H22 O4 S2 -","- C68 H44 O8 S4 -","2","0.5","","Kinuta, Takafumi; Sato, Tomohiro; Tajima, Nobuo; Matsubara, Yoshio; Miyazawa, Mitsuo; Imai, Yoshitane","Preparation of novel polymorphic pigment 3,3′-(4,4′-biphenyldiylbisthio)bis-2-methyl-1,4-naphthoquinone and its polymorphic properties","CrystEngComm","2012","14","3","1016","","10.1039/c1ce06115a","","","0.71075","MoKα","","0.0845","0.0691","","","0.2044","0.2275","","","","","","1.091","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207187","5.5787","0.0012","27.608","0.007","16.771","0.004","90","","90","","90","","2583","1.1","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C34 H22 O4 S2 -","- C34 H22 O4 S2 -","- C136 H88 O16 S8 -","4","1","","Kinuta, Takafumi; Sato, Tomohiro; Tajima, Nobuo; Matsubara, Yoshio; Miyazawa, Mitsuo; Imai, Yoshitane","Preparation of novel polymorphic pigment 3,3′-(4,4′-biphenyldiylbisthio)bis-2-methyl-1,4-naphthoquinone and its polymorphic properties","CrystEngComm","2012","14","3","1016","","10.1039/c1ce06115a","","","0.71075","MoKα","","0.1169","0.0728","","","0.1658","0.1962","","","","","","0.977","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207188","12.774","0.004","16.152","0.005","21.355","0.007","90","","101.427","0.004","90","","4319","2","133","","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H60 N4 O4 -","- C44 H60 N4 O4 -","- C176 H240 N16 O16 -","4","1","","Tsue, Hirohito; Takahashi, Hiroki; Ishibashi, Koichi; Inoue, Rikako; Shimizu, Shun; Takahashi, Daisuke; Tamura, Rui","Crystallographic analysis of CO2 sorption state in seemingly nonporous molecular crystal of azacalix[4]arene tetramethyl ether exhibiting highly selective CO2 uptake","CrystEngComm","2012","14","3","1021","","10.1039/c1ce06126g","","","0.71075","MoKα","","0.1428","0.0916","","","0.1768","0.2041","","","","","","1.114","","","","has coordinates,has disorder","180402","2020-10-21","18:00:00",""
"7207189","12.836","0.008","16.215","0.009","21.46","0.013","90","","101.817","0.01","90","","4372","5","133","","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44.4 H60 N4 O4.8 -","- C44.4 H60 N4 O4.8 -","- C177.6 H240 N16 O19.2 -","4","1","","Tsue, Hirohito; Takahashi, Hiroki; Ishibashi, Koichi; Inoue, Rikako; Shimizu, Shun; Takahashi, Daisuke; Tamura, Rui","Crystallographic analysis of CO2 sorption state in seemingly nonporous molecular crystal of azacalix[4]arene tetramethyl ether exhibiting highly selective CO2 uptake","CrystEngComm","2012","14","3","1021","","10.1039/c1ce06126g","","","0.71075","MoKα","","0.2393","0.1433","","","0.3704","0.4355","","","","","","1.213","","","","has coordinates,has disorder","180402","2020-10-21","18:00:00",""
"7207190","6.8976","0.0004","36.792","0.002","8.2696","0.0005","90","","106.286","0.003","90","","2014.4","0.2","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C36 H62 Cl4 Cu N4 O2 -","- C36 H62 Cl4 Cu N4 O2 -","- C72 H124 Cl8 Cu2 N8 O4 -","2","0.5","","Su, Chien-Cheng; Lee, Kwang-Ming","Ionic liquid crystal engineering of 3-carbamoyl-1-alkylpyridin-1-ium tetrachlorocuprate(II) and tetrachlorozincate(II) salts","CrystEngComm","2012","14","4","1283","","10.1039/c1ce06160g","","","0.71073","MoKα","","0.0523","0.0353","","","0.0852","0.1287","","","","","","1.096","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207191","6.8484","0.0003","36.7066","0.0014","8.289","0.0003","90","","105.25","0.002","90","","2010.33","0.14","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C36 H62 Cl4 N4 O2 Zn -","- C36 H62 Cl4 N4 O2 Zn -","- C72 H124 Cl8 N8 O4 Zn2 -","2","0.5","","Su, Chien-Cheng; Lee, Kwang-Ming","Ionic liquid crystal engineering of 3-carbamoyl-1-alkylpyridin-1-ium tetrachlorocuprate(II) and tetrachlorozincate(II) salts","CrystEngComm","2012","14","4","1283","","10.1039/c1ce06160g","","","1.54178","CuKα","","0.0286","0.0277","","","0.0738","0.0745","","","","","","1.036","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207192","10.1143","0.0005","20.9362","0.0013","14.6323","0.0007","90","","104.153","0.001","90","","3004.4","0.3","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 I N2 S -","- C14 H17 I N2 S -","- C112 H136 I8 N16 S8 -","8","2","","Li, Liang; Cui, Huijuan; Yang, Zhou; Tao, Xutang; Lin, Xinsong; Ye, Ning; Yang, Huai","Synthesis and characterization of thienyl-substituted pyridinium salts for second-order nonlinear optics","CrystEngComm","2012","14","3","1031","","10.1039/c1ce06177a","","","0.71073","MoKα","","0.0285","0.0219","","","0.0452","0.0467","","","","","","1.038","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207193","9.621","0.007","15.234","0.011","13.948","0.01","90","","93.849","0.014","90","","2040","3","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H24 N2 O5 S2 -","- C20 H24 N2 O5 S2 -","- C80 H96 N8 O20 S8 -","4","2","","Li, Liang; Cui, Huijuan; Yang, Zhou; Tao, Xutang; Lin, Xinsong; Ye, Ning; Yang, Huai","Synthesis and characterization of thienyl-substituted pyridinium salts for second-order nonlinear optics","CrystEngComm","2012","14","3","1031","","10.1039/c1ce06177a","","","0.71073","MoKα","","0.0713","0.0637","","","0.1321","0.1368","","","","","","1.091","","","","has coordinates,has disorder","180402","2020-10-21","18:00:00",""
"7207194","7.965","0.003","16.675","0.005","17.439","0.006","90","","100.69","0.005","90","","2276","1.3","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H29 N3 O4 S2 -","- C22 H27 N3 O4 S2 -","- C88 H108 N12 O16 S8 -","4","1","","Li, Liang; Cui, Huijuan; Yang, Zhou; Tao, Xutang; Lin, Xinsong; Ye, Ning; Yang, Huai","Synthesis and characterization of thienyl-substituted pyridinium salts for second-order nonlinear optics","CrystEngComm","2012","14","3","1031","","10.1039/c1ce06177a","","","0.71073","MoKα","","0.0657","0.0562","","","0.1501","0.1561","","","","","","1.162","","","","has coordinates,has disorder","180402","2020-10-21","18:00:00",""
"7207195","6.9177","0.0005","7.2342","0.0004","12.4632","0.001","78.221","0.002","89.685","0.002","64.885","0.005","550.53","0.07","200","2","200","2","","","","","","","synthesis as described","4","P -1","-P 1","2","HT18A","","","- C9 H10 Co O9 -","- C9 H10 Co O9 -","- C18 H20 Co2 O18 -","2","1","","Chung, Huey-Ting; Yang, Chen-I; Yang, En-Che; Peng, Chia-Chien; Tsai, Hui-Lien; Liu, Yen-Hsiang","Metamagnetic behavior and moisture-absorption induced reversible network assembly of a cobalt-1,2,4-benzenetricarboxylate supramolecular network","CrystEngComm","2012","14","4","1317","","10.1039/c1ce06182h","","x-ray","0.71073","MoKα","","0.108","0.0896","","","0.2266","0.2399","","","","","","1.158","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207196","16.125","0.003","25.632","0.005","30.125","0.006","90","","95.55","0.03","90","","12393","4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C202 H324 Ca4 Cu6 N16 O49 S10 -","- C204 H312 Ca4 Cu6 N16 O49 S10 -","- C408 H624 Ca8 Cu12 N32 O98 S20 -","2","0.5","","Ferrando-Soria, Jesús; Rood, Marcus T. M.; Julve, Miguel; Lloret, Francesc; Journaux, Yves; Pasán, Jorge; Ruiz-Pérez, Catalina; Fabelo, Oscar; Pardo, Emilio","Influence of the alkaline earth cations on the topology of MII/CuII mixed-metal‒organic frameworks (M = Ca, Sr and Ba)","CrystEngComm","2012","14","3","761","","10.1039/c1ce06203d","","x-ray","0.7379","monocromaticsynchrotron","","0.1236","0.1131","","","0.359","0.3768","","","","","","1.637","","","","has coordinates,has disorder","180402","2020-10-21","18:00:00",""
"7207197","17.731","0.004","15.981","0.003","28.505","0.006","90","","90","","90","","8077","3","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C76 H120 Cu2 N6 O14 S2 Sr -","- C76 H120 Cu2 N6 O14 S2 Sr -","- C304 H480 Cu8 N24 O56 S8 Sr4 -","4","0.5","","Ferrando-Soria, Jesús; Rood, Marcus T. M.; Julve, Miguel; Lloret, Francesc; Journaux, Yves; Pasán, Jorge; Ruiz-Pérez, Catalina; Fabelo, Oscar; Pardo, Emilio","Influence of the alkaline earth cations on the topology of MII/CuII mixed-metal‒organic frameworks (M = Ca, Sr and Ba)","CrystEngComm","2012","14","3","761","","10.1039/c1ce06203d","","x-ray","0.7379","monocromaticsynchrotron","","0.0579","0.0551","","","0.1576","0.1602","","","","","","1.073","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207198","18.512","0.004","15.92","0.003","27.967","0.006","90","","90","","90","","8242","3","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C76 H120 Ba Cu2 N6 O14 S2 -","- C76 H120 Ba Cu2 N6 O14 S2 -","- C304 H480 Ba4 Cu8 N24 O56 S8 -","4","0.5","","Ferrando-Soria, Jesús; Rood, Marcus T. M.; Julve, Miguel; Lloret, Francesc; Journaux, Yves; Pasán, Jorge; Ruiz-Pérez, Catalina; Fabelo, Oscar; Pardo, Emilio","Influence of the alkaline earth cations on the topology of MII/CuII mixed-metal‒organic frameworks (M = Ca, Sr and Ba)","CrystEngComm","2012","14","3","761","","10.1039/c1ce06203d","","x-ray","0.7379","monocromaticsynchrotron","","0.0933","0.0849","","","0.2494","0.2585","","","","","","1.09","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207199","8.375","0.004","11.257","0.005","15.807","0.006","69.947","0.007","75.476","0.007","84.278","0.007","1355","1","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H27 N6 O9 -","- C27 H27 N6 O9 -","- C54 H54 N12 O18 -","2","1","","Dai, Fangna; Sun, Di; Sun, Wenming; Liu, Yun-Qi; Sun, Daofeng","Conformation variation of tris(2-carboxyethyl)isocyanuric acid induced by cocrystallized N-heterocyclic organic molecules","CrystEngComm","2012","14","4","1376","","10.1039/c1ce06209c","","","0.71073","MoKα","","0.0886","0.0637","","","0.1807","0.2101","","","","","","1.028","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207200","14.348","0.012","8.033","0.007","35.93","0.03","90","","90","","90","","4141","6","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H21 N9 O9 -","- C15 H21 N9 O9 -","- C120 H168 N72 O72 -","8","1","","Dai, Fangna; Sun, Di; Sun, Wenming; Liu, Yun-Qi; Sun, Daofeng","Conformation variation of tris(2-carboxyethyl)isocyanuric acid induced by cocrystallized N-heterocyclic organic molecules","CrystEngComm","2012","14","4","1376","","10.1039/c1ce06209c","","","0.71073","MoKα","","0.1666","0.072","","","0.1182","0.1513","","","","","","1.002","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207201","8.6775","0.0007","15.7719","0.0012","10.9612","0.0008","90","","96.066","0.001","90","","1491.8","0.2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 N3 O9 -","- C12 H15 N3 O9 -","- C48 H60 N12 O36 -","4","1","","Dai, Fangna; Sun, Di; Sun, Wenming; Liu, Yun-Qi; Sun, Daofeng","Conformation variation of tris(2-carboxyethyl)isocyanuric acid induced by cocrystallized N-heterocyclic organic molecules","CrystEngComm","2012","14","4","1376","","10.1039/c1ce06209c","","","0.71073","MoKα","","0.0466","0.0393","","","0.1062","0.1121","","","","","","1.06","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207202","10.953","0.002","23.056","0.005","19.811","0.004","90","","99.88","0.03","90","","4928.7","1.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H45 Cu2 O40 Pr2 -","- C25 H5 Cu2 O40 Pr2 -","- C100 H20 Cu8 O160 Pr8 -","4","1","","Fabelo, Oscar; Cañadillas-Delgado, Laura; Pasán, Jorge; Díaz-Gallifa, Pau; Labrador, Ana; Ruiz-Pérez, Catalina","Dryness sensitive porous 3d‒4f metal‒organic framework with unusual dynamic behaviour","CrystEngComm","2012","14","3","765","","10.1039/c1ce06210g","","x-ray","0.7383","synchrotron","","0.0557","0.0494","","","0.1544","0.1633","","","","","","1.033","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207203","10.906","0.002","20.212","0.004","19.769","0.004","90","","99.22","0.03","90","","4301.4","1.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H45 Cu2 O40 Pr2 -","- C25 H5 Cu2 O40 Pr2 -","- C100 H20 Cu8 O160 Pr8 -","4","1","","Fabelo, Oscar; Cañadillas-Delgado, Laura; Pasán, Jorge; Díaz-Gallifa, Pau; Labrador, Ana; Ruiz-Pérez, Catalina","Dryness sensitive porous 3d‒4f metal‒organic framework with unusual dynamic behaviour","CrystEngComm","2012","14","3","765","","10.1039/c1ce06210g","","x-ray","0.7513","synchrotron","","0.05","0.0476","","","0.1374","0.1396","","","","","","1.093","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207204","10.92","0.002","20.369","0.004","19.792","0.004","90","","99.59","0.03","90","","4340.8","1.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H45 Cu O40 Pr2 -","- C25 H5 Cu2 O40 Pr2 -","- C100 H20 Cu8 O160 Pr8 -","4","1","","Fabelo, Oscar; Cañadillas-Delgado, Laura; Pasán, Jorge; Díaz-Gallifa, Pau; Labrador, Ana; Ruiz-Pérez, Catalina","Dryness sensitive porous 3d‒4f metal‒organic framework with unusual dynamic behaviour","CrystEngComm","2012","14","3","765","","10.1039/c1ce06210g","","x-ray","0.7388","synchrotron","","0.0472","0.0453","","","0.1302","0.1327","","","","","","1.033","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207205","25.745","0.006","9.538","0.002","3.9843","0.001","90","","95.716","0.004","90","","973.5","0.4","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C7 H5 Br2 Cu2 N2 -","- C7 H5 Br2 Cu2 N2 -","- C28 H20 Br8 Cu8 N8 -","4","0.5","","Feng, Sisi; Lv, Haigang; Li, Zhongping; Feng, Guoqin; Lu, Liping; Zhu, Miaoli","The first example of rhombic dodecahedral CuBr clusters in a novel mixed-valence Cu(i,ii)‒benzimidazole complex","CrystEngComm","2012","14","1","98","","10.1039/c1ce06215h","","","0.71073","MoKα","","0.081","0.057","","","0.1604","0.19","","","","","","1.127","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207206","8.031","0.002","8.682","0.002","19.335","0.005","98.961","0.006","93.476","0.011","99.983","0.007","1306.2","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","poly(tricadmium bis(1,2-bis(imidazol-1'-yl)ethane) (1,4- bis((pyridinium-4-carboxylate)methyl)benzene) (u-Br)tetrabromide bis(N,N-Dimethylformamide))","","","- C21 H25 Br3 Cd1.5 N6 O3 -","- C21 H25 Br3 Cd1.5 N6 O3 -","- C42 H50 Br6 Cd3 N12 O6 -","2","1","","Li, Xiaoju; Guo, Xiaofang; Weng, XiuLan; Lin, Shen","Two novel 2D cadmium(ii) MOFs based on flexible bis(imidazolyl) and zwitterionic dicarboxylate ligands","CrystEngComm","2012","14","4","1412","","10.1039/c1ce06216f","","","0.71073","MoKα","","0.0351","0.0283","","","0.0685","0.0721","","","","","","1.03","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207207","16.592","0.005","10.452","0.003","16.77","0.005","90","","90.42","0.007","90","","2908.2","1.5","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","poly(Dicadmium bis(1,4-bis(imidazol-1'-yl)butane)bis(u-bromide)dibromide)","","","- C20 H28 Br4 Cd2 N8 O0 -","- C20 H28 Br4 Cd2 N8 -","- C80 H112 Br16 Cd8 N32 -","4","1","","Li, Xiaoju; Guo, Xiaofang; Weng, XiuLan; Lin, Shen","Two novel 2D cadmium(ii) MOFs based on flexible bis(imidazolyl) and zwitterionic dicarboxylate ligands","CrystEngComm","2012","14","4","1412","","10.1039/c1ce06216f","","","0.71073","MoKα","","0.0548","0.0383","","","0.0825","0.0901","","","","","","1.07","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207208","18.9009","0.0005","18.9009","0.0005","10.257","0.0003","90","","90","","90","","3664.25","0.17","293","2","293","2","","","","","","","","5","P 42/m n m","-P 4n 2n","136","","","","- C22 H26 Be4 N2 O16 -","- C18 H10 Be4 O16 -","- C72 H40 Be16 O64 -","4","0.25","","Kang, Maoping; Luo, Daibing; Luo, Xiuchao; Chen, Ziyi; Lin, Zhien","Crystalline beryllium carboxylate frameworks with rutile-type and cubic-C3N4 topologies","CrystEngComm","2012","14","1","95","","10.1039/c1ce06224g","","","0.71073","MoKα","","0.1312","0.0799","","","0.2405","0.2676","","","","","","1.024","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207209","19.305","0.0002","19.305","0.0002","19.305","0.0002","90","","90","","90","","7194.65","0.13","293","2","293","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- C48 H60 Be3 N6 O24 -","- C36 H12 Be3 O24 -","- C144 H48 Be12 O96 -","4","0.0833333","","Kang, Maoping; Luo, Daibing; Luo, Xiuchao; Chen, Ziyi; Lin, Zhien","Crystalline beryllium carboxylate frameworks with rutile-type and cubic-C3N4 topologies","CrystEngComm","2012","14","1","95","","10.1039/c1ce06224g","","","0.71073","MoKα","","0.078","0.0711","","","0.2169","0.2216","","","","","","1.234","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207210","23.695","0.009","8.371","0.003","15.078","0.006","90","","98.54","0.04","90","","2958","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H36 N4 O4 P2 S4 -","- C20 H36 N4 O4 P2 S4 -","- C80 H144 N16 O16 P8 S16 -","4","0.5","","Babashkina, Maria G.; Safin, Damir A.; Robeyns, Koen; Brzuszkiewicz, Anna; Kozlowski, Henryk; Garcia, Yann","Thiophosphorylated bis-thioureas for competitive bulk liquid membrane transport of some metal ions","CrystEngComm","2012","14","4","1324","","10.1039/c1ce06244a","","","0.71073","MoKα","","0.0622","0.0386","","","0.086","0.0908","","","","","","1.035","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207211","7.697","0.002","8.166","0.002","12.5","0.004","73.39","0.02","79.86","0.02","80.27","0.02","735.2","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H36 N4 O4 P2 S4 -","- C20 H36 N4 O4 P2 S4 -","- C20 H36 N4 O4 P2 S4 -","1","0.5","","Babashkina, Maria G.; Safin, Damir A.; Robeyns, Koen; Brzuszkiewicz, Anna; Kozlowski, Henryk; Garcia, Yann","Thiophosphorylated bis-thioureas for competitive bulk liquid membrane transport of some metal ions","CrystEngComm","2012","14","4","1324","","10.1039/c1ce06244a","","","0.71073","MoKα","","0.0296","0.0271","","","0.0708","0.0718","","","","","","1.109","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207212","8.511","","23.619","0.009","19.907","0.009","90","","109.35","0.04","90","","3776","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H49 N4 O4 P2 S4 -","- C30 H49 N4 O4 P2 S4 -","- C120 H196 N16 O16 P8 S16 -","4","1","","Babashkina, Maria G.; Safin, Damir A.; Robeyns, Koen; Brzuszkiewicz, Anna; Kozlowski, Henryk; Garcia, Yann","Thiophosphorylated bis-thioureas for competitive bulk liquid membrane transport of some metal ions","CrystEngComm","2012","14","4","1324","","10.1039/c1ce06244a","","","0.71073","MoKα","","0.1617","0.0859","","","0.1684","0.1819","","","","","","1.123","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207213","21.051","0.011","15.013","0.008","15.837","0.008","90","","131.65","0.03","90","","3740","4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26.83 H41.66 Cl1.67 N4 O5 P2 S4 -","- C26.833 H41.664 Cl1.666 N4 O5 P2 S4 -","- C107.332 H166.656 Cl6.664 N16 O20 P8 S16 -","4","0.5","","Babashkina, Maria G.; Safin, Damir A.; Robeyns, Koen; Brzuszkiewicz, Anna; Kozlowski, Henryk; Garcia, Yann","Thiophosphorylated bis-thioureas for competitive bulk liquid membrane transport of some metal ions","CrystEngComm","2012","14","4","1324","","10.1039/c1ce06244a","","","0.71073","MoKα","","0.1396","0.074","","","0.2027","0.2232","","","","","","0.985","","","","has coordinates,has disorder","180403","2020-10-21","18:00:00",""
"7207214","45.212","0.002","8.3601","0.0004","19.7758","0.002","90","","105.821","0.007","90","","7191.6","0.9","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H54 N4 O4 P2 S4 -","- C27 H54 N4 O4 P2 S4 -","- C216 H432 N32 O32 P16 S32 -","8","1","","Babashkina, Maria G.; Safin, Damir A.; Robeyns, Koen; Brzuszkiewicz, Anna; Kozlowski, Henryk; Garcia, Yann","Thiophosphorylated bis-thioureas for competitive bulk liquid membrane transport of some metal ions","CrystEngComm","2012","14","4","1324","","10.1039/c1ce06244a","","","0.71073","MoKα","","0.0804","0.0662","","","0.1638","0.1732","","","","","","1.047","","","","has coordinates,has disorder","180403","2020-10-21","18:00:00",""
"7207215","8.307","0.003","16.535","0.006","20.361","0.007","90","","105.04","0.02","90","","2700.9","1.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H26 Cl2 N4 O4 S2 -","- C25 H26 Cl2 N4 O4 S2 -","- C100 H104 Cl8 N16 O16 S8 -","4","1","","Babashkina, Maria G.; Safin, Damir A.; Robeyns, Koen; Brzuszkiewicz, Anna; Kozlowski, Henryk; Garcia, Yann","Thiophosphorylated bis-thioureas for competitive bulk liquid membrane transport of some metal ions","CrystEngComm","2012","14","4","1324","","10.1039/c1ce06244a","","","0.71073","MoKα","","0.0698","0.0515","","","0.1525","0.1604","","","","","","1.086","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207216","8.651","0.0017","8.653","0.0017","8.658","0.0017","61.51","0.03","61.51","0.03","61.51","0.03","473.8","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C5 H4 Ag3 N7 -","- C5 H4 Ag3 N7 -","- C10 H8 Ag6 N14 -","2","1","","Ling, Yun; Zhai, Fu-Peng; Deng, Ming-Li; Wu, Dong; Chen, Zhen-Xia; Liu, Xiao-Feng; Zhou, Ya-Ming; Weng, Lin-Hong","Solvothermal in situ synthesis of cyanide-containing ternary silver(I) coordination polymers and their phosphorescent properties","CrystEngComm","2012","14","4","1425","","10.1039/c1ce06246h","","","0.71073","MoKα","","0.0533","0.0452","","","0.1001","0.1027","","","","","","1.222","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207217","14.331","0.002","8.8966","0.0014","14.657","0.002","90","","103.572","0.002","90","","1816.5","0.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H20 Ag3 N7 -","- C13 H20 Ag3 N7 -","- C52 H80 Ag12 N28 -","4","0.5","","Ling, Yun; Zhai, Fu-Peng; Deng, Ming-Li; Wu, Dong; Chen, Zhen-Xia; Liu, Xiao-Feng; Zhou, Ya-Ming; Weng, Lin-Hong","Solvothermal in situ synthesis of cyanide-containing ternary silver(I) coordination polymers and their phosphorescent properties","CrystEngComm","2012","14","4","1425","","10.1039/c1ce06246h","","","0.71073","MoKα","","0.0265","0.024","","","0.052","0.0541","","","","","","1.071","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207218","9.134","0.004","18.973","0.007","15.354","0.006","90","","91.718","0.006","90","","2659.6","1.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H28 Ag4 N8 -","- C18 H28 Ag4 N8 -","- C72 H112 Ag16 N32 -","4","1","","Ling, Yun; Zhai, Fu-Peng; Deng, Ming-Li; Wu, Dong; Chen, Zhen-Xia; Liu, Xiao-Feng; Zhou, Ya-Ming; Weng, Lin-Hong","Solvothermal in situ synthesis of cyanide-containing ternary silver(I) coordination polymers and their phosphorescent properties","CrystEngComm","2012","14","4","1425","","10.1039/c1ce06246h","","","0.71073","MoKα","","0.1117","0.0586","","","0.1508","0.2015","","","","","","1.024","","","","has coordinates,has disorder","180403","2020-10-21","18:00:00",""
"7207219","16.821","0.005","10.432","0.003","27.753","0.009","90","","90","","90","","4870","3","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C17 H28 Ag3 N7 -","- C17 H28 Ag3 N7 -","- C136 H224 Ag24 N56 -","8","1","","Ling, Yun; Zhai, Fu-Peng; Deng, Ming-Li; Wu, Dong; Chen, Zhen-Xia; Liu, Xiao-Feng; Zhou, Ya-Ming; Weng, Lin-Hong","Solvothermal in situ synthesis of cyanide-containing ternary silver(I) coordination polymers and their phosphorescent properties","CrystEngComm","2012","14","4","1425","","10.1039/c1ce06246h","","","0.71073","MoKα","","0.0987","0.0697","","","0.195","0.2178","","","","","","1.108","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207220","6.285","0.0003","8.3874","0.0004","27.2578","0.0013","90","","90","","90","","1436.89","0.12","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 N O2 -","- C18 H17 N O2 -","- C72 H68 N4 O8 -","4","1","","Kobayashi, Yuhei; Kinuta, Takafumi; Sato, Tomohiro; Harada, Takunori; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Polymorphic supramolecular organic fluorophore composed of 2-naphthalenecarboxylic acid and benzylamine","CrystEngComm","2012","14","4","1468","","10.1039/c1ce06262j","","","0.71073","MoKα","","0.0354","0.0337","","","0.0883","0.0896","","","","","","1.1","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207221","9.607","0.002","5.9725","0.0014","13.838","0.004","90","","110.434","0.003","90","","744","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H17 N O2 -","- C18 H17 N O2 -","- C36 H34 N2 O4 -","2","1","","Kobayashi, Yuhei; Kinuta, Takafumi; Sato, Tomohiro; Harada, Takunori; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Polymorphic supramolecular organic fluorophore composed of 2-naphthalenecarboxylic acid and benzylamine","CrystEngComm","2012","14","4","1468","","10.1039/c1ce06262j","","","0.71075","MoKα","","0.0479","0.0463","","","0.1182","0.1198","","","","","","1.046","","","","has coordinates","287926","2023-12-01","07:54:24",""
"7207222","12.633","0.002","6.0545","0.0011","31.019","0.006","90","","102.008","0.003","90","","2320.6","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H25 N O4 -","- C29 H25 N O4 -","- C116 H100 N4 O16 -","4","1","","Kobayashi, Yuhei; Kinuta, Takafumi; Sato, Tomohiro; Harada, Takunori; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Polymorphic supramolecular organic fluorophore composed of 2-naphthalenecarboxylic acid and benzylamine","CrystEngComm","2012","14","4","1468","","10.1039/c1ce06262j","","","0.71075","MoKα","","0.0467","0.042","","","0.1104","0.1147","","","","","","1.059","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207223","8.9656","0.0018","9.0023","0.0018","10.242","0.002","86.35","0.03","74.79","0.03","81.44","0.03","788.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H13 Cd N3 O8 -","- C13 H13 Cd N3 O8 -","- C26 H26 Cd2 N6 O16 -","2","1","","Lu, Xinyi; Ye, Junwei; Li, Wei; Gong, Weitao; Yang, Lijian; Lin, Yuan; Ning, Guiling","Auxiliary ligand-directed synthesis of cadmium(ii) and zinc(ii) complexes from 1-D chains to 3-D architectures with 5-nitroisophthalate","CrystEngComm","2012","14","4","1337","","10.1039/c1ce06268a","","","0.71073","MoKα","","0.0256","0.0219","","","0.0641","0.066","","","","","","1.03","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207224","8.4601","0.0005","10.0552","0.0006","12.9572","0.0007","68.863","0.004","84.699","0.004","87.698","0.004","1023.66","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H17 Cd N5 O7 -","- C18 H17 Cd N5 O7 -","- C36 H34 Cd2 N10 O14 -","2","1","","Lu, Xinyi; Ye, Junwei; Li, Wei; Gong, Weitao; Yang, Lijian; Lin, Yuan; Ning, Guiling","Auxiliary ligand-directed synthesis of cadmium(ii) and zinc(ii) complexes from 1-D chains to 3-D architectures with 5-nitroisophthalate","CrystEngComm","2012","14","4","1337","","10.1039/c1ce06268a","","","0.71073","MoKα","","0.0707","0.0681","","","0.1881","0.192","","","","","","1.01","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207225","9.4852","0.0019","11.06","0.002","11.768","0.002","90.17","0.03","93.31","0.03","101.11","0.03","1209.3","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 N4 O14 Zn2 -","- C21 H12 N4 O14 Zn2 -","- C42 H24 N8 O28 Zn4 -","2","1","","Lu, Xinyi; Ye, Junwei; Li, Wei; Gong, Weitao; Yang, Lijian; Lin, Yuan; Ning, Guiling","Auxiliary ligand-directed synthesis of cadmium(ii) and zinc(ii) complexes from 1-D chains to 3-D architectures with 5-nitroisophthalate","CrystEngComm","2012","14","4","1337","","10.1039/c1ce06268a","","","0.71073","MoKα","","0.0487","0.0373","","","0.1136","0.1251","","","","","","0.997","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207226","12.2062","0.0006","14.1995","0.0007","15.5626","0.0008","65.057","0.002","82.427","0.002","66.15","0.002","2234.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H24 N6 O28 Zn5 -","- C37 H24 N6 O28 Zn5 -","- C74 H48 N12 O56 Zn10 -","2","1","","Lu, Xinyi; Ye, Junwei; Li, Wei; Gong, Weitao; Yang, Lijian; Lin, Yuan; Ning, Guiling","Auxiliary ligand-directed synthesis of cadmium(ii) and zinc(ii) complexes from 1-D chains to 3-D architectures with 5-nitroisophthalate","CrystEngComm","2012","14","4","1337","","10.1039/c1ce06268a","","","0.71073","MoKα","","0.0288","0.0246","","","0.0623","0.0644","","","","","","1.04","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207227","12.608","0.004","14.324","0.005","15.693","0.005","63.256","0.004","81.245","0.004","64.466","0.003","2280.7","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H26 N6 O29 Zn5 -","- C37 H26 N6 O29 Zn5 -","- C74 H52 N12 O58 Zn10 -","2","1","","Lu, Xinyi; Ye, Junwei; Li, Wei; Gong, Weitao; Yang, Lijian; Lin, Yuan; Ning, Guiling","Auxiliary ligand-directed synthesis of cadmium(ii) and zinc(ii) complexes from 1-D chains to 3-D architectures with 5-nitroisophthalate","CrystEngComm","2012","14","4","1337","","10.1039/c1ce06268a","","","0.71073","MoKα","","0.056","0.0413","","","0.1091","0.1201","","","","","","1.035","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207228","34.433","0.012","12.141","0.003","30.332","0.008","90","","106.958","0.007","90","","12129","6","113","2","113","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C108 H120 N16 Na8 Ni4 O48 -","- C108 H90 N16 Na8 Ni4 O48 -","- C432 H360 N64 Na32 Ni16 O192 -","4","0.5","","Li, Xiao-Zeng; Hao, Peng-Peng; Wang, Dan; Zhang, Wen-Qin; Zhu, Li-Na","New metalloligands suitable for the construction of polynuclear complexes and coordination polymers with exposed metal sites","CrystEngComm","2012","14","2","366","","10.1039/c1ce06273e","","","0.71073","MoKα","","0.0917","0.0806","","","0.2","0.2068","","","","","","1.141","","","","has coordinates,has disorder","180403","2020-10-21","18:00:00",""
"7207229","15.932","0.003","8.8699","0.0019","19.24","0.004","90","","91.679","0.004","90","","2717.7","1","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 Fe N4 Ni O11 -","- C26 H20 Fe N4 Ni O11 -","- C104 H80 Fe4 N16 Ni4 O44 -","4","1","","Li, Xiao-Zeng; Hao, Peng-Peng; Wang, Dan; Zhang, Wen-Qin; Zhu, Li-Na","New metalloligands suitable for the construction of polynuclear complexes and coordination polymers with exposed metal sites","CrystEngComm","2012","14","2","366","","10.1039/c1ce06273e","","","0.71073","MoKα","","0.0509","0.0481","","","0.1434","0.1455","","","","","","1.065","","","","has coordinates,has disorder","180403","2020-10-21","18:00:00",""
"7207230","15.3667","0.001","9.0896","0.0006","24.9074","0.0012","90","","126.332","0.003","90","","2802.7","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 N4 Ni2 O12 -","- C26 H26 N4 Ni2 O12 -","- C104 H104 N16 Ni8 O48 -","4","1","","Li, Xiao-Zeng; Hao, Peng-Peng; Wang, Dan; Zhang, Wen-Qin; Zhu, Li-Na","New metalloligands suitable for the construction of polynuclear complexes and coordination polymers with exposed metal sites","CrystEngComm","2012","14","2","366","","10.1039/c1ce06273e","","","0.71073","MoKα","","0.0349","0.0276","","","0.0688","0.0726","","","","","","1.038","","","","has coordinates,has disorder","180403","2020-10-21","18:00:00",""
"7207231","8.9653","0.0018","15.482","0.003","19.932","0.004","90.78","0.03","91.84","0.03","91.97","0.03","2763.2","1","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H52 N8 Ni2 O26 Zn2 -","- C48 H52 N8 Ni2 O26 Zn2 -","- C96 H104 N16 Ni4 O52 Zn4 -","2","1","","Li, Xiao-Zeng; Hao, Peng-Peng; Wang, Dan; Zhang, Wen-Qin; Zhu, Li-Na","New metalloligands suitable for the construction of polynuclear complexes and coordination polymers with exposed metal sites","CrystEngComm","2012","14","2","366","","10.1039/c1ce06273e","","","0.71073","MoKα","","0.1016","0.062","","","0.1398","0.1735","","","","","","1.074","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207232","11.1075","0.0017","14.004","0.002","19.542","0.003","90","","92.756","0.003","90","","3036.2","0.8","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H30 Cd N6 Ni O10 -","- C30 H30 Cd N6 Ni O10 -","- C120 H120 Cd4 N24 Ni4 O40 -","4","1","","Li, Xiao-Zeng; Hao, Peng-Peng; Wang, Dan; Zhang, Wen-Qin; Zhu, Li-Na","New metalloligands suitable for the construction of polynuclear complexes and coordination polymers with exposed metal sites","CrystEngComm","2012","14","2","366","","10.1039/c1ce06273e","","","0.71073","MoKα","","0.0275","0.0221","","","0.0563","0.0581","","","","","","1.03","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207233","11.3958","0.0017","18.9334","0.0017","22.595","0.003","90","","96.522","0.003","90","","4843.6","1.1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H38 Cd2 N8 Ni2 O15 -","- C52 H36 Cd2 N8 Ni2 O15 -","- C208 H144 Cd8 N32 Ni8 O60 -","4","0.5","","Li, Xiao-Zeng; Hao, Peng-Peng; Wang, Dan; Zhang, Wen-Qin; Zhu, Li-Na","New metalloligands suitable for the construction of polynuclear complexes and coordination polymers with exposed metal sites","CrystEngComm","2012","14","2","366","","10.1039/c1ce06273e","","","0.71073","MoKα","","0.0613","0.0499","","","0.0968","0.1032","","","","","","1.11","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207234","9.3129","0.0004","13.062","0.0005","18.7085","0.0007","79.439","0.002","84.354","0.002","69.584","0.002","2095.25","0.15","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C31 H46 Cl2 N4 Ni O8 P2 S4 -","- C31 H46 Cl2 N4 Ni O8 P2 S4 -","- C62 H92 Cl4 N8 Ni2 O16 P4 S8 -","2","1","","Babashkina, Maria G.; Safin, Damir A.; Srebro, Monika; Kubisiak, Piotr; Mitoraj, Mariusz P.; Bolte, Michael; Garcia, Yann","Influence of CH2Cl2 for the structure stabilization of the NiII complex [Ni{6-MeO(O)CC6H4NHC(S)NP(S)(OiPr)2-1,5-S,S′}2]·CH2Cl2","CrystEngComm","2012","14","2","370","","10.1039/c1ce06322g","","","0.71073","MoKα","","0.0522","0.0333","","","0.0825","0.0919","","","","","","1.015","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207235","14.384","0.005","14.384","0.005","15.215","0.005","90","0.005","90","0.005","120","0.005","2726.2","1.6","98","2","98","2","","","","","","","","7","P 63","P 6c","173","","","","- C34 H42 B4 Cu4 F16 N12 O6 -","- C34 H42 B4 Cu4 F16 N12 O6 -","- C68 H84 B8 Cu8 F32 N24 O12 -","2","0.333333","","Maekawa, Masahiko; Tominaga, Toshi; Sugimoto, Kunihisa; Okubo, Takashi; Kuroda-Sowa, Takayoshi; Munakata, Megumu; Kitagawa, Susumu","Framework dimensionality of copper(i) coordination polymers of 4,4′-bipyrimidine controlled by anions and solvents","CrystEngComm","2012","14","4","1345","","10.1039/c1ce06328f","","","0.71069","MoKα","","0.0703","0.0685","","","0.1917","0.1941","","","","","","1.074","","","","has coordinates,has disorder","180403","2020-10-21","18:00:00",""
"7207236","18.673","0.003","18.673","0.003","18.673","0.003","90","","90","","90","","6510.9","1.8","118","2","118","2","","","","","","","","6","I a -3","-I 2b 2c 3","206","","","","- C24 H18 Cu3 F9 N12 Si2 -","- C24 H18 Cu3 F9.04 N12 Si1.5 -","- C192 H144 Cu24 F72.32 N96 Si12 -","8","0.166667","","Maekawa, Masahiko; Tominaga, Toshi; Sugimoto, Kunihisa; Okubo, Takashi; Kuroda-Sowa, Takayoshi; Munakata, Megumu; Kitagawa, Susumu","Framework dimensionality of copper(i) coordination polymers of 4,4′-bipyrimidine controlled by anions and solvents","CrystEngComm","2012","14","4","1345","","10.1039/c1ce06328f","","","0.7107","MoKα","","0.0727","0.0726","","","0.1728","0.1729","","","","","","1.422","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207237","14.897","0.009","5.819","0.003","17.441","0.01","90","","107.581","0.006","90","","1441.3","1.4","117","2","117","1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C10 H10 Cu2 N6 O6 -","- C10 H10 Cu2 N6 O6 -","- C40 H40 Cu8 N24 O24 -","4","1","","Maekawa, Masahiko; Tominaga, Toshi; Sugimoto, Kunihisa; Okubo, Takashi; Kuroda-Sowa, Takayoshi; Munakata, Megumu; Kitagawa, Susumu","Framework dimensionality of copper(i) coordination polymers of 4,4′-bipyrimidine controlled by anions and solvents","CrystEngComm","2012","14","4","1345","","10.1039/c1ce06328f","","","0.71073","MoKα","","0.0434","0.0317","","","0.0686","0.0718","","","","","","1.099","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207238","20.8073","0.0009","13.2133","0.0018","15.3486","0.0011","90","","132.126","0.002","90","","3129.7","0.5","108","2","108","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 Cl3 Cu3 N8 O12 -","- C20 H20 Cl3 Cu3 N8 O12 -","- C80 H80 Cl12 Cu12 N32 O48 -","4","0.5","","Maekawa, Masahiko; Tominaga, Toshi; Sugimoto, Kunihisa; Okubo, Takashi; Kuroda-Sowa, Takayoshi; Munakata, Megumu; Kitagawa, Susumu","Framework dimensionality of copper(i) coordination polymers of 4,4′-bipyrimidine controlled by anions and solvents","CrystEngComm","2012","14","4","1345","","10.1039/c1ce06328f","","","0.7107","MoKα","","0.087","0.057","","","0.132","0.1475","","","","","","1.068","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207239","20.8286","0.0007","12.9965","0.0005","15.3593","0.0005","90","","132.566","0.001","90","","3062.17","0.19","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 B3 Cu3 F12 N8 -","- C20 H20 B3 Cu3 F12 N8 -","- C80 H80 B12 Cu12 F48 N32 -","4","0.5","","Maekawa, Masahiko; Tominaga, Toshi; Sugimoto, Kunihisa; Okubo, Takashi; Kuroda-Sowa, Takayoshi; Munakata, Megumu; Kitagawa, Susumu","Framework dimensionality of copper(i) coordination polymers of 4,4′-bipyrimidine controlled by anions and solvents","CrystEngComm","2012","14","4","1345","","10.1039/c1ce06328f","","","0.7107","MoKα","","0.0418","0.0326","","","0.0719","0.0761","","","","","","1.057","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207240","25.317","0.012","9.877","0.005","26.864","0.012","90","","104.382","0.016","90","","6507","5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H33 Ag2 N8 O7 -","- C30 H33 Ag2 N8 O7 -","- C240 H264 Ag16 N64 O56 -","8","1","","Liu, Fu-Jing; Sun, Di; Hao, Hong-Jun; Huang, Rong-Bin; Zheng, Lan-Sun","3D →3D interpenetrated and 2D →3D polycatenated Ag(i) networks constructed from 1,4-bis(2-methylimidazol-1-ylmethyl)benzene and dicarboxylates","CrystEngComm","2012","14","2","379","","10.1039/c1ce06356a","","","0.71073","MoKα","","0.0755","0.0671","","","0.164","0.1698","","","","","","1.102","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207241","18.193","0.008","11.273","0.005","8.606","0.004","90","","91.271","0.008","90","","1764.6","1.4","273","2","273","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C36 H41 Ag2 N8 O6 -","- C36 H41 Ag2 N8 O6 -","- C72 H82 Ag4 N16 O12 -","2","0.5","","Liu, Fu-Jing; Sun, Di; Hao, Hong-Jun; Huang, Rong-Bin; Zheng, Lan-Sun","3D →3D interpenetrated and 2D →3D polycatenated Ag(i) networks constructed from 1,4-bis(2-methylimidazol-1-ylmethyl)benzene and dicarboxylates","CrystEngComm","2012","14","2","379","","10.1039/c1ce06356a","","","0.71073","MoKα","","0.0595","0.0543","","","0.1233","0.1262","","","","","","1.155","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207242","11.8301","0.0005","5.5761","0.0002","22.7922","0.0009","90","","100.493","0.002","90","","1478.36","0.1","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H8.9 Ca O6.45 S -","- C14 H8.9 Ca O6.45 S -","- C56 H35.6 Ca4 O25.8 S4 -","4","1","","Yeh, Chun-Ting; Lin, Wei-Cheng; Lo, Sheng-Han; Kao, Ching-Che; Lin, Chia-Her; Yang, Chun-Chuen","Microwave synthesis and gas sorption of calcium and strontium metal‒organic frameworks with high thermal stability","CrystEngComm","2012","14","4","1219","","10.1039/c2ce05875h","","","0.71073","MoKα","","0.0488","0.0393","","","0.1261","0.1342","","","","","","1.18","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207243","12.1722","0.0005","5.7277","0.0002","22.9034","0.0009","90","","98.857","0.002","90","","1577.75","0.11","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H8.4 O6.2 S Sr -","- C14 H8.4 O6.2 S Sr -","- C56 H33.6 O24.8 S4 Sr4 -","4","1","","Yeh, Chun-Ting; Lin, Wei-Cheng; Lo, Sheng-Han; Kao, Ching-Che; Lin, Chia-Her; Yang, Chun-Chuen","Microwave synthesis and gas sorption of calcium and strontium metal‒organic frameworks with high thermal stability","CrystEngComm","2012","14","4","1219","","10.1039/c2ce05875h","","","0.71073","MoKα","","0.0445","0.0316","","","0.0917","0.0976","","","","","","1.075","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207244","11.7361","0.001","5.5499","0.0004","22.819","0.0018","90","","100.999","0.004","90","","1459","0.2","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H8 Ca O6 S -","- C14 H8 Ca O6 S -","- C56 H32 Ca4 O24 S4 -","4","1","","Yeh, Chun-Ting; Lin, Wei-Cheng; Lo, Sheng-Han; Kao, Ching-Che; Lin, Chia-Her; Yang, Chun-Chuen","Microwave synthesis and gas sorption of calcium and strontium metal‒organic frameworks with high thermal stability","CrystEngComm","2012","14","4","1219","","10.1039/c2ce05875h","","","0.71073","MoKα","","0.0596","0.0428","","","0.1072","0.117","","","","","","1.037","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207245","12.1704","0.0005","5.7317","0.0003","22.8977","0.0009","90","","98.851","0.002","90","","1578.26","0.12","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H8 O6 S Sr -","- C14 H8 O6 S Sr -","- C56 H32 O24 S4 Sr4 -","4","1","","Yeh, Chun-Ting; Lin, Wei-Cheng; Lo, Sheng-Han; Kao, Ching-Che; Lin, Chia-Her; Yang, Chun-Chuen","Microwave synthesis and gas sorption of calcium and strontium metal‒organic frameworks with high thermal stability","CrystEngComm","2012","14","4","1219","","10.1039/c2ce05875h","","","0.71073","MoKα","","0.0566","0.0344","","","0.0952","0.1057","","","","","","1.057","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207246","3.86154","0.00009","22.1115","0.0007","27.1691","0.0007","67.429","0.003","88.114","0.002","87.127","0.002","2139.2","0.11","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C57 H48 Br3 N3 -","- C39 H24 Br3 N3 -","- C78 H48 Br6 N6 -","2","1","","Berger, Ricarda; Hauser, Jürg; Labat, Gaël; Weber, Edwin; Hulliger, Jürg","New symmetrically substituted 1,3,5-triazines as host compounds for channel-type inclusion formation","CrystEngComm","2012","14","3","768","","10.1039/c2ce06034e","","","0.71073","MoKα","","0.1685","0.1229","","","0.3324","0.3607","","","","","","1.118","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207247","39.9115","0.0007","3.86753","0.00007","46.725","0.0007","90","","103.615","0.0015","90","","7009.8","0.2","173","2","173","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C44.77 H31.21 Br3 N3 -","- C44.768 H31.21 Br3 N3 -","- C358.144 H249.68 Br24 N24 -","8","1","","Berger, Ricarda; Hauser, Jürg; Labat, Gaël; Weber, Edwin; Hulliger, Jürg","New symmetrically substituted 1,3,5-triazines as host compounds for channel-type inclusion formation","CrystEngComm","2012","14","3","768","","10.1039/c2ce06034e","","","0.71073","MoKα","","0.0886","0.0805","","","0.2533","0.2623","","","","","","1.034","","","","has coordinates,has disorder","180403","2020-10-21","18:00:00",""
"7207248","39.8459","0.0011","3.8434","0.0001","46.6728","0.0018","90","","104.398","0.001","90","","6923.2","0.4","90","2","90","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C43.8 H29.49 Br3 N3 -","- C43.802 H29.488 Br3 N3 -","- C350.416 H235.904 Br24 N24 -","8","1","","Berger, Ricarda; Hauser, Jürg; Labat, Gaël; Weber, Edwin; Hulliger, Jürg","New symmetrically substituted 1,3,5-triazines as host compounds for channel-type inclusion formation","CrystEngComm","2012","14","3","768","","10.1039/c2ce06034e","","","0.71073","MoKα","","0.0881","0.0581","","","0.1421","0.1567","","","","","","1.028","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207249","7.8884","0.0016","9.6713","0.0019","25.38","0.005","82.76","0.03","89.58","0.02","68.29","0.03","1783","0.7","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H27 N6 O17.5 -","- C38 H26 N6 O17.5 -","- C76 H52 N12 O35 -","2","1","","Fu, Zhiyong; Zhang, Jie; Zeng, Yu; Tan, Yi; Liao, Shijun; Chen, Hengjun; Dai, Jingcao","Synthesis and structure of a mixed crystal containing tris(4-pyridiniumyl)-1,3,5-triazine and benzenetetracarboxylate ions: constructing a new photochromic molecular system via self-assembly","CrystEngComm","2012","14","3","786","","10.1039/c2ce06048e","","","0.71073","MoKα","","0.0937","0.0517","","","0.1413","0.1834","","","","","","1.05","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207250","7.8201","0.0014","9.6697","0.0018","25.351","0.005","82.651","0.003","89.211","0.003","68.329","0.003","1765.7","0.6","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H27 N6 O17.5 -","- C38 H26 N6 O17.5 -","- C76 H52 N12 O35 -","2","1","","Fu, Zhiyong; Zhang, Jie; Zeng, Yu; Tan, Yi; Liao, Shijun; Chen, Hengjun; Dai, Jingcao","Synthesis and structure of a mixed crystal containing tris(4-pyridiniumyl)-1,3,5-triazine and benzenetetracarboxylate ions: constructing a new photochromic molecular system via self-assembly","CrystEngComm","2012","14","3","786","","10.1039/c2ce06048e","","","0.71073","MoKα","","0.0719","0.0524","","","0.1507","0.1663","","","","","","1.056","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207251","15.262","0.003","13.046","0.003","13.058","0.003","90","","102.54","0.03","90","","2537.9","1","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H26 Cu N10 O5 -","- C22 H26 Cu N10 O5 -","- C88 H104 Cu4 N40 O20 -","4","2","","Wu, Jing-Yun; Huang, Sheng-Ming; Huang, Yun-Chieh; Lu, Kuang-Lieh","Hydrogen bond-organized two-fold interpenetrating homochiral pcu net","CrystEngComm","2012","14","4","1189","","10.1039/c2ce06055h","","","0.71073","MoKα","","0.0739","0.0456","","","0.0931","0.112","","","","","","1.039","","","","has coordinates,has disorder","180403","2020-10-21","18:00:00",""
"7207252","29.5578","0.0014","10.5995","0.0006","7.5118","0.0004","90","","91.337","0.004","90","","2352.8","0.2","296","","296","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C14 H16 N6 O7 Pb -","- C14 H16 N6 O7 Pb -","- C56 H64 N24 O28 Pb4 -","4","1","","Hashemi, Lida; Morsali, Ali","Microwave assisted synthesis of a new lead(ii) porous three-dimensional coordination polymer: study of nanostructured size effect on high iodide adsorption affinity","CrystEngComm","2012","14","3","779","","10.1039/c2ce06133c","","","0.71073","MoKα","","0.0777","0.0455","","","0.094","0.1015","","","","","","0.964","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207253","12.164","0.007","19.0805","0.0011","16.115","0.007","90","","125.95","0.03","90","","3028","2","225","2","225","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","poly-(E,E)-((diethyl-2,2'-(1,2- phenylenebis(iminomethylidyne))bis(3-oxobutanato) (2-)- N,N',O$3,O!3')(bis(4-pyridylmethyl)sulfide)iron(ii)","poly-(E,E)-[{diethyl-2,2'-[1,2-phenylenebis(iminomethylidyne)]bis[3-oxobutanato] (2-)-N,N',O^3,O^3'}(bis(4-pyridylmethyl)sulfide)iron(II)","","- C32 H34 Fe N4 O6 S -","- C32 H34 Fe N4 O6 S -","- C128 H136 Fe4 N16 O24 S4 -","4","1","","Bauer, Wolfgang; Dîrtu, Marinela M.; Garcia, Yann; Weber, Birgit","Iron(ii) spin transition coordination polymers with a zigzag structure","CrystEngComm","2012","14","4","1223","","10.1039/c2ce06253d","","","0.71073","MoKα","","0.0571","0.0363","","","0.0903","0.1097","","","","","","1.064","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207254","18.8103","0.0009","16.0825","0.0007","25.3728","0.0013","90","","90","","90","","7675.7","0.6","125","2","125","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","[FeL4(bpms)]LS","","","- C42 H38 Fe N4 O6 S -","- C42 H38 Fe N4 O6 S -","- C336 H304 Fe8 N32 O48 S8 -","8","1","","Bauer, Wolfgang; Dîrtu, Marinela M.; Garcia, Yann; Weber, Birgit","Iron(ii) spin transition coordination polymers with a zigzag structure","CrystEngComm","2012","14","4","1223","","10.1039/c2ce06253d","","","0.71073","MoKα","","0.0625","0.0324","","","0.0723","0.0771","","","","","","0.879","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207255","19.2017","0.0005","16.2729","0.0008","25.7799","0.0015","90","","90","","90","","8055.4","0.6","250","2","250","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","[FeL4(bpms)]HS","","","- C42 H38 Fe N4 O6 S -","- C42 H38 Fe N4 O6 S -","- C336 H304 Fe8 N32 O48 S8 -","8","1","","Bauer, Wolfgang; Dîrtu, Marinela M.; Garcia, Yann; Weber, Birgit","Iron(ii) spin transition coordination polymers with a zigzag structure","CrystEngComm","2012","14","4","1223","","10.1039/c2ce06253d","","","0.71073","MoKα","","0.0815","0.0346","","","0.0741","0.0815","","","","","","0.823","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207256","15.3011","0.0012","20.084","0.002","25.52","0.0019","90","","90","","90","","7842.5","1.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C81 H68 Cu3 N6 O16 -","- C81 H68 Cu3 N6 O16 -","- C324 H272 Cu12 N24 O64 -","4","1","","Liu, Juan; Tan, Yan-Xi; Wang, Fei; Kang, Yao; Zhang, Jian","Homochiral assembly of polycatenated bilayers with mixing achiral ligands","CrystEngComm","2012","14","3","789","","10.1039/c2ce06297f","","","0.71073","MoKα","","0.1279","0.068","","","0.175","0.1955","","","","","","0.983","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207257","17.6497","0.0002","17.6497","0.0002","34.498","0.0005","90","","90","","120","","9306.8","0.2","173","2","173","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C45 H66 Cu3 N6 O12 P3 S6 -","- C45 H66 Cu3 N6 O12 P3 S6 -","- C270 H396 Cu18 N36 O72 P18 S36 -","6","0.333333","","Safin, Damir A.; Babashkina, Maria G.; Bolte, Michael; Garcia, Yann","Homoleptic polynuclear CuI and AgI complexes of N-thiophosphorylated thioureas o-RO(O)CC6H4NHC(S)NHP(S)(OiPr)2 (R = Me, Et)","CrystEngComm","2012","14","3","774","","10.1039/c2ce06346h","","","0.71073","MoKα","","0.0473","0.032","","","0.0899","0.096","","","","","","1.058","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207258","27.4538","0.0009","27.4538","0.0009","10.7505","0.0004","90","","90","","90","","8102.8","0.5","173","2","173","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C60 H88 Ag4 N8 O16 P4 S8 -","- C60 H88 Ag4 N8 O16 P4 S8 -","- C240 H352 Ag16 N32 O64 P16 S32 -","4","0.25","","Safin, Damir A.; Babashkina, Maria G.; Bolte, Michael; Garcia, Yann","Homoleptic polynuclear CuI and AgI complexes of N-thiophosphorylated thioureas o-RO(O)CC6H4NHC(S)NHP(S)(OiPr)2 (R = Me, Et)","CrystEngComm","2012","14","3","774","","10.1039/c2ce06346h","","","0.71073","MoKα","","0.0791","0.0551","","","0.1237","0.1374","","","","","","1.049","","","","has coordinates,has disorder","180403","2020-10-21","18:00:00",""
"7207259","11.8107","0.0004","19.7508","0.0005","27.3802","0.001","90","","90.034","0.003","90","","6387","0.4","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H72 Cu3 N6 O12 P3 S6 -","- C48 H72 Cu3 N6 O12 P3 S6 -","- C192 H288 Cu12 N24 O48 P12 S24 -","4","1","","Safin, Damir A.; Babashkina, Maria G.; Bolte, Michael; Garcia, Yann","Homoleptic polynuclear CuI and AgI complexes of N-thiophosphorylated thioureas o-RO(O)CC6H4NHC(S)NHP(S)(OiPr)2 (R = Me, Et)","CrystEngComm","2012","14","3","774","","10.1039/c2ce06346h","","","0.71073","MoKα","","0.0593","0.0505","","","0.1353","0.1406","","","","","","1.039","","","","has coordinates,has disorder","180403","2020-10-21","18:00:00",""
"7207260","21.14","0.004","14.841","0.003","25.156","0.005","90","","96.507","0.002","90","","7842","3","153","2","153","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C76 H82 F6 N6 O15 P2 Pd S2 -","- C76 H82 F6 N6 O15 P2 Pd S2 -","- C304 H328 F24 N24 O60 P8 Pd4 S8 -","4","1","","Guha, Samit; Goodson, Flynt S.; Clark, Ronald J.; Saha, Sourav","Deciphering anion‒π-acceptor interactions and detecting fluoride using a naphthalenediimide-based Pd(ii) coordination polymer","CrystEngComm","2012","14","4","1213","","10.1039/c2ce06363h","","","0.71073","MoKα","","0.1154","0.0987","","","0.2443","0.2541","","","","","","1.161","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7207261","8.8709","0.0018","30.672","0.006","13.972","0.003","90","","117.065","0.01","90","","3385.3","1.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H14 Cl N9 O12 Pb4 -","- C30 H14 Cl N9 O12 Pb4 -","- C120 H56 Cl4 N36 O48 Pb16 -","4","1","","Cai, Song-Liang; Zheng, Sheng-Run; Pan, Mei; Tan, Jing-Bo; Fan, Jun; Zhang, Wei-Guang","An unprecedented (3,4,14)-connected 3D metal‒organic framework based on planar octanuclear lead(ii) clusters as a secondary building unit","CrystEngComm","2012","14","4","1193","","10.1039/c2ce06378f","","","0.71073","MoKα","","0.0817","0.0469","","","0.0915","0.1039","","","","","","1.009","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207262","10.6142","0.0002","5.8945","0.0001","11.1109","0.0002","90","","90.093","0.002","90","","695.16","0.02","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H16 O5 -","- C17 H16 O5 -","- C34 H32 O10 -","2","1","","Grabowsky, Simon; Dean, Pamela M.; Skelton, Brian W.; Sobolev, Alexandre N.; Spackman, Mark A.; White, Allan H.","Crystal packing in the 2-R,4-oxo-[1,3-a/b]-naphthodioxanes ‒ Hirshfeld surface analysis and melting point correlation","CrystEngComm","2012","14","3","1083","","10.1039/c2ce06393j","","","0.71073","MoKα","","0.0371","0.033","","","0.0832","0.0843","","","","","","1.006","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207263","22.438","0.001","7.1267","0.0002","16.9373","0.0007","90","","117.532","0.006","90","","2401.7","0.2","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C15 H14 O3 -","- C15 H14 O3 -","- C120 H112 O24 -","8","1","","Grabowsky, Simon; Dean, Pamela M.; Skelton, Brian W.; Sobolev, Alexandre N.; Spackman, Mark A.; White, Allan H.","Crystal packing in the 2-R,4-oxo-[1,3-a/b]-naphthodioxanes ‒ Hirshfeld surface analysis and melting point correlation","CrystEngComm","2012","14","3","1083","","10.1039/c2ce06393j","","","0.71073","MoKα","","0.0828","0.0477","","","0.1073","0.1136","","","","","","1.002","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207264","11.883","0.0002","14.6412","0.0003","15.4699","0.0003","90","","108.565","0.002","90","","2551.42","0.09","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 O3 -","- C16 H16 O3 -","- C128 H128 O24 -","8","1","","Grabowsky, Simon; Dean, Pamela M.; Skelton, Brian W.; Sobolev, Alexandre N.; Spackman, Mark A.; White, Allan H.","Crystal packing in the 2-R,4-oxo-[1,3-a/b]-naphthodioxanes ‒ Hirshfeld surface analysis and melting point correlation","CrystEngComm","2012","14","3","1083","","10.1039/c2ce06393j","","","0.71073","MoKα","","0.083","0.0464","","","0.1048","0.1111","","","","","","1.007","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207265","9.0829","0.0002","8.4907","0.0002","14.0688","0.0003","90","","96.172","0.002","90","","1078.7","0.04","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 O3 -","- C14 H12 O3 -","- C56 H48 O12 -","4","1","","Grabowsky, Simon; Dean, Pamela M.; Skelton, Brian W.; Sobolev, Alexandre N.; Spackman, Mark A.; White, Allan H.","Crystal packing in the 2-R,4-oxo-[1,3-a/b]-naphthodioxanes ‒ Hirshfeld surface analysis and melting point correlation","CrystEngComm","2012","14","3","1083","","10.1039/c2ce06393j","","","0.71073","MoKα","","0.0842","0.0549","","","0.1472","0.1552","","","","","","1.001","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207266","20.0779","0.0008","6.228","0.0003","7.2121","0.0003","90","","100.161","0.004","90","","887.69","0.07","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 O3 -","- C12 H8 O3 -","- C48 H32 O12 -","4","1","","Grabowsky, Simon; Dean, Pamela M.; Skelton, Brian W.; Sobolev, Alexandre N.; Spackman, Mark A.; White, Allan H.","Crystal packing in the 2-R,4-oxo-[1,3-a/b]-naphthodioxanes ‒ Hirshfeld surface analysis and melting point correlation","CrystEngComm","2012","14","3","1083","","10.1039/c2ce06393j","","","0.71073","MoKα","","0.0976","0.0538","","","0.1122","0.1209","","","","","","1.001","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207267","8.1408","0.0002","10.6093","0.0002","15.5627","0.0003","90","","95.408","0.002","90","","1338.14","0.05","100","2","100","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C16 H16 O3 -","- C16 H16 O3 -","- C64 H64 O12 -","4","2","","Grabowsky, Simon; Dean, Pamela M.; Skelton, Brian W.; Sobolev, Alexandre N.; Spackman, Mark A.; White, Allan H.","Crystal packing in the 2-R,4-oxo-[1,3-a/b]-naphthodioxanes ‒ Hirshfeld surface analysis and melting point correlation","CrystEngComm","2012","14","3","1083","","10.1039/c2ce06393j","","","0.71073","MoKα","","0.0595","0.0448","","","0.0932","0.0963","","","","","","1.005","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207268","6.5117","0.0001","10.3653","0.0002","21.8661","0.0004","90","","90","","90","","1475.87","0.05","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 O5 -","- C17 H16 O5 -","- C68 H64 O20 -","4","1","","Grabowsky, Simon; Dean, Pamela M.; Skelton, Brian W.; Sobolev, Alexandre N.; Spackman, Mark A.; White, Allan H.","Crystal packing in the 2-R,4-oxo-[1,3-a/b]-naphthodioxanes ‒ Hirshfeld surface analysis and melting point correlation","CrystEngComm","2012","14","3","1083","","10.1039/c2ce06393j","","","0.71073","MoKα","","0.0931","0.0572","","","0.1037","0.1142","","","","","","1.006","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207269","5.8452","0.0003","9.3279","0.0003","12.1599","0.0006","109.289","0.004","99.692","0.004","93.069","0.004","612.59","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H7 Cl3 O3 -","- C13 H7 Cl3 O3 -","- C26 H14 Cl6 O6 -","2","1","","Grabowsky, Simon; Dean, Pamela M.; Skelton, Brian W.; Sobolev, Alexandre N.; Spackman, Mark A.; White, Allan H.","Crystal packing in the 2-R,4-oxo-[1,3-a/b]-naphthodioxanes ‒ Hirshfeld surface analysis and melting point correlation","CrystEngComm","2012","14","3","1083","","10.1039/c2ce06393j","","","0.71073","MoKα","","0.0373","0.0282","","","0.0729","0.0747","","","","","","1.002","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207270","7.8319","0.0002","12.3938","0.0005","24.6888","0.0007","90","","90","","90","","2396.47","0.13","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 O3 -","- C15 H14 O3 -","- C120 H112 O24 -","8","2","","Grabowsky, Simon; Dean, Pamela M.; Skelton, Brian W.; Sobolev, Alexandre N.; Spackman, Mark A.; White, Allan H.","Crystal packing in the 2-R,4-oxo-[1,3-a/b]-naphthodioxanes ‒ Hirshfeld surface analysis and melting point correlation","CrystEngComm","2012","14","3","1083","","10.1039/c2ce06393j","","","0.71073","MoKα","","0.09","0.0716","","","0.1627","0.1722","","","","","","1.002","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207271","7.5217","0.0002","15.7302","0.0004","9.087","0.0002","90","","90","","90","","1075.15","0.05","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C14 H12 O3 -","- C14 H12 O3 -","- C56 H48 O12 -","4","1","","Grabowsky, Simon; Dean, Pamela M.; Skelton, Brian W.; Sobolev, Alexandre N.; Spackman, Mark A.; White, Allan H.","Crystal packing in the 2-R,4-oxo-[1,3-a/b]-naphthodioxanes ‒ Hirshfeld surface analysis and melting point correlation","CrystEngComm","2012","14","3","1083","","10.1039/c2ce06393j","","","0.71073","MoKα","","0.0604","0.044","","","0.0913","0.0945","","","","","","1.001","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207272","10.7746","0.0004","15.6168","0.0005","6.1107","0.0002","90","","98.201","0.003","90","","1017.7","0.06","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 O3 -","- C13 H10 O3 -","- C52 H40 O12 -","4","1","","Grabowsky, Simon; Dean, Pamela M.; Skelton, Brian W.; Sobolev, Alexandre N.; Spackman, Mark A.; White, Allan H.","Crystal packing in the 2-R,4-oxo-[1,3-a/b]-naphthodioxanes ‒ Hirshfeld surface analysis and melting point correlation","CrystEngComm","2012","14","3","1083","","10.1039/c2ce06393j","","","0.71073","MoKα","","0.0994","0.0513","","","0.0924","0.0976","","","","","","1.002","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207273","7.62","0.002","20.963","0.006","9.876","0.003","90","","90","","90","","1577.6","0.8","293","2","293","2","","","","","","","","6","I m m a","-I 2b 2","74","","","","- C6 H9 Cd Cl N6 O -","- C6 H8 Cd Cl N6 O -","- C24 H32 Cd4 Cl4 N24 O4 -","4","0.25","","Cui, Yan-Feng; Qian, Xin; Chen, Qian; Li, Bao-Long; Li, Hai-Yan","A polythreading coordination array formed from a 3D microporous cation network and 1D anion ladders","CrystEngComm","2012","14","4","1201","","10.1039/c2ce06397b","","","0.7107","MoKα","","0.0563","0.0544","","","0.2019","0.2036","","","","","","1.091","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207274","18.912","0.0018","7.5956","0.0008","13.8924","0.0014","90","","90","","90","","1995.6","0.3","223","2","223","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H9 Cd2 Cl2 N12 O0.5 -","- C10 H8 Cd2 Cl2 N12 O0.5 -","- C40 H32 Cd8 Cl8 N48 O2 -","4","0.5","","Cui, Yan-Feng; Qian, Xin; Chen, Qian; Li, Bao-Long; Li, Hai-Yan","A polythreading coordination array formed from a 3D microporous cation network and 1D anion ladders","CrystEngComm","2012","14","4","1201","","10.1039/c2ce06397b","","","0.71075","MoKα","","0.0639","0.0545","","","0.1649","0.173","","","","","","1.098","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207275","11.5383","0.0005","11.7825","0.0003","16.8252","0.0008","90","","96.236","0.002","90","","2273.85","0.16","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H66 Fe N4 O4 -","- C50 H66 Fe N4 O4 -","- C100 H132 Fe2 N8 O8 -","2","0.5","","Stokes, Francesca A.; Coles, Martyn P.; Hitchcock, Peter B.","Into the second dimension with ferrocene bis-amidinium salts","CrystEngComm","2012","14","3","771","","10.1039/c2ce06398k","","x-ray","0.71073","MoKα","","0.0792","0.0478","","","0.0994","0.1137","","","","","","0.959","","","","has coordinates,has disorder","180403","2020-10-21","18:00:00",""
"7207276","16.2731","0.0002","17.5849","0.0003","21.4064","0.0002","90","","90","","90","","6125.67","0.14","173","2","173","2","","","","","","","synthesis as described","5","P c a n","-P 2n 2c","60","","","","- C58 H97 Fe N5 O8 -","- C58 H97 Fe N5 O8 -","- C232 H388 Fe4 N20 O32 -","4","0.5","","Stokes, Francesca A.; Coles, Martyn P.; Hitchcock, Peter B.","Into the second dimension with ferrocene bis-amidinium salts","CrystEngComm","2012","14","3","771","","10.1039/c2ce06398k","","x-ray","0.7107","MoKα","","0.0899","0.0703","","","0.1582","0.1713","","","","","","1.035","","","","has coordinates,has disorder","180403","2020-10-21","18:00:00",""
"7207277","12.5838","0.0004","19.5656","0.0005","25.605","0.0006","99.792","0.002","90.436","0.002","97.756","0.002","6152.5","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C224 H220 Mn24 N24 O101.5 -","- C224 H218 Mn24 N24 O101.5 -","- C224 H218 Mn24 N24 O101.5 -","1","0.5","","Katsenis, Athanassios D.; Inglis, Ross; Prescimone, Alessandro; Brechin, Euan K.; Papaefstathiou, Giannis S.","Two-dimensional frameworks built from Single-Molecule Magnets","CrystEngComm","2012","14","4","1216","","10.1039/c2ce06536c","","","1.5418","CuKα","","0.1601","0.0674","","","0.1494","0.1759","","","","","","0.919","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207278","14.7534","0.0004","16.3686","0.0004","22.2983","0.0006","101.659","0.002","101.396","0.002","96.649","0.002","5101.3","0.2","100","","100","","","","","","","","TKI173A sample","5","P -1","-P 1","2","","","","- C83.7 H100.8 Mn9 N9 O42.2 -","- C79.7 H83.8 Mn9 N9 O37.2 -","- C159.4 H167.6 Mn18 N18 O74.4 -","2","1","","Katsenis, Athanassios D.; Inglis, Ross; Prescimone, Alessandro; Brechin, Euan K.; Papaefstathiou, Giannis S.","Two-dimensional frameworks built from Single-Molecule Magnets","CrystEngComm","2012","14","4","1216","","10.1039/c2ce06536c","","","1.5418","CuKα","","0.116","0.0744","","0.016","0.0128","0.0128","","","","","","0.8617","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207324","19.39","0.004","11.906","0.003","12.766","0.003","90","","90","","90","","2947.1","1.2","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C29 H29 Br Co N6 O5 -","- C29 H29 Br Co N6 O5 -","- C116 H116 Br4 Co4 N24 O20 -","4","1","","Liu, Guang-Xiang; Xu, Heng; Zhou, Hong; Nishihara, Sadafumi; Ren, Xiao-Ming","Temperature-induced assembly of MOF polymorphs: Syntheses, structures and physical properties","CrystEngComm","2012","14","5","1856","","10.1039/c1ce05369h","","","0.71073","MoKα","","0.0663","0.0512","","","0.1233","0.13","","","","","","1.009","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207325","13.3734","0.0013","16.6806","0.0016","16.815","0.0015","111.657","0.001","97.436","0.001","102.73","0.001","3307.4","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H58.46 Br3 Co3 N12 O12.73 -","- C66 H58.456 Br3 Co3 N12 O12.728 -","- C132 H116.912 Br6 Co6 N24 O25.456 -","2","1","","Liu, Guang-Xiang; Xu, Heng; Zhou, Hong; Nishihara, Sadafumi; Ren, Xiao-Ming","Temperature-induced assembly of MOF polymorphs: Syntheses, structures and physical properties","CrystEngComm","2012","14","5","1856","","10.1039/c1ce05369h","","","0.71073","MoKα","","0.0738","0.0476","","","0.119","0.1309","","","","","","1.066","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207326","24.2834","0.0009","20.5803","0.0009","12.6997","0.0004","90","","90","","90","","6346.8","0.4","293","2","293","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C28 H26 N4 Ni O8 S -","- C28 H22 N4 Ni O6 S -","- C224 H176 N32 Ni8 O48 S8 -","8","","","Liu, Guang-Xiang; Xu, Heng; Zhou, Hong; Nishihara, Sadafumi; Ren, Xiao-Ming","Temperature-induced assembly of MOF polymorphs: Syntheses, structures and physical properties","CrystEngComm","2012","14","5","1856","","10.1039/c1ce05369h","","","0.71073","MoKα","","0.1261","0.0534","","","0.0886","0.1004","","","","","","1.026","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7207327","10.1202","0.0016","10.883","0.0017","13.409","0.002","70.501","0.002","87.561","0.003","76.947","0.003","1355.3","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H27.76 N4 Ni O7.38 S -","- C28 H24 N4 Ni O7.383 S -","- C56 H48 N8 Ni2 O14.766 S2 -","2","1","","Liu, Guang-Xiang; Xu, Heng; Zhou, Hong; Nishihara, Sadafumi; Ren, Xiao-Ming","Temperature-induced assembly of MOF polymorphs: Syntheses, structures and physical properties","CrystEngComm","2012","14","5","1856","","10.1039/c1ce05369h","","","0.71073","MoKα","","0.0444","0.0375","","","0.0877","0.0902","","","","","","1.04","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207328","10.081","0.002","22.229","0.004","9.462","0.0019","90","","114.5","0.03","90","","1929.4","0.8","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C18 H14 Ag Ho N4 O11 -","- C18 H14 Ag Ho N4 O11 -","- C72 H56 Ag4 Ho4 N16 O44 -","4","1","","Ding, Fu; Song, Xiao; Jiang, Bing; Smet, Philippe F.; Poelman, Dirk; Xiong, Gang; Wu, Yong-Li; Gao, En-Jun; Verpoort, Francis; Sun, Ya-Guang","Two new Ln/Ag heterometallic-based conversion phosphors constructed by 1H-benzimidazole-5,6-dicarboxylic acid","CrystEngComm","2012","14","5","1753","","10.1039/c1ce06012k","","","0.71073","MoKα","","0.0217","0.0213","","","0.0525","0.0527","","","","","","0.973","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207329","7.732","0.003","12.238","0.005","12.394","0.004","81.707","0.013","71.83","0.02","89.722","0.009","1101.6","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H9 Ag Eu N4 O13 -","- C18 H9 Ag Eu N4 O13 -","- C36 H18 Ag2 Eu2 N8 O26 -","2","1","","Ding, Fu; Song, Xiao; Jiang, Bing; Smet, Philippe F.; Poelman, Dirk; Xiong, Gang; Wu, Yong-Li; Gao, En-Jun; Verpoort, Francis; Sun, Ya-Guang","Two new Ln/Ag heterometallic-based conversion phosphors constructed by 1H-benzimidazole-5,6-dicarboxylic acid","CrystEngComm","2012","14","5","1753","","10.1039/c1ce06012k","","","0.71075","MoKα","","0.1257","0.0814","","","0.1647","0.1956","","","","","","1.079","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207330","12.204","0.001","8.196","0.001","18.415","0.002","90","","105.23","0.01","90","","1777.3","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H14 Ag2 N8 O7 -","- C12 H14 Ag2 N8 O7 -","- C48 H56 Ag8 N32 O28 -","4","0.5","","Bai, Yan; Wang, Jun-Li; Dang, Dong-Bin; Li, Meng-Meng; Niu, Jing-Yang","Assembly of four d10-metal inorganic‒organic hybrid coordination polymers based on bipyrazine imine-based ligand: Synthesis, crystal structures and luminescent properties","CrystEngComm","2012","14","5","1575","","10.1039/c1ce06030a","","","0.71073","MoKα","","0.0529","0.0361","","","0.0837","0.0901","","","","","","1.044","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207331","12.2275","0.0007","21.7867","0.0013","7.0262","0.0004","90","","90","","90","","1871.76","0.19","296","2","296","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C14 H12 Ag2 N8 S2 -","- C14 H12 Ag2 N8 S2 -","- C56 H48 Ag8 N32 S8 -","4","","","Bai, Yan; Wang, Jun-Li; Dang, Dong-Bin; Li, Meng-Meng; Niu, Jing-Yang","Assembly of four d10-metal inorganic‒organic hybrid coordination polymers based on bipyrazine imine-based ligand: Synthesis, crystal structures and luminescent properties","CrystEngComm","2012","14","5","1575","","10.1039/c1ce06030a","","","0.71073","MoKα","","0.0247","0.0228","","","0.0537","0.0551","","","","","","1.06","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207332","5.8963","0.0004","7.1928","0.0004","10.9481","0.0007","73.61","0.001","86.576","0.001","87.068","0.001","444.37","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 Cd N8 S2 -","- C14 H12 Cd N8 S2 -","- C14 H12 Cd N8 S2 -","1","0.5","","Bai, Yan; Wang, Jun-Li; Dang, Dong-Bin; Li, Meng-Meng; Niu, Jing-Yang","Assembly of four d10-metal inorganic‒organic hybrid coordination polymers based on bipyrazine imine-based ligand: Synthesis, crystal structures and luminescent properties","CrystEngComm","2012","14","5","1575","","10.1039/c1ce06030a","","","0.71073","MoKα","","0.0189","0.0185","","","0.0493","0.0496","","","","","","1.056","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207333","4.1197","0.0002","8.0163","0.0004","12.4386","0.0008","91.739","0.003","94.104","0.003","94.716","0.003","408.07","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H12 Cd I2 N6 -","- C12 H12 Cd I2 N6 -","- C12 H12 Cd I2 N6 -","1","0.5","","Bai, Yan; Wang, Jun-Li; Dang, Dong-Bin; Li, Meng-Meng; Niu, Jing-Yang","Assembly of four d10-metal inorganic‒organic hybrid coordination polymers based on bipyrazine imine-based ligand: Synthesis, crystal structures and luminescent properties","CrystEngComm","2012","14","5","1575","","10.1039/c1ce06030a","","","0.71073","MoKα","","0.0165","0.0161","","","0.0416","0.0419","","","","","","1.103","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207334","9.3233","0.001","10.1051","0.0011","23.432","0.002","78.751","0.001","79.329","0.001","76.21","0.001","2080.4","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H43 N6 O9 Zn2 -","- C44 H43 N6 O9 Zn2 -","- C88 H86 N12 O18 Zn4 -","2","1","","Li, Xiao-Ling; Liu, Guang-Zhen; Xin, Ling-Yun; Wang, Li-Ya","Three Zn(ii) metal‒organic frameworks assembled from a versatile tecton 5-ethyl-pyridine-2,3-dicarboxylate and dipyridyl-type coligand","CrystEngComm","2012","14","5","1729","","10.1039/c1ce06050c","","","0.71073","MoKα","","0.0428","0.0329","","","0.0807","0.0859","","","","","","1.02","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207335","9.0907","0.0009","11.4058","0.0011","12.0885","0.0012","79.066","0.001","84.264","0.001","77.018","0.001","1197.1","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H42 N6 O16 Zn3 -","- C48 H42 N6 O16 Zn3 -","- C48 H42 N6 O16 Zn3 -","1","0.5","","Li, Xiao-Ling; Liu, Guang-Zhen; Xin, Ling-Yun; Wang, Li-Ya","Three Zn(ii) metal‒organic frameworks assembled from a versatile tecton 5-ethyl-pyridine-2,3-dicarboxylate and dipyridyl-type coligand","CrystEngComm","2012","14","5","1729","","10.1039/c1ce06050c","","","0.71073","MoKα","","0.0285","0.0254","","","0.0692","0.0704","","","","","","1.071","","","","has coordinates,has disorder","180404","2020-10-21","18:00:00",""
"7207336","9.876","0.001","11.3027","0.0011","12.0107","0.0012","77.3","0.001","81.594","0.001","66.021","0.001","1192.6","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H40 N6 O16 Zn3 -","- C48 H40 N6 O16 Zn3 -","- C48 H40 N6 O16 Zn3 -","1","0.5","","Li, Xiao-Ling; Liu, Guang-Zhen; Xin, Ling-Yun; Wang, Li-Ya","Three Zn(ii) metal‒organic frameworks assembled from a versatile tecton 5-ethyl-pyridine-2,3-dicarboxylate and dipyridyl-type coligand","CrystEngComm","2012","14","5","1729","","10.1039/c1ce06050c","","","0.71073","MoKα","","0.0296","0.0264","","","0.0732","0.0746","","","","","","1.068","","","","has coordinates,has disorder","180404","2020-10-21","18:00:00",""
"7207337","7.6366","0.0007","15.5557","0.0014","15.0141","0.0014","90","","90.395","0.001","90","","1783.5","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H21 N2 O -","- C23 H21 N2 O -","- C92 H84 N8 O4 -","4","2","","Akpinar, Handan; Mague, Joel T.; Novak, Miguel A.; Friedman, Jonathan R.; Lahti, Paul M.","Radicals organized by disk shaped aromatics ‒ polymorphism and co-crystals that tune inter-electron exchange","CrystEngComm","2012","14","5","1515","","10.1039/c1ce06096a","","","0.71073","MoKα","","0.1182","0.0989","","","0.2711","0.2891","","","","","","1.054","","","","has coordinates,has disorder","180404","2020-10-21","18:00:00",""
"7207338","14.428","0.002","7.4072","0.0012","33.289","0.005","90","","91.483","0.002","90","","3556.4","0.9","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 N2 O2 -","- C23 H21 N2 O2 -","- C184 H168 N16 O16 -","8","2","","Akpinar, Handan; Mague, Joel T.; Novak, Miguel A.; Friedman, Jonathan R.; Lahti, Paul M.","Radicals organized by disk shaped aromatics ‒ polymorphism and co-crystals that tune inter-electron exchange","CrystEngComm","2012","14","5","1515","","10.1039/c1ce06096a","","","0.71073","MoKα","","0.1664","0.0723","","","0.1172","0.1407","","","","","","0.961","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207339","9.9817","0.0002","7.3687","0.0001","25.0583","0.0005","90","","94.737","0.001","90","","1836.8","0.06","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 N2 O2 -","- C23 H21 N2 O2 -","- C92 H84 N8 O8 -","4","1","","Akpinar, Handan; Mague, Joel T.; Novak, Miguel A.; Friedman, Jonathan R.; Lahti, Paul M.","Radicals organized by disk shaped aromatics ‒ polymorphism and co-crystals that tune inter-electron exchange","CrystEngComm","2012","14","5","1515","","10.1039/c1ce06096a","","","0.71073","MoKα","","0.0451","0.0386","","","0.1035","0.1101","","","","","","1.051","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207340","15.354","0.0003","7.5164","0.0002","18.7218","0.0004","90","","97.967","0.0013","90","","2139.77","0.08","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H42 F6 N4 O4 -","- C52 H42 F6 N4 O4 -","- C104 H84 F12 N8 O8 -","2","0.5","","Akpinar, Handan; Mague, Joel T.; Novak, Miguel A.; Friedman, Jonathan R.; Lahti, Paul M.","Radicals organized by disk shaped aromatics ‒ polymorphism and co-crystals that tune inter-electron exchange","CrystEngComm","2012","14","5","1515","","10.1039/c1ce06096a","","","0.71073","MoKα","","0.0632","0.0508","","","0.129","0.1371","","","","","","1.022","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207341","10.322","0.005","7.181","0.003","24.037","0.011","90","","98.018","0.006","90","","1764.3","1.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 N2 O -","- C23 H21 N2 O1.097 -","- C92 H84 N8 O4.388 -","4","1","","Akpinar, Handan; Mague, Joel T.; Novak, Miguel A.; Friedman, Jonathan R.; Lahti, Paul M.","Radicals organized by disk shaped aromatics ‒ polymorphism and co-crystals that tune inter-electron exchange","CrystEngComm","2012","14","5","1515","","10.1039/c1ce06096a","","","0.71073","MoKα","","0.064","0.0453","","","0.1054","0.1155","","","","","","1.031","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207342","17.376","0.0014","17.376","0.0014","10.304","0.0017","90","","90","","90","","3111","0.6","273","2","273","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C6 H3 Cl2 O Tl -","- C6 H3 Cl2 O Tl -","- C96 H48 Cl32 O16 Tl16 -","16","1","","Akhbari, Kamran; Morsali, Ali","Halogen dipole moment effect of phenolic ring on formation of stair like polymers or polymers with tetranuclear cubic cage units; new precursors for preparation of TlCl and Tl2O3 nanostructures","CrystEngComm","2012","14","5","1618","","10.1039/c1ce06132a","","","0.71073","MoKα","","0.0361","0.0291","","","0.0615","0.0636","","","","","","1.113","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207343","30.758","0.015","3.8153","0.0018","16.345","0.007","90","","122.1","0.001","90","","1624.9","1.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H2 Cl3 O Tl -","- C6 H2 Cl3 O Tl -","- C48 H16 Cl24 O8 Tl8 -","8","1","","Akhbari, Kamran; Morsali, Ali","Halogen dipole moment effect of phenolic ring on formation of stair like polymers or polymers with tetranuclear cubic cage units; new precursors for preparation of TlCl and Tl2O3 nanostructures","CrystEngComm","2012","14","5","1618","","10.1039/c1ce06132a","","","0.71073","MoKα","","0.0177","0.0172","","","0.0474","0.0479","","","","","","1","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207344","10.3447","0.0012","19.514","0.002","6.392","0.0007","90","","90","","90","","1290.3","0.2","298","2","298","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C6 H4 F O Tl -","- C6 H4 F O Tl -","- C48 H32 F8 O8 Tl8 -","8","1","","Akhbari, Kamran; Morsali, Ali","Halogen dipole moment effect of phenolic ring on formation of stair like polymers or polymers with tetranuclear cubic cage units; new precursors for preparation of TlCl and Tl2O3 nanostructures","CrystEngComm","2012","14","5","1618","","10.1039/c1ce06132a","","","0.71073","MoKα","","0.0339","0.0282","","","0.0713","0.074","","","","","","1.094","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207345","19.8127","0.0014","7.6404","0.0005","14.2901","0.0017","90","","132.817","0.003","90","","1586.8","0.3","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C24 H12 Cl8 O4 Tl4 -","- C24 H12 Cl8 O4 Tl4 -","- C48 H24 Cl16 O8 Tl8 -","2","0.5","","Akhbari, Kamran; Morsali, Ali","Halogen dipole moment effect of phenolic ring on formation of stair like polymers or polymers with tetranuclear cubic cage units; new precursors for preparation of TlCl and Tl2O3 nanostructures","CrystEngComm","2012","14","5","1618","","10.1039/c1ce06132a","","","0.71073","MoKα","","0.0894","0.0831","","","0.2073","0.2133","","","","","","1.086","","","","has coordinates","212870","2020-10-21","18:00:00",""
"7207346","3.8883","0.0004","19.8849","0.0019","9.7499","0.0008","90","","94.92","0.005","90","","751.07","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H3 Cl2 O Tl -","- C6 H3 Cl2 O Tl -","- C24 H12 Cl8 O4 Tl4 -","4","1","","Akhbari, Kamran; Morsali, Ali","Halogen dipole moment effect of phenolic ring on formation of stair like polymers or polymers with tetranuclear cubic cage units; new precursors for preparation of TlCl and Tl2O3 nanostructures","CrystEngComm","2012","14","5","1618","","10.1039/c1ce06132a","","","0.71073","MoKα","","0.0168","0.015","","","0.0347","0.0353","","","","","","1.083","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207347","14.1678","0.0007","14.1678","0.0007","7.0565","0.0007","90","","90","","90","","1416.43","0.17","100","2","100","2","","","","","","","","5","I -4","I -4","82","","","","- C24 H16 Cl4 O4 Tl4 -","- C24 H16 Cl4 O4 Tl4 -","- C48 H32 Cl8 O8 Tl8 -","2","0.25","","Akhbari, Kamran; Morsali, Ali","Halogen dipole moment effect of phenolic ring on formation of stair like polymers or polymers with tetranuclear cubic cage units; new precursors for preparation of TlCl and Tl2O3 nanostructures","CrystEngComm","2012","14","5","1618","","10.1039/c1ce06132a","","","0.71073","MoKα","","0.0322","0.0314","","","0.0724","0.0727","","","","","","1.038","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207348","10.0853","0.0005","15.7875","0.0008","10.31","0.0005","90","","104.334","0.002","90","","1590.47","0.14","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H16 I4 O4 Tl4 -","- C24 H16 I4 O4 Tl4 -","- C48 H32 I8 O8 Tl8 -","2","1","","Akhbari, Kamran; Morsali, Ali","Halogen dipole moment effect of phenolic ring on formation of stair like polymers or polymers with tetranuclear cubic cage units; new precursors for preparation of TlCl and Tl2O3 nanostructures","CrystEngComm","2012","14","5","1618","","10.1039/c1ce06132a","","","0.71073","MoKα","","0.0297","0.0269","","","0.0573","0.0582","","","","","","0.853","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207349","17.4773","0.0007","17.4773","0.0007","10.2912","0.0002","90","","90","","90","","3143.51","0.19","100","2","100","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C24 H12 Br4 Cl4 O4 Tl4 -","- C24 H12 Br4 Cl4 O4 Tl4 -","- C96 H48 Br16 Cl16 O16 Tl16 -","4","0.25","","Akhbari, Kamran; Morsali, Ali","Halogen dipole moment effect of phenolic ring on formation of stair like polymers or polymers with tetranuclear cubic cage units; new precursors for preparation of TlCl and Tl2O3 nanostructures","CrystEngComm","2012","14","5","1618","","10.1039/c1ce06132a","","","0.71073","MoKα","","0.0542","0.0326","","","0.0778","0.1142","","","","","","1.108","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207350","15.1961","0.0004","15.0703","0.0004","26.0915","0.0007","90","","90","","90","","5975.2","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H12 Cl4 F4 O4 Tl4 -","- C24 H12 Cl4 F4 O4 Tl4 -","- C192 H96 Cl32 F32 O32 Tl32 -","8","1","","Akhbari, Kamran; Morsali, Ali","Halogen dipole moment effect of phenolic ring on formation of stair like polymers or polymers with tetranuclear cubic cage units; new precursors for preparation of TlCl and Tl2O3 nanostructures","CrystEngComm","2012","14","5","1618","","10.1039/c1ce06132a","","","0.71073","MoKα","","0.0478","0.0281","","","0.0616","0.0722","","","","","","0.996","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207351","18.164","0.002","14.237","0.002","8.9017","0.0013","90","","109.17","0.007","90","","2174.3","0.5","293","2","293","2","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","","- C28 H34 Ag2 B2 F8 N8 O5 S6 -","- C28 H24 Ag2 B2 F8 N8 O4.998 S6 -","- C56 H48 Ag4 B4 F16 N16 O9.996 S12 -","2","0.25","","Wei, Wei; Yu, Hongtao; Jiang, Feilong; Liu, Bing; Ma, Jie; Hong, Maochun","Anion-controlled conformational variation: Structural modulation and anion exchange of Ag(i) coordination networks","CrystEngComm","2012","14","5","1693","","10.1039/c1ce06141k","","","0.71073","MoKα","","0.0665","0.0548","","","0.1396","0.1487","","","","","","1.095","","","","has coordinates,has disorder","180404","2020-10-21","18:00:00",""
"7207352","29.96","0.03","5.629","0.004","20.905","0.017","90","","104.337","0.014","90","","3416","5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 Ag N5 O2 S3 -","- C14 H12 Ag N5 O2 S3 -","- C112 H96 Ag8 N40 O16 S24 -","8","1","","Wei, Wei; Yu, Hongtao; Jiang, Feilong; Liu, Bing; Ma, Jie; Hong, Maochun","Anion-controlled conformational variation: Structural modulation and anion exchange of Ag(i) coordination networks","CrystEngComm","2012","14","5","1693","","10.1039/c1ce06141k","","","0.71073","MoKα","","0.0813","0.0472","","","0.0955","0.1086","","","","","","1.046","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207353","26.283","0.006","26.418","0.006","10.625","0.002","90","","90","","90","","7377","3","296","2","296","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C56 H48 Ag4 N20 O12 S12 -","- C56 H48 Ag4 N20 O12 S12 -","- C224 H192 Ag16 N80 O48 S48 -","4","0.5","","Wei, Wei; Yu, Hongtao; Jiang, Feilong; Liu, Bing; Ma, Jie; Hong, Maochun","Anion-controlled conformational variation: Structural modulation and anion exchange of Ag(i) coordination networks","CrystEngComm","2012","14","5","1693","","10.1039/c1ce06141k","","","0.71073","MoKα","","0.1304","0.0771","","","0.1944","0.2111","","","","","","1.038","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207354","13.86","0.004","15.78","0.003","13.325","0.003","90","","90","","90","","2914.3","1.2","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C30 H18 Cd2 N8 O8 -","- C30 H18 Cd2 N8 O8 -","- C120 H72 Cd8 N32 O32 -","4","1","","Yuan, Gang; Shao, Kui-Zhan; Du, Dong-Ying; Wang, Xin-Long; Su, Zhong-Min; Ma, Jian-Fang","Secondary ligand-directed assembly of metal‒organic coordination polymers based on a 2-(pyridin-4-yl)-1H-imidazole-4,5-dicarboxylic acid ligand: Syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","5","1865","","10.1039/c1ce06178j","","","0.71069","MoKα","","0.0682","0.0406","","","0.0545","0.0616","","","","","","0.964","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207355","8.652","0.002","9.105","0.006","12.29","0.005","93.175","0.004","100.408","0.003","113.747","0.008","862.7","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H22 Cd3 N6 O21 -","- C30 H18 Cd3 N6 O21 -","- C30 H18 Cd3 N6 O21 -","1","0.5","","Yuan, Gang; Shao, Kui-Zhan; Du, Dong-Ying; Wang, Xin-Long; Su, Zhong-Min; Ma, Jian-Fang","Secondary ligand-directed assembly of metal‒organic coordination polymers based on a 2-(pyridin-4-yl)-1H-imidazole-4,5-dicarboxylic acid ligand: Syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","5","1865","","10.1039/c1ce06178j","","","0.71069","MoKα","","0.0374","0.0313","","","0.0872","0.09","","","","","","0.997","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207356","8.743","0.005","9.887","0.005","11.655","0.001","71.127","0.009","72.77","0.001","65.701","0.005","853.2","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H11 Cd2 Cl N3 O8 -","- C14 H8 Cd2 Cl N3 O8 -","- C28 H16 Cd4 Cl2 N6 O16 -","2","1","","Yuan, Gang; Shao, Kui-Zhan; Du, Dong-Ying; Wang, Xin-Long; Su, Zhong-Min; Ma, Jian-Fang","Secondary ligand-directed assembly of metal‒organic coordination polymers based on a 2-(pyridin-4-yl)-1H-imidazole-4,5-dicarboxylic acid ligand: Syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","5","1865","","10.1039/c1ce06178j","","","0.71069","MoKα","","0.029","0.0258","","","0.0679","0.0693","","","","","","1.088","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207357","13.562","0.006","6.941","0.002","16.19","0.001","90","","102.243","0.003","90","","1489.4","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 Cd2 N3 O8 -","- C12 H11 Cd2 N3 O8 -","- C48 H44 Cd8 N12 O32 -","4","1","","Yuan, Gang; Shao, Kui-Zhan; Du, Dong-Ying; Wang, Xin-Long; Su, Zhong-Min; Ma, Jian-Fang","Secondary ligand-directed assembly of metal‒organic coordination polymers based on a 2-(pyridin-4-yl)-1H-imidazole-4,5-dicarboxylic acid ligand: Syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","5","1865","","10.1039/c1ce06178j","","","0.71069","MoKα","","0.0421","0.0291","","","0.0618","0.066","","","","","","0.936","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207358","8.259","0.008","10.892","0.001","16.45","0.009","90","","98.025","0.008","90","","1465.3","1.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 N3 O10 Zn2 -","- C12 H8 N3 O10 Zn2 -","- C48 H32 N12 O40 Zn8 -","4","0.5","","Yuan, Gang; Shao, Kui-Zhan; Du, Dong-Ying; Wang, Xin-Long; Su, Zhong-Min; Ma, Jian-Fang","Secondary ligand-directed assembly of metal‒organic coordination polymers based on a 2-(pyridin-4-yl)-1H-imidazole-4,5-dicarboxylic acid ligand: Syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","5","1865","","10.1039/c1ce06178j","","","0.71069","MoKα","","0.0543","0.0436","","","0.1199","0.1374","","","","","","0.986","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207359","8.301","0.006","14.878","0.005","11.575","0.004","90","","90.854","0.009","90","","1429.4","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 Eu N3 O9 -","- C11 H5 Eu N3 O9 -","- C44 H20 Eu4 N12 O36 -","4","1","","Yuan, Gang; Shao, Kui-Zhan; Du, Dong-Ying; Wang, Xin-Long; Su, Zhong-Min; Ma, Jian-Fang","Secondary ligand-directed assembly of metal‒organic coordination polymers based on a 2-(pyridin-4-yl)-1H-imidazole-4,5-dicarboxylic acid ligand: Syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","5","1865","","10.1039/c1ce06178j","","","0.71069","MoKα","","0.049","0.0311","","","0.0675","0.0734","","","","","","1.011","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207360","8.321","0.009","14.724","0.001","11.522","0.003","90","","90.797","0.007","90","","1411.5","1.6","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 N3 O9 Tb -","- C11 H7 N3 O9 Tb -","- C44 H28 N12 O36 Tb4 -","4","1","","Yuan, Gang; Shao, Kui-Zhan; Du, Dong-Ying; Wang, Xin-Long; Su, Zhong-Min; Ma, Jian-Fang","Secondary ligand-directed assembly of metal‒organic coordination polymers based on a 2-(pyridin-4-yl)-1H-imidazole-4,5-dicarboxylic acid ligand: Syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","5","1865","","10.1039/c1ce06178j","","","0.71069","MoKα","","0.0478","0.0312","","","0.0661","0.07","","","","","","1.02","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207361","9.5565","0.0005","12.4706","0.0006","22.8429","0.001","90","","102.6","0.002","90","","2656.7","0.2","173","2","173","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C30 H42 Mn3 N8 O22 -","- C30 H42 Mn3 N8 O22 -","- C60 H84 Mn6 N16 O44 -","2","1","","Zhang, Ming-Yang; Shan, Wei-Jun; Han, Zheng-Bo","Syntheses and magnetic properties of three Mn(ii) coordination polymers based on a tripodal flexible ligand","CrystEngComm","2012","14","5","1568","","10.1039/c1ce06213a","","","0.71073","MoKα","","0.0519","0.0454","","","0.1089","0.113","","","","","","0.981","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207362","14.3147","0.0015","12.5692","0.0013","17.753","0.002","90","","94.401","0.006","90","","3184.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H78 Mn3 N12 O24 -","- C48 H78 Mn3 N12 O24 -","- C96 H156 Mn6 N24 O48 -","2","0.5","","Zhang, Ming-Yang; Shan, Wei-Jun; Han, Zheng-Bo","Syntheses and magnetic properties of three Mn(ii) coordination polymers based on a tripodal flexible ligand","CrystEngComm","2012","14","5","1568","","10.1039/c1ce06213a","","","0.71073","MoKα","","0.0474","0.0398","","","0.1022","0.1076","","","","","","1.034","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207363","13.112","0.0011","23.1084","0.0019","6.7362","0.0006","90","","92.986","0.001","90","","2038.3","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 Mn N4 O10 -","- C18 H19 Mn N4 O10 -","- C72 H76 Mn4 N16 O40 -","4","1","","Zhang, Ming-Yang; Shan, Wei-Jun; Han, Zheng-Bo","Syntheses and magnetic properties of three Mn(ii) coordination polymers based on a tripodal flexible ligand","CrystEngComm","2012","14","5","1568","","10.1039/c1ce06213a","","","0.71073","MoKα","","0.085","0.0655","","","0.1667","0.186","","","","","","1.108","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207364","10.8218","0.0011","15.0383","0.0016","16.836","0.0017","87.608","0.002","87.621","0.002","72.264","0.002","2606.2","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H24 N6 O15 Zn2 -","- C20 H18 N6 O15 Zn2 -","- C80 H72 N24 O60 Zn8 -","4","2","","Chen, Min; Lu, Yi; Fan, Jian; Lv, Gao-Chao; Zhao, Yue; Zhang, Yan; Sun, Wei-Yin","High structural diversity controlled by temperature and induction agent","CrystEngComm","2012","14","6","2015","","10.1039/c1ce06456h","","","0.71073","MoKα","","0.0951","0.0795","","","0.1784","0.186","","","","","","1.184","","","","has coordinates,has disorder","180404","2020-10-21","18:00:00",""
"7207365","20.592","0.004","7.4868","0.0012","17.275","0.003","90","","123.44","0.006","90","","2222.4","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 N6 O13 Zn2 -","- C20 H20 N6 O13 Zn2 -","- C80 H80 N24 O52 Zn8 -","4","0.5","","Chen, Min; Lu, Yi; Fan, Jian; Lv, Gao-Chao; Zhao, Yue; Zhang, Yan; Sun, Wei-Yin","High structural diversity controlled by temperature and induction agent","CrystEngComm","2012","14","6","2015","","10.1039/c1ce06456h","","","0.71073","MoKα","","0.0336","0.0318","","","0.0939","0.0949","","","","","","1.075","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207366","10.3253","0.0018","10.6116","0.0017","11.0121","0.0019","90","","115.701","0.003","90","","1087.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H7 N3 O5 Zn -","- C10 H7 N3 O5 Zn -","- C40 H28 N12 O20 Zn4 -","4","1","","Chen, Min; Lu, Yi; Fan, Jian; Lv, Gao-Chao; Zhao, Yue; Zhang, Yan; Sun, Wei-Yin","High structural diversity controlled by temperature and induction agent","CrystEngComm","2012","14","6","2015","","10.1039/c1ce06456h","","","0.71073","MoKα","","0.0429","0.0374","","","0.0939","0.0967","","","","","","1.024","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207367","11.1185","0.0016","10.599","0.0015","9.7609","0.0013","90","","116.445","0.002","90","","1029.9","0.2","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C10 H7 N3 O5 Zn -","- C10 H7 N3 O5 Zn -","- C40 H28 N12 O20 Zn4 -","4","1","","Chen, Min; Lu, Yi; Fan, Jian; Lv, Gao-Chao; Zhao, Yue; Zhang, Yan; Sun, Wei-Yin","High structural diversity controlled by temperature and induction agent","CrystEngComm","2012","14","6","2015","","10.1039/c1ce06456h","","","0.71073","MoKα","","0.0374","0.0372","","","0.0938","0.0941","","","","","","1.052","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207368","10.9277","0.0012","21.32","0.002","21.32","0.002","82.64","","75.341","0.002","75.341","0.002","4638.1","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H68 N24 O48 Zn10 -","- C80 H46 N24 O48 Zn10 -","- C160 H92 N48 O96 Zn20 -","2","1","","Chen, Min; Lu, Yi; Fan, Jian; Lv, Gao-Chao; Zhao, Yue; Zhang, Yan; Sun, Wei-Yin","High structural diversity controlled by temperature and induction agent","CrystEngComm","2012","14","6","2015","","10.1039/c1ce06456h","","","0.71073","MoKα","","0.1585","0.13","","","0.2757","0.2854","","","","","","1.202","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207384","8.8102","0.0002","15.6323","0.0004","16.3592","0.0004","103.544","0.001","100.811","0.001","90.1909","0.0012","2148.88","0.09","290","","290","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H38 Co2 N6 O13 -","- C33 H25 Co2 N5 O9 -","- C66 H50 Co4 N10 O18 -","2","1","","Song, Ping; Liu, Bin; Li, Yaoqi; Yang, Junzhi; Wang, Zheming; Li, Xingguo","Two pillared-layer metal‒organic frameworks constructed with Co(ii), 1,2,4,5-benzenetetracarboxylate, and 4,4′-bipyridine: syntheses, crystal structures, and gas adsorption properties","CrystEngComm","2012","14","6","2296","","10.1039/c2ce05586d","","","0.71073","MoKα","","0.083","0.0431","","","0.107","0.1155","","","","","","0.924","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"7207385","10.2537","0.0002","13.3383","0.0003","11.6839","0.0003","90","","120.648","0.001","90","","1374.76","0.06","290","","290","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 Co2 N4 O10 -","- C26 H24 Co2 N4 O10 -","- C52 H48 Co4 N8 O20 -","2","0.5","","Song, Ping; Liu, Bin; Li, Yaoqi; Yang, Junzhi; Wang, Zheming; Li, Xingguo","Two pillared-layer metal‒organic frameworks constructed with Co(ii), 1,2,4,5-benzenetetracarboxylate, and 4,4′-bipyridine: syntheses, crystal structures, and gas adsorption properties","CrystEngComm","2012","14","6","2296","","10.1039/c2ce05586d","","","0.71073","MoKα","","0.0691","0.0376","","","0.0965","0.1036","","","","","","1.047","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7207386","13.7314","0.0002","7.6426","0.0002","14.8068","0.0003","90","","96.755","0.002","90","","1543.09","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","tetraaquacobalt(ii)-trans-1,2-bis(4-pyridil) -ethylene bis- aminosalicylate tetraahydrate","tetraaquacobalt(II)-trans-1,2-bis(4-pyridil) -ethylene bis-aminosalicylate tetraahydrate","","- C26 H38 Co N4 O14 -","- C26 H38 Co N4 O14 -","- C52 H76 Co2 N8 O28 -","2","0.5","","Garcia, Humberto C.; Diniz, Renata; de Oliveira, Luiz Fernando C.","An interesting pseudo-honeycomb supramolecular arrangement obtained from the interaction between 4-aminosalicylic acid, trans-1,2-bis(4-pyridyl)ethylene and transition metal ions","CrystEngComm","2012","14","5","1812","","10.1039/c2ce05771a","","","0.71073","MoKα","","0.0474","0.0396","","","0.1336","0.14","","","","","","1.182","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207387","13.641","0.0003","7.65426","0.00019","14.7589","0.0003","90","","96.6889","0.0019","90","","1530.51","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","tetraaquanickel(ii)-trans-1,2-bis(4-pyridil) -ethylene bis- aminosalicylate tetrahydrate","tetraaquanickel(II)-trans-1,2-bis(4-pyridil) -ethylene bis-aminosalicylate tetrahydrate","","- C26 H38 N4 Ni O14 -","- C26 H38 N4 Ni O14 -","- C52 H76 N8 Ni2 O28 -","2","0.5","","Garcia, Humberto C.; Diniz, Renata; de Oliveira, Luiz Fernando C.","An interesting pseudo-honeycomb supramolecular arrangement obtained from the interaction between 4-aminosalicylic acid, trans-1,2-bis(4-pyridyl)ethylene and transition metal ions","CrystEngComm","2012","14","5","1812","","10.1039/c2ce05771a","","","0.71073","MoKα","","0.053","0.0429","","","0.1446","0.155","","","","","","1.13","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207388","13.7232","0.0003","7.6423","0.0002","14.8063","0.0004","90","","96.804","0.002","90","","1541.9","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","tetraaquazinc(ii)-trans-1,2-bis(4-pyridil)-ethylene bis- aminosalicylate tetraahydrate","tetraaquazinc(II)-trans-1,2-bis(4-pyridil)- ethylene bis-aminosalicylate tetraahydrate","","- C26 H38 N4 O14 Zn -","- C26 H38 N4 O14 Zn -","- C52 H76 N8 O28 Zn2 -","2","0.5","","Garcia, Humberto C.; Diniz, Renata; de Oliveira, Luiz Fernando C.","An interesting pseudo-honeycomb supramolecular arrangement obtained from the interaction between 4-aminosalicylic acid, trans-1,2-bis(4-pyridyl)ethylene and transition metal ions","CrystEngComm","2012","14","5","1812","","10.1039/c2ce05771a","","","0.71073","MoKα","","0.04","0.0328","","","0.1005","0.1119","","","","","","1.158","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207389","9.8549","0.001","12.9803","0.0013","13.1435","0.0013","88.025","0.002","78.041","0.002","85.364","0.002","1639.2","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H26 Cu4 N8 O17 S2 -","- C24 H26 Cu4 N8 O17 S2 -","- C48 H52 Cu8 N16 O34 S4 -","2","1","","Cui, Jiehu; Huang, Liangfang; Lu, Zhenzhong; Li, Yizhi; Guo, Zijian; Zheng, Hegen","Synthesis and properties of five unexpected copper complexes with ring-cleavage of 3,6-di-2-pyridyl-1,2,4,5‒tetrazine by one pot in situ hydrothermal reaction","CrystEngComm","2012","14","6","2258","","10.1039/c2ce05785a","","","0.71073","MoKα","","0.0459","0.0415","","","0.1072","0.1093","","","","","","1.069","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207390","11.3702","0.0014","17.1","0.002","17.374","0.002","90","","90","","90","","3378","0.7","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H14 Cu2 N4 O9 S -","- C12 H14 Cu2 N4 O9 S -","- C96 H112 Cu16 N32 O72 S8 -","8","1","","Cui, Jiehu; Huang, Liangfang; Lu, Zhenzhong; Li, Yizhi; Guo, Zijian; Zheng, Hegen","Synthesis and properties of five unexpected copper complexes with ring-cleavage of 3,6-di-2-pyridyl-1,2,4,5‒tetrazine by one pot in situ hydrothermal reaction","CrystEngComm","2012","14","6","2258","","10.1039/c2ce05785a","","","0.71073","MoKα","","0.0435","0.0363","","","0.0956","0.0979","","","","","","1.028","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207391","9.763","0.002","15.902","0.004","9.503","0.002","90","","109.733","0.004","90","","1388.7","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H8 Cu2 N6 O -","- C14 H8 Cu2 N6 O -","- C56 H32 Cu8 N24 O4 -","4","0.5","","Cui, Jiehu; Huang, Liangfang; Lu, Zhenzhong; Li, Yizhi; Guo, Zijian; Zheng, Hegen","Synthesis and properties of five unexpected copper complexes with ring-cleavage of 3,6-di-2-pyridyl-1,2,4,5‒tetrazine by one pot in situ hydrothermal reaction","CrystEngComm","2012","14","6","2258","","10.1039/c2ce05785a","","","0.71073","MoKα","","0.0457","0.0346","","","0.0785","0.0807","","","","","","1.018","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207392","7.2659","0.0014","9.9624","0.0019","13.716","0.003","94.208","0.004","98.334","0.003","103.15","0.004","950.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H14 Cu2 N4 O7 -","- C20 H14 Cu2 N4 O7 -","- C40 H28 Cu4 N8 O14 -","2","1","","Cui, Jiehu; Huang, Liangfang; Lu, Zhenzhong; Li, Yizhi; Guo, Zijian; Zheng, Hegen","Synthesis and properties of five unexpected copper complexes with ring-cleavage of 3,6-di-2-pyridyl-1,2,4,5‒tetrazine by one pot in situ hydrothermal reaction","CrystEngComm","2012","14","6","2258","","10.1039/c2ce05785a","","","0.71073","MoKα","","0.066","0.0442","","","0.0692","0.0725","","","","","","0.949","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207393","3.7781","0.0017","12.032","0.005","11.896","0.005","90","","91.585","0.009","90","","540.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 Cu N2 O4 -","- C12 H8 Cu N2 O4 -","- C24 H16 Cu2 N4 O8 -","2","0.5","","Cui, Jiehu; Huang, Liangfang; Lu, Zhenzhong; Li, Yizhi; Guo, Zijian; Zheng, Hegen","Synthesis and properties of five unexpected copper complexes with ring-cleavage of 3,6-di-2-pyridyl-1,2,4,5‒tetrazine by one pot in situ hydrothermal reaction","CrystEngComm","2012","14","6","2258","","10.1039/c2ce05785a","","","0.71073","MoKα","","0.0538","0.0386","","","0.0734","0.0756","","","","","","1.001","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207394","8.8209","0.0003","13.7896","0.0005","18.6855","0.0006","90","","90","","90","","2272.84","0.13","298","2","298","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C24 H12 Eu N4 Na O8 -","- C24 H12 Eu N4 Na O8 -","- C96 H48 Eu4 N16 Na4 O32 -","4","0.5","","Dai, Jing-Wei; Tong, Ming-Liang","Alkali‒lanthanide heterometallic coordination polymers based on 2,2′-bipyridine-6,6′-dicarboxylate: synthesis, structure, and luminescent properties","CrystEngComm","2012","14","6","2124","","10.1039/c2ce05828f","","","0.71073","MoKα","","0.0239","0.0213","","","0.0579","0.0593","","","","","","1.06","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207395","8.8179","0.0003","13.7604","0.0003","18.66","0.0004","90","","90","","90","","2264.16","0.1","298","2","298","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C24 H12 N4 Na O8 Tb -","- C24 H12 N4 Na O8 Tb -","- C96 H48 N16 Na4 O32 Tb4 -","4","0.5","","Dai, Jing-Wei; Tong, Ming-Liang","Alkali‒lanthanide heterometallic coordination polymers based on 2,2′-bipyridine-6,6′-dicarboxylate: synthesis, structure, and luminescent properties","CrystEngComm","2012","14","6","2124","","10.1039/c2ce05828f","","","0.71073","MoKα","","0.0198","0.0164","","","0.0428","0.0443","","","","","","1.075","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207396","8.7617","0.0008","21.2393","0.0018","15.8856","0.0011","90","","121.147","0.004","90","","2530","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H16 Eu K N4 O9 -","- C25 H16 Eu K N4 O9 -","- C100 H64 Eu4 K4 N16 O36 -","4","1","","Dai, Jing-Wei; Tong, Ming-Liang","Alkali‒lanthanide heterometallic coordination polymers based on 2,2′-bipyridine-6,6′-dicarboxylate: synthesis, structure, and luminescent properties","CrystEngComm","2012","14","6","2124","","10.1039/c2ce05828f","","","0.71073","MoKα","","0.0519","0.0367","","","0.0794","0.0856","","","","","","1.04","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207397","8.8249","0.0001","21.0395","0.0003","15.8776","0.0003","90","","120.844","0.002","90","","2531.07","0.08","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H16 K N4 O9 Tb -","- C25 H16 K N4 O9 Tb -","- C100 H64 K4 N16 O36 Tb4 -","4","1","","Dai, Jing-Wei; Tong, Ming-Liang","Alkali‒lanthanide heterometallic coordination polymers based on 2,2′-bipyridine-6,6′-dicarboxylate: synthesis, structure, and luminescent properties","CrystEngComm","2012","14","6","2124","","10.1039/c2ce05828f","","","1.54178","CuKα","","0.0763","0.0707","","","0.1732","0.1805","","","","","","1.096","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207398","22.3163","0.0005","22.3163","0.0005","12.7222","0.0006","90","","90","","90","","6335.9","0.4","185","2","185","2","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","","","","- C25.9 H23.1 N5.3 Ni O5.3 -","- C22 H14 N4 Ni O4 -","- C176 H112 N32 Ni8 O32 -","8","1","","Su, Shengqun; Chen, Wan; Song, Xuezhi; Zhu, Min; Qin, Chao; Song, Shuyan; Guo, Zhiyong; Wang, Song; Hao, Zhaoming; Li, Guanghua; Zhang, Hongjie","Three unprecedented open frameworks based on a pyridyl-carboxylate: synthesis, structures and properties","CrystEngComm","2012","14","5","1681","","10.1039/c2ce05948g","","","0.71073","MoKα","","0.0602","0.047","","","0.1174","0.1225","","","","","","1.015","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7207399","6.1802","0.0004","29.4218","0.0018","23.3127","0.0014","90","","95.663","0.001","90","","4218.3","0.5","185","2","185","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H36 N8 O9 Zn2 -","- C39 H36 N8 O9 Zn2 -","- C156 H144 N32 O36 Zn8 -","4","1","","Su, Shengqun; Chen, Wan; Song, Xuezhi; Zhu, Min; Qin, Chao; Song, Shuyan; Guo, Zhiyong; Wang, Song; Hao, Zhaoming; Li, Guanghua; Zhang, Hongjie","Three unprecedented open frameworks based on a pyridyl-carboxylate: synthesis, structures and properties","CrystEngComm","2012","14","5","1681","","10.1039/c2ce05948g","","","0.71073","MoKα","","0.1023","0.063","","","0.1848","0.21","","","","","","1.062","","","","has coordinates","180404","2020-10-21","18:00:00",""
"7207400","8.1191","0.0005","18.8297","0.0011","18.7331","0.0012","90","","100.574","0.001","90","","2815.3","0.3","185","2","185","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H35 Cd N7 O7 -","- C22 H14 Cd N4 O4 -","- C88 H56 Cd4 N16 O16 -","4","1","","Su, Shengqun; Chen, Wan; Song, Xuezhi; Zhu, Min; Qin, Chao; Song, Shuyan; Guo, Zhiyong; Wang, Song; Hao, Zhaoming; Li, Guanghua; Zhang, Hongjie","Three unprecedented open frameworks based on a pyridyl-carboxylate: synthesis, structures and properties","CrystEngComm","2012","14","5","1681","","10.1039/c2ce05948g","","","0.71073","MoKα","","0.0502","0.0373","","","0.1009","0.1048","","","","","","1.03","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207401","24.803","0.0005","24.803","0.0005","16.3693","0.0003","90","","90","","120","","8721.1","0.3","293","2","293","2","","","","","","","","5","P 63/m","-P 6c","176","","","","- C96 H66 Co12 N15 O46 -","- C96 H66 Co12 N15 O46 -","- C192 H132 Co24 N30 O92 -","2","0.166667","","Chen, Qing; Xue, Wei; Wang, Bao-Ying; Zeng, Ming-Hua; Chen, Xiao-Ming","Unprecedented binodal (7,9)-connected network based on distinct tricobalt(ii) clusters: structure, topology and cooperative magnetism","CrystEngComm","2012","14","6","2009","","10.1039/c2ce06020e","","","0.71075","MoKα","","0.0806","0.0703","","","0.2174","0.2371","","","","","","1.047","","","","has coordinates,has disorder","180405","2020-10-21","18:00:00",""
"7207402","6.7174","0.0013","22.973","0.005","7.2182","0.0014","90","","100.255","0.002","90","","1096.1","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 Cd N4 O5 -","- C8 H8 Cd N4 O5 -","- C32 H32 Cd4 N16 O20 -","4","1","","Cai, Song-Liang; Pan, Mei; Zheng, Sheng-Run; Tan, Jing-Bo; Fan, Jun; Zhang, Wei-Guang","Anion-dependent assembly and solvent-mediated structural transformations of three Cd(ii) coordination polymers based on 1H-imidazole-4-carboxylic acid","CrystEngComm","2012","14","6","2308","","10.1039/c2ce06129e","","","0.71073","MoKα","","0.0265","0.0225","","","0.0545","0.0565","","","","","","1.061","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207403","11.2987","0.0013","19.407","0.002","8.4415","0.001","90","","90","","90","","1851","0.4","298","2","298","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C8 H6 Cd N4 O4 -","- C8 H6 Cd N4 O4 -","- C64 H48 Cd8 N32 O32 -","8","0.5","","Cai, Song-Liang; Pan, Mei; Zheng, Sheng-Run; Tan, Jing-Bo; Fan, Jun; Zhang, Wei-Guang","Anion-dependent assembly and solvent-mediated structural transformations of three Cd(ii) coordination polymers based on 1H-imidazole-4-carboxylic acid","CrystEngComm","2012","14","6","2308","","10.1039/c2ce06129e","","","0.71073","MoKα","","0.0246","0.024","","","0.0729","0.0738","","","","","","1.084","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207404","6.3478","0.0017","7.609","0.002","17.406","0.005","84.001","0.003","89.051","0.003","66.246","0.003","765","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H10 Cd2 N4 O10 S -","- C8 H10 Cd2 N4 O10 S -","- C16 H20 Cd4 N8 O20 S2 -","2","1","","Cai, Song-Liang; Pan, Mei; Zheng, Sheng-Run; Tan, Jing-Bo; Fan, Jun; Zhang, Wei-Guang","Anion-dependent assembly and solvent-mediated structural transformations of three Cd(ii) coordination polymers based on 1H-imidazole-4-carboxylic acid","CrystEngComm","2012","14","6","2308","","10.1039/c2ce06129e","","","0.71073","MoKα","","0.0587","0.0559","","","0.1857","0.1877","","","","","","1.096","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207405","14.0366","0.0005","8.0126","0.0003","17.497","0.0007","90","","98.2","0.004","90","","1947.76","0.13","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H28 Cl2 N8 O12 Zn -","- C34 H28 Cl2 N8 O12 Zn -","- C68 H56 Cl4 N16 O24 Zn2 -","2","0.5","","Li, Guo-Bi; He, Jian-Rong; Liu, Jun-Min; Su, Cheng-Yong","Anion effect on the structural diversity of three 1D coordination polymers based on a pyridyl diimide ligand","CrystEngComm","2012","14","6","2152","","10.1039/c2ce06147c","","","0.71073","MoKα","","0.1205","0.0765","","","0.2254","0.2725","","","","","","1.091","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207406","13.44","0.005","18.453","0.005","11.221","0.005","90","","107.95","0.005","90","","2647.4","1.7","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H16 Cl2 N4 O6 Zn -","- C26 H16 Cl2 N4 O6 Zn -","- C104 H64 Cl8 N16 O24 Zn4 -","4","0.5","","Li, Guo-Bi; He, Jian-Rong; Liu, Jun-Min; Su, Cheng-Yong","Anion effect on the structural diversity of three 1D coordination polymers based on a pyridyl diimide ligand","CrystEngComm","2012","14","6","2152","","10.1039/c2ce06147c","","","0.71073","MoKα","","0.0963","0.0563","","","0.1282","0.143","","","","","","1.005","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207407","8.5441","0.0006","9.5798","0.0007","12.6628","0.0009","71.189","0.006","87.143","0.006","78.616","0.006","961.69","0.13","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H24 F6 N4 O17 S2 Zn -","- C28 H24 F6 N4 O17 S2 Zn -","- C28 H24 F6 N4 O17 S2 Zn -","1","0.5","","Li, Guo-Bi; He, Jian-Rong; Liu, Jun-Min; Su, Cheng-Yong","Anion effect on the structural diversity of three 1D coordination polymers based on a pyridyl diimide ligand","CrystEngComm","2012","14","6","2152","","10.1039/c2ce06147c","","","1.54178","CuKα","","0.0598","0.0564","","","0.1742","0.1789","","","","","","1.02","","","","has coordinates,has disorder","180405","2020-10-21","18:00:00",""
"7207408","25.712","0.004","25.712","0.004","36.372","0.007","90","","90","","120","","20824","6","173","2","173","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C174 H168 Cl6 N18 Ni3 O27 -","- C174 H114 Cl6 N18 Ni3 O30 -","- C522 H342 Cl18 N54 Ni9 O90 -","3","0.0833333","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Zampese, Jennifer A.","Bucky-blocks: templating a coordination network with C60","CrystEngComm","2012","14","5","1770","","10.1039/c2ce06156b","","","0.71073","MoKα","","0.1154","0.1143","","","0.3369","0.3381","","","","","","1.262","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7207409","24.817","0.005","25.609","0.005","16.634","0.003","90","","90.25","0.03","90","","10571","4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C382 H416 Cl42 N48 Ni8 O30 -","- C382 H356 Cl42 N48 Ni8 O30 -","- C382 H356 Cl42 N48 Ni8 O30 -","1","0.25","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Zampese, Jennifer A.","Bucky-blocks: templating a coordination network with C60","CrystEngComm","2012","14","5","1770","","10.1039/c2ce06156b","","","0.71073","MoKα","","0.1186","0.0887","","","0.1981","0.2166","","","","","","1.08","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7207410","25.712","0.005","25.712","0.005","36.372","0.006","90","","90","","120","","20824","7","173","2","173","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C174 H114 Cl6 N18 Ni3 -","- C174 H114 Cl6 N18 Ni3 -","- C522 H342 Cl18 N54 Ni9 -","3","0.0833333","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Zampese, Jennifer A.","Bucky-blocks: templating a coordination network with C60","CrystEngComm","2012","14","5","1770","","10.1039/c2ce06156b","","","0.71073","MoKα","","0.0689","0.0657","","","0.1807","0.1845","","","","","","1.159","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7207411","10.185","0.005","10.983","0.005","14.243","0.005","88.775","0.005","72.634","0.005","75.77","0.005","1471.6","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H32 Cd N4 O12 -","- C25 H22 Cd N4 O12 -","- C50 H44 Cd2 N8 O24 -","2","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","A series of coordination polymers based on 5-(2-carboxybenzyloxy) isophthalic acid and bis(imidazole) ligands: syntheses, topological structures and photoluminescent properties","CrystEngComm","2012","14","6","2316","","10.1039/c2ce06176g","","","0.71069","MoKα","","0.1532","0.0737","","","0.1161","0.1425","","","","","","0.947","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207412","17.518","0.005","17.907","0.005","18.204","0.005","90","0.005","111.876","0.005","90","0.005","5299","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H50 N8 O17 Zn2 -","- C50 H43 N8 O17 Zn2 -","- C200 H172 N32 O68 Zn8 -","4","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","A series of coordination polymers based on 5-(2-carboxybenzyloxy) isophthalic acid and bis(imidazole) ligands: syntheses, topological structures and photoluminescent properties","CrystEngComm","2012","14","6","2316","","10.1039/c2ce06176g","","","0.71069","MoKα","","0.2063","0.0782","","","0.1399","0.1749","","","","","","1.144","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207413","20.322","0.005","7.679","0.005","16.703","0.005","90","0.005","90","0.005","90","0.005","2607","2","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H24 N4 O7 Zn -","- C26 H24 N4 O7 Zn -","- C104 H96 N16 O28 Zn4 -","4","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","A series of coordination polymers based on 5-(2-carboxybenzyloxy) isophthalic acid and bis(imidazole) ligands: syntheses, topological structures and photoluminescent properties","CrystEngComm","2012","14","6","2316","","10.1039/c2ce06176g","","","0.71069","MoKα","","0.0648","0.0461","","","0.116","0.1294","","","","","","1.03","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207414","9.6973","0.0006","11.1543","0.0007","11.5573","0.0007","92.228","0.005","94.339","0.005","95.885","0.005","1238.59","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 Co N4 O7 -","- C26 H24 Co N4 O7 -","- C52 H48 Co2 N8 O14 -","2","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","A series of coordination polymers based on 5-(2-carboxybenzyloxy) isophthalic acid and bis(imidazole) ligands: syntheses, topological structures and photoluminescent properties","CrystEngComm","2012","14","6","2316","","10.1039/c2ce06176g","","","0.71073","MoKα","","0.0882","0.0582","","","0.1122","0.1319","","","","","","1.049","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207415","12.846","0.005","12.858","0.005","13.629","0.005","89.363","0.005","84.024","0.005","76.58","0.005","2177.6","1.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H55.5 Co N8 O13.75 -","- C38 H52 Co N8 O13.75 -","- C76 H104 Co2 N16 O27.5 -","2","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","A series of coordination polymers based on 5-(2-carboxybenzyloxy) isophthalic acid and bis(imidazole) ligands: syntheses, topological structures and photoluminescent properties","CrystEngComm","2012","14","6","2316","","10.1039/c2ce06176g","","","0.71069","MoKα","","0.156","0.0739","","","0.138","0.173","","","","","","1.007","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207416","8.9508","0.0004","9.0335","0.0003","18.2518","0.0007","76.907","0.003","79.085","0.004","65.248","0.004","1297.89","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 Cu N4 O7 -","- C26 H24 Cu N4 O7 -","- C52 H48 Cu2 N8 O14 -","2","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","A series of coordination polymers based on 5-(2-carboxybenzyloxy) isophthalic acid and bis(imidazole) ligands: syntheses, topological structures and photoluminescent properties","CrystEngComm","2012","14","6","2316","","10.1039/c2ce06176g","","","0.71073","MoKα","","0.1229","0.073","","","0.1381","0.1602","","","","","","1.195","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207417","15.9321","0.0007","17.2033","0.0006","9.9871","0.0004","90","","90","","90","","2737.31","0.19","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C27 H26 Cu N4 O7 -","- C27 H26 Cu N4 O7 -","- C108 H104 Cu4 N16 O28 -","4","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","A series of coordination polymers based on 5-(2-carboxybenzyloxy) isophthalic acid and bis(imidazole) ligands: syntheses, topological structures and photoluminescent properties","CrystEngComm","2012","14","6","2316","","10.1039/c2ce06176g","","","0.71073","MoKα","","0.1115","0.0646","","","0.1321","0.1587","","","","","","1.052","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207418","11.291","0.002","13.235","0.003","15.436","0.003","73.8","0.03","72.74","0.03","79.37","0.03","2102.3","0.9","105","2","105","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H94 Cu6 La4 N12 O65 -","- C42 H94 Cu6 La4 N12 O65 -","- C42 H94 Cu6 La4 N12 O65 -","1","0.5","","Konidaris, Konstantis F.; Morrison, Christine N.; Servetas, John G.; Haukka, Matti; Lan, Yanhua; Powell, Annie K.; Plakatouras, John C.; Kostakis, George E.","Supramolecular assemblies involving metal‒organic ring interactions: heterometallic Cu(ii)‒Ln(iii) two-dimensional coordination polymers","CrystEngComm","2012","14","5","1842","","10.1039/c2ce06180e","","","0.71073","MoKα","","0.061","0.0517","","","0.1474","0.1559","","","","","","1.116","","","","has coordinates,has disorder","180405","2020-10-21","18:00:00",""
"7207419","11.19","0.002","13.181","0.003","15.356","0.003","73.7","0.03","72.87","0.03","79.78","0.03","2066.3","0.8","105","2","105","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H94 Cu6 N12 Nd4 O65 -","- C42 H94 Cu6 N12 Nd4 O65 -","- C42 H94 Cu6 N12 Nd4 O65 -","1","0.5","","Konidaris, Konstantis F.; Morrison, Christine N.; Servetas, John G.; Haukka, Matti; Lan, Yanhua; Powell, Annie K.; Plakatouras, John C.; Kostakis, George E.","Supramolecular assemblies involving metal‒organic ring interactions: heterometallic Cu(ii)‒Ln(iii) two-dimensional coordination polymers","CrystEngComm","2012","14","5","1842","","10.1039/c2ce06180e","","","0.71073","MoKα","","0.0518","0.0345","","","0.0832","0.0902","","","","","","1.044","","","","has coordinates,has disorder","180405","2020-10-21","18:00:00",""
"7207420","11.0485","0.0003","13.1016","0.0003","15.4028","0.0003","73.203","0.002","72.574","0.002","79.917","0.002","2026.92","0.09","105","2","105","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H94 Cu6 Gd4 N12 O65 -","- C42 H94 Cu6 Gd4 N12 O65 -","- C42 H94 Cu6 Gd4 N12 O65 -","1","0.5","","Konidaris, Konstantis F.; Morrison, Christine N.; Servetas, John G.; Haukka, Matti; Lan, Yanhua; Powell, Annie K.; Plakatouras, John C.; Kostakis, George E.","Supramolecular assemblies involving metal‒organic ring interactions: heterometallic Cu(ii)‒Ln(iii) two-dimensional coordination polymers","CrystEngComm","2012","14","5","1842","","10.1039/c2ce06180e","","","0.71073","MoKα","","0.0569","0.036","","","0.0748","0.082","","","","","","1.063","","","","has coordinates,has disorder","180405","2020-10-21","18:00:00",""
"7207421","25.054","0.002","13.2154","0.0009","17.3885","0.0013","90","","90","","90","","5757.3","0.7","293","2","293","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C16 H28 Cl2 Cu N12 O10 -","- C16 H28 Cl2 Cu N12 O10 -","- C128 H224 Cl16 Cu8 N96 O80 -","8","0.25","","Tian, Li; Chen, Zhi; Yu, Ao; Song, Hai-Bin; Cheng, Peng","Novel flexible bis-triazole bridged copper(ii) coordination polymers varying from one- to three-dimensionality","CrystEngComm","2012","14","6","2032","","10.1039/c2ce06204f","","","0.71073","MoKα","","0.0713","0.0616","","","0.1807","0.1874","","","","","","1.073","","","","has coordinates,has disorder","180405","2020-10-21","18:00:00",""
"7207422","9.1844","0.0007","13.1362","0.0014","8.2785","0.0007","90","","95.885","0.007","90","","993.52","0.16","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C10 H12 Cl2 Cu N12 O8 -","- C10 H12 Cl2 Cu N12 O8 -","- C20 H24 Cl4 Cu2 N24 O16 -","2","0.25","","Tian, Li; Chen, Zhi; Yu, Ao; Song, Hai-Bin; Cheng, Peng","Novel flexible bis-triazole bridged copper(ii) coordination polymers varying from one- to three-dimensionality","CrystEngComm","2012","14","6","2032","","10.1039/c2ce06204f","","","0.71073","MoKα","","0.0563","0.0417","","","0.1021","0.1062","","","","","","1.048","","","","has coordinates,has disorder","180405","2020-10-21","18:00:00",""
"7207423","14.198","0.0006","21.2033","0.0006","8.7574","0.0003","90","","90","","90","","2636.37","0.16","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C12 H22 Cl2 Cu N12 O11 -","- C12 H16 Cl2 Cu N12 O11 -","- C48 H64 Cl8 Cu4 N48 O44 -","4","0.5","","Tian, Li; Chen, Zhi; Yu, Ao; Song, Hai-Bin; Cheng, Peng","Novel flexible bis-triazole bridged copper(ii) coordination polymers varying from one- to three-dimensionality","CrystEngComm","2012","14","6","2032","","10.1039/c2ce06204f","","","0.71073","MoKα","","0.086","0.0661","","","0.1854","0.2057","","","","","","1.072","","","","has coordinates,has disorder","180405","2020-10-21","18:00:00",""
"7207424","18.2592","0.0006","12.6726","0.0004","12.0365","0.0005","90","","90","","90","","2785.14","0.17","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C14 H27 Cl2 Cu N12 O11.5 -","- C14 H27 Cl2 Cu N12 O11.5 -","- C56 H108 Cl8 Cu4 N48 O46 -","4","1","","Tian, Li; Chen, Zhi; Yu, Ao; Song, Hai-Bin; Cheng, Peng","Novel flexible bis-triazole bridged copper(ii) coordination polymers varying from one- to three-dimensionality","CrystEngComm","2012","14","6","2032","","10.1039/c2ce06204f","","","0.71073","MoKα","","0.0386","0.0348","","","0.0954","0.0968","","","","","","1.108","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207425","9.991","0.005","16.421","0.005","15.645","0.005","90","","108.492","0.005","90","","2434.2","1.6","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 F3 N O -","- C14 H10 F3 N O -","- C112 H80 F24 N8 O8 -","8","2","","Panini, Piyush; Chopra, Deepak","Role of intermolecular interactions involving organic fluorine in trifluoromethylated benzanilides","CrystEngComm","2012","14","6","1972","","10.1039/c2ce06254b","","","0.71073","MoKα","","0.0663","0.0551","","","0.1276","0.13","","","","","","1.269","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207426","5.359","0.005","7.714","0.005","14.242","0.005","77.099","0.005","81.606","0.005","89.607","0.005","567.5","0.7","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H10 F3 N O -","- C14 H10 F3 N O -","- C28 H20 F6 N2 O2 -","2","1","","Panini, Piyush; Chopra, Deepak","Role of intermolecular interactions involving organic fluorine in trifluoromethylated benzanilides","CrystEngComm","2012","14","6","1972","","10.1039/c2ce06254b","","","0.71073","MoKα","","0.052","0.04","","","0.1037","0.1078","","","","","","1.093","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207427","9.052","0.005","9.052","0.005","15.156","0.005","90","","90","","90","","1241.9","1.1","120","2","120","2","","","","","","","","5","P 41","P 4w","76","","","","- C14 H10 F3 N O -","- C14 H10 F3 N O -","- C56 H40 F12 N4 O4 -","4","1","","Panini, Piyush; Chopra, Deepak","Role of intermolecular interactions involving organic fluorine in trifluoromethylated benzanilides","CrystEngComm","2012","14","6","1972","","10.1039/c2ce06254b","","","0.71073","MoKα","","0.0438","0.0334","","","0.0714","0.0742","","","","","","1.014","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207428","13.8471","0.0004","8.6097","0.0002","10.0943","0.0003","90","","100.131","0.003","90","","1184.67","0.06","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 F3 N O -","- C14 H10 F3 N O -","- C56 H40 F12 N4 O4 -","4","1","","Panini, Piyush; Chopra, Deepak","Role of intermolecular interactions involving organic fluorine in trifluoromethylated benzanilides","CrystEngComm","2012","14","6","1972","","10.1039/c2ce06254b","","","0.71073","MoKα","","0.0706","0.0492","","","0.1127","0.1297","","","","","","1.031","","","","has coordinates,has disorder","180405","2020-10-21","18:00:00",""
"7207429","9.034","0.005","13.743","0.005","11.372","0.005","90","","90","","90","","1411.9","1.1","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H9 F6 N O -","- C15 H9 F6 N O -","- C60 H36 F24 N4 O4 -","4","1","","Panini, Piyush; Chopra, Deepak","Role of intermolecular interactions involving organic fluorine in trifluoromethylated benzanilides","CrystEngComm","2012","14","6","1972","","10.1039/c2ce06254b","","","0.71073","MoKα","","0.0502","0.0399","","","0.1008","0.1047","","","","","","1.023","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207430","12.059","0.005","12.54","0.005","8.884","0.005","90","","91.804","0.005","90","","1342.8","1.1","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H9 F6 N O -","- C15 H9 F6 N O -","- C60 H36 F24 N4 O4 -","4","1","","Panini, Piyush; Chopra, Deepak","Role of intermolecular interactions involving organic fluorine in trifluoromethylated benzanilides","CrystEngComm","2012","14","6","1972","","10.1039/c2ce06254b","","","0.71073","MoKα","","0.1001","0.0539","","","0.1244","0.1371","","","","","","1.012","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207431","12.8346","0.0008","8.061","0.005","14.155","0.005","90","","108.35","0.005","90","","1390","1","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H9 F6 N O -","- C15 H9 F6 N O -","- C60 H36 F24 N4 O4 -","4","1","","Panini, Piyush; Chopra, Deepak","Role of intermolecular interactions involving organic fluorine in trifluoromethylated benzanilides","CrystEngComm","2012","14","6","1972","","10.1039/c2ce06254b","","","0.71073","MoKα","","0.0976","0.0445","","","0.1031","0.1157","","","","","","0.976","","","","has coordinates,has disorder","180405","2020-10-21","18:00:00",""
"7207432","25.559","0.005","11.622","0.005","9.509","0.005","90","","90","","90","","2825","2","120","2","120","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C15 H9 F6 N O -","- C15 H9 F6 N O -","- C120 H72 F48 N8 O8 -","8","1","","Panini, Piyush; Chopra, Deepak","Role of intermolecular interactions involving organic fluorine in trifluoromethylated benzanilides","CrystEngComm","2012","14","6","1972","","10.1039/c2ce06254b","","","0.71073","MoKα","","0.0783","0.0538","","","0.1461","0.1572","","","","","","1.1","","","","has coordinates,has disorder","180405","2020-10-21","18:00:00",""
"7207433","5.2019","0.0003","14.3865","0.0007","18.1844","0.0009","90","","97.367","0.005","90","","1349.63","0.12","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H9 F6 N O -","- C15 H9 F6 N O -","- C60 H36 F24 N4 O4 -","4","1","","Panini, Piyush; Chopra, Deepak","Role of intermolecular interactions involving organic fluorine in trifluoromethylated benzanilides","CrystEngComm","2012","14","6","1972","","10.1039/c2ce06254b","","","0.71073","MoKα","","0.0851","0.0568","","","0.1331","0.1504","","","","","","1.083","","","","has coordinates,has disorder","180405","2020-10-21","18:00:00",""
"7207434","21.2145","0.0013","6.779","0.0003","9.7179","0.0005","90","","100.886","0.005","90","","1372.41","0.13","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H9 F6 N O -","- C15 H9 F6 N O -","- C60 H36 F24 N4 O4 -","4","0.5","","Panini, Piyush; Chopra, Deepak","Role of intermolecular interactions involving organic fluorine in trifluoromethylated benzanilides","CrystEngComm","2012","14","6","1972","","10.1039/c2ce06254b","","","0.71073","MoKα","","0.073","0.0481","","","0.1106","0.1282","","","","","","1.032","","","","has coordinates,has disorder","180405","2020-10-21","18:00:00",""
"7207435","8.6642","0.0003","11.7031","0.0004","22.3567","0.0006","86.773","0.002","86.541","0.002","86.636","0.002","2255.73","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H56 B2 F4 N6 -","- C49 H56 B2 F4 N6 -","- C98 H112 B4 F8 N12 -","2","1","","Xi, He; Yuan, Chun-Xue; Li, Ye-Xin; Liu, Yang; Tao, Xu-Tang","Crystal structures and solid-state fluorescence of BODIPY dyes based on Λ-shaped Tröger's base","CrystEngComm","2012","14","6","2087","","10.1039/c2ce06260g","","","0.71073","MoKα","","0.0747","0.0424","","","0.107","0.1152","","","","","","0.954","","","","has coordinates,has disorder","180405","2020-10-21","18:00:00",""
"7207436","13.734","0.002","14.564","0.002","21.08","0.003","90","","103.102","0.002","90","","4106.7","1","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H40 B2 F4 N6 -","- C41 H40 B2 F4 N6 -","- C164 H160 B8 F16 N24 -","4","1","","Xi, He; Yuan, Chun-Xue; Li, Ye-Xin; Liu, Yang; Tao, Xu-Tang","Crystal structures and solid-state fluorescence of BODIPY dyes based on Λ-shaped Tröger's base","CrystEngComm","2012","14","6","2087","","10.1039/c2ce06260g","","","0.71073","MoKα","","0.0917","0.0634","","","0.1863","0.1972","","","","","","1.101","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207437","9.9923","0.0009","39.407","0.004","14.7337","0.0014","90","","94.433","0.002","90","","5784.3","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H92 F2 N8 O7.5 -","- C52 H92 F2 N8 O7.52 -","- C208 H368 F8 N32 O30.08 -","4","1","","Dalapati, Sasanka; Akhtarul Alam, Md.; Saha, Rajat; Jana, Sankar; Guchhait, Nikhil","An efficient size-selective anion binding cleft-shaped receptor: A novel [F2(H2O)3]2− cluster with pseudo-encapsulated F− ion","CrystEngComm","2012","14","5","1527","","10.1039/c2ce06286k","","","0.71073","MoKα","","0.1355","0.106","","","0.2722","0.2911","","","","","","1.072","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207438","11.499","0.005","11.793","0.005","12.374","0.005","94.564","0.007","101.799","0.007","105.126","0.007","1569.9","1.1","133","2","133","2","","","","","","","","5","P 1","P 1","1","","6(4)-O-CAMPHORSULPHONYL 1,2,3,4(6),5-O-PENTA ACETYL MYO-INOSITOL","","- C26 H36.5 Cl0.5 O14 S -","- C26.125 H36.25 Cl0.25 O14 S -","- C52.25 H72.5 Cl0.5 O28 S2 -","2","2","","Manoj, K.; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Solvent induced crystallization of 1,2,3,4(6),5-penta-O-acetyl-6(4)-O-[(1S)-10-camphor sulfonyl]-myo-inositol diastereomers associated via weak trifurcated C‒H⋯O interactions","CrystEngComm","2012","14","5","1716","","10.1039/c2ce06287a","","","0.71073","MoKα","","0.1169","0.0779","","","0.1893","0.2207","","","","","","1.008","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207439","12.404","0.004","12.492","0.004","13.331","0.004","99.188","0.005","109.62","0.005","116.837","0.004","1612.7","0.9","133","2","133","2","","","","","","","","5","P 1","P 1","1","","6(4)-O-CAMPHORSULFONYL 1,2,3,4(6),5-O-PENTA ACETYL MYO-INOSITOL","","- C28 H39 N O14.5 S -","- C28 H39 N O14.25 S -","- C56 H78 N2 O28.5 S2 -","2","2","","Manoj, K.; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Solvent induced crystallization of 1,2,3,4(6),5-penta-O-acetyl-6(4)-O-[(1S)-10-camphor sulfonyl]-myo-inositol diastereomers associated via weak trifurcated C‒H⋯O interactions","CrystEngComm","2012","14","5","1716","","10.1039/c2ce06287a","","","0.71073","MoKα","","0.0412","0.0398","","","0.1044","0.1061","","","","","","1.04","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207440","12.401","0.004","12.587","0.004","13.25","0.004","98.697","0.005","108.729","0.005","117.919","0.004","1614.4","0.9","133","2","133","2","","","","","","","","5","P 1","P 1","1","","6(4)-O-CAMPHORSULFONYL 1,2,3,4(6),5-O-PENTA ACETYL MYO-INOSITOL","","- C27 H39 N O16 S -","- C27 H39 N O16.125 S -","- C54 H78 N2 O32.25 S2 -","2","2","","Manoj, K.; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Solvent induced crystallization of 1,2,3,4(6),5-penta-O-acetyl-6(4)-O-[(1S)-10-camphor sulfonyl]-myo-inositol diastereomers associated via weak trifurcated C‒H⋯O interactions","CrystEngComm","2012","14","5","1716","","10.1039/c2ce06287a","","","0.71073","MoKα","","0.0836","0.0811","","","0.2324","0.2352","","","","","","1.091","","","","has coordinates,has disorder","180405","2020-10-21","18:00:00",""
"7207441","13.597","0.004","14.351","0.004","17.818","0.005","90","","91.466","0.005","90","","3475.7","1.7","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1,2,3,4(6),5-O-PENTA ACETYL 6(4)-O-CAMPHORSULFONYL MYO-INOSITOL","","- C28.25 H40.5 O14.75 S -","- C28.25 H40.5 O14.755 S -","- C113 H162 O59.02 S4 -","4","2","","Manoj, K.; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Solvent induced crystallization of 1,2,3,4(6),5-penta-O-acetyl-6(4)-O-[(1S)-10-camphor sulfonyl]-myo-inositol diastereomers associated via weak trifurcated C‒H⋯O interactions","CrystEngComm","2012","14","5","1716","","10.1039/c2ce06287a","","","0.71073","MoKα","","0.0754","0.0631","","","0.1702","0.1845","","","","","","1.033","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207442","13.857","0.003","14.298","0.003","17.717","0.004","90","","90.651","0.004","90","","3510","1.3","133","2","133","2","","","","","","","","5","P 1 21 1","P 2yb","4","","6(4)-O-CAMPHORSULFONYL 1,2,3,4(6),5-O-PENTA ACETYL MYO-INOSITOL","","- C26.75 H36.75 Cl2.5 O14 S -","- C26.75 H36.75 Cl2.25 O14 S -","- C107 H147 Cl9 O56 S4 -","4","2","","Manoj, K.; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Solvent induced crystallization of 1,2,3,4(6),5-penta-O-acetyl-6(4)-O-[(1S)-10-camphor sulfonyl]-myo-inositol diastereomers associated via weak trifurcated C‒H⋯O interactions","CrystEngComm","2012","14","5","1716","","10.1039/c2ce06287a","","","0.71073","MoKα","","0.0804","0.064","","","0.1726","0.1894","","","","","","1.028","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207443","13.39","0.02","14.35","0.03","17.54","0.03","90","","91.55","0.02","90","","3369","10","133","2","133","2","","","","","","","","5","P 1 21 1","P 2yb","4","","6(4)-O-CAMPHORSULFONYL 1,2,3,4(6),5-O-PENTA ACETYL MYO-INOSITOL","","- C28 H40 Cl2 O14 S -","- C28 H40 Cl2.005 O14 S -","- C112 H160 Cl8.02 O56 S4 -","4","2","","Manoj, K.; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Solvent induced crystallization of 1,2,3,4(6),5-penta-O-acetyl-6(4)-O-[(1S)-10-camphor sulfonyl]-myo-inositol diastereomers associated via weak trifurcated C‒H⋯O interactions","CrystEngComm","2012","14","5","1716","","10.1039/c2ce06287a","","","0.71073","MoKα","","0.0684","0.0519","","","0.1233","0.1301","","","","","","0.982","","","","has coordinates,has disorder","180405","2020-10-21","18:00:00",""
"7207444","13.463","0.002","14.451","0.003","17.848","0.003","90","","91.363","0.003","90","","3471.4","1.1","133","2","133","2","","","","","","","","5","P 1 21 1","P 2yb","4","","6(4)-O-CAMPHORSULFONYL 1,2,3,4(6),5-O-PENTA ACETYL MYO-INOSITOL","","- C27 H38 Cl2 O14 S -","- C27 H38 Cl2 O14 S -","- C108 H152 Cl8 O56 S4 -","4","2","","Manoj, K.; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Solvent induced crystallization of 1,2,3,4(6),5-penta-O-acetyl-6(4)-O-[(1S)-10-camphor sulfonyl]-myo-inositol diastereomers associated via weak trifurcated C‒H⋯O interactions","CrystEngComm","2012","14","5","1716","","10.1039/c2ce06287a","","","0.71073","MoKα","","0.0966","0.0785","","","0.2091","0.2286","","","","","","1.022","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207445","19.885","0.004","4.208","0.0008","13.807","0.003","90","","100.83","0.03","90","","1134.7","0.4","223","2","223","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C21 H15 Cu2 I2 N4 S2 -","- C21 H13 Cu2 I2 N4 S2 -","- C42 H26 Cu4 I4 N8 S4 -","2","0.5","","Yang, Xiao-Juan; Li, Hong-Xi; Xu, Zhong-Lin; Li, Hai-Yan; Ren, Zhi-Gang; Lang, Jian-Ping","Spacer length-controlled assembly of [CunIn]-based coordination polymers from CuI and bis(4-phenylpyrimidine-2-thio)alkane ligands","CrystEngComm","2012","14","5","1641","","10.1039/c2ce06312c","","","0.71073","MoKα","","0.0562","0.056","","","0.1272","0.1273","","","","","","1.025","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207446","7.6628","0.0015","8.355","0.0017","11.668","0.002","95.2","0.03","102.55","0.03","93.44","0.03","723.7","0.3","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H9 Cu2 I2 N2 S -","- C11 H9 Cu2 I2 N2 S -","- C22 H18 Cu4 I4 N4 S2 -","2","1","","Yang, Xiao-Juan; Li, Hong-Xi; Xu, Zhong-Lin; Li, Hai-Yan; Ren, Zhi-Gang; Lang, Jian-Ping","Spacer length-controlled assembly of [CunIn]-based coordination polymers from CuI and bis(4-phenylpyrimidine-2-thio)alkane ligands","CrystEngComm","2012","14","5","1641","","10.1039/c2ce06312c","","","0.71073","MoKα","","0.0399","0.0309","","","0.0734","0.0744","","","","","","1.026","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207447","10.357","0.002","11.51","0.002","13.13","0.003","93.44","0.03","102.57","0.03","97.87","0.03","1506.8","0.6","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H23 Cu3 I3 N5 S2 -","- C25 H23 Cu3 I3 N5 S2 -","- C50 H46 Cu6 I6 N10 S4 -","2","1","","Yang, Xiao-Juan; Li, Hong-Xi; Xu, Zhong-Lin; Li, Hai-Yan; Ren, Zhi-Gang; Lang, Jian-Ping","Spacer length-controlled assembly of [CunIn]-based coordination polymers from CuI and bis(4-phenylpyrimidine-2-thio)alkane ligands","CrystEngComm","2012","14","5","1641","","10.1039/c2ce06312c","","","0.71073","MoKα","","0.0525","0.0483","","","0.1305","0.1341","","","","","","1.082","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207448","7.7834","0.0016","9.768","0.002","11.779","0.002","110.16","0.03","91.73","0.03","109.35","0.03","782.6","0.4","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H14 Cu I N3 S -","- C14 H14 Cu I N3 S -","- C28 H28 Cu2 I2 N6 S2 -","2","1","","Yang, Xiao-Juan; Li, Hong-Xi; Xu, Zhong-Lin; Li, Hai-Yan; Ren, Zhi-Gang; Lang, Jian-Ping","Spacer length-controlled assembly of [CunIn]-based coordination polymers from CuI and bis(4-phenylpyrimidine-2-thio)alkane ligands","CrystEngComm","2012","14","5","1641","","10.1039/c2ce06312c","","","0.71073","MoKα","","0.0372","0.0306","","","0.0702","0.0709","","","","","","1.017","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207449","10.868","0.002","13.951","0.003","19.474","0.004","86.82","0.03","88.76","0.03","76.72","0.03","2869.1","1.1","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H24 Cu2 I2 N4 S2 -","- C25 H24 Cu2 I2 N4 S2 -","- C100 H96 Cu8 I8 N16 S8 -","4","2","","Yang, Xiao-Juan; Li, Hong-Xi; Xu, Zhong-Lin; Li, Hai-Yan; Ren, Zhi-Gang; Lang, Jian-Ping","Spacer length-controlled assembly of [CunIn]-based coordination polymers from CuI and bis(4-phenylpyrimidine-2-thio)alkane ligands","CrystEngComm","2012","14","5","1641","","10.1039/c2ce06312c","","","0.71073","MoKα","","0.0893","0.0648","","","0.1107","0.1219","","","","","","1.151","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207450","9.889","0.002","10.169","0.002","10.898","0.002","91.87","0.03","95.71","0.03","116.91","0.03","968.7","0.4","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H16 Cu2 I2 N3 S -","- C15 H16 Cu2 I2 N3 S -","- C30 H32 Cu4 I4 N6 S2 -","2","1","","Yang, Xiao-Juan; Li, Hong-Xi; Xu, Zhong-Lin; Li, Hai-Yan; Ren, Zhi-Gang; Lang, Jian-Ping","Spacer length-controlled assembly of [CunIn]-based coordination polymers from CuI and bis(4-phenylpyrimidine-2-thio)alkane ligands","CrystEngComm","2012","14","5","1641","","10.1039/c2ce06312c","","","0.71073","MoKα","","0.0468","0.0331","","","0.0749","0.0784","","","","","","0.945","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207451","13.974","0.005","19.181","0.007","12.84","0.005","90","","117.009","0.003","90","","3066","2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H28 Co N2 O12 -","- C34 H28 Co N2 O12 -","- C136 H112 Co4 N8 O48 -","4","0.5","","Zhang, Xiu-Tang; Fan, Li-Ming; Zhao, Xian; Sun, Di; Li, Da-Cheng; Dou, Jian-Min","Syntheses, crystal structures, and properties of five mixed-ligand coordination polymers based on novel quaterphenyl-2,5,2′,5′-tetracarboxylic acid ligand","CrystEngComm","2012","14","6","2053","","10.1039/c2ce06329h","","","0.71073","MoKα","","0.077","0.0493","","","0.0786","0.087","","","","","","0.998","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207452","18.101","0.004","15.391","0.004","16.678","0.004","90","","111.648","0.003","90","","4318.6","1.8","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H13 Cu N2 O4 -","- C23 H13 Cu N2 O4 -","- C184 H104 Cu8 N16 O32 -","8","1","","Zhang, Xiu-Tang; Fan, Li-Ming; Zhao, Xian; Sun, Di; Li, Da-Cheng; Dou, Jian-Min","Syntheses, crystal structures, and properties of five mixed-ligand coordination polymers based on novel quaterphenyl-2,5,2′,5′-tetracarboxylic acid ligand","CrystEngComm","2012","14","6","2053","","10.1039/c2ce06329h","","","0.71073","MoKα","","0.1217","0.0772","","","0.1892","0.2194","","","","","","1.006","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207453","11.749","0.002","12.01","0.002","14.524","0.003","90","","99.314","0.002","90","","2022.4","0.6","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H15 Mn N2 O5 -","- C23 H15 Mn N2 O5 -","- C92 H60 Mn4 N8 O20 -","4","1","","Zhang, Xiu-Tang; Fan, Li-Ming; Zhao, Xian; Sun, Di; Li, Da-Cheng; Dou, Jian-Min","Syntheses, crystal structures, and properties of five mixed-ligand coordination polymers based on novel quaterphenyl-2,5,2′,5′-tetracarboxylic acid ligand","CrystEngComm","2012","14","6","2053","","10.1039/c2ce06329h","","","0.71073","MoKα","","0.0699","0.0526","","","0.161","0.1735","","","","","","1.112","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207454","14.05","0.002","19.069","0.003","12.814","0.003","90","","117.154","0.001","90","","3054.7","1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H28 N2 Ni O12 -","- C34 H28 N2 Ni O12 -","- C136 H112 N8 Ni4 O48 -","4","0.5","","Zhang, Xiu-Tang; Fan, Li-Ming; Zhao, Xian; Sun, Di; Li, Da-Cheng; Dou, Jian-Min","Syntheses, crystal structures, and properties of five mixed-ligand coordination polymers based on novel quaterphenyl-2,5,2′,5′-tetracarboxylic acid ligand","CrystEngComm","2012","14","6","2053","","10.1039/c2ce06329h","","","0.71073","MoKα","","0.081","0.0538","","","0.1137","0.1262","","","","","","1.002","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207455","22.908","0.003","14.679","0.003","18.591","0.004","90","","116.921","0.003","90","","5574.1","1.8","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H42 N4 O18 Zn3 -","- C68 H42 N4 O18 Zn3 -","- C272 H168 N16 O72 Zn12 -","4","0.5","","Zhang, Xiu-Tang; Fan, Li-Ming; Zhao, Xian; Sun, Di; Li, Da-Cheng; Dou, Jian-Min","Syntheses, crystal structures, and properties of five mixed-ligand coordination polymers based on novel quaterphenyl-2,5,2′,5′-tetracarboxylic acid ligand","CrystEngComm","2012","14","6","2053","","10.1039/c2ce06329h","","","0.71073","MoKα","","0.0621","0.0506","","","0.1534","0.1628","","","","","","1.002","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207456","7.8961","0.0016","18.24","0.004","17.618","0.003","90","","96.23","0.03","90","","2522.4","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H40 N12 Ni2 O13 -","- C54 H40 N12 Ni2 O13 -","- C108 H80 N24 Ni4 O26 -","2","0.5","","Liu, Yu; Li, Ning; Li, Le; Guo, Hui-Lin; Wang, Xiao-Fang; Li, Zuo-Xi","One-pot synthesis of two pillar-layer frameworks: coordination polymorphs deriving from different linking modes of 1,3,5-benzenetricarboxylate","CrystEngComm","2012","14","6","2080","","10.1039/c2ce06345j","","","0.71073","MoKα","","0.0657","0.0464","","","0.0886","0.0946","","","","","","1.106","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207457","10.047","0.002","12.658","0.003","13.494","0.003","86.56","0.03","71.43","0.03","72.16","0.03","1547.2","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H52 N12 Ni3 O19 -","- C55 H52 N12 Ni3 O19 -","- C55 H52 N12 Ni3 O19 -","1","0.5","","Liu, Yu; Li, Ning; Li, Le; Guo, Hui-Lin; Wang, Xiao-Fang; Li, Zuo-Xi","One-pot synthesis of two pillar-layer frameworks: coordination polymorphs deriving from different linking modes of 1,3,5-benzenetricarboxylate","CrystEngComm","2012","14","6","2080","","10.1039/c2ce06345j","","","0.71073","MoKα","","0.0737","0.0538","","","0.1273","0.1347","","","","","","1.103","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207458","23.567","0.0006","23.567","0.0006","46.997","0.002","90","","90","","90","","26102.3","1.5","123","0","123","0","","","","","","","","5","P 4/m c c","-P 4 2c","124","","","","- C54 H41 Cu6 N O36 -","- C54 H24 Cu6 N O35.75 -","- C432 H192 Cu48 N8 O286 -","8","0.5","","Li, Chuanqiang; Qiu, Wenge; Shi, Wei; Song, Haibin; Bai, Guangmei; He, Hong; Li, Jian; Zaworotko, Michael J.","A pcu-type metal‒organic framework based on covalently quadruple cross-linked supramolecular building blocks (SBBs): structure and adsorption properties","CrystEngComm","2012","14","6","1929","","10.1039/c2ce06384k","","","0.71073","MoKα","","0.0768","0.055","","","0.1588","0.1686","","","","","","0.537","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207459","9.47497","0.00016","10.17469","0.00014","14.53205","0.00025","90","","90","","90","","1400.96","0.04","298","","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(R)-Mandelsaeure-(R)-Prolinamid","(R)-Mandelsaeure-(R)-Prolinamid","","- C13 H18 N2 O4 -","- C13 H18 N2 O4 -","- C52 H72 N8 O16 -","4","1","","Bock, Dominique Anna; Lehmann, Christian W.","Chirality determination from X-ray powder data—diastereomeric co-crystals of mandelic acid and proline amide","CrystEngComm","2012","14","5","1534","","10.1039/c2ce06427h","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","1.365","","","","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207460","9.32239","0.00021","10.09939","0.00022","14.71604","0.00033","90","","90","","90","","1385.52","0.05","298","","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(S)-Mandelsaeure-(R)-Prolinamid","(S)-Mandelsaeure-(R)-Prolinamid","","- C13 H18 N2 O4 -","- C13 H18 N2 O4 -","- C52 H72 N8 O16 -","4","1","","Bock, Dominique Anna; Lehmann, Christian W.","Chirality determination from X-ray powder data—diastereomeric co-crystals of mandelic acid and proline amide","CrystEngComm","2012","14","5","1534","","10.1039/c2ce06427h","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","1.444","","","","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207461","3.8288","0.0002","10.6688","0.0005","12.0072","0.0006","67.07","0.003","89.415","0.003","87.226","0.003","451.17","0.04","150","2","150","2","","","","","","","","4","P -1","-P 1","2","Quinoline/fumaric acid (2:1)","","","- C22 H18 N2 O4 -","- C22 H18 N2 O4 -","- C22 H18 N2 O4 -","1","0.5","","Bekö, Sándor L.; Schmidt, Martin U.; Bond, Andrew D.","An experimental screen for quinoline/fumaric acid salts and co-crystals","CrystEngComm","2012","14","6","1967","","10.1039/c2ce06439a","","","0.71073","MoKα","","0.043","0.031","","","0.0747","0.0807","","","","","","1.034","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207462","3.8896","0.0002","19.6117","0.0013","13.0475","0.0008","90","","92.417","0.003","90","","994.4","0.1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","6-Methylquinoline/fumaric acid (2:1)","","","- C24 H22 N2 O4 -","- C24 H22 N2 O4 -","- C48 H44 N4 O8 -","2","0.5","","Bekö, Sándor L.; Schmidt, Martin U.; Bond, Andrew D.","An experimental screen for quinoline/fumaric acid salts and co-crystals","CrystEngComm","2012","14","6","1967","","10.1039/c2ce06439a","","","0.71073","MoKα","","0.0571","0.0494","","","0.1291","0.1355","","","","","","1.137","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207463","3.8588","0.0002","19.5187","0.0011","13.072","0.0008","90","","92.465","0.003","90","","983.66","0.1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","75% 6-Methylquinoline/fumaric acid (2:1) 25% Quinoline/fumaric acid (2:1)","","","- C23.5 H21 N2 O4 -","- C23.5 H21 N2 O4 -","- C47 H42 N4 O8 -","2","0.5","","Bekö, Sándor L.; Schmidt, Martin U.; Bond, Andrew D.","An experimental screen for quinoline/fumaric acid salts and co-crystals","CrystEngComm","2012","14","6","1967","","10.1039/c2ce06439a","","","0.71073","MoKα","","0.0644","0.041","","","0.0921","0.1011","","","","","","1.037","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207464","6.387","0.005","6.888","0.005","15.845","0.005","79.079","0.005","85.111","0.005","82.479","0.005","677.3","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H13 O5 P -","- C14 H13 O5 P -","- C28 H26 O10 P2 -","2","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin; Liu, Bo","0D, 2D and 3D metal phosphonates assembled from a new 2′-carboxybiphenyl-4-ylmethylphosphonic acid: Syntheses, topological structures and photoluminescent properties","CrystEngComm","2012","14","6","2268","","10.1039/c2ce06479k","","","0.71069","MoKα","","0.0701","0.0504","","","0.1278","0.1452","","","","","","1.051","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207465","5.1625","0.0003","9.7839","0.0006","14.709","0.0013","90","","90.773","0.006","90","","742.87","0.09","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H13 Cu O6 P -","- C14 H11 Cu O6 P -","- C28 H22 Cu2 O12 P2 -","2","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin; Liu, Bo","0D, 2D and 3D metal phosphonates assembled from a new 2′-carboxybiphenyl-4-ylmethylphosphonic acid: Syntheses, topological structures and photoluminescent properties","CrystEngComm","2012","14","6","2268","","10.1039/c2ce06479k","","","0.71073","MoKα","","0.0442","0.0394","","","0.0676","0.0709","","","","","","0.993","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207466","13.647","0.001","12.2255","0.0005","10.0282","0.0004","90","","97.675","0.005","90","","1658.13","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25.5 Cu5 O15 P2 -","- C28 H20 Cu5 O14.82 P2 -","- C56 H40 Cu10 O29.64 P4 -","2","0.5","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin; Liu, Bo","0D, 2D and 3D metal phosphonates assembled from a new 2′-carboxybiphenyl-4-ylmethylphosphonic acid: Syntheses, topological structures and photoluminescent properties","CrystEngComm","2012","14","6","2268","","10.1039/c2ce06479k","","","0.71073","MoKα","","0.0917","0.06","","","0.1329","0.1539","","","","","","1.095","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207467","15.076","0.005","10.156","0.005","19.074","0.005","90","0.005","99.099","0.005","90","0.005","2883.7","1.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 O11 P2 Zn3 -","- C28 H20 O11 P2 Zn3 -","- C112 H80 O44 P8 Zn12 -","4","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin; Liu, Bo","0D, 2D and 3D metal phosphonates assembled from a new 2′-carboxybiphenyl-4-ylmethylphosphonic acid: Syntheses, topological structures and photoluminescent properties","CrystEngComm","2012","14","6","2268","","10.1039/c2ce06479k","","","0.71069","MoKα","","0.0747","0.0468","","","0.091","0.1039","","","","","","1.031","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207468","10.5652","0.0002","17.5422","0.0004","25.6946","0.0006","90","","90","","90","","4762.16","0.18","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C52 H40 N4 O12 P2 Zn3 -","- C52 H36 N4 O12 P2 Zn3 -","- C208 H144 N16 O48 P8 Zn12 -","4","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin; Liu, Bo","0D, 2D and 3D metal phosphonates assembled from a new 2′-carboxybiphenyl-4-ylmethylphosphonic acid: Syntheses, topological structures and photoluminescent properties","CrystEngComm","2012","14","6","2268","","10.1039/c2ce06479k","","","0.71073","MoKα","","0.0446","0.0361","","","0.0674","0.0712","","","","","","1.042","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207469","10.151","0.005","9.687","0.005","29.778","0.005","90","0.005","90","0.005","90","0.005","2928","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H24 Cd3 O12 P2 -","- C28 H24 Cd3 O12 P2 -","- C112 H96 Cd12 O48 P8 -","4","0.5","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin; Liu, Bo","0D, 2D and 3D metal phosphonates assembled from a new 2′-carboxybiphenyl-4-ylmethylphosphonic acid: Syntheses, topological structures and photoluminescent properties","CrystEngComm","2012","14","6","2268","","10.1039/c2ce06479k","","","0.71069","MoKα","","0.0323","0.028","","","0.0564","0.0585","","","","","","1.055","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207470","14.8874","0.0007","10.9755","0.0004","9.8754","0.0004","90","","93.096","0.004","90","","1611.25","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Cd2 O7.5 P -","- C14 H10 Cd2 O7.5 P -","- C56 H40 Cd8 O30 P4 -","4","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin; Liu, Bo","0D, 2D and 3D metal phosphonates assembled from a new 2′-carboxybiphenyl-4-ylmethylphosphonic acid: Syntheses, topological structures and photoluminescent properties","CrystEngComm","2012","14","6","2268","","10.1039/c2ce06479k","","","0.71073","MoKα","","0.0524","0.0376","","","0.0777","0.0881","","","","","","1.022","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207471","11.2243","0.0017","12.7247","0.0008","13.065","0.002","95.695","0.009","102.674","0.013","94.36","0.009","1802.4","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H32 Cd N4 O7.5 P -","- C38 H27 Cd N4 O7.519 P -","- C76 H54 Cd2 N8 O15.038 P2 -","2","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin; Liu, Bo","0D, 2D and 3D metal phosphonates assembled from a new 2′-carboxybiphenyl-4-ylmethylphosphonic acid: Syntheses, topological structures and photoluminescent properties","CrystEngComm","2012","14","6","2268","","10.1039/c2ce06479k","","","0.71073","MoKα","","0.0716","0.0497","","","0.107","0.1209","","","","","","1.024","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207472","11.202","0.01","12.897","0.011","28.51","0.02","90","","90","","90","","4119","6","293","2","293","2","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C50 H80 Cu4 N14 O24 -","- C50 H80 Cu4 N14 O24 -","- C100 H160 Cu8 N28 O48 -","2","0.25","","Lou, Benyong; Wei, Yongqin; Lin, Qi","The dipeptide-based chiral binuclear complex capturing 4,4′-bipyridine to form a 3D supramolecular framework with a 1D channel","CrystEngComm","2012","14","6","2040","","10.1039/c2ce06486c","","","0.71073","MoKα","","0.091","0.0658","","","0.1647","0.1838","","","","","","1.026","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207473","7.261","","10.749","","11.075","","68.967","0.007","77.087","0.008","76.293","0.008","774.63","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H44 Cu2 N6 O16 -","- C20 H44 Cu2 N6 O16 -","- C20 H44 Cu2 N6 O16 -","1","0.5","","Lou, Benyong; Wei, Yongqin; Lin, Qi","The dipeptide-based chiral binuclear complex capturing 4,4′-bipyridine to form a 3D supramolecular framework with a 1D channel","CrystEngComm","2012","14","6","2040","","10.1039/c2ce06486c","","","0.71073","MoKα","","0.0406","0.0372","","","0.1025","0.1057","","","","","","1.094","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207474","8.007","0.0018","8.389","0.002","10.586","0.003","78.572","0.007","70.445","0.007","89.192","0.007","655.7","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","(1,4-diammoniumbutane)tetrabromoplumbate(II)","","- C4 H14 Br4 N2 Pb -","- C4 H14 Br4 N2 Pb -","- C8 H28 Br8 N4 Pb2 -","2","1","","Lemmerer, Andreas; Billing, David G.","Lead halide inorganic‒organic hybrids incorporating diammonium cations","CrystEngComm","2012","14","6","1954","","10.1039/c2ce06498g","","","0.71073","MoKα","","0.0432","0.0346","","","0.0889","0.0918","","","","","","1.121","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207475","21.119","0.004","8.5018","0.0014","8.8936","0.0015","90","","103.648","0.003","90","","1551.8","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(1,4-diammonium)tetraiodoplumbate(II)","","- C4 H14 I4 N2 Pb -","- C4 H14 I4 N2 Pb -","- C16 H56 I16 N8 Pb4 -","4","0.5","","Lemmerer, Andreas; Billing, David G.","Lead halide inorganic‒organic hybrids incorporating diammonium cations","CrystEngComm","2012","14","6","1954","","10.1039/c2ce06498g","","","0.71073","MoKα","","0.0452","0.0394","","","0.0976","0.1003","","","","","","1.01","","","","has coordinates,has disorder","180405","2020-10-21","18:00:00",""
"7207476","11.639","0.003","11.877","0.003","13.828","0.003","68.68","0.005","71.022","0.005","86.892","0.004","1679.5","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","tetrakis(1,7-diammoniumheptane)dodecaiodotriplumbate(II) diiodide","","- C28 H80 I14 N8 Pb3 -","- C28 H80 I14 N8 Pb3 -","- C28 H80 I14 N8 Pb3 -","1","0.5","","Lemmerer, Andreas; Billing, David G.","Lead halide inorganic‒organic hybrids incorporating diammonium cations","CrystEngComm","2012","14","6","1954","","10.1039/c2ce06498g","","","0.71073","MoKα","","0.0474","0.0368","","","0.0906","0.0943","","","","","","1.07","","","","has coordinates,has disorder","180405","2020-10-21","18:00:00",""
"7207477","13.815","0.003","8.3815","0.0015","9.0264","0.0016","90","","106.749","0.003","90","","1000.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(1,8-diammoniumoctane)tetraiodoplumbate(II)","","- C8 H22 I4 N2 Pb -","- C8 H22 I4 N2 Pb -","- C16 H44 I8 N4 Pb2 -","2","0.5","","Lemmerer, Andreas; Billing, David G.","Lead halide inorganic‒organic hybrids incorporating diammonium cations","CrystEngComm","2012","14","6","1954","","10.1039/c2ce06498g","","","0.71073","MoKα","","0.0616","0.0576","","","0.1372","0.1418","","","","","","1.102","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207478","14.651","0.006","7.926","0.003","8.455","0.003","90","","96.709","0.008","90","","975.1","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(1,10-diammoniumdecane)tetrabromoplumbate(II)","","- C10 H26 Br4 N2 Pb -","- C10 H26 Br4 N2 Pb -","- C20 H52 Br8 N4 Pb2 -","2","0.5","","Lemmerer, Andreas; Billing, David G.","Lead halide inorganic‒organic hybrids incorporating diammonium cations","CrystEngComm","2012","14","6","1954","","10.1039/c2ce06498g","","","0.71073","MoKα","","0.065","0.0588","","","0.1597","0.1667","","","","","","1.119","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207479","15.8186","0.0008","8.4304","0.0004","8.8539","0.0004","90","","90.231","0.003","90","","1180.72","0.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(1,12-diammoniumdodecane)tetraiodoplumbate(II)","","- C12 H30 I4 N2 Pb -","- C12 H30 I4 N2 Pb -","- C24 H60 I8 N4 Pb2 -","2","0.5","","Lemmerer, Andreas; Billing, David G.","Lead halide inorganic‒organic hybrids incorporating diammonium cations","CrystEngComm","2012","14","6","1954","","10.1039/c2ce06498g","","","0.71073","MoKα","","0.0692","0.0577","","","0.1684","0.1842","","","","","","1.286","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207480","11.163","0.003","8.96","0.002","8.737","0.002","90","","90.314","0.004","90","","873.9","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(1,5-diammoniumnaphthalene)tetraiodoplumbate(II)","","- C10 H12 I4 N2 Pb -","- C10 H12 I4 N2 Pb -","- C20 H24 I8 N4 Pb2 -","2","0.5","","Lemmerer, Andreas; Billing, David G.","Lead halide inorganic‒organic hybrids incorporating diammonium cations","CrystEngComm","2012","14","6","1954","","10.1039/c2ce06498g","","","0.71073","MoKα","","0.0343","0.0326","","","0.0745","0.0758","","","","","","1.18","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207481","8.9023","0.0008","27.727","0.002","14.71","0.0012","90","","102.226","0.006","90","","3548.6","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","tetrakis(1,2-diammoniumethane)nonabromodiplumbate(II) tribromide","","- C8 H40 Br12 N8 Pb2 -","- C8 H40 Br12 N8 Pb2 -","- C32 H160 Br48 N32 Pb8 -","4","1","","Lemmerer, Andreas; Billing, David G.","Lead halide inorganic‒organic hybrids incorporating diammonium cations","CrystEngComm","2012","14","6","1954","","10.1039/c2ce06498g","","","0.71073","MoKα","","0.0862","0.061","","","0.1529","0.1649","","","","","","1.06","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207482","25.333","0.008","42.923","0.014","4.5149","0.0015","90","","90","","90","","4909","3","173","2","173","2","","","","","","","","5","F d d 2","F 2 -2d","43","","(4,4-methylenedianilinium)hexaiododiplumbate(II)","","- C13 H16 I6 N2 Pb2 -","- C13 H16 I6 N2 Pb2 -","- C104 H128 I48 N16 Pb16 -","8","0.5","","Lemmerer, Andreas; Billing, David G.","Lead halide inorganic‒organic hybrids incorporating diammonium cations","CrystEngComm","2012","14","6","1954","","10.1039/c2ce06498g","","","0.71073","MoKα","","0.0315","0.0277","","","0.0625","0.0633","","","","","","1.033","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207483","6.7004","0.0007","8.2245","0.0008","15.4159","0.0015","90","","101","0.03","90","","833.92","0.17","190","0.2","190","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","chloroform cyclobutanone co-crystal","trichloromethane cyclobutanone clathrate (1:1)","","- C5 H7 Cl3 O -","- C5 H7 Cl3 O -","- C20 H28 Cl12 O4 -","4","1","","Yufit, D. S.; Howard, J. A. K.","Low melting molecular complexes. The structures of molecular complexes of tri- and di-chloromethanes with small ketones and 1,4-dioxane","CrystEngComm","2012","14","6","2003","","10.1039/c2ce06526f","","x-ray","0.71073","MOKα","K-L~3~","0.0417","0.0342","","","0.0955","0.1041","","","","","","1.075","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207484","10.3053","0.0012","20.118","0.002","5.5119","0.0004","90","","90","","90","","1142.74","0.19","180","0.2","180","0.2","","","","","","","","4","P n m a","-P 2ac 2n","62","dichloromethane cyclobutanone co-crystal","dichloromethane cyclobutanone clathrate (1:2)","","- C9 H14 Cl2 O2 -","- C9 H14 Cl2 O2 -","- C36 H56 Cl8 O8 -","4","0.5","","Yufit, D. S.; Howard, J. A. K.","Low melting molecular complexes. The structures of molecular complexes of tri- and di-chloromethanes with small ketones and 1,4-dioxane","CrystEngComm","2012","14","6","2003","","10.1039/c2ce06526f","","","0.71073","MoKα","","0.0555","0.0325","","","0.073","0.0792","","","","","","1.072","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207485","6.2893","0.0006","7.8029","0.0009","10.3006","0.0013","103.76","0.01","103.15","0.01","98.4","0.01","467.28","0.1","180","0.2","180","0.2","","","","","","","","4","P -1","-P 1","2","dichloromethane cyclohexanone co-crystal","dichloromethane cyclohexanone clathrate (1:1)","","- C7 H12 Cl2 O -","- C7 H12 Cl2 O -","- C14 H24 Cl4 O2 -","2","1","","Yufit, D. S.; Howard, J. A. K.","Low melting molecular complexes. The structures of molecular complexes of tri- and di-chloromethanes with small ketones and 1,4-dioxane","CrystEngComm","2012","14","6","2003","","10.1039/c2ce06526f","","x-ray","0.71073","MoKα","K-L~3~","0.0453","0.0339","","","0.0912","0.0977","","","","","","1.048","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207486","6.054","0.002","6.965","0.003","16.346","0.006","90","","95.86","0.03","90","","685.6","0.5","165","0.2","165","0.2","","","","","","","","4","P 1 n 1","P -2yac","7","chloroform methylethylketone co-crystal","trichloromethane butanone-2 clathrate (2:1)","","- C6 H10 Cl6 O -","- C6 H10 Cl6 O -","- C12 H20 Cl12 O2 -","2","1","","Yufit, D. S.; Howard, J. A. K.","Low melting molecular complexes. The structures of molecular complexes of tri- and di-chloromethanes with small ketones and 1,4-dioxane","CrystEngComm","2012","14","6","2003","","10.1039/c2ce06526f","","x-ray","0.71073","MOKα","K-L~3~","0.1068","0.0497","","","0.1044","0.1205","","","","","","0.957","","","","has coordinates,has disorder","180405","2020-10-21","18:00:00",""
"7207487","8.5922","0.0011","12.7617","0.0018","7.6903","0.0009","90","","102.77","0.02","90","","822.4","0.2","160","0.2","160","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","dichloromethane methylethylketone co-crystal","dichloromethane butanone-2 clathrate (1:1)","","- C5 H10 Cl2 O -","- C5 H10 Cl2 O -","- C20 H40 Cl8 O4 -","4","1","","Yufit, D. S.; Howard, J. A. K.","Low melting molecular complexes. The structures of molecular complexes of tri- and di-chloromethanes with small ketones and 1,4-dioxane","CrystEngComm","2012","14","6","2003","","10.1039/c2ce06526f","","x-ray","0.71073","MOKα","K-L~3~","0.0531","0.0303","","","0.0648","0.0696","","","","","","1.004","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207488","5.8895","0.0004","13.6031","0.001","10.0396","0.0008","90","","90.99","0.02","90","","804.21","0.1","150","0.2","150","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Chloroform aceton co-crystal","trichloromethane propanone-2 clathrate (1:1)","","- C4 H7 Cl3 O -","- C4 H7 Cl3 O -","- C16 H28 Cl12 O4 -","4","1","","Yufit, D. S.; Howard, J. A. K.","Low melting molecular complexes. The structures of molecular complexes of tri- and di-chloromethanes with small ketones and 1,4-dioxane","CrystEngComm","2012","14","6","2003","","10.1039/c2ce06526f","","x-ray","0.71073","MoKα","K-L~3~","0.0359","0.0289","","","0.0736","0.0772","","","","","","1.061","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207489","14.5833","0.0012","8.2213","0.0007","13.924","0.001","90","","117.21","0.01","90","","1484.7","0.2","200","0.2","200","0.2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","dichloromethane acetone co-crystal","dichloromethane propanone-2 clathrate (1:1)","","- C4 H8 Cl2 O -","- C4 H8 Cl2 O -","- C32 H64 Cl16 O8 -","8","1","","Yufit, D. S.; Howard, J. A. K.","Low melting molecular complexes. The structures of molecular complexes of tri- and di-chloromethanes with small ketones and 1,4-dioxane","CrystEngComm","2012","14","6","2003","","10.1039/c2ce06526f","","x-ray","0.71073","MoKα","K-L~3~","0.055","0.0418","","","0.1275","0.1394","","","","","","1.047","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207490","5.9481","0.0005","9.3502","0.0008","12.1479","0.0011","90","","100.93","0.02","90","","663.36","0.11","200","0.2","200","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","chloroform dioxane co-crystal","trichloromethane 1,4-dioxane (2:1)","","- C3 H5 Cl3 O -","- C3 H5 Cl3 O -","- C12 H20 Cl12 O4 -","4","1","","Yufit, D. S.; Howard, J. A. K.","Low melting molecular complexes. The structures of molecular complexes of tri- and di-chloromethanes with small ketones and 1,4-dioxane","CrystEngComm","2012","14","6","2003","","10.1039/c2ce06526f","","x-ray","0.71073","MOKα","K-L~3~","0.0422","0.0364","","","0.0976","0.1043","","","","","","1.066","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207491","7.8287","0.0013","10.025","0.002","14.764","0.003","90","","90","","90","","1158.7","0.4","195","0.2","195","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","dichloromethane dioxane co-crystal","dichloromethane 1,4-dioxane clathrate (2:1)","","- C6 H12 Cl4 O2 -","- C6 H12 Cl4 O2 -","- C24 H48 Cl16 O8 -","4","0.5","","Yufit, D. S.; Howard, J. A. K.","Low melting molecular complexes. The structures of molecular complexes of tri- and di-chloromethanes with small ketones and 1,4-dioxane","CrystEngComm","2012","14","6","2003","","10.1039/c2ce06526f","","","0.71073","Mo-Kα","","0.0512","0.0326","","","0.0753","0.0848","","","","","","1.032","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207492","23.76","0.005","39.331","0.008","40.61","0.009","90","","90","","90","","37950","14","293","2","293","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C60 H50 In2 N2 O17 -","- C60 H32 In2 N2 O17 -","- C960 H512 In32 N32 O272 -","16","0.5","","Gu, Ja-Min; Kim, Sung-Jin; Kim, Youngmee; Huh, Seong","Structural isomerism of an anionic nanoporous In-MOF with interpenetrated diamond-like topology","CrystEngComm","2012","14","5","1819","","10.1039/c2ce06538j","","","0.71073","MoKα","","0.18","0.0602","","","0.1754","0.2017","","","","","","0.78","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207493","23.088","0.003","39.262","0.005","41.133","0.005","90","","90","","90","","37286","8","293","2","293","2","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C56 H32 In2 O16 -","- C56 H32 In2 O16 -","- C896 H512 In32 O256 -","16","0.5","","Gu, Ja-Min; Kim, Sung-Jin; Kim, Youngmee; Huh, Seong","Structural isomerism of an anionic nanoporous In-MOF with interpenetrated diamond-like topology","CrystEngComm","2012","14","5","1819","","10.1039/c2ce06538j","","","0.71073","MoKα","","0.1483","0.0686","","","0.1946","0.2091","","","","","","0.822","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207494","12.251","0.003","18.631","0.004","20.976","0.004","90","0.03","90","0.03","90","0.03","4787.7","1.8","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C32 H16 In N O8 -","- C32 H16 In N O8 -","- C128 H64 In4 N4 O32 -","4","0.5","","Gu, Ja-Min; Kim, Sung-Jin; Kim, Youngmee; Huh, Seong","Structural isomerism of an anionic nanoporous In-MOF with interpenetrated diamond-like topology","CrystEngComm","2012","14","5","1819","","10.1039/c2ce06538j","","","0.71073","MoKα","","0.0829","0.0754","","","0.2198","0.2276","","","","","","1.132","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207495","38.4167","0.0008","38.4167","0.0008","38.4167","0.0008","90","","90","","90","","56697","2","200","2","200","2","","","","","","","","9","F 2 3","F 2 2 3","196","","","","- C72 H89.33 Au4 Cl2 Co2 N4 O20.67 P4 S4 -","- C72 H84 Au4 Cl1.99933 Co2 N4 O20.6666 P4 S4 -","- C1728 H2016 Au96 Cl47.984 Co48 N96 O495.999 P96 S96 -","24","0.5","","Lee, Raeeun; Igashira-Kamiyama, Asako; Motoyoshi, Hiroki; Konno, Takumi","Aggregation of chiral hexanuclear complex-cations into cationic metallosupramolecules with concomitant aggregation of inorganic counter-anions into anionic clusters","CrystEngComm","2012","14","6","1936","","10.1039/c2ce06539h","","","0.71075","MoKα","","0.0664","0.0537","","","0.1341","0.1441","","","","","","0.976","","","","has coordinates,has disorder","180405","2020-10-21","18:00:00",""
"7207496","38.0216","0.0006","38.0216","0.0006","38.0216","0.0006","90","","90","","90","","54965.6","1.5","200","2","200","2","","","","","","","","9","F 2 3","F 2 2 3","196","","","","- C72 H106 Au4 Cl2 Co2 N4 O19 P4 S4 -","- C72 H84 Au4 Cl2 Co2 N4 O19 P4 S4 -","- C1728 H2016 Au96 Cl48 Co48 N96 O456 P96 S96 -","24","0.5","","Lee, Raeeun; Igashira-Kamiyama, Asako; Motoyoshi, Hiroki; Konno, Takumi","Aggregation of chiral hexanuclear complex-cations into cationic metallosupramolecules with concomitant aggregation of inorganic counter-anions into anionic clusters","CrystEngComm","2012","14","6","1936","","10.1039/c2ce06539h","","","0.71075","MoKα","","0.0536","0.0468","","","0.1338","0.1392","","","","","","0.991","","","","has coordinates,has disorder","180405","2020-10-21","18:00:00",""
"7207497","36.087","0.003","13.2881","0.001","19.2349","0.0014","90","","107.849","0.001","90","","8779.7","1.2","173","2","173","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C44 H66 Cd23 Cl2 N176 O11 -","- C44 H42 Cd23 Cl2 N176 O11 -","- C88 H84 Cd46 Cl4 N352 O22 -","2","0.25","","Zhong, Di-Chang; Deng, Ji-Hua; Luo, Xu-Zhong; Lu, Tong-Bu; Wang, Ke-Jun","An unprecedented (4,10)-connected porous metal‒organic framework containing two rare large secondary building units (SBUs)","CrystEngComm","2012","14","5","1538","","10.1039/c2ce06555j","","","0.71073","MoKα","","0.0721","0.0466","","","0.1292","0.1428","","","","","","1.094","","","","has coordinates,has disorder","180405","2020-10-21","18:00:00",""
"7207510","30.073","0.006","6.7129","0.0014","16.722","0.003","90","","104.76","0.03","90","","3264.4","1.2","100","2","100","2","","","","","","","Sigma Aldrich","5","C 1 2/c 1","-C 2yc","15","Ofloxcacin","","","- C18 H20 F N3 O4 -","- C18 H20 F N3 O4 -","- C144 H160 F8 N24 O32 -","8","1","","Holstein, Julian Jacob; Hübschle, Christian Bertram; Dittrich, Birger","Electrostatic properties of nine fluoroquinolone antibiotics derived directly from their crystal structure refinements","CrystEngComm","2012","14","7","2520","","10.1039/c1ce05966a","","","0.5608","AgKα","","0.0701","0.0346","","","","0.0344","","","","","","2.7286","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207511","8.2477","0.0006","21.6745","0.0017","9.5199","0.0007","90","","110.692","0.001","90","","1592","0.2","100","2","100","2","","","","","","","Sigma Aldrich","5","P 1 21/c 1","-P 2ybc","14","Norfloxacin","","","- C16 H22 F N3 O5 -","- C16 H22 F N3 O5 -","- C64 H88 F4 N12 O20 -","4","1","","Holstein, Julian Jacob; Hübschle, Christian Bertram; Dittrich, Birger","Electrostatic properties of nine fluoroquinolone antibiotics derived directly from their crystal structure refinements","CrystEngComm","2012","14","7","2520","","10.1039/c1ce05966a","","","0.71073","MoKα","","0.0835","0.0311","","","","0.0261","","","","","","2.1753","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207512","4.26","0.0006","9.7217","0.0012","17.862","0.003","78.225","0.008","87.712","0.009","79.626","0.007","712.34","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Norfloxacin","","","- C16 H18 F N3 O3 -","- C16 H18 F N3 O3 -","- C32 H36 F2 N6 O6 -","2","1","","Holstein, Julian Jacob; Hübschle, Christian Bertram; Dittrich, Birger","Electrostatic properties of nine fluoroquinolone antibiotics derived directly from their crystal structure refinements","CrystEngComm","2012","14","7","2520","","10.1039/c1ce05966a","","","1.54178","CuKα","","0.1326","0.1155","","","","0.1918","","","","","","1.5936","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207513","8.4124","0.0006","22.0645","0.0015","17.1587","0.0012","90","","100.896","0.001","90","","3127.5","0.4","100","2","100","","","","","","","","Sigma Aldrich","5","P 1 21/c 1","-P 2ybc","14","Enoxacin","","","- C15 H20.44 F N4 O4.72 -","- C15 H20.4366 F N4 O4.7183 -","- C120 H163.493 F8 N32 O37.7464 -","8","2","","Holstein, Julian Jacob; Hübschle, Christian Bertram; Dittrich, Birger","Electrostatic properties of nine fluoroquinolone antibiotics derived directly from their crystal structure refinements","CrystEngComm","2012","14","7","2520","","10.1039/c1ce05966a","","","0.71073","MoKα","","0.0778","0.0273","","","","0.0172","","","","","","2.7767","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207514","5.2","0.001","39.96","0.008","9.38","0.0019","90","","90.55","0.03","90","","1949","0.7","100","2","100","2","","","","","","","Sigma Aldrich","6","P 1 21/c 1","-P 2ybc","14","Lomefloxacin","","","- C17 H24 Cl0.95 F2 N3 O5 -","- C17 H24 Cl0.9538 F2 N3 O5 -","- C68 H96 Cl3.8152 F8 N12 O20 -","4","1","","Holstein, Julian Jacob; Hübschle, Christian Bertram; Dittrich, Birger","Electrostatic properties of nine fluoroquinolone antibiotics derived directly from their crystal structure refinements","CrystEngComm","2012","14","7","2520","","10.1039/c1ce05966a","","","0.8","synchrotron","","0.0737","0.0703","","","","0.1056","","","","","","3.908","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207515","5.9241","0.0001","9.4808","0.0002","18.5568","0.0004","90","","91.192","0.002","90","","1042.02","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","doxycycline monohydrate","6-Deoxy-5-oxytetracycline monohydrate","","- C22 H26 N2 O9 -","- C22 H26 N2 O9 -","- C44 H52 N4 O18 -","2","1","","Legendre, Alexandre O.; Silva, Laila R. R.; Silva, Douglas M.; Rosa, Iara M. L.; Azarias, Lilian C.; de Abreu, Polyana J.; de Araújo, Magali B.; Neves, Person P.; Torres, Claudia; Martins, Felipe T.; Doriguetto, Antonio C.","Solid state chemistry of the antibiotic doxycycline: structure of the neutral monohydrate and insights into its poor water solubility","CrystEngComm","2012","14","7","2532","","10.1039/c1ce06181j","","","0.71073","MoKα","","0.0413","0.0369","","","0.0918","0.0945","","","","","","1.051","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207516","6.2761","0.0006","22.345","0.002","6.8833","0.0007","90","","97.257","0.001","90","","957.58","0.16","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Acetaminophen hydrochloride hydrate","","","- C8 H12 Cl N O3 -","- C8 H12 Cl N O3 -","- C32 H48 Cl4 N4 O12 -","4","1","","Perumalla, Sathyanarayana Reddy; Shi, Limin; Sun, Changquan Calvin","Ionized form of acetaminophen with improved compaction properties","CrystEngComm","2012","14","7","2389","","10.1039/c1ce06278f","","","0.71073","MoKα","","0.0306","0.0272","","","0.0734","0.076","","","","","","1.06","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207517","6.4919","0.0006","6.1159","0.0006","16.87","0.0016","90","","90.032","0.001","90","","669.8","0.11","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-hydroxybenzenaminium chloride","","","- C6 H8 Cl N O -","- C6 H8 Cl N O -","- C24 H32 Cl4 N4 O4 -","4","1","","Perumalla, Sathyanarayana Reddy; Shi, Limin; Sun, Changquan Calvin","Ionized form of acetaminophen with improved compaction properties","CrystEngComm","2012","14","7","2389","","10.1039/c1ce06278f","","","0.71073","MoKα","","0.0228","0.0226","","","0.0658","0.066","","","","","","1.097","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207518","7.6205","0.0005","7.9261","0.0005","8.0664","0.0007","85.402","0.007","81.432","0.006","70.018","0.006","452.55","0.06","120","2","120","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C10 H24 Mn2 O14 -","- C10 H24 Mn2 O14 -","- C10 H24 Mn2 O14 -","1","0.5","","Saines, Paul J.; Barton, Phillip T.; Jain, Prashant; Cheetham, Anthony K.","Structures and magnetic properties of Mn and Co inorganic‒organic frameworks with mixed linear dicarboxylate ligands","CrystEngComm","2012","14","8","2711","","10.1039/c2ce05947a","","x-ray","0.71073","MoKα","","0.0279","0.0265","","","0.0672","0.0687","","","","","","1.07","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207519","9.0862","0.0005","10.7299","0.0005","19.5496","0.0007","89.452","0.003","87.337","0.004","80.347","0.004","1876.95","0.15","120","2","120","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C22 H44 Co6 O31 -","- C22 H44 Co6 O31 -","- C44 H88 Co12 O62 -","2","1","","Saines, Paul J.; Barton, Phillip T.; Jain, Prashant; Cheetham, Anthony K.","Structures and magnetic properties of Mn and Co inorganic‒organic frameworks with mixed linear dicarboxylate ligands","CrystEngComm","2012","14","8","2711","","10.1039/c2ce05947a","","","0.71073","MoKα","","0.073","0.0386","","","0.0699","0.0865","","","","","","1.008","","","","has coordinates,has disorder","180406","2020-10-21","18:00:00",""
"7207520","16.1859","0.0007","4.8014","0.0002","9.2596","0.0004","90","","90.191","0.004","90","","719.61","0.05","295","2","295","2","","","","","","","synthesis as described","4","P 1 2/c 1","-P 2yc","13","","","","- C6 H8 Co O4 -","- C6 H8 Co O4 -","- C24 H32 Co4 O16 -","4","1","","Saines, Paul J.; Barton, Phillip T.; Jain, Prashant; Cheetham, Anthony K.","Structures and magnetic properties of Mn and Co inorganic‒organic frameworks with mixed linear dicarboxylate ligands","CrystEngComm","2012","14","8","2711","","10.1039/c2ce05947a","","x-ray","0.71073","MoKα","","0.0939","0.083","","","0.2275","0.2361","","","","","","1.185","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207521","7.8814","0.0004","16.4329","0.0013","18.0521","0.0013","90","","90.406","0.004","90","","2337.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H68 Cu2 N10 O12 -","- C42 H60 Cu2 N10 O12 -","- C84 H120 Cu4 N20 O24 -","2","0.5","","Park, Hye Jeong; Suh, Myunghyun Paik","Guest-dependent host structures and host-induced guest assemblies","CrystEngComm","2012","14","8","2748","","10.1039/c2ce06040j","","","0.71073","MoKα","","0.1067","0.0639","","","0.1664","0.2061","","","","","","1.06","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207522","11.0014","0.0004","16.1868","0.0006","17.8272","0.0007","90","","106.526","0.002","90","","3043.5","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H80 Cu2 N10 O16 -","- C54 H72 Cu2 N10 O16 -","- C108 H144 Cu4 N20 O32 -","2","0.5","","Park, Hye Jeong; Suh, Myunghyun Paik","Guest-dependent host structures and host-induced guest assemblies","CrystEngComm","2012","14","8","2748","","10.1039/c2ce06040j","","","0.71073","MoKα","","0.2395","0.0884","","","0.223","0.3108","","","","","","1.099","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207523","10.4604","0.0005","11.964","0.0007","16.1087","0.0008","78.673","0.003","72.493","0.003","64.513","0.003","1730.24","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H92 Cu2 N10 O16 -","- C66 H84 Cu2 N10 O16 -","- C66 H84 Cu2 N10 O16 -","1","0.5","","Park, Hye Jeong; Suh, Myunghyun Paik","Guest-dependent host structures and host-induced guest assemblies","CrystEngComm","2012","14","8","2748","","10.1039/c2ce06040j","","","0.71073","MoKα","","0.1203","0.0616","","","0.1748","0.2233","","","","","","1.101","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207524","16.5171","0.0003","11.386","0.0003","17.9517","0.0005","90","","106.933","0.001","90","","3229.7","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H92 Cu2 N10 O24 -","- C54 H72 Cu2 N10 O24 -","- C108 H144 Cu4 N20 O48 -","2","0.5","","Park, Hye Jeong; Suh, Myunghyun Paik","Guest-dependent host structures and host-induced guest assemblies","CrystEngComm","2012","14","8","2748","","10.1039/c2ce06040j","","","0.71073","MoKα","","0.1473","0.0878","","0.3174","0.2482","0.2434","","","1.086","1.177","1.177","1.075","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207525","6.4897","0.0014","19.302","0.005","12.454","0.002","90","","99.848","0.019","90","","1537.1","0.6","293","2","293","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C44 H30 -","- C44 H30 -","- C88 H60 -","2","0.5","","Li, Ye-Xin; Jia, Jiong; Tao, Xu-Tang","Intramolecular H⋯H steric hindrance modulated aggregate packing and optoelectronic properties in 1-naphthyl, 9-anthryl end-capped styrylarylene derivatives","CrystEngComm","2012","14","8","2843","","10.1039/c2ce06190b","","","0.71073","MoKα","","0.2226","0.0748","","","0.1478","0.1887","","","","","","0.968","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207526","7.3324","0.0007","7.3383","0.0007","37.984","0.003","89.627","0.007","89.836","0.007","85.628","0.007","2037.8","0.3","293","2","293","","","","","","","","","2","P -1","-P 1","2","","","","- C30 H22 -","- C30 H22 -","- C120 H88 -","4","2","","Li, Ye-Xin; Jia, Jiong; Tao, Xu-Tang","Intramolecular H⋯H steric hindrance modulated aggregate packing and optoelectronic properties in 1-naphthyl, 9-anthryl end-capped styrylarylene derivatives","CrystEngComm","2012","14","8","2843","","10.1039/c2ce06190b","","","1.5418","CuKα","","0.1443","0.0995","","","0.2777","0.361","","","","","","1.081","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207527","18.9657","0.0019","10.8842","0.0011","11.7477","0.0012","90","","125.406","0.012","90","","1976.6","0.5","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[diaquabis(μ~2~-3-cyano-4-dicyanomethylene-5-oxo- 4,5-dihydro-1H-pyrrol-2-olato-κ^2^N^3^:N^3'^)copper(II)] dihydrate]","","- C16 H10 Cu N8 O8 -","- C16 H10 Cu N8 O8 -","- C64 H40 Cu4 N32 O32 -","4","0.5","","Gurskiy, Stanislav I.; Tafeenko, Viktor A.","The luminescent properties of structures built from 3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1H-pyrrole-2-olate and copper(I,II) cations","CrystEngComm","2012","14","8","2721","","10.1039/c2ce06238k","","","1.54184","CuKα","","0.0408","0.0372","","","0.1026","0.1054","","","","","","1.114","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207528","6.9985","0.0009","8.0047","0.0011","9.5314","0.0014","88.986","0.011","68.71","0.013","84.342","0.013","495","0.13","291","2","293","2","","","","","","","","5","P -1","-P 1","2","","tetraaquabis(3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1H-pyrrol-2- olato)copper(II)","","- C16 H10 Cu N8 O8 -","- C16 H10 Cu N8 O8 -","- C16 H10 Cu N8 O8 -","1","0.5","","Gurskiy, Stanislav I.; Tafeenko, Viktor A.","The luminescent properties of structures built from 3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1H-pyrrole-2-olate and copper(I,II) cations","CrystEngComm","2012","14","8","2721","","10.1039/c2ce06238k","","","0.71073","MoKα","","0.0755","0.0492","","","0.1044","0.1157","","","","","","1.041","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207529","5.4","0.002","8.849","0.003","11.531","0.005","88.24","0.02","77.28","0.02","82.33","0.03","532.7","0.4","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","tetraaquabis(3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1H-pyrrol-2- olato)copper(II) half-hydrate","","- C16 H10 Cu N8 O9 -","- C16 H10 Cu N8 O9 -","- C16 H10 Cu N8 O9 -","1","0.5","","Gurskiy, Stanislav I.; Tafeenko, Viktor A.","The luminescent properties of structures built from 3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1H-pyrrole-2-olate and copper(I,II) cations","CrystEngComm","2012","14","8","2721","","10.1039/c2ce06238k","","","1.54184","CuKα","","0.0523","0.0494","","","0.1401","0.143","","","","","","1.091","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207530","6.753","0.001","11.707","0.002","14.382","0.002","103.56","0.01","97.73","0.01","101.01","0.01","1065.6","0.3","290","2","290","2","","","","","","","","5","P -1","-P 1","2","","tetraaquabis(3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1H-pyrrol-2- olato)copper(II) hydrate","","- C16 H12 Cu N8 O9 -","- C16 H12 Cu N8 O9 -","- C32 H24 Cu2 N16 O18 -","2","1","","Gurskiy, Stanislav I.; Tafeenko, Viktor A.","The luminescent properties of structures built from 3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1H-pyrrole-2-olate and copper(I,II) cations","CrystEngComm","2012","14","8","2721","","10.1039/c2ce06238k","","","1.54184","CuKα","","0.0922","0.0571","","","0.1331","0.1533","","","","","","1.029","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207531","5.3101","0.0007","15.741","0.001","8.506","0.0001","90","","105.2","0.01","90","","686.11","0.11","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","diacetonitrile(3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1H-pyrrol-2- olato)copper(I)","","- C12 H7 Cu N6 O2 -","- C12 H7 Cu N6 O2 -","- C24 H14 Cu2 N12 O4 -","2","1","","Gurskiy, Stanislav I.; Tafeenko, Viktor A.","The luminescent properties of structures built from 3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1H-pyrrole-2-olate and copper(I,II) cations","CrystEngComm","2012","14","8","2721","","10.1039/c2ce06238k","","","1.54184","CuKα","","0.0338","0.0305","","","0.0836","0.0854","","","","","","1.066","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207532","7.378","0.002","8.246","0.003","9.217","0.002","84.82","0.02","74.28","0.02","88.3","0.02","537.6","0.3","295","2","293","2","","","","","","","","5","P -1","-P 1","2","","acetonitrile(3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1H-pyrrol-2- olato)copper(I)","","- C10 H4 Cu N5 O2 -","- C10 H4 Cu N5 O2 -","- C20 H8 Cu2 N10 O4 -","2","1","","Gurskiy, Stanislav I.; Tafeenko, Viktor A.","The luminescent properties of structures built from 3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1H-pyrrole-2-olate and copper(I,II) cations","CrystEngComm","2012","14","8","2721","","10.1039/c2ce06238k","","","0.71073","MoKα","","0.054","0.0311","","","0.0792","0.0864","","","","","","1.027","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207533","5.8384","0.0002","9.1212","0.0003","22.1209","0.0007","90","","94.571","0.002","90","","1174.26","0.07","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 N2 O5 -","- C11 H12 N2 O5 -","- C44 H48 N8 O20 -","4","1","","Moragues-Bartolome, Alaina M.; Jones, William; Cruz-Cabeza, Aurora J.","Synthon preferences in cocrystals of cis-carboxamides:carboxylic acids","CrystEngComm","2012","14","7","2552","","10.1039/c2ce06241k","","","0.71073","MoKα","","0.0868","0.0544","","","0.1335","0.1532","","","","","","1.032","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207534","11.4528","0.0005","6.3801","0.0003","17.643","0.001","90","","90.489","0.002","90","","1289.13","0.11","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 N3 O7 -","- C11 H11 N3 O7 -","- C44 H44 N12 O28 -","4","1","","Moragues-Bartolome, Alaina M.; Jones, William; Cruz-Cabeza, Aurora J.","Synthon preferences in cocrystals of cis-carboxamides:carboxylic acids","CrystEngComm","2012","14","7","2552","","10.1039/c2ce06241k","","","0.71073","MoKα","","0.0496","0.0384","","","0.0934","0.1007","","","","","","1.071","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207535","10.8821","0.0004","7.6597","0.0003","16.4743","0.0006","90","","103.612","0.003","90","","1334.62","0.09","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H14 F3 N O3 -","- C13 H14 F3 N O3 -","- C52 H56 F12 N4 O12 -","4","1","","Moragues-Bartolome, Alaina M.; Jones, William; Cruz-Cabeza, Aurora J.","Synthon preferences in cocrystals of cis-carboxamides:carboxylic acids","CrystEngComm","2012","14","7","2552","","10.1039/c2ce06241k","","","0.71073","MoKα","","0.0581","0.0399","","","0.1076","0.1171","","","","","","1.066","","","","has coordinates,has disorder","180406","2020-10-21","18:00:00",""
"7207536","6.6109","0.0001","6.9719","0.0002","13.9678","0.0003","93.855","0.001","97.257","0.001","101.429","0.001","623.14","0.02","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H14 N2 O5 -","- C12 H14 N2 O5 -","- C24 H28 N4 O10 -","2","1","","Moragues-Bartolome, Alaina M.; Jones, William; Cruz-Cabeza, Aurora J.","Synthon preferences in cocrystals of cis-carboxamides:carboxylic acids","CrystEngComm","2012","14","7","2552","","10.1039/c2ce06241k","","","0.71073","MoKα","","0.0563","0.046","","","0.1197","0.1275","","","","","","1.061","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207537","7.4022","0.0001","13.3198","0.0003","15.1641","0.0003","109.418","0.001","93.784","0.001","104.67","0.001","1345.5","0.05","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H13 N3 O7 -","- C12 H13 N3 O7 -","- C48 H52 N12 O28 -","4","2","","Moragues-Bartolome, Alaina M.; Jones, William; Cruz-Cabeza, Aurora J.","Synthon preferences in cocrystals of cis-carboxamides:carboxylic acids","CrystEngComm","2012","14","7","2552","","10.1039/c2ce06241k","","","0.71073","MoKα","","0.0804","0.0586","","","0.144","0.1599","","","","","","1.052","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207538","6.5358","0.0002","7.6095","0.0003","11.8452","0.0004","79.803","0.002","78.578","0.002","75.337","0.002","553.61","0.03","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H11 N O6 -","- C11 H11 N O6 -","- C22 H22 N2 O12 -","2","1","","Moragues-Bartolome, Alaina M.; Jones, William; Cruz-Cabeza, Aurora J.","Synthon preferences in cocrystals of cis-carboxamides:carboxylic acids","CrystEngComm","2012","14","7","2552","","10.1039/c2ce06241k","","","0.71073","MoKα","","0.0933","0.0551","","","0.1244","0.1445","","","","","","1.027","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207539","20.264","0.002","15.8241","0.0016","16.1914","0.0016","90","","113.573","0.003","90","","4758.7","0.8","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C18 H20.5 N7 O7.25 Zn -","- C18 H15 N6 O2 Zn -","- C144 H120 N48 O16 Zn8 -","8","1","","Wang, Nan; Feng, Yue-Chao; Shi, Wei; Zhao, Bin; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Synthesis, structure, fluorescent and magnetic properties of a series of coordination polymers based on a long and flexible bis-triazole ligand","CrystEngComm","2012","14","8","2769","","10.1039/c2ce06290a","","","0.71075","MoKα","","0.1165","0.0674","","","0.1466","0.167","","","","","","1.018","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207540","31.7755","0.0007","31.7755","0.0007","16.0824","0.0005","90","","90","","90","","16238.1","0.7","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C51 H68 Co3 N24 O31 -","- C51 H42 Co3 N24 O31 -","- C408 H336 Co24 N192 O248 -","8","0.5","","Wang, Nan; Feng, Yue-Chao; Shi, Wei; Zhao, Bin; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Synthesis, structure, fluorescent and magnetic properties of a series of coordination polymers based on a long and flexible bis-triazole ligand","CrystEngComm","2012","14","8","2769","","10.1039/c2ce06290a","","","0.71073","MoKα","","0.1186","0.0736","","","0.2197","0.237","","","","","","1.011","","","","has coordinates,has disorder","180406","2020-10-21","18:00:00",""
"7207541","35.5716","0.0007","34.6846","0.0007","37.7791","0.0008","90","","90","","90","","46611.4","1.6","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C204 H180 Cl14 Cu8 N72 O63 -","- C204 H170 Cl14 Cu8 N72 O63 -","- C1632 H1360 Cl112 Cu64 N576 O504 -","8","0.5","","Wang, Nan; Feng, Yue-Chao; Shi, Wei; Zhao, Bin; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Synthesis, structure, fluorescent and magnetic properties of a series of coordination polymers based on a long and flexible bis-triazole ligand","CrystEngComm","2012","14","8","2769","","10.1039/c2ce06290a","","","0.71073","MoKα","","0.1039","0.0772","","","0.2109","0.2266","","","","","","1.034","","","","has coordinates,has disorder","180406","2020-10-21","18:00:00",""
"7207542","8.3699","0.0014","16.482","0.003","17.686","0.003","90","","90","","90","","2439.8","0.7","293","2","293","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C18 H20 Cd N7 O6 -","- C18 H15 Cd N6 O2 -","- C72 H60 Cd4 N24 O8 -","4","0.25","","Wang, Nan; Feng, Yue-Chao; Shi, Wei; Zhao, Bin; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Synthesis, structure, fluorescent and magnetic properties of a series of coordination polymers based on a long and flexible bis-triazole ligand","CrystEngComm","2012","14","8","2769","","10.1039/c2ce06290a","","","0.71075","MoKα","","0.0551","0.0427","","","0.0953","0.1025","","","","","","1.008","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207543","16.2938","0.0004","19.3536","0.0004","38.9277","0.0009","90","","90","","90","","12275.6","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C51 H57 Cd2 N22 O19.5 -","- C51 H58.5 Cd2 N22 O19.5 -","- C408 H468 Cd16 N176 O156 -","8","1","","Wang, Nan; Feng, Yue-Chao; Shi, Wei; Zhao, Bin; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Synthesis, structure, fluorescent and magnetic properties of a series of coordination polymers based on a long and flexible bis-triazole ligand","CrystEngComm","2012","14","8","2769","","10.1039/c2ce06290a","","","0.71073","MoKα","","0.1122","0.0985","","","0.2269","0.2321","","","","","","1.1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207544","19.756","0.003","16.208","0.002","19.19","0.003","90","","98.206","0.004","90","","6081.8","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H52 N22 O17 Zn2 -","- C51 H42 N22 O17 Zn2 -","- C204 H168 N88 O68 Zn8 -","4","1","","Wang, Nan; Feng, Yue-Chao; Shi, Wei; Zhao, Bin; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Synthesis, structure, fluorescent and magnetic properties of a series of coordination polymers based on a long and flexible bis-triazole ligand","CrystEngComm","2012","14","8","2769","","10.1039/c2ce06290a","","","0.71075","MoKα","","0.1318","0.0975","","","0.2572","0.2825","","","","","","1.048","","","","has coordinates,has disorder","180406","2020-10-21","18:00:00",""
"7207545","12.581","0.008","13.474","0.009","17.579","0.017","107.462","0.015","95.017","0.016","115.509","0.01","2483","3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H98 As2 Cu9 N18 O81 W18 -","- C18 H72 As2 Cu9 N18 O81 W18 -","- C18 H72 As2 Cu9 N18 O81 W18 -","1","0.5","","Zhao, Junwei; Shi, Dongying; Chen, Lijuan; Cai, Xiaomeng; Wang, Zhiqiao; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Two organic‒inorganic hybrid 1-D and 3-D polyoxotungstates constructed from hexa-CuII substituted sandwich-type arsenotungstate units","CrystEngComm","2012","14","8","2797","","10.1039/c2ce06298d","","","0.71073","MoKα","","0.1071","0.0734","","","0.1816","0.198","","","","","","1.041","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207546","13.502","0.002","31.969","0.005","12.229","0.002","90","","113.405","0.003","90","","4844.3","1.3","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H92 As2 Cu9 N16 O74 W18 -","- C24 H80 As2 Cu9 N16 O74 W18 -","- C48 H160 As4 Cu18 N32 O148 W36 -","2","0.5","","Zhao, Junwei; Shi, Dongying; Chen, Lijuan; Cai, Xiaomeng; Wang, Zhiqiao; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Two organic‒inorganic hybrid 1-D and 3-D polyoxotungstates constructed from hexa-CuII substituted sandwich-type arsenotungstate units","CrystEngComm","2012","14","8","2797","","10.1039/c2ce06298d","","","0.71073","MoKα","","0.0565","0.0432","","","0.1022","0.1091","","","","","","1.037","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207547","5.706","0.0002","11.967","0.0005","8.3401","0.0004","90","","104.273","0.002","90","","551.91","0.04","298","2","298","2","","","","","","","Polymorph Screening","6","P 1 21 1","P 2yb","4","4-amino-1-((2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl) - (1H)-pyrimidin-2-one hydrochloride","4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl] -(1H)-pyrimidin-2-one hydrochloride","","- C8 H12 Cl N3 O3 S -","- C8 H12 Cl N3 O3 S -","- C16 H24 Cl2 N6 O6 S2 -","2","1","","Ellena, Javier; Paparidis, Nikolas; Martins, Felipe Terra","Toward supramolecular architectures of the anti-HIV drug lamivudine: understanding the effect of the inclusion of water in a hydrochloride form","CrystEngComm","2012","14","7","2373","","10.1039/c2ce06303d","","x-ray","0.71073","MoKα","","0.0438","0.0365","","","0.0896","0.0943","","","","","","1.03","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207548","5.2927","0.0002","17.2524","0.0012","6.8518","0.0004","90","","98.865","0.003","90","","618.18","0.06","298","1","298","1","","","","","","","Polymorph Screening","6","P 1 21 1","P 2yb","4","4-amino-1-((2R,5S)-2-(hydroxymethyl)-1, 3-oxathiolan-5-yl)- (1H)-pyrimidin-2-one hydrochloride monohydrate","4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1, 3-oxathiolan-5-yl]-(1H)-pyrimidin-2-one hydrochloride monohydrate","","- C8 H14 Cl N3 O4 S -","- C8 H14 Cl N3 O4 S -","- C16 H28 Cl2 N6 O8 S2 -","2","1","","Ellena, Javier; Paparidis, Nikolas; Martins, Felipe Terra","Toward supramolecular architectures of the anti-HIV drug lamivudine: understanding the effect of the inclusion of water in a hydrochloride form","CrystEngComm","2012","14","7","2373","","10.1039/c2ce06303d","","x-ray","0.71073","MoKα","","0.0528","0.0364","","","0.0754","0.0823","","","","","","1.039","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207549","5.652","0.0003","11.924","0.0006","8.322","0.0006","90","","104.76","0.003","90","","542.35","0.06","150","2","150","2","","","","","","","Polymorph Screening","6","P 1 21 1","P 2yb","4","4-amino-1-((2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl) - (1H)-pyrimidin-2-one hydrochloride","4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl] -(1H)-pyrimidin-2-one hydrochloride","","- C8 H12 Cl N3 O3 S -","- C8 H12 Cl N3 O3 S -","- C16 H24 Cl2 N6 O6 S2 -","2","1","","Ellena, Javier; Paparidis, Nikolas; Martins, Felipe Terra","Toward supramolecular architectures of the anti-HIV drug lamivudine: understanding the effect of the inclusion of water in a hydrochloride form","CrystEngComm","2012","14","7","2373","","10.1039/c2ce06303d","","x-ray","0.71073","MoKα","","0.0667","0.0497","","","0.114","0.1239","","","","","","0.994","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207550","5.2554","0.0001","17.1944","0.0006","6.821","0.0002","90","","98.774","0.002","90","","609.16","0.03","150","2","150","2","","","","","","","Polymorph Screening","6","P 1 21 1","P 2yb","4","4-amino-1-((2R,5S)-2-(hydroxymethyl)-1, 3-oxathiolan-5-yl)- (1H)-pyrimidin-2-one hydrochloride monohydrate","4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1, 3-oxathiolan-5-yl]-(1H)-pyrimidin-2-one hydrochloride monohydrate","","- C8 H14 Cl N3 O4 S -","- C8 H14 Cl N3 O4 S -","- C16 H28 Cl2 N6 O8 S2 -","2","1","","Ellena, Javier; Paparidis, Nikolas; Martins, Felipe Terra","Toward supramolecular architectures of the anti-HIV drug lamivudine: understanding the effect of the inclusion of water in a hydrochloride form","CrystEngComm","2012","14","7","2373","","10.1039/c2ce06303d","","x-ray","0.71073","MoKα","","0.0529","0.05","","","0.1137","0.1166","","","","","","1.058","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207551","9.5767","0.0012","12.7646","0.0017","13.9388","0.0018","90","","90.758","0.002","90","","1703.8","0.4","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","(Antipyrine)(4-Aminobenzoic acid)","Antipyrine 4-Aminobenzoic acid (1/1)","","- C18 H19 N3 O3 -","- C18 H19 N3 O3 -","- C72 H76 N12 O12 -","4","2","","Issa, Nizar; Barnett, Sarah A.; Mohamed, Sharmarke; Braun, Doris E.; Copley, Royston C. B.; Tocher, Derek A.; Price, Sarah L.","Screening for cocrystals of succinic acid and 4-aminobenzoic acid","CrystEngComm","2012","14","7","2454","","10.1039/c2ce06325e","","","0.71073","MoKα","","0.0731","0.0482","","","0.1071","0.1191","","","","","","1.016","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207552","15.557","0.002","17.056","0.003","19.782","0.003","80.658","0.005","78.559","0.007","77.168","0.006","4977.6","1.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","2(Phenazine)(4-Aminobenzoic acid)","Phenazine 4-Aminobenzoic acid (2/1)","","- C31 H23 N5 O2 -","- C31 H23 N5 O2 -","- C248 H184 N40 O16 -","8","4","","Issa, Nizar; Barnett, Sarah A.; Mohamed, Sharmarke; Braun, Doris E.; Copley, Royston C. B.; Tocher, Derek A.; Price, Sarah L.","Screening for cocrystals of succinic acid and 4-aminobenzoic acid","CrystEngComm","2012","14","7","2454","","10.1039/c2ce06325e","","","0.6889","Synchrotron","","0.0928","0.0709","","","0.1999","0.2304","","","","","","1.111","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207553","8.958","0.003","5.1788","0.0014","14.357","0.004","90","","106.109","0.004","90","","639.9","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(2,2'-Bipyridine)(Succinic acid)","2,2'-Bipyridine Succinic acid (1/1)","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C28 H28 N4 O8 -","2","0.5","","Issa, Nizar; Barnett, Sarah A.; Mohamed, Sharmarke; Braun, Doris E.; Copley, Royston C. B.; Tocher, Derek A.; Price, Sarah L.","Screening for cocrystals of succinic acid and 4-aminobenzoic acid","CrystEngComm","2012","14","7","2454","","10.1039/c2ce06325e","","","0.71073","MoKα","","0.0486","0.0391","","","0.0976","0.1017","","","","","","1.07","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207554","14.654","0.004","5.554","0.0014","16.288","0.004","90","","90.471","0.004","90","","1325.6","0.6","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2(Diphenylcyclopropenone)(Succinic Acid)","Diphenylcyclopropenone Succinic acid (2/1)","","- C17 H13 O3 -","- C17 H13 O3 -","- C68 H52 O12 -","4","1","","Issa, Nizar; Barnett, Sarah A.; Mohamed, Sharmarke; Braun, Doris E.; Copley, Royston C. B.; Tocher, Derek A.; Price, Sarah L.","Screening for cocrystals of succinic acid and 4-aminobenzoic acid","CrystEngComm","2012","14","7","2454","","10.1039/c2ce06325e","","","0.71073","MoKα","","0.0563","0.0474","","","0.1261","0.1333","","","","","","1.053","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207555","9.916","0.007","9.185","0.006","11.738","0.007","90","","90","","90","","1069.1","1.2","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","N'-2-butylidene-4-hydroxybenzohydrazide","","- C11 H14 N2 O2 -","- C11 H14 N2 O2 -","- C44 H56 N8 O8 -","4","1","","Centore, Roberto; Jazbinsek, Mojca; Tuzi, Angela; Roviello, Antonio; Capobianco, Amedeo; Peluso, Andrea","A series of compounds forming polar crystals and showing single-crystal-to-single-crystal transitions between polar phases","CrystEngComm","2012","14","8","2645","","10.1039/c2ce06352b","","x-ray","0.71073","MoKα","","0.1495","0.0578","","","0.0986","0.1221","","","","","","1.004","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207556","9.835","0.003","9.153","0.003","11.37","0.005","90","","90","","90","","1023.5","0.6","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","N'-2-propylidene-4-hydroxybenzohydrazide","","- C10 H12 N2 O2 -","- C10 H12 N2 O2 -","- C40 H48 N8 O8 -","4","1","","Centore, Roberto; Jazbinsek, Mojca; Tuzi, Angela; Roviello, Antonio; Capobianco, Amedeo; Peluso, Andrea","A series of compounds forming polar crystals and showing single-crystal-to-single-crystal transitions between polar phases","CrystEngComm","2012","14","8","2645","","10.1039/c2ce06352b","","x-ray","0.71073","MoKα","","0.0532","0.0462","","","0.1203","0.129","","","","","","1.07","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207557","9.875","0.002","9.103","0.003","11.59","0.005","90","","90","","90","","1041.8","0.6","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","N'-2-propylidene-4-hydroxybenzohydrazide","","- C10 H12 N2 O2 -","- C10 H12 N2 O2 -","- C40 H48 N8 O8 -","4","1","","Centore, Roberto; Jazbinsek, Mojca; Tuzi, Angela; Roviello, Antonio; Capobianco, Amedeo; Peluso, Andrea","A series of compounds forming polar crystals and showing single-crystal-to-single-crystal transitions between polar phases","CrystEngComm","2012","14","8","2645","","10.1039/c2ce06352b","","x-ray","0.71073","MoKα","","0.0636","0.0424","","","0.0959","0.1073","","","","","","1.055","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207558","9.968","0.005","8.082","0.005","13.267","0.008","90","","90","","90","","1068.8","1.1","368","2","368","2","","","","","","","","4","P n a 21","P 2c -2n","33","N'-2-propylidene-4-hydroxybenzohydrazide","N'-2-propylidene-4-hydroxybenzohydrazide","","- C10 H12 N2 O2 -","- C10 H12 N2 O2 -","- C40 H48 N8 O8 -","4","1","","Centore, Roberto; Jazbinsek, Mojca; Tuzi, Angela; Roviello, Antonio; Capobianco, Amedeo; Peluso, Andrea","A series of compounds forming polar crystals and showing single-crystal-to-single-crystal transitions between polar phases","CrystEngComm","2012","14","8","2645","","10.1039/c2ce06352b","","x-ray","0.71073","MoKα","","0.0974","0.0642","","","0.1763","0.2047","","","","","","1.121","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207559","9.008","0.001","7.064","0.001","15.833","0.002","90","","90","","90","","1007.5","0.2","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","N'-2-propylidene-4-hydroxybenzohydrazide","","- C10 H12 N2 O2 -","- C10 H12 N2 O2 -","- C40 H48 N8 O8 -","4","1","","Centore, Roberto; Jazbinsek, Mojca; Tuzi, Angela; Roviello, Antonio; Capobianco, Amedeo; Peluso, Andrea","A series of compounds forming polar crystals and showing single-crystal-to-single-crystal transitions between polar phases","CrystEngComm","2012","14","8","2645","","10.1039/c2ce06352b","","x-ray","0.71073","MoKα","","0.0382","0.0313","","","0.089","0.0967","","","","","","0.91","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207560","9.157","0.004","7.196","0.003","15.566","0.006","90","","90","","90","","1025.7","0.7","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","N'-2-propylidene-4-hydroxybenzohydrazide","","- C10 H12 N2 O2 -","- C10 H12 N2 O2 -","- C40 H48 N8 O8 -","4","1","","Centore, Roberto; Jazbinsek, Mojca; Tuzi, Angela; Roviello, Antonio; Capobianco, Amedeo; Peluso, Andrea","A series of compounds forming polar crystals and showing single-crystal-to-single-crystal transitions between polar phases","CrystEngComm","2012","14","8","2645","","10.1039/c2ce06352b","","x-ray","0.71073","MoKα","","0.049","0.037","","","0.0901","0.0974","","","","","","1.099","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207561","9.818","0.006","10.485","0.008","11.333","0.008","90","","90","","90","","1166.6","1.4","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","N'-cyclohexylidene-4-hydroxybenzohydrazide'","","- C13 H16 N2 O2 -","- C13 H16 N2 O2 -","- C52 H64 N8 O8 -","4","1","","Centore, Roberto; Jazbinsek, Mojca; Tuzi, Angela; Roviello, Antonio; Capobianco, Amedeo; Peluso, Andrea","A series of compounds forming polar crystals and showing single-crystal-to-single-crystal transitions between polar phases","CrystEngComm","2012","14","8","2645","","10.1039/c2ce06352b","","x-ray","0.71073","MoKα","","0.1047","0.0535","","","0.1144","0.1382","","","","","","1.009","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207562","8.415","0.004","16.247","0.007","7.729","0.003","90","","112.6","0.03","90","","975.6","0.8","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","N'-cyclobutylidene-4-hydroxybenzohydrazide'","","- C11 H12 N2 O2 -","- C11 H12 N2 O2 -","- C44 H48 N8 O8 -","4","1","","Centore, Roberto; Jazbinsek, Mojca; Tuzi, Angela; Roviello, Antonio; Capobianco, Amedeo; Peluso, Andrea","A series of compounds forming polar crystals and showing single-crystal-to-single-crystal transitions between polar phases","CrystEngComm","2012","14","8","2645","","10.1039/c2ce06352b","","x-ray","0.71073","MoKα","","0.0571","0.043","","","0.106","0.1165","","","","","","1.109","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207563","7.4965","0.0002","11.4692","0.0004","12.3648","0.0005","68.093","0.002","88.655","0.002","81.853","0.002","975.89","0.06","293","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H24 N2 O6 -","- C20 H24 N2 O6 -","- C40 H48 N4 O12 -","2","1","","Yang, Caiqin; Zhang, Zhenwei; Zeng, Yanli; Wang, Jing; Wang, Yongli; Ma, Baoqing","Structures and characterization of m-nisoldipine polymorphs","CrystEngComm","2012","14","7","2589","","10.1039/c2ce06359j","","","0.7107","MoKα","","0.1149","0.0676","","","0.1872","0.2265","","","","","","1.01","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207564","17.0708","0.0014","11.9644","0.001","11.0576","0.0009","90","","106.189","0.001","90","","2168.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H33 Cl F N3 O -","- C23 H33 Cl F N3 O -","- C92 H132 Cl4 F4 N12 O4 -","4","1","","Maddileti, D.; Thakuria, Ranjit; Cherukuvada, Suryanarayan; Nangia, Ashwini","Blonanserin HCl salt and its monohydrate","CrystEngComm","2012","14","7","2367","","10.1039/c2ce06367k","","","0.71073","MoKα","","0.0611","0.0499","","","0.1075","0.1136","","","","","","1.025","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207565","7.485","0.01","8.578","0.009","16.794","0.018","82.718","0.017","85.478","0.017","84.883","0.011","1063","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H31 Cl F N3 -","- C23 H31 Cl F N3 -","- C46 H62 Cl2 F2 N6 -","2","1","","Maddileti, D.; Thakuria, Ranjit; Cherukuvada, Suryanarayan; Nangia, Ashwini","Blonanserin HCl salt and its monohydrate","CrystEngComm","2012","14","7","2367","","10.1039/c2ce06367k","","","0.71073","MoKα","","0.1063","0.0741","","","0.1953","0.242","","","","","","1.047","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207566","13.1622","0.0015","7.2427","0.0008","17.7408","0.0019","90","","103.584","0.002","90","","1643.9","0.3","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C18 H13 Co N2 O5 -","- C18 H11 Co N2 O5 -","- C72 H44 Co4 N8 O20 -","4","1","","Liu, Bo; Miao, Hui; Pang, Ling-Yan; Hou, Lei; Wang, Yao-Yu; Shi, Qi-Zhen","Solvent influences structural variation from a 3D 4-fold interpenetrated framework to a 2D layer-type porous coordination polymer: Structure analysis and highly selective gas adsorption properties","CrystEngComm","2012","14","8","2954","","10.1039/c2ce06372g","","","0.71073","MoKα","","0.0424","0.0353","","","0.0901","0.0942","","","","","","1.044","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207567","17.795","0.002","14.8776","0.0019","16.052","0.002","90","","109.14","0.002","90","","4014.8","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H17 Co N2 O7 -","- C18 H13 Co N2 O7 -","- C144 H104 Co8 N16 O56 -","8","1","","Liu, Bo; Miao, Hui; Pang, Ling-Yan; Hou, Lei; Wang, Yao-Yu; Shi, Qi-Zhen","Solvent influences structural variation from a 3D 4-fold interpenetrated framework to a 2D layer-type porous coordination polymer: Structure analysis and highly selective gas adsorption properties","CrystEngComm","2012","14","8","2954","","10.1039/c2ce06372g","","","0.71073","MoKα","","0.0793","0.0611","","","0.1845","0.1984","","","","","","1.088","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207568","7.883","0.002","8.697","0.003","12.506","0.004","90","","97.74","0.03","90","","849.6","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 N6 O6 -","- C16 H18 N6 O6 -","- C32 H36 N12 O12 -","2","0.5","","Cherukuvada, Suryanarayan; Nangia, Ashwini","Fast dissolving eutectic compositions of two anti-tubercular drugs","CrystEngComm","2012","14","7","2579","","10.1039/c2ce06391c","","","0.71073","MoKα","","0.0435","0.0397","","","0.0942","0.0968","","","","","","1.114","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207569","8.1339","0.0003","8.7424","0.0004","12.4779","0.0005","90","","96.933","0.004","90","","880.81","0.06","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 N6 O6 -","- C16 H18 N6 O6 -","- C32 H36 N12 O12 -","2","0.5","","Cherukuvada, Suryanarayan; Nangia, Ashwini","Fast dissolving eutectic compositions of two anti-tubercular drugs","CrystEngComm","2012","14","7","2579","","10.1039/c2ce06391c","","","0.71073","MoKα","","0.0447","0.0366","","","0.0897","0.0956","","","","","","1.052","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207570","6.971","0.006","19.508","0.017","7.26","0.006","90","","114.603","0.013","90","","897.7","1.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H10 N3 O3 -","- C8 H10 N3 O3 -","- C32 H40 N12 O12 -","4","1","","Cherukuvada, Suryanarayan; Nangia, Ashwini","Fast dissolving eutectic compositions of two anti-tubercular drugs","CrystEngComm","2012","14","7","2579","","10.1039/c2ce06391c","","","0.71073","MoKα","","0.0551","0.0486","","","0.1301","0.1356","","","","","","1.085","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207571","3.7408","0.0007","17.352","0.002","12.558","0.002","90","","95.76","0.016","90","","811","0.2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H7 N3 O3 -","- C7 H7 N3 O3 -","- C28 H28 N12 O12 -","4","1","","Cherukuvada, Suryanarayan; Nangia, Ashwini","Fast dissolving eutectic compositions of two anti-tubercular drugs","CrystEngComm","2012","14","7","2579","","10.1039/c2ce06391c","","","0.71073","MoKα","","0.0739","0.052","","","0.1146","0.1351","","","","","","1.04","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207572","3.8701","0.0004","17.3536","0.0018","12.4978","0.0013","90","","95.859","0.002","90","","834.97","0.15","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H8 N3 O3 -","- C7 H8 N3 O3 -","- C28 H32 N12 O12 -","4","1","","Cherukuvada, Suryanarayan; Nangia, Ashwini","Fast dissolving eutectic compositions of two anti-tubercular drugs","CrystEngComm","2012","14","7","2579","","10.1039/c2ce06391c","","","0.71073","MoKα","","0.0502","0.0424","","","0.1038","0.1081","","","","","","1.056","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207573","8.2124","0.0007","18.5162","0.0017","34.876","0.003","90","","90","","90","","5303.3","0.8","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Dutasteride hemihydrate","","","- C54 H62 F12 N4 O5 -","- C54 H62 F12 N4 O5 -","- C216 H248 F48 N16 O20 -","4","1","","Nanubolu, Jagadeesh Babu; Sridhar, Balasubramanian; Ravikumar, Krishnan","Resonance-assisted amide protonation in dutasteride hydrochloride salt","CrystEngComm","2012","14","7","2571","","10.1039/c2ce06421a","","","0.71073","MoKα","","0.0761","0.066","","","0.177","0.1893","","","","","","1.121","","","","has coordinates,has disorder","180406","2020-10-21","18:00:00",""
"7207574","7.9357","0.0007","9.105","0.0008","11.1952","0.0009","73.746","0.001","88.687","0.001","86.193","0.001","774.85","0.11","294","2","294","2","","","","","","","","6","P 1","P 1","1","Dutasteride chloride hydrate ethanol solvate","","","- C29 H39 Cl F6 N2 O4 -","- C29 H39 Cl F6 N2 O4 -","- C29 H39 Cl F6 N2 O4 -","1","1","","Nanubolu, Jagadeesh Babu; Sridhar, Balasubramanian; Ravikumar, Krishnan","Resonance-assisted amide protonation in dutasteride hydrochloride salt","CrystEngComm","2012","14","7","2571","","10.1039/c2ce06421a","","","0.71073","MoKα","","0.0479","0.0448","","","0.101","0.1031","","","","","","1.072","","","","has coordinates,has disorder","180406","2020-10-21","18:00:00",""
"7207575","6.2064","0.0012","13.189","0.003","14.101","0.003","73.07","0.03","87.75","0.03","78.39","0.03","1081.4","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H17 Ba O10.5 S -","- C14 H17.04 Ba O10.52 S -","- C28 H34.08 Ba2 O21.04 S2 -","2","1","","Xiao, Dongrong; Chen, Haiyan; Sun, Dianzhen; He, Jianghong; Yan, Shiwei; Yang, Juan; Wang, Xin; Yuan, Ruo; Wang, Enbo","Guest-induced expanding and shrinking porous modulation based on interdigitated metal‒organic frameworks constructed by 4,4′-sulfonyldibenzoate and barium ions","CrystEngComm","2012","14","8","2849","","10.1039/c2ce06428f","","","0.71073","MoKα","","0.0494","0.0398","","","0.114","0.1219","","","","","","1.004","","","","has coordinates","189142","2020-10-21","18:00:00",""
"7207576","6.3038","0.0003","12.8616","0.0007","13.8616","0.0008","77.467","0.002","86.23","0.002","84.291","0.002","1090.51","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H21 Ba O11 S -","- C17 H21 Ba O11 S -","- C34 H42 Ba2 O22 S2 -","2","1","","Xiao, Dongrong; Chen, Haiyan; Sun, Dianzhen; He, Jianghong; Yan, Shiwei; Yang, Juan; Wang, Xin; Yuan, Ruo; Wang, Enbo","Guest-induced expanding and shrinking porous modulation based on interdigitated metal‒organic frameworks constructed by 4,4′-sulfonyldibenzoate and barium ions","CrystEngComm","2012","14","8","2849","","10.1039/c2ce06428f","","","0.71073","MoKα","","0.0406","0.0395","","","0.1126","0.114","","","","","","1.003","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207577","6.3032","0.0007","13.0543","0.0014","13.9108","0.0015","76.742","0.001","86.683","0.001","83.306","0.001","1106","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C17.5 H22 Ba N0 O11 S -","- C17.5 H22 Ba O11 S -","- C35 H44 Ba2 O22 S2 -","2","1","","Xiao, Dongrong; Chen, Haiyan; Sun, Dianzhen; He, Jianghong; Yan, Shiwei; Yang, Juan; Wang, Xin; Yuan, Ruo; Wang, Enbo","Guest-induced expanding and shrinking porous modulation based on interdigitated metal‒organic frameworks constructed by 4,4′-sulfonyldibenzoate and barium ions","CrystEngComm","2012","14","8","2849","","10.1039/c2ce06428f","","","0.71073","MoKα","","0.0246","0.0233","","","0.0703","0.0714","","","","","","0.994","","","","has coordinates","189142","2020-10-21","18:00:00",""
"7207578","6.3012","0.0005","14.0909","0.001","14.1544","0.001","113.043","0.001","91.63","0.001","93.08","0.001","1153.14","0.15","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H22 Ba N O11 S -","- C19 H22 Ba N O11 S -","- C38 H44 Ba2 N2 O22 S2 -","2","1","","Xiao, Dongrong; Chen, Haiyan; Sun, Dianzhen; He, Jianghong; Yan, Shiwei; Yang, Juan; Wang, Xin; Yuan, Ruo; Wang, Enbo","Guest-induced expanding and shrinking porous modulation based on interdigitated metal‒organic frameworks constructed by 4,4′-sulfonyldibenzoate and barium ions","CrystEngComm","2012","14","8","2849","","10.1039/c2ce06428f","","","0.71073","MoKα","","0.0277","0.0256","","","0.0739","0.0756","","","","","","1.04","","","","has coordinates","189142","2020-10-21","18:00:00",""
"7207579","6.3003","0.0002","14.0098","0.0004","14.6389","0.0004","64.98","0.001","89.644","0.001","89.075","0.001","1170.71","0.06","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C16.5 H21.5 Ba N O11 S -","- C16.5 H21.5 Ba N O11 S -","- C33 H43 Ba2 N2 O22 S2 -","2","1","","Xiao, Dongrong; Chen, Haiyan; Sun, Dianzhen; He, Jianghong; Yan, Shiwei; Yang, Juan; Wang, Xin; Yuan, Ruo; Wang, Enbo","Guest-induced expanding and shrinking porous modulation based on interdigitated metal‒organic frameworks constructed by 4,4′-sulfonyldibenzoate and barium ions","CrystEngComm","2012","14","8","2849","","10.1039/c2ce06428f","","","0.71073","MoKα","","0.0259","0.0244","","","0.0744","0.0758","","","","","","0.999","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207580","6.273","0.0013","13.638","0.003","14.194","0.003","70.26","0.03","89.06","0.03","80.07","0.03","1124.7","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H18.5 Ba F O10.25 S -","- C17 H18.5 Ba F O10.25 S -","- C34 H37 Ba2 F2 O20.5 S2 -","2","1","","Xiao, Dongrong; Chen, Haiyan; Sun, Dianzhen; He, Jianghong; Yan, Shiwei; Yang, Juan; Wang, Xin; Yuan, Ruo; Wang, Enbo","Guest-induced expanding and shrinking porous modulation based on interdigitated metal‒organic frameworks constructed by 4,4′-sulfonyldibenzoate and barium ions","CrystEngComm","2012","14","8","2849","","10.1039/c2ce06428f","","","0.71073","MoKα","","0.0655","0.0607","","","0.2201","0.2543","","","","","","1.002","","","","has coordinates,has disorder","189142","2020-10-21","18:00:00",""
"7207581","6.317","0.002","14.13","0.005","14.147","0.005","112.859","0.004","91.748","0.004","91.742","0.004","1161.8","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H23 Ba O13.5 S -","- C14 H23 Ba O13.5 S -","- C28 H46 Ba2 O27 S2 -","2","1","","Xiao, Dongrong; Chen, Haiyan; Sun, Dianzhen; He, Jianghong; Yan, Shiwei; Yang, Juan; Wang, Xin; Yuan, Ruo; Wang, Enbo","Guest-induced expanding and shrinking porous modulation based on interdigitated metal‒organic frameworks constructed by 4,4′-sulfonyldibenzoate and barium ions","CrystEngComm","2012","14","8","2849","","10.1039/c2ce06428f","","","0.71073","MoKα","","0.058","0.0549","","","0.1632","0.1675","","","","","","0.997","","","","has coordinates","189142","2020-10-21","18:00:00",""
"7207582","8.7652","0.0012","26.451","0.002","14.962","0.0018","90","","100.861","0.009","90","","3406.8","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H82 N20 O26 Zn3 -","- C48 H66 N20 O26 Zn3 -","- C96 H132 N40 O52 Zn6 -","2","0.5","","Wen, Yuehong; Sheng, Tianlu; Zhu, Qilong; Hu, Shengmin; Tan, Chunhong; Fu, Ruibiao; Wu, Xintao","Self assembly of a tren-derivative hydrogenated Schiff base with transition metal ions: syntheses, crystal structures and photoluminescent properties","CrystEngComm","2012","14","8","2879","","10.1039/c2ce06481b","","","0.71073","MoKα","","0.0745","0.0665","","","0.2114","0.2252","","","","","","1.004","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207583","16.1042","0.0016","9.2778","0.0006","21.079","0.002","90","","101.627","0.006","90","","3084.8","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H37 Cd2 Cl4 N7 O2 -","- C24 H33 Cd2 Cl4 N7 O2 -","- C96 H132 Cd8 Cl16 N28 O8 -","4","1","","Wen, Yuehong; Sheng, Tianlu; Zhu, Qilong; Hu, Shengmin; Tan, Chunhong; Fu, Ruibiao; Wu, Xintao","Self assembly of a tren-derivative hydrogenated Schiff base with transition metal ions: syntheses, crystal structures and photoluminescent properties","CrystEngComm","2012","14","8","2879","","10.1039/c2ce06481b","","","0.71073","MoKα","","0.0626","0.0457","","","0.1325","0.1505","","","","","","0.988","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207584","25.184","0.015","17.768","0.011","16.452","0.008","90","","114.83","0.03","90","","6681","7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H39 Cd1.5 N10 O12 -","- C24 H33 Cd1.5 N10 O12 -","- C192 H264 Cd12 N80 O96 -","8","1","","Wen, Yuehong; Sheng, Tianlu; Zhu, Qilong; Hu, Shengmin; Tan, Chunhong; Fu, Ruibiao; Wu, Xintao","Self assembly of a tren-derivative hydrogenated Schiff base with transition metal ions: syntheses, crystal structures and photoluminescent properties","CrystEngComm","2012","14","8","2879","","10.1039/c2ce06481b","","","0.71073","MoKα","","0.0995","0.0651","","","0.1648","0.1933","","","","","","1.096","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207585","9.1896","0.0008","14.2875","0.0013","27.356","0.002","90","","93.552","0.008","90","","3584.8","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H47 Cl3 Mn1.5 N7 O7 -","- C24 H33 Cl3 Mn1.5 N7 O7 -","- C96 H132 Cl12 Mn6 N28 O28 -","4","1","","Wen, Yuehong; Sheng, Tianlu; Zhu, Qilong; Hu, Shengmin; Tan, Chunhong; Fu, Ruibiao; Wu, Xintao","Self assembly of a tren-derivative hydrogenated Schiff base with transition metal ions: syntheses, crystal structures and photoluminescent properties","CrystEngComm","2012","14","8","2879","","10.1039/c2ce06481b","","","0.71073","MoKα","","0.1099","0.077","","","0.2156","0.2457","","","","","","1.035","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207586","9.7504","0.0001","9.7504","0.0001","21.2854","0.0015","90","","90","","120","","1752.5","0.13","123","2","123","2","","","","","","","","4","R 3 2 :H","R 3 2""","155","catena-clambda-(triaqua-1.5(mu-dihydroxymalonato- kappaO,O'':O''',O'''')lanthanum(iii))","catena-Λ-[triaqua-1.5(μ-dihydroxymalonato- κO,O'':O''',O'''')lanthanum(III)]","","- C9 H18 La2 O24 -","- C9 H18 La2 O24 -","- C27 H54 La6 O72 -","3","0.166667","","Gil-Hernández, Beatriz; Maclaren, Jana K.; Höppe, Henning A.; Pasán, Jorge; Sanchiz, Joaquín; Janiak, Christoph","Homochiral lanthanoid(iii) mesoxalate metal‒organic frameworks: synthesis, crystal growth, chirality, magnetic and luminescent properties","CrystEngComm","2012","14","8","2635","","10.1039/c2ce06496k","","","0.71073","MoKα","","0.0126","0.0125","","","0.0296","0.0297","","","","","","1.189","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207587","9.7193","0.0014","9.7193","0.0014","21.191","0.004","90","","90","","120","","1733.6","0.5","293","2","293","2","","","","","","","","4","R 3 2 :H","R 3 2""","155","","catena-Λ-[triaqua-1.5(μ-dihydroxymalonato- κO,O'':O''',O'''')cerium(III)]","","- C9 H18 Ce2 O24 -","- C9 H18 Ce2 O24 -","- C27 H54 Ce6 O72 -","3","0.166667","","Gil-Hernández, Beatriz; Maclaren, Jana K.; Höppe, Henning A.; Pasán, Jorge; Sanchiz, Joaquín; Janiak, Christoph","Homochiral lanthanoid(iii) mesoxalate metal‒organic frameworks: synthesis, crystal growth, chirality, magnetic and luminescent properties","CrystEngComm","2012","14","8","2635","","10.1039/c2ce06496k","","x-ray","0.71073","MoKα","","0.0133","0.0127","","","0.0358","0.0361","","","","","","1.202","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207588","9.7612","0.0004","9.7612","0.0004","21.3097","0.0009","90","","90","","120","","1758.39","0.13","294","2","294","2","","","","","","","","4","R 3 2 :H","R 3 2""","155","","catena-Λ-[triaqua-1.5(μ-dihydroxymalonato- κO,O'':O''',O'''')praseodymium(III)]","","- C9 H18 O24 Pr2 -","- C9 H18 O24 Pr2 -","- C27 H54 O72 Pr6 -","3","0.166667","","Gil-Hernández, Beatriz; Maclaren, Jana K.; Höppe, Henning A.; Pasán, Jorge; Sanchiz, Joaquín; Janiak, Christoph","Homochiral lanthanoid(iii) mesoxalate metal‒organic frameworks: synthesis, crystal growth, chirality, magnetic and luminescent properties","CrystEngComm","2012","14","8","2635","","10.1039/c2ce06496k","","","0.71073","MoKα","","0.0156","0.0145","","","0.0274","0.0276","","","","","","1.176","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207589","9.6974","0.0001","9.6974","0.0001","20.976","0.0005","90","","90","","120","","1708.3","0.05","203","2","203","2","","","","","","","","4","R 3 2 :H","R 3 2""","155","","catena-Λ-[triaqua-1.5(μ-dihydroxymalonato- κO,O'':O''',O'''')neodymium(III)]","","- C9 H18 Nd2 O24 -","- C9 H18 Nd2 O24 -","- C27 H54 Nd6 O72 -","3","0.166667","","Gil-Hernández, Beatriz; Maclaren, Jana K.; Höppe, Henning A.; Pasán, Jorge; Sanchiz, Joaquín; Janiak, Christoph","Homochiral lanthanoid(iii) mesoxalate metal‒organic frameworks: synthesis, crystal growth, chirality, magnetic and luminescent properties","CrystEngComm","2012","14","8","2635","","10.1039/c2ce06496k","","","0.71073","MoKα","","0.016","0.0146","","","0.0292","0.0296","","","","","","1.054","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207590","9.6396","0.0008","9.6396","0.0008","20.7433","0.0016","90","","90","","120","","1669.3","0.2","294","2","294","2","","","","","","","","4","R 3 2 :H","R 3 2""","155","","catena-Λ-[triaqua-1.5(μ-dihydroxymalonato- κO,O'':O''',O'''')gadolinium(III)]","","- C9 H18 Gd2 O24 -","- C9 H18 Gd2 O24 -","- C27 H54 Gd6 O72 -","3","0.166667","","Gil-Hernández, Beatriz; Maclaren, Jana K.; Höppe, Henning A.; Pasán, Jorge; Sanchiz, Joaquín; Janiak, Christoph","Homochiral lanthanoid(iii) mesoxalate metal‒organic frameworks: synthesis, crystal growth, chirality, magnetic and luminescent properties","CrystEngComm","2012","14","8","2635","","10.1039/c2ce06496k","","","0.71073","MoKα","","0.0187","0.0179","","","0.0391","0.0394","","","","","","1.19","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207591","9.5813","0.0002","9.5813","0.0002","20.4715","0.0006","90","","90","","120","","1627.53","0.07","203","2","203","2","","","","","","","","4","R 3 2 :H","R 3 2""","155","","catena-Δ-[triaqua-1.5(μ-dihydroxymalonato- κO,O'':O''',O'''')erbium(III)]","","- C9 H18 Er2 O24 -","- C9 H18 Er2 O24 -","- C27 H54 Er6 O72 -","3","0.166667","","Gil-Hernández, Beatriz; Maclaren, Jana K.; Höppe, Henning A.; Pasán, Jorge; Sanchiz, Joaquín; Janiak, Christoph","Homochiral lanthanoid(iii) mesoxalate metal‒organic frameworks: synthesis, crystal growth, chirality, magnetic and luminescent properties","CrystEngComm","2012","14","8","2635","","10.1039/c2ce06496k","","","0.71073","MoKα","","0.0133","0.0132","","","0.0357","0.0357","","","","","","1.23","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207592","9.5548","0.0001","9.5548","0.0001","20.4006","0.0004","90","","90","","120","","1612.93","0.04","203","2","203","2","","","","","","","","4","R 3 2 :H","R 3 2""","155","","catena-Δ-[triaqua-1.5(μ-dihydroxymalonato- κO,O'':O''',O'''')ytterbium(III)]","","- C9 H18 O24 Yb2 -","- C9 H18 O24 Yb2 -","- C27 H54 O72 Yb6 -","3","0.166667","","Gil-Hernández, Beatriz; Maclaren, Jana K.; Höppe, Henning A.; Pasán, Jorge; Sanchiz, Joaquín; Janiak, Christoph","Homochiral lanthanoid(iii) mesoxalate metal‒organic frameworks: synthesis, crystal growth, chirality, magnetic and luminescent properties","CrystEngComm","2012","14","8","2635","","10.1039/c2ce06496k","","","0.71073","MoKα","","0.0137","0.0132","","","0.0366","0.0367","","","","","","1.276","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207593","6.80704","0.00007","20.73858","0.00018","6.449","0.00006","90","","76.4302","0.0005","90","","884.981","0.015","298","2","298","","","","","","","","","3","P 1 21 1","P 2yb","4","(7alpha,17beta)-17-ethynyl-17-hydroxy-7-methylestr-4(5)en-3- one","(7alpha,17beta)-17-ethynyl-17-hydroxy-7-methylestr-4(5)en-3-one","","- C21 H28 O2 -","- C21 H28 O2 -","- C42 H56 O4 -","2","1","","Gomez, Ariel; Antonio, Selma Gutierrez; Barros de Araujo, Gabriel Lima; Ferreira, Fabio Furlan; Paiva-Santos, Carlos Oliveira","Crystal structure of isotibolone: a major degradation product of tibolone","CrystEngComm","2012","14","8","2826","","10.1039/c2ce06504e","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","0.00847","0.01984","1.845","","","","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207594","6.6573","0.0013","8.1256","0.0014","18.128","0.003","95.391","0.01","97.999","0.012","104.439","0.014","931.9","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","242 (3-pyridyl)-CONH-N=CH-(2-pyridyl), hexanoic acid hydrate","","- C18 H24 N4 O4 -","- C18 H24 N4 O4 -","- C36 H48 N8 O8 -","2","1","","Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John","The effect of water molecules in stabilizing co-crystals of active pharmaceutical ingredients","CrystEngComm","2012","14","7","2435","","10.1039/c2ce06506a","","","0.71073","MoKα","","0.1249","0.063","","","0.1541","0.1825","","","","","","0.894","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207595","6.661","0.0008","8.4541","0.0011","19.684","0.002","99.459","0.008","94.349","0.009","107.887","0.008","1031.1","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","SF241 formylpyridine phenylhydrazone, octanoic acid, hydrate","","- C20 H28 N4 O4 -","- C20 H28 N4 O4 -","- C40 H56 N8 O8 -","2","1","","Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John","The effect of water molecules in stabilizing co-crystals of active pharmaceutical ingredients","CrystEngComm","2012","14","7","2435","","10.1039/c2ce06506a","","","0.71073","MoKα","","0.1322","0.0679","","","0.1609","0.1858","","","","","","0.847","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207596","6.6047","0.0008","8.0678","0.0009","15.3573","0.0018","98.182","0.006","101.688","0.008","104.436","0.009","759.84","0.16","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","SF363 [4-pyridyl-CONH-N=CH-2-pyridyl] adipic acid","","- C30 H34 N8 O8 -","- C30 H34 N8 O8 -","- C30 H34 N8 O8 -","1","0.5","","Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John","The effect of water molecules in stabilizing co-crystals of active pharmaceutical ingredients","CrystEngComm","2012","14","7","2435","","10.1039/c2ce06506a","","","0.71073","MoKα","","0.078","0.0589","","","0.1523","0.1713","","","","","","1.07","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207597","6.6074","0.0006","8.1545","0.0007","15.8735","0.0014","81.488","0.006","83.679","0.006","75.024","0.007","814.8","0.13","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","SF357 [(3-pyridyl)-CONH-N=CH-(2-pyridyl)]2, octanedioic acid hydrate","","- C32 H38 N8 O8 -","- C32 H38 N8 O8 -","- C32 H38 N8 O8 -","1","0.5","","Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John","The effect of water molecules in stabilizing co-crystals of active pharmaceutical ingredients","CrystEngComm","2012","14","7","2435","","10.1039/c2ce06506a","","","0.71073","MoKα","","0.1044","0.0541","","","0.13","0.1572","","","","","","0.934","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207598","6.5516","0.0004","8.1666","0.0005","33.7458","0.0019","94.293","0.003","93.041","0.003","105.225","0.003","1732.32","0.18","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","SF 356 (4-pyridyl)-CONH-N=CH-(2-pyridyl), decanedioic acid","","- C34 H42 N8 O8 -","- C34 H42 N8 O8 -","- C68 H84 N16 O16 -","2","1","","Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John","The effect of water molecules in stabilizing co-crystals of active pharmaceutical ingredients","CrystEngComm","2012","14","7","2435","","10.1039/c2ce06506a","","","0.71073","MoKα","","0.1133","0.0508","","","0.1141","0.1388","","","","","","1.013","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207599","8.8995","0.0002","14.6202","0.0004","14.0267","0.0003","90","","93.198","0.002","90","","1822.21","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","C20 (4-pyridyl)-CONH-N=CH-(2-pyridyl), 4-aminobenzoic acid hydrate ?","","- C19 H19 N5 O4 -","- C19 H19 N5 O4 -","- C76 H76 N20 O16 -","4","1","","Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John","The effect of water molecules in stabilizing co-crystals of active pharmaceutical ingredients","CrystEngComm","2012","14","7","2435","","10.1039/c2ce06506a","","","0.71073","MoKα","","0.0673","0.042","","","0.0997","0.1129","","","","","","1.027","","","","has coordinates","180406","2020-10-21","18:00:00",""
"7207600","6.6065","0.0014","7.2295","0.0017","21.354","0.004","92.457","0.013","97.668","0.014","116.706","0.015","896.8","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","SF228 (3-pyridyl)-CONH-N=CH-(2-pyridyl), 3-fluorobenzoic acid","","- C19 H17 F N4 O4 -","- C19 H17 F N4 O4 -","- C38 H34 F2 N8 O8 -","2","1","","Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John","The effect of water molecules in stabilizing co-crystals of active pharmaceutical ingredients","CrystEngComm","2012","14","7","2435","","10.1039/c2ce06506a","","","0.71073","MoKα","","0.172","0.0624","","","0.1467","0.1947","","","","","","0.885","","","","has coordinates,has disorder","180407","2020-10-21","18:00:00",""
"7207601","7.4376","0.0002","12.3798","0.0004","39.348","0.0011","90","","93.396","0.002","90","","3616.64","0.18","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","SF355 4-pyridyl-CONH-N=CH-2-pyridyl, 2,4-difluorobenzoic acid hydrate","","- C19 H16 F2 N4 O4.1 -","- C19 H16 F2 N4 O4.1 -","- C152 H128 F16 N32 O32.8 -","8","1","","Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John","The effect of water molecules in stabilizing co-crystals of active pharmaceutical ingredients","CrystEngComm","2012","14","7","2435","","10.1039/c2ce06506a","","","0.71073","MoKα","","0.0713","0.054","","","0.1381","0.1528","","","","","","1.091","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207602","6.5983","0.0013","7.2343","0.0014","19.755","0.004","81.922","0.011","84.772","0.014","80.711","0.016","919.1","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","SF229 (3-pyridyl)-CONH-N=CH-(2-pyridyl), 4-nitrobenzoic acid hydrate","","- C19 H17 N5 O6 -","- C19 H17 N5 O6 -","- C38 H34 N10 O12 -","2","1","","Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John","The effect of water molecules in stabilizing co-crystals of active pharmaceutical ingredients","CrystEngComm","2012","14","7","2435","","10.1039/c2ce06506a","","","0.71073","MoKα","","0.1363","0.0866","","","0.2181","0.2475","","","","","","0.924","","","","has coordinates,has disorder","180407","2020-10-21","18:00:00",""
"7207603","4.8122","0.0003","8.8128","0.0005","11.0772","0.0006","75.874","0.003","80.095","0.003","76.225","0.003","439.22","0.04","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","SF41 4-pyridyl-CONH-N=CH-4-pyridyl, succinic acid dihydrate","","- C16 H20 N4 O7 -","- C16 H20 N4 O7 -","- C16 H20 N4 O7 -","1","0.5","","Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John","The effect of water molecules in stabilizing co-crystals of active pharmaceutical ingredients","CrystEngComm","2012","14","7","2435","","10.1039/c2ce06506a","","","0.71073","MoKα","","0.0576","0.0491","","","0.1586","0.1659","","","","","","1.318","","","","has coordinates,has disorder","180407","2020-10-21","18:00:00",""
"7207604","6.8908","0.0003","11.3841","0.0006","12.6504","0.0006","66.395","0.002","89.086","0.002","84.907","0.002","905.54","0.08","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","SF807 [(4-pyridyl)-CONH-N=CH-(4-pyridyl)], hexanedioic acid hydrate","","- C18 H22 N4 O6 -","- C18 H22 N4 O6 -","- C36 H44 N8 O12 -","2","1","","Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John","The effect of water molecules in stabilizing co-crystals of active pharmaceutical ingredients","CrystEngComm","2012","14","7","2435","","10.1039/c2ce06506a","","","0.71073","MoKα","","0.0848","0.055","","","0.1322","0.1458","","","","","","1.05","","","","has coordinates,has disorder","180407","2020-10-21","18:00:00",""
"7207605","6.918","0.002","11.8","0.004","13.91","0.005","67.522","0.016","79.851","0.016","84.973","0.016","1032.6","0.6","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","SF40 4-pyridyl-CONH-N=CH-4-pyridyl, octanedioic acid hydrate","","- C20 H26 N4 O6 -","- C20 H26 N4 O6 -","- C40 H52 N8 O12 -","2","1","","Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John","The effect of water molecules in stabilizing co-crystals of active pharmaceutical ingredients","CrystEngComm","2012","14","7","2435","","10.1039/c2ce06506a","","","0.71073","MoKα","","0.1177","0.0629","","","0.1621","0.2042","","","","","","1.024","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207606","7.363","0.004","12.292","0.006","12.305","0.006","118.571","0.008","90.144","0.009","98.023","0.008","965.4","0.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","nevirapine-glutaric acid 1:1 co-crystal","11-cyclopropyl-5,11-dihydro-4-methyl-6H-dipyrido [3,2-b:2',3'-e]diazepin-6-one pentanedioic acid 1:1 co-crystal","","- C20 H22 N4 O5 -","- C20 H22 N4 O5 -","- C40 H44 N8 O10 -","2","1","","Caira, Mino R.; Bourne, Susan A.; Samsodien, Halima; Engel, Emile; Liebenberg, Wilna; Stieger, Nicole; Aucamp, Marique","Co-crystals of the antiretroviral nevirapine: crystal structures, thermal analysis and dissolution behaviour","CrystEngComm","2012","14","7","2541","","10.1039/c2ce06507j","","","0.71073","MoKα","","0.0537","0.0352","","","0.0798","0.0884","","","","","","1.007","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207607","7.4001","0.0005","10.4599","0.0007","23.2561","0.0016","90","","98.968","0.001","90","","1778.1","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","nevirapine-maleic acid 1:1 co-crystal","11-cyclopropyl-5,11-dihydro-4-methyl-6H-dipyrido[3,2-b:2',3'-e]diazepin-6-one (Z)-butenedioic acid 1:1 co-crystal","","- C19 H18 N4 O5 -","- C19 H18 N4 O5 -","- C76 H72 N16 O20 -","4","1","","Caira, Mino R.; Bourne, Susan A.; Samsodien, Halima; Engel, Emile; Liebenberg, Wilna; Stieger, Nicole; Aucamp, Marique","Co-crystals of the antiretroviral nevirapine: crystal structures, thermal analysis and dissolution behaviour","CrystEngComm","2012","14","7","2541","","10.1039/c2ce06507j","","","0.71073","MoKα","","0.0621","0.0413","","","0.0942","0.1035","","","","","","1.032","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207608","9.5649","0.0005","13.8069","0.0007","13.8726","0.0007","64.09","0.003","79.292","0.002","82.686","0.002","1616.98","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","nevirapine-saccharin 2:1 cocrystal","11-cyclopropyl-5,11-dihydro-4-methyl-6H-dipyrido[3,2-b:2',3'-e]diazepin-6-one 1,2-benzoisothiazol-3(2H)-one 1,1-dioxide 1:1 co-crystal","","- C37 H33 N9 O5 S -","- C37 H33 N9 O5 S -","- C74 H66 N18 O10 S2 -","2","1","","Caira, Mino R.; Bourne, Susan A.; Samsodien, Halima; Engel, Emile; Liebenberg, Wilna; Stieger, Nicole; Aucamp, Marique","Co-crystals of the antiretroviral nevirapine: crystal structures, thermal analysis and dissolution behaviour","CrystEngComm","2012","14","7","2541","","10.1039/c2ce06507j","","","0.71073","MoKα","","0.0855","0.0459","","","0.1035","0.1206","","","","","","1.039","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207609","11.1549","0.0014","12.6194","0.0015","13.4644","0.0016","113.374","0.002","99.133","0.002","107.324","0.002","1575.8","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","nevirapine-salicylic acid 2:1 co-crystal","11-cyclopropyl-5,11-dihydro-4-methyl-6H-dipyrido[3,2-b:2',3'-e]diazepin-6-one 2-hydroxybenzoic acid 2:1 co-crystal","","- C37 H34 N8 O5 -","- C37 H34 N8 O5 -","- C74 H68 N16 O10 -","2","1","","Caira, Mino R.; Bourne, Susan A.; Samsodien, Halima; Engel, Emile; Liebenberg, Wilna; Stieger, Nicole; Aucamp, Marique","Co-crystals of the antiretroviral nevirapine: crystal structures, thermal analysis and dissolution behaviour","CrystEngComm","2012","14","7","2541","","10.1039/c2ce06507j","","","0.71073","MoKα","","0.0899","0.0664","","","0.1851","0.2077","","","","","","1.042","","","","has coordinates,has disorder","180407","2020-10-21","18:00:00",""
"7207610","9.877","0.002","19.286","0.004","9.6971","0.0019","90","","90.66","0.03","90","","1847.1","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","nevirapine-rac-tartaric acid 1:1 co-crystal","11-cyclopropyl-5,11-dihydro-4-methyl-6H-dipyrido[3,2-b:2',3'-e]diazepin-6-one rac-2,3-dihydroxybutanedioic acid 1:1 co-crystal","","- C19 H20 N4 O7 -","- C19 H20 N4 O7 -","- C76 H80 N16 O28 -","4","1","","Caira, Mino R.; Bourne, Susan A.; Samsodien, Halima; Engel, Emile; Liebenberg, Wilna; Stieger, Nicole; Aucamp, Marique","Co-crystals of the antiretroviral nevirapine: crystal structures, thermal analysis and dissolution behaviour","CrystEngComm","2012","14","7","2541","","10.1039/c2ce06507j","","","0.71073","MoKα","","0.0518","0.0355","","","0.0795","0.0876","","","","","","1.03","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207611","17.0461","0.0006","21.6229","0.0009","9.8505","0.0004","90","","90","","90","","3630.8","0.2","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C25 H33 Br2 Cu6 N13 -","- C7 Br2 Cu6 N7 -","- C28 Br8 Cu24 N28 -","4","0.5","","Ding, Rui; Zhai, Quan-Guo; Niu, Jing-Ping; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Crystalline 3D open-framework halogeno(cyano)cuprates synthesized in ionic liquids","CrystEngComm","2012","14","8","2626","","10.1039/c2ce06508h","","","0.71073","MoKα","","0.086","0.0595","","","0.1401","0.1507","","","","","","1.01","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207612","7.0962","0.0002","12.4549","0.0007","13.158","0.0005","68.16","0.004","83.115","0.003","81.834","0.003","1065.68","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H39 Br2 Cu7 N14 -","- C8 Br2 Cu7 N8 -","- C8 Br2 Cu7 N8 -","1","0.5","","Ding, Rui; Zhai, Quan-Guo; Niu, Jing-Ping; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Crystalline 3D open-framework halogeno(cyano)cuprates synthesized in ionic liquids","CrystEngComm","2012","14","8","2626","","10.1039/c2ce06508h","","","0.71073","MoKα","","0.0735","0.0537","","","0.1558","0.1687","","","","","","1.007","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207613","8.2543","0.0011","12.6631","0.0016","14.1054","0.0018","99.035","0.002","98.947","0.002","95.887","0.002","1426.1","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H32 Co N4 O6 -","- C29 H32 Co N4 O6 -","- C58 H64 Co2 N8 O12 -","2","1","","Liu, Jian-Qiang; Wang, Yao-Yu; Wu, Tie; Wu, Jian","Control over multifarious entangled Co(ii) metal‒organic frameworks: role of steric bulk and molar ratio of organic ligands","CrystEngComm","2012","14","8","2906","","10.1039/c2ce06509f","","","0.71073","MoKα","","0.0604","0.0435","","","0.1306","0.1498","","","","","","0.851","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207614","9.866","0.006","11.392","0.007","11.936","0.007","63.328","0.008","79.908","0.008","88.633","0.008","1177.9","1.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H25 Co N2 O8 -","- C22 H21 Co N2 O7.056 -","- C44 H42 Co2 N4 O14.112 -","2","1","","Liu, Jian-Qiang; Wang, Yao-Yu; Wu, Tie; Wu, Jian","Control over multifarious entangled Co(ii) metal‒organic frameworks: role of steric bulk and molar ratio of organic ligands","CrystEngComm","2012","14","8","2906","","10.1039/c2ce06509f","","","0.71073","MoKα","","0.0682","0.0559","","","0.1721","0.1789","","","","","","1.177","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207615","9.352","0.0019","12.509","0.003","12.643","0.003","66.32","0.03","80.84","0.03","79.86","0.03","1326.9","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 Co N4 O6 -","- C26 H28 Co N4 O6 -","- C52 H56 Co2 N8 O12 -","2","1","","Liu, Jian-Qiang; Wang, Yao-Yu; Wu, Tie; Wu, Jian","Control over multifarious entangled Co(ii) metal‒organic frameworks: role of steric bulk and molar ratio of organic ligands","CrystEngComm","2012","14","8","2906","","10.1039/c2ce06509f","","","0.71073","MoKα","","0.0732","0.0609","","","0.1739","0.1883","","","","","","1.053","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207616","11.326","0.002","11.827","0.002","17.784","0.003","94.695","0.002","104.155","0.002","100.96","0.002","2247","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H50 Cd2 N12 O19 -","- C32 H50 Cd2 N12 O19 -","- C64 H100 Cd4 N24 O38 -","2","1","","Han, Min-Le; Wang, Jian-Ge; Ma, Lu-Fang; Guo, Hui; Wang, Li-Ya","Construction of Cd(ii) coordination polymers based on R-isophthalate (R = ‒CH3 or ‒OCH3) and flexible N-donor co-ligands: Syntheses, structures and photoluminescence","CrystEngComm","2012","14","8","2691","","10.1039/c2ce06511h","","","0.71073","MoKα","","0.0387","0.0291","","","0.0703","0.0764","","","","","","1.026","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207617","9.3161","0.0012","10.4338","0.0013","11.5703","0.0015","87.702","0.001","68.257","0.001","69.207","0.001","971.2","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 Cd N4 O6 -","- C18 H20 Cd N4 O6 -","- C36 H40 Cd2 N8 O12 -","2","1","","Han, Min-Le; Wang, Jian-Ge; Ma, Lu-Fang; Guo, Hui; Wang, Li-Ya","Construction of Cd(ii) coordination polymers based on R-isophthalate (R = ‒CH3 or ‒OCH3) and flexible N-donor co-ligands: Syntheses, structures and photoluminescence","CrystEngComm","2012","14","8","2691","","10.1039/c2ce06511h","","","0.71073","MoKα","","0.0278","0.025","","","0.0634","0.0652","","","","","","1.039","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207618","7.7344","0.0011","9.9796","0.0014","11.6303","0.0016","88.084","0.002","78.895","0.002","70.193","0.002","828.3","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H18 Cd N3 O8 -","- C13 H18 Cd N3 O8 -","- C26 H36 Cd2 N6 O16 -","2","1","","Han, Min-Le; Wang, Jian-Ge; Ma, Lu-Fang; Guo, Hui; Wang, Li-Ya","Construction of Cd(ii) coordination polymers based on R-isophthalate (R = ‒CH3 or ‒OCH3) and flexible N-donor co-ligands: Syntheses, structures and photoluminescence","CrystEngComm","2012","14","8","2691","","10.1039/c2ce06511h","","","0.71073","MoKα","","0.0359","0.0329","","","0.0895","0.0922","","","","","","1.073","","","","has coordinates,has disorder","180407","2020-10-21","18:00:00",""
"7207619","10.3443","0.0014","10.6769","0.0014","11.0401","0.0015","81.775","0.002","66.024","0.001","70.742","0.001","1051.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 Cd N6 O6 -","- C16 H20 Cd N6 O6 -","- C32 H40 Cd2 N12 O12 -","2","1","","Han, Min-Le; Wang, Jian-Ge; Ma, Lu-Fang; Guo, Hui; Wang, Li-Ya","Construction of Cd(ii) coordination polymers based on R-isophthalate (R = ‒CH3 or ‒OCH3) and flexible N-donor co-ligands: Syntheses, structures and photoluminescence","CrystEngComm","2012","14","8","2691","","10.1039/c2ce06511h","","","0.71073","MoKα","","0.0394","0.0306","","","0.0682","0.0714","","","","","","1.034","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207620","10.2191","0.0009","11.4377","0.0011","12.0542","0.0011","70.013","0.001","65.168","0.001","68.592","0.001","1160.43","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H26 Cd N6 O6 -","- C19 H26 Cd N6 O6 -","- C38 H52 Cd2 N12 O12 -","2","1","","Han, Min-Le; Wang, Jian-Ge; Ma, Lu-Fang; Guo, Hui; Wang, Li-Ya","Construction of Cd(ii) coordination polymers based on R-isophthalate (R = ‒CH3 or ‒OCH3) and flexible N-donor co-ligands: Syntheses, structures and photoluminescence","CrystEngComm","2012","14","8","2691","","10.1039/c2ce06511h","","","0.71073","MoKα","","0.0286","0.0257","","","0.0656","0.0674","","","","","","1.057","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207621","7.9338","0.0009","9.7756","0.0011","10.6865","0.0012","87.166","0.001","77.817","0.001","70.773","0.001","764.78","0.15","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H16 Cd N3 O6 -","- C13 H16 Cd N3 O6 -","- C26 H32 Cd2 N6 O12 -","2","1","","Han, Min-Le; Wang, Jian-Ge; Ma, Lu-Fang; Guo, Hui; Wang, Li-Ya","Construction of Cd(ii) coordination polymers based on R-isophthalate (R = ‒CH3 or ‒OCH3) and flexible N-donor co-ligands: Syntheses, structures and photoluminescence","CrystEngComm","2012","14","8","2691","","10.1039/c2ce06511h","","","0.71073","MoKα","","0.0221","0.0195","","","0.0466","0.0478","","","","","","1.056","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207622","11.995","0.005","11.236","0.005","10.403","0.005","90","","99.09","0.007","90","","1384.5","1.1","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N O5 S -","- C14 H15 N O5 S -","- C56 H60 N4 O20 S4 -","4","1","","Martins, D.; Sanselme, M.; Houssin, O.; Dupray, V.; Petit, M. N.; Pasquier, D.; Diolez, C.; Coquerel, G.","Physical transformations of the active pharmaceutical ingredient BN83495: enantiotropic and monotropic relationships. Access to several polymorphic forms by using various solvation‒desolvation processes","CrystEngComm","2012","14","7","2507","","10.1039/c2ce06537a","","x-ray","0.71073","MoKα","","0.0517","0.0394","","","0.1009","0.1078","","","","","","1.067","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207623","11.3275","0.0012","20.489","0.002","7.8699","0.0008","90","","131.549","0.001","90","","1366.9","0.2","293","2","293","2","","","","","","","synthesis as described","5","C 1 c 1","C -2yc","9","","","","- C14 H15 N O5 S -","- C14 H15 N O5 S -","- C56 H60 N4 O20 S4 -","4","1","","Martins, D.; Sanselme, M.; Houssin, O.; Dupray, V.; Petit, M. N.; Pasquier, D.; Diolez, C.; Coquerel, G.","Physical transformations of the active pharmaceutical ingredient BN83495: enantiotropic and monotropic relationships. Access to several polymorphic forms by using various solvation‒desolvation processes","CrystEngComm","2012","14","7","2507","","10.1039/c2ce06537a","","x-ray","0.71073","MoKα","","0.0341","0.0326","","","0.0837","0.0851","","","","","","1.063","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207624","9.016","0.004","9.765","0.005","10.068","0.005","67.731","0.009","78.939","0.008","86.504","0.009","805","0.7","293","2","293","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C16 H19 N O6 S -","- C16 H19 N O6 S -","- C32 H38 N2 O12 S2 -","2","1","","Martins, D.; Sanselme, M.; Houssin, O.; Dupray, V.; Petit, M. N.; Pasquier, D.; Diolez, C.; Coquerel, G.","Physical transformations of the active pharmaceutical ingredient BN83495: enantiotropic and monotropic relationships. Access to several polymorphic forms by using various solvation‒desolvation processes","CrystEngComm","2012","14","7","2507","","10.1039/c2ce06537a","","x-ray","0.71073","MoKα","","0.1064","0.0549","","","0.1167","0.1296","","","","","","0.951","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207625","13.8424","0.0013","7.2425","0.0007","18.778","0.0018","90","","104.95","0.002","90","","1818.8","0.3","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 N O6 S2 -","- C16 H21 N O6 S2 -","- C64 H84 N4 O24 S8 -","4","1","","Martins, D.; Sanselme, M.; Houssin, O.; Dupray, V.; Petit, M. N.; Pasquier, D.; Diolez, C.; Coquerel, G.","Physical transformations of the active pharmaceutical ingredient BN83495: enantiotropic and monotropic relationships. Access to several polymorphic forms by using various solvation‒desolvation processes","CrystEngComm","2012","14","7","2507","","10.1039/c2ce06537a","","x-ray","0.71073","MoKα","","0.0482","0.0456","","","0.1266","0.1287","","","","","","1.124","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207626","7.865","0.0019","26.831","0.007","8.552","0.002","90","","90","","90","","1804.7","0.8","293","2","293","2","","","","","","","synthesis as described","5","P n a 21","P 2c -2n","33","","","","- C16 H21 N O6 S2 -","- C16 H21 N O6 S2 -","- C64 H84 N4 O24 S8 -","4","1","","Martins, D.; Sanselme, M.; Houssin, O.; Dupray, V.; Petit, M. N.; Pasquier, D.; Diolez, C.; Coquerel, G.","Physical transformations of the active pharmaceutical ingredient BN83495: enantiotropic and monotropic relationships. Access to several polymorphic forms by using various solvation‒desolvation processes","CrystEngComm","2012","14","7","2507","","10.1039/c2ce06537a","","x-ray","0.71073","MoKα","","0.0601","0.0393","","","0.0856","0.1045","","","","","","0.999","","","","has coordinates,has disorder","180407","2020-10-21","18:00:00",""
"7207627","28.713","0.002","9.399","0.007","16.6487","0.0012","90","","126.015","0.009","90","","3634","3","293","2","293","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H19 N O6 S2 -","- C16 H19 N O6 S2 -","- C128 H152 N8 O48 S16 -","8","1","","Martins, D.; Sanselme, M.; Houssin, O.; Dupray, V.; Petit, M. N.; Pasquier, D.; Diolez, C.; Coquerel, G.","Physical transformations of the active pharmaceutical ingredient BN83495: enantiotropic and monotropic relationships. Access to several polymorphic forms by using various solvation‒desolvation processes","CrystEngComm","2012","14","7","2507","","10.1039/c2ce06537a","","x-ray","0.71073","MoKα","","0.2781","0.1572","","","0.388","0.5387","","","","","","1.068","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207628","9.227","","9.227","","43.99","0.003","90","","90","","90","","3745.2","0.3","296","2","296","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C11 H13 Br3 N2 O7 Pb -","- C11 H13 Br3 N2 O7 Pb -","- C88 H104 Br24 N16 O56 Pb8 -","8","1","","Zhang, Kou-Lin; Chang, Yan; Zhang, Jing-Bo; Deng, Ye; Qiu, Ting-Ting; Li, Liang; Ng, Seik Weng","The cosolvent-dependent assembly of a family of three blue fluorescent lead(ii)-coordination polymers with 5-amino-2,4,6-tribromoisophthalic acid","CrystEngComm","2012","14","8","2926","","10.1039/c2ce06540a","","","0.71073","MoKα","","0.0396","0.0341","","","0.0805","0.0826","","","","","","1.069","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207629","9.0731","0.0008","6.9348","0.0006","11.9935","0.0011","90","","95.716","0.001","90","","750.88","0.12","296","2","296","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C9 H10 Br3 N O7 Pb -","- C9 H10 Br3 N O7 Pb -","- C18 H20 Br6 N2 O14 Pb2 -","2","0.5","","Zhang, Kou-Lin; Chang, Yan; Zhang, Jing-Bo; Deng, Ye; Qiu, Ting-Ting; Li, Liang; Ng, Seik Weng","The cosolvent-dependent assembly of a family of three blue fluorescent lead(ii)-coordination polymers with 5-amino-2,4,6-tribromoisophthalic acid","CrystEngComm","2012","14","8","2926","","10.1039/c2ce06540a","","","0.71073","MoKα","","0.028","0.0242","","","0.0586","0.0602","","","","","","1.079","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207630","7.5364","0.0006","9.2515","0.0007","12.6753","0.0009","70.76","0.001","73.909","0.001","66.4","0.001","753.76","0.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H10 Br3 N O8 Pb -","- C8 H10 Br3 N O8 Pb -","- C16 H20 Br6 N2 O16 Pb2 -","2","1","","Zhang, Kou-Lin; Chang, Yan; Zhang, Jing-Bo; Deng, Ye; Qiu, Ting-Ting; Li, Liang; Ng, Seik Weng","The cosolvent-dependent assembly of a family of three blue fluorescent lead(ii)-coordination polymers with 5-amino-2,4,6-tribromoisophthalic acid","CrystEngComm","2012","14","8","2926","","10.1039/c2ce06540a","","","0.71073","MoKα","","0.0511","0.0467","","","0.1223","0.1355","","","","","","1.042","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207631","19.45","0.003","20.139","0.005","8.06","0.002","90","","110.07","0.03","90","","2965.4","1.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","aqua-4,4'-bipyridine-dilead(II) tetrabutyrate","aqua-4,4'-bipyridine-dilead(II) tetrabutyrate","","- C26 H38 N2 O9 Pb2 -","- C26 H36 N2 O9 Pb2 -","- C104 H144 N8 O36 Pb8 -","4","0.5","","Martínez Casado, Francisco Javier; Cañadillas-Delgado, Laura; Cucinotta, Fabio; Guerrero-Martínez, Andrés; Ramos Riesco, Miguel; Marchese, Leonardo; Rodríguez Cheda, José Antonio","Luminescent lead(ii) complexes: new three-dimensional mixed ligand MOFs","CrystEngComm","2012","14","8","2660","","10.1039/c2ce06546k","","","0.7379","Synchrotron","","0.0538","0.0518","","","0.1435","0.1461","","","","","","1.107","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207632","18.479","0.004","22.36","0.005","8.248","0.0016","90","","100.64","0.03","90","","3349.4","1.3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","aqua-1,2-bis(4-pyridyl)ethene-dilead(II) tetrabutyrate","aqua-1,2-bis(4-pyridyl)ethene-dilead(II) tetrabutyrate","","- C28 H40 N2 O9 Pb2 -","- C28 H38 N2 O9 Pb2 -","- C112 H152 N8 O36 Pb8 -","4","0.5","","Martínez Casado, Francisco Javier; Cañadillas-Delgado, Laura; Cucinotta, Fabio; Guerrero-Martínez, Andrés; Ramos Riesco, Miguel; Marchese, Leonardo; Rodríguez Cheda, José Antonio","Luminescent lead(ii) complexes: new three-dimensional mixed ligand MOFs","CrystEngComm","2012","14","8","2660","","10.1039/c2ce06546k","","","0.7379","Synchrotron","","0.0325","0.0309","","","0.0835","0.0851","","","","","","1.075","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207633","18.037","0.004","22.43","0.005","8.139","0.0016","90","","100.63","0.03","90","","3236.3","1.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","aqua-1,2-bis(4-pyridyl)ethene-dilead(II) tetrabutyrate","aqua-1,2-bis(4-pyridyl)ethene-dilead(II) tetrabutyrate","","- C28 H40 N2 O9 Pb2 -","- C28 H38 N2 O9 Pb2 -","- C112 H152 N8 O36 Pb8 -","4","0.5","","Martínez Casado, Francisco Javier; Cañadillas-Delgado, Laura; Cucinotta, Fabio; Guerrero-Martínez, Andrés; Ramos Riesco, Miguel; Marchese, Leonardo; Rodríguez Cheda, José Antonio","Luminescent lead(ii) complexes: new three-dimensional mixed ligand MOFs","CrystEngComm","2012","14","8","2660","","10.1039/c2ce06546k","","","0.7379","Synchrotron","","0.0514","0.0498","","","0.1322","0.1346","","","","","","1.04","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207634","20.3","0.004","20.143","0.004","8.147","0.0016","90","","109.71","0.03","90","","3136.2","1.2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","aqua-4,4'-bipyridine-dilead(II) tetrabutyrate","aqua-4,4'-bipyridine-dilead(II) tetrabutyrate","","- C26 H38 N2 O9 Pb2 -","- C26 H36 N2 O9 Pb2 -","- C104 H144 N8 O36 Pb8 -","4","0.5","","Martínez Casado, Francisco Javier; Cañadillas-Delgado, Laura; Cucinotta, Fabio; Guerrero-Martínez, Andrés; Ramos Riesco, Miguel; Marchese, Leonardo; Rodríguez Cheda, José Antonio","Luminescent lead(ii) complexes: new three-dimensional mixed ligand MOFs","CrystEngComm","2012","14","8","2660","","10.1039/c2ce06546k","","","0.7379","Synchrotron","","0.0382","0.0376","","","0.0938","0.0946","","","","","","1.072","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207635","9.4455","0.0003","7.8767","0.0002","17.2532","0.0005","90","","98.352","0.002","90","","1270.01","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","tadalafil methylparaben","","","- C30 H27 N3 O7 -","- C30 H27 N3 O7 -","- C60 H54 N6 O14 -","2","1","","Weyna, David R.; Cheney, Miranda L.; Shan, Ning; Hanna, Mazen; Wojtas, Łukasz; Zaworotko, Michael J.","Crystal engineering of multiple-component organic solids: Pharmaceutical cocrystals of tadalafil with persistent hydrogen bonding motifs","CrystEngComm","2012","14","7","2377","","10.1039/c2ce06574f","","","1.54178","CuKα","","0.0393","0.0349","","","0.0864","0.0888","","","","","","1.034","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207636","9.3357","0.0002","8.3056","0.0002","17.3542","0.0005","90","","90.854","0.002","90","","1345.47","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","tadalafil propylparaben","","","- C32 H31 N3 O7 -","- C32 H31 N3 O7 -","- C64 H62 N6 O14 -","2","1","","Weyna, David R.; Cheney, Miranda L.; Shan, Ning; Hanna, Mazen; Wojtas, Łukasz; Zaworotko, Michael J.","Crystal engineering of multiple-component organic solids: Pharmaceutical cocrystals of tadalafil with persistent hydrogen bonding motifs","CrystEngComm","2012","14","7","2377","","10.1039/c2ce06574f","","","1.54178","CuKα","","0.0478","0.041","","","0.0963","0.1002","","","","","","1.035","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207637","9.5476","0.0012","8.1881","0.001","16.673","0.002","90","","96.305","0.009","90","","1295.6","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","tadalafil hydrocinnamic acid","","","- C31 H29 N3 O6 -","- C31 H29 N3 O6 -","- C62 H58 N6 O12 -","2","1","","Weyna, David R.; Cheney, Miranda L.; Shan, Ning; Hanna, Mazen; Wojtas, Łukasz; Zaworotko, Michael J.","Crystal engineering of multiple-component organic solids: Pharmaceutical cocrystals of tadalafil with persistent hydrogen bonding motifs","CrystEngComm","2012","14","7","2377","","10.1039/c2ce06574f","","","1.54178","CuKα","","0.0514","0.042","","","0.0957","0.1007","","","","","","0.98","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207638","24.189","0.003","9.4989","0.001","17.9964","0.0019","90","","126.011","0.001","90","","3344.8","0.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H15 N2 O5 Zn -","- C18 H15 N2 O5 Zn -","- C144 H120 N16 O40 Zn8 -","8","1","","Qin, Jian-Hua; Ma, Lu-Fang; Hu, Yue; Wang, Li-Ya","Syntheses, structures and photoluminescence of five zinc(ii) coordination polymers based on 5-methoxyisophthalate and flexible N-donor ancillary ligands","CrystEngComm","2012","14","8","2891","","10.1039/c2ce06581a","","","0.71073","MoKα","","0.0349","0.0261","","","0.0608","0.0651","","","","","","1.041","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207639","8.6436","0.0016","14.894","0.003","17.462","0.003","90","","90","","90","","2248","0.7","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H24 N4 O5 Zn -","- C21 H24 N4 O5 Zn -","- C84 H96 N16 O20 Zn4 -","4","1","","Qin, Jian-Hua; Ma, Lu-Fang; Hu, Yue; Wang, Li-Ya","Syntheses, structures and photoluminescence of five zinc(ii) coordination polymers based on 5-methoxyisophthalate and flexible N-donor ancillary ligands","CrystEngComm","2012","14","8","2891","","10.1039/c2ce06581a","","","0.71073","MoKα","","0.0785","0.0441","","","0.0906","0.1064","","","","","","1.043","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207640","8.3071","0.001","8.3924","0.0011","10.1349","0.0013","99.445","0.001","101.382","0.001","106.488","0.001","645.73","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H11 N2 O5 Zn -","- C13 H11 N2 O5 Zn -","- C26 H22 N4 O10 Zn2 -","2","1","","Qin, Jian-Hua; Ma, Lu-Fang; Hu, Yue; Wang, Li-Ya","Syntheses, structures and photoluminescence of five zinc(ii) coordination polymers based on 5-methoxyisophthalate and flexible N-donor ancillary ligands","CrystEngComm","2012","14","8","2891","","10.1039/c2ce06581a","","","0.71073","MoKα","","0.0266","0.0235","","","0.0564","0.0578","","","","","","1.05","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207641","10.132","0.0017","10.4262","0.0017","11.8021","0.0019","72.703","0.002","82.516","0.002","64.173","0.002","1071.5","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H38 N12 O11 Zn2 -","- C42 H38 N12 O11 Zn2 -","- C42 H38 N12 O11 Zn2 -","1","0.5","","Qin, Jian-Hua; Ma, Lu-Fang; Hu, Yue; Wang, Li-Ya","Syntheses, structures and photoluminescence of five zinc(ii) coordination polymers based on 5-methoxyisophthalate and flexible N-donor ancillary ligands","CrystEngComm","2012","14","8","2891","","10.1039/c2ce06581a","","","0.71073","MoKα","","0.0603","0.0442","","","0.1136","0.1229","","","","","","1.07","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207642","10.203","0.005","14.382","0.008","14.783","0.008","89.622","0.007","77.435","0.007","87.157","0.007","2114.7","1.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H40 N8 O10 Zn2 -","- C46 H40 N8 O10 Zn2 -","- C92 H80 N16 O20 Zn4 -","2","1","","Qin, Jian-Hua; Ma, Lu-Fang; Hu, Yue; Wang, Li-Ya","Syntheses, structures and photoluminescence of five zinc(ii) coordination polymers based on 5-methoxyisophthalate and flexible N-donor ancillary ligands","CrystEngComm","2012","14","8","2891","","10.1039/c2ce06581a","","","0.71073","MoKα","","0.1845","0.1035","","","0.2352","0.2821","","","","","","1.013","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207643","8.0419","0.0003","8.3021","0.0004","14.7143","0.0007","92.045","0.004","97.07","0.003","95.305","0.003","969.65","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H14 Ag4 N6 O9 -","- C14 H14 Ag4 N6 O9 -","- C28 H28 Ag8 N12 O18 -","2","1","","Yeşilel, Okan Zafer; Günay, Güneş; Darcan, Cihan; Soylu, Mustafa Serkan; Keskin, Seda; Ng, Seik Weng","An unusual 3D metal‒organic framework, {[Ag4(μ4-pzdc)2(μ-en)2]·H2O}n: C‒H⋯Ag, N‒H⋯Ag and (O‒H)⋯Ag interactions and an unprecedented coordination mode for pyrazine-2,3-dicarboxylate","CrystEngComm","2012","14","8","2817","","10.1039/c2ce06603c","","","0.71073","MoKα","","0.0286","0.0251","","","0.0753","0.0782","","","","","","1.126","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207644","23.9938","0.0005","7.2021","0.0002","14.5155","0.0003","90","","90","","90","","2508.36","0.1","296","2","296","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C10 H30 Cu N26 O2 -","- C10 H30 Cu N26 O2 -","- C40 H120 Cu4 N104 O8 -","4","0.5","","Lin, Jiao-Min; Qiu, Yan-Xuan; Chen, Wen-Bin; Yang, Meng; Zhou, Ai-Ju; Dong, Wen; Tian, Chang-En","Unusual π−‒π− stacking interactions between 5,5′-azotetrazolate(AT) anions in six AT based 3d metal photochromic complexes","CrystEngComm","2012","14","8","2779","","10.1039/c2ce06606h","","","0.71073","MoKα","","0.045","0.0317","","","0.0813","0.0908","","","","","","0.831","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207645","11.9182","0.0003","7.2555","0.0002","14.557","0.0004","90","","98.464","0.002","90","","1245.07","0.06","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C10 H28 N26 Ni O2 -","- C10 H28 N26 Ni O2 -","- C20 H56 N52 Ni2 O4 -","2","0.5","","Lin, Jiao-Min; Qiu, Yan-Xuan; Chen, Wen-Bin; Yang, Meng; Zhou, Ai-Ju; Dong, Wen; Tian, Chang-En","Unusual π−‒π− stacking interactions between 5,5′-azotetrazolate(AT) anions in six AT based 3d metal photochromic complexes","CrystEngComm","2012","14","8","2779","","10.1039/c2ce06606h","","","0.71073","MoKα","","0.0348","0.0302","","","0.0802","0.0832","","","","","","1.074","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207646","7.9461","0.0006","8.2084","0.0006","12.887","0.001","77.665","0.005","74.131","0.004","71.317","0.004","758.55","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H18 Cu N14 O2 -","- C6 H18 Cu N14 O2 -","- C12 H36 Cu2 N28 O4 -","2","1","","Lin, Jiao-Min; Qiu, Yan-Xuan; Chen, Wen-Bin; Yang, Meng; Zhou, Ai-Ju; Dong, Wen; Tian, Chang-En","Unusual π−‒π− stacking interactions between 5,5′-azotetrazolate(AT) anions in six AT based 3d metal photochromic complexes","CrystEngComm","2012","14","8","2779","","10.1039/c2ce06606h","","","0.71073","MoKα","","0.0625","0.0447","","","0.1302","0.1416","","","","","","1.078","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207647","7.0326","0.0002","8.4673","0.0003","12.2837","0.0004","103.133","0.001","98.02","0.001","105.275","0.001","671.51","0.04","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H16 Cu N14 -","- C6 H16 Cu N14 -","- C12 H32 Cu2 N28 -","2","1","","Lin, Jiao-Min; Qiu, Yan-Xuan; Chen, Wen-Bin; Yang, Meng; Zhou, Ai-Ju; Dong, Wen; Tian, Chang-En","Unusual π−‒π− stacking interactions between 5,5′-azotetrazolate(AT) anions in six AT based 3d metal photochromic complexes","CrystEngComm","2012","14","8","2779","","10.1039/c2ce06606h","","","0.71073","MoKα","","0.0359","0.0304","","","0.0986","0.1031","","","","","","1.108","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207648","9.6939","0.001","14.8594","0.0015","16.3712","0.0016","106.433","0.005","105.99","0.005","102.997","0.004","2053.7","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H54 Co2 N42 O3 -","- C18 H54 Co2 N42 O3 -","- C36 H108 Co4 N84 O6 -","2","1","","Lin, Jiao-Min; Qiu, Yan-Xuan; Chen, Wen-Bin; Yang, Meng; Zhou, Ai-Ju; Dong, Wen; Tian, Chang-En","Unusual π−‒π− stacking interactions between 5,5′-azotetrazolate(AT) anions in six AT based 3d metal photochromic complexes","CrystEngComm","2012","14","8","2779","","10.1039/c2ce06606h","","","0.71073","MoKα","","0.0326","0.0273","","","0.072","0.0759","","","","","","1.037","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207649","6.2611","0.0013","6.4887","0.0013","12.483","0.003","90","","90","","90","","507.14","0.19","293","2","293","2","","","","","","","","5","P m c 21","P 2c -2","26","","","","- C7 H12 Ag N5 S -","- C7 H12 Ag N5 S -","- C14 H24 Ag2 N10 S2 -","2","0.5","","Li, Jianghua; Meng, Suci; Zhang, Jinfang; Song, Yinglin; Huang, Zhipeng; Zhao, Huajian; Wei, Hongyang; Huang, Wenjiang; Cifuentes, Marie P.; Humphrey, Mark G.; Zhang, Chi","Solvent-induced syntheses of 2D/3D [AgSCN]n-based supramolecular isomers with unusual topologies: structural, theoretical and nonlinear optical studies","CrystEngComm","2012","14","8","2787","","10.1039/c2ce06610f","","","0.71073","MoKα","","0.019","0.019","","","0.0534","0.0534","","","","","","1.139","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207650","10.505","0.002","7.7023","0.0015","16.84","0.003","90","","95","0.03","90","","1357.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 Ag2 N6 S2 -","- C8 H12 Ag2 N6 S2 -","- C32 H48 Ag8 N24 S8 -","4","1","","Li, Jianghua; Meng, Suci; Zhang, Jinfang; Song, Yinglin; Huang, Zhipeng; Zhao, Huajian; Wei, Hongyang; Huang, Wenjiang; Cifuentes, Marie P.; Humphrey, Mark G.; Zhang, Chi","Solvent-induced syntheses of 2D/3D [AgSCN]n-based supramolecular isomers with unusual topologies: structural, theoretical and nonlinear optical studies","CrystEngComm","2012","14","8","2787","","10.1039/c2ce06610f","","","0.71073","MoKα","","0.0253","0.0241","","","0.0681","0.069","","","","","","1.149","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207651","6.3439","0.0013","14.097","0.003","7.3832","0.0015","90","","97.69","0.03","90","","654.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C4 H6 Ag N3 S -","- C4 H6 Ag N3 S -","- C16 H24 Ag4 N12 S4 -","4","1","","Li, Jianghua; Meng, Suci; Zhang, Jinfang; Song, Yinglin; Huang, Zhipeng; Zhao, Huajian; Wei, Hongyang; Huang, Wenjiang; Cifuentes, Marie P.; Humphrey, Mark G.; Zhang, Chi","Solvent-induced syntheses of 2D/3D [AgSCN]n-based supramolecular isomers with unusual topologies: structural, theoretical and nonlinear optical studies","CrystEngComm","2012","14","8","2787","","10.1039/c2ce06610f","","","0.71073","MoKα","","0.0222","0.0212","","","0.0544","0.055","","","","","","1.116","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207652","45.797","0.002","5.4342","0.0003","17.5936","0.0009","90","","102.16","0.003","90","","4280.3","0.4","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H25 K N2 O8 S -","- C17 H25 K N2 O8 S -","- C136 H200 K8 N16 O64 S8 -","8","1","","Ong, Winston; Cheung, Eugene Y.; Schultz, Karen A.; Smith, Cartney; Bourassa, James; Hickey, Magali B.","Sodium and potassium salts of bumetanide trihydrate: Impact of counterion on structure, aqueous solubility and dehydration kinetics","CrystEngComm","2012","14","7","2428","","10.1039/c2ce06631a","","","0.71073","MoKα","","0.0477","0.036","","0.0788","0.0697","0.0788","","","","","","1.0355","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207653","11.7361","0.0006","11.1568","0.0009","10.1886","0.0006","90","","110.205","0.006","90","","1251.97","0.15","173","2","173","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","pentobarbital, nembutal","5-ethyl,5-(1-methylbutyl)barbituric acid","","- C11 H18 N2 O3 -","- C11 H18 N2 O3 -","- C44 H72 N8 O12 -","4","1","","Rossi, Denise; Gelbrich, Thomas; Kahlenberg, Volker; Griesser, Ulrich J.","Supramolecular constructs and thermodynamic stability of four polymorphs and a co-crystal of pentobarbital (nembutal)","CrystEngComm","2012","14","7","2494","","10.1039/c2ce06659a","","","1.5418","CuKα","","0.1233","0.088","","","0.1612","0.174","","","","","","1.056","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207654","16.7545","0.0015","9.866","0.0008","7.1799","0.0005","90","","90","","90","","1186.84","0.17","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","pentobarbital, nembutal","5-ethyl,5-(1-methylbutyl)barbituric acid","","- C11 H18 N2 O3 -","- C11 H18 N2 O3 -","- C44 H72 N8 O12 -","4","1","","Rossi, Denise; Gelbrich, Thomas; Kahlenberg, Volker; Griesser, Ulrich J.","Supramolecular constructs and thermodynamic stability of four polymorphs and a co-crystal of pentobarbital (nembutal)","CrystEngComm","2012","14","7","2494","","10.1039/c2ce06659a","","","0.71073","MoKα","","0.078","0.0563","","","0.1149","0.1243","","","","","","1.05","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207655","14.5136","0.001","6.8344","0.0003","12.4979","0.0006","90","","104.762","0.006","90","","1198.77","0.12","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","pentobarbital, nembutal","5-ethyl,5-(1-methylbutyl)barbituric acid","","- C11 H18 N2 O3 -","- C11 H18 N2 O3 -","- C44 H72 N8 O12 -","4","1","","Rossi, Denise; Gelbrich, Thomas; Kahlenberg, Volker; Griesser, Ulrich J.","Supramolecular constructs and thermodynamic stability of four polymorphs and a co-crystal of pentobarbital (nembutal)","CrystEngComm","2012","14","7","2494","","10.1039/c2ce06659a","","","1.5418","CuKα","","0.1035","0.064","","","0.126","0.1332","","","","","","1.106","","","","has coordinates,has disorder","180407","2020-10-21","18:00:00",""
"7207656","12.6733","0.0011","20.6887","0.0019","10.2529","0.0007","90","","118.458","0.009","90","","2363.4","0.4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","co-crystal phenobarbital + nembutal","","","- C23 H30 N4 O6 -","- C23 H24.94 N4 O6 -","- C92 H99.76 N16 O24 -","4","0.5","","Rossi, Denise; Gelbrich, Thomas; Kahlenberg, Volker; Griesser, Ulrich J.","Supramolecular constructs and thermodynamic stability of four polymorphs and a co-crystal of pentobarbital (nembutal)","CrystEngComm","2012","14","7","2494","","10.1039/c2ce06659a","","","1.5418","CuKα","","0.1182","0.1026","","","0.1762","0.1813","","","","","","1.092","","","","has coordinates,has disorder","180407","2020-10-21","18:00:00",""
"7207657","11.8675","0.001","21.824","0.003","10.2201","0.0009","90","","110.476","0.009","90","","2479.7","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","nembutal, pentobarbital","","","- C11 H18 N2 O3 -","- C11 H18 N2 O3 -","- C88 H144 N16 O24 -","8","2","","Rossi, Denise; Gelbrich, Thomas; Kahlenberg, Volker; Griesser, Ulrich J.","Supramolecular constructs and thermodynamic stability of four polymorphs and a co-crystal of pentobarbital (nembutal)","CrystEngComm","2012","14","7","2494","","10.1039/c2ce06659a","","","1.5418","CuKα","","0.1538","0.0874","","","0.1315","0.1469","","","","","","1.078","","","","has coordinates,has disorder","180407","2020-10-21","18:00:00",""
"7207658","14.583","0.002","27.006","0.004","23.412","0.004","90","","107.795","0.01","90","","8779","2","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C92 H128 O15 -","- C92 H128 O15 -","- C368 H512 O60 -","4","1","","Gattuso, Giuseppe; Notti, Anna; Pappalardo, Sebastiano; Parisi, Melchiorre F.; Pilati, Tullio; Terraneo, Giancarlo","Picturing the induced fit of calix[5]arenes upon n-alkylammonium cation binding","CrystEngComm","2012","14","8","2621","","10.1039/c2ce06719f","","","0.71073","MoKα","","0.0731","0.0414","","","0.0973","0.107","","","","","","0.958","","","","has coordinates,has disorder","180407","2020-10-21","18:00:00",""
"7207659","14.553","0.004","21.508","0.003","31.576","0.008","91.43","0.02","100.11","0.02","90.91","0.02","9725","4","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C89 H132 I3 N O15 -","- C89 H132 I3.00015 N O15 -","- C356 H528 I12.0006 N4 O60 -","4","2","","Gattuso, Giuseppe; Notti, Anna; Pappalardo, Sebastiano; Parisi, Melchiorre F.; Pilati, Tullio; Terraneo, Giancarlo","Picturing the induced fit of calix[5]arenes upon n-alkylammonium cation binding","CrystEngComm","2012","14","8","2621","","10.1039/c2ce06719f","","","0.71073","MoKα","","0.0985","0.0527","","","0.1249","0.1482","","","","","","1.009","","","","has coordinates,has disorder","180407","2020-10-21","18:00:00",""
"7207660","8.1283","0.0005","13.8659","0.0007","14.9447","0.0008","90","","97.473","0.003","90","","1670.05","0.16","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Caffeine:2-iodo-4nitroaniline","","","- C14 H15 I N6 O4 -","- C14 H15 I N6 O4 -","- C56 H60 I4 N24 O16 -","4","1","","Ghosh, Soumyajit; Malla Reddy, C.","Co-crystals of caffeine with substituted nitroanilines and nitrobenzoic acids: Structure‒mechanical property and thermal studies","CrystEngComm","2012","14","7","2444","","10.1039/c2ce06754d","","","0.71073","MoKα","","0.0608","0.0443","","","0.1015","0.1111","","","","","","1.208","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207661","8.0323","0.0005","13.7265","0.0008","15.3774","0.0009","90","","93.548","0.001","90","","1692.19","0.18","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Caffeine:4-iodo-3nitroaniline","","","- C14 H15 I N6 O4 -","- C14 H15 I N6 O4 -","- C56 H60 I4 N24 O16 -","4","1","","Ghosh, Soumyajit; Malla Reddy, C.","Co-crystals of caffeine with substituted nitroanilines and nitrobenzoic acids: Structure‒mechanical property and thermal studies","CrystEngComm","2012","14","7","2444","","10.1039/c2ce06754d","","","0.71073","MoKα","","0.0312","0.0256","","","0.0649","0.0687","","","","","","1.073","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207662","7.795","0.0006","13.5627","0.0009","14.992","0.001","90","","95.657","0.001","90","","1577.25","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Caffeine:4-chloro-3nitroaniline","","","- C14 H15 Cl N6 O4 -","- C14 H15 Cl N6 O4 -","- C56 H60 Cl4 N24 O16 -","4","1","","Ghosh, Soumyajit; Malla Reddy, C.","Co-crystals of caffeine with substituted nitroanilines and nitrobenzoic acids: Structure‒mechanical property and thermal studies","CrystEngComm","2012","14","7","2444","","10.1039/c2ce06754d","","","0.71073","MoKα","","0.0355","0.033","","","0.0936","0.0969","","","","","","1.035","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207663","15.8624","0.0019","13.5643","0.0015","7.336","0.0009","90","","90","","90","","1578.4","0.3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","Caffeine:4-fluoro-3nitroaniline","","","- C14 H15 F N6 O4 -","- C14 H15 F N6 O4 -","- C56 H60 F4 N24 O16 -","4","1","","Ghosh, Soumyajit; Malla Reddy, C.","Co-crystals of caffeine with substituted nitroanilines and nitrobenzoic acids: Structure‒mechanical property and thermal studies","CrystEngComm","2012","14","7","2444","","10.1039/c2ce06754d","","","0.71073","MoKα","","0.0568","0.0429","","","0.1106","0.1212","","","","","","1.08","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207664","13.585","0.0006","13.9085","0.0006","17.5266","0.0008","90","","104.892","0.001","90","","3200.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Caffeine:2-chloro-5nitroaniline","","","- C14 H15 Cl N6 O4 -","- C14 H15 Cl N6 O4 -","- C112 H120 Cl8 N48 O32 -","8","2","","Ghosh, Soumyajit; Malla Reddy, C.","Co-crystals of caffeine with substituted nitroanilines and nitrobenzoic acids: Structure‒mechanical property and thermal studies","CrystEngComm","2012","14","7","2444","","10.1039/c2ce06754d","","","0.71073","MoKα","","0.0335","0.0298","","","0.0805","0.0834","","","","","","1.067","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207665","10.5157","0.0007","10.7574","0.0007","13.6464","0.001","90","","100.179","0.001","90","","1519.41","0.18","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Caffeine:4nitroaniline","","","- C14 H16 N6 O4 -","- C14 H16 N6 O4 -","- C56 H64 N24 O16 -","4","1","","Ghosh, Soumyajit; Malla Reddy, C.","Co-crystals of caffeine with substituted nitroanilines and nitrobenzoic acids: Structure‒mechanical property and thermal studies","CrystEngComm","2012","14","7","2444","","10.1039/c2ce06754d","","","0.71073","MoKα","","0.0474","0.0401","","","0.1192","0.1286","","","","","","1.054","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207666","8.5624","0.0004","11.8197","0.0006","18.7587","0.001","88.269","0.001","77.089","0.001","72.212","0.001","1760.53","0.15","296","2","296","2","","","","","","","","4","P -1","-P 1","2","Caffeine:2,4dinitrobenzoicacid","","","- C15 H14 N6 O8 -","- C15 H14 N6 O8 -","- C60 H56 N24 O32 -","4","2","","Ghosh, Soumyajit; Malla Reddy, C.","Co-crystals of caffeine with substituted nitroanilines and nitrobenzoic acids: Structure‒mechanical property and thermal studies","CrystEngComm","2012","14","7","2444","","10.1039/c2ce06754d","","","0.71073","MoKα","","0.0714","0.0558","","","0.1464","0.1665","","","","","","1.03","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207667","5.8784","0.0005","33.258","0.003","8.0008","0.0007","90","","92.806","0.002","90","","1562.3","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Caffeine:2-fluoro-5nitroaniline","","","- C14 H15 F N6 O4 -","- C14 H15 F N6 O4 -","- C56 H60 F4 N24 O16 -","4","1","","Ghosh, Soumyajit; Malla Reddy, C.","Co-crystals of caffeine with substituted nitroanilines and nitrobenzoic acids: Structure‒mechanical property and thermal studies","CrystEngComm","2012","14","7","2444","","10.1039/c2ce06754d","","","0.71073","MoKα","","0.0673","0.0588","","","0.1406","0.1458","","","","","","1.134","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207668","12.5652","0.0006","8.1475","0.0004","16.5266","0.0008","90","","93.688","0.002","90","","1688.41","0.14","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Caffeine:2-fluoro-5-nitrobenzoicacid","","","- C15 H14 F N5 O6 -","- C15 H14 F N5 O6 -","- C60 H56 F4 N20 O24 -","4","1","","Ghosh, Soumyajit; Malla Reddy, C.","Co-crystals of caffeine with substituted nitroanilines and nitrobenzoic acids: Structure‒mechanical property and thermal studies","CrystEngComm","2012","14","7","2444","","10.1039/c2ce06754d","","","0.71073","MoKα","","0.0582","0.0457","","","0.1274","0.1417","","","","","","1.026","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207669","10.416","0.002","11.022","0.002","11.536","0.002","114.31","0.03","92.94","0.03","115.71","0.03","1044","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","(Co2(biphen)2(py)4).2EtOH","","","- C48 H48 Co2 N4 O6 -","- C48 H48 Co2 N4 O6 -","- C48 H48 Co2 N4 O6 -","1","0.5","","Berg, Nelly; Taylor, Stephanie M.; Prescimone, Alessandro; Brechin, Euan. K.; Jones, Leigh F.","Old dog, new tricks: 2,2′-biphenol as a bridging and book-end ligand in discrete and extended Co(ii) architectures","CrystEngComm","2012","14","8","2732","","10.1039/c2ce25047k","","","0.7107","MoKα","","0.0388","0.0347","","","0.0846","0.0875","","","","","","1.042","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207670","11.119","0.002","12.486","0.003","13.342","0.003","111.49","0.03","113.74","0.03","95.46","0.03","1512.3","0.9","150","2","150","2","","","","","","","","5","P -1","-P 1","2","?[Co2(Biphen)2(3-pic)4].2(BiphenH2)","","","- C72 H64 Co2 N4 O8 -","- C72 H64 Co2 N4 O8 -","- C72 H64 Co2 N4 O8 -","1","0.5","","Berg, Nelly; Taylor, Stephanie M.; Prescimone, Alessandro; Brechin, Euan. K.; Jones, Leigh F.","Old dog, new tricks: 2,2′-biphenol as a bridging and book-end ligand in discrete and extended Co(ii) architectures","CrystEngComm","2012","14","8","2732","","10.1039/c2ce25047k","","","0.7107","MoKα","","0.0489","0.0337","","","0.0767","0.0811","","","","","","1.018","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207671","12.7876","0.0005","19.4297","0.0007","20.1892","0.0008","90","","103.649","0.004","90","","4874.5","0.3","149.9","","149.9","","","","","","","","Leigh F. Jones","5","P 1 21/n 1","-P 2yn","14","","","","- C104 H87 Co8 N9 O18 -","- C104 H87 Co8 N9 O18 -","- C208 H174 Co16 N18 O36 -","2","0.5","","Berg, Nelly; Taylor, Stephanie M.; Prescimone, Alessandro; Brechin, Euan. K.; Jones, Leigh F.","Old dog, new tricks: 2,2′-biphenol as a bridging and book-end ligand in discrete and extended Co(ii) architectures","CrystEngComm","2012","14","8","2732","","10.1039/c2ce25047k","","","0.7107","MoKα","","0.1285","0.0698","","0.0331","0.0232","0.0232","","","","","","1.1163","","","","has coordinates,has disorder","180407","2020-10-21","18:00:00",""
"7207672","10.572","0.002","13.755","0.003","15.127","0.003","90","","94.03","0.03","90","","2194.3","0.8","150","2","150","2","","","","","","","","5","P 1 c 1","P -2yc","7","(Co(L1H)(L2)2(NO3)).(L1H2)","","","- C50 H47 Co N5 O7 -","- C50 H47 Co N5 O7 -","- C100 H94 Co2 N10 O14 -","2","1","","Berg, Nelly; Taylor, Stephanie M.; Prescimone, Alessandro; Brechin, Euan. K.; Jones, Leigh F.","Old dog, new tricks: 2,2′-biphenol as a bridging and book-end ligand in discrete and extended Co(ii) architectures","CrystEngComm","2012","14","8","2732","","10.1039/c2ce25047k","","","0.7107","MoKα","","0.1213","0.0736","","","0.1271","0.1542","","","","","","1.028","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207673","10.1508","0.0006","14.8829","0.0007","18.3001","0.0009","90","","101.469","0.005","90","","2709.5","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Co(biphenH)(t-bpe)1.5(NO3)]","","","- C60 H42 Co2 N8 O10 -","- C60 H42 Co2 N8 O10 -","- C120 H84 Co4 N16 O20 -","2","0.5","","Berg, Nelly; Taylor, Stephanie M.; Prescimone, Alessandro; Brechin, Euan. K.; Jones, Leigh F.","Old dog, new tricks: 2,2′-biphenol as a bridging and book-end ligand in discrete and extended Co(ii) architectures","CrystEngComm","2012","14","8","2732","","10.1039/c2ce25047k","","","0.7107","MoKα","","0.1204","0.0695","","","0.1676","0.2023","","","","","","1.061","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207674","7.2188","0.0014","8.5282","0.0017","13.827","0.003","90.33","0.03","101.29","0.03","107.57","0.03","793.9","0.3","110","2","110","2","","","","","","","","4","P -1","-P 1","2","MOnohydrate of caffeine-4HBA (1:1)","MOnohydrate of caffeine-4HBA (1:1)","","- C15 H18 N4 O6 -","- C15 H18 N4 O6 -","- C30 H36 N8 O12 -","2","1","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","Co-crystals of caffeine and piracetam with 4-hydroxybenzoic acid: Unravelling the hidden hydrates of 1 : 1 co-crystals","CrystEngComm","2012","14","7","2381","","10.1039/c2ce25080b","","","0.71073","MoKα","","0.0658","0.0581","","","0.13","0.1365","","","","","","1.139","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207675","6.4211","0.0013","6.6058","0.0013","16.59","0.003","96.2","0.03","96.76","0.03","90.86","0.03","694.4","0.2","110","2","110","2","","","","","","","","4","P -1","-P 1","2","Monohydrate of Piracetam-4-hydroxybenzoic acid (1:1)","Monohydrate of Piracetam-4-hydroxybenzoic acid (1:1)","","- C13 H18 N2 O6 -","- C13 H18 N2 O6 -","- C26 H36 N4 O12 -","2","1","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","Co-crystals of caffeine and piracetam with 4-hydroxybenzoic acid: Unravelling the hidden hydrates of 1 : 1 co-crystals","CrystEngComm","2012","14","7","2381","","10.1039/c2ce25080b","","","0.71073","MoKα","","0.0445","0.0425","","","0.1102","0.1119","","","","","","1.088","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7207718","6.7907","0.0003","39.3289","0.0018","15.507","0.0007","90","","97.857","0.002","90","","4102.6","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H54 Ag2 B36 Co2 N2 -","- C15 H54 Ag2 B36 Co2 N2 -","- C60 H216 Ag8 B144 Co8 N8 -","4","1","","Cunha-Silva, Luís; Hardie, Michaele J.","Exploring Ag⋯H‒B interactions in coordination polymers: silver‒alkanedinitrile networks with cobalt carbaborane anions","CrystEngComm","2012","14","10","3367","","10.1039/c2ce00003b","","","0.71073","MoKα","","0.0361","0.0273","","","0.0749","0.0868","","","","","","1.128","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207719","36.846","0.007","12.174","0.002","30.395","0.006","90","","102.93","0.03","90","","13288","5","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H90 Ag3 B54 Co3 N4 -","- C28 H90 Ag3 B54 Co3 N4 -","- C224 H720 Ag24 B432 Co24 N32 -","8","1","","Cunha-Silva, Luís; Hardie, Michaele J.","Exploring Ag⋯H‒B interactions in coordination polymers: silver‒alkanedinitrile networks with cobalt carbaborane anions","CrystEngComm","2012","14","10","3367","","10.1039/c2ce00003b","","","0.71073","MoKα","","0.0741","0.0491","","","0.1285","0.1451","","","","","","1.051","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207720","13.8493","0.0011","13.9797","0.001","15.3847","0.0012","91.493","0.006","110.928","0.007","109.633","0.007","2584","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","catena{(mu2-1,2-bis(pyridyl)-ethane)-(1,2-cyclohexanedione dioxime)- (di-formate)-cadmium(II)} dimethylformamide solvate","catena{(mu2-1,2-bis(pyridyl)-ethane)-(1,2-cyclohexanedione dioxime)- (di-formate)-cadmium(II)} dimethylformamide solvate","","- C43 H55 Cd2 N9 O13 -","- C43 H55 Cd2 N9 O13 -","- C86 H110 Cd4 N18 O26 -","2","1","","Croitor, Lilia; Coropceanu, Eduard B.; Siminel, Anatolii V.; Kulikova, Olga; Zelentsov, Vyacheslav I.; Datsko, Tatiana; Fonari, Marina S.","1,2-Cyclohexanedionedioxime as a useful co-ligand for fabrication of one-dimensional Zn(ii) and Cd(ii) coordination polymers with wheel-and-axle topology and luminescent properties","CrystEngComm","2012","14","10","3750","","10.1039/c2ce00020b","","","0.71073","MoKα","","0.0519","0.0396","","","0.0947","0.1036","","","","","","1.02","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207721","10.2012","0.0006","10.2797","0.0006","14.2612","0.0007","94.523","0.004","91.481","0.004","115.168","0.006","1346.39","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","catena{(1,2-cyclohexanedione dioxime)-bis((4-pyridylthio)acetate)- zinc(II)} dimethylformamide solvate","catena{(1,2-cyclohexanedione dioxime)-bis((4-pyridylthio)acetate)- zinc(II)} dimethylformamide solvate","","- C23 H29 N5 O7 S2 Zn -","- C23 H29 N5 O7 S2 Zn -","- C46 H58 N10 O14 S4 Zn2 -","2","1","","Croitor, Lilia; Coropceanu, Eduard B.; Siminel, Anatolii V.; Kulikova, Olga; Zelentsov, Vyacheslav I.; Datsko, Tatiana; Fonari, Marina S.","1,2-Cyclohexanedionedioxime as a useful co-ligand for fabrication of one-dimensional Zn(ii) and Cd(ii) coordination polymers with wheel-and-axle topology and luminescent properties","CrystEngComm","2012","14","10","3750","","10.1039/c2ce00020b","","","0.71073","MoKα","","0.0686","0.0435","","","0.0812","0.0913","","","","","","1.023","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207722","21.709","0.003","6.593","0.0003","15.9532","0.0019","90","","133.85","0.02","90","","1646.6","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","catena{(mu2-aqua)-bis((4-pyridylthio)acetate)-cadmium(II)}","catena{(mu2-aqua)-bis((4-pyridylthio)acetate)-cadmium(II)}","","- C14 H14 Cd N2 O5 S2 -","- C14 H14 Cd N2 O5 S2 -","- C56 H56 Cd4 N8 O20 S8 -","4","0.5","","Croitor, Lilia; Coropceanu, Eduard B.; Siminel, Anatolii V.; Kulikova, Olga; Zelentsov, Vyacheslav I.; Datsko, Tatiana; Fonari, Marina S.","1,2-Cyclohexanedionedioxime as a useful co-ligand for fabrication of one-dimensional Zn(ii) and Cd(ii) coordination polymers with wheel-and-axle topology and luminescent properties","CrystEngComm","2012","14","10","3750","","10.1039/c2ce00020b","","","0.71073","MoKα","","0.0251","0.0228","","","0.0548","0.0558","","","","","","1.096","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207723","8.4248","0.0002","23.3062","0.0005","12.1929","0.0003","90","","93.277","0.002","90","","2390.16","0.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","catena{( mu2-4,4^'^-dipyridylsulfide)-(1,2-cyclohexanedionedioxime)- ( di-acetate)-cadmium(II)}","catena{( mu2-4,4^'^-dipyridylsulfide)-(1,2-cyclohexanedionedioxime)- ( di-acetate)-cadmium(II)}","","- C20 H24 Cd N4 O6 S -","- C20 H24 Cd N4 O6 S -","- C80 H96 Cd4 N16 O24 S4 -","4","1","","Croitor, Lilia; Coropceanu, Eduard B.; Siminel, Anatolii V.; Kulikova, Olga; Zelentsov, Vyacheslav I.; Datsko, Tatiana; Fonari, Marina S.","1,2-Cyclohexanedionedioxime as a useful co-ligand for fabrication of one-dimensional Zn(ii) and Cd(ii) coordination polymers with wheel-and-axle topology and luminescent properties","CrystEngComm","2012","14","10","3750","","10.1039/c2ce00020b","","","0.71073","MoKα","","0.0493","0.0359","","","0.0852","0.0916","","","","","","1.093","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207724","10.9226","0.0003","22.3442","0.0004","17.7664","0.0004","90","","94.19","0.002","90","","4324.42","0.17","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","catena{( mu2-4,4^'^-dipyridyl sulfide)-(1,2-cyclohexanedione dioxime)- (di-formate)‒cadmium(II)}","catena{( mu2-4,4^'^-dipyridyl sulfide)-(1,2-cyclohexanedione dioxime)- (di-formate)‒cadmium(II)}","","- C18 H20 Cd N4 O6 S -","- C18 H20 Cd N4 O6 S -","- C144 H160 Cd8 N32 O48 S8 -","8","2","","Croitor, Lilia; Coropceanu, Eduard B.; Siminel, Anatolii V.; Kulikova, Olga; Zelentsov, Vyacheslav I.; Datsko, Tatiana; Fonari, Marina S.","1,2-Cyclohexanedionedioxime as a useful co-ligand for fabrication of one-dimensional Zn(ii) and Cd(ii) coordination polymers with wheel-and-axle topology and luminescent properties","CrystEngComm","2012","14","10","3750","","10.1039/c2ce00020b","","","0.71073","MoKα","","0.0652","0.0401","","","0.0848","0.0944","","","","","","1.073","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207725","8.1727","0.0002","22.8786","0.0004","12.0939","0.0002","90","","92.5","0.002","90","","2259.16","0.08","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","catena{( mu2-4,4^'^- dipyridylsulfide)-(1,2-cyclohexanedionedioxime) -(di-acetate)-zinc(II)}","catena{( mu2-4,4^'^- dipyridylsulfide)-(1,2-cyclohexanedionedioxime) -(di-acetate)-zinc(II)}","","- C20 H24 N4 O6 S Zn -","- C20 H24 N4 O6 S Zn -","- C80 H96 N16 O24 S4 Zn4 -","4","1","","Croitor, Lilia; Coropceanu, Eduard B.; Siminel, Anatolii V.; Kulikova, Olga; Zelentsov, Vyacheslav I.; Datsko, Tatiana; Fonari, Marina S.","1,2-Cyclohexanedionedioxime as a useful co-ligand for fabrication of one-dimensional Zn(ii) and Cd(ii) coordination polymers with wheel-and-axle topology and luminescent properties","CrystEngComm","2012","14","10","3750","","10.1039/c2ce00020b","","","0.71073","MoKα","","0.039","0.0299","","","0.0745","0.0794","","","","","","1.011","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207726","13.924","0.004","14.118","0.003","14.651","0.004","104.3","0.02","116.29","0.03","102.62","0.02","2317.1","1.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","catena{(mu2-1,2-bis(pyridyl)-ethane)-(1,2-cyclohexanedione dioxime)- (di-formate)-cadmium(II)}","catena{(mu2-1,2-bis(pyridyl)-ethane)-(1,2-cyclohexanedione dioxime)- (di-formate)-cadmium(II)}","","- C40 H48 Cd2 N8 O12 -","- C40 H48 Cd2 N8 O12 -","- C80 H96 Cd4 N16 O24 -","2","1","","Croitor, Lilia; Coropceanu, Eduard B.; Siminel, Anatolii V.; Kulikova, Olga; Zelentsov, Vyacheslav I.; Datsko, Tatiana; Fonari, Marina S.","1,2-Cyclohexanedionedioxime as a useful co-ligand for fabrication of one-dimensional Zn(ii) and Cd(ii) coordination polymers with wheel-and-axle topology and luminescent properties","CrystEngComm","2012","14","10","3750","","10.1039/c2ce00020b","","","0.71073","MoKα","","0.308","0.1424","","","0.204","0.2986","","","","","","1.01","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207727","7.8595","0.0007","8.8017","0.0007","9.0249","0.0008","100.43","0.007","93.113","0.007","92.86","0.007","611.96","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","4,4^'^-bipyrydine ethane bis(1,2-cyclohexanedionedioxime) clathrate","4,4^'^-bipyrydine ethane bis(1,2-cyclohexanedionedioxime) clathrate","","- C24 H32 N6 O4 -","- C24 H32 N6 O4 -","- C24 H32 N6 O4 -","1","0.5","","Croitor, Lilia; Coropceanu, Eduard B.; Siminel, Anatolii V.; Kulikova, Olga; Zelentsov, Vyacheslav I.; Datsko, Tatiana; Fonari, Marina S.","1,2-Cyclohexanedionedioxime as a useful co-ligand for fabrication of one-dimensional Zn(ii) and Cd(ii) coordination polymers with wheel-and-axle topology and luminescent properties","CrystEngComm","2012","14","10","3750","","10.1039/c2ce00020b","","","0.71073","MoKα","","0.1191","0.0581","","","0.1022","0.1271","","","","","","1.046","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207728","5.575","0.003","14.42","0.007","11.901","0.006","90","","103.109","0.008","90","","931.8","0.8","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H7 I2 N O -","- C5 H7 I2 N O -","- C20 H28 I8 N4 O4 -","4","1","","Perkins, Catherine; Libri, Stefano; Adams, Harry; Brammer, Lee","Diiodoacetylene: compact, strong ditopic halogen bond donor","CrystEngComm","2012","14","9","3033","","10.1039/c2ce00029f","","","0.71073","MoKα","","0.0408","0.0304","","","0.0785","0.0864","","","","","","1.031","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207729","4.2383","0.0006","7.3655","0.001","7.8486","0.001","113.047","0.004","99.614","0.004","93.365","0.004","220.2","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H4 I2 N2 -","- C6 H4 I2 N2 -","- C6 H4 I2 N2 -","1","0.5","","Perkins, Catherine; Libri, Stefano; Adams, Harry; Brammer, Lee","Diiodoacetylene: compact, strong ditopic halogen bond donor","CrystEngComm","2012","14","9","3033","","10.1039/c2ce00029f","","","0.71073","MoKα","","0.0408","0.0401","","","0.13","0.1307","","","","","","1.234","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207730","6.5418","0.0002","8.2834","0.0003","10.337","0.0003","90","","101.233","0.002","90","","549.41","0.03","120","","120","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C8 H12 I2 N2 -","- C8 H12 I2 N2 -","- C16 H24 I4 N4 -","2","0.5","","Perkins, Catherine; Libri, Stefano; Adams, Harry; Brammer, Lee","Diiodoacetylene: compact, strong ditopic halogen bond donor","CrystEngComm","2012","14","9","3033","","10.1039/c2ce00029f","","","0.71073","MoKα","","0.0268","0.0184","","","0.039","0.0433","","","","","","1.033","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207731","15.9274","0.0007","11.0145","0.0004","8.7574","0.0004","90","","92.8","0.002","90","","1534.5","0.11","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 I4 N4 -","- C8 H12 I4 N4 -","- C32 H48 I16 N16 -","4","1","","Perkins, Catherine; Libri, Stefano; Adams, Harry; Brammer, Lee","Diiodoacetylene: compact, strong ditopic halogen bond donor","CrystEngComm","2012","14","9","3033","","10.1039/c2ce00029f","","","0.71073","MoKα","","0.0632","0.0491","","","0.09","0.0952","","","","","","1.191","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207732","7.7843","0.0016","12.857","0.003","13.002","0.003","113.73","0.03","106.34","0.03","92.43","0.03","1125.1","0.6","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H20 N14 O14 -","- C12 H20 N14 O14 -","- C24 H40 N28 O28 -","2","1","","Millar, David I. A.; Maynard-Casely, Helen E.; Allan, David R.; Cumming, Adam S.; Lennie, Alistair R.; Mackay, Alexandra J.; Oswald, Iain D. H.; Tang, Chiu C.; Pulham, Colin R.","Crystal engineering of energetic materials: Co-crystals of CL-20","CrystEngComm","2012","14","10","3742","","10.1039/c2ce05796d","","","0.6889","Synchrotron","","0.0645","0.062","","0.1639","0.1601","0.1639","","","","","","1.025","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207733","10.3061","0.0003","10.7691","0.0003","14.5298","0.0004","73.897","0.002","89.527","0.002","85.057","0.002","1543.38","0.08","150","","150","","","","","","","","","4","P -1","-P 1","2","","2,4,6,8,10,12-hexanitrohexaazaisowurtzitane: 1,4-dioxane (1:4) Co-crystal","","- C10 H17 N6 O9.5 -","- C10 H17 N6 O9.5 -","- C40 H68 N24 O38 -","4","2","","Millar, David I. A.; Maynard-Casely, Helen E.; Allan, David R.; Cumming, Adam S.; Lennie, Alistair R.; Mackay, Alexandra J.; Oswald, Iain D. H.; Tang, Chiu C.; Pulham, Colin R.","Crystal engineering of energetic materials: Co-crystals of CL-20","CrystEngComm","2012","14","10","3742","","10.1039/c2ce05796d","","","0.71073","MoKα","","0.0738","0.071","","0.1526","0.1482","0.1526","","","","","","0.9917","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207734","15.7503","0.0009","20.5096","0.0013","23.2073","0.0013","90","","90.092","0.002","90","","7496.7","0.8","100","","100","","","","","","","","","4","C 1 c 1","C -2yc","9","","2,4,6,8,10,12-hexanitrohexaazaisowurtzitane:","","- C13.33 H15.67 N16 O18.67 -","- C13.3333 H15.6667 N16 O18.6667 -","- C160 H188 N192 O224 -","12","3","","Millar, David I. A.; Maynard-Casely, Helen E.; Allan, David R.; Cumming, Adam S.; Lennie, Alistair R.; Mackay, Alexandra J.; Oswald, Iain D. H.; Tang, Chiu C.; Pulham, Colin R.","Crystal engineering of energetic materials: Co-crystals of CL-20","CrystEngComm","2012","14","10","3742","","10.1039/c2ce05796d","","","0.71073","MoKα","","0.0627","0.0535","","0.1336","0.1264","0.1336","","","","","","0.9669","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207735","18.893","0.0003","12.07295","0.00013","21.8241","0.0004","90","","114.977","0.002","90","","4512.4","0.14","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2,4,6,8,10,12-hexanitrohexaazisowurtzitane:","","","- C24 H60 N21 O15 P3 -","- C24 H60 N21 O15 P3 -","- C96 H240 N84 O60 P12 -","4","1","","Millar, David I. A.; Maynard-Casely, Helen E.; Allan, David R.; Cumming, Adam S.; Lennie, Alistair R.; Mackay, Alexandra J.; Oswald, Iain D. H.; Tang, Chiu C.; Pulham, Colin R.","Crystal engineering of energetic materials: Co-crystals of CL-20","CrystEngComm","2012","14","10","3742","","10.1039/c2ce05796d","","","1.5418","CuKα","","0.0535","0.0456","","0.137","0.1329","0.137","","","","","","1.0187","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207736","20.059","0.003","3.685","0.0004","21.004","0.003","90","","104.424","0.015","90","","1503.6","0.4","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 O4 -","- C14 H8 O4 -","- C84 H48 O24 -","6","1.5","","Cyrański, Michał K.; Jamróz, Michał H.; Rygula, Anna; Dobrowolski, Jan Cz.; Dobrzycki, Łukasz; Baranska, Malgorzata","On two alizarin polymorphs","CrystEngComm","2012","14","10","3667","","10.1039/c2ce06063a","","","0.71073","MoKα","","0.1336","0.0696","","","0.1763","0.2013","","","","","","0.851","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207737","8.1319","0.0004","3.7102","0.0002","16.8711","0.0009","90","","100.455","0.005","90","","500.57","0.05","100","2","100","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C14 H8 O4 -","- C14 H8 O4 -","- C28 H16 O8 -","2","1","","Cyrański, Michał K.; Jamróz, Michał H.; Rygula, Anna; Dobrowolski, Jan Cz.; Dobrzycki, Łukasz; Baranska, Malgorzata","On two alizarin polymorphs","CrystEngComm","2012","14","10","3667","","10.1039/c2ce06063a","","","1.54178","CuKα","","0.06","0.0421","","","0.1026","0.1082","","","","","","0.966","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207738","33.6613","0.0018","9.1498","0.0005","13.0273","0.0007","90","","92.129","0.001","90","","4009.6","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H37 Er3 N8 O24 -","- C29 H37 Er3 N8 O24 -","- C116 H148 Er12 N32 O96 -","4","0.5","","Feng, Xun; Li, Shi-Hui; Wang, Li-Ya; Zhao, Jian-She; Shi, Zhi-Qiang; Lei, Peng-Peng","A series of lanthanide‒organic polymers incorporating ethyl-4,5-imidazole-dicarboxylato and formate coligand: structures, luminescent and magnetic properties","CrystEngComm","2012","14","10","3684","","10.1039/c2ce06151a","","","0.71073","MoKα","","0.0297","0.0273","","","0.0958","0.0978","","","","","","1","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207739","33.69","0.02","9.217","0.006","13.134","0.009","90","","92.256","0.007","90","","4075","5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H37 Ho3 N8 O24 -","- C29 H37 Ho3 N8 O24 -","- C116 H148 Ho12 N32 O96 -","4","0.5","","Feng, Xun; Li, Shi-Hui; Wang, Li-Ya; Zhao, Jian-She; Shi, Zhi-Qiang; Lei, Peng-Peng","A series of lanthanide‒organic polymers incorporating ethyl-4,5-imidazole-dicarboxylato and formate coligand: structures, luminescent and magnetic properties","CrystEngComm","2012","14","10","3684","","10.1039/c2ce06151a","","","0.71073","MoKα","","0.0308","0.0248","","","0.0547","0.0574","","","","","","1.01","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207740","33.765","0.003","9.2778","0.0009","13.2345","0.0013","90","","92.126","0.001","90","","4143.1","0.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H37 N8 O24 Sm3 -","- C29 H37 N8 O24 Sm3 -","- C116 H148 N32 O96 Sm12 -","4","0.5","","Feng, Xun; Li, Shi-Hui; Wang, Li-Ya; Zhao, Jian-She; Shi, Zhi-Qiang; Lei, Peng-Peng","A series of lanthanide‒organic polymers incorporating ethyl-4,5-imidazole-dicarboxylato and formate coligand: structures, luminescent and magnetic properties","CrystEngComm","2012","14","10","3684","","10.1039/c2ce06151a","","","0.71073","MoKα","","0.0228","0.022","","","0.0631","0.0636","","","","","","1.088","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207741","33.699","0.003","9.1979","0.0008","13.104","0.0012","90","","92.117","0.001","90","","4058.9","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H37 Dy3 N8 O24 -","- C29 H37 Dy3 N8 O24 -","- C116 H148 Dy12 N32 O96 -","4","0.5","","Feng, Xun; Li, Shi-Hui; Wang, Li-Ya; Zhao, Jian-She; Shi, Zhi-Qiang; Lei, Peng-Peng","A series of lanthanide‒organic polymers incorporating ethyl-4,5-imidazole-dicarboxylato and formate coligand: structures, luminescent and magnetic properties","CrystEngComm","2012","14","10","3684","","10.1039/c2ce06151a","","","0.71073","MoKα","","0.0249","0.0236","","","0.0688","0.0696","","","","","","1.091","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207742","12.1992","0.0003","15.719","0.0005","25.8536","0.0008","90","","90","","90","","4957.7","0.3","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C20 H22 N4 Ni2 O11 -","- C20 H27 N4 Ni2 O11 -","- C160 H216 N32 Ni16 O88 -","8","0.5","","Guo, Sheng-Qi; Tian, Dan; Zheng, Xiang; Zhang, Hong","A rare 4-connected neb topological metal‒organic framework with ferromagnetic characteristics","CrystEngComm","2012","14","9","3177","","10.1039/c2ce06202j","","","0.71073","MoKα","","0.0273","0.0255","","","0.0673","0.0678","","","","","","1.065","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207743","22.9238","0.0017","22.9238","0.0017","22.9238","0.0017","90","","90","","90","","12046.5","1.5","293","2","293","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C36 H62 Fe N3 O19 P6 -","- C36 H60 Fe N3 O19 P6 -","- C288 H480 Fe8 N24 O152 P48 -","8","0.333333","","Maxim, Catalin; Branzea, Diana; Allain, Magali; Andruh, Marius; Clérac, Rodolphe; Iorga, Bogdan I.; Avarvari, Narcis","Cyanomethylene-bis(phosphonate) as ditopical ligand: stepwise formation of a 2-D heterometallic Fe(iii)‒Ag(i) coordination network","CrystEngComm","2012","14","9","3096","","10.1039/c2ce06261e","","","0.71073","MoKα","","0.1708","0.0678","","","0.166","0.2085","","","","","","0.82","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207744","20.403","0.008","26.51","0.01","30.721","0.004","90","","99.49","0.02","90","","16389","9","150","2","150","2","","","","","","","","8","P 1 21/a 1","-P 2yab","14","MOLTECH ANJOU UMR CNRS 6200 2, bd Lavoisier 49045 Angers cedex France","MOLTECH ANJOU UMR CNRS 6200 2, bd Lavoisier 49045 Angers cedex France","","- C108 H180 Ag3 Cl3 Fe3 N9 O68 P18 -","- C108 H180 Ag3 Cl3 Fe3 N9 O68 P18 -","- C432 H720 Ag12 Cl12 Fe12 N36 O272 P72 -","4","1","","Maxim, Catalin; Branzea, Diana; Allain, Magali; Andruh, Marius; Clérac, Rodolphe; Iorga, Bogdan I.; Avarvari, Narcis","Cyanomethylene-bis(phosphonate) as ditopical ligand: stepwise formation of a 2-D heterometallic Fe(iii)‒Ag(i) coordination network","CrystEngComm","2012","14","9","3096","","10.1039/c2ce06261e","","","0.71073","MoKα","","0.3343","0.1041","","","0.1867","0.2684","","","","","","1.018","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207745","14.232","0.0015","14.6531","0.0016","15.1359","0.0018","77.195","0.002","67.084","0.001","65.102","0.001","2630.9","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H29 N6 O44 P W12 -","- C21 H29 N6 O44 P W12 -","- C42 H58 N12 O88 P2 W24 -","2","1","","Chi, Ying-Nan; Cui, Feng-Yun; Jia, Ai-Rui; Ma, Xiao-Yu; Hu, Chang-Wen","pH-Dependent syntheses of copper‒quinoxaline‒polyoxotungatate hybrids: variable role of Keggin-type polyanion in different pH conditions","CrystEngComm","2012","14","9","3183","","10.1039/c2ce06327a","","","0.71073","MoKα","","0.0738","0.0589","","","0.1591","0.1721","","","","","","1.013","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207746","20.303","0.003","20.303","0.003","53.196","0.011","90","","90","","120","","18990","6","298","2","298","2","","","","","","","","7","R -3 m :H","-R 3 2""","166","","","","- C72 H54 Cu6 N18 O80 P2 W24 -","- C72 H54 Cu6 N18 O80 P2 W24 -","- C432 H324 Cu36 N108 O480 P12 W144 -","6","0.166667","","Chi, Ying-Nan; Cui, Feng-Yun; Jia, Ai-Rui; Ma, Xiao-Yu; Hu, Chang-Wen","pH-Dependent syntheses of copper‒quinoxaline‒polyoxotungatate hybrids: variable role of Keggin-type polyanion in different pH conditions","CrystEngComm","2012","14","9","3183","","10.1039/c2ce06327a","","","0.71073","MoKα","","0.0744","0.0455","","","0.1163","0.1484","","","","","","1.134","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207747","16.9679","0.0011","18.5233","0.0012","21.4289","0.0015","90","","90","","90","","6735.1","0.8","296","2","296","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C40 H32 Cu3 N10 O41 P W12 -","- C40 H30 Cu3 N10 O41 P W12 -","- C160 H120 Cu12 N40 O164 P4 W48 -","4","0.5","","Chi, Ying-Nan; Cui, Feng-Yun; Jia, Ai-Rui; Ma, Xiao-Yu; Hu, Chang-Wen","pH-Dependent syntheses of copper‒quinoxaline‒polyoxotungatate hybrids: variable role of Keggin-type polyanion in different pH conditions","CrystEngComm","2012","14","9","3183","","10.1039/c2ce06327a","","","0.71073","MoKα","","0.0559","0.0489","","","0.1374","0.1441","","","","","","1.09","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207748","22.232","0.005","13.209","0.003","11.173","0.003","90","","108.225","0.003","90","","3116.5","1.3","93","2","93","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C32 H28 Cu5 N8 O40.5 P W11 -","- C32 H24 Cu5 N8 O40.5 P W11 -","- C64 H48 Cu10 N16 O81 P2 W22 -","2","0.25","","Chi, Ying-Nan; Cui, Feng-Yun; Jia, Ai-Rui; Ma, Xiao-Yu; Hu, Chang-Wen","pH-Dependent syntheses of copper‒quinoxaline‒polyoxotungatate hybrids: variable role of Keggin-type polyanion in different pH conditions","CrystEngComm","2012","14","9","3183","","10.1039/c2ce06327a","","","0.71073","MoKα","","0.0655","0.0581","","","0.1354","0.1394","","","","","","1.137","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207749","18.2072","0.0018","25.709","0.002","26.639","0.003","94.661","0.002","106.296","0.002","108.962","0.002","11112.9","1.9","296","2","296","2","","","","","","","","9","P -1","-P 1","2","","","","- C28 H148 As4 Ce2 Cu7.5 N28 Na O172 W44 -","- C28 H112 As4 Ce2 Cu7.5 N28 Na O172 W44 -","- C56 H224 As8 Ce4 Cu15 N56 Na2 O344 W88 -","2","1","","Shi, Dong-Ying; Zhao, Jun-Wei; Chen, Li-Juan; Ma, Peng-Tao; Wang, Jing-Ping; Niu, Jing-Yang","Four types of 1D or 2D organic‒inorganic hybrids assembled by arsenotungstates and CuII‒LnIII/IV heterometals","CrystEngComm","2012","14","9","3108","","10.1039/c2ce06354a","","","0.71073","MoKα","","0.1366","0.0684","","","0.148","0.1686","","","","","","1.015","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207750","15.9375","0.0015","18.2356","0.0017","21.056","0.0019","114.312","0.001","90.885","0.002","94.344","0.002","5553.5","0.9","296","2","296","2","","","","","","","","9","P -1","-P 1","2","","","","- C20 H110 As4 Cu5 N20 Na6 O168 Pr2 W44 -","- C20 H80 As4 Cu5 N20 Na6 O168 Pr2 W44 -","- C20 H80 As4 Cu5 N20 Na6 O168 Pr2 W44 -","1","0.5","","Shi, Dong-Ying; Zhao, Jun-Wei; Chen, Li-Juan; Ma, Peng-Tao; Wang, Jing-Ping; Niu, Jing-Yang","Four types of 1D or 2D organic–inorganic hybrids assembled by arsenotungstates and CuII–LnIII/IV heterometals","CrystEngComm","2012","14","9","3108","","10.1039/c2ce06354a","","","0.71073","MoKα","","0.111","0.0813","","","0.1978","0.2123","","","","","","1.065","","","","has coordinates","287753","2023-11-23","09:34:45",""
"7207751","15.868","0.003","18.261","0.004","20.999","0.005","114.59","0.004","91.094","0.004","94.127","0.004","5511","2","296","2","296","2","","","","","","","","9","P -1","-P 1","2","","","","- C20 H106 As4 Cu5 Eu2 N20 Na6 O166 W44 -","- C20 H80 As4 Cu5 Eu2 N20 Na6 O166 W44 -","- C20 H80 As4 Cu5 Eu2 N20 Na6 O166 W44 -","1","0.5","","Shi, Dong-Ying; Zhao, Jun-Wei; Chen, Li-Juan; Ma, Peng-Tao; Wang, Jing-Ping; Niu, Jing-Yang","Four types of 1D or 2D organic–inorganic hybrids assembled by arsenotungstates and CuII–LnIII/IV heterometals","CrystEngComm","2012","14","9","3108","","10.1039/c2ce06354a","","","0.71073","MoKα","","0.158","0.077","","","0.1549","0.1741","","","","","","1.012","","","","has coordinates","287753","2023-11-23","09:34:45",""
"7207752","16.0145","0.0019","18.212","0.002","20.934","0.002","114.347","0.002","90.846","0.002","94.085","0.002","5541.9","1","296","2","296","2","","","","","","","","9","P -1","-P 1","2","","","","- C10 H53 As2 Cu2.5 N10 Na3 O83 Tb W22 -","- C10 H40 As2 Cu2.5 N10 Na3 O83 Tb W22 -","- C20 H80 As4 Cu5 N20 Na6 O166 Tb2 W44 -","2","1","","Shi, Dong-Ying; Zhao, Jun-Wei; Chen, Li-Juan; Ma, Peng-Tao; Wang, Jing-Ping; Niu, Jing-Yang","Four types of 1D or 2D organic‒inorganic hybrids assembled by arsenotungstates and CuII‒LnIII/IV heterometals","CrystEngComm","2012","14","9","3108","","10.1039/c2ce06354a","","","0.71073","MoKα","","0.1174","0.085","","","0.2143","0.2347","","","","","","1.053","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207753","13.623","0.005","20.217","0.007","24.846","0.008","102.355","0.005","104.331","0.005","98.656","0.005","6325","4","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C33 H120 As2 Cu5.5 Dy N22 O83 W22 -","- C33 H110 As2 Cu5.5 Dy N22 O83 W22 -","- C66 H220 As4 Cu11 Dy2 N44 O166 W44 -","2","1","","Shi, Dong-Ying; Zhao, Jun-Wei; Chen, Li-Juan; Ma, Peng-Tao; Wang, Jing-Ping; Niu, Jing-Yang","Four types of 1D or 2D organic‒inorganic hybrids assembled by arsenotungstates and CuII‒LnIII/IV heterometals","CrystEngComm","2012","14","9","3108","","10.1039/c2ce06354a","","","0.71073","MoKα","","0.0642","0.0441","","","0.1084","0.1159","","","","","","1.043","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207754","16.026","0.003","18.284","0.003","21.007","0.003","114.067","0.002","90.834","0.003","94.387","0.003","5596.8","1.6","296","2","296","2","","","","","","","","9","P -1","-P 1","2","","","","- C10 H54 As2 Cu2.5 N10 Na3 Nd O83.5 W22 -","- C10 H40 As2 Cu2.5 N10 Na3 Nd O83.5 W22 -","- C20 H80 As4 Cu5 N20 Na6 Nd2 O167 W44 -","2","1","","Shi, Dong-Ying; Zhao, Jun-Wei; Chen, Li-Juan; Ma, Peng-Tao; Wang, Jing-Ping; Niu, Jing-Yang","Four types of 1D or 2D organic‒inorganic hybrids assembled by arsenotungstates and CuII‒LnIII/IV heterometals","CrystEngComm","2012","14","9","3108","","10.1039/c2ce06354a","","","0.71073","MoKα","","0.1192","0.0876","","","0.2203","0.2383","","","","","","1.014","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207755","16.039","0.004","18.277","0.005","20.982","0.005","114.244","0.004","90.779","0.004","94.123","0.004","5587","2","296","2","296","2","","","","","","","","9","P -1","-P 1","2","","","","- C10 H56 As2 Cu2.5 N10 Na3 O84.5 Sm W22 -","- C10 H40 As2 Cu2.5 N10 Na3 O84.5 Sm W22 -","- C20 H80 As4 Cu5 N20 Na6 O169 Sm2 W44 -","2","1","","Shi, Dong-Ying; Zhao, Jun-Wei; Chen, Li-Juan; Ma, Peng-Tao; Wang, Jing-Ping; Niu, Jing-Yang","Four types of 1D or 2D organic‒inorganic hybrids assembled by arsenotungstates and CuII‒LnIII/IV heterometals","CrystEngComm","2012","14","9","3108","","10.1039/c2ce06354a","","","0.71073","MoKα","","0.1003","0.0651","","","0.1565","0.1721","","","","","","1.028","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207756","16.976","0.003","37.375","0.007","19.576","0.003","90","","92.761","0.004","90","","12406","4","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C31.5 H117 As2 Cu5.5 N21 O84 Pr W22 -","- C31.5 H105 As2 Cu5.5 N21 O84 Pr W22 -","- C126 H420 As8 Cu22 N84 O336 Pr4 W88 -","4","1","","Shi, Dong-Ying; Zhao, Jun-Wei; Chen, Li-Juan; Ma, Peng-Tao; Wang, Jing-Ping; Niu, Jing-Yang","Four types of 1D or 2D organic‒inorganic hybrids assembled by arsenotungstates and CuII‒LnIII/IV heterometals","CrystEngComm","2012","14","9","3108","","10.1039/c2ce06354a","","","0.71073","MoKα","","0.0987","0.0542","","","0.0936","0.1025","","","","","","1.043","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207757","16.955","0.004","37.229","0.008","19.506","0.004","90","","92.767","0.005","90","","12298","5","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C31 H117 As2 Cu5.5 Eu N21 O84 W22 -","- C31.5 H105 As2 Cu5.5 Eu N21 O84 W22 -","- C126 H420 As8 Cu22 Eu4 N84 O336 W88 -","4","1","","Shi, Dong-Ying; Zhao, Jun-Wei; Chen, Li-Juan; Ma, Peng-Tao; Wang, Jing-Ping; Niu, Jing-Yang","Four types of 1D or 2D organic‒inorganic hybrids assembled by arsenotungstates and CuII‒LnIII/IV heterometals","CrystEngComm","2012","14","9","3108","","10.1039/c2ce06354a","","","0.71073","MoKα","","0.1094","0.0534","","","0.1082","0.1212","","","","","","1.006","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207758","13.4927","0.0008","20.0061","0.0012","24.5797","0.0014","102.318","0.001","104.73","0.001","98.677","0.001","6119.7","0.6","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C33 H122 As2 Cu5.5 N22 O84 Tb W22 -","- C33 H110 As2 Cu5.5 N22 O84 Tb W22 -","- C66 H220 As4 Cu11 N44 O168 Tb2 W44 -","2","1","","Shi, Dong-Ying; Zhao, Jun-Wei; Chen, Li-Juan; Ma, Peng-Tao; Wang, Jing-Ping; Niu, Jing-Yang","Four types of 1D or 2D organic‒inorganic hybrids assembled by arsenotungstates and CuII‒LnIII/IV heterometals","CrystEngComm","2012","14","9","3108","","10.1039/c2ce06354a","","","0.71073","MoKα","","0.0874","0.067","","","0.1629","0.1735","","","","","","1.042","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207759","30.63","0.011","5.8524","0.0019","22.101","0.008","90","","117.912","0.006","90","","3501","2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H25 N3 O6 -","- C14 H25 N3 O6 -","- C112 H200 N24 O48 -","8","1","","Maity, Suman Kumar; Maity, Sibaprasad; Jana, Poulami; Haldar, Debasish","CdS quantum dots doped with a peptide matrix: structural and photoelectrochemical properties","CrystEngComm","2012","14","9","3156","","10.1039/c2ce06355g","","","0.71073","MoKα","","0.12","0.0631","","","0.1551","0.1874","","","","","","1.003","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207760","14.2705","0.0009","13.3006","0.0008","21.2009","0.0017","90","","108.655","0.003","90","","3812.6","0.5","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H24 N2 O5 -","- C17 H24 N2 O5 -","- C136 H192 N16 O40 -","8","1","","Maity, Suman Kumar; Maity, Sibaprasad; Jana, Poulami; Haldar, Debasish","CdS quantum dots doped with a peptide matrix: structural and photoelectrochemical properties","CrystEngComm","2012","14","9","3156","","10.1039/c2ce06355g","","","0.71073","MoKα","","0.0838","0.0542","","","0.1514","0.187","","","","","","0.955","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207761","5.3951","0.0004","8.1557","0.0007","11.4412","0.0009","80.447","0.002","84.791","0.002","72.016","0.002","471.77","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H10 Cl N3 O2 -","- C8 H10 Cl N3 O2 -","- C16 H20 Cl2 N6 O4 -","2","1","","Wu, An-Kai; Lee, Kwang-Ming","Self-assembly of seven diamide-containing pyridinium salts via nonconventional C‒H⋯O hydrogen bonding catemers","CrystEngComm","2012","14","10","3424","","10.1039/c2ce06448k","","","0.71073","MoKα","","0.0268","0.0258","","","0.0679","0.0687","","","","","","1.068","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207762","10.3283","0.0008","8.1976","0.0007","12.329","0.0009","90","","114.243","0.003","90","","951.81","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H10 Br N3 O2 -","- C8 H10 Br N3 O2 -","- C32 H40 Br4 N12 O8 -","4","1","","Wu, An-Kai; Lee, Kwang-Ming","Self-assembly of seven diamide-containing pyridinium salts via nonconventional C‒H⋯O hydrogen bonding catemers","CrystEngComm","2012","14","10","3424","","10.1039/c2ce06448k","","","0.71073","MoKα","","0.0182","0.0168","","","0.0416","0.042","","","","","","1.049","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207763","11.5624","0.0004","8.3426","0.0004","12.2163","0.0005","90","","116.412","0.002","90","","1055.39","0.08","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 B F4 N3 O2 -","- C8 H10 B F4 N3 O2 -","- C32 H40 B4 F16 N12 O8 -","4","1","","Wu, An-Kai; Lee, Kwang-Ming","Self-assembly of seven diamide-containing pyridinium salts via nonconventional C‒H⋯O hydrogen bonding catemers","CrystEngComm","2012","14","10","3424","","10.1039/c2ce06448k","","","0.71073","MoKα","","0.0332","0.0309","","","0.0783","0.0805","","","","","","1.075","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207764","5.452","0.0003","6.1264","0.0003","15.5624","0.0008","99.478","0.003","92.657","0.003","99.407","0.003","504.38","0.05","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H10 N4 O5 -","- C8 H10 N4 O5 -","- C16 H20 N8 O10 -","2","1","","Wu, An-Kai; Lee, Kwang-Ming","Self-assembly of seven diamide-containing pyridinium salts via nonconventional C‒H⋯O hydrogen bonding catemers","CrystEngComm","2012","14","10","3424","","10.1039/c2ce06448k","","","0.71073","MoKα","","0.0382","0.0338","","","0.1044","0.1196","","","","","","1.93","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207765","8.4003","0.0002","8.9153","0.0002","10.3151","0.0003","101.57","0.001","103.452","0.001","111.64","0.001","662.4","0.03","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H10 F3 N3 O5 S -","- C9 H10 F3 N3 O5 S -","- C18 H20 F6 N6 O10 S2 -","2","1","","Wu, An-Kai; Lee, Kwang-Ming","Self-assembly of seven diamide-containing pyridinium salts via nonconventional C‒H⋯O hydrogen bonding catemers","CrystEngComm","2012","14","10","3424","","10.1039/c2ce06448k","","","0.71073","MoKα","","0.0358","0.0336","","","0.0832","0.0847","","","","","","1.171","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207766","13.247","0.001","11.2054","0.001","15.5055","0.0014","90","","90","","90","","2301.6","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H10 F6 N3 O2 P -","- C8 H10 F6 N3 O2 P -","- C64 H80 F48 N24 O16 P8 -","8","1","","Wu, An-Kai; Lee, Kwang-Ming","Self-assembly of seven diamide-containing pyridinium salts via nonconventional C‒H⋯O hydrogen bonding catemers","CrystEngComm","2012","14","10","3424","","10.1039/c2ce06448k","","","0.71073","MoKα","","0.0383","0.029","","","0.0714","0.0775","","","","","","1.053","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207767","9.7596","0.0003","15.686","0.0005","16.853","0.0005","90","","90","","90","","2580.01","0.14","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C32 H30 B N3 O2 -","- C32 H30 B N3 O2 -","- C128 H120 B4 N12 O8 -","4","1","","Wu, An-Kai; Lee, Kwang-Ming","Self-assembly of seven diamide-containing pyridinium salts via nonconventional C‒H⋯O hydrogen bonding catemers","CrystEngComm","2012","14","10","3424","","10.1039/c2ce06448k","","","0.71073","MoKα","","0.0425","0.0343","","","0.0862","0.1102","","","","","","1.153","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207768","12.458","0.004","14.423","0.004","33.063","0.011","80.384","0.009","83.877","0.011","79.272","0.009","5737","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C192 H178 Co11 N24 O88 S24 -","- C192 H98 Co11 N24 O88 S24 -","- C192 H98 Co11 N24 O88 S24 -","1","0.5","","Shen, Chaojun; Sheng, Tianlu; Zhu, Qilong; Hu, Shengmin; Wu, Xintao","Four new cobalt(ii) coordination complexes: thermochromic switchable behavior in the process of dehydration and rehydration","CrystEngComm","2012","14","9","3189","","10.1039/c2ce06478b","","","0.71073","MoKα","","0.1194","0.087","","","0.2144","0.2466","","","","","","1.041","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207769","8.608","0.002","19.26","0.005","31.701","0.008","103.706","0.003","92.298","0.003","95.323","0.004","5074","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C192 H132 Co4 N24 O58 S24 -","- C192 H112 Co4 N24 O58 S24 -","- C192 H112 Co4 N24 O58 S24 -","1","0.5","","Shen, Chaojun; Sheng, Tianlu; Zhu, Qilong; Hu, Shengmin; Wu, Xintao","Four new cobalt(ii) coordination complexes: thermochromic switchable behavior in the process of dehydration and rehydration","CrystEngComm","2012","14","9","3189","","10.1039/c2ce06478b","","","0.71073","MoKα","","0.107","0.0673","","","0.1407","0.1677","","","","","","1.086","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207770","15.839","0.007","7.526","0.003","23.941","0.01","90","","104.584","0.007","90","","2762","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Co N4 O11 S2 -","- C24 H24 Co N4 O11 S2 -","- C96 H96 Co4 N16 O44 S8 -","4","1","","Shen, Chaojun; Sheng, Tianlu; Zhu, Qilong; Hu, Shengmin; Wu, Xintao","Four new cobalt(ii) coordination complexes: thermochromic switchable behavior in the process of dehydration and rehydration","CrystEngComm","2012","14","9","3189","","10.1039/c2ce06478b","","","0.71073","MoKα","","0.0822","0.0721","","","0.1256","0.1312","","","","","","1.03","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207771","8.119","0.003","15.259","0.005","15.648","0.005","64.632","0.007","84.144","0.012","80.083","0.011","1724.6","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H25 Co N5 O8 S3 -","- C34 H23 Co N5 O8 S3 -","- C68 H46 Co2 N10 O16 S6 -","2","1","","Shen, Chaojun; Sheng, Tianlu; Zhu, Qilong; Hu, Shengmin; Wu, Xintao","Four new cobalt(ii) coordination complexes: thermochromic switchable behavior in the process of dehydration and rehydration","CrystEngComm","2012","14","9","3189","","10.1039/c2ce06478b","","","0.71073","MoKα","","0.1001","0.0747","","","0.1767","0.1963","","","","","","1.058","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207772","12.3807","0.0011","14.6888","0.0012","21.2276","0.0018","72.558","0.002","77.155","0.001","67.911","0.001","3386.3","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H31 La6 N5 O126 P2 W22 -","- C35 H15 La6 N5 O126 P2 W22 -","- C35 H15 La6 N5 O126 P2 W22 -","1","0.5","","Wang, Ke; Zhang, Dongdi; Ma, Junchuang; Ma, Pengtao; Niu, Jingyang; Wang, Jingping","Three-dimensional lanthanide polyoxometalate organic complexes: correlation of structure with properties","CrystEngComm","2012","14","9","3205","","10.1039/c2ce06492h","","","0.71073","MoKα","","0.0618","0.0429","","","0.0972","0.1062","","","","","","1.012","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207773","12.4306","0.0009","14.7656","0.0011","21.276","0.0016","72.562","0.001","77.799","0.001","67.659","0.001","3424.9","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H39 Ce6 N5 O130 P2 W22 -","- C35 H15 Ce6 N5 O130 P2 W22 -","- C35 H15 Ce6 N5 O130 P2 W22 -","1","0.5","","Wang, Ke; Zhang, Dongdi; Ma, Junchuang; Ma, Pengtao; Niu, Jingyang; Wang, Jingping","Three-dimensional lanthanide polyoxometalate organic complexes: correlation of structure with properties","CrystEngComm","2012","14","9","3205","","10.1039/c2ce06492h","","","0.71073","MoKα","","0.0337","0.0279","","","0.0646","0.0673","","","","","","1.017","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207774","12.235","0.0019","14.546","0.002","19.853","0.003","109.711","0.002","91.443","0.002","112.699","0.002","3019.1","0.8","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H25 N5 O122 P2 Pr6 W22 -","- C35 H17 N5 O122 P2 Pr6 W22 -","- C35 H17 N5 O122 P2 Pr6 W22 -","1","0.5","","Wang, Ke; Zhang, Dongdi; Ma, Junchuang; Ma, Pengtao; Niu, Jingyang; Wang, Jingping","Three-dimensional lanthanide polyoxometalate organic complexes: correlation of structure with properties","CrystEngComm","2012","14","9","3205","","10.1039/c2ce06492h","","","0.71073","MoKα","","0.137","0.0612","","","0.1216","0.1491","","","","","","1.002","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207775","10.3672","0.0016","21.911","0.003","17.808","0.003","90","","97.316","0.002","90","","4012.3","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H50 N12 Ni O16 -","- C27 H42 N12 Ni O16 -","- C108 H168 N48 Ni4 O64 -","4","1","","Jiang, Xiang; Tao, Bo; Xia, Hua; Liao, Gui-ying","Supramolecular architectures based on various macrocyclic metallic tectons with 1,3,5-triazine-2,4,6-triamine hexaacetic acid ligand","CrystEngComm","2012","14","9","3271","","10.1039/c2ce06494d","","","0.71073","MoKα","","0.0758","0.0563","","","0.1752","0.1944","","","","","","1","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207776","10.3859","0.0002","21.9719","0.0003","19.4185","0.0003","90","","114.589","0.001","90","","4029.42","0.12","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H52 N12 Ni O17 -","- C27 H42 N12 Ni O12 -","- C108 H168 N48 Ni4 O48 -","4","1","","Jiang, Xiang; Tao, Bo; Xia, Hua; Liao, Gui-ying","Supramolecular architectures based on various macrocyclic metallic tectons with 1,3,5-triazine-2,4,6-triamine hexaacetic acid ligand","CrystEngComm","2012","14","9","3271","","10.1039/c2ce06494d","","","0.71073","MoKα","","0.0498","0.0378","","","0.1004","0.1056","","","","","","1.049","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207777","10.406","0.009","23.14","0.02","16.882","0.015","90","","94.791","0.013","90","","4051","6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H46 N12 Ni O14 -","- C27 H42 N12 Ni O14 -","- C108 H168 N48 Ni4 O56 -","4","0.5","","Jiang, Xiang; Tao, Bo; Xia, Hua; Liao, Gui-ying","Supramolecular architectures based on various macrocyclic metallic tectons with 1,3,5-triazine-2,4,6-triamine hexaacetic acid ligand","CrystEngComm","2012","14","9","3271","","10.1039/c2ce06494d","","","0.71073","MoKα","","0.1676","0.1219","","","0.3225","0.355","","","","","","1.166","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207778","39.969","0.0009","10.254","0.0002","20.2422","0.0005","90","","113.171","0.001","90","","7626.9","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H50 N12 Ni O15 -","- C28 H44 N12 Ni O12 -","- C224 H352 N96 Ni8 O96 -","8","1","","Jiang, Xiang; Tao, Bo; Xia, Hua; Liao, Gui-ying","Supramolecular architectures based on various macrocyclic metallic tectons with 1,3,5-triazine-2,4,6-triamine hexaacetic acid ligand","CrystEngComm","2012","14","9","3271","","10.1039/c2ce06494d","","","0.71073","MoKα","","0.0603","0.0452","","","0.1075","0.1135","","","","","","0.991","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207779","10.4506","0.0002","23.1249","0.0005","19.9968","0.0003","90","","120.985","0.001","90","","4143.01","0.14","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H53 Cl N12 Ni O20 -","- C28 H53 Cl N12 Ni O20 -","- C112 H212 Cl4 N48 Ni4 O80 -","4","1","","Jiang, Xiang; Tao, Bo; Xia, Hua; Liao, Gui-ying","Supramolecular architectures based on various macrocyclic metallic tectons with 1,3,5-triazine-2,4,6-triamine hexaacetic acid ligand","CrystEngComm","2012","14","9","3271","","10.1039/c2ce06494d","","","0.71073","MoKα","","0.0597","0.0486","","","0.1259","0.1325","","","","","","1.067","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207780","16.958","0.003","24.82","0.015","10.321","0.002","90","","92.33","0.03","90","","4340","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H51 N12 Ni O14 S -","- C30 H43 N12 Ni O14 S -","- C120 H172 N48 Ni4 O56 S4 -","4","0.5","","Jiang, Xiang; Tao, Bo; Xia, Hua; Liao, Gui-ying","Supramolecular architectures based on various macrocyclic metallic tectons with 1,3,5-triazine-2,4,6-triamine hexaacetic acid ligand","CrystEngComm","2012","14","9","3271","","10.1039/c2ce06494d","","","0.71073","MoKα","","0.146","0.0718","","","0.1546","0.1884","","","","","","1.121","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207781","16.9154","0.0019","24.92","0.003","10.3143","0.0011","90","","92.829","0.002","90","","4342.5","0.9","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H49 N13 Ni O13 -","- C31 H49 N13 Ni O13 -","- C124 H196 N52 Ni4 O52 -","4","0.5","","Jiang, Xiang; Tao, Bo; Xia, Hua; Liao, Gui-ying","Supramolecular architectures based on various macrocyclic metallic tectons with 1,3,5-triazine-2,4,6-triamine hexaacetic acid ligand","CrystEngComm","2012","14","9","3271","","10.1039/c2ce06494d","","","0.71073","MoKα","","0.0948","0.0766","","","0.199","0.2103","","","","","","1.081","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207782","39.696","0.007","10.2615","0.0018","19.738","0.003","90","","112.413","0.002","90","","7433","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H47 Cu N12 O13.5 -","- C28 H44 Cu N12 O13.5 -","- C224 H352 Cu8 N96 O108 -","8","1","","Jiang, Xiang; Tao, Bo; Xia, Hua; Liao, Gui-ying","Supramolecular architectures based on various macrocyclic metallic tectons with 1,3,5-triazine-2,4,6-triamine hexaacetic acid ligand","CrystEngComm","2012","14","9","3271","","10.1039/c2ce06494d","","","0.71073","MoKα","","0.1168","0.0654","","","0.1755","0.2043","","","","","","1.065","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207783","17.0877","0.0019","9.2378","0.001","14.0442","0.0015","90","","111.136","0.001","90","","2067.8","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H28 Cl2 Cu N6 O8 -","- C13 H28 Cl2 Cu N6 O8 -","- C52 H112 Cl8 Cu4 N24 O32 -","4","1","","Jiang, Xiang; Tao, Bo; Xia, Hua; Liao, Gui-ying","Supramolecular architectures based on various macrocyclic metallic tectons with 1,3,5-triazine-2,4,6-triamine hexaacetic acid ligand","CrystEngComm","2012","14","9","3271","","10.1039/c2ce06494d","","","0.71073","MoKα","","0.0342","0.0282","","","0.0712","0.0742","","","","","","1.03","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207784","21.186","0.005","21.293","0.005","17.947","0.004","90","","96.459","0.018","90","","8045","3","296","2","296","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C50 H40 Cu6 I2 Mo2 N10 O2 S6 -","- C50 H40 Cu6 I2 Mo2 N10 O2 S6 -","- C200 H160 Cu24 I8 Mo8 N40 O8 S24 -","4","0.5","","Wang, Hong-Mei; Han, Yi; Niu, Yun-Yin; Zhang, Zhen-Hua; Hou, Hong-Wei; Zhu, Yu","External template-assisted self-assembly: design and synthesis of the [MoOS3Cu3]+ based supramolecular polymeric clusters","CrystEngComm","2012","14","9","3125","","10.1039/c2ce06518e","","","0.71073","MoKα","","0.1096","0.0818","","","0.2246","0.2739","","","","","","1.096","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207785","21.25","0.001","21.2819","0.0008","18.1026","0.0007","90","","96.336","0.004","90","","8136.7","0.6","291","2","291","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C62 H68 Cu6 I2 Mo2 N14 O6 S6 -","- C62 H61 Cu6 I2 Mo2 N14 O6 S6 -","- C248 H244 Cu24 I8 Mo8 N56 O24 S24 -","4","0.5","","Wang, Hong-Mei; Han, Yi; Niu, Yun-Yin; Zhang, Zhen-Hua; Hou, Hong-Wei; Zhu, Yu","External template-assisted self-assembly: design and synthesis of the [MoOS3Cu3]+ based supramolecular polymeric clusters","CrystEngComm","2012","14","9","3125","","10.1039/c2ce06518e","","","0.71073","MoKα","","0.075","0.0511","","","0.1197","0.1324","","","","","","1.048","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207786","40.592","0.008","9.7008","0.0019","24.75","0.005","90","","104.95","0.03","90","","9416","3","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H40 Cu6 Mo2 N12 O2 S8 -","- C52 H40 Cu6 Mo2 N12 O2 S8 -","- C208 H160 Cu24 Mo8 N48 O8 S32 -","4","0.5","","Wang, Hong-Mei; Han, Yi; Niu, Yun-Yin; Zhang, Zhen-Hua; Hou, Hong-Wei; Zhu, Yu","External template-assisted self-assembly: design and synthesis of the [MoOS3Cu3]+ based supramolecular polymeric clusters","CrystEngComm","2012","14","9","3125","","10.1039/c2ce06518e","","","0.71073","MoKα","","0.0946","0.0606","","","0.1363","0.1505","","","","","","1","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207787","21.263","0.002","21.287","0.0018","18.0287","0.0017","90","","96.213","0.01","90","","8112.3","1.3","291.15","","291.15","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C65 H68 Br2 Cu6 Mo2 N15 O7 S6 -","- C65 H68 Br2 Cu6 Mo2 N15 O7 S6 -","- C260 H272 Br8 Cu24 Mo8 N60 O28 S24 -","4","0.5","","Wang, Hong-Mei; Han, Yi; Niu, Yun-Yin; Zhang, Zhen-Hua; Hou, Hong-Wei; Zhu, Yu","External template-assisted self-assembly: design and synthesis of the [MoOS3Cu3]+ based supramolecular polymeric clusters","CrystEngComm","2012","14","9","3125","","10.1039/c2ce06518e","","","0.7107","MoKα","","0.0895","0.0502","","","0.1197","0.1412","","","","","","1.004","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207788","12.8267","0.0003","28.9972","0.0008","9.5316","0.0003","90","","92.186","0.002","90","","3542.59","0.17","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H17 Mn N O7 -","- C17 H17 Mn N O7 -","- C136 H136 Mn8 N8 O56 -","8","1","","Gong, Yun; Wu, Tao; Lin, JianHua","Metal‒organic frameworks based on naphthalene-1,5-diyldioxy-di-acetate: structures, topologies, photoluminescence and photocatalytic properties","CrystEngComm","2012","14","10","3727","","10.1039/c2ce06529k","","","0.71073","MoKα","","0.0491","0.0366","","","0.0995","0.1042","","","","","","0.993","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207789","11.6576","0.0003","7.9742","0.0001","15.6452","0.0003","90","","102.303","0.002","90","","1420.98","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Cd O8 -","- C14 H10 Cd O8 -","- C56 H40 Cd4 O32 -","4","1","","Gong, Yun; Wu, Tao; Lin, JianHua","Metal‒organic frameworks based on naphthalene-1,5-diyldioxy-di-acetate: structures, topologies, photoluminescence and photocatalytic properties","CrystEngComm","2012","14","10","3727","","10.1039/c2ce06529k","","","0.71073","MoKα","","0.0319","0.0277","","","0.0788","0.0798","","","","","","1.139","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207790","11.9066","0.0002","20.4425","0.0004","7.4631","0.0001","90","","98.596","0.002","90","","1796.12","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 N O7 Pb -","- C17 H17 N O7 Pb -","- C68 H68 N4 O28 Pb4 -","4","1","","Gong, Yun; Wu, Tao; Lin, JianHua","Metal‒organic frameworks based on naphthalene-1,5-diyldioxy-di-acetate: structures, topologies, photoluminescence and photocatalytic properties","CrystEngComm","2012","14","10","3727","","10.1039/c2ce06529k","","","0.71073","MoKα","","0.0323","0.0215","","","0.0388","0.0397","","","","","","0.929","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207791","25.8352","0.0009","11.4382","0.0003","7.3069","0.0003","90","","98.104","0.004","90","","2137.69","0.13","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 Cd N2 O6 -","- C26 H18 Cd N2 O6 -","- C104 H72 Cd4 N8 O24 -","4","0.5","","Gong, Yun; Wu, Tao; Lin, JianHua","Metal‒organic frameworks based on naphthalene-1,5-diyldioxy-di-acetate: structures, topologies, photoluminescence and photocatalytic properties","CrystEngComm","2012","14","10","3727","","10.1039/c2ce06529k","","","0.71073","MoKα","","0.0243","0.021","","","0.0487","0.0493","","","","","","1.03","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207792","11.7493","0.0011","12.9213","0.0013","14.2679","0.0017","107.94","0.01","97.377","0.009","97.394","0.008","2011","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C90 H66 Cd5 N4 O30 -","- C90 H66 Cd5 N4 O30 -","- C90 H66 Cd5 N4 O30 -","1","0.5","","Gong, Yun; Wu, Tao; Lin, JianHua","Metal‒organic frameworks based on naphthalene-1,5-diyldioxy-di-acetate: structures, topologies, photoluminescence and photocatalytic properties","CrystEngComm","2012","14","10","3727","","10.1039/c2ce06529k","","","0.71073","MoKα","","0.0988","0.0674","","","0.2079","0.2678","","","","","","1.085","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207793","9.1908","0.0005","11.6347","0.0006","12.4736","0.0007","100.591","0.004","111.361","0.003","101.38","0.004","1169.06","0.12","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H21 N7 O6 S -","- C22 H21 N7 O6 S -","- C44 H42 N14 O12 S2 -","2","1","","Basu, Arghya; Das, Gopal","Amidothiourea as a potential receptor for organic bases by resonance assisted low barrier hydrogen bond formation: Structure and Hirshfeld surface analysis","CrystEngComm","2012","14","9","3306","","10.1039/c2ce06541j","","","0.71073","MoKα","","0.167","0.0513","","","0.1182","0.1406","","","","","","0.842","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207794","8.335","0.0007","12.3287","0.001","25.638","0.003","90","","100.345","0.007","90","","2591.7","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H27 N9 O6 S -","- C24 H27 N9 O6 S -","- C96 H108 N36 O24 S4 -","4","1","","Basu, Arghya; Das, Gopal","Amidothiourea as a potential receptor for organic bases by resonance assisted low barrier hydrogen bond formation: Structure and Hirshfeld surface analysis","CrystEngComm","2012","14","9","3306","","10.1039/c2ce06541j","","","0.71073","MoKα","","0.1709","0.0498","","","0.0831","0.0976","","","","","","0.906","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207795","12.6988","0.0014","15.425","0.0018","14.7893","0.0018","90","","118.108","0.008","90","","2555.3","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 N6 O5 S -","- C24 H28 N6 O5 S -","- C96 H112 N24 O20 S4 -","4","1","","Basu, Arghya; Das, Gopal","Amidothiourea as a potential receptor for organic bases by resonance assisted low barrier hydrogen bond formation: Structure and Hirshfeld surface analysis","CrystEngComm","2012","14","9","3306","","10.1039/c2ce06541j","","","0.71073","MoKα","","0.2544","0.0525","","","0.1145","0.158","","","","","","0.859","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207796","12.0553","0.0003","13.5377","0.0003","13.851","0.0004","89.426","0.002","77.013","0.001","67.008","0.001","2020.06","0.09","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H39 Ag2 F6 N13 O7 S2 -","- C29 H39 Ag2 F6 N13 O7 S2 -","- C58 H78 Ag4 F12 N26 O14 S4 -","2","1","","Koskinen, Laura; Jääskeläinen, Sirpa; Oresmaa, Larisa; Haukka, Matti","Argentophilic interactions in multinuclear Ag complexes of imidazole containing Schiff bases","CrystEngComm","2012","14","10","3509","","10.1039/c2ce06550a","","","0.71073","MoKα","","0.0687","0.0443","","","0.1057","0.1183","","","","","","1.04","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207797","11.263","0.0004","12.8443","0.0003","13.4111","0.0004","95.896","0.002","98.347","0.002","107.469","0.002","1808.9","0.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H66 Ag4 F12 N24 O13 S4 -","- C52 H66 Ag4 F12 N24 O13 S4 -","- C52 H66 Ag4 F12 N24 O13 S4 -","1","0.5","","Koskinen, Laura; Jääskeläinen, Sirpa; Oresmaa, Larisa; Haukka, Matti","Argentophilic interactions in multinuclear Ag complexes of imidazole containing Schiff bases","CrystEngComm","2012","14","10","3509","","10.1039/c2ce06550a","","","0.71073","MoKα","","0.0665","0.0371","","","0.0744","0.0842","","","","","","1.029","","","","has coordinates,has disorder","180408","2020-10-21","18:00:00",""
"7207798","12.6179","0.0004","13.4765","0.0003","20.5256","0.0009","90","","107.897","0.003","90","","3321.4","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H36 Ag2 Cl2 N12 O7 -","- C25 H36 Ag2 Cl2 N12 O7 -","- C100 H144 Ag8 Cl8 N48 O28 -","4","1","","Koskinen, Laura; Jääskeläinen, Sirpa; Oresmaa, Larisa; Haukka, Matti","Argentophilic interactions in multinuclear Ag complexes of imidazole containing Schiff bases","CrystEngComm","2012","14","10","3509","","10.1039/c2ce06550a","","","0.71073","MoKα","","0.0498","0.0287","","","0.0525","0.0576","","","","","","1.035","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207799","12.3742","0.0002","13.884","0.0002","14.1976","0.0002","110.879","0.001","101.366","0.001","102.307","0.001","2124.72","0.06","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H64 Ag6 F18 N24 O18 S6 -","- C54 H64 Ag6 F18 N24 O18 S6 -","- C54 H64 Ag6 F18 N24 O18 S6 -","1","0.5","","Koskinen, Laura; Jääskeläinen, Sirpa; Oresmaa, Larisa; Haukka, Matti","Argentophilic interactions in multinuclear Ag complexes of imidazole containing Schiff bases","CrystEngComm","2012","14","10","3509","","10.1039/c2ce06550a","","","0.71073","MoKα","","0.0346","0.0259","","","0.0571","0.0602","","","","","","1.053","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207800","20.1692","0.0007","6.8605","0.0002","28.4044","0.0008","90","","110.456","0.002","90","","3682.5","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 Ag F3 N6 O3 S -","- C14 H18 Ag F3 N6 O3 S -","- C112 H144 Ag8 F24 N48 O24 S8 -","8","2","","Koskinen, Laura; Jääskeläinen, Sirpa; Oresmaa, Larisa; Haukka, Matti","Argentophilic interactions in multinuclear Ag complexes of imidazole containing Schiff bases","CrystEngComm","2012","14","10","3509","","10.1039/c2ce06550a","","","0.71073","MoKα","","0.072","0.0394","","","0.0767","0.0876","","","","","","1.065","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207801","7.0111","0.0004","10.3913","0.0003","17.7538","0.0011","90","","94.186","0.006","90","","1289.99","0.12","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C14 H16 N2 O3 -","- C14 H16 N2 O3 -","- C56 H64 N8 O12 -","4","1","","Graus, Sara; Uriel, Santiago; Serrano, José Luis","Supramolecular hydrogen-bonding patterns in 4′-substituted cyclohexane-5-spirohydantoin","CrystEngComm","2012","14","10","3759","","10.1039/c2ce06560f","","","0.71073","MoKα","","0.0364","0.0283","","","0.0521","0.0537","","","","","","0.927","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207802","36.189","0.005","7.5131","0.0005","10.3712","0.0016","90","","102.949","0.013","90","","2748.1","0.6","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H18 N2 O3 -","- C15 H18 N2 O3 -","- C120 H144 N16 O24 -","8","1","","Graus, Sara; Uriel, Santiago; Serrano, José Luis","Supramolecular hydrogen-bonding patterns in 4′-substituted cyclohexane-5-spirohydantoin","CrystEngComm","2012","14","10","3759","","10.1039/c2ce06560f","","","0.71073","MoKα","","0.0439","0.0321","","","0.0837","0.0874","","","","","","1.075","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207803","7.823","0.003","9.608","0.005","12.6865","0.0015","102.052","0.007","90.957","0.017","113.86","0.02","847.4","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H20 N2 O6 -","- C17 H20 N2 O6 -","- C34 H40 N4 O12 -","2","1","","Graus, Sara; Uriel, Santiago; Serrano, José Luis","Supramolecular hydrogen-bonding patterns in 4′-substituted cyclohexane-5-spirohydantoin","CrystEngComm","2012","14","10","3759","","10.1039/c2ce06560f","","","0.71073","MoKα","","0.1358","0.0396","","","0.0506","0.0594","","","","","","0.772","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207804","20.003","0.004","13.847","0.003","12.636","0.002","90","","113.54","0.01","90","","3208.7","1.1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H19 N2 O5.5 -","- C16 H19 N2 O5.5 -","- C128 H152 N16 O44 -","8","1","","Graus, Sara; Uriel, Santiago; Serrano, José Luis","Supramolecular hydrogen-bonding patterns in 4′-substituted cyclohexane-5-spirohydantoin","CrystEngComm","2012","14","10","3759","","10.1039/c2ce06560f","","","0.71073","MoKα","","0.0823","0.0533","","","0.1216","0.1391","","","","","","1.022","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207805","6.047","0.002","6.272","0.003","26.102","0.008","89.21","0.04","85.91","0.03","66.67","0.04","906.6","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H24 N2 O4 -","- C18 H15 N2 O4 -","- C36 H30 N4 O8 -","2","1","","Graus, Sara; Uriel, Santiago; Serrano, José Luis","Supramolecular hydrogen-bonding patterns in 4′-substituted cyclohexane-5-spirohydantoin","CrystEngComm","2012","14","10","3759","","10.1039/c2ce06560f","","","0.71073","MoKα","","0.0848","0.0594","","","0.1783","0.1911","","","","","","1.078","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207806","14.4121","0.0009","14.7205","0.0009","14.7927","0.001","110.087","0.002","104.02","0.002","108.739","0.001","2562.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H106 N12 Nd4 O33 -","- C88 H100 N12 Nd4 O33 -","- C88 H100 N12 Nd4 O33 -","1","0.5","","Feng, Weixu; Zhang, Yao; Lü, Xingqiang; Hui, Yani; Shi, Guoxiang; Zou, Dan; Song, Jirong; Fan, Daidi; Wong, Wai-Kwok; Jones, Richard A.","Near-infrared (NIR) luminescent homoleptic lanthanide Salen complexes Ln4(Salen)4 (Ln = Nd, Yb or Er)","CrystEngComm","2012","14","10","3456","","10.1039/c2ce06566e","","","0.71073","MoKα","","0.115","0.0752","","","0.1978","0.2431","","","","","","1.095","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207807","14.424","0.0012","14.463","0.0011","14.633","0.002","111.254","0.002","104.137","0.002","107.699","0.001","2485","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H106 N12 O33 Yb4 -","- C88 H100 N12 O33 Yb4 -","- C88 H100 N12 O33 Yb4 -","1","0.5","","Feng, Weixu; Zhang, Yao; Lü, Xingqiang; Hui, Yani; Shi, Guoxiang; Zou, Dan; Song, Jirong; Fan, Daidi; Wong, Wai-Kwok; Jones, Richard A.","Near-infrared (NIR) luminescent homoleptic lanthanide Salen complexes Ln4(Salen)4 (Ln = Nd, Yb or Er)","CrystEngComm","2012","14","10","3456","","10.1039/c2ce06566e","","","0.71073","MoKα","","0.0532","0.039","","","0.0956","0.1044","","","","","","1.044","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207808","14.4573","0.0013","14.569","0.0013","14.707","0.002","111.567","0.002","102.88","0.002","107.54","0.001","2545","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H106 Er4 N12 O33 -","- C88 H100 Er4 N12 O33 -","- C88 H100 Er4 N12 O33 -","1","0.5","","Feng, Weixu; Zhang, Yao; Lü, Xingqiang; Hui, Yani; Shi, Guoxiang; Zou, Dan; Song, Jirong; Fan, Daidi; Wong, Wai-Kwok; Jones, Richard A.","Near-infrared (NIR) luminescent homoleptic lanthanide Salen complexes Ln4(Salen)4 (Ln = Nd, Yb or Er)","CrystEngComm","2012","14","10","3456","","10.1039/c2ce06566e","","","0.71073","MoKα","","0.0576","0.0394","","","0.099","0.1114","","","","","","1.02","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207809","22.334","0.005","20.772","0.005","20.407","0.005","90","0.005","90","0.005","90","0.005","9467","4","293","2","293","2","","","","","","","","7","C m c 21","C 2c -2","36","","","","- C30 H20 Ag10 N25 O68 P2 W18 -","- C30 H20 Ag10 N25 O68 P2 W18 -","- C120 H80 Ag40 N100 O272 P8 W72 -","4","0.5","","Wang, Xiang; Peng, Jun; Liu, Ming-Guan; Wang, Dan-Dan; Meng, Cui-Li; Li, Yang; Shi, Zhen-Yu","Polyoxoanion-enveloped Ag/ptz inorganic‒organic hybrid system: From a single to a double template","CrystEngComm","2012","14","9","3220","","10.1039/c2ce06577k","","","0.71069","MoKα","","0.0377","0.0338","","","0.0644","0.0657","","","","","","1.049","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207810","12.068","0.005","13.909","0.005","22.742","0.005","95.902","0.005","104.964","0.005","103.97","0.005","3523","2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H20 Ag7 N25 O41 Si W12 -","- C30 H20 Ag7 N25 O41 Si W12 -","- C60 H40 Ag14 N50 O82 Si2 W24 -","2","1","","Wang, Xiang; Peng, Jun; Liu, Ming-Guan; Wang, Dan-Dan; Meng, Cui-Li; Li, Yang; Shi, Zhen-Yu","Polyoxoanion-enveloped Ag/ptz inorganic‒organic hybrid system: From a single to a double template","CrystEngComm","2012","14","9","3220","","10.1039/c2ce06577k","","","0.71069","MoKα","","0.0879","0.0657","","","0.1427","0.1572","","","","","","1.082","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207811","5.4378","0.0011","7.0974","0.0014","12.031","0.002","90.52","0.03","95.2","0.03","102.28","0.03","451.64","0.16","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 O12 S2 Zn -","- C14 H18 O12 S2 Zn -","- C14 H18 O12 S2 Zn -","1","0.5","","Wang, Huang; Huo, Li-Hua; Deng, Zhao-Peng; Zhao, Hui; Gao, Shan","Syntheses, crystal structures and luminescent properties of Zn(ii)/Cd(ii) supramolecular complexes incorporating 4-sulfinobenzoate and its in situ oxidized ligand","CrystEngComm","2012","14","10","3501","","10.1039/c2ce06584c","","","0.71073","MoKα","","0.0368","0.0275","","","0.0757","0.0862","","","","","","1.035","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207812","5.6965","0.0011","7.1619","0.0014","11.935","0.002","93.51","0.03","92.42","0.03","105.53","0.03","467.39","0.17","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 Cd O12 S2 -","- C14 H18 Cd O12 S2 -","- C14 H18 Cd O12 S2 -","1","0.5","","Wang, Huang; Huo, Li-Hua; Deng, Zhao-Peng; Zhao, Hui; Gao, Shan","Syntheses, crystal structures and luminescent properties of Zn(ii)/Cd(ii) supramolecular complexes incorporating 4-sulfinobenzoate and its in situ oxidized ligand","CrystEngComm","2012","14","10","3501","","10.1039/c2ce06584c","","","0.71073","MoKα","","0.0564","0.0539","","","0.1518","0.1537","","","","","","1.091","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207813","7.7849","0.0016","9.839","0.002","12.367","0.003","76.16","0.03","84","0.03","71.71","0.03","872.8","0.4","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H32 Cd2 N4 O12 S2 -","- C34 H32 Cd2 N4 O12 S2 -","- C34 H32 Cd2 N4 O12 S2 -","1","0.5","","Wang, Huang; Huo, Li-Hua; Deng, Zhao-Peng; Zhao, Hui; Gao, Shan","Syntheses, crystal structures and luminescent properties of Zn(ii)/Cd(ii) supramolecular complexes incorporating 4-sulfinobenzoate and its in situ oxidized ligand","CrystEngComm","2012","14","10","3501","","10.1039/c2ce06584c","","","0.71073","MoKα","","0.032","0.0264","","","0.0711","0.0807","","","","","","1.062","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207814","7.6682","0.0017","10.7302","0.0019","11.371","0.002","89.097","0.005","72.836","0.006","89.849","0.006","893.8","0.3","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H18 N2 O7 S Zn -","- C17 H18 N2 O7 S Zn -","- C34 H36 N4 O14 S2 Zn2 -","2","1","","Wang, Huang; Huo, Li-Hua; Deng, Zhao-Peng; Zhao, Hui; Gao, Shan","Syntheses, crystal structures and luminescent properties of Zn(ii)/Cd(ii) supramolecular complexes incorporating 4-sulfinobenzoate and its in situ oxidized ligand","CrystEngComm","2012","14","10","3501","","10.1039/c2ce06584c","","","0.71073","MoKα","","0.1229","0.0699","","","0.1744","0.2249","","","","","","1.027","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207815","7.1106","0.0014","18.31","0.004","12.36","0.003","90","","100.11","0.03","90","","1584.2","0.6","295","2","295","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H36 N4 O13 S Zn -","- C27 H36 N4 O13 S Zn -","- C54 H72 N8 O26 S2 Zn2 -","2","1","","Wang, Huang; Huo, Li-Hua; Deng, Zhao-Peng; Zhao, Hui; Gao, Shan","Syntheses, crystal structures and luminescent properties of Zn(ii)/Cd(ii) supramolecular complexes incorporating 4-sulfinobenzoate and its in situ oxidized ligand","CrystEngComm","2012","14","10","3501","","10.1039/c2ce06584c","","","0.71073","MoKα","","0.1156","0.0534","","","0.1212","0.19","","","","","","1.048","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207816","18.49","0.004","12.4","0.003","25","0.005","90","","107.99","0.03","90","","5452","2","295","2","295","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C54 H52 Cd2 N8 O16 S2 -","- C54 H52 Cd2 N8 O16 S2 -","- C216 H208 Cd8 N32 O64 S8 -","4","1","","Wang, Huang; Huo, Li-Hua; Deng, Zhao-Peng; Zhao, Hui; Gao, Shan","Syntheses, crystal structures and luminescent properties of Zn(ii)/Cd(ii) supramolecular complexes incorporating 4-sulfinobenzoate and its in situ oxidized ligand","CrystEngComm","2012","14","10","3501","","10.1039/c2ce06584c","","","0.71073","MoKα","","0.0466","0.041","","","0.0971","0.1016","","","","","","1.023","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207817","23.7711","0.0016","18.2299","0.0012","10.4033","0.0007","90","","91.183","0.002","90","","4507.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H40 Cd2 N4 O12 -","- C48 H40 Cd2 N4 O12 -","- C192 H160 Cd8 N16 O48 -","4","1","","Xu, Xinxin; Zhang, Xia; Liu, Xiaoxia; Wang, Linshan; Wang, Enbo","Two 2D →3D entangled coordination polymers with polycatenated and polythreaded features based on 44-sql layers","CrystEngComm","2012","14","9","3264","","10.1039/c2ce06593b","","","0.71073","MoKα","","0.038","0.0301","","","0.0885","0.0937","","","","","","1.022","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207818","27.312","0.0005","27.312","0.0005","34.5543","0.0015","90","","90","","90","","25775.6","1.3","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C125 H134 N10 Ni5 O32 -","- C125 H134 N10 Ni5 O32 -","- C1000 H1072 N80 Ni40 O256 -","8","0.5","","Xu, Xinxin; Zhang, Xia; Liu, Xiaoxia; Wang, Linshan; Wang, Enbo","Two 2D →3D entangled coordination polymers with polycatenated and polythreaded features based on 44-sql layers","CrystEngComm","2012","14","9","3264","","10.1039/c2ce06593b","","","0.71073","MoKα","","0.1049","0.0489","","","0.0957","0.1197","","","","","","0.928","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207819","23.3334","0.0007","10.3868","0.0003","17.3827","0.0006","90","","109.477","0.002","90","","3971.8","0.2","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H34 Co N12 O2 S2 -","- C40 H34 Co N12 O2 S2 -","- C160 H136 Co4 N48 O8 S8 -","4","1","","Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Vujovic, Srboljub; Zampese, Jennifer A.; Zhang, Guoqi","Cobalt(ii) coordination polymers with 4′-substituted 4,2′:6′,4′′- and 3,2′:6′,3′′-terpyridines: engineering a switch from planar to undulating chains and sheets","CrystEngComm","2012","14","10","3554","","10.1039/c2ce06609b","","","0.71073","MoKα","","0.1092","0.0697","","0.1443","0.0669","0.056","","","","","","1.0536","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207820","28.199","0.006","10.371","0.002","32.295","0.007","90","","103.51","0.03","90","","9183","4","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C50.33 H38.67 Cl1.33 Co N8 O2 S2 -","- C50.34 H36.68 Cl1.34 Co N8 O1.99 S2 -","- C402.72 H293.44 Cl10.72 Co8 N64 O15.92 S16 -","8","1","","Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Vujovic, Srboljub; Zampese, Jennifer A.; Zhang, Guoqi","Cobalt(ii) coordination polymers with 4′-substituted 4,2′:6′,4′′- and 3,2′:6′,3′′-terpyridines: engineering a switch from planar to undulating chains and sheets","CrystEngComm","2012","14","10","3554","","10.1039/c2ce06609b","","","0.71073","MoKα","","0.0487","0.0463","","","0.1244","0.1264","","","","","","1.043","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7207821","14.3014","0.0008","14.3112","0.0007","26.2091","0.0012","90","","90","","90","","5364.2","0.5","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H28 Co N6 O2 S2 -","- C27 H28 Co N6 O2 S2 -","- C216 H224 Co8 N48 O16 S16 -","8","1","","Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Vujovic, Srboljub; Zampese, Jennifer A.; Zhang, Guoqi","Cobalt(ii) coordination polymers with 4′-substituted 4,2′:6′,4′′- and 3,2′:6′,3′′-terpyridines: engineering a switch from planar to undulating chains and sheets","CrystEngComm","2012","14","10","3554","","10.1039/c2ce06609b","","","0.71073","MoKα","","0.0425","0.0415","","","0.0928","0.0933","","","","","","1.216","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207822","24.608","0.002","10.6168","0.001","17.7748","0.0016","90","","116.118","0.006","90","","4169.6","0.7","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C88 H70 Co2 N16 O5 S4 -","- C88 H60 Co2 N16 O5 S4 -","- C176 H120 Co4 N32 O10 S8 -","2","0.25","","Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Vujovic, Srboljub; Zampese, Jennifer A.; Zhang, Guoqi","Cobalt(ii) coordination polymers with 4′-substituted 4,2′:6′,4′′- and 3,2′:6′,3′′-terpyridines: engineering a switch from planar to undulating chains and sheets","CrystEngComm","2012","14","10","3554","","10.1039/c2ce06609b","","","0.71073","MoKα","","0.0597","0.0581","","","0.1598","0.1612","","","","","","1.119","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7207823","7.0576","0.0008","21.727","0.003","12.0929","0.0012","90","","103.978","0.008","90","","1799.4","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 Cl3 N5 -","- C19 H14 Cl3 N5 -","- C76 H56 Cl12 N20 -","4","1","","Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Vujovic, Srboljub; Zampese, Jennifer A.; Zhang, Guoqi","Cobalt(ii) coordination polymers with 4′-substituted 4,2′:6′,4′′- and 3,2′:6′,3′′-terpyridines: engineering a switch from planar to undulating chains and sheets","CrystEngComm","2012","14","10","3554","","10.1039/c2ce06609b","","","0.71073","MoKα","","0.0437","0.0368","","","0.0894","0.0931","","","","","","1.054","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207824","19.386","0.002","18.7538","0.0017","7.9689","0.0013","90","","99.188","0.013","90","","2860","0.6","","","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","salicylaldehyde 4-phenylthiosemicarbazone)-(salicylaldehyde 4-phenylthiosemicarbazonato)-nickel(ii) methanol (1/1) solvate","(salicylaldehyde 4-phenylthiosemicarbazone)-(salicylaldehyde 4-phenylthiosemicarbazonato)-nickel(ii) methanol (1/1) solvate","","- C29 H28 N6 Ni O3 S2 -","- C29 H28 N6 Ni O3 S2 -","- C116 H112 N24 Ni4 O12 S8 -","4","1","","Cindrić, Marina; Uzelac, Marina; Cinčić, Dominik; Halasz, Ivan; Pavlović, Gordana; Hrenar, Tomica; Ćurić, Manda; Kovačević, Davor","Three routes to nickel(ii) salicylaldehyde 4-phenyl and 4-methylthiosemicarbazonato complexes: mechanochemical, electrochemical and conventional approach","CrystEngComm","2012","14","9","3039","","10.1039/c2ce06611d","","","0.71073","MoKα","","0.1694","0.0914","","","0.1682","0.1926","","","","","","1.085","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207825","11.8765","0.00054","22.5378","0.0012","10.78016","0.00051","90","","116.174","0.0029","90","","2589.6","0.2","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 N6 Ni O2 S2 -","- C28 H24 N6 Ni O2 S2 -","- C112 H96 N24 Ni4 O8 S8 -","4","0.5","","Cindrić, Marina; Uzelac, Marina; Cinčić, Dominik; Halasz, Ivan; Pavlović, Gordana; Hrenar, Tomica; Ćurić, Manda; Kovačević, Davor","Three routes to nickel(ii) salicylaldehyde 4-phenyl and 4-methylthiosemicarbazonato complexes: mechanochemical, electrochemical and conventional approach","CrystEngComm","2012","14","9","3039","","10.1039/c2ce06611d","powder diffraction","","1.54059","CuKα_1","","","","","","","","0.0162","","","","","","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207826","19.7898","0.001","8.36585","0.00034","11.79716","0.00041","90","","90","","90","","1953.12","0.14","293","","293","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C18 H20 N6 Ni O2 S2 -","- C18 H20 N6 Ni O2 S2 -","- C72 H80 N24 Ni4 O8 S8 -","4","0.5","","Cindrić, Marina; Uzelac, Marina; Cinčić, Dominik; Halasz, Ivan; Pavlović, Gordana; Hrenar, Tomica; Ćurić, Manda; Kovačević, Davor","Three routes to nickel(ii) salicylaldehyde 4-phenyl and 4-methylthiosemicarbazonato complexes: mechanochemical, electrochemical and conventional approach","CrystEngComm","2012","14","9","3039","","10.1039/c2ce06611d","powder diffraction","","1.54059","CuKα_1","","","","","","","","0.0186","","","","","","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207827","11.115","0.005","14.361","0.006","14.281","0.005","90","","92.75","0.05","90","","2276.9","1.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C7 H12 Ag N5 O5 S -","- C7 H8 Ag N5 O5 S -","- C56 H64 Ag8 N40 O40 S8 -","8","1","","Kumar, Jitendra; Kanoo, Prakash; Maji, Tapas Kumar; Verma, Sandeep","Water adsorbing silver‒adenine interpenetrated framework","CrystEngComm","2012","14","9","3012","","10.1039/c2ce06625d","","","0.71073","MoKα","","0.084","0.066","","","0.15","0.1606","","","","","","1.083","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207828","11.115","0.005","14.361","0.006","14.281","0.005","90","","92.75","0.05","90","","2276.9","1.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C7 H12 Ag N5 O5 S -","- C7 H8 Ag N5 O5 S -","- C56 H64 Ag8 N40 O40 S8 -","8","1","","Chen, Shui-Sheng; Zhao, Yue; Fan, Jian; Okamura, Taka-aki; Bai, Zheng-Shuai; Chen, Zhi-Hao; Sun, Wei-Yin","Construction of coordination frameworks based on 4-imidazolyl tecton 1,4-di(1H-imidazol-4-yl)benzene and varied carboxylic acids","CrystEngComm","2012","14","10","3564","","10.1039/c2ce06632g","","","0.71073","MoKα","","0.109","0.0713","","","0.1562","0.1805","","","","","","1.075","","","","has coordinates,has disorder","180409","2020-10-21","18:00:00",""
"7207829","8.5302","0.0003","6.8167","0.0003","9.3304","0.0004","90","","89.865","0.002","90","","542.54","0.04","509","","509","","","","","","","","commercial","4","C 1 2/c 1","-C 2yc","15","Barbituric acid","2,4,6(1H,3H,5H)-pyrimidinetrione","","- C4 H4 N2 O3 -","- C4 H4 N2 O3 -","- C16 H16 N8 O12 -","4","0.5","","Többens, Daniel M.; Glinneman, Jürgen; Chierotti, Michele R.; van de Streek, Jacco; Sheptyakov, Denis","On the high-temperature phase of barbituric acid","CrystEngComm","2012","14","9","3046","","10.1039/c2ce06636j","","","","","","","","","","","","","","","","","","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207830","5.0901","0.0003","13.9239","0.0006","16.8234","0.0008","90","","90","","90","","1192.34","0.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","l-argininium perrhenate","l-argininium perrhenate","","- C6 H15 N4 O6 Re -","- C6 H15 N4 O6 Re -","- C24 H60 N16 O24 Re4 -","4","1","","Isakov, Dmitry; de Matos Gomes, Etelvina; Belsley, Michael Scott; Rodrigues, Vitor Hugo; Ramalho Costa, Maria Margarida","Synthesis, structure and non-linear optical properties of l-argininium perrhenate crystal","CrystEngComm","2012","14","10","3767","","10.1039/c2ce06652a","","","0.71073","MoKα","","0.0612","0.0505","","","0.1291","0.137","","","","","","1.053","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207831","7.313","0.0015","11.236","0.002","8.2171","0.0016","90","","97.26","0.03","90","","669.8","0.2","153","2","153","2","","","","","","","","4","I 1 2 1","I 2y","5","","","","- Mo3 Na2 O16 Te3 -","- Mo3 Na2 O16 Te3 -","- Mo6 Na4 O32 Te6 -","2","0.5","","Zhang, Wenlin; Sun, Jianfeng; Wang, Xiaoqing; Shen, Guangqiu; Shen, Dezhong","Crystal growth and optical properties of a noncentrosymmetric molybdenum tellurite, Na2Te3Mo3O16","CrystEngComm","2012","14","10","3490","","10.1039/c2ce06658k","","","0.71073","MoKα","","0.0307","0.0292","","","0.0641","0.0646","","","","","","1.073","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207832","7.1438","0.0002","10.8234","0.0002","15.2054","0.0003","90","","99.562","0.001","90","","1159.35","0.05","296","2","296","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C29 H25 N O5 S -","- C29 H25 N O5 S -","- C58 H50 N2 O10 S2 -","2","1","","Kim, Pil-Joo; Jazbinsek, Mojca; Jeong, Jae-Hyeok; Kim, Jong-Taek; Lee, Yoon Sup; Jung, Yeong-Min; Lee, Soon W.; Kwon, O-Pil","New acentric quinolinium crystal with high order parameter for nonlinear optical and electro-optic applications","CrystEngComm","2012","14","10","3633","","10.1039/c2ce06667j","","","0.71073","MoKα","","0.0544","0.0394","","","0.0851","0.0918","","","","","","1.042","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207833","11.3822","0.0002","11.1231","0.0002","15.3382","0.0002","90","","105.212","0.001","90","","1873.86","0.05","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 Cu N2 O7 P S -","- C18 H15 Cu N2 O7 P S -","- C72 H60 Cu4 N8 O28 P4 S4 -","4","1","","Zima, Vítězslav; Svoboda, Jan; Yang, Ya-Ching; Wang, Sue-Lein","New copper aryl phosphonates with auxiliary nitrogen ligands","CrystEngComm","2012","14","10","3469","","10.1039/c2ce06675k","","","0.71073","MoKα","","0.0384","0.0296","","","0.0801","0.0849","","","","","","1.073","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207834","10.2042","0.0003","6.9866","0.0002","24.8482","0.0006","90","","90.929","0.001","90","","1771.26","0.08","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 Cu N2 O6 P -","- C19 H15 Cu N2 O6 P -","- C76 H60 Cu4 N8 O24 P4 -","4","1","","Zima, Vítězslav; Svoboda, Jan; Yang, Ya-Ching; Wang, Sue-Lein","New copper aryl phosphonates with auxiliary nitrogen ligands","CrystEngComm","2012","14","10","3469","","10.1039/c2ce06675k","","","0.71073","MoKα","","0.0498","0.0326","","","0.0938","0.115","","","","","","1.078","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207835","10.1238","0.0008","10.4815","0.0009","13.143","0.0011","69.569","0.001","75.034","0.001","63.557","0.001","1161.36","0.17","296","2","296","2","","","","","","","","6","P -1","-P 1","2","3","","","- C21 H19 Cu N2 O9.5 P3 -","- C21 H18 Cu N2 O9.5 P3 -","- C42 H36 Cu2 N4 O19 P6 -","2","1","","Zima, Vítězslav; Svoboda, Jan; Yang, Ya-Ching; Wang, Sue-Lein","New copper aryl phosphonates with auxiliary nitrogen ligands","CrystEngComm","2012","14","10","3469","","10.1039/c2ce06675k","","","0.71073","MoKα","","0.0385","0.0342","","","0.0955","0.0988","","","","","","1.073","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207836","9.143","0.003","9.4","0.003","11.457","0.004","101.379","0.007","91.586","0.007","114.862","0.006","869","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H14 Cu N2 O6 P2 -","- C16 H14 Cu N2 O6 P2 -","- C32 H28 Cu2 N4 O12 P4 -","2","1","","Zima, Vítězslav; Svoboda, Jan; Yang, Ya-Ching; Wang, Sue-Lein","New copper aryl phosphonates with auxiliary nitrogen ligands","CrystEngComm","2012","14","10","3469","","10.1039/c2ce06675k","","","0.71073","MoKα","","0.0261","0.0232","","","0.063","0.0652","","","","","","1.056","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207837","26.9341","0.0008","8.4997","0.0002","26.9792","0.0008","90","","117.043","0.001","90","","5501.1","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H23 Cu N4 O6 P2 -","- C30 H23 Cu N4 O6 P2 -","- C240 H184 Cu8 N32 O48 P16 -","8","1","","Zima, Vítězslav; Svoboda, Jan; Yang, Ya-Ching; Wang, Sue-Lein","New copper aryl phosphonates with auxiliary nitrogen ligands","CrystEngComm","2012","14","10","3469","","10.1039/c2ce06675k","","","0.71073","MoKα","","0.059","0.0386","","","0.1","0.111","","","","","","1.074","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207838","8.2313","0.001","10.2454","0.0012","11.5573","0.0014","74.28","0.001","74.22","0.001","70.04","0.001","864.33","0.18","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H14 Ag I3 N2 -","- C12 H14 Ag I3 N2 -","- C24 H28 Ag2 I6 N4 -","2","1","","Qiao, Yong-Zhen; Fu, Wen-Zhen; Yue, Jun-Ming; Liu, Xiu-Cun; Niu, Yun-Yin; Hou, Hong-Wei","Role of cooperative templates in the self-assembly process of microporous structures: syntheses and characterization of 12 new silver halide/thiocyanate supramolecular polymers","CrystEngComm","2012","14","9","3241","","10.1039/c2ce06687d","","","0.71073","MoKα","","0.0225","0.02","","","0.0468","0.0481","","","","","","1.043","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207839","12.653","0.003","13.229","0.003","26.039","0.005","90","","90","","90","","4358.6","1.7","291","2","291","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H18 Ag I3 N2 -","- C18 H18 Ag I3 N2 -","- C144 H144 Ag8 I24 N16 -","8","1","","Qiao, Yong-Zhen; Fu, Wen-Zhen; Yue, Jun-Ming; Liu, Xiu-Cun; Niu, Yun-Yin; Hou, Hong-Wei","Role of cooperative templates in the self-assembly process of microporous structures: syntheses and characterization of 12 new silver halide/thiocyanate supramolecular polymers","CrystEngComm","2012","14","9","3241","","10.1039/c2ce06687d","","","0.71073","MoKα","","0.0521","0.0311","","","0.0553","0.0596","","","","","","1.106","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207840","7.3392","0.0007","8.5029","0.0009","9.2575","0.0009","92.439","0.002","91.191","0.002","108.102","0.002","548.27","0.09","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 Ag2 I4 N2 -","- C14 H18 Ag2 I4 N2 -","- C14 H18 Ag2 I4 N2 -","1","0.5","","Qiao, Yong-Zhen; Fu, Wen-Zhen; Yue, Jun-Ming; Liu, Xiu-Cun; Niu, Yun-Yin; Hou, Hong-Wei","Role of cooperative templates in the self-assembly process of microporous structures: syntheses and characterization of 12 new silver halide/thiocyanate supramolecular polymers","CrystEngComm","2012","14","9","3241","","10.1039/c2ce06687d","","","0.71073","MoKα","","0.0821","0.0777","","","0.1813","0.1861","","","","","","1.088","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207841","10.502","0.008","14.784","0.011","13.335","0.009","90","","110.039","0.014","90","","1945","2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 Ag2 Br4 N2 -","- C14 H18 Ag2 Br4 N2 -","- C56 H72 Ag8 Br16 N8 -","4","1","","Qiao, Yong-Zhen; Fu, Wen-Zhen; Yue, Jun-Ming; Liu, Xiu-Cun; Niu, Yun-Yin; Hou, Hong-Wei","Role of cooperative templates in the self-assembly process of microporous structures: syntheses and characterization of 12 new silver halide/thiocyanate supramolecular polymers","CrystEngComm","2012","14","9","3241","","10.1039/c2ce06687d","","","0.71073","MoKα","","0.104","0.0674","","","0.1364","0.1489","","","","","","1.091","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207842","11.1087","0.0006","16.3854","0.0008","13.9793","0.0009","90","","109.386","0.007","90","","2400.3","0.3","291.15","","291.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 Ag2 I4 N2 -","- C16 H22 Ag2 I4 N2 -","- C64 H88 Ag8 I16 N8 -","4","1","","Qiao, Yong-Zhen; Fu, Wen-Zhen; Yue, Jun-Ming; Liu, Xiu-Cun; Niu, Yun-Yin; Hou, Hong-Wei","Role of cooperative templates in the self-assembly process of microporous structures: syntheses and characterization of 12 new silver halide/thiocyanate supramolecular polymers","CrystEngComm","2012","14","9","3241","","10.1039/c2ce06687d","","","0.7107","MoKα","","0.0893","0.0587","","","0.1201","0.1356","","","","","","1.035","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207843","14.0772","0.0011","21.7338","0.0018","31.559","0.003","90","","90","","90","","9655.5","1.4","100","2","100","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C17 H24 Ag2 I4 N2 -","- C17 H24 Ag2 I4 N2 -","- C272 H384 Ag32 I64 N32 -","16","0.5","","Qiao, Yong-Zhen; Fu, Wen-Zhen; Yue, Jun-Ming; Liu, Xiu-Cun; Niu, Yun-Yin; Hou, Hong-Wei","Role of cooperative templates in the self-assembly process of microporous structures: syntheses and characterization of 12 new silver halide/thiocyanate supramolecular polymers","CrystEngComm","2012","14","9","3241","","10.1039/c2ce06687d","","","0.71073","MoKα","","0.053","0.0275","","","0.0661","0.0844","","","","","","1.074","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207844","9.1768","0.0012","16.292","0.002","6.9455","0.0009","90","","99.883","0.002","90","","1023","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H9 Ag Br2 N -","- C7 H9 Ag Br2 N -","- C28 H36 Ag4 Br8 N4 -","4","1","","Qiao, Yong-Zhen; Fu, Wen-Zhen; Yue, Jun-Ming; Liu, Xiu-Cun; Niu, Yun-Yin; Hou, Hong-Wei","Role of cooperative templates in the self-assembly process of microporous structures: syntheses and characterization of 12 new silver halide/thiocyanate supramolecular polymers","CrystEngComm","2012","14","9","3241","","10.1039/c2ce06687d","","","0.71073","MoKα","","0.0363","0.027","","","0.0606","0.0642","","","","","","1.069","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207845","8.6941","0.0007","14.4401","0.0012","16.6058","0.0014","90","","92.109","0.001","90","","2083.3","0.3","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 Ag2 Br4 N2 -","- C15 H20 Ag2 Br4 N2 -","- C60 H80 Ag8 Br16 N8 -","4","1","","Qiao, Yong-Zhen; Fu, Wen-Zhen; Yue, Jun-Ming; Liu, Xiu-Cun; Niu, Yun-Yin; Hou, Hong-Wei","Role of cooperative templates in the self-assembly process of microporous structures: syntheses and characterization of 12 new silver halide/thiocyanate supramolecular polymers","CrystEngComm","2012","14","9","3241","","10.1039/c2ce06687d","","","0.71073","MoKα","","0.0302","0.0216","","","0.0462","0.0488","","","","","","1.026","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207846","8.1005","0.001","11.1349","0.0013","11.5011","0.0013","107.703","0.002","96.284","0.002","90.253","0.002","981.5","0.2","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H16 Ag Br N4 S2 -","- C18 H16 Ag Br N4 S2 -","- C36 H32 Ag2 Br2 N8 S4 -","2","1","","Qiao, Yong-Zhen; Fu, Wen-Zhen; Yue, Jun-Ming; Liu, Xiu-Cun; Niu, Yun-Yin; Hou, Hong-Wei","Role of cooperative templates in the self-assembly process of microporous structures: syntheses and characterization of 12 new silver halide/thiocyanate supramolecular polymers","CrystEngComm","2012","14","9","3241","","10.1039/c2ce06687d","","","0.71073","MoKα","","0.0687","0.0451","","","0.1101","0.1211","","","","","","1.082","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207847","8.6394","0.0006","9.1974","0.0006","13.6575","0.001","90","","98.458","0.006","90","","1073.42","0.13","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C14 H20 Ag2 Br2 I0 N6 O0 S2 -","- C14 H20 Ag2 Br2 N6 S2 -","- C28 H40 Ag4 Br4 N12 S4 -","2","0.5","","Qiao, Yong-Zhen; Fu, Wen-Zhen; Yue, Jun-Ming; Liu, Xiu-Cun; Niu, Yun-Yin; Hou, Hong-Wei","Role of cooperative templates in the self-assembly process of microporous structures: syntheses and characterization of 12 new silver halide/thiocyanate supramolecular polymers","CrystEngComm","2012","14","9","3241","","10.1039/c2ce06687d","","","0.71073","MoKα","","0.0797","0.0694","","","0.1681","0.1764","","","","","","1.068","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207848","18.071","0.002","7.2152","0.0008","8.8573","0.0014","90","","108.136","0.015","90","","1097.5","0.3","291.15","","291.15","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C6 H10 Ag Br2 N2 -","- C6 H3 Ag Br2 N2 -","- C24 H12 Ag4 Br8 N8 -","4","0.5","","Qiao, Yong-Zhen; Fu, Wen-Zhen; Yue, Jun-Ming; Liu, Xiu-Cun; Niu, Yun-Yin; Hou, Hong-Wei","Role of cooperative templates in the self-assembly process of microporous structures: syntheses and characterization of 12 new silver halide/thiocyanate supramolecular polymers","CrystEngComm","2012","14","9","3241","","10.1039/c2ce06687d","","","0.7107","MoKα","","0.0542","0.0463","","","0.1385","0.1451","","","","","","1.094","","","","has coordinates,has disorder","180409","2020-10-21","18:00:00",""
"7207849","18.2976","0.0014","18.9067","0.0006","13.4284","0.0009","90","","132.716","0.013","90","","3413.2","0.8","291","2","291.15","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C20 H30 Ag4 I6 N2 -","- C20 H30 Ag4 I6 N2 -","- C80 H120 Ag16 I24 N8 -","4","0.5","","Qiao, Yong-Zhen; Fu, Wen-Zhen; Yue, Jun-Ming; Liu, Xiu-Cun; Niu, Yun-Yin; Hou, Hong-Wei","Role of cooperative templates in the self-assembly process of microporous structures: syntheses and characterization of 12 new silver halide/thiocyanate supramolecular polymers","CrystEngComm","2012","14","9","3241","","10.1039/c2ce06687d","","","0.7107","MoKα","","0.0615","0.0427","","","0.1359","0.153","","","","","","1.001","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207850","9.708","0.0004","14.111","0.0009","16.579","0.001","72.751","0.002","87.723","0.004","71.095","0.003","2048","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C65.6 H61.5 Cu2 N2 O10.8 -","- C68.6 H52.6 Cu2 N2 O9.8 -","- C68.6 H52.6 Cu2 N2 O9.8 -","1","0.5","","Burrows, Andrew D.; Mahon, Mary F.; Raithby, Paul R.; Warren, Anna J.; Teat, Simon J.; Warren, John E.","The effect of carboxylate and N,N′-ditopic ligand lengths on the structures of copper and zinc coordination polymers","CrystEngComm","2012","14","10","3658","","10.1039/c2ce06709a","","","0.71073","MoKα","","0.1103","0.0751","","","0.1955","0.2095","","","","","","1.028","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207851","23.32","0.003","9.5701","0.0014","26.478","0.004","90","","103.799","0.002","90","","5738.7","1.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32.5 H29 Cu N O4.5 -","- C29 H25 Cu N O4 -","- C232 H200 Cu8 N8 O32 -","8","1","","Burrows, Andrew D.; Mahon, Mary F.; Raithby, Paul R.; Warren, Anna J.; Teat, Simon J.; Warren, John E.","The effect of carboxylate and N,N′-ditopic ligand lengths on the structures of copper and zinc coordination polymers","CrystEngComm","2012","14","10","3658","","10.1039/c2ce06709a","","","0.7848","Synchrotron","","0.1143","0.0768","","","0.214","0.234","","","","","","1.039","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207852","23.043","0.01","9.582","0.004","26.852","0.011","90","","104.624","0.007","90","","5737","4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H62 N4 O10 Zn2 -","- C64 H62 N4 O10 Zn2 -","- C256 H248 N16 O40 Zn8 -","4","0.5","","Burrows, Andrew D.; Mahon, Mary F.; Raithby, Paul R.; Warren, Anna J.; Teat, Simon J.; Warren, John E.","The effect of carboxylate and N,N′-ditopic ligand lengths on the structures of copper and zinc coordination polymers","CrystEngComm","2012","14","10","3658","","10.1039/c2ce06709a","","","0.7749","Synchrotron","","0.0804","0.0423","","","0.0781","0.0866","","","","","","1.032","","","","has coordinates,has disorder","180409","2020-10-21","18:00:00",""
"7207853","18.775","0.001","18.775","0.001","19.672","0.003","90","","90","","90","","6934.4","1.2","150","2","150","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C16 H10 Cu I2 N O4 -","- C16 H10 Cu I2 N O4 -","- C256 H160 Cu16 I32 N16 O64 -","16","1","","Burrows, Andrew D.; Mahon, Mary F.; Raithby, Paul R.; Warren, Anna J.; Teat, Simon J.; Warren, John E.","The effect of carboxylate and N,N′-ditopic ligand lengths on the structures of copper and zinc coordination polymers","CrystEngComm","2012","14","10","3658","","10.1039/c2ce06709a","","","0.71073","MoKα","","0.1125","0.0668","","","0.175","0.189","","","","","","1.06","","","","has coordinates,has disorder","180409","2020-10-21","18:00:00",""
"7207854","12.797","0.0005","12.797","0.0005","39.098","0.0018","90","","90","","90","","6402.8","0.5","150","2","150","2","","","","","","","","6","P 41","P 4w","76","","","","- C46 H38 Cu2 I4 N3 O10 -","- C32 H19 Cu2 I4 N3 O8 -","- C128 H76 Cu8 I16 N12 O32 -","4","1","","Burrows, Andrew D.; Mahon, Mary F.; Raithby, Paul R.; Warren, Anna J.; Teat, Simon J.; Warren, John E.","The effect of carboxylate and N,N′-ditopic ligand lengths on the structures of copper and zinc coordination polymers","CrystEngComm","2012","14","10","3658","","10.1039/c2ce06709a","","","0.71073","MoKα","","0.1056","0.0786","","","0.2418","0.2617","","","","","","1.078","","","","has coordinates,has disorder","180409","2020-10-21","18:00:00",""
"7207855","12.4072","0.0008","12.4082","0.0007","33.608","0.002","87.891","0.002","88.473","0.002","83.785","0.002","5138.8","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C87.5 H101.5 I8 N10.5 O22.5 Zn4 -","- C87.5 H101.5 I8 N10.5 O22.5 Zn4 -","- C175 H203 I16 N21 O45 Zn8 -","2","1","","Burrows, Andrew D.; Mahon, Mary F.; Raithby, Paul R.; Warren, Anna J.; Teat, Simon J.; Warren, John E.","The effect of carboxylate and N,N′-ditopic ligand lengths on the structures of copper and zinc coordination polymers","CrystEngComm","2012","14","10","3658","","10.1039/c2ce06709a","","","0.7749","Synchrotron","","0.1137","0.0764","","","0.1937","0.221","","","","","","1.021","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207856","15.603","0.0002","11.126","0.0001","29.859","0.0003","90","","90.711","0.001","90","","5183.09","0.1","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H58 Cu N2 O8 -","- C64 H58 Cu N2 O8 -","- C256 H232 Cu4 N8 O32 -","4","0.5","","Burrows, Andrew D.; Mahon, Mary F.; Raithby, Paul R.; Warren, Anna J.; Teat, Simon J.; Warren, John E.","The effect of carboxylate and N,N′-ditopic ligand lengths on the structures of copper and zinc coordination polymers","CrystEngComm","2012","14","10","3658","","10.1039/c2ce06709a","","","0.71073","MoKα","","0.0532","0.0391","","","0.0837","0.0906","","","","","","1.04","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207857","25.733","0.0006","13.582","0.0003","17.299","0.0004","90","","106.939","0.001","90","","5783.8","0.2","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C72 H52 N4 O8 Zn2 -","- C72 H52 N4 O8 Zn2 -","- C288 H208 N16 O32 Zn8 -","4","1","","Burrows, Andrew D.; Mahon, Mary F.; Raithby, Paul R.; Warren, Anna J.; Teat, Simon J.; Warren, John E.","The effect of carboxylate and N,N′-ditopic ligand lengths on the structures of copper and zinc coordination polymers","CrystEngComm","2012","14","10","3658","","10.1039/c2ce06709a","","","0.71073","MoKα","","0.1073","0.0561","","","0.1289","0.1506","","","","","","1.022","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207858","26.786","0.0007","24.706","0.0007","7.437","0.0002","90","","104.858","0.002","90","","4757.1","0.2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H16 I2 N2 O4 Zn -","- C24 H16 I2 N2 O4 Zn -","- C192 H128 I16 N16 O32 Zn8 -","8","1","","Burrows, Andrew D.; Mahon, Mary F.; Raithby, Paul R.; Warren, Anna J.; Teat, Simon J.; Warren, John E.","The effect of carboxylate and N,N′-ditopic ligand lengths on the structures of copper and zinc coordination polymers","CrystEngComm","2012","14","10","3658","","10.1039/c2ce06709a","","","0.71073","MoKα","","0.0965","0.0591","","","0.159","0.1728","","","","","","1.08","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207859","14.749","0.002","14.749","0.002","22.313","0.005","90","","90","","90","","4853.8","1.4","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C39 H38 N6 O27.5 Zn4 -","- C39 H27 N6 O27.5 Zn4 -","- C156 H108 N24 O110 Zn16 -","4","0.5","","He, Jianghong; Zhang, Guangju; Xiao, Dongrong; Chen, Haiyan; Yan, Shiwei; Wang, Xin; Yang, Juan; Wang, Enbo","Helicity controlled by the chirality of amino acid: two novel enantiopure chiral 3D architectures containing fivefold interwoven helices","CrystEngComm","2012","14","10","3609","","10.1039/c2ce25038a","","","0.71073","MoKα","","0.1169","0.0785","","","0.1411","0.1572","","","","","","1.201","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207860","14.672","0.002","14.672","0.002","22.225","0.004","90","","90","","90","","4784.3","1.3","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C39 H38 N6 O27.5 Zn4 -","- C39 H38 N6 O27.5 Zn4 -","- C156 H152 N24 O110 Zn16 -","4","0.5","","He, Jianghong; Zhang, Guangju; Xiao, Dongrong; Chen, Haiyan; Yan, Shiwei; Wang, Xin; Yang, Juan; Wang, Enbo","Helicity controlled by the chirality of amino acid: two novel enantiopure chiral 3D architectures containing fivefold interwoven helices","CrystEngComm","2012","14","10","3609","","10.1039/c2ce25038a","","","0.71073","MoKα","","0.1264","0.0756","","","0.1662","0.1876","","","","","","1.268","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207861","10.1534","0.0013","10.1725","0.0013","11.357","0.0014","114.956","0.001","90.045","0.002","118.918","0.001","899.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H19 Cd N3 O7 -","- C15 H19 Cd N3 O7 -","- C30 H38 Cd2 N6 O14 -","2","1","","Kuai, Hai-Wei; Fan, Jian; Liu, Qing; Sun, Wei-Yin","Structural diversity in imidazole and carboxylate-containing metal complexes dependent on the alkaline reagents","CrystEngComm","2012","14","10","3708","","10.1039/c2ce25062d","","","0.71073","MoKα","","0.0344","0.0324","","","0.0831","0.0843","","","","","","1.005","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207862","10.262","0.004","17.1","0.007","10.488","0.005","90","","119.16","0.005","90","","1607.2","1.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H34 Cd2 N4 O17 -","- C24 H24 Cd2 N4 O17 -","- C48 H48 Cd4 N8 O34 -","2","0.5","","Kuai, Hai-Wei; Fan, Jian; Liu, Qing; Sun, Wei-Yin","Structural diversity in imidazole and carboxylate-containing metal complexes dependent on the alkaline reagents","CrystEngComm","2012","14","10","3708","","10.1039/c2ce25062d","","","0.71073","MoKα","","0.0423","0.0399","","","0.1086","0.1108","","","","","","1.119","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207863","9.1431","0.0007","10.1077","0.0008","15.6537","0.0018","95.19","0.001","91.944","0.001","116.712","0.001","1282.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H42 Cd4 N8 O21 -","- C48 H40 Cd4 N8 O21 -","- C48 H40 Cd4 N8 O21 -","1","0.5","","Kuai, Hai-Wei; Fan, Jian; Liu, Qing; Sun, Wei-Yin","Structural diversity in imidazole and carboxylate-containing metal complexes dependent on the alkaline reagents","CrystEngComm","2012","14","10","3708","","10.1039/c2ce25062d","","","0.71073","MoKα","","0.0533","0.0351","","","0.0578","0.0614","","","","","","0.893","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207864","6.3889","0.0004","11.0946","0.0007","16.6876","0.001","90","","95.688","0.001","90","","1177.03","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 N2 O4 Zn -","- C12 H8 N2 O4 Zn -","- C48 H32 N8 O16 Zn4 -","4","1","","Kuai, Hai-Wei; Fan, Jian; Liu, Qing; Sun, Wei-Yin","Structural diversity in imidazole and carboxylate-containing metal complexes dependent on the alkaline reagents","CrystEngComm","2012","14","10","3708","","10.1039/c2ce25062d","","","0.71073","MoKα","","0.0391","0.0286","","","0.0641","0.0665","","","","","","1.009","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207865","10.1525","0.001","13.559","0.0014","17.9533","0.0019","90","","90","","90","","2471.4","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H10 N2 O5 Zn -","- C12 H10 N2 O5 Zn -","- C96 H80 N16 O40 Zn8 -","8","1","","Kuai, Hai-Wei; Fan, Jian; Liu, Qing; Sun, Wei-Yin","Structural diversity in imidazole and carboxylate-containing metal complexes dependent on the alkaline reagents","CrystEngComm","2012","14","10","3708","","10.1039/c2ce25062d","","","0.71073","MoKα","","0.0404","0.0333","","","0.0881","0.091","","","","","","1.058","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207866","25.264","0.009","7.313","0.003","16.584","0.006","90","","122.616","0.004","90","","2580.8","1.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H40 Ge2 N8 S6 -","- C12 H40 Ge2 N8 S6 -","- C48 H160 Ge8 N32 S24 -","4","0.5","","Liu, Xing; Hu, Feilong; Zhou, Jian; An, Litao; Liang, Dawen; Lin, Jianwu","Solvothermal synthesis, crystal structures and properties of three new thiogermanates: the only example of the thiogermanate anion [Ge2S6]4− as a bridging ligand to a lanthanide complex ion","CrystEngComm","2012","14","10","3464","","10.1039/c2ce25082a","","","0.71073","MoKα","","0.0438","0.038","","","0.0943","0.1035","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207867","11.567","0.005","14.633","0.006","14.465","0.006","90","","96.434","0.004","90","","2432.9","1.8","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H39 Cl Eu Ge N9 S3 -","- C12 H39 Cl Eu Ge N9 S3 -","- C48 H156 Cl4 Eu4 Ge4 N36 S12 -","4","1","","Liu, Xing; Hu, Feilong; Zhou, Jian; An, Litao; Liang, Dawen; Lin, Jianwu","Solvothermal synthesis, crystal structures and properties of three new thiogermanates: the only example of the thiogermanate anion [Ge2S6]4− as a bridging ligand to a lanthanide complex ion","CrystEngComm","2012","14","10","3464","","10.1039/c2ce25082a","","","0.71073","MoKα","","0.0302","0.0278","","","0.0677","0.0694","","","","","","1.035","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207868","19.638","0.004","14.415","0.003","16.91","0.003","90","","122.47","0.03","90","","4038.6","1.9","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H61.5 N12.5 O3 S6 Sn2 Y2 -","- C16 H46 Ge2 N10 O2 S6 Y2 -","- C64 H184 Ge8 N40 O8 S24 Y8 -","4","0.5","","Liu, Xing; Hu, Feilong; Zhou, Jian; An, Litao; Liang, Dawen; Lin, Jianwu","Solvothermal synthesis, crystal structures and properties of three new thiogermanates: the only example of the thiogermanate anion [Ge2S6]4− as a bridging ligand to a lanthanide complex ion","CrystEngComm","2012","14","10","3464","","10.1039/c2ce25082a","","","0.71073","MoKα","","0.1715","0.0726","","","0.1746","0.1976","","","","","","0.853","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207869","31.3656","0.0007","14.1509","0.0006","12.4299","0.0005","90","","99.607","0.003","90","","5439.7","0.3","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C44 H104 N26 Nd2 O78 S8 U4 -","- C44 H88 N26 Nd2 O78 S8 U4 -","- C88 H176 N52 Nd4 O156 S16 U8 -","2","0.25","","Thuéry, Pierre","Uranyl‒lanthanide heterometallic assemblies with 1,2-ethanedisulfonate and cucurbit[6]uril ligands","CrystEngComm","2012","14","10","3363","","10.1039/c2ce25091h","","","0.71073","MoKα","","0.0582","0.0379","","","0.0966","0.1035","","","","","","0.988","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207870","31.1056","0.0012","14.174","0.0003","20.8484","0.0008","90","","93.8479","0.0017","90","","9171.1","0.5","150","2","150","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C42 H86 Dy1.5 N26.5 O66.5 S6 U4 -","- C42 H74 Dy1.5 N26.5 O66.5 S6 U4 -","- C168 H296 Dy6 N106 O266 S24 U16 -","4","0.5","","Thuéry, Pierre","Uranyl‒lanthanide heterometallic assemblies with 1,2-ethanedisulfonate and cucurbit[6]uril ligands","CrystEngComm","2012","14","10","3363","","10.1039/c2ce25091h","","","0.71073","MoKα","","0.0589","0.0399","","","0.1033","0.1098","","","","","","1.026","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207871","31.0881","0.0009","14.1832","0.0003","20.8347","0.0005","90","","93.8691","0.0015","90","","9165.7","0.4","150","2","150","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C42 H86 Er1.5 N26.5 O66.5 S6 U4 -","- C42 H74 Er1.5 N26.5 O66.5 S6 U4 -","- C168 H296 Er6 N106 O266 S24 U16 -","4","0.5","","Thuéry, Pierre","Uranyl‒lanthanide heterometallic assemblies with 1,2-ethanedisulfonate and cucurbit[6]uril ligands","CrystEngComm","2012","14","10","3363","","10.1039/c2ce25091h","","","0.71073","MoKα","","0.0559","0.0373","","","0.0906","0.097","","","","","","1.052","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207872","31.1082","0.0012","14.1633","0.0004","20.7953","0.0008","90","","93.892","0.002","90","","9141.2","0.6","150","2","150","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C42 H86 N26.5 O66.5 S6 U4 Yb1.5 -","- C42 H74 N26.5 O66.5 S6 U4 Yb1.5 -","- C168 H296 N106 O266 S24 U16 Yb6 -","4","0.5","","Thuéry, Pierre","Uranyl‒lanthanide heterometallic assemblies with 1,2-ethanedisulfonate and cucurbit[6]uril ligands","CrystEngComm","2012","14","10","3363","","10.1039/c2ce25091h","","","0.71073","MoKα","","0.0688","0.0428","","","0.1038","0.1119","","","","","","1.031","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207873","11.501","0.002","14.424","0.003","28.959","0.006","90","","90","","90","","4804","1.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H36 N12 Ni4 O24 -","- C40 H36 N12 Ni4 O24 -","- C160 H144 N48 Ni16 O96 -","4","1","","Zheng, Wenxu; Wei, Yongqin; Tian, Chong-bin; Xiao, Xueying; Wu, Kechen","Spontaneous resolution of a homochiral helix built from a tetra-nuclear nickel cluster","CrystEngComm","2012","14","10","3347","","10.1039/c2ce25108f","","","0.71073","MoKα","","0.0536","0.0336","","","0.0376","0.0389","","","","","","0.953","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207874","11.4952","0.0005","14.4352","0.0005","28.9218","0.0014","90","","90","","90","","4799.2","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H36 N12 Ni4 O24 -","- C40 H36 N12 Ni4 O24 -","- C160 H144 N48 Ni16 O96 -","4","1","","Zheng, Wenxu; Wei, Yongqin; Tian, Chong-bin; Xiao, Xueying; Wu, Kechen","Spontaneous resolution of a homochiral helix built from a tetra-nuclear nickel cluster","CrystEngComm","2012","14","10","3347","","10.1039/c2ce25108f","","","0.71073","MoKα","","0.0312","0.0284","","","0.0505","0.0515","","","","","","1.005","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207875","38.6025","0.0014","5.7352","0.0002","6.3225","0.0003","90","","94.318","0.002","90","","1395.78","0.1","295","2","295","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C28 H34 Cu O10 -","- C28 H34 Cu O10 -","- C56 H68 Cu2 O20 -","2","0.5","","Wang, Yong-Tao; Tang, Gui-Mei; Wan, Wen-Zhu; Wu, Yue; Tian, Ting-Cui; Wang, Jin-Hua; He, Chao; Long, Xi-Fa; Wang, Jun-Jie; Ng, Seik Weng","New homochiral ferroelectric supramolecular networks of complexes constructed by chiral S-naproxen ligand","CrystEngComm","2012","14","10","3802","","10.1039/c2ce25138h","","","0.71073","MoKα","","0.0548","0.0498","","","0.131","0.1352","","","","","","1.06","","","","has coordinates,has disorder","180409","2020-10-21","18:00:00",""
"7207876","29.5909","0.0005","7.4519","0.0002","6.2317","0.0001","90","","90.979","0.002","90","","1373.94","0.05","295","2","295","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C28 H32 O9 Zn -","- C28 H32 O9 Zn -","- C56 H64 O18 Zn2 -","2","0.5","","Wang, Yong-Tao; Tang, Gui-Mei; Wan, Wen-Zhu; Wu, Yue; Tian, Ting-Cui; Wang, Jin-Hua; He, Chao; Long, Xi-Fa; Wang, Jun-Jie; Ng, Seik Weng","New homochiral ferroelectric supramolecular networks of complexes constructed by chiral S-naproxen ligand","CrystEngComm","2012","14","10","3802","","10.1039/c2ce25138h","","","0.71073","MoKα","","0.0449","0.0366","","","0.0866","0.1075","","","","","","1.037","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207877","47.055","0.004","6.1619","0.0005","8.4473","0.0007","90","","100.263","0.003","90","","2410.1","0.3","295","2","295","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C28 H28 Cd O7 -","- C28 H28 Cd O7 -","- C112 H112 Cd4 O28 -","4","1","","Wang, Yong-Tao; Tang, Gui-Mei; Wan, Wen-Zhu; Wu, Yue; Tian, Ting-Cui; Wang, Jin-Hua; He, Chao; Long, Xi-Fa; Wang, Jun-Jie; Ng, Seik Weng","New homochiral ferroelectric supramolecular networks of complexes constructed by chiral S-naproxen ligand","CrystEngComm","2012","14","10","3802","","10.1039/c2ce25138h","","","0.71073","MoKα","","0.0253","0.0241","","","0.0593","0.0602","","","","","","1.033","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207878","8.909","0.005","8.91","0.005","20.68","0.005","90.753","0.005","99.662","0.005","99.077","0.005","1596.7","1.3","295","2","295","2","","","","","","","","4","P 1","P 1","1","","","","- C28 H42 Ni O14 -","- C28 H42 Ni O14 -","- C56 H84 Ni2 O28 -","2","2","","Wang, Yong-Tao; Tang, Gui-Mei; Wan, Wen-Zhu; Wu, Yue; Tian, Ting-Cui; Wang, Jin-Hua; He, Chao; Long, Xi-Fa; Wang, Jun-Jie; Ng, Seik Weng","New homochiral ferroelectric supramolecular networks of complexes constructed by chiral S-naproxen ligand","CrystEngComm","2012","14","10","3802","","10.1039/c2ce25138h","","","0.71069","MoKα","","0.1249","0.0812","","","0.2019","0.2288","","","","","","1.256","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207879","28.998","0.012","5.76","0.002","8.162","0.003","90","","92.364","0.005","90","","1362.1","0.9","295","2","295","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C28 H32 Cd O9 -","- C28 H32 Cd O9 -","- C56 H64 Cd2 O18 -","2","0.5","","Wang, Yong-Tao; Tang, Gui-Mei; Wan, Wen-Zhu; Wu, Yue; Tian, Ting-Cui; Wang, Jin-Hua; He, Chao; Long, Xi-Fa; Wang, Jun-Jie; Ng, Seik Weng","New homochiral ferroelectric supramolecular networks of complexes constructed by chiral S-naproxen ligand","CrystEngComm","2012","14","10","3802","","10.1039/c2ce25138h","","","0.71073","MoKα","","0.0518","0.0436","","","0.0984","0.1064","","","","","","1.006","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207880","15.6189","0.0009","11.2218","0.0007","9.7123","0.0006","90","","90","","90","","1702.3","0.18","123","2","123","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H6 Ag2 Cl2 N8 O8 -","- C10 H6 Ag2 Cl2 N8 O8 -","- C40 H24 Ag8 Cl8 N32 O32 -","4","0.5","","Chainok, Kittipong; Neville, Suzanne M.; Forsyth, Craig M.; Gee, William J.; Murray, Keith S.; Batten, Stuart R.","Supramolecular architecture of silver(I) coordination polymers containing polydentate N-donor ligands","CrystEngComm","2012","14","10","3717","","10.1039/c2ce25225b","","","0.71073","MoKα","","0.0429","0.04","","","0.106","0.109","","","1.122","","","1.082","","","","has coordinates,has disorder","180409","2020-10-21","18:00:00",""
"7207881","10.484","0.002","16.466","0.003","18.343","0.004","90","","90","","90","","3166.5","1.1","123","2","123","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C12 H9 Ag Cl N9 O4 -","- C12 H9 Ag Cl N9 O4 -","- C96 H72 Ag8 Cl8 N72 O32 -","8","1","","Chainok, Kittipong; Neville, Suzanne M.; Forsyth, Craig M.; Gee, William J.; Murray, Keith S.; Batten, Stuart R.","Supramolecular architecture of silver(I) coordination polymers containing polydentate N-donor ligands","CrystEngComm","2012","14","10","3717","","10.1039/c2ce25225b","","","0.71073","MoKα","","0.1061","0.0603","","","0.1457","0.176","","","1.008","","","1.009","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7207882","7.5876","0.0003","11.6328","0.0006","13.6088","0.0007","99.735","0.002","99.024","0.002","94.537","0.002","1162.33","0.1","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H11 Ag2 N15 -","- C20 H11 Ag2 N15 -","- C40 H22 Ag4 N30 -","2","1","","Chainok, Kittipong; Neville, Suzanne M.; Forsyth, Craig M.; Gee, William J.; Murray, Keith S.; Batten, Stuart R.","Supramolecular architecture of silver(I) coordination polymers containing polydentate N-donor ligands","CrystEngComm","2012","14","10","3717","","10.1039/c2ce25225b","","","0.71073","MoKα","","0.0247","0.0216","","","0.0529","0.0578","","","","","","1.095","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207883","6.9167","0.0005","8.5461","0.0005","16.9167","0.0012","90","","95.348","0.002","90","","995.61","0.12","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H3 Ag N7 -","- C9 H3 Ag N7 -","- C36 H12 Ag4 N28 -","4","1","","Chainok, Kittipong; Neville, Suzanne M.; Forsyth, Craig M.; Gee, William J.; Murray, Keith S.; Batten, Stuart R.","Supramolecular architecture of silver(I) coordination polymers containing polydentate N-donor ligands","CrystEngComm","2012","14","10","3717","","10.1039/c2ce25225b","","","0.71073","MoKα","","0.0369","0.0318","","","0.1076","0.1168","","","0.941","","","0.941","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207884","8.3748","0.0003","13.6582","0.0005","19.0224","0.0007","74.578","0.002","78.091","0.002","77","0.002","2018.74","0.13","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H8 Ag N7 O3 -","- C12 H8 Ag N7 O3 -","- C72 H48 Ag6 N42 O18 -","6","3","","Chainok, Kittipong; Neville, Suzanne M.; Forsyth, Craig M.; Gee, William J.; Murray, Keith S.; Batten, Stuart R.","Supramolecular architecture of silver(I) coordination polymers containing polydentate N-donor ligands","CrystEngComm","2012","14","10","3717","","10.1039/c2ce25225b","","","0.71073","MoKα","","0.069","0.0589","","","0.1073","0.1113","","","","","","1.251","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207885","18.1292","0.0006","7.8219","0.0002","11.7806","0.0004","90","","121.711","0.001","90","","1421.15","0.08","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 N8 O6 -","- C12 H10 N8 O6 -","- C48 H40 N32 O24 -","4","0.5","","Chainok, Kittipong; Neville, Suzanne M.; Forsyth, Craig M.; Gee, William J.; Murray, Keith S.; Batten, Stuart R.","Supramolecular architecture of silver(I) coordination polymers containing polydentate N-donor ligands","CrystEngComm","2012","14","10","3717","","10.1039/c2ce25225b","","","0.71073","MoKα","","0.0387","0.0356","","","0.0882","0.0912","","","","","","1.094","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207886","16.566","0.015","8.573","0.008","18.719","0.017","90","","101.7","0.02","90","","2603","4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 N4 O12 P2 Zn3 -","- C18 H20 N4 O12 P2 Zn3 -","- C72 H80 N16 O48 P8 Zn12 -","4","1","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","Syntheses, crystal structures, thermal stabilities and luminescence of two metal phosphonates","CrystEngComm","2012","14","10","3478","","10.1039/c2ce25279a","","","0.71073","MoKα","","0.1138","0.088","","","0.2038","0.2228","","","","","","1.074","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207887","8.9939","0.0002","10.8591","0.0005","14.3633","0.0003","88.893","0.006","74.348","0.005","84.146","0.005","1343.69","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H26 N4 O13 P2 Pb3 -","- C18 H26 N4 O13 P2 Pb3 -","- C36 H52 N8 O26 P4 Pb6 -","2","1","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","Syntheses, crystal structures, thermal stabilities and luminescence of two metal phosphonates","CrystEngComm","2012","14","10","3478","","10.1039/c2ce25279a","","","0.71073","MoKα","","0.0331","0.0268","","","0.0484","0.0507","","","","","","1.054","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207941","7.778","0.004","13.275","0.007","16.678","0.008","81.622","0.01","86.283","0.012","88.301","0.014","1699.7","1.5","293.15","","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H31 Cu3 N5 O12 -","- C32 H23 Cu3 N5 O12 -","- C64 H46 Cu6 N10 O24 -","2","1","","Ma, Jie; Jiang, Feilong; Chen, Lian; Wu, Mingyan; Zhang, Shuquan; Xiong, Kecai; Han, Dong; Hong, Maochun","Temperature-controlled reduction of Cu(ii) and structural transformation on the assembly of coordination network","CrystEngComm","2012","14","12","4181","","10.1039/c2ce00004k","","","0.71073","MoKα","","0.0495","0.0412","","","0.1127","0.1206","","","","","","1.046","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207942","23.039","0.002","8.756","0.0006","21.7481","0.0019","90","","109.477","0.005","90","","4136.2","0.6","293.15","","293.15","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C28.5 H22.5 Cu2 N4.5 O13.5 -","- C28.5 H22.5 Cu2 N4.5 O13.5 -","- C114 H90 Cu8 N18 O54 -","4","1","","Ma, Jie; Jiang, Feilong; Chen, Lian; Wu, Mingyan; Zhang, Shuquan; Xiong, Kecai; Han, Dong; Hong, Maochun","Temperature-controlled reduction of Cu(ii) and structural transformation on the assembly of coordination network","CrystEngComm","2012","14","12","4181","","10.1039/c2ce00004k","","","0.71073","MoKα","","0.0785","0.0678","","","0.1918","0.2056","","","","","","1.074","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207943","9.35","0.002","9.826","0.002","26.846","0.007","80.603","0.005","86.257","0.005","75.615","0.005","2356.2","0.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H37 N3 O6 -","- C20 H37 N3 O6 -","- C80 H148 N12 O24 -","4","2","","Maity, Suman Kumar; Maity, Sibaprasad; Jana, Poulami; Haldar, Debasish","Luminescent nanoparticles from tripeptide‒CdS conjugate","CrystEngComm","2012","14","11","4034","","10.1039/c2ce05786g","","","0.71073","MoKα","","0.1415","0.0998","","","0.2467","0.2779","","","","","","1.036","","","","has coordinates,has disorder","180410","2020-10-21","18:00:00",""
"7207944","9.3487","0.0008","24.295","0.003","9.7998","0.0011","90","","102.135","0.003","90","","2176.1","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H33 N3 O6 -","- C18 H33 N3 O6 -","- C72 H132 N12 O24 -","4","1","","Maity, Suman Kumar; Maity, Sibaprasad; Jana, Poulami; Haldar, Debasish","Luminescent nanoparticles from tripeptide‒CdS conjugate","CrystEngComm","2012","14","11","4034","","10.1039/c2ce05786g","","","0.71073","MoKα","","0.0893","0.0601","","","0.1761","0.2076","","","","","","0.867","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207945","10.687","0.002","12.122","0.002","15.549","0.003","90","","90","","90","","2014.3","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H22 F N O -","- C25 H22 F N O -","- C100 H88 F4 N4 O4 -","4","1","","Cardellicchio, Cosimo; Capozzi, Maria Annunziata M.; Alvarez-Larena, Angel; Piniella, Joan F.; Capitelli, Francesco","Investigation on the weak interactions assembling the crystal structures of Betti bases","CrystEngComm","2012","14","11","3972","","10.1039/c2ce06295j","","","0.71073","MoKα","","0.0919","0.0471","","","0.0836","0.0976","","","","","","1.006","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207946","10.6982","0.0008","12.1633","0.0009","15.7632","0.0012","90","","90","","90","","2051.2","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H22 Cl N O -","- C25 H22 Cl N O -","- C100 H88 Cl4 N4 O4 -","4","1","","Cardellicchio, Cosimo; Capozzi, Maria Annunziata M.; Alvarez-Larena, Angel; Piniella, Joan F.; Capitelli, Francesco","Investigation on the weak interactions assembling the crystal structures of Betti bases","CrystEngComm","2012","14","11","3972","","10.1039/c2ce06295j","","","0.71073","MoKα","","0.0922","0.049","","","0.0887","0.102","","","","","","1.015","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207947","10.6828","0.0006","12.1716","0.0007","15.9646","0.0009","90","","90","","90","","2075.8","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H22 Br N O -","- C25 H22 Br N O -","- C100 H88 Br4 N4 O4 -","4","1","","Cardellicchio, Cosimo; Capozzi, Maria Annunziata M.; Alvarez-Larena, Angel; Piniella, Joan F.; Capitelli, Francesco","Investigation on the weak interactions assembling the crystal structures of Betti bases","CrystEngComm","2012","14","11","3972","","10.1039/c2ce06295j","","","0.71073","MoKα","","0.0552","0.0356","","","0.0666","0.0707","","","","","","0.898","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207948","8.2095","0.0005","14.0391","0.0008","19.7711","0.0012","90","","90","","90","","2278.7","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H24 F N O -","- C29 H24 F N O -","- C116 H96 F4 N4 O4 -","4","1","","Cardellicchio, Cosimo; Capozzi, Maria Annunziata M.; Alvarez-Larena, Angel; Piniella, Joan F.; Capitelli, Francesco","Investigation on the weak interactions assembling the crystal structures of Betti bases","CrystEngComm","2012","14","11","3972","","10.1039/c2ce06295j","","","0.71073","MoKα","","0.0662","0.046","","","0.0994","0.108","","","","","","1.032","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207949","10.752","0.0007","13.373","0.0017","16.005","0.003","90","","90","","90","","2301.3","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H24 Cl N O -","- C29 H24 Cl N O -","- C116 H96 Cl4 N4 O4 -","4","1","","Cardellicchio, Cosimo; Capozzi, Maria Annunziata M.; Alvarez-Larena, Angel; Piniella, Joan F.; Capitelli, Francesco","Investigation on the weak interactions assembling the crystal structures of Betti bases","CrystEngComm","2012","14","11","3972","","10.1039/c2ce06295j","","","0.71073","MoKα","","0.1217","0.0579","","","0.0968","0.1191","","","","","","1.062","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207950","10.783","0.0005","13.494","0.0019","15.938","0.002","90","","90","","90","","2319.1","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H24 Br N O -","- C29 H24 Br N O -","- C116 H96 Br4 N4 O4 -","4","1","","Cardellicchio, Cosimo; Capozzi, Maria Annunziata M.; Alvarez-Larena, Angel; Piniella, Joan F.; Capitelli, Francesco","Investigation on the weak interactions assembling the crystal structures of Betti bases","CrystEngComm","2012","14","11","3972","","10.1039/c2ce06295j","","","0.71073","MoKα","","0.1258","0.0517","","","0.1021","0.1264","","","","","","1.088","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207951","15.51","0.003","15.661","0.003","17.891","0.004","90","","90","","90","","4345.8","1.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H25 N O2 -","- C26 H25 N O2 -","- C208 H200 N8 O16 -","8","2","","Cardellicchio, Cosimo; Capozzi, Maria Annunziata M.; Alvarez-Larena, Angel; Piniella, Joan F.; Capitelli, Francesco","Investigation on the weak interactions assembling the crystal structures of Betti bases","CrystEngComm","2012","14","11","3972","","10.1039/c2ce06295j","","","0.71073","MoKα","","0.1532","0.0499","","","0.0849","0.1114","","","","","","0.931","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207952","13.006","0.0013","13.637","0.0014","14.104","0.0015","79.971","0.0017","64.389","0.0015","71.276","0.0015","2134.5","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H33 N2 O18 Zn3 -","- C45 H33 N2 O18 Zn3 -","- C90 H66 N4 O36 Zn6 -","2","1","","Li, Lian-Jie; Qin, Chao; Wang, Xin-Long; Shao, Kui-Zhan; Su, Zhong-Min; Liu, Peng-Jun","Synthesis and characterization of two self-catenated networks and one case of pcu topology based on the mixed ligands","CrystEngComm","2012","14","12","4205","","10.1039/c2ce06451k","","","0.71069","MoKα","","0.1262","0.0629","","","0.126","0.1682","","","","","","1.065","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207953","10.005","0.002","11.303","0.003","12.206","0.003","100.797","0.003","107.308","0.004","98.944","0.004","1261.2","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H24 Cd N4 O6 -","- C28 H24 Cd N4 O6 -","- C56 H48 Cd2 N8 O12 -","2","1","","Li, Lian-Jie; Qin, Chao; Wang, Xin-Long; Shao, Kui-Zhan; Su, Zhong-Min; Liu, Peng-Jun","Synthesis and characterization of two self-catenated networks and one case of pcu topology based on the mixed ligands","CrystEngComm","2012","14","12","4205","","10.1039/c2ce06451k","","","0.71069","MoKα","","0.0864","0.0558","","","0.1265","0.1411","","","","","","1.002","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207954","9.361","0.0019","12.713","0.0019","12.755","0.003","111.843","0.002","105.938","0.002","97.104","0.002","1310.7","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 Cd N4 O8 -","- C26 H20 Cd N4 O8 -","- C52 H40 Cd2 N8 O16 -","2","1","","Li, Lian-Jie; Qin, Chao; Wang, Xin-Long; Shao, Kui-Zhan; Su, Zhong-Min; Liu, Peng-Jun","Synthesis and characterization of two self-catenated networks and one case of pcu topology based on the mixed ligands","CrystEngComm","2012","14","12","4205","","10.1039/c2ce06451k","","","0.71069","MoKα","","0.1223","0.0611","","","0.0947","0.1074","","","","","","1.007","","","","has coordinates,has disorder","180410","2020-10-21","18:00:00",""
"7207955","39.477","0.012","21.751","0.006","26.908","0.015","90","","131.554","0.002","90","","17290","12","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C138 H132 Cl Cs N64 O59 -","- C138 H132 Cl Cs N64 O59 -","- C552 H528 Cl4 Cs4 N256 O236 -","4","0.5","","Chen, Kai; Liang, Li-Li; Cong, Hang; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu","p-Hydroxybenzoic acid-induced formation of a novel framework based on direct coordination of caesium ions to cucurbit[8]uril","CrystEngComm","2012","14","11","3862","","10.1039/c2ce06505c","","","0.71073","MoKα","","0.1334","0.1089","","","0.3201","0.3432","","","","","","1.377","","","","has coordinates,has disorder","180410","2020-10-21","18:00:00",""
"7207956","12.9555","0.0002","22.6337","0.0004","20.6389","0.0004","90","","94.147","0.002","90","","6036.12","0.18","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H46 N19 O23 Tb -","- C60 H42 N19 O23 Tb -","- C240 H168 N76 O92 Tb4 -","4","1","","Li, Kang; Liu, Yu; Yan, Cheng; Fu, Lei; Wei, Shi-Chao; Wang, Hai-Ping; Pan, Mei; Su, Cheng-Yong","Cocrystallization of coordinative and inorganic lanthanide centers showing dual emission via linked or unlinked antenna","CrystEngComm","2012","14","11","3868","","10.1039/c2ce06605j","","","0.71073","MoKα","","0.0421","0.0352","","","0.0816","0.0855","","","","","","1.015","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207957","19.5224","0.0003","19.5224","0.0003","8.4283","0.0002","90","","90","","120","","2781.87","0.09","150","2","150","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C16 H16.33 N5.83 O5.17 Tb0.5 -","- C16 H15 N5.83333 O5.16667 Tb0.5 -","- C96 H90 N35 O31 Tb3 -","6","1","","Li, Kang; Liu, Yu; Yan, Cheng; Fu, Lei; Wei, Shi-Chao; Wang, Hai-Ping; Pan, Mei; Su, Cheng-Yong","Cocrystallization of coordinative and inorganic lanthanide centers showing dual emission via linked or unlinked antenna","CrystEngComm","2012","14","11","3868","","10.1039/c2ce06605j","","","1.54178","CuKα","","0.0491","0.0425","","","0.114","0.118","","","","","","0.914","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207958","17.3716","0.0006","17.3716","0.0006","39.5287","0.0016","90","","90","","120","","10330.5","0.7","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C48 H52 Eu2 N19 O21.5 -","- C48 H45 Eu2 N19 O21.51 -","- C288 H270 Eu12 N114 O129.06 -","6","0.333333","","Li, Kang; Liu, Yu; Yan, Cheng; Fu, Lei; Wei, Shi-Chao; Wang, Hai-Ping; Pan, Mei; Su, Cheng-Yong","Cocrystallization of coordinative and inorganic lanthanide centers showing dual emission via linked or unlinked antenna","CrystEngComm","2012","14","11","3868","","10.1039/c2ce06605j","","","1.54178","CuKα","","0.0948","0.0838","","","0.207","0.2139","","","","","","1.067","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207959","12.986","0.0002","22.6333","0.0004","20.6359","0.0003","90","","94.335","0.002","90","","6047.87","0.17","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H46 Eu N19 O23 -","- C60 H42 Eu N19 O23 -","- C240 H168 Eu4 N76 O92 -","4","1","","Li, Kang; Liu, Yu; Yan, Cheng; Fu, Lei; Wei, Shi-Chao; Wang, Hai-Ping; Pan, Mei; Su, Cheng-Yong","Cocrystallization of coordinative and inorganic lanthanide centers showing dual emission via linked or unlinked antenna","CrystEngComm","2012","14","11","3868","","10.1039/c2ce06605j","","","0.71073","MoKα","","0.0441","0.0361","","","0.0814","0.0857","","","","","","1.032","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207960","19.5543","0.0004","19.5543","0.0004","8.4847","0.0003","90","","90","","120","","2809.65","0.13","150","2","150","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C16 H16.33 Eu0.5 N5.83 O5.17 -","- C16 H15 Eu0.5 N5.83333 O5.16667 -","- C96 H90 Eu3 N35 O31 -","6","1","","Li, Kang; Liu, Yu; Yan, Cheng; Fu, Lei; Wei, Shi-Chao; Wang, Hai-Ping; Pan, Mei; Su, Cheng-Yong","Cocrystallization of coordinative and inorganic lanthanide centers showing dual emission via linked or unlinked antenna","CrystEngComm","2012","14","11","3868","","10.1039/c2ce06605j","","","1.54178","CuKα","","0.1286","0.1237","","","0.2792","0.2821","","","","","","1.103","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207961","17.3754","0.0007","17.3754","0.0007","39.4344","0.0019","90","","90","","120","","10310.4","0.8","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C48 H52 N19 O21.5 Tb2 -","- C48 H40.5 N19 O21.5 Tb2 -","- C288 H243 N114 O129 Tb12 -","6","0.333333","","Li, Kang; Liu, Yu; Yan, Cheng; Fu, Lei; Wei, Shi-Chao; Wang, Hai-Ping; Pan, Mei; Su, Cheng-Yong","Cocrystallization of coordinative and inorganic lanthanide centers showing dual emission via linked or unlinked antenna","CrystEngComm","2012","14","11","3868","","10.1039/c2ce06605j","","","1.54178","CuKα","","0.0948","0.0732","","","0.1825","0.1936","","","","","","1.087","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207962","11.1502","0.0003","13.5449","0.0002","14.6921","0.0002","113.808","0.001","101.505","0.001","100.238","0.001","1904.99","0.07","151","2","151","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H31 N6 Ni O7 -","- C44 H31 N6 Ni O7 -","- C88 H62 N12 Ni2 O14 -","2","1","","Ke, Chun-Hung; Lee, Hon Man","Nickel coordination polymers with {48.62} and bnn topologies constructed from common square-pyramidal 5-connected nodes","CrystEngComm","2012","14","12","4157","","10.1039/c2ce06634c","","x-ray","0.71073","MoKα","","0.0571","0.0464","","","0.1122","0.1216","","","","","","0.975","","","","has coordinates,has disorder","180410","2020-10-21","18:00:00",""
"7207963","9.2237","0.0018","11.182","0.002","19.434","0.005","99.623","0.018","94.382","0.019","114.218","0.012","1778.7","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H56 N12 Ni2 O17 S2 -","- C76 H56 N12 Ni2 O17 S2 -","- C76 H56 N12 Ni2 O17 S2 -","1","0.5","","Ke, Chun-Hung; Lee, Hon Man","Nickel coordination polymers with {48.62} and bnn topologies constructed from common square-pyramidal 5-connected nodes","CrystEngComm","2012","14","12","4157","","10.1039/c2ce06634c","","x-ray","0.71073","MoKα","","0.1226","0.057","","","0.129","0.1592","","","","","","0.938","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207964","19.3929","0.001","12.5914","0.0006","7.589","0.0003","90","","107.013","0.002","90","","1772.02","0.14","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H2 Cu2 N2 O5 -","- C6 H2 Cu2 N2 O5 -","- C48 H16 Cu16 N16 O40 -","8","1","","Mohapatra, Sudip; Sato, Hiroshi; Matsuda, Ryotaro; Kitagawa, Susumu; Maji, Tapas Kumar","Highly rigid and stable porous Cu(i) metal‒organic framework with reversible single-crystal-to-single-crystal structural transformation","CrystEngComm","2012","14","12","4153","","10.1039/c2ce06701c","","","0.71073","MoKα","","0.0918","0.0697","","","0.1771","0.1991","","","","","","0.997","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207965","19.3848","0.0004","12.5209","0.0002","7.7134","0.0002","90","","107.822","0.001","90","","1782.32","0.07","455","2","455","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H2 Cu2 N2 O4 -","- C6 H2 Cu2 N2 O4 -","- C48 H16 Cu16 N16 O32 -","8","1","","Mohapatra, Sudip; Sato, Hiroshi; Matsuda, Ryotaro; Kitagawa, Susumu; Maji, Tapas Kumar","Highly rigid and stable porous Cu(i) metal‒organic framework with reversible single-crystal-to-single-crystal structural transformation","CrystEngComm","2012","14","12","4153","","10.1039/c2ce06701c","","","0.71073","MoKα","","0.0942","0.0764","","","0.1746","0.1834","","","","","","1.578","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207966","19.4082","0.0004","12.5929","0.0002","7.5885","0.0002","90","","107.034","0.001","90","","1773.31","0.07","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H2 Cu2 N2 O4.83 -","- C6 H2 Cu2 N2 O4.83 -","- C48 H16 Cu16 N16 O38.64 -","8","1","","Mohapatra, Sudip; Sato, Hiroshi; Matsuda, Ryotaro; Kitagawa, Susumu; Maji, Tapas Kumar","Highly rigid and stable porous Cu(i) metal‒organic framework with reversible single-crystal-to-single-crystal structural transformation","CrystEngComm","2012","14","12","4153","","10.1039/c2ce06701c","","","0.71073","MoKα","","0.0813","0.0695","","","0.1625","0.1714","","","","","","1.086","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207967","11.3426","0.0002","9.4653","0.0002","11.4987","0.0003","90","","102.212","0.002","90","","1206.58","0.05","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 Cl N2 O8 -","- C9 H9 Cl N2 O7.812 -","- C36 H36 Cl4 N8 O31.248 -","4","1","","Yong, Guo-Ping; Zhang, Yi-Man; She, Wen-Long","Anion‒π interactions in new electron-deficient π systems: the relevance to solid phosphorescent colors","CrystEngComm","2012","14","11","3923","","10.1039/c2ce06702a","","","1.54184","CuKα","","0.084","0.0832","","","0.2127","0.2133","","","","","","1.064","","","","has coordinates,has disorder","180410","2020-10-21","18:00:00",""
"7207968","8.1069","0.0016","9.2546","0.0019","9.999","0.002","64.91","0.03","74.11","0.03","69.67","0.03","630","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H13 Cl N2 O5 -","- C10 H10 Cl N2 O5 -","- C20 H20 Cl2 N4 O10 -","2","1","","Yong, Guo-Ping; Zhang, Yi-Man; She, Wen-Long","Anion‒π interactions in new electron-deficient π systems: the relevance to solid phosphorescent colors","CrystEngComm","2012","14","11","3923","","10.1039/c2ce06702a","","","0.71073","MoKα","","0.0842","0.0775","","","0.1904","0.1946","","","","","","1.079","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207969","6.8215","0.0014","11.724","0.002","11.57","0.002","90","","103.04","0.03","90","","901.5","0.3","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C18 H15 Cl N4 O7 -","- C18 H14 Cl N4 O7 -","- C36 H28 Cl2 N8 O14 -","2","0.5","","Yong, Guo-Ping; Zhang, Yi-Man; She, Wen-Long","Anion‒π interactions in new electron-deficient π systems: the relevance to solid phosphorescent colors","CrystEngComm","2012","14","11","3923","","10.1039/c2ce06702a","","","0.71073","MoKα","","0.2046","0.1628","","","0.4625","0.4937","","","","","","1.698","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207970","25.804","0.004","9.7779","0.0006","18.861","0.01","90","","136.399","0.012","90","","3282","2","296","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H36 N8 O9 Zn -","- C30 H36 N8 O9 Zn -","- C120 H144 N32 O36 Zn4 -","4","0.5","","Ji, Can; Li, Bo; Ma, Ming-Li; Zang, Shuang-Quan; Hou, Hong-Wei; Mak, Thomas C. W.","A series of five divalent zinc and cadmium coordination polymers based on a new bifunctional ligand: syntheses, crystal structures, and properties","CrystEngComm","2012","14","11","3951","","10.1039/c2ce06720j","","","0.71073","MoKα","","0.0797","0.0681","","","0.2273","0.2404","","","","","","1.091","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207971","25.876","0.008","9.8293","0.0008","17.814","0.003","90","","133.12","0.03","90","","3307","2","296","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H36 Cd N8 O9 -","- C30 H36 Cd N8 O9 -","- C120 H144 Cd4 N32 O36 -","4","0.5","","Ji, Can; Li, Bo; Ma, Ming-Li; Zang, Shuang-Quan; Hou, Hong-Wei; Mak, Thomas C. W.","A series of five divalent zinc and cadmium coordination polymers based on a new bifunctional ligand: syntheses, crystal structures, and properties","CrystEngComm","2012","14","11","3951","","10.1039/c2ce06720j","","","0.71073","MoKα","","0.0412","0.0344","","","0.0889","0.0923","","","","","","1.063","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207972","12.5528","0.0006","10.2544","0.0004","15.8665","0.0011","90","","120.961","0.004","90","","1751.36","0.18","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 Cl2 N8 O7 Zn2 -","- C30 H32 Cl2 N8 O7 Zn2 -","- C60 H64 Cl4 N16 O14 Zn4 -","2","0.5","","Ji, Can; Li, Bo; Ma, Ming-Li; Zang, Shuang-Quan; Hou, Hong-Wei; Mak, Thomas C. W.","A series of five divalent zinc and cadmium coordination polymers based on a new bifunctional ligand: syntheses, crystal structures, and properties","CrystEngComm","2012","14","11","3951","","10.1039/c2ce06720j","","","0.71073","MoKα","","0.046","0.0366","","","0.0841","0.088","","","","","","1.037","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207973","8.8844","0.0004","10.4799","0.0005","17.2726","0.0007","90","","98.368","0.004","90","","1591.09","0.12","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C15 H13 Cd Cl N4 O2 -","- C15 H13 Cd Cl N4 O2 -","- C60 H52 Cd4 Cl4 N16 O8 -","4","1","","Ji, Can; Li, Bo; Ma, Ming-Li; Zang, Shuang-Quan; Hou, Hong-Wei; Mak, Thomas C. W.","A series of five divalent zinc and cadmium coordination polymers based on a new bifunctional ligand: syntheses, crystal structures, and properties","CrystEngComm","2012","14","11","3951","","10.1039/c2ce06720j","","","0.71073","MoKα","","0.0767","0.0515","","","0.0751","0.0778","","","","","","2.137","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207974","21.3069","0.0015","10.2826","0.0007","17.8765","0.0012","90","","99.143","0.007","90","","3866.8","0.5","296","","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H16 Cd N4 O4 -","- C21 H16 Cd N4 O4 -","- C168 H128 Cd8 N32 O32 -","8","1","","Ji, Can; Li, Bo; Ma, Ming-Li; Zang, Shuang-Quan; Hou, Hong-Wei; Mak, Thomas C. W.","A series of five divalent zinc and cadmium coordination polymers based on a new bifunctional ligand: syntheses, crystal structures, and properties","CrystEngComm","2012","14","11","3951","","10.1039/c2ce06720j","","","0.71073","MoKα","","0.0517","0.0338","","","0.0656","0.0716","","","","","","1.041","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207975","9.96","0.004","13.429","0.006","19.779","0.007","90","","111.794","0.017","90","","2456.4","1.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 Cd N5 O6 -","- C26 H21 Cd N5 O6 -","- C104 H84 Cd4 N20 O24 -","4","1","","Wang, Xiu-Li; Hou, Li-Li; Zhang, Ju-Wen; Zhang, Jin-Xia; Liu, Guo-Cheng; Yang, Song","Assembly and properties of coordination polymers modulated by substituted 1,3-benzenedicarboxylates","CrystEngComm","2012","14","11","3936","","10.1039/c2ce06734j","","","0.71073","MoKα","","0.0647","0.0469","","","0.1585","0.1856","","","","","","1.174","","","","has coordinates","201370","2020-10-21","18:00:00",""
"7207976","18.181","0.005","22.175","0.005","18.45","0.005","90","","90","","90","","7438","3","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C70 H72 Cd3 N12 O20 S2 -","- C70 H60 Cd3 N12 O20 S2 -","- C280 H240 Cd12 N48 O80 S8 -","4","1","","Wang, Xiu-Li; Hou, Li-Li; Zhang, Ju-Wen; Zhang, Jin-Xia; Liu, Guo-Cheng; Yang, Song","Assembly and properties of coordination polymers modulated by substituted 1,3-benzenedicarboxylates","CrystEngComm","2012","14","11","3936","","10.1039/c2ce06734j","","","0.71069","MoKα","","0.0538","0.0426","","","0.1208","0.1288","","","","","","1.021","","","","has coordinates","201370","2020-10-21","18:00:00",""
"7207977","45.497","0.002","10.5235","0.0005","19.09","0.0009","90","","99.969","0.001","90","","9002.1","0.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C88 H88 Co3 N16 O18 S2 -","- C88 H82 Co3 N16 O18 S2 -","- C352 H328 Co12 N64 O72 S8 -","4","0.5","","Wang, Xiu-Li; Hou, Li-Li; Zhang, Ju-Wen; Zhang, Jin-Xia; Liu, Guo-Cheng; Yang, Song","Assembly and properties of coordination polymers modulated by substituted 1,3-benzenedicarboxylates","CrystEngComm","2012","14","11","3936","","10.1039/c2ce06734j","","","0.71073","MoKα","","0.0616","0.04","","","0.1016","0.1096","","","","","","1.09","","","","has coordinates","201370","2020-10-21","18:00:00",""
"7207978","9.3568","0.0008","15.2796","0.0014","9.5459","0.0009","90","","116.517","0.001","90","","1221.19","0.19","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C26 H24 Co N4 O5 -","- C26 H22 Co N4 O5 -","- C52 H44 Co2 N8 O10 -","2","0.5","","Wang, Xiu-Li; Hou, Li-Li; Zhang, Ju-Wen; Zhang, Jin-Xia; Liu, Guo-Cheng; Yang, Song","Assembly and properties of coordination polymers modulated by substituted 1,3-benzenedicarboxylates","CrystEngComm","2012","14","11","3936","","10.1039/c2ce06734j","","","0.71073","MoKα","","0.036","0.0301","","","0.0785","0.0817","","","","","","1.082","","","","has coordinates,has disorder","201370","2020-10-21","18:00:00",""
"7207979","13.419","0.003","14.427","0.003","10.793","0.002","90","","90.773","0.003","90","","2089.3","0.7","123","2","123","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C19 H26 Ag N5 O4 -","- C19 H26 Ag N5 O4 -","- C76 H104 Ag4 N20 O16 -","4","1","","Cheng, Lin; Zhang, Limin; Gou, Shaohua; Cao, Qingna; Wang, Jianquan; Fang, Lei","Metal-directed one-dimensional chiral zigzag chains and right-handed 61 helix with multiple chiral components: luminescence and NLO properties","CrystEngComm","2012","14","11","3888","","10.1039/c2ce25043h","","","0.71073","MoKα","","0.047","0.0457","","","0.1252","0.1264","","","","","","1.138","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207980","13.9773","0.0008","13.9773","0.0008","18.263","0.002","90","","90","","120","","3089.9","0.4","293","2","293","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C9 H13 Cu0.5 N2.5 O2 -","- C9 H13 Cu0.5 N2.5 O2 -","- C108 H156 Cu6 N30 O24 -","12","1","","Cheng, Lin; Zhang, Limin; Gou, Shaohua; Cao, Qingna; Wang, Jianquan; Fang, Lei","Metal-directed one-dimensional chiral zigzag chains and right-handed 61 helix with multiple chiral components: luminescence and NLO properties","CrystEngComm","2012","14","11","3888","","10.1039/c2ce25043h","","","0.71073","MoKα","","0.0515","0.0421","","","0.1163","0.1258","","","","","","1.094","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207981","11.4823","0.0005","13.8691","0.0007","11.8073","0.0006","90","","113.293","0.0014","90","","1727.04","0.15","100","","100","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C14 H11 O8 S4 -","- C14 H11 O8 S4 -","- C56 H44 O32 S16 -","4","1","","Jayanty, Subbalakshmi; Akutagawa, Tomoyuki; Nakamura, Takayoshi","Hydrogen-bonded maleate counter anions in tetrathiafulvalene crystals","CrystEngComm","2012","14","11","3875","","10.1039/c2ce25050k","","","0.71075","MoKα","","","0.0238","","","","0.0623","","","","","","1.055","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207982","10.9021","0.0005","29.581","0.0011","12.2738","0.0007","90","","94.688","0.0016","90","","3945","0.3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H26 O14 S12 -","- C31 H21 O14 S12 -","- C124 H84 O56 S48 -","4","1","","Jayanty, Subbalakshmi; Akutagawa, Tomoyuki; Nakamura, Takayoshi","Hydrogen-bonded maleate counter anions in tetrathiafulvalene crystals","CrystEngComm","2012","14","11","3875","","10.1039/c2ce25050k","","","0.71075","MoKα","","","0.0542","","","","0.0785","","","","","","1.074","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207983","12.084","0.003","20.891","0.004","15.674","0.004","90","","103.294","0.01","90","","3850.8","1.6","100","","100","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C60 H41 O12 S32 -","- C60 H38 O12 S32 -","- C120 H76 O24 S64 -","2","0.5","","Jayanty, Subbalakshmi; Akutagawa, Tomoyuki; Nakamura, Takayoshi","Hydrogen-bonded maleate counter anions in tetrathiafulvalene crystals","CrystEngComm","2012","14","11","3875","","10.1039/c2ce25050k","","","0.71075","MoKα","","","0.0319","","","","0.0815","","","","","","1.041","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207984","25.361","0.005","7.8374","0.0016","12.844","0.003","90","","90","","90","","2552.9","0.9","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C16 H8 N16 O6 Pb4 -","- C16 H8 N16 O6 Pb4 -","- C64 H32 N64 O24 Pb16 -","4","1","","Sun, Jiayin; Zhang, Daojun; Wang, Li; Cao, Yu; Li, Da; Zhang, Liying; Song, Wei; Fan, Yong; Xu, Jianing","Two novel lead(ii)-tetrazolate frameworks based on cubane [Pb4(OH)4]4+ clusters trapping long lifetime luminescence emission","CrystEngComm","2012","14","11","3982","","10.1039/c2ce25078k","","","0.71073","MoKα","","0.0341","0.0306","","","0.0643","0.0659","","","","","","1.044","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207985","13.4523","0.001","13.4523","0.001","14.525","0.0014","90","","90","","90","","2628.5","0.4","293","2","293","2","","","","","","","","5","P 42/m b c","-P 4c 2ab","135","","","","- C16 H12 N16 O6 Pb4 -","- C16 H12 N16 O6 Pb4 -","- C64 H48 N64 O24 Pb16 -","4","0.25","","Sun, Jiayin; Zhang, Daojun; Wang, Li; Cao, Yu; Li, Da; Zhang, Liying; Song, Wei; Fan, Yong; Xu, Jianing","Two novel lead(ii)-tetrazolate frameworks based on cubane [Pb4(OH)4]4+ clusters trapping long lifetime luminescence emission","CrystEngComm","2012","14","11","3982","","10.1039/c2ce25078k","","","0.71073","MoKα","","0.0927","0.0471","","","0.1109","0.1338","","","","","","1.072","","","","has coordinates","212110","2020-10-21","18:00:00",""
"7207986","9.0277","0.0005","12.4356","0.0006","13.0643","0.0009","76.319","0.004","80.802","0.004","68.89","0.003","1324.9","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H14 I8 N2 Pb3 -","- C6 H12 I8 N2 Pb3 -","- C12 H24 I16 N4 Pb6 -","2","1","","Hou, Qin; Bai, Fu-Quan; Jia, Ming-Jun; Jin, Juan; Yu, Jie-Hui; Xu, Ji-Qing","New organically templated chained and layered iodoplumbates","CrystEngComm","2012","14","11","4000","","10.1039/c2ce25102g","","","0.71073","MoKα","","0.1093","0.0667","","","0.1793","0.2149","","","","","","0.972","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207987","7.9629","0.0003","14.8833","0.0006","21.0907","0.001","90","","96.165","0.003","90","","2485.09","0.18","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H22 I6 N2 O Pb2 -","- C8 H18 I6 N2 O Pb2 -","- C32 H72 I24 N8 O4 Pb8 -","4","1","","Hou, Qin; Bai, Fu-Quan; Jia, Ming-Jun; Jin, Juan; Yu, Jie-Hui; Xu, Ji-Qing","New organically templated chained and layered iodoplumbates","CrystEngComm","2012","14","11","4000","","10.1039/c2ce25102g","","","0.71073","MoKα","","0.0877","0.0447","","","0.1177","0.1364","","","","","","1.037","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207988","8.8807","0.0005","11.655","0.0007","14.2611","0.001","108.705","0.004","95.269","0.004","92.523","0.004","1387.99","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H26 I6 N2 O Pb2 -","- C10 H22 I6 N2 O Pb2 -","- C20 H44 I12 N4 O2 Pb4 -","2","1","","Hou, Qin; Bai, Fu-Quan; Jia, Ming-Jun; Jin, Juan; Yu, Jie-Hui; Xu, Ji-Qing","New organically templated chained and layered iodoplumbates","CrystEngComm","2012","14","11","4000","","10.1039/c2ce25102g","","","0.71073","MoKα","","0.1045","0.0476","","","0.0827","0.0935","","","","","","1.028","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207989","7.977","","8.818","","15.252","","88.62","","79.86","","76.96","","1028.72","","200","2","200","2","","","","","","","","5","P -1","-P 1","2","nictotinic acid monoethylene glycol monomethyl ether silver nitrate","","","- C18 H22 Ag N3 O9 -","- C18 H22 Ag N3 O9 -","- C36 H44 Ag2 N6 O18 -","2","1","","Gschwind, Fabienne; Fromm, Katharina M.","Effect of increasing ligand length on the structure of silver complexes","CrystEngComm","2012","14","11","4008","","10.1039/c2ce25110h","","","0.71073","MoKα","","0.1905","0.1445","","","0.3917","0.4215","","","","","","1","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207990","12.512","0.003","14.026","0.003","18.4","0.004","90","","90.63","0.03","90","","3228.9","1.3","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Triethylene glycol monomethyl ether nicotinate silver hexafluorophosphat","","","- C26 H38 Ag F6 N2 O10 P -","- C26 H38 Ag F6 N2 O10 P -","- C104 H152 Ag4 F24 N8 O40 P4 -","4","0.5","","Gschwind, Fabienne; Fromm, Katharina M.","Effect of increasing ligand length on the structure of silver complexes","CrystEngComm","2012","14","11","4008","","10.1039/c2ce25110h","","x-ray","0.71073","mokα","","0.0563","0.044","","","0.1039","0.1095","","","","","","1.079","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207991","8.6012","0.0017","9.789","0.002","15.478","0.003","80.6","0.03","85.47","0.03","66.02","0.03","1174.6","0.5","200","2","200","2","","","","","","","","7","P -1","-P 1","2","monoethylene glycol monomethylether silver triflate","","","- C19 H22 Ag F3 N2 O9 S -","- C19 H22 Ag F3 N2 O9 S -","- C38 H44 Ag2 F6 N4 O18 S2 -","2","1","","Gschwind, Fabienne; Fromm, Katharina M.","Effect of increasing ligand length on the structure of silver complexes","CrystEngComm","2012","14","11","4008","","10.1039/c2ce25110h","","","0.71073","MoKα","","0.0286","0.0235","","","0.054","0.0559","","","","","","1.034","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207992","6.9425","0.0014","14.521","0.003","15.221","0.003","65.67","0.03","85.39","0.03","89.13","0.03","1393.4","0.6","200","2","200","2","","","","","","","","7","P -1","-P 1","2","silver triflatre monomethyl diethylene glycol","","","- C23 H30 Ag F3 N2 O11 S -","- C23 H30 Ag F3 N2 O11 S -","- C46 H60 Ag2 F6 N4 O22 S2 -","2","1","","Gschwind, Fabienne; Fromm, Katharina M.","Effect of increasing ligand length on the structure of silver complexes","CrystEngComm","2012","14","11","4008","","10.1039/c2ce25110h","","x-ray","0.71073","MoKα","","0.1489","0.1309","","","0.3167","0.3281","","","","","","1.152","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207993","21.783","0.006","11.251","0.002","15.826","0.004","90","","130.55","0.004","90","","2947.1","1.2","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H15 N3 O8.5 Zn -","- C11 H15 N3 O8.5 Zn -","- C88 H120 N24 O68 Zn8 -","8","1","","Cui, Yan-Feng; Sun, Peng-Peng; Chen, Qian; Li, Bao-Long; Li, Hai-Yan","An unusual three-dimensional coordination network formed by parallel polythreading of two-fold polycatenated (6,3) layers","CrystEngComm","2012","14","12","4161","","10.1039/c2ce25113b","","","0.71075","MoKα","","0.0781","0.0533","","","0.0944","0.1032","","","","","","1.095","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207994","11.1937","0.0005","9.8578","0.0002","20.458","0.0009","90","","91.604","0.002","90","","2256.56","0.15","150","","150","","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C16 H48 Cu2 I5 O8 S8 Tb -","- C16 H48 Cu2 I5 O8 S8 Tb -","- C32 H96 Cu4 I10 O16 S16 Tb2 -","2","0.5","","Mishra, Shashank; Jeanneau, Erwann; Ledoux, Gilles; Daniele, Stéphane","Solid-state structural transformations in metal organic-inorganic hybrids constructed from terbium(iii) complexes and iodocuprate clusters","CrystEngComm","2012","14","11","3894","","10.1039/c2ce25120e","","","0.71069","MoKα","","0.0669","0.0512","","0.1631","0.1348","0.1631","","","","","","0.9636","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207995","11.0023","0.0002","12.948","0.0002","17.0582","0.00029","79.5186","0.0011","73.0295","0.0011","73.5139","0.001","2215.66","0.07","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H56 Cu I4 N8 O8 Tb -","- C24 H56 Cu I4 N8 O8 Tb -","- C48 H112 Cu2 I8 N16 O16 Tb2 -","2","1","","Mishra, Shashank; Jeanneau, Erwann; Ledoux, Gilles; Daniele, Stéphane","Solid-state structural transformations in metal organic-inorganic hybrids constructed from terbium(iii) complexes and iodocuprate clusters","CrystEngComm","2012","14","11","3894","","10.1039/c2ce25120e","","","0.71069","MoKα","","0.0387","0.0292","","0.0748","0.0625","0.0748","","","","","","0.9046","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207996","10.8626","0.0005","11.9515","0.0005","18.3798","0.0008","86.195","0.003","87.561","0.003","87.005","0.003","2375.8","0.18","110","","110","","","","","","","","","7","P -1","-P 1","2","","","","- C18 H54 Cu I4 O9 S9 Tb -","- C18 H54 Cu I4 O9 S9 Tb -","- C36 H108 Cu2 I8 O18 S18 Tb2 -","2","1","","Mishra, Shashank; Jeanneau, Erwann; Ledoux, Gilles; Daniele, Stéphane","Solid-state structural transformations in metal organic-inorganic hybrids constructed from terbium(iii) complexes and iodocuprate clusters","CrystEngComm","2012","14","11","3894","","10.1039/c2ce25120e","","","0.7107","MoKα","","0.0596","0.0519","","0.111","0.1004","0.111","","","","","","1.0253","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207997","19.474","0.001","18.597","0.001","12.222","0.002","90","","90","","90","","4426.3","0.8","110","","110","","","","","","","","","6","P b n a","-P 2ac 2b","60","","","","- C16 H48 I5 O8 S8 Tb -","- C16 H48 I5 O8 S8 Tb -","- C64 H192 I20 O32 S32 Tb4 -","4","0.5","","Mishra, Shashank; Jeanneau, Erwann; Ledoux, Gilles; Daniele, Stéphane","Solid-state structural transformations in metal organic-inorganic hybrids constructed from terbium(iii) complexes and iodocuprate clusters","CrystEngComm","2012","14","11","3894","","10.1039/c2ce25120e","","","0.7107","MoKα","","0.1141","0.1006","","0.1739","0.1689","0.1739","","","","","","1.0551","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207998","13.83","0.02","13.83","0.02","61.5","0.4","90","","90","","120","","10187","7","150","","150","","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C18 H48 Cu9 I14 N6 O9 Tb -","- C18 H48 Cu9 I14 N6 O9 Tb -","- C108 H288 Cu54 I84 N36 O54 Tb6 -","6","0.166667","","Mishra, Shashank; Jeanneau, Erwann; Ledoux, Gilles; Daniele, Stéphane","Solid-state structural transformations in metal organic-inorganic hybrids constructed from terbium(iii) complexes and iodocuprate clusters","CrystEngComm","2012","14","11","3894","","10.1039/c2ce25120e","","","0.71069","MoKα","","0.1156","0.0632","","0.1363","0.0709","0.0671","","","","","","1.093","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207999","13.6447","0.0017","7.2706","0.0009","15.5079","0.0014","90","","122.524","0.007","90","","1297.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 Cu2 N4 O7 -","- C11 H8 Cu2 N4 O7 -","- C44 H32 Cu8 N16 O28 -","4","1","","Chen, Xi; Li, Hong-Xi; Zhang, Zhi-Yuan; Xu, Cheng; Hou, Kai-Peng; Zhou, Li-Kuan; Lang, Jian-Ping; Sun, Zhen-Rong","Assembly of two cluster-based coordination polymers with good NLO performance from one NLO-inactive precursor cluster [Et4N][Tp*W(μ3‒S)3(CuCl)3]","CrystEngComm","2012","14","11","4027","","10.1039/c2ce25143d","","","0.71073","MoKα","","0.0664","0.0582","","","0.1484","0.1569","","","","","","1","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7208000","10.603","0.002","12.39","0.003","12.774","0.003","80.25","0.03","70.91","0.03","67.35","0.03","1461.7","0.7","223","2","223","2","","","","","","","","8","P -1","-P 1","2","","","","- C38 H54 B2 Cu6 N16 O S10 W2 -","- C38 H54 B2 Cu6 N16 O S10 W2 -","- C38 H54 B2 Cu6 N16 O S10 W2 -","1","0.5","","Chen, Xi; Li, Hong-Xi; Zhang, Zhi-Yuan; Xu, Cheng; Hou, Kai-Peng; Zhou, Li-Kuan; Lang, Jian-Ping; Sun, Zhen-Rong","Assembly of two cluster-based coordination polymers with good NLO performance from one NLO-inactive precursor cluster [Et4N][Tp*W(μ3‒S)3(CuCl)3]","CrystEngComm","2012","14","11","4027","","10.1039/c2ce25143d","","","0.71073","MoKα","","0.0445","0.0342","","","0.089","0.097","","","","","","0.629","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208001","5.8941","0.0012","14.565","0.003","22.299","0.005","90","","97.3","0.03","90","","1898.8","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 Na O6 -","- C21 H17 Na O6 -","- C84 H68 Na4 O24 -","4","1","","Butterhof, Christian; Milius, Wolfgang; Breu, Josef","Co-crystallisation of benzoic acid with sodium benzoate: the significance of stoichiometry","CrystEngComm","2012","14","11","3945","","10.1039/c2ce25185j","","","0.71073","MoKα","","0.0791","0.0374","","","0.084","0.0947","","","","","","0.803","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208002","5.323","0.006","13.091","0.015","19.48","0.02","90","","91.18","0.03","90","","1357","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Ba2 La3 Li3 O32 W8 -","- Ba2 La3 Li3 O32 W8 -","- Ba4 La6 Li6 O64 W16 -","2","0.25","","Pan, Yu; Chen, Yujin; Lin, Yanfu; Gong, Xinghong; Huang, Jianhua; Luo, Zundu; Huang, Yidong","Structure, spectral properties and laser performance of Tm3±doped Li3Ba2La3(WO4)8 crystal","CrystEngComm","2012","14","11","3930","","10.1039/c2ce25190f","","","0.71073","MoKα","","0.038","0.0358","","","0.087","0.0946","","","","","","1.073","","","","has coordinates,has disorder","180411","2020-10-21","18:00:00",""
"7208003","6.86","0.001","8.7768","0.0012","11.895","0.0016","78.96","0.002","82.287","0.002","80.2","0.002","688.84","0.17","173","2","173","2","","","","","","","","5","P -1","-P 1","2","Nicotinamide hydrochloride base salt","","","- C12 H15 Cl N4 O3 -","- C12 H15 Cl N4 O3 -","- C24 H30 Cl2 N8 O6 -","2","1","","Perumalla, Sathyanarayana Reddy; Sun, Changquan Calvin","Design and synthesis of solid state structures with conjugate acid‒base pair interactions","CrystEngComm","2012","14","11","3851","","10.1039/c2ce25193k","","","0.71073","MoKα","","0.0418","0.0313","","","0.0809","0.0861","","","","","","1.018","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208004","8.8921","0.0012","5.775","0.0008","26.92","0.004","90","","95.899","0.003","90","","1375.1","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","Sodium hydrogen bis(naproxate) methanol solvate","","","- C30 H35 Na O8 -","- C30 H35 Na O8 -","- C60 H70 Na2 O16 -","2","1","","Perumalla, Sathyanarayana Reddy; Sun, Changquan Calvin","Design and synthesis of solid state structures with conjugate acid‒base pair interactions","CrystEngComm","2012","14","11","3851","","10.1039/c2ce25193k","","","0.71073","MoKα","","0.0497","0.0374","","","0.0903","0.0957","","","","","","1.037","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208005","8.5777","0.0012","5.8968","0.0008","16.506","0.002","90","","92.35","0.002","90","","834.19","0.19","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","Naproxen sodium mono salt DMF solvate","","","- C17 H20 N Na O4 -","- C17 H20 N Na O4 -","- C34 H40 N2 Na2 O8 -","2","1","","Perumalla, Sathyanarayana Reddy; Sun, Changquan Calvin","Design and synthesis of solid state structures with conjugate acid‒base pair interactions","CrystEngComm","2012","14","11","3851","","10.1039/c2ce25193k","","","0.71073","MoKα","","0.0354","0.0315","","","0.0813","0.0837","","","","","","1.05","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208006","7.4527","0.0004","11.7415","0.0006","12.156","0.0006","90.262","0.001","103.354","0.001","103.308","0.001","1005.29","0.09","296","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H26 Cd5 N6 O22 -","- C32 H26 Cd5 N6 O22 -","- C32 H26 Cd5 N6 O22 -","1","0.5","","Cui, Guang-Hua; He, Cui-Hong; Jiao, Cui-Huan; Geng, Jian-Chen; Blatov, Vladislav A.","Two metal‒organic frameworks with unique high-connected binodal network topologies: synthesis, structures, and catalytic properties","CrystEngComm","2012","14","12","4210","","10.1039/c2ce25264c","","","0.71073","MoKα","","0.0222","0.0203","","","0.0537","0.0547","","","","","","1.053","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208007","15.0607","0.0012","12.1512","0.001","16.2654","0.0013","90","","113.337","0.001","90","","2733.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H20 Cu2 N9 O8 -","- C28 H20 Cu2 N9 O8 -","- C112 H80 Cu8 N36 O32 -","4","1","","Cui, Guang-Hua; He, Cui-Hong; Jiao, Cui-Huan; Geng, Jian-Chen; Blatov, Vladislav A.","Two metal‒organic frameworks with unique high-connected binodal network topologies: synthesis, structures, and catalytic properties","CrystEngComm","2012","14","12","4210","","10.1039/c2ce25264c","","","0.71073","MoKα","","0.083","0.0428","","","0.0934","0.1099","","","","","","0.983","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208008","11.9088","0.0004","11.9088","0.0004","8.3166","0.0006","90","","90","","120","","1021.44","0.09","298","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C12 H10 N2 O6 Zn -","- C12 H10 N2 O6 Zn -","- C36 H30 N6 O18 Zn3 -","3","0.5","","Zhang, Huabin; Wu, Shuting; Tian, Chongbin; Lin, Zujin; Li, Zhihua; Lin, Ping; Du, Shaowu","Two enantiomorphic 3D Zn(ii)‒carboxylate MOFs with double helical structures serving as a chiral source induced by hydrogen bonding","CrystEngComm","2012","14","12","4165","","10.1039/c2ce25325a","","","0.71073","MoKα","","0.0327","0.0315","","","0.0815","0.0826","","","","","","0.901","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208009","11.9058","0.0007","11.9058","0.0007","8.3177","0.0011","90","","90","","120","","1021.06","0.16","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C12 H10 N2 O6 Zn -","- C12 H10 N2 O6 Zn -","- C36 H30 N6 O18 Zn3 -","3","0.5","","Zhang, Huabin; Wu, Shuting; Tian, Chongbin; Lin, Zujin; Li, Zhihua; Lin, Ping; Du, Shaowu","Two enantiomorphic 3D Zn(ii)‒carboxylate MOFs with double helical structures serving as a chiral source induced by hydrogen bonding","CrystEngComm","2012","14","12","4165","","10.1039/c2ce25325a","","","0.71073","MoKα","","0.0281","0.0268","","","0.0646","0.0652","","","","","","1.308","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208010","11.8429","0.0011","11.8429","0.0011","8.2715","0.0014","90","","90","","120","","1004.7","0.2","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C12 H10 N2 O6 Zn -","- C12 H10 N2 O6 Zn -","- C36 H30 N6 O18 Zn3 -","3","0.5","","Zhang, Huabin; Wu, Shuting; Tian, Chongbin; Lin, Zujin; Li, Zhihua; Lin, Ping; Du, Shaowu","Two enantiomorphic 3D Zn(ii)‒carboxylate MOFs with double helical structures serving as a chiral source induced by hydrogen bonding","CrystEngComm","2012","14","12","4165","","10.1039/c2ce25325a","","","0.71073","MoKα","","0.0432","0.0404","","","0.0983","0.1005","","","","","","1.01","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208011","11.9194","0.0006","11.9194","0.0006","8.3261","0.0011","90","","90","","120","","1024.43","0.15","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C12 H10 N2 O6 Zn -","- C12 H10 N2 O6 Zn -","- C36 H30 N6 O18 Zn3 -","3","0.5","","Zhang, Huabin; Wu, Shuting; Tian, Chongbin; Lin, Zujin; Li, Zhihua; Lin, Ping; Du, Shaowu","Two enantiomorphic 3D Zn(ii)‒carboxylate MOFs with double helical structures serving as a chiral source induced by hydrogen bonding","CrystEngComm","2012","14","12","4165","","10.1039/c2ce25325a","","","0.71073","MoKα","","0.0326","0.0305","","","0.0728","0.0741","","","","","","1.046","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208012","11.9329","0.0013","11.9329","0.0013","8.3384","0.0018","90","","90","","120","","1028.3","0.3","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C12 H10 N2 O6 Zn -","- C12 H10 N2 O6 Zn -","- C36 H30 N6 O18 Zn3 -","3","0.5","","Zhang, Huabin; Wu, Shuting; Tian, Chongbin; Lin, Zujin; Li, Zhihua; Lin, Ping; Du, Shaowu","Two enantiomorphic 3D Zn(ii)‒carboxylate MOFs with double helical structures serving as a chiral source induced by hydrogen bonding","CrystEngComm","2012","14","12","4165","","10.1039/c2ce25325a","","","0.71073","MoKα","","0.0343","0.0313","","","0.0711","0.0728","","","","","","1.086","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208013","11.9072","0.0005","11.9072","0.0005","8.3161","0.0006","90","","90","","120","","1021.1","0.1","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C12 H10 N2 O6 Zn -","- C12 H10 N2 O6 Zn -","- C36 H30 N6 O18 Zn3 -","3","0.5","","Zhang, Huabin; Wu, Shuting; Tian, Chongbin; Lin, Zujin; Li, Zhihua; Lin, Ping; Du, Shaowu","Two enantiomorphic 3D Zn(ii)‒carboxylate MOFs with double helical structures serving as a chiral source induced by hydrogen bonding","CrystEngComm","2012","14","12","4165","","10.1039/c2ce25325a","","","0.71073","MoKα","","0.0254","0.0245","","","0.0647","0.0652","","","","","","1.085","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208014","11.9175","0.0006","11.9175","0.0006","8.3253","0.0013","90","","90","","120","","1024","0.18","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C12 H10 N2 O6 Zn -","- C12 H10 N2 O6 Zn -","- C36 H30 N6 O18 Zn3 -","3","0.5","","Zhang, Huabin; Wu, Shuting; Tian, Chongbin; Lin, Zujin; Li, Zhihua; Lin, Ping; Du, Shaowu","Two enantiomorphic 3D Zn(ii)‒carboxylate MOFs with double helical structures serving as a chiral source induced by hydrogen bonding","CrystEngComm","2012","14","12","4165","","10.1039/c2ce25325a","","","0.71073","MoKα","","0.024","0.0226","","","0.0573","0.0578","","","","","","1.045","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208015","11.9166","0.0004","11.9166","0.0004","8.3263","0.0004","90","","90","","120","","1023.97","0.07","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C12 H10 N2 O6 Zn -","- C12 H10 N2 O6 Zn -","- C36 H30 N6 O18 Zn3 -","3","0.5","","Zhang, Huabin; Wu, Shuting; Tian, Chongbin; Lin, Zujin; Li, Zhihua; Lin, Ping; Du, Shaowu","Two enantiomorphic 3D Zn(ii)‒carboxylate MOFs with double helical structures serving as a chiral source induced by hydrogen bonding","CrystEngComm","2012","14","12","4165","","10.1039/c2ce25325a","","","0.71073","MoKα","","0.0268","0.0243","","","0.0592","0.06","","","","","","1.046","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208016","11.9118","0.0004","11.9118","0.0004","8.326","0.0005","90","","90","","120","","1023.11","0.08","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C12 H10 N2 O6 Zn -","- C12 H10 N2 O6 Zn -","- C36 H30 N6 O18 Zn3 -","3","0.5","","Zhang, Huabin; Wu, Shuting; Tian, Chongbin; Lin, Zujin; Li, Zhihua; Lin, Ping; Du, Shaowu","Two enantiomorphic 3D Zn(ii)‒carboxylate MOFs with double helical structures serving as a chiral source induced by hydrogen bonding","CrystEngComm","2012","14","12","4165","","10.1039/c2ce25325a","","","0.71073","MoKα","","0.0272","0.0237","","","0.0508","0.052","","","","","","1.015","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208017","11.9109","0.0006","11.9109","0.0006","8.3215","0.0009","90","","90","","120","","1022.4","0.13","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C12 H10 N2 O6 Zn -","- C12 H10 N2 O6 Zn -","- C36 H30 N6 O18 Zn3 -","3","0.5","","Zhang, Huabin; Wu, Shuting; Tian, Chongbin; Lin, Zujin; Li, Zhihua; Lin, Ping; Du, Shaowu","Two enantiomorphic 3D Zn(ii)‒carboxylate MOFs with double helical structures serving as a chiral source induced by hydrogen bonding","CrystEngComm","2012","14","12","4165","","10.1039/c2ce25325a","","","0.71073","MoKα","","0.0261","0.025","","","0.0595","0.0601","","","","","","1.092","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208018","9.5545","0.0012","10.3457","0.0013","13.7876","0.0017","81.615","0.001","82.813","0.001","70.723","0.001","1268.4","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","(Zn2(dppip)2(bpy)(H2O)4)(dmf)(H2O)1.5","","","- C41 H60 N3 O22 P2 Zn2 -","- C41 H28 N3 O21.832 P2 Zn2 -","- C41 H28 N3 O21.832 P2 Zn2 -","1","0.5","","Yamada, Teppei; Kitagawa, Hiroshi","Syntheses of metal‒organic frameworks with protected phosphonate ligands","CrystEngComm","2012","14","12","4148","","10.1039/c2ce25358e","","","0.71073","MoKα","","0.1293","0.0788","","","0.1565","0.1709","","","","","","1.086","","","","has coordinates,has disorder","180411","2020-10-21","18:00:00",""
"7208019","8.463","0.002","11.263","0.003","11.774","0.003","110.96","0.002","96.523","0.003","108.941","0.002","957.2","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","dizinc 4,4'-bipyridyl bis(3-etacarboxy-5-carboxylphoshonate trihydrate","dizinc 4,4'-bipyridyl bis(3-etacarboxy-5-carboxylphoshonate trihydrate","","- C16 H21 N O10 P Zn -","- C16 H21 N O10 P Zn -","- C32 H42 N2 O20 P2 Zn2 -","2","1","","Yamada, Teppei; Kitagawa, Hiroshi","Syntheses of metal‒organic frameworks with protected phosphonate ligands","CrystEngComm","2012","14","12","4148","","10.1039/c2ce25358e","","","0.71073","MoKα","","0.0268","0.0262","","","0.0755","0.0759","","","","","","1.067","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208020","9.7414","0.0011","16.0486","0.0018","11.0596","0.0012","90","","95.446","0.001","90","","1721.2","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","dimethylammonium zinc (monoisopropyl 3,5-dicarboxyphenyl phosphonate)","dimethylammonium zinc (monoisopropyl 3,5-dicarboxyphenyl phosphonate)","","- C13 H18 N O7 P Zn -","- C13 H18 N O7 P Zn -","- C52 H72 N4 O28 P4 Zn4 -","4","1","","Yamada, Teppei; Kitagawa, Hiroshi","Syntheses of metal‒organic frameworks with protected phosphonate ligands","CrystEngComm","2012","14","12","4148","","10.1039/c2ce25358e","","","0.71073","MoKα","","0.0558","0.0379","","","0.088","0.0968","","","","","","1.068","","","","has coordinates,has disorder","180411","2020-10-21","18:00:00",""
"7208021","5.136","0.0014","12.264","0.003","12.574","0.003","69.555","0.003","79.414","0.003","82.245","0.003","727.3","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","(Zn2(H2pip)2(bpy))2(H2O)","","","- C26 H22 N2 O16 P2 Zn2 -","- C26 H18 N2 O16 P2 Zn2 -","- C26 H18 N2 O16 P2 Zn2 -","1","0.5","","Yamada, Teppei; Kitagawa, Hiroshi","Syntheses of metal‒organic frameworks with protected phosphonate ligands","CrystEngComm","2012","14","12","4148","","10.1039/c2ce25358e","","","0.71073","MoKα","","0.0687","0.0384","","","0.0903","0.0976","","","","","","1.036","","","","has coordinates,has disorder","180411","2020-10-21","18:00:00",""
"7208042","9.863","0.003","10.363","0.003","11.563","0.003","90","","113.28","0.02","90","","1085.6","0.6","125","2","125","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Robert, François; Jacquemin, Pierre-Loïc; Tinant, Bernard; Garcia, Yann","Trans-keto* form detection in non photochromic N-salicylidene aminomethylpyridines","CrystEngComm","2012","14","13","4396","","10.1039/c2ce00006g","","","0.71069","MoKα","","0.0509","0.0475","","","0.1263","0.1291","","","","","","1.124","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208043","13.864","0.004","6.004","0.002","14.041","0.004","90","","103.95","0.02","90","","1134.3","0.6","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 Cl N2 O -","- C13 H11 Cl N2 O -","- C52 H44 Cl4 N8 O4 -","4","1","","Robert, François; Jacquemin, Pierre-Loïc; Tinant, Bernard; Garcia, Yann","Trans-keto* form detection in non photochromic N-salicylidene aminomethylpyridines","CrystEngComm","2012","14","13","4396","","10.1039/c2ce00006g","","","0.71069","MoKα","","0.0421","0.0409","","","0.1126","0.1135","","","","","","1.139","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208044","11.05","0.003","14.2","0.003","10.068","0.002","90","","95.397","0.016","90","","1572.8","0.6","293","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C18.5 H17 N2 O -","- C18.5 H16.5 N2 O -","- C74 H66 N8 O4 -","4","1","","Choi, Eun-Young; Jazbinsek, Mojca; Lee, Seung-Heon; Günter, Peter; Yun, Hoseop; Lee, Soon W.; Kwon, O-Pil","Co-crystal structure selection of nonlinear optical analogue polyenes","CrystEngComm","2012","14","13","4306","","10.1039/c2ce06057d","","","0.71073","MoKα","","0.1835","0.0664","","","0.1326","0.1798","","","","","","1.003","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208045","12.7407","0.0003","12.7787","0.0003","15.996","0.0004","86.701","0.002","72.142","0.002","60.438","0.003","2142.27","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Manganese Sulfonyldibenzoate","","","- C84 H52 K2 Mn5 O38 S6 -","- C84 H48 K2 Mn5 O38 S6 -","- C84 H48 K2 Mn5 O38 S6 -","1","0.5","","Bhattacharya, Saurav; Ramanujachary, K. V.; Lofland, S. E.; Magdaleno, Travis; Natarajan, Srinivasan","Stabilization of O‒Mn‒O clusters (Mn5) in three dimensionally extended MOF structures: synthesis, structure and properties","CrystEngComm","2012","14","13","4323","","10.1039/c2ce06386g","","","0.71073","MoKα","","0.0462","0.0334","","","0.0859","0.0919","","","","","","1.089","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208046","12.55","0.0006","12.9301","0.0006","16.1279","0.0007","106.08","0.004","93.353","0.004","118.627","0.005","2149.9","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Manganese Sulfonyldibenzoate","","","- C84 H48 Cs2 Mn5 O36 S6 -","- C84 H48 Cs2 Mn5 O36 S6 -","- C84 H48 Cs2 Mn5 O36 S6 -","1","0.5","","Bhattacharya, Saurav; Ramanujachary, K. V.; Lofland, S. E.; Magdaleno, Travis; Natarajan, Srinivasan","Stabilization of O‒Mn‒O clusters (Mn5) in three dimensionally extended MOF structures: synthesis, structure and properties","CrystEngComm","2012","14","13","4323","","10.1039/c2ce06386g","","","0.71073","MoKα","","0.093","0.0576","","","0.1334","0.1469","","","","","","1.057","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208047","12.7609","0.0006","12.7682","0.0006","16.0315","0.0007","87.646","0.004","72.508","0.004","60.477","0.005","2149.7","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Manganese Sulfonyldibenzoate","","","- C84 H60 Mn5 N2 O38 S6 -","- C84 H56 Mn5 N2 O38 S6 -","- C84 H56 Mn5 N2 O38 S6 -","1","0.5","","Bhattacharya, Saurav; Ramanujachary, K. V.; Lofland, S. E.; Magdaleno, Travis; Natarajan, Srinivasan","Stabilization of O‒Mn‒O clusters (Mn5) in three dimensionally extended MOF structures: synthesis, structure and properties","CrystEngComm","2012","14","13","4323","","10.1039/c2ce06386g","","","0.71073","MoKα","","0.0675","0.0425","","","0.0845","0.0971","","","","","","1.007","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208048","12.7","0.005","12.714","0.005","15.99","0.005","72.773","0.005","88.047","0.005","60.583","0.005","2128.8","1.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","Manganese Sulfonyldibenzoate","","","- C84 H59 Mn5 O40.5 S6 -","- C84 H50 Mn5 O40.5 S6 -","- C84 H50 Mn5 O40.5 S6 -","1","0.5","","Bhattacharya, Saurav; Ramanujachary, K. V.; Lofland, S. E.; Magdaleno, Travis; Natarajan, Srinivasan","Stabilization of O‒Mn‒O clusters (Mn5) in three dimensionally extended MOF structures: synthesis, structure and properties","CrystEngComm","2012","14","13","4323","","10.1039/c2ce06386g","","","0.71073","MoKα","","0.0611","0.0416","","","0.0948","0.1036","","","","","","1.022","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208049","8.3238","0.0005","20.5408","0.0011","9.6118","0.0005","90","","102.496","0.005","90","","1604.47","0.16","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H35 Cu3 La O34 -","- C9 Cu3 La O34 -","- C18 Cu6 La2 O68 -","2","1","","Gil-Hernández, Beatriz; Gili, Pedro; Pasán, Jorge; Sanchiz, Joaquín; Ruiz-Pérez, Catalina","Two-dimensional (6,3) networks obtained with the {Cu3(Hmesox)3}3− secondary building unit (H4mesox = mesoxalic acid)","CrystEngComm","2012","14","13","4289","","10.1039/c2ce06418a","","x-ray","0.71073","MoKα","","0.0621","0.0454","","","0.0946","0.1014","","","","","","1.088","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208050","11.796","0.003","12.218","0.003","18.964","0.011","90","","93.794","0.016","90","","2727.2","1.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H29 Cu3 La O31 -","- C9 Cu3 La O31 -","- C36 Cu12 La4 O124 -","4","1","","Gil-Hernández, Beatriz; Gili, Pedro; Pasán, Jorge; Sanchiz, Joaquín; Ruiz-Pérez, Catalina","Two-dimensional (6,3) networks obtained with the {Cu3(Hmesox)3}3− secondary building unit (H4mesox = mesoxalic acid)","CrystEngComm","2012","14","13","4289","","10.1039/c2ce06418a","","x-ray","0.71073","Mokα","","0.0601","0.0458","","","0.1219","0.1448","","","","","","1.135","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208051","6.0895","0.0004","10.4778","0.0009","11.4086","0.001","73.688","0.007","77.256","0.007","85.402","0.006","681.28","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H21 N O7 Zn -","- C10 H21 N O7 Zn -","- C20 H42 N2 O14 Zn2 -","2","1","","Conterosito, Eleonora; Croce, Gianluca; Palin, Luca; Boccaleri, Enrico; van Beek, Wouter; Milanesio, Marco","Crystal structure and solid-state transformations of Zn‒triethanolamine‒acetate complexes to ZnO","CrystEngComm","2012","14","13","4472","","10.1039/c2ce06468e","","","0.71073","MoKα","","0.1988","0.0945","","","0.2342","0.2695","","","","","","1.065","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208052","8.4232","0.0005","10.0883","0.0005","10.1361","0.0006","91.118","0.004","113.57","0.005","98.367","0.005","778.19","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H42 N2 O16 Zn4 -","- C20 H42 N2 O16 Zn4 -","- C20 H42 N2 O16 Zn4 -","1","0.5","","Conterosito, Eleonora; Croce, Gianluca; Palin, Luca; Boccaleri, Enrico; van Beek, Wouter; Milanesio, Marco","Crystal structure and solid-state transformations of Zn‒triethanolamine‒acetate complexes to ZnO","CrystEngComm","2012","14","13","4472","","10.1039/c2ce06468e","","","0.71073","MoKα","","0.0532","0.03","","","0.0624","0.0696","","","","","","1.011","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208053","22.496","0.003","22.496","0.003","14.87","0.003","90","","90","","120","","6517.1","1.8","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C11 H12 Cd Cl N5 O -","- C11 H12 Cd Cl N5 O -","- C198 H216 Cd18 Cl18 N90 O18 -","18","1","","Chu, Wenjuan; Wu, Benlai; Tang, Mingsheng; Fan, Yaoting; Hou, Hongwei","A novel dodecanuclear cadmium(ii) macrocycle with a 3D framework: synthesis, structure and properties","CrystEngComm","2012","14","13","4414","","10.1039/c2ce06694g","","","0.71073","MoKα","","0.0444","0.0418","","","0.1338","0.1365","","","","","","1.09","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208054","6.4648","0.0013","9.841","0.002","30.508","0.006","90","","90","","90","","1940.9","0.7","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C10 H8 N5 -","- C10 H8 N5 -","- C80 H64 N40 -","8","1","","Chu, Wenjuan; Wu, Benlai; Tang, Mingsheng; Fan, Yaoting; Hou, Hongwei","A novel dodecanuclear cadmium(ii) macrocycle with a 3D framework: synthesis, structure and properties","CrystEngComm","2012","14","13","4414","","10.1039/c2ce06694g","","","0.71073","MoKα","","0.0764","0.0754","","","0.1805","0.1813","","","","","","1.008","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208055","11.6973","0.0002","10.268","0.0002","15.3761","0.0003","90","","94.2943","0.0019","90","","1841.61","0.06","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Cd2 O12 S -","- C16 H14 Cd2 O12 S -","- C64 H56 Cd8 O48 S4 -","4","1","","Li, Jia-Bin; Dong, Xi-Yan; Cao, Li-Hui; Zang, Shuang-Quan; Mak, Thomas C. W.","N-donor ligand mediated assembly of divalent zinc and cadmium coordination polymers based on 2,3,2′,3′-thiaphthalic acid: structures and properties","CrystEngComm","2012","14","13","4444","","10.1039/c2ce06705f","","","0.71073","MoKα","","0.047","0.0377","","","0.054","0.0556","","","","","","1.456","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208056","24.577","0.005","9.858","0.002","19.961","0.004","90","","109.71","0.03","90","","4552.8","1.8","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H32 Cd4 N2 O21 S2 -","- C44 H32 Cd4 N2 O21 S2 -","- C176 H128 Cd16 N8 O84 S8 -","4","0.5","","Li, Jia-Bin; Dong, Xi-Yan; Cao, Li-Hui; Zang, Shuang-Quan; Mak, Thomas C. W.","N-donor ligand mediated assembly of divalent zinc and cadmium coordination polymers based on 2,3,2′,3′-thiaphthalic acid: structures and properties","CrystEngComm","2012","14","13","4444","","10.1039/c2ce06705f","","","0.71073","MoKα","","0.0468","0.0417","","","0.0846","0.0874","","","","","","1.157","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208057","11.418","0.002","14.628","0.003","20.288","0.006","90","","120.49","0.02","90","","2920","1.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H20 Cd2 N4 O8 S -","- C30 H20 Cd2 N4 O8 S -","- C120 H80 Cd8 N16 O32 S4 -","4","1","","Li, Jia-Bin; Dong, Xi-Yan; Cao, Li-Hui; Zang, Shuang-Quan; Mak, Thomas C. W.","N-donor ligand mediated assembly of divalent zinc and cadmium coordination polymers based on 2,3,2′,3′-thiaphthalic acid: structures and properties","CrystEngComm","2012","14","13","4444","","10.1039/c2ce06705f","","","0.71073","MoKα","","0.0929","0.0769","","","0.187","0.2045","","","","","","1.226","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208058","19.695","0.004","9.2506","0.0019","18.77","0.004","90","","90","","90","","3419.7","1.2","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C28 H32 Cd2 N2 O17 S -","- C28 H32 Cd2 N2 O17 S -","- C112 H128 Cd8 N8 O68 S4 -","4","1","","Li, Jia-Bin; Dong, Xi-Yan; Cao, Li-Hui; Zang, Shuang-Quan; Mak, Thomas C. W.","N-donor ligand mediated assembly of divalent zinc and cadmium coordination polymers based on 2,3,2′,3′-thiaphthalic acid: structures and properties","CrystEngComm","2012","14","13","4444","","10.1039/c2ce06705f","","","0.71073","MoKα","","0.0311","0.0302","","","0.0659","0.0663","","","","","","1.094","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208059","9.2969","0.0005","15.1541","0.0007","21.5699","0.001","77.95","0.004","89.748","0.004","86.294","0.004","2965.6","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C104 H110 N8 O61 S4 Zn8 -","- C104 H110 N8 O61 S4 Zn8 -","- C104 H110 N8 O61 S4 Zn8 -","1","0.5","","Li, Jia-Bin; Dong, Xi-Yan; Cao, Li-Hui; Zang, Shuang-Quan; Mak, Thomas C. W.","N-donor ligand mediated assembly of divalent zinc and cadmium coordination polymers based on 2,3,2′,3′-thiaphthalic acid: structures and properties","CrystEngComm","2012","14","13","4444","","10.1039/c2ce06705f","","","0.71073","MoKα","","0.0745","0.0491","","","0.1061","0.117","","","","","","0.95","","","","has coordinates,has disorder","180411","2020-10-21","18:00:00",""
"7208060","8.709","0.004","11.587","0.005","8.28","0.003","90","","90","","90","","835.5","0.6","120","2","120","2","","","","","","","synthesis as described","5","P n n a","-P 2a 2bc","52","","","","- C4 H8 Mg N2 O6 -","- C4 H8 Mg N2 O6 -","- C16 H32 Mg4 N8 O24 -","4","0.5","","Rossin, Andrea; Chierotti, Michele R.; Giambastiani, Giuliano; Gobetto, Roberto; Peruzzini, Maurizio","Amine-templated polymeric Mg formates: crystalline scaffolds exhibiting extensive hydrogen bonding","CrystEngComm","2012","14","13","4454","","10.1039/c2ce25048a","","x-ray","0.71069","MoKα","","0.0331","0.0293","","","0.0791","0.0819","","","","","","1.109","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208061","8.391","0.002","11.831","0.002","8.842","0.001","90","","90","","90","","877.8","0.3","298","2","298","2","","","","","","","synthesis as described","5","P n n a","-P 2a 2bc","52","","","","- C4 H9 Mg N3 O6 -","- C4 H9 Mg N3 O6 -","- C16 H36 Mg4 N12 O24 -","4","0.5","","Rossin, Andrea; Chierotti, Michele R.; Giambastiani, Giuliano; Gobetto, Roberto; Peruzzini, Maurizio","Amine-templated polymeric Mg formates: crystalline scaffolds exhibiting extensive hydrogen bonding","CrystEngComm","2012","14","13","4454","","10.1039/c2ce25048a","","x-ray","0.71069","MoKα","","0.1345","0.1031","","","0.2709","0.3236","","","","","","1.124","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208062","11.667","0.002","8.3608","0.0016","12.363","0.002","90","","93.224","0.002","90","","1204","0.4","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H10 Cu N2 O6 -","- C12 H10 Cu N2 O6 -","- C48 H40 Cu4 N8 O24 -","4","1","","Cao, Xinjiang; Zhang, Jun; Wang, Chengjie; Zhu, Yanyan; Li, Gang","Design and construction of six metal‒organic frameworks with 2-p-methoxyphenyl-1H-imidazole-4,5-dicarboxylate","CrystEngComm","2012","14","13","4357","","10.1039/c2ce25081k","","","0.71073","MoKα","","0.0306","0.0286","","","0.0689","0.07","","","","","","1.042","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208063","17.55","0.004","12.839","0.003","18.15","0.004","90","","90","","90","","4089.6","1.6","291","2","291","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H16 N4 O5 Zn -","- C22 H16 N4 O5 Zn -","- C176 H128 N32 O40 Zn8 -","8","1","","Cao, Xinjiang; Zhang, Jun; Wang, Chengjie; Zhu, Yanyan; Li, Gang","Design and construction of six metal‒organic frameworks with 2-p-methoxyphenyl-1H-imidazole-4,5-dicarboxylate","CrystEngComm","2012","14","13","4357","","10.1039/c2ce25081k","","","0.71073","MoKα","","0.1154","0.0534","","","0.124","0.1536","","","","","","1.004","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208064","17.4706","0.0018","12.8946","0.0013","18.194","0.002","90","","90","","90","","4098.7","0.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H16 Co N4 O5 -","- C22 H16 Co N4 O5 -","- C176 H128 Co8 N32 O40 -","8","1","","Cao, Xinjiang; Zhang, Jun; Wang, Chengjie; Zhu, Yanyan; Li, Gang","Design and construction of six metal‒organic frameworks with 2-p-methoxyphenyl-1H-imidazole-4,5-dicarboxylate","CrystEngComm","2012","14","13","4357","","10.1039/c2ce25081k","","","0.71073","MoKα","","0.0492","0.0359","","","0.0968","0.103","","","","","","1.083","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208065","10.3055","0.0009","16.9232","0.0014","12.759","0.0011","90","","101.976","0.001","90","","2176.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 Co N4 O5 -","- C24 H16 Co N4 O5 -","- C96 H64 Co4 N16 O20 -","4","1","","Cao, Xinjiang; Zhang, Jun; Wang, Chengjie; Zhu, Yanyan; Li, Gang","Design and construction of six metal‒organic frameworks with 2-p-methoxyphenyl-1H-imidazole-4,5-dicarboxylate","CrystEngComm","2012","14","13","4357","","10.1039/c2ce25081k","","","0.71073","MoKα","","0.0385","0.0302","","","0.0775","0.0807","","","","","","1.086","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208066","9.0336","0.0008","10.155","0.0009","15.4904","0.0013","107.652","0.001","97.168","0.001","105.296","0.001","1273.33","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H19 Cd1.5 N4 O11 -","- C24 H19 Cd1.5 N4 O11 -","- C48 H38 Cd3 N8 O22 -","2","1","","Cao, Xinjiang; Zhang, Jun; Wang, Chengjie; Zhu, Yanyan; Li, Gang","Design and construction of six metal‒organic frameworks with 2-p-methoxyphenyl-1H-imidazole-4,5-dicarboxylate","CrystEngComm","2012","14","13","4357","","10.1039/c2ce25081k","","","0.71073","MoKα","","0.0417","0.0288","","","0.0638","0.0693","","","","","","1.02","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208067","19.821","0.003","7.474","0.0013","20.988","0.004","90","","105.716","0.002","90","","2993","0.9","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H26 Co1.5 N5 O12 -","- C29 H26 Co1.5 N5 O12 -","- C116 H104 Co6 N20 O48 -","4","1","","Cao, Xinjiang; Zhang, Jun; Wang, Chengjie; Zhu, Yanyan; Li, Gang","Design and construction of six metal‒organic frameworks with 2-p-methoxyphenyl-1H-imidazole-4,5-dicarboxylate","CrystEngComm","2012","14","13","4357","","10.1039/c2ce25081k","","","0.71073","MoKα","","0.0623","0.0429","","","0.1041","0.1154","","","","","","1.032","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208068","9.05","0.0003","19.4931","0.0007","12.0533","0.0004","90","","90","","90","","2126.35","0.13","150","2","150","2","","","","","","","","7","P n n m","-P 2 2n","58","","","","- C4 H54 Fe Mo4 N7 O36 P4 -","- C4 H6 Fe Mo4 O26 P4 -","- C8 H12 Fe2 Mo8 O52 P8 -","2","0.25","","Zhang, Lijuan; Sun, Jingmei; Zhou, Yunshan; ul Hassan, Sadaf; Wang, Enbo; Shi, Zonghai","A general synthesis approach in action: preparation and characterization of polyoxomolybdenum(vi) organophosphonates through oxidative Mo‒Mo bond cleavage in {MoV2O4}","CrystEngComm","2012","14","14","4826","","10.1039/c2ce25093d","","","0.71073","MoKα","","0.0945","0.0819","","","0.1934","0.1989","","","","","","1.133","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208069","19.34","0.003","8.9709","0.0015","12.18","0.002","90","","90","","90","","2113.2","0.6","103","2","103","2","","","","","","","","8","P n n m","-P 2 2n","58","","","","- C4 H51.34 Cr Mo4 N4 Na O39.67 P4 -","- C4 H30 Cr Mo4 N4 Na O39.66 P4 -","- C8 H60 Cr2 Mo8 N8 Na2 O79.32 P8 -","2","0.25","","Zhang, Lijuan; Sun, Jingmei; Zhou, Yunshan; ul Hassan, Sadaf; Wang, Enbo; Shi, Zonghai","A general synthesis approach in action: preparation and characterization of polyoxomolybdenum(vi) organophosphonates through oxidative Mo‒Mo bond cleavage in {MoV2O4}","CrystEngComm","2012","14","14","4826","","10.1039/c2ce25093d","","","0.71073","MoKα","","0.0509","0.049","","","0.1441","0.1459","","","","","","0.999","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"7208070","17.531","0.003","19.863","0.003","12.896","0.002","90","","90.48","0.003","90","","4490.5","1.2","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H51.3 Mo6 N8 O36.65 P4 -","- C4 H8 Mo6 N8 O36.65 P4 -","- C16 H32 Mo24 N32 O146.6 P16 -","4","1","","Zhang, Lijuan; Sun, Jingmei; Zhou, Yunshan; ul Hassan, Sadaf; Wang, Enbo; Shi, Zonghai","A general synthesis approach in action: preparation and characterization of polyoxomolybdenum(vi) organophosphonates through oxidative Mo‒Mo bond cleavage in {MoV2O4}","CrystEngComm","2012","14","14","4826","","10.1039/c2ce25093d","","","0.71073","MoKα","","0.0754","0.0605","","","0.1384","0.1468","","","","","","1.1","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7208071","10.674","0.002","10.9232","0.0013","8.796","0.002","90","","125.04","0.03","90","","839.7","0.4","120","2","120","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C6 H14 N4 -","- C6 H14 N4 -","- C24 H56 N16 -","4","0.5","","Railliet, Antoine P.; Safin, Damir A.; Robeyns, Koen; Garcia, Yann","Reaction of aminobenzoate esters with N,N′-dimethylformamide azine dihydrochloride: crucial influence of intramolecular hydrogen bonding for the formation of 1,2,4-triazoles","CrystEngComm","2012","14","14","4812","","10.1039/c2ce25095k","","","0.71073","MoKα","","0.0546","0.0524","","","0.1331","0.1358","","","","","","1.155","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208072","8.0454","0.0005","8.9859","0.0019","13.0298","0.0017","92.702","0.014","100.424","0.01","115.058","0.014","831.1","0.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H25 N5 O2 -","- C15 H25 N5 O2 -","- C30 H50 N10 O4 -","2","1","","Railliet, Antoine P.; Safin, Damir A.; Robeyns, Koen; Garcia, Yann","Reaction of aminobenzoate esters with N,N′-dimethylformamide azine dihydrochloride: crucial influence of intramolecular hydrogen bonding for the formation of 1,2,4-triazoles","CrystEngComm","2012","14","14","4812","","10.1039/c2ce25095k","","","0.71073","MoKα","","0.0555","0.0472","","","0.1208","0.1254","","","","","","1.057","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208073","18.5835","0.0014","5.4789","0.0005","20.2394","0.0019","90","","90.425","0.008","90","","2060.7","0.3","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H11 N3 O2 -","- C11 H11 N3 O2 -","- C88 H88 N24 O16 -","8","1","","Railliet, Antoine P.; Safin, Damir A.; Robeyns, Koen; Garcia, Yann","Reaction of aminobenzoate esters with N,N′-dimethylformamide azine dihydrochloride: crucial influence of intramolecular hydrogen bonding for the formation of 1,2,4-triazoles","CrystEngComm","2012","14","14","4812","","10.1039/c2ce25095k","","","0.71073","MoKα","","0.0431","0.0361","","","0.0979","0.1023","","","","","","1.057","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208074","8.8941","0.0013","8.8941","0.0013","6.3353","0.0013","90","","90","","120","","434.01","0.13","295","2","295","2","","","2620000","","","","","3","P 63/m","-P 6c","176","chloroethane","chloroethane","","- C2 H5 Cl -","- C2 H5 Cl -","- C12 H30 Cl6 -","6","0.5","","Podsiadło, Marcin; Bujak, Maciej; Katrusiak, Andrzej","Chemistry of density: extension and structural origin of Carnelley's rule in chloroethanes","CrystEngComm","2012","14","13","4496","","10.1039/c2ce25097g","","","0.71073","MoKα","","0.0226","0.0215","","","0.05","0.0515","","","","","","1.182","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208075","8.8116","0.0012","8.8116","0.0012","6.2705","0.0013","90","","90","","120","","421.64","0.12","295","2","295","2","","","3040000","","","","","3","P 63/m","-P 6c","176","chloroethane","chloroethane","","- C2 H5 Cl -","- C2 H5 Cl -","- C12 H30 Cl6 -","6","0.5","","Podsiadło, Marcin; Bujak, Maciej; Katrusiak, Andrzej","Chemistry of density: extension and structural origin of Carnelley's rule in chloroethanes","CrystEngComm","2012","14","13","4496","","10.1039/c2ce25097g","","","0.71073","MoKα","","0.0175","0.0172","","","0.044","0.0442","","","","","","1.096","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208076","5.3006","0.0007","9.8562","0.0015","6.8405","0.001","90","","98.173","0.013","90","","353.74","0.09","120","0.1","120","0.1","","","100","","","","","3","P 1 21/n 1","-P 2yn","14","chloroethane","chloroethane","","- C2 H5 Cl -","- C2 H5 Cl -","- C8 H20 Cl4 -","4","1","","Podsiadło, Marcin; Bujak, Maciej; Katrusiak, Andrzej","Chemistry of density: extension and structural origin of Carnelley's rule in chloroethanes","CrystEngComm","2012","14","13","4496","","10.1039/c2ce25097g","","","0.71073","MoKα","","0.0654","0.06","","","0.151","0.154","","","","","","1.072","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208077","5.2815","0.0006","9.8152","0.0014","6.7653","0.0009","90","","98.071","0.012","90","","347.23","0.08","100","0.1","100","0.1","","","100","","","","","3","P 1 21/n 1","-P 2yn","14","chloroethane","chloroethane","","- C2 H5 Cl -","- C2 H5 Cl -","- C8 H20 Cl4 -","4","1","","Podsiadło, Marcin; Bujak, Maciej; Katrusiak, Andrzej","Chemistry of density: extension and structural origin of Carnelley's rule in chloroethanes","CrystEngComm","2012","14","13","4496","","10.1039/c2ce25097g","","","0.71073","MoKα","","0.0602","0.0552","","","0.1391","0.1433","","","","","","0.999","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208078","51.285","0.01","11.694","0.002","31.093","0.006","90","","112.22","0.03","90","","17263","7","113","2","113","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C51 H45 F18 N4 O12 Tb -","- C51 H45 F18 N4 O12 Tb -","- C612 H540 F216 N48 O144 Tb12 -","12","1.5","","Wang, Ya-Li; Gao, Yuan-Yuan; Ma, Yue; Wang, Qing-Lun; Li, Li-Cun; Liao, Dai-Zheng","A family of lanthanide‒nitronyl nitroxide complexes: syntheses, crystal structures and magnetic properties","CrystEngComm","2012","14","14","4706","","10.1039/c2ce25116g","","","0.71073","MoKα","","0.0417","0.0344","","","0.0765","0.0806","","","","","","1.072","","","","has coordinates,has disorder","180411","2020-10-21","18:00:00",""
"7208079","11.844","0.002","14.694","0.003","17.86","0.004","97.57","0.03","93.51","0.03","107.98","0.03","2913.6","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H45 F18 Ho N4 O12 -","- C51 H45 F18 Ho N4 O12 -","- C102 H90 F36 Ho2 N8 O24 -","2","1","","Wang, Ya-Li; Gao, Yuan-Yuan; Ma, Yue; Wang, Qing-Lun; Li, Li-Cun; Liao, Dai-Zheng","A family of lanthanide‒nitronyl nitroxide complexes: syntheses, crystal structures and magnetic properties","CrystEngComm","2012","14","14","4706","","10.1039/c2ce25116g","","","0.71073","MoKα","","0.0872","0.0437","","","0.0641","0.07","","","","","","0.852","","","","has coordinates,has disorder","180411","2020-10-21","18:00:00",""
"7208080","11.778","0.002","14.717","0.003","17.644","0.003","97.39","0.03","93.68","0.03","107.89","0.03","2868.8","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H45 Er F18 N4 O12 -","- C51 H45 Er F18 N4 O12 -","- C102 H90 Er2 F36 N8 O24 -","2","1","","Wang, Ya-Li; Gao, Yuan-Yuan; Ma, Yue; Wang, Qing-Lun; Li, Li-Cun; Liao, Dai-Zheng","A family of lanthanide‒nitronyl nitroxide complexes: syntheses, crystal structures and magnetic properties","CrystEngComm","2012","14","14","4706","","10.1039/c2ce25116g","","","0.71073","MoKα","","0.081","0.0632","","","0.1453","0.1601","","","","","","1.078","","","","has coordinates,has disorder","180411","2020-10-21","18:00:00",""
"7208081","11.768","0.002","14.695","0.003","17.642","0.003","97.37","0.03","93.85","0.03","108.19","0.03","2855.8","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H45 F18 N4 O12 Tm -","- C51 H45 F18 N4 O12 Tm -","- C102 H90 F36 N8 O24 Tm2 -","2","1","","Wang, Ya-Li; Gao, Yuan-Yuan; Ma, Yue; Wang, Qing-Lun; Li, Li-Cun; Liao, Dai-Zheng","A family of lanthanide‒nitronyl nitroxide complexes: syntheses, crystal structures and magnetic properties","CrystEngComm","2012","14","14","4706","","10.1039/c2ce25116g","","","0.71073","MoKα","","0.0618","0.0488","","","0.103","0.1086","","","","","","1.073","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208082","12.296","0.003","14.312","0.003","19.009","0.004","100.89","0.03","103.92","0.03","111.24","0.03","2882.1","1.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H45 F18 Gd N4 O12 -","- C51 H45 F18 Gd N4 O12 -","- C102 H90 F36 Gd2 N8 O24 -","2","1","","Wang, Ya-Li; Gao, Yuan-Yuan; Ma, Yue; Wang, Qing-Lun; Li, Li-Cun; Liao, Dai-Zheng","A family of lanthanide‒nitronyl nitroxide complexes: syntheses, crystal structures and magnetic properties","CrystEngComm","2012","14","14","4706","","10.1039/c2ce25116g","","","0.71073","MoKα","","0.0394","0.0365","","","0.0918","0.0944","","","","","","1.051","","","","has coordinates,has disorder","180411","2020-10-21","18:00:00",""
"7208083","12.237","0.002","14.223","0.003","18.868","0.004","100.82","0.03","104.15","0.03","111.08","0.03","2829.9","1.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H45 Dy F18 N4 O12 -","- C51 H45 Dy F18 N4 O12 -","- C102 H90 Dy2 F36 N8 O24 -","2","1","","Wang, Ya-Li; Gao, Yuan-Yuan; Ma, Yue; Wang, Qing-Lun; Li, Li-Cun; Liao, Dai-Zheng","A family of lanthanide‒nitronyl nitroxide complexes: syntheses, crystal structures and magnetic properties","CrystEngComm","2012","14","14","4706","","10.1039/c2ce25116g","","","0.71073","MoKα","","0.0564","0.0477","","","0.1108","0.1165","","","","","","1.076","","","","has coordinates,has disorder","180411","2020-10-21","18:00:00",""
"7208084","12.388","0.003","14.306","0.003","19.221","0.004","100.93","0.03","103.76","0.03","111.6","0.03","2927.8","1.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H45 F18 N4 O12 Pr -","- C51 H45 F18 N4 O12 Pr -","- C102 H90 F36 N8 O24 Pr2 -","2","1","","Wang, Ya-Li; Gao, Yuan-Yuan; Ma, Yue; Wang, Qing-Lun; Li, Li-Cun; Liao, Dai-Zheng","A family of lanthanide‒nitronyl nitroxide complexes: syntheses, crystal structures and magnetic properties","CrystEngComm","2012","14","14","4706","","10.1039/c2ce25116g","","","0.71073","MoKα","","0.0692","0.0559","","","0.136","0.1436","","","","","","1.034","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208085","29","0.02","11.358","0.008","20.024","0.015","90","","97.977","0.009","90","","6532","8","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 N2 O3 -","- C18 H21 N2 O3 -","- C288 H336 N32 O48 -","16","4","","Wang, Ya-Li; Gao, Yuan-Yuan; Ma, Yue; Wang, Qing-Lun; Li, Li-Cun; Liao, Dai-Zheng","A family of lanthanide‒nitronyl nitroxide complexes: syntheses, crystal structures and magnetic properties","CrystEngComm","2012","14","14","4706","","10.1039/c2ce25116g","","","0.71073","MoKα","","0.1363","0.1015","","","0.2319","0.255","","","","","","1.011","","","","has coordinates,has disorder","180411","2020-10-21","18:00:00",""
"7208086","17.693","0.003","17.693","0.003","13.907","0.003","90","","90","","120","","3770.2","1.2","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C30 H27 N3 O6 -","- C30 H27 N3 O6 -","- C180 H162 N18 O36 -","6","0.333333","","Naseer, Muhammad Moazzam; Hameed, Shahid","Layer-by-layer assembly of supramolecular hexagonal blocks driven by CH‒π and π‒π interactions","CrystEngComm","2012","14","13","4247","","10.1039/c2ce25118c","","","0.71073","MoKα","","0.0701","0.0401","","","0.0892","0.0989","","","","","","1.012","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208087","5.2959","0.0008","5.011","0.0008","21.651","0.014","90","","98.78","0.04","90","","567.8","0.4","296","2","296","2","640000","","","","","","","3","P 1 21/c 1","-P 2ybc","14","benzioc acid","","","- C7 H6 O2 -","- C7 H6 O2 -","- C28 H24 O8 -","4","1","","Cai, Weizhao; Katrusiak, Andrzej","Pressure effects on H-ordering in hydrogen bonds and interactions in benzoic acid","CrystEngComm","2012","14","13","4420","","10.1039/c2ce25128k","","","0.71073","MoKα","","0.1081","0.0927","","","0.1775","0.1883","","","","","","1.211","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208088","5.3454","0.0015","5.04","0.0016","21.688","0.017","90","","98.36","0.08","90","","578.1","0.5","296","2","296","2","420000","","","","","","","3","P 1 21/c 1","-P 2ybc","14","benzioc acid","","","- C7 H6 O2 -","- C7 H6 O2 -","- C28 H24 O8 -","4","1","","Cai, Weizhao; Katrusiak, Andrzej","Pressure effects on H-ordering in hydrogen bonds and interactions in benzoic acid","CrystEngComm","2012","14","13","4420","","10.1039/c2ce25128k","","","0.71073","MoKα","","0.125","0.0999","","","0.1986","0.2153","","","","","","1.314","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208089","5.402","0.004","5.067","0.003","21.751","0.015","90","","98.1","0.06","90","","589.4","0.7","296","2","296","2","210000","","","","","","","3","P 1 21/c 1","-P 2ybc","14","benzioc acid","","","- C7 H6 O2 -","- C7 H6 O2 -","- C28 H24 O8 -","4","1","","Cai, Weizhao; Katrusiak, Andrzej","Pressure effects on H-ordering in hydrogen bonds and interactions in benzoic acid","CrystEngComm","2012","14","13","4420","","10.1039/c2ce25128k","","","0.71073","MoKα","","0.1365","0.0875","","","0.0767","0.0847","","","","","","1.477","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208090","5.1036","0.0011","4.8981","0.001","21.176","0.016","90","","100.38","0.06","90","","520.7","0.4","296","2","296","2","1960000","","","","","","","3","P 1 21/c 1","-P 2ybc","14","benzioc acid","","","- C7 H6 O2 -","- C7 H6 O2 -","- C28 H24 O8 -","4","1","","Cai, Weizhao; Katrusiak, Andrzej","Pressure effects on H-ordering in hydrogen bonds and interactions in benzoic acid","CrystEngComm","2012","14","13","4420","","10.1039/c2ce25128k","","","0.71073","MoKα","","0.1128","0.0765","","","0.0919","0.1048","","","","","","1.301","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208091","5.1578","0.0011","4.9334","0.0011","21.302","0.015","90","","99.82","0.06","90","","534.1","0.4","296","2","296","2","1480000","","","","","","","3","P 1 21/c 1","-P 2ybc","14","benzioc acid","","","- C7 H6 O2 -","- C7 H6 O2 -","- C28 H24 O8 -","4","1","","Cai, Weizhao; Katrusiak, Andrzej","Pressure effects on H-ordering in hydrogen bonds and interactions in benzoic acid","CrystEngComm","2012","14","13","4420","","10.1039/c2ce25128k","","","0.71073","MoKα","","0.0886","0.0667","","","0.099","0.1053","","","","","","1.353","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208092","5.2086","0.001","4.9633","0.0011","21.468","0.015","90","","99.48","0.06","90","","547.4","0.4","296","2","296","2","1120000","","","","","","","3","P 1 21/c 1","-P 2ybc","14","benzioc acid","","","- C7 H6 O2 -","- C7 H6 O2 -","- C28 H24 O8 -","4","1","","Cai, Weizhao; Katrusiak, Andrzej","Pressure effects on H-ordering in hydrogen bonds and interactions in benzoic acid","CrystEngComm","2012","14","13","4420","","10.1039/c2ce25128k","","","0.71073","MoKα","","0.0716","0.0509","","","0.1324","0.1503","","","","","","1.131","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208093","5.077","0.014","4.893","0.009","21.1","0.06","90","","100.6","0.4","90","","515","2","296","2","296","2","2210000","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Benzioc acid","","","- C7 H6 O2 -","- C7 H6 O2 -","- C28 H24 O8 -","4","1","","Cai, Weizhao; Katrusiak, Andrzej","Pressure effects on H-ordering in hydrogen bonds and interactions in benzoic acid","CrystEngComm","2012","14","13","4420","","10.1039/c2ce25128k","","","0.71073","MoKα","","0.2213","0.0982","","","0.1083","0.1479","","","","","","1.269","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208094","7.0066","0.0006","6.2397","0.0005","19.8205","0.0017","90","","96.494","0.002","90","","860.97","0.13","125","2","125","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H21 N O2 -","- C21 H21 N O2 -","- C42 H42 N2 O4 -","2","1","","Okuno, Takahiro; Sakoda, Yumeko; Kinuta, Takafumi; Sato, Tomohiro; Tokutome, Hayato; Tajima, Nobuo; Nakano, Yoko; Fujiki, Michiya; Kuroda, Reiko; Imai, Yoshitane","Dependence of solid-state optical properties on binding groups in biphenyl acid/amine supramolecular organic complexes","CrystEngComm","2012","14","14","4819","","10.1039/c2ce25259g","","","0.71073","MoKα","","0.0473","0.0431","","","0.0994","0.1021","","","","","","1.035","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208095","7.0662","0.0008","6.1893","0.0007","29.342","0.004","90","","90.006","0.002","90","","1283.3","0.3","115","2","115","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H32 N2 O4 -","- C30 H32 N2 O4 -","- C60 H64 N4 O8 -","2","1","","Okuno, Takahiro; Sakoda, Yumeko; Kinuta, Takafumi; Sato, Tomohiro; Tokutome, Hayato; Tajima, Nobuo; Nakano, Yoko; Fujiki, Michiya; Kuroda, Reiko; Imai, Yoshitane","Dependence of solid-state optical properties on binding groups in biphenyl acid/amine supramolecular organic complexes","CrystEngComm","2012","14","14","4819","","10.1039/c2ce25259g","","","0.71073","MoKα","","0.0564","0.0535","","","0.125","0.127","","","","","","1.035","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208096","7.357","0.002","6.1288","0.0017","20.081","0.006","90","","91.129","0.005","90","","905.3","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H21 N O3 S -","- C20 H21 N O3 S -","- C40 H42 N2 O6 S2 -","2","1","","Okuno, Takahiro; Sakoda, Yumeko; Kinuta, Takafumi; Sato, Tomohiro; Tokutome, Hayato; Tajima, Nobuo; Nakano, Yoko; Fujiki, Michiya; Kuroda, Reiko; Imai, Yoshitane","Dependence of solid-state optical properties on binding groups in biphenyl acid/amine supramolecular organic complexes","CrystEngComm","2012","14","14","4819","","10.1039/c2ce25259g","","","0.71075","MoKα","","0.0333","0.0328","","","0.0869","0.0874","","","","","","0.971","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208097","29.1775","0.0014","6.2427","0.0003","7.2407","0.0003","90","","90","","90","","1318.87","0.1","115","2","115","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C14 H16 N O3 S -","- C14 H16 N O3 S -","- C56 H64 N4 O12 S4 -","4","1","","Okuno, Takahiro; Sakoda, Yumeko; Kinuta, Takafumi; Sato, Tomohiro; Tokutome, Hayato; Tajima, Nobuo; Nakano, Yoko; Fujiki, Michiya; Kuroda, Reiko; Imai, Yoshitane","Dependence of solid-state optical properties on binding groups in biphenyl acid/amine supramolecular organic complexes","CrystEngComm","2012","14","14","4819","","10.1039/c2ce25259g","","","0.71073","MoKα","","0.0335","0.0325","","","0.0831","0.0839","","","","","","1.064","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208098","10.9234","0.0009","10.215","0.0008","11.2637","0.0009","90","","110.589","0.004","90","","1176.55","0.17","91","2","91","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H24 Fe2 -","- C34 H24 Fe2 -","- C68 H48 Fe4 -","2","0.5","","McAdam, C. John; Cameron, Scott A.; Hanton, Lyall R.; Manning, Anthony R.; Moratti, Stephen C.; Simpson, Jim","Probing CH-π(alkyne) interactions in a series of ethynylferrocenes","CrystEngComm","2012","14","13","4369","","10.1039/c2ce25267h","","","0.71073","MoKα","","0.0374","0.0276","","","0.0633","0.0691","","","","","","0.942","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208099","6.0832","0.0004","10.8664","0.0006","18.1086","0.001","90","","99.668","0.003","90","","1180.02","0.12","89","2","89","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H24 Fe2 -","- C34 H24 Fe2 -","- C68 H48 Fe4 -","2","0.5","","McAdam, C. John; Cameron, Scott A.; Hanton, Lyall R.; Manning, Anthony R.; Moratti, Stephen C.; Simpson, Jim","Probing CH-π(alkyne) interactions in a series of ethynylferrocenes","CrystEngComm","2012","14","13","4369","","10.1039/c2ce25267h","","","0.71073","MoKα","","0.0308","0.0288","","","0.0671","0.0685","","","","","","1.06","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208100","13.639","0.005","10.538","0.003","16.393","0.005","90","","91.222","0.005","90","","2355.6","1.3","168","2","168","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C34 H24 Fe2 -","- C34 H24 Fe2 -","- C136 H96 Fe8 -","4","1","","McAdam, C. John; Cameron, Scott A.; Hanton, Lyall R.; Manning, Anthony R.; Moratti, Stephen C.; Simpson, Jim","Probing CH-π(alkyne) interactions in a series of ethynylferrocenes","CrystEngComm","2012","14","13","4369","","10.1039/c2ce25267h","","","0.71073","MoKα","","0.0645","0.0287","","","0.0484","0.0515","","","","","","0.817","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208101","14.6673","0.0009","10.3305","0.0006","12.8647","0.0008","90","","114.247","0.003","90","","1777.31","0.19","91","2","91","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Fe2 -","- C24 H18 Fe2 -","- C96 H72 Fe8 -","4","1","","McAdam, C. John; Cameron, Scott A.; Hanton, Lyall R.; Manning, Anthony R.; Moratti, Stephen C.; Simpson, Jim","Probing CH-π(alkyne) interactions in a series of ethynylferrocenes","CrystEngComm","2012","14","13","4369","","10.1039/c2ce25267h","","","0.71073","MoKα","","0.052","0.0374","","","0.0858","0.0946","","","","","","0.982","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208102","10.5532","0.0008","10.8903","0.0008","13.9116","0.0011","90","","106.76","0.004","90","","1530.9","0.2","89","2","89","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 Fe -","- C22 H16 Fe -","- C88 H64 Fe4 -","4","1","","McAdam, C. John; Cameron, Scott A.; Hanton, Lyall R.; Manning, Anthony R.; Moratti, Stephen C.; Simpson, Jim","Probing CH-π(alkyne) interactions in a series of ethynylferrocenes","CrystEngComm","2012","14","13","4369","","10.1039/c2ce25267h","","","0.71073","MoKα","","0.0421","0.0329","","","0.0774","0.0825","","","","","","1.085","","","","has coordinates,has disorder","180412","2020-10-21","18:00:00",""
"7208103","7.5456","0.0005","10.1672","0.0007","11.635","0.0007","90","","98.492","0.004","90","","882.82","0.1","91","2","91","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Fe2 -","- C24 H20 Fe2 -","- C48 H40 Fe4 -","2","0.5","","McAdam, C. John; Cameron, Scott A.; Hanton, Lyall R.; Manning, Anthony R.; Moratti, Stephen C.; Simpson, Jim","Probing CH-π(alkyne) interactions in a series of ethynylferrocenes","CrystEngComm","2012","14","13","4369","","10.1039/c2ce25267h","","","0.71073","MoKα","","0.037","0.0285","","","0.0658","0.0701","","","","","","1.004","","","","has coordinates,has disorder","180412","2020-10-21","18:00:00",""
"7208104","9.2705","0.0005","9.7701","0.0005","11.4534","0.0006","72.887","0.001","80.213","0.0009","64.052","0.001","890.48","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H19 Co N5 O4 -","- C18 H19 Co N5 O4 -","- C36 H38 Co2 N10 O8 -","2","1","","Zhao, Fanghua; Jing, Shuai; Che, Yunxia; Zheng, Jimin","Metal‒ligand ratio-controlled assembly of two pairs of Co(ii) complexes: syntheses, structures and magnetic properties","CrystEngComm","2012","14","13","4478","","10.1039/c2ce25272d","","","0.71073","MoKα","","0.0348","0.033","","","0.095","0.0967","","","","","","1.011","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208105","11.0663","0.0005","7.617","0.0003","16.0392","0.0007","90","","91.754","0.001","90","","1351.34","0.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 Co N3 O4 -","- C13 H12 Co N3 O4 -","- C52 H48 Co4 N12 O16 -","4","1","","Zhao, Fanghua; Jing, Shuai; Che, Yunxia; Zheng, Jimin","Metal‒ligand ratio-controlled assembly of two pairs of Co(ii) complexes: syntheses, structures and magnetic properties","CrystEngComm","2012","14","13","4478","","10.1039/c2ce25272d","","","0.71073","MoKα","","0.0328","0.0291","","","0.0857","0.0892","","","","","","1.002","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208106","10.195","0.002","10.242","0.005","12.011","0.002","100.37","0.04","95.68","0.03","115.82","0.02","1088","0.7","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H21 Co N5 O5 -","- C22 H21 Co N5 O5 -","- C44 H42 Co2 N10 O10 -","2","1","","Zhao, Fanghua; Jing, Shuai; Che, Yunxia; Zheng, Jimin","Metal‒ligand ratio-controlled assembly of two pairs of Co(ii) complexes: syntheses, structures and magnetic properties","CrystEngComm","2012","14","13","4478","","10.1039/c2ce25272d","","","0.71073","MoKα","","0.1126","0.0742","","","0.19","0.2094","","","","","","1.018","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208107","10.7631","0.0004","11.1927","0.0004","15.5583","0.0006","107.109","0.001","95.305","0.0009","99.155","0.001","1749.15","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H31 Co2 N8 O8 -","- C37 H31 Co2 N8 O8 -","- C74 H62 Co4 N16 O16 -","2","1","","Zhao, Fanghua; Jing, Shuai; Che, Yunxia; Zheng, Jimin","Metal‒ligand ratio-controlled assembly of two pairs of Co(ii) complexes: syntheses, structures and magnetic properties","CrystEngComm","2012","14","13","4478","","10.1039/c2ce25272d","","","0.71073","MoKα","","0.0368","0.0337","","","0.0933","0.0957","","","","","","1.027","","","","has coordinates,has disorder","180412","2020-10-21","18:00:00",""
"7208108","11.8113","0.001","16.3344","0.0014","13.8479","0.0012","90","","112.851","0.001","90","","2462","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H32 O25 Zn3 -","- C12 H32 O25 Zn3 -","- C48 H128 O100 Zn12 -","4","1","","Xing, Feifei; Bai, Yueling; He, Xiang; Jia, Juan; Zhou, Dong; Shao, Min; Zhu, Shourong","Novel complexes constructed by flexible 1,2,3,4,5,6- cyclohexanehexacarboxylate and transition metal ions ‒ From 0D mononuclear to 3D porous coordination polymers","CrystEngComm","2012","14","13","4312","","10.1039/c2ce25283j","","","0.71073","MoKα","","0.0414","0.0302","","","0.0639","0.0689","","","","","","1.059","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208109","11.8151","0.0013","16.3216","0.0019","13.8362","0.0016","90","","112.766","0.001","90","","2460.3","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H32 Co3 O25 -","- C12 H32 Co3 O25 -","- C48 H128 Co12 O100 -","4","1","","Xing, Feifei; Bai, Yueling; He, Xiang; Jia, Juan; Zhou, Dong; Shao, Min; Zhu, Shourong","Novel complexes constructed by flexible 1,2,3,4,5,6- cyclohexanehexacarboxylate and transition metal ions ‒ From 0D mononuclear to 3D porous coordination polymers","CrystEngComm","2012","14","13","4312","","10.1039/c2ce25283j","","","0.71073","MoKα","","0.0591","0.0463","","","0.1092","0.1157","","","","","","1.041","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208110","17.0978","0.0017","8.3863","0.0008","27.613","0.003","90","","104.65","0.001","90","","3830.6","0.7","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H42 Cu5 O38 -","- C24 H42 Cu5 O38 -","- C96 H168 Cu20 O152 -","4","0.5","","Xing, Feifei; Bai, Yueling; He, Xiang; Jia, Juan; Zhou, Dong; Shao, Min; Zhu, Shourong","Novel complexes constructed by flexible 1,2,3,4,5,6- cyclohexanehexacarboxylate and transition metal ions ‒ From 0D mononuclear to 3D porous coordination polymers","CrystEngComm","2012","14","13","4312","","10.1039/c2ce25283j","","","0.71073","MoKα","","0.0279","0.0254","","","0.0698","0.0712","","","","","","1.089","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208111","14.2531","0.0012","14.2531","0.0012","14.554","0.002","90","","90","","120","","2560.5","0.5","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C8 H14 Ni2 O13 -","- C8 H14 Ni2 O13 -","- C72 H126 Ni18 O117 -","9","0.5","","Xing, Feifei; Bai, Yueling; He, Xiang; Jia, Juan; Zhou, Dong; Shao, Min; Zhu, Shourong","Novel complexes constructed by flexible 1,2,3,4,5,6- cyclohexanehexacarboxylate and transition metal ions ‒ From 0D mononuclear to 3D porous coordination polymers","CrystEngComm","2012","14","13","4312","","10.1039/c2ce25283j","","","0.71073","MoKα","","0.0416","0.0352","","","0.1092","0.1124","","","","","","1.238","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208112","10.2897","0.0017","11.3848","0.0019","20.042","0.003","90","","90.712","0.002","90","","2347.7","0.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 N2 O15 Zn -","- C22 H24 N2 O15 Zn -","- C88 H96 N8 O60 Zn4 -","4","1","","Xing, Feifei; Bai, Yueling; He, Xiang; Jia, Juan; Zhou, Dong; Shao, Min; Zhu, Shourong","Novel complexes constructed by flexible 1,2,3,4,5,6- cyclohexanehexacarboxylate and transition metal ions ‒ From 0D mononuclear to 3D porous coordination polymers","CrystEngComm","2012","14","13","4312","","10.1039/c2ce25283j","","","0.71073","MoKα","","0.0578","0.0387","","","0.0848","0.0949","","","","","","1.023","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208113","38.326","0.003","11.334","0.001","26.909","0.004","90","","131.031","0.001","90","","8817.6","1.7","566","2","566","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H35 N7 O16 Zn2 -","- C48 H35 N7 O16 Zn2 -","- C384 H280 N56 O128 Zn16 -","8","1","","Xing, Feifei; Bai, Yueling; He, Xiang; Jia, Juan; Zhou, Dong; Shao, Min; Zhu, Shourong","Novel complexes constructed by flexible 1,2,3,4,5,6- cyclohexanehexacarboxylate and transition metal ions ‒ From 0D mononuclear to 3D porous coordination polymers","CrystEngComm","2012","14","13","4312","","10.1039/c2ce25283j","","","0.71073","MoKα","","0.0753","0.0472","","","0.1175","0.1303","","","","","","1.05","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208114","20.7","0.005","11.623","0.003","29.216","0.006","90","","118.682","0.013","90","","6167","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H54 Cd2 N6 O29 -","- C54 H44 Cd2 N6 O29 -","- C216 H176 Cd8 N24 O116 -","4","1","","Xing, Feifei; Bai, Yueling; He, Xiang; Jia, Juan; Zhou, Dong; Shao, Min; Zhu, Shourong","Novel complexes constructed by flexible 1,2,3,4,5,6- cyclohexanehexacarboxylate and transition metal ions ‒ From 0D mononuclear to 3D porous coordination polymers","CrystEngComm","2012","14","13","4312","","10.1039/c2ce25283j","","","0.71073","MoKα","","0.1355","0.0828","","","0.2369","0.2763","","","","","","0.93","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208115","12.8575","0.0016","14.2518","0.0017","16.053","0.003","101.572","0.002","107.553","0.002","112.338","0.001","2422.8","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H51 Co1.5 N6 O21 -","- C42 H49 Co1.5 N6 O21 -","- C84 H98 Co3 N12 O42 -","2","1","","Xing, Feifei; Bai, Yueling; He, Xiang; Jia, Juan; Zhou, Dong; Shao, Min; Zhu, Shourong","Novel complexes constructed by flexible 1,2,3,4,5,6- cyclohexanehexacarboxylate and transition metal ions ‒ From 0D mononuclear to 3D porous coordination polymers","CrystEngComm","2012","14","13","4312","","10.1039/c2ce25283j","","","0.71073","MoKα","","0.0641","0.0528","","","0.1419","0.1526","","","","","","1.026","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208116","13.138","0.003","11.446","0.002","26.722","0.005","90","","104.23","","90","","3895.1","1.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 Mn N4 O19 -","- C36 H40 Mn N4 O19 -","- C144 H160 Mn4 N16 O76 -","4","1","","Xing, Feifei; Bai, Yueling; He, Xiang; Jia, Juan; Zhou, Dong; Shao, Min; Zhu, Shourong","Novel complexes constructed by flexible 1,2,3,4,5,6- cyclohexanehexacarboxylate and transition metal ions ‒ From 0D mononuclear to 3D porous coordination polymers","CrystEngComm","2012","14","13","4312","","10.1039/c2ce25283j","","","0.71073","MoKα","","0.138","0.0608","","","0.1222","0.1476","","","","","","0.849","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208117","14.3386","0.0007","16.8561","0.0009","16.9461","0.0009","67.343","0.005","84.739","0.004","77.298","0.004","3687.1","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","synthesis as described","","","- C119 H43 Cl4 Fe N4 -","- C118.994 H42.996 Cl3.998 Fe N4 -","- C237.988 H85.992 Cl7.996 Fe2 N8 -","2","1","","Konarev, Dmitri V.; Khasanov, Salavat S.; Faraonov, Maxim A.; Lyubovskaya, Rimma N.","Coordination of fullerene C60 and benzonitrile to iron(ii) tetraphenylporphyrin in the FeIITPP·C60·(C6H4Cl2)2·(C6H14)0.5 and FeIITPP·(C6H5CN)2 complexes","CrystEngComm","2012","14","13","4350","","10.1039/c2ce25295c","","","0.71073","MoKα","","0.105","0.0661","","","0.1938","0.2142","","","","","","1.133","","","","has coordinates,has disorder","180412","2020-10-21","18:00:00",""
"7208118","10.7512","0.0005","10.9907","0.0005","11.0421","0.0005","73.687","0.001","72.95","0.001","62.057","0.001","1085.97","0.09","140","2","140","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C58 H38 Fe N6 -","- C58 H38 Fe N6 -","- C58 H38 Fe N6 -","1","0.5","","Konarev, Dmitri V.; Khasanov, Salavat S.; Faraonov, Maxim A.; Lyubovskaya, Rimma N.","Coordination of fullerene C60 and benzonitrile to iron(ii) tetraphenylporphyrin in the FeIITPP·C60·(C6H4Cl2)2·(C6H14)0.5 and FeIITPP·(C6H5CN)2 complexes","CrystEngComm","2012","14","13","4350","","10.1039/c2ce25295c","","","0.71073","MoKα","","0.048","0.0356","","","0.0818","0.089","","","","","","1.029","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208119","24.2284","0.001","24.2284","0.001","20.6629","0.0016","90","","90","","120","","10504.4","1","123","2","123","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C36 H50.67 Ag2.67 Cl2.67 N8 O12 -","- C36 H50.6633 Ag2.66667 Cl2.66667 N8 O12 -","- C324 H455.97 Ag24 Cl24 N72 O108 -","9","1","","Cheng, Lin; Zhang, Li-Min; Gou, Shao-Hua; Cao, Qing-Na; Wang, Jian-Quan; Fang, Lei","Two temperature-controlled chiral Ag(i) coordination polymers with dual chiral components: synthesis, luminescence and SHG properties","CrystEngComm","2012","14","13","4437","","10.1039/c2ce25317h","","","0.71073","MoKα","","0.08","0.0489","","","0.0954","0.1146","","","","","","1.059","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208120","9.254","0.0019","10.25","0.002","11.625","0.002","90","","104.4","0.003","90","","1068","0.4","291","2","291","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H26 Ag Cl N4 O5 -","- C18 H26 Ag Cl N4 O5 -","- C36 H52 Ag2 Cl2 N8 O10 -","2","1","","Cheng, Lin; Zhang, Li-Min; Gou, Shao-Hua; Cao, Qing-Na; Wang, Jian-Quan; Fang, Lei","Two temperature-controlled chiral Ag(i) coordination polymers with dual chiral components: synthesis, luminescence and SHG properties","CrystEngComm","2012","14","13","4437","","10.1039/c2ce25317h","","","0.71073","MoKα","","0.0762","0.0738","","","0.1717","0.1729","","","","","","1.087","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208121","6.1014","0.001","24.246","0.005","5.1617","0.0008","90","","93.598","0.009","90","","762.1","0.2","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Dibromotetrafluorobenzene","1,3-Dibromotetrafluorobenzene","","- C6 Br2 F4 -","- C6 Br2 F4 -","- C24 Br8 F16 -","4","1","","Nayak, Susanta K.; Terraneo, Giancarlo; Forni, Alessandra; Metrangolo, Pierangelo; Resnati, Giuseppe","C‒Br⋯O supramolecular synthon: in situ cryocrystallography of low melting halogen-bonded complexes","CrystEngComm","2012","14","13","4259","","10.1039/c2ce25403d","","","0.71073","MoKα","","0.0308","0.0215","","","0.0496","0.0522","","","","","","1.097","","","","has coordinates","255754","2020-10-21","18:00:00",""
"7208122","26.751","0.003","8.9439","0.0009","17.2175","0.0018","90","","119.428","0.002","90","","3587.9","0.7","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Dibromotetrafluorobenzene Hexamethyphosphoramide","1,3-Dibromotetrafluorobenzene Hexamethylphosphoramide","","- C12 H18 Br2 F4 N3 O P -","- C12 H18 Br2 F4 N3 O P -","- C96 H144 Br16 F32 N24 O8 P8 -","8","1","","Nayak, Susanta K.; Terraneo, Giancarlo; Forni, Alessandra; Metrangolo, Pierangelo; Resnati, Giuseppe","C‒Br⋯O supramolecular synthon: in situ cryocrystallography of low melting halogen-bonded complexes","CrystEngComm","2012","14","13","4259","","10.1039/c2ce25403d","","","0.71073","MoKα","","0.0365","0.0247","","","0.0543","0.0574","","","","","","1.023","","","","has coordinates","255754","2020-10-21","18:00:00",""
"7208123","10.1518","0.0019","5.3303","0.0011","21.945","0.004","90","","90","","90","","1187.5","0.4","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","Dibromotetrafluorobenzene Dimethyl sulfoxide","1,3-Dibromotetrafluorobenzene Dimethyl sulfoxide","","- C8 H6 Br2 F4 O S -","- C8 H6 Br2 F4 O S -","- C32 H24 Br8 F16 O4 S4 -","4","1","","Nayak, Susanta K.; Terraneo, Giancarlo; Forni, Alessandra; Metrangolo, Pierangelo; Resnati, Giuseppe","C‒Br⋯O supramolecular synthon: in situ cryocrystallography of low melting halogen-bonded complexes","CrystEngComm","2012","14","13","4259","","10.1039/c2ce25403d","","","0.71073","MoKα","","0.0604","0.0412","","","0.0946","0.1341","","","","","","1.09","","","","has coordinates","255754","2020-10-21","18:00:00",""
"7208124","56.546","0.006","8.1861","0.0008","8.6095","0.0009","90","","90","","90","","3985.3","0.7","120","2","120","2","","","","","","","","6","F d d 2","F 2 -2d","43","Dibromotetrafluorobenzene Dimethyl formamide","Dibromotetrafluorobenzene Dimethyl formamide","","- C15 H7 Br4 F8 N O -","- C15 H7 Br4 F8 N O -","- C120 H56 Br32 F64 N8 O8 -","8","0.5","","Nayak, Susanta K.; Terraneo, Giancarlo; Forni, Alessandra; Metrangolo, Pierangelo; Resnati, Giuseppe","C‒Br⋯O supramolecular synthon: in situ cryocrystallography of low melting halogen-bonded complexes","CrystEngComm","2012","14","13","4259","","10.1039/c2ce25403d","","","0.71073","MoKα","","0.0543","0.0352","","","0.0752","0.1013","","","","","","1.184","","","","has coordinates,has disorder","180412","2020-10-21","18:00:00",""
"7208125","15.0427","0.001","19.2867","0.0008","15.3115","0.0007","90","","106.433","0.001","90","","4260.8","0.4","100","2","100","2","","","","","","","synthesis as described","6","I 1 2/a 1","-I 2ya","15","","","","- C32 H48 Cd2 N12 O2 S6 -","- C32 H48 Cd2 N12 O2 S6 -","- C128 H192 Cd8 N48 O8 S24 -","4","0.5","","Martínez-Calvo, Miguel; Pedrido, Rosa; González-Noya, Ana M.; Cwiklinska, Magdalena; Zaragoza, Guillermo; Bermejo, Manuel R.","Chains or grids of cadmium(ii) helicates?","CrystEngComm","2012","14","13","4270","","10.1039/c2ce25551k","","x-ray","0.7107","MoKα","","0.0487","0.0296","","","0.056","0.0619","","","","","","1.02","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208155","12.668","0.005","22.274","0.005","14.366","0.004","90","","123.07","0.02","90","","3397","2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 Ag6 N20 O50 P W12 -","- C24 H16 Ag6 N20 O50 P W12 -","- C48 H32 Ag12 N40 O100 P2 W24 -","2","0.5","","Sha, Jing-Quan; Sun, Jing-Wen; Wang, Cheng; Li, Guang-Ming; Yan, Peng-Fei; Li, Meng-Ting; Liu, Ming-Yuan","Syntheses of POM-templated MOFs containing the isomeric pyridyltetrazole","CrystEngComm","2012","14","15","5053","","10.1039/c2ce00025c","","","0.71069","MoKα","","0.0711","0.0623","","","0.1521","0.1578","","","","","","1.049","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208156","10.231","0.005","12.979","0.005","13.33","0.005","96.035","0.005","112.394","0.005","97.434","0.005","1599.6","1.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H16 Ag7 N20 O40 P W12 -","- C24 H16 Ag7 N20 O40 P W12 -","- C24 H16 Ag7 N20 O40 P W12 -","1","0.5","","Sha, Jing-Quan; Sun, Jing-Wen; Wang, Cheng; Li, Guang-Ming; Yan, Peng-Fei; Li, Meng-Ting; Liu, Ming-Yuan","Syntheses of POM-templated MOFs containing the isomeric pyridyltetrazole","CrystEngComm","2012","14","15","5053","","10.1039/c2ce00025c","","","0.71069","MoKα","","0.0967","0.0623","","","0.1712","0.2002","","","","","","1.04","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208157","12.03","0.005","13.925","0.005","22.761","0.005","95.882","0.005","104.85","0.005","104.044","0.005","3520","2","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H20 Ag7 K N25 O40 Si W12 -","- C30 H20 Ag7 K N25 O40 Si W12 -","- C60 H40 Ag14 K2 N50 O80 Si2 W24 -","2","1","","Sha, Jing-Quan; Sun, Jing-Wen; Wang, Cheng; Li, Guang-Ming; Yan, Peng-Fei; Li, Meng-Ting; Liu, Ming-Yuan","Syntheses of POM-templated MOFs containing the isomeric pyridyltetrazole","CrystEngComm","2012","14","15","5053","","10.1039/c2ce00025c","","","0.71069","MoKα","","0.1243","0.0749","","","0.1768","0.2028","","","","","","1.021","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208158","12.004","0.005","13.943","0.005","22.746","0.005","95.776","0.005","105.206","0.005","104.265","0.005","3504","2","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C60 H40 Ag14 Ge2 Mo24 N50 Na2 O81 -","- C60 H40 Ag14 Ge2 Mo24 N50 Na2 O81 -","- C60 H40 Ag14 Ge2 Mo24 N50 Na2 O81 -","1","0.5","","Sha, Jing-Quan; Sun, Jing-Wen; Wang, Cheng; Li, Guang-Ming; Yan, Peng-Fei; Li, Meng-Ting; Liu, Ming-Yuan","Syntheses of POM-templated MOFs containing the isomeric pyridyltetrazole","CrystEngComm","2012","14","15","5053","","10.1039/c2ce00025c","","","0.71069","MoKα","","0.1517","0.066","","","0.158","0.214","","","","","","1.006","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208159","9.2264","0.0003","7.7926","0.0003","25.4538","0.0009","90","","90","","90","","1830.07","0.11","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H10 Cd O5 -","- C8 H8 Cd O5 -","- C64 H64 Cd8 O40 -","8","1","","Gong, Yun; Wu, Tao; Lin, Jianhua; Wang, Baoshan","Metal‒organic frameworks built from achiral cyclohex-1-ene-1,2-dicarboxylate: syntheses, structures and photoluminescence properties","CrystEngComm","2012","14","17","5649","","10.1039/c2ce06415d","","","0.71073","MoKα","","0.038","0.0347","","","0.0884","0.0895","","","","","","1.275","","","","has coordinates,has disorder","180412","2020-10-21","18:00:00",""
"7208160","12.1516","0.0005","10.0138","0.0003","17.5544","0.0005","90","","107.844","0.004","90","","2033.33","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H42 Cd2 N4 O13 -","- C40 H32 Cd2 N4 O13 -","- C80 H64 Cd4 N8 O26 -","2","0.5","","Gong, Yun; Wu, Tao; Lin, Jianhua; Wang, Baoshan","Metal‒organic frameworks built from achiral cyclohex-1-ene-1,2-dicarboxylate: syntheses, structures and photoluminescence properties","CrystEngComm","2012","14","17","5649","","10.1039/c2ce06415d","","","0.71073","MoKα","","0.0307","0.0242","","","0.0662","0.068","","","","","","1.064","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208161","7.1646","0.0003","9.1391","0.0005","14.6408","0.0007","74.03","0.004","79.564","0.004","83.527","0.004","904.4","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H38 O20 Zn5 -","- C32 H34 O20 Zn5 -","- C32 H34 O20 Zn5 -","1","0.5","","Gong, Yun; Wu, Tao; Lin, Jianhua; Wang, Baoshan","Metal‒organic frameworks built from achiral cyclohex-1-ene-1,2-dicarboxylate: syntheses, structures and photoluminescence properties","CrystEngComm","2012","14","17","5649","","10.1039/c2ce06415d","","","0.71073","MoKα","","0.0604","0.0507","","","0.1413","0.1489","","","","","","1.07","","","","has coordinates,has disorder","180412","2020-10-21","18:00:00",""
"7208162","18.23","0.0004","18.23","0.0004","17.1118","0.0005","90","","90","","120","","4924.9","0.2","293","2","293","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C18 H18 N2 O5 Zn -","- C18 H16 N2 O4 Zn -","- C162 H144 N18 O36 Zn9 -","9","0.5","","Gong, Yun; Wu, Tao; Lin, Jianhua; Wang, Baoshan","Metal‒organic frameworks built from achiral cyclohex-1-ene-1,2-dicarboxylate: syntheses, structures and photoluminescence properties","CrystEngComm","2012","14","17","5649","","10.1039/c2ce06415d","","","0.71073","MoKα","","0.0847","0.0794","","","0.2133","0.2198","","","","","","1.082","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208163","10.0635","0.0005","6.1226","0.0002","19.9763","0.0009","90","","103.34","0.005","90","","1197.63","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 Cu N O4 -","- C13 H12 Cu N O4 -","- C52 H48 Cu4 N4 O16 -","4","1","","Gong, Yun; Wu, Tao; Lin, Jianhua; Wang, Baoshan","Metal‒organic frameworks built from achiral cyclohex-1-ene-1,2-dicarboxylate: syntheses, structures and photoluminescence properties","CrystEngComm","2012","14","17","5649","","10.1039/c2ce06415d","","","0.71073","MoKα","","0.0412","0.0308","","","0.0799","0.0821","","","","","","0.993","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208164","7.316","0.002","32.023","0.005","16.533","0.003","90","","99.91","0.02","90","","3815.6","1.4","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H20 F12 Mn3 O11 -","- C34 H20 F12 Mn3 O11 -","- C136 H80 F48 Mn12 O44 -","4","1","","Bernini, Maria C.; Platero-Prats, Ana E.; Snejko, Natalia; Gutiérrez-Puebla, Enrique; Labrador, Ana; Sáez-Puche, Regino; Romero de Paz, Julio; Monge, M. Angeles","Tuning the magnetic properties of transition metal MOFs by metal‒oxygen condensation control: the relation between synthesis temperature, SBU nuclearity and carboxylate geometry","CrystEngComm","2012","14","17","5493","","10.1039/c2ce06563k","powder diffraction","","1.5405","CuKα","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208165","7.127","0.001","31.803","0.004","16.424","0.002","90","","99.89","0.02","90","","3667.3","0.9","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H20 Co3 F12 O11 -","- C34 H20 Co3 F12 O11 -","- C136 H80 Co12 F48 O44 -","4","1","","Bernini, Maria C.; Platero-Prats, Ana E.; Snejko, Natalia; Gutiérrez-Puebla, Enrique; Labrador, Ana; Sáez-Puche, Regino; Romero de Paz, Julio; Monge, M. Angeles","Tuning the magnetic properties of transition metal MOFs by metal‒oxygen condensation control: the relation between synthesis temperature, SBU nuclearity and carboxylate geometry","CrystEngComm","2012","14","17","5493","","10.1039/c2ce06563k","powder diffraction","","1.54178","CuKα","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208166","7.085","0.002","31.766","0.007","16.404","0.004","90","","99.78","0.04","90","","3638.3","1.6","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H20 F12 Ni3 O11 -","- C34 H20 F12 Ni3 O11 -","- C136 H80 F48 Ni12 O44 -","4","1","","Bernini, Maria C.; Platero-Prats, Ana E.; Snejko, Natalia; Gutiérrez-Puebla, Enrique; Labrador, Ana; Sáez-Puche, Regino; Romero de Paz, Julio; Monge, M. Angeles","Tuning the magnetic properties of transition metal MOFs by metal‒oxygen condensation control: the relation between synthesis temperature, SBU nuclearity and carboxylate geometry","CrystEngComm","2012","14","17","5493","","10.1039/c2ce06563k","powder diffraction","","1.5405","CuKα","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208167","19.0301","0.0014","7.2336","0.0005","20.5002","0.0015","90","","106.629","0.001","90","","2704","0.3","273","2","273","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C51 H25 Co2 F18 O12 -","- C51 H25 Co2 F18 O12 -","- C102 H50 Co4 F36 O24 -","2","0.5","","Bernini, Maria C.; Platero-Prats, Ana E.; Snejko, Natalia; Gutiérrez-Puebla, Enrique; Labrador, Ana; Sáez-Puche, Regino; Romero de Paz, Julio; Monge, M. Angeles","Tuning the magnetic properties of transition metal MOFs by metal‒oxygen condensation control: the relation between synthesis temperature, SBU nuclearity and carboxylate geometry","CrystEngComm","2012","14","17","5493","","10.1039/c2ce06563k","","","0.71073","MoKα","","0.0583","0.0461","","","0.1279","0.1344","","","","","","1.058","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208168","31.9337","0.0015","7.3362","0.0003","22.4953","0.0011","90","","95.275","0.002","90","","5247.7","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C51 H25 F18 Mn2 O12 -","- C51 H25 F18 Mn2 O12 -","- C204 H100 F72 Mn8 O48 -","4","0.5","","Bernini, Maria C.; Platero-Prats, Ana E.; Snejko, Natalia; Gutiérrez-Puebla, Enrique; Labrador, Ana; Sáez-Puche, Regino; Romero de Paz, Julio; Monge, M. Angeles","Tuning the magnetic properties of transition metal MOFs by metal‒oxygen condensation control: the relation between synthesis temperature, SBU nuclearity and carboxylate geometry","CrystEngComm","2012","14","17","5493","","10.1039/c2ce06563k","","","1.54178","CuKα","","0.0526","0.0399","","","0.1108","0.1169","","","","","","1.145","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208169","13.444","0.001","11.48","0.001","12.434","0.001","90","","113.736","0.001","90","","1756.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Nitrofurantoin:citric acid cocrystal","Nitrofurantoin:citric acid cocrystal","","- C14 H14 N4 O12 -","- C14 H14 N4 O12 -","- C56 H56 N16 O48 -","4","1","","Alhalaweh, Amjad; George, Sumod; Basavoju, Srinivas; Childs, Scott L.; Rizvi, Syed A. A.; Velaga, Sitaram P.","Pharmaceutical cocrystals of nitrofurantoin: screening, characterization and crystal structure analysis","CrystEngComm","2012","14","15","5078","","10.1039/c2ce06602e","","","0.71073","MoKα","","0.0936","0.0482","","","0.1063","0.1268","","","","","","1.012","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208170","7.212","0.0006","27.7094","0.0017","12.0909","0.0009","90","","91.789","0.008","90","","2415.1","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N4 O11 -","- C24 H22 N4 O11 -","- C96 H88 N16 O44 -","4","1","","Alhalaweh, Amjad; George, Sumod; Basavoju, Srinivas; Childs, Scott L.; Rizvi, Syed A. A.; Velaga, Sitaram P.","Pharmaceutical cocrystals of nitrofurantoin: screening, characterization and crystal structure analysis","CrystEngComm","2012","14","15","5078","","10.1039/c2ce06602e","","","1.54178","CuKα","","0.1111","0.0891","","","0.2177","0.2326","","","","","","1.016","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208171","12.228","0.002","13.654","0.003","16.958","0.003","77.04","0.01","71.34","0.01","87.9","0.01","2612.3","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H42 Co2 N6 O8 -","- C60 H42 Co2 N6 O8 -","- C120 H84 Co4 N12 O16 -","2","1","","Saha, Rajat; Kumar, Sanjay","{[Co2(ndc)2(bpee)2](bpee)}: a 3D multifunctional MOF","CrystEngComm","2012","14","15","4980","","10.1039/c2ce25092f","","","0.71073","MoKα","","0.1045","0.049","","","0.1171","0.1348","","","","","","0.811","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208172","3.7849","0.0001","7.6754","0.0003","18.1962","0.0006","90","","94.825","0.002","90","","526.74","0.03","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","((4-(hydrazinylcarbonyl)pyridinium)?(but-2-yn-1-olate)","","- C10 H11 N3 O3 -","- C10 H11 N3 O3 -","- C20 H22 N6 O6 -","2","1","","Chiya, Thabang J.; Lemmerer, Andreas","Stoichiometric variation in two molecular salts of the anti-tuberculosis drug isoniazid with 2-butynoic acid","CrystEngComm","2012","14","16","5124","","10.1039/c2ce25101a","","","0.71073","MoKα","","0.0335","0.0316","","","0.0904","0.093","","","","","","0.964","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208173","6.8587","0.0007","13.6008","0.0015","31.175","0.003","90","","90","","90","","2908.1","0.5","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(4-(diazan-2-ium-1-ylcarbonyl)pyridinium)?(but-2-yn-1-olate)2","","- C14 H15 N3 O5 -","- C14 H15 N3 O5 -","- C112 H120 N24 O40 -","8","1","","Chiya, Thabang J.; Lemmerer, Andreas","Stoichiometric variation in two molecular salts of the anti-tuberculosis drug isoniazid with 2-butynoic acid","CrystEngComm","2012","14","16","5124","","10.1039/c2ce25101a","","","0.71073","MoKα","","0.1283","0.0641","","","0.1467","0.1724","","","","","","0.989","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208174","10.3415","0.0009","10.7795","0.001","12.8133","0.0012","90","","110.643","0.002","90","","1336.7","0.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 Cu N3 S2 -","- C13 H11 Cu N3 S2 -","- C52 H44 Cu4 N12 S8 -","4","1","","Song, Li-Sha; Wang, Hong-Mei; Niu, Yun-Yin; Hou, Hong-Wei; Zhu, Yu","The anion exchange reaction of bis(isoquinoline) ionic liquids: self-assembly, crystal structures and thermal properties of ten novel d10 metal (Cu, Ag) halide/thiocyanate supramolecular polymers","CrystEngComm","2012","14","15","4927","","10.1039/c2ce25103e","","","0.71073","MoKα","","0.0482","0.0408","","","0.0988","0.1029","","","","","","1.088","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208175","19.58","0.002","7.2751","0.0005","19.7325","0.0017","90","","111.773","0.011","90","","2610.3","0.4","291","2","291.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H20 Cu2 N6 S4 -","- C25 H20 Cu2 N6 S4 -","- C100 H80 Cu8 N24 S16 -","4","0.5","","Song, Li-Sha; Wang, Hong-Mei; Niu, Yun-Yin; Hou, Hong-Wei; Zhu, Yu","The anion exchange reaction of bis(isoquinoline) ionic liquids: self-assembly, crystal structures and thermal properties of ten novel d10 metal (Cu, Ag) halide/thiocyanate supramolecular polymers","CrystEngComm","2012","14","15","4927","","10.1039/c2ce25103e","","","1.5418","CuKα","","0.0533","0.042","","","0.1027","0.1099","","","","","","1.036","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208176","9.8393","0.0004","14.0296","0.0004","17.5897","0.0006","90","","100.459","0.003","90","","2387.76","0.15","291","2","291.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Cu I3 N2 -","- C22 H22 Cu I3 N2 -","- C88 H88 Cu4 I12 N8 -","4","1","","Song, Li-Sha; Wang, Hong-Mei; Niu, Yun-Yin; Hou, Hong-Wei; Zhu, Yu","The anion exchange reaction of bis(isoquinoline) ionic liquids: self-assembly, crystal structures and thermal properties of ten novel d10 metal (Cu, Ag) halide/thiocyanate supramolecular polymers","CrystEngComm","2012","14","15","4927","","10.1039/c2ce25103e","","","0.7107","MoKα","","0.082","0.0465","","","0.0963","0.1115","","","","","","1.037","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208177","11.1086","0.0004","14.0384","0.0005","16.2597","0.0005","90","","97.968","0.003","90","","2511.17","0.15","291.15","","291.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 Ag I3 N2 -","- C23 H24 Ag I3 N2 -","- C92 H96 Ag4 I12 N8 -","4","1","","Song, Li-Sha; Wang, Hong-Mei; Niu, Yun-Yin; Hou, Hong-Wei; Zhu, Yu","The anion exchange reaction of bis(isoquinoline) ionic liquids: self-assembly, crystal structures and thermal properties of ten novel d10 metal (Cu, Ag) halide/thiocyanate supramolecular polymers","CrystEngComm","2012","14","15","4927","","10.1039/c2ce25103e","","","0.7107","MoKα","","0.0502","0.0334","","","0.0576","0.063","","","","","","1.055","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208178","12.219","0.005","17.56","0.003","12.807","0.003","90","","105.75","0.03","90","","2644.8","1.4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 Ag2 Br4 K0 N2 S0 -","- C24 H24 Ag2 Br4 N2 -","- C96 H96 Ag8 Br16 N8 -","4","0.5","","Song, Li-Sha; Wang, Hong-Mei; Niu, Yun-Yin; Hou, Hong-Wei; Zhu, Yu","The anion exchange reaction of bis(isoquinoline) ionic liquids: self-assembly, crystal structures and thermal properties of ten novel d10 metal (Cu, Ag) halide/thiocyanate supramolecular polymers","CrystEngComm","2012","14","15","4927","","10.1039/c2ce25103e","","","0.71073","MoKα","","0.0729","0.0445","","","0.1017","0.1165","","","","","","0.925","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208179","19.2749","0.0009","13.4627","0.0003","13.9207","0.0007","90","","127.679","0.007","90","","2859","0.3","291.15","","291.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H26 Ag2 I4 N2 -","- C24 H26 Ag2 I4 N2 -","- C96 H104 Ag8 I16 N8 -","4","0.5","","Song, Li-Sha; Wang, Hong-Mei; Niu, Yun-Yin; Hou, Hong-Wei; Zhu, Yu","The anion exchange reaction of bis(isoquinoline) ionic liquids: self-assembly, crystal structures and thermal properties of ten novel d10 metal (Cu, Ag) halide/thiocyanate supramolecular polymers","CrystEngComm","2012","14","15","4927","","10.1039/c2ce25103e","","","0.7107","MoKα","","0.0407","0.0323","","","0.0675","0.0715","","","","","","1.068","","","","has coordinates,has disorder","180412","2020-10-21","18:00:00",""
"7208180","8.1247","0.0007","9.132","0.0008","10.6624","0.001","101.94","0.008","94.339","0.008","107.73","0.008","729.01","0.12","290.65","","290.65","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H13 Cu N3 S2 -","- C14 H13 Cu N3 S2 -","- C28 H26 Cu2 N6 S4 -","2","1","","Song, Li-Sha; Wang, Hong-Mei; Niu, Yun-Yin; Hou, Hong-Wei; Zhu, Yu","The anion exchange reaction of bis(isoquinoline) ionic liquids: self-assembly, crystal structures and thermal properties of ten novel d10 metal (Cu, Ag) halide/thiocyanate supramolecular polymers","CrystEngComm","2012","14","15","4927","","10.1039/c2ce25103e","","","0.7107","MoKα","","0.1022","0.0794","","","0.188","0.2099","","","","","","1.04","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208181","11.2795","0.0006","11.5483","0.0005","14.8788","0.0007","102.264","0.004","103.873","0.004","113.119","0.004","1625.26","0.17","291.15","","291.15","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H33 Cu2 I4 N3 O -","- C27 H33 Cu2 I4 N3 O -","- C54 H66 Cu4 I8 N6 O2 -","2","1","","Song, Li-Sha; Wang, Hong-Mei; Niu, Yun-Yin; Hou, Hong-Wei; Zhu, Yu","The anion exchange reaction of bis(isoquinoline) ionic liquids: self-assembly, crystal structures and thermal properties of ten novel d10 metal (Cu, Ag) halide/thiocyanate supramolecular polymers","CrystEngComm","2012","14","15","4927","","10.1039/c2ce25103e","","","0.7107","MoKα","","0.0579","0.0383","","","0.0737","0.0814","","","","","","1.014","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208182","11.1577","0.0017","13.17","0.002","17.106","0.003","70.799","0.003","77.497","0.003","72.017","0.003","2239.3","0.6","298","2","298.15","","","","","","","","","8","P -1","-P 1","2","","","","- C72 H80 Cu6 I8 Mo2 N8 O4 S6 -","- C72 H80 Cu6 I8 Mo2 N8 O4 S6 -","- C72 H80 Cu6 I8 Mo2 N8 O4 S6 -","1","0.5","","Song, Li-Sha; Wang, Hong-Mei; Niu, Yun-Yin; Hou, Hong-Wei; Zhu, Yu","The anion exchange reaction of bis(isoquinoline) ionic liquids: self-assembly, crystal structures and thermal properties of ten novel d10 metal (Cu, Ag) halide/thiocyanate supramolecular polymers","CrystEngComm","2012","14","15","4927","","10.1039/c2ce25103e","","","0.71073","MOKα","","0.0981","0.0784","","","0.1935","0.2053","","","","","","1.094","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208183","10.8645","0.0006","17.4604","0.0006","7.1481","0.0004","90","","99.857","0.005","90","","1335.97","0.12","291","2","291.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 Cu N3 S2 -","- C12 H9 Cu N3 S2 -","- C48 H36 Cu4 N12 S8 -","4","1","","Song, Li-Sha; Wang, Hong-Mei; Niu, Yun-Yin; Hou, Hong-Wei; Zhu, Yu","The anion exchange reaction of bis(isoquinoline) ionic liquids: self-assembly, crystal structures and thermal properties of ten novel d10 metal (Cu, Ag) halide/thiocyanate supramolecular polymers","CrystEngComm","2012","14","15","4927","","10.1039/c2ce25103e","","","1.5418","CuKα","","0.0437","0.034","","","0.0887","0.0958","","","","","","1.045","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208184","9.253","0.003","14.658","0.004","16.195","0.005","90","","90","","90","","2196.5","1.2","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H32 Br2 N4 O2 -","- C16 H32 Br2 N4 O2 -","- C64 H128 Br8 N16 O8 -","4","0.5","","Tadesse, Haregewine; Blake, Alexander J.; Champness, Neil R.; Warren, John E.; Rizkallah, Pierre J.; Licence, Peter","Supramolecular architectures of symmetrical dicationic ionic liquid based systems","CrystEngComm","2012","14","15","4886","","10.1039/c2ce25106j","","","0.71073","MoKα","","0.0263","0.0204","","","0.0481","0.0502","","","","","","1.04","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208185","7.3281","0.0007","12.81","0.0012","11.3249","0.001","90","","95.503","0.002","90","","1058.2","0.17","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H32 Br2 N4 -","- C18 H32 Br2 N4 -","- C36 H64 Br4 N8 -","2","0.5","","Tadesse, Haregewine; Blake, Alexander J.; Champness, Neil R.; Warren, John E.; Rizkallah, Pierre J.; Licence, Peter","Supramolecular architectures of symmetrical dicationic ionic liquid based systems","CrystEngComm","2012","14","15","4886","","10.1039/c2ce25106j","","","0.71073","MoKα","","0.0346","0.029","","","0.0695","0.0717","","","","","","1.06","","","","has coordinates,has disorder","180412","2020-10-21","18:00:00",""
"7208186","6.1057","0.0005","14.4418","0.0013","13.3895","0.0012","90","","96.981","0.002","90","","1171.9","0.18","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H32 B2 F8 N4 -","- C18 H32 B2 F8 N4 -","- C36 H64 B4 F16 N8 -","2","0.5","","Tadesse, Haregewine; Blake, Alexander J.; Champness, Neil R.; Warren, John E.; Rizkallah, Pierre J.; Licence, Peter","Supramolecular architectures of symmetrical dicationic ionic liquid based systems","CrystEngComm","2012","14","15","4886","","10.1039/c2ce25106j","","","0.6703","synchrotron","","0.0987","0.0861","","","0.255","0.271","","","","","","1.07","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7208187","8.402","0.002","8.826","0.002","23.752","0.005","79.88","0.002","86.97","0.002","63.148","0.002","1546.3","0.6","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C28.4 H45.6 Br2 N4 -","- C20 H36 Br2 N4 -","- C40 H72 Br4 N8 -","2","1","","Tadesse, Haregewine; Blake, Alexander J.; Champness, Neil R.; Warren, John E.; Rizkallah, Pierre J.; Licence, Peter","Supramolecular architectures of symmetrical dicationic ionic liquid based systems","CrystEngComm","2012","14","15","4886","","10.1039/c2ce25106j","","","0.6703","synchrotron","","0.0716","0.0418","","","0.1","0.107","","","","","","0.86","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208188","5.1006","0.0007","6.1168","0.0008","6.9894","0.001","85.396","0.011","82.199","0.012","85.176","0.011","214.76","0.05","120","","120","","","","","","","","","4","P -1","-P 1","2","Fumaric acid:Pyrazine cocrystal","","","- C8 H8 N2 O4 -","- C8 H8 N2 O4 -","- C8 H8 N2 O4 -","1","0.5","","Arhangelskis, Mihails; Lloyd, Gareth O.; Jones, William","Mechanochemical synthesis of pyrazine:dicarboxylic acid cocrystals and a study of dissociation by quantitative phase analysis","CrystEngComm","2012","14","16","5203","","10.1039/c2ce25121c","","","0.7107","MoKα","","0.088","0.0591","","","0.1271","0.1521","","","","","","1.068","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208189","6.9344","0.00024","13.59704","0.00073","14.51054","0.00072","90","","122.209","0.0029","90","","1157.62","0.1","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","pyrazine:phtalic acid cocrystal","pyrazine:phthalic acid cocrystal","","- C12 H10 N2 O4 -","- C12 H10 N2 O4 -","- C48 H40 N8 O16 -","4","1","","Arhangelskis, Mihails; Lloyd, Gareth O.; Jones, William","Mechanochemical synthesis of pyrazine:dicarboxylic acid cocrystals and a study of dissociation by quantitative phase analysis","CrystEngComm","2012","14","16","5203","","10.1039/c2ce25121c","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","0.034","1.064","","","","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208190","8.5311","0.0004","5.1286","0.0002","10.2947","0.0005","90","","103.012","0.005","90","","438.85","0.04","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H10 N2 O4 -","- C8 H10 N2 O4 -","- C16 H20 N4 O8 -","2","0.5","","Arhangelskis, Mihails; Lloyd, Gareth O.; Jones, William","Mechanochemical synthesis of pyrazine:dicarboxylic acid cocrystals and a study of dissociation by quantitative phase analysis","CrystEngComm","2012","14","16","5203","","10.1039/c2ce25121c","","","1.5418","CuKα","","0.0529","0.0509","","","0.1348","0.1368","","","","","","1.044","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208191","3.81056","0.0001","7.07204","0.00032","11.50344","0.00044","94.9505","0.0015","93.5324","0.002","115.275","0.0018","277.604","0.019","295","","295","","","","","","","","","4","P -1","-P 1","2","pyrazine:terephthalic acid cocrystal","pyrazine:terephthalic acid cocrystal","","- C12 H10 N2 O4 -","- C12 H10 N2 O4 -","- C12 H10 N2 O4 -","1","0.5","","Arhangelskis, Mihails; Lloyd, Gareth O.; Jones, William","Mechanochemical synthesis of pyrazine:dicarboxylic acid cocrystals and a study of dissociation by quantitative phase analysis","CrystEngComm","2012","14","16","5203","","10.1039/c2ce25121c","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","0.016","2.445","","","","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208192","8.6405","0.0012","16.365","0.003","26.485","0.004","90","","90","","90","","3745","1","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H26 N6 Pr S4 Sb -","- C8 H17 N6 Pr S4 Sb -","- C64 H136 N48 Pr8 S32 Sb8 -","8","1","","Tang, Weiwei; Chen, Ruihong; Zhao, Jing; Jiang, Wenqing; Zhang, Yong; Jia, Dingxian","Solvothermal syntheses and characterizations of lanthanide(iii)/SbS43− complexes associated by a dien ligand: A detailed study based on the lanthanide contraction effect","CrystEngComm","2012","14","15","5021","","10.1039/c2ce25135c","","","0.71073","MoKα","","0.0458","0.0432","","","0.0982","0.0989","","","","","","1.141","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208193","8.6296","0.0013","16.264","0.003","26.393","0.004","90","","90","","90","","3704.3","1","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H26 N6 Nd S4 Sb -","- C8 H17 N6 Nd S4 Sb -","- C64 H136 N48 Nd8 S32 Sb8 -","8","1","","Tang, Weiwei; Chen, Ruihong; Zhao, Jing; Jiang, Wenqing; Zhang, Yong; Jia, Dingxian","Solvothermal syntheses and characterizations of lanthanide(iii)/SbS43− complexes associated by a dien ligand: A detailed study based on the lanthanide contraction effect","CrystEngComm","2012","14","15","5021","","10.1039/c2ce25135c","","","0.71073","MoKα","","0.0419","0.0323","","","0.0706","0.0818","","","","","","1.135","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208194","8.6501","0.0005","16.2077","0.0009","26.3582","0.0017","90","","90","","90","","3695.4","0.4","223","2","223","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H26 N6 S4 Sb Sm -","- C8 H17 N6 S4 Sb Sm -","- C64 H136 N48 S32 Sb8 Sm8 -","8","1","","Tang, Weiwei; Chen, Ruihong; Zhao, Jing; Jiang, Wenqing; Zhang, Yong; Jia, Dingxian","Solvothermal syntheses and characterizations of lanthanide(iii)/SbS43− complexes associated by a dien ligand: A detailed study based on the lanthanide contraction effect","CrystEngComm","2012","14","15","5021","","10.1039/c2ce25135c","","","0.71073","MoKα","","0.0592","0.0494","","","0.1036","0.1079","","","","","","1.155","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208195","15.868","0.005","9.12","0.003","13.562","0.004","90","","108.982","0.007","90","","1855.9","1","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H26 Eu N6 S4 Sb -","- C8 H26 Eu N6 S4 Sb -","- C32 H104 Eu4 N24 S16 Sb4 -","4","0.5","","Tang, Weiwei; Chen, Ruihong; Zhao, Jing; Jiang, Wenqing; Zhang, Yong; Jia, Dingxian","Solvothermal syntheses and characterizations of lanthanide(iii)/SbS43− complexes associated by a dien ligand: A detailed study based on the lanthanide contraction effect","CrystEngComm","2012","14","15","5021","","10.1039/c2ce25135c","","","0.71073","MoKα","","0.0412","0.0326","","","0.0676","0.0699","","","","","","1.119","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208196","15.82","0.003","9.1718","0.0014","13.531","0.002","90","","108.997","0.004","90","","1856.4","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H26 Dy N6 S4 Sb -","- C8 H26 Dy N6 S4 Sb -","- C32 H104 Dy4 N24 S16 Sb4 -","4","0.5","","Tang, Weiwei; Chen, Ruihong; Zhao, Jing; Jiang, Wenqing; Zhang, Yong; Jia, Dingxian","Solvothermal syntheses and characterizations of lanthanide(iii)/SbS43− complexes associated by a dien ligand: A detailed study based on the lanthanide contraction effect","CrystEngComm","2012","14","15","5021","","10.1039/c2ce25135c","","","0.7107","MoKα","","0.0259","0.0248","","","0.0617","0.0627","","","","","","1.111","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208197","16.5428","0.0003","25.8974","0.0004","22.5225","0.0004","90","","98.881","0.001","90","","9533.3","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Ni(en)(tren)]4Sb14S25","","","- C32 H104 N24 Ni4 S25 Sb14 -","- C32 H104 N24 Ni4 S25 Sb14 -","- C128 H416 N96 Ni16 S100 Sb56 -","4","1","","Seidlhofer, Beatrix; Näther, Christian; Bensch, Wolfgang","Using a Ni2+ complex as a structure-directing molecule: solvothermal synthesis and properties of [Ni(en)(tren)]4Sb14S25 featuring an unprecedented three-dimensional network architecture","CrystEngComm","2012","14","17","5441","","10.1039/c2ce25141h","","","0.71073","MoKα","","0.0469","0.0357","","","0.0763","0.08","","","","","","1.05","","","","has coordinates,has disorder","180412","2020-10-21","18:00:00",""
"7208198","13.576","0.003","17.145","0.003","18.09","0.004","86.72","0.03","79.1","0.03","77.04","0.03","4028.9","1.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","(bpy)0.5(Dy3(ip)4(phen)4(H2O))2H2O","","","- C85 H58 Dy3 N9 O19 -","- C85 H58 Dy3 N9 O19 -","- C170 H116 Dy6 N18 O38 -","2","1","","Cai, Bowei; Ren, Yanwei; Jiang, Huanfeng; Zheng, De; Shi, Dabin; Qian, Yuying; Chen, Jun","A mixed-valence lanthanide metal‒organic framework, templated by 2,2′-bipyridine formed in situ reaction: synthesis, structure, and luminescent properties","CrystEngComm","2012","14","16","5285","","10.1039/c2ce25160d","","","0.71073","MoKα","","0.0842","0.0803","","","0.1323","0.135","","","","","","1.078","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208199","20.6365","0.0004","18.1133","0.0004","12.6984","0.0002","90","","90","","90","","4746.6","0.16","293","2","293","2","","","","","","","","7","A m a 2","A 2 -2a","40","","","","- C42 H37 B Cd3 F5 N7 O8 -","- C42 H37 B Cd3 F5 N7 O8 -","- C168 H148 B4 Cd12 F20 N28 O32 -","4","0.5","","Xie, Zai-Lai; Feng, Mei-Ling; Tan, Bin; Huang, Xiao-Ying","The multifunctional roles of the ionic liquid [Bmim][BF4] in the creation of cadmium metal‒organic frameworks","CrystEngComm","2012","14","15","4894","","10.1039/c2ce25169h","","","0.71073","MoKα","","0.0348","0.0331","","","0.0874","0.0882","","","","","","1.072","","","","has coordinates,has disorder","180412","2020-10-21","18:00:00",""
"7208200","22.028","0.006","12.607","0.003","23.179","0.006","90","","103.76","0.005","90","","6252","3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C60 H54 B2 Cd3 F9 N11 O8 -","- C60 H54 B2 Cd3 F9 N11 O8 -","- C240 H216 B8 Cd12 F36 N44 O32 -","4","0.5","","Xie, Zai-Lai; Feng, Mei-Ling; Tan, Bin; Huang, Xiao-Ying","The multifunctional roles of the ionic liquid [Bmim][BF4] in the creation of cadmium metal‒organic frameworks","CrystEngComm","2012","14","15","4894","","10.1039/c2ce25169h","","","0.71073","MoKα","","0.0291","0.0269","","","0.0683","0.0703","","","","","","1.045","","","","has coordinates,has disorder","180413","2020-10-21","18:00:00",""
"7208201","21.892","0.01","12.609","0.005","23.263","0.01","90","","102.894","0.007","90","","6260","5","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C58 H48 B2 Cd3 F9 N11 O8 -","- C58 H48 B2 Cd3 F9 N11 O8 -","- C232 H192 B8 Cd12 F36 N44 O32 -","4","0.5","","Xie, Zai-Lai; Feng, Mei-Ling; Tan, Bin; Huang, Xiao-Ying","The multifunctional roles of the ionic liquid [Bmim][BF4] in the creation of cadmium metal‒organic frameworks","CrystEngComm","2012","14","15","4894","","10.1039/c2ce25169h","","","0.71073","MoKα","","0.0671","0.0504","","","0.0987","0.109","","","","","","1.095","","","","has coordinates,has disorder","180413","2020-10-21","18:00:00",""
"7208202","7.879","0.014","13.43","0.02","20.78","0.04","75.33","0.03","83.25","0.02","87.71","0.03","2112","6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H44 Ba O25 S2 -","- C34 H44 Ba O25 S2 -","- C68 H88 Ba2 O50 S4 -","2","1","","Zhang, Zun-Ting; Wang, Qiu-Ya; Li, Wu-Wu; Meng, Qing-Hua; Zhang, Xue-Ling","Four 3D metal‒organic frameworks derived from barium(ii) and isoflavonesulfonate ligands","CrystEngComm","2012","14","15","5042","","10.1039/c2ce25173f","","","0.71073","MoKα","","0.1197","0.0698","","","0.1544","0.1815","","","","","","1.037","","","","has coordinates","189184","2020-10-21","18:00:00",""
"7208203","6.9077","0.0019","39.21","0.011","13.137","0.004","90","","95.785","0.004","90","","3540","1.8","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H34 Ba O22 S2 -","- C30 H34 Ba O22 S2 -","- C120 H136 Ba4 O88 S8 -","4","1","","Zhang, Zun-Ting; Wang, Qiu-Ya; Li, Wu-Wu; Meng, Qing-Hua; Zhang, Xue-Ling","Four 3D metal‒organic frameworks derived from barium(ii) and isoflavonesulfonate ligands","CrystEngComm","2012","14","15","5042","","10.1039/c2ce25173f","","","0.71073","MoKα","","0.1","0.0511","","","0.0853","0.0969","","","","","","0.928","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208204","7.752","0.007","9.78","0.008","15.148","0.013","77.246","0.013","84.484","0.014","70.415","0.012","1055","1.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H46 Ba O26 S2 -","- C32 H46 Ba O26 S2 -","- C32 H46 Ba O26 S2 -","1","0.5","","Zhang, Zun-Ting; Wang, Qiu-Ya; Li, Wu-Wu; Meng, Qing-Hua; Zhang, Xue-Ling","Four 3D metal‒organic frameworks derived from barium(ii) and isoflavonesulfonate ligands","CrystEngComm","2012","14","15","5042","","10.1039/c2ce25173f","","","0.71073","MoKα","","0.0684","0.0506","","","0.1084","0.115","","","","","","0.956","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208205","7.237","0.001","8.322","0.001","37.233","0.007","93.16","0.01","93.7","0.01","90.82","0.01","2234","0.6","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H46 Ba O28 S2 -","- C34 H46 Ba O28 S2 -","- C68 H92 Ba2 O56 S4 -","2","1","","Zhang, Zun-Ting; Wang, Qiu-Ya; Li, Wu-Wu; Meng, Qing-Hua; Zhang, Xue-Ling","Four 3D metal‒organic frameworks derived from barium(ii) and isoflavonesulfonate ligands","CrystEngComm","2012","14","15","5042","","10.1039/c2ce25173f","","","0.71073","MoKα","","0.07","0.044","","","0.1019","0.1151","","","","","","1.048","","","","has coordinates","189184","2020-10-21","18:00:00",""
"7208206","13.302","0.003","7.5138","0.0015","16.637","0.003","90","","103.61","0.03","90","","1616.2","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 N8 Ni -","- C14 H18 N8 Ni -","- C56 H72 N32 Ni4 -","4","1","","Lu, Zhengliang; Gamez, Patrick; Kou, Hui-Zhong; Fan, Chunhua; Zhang, Haitao; Sun, Guoxin","Spin canting and metamagnetism in the two azido-bridged 1D complexes [Ni(3,5-dmpy)2(N3)2]n and [Co1.5(3,5-dmpy)3(N3)3]n","CrystEngComm","2012","14","15","5035","","10.1039/c2ce25174d","","","0.71073","MoKα","","0.0907","0.0413","","","0.1006","0.1125","","","","","","0.96","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208207","11.559","0.002","14.136","0.003","16.174","0.003","90","","98.08","0.03","90","","2616.6","0.9","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H27 Co1.5 N12 -","- C21 H27 Co1.5 N12 -","- C84 H108 Co6 N48 -","4","1","","Lu, Zhengliang; Gamez, Patrick; Kou, Hui-Zhong; Fan, Chunhua; Zhang, Haitao; Sun, Guoxin","Spin canting and metamagnetism in the two azido-bridged 1D complexes [Ni(3,5-dmpy)2(N3)2]n and [Co1.5(3,5-dmpy)3(N3)3]n","CrystEngComm","2012","14","15","5035","","10.1039/c2ce25174d","","","0.71073","MoKα","","0.061","0.0474","","","0.122","0.1308","","","","","","1.064","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7208208","14.4403","0.0004","27.2329","0.0006","9.8291","0.0003","90","","90","","90","","3865.31","0.18","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C42 H30 Cd4 O17 -","- C42 H30.002 Cd4.0004 O17.002 -","- C168 H120.008 Cd16.0016 O68.008 -","4","0.5","","Fang, Shao-Ming; Chen, Min; Yang, Xiao-Gang; Wang, Cong; Du, Miao; Liu, Chun-Sen","An unusual (4,10)-connected 3-D metal‒organic framework based on non-planar tricarboxyl tecton and tetracadmium(ii) secondary building units","CrystEngComm","2012","14","16","5299","","10.1039/c2ce25194a","","","1.54178","CuKα","","0.0706","0.063","","","0.1528","0.1578","","","","","","1.109","","","","has coordinates,has disorder","180413","2020-10-21","18:00:00",""
"7208209","11.134","0.002","16.751","0.003","9.859","0.002","90","","106.73","0.03","90","","1760.9","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H24 Ag N2 O6 -","- C15 H24 Ag N2 O6 -","- C60 H96 Ag4 N8 O24 -","4","1","","Luo, Geng-Geng; Wu, Dong-Liang; Wu, Ji-Huai; Xia, Jiu-Xu; Liu, Li; Dai, Jing-Cao","Direct observation of conformational change of adipate dianions encapsulated in water clusters","CrystEngComm","2012","14","17","5377","","10.1039/c2ce25200g","","","0.71073","MoKα","","0.0339","0.0271","","","0.082","0.0941","","","","","","1.127","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208210","8.9962","0.0018","25.246","0.005","35.1","0.007","90","","90","","90","","7972","3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H56 Ag2 N4 O14 -","- C32 H56 Ag2 N4 O14 -","- C256 H448 Ag16 N32 O112 -","8","1","","Luo, Geng-Geng; Wu, Dong-Liang; Wu, Ji-Huai; Xia, Jiu-Xu; Liu, Li; Dai, Jing-Cao","Direct observation of conformational change of adipate dianions encapsulated in water clusters","CrystEngComm","2012","14","17","5377","","10.1039/c2ce25200g","","","0.71073","MoKα","","0.1137","0.0701","","","0.1878","0.2159","","","","","","1.036","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208211","14.5232","0.0006","21.131","0.0009","16.0399","0.0007","90","","103.615","0.002","90","","4784.2","0.4","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C30 H26 Cd N4 O6 -","- C30 H26 Cd N4 O6 -","- C120 H104 Cd4 N16 O24 -","4","1","","Sie, Ming-Jhe; Chang, Yin-Jui; Cheng, Po-Wen; Kuo, Po-Ting; Yeh, Chun-Wei; Cheng, Chi-Feng; Chen, Jhy-Der; Wang, Ju-Chun","Interpenetrated and polycatenated nets of Cd(ii) coordination networks from mixed N,N′-dipyridyladipoamide and dicarboxylate ligands","CrystEngComm","2012","14","17","5505","","10.1039/c2ce25202c","","","0.71073","MoKα","","0.0965","0.0493","","","0.1038","0.1112","","","","","","1.031","","","","has coordinates,has disorder","180413","2020-10-21","18:00:00",""
"7208212","10.7477","0.0002","36.4644","0.0007","15.9903","0.0003","90","","93.996","0.001","90","","6251.5","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H66 Cd2 N10 O16 -","- C62 H53 Cd2 N10 O16 -","- C248 H212 Cd8 N40 O64 -","4","1","","Sie, Ming-Jhe; Chang, Yin-Jui; Cheng, Po-Wen; Kuo, Po-Ting; Yeh, Chun-Wei; Cheng, Chi-Feng; Chen, Jhy-Der; Wang, Ju-Chun","Interpenetrated and polycatenated nets of Cd(ii) coordination networks from mixed N,N′-dipyridyladipoamide and dicarboxylate ligands","CrystEngComm","2012","14","17","5505","","10.1039/c2ce25202c","","","0.71073","MoKα","","0.102","0.0641","","","0.1387","0.1542","","","","","","1.057","","","","has coordinates,has disorder","180413","2020-10-21","18:00:00",""
"7208213","12.23","0.002","14.6964","0.0015","18.117","0.003","90","","94.946","0.014","90","","3244.2","0.8","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 Cd N4 O9 -","- C30 H30 Cd N4 O9 -","- C120 H120 Cd4 N16 O36 -","4","1","","Sie, Ming-Jhe; Chang, Yin-Jui; Cheng, Po-Wen; Kuo, Po-Ting; Yeh, Chun-Wei; Cheng, Chi-Feng; Chen, Jhy-Der; Wang, Ju-Chun","Interpenetrated and polycatenated nets of Cd(ii) coordination networks from mixed N,N′-dipyridyladipoamide and dicarboxylate ligands","CrystEngComm","2012","14","17","5505","","10.1039/c2ce25202c","","","0.71073","MoKα","","0.1088","0.0489","","","0.1006","0.1204","","","","","","1.001","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208214","7.9666","0.0002","13.4111","0.0004","14.7643","0.0004","78.541","0.001","82.979","0.001","89.223","0.001","1534.3","0.07","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H29 Cd N4 O9.5 S -","- C30 H28 Cd N4 O9.5 S -","- C60 H56 Cd2 N8 O19 S2 -","2","1","","Sie, Ming-Jhe; Chang, Yin-Jui; Cheng, Po-Wen; Kuo, Po-Ting; Yeh, Chun-Wei; Cheng, Chi-Feng; Chen, Jhy-Der; Wang, Ju-Chun","Interpenetrated and polycatenated nets of Cd(ii) coordination networks from mixed N,N′-dipyridyladipoamide and dicarboxylate ligands","CrystEngComm","2012","14","17","5505","","10.1039/c2ce25202c","","","0.71073","MoKα","","0.0399","0.0338","","","0.083","0.088","","","","","","1.033","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7208215","11.299","0.0001","15.7788","0.0002","16.5709","0.0002","90","","109.139","0.001","90","","2791.04","0.06","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H30 Cd N4 O9 -","- C28 H30 Cd N4 O9 -","- C112 H120 Cd4 N16 O36 -","4","1","","Sie, Ming-Jhe; Chang, Yin-Jui; Cheng, Po-Wen; Kuo, Po-Ting; Yeh, Chun-Wei; Cheng, Chi-Feng; Chen, Jhy-Der; Wang, Ju-Chun","Interpenetrated and polycatenated nets of Cd(ii) coordination networks from mixed N,N′-dipyridyladipoamide and dicarboxylate ligands","CrystEngComm","2012","14","17","5505","","10.1039/c2ce25202c","","","0.71073","MoKα","","0.0486","0.031","","","0.0678","0.0748","","","","","","1.02","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208216","16.6358","0.0013","14.0938","0.0011","19.7424","0.0017","90","","101.88","0.003","90","","4529.7","0.6","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C84 H92 N14 O28 Sm2 -","- C84 H92 N14 O28 Sm2 -","- C168 H184 N28 O56 Sm4 -","2","0.5","","Yan, Xuhuan; Yan, Zhenzhong; Zhang, Ye; Liu, Weisheng; Tang, Yu; Tan, Minyu","Anions make the difference: conversion from zero- to one-dimensional structures and luminescent properties of lanthanide-based complexes","CrystEngComm","2012","14","15","4989","","10.1039/c2ce25210d","","","0.71073","MoKα","","0.0505","0.0352","","","0.0777","0.0852","","","","","","1.027","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208217","16.6144","0.0003","14.0677","0.0002","19.7534","0.0003","90","","102.096","0.001","90","","4514.39","0.13","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C84 H92 Eu2 N14 O28 -","- C84 H92 Eu2 N14 O28 -","- C168 H184 Eu4 N28 O56 -","2","0.5","","Yan, Xuhuan; Yan, Zhenzhong; Zhang, Ye; Liu, Weisheng; Tang, Yu; Tan, Minyu","Anions make the difference: conversion from zero- to one-dimensional structures and luminescent properties of lanthanide-based complexes","CrystEngComm","2012","14","15","4989","","10.1039/c2ce25210d","","","0.71073","MoKα","","0.0798","0.0417","","","0.0759","0.0881","","","","","","1.028","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208218","16.5638","0.0002","14.0683","0.0002","19.7449","0.0003","90","","102.227","0.001","90","","4496.68","0.11","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C84 H92 N14 O28 Tb2 -","- C84 H92 N14 O28 Tb2 -","- C168 H184 N28 O56 Tb4 -","2","0.5","","Yan, Xuhuan; Yan, Zhenzhong; Zhang, Ye; Liu, Weisheng; Tang, Yu; Tan, Minyu","Anions make the difference: conversion from zero- to one-dimensional structures and luminescent properties of lanthanide-based complexes","CrystEngComm","2012","14","15","4989","","10.1039/c2ce25210d","","","0.71073","MoKα","","0.0638","0.0374","","","0.0724","0.0821","","","","","","1.062","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208219","16.5259","0.0005","14.0911","0.0004","19.6787","0.0006","90","","102.043","0.001","90","","4481.7","0.2","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C84 H92 Dy2 N14 O28 -","- C84 H92 Dy2 N14 O28 -","- C168 H184 Dy4 N28 O56 -","2","0.5","","Yan, Xuhuan; Yan, Zhenzhong; Zhang, Ye; Liu, Weisheng; Tang, Yu; Tan, Minyu","Anions make the difference: conversion from zero- to one-dimensional structures and luminescent properties of lanthanide-based complexes","CrystEngComm","2012","14","15","4989","","10.1039/c2ce25210d","","","0.71073","MoKα","","0.0465","0.0319","","","0.0666","0.0739","","","","","","1","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208220","16.7358","0.0003","14.0425","0.0003","19.7825","0.0004","90","","101.823","0.001","90","","4550.5","0.16","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C84 H92 N14 O28 Pr2 -","- C84 H92 N14 O28 Pr2 -","- C168 H184 N28 O56 Pr4 -","2","0.5","","Yan, Xuhuan; Yan, Zhenzhong; Zhang, Ye; Liu, Weisheng; Tang, Yu; Tan, Minyu","Anions make the difference: conversion from zero- to one-dimensional structures and luminescent properties of lanthanide-based complexes","CrystEngComm","2012","14","15","4989","","10.1039/c2ce25210d","","","0.71073","MoKα","","0.0469","0.0335","","","0.0799","0.0882","","","","","","1.022","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208221","13.6963","0.0009","15.9834","0.0014","17.5498","0.0012","96.547","0.002","109.724","0.001","114.266","0.001","3150.8","0.4","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C59 H51 N12 Nd O26 -","- C59 H51 N12 Nd O26 -","- C118 H102 N24 Nd2 O52 -","2","1","","Yan, Xuhuan; Yan, Zhenzhong; Zhang, Ye; Liu, Weisheng; Tang, Yu; Tan, Minyu","Anions make the difference: conversion from zero- to one-dimensional structures and luminescent properties of lanthanide-based complexes","CrystEngComm","2012","14","15","4989","","10.1039/c2ce25210d","","","0.71073","MoKα","","0.1047","0.058","","","0.1147","0.1397","","","","","","1.011","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208222","13.6916","0.0011","15.905","0.0012","17.5187","0.0013","96.56","0.001","109.334","0.001","114.127","0.001","3144.3","0.4","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C59 H51 Eu N12 O26 -","- C59 H51 Eu N12 O26 -","- C118 H102 Eu2 N24 O52 -","2","1","","Yan, Xuhuan; Yan, Zhenzhong; Zhang, Ye; Liu, Weisheng; Tang, Yu; Tan, Minyu","Anions make the difference: conversion from zero- to one-dimensional structures and luminescent properties of lanthanide-based complexes","CrystEngComm","2012","14","15","4989","","10.1039/c2ce25210d","","","0.71073","MoKα","","0.0776","0.0498","","","0.1025","0.1184","","","","","","1.026","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208223","13.6842","0.0015","15.8378","0.0017","17.499","0.0018","96.651","0.002","109.062","0.002","114.164","0.002","3130.6","0.6","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C59 H51 N12 O26 Tb -","- C59 H51 N12 O26 Tb -","- C118 H102 N24 O52 Tb2 -","2","1","","Yan, Xuhuan; Yan, Zhenzhong; Zhang, Ye; Liu, Weisheng; Tang, Yu; Tan, Minyu","Anions make the difference: conversion from zero- to one-dimensional structures and luminescent properties of lanthanide-based complexes","CrystEngComm","2012","14","15","4989","","10.1039/c2ce25210d","","","0.71073","MoKα","","0.0879","0.0562","","","0.1247","0.1463","","","","","","1.006","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208224","13.7022","0.001","15.7923","0.0011","17.4802","0.0012","96.643","0.001","108.935","0.001","114.149","0.001","3126.6","0.4","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C59 H51 Er N12 O26 -","- C59 H51 Er N12 O26 -","- C118 H102 Er2 N24 O52 -","2","1","","Yan, Xuhuan; Yan, Zhenzhong; Zhang, Ye; Liu, Weisheng; Tang, Yu; Tan, Minyu","Anions make the difference: conversion from zero- to one-dimensional structures and luminescent properties of lanthanide-based complexes","CrystEngComm","2012","14","15","4989","","10.1039/c2ce25210d","","","0.71073","MoKα","","0.0643","0.0449","","","0.063","0.0676","","","","","","1.197","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208225","3.9099","0.0001","20.2636","0.0003","15.3093","0.0003","90","","91.346","0.001","90","","1212.6","0.04","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","coumarin-3-carboxylic acid+4,4'-bipyridine","","- C30 H20 N2 O8 -","- C30 H20 N2 O8 -","- C60 H40 N4 O16 -","2","0.5","","Yan, Dongpeng; Delori, Amit; Lloyd, Gareth O.; Patel, Bhavnita; Friščić, Tomislav; Day, Graeme M.; Bučar, Dejan-Krešimir; Jones, William; Lu, Jun; Wei, Min; Evans, David G.; Duan, Xue","Modification of luminescent properties of a coumarin derivative by formation of multi-component crystals","CrystEngComm","2012","14","16","5121","","10.1039/c2ce25217a","","","0.71073","MoKα","","0.1073","0.0565","","","0.1405","0.1641","","","","","","1.06","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208226","16.3933","0.0006","4.8921","0.0002","16.5326","0.0008","90","","103.209","0.002","90","","1290.8","0.1","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","coumarin-3-carboxylic acid+4,4'-bipyridylethane","","- C32 H24 N2 O8 -","- C32 H24 N2 O8 -","- C64 H48 N4 O16 -","2","0.5","","Yan, Dongpeng; Delori, Amit; Lloyd, Gareth O.; Patel, Bhavnita; Friščić, Tomislav; Day, Graeme M.; Bučar, Dejan-Krešimir; Jones, William; Lu, Jun; Wei, Min; Evans, David G.; Duan, Xue","Modification of luminescent properties of a coumarin derivative by formation of multi-component crystals","CrystEngComm","2012","14","16","5121","","10.1039/c2ce25217a","","","0.71073","MoKα","","0.0787","0.0445","","","0.1022","0.1095","","","","","","0.893","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208227","16.2227","0.0004","5.0257","0.0001","16.315","0.0005","90","","100.918","0.001","90","","1306.09","0.06","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","coumarin-3-carboxylic acid+4,4'-bipyridylethene","","- C32 H22 N2 O8 -","- C32 H22 N2 O8 -","- C64 H44 N4 O16 -","2","0.5","","Yan, Dongpeng; Delori, Amit; Lloyd, Gareth O.; Patel, Bhavnita; Friščić, Tomislav; Day, Graeme M.; Bučar, Dejan-Krešimir; Jones, William; Lu, Jun; Wei, Min; Evans, David G.; Duan, Xue","Modification of luminescent properties of a coumarin derivative by formation of multi-component crystals","CrystEngComm","2012","14","16","5121","","10.1039/c2ce25217a","","","0.71073","MoKα","","0.054","0.0413","","","0.1003","0.1089","","","","","","1.042","","","","has coordinates,has disorder","180413","2020-10-21","18:00:00",""
"7208228","13.8797","0.0002","12.9776","0.0005","7.3847","0.0006","90","","90.383","0.002","90","","1330.14","0.12","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","coumarin-3-carboxylic acid+pyridine-2,6-diamine","","- C15 H13 N3 O4 -","- C15 H13 N3 O4 -","- C60 H52 N12 O16 -","4","1","","Yan, Dongpeng; Delori, Amit; Lloyd, Gareth O.; Patel, Bhavnita; Friščić, Tomislav; Day, Graeme M.; Bučar, Dejan-Krešimir; Jones, William; Lu, Jun; Wei, Min; Evans, David G.; Duan, Xue","Modification of luminescent properties of a coumarin derivative by formation of multi-component crystals","CrystEngComm","2012","14","16","5121","","10.1039/c2ce25217a","","","0.71073","MoKα","","0.0549","0.0343","","","0.0696","0.0726","","","","","","0.981","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208229","8.893","0.002","9.167","0.002","11.326","0.003","101.69","0.02","112.91","0.02","99.21","0.02","803.1","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H11 N3 O7 Zn2 -","- C17 H11 N3 O7 Zn2 -","- C34 H22 N6 O14 Zn4 -","2","1","","Wang, Nan; Ma, Jian-Gong; Shi, Wei; Cheng, Peng","Two novel complexes based on hexagonal-planar {Co6} and rhombic {Zn4} clusters with different eight-connected topologies","CrystEngComm","2012","14","17","5634","","10.1039/c2ce25224d","","","0.71073","MoKα","","0.0383","0.031","","","0.0731","0.0754","","","","","","0.986","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208230","22.2357","0.0003","22.2357","0.0003","33.9623","0.0005","90","","90","","90","","16791.9","0.4","293","2","293","2","","","","","","","","6","I 41 m d","I 4bw -2","109","","","","- C19 H18 Cl0.5 Co1.5 N6 O3.5 -","- C19 H16.5 Cl0.5 Co1.5 N6 O3.5 -","- C304 H264 Cl8 Co24 N96 O56 -","16","1","","Wang, Nan; Ma, Jian-Gong; Shi, Wei; Cheng, Peng","Two novel complexes based on hexagonal-planar {Co6} and rhombic {Zn4} clusters with different eight-connected topologies","CrystEngComm","2012","14","17","5634","","10.1039/c2ce25224d","","","0.71073","MoKα","","0.0723","0.0649","","","0.1844","0.193","","","","","","1.086","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208231","7.094","0.005","7.094","0.005","16.721","0.015","90","","90","","120","","728.7","1","293","","293","","","","","","","","","4","R -3 :H","-R 3","148","","","","- B6 Ba2 Mg O12 -","- B6 Ba2 Mg O12 -","- B18 Ba6 Mg3 O36 -","3","0.166667","","Li, R. K.; Ma, Yingying","Chemical engineering of a birefringent crystal transparent in the deep UV range","CrystEngComm","2012","14","17","5421","","10.1039/c2ce25240f","","","0.71075","MoKα","","0.0321","0.0278","","","0.0595","0.0686","","","","","","1.073","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208232","9.0076","0.0014","9.0531","0.0014","10.02","0.003","101.061","0.003","109.377","0.003","109.873","0.002","680.8","0.3","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H11 Fe1.5 N O10 P2 -","- C8 H11 Fe1.5 N O10 P2 -","- C16 H22 Fe3 N2 O20 P4 -","2","1","","Li, Chao; Jiao, Cheng-Qi; Sun, Zhen-Gang; Chen, Kai; Wang, Cheng-Lin; Zhu, Yan-Yu; Zhu, Jiang; Zhao, Yan; Zheng, Ming-Jing; Sun, Shou-Hui; Chu, Wei; Tian, Hui","Synthesis, structures and surface photovoltage properties of four novel metal phosphonates with a 3D supramolecular structure","CrystEngComm","2012","14","17","5479","","10.1039/c2ce25249j","","","0.71073","MoKα","","0.0806","0.0506","","","0.1023","0.1192","","","","","","1.036","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208233","8.9878","0.0013","8.9936","0.0013","9.906","0.002","100.295","0.003","109.135","0.002","110.215","0.002","670.28","0.19","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H11 Co1.5 N O10 P2 -","- C8 H11 Co1.5 N O10 P2 -","- C16 H22 Co3 N2 O20 P4 -","2","1","","Li, Chao; Jiao, Cheng-Qi; Sun, Zhen-Gang; Chen, Kai; Wang, Cheng-Lin; Zhu, Yan-Yu; Zhu, Jiang; Zhao, Yan; Zheng, Ming-Jing; Sun, Shou-Hui; Chu, Wei; Tian, Hui","Synthesis, structures and surface photovoltage properties of four novel metal phosphonates with a 3D supramolecular structure","CrystEngComm","2012","14","17","5479","","10.1039/c2ce25249j","","","0.71073","MoKα","","0.0524","0.0394","","","0.0907","0.099","","","","","","1.031","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208234","8.9851","0.0011","9.067","0.0011","9.88","0.002","100.371","0.002","108.901","0.002","110.549","0.002","672.71","0.18","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H11 N O10 P2 Zn1.5 -","- C8 H11 N O10 P2 Zn1.5 -","- C16 H22 N2 O20 P4 Zn3 -","2","1","","Li, Chao; Jiao, Cheng-Qi; Sun, Zhen-Gang; Chen, Kai; Wang, Cheng-Lin; Zhu, Yan-Yu; Zhu, Jiang; Zhao, Yan; Zheng, Ming-Jing; Sun, Shou-Hui; Chu, Wei; Tian, Hui","Synthesis, structures and surface photovoltage properties of four novel metal phosphonates with a 3D supramolecular structure","CrystEngComm","2012","14","17","5479","","10.1039/c2ce25249j","","","0.71073","MoKα","","0.0519","0.0417","","","0.1144","0.1212","","","","","","1.076","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208235","8.689","0.003","9.088","0.003","9.476","0.005","109.937","0.005","100.801","0.005","110.262","0.004","619","0.4","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H9 Cu1.5 N O9 P2 -","- C8 H9 Cu1.5 N O9 P2 -","- C16 H18 Cu3 N2 O18 P4 -","2","1","","Li, Chao; Jiao, Cheng-Qi; Sun, Zhen-Gang; Chen, Kai; Wang, Cheng-Lin; Zhu, Yan-Yu; Zhu, Jiang; Zhao, Yan; Zheng, Ming-Jing; Sun, Shou-Hui; Chu, Wei; Tian, Hui","Synthesis, structures and surface photovoltage properties of four novel metal phosphonates with a 3D supramolecular structure","CrystEngComm","2012","14","17","5479","","10.1039/c2ce25249j","","","0.71073","MoKα","","0.0868","0.0568","","","0.1238","0.1423","","","","","","1.038","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208236","8.915","0.0005","18.9641","0.0014","9.7505","0.0005","90","","112.112","0.006","90","","1527.22","0.17","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H34 Cl2 Cu2 N8 O10 -","- C22 H34 Cl2 Cu2 N8 O10 -","- C44 H68 Cl4 Cu4 N16 O20 -","2","0.5","","Banerjee, Ishita; Dolai, Malay; Jana, Atish Dipankar; Das, Kalyan K.; Ali, Mahammad","σ-Aromaticity in dinuclear copper(ii) complexes: Novel interaction between perchlorate anion and σ-aromatic [Cu2X2] (X = N or O) core","CrystEngComm","2012","14","15","4972","","10.1039/c2ce25265a","","","0.71073","MoKα","","0.03","0.0238","","","0.0603","0.0633","","","","","","0.971","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208237","10.5249","0.0011","11.8458","0.0013","14.1564","0.0015","92.248","0.004","96.654","0.003","94.316","0.003","1746.1","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H32 Cl2 Cu2 N14 O9 -","- C21 H32 Cl2 Cu2 N14 O9 -","- C42 H64 Cl4 Cu4 N28 O18 -","2","1","","Banerjee, Ishita; Dolai, Malay; Jana, Atish Dipankar; Das, Kalyan K.; Ali, Mahammad","σ-Aromaticity in dinuclear copper(ii) complexes: Novel interaction between perchlorate anion and σ-aromatic [Cu2X2] (X = N or O) core","CrystEngComm","2012","14","15","4972","","10.1039/c2ce25265a","","","0.71073","MoKα","","0.0755","0.0428","","","0.0843","0.0976","","","","","","1.038","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208238","15.74","0.0004","15.1252","0.0004","10.9849","0.0003","90","","94.104","0.001","90","","2608.48","0.12","298","","298","","","","","","","","","4","P 1 21 1","P 2yb","4","2-((1S,2S,4R,8S,9S,11S,12R,13S)-12'-fluoro-11'-hydroxy-9',13'- dimethyl -16'-oxo-5',7'-dioxaspiro(cyclopentane-1,6'-pentacyclo (10.8.0.02,9.04,8.013,18)icosane)-14',17'-dien-8'-yl)-2-oxoethyl acetate","2-[(1S,2S,4R,8S,9S,11S,12R,13S)-12'-fluoro-11'-hydroxy-9',13'-dimethyl -16'-oxo-5',7'-dioxaspiro[cyclopentane-1,6'-pentacyclo [10.8.0.02,9.04,8.013,18]icosane]-14',17'-dien-8'-yl]-2-oxoethyl acetate","","- C28 H35 F O7 -","- C28 H35 F O7 -","- C112 H140 F4 O28 -","4","2","","Pagola, Silvina; Stephens, Peter W.","Structural study of an unusually large molecular solid from powder diffraction: the sequential unravelling of hydrogen bonding and van der Waals interactions contributing to the Z′ = 2 crystal packing of amcinonide","CrystEngComm","2012","14","16","5349","","10.1039/c2ce25274k","powder diffraction","","0.69733","synchrotron","","","","","","","","","0.0611","1.46","","","","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208239","10.6908","0.0003","10.6908","0.0003","92.65","0.002","90","","90","","120","","9170.6","0.4","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C54 H56 Cd Cl2 N18 O12 -","- C54 H48 Cd Cl2 N18 O12 -","- C324 H288 Cd6 Cl12 N108 O72 -","6","0.166667","","Wang, Nan; Ma, Jian-Gong; Shi, Wei; Cheng, Peng","Two novel Cd(ii) complexes with unprecedented four- and six-fold interpenetration","CrystEngComm","2012","14","16","5198","","10.1039/c2ce25282a","","","0.71073","MoKα","","0.0562","0.0491","","","0.1529","0.161","","","","","","1.103","","","","has coordinates,has disorder","180413","2020-10-21","18:00:00",""
"7208240","15.2257","0.0004","9.4717","0.0003","21.6848","0.0008","90","","124.913","0.002","90","","2564.4","0.15","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C26 H23.5 Cd N6 O6 -","- C26 H24 Cd N6 O6 -","- C104 H96 Cd4 N24 O24 -","4","1","","Wang, Nan; Ma, Jian-Gong; Shi, Wei; Cheng, Peng","Two novel Cd(ii) complexes with unprecedented four- and six-fold interpenetration","CrystEngComm","2012","14","16","5198","","10.1039/c2ce25282a","","","0.71073","MoKα","","0.0391","0.0324","","","0.0781","0.083","","","","","","1.063","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208241","6.3752","0.0013","7.1912","0.0014","8.2477","0.0016","73.61","0.03","68.38","0.03","66.73","0.03","318.76","0.14","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C3 H6 Li O6 S -","- C3 H6 Li O6 S -","- C6 H12 Li2 O12 S2 -","2","1","","Wan, Wang; Zhu, Zhi-Biao; Huo, Li-Hua; Deng, Zhao-Peng; Zhao, Hui; Gao, Shan","Syntheses, structures and luminescent properties of lithium(i)-sulfonate complexes constructed from ortho-hydroxyl arenedisulfonic acids: structural evolution tuned by the pH, coordination geometry and modes","CrystEngComm","2012","14","16","5274","","10.1039/c2ce25292a","","","0.71073","MoKα","","0.0464","0.0306","","","0.0697","0.0927","","","","","","1.062","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208242","4.8192","0.001","7.1534","0.0014","8.3947","0.0017","92.21","0.03","93.66","0.03","101.87","0.03","282.23","0.1","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C3 H4 Li O5 S -","- C3 H4 Li O5 S -","- C6 H8 Li2 O10 S2 -","2","1","","Wan, Wang; Zhu, Zhi-Biao; Huo, Li-Hua; Deng, Zhao-Peng; Zhao, Hui; Gao, Shan","Syntheses, structures and luminescent properties of lithium(i)-sulfonate complexes constructed from ortho-hydroxyl arenedisulfonic acids: structural evolution tuned by the pH, coordination geometry and modes","CrystEngComm","2012","14","16","5274","","10.1039/c2ce25292a","","","0.71073","MoKα","","0.0507","0.0451","","","0.1095","0.1252","","","","","","1.031","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208243","36.593","0.007","12.589","0.003","10.619","0.002","90","","90","","90","","4891.8","1.8","295","2","295","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C18 H38 Li12 O49 S6 -","- C18 H38 Li12 O49 S6 -","- C72 H152 Li48 O196 S24 -","4","0.5","","Wan, Wang; Zhu, Zhi-Biao; Huo, Li-Hua; Deng, Zhao-Peng; Zhao, Hui; Gao, Shan","Syntheses, structures and luminescent properties of lithium(i)-sulfonate complexes constructed from ortho-hydroxyl arenedisulfonic acids: structural evolution tuned by the pH, coordination geometry and modes","CrystEngComm","2012","14","16","5274","","10.1039/c2ce25292a","","","0.71073","MoKα","","0.0558","0.0496","","","0.1239","0.129","","","","","","1.041","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208244","18.13","0.004","9.0962","0.0018","13.786","0.003","90","","90","","90","","2273.5","0.8","295","2","295","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C6 H8 Li N O8 S2 -","- C6 H8 Li N O8 S2 -","- C48 H64 Li8 N8 O64 S16 -","8","","","Wan, Wang; Zhu, Zhi-Biao; Huo, Li-Hua; Deng, Zhao-Peng; Zhao, Hui; Gao, Shan","Syntheses, structures and luminescent properties of lithium(i)-sulfonate complexes constructed from ortho-hydroxyl arenedisulfonic acids: structural evolution tuned by the pH, coordination geometry and modes","CrystEngComm","2012","14","16","5274","","10.1039/c2ce25292a","","","0.71073","MoKα","","0.0324","0.0309","","","0.0911","0.0922","","","","","","1.084","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208245","7.7858","0.0016","8.8783","0.0018","9.1955","0.0018","83","0.03","66.68","0.03","75.45","0.03","564.8","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H8 Li2 O10 S2 -","- C6 H8 Li2 O10 S2 -","- C12 H16 Li4 O20 S4 -","2","1","","Wan, Wang; Zhu, Zhi-Biao; Huo, Li-Hua; Deng, Zhao-Peng; Zhao, Hui; Gao, Shan","Syntheses, structures and luminescent properties of lithium(i)-sulfonate complexes constructed from ortho-hydroxyl arenedisulfonic acids: structural evolution tuned by the pH, coordination geometry and modes","CrystEngComm","2012","14","16","5274","","10.1039/c2ce25292a","","","0.71073","MoKα","","0.0373","0.0295","","","0.078","0.1018","","","","","","1.063","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208246","13.552","0.003","15.623","0.003","7.5203","0.0015","90","","90","","90","","1592.2","0.6","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C3 H7 Li2 O7 S -","- C3 H7 Li2 O7 S -","- C24 H56 Li16 O56 S8 -","8","1","","Wan, Wang; Zhu, Zhi-Biao; Huo, Li-Hua; Deng, Zhao-Peng; Zhao, Hui; Gao, Shan","Syntheses, structures and luminescent properties of lithium(i)-sulfonate complexes constructed from ortho-hydroxyl arenedisulfonic acids: structural evolution tuned by the pH, coordination geometry and modes","CrystEngComm","2012","14","16","5274","","10.1039/c2ce25292a","","","0.71073","MoKα","","0.0363","0.0328","","","0.0902","0.0951","","","","","","1.062","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208247","12.7186","0.0018","12.7186","0.0018","14.914","0.003","90","","90","","120","","2089.3","0.6","153","","153","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B15 K6 Li3 O30 Sc2 -","- B15 K6 Li2.996 O30 Sc2 -","- B45 K18 Li8.988 O90 Sc6 -","3","0.166667","","Zhao, Sangen; Zhang, Guochun; Yao, Jiyong; Wu, Yicheng","K6Li3Sc2B15O30: A new nonlinear optical crystal with a short absorption edge","CrystEngComm","2012","14","16","5209","","10.1039/c2ce25304f","","","0.71073","MoKα","","0.0663","0.0607","","","0.0925","0.0946","","","","","","1.399","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208248","10.5079","0.0009","12.9602","0.0011","13.1352","0.0011","93.012","0.006","111.868","0.005","112.108","0.005","1498.9","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H23 N3 O3 -","- C14 H23 N3 O3 -","- C56 H92 N12 O12 -","4","2","","André, Vânia; M. da Piedade, M. Fátima; Duarte, M. Teresa","Revisiting paracetamol in a quest for new co-crystals","CrystEngComm","2012","14","15","5005","","10.1039/c2ce25307k","","","0.71069","MoKα","","0.0942","0.0536","","","0.1378","0.1684","","","","","","1.099","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208249","9.3456","0.001","15.431","0.0017","16.3804","0.0018","86.584","0.003","73.955","0.003","84.942","0.003","2259.9","0.4","227","2","227","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H64 N8 O12 -","- C43 H64 N8 O12 -","- C86 H128 N16 O24 -","2","1","","André, Vânia; M. da Piedade, M. Fátima; Duarte, M. Teresa","Revisiting paracetamol in a quest for new co-crystals","CrystEngComm","2012","14","15","5005","","10.1039/c2ce25307k","","","0.71073","MoKα","","0.0995","0.0466","","","0.0945","0.1074","","","","","","0.939","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208250","12.226","0.002","11.891","0.002","13.689","0.002","90","","90","","90","","1990.1","0.6","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Paracetamol_morpholine","","","- C10 H13.5 N1.5 O2.5 -","- C10 H13.5 N O3 -","- C80 H108 N8 O24 -","8","1","","André, Vânia; M. da Piedade, M. Fátima; Duarte, M. Teresa","Revisiting paracetamol in a quest for new co-crystals","CrystEngComm","2012","14","15","5005","","10.1039/c2ce25307k","","","0.71069","MoKα","","0.0526","0.0459","","","0.1476","0.1524","","","","","","1.123","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208251","17.236","0.002","6.6721","0.0008","12.6429","0.0015","90","","104.02","0.002","90","","1410.6","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 N2 O5 Sr -","- C15 H10 N2 O5 Sr -","- C60 H40 N8 O20 Sr4 -","4","1","","Guo, Mengwei; Chen, Nan; Yue, Zhifang; Zhang, Yu; Li, Gang","Two unprecedented strontium(ii) and cadmium(ii) MOFs constructed from 2-naphthyl imidazole dicarboxylate ligand","CrystEngComm","2012","14","15","4955","","10.1039/c2ce25314c","","","0.71073","MoKα","","0.0765","0.0437","","","0.0827","0.0896","","","","","","1.07","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208252","22.658","0.003","22.658","0.003","14.766","0.004","90","","90","","90","","7581","2","296","2","296","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C17 H14 Cd N2 O5 -","- C17 H14 Cd N2 O5 -","- C272 H224 Cd16 N32 O80 -","16","1","","Guo, Mengwei; Chen, Nan; Yue, Zhifang; Zhang, Yu; Li, Gang","Two unprecedented strontium(ii) and cadmium(ii) MOFs constructed from 2-naphthyl imidazole dicarboxylate ligand","CrystEngComm","2012","14","15","4955","","10.1039/c2ce25314c","","","0.71073","MoKα","","0.0974","0.0694","","","0.2166","0.2419","","","","","","1.013","","","","has coordinates,has disorder","180413","2020-10-21","18:00:00",""
"7208253","3.7935","0.0002","27.8954","0.0016","7.0172","0.0004","90","","94.891","0.003","90","","739.86","0.07","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","3-methoxysalicylic acid","'3-methoxy-2-hydroxobenzoic acid","","- C8 H8 O4 -","- C8 H8 O4 -","- C32 H32 O16 -","4","1","","Montis, Riccardo; Hursthouse, Michael B.","Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids","CrystEngComm","2012","14","16","5242","","10.1039/c2ce25336d","","","0.71073","MoKα","","0.0532","0.042","","","0.1122","0.1187","","","","","","1.083","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208254","17.9971","0.0003","14.3789","0.0002","6.7337","0.0001","90","","91.121","0.001","90","","1742.2","0.05","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","3-methoxysalicylic acid monohydrate","3-methoxy-2-hydroxobenzoic acid monohydrate","","- C8 H10 O5 -","- C8 H10 O5 -","- C64 H80 O40 -","8","2","","Montis, Riccardo; Hursthouse, Michael B.","Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids","CrystEngComm","2012","14","16","5242","","10.1039/c2ce25336d","","","0.71073","MoKα","","0.0435","0.0368","","","0.0912","0.0959","","","","","","1.062","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208255","3.5943","0.0002","21.115","0.002","10.7227","0.001","90","","98.95","0.006","90","","803.88","0.12","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-nitro-2-hydroxybenzoic acid","3-nitro-2-hydroxybenzoic acid","","- C7 H7 N O6 -","- C7 H5 N O6 -","- C28 H20 N4 O24 -","4","1","","Montis, Riccardo; Hursthouse, Michael B.","Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids","CrystEngComm","2012","14","16","5242","","10.1039/c2ce25336d","","","0.71073","MoKα","","0.1163","0.0669","","","0.137","0.1548","","","","","","1.068","","","","has coordinates,has disorder","180413","2020-10-21","18:00:00",""
"7208256","13.5482","0.0008","5.0245","0.0003","12.9394","0.0006","90","","90","","90","","880.82","0.08","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","4-actyamino-2-hydroxobenzoic acid","4-actyamino-2-hydroxobenzoic acid","","- C9 H9 N O4 -","- C9 H9 N O4 -","- C36 H36 N4 O16 -","4","1","","Montis, Riccardo; Hursthouse, Michael B.","Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids","CrystEngComm","2012","14","16","5242","","10.1039/c2ce25336d","","","0.71073","MoKα","","0.0415","0.0368","","","0.0913","0.0948","","","","","","1.055","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208257","7.1371","0.0003","3.7278","0.0002","24.4465","0.0012","90","","94.386","0.002","90","","648.51","0.05","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","4-amino-2-hydroxobenzoic acid","4-amino-2-hydroxobenzoic acid","","- C7 H7 N O3 -","- C7 H7 N O3 -","- C28 H28 N4 O12 -","4","1","","Montis, Riccardo; Hursthouse, Michael B.","Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids","CrystEngComm","2012","14","16","5242","","10.1039/c2ce25336d","","","0.71073","MoKα","","0.056","0.0458","","","0.1123","0.1221","","","","","","1.053","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208258","3.7241","0.0002","14.4178","0.0008","12.9156","0.0006","90","","97.933","0.003","90","","686.85","0.06","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-chlorosalicylic acid","4-chloro-2-hydroxobenzoic acid","","- C7 H5 Cl O3 -","- C7 H5 Cl O3 -","- C28 H20 Cl4 O12 -","4","1","","Montis, Riccardo; Hursthouse, Michael B.","Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids","CrystEngComm","2012","14","16","5242","","10.1039/c2ce25336d","","","0.71073","MoKα","","0.0638","0.0488","","","0.0944","0.1033","","","","","","1.098","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208259","4.9629","0.0002","11.0915","0.0008","13.6559","0.0009","90","","98.788","0.004","90","","742.88","0.08","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","4-methoxy-2-hydroxobenzoic acid","4-methoxy-2-hydroxobenzoic acid","","- C8 H8 O4 -","- C8 H8 O4 -","- C32 H32 O16 -","4","1","","Montis, Riccardo; Hursthouse, Michael B.","Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids","CrystEngComm","2012","14","16","5242","","10.1039/c2ce25336d","","","0.71073","MoKα","","0.064","0.0481","","","0.1178","0.1274","","","","","","1.098","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208260","3.8685","0.0003","7.238","0.0009","13.2142","0.0015","100.756","0.005","93.271","0.007","90.788","0.007","362.8","0.07","120","2","120","2","","","","","","","","3","P -1","-P 1","2","4-methylsalicylic acid","4-methyl-2-hydroxobenzoic acid","","- C8 H8 O3 -","- C8 H8 O3 -","- C16 H16 O6 -","2","1","","Montis, Riccardo; Hursthouse, Michael B.","Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids","CrystEngComm","2012","14","16","5242","","10.1039/c2ce25336d","","","0.71073","MoKα","","0.1054","0.0653","","","0.1704","0.1947","","","","","","1.077","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208261","3.7472","0.0004","11.5109","0.0017","21.979","0.003","90","","90","","90","","948","0.2","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","5-acetylamino-2-hydroxobenzoic acid monohydrate","5-acetylamino-2-hydroxobenzoic acid monohydrate","","- C9 H11 N O5 -","- C9 H11 N O5 -","- C36 H44 N4 O20 -","4","1","","Montis, Riccardo; Hursthouse, Michael B.","Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids","CrystEngComm","2012","14","16","5242","","10.1039/c2ce25336d","","","0.71073","MoKα","","0.1151","0.0804","","","0.1573","0.1788","","","","","","1.082","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208262","3.7239","0.0002","7.3696","0.0004","23.3107","0.0011","90","","91.806","0.003","90","","639.41","0.06","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","5-aminosalicylic_acid","5-amino-2-hydroxobenzoic acid monohydrate","","- C7 H7 N O3 -","- C7 H7 N O3 -","- C28 H28 N4 O12 -","4","1","","Montis, Riccardo; Hursthouse, Michael B.","Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids","CrystEngComm","2012","14","16","5242","","10.1039/c2ce25336d","","","0.71073","MoKα","","0.068","0.046","","","0.1159","0.127","","","","","","1.04","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208263","4.8514","0.0001","11.6936","0.0003","14.4341","0.0003","109.991","0.001","98.066","0.002","101.168","0.001","735.75","0.03","120","2","120","2","","","","","","","","4","P -1","-P 1","2","5-bromosalicylic acid alpha","","","- C7 H5 Br O3 -","- C7 H5 Br O3 -","- C28 H20 Br4 O12 -","4","2","","Montis, Riccardo; Hursthouse, Michael B.","Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids","CrystEngComm","2012","14","16","5242","","10.1039/c2ce25336d","","","0.71073","MoKα","","0.0247","0.0212","","","0.049","0.0509","","","","","","1.074","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208264","6.9625","0.0002","7.1714","0.0003","8.016","0.0003","82.112","0.002","73.835","0.002","71.272","0.002","363.56","0.02","120","2","120","2","","","","","","","","4","P -1","-P 1","2","5-bromosalicylic acid beta","","","- C7 H5 Br O3 -","- C7 H5 Br O3 -","- C14 H10 Br2 O6 -","2","1","","Montis, Riccardo; Hursthouse, Michael B.","Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids","CrystEngComm","2012","14","16","5242","","10.1039/c2ce25336d","","","0.71073","MoKα","","0.0298","0.025","","","0.0532","0.0584","","","","","","1.192","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208265","38.4671","0.0015","4.5765","0.0002","19.93","0.0007","90","","118.789","0.002","90","","3074.9","0.2","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","5-iodosalicylic_acid","5-iodo-2-hydroxobenzoic acid","","- C7 H5 I O3 -","- C7 H5 I O3 -","- C112 H80 I16 O48 -","16","2","","Montis, Riccardo; Hursthouse, Michael B.","Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids","CrystEngComm","2012","14","16","5242","","10.1039/c2ce25336d","","","0.71073","MoKα","","0.0493","0.034","","","0.0695","0.0812","","","","","","1.08","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208266","4.8289","0.0001","12.1776","0.0003","14.6529","0.0004","109.752","0.001","97.974","0.002","100.626","0.002","778","0.03","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H5 I O3 -","- C7 H5 I O3 -","- C28 H20 I4 O12 -","4","2","","Montis, Riccardo; Hursthouse, Michael B.","Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids","CrystEngComm","2012","14","16","5242","","10.1039/c2ce25336d","","","0.71073","MoKα","","0.0308","0.0259","","","0.0578","0.0602","","","","","","1.109","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208267","3.9784","0.0001","16.1049","0.0004","11.5198","0.0003","90","","90.261","0.002","90","","738.09","0.03","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","5-methoxysalicylic acid","5-methoxy-2-hydroxobenzoic acid","","- C8 H8 O4 -","- C8 H8 O4 -","- C32 H32 O16 -","4","1","","Montis, Riccardo; Hursthouse, Michael B.","Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids","CrystEngComm","2012","14","16","5242","","10.1039/c2ce25336d","","","0.71073","MoKα","","0.0405","0.0375","","","0.0985","0.1017","","","","","","1.051","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208268","7.281","0.0003","5.0146","0.0002","20.2789","0.0007","90","","95.498","0.002","90","","737","0.05","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","5-methyl-2-hydroxobenzoic acid","5-methyl-2-hydroxobenzoic acid","","- C8 H8 O3 -","- C8 H8 O3 -","- C32 H32 O12 -","4","1","","Montis, Riccardo; Hursthouse, Michael B.","Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids","CrystEngComm","2012","14","16","5242","","10.1039/c2ce25336d","","","0.71073","MoKα","","0.0672","0.0534","","","0.1203","0.1307","","","","","","1.094","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208269","5.1246","0.0005","8.7762","0.0008","9.2674","0.0009","62.252","0.006","75.292","0.006","82.654","0.007","356.76","0.06","120","2","120","2","","","","","","","","4","P -1","-P 1","2","5-nitrosalicylic acid monohydrate","5-nitro-2-hydroxobenzoic acid monohydrate","","- C7 H5 N O5 -","- C7 H5 N O5 -","- C14 H10 N2 O10 -","2","1","","Montis, Riccardo; Hursthouse, Michael B.","Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids","CrystEngComm","2012","14","16","5242","","10.1039/c2ce25336d","","","0.71073","MoKα","","0.0734","0.0474","","","0.1115","0.1278","","","","","","1.06","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208270","23.3708","0.001","3.7089","0.0001","16.5722","0.0007","90","","104.853","0.002","90","","1388.48","0.09","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5-chlorosalicylic acid","5-chloro-2-hydroxobenzoic acid","","- C7 H5 Cl O3 -","- C7 H5 Cl O3 -","- C56 H40 Cl8 O24 -","8","2","","Montis, Riccardo; Hursthouse, Michael B.","Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids","CrystEngComm","2012","14","16","5242","","10.1039/c2ce25336d","","","0.71073","MoKα","","0.0829","0.0489","","","0.1034","0.1206","","","","","","1.042","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208271","3.7289","0.0001","8.243","0.0004","13.0565","0.0007","80.768","0.002","87.719","0.003","83.755","0.003","393.67","0.03","120","2","120","2","","","","","","","","4","P -1","-P 1","2","5-chloro-2-hydroxobenzoic acid monohydrate","5-chloro-2-hydroxobenzoic acid monohydrate","","- C7 H7 Cl O4 -","- C7 H7 Cl O4 -","- C14 H14 Cl2 O8 -","2","1","","Montis, Riccardo; Hursthouse, Michael B.","Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids","CrystEngComm","2012","14","16","5242","","10.1039/c2ce25336d","","","0.71073","MoKα","","0.0342","0.0304","","","0.075","0.0776","","","","","","1.076","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208272","5.3146","0.0002","5.2118","0.0002","22.5378","0.001","90","","91.907","0.003","90","","623.92","0.04","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","6-fluorosalicylic acid","6-fluoro-2-hydroxobenzoic acid","","- C7 H5 F O3 -","- C7 H5 F O3 -","- C28 H20 F4 O12 -","4","1","","Montis, Riccardo; Hursthouse, Michael B.","Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids","CrystEngComm","2012","14","16","5242","","10.1039/c2ce25336d","","","0.71073","MoKα","","0.0581","0.0484","","","0.1213","0.1276","","","","","","1.087","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208273","6.6697","0.0002","9.3476","0.0004","12.2016","0.0005","90","","104.305","0.002","90","","737.13","0.05","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","6-methoxysalicylic acid","6-methoxy-2-hydroxobenzoic acid","","- C8 H8 O4 -","- C8 H8 O4 -","- C32 H32 O16 -","4","1","","Montis, Riccardo; Hursthouse, Michael B.","Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids","CrystEngComm","2012","14","16","5242","","10.1039/c2ce25336d","","","0.71073","MoKα","","0.0599","0.0514","","","0.1418","0.1491","","","","","","1.132","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208274","4.8894","0.0003","11.2411","0.0013","11.3347","0.0013","90","","91.919","0.007","90","","622.63","0.11","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","salicylic acid","2-hydroxobenzoic acid","","- C7 H6 O3 -","- C7 H6 O3 -","- C28 H24 O12 -","4","1","","Montis, Riccardo; Hursthouse, Michael B.","Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids","CrystEngComm","2012","14","16","5242","","10.1039/c2ce25336d","","","0.71073","MoKα","","0.1041","0.0656","","","0.108","0.1251","","","","","","1.105","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208275","6.1364","0.0011","9.5989","0.0017","11.437","0.002","70.149","0.002","86.359","0.003","82.98","0.003","628.72","0.19","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H8 F8 I4 -","- C22 H8 F8 I4 -","- C22 H8 F8 I4 -","1","0.5","","Shen, Qian Jin; Pang, Xue; Zhao, Xiao Ran; Gao, Hai Yue; Sun, Hao-Ling; Jin, Wei Jun","Phosphorescent cocrystals constructed by 1,4-diiodotetrafluorobenzene and polyaromatic hydrocarbons based on C‒I⋯π halogen bonding and other assisting weak interactions","CrystEngComm","2012","14","15","5027","","10.1039/c2ce25338k","","","0.71073","MoKα","","0.0444","0.038","","","0.0925","0.0981","","","","","","1.06","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208276","6.1901","0.0016","9.381","0.003","12.462","0.003","104.29","0.004","90.952","0.004","97.561","0.004","694.3","0.3","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H10 F8 I4 -","- C26 H10 F8 I4 -","- C26 H10 F8 I4 -","1","0.5","","Shen, Qian Jin; Pang, Xue; Zhao, Xiao Ran; Gao, Hai Yue; Sun, Hao-Ling; Jin, Wei Jun","Phosphorescent cocrystals constructed by 1,4-diiodotetrafluorobenzene and polyaromatic hydrocarbons based on C‒I⋯π halogen bonding and other assisting weak interactions","CrystEngComm","2012","14","15","5027","","10.1039/c2ce25338k","","","0.71073","MoKα","","0.0456","0.0364","","","0.0872","0.0934","","","","","","1.058","","","","has coordinates,has disorder","180413","2020-10-21","18:00:00",""
"7208277","6.1559","0.0005","12.1831","0.0011","18.1485","0.0015","90","","99.044","0.001","90","","1344.2","0.2","297","2","297","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C24 H10 F8 I4 -","- C24 H10 F8 I4 -","- C48 H20 F16 I8 -","2","0.5","","Shen, Qian Jin; Pang, Xue; Zhao, Xiao Ran; Gao, Hai Yue; Sun, Hao-Ling; Jin, Wei Jun","Phosphorescent cocrystals constructed by 1,4-diiodotetrafluorobenzene and polyaromatic hydrocarbons based on C‒I⋯π halogen bonding and other assisting weak interactions","CrystEngComm","2012","14","15","5027","","10.1039/c2ce25338k","","","0.71073","MoKα","","0.0524","0.0404","","","0.093","0.1","","","","","","1.035","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208278","12.935","0.005","14.708","0.005","15.359","0.005","90","","90","","90","","2922","1.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 N4 O12 Zn2 -","- C21 H21 N4 O12 Zn2 -","- C84 H84 N16 O48 Zn8 -","4","1","","Hao, Xiang-Rong; Wang, Xin-Long; Shao, Kui-Zhan; Yang, Guang-Sheng; Su, Zhong-Min; Yuan, Gang","Remarkable solvent-size effects in constructing novel porous 1,3,5-benzenetricarboxylate metal‒organic frameworks","CrystEngComm","2012","14","17","5596","","10.1039/c2ce25343g","","","0.71069","MoKα","","0.0468","0.0383","","","0.0995","0.1063","","","","","","0.931","","","","has coordinates,has disorder","180413","2020-10-21","18:00:00",""
"7208279","20.573","0.005","20.573","0.005","20.573","0.005","90","","90","","90","","8707","4","293","2","293","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C108 H135 N13 O57 Zn11 -","- C108 H36 O94 Zn22 -","- C108 H36 O94 Zn22 -","1","0.0208333","","Hao, Xiang-Rong; Wang, Xin-Long; Shao, Kui-Zhan; Yang, Guang-Sheng; Su, Zhong-Min; Yuan, Gang","Remarkable solvent-size effects in constructing novel porous 1,3,5-benzenetricarboxylate metal‒organic frameworks","CrystEngComm","2012","14","17","5596","","10.1039/c2ce25343g","","","0.71069","MoKα","","0.1762","0.1016","","","0.2972","0.3583","","","","","","1.091","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208280","20.6155","0.0007","20.6155","0.0007","20.6155","0.0007","90","","90","","90","","8761.6","0.5","293","2","293","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C110 H138 N12 O56 Zn11 -","- C108 H36 O94 Zn22 -","- C108 H36 O94 Zn22 -","1","0.0208333","","Hao, Xiang-Rong; Wang, Xin-Long; Shao, Kui-Zhan; Yang, Guang-Sheng; Su, Zhong-Min; Yuan, Gang","Remarkable solvent-size effects in constructing novel porous 1,3,5-benzenetricarboxylate metal‒organic frameworks","CrystEngComm","2012","14","17","5596","","10.1039/c2ce25343g","","","0.71073","MoKα","","0.1019","0.0764","","","0.2512","0.2702","","","","","","1.077","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208281","9.32","0.005","16.107","0.005","12.608","0.005","90","","100.942","0.005","90","","1858.3","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 N2 O7 Zn -","- C15 H11 N2 O7 Zn -","- C60 H44 N8 O28 Zn4 -","4","1","","Hao, Xiang-Rong; Wang, Xin-Long; Shao, Kui-Zhan; Yang, Guang-Sheng; Su, Zhong-Min; Yuan, Gang","Remarkable solvent-size effects in constructing novel porous 1,3,5-benzenetricarboxylate metal‒organic frameworks","CrystEngComm","2012","14","17","5596","","10.1039/c2ce25343g","","","0.71069","MoKα","","0.0874","0.0486","","","0.1101","0.1269","","","","","","0.973","","","","has coordinates,has disorder","180413","2020-10-21","18:00:00",""
"7208282","43.648","0.005","43.648","0.005","17.371","0.005","90","","90","","120","","28661","9","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C49 H69 N7 O22 Zn3 -","- C27 H9 O18 Zn3 -","- C486 H162 O324 Zn54 -","18","0.5","","Hao, Xiang-Rong; Wang, Xin-Long; Shao, Kui-Zhan; Yang, Guang-Sheng; Su, Zhong-Min; Yuan, Gang","Remarkable solvent-size effects in constructing novel porous 1,3,5-benzenetricarboxylate metal‒organic frameworks","CrystEngComm","2012","14","17","5596","","10.1039/c2ce25343g","","","0.71069","MoKα","","0.0933","0.0604","","","0.1923","0.2218","","","","","","1.064","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208283","23.461","0.005","23.461","0.005","23.461","0.005","90","","90","","90","","12913","5","293","2","293","2","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- C118 H189 N17 O53 Zn9 -","- C54 H18 N2 O41 Zn9 -","- C216 H72 N8 O164 Zn36 -","4","0.166667","","Hao, Xiang-Rong; Wang, Xin-Long; Shao, Kui-Zhan; Yang, Guang-Sheng; Su, Zhong-Min; Yuan, Gang","Remarkable solvent-size effects in constructing novel porous 1,3,5-benzenetricarboxylate metal‒organic frameworks","CrystEngComm","2012","14","17","5596","","10.1039/c2ce25343g","","","0.71069","MoKα","","0.0551","0.0398","","","0.0785","0.0817","","","","","","0.945","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208284","17.441","0.005","35.188","0.005","17.398","0.005","90","","90","","90","","10677","5","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C85 H107 N7 O42 Zn9 -","- C55 H39 N2 O38.3 Zn9 -","- C220 H156 N8 O153.2 Zn36 -","4","0.5","","Hao, Xiang-Rong; Wang, Xin-Long; Shao, Kui-Zhan; Yang, Guang-Sheng; Su, Zhong-Min; Yuan, Gang","Remarkable solvent-size effects in constructing novel porous 1,3,5-benzenetricarboxylate metal‒organic frameworks","CrystEngComm","2012","14","17","5596","","10.1039/c2ce25343g","","","0.71069","MoKα","","0.082","0.0541","","","0.1557","0.1672","","","","","","0.951","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208285","11.235","0.002","18.637","0.003","18.65","0.003","109.493","0.003","104.117","0.002","92.378","0.002","3537.7","1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H80 Hg3 I6 N8 -","- C66 H80 Hg3 I6 N8 -","- C132 H160 Hg6 I12 N16 -","2","1","","Liu, Qing-Xiang; Wang, Hong; Zhao, Xiao-Jun; Yao, Zhao-Quan; Wang, Zhi-Qiang; Chen, Ai-Hui; Wang, Xiu-Guang","N-Heterocyclic carbene silver(i), palladium(ii) and mercury(ii) complexes: synthesis, structural studies and catalytic activity","CrystEngComm","2012","14","16","5330","","10.1039/c2ce25365h","","","0.71073","MoKα","","0.0504","0.0421","","","0.1388","0.1761","","","","","","1.062","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7208286","15.963","0.0011","15.487","0.001","34.67","0.002","90","","99.601","0.001","90","","8451","0.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H38.5 Br4 Hg2 N7.5 -","- C40 H38.5 Br4 Hg2 N7.5 -","- C320 H308 Br32 Hg16 N60 -","8","1","","Liu, Qing-Xiang; Wang, Hong; Zhao, Xiao-Jun; Yao, Zhao-Quan; Wang, Zhi-Qiang; Chen, Ai-Hui; Wang, Xiu-Guang","N-Heterocyclic carbene silver(i), palladium(ii) and mercury(ii) complexes: synthesis, structural studies and catalytic activity","CrystEngComm","2012","14","16","5330","","10.1039/c2ce25365h","","","0.71073","MoKα","","0.0535","0.0361","","","0.0836","0.091","","","","","","1.024","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208287","9.7774","0.0006","11.1171","0.0007","15.9735","0.001","102.341","0.001","91.038","0.001","108.911","0.001","1597.4","0.17","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H34 Ag2 Cl2 N4 O2 -","- C34 H34 Ag2 Cl2 N4 O2 -","- C68 H68 Ag4 Cl4 N8 O4 -","2","1","","Liu, Qing-Xiang; Wang, Hong; Zhao, Xiao-Jun; Yao, Zhao-Quan; Wang, Zhi-Qiang; Chen, Ai-Hui; Wang, Xiu-Guang","N-Heterocyclic carbene silver(i), palladium(ii) and mercury(ii) complexes: synthesis, structural studies and catalytic activity","CrystEngComm","2012","14","16","5330","","10.1039/c2ce25365h","","","0.71073","MoKα","","0.0428","0.0371","","","0.0908","0.0953","","","","","","1.032","","","","has coordinates,has disorder","180413","2020-10-21","18:00:00",""
"7208288","18.8237","0.001","20.2191","0.001","12.437","0.0006","90","","103.507","0.001","90","","4602.6","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H50 Cl4 N6 O3 Pd2 -","- C42 H50 Cl4 N6 O3 Pd2 -","- C168 H200 Cl16 N24 O12 Pd8 -","4","1","","Liu, Qing-Xiang; Wang, Hong; Zhao, Xiao-Jun; Yao, Zhao-Quan; Wang, Zhi-Qiang; Chen, Ai-Hui; Wang, Xiu-Guang","N-Heterocyclic carbene silver(i), palladium(ii) and mercury(ii) complexes: synthesis, structural studies and catalytic activity","CrystEngComm","2012","14","16","5330","","10.1039/c2ce25365h","","","0.71073","MoKα","","0.0419","0.0312","","","0.0953","0.1035","","","","","","1.048","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208289","11.3332","0.0005","13.3581","0.0006","13.9474","0.0007","67.478","0.001","76.863","0.001","71.084","0.001","1832.23","0.15","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H42 Ag2 Cl2 N4 O2 -","- C38 H42 Ag2 Cl2 N4 O2 -","- C76 H84 Ag4 Cl4 N8 O4 -","2","1","","Liu, Qing-Xiang; Wang, Hong; Zhao, Xiao-Jun; Yao, Zhao-Quan; Wang, Zhi-Qiang; Chen, Ai-Hui; Wang, Xiu-Guang","N-Heterocyclic carbene silver(i), palladium(ii) and mercury(ii) complexes: synthesis, structural studies and catalytic activity","CrystEngComm","2012","14","16","5330","","10.1039/c2ce25365h","","","0.71073","MoKα","","0.0829","0.0674","","","0.1993","0.2152","","","","","","1.069","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208290","10.8829","0.0011","19.1733","0.0018","17.7442","0.0016","90","","103.147","0.002","90","","3605.5","0.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H40 Ag2 Cl2 N4 O2 -","- C37 H40 Ag2 Cl2 N4 O2 -","- C148 H160 Ag8 Cl8 N16 O8 -","4","1","","Liu, Qing-Xiang; Wang, Hong; Zhao, Xiao-Jun; Yao, Zhao-Quan; Wang, Zhi-Qiang; Chen, Ai-Hui; Wang, Xiu-Guang","N-Heterocyclic carbene silver(i), palladium(ii) and mercury(ii) complexes: synthesis, structural studies and catalytic activity","CrystEngComm","2012","14","16","5330","","10.1039/c2ce25365h","","","0.71073","MoKα","","0.0564","0.0357","","","0.0818","0.0945","","","","","","1.013","","","","has coordinates,has disorder","180413","2020-10-21","18:00:00",""
"7208291","10.9386","0.0005","21.6466","0.0011","16.7369","0.0007","90","","105.344","0.001","90","","3821.8","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C39 H44 Ag2 Cl2 N4 O2 -","- C39 H44 Ag2 Cl2 N4 O2 -","- C156 H176 Ag8 Cl8 N16 O8 -","4","0.5","","Liu, Qing-Xiang; Wang, Hong; Zhao, Xiao-Jun; Yao, Zhao-Quan; Wang, Zhi-Qiang; Chen, Ai-Hui; Wang, Xiu-Guang","N-Heterocyclic carbene silver(i), palladium(ii) and mercury(ii) complexes: synthesis, structural studies and catalytic activity","CrystEngComm","2012","14","16","5330","","10.1039/c2ce25365h","","","0.71073","MoKα","","0.0735","0.067","","","0.2216","0.2289","","","","","","1.042","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208292","10.411","0.005","15.209","0.0018","14.1301","0.0016","90","","109.71","0.03","90","","2106.3","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H4 Mn2 N10 Nb O6 -","- C12 H4 Mn2 N10 Nb O6 -","- C48 H16 Mn8 N40 Nb4 O24 -","4","1","","Pinkowicz, Dawid; Kurpiewska, Katarzyna; Lewiński, Krzysztof; Bałanda, Maria; Mihalik, Marian; Zentková, Maria; Sieklucka, Barbara","High-pressure single-crystal XRD and magnetic study of a octacyanoniobate-based magnetic sponge","CrystEngComm","2012","14","16","5224","","10.1039/c2ce25387a","","","0.71073","MoKα","","0.0864","0.07","","","0.1748","0.1926","","","","","","0.882","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208293","7.9395","0.0007","15.2318","0.0008","17.7558","0.0013","90","","93.632","0.006","90","","2142.9","0.3","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C12 H10 Cd N4 S2 -","- C12 H10 Cd N4 S2 -","- C72 H60 Cd6 N24 S12 -","6","0.75","","Wöhlert, Susanne; Boeckmann, Jan; Jess, Inke; Näther, Christian","Synthesis of new stable and metastable thiocyanato coordination polymers by thermal decomposition and by solution reactions","CrystEngComm","2012","14","17","5412","","10.1039/c2ce25389e","","","0.71073","MoKα","","0.0657","0.0466","","","0.0892","0.0959","","","","","","1.128","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208294","8.7915","0.0009","8.7921","0.0007","16.1275","0.0018","92.773","0.006","95.879","0.006","114.341","0.007","1124.1","0.2","293","","293","","","","","","","","","5","P -1","-P 1","2","catena-Poly(bis(thiocyanato-kN)bis(pyridine-kN)cadmium(ii))","catena-Poly[bis(thiocyanato-kN)bis(pyridine-kN)cadmium(II)]","","- C12 H10 Cd N4 S2 -","- C12 Cd N4 S2 -","- C36 Cd3 N12 S6 -","3","1.5","","Wöhlert, Susanne; Boeckmann, Jan; Jess, Inke; Näther, Christian","Synthesis of new stable and metastable thiocyanato coordination polymers by thermal decomposition and by solution reactions","CrystEngComm","2012","14","17","5412","","10.1039/c2ce25389e","powder diffraction","","1.54056","CuKα","","","","","","","","","2.7794","","","","","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208295","5.9496","0.0003","12.2417","0.0008","13.8473","0.0007","90","","102.234","0.004","90","","985.64","0.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H5 Cd N3 S2 -","- C7 H5 Cd N3 S2 -","- C28 H20 Cd4 N12 S8 -","4","1","","Wöhlert, Susanne; Boeckmann, Jan; Jess, Inke; Näther, Christian","Synthesis of new stable and metastable thiocyanato coordination polymers by thermal decomposition and by solution reactions","CrystEngComm","2012","14","17","5412","","10.1039/c2ce25389e","","","0.71073","MoKα","","0.0249","0.0218","","","0.0454","0.0465","","","","","","1.147","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208296","17.232","0.002","17.232","0.002","16.444","0.003","90","","90","","90","","4882.9","1.2","173","2","173","2","","","","","","","","5","I 4","I 4","79","","","","- C72 H84 Cd3 I6 N36 -","- C72 H80 Cd3 I6 N36 -","- C144 H160 Cd6 I12 N72 -","2","0.25","","Li, Huijun; Wang, Xia; Jia, Yanyuan; Zhao, Bei; Ding, Ran; Hou, Hongwei; Fan, Yaoting","Crystal to crystal transformation induced a novel Cu(ii)-MOF with zigzag ⋯I3−⋯I3−⋯ chains","CrystEngComm","2012","14","16","5155","","10.1039/c2ce25393c","","","0.71073","MoKα","","0.0894","0.084","","","0.22","0.2267","","","","","","1.05","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208297","12.365","0.004","17.032","0.005","24.275","0.008","89.682","0.007","89.479","0.005","88.829","0.007","5111","3","386","2","383","","","","","","","","","6","P -1","-P 1","2","","","","- C72 H96 Cu4 I6 N42 O24 -","- C72 H89 Cu4 I6 N42 O24 -","- C144 H178 Cu8 I12 N84 O48 -","2","1","","Li, Huijun; Wang, Xia; Jia, Yanyuan; Zhao, Bei; Ding, Ran; Hou, Hongwei; Fan, Yaoting","Crystal to crystal transformation induced a novel Cu(ii)-MOF with zigzag ⋯I3−⋯I3−⋯ chains","CrystEngComm","2012","14","16","5155","","10.1039/c2ce25393c","","","0.71073","MoKα","","0.0563","0.043","","","0.0936","0.1003","","","","","","0.986","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208298","29.688","0.004","15.4772","0.0018","25.663","0.003","90","","119.778","0.001","90","","10235","2","296","2","296","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C68 H101 Mo8 N16 Ni O50 P V6 -","- C68 H96 Mo8 N16 Ni O50 P V6 -","- C272 H384 Mo32 N64 Ni4 O200 P4 V24 -","4","0.5","","Fu, Jie; Sun, Haixia; Xu, Yan; Wang, Congling; Zhu, Dunru; Sun, Qi; Liu, Hongke","[Ni(C17H20N4)4][H5PMoVI8VIV4O40(VIVO)2]·8H2O: confinement of heteropoly anions in Ni-containing rigid concave surfaces with high catalytic activity in the oxidation of styrene","CrystEngComm","2012","14","16","5148","","10.1039/c2ce25419k","","","0.71073","MoKα","","0.0767","0.0474","","","0.1235","0.1346","","","","","","1.084","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208299","23.681","0.002","9.6928","0.0007","35.389","0.003","90","","92.789","0.001","90","","8113.4","1.1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H43 Cd N2 O10.5 -","- C38 H41 Cd N2 O10.5 -","- C304 H328 Cd8 N16 O84 -","8","1","","Ma, Chunhua; Wu, Yong; Zhang, Jun; Xu, Yan; Tu, Beibei; Zhou, Yaoming; Fang, Min; Liu, Hong-Ke","A 6-fold interpenetrated ThSi2 topological metal‒organic framework from a nanosized tripodal aromatic acid","CrystEngComm","2012","14","16","5166","","10.1039/c2ce25422k","","","0.71073","MoKα","","0.1083","0.0715","","","0.1895","0.2026","","","","","","1.238","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208300","12.606","0.003","12.606","0.003","19.668","0.004","90","0.015","90","0.018","120","0.019","2706.7","1.2","100","2","100","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C30 H42 N6 Na8 Ni2 O33 -","- C30 H12 N6 Na7.98 Ni2 O33.02 -","- C60 H24 N12 Na15.96 Ni4 O66.04 -","2","0.166667","","Dul, Marie-Claire; Lescouëzec, Rodrigue; Chamoreau, Lise-Marie; Journaux, Yves; Carrasco, Rosa; Castellano, María; Ruiz-García, Rafael; Cano, Joan; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina; Fabelo, Oscar; Pardo, Emilio","Self-assembly, metal binding ability, and magnetic properties of dinickel(ii) and dicobalt(ii) triple mesocates","CrystEngComm","2012","14","17","5639","","10.1039/c2ce25434d","","x-ray","0.71073","MoKα","","0.1043","0.0767","","","0.1925","0.214","","","","","","1.126","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208301","12.625","0.002","12.625","0.002","19.867","0.002","90","","90","","120","","2742.4","0.7","250","2","250","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C30 H46 Co2 N6 Na8 O35 -","- C30 H12 Co2 N6 Na7.98 O35.03 -","- C60 H24 Co4 N12 Na15.96 O70.06 -","2","0.166667","","Dul, Marie-Claire; Lescouëzec, Rodrigue; Chamoreau, Lise-Marie; Journaux, Yves; Carrasco, Rosa; Castellano, María; Ruiz-García, Rafael; Cano, Joan; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina; Fabelo, Oscar; Pardo, Emilio","Self-assembly, metal binding ability, and magnetic properties of dinickel(ii) and dicobalt(ii) triple mesocates","CrystEngComm","2012","14","17","5639","","10.1039/c2ce25434d","","","0.71073","MoKα","","0.1107","0.0809","","","0.239","0.2621","","","","","","1.134","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208302","19.3555","0.001","21.7874","0.0011","16.0415","0.0008","90","","92.452","0.001","90","","6758.6","0.6","125","2","125","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- B72 H181 Na32 Ni4 O314 V48 -","- B72 Na32 Ni4 O314 V48 -","- B72 Na32 Ni4 O314 V48 -","1","0.125","","Hermosilla-Ibáñez, Patricio; Car, Pierre Emmanuel; Vega, Andrés; Costamagna, Juan; Caruso, Francesco; Pivan, Jean-Yves; Fur, Eric Le; Spodine, Evgenia; Venegas-Yazigi, Diego","New structures based on the mixed valence polyoxometalate cluster [V12B18O60H6]n−","CrystEngComm","2012","14","17","5604","","10.1039/c2ce25436k","","","0.71069","MoKα","","0.0612","0.0587","","","0.1687","0.1708","","","","","","1.073","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208303","19.442","0.005","21.81","0.005","16.07","0.005","90","0.005","92.496","0.005","90","0.005","6808","3","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C4 H99 B36 N4 Na10 Ni2 O152 V24 -","- C4 B36 N4 Na10 Ni2 O152 V24 -","- C8 B72 N8 Na20 Ni4 O304 V48 -","2","0.25","","Hermosilla-Ibáñez, Patricio; Car, Pierre Emmanuel; Vega, Andrés; Costamagna, Juan; Caruso, Francesco; Pivan, Jean-Yves; Fur, Eric Le; Spodine, Evgenia; Venegas-Yazigi, Diego","New structures based on the mixed valence polyoxometalate cluster [V12B18O60H6]n−","CrystEngComm","2012","14","17","5604","","10.1039/c2ce25436k","","","0.71069","MoKα","","0.0975","0.0717","","","0.2114","0.2406","","","","","","1.09","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208304","19.348","0.004","21.786","0.004","16.051","0.003","90","","91.82","0.03","90","","6762","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- B36 H61 Na18 O144 V24 Zn -","- B36 Na18 O144 V24 Zn -","- B72 Na36 O288 V48 Zn2 -","2","0.25","","Hermosilla-Ibáñez, Patricio; Car, Pierre Emmanuel; Vega, Andrés; Costamagna, Juan; Caruso, Francesco; Pivan, Jean-Yves; Fur, Eric Le; Spodine, Evgenia; Venegas-Yazigi, Diego","New structures based on the mixed valence polyoxometalate cluster [V12B18O60H6]n−","CrystEngComm","2012","14","17","5604","","10.1039/c2ce25436k","","","0.71069","MoKα","","0.1333","0.0725","","","0.2139","0.2695","","","","","","1.066","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208305","23.605","0.005","13.445","0.005","24.054","0.005","90","0.005","99.623","0.005","90","0.005","7527","4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H79 B18 N16 O63 V12 Zn3 -","- C16 H64 B18 N16 O63 V12 Zn3 -","- C64 H256 B72 N64 O252 V48 Zn12 -","4","0.5","","Hermosilla-Ibáñez, Patricio; Car, Pierre Emmanuel; Vega, Andrés; Costamagna, Juan; Caruso, Francesco; Pivan, Jean-Yves; Fur, Eric Le; Spodine, Evgenia; Venegas-Yazigi, Diego","New structures based on the mixed valence polyoxometalate cluster [V12B18O60H6]n−","CrystEngComm","2012","14","17","5604","","10.1039/c2ce25436k","","","0.71069","MoKα","","0.1337","0.0593","","","0.149","0.1696","","","","","","1.065","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208306","13.8436","0.0005","6.4099","0.0002","20.5475","0.0008","90","","125.007","0.002","90","","1493.44","0.1","295","2","295","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- B K5 O34 P4 Ta8 -","- B K5 O34 P4 Ta8 -","- B2 K10 O68 P8 Ta16 -","2","0.5","","Babaryk, Artem A.; Odynets, Ievgen V.; Slobodyanik, Nikolay S.; Baumer, Vyacheslav N.; Khainakov, Sergei","Structure-driven mixed-site borate‒phosphate K5Ta8BP4O34: synthesis, structural, spectroscopic and theoretical study","CrystEngComm","2012","14","15","5071","","10.1039/c2ce25451d","","","0.71073","MoKα","","0.0413","0.0282","","","0.0626","0.0666","","","","","","1.079","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208307","7.143","0.003","14.458","0.006","29.544","0.013","90","","90","","90","","3051","2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H28 Cl2 N6 O3 Zn -","- C32 H28 Cl2 N6 O3 Zn -","- C128 H112 Cl8 N24 O12 Zn4 -","4","1","","Yang, Zaiwen; Huang, Xiaojuan; Zhao, Qilong; Li, Shaoguang; Wu, Biao","Hydrogen-bonded 1D nanotubes and 2D layers of group 12 metal complexes with a pyridylurea ligand","CrystEngComm","2012","14","17","5446","","10.1039/c2ce25453k","","","0.71073","MoKα","","0.0825","0.0517","","","0.1056","0.1174","","","","","","1.006","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208308","24.274","0.004","16.062","0.003","8.8413","0.0016","90","","90","","90","","3447.1","1.1","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C33.5 H30.5 Br2 N6 O2.75 Zn -","- C33.5 H30.5 Br2 N6 O2.75 Zn -","- C134 H122 Br8 N24 O11 Zn4 -","4","1","","Yang, Zaiwen; Huang, Xiaojuan; Zhao, Qilong; Li, Shaoguang; Wu, Biao","Hydrogen-bonded 1D nanotubes and 2D layers of group 12 metal complexes with a pyridylurea ligand","CrystEngComm","2012","14","17","5446","","10.1039/c2ce25453k","","","0.71073","MoKα","","0.0656","0.0398","","","0.0923","0.1023","","","","","","1.027","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208309","24.058","0.009","15.927","0.007","8.73","0.004","90","","90","","90","","3345","2","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C32 H27.6 Br2 N6 O2.8 Zn -","- C32 H27.6 Br2 N6 O2.8 Zn -","- C128 H110.4 Br8 N24 O11.2 Zn4 -","4","1","","Yang, Zaiwen; Huang, Xiaojuan; Zhao, Qilong; Li, Shaoguang; Wu, Biao","Hydrogen-bonded 1D nanotubes and 2D layers of group 12 metal complexes with a pyridylurea ligand","CrystEngComm","2012","14","17","5446","","10.1039/c2ce25453k","","","0.71073","MoKα","","0.1371","0.0616","","","0.136","0.1607","","","","","","1.081","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208310","25.815","0.002","8.8838","0.0008","28.137","0.003","90","","90","","90","","6452.8","1","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C32 H26 I2 N6 O2 Zn -","- C32 H26 I2 N6 O2 Zn -","- C256 H208 I16 N48 O16 Zn8 -","8","1","","Yang, Zaiwen; Huang, Xiaojuan; Zhao, Qilong; Li, Shaoguang; Wu, Biao","Hydrogen-bonded 1D nanotubes and 2D layers of group 12 metal complexes with a pyridylurea ligand","CrystEngComm","2012","14","17","5446","","10.1039/c2ce25453k","","","0.71073","MoKα","","0.1025","0.0449","","","0.0845","0.1046","","","","","","0.992","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208311","11.713","0.003","20.677","0.006","15.911","0.003","90","","125.323","0.014","90","","3144.1","1.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 Cl2 Hg N6 O2 -","- C32 H26 Cl2 Hg N6 O2 -","- C128 H104 Cl8 Hg4 N24 O8 -","4","1","","Yang, Zaiwen; Huang, Xiaojuan; Zhao, Qilong; Li, Shaoguang; Wu, Biao","Hydrogen-bonded 1D nanotubes and 2D layers of group 12 metal complexes with a pyridylurea ligand","CrystEngComm","2012","14","17","5446","","10.1039/c2ce25453k","","","0.71073","MoKα","","0.046","0.0309","","","0.0756","0.083","","","","","","1.037","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208312","11.86","0.003","20.465","0.005","15.636","0.003","90","","124.868","0.012","90","","3113.8","1.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 Br2 Hg N6 O2 -","- C32 H26 Br2 Hg N6 O2 -","- C128 H104 Br8 Hg4 N24 O8 -","4","1","","Yang, Zaiwen; Huang, Xiaojuan; Zhao, Qilong; Li, Shaoguang; Wu, Biao","Hydrogen-bonded 1D nanotubes and 2D layers of group 12 metal complexes with a pyridylurea ligand","CrystEngComm","2012","14","17","5446","","10.1039/c2ce25453k","","","0.71073","MoKα","","0.0505","0.0297","","","0.0573","0.0639","","","","","","1.018","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208313","7.6281","0.0008","28.162","0.003","9.1674","0.0009","90","","113.643","0.001","90","","1804.1","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 Hg I2 N3 O -","- C16 H13 Hg I2 N3 O -","- C64 H52 Hg4 I8 N12 O4 -","4","1","","Yang, Zaiwen; Huang, Xiaojuan; Zhao, Qilong; Li, Shaoguang; Wu, Biao","Hydrogen-bonded 1D nanotubes and 2D layers of group 12 metal complexes with a pyridylurea ligand","CrystEngComm","2012","14","17","5446","","10.1039/c2ce25453k","","","0.71073","MoKα","","0.0354","0.0309","","","0.0715","0.0735","","","","","","1.069","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208314","11.3563","0.0011","13.2471","0.0015","14.6072","0.0017","96.239","0.001","101.522","0.002","91.305","0.001","2138.2","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H21 Cd F N2 O6 -","- C21 H21 Cd F N2 O6 -","- C84 H84 Cd4 F4 N8 O24 -","4","2","","Cha, Yu-E; Li, Xia; Ma, Xue; Wan, Chong-Qing; Deng, Xue-Bin; Jin, Lin-Pei","Architectures of transition metal(ii) polymeric frameworks constructed from 3- fluorophthalic acid and 1,3-bis(4-pyridyl)propane: synthesis, crystal structures and properties","CrystEngComm","2012","14","16","5322","","10.1039/c2ce25464f","","","0.71073","MoKα","","0.0489","0.0298","","","0.0598","0.0702","","","","","","1.031","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208315","18.3303","0.0018","10.4149","0.0011","20.581","0.002","90","","97.284","0.001","90","","3897.4","0.7","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H36 Cu2 F2 N4 O9 -","- C42 H36 Cu2 F2 N4 O9 -","- C168 H144 Cu8 F8 N16 O36 -","4","0.5","","Cha, Yu-E; Li, Xia; Ma, Xue; Wan, Chong-Qing; Deng, Xue-Bin; Jin, Lin-Pei","Architectures of transition metal(ii) polymeric frameworks constructed from 3- fluorophthalic acid and 1,3-bis(4-pyridyl)propane: synthesis, crystal structures and properties","CrystEngComm","2012","14","16","5322","","10.1039/c2ce25464f","","","0.71073","MoKα","","0.0639","0.0391","","","0.0735","0.0788","","","","","","1.037","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208316","11.6891","0.0008","14.1824","0.0013","12.0379","0.0008","90","","92.574","0.006","90","","1993.6","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H38 Cu2 F2 N4 O10 -","- C42 H38 Cu2 F2 N4 O10 -","- C84 H76 Cu4 F4 N8 O20 -","2","1","","Cha, Yu-E; Li, Xia; Ma, Xue; Wan, Chong-Qing; Deng, Xue-Bin; Jin, Lin-Pei","Architectures of transition metal(ii) polymeric frameworks constructed from 3- fluorophthalic acid and 1,3-bis(4-pyridyl)propane: synthesis, crystal structures and properties","CrystEngComm","2012","14","16","5322","","10.1039/c2ce25464f","","","0.71073","MoKα","","0.1007","0.076","","","0.1962","0.2188","","","","","","1.046","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208317","11.6305","0.0017","14.158","0.002","12.0363","0.0017","90","","94.73","0.003","90","","1975.2","0.5","295","2","295","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H38 F2 N4 Ni2 O10 -","- C42 H38 F2 N4 Ni2 O10 -","- C84 H76 F4 N8 Ni4 O20 -","2","1","","Cha, Yu-E; Li, Xia; Ma, Xue; Wan, Chong-Qing; Deng, Xue-Bin; Jin, Lin-Pei","Architectures of transition metal(ii) polymeric frameworks constructed from 3- fluorophthalic acid and 1,3-bis(4-pyridyl)propane: synthesis, crystal structures and properties","CrystEngComm","2012","14","16","5322","","10.1039/c2ce25464f","","","0.71073","MoKα","","0.0527","0.0433","","","0.1072","0.1128","","","","","","1.038","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208318","11.553","0.0017","14.24","0.002","12.0157","0.0018","90","","95.639","0.003","90","","1967.2","0.5","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H38 Co2 F2 N4 O10 -","- C42 H38 Co2 F2 N4 O10 -","- C84 H76 Co4 F4 N8 O20 -","2","1","","Cha, Yu-E; Li, Xia; Ma, Xue; Wan, Chong-Qing; Deng, Xue-Bin; Jin, Lin-Pei","Architectures of transition metal(ii) polymeric frameworks constructed from 3- fluorophthalic acid and 1,3-bis(4-pyridyl)propane: synthesis, crystal structures and properties","CrystEngComm","2012","14","16","5322","","10.1039/c2ce25464f","","","0.71073","MoKα","","0.0829","0.0595","","","0.1036","0.115","","","","","","1.012","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208319","9.5127","0.0019","46.843","0.009","11.521","0.002","90","","113.441","0.003","90","","4710.1","1.5","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H22 N6 -","- C31 H22 N6 -","- C248 H176 N48 -","8","2","","Zhou, Fei-Xia; Zheng, Zheng; Zhou, Hong-Ping; Ke, Wei-Zai; Wang, Jian-Qing; Yu, Zhi-Peng; Jin, Feng; Yang, Jia-Xiang; Wu, Jie-Ying; Tian, Yu-Peng","A new 2,2′:6′,2′′-terpyridine-based ligand and its complexes: structures, photophysical properties and DFT calculations to evaluate the halogen effect on the TPA","CrystEngComm","2012","14","17","5613","","10.1039/c2ce25467k","","","0.71073","MoKα","","0.2022","0.0623","","","0.1377","0.2197","","","","","","0.915","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208320","14.682","0.005","26.74","0.005","17.568","0.005","90","0.005","112.864","0.005","90","0.005","6355","3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H22 I2 N6 Zn -","- C31 H22 I2 N6 Zn -","- C248 H176 I16 N48 Zn8 -","8","1","","Zhou, Fei-Xia; Zheng, Zheng; Zhou, Hong-Ping; Ke, Wei-Zai; Wang, Jian-Qing; Yu, Zhi-Peng; Jin, Feng; Yang, Jia-Xiang; Wu, Jie-Ying; Tian, Yu-Peng","A new 2,2′:6′,2′′-terpyridine-based ligand and its complexes: structures, photophysical properties and DFT calculations to evaluate the halogen effect on the TPA","CrystEngComm","2012","14","17","5613","","10.1039/c2ce25467k","","","0.71069","MoKα","","0.1475","0.0735","","","0.1942","0.2193","","","","","","1.02","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208321","16.459","0.0014","26.123","0.002","17.6798","0.0015","90","","115.536","0.001","90","","6859","1","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H22 Cl3 N8 S2 Zn -","- C34 H23 Cl3 N8 S2 Zn -","- C272 H184 Cl24 N64 S16 Zn8 -","8","2","","Zhou, Fei-Xia; Zheng, Zheng; Zhou, Hong-Ping; Ke, Wei-Zai; Wang, Jian-Qing; Yu, Zhi-Peng; Jin, Feng; Yang, Jia-Xiang; Wu, Jie-Ying; Tian, Yu-Peng","A new 2,2′:6′,2′′-terpyridine-based ligand and its complexes: structures, photophysical properties and DFT calculations to evaluate the halogen effect on the TPA","CrystEngComm","2012","14","17","5613","","10.1039/c2ce25467k","","","0.71073","MoKα","","0.221","0.1086","","","0.3013","0.3857","","","","","","1.127","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208322","18.938","0.005","10.356","0.005","29.755","0.005","90","0.005","101.461","0.005","90","0.005","5719","3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C63 H48 Cd Cl2 N12 O9 -","- C63 H48 Cd Cl2 N12 O9 -","- C252 H192 Cd4 Cl8 N48 O36 -","4","1","","Zhou, Fei-Xia; Zheng, Zheng; Zhou, Hong-Ping; Ke, Wei-Zai; Wang, Jian-Qing; Yu, Zhi-Peng; Jin, Feng; Yang, Jia-Xiang; Wu, Jie-Ying; Tian, Yu-Peng","A new 2,2′:6′,2′′-terpyridine-based ligand and its complexes: structures, photophysical properties and DFT calculations to evaluate the halogen effect on the TPA","CrystEngComm","2012","14","17","5613","","10.1039/c2ce25467k","","","0.71069","MoKα","","0.0606","0.0467","","","0.1235","0.1415","","","","","","1.083","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208323","15.643","0.005","51.938","0.005","16.613","0.005","90","0.005","115.008","0.005","90","0.005","12232","6","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31.5 H22.5 Br2 Cd Cl1.5 N6 -","- C31.5 H22.5 Br2 Cd Cl1.5 N6 -","- C504 H360 Br32 Cd16 Cl24 N96 -","16","4","","Zhou, Fei-Xia; Zheng, Zheng; Zhou, Hong-Ping; Ke, Wei-Zai; Wang, Jian-Qing; Yu, Zhi-Peng; Jin, Feng; Yang, Jia-Xiang; Wu, Jie-Ying; Tian, Yu-Peng","A new 2,2′:6′,2′′-terpyridine-based ligand and its complexes: structures, photophysical properties and DFT calculations to evaluate the halogen effect on the TPA","CrystEngComm","2012","14","17","5613","","10.1039/c2ce25467k","","","0.71069","MoKα","","0.1906","0.088","","","0.2143","0.2479","","","","","","1.248","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7208324","18.095","0.005","18.724","0.005","20.836","0.005","109.899","0.005","102.332","0.005","107.921","0.005","5903","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H51 Cl2 N12 O11.5 Zn -","- C62 H44 Cl2 N12 O11.5 Zn -","- C248 H176 Cl8 N48 O46 Zn4 -","4","2","","Zhou, Fei-Xia; Zheng, Zheng; Zhou, Hong-Ping; Ke, Wei-Zai; Wang, Jian-Qing; Yu, Zhi-Peng; Jin, Feng; Yang, Jia-Xiang; Wu, Jie-Ying; Tian, Yu-Peng","A new 2,2′:6′,2′′-terpyridine-based ligand and its complexes: structures, photophysical properties and DFT calculations to evaluate the halogen effect on the TPA","CrystEngComm","2012","14","17","5613","","10.1039/c2ce25467k","","","0.71073","MoKα","","0.1392","0.0821","","","0.2185","0.248","","","","","","1.458","","","","has coordinates","182221","2020-10-21","18:00:00",""
"7208325","16.3236","0.0003","26.861","0.0005","15.7429","0.0003","90","","115.566","0.001","90","","6226.9","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31.5 H23 Cd Cl I2 N6 -","- C31.5 H23 Cd Cl I2 N6 -","- C252 H184 Cd8 Cl8 I16 N48 -","8","2","","Zhou, Fei-Xia; Zheng, Zheng; Zhou, Hong-Ping; Ke, Wei-Zai; Wang, Jian-Qing; Yu, Zhi-Peng; Jin, Feng; Yang, Jia-Xiang; Wu, Jie-Ying; Tian, Yu-Peng","A new 2,2′:6′,2′′-terpyridine-based ligand and its complexes: structures, photophysical properties and DFT calculations to evaluate the halogen effect on the TPA","CrystEngComm","2012","14","17","5613","","10.1039/c2ce25467k","","","0.71073","MoKα","","0.081","0.0481","","","0.1408","0.1638","","","","","","1.032","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208326","16.0369","0.0006","24.0453","0.0009","25.0434","0.0009","90","","90.651","0.002","90","","9656.4","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","tetrakis(N-methylimidazole)copper(II) bistriflimide","tetrakis(N-methylimidazole)copper(II) bis(trifluoromethyl)sulfonylimide","","- C32 H48 Cu F12 N10 O8 S4 -","- C32 H48 Cu F12 N10 O8 S4 -","- C256 H384 Cu8 F96 N80 O64 S32 -","8","2","","Vander Hoogerstraete, Tom; Brooks, Neil R.; Norberg, Bernadette; Wouters, Johan; Van Hecke, Kristof; Van Meervelt, Luc; Binnemans, Koen","Crystal structures of low-melting ionic transition-metal complexes with N-alkylimidazole ligands","CrystEngComm","2012","14","15","4902","","10.1039/c2ce25470k","","","1.54178","CuKα","","0.0764","0.0577","","","0.1278","0.1365","","","","","","1.052","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208327","8.991","0.002","9.438","0.003","14.654","0.003","89.594","0.015","72.209","0.013","62.905","0.013","1041.2","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","tetrakis(N-methylimidazole)copper(II) bistriflimide","tetrakis(N-methylimidazole)copper(II) bis(trifluoromethyl)sulfonylimide","","- C24 H32 Cu F12 N10 O8 S4 -","- C24 H32 Cu F12 N10 O8 S4 -","- C24 H32 Cu F12 N10 O8 S4 -","1","0.5","","Vander Hoogerstraete, Tom; Brooks, Neil R.; Norberg, Bernadette; Wouters, Johan; Van Hecke, Kristof; Van Meervelt, Luc; Binnemans, Koen","Crystal structures of low-melting ionic transition-metal complexes with N-alkylimidazole ligands","CrystEngComm","2012","14","15","4902","","10.1039/c2ce25470k","","","1.54178","CuKα","","0.102","0.0823","","","0.1745","0.1841","","","","","","0.99","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208328","9.1104","0.0005","9.6323","0.0005","10.659","0.0007","68.139","0.004","85.255","0.005","87.828","0.004","865.11","0.09","100","2","100","2","","","","","","","","7","P -1","-P 1","2","tetrakis(N-methylimidazole)copper(II) bistriflimide","tetrakis(N-methylimidazole)copper(II) bis(trifluoromethyl)sulfonylimide","","- C20 H24 Cu F12 N10 O8 S4 -","- C20 H24 Cu F12 N10 O8 S4 -","- C20 H24 Cu F12 N10 O8 S4 -","1","0.5","","Vander Hoogerstraete, Tom; Brooks, Neil R.; Norberg, Bernadette; Wouters, Johan; Van Hecke, Kristof; Van Meervelt, Luc; Binnemans, Koen","Crystal structures of low-melting ionic transition-metal complexes with N-alkylimidazole ligands","CrystEngComm","2012","14","15","4902","","10.1039/c2ce25470k","","","1.54178","CuKα","","0.0659","0.057","","","0.1458","0.152","","","","","","1.055","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208329","8.2207","0.0002","20.3211","0.0004","27.0612","0.0005","90","","92.363","0.002","90","","4516.83","0.16","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","hexakis(N-methylimidazole)cobalt(II) bistriflimide","hexakis(N-methylimidazole)cobalt(II) bis(trifluoromethyl)sulfonylimide","","- C28 H36 Co F12 N14 O8 S4 -","- C28 H36 Co F12 N14 O8 S4 -","- C112 H144 Co4 F48 N56 O32 S16 -","4","1","","Vander Hoogerstraete, Tom; Brooks, Neil R.; Norberg, Bernadette; Wouters, Johan; Van Hecke, Kristof; Van Meervelt, Luc; Binnemans, Koen","Crystal structures of low-melting ionic transition-metal complexes with N-alkylimidazole ligands","CrystEngComm","2012","14","15","4902","","10.1039/c2ce25470k","","","0.71073","MoKα","","0.0415","0.0302","","","0.0771","0.0793","","","","","","1.066","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208330","8.2018","0.0002","20.3183","0.0005","26.938","0.0008","90","","92.341","0.003","90","","4485.4","0.2","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","hexakis(N-methylimidazole)nickel(II) bistriflimide","hexakis(N-methylimidazole)nickel(II) bis(trifluoromethyl)sulfonylimide","","- C28 H36 F12 N14 Ni O8 S4 -","- C28 H36 F12 N14 Ni O8 S4 -","- C112 H144 F48 N56 Ni4 O32 S16 -","4","1","","Vander Hoogerstraete, Tom; Brooks, Neil R.; Norberg, Bernadette; Wouters, Johan; Van Hecke, Kristof; Van Meervelt, Luc; Binnemans, Koen","Crystal structures of low-melting ionic transition-metal complexes with N-alkylimidazole ligands","CrystEngComm","2012","14","15","4902","","10.1039/c2ce25470k","","","0.71073","MoKα","","0.0593","0.0466","","","0.1187","0.1225","","","","","","1.037","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208331","8.2933","0.0003","11.1971","0.0003","24.1682","0.0007","91.145","0.001","93.419","0.001","92.945","0.002","2236.73","0.12","100","2","100","2","","","","","","","","7","P -1","-P 1","2","hexakis(N-methylimidazole)copper(II) bistriflimide","hexakis(N-methylimidazole)copper(II) bis(trifluoromethyl)sulfonylimide","","- C28 H36 Cu F12 N14 O8 S4 -","- C28 H36 Cu F12 N14 O8 S4 -","- C56 H72 Cu2 F24 N28 O16 S8 -","2","1","","Vander Hoogerstraete, Tom; Brooks, Neil R.; Norberg, Bernadette; Wouters, Johan; Van Hecke, Kristof; Van Meervelt, Luc; Binnemans, Koen","Crystal structures of low-melting ionic transition-metal complexes with N-alkylimidazole ligands","CrystEngComm","2012","14","15","4902","","10.1039/c2ce25470k","","","1.54178","CuKα","","0.0403","0.0368","","","0.0946","0.0972","","","","","","1.059","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208332","14.07","0.004","15.3","0.004","27.431","0.008","90","","90","","90","","5905","3","123","","123","","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C1.5 H6 As5 N S8 -","- C1.5 H6 As5 N S8 -","- C24 H96 As80 N16 S128 -","16","0.5","","Du, Ke-Zhao; Feng, Mei-Ling; Li, Jian-Rong; Huang, Xiao-Ying","pH-induced solvothermal synthesis and characterization of two novel thioarsenate compounds: Three-dimensional (1,2-pdaH2)0.5As5S8 containing ψ-As(iii)S4 and two-dimensional (NH4)2As8S13","CrystEngComm","2012","14","15","4959","","10.1039/c2ce25475a","","","0.71073","MoKα","","0.0227","0.0205","","","0.0491","0.0497","","","","","","1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208333","17.299","0.009","11.951","0.007","23.254","0.013","90","","90","","90","","4808","5","123","","123","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- As8 H8 N2 S13 -","- As8 H8 N2 S13 -","- As64 H64 N16 S104 -","8","1","","Du, Ke-Zhao; Feng, Mei-Ling; Li, Jian-Rong; Huang, Xiao-Ying","pH-induced solvothermal synthesis and characterization of two novel thioarsenate compounds: Three-dimensional (1,2-pdaH2)0.5As5S8 containing ψ-As(iii)S4 and two-dimensional (NH4)2As8S13","CrystEngComm","2012","14","15","4959","","10.1039/c2ce25475a","","","0.71073","MoKα","","0.0615","0.0533","","","0.1398","0.1475","","","","","","1.021","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208334","9.4829","0.0007","17.0177","0.0013","14.5741","0.0011","90","","101.881","0.001","90","","2301.5","0.3","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O P S -","- C29 H23 O P S -","- C116 H92 O4 P4 S4 -","4","1","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.71073","MoKα","","0.0425","0.036","","","0.094","0.0991","","","","","","1.044","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208335","9.39","0.0007","17.1409","0.0014","14.6595","0.0012","90","","102.038","0.002","90","","2307.6","0.3","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O P S -","- C29 H23 O P S -","- C116 H92 O4 P4 S4 -","4","1","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.71073","MoKα","","0.0548","0.0421","","","0.1043","0.1126","","","","","","1.013","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208336","9.3901","0.0001","17.1534","0.0001","14.8607","0.0002","90","","102.328","0.001","90","","2338.45","0.04","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H46 O2 P2 S2 -","- C58 H46 O2 P2 S2 -","- C116 H92 O4 P4 S4 -","2","0.5","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","1.5418","CuKα","","0.0468","0.0395","","","0.0981","0.1022","","","","","","1.024","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208337","11.9199","0.0002","14.3119","0.0004","13.7279","0.0004","90","","102.026","0.002","90","","2290.53","0.1","110","0.1","110","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H46 O2 P2 S2 -","- C58 H46 O2 P2 S2 -","- C116 H92 O4 P4 S4 -","2","0.5","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.7107","MoKα","","0.0629","0.0462","","","0.0991","0.1077","","","","","","1.04","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208338","9.517","","17.083","","14.581","","90","","101.96","","90","","2319.1","","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O P S -","- C29 H23 O P S -","- C116 H92 O4 P4 S4 -","4","1","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.71073","MoKα","","0.1106","0.0454","","","0.0831","0.0946","","","","","","0.857","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208339","9.3791","0.0002","17.2497","0.0003","14.7021","0.0004","90","","102.069","0.002","90","","2326.03","0.09","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O P S -","- C29 H23 O P S -","- C116 H92 O4 P4 S4 -","4","1","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.71073","MoKα","","0.1263","0.0534","","","0.1124","0.1262","","","","","","0.866","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208340","9.37","0.0002","17.2807","0.0003","14.7363","0.0003","90","","102.134","0.002","90","","2332.8","0.08","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O P S -","- C29 H23 O P S -","- C116 H92 O4 P4 S4 -","4","1","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.71073","MoKα","","0.123","0.0469","","","0.0949","0.1065","","","","","","0.84","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208341","9.3726","0.0002","17.2873","0.0003","14.7499","0.0003","90","","102.167","0.002","90","","2336.2","0.08","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O P S -","- C29 H23 O P S -","- C116 H92 O4 P4 S4 -","4","1","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.71073","MoKα","","0.1268","0.0472","","","0.0948","0.1073","","","","","","0.844","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208342","9.3734","0.0002","17.2887","0.0003","14.7596","0.0003","90","","102.19","0.002","90","","2337.92","0.08","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O P S -","- C29 H23 O P S -","- C116 H92 O4 P4 S4 -","4","1","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.71073","MoKα","","0.1276","0.048","","","0.0994","0.1124","","","","","","0.849","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208343","9.3741","0.0002","17.2885","0.0003","14.7653","0.0003","90","","102.202","0.002","90","","2338.87","0.08","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O P S -","- C29 H23 O P S -","- C116 H92 O4 P4 S4 -","4","1","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.71073","MoKα","","0.1293","0.049","","","0.0992","0.1133","","","","","","0.853","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208344","9.3749","0.0002","17.2881","0.0003","14.7691","0.0003","90","","102.22","0.002","90","","2339.45","0.08","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O P S -","- C29 H23 O P S -","- C116 H92 O4 P4 S4 -","4","1","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.71073","MoKα","","0.1308","0.0487","","","0.0954","0.1091","","","","","","0.833","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208345","9.3761","0.0002","17.2872","0.0002","14.7712","0.0003","90","","102.226","0.002","90","","2339.91","0.08","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O P S -","- C29 H23 O P S -","- C116 H92 O4 P4 S4 -","4","1","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.71073","MoKα","","0.1064","0.0518","","","0.1319","0.1439","","","","","","1.002","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208346","9.3781","0.0002","17.2875","0.0002","14.7775","0.0003","90","","102.232","0.002","90","","2341.4","0.08","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O P S -","- C29 H23 O P S -","- C116 H92 O4 P4 S4 -","4","1","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.71073","MoKα","","0.1301","0.0496","","","0.0996","0.1131","","","","","","0.852","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208347","9.4946","0.0002","17.0479","0.0004","14.5784","0.0004","90","","101.951","0.002","90","","2308.56","0.1","140","2","140","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O P S -","- C29 H23 O P S -","- C116 H92 O4 P4 S4 -","4","1","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.71073","MoKα","","0.0856","0.0508","","","0.099","0.1122","","","","","","1.012","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208348","9.4645","0.0002","17.0968","0.0004","14.5914","0.0004","90","","102.008","0.003","90","","2309.41","0.1","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O P S -","- C29 H23 O P S -","- C116 H92 O4 P4 S4 -","4","1","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.71073","MoKα","","0.074","0.0464","","","0.0895","0.1012","","","","","","1.023","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208349","9.4512","0.0002","17.1319","0.0004","14.6123","0.0005","90","","102.013","0.003","90","","2314.17","0.11","160","2","160","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O P S -","- C29.001 H23 O P S -","- C116.004 H92 O4 P4 S4 -","4","1","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.71073","MoKα","","0.0865","0.0506","","","0.0929","0.1076","","","","","","1.021","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208350","9.407","0.005","17.207","0.005","14.659","0.005","90","0.005","102.087","0.005","90","0.005","2320.2","1.6","170","2","170","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O P S -","- C29 H23 O P S -","- C116 H92 O4 P4 S4 -","4","1","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.71073","MoKα","","0.1331","0.0669","","","0.1265","0.1559","","","","","","1.063","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208351","9.3704","0.0014","17.241","0.003","14.693","0.002","90","","102.056","0.002","90","","2321.4","0.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O P S -","- C29 H23 O P S -","- C116 H92 O4 P4 S4 -","4","1","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.6889","synchrotron","","0.0948","0.0646","","","0.1536","0.1865","","","","","","1.098","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208352","9.3801","0.0002","17.258","0.0002","14.737","0.0003","90","","102.273","0.002","90","","2331.13","0.08","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O P S -","- C29 H23 O P S -","- C116 H92 O4 P4 S4 -","4","1","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.71073","MoKα","","0.1299","0.0496","","","0.103","0.1176","","","","","","0.835","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208353","9.406","0.005","17.312","0.005","14.818","0.005","90","0.005","102.305","0.005","90","0.005","2357.5","1.6","221","2","221","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O P S -","- C29 H23 O P S -","- C116 H92 O4 P4 S4 -","4","1","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.71073","MoKα","","0.1213","0.0558","","","0.1123","0.1293","","","","","","1.023","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208354","9.4598","0.001","16.9974","0.0014","14.5643","0.0013","90","","101.853","0.009","90","","2291.9","0.4","110","","110","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O P S -","- C29 H23 O P S -","- C116 H92 O4 P4 S4 -","4","1","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.7107","MoKα","","0.0465","0.0379","","","0.0826","0.0887","","","","","","1.046","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208355","9.4904","0.0003","17.0028","0.0005","14.5622","0.0004","90","","101.951","0.003","90","","2298.87","0.12","110","","110","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O P S -","- C29 H23 O P S -","- C116 H92 O4 P4 S4 -","4","1","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.7107","MoKα","","0.0461","0.0377","","","0.0836","0.089","","","","","","1.026","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208356","9.3365","0.0005","17.1396","0.0006","14.7354","0.0013","90","","102.311","0.008","90","","2303.8","0.3","110","","110","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O P S -","- C29 H23 O P S -","- C116 H92 O4 P4 S4 -","4","1","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.7107","MoKα","","0.085","0.0639","","","0.1349","0.1485","","","","","","1.11","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208357","9.3733","0.0003","17.2097","0.0005","14.8077","0.0005","90","","102.379","0.003","90","","2333.12","0.13","110","","110","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O P S -","- C29 H23 O P S -","- C116 H92 O4 P4 S4 -","4","1","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.7107","MoKα","","0.0857","0.064","","","0.1338","0.1463","","","","","","1.063","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208358","9.3833","0.0003","17.1058","0.0004","14.6168","0.0003","90","","102.04","0.003","90","","2294.52","0.11","110","","110","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O P S -","- C29 H23 O P S -","- C116 H92 O4 P4 S4 -","4","1","","Jarvis, A. G.; Sparkes, H. A.; Tallentire, S. E.; Hatcher, L. E.; Warren, M. R.; Raithby, P. R.; Allan, D. R.; Whitwood, A. C.; Cockett, M. C. R.; Duckett, S. B.; Clark, J. L.; Fairlamb, I. J. S.","Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba)","CrystEngComm","2012","14","17","5564","","10.1039/c2ce25480h","","","0.7107","MoKα","","0.0836","0.06","","","0.1346","0.1517","","","","","","1.034","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208359","14.3036","0.0007","21.7219","0.001","25.5475","0.0011","90","","90","","90","","7937.6","0.6","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C34.5 H31.7 F N5.25 Ni O6 S4 -","- C34.5 H30.875 F N5.25 Ni O6 S4 -","- C276 H247 F8 N42 Ni8 O48 S32 -","8","2","","Takahashi, Kiyonori; Hoshino, Norihisa; Kubo, Kazuya; Nakamura, Takayoshi; Akutagawa, Tomoyuki","Cation‒anion packing and molecular motion in (m-fluoroanilinium)(dibenzo[18]crown-6)[Ni(mnt)2]−(CH3CN)0.25 crystals","CrystEngComm","2012","14","16","5235","","10.1039/c2ce25493j","","","0.71075","MoKα","","","0.0423","","","","0.0727","","","","","","0.935","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208360","12.5467","0.0006","19.1791","0.001","5.7446","0.0002","90","","97.251","0.003","90","","1371.29","0.11","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 F3 I N2 O2 S -","- C12 H8 F3 I N2 O2 S -","- C48 H32 F12 I4 N8 O8 S4 -","4","1","","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","XPac dissimilarity parameters as quantitative descriptors of isostructurality: the case of fourteen 4,5′-substituted benzenesulfonamido-2-pyridines obtained by substituent interchange involving CF3/I/Br/Cl/F/Me/H","CrystEngComm","2012","14","17","5454","","10.1039/c2ce25508a","","","0.71073","MoKα","","0.0399","0.0284","","","0.0663","0.0698","","","","","","0.997","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208361","12.7165","0.0008","19.5032","0.0014","5.6759","0.0003","90","","99.204","0.004","90","","1389.57","0.15","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 I2 N2 O2 S -","- C11 H8 I2 N2 O2 S -","- C44 H32 I8 N8 O8 S4 -","4","1","","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","XPac dissimilarity parameters as quantitative descriptors of isostructurality: the case of fourteen 4,5′-substituted benzenesulfonamido-2-pyridines obtained by substituent interchange involving CF3/I/Br/Cl/F/Me/H","CrystEngComm","2012","14","17","5454","","10.1039/c2ce25508a","","","0.71073","MoKα","","0.1008","0.0469","","","0.0999","0.1133","","","","","","0.971","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208362","12.3761","0.0005","19.3231","0.0007","5.5652","0.0002","90","","98.824","0.001","90","","1315.14","0.09","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 Br I N2 O2 S -","- C11 H8 Br I N2 O2 S -","- C44 H32 Br4 I4 N8 O8 S4 -","4","1","","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","XPac dissimilarity parameters as quantitative descriptors of isostructurality: the case of fourteen 4,5′-substituted benzenesulfonamido-2-pyridines obtained by substituent interchange involving CF3/I/Br/Cl/F/Me/H","CrystEngComm","2012","14","17","5454","","10.1039/c2ce25508a","","","0.71073","MoKα","","0.0406","0.033","","","0.0779","0.081","","","","","","0.998","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208363","12.191","0.0005","19.2471","0.0007","5.5793","0.0002","90","","98.441","0.001","90","","1294.95","0.08","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 Cl I N2 O2 S -","- C11 H8 Cl I N2 O2 S -","- C44 H32 Cl4 I4 N8 O8 S4 -","4","1","","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","XPac dissimilarity parameters as quantitative descriptors of isostructurality: the case of fourteen 4,5′-substituted benzenesulfonamido-2-pyridines obtained by substituent interchange involving CF3/I/Br/Cl/F/Me/H","CrystEngComm","2012","14","17","5454","","10.1039/c2ce25508a","","","0.71073","MoKα","","0.0335","0.027","","","0.0581","0.0601","","","","","","1.083","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208364","11.21","0.0003","18.4797","0.0004","6.0146","0.0002","90","","97.104","0.002","90","","1236.4","0.06","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 F I N2 O2 S -","- C11 H8 F I N2 O2 S -","- C44 H32 F4 I4 N8 O8 S4 -","4","1","","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","XPac dissimilarity parameters as quantitative descriptors of isostructurality: the case of fourteen 4,5′-substituted benzenesulfonamido-2-pyridines obtained by substituent interchange involving CF3/I/Br/Cl/F/Me/H","CrystEngComm","2012","14","17","5454","","10.1039/c2ce25508a","","","0.71073","MoKα","","0.0271","0.024","","","0.0522","0.0537","","","","","","0.892","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208365","12.365","0.004","19.488","0.003","5.6711","0.0018","90","","99.63","0.03","90","","1347.3","0.7","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8.81 Br0.73 F2.19 I0.27 N2 O2 S -","- C12 H8.81 Br0.73 F2.19 I0.27 N2 O2 S -","- C48 H35.24 Br2.92 F8.76 I1.08 N8 O8 S4 -","4","1","","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","XPac dissimilarity parameters as quantitative descriptors of isostructurality: the case of fourteen 4,5′-substituted benzenesulfonamido-2-pyridines obtained by substituent interchange involving CF3/I/Br/Cl/F/Me/H","CrystEngComm","2012","14","17","5454","","10.1039/c2ce25508a","","","0.71073","MoKα","","0.1403","0.0824","","","0.1581","0.1797","","","","","","0.95","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208366","10.5231","0.0005","19.2374","0.0007","6.2008","0.0002","90","","94.353","0.001","90","","1251.65","0.09","248","2","248","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 I N2 O2 S -","- C11 H9 I N2 O2 S -","- C44 H36 I4 N8 O8 S4 -","4","1","","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","XPac dissimilarity parameters as quantitative descriptors of isostructurality: the case of fourteen 4,5′-substituted benzenesulfonamido-2-pyridines obtained by substituent interchange involving CF3/I/Br/Cl/F/Me/H","CrystEngComm","2012","14","17","5454","","10.1039/c2ce25508a","","","0.71073","MoKα","","0.0934","0.0791","","","0.1831","0.193","","","","","","0.992","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208367","12.4694","0.0006","19.4348","0.0009","5.7709","0.0001","90","","99.01","0.003","90","","1381.27","0.1","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 F6 N2 O2 S -","- C13 H8 F6 N2 O2 S -","- C52 H32 F24 N8 O8 S4 -","4","1","","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","XPac dissimilarity parameters as quantitative descriptors of isostructurality: the case of fourteen 4,5′-substituted benzenesulfonamido-2-pyridines obtained by substituent interchange involving CF3/I/Br/Cl/F/Me/H","CrystEngComm","2012","14","17","5454","","10.1039/c2ce25508a","","","0.71073","MoKα","","0.064","0.049","","","0.1254","0.1344","","","","","","0.972","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208368","12.7889","0.0004","19.4009","0.0008","5.727","0.0002","90","","100.65","0.002","90","","1396.48","0.09","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C11.96 H8 F2.88 I1.04 N2 O2 S -","- C11.96 H8 F2.88 I1.04 N2 O2 S -","- C47.84 H32 F11.52 I4.16 N8 O8 S4 -","4","1","","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","XPac dissimilarity parameters as quantitative descriptors of isostructurality: the case of fourteen 4,5′-substituted benzenesulfonamido-2-pyridines obtained by substituent interchange involving CF3/I/Br/Cl/F/Me/H","CrystEngComm","2012","14","17","5454","","10.1039/c2ce25508a","","","0.71073","MoKα","","0.0501","0.0337","","","0.0833","0.0898","","","","","","0.886","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208369","12.3877","0.0006","19.4324","0.0009","5.7076","0.0002","90","","100.458","0.002","90","","1351.13","0.1","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 Br F3 N2 O2 S -","- C12 H8 Br F3 N2 O2 S -","- C48 H32 Br4 F12 N8 O8 S4 -","4","1","","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","XPac dissimilarity parameters as quantitative descriptors of isostructurality: the case of fourteen 4,5′-substituted benzenesulfonamido-2-pyridines obtained by substituent interchange involving CF3/I/Br/Cl/F/Me/H","CrystEngComm","2012","14","17","5454","","10.1039/c2ce25508a","","","0.71073","MoKα","","0.0527","0.0351","","","0.0872","0.0936","","","","","","0.941","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208370","12.1508","0.0007","19.4666","0.0011","5.6756","0.0002","90","","99.863","0.003","90","","1322.64","0.12","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 Cl F3 N2 O2 S -","- C12 H8 Cl F3 N2 O2 S -","- C48 H32 Cl4 F12 N8 O8 S4 -","4","1","","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","XPac dissimilarity parameters as quantitative descriptors of isostructurality: the case of fourteen 4,5′-substituted benzenesulfonamido-2-pyridines obtained by substituent interchange involving CF3/I/Br/Cl/F/Me/H","CrystEngComm","2012","14","17","5454","","10.1039/c2ce25508a","","","0.71073","MoKα","","0.0541","0.0434","","","0.1139","0.1202","","","","","","1.003","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208371","11.1914","0.0009","19.087","0.0015","5.9552","0.0003","90","","97.357","0.005","90","","1261.62","0.16","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 F4 N2 O2 S -","- C12 H8 F4 N2 O2 S -","- C48 H32 F16 N8 O8 S4 -","4","1","","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","XPac dissimilarity parameters as quantitative descriptors of isostructurality: the case of fourteen 4,5′-substituted benzenesulfonamido-2-pyridines obtained by substituent interchange involving CF3/I/Br/Cl/F/Me/H","CrystEngComm","2012","14","17","5454","","10.1039/c2ce25508a","","","0.71073","MoKα","","0.0675","0.0506","","","0.1296","0.1381","","","","","","1.011","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208372","12.1514","0.0011","19.549","0.002","5.6316","0.0005","90","","99.286","0.006","90","","1320.2","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 F3 N2 O2 S -","- C13 H11 F3 N2 O2 S -","- C52 H44 F12 N8 O8 S4 -","4","1","","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","XPac dissimilarity parameters as quantitative descriptors of isostructurality: the case of fourteen 4,5′-substituted benzenesulfonamido-2-pyridines obtained by substituent interchange involving CF3/I/Br/Cl/F/Me/H","CrystEngComm","2012","14","17","5454","","10.1039/c2ce25508a","","","0.71073","MoKα","","0.075","0.0488","","","0.117","0.1292","","","","","","1.025","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208373","10.8792","0.0008","18.802","0.002","6.1463","0.0006","90","","95.248","0.007","90","","1252","0.2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 F3 N2 O2 S -","- C12 H9 F3 N2 O2 S -","- C48 H36 F12 N8 O8 S4 -","4","1","","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, Michael B.","XPac dissimilarity parameters as quantitative descriptors of isostructurality: the case of fourteen 4,5′-substituted benzenesulfonamido-2-pyridines obtained by substituent interchange involving CF3/I/Br/Cl/F/Me/H","CrystEngComm","2012","14","17","5454","","10.1039/c2ce25508a","","","0.71073","MoKα","","0.1013","0.0783","","","0.1639","0.1764","","","","","","0.916","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208374","27.9106","0.001","27.9106","0.001","9.8447","0.0007","90","","90","","90","","7669","0.7","298","2","298","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C22 H22 N2 O2 -","- C22 H22 N2 O2 -","- C352 H352 N32 O32 -","16","1","","Pang, Tao; Shang, Jie; Yang, Qin-Wan; Sun, Yu; Wu, An-Xin; Jiang, Hua","An unprecedented triple helix based on the tetrameric assembly of a macrocycle driven by weak C‒H⋯π and C‒H⋯O interactions","CrystEngComm","2012","14","16","5170","","10.1039/c2ce25549a","","","0.71073","MoKα","","0.1018","0.0938","","","0.2019","0.2055","","","","","","1.25","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208375","11.4965","0.0014","9.5446","0.0012","17.128","0.002","90","","95.203","0.002","90","","1871.7","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 N2 O2 -","- C22 H22 N2 O2 -","- C88 H88 N8 O8 -","4","1","","Pang, Tao; Shang, Jie; Yang, Qin-Wan; Sun, Yu; Wu, An-Xin; Jiang, Hua","An unprecedented triple helix based on the tetrameric assembly of a macrocycle driven by weak C‒H⋯π and C‒H⋯O interactions","CrystEngComm","2012","14","16","5170","","10.1039/c2ce25549a","","","0.71073","MoKα","","0.1099","0.0692","","","0.1543","0.1747","","","","","","0.975","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208376","7.83","0.002","10.912","0.003","12.498","0.004","106.544","0.003","96.596","0.003","99.562","0.003","994.4","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H15 Co2 N O12 -","- C17 H15 Co2 N O12 -","- C34 H30 Co4 N2 O24 -","2","1","","Liu, Guang-Zhen; Li, Xiao-Ling; Xin, Ling-Yun; Wang, Li-Ya","Two topologically new trinodal cobalt(ii) metal‒organic frameworks characterized as a 1D metallic oxide and a 2D →3D penetrated porous solid","CrystEngComm","2012","14","16","5315","","10.1039/c2ce25556a","","","0.71073","MoKα","","0.0575","0.0477","","","0.1324","0.1396","","","","","","1.06","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208377","13.5752","0.0016","10.2329","0.0012","31.409","0.004","90","","98.156","0.001","90","","4319","0.9","296","2","296","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C78 H64 Co3 N10 O20 -","- C78 H64 Co3 N10 O20 -","- C156 H128 Co6 N20 O40 -","2","0.5","","Liu, Guang-Zhen; Li, Xiao-Ling; Xin, Ling-Yun; Wang, Li-Ya","Two topologically new trinodal cobalt(ii) metal‒organic frameworks characterized as a 1D metallic oxide and a 2D →3D penetrated porous solid","CrystEngComm","2012","14","16","5315","","10.1039/c2ce25556a","","","0.71073","MoKα","","0.067","0.044","","","0.1086","0.1171","","","","","","1","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208378","7.475","0.006","13.365","0.01","13.784","0.01","98.9","0.04","102.77","0.03","105.84","0.05","1257.6","1.7","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H25 Cl N4 O9 -","- C24 H25 Cl N4 O9 -","- C48 H50 Cl2 N8 O18 -","2","1","","Dey, Sandeep Kumar; Datta, Barun Kumar; Das, Gopal","Binding discrepancy of fluoride in quaternary ammonium and alkali salts by a tris(amide) receptor in solid and solution states","CrystEngComm","2012","14","16","5305","","10.1039/c2ce25592h","","","0.71073","MoKα","","0.1069","0.0518","","","0.1101","0.124","","","","","","0.81","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208379","7.6818","0.0006","13.3835","0.0011","13.8995","0.0012","99.08","0.01","103.12","0.05","106.33","0.03","1297.5","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H25 Br N4 O9 -","- C24 H25 Br N4 O9 -","- C48 H50 Br2 N8 O18 -","2","1","","Dey, Sandeep Kumar; Datta, Barun Kumar; Das, Gopal","Binding discrepancy of fluoride in quaternary ammonium and alkali salts by a tris(amide) receptor in solid and solution states","CrystEngComm","2012","14","16","5305","","10.1039/c2ce25592h","","","0.71073","MoKα","","0.0515","0.0344","","","0.0854","0.0928","","","","","","1.026","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208380","15.2304","0.0007","8.9608","0.0004","20.056","0.001","90","","101.073","0.003","90","","2686.2","0.2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H25 N5 O12 -","- C24 H25 N5 O12 -","- C96 H100 N20 O48 -","4","1","","Dey, Sandeep Kumar; Datta, Barun Kumar; Das, Gopal","Binding discrepancy of fluoride in quaternary ammonium and alkali salts by a tris(amide) receptor in solid and solution states","CrystEngComm","2012","14","16","5305","","10.1039/c2ce25592h","","","0.71073","MoKα","","0.277","0.0611","","","0.0874","0.1162","","","","","","1.018","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208381","11.03","0.002","12.045","0.002","20.673","0.004","81.84","0.03","81.39","0.03","74.74","0.03","2604.7","0.9","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H45 N4 O20 Zn3 -","- C54 H45 N4 O20 Zn3 -","- C108 H90 N8 O40 Zn6 -","2","1","","Tan, Yi; Chen, Hengjun; Zhang, Jie; Liao, Shijun; Dai, Jingcao; Fu, Zhiyong","Synthesis of a 3D photochromic coordination polymer with an interpenetrating arrangement: crystal engineering for electron transfer between donor and acceptor units","CrystEngComm","2012","14","16","5137","","10.1039/c2ce25618e","","","0.71073","MoKα","","0.1046","0.0603","","","0.1617","0.1981","","","","","","1.053","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208382","11.236","0.005","8.459","0.003","15.532","0.006","90","","90.586","0.001","90","","1476.2","1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C3 H19 Ca N O13.5 P3 -","- C3 H16 Ca N O13.5 P3 -","- C12 H64 Ca4 N4 O54 P12 -","4","1","","Stavgianoudaki, Nikoleta; Papathanasiou, Konstantinos E.; Colodrero, Rosario M. P.; Choquesillo-Lazarte, Duane; Garcia-Ruiz, Juan M.; Cabeza, Aurelio; Aranda, Miguel A. G.; Demadis, Konstantinos D.","Crystal engineering in confined spaces. A novel method to grow crystalline metal phosphonates in alginate gel systems","CrystEngComm","2012","14","17","5385","","10.1039/c2ce25632k","","","0.6889","Synchrotron","","0.0739","0.0557","","","0.1354","0.1585","","","","","","1.101","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208383","6.943","0.005","7.581","0.006","9.662","0.006","92.734","0.005","106.176","0.01","112.524","0.014","444.3","0.6","125","2","125","2","","","","","","","","5","P -1","-P 1","2","","","","- C2 H10 Ca O9 P2 -","- C2 H6 Ca O9 P2 -","- C4 H12 Ca2 O18 P4 -","2","1","","Stavgianoudaki, Nikoleta; Papathanasiou, Konstantinos E.; Colodrero, Rosario M. P.; Choquesillo-Lazarte, Duane; Garcia-Ruiz, Juan M.; Cabeza, Aurelio; Aranda, Miguel A. G.; Demadis, Konstantinos D.","Crystal engineering in confined spaces. A novel method to grow crystalline metal phosphonates in alginate gel systems","CrystEngComm","2012","14","17","5385","","10.1039/c2ce25632k","","","0.71075","MoKα","","0.0833","0.0707","","","0.2432","0.2858","","","","","","1.287","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208384","5.334","0.0002","14.225","0.0003","13.092","0.0004","90","","92.121","0.0014","90","","992.69","0.05","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C5 H10 Ca N O8 P -","- C5 H10 Ca N O8 P -","- C20 H40 Ca4 N4 O32 P4 -","4","1","","Stavgianoudaki, Nikoleta; Papathanasiou, Konstantinos E.; Colodrero, Rosario M. P.; Choquesillo-Lazarte, Duane; Garcia-Ruiz, Juan M.; Cabeza, Aurelio; Aranda, Miguel A. G.; Demadis, Konstantinos D.","Crystal engineering in confined spaces. A novel method to grow crystalline metal phosphonates in alginate gel systems","CrystEngComm","2012","14","17","5385","","10.1039/c2ce25632k","","","0.71073","MoKα","","0.0418","0.0337","","","0.1247","0.1313","","","","","","1.045","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208385","7.098","0.002","26.678","0.008","12.591","0.003","90","","91.191","0.015","90","","2383.7","1.1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H30 Mg N2 O20 P2 -","- C10 H22 Mg N2 O20 P2 -","- C40 H88 Mg4 N8 O80 P8 -","4","1","","Stavgianoudaki, Nikoleta; Papathanasiou, Konstantinos E.; Colodrero, Rosario M. P.; Choquesillo-Lazarte, Duane; Garcia-Ruiz, Juan M.; Cabeza, Aurelio; Aranda, Miguel A. G.; Demadis, Konstantinos D.","Crystal engineering in confined spaces. A novel method to grow crystalline metal phosphonates in alginate gel systems","CrystEngComm","2012","14","17","5385","","10.1039/c2ce25632k","","","1.54178","CuKα","","0.1624","0.0814","","","0.1711","0.216","","","","","","1.039","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208386","17.445","0.004","13.883","0.003","24.348","0.005","90","","90","","90","","5897","2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","SU-71","","","- C10.62 H32.32 Ge7 N5.31 O17 -","- C10.62 H3 Ge7 N5.31 O17 -","- C84.96 H24 Ge56 N42.48 O136 -","8","1","","Inge, A. Ken; Sun, Junliang; Moraga, Francisca; Guo, Bing; Zou, Xiaodong","Three low-dimensional open-germanates based on the 44 net","CrystEngComm","2012","14","17","5465","","10.1039/c2ce25665g","","","0.9077","synchrotron","","0.0714","0.0679","","","0.1735","0.1763","","","","","","1.045","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208387","23.062","0.005","32.711","0.007","23.936","0.005","90","","96.77","0.03","90","","17931","7","100","2","100","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","SU-72","","","- C63.33 H273.22 Ge85 N38 O218 -","- C12 H36 Ge85 N12 O218 -","- C24 H72 Ge170 N24 O436 -","2","0.25","","Inge, A. Ken; Sun, Junliang; Moraga, Francisca; Guo, Bing; Zou, Xiaodong","Three low-dimensional open-germanates based on the 44 net","CrystEngComm","2012","14","17","5465","","10.1039/c2ce25665g","","","0.9077","","","0.2361","0.0995","","","0.239","0.2691","","","","","","1.073","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208388","54.371","0.011","8.86","0.0018","31.224","0.006","90","","90","","90","","15041","5","100","2","100","2","","","","","","","","5","P c c a","-P 2a 2ac","54","SU-73","","","- C46.56 H154.45 Ge35.26 N23.28 O88.56 -","- C46.56 H12.5 Ge35.26 N23.28 O88.56 -","- C186.24 H50 Ge141.04 N93.12 O354.24 -","4","0.5","","Inge, A. Ken; Sun, Junliang; Moraga, Francisca; Guo, Bing; Zou, Xiaodong","Three low-dimensional open-germanates based on the 44 net","CrystEngComm","2012","14","17","5465","","10.1039/c2ce25665g","","","0.9077","synchrotron","","0.0784","0.0535","","","0.136","0.1464","","","","","","1.005","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208389","41.616","0.008","15.67","0.003","15.67","0.003","90","","90","","90","","10219","3","296","2","296","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C48 H142 Cl2 Eu6 N30 O4 S14 Sb4 -","- C48 H138 Cl2 Eu6 N30 O4 S14 Sb4 -","- C192 H552 Cl8 Eu24 N120 O16 S56 Sb16 -","4","0.5","","Zhou, Jian; An, Litao; Hu, Feilong; Liu, Xing; Zhao, Rongqing; Lin, Jianwu","A series of new lanthanoid thioantimonates: a rare example of organic-decorated cationic lanthanoid thioantimonate chains based on asymmetric dinuclear lanthanide complexes","CrystEngComm","2012","14","17","5544","","10.1039/c2ce25680k","","","0.71073","MoKα","","0.0568","0.0402","","","0.08","0.0824","","","","","","0.897","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208390","26.089","0.005","13.499","0.003","13.337","0.003","90","","90","","90","","4697","1.7","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H36 Eu N8 S4 Sb -","- C12 H36 Eu N8 S4 Sb -","- C96 H288 Eu8 N64 S32 Sb8 -","8","1","","Zhou, Jian; An, Litao; Hu, Feilong; Liu, Xing; Zhao, Rongqing; Lin, Jianwu","A series of new lanthanoid thioantimonates: a rare example of organic-decorated cationic lanthanoid thioantimonate chains based on asymmetric dinuclear lanthanide complexes","CrystEngComm","2012","14","17","5544","","10.1039/c2ce25680k","","","0.71073","MoKα","","0.0242","0.0202","","","0.0416","0.0435","","","","","","1.088","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208391","13.44","0.003","13.324","0.003","26.002","0.005","90","","90","","90","","4656.3","1.7","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H36 Gd N8 S4 Sb -","- C12 H36 Gd N8 S4 Sb -","- C96 H288 Gd8 N64 S32 Sb8 -","8","1","","Zhou, Jian; An, Litao; Hu, Feilong; Liu, Xing; Zhao, Rongqing; Lin, Jianwu","A series of new lanthanoid thioantimonates: a rare example of organic-decorated cationic lanthanoid thioantimonate chains based on asymmetric dinuclear lanthanide complexes","CrystEngComm","2012","14","17","5544","","10.1039/c2ce25680k","","","0.71073","MoKα","","0.0387","0.0237","","","0.0456","0.05","","","","","","1.011","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208392","13.441","0.003","13.312","0.003","26.026","0.005","90","","90","","90","","4656.7","1.7","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H36 Er N8 S4 Sb -","- C12 H36 Er N8 S4 Sb -","- C96 H288 Er8 N64 S32 Sb8 -","8","1","","Zhou, Jian; An, Litao; Hu, Feilong; Liu, Xing; Zhao, Rongqing; Lin, Jianwu","A series of new lanthanoid thioantimonates: a rare example of organic-decorated cationic lanthanoid thioantimonate chains based on asymmetric dinuclear lanthanide complexes","CrystEngComm","2012","14","17","5544","","10.1039/c2ce25680k","","","0.71073","MoKα","","0.0495","0.0268","","","0.0526","0.06","","","","","","1.013","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208393","15.543","0.003","15.647","0.003","41.256","0.008","90","","90","","90","","10034","3","296","2","296","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C48 H142 Cl2 N30 O4 S14 Sb4 Y6 -","- C48 H138 Cl2 N30 O4 S14 Sb4 Y6 -","- C192 H552 Cl8 N120 O16 S56 Sb16 Y24 -","4","0.5","","Zhou, Jian; An, Litao; Hu, Feilong; Liu, Xing; Zhao, Rongqing; Lin, Jianwu","A series of new lanthanoid thioantimonates: a rare example of organic-decorated cationic lanthanoid thioantimonate chains based on asymmetric dinuclear lanthanide complexes","CrystEngComm","2012","14","17","5544","","10.1039/c2ce25680k","","","0.71073","MoKα","","0.0962","0.0511","","","0.0977","0.1121","","","","","","1.01","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208394","15.548","0.003","15.682","0.003","41.22","0.008","90","","90","","90","","10050","3","296","2","296","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C48 H142 Cl2 Er6 N30 O4 S14 Sb4 -","- C48 H138 Cl2 Er6 N30 O4 S14 Sb4 -","- C192 H552 Cl8 Er24 N120 O16 S56 Sb16 -","4","0.5","","Zhou, Jian; An, Litao; Hu, Feilong; Liu, Xing; Zhao, Rongqing; Lin, Jianwu","A series of new lanthanoid thioantimonates: a rare example of organic-decorated cationic lanthanoid thioantimonate chains based on asymmetric dinuclear lanthanide complexes","CrystEngComm","2012","14","17","5544","","10.1039/c2ce25680k","","","0.71073","MoKα","","0.0425","0.0365","","","0.0774","0.08","","","","","","1.191","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208395","14.281","0.003","15.686","0.003","16.025","0.003","90","","104.33","0.03","90","","3478.1","1.3","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C16 H48.5 Cl Gd2 N10 O2.25 S4 Sb -","- C16 H48 Cl Gd2 N10 O2.25 S4 Sb -","- C64 H192 Cl4 Gd8 N40 O9 S16 Sb4 -","4","1","","Zhou, Jian; An, Litao; Hu, Feilong; Liu, Xing; Zhao, Rongqing; Lin, Jianwu","A series of new lanthanoid thioantimonates: a rare example of organic-decorated cationic lanthanoid thioantimonate chains based on asymmetric dinuclear lanthanide complexes","CrystEngComm","2012","14","17","5544","","10.1039/c2ce25680k","","","0.71073","MoKα","","0.0221","0.0188","","","0.0423","0.0436","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208396","13.4409","0.0008","15.3904","0.0008","19.3895","0.001","90","","91.252","0.003","90","","4010","0.4","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Ag2 N10 O6 -","- C16 H16 Ag2 N10 O6 -","- C128 H128 Ag16 N80 O48 -","8","2","","Gulbransen, Jayne L.; Fitchett, Christopher M.","Anion directed control of supramolecular structure in silver complexes through weak interactions","CrystEngComm","2012","14","17","5394","","10.1039/c2ce25733e","","","0.71073","MoKα","","0.0533","0.0308","","","0.061","0.0692","","","","","","1.038","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208397","11.8432","0.0004","12.4409","0.0004","15.8426","0.0004","90","","109.147","0.001","90","","2205.12","0.12","296","2","296.15","","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C34 H35 Ag3 Cl3 N17 O12 -","- C34 H35 Ag3 Cl3 N17 O12 -","- C68 H70 Ag6 Cl6 N34 O24 -","2","1","","Gulbransen, Jayne L.; Fitchett, Christopher M.","Anion directed control of supramolecular structure in silver complexes through weak interactions","CrystEngComm","2012","14","17","5394","","10.1039/c2ce25733e","","","0.71073","MoKα","","0.0221","0.0204","","","0.0477","0.0485","","","","","","1.033","","","","has coordinates,has disorder","180414","2020-10-21","18:00:00",""
"7208398","21.9927","0.0005","12.7858","0.0003","11.2203","0.0003","90","","90","","90","","3155.08","0.13","296","2","296.15","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C12 H12 Ag F6 N6 P -","- C12 H12 Ag F6 N6 P -","- C96 H96 Ag8 F48 N48 P8 -","8","1","","Gulbransen, Jayne L.; Fitchett, Christopher M.","Anion directed control of supramolecular structure in silver complexes through weak interactions","CrystEngComm","2012","14","17","5394","","10.1039/c2ce25733e","","","0.71073","MoKα","","0.027","0.0203","","","0.0483","0.0516","","","","","","1.042","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208399","15.1751","0.0003","15.1751","0.0003","22.5604","0.0008","90","","90","","90","","5195.3","0.2","100","2","100","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C36 H36 N6 O14 Zn3 -","- C26 H14 N4 O12 Zn3 -","- C104 H56 N16 O48 Zn12 -","4","0.5","","Shen, Lingjuan; Gray, Danielle; Masel, Richard I.; Girolami, Gregory S.","Synthesis and characterization of a zinc metal‒organic framework with chiral nano-pores","CrystEngComm","2012","14","16","5145","","10.1039/c2ce25780g","","","1.54178","CuKα","","0.0427","0.0422","","","0.1174","0.1178","","","","","","1.099","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7208400","19.5999","0.0018","28.716","0.003","19.817","0.0018","90","","112.339","0.0012","90","","10316.6","1.7","97","","97","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C144 H96 N12 O24 Rh6 -","- C144 H86 N12 O24 Rh6 -","- C288 H172 N24 O48 Rh12 -","2","0.25","","Nozaki, Tomonori; Kosaka, Wataru; Miyasaka, Hitoshi","Honeycomb frameworks with a very large mesh of 39 ×29 Å diameters stabilized by π-stacked coronene molecules","CrystEngComm","2012","14","17","5398","","10.1039/c2ce25806d","","","0.71075","MoKα","","","0.0559","","","","0.1731","","","","","","1.076","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208401","19.709","0.003","28.892","0.004","20.386","0.003","90","","113.556","0.002","90","","10641","3","97","","97","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C144 H84 F12 N12 O24 Rh6 -","- C144 H78 F12 N12 O24 Rh6 -","- C288 H156 F24 N24 O48 Rh12 -","2","0.25","","Nozaki, Tomonori; Kosaka, Wataru; Miyasaka, Hitoshi","Honeycomb frameworks with a very large mesh of 39 ×29 Å diameters stabilized by π-stacked coronene molecules","CrystEngComm","2012","14","17","5398","","10.1039/c2ce25806d","","","0.71075","MoKα","","","0.0728","","","","0.217","","","","","","0.959","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208402","19.686","0.003","28.643","0.004","19.816","0.003","90","","112.198","0.003","90","","10345","3","97","","97","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C144 H96 N12 O24 Ru6 -","- C144 H96 N12 O24 Ru6 -","- C288 H192 N24 O48 Ru12 -","2","0.25","","Nozaki, Tomonori; Kosaka, Wataru; Miyasaka, Hitoshi","Honeycomb frameworks with a very large mesh of 39 ×29 Å diameters stabilized by π-stacked coronene molecules","CrystEngComm","2012","14","17","5398","","10.1039/c2ce25806d","","","0.71075","MoKα","","","0.0593","","","","0.1501","","","","","","0.872","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208403","19.738","0.003","28.91","0.004","19.689","0.003","90","","112.663","0.003","90","","10368","3","97","","97","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C144 H84 F12 N12 O24 Ru6 -","- C144 H70 F12 N12 O24 Ru6 -","- C288 H140 F24 N24 O48 Ru12 -","2","0.25","","Nozaki, Tomonori; Kosaka, Wataru; Miyasaka, Hitoshi","Honeycomb frameworks with a very large mesh of 39 ×29 Å diameters stabilized by π-stacked coronene molecules","CrystEngComm","2012","14","17","5398","","10.1039/c2ce25806d","","","0.71075","MoKα","","","0.0716","","","","0.2226","","","","","","1.079","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208404","19.732","0.003","28.95","0.003","20.193","0.003","90","","113.269","0.002","90","","10597","3","97","","97","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C144 H84 F12 N12 O24 Ru6 -","- C144 H78 F12 N12 O24 Ru6 -","- C288 H156 F24 N24 O48 Ru12 -","2","0.25","","Nozaki, Tomonori; Kosaka, Wataru; Miyasaka, Hitoshi","Honeycomb frameworks with a very large mesh of 39 ×29 Å diameters stabilized by π-stacked coronene molecules","CrystEngComm","2012","14","17","5398","","10.1039/c2ce25806d","","","0.71075","MoKα","","","0.0647","","","","0.1985","","","","","","1.063","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208405","8.922","0.004","13.157","0.006","13.644","0.006","90","","92.214","0.008","90","","1600.4","1.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H40 Mo2 N4 O17 -","- C22 H40 Mo2 N4 O17 -","- C44 H80 Mo4 N8 O34 -","2","1","","Li, Fengcai; Xu, Li","Countercation-directed chiral resolution of [Mo2O4(H2dtpa)]−, syntheses, crystal structures and CD spectra of (λ)-[NEt4][Mo2O4(H2dtpa)] and (δ)-Na[Mo2O4(H2dtpa)]","CrystEngComm","2012","14","16","5174","","10.1039/c2ce25874a","","","0.71073","MoKα","","0.0307","0.0301","","","0.0804","0.0812","","","","","","1.07","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208406","7.529","0.003","7.752","0.003","10.903","0.003","71.991","0.012","76.257","0.015","83.426","0.014","587.3","0.4","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C14 H26 Mo2 N3 Na O17 -","- C14 H26 Mo2 N3 Na O17 -","- C14 H26 Mo2 N3 Na O17 -","1","1","","Li, Fengcai; Xu, Li","Countercation-directed chiral resolution of [Mo2O4(H2dtpa)]−, syntheses, crystal structures and CD spectra of (λ)-[NEt4][Mo2O4(H2dtpa)] and (δ)-Na[Mo2O4(H2dtpa)]","CrystEngComm","2012","14","16","5174","","10.1039/c2ce25874a","","","0.71073","MoKα","","0.0223","0.0206","","","0.0504","0.072","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208434","16.011","0.003","5.987","0.0012","19.649","0.004","90","","111.46","0.03","90","","1752.9","0.7","294","2","294","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C12 H9 I3 N4 S -","- C12 H9 I3 N4 S -","- C48 H36 I12 N16 S4 -","4","1","","Aragoni, M. Carla; Arca, Massimiliano; Caltagirone, Claudia; Castellano, Carlo; Demartin, Francesco; Garau, Alessandra; Isaia, Francesco; Lippolis, Vito; Montis, Riccardo; Pintus, Anna","Cationic and anionic 1D chains based on NH+⋯N charge-assisted hydrogen bonds in bipyridyl derivatives and polyiodides","CrystEngComm","2012","14","18","5809","","10.1039/c2ce25212k","","","0.71073","MoKα","","0.0585","0.0329","","","0.07","0.0787","","","","","","1.049","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208435","15.91","0.001","8.392","0.001","16.09","0.001","90","","101.14","0.01","90","","2107.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H9 I5 N4 S -","- C12 H9 I5 N4.002 S1.018 -","- C48 H36 I20 N16.008 S4.072 -","4","1","","Aragoni, M. Carla; Arca, Massimiliano; Caltagirone, Claudia; Castellano, Carlo; Demartin, Francesco; Garau, Alessandra; Isaia, Francesco; Lippolis, Vito; Montis, Riccardo; Pintus, Anna","Cationic and anionic 1D chains based on NH+⋯N charge-assisted hydrogen bonds in bipyridyl derivatives and polyiodides","CrystEngComm","2012","14","18","5809","","10.1039/c2ce25212k","","","0.71073","MoKα","","0.0677","0.0281","","","0.0532","0.0549","","","","","","0.624","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208436","11.773","0.002","8.06","0.001","18.058","0.003","90","","108.44","0.01","90","","1625.5","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H9 Br2 I N4 S -","- C12 H9 Br2 I N3.998 S0.986 -","- C48 H36 Br8 I4 N15.992 S3.944 -","4","1","","Aragoni, M. Carla; Arca, Massimiliano; Caltagirone, Claudia; Castellano, Carlo; Demartin, Francesco; Garau, Alessandra; Isaia, Francesco; Lippolis, Vito; Montis, Riccardo; Pintus, Anna","Cationic and anionic 1D chains based on NH+⋯N charge-assisted hydrogen bonds in bipyridyl derivatives and polyiodides","CrystEngComm","2012","14","18","5809","","10.1039/c2ce25212k","","","0.71073","MoKα","","0.0416","0.0285","","","0.063","0.064","","","","","","0.841","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208437","10.905","0.004","11.753","0.01","16.185","0.006","75.08","0.04","72.27","0.03","80.78","0.05","1902","2","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H28 I6 N8 O S2 -","- C28 H16 I6 N7.999 O S1.9974 -","- C56 H32 I12 N15.998 O2 S3.9948 -","2","1","","Aragoni, M. Carla; Arca, Massimiliano; Caltagirone, Claudia; Castellano, Carlo; Demartin, Francesco; Garau, Alessandra; Isaia, Francesco; Lippolis, Vito; Montis, Riccardo; Pintus, Anna","Cationic and anionic 1D chains based on NH+⋯N charge-assisted hydrogen bonds in bipyridyl derivatives and polyiodides","CrystEngComm","2012","14","18","5809","","10.1039/c2ce25212k","","","0.71073","MoKα","","0.1253","0.062","","","0.175","0.2001","","","","","","1.073","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208438","13.306","0.0009","24.8569","0.0018","14.2466","0.001","90","","93.29","0.01","90","","4704.2","0.6","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 Br2 I N4 S -","- C12 H9 Br2 I N4.00067 S0.973333 -","- C144 H108 Br24 I12 N48.008 S11.68 -","12","3","","Aragoni, M. Carla; Arca, Massimiliano; Caltagirone, Claudia; Castellano, Carlo; Demartin, Francesco; Garau, Alessandra; Isaia, Francesco; Lippolis, Vito; Montis, Riccardo; Pintus, Anna","Cationic and anionic 1D chains based on NH+⋯N charge-assisted hydrogen bonds in bipyridyl derivatives and polyiodides","CrystEngComm","2012","14","18","5809","","10.1039/c2ce25212k","","","0.71073","MoKα","","0.0886","0.0507","","","0.1622","0.171","","","","","","1.054","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208439","10.406","0.003","17.329","0.004","10.443","0.005","90","","99.05","0.03","90","","1859.7","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 I4 N4 S -","- C12 H8 I4 N4.02 S0.982 -","- C48 H32 I16 N16.08 S3.928 -","4","0.5","","Aragoni, M. Carla; Arca, Massimiliano; Caltagirone, Claudia; Castellano, Carlo; Demartin, Francesco; Garau, Alessandra; Isaia, Francesco; Lippolis, Vito; Montis, Riccardo; Pintus, Anna","Cationic and anionic 1D chains based on NH+⋯N charge-assisted hydrogen bonds in bipyridyl derivatives and polyiodides","CrystEngComm","2012","14","18","5809","","10.1039/c2ce25212k","","","0.71073","MoKα","","0.088","0.0294","","","0.0531","0.0617","","","","","","1.026","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208440","5.66513","0.00016","9.0127","0.0004","9.7723","0.0005","109.318","0.004","102.263","0.003","100.163","0.003","443.35","0.04","295","2","295","2","","","","","","","","5","P -1","-P 1","2","DL-cysteinium semioxalate","","","- C5 H9 N O6 S -","- C5 H9 N O6 S -","- C10 H18 N2 O12 S2 -","2","1","","Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik","Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains","CrystEngComm","2012","14","18","5943","","10.1039/c2ce25241d","","x-ray","0.71073","MoKα","","0.0405","0.0351","","","0.0939","0.0973","","","","","","1.067","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208441","5.66521","0.00018","8.9987","0.0004","9.7696","0.0005","109.516","0.004","102.251","0.003","100.096","0.003","442.06","0.04","275","2","275","2","","","","","","","","5","P -1","-P 1","2","DL-cysteinium semioxalate","","","- C5 H9 N O6 S -","- C5 H9 N O6 S -","- C10 H18 N2 O12 S2 -","2","1","","Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik","Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains","CrystEngComm","2012","14","18","5943","","10.1039/c2ce25241d","","x-ray","0.71073","MoKα","","0.0412","0.0356","","","0.0976","0.1016","","","","","","1.064","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208442","5.66264","0.00017","8.9788","0.0004","9.7642","0.0004","109.682","0.004","102.236","0.003","100.002","0.003","440.33","0.03","250","2","250","2","","","","","","","","5","P -1","-P 1","2","DL-cysteinium semioxalate","","","- C5 H9 N O6 S -","- C5 H9 N O6 S -","- C10 H18 N2 O12 S2 -","2","1","","Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik","Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains","CrystEngComm","2012","14","18","5943","","10.1039/c2ce25241d","","x-ray","0.71073","MoKα","","0.0384","0.0332","","","0.0878","0.0911","","","","","","1.044","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208443","5.66107","0.00017","8.9574","0.0005","9.7578","0.0005","109.831","0.005","102.228","0.004","99.913","0.003","438.59","0.04","225","2","225","2","","","","","","","","5","P -1","-P 1","2","DL-cysteinium semioxalate","","","- C5 H9 N O6 S -","- C5 H9 N O6 S -","- C10 H18 N2 O12 S2 -","2","1","","Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik","Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains","CrystEngComm","2012","14","18","5943","","10.1039/c2ce25241d","","x-ray","0.71073","MoKα","","0.0417","0.0355","","","0.0913","0.0956","","","","","","1.038","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208444","5.66062","0.00016","8.9394","0.0004","9.7525","0.0005","109.967","0.004","102.224","0.003","99.833","0.003","437.16","0.04","200","2","200","2","","","","","","","","5","P -1","-P 1","2","DL-cysteinium semioxalate","","","- C5 H9 N O6 S -","- C5 H9 N O6 S -","- C10 H18 N2 O12 S2 -","2","1","","Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik","Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains","CrystEngComm","2012","14","18","5943","","10.1039/c2ce25241d","","x-ray","0.71073","MoKα","","0.0357","0.0315","","","0.0859","0.0884","","","","","","1.057","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208445","5.65949","0.00016","8.9271","0.0004","9.7495","0.0004","110.093","0.004","102.22","0.003","99.769","0.003","436.06","0.03","175","2","175","2","","","","","","","","5","P -1","-P 1","2","DL-cysteinium semioxalate","","","- C5 H9 N O6 S -","- C5 H9 N O6 S -","- C10 H18 N2 O12 S2 -","2","1","","Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik","Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains","CrystEngComm","2012","14","18","5943","","10.1039/c2ce25241d","","x-ray","0.71073","MoKα","","0.037","0.0323","","","0.0842","0.0871","","","","","","1.044","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208446","5.65706","0.00014","8.9064","0.0004","9.7446","0.0004","110.208","0.004","102.193","0.003","99.702","0.003","434.47","0.03","150","2","150","2","","","","","","","","5","P -1","-P 1","2","DL-cysteinium semioxalate","","","- C5 H9 N O6 S -","- C5 H9 N O6 S -","- C10 H18 N2 O12 S2 -","2","1","","Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik","Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains","CrystEngComm","2012","14","18","5943","","10.1039/c2ce25241d","","x-ray","0.71073","MoKα","","0.0351","0.0307","","","0.0809","0.0839","","","","","","1.037","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208447","5.65476","0.00017","8.8702","0.0004","9.7344","0.0004","110.377","0.004","102.167","0.003","99.621","0.003","431.74","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","DL-cysteinium semioxalate","","","- C5 H9 N O6 S -","- C5 H9 N O6 S -","- C10 H18 N2 O12 S2 -","2","1","","Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik","Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains","CrystEngComm","2012","14","18","5943","","10.1039/c2ce25241d","","x-ray","0.71073","MoKα","","0.041","0.0346","","","0.0868","0.0902","","","","","","1.054","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208448","5.2748","0.0002","6.6507","0.0003","10.4397","0.0003","86.836","0.003","76.833","0.003","70.093","0.004","335.2","0.02","295","2","295","2","","","","","","","","5","P -1","-P 1","2","DL-cysteinium oxalate","","","- C4 H8 N O4 S -","- C4 H8 N O4 S -","- C8 H16 N2 O8 S2 -","2","1","","Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik","Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains","CrystEngComm","2012","14","18","5943","","10.1039/c2ce25241d","","x-ray","0.71073","MoKα","","0.0358","0.0315","","","0.092","0.0939","","","","","","1.12","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208449","5.2705","0.0003","6.6419","0.0004","10.4243","0.0005","86.895","0.004","76.869","0.004","70.16","0.005","334.17","0.03","275","2","275","2","","","","","","","","5","P -1","-P 1","2","DL-cysteinium oxalate","","","- C4 H8 N O4 S -","- C4 H8 N O4 S -","- C8 H16 N2 O8 S2 -","2","1","","Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik","Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains","CrystEngComm","2012","14","18","5943","","10.1039/c2ce25241d","","x-ray","0.71073","MoKα","","0.0421","0.0351","","","0.1012","0.1041","","","","","","1.069","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208450","5.2672","0.0003","6.6328","0.0004","10.4111","0.0004","86.956","0.004","76.887","0.004","70.227","0.005","333.24","0.03","250","2","250","2","","","","","","","","5","P -1","-P 1","2","DL-cysteinium oxalate","","","- C4 H8 N O4 S -","- C4 H8 N O4 S -","- C8 H16 N2 O8 S2 -","2","1","","Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik","Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains","CrystEngComm","2012","14","18","5943","","10.1039/c2ce25241d","","x-ray","0.71073","MoKα","","0.04","0.0342","","","0.0979","0.1004","","","","","","1.08","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208451","5.2644","0.0003","6.6233","0.0004","10.3965","0.0004","87.021","0.004","76.908","0.004","70.282","0.005","332.26","0.03","225","2","225","2","","","","","","","","5","P -1","-P 1","2","DL-cysteinium oxalate","","","- C4 H8 N O4 S -","- C4 H8 N O4 S -","- C8 H16 N2 O8 S2 -","2","1","","Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik","Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains","CrystEngComm","2012","14","18","5943","","10.1039/c2ce25241d","","x-ray","0.71073","MoKα","","0.0398","0.034","","","0.0976","0.0999","","","","","","1.09","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208452","5.2615","0.0003","6.6145","0.0004","10.3827","0.0004","87.08","0.004","76.924","0.004","70.335","0.005","331.32","0.03","200","2","200","2","","","","","","","","5","P -1","-P 1","2","DL-cysteinium oxalate","","","- C4 H8 N O4 S -","- C4 H8 N O4 S -","- C8 H16 N2 O8 S2 -","2","1","","Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik","Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains","CrystEngComm","2012","14","18","5943","","10.1039/c2ce25241d","","x-ray","0.71073","MoKα","","0.037","0.0328","","","0.0934","0.0951","","","","","","1.098","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208453","5.2589","0.0003","6.6056","0.0004","10.3687","0.0004","87.155","0.004","76.947","0.004","70.385","0.005","330.39","0.03","175","2","175","2","","","","","","","","5","P -1","-P 1","2","DL-cysteinium oxalate","","","- C4 H8 N O4 S -","- C4 H8 N O4 S -","- C8 H16 N2 O8 S2 -","2","1","","Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik","Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains","CrystEngComm","2012","14","18","5943","","10.1039/c2ce25241d","","x-ray","0.71073","MoKα","","0.0391","0.0334","","","0.0916","0.0941","","","","","","1.079","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208454","5.2563","0.0003","6.598","0.0003","10.3562","0.0004","87.226","0.004","76.973","0.004","70.438","0.005","329.58","0.03","150","2","150","2","","","","","","","","5","P -1","-P 1","2","DL-cysteinium oxalate","","","- C4 H8 N O4 S -","- C4 H8 N O4 S -","- C8 H16 N2 O8 S2 -","2","1","","Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik","Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains","CrystEngComm","2012","14","18","5943","","10.1039/c2ce25241d","","x-ray","0.71073","MoKα","","0.0367","0.0325","","","0.0878","0.0894","","","","","","1.089","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208455","5.254","0.0003","6.5904","0.0003","10.3425","0.0004","87.327","0.004","77.009","0.004","70.477","0.005","328.73","0.03","125","2","125","2","","","","","","","","5","P -1","-P 1","2","DL-cysteinium oxalate","","","- C4 H8 N O4 S -","- C4 H8 N O4 S -","- C8 H16 N2 O8 S2 -","2","1","","Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik","Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains","CrystEngComm","2012","14","18","5943","","10.1039/c2ce25241d","","x-ray","0.71073","MoKα","","0.0357","0.0314","","","0.0834","0.0852","","","","","","1.073","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208456","5.2521","0.0002","6.5844","0.0003","10.3311","0.0002","87.44","0.003","77.032","0.003","70.505","0.003","328.02","0.02","100","2","100","2","","","","","","","","5","P -1","-P 1","2","DL-cysteinium oxalate","","","- C4 H8 N O4 S -","- C4 H8 N O4 S -","- C8 H16 N2 O8 S2 -","2","1","","Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik","Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains","CrystEngComm","2012","14","18","5943","","10.1039/c2ce25241d","","x-ray","0.71073","MoKα","","0.0273","0.0257","","","0.0713","0.0719","","","","","","1.08","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208457","5.08996","0.00015","5.8843","0.0002","6.5214","0.0002","96.452","0.003","103.859","0.003","102.076","0.003","182.703","0.011","295","2","295","2","","","","","","","","5","P 1","P 1","1","N-Acetyl-L-Cysteine","","","- C5 H9 N O3 S -","- C5 H9 N O3 S -","- C5 H9 N O3 S -","1","1","","Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik","Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains","CrystEngComm","2012","14","18","5943","","10.1039/c2ce25241d","","x-ray","0.71073","MoKα","","0.0334","0.0291","","","0.0701","0.0729","","","","","","1.04","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208458","5.07618","0.00015","5.8583","0.0002","6.5043","0.0002","96.3","0.003","103.661","0.003","102.203","0.003","181.091","0.011","250","2","250","2","","","","","","","","5","P 1","P 1","1","N-Acetyl-L-Cysteine","","","- C5 H9 N O3 S -","- C5 H9 N O3 S -","- C5 H9 N O3 S -","1","1","","Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik","Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains","CrystEngComm","2012","14","18","5943","","10.1039/c2ce25241d","","x-ray","0.71073","MoKα","","0.0312","0.0287","","","0.0731","0.0746","","","","","","1.053","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208459","5.06381","0.00014","5.83621","0.00018","6.4864","0.0002","96.162","0.003","103.409","0.003","102.331","0.003","179.669","0.01","200","2","200","2","","","","","","","","5","P 1","P 1","1","N-Acetyl-L-Cysteine","","","- C5 H9 N O3 S -","- C5 H9 N O3 S -","- C5 H9 N O3 S -","1","1","","Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik","Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains","CrystEngComm","2012","14","18","5943","","10.1039/c2ce25241d","","x-ray","0.71073","MoKα","","0.0263","0.0252","","","0.0646","0.0652","","","","","","1.085","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208460","5.053","0.00017","5.81773","0.00018","6.4717","0.0002","96.051","0.003","103.212","0.003","102.439","0.003","178.456","0.011","150","2","150","2","","","","","","","","5","P 1","P 1","1","N-Acetyl-L-Cysteine","","","- C5 H9 N O3 S -","- C5 H9 N O3 S -","- C5 H9 N O3 S -","1","1","","Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik","Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains","CrystEngComm","2012","14","18","5943","","10.1039/c2ce25241d","","x-ray","0.71073","MoKα","","0.0244","0.0237","","","0.0615","0.0621","","","","","","1.07","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208461","5.04324","0.00014","5.80332","0.00017","6.4627","0.0002","95.944","0.003","103.086","0.003","102.516","0.003","177.525","0.01","100","2","100","2","","","","","","","","5","P 1","P 1","1","N-Acetyl-L-Cysteine","","","- C5 H9 N O3 S -","- C5 H9 N O3 S -","- C5 H9 N O3 S -","1","1","","Minkov, Vasily S.; Boldyreva, Elena V.; Drebushchak, Tatiana N.; Görbitz, Carl Henrik","Stabilizing structures of cysteine-containing crystals with respect to variations of temperature and pressure by immobilizing amino acid side chains","CrystEngComm","2012","14","18","5943","","10.1039/c2ce25241d","","x-ray","0.71073","MoKα","","0.0236","0.0232","","","0.0604","0.0608","","","","","","1.042","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208462","8.0773","0.0003","21.049","0.0007","34.7351","0.0015","90","","90","","90","","5905.6","0.4","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C23 H28.5 Cd N8 O10.25 -","- C23 H28.5 Cd N8 O10.25 -","- C184 H228 Cd8 N64 O82 -","8","1","","Kan, Wei-Qiu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","A series of coordination polymers based on a multidentate N-donor ligand and different polycarboxylate anions: syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","19","6271","","10.1039/c2ce25388g","","","0.71069","MoKα","","0.0901","0.0547","","","0.1212","0.139","","","","","","1.053","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208463","10.2045","0.0003","16.3187","0.0006","13.9348","0.0005","90","","99.7","0.003","90","","2287.31","0.14","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H16 Cd N8 O4 -","- C23 H16 Cd N8 O4 -","- C92 H64 Cd4 N32 O16 -","4","1","","Kan, Wei-Qiu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","A series of coordination polymers based on a multidentate N-donor ligand and different polycarboxylate anions: syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","19","6271","","10.1039/c2ce25388g","","","0.71069","MoKα","","0.0635","0.0395","","","0.069","0.0782","","","","","","1.018","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208464","9.1097","0.0005","9.5613","0.0005","14.6922","0.0007","88.285","0.004","86.169","0.004","64.289","0.005","1150.42","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H16 Cd N8 O5 -","- C23 H16 Cd N8 O5 -","- C46 H32 Cd2 N16 O10 -","2","1","","Kan, Wei-Qiu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","A series of coordination polymers based on a multidentate N-donor ligand and different polycarboxylate anions: syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","19","6271","","10.1039/c2ce25388g","","","0.71069","MoKα","","0.038","0.0312","","","0.0655","0.069","","","","","","1.028","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208465","11.2255","0.0004","11.5675","0.0003","15.6687","0.0004","94.647","0.002","110.543","0.003","92.245","0.003","1893.96","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H56 Cd5 N16 Na2 O34 -","- C66 H36 Cd5 N16 Na2 O34 -","- C66 H36 Cd5 N16 Na2 O34 -","1","0.5","","Kan, Wei-Qiu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","A series of coordination polymers based on a multidentate N-donor ligand and different polycarboxylate anions: syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","19","6271","","10.1039/c2ce25388g","","","0.71069","MoKα","","0.0346","0.0298","","","0.0781","0.082","","","","","","1.041","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208466","10.0266","0.0002","21.0636","0.0006","16.6202","0.0004","90","","90","","90","","3510.12","0.15","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C33 H24 Cd3 N8 O15 -","- C33 H8 Cd3 N8 O15 -","- C132 H32 Cd12 N32 O60 -","4","0.5","","Kan, Wei-Qiu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","A series of coordination polymers based on a multidentate N-donor ligand and different polycarboxylate anions: syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","19","6271","","10.1039/c2ce25388g","","","0.71069","MoKα","","0.0536","0.0446","","","0.1018","0.1065","","","","","","1.11","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208467","10.1516","0.0004","16.5563","0.0007","13.2469","0.0005","90","","98.846","0.004","90","","2199.96","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H16 N8 O4 Zn -","- C23 H16 N8 O4 Zn -","- C92 H64 N32 O16 Zn4 -","4","1","","Kan, Wei-Qiu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","A series of coordination polymers based on a multidentate N-donor ligand and different polycarboxylate anions: syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","19","6271","","10.1039/c2ce25388g","","","0.71069","MoKα","","0.0566","0.0391","","","0.086","0.0953","","","","","","1.035","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208468","35.7465","0.0014","11.2708","0.0003","14.9426","0.0006","90","","106.934","0.004","90","","5759.2","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H47 N16 O17.5 Zn3 -","- C54 H41 N16 O17.5 Zn3 -","- C216 H164 N64 O70 Zn12 -","4","0.5","","Kan, Wei-Qiu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","A series of coordination polymers based on a multidentate N-donor ligand and different polycarboxylate anions: syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","19","6271","","10.1039/c2ce25388g","","","0.71069","MoKα","","0.0581","0.0403","","","0.0963","0.1045","","","","","","1.046","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208469","9.929","0.0002","16.2793","0.0004","21.263","0.0004","90","","90","","90","","3436.89","0.13","293","2","293","2","","","","","","","","5","P n a m","-P 2c 2n","62","","","","- C33 H24 N8 O15 Zn3 -","- C33 H12 N8 O15 Zn3 -","- C132 H48 N32 O60 Zn12 -","4","0.5","","Kan, Wei-Qiu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","A series of coordination polymers based on a multidentate N-donor ligand and different polycarboxylate anions: syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","19","6271","","10.1039/c2ce25388g","","","0.71069","MoKα","","0.0839","0.0808","","","0.1661","0.1675","","","","","","1.17","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208470","9.652","0.005","10.704","0.005","11.159","0.006","90","","90","","90","","1152.9","1","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H5 N3 O4 Zn -","- C10 H5 N3 O4 Zn -","- C40 H20 N12 O16 Zn4 -","4","1","","Zheng, Sheng-Run; Cai, Song-Liang; Tan, Jing-Bo; Fan, Jun; Zhang, Wei-Guang","Spontaneous resolution of a coordination polymer containing stereogenic five-coordinate Zn(ii) centers and achiral ligands with axially chiral conformation","CrystEngComm","2012","14","19","6241","","10.1039/c2ce25428j","","","0.71073","MoKα","","0.0501","0.0361","","","0.0833","0.0908","","","","","","1.002","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208471","9.641","0.002","10.711","0.002","11.172","0.003","90","","90","","90","","1153.7","0.4","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H5 N3 O4 Zn -","- C10 H5 N3 O4 Zn -","- C40 H20 N12 O16 Zn4 -","4","1","","Zheng, Sheng-Run; Cai, Song-Liang; Tan, Jing-Bo; Fan, Jun; Zhang, Wei-Guang","Spontaneous resolution of a coordination polymer containing stereogenic five-coordinate Zn(ii) centers and achiral ligands with axially chiral conformation","CrystEngComm","2012","14","19","6241","","10.1039/c2ce25428j","","","0.71073","MoKα","","0.0712","0.0414","","","0.0802","0.0901","","","","","","1.02","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208472","20.4862","0.0005","16.2663","0.0005","16.9774","0.0005","90","","99.12","0.003","90","","5585.9","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C96 H116 N20 O32 Zn4 -","- C96 H92 N20 O32 Zn4 -","- C192 H184 N40 O64 Zn8 -","2","0.25","","Zhang, Yun-Xue; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang","A series of coordination polymers based on flexible 5-carboxy-1-(4′-carboxybenzyl)-2-oxidopyridinium and structurally related N-donor ligands: syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","18","6004","","10.1039/c2ce25439e","","","0.71073","MoKα","","0.0772","0.0553","","","0.1505","0.1645","","","","","","1.057","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208473","24.6475","0.0019","7.5175","0.0004","23.1062","0.0017","90","","115.938","0.009","90","","3850","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H16 Co N3 O5 -","- C19 H16 Co N3 O5 -","- C152 H128 Co8 N24 O40 -","8","1","","Zhang, Yun-Xue; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang","A series of coordination polymers based on flexible 5-carboxy-1-(4′-carboxybenzyl)-2-oxidopyridinium and structurally related N-donor ligands: syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","18","6004","","10.1039/c2ce25439e","","","0.71073","MoKα","","0.0637","0.0417","","","0.0757","0.0841","","","","","","1.027","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7208474","12.173","0.0006","24.055","0.001","14.235","0.0006","90","","91.543","0.004","90","","4166.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C79 H74 N8 O14 Zn2 -","- C79 H67.6 N8 O14 Zn2 -","- C158 H135.2 N16 O28 Zn4 -","2","0.5","","Zhang, Yun-Xue; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang","A series of coordination polymers based on flexible 5-carboxy-1-(4′-carboxybenzyl)-2-oxidopyridinium and structurally related N-donor ligands: syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","18","6004","","10.1039/c2ce25439e","","","0.71069","MoKα","","0.1754","0.087","","","0.1588","0.1887","","","","","","1.076","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7208475","12.617","0.0008","25.866","0.001","11.461","0.0007","90","","120.449","0.008","90","","3224.5","0.4","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C39 H32 Co N4 O5 -","- C39 H32 Co N4 O5 -","- C156 H128 Co4 N16 O20 -","4","1","","Zhang, Yun-Xue; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang","A series of coordination polymers based on flexible 5-carboxy-1-(4′-carboxybenzyl)-2-oxidopyridinium and structurally related N-donor ligands: syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","18","6004","","10.1039/c2ce25439e","","","0.71069","MoKα","","0.0496","0.0377","","","0.0613","0.0663","","","","","","0.99","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7208476","5.543","0.0003","14.59","0.0007","14.935","0.0007","100.202","0.004","94.958","0.004","98.558","0.004","1167.58","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H42 Cd2 N6 O14 -","- C52 H34 Cd2 N6 O14 -","- C52 H34 Cd2 N6 O14 -","1","0.5","","Zhang, Yun-Xue; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang","A series of coordination polymers based on flexible 5-carboxy-1-(4′-carboxybenzyl)-2-oxidopyridinium and structurally related N-donor ligands: syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","18","6004","","10.1039/c2ce25439e","","","0.71069","MoKα","","0.0375","0.0319","","","0.0708","0.0748","","","","","","1.044","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7208477","11.64","0.0008","7.142","0.0003","22.778","0.001","90","","91.812","0.005","90","","1892.65","0.17","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C34 H30 Cd3 N8 O14 -","- C34 H30 Cd3 N8 O14 -","- C68 H60 Cd6 N16 O28 -","2","0.5","","Zhang, Yun-Xue; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang","A series of coordination polymers based on flexible 5-carboxy-1-(4′-carboxybenzyl)-2-oxidopyridinium and structurally related N-donor ligands: syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","18","6004","","10.1039/c2ce25439e","","","0.71069","MoKα","","0.0865","0.0566","","","0.1045","0.119","","","","","","1.021","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208478","4.864","0.0003","9.645","0.0006","27.587","0.0017","90","","92.265","0.006","90","","1293.19","0.14","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H20 N2 O11 Pb2 -","- C28 H18 N2 O11 Pb2 -","- C56 H36 N4 O22 Pb4 -","2","0.5","","Zhang, Yun-Xue; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang","A series of coordination polymers based on flexible 5-carboxy-1-(4′-carboxybenzyl)-2-oxidopyridinium and structurally related N-donor ligands: syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","18","6004","","10.1039/c2ce25439e","","","0.71073","MoKα","","0.0691","0.0439","","","0.0785","0.0933","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208479","12.028","0.003","6.7017","0.0019","8.628","0.003","90","","97.218","0.004","90","","690","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 Co O6 -","- C16 H12 Co O6 -","- C32 H24 Co2 O12 -","2","0.5","","Gao, Ting; Wang, Xiao-Zhu; Gu, Hao-Xue; Xu, Yan; Shen, Xuan; Zhu, Dun-Ru","Two 3D metal‒organic frameworks with different topologies, thermal stabilities and magnetic properties","CrystEngComm","2012","14","18","5905","","10.1039/c2ce25442e","","","0.71073","MoKα","","0.0596","0.0398","","","0.0972","0.1369","","","","","","1.055","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208480","7.7455","0.0014","7.7455","0.0014","24.912","0.009","90","","90","","90","","1494.5","0.7","296","2","296","2","","","","","","","","4","I -4","I -4","82","","","","- C16 H12 Mn O6 -","- C16 Mn O6 -","- C64 Mn4 O24 -","4","0.5","","Gao, Ting; Wang, Xiao-Zhu; Gu, Hao-Xue; Xu, Yan; Shen, Xuan; Zhu, Dun-Ru","Two 3D metal‒organic frameworks with different topologies, thermal stabilities and magnetic properties","CrystEngComm","2012","14","18","5905","","10.1039/c2ce25442e","","","0.71073","MoKα","","0.0556","0.0483","","","0.1272","0.133","","","","","","1.083","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7208481","6.5797","0.0002","7.7589","0.0002","18.7911","0.0004","90","","90","","90","","959.31","0.04","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 Li -","- C12 H11 Li -","- C48 H44 Li4 -","4","1","","Foy, Justin T.; Wilkes, Elise B.; Aprahamian, Ivan","Self-assembly of benzyl cyclopentadienyl lithium","CrystEngComm","2012","14","19","6126","","10.1039/c2ce25447f","","x-ray","0.71073","MoKα","","0.0495","0.0355","","","0.0705","0.0765","","","","","","1.09","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208482","12.4772","0.0002","12.226","0.0001","18.0714","0.0003","90","","120.468","0.001","90","","2376.06","0.06","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 N4 O6.5 Zn -","- C26 H19 N4 O6.5 Zn -","- C104 H76 N16 O26 Zn4 -","4","1","","Sun, Gong-ming; Song, Yu-mei; Liu, Yan; Tian, Xiao-zhao; Huang, Hai-xiao; Zhu, Yan; Yuan, Zi-jun; Feng, Xue-feng; Luo, Ming-biao; Liu, Shu-juan; Xu, Wen-yuan; Luo, Feng","A novel 2D→3D array in a vertical mode containing both polyrotaxane and polycatenane motifs","CrystEngComm","2012","14","18","5714","","10.1039/c2ce25456e","","","0.71073","MoKα","","0.0384","0.0325","","","0.0801","0.0858","","","","","","1.072","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208483","7.4937","0.0013","11.609","0.002","14.781","0.003","102.927","0.003","102.71","0.003","93.364","0.003","1214.7","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H40 Cl12 N10 O4 Pt3 -","- C36 H40 Cl12 N10 O4 Pt3 -","- C36 H40 Cl12 N10 O4 Pt3 -","1","0.5","","Enríquez, Adriana Cruz; Pérez, Marely G. Figueroa; Sánchez, Jorge L. Almaral; Höpfl, Herbert; Parra-Hake, Miguel; Campos-Gaxiola, José J.","Supramolecular networks in organic‒inorganic hybrid materials from perchlorometalate(ii) salts and 2,4,5-tri(4-pyridyl)imidazole","CrystEngComm","2012","14","19","6146","","10.1039/c2ce25476j","","","0.71073","MoKα","","0.0672","0.056","","","0.1103","0.1154","","","","","","1.143","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208484","6.9399","0.0008","14.5758","0.0017","21.126","0.003","90","","92.407","0.002","90","","2135.1","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Cl5 Cu N5 -","- C18 H16 Cl5 Cu N5 -","- C72 H64 Cl20 Cu4 N20 -","4","1","","Enríquez, Adriana Cruz; Pérez, Marely G. Figueroa; Sánchez, Jorge L. Almaral; Höpfl, Herbert; Parra-Hake, Miguel; Campos-Gaxiola, José J.","Supramolecular networks in organic‒inorganic hybrid materials from perchlorometalate(ii) salts and 2,4,5-tri(4-pyridyl)imidazole","CrystEngComm","2012","14","19","6146","","10.1039/c2ce25476j","","","0.71073","MoKα","","0.041","0.0383","","","0.0839","0.0851","","","","","","1.218","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208485","7.5469","0.0008","11.5778","0.0012","14.6595","0.0015","102.136","0.002","102.265","0.002","93.705","0.002","1215.7","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H40 Cl12 N10 O4 Pd3 -","- C36 H40 Cl12 N10 O4 Pd3 -","- C36 H40 Cl12 N10 O4 Pd3 -","1","0.5","","Enríquez, Adriana Cruz; Pérez, Marely G. Figueroa; Sánchez, Jorge L. Almaral; Höpfl, Herbert; Parra-Hake, Miguel; Campos-Gaxiola, José J.","Supramolecular networks in organic‒inorganic hybrid materials from perchlorometalate(ii) salts and 2,4,5-tri(4-pyridyl)imidazole","CrystEngComm","2012","14","19","6146","","10.1039/c2ce25476j","","","0.71073","MoKα","","0.0376","0.0333","","","0.078","0.081","","","","","","1.042","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208486","8.3938","0.0015","21.103","0.004","16.647","0.003","90","","102.118","0.005","90","","2883","0.9","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H21 N7 O2 S4 Zn -","- C22 H21 N7 O2 S4 Zn -","- C88 H84 N28 O8 S16 Zn4 -","4","1","","Briceño, Alexander; Hill, Yennifer","Exploring the use of anionic homoleptic complexes as templates in the design of photoreactive multi-component supramolecular assemblies","CrystEngComm","2012","14","19","6121","","10.1039/c2ce25481f","","","0.7107","MoKα","","0.0691","0.0461","","","0.0985","0.1125","","","","","","1.06","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208487","14.14","0.005","14.784","0.004","11.087","0.004","90","","103.242","0.011","90","","2256.1","1.3","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C16 H16 N6 O2 S4 Zn -","- C16 H16 N6 O2 S4 Zn -","- C64 H64 N24 O8 S16 Zn4 -","4","0.5","","Briceño, Alexander; Hill, Yennifer","Exploring the use of anionic homoleptic complexes as templates in the design of photoreactive multi-component supramolecular assemblies","CrystEngComm","2012","14","19","6121","","10.1039/c2ce25481f","","","0.7107","MoKα","","0.0586","0.042","","","0.1048","0.1172","","","","","","1.046","","","","has coordinates,has disorder","180415","2020-10-21","18:00:00",""
"7208488","4.722","0.003","21.523","0.011","20.208","0.011","90","","93.513","0.016","90","","2050","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 N6 S4 Zn -","- C16 H12 N6 S4 Zn -","- C64 H48 N24 S16 Zn4 -","4","1","","Briceño, Alexander; Hill, Yennifer","Exploring the use of anionic homoleptic complexes as templates in the design of photoreactive multi-component supramolecular assemblies","CrystEngComm","2012","14","19","6121","","10.1039/c2ce25481f","","","0.7107","MoKα","","0.069","0.0466","","","0.1089","0.1251","","","","","","1.064","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208489","14.756","0.007","12.82","0.006","16.142","0.008","90","","100.053","0.013","90","","3007","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H52 Fe N14 O4 S6 -","- C54 H52 Fe N14 O4 S6 -","- C108 H104 Fe2 N28 O8 S12 -","2","0.5","","Briceño, Alexander; Hill, Yennifer","Exploring the use of anionic homoleptic complexes as templates in the design of photoreactive multi-component supramolecular assemblies","CrystEngComm","2012","14","19","6121","","10.1039/c2ce25481f","","","0.7107","MoKα","","0.2002","0.11","","","0.2647","0.3234","","","","","","1.092","","","","has coordinates,has disorder","180415","2020-10-21","18:00:00",""
"7208490","14.545","0.003","13.784","0.003","16.111","0.003","90","","101.06","0.03","90","","3170.1","1.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 Co N6 S4 -","- C30 H24 Co N6 S4 -","- C120 H96 Co4 N24 S16 -","4","1","","Briceño, Alexander; Hill, Yennifer","Exploring the use of anionic homoleptic complexes as templates in the design of photoreactive multi-component supramolecular assemblies","CrystEngComm","2012","14","19","6121","","10.1039/c2ce25481f","","","0.71073","MoKα","","0.1881","0.0842","","","0.1792","0.2284","","","","","","1.096","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208491","13.956","0.003","13.69","0.003","13.951","0.003","90","","99.09","0.03","90","","2632","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H24 Cl4 N2 Zn -","- C26 H24 Cl4 N2 Zn -","- C104 H96 Cl16 N8 Zn4 -","4","0.5","","Briceño, Alexander; Hill, Yennifer","Exploring the use of anionic homoleptic complexes as templates in the design of photoreactive multi-component supramolecular assemblies","CrystEngComm","2012","14","19","6121","","10.1039/c2ce25481f","","","0.71073","MoKα","","0.0471","0.0375","","","0.0927","0.1012","","","","","","1.062","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208492","14.585","0.007","13.793","0.006","16.038","0.007","90","","101.247","0.014","90","","3164","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 N6 S4 Zn -","- C30 H24 N6 S4 Zn -","- C120 H96 N24 S16 Zn4 -","4","1","","Briceño, Alexander; Hill, Yennifer","Exploring the use of anionic homoleptic complexes as templates in the design of photoreactive multi-component supramolecular assemblies","CrystEngComm","2012","14","19","6121","","10.1039/c2ce25481f","","","0.7107","MoKα","","0.1887","0.0687","","","0.1453","0.1909","","","","","","1.035","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208493","19.777","0.003","19.777","0.003","46.892","0.009","90","","90","","90","","18341","5","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C100 H79 N10 O25 Zn5 -","- C100 H66 N10 O25 Zn5 -","- C800 H528 N80 O200 Zn40 -","8","0.5","","Dai, Ming; Yan, Wen-Yan; Ren, Zhi-Gang; Wang, Hui-Fang; Gong, Wei-Jie; Li, Fu-Ling; Zhao, Xin; Li, Hong-Xi; Lang, Jian-Ping","Zinc(ii) coordination polymers of tetrakis(4-pyridyl)cyclobutane and various dicarboxylates: Syntheses, structures and luminescent properties","CrystEngComm","2012","14","19","6230","","10.1039/c2ce25482d","","","0.71073","MoKα","","0.1295","0.1","","","0.2486","0.2707","","","","","","1.175","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208494","19.022","0.004","16.166","0.003","29.481","0.006","90","","99.32","0.03","90","","8946","3","293.15","","293.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C106 H75 N9 O16 Zn4 -","- C106 H75 N9 O16 Zn4 -","- C424 H300 N36 O64 Zn16 -","4","0.5","","Dai, Ming; Yan, Wen-Yan; Ren, Zhi-Gang; Wang, Hui-Fang; Gong, Wei-Jie; Li, Fu-Ling; Zhao, Xin; Li, Hong-Xi; Lang, Jian-Ping","Zinc(ii) coordination polymers of tetrakis(4-pyridyl)cyclobutane and various dicarboxylates: Syntheses, structures and luminescent properties","CrystEngComm","2012","14","19","6230","","10.1039/c2ce25482d","","","0.71073","MoKα","","0.1029","0.0624","","","0.1324","0.1538","","","","","","1.086","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208495","11.398","0.002","7.0474","0.0014","25.64","0.007","90","","107.84","0.03","90","","1960.5","0.8","223.15","","223.15","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C21 H18 N2 O5 Zn -","- C21 H16 N2 O5 Zn -","- C84 H64 N8 O20 Zn4 -","4","1","","Dai, Ming; Yan, Wen-Yan; Ren, Zhi-Gang; Wang, Hui-Fang; Gong, Wei-Jie; Li, Fu-Ling; Zhao, Xin; Li, Hong-Xi; Lang, Jian-Ping","Zinc(ii) coordination polymers of tetrakis(4-pyridyl)cyclobutane and various dicarboxylates: Syntheses, structures and luminescent properties","CrystEngComm","2012","14","19","6230","","10.1039/c2ce25482d","","","0.71073","MoKα","","0.1293","0.0803","","","0.1933","0.2465","","","","","","1.18","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208496","21.739","0.004","23.577","0.005","7.4591","0.0015","90","","90","","90","","3823.1","1.3","293.15","","293.15","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C42 H30 N4 O13 Zn2 -","- C42 H28 N4 O13 Zn2 -","- C168 H112 N16 O52 Zn8 -","4","1","","Dai, Ming; Yan, Wen-Yan; Ren, Zhi-Gang; Wang, Hui-Fang; Gong, Wei-Jie; Li, Fu-Ling; Zhao, Xin; Li, Hong-Xi; Lang, Jian-Ping","Zinc(ii) coordination polymers of tetrakis(4-pyridyl)cyclobutane and various dicarboxylates: Syntheses, structures and luminescent properties","CrystEngComm","2012","14","19","6230","","10.1039/c2ce25482d","","","0.71073","MoKα","","0.0506","0.0423","","","0.0966","0.1019","","","","","","1.017","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208497","30.9","0.006","7.6409","0.0015","16.156","0.003","90","","103.35","0.03","90","","3711.4","1.3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H17 N3 O5 Zn -","- C20 H17 N3 O5 Zn -","- C160 H136 N24 O40 Zn8 -","8","1","","Dai, Ming; Yan, Wen-Yan; Ren, Zhi-Gang; Wang, Hui-Fang; Gong, Wei-Jie; Li, Fu-Ling; Zhao, Xin; Li, Hong-Xi; Lang, Jian-Ping","Zinc(ii) coordination polymers of tetrakis(4-pyridyl)cyclobutane and various dicarboxylates: Syntheses, structures and luminescent properties","CrystEngComm","2012","14","19","6230","","10.1039/c2ce25482d","","","0.71073","MoKα","","0.1493","0.1197","","","0.3091","0.3334","","","","","","1.209","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208498","30.877","0.006","8.0459","0.0016","9.1577","0.0018","90","","90","","90","","2275.1","0.8","293.15","","293.15","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C27 H18 N2 O5 Zn -","- C27 H18 N2 O5 Zn -","- C108 H72 N8 O20 Zn4 -","4","1","","Dai, Ming; Yan, Wen-Yan; Ren, Zhi-Gang; Wang, Hui-Fang; Gong, Wei-Jie; Li, Fu-Ling; Zhao, Xin; Li, Hong-Xi; Lang, Jian-Ping","Zinc(ii) coordination polymers of tetrakis(4-pyridyl)cyclobutane and various dicarboxylates: Syntheses, structures and luminescent properties","CrystEngComm","2012","14","19","6230","","10.1039/c2ce25482d","","","0.71073","MoKα","","0.1244","0.0635","","","0.1344","0.1767","","","","","","0.845","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208499","17.8372","0.0019","21.164","0.002","21.721","0.002","90","","90.3","0.002","90","","8199.7","1.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H40 Cd2 N4 O9 -","- C40 H40 Cd2 N4 O9 -","- C160 H160 Cd8 N16 O36 -","4","1","","Gao, Wen-Yang; Niu, Youhong; Chen, Yao; Wojtas, Lukasz; Cai, Jianfeng; Chen, Yu-Sheng; Ma, Shengqian","Porous metal‒organic framework based on a macrocyclic tetracarboxylate ligand exhibiting selective CO2 uptake","CrystEngComm","2012","14","19","6115","","10.1039/c2ce25484k","","","0.49594","synchrotron","","0.1012","0.0725","","","0.193","0.2019","","","","","","1.031","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208500","7.5375","0.0011","8.5549","0.0012","14.7035","0.0021","101.088","0.002","98.465","0.002","92.66","0.002","917.6","0.2","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H34 N4 O10 -","- C40 H34 N4 O10 -","- C40 H34 N4 O10 -","1","0.5","","Lim, Jaebum; Osowska, Karolina; Armitage, Jacob A.; Martin, Benjamin R.; Miljanić, Ognjen Š.","Critical role of weak [C‒H⋯O] hydrogen bonds in the assembly of benzo[1,2-d:4,5-d′]bisoxazole cruciforms into supramolecular sheets","CrystEngComm","2012","14","19","6152","","10.1039/c2ce25485a","","","0.71073","MoKα","","0.0896","0.0453","","","0.1164","0.149","","","","","","1.022","","","","has coordinates,has disorder","180416","2020-10-21","18:00:00",""
"7208501","9.041","0.0018","10.56","0.002","11.85","0.002","65.99","0.03","79.99","0.03","88.69","0.03","1016.3","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H34 Cl4 N4 O4 -","- C44 H34 Cl4 N4 O4 -","- C44 H34 Cl4 N4 O4 -","1","0.5","","Lim, Jaebum; Osowska, Karolina; Armitage, Jacob A.; Martin, Benjamin R.; Miljanić, Ognjen Š.","Critical role of weak [C‒H⋯O] hydrogen bonds in the assembly of benzo[1,2-d:4,5-d′]bisoxazole cruciforms into supramolecular sheets","CrystEngComm","2012","14","19","6152","","10.1039/c2ce25485a","","","0.71075","MoKα","","0.1831","0.0869","","","0.232","0.2945","","","","","","1.028","","","","has coordinates,has disorder","180416","2020-10-21","18:00:00",""
"7208502","7.4382","0.0009","17.0249","0.0019","20.224","0.002","96.374","0.009","97.194","0.009","94.166","0.008","2515.4","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","uhouston01","uhouston01","","- C60 H34 N4 O6 -","- C60 H34 N4 O6 -","- C120 H68 N8 O12 -","2","1","","Lim, Jaebum; Osowska, Karolina; Armitage, Jacob A.; Martin, Benjamin R.; Miljanić, Ognjen Š.","Critical role of weak [C‒H⋯O] hydrogen bonds in the assembly of benzo[1,2-d:4,5-d′]bisoxazole cruciforms into supramolecular sheets","CrystEngComm","2012","14","19","6152","","10.1039/c2ce25485a","","","1.54178","CuKα","","0.1112","0.0799","","","0.2156","0.2316","","","","","","1.046","","","","has coordinates,has disorder","204147","2020-10-21","18:00:00",""
"7208503","13.4049","0.0004","48.9616","0.0014","12.2121","0.0004","90","","90","","90","","8015.1","0.4","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C18 H27 N3 O6 -","- C18 H27 N3 O6 -","- C288 H432 N48 O96 -","16","1","","Singh, Rajiv K.; Hou, Xiaodong; Overby, Molly; Schober, Matthew; Chu, Qianli","Hydrogen bonded chiral sheet self-assembled from a C3-symmetric tricarbamate","CrystEngComm","2012","14","19","6132","","10.1039/c2ce25487e","","","0.71073","MoKα","","0.0298","0.0273","","","0.0763","0.0814","","","","","","1.091","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208504","15.4964","0.0011","8.8674","0.0006","13.2985","0.0009","90","","109.423","0.001","90","","1723.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Theophylline-melamine","","","- C12 H20 N10 O3 S -","- C12 H20 N10 O3 S -","- C48 H80 N40 O12 S4 -","4","1","","Abourahma, Heba; Urban, Jennifer M.; Morozowich, Nicole; Chan, Benny","Examining the robustness of a theophylline cocrystal during grinding with additives","CrystEngComm","2012","14","19","6163","","10.1039/c2ce25495f","","","0.71073","MoKα","","0.0443","0.0345","","","0.0852","0.0913","","","","","","1.044","","","","has coordinates,has disorder","180416","2020-10-21","18:00:00",""
"7208505","9.7398","0.0015","14.884","0.002","23.545","0.004","90","","98.88","0.002","90","","3372.3","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H53 N4 O7 P -","- C29 H53 N4 O7 P -","- C116 H212 N16 O28 P4 -","4","1","","Dalapati, Sasanka; Alam, Md. Akhtarul; Jana, Sankar; Guchhait, Nikhil","Reduced Schiff-base assisted novel dihydrogenphosphate‒water polymer","CrystEngComm","2012","14","18","6029","","10.1039/c2ce25502b","","","0.71073","MoKα","","0.1177","0.0676","","","0.178","0.2101","","","","","","1.004","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208506","13.111","0.0004","5.9151","0.0002","16.309","0.0005","90","","110.012","0.001","90","","1188.44","0.07","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 N3 O2 -","- C13 H13 N3 O2 -","- C52 H52 N12 O8 -","4","1","","Dalapati, Sasanka; Alam, Md. Akhtarul; Jana, Sankar; Guchhait, Nikhil","Reduced Schiff-base assisted novel dihydrogenphosphate‒water polymer","CrystEngComm","2012","14","18","6029","","10.1039/c2ce25502b","","","0.71073","MoKα","","0.0457","0.0358","","","0.1031","0.1124","","","","","","1.031","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208507","15.007","0.013","10.891","0.009","16.137","0.014","90","","114.279","0.01","90","","2404","4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 N4 O2 -","- C12 H12 N4 O2 -","- C96 H96 N32 O16 -","8","1","","Dalapati, Sasanka; Alam, Md. Akhtarul; Jana, Sankar; Guchhait, Nikhil","Reduced Schiff-base assisted novel dihydrogenphosphate‒water polymer","CrystEngComm","2012","14","18","6029","","10.1039/c2ce25502b","","","0.71073","MoKα","","0.1012","0.0469","","","0.1091","0.1347","","","","","","0.959","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208508","9.602","0.005","13.194","0.005","15.104","0.005","113.014","0.005","94.332","0.005","105.702","0.005","1659.6","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H52 N5 O7 P -","- C28 H52 N5 O7 P -","- C56 H104 N10 O14 P2 -","2","1","","Dalapati, Sasanka; Alam, Md. Akhtarul; Jana, Sankar; Guchhait, Nikhil","Reduced Schiff-base assisted novel dihydrogenphosphate‒water polymer","CrystEngComm","2012","14","18","6029","","10.1039/c2ce25502b","","","0.71073","MoKα","","0.0678","0.0532","","","0.153","0.167","","","","","","1.045","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208509","10.4208","0.0006","10.3302","0.0006","34.5404","0.0019","90","","94.195","0.002","90","","3708.3","0.4","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C45 H38 N2 O9 -","- C45 H38 N2 O9 -","- C180 H152 N8 O36 -","4","1","","Kole, Goutam Kumar; Tan, Geok Kheng; Koh, Lip Lin; Vittal, Jagadese J.","Co-crystals of tetrakis-1,2,3,4-(4′-carboxyphenyl)cyclobutane with dipyridyl spacers: design and serendipity","CrystEngComm","2012","14","19","6190","","10.1039/c2ce25513h","","","0.71073","MoKα","","0.103","0.0741","","","0.1636","0.1796","","","","","","1.03","","","","has coordinates,has disorder","180416","2020-10-21","18:00:00",""
"7208510","18.6545","0.0008","12.6058","0.0005","21.7602","0.0009","90","","90","","90","","5117","0.4","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C58 H54 N6 O10 -","- C58 H54 N6 O10 -","- C232 H216 N24 O40 -","4","1","","Kole, Goutam Kumar; Tan, Geok Kheng; Koh, Lip Lin; Vittal, Jagadese J.","Co-crystals of tetrakis-1,2,3,4-(4′-carboxyphenyl)cyclobutane with dipyridyl spacers: design and serendipity","CrystEngComm","2012","14","19","6190","","10.1039/c2ce25513h","","","0.71073","MoKα","","0.1559","0.1443","","","0.3535","0.3719","","","","","","1.632","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208511","18.6545","0.0008","21.7602","0.0009","12.6058","0.0005","90","","90","","90","","5117","0.4","100","2","100","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C58 H54 N6 O10 -","- C58 H54 N6 O10 -","- C232 H216 N24 O40 -","4","0.5","","Kole, Goutam Kumar; Tan, Geok Kheng; Koh, Lip Lin; Vittal, Jagadese J.","Co-crystals of tetrakis-1,2,3,4-(4′-carboxyphenyl)cyclobutane with dipyridyl spacers: design and serendipity","CrystEngComm","2012","14","19","6190","","10.1039/c2ce25513h","","","0.71073","MoKα","","0.1071","0.0982","","","0.2089","0.2127","","","","","","1.195","","","","has coordinates,has disorder","180416","2020-10-21","18:00:00",""
"7208512","28.787","0.003","10.7716","0.0012","14.7431","0.0016","90","","95.24","0.003","90","","4552.5","0.9","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C52 H56 N4 O11 -","- C52 H56 N4 O11 -","- C208 H224 N16 O44 -","4","0.5","","Kole, Goutam Kumar; Tan, Geok Kheng; Koh, Lip Lin; Vittal, Jagadese J.","Co-crystals of tetrakis-1,2,3,4-(4′-carboxyphenyl)cyclobutane with dipyridyl spacers: design and serendipity","CrystEngComm","2012","14","19","6190","","10.1039/c2ce25513h","","","0.71073","MoKα","","0.1042","0.0729","","","0.1804","0.1995","","","","","","1.087","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208513","13.8994","0.0007","5.4845","0.0003","13.1317","0.0006","90","","101.948","0.002","90","","979.36","0.09","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","P50 2-aminopyrazine, (4-NO2-PhCOOH)2","","- C18 H15 N5 O8 -","- C18 H15 N5 O8 -","- C36 H30 N10 O16 -","2","0.5","","Aakeröy, Christer B.; Chopade, Prashant D.; Ganser, Claudia; Rajbanshi, Arbin; Desper, John","Exploring the structural landscape of 2-aminopyrazines via co-crystallizations","CrystEngComm","2012","14","18","5845","","10.1039/c2ce25516b","","","0.71073","MoKα","","0.1557","0.0707","","","0.1821","0.2208","","","","","","1.055","","","","has coordinates,has disorder","180416","2020-10-21","18:00:00",""
"7208514","7.6755","0.0011","8.8822","0.0011","9.6107","0.0015","84.645","0.01","82.063","0.011","74.877","0.01","625.34","0.16","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","P54 2-aminopyrazine, 3,5-(NO2)2-PhCOOH","","- C11 H9 N5 O6 -","- C11 H9 N5 O6 -","- C22 H18 N10 O12 -","2","1","","Aakeröy, Christer B.; Chopade, Prashant D.; Ganser, Claudia; Rajbanshi, Arbin; Desper, John","Exploring the structural landscape of 2-aminopyrazines via co-crystallizations","CrystEngComm","2012","14","18","5845","","10.1039/c2ce25516b","","","0.71073","MoKα","","0.2102","0.0989","","","0.2664","0.3508","","","","","","1.083","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208515","5.993","0.001","12.1894","0.0018","12.995","0.002","90","","98.803","0.008","90","","938.1","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","P55 2-aminopyrazine, 3-NO2-PhCOOH","","- C18 H15 N5 O8 -","- C18 H15 N5 O8 -","- C36 H30 N10 O16 -","2","0.5","","Aakeröy, Christer B.; Chopade, Prashant D.; Ganser, Claudia; Rajbanshi, Arbin; Desper, John","Exploring the structural landscape of 2-aminopyrazines via co-crystallizations","CrystEngComm","2012","14","18","5845","","10.1039/c2ce25516b","","","0.71073","MoKα","","0.0683","0.0494","","","0.1387","0.1511","","","","","","1.106","","","","has coordinates,has disorder","180416","2020-10-21","18:00:00",""
"7208516","5.3982","0.0009","19.505","0.003","6.9524","0.0012","90","","104.487","0.01","90","","708.8","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","D3 2-aminopyrazine, HOOC-(CH2)2-COOH","","- C12 H16 N6 O4 -","- C12 H16 N6 O4 -","- C24 H32 N12 O8 -","2","0.5","","Aakeröy, Christer B.; Chopade, Prashant D.; Ganser, Claudia; Rajbanshi, Arbin; Desper, John","Exploring the structural landscape of 2-aminopyrazines via co-crystallizations","CrystEngComm","2012","14","18","5845","","10.1039/c2ce25516b","","","0.71073","MoKα","","0.2198","0.1548","","","0.2756","0.2946","","","","","","1.486","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208517","5.2487","0.0003","29.2633","0.0018","7.2357","0.0005","90","","104.958","0.003","90","","1073.7","0.12","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","D8 2-aminopyrazine, HOOC-(CH2)3-COOH","","- C9 H13 N3 O4 -","- C9 H13 N3 O4 -","- C36 H52 N12 O16 -","4","1","","Aakeröy, Christer B.; Chopade, Prashant D.; Ganser, Claudia; Rajbanshi, Arbin; Desper, John","Exploring the structural landscape of 2-aminopyrazines via co-crystallizations","CrystEngComm","2012","14","18","5845","","10.1039/c2ce25516b","","","0.71073","MoKα","","0.0707","0.0485","","","0.1322","0.1459","","","","","","1.066","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208518","5.0231","0.0005","34.308","0.003","7.4377","0.0008","90","","102.85","0.005","90","","1249.7","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","D9 2-aminopyrazine, HOOC-(CH2)5-COOH","","- C11 H17 N3 O4 -","- C11 H17 N3 O4 -","- C44 H68 N12 O16 -","4","1","","Aakeröy, Christer B.; Chopade, Prashant D.; Ganser, Claudia; Rajbanshi, Arbin; Desper, John","Exploring the structural landscape of 2-aminopyrazines via co-crystallizations","CrystEngComm","2012","14","18","5845","","10.1039/c2ce25516b","","","0.71073","MoKα","","0.0655","0.0449","","","0.1249","0.1366","","","","","","1.041","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208519","7.7749","0.0005","9.8014","0.0007","9.2097","0.0006","90","","101.56","0.003","90","","687.59","0.08","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","D5 2-aminopyrazine, HOOC-(CH2)6-COOH","","- C12 H19 N3 O4 -","- C12 H19 N3 O4 -","- C24 H38 N6 O8 -","2","1","","Aakeröy, Christer B.; Chopade, Prashant D.; Ganser, Claudia; Rajbanshi, Arbin; Desper, John","Exploring the structural landscape of 2-aminopyrazines via co-crystallizations","CrystEngComm","2012","14","18","5845","","10.1039/c2ce25516b","","","0.71073","MoKα","","0.0716","0.051","","","0.1419","0.1544","","","","","","1.099","","","","has coordinates,has disorder","180416","2020-10-21","18:00:00",""
"7208520","5.7935","0.0006","7.509","0.0008","8.7271","0.0008","92.984","0.004","91.952","0.005","98.57","0.005","374.57","0.07","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","D4 2-aminopyrazine, HOOC-(CH2)8-COOH","","- C14 H23 N3 O4 -","- C14 H23 N3 O4 -","- C14 H23 N3 O4 -","1","0.5","","Aakeröy, Christer B.; Chopade, Prashant D.; Ganser, Claudia; Rajbanshi, Arbin; Desper, John","Exploring the structural landscape of 2-aminopyrazines via co-crystallizations","CrystEngComm","2012","14","18","5845","","10.1039/c2ce25516b","","","0.71073","MoKα","","0.0535","0.0454","","","0.1307","0.1366","","","","","","1.069","","","","has coordinates,has disorder","180416","2020-10-21","18:00:00",""
"7208521","6.8754","0.0007","7.1197","0.0007","13.8665","0.0014","87.951","0.003","86.435","0.003","72.915","0.004","647.46","0.11","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","P13 2,6-Br2-3-NH2-pyrazine, 2,5-(HO)2-PhCOOH","","- C11 H9 Br2 N3 O4 -","- C11 H9 Br2 N3 O4 -","- C22 H18 Br4 N6 O8 -","2","1","","Aakeröy, Christer B.; Chopade, Prashant D.; Ganser, Claudia; Rajbanshi, Arbin; Desper, John","Exploring the structural landscape of 2-aminopyrazines via co-crystallizations","CrystEngComm","2012","14","18","5845","","10.1039/c2ce25516b","","","0.71073","MoKα","","0.0602","0.0429","","","0.1163","0.128","","","","","","1.038","","","","has coordinates,has disorder","180416","2020-10-21","18:00:00",""
"7208522","15.5511","0.0006","5.8057","0.0002","16.0859","0.0006","90","","111.075","0.001","90","","1355.17","0.09","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","AR-cc-2c-10 2,6-dibromo-3-aminopyrazine, F5-PhCOOH","","- C11 H4 Br2 F5 N3 O2 -","- C11 H4 Br2 F5 N3 O2 -","- C44 H16 Br8 F20 N12 O8 -","4","1","","Aakeröy, Christer B.; Chopade, Prashant D.; Ganser, Claudia; Rajbanshi, Arbin; Desper, John","Exploring the structural landscape of 2-aminopyrazines via co-crystallizations","CrystEngComm","2012","14","18","5845","","10.1039/c2ce25516b","","","0.71073","MoKα","","0.0319","0.0231","","","0.0542","0.0577","","","","","","1.012","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208523","7.3153","0.0003","10.4607","0.0004","10.8371","0.0004","65.094","0.002","83.688","0.002","89.742","0.002","746.8","0.05","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","P9 2-amino-3,5-dibromopyrazine, 3,5-(NO2)2-PhCOOH","","- C11 H7 Br2 N5 O6 -","- C11 H7 Br2 N5 O6 -","- C22 H14 Br4 N10 O12 -","2","1","","Aakeröy, Christer B.; Chopade, Prashant D.; Ganser, Claudia; Rajbanshi, Arbin; Desper, John","Exploring the structural landscape of 2-aminopyrazines via co-crystallizations","CrystEngComm","2012","14","18","5845","","10.1039/c2ce25516b","","","0.71073","MoKα","","0.0342","0.0262","","","0.0678","0.0716","","","","","","1.056","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208524","5.6663","0.0005","13.2299","0.0011","17.3426","0.0014","90","","93.911","0.004","90","","1297.05","0.19","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","ARcc-2c-7 2-amino-3,5-dibromopyrazine, 2,6-difluorobenzoic acid","","- C11 H7 Br2 F2 N3 O2 -","- C11 H7 Br2 F2 N3 O2 -","- C44 H28 Br8 F8 N12 O8 -","4","1","","Aakeröy, Christer B.; Chopade, Prashant D.; Ganser, Claudia; Rajbanshi, Arbin; Desper, John","Exploring the structural landscape of 2-aminopyrazines via co-crystallizations","CrystEngComm","2012","14","18","5845","","10.1039/c2ce25516b","","","0.71073","MoKα","","0.0605","0.0327","","","0.0653","0.0721","","","","","","1.033","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208525","11.0013","0.0006","14.5518","0.0005","18.9944","0.001","72.26","0.004","82.475","0.004","70.88","0.004","2734.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H32 Cl6 Er4 O22 -","- C51 H32 Cl6 Er4 O22 -","- C102 H64 Cl12 Er8 O44 -","2","1","","Li, Xinfa; Huang, Yuanbiao; Cao, Rong","Two-dimensional decanuclear erbium wheel supported by mixed hemimellitate and 4-chlorobenzoate ligands","CrystEngComm","2012","14","18","6045","","10.1039/c2ce25526j","","","0.71073","MoKα","","0.0526","0.0347","","","0.073","0.0886","","","","","","1.005","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208526","10.5264","0.0013","12.9839","0.0016","14.3384","0.0017","84.637","0.002","69.806","0.002","85.307","0.002","1828.6","0.4","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H42 Cl Cu N7 O7 -","- C34 H42 Cl Cu N7 O7 -","- C68 H84 Cl2 Cu2 N14 O14 -","2","1","","Zhou, Hong; Pan, Zhi-Quan; Ni, Wen-Hao; Wei, Lai; Huang, Qi-Mao","Coordination polymers of polyamine and macrocycles controlled by pyridine-containing arms","CrystEngComm","2012","14","19","6306","","10.1039/c2ce25547b","","","0.71073","MoKα","","0.0748","0.0672","","","0.179","0.1848","","","","","","1.065","","","","has coordinates,has disorder","180416","2020-10-21","18:00:00",""
"7208527","15.033","0.002","8.0189","0.0012","23.103","0.004","90","","99.649","0.008","90","","2745.6","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Bis(4-chloro-anilinium) pentabromocadmate","","","- C18 H21 Br5 Cd Cl3 N3 -","- C18 H21 Br5 Cd Cl3 N3 -","- C72 H84 Br20 Cd4 Cl12 N12 -","4","1","","Cao, Lili; Liu, Zhi; Wang, Tao; Dai, Hongxia; Zhang, Liangmin; Tao, Xutang; Cui, Deliang","Investigation of a new organic/inorganic hybrid crystal tri(p-chloro-anilium) pentabromocadmate(II) by in situ PXRD and FTIR methods: Thermal stability and the route to suppress its decomposition","CrystEngComm","2012","14","18","5795","","10.1039/c2ce25571e","","","0.71073","MoKα","","0.1254","0.0538","","","0.0833","0.1023","","","","","","0.994","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208528","4.498","0.0006","6.1858","0.0008","14.4538","0.0018","90.9386","0.0017","94.9448","0.0017","100.039","0.0013","394.33","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H7 Br Cl N -","- C6 H7 Br Cl N -","- C12 H14 Br2 Cl2 N2 -","2","1","","Cao, Lili; Liu, Zhi; Wang, Tao; Dai, Hongxia; Zhang, Liangmin; Tao, Xutang; Cui, Deliang","Investigation of a new organic/inorganic hybrid crystal tri(p-chloro-anilium) pentabromocadmate(II) by in situ PXRD and FTIR methods: Thermal stability and the route to suppress its decomposition","CrystEngComm","2012","14","18","5795","","10.1039/c2ce25571e","","","0.71073","MoKα","","0.1143","0.0741","","","0.1572","0.1803","","","","","","1.102","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208529","6.087","0.004","7.307","0.003","16.041","0.008","90","","109.98","0.03","90","","670.5","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 N2 O2 -","- C6 H8 N2 O2 -","- C24 H32 N8 O8 -","4","1","","Prohens, Rafel; Portell, Anna; Puigjaner, Cristina; Barbas, Rafael; Alcobé, Xavier; Font-Bardia, Mercè; Tomàs, Salvador","Cooperative induction in double H-bonding donor/acceptor compounds: Chains vs. ribbons","CrystEngComm","2012","14","18","5745","","10.1039/c2ce25576f","","","0.71073","MoKα","","0.0374","0.0344","","","0.092","0.0937","","","","","","1.098","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208530","4.995","0.004","11.203","0.007","14.389","0.008","90","","94.44","0.04","90","","802.8","0.9","105","2","105","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 N2 O2 -","- C8 H10 N2 O2 -","- C32 H40 N8 O8 -","4","1","","Prohens, Rafel; Portell, Anna; Puigjaner, Cristina; Barbas, Rafael; Alcobé, Xavier; Font-Bardia, Mercè; Tomàs, Salvador","Cooperative induction in double H-bonding donor/acceptor compounds: Chains vs. ribbons","CrystEngComm","2012","14","18","5745","","10.1039/c2ce25576f","","","0.71073","MoKα","","0.0758","0.0471","","","0.0884","0.0974","","","","","","1.1","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208531","18.938","0.019","11.841","0.011","4.309","0.006","90","","90","","90","","966.3","1.9","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C12 H10 N2 O2 -","- C12 H10 N2 O2 -","- C48 H40 N8 O8 -","4","0.5","","Prohens, Rafel; Portell, Anna; Puigjaner, Cristina; Barbas, Rafael; Alcobé, Xavier; Font-Bardia, Mercè; Tomàs, Salvador","Cooperative induction in double H-bonding donor/acceptor compounds: Chains vs. ribbons","CrystEngComm","2012","14","18","5745","","10.1039/c2ce25576f","","","0.71073","MoKα","","0.1362","0.0764","","","0.1836","0.21","","","","","","1.18","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208532","7.619","0.014","7.888","0.011","8.147","0.009","65.33","0.09","66.81","0.08","72.58","0.1","403.6","1.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H9 N O3 -","- C7 H9 N O3 -","- C14 H18 N2 O6 -","2","1","","Prohens, Rafel; Portell, Anna; Puigjaner, Cristina; Barbas, Rafael; Alcobé, Xavier; Font-Bardia, Mercè; Tomàs, Salvador","Cooperative induction in double H-bonding donor/acceptor compounds: Chains vs. ribbons","CrystEngComm","2012","14","18","5745","","10.1039/c2ce25576f","","","0.71073","MoKα","","0.1378","0.0746","","","0.1674","0.191","","","","","","1.134","","","","has coordinates,has disorder","180416","2020-10-21","18:00:00",""
"7208533","15.8517","0.0005","11.2658","0.0004","34.8339","0.0009","90","","90","","90","","6220.7","0.3","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C64 H44 N8 O16 Zn2 -","- C64 H44 N8 O16 Zn2 -","- C256 H176 N32 O64 Zn8 -","4","1","","Sun, Gong-ming; Huang, Hai-xiao; Tian, Xiao-zhao; Song, Yu-mei; Zhu, Yan; Yuan, Zi-jun; Xu, Wen-yuan; Luo, Ming-biao; Liu, Shu-juan; Feng, Xue-feng; Luo, Feng","Carboxylate-assisted acylamide metal‒organic frameworks: synthesis, structure, thermostability and luminescence studies","CrystEngComm","2012","14","19","6182","","10.1039/c2ce25602a","","","0.71073","MoKα","","0.0925","0.0671","","","0.1621","0.1824","","","","","","0.983","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208534","10.9501","0.0004","20.6804","0.0009","21.8474","0.0009","90","","94.217","0.002","90","","4934","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49.5 H40.5 N6.5 O12.5 Zn2 -","- C49.5 H40.5 N6.5 O12.5 Zn2 -","- C198 H162 N26 O50 Zn8 -","4","1","","Sun, Gong-ming; Huang, Hai-xiao; Tian, Xiao-zhao; Song, Yu-mei; Zhu, Yan; Yuan, Zi-jun; Xu, Wen-yuan; Luo, Ming-biao; Liu, Shu-juan; Feng, Xue-feng; Luo, Feng","Carboxylate-assisted acylamide metal‒organic frameworks: synthesis, structure, thermostability and luminescence studies","CrystEngComm","2012","14","19","6182","","10.1039/c2ce25602a","","","0.71073","MoKα","","0.0775","0.0572","","","0.1298","0.1448","","","","","","1.124","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7208535","10.1561","0.0006","10.2773","0.0006","14.489","0.0009","85.432","0.004","72.012","0.003","83.56","0.003","1427.7","0.15","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 Cd N4 O11 -","- C26 H20 Cd N4 O11 -","- C52 H40 Cd2 N8 O22 -","2","1","","Sun, Gong-ming; Huang, Hai-xiao; Tian, Xiao-zhao; Song, Yu-mei; Zhu, Yan; Yuan, Zi-jun; Xu, Wen-yuan; Luo, Ming-biao; Liu, Shu-juan; Feng, Xue-feng; Luo, Feng","Carboxylate-assisted acylamide metal‒organic frameworks: synthesis, structure, thermostability and luminescence studies","CrystEngComm","2012","14","19","6182","","10.1039/c2ce25602a","","","0.71073","MoKα","","0.0381","0.0317","","","0.0768","0.0793","","","","","","1.049","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208536","8.2505","0.0009","30.086","0.003","10.3031","0.0011","90","","99.913","0.001","90","","2519.3","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Cd N4 O8 -","- C26 H20 Cd N4 O8 -","- C104 H80 Cd4 N16 O32 -","4","1","","Sun, Gong-ming; Huang, Hai-xiao; Tian, Xiao-zhao; Song, Yu-mei; Zhu, Yan; Yuan, Zi-jun; Xu, Wen-yuan; Luo, Ming-biao; Liu, Shu-juan; Feng, Xue-feng; Luo, Feng","Carboxylate-assisted acylamide metal‒organic frameworks: synthesis, structure, thermostability and luminescence studies","CrystEngComm","2012","14","19","6182","","10.1039/c2ce25602a","","","0.71073","MoKα","","0.0393","0.0377","","","0.0865","0.0875","","","","","","1.248","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208537","8.9846","0.0005","22.9562","0.0011","24.0229","0.0012","90","","90","","90","","4954.8","0.4","123","2","123","2","","","","","","","","6","C c c m","-C 2 2c","66","","","","- C31 H46 Fe N8 O8 S2 -","- C31 H24 Fe N8 O8 S2 -","- C124 H96 Fe4 N32 O32 S8 -","4","0.25","","Yu, Fan; Li, Bao","Two novel high-dimensional iron(ii) coordination polymers modeled by semi-rigid tetrapyridines","CrystEngComm","2012","14","18","6049","","10.1039/c2ce25607j","","","0.71073","MoKα","","0.0668","0.0459","","","0.1213","0.127","","","","","","0.913","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208538","16.5531","0.0009","11.7181","0.0007","17.4935","0.0008","90","","103.372","0.005","90","","3301.2","0.3","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H32 Fe N6 O6 S2 -","- C29 H30 Fe N6 O6 S2 -","- C116 H120 Fe4 N24 O24 S8 -","4","0.5","","Yu, Fan; Li, Bao","Two novel high-dimensional iron(ii) coordination polymers modeled by semi-rigid tetrapyridines","CrystEngComm","2012","14","18","6049","","10.1039/c2ce25607j","","","0.71073","MoKα","","0.0396","0.0312","","","0.0816","0.0843","","","","","","1.051","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208539","46.8185","0.0015","46.8185","0.0015","9.4253","0.0003","90","","90","","120","","17892.1","1","150","2","150","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C10 H47.66667 Cl4 N11 O25.33333 Pd Pt -","- C10 H29 Cl4 N11 O25.3333 Pd Pt -","- C180 H522 Cl72 N198 O456 Pd18 Pt18 -","18","1","","Albertí, Francisca M.; Mihály, Tímea; Lippert, Bernhard; Miguel, Pablo J. Sanz","Unsupported single-walled water cluster nanotube: A novel hydrogen bonding pattern for water organization","CrystEngComm","2012","14","19","6178","","10.1039/c2ce25647a","","","0.71073","MoKα","","0.1222","0.054","","","0.119","0.128","","","","","","0.981","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7208540","23.2241","0.0018","15.7921","0.0007","20.0361","0.0011","90","","102.581","0.006","90","","7171.9","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C92 H70 Mn N6 O8 -","- C92 H70 Mn N6 O8 -","- C368 H280 Mn4 N24 O32 -","4","1","","Liu, Ying-Ying; Chen, Chun; Ma, Jian-Fang; Yang, Jin","A series of complexes constructed by different calix[4]arene derivatives","CrystEngComm","2012","14","19","6201","","10.1039/c2ce25650a","","","0.71073","MoKα","","0.1332","0.0652","","","0.1738","0.1923","","","","","","0.929","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208541","23.155","0.004","15.844","0.005","20.126","0.006","90","","102.761","0.005","90","","7201","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C92 H70 Cd N6 O8 -","- C92 H70 Cd N6 O8 -","- C368 H280 Cd4 N24 O32 -","4","1","","Liu, Ying-Ying; Chen, Chun; Ma, Jian-Fang; Yang, Jin","A series of complexes constructed by different calix[4]arene derivatives","CrystEngComm","2012","14","19","6201","","10.1039/c2ce25650a","","","1.54184","CuKα","","0.0883","0.0613","","","0.1513","0.1654","","","","","","0.932","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208542","15.277","0.003","22.74","0.003","21.277","0.003","90","","93.441","0.014","90","","7378","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C92 H70 N6 Ni O8 -","- C92 H70 N6 Ni O8 -","- C368 H280 N24 Ni4 O32 -","4","1","","Liu, Ying-Ying; Chen, Chun; Ma, Jian-Fang; Yang, Jin","A series of complexes constructed by different calix[4]arene derivatives","CrystEngComm","2012","14","19","6201","","10.1039/c2ce25650a","","","1.54184","CuKα","","0.2101","0.0867","","","0.2079","0.2524","","","","","","0.991","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208543","17.132","0.0004","17.132","0.0004","29.2524","0.0009","90","","90","","120","","7435.5","0.3","293","2","293","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C120 H94 Co N6 O12 -","- C120 H94.02 Co N6 O12 -","- C360 H282.06 Co3 N18 O36 -","3","0.333333","","Liu, Ying-Ying; Chen, Chun; Ma, Jian-Fang; Yang, Jin","A series of complexes constructed by different calix[4]arene derivatives","CrystEngComm","2012","14","19","6201","","10.1039/c2ce25650a","","","0.71073","MoKα","","0.1256","0.0941","","","0.2323","0.2411","","","","","","1.198","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208544","18.392","0.0003","18.966","0.0003","15.866","0.0003","90","","90","","90","","5534.42","0.16","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C62 H74 Co N6 O10 -","- C62 H74 Co N6 O10 -","- C248 H296 Co4 N24 O40 -","4","0.5","","Liu, Ying-Ying; Chen, Chun; Ma, Jian-Fang; Yang, Jin","A series of complexes constructed by different calix[4]arene derivatives","CrystEngComm","2012","14","19","6201","","10.1039/c2ce25650a","","","0.71069","MoKα","","0.0761","0.0395","","","0.1093","0.1156","","","","","","0.881","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208545","16.772","0.004","17.601","0.003","19.969","0.005","90","","91.723","0.005","90","","5892","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C130 H140 N12 O17 Zn2 -","- C130 H114 N12 O17 Zn2 -","- C260 H228 N24 O34 Zn4 -","2","0.5","","Liu, Ying-Ying; Chen, Chun; Ma, Jian-Fang; Yang, Jin","A series of complexes constructed by different calix[4]arene derivatives","CrystEngComm","2012","14","19","6201","","10.1039/c2ce25650a","","","0.71069","MoKα","","0.1758","0.0666","","","0.1612","0.1846","","","","","","0.812","","","","has coordinates,has disorder","180416","2020-10-21","18:00:00",""
"7208546","14.767","0.003","17.448","0.004","17.88","0.008","116.355","0.004","96.267","0.003","102.994","0.005","3905","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C154 H146 N4 Na6 O59 Zn6 -","- C154 H136 N4 Na6 O59 Zn6 -","- C154 H136 N4 Na6 O59 Zn6 -","1","0.5","","Liu, Ying-Ying; Chen, Chun; Ma, Jian-Fang; Yang, Jin","A series of complexes constructed by different calix[4]arene derivatives","CrystEngComm","2012","14","19","6201","","10.1039/c2ce25650a","","","0.71069","MoKα","","0.0928","0.0448","","","0.1046","0.1124","","","","","","0.844","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208547","14.772","0.005","17.442","0.004","17.887","0.006","115.964","0.002","96.529","0.007","103.069","0.005","3915","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C152 H144 N6 Na6 O59 Zn6 -","- C152 H130 N6 Na6 O59 Zn6 -","- C152 H130 N6 Na6 O59 Zn6 -","1","0.5","","Liu, Ying-Ying; Chen, Chun; Ma, Jian-Fang; Yang, Jin","A series of complexes constructed by different calix[4]arene derivatives","CrystEngComm","2012","14","19","6201","","10.1039/c2ce25650a","","","0.71069","MoKα","","0.0599","0.0399","","","0.1066","0.1109","","","","","","0.921","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208548","10.788","0.003","18.229","0.006","21.761","0.007","90","","98.766","0.004","90","","4229","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H84 Co4 Na2 O39 -","- C72 H74 Co4 Na2 O39 -","- C144 H148 Co8 Na4 O78 -","2","0.5","","Liu, Ying-Ying; Chen, Chun; Ma, Jian-Fang; Yang, Jin","A series of complexes constructed by different calix[4]arene derivatives","CrystEngComm","2012","14","19","6201","","10.1039/c2ce25650a","","","0.71069","MoKα","","0.0758","0.0475","","","0.1418","0.1507","","","","","","0.96","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208549","9.724","0.003","18.516","0.005","17.637","0.006","90","","99.769","0.005","90","","3129.5","1.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H56 Cu3 Na2 O24 -","- C72 H56 Cu3 Na2 O24 -","- C144 H112 Cu6 Na4 O48 -","2","0.5","","Liu, Ying-Ying; Chen, Chun; Ma, Jian-Fang; Yang, Jin","A series of complexes constructed by different calix[4]arene derivatives","CrystEngComm","2012","14","19","6201","","10.1039/c2ce25650a","","","0.71069","MoKα","","0.0758","0.0376","","","0.0785","0.0829","","","","","","0.821","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208550","53.477","0.0008","10.565","0.0003","38.155","0.0013","90","","95.734","0.002","90","","21449.1","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C208 H264 Cu7 Na4 O61 -","- C208 H256 Cu7 Na4 O61 -","- C832 H1024 Cu28 Na16 O244 -","4","0.5","","Liu, Ying-Ying; Chen, Chun; Ma, Jian-Fang; Yang, Jin","A series of complexes constructed by different calix[4]arene derivatives","CrystEngComm","2012","14","19","6201","","10.1039/c2ce25650a","","","0.71069","MoKα","","0.1118","0.0486","","","0.0946","0.1011","","","","","","0.864","","","","has coordinates,has disorder","180416","2020-10-21","18:00:00",""
"7208551","24.2387","0.0006","25.4087","0.0007","18.6362","0.0005","90","","97.552","0.002","90","","11378","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H67 Na O16 Zn2 -","- C52 H39 Na O16 Zn2 -","- C416 H312 Na8 O128 Zn16 -","8","1","","Liu, Ying-Ying; Chen, Chun; Ma, Jian-Fang; Yang, Jin","A series of complexes constructed by different calix[4]arene derivatives","CrystEngComm","2012","14","19","6201","","10.1039/c2ce25650a","","","0.71073","MoKα","","0.135","0.0619","","","0.1593","0.177","","","","","","0.823","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208552","10.957","0.005","12.644","0.004","21.49","0.003","86.158","0.004","82.931","0.006","67.84","0.007","2735.7","1.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C104 H122 Na2 O26 Pb4 -","- C104 H84 Na2 O26 Pb4 -","- C104 H84 Na2 O26 Pb4 -","1","0.5","","Liu, Ying-Ying; Chen, Chun; Ma, Jian-Fang; Yang, Jin","A series of complexes constructed by different calix[4]arene derivatives","CrystEngComm","2012","14","19","6201","","10.1039/c2ce25650a","","","0.71069","MoKα","","0.1052","0.0588","","","0.1377","0.1471","","","","","","0.908","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208553","5.7447","0.0001","16.4119","0.0002","32.229","0.0005","90","","90","","90","","3038.6","0.08","180","2","180","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","methyldiphenylphosphine:1,4-diiodotetrafluorobenzene 2/1","methyldiphenylphosphine:1,4-diiodotetrafluorobenzene 2/1","","- C32 H26 F4 I2 O2 P2 -","- C32 H26 F4 I2 O2 P2 -","- C128 H104 F16 I8 O8 P8 -","4","0.5","","Oh, Se Ye; Nickels, Christopher W.; Garcia, Felipe; Jones, William; Friščić, Tomislav","Switching between halogen- and hydrogen-bonding in stoichiometric variations of a cocrystal of a phosphine oxide","CrystEngComm","2012","14","19","6110","","10.1039/c2ce25653c","","","0.71073","MoKα","","0.0418","0.0294","","","0.063","0.0657","","","","","","1.078","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208554","9.444","0.0003","10.8391","0.0004","11.7728","0.0004","111.084","0.002","110.207","0.002","97.956","0.002","1006.63","0.07","180","2","180","2","","","","","","","","6","P -1","-P 1","2","methyldiphenylphosphine oxide","methyldiphenylphosphine oxide: 1,4-diiodotetrafluorobenzene 1/1","","- C19 H13 F4 I2 O P -","- C19 H13 F4 I2 O P -","- C38 H26 F8 I4 O2 P2 -","2","1","","Oh, Se Ye; Nickels, Christopher W.; Garcia, Felipe; Jones, William; Friščić, Tomislav","Switching between halogen- and hydrogen-bonding in stoichiometric variations of a cocrystal of a phosphine oxide","CrystEngComm","2012","14","19","6110","","10.1039/c2ce25653c","","","0.71073","MoKα","","0.0447","0.0338","","","0.0819","0.0892","","","","","","1.039","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208555","5.7074","0.0001","16.4007","0.0002","31.869","0.0005","90","","90","","90","","2983.11","0.08","180","2","180","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","methyldiphenylphosphine oxide","methyldiphenylphosphine oxide: 1,4-dibromotetrafluorobenzene 2/1","","- C32 H26 Br2 F4 O2 P2 -","- C32 H26 Br2 F4 O2 P2 -","- C128 H104 Br8 F16 O8 P8 -","4","0.5","","Oh, Se Ye; Nickels, Christopher W.; Garcia, Felipe; Jones, William; Friščić, Tomislav","Switching between halogen- and hydrogen-bonding in stoichiometric variations of a cocrystal of a phosphine oxide","CrystEngComm","2012","14","19","6110","","10.1039/c2ce25653c","","","0.71073","MoKα","","0.0419","0.0327","","","0.0718","0.0754","","","","","","1.063","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208556","6.2187","0.0003","11.6168","0.0007","5.7876","0.0005","90","","93.61","0.03","90","","417.27","0.05","180","2","180","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","1,4-diiodotetrafluorobenzene","1,4-diiodotetrafluorobenzene","","- C6 F4 I2 -","- C6 F4 I2 -","- C12 F8 I4 -","2","0.5","","Oh, Se Ye; Nickels, Christopher W.; Garcia, Felipe; Jones, William; Friščić, Tomislav","Switching between halogen- and hydrogen-bonding in stoichiometric variations of a cocrystal of a phosphine oxide","CrystEngComm","2012","14","19","6110","","10.1039/c2ce25653c","","","0.71073","MoKα","","0.0393","0.0313","","","0.0773","0.083","","","","","","1.048","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208557","11.5465","0.0002","5.834","0.0001","24.7421","0.0005","90","","91.269","0.001","90","","1666.28","0.05","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(mdppo)2(ofib)","","","- C30 H26 F8 I2 O2 P2 -","- C30 H26 F8 I2 O2 P2 -","- C60 H52 F16 I4 O4 P4 -","2","0.5","","Oh, Se Ye; Nickels, Christopher W.; Garcia, Felipe; Jones, William; Friščić, Tomislav","Switching between halogen- and hydrogen-bonding in stoichiometric variations of a cocrystal of a phosphine oxide","CrystEngComm","2012","14","19","6110","","10.1039/c2ce25653c","","","0.71073","MoKα","","0.0514","0.0255","","","0.0463","0.0474","","","","","","0.849","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208558","9.6579","0.0016","10.1549","0.0018","10.6914","0.0016","106.576","0.002","107.444","0.003","110.66","0.004","841.4","0.2","293.15","","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H17 Eu N2 O9 -","- C14 H17 Eu N2 O9 -","- C28 H34 Eu2 N4 O18 -","2","1","","Ma, Jie; Jiang, Fei-Long; Chen, Lian; Wu, Ming-Yan; Zhang, Shu-Quan; Xiong, Ke-cai; Han, Dong; Hong, Mao-Chun","Structure and photoluminescent properties of lanthanide coordination polymers based on two isomers of iminodiacetic acid substituted isophthalate and terephthalate ligands","CrystEngComm","2012","14","18","6055","","10.1039/c2ce25655j","","","0.71073","MoKα","","0.0287","0.028","","","0.0677","0.0685","","","","","","1.049","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208559","9.642","0.006","10.142","0.007","10.654","0.007","106.388","0.006","107.72","0.005","110.452","0.002","837.1","1","293.15","","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H17 N2 O9 Tb -","- C14 H13 N2 O9 Tb -","- C28 H26 N4 O18 Tb2 -","2","1","","Ma, Jie; Jiang, Fei-Long; Chen, Lian; Wu, Ming-Yan; Zhang, Shu-Quan; Xiong, Ke-cai; Han, Dong; Hong, Mao-Chun","Structure and photoluminescent properties of lanthanide coordination polymers based on two isomers of iminodiacetic acid substituted isophthalate and terephthalate ligands","CrystEngComm","2012","14","18","6055","","10.1039/c2ce25655j","","","0.71073","MoKα","","0.0416","0.0363","","","0.0806","0.0841","","","","","","1.038","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208560","9.63","0.003","10.182","0.003","10.687","0.003","106.573","0.003","107.2","","110.615","0.002","843.4","0.4","293.15","","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H17 N2 O9 Sm -","- C14 H13 N2 O9 Sm -","- C28 H26 N4 O18 Sm2 -","2","1","","Ma, Jie; Jiang, Fei-Long; Chen, Lian; Wu, Ming-Yan; Zhang, Shu-Quan; Xiong, Ke-cai; Han, Dong; Hong, Mao-Chun","Structure and photoluminescent properties of lanthanide coordination polymers based on two isomers of iminodiacetic acid substituted isophthalate and terephthalate ligands","CrystEngComm","2012","14","18","6055","","10.1039/c2ce25655j","","","0.71073","MoKα","","0.0332","0.0302","","","0.0766","0.0806","","","","","","1.003","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208561","21.6024","0.0008","21.6024","0.0008","11.3824","0.0008","90","","90","","90","","5311.8","0.5","293.15","","293.15","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C12 H11 Eu N O9.5 -","- C12 H8 Eu N O8.5 -","- C192 H128 Eu16 N16 O136 -","16","1","","Ma, Jie; Jiang, Fei-Long; Chen, Lian; Wu, Ming-Yan; Zhang, Shu-Quan; Xiong, Ke-cai; Han, Dong; Hong, Mao-Chun","Structure and photoluminescent properties of lanthanide coordination polymers based on two isomers of iminodiacetic acid substituted isophthalate and terephthalate ligands","CrystEngComm","2012","14","18","6055","","10.1039/c2ce25655j","","","0.71073","MoKα","","0.0304","0.027","","","0.0593","0.0614","","","","","","1.065","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7208562","21.4229","0.0006","21.4229","0.0006","11.3047","0.0006","90","","90","","90","","5188.2","0.3","293.15","","293.15","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C12 H11 N O9.5 Tb -","- C12 H8 N O8.5 Tb -","- C192 H128 N16 O136 Tb16 -","16","1","","Ma, Jie; Jiang, Fei-Long; Chen, Lian; Wu, Ming-Yan; Zhang, Shu-Quan; Xiong, Ke-cai; Han, Dong; Hong, Mao-Chun","Structure and photoluminescent properties of lanthanide coordination polymers based on two isomers of iminodiacetic acid substituted isophthalate and terephthalate ligands","CrystEngComm","2012","14","18","6055","","10.1039/c2ce25655j","","","0.71073","MoKα","","0.0315","0.027","","","0.0613","0.0641","","","","","","1.015","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7208563","21.5765","0.0004","21.5765","0.0004","11.3469","0.0004","90","","90","","90","","5282.5","0.2","293.15","","293.15","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C12 H11 N O9.5 Sm -","- C12 H8 N O8.5 Sm -","- C192 H128 N16 O136 Sm16 -","16","1","","Ma, Jie; Jiang, Fei-Long; Chen, Lian; Wu, Ming-Yan; Zhang, Shu-Quan; Xiong, Ke-cai; Han, Dong; Hong, Mao-Chun","Structure and photoluminescent properties of lanthanide coordination polymers based on two isomers of iminodiacetic acid substituted isophthalate and terephthalate ligands","CrystEngComm","2012","14","18","6055","","10.1039/c2ce25655j","","","0.71073","MoKα","","0.0204","0.0178","","","0.0482","0.0494","","","","","","1.036","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7208564","9.762","0.002","13.486","0.003","16.804","0.003","90","","100.04","0.03","90","","2178.4","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 Cd N4 O4 -","- C26 H18 Cd N4 O4 -","- C104 H72 Cd4 N16 O16 -","4","1","","Cheng, Hong-Jian; Li, Hong-Xi; Ren, Zhi-Gang; Lü, Chun-Ning; Shi, Jing; Lang, Jian-Ping","Substituted groups-directed assembly of Cd(ii) coordination polymers based on 5-R-1,3-benzenedicarboxylate and 4,4'-bis(1-imidazolyl)bibenzene: syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","18","6064","","10.1039/c2ce25677k","","","0.71073","MoKα","","0.0928","0.0608","","","0.1115","0.123","","","","","","1.091","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208565","9.857","0.002","14.011","0.003","16.884","0.003","90","","100.93","0.03","90","","2289.5","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H20 Cd N4 O4 -","- C27 H20 Cd N4 O4 -","- C108 H80 Cd4 N16 O16 -","4","1","","Cheng, Hong-Jian; Li, Hong-Xi; Ren, Zhi-Gang; Lü, Chun-Ning; Shi, Jing; Lang, Jian-Ping","Substituted groups-directed assembly of Cd(ii) coordination polymers based on 5-R-1,3-benzenedicarboxylate and 4,4'-bis(1-imidazolyl)bibenzene: syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","18","6064","","10.1039/c2ce25677k","","","0.71073","MoKα","","0.0882","0.067","","","0.1045","0.1135","","","","","","1.092","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208566","9.5702","0.0019","14.329","0.003","16.631","0.003","90","","98.75","0.03","90","","2254.1","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 Cd N5 O4 -","- C26 H19 Cd N5 O4 -","- C104 H76 Cd4 N20 O16 -","4","1","","Cheng, Hong-Jian; Li, Hong-Xi; Ren, Zhi-Gang; Lü, Chun-Ning; Shi, Jing; Lang, Jian-Ping","Substituted groups-directed assembly of Cd(ii) coordination polymers based on 5-R-1,3-benzenedicarboxylate and 4,4'-bis(1-imidazolyl)bibenzene: syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","18","6064","","10.1039/c2ce25677k","","","0.71073","MoKα","","0.0482","0.0423","","","0.0926","0.0959","","","","","","1.074","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7208567","9.6647","0.0019","14.032","0.003","16.543","0.003","90","","98.79","0.03","90","","2217.1","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 Cd N4 O5 -","- C26 H18 Cd N4 O5 -","- C104 H72 Cd4 N16 O20 -","4","1","","Cheng, Hong-Jian; Li, Hong-Xi; Ren, Zhi-Gang; Lü, Chun-Ning; Shi, Jing; Lang, Jian-Ping","Substituted groups-directed assembly of Cd(ii) coordination polymers based on 5-R-1,3-benzenedicarboxylate and 4,4'-bis(1-imidazolyl)bibenzene: syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","18","6064","","10.1039/c2ce25677k","","","0.71073","MoKα","","0.0407","0.0361","","","0.0863","0.0892","","","","","","1.036","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208568","9.967","0.002","12.179","0.002","15.859","0.003","96.41","0.03","96.96","0.03","104.19","0.03","1832.5","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H28 Cd2 N6 O16 -","- C34 H28 Cd2 N6 O16 -","- C68 H56 Cd4 N12 O32 -","2","1","","Cheng, Hong-Jian; Li, Hong-Xi; Ren, Zhi-Gang; Lü, Chun-Ning; Shi, Jing; Lang, Jian-Ping","Substituted groups-directed assembly of Cd(ii) coordination polymers based on 5-R-1,3-benzenedicarboxylate and 4,4'-bis(1-imidazolyl)bibenzene: syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","18","6064","","10.1039/c2ce25677k","","","0.71073","MoKα","","0.0593","0.0412","","","0.0918","0.104","","","","","","1.069","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208569","29.425","0.006","9.4342","0.0019","20.233","0.004","90","","123.71","0.03","90","","4672","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 Cd N4 O7 S -","- C26 H18 Cd N4 O7 S -","- C208 H144 Cd8 N32 O56 S8 -","8","1","","Cheng, Hong-Jian; Li, Hong-Xi; Ren, Zhi-Gang; Lü, Chun-Ning; Shi, Jing; Lang, Jian-Ping","Substituted groups-directed assembly of Cd(ii) coordination polymers based on 5-R-1,3-benzenedicarboxylate and 4,4'-bis(1-imidazolyl)bibenzene: syntheses, structures and photoluminescent properties","CrystEngComm","2012","14","18","6064","","10.1039/c2ce25677k","","","0.71073","MoKα","","0.0473","0.0388","","","0.0858","0.0899","","","","","","1.103","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208570","15.771","0.002","14.711","0.002","8.3852","0.0012","90","","102.485","0.002","90","","1899.4","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 Co2 N4 O10 -","- C30 H30 Co2 N4 O10 -","- C60 H60 Co4 N8 O20 -","2","0.5","","Li, Xiao-Ling; Liu, Guang-Zhen; Xin, Ling-Yun; Wang, Li-Ya","A novel metal‒organic framework displaying reversibly shrinking and expanding pore modulation","CrystEngComm","2012","14","18","5757","","10.1039/c2ce25715g","","","0.71073","MoKα","","0.0418","0.0339","","","0.0931","0.0968","","","","","","1.091","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208571","14.36","0.02","14.75","0.02","8.276","0.013","90","","99.746","0.019","90","","1728","4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 Co2 N4 O10 -","- C30 H30 Co2 N4 O10 -","- C60 H60 Co4 N8 O20 -","2","0.5","","Li, Xiao-Ling; Liu, Guang-Zhen; Xin, Ling-Yun; Wang, Li-Ya","A novel metal‒organic framework displaying reversibly shrinking and expanding pore modulation","CrystEngComm","2012","14","18","5757","","10.1039/c2ce25715g","","","0.71073","MoKα","","0.1424","0.0804","","","0.1734","0.1915","","","","","","1.04","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208572","4.4592","0.0005","15.3668","0.0011","13.3336","0.0012","90","","90.602","0.008","90","","913.62","0.15","150","2","150","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C19 H17 N3 O7 -","- C19 H17 N3 O7 -","- C38 H34 N6 O14 -","2","1","","Chen, Jia-Mei; Wang, Zi-Zhou; Wu, Chuan-Bin; Li, Song; Lu, Tong-Bu","Crystal engineering approach to improve the solubility of mebendazole","CrystEngComm","2012","14","19","6221","","10.1039/c2ce25724f","","","1.5418","CuKα","","0.0433","0.0364","","","0.0787","0.0834","","","","","","1.024","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208573","8.3845","0.0003","8.9098","0.0004","13.2841","0.0007","83.81","0.004","80.223","0.004","84.612","0.003","969.37","0.08","150","2","150","2","","","","","","","","4","P 1","P 1","1","","","","- C20 H17 N3 O7 -","- C20 H17 N3 O7 -","- C40 H34 N6 O14 -","2","2","","Chen, Jia-Mei; Wang, Zi-Zhou; Wu, Chuan-Bin; Li, Song; Lu, Tong-Bu","Crystal engineering approach to improve the solubility of mebendazole","CrystEngComm","2012","14","19","6221","","10.1039/c2ce25724f","","","1.54178","CuKα","","0.0429","0.0378","","","0.1041","0.1161","","","","","","1.114","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208574","6.2151","0.0003","10.7634","0.0008","15.0123","0.0009","85.26","0.005","87.897","0.005","81.635","0.005","989.86","0.11","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H21 N3 O7 -","- C21 H21 N3 O7 -","- C42 H42 N6 O14 -","2","1","","Chen, Jia-Mei; Wang, Zi-Zhou; Wu, Chuan-Bin; Li, Song; Lu, Tong-Bu","Crystal engineering approach to improve the solubility of mebendazole","CrystEngComm","2012","14","19","6221","","10.1039/c2ce25724f","","","1.54184","CuKα","","0.0507","0.0398","","","0.0985","0.1077","","","","","","1.029","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208575","10.0239","0.0003","10.0797","0.0003","23.5726","0.0007","77.713","0.002","79.766","0.002","88.768","0.002","2289.82","0.12","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H31.5 N6 O26.5 P6 Zn5 -","- C30 H31.5 N6 O26.5 P6 Zn5 -","- C60 H63 N12 O53 P12 Zn10 -","2","1","","Xu, Wen-yuan; Tian, Xiao-zhao; Sun, Gong-ming; Song, Yu-mei; Huang, Hai-xiao; Zhu, Yan; Yuan, Zi-zun; Feng, Xue-feng; Luo, Ming-biao; Liu, Shu-juan; Luo, Feng","[Zn5(PO4)(HPO4)4(Hbpy)2(bpy)][H2PO4]·H2O: a novel inorganic‒organic metal-phosphate framework showing an unprecedented (3,4)-connected (4·62)6(4·62·103)2(64·102)2 topology and the coexistence of various phosphates","CrystEngComm","2012","14","18","5730","","10.1039/c2ce25730k","","","0.71073","MoKα","","0.0576","0.0527","","","0.1118","0.1142","","","","","","1.149","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208576","15.158","0.005","12.517","0.004","7.44","0.002","90","","93.12","0.03","90","","1409.5","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H13 Cd Cl2 N O6 -","- C9 H13 Cd Cl2 N O6 -","- C36 H52 Cd4 Cl8 N4 O24 -","4","1","","Cai, Li-Zhen; Wang, Ming-Sheng; Zhang, Ming-Jian; Wang, Guan-E; Guo, Guo-Cong; Huang, Jin-Shun","Fluorescent cadmium complexes based on N-succinopyridine ligand: syntheses, structures and tunable photoluminescence by variation of excitation light","CrystEngComm","2012","14","19","6196","","10.1039/c2ce25755f","","","0.71073","MoKα","","0.0517","0.0413","","","0.1009","0.1071","","","","","","1","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208577","8.012","0.002","12.51","0.006","14.753","0.006","90","","90","","90","","1478.7","1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H13 Br2 Cd N O6 -","- C9 H13 Br2 Cd N O6 -","- C36 H52 Br8 Cd4 N4 O24 -","4","1","","Cai, Li-Zhen; Wang, Ming-Sheng; Zhang, Ming-Jian; Wang, Guan-E; Guo, Guo-Cong; Huang, Jin-Shun","Fluorescent cadmium complexes based on N-succinopyridine ligand: syntheses, structures and tunable photoluminescence by variation of excitation light","CrystEngComm","2012","14","19","6196","","10.1039/c2ce25755f","","","0.71073","MoKα","","0.0832","0.0605","","","0.124","0.1401","","","","","","1.026","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208578","7.763","0.002","12.938","0.005","17.221","0.007","72.48","0.02","87.107","0.016","86.201","0.017","1644.9","1","298","2","298","2","","","","","","","","6","P -1","-P 1","2","chlortalidone Form IV","2-chloro-5-(1-hydroxy-3-oxo-1-isoindolinyl) benzenesulfonamide chloroform solvate","","- C57 H45 Cl7 N8 O16 S4 -","- C57 H45 Cl7 N8 O16 S4 -","- C57 H45 Cl7 N8 O16 S4 -","1","0.5","","Martins, Felipe T.; de abreu, Polyana J.; Azarias, Lilian C.; Villis, Paulo C. M.; de Campos Melo, Ariane C.; Ellena, Javier; Doriguetto, Antônio C.","Form III-like conformation and Form I-like packing in a chloroform channel solvate of the diuretic drug chlortalidone","CrystEngComm","2012","14","19","6173","","10.1039/c2ce25766a","","","0.71073","MoKα","","0.1793","0.0659","","","0.1306","0.1536","","","","","","1.04","","","","has coordinates,has disorder","180416","2020-10-21","18:00:00",""
"7208579","8.964","0.007","30.082","0.005","9.428","0.006","90","","115.94","0.05","90","","2286","3","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","Perphenazine fumarate","","","- C23 H28 Cl N3 O3 S -","- C23 H28 Cl N3 O3 S -","- C92 H112 Cl4 N12 O12 S4 -","4","1","","Bruni, Giovanna; Maietta, Mariarosa; Maggi, Lauretta; Bini, Marcella; Capsoni, Doretta; Ferrari, Stefania; Boiocchi, Massimo; Berbenni, Vittorio; Milanese, Chiara; Marini, Amedeo","Perphenazine‒fumaric acid salts with improved solubility: preparation, physico-chemical characterization and in vitro dissolution","CrystEngComm","2012","14","18","6035","","10.1039/c2ce25846c","","","0.71073","MoKα","","0.1151","0.0844","","","0.2414","0.2664","","","","","","1.084","","","","has coordinates,has disorder","180416","2020-10-21","18:00:00",""
"7208580","7.138","0.003","21.173","0.009","8.531","0.004","90","","98.715","0.007","90","","1274.4","1","153","","153","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 N2 O4 -","- C13 H16 N2 O4 -","- C52 H64 N8 O16 -","4","1","","Kawai, Hidetoshi; Hosoda, Daisuke","Assembly of robust two-dimensional sheet structures from crystalline ring-fused malonamides via cooperative hydrogen bonding of amide groups","CrystEngComm","2012","14","18","5717","","10.1039/c2ce26003d","","","0.7107","MoKα","","","0.0753","","","","0.2018","","","","","","1.002","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208581","18.328","0.005","6.5775","0.0014","22.617","0.006","90","","110.443","0.004","90","","2554.8","1.1","123","","123","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H16 N2 O4 -","- C13 H16 N2 O4 -","- C104 H128 N16 O32 -","8","1","","Kawai, Hidetoshi; Hosoda, Daisuke","Assembly of robust two-dimensional sheet structures from crystalline ring-fused malonamides via cooperative hydrogen bonding of amide groups","CrystEngComm","2012","14","18","5717","","10.1039/c2ce26003d","","","0.7107","MoKα","","","0.048","","","","0.1794","","","","","","1","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208582","10.153","0.006","8.109","0.004","12.906","0.008","90","","110.708","0.006","90","","993.9","1","123","","123","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H12 N2 O2 -","- C11 H12 N2 O2 -","- C44 H48 N8 O8 -","4","1","","Kawai, Hidetoshi; Hosoda, Daisuke","Assembly of robust two-dimensional sheet structures from crystalline ring-fused malonamides via cooperative hydrogen bonding of amide groups","CrystEngComm","2012","14","18","5717","","10.1039/c2ce26003d","","","0.7107","MoKα","","","0.0419","","","","0.1316","","","","","","1.009","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208583","11.91","0.04","7.938","0.005","13.481","0.011","90","","107.32","0.04","90","","1217","4","153","","153","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C60 H56 N8 O8 -","4","1","","Kawai, Hidetoshi; Hosoda, Daisuke","Assembly of robust two-dimensional sheet structures from crystalline ring-fused malonamides via cooperative hydrogen bonding of amide groups","CrystEngComm","2012","14","18","5717","","10.1039/c2ce26003d","","","0.7107","MoKα","","","0.0756","","","","0.213","","","","","","1.04","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208584","11.4332","0.0006","8.6325","0.0005","13.0666","0.0007","90","","109.37","0.001","90","","1216.64","0.12","153","","153","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C60 H56 N8 O8 -","4","1","","Kawai, Hidetoshi; Hosoda, Daisuke","Assembly of robust two-dimensional sheet structures from crystalline ring-fused malonamides via cooperative hydrogen bonding of amide groups","CrystEngComm","2012","14","18","5717","","10.1039/c2ce26003d","","","0.71069","MoKα","","","0.0442","","","","0.1262","","","","","","1.203","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208585","10.5351","0.0016","8.1715","0.0013","14.384","0.003","90","","109.536","0.002","90","","1167","0.4","153","","153","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 I N2 O2 -","- C11 H11 I N2 O2 -","- C44 H44 I4 N8 O8 -","4","1","","Kawai, Hidetoshi; Hosoda, Daisuke","Assembly of robust two-dimensional sheet structures from crystalline ring-fused malonamides via cooperative hydrogen bonding of amide groups","CrystEngComm","2012","14","18","5717","","10.1039/c2ce26003d","","","0.71073","MoKα","","","0.0453","","","","0.1181","","","","","","1.06","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208586","7.6978","0.0016","17.25","0.004","14.089","0.003","90","","93.102","0.003","90","","1868.1","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N2 O7 Zn -","- C19 H18 N2 O7 Zn -","- C76 H72 N8 O28 Zn4 -","4","1","","Liu, Bo; Pang, Ling-Yan; Hou, Lei; Wang, Yao-Yu; Zhang, Yue; Shi, Qi-Zhen","Two solvent-dependent zinc(ii) supramolecular isomers: structure analysis, reversible and nonreversible crystal-to-crystal transformation, highly selective CO2 gas adsorption, and photoluminescence behaviors","CrystEngComm","2012","14","19","6246","","10.1039/c2ce26058a","","","0.71073","MoKα","","0.0593","0.0442","","","0.1211","0.132","","","","","","1.04","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208587","12.8165","0.0015","8.8463","0.001","16.94","0.002","90","","102.31","0.002","90","","1876.5","0.4","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C19.5 H15 N2 O5 Zn -","- C19.5 H12 N2 O5 Zn -","- C78 H48 N8 O20 Zn4 -","4","1","","Liu, Bo; Pang, Ling-Yan; Hou, Lei; Wang, Yao-Yu; Zhang, Yue; Shi, Qi-Zhen","Two solvent-dependent zinc(ii) supramolecular isomers: structure analysis, reversible and nonreversible crystal-to-crystal transformation, highly selective CO2 gas adsorption, and photoluminescence behaviors","CrystEngComm","2012","14","19","6246","","10.1039/c2ce26058a","","","0.71073","MoKα","","0.1","0.0647","","","0.1399","0.1556","","","","","","1.024","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208588","26.54","0.005","26.54","0.005","26.54","0.005","90","","90","","90","","18694","6","173","2","173","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C6 H4 O5 Zn -","- C6 H2 O5 Zn -","- C288 H96 O240 Zn48 -","48","0.25","","Song, Xiaokai; Jeong, Seok; Kim, Dongwook; Lah, Myoung Soo","Transmetalations in two metal‒organic frameworks with different framework flexibilities: Kinetics and core‒shell heterostructure","CrystEngComm","2012","14","18","5753","","10.1039/c2ce26115d","","","0.71069","MoKα","","0.0649","0.0622","","","0.1882","0.1918","","","","","","1.125","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208638","7.5319","0.0008","15.1775","0.0019","15.61","0.002","90","","98.919","0.003","90","","1762.9","0.4","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 N6 O5 -","- C17 H18 N6 O5 -","- C68 H72 N24 O20 -","4","1","","Yan, Yi; Zhao, Weiwen; Bhagavathy, Ganga Viswanathan; Faurie, Alexandre; Wang, Ruiyao; Petitjean, Anne","Double-layered alcohol: controlling the macroscopic organization of small molecules through the self-assembly of their receptors","CrystEngComm","2012","14","19","6118","6120","10.1039/c2ce25486g","","","0.71073","MoKα","","0.0681","0.0405","","","0.0933","0.1084","","","","","","1.038","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208639","17.5387","0.0003","13.3386","0.0002","7.8738","0.0001","90","","99.12","0.001","90","","1818.72","0.05","180","2","180","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C17.5 H15 N6 O7.25 -","- C17.5 H11 N6 O7.25 -","- C70 H44 N24 O29 -","4","0.5","","Yan, Yi; Zhao, Weiwen; Bhagavathy, Ganga Viswanathan; Faurie, Alexandre; Wang, Ruiyao; Petitjean, Anne","Double-layered alcohol: controlling the macroscopic organization of small molecules through the self-assembly of their receptors","CrystEngComm","2012","14","19","6118","6120","10.1039/c2ce25486g","","","0.71073","MoKα","","0.0537","0.0484","","","0.1498","0.1617","","","","","","1.083","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7208640","3.6687","0.0017","9.932","0.005","10.204","0.005","114.093","0.004","98.647","0.005","97.244","0.005","328.2","0.3","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H10 Cu N2 O8 -","- C14 H10 Cu N2 O8 -","- C14 H10 Cu N2 O8 -","1","0.5","","Chen, Xiaocui; Han, Shumin; Wang, Ruiyao","Crystal engineering through charge-assisted hydrogen bonds, multiple C‒H⋯O bonds and π‒π stacking: from (H2bipy)[Cu(ox)2] to (H2bipy)[NaH(ox)2] and (H2bipy)[H2(ox)2] (H2bipy = 4,4′-bipyridin-1,1′-dium; ox = oxalate)","CrystEngComm","2012","14","20","6400","","10.1039/c2ce06516a","","","0.71073","MoKα","","0.0281","0.0262","","","0.0697","0.0712","","","","","","1.141","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208641","3.642","0.0012","9.706","0.003","10.459","0.003","109.23","0.003","100.133","0.003","99.271","0.003","333.96","0.18","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H11 N2 Na O8 -","- C14 H11 N2 Na O8 -","- C14 H11 N2 Na O8 -","1","0.5","","Chen, Xiaocui; Han, Shumin; Wang, Ruiyao","Crystal engineering through charge-assisted hydrogen bonds, multiple C‒H⋯O bonds and π‒π stacking: from (H2bipy)[Cu(ox)2] to (H2bipy)[NaH(ox)2] and (H2bipy)[H2(ox)2] (H2bipy = 4,4′-bipyridin-1,1′-dium; ox = oxalate)","CrystEngComm","2012","14","20","6400","","10.1039/c2ce06516a","","","0.71073","MoKα","","0.0438","0.0354","","","0.0865","0.0931","","","","","","1.094","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208642","3.7117","0.0017","9.871","0.004","10.44","0.007","116.081","0.007","97.186","0.007","97.626","0.005","333.2","0.3","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H12 N2 O8 -","- C14 H12 N2 O8 -","- C14 H12 N2 O8 -","1","0.5","","Chen, Xiaocui; Han, Shumin; Wang, Ruiyao","Crystal engineering through charge-assisted hydrogen bonds, multiple C‒H⋯O bonds and π‒π stacking: from (H2bipy)[Cu(ox)2] to (H2bipy)[NaH(ox)2] and (H2bipy)[H2(ox)2] (H2bipy = 4,4′-bipyridin-1,1′-dium; ox = oxalate)","CrystEngComm","2012","14","20","6400","","10.1039/c2ce06516a","","","0.71073","MoKα","","0.0649","0.0441","","","0.1147","0.1267","","","","","","1.026","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208643","20.376","0.002","13.5114","0.0013","4.39","0.0004","90","","90","","90","","1208.6","0.2","296","2","296","2","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- B7 Li5 O14 Rb2 -","- B7 Li5 O14 Rb2 -","- B28 Li20 O56 Rb8 -","4","0.5","","Yang, Yun; Pan, Shilie; Hou, Xueling; Dong, Xiaoyu; Su, Xin; Yang, Zhihua; Zhang, Min; Zhao, Wenwu; Chen, Zhaohui","Li5Rb2B7O14: a new congruently melting compound with two kinds of B‒O one-dimensional chains and short UV absorption edge","CrystEngComm","2012","14","20","6720","","10.1039/c2ce06742k","","","0.71073","MoKα","","0.0265","0.0248","","","0.0588","0.0592","","","","","","1.069","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208644","14.0268","0.0008","17.7897","0.001","5.0012","0.0003","90","","90","","90","","1247.96","0.12","173","2","173","2","","","","","","","","4","P n n 2","P 2 -2n","34","","","","- C30 H32 N4 O14 -","- C28 H20 N4 O13 -","- C56 H40 N8 O26 -","2","0.5","","Li, Xiao-Yan; Yu, Ke-Ying; Zhao, Xiao-Li; Ma, Ming-Liang; Guo, Fang; Mi, Xian-Qiang; Jiang, Biao; Wen, Ke","Carboxylic acid-derived oxacalix[2]arene[2]pyrazine self-assembles into unprecedented diamondoid networks","CrystEngComm","2012","14","23","7869","","10.1039/c2ce25315a","","","0.71073","MoKα","","0.0574","0.0567","","","0.1639","0.1649","","","","","","1.132","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208645","17.7028","0.0017","13.9075","0.0014","5.009","0.0005","90","","90","","90","","1233.2","0.2","173","2","173","2","","","","","","","","4","P n n 2","P 2 -2n","34","","","","- C22 H14 N4 O9 -","- C22 H14 N4 O9 -","- C44 H28 N8 O18 -","2","0.5","","Li, Xiao-Yan; Yu, Ke-Ying; Zhao, Xiao-Li; Ma, Ming-Liang; Guo, Fang; Mi, Xian-Qiang; Jiang, Biao; Wen, Ke","Carboxylic acid-derived oxacalix[2]arene[2]pyrazine self-assembles into unprecedented diamondoid networks","CrystEngComm","2012","14","23","7869","","10.1039/c2ce25315a","","","0.71073","MoKα","","0.0484","0.0469","","","0.1459","0.1477","","","","","","1.109","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208646","10.5968","0.0004","12.7228","0.0005","13.1435","0.0005","108.784","0.001","93.287","0.001","91.004","0.001","1673.67","0.11","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H27 N7 O8 -","- C37 H27 N7 O8 -","- C74 H54 N14 O16 -","2","1","","Li, Xiao-Yan; Yu, Ke-Ying; Zhao, Xiao-Li; Ma, Ming-Liang; Guo, Fang; Mi, Xian-Qiang; Jiang, Biao; Wen, Ke","Carboxylic acid-derived oxacalix[2]arene[2]pyrazine self-assembles into unprecedented diamondoid networks","CrystEngComm","2012","14","23","7869","","10.1039/c2ce25315a","","","0.71073","MoKα","","0.0625","0.043","","","0.1043","0.1195","","","","","","1.036","","","","has coordinates,has disorder","180417","2020-10-21","18:00:00",""
"7208647","25.1363","0.0018","14.3111","0.0011","15.8025","0.0012","90","","94.313","0.002","90","","5668.5","0.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H24 N4 O10 S2 -","- C26 H24 N4 O10 S2 -","- C208 H192 N32 O80 S16 -","8","1","","Li, Xiao-Yan; Yu, Ke-Ying; Zhao, Xiao-Li; Ma, Ming-Liang; Guo, Fang; Mi, Xian-Qiang; Jiang, Biao; Wen, Ke","Carboxylic acid-derived oxacalix[2]arene[2]pyrazine self-assembles into unprecedented diamondoid networks","CrystEngComm","2012","14","23","7869","","10.1039/c2ce25315a","","","0.71073","MoKα","","0.0638","0.0457","","","0.1077","0.1221","","","","","","1.038","","","","has coordinates,has disorder","180417","2020-10-21","18:00:00",""
"7208648","10.182","0.002","10.773","0.002","20.706","0.004","89.93","0.03","77.78","0.03","62.19","0.03","1950.9","0.9","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H38 Mn2 N6 O12 -","- C38 H38 Mn2 N6 O12 -","- C76 H76 Mn4 N12 O24 -","2","1","","Deng, Zhao-Peng; Zhang, Zhu-Yan; Huo, Li-Hua; Ng, Seik Weng; Zhao, Hui; Gao, Shan","Syntheses, crystal structures and properties of transition metal coordination polymers based on isophthalic acid and flexible bis(pyridyl) ligand with unsymmetrical spacer: influence of metal cations, ligand conformations and coordination modes","CrystEngComm","2012","14","20","6548","","10.1039/c2ce25339a","","","0.71073","MoKα","","0.0703","0.0651","","","0.088","0.125","","","","","","1.071","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208649","9.6544","0.0019","20.825","0.004","10.138","0.002","90","","117.47","0.03","90","","1808.5","0.8","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H17 Co N3 O5 -","- C19 H17 Co N3 O5 -","- C76 H68 Co4 N12 O20 -","4","2","","Deng, Zhao-Peng; Zhang, Zhu-Yan; Huo, Li-Hua; Ng, Seik Weng; Zhao, Hui; Gao, Shan","Syntheses, crystal structures and properties of transition metal coordination polymers based on isophthalic acid and flexible bis(pyridyl) ligand with unsymmetrical spacer: influence of metal cations, ligand conformations and coordination modes","CrystEngComm","2012","14","20","6548","","10.1039/c2ce25339a","","","0.71073","MoKα","","0.1267","0.0715","","","0.132","0.1519","","","","","","1.013","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208650","9.194","0.0018","10.167","0.002","10.905","0.002","114.8","0.03","97.6","0.03","102.1","0.03","876.5","0.4","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H15 N3 O4 Zn -","- C19 H15 N3 O4 Zn -","- C38 H30 N6 O8 Zn2 -","2","1","","Deng, Zhao-Peng; Zhang, Zhu-Yan; Huo, Li-Hua; Ng, Seik Weng; Zhao, Hui; Gao, Shan","Syntheses, crystal structures and properties of transition metal coordination polymers based on isophthalic acid and flexible bis(pyridyl) ligand with unsymmetrical spacer: influence of metal cations, ligand conformations and coordination modes","CrystEngComm","2012","14","20","6548","","10.1039/c2ce25339a","","","0.71073","MoKα","","0.0482","0.0384","","","0.0905","0.109","","","","","","1.082","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208651","12.055","0.002","13.112","0.003","16.94","0.003","90","","107.21","0.03","90","","2557.7","0.9","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H19 Cd2 N3 O8 -","- C27 H19 Cd2 N3 O8 -","- C108 H76 Cd8 N12 O32 -","4","1","","Deng, Zhao-Peng; Zhang, Zhu-Yan; Huo, Li-Hua; Ng, Seik Weng; Zhao, Hui; Gao, Shan","Syntheses, crystal structures and properties of transition metal coordination polymers based on isophthalic acid and flexible bis(pyridyl) ligand with unsymmetrical spacer: influence of metal cations, ligand conformations and coordination modes","CrystEngComm","2012","14","20","6548","","10.1039/c2ce25339a","","","0.71073","MoKα","","0.0542","0.0476","","","0.1302","0.1349","","","","","","1.09","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208652","9.0247","0.0018","10.475","0.002","12.242","0.002","99.96","0.03","110.61","0.03","106.37","0.03","990.4","0.5","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H21 Mn N3 O6 -","- C20 H21 Mn N3 O6 -","- C40 H42 Mn2 N6 O12 -","2","1","","Deng, Zhao-Peng; Zhang, Zhu-Yan; Huo, Li-Hua; Ng, Seik Weng; Zhao, Hui; Gao, Shan","Syntheses, crystal structures and properties of transition metal coordination polymers based on isophthalic acid and flexible bis(pyridyl) ligand with unsymmetrical spacer: influence of metal cations, ligand conformations and coordination modes","CrystEngComm","2012","14","20","6548","","10.1039/c2ce25339a","","","0.71073","MoKα","","0.0703","0.0454","","","0.1034","0.1408","","","","","","1.092","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208653","9.536","0.0012","17.804","0.002","11.453","0.0016","90","","90","","90","","1944.5","0.4","295","2","295","2","","","","","","","","5","P n c 2","P 2 -2bc","30","","","","- C19 H19 Co N3 O6 -","- C19 H19 Co N3 O6 -","- C76 H76 Co4 N12 O24 -","4","1","","Deng, Zhao-Peng; Zhang, Zhu-Yan; Huo, Li-Hua; Ng, Seik Weng; Zhao, Hui; Gao, Shan","Syntheses, crystal structures and properties of transition metal coordination polymers based on isophthalic acid and flexible bis(pyridyl) ligand with unsymmetrical spacer: influence of metal cations, ligand conformations and coordination modes","CrystEngComm","2012","14","20","6548","","10.1039/c2ce25339a","","","0.71073","MoKα","","0.0595","0.0528","","","0.1404","0.1455","","","","","","1.059","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208654","9.4225","0.0018","17.784","0.004","11.416","0.003","90","","90","","90","","1913","0.8","295","2","295","2","","","","","","","","5","P n c 2","P 2 -2bc","30","","","","- C19 H19 N3 Ni O6 -","- C19 H19 N3 Ni O6 -","- C76 H76 N12 Ni4 O24 -","4","1","","Deng, Zhao-Peng; Zhang, Zhu-Yan; Huo, Li-Hua; Ng, Seik Weng; Zhao, Hui; Gao, Shan","Syntheses, crystal structures and properties of transition metal coordination polymers based on isophthalic acid and flexible bis(pyridyl) ligand with unsymmetrical spacer: influence of metal cations, ligand conformations and coordination modes","CrystEngComm","2012","14","20","6548","","10.1039/c2ce25339a","","","0.71073","MoKα","","0.0633","0.0567","","","0.1535","0.1589","","","","","","1.082","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208655","18.662","0.004","20.461","0.004","9.4272","0.0019","90","","90","","90","","3599.7","1.3","295","2","295","2","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C38 H32 N6 O10 Zn3 -","- C38 H32 N6 O10 Zn3 -","- C152 H128 N24 O40 Zn12 -","4","1","","Deng, Zhao-Peng; Zhang, Zhu-Yan; Huo, Li-Hua; Ng, Seik Weng; Zhao, Hui; Gao, Shan","Syntheses, crystal structures and properties of transition metal coordination polymers based on isophthalic acid and flexible bis(pyridyl) ligand with unsymmetrical spacer: influence of metal cations, ligand conformations and coordination modes","CrystEngComm","2012","14","20","6548","","10.1039/c2ce25339a","","","0.71073","MoKα","","0.0781","0.049","","","0.1009","0.1173","","","","","","1.04","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208656","12.129","0.0004","12.7912","0.0004","11.0668","0.0004","90","","90","","90","","1716.95","0.1","478","","478","","","","","","","","","4","P c a 21","P 2c -2ac","29","","1,4-diazabicyclo(2.2.2)octane hydrobromide","","- C6 H13 Br N2 -","- C6 H13 Br N2 -","- C48 H104 Br8 N16 -","8","2","","Nowicki, Waldemar; Olejniczak, Anna; Andrzejewski, Michał; Katrusiak, Andrzej","Reverse sequence of transitions in prototypic relaxor 1,4-diazabicyclo[2.2.2]octane","CrystEngComm","2012","14","20","6428","","10.1039/c2ce25359c","powder diffraction","","0.5385","synchrotron","","","","","","","","","5.9364","","","","","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208657","7.542","0.004","10.176","0.005","10.161","0.005","90","","90","","90","","779.8","0.7","296","2","296","2","400000","","","","","","","4","C m c 21","C 2c -2","36","dabcoHBr","1,4-diazabicyclo[2.2.2]octane hydrobromide","","- C6 H13 Br N2 -","- C6 H13 Br N2 -","- C24 H52 Br4 N8 -","4","0.5","","Nowicki, Waldemar; Olejniczak, Anna; Andrzejewski, Michał; Katrusiak, Andrzej","Reverse sequence of transitions in prototypic relaxor 1,4-diazabicyclo[2.2.2]octane","CrystEngComm","2012","14","20","6428","","10.1039/c2ce25359c","","","0.71073","MoKα","","0.0598","0.0449","","","0.0637","0.072","","","","","","1.061","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208658","5.0482","0.001","9.422","0.0019","10.25","0.002","90","","90","","90","","487.53","0.17","295","2","295","2","","","430000","","","","","3","P 21 21 21","P 2ac 2ab","19","2,3-butanediol","2,3-butanediol","","- C4 H10 O2 -","- C4 H10 O2 -","- C16 H40 O8 -","4","1","","Podsiadło, Marcin; Patyk, Ewa; Katrusiak, Andrzej","Chiral aggregation hierarchy in high-pressure resolved 2-butanol and 2,3-butanediol","CrystEngComm","2012","14","20","6419","","10.1039/c2ce25372k","","","0.71073","MoKα","","0.0619","0.0489","","","0.1242","0.1333","","","","","","1.126","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208659","5.0292","0.001","9.3989","0.0019","10.186","0.002","90","","90","","90","","481.48","0.17","295","2","295","2","","","630000","","","","","3","P 21 21 21","P 2ac 2ab","19","2,3-butanediol","2,3-butanediol","","- C4 H10 O2 -","- C4 H10 O2 -","- C16 H40 O8 -","4","1","","Podsiadło, Marcin; Patyk, Ewa; Katrusiak, Andrzej","Chiral aggregation hierarchy in high-pressure resolved 2-butanol and 2,3-butanediol","CrystEngComm","2012","14","20","6419","","10.1039/c2ce25372k","","","0.71073","MoKα","","0.1224","0.1013","","","0.2764","0.3079","","","","","","1.157","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208660","4.9973","0.001","9.4478","0.0019","10.076","0.002","90","","90","","90","","475.72","0.16","295","2","295","2","","","720000","","","","","3","P 21 21 21","P 2ac 2ab","19","2,3-butanediol","2,3-butanediol","","- C4 H10 O2 -","- C4 H10 O2 -","- C16 H40 O8 -","4","1","","Podsiadło, Marcin; Patyk, Ewa; Katrusiak, Andrzej","Chiral aggregation hierarchy in high-pressure resolved 2-butanol and 2,3-butanediol","CrystEngComm","2012","14","20","6419","","10.1039/c2ce25372k","","","0.71073","MoKα","","0.0375","0.0369","","","0.093","0.0935","","","","","","1.09","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208661","4.9467","0.001","9.3791","0.0019","9.834","0.002","90","","90","","90","","456.25","0.16","295","2","295","2","","","970000","","","","","3","P 21 21 21","P 2ac 2ab","19","2,3-butanediol","2,3-butanediol","","- C4 H10 O2 -","- C4 H10 O2 -","- C16 H40 O8 -","4","1","","Podsiadło, Marcin; Patyk, Ewa; Katrusiak, Andrzej","Chiral aggregation hierarchy in high-pressure resolved 2-butanol and 2,3-butanediol","CrystEngComm","2012","14","20","6419","","10.1039/c2ce25372k","","","0.71073","MoKα","","0.0481","0.0451","","","0.1021","0.1045","","","","","","1.126","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208662","5.058","0.001","5.2221","0.001","16.054","0.003","90","","90","","90","","424.04","0.14","295","2","295","2","","","2140000","","","","","3","P 21 21 21","P 2ac 2ab","19","2-butanol","2-butanol","","- C4 H10 O -","- C4 H10 O -","- C16 H40 O4 -","4","1","","Podsiadło, Marcin; Patyk, Ewa; Katrusiak, Andrzej","Chiral aggregation hierarchy in high-pressure resolved 2-butanol and 2,3-butanediol","CrystEngComm","2012","14","20","6419","","10.1039/c2ce25372k","","","0.71073","MoKα","","0.1265","0.0805","","","0.2045","0.2255","","","","","","1.025","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208663","5.0122","0.001","5.0885","0.001","16.044","0.003","90","","90","","90","","409.2","0.14","295","2","295","2","","","2330000","","","","","3","P 21 21 21","P 2ac 2ab","19","2-butanol","2-butanol","","- C4 H10 O -","- C4 H10 O -","- C16 H40 O4 -","4","1","","Podsiadło, Marcin; Patyk, Ewa; Katrusiak, Andrzej","Chiral aggregation hierarchy in high-pressure resolved 2-butanol and 2,3-butanediol","CrystEngComm","2012","14","20","6419","","10.1039/c2ce25372k","","","0.71073","MoKα","","0.1301","0.1118","","","0.2797","0.3005","","","","","","1.101","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208664","6.6041","0.0011","19.562","0.004","14.734","0.003","90","","91.627","0.007","90","","1902.7","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Cl2 N4 O4 Rh2 -","- C14 H14 Cl2 N4 O4 Rh2 -","- C56 H56 Cl8 N16 O16 Rh8 -","4","1","","Laurila, Elina; Tatikonda, Rajendhraprasad; Oresmaa, Larisa; Hirva, Pipsa; Haukka, Matti","Metallophilic interactions in stacked dinuclear rhodium 2,2′-biimidazole carbonyl complexes","CrystEngComm","2012","14","24","8401","","10.1039/c2ce25385b","","","0.71073","MoKα","","0.031","0.0224","","","0.0437","0.0477","","","","","","1.072","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208665","6.6991","0.0009","19.587","0.003","14.9395","0.0019","90","","91.815","0.005","90","","1959.3","0.5","260","2","260","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Cl2 N4 O4 Rh2 -","- C14 H14 Cl2 N4 O4 Rh2 -","- C56 H56 Cl8 N16 O16 Rh8 -","4","1","","Laurila, Elina; Tatikonda, Rajendhraprasad; Oresmaa, Larisa; Hirva, Pipsa; Haukka, Matti","Metallophilic interactions in stacked dinuclear rhodium 2,2′-biimidazole carbonyl complexes","CrystEngComm","2012","14","24","8401","","10.1039/c2ce25385b","","","0.71073","MoKα","","0.0389","0.0263","","","0.0507","0.058","","","","","","1.081","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208666","6.5871","0.0001","20.6666","0.0005","15.7822","0.0004","90","","100.013","0.001","90","","2115.75","0.08","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H18 Cl2 N4 O4 Rh2 -","- C16 H18 Cl2 N4 O4 Rh2 -","- C64 H72 Cl8 N16 O16 Rh8 -","4","0.5","","Laurila, Elina; Tatikonda, Rajendhraprasad; Oresmaa, Larisa; Hirva, Pipsa; Haukka, Matti","Metallophilic interactions in stacked dinuclear rhodium 2,2′-biimidazole carbonyl complexes","CrystEngComm","2012","14","24","8401","","10.1039/c2ce25385b","","","0.71073","MoKα","","0.0284","0.0238","","","0.0556","0.0579","","","","","","1.076","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208667","6.6678","0.001","20.686","0.004","15.926","0.003","90","","100.359","0.009","90","","2160.9","0.7","260","2","260","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H18 Cl2 N4 O4 Rh2 -","- C16 H18 Cl2 N4 O4 Rh2 -","- C64 H72 Cl8 N16 O16 Rh8 -","4","0.5","","Laurila, Elina; Tatikonda, Rajendhraprasad; Oresmaa, Larisa; Hirva, Pipsa; Haukka, Matti","Metallophilic interactions in stacked dinuclear rhodium 2,2′-biimidazole carbonyl complexes","CrystEngComm","2012","14","24","8401","","10.1039/c2ce25385b","","","0.71073","MoKα","","0.0353","0.0241","","","0.0588","0.0649","","","","","","1.05","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208668","6.5663","0.0005","20.5989","0.0018","15.7624","0.0012","90","","100.392","0.004","90","","2097","0.3","88","2","88","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 Cl2 N4 O4 Rh2 -","- C16 H18 Cl2 N4 O4 Rh2 -","- C64 H72 Cl8 N16 O16 Rh8 -","4","1","","Laurila, Elina; Tatikonda, Rajendhraprasad; Oresmaa, Larisa; Hirva, Pipsa; Haukka, Matti","Metallophilic interactions in stacked dinuclear rhodium 2,2′-biimidazole carbonyl complexes","CrystEngComm","2012","14","24","8401","","10.1039/c2ce25385b","","","0.71073","MoKα","","0.0443","0.0375","","","0.0912","0.0942","","","","","","1.159","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208669","13.3579","0.0005","9.9265","0.0004","18.76","0.0007","90","","106.731","0.002","90","","2382.22","0.16","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 N4 -","- C12 H18 N4 -","- C96 H144 N32 -","8","2","","Laurila, Elina; Tatikonda, Rajendhraprasad; Oresmaa, Larisa; Hirva, Pipsa; Haukka, Matti","Metallophilic interactions in stacked dinuclear rhodium 2,2′-biimidazole carbonyl complexes","CrystEngComm","2012","14","24","8401","","10.1039/c2ce25385b","","","0.71073","MoKα","","0.0528","0.0389","","","0.0957","0.1041","","","","","","1.02","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208670","9.27","0.002","6.7304","0.0013","9.71","0.004","90","","107.6","0.04","90","","577.5","0.3","296","2","296","2","1200000","","","","","","","5","P 1 21/m 1","-P 2yb","11","N-methyl-1,4-diazabicyclo(2.2.2)octanium bromide dimethanol cocrystal","N-methyl-1,4-diazabicyclo[2.2.2]octanium bromide dimethanol cocrystal","","- C9 H23 Br N2 O2 -","- C9 H23 Br N2 O2 -","- C18 H46 Br2 N4 O4 -","2","0.5","","Andrzejewski, Michał; Olejniczak, Anna; Katrusiak, Andrzej","Remote halogen switch of amine hydrophilicity","CrystEngComm","2012","14","20","6374","","10.1039/c2ce25401h","","","0.71073","MoKα","","0.0984","0.0643","","","0.1434","0.1599","","","","","","1.167","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208671","9.194","0.004","6.653","0.003","9.643","0.009","90","","107.72","0.07","90","","561.9","0.7","296","2","296","2","1700000","","","","","","","5","P 1 21/m 1","-P 2yb","11","N-methyl-1,4-diazabicyclo(2.2.2)octanium bromide dimethanol cocrystal","N-methyl-1,4-diazabicyclo[2.2.2]octanium bromide dimethanol cocrystal","","- C9 H23 Br N2 O2 -","- C9 H23 Br N2 O2 -","- C18 H46 Br2 N4 O4 -","2","0.5","","Andrzejewski, Michał; Olejniczak, Anna; Katrusiak, Andrzej","Remote halogen switch of amine hydrophilicity","CrystEngComm","2012","14","20","6374","","10.1039/c2ce25401h","","","0.71073","MoKα","","0.1801","0.1125","","","0.2178","0.2507","","","","","","1.137","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208672","9.059","0.003","6.7868","0.0017","10.543","0.004","90","","108.28","0.03","90","","615.5","0.4","296","2","296","2","1000000","","","","","","","5","P 1 21/m 1","-P 2yb","11","N-methyl-1,4-diazabicyclo(2.2.2)octanium iodide dimethanol cocrystal","N-methyl-1,4-diazabicyclo[2.2.2]octanium iodide dimethanol cocrystal","","- C9 H23 I N2 O2 -","- C9 H23 I N2 O2 -","- C18 H46 I2 N4 O4 -","2","0.5","","Andrzejewski, Michał; Olejniczak, Anna; Katrusiak, Andrzej","Remote halogen switch of amine hydrophilicity","CrystEngComm","2012","14","20","6374","","10.1039/c2ce25401h","","","0.71073","MoKα","","0.0277","0.0258","","","0.0609","0.0617","","","","","","1.178","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208673","9.04","0.003","6.759","0.0009","10.516","0.003","90","","108.45","0.03","90","","609.5","0.3","296","2","296","2","1200000","","","","","","","5","P 1 21/m 1","-P 2yb","11","N-methyl-1,4-diazabicyclo(2.2.2)octanium iodide dimethanol cocrystal","N-methyl-1,4-diazabicyclo[2.2.2]octanium iodide dimethanol cocrystal","","- C9 H23 I N2 O2 -","- C9 H23 I N2 O2 -","- C18 H46 I2 N4 O4 -","2","0.5","","Andrzejewski, Michał; Olejniczak, Anna; Katrusiak, Andrzej","Remote halogen switch of amine hydrophilicity","CrystEngComm","2012","14","20","6374","","10.1039/c2ce25401h","","","0.71073","MoKα","","0.0486","0.0447","","","0.1544","0.1566","","","","","","1.679","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208674","8.879","0.003","6.6161","0.0009","10.328","0.003","90","","108.81","0.03","90","","574.3","0.3","296","2","296","2","2400000","","","","","","","5","P 1 21/m 1","-P 2yb","11","N-methyl-1,4-diazabicyclo(2.2.2)octanium iodide dimethanol cocrystal","N-methyl-1,4-diazabicyclo[2.2.2]octanium iodide dimethanol cocrystal","","- C9 H23 I N2 O2 -","- C9 H23 I N2 O2 -","- C18 H46 I2 N4 O4 -","2","0.5","","Andrzejewski, Michał; Olejniczak, Anna; Katrusiak, Andrzej","Remote halogen switch of amine hydrophilicity","CrystEngComm","2012","14","20","6374","","10.1039/c2ce25401h","","","0.71073","MoKα","","0.059","0.055","","","0.0882","0.0884","","","","","","1.394","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208675","5.2238","0.0006","22.95","0.003","7.402","0.0008","90","","107.64","0.009","90","","845.67","0.18","273","","273","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","4-BP BF4","4-Bromopyridinium tetrafluoroborate","","- C5 H5 B Br F4 N -","- C5 H5 B Br F4 N -","- C20 H20 B4 Br4 F16 N4 -","4","0.5","","Awwadi, Firas F.; Haddad, Salim F.; Twamley, Brendan; Willett, Roger D.","Effect of intermolecular interactions on the molecular structure; theoretical study and crystal structures of 4-bromopyridinium tetrafluoroborate and diaqua(3-bromopyridine)difluorocopper(ii)","CrystEngComm","2012","14","20","6761","","10.1039/c2ce25433f","","","0.71073","MoKα","","0.087","0.0453","","","0.0995","0.1144","","","","","","1.051","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208676","7.7096","0.0014","6.7687","0.0012","8.5459","0.0015","90","","105.241","0.004","90","","430.27","0.13","89","2","89","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","(3-Brpy)CuF2.2H2O","","","- C5 H8 Br Cu F2 N O2 -","- C5 H8 Br Cu F2 N O2 -","- C10 H16 Br2 Cu2 F4 N2 O4 -","2","0.5","","Awwadi, Firas F.; Haddad, Salim F.; Twamley, Brendan; Willett, Roger D.","Effect of intermolecular interactions on the molecular structure; theoretical study and crystal structures of 4-bromopyridinium tetrafluoroborate and diaqua(3-bromopyridine)difluorocopper(ii)","CrystEngComm","2012","14","20","6761","","10.1039/c2ce25433f","","","0.71073","MoKα","","0.0235","0.0224","","","0.0615","0.0648","","","","","","1.152","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208677","19.875","0.006","39.36","0.03","4.398","0.004","90","","90","","90","","3440","4","296","2","296","2","80000","","","","","","","4","F d d 2","F 2 -2d","43","2-(3-chlorophenyl)-imidazoline","2-(3-chlorophenyl)-imidazoline","","- C9 H9 Cl N2 -","- C9 H9 Cl N2 -","- C144 H144 Cl16 N32 -","16","1","","Anioła, Michalina; Katrusiak, Andrzej; Kia, Reza","Negative linear compression and expanding NH⋯N bonds in an imidazoline compound","CrystEngComm","2012","14","20","6424","","10.1039/c2ce25507c","","","0.71073","MoKα","","0.1145","0.0994","","","0.2218","0.2367","","","","","","1.291","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208678","19.8523","0.0003","39.3437","0.0007","4.4697","0.0001","90","","90","","90","","3491.12","0.11","296","2","296","2","","","","","","","","4","F d d 2","F 2 -2d","43","2-(3-chlorophenyl)-imidazoline","2-(3-chlorophenyl)-imidazoline","","- C9 H9 Cl N2 -","- C9 H9 Cl N2 -","- C144 H144 Cl16 N32 -","16","1","","Anioła, Michalina; Katrusiak, Andrzej; Kia, Reza","Negative linear compression and expanding NH⋯N bonds in an imidazoline compound","CrystEngComm","2012","14","20","6424","","10.1039/c2ce25507c","","","1.54178","CuKα","","0.0591","0.0579","","","0.1695","0.1714","","","","","","1.11","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208679","19.659","0.009","38.94","0.04","4.07","0.005","90","","90","","90","","3116","5","293","2","296","2","1200000","","","","","","","4","F d d 2","F 2 -2d","43","2-(3-chlorophenyl)-imidazoline","2-(3-chlorophenyl)-imidazoline","","- C9 H9 Cl N2 -","- C9 H9 Cl N2 -","- C144 H144 Cl16 N32 -","16","1","","Anioła, Michalina; Katrusiak, Andrzej; Kia, Reza","Negative linear compression and expanding NH⋯N bonds in an imidazoline compound","CrystEngComm","2012","14","20","6424","","10.1039/c2ce25507c","","","0.71073","MoKα","","0.1802","0.1266","","","0.2628","0.2861","","","","","","1.224","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208680","6.0152","0.0011","12.442","0.002","29.838","0.006","90","","90","","90","","2233.1","0.7","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 N4 O6 -","- C21 H28 N4 O6 -","- C84 H112 N16 O24 -","4","1","","Konar, Anita Dutt","mABA inserted supramolecular triple helix formation in the solid state in synthetic tripeptides containing β-cyanoalanine and Aib as corner residues","CrystEngComm","2012","14","20","6689","","10.1039/c2ce25527h","","","0.71073","MoKα","","0.1045","0.0559","","","0.1145","0.1322","","","","","","0.799","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208681","6.037","0.002","11.169","0.004","16.091","0.006","90","","95.612","0.004","90","","1079.8","0.7","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H29 N3 O7 -","- C20 H29 N3 O7 -","- C40 H58 N6 O14 -","2","1","","Konar, Anita Dutt","mABA inserted supramolecular triple helix formation in the solid state in synthetic tripeptides containing β-cyanoalanine and Aib as corner residues","CrystEngComm","2012","14","20","6689","","10.1039/c2ce25527h","","","0.71073","MoKα","","0.0501","0.046","","","0.1272","0.1451","","","","","","1.108","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208682","18.6069","0.0011","19.1286","0.0009","24.0604","0.0014","91.308","0.002","91.075","0.003","94.282","0.004","8535.7","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","(Ni(Ni(bpy)(H2O))8(W(CN)8)6). 11.8 H2O","{Ni[Ni(bpy)(H2O)]8[W(CN)8]6}. 11.8 H2O","","- C128 H103.6 N64 Ni9 O19.8 W6 -","- C128 H64 N64 Ni9 O19.8 W6 -","- C256 H128 N128 Ni18 O39.6 W12 -","2","1","","Nowicka, Beata; Stadnicka, Katarzyna; Nitek, Wojciech; Rams, Michał; Sieklucka, Barbara","Geometrical isomerism in pentadecanuclear high-spin Ni9W6 clusters with symmetrical bidentate ligands detected","CrystEngComm","2012","14","20","6559","","10.1039/c2ce25537e","","","0.71073","MoKα","","0.0803","0.0471","","","0.1016","0.1144","","","","","","1.043","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208683","18.4747","0.0011","18.5055","0.0012","27.732","0.002","84.222","0.003","85.211","0.004","87.182","0.003","9392.1","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","(Ni(Ni(bpy)(solv))8(W(CN)8)6).11H2O","{Ni[Ni(bpy)(solv)]8[W(CN)8]6}.11H2O","","- C134.4 H114.8 N64 Ni9 O19 W6 -","- C134.4 H80 N64 Ni9 O19 W6 -","- C268.8 H160 N128 Ni18 O38 W12 -","2","1","","Nowicka, Beata; Stadnicka, Katarzyna; Nitek, Wojciech; Rams, Michał; Sieklucka, Barbara","Geometrical isomerism in pentadecanuclear high-spin Ni9W6 clusters with symmetrical bidentate ligands detected","CrystEngComm","2012","14","20","6559","","10.1039/c2ce25537e","","","0.71073","MoKα","","0.1432","0.1125","","","0.2804","0.304","","","","","","1.141","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208684","19.195","0.005","19.843","0.005","20.321","0.005","93.918","0.005","111.191","0.005","115.588","0.005","6273","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","(Ni(Ni(4,4'dmbpy)(H2O))8(W(CN)8)6)*18H2O","{Ni[Ni(4,4'dmbpy)(H2O)]8[W(CN)8]6}*18H2O","","- C152 H116 N64 Ni9 O12 W6 -","- C152 H116 N64 Ni9 O12 W6 -","- C152 H116 N64 Ni9 O12 W6 -","1","0.5","","Nowicka, Beata; Stadnicka, Katarzyna; Nitek, Wojciech; Rams, Michał; Sieklucka, Barbara","Geometrical isomerism in pentadecanuclear high-spin Ni9W6 clusters with symmetrical bidentate ligands detected","CrystEngComm","2012","14","20","6559","","10.1039/c2ce25537e","","","0.71069","MoKα","","0.0652","0.0421","","","0.1057","0.1176","","","","","","1.028","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208685","18.9503","0.0002","19.5178","0.0002","20.1197","0.0002","93.128","0.001","112.145","0.001","115.236","0.001","6025.51","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","(Ni(Ni(4,4'dmbpy)(H2O))8(W(CN)8)6)*18H2O","{Ni[Ni(4,4'dmbpy)(H2O)]8[W(CN)8]6}*18H2O","","- C160 H140 N66 Ni9 O24 W6 -","- C160 H140 N66 Ni9 O24 W6 -","- C160 H140 N66 Ni9 O24 W6 -","1","0.5","","Nowicka, Beata; Stadnicka, Katarzyna; Nitek, Wojciech; Rams, Michał; Sieklucka, Barbara","Geometrical isomerism in pentadecanuclear high-spin Ni9W6 clusters with symmetrical bidentate ligands detected","CrystEngComm","2012","14","20","6559","","10.1039/c2ce25537e","","","0.71073","MoKα","","0.0696","0.0537","","","0.1443","0.1594","","","","","","1.071","","","","has coordinates,has disorder","180417","2020-10-21","18:00:00",""
"7208686","19.12","0.005","19.474","0.005","19.769","0.005","100.32","0.005","105.23","0.005","118.465","0.005","5828","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","(Ni(Ni(5,5'dmbpy)(H2O))8(W(CN)8)6)*8H2O","{Ni[Ni(5,5'dmbpy)(H2O)]8[W(CN)8]6}*8H2O","","- C148 H96 N64 Ni9 O18 W6 -","- C148 H96 N64 Ni9 O18 W6 -","- C148 H96 N64 Ni9 O18 W6 -","1","0.5","","Nowicka, Beata; Stadnicka, Katarzyna; Nitek, Wojciech; Rams, Michał; Sieklucka, Barbara","Geometrical isomerism in pentadecanuclear high-spin Ni9W6 clusters with symmetrical bidentate ligands detected","CrystEngComm","2012","14","20","6559","","10.1039/c2ce25537e","","","0.71069","MoKα","","0.1326","0.0684","","","0.1445","0.177","","","","","","1.054","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208687","19.899","0.005","20.113","0.005","31.475","0.005","89.305","0.005","90.024","0.005","73.132","0.005","12054","5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","(Ni(Ni(5,5'dmbpy)(H2O))8(W(CN)8)6)*8H2O","{Ni[Ni(5,5'dmbpy)(H2O)]8[W(CN)8]6}*8H2O","","- C148 H89 N65 Ni9 O12 W6 -","- C148 H89 N65 Ni9 O12 W6 -","- C296 H178 N130 Ni18 O24 W12 -","2","1","","Nowicka, Beata; Stadnicka, Katarzyna; Nitek, Wojciech; Rams, Michał; Sieklucka, Barbara","Geometrical isomerism in pentadecanuclear high-spin Ni9W6 clusters with symmetrical bidentate ligands detected","CrystEngComm","2012","14","20","6559","","10.1039/c2ce25537e","","","0.71069","MoKα","","0.1964","0.0955","","","0.2047","0.2551","","","","","","1.048","","","","has coordinates,has disorder","180417","2020-10-21","18:00:00",""
"7208688","20.2904","0.0002","20.3359","0.0002","21.3903","0.0003","105.6","","111.614","0.001","98.081","0.001","7615.02","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","(Ni(Ni(4,4'dtbpy)(H2O))8(W(CN)8)6)*17H2O","{Ni[Ni(4,4'dtbpy)(H2O)]8[W(CN)8]6}*17H2O","","- C208 H232 N64 Ni9 O23 W6 -","- C208 H232 N64 Ni9 O23 W6 -","- C208 H232 N64 Ni9 O23 W6 -","1","0.5","","Nowicka, Beata; Stadnicka, Katarzyna; Nitek, Wojciech; Rams, Michał; Sieklucka, Barbara","Geometrical isomerism in pentadecanuclear high-spin Ni9W6 clusters with symmetrical bidentate ligands detected","CrystEngComm","2012","14","20","6559","","10.1039/c2ce25537e","","","0.71073","MoKα","","0.1047","0.054","","","0.123","0.1534","","","","","","1.067","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208689","11.582","0.002","15.457","0.003","14.73","0.003","90","","92.69","0.03","90","","2634.1","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Cl4 Hg2 N6 -","- C22 H18 Cl4 Hg2 N6 -","- C88 H72 Cl16 Hg8 N24 -","4","1","","Notash, Behrouz; Safari, Nasser; Khavasi, Hamid Reza","Anion-controlled structural motif in one-dimensional coordination networks via cooperative weak noncovalent interactions","CrystEngComm","2012","14","20","6788","","10.1039/c2ce25554e","","","0.71073","MoKα","","0.1114","0.0609","","","0.1001","0.1133","","","","","","1.155","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208690","8.2037","0.0016","11.926","0.002","14.227","0.003","88.07","0.03","82.43","0.03","87.89","0.03","1378.3","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 Br4 Hg2 N6 -","- C22 H18 Br4 Hg2 N6 -","- C44 H36 Br8 Hg4 N12 -","2","1","","Notash, Behrouz; Safari, Nasser; Khavasi, Hamid Reza","Anion-controlled structural motif in one-dimensional coordination networks via cooperative weak noncovalent interactions","CrystEngComm","2012","14","20","6788","","10.1039/c2ce25554e","","","0.71073","MoKα","","0.1123","0.0748","","","0.1744","0.1947","","","","","","1.127","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208691","8.6931","0.0017","12.727","0.003","13.158","0.003","90","","93.54","0.03","90","","1453","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H9 Hg I2 N3 -","- C11 H9 Hg I2 N3 -","- C44 H36 Hg4 I8 N12 -","4","1","","Notash, Behrouz; Safari, Nasser; Khavasi, Hamid Reza","Anion-controlled structural motif in one-dimensional coordination networks via cooperative weak noncovalent interactions","CrystEngComm","2012","14","20","6788","","10.1039/c2ce25554e","","","0.71073","MoKα","","0.1007","0.0793","","","0.1845","0.1978","","","","","","1.172","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208692","6.8912","0.0014","12.082","0.002","13.372","0.003","109.97","0.03","100.51","0.03","103.88","0.03","972.3","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H17 Na O6 -","- C21 H17 Na O6 -","- C42 H34 Na2 O12 -","2","1","","Butterhof, Christian; Bärwinkel, Kilian; Senker, Jürgen; Breu, Josef","Polymorphism in co-crystals: a metastable form of the ionic co-crystal 2 HBz·1 NaBz crystallised by flash evaporation","CrystEngComm","2012","14","20","6744","","10.1039/c2ce25562f","","","0.71073","MoKα","","0.1643","0.0461","","","0.092","0.1309","","","","","","0.765","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208693","5.8402","0.0012","14.499","0.003","22.136","0.004","90","","97.18","0.03","90","","1859.7","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 Na O6 -","- C21 H17 Na O6 -","- C84 H68 Na4 O24 -","4","1","","Butterhof, Christian; Bärwinkel, Kilian; Senker, Jürgen; Breu, Josef","Polymorphism in co-crystals: a metastable form of the ionic co-crystal 2 HBz·1 NaBz crystallised by flash evaporation","CrystEngComm","2012","14","20","6744","","10.1039/c2ce25562f","","","0.71073","MoKα","","0.0723","0.0411","","","0.0983","0.1173","","","","","","0.949","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208694","11.7485","0.001","11.7636","0.0012","16.8054","0.0018","73.176","0.005","89.985","0.007","89.854","0.007","2223.2","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H45 N2 O18.5 S4 U -","- C36 H44 N2 O18.5 S4 U -","- C72 H88 N4 O37 S8 U2 -","2","1","","Thuéry, Pierre","Uranyl and mixed uranyl‒lanthanide complexes with p-sulfonatocalix[4]arene","CrystEngComm","2012","14","20","6369","","10.1039/c2ce25577d","","","0.71073","MoKα","","0.102","0.0899","","","0.2138","0.2207","","","","","","1.117","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208695","11.6416","0.0011","32.87","0.003","12.0455","0.001","90","","90.578","0.006","90","","4609.1","0.7","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C56 H100 Ce2 O64 S8 U -","- C56 H40 Ce2 O64 S8 U -","- C112 H80 Ce4 O128 S16 U2 -","2","1","","Thuéry, Pierre","Uranyl and mixed uranyl‒lanthanide complexes with p-sulfonatocalix[4]arene","CrystEngComm","2012","14","20","6369","","10.1039/c2ce25577d","","","0.71073","MoKα","","0.0899","0.0756","","","0.1803","0.1886","","","","","","1.029","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208696","11.9431","0.0002","19.8987","0.0004","20.4792","0.0004","71.2552","0.0009","78.0759","0.001","77.8533","0.0008","4454.52","0.15","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H97 Eu2 O62.5 S8 U -","- C56 H46 Eu2 O62.5 S8 U -","- C112 H92 Eu4 O125 S16 U2 -","2","1","","Thuéry, Pierre","Uranyl and mixed uranyl‒lanthanide complexes with p-sulfonatocalix[4]arene","CrystEngComm","2012","14","20","6369","","10.1039/c2ce25577d","","","0.71073","MoKα","","0.0737","0.0594","","","0.1518","0.1587","","","","","","1.04","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7208697","9.7419","0.0006","18.752","0.0008","32.0657","0.0015","90","","96.542","0.005","90","","5819.6","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H52.5 Co2 N8 O16.25 -","- C50 H42 Co2 N8 O16.25 -","- C200 H168 Co8 N32 O65 -","4","1","","Guo, Jiao; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Two novel 3D metal‒organic frameworks based on two tetrahedral ligands: syntheses, structures, photoluminescence and photocatalytic properties","CrystEngComm","2012","14","20","6609","","10.1039/c2ce25588j","","","0.71073","MoKα","","0.1606","0.081","","","0.1685","0.1965","","","","","","1.185","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208698","9.8633","0.0003","16.4409","0.0006","18.2187","0.0006","90","","94.197","0.003","90","","2946.45","0.17","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C103 H102 Cd4 N17 O29 -","- C103 H80 Cd4 N17 O29 -","- C103 H80 Cd4 N17 O29 -","1","0.25","","Guo, Jiao; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Two novel 3D metal‒organic frameworks based on two tetrahedral ligands: syntheses, structures, photoluminescence and photocatalytic properties","CrystEngComm","2012","14","20","6609","","10.1039/c2ce25588j","","","0.71073","MoKα","","0.0774","0.0595","","","0.1613","0.1755","","","","","","1.056","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208699","8.4363","0.0004","5.3754","0.0002","25.8792","0.0012","90","","90","","90","","1173.58","0.09","295","2","295","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C14 H8 Li2 O5 -","- C14 H8 Li2 O5 -","- C56 H32 Li8 O20 -","4","0.5","","Cheng, P.-C.; Tseng, F.-S.; Yeh, C.-T.; Chang, T.-G.; Kao, C.-C.; Lin, C.-H.; Liu, W.-R.; Chen, J.-S.; Zima, V.","Synthesis, structures, and properties of alkali and alkaline earth coordination polymers based on V-shaped ligand","CrystEngComm","2012","14","20","6812","","10.1039/c2ce25589h","","","0.71073","MoKα","","0.0618","0.036","","","0.0819","0.0884","","","","","","1.018","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208700","29.1055","0.0012","5.7959","0.0002","7.697","0.0003","90","","92.448","0.002","90","","1297.24","0.09","295","2","295","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C14 H10 Na2 O6 -","- C14 H10 Na2 O6 -","- C56 H40 Na8 O24 -","4","1","","Cheng, P.-C.; Tseng, F.-S.; Yeh, C.-T.; Chang, T.-G.; Kao, C.-C.; Lin, C.-H.; Liu, W.-R.; Chen, J.-S.; Zima, V.","Synthesis, structures, and properties of alkali and alkaline earth coordination polymers based on V-shaped ligand","CrystEngComm","2012","14","20","6812","","10.1039/c2ce25589h","","","0.71073","MoKα","","0.0391","0.0321","","","0.0705","0.0748","","","","","","1.052","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208701","6.0308","0.0002","28.4845","0.0011","7.0345","0.0003","90","","90","","90","","1208.42","0.08","295","2","295","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C14 H9 K O5 -","- C14 H9 K O5 -","- C56 H36 K4 O20 -","4","0.5","","Cheng, P.-C.; Tseng, F.-S.; Yeh, C.-T.; Chang, T.-G.; Kao, C.-C.; Lin, C.-H.; Liu, W.-R.; Chen, J.-S.; Zima, V.","Synthesis, structures, and properties of alkali and alkaline earth coordination polymers based on V-shaped ligand","CrystEngComm","2012","14","20","6812","","10.1039/c2ce25589h","","","0.71073","MoKα","","0.0461","0.0343","","","0.0899","0.0946","","","","","","1.041","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208702","6.3248","0.0002","28.4469","0.0009","7.0194","0.0002","90","","90","","90","","1262.94","0.07","295","2","295","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C14 H9 O5 Rb -","- C14 H9 O5 Rb -","- C56 H36 O20 Rb4 -","4","0.5","","Cheng, P.-C.; Tseng, F.-S.; Yeh, C.-T.; Chang, T.-G.; Kao, C.-C.; Lin, C.-H.; Liu, W.-R.; Chen, J.-S.; Zima, V.","Synthesis, structures, and properties of alkali and alkaline earth coordination polymers based on V-shaped ligand","CrystEngComm","2012","14","20","6812","","10.1039/c2ce25589h","","","0.71073","MoKα","","0.0431","0.0273","","","0.0679","0.0733","","","","","","1.075","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208703","6.7477","0.0001","28.4272","0.0003","7.0986","0.0001","90","","90","","90","","1361.64","0.03","295","2","295","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C14 H9 Cs O5 -","- C14 H9 Cs O5 -","- C56 H36 Cs4 O20 -","4","0.5","","Cheng, P.-C.; Tseng, F.-S.; Yeh, C.-T.; Chang, T.-G.; Kao, C.-C.; Lin, C.-H.; Liu, W.-R.; Chen, J.-S.; Zima, V.","Synthesis, structures, and properties of alkali and alkaline earth coordination polymers based on V-shaped ligand","CrystEngComm","2012","14","20","6812","","10.1039/c2ce25589h","","","0.71073","MoKα","","0.0373","0.0291","","","0.0727","0.0762","","","","","","1.015","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208704","14.0657","0.0008","10.0353","0.0006","10.2031","0.0006","90","","105.474","0.003","90","","1388","0.14","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 Mg O7 -","- C14 H12 Mg O7 -","- C56 H48 Mg4 O28 -","4","1","","Cheng, P.-C.; Tseng, F.-S.; Yeh, C.-T.; Chang, T.-G.; Kao, C.-C.; Lin, C.-H.; Liu, W.-R.; Chen, J.-S.; Zima, V.","Synthesis, structures, and properties of alkali and alkaline earth coordination polymers based on V-shaped ligand","CrystEngComm","2012","14","20","6812","","10.1039/c2ce25589h","","","0.71073","MoKα","","0.1185","0.0777","","","0.2269","0.2446","","","","","","1.093","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208705","5.633","0.0001","28.9079","0.0005","7.8516","0.0001","90","","95.517","0.001","90","","1272.62","0.04","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 Ca O6 -","- C14 H10 Ca O6 -","- C56 H40 Ca4 O24 -","4","1","","Cheng, P.-C.; Tseng, F.-S.; Yeh, C.-T.; Chang, T.-G.; Kao, C.-C.; Lin, C.-H.; Liu, W.-R.; Chen, J.-S.; Zima, V.","Synthesis, structures, and properties of alkali and alkaline earth coordination polymers based on V-shaped ligand","CrystEngComm","2012","14","20","6812","","10.1039/c2ce25589h","","","0.71073","MoKα","","0.0288","0.0258","","","0.0709","0.0731","","","","","","1.044","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208706","29.3128","0.0011","6.3013","0.0002","7.0793","0.0003","90","","90","","90","","1307.61","0.08","295","2","295","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H10 O6 Sr -","- C14 H10 O6 Sr -","- C56 H40 O24 Sr4 -","4","1","","Cheng, P.-C.; Tseng, F.-S.; Yeh, C.-T.; Chang, T.-G.; Kao, C.-C.; Lin, C.-H.; Liu, W.-R.; Chen, J.-S.; Zima, V.","Synthesis, structures, and properties of alkali and alkaline earth coordination polymers based on V-shaped ligand","CrystEngComm","2012","14","20","6812","","10.1039/c2ce25589h","","","0.71073","MoKα","","0.0439","0.0342","","","0.0705","0.0723","","","","","","1.059","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208707","18.5081","0.0005","18.5081","0.0005","13.2016","0.0009","90","","90","","90","","4522.2","0.4","293","2","293","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C48 H32 Cd Cu2 N4 O8 -","- C48 H32 Cd Cu2 N4 O8 -","- C192 H128 Cd4 Cu8 N16 O32 -","4","0.25","","He, Yan-Ping; Tan, Yan-Xi; Zhang, Jian","Deliberate design of a neutral heterometallic organic framework containing a record 25-fold interpenetrating diamondoid network","CrystEngComm","2012","14","20","6359","","10.1039/c2ce25605c","","","0.71073","MoKα","","0.0662","0.0513","","","0.1596","0.1712","","","","","","1.089","","","","has coordinates,has disorder","180418","2020-10-21","18:00:00",""
"7208708","12.5886","0.0006","12.5886","0.0006","9.218","0.0004","90","","90","","120","","1265.09","0.1","93.1","","93.1","","","","","","","","","6","P 3 2 1","P 3 2""","150","","","","- C21 H23.5 Cr0.5 Fe N10 O6.5 -","- C21 H22.5 Cr0.5 Fe N10 O6.495 -","- C42 H45 Cr Fe2 N20 O12.99 -","2","0.333333","","Sunatsuki, Yukinari; Miyahara, Sho; Sasaki, Yuu; Suzuki, Takayoshi; Kojima, Masaaki; Matsumoto, Naohide","Conglomerate crystallization, chiral recognition and spin-crossover in a host‒guest complex consisting of FeIII complexes (host) and [Cr(ox)3]3− (guest)","CrystEngComm","2012","14","20","6377","","10.1039/c2ce25612f","","","0.71075","MoKα","","","0.0616","","","","0.1822","","","","","","1.047","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208709","12.6333","0.0005","12.6333","0.0005","9.258","0.0004","90","","90","","120","","1279.62","0.09","293","","293","","","","","","","","","6","P 3 2 1","P 3 2""","150","","","","- C21 H23.5 Cr0.5 Fe N10 O6.5 -","- C21 H22.5 Cr0.5 Fe N10 O6.495 -","- C42 H45 Cr Fe2 N20 O12.99 -","2","0.333333","","Sunatsuki, Yukinari; Miyahara, Sho; Sasaki, Yuu; Suzuki, Takayoshi; Kojima, Masaaki; Matsumoto, Naohide","Conglomerate crystallization, chiral recognition and spin-crossover in a host‒guest complex consisting of FeIII complexes (host) and [Cr(ox)3]3− (guest)","CrystEngComm","2012","14","20","6377","","10.1039/c2ce25612f","","","0.71075","MoKα","","","0.0618","","","","0.1905","","","","","","1.092","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208710","5.8719","0.0012","8.9749","0.0018","9.2191","0.0018","78.23","0.03","78.19","0.03","88.73","0.03","465.46","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H22 Cd Cl2 N4 S2 -","- C12 H22 Cd Cl2 N4 S2 -","- C12 H22 Cd Cl2 N4 S2 -","1","0.5","","Jia, Hong-Li; Jia, Ming-Jun; Zeng, Guang; Jin, Juan; Yu, Jie-Hui; Xu, Ji-Qing","Structural characterization of a series of new organically templated chained thiocyanato(halo)cadmates","CrystEngComm","2012","14","20","6599","","10.1039/c2ce25616a","","","0.71073","MoKα","","0.0343","0.0315","","","0.078","0.0918","","","","","","1.137","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208711","21.4812","0.0008","5.8879","0.0001","27.0285","0.0008","90","","98.74","0.003","90","","3378.85","0.17","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C20 H28 Br Cd3 N9 S7 -","- C20 H28 Br Cd3 N9 S7 -","- C80 H112 Br4 Cd12 N36 S28 -","4","1","","Jia, Hong-Li; Jia, Ming-Jun; Zeng, Guang; Jin, Juan; Yu, Jie-Hui; Xu, Ji-Qing","Structural characterization of a series of new organically templated chained thiocyanato(halo)cadmates","CrystEngComm","2012","14","20","6599","","10.1039/c2ce25616a","","","0.71073","MoKα","","0.0427","0.0365","","","0.0932","0.0965","","","","","","1.038","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208712","11.893","0.002","18.214","0.004","7.3355","0.0015","90","","98.32","0.03","90","","1572.3","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Br2 Cd N4 S2 -","- C12 H10 Br2 Cd N4 S2 -","- C48 H40 Br8 Cd4 N16 S8 -","4","0.5","","Jia, Hong-Li; Jia, Ming-Jun; Zeng, Guang; Jin, Juan; Yu, Jie-Hui; Xu, Ji-Qing","Structural characterization of a series of new organically templated chained thiocyanato(halo)cadmates","CrystEngComm","2012","14","20","6599","","10.1039/c2ce25616a","","","0.71073","MoKα","","0.0306","0.0284","","","0.0689","0.0699","","","","","","1.164","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208713","5.8239","0.0012","9.2118","0.0018","11.001","0.002","105.22","0.03","104.66","0.03","102.32","0.03","525.6","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 Cd N6 S4 -","- C16 H14 Cd N6 S4 -","- C16 H14 Cd N6 S4 -","1","0.5","","Jia, Hong-Li; Jia, Ming-Jun; Zeng, Guang; Jin, Juan; Yu, Jie-Hui; Xu, Ji-Qing","Structural characterization of a series of new organically templated chained thiocyanato(halo)cadmates","CrystEngComm","2012","14","20","6599","","10.1039/c2ce25616a","","","0.71073","MoKα","","0.0217","0.0203","","","0.0501","0.0506","","","","","","1.076","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208714","7.6572","0.0015","18.782","0.004","8.4532","0.0017","90","","90","","90","","1215.7","0.4","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H16 Cd Cl4 N2 -","- C6 H16 Cd Cl4 N2 -","- C24 H64 Cd4 Cl16 N8 -","4","0.5","","Jia, Hong-Li; Jia, Ming-Jun; Zeng, Guang; Jin, Juan; Yu, Jie-Hui; Xu, Ji-Qing","Structural characterization of a series of new organically templated chained thiocyanato(halo)cadmates","CrystEngComm","2012","14","20","6599","","10.1039/c2ce25616a","","","0.71073","MoKα","","0.0168","0.0158","","","0.0378","0.0381","","","","","","1.179","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208715","25.409","0.005","5.9049","0.0012","14.194","0.003","90","","107.94","0.03","90","","2026.1","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H22 Cd N6 S4 -","- C14 H22 Cd N6 S4 -","- C56 H88 Cd4 N24 S16 -","4","0.5","","Jia, Hong-Li; Jia, Ming-Jun; Zeng, Guang; Jin, Juan; Yu, Jie-Hui; Xu, Ji-Qing","Structural characterization of a series of new organically templated chained thiocyanato(halo)cadmates","CrystEngComm","2012","14","20","6599","","10.1039/c2ce25616a","","","0.71073","MoKα","","0.0318","0.0259","","","0.0566","0.0585","","","","","","1.123","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208716","18.232","0.003","10.8471","0.0017","18.894","0.003","90","","108.711","0.003","90","","3539.1","1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H38 N6 O10 Zn2 -","- C33 H38 N6 O10 Zn2 -","- C132 H152 N24 O40 Zn8 -","4","1","","Hao, Hong-Jun; Liu, Fu-Jing; Su, Hai-Feng; Wang, Zhan-Hui; Wang, Dan-Feng; Huang, Rong-Bin; Zheng, Lan-Sun","Syntheses, structures and fluorescence of two coordination complexes of Zn(ii) and 1,3-bis(2-methylimidazolyl)propane: solvent effect","CrystEngComm","2012","14","20","6726","","10.1039/c2ce25673h","","","0.71073","MoKα","","0.0671","0.0567","","","0.1475","0.1567","","","","","","0.914","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208717","9.695","0.002","18.427","0.004","12.52","0.003","90","","106.434","0.004","90","","2145.3","0.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 N4 O7 Zn -","- C19 H25 N4 O7 Zn -","- C76 H100 N16 O28 Zn4 -","4","1","","Hao, Hong-Jun; Liu, Fu-Jing; Su, Hai-Feng; Wang, Zhan-Hui; Wang, Dan-Feng; Huang, Rong-Bin; Zheng, Lan-Sun","Syntheses, structures and fluorescence of two coordination complexes of Zn(ii) and 1,3-bis(2-methylimidazolyl)propane: solvent effect","CrystEngComm","2012","14","20","6726","","10.1039/c2ce25673h","","","0.71073","MoKα","","0.0725","0.0571","","","0.1441","0.1547","","","","","","1.023","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208718","7.1354","0.0004","30.7781","0.0016","9.8145","0.0005","90","","102.696","0.002","90","","2102.7","0.19","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H33 N5 O6 W -","- C17 H30 N5 O6 W -","- C68 H120 N20 O24 W4 -","4","1","","Shizhen, Du; Xiaoming, Lu; Jun, Feng; Yifeng, Cheng; Lan, An; Xiaojing, Sun","Nano-structures assembled by quantum motifs consisting of tungsten complexes and differences from their molybdenum analogues","CrystEngComm","2012","14","20","6618","","10.1039/c2ce25690h","","","0.71073","MoKα","","0.0222","0.0214","","","0.0445","0.0447","","","","","","1.321","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208719","13.513","0.001","15.5802","0.0011","20.9805","0.0016","90","","90","","90","","4417.1","0.6","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H32 N4 O6 W -","- C18 H30 N4 O6 W -","- C144 H240 N32 O48 W8 -","8","1","","Shizhen, Du; Xiaoming, Lu; Jun, Feng; Yifeng, Cheng; Lan, An; Xiaojing, Sun","Nano-structures assembled by quantum motifs consisting of tungsten complexes and differences from their molybdenum analogues","CrystEngComm","2012","14","20","6618","","10.1039/c2ce25690h","","","0.71073","MoKα","","0.0421","0.0293","","","0.0785","0.0912","","","","","","1.076","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208720","7.0702","0.0002","23.5538","0.0007","13.0177","0.0004","90","","98.18","0.001","90","","2145.78","0.11","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H32 N4 O6 W -","- C18 H30 N4 O6 W -","- C72 H120 N16 O24 W4 -","4","1","","Shizhen, Du; Xiaoming, Lu; Jun, Feng; Yifeng, Cheng; Lan, An; Xiaojing, Sun","Nano-structures assembled by quantum motifs consisting of tungsten complexes and differences from their molybdenum analogues","CrystEngComm","2012","14","20","6618","","10.1039/c2ce25690h","","","0.71073","MoKα","","0.0256","0.024","","","0.0629","0.0639","","","","","","1.144","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208721","11.4027","0.0003","23.4885","0.0006","22.6238","0.0005","90","","90","","90","","6059.4","0.3","100","2","100","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C64 H60 N8 Ni O3 -","- C64 H60 N8 Ni O3 -","- C256 H240 N32 Ni4 O12 -","4","","","Kounavi, Konstantina A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","Supramolecular patterns of cationic and neutral Ni(ii) complexes from the interplay of hydrogen-bonding, stacking interactions and metal-coordination motifs","CrystEngComm","2012","14","20","6492","","10.1039/c2ce25704a","","","0.71073","MoKα","","0.0642","0.0489","","","0.1211","0.125","","","","","","0.989","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208722","11.6264","0.0002","24.3482","0.0003","22.2375","0.0003","90","","90","","90","","6295.03","0.16","100","2","100","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C68 H68 Cl4 N8 Ni2 O2 -","- C68 H68 Cl4 N8 Ni2 O2 -","- C272 H272 Cl16 N32 Ni8 O8 -","4","","","Kounavi, Konstantina A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","Supramolecular patterns of cationic and neutral Ni(ii) complexes from the interplay of hydrogen-bonding, stacking interactions and metal-coordination motifs","CrystEngComm","2012","14","20","6492","","10.1039/c2ce25704a","","","0.71073","MoKα","","0.0452","0.0372","","","0.0908","0.093","","","","","","0.983","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208723","11.4808","0.0002","23.4663","0.0004","22.5673","0.0004","90","","90","","90","","6079.9","0.18","100","2","100","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C64 H62.8 Br2 N8 Ni O3.4 -","- C64 H56 Br2 N8 Ni O3.4 -","- C256 H224 Br8 N32 Ni4 O13.6 -","4","","","Kounavi, Konstantina A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","Supramolecular patterns of cationic and neutral Ni(ii) complexes from the interplay of hydrogen-bonding, stacking interactions and metal-coordination motifs","CrystEngComm","2012","14","20","6492","","10.1039/c2ce25704a","","","0.71073","MoKα","","0.0933","0.078","","","0.2007","0.2135","","","","","","1.037","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208724","11.1951","0.0002","29.4448","0.0004","18.0834","0.0003","90","","96.759","0.002","90","","5919.54","0.17","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C66.8 H67.2 N10 Ni O8.8 -","- C66.8 H67.2 N10 Ni O8.8 -","- C267.2 H268.8 N40 Ni4 O35.2 -","4","1","","Kounavi, Konstantina A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","Supramolecular patterns of cationic and neutral Ni(ii) complexes from the interplay of hydrogen-bonding, stacking interactions and metal-coordination motifs","CrystEngComm","2012","14","20","6492","","10.1039/c2ce25704a","","","0.71073","MoKα","","0.0937","0.049","","","0.1029","0.1101","","","","","","0.927","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208725","23.7034","0.0005","11.7726","0.0003","22.0772","0.0007","90","","90","","90","","6160.7","0.3","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C67 H62 Cl2 N8 Ni O9 -","- C67 H62 Cl N8 Ni O5 -","- C268 H248 Cl4 N32 Ni4 O20 -","4","1","","Kounavi, Konstantina A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","Supramolecular patterns of cationic and neutral Ni(ii) complexes from the interplay of hydrogen-bonding, stacking interactions and metal-coordination motifs","CrystEngComm","2012","14","20","6492","","10.1039/c2ce25704a","","","1.54184","CuKα","","0.0624","0.0573","","","0.1542","0.1606","","","","","","1.024","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208726","15.7526","0.0005","19.9434","0.0007","19.9541","0.0008","116.937","0.004","103.576","0.003","93.729","0.003","5325.2","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C120 H98.7 Cl6 N16 Ni3 O1.35 -","- C120 H96 Cl6 N16 Ni3 O1.35 -","- C240 H192 Cl12 N32 Ni6 O2.7 -","2","1","","Kounavi, Konstantina A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","Supramolecular patterns of cationic and neutral Ni(ii) complexes from the interplay of hydrogen-bonding, stacking interactions and metal-coordination motifs","CrystEngComm","2012","14","20","6492","","10.1039/c2ce25704a","","","0.71073","MoKα","","0.0986","0.0454","","","0.0784","0.0863","","","","","","0.94","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7208727","12.2832","0.0004","15.2035","0.0006","19.4459","0.0006","69.188","0.003","82.117","0.002","68.905","0.003","3166.9","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C69.4 H62.1 Br2 N12.7 Ni -","- C69.4 H62.1 Br2 N12.7 Ni -","- C138.8 H124.2 Br4 N25.4 Ni2 -","2","1","","Kounavi, Konstantina A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","Supramolecular patterns of cationic and neutral Ni(ii) complexes from the interplay of hydrogen-bonding, stacking interactions and metal-coordination motifs","CrystEngComm","2012","14","20","6492","","10.1039/c2ce25704a","","","0.71073","MoKα","","0.0892","0.0443","","","0.0858","0.0903","","","","","","0.921","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208728","23.8271","0.0007","11.3058","0.0004","23.1922","0.0008","90","","90","","90","","6247.6","0.4","100","2","100","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C66 H61.6 I2 N8 Ni O2.8 -","- C66 H60 I2 N8 Ni O2.8 -","- C264 H240 I8 N32 Ni4 O11.2 -","4","","","Kounavi, Konstantina A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","Supramolecular patterns of cationic and neutral Ni(ii) complexes from the interplay of hydrogen-bonding, stacking interactions and metal-coordination motifs","CrystEngComm","2012","14","20","6492","","10.1039/c2ce25704a","","","0.71073","MoKα","","0.0463","0.0423","","","0.1158","0.1183","","","","","","1.01","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208729","11.4752","0.0003","22.951","0.0005","22.8593","0.0005","90","","90","","90","","6020.4","0.2","100","2","100","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C64 H64 N10 Ni O10 -","- C64 H60 N10 Ni O10 -","- C256 H240 N40 Ni4 O40 -","4","0.5","","Kounavi, Konstantina A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","Supramolecular patterns of cationic and neutral Ni(ii) complexes from the interplay of hydrogen-bonding, stacking interactions and metal-coordination motifs","CrystEngComm","2012","14","20","6492","","10.1039/c2ce25704a","","","0.71073","MoKα","","0.0582","0.0434","","","0.1067","0.1114","","","","","","0.996","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208730","13.1954","0.0007","23.8866","0.001","11.2041","0.0007","90","","114.105","0.007","90","","3223.5","0.3","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C68.4 H64.8 Cl2 N8 Ni O10.8 -","- C68.4 H64.8 Cl2 N8 Ni O10.8 -","- C136.8 H129.6 Cl4 N16 Ni2 O21.6 -","2","1","","Kounavi, Konstantina A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","Supramolecular patterns of cationic and neutral Ni(ii) complexes from the interplay of hydrogen-bonding, stacking interactions and metal-coordination motifs","CrystEngComm","2012","14","20","6492","","10.1039/c2ce25704a","","","0.71073","MoKα","","0.0955","0.0875","","","0.2353","0.2476","","","","","","1.1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208731","17.4689","0.0004","8.7125","0.0002","18.7322","0.0004","90","","90","","90","","2851","0.11","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C32 H28 Cl2 N4 Ni -","- C32 H28 Cl2 N4 Ni -","- C128 H112 Cl8 N16 Ni4 -","4","0.5","","Kounavi, Konstantina A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","Supramolecular patterns of cationic and neutral Ni(ii) complexes from the interplay of hydrogen-bonding, stacking interactions and metal-coordination motifs","CrystEngComm","2012","14","20","6492","","10.1039/c2ce25704a","","","0.71073","MoKα","","0.0665","0.0328","","","0.0608","0.0653","","","","","","0.846","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208732","28.6711","0.0003","28.6711","0.0003","14.0797","0.0002","90","","90","","90","","11574","0.2","100","2","100","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C32 H28 Br2 N4 Ni -","- C32 H28 Br2 N4 Ni -","- C512 H448 Br32 N64 Ni16 -","16","1","","Kounavi, Konstantina A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","Supramolecular patterns of cationic and neutral Ni(ii) complexes from the interplay of hydrogen-bonding, stacking interactions and metal-coordination motifs","CrystEngComm","2012","14","20","6492","","10.1039/c2ce25704a","","","0.71073","MoKα","","0.0334","0.0251","","","0.0454","0.0461","","","","","","0.902","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208733","6.0809","0.0003","7.3878","0.0005","16.0562","0.001","100.554","0.006","98.892","0.005","94.548","0.005","696.28","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 N6 Ni O4 -","- C32 H28 N6 Ni O4 -","- C32 H28 N6 Ni O4 -","1","0.5","","Kounavi, Konstantina A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","Supramolecular patterns of cationic and neutral Ni(ii) complexes from the interplay of hydrogen-bonding, stacking interactions and metal-coordination motifs","CrystEngComm","2012","14","20","6492","","10.1039/c2ce25704a","","","1.54184","CuKα","","0.0742","0.0725","","","0.1905","0.191","","","","","","1.065","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208734","9.995","0.002","11.41","0.003","11.572","0.003","87.877","0.004","88.749","0.004","83.876","0.003","1311.1","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H26 Cd N4 O4 -","- C30 H26 Cd N4 O4 -","- C60 H52 Cd2 N8 O8 -","2","1","","Sun, Di; Yan, Zhi-Hao; Deng, Yong-Kai; Yuan, Shuai; Wang, Lei; Sun, Dao-Feng","Two novel entangled metal‒organic networks constructed from 4,4′-bis(2-methylimidazol-1-ylmethyl)biphenyl and dicarboxylates: From polycatenated 2D + 2D →3D framework to polyrotaxane-like 2D + 2D →2D layer","CrystEngComm","2012","14","23","7856","","10.1039/c2ce25706h","","","0.71073","MoKα","","0.0489","0.0382","","","0.0961","0.1043","","","","","","1.032","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208735","10.237","0.012","11.827","0.014","14.256","0.016","91.67","0.02","109.35","0.02","103.26","0.02","1575","3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H22 Br4 N4 O4 Zn -","- C30 H22 Br4 N4 O4 Zn -","- C60 H44 Br8 N8 O8 Zn2 -","2","1","","Sun, Di; Yan, Zhi-Hao; Deng, Yong-Kai; Yuan, Shuai; Wang, Lei; Sun, Dao-Feng","Two novel entangled metal‒organic networks constructed from 4,4′-bis(2-methylimidazol-1-ylmethyl)biphenyl and dicarboxylates: From polycatenated 2D + 2D →3D framework to polyrotaxane-like 2D + 2D →2D layer","CrystEngComm","2012","14","23","7856","","10.1039/c2ce25706h","","","0.71073","MoKα","","0.1194","0.0532","","","0.1195","0.1523","","","","","","0.887","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208736","16.4467","0.0011","7.9431","0.0004","26.0004","0.0019","90","","90","","90","","3396.6","0.4","173","2","173","2","","","","","","","","4","C m c a","-C 2ac 2","64","","","","- C19 H23 N2 S2 -","- C19 H23 N2 S2 -","- C152 H184 N16 S16 -","8","","","Park, Sunhong; Lee, Seul-Gi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sun","Macrocycles incorporating isomeric arms: synthesis and crystal structures of ligands and their mono-, di- and polynuclear supramolecular complexes","CrystEngComm","2012","14","20","6515","","10.1039/c2ce25708d","","","0.71073","MoKα","","0.1661","0.1384","","","0.3609","0.3854","","","","","","1.768","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208737","8.9908","0.0002","8.1469","0.0002","22.5487","0.0006","90","","90.993","0.001","90","","1651.38","0.07","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 N2 S2 -","- C18 H22 N2 S2 -","- C72 H88 N8 S8 -","4","1","","Park, Sunhong; Lee, Seul-Gi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sun","Macrocycles incorporating isomeric arms: synthesis and crystal structures of ligands and their mono-, di- and polynuclear supramolecular complexes","CrystEngComm","2012","14","20","6515","","10.1039/c2ce25708d","","","0.71073","MoKα","","0.0648","0.0423","","","0.0939","0.103","","","","","","1.031","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208738","8.6109","0.001","8.8251","0.001","22.832","0.003","90","","91.635","0.002","90","","1734.3","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 N2 O0 S2 -","- C18 H23 N2 S2 -","- C72 H92 N8 S8 -","4","1","","Park, Sunhong; Lee, Seul-Gi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sun","Macrocycles incorporating isomeric arms: synthesis and crystal structures of ligands and their mono-, di- and polynuclear supramolecular complexes","CrystEngComm","2012","14","20","6515","","10.1039/c2ce25708d","","","0.71073","MoKα","","0.1434","0.0894","","","0.2616","0.3191","","","","","","1.059","","","","has coordinates,has disorder","180418","2020-10-21","18:00:00",""
"7208739","10.4455","0.0004","16.5989","0.0007","11.7361","0.0005","90","","92.14","0.002","90","","2033.43","0.14","173","2","173","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 Ag Cl F0 N2 O4 P0 S2 -","- C18 H22 Ag Cl N2 O4 S2 -","- C72 H88 Ag4 Cl4 N8 O16 S8 -","4","1","","Park, Sunhong; Lee, Seul-Gi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sun","Macrocycles incorporating isomeric arms: synthesis and crystal structures of ligands and their mono-, di- and polynuclear supramolecular complexes","CrystEngComm","2012","14","20","6515","","10.1039/c2ce25708d","","","0.71073","MoKα","","0.0826","0.0643","","","0.176","0.1881","","","","","","1.028","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208740","22.717","0.003","8.7709","0.001","20.543","0.002","90","","91.765","0.002","90","","4091.2","0.8","173","2","173","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C18 H22 Ag Cl N2 O4 S2 -","- C18 H22 Ag Cl N2 O4 S2 -","- C144 H176 Ag8 Cl8 N16 O32 S16 -","8","2","","Park, Sunhong; Lee, Seul-Gi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sun","Macrocycles incorporating isomeric arms: synthesis and crystal structures of ligands and their mono-, di- and polynuclear supramolecular complexes","CrystEngComm","2012","14","20","6515","","10.1039/c2ce25708d","","","0.71073","MoKα","","0.0744","0.0455","","","0.1029","0.1188","","","","","","1.025","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208741","13.4295","0.0007","17.027","0.0009","20.1592","0.0011","90","","90","","90","","4609.7","0.4","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C20 H25 Ag Cl N3 O4 S2 -","- C20 H25 Ag Cl N3 O4 S2 -","- C160 H200 Ag8 Cl8 N24 O32 S16 -","8","1","","Park, Sunhong; Lee, Seul-Gi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sun","Macrocycles incorporating isomeric arms: synthesis and crystal structures of ligands and their mono-, di- and polynuclear supramolecular complexes","CrystEngComm","2012","14","20","6515","","10.1039/c2ce25708d","","","0.71073","MoKα","","0.0717","0.0631","","","0.1117","0.1143","","","","","","1.344","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208742","33.8229","0.0008","7.4038","0.0002","9.1147","0.0002","90","","90","","90","","2282.48","0.1","173","2","173","2","","","","","","","","6","P b a m","-P 2 2ab","55","","","","- C19 H26 Ag2 N4 O7 S2 -","- C19 H26 Ag2 N4 O7 S2 -","- C76 H104 Ag8 N16 O28 S8 -","4","0.5","","Park, Sunhong; Lee, Seul-Gi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sun","Macrocycles incorporating isomeric arms: synthesis and crystal structures of ligands and their mono-, di- and polynuclear supramolecular complexes","CrystEngComm","2012","14","20","6515","","10.1039/c2ce25708d","","","0.71073","MoKα","","0.09","0.0871","","","0.2165","0.218","","","","","","1.208","","","","has coordinates,has disorder","180418","2020-10-21","18:00:00",""
"7208743","8.1769","0.0013","10.2311","0.0016","13.132","0.002","77.649","0.007","83.949","0.008","78.854","0.007","1050.6","0.3","172","2","172","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H22 Hg N4 O6 S2 -","- C18 H22 Hg N4 O6 S2 -","- C36 H44 Hg2 N8 O12 S4 -","2","1","","Park, Sunhong; Lee, Seul-Gi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sun","Macrocycles incorporating isomeric arms: synthesis and crystal structures of ligands and their mono-, di- and polynuclear supramolecular complexes","CrystEngComm","2012","14","20","6515","","10.1039/c2ce25708d","","","0.71073","MoKα","","0.0412","0.0358","","","0.1128","0.1402","","","","","","0.912","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208744","8.41","0.0008","9.2205","0.001","15.1951","0.0017","90","","93.107","0.005","90","","1176.6","0.2","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C18 H24 Cl2 Cu N2 O9 S2 -","- C18 H24 Cl2 Cu N2 O9 S2 -","- C36 H48 Cl4 Cu2 N4 O18 S4 -","2","1","","Park, Sunhong; Lee, Seul-Gi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sun","Macrocycles incorporating isomeric arms: synthesis and crystal structures of ligands and their mono-, di- and polynuclear supramolecular complexes","CrystEngComm","2012","14","20","6515","","10.1039/c2ce25708d","","","0.71073","MoKα","","0.0533","0.052","","","0.1456","0.147","","","","","","1.03","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208745","16.5333","0.0012","10.1786","0.0007","16.9387","0.0012","90","","117.185","0.003","90","","2535.7","0.3","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H24 Cl2 N2 O9 Pb S2 -","- C19 H24 Cl2 N2 O9 Pb S2 -","- C76 H96 Cl8 N8 O36 Pb4 S8 -","4","1","","Park, Sunhong; Lee, Seul-Gi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sun","Macrocycles incorporating isomeric arms: synthesis and crystal structures of ligands and their mono-, di- and polynuclear supramolecular complexes","CrystEngComm","2012","14","20","6515","","10.1039/c2ce25708d","","","0.71073","MoKα","","0.0297","0.0286","","","0.0835","0.0843","","","","","","1.076","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208746","5.48888","0.00009","5.4611","0.00009","24.9512","0.0004","90","","90","","90","","747.92","0.02","298","","298","","","","","","","","","4","A 21 a m","A -2 2a","36","","","","- Bi2.5 Na0.5 Nb2 O9 -","- Bi2.5 Na0.5 Nb2 O9 -","- Bi10 Na2 Nb8 O36 -","4","0.5","","Long, Changbai; Fan, Huiqing; Li, Mengmeng; Li, Qiang","Effect of lanthanum and tungsten co-substitution on the structure and properties of new Aurivillius oxides Na0.5La0.5Bi2Nb2-xWxO9","CrystEngComm","2012","14","21","7201","","10.1039/c2ce25718a","powder diffraction","","1.5406","CuKα1","","","0.0768","","","","0.1009","","","1.2","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208747","5.49254","0.00012","5.47896","0.00013","24.8632","0.0005","90","","90","","90","","748.22","0.03","298","","298","","","","","","","","","5","A 21 a m","A -2 2a","36","","","","- Bi2 La0.5 Na0.5 Nb2 O9 -","- Bi2.0002 La0.4996 Na0.5 Nb2 O9 -","- Bi8.0008 La1.9984 Na2 Nb8 O36 -","4","0.5","","Long, Changbai; Fan, Huiqing; Li, Mengmeng; Li, Qiang","Effect of lanthanum and tungsten co-substitution on the structure and properties of new Aurivillius oxides Na0.5La0.5Bi2Nb2-xWxO9","CrystEngComm","2012","14","21","7201","","10.1039/c2ce25718a","powder diffraction","","1.5406","CuKα1","","","0.0876","","","","0.1122","","","1.3","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208748","5.48754","0.00008","5.47967","0.00009","24.8523","0.0004","90","","90","","90","","747.31","0.02","298","","298","","","","","","","","","6","A 21 a m","A -2 2a","36","","","","- Bi2 La0.5 Na0.5 Nb1.972 O9 W0.023 -","- Bi2 La0.5002 Na0.5001 Nb1.972 O9 W0.024 -","- Bi8 La2.0008 Na2.0004 Nb7.888 O36 W0.096 -","4","0.5","","Long, Changbai; Fan, Huiqing; Li, Mengmeng; Li, Qiang","Effect of lanthanum and tungsten co-substitution on the structure and properties of new Aurivillius oxides Na0.5La0.5Bi2Nb2-xWxO9","CrystEngComm","2012","14","21","7201","","10.1039/c2ce25718a","powder diffraction","","1.5406","CuKα1","","","0.0713","","","","0.0914","","","1.31","","","","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208749","11.1768","0.0005","12.2798","0.0007","13.8457","0.0005","92.345","0.004","101.299","0.004","110.315","0.005","1735.26","0.16","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H36 Cu3 Mo12 N18 O40 P -","- C36 H36 Cu3 Mo12 N18 O40 P -","- C36 H36 Cu3 Mo12 N18 O40 P -","1","0.5","","Hao, Xiu-Li; Ma, Yuan-Yuan; Zhang, Chen; Wang, Qian; Cheng, Xin; Wang, Yong-Hui; Li, Yang-Guang; Wang, En-Bo","Assembly of new organic‒inorganic hybrids based on copper-bis(triazole) complexes and Keggin-type polyoxometalates with different negative charges","CrystEngComm","2012","14","20","6573","","10.1039/c2ce25747e","","","0.71073","MoKα","","0.0765","0.035","","","0.0391","0.0417","","","","","","0.806","","","","has coordinates,has disorder","180418","2020-10-21","18:00:00",""
"7208750","11.79","0.002","12.562","0.003","13.051","0.003","81.35","0.03","71.88","0.03","72.32","0.03","1747","0.8","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H43 Cu2 Mo12 N18 O42.5 Si -","- C36 H38 Cu2 Mo12 N18 O42.5 Si -","- C36 H38 Cu2 Mo12 N18 O42.5 Si -","1","0.5","","Hao, Xiu-Li; Ma, Yuan-Yuan; Zhang, Chen; Wang, Qian; Cheng, Xin; Wang, Yong-Hui; Li, Yang-Guang; Wang, En-Bo","Assembly of new organic‒inorganic hybrids based on copper-bis(triazole) complexes and Keggin-type polyoxometalates with different negative charges","CrystEngComm","2012","14","20","6573","","10.1039/c2ce25747e","","","0.71073","MoKα","","0.086","0.0772","","","0.1722","0.178","","","","","","1.08","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7208751","14.0334","0.0009","14.4092","0.0009","15.3559","0.0009","87.956","0.001","62.931","0.001","72.497","0.001","2618.2","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H76 Cu6 N36 O42 Si W12 -","- C72 H72 Cu6 N36 O42 Si W12 -","- C72 H72 Cu6 N36 O42 Si W12 -","1","0.5","","Hao, Xiu-Li; Ma, Yuan-Yuan; Zhang, Chen; Wang, Qian; Cheng, Xin; Wang, Yong-Hui; Li, Yang-Guang; Wang, En-Bo","Assembly of new organic‒inorganic hybrids based on copper-bis(triazole) complexes and Keggin-type polyoxometalates with different negative charges","CrystEngComm","2012","14","20","6573","","10.1039/c2ce25747e","","","0.71073","MoKα","","0.0529","0.0418","","","0.0867","0.0939","","","","","","1.075","","","","has coordinates,has disorder","180418","2020-10-21","18:00:00",""
"7208752","10.343","0.0011","10.4839","0.0011","11.3463","0.0012","90","","91.229","0.003","90","","1230.1","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H28 N2 O8 -","- C24 H28 N2 O8 -","- C48 H56 N4 O16 -","2","1","","Jana, Poulami; Maity, Sibaprasad; Maity, Suman Kumar; Ghorai, Pradip Kumar; Haldar, Debasish","Insights into H-aggregates and CH⋯O hydrogen bond mediated self-assembly of pyromellitic bisimide","CrystEngComm","2012","14","20","6586","","10.1039/c2ce25778e","","","0.71073","MoKα","","0.0534","0.0468","","","0.1211","0.126","","","","","","1.027","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208753","13.218","0.004","5.8309","0.0018","18.241","0.006","90","","108.237","0.015","90","","1335.3","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 N2 O8 -","- C30 H24 N2 O8 -","- C60 H48 N4 O16 -","2","0.5","","Jana, Poulami; Maity, Sibaprasad; Maity, Suman Kumar; Ghorai, Pradip Kumar; Haldar, Debasish","Insights into H-aggregates and CH⋯O hydrogen bond mediated self-assembly of pyromellitic bisimide","CrystEngComm","2012","14","20","6586","","10.1039/c2ce25778e","","","0.71073","MoKα","","0.0568","0.0372","","","0.0851","0.0983","","","","","","1.052","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208754","13.257","0.003","18.326","0.004","7.1499","0.0014","90","","115.93","0.03","90","","1562.2","0.7","295","2","295","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C12 H32 Mg2 O28 S4 -","- C12 H32 Mg2 O28 S4 -","- C24 H64 Mg4 O56 S8 -","2","0.25","","Zhu, Zhi-Biao; Wan, Wang; Deng, Zhao-Peng; Ge, Zhong-Yi; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Structure modulations in luminescent alkaline earth metal-sulfonate complexes constructed from dihydroxyl-1,5-benzenedisulfonic acid: Influences of metal cations, coordination modes and pH value","CrystEngComm","2012","14","20","6675","","10.1039/c2ce25784j","","","0.71073","MoKα","","0.0969","0.0727","","","0.1861","0.2118","","","","","","1.016","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208755","8.2224","0.0016","8.8596","0.0018","10.543","0.002","87.39","0.03","68.54","0.03","77.46","0.03","697.2","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H12 Ca O12 S2 -","- C6 H12 Ca O12 S2 -","- C12 H24 Ca2 O24 S4 -","2","1","","Zhu, Zhi-Biao; Wan, Wang; Deng, Zhao-Peng; Ge, Zhong-Yi; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Structure modulations in luminescent alkaline earth metal-sulfonate complexes constructed from dihydroxyl-1,5-benzenedisulfonic acid: Influences of metal cations, coordination modes and pH value","CrystEngComm","2012","14","20","6675","","10.1039/c2ce25784j","","","0.71073","MoKα","","0.0757","0.0742","","","0.0985","0.1237","","","","","","1.046","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208756","12.88","0.003","17.407","0.004","16.87","0.003","90","","90","","90","","3782.3","1.4","295","2","295","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C6 H21 Ca2 O17.5 S2 -","- C6 H21 Ca2 O17.5 S2 -","- C48 H168 Ca16 O140 S16 -","8","1","","Zhu, Zhi-Biao; Wan, Wang; Deng, Zhao-Peng; Ge, Zhong-Yi; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Structure modulations in luminescent alkaline earth metal-sulfonate complexes constructed from dihydroxyl-1,5-benzenedisulfonic acid: Influences of metal cations, coordination modes and pH value","CrystEngComm","2012","14","20","6675","","10.1039/c2ce25784j","","","0.71073","MoKα","","0.0453","0.0433","","","0.1293","0.1306","","","","","","1.076","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7208757","21.868","0.004","17.015","0.003","7.9824","0.0016","90","","93.2","0.03","90","","2965.5","1","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H12 O12 S2 Sr -","- C6 H12 O12 S2 Sr -","- C48 H96 O96 S16 Sr8 -","8","1","","Zhu, Zhi-Biao; Wan, Wang; Deng, Zhao-Peng; Ge, Zhong-Yi; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Structure modulations in luminescent alkaline earth metal-sulfonate complexes constructed from dihydroxyl-1,5-benzenedisulfonic acid: Influences of metal cations, coordination modes and pH value","CrystEngComm","2012","14","20","6675","","10.1039/c2ce25784j","","","0.71073","MoKα","","0.0744","0.0595","","","0.1339","0.1457","","","","","","1.006","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208758","19.134","0.004","8.1984","0.0016","19.519","0.004","90","","90","","90","","3061.9","1.1","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H12 O13 S2 Sr2 -","- C6 H12 O13 S2 Sr2 -","- C48 H96 O104 S16 Sr16 -","8","1","","Zhu, Zhi-Biao; Wan, Wang; Deng, Zhao-Peng; Ge, Zhong-Yi; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Structure modulations in luminescent alkaline earth metal-sulfonate complexes constructed from dihydroxyl-1,5-benzenedisulfonic acid: Influences of metal cations, coordination modes and pH value","CrystEngComm","2012","14","20","6675","","10.1039/c2ce25784j","","","0.71073","MoKα","","0.0718","0.0576","","","0.1452","0.1568","","","","","","1.052","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208759","19.875","0.004","7.8394","0.0016","8.8456","0.0018","90","","90","","90","","1378.2","0.5","295","2","295","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C6 H12 Ba O12 S2 -","- C6 H12 Ba O12 S2 -","- C24 H48 Ba4 O48 S8 -","4","1","","Zhu, Zhi-Biao; Wan, Wang; Deng, Zhao-Peng; Ge, Zhong-Yi; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Structure modulations in luminescent alkaline earth metal-sulfonate complexes constructed from dihydroxyl-1,5-benzenedisulfonic acid: Influences of metal cations, coordination modes and pH value","CrystEngComm","2012","14","20","6675","","10.1039/c2ce25784j","","","0.71073","MoKα","","0.0318","0.0315","","","0.0745","0.0747","","","","","","1.089","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208760","5.8767","0.0012","16.476","0.003","7.5012","0.0015","90","","94.47","0.03","90","","724.1","0.2","295","2","295","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C3 H5 Ba O6 S -","- C3 H5 Ba O6 S -","- C12 H20 Ba4 O24 S4 -","4","1","","Zhu, Zhi-Biao; Wan, Wang; Deng, Zhao-Peng; Ge, Zhong-Yi; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Structure modulations in luminescent alkaline earth metal-sulfonate complexes constructed from dihydroxyl-1,5-benzenedisulfonic acid: Influences of metal cations, coordination modes and pH value","CrystEngComm","2012","14","20","6675","","10.1039/c2ce25784j","","","0.71073","MoKα","","0.0312","0.03","","","0.0756","0.0764","","","","","","1.056","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208761","11.2814","0.0012","9.9474","0.0011","13.2863","0.0015","90","","108.784","0.001","90","","1411.6","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H6 Br2 Cd N2 O4 -","- C12 H6 Br2 Cd N2 O4 -","- C48 H24 Br8 Cd4 N8 O16 -","4","1","","Calahorro, Antonio J.; López-Viseras, Marta E.; Salinas-Castillo, Alfonso; Fairen-Jimenez, David; Colacio, Enrique; Cano, Joan; Rodríguez-Diéguez, Antonio","Novel metal‒organic frameworks based on 5-bromonicotinic acid: Multifunctional materials with H2 purification capabilities","CrystEngComm","2012","14","20","6390","","10.1039/c2ce25807b","","","0.71073","MoKα","","0.0423","0.0323","","","0.0723","0.0772","","","","","","1.021","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208762","15.0926","0.0018","16.9747","0.0018","14.44","0.0016","90","","120.52","0.04","90","","3186.9","1.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H14 Br4 Co2 N4 O9 -","- C24 H14 Br4 Co2 N4 O9 -","- C96 H56 Br16 Co8 N16 O36 -","4","0.5","","Calahorro, Antonio J.; López-Viseras, Marta E.; Salinas-Castillo, Alfonso; Fairen-Jimenez, David; Colacio, Enrique; Cano, Joan; Rodríguez-Diéguez, Antonio","Novel metal‒organic frameworks based on 5-bromonicotinic acid: Multifunctional materials with H2 purification capabilities","CrystEngComm","2012","14","20","6390","","10.1039/c2ce25807b","","","0.71073","MoKα","","0.0923","0.0669","","","0.204","0.2289","","","","","","1.064","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208763","6.7842","0.0019","7.258","0.002","21.155","0.006","90","","96.751","0.008","90","","1034.4","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 N4 O -","- C10 H12 N4 O -","- C40 H48 N16 O4 -","4","1","","Jordão, Alessandro K.; Ferreira, Vitor F.; Cunha, Anna C.; Wardell, James L.; Wardell, Solange M. S. V.; Tiekink, Edward R. T.","The differing influence of halides upon supramolecular aggregation through C‒X⋯π interactions in the crystal structures of (5-methyl-1-(4-X-arylamino)-1H-1,2,3-triazol-4-yl)methanol derivatives, X = H, F and Cl","CrystEngComm","2012","14","20","6534","","10.1039/c2ce25841b","","","0.71069","MoKα","","0.0534","0.0525","","","0.1449","0.1454","","","","","","1.153","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208764","13.4975","0.0006","6.642","0.0002","13.5534","0.0006","90","","118.641","0.002","90","","1066.39","0.08","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H11 F N4 O -","- C10 H11 F N4 O -","- C40 H44 F4 N16 O4 -","4","1","","Jordão, Alessandro K.; Ferreira, Vitor F.; Cunha, Anna C.; Wardell, James L.; Wardell, Solange M. S. V.; Tiekink, Edward R. T.","The differing influence of halides upon supramolecular aggregation through C‒X⋯π interactions in the crystal structures of (5-methyl-1-(4-X-arylamino)-1H-1,2,3-triazol-4-yl)methanol derivatives, X = H, F and Cl","CrystEngComm","2012","14","20","6534","","10.1039/c2ce25841b","","","0.71073","MoKα","","0.0672","0.0541","","","0.1112","0.1202","","","","","","1.075","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208765","13.4984","0.0008","6.6361","0.0004","14.0835","0.0005","90","","118.38","0.003","90","","1109.93","0.11","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 Cl N4 O -","- C10 H11 Cl N4 O -","- C40 H44 Cl4 N16 O4 -","4","1","","Jordão, Alessandro K.; Ferreira, Vitor F.; Cunha, Anna C.; Wardell, James L.; Wardell, Solange M. S. V.; Tiekink, Edward R. T.","The differing influence of halides upon supramolecular aggregation through C‒X⋯π interactions in the crystal structures of (5-methyl-1-(4-X-arylamino)-1H-1,2,3-triazol-4-yl)methanol derivatives, X = H, F and Cl","CrystEngComm","2012","14","20","6534","","10.1039/c2ce25841b","","","0.71073","MoKα","","0.0859","0.0483","","","0.1133","0.1332","","","","","","1.019","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208766","13.4204","0.0006","16.5076","0.0007","28.1263","0.0013","90","","90","","90","","6231.1","0.5","273","2","273","2","","","","","","","","5","I b c a","-I 2b 2c","73","(24-crown-8) tetrasilver nitrate","(24-crown-8) tetrasilver nitrate","","- C8 H16 Ag2 N2 O10 -","- C8 H16 Ag2 N2 O10 -","- C128 H256 Ag32 N32 O160 -","16","1","","Girard, Jerome; Fromm, Katharina","Single crystal to single crystal polymorphic phase transition of a silver nitrate 24-crown-8 complex and its pseudo-polymorphism","CrystEngComm","2012","14","20","6487","","10.1039/c2ce25875g","","x-ray","0.71073","MoKα","","0.0464","0.0365","","","0.0753","0.0785","","","","","","1.07","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208767","16.3286","0.0008","13.4452","0.0005","28.0645","0.0014","90","","90.8","0.004","90","","6160.7","0.5","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(24-crown-8) tetrasilver nitrate","(24-crown-8) tetrasilver nitrate","","- C32 H64 Ag8 N8 O40 -","- C32 H64 Ag8 N8 O40 -","- C128 H256 Ag32 N32 O160 -","4","1","","Girard, Jerome; Fromm, Katharina","Single crystal to single crystal polymorphic phase transition of a silver nitrate 24-crown-8 complex and its pseudo-polymorphism","CrystEngComm","2012","14","20","6487","","10.1039/c2ce25875g","","x-ray","0.71073","MoKα","","0.091","0.0438","","","0.0881","0.0973","","","","","","0.865","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208768","12.1262","0.0013","17.6035","0.0016","14.7902","0.0012","90","","93.461","0.008","90","","3151.4","0.5","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(24-crown-8) tetrasilver nitrate dihydrate","(24-crown-8) tetrasilver nitrate dihydrate","","- C16 H36 Ag4 N4 O22 -","- C16 H36 Ag4 N4 O22 -","- C64 H144 Ag16 N16 O88 -","4","0.5","","Girard, Jerome; Fromm, Katharina","Single crystal to single crystal polymorphic phase transition of a silver nitrate 24-crown-8 complex and its pseudo-polymorphism","CrystEngComm","2012","14","20","6487","","10.1039/c2ce25875g","","x-ray","0.71073","MoKα","","0.0481","0.036","","","0.0939","0.101","","","","","","1.071","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208769","7.778","0.002","22.865","0.007","16.384","0.005","90","","99.471","0.005","90","","2874.1","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H23 N3 O8 Zn2 -","- C33 H23 N3 O8 Zn2 -","- C132 H92 N12 O32 Zn8 -","4","1","","Zhang, Shu-quan; Jiang, Fei-long; Bu, Yang; Wu, Ming-yan; Ma, Jie; Shan, Xiao-chen; Xiong, Ke-cai; Hong, Mao-chun","Two dual-emissive Zn(ii) coordination polymers with tunable photoluminescence properties","CrystEngComm","2012","14","20","6394","","10.1039/c2ce25880c","","","0.71073","MoKα","","0.0462","0.0393","","","0.1068","0.1131","","","","","","1.014","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208770","11.697","0.002","14.521","0.003","14.76","0.003","73.646","0.004","73.937","0.005","87.731","0.007","2309.7","0.8","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H38 N4 O15 Zn2 -","- C54 H38 N4 O15 Zn2 -","- C108 H76 N8 O30 Zn4 -","2","1","","Zhang, Shu-quan; Jiang, Fei-long; Bu, Yang; Wu, Ming-yan; Ma, Jie; Shan, Xiao-chen; Xiong, Ke-cai; Hong, Mao-chun","Two dual-emissive Zn(ii) coordination polymers with tunable photoluminescence properties","CrystEngComm","2012","14","20","6394","","10.1039/c2ce25880c","","","0.71073","MoKα","","0.0637","0.045","","","0.0927","0.1","","","","","","0.935","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208771","31.956","0.011","13.755","0.004","16.234","0.006","90","","118.944","0.003","90","","6244","4","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H35.5 N6 Ni O6.25 -","- C34 H35.5 N6 Ni O6.25 -","- C272 H284 N48 Ni8 O50 -","8","1","","Zhao, Fang-Hua; Che, Yun-Xia; Zheng, Ji-Min","A 2D→3D net with coexistence of polycatenation and polythreading constructed by long rigid and flexible ligands","CrystEngComm","2012","14","20","6397","","10.1039/c2ce25911g","","","0.71073","MoKα","","0.0544","0.0435","","","0.1142","0.1213","","","","","","1.008","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208772","34.628","0.002","18.2216","0.0006","23.1357","0.0018","90","","118.404","0.009","90","","12840.7","1.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H48 Cd3 Cl3 N5 O21.5 -","- C42 H33 Cd3 Cl3 N5 O15 -","- C336 H264 Cd24 Cl24 N40 O120 -","8","1","","Kyprianidou, Eleni J.; Papaefstathiou, Giannis S.; Manos, Manolis J.; Tasiopoulos, Anastasios J.","A flexible Cd2+ metal organic framework with a unique (3,3,6)-connected topology, unprecedented secondary building units and single crystal to single crystal solvent exchange properties","CrystEngComm","2012","14","24","8368","","10.1039/c2ce25913c","","","0.71073","MoKα","","0.1183","0.092","","","0.2796","0.3136","","","","","","1.188","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7208773","35.319","0.003","18.2332","0.001","23.452","0.002","90","","120.172","0.01","90","","13056","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H60 Cd3 N5 O15 -","- C68 H60 Cd3 N5 O15 -","- C544 H480 Cd24 N40 O120 -","8","1","","Kyprianidou, Eleni J.; Papaefstathiou, Giannis S.; Manos, Manolis J.; Tasiopoulos, Anastasios J.","A flexible Cd2+ metal organic framework with a unique (3,3,6)-connected topology, unprecedented secondary building units and single crystal to single crystal solvent exchange properties","CrystEngComm","2012","14","24","8368","","10.1039/c2ce25913c","","","0.71073","MoKα","","0.0829","0.0694","","","0.1849","0.1926","","","","","","1.094","","","","has coordinates,has disorder","180418","2020-10-21","18:00:00",""
"7208774","34.799","0.002","18.4666","0.0011","23.031","0.002","90","","118.787","0.01","90","","12971","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H58 Cd3 N5 O23 -","- C48 H40 Cd3 N5 O15 -","- C384 H320 Cd24 N40 O120 -","8","1","","Kyprianidou, Eleni J.; Papaefstathiou, Giannis S.; Manos, Manolis J.; Tasiopoulos, Anastasios J.","A flexible Cd2+ metal organic framework with a unique (3,3,6)-connected topology, unprecedented secondary building units and single crystal to single crystal solvent exchange properties","CrystEngComm","2012","14","24","8368","","10.1039/c2ce25913c","","","1.54184","CuKα","","0.0783","0.0724","","","0.2118","0.2207","","","","","","1.069","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208775","34.0339","0.001","18.7606","0.0004","22.3666","0.0007","90","","116.429","0.004","90","","12788.4","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H60 Cd3 N6 O26 -","- C44 H40 Cd3 N6 O16 -","- C352 H320 Cd24 N48 O128 -","8","1","","Kyprianidou, Eleni J.; Papaefstathiou, Giannis S.; Manos, Manolis J.; Tasiopoulos, Anastasios J.","A flexible Cd2+ metal organic framework with a unique (3,3,6)-connected topology, unprecedented secondary building units and single crystal to single crystal solvent exchange properties","CrystEngComm","2012","14","24","8368","","10.1039/c2ce25913c","","","0.71073","MoKα","","0.0976","0.0608","","","0.1555","0.172","","","","","","0.963","","","","has coordinates,has disorder","180418","2020-10-21","18:00:00",""
"7208776","33.943","0.002","18.5224","0.0011","21.2174","0.0018","90","","116.291","0.009","90","","11959.6","1.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H56 Cd3 N5 O26 -","- C41 H26 Cd3 N5 O15 -","- C328 H208 Cd24 N40 O120 -","8","1","","Kyprianidou, Eleni J.; Papaefstathiou, Giannis S.; Manos, Manolis J.; Tasiopoulos, Anastasios J.","A flexible Cd2+ metal organic framework with a unique (3,3,6)-connected topology, unprecedented secondary building units and single crystal to single crystal solvent exchange properties","CrystEngComm","2012","14","24","8368","","10.1039/c2ce25913c","","","0.71073","MoKα","","0.1729","0.1416","","","0.3656","0.3967","","","","","","1.305","","","","has coordinates,has disorder","180418","2020-10-21","18:00:00",""
"7208777","10.635","0.009","15.32","0.013","15.753","0.013","82.79","0.009","73.747","0.009","73.244","0.01","2357","3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H58 N8 Nd2 O28 S7 -","- C14 H58 N8 Nd2 O28 S7 -","- C28 H116 N16 Nd4 O56 S14 -","2","1","","Zhang, Deng; Lu, Yun; Chen, Lei; Cai, Hu; Zhu, Dunru; Xu, Yan","A series of new rare earth sulfates based on lanthanide contraction and dual organic-amine templating effects","CrystEngComm","2012","14","20","6627","","10.1039/c2ce25937k","","","0.71073","MoKα","","0.0774","0.0529","","","0.1618","0.1796","","","","","","1.184","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"7208778","9.6036","0.0008","10.449","0.0009","10.5171","0.0009","72.164","0.001","72.66","0.001","75.19","0.001","943.18","0.14","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H24 Eu N3 O12 S3 -","- C6 H24 Eu N3 O12 S3 -","- C12 H48 Eu2 N6 O24 S6 -","2","1","","Zhang, Deng; Lu, Yun; Chen, Lei; Cai, Hu; Zhu, Dunru; Xu, Yan","A series of new rare earth sulfates based on lanthanide contraction and dual organic-amine templating effects","CrystEngComm","2012","14","20","6627","","10.1039/c2ce25937k","","","0.71073","MoKα","","0.0232","0.0226","","","0.0638","0.0642","","","","","","1.239","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7208779","10.9333","0.0009","10.2837","0.0009","31.318","0.003","90","","90","","90","","3521.2","0.5","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C5 H21 Eu N3 O12 S3 -","- C5 H21 Eu N3 O12 S3 -","- C40 H168 Eu8 N24 O96 S24 -","8","1","","Zhang, Deng; Lu, Yun; Chen, Lei; Cai, Hu; Zhu, Dunru; Xu, Yan","A series of new rare earth sulfates based on lanthanide contraction and dual organic-amine templating effects","CrystEngComm","2012","14","20","6627","","10.1039/c2ce25937k","","","0.71073","MoKα","","0.0371","0.0307","","","0.0789","0.081","","","","","","1.144","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7208780","10.9321","0.0017","10.272","0.0016","31.325","0.005","90","","90","","90","","3517.6","1","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C5 H21 Gd N3 O12 S3 -","- C5 H21 Gd N3 O12 S3 -","- C40 H168 Gd8 N24 O96 S24 -","8","1","","Zhang, Deng; Lu, Yun; Chen, Lei; Cai, Hu; Zhu, Dunru; Xu, Yan","A series of new rare earth sulfates based on lanthanide contraction and dual organic-amine templating effects","CrystEngComm","2012","14","20","6627","","10.1039/c2ce25937k","","","0.71073","MoKα","","0.0452","0.0314","","","0.0679","0.0717","","","","","","1.016","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7208781","10.919","0.004","10.236","0.003","31.206","0.01","90","","90","","90","","3488","2","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C5 H21 N3 O12 S3 Tb -","- C5 H21 N3 O12 S3 Tb -","- C40 H168 N24 O96 S24 Tb8 -","8","1","","Zhang, Deng; Lu, Yun; Chen, Lei; Cai, Hu; Zhu, Dunru; Xu, Yan","A series of new rare earth sulfates based on lanthanide contraction and dual organic-amine templating effects","CrystEngComm","2012","14","20","6627","","10.1039/c2ce25937k","","","0.71073","MoKα","","0.0369","0.0261","","","0.0656","0.0703","","","","","","0.978","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7208782","9.832","0.005","11.001","0.006","15.288","0.008","70.555","0.006","75.366","0.007","67.367","0.005","1424.4","1.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H32 Dy2 N4 O20 S5 -","- C8 H32 Dy2 N4 O20 S5 -","- C16 H64 Dy4 N8 O40 S10 -","2","1","","Zhang, Deng; Lu, Yun; Chen, Lei; Cai, Hu; Zhu, Dunru; Xu, Yan","A series of new rare earth sulfates based on lanthanide contraction and dual organic-amine templating effects","CrystEngComm","2012","14","20","6627","","10.1039/c2ce25937k","","","0.71073","MoKα","","0.1083","0.0749","","","0.1834","0.1991","","","","","","1.066","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208783","8.726","0.0018","9.828","0.002","13.475","0.003","99.102","0.002","92.703","0.003","115.764","0.002","1018.9","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H50 Dy2 N10 O32 S8 -","- C10 H50 Dy2 N10 O32 S8 -","- C10 H50 Dy2 N10 O32 S8 -","1","0.5","","Zhang, Deng; Lu, Yun; Chen, Lei; Cai, Hu; Zhu, Dunru; Xu, Yan","A series of new rare earth sulfates based on lanthanide contraction and dual organic-amine templating effects","CrystEngComm","2012","14","20","6627","","10.1039/c2ce25937k","","","0.71073","MoKα","","0.0541","0.0428","","","0.0984","0.1029","","","","","","1.012","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208784","8.734","0.002","9.824","0.003","13.466","0.004","99.028","0.003","92.819","0.003","115.737","0.003","1018.9","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H50 Ho2 N10 O32 S8 -","- C10 H50 Ho2 N10 O32 S8 -","- C10 H50 Ho2 N10 O32 S8 -","1","0.5","","Zhang, Deng; Lu, Yun; Chen, Lei; Cai, Hu; Zhu, Dunru; Xu, Yan","A series of new rare earth sulfates based on lanthanide contraction and dual organic-amine templating effects","CrystEngComm","2012","14","20","6627","","10.1039/c2ce25937k","","","0.71073","MoKα","","0.0307","0.0267","","","0.0596","0.0611","","","","","","1","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208785","8.7375","0.0018","9.817","0.002","13.443","0.003","98.975","0.002","92.892","0.002","115.75","0.002","1016.8","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H50 Er2 N10 O32 S8 -","- C10 H50 Er2 N10 O32 S8 -","- C10 H50 Er2 N10 O32 S8 -","1","0.5","","Zhang, Deng; Lu, Yun; Chen, Lei; Cai, Hu; Zhu, Dunru; Xu, Yan","A series of new rare earth sulfates based on lanthanide contraction and dual organic-amine templating effects","CrystEngComm","2012","14","20","6627","","10.1039/c2ce25937k","","","0.71073","MoKα","","0.0234","0.0221","","","0.0574","0.0579","","","","","","1.199","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7208786","8.727","0.004","9.793","0.004","13.407","0.009","99.014","0.007","93.045","0.007","115.736","0.004","1009.9","0.9","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H50 N10 O32 S8 Tm2 -","- C10 H50 N10 O32 S8 Tm2 -","- C10 H50 N10 O32 S8 Tm2 -","1","0.5","","Zhang, Deng; Lu, Yun; Chen, Lei; Cai, Hu; Zhu, Dunru; Xu, Yan","A series of new rare earth sulfates based on lanthanide contraction and dual organic-amine templating effects","CrystEngComm","2012","14","20","6627","","10.1039/c2ce25937k","","","0.71073","MoKα","","0.0368","0.0315","","","0.065","0.0669","","","","","","1.024","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7208787","8.744","0.01","9.802","0.012","13.444","0.016","99.049","0.013","93.013","0.013","115.786","0.013","1015","2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H50 N10 O32 S8 Yb2 -","- C10 H50 N10 O32 S8 Yb2 -","- C10 H50 N10 O32 S8 Yb2 -","1","0.5","","Zhang, Deng; Lu, Yun; Chen, Lei; Cai, Hu; Zhu, Dunru; Xu, Yan","A series of new rare earth sulfates based on lanthanide contraction and dual organic-amine templating effects","CrystEngComm","2012","14","20","6627","","10.1039/c2ce25937k","","","0.71073","MoKα","","0.0374","0.0326","","","0.0706","0.0752","","","","","","1.171","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208788","8.7343","0.0006","9.785","0.0007","13.3866","0.0014","98.95","0.001","93.16","0.001","115.715","0.001","1008.52","0.15","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H50 Lu2 N10 O32 S8 -","- C10 H50 Lu2 N10 O32 S8 -","- C10 H50 Lu2 N10 O32 S8 -","1","0.5","","Zhang, Deng; Lu, Yun; Chen, Lei; Cai, Hu; Zhu, Dunru; Xu, Yan","A series of new rare earth sulfates based on lanthanide contraction and dual organic-amine templating effects","CrystEngComm","2012","14","20","6627","","10.1039/c2ce25937k","","","0.71073","MoKα","","0.0292","0.0259","","","0.0586","0.0598","","","","","","1.043","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7208789","7.6843","0.0005","5.5794","0.0004","9.4459","0.0007","90","","100.949","0.004","90","","397.61","0.05","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","1-H-Tetrazole, 1-(Phenylmethyl)","1-H-Tetrazole, 1-(Phenylmethyl)","","- C8 H8 N4 -","- C8 H8 N4 -","- C16 H16 N8 -","2","1","","Spencer, John; Patel, Hiren; Deadman, John J.; Palmer, Rex A.; Male, Louise; Coles, Simon J.; Uzoh, Ogaga G.; Price, Sarah L.","The unexpected but predictable tetrazole packing in flexible 1-benzyl-1H-tetrazole","CrystEngComm","2012","14","20","6441","","10.1039/c2ce25940k","","","0.71073","MoKα","","0.0694","0.0447","","","0.0786","0.087","","","","","","1.081","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208790","25.759","0.0008","13.593","0.0004","27.142","0.0008","90","","116.68","","90","","8491.7","0.4","187","2","187","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C56 H56 Ag4 N16 O40 Si W12 -","- C56 H56 Ag4 N16 O40 Si W12 -","- C224 H224 Ag16 N64 O160 Si4 W48 -","4","0.5","","Zhu, Min; Su, Sheng-Qun; Song, Xue-Zhi; Hao, Zhao-Min; Song, Shu-Yan; Zhang, Hong-Jie","A series of POM/Ag-based hybrids: distinct forms and assembly of [AgxLy] complexes through combinational effects of POM and isomeric ligands","CrystEngComm","2012","14","20","6452","","10.1039/c2ce25979f","","","0.71069","MoKα","","0.0446","0.0326","","","0.0708","0.0763","","","","","","1.02","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208791","12.5035","0.0004","13.6536","0.0005","14.4885","0.0005","115.173","0.001","91.44","0.001","107.595","0.001","2099.67","0.13","187","2","187","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H56 Ag4 N16 O40 Si W12 -","- C56 H56 Ag4 N16 O40 Si W12 -","- C56 H56 Ag4 N16 O40 Si W12 -","1","0.5","","Zhu, Min; Su, Sheng-Qun; Song, Xue-Zhi; Hao, Zhao-Min; Song, Shu-Yan; Zhang, Hong-Jie","A series of POM/Ag-based hybrids: distinct forms and assembly of [AgxLy] complexes through combinational effects of POM and isomeric ligands","CrystEngComm","2012","14","20","6452","","10.1039/c2ce25979f","","","0.71073","MoKα","","0.043","0.0335","","","0.0753","0.0803","","","","","","1.046","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208792","15.087","0.0008","15.343","0.0008","26.042","0.0014","95.941","0.001","100.639","0.001","115.479","0.001","5233.5","0.5","187","2","187","2","","","","","","","","8","P -1","-P 1","2","","","","- C112 H162.2 Ag7 N32 Na2 O147.6 P4 W36 -","- C112 H112 Ag7 N32 Na2 O126 P4 W36 -","- C112 H112 Ag7 N32 Na2 O126 P4 W36 -","1","0.5","","Zhu, Min; Su, Sheng-Qun; Song, Xue-Zhi; Hao, Zhao-Min; Song, Shu-Yan; Zhang, Hong-Jie","A series of POM/Ag-based hybrids: distinct forms and assembly of [AgxLy] complexes through combinational effects of POM and isomeric ligands","CrystEngComm","2012","14","20","6452","","10.1039/c2ce25979f","","","0.71069","MoKα","","0.0887","0.0555","","","0.1459","0.163","","","","","","0.975","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208793","16.769","0.0006","16.8322","0.0006","21.3485","0.0007","88.713","0.001","82.497","0.001","76.926","0.001","5819.2","0.4","187","2","187","2","","","","","","","","8","P -1","-P 1","2","","","","- C70 H70 Ag5 K2 N20 O64 P2 W18 -","- C70 H70 Ag5 K2 N20 O64 P2 W18 -","- C140 H140 Ag10 K4 N40 O128 P4 W36 -","2","1","","Zhu, Min; Su, Sheng-Qun; Song, Xue-Zhi; Hao, Zhao-Min; Song, Shu-Yan; Zhang, Hong-Jie","A series of POM/Ag-based hybrids: distinct forms and assembly of [AgxLy] complexes through combinational effects of POM and isomeric ligands","CrystEngComm","2012","14","20","6452","","10.1039/c2ce25979f","","","0.71069","MoKα","","0.0564","0.0383","","","0.0967","0.114","","","","","","1.057","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208794","9.613","0.0003","12.409","0.0004","14.163","0.0005","68.306","0.001","76.9","0.001","78.21","","1515.33","0.09","187","2","187","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H44 Ag2 N8 O47.5 P W12 -","- C28 H28 Ag2 N8 O40 P W12 -","- C28 H28 Ag2 N8 O40 P W12 -","1","0.5","","Zhu, Min; Su, Sheng-Qun; Song, Xue-Zhi; Hao, Zhao-Min; Song, Shu-Yan; Zhang, Hong-Jie","A series of POM/Ag-based hybrids: distinct forms and assembly of [AgxLy] complexes through combinational effects of POM and isomeric ligands","CrystEngComm","2012","14","20","6452","","10.1039/c2ce25979f","","","0.71069","MoKα","","0.035","0.0313","","","0.0797","0.0823","","","","","","1.014","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208795","25.907","0.003","11.9344","0.0012","23.796","0.003","90","","114.356","0.002","90","","6702.6","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H56 Ag3 N11 O21 -","- C50 H48 Ag3 N11 O17 -","- C200 H192 Ag12 N44 O68 -","4","0.5","","Yu, Wen-Jing; Yu, Fan; Li, Bao; Zhang, Tianle","Two novel interpenetrating silver(i) coordination architectures modeled by semi-rigid tetra-pyridinate ligands","CrystEngComm","2012","14","24","8396","","10.1039/c2ce26009c","","","0.71073","MoKα","","0.0746","0.0539","","","0.1632","0.1742","","","","","","1.12","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208796","10.0372","0.0009","10.0372","0.0009","17.607","0.004","90","","90","","90","","1773.8","0.5","293","2","293","2","","","","","","","","5","P -4 2 c","P -4 2c","112","","","","- C25 H32 Ag2 N6 O14 -","- C25 H32 Ag2 N6 O13 -","- C50 H64 Ag4 N12 O26 -","2","0.25","","Yu, Wen-Jing; Yu, Fan; Li, Bao; Zhang, Tianle","Two novel interpenetrating silver(i) coordination architectures modeled by semi-rigid tetra-pyridinate ligands","CrystEngComm","2012","14","24","8396","","10.1039/c2ce26009c","","","0.71073","MoKα","","0.0851","0.0789","","","0.1966","0.2046","","","","","","1.148","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208797","10.2262","0.0004","12.7262","0.0005","18.4057","0.0007","108.983","0.002","93.755","0.002","97.731","0.002","2229.16","0.15","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H36 Cd2 N6 O12 -","- C49 H36 Cd2 N6 O12 -","- C98 H72 Cd4 N12 O24 -","2","1","","Xu, Wen-yuan; Tian, Xiao-zhao; Feng, Xue-feng; Huang, Hai-xiao; Sun, Gong-ming; Song, Yu-mei; Luo, Feng","Three new acylamide ligands formed in situ and their application in constructing metal‒organic frameworks","CrystEngComm","2012","14","24","8418","","10.1039/c2ce26034d","","","0.71073","MoKα","","0.0348","0.0293","","","0.0738","0.084","","","","","","1.166","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208798","9.4363","0.0001","9.4363","0.0001","33.2595","0.0006","90","","90","","90","","2961.55","0.07","296","2","296","2","","","","","","","","5","P 43","P 4cw","78","","","","- C34 H22 N4 O6 Zn -","- C34 H22 N4 O6 Zn -","- C136 H88 N16 O24 Zn4 -","4","1","","Xu, Wen-yuan; Tian, Xiao-zhao; Feng, Xue-feng; Huang, Hai-xiao; Sun, Gong-ming; Song, Yu-mei; Luo, Feng","Three new acylamide ligands formed in situ and their application in constructing metal‒organic frameworks","CrystEngComm","2012","14","24","8418","","10.1039/c2ce26034d","","","0.71073","MoKα","","0.0458","0.0382","","","0.0661","0.0707","","","","","","1.079","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208799","9.0717","0.0003","9.5953","0.0003","24.5297","0.0009","79.486","0.002","85.167","0.002","88.973","0.002","2091.88","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H39 Cd N6 O7 -","- C50 H39 Cd N6 O7 -","- C100 H78 Cd2 N12 O14 -","2","1","","Xu, Wen-yuan; Tian, Xiao-zhao; Feng, Xue-feng; Huang, Hai-xiao; Sun, Gong-ming; Song, Yu-mei; Luo, Feng","Three new acylamide ligands formed in situ and their application in constructing metal‒organic frameworks","CrystEngComm","2012","14","24","8418","","10.1039/c2ce26034d","","","0.71073","MoKα","","0.0571","0.0465","","","0.1093","0.1195","","","","","","1.015","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7208800","10.6827","0.0002","14.4414","0.0003","14.6757","0.0003","102.886","0.001","99.604","0.001","104.259","0.001","2079.29","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H70 N12 O29 Zn4 -","- C84 H70 N12 O29 Zn4 -","- C84 H70 N12 O29 Zn4 -","1","0.5","","Huang, Hai-xiao; Luo, Feng; Sun, Gong-ming; Song, Yu-mei; Tian, Xiao-zhao; Zhu, Yan; Yuan, Zi-jun; Feng, Xue-feng; Luo, Ming-biao","The first 2D→3D polycatenation array built on (3,4)-connected bilayer nets","CrystEngComm","2012","14","23","7861","","10.1039/c2ce26043c","","","0.71073","MoKα","","0.0642","0.0406","","","0.1119","0.1278","","","","","","1.067","","","","has coordinates,has disorder","180419","2020-10-21","18:00:00",""
"7208801","8.8489","0.0007","4.9807","0.0004","18.7046","0.0016","90","","100.158","0.002","90","","811.46","0.11","123","1","123","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Guanidinium Carbamoyldicyanomethanide","Guanidinium Carbamoyldicyanomethanide","","- C5 H8 N6 O -","- C5 H8 N6 O -","- C20 H32 N24 O4 -","4","1","","Turner, David R.; Edwards, Alison J.; Piltz, Ross O.","Nitrile groups as hydrogen-bond acceptors in a donor-rich hydrogen-bonding network","CrystEngComm","2012","14","20","6447","","10.1039/c2ce26052b","","","0.71073","MoKα","","0.0393","0.036","","","0.0836","0.0869","","","","","","1.108","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208802","8.8489","0.0007","4.9807","0.0004","18.7046","0.0016","90","","100.158","0.002","90","","811.46","0.11","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Guanidinium Carbamoyldicyanomethanide","","","- C5 H8 N6 O -","- C5 H8 N6 O -","- C20 H32 N24 O4 -","4","1","","Turner, David R.; Edwards, Alison J.; Piltz, Ross O.","Nitrile groups as hydrogen-bond acceptors in a donor-rich hydrogen-bonding network","CrystEngComm","2012","14","20","6447","","10.1039/c2ce26052b","","neutron","","neutron","","0.0413","0.0271","","","0.0543","0.0579","","","","","","0.908","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208803","30.9991","0.001","10.1021","0.0004","20.4318","0.0008","90","","110.727","0.003","90","","5984.2","0.4","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C45 H48 N20 O18 Pb3 -","- C46 H48 N20 O18 Pb3 -","- C184 H192 N80 O72 Pb12 -","4","0.5","","Hashemi, Lida; Morsali, Ali","Reversible crystal-to-crystal transformation in nano-porous three-dimensional lead(ii) MOFs; study of solvent attendance on iodide adsorption affinity","CrystEngComm","2012","14","24","8349","","10.1039/c2ce26056e","","","0.71073","MoKα","","0.1702","0.1076","","","0.2029","0.2286","","","","","","1.114","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208804","10.152","0.003","17.953","0.006","18.062","0.006","90","","94.62","0.01","90","","3281.3","1.8","115","2","388","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C48 H57 Co4 N4 O36 -","- C48 H57 Co4 N4 O35.5 -","- C48 H57 Co4 N4 O35.5 -","1","0.5","","Zou, Yang; Yu, Chaoyong; Li, Yuanyuan; Lah, Myoung Soo","A 3-dimensional coordination polymer with a rare lonsdaleite topology constructed from a tetrahedral ligand","CrystEngComm","2012","14","21","7174","","10.1039/c2ce26109j","","","0.71073","MoKα","","0.1503","0.102","","","0.2662","0.2951","","","","","","0.987","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208805","29.61","0.004","29.61","0.004","9.77","0.002","90","","90","","90","","8566","2","298","2","298","2","","","","","","","","6","I -4","I -4","82","","","","- C38 H38 Cu2 N2 O9 P4 -","- C38 H36 Cu2 N2 O9 P4 -","- C304 H288 Cu16 N16 O72 P32 -","8","1","","Bataille, Thierry; Bracco, Silvia; Comotti, Angiolina; Costantino, Ferdinando; Guerri, Annalisa; Ienco, Andrea; Marmottini, Fabio","Solvent dependent synthesis of micro- and nano- crystalline phosphinate based 1D tubular MOF: structure and CO2 adsorption selectivity","CrystEngComm","2012","14","21","7170","","10.1039/c2ce26138c","","","1.5418","CuKα","","0.2049","0.0798","","","0.1724","0.226","","","","","","0.991","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208806","29.573","0.003","29.573","0.003","9.736","0.003","90","","90","","90","","8515","3","150","2","150","2","","","","","","","","6","I -4","I -4","82","","","","- C38 H36 Cu2 N2 O8 P4 -","- C38 H36 Cu2 N2 O8 P4 -","- C304 H288 Cu16 N16 O64 P32 -","8","1","","Bataille, Thierry; Bracco, Silvia; Comotti, Angiolina; Costantino, Ferdinando; Guerri, Annalisa; Ienco, Andrea; Marmottini, Fabio","Solvent dependent synthesis of micro- and nano- crystalline phosphinate based 1D tubular MOF: structure and CO2 adsorption selectivity","CrystEngComm","2012","14","21","7170","","10.1039/c2ce26138c","","","0.71073","MoKα","","0.0631","0.046","","","0.1085","0.1166","","","","","","1.058","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208807","11.328","0.002","13.975","0.003","18.27","0.003","106.019","0.004","100.171","0.004","102.572","0.003","2625.6","0.9","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H50 Ag4 N14 O18 -","- C47 H50 Ag4 N14 O18 -","- C94 H100 Ag8 N28 O36 -","2","1","","Sun, Di; Liu, Fu-Jing; Huang, Rong-Bin; Zheng, Lan-Sun","Three guest-dependent nitrate‒water aggregations encapsulated in silver(i)‒bipyridine supramolecular frameworks","CrystEngComm","2012","14","23","7872","","10.1039/c2ce26161h","","","0.71073","MoKα","","0.0828","0.0661","","","0.1228","0.1308","","","","","","1.169","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208808","19.314","0.004","12.146","0.002","17.814","0.004","90","","106.86","0.03","90","","3999.3","1.5","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C37 H34 Ag3 N11 O11 -","- C37 H34 Ag3 N11 O11 -","- C148 H136 Ag12 N44 O44 -","4","1","","Sun, Di; Liu, Fu-Jing; Huang, Rong-Bin; Zheng, Lan-Sun","Three guest-dependent nitrate‒water aggregations encapsulated in silver(i)‒bipyridine supramolecular frameworks","CrystEngComm","2012","14","23","7872","","10.1039/c2ce26161h","","","0.71073","MoKα","","0.0344","0.0306","","","0.0657","0.0688","","","","","","1.013","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208809","14.01","0.004","11.38","0.003","18.085","0.005","90","","101.627","0.005","90","","2824.2","1.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 Ag2 N8 O7 -","- C27 H24 Ag2 N8 O7 -","- C108 H96 Ag8 N32 O28 -","4","1","","Sun, Di; Liu, Fu-Jing; Huang, Rong-Bin; Zheng, Lan-Sun","Three guest-dependent nitrate‒water aggregations encapsulated in silver(i)‒bipyridine supramolecular frameworks","CrystEngComm","2012","14","23","7872","","10.1039/c2ce26161h","","","0.71073","MoKα","","0.0994","0.0767","","","0.1979","0.2106","","","","","","1.189","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208810","12.3175","0.0005","13.2596","0.0006","25.4769","0.0011","88.893","0.002","88.152","0.002","79.98","0.002","4095","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","AR-ZZ4 pentyl 4-pyridyl cavitand, 1,4-I2-F4-benzene","","- C88 H82 F8 I4 N6 O8 -","- C88 H82 F8 I4 N6 O8 -","- C176 H164 F16 I8 N12 O16 -","2","1","","Aakeröy, Christer B.; Rajbanshi, Arbin; Metrangolo, Pierangelo; Resnati, Giuseppe; Parisi, Melchiorre F.; Desper, John; Pilati, Tullio","The quest for a molecular capsule assembled via halogen bonds","CrystEngComm","2012","14","20","6366","","10.1039/c2ce26173a","","","0.71073","MoKα","","0.0806","0.0513","","","0.1244","0.1412","","","","","","1.033","","","","has coordinates,has disorder","180419","2020-10-21","18:00:00",""
"7208811","18.758","0.003","19.828","0.003","22.558","0.003","100.106","0.01","98.682","0.01","110.342","0.009","7538","2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C159 H160.5 F16 I4 N9.5 O16 -","- C158.999 H160.5 F15.9996 I3.9999 N9.5 O15.9999 -","- C317.998 H320.999 F31.9992 I7.9998 N19 O31.9998 -","2","1","","Aakeröy, Christer B.; Rajbanshi, Arbin; Metrangolo, Pierangelo; Resnati, Giuseppe; Parisi, Melchiorre F.; Desper, John; Pilati, Tullio","The quest for a molecular capsule assembled via halogen bonds","CrystEngComm","2012","14","20","6366","","10.1039/c2ce26173a","","","0.71073","MoKα","","0.3358","0.2076","","","0.4356","0.476","","","","","","2.216","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7208812","7.7265","0.0016","9.864","0.002","22.541","0.005","79.457","0.004","89.924","0.007","89.993","0.004","1688.9","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H16 Cl N O5 -","- C19 H16 Cl N O5 -","- C76 H64 Cl4 N4 O20 -","4","2","","Báthori, Nikoletta B.; Oliver, Clive L.","Polymorphism of the β,γ-hydroxylactone derived from indomethacin","CrystEngComm","2012","14","24","8361","","10.1039/c2ce26188j","","","0.71073","MoKα","","0.127","0.0588","","","0.1068","0.1283","","","","","","1.005","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208813","8.6273","0.0017","9.5152","0.0019","10.644","0.002","81.61","0.03","75.88","0.03","86.06","0.03","837.8","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H16 Cl N O5 -","- C19 H16 Cl N O5 -","- C38 H32 Cl2 N2 O10 -","2","1","","Báthori, Nikoletta B.; Oliver, Clive L.","Polymorphism of the β,γ-hydroxylactone derived from indomethacin","CrystEngComm","2012","14","24","8361","","10.1039/c2ce26188j","","","0.71073","MoKα","","0.0395","0.0331","","","0.076","0.0802","","","","","","1.047","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208814","20.925","0.002","20.925","0.002","20.61","0.002","90","","90","","120","","7815.2","1.3","298","2","298","2","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","","","- C43 H54 Cl3 Cu4 N10 O3 S4 -","- C43 H54 Cl3 Cu4 N10 O3 S4 -","- C258 H324 Cl18 Cu24 N60 O18 S24 -","6","0.333333","","You, Zhong-Lu; Xian, Dong-Mei; Zhang, Mei","Two lantern-like 1D polymeric Schiff base copper(i/ii) complexes derived from copper(ii) salts containing rarely seen [CuI(NCS)4] bridges","CrystEngComm","2012","14","21","7133","","10.1039/c2ce26201k","","","0.71073","MoKα","","0.0519","0.0373","","","0.0799","0.0858","","","","","","1.033","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208815","20.6498","0.0008","20.6498","0.0008","20.3322","0.0013","90","","90","","120","","7508.4","0.6","298","2","298","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C43 H57 Cu4 N10 O3 S4 -","- C43 H57 Cu4 N10 O3 S4 -","- C258 H342 Cu24 N60 O18 S24 -","6","0.333333","","You, Zhong-Lu; Xian, Dong-Mei; Zhang, Mei","Two lantern-like 1D polymeric Schiff base copper(i/ii) complexes derived from copper(ii) salts containing rarely seen [CuI(NCS)4] bridges","CrystEngComm","2012","14","21","7133","","10.1039/c2ce26201k","","","0.71073","MoKα","","0.0592","0.0358","","","0.0722","0.0816","","","","","","1.029","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208816","8.3136","0.0019","14.719","0.004","11.526","0.003","90","","90.807","0.005","90","","1410.3","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 N3 O9 Tb -","- C11 H11 N3 O9 Tb -","- C44 H44 N12 O36 Tb4 -","4","1","","Yu, Yang; Ma, Jian-Ping; Dong, Yu-Bin","Luminescent humidity sensors based on porous Ln3±MOFs","CrystEngComm","2012","14","21","7157","","10.1039/c2ce26210j","","","0.71073","MoKα","","0.0886","0.0608","","","0.1072","0.1172","","","","","","1.056","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208817","8.2862","0.0017","14.865","0.003","11.559","0.002","90","","90.87","0.003","90","","1423.6","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 Eu N3 O9 -","- C11 H11 Eu N3 O9 -","- C44 H44 Eu4 N12 O36 -","4","1","","Yu, Yang; Ma, Jian-Ping; Dong, Yu-Bin","Luminescent humidity sensors based on porous Ln3±MOFs","CrystEngComm","2012","14","21","7157","","10.1039/c2ce26210j","","","0.71073","MoKα","","0.0498","0.0402","","","0.0782","0.0818","","","","","","1.057","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208818","6.7956","0.0015","11.993","0.003","21.79","0.005","90","","90","","90","","1775.9","0.7","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","methyl (2R,3S)-2-hydroxy-3-phenyl-3-(((5-phenyl-1,3,4- oxadiazol-2-yl)-carbonyl)amino)-propanoate","methyl (2R,3S)-2-hydroxy-3-phenyl-3-{[(5-phenyl-1,3,4-oxadiazol- 2-yl)-carbonyl]amino}-propanoate","","- C19 H17 N3 O5 -","- C19 H17 N3 O5 -","- C76 H68 N12 O20 -","4","1","","Wang, Li; Zhang, Zhenfeng; Wang, Yibo; Wu, Yanbo; Zhang, Shengyong","O⋯π and O‒H⋯π interactions: the first disclosure of the nature of 1,3,4-oxadiazol⋯aromatic contacts","CrystEngComm","2012","14","23","7877","","10.1039/c2ce26224j","","","0.71073","MoKα","","0.0269","0.0246","","","0.0615","0.0638","","","","","","1.008","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208819","16.459","0.001","4.1097","0.0005","18.072","0.001","90","","93.72","0.01","90","","1219.84","0.18","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C10 H8 Cl2 N2 O Pb -","- C10 H8 Cl2 N2 O Pb -","- C40 H32 Cl8 N8 O4 Pb4 -","4","1","","Toma, Oksana; Mercier, Nicolas; Bouilland, Mathilde; Allain, Magali","N-oxide-4,4′-bipyridine, a forgotten ligand in coordination chemistry: structure‒photoluminescence property relationships in 2D and 1D lead-coordination polymers","CrystEngComm","2012","14","23","7844","","10.1039/c2ce26237a","","x-ray","0.71073","","","0.0585","0.0381","","","0.0686","0.0745","","","","","","1.054","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208820","16.847","0.001","4.0866","0.0005","35.249","0.003","90","","97.55","0.01","90","","2405.7","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 Cl2 N6 O8 Pb -","- C20 H18 Cl2 N6 O8 Pb -","- C80 H72 Cl8 N24 O32 Pb4 -","4","0.5","","Toma, Oksana; Mercier, Nicolas; Bouilland, Mathilde; Allain, Magali","N-oxide-4,4′-bipyridine, a forgotten ligand in coordination chemistry: structure‒photoluminescence property relationships in 2D and 1D lead-coordination polymers","CrystEngComm","2012","14","23","7844","","10.1039/c2ce26237a","","x-ray","0.71073","","","0.0856","0.0399","","","0.0617","0.0685","","","","","","1.039","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208821","18.14","0.003","5.04","0.0009","19.369","0.003","90","","90","","90","","1770.8","0.5","300","2","300","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H18 N2 O S -","- C22 H18 N2 O S -","- C88 H72 N8 O4 S4 -","4","1","","Daly, Carla A.; Eccles, Kevin S.; Bateman, Lorraine M.; O' Boyle, Noel M.; Lawrence, Simon E.; Maguire, Anita R.","Investigating the influence of the sulfur oxidation state on solid state conformation","CrystEngComm","2012","14","23","7848","","10.1039/c2ce26298c","","","0.71073","MoKα","","0.0757","0.0548","","","0.1413","0.1638","","","","","","1.136","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208822","8.8488","0.0015","21.149","0.004","10.0801","0.0017","90","","98.541","0.004","90","","1865.5","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 N2 O2 S -","- C22 H18 N2 O2 S -","- C88 H72 N8 O8 S4 -","4","1","","Daly, Carla A.; Eccles, Kevin S.; Bateman, Lorraine M.; O' Boyle, Noel M.; Lawrence, Simon E.; Maguire, Anita R.","Investigating the influence of the sulfur oxidation state on solid state conformation","CrystEngComm","2012","14","23","7848","","10.1039/c2ce26298c","","","0.71073","MoKα","","0.1075","0.0571","","","0.1463","0.1747","","","","","","1.027","","","","has coordinates,has disorder","180419","2020-10-21","18:00:00",""
"7208823","10.511","0.002","34.171","0.008","11.778","0.003","90","","113.517","0.005","90","","3879","1.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 N2 O3 S -","- C22 H18 N2 O3 S -","- C176 H144 N16 O24 S8 -","8","2","","Daly, Carla A.; Eccles, Kevin S.; Bateman, Lorraine M.; O' Boyle, Noel M.; Lawrence, Simon E.; Maguire, Anita R.","Investigating the influence of the sulfur oxidation state on solid state conformation","CrystEngComm","2012","14","23","7848","","10.1039/c2ce26298c","","","0.71073","MoKα","","0.1043","0.0504","","","0.1066","0.1279","","","","","","1.003","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208856","5.2052","0.0006","12.6763","0.0017","19.107","0.003","90","","91.293","0.012","90","","1260.4","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Lithum Yttrium Barium Molybdate","Lithum Yttrium Barium Molybdate","","- Ba2 Li3 Mo8 O32 Y3 -","- Ba2 Li3 Mo8 O32 Y3 -","- Ba4 Li6 Mo16 O64 Y6 -","2","0.25","","Song, Mingjun; Zhou, Weiwei; Wu, Mingyan; Wang, Guofu","Structure, thermal and spectroscopic properties of Tm3±doped Li3Ba2Y3(MoO4)8 crystal as a promising candidate for 2 μm lasers","CrystEngComm","2013","15","1","168","","10.1039/c2ce25671a","","","0.71073","MoKα","","0.0447","0.0425","","","0.1109","0.1123","","","","","","1.19","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208857","9.8525","0.0019","10.375","0.002","13.982","0.003","72.383","0.003","89.789","0.002","80.764","0.003","1343","0.5","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H26 N8 O2 -","- C32 H26 N8 O2 -","- C64 H52 N16 O4 -","2","1","","Hou, Gui-Ge; Zhao, Hui-Juan; Sun, Ju-Feng; Lin, Dong; Dai, Xian-Ping; Han, Jing-Tian; Zhao, Hui","Synthesis, structure and luminescence of Co-crystals with hexagonal channels: arranging disposition and π‒π interactions","CrystEngComm","2013","15","3","577","","10.1039/c2ce25759a","","","0.71073","MoKα","","0.0788","0.0546","","","0.1343","0.1509","","","","","","1.025","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208858","7.599","0.002","9.335","0.003","23.306","0.007","90","","97.817","0.005","90","","1637.9","0.8","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 N4 O2 -","- C19 H16 N4 O2 -","- C76 H64 N16 O8 -","4","1","","Hou, Gui-Ge; Zhao, Hui-Juan; Sun, Ju-Feng; Lin, Dong; Dai, Xian-Ping; Han, Jing-Tian; Zhao, Hui","Synthesis, structure and luminescence of Co-crystals with hexagonal channels: arranging disposition and π‒π interactions","CrystEngComm","2013","15","3","577","","10.1039/c2ce25759a","","","0.71073","MoKα","","0.1358","0.079","","","0.1463","0.1699","","","","","","1.106","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208859","9.865","0.002","15.655","0.004","14.016","0.003","90","","101.089","0.003","90","","2124.2","0.8","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 N3 O -","- C12 H10 N3 O -","- C96 H80 N24 O8 -","8","1","","Hou, Gui-Ge; Zhao, Hui-Juan; Sun, Ju-Feng; Lin, Dong; Dai, Xian-Ping; Han, Jing-Tian; Zhao, Hui","Synthesis, structure and luminescence of Co-crystals with hexagonal channels: arranging disposition and π‒π interactions","CrystEngComm","2013","15","3","577","","10.1039/c2ce25759a","","","0.71073","MoKα","","0.085","0.0594","","","0.1398","0.1542","","","","","","1.069","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208860","7.352","0.002","9.03","0.003","9.219","0.003","116.322","0.004","93.538","0.004","108.236","0.004","506.4","0.3","298","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H10 N3 O -","- C12 H10 N3 O -","- C24 H20 N6 O2 -","2","1","","Hou, Gui-Ge; Zhao, Hui-Juan; Sun, Ju-Feng; Lin, Dong; Dai, Xian-Ping; Han, Jing-Tian; Zhao, Hui","Synthesis, structure and luminescence of Co-crystals with hexagonal channels: arranging disposition and π‒π interactions","CrystEngComm","2013","15","3","577","","10.1039/c2ce25759a","","","0.71073","MoKα","","0.0758","0.066","","","0.1693","0.178","","","","","","1.054","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208861","11.3946","0.0003","11.3946","0.0003","11.3946","0.0003","90","","90","","90","","1479.44","0.07","293","","293","","","","","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Cd12 Ni12 -","- Cd12 Ni12 -","- Cd48 Ni48 -","4","0.0208333","","Jana, Partha Pratim; Lidin, Sven","Structures of NiCd6+δ (−0.32 ≤ δ ≤ 0.35) ‒ a γ-brass related phase, and NiCd1+δ (0 ≤ δ ≤ 0.05) ‒ a Ti2Ni type phase in the nickel‒cadmium system","CrystEngComm","2013","15","4","745","","10.1039/c2ce25982f","","x-ray","0.7107","","","0.0101","0.0095","","0.0294","0.0289","","","","1.21","1.2","1.2","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208862","19.722","0.0002","19.722","0.0002","19.722","0.0002","90","","90","","90","","7671.02","0.13","293","","293","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","","- Cd82.247 Ni14.486 -","- Cd82.208 Ni14.51 -","- Cd328.832 Ni58.04 -","4","0.0416667","","Jana, Partha Pratim; Lidin, Sven","Structures of NiCd6+δ (−0.32 ≤ δ ≤ 0.35) ‒ a γ-brass related phase, and NiCd1+δ (0 ≤ δ ≤ 0.05) ‒ a Ti2Ni type phase in the nickel‒cadmium system","CrystEngComm","2013","15","4","745","","10.1039/c2ce25982f","","x-ray","0.7107","","","0.0432","0.0404","","0.1305","0.1284","","","","1.82","1.84","1.84","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208863","19.7145","0.0011","19.7145","0.0011","19.7145","0.0011","90","","90","","90","","7662.3","0.7","293","","293","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","","- Cd82.826 Ni13.378 -","- Cd82.79 Ni13.41 -","- Cd331.16 Ni53.64 -","4","0.0416667","","Jana, Partha Pratim; Lidin, Sven","Structures of NiCd6+δ (−0.32 ≤ δ ≤ 0.35) ‒ a γ-brass related phase, and NiCd1+δ (0 ≤ δ ≤ 0.05) ‒ a Ti2Ni type phase in the nickel‒cadmium system","CrystEngComm","2013","15","4","745","","10.1039/c2ce25982f","","x-ray","0.7107","","","0.045","0.0423","","0.1356","0.1337","","","","1.85","1.89","1.89","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208864","19.7356","0.0005","19.7356","0.0005","19.7356","0.0005","90","","90","","90","","7686.9","0.3","293","","293","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","","- Cd82.96 Ni13.252 -","- Cd82.908 Ni13.29 -","- Cd331.632 Ni53.16 -","4","0.0416667","","Jana, Partha Pratim; Lidin, Sven","Structures of NiCd6+δ (−0.32 ≤ δ ≤ 0.35) ‒ a γ-brass related phase, and NiCd1+δ (0 ≤ δ ≤ 0.05) ‒ a Ti2Ni type phase in the nickel‒cadmium system","CrystEngComm","2013","15","4","745","","10.1039/c2ce25982f","","x-ray","0.7107","","","0.0476","0.0407","","0.1084","0.1058","","","","1.69","1.75","1.75","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208865","19.7384","","19.7384","","19.7384","","90","","90","","90","","7690.17","","293","","293","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","","- Cd83.144 Ni13.09 -","- Cd83.22 Ni13.06 -","- Cd332.88 Ni52.24 -","4","0.0416667","","Jana, Partha Pratim; Lidin, Sven","Structures of NiCd6+δ (−0.32 ≤ δ ≤ 0.35) ‒ a γ-brass related phase, and NiCd1+δ (0 ≤ δ ≤ 0.05) ‒ a Ti2Ni type phase in the nickel‒cadmium system","CrystEngComm","2013","15","4","745","","10.1039/c2ce25982f","","x-ray","0.7107","","","0.0353","0.0344","","0.121","0.1203","","","","1.82","1.83","1.83","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208866","11.397","0.0004","11.397","0.0004","11.397","0.0004","90","","90","","90","","1480.37","0.09","293","","293","","","","","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Cd12.303 Ni11.697 -","- Cd12.304 Ni11.696 -","- Cd49.216 Ni46.784 -","4","0.0208333","","Jana, Partha Pratim; Lidin, Sven","Structures of NiCd6+δ (−0.32 ≤ δ ≤ 0.35) ‒ a γ-brass related phase, and NiCd1+δ (0 ≤ δ ≤ 0.05) ‒ a Ti2Ni type phase in the nickel‒cadmium system","CrystEngComm","2013","15","4","745","","10.1039/c2ce25982f","","x-ray","0.7107","","","0.0201","0.0192","","0.0642","0.0623","","","","1.2","1.18","1.18","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208867","32.365","0.004","32.365","0.004","32.365","0.004","90","","90","","90","","33902","7","173","2","173","2","","","","","","","","5","P n -3 n :2","-P 4a 2bc 3","222","","","","- C10 H7 Cu0.5 N O3.5 -","- C10 H6 Cu0.5 N O3.5 -","- C480 H288 Cu24 N48 O168 -","48","1","","Rajput, Lalit; Kim, Dongwook; Lah, Myoung Soo","Conformational control of ligands to create a finite metal‒organic cluster and an extended metal‒organic framework","CrystEngComm","2013","15","2","259","","10.1039/c2ce26015h","","","0.71073","MoKα","","0.2465","0.1515","","","0.4379","0.4844","","","","","","1.341","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208868","41.121","0.008","20.457","0.004","39.436","0.008","90","","106.71","0.03","90","","31773","12","96","2","96","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C278 H328 N44 Ni14 O94 -","- C278 H328 N44 Ni14 O94 -","- C1112 H1312 N176 Ni56 O376 -","4","0.5","","Rajput, Lalit; Kim, Dongwook; Lah, Myoung Soo","Conformational control of ligands to create a finite metal‒organic cluster and an extended metal‒organic framework","CrystEngComm","2013","15","2","259","","10.1039/c2ce26015h","","","0.8","synchrotron","","0.0803","0.0643","","","0.1933","0.2031","","","","","","1.085","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"7208869","17.812","0.0018","15.4281","0.0016","16.3819","0.0017","90","","90","","90","","4501.8","0.8","298","2","298","2","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- C16 H16 Cd2 N4 O9 -","- C16 H16 Cd2 N4 O9 -","- C128 H128 Cd16 N32 O72 -","8","1","","Zhai, Quan-Guo; Zeng, Rong-Rong; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Alkyl substituents introduced into novel d10-metalimidazole-4,5-dicarboxylate frameworks: synthesis, structure diversities and photoluminescence properties","CrystEngComm","2013","15","5","965","","10.1039/c2ce26063h","","","0.71073","MoKα","","0.1093","0.0775","","","0.2072","0.2389","","","","","","1.073","","","","has coordinates,has disorder","180419","2020-10-21","18:00:00",""
"7208870","8.9597","0.0011","11.2586","0.0012","13.1658","0.0015","111.467","0.002","94.81","0.001","98.544","0.001","1208.4","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H27 Ag2 N6 O4 -","- C20 H27 Ag2 N6 O4 -","- C40 H54 Ag4 N12 O8 -","2","1","","Zhai, Quan-Guo; Zeng, Rong-Rong; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Alkyl substituents introduced into novel d10-metalimidazole-4,5-dicarboxylate frameworks: synthesis, structure diversities and photoluminescence properties","CrystEngComm","2013","15","5","965","","10.1039/c2ce26063h","","","0.71073","MoKα","","0.058","0.0338","","","0.0794","0.0967","","","","","","1.021","","","","has coordinates,has disorder","180419","2020-10-21","18:00:00",""
"7208871","7.229","0.0007","8.9199","0.0009","9.3501","0.001","65.68","0.001","88.42","0.002","70.57","0.001","513.9","0.09","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H20.5 N4 O12.25 Zn -","- C14 H20.52 N4 O12.25 Zn -","- C14 H20.52 N4 O12.25 Zn -","1","0.5","","Zhai, Quan-Guo; Zeng, Rong-Rong; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Alkyl substituents introduced into novel d10-metalimidazole-4,5-dicarboxylate frameworks: synthesis, structure diversities and photoluminescence properties","CrystEngComm","2013","15","5","965","","10.1039/c2ce26063h","","","0.71073","MoKα","","0.0494","0.0407","","","0.1103","0.1143","","","","","","1.182","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208872","19.267","0.003","11.2198","0.0005","12.833","0.003","90","","127.52","0.03","90","","2200.3","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H10 N2 O5 Zn -","- C8 H5 N2 O5 Zn -","- C64 H40 N16 O40 Zn8 -","8","1","","Zhai, Quan-Guo; Zeng, Rong-Rong; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Alkyl substituents introduced into novel d10-metalimidazole-4,5-dicarboxylate frameworks: synthesis, structure diversities and photoluminescence properties","CrystEngComm","2013","15","5","965","","10.1039/c2ce26063h","","","0.71073","MoKα","","0.0368","0.0323","","","0.1183","0.1269","","","","","","1.027","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208873","8.2303","0.0002","10.7231","0.0003","11.1975","0.0003","90","","90","0.03","90","","988.23","0.05","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 Cd N4 O8 -","- C16 H18 Cd N4 O8 -","- C32 H36 Cd2 N8 O16 -","2","0.5","","Zhai, Quan-Guo; Zeng, Rong-Rong; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Alkyl substituents introduced into novel d10-metalimidazole-4,5-dicarboxylate frameworks: synthesis, structure diversities and photoluminescence properties","CrystEngComm","2013","15","5","965","","10.1039/c2ce26063h","","","0.71073","MoKα","","0.03","0.0263","","","0.0782","0.0833","","","","","","1.012","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208874","16.201","0.0003","16.201","0.0003","6.9121","0.0003","90","","90","","90","","1814.24","0.09","293","2","293","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C6 H6 Cd N2 O5 -","- C6 Cd N2 O5 -","- C48 Cd8 N16 O40 -","8","0.25","","Zhai, Quan-Guo; Zeng, Rong-Rong; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Alkyl substituents introduced into novel d10-metalimidazole-4,5-dicarboxylate frameworks: synthesis, structure diversities and photoluminescence properties","CrystEngComm","2013","15","5","965","","10.1039/c2ce26063h","","","0.71073","MoKα","","0.0455","0.0405","","","0.1384","0.1422","","","","","","1.089","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208875","16.178","0.0002","16.178","0.0002","6.8377","0.0002","90","","90","","90","","1789.62","0.06","293","2","293","2","","","","","","","","5","P 42/n m c :2","-P 4ac 2a","137","","","","- C7 H8 Cd N2 O5 -","- C7 Cd N2 O5 -","- C56 Cd8 N16 O40 -","8","0.5","","Zhai, Quan-Guo; Zeng, Rong-Rong; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Alkyl substituents introduced into novel d10-metalimidazole-4,5-dicarboxylate frameworks: synthesis, structure diversities and photoluminescence properties","CrystEngComm","2013","15","5","965","","10.1039/c2ce26063h","","","0.71073","MoKα","","0.0572","0.045","","","0.1309","0.1378","","","","","","1.056","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208876","12.8722","0.0005","12.9237","0.0004","29.641","0.002","90","","90","","90","","4931","0.4","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H42 Cl22 Cu16 N6 -","- C18 H42 Cl22 Cu16 N6 -","- C72 H168 Cl88 Cu64 N24 -","4","1","","Williams, Edward R.; Weller, Mark T.","Hydrothermal synthesis and structural characterisation of [H2DABCO]3[Cu16Cl22]: a new copper(i) chloride framework","CrystEngComm","2013","15","1","31","","10.1039/c2ce26068a","","","0.71075","MoKα","","0.0659","0.0592","","","0.1379","0.1413","","","","","","1.13","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208877","23.8588","0.0012","18.6112","0.0009","8.4514","0.0005","90","","100.598","0.003","90","","3688.8","0.3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H30 N6 O8 Pd Zn -","- C24 H30 N6 O8 Pd Zn -","- C96 H120 N24 O32 Pd4 Zn4 -","4","0.5","","Huang, Sheng-Li; Zhang, Long; Lin, Yue-Jian; Jin, Guo-Xin","Discrepant gas adsorption in isostructural heterometallic coordination polymers: strong dependence of metal identity","CrystEngComm","2013","15","1","78","","10.1039/c2ce26072g","","","1.54178","CuKα","","0.0462","0.0424","","","0.1271","0.1312","","","","","","1.088","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208878","11.4952","0.0009","11.5504","0.0008","21.6426","0.0016","94.351","0.001","91.218","0.001","113.627","0.001","2620.9","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H65 Co N11 Ni2 O16 -","- C41 H59 Co N11 Ni2 O16 -","- C82 H118 Co2 N22 Ni4 O32 -","2","1","","Huang, Sheng-Li; Zhang, Long; Lin, Yue-Jian; Jin, Guo-Xin","Discrepant gas adsorption in isostructural heterometallic coordination polymers: strong dependence of metal identity","CrystEngComm","2013","15","1","78","","10.1039/c2ce26072g","","","0.71073","MoKα","","0.0772","0.0519","","","0.1633","0.1947","","","","","","0.995","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208879","11.4505","0.0008","11.5123","0.0008","21.6191","0.0014","94.207","0.001","91.531","0.001","113.612","0.001","2599.3","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H65 N11 Ni3 O16 -","- C41 H59 N11 Ni3 O16 -","- C82 H118 N22 Ni6 O32 -","2","1","","Huang, Sheng-Li; Zhang, Long; Lin, Yue-Jian; Jin, Guo-Xin","Discrepant gas adsorption in isostructural heterometallic coordination polymers: strong dependence of metal identity","CrystEngComm","2013","15","1","78","","10.1039/c2ce26072g","","","0.71073","MoKα","","0.0777","0.0569","","","0.178","0.1977","","","","","","1.081","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208880","11.4882","0.0008","11.5521","0.0008","21.6308","0.0016","94.361","0.001","91.317","0.001","113.584","0.001","2618.8","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H65 N11 Ni2 O16 Zn -","- C41 H63 N11 Ni2 O16 Zn -","- C82 H126 N22 Ni4 O32 Zn2 -","2","1","","Huang, Sheng-Li; Zhang, Long; Lin, Yue-Jian; Jin, Guo-Xin","Discrepant gas adsorption in isostructural heterometallic coordination polymers: strong dependence of metal identity","CrystEngComm","2013","15","1","78","","10.1039/c2ce26072g","","","0.71073","MoKα","","0.0781","0.0492","","","0.1281","0.1527","","","","","","1.065","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208881","11.5109","0.0014","11.5916","0.0014","21.717","0.003","91.17","0.002","94.449","0.002","113.834","0.002","2638.3","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H71 N11 Ni O19 Zn2 -","- C41 H67 N11 Ni O19 Zn2 -","- C82 H134 N22 Ni2 O38 Zn4 -","2","1","","Huang, Sheng-Li; Zhang, Long; Lin, Yue-Jian; Jin, Guo-Xin","Discrepant gas adsorption in isostructural heterometallic coordination polymers: strong dependence of metal identity","CrystEngComm","2013","15","1","78","","10.1039/c2ce26072g","","","0.71073","MoKα","","0.0585","0.0497","","","0.1532","0.1611","","","","","","1.066","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208882","11.5056","0.0008","11.6391","0.0008","21.8286","0.0015","91.695","0.001","94.3","0.001","113.432","0.001","2668.9","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H67 N11 O17 Zn3 -","- C41 H65 N11 O17 Zn3 -","- C82 H130 N22 O34 Zn6 -","2","1","","Huang, Sheng-Li; Zhang, Long; Lin, Yue-Jian; Jin, Guo-Xin","Discrepant gas adsorption in isostructural heterometallic coordination polymers: strong dependence of metal identity","CrystEngComm","2013","15","1","78","","10.1039/c2ce26072g","","","0.71073","MoKα","","0.0689","0.0528","","","0.1707","0.1935","","","","","","1.081","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208883","13.8978","0.0008","15.0595","0.0009","15.5605","0.0009","90","","115.097","0.001","90","","2949.3","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 Cu N6 Ni O11 -","- C24 H36 Cu N6 Ni O11 -","- C96 H144 Cu4 N24 Ni4 O44 -","4","1","","Huang, Sheng-Li; Zhang, Long; Lin, Yue-Jian; Jin, Guo-Xin","Discrepant gas adsorption in isostructural heterometallic coordination polymers: strong dependence of metal identity","CrystEngComm","2013","15","1","78","","10.1039/c2ce26072g","","","0.71073","MoKα","","0.0631","0.0362","","","0.0784","0.0867","","","","","","0.942","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208884","8.2345","0.0009","13.4315","0.0015","13.4515","0.0015","65.405","0.001","81.539","0.002","85.676","0.002","1337.9","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H34 Cu2 N6 O10 -","- C24 H34 Cu2 N6 O10 -","- C48 H68 Cu4 N12 O20 -","2","1","","Huang, Sheng-Li; Zhang, Long; Lin, Yue-Jian; Jin, Guo-Xin","Discrepant gas adsorption in isostructural heterometallic coordination polymers: strong dependence of metal identity","CrystEngComm","2013","15","1","78","","10.1039/c2ce26072g","","","0.71073","MoKα","","0.0439","0.039","","","0.1399","0.1589","","","","","","1.146","","","","has coordinates,has disorder","180419","2020-10-21","18:00:00",""
"7208885","9.706","0.004","10.184","0.004","10.607","0.004","62.712","0.004","85.47","0.005","69.691","0.004","869.8","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H50 Cu N6 Ni O18 -","- C24 H46 Cu N6 Ni O18 -","- C24 H46 Cu N6 Ni O18 -","1","0.5","","Huang, Sheng-Li; Zhang, Long; Lin, Yue-Jian; Jin, Guo-Xin","Discrepant gas adsorption in isostructural heterometallic coordination polymers: strong dependence of metal identity","CrystEngComm","2013","15","1","78","","10.1039/c2ce26072g","","","0.71073","MoKα","","0.0679","0.0648","","","0.1729","0.1773","","","","","","1.023","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208886","15.107","0.002","9.1347","0.0014","19.186","0.003","90","","100.09","0.002","90","","2606.7","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-aminopyridinium hemi(tetrafluoroborate)","","","- C10 H13 B F4 N4 -","- C10 H13 B F4 N4 -","- C80 H104 B8 F32 N32 -","8","2","","Macksasitorn, Sarist; Hu, Yang; Stork, Jay R.","Homoconjugated 4-aminopyridine salts: influence of anions on network topology","CrystEngComm","2013","15","9","1698","","10.1039/c2ce26107c","","","0.71073","MoKα","","0.0817","0.0472","","","0.1077","0.1232","","","","","","1.043","","","","has coordinates,has disorder","180419","2020-10-21","18:00:00",""
"7208887","6.604","0.001","6.604","0.001","31.614","0.01","90","","90","","90","","1378.8","0.5","100","2","100","2","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","4-aminopyridinium hemihexafluorphosphate","","","- C10 H13 F6 N4 P -","- C10 H13 F6 N4 P -","- C40 H52 F24 N16 P4 -","4","0.125","","Macksasitorn, Sarist; Hu, Yang; Stork, Jay R.","Homoconjugated 4-aminopyridine salts: influence of anions on network topology","CrystEngComm","2013","15","9","1698","","10.1039/c2ce26107c","","","0.71073","MoKα","","0.0413","0.0347","","","0.0902","0.0967","","","","","","1.06","","","","has coordinates,has disorder","180419","2020-10-21","18:00:00",""
"7208888","9.7157","0.0017","8.8484","0.0016","13.216","0.002","90","","95.285","0.002","90","","1131.3","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","4-Aminopyridinium hemichloride","","","- C10 H13 Cl N4 -","- C10 H13 Cl N4 -","- C40 H52 Cl4 N16 -","4","1","","Macksasitorn, Sarist; Hu, Yang; Stork, Jay R.","Homoconjugated 4-aminopyridine salts: influence of anions on network topology","CrystEngComm","2013","15","9","1698","","10.1039/c2ce26107c","","","0.71073","MoKα","","0.0466","0.0359","","","0.0841","0.0914","","","","","","1.033","","","","has coordinates,has disorder","180419","2020-10-21","18:00:00",""
"7208889","9.7699","0.0017","8.993","0.0015","13.46","0.002","90","","95.826","0.003","90","","1176.5","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","4-aminopyridinium hemibromide","","","- C10 H13 Br N4 -","- C10 H13 Br N4 -","- C40 H52 Br4 N16 -","4","1","","Macksasitorn, Sarist; Hu, Yang; Stork, Jay R.","Homoconjugated 4-aminopyridine salts: influence of anions on network topology","CrystEngComm","2013","15","9","1698","","10.1039/c2ce26107c","","","0.71073","MoKα","","0.0402","0.0303","","","0.0781","0.0828","","","","","","1.037","","","","has coordinates,has disorder","180419","2020-10-21","18:00:00",""
"7208890","8.2553","0.0011","12.849","0.0016","3.888","0.0004","90","","90","","90","","412.41","0.09","293","2","293","2","","","","","","","","4","C m m m","-C 2 2","65","","","","- C6 H2 Cs2 O4 -","- C6 Cs2 O4 -","- C12 Cs4 O8 -","2","0.125","","Molčanov, Krešimir; Kojić-Prodić, Biserka; Babić, Darko; Stare, Jernej","Face-to-face stacking of dianionic quinoid rings in crystals of alkali salts of 2,5-dihydroxyquinone in view of π-system polarization","CrystEngComm","2013","15","1","135","","10.1039/c2ce26119g","","x-ray","1.54179","CuKα","","","0.055","","","","0.1534","","","","","","1.102","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208891","3.9251","0.0001","11.2358","0.0003","8.3337","0.0002","90","","102.757","0.003","90","","358.457","0.016","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H2 K2 O4 -","- C6 H2 K2 O4 -","- C12 H4 K4 O8 -","2","0.5","","Molčanov, Krešimir; Kojić-Prodić, Biserka; Babić, Darko; Stare, Jernej","Face-to-face stacking of dianionic quinoid rings in crystals of alkali salts of 2,5-dihydroxyquinone in view of π-system polarization","CrystEngComm","2013","15","1","135","","10.1039/c2ce26119g","","x-ray","1.54179","CuKα","","","0.0294","","","","0.0845","","","","","","1.119","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208892","15.9708","0.0007","6.4417","0.0002","7.9093","0.0003","90","","116.462","0.005","90","","728.45","0.06","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C6 H6 Li2 O6 -","- C6 H6 Li2 O6 -","- C24 H24 Li8 O24 -","4","0.5","","Molčanov, Krešimir; Kojić-Prodić, Biserka; Babić, Darko; Stare, Jernej","Face-to-face stacking of dianionic quinoid rings in crystals of alkali salts of 2,5-dihydroxyquinone in view of π-system polarization","CrystEngComm","2013","15","1","135","","10.1039/c2ce26119g","","x-ray","1.54179","CuKα","","","0.0363","","","","0.1084","","","","","","1.081","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208893","8.2507","0.0009","12.4085","0.0013","7.0259","0.0012","90","","90","","90","","719.3","0.16","293","2","293","2","","","","","","","","4","I b a m","-I 2 2c","72","","","","- C6 H10 N2 O4 -","- C6 H10 N2 O4 -","- C24 H40 N8 O16 -","4","0.25","","Molčanov, Krešimir; Kojić-Prodić, Biserka; Babić, Darko; Stare, Jernej","Face-to-face stacking of dianionic quinoid rings in crystals of alkali salts of 2,5-dihydroxyquinone in view of π-system polarization","CrystEngComm","2013","15","1","135","","10.1039/c2ce26119g","","x-ray","1.54179","CuKα","","","0.0569","","","","0.1873","","","","","","1.122","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208894","8.1716","0.0004","12.468","0.0005","7.2307","0.0003","90","","90","","90","","736.69","0.06","293","2","293","2","","","","","","","","4","I b a m","-I 2 2c","72","","","","- C6 H2 O4 Rb2 -","- C6 H2 O4 Rb2 -","- C24 H8 O16 Rb8 -","4","0.25","","Molčanov, Krešimir; Kojić-Prodić, Biserka; Babić, Darko; Stare, Jernej","Face-to-face stacking of dianionic quinoid rings in crystals of alkali salts of 2,5-dihydroxyquinone in view of π-system polarization","CrystEngComm","2013","15","1","135","","10.1039/c2ce26119g","","x-ray","1.54179","CuKα","","","0.0433","","","","0.1216","","","","","","1.13","","","","has coordinates","211691","2020-10-21","18:00:00",""
"7208895","6.86","0.002","7.368","0.002","18.967","0.005","90","","109.738","0.009","90","","902.4","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 N2 O4 -","- C8 H10 N2 O4 -","- C32 H40 N8 O16 -","4","1","","Xia, Zhengqiang; Wei, Qing; Yang, Qi; Qiao, Chengfang; Chen, Sanping; Xie, Gang; Zhang, Guochun; Zhou, Chunsheng; Gao, Shengli","Lanthanide coordination compounds with 1H-benzimidazole-2-carboxylic acid: syntheses, structures and spectroscopic properties","CrystEngComm","2013","15","1","86","","10.1039/c2ce26120k","","","0.71073","MoKα","","0.1331","0.0696","","","0.168","0.2105","","","","","","1.015","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208896","9.7089","0.0014","8.9276","0.0013","25.93","0.004","90","","91.09","0.002","90","","2247.1","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H15 N6 O6 Tb -","- C24 H15 N6 O6 Tb -","- C96 H60 N24 O24 Tb4 -","4","1","","Xia, Zhengqiang; Wei, Qing; Yang, Qi; Qiao, Chengfang; Chen, Sanping; Xie, Gang; Zhang, Guochun; Zhou, Chunsheng; Gao, Shengli","Lanthanide coordination compounds with 1H-benzimidazole-2-carboxylic acid: syntheses, structures and spectroscopic properties","CrystEngComm","2013","15","1","86","","10.1039/c2ce26120k","","","0.71073","MoKα","","0.0502","0.041","","","0.0972","0.1021","","","","","","1.066","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208897","9.7575","0.001","8.9776","0.0009","26.005","0.003","90","","91.113","0.001","90","","2277.6","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H15 Eu N6 O6 -","- C24 H15 Eu N6 O6 -","- C96 H60 Eu4 N24 O24 -","4","1","","Xia, Zhengqiang; Wei, Qing; Yang, Qi; Qiao, Chengfang; Chen, Sanping; Xie, Gang; Zhang, Guochun; Zhou, Chunsheng; Gao, Shengli","Lanthanide coordination compounds with 1H-benzimidazole-2-carboxylic acid: syntheses, structures and spectroscopic properties","CrystEngComm","2013","15","1","86","","10.1039/c2ce26120k","","","0.71073","MoKα","","0.0321","0.025","","","0.0627","0.0785","","","","","","1.097","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208898","9.8425","0.0007","9.0698","0.0007","26.084","0.002","90","","91.216","0.001","90","","2328","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H15 N6 O6 Pr -","- C24 H15 N6 O6 Pr -","- C96 H60 N24 O24 Pr4 -","4","1","","Xia, Zhengqiang; Wei, Qing; Yang, Qi; Qiao, Chengfang; Chen, Sanping; Xie, Gang; Zhang, Guochun; Zhou, Chunsheng; Gao, Shengli","Lanthanide coordination compounds with 1H-benzimidazole-2-carboxylic acid: syntheses, structures and spectroscopic properties","CrystEngComm","2013","15","1","86","","10.1039/c2ce26120k","","","0.71073","MoKα","","0.0351","0.029","","","0.0638","0.0661","","","","","","1.037","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208899","9.853","0.002","9.073","0.002","26.152","0.006","90","","91.153","0.004","90","","2337.4","0.9","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H15 N6 Nd O6 -","- C24 H15 N6 Nd O6 -","- C96 H60 N24 Nd4 O24 -","4","1","","Xia, Zhengqiang; Wei, Qing; Yang, Qi; Qiao, Chengfang; Chen, Sanping; Xie, Gang; Zhang, Guochun; Zhou, Chunsheng; Gao, Shengli","Lanthanide coordination compounds with 1H-benzimidazole-2-carboxylic acid: syntheses, structures and spectroscopic properties","CrystEngComm","2013","15","1","86","","10.1039/c2ce26120k","","","0.71073","MoKα","","0.0689","0.0549","","","0.1184","0.1249","","","","","","1.009","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208900","9.7434","0.0011","8.9656","0.001","26","0.003","90","","91.179","0.002","90","","2270.8","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H15 Gd N6 O6 -","- C24 H15 Gd N6 O6 -","- C96 H60 Gd4 N24 O24 -","4","1","","Xia, Zhengqiang; Wei, Qing; Yang, Qi; Qiao, Chengfang; Chen, Sanping; Xie, Gang; Zhang, Guochun; Zhou, Chunsheng; Gao, Shengli","Lanthanide coordination compounds with 1H-benzimidazole-2-carboxylic acid: syntheses, structures and spectroscopic properties","CrystEngComm","2013","15","1","86","","10.1039/c2ce26120k","","","0.71073","MoKα","","0.0526","0.0373","","","0.0715","0.0774","","","","","","1.033","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208901","11.9092","0.0007","5.2342","0.0003","11.3589","0.0007","90","","91.198","0.003","90","","707.9","0.07","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,3'-AzoPy-SA (3-pyridyl)-N=N-(3-pyridyl), HOOC-(CH2)2-COOH","","- C14 H14 N4 O4 -","- C14 H14 N4 O4 -","- C28 H28 N8 O8 -","2","0.5","","Aakeröy, Christer B.; Panikkattu, Sheelu; DeHaven, Baillie; Desper, John","Interdependence of structure and physical properties in co-crystals of azopyridines","CrystEngComm","2013","15","3","463","","10.1039/c2ce26153g","","","0.71073","MoKα","","0.0538","0.0406","","","0.1098","0.1181","","","","","","1.131","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208902","5.2025","0.0004","7.0703","0.0006","11.4579","0.001","99.247","0.005","102.957","0.006","101.395","0.005","393.25","0.06","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","(3-pyridyl)-N=N-(3-pyridyl), HOOC-(CH2)4-COOH","","- C16 H18 N4 O4 -","- C16 H18 N4 O4 -","- C16 H18 N4 O4 -","1","0.5","","Aakeröy, Christer B.; Panikkattu, Sheelu; DeHaven, Baillie; Desper, John","Interdependence of structure and physical properties in co-crystals of azopyridines","CrystEngComm","2013","15","3","463","","10.1039/c2ce26153g","","","0.71073","MoKα","","0.0611","0.0489","","","0.1337","0.1451","","","","","","1.036","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208903","5.468","0.0006","7.0381","0.0007","11.9358","0.0012","98.867","0.006","93.592","0.006","102.392","0.006","441.09","0.08","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","03-04BD (3-pyridyl)-N=N-(3-pyridyl), HOOC-(CH2)6-COOH","","- C18 H22 N4 O4 -","- C18 H22 N4 O4 -","- C18 H22 N4 O4 -","1","0.5","","Aakeröy, Christer B.; Panikkattu, Sheelu; DeHaven, Baillie; Desper, John","Interdependence of structure and physical properties in co-crystals of azopyridines","CrystEngComm","2013","15","3","463","","10.1039/c2ce26153g","","","0.71073","MoKα","","0.0585","0.0476","","","0.1372","0.1484","","","","","","1.087","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208904","7.0388","0.0014","8.2451","0.0018","17.49","0.004","77.525","0.014","80.368","0.013","85.474","0.014","976.1","0.4","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","03-03BD (3-pyridyl)-N=N-(3-pyridyl), HOOC-(CH2)8-COOH","","- C20 H26 N4 O4 -","- C20 H26 N4 O4 -","- C40 H52 N8 O8 -","2","1","","Aakeröy, Christer B.; Panikkattu, Sheelu; DeHaven, Baillie; Desper, John","Interdependence of structure and physical properties in co-crystals of azopyridines","CrystEngComm","2013","15","3","463","","10.1039/c2ce26153g","","","0.71073","MoKα","","0.1782","0.093","","","0.2017","0.2462","","","","","","1.177","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208905","5.8269","0.0006","8.6817","0.0008","9.0827","0.0009","76.314","0.006","87.963","0.006","77.486","0.006","435.76","0.08","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","05:04BD (4-pyridyl)-N=N-(4-pyridyl), HOOC-(CH2)6-COOH","","- C18 H22 N4 O4 -","- C18 H22 N4 O4 -","- C18 H22 N4 O4 -","1","0.5","","Aakeröy, Christer B.; Panikkattu, Sheelu; DeHaven, Baillie; Desper, John","Interdependence of structure and physical properties in co-crystals of azopyridines","CrystEngComm","2013","15","3","463","","10.1039/c2ce26153g","","","0.71073","MoKα","","0.0767","0.0504","","","0.1308","0.1459","","","","","","1.075","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208906","12.089","0.011","14.791","0.013","15.76","0.014","87.779","0.013","74.046","0.012","70.035","0.012","2542","4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H41 N4 Ni2 O14.5 -","- C48 H41 N4 Ni2 O14.5 -","- C96 H82 N8 Ni4 O29 -","2","1","","Hu, Feilong; Zou, Huahong; Zhao, Xuebo; Mi, Yan; Luo, Caili; Wang, Yunxiao","Second ligands-assisted structural variation of entangled coordination polymers with polycatenated or polythreaded features","CrystEngComm","2013","15","6","1068","","10.1039/c2ce26165k","","","0.71073","MoKα","","0.2047","0.0785","","","0.1637","0.2224","","","","","","0.976","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208907","12.215","0.003","14.94","0.004","15.929","0.004","88.1","0.003","73.721","0.003","70.836","0.003","2630.2","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H47 N5 Ni2 O15 -","- C51 H47 N5 Ni2 O15 -","- C102 H94 N10 Ni4 O30 -","2","1","","Hu, Feilong; Zou, Huahong; Zhao, Xuebo; Mi, Yan; Luo, Caili; Wang, Yunxiao","Second ligands-assisted structural variation of entangled coordination polymers with polycatenated or polythreaded features","CrystEngComm","2013","15","6","1068","","10.1039/c2ce26165k","","","0.71073","MoKα","","0.1273","0.0607","","","0.1313","0.1586","","","","","","1.019","","","","has coordinates,has disorder","180420","2020-10-21","18:00:00",""
"7208908","11.275","0.005","13.288","0.006","18.774","0.008","92.211","0.006","100.988","0.005","104.96","0.005","2656","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H49 N4 Ni2 O19 -","- C55 H49 N4 Ni2 O19 -","- C110 H98 N8 Ni4 O38 -","2","1","","Hu, Feilong; Zou, Huahong; Zhao, Xuebo; Mi, Yan; Luo, Caili; Wang, Yunxiao","Second ligands-assisted structural variation of entangled coordination polymers with polycatenated or polythreaded features","CrystEngComm","2013","15","6","1068","","10.1039/c2ce26165k","","","0.71073","MoKα","","0.0834","0.051","","","0.1219","0.1392","","","","","","1.018","","","","has coordinates,has disorder","180420","2020-10-21","18:00:00",""
"7208909","14.858","0.018","15.017","0.018","15.9","0.018","64.059","0.015","71.167","0.015","76.371","0.015","3001","6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C118 H103 Cu5 N12 O37 -","- C118 H103 Cu5 N12 O37 -","- C118 H103 Cu5 N12 O37 -","1","0.5","","Hu, Feilong; Zou, Huahong; Zhao, Xuebo; Mi, Yan; Luo, Caili; Wang, Yunxiao","Second ligands-assisted structural variation of entangled coordination polymers with polycatenated or polythreaded features","CrystEngComm","2013","15","6","1068","","10.1039/c2ce26165k","","","0.71073","MoKα","","0.1137","0.0666","","","0.1803","0.2146","","","","","","1.005","","","","has coordinates,has disorder","180420","2020-10-21","18:00:00",""
"7208910","10.682","0.007","15.358","0.01","20.449","0.014","90","","93.388","0.008","90","","3349","4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C76 H54 Co3 N4 O20 -","- C76 H54 Co3 N4 O20 -","- C152 H108 Co6 N8 O40 -","2","0.5","","Hu, Feilong; Zou, Huahong; Zhao, Xuebo; Mi, Yan; Luo, Caili; Wang, Yunxiao","Second ligands-assisted structural variation of entangled coordination polymers with polycatenated or polythreaded features","CrystEngComm","2013","15","6","1068","","10.1039/c2ce26165k","","","0.71073","MoKα","","0.1921","0.089","","","0.1955","0.2355","","","","","","0.999","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208911","14.001","0.01","10.758","0.008","16.911","0.012","90","","105.111","0.008","90","","2459","3","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C56 H33 Co3 N0 O19 -","- C56 H33 Co3 O19 -","- C112 H66 Co6 O38 -","2","0.5","","Hu, Feilong; Zou, Huahong; Zhao, Xuebo; Mi, Yan; Luo, Caili; Wang, Yunxiao","Second ligands-assisted structural variation of entangled coordination polymers with polycatenated or polythreaded features","CrystEngComm","2013","15","6","1068","","10.1039/c2ce26165k","","","0.71073","MoKα","","0.0618","0.0393","","","0.0813","0.0911","","","","","","1.015","","","","has coordinates,has disorder","180420","2020-10-21","18:00:00",""
"7208912","29.685","0.008","18.809","0.005","10.441","0.003","90","","97.5","0.003","90","","5780","3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H50 Co3 N8 O22 S -","- C52 H50 Co3 N8 O22 S -","- C208 H200 Co12 N32 O88 S4 -","4","0.5","","Hu, Feilong; Zou, Huahong; Zhao, Xuebo; Mi, Yan; Luo, Caili; Wang, Yunxiao","Second ligands-assisted structural variation of entangled coordination polymers with polycatenated or polythreaded features","CrystEngComm","2013","15","6","1068","","10.1039/c2ce26165k","","","0.71073","MoKα","","0.0562","0.0418","","","0.1089","0.1189","","","","","","1.033","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208913","19.052","0.002","18.588","0.002","28.092","0.004","90","","90","","90","","9948","2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H38 Br5 Cd6 N41 O -","- C16 H38 Br5 Cd6 N41 O -","- C128 H304 Br40 Cd48 N328 O8 -","8","1","","Lin, Jian-Di; Wang, Shuai-Hua; Cai, Li-Zhen; Zheng, Fa-Kun; Guo, Guo-Cong; Huang, Jin-Shun","Tetraalkylammonium cations as templates in the construction of two cadmium(ii) metal‒organic frameworks","CrystEngComm","2013","15","5","903","","10.1039/c2ce26213d","","","0.71073","MoKα","","0.0381","0.0366","","","0.0838","0.0847","","","","","","1.054","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208914","12.724","0.007","13.439","0.007","23.509","0.012","90","","90","","90","","4020","4","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C16 H36 Br5 Cd4 N21 -","- C16 H36 Br5 Cd4 N21 -","- C64 H144 Br20 Cd16 N84 -","4","0.5","","Lin, Jian-Di; Wang, Shuai-Hua; Cai, Li-Zhen; Zheng, Fa-Kun; Guo, Guo-Cong; Huang, Jin-Shun","Tetraalkylammonium cations as templates in the construction of two cadmium(ii) metal‒organic frameworks","CrystEngComm","2013","15","5","903","","10.1039/c2ce26213d","","","0.71073","MoKα","","0.0477","0.0413","","","0.104","0.1078","","","","","","1.029","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208915","8.7258","0.0011","10.6743","0.0006","11.7457","0.0011","65.623","0.012","78.885","0.014","76.553","0.014","963.36","0.19","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H18 Cd N2 O9 S2 -","- C15 H16 Cd N2 O9 S2 -","- C30 H32 Cd2 N4 O18 S4 -","2","1","","Shao, Ming-Yan; Huo, Peng; Sun, Yong-Gang; Li, Xin-Yu; Zhu, Qin-Yu; Dai, Jie","Synthetic methods and structural study of coordination polymers of Cd(ii) and Co(ii) with tetrathiafulvalene‒tetracarboxylate","CrystEngComm","2013","15","6","1086","","10.1039/c2ce26219c","","","0.71075","MoKα","","0.068","0.0496","","","0.0997","0.1083","","","","","","1.05","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208916","10.736","0.0013","23.426","0.003","16.561","0.002","90","","95.698","0.004","90","","4144.5","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H40 Cd2 N4 O15 S4 -","- C35 H34 Cd2 N4 O15 S4 -","- C140 H136 Cd8 N16 O60 S16 -","4","0.5","","Shao, Ming-Yan; Huo, Peng; Sun, Yong-Gang; Li, Xin-Yu; Zhu, Qin-Yu; Dai, Jie","Synthetic methods and structural study of coordination polymers of Cd(ii) and Co(ii) with tetrathiafulvalene‒tetracarboxylate","CrystEngComm","2013","15","6","1086","","10.1039/c2ce26219c","","","0.71075","MoKα","","0.0969","0.0728","","","0.1691","0.1824","","","","","","1.157","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208917","10.8173","0.0018","23.278","0.004","16.465","0.003","90","","97.66","0.005","90","","4109","1.2","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 Cd N2 O8 S2 -","- C18 H8 Cd N2 O8 S2 -","- C144 H64 Cd8 N16 O64 S16 -","8","1","","Shao, Ming-Yan; Huo, Peng; Sun, Yong-Gang; Li, Xin-Yu; Zhu, Qin-Yu; Dai, Jie","Synthetic methods and structural study of coordination polymers of Cd(ii) and Co(ii) with tetrathiafulvalene‒tetracarboxylate","CrystEngComm","2013","15","6","1086","","10.1039/c2ce26219c","","","0.71075","MoKα","","0.1187","0.0799","","","0.1307","0.146","","","","","","1.18","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208918","9.048","0.0011","10.9486","0.0015","12.7222","0.0018","106.62","0.002","103.906","0.003","102.182","0.002","1118","0.3","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H20 Co N2 O9 S2 -","- C18 H12 Co N2 O9 S2 -","- C36 H24 Co2 N4 O18 S4 -","2","1","","Shao, Ming-Yan; Huo, Peng; Sun, Yong-Gang; Li, Xin-Yu; Zhu, Qin-Yu; Dai, Jie","Synthetic methods and structural study of coordination polymers of Cd(ii) and Co(ii) with tetrathiafulvalene‒tetracarboxylate","CrystEngComm","2013","15","6","1086","","10.1039/c2ce26219c","","","0.71075","MoKα","","0.0984","0.0813","","","0.1708","0.1808","","","","","","1.001","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208919","8.913","0.003","21.652","0.006","10.046","0.004","90","","110.545","0.011","90","","1815.4","1.1","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 Co N2 O7 S2 -","- C17 H8 Co N2 O7 S2 -","- C68 H32 Co4 N8 O28 S8 -","4","1","","Shao, Ming-Yan; Huo, Peng; Sun, Yong-Gang; Li, Xin-Yu; Zhu, Qin-Yu; Dai, Jie","Synthetic methods and structural study of coordination polymers of Cd(ii) and Co(ii) with tetrathiafulvalene‒tetracarboxylate","CrystEngComm","2013","15","6","1086","","10.1039/c2ce26219c","","","0.71075","MoKα","","0.1625","0.098","","","0.1378","0.166","","","","","","1.01","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208920","22.748","0.005","10.543","0.002","15.131","0.003","90","","108.49","0.03","90","","3441.6","1.4","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 Co N2 O5 S2 -","- C16 H12 Co N2 O5 S2 -","- C128 H96 Co8 N16 O40 S16 -","8","1","","Shao, Ming-Yan; Huo, Peng; Sun, Yong-Gang; Li, Xin-Yu; Zhu, Qin-Yu; Dai, Jie","Synthetic methods and structural study of coordination polymers of Cd(ii) and Co(ii) with tetrathiafulvalene‒tetracarboxylate","CrystEngComm","2013","15","6","1086","","10.1039/c2ce26219c","","","0.71073","MoKα","","0.1736","0.0953","","","0.1429","0.1752","","","","","","1.078","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208921","15.9051","0.0013","15.9844","0.0013","18.1694","0.0015","74.805","0.003","89.245","0.003","63.414","0.002","3957.3","0.6","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H106 Er N27 O38 -","- C60 H72 Er N27 O25 -","- C120 H144 Er2 N54 O50 -","2","1","","Qin, Xiao; Ni, Xin-Long; Hu, Jing-Xu; Chen, Kai; Zhang, Yun-Qian; Redshaw, Carl; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Macrocycle-based metal ion complexation: a study of the lanthanide contraction effect towards hexacyclohexanocucurbit[6]uil","CrystEngComm","2013","15","4","738","","10.1039/c2ce26225h","","","0.71073","MoKα","","0.044","0.0412","","","0.1257","0.1288","","","","","","1.098","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208922","15.8697","0.0013","15.9935","0.0012","18.2482","0.0014","74.793","0.003","89.019","0.003","63.367","0.002","3968","0.5","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H106 Gd N27 O38 -","- C60 H72 Gd N27 O25 -","- C120 H144 Gd2 N54 O50 -","2","1","","Qin, Xiao; Ni, Xin-Long; Hu, Jing-Xu; Chen, Kai; Zhang, Yun-Qian; Redshaw, Carl; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Macrocycle-based metal ion complexation: a study of the lanthanide contraction effect towards hexacyclohexanocucurbit[6]uil","CrystEngComm","2013","15","4","738","","10.1039/c2ce26225h","","","0.71073","MoKα","","0.0563","0.0491","","","0.1385","0.1499","","","","","","1.071","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208923","15.9003","0.0008","15.9406","0.0008","18.1921","0.0009","74.646","0.002","89.345","0.002","63.329","0.002","3942.3","0.4","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H106 N27 O38 Y -","- C60 H72 N27 O25 Y -","- C120 H144 N54 O50 Y2 -","2","1","","Qin, Xiao; Ni, Xin-Long; Hu, Jing-Xu; Chen, Kai; Zhang, Yun-Qian; Redshaw, Carl; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Macrocycle-based metal ion complexation: a study of the lanthanide contraction effect towards hexacyclohexanocucurbit[6]uil","CrystEngComm","2013","15","4","738","","10.1039/c2ce26225h","","","0.71073","MoKα","","0.0817","0.0585","","","0.16","0.1734","","","","","","1.064","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208924","15.8719","0.0008","15.9679","0.0008","18.3263","0.0009","74.45","0.002","88.987","0.002","63.323","0.002","3969.8","0.4","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H106 N27 O38 Sm -","- C60 H72 N27 O25 Sm -","- C120 H144 N54 O50 Sm2 -","2","1","","Qin, Xiao; Ni, Xin-Long; Hu, Jing-Xu; Chen, Kai; Zhang, Yun-Qian; Redshaw, Carl; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Macrocycle-based metal ion complexation: a study of the lanthanide contraction effect towards hexacyclohexanocucurbit[6]uil","CrystEngComm","2013","15","4","738","","10.1039/c2ce26225h","","","0.71073","MoKα","","0.0488","0.0432","","","0.1178","0.1215","","","","","","1.042","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208925","15.9117","0.0007","15.9777","0.0006","18.2073","0.0007","74.75","0.001","89.332","0.002","63.384","0.001","3962.3","0.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H106 Dy N27 O38 -","- C60 H72 Dy N27 O25 -","- C120 H144 Dy2 N54 O50 -","2","1","","Qin, Xiao; Ni, Xin-Long; Hu, Jing-Xu; Chen, Kai; Zhang, Yun-Qian; Redshaw, Carl; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Macrocycle-based metal ion complexation: a study of the lanthanide contraction effect towards hexacyclohexanocucurbit[6]uil","CrystEngComm","2013","15","4","738","","10.1039/c2ce26225h","","","0.71073","MoKα","","0.0505","0.0453","","","0.1349","0.1396","","","","","","1.092","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208926","15.8602","0.0007","15.9685","0.0006","18.0548","0.0008","74.91","0.001","89.449","0.002","63.404","0.001","3917.4","0.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H106 N27 O38 Yb -","- C60 H72 N27 O25 Yb -","- C120 H144 N54 O50 Yb2 -","2","1","","Qin, Xiao; Ni, Xin-Long; Hu, Jing-Xu; Chen, Kai; Zhang, Yun-Qian; Redshaw, Carl; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Macrocycle-based metal ion complexation: a study of the lanthanide contraction effect towards hexacyclohexanocucurbit[6]uil","CrystEngComm","2013","15","4","738","","10.1039/c2ce26225h","","","0.71073","MoKα","","0.0341","0.0314","","","0.0867","0.0889","","","","","","1.056","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208927","10.7042","0.0006","14.7774","0.0008","29.5216","0.0016","77.486","0.002","81.423","0.002","69.116","0.002","4246","0.4","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H124 Cl2 N25 O41 Pr -","- C60 H72 Cl2 N25 O20 Pr -","- C120 H144 Cl4 N50 O40 Pr2 -","2","1","","Qin, Xiao; Ni, Xin-Long; Hu, Jing-Xu; Chen, Kai; Zhang, Yun-Qian; Redshaw, Carl; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Macrocycle-based metal ion complexation: a study of the lanthanide contraction effect towards hexacyclohexanocucurbit[6]uil","CrystEngComm","2013","15","4","738","","10.1039/c2ce26225h","","","0.71073","MoKα","","0.0878","0.0739","","","0.2161","0.2293","","","","","","1.094","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208928","15.8602","0.0006","15.9876","0.0006","18.2197","0.0006","74.954","0.001","89.086","0.001","63.282","0.001","3957.9","0.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H106 Eu N27 O38 -","- C60 H72 Eu N27 O25 -","- C120 H144 Eu2 N54 O50 -","2","1","","Qin, Xiao; Ni, Xin-Long; Hu, Jing-Xu; Chen, Kai; Zhang, Yun-Qian; Redshaw, Carl; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Macrocycle-based metal ion complexation: a study of the lanthanide contraction effect towards hexacyclohexanocucurbit[6]uil","CrystEngComm","2013","15","4","738","","10.1039/c2ce26225h","","","0.71073","MoKα","","0.0433","0.0372","","","0.1033","0.107","","","","","","1.077","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208929","10.6667","0.0008","28.785","0.002","14.6296","0.0011","90","","110.47","0.002","90","","4208.2","0.5","223","2","223","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C60 H128 Cl2 N25 O43 Pr -","- C60 H64 Cl2 N25 O19 Pr -","- C120 H128 Cl4 N50 O38 Pr2 -","2","0.5","","Qin, Xiao; Ni, Xin-Long; Hu, Jing-Xu; Chen, Kai; Zhang, Yun-Qian; Redshaw, Carl; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Macrocycle-based metal ion complexation: a study of the lanthanide contraction effect towards hexacyclohexanocucurbit[6]uil","CrystEngComm","2013","15","4","738","","10.1039/c2ce26225h","","","0.71073","MoKα","","0.1504","0.1109","","","0.3278","0.3602","","","","","","1.264","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208930","15.845","0.0007","15.9385","0.0007","18.1401","0.0008","74.731","0.002","89.311","0.002","63.456","0.002","3923.9","0.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H104 Ho N27 O37 -","- C60 H72 Ho N27 O25 -","- C120 H144 Ho2 N54 O50 -","2","1","","Qin, Xiao; Ni, Xin-Long; Hu, Jing-Xu; Chen, Kai; Zhang, Yun-Qian; Redshaw, Carl; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Macrocycle-based metal ion complexation: a study of the lanthanide contraction effect towards hexacyclohexanocucurbit[6]uil","CrystEngComm","2013","15","4","738","","10.1039/c2ce26225h","","","0.71073","MoKα","","0.0468","0.0407","","","0.1137","0.1177","","","","","","1.092","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208931","15.8446","0.0006","15.9631","0.0007","18.1699","0.0007","74.865","0.001","89.206","0.001","63.336","0.001","3936","0.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H106 N27 O38 Tb -","- C60 H72 N27 O25 Tb -","- C120 H144 N54 O50 Tb2 -","2","1","","Qin, Xiao; Ni, Xin-Long; Hu, Jing-Xu; Chen, Kai; Zhang, Yun-Qian; Redshaw, Carl; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Macrocycle-based metal ion complexation: a study of the lanthanide contraction effect towards hexacyclohexanocucurbit[6]uil","CrystEngComm","2013","15","4","738","","10.1039/c2ce26225h","","","0.71073","MoKα","","0.0529","0.0449","","","0.1217","0.1268","","","","","","1.094","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208932","17.7064","0.0013","26.467","0.002","21.98","0.0016","90","","111.594","0.002","90","","9577.7","1.2","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H136 Cl2 Lu2 N28 O56 -","- C60 H72 Cl2 Lu2 N28 O36 -","- C240 H288 Cl8 Lu8 N112 O144 -","4","0.5","","Qin, Xiao; Ni, Xin-Long; Hu, Jing-Xu; Chen, Kai; Zhang, Yun-Qian; Redshaw, Carl; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Macrocycle-based metal ion complexation: a study of the lanthanide contraction effect towards hexacyclohexanocucurbit[6]uil","CrystEngComm","2013","15","4","738","","10.1039/c2ce26225h","","","0.71073","MoKα","","0.0493","0.0388","","","0.1092","0.114","","","","","","1.101","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208933","15.558","0.002","15.609","0.002","20.746","0.002","104.25","0.004","95.811","0.004","119.308","0.004","4108.9","0.9","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C120 H218 N60 Nd4 O97 -","- C120 H144 N60 Nd4 O76 -","- C120 H144 N60 Nd4 O76 -","1","0.5","","Qin, Xiao; Ni, Xin-Long; Hu, Jing-Xu; Chen, Kai; Zhang, Yun-Qian; Redshaw, Carl; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Macrocycle-based metal ion complexation: a study of the lanthanide contraction effect towards hexacyclohexanocucurbit[6]uil","CrystEngComm","2013","15","4","738","","10.1039/c2ce26225h","","","0.71073","MoKα","","0.0997","0.0927","","","0.2341","0.238","","","","","","1.071","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208934","15.5784","0.0009","15.6145","0.0009","20.8875","0.0017","104.115","0.003","95.999","0.003","119.254","0.002","4146.1","0.5","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C120 H208 Ce4 N60 O92 -","- C120 H144 Ce4 N60 O76 -","- C120 H144 Ce4 N60 O76 -","1","0.5","","Qin, Xiao; Ni, Xin-Long; Hu, Jing-Xu; Chen, Kai; Zhang, Yun-Qian; Redshaw, Carl; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Macrocycle-based metal ion complexation: a study of the lanthanide contraction effect towards hexacyclohexanocucurbit[6]uil","CrystEngComm","2013","15","4","738","","10.1039/c2ce26225h","","","0.71073","MoKα","","0.0483","0.044","","","0.1173","0.1204","","","","","","1.052","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208935","15.5568","0.0018","15.6496","0.0019","21.03","0.002","104.42","0.004","95.91","0.004","119.074","0.004","4179.3","0.8","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C120 H212 La4 N60 O94 -","- C120 H144 La4 N60 O76 -","- C120 H144 La4 N60 O76 -","1","0.5","","Qin, Xiao; Ni, Xin-Long; Hu, Jing-Xu; Chen, Kai; Zhang, Yun-Qian; Redshaw, Carl; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Macrocycle-based metal ion complexation: a study of the lanthanide contraction effect towards hexacyclohexanocucurbit[6]uil","CrystEngComm","2013","15","4","738","","10.1039/c2ce26225h","","","0.71073","MoKα","","0.084","0.0765","","","0.1871","0.1907","","","","","","1.074","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208936","16.0445","0.0012","27.598","0.002","9.9439","0.0009","90","","95.898","0.009","90","","4379.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H32 Er2 N2 O17 -","- C45 H31 Er2 N2 O17 -","- C180 H124 Er8 N8 O68 -","4","1","","Jiang, Zhi-Qiang; Jiang, Gui-Yuan; Hou, Duan-Chuan; Wang, Fei; Zhao, Zhen; Zhang, Jian","Urothermal synthesis of photoluminescent lanthanide‒organic frameworks with unusual topologies","CrystEngComm","2013","15","2","315","","10.1039/c2ce26242h","","","0.71073","MoKα","","0.0587","0.0414","","","0.0967","0.102","","","","","","0.888","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208937","16.0603","0.0005","27.6878","0.0011","9.9639","0.0005","90","","96.019","0.004","90","","4406.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H32 N2 O17 Yb2 -","- C45 H32 N2 O17 Yb2 -","- C180 H128 N8 O68 Yb8 -","4","1","","Jiang, Zhi-Qiang; Jiang, Gui-Yuan; Hou, Duan-Chuan; Wang, Fei; Zhao, Zhen; Zhang, Jian","Urothermal synthesis of photoluminescent lanthanide‒organic frameworks with unusual topologies","CrystEngComm","2013","15","2","315","","10.1039/c2ce26242h","","","0.71073","MoKα","","0.0543","0.0424","","","0.1039","0.1098","","","","","","1.078","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208938","16.0587","0.0004","27.6658","0.0006","9.9524","0.0003","90","","96.044","0.002","90","","4397","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H32 Ho2 N2 O17 -","- C45 H32 Ho2 N2 O17 -","- C180 H128 Ho8 N8 O68 -","4","1","","Jiang, Zhi-Qiang; Jiang, Gui-Yuan; Hou, Duan-Chuan; Wang, Fei; Zhao, Zhen; Zhang, Jian","Urothermal synthesis of photoluminescent lanthanide‒organic frameworks with unusual topologies","CrystEngComm","2013","15","2","315","","10.1039/c2ce26242h","","","0.71073","MoKα","","0.0592","0.0447","","","0.1072","0.1142","","","","","","1.097","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208939","8.8868","0.0005","29.0154","0.0014","16.6276","0.0012","90","","91.827","0.006","90","","4285.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H36 N2 O19 Tb2 -","- C45 H36 N2 O19 Tb2 -","- C180 H144 N8 O76 Tb8 -","4","1","","Jiang, Zhi-Qiang; Jiang, Gui-Yuan; Hou, Duan-Chuan; Wang, Fei; Zhao, Zhen; Zhang, Jian","Urothermal synthesis of photoluminescent lanthanide‒organic frameworks with unusual topologies","CrystEngComm","2013","15","2","315","","10.1039/c2ce26242h","","","0.71073","MoKα","","0.0647","0.0356","","","0.0908","0.1022","","","","","","0.64","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208940","8.898","0.0004","28.9894","0.0012","16.6177","0.0006","90","","91.95","0.004","90","","4284","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H36 Dy2 N2 O19 -","- C45 H36 Dy2 N2 O19 -","- C180 H144 Dy8 N8 O76 -","4","1","","Jiang, Zhi-Qiang; Jiang, Gui-Yuan; Hou, Duan-Chuan; Wang, Fei; Zhao, Zhen; Zhang, Jian","Urothermal synthesis of photoluminescent lanthanide‒organic frameworks with unusual topologies","CrystEngComm","2013","15","2","315","","10.1039/c2ce26242h","","","0.71073","MoKα","","0.0818","0.0675","","","0.1598","0.1688","","","","","","1.477","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208941","8.9134","0.0003","29.0448","0.001","16.6484","0.0005","90","","91.909","0.003","90","","4307.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H36 Eu2 N2 O19 -","- C45 H36 Eu2 N2 O19 -","- C180 H144 Eu8 N8 O76 -","4","1","","Jiang, Zhi-Qiang; Jiang, Gui-Yuan; Hou, Duan-Chuan; Wang, Fei; Zhao, Zhen; Zhang, Jian","Urothermal synthesis of photoluminescent lanthanide‒organic frameworks with unusual topologies","CrystEngComm","2013","15","2","315","","10.1039/c2ce26242h","","","0.71073","MoKα","","0.068","0.0538","","","0.156","0.1715","","","","","","1.161","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208942","18.055","0.0004","16.3958","0.0003","29.0934","0.0007","90","","90","","90","","8612.4","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C45 H32 La2 N2 O18 -","- C45 H32 La2 N2 O18 -","- C360 H256 La16 N16 O144 -","8","1","","Jiang, Zhi-Qiang; Jiang, Gui-Yuan; Hou, Duan-Chuan; Wang, Fei; Zhao, Zhen; Zhang, Jian","Urothermal synthesis of photoluminescent lanthanide‒organic frameworks with unusual topologies","CrystEngComm","2013","15","2","315","","10.1039/c2ce26242h","","","0.71073","MoKα","","0.0457","0.0259","","","0.077","0.0855","","","","","","0.58","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208943","23.4064","0.001","5.9565","0.0002","33.4858","0.0017","90","","121.375","0.003","90","","3985.9","0.3","293","2","293","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C42 H36 O21 Sm2 -","- C42 H36 O21 Sm2 -","- C168 H144 O84 Sm8 -","4","1","","Jiang, Zhi-Qiang; Jiang, Gui-Yuan; Hou, Duan-Chuan; Wang, Fei; Zhao, Zhen; Zhang, Jian","Urothermal synthesis of photoluminescent lanthanide‒organic frameworks with unusual topologies","CrystEngComm","2013","15","2","315","","10.1039/c2ce26242h","","","0.71073","MoKα","","0.0528","0.0338","","","0.0693","0.0724","","","","","","0.962","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208944","23.571","0.005","14.997","0.003","20.221","0.004","90","","93.55","0.03","90","","7134","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H28 Cu2 Mo4 N8 O13 -","- C28 H28 Cu2 Mo4 N8 O13 -","- C224 H224 Cu16 Mo32 N64 O104 -","8","1","","Hou, Guang-Feng; Wang, Xiao-Dan; Yu, Ying-Hui; Gao, Jin-Sheng; Wen, Bo; Yan, Peng-Fei","A new topology constructed from an octamolybdate and metallomacrocycle coordination complex","CrystEngComm","2013","15","2","249","","10.1039/c2ce26250a","","","0.71073","MoKα","","0.052","0.0389","","","0.0617","0.0652","","","","","","1.058","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208945","11.0516","0.0008","12.4783","0.001","12.7662","0.001","105.868","0.001","98.2301","0.001","115.649","0.0011","1455.5","0.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H46 Eu4 N6 O41 S2 Zn -","- C40 H46 Eu4 N6 O41 S2 Zn -","- C40 H46 Eu4 N6 O41 S2 Zn -","1","0.5","","Peng, Guo; Ma, Li; Liang, Li; Ma, Yingzhao; Yang, Chengfeng; Deng, Hong","3d‒4f Heterometallic coordination polymers constructed by tetranuclear lanthanide-based cluster as secondary building unit","CrystEngComm","2013","15","5","922","","10.1039/c2ce26277k","","","0.71073","MoKα","","0.0359","0.028","","","0.0653","0.0697","","","","","","1.036","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7208946","10.9441","0.0013","12.4765","0.0015","12.7277","0.0016","105.947","0.002","98.136","0.002","115.568","0.001","1438","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H46 N6 O41 S2 Tb4 Zn -","- C40 H46 N6 O41 S2 Tb4 Zn -","- C40 H46 N6 O41 S2 Tb4 Zn -","1","0.5","","Peng, Guo; Ma, Li; Liang, Li; Ma, Yingzhao; Yang, Chengfeng; Deng, Hong","3d‒4f Heterometallic coordination polymers constructed by tetranuclear lanthanide-based cluster as secondary building unit","CrystEngComm","2013","15","5","922","","10.1039/c2ce26277k","","","0.71073","MoKα","","0.0322","0.0232","","","0.0542","0.0605","","","","","","1.051","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7208947","11.0202","0.0006","12.5108","0.0006","12.9049","0.0011","106.603","0.001","97.781","0.0011","115.596","0.001","1467.13","0.17","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H46 Gd4 Mn N6 O41 S2 -","- C40 H46 Gd4 Mn N6 O41 S2 -","- C40 H46 Gd4 Mn N6 O41 S2 -","1","0.5","","Peng, Guo; Ma, Li; Liang, Li; Ma, Yingzhao; Yang, Chengfeng; Deng, Hong","3d‒4f Heterometallic coordination polymers constructed by tetranuclear lanthanide-based cluster as secondary building unit","CrystEngComm","2013","15","5","922","","10.1039/c2ce26277k","","","0.71073","MoKα","","0.0294","0.0252","","","0.06","0.0623","","","","","","1.024","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7208948","10.7899","0.0015","12.0807","0.0016","14.438","0.0019","76.362","0.002","68.371","0.003","65.305","0.002","1582","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H52 Dy4 Mn N6 O49 S2 -","- C42 H52 Dy4 Mn N6 O49 S2 -","- C42 H52 Dy4 Mn N6 O49 S2 -","1","0.5","","Peng, Guo; Ma, Li; Liang, Li; Ma, Yingzhao; Yang, Chengfeng; Deng, Hong","3d‒4f Heterometallic coordination polymers constructed by tetranuclear lanthanide-based cluster as secondary building unit","CrystEngComm","2013","15","5","922","","10.1039/c2ce26277k","","","0.71073","MoKα","","0.0369","0.0307","","","0.0792","0.0832","","","","","","1.028","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208949","20.81","0.002","8.8755","0.001","8.9926","0.0009","90","","96.024","0.01","90","","1651.8","0.3","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H21 La O10 -","- C12 H21 La O10 -","- C48 H84 La4 O40 -","4","1","","Saines, Paul J.; Steinmann, Mark; Tan, Jin-Chong; Yeung, Hamish H.-M.; Cheetham, Anthony K.","Structural diversity and luminescent properties of lanthanide 2,2- and 2,3-dimethylsuccinate frameworks","CrystEngComm","2013","15","1","100","","10.1039/c2ce26279g","","x-ray","0.71073","MoKα","","0.0868","0.0453","","","0.0979","0.1093","","","","","","1.001","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208950","20.7047","0.0004","8.8643","0.0001","8.8911","0.0001","90","","90","","90","","1631.81","0.04","120","2","120","2","","","","","","","synthesis as described","4","P b c n","-P 2n 2ab","60","","","","- C12 H21 Ce O10 -","- C12 H21 Ce O10 -","- C48 H84 Ce4 O40 -","4","0.5","","Saines, Paul J.; Steinmann, Mark; Tan, Jin-Chong; Yeung, Hamish H.-M.; Cheetham, Anthony K.","Structural diversity and luminescent properties of lanthanide 2,2- and 2,3-dimethylsuccinate frameworks","CrystEngComm","2013","15","1","100","","10.1039/c2ce26279g","","x-ray","0.71073","MoKα","","0.0359","0.0227","","","0.0456","0.0516","","","","","","1.047","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208951","11.0074","0.0013","11.1582","0.0012","12.1118","0.0012","98.66","0.009","103.678","0.009","118.293","0.011","1211.3","0.3","120","2","120","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C18 H28 Ce2 O14 -","- C18 H28 Ce2 O14 -","- C36 H56 Ce4 O28 -","2","1","","Saines, Paul J.; Steinmann, Mark; Tan, Jin-Chong; Yeung, Hamish H.-M.; Cheetham, Anthony K.","Structural diversity and luminescent properties of lanthanide 2,2- and 2,3-dimethylsuccinate frameworks","CrystEngComm","2013","15","1","100","","10.1039/c2ce26279g","","x-ray","1.54184","CuKα","","0.0651","0.0538","","","0.1422","0.1545","","","","","","1.073","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208952","34.7924","0.0019","12.5064","0.0008","11.5839","0.0007","90","","90","","90","","5040.5","0.5","120","2","120","2","","","","","","","synthesis as described","4","P c c n","-P 2ab 2ac","56","","","","- C18 H30 Eu2 O15 -","- C18 H30 Eu2 O15 -","- C144 H240 Eu16 O120 -","8","1","","Saines, Paul J.; Steinmann, Mark; Tan, Jin-Chong; Yeung, Hamish H.-M.; Cheetham, Anthony K.","Structural diversity and luminescent properties of lanthanide 2,2- and 2,3-dimethylsuccinate frameworks","CrystEngComm","2013","15","1","100","","10.1039/c2ce26279g","","x-ray","1.54184","CuKα","","0.0591","0.051","","","0.1205","0.126","","","","","","1.073","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208953","34.6706","0.0011","12.5002","0.0003","11.5584","0.0004","90","","90","","90","","5009.3","0.3","120","2","120","2","","","","","","","synthesis as described","4","P c c n","-P 2ab 2ac","56","","","","- C18 H30 O15 Tb2 -","- C18 H30 O15 Tb2 -","- C144 H240 O120 Tb16 -","8","1","","Saines, Paul J.; Steinmann, Mark; Tan, Jin-Chong; Yeung, Hamish H.-M.; Cheetham, Anthony K.","Structural diversity and luminescent properties of lanthanide 2,2- and 2,3-dimethylsuccinate frameworks","CrystEngComm","2013","15","1","100","","10.1039/c2ce26279g","","x-ray","0.71073","MoKα","","0.043","0.0322","","","0.0562","0.0589","","","","","","1.162","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208954","5.8422","0.0003","9.8906","0.0004","21.5267","0.001","90","","93.957","0.004","90","","1240.91","0.1","120","2","120","2","","","","","","","synthesis as described","4","P 1 2/c 1","-P 2yc","13","","","","- C18 H34 O17 Y2 -","- C18 H32 O17 Y2 -","- C36 H64 O34 Y4 -","2","0.5","","Saines, Paul J.; Steinmann, Mark; Tan, Jin-Chong; Yeung, Hamish H.-M.; Cheetham, Anthony K.","Structural diversity and luminescent properties of lanthanide 2,2- and 2,3-dimethylsuccinate frameworks","CrystEngComm","2013","15","1","100","","10.1039/c2ce26279g","","x-ray","1.54184","CuKα","","0.0891","0.086","","","0.1903","0.1918","","","","","","1.241","","","","has coordinates,has disorder","180420","2020-10-21","18:00:00",""
"7208955","5.8717","0.0008","9.8057","0.0018","11.979","0.002","70.102","0.016","80.008","0.013","89.723","0.013","637.6","0.19","293","2","293","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C9 H16 O8 Y -","- C9 H16 O8 Y -","- C18 H32 O16 Y2 -","2","1","","Saines, Paul J.; Steinmann, Mark; Tan, Jin-Chong; Yeung, Hamish H.-M.; Cheetham, Anthony K.","Structural diversity and luminescent properties of lanthanide 2,2- and 2,3-dimethylsuccinate frameworks","CrystEngComm","2013","15","1","100","","10.1039/c2ce26279g","","x-ray","1.54184","CuKα","","0.0759","0.0645","","","0.1865","0.1951","","","","","","1.148","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7208956","11.1645","0.0005","11.7892","0.001","18.3088","0.0014","89.219","0.006","87.563","0.005","72.844","0.006","2300.5","0.3","293","2","293","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C36 H50 O25 Y4 -","- C36 H50 O25 Y4 -","- C72 H100 O50 Y8 -","2","1","","Saines, Paul J.; Steinmann, Mark; Tan, Jin-Chong; Yeung, Hamish H.-M.; Cheetham, Anthony K.","Structural diversity and luminescent properties of lanthanide 2,2- and 2,3-dimethylsuccinate frameworks","CrystEngComm","2013","15","1","100","","10.1039/c2ce26279g","","x-ray","0.71073","MoKα","","0.0633","0.0321","","","0.0627","0.0814","","","","","","0.967","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208957","11.1375","0.0004","18.0442","0.0005","12.7462","0.0004","90","","112.496","0.004","90","","2366.65","0.15","120","2","120","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 Lu2 O13 -","- C18 H26 Lu2 O13 -","- C72 H104 Lu8 O52 -","4","1","","Saines, Paul J.; Steinmann, Mark; Tan, Jin-Chong; Yeung, Hamish H.-M.; Cheetham, Anthony K.","Structural diversity and luminescent properties of lanthanide 2,2- and 2,3-dimethylsuccinate frameworks","CrystEngComm","2013","15","1","100","","10.1039/c2ce26279g","","x-ray","0.71073","MoKα","","0.0392","0.0308","","","0.0622","0.0663","","","","","","1.04","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208958","11.8632","0.0002","13.0361","0.0003","13.1531","0.0002","116.813","0.002","94.042","0.001","113.589","0.002","1583.45","0.07","120","2","120","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C24 H37 Lu3 O19 -","- C24 H37 Lu3 O19 -","- C48 H74 Lu6 O38 -","2","1","","Saines, Paul J.; Steinmann, Mark; Tan, Jin-Chong; Yeung, Hamish H.-M.; Cheetham, Anthony K.","Structural diversity and luminescent properties of lanthanide 2,2- and 2,3-dimethylsuccinate frameworks","CrystEngComm","2013","15","1","100","","10.1039/c2ce26279g","","x-ray","0.71073","MoKα","","0.0248","0.0236","","","0.0634","0.0644","","","","","","1.113","","","","has coordinates,has disorder","180420","2020-10-21","18:00:00",""
"7208959","15.9284","0.0006","16.27","0.0004","11.882","0.0004","90","","92.683","0.003","90","","3075.91","0.17","120","2","120","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H33 Lu3 O17 -","- C24 H33 Lu3 O17 -","- C96 H132 Lu12 O68 -","4","1","","Saines, Paul J.; Steinmann, Mark; Tan, Jin-Chong; Yeung, Hamish H.-M.; Cheetham, Anthony K.","Structural diversity and luminescent properties of lanthanide 2,2- and 2,3-dimethylsuccinate frameworks","CrystEngComm","2013","15","1","100","","10.1039/c2ce26279g","","x-ray","0.71073","MoKα","","0.055","0.0372","","","0.0628","0.0692","","","","","","1.037","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208960","22.7053","0.0011","12.3557","0.0005","8.3931","0.0003","90","","93.878","0.004","90","","2349.21","0.17","120","2","120","2","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H14 La O7 -","- C9 H14 La O7 -","- C72 H112 La8 O56 -","8","1","","Saines, Paul J.; Steinmann, Mark; Tan, Jin-Chong; Yeung, Hamish H.-M.; Cheetham, Anthony K.","Structural diversity and luminescent properties of lanthanide 2,2- and 2,3-dimethylsuccinate frameworks","CrystEngComm","2013","15","1","100","","10.1039/c2ce26279g","","x-ray","0.71073","MoKα","","0.0429","0.0308","","","0.0604","0.0658","","","","","","1.003","","","","has coordinates,has disorder","180420","2020-10-21","18:00:00",""
"7208961","17.6673","0.0004","17.6673","0.0004","15.1787","0.0006","90","","90","","90","","4737.8","0.2","120","2","120","2","","","","","","","synthesis as described","4","P 41 21 2","P 4abw 2nw","92","","","","- C18 H24 O12 Y2 -","- C18 H24 O12 Y2 -","- C144 H192 O96 Y16 -","8","1","","Saines, Paul J.; Steinmann, Mark; Tan, Jin-Chong; Yeung, Hamish H.-M.; Cheetham, Anthony K.","Structural diversity and luminescent properties of lanthanide 2,2- and 2,3-dimethylsuccinate frameworks","CrystEngComm","2013","15","1","100","","10.1039/c2ce26279g","","x-ray","1.54184","CuKα","","0.0416","0.0393","","","0.0971","0.0985","","","","","","1.088","","","","has coordinates,has disorder","180420","2020-10-21","18:00:00",""
"7208962","15.5367","0.0003","7.2065","0.0001","15.8326","0.0003","90","","106.567","0.001","90","","1699.11","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 N O6 S -","- C18 H17 N O6 S -","- C72 H68 N4 O24 S4 -","4","1","","Yan, Zhiqing; Bolokowicz, Andrew J.; Collett, Teage K.; Reeb, Sarah A.; Wiseman, Joshua D.; Wheeler, Kraig A.","Solid-state photodimerization reactions of racemic and homochiral phenylalanine sulfonamidecinnamic acids","CrystEngComm","2013","15","1","27","","10.1039/c2ce26307f","","","1.54178","CuKα","","0.0487","0.0435","","","0.1091","0.1129","","","","","","1.075","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208963","15.3346","0.0008","7.291","0.0004","16.1284","0.0009","90","","104.857","0.004","90","","1742.94","0.17","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 N O6 S -","- C18 H17 N O6 S -","- C72 H68 N4 O24 S4 -","4","1","","Yan, Zhiqing; Bolokowicz, Andrew J.; Collett, Teage K.; Reeb, Sarah A.; Wiseman, Joshua D.; Wheeler, Kraig A.","Solid-state photodimerization reactions of racemic and homochiral phenylalanine sulfonamidecinnamic acids","CrystEngComm","2013","15","1","27","","10.1039/c2ce26307f","","","1.54178","CuKα","","0.118","0.0664","","","0.165","0.2032","","","","","","1.024","","","","has coordinates,has disorder","180420","2020-10-21","18:00:00",""
"7208964","7.3283","0.0002","7.7161","0.0002","16.2329","0.0004","90.86","0.001","97.774","0.002","112.116","0.002","840.38","0.04","100","2","101","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H17 N O6 S -","- C18 H17 N O6 S -","- C36 H34 N2 O12 S2 -","2","1","","Yan, Zhiqing; Bolokowicz, Andrew J.; Collett, Teage K.; Reeb, Sarah A.; Wiseman, Joshua D.; Wheeler, Kraig A.","Solid-state photodimerization reactions of racemic and homochiral phenylalanine sulfonamidecinnamic acids","CrystEngComm","2013","15","1","27","","10.1039/c2ce26307f","","","1.54178","CuKα","","0.0405","0.0355","","","0.0943","0.1069","","","","","","1.099","","","","has coordinates,has disorder","180420","2020-10-21","18:00:00",""
"7208965","10.282","0.0005","14.1275","0.0006","11.8374","0.0005","90","","96.725","0.002","90","","1707.66","0.13","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H17 N O6 S -","- C18 H17 N O6 S -","- C72 H68 N4 O24 S4 -","4","2","","Yan, Zhiqing; Bolokowicz, Andrew J.; Collett, Teage K.; Reeb, Sarah A.; Wiseman, Joshua D.; Wheeler, Kraig A.","Solid-state photodimerization reactions of racemic and homochiral phenylalanine sulfonamidecinnamic acids","CrystEngComm","2013","15","1","27","","10.1039/c2ce26307f","","","1.54178","CuKα","","0.169","0.0681","","","0.0893","0.1143","","","","","","1.005","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208966","10.3597","0.0005","13.9938","0.0007","11.8314","0.0006","90","","97.721","0.003","90","","1699.67","0.15","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H34 N2 O12 S2 -","- C36 H34 N2 O12 S2 -","- C72 H68 N4 O24 S4 -","2","1","","Yan, Zhiqing; Bolokowicz, Andrew J.; Collett, Teage K.; Reeb, Sarah A.; Wiseman, Joshua D.; Wheeler, Kraig A.","Solid-state photodimerization reactions of racemic and homochiral phenylalanine sulfonamidecinnamic acids","CrystEngComm","2013","15","1","27","","10.1039/c2ce26307f","","","1.54178","CuKα","","0.0773","0.0542","","","0.1225","0.1364","","","","","","1.047","","","","has coordinates,has disorder","180420","2020-10-21","18:00:00",""
"7208967","9.6186","0.0003","11.3663","0.0004","11.7792","0.0006","61.273","0.002","76.368","0.003","67.977","0.002","1044.45","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H23 N O8 S -","- C21 H23 N O8 S -","- C42 H46 N2 O16 S2 -","2","1","","Yan, Zhiqing; Bolokowicz, Andrew J.; Collett, Teage K.; Reeb, Sarah A.; Wiseman, Joshua D.; Wheeler, Kraig A.","Solid-state photodimerization reactions of racemic and homochiral phenylalanine sulfonamidecinnamic acids","CrystEngComm","2013","15","1","27","","10.1039/c2ce26307f","","","1.54178","CuKα","","0.0925","0.0645","","","0.1488","0.1622","","","","","","1.155","","","","has coordinates,has disorder","180420","2020-10-21","18:00:00",""
"7208968","9.6628","0.0001","12.9705","0.0002","15.2675","0.0002","90","","108.034","0.001","90","","1819.49","0.04","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 N O6 S -","- C19 H19 N O6 S -","- C76 H76 N4 O24 S4 -","4","1","","Yan, Zhiqing; Bolokowicz, Andrew J.; Collett, Teage K.; Reeb, Sarah A.; Wiseman, Joshua D.; Wheeler, Kraig A.","Solid-state photodimerization reactions of racemic and homochiral phenylalanine sulfonamidecinnamic acids","CrystEngComm","2013","15","1","27","","10.1039/c2ce26307f","","","1.54178","CuKα","","0.0501","0.0374","","","0.0946","0.1019","","","","","","1.036","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208969","15.1007","0.001","17.2538","0.0011","31.509","0.002","90","","90","","90","","8209.5","0.9","296","2","296","2","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C20 H12 Cd N10 -","- C20 H12 Cd N10 -","- C320 H192 Cd16 N160 -","16","0.5","","Ma, Li; Yu, Naiqian; Chen, Susu; Deng, Hong","Construction of diverse CdII/ZnII coordination polymers based on 5-(quinolyl)tetrazolate generated via in situ hydrothermal synthesis","CrystEngComm","2013","15","7","1352","","10.1039/c2ce26323h","","","0.71073","MoKα","","0.0258","0.0217","","","0.0593","0.0613","","","","","","1.082","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208970","10.523","0.0013","16.51","0.002","7.4998","0.0009","90","","109.908","0.001","90","","1225.1","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Cd N8 O -","- C10 H8 Cd N8 O -","- C40 H32 Cd4 N32 O4 -","4","1","","Ma, Li; Yu, Naiqian; Chen, Susu; Deng, Hong","Construction of diverse CdII/ZnII coordination polymers based on 5-(quinolyl)tetrazolate generated via in situ hydrothermal synthesis","CrystEngComm","2013","15","7","1352","","10.1039/c2ce26323h","","","0.71073","MoKα","","0.0362","0.0348","","","0.0841","0.0849","","","","","","1.085","","","","has coordinates,has disorder","180420","2020-10-21","18:00:00",""
"7208971","8.0261","0.001","8.7696","0.0011","15.719","0.002","90","","99","0.002","90","","1092.8","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6 Cl N5 Zn -","- C10 H6 Cl N5 Zn -","- C40 H24 Cl4 N20 Zn4 -","4","1","","Ma, Li; Yu, Naiqian; Chen, Susu; Deng, Hong","Construction of diverse CdII/ZnII coordination polymers based on 5-(quinolyl)tetrazolate generated via in situ hydrothermal synthesis","CrystEngComm","2013","15","7","1352","","10.1039/c2ce26323h","","","0.71073","MoKα","","0.0562","0.0466","","","0.1323","0.1393","","","","","","1.083","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208972","9.3824","0.0013","13.4516","0.0019","14.717","0.002","112.547","0.002","96.925","0.002","101.903","0.002","1637.1","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H20.5 Cd2 N12 O4.25 -","- C32 H20.5 Cd2 N12 O4.25 -","- C64 H41 Cd4 N24 O8.5 -","2","1","","Ma, Li; Yu, Naiqian; Chen, Susu; Deng, Hong","Construction of diverse CdII/ZnII coordination polymers based on 5-(quinolyl)tetrazolate generated via in situ hydrothermal synthesis","CrystEngComm","2013","15","7","1352","","10.1039/c2ce26323h","","","0.71073","MoKα","","0.0362","0.0287","","","0.0706","0.0748","","","","","","1.028","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208973","10.0822","0.0011","10.291","0.0012","11.6096","0.0013","102.739","0.001","107.223","0.001","90.824","0.001","1118.1","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H7.34 Cd2 N5 O9.67 -","- C19 H7.34 Cd2 N5 O9.67 -","- C38 H14.68 Cd4 N10 O19.34 -","2","1","","Ma, Li; Yu, Naiqian; Chen, Susu; Deng, Hong","Construction of diverse CdII/ZnII coordination polymers based on 5-(quinolyl)tetrazolate generated via in situ hydrothermal synthesis","CrystEngComm","2013","15","7","1352","","10.1039/c2ce26323h","","","0.71073","MoKα","","0.034","0.0306","","","0.0871","0.0898","","","","","","1.081","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208974","8.759","0.0007","25.993","0.002","15.0096","0.0011","90","","103.528","0.001","90","","3322.5","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H42 Cd6 N20 O23 -","- C60 H42 Cd6 N20 O23 -","- C120 H84 Cd12 N40 O46 -","2","0.25","","Ma, Li; Yu, Naiqian; Chen, Susu; Deng, Hong","Construction of diverse CdII/ZnII coordination polymers based on 5-(quinolyl)tetrazolate generated via in situ hydrothermal synthesis","CrystEngComm","2013","15","7","1352","","10.1039/c2ce26323h","","","0.71073","MoKα","","0.0325","0.0285","","","0.0744","0.0776","","","","","","1.042","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7208975","7.0454","0.0004","12.1205","0.0007","13.2868","0.0008","70.681","0.001","86.723","0.001","80.613","0.001","1056.38","0.11","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H27 Co N3 O14 S -","- C11 H27 Co N3 O14 S -","- C22 H54 Co2 N6 O28 S2 -","2","1","","Lucas, Jacqueline S.; Uebler, Jacob W.; LaDuca, Robert L.","Metal dependent dimensionality in sulfate coordination polymers containing 3-pyridylisonicotinamide","CrystEngComm","2013","15","5","860","","10.1039/c2ce26333e","","","0.71073","MoKα","","0.0395","0.0365","","","0.0964","0.0981","","","","","","1.077","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208976","24.075","0.007","9.496","0.003","14.226","0.004","90","","122.425","0.004","90","","2745.2","1.4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C11 H13 Cu N3 O7 S -","- C11 H13 Cu N3 O7 S -","- C88 H104 Cu8 N24 O56 S8 -","8","1","","Lucas, Jacqueline S.; Uebler, Jacob W.; LaDuca, Robert L.","Metal dependent dimensionality in sulfate coordination polymers containing 3-pyridylisonicotinamide","CrystEngComm","2013","15","5","860","","10.1039/c2ce26333e","","","0.71073","MoKα","","0.0482","0.0412","","","0.1081","0.1152","","","","","","1.051","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208977","8.6706","0.0008","21.5919","0.0019","6.9169","0.0006","90","","90.171","0.001","90","","1294.9","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 Cd N3 O6 S -","- C11 H11 Cd N3 O6 S -","- C44 H44 Cd4 N12 O24 S4 -","4","1","","Lucas, Jacqueline S.; Uebler, Jacob W.; LaDuca, Robert L.","Metal dependent dimensionality in sulfate coordination polymers containing 3-pyridylisonicotinamide","CrystEngComm","2013","15","5","860","","10.1039/c2ce26333e","","","0.71073","MoKα","","0.0402","0.0302","","","0.0706","0.075","","","","","","1.079","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208978","13.2467","0.0003","28.8514","0.0008","32.3635","0.0008","90","","90","","90","","12368.9","0.5","133.1","","133.1","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C67 H87 N5 O5 -","- C67 H87 N5 O5 -","- C536 H696 N40 O40 -","8","1","","Tsue, Hirohito; Ono, Kohei; Tokita, Satoshi; Takahashi, Hiroki; Tamura, Rui","Solid‒gas sorption behavior of a new polymorph of azacalix[5]arene pentamethyl ether as controlled by crystal architecture","CrystEngComm","2013","15","8","1536","","10.1039/c2ce26339d","","","0.71075","MoKα","","","0.088","","","","0.2478","","","","","","1.038","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208979","5.9638","0.0015","12.926","0.003","9.457","0.002","90","","92.71","0.005","90","","728.2","0.3","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H6 Cu N3 -","- C8 H6 Cu N3 -","- C32 H24 Cu4 N12 -","4","1","","Liu, Bao-Yu; Liu, Feng; Lv, Li-Hong; Grajeda, Javier; Huang, Xiao-Chun","A new strategy for the construction of a single-walled metal‒organic nanotubular framework: utilizing “T”-shaped building unit with ligand modification","CrystEngComm","2013","15","3","447","","10.1039/c2ce26350e","","","0.71073","MoKα","","0.0829","0.0574","","","0.1556","0.2326","","","","","","1.002","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208980","12.3244","0.0002","12.3244","0.0002","5.9519","0.0002","90","","90","","90","","904.04","0.04","293","2","293","2","","","","","","","","5","P 42/m","-P 4c","84","","","","- C7 H4 Cu2 N4 S -","- C7 H4 Cu2 N4 S -","- C28 H16 Cu8 N16 S4 -","4","0.5","","Liu, Bao-Yu; Liu, Feng; Lv, Li-Hong; Grajeda, Javier; Huang, Xiao-Chun","A new strategy for the construction of a single-walled metal‒organic nanotubular framework: utilizing “T”-shaped building unit with ligand modification","CrystEngComm","2013","15","3","447","","10.1039/c2ce26350e","","","1.54178","CuKα","","0.0984","0.0905","","","0.2143","0.2168","","","","","","1.119","","","","has coordinates,has disorder","180420","2020-10-21","18:00:00",""
"7208981","22.891","0.002","22.891","0.002","13.1165","0.0011","90","","90","","120","","5952.2","0.9","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C54 H104 Cd7 N12 O50 P6 -","- C54 H60 Cd7 N12 O50 P6 -","- C162 H180 Cd21 N36 O150 P18 -","3","0.166667","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","Syntheses, crystal structures, thermal stability, magnetism and luminescence of four new metal phosphonates","CrystEngComm","2013","15","4","802","","10.1039/c2ce26368h","","","0.71073","MoKα","","0.0497","0.0443","","","0.1088","0.1123","","","","","","1.148","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208982","22.506","0.0013","22.506","0.0013","13.2344","0.0013","90","","90","","120","","5805.4","0.7","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C54 H106 Mn7 N12 O51 P6 -","- C54 H60 Mn7 N12 O51 P6 -","- C162 H180 Mn21 N36 O153 P18 -","3","0.166667","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","Syntheses, crystal structures, thermal stability, magnetism and luminescence of four new metal phosphonates","CrystEngComm","2013","15","4","802","","10.1039/c2ce26368h","","","0.71073","MoKα","","0.0929","0.0747","","","0.1814","0.1957","","","","","","1.076","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208983","9.484","0.006","8.377","0.005","18.414","0.012","90","","103.319","0.012","90","","1423.6","1.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H17 Co N2 O8 P -","- C9 H13 Co N2 O8 P -","- C36 H52 Co4 N8 O32 P4 -","4","1","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","Syntheses, crystal structures, thermal stability, magnetism and luminescence of four new metal phosphonates","CrystEngComm","2013","15","4","802","","10.1039/c2ce26368h","","","0.71073","MoKα","","0.0897","0.0682","","","0.1635","0.1786","","","","","","1.12","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208984","8.6361","0.0011","10.8402","0.0015","19.795","0.003","90","","95.624","0.003","90","","1844.2","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H13 Cd N5 O4 -","- C20 H13 Cd N5 O4 -","- C80 H52 Cd4 N20 O16 -","4","1","","Fan, Liming; Zhang, Xiutang; Li, Dacheng; Sun, Di; Zhang, Wei; Dou, Jianmin","Supramolecular isomeric flat and wavy honeycomb networks: additive agent effect on the ligand linkages","CrystEngComm","2013","15","2","349","","10.1039/c2ce26386f","","","0.71073","MoKα","","0.0309","0.0251","","","0.0549","0.056","","","","","","0.989","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208985","9.955","0.006","19.393","0.011","10.077","0.006","90","","108.59","0.011","90","","1843.9","1.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H13 Cd N5 O4 -","- C20 H13 Cd N5 O4 -","- C80 H52 Cd4 N20 O16 -","4","1","","Fan, Liming; Zhang, Xiutang; Li, Dacheng; Sun, Di; Zhang, Wei; Dou, Jianmin","Supramolecular isomeric flat and wavy honeycomb networks: additive agent effect on the ligand linkages","CrystEngComm","2013","15","2","349","","10.1039/c2ce26386f","","","0.71073","MoKα","","0.0464","0.0358","","","0.0704","0.074","","","","","","0.915","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208986","59.6523","0.0011","8.2064","0.0001","16.9558","0.0002","90","","95.447","0.001","90","","8262.9","0.2","293","2","293","2","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","","","- C84 H72 Gd4 O42 -","- C84 H48 Gd4 O42 -","- C336 H192 Gd16 O168 -","4","0.5","","Luo, Yun; Zheng, Yanjun; Calvez, Guillaume; Freslon, Stéphane; Bernot, Kevin; Daiguebonne, Carole; Roisnel, Thierry; Guillou, Olivier","Synthesis, crystal structure and luminescent properties of new lanthanide-containing coordination polymers involving 4,4′-oxy-bis-benzoate as ligand","CrystEngComm","2013","15","4","706","","10.1039/c2ce26390d","","x-ray","0.71073","MoKα","","0.0653","0.0355","","","0.0696","0.0792","","","","","","0.964","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208987","9.9474","0.0001","15.6416","0.0002","28.7511","0.0004","90","","95.117","0.001","90","","4455.65","0.1","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C42 H42 Gd2 O24 -","- C42 H24 Gd2 O24 -","- C168 H96 Gd8 O96 -","4","1","","Luo, Yun; Zheng, Yanjun; Calvez, Guillaume; Freslon, Stéphane; Bernot, Kevin; Daiguebonne, Carole; Roisnel, Thierry; Guillou, Olivier","Synthesis, crystal structure and luminescent properties of new lanthanide-containing coordination polymers involving 4,4′-oxy-bis-benzoate as ligand","CrystEngComm","2013","15","4","706","","10.1039/c2ce26390d","","x-ray","0.71073","MoKα","","0.0549","0.0404","","","0.0985","0.1057","","","","","","1.04","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208988","23.662","0.004","6.0657","0.001","29.414","0.006","90","","102.03","0.07","90","","4129","1.7","293","2","293","2","","","","","","","synthesis as described","4","P 1 2/n 1","-P 2yac","13","","","","- C42 H36 La2 O21 -","- C42 H24 La2 O21 -","- C168 H96 La8 O84 -","4","1","","Luo, Yun; Zheng, Yanjun; Calvez, Guillaume; Freslon, Stéphane; Bernot, Kevin; Daiguebonne, Carole; Roisnel, Thierry; Guillou, Olivier","Synthesis, crystal structure and luminescent properties of new lanthanide-containing coordination polymers involving 4,4′-oxy-bis-benzoate as ligand","CrystEngComm","2013","15","4","706","","10.1039/c2ce26390d","","x-ray","0.71069","MoKα","","0.0532","0.0353","","","0.0812","0.0886","","","","","","1.024","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208989","12.0511","0.0004","14.9625","0.0005","16.2348","0.0005","76.487","0.003","86.836","0.003","72.44","0.003","2713.33","0.16","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H46 N8 Ni O22.5 Ta -","- C56 H37 N8 Ni O22.511 Ta -","- C112 H74 N16 Ni2 O45.022 Ta2 -","2","1","","Androš, Lidija; Matković-Čalogović, Dubravka; Planinić, Pavica","A series of compounds containing various (oxalato)tantalate(v) complex anions ‒ synthesis, properties and the mixed-metal oxide formation via thermal decomposition","CrystEngComm","2013","15","3","533","","10.1039/c2ce26391b","","","0.71073","MoKα","","0.0752","0.0586","","","0.1315","0.1356","","","","","","1.143","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208990","11.6629","0.0003","13.5404","0.0004","16.0209","0.0004","65.972","0.003","80.64","0.002","76.627","0.002","2241.45","0.12","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H41 N6 Ni O21 Ta -","- C42 H39 N6 Ni O21 Ta -","- C84 H78 N12 Ni2 O42 Ta2 -","2","1","","Androš, Lidija; Matković-Čalogović, Dubravka; Planinić, Pavica","A series of compounds containing various (oxalato)tantalate(v) complex anions ‒ synthesis, properties and the mixed-metal oxide formation via thermal decomposition","CrystEngComm","2013","15","3","533","","10.1039/c2ce26391b","","","0.71073","MoKα","","0.0397","0.0321","","","0.0694","0.0731","","","","","","1.022","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208991","11.5314","0.0006","12.6938","0.0006","15.613","0.0008","108.324","0.004","92.332","0.004","109.013","0.004","2024.9","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H31 N6 Ni O14 Ta -","- C44 H31 N6 Ni O14 Ta -","- C88 H62 N12 Ni2 O28 Ta2 -","2","1","","Androš, Lidija; Matković-Čalogović, Dubravka; Planinić, Pavica","A series of compounds containing various (oxalato)tantalate(v) complex anions ‒ synthesis, properties and the mixed-metal oxide formation via thermal decomposition","CrystEngComm","2013","15","3","533","","10.1039/c2ce26391b","","","0.71073","MoKα","","0.0474","0.0277","","","0.0502","0.053","","","","","","0.876","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208992","11.4776","0.0002","12.6662","0.0002","15.53","0.0001","110.145","0.001","90.867","0.001","109.593","0.002","1974.97","0.06","160","2","160","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H29 N6 Ni O14 Ta -","- C43 H29 N6 Ni O14 Ta -","- C86 H58 N12 Ni2 O28 Ta2 -","2","1","","Androš, Lidija; Matković-Čalogović, Dubravka; Planinić, Pavica","A series of compounds containing various (oxalato)tantalate(v) complex anions ‒ synthesis, properties and the mixed-metal oxide formation via thermal decomposition","CrystEngComm","2013","15","3","533","","10.1039/c2ce26391b","","","0.71073","MoKα","","0.0212","0.0184","","","0.0433","0.0446","","","","","","1.048","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208993","33.748","0.013","34.172","0.014","3.7629","0.0015","90","","90","","90","","4340","3","150","2","150","2","","","","","","","","4","F d d 2","F 2 -2d","43","1,3-Bis(cyanoxime)benzene, monohydrate","1,3-Bis(cyanoxime)benzene, monohydrate","","- C10 H7 N4 O2.5 -","- C10 H7 N4 O2.5 -","- C160 H112 N64 O40 -","16","1","","Curtis, Scott; Ilkun, Olesya; Brown, Amy; Silchenko, Svitlana; Gerasimchuk, Nikolay","Synthesis, spectroscopic and structural characterization of the first phenyl bis-cyanoximes: non-chelating extended ionisable building block ligands for new MOFs","CrystEngComm","2013","15","1","152","","10.1039/c2ce26395e","","","0.71073","MoKα","","0.0872","0.06","","","0.1413","0.1582","","","","","","1.037","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7208994","7.9182","0.001","13.0263","0.0016","13.5001","0.0016","90","","90","","90","","1392.5","0.3","150","2","150","2","","","","","","","","4","P b c m","-P 2c 2b","57","1,3-bis-cyanoxime(benzene), DMF solvate","1,3-bis-cyanoxime(benzene), DMF solvate","","- C13 H13 N5 O3 -","- C13 H13 N5 O3 -","- C52 H52 N20 O12 -","4","0.5","","Curtis, Scott; Ilkun, Olesya; Brown, Amy; Silchenko, Svitlana; Gerasimchuk, Nikolay","Synthesis, spectroscopic and structural characterization of the first phenyl bis-cyanoximes: non-chelating extended ionisable building block ligands for new MOFs","CrystEngComm","2013","15","1","152","","10.1039/c2ce26395e","","","0.71073","MoKα","","0.0835","0.0665","","","0.1848","0.1991","","","","","","1.108","","","","has coordinates,has disorder","180420","2020-10-21","18:00:00",""
"7208995","5.1519","0.0009","11.244","0.002","16.37","0.003","90","","90","","90","","948.3","0.3","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","1,4-bis(cyanoxime)benzene","1,4-bis(cyanoxime)benzene","","- C10 H6 N4 O2 -","- C10 H6 N4 O2 -","- C40 H24 N16 O8 -","4","0.5","","Curtis, Scott; Ilkun, Olesya; Brown, Amy; Silchenko, Svitlana; Gerasimchuk, Nikolay","Synthesis, spectroscopic and structural characterization of the first phenyl bis-cyanoximes: non-chelating extended ionisable building block ligands for new MOFs","CrystEngComm","2013","15","1","152","","10.1039/c2ce26395e","","","0.71073","MoKα","","0.0934","0.0635","","","0.1809","0.2028","","","","","","1.081","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208996","6.2397","0.0004","7.8663","0.0005","9.624","0.0006","81.374","0.001","80.696","0.001","72.025","0.001","440.88","0.05","129","2","129","2","","","","","","","","5","P -1","-P 1","2","1,4-bis(cyanoxime)benzene, DMSO solvate","1,4-bis(cyanoxime)benzene, DMSO solvate","","- C14 H18 N4 O4 S2 -","- C14 H18 N4 O4 S2 -","- C14 H18 N4 O4 S2 -","1","0.5","","Curtis, Scott; Ilkun, Olesya; Brown, Amy; Silchenko, Svitlana; Gerasimchuk, Nikolay","Synthesis, spectroscopic and structural characterization of the first phenyl bis-cyanoximes: non-chelating extended ionisable building block ligands for new MOFs","CrystEngComm","2013","15","1","152","","10.1039/c2ce26395e","","","0.71073","MoKα","","0.0305","0.0269","","","0.0706","0.0738","","","","","","1.065","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208997","7.8908","0.0007","16.1902","0.0014","27.1562","0.0019","90","","102.083","0.002","90","","3392.4","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C80 H60 N12 O16 Pb2 -","- C80 H60 N12 O16 Pb2 -","- C160 H120 N24 O32 Pb4 -","2","0.5","","Wang, Xiu-Li; Guo, Zhi-Chao; Liu, Guo-Cheng; Qu, Yun; Yang, Song; Lin, Hong-Yan; Zhang, Ju-Wen","Tuning the lead complexes based on a double 1,10-phenanthroline derivative with versatile coordination behavior by dicarboxylates: from 0D nano-ring to an unprecedented 0D + 3D cocrystal","CrystEngComm","2013","15","3","551","","10.1039/c2ce26399h","","","0.71073","MoKα","","0.0622","0.0356","","","0.0643","0.0701","","","","","","0.949","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208998","10.589","0.005","22.803","0.005","14.703","0.005","90","","97.504","0.005","90","","3520","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H28 N10 O6 Pb -","- C41 H28 N10 O6 Pb -","- C164 H112 N40 O24 Pb4 -","4","1","","Wang, Xiu-Li; Guo, Zhi-Chao; Liu, Guo-Cheng; Qu, Yun; Yang, Song; Lin, Hong-Yan; Zhang, Ju-Wen","Tuning the lead complexes based on a double 1,10-phenanthroline derivative with versatile coordination behavior by dicarboxylates: from 0D nano-ring to an unprecedented 0D + 3D cocrystal","CrystEngComm","2013","15","3","551","","10.1039/c2ce26399h","","","0.71069","MoKα","","0.1255","0.0484","","","0.099","0.125","","","","","","0.975","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208999","14.32","0.005","14.58","0.005","16.195","0.005","86.729","0.005","84.156","0.005","79.526","0.005","3305.1","1.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H64 N12 O14 Pb3 -","- C72 H60 N12 O14 Pb3 -","- C144 H120 N24 O28 Pb6 -","2","1","","Wang, Xiu-Li; Guo, Zhi-Chao; Liu, Guo-Cheng; Qu, Yun; Yang, Song; Lin, Hong-Yan; Zhang, Ju-Wen","Tuning the lead complexes based on a double 1,10-phenanthroline derivative with versatile coordination behavior by dicarboxylates: from 0D nano-ring to an unprecedented 0D + 3D cocrystal","CrystEngComm","2013","15","3","551","","10.1039/c2ce26399h","","","0.71069","MoKα","","0.0646","0.0371","","","0.1027","0.1351","","","","","","1.029","","","","has coordinates,has disorder","180420","2020-10-21","18:00:00",""
"7209000","20.463","0.004","20.463","0.004","27.88","0.007","90","","90","","120","","10110","4","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C16.5 H17.5 N1.5 Na O9.5 V -","- C12 H4 Na O9 V -","- C216 H72 Na18 O162 V18 -","18","1","","Zhang, Tian-Zhan; Zhang, Zhi-Ming; Lu, Ying; Fu, Hai; Wang, En-Bo","Expansion of sodalite-type metal‒organic frameworks with heterometallic metal‒oxo cluster and its cation exchange property","CrystEngComm","2013","15","3","459","","10.1039/c2ce26400e","","","0.71073","MoKα","","0.061","0.0385","","","0.0904","0.0956","","","","","","0.903","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209001","18.079","0.004","16.435","0.003","11.603","0.002","90","","90","","90","","3447.6","1.2","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C30 H42 Li N3 O13 V -","- C30 H42 Li N3 O13 V -","- C120 H168 Li4 N12 O52 V4 -","4","1","","Zhang, Tian-Zhan; Zhang, Zhi-Ming; Lu, Ying; Fu, Hai; Wang, En-Bo","Expansion of sodalite-type metal‒organic frameworks with heterometallic metal‒oxo cluster and its cation exchange property","CrystEngComm","2013","15","3","459","","10.1039/c2ce26400e","","","0.71073","MoKα","","0.1045","0.0609","","","0.1293","0.148","","","","","","1.004","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209002","9.2812","0.0005","10.8141","0.0007","17.5421","0.0012","90.146","0.004","96.815","0.004","99.763","0.003","1722.44","0.19","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H45 N3 O11 -","- C35 H45 N3 O11 -","- C70 H90 N6 O22 -","2","1","","Liu, Lei; Wang, Xiaojun; Zhang, Quan; Li, Qiaowei; Zhao, Yanli","Distinct interpenetrated metal‒organic frameworks constructed from crown ether-based strut analogue","CrystEngComm","2013","15","5","841","","10.1039/c2ce26401c","","","0.71073","MoKα","","0.0999","0.0761","","","0.1692","0.1942","","","","","","1.13","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209003","9.5432","0.0016","10.525","0.0019","17.119","0.003","105.358","0.008","93.281","0.009","96.235","0.009","1641.6","0.5","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H40 O11 S2 -","- C32 H40 O11 S2 -","- C64 H80 O22 S4 -","2","1","","Liu, Lei; Wang, Xiaojun; Zhang, Quan; Li, Qiaowei; Zhao, Yanli","Distinct interpenetrated metal‒organic frameworks constructed from crown ether-based strut analogue","CrystEngComm","2013","15","5","841","","10.1039/c2ce26401c","","","0.71073","MoKα","","0.125","0.0587","","","0.1416","0.1827","","","","","","1.006","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209004","21.4901","0.0011","21.4901","0.0011","42.883","0.004","90","","90","","90","","19804","2","143","2","143","2","","","","","","","","4","P 42/n c m :2","-P 4ac 2ac","138","12C4","","","- C70 H48 O21 Zn4 -","- C70 H48 O21 Zn4 -","- C280 H192 O84 Zn16 -","4","0.25","","Liu, Lei; Wang, Xiaojun; Zhang, Quan; Li, Qiaowei; Zhao, Yanli","Distinct interpenetrated metal‒organic frameworks constructed from crown ether-based strut analogue","CrystEngComm","2013","15","5","841","","10.1039/c2ce26401c","","","0.71073","MoKα","","0.1245","0.0767","","","0.2138","0.2301","","","","","","0.945","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209005","21.4744","0.0013","21.4744","0.0013","21.4744","0.0013","90","","90","","90","","9902.9","1","153","2","153","2","","","","","","","","4","I m -3 m","-I 4 2 3","229","15C5","","","- C60 H24 O13 Zn4 -","- C60 H18 O13 Zn4 -","- C120 H36 O26 Zn8 -","2","0.0208333","","Liu, Lei; Wang, Xiaojun; Zhang, Quan; Li, Qiaowei; Zhao, Yanli","Distinct interpenetrated metal‒organic frameworks constructed from crown ether-based strut analogue","CrystEngComm","2013","15","5","841","","10.1039/c2ce26401c","","","0.71073","MoKα","","0.146","0.0921","","","0.2759","0.315","","","","","","1.105","","","","has coordinates,has disorder","180421","2020-10-21","18:00:00",""
"7209006","17.79","0.002","15.5454","0.0017","9.3054","0.001","90","","114.886","0.002","90","","2334.5","0.4","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","1_CS2","","","- C44.87 H44 Cd2 Cl4 N8 S1.74 -","- C44.87 H44 Cd2 Cl4 N8 S1.74 -","- C89.74 H88 Cd4 Cl8 N16 S3.48 -","2","0.25","","Jacobs, Tia; Barbour, Leonard J.","Solvent diffusion and binding in a ‘nonporous’ molecular crystal","CrystEngComm","2013","15","8","1512","","10.1039/c2ce26404h","","","0.71073","MoKα","","0.0449","0.0427","","","0.1063","0.1078","","","","","","1.105","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209007","17.179","0.002","15.8014","0.0019","9.6965","0.0011","90","","114.179","0.002","90","","2401.2","0.5","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","2_2MeOH","","","- C46 H52 Br4 Cd2 N8 O2 -","- C46 H52 Br4 Cd2 N8 O2 -","- C92 H104 Br8 Cd4 N16 O4 -","2","0.25","","Jacobs, Tia; Barbour, Leonard J.","Solvent diffusion and binding in a ‘nonporous’ molecular crystal","CrystEngComm","2013","15","8","1512","","10.1039/c2ce26404h","","","0.71073","MoKα","","0.0385","0.0331","","","0.0815","0.0848","","","","","","1.04","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209008","17.478","0.002","15.809","0.002","9.3913","0.0013","90","","114.457","0.002","90","","2362.1","0.5","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C44.87 H44 Br4 Cd2 N8 S1.74 -","- C44.87 H44 Br4 Cd2 N8 S1.74 -","- C89.74 H88 Br8 Cd4 N16 S3.48 -","2","0.25","","Jacobs, Tia; Barbour, Leonard J.","Solvent diffusion and binding in a ‘nonporous’ molecular crystal","CrystEngComm","2013","15","8","1512","","10.1039/c2ce26404h","","","0.71073","MoKα","","0.0624","0.0439","","","0.0929","0.0994","","","","","","1.046","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209009","18.001","0.003","15.844","0.003","9.353","0.0015","90","","114.239","0.003","90","","2432.4","0.7","295","2","295","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","2_vac","","","- C44 H44 Br4 Cd2 N8 -","- C44 H44 Br4 Cd2 N8 -","- C88 H88 Br8 Cd4 N16 -","2","0.25","","Jacobs, Tia; Barbour, Leonard J.","Solvent diffusion and binding in a ‘nonporous’ molecular crystal","CrystEngComm","2013","15","8","1512","","10.1039/c2ce26404h","","","0.71073","MoKα","","0.0928","0.0454","","","0.0937","0.1125","","","","","","0.97","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209010","17.799","0.002","16.188","0.002","9.4162","0.0012","90","","113.843","0.002","90","","2481.5","0.5","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","3_CH2Cl2","","","- C45 H46 Cd2 Cl2 I4 N8 -","- C45.04 H46.08 Cd2 Cl2.08 I4 N8 -","- C90.08 H92.16 Cd4 Cl4.16 I8 N16 -","2","0.25","","Jacobs, Tia; Barbour, Leonard J.","Solvent diffusion and binding in a ‘nonporous’ molecular crystal","CrystEngComm","2013","15","8","1512","","10.1039/c2ce26404h","","","0.71073","MoKα","","0.0407","0.0311","","","0.0674","0.09","","","","","","1.165","","","","has coordinates,has disorder","180421","2020-10-21","18:00:00",""
"7209011","18.281","0.003","16.193","0.003","9.2445","0.0017","90","","113.271","0.003","90","","2514","0.8","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","3_CHCl3","","","- C45 H45 Cd2 Cl3 I4 N8 -","- C45 H45 Cd2 Cl3 I4 N8 -","- C90 H90 Cd4 Cl6 I8 N16 -","2","0.25","","Jacobs, Tia; Barbour, Leonard J.","Solvent diffusion and binding in a ‘nonporous’ molecular crystal","CrystEngComm","2013","15","8","1512","","10.1039/c2ce26404h","","","0.71073","MoKα","","0.0585","0.0535","","","0.1419","0.1447","","","","","","1.109","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209012","17.584","0.003","16.19","0.003","9.4187","0.0015","90","","113.809","0.002","90","","2453.2","0.7","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","3_CS2","","","- C44.76 H44 Cd2 I4 N8 S1.52 -","- C44.76 H44 Cd2 I4 N8 S1.52 -","- C89.52 H88 Cd4 I8 N16 S3.04 -","2","0.25","","Jacobs, Tia; Barbour, Leonard J.","Solvent diffusion and binding in a ‘nonporous’ molecular crystal","CrystEngComm","2013","15","8","1512","","10.1039/c2ce26404h","","","0.71073","MoKα","","0.0869","0.0775","","","0.1562","0.1596","","","","","","1.347","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209013","18.081","0.002","16.3388","0.0018","9.322","0.001","90","","113.628","0.002","90","","2523.1","0.5","295","2","295","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","3_vac","","","- C44 H44 Cd2 I4 N8 -","- C44 H44 Cd2 I4 N8 -","- C88 H88 Cd4 I8 N16 -","2","0.25","","Jacobs, Tia; Barbour, Leonard J.","Solvent diffusion and binding in a ‘nonporous’ molecular crystal","CrystEngComm","2013","15","8","1512","","10.1039/c2ce26404h","","","0.71073","MoKα","","0.0577","0.052","","","0.143","0.148","","","","","","1.098","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209014","20.94","0.004","10.563","0.002","14.998","0.003","90","","91.14","0.03","90","","3316.7","1.1","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","4-p-tolyl-1,2,3,5-dithiadiazolyl","","","- C8 H7 N2 S2 -","- C8 H7 N2 S2 -","- C128 H112 N32 S32 -","16","2","","Beldjoudi, Yassine; Haynes, Delia A.; Hayward, John J.; Manning, Wallace J.; Pratt, Douglas R.; Rawson, Jeremy M.","Preparation and crystal structures of the isomeric series 4-tolyl-1,2,3,5-dithiadiazolyl, (o-MeC6H4CNSSN)2, (m-MeC6H4CNSSN)2 and (p-MeC6H4CNSSN)2","CrystEngComm","2013","15","6","1107","","10.1039/c2ce26431e","","","0.71073","MoKα","","0.0466","0.033","","","0.077","0.0844","","","","","","1.086","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209015","5.9118","0.0012","13.36","0.003","10.963","0.002","90","","105.11","0.03","90","","835.9","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","4-m-tolyl-1,2,3,5-dithiadiazolyl","","","- C8 H7 N2 S2 -","- C8 H7 N2 S2 -","- C32 H28 N8 S8 -","4","2","","Beldjoudi, Yassine; Haynes, Delia A.; Hayward, John J.; Manning, Wallace J.; Pratt, Douglas R.; Rawson, Jeremy M.","Preparation and crystal structures of the isomeric series 4-tolyl-1,2,3,5-dithiadiazolyl, (o-MeC6H4CNSSN)2, (m-MeC6H4CNSSN)2 and (p-MeC6H4CNSSN)2","CrystEngComm","2013","15","6","1107","","10.1039/c2ce26431e","","","0.71073","MoKα","","0.0371","0.0362","","","0.0935","0.0945","","","","","","1.048","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209016","7.8589","0.0016","14.917","0.003","55.362","0.011","90","","92.445","0.003","90","","6484","2","105","2","105","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-o-tolyl-1,2,3,5-dithiadiazolyl","","","- C8 H7 N2 S2 -","- C8 H7 N2 S2 -","- C256 H224 N64 S64 -","32","8","","Beldjoudi, Yassine; Haynes, Delia A.; Hayward, John J.; Manning, Wallace J.; Pratt, Douglas R.; Rawson, Jeremy M.","Preparation and crystal structures of the isomeric series 4-tolyl-1,2,3,5-dithiadiazolyl, (o-MeC6H4CNSSN)2, (m-MeC6H4CNSSN)2 and (p-MeC6H4CNSSN)2","CrystEngComm","2013","15","6","1107","","10.1039/c2ce26431e","","","0.71073","MoKα","","0.1679","0.0746","","","0.1366","0.1696","","","","","","0.983","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209017","7.7097","0.0011","19.332","0.002","9.3678","0.0012","90","","93.144","0.009","90","","1394.1","0.3","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H18 O2 -","- C16 H18 O2 -","- C64 H72 O8 -","4","2","","Yeung, Chi-Tung; Yeung, Ho-Lun; Chan, Wesley Ting Kwok; Yan, Siu-Cheong; Tam, Eric C. Y.; Wong, Ka-Leung; Lee, Chi-Sing; Wong, Wing-Tak","Stereolabile chiral biphenyl hybrids: crystallization-induced dynamic atropselective resolution involving supramolecular interactions","CrystEngComm","2013","15","5","836","","10.1039/c2ce26438b","","","0.71073","MoKα","","0.0582","0.0359","","","0.0767","0.0864","","","","","","1.022","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209018","9.893","0.0002","9.893","0.0002","40.122","0.0016","90","","90","","90","","3926.8","0.19","296","2","296","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","","","- C22 H30 O2 -","- C22 H30 O2 -","- C176 H240 O16 -","8","1","","Yeung, Chi-Tung; Yeung, Ho-Lun; Chan, Wesley Ting Kwok; Yan, Siu-Cheong; Tam, Eric C. Y.; Wong, Ka-Leung; Lee, Chi-Sing; Wong, Wing-Tak","Stereolabile chiral biphenyl hybrids: crystallization-induced dynamic atropselective resolution involving supramolecular interactions","CrystEngComm","2013","15","5","836","","10.1039/c2ce26438b","","","0.71073","MoKα","","0.0958","0.0531","","","0.0894","0.1012","","","","","","1.057","","","","has coordinates,has disorder","180421","2020-10-21","18:00:00",""
"7209019","9.4979","0.0004","16.7194","0.0006","5.6273","0.0002","90","","90","","90","","893.61","0.06","296","2","296","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C20 H22 O4 -","- C20 H22 O4 -","- C40 H44 O8 -","2","0.5","","Yeung, Chi-Tung; Yeung, Ho-Lun; Chan, Wesley Ting Kwok; Yan, Siu-Cheong; Tam, Eric C. Y.; Wong, Ka-Leung; Lee, Chi-Sing; Wong, Wing-Tak","Stereolabile chiral biphenyl hybrids: crystallization-induced dynamic atropselective resolution involving supramolecular interactions","CrystEngComm","2013","15","5","836","","10.1039/c2ce26438b","","","0.71073","MoKα","","0.0426","0.0336","","","0.0879","0.0941","","","","","","1.059","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209020","9.6636","0.0024","23.3522","0.0052","11.4105","0.0027","90","","114.896","0.0147","90","","2335.7","1","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H15 Br O -","- C11 H15 Br O -","- C88 H120 Br8 O8 -","8","4","","Yeung, Chi-Tung; Yeung, Ho-Lun; Chan, Wesley Ting Kwok; Yan, Siu-Cheong; Tam, Eric C. Y.; Wong, Ka-Leung; Lee, Chi-Sing; Wong, Wing-Tak","Stereolabile chiral biphenyl hybrids: crystallization-induced dynamic atropselective resolution involving supramolecular interactions","CrystEngComm","2013","15","5","836","","10.1039/c2ce26438b","","","0.71073","MoKα","","0.0931","0.0435","","","0.0813","0.0937","","","","","","0.936","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209021","19.2144","0.0006","13.7947","0.0004","23.5076","0.0007","90","","106.596","0.0016","90","","5971.3","0.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 O2 -","- C16 H18 O2 -","- C256 H288 O32 -","16","4","","Yeung, Chi-Tung; Yeung, Ho-Lun; Chan, Wesley Ting Kwok; Yan, Siu-Cheong; Tam, Eric C. Y.; Wong, Ka-Leung; Lee, Chi-Sing; Wong, Wing-Tak","Stereolabile chiral biphenyl hybrids: crystallization-induced dynamic atropselective resolution involving supramolecular interactions","CrystEngComm","2013","15","5","836","","10.1039/c2ce26438b","","","0.71073","MoKα","","0.1185","0.0861","","","0.2584","0.3044","","","","","","1.066","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209022","12.4527","0.0018","13.616","0.002","13.984","0.002","90","","90","","90","","2371.1","0.6","291","2","291","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C2 H6 Mn O6 S -","- C2 H6 Mn O6 S -","- C32 H96 Mn16 O96 S16 -","16","0.5","","Ge, Gen-Wu; Qi, Zhi-Yuan; Miao, Yu-Run; Du, Hong-Bin; You, Xiao-Zeng","The synthesis, structure and magnetism studies of two manganese sulfates with a 3D zeolite GIS framework and 1D chain structure","CrystEngComm","2013","15","3","435","","10.1039/c2ce26441b","","","0.71073","MoKα","","0.021","0.0202","","","0.0553","0.0558","","","","","","1.05","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209023","13.0864","0.001","11.9903","0.0009","14.3224","0.0011","90","","90.897","0.002","90","","2247.1","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H28 Mn2 N4 O18 S4 -","- C8 H28 Mn2 N4 O18 S4 -","- C32 H112 Mn8 N16 O72 S16 -","4","1","","Ge, Gen-Wu; Qi, Zhi-Yuan; Miao, Yu-Run; Du, Hong-Bin; You, Xiao-Zeng","The synthesis, structure and magnetism studies of two manganese sulfates with a 3D zeolite GIS framework and 1D chain structure","CrystEngComm","2013","15","3","435","","10.1039/c2ce26441b","","","0.71073","MoKα","","0.0568","0.0447","","","0.1167","0.1238","","","","","","1.046","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209024","4.0517","0.0004","13.9045","0.0014","10.2601","0.0011","90","","94.72","0.004","90","","576.06","0.1","90","2","90","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H13 N3 O3 -","- C11 H13 N3 O3 -","- C22 H26 N6 O6 -","2","1","","Argyle, Victoria J.; Woods, Laura M.; Roxburgh, Marina; Hanton, Lyall R.","Triflate anion and ligand influences in silver(i) coordination polymers of four isomeric dipyridyl ketone oximes","CrystEngComm","2013","15","1","120","","10.1039/c2ce26449h","","","0.71073","MoKα","","0.0396","0.0363","","","0.0957","0.0995","","","","","","1.072","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209025","21.0949","0.0017","10.5185","0.0008","3.8315","0.0004","90","","90","","90","","850.16","0.13","90","2","90","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C11 H8 N2 O -","- C11 H8 N2 O -","- C44 H32 N8 O4 -","4","1","","Argyle, Victoria J.; Woods, Laura M.; Roxburgh, Marina; Hanton, Lyall R.","Triflate anion and ligand influences in silver(i) coordination polymers of four isomeric dipyridyl ketone oximes","CrystEngComm","2013","15","1","120","","10.1039/c2ce26449h","","","0.71069","MoKα","","0.0316","0.0299","","","0.0747","0.0759","","","","","","1.125","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209026","11.4954","0.0017","10.6744","0.0017","15.506","0.003","90","","90","","90","","1902.7","0.6","90","2","90","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H9 N3 O -","- C11 H9 N3 O -","- C88 H72 N24 O8 -","8","1","","Argyle, Victoria J.; Woods, Laura M.; Roxburgh, Marina; Hanton, Lyall R.","Triflate anion and ligand influences in silver(i) coordination polymers of four isomeric dipyridyl ketone oximes","CrystEngComm","2013","15","1","120","","10.1039/c2ce26449h","","","0.71069","MoKα","","0.0495","0.0377","","","0.092","0.0987","","","","","","1.037","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209027","13.9556","0.0014","10.0763","0.0011","8.6383","0.0008","90","","101.106","0.003","90","","1192","0.2","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H13 N3 O3 -","- C11 H13 N3 O3 -","- C44 H52 N12 O12 -","4","1","","Argyle, Victoria J.; Woods, Laura M.; Roxburgh, Marina; Hanton, Lyall R.","Triflate anion and ligand influences in silver(i) coordination polymers of four isomeric dipyridyl ketone oximes","CrystEngComm","2013","15","1","120","","10.1039/c2ce26449h","","","0.71073","MoKα","","0.0384","0.0347","","","0.0912","0.0939","","","","","","1.043","","","","has coordinates,has disorder","180421","2020-10-21","18:00:00",""
"7209028","21.6741","0.0018","3.7762","0.0003","21.1734","0.0018","90","","102.254","0.005","90","","1693.5","0.2","90","2","90","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H8 N2 O -","- C11 H8 N2 O -","- C88 H64 N16 O8 -","8","1","","Argyle, Victoria J.; Woods, Laura M.; Roxburgh, Marina; Hanton, Lyall R.","Triflate anion and ligand influences in silver(i) coordination polymers of four isomeric dipyridyl ketone oximes","CrystEngComm","2013","15","1","120","","10.1039/c2ce26449h","","","0.71069","MoKα","","0.0377","0.0349","","","0.092","0.0951","","","","","","1.079","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209029","14.2517","0.0008","8.1077","0.0006","8.9124","0.0006","90","","90","","90","","1029.81","0.12","90","2","90","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C11 H9 N3 O -","- C11 H9 N3 O -","- C44 H36 N12 O4 -","4","0.5","","Argyle, Victoria J.; Woods, Laura M.; Roxburgh, Marina; Hanton, Lyall R.","Triflate anion and ligand influences in silver(i) coordination polymers of four isomeric dipyridyl ketone oximes","CrystEngComm","2013","15","1","120","","10.1039/c2ce26449h","","","0.71073","MoKα","","0.0397","0.0384","","","0.0942","0.0952","","","","","","1.07","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209030","9.1149","0.0002","10.1937","0.0002","10.128","0.0002","90","","91.9285","0.0012","90","","940.51","0.03","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 N3 O -","- C11 H9 N3 O -","- C44 H36 N12 O4 -","4","1","","Argyle, Victoria J.; Woods, Laura M.; Roxburgh, Marina; Hanton, Lyall R.","Triflate anion and ligand influences in silver(i) coordination polymers of four isomeric dipyridyl ketone oximes","CrystEngComm","2013","15","1","120","","10.1039/c2ce26449h","","","0.71073","MoKα","","0.0326","0.0307","","","0.0771","0.0789","","","","","","1.047","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209031","34.844","0.003","13.5225","0.0011","6.7362","0.0005","90","","91.412","0.003","90","","3173","0.4","90","2","90","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C44 H36 Ag2 F0 N12 O4 S0 -","- C44 H36 Ag2 N12 O4 -","- C88 H72 Ag4 N24 O8 -","2","0.25","","Argyle, Victoria J.; Woods, Laura M.; Roxburgh, Marina; Hanton, Lyall R.","Triflate anion and ligand influences in silver(i) coordination polymers of four isomeric dipyridyl ketone oximes","CrystEngComm","2013","15","1","120","","10.1039/c2ce26449h","","","0.71073","MoKα","","0.0654","0.0578","","","0.1581","0.1621","","","","","","1.189","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209032","11.3883","0.0012","9.4818","0.001","15.1208","0.0016","90","","110.395","0.004","90","","1530.4","0.3","90","2","90","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H9 Ag F3 N3 O4 S -","- C12 H9 Ag F3 N3 O4 S -","- C48 H36 Ag4 F12 N12 O16 S4 -","4","1","","Argyle, Victoria J.; Woods, Laura M.; Roxburgh, Marina; Hanton, Lyall R.","Triflate anion and ligand influences in silver(i) coordination polymers of four isomeric dipyridyl ketone oximes","CrystEngComm","2013","15","1","120","","10.1039/c2ce26449h","","","0.71069","MoKα","","0.0317","0.0292","","","0.071","0.0726","","","","","","1.122","","","","has coordinates,has disorder","180421","2020-10-21","18:00:00",""
"7209033","12.0134","0.0006","9.9549","0.0005","13.2918","0.0007","90","","90.9902","0.0014","90","","1589.36","0.14","90","2","90","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 Ag F3 N3 O5 S -","- C12 H11 Ag F3 N3 O5 S -","- C48 H44 Ag4 F12 N12 O20 S4 -","4","1","","Argyle, Victoria J.; Woods, Laura M.; Roxburgh, Marina; Hanton, Lyall R.","Triflate anion and ligand influences in silver(i) coordination polymers of four isomeric dipyridyl ketone oximes","CrystEngComm","2013","15","1","120","","10.1039/c2ce26449h","","","0.71069","MoKα","","0.0512","0.0485","","","0.0991","0.1009","","","","","","1.208","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209034","10.2591","0.0008","10.2823","0.0008","11.0872","0.0015","96.288","0.005","103.286","0.005","116.555","0.004","987.45","0.18","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C13 H9 Ag2 F6 N3 O7 S2 -","- C13 H9 Ag2 F6 N3 O7 S2 -","- C26 H18 Ag4 F12 N6 O14 S4 -","2","1","","Argyle, Victoria J.; Woods, Laura M.; Roxburgh, Marina; Hanton, Lyall R.","Triflate anion and ligand influences in silver(i) coordination polymers of four isomeric dipyridyl ketone oximes","CrystEngComm","2013","15","1","120","","10.1039/c2ce26449h","","","0.71073","MoKα","","0.0415","0.0373","","","0.1009","0.108","","","","","","1.066","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209035","13.64","0.002","10.7221","0.0019","18.581","0.003","90","","96.22","0.002","90","","2701.5","0.8","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H27 N4 O10 P3 -","- C24 H27 N4 O10 P3 -","- C96 H108 N16 O40 P12 -","4","1","","Chen, Shuo-ping; Deng, Pu; Yuan, Chu-feng; Yuan, Liang-jie","A novel organic salt with water/humidity-induced fluorescence switching and heat-induced coloration performance","CrystEngComm","2013","15","7","1414","","10.1039/c2ce26457a","","","0.71073","MoKα","","0.0743","0.0565","","","0.1562","0.1664","","","","","","1.1","","","","has coordinates,has disorder","180421","2020-10-21","18:00:00",""
"7209036","37.4921","0.0009","37.4921","0.0009","37.4921","0.0009","90","","90","","90","","52701","2","100","2","100","2","","","","","","","","6","P n -3 n :2","-P 4a 2bc 3","222","","","","- C141.17 H156.92 Cl7.75 Co N10 O8.58 -","- C140 H144 Cl6 Co N10 O8 -","- C1680 H1728 Cl72 Co12 N120 O96 -","12","0.25","","Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B.","In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals","CrystEngComm","2013","15","8","1545","","10.1039/c2ce26463c","","","0.6884","synchrotron","","0.1797","0.1455","","","0.4179","0.4358","","","","","","1.581","","","","has coordinates,has disorder","180421","2020-10-21","18:00:00",""
"7209037","37.5208","0.0002","37.5208","0.0002","37.5208","0.0002","90","","90","","90","","52822.2","0.5","150","2","150","2","","","","","","","","6","P n -3 n :2","-P 4a 2bc 3","222","","","","- C147.33 H174.33 Cl10.08 Co N9 O11.33 -","- C134 H144 Cl0.0833333 Co N9 O8 -","- C1608 H1728 Cl Co12 N108 O96 -","12","0.25","","Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B.","In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals","CrystEngComm","2013","15","8","1545","","10.1039/c2ce26463c","","","0.6905","synchrotron","","0.0676","0.0611","","","0.1842","0.1901","","","","","","1.085","","","","has coordinates,has disorder","180421","2020-10-21","18:00:00",""
"7209038","37.1172","0.0004","37.1172","0.0004","37.1172","0.0004","90","","90","","90","","51135.9","1","100","2","100","2","","","","","","","","6","P n -3 n :2","-P 4a 2bc 3","222","","","","- C136.33 H155.33 Cl0.17 Co N9 O13.33 -","- C133.6 H144 Cl0.166667 Co N9 O10.5 -","- C1603.2 H1728 Cl2 Co12 N108 O126 -","12","0.25","","Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B.","In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals","CrystEngComm","2013","15","8","1545","","10.1039/c2ce26463c","","","0.6709","synchrotron","","0.1838","0.1444","","","0.4132","0.4396","","","","","","1.651","","","","has coordinates,has disorder","180421","2020-10-21","18:00:00",""
"7209039","37.5512","0.0003","37.5512","0.0003","37.5512","0.0003","90","","90","","90","","52950.7","0.7","150","2","150","2","","","","","","","","5","P n -3 n :2","-P 4a 2bc 3","222","","","","- C169.08 H215.58 Co N9 O20.75 -","- C133.732 H144 Co N9 O9 -","- C1604.78 H1728 Co12 N108 O108 -","12","0.25","","Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B.","In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals","CrystEngComm","2013","15","8","1545","","10.1039/c2ce26463c","","","0.6905","synchrotron","","0.0944","0.0876","","","0.2881","0.3008","","","","","","1.338","","","","has coordinates,has disorder","180421","2020-10-21","18:00:00",""
"7209040","37.627","0.004","37.627","0.004","37.627","0.004","90","","90","","90","","53272","10","150","2","150","2","","","","","","","","7","P n -3 n :2","-P 4a 2bc 3","222","","","","- C130.83 H150.25 Br2 Cl4.25 Co N8 O9.42 -","- C128 H144 Br2 Co N8 O8 -","- C1536 H1728 Br24 Co12 N96 O96 -","12","0.25","","Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B.","In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals","CrystEngComm","2013","15","8","1545","","10.1039/c2ce26463c","","","0.6889","synchrotron","","0.1351","0.1172","","","0.3544","0.3724","","","","","","1.471","","","","has coordinates,has disorder","180421","2020-10-21","18:00:00",""
"7209041","37.2791","0.0003","37.2791","0.0003","37.2791","0.0003","90","","90","","90","","51807.9","0.7","100","2","100","2","","","","","","","","7","P n -3 n :2","-P 4a 2bc 3","222","","","","- C130.83 H155.08 Br0.88 Cl4.25 Co N8 O11.42 -","- C128 H144 Br0.87 Co N8 O10 -","- C1536 H1728 Br10.44 Co12 N96 O120 -","12","0.25","","Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B.","In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals","CrystEngComm","2013","15","8","1545","","10.1039/c2ce26463c","","","0.6889","synchrotron","","0.1228","0.1025","","","0.3268","0.3473","","","","","","1.375","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7209042","37.017","0.004","37.017","0.004","37.017","0.004","90","","90","","90","","50723","9","100","2","100","2","","","","","","","","7","P n -3 n :2","-P 4a 2bc 3","222","","","","- C130.17 H153.42 Br1.32 Cl3.25 Co N8 O11.08 -","- C128 H144 Br1.317 Co N8 O10 -","- C1536 H1728 Br15.804 Co12 N96 O120 -","12","0.25","","Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B.","In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals","CrystEngComm","2013","15","8","1545","","10.1039/c2ce26463c","","","0.6889","synchrotron","","0.158","0.1359","","","0.3776","0.4015","","","","","","1.535","","","","has coordinates,has disorder","180421","2020-10-21","18:00:00",""
"7209043","37.458","0.005","37.458","0.005","37.458","0.005","90","","90","","90","","52557","12","100","2","100","2","","","","","","","","5","P n -3 n :2","-P 4a 2bc 3","222","","","","- C132 H157 Co N9 O8 -","- C132 H155 Co N9 O10 -","- C1584 H1860 Co12 N108 O120 -","12","0.25","","Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B.","In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals","CrystEngComm","2013","15","8","1545","","10.1039/c2ce26463c","","","0.6889","Synchrotron","","0.1497","0.1354","","","0.389","0.3993","","","","","","1.6","","","","has coordinates,has disorder","180421","2020-10-21","18:00:00",""
"7209044","37.23","0.004","37.23","0.004","37.23","0.004","90","","90","","90","","51603","10","100","2","100","2","","","","","","","","6","P n -3 n :2","-P 4a 2bc 3","222","","","","- C128 H146 Cl2 Co N8 O10 -","- C128 H144 Cl2 Co N8 O10 -","- C1536 H1728 Cl24 Co12 N96 O120 -","12","0.25","","Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B.","In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals","CrystEngComm","2013","15","8","1545","","10.1039/c2ce26463c","","","0.6889","synchrotron","","0.1885","0.1749","","","0.465","0.4776","","","","","","2.003","","","","has coordinates,has disorder","180421","2020-10-21","18:00:00",""
"7209045","37.365","0.004","37.365","0.004","37.365","0.004","90","","90","","90","","52167","10","100","2","100","2","","","","","","","","6","P n -3 n :2","-P 4a 2bc 3","222","","","","- C130.5 H154.25 Cl5.02 Co N8 O11.25 -","- C128 H144 Cl1.35 Co N8 O10 -","- C1536 H1728 Cl16.2 Co12 N96 O120 -","12","0.25","","Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B.","In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals","CrystEngComm","2013","15","8","1545","","10.1039/c2ce26463c","","","0.6889","synchrotron","","0.1491","0.1318","","","0.3742","0.3949","","","","","","1.647","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7209046","37.6395","0.0003","37.6395","0.0003","37.6395","0.0003","90","","90","","90","","53325.1","0.7","100","2","100","2","","","","","","","","6","P n -3 n :2","-P 4a 2bc 3","222","","","","- C130 H157.17 Cl1.5 Co N8 O12.67 -","- C129 H144 Co N8 O12 -","- C1548 H1728 Co12 N96 O144 -","12","0.25","","Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B.","In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals","CrystEngComm","2013","15","8","1545","","10.1039/c2ce26463c","","","0.6889","synchrotron","","0.1101","0.1043","","","0.3445","0.3528","","","","","","1.603","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7209047","37.5719","0.0016","37.5719","0.0016","37.5719","0.0016","90","","90","","90","","53038","4","150","2","150","2","","","","","","","","5","P n -3 n :2","-P 4a 2bc 3","222","","","","- C135.5 H157.17 Co N12 O8.75 -","- C134 H144 Co N12 O10.0833 -","- C1608 H1728 Co12 N144 O121 -","12","0.25","","Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B.","In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals","CrystEngComm","2013","15","8","1545","","10.1039/c2ce26463c","","","0.6939","synchrotron","","0.1037","0.0835","","","0.2717","0.295","","","","","","1.184","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7209048","37.603","0.003","37.603","0.003","37.603","0.003","90","","90","","90","","53170","7","100","2","100","2","","","","","","","","6","P n -3 n :2","-P 4a 2bc 3","222","","","","- C144.5 H184.25 Cl9.75 Co N12 O15.25 -","- C138 H144 Co N12 O12 -","- C1656 H1728 Co12 N144 O144 -","12","0.25","","Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B.","In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals","CrystEngComm","2013","15","8","1545","","10.1039/c2ce26463c","","","0.6889","synchrotron","","0.1223","0.1171","","","0.3932","0.4004","","","","","","1.865","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7209049","37.3922","0.0002","37.3922","0.0002","37.3922","0.0002","90","","90","","90","","52280.9","0.5","100","2","100","2","","","","","","","","5","P n -3 n :2","-P 4a 2bc 3","222","","","","- C152.5 H176.5 Co N11.5 O8.5 -","- C152.5 H176 Co N11.5 O8.5 -","- C1830 H2112 Co12 N138 O102 -","12","0.25","","Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B.","In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals","CrystEngComm","2013","15","8","1545","","10.1039/c2ce26463c","","","0.6889","Synchrotron","","0.1611","0.1508","","","0.4504","0.4565","","","","","","2.143","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7209050","37.4908","0.0002","37.4908","0.0002","37.4908","0.0002","90","","90","","90","","52695.6","0.5","100","2","100","2","","","","","","","","6","P n -3 n :2","-P 4a 2bc 3","222","","","","- C132 H155 Cl3 Co N9 O9 -","- C132 H145 Cl3 Co N9 O9 -","- C1584 H1740 Cl36 Co12 N108 O108 -","12","0.25","","Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B.","In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals","CrystEngComm","2013","15","8","1545","","10.1039/c2ce26463c","","","0.671","synchrotron","","0.1843","0.1458","","","0.4153","0.459","","","","","","2.041","","","","has coordinates,has disorder","180421","2020-10-21","18:00:00",""
"7209051","21.336","0.008","16.819","0.006","18.474","0.007","90","","114.455","0.005","90","","6035","4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C130 H146 Cl6 Co N8 O8 -","- C130 H146 Cl6 Co N8 O8 -","- C260 H292 Cl12 Co2 N16 O16 -","2","0.5","","Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B.","In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals","CrystEngComm","2013","15","8","1545","","10.1039/c2ce26463c","","","0.6889","synchrotron","","0.0732","0.0684","","","0.1882","0.1949","","","","","","1.046","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209052","21.8547","0.0012","21.8547","0.0013","16.8466","0.0012","90","","90","","120","","6968.4","0.8","293","2","293","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C33 H54 Cu3 N12 O6 S3 -","- C33 H54 Cu3 N12 O6 S3 -","- C198 H324 Cu18 N72 O36 S18 -","6","0.333333","","Ion, Adrian E.; Nica, Simona; Madalan, Augustin M.; Lloret, Francesc; Julve, Miguel; Andruh, Marius","C3-symmetric trinuclear copper(ii) species as tectons in crystal engineering","CrystEngComm","2013","15","2","294","","10.1039/c2ce26469b","","","0.71073","MoKα","","0.0492","0.0299","","","0.0645","0.0712","","","","","","1.036","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209053","20.274","0.003","20.274","0.003","11.094","0.002","90","","90","","120","","3949.1","1.1","293","2","293","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C49 H64 Cu3 N6 O13 -","- C49.02 H60.03 Cu3 N6 O12.99 -","- C147.06 H180.09 Cu9 N18 O38.97 -","3","0.333333","","Ion, Adrian E.; Nica, Simona; Madalan, Augustin M.; Lloret, Francesc; Julve, Miguel; Andruh, Marius","C3-symmetric trinuclear copper(ii) species as tectons in crystal engineering","CrystEngComm","2013","15","2","294","","10.1039/c2ce26469b","","","0.71073","MoKα","","0.0492","0.0384","","","0.075","0.0783","","","","","","1.017","","","","has coordinates,has disorder","180421","2020-10-21","18:00:00",""
"7209054","16.5587","0.0011","12.7837","0.0011","19.7939","0.0012","90","","110.863","0.005","90","","3915.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H43 Cu3 N15 O6 -","- C29 H38 Cu3 N15 O6 -","- C116 H152 Cu12 N60 O24 -","4","1","","Ion, Adrian E.; Nica, Simona; Madalan, Augustin M.; Lloret, Francesc; Julve, Miguel; Andruh, Marius","C3-symmetric trinuclear copper(ii) species as tectons in crystal engineering","CrystEngComm","2013","15","2","294","","10.1039/c2ce26469b","","","0.71073","MoKα","","0.1293","0.0599","","","0.1025","0.1209","","","","","","0.966","","","","has coordinates,has disorder","180421","2020-10-21","18:00:00",""
"7209055","17.353","0.0008","17.7311","0.0008","7.5449","0.0003","90","","90.105","0.001","90","","2321.47","0.18","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C7 H12 Co0.5 N O7.5 P2 -","- C7 H12 Co0.5 N O7.5 P2 -","- C56 H96 Co4 N8 O60 P16 -","8","1","","Zheng, Ming-Jing; Zhu, Yan-Yu; Sun, Zhen-Gang; Zhu, Jiang; Jiao, Cheng-Qi; Chu, Wei; Sun, Shou-Hui; Tian, Hui","Synthesis, crystal structures, and surface photovoltage properties of four new metal diphosphonates based on the mixed ligands","CrystEngComm","2013","15","7","1445","","10.1039/c2ce26472b","","","0.71073","MoKα","","0.0427","0.0351","","","0.0955","0.0995","","","","","","1.081","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209056","17.3268","0.0006","17.6256","0.0006","7.5134","0.0003","90","","90.08","0.001","90","","2294.55","0.14","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C7 H12 N Ni0.5 O7.5 P2 -","- C7 H12 N Ni0.5 O7.5 P2 -","- C56 H96 N8 Ni4 O60 P16 -","8","1","","Zheng, Ming-Jing; Zhu, Yan-Yu; Sun, Zhen-Gang; Zhu, Jiang; Jiao, Cheng-Qi; Chu, Wei; Sun, Shou-Hui; Tian, Hui","Synthesis, crystal structures, and surface photovoltage properties of four new metal diphosphonates based on the mixed ligands","CrystEngComm","2013","15","7","1445","","10.1039/c2ce26472b","","","0.71073","MoKα","","0.0372","0.0348","","","0.0966","0.0983","","","","","","1.086","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209057","17.0884","0.0011","18.6492","0.0011","7.5691","0.0004","90","","90.174","0.001","90","","2412.1","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H12 Co0.5 N O7.5 P2 -","- C8 H12 Co0.5 N O7.5 P2 -","- C64 H96 Co4 N8 O60 P16 -","8","1","","Zheng, Ming-Jing; Zhu, Yan-Yu; Sun, Zhen-Gang; Zhu, Jiang; Jiao, Cheng-Qi; Chu, Wei; Sun, Shou-Hui; Tian, Hui","Synthesis, crystal structures, and surface photovoltage properties of four new metal diphosphonates based on the mixed ligands","CrystEngComm","2013","15","7","1445","","10.1039/c2ce26472b","","","0.71073","MoKα","","0.0496","0.0377","","","0.1011","0.1075","","","","","","1.006","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209058","17.096","0.0008","18.5599","0.0008","7.5289","0.0004","90","","90.223","0.001","90","","2388.9","0.2","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H12 N Ni0.5 O7.5 P2 -","- C8 H12 N Ni0.5 O7.5 P2 -","- C64 H96 N8 Ni4 O60 P16 -","8","1","","Zheng, Ming-Jing; Zhu, Yan-Yu; Sun, Zhen-Gang; Zhu, Jiang; Jiao, Cheng-Qi; Chu, Wei; Sun, Shou-Hui; Tian, Hui","Synthesis, crystal structures, and surface photovoltage properties of four new metal diphosphonates based on the mixed ligands","CrystEngComm","2013","15","7","1445","","10.1039/c2ce26472b","","","0.71073","MoKα","","0.0592","0.0482","","","0.1956","0.2264","","","","","","1.022","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209059","14.1357","0.0007","14.1357","0.0007","17.7983","0.0017","90","","90","","90","","3556.4","0.4","100","2","100","2","","","","","","","","8","I 4","I 4","79","","","","- C112 H132 Br4 Cu4 F12 N32 O26 Si2 -","- C112 H112 Br4 Cu4 F12 N32 O26 Si2 -","- C112 H112 Br4 Cu4 F12 N32 O26 Si2 -","1","0.125","","Banerjee, Subhabrata; Adrash, N. N.; Dastidar, Parthasarathi","Anions as additive and template in tuning metallasupramolecular architecture in CuII coordination compounds derived from l-amino acid based chiral ligands","CrystEngComm","2013","15","2","245","","10.1039/c2ce26475g","","","0.71073","MoKα","","0.078","0.0664","","","0.1935","0.2046","","","","","","0.97","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209060","13.5842","0.0004","13.5842","0.0004","14.8502","0.0009","90","","90","","120","","2373.18","0.17","100","2","100","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C28 H30 Cl2 Cu N8 O5 -","- C28 H30 Cl2 Cu N8 O5 -","- C84 H90 Cl6 Cu3 N24 O15 -","3","0.5","","Banerjee, Subhabrata; Adrash, N. N.; Dastidar, Parthasarathi","Anions as additive and template in tuning metallasupramolecular architecture in CuII coordination compounds derived from l-amino acid based chiral ligands","CrystEngComm","2013","15","2","245","","10.1039/c2ce26475g","","","0.71073","MoKα","","0.0245","0.0237","","","0.0785","0.0799","","","","","","0.685","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209061","13.292","0.003","15.146","0.003","19.946","0.004","90","","102.23","0.03","90","","3924.4","1.5","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C50 H55 B N10 Ni2 O47 W12 -","- C50 H40 B N10 Ni2 O47 W12 -","- C100 H80 B2 N20 Ni4 O94 W24 -","2","1","","Wang, Yan; Wang, La-Mei; Li, Zhi-Fang; Hu, Yang-Yang; Li, Guang-Hua; Xiao, Li-Na; Wang, Tie-gang; Zheng, Da-Fang; Cui, Xiao-Bing; Xu, Ji-Qing","The syntheses, structures and characterizations of a series of frameworks constructed from polyoxometalates, metals and organic units","CrystEngComm","2013","15","2","285","","10.1039/c2ce26477c","","","0.71073","MoKα","","0.0993","0.0646","","","0.127","0.1468","","","","","","1.067","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209062","13.2049","0.0009","14.9418","0.0007","20.5766","0.0012","90","","104.651","0.004","90","","3927.9","0.4","293","2","293","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C50 H48 Cl2 N10 Ni2 O43 Si W12 -","- C50 H40 Cl2 N10 Ni2 O43 Si W12 -","- C100 H80 Cl4 N20 Ni4 O86 Si2 W24 -","2","1","","Wang, Yan; Wang, La-Mei; Li, Zhi-Fang; Hu, Yang-Yang; Li, Guang-Hua; Xiao, Li-Na; Wang, Tie-gang; Zheng, Da-Fang; Cui, Xiao-Bing; Xu, Ji-Qing","The syntheses, structures and characterizations of a series of frameworks constructed from polyoxometalates, metals and organic units","CrystEngComm","2013","15","2","285","","10.1039/c2ce26477c","","","0.71073","MoKα","","0.119","0.0698","","","0.1645","0.2042","","","","","","1.034","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209063","13.2049","0.0009","14.9418","0.0007","20.5766","0.0012","90","","104.651","0.004","90","","3927.9","0.4","293","2","293","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C50 H48 Br2 N10 Ni2 O43 Si W12 -","- C50 H40 Br2 N10 Ni2 O43 Si W12 -","- C100 H80 Br4 N20 Ni4 O86 Si2 W24 -","2","1","","Wang, Yan; Wang, La-Mei; Li, Zhi-Fang; Hu, Yang-Yang; Li, Guang-Hua; Xiao, Li-Na; Wang, Tie-gang; Zheng, Da-Fang; Cui, Xiao-Bing; Xu, Ji-Qing","The syntheses, structures and characterizations of a series of frameworks constructed from polyoxometalates, metals and organic units","CrystEngComm","2013","15","2","285","","10.1039/c2ce26477c","","","0.71073","MoKα","","0.1266","0.0772","","","0.1844","0.2161","","","","","","1.049","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209064","12.216","0.002","17.998","0.003","21.073","0.004","68.599","0.002","86.811","0.002","83.191","0.002","4282.9","1.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C90 H92 Cd2 N18 O126 Si3 W36 -","- C90 H72 Cd2 N18 O126 Si3 W36 -","- C90 H72 Cd2 N18 O126 Si3 W36 -","1","0.5","","Wang, Yan; Wang, La-Mei; Li, Zhi-Fang; Hu, Yang-Yang; Li, Guang-Hua; Xiao, Li-Na; Wang, Tie-gang; Zheng, Da-Fang; Cui, Xiao-Bing; Xu, Ji-Qing","The syntheses, structures and characterizations of a series of frameworks constructed from polyoxometalates, metals and organic units","CrystEngComm","2013","15","2","285","","10.1039/c2ce26477c","","","0.71073","MoKα","","0.1218","0.0695","","","0.1633","0.1883","","","","","","1.047","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209065","12.2184","0.0012","17.9919","0.0018","21.077","0.002","68.66","0.002","86.836","0.002","83.211","0.002","4285.1","0.7","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C90 H92 Cu2 N18 O126 Si3 W36 -","- C90 H72 Cu2 N18 O126 Si3 W36 -","- C90 H72 Cu2 N18 O126 Si3 W36 -","1","0.5","","Wang, Yan; Wang, La-Mei; Li, Zhi-Fang; Hu, Yang-Yang; Li, Guang-Hua; Xiao, Li-Na; Wang, Tie-gang; Zheng, Da-Fang; Cui, Xiao-Bing; Xu, Ji-Qing","The syntheses, structures and characterizations of a series of frameworks constructed from polyoxometalates, metals and organic units","CrystEngComm","2013","15","2","285","","10.1039/c2ce26477c","","","0.71073","MoKα","","0.0879","0.0633","","","0.1302","0.1423","","","","","","1.097","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209066","16.523","0.0001","15.9952","0.0003","5.4792","0.0003","90","","90","","90","","1448.09","0.08","180","2","180","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H14 N2 O4 -","- C17 H14 N2 O4 -","- C68 H56 N8 O16 -","4","1","","Eddleston, Mark D.; Sivachelvam, Saranja; Jones, William","Screening for polymorphs of cocrystals: a case study","CrystEngComm","2013","15","1","175","","10.1039/c2ce26496j","","","0.71073","MoKα","","0.0425","0.0357","","","0.0911","0.096","","","","","","1.027","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209067","27.495","0.002","14.043","0.002","4.0898","0.0004","90","","90","","90","","1579.1","0.3","180","2","180","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H16 N2 O5 -","- C17 H16 N2 O5 -","- C68 H64 N8 O20 -","4","1","","Eddleston, Mark D.; Sivachelvam, Saranja; Jones, William","Screening for polymorphs of cocrystals: a case study","CrystEngComm","2013","15","1","175","","10.1039/c2ce26496j","","","0.71073","MoKα","","0.0697","0.0428","","","0.0932","0.1057","","","","","","1.061","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209068","9.3853","0.0014","9.5439","0.0019","10.2148","0.0016","79.25","0.013","66.306","0.01","80.437","0.013","818.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H13 N6 O4.5 Zn -","- C14 H12 N6 O4.5 Zn -","- C28 H24 N12 O9 Zn2 -","2","1","","Zhu, Xia; Chen, Qian; Yang, Zhi; Li, Bao-Long; Li, Hai-Yan","Tuning zinc(ii) coordination polymers based on bis(1,2,4-triazol-1-yl)ethane and 5-substituted 1,3-benzenedicarboxylates: syntheses, structures and properties","CrystEngComm","2013","15","3","471","","10.1039/c2ce26515j","","","0.7107","MoKα","","0.0747","0.0495","","","0.1342","0.2245","","","","","","1.011","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209069","9.478","0.002","9.956","0.003","11.461","0.004","85.54","0.02","82.98","0.02","63.499","0.016","960.3","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H17 N7 O9 Zn -","- C14 H11 N7 O9 Zn -","- C28 H22 N14 O18 Zn2 -","2","1","","Zhu, Xia; Chen, Qian; Yang, Zhi; Li, Bao-Long; Li, Hai-Yan","Tuning zinc(ii) coordination polymers based on bis(1,2,4-triazol-1-yl)ethane and 5-substituted 1,3-benzenedicarboxylates: syntheses, structures and properties","CrystEngComm","2013","15","3","471","","10.1039/c2ce26515j","","","0.7107","MoKα","","0.0639","0.0537","","","0.1381","0.1469","","","","","","1.091","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209070","20.91","0.004","10.2807","0.0013","20.029","0.003","90","","120.564","0.003","90","","3707.4","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H15 I N6 O6 Zn -","- C14 H15 I N6 O6 Zn -","- C112 H120 I8 N48 O48 Zn8 -","8","1","","Zhu, Xia; Chen, Qian; Yang, Zhi; Li, Bao-Long; Li, Hai-Yan","Tuning zinc(ii) coordination polymers based on bis(1,2,4-triazol-1-yl)ethane and 5-substituted 1,3-benzenedicarboxylates: syntheses, structures and properties","CrystEngComm","2013","15","3","471","","10.1039/c2ce26515j","","","0.7107","MoKα","","0.0524","0.0413","","","0.1233","0.1357","","","","","","1.028","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209071","13.178","0.004","14.361","0.004","16.553","0.004","90","","101.428","0.006","90","","3070.5","1.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H32 N12 O13 S Zn -","- C20 H32 N12 O13 S Zn -","- C80 H128 N48 O52 S4 Zn4 -","4","1","","Zhu, Xia; Chen, Qian; Yang, Zhi; Li, Bao-Long; Li, Hai-Yan","Tuning zinc(ii) coordination polymers based on bis(1,2,4-triazol-1-yl)ethane and 5-substituted 1,3-benzenedicarboxylates: syntheses, structures and properties","CrystEngComm","2013","15","3","471","","10.1039/c2ce26515j","","","0.7107","MoKα","","0.0952","0.0675","","","0.1498","0.1629","","","","","","1.098","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209072","7.0083","0.0016","16.147","0.003","17.274","0.004","90","","93.804","0.006","90","","1950.5","0.7","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 N6 O9 Zn -","- C15 H14 N6 O9 Zn -","- C60 H56 N24 O36 Zn4 -","4","1","","Zhu, Xia; Chen, Qian; Yang, Zhi; Li, Bao-Long; Li, Hai-Yan","Tuning zinc(ii) coordination polymers based on bis(1,2,4-triazol-1-yl)ethane and 5-substituted 1,3-benzenedicarboxylates: syntheses, structures and properties","CrystEngComm","2013","15","3","471","","10.1039/c2ce26515j","","","0.71075","MoKα","","0.0694","0.0557","","","0.1425","0.1515","","","","","","1.064","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209073","17.86","0.002","9.6438","0.001","23.297","0.003","90","","104.683","0.003","90","","3881.6","0.8","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H31 N12 O16.5 Zn3 -","- C30 H30 N12 O16.5 Zn3 -","- C120 H120 N48 O66 Zn12 -","4","0.5","","Zhu, Xia; Chen, Qian; Yang, Zhi; Li, Bao-Long; Li, Hai-Yan","Tuning zinc(ii) coordination polymers based on bis(1,2,4-triazol-1-yl)ethane and 5-substituted 1,3-benzenedicarboxylates: syntheses, structures and properties","CrystEngComm","2013","15","3","471","","10.1039/c2ce26515j","","","0.71075","MoKα","","0.1118","0.0688","","","0.1492","0.1694","","","","","","1.078","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209074","10.7197","0.0002","11.1072","0.0002","13.5033","0.0003","66.951","0.001","68.682","0.001","85.301","0.001","1374.78","0.05","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C66 H78 O4 -","- C66 H78 O4 -","- C66 H78 O4 -","1","0.5","","Klien, Henrik; Seichter, Wilhelm; Weber, Edwin","Crystalline inclusion compounds of new elongated bisfluorenol hosts with protic guest molecules","CrystEngComm","2013","15","3","586","","10.1039/c2ce26518d","","","0.71073","MoKα","","0.0654","0.0456","","","0.1096","0.1216","","","","","","1.006","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209075","14.2198","0.0006","16.0642","0.0008","9.3447","0.0004","90","","105.109","0.002","90","","2060.82","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C52 H52 N2 O2 -","- C52 H52 N2 O2 -","- C104 H104 N4 O4 -","2","0.5","","Klien, Henrik; Seichter, Wilhelm; Weber, Edwin","Crystalline inclusion compounds of new elongated bisfluorenol hosts with protic guest molecules","CrystEngComm","2013","15","3","586","","10.1039/c2ce26518d","","","0.71073","MoKα","","0.0643","0.0436","","","0.1059","0.1178","","","","","","1.015","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209076","27.8442","0.0011","9.5895","0.0003","14.243","0.0006","90","","90.527","0.002","90","","3802.9","0.2","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C50 H46 O4 -","- C50 H46 O4 -","- C200 H184 O16 -","4","1","","Klien, Henrik; Seichter, Wilhelm; Weber, Edwin","Crystalline inclusion compounds of new elongated bisfluorenol hosts with protic guest molecules","CrystEngComm","2013","15","3","586","","10.1039/c2ce26518d","","","0.71073","MoKα","","0.0712","0.0585","","","0.1545","0.1627","","","","","","1.077","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209077","10.6049","0.0002","11.0553","0.0003","13.1571","0.0003","106.016","0.001","95.625","0.001","93.744","0.001","1468.64","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C68 H84 N2 O2 -","- C68 H84 N2 O2 -","- C68 H84 N2 O2 -","1","0.5","","Klien, Henrik; Seichter, Wilhelm; Weber, Edwin","Crystalline inclusion compounds of new elongated bisfluorenol hosts with protic guest molecules","CrystEngComm","2013","15","3","586","","10.1039/c2ce26518d","","","0.71073","MoKα","","0.0602","0.044","","","0.1197","0.1359","","","","","","1.002","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209078","8.975","0.0002","10.0343","0.0002","12.5415","0.0003","93.415","0.001","100.351","0.001","110.989","0.001","1027.87","0.04","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C52 H50 O4 -","- C52 H50 O4 -","- C52 H50 O4 -","1","0.5","","Klien, Henrik; Seichter, Wilhelm; Weber, Edwin","Crystalline inclusion compounds of new elongated bisfluorenol hosts with protic guest molecules","CrystEngComm","2013","15","3","586","","10.1039/c2ce26518d","","","0.71073","MoKα","","0.0659","0.0557","","","0.1476","0.1575","","","","","","1.029","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209079","11.4578","0.0002","12.9959","0.0002","14.1065","0.0003","64.774","0.001","80.205","0.001","73.551","0.001","1819.47","0.06","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C48 H42 O4 -","- C48 H42 O4 -","- C96 H84 O8 -","2","1","","Klien, Henrik; Seichter, Wilhelm; Weber, Edwin","Crystalline inclusion compounds of new elongated bisfluorenol hosts with protic guest molecules","CrystEngComm","2013","15","3","586","","10.1039/c2ce26518d","","","0.71073","MoKα","","0.0487","0.0387","","","0.11","0.1192","","","","","","0.985","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209080","12.1123","0.0003","15.8485","0.0004","27.3301","0.0007","90","","99.504","0.001","90","","5174.3","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C64 H72 O3 -","- C64 H72 O3 -","- C256 H288 O12 -","4","1","","Klien, Henrik; Seichter, Wilhelm; Weber, Edwin","Crystalline inclusion compounds of new elongated bisfluorenol hosts with protic guest molecules","CrystEngComm","2013","15","3","586","","10.1039/c2ce26518d","","","0.71073","MoKα","","0.1105","0.0526","","","0.1143","0.1419","","","","","","1.005","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209081","15.4565","0.0002","28.6559","0.0003","16.8825","0.0002","90","","91.2664","0.0006","90","","7475.77","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42.5 H44 Cd7.5 N51 O6.5 -","- C42.5 H35 Cd7.5 N51 O6.5 -","- C170 H140 Cd30 N204 O26 -","4","1","","Bai, Shi-Qiang; Fang, Chen-Jie; He, Zheng; Gao, En-Qing; Yan, Chun-Hua; Hor, T. S. Andy","Azide-bridged Cd(ii) 1D coordination polymer with Cd13 nano-crown-like cluster","CrystEngComm","2013","15","4","650","","10.1039/c2ce26525g","","","0.71073","MoKα","","0.0994","0.037","","","0.0677","0.0773","","","","","","0.89","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209082","8.173","0.012","11.626","0.017","11.735","0.017","64.73","0.02","74.09","0.03","89.31","0.03","963","2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Hydrate of 1:1 cocrystal of Temozolomide and Formic acid","Hydrate of 1:1 cocrystal of Temozolomide and Formic acid","","- C13 H16 N12 O7 -","- C13 H16 N12 O7 -","- C26 H32 N24 O14 -","2","1","","Babu, N. Jagadeesh; Sanphui, Palash; Nath, Naba K.; Khandavilli, U. B. Rao; Nangia, Ashwini","Temozolomide hydrochloride dihydrate","CrystEngComm","2013","15","4","666","","10.1039/c2ce26528a","","","0.71073","MoKα","","0.118","0.0588","","","0.1247","0.1475","","","","","","0.949","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209083","6.453","0.015","10.37","0.02","17.84","0.04","97.8","0.04","90.44","0.04","98.27","0.04","1170","4","446","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H22 Cl2 N12 O8 -","- C12 H22 Cl2 N12 O8 -","- C24 H44 Cl4 N24 O16 -","2","1","","Babu, N. Jagadeesh; Sanphui, Palash; Nath, Naba K.; Khandavilli, U. B. Rao; Nangia, Ashwini","Temozolomide hydrochloride dihydrate","CrystEngComm","2013","15","4","666","","10.1039/c2ce26528a","","","0.71073","MoKα","","0.1885","0.1274","","","0.2859","0.3157","","","","","","1.183","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209084","7.1159","0.0014","17.478","0.003","15.208","0.003","90","","96.66","0.03","90","","1878.7","0.6","113","2","113.15","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C37 H34 Cd Cl2 N8 O10 -","- C37 H28 Cd Cl2 N8 O10 -","- C74 H56 Cd2 Cl4 N16 O20 -","2","0.25","","Liu, Chao; Cui, Guang-Hua; Zou, Kang-Yu; Zhao, Jun-Long; Gou, Xiao-Feng; Li, Zuo-Xi","Unusual six-connected self-catenated network with 5-fold interpenetrated CdSO4 subnets: stepwise synthesis, topology analysis and fluorescence properties","CrystEngComm","2013","15","2","324","","10.1039/c2ce26532j","","","0.71073","MoKα","","0.0551","0.0542","","","0.1452","0.1461","","","","","","1.068","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209085","10.558","0.002","25.831","0.005","16.593","0.003","90","","96.93","0.03","90","","4492.2","1.5","113","2","113.15","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C36 H28 Cd Cl2 N8 O4 -","- C36 H28 Cd Cl2 N8 O4 -","- C144 H112 Cd4 Cl8 N32 O16 -","4","1","","Liu, Chao; Cui, Guang-Hua; Zou, Kang-Yu; Zhao, Jun-Long; Gou, Xiao-Feng; Li, Zuo-Xi","Unusual six-connected self-catenated network with 5-fold interpenetrated CdSO4 subnets: stepwise synthesis, topology analysis and fluorescence properties","CrystEngComm","2013","15","2","324","","10.1039/c2ce26532j","","","0.71073","MoKα","","0.1078","0.0694","","","0.1566","0.1746","","","","","","1.051","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209086","22.5733","0.0013","4.89448","0.00021","18.3874","0.0009","90","","108.519","0.0027","90","","1926.33","0.17","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","from D:/data/P.Sapui/gsas_26052012/ps1.cif","","","- C21 H18 Cl N O6 -","- C21 H18 Cl N O6 -","- C84 H72 Cl4 N4 O24 -","4","1","","Sanphui, Palash; Bolla, Geetha; Das, Uday; Mukherjee, Alok K.; Nangia, Ashwini","Acemetacin polymorphs: a rare case of carboxylic acid catemer and dimer synthons","CrystEngComm","2013","15","1","34","","10.1039/c2ce26534f","powder diffraction","x-ray","1.5406","","","","","","","","","0.06165","","2.31","","","","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209087","11.858","0.003","4.8452","0.0009","16.785","0.003","90","","102.47","0.02","90","","941.6","0.3","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H18 Cl N O6 -","- C21 H18 Cl N O6 -","- C42 H36 Cl2 N2 O12 -","2","1","","Sanphui, Palash; Bolla, Geetha; Das, Uday; Mukherjee, Alok K.; Nangia, Ashwini","Acemetacin polymorphs: a rare case of carboxylic acid catemer and dimer synthons","CrystEngComm","2013","15","1","34","","10.1039/c2ce26534f","","","0.71073","MoKα","","0.1903","0.0882","","","0.1219","0.1598","","","","","","0.998","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209088","46.332","0.002","46.332","0.002","12.6066","0.0006","90","","90","","120","","23436.4","1.8","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","DiOPrTetraAcidPy","","","- C58 H58 N4 O13 -","- C58 H56 N4 O13 -","- C1044 H1008 N72 O234 -","18","1","","Kennedy, Stuart; Cholewa, Piotr; McIntosh, Ruaraidh D.; Dalgarno, Scott J.","Eliminating disorder in a self-assembled calixarene nanotube","CrystEngComm","2013","15","8","1520","","10.1039/c2ce26536b","","","0.71073","MoKα","","0.1418","0.0977","","","0.2749","0.2901","","","","","","1.739","","","","has coordinates,has disorder","180421","2020-10-21","18:00:00",""
"7209089","8.7709","0.0008","11.2786","0.0011","25.176","0.003","90","","90","","90","","2490.5","0.4","296","2","296","2","","","","","","","","6","I m m m","-I 2 2","71","","","","- C4 H18 In3 N3 O2 Te5 -","- C4 H13 In3 N3 O2 Te5 -","- C16 H52 In12 N12 O8 Te20 -","4","0.25","","Hu, Feilong; Zhou, Jian; Liu, Xing; Chen, Rong; Fu, Wensheng; Wei, Yuanchun","A novel 1-D telluridoindate based on rare tetramer [In4Te10]4− unit with photocatalytic properties","CrystEngComm","2013","15","6","1194","","10.1039/c2ce26537k","","","0.71073","MoKα","","0.0401","0.036","","","0.1109","0.1148","","","","","","1.031","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7209090","8.9884","0.0009","9.3145","0.0009","9.8343","0.0011","94.624","0.004","104.185","0.003","98.138","0.005","784.49","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H15 N O12 Zn2 -","- C12 H11 N O12 Zn2 -","- C24 H22 N2 O24 Zn4 -","2","1","","Ma, Jie; Chen, Lian; Wu, Ming-Yan; Zhang, Shu-Quan; Xiong, Ke-Cai; Han, Dong; Jiang, Fei-Long; Hong, Mao-Chun","Auxiliary ligand-directed and counter anion-templated effects on coordination networks based on semirigid 2-aminodiacetic terephthalic acid ligand","CrystEngComm","2013","15","5","911","","10.1039/c2ce26553b","","","0.71073","MoKα","","0.0548","0.0493","","","0.1351","0.1401","","","","","","1.055","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209091","15.7991","0.0012","11.4257","0.0006","18.7582","0.0012","90","","103.367","0.004","90","","3294.4","0.4","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C27 H19 N4 O10 Zn3 -","- C27 H19 N4 O10 Zn3 -","- C108 H76 N16 O40 Zn12 -","4","1","","Ma, Jie; Chen, Lian; Wu, Ming-Yan; Zhang, Shu-Quan; Xiong, Ke-Cai; Han, Dong; Jiang, Fei-Long; Hong, Mao-Chun","Auxiliary ligand-directed and counter anion-templated effects on coordination networks based on semirigid 2-aminodiacetic terephthalic acid ligand","CrystEngComm","2013","15","5","911","","10.1039/c2ce26553b","","","0.71073","MoKα","","0.0417","0.0369","","","0.1221","0.1287","","","","","","1.022","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209092","6.761","0.002","10.374","0.003","11.889","0.003","92.286","0.004","95.457","0.002","98.643","0.004","819.4","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H15 Cd2 N O12 -","- C12 H13 Cd2 N O12 -","- C24 H26 Cd4 N2 O24 -","2","1","","Ma, Jie; Chen, Lian; Wu, Ming-Yan; Zhang, Shu-Quan; Xiong, Ke-Cai; Han, Dong; Jiang, Fei-Long; Hong, Mao-Chun","Auxiliary ligand-directed and counter anion-templated effects on coordination networks based on semirigid 2-aminodiacetic terephthalic acid ligand","CrystEngComm","2013","15","5","911","","10.1039/c2ce26553b","","","0.71073","MoKα","","0.0319","0.0232","","","0.0636","0.0887","","","","","","1.088","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209093","18.0861","0.0006","14.2083","0.0003","19.298","0.0005","90","","97.836","0.002","90","","4912.8","0.2","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C34 H35 Cd4 N4 O22.5 -","- C34 H22 Cd4 N4 O22.5 -","- C136 H88 Cd16 N16 O90 -","4","1","","Ma, Jie; Chen, Lian; Wu, Ming-Yan; Zhang, Shu-Quan; Xiong, Ke-Cai; Han, Dong; Jiang, Fei-Long; Hong, Mao-Chun","Auxiliary ligand-directed and counter anion-templated effects on coordination networks based on semirigid 2-aminodiacetic terephthalic acid ligand","CrystEngComm","2013","15","5","911","","10.1039/c2ce26553b","","","0.71073","MoKα","","0.0455","0.0433","","","0.1184","0.1206","","","","","","1.081","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209094","8.4133","0.0017","9.7073","0.0019","11.035","0.002","81.28","0.03","87.91","0.03","75.48","0.03","862.4","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Bis(2-amino-1,3-benzothiazole-6-carboxylate)-cadmium(ii)","","","- C16 H10 Cd N4 O4 S2 -","- C16 H10 Cd N4 O4 S2 -","- C32 H20 Cd2 N8 O8 S4 -","2","1","","Yu, Hai-Yang; Fang, Xin; Zhang, Ke-Ke; Lin, Mei-Jin; Gao, Dan; Huang, Ming-Dong; Wang, Jun-Dong","Hydrothermal synthesis of benzothiazole‒carboxylic cadmium(ii) coordination networks: pH-controlled topologies and compositional distributions","CrystEngComm","2013","15","2","343","","10.1039/c2ce26559a","","","0.71073","MoKα","","0.0381","0.0359","","","0.1004","0.1033","","","","","","0.912","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209095","13.655","0.003","13.995","0.003","13.136","0.003","90","","94.14","0.03","90","","2503.8","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H10 Cd N4 O4 S2 -","- C30 H10 Cd N4 O4 S2 -","- C120 H40 Cd4 N16 O16 S8 -","4","0.5","","Yu, Hai-Yang; Fang, Xin; Zhang, Ke-Ke; Lin, Mei-Jin; Gao, Dan; Huang, Ming-Dong; Wang, Jun-Dong","Hydrothermal synthesis of benzothiazole‒carboxylic cadmium(ii) coordination networks: pH-controlled topologies and compositional distributions","CrystEngComm","2013","15","2","343","","10.1039/c2ce26559a","","","0.71073","MoKα","","0.0781","0.0723","","","0.1873","0.1914","","","","","","1.322","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209096","13.655","0.003","13.995","0.003","13.136","0.003","90","","94.14","0.03","90","","2503.8","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H10 Cd N4 O4 S2 -","- C16 H10 Cd N4 O4 S2 -","- C64 H40 Cd4 N16 O16 S8 -","4","0.5","","Yu, Hai-Yang; Fang, Xin; Zhang, Ke-Ke; Lin, Mei-Jin; Gao, Dan; Huang, Ming-Dong; Wang, Jun-Dong","Hydrothermal synthesis of benzothiazole‒carboxylic cadmium(ii) coordination networks: pH-controlled topologies and compositional distributions","CrystEngComm","2013","15","2","343","","10.1039/c2ce26559a","","","0.71073","MoKα","","0.0604","0.0528","","","0.1738","0.1793","","","","","","1.239","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209097","32.122","0.017","15.681","0.008","7.105","0.004","90","","90","","90","","3579","3","105","2","105","2","","","","","","","","4","P m n a","-P 2ac 2","53","","2,2'-Bipyridine-5,5'-dicarboxylate.Bis(1,3,4,6,7,8-Hexahydro-2H-pyrimido[1,2-a] pyrimidinium)","","- C13 H21 N4 O6.708 -","- C13 H21 N4 O6.71 -","- C104 H168 N32 O53.68 -","8","1","","Yadav, Vitthal N.; Görbitz, Carl Henrik","A supramolecular 2 : 1 guanidinium‒carboxylate based building block for generation of water channels and clusters in organic materials","CrystEngComm","2013","15","3","439","","10.1039/c2ce26572a","","","0.71073","MoKα","","0.1259","0.0632","","","0.1614","0.1995","","","","","","1.008","","","","has coordinates,has disorder","180421","2020-10-21","18:00:00",""
"7209098","8.5504","0.0012","9.4858","0.0013","10.3928","0.0014","66.749","0.001","69.257","0.001","89.901","0.002","714.86","0.17","105","2","105","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H42 N8 O8 -","- C26 H42 N8 O8 -","- C26 H42 N8 O8 -","1","0.5","","Yadav, Vitthal N.; Görbitz, Carl Henrik","A supramolecular 2 : 1 guanidinium‒carboxylate based building block for generation of water channels and clusters in organic materials","CrystEngComm","2013","15","3","439","","10.1039/c2ce26572a","","","0.71073","MoKα","","0.0426","0.0382","","","0.103","0.1076","","","","","","1.056","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209099","10.395","0.002","12.82","0.003","13.611","0.003","78.43","0.03","76.51","0.03","74","0.03","1677.4","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","carbonatobis(1,10-phenanthroline)cobalt(iii) 3-methyl-4- nitrobenzoate.pentahydrate","carbonatobis(1,10-phenanthroline)cobalt(III) 3-methyl-4-nitrobenzoate.pentahydrate","","- C33 H32 Co N5 O12 -","- C33 H28 Co N5 O12 -","- C66 H56 Co2 N10 O24 -","2","1","","Singh, Ajnesh; Sharma, Raj P.; Aree, Thammarat; Venugopalan, Paloth","Water-mediated supramolecular architecture of Co(iii)‒phenanthroline complexes: organizational control to 2D-layers and 3D-square cavities through substituted aryl carboxylate anions","CrystEngComm","2013","15","6","1153","","10.1039/c2ce26573g","","","0.71073","MoKα","","0.0363","0.0313","","","0.0869","0.0906","","","","","","1.031","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209100","10.317","0.002","12.688","0.003","13.277","0.003","76.71","0.03","79.98","0.03","88.97","0.03","1665.2","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","carbonatobis(1,10-phenanthroline)cobalt(iii) 2-chloro-4- nitrobenzoate.pentahydrate","carbonatobis(1,10-phenanthroline)cobalt(III) 2-chloro-4-nitrobenzoate.pentahydrate","","- C32 H29 Cl Co N5 O12 -","- C32 H25 Cl Co N5 O12 -","- C64 H50 Cl2 Co2 N10 O24 -","2","1","","Singh, Ajnesh; Sharma, Raj P.; Aree, Thammarat; Venugopalan, Paloth","Water-mediated supramolecular architecture of Co(iii)‒phenanthroline complexes: organizational control to 2D-layers and 3D-square cavities through substituted aryl carboxylate anions","CrystEngComm","2013","15","6","1153","","10.1039/c2ce26573g","","","0.71073","MoKα","","0.0496","0.0435","","","0.1298","0.1361","","","","","","1.044","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209101","11.227","0.002","12.46","0.003","15.064","0.003","105.26","0.03","102.43","0.03","100.5","0.03","1920.4","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","carbonatobis(1,10-phenanthroline)cobalt(iii) 2- methoxybenzoate.octahydrate","carbonatobis(1,10-phenanthroline)cobalt(III) 2-methoxybenzoate.octahydrate","","- C38 H41 Co N4 O14 -","- C38 H35 Co N4 O14 -","- C76 H70 Co2 N8 O28 -","2","1","","Singh, Ajnesh; Sharma, Raj P.; Aree, Thammarat; Venugopalan, Paloth","Water-mediated supramolecular architecture of Co(iii)‒phenanthroline complexes: organizational control to 2D-layers and 3D-square cavities through substituted aryl carboxylate anions","CrystEngComm","2013","15","6","1153","","10.1039/c2ce26573g","","","0.71073","MoKα","","0.0823","0.0586","","","0.1476","0.1597","","","","","","1.053","","","","has coordinates,has disorder","180422","2020-10-21","18:00:00",""
"7209102","10.287","0.002","13.078","0.003","13.134","0.003","70.22","0.03","83.92","0.03","72.95","0.03","1589.6","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","carbonatobis(1,10-phenanthroline)cobalt(iii) 4- nitrobenzoate.pentahydrate","carbonatobis(1,10-phenanthroline)cobalt(III) 4-nitrobenzoate.pentahydrate","","- C32 H30 Co N5 O12 -","- C32 H28 Co N5 O12 -","- C64 H56 Co2 N10 O24 -","2","1","","Singh, Ajnesh; Sharma, Raj P.; Aree, Thammarat; Venugopalan, Paloth","Water-mediated supramolecular architecture of Co(iii)‒phenanthroline complexes: organizational control to 2D-layers and 3D-square cavities through substituted aryl carboxylate anions","CrystEngComm","2013","15","6","1153","","10.1039/c2ce26573g","","","0.71073","MoKα","","0.0536","0.0389","","","0.1061","0.1126","","","","","","1.038","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209103","11.284","0.002","12.636","0.003","14.396","0.003","67.41","0.03","77.95","0.03","64.21","0.03","1704.3","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","carbonatobis(1,10-phenanthroline)cobalt(iii) 2- iodobenzoate.heptahydrate","carbonatobis(1,10-phenanthroline)cobalt(III) 2-iodobenzoate.heptahydrate","","- C32 H34 Co I N4 O12 -","- C32 H34 Co I N4 O12 -","- C64 H68 Co2 I2 N8 O24 -","2","1","","Singh, Ajnesh; Sharma, Raj P.; Aree, Thammarat; Venugopalan, Paloth","Water-mediated supramolecular architecture of Co(iii)‒phenanthroline complexes: organizational control to 2D-layers and 3D-square cavities through substituted aryl carboxylate anions","CrystEngComm","2013","15","6","1153","","10.1039/c2ce26573g","","","0.71073","MoKα","","0.051","0.0414","","","0.1164","0.122","","","","","","1.076","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209104","10.3056","0.0014","12.0933","0.0014","12.9967","0.0017","79.683","0.005","87.857","0.005","79.362","0.005","1566.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","carbonatobis(1,10-phenanthroline)cobalt(iii) 3- nitrobenzoate.tetrahydrate","carbonatobis(1,10-phenanthroline)cobalt(III) 3-nitrobenzoate.tetrahydrate","","- C32 H28 Co N5 O11 -","- C32 H24 Co N5 O11 -","- C64 H48 Co2 N10 O22 -","2","1","","Singh, Ajnesh; Sharma, Raj P.; Aree, Thammarat; Venugopalan, Paloth","Water-mediated supramolecular architecture of Co(iii)‒phenanthroline complexes: organizational control to 2D-layers and 3D-square cavities through substituted aryl carboxylate anions","CrystEngComm","2013","15","6","1153","","10.1039/c2ce26573g","","","0.71073","MoKα","","0.1112","0.0621","","","0.1291","0.1422","","","","","","1.036","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209105","16.3601","0.0003","16.1545","0.0003","14.0117","0.0003","90","","103.027","0.001","90","","3607.84","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","carbonatobis(1,10-phenanthroline)cobalt(iii) 2- napthaleneacetate.heptahydrate","carbonatobis(1,10-phenanthroline)cobalt(III) 2-napthaleneacetate.heptahydrate","","- C37 H39 Co N4 O12 -","- C37 H39 Co N4 O12 -","- C148 H156 Co4 N16 O48 -","4","1","","Singh, Ajnesh; Sharma, Raj P.; Aree, Thammarat; Venugopalan, Paloth","Water-mediated supramolecular architecture of Co(iii)‒phenanthroline complexes: organizational control to 2D-layers and 3D-square cavities through substituted aryl carboxylate anions","CrystEngComm","2013","15","6","1153","","10.1039/c2ce26573g","","","0.71073","MoKα","","0.0663","0.0376","","","0.086","0.0939","","","","","","1.037","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209106","13.2762","0.0003","19.9687","0.0005","14.0664","0.0003","90","","115.851","0.001","90","","3355.95","0.14","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","carbonatobis(1,10-phenanthroline)cobalt(iii) 2- chlorobenzoate.heptahydrate","carbonatobis(1,10-phenanthroline)cobalt(III) 2-chlorobenzoate.heptahydrate","","- C32 H34 Cl Co N4 O12 -","- C32 H30 Cl Co N4 O12 -","- C128 H120 Cl4 Co4 N16 O48 -","4","1","","Singh, Ajnesh; Sharma, Raj P.; Aree, Thammarat; Venugopalan, Paloth","Water-mediated supramolecular architecture of Co(iii)‒phenanthroline complexes: organizational control to 2D-layers and 3D-square cavities through substituted aryl carboxylate anions","CrystEngComm","2013","15","6","1153","","10.1039/c2ce26573g","","","0.71073","MoKα","","0.0846","0.0522","","","0.15","0.1681","","","","","","1.061","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209107","8.3012","0.0017","12.94","0.003","14.208","0.003","111.01","0.03","96.22","0.03","91.11","0.03","1413.5","0.6","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","Nitrofurantoin-pyridine(1:1)","","- C13 H11 N5 O5 -","- C13 H11 N5 O5 -","- C52 H44 N20 O20 -","4","2","","Vangala, Venu R.; Chow, Pui Shan; Tan, Reginald B. H.","The solvates and salt of antibiotic agent, nitrofurantoin: structural, thermochemical and desolvation studies","CrystEngComm","2013","15","5","878","","10.1039/c2ce26575c","","","0.71073","MoKα","","0.0792","0.0721","","","0.1772","0.1831","","","","","","1.209","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209108","7.0324","0.0014","22.647","0.004","10.031","0.004","90","","112.38","0.02","90","","1477.2","0.7","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Nitrofurantoin and 2-Picoline(1:1)","","- C14 H13 N5 O5 -","- C14 H13 N5 O5 -","- C56 H52 N20 O20 -","4","1","","Vangala, Venu R.; Chow, Pui Shan; Tan, Reginald B. H.","The solvates and salt of antibiotic agent, nitrofurantoin: structural, thermochemical and desolvation studies","CrystEngComm","2013","15","5","878","","10.1039/c2ce26575c","","","0.71073","MoKα","","0.0685","0.0603","","","0.1468","0.1595","","","","","","1.174","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209109","6.1489","0.0012","7.4328","0.0015","16.446","0.003","85.35","0.03","85.97","0.03","83.67","0.03","743.2","0.3","110","2","110","2","","","","","","","","4","P -1","-P 1","2","Nitrofurantoin-3-picoline(1:1)","Nitrofurantoin-3-picoline(1:1)","","- C14 H13 N5 O5 -","- C14 H13 N5 O5 -","- C28 H26 N10 O10 -","2","1","","Vangala, Venu R.; Chow, Pui Shan; Tan, Reginald B. H.","The solvates and salt of antibiotic agent, nitrofurantoin: structural, thermochemical and desolvation studies","CrystEngComm","2013","15","5","878","","10.1039/c2ce26575c","","","0.71073","MoKα","","0.0634","0.0607","","","0.1577","0.1606","","","","","","1.157","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209110","15.268","0.006","6.4161","0.0019","8.461","0.003","90","","105.286","0.005","90","","799.5","0.5","110","2","110","2","","","","","","","","4","P 1 c 1","P -2yc","7","1:1:1 solvate of nitrofurantoin, 3-picoline and water","1:1:1 solvate of nitrofurantoin, 3-picoline and water","","- C14 H15 N5 O6 -","- C14 H15 N5 O6 -","- C28 H30 N10 O12 -","2","1","","Vangala, Venu R.; Chow, Pui Shan; Tan, Reginald B. H.","The solvates and salt of antibiotic agent, nitrofurantoin: structural, thermochemical and desolvation studies","CrystEngComm","2013","15","5","878","","10.1039/c2ce26575c","","","0.71075","MoKα","","0.0345","0.0333","","","0.0823","0.0833","","","","","","1.075","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209111","14.84","0.003","8.0152","0.0016","12.951","0.003","90","","91.12","0.03","90","","1540.2","0.6","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1:1 nitrofurantoin and 4-picoline","1:1 nitrofurantoin and 4-picoline","","- C14 H13 N5 O5 -","- C14 H13 N5 O5 -","- C56 H52 N20 O20 -","4","1","","Vangala, Venu R.; Chow, Pui Shan; Tan, Reginald B. H.","The solvates and salt of antibiotic agent, nitrofurantoin: structural, thermochemical and desolvation studies","CrystEngComm","2013","15","5","878","","10.1039/c2ce26575c","","","0.71073","MoKα","","0.1049","0.0847","","","0.1879","0.2019","","","","","","1.183","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209112","8.1736","0.0016","9.3544","0.0019","11.894","0.002","103.46","0.03","109.31","0.03","90.14","0.03","831.5","0.3","110","2","110","2","","","","","","","","4","P -1","-P 1","2","1:1:1 cocrystal of nitrofurantoin, 2-pyridone and acetonitrile","1:1:1 nitrofurantoin, 2-pyridone and acetonitrile","","- C15 H14 N6 O6 -","- C15 H14 N6 O6 -","- C30 H28 N12 O12 -","2","1","","Vangala, Venu R.; Chow, Pui Shan; Tan, Reginald B. H.","The solvates and salt of antibiotic agent, nitrofurantoin: structural, thermochemical and desolvation studies","CrystEngComm","2013","15","5","878","","10.1039/c2ce26575c","","","0.71073","MoKα","","0.0642","0.0622","","","0.1714","0.1744","","","","","","1.147","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209113","8.616","0.004","26.655","0.011","7.029","0.003","90","","100.722","0.009","90","","1586.1","1.2","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1:1 salt of nitrofurantoin and 4-dimethylaminopyridine","","- C15 H16 N6 O5 -","- C15 H16 N6 O5 -","- C60 H64 N24 O20 -","4","1","","Vangala, Venu R.; Chow, Pui Shan; Tan, Reginald B. H.","The solvates and salt of antibiotic agent, nitrofurantoin: structural, thermochemical and desolvation studies","CrystEngComm","2013","15","5","878","","10.1039/c2ce26575c","","","0.71075","MoKα","","0.1133","0.0996","","","0.1785","0.1857","","","","","","1.247","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209114","7.2712","0.0015","18.918","0.004","15.451","0.004","90","","117.41","0.02","90","","1886.8","0.8","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1:1:1 cocrystal of nitrofurantoin, 2-pyridone and acetonitrile","1:1:1 cocrystal of nitrofurantoin, 2-pyridone and acetonitrile","","- C17 H17 N7 O6 -","- C17 H17 N7 O6 -","- C68 H68 N28 O24 -","4","1","","Vangala, Venu R.; Chow, Pui Shan; Tan, Reginald B. H.","The solvates and salt of antibiotic agent, nitrofurantoin: structural, thermochemical and desolvation studies","CrystEngComm","2013","15","5","878","","10.1039/c2ce26575c","","","0.71073","MoKα","","0.0402","0.0382","","","0.0965","0.098","","","","","","1.118","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209115","7.1843","0.0007","11.8503","0.0012","13.9092","0.0014","114.553","0.003","95.716","0.001","91.176","0.002","1069.23","0.19","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H19 N7 O10 -","- C20 H19 N7 O10 -","- C40 H38 N14 O20 -","2","1","","Seth, Saikat Kumar; Manna, Prankrishna; Singh, N. Jiten; Mitra, Monojit; Jana, Atish Dipankar; Das, Amrita; Choudhury, Somnath Ray; Kar, Tanusree; Mukhopadhyay, Subrata; Kim, Kwang S.","Molecular architecture using novel types of non-covalent π-interactions involving aromatic neutrals, aromatic cations and π-anions","CrystEngComm","2013","15","7","1285","","10.1039/c2ce26577j","","","0.71073","MoKα","","0.0354","0.033","","","0.0894","0.0917","","","","","","1.035","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209116","7.9465","0.0014","8.1567","0.0014","7.9743","0.0014","90","","116.379","0.011","90","","463.05","0.15","435","2","435","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C6 H16 Br N -","- C6 H16 Br N -","- C12 H32 Br2 N2 -","2","0.5","","Piecha, Anna; Gągor, Anna; Jakubas, Ryszard; Szklarz, Przemysław","Room-temperature ferroelectricity in diisopropylammonium bromide","CrystEngComm","2013","15","5","940","","10.1039/c2ce26580j","","","0.71073","MoKα","","0.0613","0.0444","","","0.1358","0.1459","","","","","","1.123","","","","has coordinates,has disorder","180422","2020-10-21","18:00:00",""
"7209117","8.0233","0.0001","8.308","0.0002","13.5868","0.0003","90","","90","","90","","905.66","0.03","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H16 Br N -","- C6 H16 Br N -","- C24 H64 Br4 N4 -","4","1","","Piecha, Anna; Gągor, Anna; Jakubas, Ryszard; Szklarz, Przemysław","Room-temperature ferroelectricity in diisopropylammonium bromide","CrystEngComm","2013","15","5","940","","10.1039/c2ce26580j","","","0.71073","MoKα","","0.0219","0.0187","","","0.0446","0.0463","","","","","","1.024","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209118","7.8586","0.0005","8.0818","0.0005","7.8918","0.0005","90","","116.29","0.004","90","","449.38","0.05","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C6 H16 Br N -","- C6 H16 Br N -","- C12 H32 Br2 N2 -","2","1","","Piecha, Anna; Gągor, Anna; Jakubas, Ryszard; Szklarz, Przemysław","Room-temperature ferroelectricity in diisopropylammonium bromide","CrystEngComm","2013","15","5","940","","10.1039/c2ce26580j","","","0.71073","MoKα","","0.0308","0.023","","","0.0453","0.0459","","","","","","0.864","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209119","22.707","0.003","10.2165","0.0011","15.1394","0.0016","90","","124.543","0.001","90","","2892.9","0.6","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C32 H22 Co N4 O6 S -","- C32 H22 Co N4 O6 S -","- C128 H88 Co4 N16 O24 S4 -","4","1","","Zhou, Hong; Liu, Guang-Xiang; Wang, Xiao-Feng; Wang, Yan","Three cobalt(ii) coordination polymers based on V-shaped aromatic polycarboxylates and rigid bis(imidazole) ligand: syntheses, crystal structures, physical properties and theoretical studies","CrystEngComm","2013","15","7","1377","","10.1039/c2ce26606g","","","0.71073","MoKα","","0.0299","0.0283","","","0.0723","0.0735","","","","","","1.035","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209120","49.698","0.004","7.2513","0.0006","21.8865","0.0019","90","","93.513","0.001","90","","7872.5","1.1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C43 H29 Co2 N6 O11 S -","- C43 H29 Co2 N6 O11 S -","- C344 H232 Co16 N48 O88 S8 -","8","1","","Zhou, Hong; Liu, Guang-Xiang; Wang, Xiao-Feng; Wang, Yan","Three cobalt(ii) coordination polymers based on V-shaped aromatic polycarboxylates and rigid bis(imidazole) ligand: syntheses, crystal structures, physical properties and theoretical studies","CrystEngComm","2013","15","7","1377","","10.1039/c2ce26606g","","","0.71073","MoKα","","0.0772","0.051","","","0.1237","0.139","","","","","","1.039","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209121","14.909","0.003","7.1963","0.0015","24.592","0.005","90","","104.312","0.002","90","","2556.6","0.9","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C26 H15 Co F6 N2 O4 -","- C26 H15 Co F6 N2 O4 -","- C104 H60 Co4 F24 N8 O16 -","4","1","","Zhou, Hong; Liu, Guang-Xiang; Wang, Xiao-Feng; Wang, Yan","Three cobalt(ii) coordination polymers based on V-shaped aromatic polycarboxylates and rigid bis(imidazole) ligand: syntheses, crystal structures, physical properties and theoretical studies","CrystEngComm","2013","15","7","1377","","10.1039/c2ce26606g","","","0.71073","MoKα","","0.1006","0.067","","","0.1487","0.1653","","","","","","1.015","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209122","39.7834","0.0004","39.7834","0.0004","39.7834","0.0004","90","","90","","90","","62965.9","1.1","293","2","293","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C166 H96 Cu24 N22 O78 -","- C166 H96 Cu24 N22 O78 -","- C1328 H768 Cu192 N176 O624 -","8","0.0416667","","Lian, Ting-Ting; Chen, Shu-Mei; Wang, Fei; Zhang, Jian","Metal‒organic framework architecture with polyhedron-in-polyhedron and further polyhedral assembly","CrystEngComm","2013","15","6","1036","","10.1039/c2ce26611c","","","0.71073","MoKα","","0.0589","0.0479","","","0.1447","0.1568","","","","","","1.117","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209123","18.2266","0.0006","10.3496","0.0004","9.1663","0.0003","90","","90","","90","","1729.11","0.1","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H16 N8 O3 Zn -","- C11 H9 N7 O2 Zn -","- C44 H36 N28 O8 Zn4 -","4","1","","Yang, E.; Li, Hong-Yan; Wang, Fei; Yang, Hui; Zhang, Jian","Enhancing CO2 adsorption enthalpy and selectivity via amino functionalization of a tetrahedral framework material","CrystEngComm","2013","15","4","658","","10.1039/c2ce26612a","","","0.71073","MoKα","","0.0509","0.0412","","","0.0951","0.1002","","","","","","1.008","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209124","9.4138","0.0006","12.1688","0.0008","13.0313","0.0009","88.29","0.008","88.203","0.008","71.209","0.008","1412.23","0.18","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H24 N10 Ni S2 -","- C22 H24 N10 Ni S2 -","- C44 H48 N20 Ni2 S4 -","2","1","","Wöhlert, Susanne; Fink, Lothar; Schmidt, Martin; Näther, Christian","Exploration and synthesis of condensed coordination networks with modified magnetic properties","CrystEngComm","2013","15","5","945","","10.1039/c2ce26617b","","","0.71073","MoKα","","0.056","0.0431","","","0.1153","0.1212","","","","","","1.032","","","","has coordinates,has disorder","180422","2020-10-21","18:00:00",""
"7209125","8.1708","0.0006","13.4538","0.0014","15.202","0.0013","101.707","0.011","99.997","0.01","96.51","0.011","1592.3","0.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H29 N12 Ni S2 -","- C27 H29 N12 Ni S2 -","- C54 H58 N24 Ni2 S4 -","2","1","","Wöhlert, Susanne; Fink, Lothar; Schmidt, Martin; Näther, Christian","Exploration and synthesis of condensed coordination networks with modified magnetic properties","CrystEngComm","2013","15","5","945","","10.1039/c2ce26617b","","","0.71073","MoKα","","0.0809","0.0633","","","0.167","0.1796","","","","","","0.985","","","","has coordinates,has disorder","180422","2020-10-21","18:00:00",""
"7209126","8.3977","0.0007","11.9808","0.0012","15.0476","0.0012","98.015","0.011","100.532","0.009","94.328","0.011","1466","0.2","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H30 N10 Ni O S2 -","- C24 H30 N10 Ni O S2 -","- C48 H60 N20 Ni2 O2 S4 -","2","1","","Wöhlert, Susanne; Fink, Lothar; Schmidt, Martin; Näther, Christian","Exploration and synthesis of condensed coordination networks with modified magnetic properties","CrystEngComm","2013","15","5","945","","10.1039/c2ce26617b","","","0.71073","MoKα","","0.0652","0.0559","","","0.1812","0.1877","","","","","","1.063","","","","has coordinates,has disorder","180422","2020-10-21","18:00:00",""
"7209127","6.9271","0.0007","8.0392","0.001","9.2125","0.001","107.194","0.013","112.256","0.012","99.445","0.013","430.91","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H16 N6 Ni O2 S2 -","- C12 H16 N6 Ni O2 S2 -","- C12 H16 N6 Ni O2 S2 -","1","0.5","","Wöhlert, Susanne; Fink, Lothar; Schmidt, Martin; Näther, Christian","Exploration and synthesis of condensed coordination networks with modified magnetic properties","CrystEngComm","2013","15","5","945","","10.1039/c2ce26617b","","","0.71073","MoKα","","0.0604","0.0439","","","0.1085","0.1165","","","","","","0.996","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209128","7.3832","0.0004","10.0762","0.0004","13.9767","0.0007","90","","104.536","0.004","90","","1006.51","0.09","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 N6 Ni O2 S2 -","- C14 H20 N6 Ni O2 S2 -","- C28 H40 N12 Ni2 O4 S4 -","2","0.5","","Wöhlert, Susanne; Fink, Lothar; Schmidt, Martin; Näther, Christian","Exploration and synthesis of condensed coordination networks with modified magnetic properties","CrystEngComm","2013","15","5","945","","10.1039/c2ce26617b","","","0.71073","MoKα","","0.0339","0.0276","","","0.0695","0.0723","","","","","","1.06","","","","has coordinates,has disorder","180422","2020-10-21","18:00:00",""
"7209129","9.05","0.0007","11.3575","0.0008","24.0133","0.0016","84.29","0.006","85.96","0.006","79.693","0.006","2412.8","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H44 N18 Ni2 O S4 -","- C39 H44 N18 Ni2 O S4 -","- C78 H88 N36 Ni4 O2 S8 -","2","1","","Wöhlert, Susanne; Fink, Lothar; Schmidt, Martin; Näther, Christian","Exploration and synthesis of condensed coordination networks with modified magnetic properties","CrystEngComm","2013","15","5","945","","10.1039/c2ce26617b","","","0.71073","MoKα","","0.1479","0.1077","","","0.2853","0.3258","","","","","","1.067","","","","has coordinates,has disorder","180422","2020-10-21","18:00:00",""
"7209130","18.33206","0.00042","9.39332","0.00022","11.2837","0.00027","90","","124.643","0.0019","90","","1598.56","0.07","300","","300","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 N6 Ni S2 -","- C12 H12 N6 Ni S2 -","- C48 H48 N24 Ni4 S8 -","4","1","","Wöhlert, Susanne; Fink, Lothar; Schmidt, Martin; Näther, Christian","Exploration and synthesis of condensed coordination networks with modified magnetic properties","CrystEngComm","2013","15","5","945","","10.1039/c2ce26617b","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","1.512","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"7209131","14.2691","0.0011","5.6188","0.0004","13.7419","0.001","90","","101.886","0.009","90","","1078.14","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 N4 Ni S2 -","- C7 H6 N4 Ni S2 -","- C28 H24 N16 Ni4 S8 -","4","1","","Wöhlert, Susanne; Fink, Lothar; Schmidt, Martin; Näther, Christian","Exploration and synthesis of condensed coordination networks with modified magnetic properties","CrystEngComm","2013","15","5","945","","10.1039/c2ce26617b","","","0.71073","MoKα","","0.0707","0.0572","","","0.1506","0.1588","","","","","","1.093","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209132","13.8838","0.0008","10.1039","0.0006","18.7348","0.0011","90","","107.125","0.001","90","","2511.6","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H46 Cl4 F8 N4 O4 -","- C58 H46 Cl4 F8 N4 O4 -","- C116 H92 Cl8 F16 N8 O8 -","2","0.5","","Akpinar, Handan; Mague, Joel T.; Lahti, Paul M.","A co-crystal of 2-(1′-pyrenyl)-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazole-3-oxide-1-oxyl with octafluoronaphthalene","CrystEngComm","2013","15","5","831","","10.1039/c2ce26621k","","","0.71073","MoKα","","0.0618","0.0442","","","0.1029","0.1161","","","","","","1.048","","","","has coordinates,has disorder","180422","2020-10-21","18:00:00",""
"7209133","18.407","0.004","15.378","0.003","13.471","0.003","90","","128.44","0.03","90","","2986.7","1.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 Ag5 I7 N2 -","- C14 H18 Ag5 I7 N2 -","- C56 H72 Ag20 I28 N8 -","4","0.5","","Li, Hao-Hong; Xing, Yuan-Yuan; Lian, Zhao-Xun; Gong, An-Wen; Wu, Hong-Yan; Li, Yi; Chen, Zhi-Rong","Rigidity/flexibility competition in organic/iodoargentate hybrids: a combined experimental and theoretical study","CrystEngComm","2013","15","9","1721","","10.1039/c2ce26640g","","","0.71069","MoKα","","0.054","0.039","","","0.1196","0.1295","","","","","","1.059","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209134","12.073","0.0017","12.073","0.0017","20.906","0.004","90","","90","","120","","2639","0.7","293","2","293","2","","","","","","","","5","P 32","P 32","145","","","","- C18 H26 Ag5 I7 N2 -","- C18 H26 Ag5 I7 N2 -","- C54 H78 Ag15 I21 N6 -","3","1","","Li, Hao-Hong; Xing, Yuan-Yuan; Lian, Zhao-Xun; Gong, An-Wen; Wu, Hong-Yan; Li, Yi; Chen, Zhi-Rong","Rigidity/flexibility competition in organic/iodoargentate hybrids: a combined experimental and theoretical study","CrystEngComm","2013","15","9","1721","","10.1039/c2ce26640g","","","0.71069","MoKα","","0.1064","0.0688","","","0.1801","0.2029","","","","","","1.029","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209135","25.54","0.005","5.14","0.001","22.306","0.005","90","","117.73","0.03","90","","2591.9","1.2","173","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H20 Cu N2 O12 S2 -","- C29 H20 Cu N2 O12 S2 -","- C116 H80 Cu4 N8 O48 S8 -","4","0.5","","Lago, Ana Belén; Carballo, Rosa; Rodríguez-Hermida, Sabina; Vázquez-López, Ezequiel M.","Control over the preparation of two pH-dependent Cu(ii) supramolecular isomers based on 1,3,5-benzenetricarboxylic acid and the bis(4-pyridylthio)methane ligand","CrystEngComm","2013","15","8","1563","","10.1039/c2ce26652k","","","0.789","synchrotron","","0.0462","0.0454","","","0.125","0.1281","","","","","","1.088","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209136","27.191","0.002","18.5355","0.0014","16.3259","0.0012","90","","126.031","0.001","90","","6654.2","0.9","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H26 Cu N4 O7 S4 -","- C31 H26 Cu N4 O7 S4 -","- C248 H208 Cu8 N32 O56 S32 -","8","1","","Lago, Ana Belén; Carballo, Rosa; Rodríguez-Hermida, Sabina; Vázquez-López, Ezequiel M.","Control over the preparation of two pH-dependent Cu(ii) supramolecular isomers based on 1,3,5-benzenetricarboxylic acid and the bis(4-pyridylthio)methane ligand","CrystEngComm","2013","15","8","1563","","10.1039/c2ce26652k","","","0.71073","MoKα","","0.0517","0.0324","","","0.0747","0.087","","","","","","1.071","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209137","7.6554","0.0004","8.3794","0.0004","9.4395","0.0004","78.649","0.001","69.631","0.001","73.884","0.001","541.97","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H8 Br2 Hg N2 -","- C9 H8 Br2 Hg N2 -","- C18 H16 Br4 Hg2 N4 -","2","1","","Mirzaei, M.; Eshtiagh-Hosseini, H.; Mohammadi Abadeh, M.; Chahkandi, M.; Frontera, A.; Hassanpoor, A.","Influence of accompanying anions on supramolecular assembly and coordination geometry in HgII complexes with 8-aminoquinoline: experimental and theoretical studies","CrystEngComm","2013","15","7","1404","","10.1039/c2ce26658j","","","0.71073","MoKα","","0.0258","0.0238","","","0.0586","0.0596","","","","","","1.033","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209138","7.6657","0.0006","14.5794","0.0012","17.376","0.0014","90","","95.315","0.001","90","","1933.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H8 Hg2.5 I5 N2 -","- C9 H8 Hg2.5 I5 N2 -","- C36 H32 Hg10 I20 N8 -","4","1","","Mirzaei, M.; Eshtiagh-Hosseini, H.; Mohammadi Abadeh, M.; Chahkandi, M.; Frontera, A.; Hassanpoor, A.","Influence of accompanying anions on supramolecular assembly and coordination geometry in HgII complexes with 8-aminoquinoline: experimental and theoretical studies","CrystEngComm","2013","15","7","1404","","10.1039/c2ce26658j","","","0.71073","MoKα","","0.051","0.0442","","","0.1174","0.1228","","","","","","1.085","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209139","7.1277","0.0013","21.708","0.004","7.7585","0.0014","90","","102.497","0.003","90","","1172","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H9 Ag2 N3 O6 -","- C8 H9 Ag2 N3 O6 -","- C32 H36 Ag8 N12 O24 -","4","1","","Sun, Di; Liu, Fu-Jing; Huang, Rong-Bin; Zheng, Lan-Sun","Structural diversity of Ag/3-nitrophthalate coordination polymers controlled by solvent and induction agent","CrystEngComm","2013","15","6","1185","","10.1039/c2ce26659h","","","0.71073","MoKα","","0.0286","0.0276","","","0.0723","0.0729","","","","","","1.082","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209140","13.715","0.0005","10.8413","0.0004","7.3319","0.0003","90","","102.586","0.004","90","","1063.97","0.07","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 Ag2 N2 O6 -","- C8 H6 Ag2 N2 O6 -","- C32 H24 Ag8 N8 O24 -","4","1","","Sun, Di; Liu, Fu-Jing; Huang, Rong-Bin; Zheng, Lan-Sun","Structural diversity of Ag/3-nitrophthalate coordination polymers controlled by solvent and induction agent","CrystEngComm","2013","15","6","1185","","10.1039/c2ce26659h","","","0.71073","MoKα","","0.0326","0.0288","","","0.0696","0.0714","","","","","","1.119","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209141","13.132","0.003","6.9261","0.0014","24.512","0.005","90","","90","","90","","2229.5","0.8","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H9 Ag N2 O7 -","- C8 H9 Ag N2 O7 -","- C64 H72 Ag8 N16 O56 -","8","1","","Sun, Di; Liu, Fu-Jing; Huang, Rong-Bin; Zheng, Lan-Sun","Structural diversity of Ag/3-nitrophthalate coordination polymers controlled by solvent and induction agent","CrystEngComm","2013","15","6","1185","","10.1039/c2ce26659h","","","0.71073","MoKα","","0.0497","0.0413","","","0.1026","0.1092","","","","","","1.048","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209142","6.7018","0.0013","22.923","0.005","15.748","0.003","90","","96.49","0.03","90","","2403.8","0.9","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 Ag4 N6 O13 -","- C16 H20 Ag4 N6 O13 -","- C64 H80 Ag16 N24 O52 -","4","1","","Sun, Di; Liu, Fu-Jing; Huang, Rong-Bin; Zheng, Lan-Sun","Structural diversity of Ag/3-nitrophthalate coordination polymers controlled by solvent and induction agent","CrystEngComm","2013","15","6","1185","","10.1039/c2ce26659h","","","0.71073","MoKα","","0.0576","0.0421","","","0.0991","0.1141","","","","","","1.009","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209143","14.7762","0.0003","12.6035","0.0002","14.8514","0.0003","90","","93.044","0.001","90","","2761.9","0.09","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H34 Cu2 I2 N2 S2 -","- C22 H34 Cu2 I2 N2 S2 -","- C88 H136 Cu8 I8 N8 S8 -","4","1","","Cheon, Sanghun; Kim, Tae Ho; Jeon, Youngeun; Kim, Jineun; Park, Ki-Min","Novel heptanuclear copper(i) iodide cluster with a pinwheel shape","CrystEngComm","2013","15","3","451","","10.1039/c2ce26664d","","","0.71073","MoKα","","0.0349","0.0282","","","0.0636","0.067","","","","","","1.037","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209144","13.7721","0.0006","14.5307","0.0007","16.5618","0.0008","104.374","0.001","110.692","0.001","103.503","0.001","2808.5","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H61 Cu7 I7 N3 O S3 -","- C37 H61 Cu7 I7 N3 O S3 -","- C74 H122 Cu14 I14 N6 O2 S6 -","2","1","","Cheon, Sanghun; Kim, Tae Ho; Jeon, Youngeun; Kim, Jineun; Park, Ki-Min","Novel heptanuclear copper(i) iodide cluster with a pinwheel shape","CrystEngComm","2013","15","3","451","","10.1039/c2ce26664d","","","0.71073","MoKα","","0.0651","0.0329","","","0.0745","0.102","","","","","","1.065","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209145","17.182","0.003","17.97","0.004","22.695","0.004","90","","90","","90","","7007","2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H46 Cl3 Dy N2 O8 -","- C26 H46 Cl3 Dy N2 O8 -","- C208 H368 Cl24 Dy8 N16 O64 -","8","1","","Zhu, Jing; Song, Hui-Feng; Yan, Peng-Fei; Hou, Guang-Feng; Li, Guang-Ming","Slow relaxation processes of salen type Dy2 complex and 1D ionic spiral Dyn coordination polymer","CrystEngComm","2013","15","9","1747","","10.1039/c2ce26680f","","","0.71073","MoKα","","0.0693","0.0342","","","0.0677","0.0783","","","","","","1.003","","","","has coordinates,has disorder","180422","2020-10-21","18:00:00",""
"7209146","12.389","0.003","22.59","0.004","22.464","0.007","90","","119.74","0.02","90","","5459","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C61 H64 Dy2 N6 O7 -","- C61 H64 Dy2 N6 O7 -","- C244 H256 Dy8 N24 O28 -","4","1","","Zhu, Jing; Song, Hui-Feng; Yan, Peng-Fei; Hou, Guang-Feng; Li, Guang-Ming","Slow relaxation processes of salen type Dy2 complex and 1D ionic spiral Dyn coordination polymer","CrystEngComm","2013","15","9","1747","","10.1039/c2ce26680f","","","0.71073","MoKα","","0.0503","0.0391","","","0.0785","0.0816","","","","","","1.127","","","","has coordinates,has disorder","180422","2020-10-21","18:00:00",""
"7209147","13","0.006","16.363","0.007","3.7037","0.0016","90","","90","","90","","787.8","0.6","150","2","150","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C10 H12 Cd Cl2 N6 O5 -","- C10 H12 Cd Cl2 N6 O5 -","- C20 H24 Cd2 Cl4 N12 O10 -","2","0.5","","Seth, Saikat Kumar","Tuning the formation of MOFs by pH influence: X-ray structural variations and Hirshfeld surface analyses of 2-amino-5-nitropyridine with cadmium chloride","CrystEngComm","2013","15","9","1772","","10.1039/c2ce26682b","","","0.71073","MoKα","","0.032","0.0306","","","0.0727","0.0749","","","","","","1.193","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209148","29.012","0.004","10.4455","0.0012","7.1789","0.0008","90","","92.189","0.004","90","","2173.9","0.5","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C5 H6 Cd Cl3 N3 O2 -","- C5 H6 Cd Cl3 N3 O2 -","- C40 H48 Cd8 Cl24 N24 O16 -","8","1","","Seth, Saikat Kumar","Tuning the formation of MOFs by pH influence: X-ray structural variations and Hirshfeld surface analyses of 2-amino-5-nitropyridine with cadmium chloride","CrystEngComm","2013","15","9","1772","","10.1039/c2ce26682b","","","0.71073","MoKα","","0.0226","0.0207","","","0.0532","0.0543","","","","","","1.054","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209149","14.591","0.017","8.75","0.007","30.538","0.007","90","","90","","90","","3899","6","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C14 H22 Cl2 N4 O2 Pd S -","- C14 H22 Cl2 N4 O2 Pd S -","- C112 H176 Cl16 N32 O16 Pd8 S8 -","8","2","","de León, Antonio; Guerrero, Miguel; García-Antón, Jordi; Ros, Josep; Font-Bardía, Mercè; Pons, Josefina","Study of new metallomacrocyclic Pd(ii) complexes based on hybrid pyrazole sulfoxide/sulfone ligands and their contribution to supramolecular networks","CrystEngComm","2013","15","9","1762","","10.1039/c2ce26687c","","","0.71073","MoKα","","0.0548","0.0285","","","0.062","0.0697","","","","","","1.051","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209150","8.186","0.005","9.317","0.004","13.956","0.006","72.55","0.03","83.78","0.04","72.72","0.04","969.4","0.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H48 Cl4 N8 O6 Pd2 S2 -","- C28 H44 Cl4 N8 O6 Pd2 S2 -","- C28 H44 Cl4 N8 O6 Pd2 S2 -","1","0.5","","de León, Antonio; Guerrero, Miguel; García-Antón, Jordi; Ros, Josep; Font-Bardía, Mercè; Pons, Josefina","Study of new metallomacrocyclic Pd(ii) complexes based on hybrid pyrazole sulfoxide/sulfone ligands and their contribution to supramolecular networks","CrystEngComm","2013","15","9","1762","","10.1039/c2ce26687c","","","0.71073","MoKα","","0.0605","0.0537","","","0.1519","0.1571","","","","","","1.099","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209151","12.5309","0.0006","12.9417","0.0006","18.394","0.0009","94.407","0.001","93.591","0.001","95.061","0.001","2955.3","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C61 H40 Cd2 N4 O12 S2 -","- C61 H40 Cd2 N4 O12 S2 -","- C122 H80 Cd4 N8 O24 S4 -","2","1","","Zhang, Ming-Dao; Di, Chang-Miao; Qin, Ling; Yang, Qing-Xiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Chiral 3D/3D hetero-interpenetrating framework with six kinds of helices, 3D polyrotaxane and 2D network via one-pot reaction","CrystEngComm","2013","15","2","227","","10.1039/c2ce26696b","","","0.71073","MoKα","","0.0421","0.0356","","","0.1248","0.1365","","","","","","1.11","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209152","18.4538","0.0013","25.3442","0.0017","37.783","0.003","90","","90","","90","","17671","2","291","2","291","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C97 H77 Cd2 N9 O16 S2 -","- C97 H77 Cd2 N9 O16 S2 -","- C776 H616 Cd16 N72 O128 S16 -","8","2","","Zhang, Ming-Dao; Di, Chang-Miao; Qin, Ling; Yang, Qing-Xiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Chiral 3D/3D hetero-interpenetrating framework with six kinds of helices, 3D polyrotaxane and 2D network via one-pot reaction","CrystEngComm","2013","15","2","227","","10.1039/c2ce26696b","","","0.71073","MoKα","","0.0861","0.0634","","","0.1291","0.1347","","","","","","1.046","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209153","15.923","0.004","18.233","0.004","19.264","0.007","98.129","0.005","106.949","0.005","115.195","0.004","4608","2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C97 H71 Cd2 N9 O13 S2 -","- C97 H71 Cd2 N9 O13 S2 -","- C194 H142 Cd4 N18 O26 S4 -","2","1","","Zhang, Ming-Dao; Di, Chang-Miao; Qin, Ling; Yang, Qing-Xiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Chiral 3D/3D hetero-interpenetrating framework with six kinds of helices, 3D polyrotaxane and 2D network via one-pot reaction","CrystEngComm","2013","15","2","227","","10.1039/c2ce26696b","","","0.71073","MoKα","","0.0703","0.052","","","0.1502","0.1583","","","","","","1.044","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7209154","11.0361","0.0011","7.7101","0.0007","17.9654","0.0018","90","","105.75","0.002","90","","1471.3","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","propylammonium deoxycholate acetone clathrate","propylammonium deoxycholate acetone clathrate","","- C30 H55 N O5 -","- C30 H55 N O5 -","- C60 H110 N2 O10 -","2","1","","Jacobs, Ayesha; Báthori, Nikoletta B.; Nassimbeni, Luigi R.; Sebogisi, Baganetsi K.","Salts of (+)-deoxycholic acid with amines: structure, thermal stability, kinetics of salt formation, decomposition and chiral resolution","CrystEngComm","2013","15","5","931","","10.1039/c2ce26706c","","","0.71073","MoKα","","0.0554","0.0408","","","0.095","0.1023","","","","","","1.022","","","","has coordinates,has disorder","180422","2020-10-21","18:00:00",""
"7209155","7.7287","0.0006","11.521","0.0009","16.5589","0.0013","81.143","0.002","79.051","0.002","89.485","0.002","1430.03","0.19","173","2","173","2","","","","","","","","4","P 1","P 1","1","di-(propylammonium deoxycholate) hydrate","di-(propylammonium deoxycholate) hydrate","","- C54 H106.26 N2 O12.3 -","- C54 H106.256 N2 O12.3 -","- C54 H106.256 N2 O12.3 -","1","1","","Jacobs, Ayesha; Báthori, Nikoletta B.; Nassimbeni, Luigi R.; Sebogisi, Baganetsi K.","Salts of (+)-deoxycholic acid with amines: structure, thermal stability, kinetics of salt formation, decomposition and chiral resolution","CrystEngComm","2013","15","5","931","","10.1039/c2ce26706c","","","0.71073","MoKα","","0.0543","0.0442","","","0.107","0.1134","","","","","","1.032","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7209156","14.043","0.003","7.8258","0.0016","14.055","0.003","90","","100.94","0.03","90","","1516.5","0.6","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","di-n-butylammonium deoxycholate","di-n-butylammonium deoxycholate","","- C32 H59 N O4 -","- C32 H59 N O4 -","- C64 H118 N2 O8 -","2","1","","Jacobs, Ayesha; Báthori, Nikoletta B.; Nassimbeni, Luigi R.; Sebogisi, Baganetsi K.","Salts of (+)-deoxycholic acid with amines: structure, thermal stability, kinetics of salt formation, decomposition and chiral resolution","CrystEngComm","2013","15","5","931","","10.1039/c2ce26706c","","","0.71073","MoKα","","0.0633","0.0413","","","0.0941","0.1028","","","","","","1.03","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209157","23.511","0.004","7.6318","0.0012","18.196","0.003","90","","123.03","0.02","90","","2737.3","1","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","(R)-2-butylammonium deoxycholate","(R)-2-butylammonium deoxycholate","","- C28 H51 N O4 -","- C28 H51 N O4 -","- C112 H204 N4 O16 -","4","1","","Jacobs, Ayesha; Báthori, Nikoletta B.; Nassimbeni, Luigi R.; Sebogisi, Baganetsi K.","Salts of (+)-deoxycholic acid with amines: structure, thermal stability, kinetics of salt formation, decomposition and chiral resolution","CrystEngComm","2013","15","5","931","","10.1039/c2ce26706c","","","0.71073","MoKα","","0.0663","0.0462","","","0.1115","0.1222","","","","","","1.05","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209158","10.1547","0.0011","7.5678","0.0008","17.645","0.002","90","","90.915","0.003","90","","1355.8","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","(S)-2-butylammonium deoxycholate","(S)-2-butylammonium deoxycholate","","- C28 H51 N O4 -","- C28 H51 N O4 -","- C56 H102 N2 O8 -","2","1","","Jacobs, Ayesha; Báthori, Nikoletta B.; Nassimbeni, Luigi R.; Sebogisi, Baganetsi K.","Salts of (+)-deoxycholic acid with amines: structure, thermal stability, kinetics of salt formation, decomposition and chiral resolution","CrystEngComm","2013","15","5","931","","10.1039/c2ce26706c","","","0.71073","MoKα","","0.0492","0.0403","","","0.0986","0.1046","","","","","","1.024","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209159","11.501","0.002","7.7042","0.0015","17.175","0.003","90","","106.19","0.03","90","","1461.5","0.5","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","(R)-3-methyl-2-butylammonium deoxycholate","(R)-3-methyl-2-butylammonium deoxycholate","","- C29 H53 N O4 -","- C29 H53 N O4 -","- C58 H106 N2 O8 -","2","1","","Jacobs, Ayesha; Báthori, Nikoletta B.; Nassimbeni, Luigi R.; Sebogisi, Baganetsi K.","Salts of (+)-deoxycholic acid with amines: structure, thermal stability, kinetics of salt formation, decomposition and chiral resolution","CrystEngComm","2013","15","5","931","","10.1039/c2ce26706c","","","0.71073","MoKα","","0.0869","0.0494","","","0.1192","0.138","","","","","","1.006","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209160","11.026","0.002","7.5245","0.0015","17.6","0.004","90","","105.26","0.03","90","","1408.7","0.5","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","(S)-3-methyl-2-butylammonium deoxycholate","(S)-3-methyl-2-butylammonium deoxycholate","","- C29 H53 N O4 -","- C29 H53 N O4 -","- C58 H106 N2 O8 -","2","1","","Jacobs, Ayesha; Báthori, Nikoletta B.; Nassimbeni, Luigi R.; Sebogisi, Baganetsi K.","Salts of (+)-deoxycholic acid with amines: structure, thermal stability, kinetics of salt formation, decomposition and chiral resolution","CrystEngComm","2013","15","5","931","","10.1039/c2ce26706c","","","0.71073","MoKα","","0.0938","0.0425","","","0.0869","0.0989","","","","","","0.964","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209161","18.9143","0.0007","21.0884","0.0009","5.2773","0.0002","90","","90","","90","","2104.97","0.14","100","2","100","2","","","","","","","synthesis as described","4","P n m a","-P 2ac 2n","62","","","","- C15 H24 O9 S3 -","- C15 H24 O9 S3 -","- C60 H96 O36 S12 -","4","0.5","","Davey, Roger J.; Brychczynska, Monika; Sadiq, Ghazala; Dent, Geoffrey; Pritchard, Robin G.","Crystallising trimesic acid from DMSO solutions ‒ can crystallography teach us anything about the process of crystal nucleation?","CrystEngComm","2013","15","5","856","","10.1039/c2ce26712h","","x-ray","0.71073","MoKα","","0.1439","0.088","","","0.176","0.2067","","","","","","1.021","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209162","16.95","0.003","13.32","0.003","13.85","0.003","90","","90","","90","","3127","1.1","128","2","128","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C24 H20 N10 O4 S2 Zn -","- C24 H20 N10 O4 S2 Zn -","- C96 H80 N40 O16 S8 Zn4 -","4","0.5","","Pandurangan, Komala; Kitchen, Jonathan A.; McCabe, Thomas; Gunnlaugsson, Thorfinnur","Hydrogen bonding interactions and supramolecular networks of pyridine-aryl based thiosemicarbazides and their Zn(ii) complexes","CrystEngComm","2013","15","7","1421","","10.1039/c2ce26718g","","","0.71073","MoKα","","0.0631","0.0598","","","0.2037","0.2162","","","","","","1.147","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209163","17.125","0.003","13.543","0.003","13.762","0.003","90","","90","","90","","3191.7","1.1","128","2","128","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C26 H20 F6 N8 S2 Zn -","- C26 H20 F6 N8 S2 Zn -","- C104 H80 F24 N32 S8 Zn4 -","4","0.5","","Pandurangan, Komala; Kitchen, Jonathan A.; McCabe, Thomas; Gunnlaugsson, Thorfinnur","Hydrogen bonding interactions and supramolecular networks of pyridine-aryl based thiosemicarbazides and their Zn(ii) complexes","CrystEngComm","2013","15","7","1421","","10.1039/c2ce26718g","","","0.71073","MoKα","","0.0869","0.0709","","","0.2327","0.2734","","","","","","1.339","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209164","9.928","0.002","11.123","0.002","12.86","0.003","74.09","0.03","89.89","0.03","65.9","0.03","1236.8","0.6","108","2","108","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H11 F N4 S -","- C12 H11 F N4 S -","- C48 H44 F4 N16 S4 -","4","2","","Pandurangan, Komala; Kitchen, Jonathan A.; McCabe, Thomas; Gunnlaugsson, Thorfinnur","Hydrogen bonding interactions and supramolecular networks of pyridine-aryl based thiosemicarbazides and their Zn(ii) complexes","CrystEngComm","2013","15","7","1421","","10.1039/c2ce26718g","","","0.71073","MoKα","","0.0459","0.0426","","","0.0917","0.0937","","","","","","1.139","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209165","8.7107","0.0008","16.0126","0.0015","20.772","0.002","90","","90","","90","","2897.3","0.5","108","2","108","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H16 N4 S -","- C14 H16 N4 S -","- C112 H128 N32 S8 -","8","1","","Pandurangan, Komala; Kitchen, Jonathan A.; McCabe, Thomas; Gunnlaugsson, Thorfinnur","Hydrogen bonding interactions and supramolecular networks of pyridine-aryl based thiosemicarbazides and their Zn(ii) complexes","CrystEngComm","2013","15","7","1421","","10.1039/c2ce26718g","","","0.71073","MoKα","","0.0433","0.0373","","","0.0948","0.0992","","","","","","1.028","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209166","8.628","0.0017","14.716","0.003","9.834","0.002","90","","111.82","0.03","90","","1159.2","0.5","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H11 N5 S -","- C11 H11 N5 S -","- C44 H44 N20 S4 -","4","2","","Pandurangan, Komala; Kitchen, Jonathan A.; McCabe, Thomas; Gunnlaugsson, Thorfinnur","Hydrogen bonding interactions and supramolecular networks of pyridine-aryl based thiosemicarbazides and their Zn(ii) complexes","CrystEngComm","2013","15","7","1421","","10.1039/c2ce26718g","","","0.71073","MoKα","","0.024","0.0238","","","0.0595","0.0596","","","","","","1.07","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209167","7.0476","0.0014","9.2828","0.0019","10.069","0.002","90","","105.45","0.03","90","","634.9","0.2","106","2","106","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C12 H11 N5 O2 S -","- C12 H11 N5 O2 S -","- C24 H22 N10 O4 S2 -","2","1","","Pandurangan, Komala; Kitchen, Jonathan A.; McCabe, Thomas; Gunnlaugsson, Thorfinnur","Hydrogen bonding interactions and supramolecular networks of pyridine-aryl based thiosemicarbazides and their Zn(ii) complexes","CrystEngComm","2013","15","7","1421","","10.1039/c2ce26718g","","","0.71073","MoKα","","0.0193","0.0193","","","0.0516","0.0516","","","","","","1.052","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209168","12.38","0.003","16.488","0.003","21.246","0.004","90","","90","","90","","4336.8","1.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H24 Cd4 N16 O12 -","- C32 H24 Cd4 N16 O12 -","- C128 H96 Cd16 N64 O48 -","4","1","","Liang, Li; Yang, Chengfeng; Ma, Yingzhao; Deng, Hong","In situ hydrothermal syntheses of five new cadmium(ii) coordination polymers based on 3-(1H-tetrazol-5-yl)benzoate ligand","CrystEngComm","2013","15","2","365","","10.1039/c2ce26720a","","","0.71073","MoKα","","0.0849","0.0682","","","0.1939","0.2049","","","","","","1.077","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209169","10.984","0.01","17.667","0.016","26.08","0.02","90","","90","","90","","5061","8","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H20 Cd N8 O2 -","- C28 H20 Cd N8 O2 -","- C224 H160 Cd8 N64 O16 -","8","1","","Liang, Li; Yang, Chengfeng; Ma, Yingzhao; Deng, Hong","In situ hydrothermal syntheses of five new cadmium(ii) coordination polymers based on 3-(1H-tetrazol-5-yl)benzoate ligand","CrystEngComm","2013","15","2","365","","10.1039/c2ce26720a","","","0.71073","MoKα","","0.0466","0.0307","","","0.0655","0.0732","","","","","","1.031","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209170","25.919","0.004","9.9766","0.0016","17.701","0.003","90","","128.489","0.002","90","","3582.7","1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H12 Cd N6 O2 -","- C20 H12 Cd N6 O2 -","- C160 H96 Cd8 N48 O16 -","8","1","","Liang, Li; Yang, Chengfeng; Ma, Yingzhao; Deng, Hong","In situ hydrothermal syntheses of five new cadmium(ii) coordination polymers based on 3-(1H-tetrazol-5-yl)benzoate ligand","CrystEngComm","2013","15","2","365","","10.1039/c2ce26720a","","","0.71073","MoKα","","0.0402","0.0289","","","0.0635","0.0685","","","","","","1.067","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209171","13.6219","0.0013","16.5119","0.0016","13.4293","0.0013","90","","93.153","0.001","90","","3016","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H18 Cd3 N10 O9 -","- C28 H18 Cd3 N10 O9 -","- C112 H72 Cd12 N40 O36 -","4","1","","Liang, Li; Yang, Chengfeng; Ma, Yingzhao; Deng, Hong","In situ hydrothermal syntheses of five new cadmium(ii) coordination polymers based on 3-(1H-tetrazol-5-yl)benzoate ligand","CrystEngComm","2013","15","2","365","","10.1039/c2ce26720a","","","0.71073","MoKα","","0.0303","0.0272","","","0.0602","0.0612","","","","","","1.194","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209172","18.22","0.003","13.269","0.002","6.8783","0.0011","90","","90","","90","","1662.9","0.5","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H10 Cd N8 O4 -","- C16 H10 Cd N8 O4 -","- C64 H40 Cd4 N32 O16 -","4","1","","Liang, Li; Yang, Chengfeng; Ma, Yingzhao; Deng, Hong","In situ hydrothermal syntheses of five new cadmium(ii) coordination polymers based on 3-(1H-tetrazol-5-yl)benzoate ligand","CrystEngComm","2013","15","2","365","","10.1039/c2ce26720a","","","0.71073","MoKα","","0.0347","0.0278","","","0.057","0.0603","","","","","","1.02","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209173","10.735","0.002","12.852","0.003","14.491","0.003","84.6","0.03","74.08","0.03","65.93","0.03","1755.1","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H68 Mn3 N10 O24 -","- C72 H68 Mn3 N10 O24 -","- C72 H68 Mn3 N10 O24 -","1","0.5","","Chen, Yong-Qiang; Liu, Sui-Jun; Li, Yun-Wu; Li, Guo-Rong; He, Kun-Huan; Chang, Ze; Bu, Xian-He","Mn(ii) metal‒organic frameworks based on Mn3 clusters: from 2D layer to 3D framework by the “pillaring” approach","CrystEngComm","2013","15","8","1613","","10.1039/c2ce26734a","","","0.71073","MoKα","","0.1321","0.0741","","","0.1354","0.1529","","","","","","1.041","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209174","12.271","0.003","13.775","0.003","14.061","0.003","89.21","0.02","65.01","0.03","71.28","0.03","2019.7","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C90 H70 Mn3 N16 O20 -","- C90 H70 Mn3 N16 O20 -","- C90 H70 Mn3 N16 O20 -","1","0.5","","Chen, Yong-Qiang; Liu, Sui-Jun; Li, Yun-Wu; Li, Guo-Rong; He, Kun-Huan; Chang, Ze; Bu, Xian-He","Mn(ii) metal‒organic frameworks based on Mn3 clusters: from 2D layer to 3D framework by the “pillaring” approach","CrystEngComm","2013","15","8","1613","","10.1039/c2ce26734a","","","0.71073","MoKα","","0.1581","0.0847","","","0.1569","0.1797","","","","","","1.041","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209175","8.3499","0.0002","12.4558","0.0003","13.7987","0.0004","90","","90","","90","","1435.13","0.06","293","2","293","2","","","","","","","","4","P b a m","-P 2 2ab","55","","","","- C15 H12 Co O6.5 -","- C15 H11 Co O6.5 -","- C60 H44 Co4 O26 -","4","0.5","","Sun, Hao-Ling; Jiang, Rui; Li, Zongsheng; Dong, Yong Qiang; Du, Miao","Novel (4,8)-connected scu coordination framework constructed by tetrakis(4-benzoic acid)ethylene","CrystEngComm","2013","15","9","1669","","10.1039/c2ce26761f","","","0.71073","MoKα","","0.0433","0.0364","","","0.1022","0.1061","","","","","","1.109","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7209176","35.272","0.01","35.272","0.01","5.282","0.001","90","","90","","120","","5691","3","290","2","290","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C45 H38 N6 O4 -","- C45 H37.98 N6 O4 -","- C270 H227.88 N36 O24 -","6","0.333333","","Prohens, Rafel; Font-Bardia, Mercè; Barbas, Rafael","Water wires in the nanoporous form II of carbamazepine: a single-crystal X-ray diffraction analysis","CrystEngComm","2013","15","5","845","","10.1039/c2ce26787j","","","0.71073","MoKα","","0.1145","0.0762","","","0.1766","0.1954","","","","","","1.21","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209177","9.8116","0.0009","9.9911","0.0009","15.5601","0.0014","81.117","0.001","84.035","0.001","70.191","0.001","1415.7","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H54 Cu2 F12 N12 O18 P2 -","- C42 H54 Cu2 F12 N12 O18 P2 -","- C42 H54 Cu2 F12 N12 O18 P2 -","1","0.5","","Mitra, Monojit; Manna, Prankrishna; Seth, Saikat Kumar; Das, Amrita; Meredith, Joanne; Helliwell, Madeleine; Bauzá, Antonio; Choudhury, Somnath Ray; Frontera, Antonio; Mukhopadhyay, Subrata","Salt-bridge‒π (sb‒π) interactions at work: associative interactions of sb‒π, π‒π and anion‒π in Cu(ii)-malonate‒2-aminopyridine‒hexafluoridophosphate ternary system","CrystEngComm","2013","15","4","686","","10.1039/c2ce26790j","","","0.71073","MoKα","","0.0428","0.0311","","","0.0858","0.0974","","","","","","1.097","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209178","12.6675","0.0004","12.9716","0.0004","13.7656","0.0005","107.358","0.001","114.619","0.001","103.137","0.001","1794.36","0.11","180","2","180","2","","","","","","","","5","P -1","-P 1","2","Lamotrigine hemiadipate n-butyl acetate solvate","3,5-diamino-6-(2,3-dichlorophenyl)-1,2,4-triazin-2-ium - adipate - n-butyl acetate solvate (2:1:1)","","- C30 H36 Cl4 N10 O6 -","- C30 H36 Cl4 N10 O6 -","- C60 H72 Cl8 N20 O12 -","2","1","","Galcera, Judit; Friščić, Tomislav; Molins, Elies; Jones, William","Isostructurality in three-component crystals achieved by the combination of persistent hydrogen bonding motifs and solvent inclusion","CrystEngComm","2013","15","7","1332","","10.1039/c2ce26791h","","","0.71073","MoKα","","0.1445","0.0821","","","0.2564","0.2942","","","","","","1.043","","","","has coordinates,has disorder","180422","2020-10-21","18:00:00",""
"7209179","12.6839","0.0002","13.1519","0.0002","13.6466","0.0002","107.084","0.001","114.367","0.001","101.984","0.001","1835.4","0.06","180","2","180","2","","","","","","","","5","P -1","-P 1","2","Lamotrigine hemiadipate tetrahydrofuran solvate","3,5-diamino-6-(2,3-dichlorophenyl)-1,2,4-triazin-2-ium - adipate - tetrahydofuran solvate (2:1:2)","","- C32 H40 Cl4 N10 O6 -","- C32 H40 Cl4 N10 O6 -","- C64 H80 Cl8 N20 O12 -","2","1","","Galcera, Judit; Friščić, Tomislav; Molins, Elies; Jones, William","Isostructurality in three-component crystals achieved by the combination of persistent hydrogen bonding motifs and solvent inclusion","CrystEngComm","2013","15","7","1332","","10.1039/c2ce26791h","","","0.7107","MoKα","","0.0989","0.0719","","","0.1678","0.1805","","","","","","1.097","","","","has coordinates,has disorder","180422","2020-10-21","18:00:00",""
"7209180","12.5864","0.0003","13.5421","0.0003","13.9251","0.0004","104.191","0.002","114.809","0.002","105.476","0.002","1895.43","0.11","180","2","180","2","","","","","","","","5","P -1","-P 1","2","Lamotrigine hemipimelate n-butyl acetate solvate","3,5-diamino-6-(2,3-dichlorophenyl)-1,2,4-triazin-2-ium - pimelate - n-butyl acetate solvate (2:1:1)","","- C31 H38 Cl4 N10 O6 -","- C31 H38 Cl4 N10 O6 -","- C62 H76 Cl8 N20 O12 -","2","1","","Galcera, Judit; Friščić, Tomislav; Molins, Elies; Jones, William","Isostructurality in three-component crystals achieved by the combination of persistent hydrogen bonding motifs and solvent inclusion","CrystEngComm","2013","15","7","1332","","10.1039/c2ce26791h","","","0.71073","MoKα","","0.0817","0.069","","","0.1795","0.1901","","","","","","1.038","","","","has coordinates,has disorder","180422","2020-10-21","18:00:00",""
"7209181","12.983","0.0003","13.6706","0.0003","13.8425","0.0004","102.681","0.001","115.756","0.001","106.841","0.002","1940.4","0.1","180","2","180","2","","","","","","","","5","P -1","-P 1","2","Lamotrigine hemipimelate tetrahydrofuran solvate","3,5-diamino-6-(2,3-dichlorophenyl)-1,2,4-triazin-2-ium - pimelate - tetrahydrofuran solvate (2:1:2)","","- C33 H42 Cl4 N10 O6 -","- C33 H42 Cl4 N10 O6 -","- C66 H84 Cl8 N20 O12 -","2","1","","Galcera, Judit; Friščić, Tomislav; Molins, Elies; Jones, William","Isostructurality in three-component crystals achieved by the combination of persistent hydrogen bonding motifs and solvent inclusion","CrystEngComm","2013","15","7","1332","","10.1039/c2ce26791h","","","0.71073","MoKα","","0.0951","0.0778","","","0.2039","0.2172","","","","","","1.052","","","","has coordinates,has disorder","180422","2020-10-21","18:00:00",""
"7209182","10.5156","0.0003","9.1793","0.0003","12.2202","0.0004","90","","98.381","0.001","90","","1166.97","0.06","89","2","89","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C14 H5 F4 N3 -","- C14 H5 F4 N3 -","- C56 H20 F16 N12 -","4","1","","Lane, Joseph R.; Saunders, Graham C.; Webb, Samantha J.","Engineering of a polar crystal structure exclusively by π‒π stacking between aryl and polyfluoroaryl groups","CrystEngComm","2013","15","7","1293","","10.1039/c2ce26796a","","","0.71073","MoKα","","0.0251","0.025","","","0.0708","0.0709","","","","","","1.076","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209183","18.167","0.005","16.43","0.004","19.731","0.005","90","","93.477","0.003","90","","5879","3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","C-hexyltetracyanoresorcin(4)arene","","","- C59 H82 N4 O12 -","- C58.992 H82 N4 O12 -","- C235.968 H328 N16 O48 -","4","1","","Mossine, Andrew V.; Thavornyutikarn, Praput; Atwood, Jerry L.","Conservation of a unique noncovalent motif in a tetracyanoresorcin[4]arene silver complex","CrystEngComm","2013","15","9","1673","","10.1039/c2ce26802g","","","0.71073","MoKα","","0.0754","0.0572","","","0.1582","0.1734","","","","","","1.037","","","","has coordinates,has disorder","180422","2020-10-21","18:00:00",""
"7209184","15.6936","0.0018","15.9984","0.0019","26.489","0.003","90","","90","","90","","6650.7","1.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","C-hexyltetracyanoresorcin(4)arene silver complex","","","- C59.6 H83 Ag N4 O11.9 -","- C59.6 H68 Ag N4 O11.9 -","- C238.4 H272 Ag4 N16 O47.6 -","4","1","","Mossine, Andrew V.; Thavornyutikarn, Praput; Atwood, Jerry L.","Conservation of a unique noncovalent motif in a tetracyanoresorcin[4]arene silver complex","CrystEngComm","2013","15","9","1673","","10.1039/c2ce26802g","","x-ray","0.71073","MoKα","","0.1634","0.1058","","","0.2857","0.3363","","","","","","1.119","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7209185","13.1028","0.0011","13.5056","0.0011","23.797","0.002","92.405","0.002","91.395","0.001","105.902","0.001","4043.6","0.6","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C26 H46 Cu3 N32 O43 P S8 W12 -","- C26 H46 Cu3 N32 O43 P S8 W12 -","- C52 H92 Cu6 N64 O86 P2 S16 W24 -","2","1","","Zhang, Weisong; Gong, Jingjing; Kang, Zhenhui; Hu, Hailiang; Guo, Zhenyu; Li, Youyong; Liu, Yang; Zhang, Hengchao; Zhang, Lili; Yang, Yanan; Lee, Shuit-Tong","Molecule design and isomorphism synthesis towards artificial enzymes","CrystEngComm","2013","15","4","662","","10.1039/c2ce26820e","","","0.71073","MoKα","","0.0305","0.0264","","","0.0662","0.0681","","","","","","1.045","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209186","13.095","0.003","13.375","0.003","23.823","0.005","92.183","0.004","90.456","0.003","105.986","0.003","4007.5","1.5","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C26 H46 Cu4 N32 O43 S8 Si W12 -","- C26 H42 Cu4 N32 O43 S8 Si W12 -","- C52 H84 Cu8 N64 O86 S16 Si2 W24 -","2","1","","Zhang, Weisong; Gong, Jingjing; Kang, Zhenhui; Hu, Hailiang; Guo, Zhenyu; Li, Youyong; Liu, Yang; Zhang, Hengchao; Zhang, Lili; Yang, Yanan; Lee, Shuit-Tong","Molecule design and isomorphism synthesis towards artificial enzymes","CrystEngComm","2013","15","4","662","","10.1039/c2ce26820e","","","0.71073","MoKα","","0.0418","0.0314","","","0.0934","0.1001","","","","","","0.952","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209187","13.063","0.003","13.512","0.004","23.709","0.006","92.366","0.006","91.564","0.005","105.99","0.005","4016.2","1.8","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C26 H46 Cu3 Mo12 N32 O43 P S8 -","- C26 H46 Cu3 Mo12 N32 O43 P S8 -","- C52 H92 Cu6 Mo24 N64 O86 P2 S16 -","2","1","","Zhang, Weisong; Gong, Jingjing; Kang, Zhenhui; Hu, Hailiang; Guo, Zhenyu; Li, Youyong; Liu, Yang; Zhang, Hengchao; Zhang, Lili; Yang, Yanan; Lee, Shuit-Tong","Molecule design and isomorphism synthesis towards artificial enzymes","CrystEngComm","2013","15","4","662","","10.1039/c2ce26820e","","","0.71073","MoKα","","0.0313","0.0239","","","0.0595","0.0634","","","","","","1.052","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209188","13.0057","0.0007","13.3497","0.0008","23.6446","0.0013","91.917","0.001","91.017","0.001","106.702","0.001","3928.2","0.4","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C26 H46 Cu4 Mo12 N32 O43 S8 Si -","- C26 H42 Cu4 Mo12 N32 O43 S8 Si -","- C52 H84 Cu8 Mo24 N64 O86 S16 Si2 -","2","1","","Zhang, Weisong; Gong, Jingjing; Kang, Zhenhui; Hu, Hailiang; Guo, Zhenyu; Li, Youyong; Liu, Yang; Zhang, Hengchao; Zhang, Lili; Yang, Yanan; Lee, Shuit-Tong","Molecule design and isomorphism synthesis towards artificial enzymes","CrystEngComm","2013","15","4","662","","10.1039/c2ce26820e","","","0.71073","MoKα","","0.0599","0.0569","","","0.1252","0.1267","","","","","","1.06","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209189","8.5321","0.0004","20.7094","0.001","25.769","0.001","90","","90","","90","","4553.2","0.4","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H12 Ag F6 N4 P -","- C8 H12 Ag F6 N4 P -","- C96 H144 Ag12 F72 N48 P12 -","12","3","","Bąk, Joanna M.; Effendy,; Grabowsky, Simon; Lindoy, Leonard F.; Price, Jason R.; Skelton, Brian W.; White, Allan H.","True and quasi-isomorphism in tetrakis(acetonitrile)coinage metal(i) salts","CrystEngComm","2013","15","6","1125","","10.1039/c2ce26824h","","","0.71073","MoKα","","0.1507","0.0378","","","0.0565","0.0706","","","","","","0.762","","","","has coordinates,has disorder","180422","2020-10-21","18:00:00",""
"7209190","24.244","0.001","8.5678","0.0005","20.654","0.001","90","","90","","90","","4290.2","0.4","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C8 H12 Ag Cl N4 O4 -","- C8 H12 Ag Cl N4 O4 -","- C96 H144 Ag12 Cl12 N48 O48 -","12","3","","Bąk, Joanna M.; Effendy,; Grabowsky, Simon; Lindoy, Leonard F.; Price, Jason R.; Skelton, Brian W.; White, Allan H.","True and quasi-isomorphism in tetrakis(acetonitrile)coinage metal(i) salts","CrystEngComm","2013","15","6","1125","","10.1039/c2ce26824h","","","0.71073","MoKα","","0.0432","0.0325","","","0.0656","0.0685","","","","","","1.031","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209191","8.5713","0.0001","21.9018","0.0003","27.8052","0.0005","90","","90","","90","","5219.78","0.13","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H15 Cu F6 N5 P -","- C10 H15 Cu F6 N5 P -","- C120 H180 Cu12 F72 N60 P12 -","12","3","","Bąk, Joanna M.; Effendy,; Grabowsky, Simon; Lindoy, Leonard F.; Price, Jason R.; Skelton, Brian W.; White, Allan H.","True and quasi-isomorphism in tetrakis(acetonitrile)coinage metal(i) salts","CrystEngComm","2013","15","6","1125","","10.1039/c2ce26824h","","","0.71073","MoKα","","0.053","0.0366","","","0.0771","0.0841","","","","","","1.027","","","","has coordinates,has disorder","180422","2020-10-21","18:00:00",""
"7209192","41.11","0.005","41.11","0.005","31.944","0.008","90","","90","","120","","46754","14","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C300 H327 Cu12 N9 O96 -","- C264 H216 Cu12 O84 -","- C792 H648 Cu36 O252 -","3","0.166667","","He, Yuan-Chun; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang","An ideal metal‒organic rhombic dodecahedron for highly efficient adsorption of dyes in an aqueous solution","CrystEngComm","2013","15","5","848","","10.1039/c2ce26836a","","","0.71073","MoKα","","0.3052","0.0692","","","0.0882","0.0944","","","","","","1.023","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209193","13.596","0.002","14.05","0.002","19.495","0.003","90","","125.036","0.008","90","","3049.2","0.8","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H11 N3 O5 Zn -","- C15 H11 N3 O5 Zn -","- C120 H88 N24 O40 Zn8 -","8","1","","Uebler, Jacob W.; Wilson, Julie A.; LaDuca, Robert L.","Donor disposition and aliphatic conformation effects on structure in luminescent zinc dicarboxylate coordination polymers with isomeric dipyridylamide coligands","CrystEngComm","2013","15","8","1586","","10.1039/c2ce26929e","","","0.71073","MoKα","","0.047","0.0372","","","0.09","0.0937","","","","","","1.075","","","","has coordinates,has disorder","180422","2020-10-21","18:00:00",""
"7209194","18.365","0.003","10.5691","0.0018","17.065","0.003","90","","106.028","0.007","90","","3183.6","0.9","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H14 N3 O6.5 Zn -","- C15 H13 N3 O6.5 Zn -","- C120 H104 N24 O52 Zn8 -","8","1","","Uebler, Jacob W.; Wilson, Julie A.; LaDuca, Robert L.","Donor disposition and aliphatic conformation effects on structure in luminescent zinc dicarboxylate coordination polymers with isomeric dipyridylamide coligands","CrystEngComm","2013","15","8","1586","","10.1039/c2ce26929e","","","0.71073","MoKα","","0.0334","0.0283","","","0.08","0.0825","","","","","","1.053","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209195","7.8778","0.0015","23.005","0.004","8.2756","0.0015","90","","107.346","0.002","90","","1431.6","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 N3 O5 Zn -","- C15 H11 N3 O5 Zn -","- C60 H44 N12 O20 Zn4 -","4","1","","Uebler, Jacob W.; Wilson, Julie A.; LaDuca, Robert L.","Donor disposition and aliphatic conformation effects on structure in luminescent zinc dicarboxylate coordination polymers with isomeric dipyridylamide coligands","CrystEngComm","2013","15","8","1586","","10.1039/c2ce26929e","","","0.71073","MoKα","","0.0668","0.0443","","","0.0887","0.0954","","","","","","1.062","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209196","9.664","0.002","9.582","0.002","16.414","0.004","90","","104.43","0.003","90","","1472","0.6","173","2","173","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C15 H13 N3 O5 Zn -","- C15 H13 N3 O5 Zn -","- C60 H52 N12 O20 Zn4 -","4","1","","Uebler, Jacob W.; Wilson, Julie A.; LaDuca, Robert L.","Donor disposition and aliphatic conformation effects on structure in luminescent zinc dicarboxylate coordination polymers with isomeric dipyridylamide coligands","CrystEngComm","2013","15","8","1586","","10.1039/c2ce26929e","","","0.71073","MoKα","","0.11","0.1057","","","0.2217","0.2234","","","","","","1.309","","","","has coordinates,has disorder","180422","2020-10-21","18:00:00",""
"7209197","11.4026","0.0015","7.6683","0.001","17.686","0.002","90","","96.38","0.002","90","","1536.9","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Zn3(maleate)2(OH)2(4-pina)2","","- C30 H24 N6 O12 Zn3 -","- C30 H24 N6 O12 Zn3 -","- C60 H48 N12 O24 Zn6 -","2","0.5","","Uebler, Jacob W.; Wilson, Julie A.; LaDuca, Robert L.","Donor disposition and aliphatic conformation effects on structure in luminescent zinc dicarboxylate coordination polymers with isomeric dipyridylamide coligands","CrystEngComm","2013","15","8","1586","","10.1039/c2ce26929e","","","0.71073","MoKα","","0.0292","0.0242","","","0.0606","0.0632","","","","","","1.063","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209198","7.3106","0.0007","18.8655","0.0017","10.8996","0.001","90","","106.099","0.001","90","","1444.3","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H13 N3 O5 Zn -","- C15 H13 N3 O5 Zn -","- C60 H52 N12 O20 Zn4 -","4","1","","Uebler, Jacob W.; Wilson, Julie A.; LaDuca, Robert L.","Donor disposition and aliphatic conformation effects on structure in luminescent zinc dicarboxylate coordination polymers with isomeric dipyridylamide coligands","CrystEngComm","2013","15","8","1586","","10.1039/c2ce26929e","","","0.71073","MoKα","","0.0303","0.0244","","","0.0591","0.0621","","","","","","1.034","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209201","14.385","0.004","11.708","0.004","10.799","0.003","90","","98.286","0.006","90","","1799.8","0.9","297","2","297","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","1,4-di-O-benzoyl-myo-inositol","","","- C20 H20 O8 -","- C20 H20 O8 -","- C80 H80 O32 -","4","1","","Sureshan, Kana M.; Gonnade, Rajesh G.","Weak becomes strong: remarkable strength of C‒H⋯π hydrogen bond in the presence of O‒H⋯O hydrogen bonds in the crystal stabilization","CrystEngComm","2013","15","9","1676","","10.1039/c3ce26894b","","","0.71073","MoKα","","0.056","0.0376","","","0.0883","0.0967","","","","","","1.031","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209202","4.918","0.0006","20.285","0.008","10.1651","0.0013","85.65","0.02","113.352","0.009","88.33","0.02","926.4","0.4","293","2","293","2","","","100000","","","","","4","P -1","-P 1","2","glutaric acid‒glycine (1/1)","glutaric acid‒glycine (1/1)","","- C7 H13 N O6 -","- C7 H13 N O6 -","- C28 H52 N4 O24 -","4","2","","Zakharov, Boris A.; Losev, Evgeniy A.; Boldyreva, Elena V.","Polymorphism of “glycine‒glutaric acid” co-crystals: the same phase at low temperatures and high pressures","CrystEngComm","2013","15","9","1693","","10.1039/c3ce27013k","","","0.71073","MoKα","","0.1904","0.1095","","","0.272","0.3429","","","","","","1.095","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209203","4.8468","0.0006","20.177","0.004","10.0209","0.0012","85.32","0.02","113.602","0.009","88.18","0.019","892.8","0.2","293","2","293","2","","","700000","","","","","4","P -1","-P 1","2","glutaric acid‒glycine (1/1)","glutaric acid‒glycine (1/1)","","- C7 H13 N O6 -","- C7 H13 N O6 -","- C28 H52 N4 O24 -","4","2","","Zakharov, Boris A.; Losev, Evgeniy A.; Boldyreva, Elena V.","Polymorphism of “glycine‒glutaric acid” co-crystals: the same phase at low temperatures and high pressures","CrystEngComm","2013","15","9","1693","","10.1039/c3ce27013k","","","0.71073","MoKα","","0.1676","0.1011","","","0.2755","0.3404","","","","","","1.091","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209204","19.704","0.0009","38.121","0.0018","23.7705","0.001","90","","110.449","0.002","90","","16729.7","1.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","CB6formI","","","- C90 H92 Cl3 N60 O58 -","- C90 H92 Cl3 N60 O58 -","- C360 H368 Cl12 N240 O232 -","4","1","","Tian, Jian; Liu, Jian; Liu, Jun; Thallapally, Praveen K.","Identification of solid-state forms of cucurbit[6]uril for carbon dioxide capture","CrystEngComm","2013","15","8","1528","","10.1039/c3ce27017c","","","0.71073","MoKα","","0.1192","0.104","","","0.2971","0.3076","","","","","","1.174","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209205","22.1502","0.0004","22.1502","0.0004","47.2588","0.0013","90","","90","","120","","20080.2","0.8","100","2","100","2","","","","","","","","5","P 32","P 32","145","CB6","","","- C180 H262 Cl3 N120 O101 -","- C180 H180 Cl3 N120 O101 -","- C540 H540 Cl9 N360 O303 -","3","1","","Tian, Jian; Liu, Jian; Liu, Jun; Thallapally, Praveen K.","Identification of solid-state forms of cucurbit[6]uril for carbon dioxide capture","CrystEngComm","2013","15","8","1528","","10.1039/c3ce27017c","","","0.71073","MoKα","","0.1873","0.1681","","","0.4077","0.4182","","","","","","2.682","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209206","18.8281","0.000026","7.19429","0.000018","5.73035","0.000014","90","","95.9613","0.0001","90","","772.006","0.003","295","","295","","","","","","","","","4","P 1 21 1","P 2yb","4","(1R,2S)-(-)-Ephedrine D-(-)-tartaric acid","(1R,2S)-(-)-Ephedrine D-(-)-tartaric acid","","- C14 H21 N O7 -","- C14 H21 N O7 -","- C28 H42 N2 O14 -","2","1","","Wu, Han; Habgood, Matthew; Parker, Julia E.; Reeves-McLaren, Nik; Cockcroft, Jeremy K.; Vickers, Martin; West, Anthony R.; Jones, Alan G.","Crystal structure determination by combined synchrotron powder X-ray diffraction and crystal structure prediction: 1 : 1 l-ephedrine d-tartrate","CrystEngComm","2013","15","10","1853","","10.1039/c2ce26097b","powder diffraction","","0.826146","synchrotron","","","","","","","","","","1.874","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209207","11.902","0.005","8.377","0.004","19.291","0.009","90","","98.545","0.009","90","","1902","1.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H34 Cu3 N12 O10 -","- C38 H34 Cu3 N12 O10 -","- C76 H68 Cu6 N24 O20 -","2","0.5","","Zhu, Qilong; Tian, Chongbin; Shen, Chaojun; Sheng, Tianlu; Hu, Shengmin; Wu, Xintao","A three-dimensional coordination polymer based on linear trinuclear copper(ii) clusters featuring a ferromagnetic exchange interaction","CrystEngComm","2013","15","11","2120","","10.1039/c2ce26461g","","","0.71073","MoKα","","0.0797","0.0596","","","0.1637","0.1812","","","","","","1.071","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209208","11.4037","0.0003","8.1964","0.0002","25.3329","0.0007","90","","92.066","0.002","90","","2366.31","0.11","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(1,4,7,10,13,16-hexaoxacyclooctadecane)potassium 3,5- dinitrobenzoate","(1,4,7,10,13,16-hexaoxacyclooctadecane)potassium 3,5-dinitrobenzoate","","- C19 H27 K N2 O12 -","- C19 H27 K N2 O12 -","- C76 H108 K4 N8 O48 -","4","1","","Bukenya, Shamim; Munshi, Tasnim; Scowen, Ian J.; Skyner, Rachael; Whitaker, Darren A.; Seaton, Colin C.","Building multi-component crystals from cations and co-crystals: the use of chaperones","CrystEngComm","2013","15","12","2241","","10.1039/c2ce26498f","","","0.71073","MoKα","","0.0666","0.0391","","","0.0913","0.1052","","","","","","1.052","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209209","9.2865","0.0003","13.1382","0.0004","14.0544","0.0004","71.495","0.001","79.23","0.001","86.232","0.001","1597.41","0.08","173","2","173","2","","","","","","","","5","P -1","-P 1","2","(1,4,7,10,13,16-hexaoxacyclooctadecane)potassium 3,5- dinitrobenzoate 3,5-dinitrobenzoic acid","(1,4,7,10,13,16-hexaoxacyclooctadecane)potassium 3,5-dinitrobenzoate 3,5-dinitrobenzoic acid","","- C26 H31 K N4 O18 -","- C26 H31 K N4 O18 -","- C52 H62 K2 N8 O36 -","2","1","","Bukenya, Shamim; Munshi, Tasnim; Scowen, Ian J.; Skyner, Rachael; Whitaker, Darren A.; Seaton, Colin C.","Building multi-component crystals from cations and co-crystals: the use of chaperones","CrystEngComm","2013","15","12","2241","","10.1039/c2ce26498f","","","0.71073","MoKα","","0.0425","0.0349","","","0.0975","0.1079","","","","","","0.829","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209210","19.7525","0.0003","10.7903","0.0002","8.2793","0.0001","90","","99.556","0.001","90","","1740.13","0.05","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Potassium 3,5-dinitrobenzoate 4-(N,N'-dimethylamino)benzoic acid","","- C16 H14 K N3 O8 -","- C16 H14 K N3 O8 -","- C64 H56 K4 N12 O32 -","4","1","","Bukenya, Shamim; Munshi, Tasnim; Scowen, Ian J.; Skyner, Rachael; Whitaker, Darren A.; Seaton, Colin C.","Building multi-component crystals from cations and co-crystals: the use of chaperones","CrystEngComm","2013","15","12","2241","","10.1039/c2ce26498f","","","0.71073","MoKα","","0.0625","0.04","","","0.1072","0.1195","","","","","","1.035","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209211","6.784","0.0007","7.6611","0.0008","18.6422","0.0018","81.212","0.005","87.658","0.004","86.753","0.005","955.47","0.17","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Sodium 3,5-dinitrobenzoate 4-(N, N'-dimethylamino)benzoic acid dihydrate","","- C16 H18 N3 Na O10 -","- C16 H18 N3 Na O10 -","- C32 H36 N6 Na2 O20 -","2","1","","Bukenya, Shamim; Munshi, Tasnim; Scowen, Ian J.; Skyner, Rachael; Whitaker, Darren A.; Seaton, Colin C.","Building multi-component crystals from cations and co-crystals: the use of chaperones","CrystEngComm","2013","15","12","2241","","10.1039/c2ce26498f","","","0.71073","MoKα","","0.0772","0.0638","","","0.1938","0.2005","","","","","","1.295","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209212","6.1722","0.0004","8.4443","0.0006","18.7848","0.0012","83.049","0.004","82.207","0.004","86.054","0.004","961.52","0.11","296","2","296","2","","","","","","","","4","P -1","-P 1","2","Ammonium 3,5-dinitrobenzoate 4-(N,N'-dimethylamino)benzoate","Ammonium 3,5-dinitrobenzoate 4-(N,N'-dimethylamino)benzoate","","- C16 H21 N5 O8 -","- C16 H21 N5 O8 -","- C32 H42 N10 O16 -","2","1","","Bukenya, Shamim; Munshi, Tasnim; Scowen, Ian J.; Skyner, Rachael; Whitaker, Darren A.; Seaton, Colin C.","Building multi-component crystals from cations and co-crystals: the use of chaperones","CrystEngComm","2013","15","12","2241","","10.1039/c2ce26498f","","","0.71073","MoKα","","0.1685","0.0599","","","0.1431","0.1721","","","","","","0.863","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209213","11.4622","0.0003","8.2534","0.0002","25.9532","0.0006","90","","90.485","0.002","90","","2455.14","0.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(1,4,7,10,13,16-hexaoxacyclooctadecane)ammonium 3,5- dinitrobenzoate","(1,4,7,10,13,16-hexaoxacyclooctadecane)ammonium 3,5-dinitrobenzoate","","- C19 H31 N3 O12 -","- C19 H31 N3 O12 -","- C76 H124 N12 O48 -","4","1","","Bukenya, Shamim; Munshi, Tasnim; Scowen, Ian J.; Skyner, Rachael; Whitaker, Darren A.; Seaton, Colin C.","Building multi-component crystals from cations and co-crystals: the use of chaperones","CrystEngComm","2013","15","12","2241","","10.1039/c2ce26498f","","","0.71073","MoKα","","0.1171","0.0524","","","0.1509","0.1799","","","","","","1.033","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209214","25.1719","0.0005","25.1719","0.0005","10.8188","0.0003","90","","90","","120","","5936.7","0.2","173","2","173","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C24 H32 Cl2 Cu N4 O4 -","- C24 H32 Cl2 Cu N4 O4 -","- C216 H288 Cl18 Cu9 N36 O36 -","9","1","","Lee, Haeri; Noh, Tae Hwan; Jung, Ok-Sang","Construction of kagome-type networks via tridentate ligand: structural properties as alcohol reservoir","CrystEngComm","2013","15","10","1832","","10.1039/c2ce26531a","","","0.71073","MoKα","","0.0697","0.0406","","","0.0647","0.0686","","","","","","1.089","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209215","25.4049","0.0003","25.4049","0.0003","10.6802","0.0002","90","","90","","120","","5969.6","0.15","173","2","173","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C23 H30 Br2 Cu N4 O4 -","- C23 H30 Br2 Cu N4 O4 -","- C207 H270 Br18 Cu9 N36 O36 -","9","1","","Lee, Haeri; Noh, Tae Hwan; Jung, Ok-Sang","Construction of kagome-type networks via tridentate ligand: structural properties as alcohol reservoir","CrystEngComm","2013","15","10","1832","","10.1039/c2ce26531a","","","0.71073","MoKα","","0.0688","0.059","","","0.134","0.1371","","","","","","1.026","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209216","5.8194","0.0002","22.0856","0.0007","16.198","0.0006","90","","90.285","0.003","90","","2081.82","0.12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Benzimidazole salt of pimelic acid","","","- C21 H24 N4 O4 -","- C21 H24 N4 O4 -","- C84 H96 N16 O16 -","4","1","","Pogorzelec-Glaser, Katarzyna; Rachocki, Adam; Ławniczak, Paweł; Pietraszko, Adam; Pawlaczyk, Czesław; Hilczer, Bożena; Pugaczowa-Michalska, Maria","Structure, hydrogen bond network and proton conductivity of new benzimidazole compounds with dicarboxylic acids","CrystEngComm","2013","15","10","1950","","10.1039/c2ce26571k","","","0.71073","MoKα","","0.1065","0.047","","","0.078","0.085","","","","","","1.116","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209217","8.4176","0.0012","14.7394","0.0014","19.1141","0.0019","90","","100.12","0.012","90","","2334.6","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Benzimidazole salt of glutaric acid","","","- C12 H14 N2 O4 -","- C12 H14 N2 O4 -","- C96 H112 N16 O32 -","8","2","","Pogorzelec-Glaser, Katarzyna; Rachocki, Adam; Ławniczak, Paweł; Pietraszko, Adam; Pawlaczyk, Czesław; Hilczer, Bożena; Pugaczowa-Michalska, Maria","Structure, hydrogen bond network and proton conductivity of new benzimidazole compounds with dicarboxylic acids","CrystEngComm","2013","15","10","1950","","10.1039/c2ce26571k","","","0.71073","MoKα","","0.1191","0.0625","","","0.0929","0.1041","","","","","","1.134","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209218","10.2636","0.0004","19.9663","0.0007","12.0807","0.0005","90","","99.979","0.003","90","","2438.2","0.16","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 B2 Cu F8 N7 O4 -","- C17 H19 B2 Cu F8 N7 O4 -","- C68 H76 B8 Cu4 F32 N28 O16 -","4","1","","Ramírez de Arellano, Carmen; Escrivà, Emilio; Gómez-García, Carlos J.; Mínguez Espallargas, Guillermo; Ballesteros, Rafael; Abarca, Belén","Hydrogen bonding versus π-stacking in ferromagnetic interactions. Studies on a copper triazolopyridine complex","CrystEngComm","2013","15","10","1836","","10.1039/c2ce26654g","","","0.71073","MoKα","","0.0493","0.0419","","","0.1121","0.1179","","","","","","1.048","","","","has coordinates,has disorder","180423","2020-10-21","18:00:00",""
"7209219","11.4102","0.0009","7.9586","0.0006","14.2631","0.0011","90","","95.548","0.001","90","","1289.15","0.17","296","2","296","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C16 H29 N6 Ni O13 P2 -","- C16 H15 N6 Ni O13 P2 -","- C32 H30 N12 Ni2 O26 P4 -","2","0.5","","Zhai, Fupeng; Zheng, Qingshu; Chen, Zhenxia; Ling, Yun; Liu, Xiaofeng; Weng, Linhong; Zhou, Yaming","Crystal transformation synthesis of a highly stable phosphonate MOF for selective adsorption of CO2","CrystEngComm","2013","15","11","2040","","10.1039/c2ce26701b","","","0.71073","MoKα","","0.0834","0.0792","","","0.2016","0.2042","","","","","","1.015","","","","has coordinates,has disorder","180423","2020-10-21","18:00:00",""
"7209220","20.319","0.003","20.319","0.003","14.754","0.002","90","","90","","120","","5275.3","1.3","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C48 H72 N18 Ni3 O33 P6 -","- C48 H66 N18 Ni3 O33 P6 -","- C144 H198 N54 Ni9 O99 P18 -","3","0.166667","","Zhai, Fupeng; Zheng, Qingshu; Chen, Zhenxia; Ling, Yun; Liu, Xiaofeng; Weng, Linhong; Zhou, Yaming","Crystal transformation synthesis of a highly stable phosphonate MOF for selective adsorption of CO2","CrystEngComm","2013","15","11","2040","","10.1039/c2ce26701b","","","0.71073","MoKα","","0.0556","0.0397","","","0.0968","0.1078","","","","","","1.072","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209221","7.5069","0.0005","12.8076","0.001","22.2479","0.0017","93.887","0.004","94.965","0.004","92.39","0.004","2123.7","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H48 Cu2 N2 O24 P6 -","- C30 H48 Cu2 N2 O24 P6 -","- C60 H96 Cu4 N4 O48 P12 -","2","1","","Tang, Si-Fu; Pan, Xiao-Bo; Lv, Xiao-Xia; Yan, Shi-Hai; Xu, Xian-Rui; Li, Liang-Jun; Zhao, Xue-Bo","Fabrication of new metal phosphonates from tritopic trisphosphonic acid containing methyl groups and auxiliary ligands: syntheses, structures and gas adsorption properties","CrystEngComm","2013","15","10","1860","","10.1039/c2ce26828k","","","0.71073","MoKα","","0.1371","0.0745","","","0.174","0.2146","","","","","","0.996","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209222","8.0321","0.0015","10.14","0.0019","12.985","0.002","67.54","0.002","85.067","0.002","74.216","0.002","940.3","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H24 Ni1.5 O12 P3 -","- C12 H24 Ni1.5 O12 P3 -","- C24 H48 Ni3 O24 P6 -","2","1","","Tang, Si-Fu; Pan, Xiao-Bo; Lv, Xiao-Xia; Yan, Shi-Hai; Xu, Xian-Rui; Li, Liang-Jun; Zhao, Xue-Bo","Fabrication of new metal phosphonates from tritopic trisphosphonic acid containing methyl groups and auxiliary ligands: syntheses, structures and gas adsorption properties","CrystEngComm","2013","15","10","1860","","10.1039/c2ce26828k","","","0.71073","MoKα","","0.0469","0.0377","","","0.0922","0.0977","","","","","","1.031","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209223","9.981","0.004","10.454","0.004","13.701","0.006","86.396","0.004","71.039","0.004","82.803","0.004","1341","0.9","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H31 N2 Ni O11 P3 -","- C24 H31 N2 Ni O11 P3 -","- C48 H62 N4 Ni2 O22 P6 -","2","1","","Tang, Si-Fu; Pan, Xiao-Bo; Lv, Xiao-Xia; Yan, Shi-Hai; Xu, Xian-Rui; Li, Liang-Jun; Zhao, Xue-Bo","Fabrication of new metal phosphonates from tritopic trisphosphonic acid containing methyl groups and auxiliary ligands: syntheses, structures and gas adsorption properties","CrystEngComm","2013","15","10","1860","","10.1039/c2ce26828k","","","0.71073","MoKα","","0.0387","0.0313","","","0.0759","0.0796","","","","","","1.03","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209224","9.9667","0.0006","10.4207","0.0006","13.3783","0.0008","94.054","0.001","106.84","0.001","93.649","0.001","1321.4","0.14","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H31 N2 Ni O11 P3 -","- C22 H31 N2 Ni O11 P3 -","- C44 H62 N4 Ni2 O22 P6 -","2","1","","Tang, Si-Fu; Pan, Xiao-Bo; Lv, Xiao-Xia; Yan, Shi-Hai; Xu, Xian-Rui; Li, Liang-Jun; Zhao, Xue-Bo","Fabrication of new metal phosphonates from tritopic trisphosphonic acid containing methyl groups and auxiliary ligands: syntheses, structures and gas adsorption properties","CrystEngComm","2013","15","10","1860","","10.1039/c2ce26828k","","","0.71073","MoKα","","0.0545","0.0427","","","0.0955","0.1023","","","","","","1.05","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209225","9.7878","0.0016","10.201","0.0016","14.443","0.003","76.79","0.002","81.902","0.002","66.993","0.001","1290.1","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H27 Cu N2 O9 P3 -","- C22 H27 Cu N2 O9 P3 -","- C44 H54 Cu2 N4 O18 P6 -","2","1","","Tang, Si-Fu; Pan, Xiao-Bo; Lv, Xiao-Xia; Yan, Shi-Hai; Xu, Xian-Rui; Li, Liang-Jun; Zhao, Xue-Bo","Fabrication of new metal phosphonates from tritopic trisphosphonic acid containing methyl groups and auxiliary ligands: syntheses, structures and gas adsorption properties","CrystEngComm","2013","15","10","1860","","10.1039/c2ce26828k","","","0.71073","MoKα","","0.0616","0.0429","","","0.1051","0.1143","","","","","","1.023","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209226","10.1684","0.0007","15.3969","0.0011","16.7062","0.0012","90","","92.608","0.001","90","","2612.8","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H29 Cu N2 O10 P3 -","- C24 H27 Cu N2 O10 P3 -","- C96 H108 Cu4 N8 O40 P12 -","4","1","","Tang, Si-Fu; Pan, Xiao-Bo; Lv, Xiao-Xia; Yan, Shi-Hai; Xu, Xian-Rui; Li, Liang-Jun; Zhao, Xue-Bo","Fabrication of new metal phosphonates from tritopic trisphosphonic acid containing methyl groups and auxiliary ligands: syntheses, structures and gas adsorption properties","CrystEngComm","2013","15","10","1860","","10.1039/c2ce26828k","","","0.71073","MoKα","","0.0368","0.0305","","","0.0789","0.083","","","","","","1.027","","","","has coordinates,has disorder","180423","2020-10-21","18:00:00",""
"7209227","8.7633","0.0006","10.559","0.0007","14.8583","0.001","79.707","0.001","86.776","0.001","67.111","0.001","1246.09","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H31 Cu N2 O11 P3 -","- C22 H28 Cu N2 O10.134 P3 -","- C44 H56 Cu2 N4 O20.268 P6 -","2","1","","Tang, Si-Fu; Pan, Xiao-Bo; Lv, Xiao-Xia; Yan, Shi-Hai; Xu, Xian-Rui; Li, Liang-Jun; Zhao, Xue-Bo","Fabrication of new metal phosphonates from tritopic trisphosphonic acid containing methyl groups and auxiliary ligands: syntheses, structures and gas adsorption properties","CrystEngComm","2013","15","10","1860","","10.1039/c2ce26828k","","","0.71073","MoKα","","0.0513","0.0411","","","0.1033","0.1092","","","","","","1.007","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209228","8.327","0.0004","9.9585","0.0005","13.2645","0.0007","68.034","0.001","82.339","0.001","72.169","0.001","970.88","0.09","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H24.2 Mn1.5 O12.1 P3 -","- C12 H24.2 Mn1.5 O12.1 P3 -","- C24 H48.4 Mn3 O24.2 P6 -","2","1","","Tang, Si-Fu; Pan, Xiao-Bo; Lv, Xiao-Xia; Yan, Shi-Hai; Xu, Xian-Rui; Li, Liang-Jun; Zhao, Xue-Bo","Fabrication of new metal phosphonates from tritopic trisphosphonic acid containing methyl groups and auxiliary ligands: syntheses, structures and gas adsorption properties","CrystEngComm","2013","15","10","1860","","10.1039/c2ce26828k","","","0.71073","MoKα","","0.0385","0.035","","","0.0892","0.0919","","","","","","1.052","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209229","8.8798","0.0006","9.2592","0.0006","15.0913","0.001","104.757","0.001","99.526","0.001","90.516","0.001","1181.63","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H19 N5 O7 Zn -","- C25 H19 N5 O7 Zn -","- C50 H38 N10 O14 Zn2 -","2","1","","Wang, Xiuli; Huang, Jingjing; Liu, Lianli; Liu, Guocheng; Lin, Hongyan; Zhang, Juwen; Chen, Naili; Qu, Yun","Assembly of Zn/Cd coordination polymers containing helixes or polycatenane structures tuned by the tri-pyridyl‒bis-amide ligands with different spacer: syntheses, structures, photoluminescent and photocatalytic properties","CrystEngComm","2013","15","10","1960","","10.1039/c2ce26892b","","","0.71073","MoKα","","0.0407","0.0333","","","0.0906","0.0937","","","","","","1.028","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209230","9.064","0.003","9.558","0.003","13.644","0.004","95.546","0.004","91.307","0.005","90.209","0.005","1176.2","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H19 Cd N5 O7 -","- C25 H19 Cd N5 O7 -","- C50 H38 Cd2 N10 O14 -","2","1","","Wang, Xiuli; Huang, Jingjing; Liu, Lianli; Liu, Guocheng; Lin, Hongyan; Zhang, Juwen; Chen, Naili; Qu, Yun","Assembly of Zn/Cd coordination polymers containing helixes or polycatenane structures tuned by the tri-pyridyl‒bis-amide ligands with different spacer: syntheses, structures, photoluminescent and photocatalytic properties","CrystEngComm","2013","15","10","1960","","10.1039/c2ce26892b","","","0.71073","MoKα","","0.0312","0.0271","","","0.0659","0.0678","","","","","","1.002","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209231","11.9526","0.0009","12.6037","0.0009","16.381","0.0012","90","","102.082","0.001","90","","2413.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H17 N5 O6 Zn -","- C25 H17 N5 O6 Zn -","- C100 H68 N20 O24 Zn4 -","4","1","","Wang, Xiuli; Huang, Jingjing; Liu, Lianli; Liu, Guocheng; Lin, Hongyan; Zhang, Juwen; Chen, Naili; Qu, Yun","Assembly of Zn/Cd coordination polymers containing helixes or polycatenane structures tuned by the tri-pyridyl‒bis-amide ligands with different spacer: syntheses, structures, photoluminescent and photocatalytic properties","CrystEngComm","2013","15","10","1960","","10.1039/c2ce26892b","","","0.71073","MoKα","","0.0741","0.0462","","","0.1256","0.1424","","","","","","1.005","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209232","11.1167","0.0006","14.3657","0.0007","15.1482","0.0008","90","","93.261","0.001","90","","2415.2","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H17 Cd N5 O6 -","- C25 H17 Cd N5 O6 -","- C100 H68 Cd4 N20 O24 -","4","1","","Wang, Xiuli; Huang, Jingjing; Liu, Lianli; Liu, Guocheng; Lin, Hongyan; Zhang, Juwen; Chen, Naili; Qu, Yun","Assembly of Zn/Cd coordination polymers containing helixes or polycatenane structures tuned by the tri-pyridyl‒bis-amide ligands with different spacer: syntheses, structures, photoluminescent and photocatalytic properties","CrystEngComm","2013","15","10","1960","","10.1039/c2ce26892b","","","0.71073","MoKα","","0.0339","0.026","","","0.065","0.0691","","","","","","1.002","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209233","10.4005","0.0002","10.6486","0.0002","13.6321","0.0003","105.307","0.0007","93.835","0.0008","108.935","0.0012","1358.02","0.05","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C7.5 H13.5 Er O12 -","- C7.5 H1.5 Er O12 -","- C30 H6 Er4 O48 -","4","2","","Luo, Yun; Bernot, Kevin; Calvez, Guillaume; Freslon, Stéphane; Daiguebonne, Carole; Guillou, Olivier; Kerbellec, Nicolas; Roisnel, Thierry","1,2,4,5-Benzene-tetra-carboxylic acid: a versatile ligand for high dimensional lanthanide-based coordination polymers","CrystEngComm","2013","15","10","1882","","10.1039/c2ce26940f","","","0.71069","MoKα","","0.0577","0.0454","","","0.1184","0.1278","","","","","","1.046","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209234","11.2874","0.0004","17.5352","0.0003","11.8917","0.0004","90","","106.723","0.001","90","","2254.14","0.12","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/m 1","-P 2yb","11","","","","- C30 H40 O41 Tm4 -","- C30 H5 O41 Tm4 -","- C60 H10 O82 Tm8 -","2","0.5","","Luo, Yun; Bernot, Kevin; Calvez, Guillaume; Freslon, Stéphane; Daiguebonne, Carole; Guillou, Olivier; Kerbellec, Nicolas; Roisnel, Thierry","1,2,4,5-Benzene-tetra-carboxylic acid: a versatile ligand for high dimensional lanthanide-based coordination polymers","CrystEngComm","2013","15","10","1882","","10.1039/c2ce26940f","","x-ray","0.71073","MoKα","","0.0438","0.0328","","","0.0847","0.0912","","","","","","1.081","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209235","10.285","0.0002","11.5717","0.0003","13.5114","0.0004","85.581","0.001","69.209","0.001","63.755","0.001","1342.23","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H29 O25 Tm2 -","- C15 H3 O25 Tm2 -","- C30 H6 O50 Tm4 -","2","1","","Luo, Yun; Bernot, Kevin; Calvez, Guillaume; Freslon, Stéphane; Daiguebonne, Carole; Guillou, Olivier; Kerbellec, Nicolas; Roisnel, Thierry","1,2,4,5-Benzene-tetra-carboxylic acid: a versatile ligand for high dimensional lanthanide-based coordination polymers","CrystEngComm","2013","15","10","1882","","10.1039/c2ce26940f","","","0.71073","MoKα","","0.0587","0.0465","","","0.1371","0.1447","","","","","","1.461","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209236","9.5338","0.0001","11.7159","0.0002","14.7503","0.0003","106.505","0.001","97.684","0.001","101.981","0.001","1512.3","0.05","293","2","293","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C20 H16.5 Gd2.5 O22 -","- C20 H4 Gd2.5 O22 -","- C40 H8 Gd5 O44 -","2","1","","Luo, Yun; Bernot, Kevin; Calvez, Guillaume; Freslon, Stéphane; Daiguebonne, Carole; Guillou, Olivier; Kerbellec, Nicolas; Roisnel, Thierry","1,2,4,5-Benzene-tetra-carboxylic acid: a versatile ligand for high dimensional lanthanide-based coordination polymers","CrystEngComm","2013","15","10","1882","","10.1039/c2ce26940f","","x-ray","0.71073","MoKα","","0.0522","0.0448","","","0.1347","0.1399","","","","","","1.074","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209237","10.4135","0.0002","10.5541","0.0002","14.0372","0.0004","99.595","0.001","99.62","0.001","108.843","0.001","1398.72","0.06","298","2","298","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C15 H26 Er2 O23.5 -","- C15 H3 Er2 O23.5 -","- C30 H6 Er4 O47 -","2","1","","Luo, Yun; Bernot, Kevin; Calvez, Guillaume; Freslon, Stéphane; Daiguebonne, Carole; Guillou, Olivier; Kerbellec, Nicolas; Roisnel, Thierry","1,2,4,5-Benzene-tetra-carboxylic acid: a versatile ligand for high dimensional lanthanide-based coordination polymers","CrystEngComm","2013","15","10","1882","","10.1039/c2ce26940f","","x-ray","0.71069","MoKα","","0.0481","0.0373","","","0.0939","0.1002","","","","","","1.082","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209238","10.2435","0.0001","11.4789","0.0001","14.015","0.0002","84.763","0.001","78.631","0.001","63.819","0.001","1449.83","0.03","298","2","298","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C15 H31 Gd2 O26 -","- C15 H3 Gd2 O26 -","- C30 H6 Gd4 O52 -","2","1","","Luo, Yun; Bernot, Kevin; Calvez, Guillaume; Freslon, Stéphane; Daiguebonne, Carole; Guillou, Olivier; Kerbellec, Nicolas; Roisnel, Thierry","1,2,4,5-Benzene-tetra-carboxylic acid: a versatile ligand for high dimensional lanthanide-based coordination polymers","CrystEngComm","2013","15","10","1882","","10.1039/c2ce26940f","","x-ray","0.71069","MoKα","","0.0487","0.0338","","","0.0791","0.0856","","","","","","1.024","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209239","9.537","0.005","14.761","0.005","23.057","0.005","107.218","0.005","96.735","0.005","97.691","0.005","3030","2","293","2","293","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C40 H56 Gd5 K O56 -","- C40 H8 Gd5 K O56 -","- C80 H16 Gd10 K2 O112 -","2","1","","Luo, Yun; Bernot, Kevin; Calvez, Guillaume; Freslon, Stéphane; Daiguebonne, Carole; Guillou, Olivier; Kerbellec, Nicolas; Roisnel, Thierry","1,2,4,5-Benzene-tetra-carboxylic acid: a versatile ligand for high dimensional lanthanide-based coordination polymers","CrystEngComm","2013","15","10","1882","","10.1039/c2ce26940f","","x-ray","0.71069","MoKα","","0.0825","0.0567","","","0.1625","0.1792","","","","","","1.054","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209240","10.7033","0.0016","11.88","0.004","12.457","0.006","115.528","0.006","106.801","0.005","91.358","0.004","1348","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H52 N18 O9 Zn2 -","- C52 H52 N18 O9 Zn2 -","- C52 H52 N18 O9 Zn2 -","1","0.5","","Liu, Ying-Ying; Liu, Hai-Yan; Ma, Jian-Fang; Yang, Yan; Yang, Jin","Syntheses, structures and photoluminescent properties of Zn(ii) and Cd(ii) coordination polymers with flexible tripodal triazole-containing ligands","CrystEngComm","2013","15","10","1897","","10.1039/c2ce26958a","","","0.71073","MoKα","","0.1829","0.058","","","0.0921","0.1075","","","","","","0.826","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209241","20.494","0.0007","13.4394","0.0005","23.0775","0.0007","90","","93.709","0.003","90","","6342.9","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H62 Cd2 N18 O14 -","- C52 H55 Cd2 N18 O14 -","- C208 H220 Cd8 N72 O56 -","4","0.5","","Liu, Ying-Ying; Liu, Hai-Yan; Ma, Jian-Fang; Yang, Yan; Yang, Jin","Syntheses, structures and photoluminescent properties of Zn(ii) and Cd(ii) coordination polymers with flexible tripodal triazole-containing ligands","CrystEngComm","2013","15","10","1897","","10.1039/c2ce26958a","","","0.71073","MoKα","","0.0878","0.0529","","","0.1675","0.1752","","","","","","1.005","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209242","18.577","0.007","11.671","0.003","18.655","0.005","90","","118.998","0.004","90","","3537.6","1.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H31 N9 O9 Zn2 -","- C34 H31 N9 O9 Zn2 -","- C136 H124 N36 O36 Zn8 -","4","1","","Liu, Ying-Ying; Liu, Hai-Yan; Ma, Jian-Fang; Yang, Yan; Yang, Jin","Syntheses, structures and photoluminescent properties of Zn(ii) and Cd(ii) coordination polymers with flexible tripodal triazole-containing ligands","CrystEngComm","2013","15","10","1897","","10.1039/c2ce26958a","","","1.54184","CuKα","","0.1787","0.0689","","","0.1407","0.1873","","","","","","0.975","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209243","10.3392","0.0014","16.2364","0.0012","22.526","0.002","90","","102.756","0.004","90","","3688.1","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H33 Cd2 N9 O10 -","- C34 H30 Cd2 N9 O10 -","- C136 H120 Cd8 N36 O40 -","4","1","","Liu, Ying-Ying; Liu, Hai-Yan; Ma, Jian-Fang; Yang, Yan; Yang, Jin","Syntheses, structures and photoluminescent properties of Zn(ii) and Cd(ii) coordination polymers with flexible tripodal triazole-containing ligands","CrystEngComm","2013","15","10","1897","","10.1039/c2ce26958a","","","0.71073","MoKα","","0.0914","0.0345","","","0.0464","0.0497","","","","","","0.791","","","","has coordinates,has disorder","180423","2020-10-21","18:00:00",""
"7209244","13.3713","0.0014","14.7967","0.0017","16.661","0.002","103.393","0.008","102.889","0.007","105.532","0.002","2943.3","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H56 N18 O13 Zn3 -","- C60 H56 N18 O13 Zn3 -","- C120 H112 N36 O26 Zn6 -","2","1","","Liu, Ying-Ying; Liu, Hai-Yan; Ma, Jian-Fang; Yang, Yan; Yang, Jin","Syntheses, structures and photoluminescent properties of Zn(ii) and Cd(ii) coordination polymers with flexible tripodal triazole-containing ligands","CrystEngComm","2013","15","10","1897","","10.1039/c2ce26958a","","","0.71073","MoKα","","0.1316","0.066","","","0.1516","0.1854","","","","","","1.003","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209245","9.6371","0.0011","11.5022","0.0014","13.0554","0.0018","72.255","0.012","84.177","0.01","67.195","0.011","1270.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H46 N18 O9 Zn2 -","- C46 H46 N18 O9 Zn2 -","- C46 H46 N18 O9 Zn2 -","1","0.5","","Liu, Ying-Ying; Liu, Hai-Yan; Ma, Jian-Fang; Yang, Yan; Yang, Jin","Syntheses, structures and photoluminescent properties of Zn(ii) and Cd(ii) coordination polymers with flexible tripodal triazole-containing ligands","CrystEngComm","2013","15","10","1897","","10.1039/c2ce26958a","","","1.54184","CuKα","","0.0986","0.0676","","","0.177","0.2003","","","","","","1.011","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209246","11.896","0.002","11.896","0.003","34.2854","0.0017","90","","90","","90","","4851.9","1.5","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C46 H46 Cd2 N18 O9 -","- C46 H44 Cd2 N18 O9 -","- C184 H176 Cd8 N72 O36 -","4","0.5","","Liu, Ying-Ying; Liu, Hai-Yan; Ma, Jian-Fang; Yang, Yan; Yang, Jin","Syntheses, structures and photoluminescent properties of Zn(ii) and Cd(ii) coordination polymers with flexible tripodal triazole-containing ligands","CrystEngComm","2013","15","10","1897","","10.1039/c2ce26958a","","","0.71073","MoKα","","0.0499","0.0331","","","0.0758","0.078","","","","","","0.952","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209247","6.741","0.001","6.743","0.001","8.58","0.002","90","","90","","90","","390","0.12","8","2","8","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-methylurea","N-methylurea","","- C2 H6 N2 O -","- C2 H6 N2 O -","- C8 H24 N8 O4 -","4","1","","Chęcińska, Lilianna; Morgenroth, Wolfgang; Paulmann, Carsten; Jayatilaka, Dylan; Dittrich, Birger","A comparison of electron density from Hirshfeld-atom refinement, X-ray wavefunction refinement and multipole refinement on three urea derivatives","CrystEngComm","2013","15","11","2084","","10.1039/c2ce26964c","","","0.5166","synchrotron","","0.027","0.027","","","","0.058","0.051","","","","","1.485","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209248","4.634","0.001","5.292","0.001","13.943","0.003","90","","95.57","0.03","90","","340.31","0.12","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","N-phenylurea","N-phenylurea","","- C7 H8 N2 O -","- C7 H8 N2 O -","- C14 H16 N4 O2 -","2","1","","Chęcińska, Lilianna; Morgenroth, Wolfgang; Paulmann, Carsten; Jayatilaka, Dylan; Dittrich, Birger","A comparison of electron density from Hirshfeld-atom refinement, X-ray wavefunction refinement and multipole refinement on three urea derivatives","CrystEngComm","2013","15","11","2084","","10.1039/c2ce26964c","","","0.6","synchrotron","","0.021","0.02","","","","0.04","0.028","","","","","2.072","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209249","9.09","0.002","10.372","0.002","11.77","0.002","90","","90","","90","","1109.7","0.4","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","N,N'-diphenylurea","N,N'-diphenylurea","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Chęcińska, Lilianna; Morgenroth, Wolfgang; Paulmann, Carsten; Jayatilaka, Dylan; Dittrich, Birger","A comparison of electron density from Hirshfeld-atom refinement, X-ray wavefunction refinement and multipole refinement on three urea derivatives","CrystEngComm","2013","15","11","2084","","10.1039/c2ce26964c","","","0.6","synchrotron","","0.021","0.02","","","","0.044","0.054","","","","","2.348","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209251","17.5123","0.0017","13.6834","0.0015","15.2911","0.0014","90","","90","","90","","3664.2","0.6","150","2","150","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C18 H12 Co N2 O5 -","- C18 H12 Co N2 O5 -","- C144 H96 Co8 N16 O40 -","8","1","","Sen, Rupam; Mal, Dasarath; Brandão, Paula; Rogez, Guillaume; Lin, Zhi","Synthesis, characterization and observation of structural diversities in a series of transition metal based furan dicarboxylic acid systems","CrystEngComm","2013","15","11","2113","","10.1039/c3ce26306a","","","0.71073","MoKα","","0.0963","0.0645","","","0.2052","0.2272","","","","","","1.13","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209252","17.1691","0.0004","13.5523","0.0004","15.4503","0.0005","90","","90","","90","","3594.99","0.18","296","2","296","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C18 H12 N2 Ni O5 -","- C18 H12 N2 Ni O5 -","- C144 H96 N16 Ni8 O40 -","8","1","","Sen, Rupam; Mal, Dasarath; Brandão, Paula; Rogez, Guillaume; Lin, Zhi","Synthesis, characterization and observation of structural diversities in a series of transition metal based furan dicarboxylic acid systems","CrystEngComm","2013","15","11","2113","","10.1039/c3ce26306a","","","0.71073","MoKα","","0.0729","0.0586","","","0.2131","0.2263","","","","","","1.157","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209253","13.6268","0.0005","16.8885","0.0006","15.9853","0.0005","90","","93.269","0.002","90","","3672.8","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 Co2 N4 O10 -","- C36 H26 Co2 N4 O10 -","- C144 H104 Co8 N16 O40 -","4","1","","Sen, Rupam; Mal, Dasarath; Brandão, Paula; Rogez, Guillaume; Lin, Zhi","Synthesis, characterization and observation of structural diversities in a series of transition metal based furan dicarboxylic acid systems","CrystEngComm","2013","15","11","2113","","10.1039/c3ce26306a","","","0.71073","MoKα","","0.0804","0.0539","","","0.1862","0.2073","","","","","","1.083","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209256","22.1775","0.0005","7.3566","0.0002","22.1781","0.0005","90","","94.089","0.001","90","","3609.17","0.15","296","2","296","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C48 H63 O64 Zn8 -","- C48 H16 O64 Zn8 -","- C96 H32 O128 Zn16 -","2","1","","Sen, Rupam; Mal, Dasarath; Brandão, Paula; Rogez, Guillaume; Lin, Zhi","Synthesis, characterization and observation of structural diversities in a series of transition metal based furan dicarboxylic acid systems","CrystEngComm","2013","15","11","2113","","10.1039/c3ce26306a","","","0.71073","MoKα","","0.0762","0.068","","","0.1953","0.2035","","","","","","1.04","","","","has coordinates,has disorder","180423","2020-10-21","18:00:00",""
"7209257","24.429","0.004","33.425","0.005","20.004","0.003","90","","90","","90","","16334","4","223","2","223","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C96 H194 I6 K6 N60 O76 -","- C96 H103 I6 K6 N60 O34 -","- C384 H412 I24 K24 N240 O136 -","4","0.5","","Li, Zhong-Fei; Liang, Li-Li; Wu, Feng; Zhou, Fa-Gen; Ni, Xin-Long; Feng, Xing; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Clegg, Jack K.; Tao, Zhu; Lindoy, Leonard F.; Wei, Gang","An approach to networks based on coordination of alkyl-substituted cucurbit[5]urils and potassium ions","CrystEngComm","2013","15","10","1994","","10.1039/c3ce26491b","","","0.71073","MoKα","","0.1146","0.0672","","","0.1956","0.212","","","","","","1.088","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209258","25.899","0.002","19.5796","0.0017","34.39","0.003","90","","94.006","0.002","90","","17396","3","223","2","223","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C118 H236 I6 K6 N60 O83 -","- C118 H132 K6 N60 O36 -","- C472 H528 K24 N240 O144 -","4","1","","Li, Zhong-Fei; Liang, Li-Li; Wu, Feng; Zhou, Fa-Gen; Ni, Xin-Long; Feng, Xing; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Clegg, Jack K.; Tao, Zhu; Lindoy, Leonard F.; Wei, Gang","An approach to networks based on coordination of alkyl-substituted cucurbit[5]urils and potassium ions","CrystEngComm","2013","15","10","1994","","10.1039/c3ce26491b","","","0.71073","MoKα","","0.1988","0.1228","","","0.2823","0.3189","","","","","","0.965","","","","has coordinates,has disorder","180423","2020-10-21","18:00:00",""
"7209259","20.565","0.004","27.168","0.005","35.246","0.007","90","","90.155","0.003","90","","19692","7","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C126 H268 Cl6 K6 N60 O92 -","- C126 H143 K6 N60 O34 -","- C504 H572 K24 N240 O136 -","4","1","","Li, Zhong-Fei; Liang, Li-Li; Wu, Feng; Zhou, Fa-Gen; Ni, Xin-Long; Feng, Xing; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Clegg, Jack K.; Tao, Zhu; Lindoy, Leonard F.; Wei, Gang","An approach to networks based on coordination of alkyl-substituted cucurbit[5]urils and potassium ions","CrystEngComm","2013","15","10","1994","","10.1039/c3ce26491b","","","0.71073","MoKα","","0.1799","0.0965","","","0.2481","0.2695","","","","","","1.06","","","","has coordinates,has disorder","180423","2020-10-21","18:00:00",""
"7209260","23.8792","0.0008","34.9081","0.0013","20.2709","0.0008","90","","93.448","0.002","90","","16866.8","1.1","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H70 I2 K2 N20 O21 -","- C42 H47.3333 I K2 N20 O13.6667 -","- C504 H568 I12 K24 N240 O164 -","12","3","","Li, Zhong-Fei; Liang, Li-Li; Wu, Feng; Zhou, Fa-Gen; Ni, Xin-Long; Feng, Xing; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Clegg, Jack K.; Tao, Zhu; Lindoy, Leonard F.; Wei, Gang","An approach to networks based on coordination of alkyl-substituted cucurbit[5]urils and potassium ions","CrystEngComm","2013","15","10","1994","","10.1039/c3ce26491b","","","0.71073","MoKα","","0.1388","0.0934","","","0.2628","0.2946","","","","","","1.003","","","","has coordinates","187017","2020-10-21","18:00:00",""
"7209261","20.2298","0.0008","33.2253","0.0011","29.4252","0.001","90","","95.186","0.002","90","","19696.9","1.2","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H90 Cl2 K2 N20 O30 -","- C45 H49.3333 Cl2 K2 N20 O11.6667 -","- C540 H592 Cl24 K24 N240 O140 -","12","3","","Li, Zhong-Fei; Liang, Li-Li; Wu, Feng; Zhou, Fa-Gen; Ni, Xin-Long; Feng, Xing; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Clegg, Jack K.; Tao, Zhu; Lindoy, Leonard F.; Wei, Gang","An approach to networks based on coordination of alkyl-substituted cucurbit[5]urils and potassium ions","CrystEngComm","2013","15","10","1994","","10.1039/c3ce26491b","","","0.71073","MoKα","","0.1052","0.0651","","","0.1704","0.186","","","","","","0.995","","","","has coordinates","187017","2020-10-21","18:00:00",""
"7209262","11.297","0.002","9.665","0.0019","10.413","0.002","90","","114.59","0.03","90","","1033.8","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H10 Ce O11 -","- C3 H10 Ce O11 -","- C12 H40 Ce4 O44 -","4","1","","Wang, Ping; Fan, Rui-Qing; Liu, Xin-Rong; Wang, Li-Yuan; Yang, Yu-Lin; Cao, Wen-Wu; Yang, Bin; Hasi, WuLiJi; Su, Qing; Mu, Ying","Two-/three-dimensional open lanthanide‒organic frameworks containing rigid/flexible dicarboxylate ligands: synthesis, crystal structure and photoluminescent properties","CrystEngComm","2013","15","10","1931","","10.1039/c3ce26684b","","","0.71073","MoKα","","0.0507","0.042","","","0.0774","0.0792","","","","","","1.051","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209263","9.6103","0.0019","11.531","0.002","12.2","0.002","90","","99.03","0.03","90","","1335.2","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H15 Er O13 -","- C6 H15 Er O13 -","- C24 H60 Er4 O52 -","4","1","","Wang, Ping; Fan, Rui-Qing; Liu, Xin-Rong; Wang, Li-Yuan; Yang, Yu-Lin; Cao, Wen-Wu; Yang, Bin; Hasi, WuLiJi; Su, Qing; Mu, Ying","Two-/three-dimensional open lanthanide‒organic frameworks containing rigid/flexible dicarboxylate ligands: synthesis, crystal structure and photoluminescent properties","CrystEngComm","2013","15","10","1931","","10.1039/c3ce26684b","","","0.71073","MoKα","","0.0313","0.0264","","","0.0927","0.0985","","","","","","0.811","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209264","9.5915","0.0019","11.452","0.002","12.178","0.002","90","","98.96","0.03","90","","1321.3","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H15 O13 Yb -","- C6 H15 O13 Yb -","- C24 H60 O52 Yb4 -","4","1","","Wang, Ping; Fan, Rui-Qing; Liu, Xin-Rong; Wang, Li-Yuan; Yang, Yu-Lin; Cao, Wen-Wu; Yang, Bin; Hasi, WuLiJi; Su, Qing; Mu, Ying","Two-/three-dimensional open lanthanide‒organic frameworks containing rigid/flexible dicarboxylate ligands: synthesis, crystal structure and photoluminescent properties","CrystEngComm","2013","15","10","1931","","10.1039/c3ce26684b","","","0.71073","MoKα","","0.0481","0.0426","","","0.1334","0.1393","","","","","","1.109","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209265","20.423","0.003","20.423","0.003","16.226","0.003","90","","90","","90","","6767.8","1.9","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C10 H12.5 N4 O13.25 Sm2 -","- C10 H12.5 N4 O13.25 Sm2 -","- C160 H200 N64 O212 Sm32 -","16","1","","Wang, Ping; Fan, Rui-Qing; Liu, Xin-Rong; Wang, Li-Yuan; Yang, Yu-Lin; Cao, Wen-Wu; Yang, Bin; Hasi, WuLiJi; Su, Qing; Mu, Ying","Two-/three-dimensional open lanthanide‒organic frameworks containing rigid/flexible dicarboxylate ligands: synthesis, crystal structure and photoluminescent properties","CrystEngComm","2013","15","10","1931","","10.1039/c3ce26684b","","","0.71073","MoKα","","0.0405","0.0299","","","0.0622","0.0652","","","","","","1.039","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209266","20.3131","0.0014","20.3131","0.0014","16.19","0.002","90","","90","","90","","6680.4","1.1","296","2","296","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C10 H12.5 Eu2 N4 O13.25 -","- C10 H12.5 Eu2 N4 O13.25 -","- C160 H200 Eu32 N64 O212 -","16","1","","Wang, Ping; Fan, Rui-Qing; Liu, Xin-Rong; Wang, Li-Yuan; Yang, Yu-Lin; Cao, Wen-Wu; Yang, Bin; Hasi, WuLiJi; Su, Qing; Mu, Ying","Two-/three-dimensional open lanthanide‒organic frameworks containing rigid/flexible dicarboxylate ligands: synthesis, crystal structure and photoluminescent properties","CrystEngComm","2013","15","10","1931","","10.1039/c3ce26684b","","","0.71073","MoKα","","0.0439","0.0312","","","0.0722","0.077","","","","","","1.051","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209267","20.299","0.003","20.299","0.003","16.157","0.003","90","","90","","90","","6657.5","1.9","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C10 H12.5 Gd2 N4 O13.25 -","- C10 H12.5 Gd2 N4 O13.25 -","- C160 H200 Gd32 N64 O212 -","16","1","","Wang, Ping; Fan, Rui-Qing; Liu, Xin-Rong; Wang, Li-Yuan; Yang, Yu-Lin; Cao, Wen-Wu; Yang, Bin; Hasi, WuLiJi; Su, Qing; Mu, Ying","Two-/three-dimensional open lanthanide‒organic frameworks containing rigid/flexible dicarboxylate ligands: synthesis, crystal structure and photoluminescent properties","CrystEngComm","2013","15","10","1931","","10.1039/c3ce26684b","","","0.71073","MoKα","","0.0361","0.0292","","","0.0841","0.0868","","","","","","1.119","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209268","20.227","0.004","20.227","0.004","16.047","0.007","90","","90","","90","","6565","3","296","2","296","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C10 H11.5 N4 O12.75 Tb2 -","- C10 H11.5 N4 O12.75 Tb2 -","- C160 H184 N64 O204 Tb32 -","16","1","","Wang, Ping; Fan, Rui-Qing; Liu, Xin-Rong; Wang, Li-Yuan; Yang, Yu-Lin; Cao, Wen-Wu; Yang, Bin; Hasi, WuLiJi; Su, Qing; Mu, Ying","Two-/three-dimensional open lanthanide‒organic frameworks containing rigid/flexible dicarboxylate ligands: synthesis, crystal structure and photoluminescent properties","CrystEngComm","2013","15","10","1931","","10.1039/c3ce26684b","","","0.71073","MoKα","","0.086","0.0462","","","0.0998","0.1171","","","","","","1.029","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209269","20.213","0.0015","20.213","0.0015","16.001","0.002","90","","90","","90","","6537.5","1.1","296","2","296","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C10 H12.5 Dy2 N4 O13.25 -","- C10 H12.5 Dy2 N4 O13.25 -","- C160 H200 Dy32 N64 O212 -","16","1","","Wang, Ping; Fan, Rui-Qing; Liu, Xin-Rong; Wang, Li-Yuan; Yang, Yu-Lin; Cao, Wen-Wu; Yang, Bin; Hasi, WuLiJi; Su, Qing; Mu, Ying","Two-/three-dimensional open lanthanide‒organic frameworks containing rigid/flexible dicarboxylate ligands: synthesis, crystal structure and photoluminescent properties","CrystEngComm","2013","15","10","1931","","10.1039/c3ce26684b","","","0.71073","MoKα","","0.0456","0.0304","","","0.0666","0.0723","","","","","","1.019","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209270","11.241","0.002","9.6687","0.0019","10.338","0.002","90","","114.51","0.03","90","","1022.3","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H12 O12 Pr -","- C3 H12 O12 Pr -","- C12 H48 O48 Pr4 -","4","1","","Wang, Ping; Fan, Rui-Qing; Liu, Xin-Rong; Wang, Li-Yuan; Yang, Yu-Lin; Cao, Wen-Wu; Yang, Bin; Hasi, WuLiJi; Su, Qing; Mu, Ying","Two-/three-dimensional open lanthanide‒organic frameworks containing rigid/flexible dicarboxylate ligands: synthesis, crystal structure and photoluminescent properties","CrystEngComm","2013","15","10","1931","","10.1039/c3ce26684b","","","0.71073","MoKα","","0.0281","0.0261","","","0.0671","0.0687","","","","","","1.032","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209271","9.7166","0.0019","11.926","0.002","12.38","0.003","90","","99.42","0.03","90","","1415.3","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H15 Nd O13 -","- C6 H15 Nd O13 -","- C24 H60 Nd4 O52 -","4","1","","Wang, Ping; Fan, Rui-Qing; Liu, Xin-Rong; Wang, Li-Yuan; Yang, Yu-Lin; Cao, Wen-Wu; Yang, Bin; Hasi, WuLiJi; Su, Qing; Mu, Ying","Two-/three-dimensional open lanthanide‒organic frameworks containing rigid/flexible dicarboxylate ligands: synthesis, crystal structure and photoluminescent properties","CrystEngComm","2013","15","10","1931","","10.1039/c3ce26684b","","","0.71073","MoKα","","0.038","0.0306","","","0.0706","0.0759","","","","","","1.133","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209272","9.6885","0.0019","11.817","0.002","12.326","0.003","90","","99.26","0.03","90","","1392.8","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H15 O13 Sm -","- C6 H15 O13 Sm -","- C24 H60 O52 Sm4 -","4","1","","Wang, Ping; Fan, Rui-Qing; Liu, Xin-Rong; Wang, Li-Yuan; Yang, Yu-Lin; Cao, Wen-Wu; Yang, Bin; Hasi, WuLiJi; Su, Qing; Mu, Ying","Two-/three-dimensional open lanthanide‒organic frameworks containing rigid/flexible dicarboxylate ligands: synthesis, crystal structure and photoluminescent properties","CrystEngComm","2013","15","10","1931","","10.1039/c3ce26684b","","","0.71073","MoKα","","0.0266","0.0227","","","0.0565","0.0581","","","","","","1.079","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209273","9.6661","0.0019","11.737","0.002","12.315","0.003","90","","99.24","0.03","90","","1379","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H15 Eu O13 -","- C6 H15 Eu O13 -","- C24 H60 Eu4 O52 -","4","1","","Wang, Ping; Fan, Rui-Qing; Liu, Xin-Rong; Wang, Li-Yuan; Yang, Yu-Lin; Cao, Wen-Wu; Yang, Bin; Hasi, WuLiJi; Su, Qing; Mu, Ying","Two-/three-dimensional open lanthanide‒organic frameworks containing rigid/flexible dicarboxylate ligands: synthesis, crystal structure and photoluminescent properties","CrystEngComm","2013","15","10","1931","","10.1039/c3ce26684b","","","0.71073","MoKα","","0.0289","0.0245","","","0.0773","0.0796","","","","","","0.993","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209274","9.659","0.0019","11.718","0.002","12.281","0.003","90","","99.2","0.03","90","","1372.1","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H15 Gd O13 -","- C6 H15 Gd O13 -","- C24 H60 Gd4 O52 -","4","1","","Wang, Ping; Fan, Rui-Qing; Liu, Xin-Rong; Wang, Li-Yuan; Yang, Yu-Lin; Cao, Wen-Wu; Yang, Bin; Hasi, WuLiJi; Su, Qing; Mu, Ying","Two-/three-dimensional open lanthanide‒organic frameworks containing rigid/flexible dicarboxylate ligands: synthesis, crystal structure and photoluminescent properties","CrystEngComm","2013","15","10","1931","","10.1039/c3ce26684b","","","0.71073","MoKα","","0.0273","0.0236","","","0.0638","0.0656","","","","","","1.095","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209275","9.6515","0.0019","11.655","0.002","12.264","0.003","90","","99.14","0.03","90","","1362","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H15 O13 Tb -","- C6 H15 O13 Tb -","- C24 H60 O52 Tb4 -","4","1","","Wang, Ping; Fan, Rui-Qing; Liu, Xin-Rong; Wang, Li-Yuan; Yang, Yu-Lin; Cao, Wen-Wu; Yang, Bin; Hasi, WuLiJi; Su, Qing; Mu, Ying","Two-/three-dimensional open lanthanide‒organic frameworks containing rigid/flexible dicarboxylate ligands: synthesis, crystal structure and photoluminescent properties","CrystEngComm","2013","15","10","1931","","10.1039/c3ce26684b","","","0.71073","MoKα","","0.0409","0.0303","","","0.0663","0.0699","","","","","","1.031","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209276","9.6315","0.0019","11.613","0.002","12.217","0.002","90","","99.13","0.03","90","","1349.2","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H15 Dy O13 -","- C6 H15 Dy O13 -","- C24 H60 Dy4 O52 -","4","1","","Wang, Ping; Fan, Rui-Qing; Liu, Xin-Rong; Wang, Li-Yuan; Yang, Yu-Lin; Cao, Wen-Wu; Yang, Bin; Hasi, WuLiJi; Su, Qing; Mu, Ying","Two-/three-dimensional open lanthanide‒organic frameworks containing rigid/flexible dicarboxylate ligands: synthesis, crystal structure and photoluminescent properties","CrystEngComm","2013","15","10","1931","","10.1039/c3ce26684b","","","0.71073","MoKα","","0.026","0.0233","","","0.0594","0.0608","","","","","","1.02","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209277","9.6205","0.0019","11.564","0.002","12.229","0.002","90","","99.04","0.03","90","","1343.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H15 Ho O13 -","- C6 H15 Ho O13 -","- C24 H60 Ho4 O52 -","4","1","","Wang, Ping; Fan, Rui-Qing; Liu, Xin-Rong; Wang, Li-Yuan; Yang, Yu-Lin; Cao, Wen-Wu; Yang, Bin; Hasi, WuLiJi; Su, Qing; Mu, Ying","Two-/three-dimensional open lanthanide‒organic frameworks containing rigid/flexible dicarboxylate ligands: synthesis, crystal structure and photoluminescent properties","CrystEngComm","2013","15","10","1931","","10.1039/c3ce26684b","","","0.71073","MoKα","","0.0356","0.0286","","","0.0669","0.0698","","","","","","1.044","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209278","14.726","0.003","5.9694","0.0013","18.782","0.004","90","","97.438","0.012","90","","1637.1","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 F N3 O3 S2 -","- C16 H16 F N3 O3 S2 -","- C64 H64 F4 N12 O12 S8 -","4","1","","Hoser, Anna A.; Kamiński, Daniel M.; Matwijczuk, Arkadiusz; Niewiadomy, Andrzej; Gagoś, Mariusz; Woźniak, Krzysztof","On polymorphism of 2-(4-fluorophenylamino)-5-(2,4-dihydroxybenzeno)-1,3,4-thiadiazole (FABT) DMSO solvates","CrystEngComm","2013","15","10","1978","","10.1039/c3ce26778d","","","0.71073","MoKα","","0.1257","0.0565","","","0.125","0.1562","","","","","","0.983","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209279","6.4038","0.0004","10.2494","0.0006","13.1644","0.0009","77.41","0.005","86.768","0.005","82.386","0.005","835.5","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H16 F N3 O3 S2 -","- C16 H16 F N3 O3 S2 -","- C32 H32 F2 N6 O6 S4 -","2","1","","Hoser, Anna A.; Kamiński, Daniel M.; Matwijczuk, Arkadiusz; Niewiadomy, Andrzej; Gagoś, Mariusz; Woźniak, Krzysztof","On polymorphism of 2-(4-fluorophenylamino)-5-(2,4-dihydroxybenzeno)-1,3,4-thiadiazole (FABT) DMSO solvates","CrystEngComm","2013","15","10","1978","","10.1039/c3ce26778d","","","0.71073","MoKα","","0.0634","0.0366","","","0.0763","0.0813","","","","","","0.931","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209280","12.6672","0.0006","12.6672","0.0006","25.4399","0.0018","90","","90","","90","","4082","0.4","296","2","296","2","","","","","","","","5","P 4/n n c :2","-P 4a 2bc","126","","","","- C6 H5 N4 O2 Zn -","- C6 H5 N4 O2 Zn -","- C96 H80 N64 O32 Zn16 -","16","1","","Liu, Bo; Zhao, Ruili; Yang, Guoping; Hou, Lei; Wang, Yao-Yu; Shi, Qi-Zhen","Two isostructural amine-functionalized 3D self-penetrating microporous MOFs exhibiting high sorption selectivity for CO2","CrystEngComm","2013","15","11","2057","","10.1039/c3ce26800d","","","0.71073","MoKα","","0.0501","0.0414","","","0.1153","0.1212","","","","","","1.007","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209281","12.5845","0.0005","12.5845","0.0005","25.4464","0.0014","90","","90","","90","","4029.9","0.3","296","2","296","2","","","","","","","","5","P 4/n n c :2","-P 4a 2bc","126","","","","- C6 H5 Co N4 O2 -","- C6 H5 Co N4 O2 -","- C96 H80 Co16 N64 O32 -","16","1","","Liu, Bo; Zhao, Ruili; Yang, Guoping; Hou, Lei; Wang, Yao-Yu; Shi, Qi-Zhen","Two isostructural amine-functionalized 3D self-penetrating microporous MOFs exhibiting high sorption selectivity for CO2","CrystEngComm","2013","15","11","2057","","10.1039/c3ce26800d","","","0.71073","MoKα","","0.0641","0.0579","","","0.1564","0.1602","","","","","","1.115","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209282","12.668","0.0005","9.6186","0.0004","20.4254","0.0008","90","","95.966","0.004","90","","2475.32","0.17","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 N9 O9 S Zn2 -","- C20 H18 N9 O9 S Zn2 -","- C80 H72 N36 O36 S4 Zn8 -","4","1","","Zhang, Zhe; Ma, Jian-Fang; Liu, Ying-Ying; Kan, Wei-Qiu; Yang, Jin","2D and 3D coordination polymers constructed by a novel hexakis(1,2,4-triazol-ylmethy1)benzene ligand and different carboxylate anions: syntheses, structures, and luminescent properties","CrystEngComm","2013","15","10","2009","","10.1039/c3ce26874h","","","0.71073","MoKα","","0.046","0.0366","","","0.0906","0.0983","","","","","","1.051","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209283","8.91","0.0004","12.007","0.0005","12.526","0.0005","77.708","0.004","76.629","0.004","76.378","0.004","1249.15","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H23 N9 O11 S Zn1.5 -","- C14 H13 N9 O11 S Zn1.5 -","- C28 H26 N18 O22 S2 Zn3 -","2","1","","Zhang, Zhe; Ma, Jian-Fang; Liu, Ying-Ying; Kan, Wei-Qiu; Yang, Jin","2D and 3D coordination polymers constructed by a novel hexakis(1,2,4-triazol-ylmethy1)benzene ligand and different carboxylate anions: syntheses, structures, and luminescent properties","CrystEngComm","2013","15","10","2009","","10.1039/c3ce26874h","","","0.71069","MoKα","","0.0605","0.0475","","","0.1382","0.1495","","","","","","1.057","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209284","16.308","0.0009","10.517","0.0005","22.986","0.0014","90","","104.444","0.006","90","","3817.7","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H32 N18 O16 S3 Zn3 -","- C24 H24 N18 O16 S3 Zn3 -","- C96 H96 N72 O64 S12 Zn12 -","4","1","","Zhang, Zhe; Ma, Jian-Fang; Liu, Ying-Ying; Kan, Wei-Qiu; Yang, Jin","2D and 3D coordination polymers constructed by a novel hexakis(1,2,4-triazol-ylmethy1)benzene ligand and different carboxylate anions: syntheses, structures, and luminescent properties","CrystEngComm","2013","15","10","2009","","10.1039/c3ce26874h","","","0.71069","MoKα","","0.1019","0.0631","","","0.1375","0.1597","","","","","","1.03","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7209285","10.107","0.0005","11.073","0.0007","12.529","0.0008","69.771","0.006","78.299","0.004","81.557","0.004","1283.85","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H23 N9 O7.5 Zn -","- C20 H18 N9 O7.5 Zn -","- C40 H36 N18 O15 Zn2 -","2","1","","Zhang, Zhe; Ma, Jian-Fang; Liu, Ying-Ying; Kan, Wei-Qiu; Yang, Jin","2D and 3D coordination polymers constructed by a novel hexakis(1,2,4-triazol-ylmethy1)benzene ligand and different carboxylate anions: syntheses, structures, and luminescent properties","CrystEngComm","2013","15","10","2009","","10.1039/c3ce26874h","","","0.71069","MoKα","","0.0847","0.0583","","","0.1345","0.152","","","","","","1.016","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209286","10.298","0.0004","11.117","0.0006","12.268","0.0004","67.475","0.004","73.32","0.004","68.923","0.004","1192.25","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H23 Cd N9 O7.5 -","- C20 H23 Cd N9 O7.5 -","- C40 H46 Cd2 N18 O15 -","2","1","","Zhang, Zhe; Ma, Jian-Fang; Liu, Ying-Ying; Kan, Wei-Qiu; Yang, Jin","2D and 3D coordination polymers constructed by a novel hexakis(1,2,4-triazol-ylmethy1)benzene ligand and different carboxylate anions: syntheses, structures, and luminescent properties","CrystEngComm","2013","15","10","2009","","10.1039/c3ce26874h","","","0.71069","MoKα","","0.0237","0.0221","","","0.0561","0.0568","","","","","","1.075","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209287","10.144","0.0008","10.797","0.0008","12.16","0.0008","68.36","0.06","72.963","0.006","70.147","0.007","1142.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 Co N9 O7 -","- C20 H18 Co N9 O7 -","- C40 H36 Co2 N18 O14 -","2","1","","Zhang, Zhe; Ma, Jian-Fang; Liu, Ying-Ying; Kan, Wei-Qiu; Yang, Jin","2D and 3D coordination polymers constructed by a novel hexakis(1,2,4-triazol-ylmethy1)benzene ligand and different carboxylate anions: syntheses, structures, and luminescent properties","CrystEngComm","2013","15","10","2009","","10.1039/c3ce26874h","","","0.71069","MoKα","","0.0804","0.0555","","","0.1185","0.1339","","","","","","1.042","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209288","11.471","0.0008","11.833","0.001","12.272","0.001","80.712","0.007","68.015","0.007","77.768","0.006","1503.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H25 Cu2 N9 O10.5 -","- C28 H20 Cu2 N9 O10.5 -","- C56 H40 Cu4 N18 O21 -","2","1","","Zhang, Zhe; Ma, Jian-Fang; Liu, Ying-Ying; Kan, Wei-Qiu; Yang, Jin","2D and 3D coordination polymers constructed by a novel hexakis(1,2,4-triazol-ylmethy1)benzene ligand and different carboxylate anions: syntheses, structures, and luminescent properties","CrystEngComm","2013","15","10","2009","","10.1039/c3ce26874h","","","0.71069","MoKα","","0.0946","0.062","","","0.1303","0.1511","","","","","","1.006","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209289","20.479","0.007","20.479","0.007","20.479","0.007","90","","90","","90","","8589","5","296","2","296","2","","","","","","","","6","F 2 3","F 2 2 3","196","","","","- B6 Cl2 H10 Na13 O47 P11 -","- B6 Cl2 Na13 O47 P11 -","- B48 Cl16 Na104 O376 P88 -","8","0.166667","","Feng, Yuquan; Li, Min; Shi, Hengzhen; Huang, Qunzeng; Qiu, Dongfang","A novel chlorine-containing borophosphate based on (4,3)-connected 3-D borophosphate anion [B6P11O42(OH)2]13− with unique B : P ratio and 22-tetrahedral cages","CrystEngComm","2013","15","11","2048","","10.1039/c3ce26918c","","","0.71073","MoKα","","0.0541","0.0504","","","0.1171","0.1187","","","","","","1.061","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209290","7.577","0.003","6.894","0.002","8.927","0.004","90","","102.174","0.005","90","","455.8","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Imidazolium L-Tartrate","","","- C7 H10 N2 O6 -","- C7 H10 N2 O6 -","- C14 H20 N4 O12 -","2","1","","Ji, Chengmin; Chen, Tianliang; Sun, Zhihua; Ge, Yan; Lin, Wenxiong; Luo, Junhua; Shi, Qian; Hong, Maochun","Bulk crystal growth and characterization of imidazolium l-tartrate (IMLT): a novel organic nonlinear optical material with a high laser-induced damage threshold","CrystEngComm","2013","15","11","2157","","10.1039/c3ce26942f","","","0.71073","MoKα","","0.0257","0.0246","","","0.0635","0.0641","","","","","","1.041","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209291","23.8931","0.0002","23.8931","0.0002","15.9482","0.0003","90","","90","","90","","9104.5","0.2","293","2","293","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C16 H12 Be4 O12 -","- C16 H12 Be4 O12 -","- C256 H192 Be64 O192 -","16","1","","Kang, Maoping; Luo, Daibing; Lin, Zhien; Thiele, Günther; Dehnen, Stefanie","Crystalline beryllium carboxylate frameworks containing inorganic chains of BeO4 tetrahedra","CrystEngComm","2013","15","10","1845","","10.1039/c3ce26983c","","","0.71073","MoKα","","0.0699","0.0506","","","0.1374","0.1467","","","","","","1.047","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209292","10.3705","0.0004","11.2422","0.0006","18.403","0.0007","90","","90","","90","","2145.55","0.16","293","2","293","2","","","","","","","","4","C c c m","-C 2 2c","66","","","","- C10 H6 Be4 O12 -","- C10 H6 Be4 O12 -","- C40 H24 Be16 O48 -","4","0.25","","Kang, Maoping; Luo, Daibing; Lin, Zhien; Thiele, Günther; Dehnen, Stefanie","Crystalline beryllium carboxylate frameworks containing inorganic chains of BeO4 tetrahedra","CrystEngComm","2013","15","10","1845","","10.1039/c3ce26983c","","","0.71073","MoKα","","0.0708","0.0563","","","0.1554","0.1649","","","","","","1.124","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209321","3.5617","0.0004","11.4103","0.0013","12.0524","0.0014","71.286","0.002","83.404","0.002","87.609","0.002","460.84","0.09","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H4 Cd N6 O2 -","- C7 H4 Cd N6 O2 -","- C14 H8 Cd2 N12 O4 -","2","1","","Ana B. Caballero; Antonio Rodríguez-Diéguez; Elisa Barea; Miguel Quirós; Juan M. Salas","Influence of Pseudohalide Ligands on the Structural Versatility and Properties of Novel Ternary Metal Complexes with 1,2,4-Triazolo[1,5-a]pyrimidine","CrystEngComm","2010","12","","3038","3045","10.1039/c003285a","","","0.71073","MoKα","","0.0218","0.0213","","","0.0544","0.0547","","","","","","1.148","","","","has coordinates,has Fobs","180424","2020-10-21","18:00:00",""
"7209322","3.6149","0.0002","11.4499","0.0007","12.1649","0.0008","70.789","0.001","82.385","0.001","86.674","0.001","471.22","0.05","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C5 H4 Cd N10 -","- C5 H4 Cd N10 -","- C10 H8 Cd2 N20 -","2","1","","Ana B. Caballero; Antonio Rodríguez-Diéguez; Elisa Barea; Miguel Quirós; Juan M. Salas","Influence of Pseudohalide Ligands on the Structural Versatility and Properties of Novel Ternary Metal Complexes with 1,2,4-Triazolo[1,5-a]pyrimidine","CrystEngComm","2010","12","","3038","3045","10.1039/c003285a","","","0.71073","MoKα","","0.0188","0.0178","","","0.0455","0.0461","","","","","","1.062","","","","has coordinates,has Fobs","180424","2020-10-21","18:00:00",""
"7209323","12.51","0.003","12.902","0.003","12.175","0.003","90","","116.431","0.003","90","","1759.7","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Co2 N20 O2 S4 -","- C24 H20 Co2 N20 O2 S4 -","- C48 H40 Co4 N40 O4 S8 -","2","0.5","","Ana B. Caballero; Antonio Rodríguez-Diéguez; Elisa Barea; Miguel Quirós; Juan M. Salas","Influence of Pseudohalide Ligands on the Structural Versatility and Properties of Novel Ternary Metal Complexes with 1,2,4-Triazolo[1,5-a]pyrimidine","CrystEngComm","2010","12","","3038","3045","10.1039/c003285a","","","0.71073","MoKα","","0.0542","0.0387","","","0.0848","0.0911","","","","","","1.061","","","","has coordinates","180424","2020-10-21","18:00:00",""
"7209324","8.3799","0.0019","19.526","0.004","10.357","0.002","90","","90","","90","","1694.7","0.6","293","2","293","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C12 H8 Cd N10 S2 -","- C12 H8 Cd N10 S2 -","- C48 H32 Cd4 N40 S8 -","4","","","Ana B. Caballero; Antonio Rodríguez-Diéguez; Elisa Barea; Miguel Quirós; Juan M. Salas","Influence of Pseudohalide Ligands on the Structural Versatility and Properties of Novel Ternary Metal Complexes with 1,2,4-Triazolo[1,5-a]pyrimidine","CrystEngComm","2010","12","","3038","3045","10.1039/c003285a","","","0.71073","MoKα","","0.031","0.0238","","","0.0546","0.0579","","","","","","1.008","","","","has coordinates","180424","2020-10-21","18:00:00",""
"7209325","8.6882","0.0007","12.6477","0.001","9.0639","0.0007","90","","111.736","0.001","90","","925.18","0.13","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 Mn N10 O2 S2 -","- C12 H12 Mn N10 O2 S2 -","- C24 H24 Mn2 N20 O4 S4 -","2","0.5","","Ana B. Caballero; Antonio Rodríguez-Diéguez; Elisa Barea; Miguel Quirós; Juan M. Salas","Influence of Pseudohalide Ligands on the Structural Versatility and Properties of Novel Ternary Metal Complexes with 1,2,4-Triazolo[1,5-a]pyrimidine","CrystEngComm","2010","12","","3038","3045","10.1039/c003285a","","","0.71073","MoKα","","0.0316","0.0292","","","0.0776","0.0798","","","","","","1.076","","","","has coordinates","180424","2020-10-21","18:00:00",""
"7209326","11.918","0.005","11.34","0.005","12.434","0.005","90","0.005","115.472","0.005","90","0.005","1517.1","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 N10 O2 Zn -","- C12 H8 N10 O2 Zn -","- C48 H32 N40 O8 Zn4 -","4","1","","Ana B. Caballero; Antonio Rodríguez-Diéguez; Elisa Barea; Miguel Quirós; Juan M. Salas","Influence of Pseudohalide Ligands on the Structural Versatility and Properties of Novel Ternary Metal Complexes with 1,2,4-Triazolo[1,5-a]pyrimidine","CrystEngComm","2010","12","","3038","3045","10.1039/c003285a","","","0.71069","MoKα","","0.049","0.0386","","","0.0936","0.0993","","","","","","1.009","","","","has coordinates","180424","2020-10-21","18:00:00",""
"7209327","12.3178","0.0008","12.8907","0.0008","12.1015","0.0008","90","","115.818","0.001","90","","1729.73","0.19","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 N20 Ni2 O2 S4 -","- C24 H20 N20 Ni2 O2 S4 -","- C48 H40 N40 Ni4 O4 S8 -","2","0.5","","Ana B. Caballero; Antonio Rodríguez-Diéguez; Elisa Barea; Miguel Quirós; Juan M. Salas","Influence of Pseudohalide Ligands on the Structural Versatility and Properties of Novel Ternary Metal Complexes with 1,2,4-Triazolo[1,5-a]pyrimidine","CrystEngComm","2010","12","","3038","3045","10.1039/c003285a","","","0.71073","MoKα","","0.0751","0.0462","","","0.0954","0.1058","","","","","","1.028","","","","has coordinates,has Fobs","180424","2020-10-21","18:00:00",""
"7209328","8.3561","0.0008","9.8609","0.0009","11.2066","0.001","86.6056","0.0014","71.833","0.0013","71.3906","0.0013","830.67","0.13","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H8 N10 S2 Zn -","- C12 H8 N10 S2 Zn -","- C24 H16 N20 S4 Zn2 -","2","1","","Ana B. Caballero; Antonio Rodríguez-Diéguez; Elisa Barea; Miguel Quirós; Juan M. Salas","Influence of Pseudohalide Ligands on the Structural Versatility and Properties of Novel Ternary Metal Complexes with 1,2,4-Triazolo[1,5-a]pyrimidine","CrystEngComm","2010","12","","3038","3045","10.1039/c003285a","","","0.71073","MoKα","","0.0388","0.0335","","","0.0892","0.0922","","","","","","1.076","","","","has coordinates,has Fobs","180424","2020-10-21","18:00:00",""
"7209505","14.0437","0.0003","16.4599","0.0003","9.3843","0.0002","90","","99.7969","0.0008","90","","2137.62","0.08","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H32 I2 N2 -","- C17 H32 I2 N2 -","- C68 H128 I8 N8 -","4","1","","Caballero, Antonio; Bennett, Sam; Serpell, Christopher J.; Beer, Paul D.","Iodo-imidazolium salts: halogen bonding in crystals and anion-templated pseudorotaxanes","CrystEngComm","2013","15","16","3076","","10.1039/c2ce26020d","","","0.71073","MoKα","","0.046","0.0346","","0.0821","0.0694","0.0821","","","","","","1.0483","","","","has coordinates,has disorder","180426","2020-10-21","18:00:00",""
"7209506","8.8992","0.0005","9.1246","0.0005","14.513","0.0008","108.091","0.005","93.709","0.004","106.155","0.004","1061.15","0.11","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C17 H34 Cl I N2 O -","- C17 H34 Cl I N2 O -","- C34 H68 Cl2 I2 N4 O2 -","2","1","","Caballero, Antonio; Bennett, Sam; Serpell, Christopher J.; Beer, Paul D.","Iodo-imidazolium salts: halogen bonding in crystals and anion-templated pseudorotaxanes","CrystEngComm","2013","15","16","3076","","10.1039/c2ce26020d","","","1.5418","CuKα","","0.0436","0.0422","","0.1087","0.1067","0.1087","","","","","","1.0779","","","","has coordinates,has disorder","180426","2020-10-21","18:00:00",""
"7209507","8.7542","0.0002","9.3695","0.0002","13.6378","0.0004","71.4823","0.001","74.1255","0.0011","73.9467","0.0011","997.94","0.04","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H35 Br N2 O -","- C17 H35 Br N2 O -","- C34 H70 Br2 N4 O2 -","2","1","","Caballero, Antonio; Bennett, Sam; Serpell, Christopher J.; Beer, Paul D.","Iodo-imidazolium salts: halogen bonding in crystals and anion-templated pseudorotaxanes","CrystEngComm","2013","15","16","3076","","10.1039/c2ce26020d","","","0.71073","MoKα","","0.0727","0.0427","","0.1213","0.0933","0.1213","","","","","","0.92","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209508","18.4148","0.0002","8.7874","0.0001","27.3027","0.0004","90","","107.422","0.0005","90","","4215.4","0.09","150","","150","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C17 H34 Br2 N2 O -","- C17 H34 Br2 N2 O -","- C136 H272 Br16 N16 O8 -","8","2","","Caballero, Antonio; Bennett, Sam; Serpell, Christopher J.; Beer, Paul D.","Iodo-imidazolium salts: halogen bonding in crystals and anion-templated pseudorotaxanes","CrystEngComm","2013","15","16","3076","","10.1039/c2ce26020d","","","0.71073","MoKα","","0.0786","0.0507","","0.1048","0.0948","0.1048","","","","","","1.0066","","","","has coordinates,has disorder","180426","2020-10-21","18:00:00",""
"7209509","18.5049","0.0001","23.8735","0.0002","9.3156","0.0001","90","","90","","90","","4115.42","0.06","173","","173","","","","","","","","","4","F d d 2","F 2 -2d","43","diimidazolatozinc(ii)","diimidazolatozinc(II)","","- C17 H17 N9 Zn2 -","- C17 H17 N9 Zn2 -","- C136 H136 N72 Zn16 -","8","0.5","","Schröder, Christian A.; Baburin, Igor A.; van Wüllen, Leo; Wiebcke, Michael; Leoni, Stefano","Subtle polymorphism of zinc imidazolate frameworks: temperature-dependent ground states in the energy landscape revealed by experiment and theory","CrystEngComm","2013","15","20","4036","","10.1039/c2ce26045j","","","1.54184","CuKα","","0.0284","0.0283","","","0.0731","0.0732","","","","","","1.031","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209510","11.814","0.003","18.304","0.005","7.957","0.002","90","","90","","90","","1720.6","0.8","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","(E)-3-(4-(benzyloxy)phenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one","","- C22 H18 O3 -","- C22 H18 O3 -","- C88 H72 O12 -","4","1","","Ramkumar, V.; Anandhi, S.; Kannan, P.; Gopalakrishnan, R.","Synthesis, single crystal growth, characterization and comparison of two new enone shifted chalcones and their NLO behaviour","CrystEngComm","2013","15","13","2438","","10.1039/c2ce26185e","","","0.71073","MoKα","","0.0784","0.0515","","","0.1336","0.1591","","","","","","1.059","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209511","18.981","0.0006","7.5355","0.0003","24.6569","0.0007","90","","105.108","0.002","90","","3404.8","0.2","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","(E)-1-(4-(benzyloxy)phenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one","","- C22 H18 O3 -","- C22 H18 O3 -","- C176 H144 O24 -","8","1","","Ramkumar, V.; Anandhi, S.; Kannan, P.; Gopalakrishnan, R.","Synthesis, single crystal growth, characterization and comparison of two new enone shifted chalcones and their NLO behaviour","CrystEngComm","2013","15","13","2438","","10.1039/c2ce26185e","","","0.71073","MoKα","","0.0537","0.037","","","0.106","0.1209","","","","","","1.029","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209512","6.3071","0.001","8.0751","0.0014","8.5714","0.0011","104.521","0.013","94.539","0.01","102.964","0.011","407.57","0.12","295","2","295","2","","","","","","","","5","P -1","-P 1","2","trans-Bis(2,5-dibromopyridine)dibromocopper(ii)","trans-Bis(2,5-dibromopyridine)dibromocopper(II)","","- C10 H6 Br6 Cu N2 -","- C10 H6 Br6 Cu N2 -","- C10 H6 Br6 Cu N2 -","1","0.5","","Awwadi, Firas F.; Haddad, Salim F.; Turnbull, Mark M.; Landee, Christopher P.; Willett, Roger D.","Copper‒halide bonds as magnetic tunnels; structural, magnetic and theoretical studies of trans-bis(2,5-dibromopyridine)dihalo copper(ii) and trans-bis(2-bromopyridine)dibromo copper(ii)","CrystEngComm","2013","15","16","3111","","10.1039/c2ce26211h","","","0.71073","MoKα","","0.0511","0.0412","","","0.11","0.1172","","","","","","1.026","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209513","8.3173","0.0013","12.847","0.002","14.61","0.003","90","","90.868","0.008","90","","1560.9","0.5","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","trans-Bis(2,5-dibromopyridine)dichlorocopper(ii)","trans-Bis(2,5-dibromopyridine)dichlorocopper(II)","","- C10 H6 Br4 Cl2 Cu N2 -","- C10 H6 Br4 Cl2 Cu N2 -","- C40 H24 Br16 Cl8 Cu4 N8 -","4","0.5","","Awwadi, Firas F.; Haddad, Salim F.; Turnbull, Mark M.; Landee, Christopher P.; Willett, Roger D.","Copper‒halide bonds as magnetic tunnels; structural, magnetic and theoretical studies of trans-bis(2,5-dibromopyridine)dihalo copper(ii) and trans-bis(2-bromopyridine)dibromo copper(ii)","CrystEngComm","2013","15","16","3111","","10.1039/c2ce26211h","","","0.71073","MoKα","","0.0672","0.0516","","","0.1313","0.1429","","","","","","1.02","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209514","10.457","0.0001","19.097","0.0002","17.707","0.0002","90","","91.212","0.001","90","","3535.25","0.06","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Compound X","","","- C28 H28 Co1.5 N12 O10 W -","- C28 H28 Co1.5 N12 O10 W -","- C112 H112 Co6 N48 O40 W4 -","4","1","","Chorazy, Szymon; Podgajny, Robert; Majcher, Anna M.; Nitek, Wojciech; Rams, Michał; Suturina, Elizaveta A.; Ungur, Liviu; Chibotaru, Liviu F.; Sieklucka, Barbara","Magnetic anisotropy of CoII‒WV ferromagnet: single crystal and ab initio study","CrystEngComm","2013","15","13","2378","","10.1039/c2ce26387d","","","0.71073","MoKα","","0.0376","0.028","","","0.0718","0.0751","","","","69.706","69.706","1.038","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209515","5.3318","0.0005","9.5162","0.0009","12.7812","0.0013","90","","96.49","0.01","90","","644.34","0.11","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H7 Li O5 -","- C4 H7 Li O5 -","- C16 H28 Li4 O20 -","4","1","","Bonnard, Gaëtan; Barrès, Anne-Lise; Mentré, Olivier; Allis, Damian G.; Gatti, Carlo; Poizot, Philippe; Frayret, Christine","The low/room-temperature forms of the lithiated salt of 3,6-dihydroxy-2,5-dimethoxy-p-benzoquinone: a combined experimental and dispersion-corrected density functional study","CrystEngComm","2013","15","15","2809","","10.1039/c2ce26523k","","","0.71073","MoKα","","0.0422","0.0316","","","0.0266","0.0321","","","","1.07","1.07","1.11","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209516","10.561","0.0008","9.4941","0.0007","13.2344","0.0008","90","","107.394","0.003","90","","1266.3","0.16","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H14 Li2 O10 -","- C8 H14 Li2 O10 -","- C32 H56 Li8 O40 -","4","1","","Bonnard, Gaëtan; Barrès, Anne-Lise; Mentré, Olivier; Allis, Damian G.; Gatti, Carlo; Poizot, Philippe; Frayret, Christine","The low/room-temperature forms of the lithiated salt of 3,6-dihydroxy-2,5-dimethoxy-p-benzoquinone: a combined experimental and dispersion-corrected density functional study","CrystEngComm","2013","15","15","2809","","10.1039/c2ce26523k","","","0.71073","MoKα","","0.0501","0.0327","","","0.0488","0.0538","","","","1.25","1.25","1.15","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209517","8.7716","0.0003","16.9903","0.0006","20.5716","0.0007","104.794","0.002","102.209","0.002","92.243","0.002","2883.05","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H32 Cu2 O14 S12 Se12 -","- C38 H24 Cu2 O15 S12 Se12 -","- C76 H48 Cu4 O30 S24 Se24 -","2","1","","Zhang, Bin; Zhang, Yan; Wang, Zheming; Gao, Song; Guo, Yanjun; Liu, Fen; Zhu, Daoben","BETS3[Cu2(C2O4)3](CH3OH)2: an organic‒inorganic hybrid antiferromagnetic metal (BETS = bisethylene(tetraselenfulvalene))","CrystEngComm","2013","15","18","3529","","10.1039/c2ce26552d","","","0.71073","MoKα","","0.1752","0.0604","","","0.1523","0.191","","","","","","0.898","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209518","6.819","0.005","10.781","0.005","14.252","0.005","72.89","0.005","80.394","0.005","74.456","0.005","960.3","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H10 Cl5 N3 O5 U -","- C10 H10 Cl5 N3 O5 U -","- C20 H20 Cl10 N6 O10 U2 -","2","1","","Andrews, Michael B.; Cahill, Christopher L.","Metal‒organic hybrids involving the [UO2Cl3(NO3)]2− tecton and the role of halogen polarizability","CrystEngComm","2013","15","16","3082","","10.1039/c2ce26561c","","","0.71073","MoKα","","0.0631","0.0552","","","0.1567","0.1679","","","","","","1.04","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209519","9.739","0.005","16.484","0.005","12.95","0.005","90","0.005","102.36","0.005","90","0.005","2030.8","1.4","293","2","293","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C10 H10 Br2 Cl3 N3 O5 U -","- C10 H10 Br2 Cl3 N3 O5 U -","- C40 H40 Br8 Cl12 N12 O20 U4 -","4","1","","Andrews, Michael B.; Cahill, Christopher L.","Metal‒organic hybrids involving the [UO2Cl3(NO3)]2− tecton and the role of halogen polarizability","CrystEngComm","2013","15","16","3082","","10.1039/c2ce26561c","","","0.71073","MoKα","","0.0838","0.0463","","","0.1076","0.1396","","","","","","1.055","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209520","7.9797","0.0005","25.0428","0.0017","14.7303","0.001","90","","103.019","0.002","90","","2868","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 Cl3 I3 N5 O8 U -","- C15 H15 Cl3 I3 N5 O8 U -","- C60 H60 Cl12 I12 N20 O32 U4 -","4","1","","Andrews, Michael B.; Cahill, Christopher L.","Metal‒organic hybrids involving the [UO2Cl3(NO3)]2− tecton and the role of halogen polarizability","CrystEngComm","2013","15","16","3082","","10.1039/c2ce26561c","","","0.71073","MoKα","","0.0778","0.0543","","","0.1333","0.1476","","","","","","1.049","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7209521","15.893","0.002","26.122","0.004","25.301","0.003","90","","94.641","0.002","90","","10469","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C158 H65 Br3 N8 -","- C158 H65 Br3 N8 -","- C632 H260 Br12 N32 -","4","1","","Shimizu, Soji; Miura, Akito; Kobayashi, Nagao","Highly deformed phthalocyanine as a suitable scaffold for pristine fullerenes","CrystEngComm","2013","15","19","3759","","10.1039/c2ce26618k","","","0.71073","MoKα","","0.0621","0.0482","","","0.1159","0.1227","","","","","","1.033","","","","has coordinates,has disorder","180426","2020-10-21","18:00:00",""
"7209522","15.5528","0.0007","26.013","0.0012","27.1199","0.0012","90","","93.28","0.002","90","","10954.1","0.9","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C172.5 H71.5 Br3.5 N8 O1.5 -","- C172.5 H71.5 Br3.5 N8 O1.5 -","- C690 H286 Br14 N32 O6 -","4","1","","Shimizu, Soji; Miura, Akito; Kobayashi, Nagao","Highly deformed phthalocyanine as a suitable scaffold for pristine fullerenes","CrystEngComm","2013","15","19","3759","","10.1039/c2ce26618k","","","1.54178","CuKα","","0.0549","0.0534","","","0.1294","0.1305","","","","","","1.035","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7209523","8.9378","0.0018","15.708","0.003","8.9066","0.0018","90","","100.67","0.03","90","","1228.8","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 Dy O10 -","- C10 H9 Dy O10 -","- C40 H36 Dy4 O40 -","4","1","","Zhao, Xiao-Qing; Liu, Xu-Hui; Li, Ji-Jing; Zhao, Bin","Syntheses, structures, photoluminescence and magnetic properties of four-connected lanthanide‒tricarboxylate coordination polymers","CrystEngComm","2013","15","17","3308","","10.1039/c2ce26695d","","","0.71073","MoKα","","0.068","0.0441","","","0.0799","0.0858","","","","","","1.148","","","","has coordinates,has disorder","180426","2020-10-21","18:00:00",""
"7209524","8.9007","0.0018","15.592","0.003","8.8728","0.0018","90","","100.63","0.03","90","","1210.2","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 Er O10 -","- C10 H9 Er O10 -","- C40 H36 Er4 O40 -","4","1","","Zhao, Xiao-Qing; Liu, Xu-Hui; Li, Ji-Jing; Zhao, Bin","Syntheses, structures, photoluminescence and magnetic properties of four-connected lanthanide‒tricarboxylate coordination polymers","CrystEngComm","2013","15","17","3308","","10.1039/c2ce26695d","","","0.71073","MoKα","","0.0783","0.0503","","","0.0819","0.0882","","","","","","1.191","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209525","8.96312","0.00018","15.7701","0.0003","8.95189","0.00018","90","","100.376","0.002","90","","1244.65","0.04","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 Eu O10 -","- C10 H9 Eu O10 -","- C40 H36 Eu4 O40 -","4","1","","Zhao, Xiao-Qing; Liu, Xu-Hui; Li, Ji-Jing; Zhao, Bin","Syntheses, structures, photoluminescence and magnetic properties of four-connected lanthanide‒tricarboxylate coordination polymers","CrystEngComm","2013","15","17","3308","","10.1039/c2ce26695d","","","0.71073","MoKα","","0.0271","0.021","","","0.0452","0.0467","","","","","","1.037","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209526","8.9811","0.0003","15.7995","0.0006","8.9343","0.0003","90","","100.505","0.003","90","","1246.5","0.08","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 Gd O10 -","- C10 H9 Gd O10 -","- C40 H36 Gd4 O40 -","4","1","","Zhao, Xiao-Qing; Liu, Xu-Hui; Li, Ji-Jing; Zhao, Bin","Syntheses, structures, photoluminescence and magnetic properties of four-connected lanthanide‒tricarboxylate coordination polymers","CrystEngComm","2013","15","17","3308","","10.1039/c2ce26695d","","","0.71073","MoKα","","0.0319","0.0243","","","0.0518","0.0569","","","","","","1.072","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209527","8.93845","0.00013","15.6658","0.0002","8.88816","0.00016","90","","100.648","0.0015","90","","1223.16","0.03","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 Ho O10 -","- C10 H9 Ho O10 -","- C40 H36 Ho4 O40 -","4","1","","Zhao, Xiao-Qing; Liu, Xu-Hui; Li, Ji-Jing; Zhao, Bin","Syntheses, structures, photoluminescence and magnetic properties of four-connected lanthanide‒tricarboxylate coordination polymers","CrystEngComm","2013","15","17","3308","","10.1039/c2ce26695d","","","0.71073","MoKα","","0.0235","0.0203","","","0.0445","0.0461","","","","","","1.11","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209528","8.9151","0.0018","15.521","0.003","8.8732","0.0018","90","","100.58","0.03","90","","1206.9","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 Lu O10 -","- C10 H9 Lu O10 -","- C40 H36 Lu4 O40 -","4","1","","Zhao, Xiao-Qing; Liu, Xu-Hui; Li, Ji-Jing; Zhao, Bin","Syntheses, structures, photoluminescence and magnetic properties of four-connected lanthanide‒tricarboxylate coordination polymers","CrystEngComm","2013","15","17","3308","","10.1039/c2ce26695d","","","0.71073","MoKα","","0.0629","0.0434","","","0.0671","0.071","","","","","","1.236","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209529","19.808","0.004","9.989","0.002","6.9059","0.0014","90","","106.03","0.03","90","","1313.3","0.5","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C10 H11 Nd O10 -","- C10 H9 Nd O10 -","- C40 H36 Nd4 O40 -","4","1","","Zhao, Xiao-Qing; Liu, Xu-Hui; Li, Ji-Jing; Zhao, Bin","Syntheses, structures, photoluminescence and magnetic properties of four-connected lanthanide‒tricarboxylate coordination polymers","CrystEngComm","2013","15","17","3308","","10.1039/c2ce26695d","","","0.71073","MoKα","","0.0215","0.0204","","","0.048","0.0484","","","","","","1.034","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209530","19.115","0.004","9.674","0.0019","6.6627","0.0013","90","","106.72","0.03","90","","1180","0.4","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C10 H11 O10 Pr -","- C10 H9 O10 Pr -","- C40 H36 O40 Pr4 -","4","1","","Zhao, Xiao-Qing; Liu, Xu-Hui; Li, Ji-Jing; Zhao, Bin","Syntheses, structures, photoluminescence and magnetic properties of four-connected lanthanide‒tricarboxylate coordination polymers","CrystEngComm","2013","15","17","3308","","10.1039/c2ce26695d","","","0.71073","MoKα","","0.0449","0.0447","","","0.1093","0.1097","","","","","","1.055","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209531","8.92","0.0018","15.66","0.003","8.95","0.0018","90","","100.58","0.03","90","","1228.9","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 O10 Tb -","- C10 H5 O10 Tb -","- C40 H20 O40 Tb4 -","4","1","","Zhao, Xiao-Qing; Liu, Xu-Hui; Li, Ji-Jing; Zhao, Bin","Syntheses, structures, photoluminescence and magnetic properties of four-connected lanthanide‒tricarboxylate coordination polymers","CrystEngComm","2013","15","17","3308","","10.1039/c2ce26695d","","","0.71073","MoKα","","0.0703","0.0495","","","0.077","0.0821","","","","","","1.235","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209532","8.8839","0.0005","15.4942","0.0011","8.8941","0.0006","90","","100.575","0.006","90","","1203.47","0.14","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 O10 Yb -","- C10 H9 O10 Yb -","- C40 H36 O40 Yb4 -","4","1","","Zhao, Xiao-Qing; Liu, Xu-Hui; Li, Ji-Jing; Zhao, Bin","Syntheses, structures, photoluminescence and magnetic properties of four-connected lanthanide‒tricarboxylate coordination polymers","CrystEngComm","2013","15","17","3308","","10.1039/c2ce26695d","","","0.71073","MoKα","","0.0372","0.0266","","","0.0679","0.0702","","","","","","1.057","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209533","27.6","0.004","27.6","0.004","26.7","0.005","90","","90","","90","","20339","6","293","2","293","2","","","","","","","","7","I 41 2 2","I 4bw 2bw","98","","","","- C78 H76 Cl Cu5 N20 O38.5 V16 -","- C78 H66 Cl Cu5 N20 O38.5 V16 -","- C624 H528 Cl8 Cu40 N160 O308 V128 -","8","0.5","","Teng, Yun-lei; Dong, Bao-xia; Peng, Jun; Zhang, Shi-yang; Chen, Lu; Song, Liang; Ge, Jun","Spontaneous resolution of 3D chiral hexadecavanadate-based frameworks incorporating achiral flexible and rigid ligands","CrystEngComm","2013","15","15","2783","","10.1039/c2ce26719e","","","0.71073","MoKα","","0.1116","0.0748","","","0.1861","0.2084","","","","","","1.041","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209534","27.672","0.004","27.672","0.004","26.693","0.005","90","","90","","90","","20440","6","293","2","293","2","","","","","","","","7","I 41 2 2","I 4bw 2bw","98","","","","- C78 H76 Cl Cu5 N20 O38.5 V16 -","- C78 H70 Cl Cu5 N20 O38.5 V16 -","- C624 H560 Cl8 Cu40 N160 O308 V128 -","8","0.5","","Teng, Yun-lei; Dong, Bao-xia; Peng, Jun; Zhang, Shi-yang; Chen, Lu; Song, Liang; Ge, Jun","Spontaneous resolution of 3D chiral hexadecavanadate-based frameworks incorporating achiral flexible and rigid ligands","CrystEngComm","2013","15","15","2783","","10.1039/c2ce26719e","","","0.71073","MoKα","","0.1204","0.062","","","0.1471","0.1721","","","","","","0.926","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209535","20.059","0.0006","20.059","0.0006","7.1686","0.0004","90","","90","","120","","2497.95","0.17","293","2","293","2","","","","","","","","8","P 63/m c m","-P 6c 2","193","(DIP)3(PF6)0.62(EtOH)0.66","","","- C25.32 H9.96 F3.72 I6 N6 O0.66 P0.62 S12 -","- C24 H6 F3 I6 N6 O6 P0.5 S12 -","- C48 H12 F6 I12 N12 O12 P S24 -","2","0.0833333","","Imakubo, Tatsuro; Murayama, Ryosuke","Solvent dependence of crystal morphology, donor/anion ratio and electrical conductivity in a series of hexagonal supramolecular organic conductors based on diiodo(pyrazino)tetrathiafulvalene (DIP)","CrystEngComm","2013","15","16","3072","","10.1039/c2ce26739j","","","0.71073","MoKα","","0.045","0.0424","","","0.1435","0.1458","","","","","","1.225","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209536","20.046","0.0008","20.046","0.0008","7.1715","0.0005","90","","90","","120","","2495.7","0.2","293","2","293","2","","","","","","","","8","P 63/m c m","-P 6c 2","193","(DIP)3(PF6)0.70(1-PrOH)0.65","","","- C25.95 H11.2 F4.2 I6 N6 O0.65 P0.7 S12 -","- C37 H6 F3 I6 N6 O2.04 P0.5 S12 -","- C74 H12 F6 I12 N12 O4.08 P S24 -","2","0.0833333","","Imakubo, Tatsuro; Murayama, Ryosuke","Solvent dependence of crystal morphology, donor/anion ratio and electrical conductivity in a series of hexagonal supramolecular organic conductors based on diiodo(pyrazino)tetrathiafulvalene (DIP)","CrystEngComm","2013","15","16","3072","","10.1039/c2ce26739j","","","0.71073","MoKα","","0.0734","0.0729","","","0.1597","0.1599","","","","","","1.489","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209537","20.0545","0.0008","20.0545","0.0008","7.1733","0.0005","90","","90","","120","","2498.5","0.2","293","2","293","2","","","","","","","","8","P 63/m c m","-P 6c 2","193","(DIP)3(PF6)0.63(2-PrOH)0.92","","","- C26.76 H13.36 F3.78 I6 N6 O0.92 P0.63 S12 -","- C38.98 H6 F3 I6 N6 P0.5 S12 -","- C77.96 H12 F6 I12 N12 P S24 -","2","0.0833333","","Imakubo, Tatsuro; Murayama, Ryosuke","Solvent dependence of crystal morphology, donor/anion ratio and electrical conductivity in a series of hexagonal supramolecular organic conductors based on diiodo(pyrazino)tetrathiafulvalene (DIP)","CrystEngComm","2013","15","16","3072","","10.1039/c2ce26739j","","","0.71073","MoKα","","0.0495","0.0487","","","0.1103","0.1123","","","","","","1.287","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209538","20.0989","0.0009","20.0989","0.0009","7.2043","0.0006","90","","90","","120","","2520.4","0.3","293","2","293","2","","","","","","","","8","P 63/m c m","-P 6c 2","193","(DIP)3(PF6)0.51(Acetone)1.97","","","- C29.91 H17.82 F3.06 I6 N6 O1.97 P0.51 S12 -","- C30.02 H17.88 F3 I6 N6 O1.98 P0.5 S12 -","- C60.04 H35.76 F6 I12 N12 O3.96 P S24 -","2","0.0833333","","Imakubo, Tatsuro; Murayama, Ryosuke","Solvent dependence of crystal morphology, donor/anion ratio and electrical conductivity in a series of hexagonal supramolecular organic conductors based on diiodo(pyrazino)tetrathiafulvalene (DIP)","CrystEngComm","2013","15","16","3072","","10.1039/c2ce26739j","","","0.71073","MoKα","","0.0582","0.0577","","","0.1198","0.1199","","","","","","1.539","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209539","20.0593","0.0013","20.0593","0.0013","7.1695","0.0009","90","","90","","120","","2498.3","0.4","293","2","293","2","","","","","","","","8","P 63/m c m","-P 6c 2","193","(DIP)3(PF6)0.62(AcOEt)0.49","","","- C25.96 H9.92 F3.72 I6 N6 O0.98 P0.62 S12 -","- C36.96 H6 F3 I6 N6 P0.5 S12 -","- C73.92 H12 F6 I12 N12 P S24 -","2","0.0833333","","Imakubo, Tatsuro; Murayama, Ryosuke","Solvent dependence of crystal morphology, donor/anion ratio and electrical conductivity in a series of hexagonal supramolecular organic conductors based on diiodo(pyrazino)tetrathiafulvalene (DIP)","CrystEngComm","2013","15","16","3072","","10.1039/c2ce26739j","","","0.71073","MoKα","","0.0526","0.0503","","","0.1187","0.1198","","","","","","1.469","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209540","4.902","0.0003","21.4561","0.0012","12.1298","0.0007","90","","100.151","0.002","90","","1255.82","0.13","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","3,3'-AzoPy 1-HB-XB (3-pyridyl)-N=N-(3-pyridyl), (4-I-F4- PhCOOH)2","3,3'-AzoPy 1-HB-XB (3-pyridyl)-N=N-(3-pyridyl), (4-I-F4-PhCOOH)2","","- C24 H10 F8 I2 N4 O4 -","- C24 H10 F8 I2 N4 O4 -","- C48 H20 F16 I4 N8 O8 -","2","0.5","","Aakeröy, Christer B.; Panikkattu, Sheelu; Chopade, Prashant D.; Desper, John","Competing hydrogen-bond and halogen-bond donors in crystal engineering","CrystEngComm","2013","15","16","3125","","10.1039/c2ce26747k","","","0.71073","MoKα","","0.0239","0.0207","","","0.0492","0.0508","","","","","","1.068","","","","has coordinates,has disorder","180426","2020-10-21","18:00:00",""
"7209541","4.8724","0.0003","22.0007","0.0013","11.6936","0.0007","90","","101.336","0.003","90","","1229.06","0.13","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","3,3'-AzoPy 2-HBXB (3-pyridyl)-N=N-(3-pyridyl), (4-Br-F4- PhCOOH)2","3,3'-AzoPy 2-HBXB (3-pyridyl)-N=N-(3-pyridyl), (4-Br-F4-PhCOOH)2","","- C24 H10 Br2 F8 N4 O4 -","- C24 H10 Br2 F8 N4 O4 -","- C48 H20 Br4 F16 N8 O8 -","2","0.5","","Aakeröy, Christer B.; Panikkattu, Sheelu; Chopade, Prashant D.; Desper, John","Competing hydrogen-bond and halogen-bond donors in crystal engineering","CrystEngComm","2013","15","16","3125","","10.1039/c2ce26747k","","","1.54178","CuKα","","0.0275","0.0261","","","0.0679","0.0688","","","","","","1.084","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209542","19.0228","0.0011","16.8636","0.001","7.2425","0.0004","90","","93.198","0.002","90","","2319.7","0.2","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","3,3'-AzoPy-3HBXB (3-pyridyl)-N=N-(3-pyridyl), (4-I-F4-PhOH)2","3,3'-AzoPy-3HBXB (3-pyridyl)-N=N-(3-pyridyl), (4-I-F4-PhOH)2","","- C22 H10 F8 I2 N4 O2 -","- C22 H10 F8 I2 N4 O2 -","- C88 H40 F32 I8 N16 O8 -","4","0.5","","Aakeröy, Christer B.; Panikkattu, Sheelu; Chopade, Prashant D.; Desper, John","Competing hydrogen-bond and halogen-bond donors in crystal engineering","CrystEngComm","2013","15","16","3125","","10.1039/c2ce26747k","","","0.71073","MoKα","","0.0196","0.0176","","","0.045","0.0463","","","","","","1.021","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209543","18.2149","0.0008","16.4379","0.0007","7.4736","0.0004","90","","99.631","0.002","90","","2206.17","0.18","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","3,3'-AzoPy 4-HBXB, (3-pyridyl)-N=N-(3-pyridyl), (4-Br-F4- PhOH)2","3,3'-AzoPy 4-HBXB, (3-pyridyl)-N=N-(3-pyridyl), (4-Br-F4-PhOH)2","","- C22 H10 Br2 F8 N4 O2 -","- C22 H10 Br2 F8 N4 O2 -","- C88 H40 Br8 F32 N16 O8 -","4","1","","Aakeröy, Christer B.; Panikkattu, Sheelu; Chopade, Prashant D.; Desper, John","Competing hydrogen-bond and halogen-bond donors in crystal engineering","CrystEngComm","2013","15","16","3125","","10.1039/c2ce26747k","","","0.71073","MoKα","","0.0375","0.0265","","","0.0656","0.0699","","","","","","0.998","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209544","5.6341","0.0004","10.4834","0.0007","11.5197","0.0008","75.365","0.002","77.562","0.002","80.975","0.002","639.09","0.08","120","2","120","2","","","","","","","","6","P -1","-P 1","2","3,3'-AzoPy 8-HBXB (3-pyridyl)-N=N-(3-pyridyl), (4-I-F4- PhCH=NOH)2","3,3'-AzoPy 8-HBXB (3-pyridyl)-N=N-(3-pyridyl), (4-I-F4-PhCH=NOH)2","","- C24 H12 F8 I2 N6 O2 -","- C24 H12 F8 I2 N6 O2 -","- C24 H12 F8 I2 N6 O2 -","1","0.5","","Aakeröy, Christer B.; Panikkattu, Sheelu; Chopade, Prashant D.; Desper, John","Competing hydrogen-bond and halogen-bond donors in crystal engineering","CrystEngComm","2013","15","16","3125","","10.1039/c2ce26747k","","","0.71073","MoKα","","0.0194","0.0186","","","0.0439","0.0444","","","","","","1.085","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209545","8.35","0.0008","8.3646","0.0008","9.8996","0.001","105.765","0.003","103.151","0.003","99.733","0.003","628","0.11","120","2","120","2","","","","","","","","6","P -1","-P 1","2","3,3'-AzoPy 5-HBXB (3-pyridyl)-N=N-(3-pyridyl), (4-Br-F4-PhCHO oxime)2","3,3'-AzoPy 5-HBXB (3-pyridyl)-N=N-(3-pyridyl), (4-Br-F4-PhCHO oxime)2","","- C24 H12 Br2 F8 N6 O2 -","- C24 H12 Br2 F8 N6 O2 -","- C24 H12 Br2 F8 N6 O2 -","1","0.5","","Aakeröy, Christer B.; Panikkattu, Sheelu; Chopade, Prashant D.; Desper, John","Competing hydrogen-bond and halogen-bond donors in crystal engineering","CrystEngComm","2013","15","16","3125","","10.1039/c2ce26747k","","","0.71073","MoKα","","0.0597","0.048","","","0.1208","0.1288","","","","","","1.052","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209546","6.2112","0.0008","8.1879","0.0011","8.9824","0.0012","84.843","0.003","70.837","0.003","77.402","0.003","421.03","0.1","120","2","120","2","","","","","","","","6","P 1","P 1","1","4,4'-AzoPy 1-HB-XB (4-pyridyl)-N=N-(4-pyridyl), (4-I-F4- PhCOOH)","4,4'-AzoPy 1-HB-XB (4-pyridyl)-N=N-(4-pyridyl), (4-I-F4-PhCOOH)","","- C17 H9 F4 I N4 O2 -","- C17 H9 F4 I N4 O2 -","- C17 H9 F4 I N4 O2 -","1","1","","Aakeröy, Christer B.; Panikkattu, Sheelu; Chopade, Prashant D.; Desper, John","Competing hydrogen-bond and halogen-bond donors in crystal engineering","CrystEngComm","2013","15","16","3125","","10.1039/c2ce26747k","","","0.71073","MoKα","","0.0489","0.0433","","","0.1123","0.1149","","","","","","1.065","","","","has coordinates,has disorder","180426","2020-10-21","18:00:00",""
"7209547","10.1601","0.0006","13.4584","0.0008","14.4512","0.001","112.181","0.004","90.56","0.004","111.547","0.004","1676.5","0.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H9 Br F4 N4 O2 -","- C17 H9 Br F4 N4 O2 -","- C68 H36 Br4 F16 N16 O8 -","4","2","","Aakeröy, Christer B.; Panikkattu, Sheelu; Chopade, Prashant D.; Desper, John","Competing hydrogen-bond and halogen-bond donors in crystal engineering","CrystEngComm","2013","15","16","3125","","10.1039/c2ce26747k","","","1.54178","CuKα","","0.1012","0.0886","","","0.227","0.2362","","","","","","1.078","","","","has coordinates,has disorder","180426","2020-10-21","18:00:00",""
"7209548","6.1515","0.0005","9.8197","0.0007","13.7443","0.001","81.558","0.003","85.932","0.003","78.342","0.003","803.57","0.11","120","2","120","2","","","","","","","","6","P -1","-P 1","2","4,4'-AzoPy 3-HBXB (4-pyridyl)-N=N-(4-pyridyl), 4-I-F4-PhOH","4,4'-AzoPy 3-HBXB (4-pyridyl)-N=N-(4-pyridyl), 4-I-F4-PhOH","","- C16 H9 F4 I N4 O -","- C16 H9 F4 I N4 O -","- C32 H18 F8 I2 N8 O2 -","2","1","","Aakeröy, Christer B.; Panikkattu, Sheelu; Chopade, Prashant D.; Desper, John","Competing hydrogen-bond and halogen-bond donors in crystal engineering","CrystEngComm","2013","15","16","3125","","10.1039/c2ce26747k","","","1.54178","CuKα","","0.0293","0.0275","","","0.0746","0.0756","","","","","","1.082","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209549","6.3706","0.0003","9.567","0.0005","13.3289","0.0007","79.453","0.002","83.09","0.002","79.476","0.001","782.03","0.07","120","2","120","2","","","","","","","","6","P -1","-P 1","2","4,4'-AzoPy 4-HBXB (4-pyridyl)-N=N-(4-pyridyl), 4-Br-F4-PhOH","4,4'-AzoPy 4-HBXB (4-pyridyl)-N=N-(4-pyridyl), 4-Br-F4-PhOH","","- C16 H9 Br F4 N4 O -","- C16 H9 Br F4 N4 O -","- C32 H18 Br2 F8 N8 O2 -","2","1","","Aakeröy, Christer B.; Panikkattu, Sheelu; Chopade, Prashant D.; Desper, John","Competing hydrogen-bond and halogen-bond donors in crystal engineering","CrystEngComm","2013","15","16","3125","","10.1039/c2ce26747k","","","0.71073","MoKα","","0.0311","0.0269","","","0.0699","0.072","","","","","","1.037","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209550","17.6282","0.0007","6.3167","0.0003","31.7318","0.0014","90","","96.518","0.002","90","","3510.6","0.3","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","4,4'-AzoPy 8HBXB (4-pyridyl)-N=N-(4-pyridyl), 4-I-F4-PhCHO oxime","4,4'-AzoPy 8HBXB (4-pyridyl)-N=N-(4-pyridyl), 4-I-F4-PhCHO oxime","","- C17 H10 F4 I N5 O -","- C17 H10 F4 I N5 O -","- C136 H80 F32 I8 N40 O8 -","8","1","","Aakeröy, Christer B.; Panikkattu, Sheelu; Chopade, Prashant D.; Desper, John","Competing hydrogen-bond and halogen-bond donors in crystal engineering","CrystEngComm","2013","15","16","3125","","10.1039/c2ce26747k","","","0.71073","MoKα","","0.0303","0.0239","","","0.0548","0.0575","","","","","","1.04","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209551","10.2846","0.001","4.6215","0.0005","27.841","0.002","90","","98.246","0.006","90","","1309.6","0.2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","4,4'AzoPy 5-HBXB (4-pyridyl)-N=N-(4-pyridyl), (4-Br-F4-PhCHO oxime)2","4,4'AzoPy 5-HBXB (4-pyridyl)-N=N-(4-pyridyl), (4-Br-F4-PhCHO oxime)2","","- C24 H12 Br2 F8 N6 O2 -","- C24 H12 Br2 F8 N6 O2 -","- C48 H24 Br4 F16 N12 O4 -","2","0.5","","Aakeröy, Christer B.; Panikkattu, Sheelu; Chopade, Prashant D.; Desper, John","Competing hydrogen-bond and halogen-bond donors in crystal engineering","CrystEngComm","2013","15","16","3125","","10.1039/c2ce26747k","","","1.54178","CuKα","","0.0763","0.0595","","","0.1457","0.1586","","","","","","1.099","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209552","11.826","0.0005","5.0779","0.0002","14.4717","0.0006","90","","113.431","0.002","90","","797.38","0.06","123","1","123","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 F8 I2 -","- C16 F8 I2 -","- C32 F16 I4 -","2","0.5","","Walter, Sebastian M.; Sarwar, Mohammed G.; Chudzinski, Michael G.; Herdtweck, Eberhardt; Lough, Alan J.; Huber, Stefan M.; Taylor, Mark S.","Halogen bonding and π‒π interactions in the solid-state structure of a butadiynylene-linked bis(iodoperfluoroarene)","CrystEngComm","2013","15","16","3097","","10.1039/c2ce26751a","","","0.71073","MoKα","","0.0233","0.0223","","","0.0545","0.055","","","","","","1.087","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209553","13.7911","0.0004","30.7832","0.001","8.3658","0.0001","90","","96.292","0.0019","90","","3530.17","0.16","150","1","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C32 H36 F8 I3 N -","- C32 H36 F8 I3 N -","- C128 H144 F32 I12 N4 -","4","1","","Walter, Sebastian M.; Sarwar, Mohammed G.; Chudzinski, Michael G.; Herdtweck, Eberhardt; Lough, Alan J.; Huber, Stefan M.; Taylor, Mark S.","Halogen bonding and π‒π interactions in the solid-state structure of a butadiynylene-linked bis(iodoperfluoroarene)","CrystEngComm","2013","15","16","3097","","10.1039/c2ce26751a","","","0.71073","MoKα","","0.0553","0.0433","","","0.0965","0.106","","","","","","1.069","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209554","14.347","0.0007","6.471","0.0003","76.54","0.003","90","","92.998","0.004","90","","7096.2","0.6","297","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H6 I2 N Ni2 S20 -","- C18 H6 I2 N Ni2 S20 -","- C144 H48 I16 N8 Ni16 S160 -","8","1","","Kosaka, Yosuke; Yamamoto, Hiroshi M.; Tajima, Akiko; Nakao, Akiko; Cui, Hengbo; Kato, Reizo","Supramolecular Ni(dmit)2 salts with halopyridinium cations -development of multifunctional molecular conductors with the use of competing supramolecular interactions","CrystEngComm","2013","15","16","3200","","10.1039/c2ce26841h","","","0.7107","MoKα","","","0.0635","","","","0.1857","","","","","","1.048","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209555","7.632","0.005","11.716","0.007","20.19","0.01","98.87","0.01","93.4","0.008","101.19","0.01","1742.4","1.8","295","","295","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H6 Br2 N Ni2 S20 -","- C18 H6 Br2 N Ni2 S20 -","- C36 H12 Br4 N2 Ni4 S40 -","2","1","","Kosaka, Yosuke; Yamamoto, Hiroshi M.; Tajima, Akiko; Nakao, Akiko; Cui, Hengbo; Kato, Reizo","Supramolecular Ni(dmit)2 salts with halopyridinium cations -development of multifunctional molecular conductors with the use of competing supramolecular interactions","CrystEngComm","2013","15","16","3200","","10.1039/c2ce26841h","","","0.7107","MoKα","","","0.0533","","","","0.1805","","","","","","1.06","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7209556","35.368","0.007","11.088","0.002","13.129","0.003","90","","103.317","0.003","90","","5010.2","1.8","295","","295","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H6 I2 N Ni3 S30 -","- C24 H6 I2 N Ni3 S30 -","- C96 H24 I8 N4 Ni12 S120 -","4","0.5","","Kosaka, Yosuke; Yamamoto, Hiroshi M.; Tajima, Akiko; Nakao, Akiko; Cui, Hengbo; Kato, Reizo","Supramolecular Ni(dmit)2 salts with halopyridinium cations -development of multifunctional molecular conductors with the use of competing supramolecular interactions","CrystEngComm","2013","15","16","3200","","10.1039/c2ce26841h","","","0.7107","MoKα","","","0.0389","","","","0.1034","","","","","","0.976","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7209557","14.218","0.004","6.436","0.001","76.15","0.02","90","","93.836","0.009","90","","6953","3","296.2","","296.2","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H6 Br I N Ni2 S20 -","- C18 H6 Br I N Ni2 S20 -","- C144 H48 Br8 I8 N8 Ni16 S160 -","8","1","","Kosaka, Yosuke; Yamamoto, Hiroshi M.; Tajima, Akiko; Nakao, Akiko; Cui, Hengbo; Kato, Reizo","Supramolecular Ni(dmit)2 salts with halopyridinium cations -development of multifunctional molecular conductors with the use of competing supramolecular interactions","CrystEngComm","2013","15","16","3200","","10.1039/c2ce26841h","","","0.7107","MoKα","","","0.0549","","","","0.1734","","","","","","1.121","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209558","7.427","0.002","11.68","0.003","21.199","0.007","81.935","0.01","96.406","0.011","99.938","0.011","1786.2","0.9","295","","295","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H6 I2 N Ni2 S20 -","- C18 H6 I2 N Ni2 S20 -","- C36 H12 I4 N2 Ni4 S40 -","2","1","","Kosaka, Yosuke; Yamamoto, Hiroshi M.; Tajima, Akiko; Nakao, Akiko; Cui, Hengbo; Kato, Reizo","Supramolecular Ni(dmit)2 salts with halopyridinium cations -development of multifunctional molecular conductors with the use of competing supramolecular interactions","CrystEngComm","2013","15","16","3200","","10.1039/c2ce26841h","","","0.7107","MoKα","","","0.0559","","","","0.1679","","","","","","1.005","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209559","11.4552","0.0013","10.586","0.002","18.08","0.003","90","","107.115","0.003","90","","2095.4","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 N3 O4 Zn -","- C22 H16 N3 O4 Zn -","- C88 H64 N12 O16 Zn4 -","4","1","","Liu, Hai-Yan; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","A series of Zn(ii) and Cd(ii) coordination polymers based on flexible bis-[(pyridyl)-benzimidazole] ligand and different carboxylates: syntheses, structures, and photoluminescent properties","CrystEngComm","2013","15","14","2699","","10.1039/c3ce00009e","","","0.71073","MoKα","","0.0733","0.0393","","","0.0998","0.1066","","","","","","0.897","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209560","11.5009","0.0014","10.475","0.002","18.115","0.003","90","","103.417","0.004","90","","2122.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 N4 O4 Zn -","- C22 H17 N4 O4 Zn -","- C88 H68 N16 O16 Zn4 -","4","1","","Liu, Hai-Yan; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","A series of Zn(ii) and Cd(ii) coordination polymers based on flexible bis-[(pyridyl)-benzimidazole] ligand and different carboxylates: syntheses, structures, and photoluminescent properties","CrystEngComm","2013","15","14","2699","","10.1039/c3ce00009e","","","0.71073","MoKα","","0.0738","0.0385","","","0.0801","0.0858","","","","","","0.824","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209561","15.1367","0.0016","9.579","0.002","18.531","0.003","90","","96.767","0.003","90","","2668.2","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H40 N6 O14 Zn3 -","- C52 H40 N6 O14 Zn3 -","- C104 H80 N12 O28 Zn6 -","2","0.5","","Liu, Hai-Yan; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","A series of Zn(ii) and Cd(ii) coordination polymers based on flexible bis-[(pyridyl)-benzimidazole] ligand and different carboxylates: syntheses, structures, and photoluminescent properties","CrystEngComm","2013","15","14","2699","","10.1039/c3ce00009e","","","0.71073","MoKα","","0.1197","0.0508","","","0.1044","0.1173","","","","","","0.818","","","","has coordinates,has disorder","180426","2020-10-21","18:00:00",""
"7209562","25.161","0.003","11.253","0.002","18.172","0.003","90","","90","0.004","90","","5145.2","1.4","293","2","293","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C46 H34 N6 O14 Zn3 -","- C46 H34 N6 O14 Zn3 -","- C184 H136 N24 O56 Zn12 -","4","0.5","","Liu, Hai-Yan; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","A series of Zn(ii) and Cd(ii) coordination polymers based on flexible bis-[(pyridyl)-benzimidazole] ligand and different carboxylates: syntheses, structures, and photoluminescent properties","CrystEngComm","2013","15","14","2699","","10.1039/c3ce00009e","","","0.71069","MoKα","","0.0951","0.045","","","0.1066","0.1151","","","","","","0.871","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209563","9.176","0.005","10.783","0.002","11.423","0.003","80.53","0.006","67.186","0.007","78.205","0.002","1015.3","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 Cd N3 O5 -","- C22 H18 Cd N3 O5 -","- C44 H36 Cd2 N6 O10 -","2","1","","Liu, Hai-Yan; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","A series of Zn(ii) and Cd(ii) coordination polymers based on flexible bis-[(pyridyl)-benzimidazole] ligand and different carboxylates: syntheses, structures, and photoluminescent properties","CrystEngComm","2013","15","14","2699","","10.1039/c3ce00009e","","","0.71069","MoKα","","0.0824","0.0389","","","0.0518","0.055","","","","","","0.773","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209564","8.424","0.002","9.959","0.006","11.898","0.005","90.723","0.004","105.561","0.008","101.282","0.005","940.8","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H16 Cd N3 O4 -","- C22 H16 Cd N3 O4 -","- C44 H32 Cd2 N6 O8 -","2","1","","Liu, Hai-Yan; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","A series of Zn(ii) and Cd(ii) coordination polymers based on flexible bis-[(pyridyl)-benzimidazole] ligand and different carboxylates: syntheses, structures, and photoluminescent properties","CrystEngComm","2013","15","14","2699","","10.1039/c3ce00009e","","","0.71073","MoKα","","0.0676","0.047","","","0.1172","0.1208","","","","","","1.088","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209565","8.38","0.0014","20.837","0.004","11.227","0.003","90","","101.346","0.005","90","","1922.1","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Cd N3 O4 -","- C22 H16 Cd N3 O4 -","- C88 H64 Cd4 N12 O16 -","4","1","","Liu, Hai-Yan; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","A series of Zn(ii) and Cd(ii) coordination polymers based on flexible bis-[(pyridyl)-benzimidazole] ligand and different carboxylates: syntheses, structures, and photoluminescent properties","CrystEngComm","2013","15","14","2699","","10.1039/c3ce00009e","","","0.71073","MoKα","","0.0749","0.0357","","","0.0634","0.0687","","","","","","0.872","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209566","10.393","0.002","23.046","0.006","28.526","0.005","90","","95.381","0.004","90","","6802","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C45 H30 Cd2 N6 O10 -","- C45 H28 Cd2 N6 O10 -","- C180 H112 Cd8 N24 O40 -","4","0.5","","Liu, Hai-Yan; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","A series of Zn(ii) and Cd(ii) coordination polymers based on flexible bis-[(pyridyl)-benzimidazole] ligand and different carboxylates: syntheses, structures, and photoluminescent properties","CrystEngComm","2013","15","14","2699","","10.1039/c3ce00009e","","","0.71069","MoKα","","0.1699","0.0741","","","0.1722","0.1906","","","","","","1.013","","","","has coordinates,has disorder","180426","2020-10-21","18:00:00",""
"7209567","24.935","0.003","14.5352","0.0015","17.7035","0.0019","90","","131.687","0.002","90","","4791.7","0.9","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C53 H44 Cl4 Co2 N12 O2 -","- C53 H44 Cl4 Co2 N12 O2 -","- C212 H176 Cl16 Co8 N48 O8 -","4","0.5","","Chen, Yanmei; Li, Lei; Cao, Yanyuan; Wu, Jian; Gao, Qian; Li, Yahong; Hu, Hailiang; Liu, Wei; Liu, Yonglu; Kang, Zhenhui; Li, Jingping","CuII-mediated controllable creation of tertiary and quaternary carbon centers: designed assembly and structures of a new class of copper complexes supported by in situ generated substituted 1-pyridineimidazo[1,5-a]pyridine ligands","CrystEngComm","2013","15","14","2675","","10.1039/c3ce00012e","","","0.71073","MoKα","","0.0709","0.0527","","","0.1319","0.1439","","","","","","1.027","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209568","12.4628","0.0018","10.8337","0.0015","20.597","0.003","90","","105.875","0.003","90","","2674.9","0.7","296","2","296","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C53 H44 Cl6 Cu4 N12 O2 -","- C53 H44 Cl6 Cu4 N12 O2 -","- C106 H88 Cl12 Cu8 N24 O4 -","2","0.5","","Chen, Yanmei; Li, Lei; Cao, Yanyuan; Wu, Jian; Gao, Qian; Li, Yahong; Hu, Hailiang; Liu, Wei; Liu, Yonglu; Kang, Zhenhui; Li, Jingping","CuII-mediated controllable creation of tertiary and quaternary carbon centers: designed assembly and structures of a new class of copper complexes supported by in situ generated substituted 1-pyridineimidazo[1,5-a]pyridine ligands","CrystEngComm","2013","15","14","2675","","10.1039/c3ce00012e","","","0.71073","MoKα","","0.1474","0.1288","","","0.2922","0.3017","","","","","","1.129","","","","has coordinates,has disorder","180426","2020-10-21","18:00:00",""
"7209569","10.271","0.004","17.067","0.006","12.28","0.005","90","","91.22","0.009","90","","2152.1","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H34 Cl2 Cu2 N12 -","- C50 H34 Cl2 Cu2 N12 -","- C100 H68 Cl4 Cu4 N24 -","2","0.5","","Chen, Yanmei; Li, Lei; Cao, Yanyuan; Wu, Jian; Gao, Qian; Li, Yahong; Hu, Hailiang; Liu, Wei; Liu, Yonglu; Kang, Zhenhui; Li, Jingping","CuII-mediated controllable creation of tertiary and quaternary carbon centers: designed assembly and structures of a new class of copper complexes supported by in situ generated substituted 1-pyridineimidazo[1,5-a]pyridine ligands","CrystEngComm","2013","15","14","2675","","10.1039/c3ce00012e","","","0.71073","MoKα","","0.1336","0.051","","","0.0973","0.1279","","","","","","0.941","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209570","7.8615","0.0006","10.7668","0.0008","14.0784","0.001","73.473","0.001","84.73","0.002","89.354","0.001","1137.44","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H18 Cl2 N6 Zn -","- C25 H18 Cl2 N6 Zn -","- C50 H36 Cl4 N12 Zn2 -","2","1","","Chen, Yanmei; Li, Lei; Cao, Yanyuan; Wu, Jian; Gao, Qian; Li, Yahong; Hu, Hailiang; Liu, Wei; Liu, Yonglu; Kang, Zhenhui; Li, Jingping","CuII-mediated controllable creation of tertiary and quaternary carbon centers: designed assembly and structures of a new class of copper complexes supported by in situ generated substituted 1-pyridineimidazo[1,5-a]pyridine ligands","CrystEngComm","2013","15","14","2675","","10.1039/c3ce00012e","","","0.71073","MoKα","","0.0385","0.0313","","","0.0895","0.1106","","","","","","1.105","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209571","12.8398","0.0018","5.1086","0.0007","15.192","0.002","90","","105.007","0.003","90","","962.5","0.2","296","2","296","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C25 H18 N6 -","- C25 H18 N6 -","- C50 H36 N12 -","2","0.5","","Chen, Yanmei; Li, Lei; Cao, Yanyuan; Wu, Jian; Gao, Qian; Li, Yahong; Hu, Hailiang; Liu, Wei; Liu, Yonglu; Kang, Zhenhui; Li, Jingping","CuII-mediated controllable creation of tertiary and quaternary carbon centers: designed assembly and structures of a new class of copper complexes supported by in situ generated substituted 1-pyridineimidazo[1,5-a]pyridine ligands","CrystEngComm","2013","15","14","2675","","10.1039/c3ce00012e","","","0.71073","MoKα","","0.0555","0.0401","","","0.1053","0.1149","","","","","","1.08","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209572","16.896","0.001","16.503","0.001","27.4254","0.0016","90","","101.07","0.001","90","","7504.9","0.8","291","2","291","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C78 H62 Cl6 Cu6 N18 O2 -","- C78 H62 Cl6 Cu6 N18 O2 -","- C312 H248 Cl24 Cu24 N72 O8 -","4","0.5","","Chen, Yanmei; Li, Lei; Cao, Yanyuan; Wu, Jian; Gao, Qian; Li, Yahong; Hu, Hailiang; Liu, Wei; Liu, Yonglu; Kang, Zhenhui; Li, Jingping","CuII-mediated controllable creation of tertiary and quaternary carbon centers: designed assembly and structures of a new class of copper complexes supported by in situ generated substituted 1-pyridineimidazo[1,5-a]pyridine ligands","CrystEngComm","2013","15","14","2675","","10.1039/c3ce00012e","","","0.71073","MoKα","","0.047","0.0344","","","0.0889","0.0967","","","","","","1.027","","","","has coordinates,has disorder","180426","2020-10-21","18:00:00",""
"7209573","8.71","0.004","10.353","0.005","14.973","0.007","107.204","0.01","92.64","0.011","94.681","0.011","1282","1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H16 N10 O4 -","- C22 H16 N10 O4 -","- C44 H32 N20 O8 -","2","1","","Anthony, Savarimuthu Philip; Varughese, Sunil","Diaminotriazine substituted diphenyl ether: reversible structural transformation and solvent dependent solid state fluorescence","CrystEngComm","2013","15","20","4117","","10.1039/c3ce00014a","","","0.71073","MoKα","","0.0895","0.0642","","","0.1826","0.1953","","","","","","1.194","","","","has coordinates,has disorder","180426","2020-10-21","18:00:00",""
"7209574","8.366","0.001","9.982","0.001","14.679","0.002","91.465","0.001","97.58","0.003","105.924","0.003","1166","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 N10 O3 S -","- C20 H22 N10 O3 S -","- C40 H44 N20 O6 S2 -","2","1","","Anthony, Savarimuthu Philip; Varughese, Sunil","Diaminotriazine substituted diphenyl ether: reversible structural transformation and solvent dependent solid state fluorescence","CrystEngComm","2013","15","20","4117","","10.1039/c3ce00014a","","","0.71073","MoKα","","0.1038","0.0862","","","0.2387","0.2577","","","","","","1.01","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209575","8.9692","0.0018","10.621","0.002","14.453","0.003","83.86","0.03","85.29","0.03","77.44","0.03","1333.7","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H16 N10 O -","- C18 H16 N10 O -","- C36 H32 N20 O2 -","2","1","","Anthony, Savarimuthu Philip; Varughese, Sunil","Diaminotriazine substituted diphenyl ether: reversible structural transformation and solvent dependent solid state fluorescence","CrystEngComm","2013","15","20","4117","","10.1039/c3ce00014a","","","0.71073","MoKα","","0.0823","0.0716","","","0.1759","0.1805","","","","","","1.032","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209576","15.882","0.004","7.619","0.002","17.176","0.004","90","","115.635","0.005","90","","1873.8","0.8","571","2","571","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N10 O2 -","- C18 H18 N10 O2 -","- C72 H72 N40 O8 -","4","1","","Anthony, Savarimuthu Philip; Varughese, Sunil","Diaminotriazine substituted diphenyl ether: reversible structural transformation and solvent dependent solid state fluorescence","CrystEngComm","2013","15","20","4117","","10.1039/c3ce00014a","","","0.71073","MoKα","","0.0824","0.0489","","","0.0981","0.1084","","","","","","0.903","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209577","12.342","0.003","13.853","0.003","14.853","0.003","90","","101.91","0.03","90","","2484.8","1","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 N10 O2 -","- C18 H18 N10 O2 -","- C72 H72 N40 O8 -","4","1","","Anthony, Savarimuthu Philip; Varughese, Sunil","Diaminotriazine substituted diphenyl ether: reversible structural transformation and solvent dependent solid state fluorescence","CrystEngComm","2013","15","20","4117","","10.1039/c3ce00014a","","","0.71073","MoKα","","0.1017","0.0843","","","0.2246","0.2339","","","","","","1.061","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209578","15.3134","0.0003","14.0411","0.0002","16.3451","0.0003","90","","90.219","0.001","90","","3514.45","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H30 Cd2 N4 O9 -","- C35 H30 Cd2 N4 O9 -","- C140 H120 Cd8 N16 O36 -","4","1","","Guo, Xiang-Guang; Yang, Wen-Bin; Wu, Xiao-Yuan; Zhang, Qi-Kai; Lin, Lang; Yu, RongMin; Lu, Can-Zhong","Stoichiometry, temperature, solvent, metal-directed syntheses of metal‒organic frameworks based on flexible V-shaped methylenebis(3,5-dimethylpyrazole) and various aromatic dicarboxylate acids","CrystEngComm","2013","15","18","3654","","10.1039/c3ce00048f","","","1.54184","CuKα","","0.0551","0.045","","","0.2223","0.2457","","","","","","1.081","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209579","20.3025","0.0012","14.0277","0.0003","19.7191","0.0007","90","","120.074","0.005","90","","4859.9","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H21 Cd N4 O4 -","- C23 H21 Cd N4 O4 -","- C184 H168 Cd8 N32 O32 -","8","1","","Guo, Xiang-Guang; Yang, Wen-Bin; Wu, Xiao-Yuan; Zhang, Qi-Kai; Lin, Lang; Yu, RongMin; Lu, Can-Zhong","Stoichiometry, temperature, solvent, metal-directed syntheses of metal‒organic frameworks based on flexible V-shaped methylenebis(3,5-dimethylpyrazole) and various aromatic dicarboxylate acids","CrystEngComm","2013","15","18","3654","","10.1039/c3ce00048f","","","1.54184","CuKα","","0.0924","0.0823","","","0.2423","0.2654","","","","","","1.086","","","","has coordinates,has disorder","180426","2020-10-21","18:00:00",""
"7209580","13.443","0.0004","13.801","0.0005","18.8121","0.0004","90.97","0.002","104.982","0.002","116.719","0.003","2975.43","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H46 Cd2 N8 O12.5 -","- C58 H46 Cd2 N8 O12.5 -","- C116 H92 Cd4 N16 O25 -","2","1","","Guo, Xiang-Guang; Yang, Wen-Bin; Wu, Xiao-Yuan; Zhang, Qi-Kai; Lin, Lang; Yu, RongMin; Lu, Can-Zhong","Stoichiometry, temperature, solvent, metal-directed syntheses of metal‒organic frameworks based on flexible V-shaped methylenebis(3,5-dimethylpyrazole) and various aromatic dicarboxylate acids","CrystEngComm","2013","15","18","3654","","10.1039/c3ce00048f","","","1.54184","CuKα","","0.0635","0.0551","","","0.1726","0.1852","","","","","","1.089","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209581","9.7163","0.0004","9.3623","0.0003","18.4041","0.0008","90","","105.392","0.004","90","","1614.12","0.11","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C30 H36 Cd N9 O4 -","- C30 H36 Cd N9 O4 -","- C60 H72 Cd2 N18 O8 -","2","0.5","","Guo, Xiang-Guang; Yang, Wen-Bin; Wu, Xiao-Yuan; Zhang, Qi-Kai; Lin, Lang; Yu, RongMin; Lu, Can-Zhong","Stoichiometry, temperature, solvent, metal-directed syntheses of metal‒organic frameworks based on flexible V-shaped methylenebis(3,5-dimethylpyrazole) and various aromatic dicarboxylate acids","CrystEngComm","2013","15","18","3654","","10.1039/c3ce00048f","","","1.54184","CuKα","","0.0331","0.0287","","","0.0703","0.0738","","","","","","1.028","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209582","29.2901","0.0008","9.4068","0.0003","17.3833","0.0005","90","","124.817","0.003","90","","3932.1","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H34 Cd N9 O4 -","- C30 H34 Cd N9 O4 -","- C120 H136 Cd4 N36 O16 -","4","0.5","","Guo, Xiang-Guang; Yang, Wen-Bin; Wu, Xiao-Yuan; Zhang, Qi-Kai; Lin, Lang; Yu, RongMin; Lu, Can-Zhong","Stoichiometry, temperature, solvent, metal-directed syntheses of metal‒organic frameworks based on flexible V-shaped methylenebis(3,5-dimethylpyrazole) and various aromatic dicarboxylate acids","CrystEngComm","2013","15","18","3654","","10.1039/c3ce00048f","","","1.54184","CuKα","","0.0552","0.051","","","0.1458","0.1531","","","","","","1.04","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209583","10.1726","0.0006","11.8494","0.0007","13.6326","0.0008","68.34","0.006","70.388","0.006","68.92","0.005","1385.48","0.16","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C23 H20 Br3 Cd Co0 Ho0 N4 O6 -","- C23 H20 Br3 Cd N4 O6 -","- C46 H40 Br6 Cd2 N8 O12 -","2","1","","Guo, Xiang-Guang; Yang, Wen-Bin; Wu, Xiao-Yuan; Zhang, Qi-Kai; Lin, Lang; Yu, RongMin; Lu, Can-Zhong","Stoichiometry, temperature, solvent, metal-directed syntheses of metal‒organic frameworks based on flexible V-shaped methylenebis(3,5-dimethylpyrazole) and various aromatic dicarboxylate acids","CrystEngComm","2013","15","18","3654","","10.1039/c3ce00048f","","","1.54184","CuKα","","0.0541","0.0499","","","0.1362","0.1422","","","","","","1.016","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209584","19.639","0.003","13.6527","0.001","19.0257","0.0014","90","","119.568","0.007","90","","4436.9","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H19 Br2 Co N4 O4.5 -","- C19 H19 Br2 Co N4 O4.5 -","- C152 H152 Br16 Co8 N32 O36 -","8","1","","Guo, Xiang-Guang; Yang, Wen-Bin; Wu, Xiao-Yuan; Zhang, Qi-Kai; Lin, Lang; Yu, RongMin; Lu, Can-Zhong","Stoichiometry, temperature, solvent, metal-directed syntheses of metal‒organic frameworks based on flexible V-shaped methylenebis(3,5-dimethylpyrazole) and various aromatic dicarboxylate acids","CrystEngComm","2013","15","18","3654","","10.1039/c3ce00048f","","","1.54184","CuKα","","0.096","0.0646","","","0.1609","0.1786","","","","","","1.034","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7209585","9.639","0.004","10.219","0.005","21.866","0.01","90","","90","","90","","2153.8","1.7","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H8 N4 O2 Zn -","- C9 H8 N4 O2 Zn -","- C72 H64 N32 O16 Zn8 -","8","1","","Gao, JinYing; Wang, Ning; Xiong, XiaHua; Chen, ChuJun; Xie, WeiPing; Ran, XingRui; Long, Yi; Yue, ShanTang; Liu, YingLiang","Syntheses, structures, and photoluminescent properties of a series of zinc(ii)‒3-amino-1,2,4-triazolate coordination polymers constructed by varying carboxylate anions","CrystEngComm","2013","15","17","3261","","10.1039/c3ce00049d","","","0.71073","MoKα","","0.1061","0.0775","","","0.167","0.1818","","","","","","1.281","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209586","12.7","0.003","12.7","0.003","25.364","0.005","90","","90","","90","","4091","1.6","296","2","296","2","","","","","","","","5","P 4/n n c :2","-P 4a 2bc","126","","","","- C12 H10 N8 O5 Zn2 -","- C12 H10 N8 O5 Zn2 -","- C96 H80 N64 O40 Zn16 -","8","0.5","","Gao, JinYing; Wang, Ning; Xiong, XiaHua; Chen, ChuJun; Xie, WeiPing; Ran, XingRui; Long, Yi; Yue, ShanTang; Liu, YingLiang","Syntheses, structures, and photoluminescent properties of a series of zinc(ii)‒3-amino-1,2,4-triazolate coordination polymers constructed by varying carboxylate anions","CrystEngComm","2013","15","17","3261","","10.1039/c3ce00049d","","","0.71073","MoKα","","0.0844","0.0585","","","0.1628","0.1833","","","","","","1.091","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209587","10.203","0.006","10.005","0.006","18.287","0.01","90","","90.56","0.008","90","","1866.7","1.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N8 O4 Zn2 -","- C14 H14 N8 O4 Zn2 -","- C56 H56 N32 O16 Zn8 -","4","1","","Gao, JinYing; Wang, Ning; Xiong, XiaHua; Chen, ChuJun; Xie, WeiPing; Ran, XingRui; Long, Yi; Yue, ShanTang; Liu, YingLiang","Syntheses, structures, and photoluminescent properties of a series of zinc(ii)‒3-amino-1,2,4-triazolate coordination polymers constructed by varying carboxylate anions","CrystEngComm","2013","15","17","3261","","10.1039/c3ce00049d","","","0.71073","MoKα","","0.0806","0.0655","","","0.1727","0.186","","","","","","0.991","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209588","22.579","0.003","18.542","0.003","13.6018","0.0019","90","","92.614","0.002","90","","5688.6","1.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H18 N8 O15 Zn4 -","- C22 H18 N8 O15 Zn4 -","- C176 H144 N64 O120 Zn32 -","8","1","","Gao, JinYing; Wang, Ning; Xiong, XiaHua; Chen, ChuJun; Xie, WeiPing; Ran, XingRui; Long, Yi; Yue, ShanTang; Liu, YingLiang","Syntheses, structures, and photoluminescent properties of a series of zinc(ii)‒3-amino-1,2,4-triazolate coordination polymers constructed by varying carboxylate anions","CrystEngComm","2013","15","17","3261","","10.1039/c3ce00049d","","","0.71073","MoKα","","0.066","0.0396","","","0.0885","0.1","","","","","","1.039","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209589","7.977","0.0009","16.763","0.002","15.8519","0.0019","90","","100.788","0.002","90","","2082.2","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 N8 O13 Zn3 -","- C14 H12 N8 O13 Zn3 -","- C56 H48 N32 O52 Zn12 -","4","0.5","","Gao, JinYing; Wang, Ning; Xiong, XiaHua; Chen, ChuJun; Xie, WeiPing; Ran, XingRui; Long, Yi; Yue, ShanTang; Liu, YingLiang","Syntheses, structures, and photoluminescent properties of a series of zinc(ii)‒3-amino-1,2,4-triazolate coordination polymers constructed by varying carboxylate anions","CrystEngComm","2013","15","17","3261","","10.1039/c3ce00049d","","","0.71073","MoKα","","0.0866","0.0781","","","0.1936","0.2009","","","","","","1.068","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209590","9.278","0.003","10.106","0.003","12.136","0.003","92.828","0.004","103.413","0.005","111.715","0.006","1016.8","0.5","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H23.5 Mn N3 O9.75 -","- C16 H22 Mn N3 O9.75 -","- C32 H44 Mn2 N6 O19.5 -","2","1","","Li, Min; Ling, Qian; Yang, Zhi; Li, Bao-Long; Li, Hai-Yan","Seven structural versatile coordination polymers based on a flexible bis(triazole) and polycarboxylate co-ligands: syntheses, structures and properties","CrystEngComm","2013","15","18","3630","","10.1039/c3ce00057e","","","0.71075","MoKα","","0.1365","0.0825","","","0.1414","0.1629","","","","","","1.064","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209591","10.1259","0.0011","11.6606","0.0013","13.7407","0.0013","91.41","0.003","94.187","0.003","109.446","0.003","1523.7","0.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H34 Mn N9 O4 -","- C32 H34 Mn N9 O4 -","- C64 H68 Mn2 N18 O8 -","2","1","","Li, Min; Ling, Qian; Yang, Zhi; Li, Bao-Long; Li, Hai-Yan","Seven structural versatile coordination polymers based on a flexible bis(triazole) and polycarboxylate co-ligands: syntheses, structures and properties","CrystEngComm","2013","15","18","3630","","10.1039/c3ce00057e","","","0.71075","MoKα","","0.1147","0.0707","","","0.1514","0.1732","","","","","","1.052","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209592","5.059","0.002","9.54","0.004","11.701","0.005","90.952","0.012","91.597","0.011","100.868","0.014","554.2","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 Mn N6 O4 -","- C24 H24 Mn N6 O4 -","- C24 H24 Mn N6 O4 -","1","0.5","","Li, Min; Ling, Qian; Yang, Zhi; Li, Bao-Long; Li, Hai-Yan","Seven structural versatile coordination polymers based on a flexible bis(triazole) and polycarboxylate co-ligands: syntheses, structures and properties","CrystEngComm","2013","15","18","3630","","10.1039/c3ce00057e","","","0.7107","MoKα","","0.1064","0.0604","","","0.123","0.1451","","","","","","1.045","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209593","12.2271","0.0006","16.76","0.0007","14.4858","0.0006","90","","94.476","0.004","90","","2959.5","0.2","220","2","220","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 Co N6 O5 -","- C30 H28 Co N6 O5 -","- C120 H112 Co4 N24 O20 -","4","1","","Li, Min; Ling, Qian; Yang, Zhi; Li, Bao-Long; Li, Hai-Yan","Seven structural versatile coordination polymers based on a flexible bis(triazole) and polycarboxylate co-ligands: syntheses, structures and properties","CrystEngComm","2013","15","18","3630","","10.1039/c3ce00057e","","","0.71073","MoKα","","0.0702","0.0519","","","0.1465","0.1567","","","","","","1.011","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209594","15.253","0.003","15.285","0.003","18.224","0.003","107.496","0.002","101.147","0.003","112.147","0.002","3519.8","1.1","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H73 Co4 N12 O28.5 -","- C66 H72 Co4 N12 O28.5 -","- C132 H144 Co8 N24 O57 -","2","1","","Li, Min; Ling, Qian; Yang, Zhi; Li, Bao-Long; Li, Hai-Yan","Seven structural versatile coordination polymers based on a flexible bis(triazole) and polycarboxylate co-ligands: syntheses, structures and properties","CrystEngComm","2013","15","18","3630","","10.1039/c3ce00057e","","","0.71075","MoKα","","0.1311","0.0833","","","0.1663","0.1909","","","","","","1.055","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209595","10.1205","0.0005","11.8855","0.0007","13.4846","0.0007","91.532","0.005","92.938","0.004","110.081","0.005","1519.72","0.15","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H35 N9 Ni O4.5 -","- C32 H34 N9 Ni O4.5 -","- C64 H68 N18 Ni2 O9 -","2","1","","Li, Min; Ling, Qian; Yang, Zhi; Li, Bao-Long; Li, Hai-Yan","Seven structural versatile coordination polymers based on a flexible bis(triazole) and polycarboxylate co-ligands: syntheses, structures and properties","CrystEngComm","2013","15","18","3630","","10.1039/c3ce00057e","","","0.71073","MoKα","","0.0787","0.0535","","","0.1047","0.116","","","","","","1.03","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209596","10.0375","0.0014","15.2234","0.0018","18.925","0.002","90","","90","","90","","2891.8","0.6","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H30 N6 Ni O6 -","- C30 H30 N6 Ni O6 -","- C120 H120 N24 Ni4 O24 -","4","1","","Li, Min; Ling, Qian; Yang, Zhi; Li, Bao-Long; Li, Hai-Yan","Seven structural versatile coordination polymers based on a flexible bis(triazole) and polycarboxylate co-ligands: syntheses, structures and properties","CrystEngComm","2013","15","18","3630","","10.1039/c3ce00057e","","","0.71075","MoKα","","0.0781","0.0578","","","0.1321","0.1462","","","","","","1.024","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209597","10.121","0.002","15.235","0.003","19.027","0.004","90","","90","","90","","2933.8","1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H30 N6 Ni O6 -","- C30 H30 N6 Ni O6 -","- C120 H120 N24 Ni4 O24 -","4","1","","Li, Min; Ling, Qian; Yang, Zhi; Li, Bao-Long; Li, Hai-Yan","Seven structural versatile coordination polymers based on a flexible bis(triazole) and polycarboxylate co-ligands: syntheses, structures and properties","CrystEngComm","2013","15","18","3630","","10.1039/c3ce00057e","","","0.71073","MoKα","","0.1451","0.0887","","","0.1835","0.2054","","","","","","1.089","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209598","10.51","0.004","8.418","0.003","14.039","0.005","90","","97.052","0.005","90","","1232.7","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 Co N3 O6 -","- C11 H9 Co N3 O6 -","- C44 H36 Co4 N12 O24 -","4","1","","Ji, Baoming; Deng, Dongsheng; Ma, Lufang; Li, Hongliang; Fan, Xuesen; Qu, Guirong; Cao, Lei; Zhou, Le","Cobalt(ii), nickel(ii), manganese(ii) and zinc(ii) metal‒organic frameworks constructed with the newly designed 2-(pyridin-4-yl)-4,6-pyrimidine dicarboxylic acid ligand: syntheses, crystal structures and properties","CrystEngComm","2013","15","20","4107","","10.1039/c3ce00068k","","","0.71073","MoKα","","0.0656","0.0455","","","0.0983","0.1079","","","","","","1.043","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209599","10.4369","0.0003","8.4152","0.0002","13.908","0.0004","90","","96.836","0.003","90","","1212.84","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 N3 Ni O6 -","- C11 H9 N3 Ni O6 -","- C44 H36 N12 Ni4 O24 -","4","1","","Ji, Baoming; Deng, Dongsheng; Ma, Lufang; Li, Hongliang; Fan, Xuesen; Qu, Guirong; Cao, Lei; Zhou, Le","Cobalt(ii), nickel(ii), manganese(ii) and zinc(ii) metal‒organic frameworks constructed with the newly designed 2-(pyridin-4-yl)-4,6-pyrimidine dicarboxylic acid ligand: syntheses, crystal structures and properties","CrystEngComm","2013","15","20","4107","","10.1039/c3ce00068k","","","1.54184","CuKα","","0.0382","0.0349","","","0.0961","0.0989","","","","","","1.078","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209600","11.4084","0.0016","11.115","0.0016","8.8184","0.0012","90","","92.036","0.002","90","","1117.5","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H7 Mn N3 O5 -","- C11 H7 Mn N3 O5 -","- C44 H28 Mn4 N12 O20 -","4","1","","Ji, Baoming; Deng, Dongsheng; Ma, Lufang; Li, Hongliang; Fan, Xuesen; Qu, Guirong; Cao, Lei; Zhou, Le","Cobalt(ii), nickel(ii), manganese(ii) and zinc(ii) metal‒organic frameworks constructed with the newly designed 2-(pyridin-4-yl)-4,6-pyrimidine dicarboxylic acid ligand: syntheses, crystal structures and properties","CrystEngComm","2013","15","20","4107","","10.1039/c3ce00068k","","","0.71073","MoKα","","0.0569","0.049","","","0.1271","0.134","","","","","","1.056","","","","has coordinates,has disorder","180427","2020-10-21","18:00:00",""
"7209601","17.422","0.002","9.824","0.0014","15.803","0.002","90","","105.435","0.002","90","","2607.2","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H11 N3 O7 Zn -","- C11 H11 N3 O7 Zn -","- C88 H88 N24 O56 Zn8 -","8","1","","Ji, Baoming; Deng, Dongsheng; Ma, Lufang; Li, Hongliang; Fan, Xuesen; Qu, Guirong; Cao, Lei; Zhou, Le","Cobalt(ii), nickel(ii), manganese(ii) and zinc(ii) metal‒organic frameworks constructed with the newly designed 2-(pyridin-4-yl)-4,6-pyrimidine dicarboxylic acid ligand: syntheses, crystal structures and properties","CrystEngComm","2013","15","20","4107","","10.1039/c3ce00068k","","","0.71073","MoKα","","0.0253","0.0221","","","0.0607","0.0629","","","","","","1.011","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209602","20.3883","0.0013","20.3883","0.0013","20.3883","0.0013","54.956","0.004","54.956","0.004","54.956","0.004","5289.3","0.7","298","2","298","2","","","","","","","","5","R -3 m :R","-P 3* 2","166","","","","- C24 H12 Cu2 N2 O12 -","- C24 H12 Cu2 N2 O12 -","- C72 H36 Cu6 N6 O36 -","3","0.25","","Zheng, Baishu; Liu, Heting; Wang, Zhaoxu; Yu, Xianyong; Yi, Pinggui; Bai, Junfeng","Porous NbO-type metal‒organic framework with inserted acylamide groups exhibiting highly selective CO2 capture","CrystEngComm","2013","15","18","3517","","10.1039/c3ce26177h","","","0.71073","MoKα","","0.0578","0.0522","","","0.1537","0.1571","","","","","","1.054","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209603","19.056","0.005","24.415","0.006","15.698","0.004","90","","109.463","0.013","90","","6886","3","150","2","150","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C42 H70 O35 -","- C42 H70 O35 -","- C168 H280 O140 -","4","1","","Ramos, Ana I.; Braga, Teresa M.; Silva, Patrícia; Fernandes, José A.; Ribeiro-Claro, Paulo; Lopes, Maria de Fátima Silva; Paz, Filipe A. Almeida; Braga, Susana S.","Chloramphenicol·cyclodextrin inclusion compounds: co-dissolution and mechanochemical preparations and antibacterial action","CrystEngComm","2013","15","15","2822","","10.1039/c3ce26414a","","","0.71073","MoKα","","0.2548","0.1366","","","0.3486","0.3942","","","","","","0.918","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209604","8.057","0.003","15.966","0.006","3.447","0.0016","90","","100.06","0.03","90","","436.6","0.3","293","2","293","2","","","","","","","","4","C 1 m 1","C -2y","8","","","","- B3 Cd5 F O9 -","- B3 Cd5 F O9 -","- B6 Cd10 F2 O18 -","2","0.5","","Zou, Guohong; Zhang, Liyuan; Ye, Ning","Synthesis, structure, and characterization of a new promising nonlinear optical crystal: Cd5(BO3)3F","CrystEngComm","2013","15","13","2422","","10.1039/c3ce26506d","","","0.71073","MoKα","","0.0359","0.0346","","","0.0736","0.0742","","","","","","1.172","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209605","6.9513","0.001","8.9349","0.0013","17.922","0.002","83.047","0.002","84.916","0.002","79.039","0.002","1082.3","0.3","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H30 Br4 F8 -","- C54 H30 Br4 F8 -","- C54 H30 Br4 F8 -","1","0.5","","Pang, Xue; Wang, Hui; Zhao, Xiao Ran; Jin, Wei Jun","Co-crystallization turned on the phosphorescence of phenanthrene by C‒Br⋯π halogen bonding, π‒hole⋯π bonding and other assisting interactions","CrystEngComm","2013","15","14","2722","","10.1039/c3ce26661c","","","0.71073","MoKα","","0.0428","0.0307","","","0.0667","0.071","","","","","","1.028","","","","has coordinates,has disorder","180427","2020-10-21","18:00:00",""
"7209606","10.6086","0.0007","21.0572","0.0007","11.4521","0.0007","90","","112.68","0.002","90","","2360.4","0.2","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","m-ClPhO-BsubPc","(3-Chlorophenolato)(subphthalocyaninato)boron","","- C30 H16 B Cl N6 O -","- C30 H16 B Cl N6 O -","- C120 H64 B4 Cl4 N24 O4 -","4","1","","Virdo, Jessica D.; Kawar, Yazan H.; Lough, Alan J.; Bender, Timothy P.","Halogen bonds can direct the solid state arrangement of phenoxy‒boron subphthalocyanines","CrystEngComm","2013","15","16","3187","","10.1039/c3ce26711c","","","0.71073","MoKα","","0.1475","0.0609","","","0.1242","0.1591","","","","","","1.026","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209607","10.6874","0.0003","21.2084","0.0005","11.4373","0.0003","90","","113.079","0.0013","90","","2384.93","0.11","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","m-BrPhO-BsubPc","(3-Bromophenolato)(subphthalocyaninato)boron","","- C30 H16 B Br N6 O -","- C30 H16 B Br N6 O -","- C120 H64 B4 Br4 N24 O4 -","4","1","","Virdo, Jessica D.; Kawar, Yazan H.; Lough, Alan J.; Bender, Timothy P.","Halogen bonds can direct the solid state arrangement of phenoxy‒boron subphthalocyanines","CrystEngComm","2013","15","16","3187","","10.1039/c3ce26711c","","","0.71073","MoKα","","0.0983","0.0472","","","0.094","0.1113","","","","","","1.032","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209608","20.58","0.0004","17.0942","0.0004","16.7268","0.0004","90","","109.811","0.001","90","","5536.2","0.2","150","1","150","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","(3-Iodophenolato)(subphthalocyaninato)boron","(3-Iodophenolato)(subphthalocyaninato)boron","","- C30 H16 B I N6 O -","- C30 H16 B I N6 O -","- C240 H128 B8 I8 N48 O8 -","8","1","","Virdo, Jessica D.; Kawar, Yazan H.; Lough, Alan J.; Bender, Timothy P.","Halogen bonds can direct the solid state arrangement of phenoxy‒boron subphthalocyanines","CrystEngComm","2013","15","16","3187","","10.1039/c3ce26711c","","","0.71073","MoKα","","0.0416","0.0292","","","0.0663","0.0694","","","","","","1.023","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209609","10.8999","0.0004","21.4167","0.0006","11.4529","0.0004","90","","114.267","0.0015","90","","2437.33","0.14","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(3-Iodophenolato)(subphthalocyaninato)boron","(3-Iodophenolato)(subphthalocyaninato)boron","","- C30 H16 B I N6 O -","- C30 H16 B I N6 O -","- C120 H64 B4 I4 N24 O4 -","4","1","","Virdo, Jessica D.; Kawar, Yazan H.; Lough, Alan J.; Bender, Timothy P.","Halogen bonds can direct the solid state arrangement of phenoxy‒boron subphthalocyanines","CrystEngComm","2013","15","16","3187","","10.1039/c3ce26711c","","","0.71073","MoKα","","0.1224","0.0572","","","0.1365","0.1769","","","","","","1.043","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209610","10.1276","0.0003","10.835","0.0003","11.8593","0.0004","86.4627","0.0015","77.0822","0.0013","64.904","0.0015","1147.87","0.06","150","1","150","1","","","","","","","","6","P -1","-P 1","2","o-FPhO-BsubPc","(2-Fluorophenolato)(subphthalocyaninato)boron","","- C30 H16 B F N6 O -","- C30 H16 B F N6 O -","- C60 H32 B2 F2 N12 O2 -","2","1","","Virdo, Jessica D.; Kawar, Yazan H.; Lough, Alan J.; Bender, Timothy P.","Halogen bonds can direct the solid state arrangement of phenoxy‒boron subphthalocyanines","CrystEngComm","2013","15","16","3187","","10.1039/c3ce26711c","","","0.71073","MoKα","","0.0897","0.0557","","","0.1396","0.1637","","","","","","1.046","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209611","8.088","0.0002","42.9323","0.0014","13.7269","0.0004","90","","99.379","0.0015","90","","4702.8","0.2","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","o-ClPhO-BsubPc","(2-Chlorophenolato)(subphthalocyaninato)boron","","- C30 H16 B Cl N6 O -","- C30 H16 B Cl N6 O -","- C240 H128 B8 Cl8 N48 O8 -","8","2","","Virdo, Jessica D.; Kawar, Yazan H.; Lough, Alan J.; Bender, Timothy P.","Halogen bonds can direct the solid state arrangement of phenoxy‒boron subphthalocyanines","CrystEngComm","2013","15","16","3187","","10.1039/c3ce26711c","","","0.71073","MoKα","","0.116","0.0609","","","0.1396","0.1708","","","","","","1.03","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209612","10.8223","0.0005","20.6856","0.0011","11.5946","0.0004","90","","112.325","0.003","90","","2401.1","0.2","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","o-BrPhO-BsubPc","(2-Bromophenolato)(subphthalocyaninato)boron","","- C30 H16 B Br N6 O -","- C30 H16 B Br N6 O -","- C120 H64 B4 Br4 N24 O4 -","4","1","","Virdo, Jessica D.; Kawar, Yazan H.; Lough, Alan J.; Bender, Timothy P.","Halogen bonds can direct the solid state arrangement of phenoxy‒boron subphthalocyanines","CrystEngComm","2013","15","16","3187","","10.1039/c3ce26711c","","","0.71073","MoKα","","0.1398","0.0865","","","0.2227","0.2668","","","","","","1.027","","","","has coordinates,has disorder","180427","2020-10-21","18:00:00",""
"7209613","10.1641","0.0003","13.89","0.0004","19.3994","0.0006","90","","97.604","0.0016","90","","2714.71","0.14","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(2-Iodophenolato)(subphthalocyaninato)boron","(2-Iodophenolato)(subphthalocyaninato)boron","","- C33 H19 B I N6 O -","- C33 H19 B I N6 O -","- C132 H76 B4 I4 N24 O4 -","4","1","","Virdo, Jessica D.; Kawar, Yazan H.; Lough, Alan J.; Bender, Timothy P.","Halogen bonds can direct the solid state arrangement of phenoxy‒boron subphthalocyanines","CrystEngComm","2013","15","16","3187","","10.1039/c3ce26711c","","","0.71073","MoKα","","0.084","0.0479","","","0.1127","0.1317","","","","","","1.049","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209614","11.0324","0.0005","20.5587","0.0008","11.6778","0.0006","90","","112.71","0.002","90","","2443.3","0.2","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(2-Iodophenolato)(subphthalocyaninato)boron","(2-Iodophenolato)(subphthalocyaninato)boron","","- C30 H16 B I N6 O -","- C30 H16 B I N6 O -","- C120 H64 B4 I4 N24 O4 -","4","1","","Virdo, Jessica D.; Kawar, Yazan H.; Lough, Alan J.; Bender, Timothy P.","Halogen bonds can direct the solid state arrangement of phenoxy‒boron subphthalocyanines","CrystEngComm","2013","15","16","3187","","10.1039/c3ce26711c","","","0.71073","MoKα","","0.1609","0.0914","","","0.2426","0.3026","","","","","","1.021","","","","has coordinates,has disorder","180427","2020-10-21","18:00:00",""
"7209615","8.5099","0.0003","12.5191","0.0004","13.8756","0.0006","107.637","0.002","100.015","0.002","99.28","0.003","1350.77","0.09","150","1","150","1","","","","","","","","6","P -1","-P 1","2","Cl5-BsubPc","(Pentachlorophenolato)(subphthalocyaninato)boron","","- C30 H12 B Cl5 N6 O -","- C30 H12 B Cl5 N6 O -","- C60 H24 B2 Cl10 N12 O2 -","2","1","","Virdo, Jessica D.; Kawar, Yazan H.; Lough, Alan J.; Bender, Timothy P.","Halogen bonds can direct the solid state arrangement of phenoxy‒boron subphthalocyanines","CrystEngComm","2013","15","16","3187","","10.1039/c3ce26711c","","","0.71073","MoKα","","0.1322","0.0624","","","0.1477","0.1882","","","","","","1.02","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209616","11.0395","0.0003","11.7114","0.0004","13.16","0.0004","115.177","0.0018","94.94","0.0019","93.673","0.0017","1524.47","0.08","150","1","150","1","","","","","","","","6","P -1","-P 1","2","(Pentabromophenolato)(subphthalocyaninato)boron","(Pentabromophenolato)(subphthalocyaninato)boron","","- C33 H15 B Br5 N6 O -","- C33 H15 B Br5 N6 O -","- C66 H30 B2 Br10 N12 O2 -","2","1","","Virdo, Jessica D.; Kawar, Yazan H.; Lough, Alan J.; Bender, Timothy P.","Halogen bonds can direct the solid state arrangement of phenoxy‒boron subphthalocyanines","CrystEngComm","2013","15","16","3187","","10.1039/c3ce26711c","","","0.71073","MoKα","","0.0632","0.0439","","","0.1036","0.1132","","","","","","1.009","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209617","8.4976","0.0003","12.9454","0.0004","13.965","0.0005","107.243","0.0018","97.553","0.002","101.703","0.002","1406.21","0.09","150","1","150","1","","","","","","","","6","P -1","-P 1","2","(Pentabromophenolato)(subphthalocyaninato)boron","(Pentabromophenolato)(subphthalocyaninato)boron","","- C30 H12 B Br5 N6 O -","- C30 H12 B Br5 N6 O -","- C60 H24 B2 Br10 N12 O2 -","2","1","","Virdo, Jessica D.; Kawar, Yazan H.; Lough, Alan J.; Bender, Timothy P.","Halogen bonds can direct the solid state arrangement of phenoxy‒boron subphthalocyanines","CrystEngComm","2013","15","16","3187","","10.1039/c3ce26711c","","","0.71073","MoKα","","0.0984","0.0656","","","0.1717","0.1901","","","","","","1.047","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209618","26.1217","0.001","20.3172","0.0006","21.5286","0.0005","90","","90.214","0.003","90","","11425.6","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H72 Ge5 N12 O30 V6 -","- C24 H48 Ge5 N12 O30 V6 -","- C192 H384 Ge40 N96 O240 V48 -","8","1","","You, Li-Sheng; Zhu, Qin-Yu; Zhang, Xiang; Pu, Ya-Yang; Bian, Guo-Qing; Dai, Jie","A new type of germanium‒vanadate cluster, [Ge5V6O21(heda)6] (Hheda = N-(2-hydroxyethyl)ethylenediamine)","CrystEngComm","2013","15","13","2411","","10.1039/c3ce26726a","","","0.71073","MoKα","","0.1205","0.0686","","","0.1644","0.1976","","","","","","1.042","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209619","14.4599","0.0002","14.9417","0.0002","15.0638","0.0002","90","","117.683","0.001","90","","2882.07","0.07","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H36 Cl F4 I2 P -","- C22 H36 Cl F4 I2 P -","- C88 H144 Cl4 F16 I8 P4 -","4","1","","Viger-Gravel, Jasmine; Leclerc, Sophie; Korobkov, Ilia; Bryce, David L.","Correlation between 13C chemical shifts and the halogen bonding environment in a series of solid para-diiodotetrafluorobenzene complexes","CrystEngComm","2013","15","16","3168","","10.1039/c3ce26750d","","","0.71073","MoKα","","0.0269","0.0209","","","0.0492","0.0537","","","","","","1.027","","","","has coordinates,has disorder","180427","2020-10-21","18:00:00",""
"7209620","48.3095","0.001","8.7022","0.0002","13.6477","0.0003","90","","90","","90","","5737.5","0.2","200","2","200","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C22 H36 Br F4 I2 N -","- C22 H36 Br F4 I2 N -","- C176 H288 Br8 F32 I16 N8 -","8","1","","Viger-Gravel, Jasmine; Leclerc, Sophie; Korobkov, Ilia; Bryce, David L.","Correlation between 13C chemical shifts and the halogen bonding environment in a series of solid para-diiodotetrafluorobenzene complexes","CrystEngComm","2013","15","16","3168","","10.1039/c3ce26750d","","","0.71073","MoKα","","0.074","0.0667","","","0.1845","0.1889","","","","","","1.123","","","","has coordinates,has disorder","180427","2020-10-21","18:00:00",""
"7209621","49.7447","0.001","8.4785","0.0002","14.1541","0.0003","90","","104.119","0.001","90","","5789.3","0.2","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H72 Br2 F8 I4 P2 -","- C44 H72 Br2 F8 I4 P2 -","- C176 H288 Br8 F32 I16 P8 -","4","0.5","","Viger-Gravel, Jasmine; Leclerc, Sophie; Korobkov, Ilia; Bryce, David L.","Correlation between 13C chemical shifts and the halogen bonding environment in a series of solid para-diiodotetrafluorobenzene complexes","CrystEngComm","2013","15","16","3168","","10.1039/c3ce26750d","","","0.71073","MoKα","","0.057","0.0429","","","0.1057","0.1136","","","","","","1.002","","","","has coordinates,has disorder","180427","2020-10-21","18:00:00",""
"7209622","10.8351","0.0003","11.8074","0.0003","17.0179","0.0004","90","","92.343","0.001","90","","2175.35","0.1","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 Br F2 I P -","- C23 H20 Br F2 I P -","- C92 H80 Br4 F8 I4 P4 -","4","1","","Viger-Gravel, Jasmine; Leclerc, Sophie; Korobkov, Ilia; Bryce, David L.","Correlation between 13C chemical shifts and the halogen bonding environment in a series of solid para-diiodotetrafluorobenzene complexes","CrystEngComm","2013","15","16","3168","","10.1039/c3ce26750d","","","0.71073","MoKα","","0.019","0.0167","","","0.0452","0.0464","","","","","","1.045","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209623","8.687","0.0017","8.9","0.0018","13.039","0.003","104.06","0.03","97.67","0.03","105.15","0.03","922.8","0.4","293","2","293","2","","","","","","","Synthesis","5","P -1","-P 1","2","","","","- C19 H16 Cl N O6 -","- C19 H16 Cl N O6 -","- C38 H32 Cl2 N2 O12 -","2","1","","Briceño, Alexander; Leal, Dayana; Ortega, Gabriela; Delgado, Graciela Díaz de; Ocando, Edgar; Cubillan, Liz","Self-assembly, concomitant photochemical processes, and improvement of the yield of [2 + 2] photoreactions from supramolecular arrays via mechanochemical assistance","CrystEngComm","2013","15","15","2795","","10.1039/c3ce26752k","","","0.71073","MoKα","","0.1409","0.0957","","","0.1819","0.209","","","","","","1.12","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209624","3.88","0.003","10.058","0.006","12.438","0.009","76.64","0.03","88.3","0.04","82.26","0.04","468","0.6","293","2","293","2","","","","","","","Synthesis","4","P -1","-P 1","2","","","","- C20 H18 N2 O8 -","- C20 H18 N2 O8 -","- C20 H18 N2 O8 -","1","0.5","","Briceño, Alexander; Leal, Dayana; Ortega, Gabriela; Delgado, Graciela Díaz de; Ocando, Edgar; Cubillan, Liz","Self-assembly, concomitant photochemical processes, and improvement of the yield of [2 + 2] photoreactions from supramolecular arrays via mechanochemical assistance","CrystEngComm","2013","15","15","2795","","10.1039/c3ce26752k","","","0.71073","MoKα","","0.0715","0.0499","","","0.1241","0.1397","","","","","","1.015","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209625","7.969","0.0001","10.1122","0.0001","17.9406","0.0003","92.936","0.001","94.163","0.001","106.062","0.001","1381.78","0.03","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","Pyrimethamine+carbamazepine+methanol","","- C29 H33 Cl N6 O3 -","- C29 H33 Cl N6 O3 -","- C58 H66 Cl2 N12 O6 -","2","1","","Delori, Amit; Galek, Peter T. A.; Pidcock, Elna; Patni, Mohit; Jones, William","Knowledge-based hydrogen bond prediction and the synthesis of salts and cocrystals of the anti-malarial drug pyrimethamine with various drug and GRAS molecules","CrystEngComm","2013","15","15","2916","","10.1039/c3ce26765b","","","0.71073","MoKα","","0.0856","0.0544","","","0.1253","0.1415","","","","","","1.022","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209626","7.9789","0.0004","10.3092","0.0005","13.6586","0.0007","68.186","0.003","87.884","0.002","75.726","0.003","1008.98","0.09","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","Pyrimethamine+theophylline","","- C19 H21 Cl N8 O2 -","- C19 H21 Cl N8 O2 -","- C38 H42 Cl2 N16 O4 -","2","1","","Delori, Amit; Galek, Peter T. A.; Pidcock, Elna; Patni, Mohit; Jones, William","Knowledge-based hydrogen bond prediction and the synthesis of salts and cocrystals of the anti-malarial drug pyrimethamine with various drug and GRAS molecules","CrystEngComm","2013","15","15","2916","","10.1039/c3ce26765b","","","0.71073","MoKα","","0.0771","0.0543","","","0.1318","0.1472","","","","","","1.037","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209627","6.904","0.0001","7.5866","0.0001","21.2823","0.0003","85.364","0.001","81.052","0.001","79.007","0.001","1079.44","0.03","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","Pyrimethaminium+saccharinate+methanol","","- C20 H22 Cl N5 O4 S -","- C20 H22 Cl N5 O4 S -","- C40 H44 Cl2 N10 O8 S2 -","2","1","","Delori, Amit; Galek, Peter T. A.; Pidcock, Elna; Patni, Mohit; Jones, William","Knowledge-based hydrogen bond prediction and the synthesis of salts and cocrystals of the anti-malarial drug pyrimethamine with various drug and GRAS molecules","CrystEngComm","2013","15","15","2916","","10.1039/c3ce26765b","","","0.71073","MoKα","","0.0506","0.0388","","","0.0936","0.1009","","","","","","1.031","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209628","7.8393","0.0002","11.0472","0.0003","12.106","0.0004","82.881","0.002","71.67","0.002","69.719","0.002","933.38","0.05","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","Pyrimethaminium+alpha-ketoglutarate","","- C17 H19 Cl N4 O5 -","- C17 H19 Cl N4 O5 -","- C34 H38 Cl2 N8 O10 -","2","1","","Delori, Amit; Galek, Peter T. A.; Pidcock, Elna; Patni, Mohit; Jones, William","Knowledge-based hydrogen bond prediction and the synthesis of salts and cocrystals of the anti-malarial drug pyrimethamine with various drug and GRAS molecules","CrystEngComm","2013","15","15","2916","","10.1039/c3ce26765b","","","0.71073","MoKα","","0.0585","0.0409","","","0.1008","0.111","","","","","","1.022","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209629","10.0012","0.0003","11.5494","0.0004","11.7171","0.0004","107.432","0.002","106.355","0.002","99.557","0.002","1191.77","0.07","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","Pyrimethaminium+aspirinate+acetonitrile","","- C23 H24 Cl N5 O4 -","- C23 H24 Cl N5 O4 -","- C46 H48 Cl2 N10 O8 -","2","1","","Delori, Amit; Galek, Peter T. A.; Pidcock, Elna; Patni, Mohit; Jones, William","Knowledge-based hydrogen bond prediction and the synthesis of salts and cocrystals of the anti-malarial drug pyrimethamine with various drug and GRAS molecules","CrystEngComm","2013","15","15","2916","","10.1039/c3ce26765b","","","0.71073","MoKα","","0.0856","0.0471","","","0.124","0.1386","","","","","","1.014","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209630","7.6086","0.0001","9.945","0.0002","14.6138","0.0003","80.963","0.001","87.224","0.001","72.816","0.001","1043.31","0.03","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","Pyrimethaminium+p-coumarate+water","","- C21 H23 Cl N4 O4 -","- C21 H23 Cl N4 O4 -","- C42 H46 Cl2 N8 O8 -","2","1","","Delori, Amit; Galek, Peter T. A.; Pidcock, Elna; Patni, Mohit; Jones, William","Knowledge-based hydrogen bond prediction and the synthesis of salts and cocrystals of the anti-malarial drug pyrimethamine with various drug and GRAS molecules","CrystEngComm","2013","15","15","2916","","10.1039/c3ce26765b","","","0.71073","MoKα","","0.0551","0.0383","","","0.1106","0.1153","","","","","","1.038","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209631","10.194","0.0013","13.2638","0.0017","12.8106","0.0016","90","","106.048","0.002","90","","1664.6","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H22 Gd N O9 -","- C12 H21 Gd N O9 -","- C48 H84 Gd4 N4 O36 -","4","1","","Jhu, Zih-Rong; Yang, Chen-I; Lee, Gene-Hsiang","Two new series of rare-earth organic frameworks involving two structural architectures: syntheses, structures and magnetic properties","CrystEngComm","2013","15","13","2456","","10.1039/c3ce26766k","","","0.71073","MoKα","","0.0634","0.0588","","","0.1146","0.1163","","","","","","1.256","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209632","10.287","0.0007","13.2402","0.0009","12.8956","0.0009","90","","106.596","0.001","90","","1683.2","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H22 N O9 Tb -","- C12 H21 N O9 Tb -","- C48 H84 N4 O36 Tb4 -","4","1","","Jhu, Zih-Rong; Yang, Chen-I; Lee, Gene-Hsiang","Two new series of rare-earth organic frameworks involving two structural architectures: syntheses, structures and magnetic properties","CrystEngComm","2013","15","13","2456","","10.1039/c3ce26766k","","","0.71073","MoKα","","0.0457","0.0399","","","0.0765","0.0781","","","","","","1.216","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209633","10.2267","0.0008","13.2034","0.0011","12.8125","0.0011","90","","106.391","0.0016","90","","1659.7","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H22 Dy N O9 -","- C12 H22 Dy N O9 -","- C48 H88 Dy4 N4 O36 -","4","1","","Jhu, Zih-Rong; Yang, Chen-I; Lee, Gene-Hsiang","Two new series of rare-earth organic frameworks involving two structural architectures: syntheses, structures and magnetic properties","CrystEngComm","2013","15","13","2456","","10.1039/c3ce26766k","","","0.71073","MoKα","","0.056","0.0416","","","0.0862","0.0916","","","","","","1.088","","","","has coordinates,has disorder","180427","2020-10-21","18:00:00",""
"7209634","10.2606","0.0005","13.2388","0.0007","12.8502","0.0007","90","","106.629","0.001","90","","1672.54","0.15","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H44 Ho2 N2 O18 -","- C24 H42 Ho2 N2 O18 -","- C48 H84 Ho4 N4 O36 -","2","0.5","","Jhu, Zih-Rong; Yang, Chen-I; Lee, Gene-Hsiang","Two new series of rare-earth organic frameworks involving two structural architectures: syntheses, structures and magnetic properties","CrystEngComm","2013","15","13","2456","","10.1039/c3ce26766k","","","0.71073","MoKα","","0.0433","0.0347","","","0.0975","0.115","","","","","","1.288","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209635","10.2427","0.0004","13.2007","0.0004","12.8252","0.0005","90","","106.646","0.002","90","","1661.43","0.11","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H44 Er2 N2 O18 -","- C24 H42 Er2 N2 O18 -","- C48 H84 Er4 N4 O36 -","2","0.5","","Jhu, Zih-Rong; Yang, Chen-I; Lee, Gene-Hsiang","Two new series of rare-earth organic frameworks involving two structural architectures: syntheses, structures and magnetic properties","CrystEngComm","2013","15","13","2456","","10.1039/c3ce26766k","","","0.71073","MoKα","","0.0412","0.0369","","","0.0765","0.0788","","","","","","0.884","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209636","8.2558","0.0017","10.82","0.002","14.719","0.003","90","","90","","90","","1314.8","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 O6 Tb -","- C11 H15 O6 Tb -","- C44 H60 O24 Tb4 -","4","1","","Jhu, Zih-Rong; Yang, Chen-I; Lee, Gene-Hsiang","Two new series of rare-earth organic frameworks involving two structural architectures: syntheses, structures and magnetic properties","CrystEngComm","2013","15","13","2456","","10.1039/c3ce26766k","","","0.71073","MoKα","","0.027","0.0246","","","0.0597","0.061","","","","","","1.082","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209637","8.1149","0.0016","10.823","0.002","14.712","0.003","90","","90","","90","","1292.1","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 Er O6 -","- C11 H15 Er O6 -","- C44 H60 Er4 O24 -","4","1","","Jhu, Zih-Rong; Yang, Chen-I; Lee, Gene-Hsiang","Two new series of rare-earth organic frameworks involving two structural architectures: syntheses, structures and magnetic properties","CrystEngComm","2013","15","13","2456","","10.1039/c3ce26766k","","","0.71073","MoKα","","0.041","0.0377","","","0.0939","0.096","","","","","","1.049","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209638","8.1597","0.0016","10.818","0.002","14.716","0.003","90","","90","","90","","1299","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 Ho O6 -","- C11 H15 Ho O6 -","- C44 H60 Ho4 O24 -","4","1","","Jhu, Zih-Rong; Yang, Chen-I; Lee, Gene-Hsiang","Two new series of rare-earth organic frameworks involving two structural architectures: syntheses, structures and magnetic properties","CrystEngComm","2013","15","13","2456","","10.1039/c3ce26766k","","","0.71073","MoKα","","0.0337","0.0302","","","0.07","0.072","","","","","","1.069","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209639","8.1878","0.0008","10.8856","0.0011","14.7371","0.0015","90","","90","","90","","1313.5","0.2","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 Dy O6 -","- C11 H15 Dy O6 -","- C44 H60 Dy4 O24 -","4","1","","Jhu, Zih-Rong; Yang, Chen-I; Lee, Gene-Hsiang","Two new series of rare-earth organic frameworks involving two structural architectures: syntheses, structures and magnetic properties","CrystEngComm","2013","15","13","2456","","10.1039/c3ce26766k","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209640","10.7549","0.0019","12.012","0.002","7.6348","0.0014","90","","109.318","0.002","90","","930.8","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H2 Cd O5 -","- C9 H8 Cd O5 -","- C36 H32 Cd4 O20 -","4","1","","Liu, Guang-Zhen; Li, Xiao-Dong; Li, Xiao-Ling; Wang, Li-Ya","Structural and fluorescent regulation of Cd(ii) coordination polymers with homoterephthalate by N-donor second ligands","CrystEngComm","2013","15","13","2428","","10.1039/c3ce26781d","","","0.71073","MoKα","","0.0168","0.0156","","","0.039","0.0399","","","","","","1.058","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209641","8.3518","0.0014","15.361","0.003","16.038","0.003","90","","100.053","0.002","90","","2026","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 Cd N2 O4 -","- C22 H20 Cd N2 O4 -","- C88 H80 Cd4 N8 O16 -","4","1","","Liu, Guang-Zhen; Li, Xiao-Dong; Li, Xiao-Ling; Wang, Li-Ya","Structural and fluorescent regulation of Cd(ii) coordination polymers with homoterephthalate by N-donor second ligands","CrystEngComm","2013","15","13","2428","","10.1039/c3ce26781d","","","0.71073","MoKα","","0.0415","0.0276","","","0.0454","0.0481","","","","","","1.052","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209642","8.8542","0.0011","10.5788","0.0013","10.917","0.0013","108.08","0.001","92.099","0.001","92.315","0.001","970","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 Cd N2 O4 -","- C21 H16 Cd N2 O4 -","- C42 H32 Cd2 N4 O8 -","2","1","","Liu, Guang-Zhen; Li, Xiao-Dong; Li, Xiao-Ling; Wang, Li-Ya","Structural and fluorescent regulation of Cd(ii) coordination polymers with homoterephthalate by N-donor second ligands","CrystEngComm","2013","15","13","2428","","10.1039/c3ce26781d","","","0.71073","MoKα","","0.0249","0.0234","","","0.0575","0.0588","","","","","","1.053","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209643","10.095","0.002","15.929","0.003","14.236","0.003","90","","106.156","0.002","90","","2198.8","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H42 Cd3 N4 O12 -","- C46 H42 Cd3 N4 O12 -","- C92 H84 Cd6 N8 O24 -","2","0.5","","Liu, Guang-Zhen; Li, Xiao-Dong; Li, Xiao-Ling; Wang, Li-Ya","Structural and fluorescent regulation of Cd(ii) coordination polymers with homoterephthalate by N-donor second ligands","CrystEngComm","2013","15","13","2428","","10.1039/c3ce26781d","","","0.71073","MoKα","","0.0479","0.0345","","","0.0804","0.0884","","","","","","1.034","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209644","10.198","0.002","22.367","0.005","13.285","0.003","90","","97.775","0.003","90","","3002.4","1.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H31 Cd3 N9 O14 -","- C17 H31 Cd3 N9 O14 -","- C68 H124 Cd12 N36 O56 -","4","1","","Liu, Guang-Zhen; Li, Xiao-Dong; Li, Xiao-Ling; Wang, Li-Ya","Structural and fluorescent regulation of Cd(ii) coordination polymers with homoterephthalate by N-donor second ligands","CrystEngComm","2013","15","13","2428","","10.1039/c3ce26781d","","","0.71073","MoKα","","0.0637","0.0542","","","0.1587","0.1672","","","","","","1.077","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209645","4.933","0.0003","8.4214","0.0005","12.3642","0.0008","100.542","0.005","82.986","0.005","97.144","0.005","498.45","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","PIDA cocrystal with oxalamide host","","","- C18 H14 I2 N4 O2 -","- C18 H14 I2 N4 O2 -","- C18 H14 I2 N4 O2 -","1","0.5","","Jin, Hongjian; Plonka, Anna M.; Parise, John B.; Goroff, Nancy S.","Pressure induced topochemical polymerization of diiodobutadiyne: a single-crystal-to-single-crystal transformation","CrystEngComm","2013","15","16","3106","","10.1039/c3ce26851a","","","0.71073","MoKα","","0.1125","0.0673","","","0.1787","0.2064","","","","","","1.05","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209646","11.4581","0.0004","11.6819","0.0004","11.8696","0.0006","64.132","0.004","81.202","0.004","72.663","0.003","1364.15","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H53 N14 O18.5 Zn3 -","- C48 H32 N14 O18.5 Zn3 -","- C48 H32 N14 O18.5 Zn3 -","1","0.5","","Zou, Ji-Yong; Gao, Hong-Ling; Shi, Wei; Cui, Jian-Zhong; Cheng, Peng","Auxiliary ligand-assisted structural diversities of three metal‒organic frameworks with potassium 1H-1,2,3-triazole-4,5-dicarboxylic acid: syntheses, crystal structures and luminescence properties","CrystEngComm","2013","15","14","2682","","10.1039/c3ce26854c","","","0.71073","MoKα","","0.0695","0.0609","","","0.155","0.1622","","","","","","1.039","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209647","39.4912","0.0015","23.7984","0.0012","8.9131","0.0003","90","","90","","90","","8376.8","0.6","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C33 H30 N16 O13 Zn3 -","- C33 H22 N16 O13 Zn3 -","- C264 H176 N128 O104 Zn24 -","8","1","","Zou, Ji-Yong; Gao, Hong-Ling; Shi, Wei; Cui, Jian-Zhong; Cheng, Peng","Auxiliary ligand-assisted structural diversities of three metal‒organic frameworks with potassium 1H-1,2,3-triazole-4,5-dicarboxylic acid: syntheses, crystal structures and luminescence properties","CrystEngComm","2013","15","14","2682","","10.1039/c3ce26854c","","","0.71073","MoKα","","0.1318","0.0749","","","0.1412","0.167","","","","","","1.043","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209648","7.9992","0.0004","7.6259","0.0003","20.6651","0.001","90","","97.391","0.004","90","","1250.12","0.1","121.2","","121.2","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C12 H8 Cd2 K3 N9 O16 -","- C12 H8 Cd2 K3 N9 O16 -","- C24 H16 Cd4 K6 N18 O32 -","2","0.5","","Zou, Ji-Yong; Gao, Hong-Ling; Shi, Wei; Cui, Jian-Zhong; Cheng, Peng","Auxiliary ligand-assisted structural diversities of three metal‒organic frameworks with potassium 1H-1,2,3-triazole-4,5-dicarboxylic acid: syntheses, crystal structures and luminescence properties","CrystEngComm","2013","15","14","2682","","10.1039/c3ce26854c","","","0.71073","MoKα","","0.0422","0.0404","","","0.1162","0.1183","","","","","","1.045","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209649","5.2649","0.0011","8.6837","0.0017","10.192","0.002","105.83","0.03","96.18","0.03","101.4","0.03","432.95","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H12 F4 N2 O6 -","- C18 H12 F4 N2 O6 -","- C18 H12 F4 N2 O6 -","1","0.5","","Wang, Lei; Zhao, Lei; Hu, Yanjing; Wang, Wenqiang; Chen, Ruixin; Yang, Yu","A cooperation molecular recognition study: syntheses and analysis of supramolecular assemblies of tetrafluoroterephthalic acid with some aza compounds","CrystEngComm","2013","15","15","2835","","10.1039/c3ce26865a","","","0.71073","MoKα","","0.1018","0.0597","","","0.1803","0.242","","","","","","1.088","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209650","8.781","0.005","10.066","0.007","10.289","0.006","99.273","0.01","107.452","0.009","110.288","0.009","777.2","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 F8 N4 O8 -","- C30 H24 F8 N4 O8 -","- C30 H24 F8 N4 O8 -","1","0.5","","Wang, Lei; Zhao, Lei; Hu, Yanjing; Wang, Wenqiang; Chen, Ruixin; Yang, Yu","A cooperation molecular recognition study: syntheses and analysis of supramolecular assemblies of tetrafluoroterephthalic acid with some aza compounds","CrystEngComm","2013","15","15","2835","","10.1039/c3ce26865a","","","0.71073","MoKα","","0.0968","0.0467","","","0.111","0.1581","","","","","","1.048","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209651","7.0147","0.0014","7.5439","0.0015","12.6","0.003","76.07","0.03","81.7","0.03","88.92","0.03","640.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H14 F8 N6 O8 -","- C24 H14 F8 N6 O8 -","- C24 H14 F8 N6 O8 -","1","0.5","","Wang, Lei; Zhao, Lei; Hu, Yanjing; Wang, Wenqiang; Chen, Ruixin; Yang, Yu","A cooperation molecular recognition study: syntheses and analysis of supramolecular assemblies of tetrafluoroterephthalic acid with some aza compounds","CrystEngComm","2013","15","15","2835","","10.1039/c3ce26865a","","","0.71073","MoKα","","0.0687","0.0608","","","0.18","0.1904","","","","","","1.069","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209652","8.319","0.003","10.152","0.004","10.642","0.003","87.5","0.006","73.992","0.004","69.092","0.006","805.5","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H10 F4 N2 O4 -","- C18 H10 F4 N2 O4 -","- C36 H20 F8 N4 O8 -","2","1","","Wang, Lei; Zhao, Lei; Hu, Yanjing; Wang, Wenqiang; Chen, Ruixin; Yang, Yu","A cooperation molecular recognition study: syntheses and analysis of supramolecular assemblies of tetrafluoroterephthalic acid with some aza compounds","CrystEngComm","2013","15","15","2835","","10.1039/c3ce26865a","","","0.71073","MoKα","","0.0699","0.0473","","","0.1238","0.1436","","","","","","1.061","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209653","10.041","0.002","6.8049","0.0014","13.405","0.003","90","","100.97","0.03","90","","899.2","0.3","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C20 H10 F4 N4 O5 -","- C20 H10 F4 N4 O5 -","- C40 H20 F8 N8 O10 -","2","0.5","","Wang, Lei; Zhao, Lei; Hu, Yanjing; Wang, Wenqiang; Chen, Ruixin; Yang, Yu","A cooperation molecular recognition study: syntheses and analysis of supramolecular assemblies of tetrafluoroterephthalic acid with some aza compounds","CrystEngComm","2013","15","15","2835","","10.1039/c3ce26865a","","","0.71073","MoKα","","0.0382","0.0356","","","0.0997","0.1011","","","","","","1.087","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209654","7.9033","0.0016","7.9444","0.0016","13.749","0.003","99.65","0.03","96.63","0.03","91.26","0.03","844.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H20 F8 N4 O8 -","- C40 H20 F8 N4 O8 -","- C40 H20 F8 N4 O8 -","1","0.5","","Wang, Lei; Zhao, Lei; Hu, Yanjing; Wang, Wenqiang; Chen, Ruixin; Yang, Yu","A cooperation molecular recognition study: syntheses and analysis of supramolecular assemblies of tetrafluoroterephthalic acid with some aza compounds","CrystEngComm","2013","15","15","2835","","10.1039/c3ce26865a","","","0.71073","MoKα","","0.0702","0.0604","","","0.2249","0.2335","","","","","","1.022","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209655","7.8627","0.0016","9.6759","0.0019","13.503","0.003","79.34","0.03","81.08","0.03","66.64","0.03","923","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H12 F4 N2 O5 -","- C20 H12 F4 N2 O5 -","- C40 H24 F8 N4 O10 -","2","1","","Wang, Lei; Zhao, Lei; Hu, Yanjing; Wang, Wenqiang; Chen, Ruixin; Yang, Yu","A cooperation molecular recognition study: syntheses and analysis of supramolecular assemblies of tetrafluoroterephthalic acid with some aza compounds","CrystEngComm","2013","15","15","2835","","10.1039/c3ce26865a","","","0.71073","MoKα","","0.0699","0.0475","","","0.1461","0.1883","","","","","","1.064","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209656","9.7141","0.0019","7.23","0.0014","17.407","0.004","90","","90","","90","","1222.5","0.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C11 H6 F4 N2 O4 -","- C11 H6 F4 N2 O4 -","- C44 H24 F16 N8 O16 -","4","1","","Wang, Lei; Zhao, Lei; Hu, Yanjing; Wang, Wenqiang; Chen, Ruixin; Yang, Yu","A cooperation molecular recognition study: syntheses and analysis of supramolecular assemblies of tetrafluoroterephthalic acid with some aza compounds","CrystEngComm","2013","15","15","2835","","10.1039/c3ce26865a","","","0.71073","MoKα","","0.0354","0.0345","","","0.0871","0.0882","","","","","","1.066","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209657","5.0356","0.0003","9.3352","0.0006","31.222","0.002","90","","93.442","0.003","90","","1465.05","0.16","150","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","carbamazepine hemikis(fumaric acid)","","","- C17 H14 N2 O3 -","- C17 H14 N2 O3 -","- C68 H56 N8 O12 -","4","1","","Rahim, Syarifah Abd; Hammond, Robert B.; Sheikh, Ahmad Y.; Roberts, Kevin J.","A comparative assessment of the influence of different crystallization screening methodologies on the solid forms of carbamazepine co-crystals","CrystEngComm","2013","15","19","3862","","10.1039/c3ce26878k","","","0.71073","MoKα","","0.0501","0.0361","","","0.084","0.0944","","","","","","1.068","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209658","22.6172","0.0006","10.9922","0.0003","17.0958","0.0005","90","","118.375","0.001","90","","3739.59","0.18","120","","120","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H14 Cu I2 N O5 -","- C17 H14 Cu I2 N O5 -","- C136 H112 Cu8 I16 N8 O40 -","8","1","","Smart, Paul; Bejarano-Villafuerte, Ángela; Brammer, Lee","Coordination chemistry meets halogen bonding and hydrogen bonding: building networks from 3-iodobenzoate paddlewheel units [Cu2(3-Ibz)4(L)2]","CrystEngComm","2013","15","16","3151","","10.1039/c3ce26890j","","","0.71073","MoKα","","0.0853","0.0561","","","0.1427","0.1554","","","","","","1.076","","","","has coordinates,has disorder","180427","2020-10-21","18:00:00",""
"7209659","10.445","0.0011","10.5713","0.0011","12.0695","0.0012","64.728","0.006","82.156","0.007","67.008","0.006","1108.7","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H32 Cu2 I4 N4 O8 -","- C40 H32 Cu2 I4 N4 O8 -","- C40 H32 Cu2 I4 N4 O8 -","1","0.5","","Smart, Paul; Bejarano-Villafuerte, Ángela; Brammer, Lee","Coordination chemistry meets halogen bonding and hydrogen bonding: building networks from 3-iodobenzoate paddlewheel units [Cu2(3-Ibz)4(L)2]","CrystEngComm","2013","15","16","3151","","10.1039/c3ce26890j","","","0.71073","MoKα","","0.0457","0.0341","","","0.1038","0.1125","","","","","","0.82","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209660","11.2066","0.0003","17.1224","0.0004","12.7046","0.0003","90","","96.758","0.002","90","","2420.87","0.1","120","","120","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H28 Cl4 Cu2 I4 N4 O8 -","- C42 H28 Cl4 Cu2 I4 N4 O8 -","- C84 H56 Cl8 Cu4 I8 N8 O16 -","2","0.5","","Smart, Paul; Bejarano-Villafuerte, Ángela; Brammer, Lee","Coordination chemistry meets halogen bonding and hydrogen bonding: building networks from 3-iodobenzoate paddlewheel units [Cu2(3-Ibz)4(L)2]","CrystEngComm","2013","15","16","3151","","10.1039/c3ce26890j","","","0.71073","MoKα","","0.0328","0.0268","","","0.061","0.0631","","","","","","1.055","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209661","9.765","0.0009","9.9384","0.0008","11.6831","0.001","73.381","0.005","80.448","0.005","84.369","0.005","1069.86","0.16","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H24 Cu2 I4 N4 O8 -","- C40 H24 Cu2 I4 N4 O8 -","- C40 H24 Cu2 I4 N4 O8 -","1","0.5","","Smart, Paul; Bejarano-Villafuerte, Ángela; Brammer, Lee","Coordination chemistry meets halogen bonding and hydrogen bonding: building networks from 3-iodobenzoate paddlewheel units [Cu2(3-Ibz)4(L)2]","CrystEngComm","2013","15","16","3151","","10.1039/c3ce26890j","","","0.71073","MoKα","","0.0509","0.0394","","","0.0995","0.1047","","","","","","1.026","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209662","41.924","0.007","8.2952","0.0014","22.541","0.004","90","","90.592","0.003","90","","7839","2","120","","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H32 Cu2 I4 O12 -","- C32 H32 Cu2 I4 O12 -","- C256 H256 Cu16 I32 O96 -","8","1","","Smart, Paul; Bejarano-Villafuerte, Ángela; Brammer, Lee","Coordination chemistry meets halogen bonding and hydrogen bonding: building networks from 3-iodobenzoate paddlewheel units [Cu2(3-Ibz)4(L)2]","CrystEngComm","2013","15","16","3151","","10.1039/c3ce26890j","","","0.71073","MoKα","","0.0865","0.0448","","","0.0864","0.0991","","","","","","0.999","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209663","19.847","0.0009","14.0302","0.0006","12.2535","0.0005","90","","116.97","0.002","90","","3041","0.2","120","","120","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H22 Cl2 Cu I2 N4 O6 -","- C27 H22 Cl2 Cu I2 N4 O6 -","- C108 H88 Cl8 Cu4 I8 N16 O24 -","4","0.5","","Smart, Paul; Bejarano-Villafuerte, Ángela; Brammer, Lee","Coordination chemistry meets halogen bonding and hydrogen bonding: building networks from 3-iodobenzoate paddlewheel units [Cu2(3-Ibz)4(L)2]","CrystEngComm","2013","15","16","3151","","10.1039/c3ce26890j","","","0.71073","MoKα","","0.0381","0.0341","","","0.0909","0.0932","","","","","","1.089","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209664","14.5424","0.0003","16.5333","0.0004","18.3008","0.0003","90","","98.676","0.001","90","","4349.78","0.16","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H28 Cu2 I4 N4 O10 -","- C40 H28 Cu2 I4 N4 O10 -","- C160 H112 Cu8 I16 N16 O40 -","4","1","","Smart, Paul; Bejarano-Villafuerte, Ángela; Brammer, Lee","Coordination chemistry meets halogen bonding and hydrogen bonding: building networks from 3-iodobenzoate paddlewheel units [Cu2(3-Ibz)4(L)2]","CrystEngComm","2013","15","16","3151","","10.1039/c3ce26890j","","","0.71073","MoKα","","0.0465","0.0367","","","0.0853","0.0903","","","","","","1.053","","","","has coordinates,has disorder","180427","2020-10-21","18:00:00",""
"7209665","11.175","0.002","11.499","0.002","22.243","0.004","83.95","0.03","83.06","0.03","76.05","0.03","2745","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H38 Cd3 N10 O18 -","- C48 H38 Cd3 N10 O18 -","- C96 H76 Cd6 N20 O36 -","2","1","","Huang, Fu-Ping; Yang, Zu-Mei; Yao, Peng-Fei; Yu, Qing; Tian, Jin-Lei; Bian, He-Dong; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Coordination assemblies of the CdII‒BDC/bpt mixed-ligand system: positional isomeric effect, structural diversification and luminescent properties","CrystEngComm","2013","15","14","2657","","10.1039/c3ce26905a","","","0.71073","MoKα","","0.1225","0.1036","","","0.2605","0.2745","","","","","","1.002","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209666","9.985","0.002","10.44","0.002","11.511","0.002","93.48","0.03","97.29","0.03","100.15","0.03","1167.4","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 Cd N5 O6 -","- C24 H15 Cd N5 O6 -","- C48 H30 Cd2 N10 O12 -","2","1","","Huang, Fu-Ping; Yang, Zu-Mei; Yao, Peng-Fei; Yu, Qing; Tian, Jin-Lei; Bian, He-Dong; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Coordination assemblies of the CdII‒BDC/bpt mixed-ligand system: positional isomeric effect, structural diversification and luminescent properties","CrystEngComm","2013","15","14","2657","","10.1039/c3ce26905a","","","0.71073","MoKα","","0.0358","0.0318","","","0.0904","0.0923","","","","","","1.076","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209667","14.495","0.003","16.313","0.003","19.838","0.004","90","","107.07","0.03","90","","4484.2","1.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C80 H70 Cd4 N20 O25 -","- C80 H70 Cd4 N20 O25 -","- C160 H140 Cd8 N40 O50 -","2","0.5","","Huang, Fu-Ping; Yang, Zu-Mei; Yao, Peng-Fei; Yu, Qing; Tian, Jin-Lei; Bian, He-Dong; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Coordination assemblies of the CdII‒BDC/bpt mixed-ligand system: positional isomeric effect, structural diversification and luminescent properties","CrystEngComm","2013","15","14","2657","","10.1039/c3ce26905a","","","0.71073","MoKα","","0.0899","0.0671","","","0.1539","0.1631","","","","","","1.181","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209668","9.5869","0.0005","9.7706","0.0006","13.3468","0.0006","75.481","0.004","81.145","0.004","63.89","0.005","1085.39","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H19 Cd N5 O7 -","- C20 H19 Cd N5 O7 -","- C40 H38 Cd2 N10 O14 -","2","1","","Huang, Fu-Ping; Yang, Zu-Mei; Yao, Peng-Fei; Yu, Qing; Tian, Jin-Lei; Bian, He-Dong; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Coordination assemblies of the CdII‒BDC/bpt mixed-ligand system: positional isomeric effect, structural diversification and luminescent properties","CrystEngComm","2013","15","14","2657","","10.1039/c3ce26905a","","","0.71073","MoKα","","0.0372","0.0313","","","0.0763","0.0807","","","","","","1.037","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209669","16.931","0.003","9.908","0.002","21.471","0.004","90","","108.61","0.03","90","","3413.5","1.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H32 Cd N10 O9 -","- C32 H32 Cd N10 O9 -","- C128 H128 Cd4 N40 O36 -","4","1","","Huang, Fu-Ping; Yang, Zu-Mei; Yao, Peng-Fei; Yu, Qing; Tian, Jin-Lei; Bian, He-Dong; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Coordination assemblies of the CdII‒BDC/bpt mixed-ligand system: positional isomeric effect, structural diversification and luminescent properties","CrystEngComm","2013","15","14","2657","","10.1039/c3ce26905a","","","0.71073","MoKα","","0.1039","0.0685","","","0.1417","0.1594","","","","","","0.984","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209670","7.041","0.0014","23.337","0.005","13.814","0.004","90","","116.54","0.02","90","","2030.7","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 Cd N5 O6 -","- C20 H16 Cd N5 O6 -","- C80 H64 Cd4 N20 O24 -","4","1","","Huang, Fu-Ping; Yang, Zu-Mei; Yao, Peng-Fei; Yu, Qing; Tian, Jin-Lei; Bian, He-Dong; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Coordination assemblies of the CdII‒BDC/bpt mixed-ligand system: positional isomeric effect, structural diversification and luminescent properties","CrystEngComm","2013","15","14","2657","","10.1039/c3ce26905a","","","0.71073","MoKα","","0.1529","0.126","","","0.2899","0.3007","","","","","","1.282","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209671","13.627","0.004","13.627","0.004","36.416","0.012","90","","90","","90","","6762","4","296","2","296","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C60 H56 N10 O17 -","- C60 H56 N10 O17 -","- C240 H224 N40 O68 -","4","0.5","","Konar, Anita Dutt","Can a single pyridinedicarboxylic acid be ample enough to nucleate supramolecular double helices in enantiomeric pseudopeptides?","CrystEngComm","2013","15","13","2466","","10.1039/c3ce26912d","","","0.71073","MoKα","","0.1765","0.0917","","","0.2331","0.2713","","","","","","0.931","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209672","13.5368","0.0006","13.5368","0.0006","36.4665","0.0015","90","","90","","90","","6682.3","0.5","296","2","296","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C62 H58 N10 O17 -","- C62 H58 N10 O17 -","- C248 H232 N40 O68 -","4","0.5","","Konar, Anita Dutt","Can a single pyridinedicarboxylic acid be ample enough to nucleate supramolecular double helices in enantiomeric pseudopeptides?","CrystEngComm","2013","15","13","2466","","10.1039/c3ce26912d","","","0.71073","MoKα","","0.0891","0.0717","","","0.2208","0.2361","","","","","","1.104","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209673","6.6678","0.0005","11.953","0.0009","12.7015","0.001","93.451","0.004","103.761","0.004","102.981","0.004","951.2","0.13","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H28 Cu2 I4 O10 -","- C34 H28 Cu2 I4 O10 -","- C34 H28 Cu2 I4 O10 -","1","0.5","","Smart, Paul; Bejarano-Villafuerte, Ángela; Hendry, Rebecca M.; Brammer, Lee","Persistent C‒I⋯π halogen-bonded layer motifs involving 4-iodobenzoate paddlewheel units, Cu2(4-Ibz)4(L)2","CrystEngComm","2013","15","16","3160","","10.1039/c3ce26919a","","","0.71073","MoKα","","0.0431","0.0302","","","0.0621","0.0661","","","","","","1.027","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209674","6.5847","0.0005","15.8533","0.0013","18.2578","0.0015","92.436","0.006","90.283","0.006","93.469","0.006","1900.7","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H28 Cu2 I4 O10 S2 -","- C32 H28 Cu2 I4 O10 S2 -","- C64 H56 Cu4 I8 O20 S4 -","2","1","","Smart, Paul; Bejarano-Villafuerte, Ángela; Hendry, Rebecca M.; Brammer, Lee","Persistent C‒I⋯π halogen-bonded layer motifs involving 4-iodobenzoate paddlewheel units, Cu2(4-Ibz)4(L)2","CrystEngComm","2013","15","16","3160","","10.1039/c3ce26919a","","","0.71073","MoKα","","0.0853","0.0512","","","0.119","0.13","","","","","","1.06","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209675","12.196","0.002","13.011","0.002","13.015","0.002","74.517","0.007","68.073","0.007","87.38","0.008","1843","0.5","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 Cu2 I4 O10 -","- C32 H28 Cu2 I4 O10 -","- C64 H56 Cu4 I8 O20 -","2","1","","Smart, Paul; Bejarano-Villafuerte, Ángela; Hendry, Rebecca M.; Brammer, Lee","Persistent C‒I⋯π halogen-bonded layer motifs involving 4-iodobenzoate paddlewheel units, Cu2(4-Ibz)4(L)2","CrystEngComm","2013","15","16","3160","","10.1039/c3ce26919a","","","0.71073","MoKα","","0.0688","0.0411","","","0.0976","0.1093","","","","","","1.058","","","","has coordinates,has disorder","180427","2020-10-21","18:00:00",""
"7209676","12.997","0.003","12.621","0.003","16.88","0.003","90","","96.15","0.03","90","","2753","1","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H58 Cu2 I4 N6 O14 -","- C46 H58 Cu2 I4 N6 O14 -","- C92 H116 Cu4 I8 N12 O28 -","2","0.5","","Smart, Paul; Bejarano-Villafuerte, Ángela; Hendry, Rebecca M.; Brammer, Lee","Persistent C‒I⋯π halogen-bonded layer motifs involving 4-iodobenzoate paddlewheel units, Cu2(4-Ibz)4(L)2","CrystEngComm","2013","15","16","3160","","10.1039/c3ce26919a","","","0.71073","MoKα","","0.0526","0.0429","","","0.1107","0.1149","","","","","","1.031","","","","has coordinates,has disorder","180427","2020-10-21","18:00:00",""
"7209677","13.4825","0.0004","13.4825","0.0004","9.8363","0.0003","90","","90","","90","","1788.02","0.09","100","","100","","","","","","","","","6","I 4/m","-I 4","87","","","","- C36 H32 Cu2 I4 N2 O8 -","- C36 H32 Cu2 I4 N2 O8 -","- C72 H64 Cu4 I8 N4 O16 -","2","0.125","","Smart, Paul; Bejarano-Villafuerte, Ángela; Hendry, Rebecca M.; Brammer, Lee","Persistent C‒I⋯π halogen-bonded layer motifs involving 4-iodobenzoate paddlewheel units, Cu2(4-Ibz)4(L)2","CrystEngComm","2013","15","16","3160","","10.1039/c3ce26919a","","","0.71073","MoKα","","0.12","0.0858","","","0.2484","0.2747","","","","","","1.052","","","","has coordinates,has disorder","180427","2020-10-21","18:00:00",""
"7209678","15.23","0.003","22.664","0.005","27.692","0.005","90","","102.821","0.01","90","","9320","3","150.15","","150.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H24 Cu2 I4 N2 O8 -","- C38 H24 Cu2 I4 N2 O8 -","- C304 H192 Cu16 I32 N16 O64 -","8","2","","Smart, Paul; Bejarano-Villafuerte, Ángela; Hendry, Rebecca M.; Brammer, Lee","Persistent C‒I⋯π halogen-bonded layer motifs involving 4-iodobenzoate paddlewheel units, Cu2(4-Ibz)4(L)2","CrystEngComm","2013","15","16","3160","","10.1039/c3ce26919a","","","0.71073","MoKα","","0.31","0.1425","","","0.3537","0.4112","","","","","","0.906","","","","has coordinates,has disorder","180427","2020-10-21","18:00:00",""
"7209679","8.2079","0.0019","16.029","0.004","24.699","0.006","102.764","0.017","98.004","0.016","101.353","0.014","3049.9","1.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C66 H56 Cu2 I4 N4 O10 -","- C66 H56 Cu2 I4 N4 O10 -","- C132 H112 Cu4 I8 N8 O20 -","2","1","","Smart, Paul; Bejarano-Villafuerte, Ángela; Hendry, Rebecca M.; Brammer, Lee","Persistent C‒I⋯π halogen-bonded layer motifs involving 4-iodobenzoate paddlewheel units, Cu2(4-Ibz)4(L)2","CrystEngComm","2013","15","16","3160","","10.1039/c3ce26919a","","","0.71073","MoKα","","0.231","0.108","","","0.2654","0.3417","","","","","","1.03","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209680","8.4221","0.0012","9.3371","0.0014","14.325","0.002","84.824","0.004","76.353","0.004","84.257","0.005","1086.6","0.3","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H22 N4 O7 Zn -","- C21 H22 N4 O7 Zn -","- C42 H44 N8 O14 Zn2 -","2","1","","Meng, Qing-hong; Zhou, Pei; Song, Fang; Wang, Yue-bing; Liu, Gui-lei; Li, Hui","Controlled fluorescent properties of Zn(ii) salen-type complex based on ligand design","CrystEngComm","2013","15","15","2786","","10.1039/c3ce26935c","","","0.71073","MoKα","","0.0436","0.0375","","","0.08","0.0833","","","","","","1.049","","","","has coordinates,has disorder","180427","2020-10-21","18:00:00",""
"7209681","11.95","0.002","7.6626","0.0015","17.867","0.004","90","","105.24","0.03","90","","1578.5","0.6","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H12 N4 O5 Zn -","- C18 H12 N4 O5 Zn -","- C72 H48 N16 O20 Zn4 -","4","1","","Meng, Qing-hong; Zhou, Pei; Song, Fang; Wang, Yue-bing; Liu, Gui-lei; Li, Hui","Controlled fluorescent properties of Zn(ii) salen-type complex based on ligand design","CrystEngComm","2013","15","15","2786","","10.1039/c3ce26935c","","","0.71073","MoKα","","0.0597","0.0401","","","0.0896","0.1068","","","","","","1.088","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209682","9.4123","0.0016","9.4994","0.0007","13.1602","0.0018","74.96","0.02","83.55","0.03","82.9","0.03","1123.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H30 N4 O7 Zn -","- C18 H24 N4 O7 Zn -","- C36 H48 N8 O14 Zn2 -","2","1","","Wen, Yuehong; Sheng, Tianlu; Hu, Shengmin; Wang, Yanlong; Tan, Chunhong; Ma, Xiao; Xue, Zhenzhen; Wang, Yong; Wu, Xintao","Effect of anions on the self-assembly of Zn(ii) with a hydrogenated Schiff base ligand: structural diversity and photoluminescent properties","CrystEngComm","2013","15","14","2714","","10.1039/c3ce26937j","","","0.71073","MoKα","","0.0631","0.0526","","","0.148","0.1613","","","","","","1.079","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209683","9.413","0.005","18.542","0.009","15.016","0.008","90","","100.205","0.008","90","","2579","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H30 Cl2 N4 O14 Zn -","- C14 H18 Cl2.003 N4 O14 Zn -","- C56 H72 Cl8.012 N16 O56 Zn4 -","4","1","","Wen, Yuehong; Sheng, Tianlu; Hu, Shengmin; Wang, Yanlong; Tan, Chunhong; Ma, Xiao; Xue, Zhenzhen; Wang, Yong; Wu, Xintao","Effect of anions on the self-assembly of Zn(ii) with a hydrogenated Schiff base ligand: structural diversity and photoluminescent properties","CrystEngComm","2013","15","14","2714","","10.1039/c3ce26937j","","","0.71073","MoKα","","0.0894","0.0778","","","0.2472","0.2639","","","","","","1.074","","","","has coordinates,has disorder","180427","2020-10-21","18:00:00",""
"7209684","17.083","0.012","22.908","0.016","23.481","0.015","90","","90","","90","","9189","11","293","2","293","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C16 H22 N6 O2 S2 Zn -","- C16 H18 N6 O2 S2 Zn -","- C256 H288 N96 O32 S32 Zn16 -","16","0.5","","Wen, Yuehong; Sheng, Tianlu; Hu, Shengmin; Wang, Yanlong; Tan, Chunhong; Ma, Xiao; Xue, Zhenzhen; Wang, Yong; Wu, Xintao","Effect of anions on the self-assembly of Zn(ii) with a hydrogenated Schiff base ligand: structural diversity and photoluminescent properties","CrystEngComm","2013","15","14","2714","","10.1039/c3ce26937j","","","0.71073","MoKα","","0.0938","0.0747","","","0.2358","0.2599","","","","","","1.085","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209685","14.429","0.004","19.03","0.005","24.58","0.007","90","","90","","90","","6749","3","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C14 H21 Cl2 N4 O1.5 Zn -","- C14 H18 Cl2 N4 O1.5 Zn -","- C224 H288 Cl32 N64 O24 Zn16 -","16","1","","Wen, Yuehong; Sheng, Tianlu; Hu, Shengmin; Wang, Yanlong; Tan, Chunhong; Ma, Xiao; Xue, Zhenzhen; Wang, Yong; Wu, Xintao","Effect of anions on the self-assembly of Zn(ii) with a hydrogenated Schiff base ligand: structural diversity and photoluminescent properties","CrystEngComm","2013","15","14","2714","","10.1039/c3ce26937j","","","0.71073","MoKα","","0.0357","0.0326","","","0.0751","0.0766","","","","","","1.051","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209686","9.654","0.003","12.336","0.003","13.268","0.004","62.445","0.013","77.26","0.017","68.993","0.016","1304.9","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H40 Br8 N8 O2 Zn4 -","- C28 H36 Br8 N8 O2 Zn4 -","- C28 H36 Br8 N8 O2 Zn4 -","1","0.5","","Wen, Yuehong; Sheng, Tianlu; Hu, Shengmin; Wang, Yanlong; Tan, Chunhong; Ma, Xiao; Xue, Zhenzhen; Wang, Yong; Wu, Xintao","Effect of anions on the self-assembly of Zn(ii) with a hydrogenated Schiff base ligand: structural diversity and photoluminescent properties","CrystEngComm","2013","15","14","2714","","10.1039/c3ce26937j","","","0.71073","MoKα","","0.0855","0.0601","","","0.1683","0.1914","","","","","","1.102","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209687","9.377","0.003","11.834","0.004","12.956","0.004","64.086","0.01","79.02","0.014","71.274","0.012","1222.6","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H44 Cl8 N8 O4 Zn4 -","- C28 H36 Cl8 N8 O4 Zn4 -","- C28 H36 Cl8 N8 O4 Zn4 -","1","0.5","","Wen, Yuehong; Sheng, Tianlu; Hu, Shengmin; Wang, Yanlong; Tan, Chunhong; Ma, Xiao; Xue, Zhenzhen; Wang, Yong; Wu, Xintao","Effect of anions on the self-assembly of Zn(ii) with a hydrogenated Schiff base ligand: structural diversity and photoluminescent properties","CrystEngComm","2013","15","14","2714","","10.1039/c3ce26937j","","","0.71073","MoKα","","0.0656","0.0534","","","0.1591","0.1707","","","","","","1.077","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209688","14.1484","0.0005","14.2777","0.0005","21.0378","0.0007","106.575","0.003","95.223","0.003","100.968","0.003","3950.8","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C66 H106 N2 O36 P S4 Y -","- C66 H106 N2 O36 P S4 Y -","- C132 H212 N4 O72 P2 S8 Y2 -","2","1","","Ling, Irene; Sobolev, Alexandre N.; Alias, Yatimah; Raston, Colin L.","Micelle to extended multi-component bilayer systems involving decyl and dodecyl imidazolium and pyridinium cations","CrystEngComm","2013","15","15","2888","","10.1039/c3ce26991d","","","0.71073","MoKα","","0.2079","0.1557","","","0.3324","0.3666","","","","","","1.009","","","","has coordinates,has disorder","180427","2020-10-21","18:00:00",""
"7209689","14.1613","0.0004","14.2691","0.0003","21.0932","0.0006","106.609","0.002","95.188","0.002","101.065","0.002","3960.4","0.19","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C66 H106 Gd N2 O36 P S4 -","- C66 H106 Gd N2 O36 P S4 -","- C132 H212 Gd2 N4 O72 P2 S8 -","2","1","","Ling, Irene; Sobolev, Alexandre N.; Alias, Yatimah; Raston, Colin L.","Micelle to extended multi-component bilayer systems involving decyl and dodecyl imidazolium and pyridinium cations","CrystEngComm","2013","15","15","2888","","10.1039/c3ce26991d","","","0.71073","MoKα","","0.198","0.1553","","","0.3256","0.3542","","","","","","1.009","","","","has coordinates,has disorder","180427","2020-10-21","18:00:00",""
"7209690","14.0694","0.0004","14.3067","0.0005","20.9333","0.0007","105.88","0.003","95.132","0.002","101.529","0.002","3924.3","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C67 H100 N2 O33 P S4 Y -","- C67 H98 N2 O33 P S4 Y -","- C134 H196 N4 O66 P2 S8 Y2 -","2","1","","Ling, Irene; Sobolev, Alexandre N.; Alias, Yatimah; Raston, Colin L.","Micelle to extended multi-component bilayer systems involving decyl and dodecyl imidazolium and pyridinium cations","CrystEngComm","2013","15","15","2888","","10.1039/c3ce26991d","","","1.54178","CuKα","","0.1768","0.151","","","0.3304","0.3466","","","","","","1.009","","","","has coordinates,has disorder","180427","2020-10-21","18:00:00",""
"7209691","14.685","0.0005","14.7838","0.0005","21.1776","0.0006","107.952","0.003","100.973","0.002","105.689","0.003","4018.5","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C69 H105 N O34 P S4 Y -","- C69 H105 N O34 P S4 Y -","- C138 H210 N2 O68 P2 S8 Y2 -","2","1","","Ling, Irene; Sobolev, Alexandre N.; Alias, Yatimah; Raston, Colin L.","Micelle to extended multi-component bilayer systems involving decyl and dodecyl imidazolium and pyridinium cations","CrystEngComm","2013","15","15","2888","","10.1039/c3ce26991d","","","0.71073","MoKα","","0.1204","0.0866","","","0.1684","0.187","","","","","","1.003","","","","has coordinates,has disorder","180427","2020-10-21","18:00:00",""
"7209692","9.0811","0.0006","9.5438","0.0005","12.3439","0.0009","78.643","0.004","71.021","0.003","67.775","0.004","933.16","0.11","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H12 N2 O9 S U -","- C18 H12 N2 O9 S U -","- C36 H24 N4 O18 S2 U2 -","2","1","","Thuéry, Pierre","One- to three-dimensional uranyl‒organic assemblies with 3-sulfophthalic and 5-sulfoisophthalic acids","CrystEngComm","2013","15","13","2401","","10.1039/c3ce26996e","","","0.71073","MoKα","","0.0378","0.0298","","","0.0671","0.0692","","","","","","1.022","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209693","9.8594","0.0005","11.6695","0.0007","14.334","0.0007","70.785","0.003","77.639","0.003","71.479","0.002","1465.57","0.14","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H44 N14 Ni2 O34 S2 U2 -","- C40 H44 N14 Ni2 O34 S2 U2 -","- C40 H44 N14 Ni2 O34 S2 U2 -","1","0.5","","Thuéry, Pierre","One- to three-dimensional uranyl‒organic assemblies with 3-sulfophthalic and 5-sulfoisophthalic acids","CrystEngComm","2013","15","13","2401","","10.1039/c3ce26996e","","","0.71073","MoKα","","0.0395","0.0302","","","0.0641","0.0661","","","","","","1.023","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209694","9.2111","0.0008","13.1733","0.0006","16.0964","0.0013","84.739","0.004","83.029","0.004","87.457","0.005","1929.4","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H19 N O9 S U -","- C14 H19 N O9 S U -","- C56 H76 N4 O36 S4 U4 -","4","2","","Thuéry, Pierre","One- to three-dimensional uranyl‒organic assemblies with 3-sulfophthalic and 5-sulfoisophthalic acids","CrystEngComm","2013","15","13","2401","","10.1039/c3ce26996e","","","0.71073","MoKα","","0.0861","0.049","","","0.1233","0.1353","","","","","","1.04","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209695","11.5202","0.0006","14.4501","0.001","22.0213","0.001","90","","100.47","0.003","90","","3604.8","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 N2 O11.5 S U -","- C12 H8 N2 O11.5 S U -","- C96 H64 N16 O92 S8 U8 -","8","2","","Thuéry, Pierre","One- to three-dimensional uranyl‒organic assemblies with 3-sulfophthalic and 5-sulfoisophthalic acids","CrystEngComm","2013","15","13","2401","","10.1039/c3ce26996e","","","0.71073","MoKα","","0.0704","0.042","","","0.0913","0.0989","","","","","","0.969","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209696","11.4801","0.0005","21.0566","0.0014","14.7227","0.001","90","","110.471","0.004","90","","3334.2","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 N2 O24 S2 U2 -","- C22 H30 N2 O24 S2 U2 -","- C88 H120 N8 O96 S8 U8 -","4","1","","Thuéry, Pierre","One- to three-dimensional uranyl‒organic assemblies with 3-sulfophthalic and 5-sulfoisophthalic acids","CrystEngComm","2013","15","13","2401","","10.1039/c3ce26996e","","","0.71073","MoKα","","0.069","0.0448","","","0.108","0.117","","","","","","1.048","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209697","18.3342","0.0006","7.6172","0.0002","16.7658","0.0007","90","","90","","90","","2341.43","0.14","116","1","116","1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C9 H7 Cd0.5 I N7 -","- C9 H7 Cd0.5 I N7 -","- C72 H56 Cd4 I8 N56 -","8","1","","Ding, Bin; Yang, Pan; Liu, Yuan Yuan; Wang, Ying; Du, Gui Xiang","Hydrothermal syntheses and characterization of a series of luminescent Cd(ii) frameworks with pyridine-based and benzene-based bis-triazole ligands","CrystEngComm","2013","15","13","2490","","10.1039/c3ce26998a","","","0.71073","MoKα","","0.0545","0.0323","","","0.0611","0.0714","","","","","","1.097","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209698","20.0843","0.0005","20.0843","0.0005","20.2408","0.0007","90","","90","","120","","7070.9","0.3","293","2","293","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C10.8 H8.4 B Cd0.6 F5.2 N8.4 O3.6 P0.2 -","- C10.8 H8.4 B0.996 Cd0.6 F5.184 N8.4 O3.6 P0.2 -","- C162 H126 B14.94 Cd9 F77.76 N126 O54 P3 -","15","0.833333","","Ding, Bin; Yang, Pan; Liu, Yuan Yuan; Wang, Ying; Du, Gui Xiang","Hydrothermal syntheses and characterization of a series of luminescent Cd(ii) frameworks with pyridine-based and benzene-based bis-triazole ligands","CrystEngComm","2013","15","13","2490","","10.1039/c3ce26998a","","","0.71073","MoKα","","0.1105","0.0814","","","0.188","0.2076","","","","","","1.078","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209699","16.549","0.012","6.323","0.005","15.523","0.011","90","","109.066","0.01","90","","1535","2","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Cd I2 N6 -","- C10 H8 Cd I2 N6 -","- C40 H32 Cd4 I8 N24 -","4","0.5","","Ding, Bin; Yang, Pan; Liu, Yuan Yuan; Wang, Ying; Du, Gui Xiang","Hydrothermal syntheses and characterization of a series of luminescent Cd(ii) frameworks with pyridine-based and benzene-based bis-triazole ligands","CrystEngComm","2013","15","13","2490","","10.1039/c3ce26998a","","","0.71073","MoKα","","0.0277","0.0236","","","0.0566","0.0596","","","","","","0.883","","","","has coordinates,has disorder","180427","2020-10-21","18:00:00",""
"7209700","5.5829","0.0013","7.2843","0.0017","9.482","0.002","93.241","0.003","102.883","0.003","94.796","0.003","373.46","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H8 Cd N8 S2 -","- C12 H8 Cd N8 S2 -","- C12 H8 Cd N8 S2 -","1","0.5","","Ding, Bin; Yang, Pan; Liu, Yuan Yuan; Wang, Ying; Du, Gui Xiang","Hydrothermal syntheses and characterization of a series of luminescent Cd(ii) frameworks with pyridine-based and benzene-based bis-triazole ligands","CrystEngComm","2013","15","13","2490","","10.1039/c3ce26998a","","","0.71073","MoKα","","0.0251","0.0244","","","0.0671","0.0676","","","","","","1.074","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209701","7.4903","0.0012","12.354","0.002","16.282","0.003","101.81","0.003","97.598","0.002","91.796","0.003","1459.2","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H32 Cd2 F12 N24 O13 Si2 -","- C42 H32 Cd2 F12 N24 O13 Si2 -","- C42 H32 Cd2 F12 N24 O13 Si2 -","1","0.5","","Ding, Bin; Yang, Pan; Liu, Yuan Yuan; Wang, Ying; Du, Gui Xiang","Hydrothermal syntheses and characterization of a series of luminescent Cd(ii) frameworks with pyridine-based and benzene-based bis-triazole ligands","CrystEngComm","2013","15","13","2490","","10.1039/c3ce26998a","","","0.71073","MoKα","","0.0805","0.0714","","","0.1852","0.1961","","","","","","1.033","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7209702","16.247","0.004","16.247","0.004","8.146","0.004","90","","90","","120","","1862.2","1.1","150","2","150","2","","","","","","","","6","P 63/m c m","-P 6c 2","193","","","","- C30 H24 Cd Cl2 N18 O8 -","- C30 H24 Cd Cl2 N18 O8 -","- C60 H48 Cd2 Cl4 N36 O16 -","2","0.0833333","","Ding, Bin; Yang, Pan; Liu, Yuan Yuan; Wang, Ying; Du, Gui Xiang","Hydrothermal syntheses and characterization of a series of luminescent Cd(ii) frameworks with pyridine-based and benzene-based bis-triazole ligands","CrystEngComm","2013","15","13","2490","","10.1039/c3ce26998a","","","0.71073","MoKα","","0.0936","0.0792","","","0.2685","0.2888","","","","","","1.018","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209703","7.5567","0.0017","12.29","0.003","16.329","0.004","101.322","0.003","97.13","0.003","92.066","0.003","1472.6","0.6","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H16 Cd F6 N12 O6 Si -","- C20 H16 Cd F6 N12 O6 Si -","- C40 H32 Cd2 F12 N24 O12 Si2 -","2","1","","Ding, Bin; Yang, Pan; Liu, Yuan Yuan; Wang, Ying; Du, Gui Xiang","Hydrothermal syntheses and characterization of a series of luminescent Cd(ii) frameworks with pyridine-based and benzene-based bis-triazole ligands","CrystEngComm","2013","15","13","2490","","10.1039/c3ce26998a","","","0.71073","MoKα","","0.1343","0.0736","","","0.1722","0.2047","","","","","","1.046","","","","has coordinates,has disorder","180428","2020-10-21","18:00:00",""
"7209704","16.21","0.004","16.21","0.004","8.07","0.004","90","","90","","120","","1836.4","1.1","173","2","173","2","","","","","","","","6","P 63/m c m","-P 6c 2","193","","","","- C30 H24 B2 Cd F8 N18 -","- C30 H24 B2 Cd F8 N18 -","- C60 H48 B4 Cd2 F16 N36 -","2","0.0833333","","Ding, Bin; Yang, Pan; Liu, Yuan Yuan; Wang, Ying; Du, Gui Xiang","Hydrothermal syntheses and characterization of a series of luminescent Cd(ii) frameworks with pyridine-based and benzene-based bis-triazole ligands","CrystEngComm","2013","15","13","2490","","10.1039/c3ce26998a","","","0.71073","MoKα","","0.1273","0.0897","","","0.2631","0.3056","","","","","","1.099","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209705","40.9855","0.0003","40.9855","0.0003","40.9855","0.0003","90","","90","","90","","68847.9","0.9","213","2","213","2","","","","","","","","7","I -4 3 d","I -4bd 2c 3","220","Zn5((Tp)Fe(CN)3)6(H2O)3.25,4.75MeCN,2.125Et2O,2H2O","Zn5[(Tp)Fe(CN)3]6(H2O)3.25,4.75MeCN,2.125Et2O,2H2O","","- C90 H106 B6 Fe6 N58.75 O7.38 Zn5 -","- C90.003 H74.1 B6 Fe6 N58.734 O7.304 Zn5 -","- C1440.05 H1185.6 B96 Fe96 N939.744 O116.864 Zn80 -","16","0.333333","","Li, Yong-Hua; Min, Yong-Gang; Wang, Shi; Zuo, Jing-Lin; Wang, Lian-Hui; Huang, Wei","An unusual (3,4)-connected cubic-C3N4 type network constructed with [FeIII(Tp)(CN)3]− (Tp− = hydrotris(pyrazolyl)borate)","CrystEngComm","2013","15","19","3772","","10.1039/c3ce27001g","","","0.71073","MoKα","","0.0658","0.0495","","","0.1289","0.1352","","","","","","0.982","","","","has coordinates,has disorder","180428","2020-10-21","18:00:00",""
"7209706","20.073","0.004","20.073","0.004","15.195","0.006","90","","90","","120","","5302","3","223","2","223","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C36 H87 Cd3 Cl9 N24 O36 -","- C36 H36 Cd3 Cl9 N24 O24 -","- C108 H108 Cd9 Cl27 N72 O72 -","3","0.0833333","","Liang, Li-Li; Chen, Kai; Ji, Ning-Ning; Cheng, Xiao-Jie; Zhao, Yi; Xiao, Xin; Zhang, Yun-Qian; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Tetrachloride transition-metal dianion-induced coordination and supramolecular self-assembly of strontium dications to cucurbit[8]uril","CrystEngComm","2013","15","13","2416","","10.1039/c3ce27004a","","","0.71073","MoKα","","0.0877","0.0756","","","0.2116","0.2214","","","","","","1.065","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209707","12.6","0.03","12.647","0.014","12.733","0.013","106.08","0.03","105.57","0.05","104.49","0.05","1759","5","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H90 Cd3 Cl6 N24 O39 -","- C36 H36 Cd3 Cl6 N24 O30 -","- C36 H36 Cd3 Cl6 N24 O30 -","1","0.5","","Liang, Li-Li; Chen, Kai; Ji, Ning-Ning; Cheng, Xiao-Jie; Zhao, Yi; Xiao, Xin; Zhang, Yun-Qian; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Tetrachloride transition-metal dianion-induced coordination and supramolecular self-assembly of strontium dications to cucurbit[8]uril","CrystEngComm","2013","15","13","2416","","10.1039/c3ce27004a","","","0.71073","MoKα","","0.1668","0.1062","","","0.315","0.3672","","","","","","1.429","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209708","23.6197","0.0015","10.723","0.0006","29.6064","0.0017","90","","112.713","0.003","90","","6917","0.7","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H75 Cd2 Cl8 N24 Na3 O31 -","- C36 H36 Cd2 Cl8 N24 Na3 O18 -","- C144 H144 Cd8 Cl32 N96 Na12 O72 -","4","0.5","","Liang, Li-Li; Chen, Kai; Ji, Ning-Ning; Cheng, Xiao-Jie; Zhao, Yi; Xiao, Xin; Zhang, Yun-Qian; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Tetrachloride transition-metal dianion-induced coordination and supramolecular self-assembly of strontium dications to cucurbit[8]uril","CrystEngComm","2013","15","13","2416","","10.1039/c3ce27004a","","","0.71073","MoKα","","0.0641","0.0525","","","0.1556","0.1676","","","","","","1.068","","","","has coordinates,has disorder","180428","2020-10-21","18:00:00",""
"7209709","11.018","0.0005","12.4823","0.001","12.741","0.0006","107.495","0.002","108.015","0.001","97.391","0.002","1541.11","0.16","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H70 Cd2 Cl4 N24 O29 -","- C36 H36 Cd2 Cl4 N24 O16 -","- C36 H36 Cd2 Cl4 N24 O16 -","1","0.5","","Liang, Li-Li; Chen, Kai; Ji, Ning-Ning; Cheng, Xiao-Jie; Zhao, Yi; Xiao, Xin; Zhang, Yun-Qian; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Tetrachloride transition-metal dianion-induced coordination and supramolecular self-assembly of strontium dications to cucurbit[8]uril","CrystEngComm","2013","15","13","2416","","10.1039/c3ce27004a","","","0.71073","MoKα","","0.0389","0.0357","","","0.1045","0.1087","","","","","","1.089","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209710","14.3175","0.0003","14.402","0.0003","22.6162","0.0004","90","","100.498","0.001","90","","4585.42","0.16","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 Cd2 N O12 -","- C21 H21 Cd2 N O12 -","- C84 H84 Cd8 N4 O48 -","4","1","","Patra, Ranjan; Titi, Hatem M.; Goldberg, Israel","Coordination polymers of flexible poly-carboxylic acids with metal ions. IV. Syntheses, structures, and magnetic properties of polymeric networks of 5-(3,5)-(dicarboxybenzyloxy)isophthalic acid with Cd(ii), Cu(ii), Co(ii) and Mn(ii) ions","CrystEngComm","2013","15","15","2853","","10.1039/c3ce27006h","","","0.71073","MoKα","","0.0869","0.0541","","","0.138","0.1481","","","","","","0.886","","","","has coordinates,has disorder","180428","2020-10-21","18:00:00",""
"7209711","22.8595","0.0006","18.742","0.0006","29.669","0.001","90","","104.858","0.001","90","","12286.2","0.7","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C207 H102 Cu24 O129 -","- C207 H102 Cu24 O129 -","- C207 H102 Cu24 O129 -","1","0.25","","Patra, Ranjan; Titi, Hatem M.; Goldberg, Israel","Coordination polymers of flexible poly-carboxylic acids with metal ions. IV. Syntheses, structures, and magnetic properties of polymeric networks of 5-(3,5)-(dicarboxybenzyloxy)isophthalic acid with Cd(ii), Cu(ii), Co(ii) and Mn(ii) ions","CrystEngComm","2013","15","15","2853","","10.1039/c3ce27006h","","","0.71073","MoKα","","0.0608","0.0439","","","0.1175","0.1222","","","","","","0.911","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209712","16.8167","0.0003","14.2636","0.0003","12.007","0.0003","90","","118.469","0.0009","90","","2531.82","0.1","110","2","110","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H18 Co2 O14 -","- C17 H18 Co2 O14 -","- C68 H72 Co8 O56 -","4","0.5","","Patra, Ranjan; Titi, Hatem M.; Goldberg, Israel","Coordination polymers of flexible poly-carboxylic acids with metal ions. IV. Syntheses, structures, and magnetic properties of polymeric networks of 5-(3,5)-(dicarboxybenzyloxy)isophthalic acid with Cd(ii), Cu(ii), Co(ii) and Mn(ii) ions","CrystEngComm","2013","15","15","2853","","10.1039/c3ce27006h","","","0.71073","MoKα","","0.0733","0.0502","","","0.1387","0.1511","","","","","","0.982","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209713","16.8383","0.0005","14.7317","0.0004","11.9247","0.0004","90","","117.379","0.0012","90","","2626.65","0.14","110","2","110","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H18 Mn2 O14 -","- C17 H18 Mn2 O14 -","- C68 H72 Mn8 O56 -","4","0.5","","Patra, Ranjan; Titi, Hatem M.; Goldberg, Israel","Coordination polymers of flexible poly-carboxylic acids with metal ions. IV. Syntheses, structures, and magnetic properties of polymeric networks of 5-(3,5)-(dicarboxybenzyloxy)isophthalic acid with Cd(ii), Cu(ii), Co(ii) and Mn(ii) ions","CrystEngComm","2013","15","15","2853","","10.1039/c3ce27006h","","","0.71073","MoKα","","0.0747","0.0529","","","0.1448","0.1551","","","","","","1.003","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209714","27.6223","0.0007","10.1486","0.0002","16.6182","0.0005","90","","94.794","0.001","90","","4642.2","0.2","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H25 Cd3 N3 O17 -","- C34 H25 Cd3 N3 O17 -","- C136 H100 Cd12 N12 O68 -","4","0.5","","Patra, Ranjan; Titi, Hatem M.; Goldberg, Israel","Coordination polymers of flexible polycarboxylic acids with metal ions. V. polymeric frameworks of 5-(3,5-dicarboxybenzyloxy)-3-pyridine carboxylic acid with Cd(ii), Cu(ii), Co(ii), Mn(ii) and Ni(ii) ions; synthesis, structure, and magnetic properties","CrystEngComm","2013","15","15","2863","","10.1039/c3ce27023h","","","0.71073","MoKα","","0.0318","0.0256","","","0.0665","0.0699","","","","","","1.053","","","","has coordinates,has disorder","180428","2020-10-21","18:00:00",""
"7209715","11.6416","0.0007","14.9517","0.0009","16.6108","0.0011","90","","93.893","0.003","90","","2884.6","0.3","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H38 Cu3 N4 O18 -","- C38 H38 Cu3 N4 O18 -","- C76 H76 Cu6 N8 O36 -","2","0.5","","Patra, Ranjan; Titi, Hatem M.; Goldberg, Israel","Coordination polymers of flexible polycarboxylic acids with metal ions. V. polymeric frameworks of 5-(3,5-dicarboxybenzyloxy)-3-pyridine carboxylic acid with Cd(ii), Cu(ii), Co(ii), Mn(ii) and Ni(ii) ions; synthesis, structure, and magnetic properties","CrystEngComm","2013","15","15","2863","","10.1039/c3ce27023h","","","0.71073","MoKα","","0.059","0.0516","","","0.1712","0.1752","","","","","","1.355","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209716","12.5175","0.0002","17.86","0.0003","12.3435","0.0002","90","","112.601","0.0006","90","","2547.62","0.07","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H62 Co3 N4 O30 -","- C38 H62 Co3 N4 O30 -","- C76 H124 Co6 N8 O60 -","2","0.5","","Patra, Ranjan; Titi, Hatem M.; Goldberg, Israel","Coordination polymers of flexible polycarboxylic acids with metal ions. V. polymeric frameworks of 5-(3,5-dicarboxybenzyloxy)-3-pyridine carboxylic acid with Cd(ii), Cu(ii), Co(ii), Mn(ii) and Ni(ii) ions; synthesis, structure, and magnetic properties","CrystEngComm","2013","15","15","2863","","10.1039/c3ce27023h","","","0.71073","MoKα","","0.0739","0.048","","","0.1263","0.1434","","","","","","0.982","","","","has coordinates,has disorder","180428","2020-10-21","18:00:00",""
"7209717","12.663","0.0014","18.189","0.002","12.5528","0.0014","90","","113.388","0.005","90","","2653.7","0.5","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H32 Mn3 N2 O24 -","- C32 H32 Mn3 N2 O24 -","- C64 H64 Mn6 N4 O48 -","2","0.5","","Patra, Ranjan; Titi, Hatem M.; Goldberg, Israel","Coordination polymers of flexible polycarboxylic acids with metal ions. V. polymeric frameworks of 5-(3,5-dicarboxybenzyloxy)-3-pyridine carboxylic acid with Cd(ii), Cu(ii), Co(ii), Mn(ii) and Ni(ii) ions; synthesis, structure, and magnetic properties","CrystEngComm","2013","15","15","2863","","10.1039/c3ce27023h","","","0.71069","MoKα","","0.0539","0.0477","","","0.1593","0.1674","","","","","","0.978","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209718","12.4428","0.0004","17.7483","0.0006","12.2315","0.0003","90","","112.51","0.001","90","","2495.39","0.13","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H62 N4 Ni3 O30 -","- C38 H62 N4 Ni3 O30 -","- C76 H124 N8 Ni6 O60 -","2","0.5","","Patra, Ranjan; Titi, Hatem M.; Goldberg, Israel","Coordination polymers of flexible polycarboxylic acids with metal ions. V. polymeric frameworks of 5-(3,5-dicarboxybenzyloxy)-3-pyridine carboxylic acid with Cd(ii), Cu(ii), Co(ii), Mn(ii) and Ni(ii) ions; synthesis, structure, and magnetic properties","CrystEngComm","2013","15","15","2863","","10.1039/c3ce27023h","","","0.71073","MoKα","","0.0972","0.0521","","","0.1297","0.1462","","","","","","0.916","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209719","13.7904","0.0006","13.029","0.0005","16.7784","0.0007","90","","110.786","0.001","90","","2818.4","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,3-lutidinium pamoate THF solvate","","","- C34 H33 N O7 -","- C34 H33 N O7 -","- C136 H132 N4 O28 -","4","1","","Wahl, Helene; Haynes, Delia A.; Roex, Tanya le","Hydrate formation in pyridinium pamoate salts","CrystEngComm","2013","15","13","2450","","10.1039/c3ce27027k","","","0.71073","MoKα","","0.0815","0.0631","","","0.1745","0.1909","","","","","","1.067","","","","has coordinates,has disorder","180428","2020-10-21","18:00:00",""
"7209720","10.866","0.0012","24.737","0.003","11.8896","0.0013","90","","96.584","0.001","90","","3174.8","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,4-lutidinium pamoate dihydrate","","","- C37 H37.36 N2 O7.68 -","- C37 H37.354 N2 O7.677 -","- C148 H149.416 N8 O30.708 -","4","1","","Wahl, Helene; Haynes, Delia A.; Roex, Tanya le","Hydrate formation in pyridinium pamoate salts","CrystEngComm","2013","15","13","2450","","10.1039/c3ce27027k","","","0.71073","MoKα","","0.0496","0.0399","","","0.1004","0.1074","","","","","","1.062","","","","has coordinates,has disorder","180428","2020-10-21","18:00:00",""
"7209721","22.064","0.003","19.904","0.002","14.513","0.0017","90","","115.221","0.002","90","","5766","1.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","3-picolinium pamoate hydrate THF solvate","","","- C33 H32 N O7.5 -","- C33 H26 N O7.5 -","- C264 H208 N8 O60 -","8","1","","Wahl, Helene; Haynes, Delia A.; Roex, Tanya le","Hydrate formation in pyridinium pamoate salts","CrystEngComm","2013","15","13","2450","","10.1039/c3ce27027k","","","0.71073","MoKα","","0.0862","0.0551","","","0.1295","0.1509","","","","","","1.048","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7209722","22.221","0.003","19.525","0.003","14.438","0.002","90","","115.645","0.002","90","","5647.1","1.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","4-picolinium pamoate hydrate THF solvate","","","- C33 H32 N O7.5 -","- C33 H30 N O7.5 -","- C264 H240 N8 O60 -","8","1","","Wahl, Helene; Haynes, Delia A.; Roex, Tanya le","Hydrate formation in pyridinium pamoate salts","CrystEngComm","2013","15","13","2450","","10.1039/c3ce27027k","","","0.71073","MoKα","","0.0829","0.0493","","","0.1142","0.1347","","","","","","1.033","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7209723","13.445","0.0013","14","0.0013","13.8229","0.0013","90","","114.612","0.001","90","","2365.5","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,3-lutidinium pamoate","","","- C30 H25 N O6 -","- C30 H25 N O6 -","- C120 H100 N4 O24 -","4","1","","Wahl, Helene; Haynes, Delia A.; Roex, Tanya le","Hydrate formation in pyridinium pamoate salts","CrystEngComm","2013","15","13","2450","","10.1039/c3ce27027k","","","0.71073","MoKα","","0.0504","0.0386","","","0.0939","0.1018","","","","","","1.045","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209724","13.7002","0.001","13.2762","0.001","16.7596","0.0012","90","","112.418","0.001","90","","2818","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-picolinium pamoate NMP solvate","","","- C34 H32 N2 O7 -","- C34 H32 N2 O7 -","- C136 H128 N8 O28 -","4","1","","Wahl, Helene; Haynes, Delia A.; Roex, Tanya le","Hydrate formation in pyridinium pamoate salts","CrystEngComm","2013","15","13","2450","","10.1039/c3ce27027k","","","0.71073","MoKα","","0.0892","0.0517","","","0.1222","0.144","","","","","","1.033","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209725","7.3335","0.0006","5.8827","0.0004","12.8465","0.0009","90","","99.79","0.007","90","","546.14","0.07","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H13 N O4 -","- C11 H13 N O4 -","- C22 H26 N2 O8 -","2","1","","Li, Xinfa; Zhao, Huajun; Zeng, Qihua","Chirality and absolute helicity in a pair of enantiomeric amino acid derivatives and their complexes: structures, chiroptical, and photoluminescent properties","CrystEngComm","2013","15","18","3593","","10.1039/c3ce27028a","","","0.71073","MoKα","","0.0508","0.0337","","","0.0585","0.0606","","","","","","1.012","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209726","7.5402","0.0002","7.5402","0.0002","22.7232","0.0001","90","","90","","90","","1291.92","0.05","293","2","293","2","","","","","","","","5","P 43","P 4cw","78","","","","- C11 H15 Cu N O6 -","- C11 H15 Cu N O6 -","- C44 H60 Cu4 N4 O24 -","4","1","","Li, Xinfa; Zhao, Huajun; Zeng, Qihua","Chirality and absolute helicity in a pair of enantiomeric amino acid derivatives and their complexes: structures, chiroptical, and photoluminescent properties","CrystEngComm","2013","15","18","3593","","10.1039/c3ce27028a","","","0.71073","MoKα","","0.037","0.0356","","","0.0832","0.0845","","","","","","1.008","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209727","7.5385","0.00001","7.5385","0.00001","22.7308","0.0001","90","","90","","90","","1291.77","0.006","293","2","293","2","","","","","","","","5","P 41","P 4w","76","","","","- C11 H15 Cu N O6 -","- C11 H15 Cu N O6 -","- C44 H60 Cu4 N4 O24 -","4","1","","Li, Xinfa; Zhao, Huajun; Zeng, Qihua","Chirality and absolute helicity in a pair of enantiomeric amino acid derivatives and their complexes: structures, chiroptical, and photoluminescent properties","CrystEngComm","2013","15","18","3593","","10.1039/c3ce27028a","","","0.71073","MoKα","","0.033","0.0298","","","0.0632","0.0649","","","","","","1.004","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209728","5.8266","0.0002","17.2093","0.0007","23.5764","0.0001","90","","90","","90","","2364.05","0.13","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 Cd N2 O11 -","- C22 H30 Cd N2 O11 -","- C88 H120 Cd4 N8 O44 -","4","1","","Li, Xinfa; Zhao, Huajun; Zeng, Qihua","Chirality and absolute helicity in a pair of enantiomeric amino acid derivatives and their complexes: structures, chiroptical, and photoluminescent properties","CrystEngComm","2013","15","18","3593","","10.1039/c3ce27028a","","","0.71073","MoKα","","0.0593","0.0378","","","0.0763","0.084","","","","","","1.001","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209729","21.79","0.001","21.79","0.001","6.9741","0.0005","90","","90","","90","","3311.3","0.3","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","[Zn(tzeg)]n","[Zn(tzeg)]n","","- C5 H7 N5 O2 Zn -","- C5 H7 N5 O2 Zn -","- C80 H112 N80 O32 Zn16 -","16","1","","Wang, Shuai-Hua; Zheng, Fa-Kun; Wu, Mei-Feng; Liu, Zhi-Fa; Chen, Jun; Guo, Guo-Cong; Wu, A-Qing","Hydrothermal syntheses, crystal structures and physical properties of a new family of energetic coordination polymers with nitrogen-rich ligand N-[2-(1H-tetrazol-5-yl)ethyl]glycine","CrystEngComm","2013","15","14","2616","","10.1039/c3ce27048c","","","0.71073","MoKα","","0.0324","0.0297","","","0.0742","0.0758","","","","","","1.008","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209730","18.904","0.005","7.5712","0.0015","14.406","0.004","90","","120.575","0.019","90","","1775.2","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Cd(tzeg)(H2O)]n","","","- C5 H9 Cd N5 O3 -","- C5 H9 Cd N5 O3 -","- C40 H72 Cd8 N40 O24 -","8","1","","Wang, Shuai-Hua; Zheng, Fa-Kun; Wu, Mei-Feng; Liu, Zhi-Fa; Chen, Jun; Guo, Guo-Cong; Wu, A-Qing","Hydrothermal syntheses, crystal structures and physical properties of a new family of energetic coordination polymers with nitrogen-rich ligand N-[2-(1H-tetrazol-5-yl)ethyl]glycine","CrystEngComm","2013","15","14","2616","","10.1039/c3ce27048c","","","0.71073","MoKα","","0.0313","0.026","","","0.0643","0.0675","","","","","","1.009","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209731","18.672","0.009","7.359","0.003","14.81","0.007","90","","125.297","0.005","90","","1660.9","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Cu(tzeg)(H2O)]n","[Cu(tzeg)(H2O)]n","","- C5 H9 Cu N5 O3 -","- C5 H9 Cu N5 O3 -","- C40 H72 Cu8 N40 O24 -","8","1","","Wang, Shuai-Hua; Zheng, Fa-Kun; Wu, Mei-Feng; Liu, Zhi-Fa; Chen, Jun; Guo, Guo-Cong; Wu, A-Qing","Hydrothermal syntheses, crystal structures and physical properties of a new family of energetic coordination polymers with nitrogen-rich ligand N-[2-(1H-tetrazol-5-yl)ethyl]glycine","CrystEngComm","2013","15","14","2616","","10.1039/c3ce27048c","","","0.71073","MoKα","","0.0346","0.0279","","","0.0686","0.0728","","","","","","1.002","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209732","11.5417","0.001","19.8125","0.0017","15.9144","0.0014","90","","99.277","0.002","90","","3591.5","0.5","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H29 N7 O3 Zn -","- C36 H29 N7 O3 Zn -","- C144 H116 N28 O12 Zn4 -","4","1","","Xu, Guan-Cheng; Zhang, Li; Zhang, Yan-Hui; Guo, Ji-Xi; Shi, Man-Qi; Jia, Dian-Zeng","Syntheses, crystal structures and luminescent properties of four Zn(ii) coordination polymers with pyrazolone derivatives and 4,4′-bipyridine","CrystEngComm","2013","15","15","2873","","10.1039/c3ce27049a","","","0.71073","MoKα","","0.0648","0.0475","","","0.1288","0.1496","","","","","","1.126","","","","has coordinates,has disorder","180428","2020-10-21","18:00:00",""
"7209733","10.3255","0.0006","17.0424","0.0008","19.2023","0.001","90","","105.25","0.001","90","","3260.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35.52 H29.08 N7 O4.52 Zn -","- C35.52 H29.08 N7 O4.52 Zn -","- C142.08 H116.32 N28 O18.08 Zn4 -","4","1","","Xu, Guan-Cheng; Zhang, Li; Zhang, Yan-Hui; Guo, Ji-Xi; Shi, Man-Qi; Jia, Dian-Zeng","Syntheses, crystal structures and luminescent properties of four Zn(ii) coordination polymers with pyrazolone derivatives and 4,4′-bipyridine","CrystEngComm","2013","15","15","2873","","10.1039/c3ce27049a","","","0.71073","MoKα","","0.1059","0.0764","","","0.1987","0.2235","","","","","","1.056","","","","has coordinates,has disorder","180428","2020-10-21","18:00:00",""
"7209734","10.0345","0.0002","17.8774","0.0005","18.5558","0.0004","90","","91.106","0.001","90","","3328.12","0.13","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H33 N7 O5 Zn -","- C37 H33 N7 O5 Zn -","- C148 H132 N28 O20 Zn4 -","4","1","","Xu, Guan-Cheng; Zhang, Li; Zhang, Yan-Hui; Guo, Ji-Xi; Shi, Man-Qi; Jia, Dian-Zeng","Syntheses, crystal structures and luminescent properties of four Zn(ii) coordination polymers with pyrazolone derivatives and 4,4′-bipyridine","CrystEngComm","2013","15","15","2873","","10.1039/c3ce27049a","","","0.71073","MoKα","","0.0841","0.0442","","","0.1005","0.1436","","","","","","1.171","","","","has coordinates,has disorder","180428","2020-10-21","18:00:00",""
"7209735","22.1947","0.0006","12.6975","0.0003","28.1501","0.0006","90","","112.104","0.001","90","","7350.1","0.3","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C80 H73 N16 O9 Zn3 -","- C80 H61 N16 O9 Zn3 -","- C320 H244 N64 O36 Zn12 -","4","1","","Xu, Guan-Cheng; Zhang, Li; Zhang, Yan-Hui; Guo, Ji-Xi; Shi, Man-Qi; Jia, Dian-Zeng","Syntheses, crystal structures and luminescent properties of four Zn(ii) coordination polymers with pyrazolone derivatives and 4,4′-bipyridine","CrystEngComm","2013","15","15","2873","","10.1039/c3ce27049a","","","0.71073","MoKα","","0.1035","0.0576","","","0.1408","0.1787","","","","","","1.091","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209736","7.0862","0.0005","9.8582","0.0007","12.1267","0.0008","71.132","0.004","83.785","0.004","86.867","0.004","796.73","0.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H3 Bi3 Cu N4 O11 -","- C10 H3 Bi3 Cu N4 O11 -","- C20 H6 Bi6 Cu2 N8 O22 -","2","1","","SHI, Fa-Nian; Silva, Ana Rosa; Yang, Ting-Hai; Rocha, João","Mixed Cu(ii)‒Bi(iii) metal organic framework with a 2D inorganic subnetwork and its catalytic activity","CrystEngComm","2013","15","19","3776","","10.1039/c3ce27056d","","","0.71073","MoKα","","0.0604","0.0414","","","0.0887","0.0955","","","","","","1.044","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209737","11.8179","0.001","11.8179","0.001","37.714","0.005","90","","90","","90","","5267.2","0.9","296","2","296","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C20 H25 Co N4 O11 -","- C20 H13 Co N4 O11 -","- C160 H104 Co8 N32 O88 -","8","0.5","","Liu, Yong-Liang; Yue, Ke-Fen; Li, Dong-Sheng; Yu, Yang; Hou, Lei; Wang, Yao-Yu","The first one-fold inclined 1D →3D polycatenation assembly from unique interweaving triple-stranded helices","CrystEngComm","2013","15","15","2791","","10.1039/c3ce27061k","","","0.71073","MoKα","","0.1195","0.0659","","","0.1745","0.2097","","","","","","1.012","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209738","19.362","0.0003","19.362","0.0003","19.362","0.0003","90","","90","","90","","7258.56","0.19","293","2","293","2","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C1.5 H0.5 Cd0.25 Cl0.06 N2 O0.25 -","- C1.5 H0.5 Cd0.25 Cl0.0625 N2 O0.25 -","- C72 H24 Cd12 Cl3 N96 O12 -","48","1","","Liao, Ju-Hsiou; Chen, Wan-Ting; Tsai, Cherng-Shiaw; Wang, Chih-Chieh","Characterization, adsorption properties, metal ion-exchange and crystal-to-crystal transformation of Cd3[(Cd4Cl)3(BTT)8(H2O)12]2 framework, where BTT3− = 1,3,5-benzenetristetrazolate","CrystEngComm","2013","15","17","3377","","10.1039/c3ce27063g","","","0.71073","MoKα","","0.0295","0.0268","","","0.0701","0.0718","","","","","","1.131","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209739","19.2945","0.0002","19.2945","0.0002","19.2945","0.0002","90","","90","","90","","7182.91","0.13","423","2","423","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C1.5 H0.5 Cd0.29 Cl0.13 N2 -","- C1.5 H0.5 Cd0.29 Cl0.125 N2 -","- C72 H24 Cd13.92 Cl6 N96 -","48","1","","Liao, Ju-Hsiou; Chen, Wan-Ting; Tsai, Cherng-Shiaw; Wang, Chih-Chieh","Characterization, adsorption properties, metal ion-exchange and crystal-to-crystal transformation of Cd3[(Cd4Cl)3(BTT)8(H2O)12]2 framework, where BTT3− = 1,3,5-benzenetristetrazolate","CrystEngComm","2013","15","17","3377","","10.1039/c3ce27063g","","","0.71073","MoKα","","0.0606","0.0558","","","0.164","0.1698","","","","","","1.257","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209740","18.7976","0.0003","18.7976","0.0003","18.7976","0.0003","90","","90","","90","","6642.13","0.18","293","2","293","2","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C1.5 H0.5 Cl0.06 Co0.29 N2 O0.25 -","- C1.5 H0.5 Cl0.0625 Co0.28 N2 O0.25 -","- C72 H24 Cl3 Co13.44 N96 O12 -","48","1","","Liao, Ju-Hsiou; Chen, Wan-Ting; Tsai, Cherng-Shiaw; Wang, Chih-Chieh","Characterization, adsorption properties, metal ion-exchange and crystal-to-crystal transformation of Cd3[(Cd4Cl)3(BTT)8(H2O)12]2 framework, where BTT3− = 1,3,5-benzenetristetrazolate","CrystEngComm","2013","15","17","3377","","10.1039/c3ce27063g","","","0.71073","MoKα","","0.0702","0.0653","","","0.1889","0.1939","","","","","","1.123","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209741","18.5015","0.0003","18.5015","0.0003","18.5015","0.0003","90","","90","","90","","6333.17","0.18","423","2","423","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C1.5 H0.5 Cl0.19 Co0.31 N2 -","- C1.5 H0.5 Cl0.1875 Co0.315 N2 -","- C72 H24 Cl9 Co15.12 N96 -","48","1","","Liao, Ju-Hsiou; Chen, Wan-Ting; Tsai, Cherng-Shiaw; Wang, Chih-Chieh","Characterization, adsorption properties, metal ion-exchange and crystal-to-crystal transformation of Cd3[(Cd4Cl)3(BTT)8(H2O)12]2 framework, where BTT3− = 1,3,5-benzenetristetrazolate","CrystEngComm","2013","15","17","3377","","10.1039/c3ce27063g","","","0.71073","MoKα","","0.0942","0.0873","","","0.2512","0.2583","","","","","","1.221","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209742","18.6483","0.0003","18.6483","0.0003","18.6483","0.0003","90","","90","","90","","6485.12","0.18","294","2","294","2","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C1.5 H0.5 Cl0.13 N2 Ni0.31 O0.25 -","- C1.5 H0.5 Cl0.1275 N2 Ni0.315 O0.25 -","- C72 H24 Cl6.12 N96 Ni15.12 O12 -","48","1","","Liao, Ju-Hsiou; Chen, Wan-Ting; Tsai, Cherng-Shiaw; Wang, Chih-Chieh","Characterization, adsorption properties, metal ion-exchange and crystal-to-crystal transformation of Cd3[(Cd4Cl)3(BTT)8(H2O)12]2 framework, where BTT3− = 1,3,5-benzenetristetrazolate","CrystEngComm","2013","15","17","3377","","10.1039/c3ce27063g","","","0.71073","MoKα","","0.0723","0.0675","","","0.2012","0.2056","","","","","","1.106","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209743","18.5564","0.0003","18.5564","0.0003","18.5564","0.0003","90","","90","","90","","6389.71","0.18","423","2","423","2","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C1.5 H0.5 Cl0.1 N2 Ni0.42 O0.38 -","- C1.5 H0.5 Cl0.1125 N2 Ni0.415 O0.375 -","- C72 H24 Cl5.4 N96 Ni19.92 O18 -","48","1","","Liao, Ju-Hsiou; Chen, Wan-Ting; Tsai, Cherng-Shiaw; Wang, Chih-Chieh","Characterization, adsorption properties, metal ion-exchange and crystal-to-crystal transformation of Cd3[(Cd4Cl)3(BTT)8(H2O)12]2 framework, where BTT3− = 1,3,5-benzenetristetrazolate","CrystEngComm","2013","15","17","3377","","10.1039/c3ce27063g","","","0.71073","MoKα","","0.0801","0.0525","","","0.1491","0.1866","","","","","","1.183","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209744","12.1273","0.0011","13.8348","0.0014","20.0191","0.0018","73.539","0.006","73.108","0.006","70.312","0.006","2961.2","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C134 H104 Cr2 Mn2 N20 O10 -","- C134 H104 Cr2 Mn2 N20 O10 -","- C134 H104 Cr2 Mn2 N20 O10 -","1","0.5","","Zhang, Daopeng; Zhao, Zengdian; Wang, Ping; Ni, Zhonghai","Substituent group tuned tri- and binuclear porphyrin-based cyanide-bridged bimetallic complexes: synthesis, crystal structures and magnetic properties","CrystEngComm","2013","15","13","2504","","10.1039/c3ce27064e","","","0.71073","MoKα","","0.1773","0.069","","","0.1617","0.2169","","","","","","1.015","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209745","15.0704","0.0004","19.5784","0.0005","20.9873","0.0006","70.3","0.001","80.675","0.001","87.877","0.001","5751.9","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C134 H104 Co2 Mn2 N20 O10 -","- C134 H104 Co2 Mn2 N20 O10 -","- C268 H208 Co4 Mn4 N40 O20 -","2","1","","Zhang, Daopeng; Zhao, Zengdian; Wang, Ping; Ni, Zhonghai","Substituent group tuned tri- and binuclear porphyrin-based cyanide-bridged bimetallic complexes: synthesis, crystal structures and magnetic properties","CrystEngComm","2013","15","13","2504","","10.1039/c3ce27064e","","","0.71073","MoKα","","0.0624","0.0459","","","0.1418","0.1577","","","","","","1.002","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209746","15.0924","0.0007","19.7862","0.0009","21.0071","0.0011","70.461","0.003","81.22","0.003","88.865","0.003","5839.4","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C134 H104 Cr2 Mn2 N20 O10 -","- C134 H104 Cr2 Mn2 N20 O10 -","- C268 H208 Cr4 Mn4 N40 O20 -","2","1","","Zhang, Daopeng; Zhao, Zengdian; Wang, Ping; Ni, Zhonghai","Substituent group tuned tri- and binuclear porphyrin-based cyanide-bridged bimetallic complexes: synthesis, crystal structures and magnetic properties","CrystEngComm","2013","15","13","2504","","10.1039/c3ce27064e","","","0.71073","MoKα","","0.0635","0.0447","","","0.1311","0.1615","","","","","","1.028","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209747","12.0132","0.0018","13.8829","0.0019","19.838","0.003","72.979","0.002","73.582","0.002","70.255","0.002","2914.9","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C134 H108 Co2 Mn2 N20 O12 -","- C134 H108 Co2 Mn2 N20 O12 -","- C134 H108 Co2 Mn2 N20 O12 -","1","0.5","","Zhang, Daopeng; Zhao, Zengdian; Wang, Ping; Ni, Zhonghai","Substituent group tuned tri- and binuclear porphyrin-based cyanide-bridged bimetallic complexes: synthesis, crystal structures and magnetic properties","CrystEngComm","2013","15","13","2504","","10.1039/c3ce27064e","","","0.71073","MoKα","","0.1117","0.0722","","","0.2041","0.2383","","","","","","1.017","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209748","15.9553","0.0014","17.9118","0.0016","24.897","0.002","90","","99.081","0.005","90","","7026.1","1","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C68 H52 Cl4 Co Mn N10 O6 -","- C68 H52 Cl4 Co Mn N10 O6 -","- C272 H208 Cl16 Co4 Mn4 N40 O24 -","4","1","","Zhang, Daopeng; Zhao, Zengdian; Wang, Ping; Ni, Zhonghai","Substituent group tuned tri- and binuclear porphyrin-based cyanide-bridged bimetallic complexes: synthesis, crystal structures and magnetic properties","CrystEngComm","2013","15","13","2504","","10.1039/c3ce27064e","","","0.71073","MoKα","","0.0791","0.0581","","","0.1727","0.1878","","","","","","1.055","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209749","16.102","0.004","18.12","0.004","24.444","0.005","90","","99.438","0.004","90","","7035","3","273","2","273","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C65 H44 Cl4 Cr Mn N10 O5 -","- C65 H44 Cl4 Cr Mn N10 O5 -","- C260 H176 Cl16 Cr4 Mn4 N40 O20 -","4","1","","Zhang, Daopeng; Zhao, Zengdian; Wang, Ping; Ni, Zhonghai","Substituent group tuned tri- and binuclear porphyrin-based cyanide-bridged bimetallic complexes: synthesis, crystal structures and magnetic properties","CrystEngComm","2013","15","13","2504","","10.1039/c3ce27064e","","","0.71073","MoKα","","0.1894","0.0759","","","0.172","0.226","","","","","","1.005","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209750","8.974","0.0018","9.951","0.002","29.751","0.006","90","","90.34","0.03","90","","2656.7","0.9","293","2","293","2","","","","","","","","4","P 1 c 1","P -2yc","7","","1-(5-(pyren-1-yl)-3-(4-methoxyphenyl)-4,5-dihydropyrazol-1-yl)ethanone-phenol co-crystal","","- C34 H28 N2 O3 -","- C34 H28 N2 O3 -","- C136 H112 N8 O12 -","4","2","","Feng, Qi; Wang, Mingliang; Dong, Baoli; Xu, Chunxiang; Zhao, Jing; Zhang, Hongjuan","Tuning solid-state fluorescence of pyrene derivatives via a cocrystal strategy","CrystEngComm","2013","15","18","3623","","10.1039/c3ce27102a","","","0.71073","MoKα","","0.1614","0.0788","","","0.1346","0.1651","","","","","","1","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209751","8.7264","0.0017","13.335","0.003","19.06","0.004","84.69","0.03","86.33","0.03","75.72","0.03","2138.2","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-(5-(pyren-1-yl)-3-(4-methoxyphenyl)-4,5-dihydropyrazol-1-yl)ethanone","","- C28 H22 N2 O2 -","- C28 H22 N2 O2 -","- C112 H88 N8 O8 -","4","2","","Feng, Qi; Wang, Mingliang; Dong, Baoli; Xu, Chunxiang; Zhao, Jing; Zhang, Hongjuan","Tuning solid-state fluorescence of pyrene derivatives via a cocrystal strategy","CrystEngComm","2013","15","18","3623","","10.1039/c3ce27102a","","","0.71073","MoKα","","0.1317","0.0667","","","0.1656","0.1947","","","","","","1.034","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209752","10.133","0.002","8.776","0.0018","16.458","0.003","90","","92.6","0.03","90","","1462.1","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-(5-(pyren-1-yl)-3-(4-methoxyphenyl)-4,5-dihydropyrazol- 1-yl)ethanone-2-naphthol co-crystal","","- C38 H30 N2 O3 -","- C38 H30 N2 O3 -","- C76 H60 N4 O6 -","2","1","","Feng, Qi; Wang, Mingliang; Dong, Baoli; Xu, Chunxiang; Zhao, Jing; Zhang, Hongjuan","Tuning solid-state fluorescence of pyrene derivatives via a cocrystal strategy","CrystEngComm","2013","15","18","3623","","10.1039/c3ce27102a","","","0.71073","MoKα","","0.1318","0.0651","","","0.1142","0.1343","","","","","","1.002","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209753","5.6999","0.0002","6.5428","0.0003","23.1874","0.001","90","","94.835","0.004","90","","861.66","0.06","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-Prolinium cocrystal of S-Naproxen","(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid - S-pyrrolidinium-2-carboxylate (1:1)","","- C19 H23 N O5 -","- C19 H23 N O5 -","- C38 H46 N2 O10 -","2","1","","Tilborg, Anaëlle; Springuel, Géraldine; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","On the influence of using a zwitterionic coformer for cocrystallization: structural focus on naproxen‒proline cocrystals","CrystEngComm","2013","15","17","3341","","10.1039/c3ce40084k","","","1.54184","CuKα","","0.0411","0.0389","","","0.1136","0.1168","","","","","","1.097","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209754","5.7713","0.0002","6.252","0.0003","23.8346","0.0011","90","","92.047","0.004","90","","859.46","0.06","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","D-Prolinium cocrystal of S-Naproxen","(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid - R-pyrrolidinium-2-carboxylate (1:1)","","- C19 H23 N O5 -","- C19 H23 N O5 -","- C38 H46 N2 O10 -","2","1","","Tilborg, Anaëlle; Springuel, Géraldine; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","On the influence of using a zwitterionic coformer for cocrystallization: structural focus on naproxen‒proline cocrystals","CrystEngComm","2013","15","17","3341","","10.1039/c3ce40084k","","","1.54184","CuKα","","0.0658","0.0642","","","0.1795","0.1811","","","","","","1.064","","","","has coordinates,has disorder","180428","2020-10-21","18:00:00",""
"7209755","6.1054","0.0002","12.475","0.0005","49.1664","0.0013","90","","90","","90","","3744.8","0.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","DL-Prolinium cocrystal of RS-Naproxen","Pyrrolidinium-2-carboxylate-2-(6-methoxynaphthalen-2-yl)propanoic acid hydrate(1:1:1)","","- C19 H25 N O6 -","- C19 H25 N O6 -","- C152 H200 N8 O48 -","8","1","","Tilborg, Anaëlle; Springuel, Géraldine; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","On the influence of using a zwitterionic coformer for cocrystallization: structural focus on naproxen‒proline cocrystals","CrystEngComm","2013","15","17","3341","","10.1039/c3ce40084k","","","1.54184","CuKα","","0.0717","0.0524","","","0.1415","0.1566","","","","","","1.026","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209756","13.122","0.002","5.898","0.001","24.075","0.003","90","","95.56","0.005","90","","1854.5","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-Prolinium cocrystal of RS-Naproxen","Pyrrolidinium-2-carboxylate-2-(6-methoxynaphthalen-2-yl)propanoic acid hydrate(1:1:1)","","- C19 H25 N O6 -","- C19 H25 N O6 -","- C76 H100 N4 O24 -","4","2","","Tilborg, Anaëlle; Springuel, Géraldine; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","On the influence of using a zwitterionic coformer for cocrystallization: structural focus on naproxen‒proline cocrystals","CrystEngComm","2013","15","17","3341","","10.1039/c3ce40084k","","","0.71073","MoKα","","0.05","0.0421","","","0.1052","0.1124","","","","","","0.832","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7209757","12.1297","0.0004","13.0897","0.0004","14.3302","0.0006","91.39","0.003","98.373","0.003","90.423","0.002","2250.21","0.14","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C92 H73.6 Cd4 Cl2 N18 Na0.4 O26 -","- C92 H64 Cd4 Cl2 N18 Na0.4 O26 -","- C92 H64 Cd4 Cl2 N18 Na0.4 O26 -","1","0.5","","Wang, Wei; Kan, Wei-Qiu; Yang, Jin; Ma, Jian-Fang","A series of coordination polymers assembled from d10 metals and a new multidentate N-donor ligand: syntheses, structures, and photoluminescent properties","CrystEngComm","2013","15","19","3824","","10.1039/c3ce40119g","","","0.71073","MoKα","","0.0488","0.0374","","","0.0889","0.0955","","","","","","1.019","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209758","12.138","0.0007","13.146","0.0007","14.321","0.0008","91.158","0.005","98.911","0.005","90.567","0.004","2256.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H72 Cd4 N18 O25 -","- C84 H60 Cd4 N18 O25 -","- C84 H60 Cd4 N18 O25 -","1","0.5","","Wang, Wei; Kan, Wei-Qiu; Yang, Jin; Ma, Jian-Fang","A series of coordination polymers assembled from d10 metals and a new multidentate N-donor ligand: syntheses, structures, and photoluminescent properties","CrystEngComm","2013","15","19","3824","","10.1039/c3ce40119g","","","0.71069","MoKα","","0.0856","0.0567","","","0.1438","0.1627","","","","","","1.043","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209759","10.6682","0.0006","13.4763","0.0007","15.2036","0.0005","94.98","0.004","105.397","0.004","110.916","0.005","1928.04","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H64 N18 O19 Zn2 -","- C84 H62 N18 O19 Zn2 -","- C84 H62 N18 O19 Zn2 -","1","0.5","","Wang, Wei; Kan, Wei-Qiu; Yang, Jin; Ma, Jian-Fang","A series of coordination polymers assembled from d10 metals and a new multidentate N-donor ligand: syntheses, structures, and photoluminescent properties","CrystEngComm","2013","15","19","3824","","10.1039/c3ce40119g","","","0.71073","MoKα","","0.0686","0.0462","","","0.0996","0.1102","","","","","","1.026","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209760","10.927","0.0008","13.416","0.0007","14.968","0.001","90.755","0.005","109.04","0.006","103.885","0.005","2003.6","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H62 N18 O17 Zn2 -","- C76 H44 N18 O18 Zn2 -","- C76 H44 N18 O18 Zn2 -","1","0.5","","Wang, Wei; Kan, Wei-Qiu; Yang, Jin; Ma, Jian-Fang","A series of coordination polymers assembled from d10 metals and a new multidentate N-donor ligand: syntheses, structures, and photoluminescent properties","CrystEngComm","2013","15","19","3824","","10.1039/c3ce40119g","","","0.71073","MoKα","","0.1462","0.0883","","","0.1751","0.1981","","","","","","1.074","","","","has coordinates,has disorder","180428","2020-10-21","18:00:00",""
"7209761","10.312","0.0011","15.257","0.0013","15.919","0.0018","61.382","0.01","73.331","0.009","74.962","0.008","2083.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H68 N18 O18 Zn2 -","- C88 H66 N18 O18 Zn2 -","- C88 H66 N18 O18 Zn2 -","1","0.5","","Wang, Wei; Kan, Wei-Qiu; Yang, Jin; Ma, Jian-Fang","A series of coordination polymers assembled from d10 metals and a new multidentate N-donor ligand: syntheses, structures, and photoluminescent properties","CrystEngComm","2013","15","19","3824","","10.1039/c3ce40119g","","","0.71069","MoKα","","0.1219","0.0751","","","0.1718","0.199","","","","","","1.074","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209762","10.44","0.0005","14.925","0.0009","15.176","0.0006","65.274","0.005","75.741","0.004","71.068","0.005","2014.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H68 N18 O14 Zn2 -","- C88 H48 N18 O14 Zn2 -","- C88 H48 N18 O14 Zn2 -","1","0.5","","Wang, Wei; Kan, Wei-Qiu; Yang, Jin; Ma, Jian-Fang","A series of coordination polymers assembled from d10 metals and a new multidentate N-donor ligand: syntheses, structures, and photoluminescent properties","CrystEngComm","2013","15","19","3824","","10.1039/c3ce40119g","","","0.71073","MoKα","","0.1248","0.0707","","","0.161","0.1933","","","","","","1.017","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209763","25.601","0.0013","23.058","0.0008","17.317","0.0009","90","","116.446","0.007","90","","9152.6","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C76 H78 Cd4 N18 O30 -","- C76 H58 Cd4 N18 O30 -","- C304 H232 Cd16 N72 O120 -","4","0.5","","Wang, Wei; Kan, Wei-Qiu; Yang, Jin; Ma, Jian-Fang","A series of coordination polymers assembled from d10 metals and a new multidentate N-donor ligand: syntheses, structures, and photoluminescent properties","CrystEngComm","2013","15","19","3824","","10.1039/c3ce40119g","","","0.71069","MoKα","","0.0742","0.0513","","","0.1439","0.1631","","","","","","1.047","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209764","8.503","0.013","11.983","0.017","15.39","0.02","90","","90.509","0.018","90","","1568","4","301","2","301","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C3 H12 Bi Cl3 N6 S3 -","- C3 H12 Bi Cl3 N6 S3 -","- C12 H48 Bi4 Cl12 N24 S12 -","4","1","","Li, Ming; Li, R. K.","Crystal growth and characterization of a new polymorph of bismuth trithiourea chloride","CrystEngComm","2013","15","20","4176","","10.1039/c3ce40121a","","","0.71075","MoKα","","0.0643","0.0496","","","0.1012","0.109","","","","","","1.071","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209765","13.593","0.0011","13.593","0.0011","7.1406","0.0011","90","","90","","120","","1142.6","0.2","299","2","299","2","","","","","","","","6","P 3","P 3","143","","","","- C3 H12 Bi Cl3 N6 S3 -","- C3 H12 Bi Cl3 N6 S3 -","- C9 H36 Bi3 Cl9 N18 S9 -","3","1","","Li, Ming; Li, R. K.","Crystal growth and characterization of a new polymorph of bismuth trithiourea chloride","CrystEngComm","2013","15","20","4176","","10.1039/c3ce40121a","","","0.71075","MoKα","","0.0672","0.0481","","","0.0703","0.0765","","","","","","1.111","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209766","16.091","0.012","8.987","0.006","24.71","0.013","90","","128.62","0.03","90","","2792","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 Co N4 Ni O10 -","- C28 H25 Co N4 Ni O10 -","- C112 H100 Co4 N16 Ni4 O40 -","4","1","","Li, Xiao-Zeng; Hao, Peng-Peng; Wang, Dan; Zhu, Li-Na","Analysis of factors governing the formation of single-stranded helical coordination polymers from a macrocyclic metalloligand and Ca2+, Mn2+, Fe2+, Co2+, Ni2+, Cu2+, Zn2+ and Pb2+","CrystEngComm","2013","15","15","2800","","10.1039/c3ce40124c","","","0.71073","MoKα","","0.0666","0.0517","","","0.1686","0.1763","","","","","","1.04","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209767","15.674","0.003","8.6916","0.0017","19.06","0.004","90","","91.3","0.03","90","","2595.9","0.9","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 Cu N4 Ni O12 -","- C24 H24 Cu N4 Ni O12 -","- C96 H96 Cu4 N16 Ni4 O48 -","4","1","","Li, Xiao-Zeng; Hao, Peng-Peng; Wang, Dan; Zhu, Li-Na","Analysis of factors governing the formation of single-stranded helical coordination polymers from a macrocyclic metalloligand and Ca2+, Mn2+, Fe2+, Co2+, Ni2+, Cu2+, Zn2+ and Pb2+","CrystEngComm","2013","15","15","2800","","10.1039/c3ce40124c","","","0.71073","MoKα","","0.04","0.0333","","","0.0907","0.0945","","","","","","1.1","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209768","15.9","0.02","8.875","0.011","24.97","0.02","90","","128.93","0.05","90","","2741","6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Mn N4 Ni O12 -","- C24 H16 Mn N4 Ni O12 -","- C96 H64 Mn4 N16 Ni4 O48 -","4","1","","Li, Xiao-Zeng; Hao, Peng-Peng; Wang, Dan; Zhu, Li-Na","Analysis of factors governing the formation of single-stranded helical coordination polymers from a macrocyclic metalloligand and Ca2+, Mn2+, Fe2+, Co2+, Ni2+, Cu2+, Zn2+ and Pb2+","CrystEngComm","2013","15","15","2800","","10.1039/c3ce40124c","","","0.71073","MoKα","","0.1275","0.0894","","","0.2367","0.294","","","","","","1.064","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7209769","15.86","0.005","14.713","0.005","7.995","0.003","104.946","0.003","82.339","0.001","68.821","0.003","1626.8","1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C21.5 H20.5 Cu I4 N4.5 O Pb -","- C21.5 H20.5 Cu I4 N4.5 O Pb -","- C43 H41 Cu2 I8 N9 O2 Pb2 -","2","1","","Wang, Guan-E; Xu, Gang; Li, Pei-Xin; Wang, Shuai-Hua; Wang, Ming-Sheng; Guo, Guo-Cong; Huang, Jin-Shun","Diplex single-crystal-to-single-crystal transformation by different inducement","CrystEngComm","2013","15","14","2579","","10.1039/c3ce40136g","","","0.71073","MoKα","","0.0417","0.0368","","","0.0941","0.0954","","","","","","0.992","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209770","17.943","0.006","19.378","0.006","7.853","0.002","90","","95.009","0.005","90","","2720.1","1.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Cu I4 N4 Pb -","- C20 H16 Cu I4 N4 Pb -","- C80 H64 Cu4 I16 N16 Pb4 -","4","1","","Wang, Guan-E; Xu, Gang; Li, Pei-Xin; Wang, Shuai-Hua; Wang, Ming-Sheng; Guo, Guo-Cong; Huang, Jin-Shun","Diplex single-crystal-to-single-crystal transformation by different inducement","CrystEngComm","2013","15","14","2579","","10.1039/c3ce40136g","","","0.71073","MoKα","","0.0439","0.0309","","","0.0601","0.0631","","","","","","0.959","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209771","17.604","0.006","14.926","0.005","16.292","0.006","90","","105.311","0.005","90","","4129","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Cu I6 N6 Pb2 -","- C30 H24 Cu I6 N6 Pb2 -","- C120 H96 Cu4 I24 N24 Pb8 -","4","1","","Wang, Guan-E; Xu, Gang; Li, Pei-Xin; Wang, Shuai-Hua; Wang, Ming-Sheng; Guo, Guo-Cong; Huang, Jin-Shun","Diplex single-crystal-to-single-crystal transformation by different inducement","CrystEngComm","2013","15","14","2579","","10.1039/c3ce40136g","","","0.71073","MoKα","","0.0735","0.0526","","","0.1392","0.1565","","","","","","1.011","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209772","13.5031","0.0006","11.2985","0.0005","25.4543","0.0012","90","","98.694","0.004","90","","3838.8","0.3","100","2","100","2","","","","","","","Starting reagent was purchased from SIGMA","5","P 1 21/n 1","-P 2yn","14","n-butylammoniun salt of tolbutamide","","","- C16 H29 N3 O3 S -","- C16 H29 N3 O3 S -","- C128 H232 N24 O24 S8 -","8","2","","Drebushchak, Tatiana N.; Pankrushina, Natalia A.; Mikheev, Aleksandr N.; Thumm, Manfred K. A.","Crystalline products of tolbutamide decomposition in water after microwave treatment","CrystEngComm","2013","15","18","3582","","10.1039/c3ce40145f","","","0.71073","MoKα","","0.1041","0.0677","","","0.1339","0.1506","","","","","","1.041","","","","has coordinates,has disorder","180428","2020-10-21","18:00:00",""
"7209773","5.1562","0.0002","8.325","0.0004","9.8583","0.0007","100.801","0.005","102.284","0.004","90.371","0.003","405.68","0.04","295","2","295","2","","","","","","","Starting reagent was purchased from SIGMA","5","P 1","P 1","1","p-toluenesulfonamide","","","- C7 H9 N O2 S -","- C7 H9 N O2 S -","- C14 H18 N2 O4 S2 -","2","2","","Drebushchak, Tatiana N.; Pankrushina, Natalia A.; Mikheev, Aleksandr N.; Thumm, Manfred K. A.","Crystalline products of tolbutamide decomposition in water after microwave treatment","CrystEngComm","2013","15","18","3582","","10.1039/c3ce40145f","","","0.71073","MoKα","","0.0539","0.0421","","","0.0893","0.0972","","","","","","1.027","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209774","17.795","0.0014","7.3167","0.0006","11.3957","0.0009","90","","97.479","0.001","90","","1471.1","0.2","150","2","150","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C24 H20 Co2 F2 N4 O13 -","- C24 H20 Co2 F2 N4 O13 -","- C48 H40 Co4 F4 N8 O26 -","2","0.5","","Zhang, Guangju; Hu, Hailiang; Li, Hao; Zhao, Fangfang; Liu, Yang; He, Xiaodie; Huang, Hui; Xu, Yan; Wei, Ying; Kang, Zhenhui","Homochiral metal‒organic porous materials for enantioselective recognition and electrocatalysis","CrystEngComm","2013","15","17","3288","","10.1039/c3ce40162f","","","0.71073","MoKα","","0.0447","0.0387","","","0.1067","0.1104","","","","","","1.066","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209775","17.857","0.01","7.324","0.004","11.409","0.006","90","","97.668","0.009","90","","1478.8","1.4","150","2","150","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C24 H20 Co2 F2 N4 O13 -","- C24 H20 Co2 F2 N4 O13 -","- C48 H40 Co4 F4 N8 O26 -","2","0.5","","Zhang, Guangju; Hu, Hailiang; Li, Hao; Zhao, Fangfang; Liu, Yang; He, Xiaodie; Huang, Hui; Xu, Yan; Wei, Ying; Kang, Zhenhui","Homochiral metal‒organic porous materials for enantioselective recognition and electrocatalysis","CrystEngComm","2013","15","17","3288","","10.1039/c3ce40162f","","","0.71073","MoKα","","0.0618","0.0527","","","0.1512","0.1585","","","","","","1.051","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209776","23.6899","0.0004","23.6899","0.0004","30.8058","0.0007","90","","90","","120","","14972.3","0.5","130","2","130","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C61.5 H69.5 N4.5 O24.5 Zn4 -","- C48 H37.98 O20 Zn4 -","- C288 H227.88 O120 Zn24 -","6","0.333333","","Lestari, Witri Wahyu; Lönnecke, Peter; Sárosi, Menyhárt B.; Streit, Huayna Cerqueira; Adlung, Matthias; Wickleder, Claudia; Handke, Marcel; Einicke, Wolf-Dietrich; Gläser, Roger; Hey-Hawkins, Evamarie","Syntheses, structures and luminescence properties of novel metal‒organic frameworks based on zinc(ii), cadmium(ii) or lead(ii) and a 2,2′-dimethoxy-functionalised biphenyl linker","CrystEngComm","2013","15","19","3874","","10.1039/c3ce40179k","","","0.71073","MoKα","","0.0561","0.0465","","","0.135","0.14","","","","","","1.077","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7209777","22.3139","0.0002","22.3139","0.0002","43.2016","0.0008","90","","90","","90","","21510.5","0.5","130","2","130","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C200 H240 Cd7 Cl2 N16 O68 -","- C200 H240 Cd7 Cl2 N16 O68 -","- C800 H960 Cd28 Cl8 N64 O272 -","4","0.25","","Lestari, Witri Wahyu; Lönnecke, Peter; Sárosi, Menyhárt B.; Streit, Huayna Cerqueira; Adlung, Matthias; Wickleder, Claudia; Handke, Marcel; Einicke, Wolf-Dietrich; Gläser, Roger; Hey-Hawkins, Evamarie","Syntheses, structures and luminescence properties of novel metal‒organic frameworks based on zinc(ii), cadmium(ii) or lead(ii) and a 2,2′-dimethoxy-functionalised biphenyl linker","CrystEngComm","2013","15","19","3874","","10.1039/c3ce40179k","","","0.71073","MoKα","","0.1195","0.0526","","","0.1176","0.1295","","","","","","0.817","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209778","29.5046","0.0005","14.3407","0.0002","18.4708","0.0003","90","","90","","90","","7815.3","0.2","130","2","130","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C68 H60 O28 Pb6 -","- C68 H60 O28 Pb6 -","- C272 H240 O112 Pb24 -","4","0.5","","Lestari, Witri Wahyu; Lönnecke, Peter; Sárosi, Menyhárt B.; Streit, Huayna Cerqueira; Adlung, Matthias; Wickleder, Claudia; Handke, Marcel; Einicke, Wolf-Dietrich; Gläser, Roger; Hey-Hawkins, Evamarie","Syntheses, structures and luminescence properties of novel metal‒organic frameworks based on zinc(ii), cadmium(ii) or lead(ii) and a 2,2′-dimethoxy-functionalised biphenyl linker","CrystEngComm","2013","15","19","3874","","10.1039/c3ce40179k","","","0.71073","MoKα","","0.0673","0.03","","","0.0591","0.0624","","","","","","0.847","","","","has coordinates,has disorder","180428","2020-10-21","18:00:00",""
"7209779","15.1458","0.0006","20.2514","0.0009","8.6838","0.0004","90","","90","","90","","2663.5","0.2","130","2","130","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C16 H18 O2 -","- C16 H18 O2 -","- C128 H144 O16 -","8","0.5","","Lestari, Witri Wahyu; Lönnecke, Peter; Sárosi, Menyhárt B.; Streit, Huayna Cerqueira; Adlung, Matthias; Wickleder, Claudia; Handke, Marcel; Einicke, Wolf-Dietrich; Gläser, Roger; Hey-Hawkins, Evamarie","Syntheses, structures and luminescence properties of novel metal‒organic frameworks based on zinc(ii), cadmium(ii) or lead(ii) and a 2,2′-dimethoxy-functionalised biphenyl linker","CrystEngComm","2013","15","19","3874","","10.1039/c3ce40179k","","","0.71073","MoKα","","0.0429","0.0376","","","0.1039","0.1061","","","","","","1.039","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209780","32.547","0.001","17.5335","0.0006","13.7923","0.0006","90","","90","","90","","7870.8","0.5","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C66 H86 Ce2 N12 O34 -","- C66 H78 Ce2 N12 O30 -","- C264 H312 Ce8 N48 O120 -","4","0.5","","Gao, Bo; Zhang, Qian; Yan, Pengfei; Hou, Guangfeng; Li, Guangming","Crystal engineering of salen type cerium complexes tuned by various cerium counterions","CrystEngComm","2013","15","20","4167","","10.1039/c3ce40207j","","","0.71073","MoKα","","0.1123","0.056","","","0.0885","0.1057","","","","","","0.966","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209781","15.9742","0.0003","15.9742","0.0003","19.4383","0.0006","90","","90","","120","","4295.63","0.17","293","2","293","2","","","","","","","","7","P 64 2 2","P 64 2 (0 0 2)","181","","","","- C48 H58 Ce F6 N8 O14 P -","- C48 H58 Ce F6 N8 O14 P -","- C144 H174 Ce3 F18 N24 O42 P3 -","3","0.25","","Gao, Bo; Zhang, Qian; Yan, Pengfei; Hou, Guangfeng; Li, Guangming","Crystal engineering of salen type cerium complexes tuned by various cerium counterions","CrystEngComm","2013","15","20","4167","","10.1039/c3ce40207j","","","0.71073","MoKα","","0.0614","0.0453","","","0.121","0.1314","","","","","","1.067","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209782","29.134","0.006","14.254","0.003","14.244","0.003","90","","104.1","0.03","90","","5737","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H30 Ce N5 O14 -","- C23 H30 Ce N5 O14 -","- C184 H240 Ce8 N40 O112 -","8","1","","Gao, Bo; Zhang, Qian; Yan, Pengfei; Hou, Guangfeng; Li, Guangming","Crystal engineering of salen type cerium complexes tuned by various cerium counterions","CrystEngComm","2013","15","20","4167","","10.1039/c3ce40207j","","","0.71073","MoKα","","0.1183","0.0838","","","0.2104","0.2347","","","","","","1.053","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209783","17.751","0.004","10.493","0.002","22.403","0.004","90","","104.44","0.03","90","","4041","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H48 Ce N4 O8 -","- C44 H48 Ce N4 O8 -","- C176 H192 Ce4 N16 O32 -","4","1","","Gao, Bo; Zhang, Qian; Yan, Pengfei; Hou, Guangfeng; Li, Guangming","Crystal engineering of salen type cerium complexes tuned by various cerium counterions","CrystEngComm","2013","15","20","4167","","10.1039/c3ce40207j","","","0.71073","MoKα","","0.0967","0.0615","","","0.1154","0.1317","","","","","","1.069","","","","has coordinates,has disorder","180428","2020-10-21","18:00:00",""
"7209784","14.56","0.003","15.267","0.003","16.804","0.003","70.46","0.03","72.52","0.03","64.76","0.03","3129.1","1.4","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C46 H62 Ce Cl2 F18 N4 O11 P3 -","- C46 H58 Ce Cl2 F18 N4 O11 P3 -","- C92 H116 Ce2 Cl4 F36 N8 O22 P6 -","2","1","","Gao, Bo; Zhang, Qian; Yan, Pengfei; Hou, Guangfeng; Li, Guangming","Crystal engineering of salen type cerium complexes tuned by various cerium counterions","CrystEngComm","2013","15","20","4167","","10.1039/c3ce40207j","","","0.71073","MoKα","","0.1062","0.0727","","","0.1905","0.216","","","","","","1.021","","","","has coordinates,has disorder","180428","2020-10-21","18:00:00",""
"7209785","19.663","0.0003","19.663","0.0003","19.663","0.0003","90","","90","","90","","7602.4","0.2","293","2","293","2","","","","","","","","6","P n -3 n :2","-P 4a 2bc 3","222","","","","- C96 H96 Cu6 Mo12 N72 O43 -","- C96 H96 Cu6 Mo12 N72 O43 -","- C192 H192 Cu12 Mo24 N144 O86 -","2","0.0416667","","Zhang, Zhe; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Five polyoxometalate-based inorganic‒organic hybrid compounds constructed by a multidentate N-donor ligand: syntheses, structures, electrochemistry, and photocatalysis properties","CrystEngComm","2013","15","19","3843","","10.1039/c3ce40210j","","","0.71073","MoKα","","0.1236","0.1125","","","0.1915","0.1967","","","","","","0.987","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209786","26.7741","0.0007","10.0535","0.0003","22.0865","0.0007","90","","97.275","0.003","90","","5897.2","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H40 Mo10 N18 O42 Zn3 -","- C24 H26 Mo10 N18 O42 Zn3 -","- C96 H104 Mo40 N72 O168 Zn12 -","4","0.5","","Zhang, Zhe; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Five polyoxometalate-based inorganic‒organic hybrid compounds constructed by a multidentate N-donor ligand: syntheses, structures, electrochemistry, and photocatalysis properties","CrystEngComm","2013","15","19","3843","","10.1039/c3ce40210j","","","0.71073","MoKα","","0.0368","0.0307","","","0.0676","0.0711","","","","","","1.027","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209787","10.575","0.0005","10.894","0.0005","13.87","0.0007","87.233","0.004","72.403","0.004","66.408","0.004","1390.96","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H40 Mo8 N18 O34 Zn2 -","- C24 H26 Mo8 N18 O34 Zn2 -","- C24 H26 Mo8 N18 O34 Zn2 -","1","0.5","","Zhang, Zhe; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Five polyoxometalate-based inorganic‒organic hybrid compounds constructed by a multidentate N-donor ligand: syntheses, structures, electrochemistry, and photocatalysis properties","CrystEngComm","2013","15","19","3843","","10.1039/c3ce40210j","","","0.71069","MoKα","","0.0508","0.0356","","","0.0819","0.0895","","","","","","1.028","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209788","10.549","0.0007","10.842","0.0007","13.8","0.0009","87.135","0.006","72.428","0.006","66.412","0.007","1374.43","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H40 Co2 Mo8 N18 O34 -","- C24 H22 Co2 Mo8 N18 O34 -","- C24 H22 Co2 Mo8 N18 O34 -","1","0.5","","Zhang, Zhe; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Five polyoxometalate-based inorganic‒organic hybrid compounds constructed by a multidentate N-donor ligand: syntheses, structures, electrochemistry, and photocatalysis properties","CrystEngComm","2013","15","19","3843","","10.1039/c3ce40210j","","","0.71069","MoKα","","0.0572","0.0379","","","0.0823","0.0908","","","","","","1.026","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209789","12.113","0.0018","12.226","0.0015","12.289","0.0016","102.178","0.011","100.545","0.012","119.663","0.014","1454.7","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H52 Co2 Mo8 N18 O40 -","- C24 H24 Co2 Mo8 N18 O40 -","- C24 H24 Co2 Mo8 N18 O40 -","1","0.5","","Zhang, Zhe; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Five polyoxometalate-based inorganic‒organic hybrid compounds constructed by a multidentate N-donor ligand: syntheses, structures, electrochemistry, and photocatalysis properties","CrystEngComm","2013","15","19","3843","","10.1039/c3ce40210j","","","0.71069","MoKα","","0.1432","0.069","","","0.123","0.1567","","","","","","0.995","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209790","20.9095","0.0016","19.3423","0.0008","11.6313","0.0008","90","","119.1","0.01","90","","4110.3","0.6","296","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H11 Ag3 F6 O5 -","- C19 H11 Ag3 F6 O5 -","- C152 H88 Ag24 F48 O40 -","8","1","","Li, Bo; Huang, Ren-Wu; Zang, Shuang-Quan; Mak, Thomas C. W.","Assembly of silver(i)‒organic frameworks from flexible supramolecular synthons with pendant ethynide arm attached to biphenyl and phenoxybenzene skeletons","CrystEngComm","2013","15","20","4087","","10.1039/c3ce40230d","","","0.71073","MoKα","","0.0619","0.0484","","","0.1214","0.1298","","","","","","1.086","","","","has coordinates,has disorder","180428","2020-10-21","18:00:00",""
"7209791","11.746","0.002","12.454","0.003","14.005","0.003","76.38","0.03","74.67","0.03","87.77","0.03","1919.7","0.8","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H16 Ag6 F15 N O12 -","- C27 H16 Ag6 F15 N O12 -","- C54 H32 Ag12 F30 N2 O24 -","2","1","","Li, Bo; Huang, Ren-Wu; Zang, Shuang-Quan; Mak, Thomas C. W.","Assembly of silver(i)‒organic frameworks from flexible supramolecular synthons with pendant ethynide arm attached to biphenyl and phenoxybenzene skeletons","CrystEngComm","2013","15","20","4087","","10.1039/c3ce40230d","","","0.71073","MoKα","","0.0594","0.0524","","","0.118","0.1226","","","","","","1.03","","","","has coordinates,has disorder","180428","2020-10-21","18:00:00",""
"7209792","7.6485","0.0002","11.1943","0.0003","30.1822","0.0007","94.781","0.002","92.459","0.002","90.367","0.002","2572.7","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H44 Ag6 N2 O10 -","- C60 H44 Ag6 N2 O10 -","- C120 H88 Ag12 N4 O20 -","2","1","","Li, Bo; Huang, Ren-Wu; Zang, Shuang-Quan; Mak, Thomas C. W.","Assembly of silver(i)‒organic frameworks from flexible supramolecular synthons with pendant ethynide arm attached to biphenyl and phenoxybenzene skeletons","CrystEngComm","2013","15","20","4087","","10.1039/c3ce40230d","","","0.71073","MoKα","","0.0709","0.0542","","","0.1253","0.1351","","","","","","1.024","","","","has coordinates,has disorder","180428","2020-10-21","18:00:00",""
"7209793","9.0069","0.0018","23.389","0.005","16.537","0.005","90","","118.56","0.02","90","","3059.8","1.4","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H11 Ag5 F12 O10 -","- C23 H11 Ag5 F12 O10 -","- C92 H44 Ag20 F48 O40 -","4","1","","Li, Bo; Huang, Ren-Wu; Zang, Shuang-Quan; Mak, Thomas C. W.","Assembly of silver(i)‒organic frameworks from flexible supramolecular synthons with pendant ethynide arm attached to biphenyl and phenoxybenzene skeletons","CrystEngComm","2013","15","20","4087","","10.1039/c3ce40230d","","","0.71073","MoKα","","0.0854","0.0727","","","0.1752","0.1855","","","","","","1.101","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7209794","32.536","0.006","11.67","0.002","26.226","0.005","90","","127.6","0.03","90","","7890","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H22 Ag5 F9 O10 -","- C36 H22 Ag5 F9 O10 -","- C288 H176 Ag40 F72 O80 -","8","1","","Li, Bo; Huang, Ren-Wu; Zang, Shuang-Quan; Mak, Thomas C. W.","Assembly of silver(i)‒organic frameworks from flexible supramolecular synthons with pendant ethynide arm attached to biphenyl and phenoxybenzene skeletons","CrystEngComm","2013","15","20","4087","","10.1039/c3ce40230d","","","0.71073","MoKα","","0.1495","0.1255","","","0.4347","0.4614","","","","","","1.082","","","","has coordinates,has disorder","180428","2020-10-21","18:00:00",""
"7209795","13.8833","0.0014","24.923","0.003","13.0817","0.0013","90","","114.308","0.002","90","","4125.2","0.8","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C82 H54 Ag8 F18 N8 O14 -","- C82 H54 Ag8 F18 N8 O14 -","- C164 H108 Ag16 F36 N16 O28 -","2","0.5","","Li, Bo; Huang, Ren-Wu; Zang, Shuang-Quan; Mak, Thomas C. W.","Assembly of silver(i)‒organic frameworks from flexible supramolecular synthons with pendant ethynide arm attached to biphenyl and phenoxybenzene skeletons","CrystEngComm","2013","15","20","4087","","10.1039/c3ce40230d","","","0.71073","MoKα","","0.0345","0.027","","","0.0645","0.0671","","","","","","1.003","","","","has coordinates,has disorder","180428","2020-10-21","18:00:00",""
"7209796","4.128","0.0004","29.664","0.003","8.02","0.0007","90","","101.296","0.009","90","","963.05","0.16","130","1","130","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H4 N2 S -","- C4 H4 N2 S -","- C32 H32 N16 S8 -","8","2","","Owczarzak, Anita M.; Kourkoumelis, Nikolaos; Hadjikakou, Sotiris K.; Kubicki, Maciej","The impact of the anion size on the crystal packing in 2-mercaptopyrimidine halides; isostructurality and polymorphism","CrystEngComm","2013","15","18","3607","","10.1039/c3ce40240a","","","1.5418","CuKα","","0.0686","0.0658","","","0.2012","0.2028","","","","","","1.147","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209797","8.0166","0.001","12.9113","0.0009","6.5423","0.0006","90","","90","","90","","677.16","0.11","295","2","295","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C4 H5 Cl N2 S -","- C4 H5 Cl N2 S -","- C16 H20 Cl4 N8 S4 -","4","0.25","","Owczarzak, Anita M.; Kourkoumelis, Nikolaos; Hadjikakou, Sotiris K.; Kubicki, Maciej","The impact of the anion size on the crystal packing in 2-mercaptopyrimidine halides; isostructurality and polymorphism","CrystEngComm","2013","15","18","3607","","10.1039/c3ce40240a","","","0.71073","MoKα","","0.0377","0.0318","","","0.0848","0.0867","","","","","","1.138","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209798","14.0264","0.0006","4.6351","0.0002","10.5403","0.0005","90","","90","","90","","685.26","0.05","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C4 H5 Br N2 S -","- C4 H5 Br N2 S -","- C16 H20 Br4 N8 S4 -","4","1","","Owczarzak, Anita M.; Kourkoumelis, Nikolaos; Hadjikakou, Sotiris K.; Kubicki, Maciej","The impact of the anion size on the crystal packing in 2-mercaptopyrimidine halides; isostructurality and polymorphism","CrystEngComm","2013","15","18","3607","","10.1039/c3ce40240a","","","1.5418","CuKα","","0.0346","0.0341","","","0.0969","0.0975","","","","","","1.115","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209799","11.5502","0.0003","8.6872","0.0004","13.6237","0.0006","90","","90","","90","","1366.99","0.09","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H5 Br N2 S -","- C4 H5 Br N2 S -","- C32 H40 Br8 N16 S8 -","8","1","","Owczarzak, Anita M.; Kourkoumelis, Nikolaos; Hadjikakou, Sotiris K.; Kubicki, Maciej","The impact of the anion size on the crystal packing in 2-mercaptopyrimidine halides; isostructurality and polymorphism","CrystEngComm","2013","15","18","3607","","10.1039/c3ce40240a","","","1.5418","CuKα","","0.0244","0.0235","","","0.0632","0.0641","","","","","","1.069","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209800","11.812","0.005","9.152","0.005","13.478","0.005","90","","90","","90","","1457","1.1","100","2","100","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H5 I N2 S -","- C4 H5 I N2 S -","- C32 H40 I8 N16 S8 -","8","1","","Owczarzak, Anita M.; Kourkoumelis, Nikolaos; Hadjikakou, Sotiris K.; Kubicki, Maciej","The impact of the anion size on the crystal packing in 2-mercaptopyrimidine halides; isostructurality and polymorphism","CrystEngComm","2013","15","18","3607","","10.1039/c3ce40240a","","","0.7107","MoKα","","0.0789","0.0439","","","0.0743","0.0841","","","","","","1.064","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209801","34.1862","0.0007","20.4477","0.0003","34.3172","0.001","90","","108.802","0.002","90","","22708.6","0.9","173","2","173","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C127.5 H128 As4 O4 V8 -","- C127.49 H127.98 As4 O4 V8 -","- C1019.92 H1023.84 As32 O32 V64 -","8","1","","Elschenbroich, Christoph; Lu, Feng; Harms, Klaus; Pietzonka, Clemens","Intermolecular hydrogen bonds directed tetramer and intramolecular electronic communication: paramagnetic di([5]trovacenyl)arsinous acid","CrystEngComm","2013","15","18","3525","","10.1039/c3ce40246k","","","0.71073","MoKα","","0.085","0.0442","","","0.0962","0.1076","","","","","","0.901","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7209802","18.3107","0.0004","16.6058","0.0004","11.7604","0.0003","90","","99.501","0.002","90","","3526.86","0.15","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H48 Br2 Cu N4 O6 Si2 -","- C28 H48 Br2 Cu N4 O6 Si2 -","- C112 H192 Br8 Cu4 N16 O24 Si8 -","4","0.5","","Moon, So Yun; Noh, Tae Hwan; Jung, Ok-Sang","Insight into the crystallization process: relationships between crystal structures and properties of copper(ii) coordination polymers containing dimethylbis(4-pyridyl)silane","CrystEngComm","2013","15","19","3854","","10.1039/c3ce40257f","","","0.71073","MoKα","","0.1027","0.0859","","","0.2753","0.2887","","","","","","1.052","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209803","12.1935","0.0002","20.2551","0.0003","15.1134","0.0002","90","","97.944","0.001","90","","3696.9","0.1","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C28 H40 Br2 Cu N4 O2 S2 Si2 -","- C28 H40 Br2 Cu N4 O2 S2 Si2 -","- C112 H160 Br8 Cu4 N16 O8 S8 Si8 -","4","1","","Moon, So Yun; Noh, Tae Hwan; Jung, Ok-Sang","Insight into the crystallization process: relationships between crystal structures and properties of copper(ii) coordination polymers containing dimethylbis(4-pyridyl)silane","CrystEngComm","2013","15","19","3854","","10.1039/c3ce40257f","","","0.71073","MoKα","","0.076","0.0457","","","0.0976","0.1033","","","","","","1.013","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209804","11.9663","0.0001","11.9663","0.0001","16.2923","0.0003","90","","90","","90","","2332.93","0.05","173","2","173","2","","","","","","","","8","P 43","P 4cw","78","","","","- C16 H26 Br2 Cu N2 O2 S2 Si -","- C16 H26 Br2 Cu N2 O2 S2 Si -","- C64 H104 Br8 Cu4 N8 O8 S8 Si4 -","4","1","","Moon, So Yun; Noh, Tae Hwan; Jung, Ok-Sang","Insight into the crystallization process: relationships between crystal structures and properties of copper(ii) coordination polymers containing dimethylbis(4-pyridyl)silane","CrystEngComm","2013","15","19","3854","","10.1039/c3ce40257f","","","0.71073","MoKα","","0.051","0.0374","","","0.0709","0.076","","","","","","0.929","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209805","11.9456","0.0001","11.9456","0.0001","16.2905","0.0004","90","","90","","90","","2324.61","0.06","173","2","173","2","","","","","","","","8","P 41","P 4w","76","","","","- C16 H26 Br2 Cu N2 O2 S2 Si -","- C16 H26 Br2 Cu N2 O2 S2 Si -","- C64 H104 Br8 Cu4 N8 O8 S8 Si4 -","4","1","","Moon, So Yun; Noh, Tae Hwan; Jung, Ok-Sang","Insight into the crystallization process: relationships between crystal structures and properties of copper(ii) coordination polymers containing dimethylbis(4-pyridyl)silane","CrystEngComm","2013","15","19","3854","","10.1039/c3ce40257f","","","0.71073","MoKα","","0.0736","0.0585","","","0.1426","0.1613","","","","","","0.999","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209806","8.0406","0.0012","22.942","0.003","11.6153","0.0015","90","","108.4","0.012","90","","2033.1","0.5","103","2","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H8 F8 I2 N4 O -","- C16 H8 F8 I2 N4 O -","- C64 H32 F32 I8 N16 O4 -","4","1","","Saccone, Marco; Cavallo, Gabriella; Metrangolo, Pierangelo; Pace, Andrea; Pibiri, Ivana; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo","Halogen bond directionality translates tecton geometry into self-assembled architecture geometry","CrystEngComm","2013","15","16","3102","","10.1039/c3ce40268a","","","0.71073","MoKα","","0.034","0.0242","","","0.0532","0.0573","","","","","","1.034","","","","has coordinates,has disorder","180429","2020-10-21","18:00:00",""
"7209807","13.1606","0.0012","5.5451","0.0006","31.302","0.003","90","","91.877","0.01","90","","2283.1","0.4","103","2","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H8 F12 I2 N4 O -","- C18 H8 F12 I2 N4 O -","- C72 H32 F48 I8 N16 O4 -","4","1","","Saccone, Marco; Cavallo, Gabriella; Metrangolo, Pierangelo; Pace, Andrea; Pibiri, Ivana; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo","Halogen bond directionality translates tecton geometry into self-assembled architecture geometry","CrystEngComm","2013","15","16","3102","","10.1039/c3ce40268a","","","0.71073","MoKα","","0.0375","0.0327","","","0.0821","0.0841","","","","","","1.122","","","","has coordinates,has disorder","180429","2020-10-21","18:00:00",""
"7209808","8.7813","0.0017","15.715","0.003","10.4219","0.0014","90","","97.572","0.013","90","","1425.7","0.4","291.15","","291.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 Cu2 N6 S4 -","- C24 H30 Cu2 N6 S4 -","- C48 H60 Cu4 N12 S8 -","2","0.5","","Li, Li; Yue, Jun-Ming; Qiao, Yong-Zhen; Niu, Yun-Yin; Hou, Hong-Wei","The side chain template effect in viologen on the formation of polypseudorotaxane architecture: six novel metal coordination polymers and their properties","CrystEngComm","2013","15","19","3835","","10.1039/c3ce40276b","","","0.7107","MoKα","","0.0964","0.0631","","","0.1805","0.2154","","","","","","1.045","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209809","9.6447","0.0003","10.2793","0.0004","10.651","0.0003","90","","91.74","0.003","90","","1055.46","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 Cu N3 S2 -","- C8 H7 Cu N3 S2 -","- C32 H28 Cu4 N12 S8 -","4","1","","Li, Li; Yue, Jun-Ming; Qiao, Yong-Zhen; Niu, Yun-Yin; Hou, Hong-Wei","The side chain template effect in viologen on the formation of polypseudorotaxane architecture: six novel metal coordination polymers and their properties","CrystEngComm","2013","15","19","3835","","10.1039/c3ce40276b","","","0.71073","MoKα","","0.0668","0.0488","","","0.1093","0.1228","","","","","","0.947","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209810","10.2175","0.0003","11.0524","0.0004","10.7815","0.0003","90","","94.854","0.003","90","","1213.17","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 Cu N3 S2 -","- C10 H11 Cu N3 S2 -","- C40 H44 Cu4 N12 S8 -","4","1","","Li, Li; Yue, Jun-Ming; Qiao, Yong-Zhen; Niu, Yun-Yin; Hou, Hong-Wei","The side chain template effect in viologen on the formation of polypseudorotaxane architecture: six novel metal coordination polymers and their properties","CrystEngComm","2013","15","19","3835","","10.1039/c3ce40276b","","","0.71073","MoKα","","0.0515","0.0376","","","0.0849","0.0927","","","","","","1.037","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209811","8.4491","0.0004","14.2366","0.0005","10.4911","0.0004","90","","105.447","0.004","90","","1216.35","0.09","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 Cu2 N6 S4 -","- C20 H22 Cu2 N6 S4 -","- C40 H44 Cu4 N12 S8 -","2","0.5","","Li, Li; Yue, Jun-Ming; Qiao, Yong-Zhen; Niu, Yun-Yin; Hou, Hong-Wei","The side chain template effect in viologen on the formation of polypseudorotaxane architecture: six novel metal coordination polymers and their properties","CrystEngComm","2013","15","19","3835","","10.1039/c3ce40276b","","","0.71073","MoKα","","0.0786","0.0692","","","0.1781","0.1902","","","","","","1.075","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209812","11.659","0.0004","12.0484","0.0003","28.1225","0.0007","90","","90","","90","","3950.43","0.19","291","2","291.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H17 Cu2 N5 S3 -","- C17 H17 Cu2 N5 S3 -","- C136 H136 Cu16 N40 S24 -","8","1","","Li, Li; Yue, Jun-Ming; Qiao, Yong-Zhen; Niu, Yun-Yin; Hou, Hong-Wei","The side chain template effect in viologen on the formation of polypseudorotaxane architecture: six novel metal coordination polymers and their properties","CrystEngComm","2013","15","19","3835","","10.1039/c3ce40276b","","","0.7107","MoKα","","0.0667","0.0488","","","0.1218","0.1448","","","","","","1.076","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209813","11.0461","0.0015","10.8682","0.0014","11.0982","0.0015","90","","96.472","0.002","90","","1323.9","0.3","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C11 H13 B0 Cu N3 O0 S2 -","- C11 H13 Cu N3 S2 -","- C44 H52 Cu4 N12 S8 -","4","1","","Li, Li; Yue, Jun-Ming; Qiao, Yong-Zhen; Niu, Yun-Yin; Hou, Hong-Wei","The side chain template effect in viologen on the formation of polypseudorotaxane architecture: six novel metal coordination polymers and their properties","CrystEngComm","2013","15","19","3835","","10.1039/c3ce40276b","","","0.71073","MoKα","","0.0474","0.0326","","","0.0742","0.0818","","","","","","1.022","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209814","6.8994","0.0004","3.8566","0.0002","31.2021","0.0019","90","","90.571","0.001","90","","830.19","0.08","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H7 Br O2 -","- C9 H7 Br O2 -","- C36 H28 Br4 O8 -","4","1","","Yates, Jane L. R.; Sparkes, Hazel A.","4-Bromo-trans-cinnamic acid: structural characterisation and crystallographic investigation into the solid state [2 + 2] cycloaddition reaction and temperature induced phase transition","CrystEngComm","2013","15","18","3547","","10.1039/c3ce40300a","","","0.71073","MoKα","","0.0379","0.0345","","","0.09","0.0921","","","","","","1.106","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209815","6.8823","0.0002","3.9043","0.0001","31.4618","0.0012","90","","90.077","0.003","90","","845.4","0.05","240","2","240","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H7 Br O2 -","- C9 H7 Br O2 -","- C36 H28 Br4 O8 -","4","1","","Yates, Jane L. R.; Sparkes, Hazel A.","4-Bromo-trans-cinnamic acid: structural characterisation and crystallographic investigation into the solid state [2 + 2] cycloaddition reaction and temperature induced phase transition","CrystEngComm","2013","15","18","3547","","10.1039/c3ce40300a","","","0.71073","MoKα","","0.0413","0.0319","","","0.0634","0.0651","","","","","","1.118","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209816","6.6422","0.0004","3.9472","0.0004","32.9","0.003","90","","95.552","0.007","90","","858.53","0.13","300","2","300","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H7 Br O2 -","- C9 H7 Br O2 -","- C36 H28 Br4 O8 -","4","1","","Yates, Jane L. R.; Sparkes, Hazel A.","4-Bromo-trans-cinnamic acid: structural characterisation and crystallographic investigation into the solid state [2 + 2] cycloaddition reaction and temperature induced phase transition","CrystEngComm","2013","15","18","3547","","10.1039/c3ce40300a","","","0.71073","MoKα","","0.0661","0.0389","","","0.081","0.0868","","","","","","1.041","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209817","11.318","0.0004","11.3592","0.0004","16.8666","0.0006","98.753","0.003","102.761","0.003","103.029","0.003","2013.34","0.13","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C20.8 H18 Br2 O4.9 -","- C20.8 H18 Br2 O4.9 -","- C83.2 H72 Br8 O19.6 -","4","2","","Yates, Jane L. R.; Sparkes, Hazel A.","4-Bromo-trans-cinnamic acid: structural characterisation and crystallographic investigation into the solid state [2 + 2] cycloaddition reaction and temperature induced phase transition","CrystEngComm","2013","15","18","3547","","10.1039/c3ce40300a","","","0.71073","MoKα","","0.0629","0.0459","","","0.1095","0.1198","","","","","","1.035","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7209818","8.1051","0.0003","7.1178","0.0003","12.2732","0.0005","90","","103.646","0.004","90","","688.06","0.05","298","2","298","2","","","","","","","Synthetic Product","6","P 1 21 1","P 2yb","4","2-chloro-5-(1-hydroxy-3-oxo-1-isoindolinyl)benzenesulfonamide","2-chloro-5-(1-hydroxy-3-oxo-1-isoindolinyl)benzenesulfonamide","","- C14 H11 Cl N2 O4 S -","- C14 H11 Cl N2 O4 S -","- C28 H22 Cl2 N4 O8 S2 -","2","1","","Martins, Felipe T.; Bonfilio, Rudy; Rosa, Iara M. L.; Santos, Leandro M.; Santos, Olimpia M. M.; Araújo, Magali B.; Doriguetto, Antônio C.","The form II of the antihypertensive drug chlorthalidone","CrystEngComm","2013","15","19","3767","","10.1039/c3ce40303c","","","0.71073","MoKα","","0.0306","0.028","","","0.063","0.0645","","","","","","1.034","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209819","6.6796","0.0002","7.6493","0.0003","10.2128","0.0005","90","","90","","90","","521.82","0.04","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","2,3,5,6-tetrafluoropyridine","","","- C5 H F4 N -","- C5 H F4 N -","- C20 H4 F16 N4 -","4","0.5","","Stammler, Hans-Georg; Vishnevskiy, Yury V.; Sicking, Constantin; Mitzel, Norbert W.","Charge density studies on 2,3,5,6-tetrafluoro- and pentafluoropyridine","CrystEngComm","2013","15","18","3536","","10.1039/c3ce40332g","","","0.71073","MoKα","","0.041","0.0202","","","","0.0221","0.0184","","","","","2.106","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209820","10.8764","0.0007","10.2849","0.001","11.1336","0.0015","90","","116.979","0.005","90","","1109.9","0.2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Pyridine, 2,3,4,5,6-pentafluoro-","","","- C5 F5 N -","- C5 F5 N -","- C40 F40 N8 -","8","2","","Stammler, Hans-Georg; Vishnevskiy, Yury V.; Sicking, Constantin; Mitzel, Norbert W.","Charge density studies on 2,3,5,6-tetrafluoro- and pentafluoropyridine","CrystEngComm","2013","15","18","3536","","10.1039/c3ce40332g","","","0.71073","MoKα","","0.066","0.0295","","","","0.0326","0.024","","","","","2.944","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209821","14.9116","0.0006","21.1567","0.0009","16.8197","0.0006","90","","110.715","0.001","90","","4963.2","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H51 Cu N6 O4 P2 -","- C55 H51 Cu N6 O4 P2 -","- C220 H204 Cu4 N24 O16 P8 -","4","1","","Pettinari, Claudio; Marchetti, Fabio; Orbisaglia, Serena; Pettinari, Riccardo; Ngoune, Jean; Gómez, Margarita; Santos, Carina; Álvarez, Eleuterio","Group 11 complexes with the bidentate di(1H-indazol-1-yl)methane and di(2H-indazol-2-yl)methane) ligands","CrystEngComm","2013","15","19","3892","","10.1039/c3ce40355f","","","0.71073","MoKα","","0.0922","0.0671","","","0.2002","0.2188","","","","","","1.088","","","","has coordinates,has disorder","180429","2020-10-21","18:00:00",""
"7209822","11.7362","0.0002","12.7941","0.0003","13.0346","0.0003","79.994","0.001","85.875","0.001","74.651","0.0009","1857.99","0.07","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H30 Cu F6 N8 O5 -","- C36 H30 Cu F6 N8 O5 -","- C72 H60 Cu2 F12 N16 O10 -","2","1","","Pettinari, Claudio; Marchetti, Fabio; Orbisaglia, Serena; Pettinari, Riccardo; Ngoune, Jean; Gómez, Margarita; Santos, Carina; Álvarez, Eleuterio","Group 11 complexes with the bidentate di(1H-indazol-1-yl)methane and di(2H-indazol-2-yl)methane) ligands","CrystEngComm","2013","15","19","3892","","10.1039/c3ce40355f","","","0.71073","MoKα","","0.0615","0.0575","","","0.1718","0.1762","","","","","","1.066","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209823","18.311","0.0007","15.5229","0.0006","13.5546","0.0009","90","","128.044","0.001","90","","3034.2","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H24 Cl4 Cu2 N8 -","- C30 H24 Cl4 Cu2 N8 -","- C120 H96 Cl16 Cu8 N32 -","4","0.5","","Pettinari, Claudio; Marchetti, Fabio; Orbisaglia, Serena; Pettinari, Riccardo; Ngoune, Jean; Gómez, Margarita; Santos, Carina; Álvarez, Eleuterio","Group 11 complexes with the bidentate di(1H-indazol-1-yl)methane and di(2H-indazol-2-yl)methane) ligands","CrystEngComm","2013","15","19","3892","","10.1039/c3ce40355f","","","0.71073","MoKα","","0.0541","0.0407","","","0.1065","0.1117","","","","","","1.052","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209824","9.4972","0.0004","18.641","0.0007","21.2437","0.0007","90","","90","","90","","3760.9","0.2","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H19 Cl2 Cu N5 O -","- C18 H19 Cl2 Cu N5 O -","- C144 H152 Cl16 Cu8 N40 O8 -","8","1","","Pettinari, Claudio; Marchetti, Fabio; Orbisaglia, Serena; Pettinari, Riccardo; Ngoune, Jean; Gómez, Margarita; Santos, Carina; Álvarez, Eleuterio","Group 11 complexes with the bidentate di(1H-indazol-1-yl)methane and di(2H-indazol-2-yl)methane) ligands","CrystEngComm","2013","15","19","3892","","10.1039/c3ce40355f","","","0.71073","MoKα","","0.0315","0.0266","","","0.0688","0.071","","","","","","1.063","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209825","11.113","0.0003","12.054","0.0003","20.2158","0.0005","90","","95.667","0.001","90","","2694.79","0.12","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Ag N9 O3 -","- C30 H24 Ag N9 O3 -","- C120 H96 Ag4 N36 O12 -","4","1","","Pettinari, Claudio; Marchetti, Fabio; Orbisaglia, Serena; Pettinari, Riccardo; Ngoune, Jean; Gómez, Margarita; Santos, Carina; Álvarez, Eleuterio","Group 11 complexes with the bidentate di(1H-indazol-1-yl)methane and di(2H-indazol-2-yl)methane) ligands","CrystEngComm","2013","15","19","3892","","10.1039/c3ce40355f","","","0.71073","MoKα","","0.0358","0.0273","","","0.0634","0.0663","","","","","","1.04","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209826","13.0088","0.0007","15.4845","0.0008","14.3809","0.0008","90","","106.056","0.002","90","","2783.8","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Ag N9 O3 -","- C30 H24 Ag N9 O3 -","- C120 H96 Ag4 N36 O12 -","4","1","","Pettinari, Claudio; Marchetti, Fabio; Orbisaglia, Serena; Pettinari, Riccardo; Ngoune, Jean; Gómez, Margarita; Santos, Carina; Álvarez, Eleuterio","Group 11 complexes with the bidentate di(1H-indazol-1-yl)methane and di(2H-indazol-2-yl)methane) ligands","CrystEngComm","2013","15","19","3892","","10.1039/c3ce40355f","","","0.71073","MoKα","","0.0538","0.0377","","","0.0928","0.1016","","","","","","1.049","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209827","8.3882","0.0015","14.56","0.003","15.502","0.003","71.291","0.004","89.483","0.005","80.025","0.004","1763.9","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H24 Ag2 F6 N8 O4 -","- C34 H24 Ag2 F5.97 N8 O4 -","- C68 H48 Ag4 F11.94 N16 O8 -","2","1","","Pettinari, Claudio; Marchetti, Fabio; Orbisaglia, Serena; Pettinari, Riccardo; Ngoune, Jean; Gómez, Margarita; Santos, Carina; Álvarez, Eleuterio","Group 11 complexes with the bidentate di(1H-indazol-1-yl)methane and di(2H-indazol-2-yl)methane) ligands","CrystEngComm","2013","15","19","3892","","10.1039/c3ce40355f","","","0.71073","MoKα","","0.0718","0.0504","","","0.159","0.1964","","","","","","1.037","","","","has coordinates,has disorder","180429","2020-10-21","18:00:00",""
"7209828","12.1082","0.0003","12.1082","0.0003","24.2726","0.0007","90","","90","","90","","3558.57","0.16","173","2","173","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C17 H12 Ag F3 N4 O2 -","- C17 H12 Ag F3 N4 O2 -","- C136 H96 Ag8 F24 N32 O16 -","8","1","","Pettinari, Claudio; Marchetti, Fabio; Orbisaglia, Serena; Pettinari, Riccardo; Ngoune, Jean; Gómez, Margarita; Santos, Carina; Álvarez, Eleuterio","Group 11 complexes with the bidentate di(1H-indazol-1-yl)methane and di(2H-indazol-2-yl)methane) ligands","CrystEngComm","2013","15","19","3892","","10.1039/c3ce40355f","","","0.71073","MoKα","","0.0407","0.0354","","","0.0946","0.0993","","","","","","1.07","","","","has coordinates,has disorder","180429","2020-10-21","18:00:00",""
"7209829","43.4103","0.0009","12.3013","0.0003","19.7415","0.0004","90","","112.011","0.001","90","","9773.6","0.4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H27 Ag N8 O3 S -","- C31 H27 Ag N8 O3 S -","- C372 H324 Ag12 N96 O36 S12 -","12","1.5","","Pettinari, Claudio; Marchetti, Fabio; Orbisaglia, Serena; Pettinari, Riccardo; Ngoune, Jean; Gómez, Margarita; Santos, Carina; Álvarez, Eleuterio","Group 11 complexes with the bidentate di(1H-indazol-1-yl)methane and di(2H-indazol-2-yl)methane) ligands","CrystEngComm","2013","15","19","3892","","10.1039/c3ce40355f","","","0.71073","MoKα","","0.0989","0.0643","","","0.1459","0.21","","","","","","1.106","","","","has coordinates,has disorder","180429","2020-10-21","18:00:00",""
"7209830","6.8541","0.0004","10.2636","0.0006","12.8115","0.0007","90.296","0.002","100.408","0.001","95.783","0.001","881.67","0.09","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H15 Ag N4 O3 S -","- C16 H15 Ag N4 O3 S -","- C32 H30 Ag2 N8 O6 S2 -","2","1","","Pettinari, Claudio; Marchetti, Fabio; Orbisaglia, Serena; Pettinari, Riccardo; Ngoune, Jean; Gómez, Margarita; Santos, Carina; Álvarez, Eleuterio","Group 11 complexes with the bidentate di(1H-indazol-1-yl)methane and di(2H-indazol-2-yl)methane) ligands","CrystEngComm","2013","15","19","3892","","10.1039/c3ce40355f","","","0.71073","MoKα","","0.03","0.0265","","","0.074","0.0765","","","","","","1.069","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209831","12.0012","0.0008","12.6108","0.0008","21.0839","0.0014","81.438","0.002","85.256","0.002","74.156","0.001","3032.5","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C62 H48 Ag2 F6 N16 O6 S2 -","- C62 H48 Ag2 F6 N16 O6 S2 -","- C124 H96 Ag4 F12 N32 O12 S4 -","2","1","","Pettinari, Claudio; Marchetti, Fabio; Orbisaglia, Serena; Pettinari, Riccardo; Ngoune, Jean; Gómez, Margarita; Santos, Carina; Álvarez, Eleuterio","Group 11 complexes with the bidentate di(1H-indazol-1-yl)methane and di(2H-indazol-2-yl)methane) ligands","CrystEngComm","2013","15","19","3892","","10.1039/c3ce40355f","","","0.71073","MoKα","","0.1136","0.0634","","","0.148","0.1759","","","","","","1.018","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209832","11.3429","0.0003","12.3026","0.0004","20.4226","0.0006","90","","95.378","0.001","90","","2837.37","0.15","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Ag Cl N8 O4 -","- C30 H24 Ag Cl N8 O4 -","- C120 H96 Ag4 Cl4 N32 O16 -","4","1","","Pettinari, Claudio; Marchetti, Fabio; Orbisaglia, Serena; Pettinari, Riccardo; Ngoune, Jean; Gómez, Margarita; Santos, Carina; Álvarez, Eleuterio","Group 11 complexes with the bidentate di(1H-indazol-1-yl)methane and di(2H-indazol-2-yl)methane) ligands","CrystEngComm","2013","15","19","3892","","10.1039/c3ce40355f","","","0.71073","MoKα","","0.0534","0.0413","","","0.1092","0.1177","","","","","","1.041","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209833","11.323","0.0007","12.173","0.0008","20.4002","0.0013","90","","95.93","0.001","90","","2796.8","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Ag B F4 N8 -","- C30 H24 Ag B F4 N8 -","- C120 H96 Ag4 B4 F16 N32 -","4","1","","Pettinari, Claudio; Marchetti, Fabio; Orbisaglia, Serena; Pettinari, Riccardo; Ngoune, Jean; Gómez, Margarita; Santos, Carina; Álvarez, Eleuterio","Group 11 complexes with the bidentate di(1H-indazol-1-yl)methane and di(2H-indazol-2-yl)methane) ligands","CrystEngComm","2013","15","19","3892","","10.1039/c3ce40355f","","","0.71073","MoKα","","0.0376","0.0324","","","0.0842","0.0874","","","","","","1.057","","","","has coordinates,has disorder","180429","2020-10-21","18:00:00",""
"7209834","10.5418","0.0006","10.6453","0.0007","10.6524","0.0006","67.967","0.001","71.49","0.002","78.281","0.002","1045.98","0.11","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H12 Au2 Cl6 N4 -","- C15 H12 Au2 Cl6 N4 -","- C30 H24 Au4 Cl12 N8 -","2","1","","Pettinari, Claudio; Marchetti, Fabio; Orbisaglia, Serena; Pettinari, Riccardo; Ngoune, Jean; Gómez, Margarita; Santos, Carina; Álvarez, Eleuterio","Group 11 complexes with the bidentate di(1H-indazol-1-yl)methane and di(2H-indazol-2-yl)methane) ligands","CrystEngComm","2013","15","19","3892","","10.1039/c3ce40355f","","","0.71073","MoKα","","0.0319","0.0221","","","0.0418","0.0447","","","","","","1","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209835","7.9242","0.0007","15.9274","0.0012","20.1872","0.0016","90","","90","","90","","2547.9","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 Au2 Cl6 N6 -","- C19 H18 Au2 Cl6 N6 -","- C76 H72 Au8 Cl24 N24 -","4","1","","Pettinari, Claudio; Marchetti, Fabio; Orbisaglia, Serena; Pettinari, Riccardo; Ngoune, Jean; Gómez, Margarita; Santos, Carina; Álvarez, Eleuterio","Group 11 complexes with the bidentate di(1H-indazol-1-yl)methane and di(2H-indazol-2-yl)methane) ligands","CrystEngComm","2013","15","19","3892","","10.1039/c3ce40355f","","","0.71073","MoKα","","0.0263","0.0239","","","0.0568","0.0577","","","","","","1.045","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209836","17.198","0.0008","5.0156","0.0002","27.3815","0.0015","90","","97.311","0.002","90","","2342.68","0.19","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Indomethacin Nicotinamide (1/1)","2-[1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetic acid Pyridine-3-carboxamide (1/1)","","- C25 H22 Cl N3 O5 -","- C25 H22 Cl N3 O5 -","- C100 H88 Cl4 N12 O20 -","4","1","","Majumder, Mridul; Buckton, Graham; Rawlinson-Malone, Clare F.; Williams, Adrian C.; Spillman, Mark J.; Pidcock, Elna; Shankland, Kenneth","Application of hydrogen-bond propensity calculations to an indomethacin‒nicotinamide (1 : 1) co-crystal","CrystEngComm","2013","15","20","4041","","10.1039/c3ce40367j","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209837","13.253","0.013","12.775","0.012","43.66","0.04","90","","93.319","0.012","90","","7380","12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C73 H120 N2 O16 -","- C73 H120 N2 O16 -","- C292 H480 N8 O64 -","4","1","","Kumari, Harshita; Zhang, Jin; Erra, Loredana; Barbour, Leonard J.; Deakyne, Carol A.; Atwood, Jerry L.","Cocrystals of gabapentin with C-alkylresorcin[4]arenes","CrystEngComm","2013","15","20","4045","","10.1039/c3ce40441b","","","0.71073","MoKα","","0.1493","0.0868","","","0.2262","0.2776","","","","","","1.015","","","","has coordinates,has disorder","180429","2020-10-21","18:00:00",""
"7209838","15.554","0.006","17.839","0.007","20.092","0.008","104.263","0.005","92.785","0.005","91.068","0.005","5394","4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C51 H73 N O17.63 -","- C51 H73 N O17.6315 -","- C204 H292 N4 O70.526 -","4","2","","Kumari, Harshita; Zhang, Jin; Erra, Loredana; Barbour, Leonard J.; Deakyne, Carol A.; Atwood, Jerry L.","Cocrystals of gabapentin with C-alkylresorcin[4]arenes","CrystEngComm","2013","15","20","4045","","10.1039/c3ce40441b","","","0.71073","MoKα","","0.1274","0.0769","","","0.207","0.2482","","","","","","1.015","","","","has coordinates,has disorder","180429","2020-10-21","18:00:00",""
"7209843","7.9448","0.0012","11.1929","0.0017","18","0.003","85.128","0.002","81.477","0.002","85.234","0.002","1573.2","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H38 Cd2 N4 O16 -","- C23 H34 Cd2 N4 O16 -","- C46 H68 Cd4 N8 O32 -","2","1","","Wilson, Julie A.; Uebler, Jacob W.; LaDuca, Robert L.","Cadmium adipate coordination polymers prepared with isomeric pyridylamide precursors: pH-dependent in situ reaction chemistry and divergent dimensionalities","CrystEngComm","2013","15","26","5218","","10.1039/c2ce26583d","","","0.71073","MoKα","","0.0881","0.0621","","","0.1599","0.1685","","","","","","1.132","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209844","7.9857","0.0008","17.5783","0.0017","16.1584","0.0016","90","","94.614","0.001","90","","2260.9","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 Cd N4 O8 -","- C20 H21 Cd N4 O8 -","- C80 H84 Cd4 N16 O32 -","4","1","","Wilson, Julie A.; Uebler, Jacob W.; LaDuca, Robert L.","Cadmium adipate coordination polymers prepared with isomeric pyridylamide precursors: pH-dependent in situ reaction chemistry and divergent dimensionalities","CrystEngComm","2013","15","26","5218","","10.1039/c2ce26583d","","","0.71073","MoKα","","0.042","0.0345","","","0.0683","0.0703","","","","","","1.122","","","","has coordinates,has disorder","180429","2020-10-21","18:00:00",""
"7209845","8.506","0.007","10.573","0.009","20.792","0.018","78.711","0.015","79.649","0.015","88.877","0.015","1804","3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H38 Cd2 N6 O12 -","- C34 H38 Cd2 N6 O12 -","- C68 H76 Cd4 N12 O24 -","2","1","","Wilson, Julie A.; Uebler, Jacob W.; LaDuca, Robert L.","Cadmium adipate coordination polymers prepared with isomeric pyridylamide precursors: pH-dependent in situ reaction chemistry and divergent dimensionalities","CrystEngComm","2013","15","26","5218","","10.1039/c2ce26583d","","","0.71073","MoKα","","0.084","0.0583","","","0.1487","0.1625","","","","","","1.027","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209846","5.6991","0.0007","9.5878","0.0012","14.1723","0.0018","74.213","0.001","89.714","0.001","84.881","0.001","742.07","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H34 Cd N6 O10 -","- C28 H34 Cd N6 O10 -","- C28 H34 Cd N6 O10 -","1","0.5","","Wilson, Julie A.; Uebler, Jacob W.; LaDuca, Robert L.","Cadmium adipate coordination polymers prepared with isomeric pyridylamide precursors: pH-dependent in situ reaction chemistry and divergent dimensionalities","CrystEngComm","2013","15","26","5218","","10.1039/c2ce26583d","","","0.71073","MoKα","","0.0257","0.0233","","","0.0467","0.0473","","","","","","1.013","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209847","8.1772","0.0012","16.157","0.002","3.6286","0.0005","90","","101.399","0.001","90","","469.95","0.11","296","2","296","2","","","","","","","","4","C 1 m 1","C -2y","8","","","","- B3 Ca4 O10 Pr -","- B3 Ca4 O10 Pr -","- B6 Ca8 O20 Pr2 -","2","0.5","","Yu, Fapeng; Zhang, Shujun; Cheng, Xiufeng; Duan, Xiulan; Ma, Tingfeng; Zhao, Xian","Crystal growth, structure and thermal properties of noncentrosymmetric single crystals PrCa4O(BO3)3","CrystEngComm","2013","15","26","5226","","10.1039/c3ce00024a","","","0.71073","MoKα","","0.0153","0.0152","","","0.0305","0.0305","","","","","","0.957","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209848","17.222","0.003","21.526","0.004","26.316","0.009","90","","109.84","0.03","90","","9177","4","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C18 H53 As2 Na6 Ni4 O83.5 Ru3 W17 -","- C18 H18 As2 Na4 Ni4 O83.5 Ru3 W17 -","- C72 H72 As8 Na16 Ni16 O334 Ru12 W68 -","4","1","","Meng, Rui-Qi; Suo, Lin; Hou, Guang-Feng; Liang, Jing; Bi, Li-Hua; Li, Hao-Long; Wu, Li-Xin","Organo-Ru supported sandwich-type tungstoarsenates: synthesis, structure and catalytic properties","CrystEngComm","2013","15","29","5867","","10.1039/c3ce00045a","","","0.71073","MoKα","","0.1115","0.0653","","","0.1252","0.1425","","","","","","1.05","","","","has coordinates","290444","2024-03-12","09:55:30",""
"7209849","17.345","0.004","21.607","0.004","26.322","0.005","90","","110.05","0.02","90","","9267","3","293","2","293","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C18 H56 As2 K1.5 Na4.5 O84.5 Ru3 W17 Zn4 -","- C18 H18 As2 K1.5 Na4.5 O85.5 Ru3 W17 Zn4 -","- C72 H72 As8 K6 Na18 O342 Ru12 W68 Zn16 -","4","1","","Meng, Rui-Qi; Suo, Lin; Hou, Guang-Feng; Liang, Jing; Bi, Li-Hua; Li, Hao-Long; Wu, Li-Xin","Organo-Ru supported sandwich-type tungstoarsenates: synthesis, structure and catalytic properties","CrystEngComm","2013","15","29","5867","","10.1039/c3ce00045a","","","0.71073","MoKα","","0.0878","0.0547","","","0.1121","0.1247","","","","","","1.021","","","","has coordinates","290444","2024-03-12","09:55:30",""
"7209850","7.1312","0.0012","9.5963","0.0016","12.431","0.002","100.546","0.002","98.09","0.002","95.025","0.002","822.4","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H16 Cl Er N2 O14 -","- C9 H16 Cl Er N2 O14 -","- C18 H32 Cl2 Er2 N4 O28 -","2","1","","Hong, Xu-Jia; Wang, Ming-Fang; Jin, Hong-Guang; Zhan, Qing-Guang; Liu, Yi-Ting; Jia, Hong-Yang; Liu, Xiang; Cai, Yue-Peng","Single-crystal to single-crystal transformation from a 1-D chain-like structure to a 2-D coordination polymer on heating","CrystEngComm","2013","15","28","5606","","10.1039/c3ce00060e","","","0.71073","MoKα","","0.0298","0.0283","","","0.0756","0.0764","","","","","","1.043","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209851","6.8722","0.0009","7.8857","0.0011","10.9592","0.0015","101.529","0.002","106.681","0.002","95.551","0.002","549.87","0.13","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H4 Cl Er N2 O8 -","- C9 H4 Cl Er N2 O8 -","- C18 H8 Cl2 Er2 N4 O16 -","2","1","","Hong, Xu-Jia; Wang, Ming-Fang; Jin, Hong-Guang; Zhan, Qing-Guang; Liu, Yi-Ting; Jia, Hong-Yang; Liu, Xiang; Cai, Yue-Peng","Single-crystal to single-crystal transformation from a 1-D chain-like structure to a 2-D coordination polymer on heating","CrystEngComm","2013","15","28","5606","","10.1039/c3ce00060e","","","0.71073","MoKα","","0.0259","0.0241","","","0.0584","0.0594","","","","","","1.021","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209852","7.044","","10.511","","9.693","","90","","106.24","","90","","689.029","","298","2","298","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C10 H6 Cl2 Cu2 N4 O4 -","- C10 H6 Cl2 Cu2 N4 O4 -","- C20 H12 Cl4 Cu4 N8 O8 -","2","1","","Wen, Zhen-Zhen; Wen, Xi-Ling; Cai, Song-Liang; Zheng, Sheng-Run; Fan, Jun; Zhang, Wei-Guang","The construction of Cu(i)/Cu(ii) coordination polymers based on pyrazine‒carboxylate: Structural diversity tuned by in situ hydrolysis reaction","CrystEngComm","2013","15","26","5359","","10.1039/c3ce26817a","","","0.71073","MoKα","","0.1202","0.0942","","","0.2265","0.2602","","","","","","1.048","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209853","11.545","0.007","7.765","0.005","14.669","0.009","90","","95.146","0.008","90","","1309.7","1.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Cl Cu2 N4 O5 -","- C10 H8 Cl Cu2 N4 O5 -","- C40 H32 Cl4 Cu8 N16 O20 -","4","1","","Wen, Zhen-Zhen; Wen, Xi-Ling; Cai, Song-Liang; Zheng, Sheng-Run; Fan, Jun; Zhang, Wei-Guang","The construction of Cu(i)/Cu(ii) coordination polymers based on pyrazine‒carboxylate: Structural diversity tuned by in situ hydrolysis reaction","CrystEngComm","2013","15","26","5359","","10.1039/c3ce26817a","","","0.71073","MoKα","","0.1617","0.1278","","","0.2654","0.2857","","","","","","0.984","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209854","7.6664","0.0016","31.951","0.007","15.481","0.003","90","","90","","90","","3792.1","1.4","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C10 H10 Cu3 I2 N4 O6 -","- C10 H10 Cu3 I2 N4 O6 -","- C80 H80 Cu24 I16 N32 O48 -","8","1","","Wen, Zhen-Zhen; Wen, Xi-Ling; Cai, Song-Liang; Zheng, Sheng-Run; Fan, Jun; Zhang, Wei-Guang","The construction of Cu(i)/Cu(ii) coordination polymers based on pyrazine‒carboxylate: Structural diversity tuned by in situ hydrolysis reaction","CrystEngComm","2013","15","26","5359","","10.1039/c3ce26817a","","","0.71073","MoKα","","0.1308","0.0867","","","0.1536","0.1696","","","","","","1.087","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209855","10.2783","0.0007","9.3993","0.0007","17.5516","0.0012","90","","103.055","0.001","90","","1651.8","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 Cd N6 O5 -","- C14 H9 Cd N6 O5 -","- C56 H36 Cd4 N24 O20 -","4","1","","Chen, Shui-Sheng; Qiao, Rui; Sheng, Liang-Quan; Zhao, Yue; Yang, Song; Chen, Ming-Ming; Liu, Zhao-Di; Wang, Dei-Hai","Cadmium(ii) and zinc(ii) complexes with rigid 1-(1H-imidazol-4-yl)-3-(4H-tetrazol-5-yl)benzene and varied carboxylate ligands","CrystEngComm","2013","15","28","5713","","10.1039/c3ce40150b","","","0.71073","MoKα","","0.0301","0.0258","","","0.0894","0.1047","","","","","","1.008","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209856","23.6066","0.0015","10.0599","0.0006","17.7135","0.0011","90","","124.836","0.001","90","","3452.7","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H9 Cd N6 O6 -","- C14 H9 Cd N6 O6 -","- C112 H72 Cd8 N48 O48 -","8","1","","Chen, Shui-Sheng; Qiao, Rui; Sheng, Liang-Quan; Zhao, Yue; Yang, Song; Chen, Ming-Ming; Liu, Zhao-Di; Wang, Dei-Hai","Cadmium(ii) and zinc(ii) complexes with rigid 1-(1H-imidazol-4-yl)-3-(4H-tetrazol-5-yl)benzene and varied carboxylate ligands","CrystEngComm","2013","15","28","5713","","10.1039/c3ce40150b","","","0.71073","MoKα","","0.0401","0.0307","","","0.1122","0.144","","","","","","1.015","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209857","6.9138","0.0009","17.721","0.002","15.812","0.002","90","","100.216","0.002","90","","1906.6","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 Cd N6 O5 -","- C19 H14 Cd N6 O5 -","- C76 H56 Cd4 N24 O20 -","4","1","","Chen, Shui-Sheng; Qiao, Rui; Sheng, Liang-Quan; Zhao, Yue; Yang, Song; Chen, Ming-Ming; Liu, Zhao-Di; Wang, Dei-Hai","Cadmium(ii) and zinc(ii) complexes with rigid 1-(1H-imidazol-4-yl)-3-(4H-tetrazol-5-yl)benzene and varied carboxylate ligands","CrystEngComm","2013","15","28","5713","","10.1039/c3ce40150b","","","0.71073","MoKα","","0.0274","0.0235","","","0.0783","0.0908","","","","","","1.003","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209858","7.6227","0.0004","10.5639","0.0005","12.0613","0.0006","68.254","0.001","84.76","0.001","76.642","0.001","877.7","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H9 Cd N6 O7 -","- C15 H9 Cd N6 O7 -","- C30 H18 Cd2 N12 O14 -","2","1","","Chen, Shui-Sheng; Qiao, Rui; Sheng, Liang-Quan; Zhao, Yue; Yang, Song; Chen, Ming-Ming; Liu, Zhao-Di; Wang, Dei-Hai","Cadmium(ii) and zinc(ii) complexes with rigid 1-(1H-imidazol-4-yl)-3-(4H-tetrazol-5-yl)benzene and varied carboxylate ligands","CrystEngComm","2013","15","28","5713","","10.1039/c3ce40150b","","","0.71073","MoKα","","0.0322","0.0265","","","0.0875","0.1133","","","","","","1.038","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209859","17.9451","0.0011","8.3941","0.0005","19.5874","0.0012","90","","90","","90","","2950.5","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H9 N6 O4 Zn -","- C15 H9 N6 O4 Zn -","- C120 H72 N48 O32 Zn8 -","8","1","","Chen, Shui-Sheng; Qiao, Rui; Sheng, Liang-Quan; Zhao, Yue; Yang, Song; Chen, Ming-Ming; Liu, Zhao-Di; Wang, Dei-Hai","Cadmium(ii) and zinc(ii) complexes with rigid 1-(1H-imidazol-4-yl)-3-(4H-tetrazol-5-yl)benzene and varied carboxylate ligands","CrystEngComm","2013","15","28","5713","","10.1039/c3ce40150b","","","0.71073","MoKα","","0.0476","0.0297","","","0.1041","0.1383","","","","","","1.098","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209860","12.8475","0.001","19.5073","0.0015","17.9838","0.0013","90","","95.312","0.001","90","","4487.7","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H27 N18 O12 Zn3 -","- C45 H27 N18 O12 Zn3 -","- C180 H108 N72 O48 Zn12 -","4","1","","Chen, Shui-Sheng; Qiao, Rui; Sheng, Liang-Quan; Zhao, Yue; Yang, Song; Chen, Ming-Ming; Liu, Zhao-Di; Wang, Dei-Hai","Cadmium(ii) and zinc(ii) complexes with rigid 1-(1H-imidazol-4-yl)-3-(4H-tetrazol-5-yl)benzene and varied carboxylate ligands","CrystEngComm","2013","15","28","5713","","10.1039/c3ce40150b","","","0.71073","MoKα","","0.0734","0.0395","","","0.108","0.137","","","","","","1.037","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209861","10.5471","0.0005","11.3694","0.0006","12.8451","0.0007","105.556","0.001","102.637","0.001","101.969","0.001","1388.74","0.13","191","2","191","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H66 Gd2 N8 O12 -","- C60 H66 Gd2 N8 O12 -","- C60 H66 Gd2 N8 O12 -","1","0.5","","Zhao, Lang; Wu, Jianfeng; Ke, Hongshan; Tang, Jinkui","Three dinuclear lanthanide(iii) compounds of a polydentate Schiff base ligand: Slow magnetic relaxation behaviour of the DyIII derivative","CrystEngComm","2013","15","26","5301","","10.1039/c3ce40153g","","","0.71073","MoKα","","0.0336","0.0288","","","0.0667","0.0697","","","","","","1.052","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209862","10.5341","0.0004","11.3689","0.0005","12.817","0.0006","105.56","0.001","102.874","0.001","101.815","0.001","1383.19","0.1","191","2","191","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H66 N8 O12 Tb2 -","- C60 H66 N8 O12 Tb2 -","- C60 H66 N8 O12 Tb2 -","1","0.5","","Zhao, Lang; Wu, Jianfeng; Ke, Hongshan; Tang, Jinkui","Three dinuclear lanthanide(iii) compounds of a polydentate Schiff base ligand: Slow magnetic relaxation behaviour of the DyIII derivative","CrystEngComm","2013","15","26","5301","","10.1039/c3ce40153g","","","0.71073","MoKα","","0.0359","0.03","","","0.0666","0.0698","","","","","","1.054","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209863","12.2399","0.0005","18.9948","0.0008","14.4502","0.0006","90","","95.78","0.001","90","","3342.5","0.2","191","2","191","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C68 H78 Dy2 N12 O12 -","- C68 H78 Dy2 N12 O12 -","- C136 H156 Dy4 N24 O24 -","2","0.5","","Zhao, Lang; Wu, Jianfeng; Ke, Hongshan; Tang, Jinkui","Three dinuclear lanthanide(iii) compounds of a polydentate Schiff base ligand: Slow magnetic relaxation behaviour of the DyIII derivative","CrystEngComm","2013","15","26","5301","","10.1039/c3ce40153g","","","0.71073","MoKα","","0.0294","0.0233","","","0.0594","0.0623","","","","","","1.107","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209864","12.34","0.003","7.8967","0.0015","14.187","0.003","90","","100.414","0.003","90","","1359.7","0.5","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","? 4-(2-Chlorophenyl)-1-(2-nitrophenyl)-1H-1,2,3-triazole","","- C14 H9 Cl N4 O2 -","- C14 H9 Cl N4 O2 -","- C56 H36 Cl4 N16 O8 -","4","1","","Ramana, C. V.; Goriya, Yogesh; Durugkar, Kulbhushan A.; Chatterjee, Soumitra; Krishnaswamy, Shobhana; Gonnade, Rajesh G.","Evaluation of viability of halogen⋯O2N interactions: Insight from crystal packing in a series of isomeric halo and nitro substituted triaryl compounds with modular positioning of halogen and NO2 groups","CrystEngComm","2013","15","26","5283","","10.1039/c3ce40192h","","","0.71073","MoKα","","0.0488","0.0359","","","0.0887","0.0959","","","","","","1.03","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209865","7.705","0.018","7.191","0.018","12.34","0.03","90","","92.39","0.07","90","","683","3","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","","? 4-(3-Chlorophenyl)-1-(2-nitrophenyl)-1H-1,2,3-triazole","","- C14 H9 Cl N4 O2 -","- C14 H9 Cl N4 O2 -","- C28 H18 Cl2 N8 O4 -","2","1","","Ramana, C. V.; Goriya, Yogesh; Durugkar, Kulbhushan A.; Chatterjee, Soumitra; Krishnaswamy, Shobhana; Gonnade, Rajesh G.","Evaluation of viability of halogen⋯O2N interactions: Insight from crystal packing in a series of isomeric halo and nitro substituted triaryl compounds with modular positioning of halogen and NO2 groups","CrystEngComm","2013","15","26","5283","","10.1039/c3ce40192h","","","0.71073","MoKα","","0.0845","0.0697","","","0.1752","0.1845","","","","","","1.088","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209866","10.8467","0.0015","14.129","0.002","26.79","0.004","90","","90","","90","","4105.6","1","297","2","297","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","? 4-(4-Chlorophenyl)-1-(2-nitrophenyl)-1H-1,2,3-triazole","","- C14 H9 Cl N4 O2 -","- C14 H9 Cl N4 O2 -","- C168 H108 Cl12 N48 O24 -","12","3","","Ramana, C. V.; Goriya, Yogesh; Durugkar, Kulbhushan A.; Chatterjee, Soumitra; Krishnaswamy, Shobhana; Gonnade, Rajesh G.","Evaluation of viability of halogen⋯O2N interactions: Insight from crystal packing in a series of isomeric halo and nitro substituted triaryl compounds with modular positioning of halogen and NO2 groups","CrystEngComm","2013","15","26","5283","","10.1039/c3ce40192h","","","0.71073","MoKα","","0.0859","0.0449","","","0.0761","0.0883","","","","","","1.026","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209867","12.448","0.004","6.999","0.002","15.083","0.004","90","","95.273","0.006","90","","1308.5","0.7","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","? 4-(2-Chlorophenyl)-1-(3-nitrophenyl)-1H-1,2,3-triazole","","- C14 H9 Cl N4 O2 -","- C14 H9 Cl N4 O2 -","- C56 H36 Cl4 N16 O8 -","4","1","","Ramana, C. V.; Goriya, Yogesh; Durugkar, Kulbhushan A.; Chatterjee, Soumitra; Krishnaswamy, Shobhana; Gonnade, Rajesh G.","Evaluation of viability of halogen⋯O2N interactions: Insight from crystal packing in a series of isomeric halo and nitro substituted triaryl compounds with modular positioning of halogen and NO2 groups","CrystEngComm","2013","15","26","5283","","10.1039/c3ce40192h","","","0.71073","MoKα","","0.1069","0.0844","","","0.1507","0.1596","","","","","","1.243","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7209868","7.08","0.002","8.369","0.002","13.026","0.004","102.628","0.004","94.538","0.005","114.741","0.004","671.2","0.3","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","? 4-(3-Chlorophenyl)-1-(3-nitrophenyl)-1H-1,2,3-triazole","","- C14 H9 Cl N4 O2 -","- C14 H9 Cl N4 O2 -","- C28 H18 Cl2 N8 O4 -","2","1","","Ramana, C. V.; Goriya, Yogesh; Durugkar, Kulbhushan A.; Chatterjee, Soumitra; Krishnaswamy, Shobhana; Gonnade, Rajesh G.","Evaluation of viability of halogen⋯O2N interactions: Insight from crystal packing in a series of isomeric halo and nitro substituted triaryl compounds with modular positioning of halogen and NO2 groups","CrystEngComm","2013","15","26","5283","","10.1039/c3ce40192h","","","0.71073","MoKα","","0.1067","0.0821","","","0.1925","0.205","","","","","","1.167","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209869","8.55","0.005","5.256","0.003","29.749","0.018","90","","96.543","0.01","90","","1328.2","1.4","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","? 4-(3-Chlorophenyl)-1-(4-nitrophenyl)-1H-1,2,3-triazole","","- C14 H9 Cl N4 O2 -","- C14 H9 Cl N4 O2 -","- C56 H36 Cl4 N16 O8 -","4","1","","Ramana, C. V.; Goriya, Yogesh; Durugkar, Kulbhushan A.; Chatterjee, Soumitra; Krishnaswamy, Shobhana; Gonnade, Rajesh G.","Evaluation of viability of halogen⋯O2N interactions: Insight from crystal packing in a series of isomeric halo and nitro substituted triaryl compounds with modular positioning of halogen and NO2 groups","CrystEngComm","2013","15","26","5283","","10.1039/c3ce40192h","","","0.71073","MoKα","","0.0993","0.0649","","","0.1399","0.1594","","","","","","1.043","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209870","7.013","0.004","7.312","0.004","13.309","0.007","94.793","0.008","96.114","0.008","107.261","0.008","643.2","0.6","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","? 4-(4-Chlorophenyl)-1-(2-nitrophenyl)-1H-1,2,3-triazole","","- C14 H9 Cl N4 O2 -","- C14 H9 Cl N4 O2 -","- C28 H18 Cl2 N8 O4 -","2","1","","Ramana, C. V.; Goriya, Yogesh; Durugkar, Kulbhushan A.; Chatterjee, Soumitra; Krishnaswamy, Shobhana; Gonnade, Rajesh G.","Evaluation of viability of halogen⋯O2N interactions: Insight from crystal packing in a series of isomeric halo and nitro substituted triaryl compounds with modular positioning of halogen and NO2 groups","CrystEngComm","2013","15","26","5283","","10.1039/c3ce40192h","","","0.71073","MoKα","","0.0634","0.0527","","","0.1434","0.1507","","","","","","1.07","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209871","7.587","0.008","13.601","0.014","13.338","0.013","90","","91.266","0.017","90","","1376","2","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","? 4-(4-Chlorophenyl)-1-(3-nitrophenyl)-1H-1,2,3-triazole","","- C14 H9 Cl N4 O2 -","- C14 H9 Cl N4 O2 -","- C56 H36 Cl4 N16 O8 -","4","1","","Ramana, C. V.; Goriya, Yogesh; Durugkar, Kulbhushan A.; Chatterjee, Soumitra; Krishnaswamy, Shobhana; Gonnade, Rajesh G.","Evaluation of viability of halogen⋯O2N interactions: Insight from crystal packing in a series of isomeric halo and nitro substituted triaryl compounds with modular positioning of halogen and NO2 groups","CrystEngComm","2013","15","26","5283","","10.1039/c3ce40192h","","","0.71073","MoKα","","0.1394","0.1","","","0.247","0.2781","","","","","","1.024","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209872","7.954","0.007","13.263","0.011","12.684","0.011","90","","94.559","0.014","90","","1334","2","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","? 4-(4-Chlorophenyl)-1-(4-nitrophenyl)-1H-1,2,3-triazole","","- C14 H9 Cl N4 O2 -","- C14 H9 Cl N4 O2 -","- C56 H36 Cl4 N16 O8 -","4","1","","Ramana, C. V.; Goriya, Yogesh; Durugkar, Kulbhushan A.; Chatterjee, Soumitra; Krishnaswamy, Shobhana; Gonnade, Rajesh G.","Evaluation of viability of halogen⋯O2N interactions: Insight from crystal packing in a series of isomeric halo and nitro substituted triaryl compounds with modular positioning of halogen and NO2 groups","CrystEngComm","2013","15","26","5283","","10.1039/c3ce40192h","","","0.71073","MoKα","","0.0637","0.0497","","","0.1148","0.1242","","","","","","1.04","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209873","5.4744","0.0014","11.366","0.003","11.235","0.003","90","","93.816","0.004","90","","697.5","0.3","190","2","190","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H9 I N4 O2 -","- C14 H9 I N4 O2 -","- C28 H18 I2 N8 O4 -","2","1","","Ramana, C. V.; Goriya, Yogesh; Durugkar, Kulbhushan A.; Chatterjee, Soumitra; Krishnaswamy, Shobhana; Gonnade, Rajesh G.","Evaluation of viability of halogen⋯O2N interactions: Insight from crystal packing in a series of isomeric halo and nitro substituted triaryl compounds with modular positioning of halogen and NO2 groups","CrystEngComm","2013","15","26","5283","","10.1039/c3ce40192h","","","0.71073","MoKα","","0.0296","0.0293","","","0.0743","0.0749","","","","","","1.043","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209874","9.4462","0.0015","7.2925","0.0011","20.875","0.003","90","","96.379","0.002","90","","1429.1","0.4","190","2","190","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H9 I N4 O2 -","- C14 H9 I N4 O2 -","- C56 H36 I4 N16 O8 -","4","1","","Ramana, C. V.; Goriya, Yogesh; Durugkar, Kulbhushan A.; Chatterjee, Soumitra; Krishnaswamy, Shobhana; Gonnade, Rajesh G.","Evaluation of viability of halogen⋯O2N interactions: Insight from crystal packing in a series of isomeric halo and nitro substituted triaryl compounds with modular positioning of halogen and NO2 groups","CrystEngComm","2013","15","26","5283","","10.1039/c3ce40192h","","","0.71073","MoKα","","0.0343","0.0316","","","0.0806","0.0828","","","","","","1.052","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209875","5.431","0.002","21.767","0.009","12.162","0.005","90","","101.372","0.007","90","","1409.5","1","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 I N4 O2 -","- C14 H9 I N4 O2 -","- C56 H36 I4 N16 O8 -","4","1","","Ramana, C. V.; Goriya, Yogesh; Durugkar, Kulbhushan A.; Chatterjee, Soumitra; Krishnaswamy, Shobhana; Gonnade, Rajesh G.","Evaluation of viability of halogen⋯O2N interactions: Insight from crystal packing in a series of isomeric halo and nitro substituted triaryl compounds with modular positioning of halogen and NO2 groups","CrystEngComm","2013","15","26","5283","","10.1039/c3ce40192h","","","0.71073","MoKα","","0.039","0.037","","","0.0934","0.0952","","","","","","1.078","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209876","8.945","0.0014","15.147","0.002","10.2164","0.0017","90","","92.321","0.003","90","","1383.1","0.4","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 I N4 O2 -","- C14 H9 I N4 O2 -","- C56 H36 I4 N16 O8 -","4","1","","Ramana, C. V.; Goriya, Yogesh; Durugkar, Kulbhushan A.; Chatterjee, Soumitra; Krishnaswamy, Shobhana; Gonnade, Rajesh G.","Evaluation of viability of halogen⋯O2N interactions: Insight from crystal packing in a series of isomeric halo and nitro substituted triaryl compounds with modular positioning of halogen and NO2 groups","CrystEngComm","2013","15","26","5283","","10.1039/c3ce40192h","","","0.71073","MoKα","","0.0334","0.0302","","","0.0781","0.0805","","","","","","1.029","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209877","8.566","0.004","8.694","0.004","10.011","0.005","85.508","0.007","71.441","0.007","72.559","0.007","674.2","0.6","190","2","190","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H9 I N4 O2 -","- C14 H9 I N4 O2 -","- C28 H18 I2 N8 O4 -","2","1","","Ramana, C. V.; Goriya, Yogesh; Durugkar, Kulbhushan A.; Chatterjee, Soumitra; Krishnaswamy, Shobhana; Gonnade, Rajesh G.","Evaluation of viability of halogen⋯O2N interactions: Insight from crystal packing in a series of isomeric halo and nitro substituted triaryl compounds with modular positioning of halogen and NO2 groups","CrystEngComm","2013","15","26","5283","","10.1039/c3ce40192h","","","0.71073","MoKα","","0.0335","0.0314","","","0.0769","0.0781","","","","","","1.089","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209878","7.587","0.004","8.31","0.004","12.755","0.006","95.053","0.007","100.946","0.007","116.761","0.007","691","0.6","190","2","190","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H9 I N4 O2 -","- C14 H9 I N4 O2 -","- C28 H18 I2 N8 O4 -","2","1","","Ramana, C. V.; Goriya, Yogesh; Durugkar, Kulbhushan A.; Chatterjee, Soumitra; Krishnaswamy, Shobhana; Gonnade, Rajesh G.","Evaluation of viability of halogen⋯O2N interactions: Insight from crystal packing in a series of isomeric halo and nitro substituted triaryl compounds with modular positioning of halogen and NO2 groups","CrystEngComm","2013","15","26","5283","","10.1039/c3ce40192h","","","0.71073","MoKα","","0.0477","0.0427","","","0.0991","0.1014","","","","","","1.138","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209879","7.1884","0.0008","11.985","0.0013","16.2685","0.0017","90","","96.66","0.002","90","","1392.1","0.3","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 I N4 O2 -","- C14 H9 I N4 O2 -","- C56 H36 I4 N16 O8 -","4","1","","Ramana, C. V.; Goriya, Yogesh; Durugkar, Kulbhushan A.; Chatterjee, Soumitra; Krishnaswamy, Shobhana; Gonnade, Rajesh G.","Evaluation of viability of halogen⋯O2N interactions: Insight from crystal packing in a series of isomeric halo and nitro substituted triaryl compounds with modular positioning of halogen and NO2 groups","CrystEngComm","2013","15","26","5283","","10.1039/c3ce40192h","","","0.71073","MoKα","","0.0418","0.0345","","","0.0776","0.0812","","","","","","1.15","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209880","7.8521","0.0011","7.089","0.001","24.5","0.003","90","","90.151","0.002","90","","1363.8","0.3","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 I N4 O2 -","- C14 H9 I N4 O2 -","- C56 H36 I4 N16 O8 -","4","1","","Ramana, C. V.; Goriya, Yogesh; Durugkar, Kulbhushan A.; Chatterjee, Soumitra; Krishnaswamy, Shobhana; Gonnade, Rajesh G.","Evaluation of viability of halogen⋯O2N interactions: Insight from crystal packing in a series of isomeric halo and nitro substituted triaryl compounds with modular positioning of halogen and NO2 groups","CrystEngComm","2013","15","26","5283","","10.1039/c3ce40192h","","","0.71073","MoKα","","0.0296","0.0281","","","0.0662","0.0672","","","","","","1.172","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209881","27.638","0.006","5.5912","0.0013","17.974","0.004","90","","96.932","0.006","90","","2757.2","1.1","190","2","190","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H9 I N4 O2 -","- C14 H9 I N4 O2 -","- C112 H72 I8 N32 O16 -","8","1","","Ramana, C. V.; Goriya, Yogesh; Durugkar, Kulbhushan A.; Chatterjee, Soumitra; Krishnaswamy, Shobhana; Gonnade, Rajesh G.","Evaluation of viability of halogen⋯O2N interactions: Insight from crystal packing in a series of isomeric halo and nitro substituted triaryl compounds with modular positioning of halogen and NO2 groups","CrystEngComm","2013","15","26","5283","","10.1039/c3ce40192h","","","0.71073","MoKα","","0.0423","0.0338","","","0.0757","0.0884","","","","","","1.127","","","","has coordinates,has disorder","180429","2020-10-21","18:00:00",""
"7209882","8.691","0.0004","12.9024","0.0007","14.6057","0.0008","90","","90","","90","","1637.81","0.15","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 Co N4 S2 -","- C14 H14 Co N4 S2 -","- C56 H56 Co4 N16 S8 -","4","1","","Wöhlert, Susanne; Jess, Inke; Englert, Ulli; Näther, Christian","Synthesis and crystal structures of Zn(ii) and Co(ii) coordination compounds with ortho substituted pyridine ligands: two structure types and polymorphism in the region of their coexistence","CrystEngComm","2013","15","26","5326","","10.1039/c3ce40208h","","","0.71073","MoKα","","0.0519","0.0353","","","0.0798","0.0875","","","","","","1.048","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209883","8.7299","0.0005","12.9","0.0006","14.6546","0.0006","90","","90","","90","","1650.34","0.14","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 N4 S2 Zn -","- C14 H14 N4 S2 Zn -","- C56 H56 N16 S8 Zn4 -","4","1","","Wöhlert, Susanne; Jess, Inke; Englert, Ulli; Näther, Christian","Synthesis and crystal structures of Zn(ii) and Co(ii) coordination compounds with ortho substituted pyridine ligands: two structure types and polymorphism in the region of their coexistence","CrystEngComm","2013","15","26","5326","","10.1039/c3ce40208h","","","0.71073","MoKα","","0.0602","0.0418","","","0.079","0.0847","","","","","","1.069","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209884","11.3517","0.0007","9.6554","0.0005","15.5866","0.0008","90","","90","","90","","1708.37","0.16","200","2","200","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C12 H8 Br2 Co N4 S2 -","- C12 H8 Br2 Co N4 S2 -","- C48 H32 Br8 Co4 N16 S8 -","4","0.5","","Wöhlert, Susanne; Jess, Inke; Englert, Ulli; Näther, Christian","Synthesis and crystal structures of Zn(ii) and Co(ii) coordination compounds with ortho substituted pyridine ligands: two structure types and polymorphism in the region of their coexistence","CrystEngComm","2013","15","26","5326","","10.1039/c3ce40208h","","","0.71073","MoKα","","0.065","0.0515","","","0.1182","0.1265","","","","","","1.054","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209885","11.3675","0.0003","9.7875","0.0003","15.6246","0.0007","90","","90","","90","","1738.38","0.1","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C12 H8 Br2 N4 S2 Zn -","- C12 H8 Br2 N4 S2 Zn -","- C48 H32 Br8 N16 S8 Zn4 -","4","0.5","","Wöhlert, Susanne; Jess, Inke; Englert, Ulli; Näther, Christian","Synthesis and crystal structures of Zn(ii) and Co(ii) coordination compounds with ortho substituted pyridine ligands: two structure types and polymorphism in the region of their coexistence","CrystEngComm","2013","15","26","5326","","10.1039/c3ce40208h","","","0.71073","MoKα","","0.0584","0.0499","","","0.0887","0.0917","","","","","","1.327","","","","has coordinates,has disorder","180429","2020-10-21","18:00:00",""
"7209886","8.6064","0.0002","12.7726","0.0003","14.6199","0.0004","90","","90","","90","","1607.11","0.07","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H8 Cl2 Co N4 S2 -","- C12 H8 Cl2 Co N4 S2 -","- C48 H32 Cl8 Co4 N16 S8 -","4","1","","Wöhlert, Susanne; Jess, Inke; Englert, Ulli; Näther, Christian","Synthesis and crystal structures of Zn(ii) and Co(ii) coordination compounds with ortho substituted pyridine ligands: two structure types and polymorphism in the region of their coexistence","CrystEngComm","2013","15","26","5326","","10.1039/c3ce40208h","","","0.71073","MoKα","","0.0322","0.0291","","","0.0629","0.064","","","","","","1.111","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209887","11.2928","0.0007","9.7123","0.0005","15.1913","0.0008","90","","90","","90","","1666.17","0.16","200","2","200","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C12 H8 Cl2 Co N4 S2 -","- C12 H8 Cl2 Co N4 S2 -","- C48 H32 Cl8 Co4 N16 S8 -","4","0.5","","Wöhlert, Susanne; Jess, Inke; Englert, Ulli; Näther, Christian","Synthesis and crystal structures of Zn(ii) and Co(ii) coordination compounds with ortho substituted pyridine ligands: two structure types and polymorphism in the region of their coexistence","CrystEngComm","2013","15","26","5326","","10.1039/c3ce40208h","","","0.71073","MoKα","","0.0398","0.0312","","","0.0754","0.0799","","","","","","1.036","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209888","8.6264","0.0004","12.7738","0.0004","14.6614","0.0004","90","","90","","90","","1615.57","0.1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H8 Cl2 N4 S2 Zn -","- C12 H8 Cl2 N4 S2 Zn -","- C48 H32 Cl8 N16 S8 Zn4 -","4","1","","Wöhlert, Susanne; Jess, Inke; Englert, Ulli; Näther, Christian","Synthesis and crystal structures of Zn(ii) and Co(ii) coordination compounds with ortho substituted pyridine ligands: two structure types and polymorphism in the region of their coexistence","CrystEngComm","2013","15","26","5326","","10.1039/c3ce40208h","","","0.71073","MoKα","","0.033","0.0283","","","0.0618","0.0637","","","","","","1.037","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209889","11.3237","0.0004","9.7997","0.0003","15.2661","0.0006","90","","90","","90","","1694.06","0.1","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C12 H8 Cl2 N4 S2 Zn -","- C12 H8 Cl2 N4 S2 Zn -","- C48 H32 Cl8 N16 S8 Zn4 -","4","0.5","","Wöhlert, Susanne; Jess, Inke; Englert, Ulli; Näther, Christian","Synthesis and crystal structures of Zn(ii) and Co(ii) coordination compounds with ortho substituted pyridine ligands: two structure types and polymorphism in the region of their coexistence","CrystEngComm","2013","15","26","5326","","10.1039/c3ce40208h","","","0.71073","MoKα","","0.0424","0.0376","","","0.0867","0.0891","","","","","","1.166","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209890","11.357","0.0008","9.7125","0.0005","15.391","0.0012","90","","90","","90","","1697.7","0.2","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C12 H8 Cl2 Co N4 S2 -","- C12 H8 Cl2 Co N4 S2 -","- C48 H32 Cl8 Co4 N16 S8 -","4","0.5","","Wöhlert, Susanne; Jess, Inke; Englert, Ulli; Näther, Christian","Synthesis and crystal structures of Zn(ii) and Co(ii) coordination compounds with ortho substituted pyridine ligands: two structure types and polymorphism in the region of their coexistence","CrystEngComm","2013","15","26","5326","","10.1039/c3ce40208h","","","0.71073","MoKα","","0.0685","0.0507","","","0.0921","0.0986","","","","","","1.186","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209891","11.138","0.006","11.333","0.006","15.819","0.008","102.563","0.002","109.028","0.005","99.004","0.005","1785.6","1.6","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C26 H36 N Ni O7 S10 -","- C26 H36 N Ni O7 S10 -","- C52 H72 N2 Ni2 O14 S20 -","2","2","","Ye, Qiong; Shi, Ping-Ping; Fu, Xue-Qun; Akutagawa, Tomoyuki; Nakamura, Takayoshi","Dielectric and structural phase transition of [Ni(dmit)2]− salt with (4-ethoxyanilinium)([18]crown-6) supramolecular cation","CrystEngComm","2013","15","26","5307","","10.1039/c3ce40220g","","","0.71073","MoKα","","0.0519","0.0411","","","0.1155","0.1343","","","","","","0.869","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209892","8.752","0.004","10.936","0.007","11.13","0.007","84.99","0.03","67.779","0.018","70.16","0.02","926.6","0.9","300","2","300","2","","","","","","","","6","P 1","P 1","1","","","","- C26 H36 N Ni O7 S10 -","- C26 H36 N Ni O7 S10 -","- C26 H36 N Ni O7 S10 -","1","1","","Ye, Qiong; Shi, Ping-Ping; Fu, Xue-Qun; Akutagawa, Tomoyuki; Nakamura, Takayoshi","Dielectric and structural phase transition of [Ni(dmit)2]− salt with (4-ethoxyanilinium)([18]crown-6) supramolecular cation","CrystEngComm","2013","15","26","5307","","10.1039/c3ce40220g","","","0.71073","MoKα","","0.0754","0.0419","","","0.0961","0.1318","","","","","","0.97","","","","has coordinates,has disorder","180429","2020-10-21","18:00:00",""
"7209893","10.0145","0.0004","8.8239","0.0003","13.7249","0.0008","90","","90","","90","","1212.83","0.1","295","2","295","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C11 H13 Cl2 N3 -","- C11 H13 Cl2 N3 -","- C44 H52 Cl8 N12 -","4","1","","Zhang, Zhu-Yan; Deng, Zhao-Peng; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Inorganic anion induced supramolecular architectures of flexible unsymmetrical bis(pyridyl) ionic salts mediated by various non-covalent interactions","CrystEngComm","2013","15","26","5261","","10.1039/c3ce40227d","","","0.71073","MoKα","","0.0471","0.0383","","","0.079","0.0837","","","","","","1.031","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209894","10.0153","0.0005","9.8465","0.0005","12.7219","0.0006","90","","100.535","0.005","90","","1233.43","0.11","275","2","275","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H13 Cl2 N3 -","- C11 H13 Cl2 N3 -","- C44 H52 Cl8 N12 -","4","1","","Zhang, Zhu-Yan; Deng, Zhao-Peng; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Inorganic anion induced supramolecular architectures of flexible unsymmetrical bis(pyridyl) ionic salts mediated by various non-covalent interactions","CrystEngComm","2013","15","26","5261","","10.1039/c3ce40227d","","","0.71073","MoKα","","0.0697","0.0446","","","0.0952","0.113","","","","","","1.046","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209895","8.9165","0.0005","13.8016","0.0008","10.3354","0.0004","90","","102.248","0.005","90","","1242.94","0.11","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H13 Cl2 N3 -","- C11 H13 Cl2 N3 -","- C44 H52 Cl8 N12 -","4","1","","Zhang, Zhu-Yan; Deng, Zhao-Peng; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Inorganic anion induced supramolecular architectures of flexible unsymmetrical bis(pyridyl) ionic salts mediated by various non-covalent interactions","CrystEngComm","2013","15","26","5261","","10.1039/c3ce40227d","","","0.71073","MoKα","","0.0832","0.0629","","","0.1032","0.1254","","","","","","1.024","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209896","9.4912","0.0006","14.474","0.0008","10.4976","0.001","90","","104.455","0.008","90","","1396.46","0.18","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H13 N5 O6 -","- C11 H13 N5 O6 -","- C44 H52 N20 O24 -","4","1","","Zhang, Zhu-Yan; Deng, Zhao-Peng; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Inorganic anion induced supramolecular architectures of flexible unsymmetrical bis(pyridyl) ionic salts mediated by various non-covalent interactions","CrystEngComm","2013","15","26","5261","","10.1039/c3ce40227d","","","0.71073","MoKα","","0.0743","0.0626","","","0.1168","0.139","","","","","","1.025","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209897","5.6882","0.0011","7.1254","0.001","18.859","0.003","93.019","0.012","93.569","0.014","112.646","0.015","701.6","0.2","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H13 N5 O6 -","- C11 H13 N5 O6 -","- C22 H26 N10 O12 -","2","1","","Zhang, Zhu-Yan; Deng, Zhao-Peng; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Inorganic anion induced supramolecular architectures of flexible unsymmetrical bis(pyridyl) ionic salts mediated by various non-covalent interactions","CrystEngComm","2013","15","26","5261","","10.1039/c3ce40227d","","","0.71073","MoKα","","0.0975","0.0614","","","0.1457","0.1663","","","","","","1.018","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209898","9.3186","0.0019","13.311","0.003","11.444","0.002","90","","95.92","0.03","90","","1411.9","0.5","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H13 N5 O6 -","- C11 H13 N5 O6 -","- C44 H52 N20 O24 -","4","1","","Zhang, Zhu-Yan; Deng, Zhao-Peng; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Inorganic anion induced supramolecular architectures of flexible unsymmetrical bis(pyridyl) ionic salts mediated by various non-covalent interactions","CrystEngComm","2013","15","26","5261","","10.1039/c3ce40227d","","","0.71073","MoKα","","0.092","0.0456","","","0.1178","0.1601","","","","","","1.088","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209899","6.2576","0.0013","14.176","0.003","9.4606","0.0019","90","","107.55","0.03","90","","800.2","0.3","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H13 Cl2 N3 O8 -","- C11 H13 Cl2 N3 O8 -","- C22 H26 Cl4 N6 O16 -","2","1","","Zhang, Zhu-Yan; Deng, Zhao-Peng; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Inorganic anion induced supramolecular architectures of flexible unsymmetrical bis(pyridyl) ionic salts mediated by various non-covalent interactions","CrystEngComm","2013","15","26","5261","","10.1039/c3ce40227d","","","0.71073","MoKα","","0.0952","0.0623","","","0.1382","0.1542","","","","","","1.034","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209900","14.059","0.003","5.0058","0.001","21.608","0.004","90","","95.23","0.03","90","","1514.4","0.5","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H13 Cl2 N3 O8 -","- C11 H13 Cl2 N3 O8 -","- C44 H52 Cl8 N12 O32 -","4","1","","Zhang, Zhu-Yan; Deng, Zhao-Peng; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Inorganic anion induced supramolecular architectures of flexible unsymmetrical bis(pyridyl) ionic salts mediated by various non-covalent interactions","CrystEngComm","2013","15","26","5261","","10.1039/c3ce40227d","","","0.71073","MoKα","","0.0874","0.065","","","0.1848","0.2053","","","","","","1.097","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209901","6.0703","0.0013","14.175","0.003","9.5289","0.0019","90","","105.04","0.03","90","","791.8","0.3","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H13 Cl2 N3 O8 -","- C11 H13 Cl2 N3 O8 -","- C22 H26 Cl4 N6 O16 -","2","1","","Zhang, Zhu-Yan; Deng, Zhao-Peng; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Inorganic anion induced supramolecular architectures of flexible unsymmetrical bis(pyridyl) ionic salts mediated by various non-covalent interactions","CrystEngComm","2013","15","26","5261","","10.1039/c3ce40227d","","","0.71073","MoKα","","0.0991","0.0638","","","0.1525","0.1774","","","","","","1.026","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209902","10.083","0.0004","13.1064","0.0005","23.2914","0.0013","90","","103.232","0.004","90","","2996.3","0.2","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H12 F6 N3 P -","- C11 H12 F6 N3 P -","- C88 H96 F48 N24 P8 -","8","1","","Zhang, Zhu-Yan; Deng, Zhao-Peng; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Inorganic anion induced supramolecular architectures of flexible unsymmetrical bis(pyridyl) ionic salts mediated by various non-covalent interactions","CrystEngComm","2013","15","26","5261","","10.1039/c3ce40227d","","","0.71073","MoKα","","0.0799","0.0539","","","0.1519","0.166","","","","","","1.053","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209903","7.3681","0.0015","12.231","0.002","15.253","0.003","90","","98.31","0.03","90","","1360.2","0.5","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 F6 N3 P -","- C11 H12 F6 N3 P -","- C44 H48 F24 N12 P4 -","4","1","","Zhang, Zhu-Yan; Deng, Zhao-Peng; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Inorganic anion induced supramolecular architectures of flexible unsymmetrical bis(pyridyl) ionic salts mediated by various non-covalent interactions","CrystEngComm","2013","15","26","5261","","10.1039/c3ce40227d","","","0.71073","MoKα","","0.0881","0.0681","","","0.2058","0.2261","","","","","","1.078","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209904","6.3859","0.0002","13.0144","0.0005","18.0253","0.0007","90","","98.581","0.004","90","","1481.29","0.09","295","2","295","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C22 H25 F18 N6 P3 -","- C22 H25 F18 N6 P3 -","- C44 H50 F36 N12 P6 -","2","1","","Zhang, Zhu-Yan; Deng, Zhao-Peng; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Inorganic anion induced supramolecular architectures of flexible unsymmetrical bis(pyridyl) ionic salts mediated by various non-covalent interactions","CrystEngComm","2013","15","26","5261","","10.1039/c3ce40227d","","","0.71073","MoKα","","0.074","0.0508","","","0.1329","0.1538","","","","","","1.006","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209905","8.16","0.003","22.912","0.008","10.715","0.004","90","","102.583","0.005","90","","1955.2","1.2","296","2","296","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C5 H40 Mo6 N Na2 O42 P3 -","- C5 H8 Mo6 N Na2 O42 P3 -","- C10 H16 Mo12 N2 Na4 O84 P6 -","2","0.5","","Yang, Lu; Zhou, Zhen; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Self-assembly of two ring-shaped hexanuclear Mo(vi) clusters","CrystEngComm","2013","15","27","5452","","10.1039/c3ce40228b","","","0.71073","MoKα","","0.0689","0.0552","","","0.1485","0.1565","","","","","","1.006","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209906","13.636","0.005","17.391","0.006","20.271","0.008","74.282","0.007","81.167","0.007","78.259","0.007","4506","3","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C8 H68 Mn2 Mo12 N6 Na4 O78 P6 -","- C8 H16 Mn2 Mo12 N6 Na4 O78 P6 -","- C16 H32 Mn4 Mo24 N12 Na8 O156 P12 -","2","1","","Yang, Lu; Zhou, Zhen; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Self-assembly of two ring-shaped hexanuclear Mo(vi) clusters","CrystEngComm","2013","15","27","5452","","10.1039/c3ce40228b","","","0.71073","MoKα","","0.1479","0.07","","","0.1616","0.1841","","","","","","1.037","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209907","7.7424","0.0003","10.6628","0.0006","12.8135","0.0004","112.188","0.004","93.106","0.003","104.943","0.004","932.69","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H17 La N O12 -","- C14 H17 La N O12 -","- C28 H34 La2 N2 O24 -","2","1","","Sun, Xiao-Li; Shen, Bing-Xue; Zang, Shuang-Quan; Du, Chen-Xia","Effect of lanthanide contraction on crystal structures of Ln(iii) coordination polymers with dinuclear SBUs based on 3-(4-hydroxypyridinium-1-yl) phthalic acid and oxalic acid","CrystEngComm","2013","15","29","5910","","10.1039/c3ce40236c","","","0.71073","MoKα","","0.0339","0.0299","","","0.0624","0.0646","","","","","","1.039","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209908","10.2113","0.0005","12.0766","0.0007","12.9701","0.0007","74.784","0.005","76.254","0.005","71.416","0.005","1442.02","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 Er2 N2 O17 -","- C28 H20 Er2 N2 O17 -","- C56 H40 Er4 N4 O34 -","2","1","","Sun, Xiao-Li; Shen, Bing-Xue; Zang, Shuang-Quan; Du, Chen-Xia","Effect of lanthanide contraction on crystal structures of Ln(iii) coordination polymers with dinuclear SBUs based on 3-(4-hydroxypyridinium-1-yl) phthalic acid and oxalic acid","CrystEngComm","2013","15","29","5910","","10.1039/c3ce40236c","","","0.71073","MoKα","","0.0618","0.0448","","","0.0887","0.097","","","","","","0.999","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209909","10.1999","0.001","12.0085","0.0012","12.9253","0.001","74.968","0.008","76.328","0.008","71.456","0.009","1429","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 N2 O17 Yb2 -","- C28 H20 N2 O17 Yb2 -","- C56 H40 N4 O34 Yb4 -","2","1","","Sun, Xiao-Li; Shen, Bing-Xue; Zang, Shuang-Quan; Du, Chen-Xia","Effect of lanthanide contraction on crystal structures of Ln(iii) coordination polymers with dinuclear SBUs based on 3-(4-hydroxypyridinium-1-yl) phthalic acid and oxalic acid","CrystEngComm","2013","15","29","5910","","10.1039/c3ce40236c","","","0.71073","MoKα","","0.0339","0.0256","","","0.0541","0.0568","","","","","","1.002","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209910","7.7062","0.0006","10.6544","0.0006","12.7524","0.0012","112.492","0.007","93.296","0.007","104.776","0.006","921.2","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H17 Ce N O12 -","- C14 H17 Ce N O12 -","- C28 H34 Ce2 N2 O24 -","2","1","","Sun, Xiao-Li; Shen, Bing-Xue; Zang, Shuang-Quan; Du, Chen-Xia","Effect of lanthanide contraction on crystal structures of Ln(iii) coordination polymers with dinuclear SBUs based on 3-(4-hydroxypyridinium-1-yl) phthalic acid and oxalic acid","CrystEngComm","2013","15","29","5910","","10.1039/c3ce40236c","","","0.71073","MoKα","","0.029","0.0265","","","0.0632","0.0645","","","","","","1.059","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209911","10.1992","0.0006","12.4966","0.0005","13.2905","0.0007","72.375","0.004","73.51","0.005","69.764","0.005","1484.08","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 N2 O17 Pr2 -","- C28 H20 N2 O17 Pr2 -","- C56 H40 N4 O34 Pr4 -","2","1","","Sun, Xiao-Li; Shen, Bing-Xue; Zang, Shuang-Quan; Du, Chen-Xia","Effect of lanthanide contraction on crystal structures of Ln(iii) coordination polymers with dinuclear SBUs based on 3-(4-hydroxypyridinium-1-yl) phthalic acid and oxalic acid","CrystEngComm","2013","15","29","5910","","10.1039/c3ce40236c","","","0.71073","MoKα","","0.0378","0.0317","","","0.0719","0.0758","","","","","","1.041","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209912","10.1782","0.001","12.457","0.0012","13.2659","0.0013","72.476","0.009","73.363","0.009","69.928","0.009","1474.7","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 N2 Nd2 O17 -","- C28 H20 N2 Nd2 O17 -","- C56 H40 N4 Nd4 O34 -","2","1","","Sun, Xiao-Li; Shen, Bing-Xue; Zang, Shuang-Quan; Du, Chen-Xia","Effect of lanthanide contraction on crystal structures of Ln(iii) coordination polymers with dinuclear SBUs based on 3-(4-hydroxypyridinium-1-yl) phthalic acid and oxalic acid","CrystEngComm","2013","15","29","5910","","10.1039/c3ce40236c","","","0.71073","MoKα","","0.0353","0.0286","","","0.0643","0.0672","","","","","","1.023","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209913","10.1638","0.0004","12.3381","0.0005","13.1801","0.0007","73.301","0.004","74.382","0.004","70.393","0.004","1463.71","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 N2 O17 Sm2 -","- C28 H20 N2 O17 Sm2 -","- C56 H40 N4 O34 Sm4 -","2","1","","Sun, Xiao-Li; Shen, Bing-Xue; Zang, Shuang-Quan; Du, Chen-Xia","Effect of lanthanide contraction on crystal structures of Ln(iii) coordination polymers with dinuclear SBUs based on 3-(4-hydroxypyridinium-1-yl) phthalic acid and oxalic acid","CrystEngComm","2013","15","29","5910","","10.1039/c3ce40236c","","","0.71073","MoKα","","0.0489","0.0375","","","0.0726","0.077","","","","","","1.038","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209914","10.1851","0.0009","12.2709","0.0012","13.1055","0.0017","73.633","0.01","75.226","0.009","70.826","0.008","1460.3","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 Eu2 N2 O17 -","- C28 H20 Eu2 N2 O17 -","- C56 H40 Eu4 N4 O34 -","2","1","","Sun, Xiao-Li; Shen, Bing-Xue; Zang, Shuang-Quan; Du, Chen-Xia","Effect of lanthanide contraction on crystal structures of Ln(iii) coordination polymers with dinuclear SBUs based on 3-(4-hydroxypyridinium-1-yl) phthalic acid and oxalic acid","CrystEngComm","2013","15","29","5910","","10.1039/c3ce40236c","","","0.71073","MoKα","","0.0387","0.0286","","","0.0614","0.0646","","","","","","1.036","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209915","10.2255","0.0007","12.2071","0.0007","13.0585","0.001","74.105","0.006","75.466","0.006","71.01","0.006","1458.71","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 Gd2 N2 O17 -","- C28 H20 Gd2 N2 O17 -","- C56 H40 Gd4 N4 O34 -","2","1","","Sun, Xiao-Li; Shen, Bing-Xue; Zang, Shuang-Quan; Du, Chen-Xia","Effect of lanthanide contraction on crystal structures of Ln(iii) coordination polymers with dinuclear SBUs based on 3-(4-hydroxypyridinium-1-yl) phthalic acid and oxalic acid","CrystEngComm","2013","15","29","5910","","10.1039/c3ce40236c","","","0.71073","MoKα","","0.0493","0.035","","","0.0615","0.0658","","","","","","1.014","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209916","10.2253","0.0005","12.1473","0.0006","13.0025","0.0006","74.69","0.004","75.995","0.004","71.226","0.004","1452.88","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 N2 O17 Tb2 -","- C28 H20 N2 O17 Tb2 -","- C56 H40 N4 O34 Tb4 -","2","1","","Sun, Xiao-Li; Shen, Bing-Xue; Zang, Shuang-Quan; Du, Chen-Xia","Effect of lanthanide contraction on crystal structures of Ln(iii) coordination polymers with dinuclear SBUs based on 3-(4-hydroxypyridinium-1-yl) phthalic acid and oxalic acid","CrystEngComm","2013","15","29","5910","","10.1039/c3ce40236c","","","0.71073","MoKα","","0.0387","0.0317","","","0.0733","0.0764","","","","","","1.092","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209917","10.223","0.0004","12.1165","0.0005","12.9755","0.0005","74.697","0.003","76.106","0.003","71.311","0.004","1447.07","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 Dy2 N2 O17 -","- C28 H20 Dy2 N2 O17 -","- C56 H40 Dy4 N4 O34 -","2","1","","Sun, Xiao-Li; Shen, Bing-Xue; Zang, Shuang-Quan; Du, Chen-Xia","Effect of lanthanide contraction on crystal structures of Ln(iii) coordination polymers with dinuclear SBUs based on 3-(4-hydroxypyridinium-1-yl) phthalic acid and oxalic acid","CrystEngComm","2013","15","29","5910","","10.1039/c3ce40236c","","","0.71073","MoKα","","0.0447","0.0325","","","0.0603","0.0642","","","","","","1.023","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209918","10.2863","0.0003","4.1579","0.0001","16.339","0.0005","90","","98.83","0.003","90","","690.53","0.03","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- B La Mo O6 -","- B La Mo O6 -","- B6 La6 Mo6 O36 -","6","3","","Yu, Yan; Li, Lingyun; Lin, Zhoubin; Wang, Guofu","Growth, structure and optical properties of a nonlinear optical crystal α-LaBMoO6","CrystEngComm","2013","15","26","5245","","10.1039/c3ce40364e","","","0.71073","MoKα","","0.0382","0.03","","","0.0707","0.079","","","","","","0.999","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209919","8.1571","0.001","14.7919","0.0018","20.877","0.003","108.625","0.002","95.964","0.002","98.671","0.002","2328.5","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H36 Co4 N4 O14 -","- C54 H34 Co4 N4 O14 -","- C108 H68 Co8 N8 O28 -","2","1","","Liu, Bo; Liu, Bin; Pang, Lingyan; Yang, Guoping; Cui, Lin; Wang, Yao-Yu; Shi, Qizhen","Unprecedented 1D alternate Co5 chain and discrete Co3 unit embedded in a 3D framework exhibiting slow magnetic relaxation behaviour","CrystEngComm","2013","15","26","5205","","10.1039/c3ce40373d","","","0.71073","MoKα","","0.0902","0.0537","","","0.1325","0.1612","","","","","","0.99","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209920","20.5909","0.0004","20.5909","0.0004","28.3082","0.0009","90","","90","","120","","10394.3","0.4","293","2","293","2","","","","","","","","6","P 65","P 65","170","","","","- C63 H72 Cd3 K3 N3 O30 -","- C63 H72 Cd3 K3 N3 O30 -","- C378 H432 Cd18 K18 N18 O180 -","6","1","","Liu, Yuecheng; Zhang, Huabin; Tian, Chongbin; Lin, Ping; Du, Shaowu","Interweaving of two enantiomorphic 3D Cd(ii)/K(i) coordination polymers with homochiral unequal triple concentric helical chains","CrystEngComm","2013","15","26","5201","","10.1039/c3ce40397a","","","0.71073","MoKα","","","0.0308","","","0.0734","0.0746","","","","","","1.072","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209921","20.609","0.003","20.609","0.003","28.314","0.004","90","","90","","120","","10415","3","293","2","293","2","","","","","","","","6","P 61","P 61","169","","","","- C63 H72 Cd3 K3 N3 O30 -","- C63 H72 Cd3 K3 N3 O30 -","- C378 H432 Cd18 K18 N18 O180 -","6","1","","Liu, Yuecheng; Zhang, Huabin; Tian, Chongbin; Lin, Ping; Du, Shaowu","Interweaving of two enantiomorphic 3D Cd(ii)/K(i) coordination polymers with homochiral unequal triple concentric helical chains","CrystEngComm","2013","15","26","5201","","10.1039/c3ce40397a","","","0.71073","MoKα","","","0.0704","","","0.1639","0.1652","","","","","","1.106","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209922","10.5251","0.0007","11.6823","0.0007","15.5758","0.0008","110.077","0.003","92.702","0.004","109.083","0.004","1672.3","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H25 Cd2 N8 O6 -","- C37 H25 Cd2 N8 O6 -","- C74 H50 Cd4 N16 O12 -","2","1","","Jin, Juan; Bai, Fu-Quan; Jia, Ming-Jun; Yu, Jie-Hui; Xu, Ji-Qing","Oxalate-extended Cd2±-acylhydrazidate coordination polymers: synthesis, structure and fluorescence property","CrystEngComm","2013","15","29","5919","","10.1039/c3ce40416a","","","0.71073","MoKα","","0.033","0.0259","","","0.0667","0.0723","","","","","","1.034","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209923","14.326","0.003","17.238","0.003","7.4095","0.0015","90","","97.4","0.03","90","","1814.5","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 Cd2 N6 O8 -","- C16 H8 Cd2 N6 O9 -","- C64 H32 Cd8 N24 O36 -","4","1","","Jin, Juan; Bai, Fu-Quan; Jia, Ming-Jun; Yu, Jie-Hui; Xu, Ji-Qing","Oxalate-extended Cd2±-acylhydrazidate coordination polymers: synthesis, structure and fluorescence property","CrystEngComm","2013","15","29","5919","","10.1039/c3ce40416a","","","0.71073","MoKα","","0.0431","0.0361","","","0.0866","0.093","","","","","","1.004","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209924","13.9731","0.0004","26.4604","0.0007","19.5809","0.0006","90","","90","","90","","7239.7","0.4","100.1","","100.1","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C36 H18 La2 O51 S12 -","- C36 H18 La2 O51 S12 -","- C144 H72 La8 O204 S48 -","4","0.5","","Yamada, Manabu; Hamada, Fumio","Supramolecular assemblies with water-soluble p-sulfonatothiacalix[6]arene lanthanide complexes: one-dimensional ‘ladder-type’ coordination polymers and one-dimensional hydrogen-bonded polymers","CrystEngComm","2013","15","28","5703","","10.1039/c3ce40431e","","","0.71075","MoKα","","","0.0455","","","","0.1257","","","","","","1.04","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209925","13.916","0.0008","26.5308","0.0013","19.3049","0.0011","90","","90","","90","","7127.4","0.7","110.1","","110.1","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C36 H18 Ce2 O47 S12 -","- C36 H18 Ce2 O47 S12 -","- C144 H72 Ce8 O188 S48 -","4","0.5","","Yamada, Manabu; Hamada, Fumio","Supramolecular assemblies with water-soluble p-sulfonatothiacalix[6]arene lanthanide complexes: one-dimensional ‘ladder-type’ coordination polymers and one-dimensional hydrogen-bonded polymers","CrystEngComm","2013","15","28","5703","","10.1039/c3ce40431e","","","0.71075","MoKα","","","0.0722","","","","0.2427","","","","","","1.126","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209926","15.5737","0.0006","12.2953","0.0005","20.6509","0.0008","90","","110.621","0.0011","90","","3701","0.3","100.1","","100.1","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H74 Eu2 O56 S12 -","- C36 H74 Eu2 O56 S12 -","- C72 H148 Eu4 O112 S24 -","2","0.5","","Yamada, Manabu; Hamada, Fumio","Supramolecular assemblies with water-soluble p-sulfonatothiacalix[6]arene lanthanide complexes: one-dimensional ‘ladder-type’ coordination polymers and one-dimensional hydrogen-bonded polymers","CrystEngComm","2013","15","28","5703","","10.1039/c3ce40431e","","","0.71075","MoKα","","","0.027","","","","0.068","","","","","","1.021","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209927","14.9888","0.0007","12.4793","0.0006","20.4181","0.001","90","","109.189","0.0015","90","","3607","0.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H18 Lu2 O56 S12 -","- C36 H18 Lu2 O56 S12 -","- C72 H36 Lu4 O112 S24 -","2","0.5","","Yamada, Manabu; Hamada, Fumio","Supramolecular assemblies with water-soluble p-sulfonatothiacalix[6]arene lanthanide complexes: one-dimensional ‘ladder-type’ coordination polymers and one-dimensional hydrogen-bonded polymers","CrystEngComm","2013","15","28","5703","","10.1039/c3ce40431e","","","0.71075","MoKα","","","0.0537","","","","0.1256","","","","","","1.158","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209928","15.5538","0.0004","12.2885","0.0004","20.6249","0.0006","90","","110.567","0.0009","90","","3690.84","0.19","100.1","","100.1","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H78 O56 S12 Tb2 -","- C36 H78 O56 S12 Tb2 -","- C72 H156 O112 S24 Tb4 -","2","0.5","","Yamada, Manabu; Hamada, Fumio","Supramolecular assemblies with water-soluble p-sulfonatothiacalix[6]arene lanthanide complexes: one-dimensional ‘ladder-type’ coordination polymers and one-dimensional hydrogen-bonded polymers","CrystEngComm","2013","15","28","5703","","10.1039/c3ce40431e","","","0.71075","MoKα","","","0.0207","","","","0.0543","","","","","","1.109","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209929","15.4846","0.0007","12.3023","0.0005","20.5851","0.0008","90","","110.451","0.0012","90","","3674.2","0.3","100.1","","100.1","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H78 O56 S12 Tm2 -","- C36 H78 O56 S12 Tm2 -","- C72 H156 O112 S24 Tm4 -","2","0.5","","Yamada, Manabu; Hamada, Fumio","Supramolecular assemblies with water-soluble p-sulfonatothiacalix[6]arene lanthanide complexes: one-dimensional ‘ladder-type’ coordination polymers and one-dimensional hydrogen-bonded polymers","CrystEngComm","2013","15","28","5703","","10.1039/c3ce40431e","","","0.71075","MoKα","","","0.0263","","","","0.0619","","","","","","1.081","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209930","15.4625","0.0005","12.2942","0.0004","20.5701","0.0006","90","","110.442","0.0008","90","","3664.1","0.2","100.1","","100.1","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H18 O56 S12 Yb2 -","- C36 H18 O56 S12 Yb2 -","- C72 H36 O112 S24 Yb4 -","2","0.5","","Yamada, Manabu; Hamada, Fumio","Supramolecular assemblies with water-soluble p-sulfonatothiacalix[6]arene lanthanide complexes: one-dimensional ‘ladder-type’ coordination polymers and one-dimensional hydrogen-bonded polymers","CrystEngComm","2013","15","28","5703","","10.1039/c3ce40431e","","","0.71075","MoKα","","","0.0471","","","","0.115","","","","","","1.083","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209931","7.9992","0.0006","9.3303","0.0005","9.5016","0.0004","95.094","0.004","97.795","0.005","108.464","0.006","659.85","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H10 Mn N2 O6 P -","- C11 H10 Mn N2 O6 P -","- C22 H20 Mn2 N4 O12 P2 -","2","1","","Duan, Chunmei; Luo, Daibing; Shang, Rui; Lin, Zhien","Solvent-free synthesis of new manganese phosphate‒oxalate hybrid solids","CrystEngComm","2013","15","28","5602","","10.1039/c3ce40457a","","","0.71073","MoKα","","0.0394","0.0314","","","0.0692","0.072","","","","","","1.04","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209932","6.1008","0.0008","6.7115","0.0007","12.9864","0.0008","92.04","0.007","95.79","0.008","107.914","0.008","502.13","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C7 H7 Mn N O8 P -","- C7 H7 Mn N O8 P -","- C14 H14 Mn2 N2 O16 P2 -","2","1","","Duan, Chunmei; Luo, Daibing; Shang, Rui; Lin, Zhien","Solvent-free synthesis of new manganese phosphate‒oxalate hybrid solids","CrystEngComm","2013","15","28","5602","","10.1039/c3ce40457a","","","0.71073","MoKα","","0.0397","0.0306","","","0.0676","0.0718","","","","","","1.057","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209933","7.7715","0.0009","9.4619","0.0008","10.7591","0.0008","114.628","0.007","90.843","0.006","102.125","0.008","698.47","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H10 Mn N2 O6 P -","- C13 H10 Mn N2 O6 P -","- C26 H20 Mn2 N4 O12 P2 -","2","1","","Duan, Chunmei; Luo, Daibing; Shang, Rui; Lin, Zhien","Solvent-free synthesis of new manganese phosphate‒oxalate hybrid solids","CrystEngComm","2013","15","28","5602","","10.1039/c3ce40457a","","","0.71073","MoKα","","0.0423","0.0321","","","0.0724","0.077","","","","","","1.068","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209934","17.7951","0.0006","6.9089","0.0003","13.0784","0.0005","90","","109.667","0.002","90","","1514.12","0.1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-nitrobenzoic acid 4-phenylpyridine","3-nitrobenzoic acid 4-phenylpyridine","","- C18 H14 N2 O4 -","- C18 H14 N2 O4 -","- C72 H56 N8 O16 -","4","1","","Seaton, Colin C.; Munshi, Tasnim; Williams, Sara E.; Scowen, Ian J.","Multi-component crystals of 4-phenylpyridine: challenging the boundaries between co-crystal and organic salt formation with insight into solid-state proton transfer","CrystEngComm","2013","15","26","5250","","10.1039/c3ce40499d","","","0.71073","MoKα","","0.0512","0.0424","","","0.117","0.1255","","","","","","1.052","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209935","8.1839","0.0002","10.88","0.0003","19.2168","0.0005","73.589","0.001","83.558","0.001","68.897","0.001","1531.19","0.07","173","2","173","2","","","","","","","","4","P -1","-P 1","2","4-aminobenzoic acid 4-phenylpyridine","4-aminobenzoic acid 4-phenylpyridine","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C72 H64 N8 O8 -","4","2","","Seaton, Colin C.; Munshi, Tasnim; Williams, Sara E.; Scowen, Ian J.","Multi-component crystals of 4-phenylpyridine: challenging the boundaries between co-crystal and organic salt formation with insight into solid-state proton transfer","CrystEngComm","2013","15","26","5250","","10.1039/c3ce40499d","","","0.71073","MoKα","","0.0779","0.0445","","","0.0966","0.1143","","","","","","1.02","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209936","9.5861","0.0009","10.1179","0.0009","14.4262","0.0011","88.676","0.007","76.576","0.007","64.447","0.009","1223.1","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","4-phenylpyridinium 3,5-dinitrobenzoate 3,5-dinitrobenzoic acid","4-phenylpyridinium 3,5-dinitrobenzoate 3,5-dinitrobenzoic acid","","- C25 H17 N5 O12 -","- C25 H17 N5 O12 -","- C50 H34 N10 O24 -","2","1","","Seaton, Colin C.; Munshi, Tasnim; Williams, Sara E.; Scowen, Ian J.","Multi-component crystals of 4-phenylpyridine: challenging the boundaries between co-crystal and organic salt formation with insight into solid-state proton transfer","CrystEngComm","2013","15","26","5250","","10.1039/c3ce40499d","","","0.71073","MoKα","","0.0721","0.0374","","","0.0701","0.0757","","","","","","0.838","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209937","7.0267","0.0005","19.4733","0.0015","10.9698","0.0008","90","","102.362","0.003","90","","1466.23","0.19","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","4-phenylpyridinium gallate","4-phenylpyridinium gallate","","- C18 H15 N O5 -","- C18 H15 N O5 -","- C72 H60 N4 O20 -","4","2","","Seaton, Colin C.; Munshi, Tasnim; Williams, Sara E.; Scowen, Ian J.","Multi-component crystals of 4-phenylpyridine: challenging the boundaries between co-crystal and organic salt formation with insight into solid-state proton transfer","CrystEngComm","2013","15","26","5250","","10.1039/c3ce40499d","","","0.71073","MoKα","","0.0378","0.036","","","0.0993","0.101","","","","","","1.05","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209938","22.4605","0.0005","7.1673","0.0002","20.0652","0.0005","90","","116.438","0.001","90","","2892.3","0.13","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-phenylpyridinium saliyclate","4-phenylpyridinium saliyclate","","- C18 H15 N O3 -","- C18 H15 N O3 -","- C144 H120 N8 O24 -","8","2","","Seaton, Colin C.; Munshi, Tasnim; Williams, Sara E.; Scowen, Ian J.","Multi-component crystals of 4-phenylpyridine: challenging the boundaries between co-crystal and organic salt formation with insight into solid-state proton transfer","CrystEngComm","2013","15","26","5250","","10.1039/c3ce40499d","","","0.71073","MoKα","","0.0756","0.0565","","","0.1565","0.1654","","","","","","1.167","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209939","7.5367","0.0013","10.0173","0.0018","19.429","0.004","90","","92.881","0.008","90","","1465","0.5","80","2","80","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-aminobenzoic acid 4-phenylpyridine","2-aminobenzoic acid 4-phenylpyridine","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C72 H64 N8 O8 -","4","1","","Seaton, Colin C.; Munshi, Tasnim; Williams, Sara E.; Scowen, Ian J.","Multi-component crystals of 4-phenylpyridine: challenging the boundaries between co-crystal and organic salt formation with insight into solid-state proton transfer","CrystEngComm","2013","15","26","5250","","10.1039/c3ce40499d","","","0.71073","MoKα","","0.0542","0.0414","","","0.1051","0.1154","","","","","","1.025","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209940","7.5472","0.0009","10.0169","0.0012","19.516","0.003","90","","92.845","0.006","90","","1473.6","0.3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-aminobenzoic acid 4-phenylpyridine","2-aminobenzoic acid 4-phenylpyridine","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C72 H64 N8 O8 -","4","1","","Seaton, Colin C.; Munshi, Tasnim; Williams, Sara E.; Scowen, Ian J.","Multi-component crystals of 4-phenylpyridine: challenging the boundaries between co-crystal and organic salt formation with insight into solid-state proton transfer","CrystEngComm","2013","15","26","5250","","10.1039/c3ce40499d","","","0.71073","MoKα","","0.0564","0.0421","","","0.1116","0.1192","","","","","","1.053","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209941","7.557","0.0007","10.0088","0.001","19.597","0.002","90","","92.793","0.005","90","","1480.5","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-aminobenzoic acid 4-phenylpyridine","2-aminobenzoic acid 4-phenylpyridine","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C72 H64 N8 O8 -","4","1","","Seaton, Colin C.; Munshi, Tasnim; Williams, Sara E.; Scowen, Ian J.","Multi-component crystals of 4-phenylpyridine: challenging the boundaries between co-crystal and organic salt formation with insight into solid-state proton transfer","CrystEngComm","2013","15","26","5250","","10.1039/c3ce40499d","","","0.71073","MoKα","","0.0621","0.0432","","","0.1133","0.1232","","","","","","1.044","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209942","7.5656","0.0006","10.0044","0.0009","19.6836","0.0018","90","","92.755","0.004","90","","1488.1","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-aminobenzoic acid 4-phenylpyridine","2-aminobenzoic acid 4-phenylpyridine","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C72 H64 N8 O8 -","4","1","","Seaton, Colin C.; Munshi, Tasnim; Williams, Sara E.; Scowen, Ian J.","Multi-component crystals of 4-phenylpyridine: challenging the boundaries between co-crystal and organic salt formation with insight into solid-state proton transfer","CrystEngComm","2013","15","26","5250","","10.1039/c3ce40499d","","","0.71073","MoKα","","0.0587","0.0474","","","0.1262","0.138","","","","","","1.031","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209943","43.423","0.005","10.002","0.001","16.577","0.0018","90","","97.896","0.01","90","","7131.4","1.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H90 Cu2 N8 O15 Si6 -","- C48 H90 Cu2 N8 O15 Si6 -","- C192 H360 Cu8 N32 O60 Si24 -","4","0.5","","Vlad, Angelica; Zaltariov, Mirela-Fernanda; Shova, Sergiu; Novitchi, Ghenadie; Varganici, Cristian-Dragos; Train, Cyrille; Cazacu, Maria","Flexible linkers and dinuclear metallic nodes build up an original metal‒organic framework","CrystEngComm","2013","15","26","5368","","10.1039/c3ce40506k","","","0.7107","MoKα","","0.1679","0.0951","","","0.2342","0.2736","","","","","","1.018","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209944","7.936","0.002","12.2","0.003","34.428","0.007","90","","90","","90","","3333.3","1.4","80","2","80","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-(3-nitrobenzoyl)-(D~0.54~L~0.46~)-alaninate methanol disolvate","","- C35 H44 N4 O11 -","- C35 H44 N4 O11 -","- C140 H176 N16 O44 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Solid solutions of quasi-isomorphous diastereomeric salts ‒ kinetics versus thermodynamics","CrystEngComm","2013","15","28","5681","","10.1039/c3ce40512e","","","0.71073","MoKα","","0.1684","0.0993","","","0.181","0.2168","","","","","","1.06","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209945","7.89","0.002","12.081","0.003","34.782","0.005","90","","90","","90","","3315.4","1.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-(3-nitrobenzoyl)-(D~0.54~L~0.46~)-serinate methanol 1.57-solvate","","- C34.57 H42.28 N4 O11.57 -","- C34.57 H42.28 N4 O11.57 -","- C138.28 H169.12 N16 O46.28 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Solid solutions of quasi-isomorphous diastereomeric salts ‒ kinetics versus thermodynamics","CrystEngComm","2013","15","28","5681","","10.1039/c3ce40512e","","","0.71073","MoKα","","0.1454","0.0565","","","0.115","0.1388","","","","","","0.934","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209946","7.938","0.002","12.33","0.003","35.775","0.005","90","","90","","90","","3501.5","1.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-(3-nitrobenzoyl)-(D~0.84~L~0.16~)-threoninate ethanol solvate 0.79-hydrate","","- C36 H45.61 N4 O11.81 -","- C36 H45.588 N4 O11.794 -","- C144 H182.352 N16 O47.176 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Solid solutions of quasi-isomorphous diastereomeric salts ‒ kinetics versus thermodynamics","CrystEngComm","2013","15","28","5681","","10.1039/c3ce40512e","","","1.54175","CuKα","","0.1631","0.0888","","","0.1948","0.2306","","","","","","0.834","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7209947","7.904","0.002","12.189","0.003","15.721","0.003","106.65","0.02","103.48","0.02","98.91","0.03","1370.6","0.6","100","2","100","2","","","","","","","","4","P 1","P 1","1","","brucinium N-(3-nitrobenzoyl)-L-valinate brucine pentahydrate","","- C58 H76 N6 O18 -","- C58 H76 N6 O18 -","- C58 H76 N6 O18 -","1","1","","Białońska, Agata; Ciunik, Zbigniew","Solid solutions of quasi-isomorphous diastereomeric salts ‒ kinetics versus thermodynamics","CrystEngComm","2013","15","28","5681","","10.1039/c3ce40512e","","","0.71073","MoKα","","0.1019","0.0511","","","0.0744","0.0902","","","","","","0.964","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209948","7.88","0.003","12.092","0.002","34.308","0.006","90","","90","","90","","3269","1.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-(3-nitrobenzoy)-D-alaninate methanol 1.61-solvate","","- C34.61 H42.45 N4 O10.61 -","- C34.615 H42.461 N4 O10.615 -","- C138.46 H169.844 N16 O42.46 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Solid solutions of quasi-isomorphous diastereomeric salts ‒ kinetics versus thermodynamics","CrystEngComm","2013","15","28","5681","","10.1039/c3ce40512e","","","0.71073","MoKα","","0.0798","0.0485","","","0.0972","0.1132","","","","","","1.032","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209949","7.919","0.002","12.266","0.003","34.42","0.005","90","","90","","90","","3343.4","1.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-(3-nitrobenzoy)-L-alaninate methanol disolvate","","- C35 H44 N4 O11 -","- C35 H44 N4 O11 -","- C140 H176 N16 O44 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Solid solutions of quasi-isomorphous diastereomeric salts ‒ kinetics versus thermodynamics","CrystEngComm","2013","15","28","5681","","10.1039/c3ce40512e","","","0.71073","MoKα","","0.0867","0.0711","","","0.1577","0.1638","","","","","","1.14","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209950","12.144","0.003","7.893","0.002","34.093","0.005","90","","90.63","0.03","90","","3267.7","1.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","brucinium N-(3-nitrobenzoy)-(D~0.55~L~0.45~)-alaninate methanol disolvate","","- C35 H44 N4 O11 -","- C35 H44 N4 O11 -","- C140 H176 N16 O44 -","4","2","","Białońska, Agata; Ciunik, Zbigniew","Solid solutions of quasi-isomorphous diastereomeric salts ‒ kinetics versus thermodynamics","CrystEngComm","2013","15","28","5681","","10.1039/c3ce40512e","","","0.71073","MoKα","","0.0909","0.0828","","","0.2016","0.2066","","","","","","1.172","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209951","7.826","0.002","12.048","0.003","35.119","0.006","90","","90","","90","","3311.3","1.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-(3-nitrobenzoy)-(D~0.73~L~0.27~)-alaninate propan-1-ol solvate","","- C36 H44 N4 O10 -","- C36 H44 N4 O10 -","- C144 H176 N16 O40 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Solid solutions of quasi-isomorphous diastereomeric salts ‒ kinetics versus thermodynamics","CrystEngComm","2013","15","28","5681","","10.1039/c3ce40512e","","","1.5417","CuKα","","0.0808","0.0684","","","0.1715","0.1959","","","","","","1.055","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209952","7.798","0.002","12.117","0.003","35.287","0.005","90","","90","","90","","3334.2","1.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-(3-nitrobenzoy)-(D~0.77~L~0.23~)-alaninate propan-1,2-diol solvate","","- C36 H44 N4 O11 -","- C36 H44 N4 O11 -","- C144 H176 N16 O44 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Solid solutions of quasi-isomorphous diastereomeric salts ‒ kinetics versus thermodynamics","CrystEngComm","2013","15","28","5681","","10.1039/c3ce40512e","","","0.71073","MoKα","","0.1351","0.0773","","","0.1727","0.1912","","","","","","1.023","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209953","7.882","0.002","12.211","0.003","35.713","0.006","90","","90","","90","","3437.3","1.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-(3-nitrobenzoy)-(D~0.51~L~0.49~)-alaninate propan-1,3-diol solvate","","- C36 H44 N4 O11 -","- C36.003 H44.008 N4 O11.002 -","- C144.012 H176.032 N16 O44.008 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Solid solutions of quasi-isomorphous diastereomeric salts ‒ kinetics versus thermodynamics","CrystEngComm","2013","15","28","5681","","10.1039/c3ce40512e","","","0.71073","MoKα","","0.1498","0.0704","","","0.1648","0.216","","","","","","0.984","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209954","7.922","0.002","12.252","0.003","35.746","0.006","90","","90","","90","","3469.5","1.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-(3-nitrobenzoyl)-(D~0.82~L~0.18~)-alaninate butanol-1,2-diol 0.82-solvate 0.27-hydrate","","- C36.28 H44.74 N4 O10.91 -","- C36.284 H44.21 N4 O10.911 -","- C145.136 H176.84 N16 O43.644 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Solid solutions of quasi-isomorphous diastereomeric salts ‒ kinetics versus thermodynamics","CrystEngComm","2013","15","28","5681","","10.1039/c3ce40512e","","","0.71073","MoKα","","0.1495","0.0659","","","0.1374","0.1737","","","","","","1.033","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209955","7.837","0.002","12.202","0.003","35.412","0.006","90","","90","","90","","3386.3","1.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-(3-nitrobenzoyl)-(D~0.59~L~0.41~)-alaninate butanol-1,2-diol solvate","","- C37 H46 N4 O11 -","- C37 H46 N4 O11 -","- C148 H184 N16 O44 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Solid solutions of quasi-isomorphous diastereomeric salts ‒ kinetics versus thermodynamics","CrystEngComm","2013","15","28","5681","","10.1039/c3ce40512e","","","0.71073","MoKα","","0.1156","0.0719","","","0.1806","0.1954","","","","","","1.071","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209956","7.906","0.002","12.047","0.003","35.802","0.004","90","","90","","90","","3409.9","1.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-(3-nitrobenzoy)-(D~0.57~L~0.43~)-alaninate butan-1,4-diol solvate","","- C37 H46 N4 O11 -","- C37 H46 N4 O11 -","- C148 H184 N16 O44 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Solid solutions of quasi-isomorphous diastereomeric salts ‒ kinetics versus thermodynamics","CrystEngComm","2013","15","28","5681","","10.1039/c3ce40512e","","","0.71073","MoKα","","0.2015","0.0436","","","0.0602","0.0831","","","","","","0.756","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209957","7.944","0.002","12.52","0.003","33.073","0.004","90","","90","","90","","3289.4","1.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-(3-nitrobenzoyl)-D-serinate trihydrate","","- C33 H42 N4 O13 -","- C33 H42 N4 O13 -","- C132 H168 N16 O52 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Solid solutions of quasi-isomorphous diastereomeric salts ‒ kinetics versus thermodynamics","CrystEngComm","2013","15","28","5681","","10.1039/c3ce40512e","","","0.71073","MoKα","","0.0514","0.0353","","","0.0717","0.0758","","","","","","0.94","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209958","7.835","0.002","12.067","0.003","34.634","0.006","90","","90","","90","","3274.5","1.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-(3-nitrobenzoyl)-L-serinate methanol solvate hydrate","","- C34 H42 N4 O12 -","- C34 H42 N4 O12 -","- C136 H168 N16 O48 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Solid solutions of quasi-isomorphous diastereomeric salts ‒ kinetics versus thermodynamics","CrystEngComm","2013","15","28","5681","","10.1039/c3ce40512e","","","0.71073","MoKα","","0.1096","0.048","","","0.0825","0.0953","","","","","","0.882","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209959","12.47","0.003","13.622","0.003","14.178","0.004","90","","90","","90","","2408.4","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucine propan-1,2-diol solvate 0.19-hydrate","","- C26 H34.38 N2 O6.19 -","- C25.998 H34.369 N2 O6.185 -","- C103.992 H137.476 N8 O24.74 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Solid solutions of quasi-isomorphous diastereomeric salts ‒ kinetics versus thermodynamics","CrystEngComm","2013","15","28","5681","","10.1039/c3ce40512e","","","0.71073","MoKα","","0.0778","0.0588","","","0.1624","0.1797","","","","","","1.034","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209960","12.481","0.002","13.65","0.002","13.981","0.003","90","","90","","90","","2381.9","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucine butan-1,2-diol 0.84-solvate 0.16-hydrate","","- C26.37 H34.74 N2 O5.84 -","- C26.372 H34.43 N2 O5.844 -","- C105.488 H137.72 N8 O23.376 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Solid solutions of quasi-isomorphous diastereomeric salts ‒ kinetics versus thermodynamics","CrystEngComm","2013","15","28","5681","","10.1039/c3ce40512e","","","1.54175","CuKα","","0.0557","0.055","","","0.1489","0.1506","","","","","","1.048","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209961","15.2305","0.0018","15.2305","0.0018","15.2305","0.0018","90","","90","","90","","3533","0.7","296","2","296","2","","","","","","","","6","I m -3 m","-I 4 2 3","229","","","","- C12 H72 Co4 K O72 Ru6 -","- C12 H72.24 Co4 K O72 Ru6 -","- C24 H144.48 Co8 K2 O144 Ru12 -","2","0.0208333","","Liu, Bin; Wang, Dan; Jin, Jin; Jia, Yan-Yan; Liu, Xue-Mei; Xue, Gang-Lin","Heterometallic Co(ii)‒Ru2(ii,iii) carbonates: from discrete ionic crystals to three-dimensional network","CrystEngComm","2013","15","28","5726","","10.1039/c3ce40517f","","","0.71073","MoKα","","0.0499","0.0499","","","0.1625","0.1625","","","","","","1.065","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209962","9.644","0.0019","9.592","0.0019","11.141","0.002","90","","109.71","0.03","90","","970.2","0.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C4 H20 Co K O22 Ru2 -","- C4 H20 Co K O22 Ru2 -","- C8 H40 Co2 K2 O44 Ru4 -","2","1","","Liu, Bin; Wang, Dan; Jin, Jin; Jia, Yan-Yan; Liu, Xue-Mei; Xue, Gang-Lin","Heterometallic Co(ii)‒Ru2(ii,iii) carbonates: from discrete ionic crystals to three-dimensional network","CrystEngComm","2013","15","28","5726","","10.1039/c3ce40517f","","","0.71073","MoKα","","0.0389","0.0338","","","0.0717","0.0735","","","","","","1.069","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209963","18.408","0.004","9.3923","0.0019","10.07","0.002","90","","90","","90","","1741","0.6","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C4 H10 Co K O17 Ru2 -","- C4 H10 Co K O17 Ru2 -","- C16 H40 Co4 K4 O68 Ru8 -","4","0.5","","Liu, Bin; Wang, Dan; Jin, Jin; Jia, Yan-Yan; Liu, Xue-Mei; Xue, Gang-Lin","Heterometallic Co(ii)‒Ru2(ii,iii) carbonates: from discrete ionic crystals to three-dimensional network","CrystEngComm","2013","15","28","5726","","10.1039/c3ce40517f","","","0.71073","MoKα","","0.0669","0.0549","","","0.1483","0.1566","","","","","","1.083","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209964","9.586","0.0019","10.713","0.002","13.527","0.003","90","","90","","90","","1389.2","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 Cu N4 O3 -","- C13 H14 Cu N4 O3 -","- C52 H56 Cu4 N16 O12 -","4","1","","Ding, Shuai; Gao, Yanfei; Ji, Yufei; Wang, Yanqin; Liu, Zhiliang","Homochiral crystallization of single-stranded helical coordination polymers: generated by the structure of auxiliary ligands or spontaneous symmetry breaking","CrystEngComm","2013","15","28","5598","","10.1039/c3ce40519b","","","0.71073","MoKα","","0.0273","0.0237","","","0.064","0.0662","","","","","","0.88","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209965","9.589","0.0019","10.709","0.002","13.528","0.003","90","","90","","90","","1389.2","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 Cu N4 O3 -","- C13 H14 Cu N4 O3 -","- C52 H56 Cu4 N16 O12 -","4","1","","Ding, Shuai; Gao, Yanfei; Ji, Yufei; Wang, Yanqin; Liu, Zhiliang","Homochiral crystallization of single-stranded helical coordination polymers: generated by the structure of auxiliary ligands or spontaneous symmetry breaking","CrystEngComm","2013","15","28","5598","","10.1039/c3ce40519b","","","0.71073","MoKα","","0.0255","0.0235","","","0.0627","0.0635","","","","","","1.065","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209966","9.5958","0.0019","10.99","0.002","12.258","0.003","90","","90","","90","","1292.7","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 Cu N4 O3 -","- C12 H12 Cu N4 O3 -","- C48 H48 Cu4 N16 O12 -","4","1","","Ding, Shuai; Gao, Yanfei; Ji, Yufei; Wang, Yanqin; Liu, Zhiliang","Homochiral crystallization of single-stranded helical coordination polymers: generated by the structure of auxiliary ligands or spontaneous symmetry breaking","CrystEngComm","2013","15","28","5598","","10.1039/c3ce40519b","","","0.71073","MoKα","","0.0293","0.0238","","","0.0518","0.0525","","","","","","0.96","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209967","8.2239","0.0016","9.5128","0.0019","10.46","0.002","64.03","0.03","71.43","0.03","83.95","0.03","696.8","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H22 Br2 Cu2 N8 O4 -","- C24 H22 Br2 Cu2 N8 O4 -","- C24 H22 Br2 Cu2 N8 O4 -","1","0.5","","Ding, Shuai; Gao, Yanfei; Ji, Yufei; Wang, Yanqin; Liu, Zhiliang","Homochiral crystallization of single-stranded helical coordination polymers: generated by the structure of auxiliary ligands or spontaneous symmetry breaking","CrystEngComm","2013","15","28","5598","","10.1039/c3ce40519b","","","0.71073","MoKα","","0.0843","0.0759","","","0.1943","0.1973","","","","","","1.266","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209968","9.518","0.004","11.058","0.004","14.814","0.006","92.275","0.007","105.925","0.007","109.584","0.006","1397.6","1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H11 Br Cu N4 O2 -","- C12 H11 Br Cu N4 O2 -","- C48 H44 Br4 Cu4 N16 O8 -","4","2","","Ding, Shuai; Gao, Yanfei; Ji, Yufei; Wang, Yanqin; Liu, Zhiliang","Homochiral crystallization of single-stranded helical coordination polymers: generated by the structure of auxiliary ligands or spontaneous symmetry breaking","CrystEngComm","2013","15","28","5598","","10.1039/c3ce40519b","","","0.71073","MoKα","","0.1529","0.0659","","","0.1619","0.1906","","","","","","1.018","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209969","13.724","0.003","13.478","0.003","15.482","0.007","90","","117.98","0.02","90","","2529","1.5","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 Br Cu N4 O2 -","- C11 H9 Br Cu N4 O2 -","- C88 H72 Br8 Cu8 N32 O16 -","8","2","","Ding, Shuai; Gao, Yanfei; Ji, Yufei; Wang, Yanqin; Liu, Zhiliang","Homochiral crystallization of single-stranded helical coordination polymers: generated by the structure of auxiliary ligands or spontaneous symmetry breaking","CrystEngComm","2013","15","28","5598","","10.1039/c3ce40519b","","","0.71073","MoKα","","0.0426","0.0271","","","0.0656","0.0707","","","","","","1.057","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209970","10.2341","0.0002","10.5536","0.0002","10.9976","0.0002","94.6444","0.0018","108.019","0.0019","108.183","0.002","1052.24","0.04","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H28 Mn2 N10 O4 Pt S6 -","- C38 H28 Mn2 N10 O4 Pt S6 -","- C38 H28 Mn2 N10 O4 Pt S6 -","1","0.5","","Šilha, Tomáš; Nemec, Ivan; Herchel, Radovan; Trávníček, Zdeněk","Structural and magnetic characterizations of the first manganese(iii) Schiff base complexes involving hexathiocyanidoplatinate(iv) bridges","CrystEngComm","2013","15","26","5351","","10.1039/c3ce40524a","","","0.71073","MoKα","","0.0143","0.0142","","","0.0363","0.0364","","","","","","1.048","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209971","14.055","0.0004","14.4443","0.0004","17.5311","0.0007","90","","122.72","0.002","90","","2994.32","0.18","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C56 H52 Mn2 N10 O10 Pt S6 -","- C56 H52 Mn2 N10 O10 Pt S6 -","- C112 H104 Mn4 N20 O20 Pt2 S12 -","2","0.5","","Šilha, Tomáš; Nemec, Ivan; Herchel, Radovan; Trávníček, Zdeněk","Structural and magnetic characterizations of the first manganese(iii) Schiff base complexes involving hexathiocyanidoplatinate(iv) bridges","CrystEngComm","2013","15","26","5351","","10.1039/c3ce40524a","","","0.71073","MoKα","","0.0434","0.0314","","","0.0784","0.0812","","","","","","0.997","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209972","49.033","0.002","8.9877","0.0003","18.4357","0.0006","90","","90","","90","","8124.5","0.5","150","2","150","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C80 H78 Cd Cl2 N14 O18 -","- C80 H80 Cd Cl2 N14 O18 -","- C320 H320 Cd4 Cl8 N56 O72 -","4","","","Tzeng, Biing-Chiau; Chao, An; Selvam, TamilSelvi; Chang, Tsung-Yi","Polyrotaxane frameworks containing N,N′,N′′-(4,4′,4′′-nitrilotris(4,1-phenylene))triisonicotinamide: structural and luminescent properties","CrystEngComm","2013","15","26","5337","","10.1039/c3ce40558c","","","0.71073","MoKα","","0.1186","0.0712","","","0.1952","0.2251","","","","","","1.031","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209973","49.17","0.004","9.0156","0.0007","18.0678","0.0015","90","","90","","90","","8009.4","1.1","150","2","150","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C80 H78 Cl2 N14 O18 Zn -","- C80 H78 Cl2 N14 O18 Zn -","- C320 H312 Cl8 N56 O72 Zn4 -","4","","","Tzeng, Biing-Chiau; Chao, An; Selvam, TamilSelvi; Chang, Tsung-Yi","Polyrotaxane frameworks containing N,N′,N′′-(4,4′,4′′-nitrilotris(4,1-phenylene))triisonicotinamide: structural and luminescent properties","CrystEngComm","2013","15","26","5337","","10.1039/c3ce40558c","","","0.71073","MoKα","","0.1246","0.11","","","0.3009","0.3135","","","","","","1.235","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7209974","25.242","0.009","19.401","0.007","8.718","0.003","90","","91.011","0.006","90","","4269","3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H45 Cu I N9 O6 -","- C43 H45 Cu I N9 O6 -","- C172 H180 Cu4 I4 N36 O24 -","4","1","","Tzeng, Biing-Chiau; Chao, An; Selvam, TamilSelvi; Chang, Tsung-Yi","Polyrotaxane frameworks containing N,N′,N′′-(4,4′,4′′-nitrilotris(4,1-phenylene))triisonicotinamide: structural and luminescent properties","CrystEngComm","2013","15","26","5337","","10.1039/c3ce40558c","","","0.71073","MoKα","","0.1038","0.0932","","","0.2713","0.2845","","","","","","1.077","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209975","46.404","0.005","8.9009","0.0009","19.4327","0.0019","90","","90.374","0.003","90","","8026.3","1.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C83 H75 Cu N19 O9 S2 -","- C83 H75 Cu N19 O9 S2 -","- C332 H300 Cu4 N76 O36 S8 -","4","0.5","","Tzeng, Biing-Chiau; Chao, An; Selvam, TamilSelvi; Chang, Tsung-Yi","Polyrotaxane frameworks containing N,N′,N′′-(4,4′,4′′-nitrilotris(4,1-phenylene))triisonicotinamide: structural and luminescent properties","CrystEngComm","2013","15","26","5337","","10.1039/c3ce40558c","","","0.71073","MoKα","","0.0934","0.0593","","","0.1543","0.1869","","","","","","1.102","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209976","29.174","0.004","16.934","0.002","18.119","0.002","90","","110.166","0.002","90","","8402.6","1.8","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C83 H76 N15 O12 -","- C83 H76 N15 O12 -","- C332 H304 N60 O48 -","4","1","","Tzeng, Biing-Chiau; Chao, An; Selvam, TamilSelvi; Chang, Tsung-Yi","Polyrotaxane frameworks containing N,N′,N′′-(4,4′,4′′-nitrilotris(4,1-phenylene))triisonicotinamide: structural and luminescent properties","CrystEngComm","2013","15","26","5337","","10.1039/c3ce40558c","","","0.71073","MoKα","","0.1026","0.0818","","","0.2206","0.251","","","","","","1.077","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209977","7.2366","0.0003","8.4314","0.0003","7.2292","0.0003","90","","90","","90","","441.09","0.03","295","2","295","2","","","","","","","","4","P m m n :2","-P 2ab 2a","59","","","","- C3 H3 I3 N2 -","- C3 H3 I3 N2 -","- C6 H6 I6 N4 -","2","0.25","","Węcławik, Magdalena; Gągor, Anna; Piecha, Anna; Jakubas, Ryszard; Medycki, Wojciech","Synthesis, crystal structure and phase transitions of a series of imidazolium iodides","CrystEngComm","2013","15","28","5633","","10.1039/c3ce40559a","","","0.71073","MoKα","","0.0276","0.023","","","0.0492","0.0514","","","","","","1.056","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209978","7.8732","0.0005","15.4592","0.0007","9.6771","0.0006","90","","106.647","0.006","90","","1128.47","0.12","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C3 H5 I N2 -","- C3 H5 I N2 -","- C24 H40 I8 N16 -","8","2","","Węcławik, Magdalena; Gągor, Anna; Piecha, Anna; Jakubas, Ryszard; Medycki, Wojciech","Synthesis, crystal structure and phase transitions of a series of imidazolium iodides","CrystEngComm","2013","15","28","5633","","10.1039/c3ce40559a","","","0.71073","MoKα","","0.0683","0.0624","","","0.132","0.1342","","","","","","1.276","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209979","7.8956","0.0009","7.8956","0.0009","8.0774","0.0016","90","","90","","120","","436.09","0.11","295","2","295","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- C3 H5 I N2 -","- C2.9988 H4.998 I N1.9992 -","- C8.9964 H14.994 I3 N5.9976 -","3","0.0833333","","Węcławik, Magdalena; Gągor, Anna; Piecha, Anna; Jakubas, Ryszard; Medycki, Wojciech","Synthesis, crystal structure and phase transitions of a series of imidazolium iodides","CrystEngComm","2013","15","28","5633","","10.1039/c3ce40559a","","","0.71073","MoKα","","0.0204","0.0204","","","0.0547","0.0547","","","","","","0.975","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209980","13.9633","0.0016","15.6595","0.001","14.9399","0.0013","90","","116.778","0.007","90","","2916.4","0.5","115","2","115","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C6 H10 I4 N4 -","- C6 H10 I4 N4 -","- C48 H80 I32 N32 -","8","1","","Węcławik, Magdalena; Gągor, Anna; Piecha, Anna; Jakubas, Ryszard; Medycki, Wojciech","Synthesis, crystal structure and phase transitions of a series of imidazolium iodides","CrystEngComm","2013","15","28","5633","","10.1039/c3ce40559a","","","0.71073","MoKα","","0.0581","0.0463","","","0.1224","0.1289","","","","","","1.201","","","","has coordinates","212110","2020-10-21","18:00:00",""
"7209981","14.1543","0.0012","15.7359","0.001","27.1076","0.0017","90","","90","","90","","6037.7","0.7","295","2","295","2","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C12 H20 I8 N8 -","- C12 H20 I8 N8 -","- C96 H160 I64 N64 -","8","0.25","","Węcławik, Magdalena; Gągor, Anna; Piecha, Anna; Jakubas, Ryszard; Medycki, Wojciech","Synthesis, crystal structure and phase transitions of a series of imidazolium iodides","CrystEngComm","2013","15","28","5633","","10.1039/c3ce40559a","","","0.71073","MoKα","","0.1018","0.0343","","","0.0869","0.1057","","","","","","0.834","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209982","23.746","0.008","12.946","0.004","15.957","0.005","90","","90","","90","","4905","3","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C18 H18 Mn2 N14 O4 -","- C18 H16 Mn2 N14 O4 -","- C144 H128 Mn16 N112 O32 -","8","1","","Dong, Wen-Wen; Li, Dong-Sheng; Zhao, Jun; Ma, Lu-Fang; Wu, Ya-Pan; Duan, Ya-Ping","Two solvent-dependent manganese(ii) supramolecular isomers: solid-state transformation and magnetic properties","CrystEngComm","2013","15","27","5412","","10.1039/c3ce40565f","","","0.71073","MoKα","","0.0698","0.0542","","","0.1264","0.1356","","","","","","1.032","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209983","19.6971","0.0009","19.6971","0.0009","19.9978","0.0008","90","","90","","90","","7758.7","0.6","296","2","296","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C21 H21 Mn2 N15 O3 -","- C21 H21 Mn2 N15 O3 -","- C168 H168 Mn16 N120 O24 -","8","0.5","","Dong, Wen-Wen; Li, Dong-Sheng; Zhao, Jun; Ma, Lu-Fang; Wu, Ya-Pan; Duan, Ya-Ping","Two solvent-dependent manganese(ii) supramolecular isomers: solid-state transformation and magnetic properties","CrystEngComm","2013","15","27","5412","","10.1039/c3ce40565f","","","0.71073","MoKα","","0.0711","0.0624","","","0.1755","0.1846","","","","","","1.064","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209984","16.2278","0.0013","10.2439","0.0009","17.3848","0.0014","90","","113.77","0.002","90","","2644.8","0.4","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H26 Cl2 Cu Mn N2 O15 -","- C19 H26 Cl2 Cu Mn N2 O15 -","- C76 H104 Cl8 Cu4 Mn4 N8 O60 -","4","1","","Biswas, Arpita; Mandal, Leena; Mondal, Suraj; Lucas, C. Robert; Mohanta, Sasankasekhar","More surprising differences between two closely similar compartmental ligand families and another dinuclear synthon to stabilize dinuclear‒mononuclear cocrystals","CrystEngComm","2013","15","29","5888","","10.1039/c3ce40569a","","","0.71073","MoKα","","0.0524","0.0396","","","0.1233","0.1341","","","","","","1.072","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209985","16.3338","0.001","10.193","0.0007","17.2984","0.0012","90","","114.814","0.002","90","","2614.1","0.3","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H26 Cl2 Cu Fe N2 O15 -","- C19 H26 Cl2 Cu Fe N2 O15 -","- C76 H104 Cl8 Cu4 Fe4 N8 O60 -","4","1","","Biswas, Arpita; Mandal, Leena; Mondal, Suraj; Lucas, C. Robert; Mohanta, Sasankasekhar","More surprising differences between two closely similar compartmental ligand families and another dinuclear synthon to stabilize dinuclear‒mononuclear cocrystals","CrystEngComm","2013","15","29","5888","","10.1039/c3ce40569a","","","0.71073","MoKα","","0.0487","0.0405","","","0.1348","0.1455","","","","","","1.161","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209986","11.5653","0.0015","26.5","0.003","22.771","0.003","90","","95.591","0.002","90","","6945.7","1.5","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C69 H68 Cl2 Cu3 Mn N6 O24 -","- C69 H68 Cl2 Cu3 Mn N6 O24 -","- C276 H272 Cl8 Cu12 Mn4 N24 O96 -","4","1","","Biswas, Arpita; Mandal, Leena; Mondal, Suraj; Lucas, C. Robert; Mohanta, Sasankasekhar","More surprising differences between two closely similar compartmental ligand families and another dinuclear synthon to stabilize dinuclear‒mononuclear cocrystals","CrystEngComm","2013","15","29","5888","","10.1039/c3ce40569a","","","0.71073","MoKα","","0.0618","0.0387","","","0.117","0.1384","","","","","","0.942","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209987","11.557","0.002","26.632","0.005","22.822","0.005","90","","95.719","0.006","90","","6989","2","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C69 H68 Cl2 Cu3 Fe N6 O24 -","- C69 H68 Cl2 Cu3 Fe N6 O24 -","- C276 H272 Cl8 Cu12 Fe4 N24 O96 -","4","1","","Biswas, Arpita; Mandal, Leena; Mondal, Suraj; Lucas, C. Robert; Mohanta, Sasankasekhar","More surprising differences between two closely similar compartmental ligand families and another dinuclear synthon to stabilize dinuclear‒mononuclear cocrystals","CrystEngComm","2013","15","29","5888","","10.1039/c3ce40569a","","","0.71073","MoKα","","0.0565","0.0376","","","0.1168","0.135","","","","","","0.953","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209988","12.2417","0.0004","12.8209","0.0005","20.5866","0.0008","94.519","0.003","90.329","0.003","111.576","0.003","2993.2","0.2","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C12 H58 Cu3 N10 O52 P Tb W11 -","- C12 H40 Cu3 N10 O52 P Tb W11 -","- C24 H80 Cu6 N20 O104 P2 Tb2 W22 -","2","1","","Zhao, Hai-Yan; Zhao, Jun-Wei; Yang, Bai-Feng; He, Huan; Yang, Guo-Yu","Novel organic‒inorganic hybrid one-dimensional chain assembled by oxalate-bridging terbium-substituted phosphotungstate dimers and dinuclear copper(ii)‒oxalate clusters","CrystEngComm","2013","15","26","5209","","10.1039/c3ce40573g","","","0.71073","MoKα","","0.0519","0.0399","","","0.0962","0.1013","","","","","","1.063","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209989","10.814","0.0013","10.814","0.0013","25.41","0.004","90","","90","","90","","2971.5","0.7","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C19 H13 N7 O8 Zn2 -","- C19 H13 N7 O8 Zn2 -","- C76 H52 N28 O32 Zn8 -","4","0.5","","Pan, Jie; Jiang, Fei-Long; Yuan, Da-Qiang; Shan, Xiao-Chen; Wu, Ming-Yan; Zhou, Kang; Gai, Yan-Li; Li, Xing-Jun; Hong, Mao-Chun","The 3D porous metal‒organic frameworks based on bis(pyrazinyl)‒trizole: structures, photoluminescence and gas adsorption properties","CrystEngComm","2013","15","28","5673","","10.1039/c3ce40574e","","","0.71073","MoKα","","0.0325","0.0319","","","0.0873","0.0879","","","","","","1.096","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209990","20.73","0.008","14.751","0.005","20.709","0.008","90","","97.174","0.004","90","","6283","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H27 Cd2 N9 O9 -","- C27 H27 Cd2 N9 O9 -","- C216 H216 Cd16 N72 O72 -","8","1","","Pan, Jie; Jiang, Fei-Long; Yuan, Da-Qiang; Shan, Xiao-Chen; Wu, Ming-Yan; Zhou, Kang; Gai, Yan-Li; Li, Xing-Jun; Hong, Mao-Chun","The 3D porous metal‒organic frameworks based on bis(pyrazinyl)‒trizole: structures, photoluminescence and gas adsorption properties","CrystEngComm","2013","15","28","5673","","10.1039/c3ce40574e","","","0.71073","MoKα","","0.0801","0.0626","","","0.1886","0.2053","","","","","","1.081","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209991","7.5673","0.0005","9.3773","0.0005","7.7862","0.0005","90","","108.734","0.007","90","","523.24","0.06","301","2","301","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 Mg N2 O8 -","- C8 H12 Mg N2 O8 -","- C16 H24 Mg2 N4 O16 -","2","0.5","","Chen, Wu-lin; Chen, Wen-Xian; Zhuang, Gui-lin; Zheng, Jun; Tan, Li; Zhong, Xing; Wang, Jian-guo","The effect of earth metal ion on the property of peptide-based metal‒organic frameworks","CrystEngComm","2013","15","27","5545","","10.1039/c3ce40587g","","","0.71073","MoKα","","0.0405","0.0368","","","0.1088","0.1116","","","","","","1.192","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209992","7.5941","0.0004","5.6569","0.0003","13.1056","0.0006","90","","95.284","0.004","90","","560.61","0.05","301","2","301","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H12 Ca N2 O8 -","- C8 H12 Ca N2 O8 -","- C16 H24 Ca2 N4 O16 -","2","0.5","","Chen, Wu-lin; Chen, Wen-Xian; Zhuang, Gui-lin; Zheng, Jun; Tan, Li; Zhong, Xing; Wang, Jian-guo","The effect of earth metal ion on the property of peptide-based metal‒organic frameworks","CrystEngComm","2013","15","27","5545","","10.1039/c3ce40587g","","","0.71073","MoKα","","0.0296","0.0257","","","0.0649","0.0669","","","","","","1.129","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209993","23.6213","0.0016","6.9431","0.0005","8.0865","0.0004","90","","104.072","0.009","90","","1286.43","0.15","301","2","301","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H14 N2 O9 Sr -","- C8 H14 N2 O9 Sr -","- C32 H56 N8 O36 Sr4 -","4","0.5","","Chen, Wu-lin; Chen, Wen-Xian; Zhuang, Gui-lin; Zheng, Jun; Tan, Li; Zhong, Xing; Wang, Jian-guo","The effect of earth metal ion on the property of peptide-based metal‒organic frameworks","CrystEngComm","2013","15","27","5545","","10.1039/c3ce40587g","","","0.71073","MoKα","","0.0211","0.0196","","","0.0494","0.0501","","","","","","1.049","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209994","4.6423","0.0002","13.5308","0.0006","17.7254","0.0009","90","","93.474","0.004","90","","1111.36","0.09","301","2","301","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H10 Ba N2 O7 -","- C8 H10 Ba N2 O7 -","- C32 H40 Ba4 N8 O28 -","4","0.5","","Chen, Wu-lin; Chen, Wen-Xian; Zhuang, Gui-lin; Zheng, Jun; Tan, Li; Zhong, Xing; Wang, Jian-guo","The effect of earth metal ion on the property of peptide-based metal‒organic frameworks","CrystEngComm","2013","15","27","5545","","10.1039/c3ce40587g","","","0.71073","MoKα","","0.0151","0.015","","","0.0352","0.0353","","","","","","1.2","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209995","17.7748","0.0005","10.7982","0.0003","19.9149","0.0005","90","","106.716","0.003","90","","3660.86","0.18","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- Cl10 Cr14 H97 N29 O5 S16 -","- Cl10 Cr14 H97 N29 O5 S16 -","- Cl20 Cr28 H194 N58 O10 S32 -","2","0.25","","Du, Ke-Zhao; Feng, Mei-Ling; Li, Jian-Rong; Huang, Xiao-Ying","Ionothermal synthesis and characterization of two cluster chalcohalides: [Cr7S8Cl2(NH3)14.5(H2O)1.5]Cl3·H2O and [Emim]2[Sn2As2S4(S2)2Br2.43Cl1.56]","CrystEngComm","2013","15","28","5594","","10.1039/c3ce40592c","","","0.71073","MoKα","","0.0482","0.0288","","","0.0674","0.07","","","","","","1.006","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209996","15.1894","0.0004","12.7155","0.0003","16.4353","0.0004","90","","90","","90","","3174.33","0.14","293","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C12 H22 As2 Br2.43 Cl1.56 N4 S8 Sn2 -","- C12 H22 As2 Br2.434 Cl1.56 N4 S8 Sn2 -","- C48 H88 As8 Br9.736 Cl6.24 N16 S32 Sn8 -","4","0.5","","Du, Ke-Zhao; Feng, Mei-Ling; Li, Jian-Rong; Huang, Xiao-Ying","Ionothermal synthesis and characterization of two cluster chalcohalides: [Cr7S8Cl2(NH3)14.5(H2O)1.5]Cl3·H2O and [Emim]2[Sn2As2S4(S2)2Br2.43Cl1.56]","CrystEngComm","2013","15","28","5594","","10.1039/c3ce40592c","","","0.71073","MoKα","","0.0471","0.0314","","","0.0641","0.0706","","","","","","1.005","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209997","29.585","0.013","3.8211","0.0018","11.156","0.005","90","","97.327","0.005","90","","1250.9","1","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Potassium hydrogen bis(benzoate)","","","- C14 H11 K O4 -","- C14 H11 K O4 -","- C56 H44 K4 O16 -","4","0.5","","Perumalla, Sathyanarayana Reddy; Sun, Changquan Calvin","Improved solid-state stability of salts by cocrystallization between conjugate acid‒base pairs","CrystEngComm","2013","15","29","5756","","10.1039/c3ce40593a","","","0.71073","MoKα","","0.0548","0.0494","","","0.1323","0.1357","","","","","","1.122","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209998","6.875","0.0011","6.9872","0.0011","30.188","0.005","90","","90","","90","","1450.1","0.4","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Ammonium benzoate","","","- C7 H9 N O2 -","- C7 H9 N O2 -","- C56 H72 N8 O16 -","8","1","","Perumalla, Sathyanarayana Reddy; Sun, Changquan Calvin","Improved solid-state stability of salts by cocrystallization between conjugate acid‒base pairs","CrystEngComm","2013","15","29","5756","","10.1039/c3ce40593a","","","0.71073","MoKα","","0.0552","0.0428","","","0.0863","0.0916","","","","","","1.094","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209999","29.234","0.01","3.8543","0.0013","11.408","0.004","90","","94.455","0.005","90","","1281.5","0.8","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Ammonium hydrogen bis(benzoate)","","","- C14 H15 N O4 -","- C14 H15 N O4 -","- C56 H60 N4 O16 -","4","0.5","","Perumalla, Sathyanarayana Reddy; Sun, Changquan Calvin","Improved solid-state stability of salts by cocrystallization between conjugate acid‒base pairs","CrystEngComm","2013","15","29","5756","","10.1039/c3ce40593a","","","0.71073","MoKα","","0.0928","0.0616","","","0.1381","0.1545","","","","","","1.08","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7210000","5.8207","0.0011","14.46","0.003","22.09","0.004","90","","97.084","0.003","90","","1845.1","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Sodium dihydrogen tris(benzoate)","","","- C21 H17 Na O6 -","- C21 H17 Na O6 -","- C84 H68 Na4 O24 -","4","1","","Perumalla, Sathyanarayana Reddy; Sun, Changquan Calvin","Improved solid-state stability of salts by cocrystallization between conjugate acid‒base pairs","CrystEngComm","2013","15","29","5756","","10.1039/c3ce40593a","","","0.71073","MoKα","","0.0634","0.0437","","","0.1055","0.1159","","","","","","1.031","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210001","10.0863","0.0005","10.9647","0.0004","18.8209","0.0009","90","","92.043","0.004","90","","2080.14","0.16","85","2","85","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H8 Br N3 O -","- C11 H8 Br N3 O -","- C88 H64 Br8 N24 O8 -","8","2","","Khavasi, Hamid Reza; Tehrani, Alireza Azhdari","Halogen bonding synthon crossover in conformational polymorphism","CrystEngComm","2013","15","29","5813","","10.1039/c3ce40600h","","","0.71073","MoKα","","0.0831","0.0591","","","0.1117","0.1196","","","","","","1.153","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210002","3.8163","0.0006","22.85","0.003","11.918","0.002","90","","92.724","0.013","90","","1038.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 Br N3 O -","- C11 H8 Br N3 O -","- C44 H32 Br4 N12 O4 -","4","1","","Khavasi, Hamid Reza; Tehrani, Alireza Azhdari","Halogen bonding synthon crossover in conformational polymorphism","CrystEngComm","2013","15","29","5813","","10.1039/c3ce40600h","","","0.71073","MoKα","","0.0558","0.0486","","","0.1216","0.1265","","","","","","1.09","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7210003","12.568","0.0003","13.59","0.0004","25.68","0.0008","80.498","0.003","76.872","0.002","76.607","0.002","4125.9","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C120 H109 Mo8 N36 O44 Zn4 -","- C120 H82 Mo8 N36 O44.5 Zn4 -","- C120 H82 Mo8 N36 O44.5 Zn4 -","1","0.5","","Wang, Wei; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang","Three new inorganic‒organic hybrid compounds constructed from two kinds of octamolybdate clusters and flexible multidentate N-donor ligand: syntheses, structures, electrochemistry, luminescence, and photocatalytic properties","CrystEngComm","2013","15","29","5844","","10.1039/c3ce40626a","","","0.71069","MoKα","","0.0961","0.0719","","","0.1964","0.2163","","","","","","1.074","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210004","16.994","0.0003","18.914","0.0004","18.948","0.0008","108.314","0.003","106.718","0.002","109.066","0.002","4920.6","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C120 H122 Mo16 N36 O81 S Zn6 -","- C120 H60 Mo16 N36 O81 S Zn6 -","- C120 H60 Mo16 N36 O81 S Zn6 -","1","0.5","","Wang, Wei; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang","Three new inorganic‒organic hybrid compounds constructed from two kinds of octamolybdate clusters and flexible multidentate N-donor ligand: syntheses, structures, electrochemistry, luminescence, and photocatalytic properties","CrystEngComm","2013","15","29","5844","","10.1039/c3ce40626a","","","0.71069","MoKα","","0.0962","0.0716","","","0.1976","0.2232","","","","","","1.044","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210005","16.4725","0.0007","18.9713","0.0004","19.232","0.0005","108.409","0.002","108.935","0.003","106.424","0.003","4871.8","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H61 Cd2 Mo8 N18 O38.5 -","- C60 H34 Cd2 Mo8 N18 O38.5 -","- C120 H68 Cd4 Mo16 N36 O77 -","2","1","","Wang, Wei; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang","Three new inorganic‒organic hybrid compounds constructed from two kinds of octamolybdate clusters and flexible multidentate N-donor ligand: syntheses, structures, electrochemistry, luminescence, and photocatalytic properties","CrystEngComm","2013","15","29","5844","","10.1039/c3ce40626a","","","0.71073","MoKα","","0.0957","0.0637","","","0.1592","0.1894","","","","","","1.035","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210006","16.1814","0.0015","10.4831","0.0009","18.8326","0.0016","90","","90","","90","","3194.6","0.5","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H24 N2 O5 -","- C13 H24 N2 O5 -","- C104 H192 N16 O40 -","8","1","","Maity, Suman Kumar; Bera, Santu; Paikar, Arpita; Pramanik, Apurba; Haldar, Debasish","Fabrication of microspheres from self-assembled γ-peptides","CrystEngComm","2013","15","29","5860","","10.1039/c3ce40689j","","","0.71073","MoKα","","0.0688","0.0452","","","0.1045","0.1142","","","","","","1.271","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210007","9.4323","0.001","19.848","0.002","20.122","0.002","90","","90","","90","","3767.1","0.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H26 N2 O5 -","- C18 H26 N2 O5 -","- C144 H208 N16 O40 -","8","1","","Maity, Suman Kumar; Bera, Santu; Paikar, Arpita; Pramanik, Apurba; Haldar, Debasish","Fabrication of microspheres from self-assembled γ-peptides","CrystEngComm","2013","15","29","5860","","10.1039/c3ce40689j","","","0.71073","MoKα","","0.0778","0.0562","","","0.127","0.137","","","","","","1.163","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210008","10.864","0.003","11.56","0.003","31.828","0.009","90.032","0.005","90.091","0.005","91.966","0.004","3994.9","1.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H26 N2 O6 -","- C18 H26 N2 O6 -","- C144 H208 N16 O48 -","8","4","","Maity, Suman Kumar; Bera, Santu; Paikar, Arpita; Pramanik, Apurba; Haldar, Debasish","Fabrication of microspheres from self-assembled γ-peptides","CrystEngComm","2013","15","29","5860","","10.1039/c3ce40689j","","","0.71073","MoKα","","0.1623","0.1255","","","0.3577","0.3793","","","","","","1.138","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7210009","9.5387","0.0015","23.208","0.004","7.4056","0.0012","90","","90","","90","","1639.4","0.5","150","1","150","1","","","","","","","see text","3","P c c n","-P 2ab 2ac","56","hexa-2,4-diyne-1,6-diyl bis(phenylcarbonate)","hexa-2,4-diyne-1,6-diyl bis(phenylcarbonate)","","- C20 H14 O6 -","- C20 H14 O6 -","- C80 H56 O24 -","4","0.5","","Dikundwar, Amol G.; Venkateswarlu, Ch.; Chandrakala, R. N.; Chandrasekaran, Srinivasan; Row, Tayur N. Guru","H/F isosteric substitution to attest different equi-energetic molecular conformations in crystals","CrystEngComm","2013","15","27","5403","","10.1039/c3ce40697k","","x-ray","0.71073","MoKα","","0.0441","0.0302","","","0.077","0.0811","","","","","","1.043","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210010","5.2422","0.0003","7.156","0.0004","13.2155","0.0007","93.426","0.004","98.645","0.004","109.868","0.005","457.66","0.05","150","1","150","1","","","","","","","see text","4","P -1","-P 1","2","","hexa-2,4-diyne-1,6-diyl bis(2,4,6-trifluorophenylcarbonate)","","- C20 H8 F6 O6 -","- C20 H8 F6 O6 -","- C20 H8 F6 O6 -","1","0.5","","Dikundwar, Amol G.; Venkateswarlu, Ch.; Chandrakala, R. N.; Chandrasekaran, Srinivasan; Row, Tayur N. Guru","H/F isosteric substitution to attest different equi-energetic molecular conformations in crystals","CrystEngComm","2013","15","27","5403","","10.1039/c3ce40697k","","x-ray","0.71073","MoKα","","0.0317","0.0285","","","0.0729","0.0747","","","","","","1.028","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210011","20.8305","0.0012","3.9051","0.0003","22.4954","0.0012","90","","110.433","0.007","90","","1714.8","0.2","150","1","150","1","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","hexa-2,4-diyne-1,6-diyl bis(3-fluorophenylcarbonate)","","- C20 H12 F2 O6 -","- C20 H12 F2 O6 -","- C80 H48 F8 O24 -","4","1","","Dikundwar, Amol G.; Venkateswarlu, Ch.; Chandrakala, R. N.; Chandrasekaran, Srinivasan; Row, Tayur N. Guru","H/F isosteric substitution to attest different equi-energetic molecular conformations in crystals","CrystEngComm","2013","15","27","5403","","10.1039/c3ce40697k","","x-ray","0.71073","MoKα","","0.0448","0.0364","","","0.097","0.1032","","","","","","1.053","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210012","22.665","0.005","9.956","0.005","7.442","0.005","90","","90","","90","","1679.3","1.5","150","1","150","1","","","","","","","see text","4","P c c n","-P 2ab 2ac","56","","hexa-2,4-diyne-1,6-diyl bis(2-fluorophenylcarbonate)","","- C20 H12 F2 O6 -","- C20 H12 F2 O6 -","- C80 H48 F8 O24 -","4","0.5","","Dikundwar, Amol G.; Venkateswarlu, Ch.; Chandrakala, R. N.; Chandrasekaran, Srinivasan; Row, Tayur N. Guru","H/F isosteric substitution to attest different equi-energetic molecular conformations in crystals","CrystEngComm","2013","15","27","5403","","10.1039/c3ce40697k","","x-ray","0.71073","MoKα","","0.0503","0.0367","","","0.0919","0.1004","","","","","","1.061","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210013","9.6359","0.0009","23.748","0.002","7.268","0.0006","90","","90","","90","","1663.2","0.3","150","1","150","1","","","","","","","see text","4","P c c n","-P 2ab 2ac","56","","hexa-2,4-diyne-1,6-diyl bis(4-fluorophenylcarbonate)'","","- C20 H12 F2 O6 -","- C20 H12 F2 O6 -","- C80 H48 F8 O24 -","4","0.5","","Dikundwar, Amol G.; Venkateswarlu, Ch.; Chandrakala, R. N.; Chandrasekaran, Srinivasan; Row, Tayur N. Guru","H/F isosteric substitution to attest different equi-energetic molecular conformations in crystals","CrystEngComm","2013","15","27","5403","","10.1039/c3ce40697k","","x-ray","0.71073","MoKα","","0.0508","0.0371","","","0.1015","0.1092","","","","","","1.049","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210014","14.8152","0.0019","9.6353","0.0018","7.0405","0.0009","90","","93.194","0.011","90","","1003.5","0.3","100","2","100","2","","","","","","","","4","I 1 2/m 1","-I 2y","12","","","","- C12 H18 N18 O6 -","- C12 H18 N18 O6 -","- C24 H36 N36 O12 -","2","0.25","","Prior, Timothy J.; Armstrong, Jennifer A.; Benoit, David M.; Marshall, Kayleigh L.","The structure of the melamine‒cyanuric acid co-crystal","CrystEngComm","2013","15","29","5838","","10.1039/c3ce40709h","","","0.71073","MoKα","","0.0727","0.0353","","","0.0898","0.1047","","","","","","0.957","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210015","7.007","0.0014","11.224","0.002","16.95","0.003","90","","91.95","0.03","90","","1332.3","0.4","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 N3 O5 -","- C13 H15 N3 O5 -","- C52 H60 N12 O20 -","4","1","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Novel solid forms of the anti-tuberculosis drug, Isoniazid: ternary and polymorphic cocrystals","CrystEngComm","2013","15","29","5877","","10.1039/c3ce40729b","","","0.71073","MoKα","","0.0879","0.0776","","","0.1913","0.2","","","","","","1.2","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210016","6.8143","0.0014","22.419","0.005","8.8759","0.0018","90","","101.85","0.03","90","","1327.1","0.5","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H15 N3 O5 -","- C13 H15 N3 O5 -","- C52 H60 N12 O20 -","4","2","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Novel solid forms of the anti-tuberculosis drug, Isoniazid: ternary and polymorphic cocrystals","CrystEngComm","2013","15","29","5877","","10.1039/c3ce40729b","","","0.71073","MoKα","","0.0565","0.053","","","0.1358","0.1402","","","","","","1.052","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210017","7.8906","0.0016","8.703","0.0017","12.517","0.003","90","","97.84","0.03","90","","851.5","0.3","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 N6 O6 -","- C16 H18 N6 O6 -","- C32 H36 N12 O12 -","2","0.5","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Novel solid forms of the anti-tuberculosis drug, Isoniazid: ternary and polymorphic cocrystals","CrystEngComm","2013","15","29","5877","","10.1039/c3ce40729b","","","0.71073","MoKα","","0.0526","0.0502","","","0.1207","0.1229","","","","","","1.153","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210018","3.7036","0.0007","7.8401","0.0016","29.573","0.006","90","","90.63","0.03","90","","858.6","0.3","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 N6 O6 -","- C16 H18 N6 O6 -","- C32 H36 N12 O12 -","2","0.5","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Novel solid forms of the anti-tuberculosis drug, Isoniazid: ternary and polymorphic cocrystals","CrystEngComm","2013","15","29","5877","","10.1039/c3ce40729b","","","0.71073","MoKα","","0.0749","0.0671","","","0.1879","0.2067","","","","","","1.164","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210019","5.0595","0.001","17.246","0.003","19.056","0.004","90","","97.25","0.03","90","","1649.5","0.6","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H17 N5 O6 -","- C16 H17 N5 O6 -","- C64 H68 N20 O24 -","4","1","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Novel solid forms of the anti-tuberculosis drug, Isoniazid: ternary and polymorphic cocrystals","CrystEngComm","2013","15","29","5877","","10.1039/c3ce40729b","","","0.71073","MoKα","","0.0602","0.0589","","","0.1548","0.1595","","","","","","1.184","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210020","5.1175","0.001","17.467","0.004","18.763","0.004","90","","96.71","0.03","90","","1665.7","0.6","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 N5 O6 -","- C16 H19 N5 O6 -","- C64 H76 N20 O24 -","4","1","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Novel solid forms of the anti-tuberculosis drug, Isoniazid: ternary and polymorphic cocrystals","CrystEngComm","2013","15","29","5877","","10.1039/c3ce40729b","","","0.71073","MoKα","","0.0474","0.0461","","","0.1217","0.1231","","","","","","1.082","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210024","8.2221","0.0001","11.5994","0.0002","31.6633","0.0004","90","","90","","90","","3019.77","0.07","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C13 H7 Ag F7 N3 O3 -","- C13 H7 Ag F7 N3 O3 -","- C104 H56 Ag8 F56 N24 O24 -","8","1","","Eberhard, Jens; Stoll, Ion; Brockhinke, Regina; Neumann, Beate; Stammler, Hans-Georg; Riefer, Arthur; Rauls, Eva; Schmidt, Wolf Gero; Mattay, Jochen","Structural variety of 5-fluoroarene-2-aminopyrimidine in comparison to 2-aminopyrimidine silver(i) coordination polymers: progress report and overview","CrystEngComm","2013","15","21","4225","","10.1039/c2ce26388b","","","0.71073","MoKα","","0.0444","0.0286","","","0.0693","0.0743","","","","","","1.07","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210025","25.2591","0.0008","10.5671","0.0003","15.034","0.0005","90","","103.597","0.0018","90","","3900.3","0.2","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C14 H13 Ag F7 N3 O5 S -","- C14 H13 Ag F7 N3 O5 S -","- C112 H104 Ag8 F56 N24 O40 S8 -","8","1","","Eberhard, Jens; Stoll, Ion; Brockhinke, Regina; Neumann, Beate; Stammler, Hans-Georg; Riefer, Arthur; Rauls, Eva; Schmidt, Wolf Gero; Mattay, Jochen","Structural variety of 5-fluoroarene-2-aminopyrimidine in comparison to 2-aminopyrimidine silver(i) coordination polymers: progress report and overview","CrystEngComm","2013","15","21","4225","","10.1039/c2ce26388b","","","0.71073","MoKα","","0.0455","0.0342","","","0.0869","0.095","","","","","","1.061","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210026","7.3177","0.0001","12.7615","0.0001","29.9513","0.0004","90","","90","","90","","2797","0.06","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C11 H7 Ag Cl F4 N3 O5 -","- C11 H7 Ag Cl F4 N3 O5 -","- C88 H56 Ag8 Cl8 F32 N24 O40 -","8","1","","Eberhard, Jens; Stoll, Ion; Brockhinke, Regina; Neumann, Beate; Stammler, Hans-Georg; Riefer, Arthur; Rauls, Eva; Schmidt, Wolf Gero; Mattay, Jochen","Structural variety of 5-fluoroarene-2-aminopyrimidine in comparison to 2-aminopyrimidine silver(i) coordination polymers: progress report and overview","CrystEngComm","2013","15","21","4225","","10.1039/c2ce26388b","","","0.71073","MoKα","","0.0209","0.0187","","","0.0457","0.0466","","","","","","1.094","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210027","18.417","0.007","6.399","0.0008","11.262","0.004","90","","95.79","0.03","90","","1320.5","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H7 Ag F4 N4 O4 -","- C11 H7 Ag F4 N4 O4 -","- C44 H28 Ag4 F16 N16 O16 -","4","1","","Eberhard, Jens; Stoll, Ion; Brockhinke, Regina; Neumann, Beate; Stammler, Hans-Georg; Riefer, Arthur; Rauls, Eva; Schmidt, Wolf Gero; Mattay, Jochen","Structural variety of 5-fluoroarene-2-aminopyrimidine in comparison to 2-aminopyrimidine silver(i) coordination polymers: progress report and overview","CrystEngComm","2013","15","21","4225","","10.1039/c2ce26388b","","","0.71073","MoKα","","0.0285","0.0233","","","0.0567","0.0597","","","","","","1.047","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210028","7.4891","0.0019","13.333","0.002","51.316","0.008","90","","90","","90","","5124","1.7","296","2","296","2","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C12 H10 F4 N4 -","- C12 H10 F4 N4 -","- C192 H160 F64 N64 -","16","0.5","","Eberhard, Jens; Stoll, Ion; Brockhinke, Regina; Neumann, Beate; Stammler, Hans-Georg; Riefer, Arthur; Rauls, Eva; Schmidt, Wolf Gero; Mattay, Jochen","Structural variety of 5-fluoroarene-2-aminopyrimidine in comparison to 2-aminopyrimidine silver(i) coordination polymers: progress report and overview","CrystEngComm","2013","15","21","4225","","10.1039/c2ce26388b","","","0.71073","MoKα","","0.0617","0.0416","","","0.0968","0.1067","","","","","","1.109","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210029","28.875","0.008","6.4421","0.0002","20.64","0.004","90","","121.264","0.012","90","","3281.8","1.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H10 Ag F7 N4 O2 -","- C14 H10 Ag F7 N4 O2 -","- C112 H80 Ag8 F56 N32 O16 -","8","1","","Eberhard, Jens; Stoll, Ion; Brockhinke, Regina; Neumann, Beate; Stammler, Hans-Georg; Riefer, Arthur; Rauls, Eva; Schmidt, Wolf Gero; Mattay, Jochen","Structural variety of 5-fluoroarene-2-aminopyrimidine in comparison to 2-aminopyrimidine silver(i) coordination polymers: progress report and overview","CrystEngComm","2013","15","21","4225","","10.1039/c2ce26388b","","","0.71073","MoKα","","0.0613","0.0384","","","0.0794","0.0903","","","","","","1.031","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210030","13.6509","0.0005","10.3996","0.0003","15.5497","0.0006","90","","110.888","0.0019","90","","2062.42","0.13","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 Ag F7 N4 O4 S -","- C15 H16 Ag F7 N4 O4 S -","- C60 H64 Ag4 F28 N16 O16 S4 -","4","1","","Eberhard, Jens; Stoll, Ion; Brockhinke, Regina; Neumann, Beate; Stammler, Hans-Georg; Riefer, Arthur; Rauls, Eva; Schmidt, Wolf Gero; Mattay, Jochen","Structural variety of 5-fluoroarene-2-aminopyrimidine in comparison to 2-aminopyrimidine silver(i) coordination polymers: progress report and overview","CrystEngComm","2013","15","21","4225","","10.1039/c2ce26388b","","","0.71073","MoKα","","0.0501","0.0317","","","0.0715","0.0774","","","","","","1.013","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210031","6.4222","0.0001","16.1283","0.0003","14.7568","0.0003","90","","101.449","0.0013","90","","1498.08","0.05","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Ag Cl F4 N4 O4 -","- C12 H10 Ag Cl F4 N4 O4 -","- C48 H40 Ag4 Cl4 F16 N16 O16 -","4","1","","Eberhard, Jens; Stoll, Ion; Brockhinke, Regina; Neumann, Beate; Stammler, Hans-Georg; Riefer, Arthur; Rauls, Eva; Schmidt, Wolf Gero; Mattay, Jochen","Structural variety of 5-fluoroarene-2-aminopyrimidine in comparison to 2-aminopyrimidine silver(i) coordination polymers: progress report and overview","CrystEngComm","2013","15","21","4225","","10.1039/c2ce26388b","","","0.71073","MoKα","","0.0505","0.0315","","","0.0667","0.0718","","","","","","1.018","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210032","6.3287","0.0001","25.1946","0.0008","9.113","0.0003","90","","100.591","0.0017","90","","1428.3","0.07","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Ag F4 N5 O3 -","- C12 H10 Ag F4 N5 O3 -","- C48 H40 Ag4 F16 N20 O12 -","4","1","","Eberhard, Jens; Stoll, Ion; Brockhinke, Regina; Neumann, Beate; Stammler, Hans-Georg; Riefer, Arthur; Rauls, Eva; Schmidt, Wolf Gero; Mattay, Jochen","Structural variety of 5-fluoroarene-2-aminopyrimidine in comparison to 2-aminopyrimidine silver(i) coordination polymers: progress report and overview","CrystEngComm","2013","15","21","4225","","10.1039/c2ce26388b","","","0.71073","MoKα","","0.0389","0.0267","","","0.0564","0.0597","","","","","","1.086","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210033","7.8308","0.0003","31.6394","0.0014","12.6258","0.0005","90","","102.043","0.003","90","","3059.3","0.2","220","2","220","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Ag F4 N5 O3 -","- C12 H10 Ag F4 N5 O3 -","- C96 H80 Ag8 F32 N40 O24 -","8","1","","Eberhard, Jens; Stoll, Ion; Brockhinke, Regina; Neumann, Beate; Stammler, Hans-Georg; Riefer, Arthur; Rauls, Eva; Schmidt, Wolf Gero; Mattay, Jochen","Structural variety of 5-fluoroarene-2-aminopyrimidine in comparison to 2-aminopyrimidine silver(i) coordination polymers: progress report and overview","CrystEngComm","2013","15","21","4225","","10.1039/c2ce26388b","","","0.71073","MoKα","","0.0613","0.0336","","","0.0792","0.0876","","","","","","0.992","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210034","12.643","0.003","6.0744","0.0016","31.164","0.009","90","","101.399","0.005","90","","2346.1","1.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H24 F N O4 -","- C29 H24 F N O4 -","- C116 H96 F4 N4 O16 -","4","1","","Kobayashi, Yuhei; Sato, Tomohiro; Tanaka, Yuki; Harada, Takunori; Kuroda, Reiko; Imai, Yoshitane","Control of variable composition structures by fluorine substituent in supramolecular organic fluorophore composed of 2-naphthalenecarboxylic acid","CrystEngComm","2013","15","23","4624","","10.1039/c2ce26795k","","","0.71075","MoKα","","0.0687","0.0411","","","0.0985","0.1136","","","","","","1.017","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210035","10.01","0.002","6.179","0.0013","12.767","0.003","90","","107.203","0.003","90","","754.3","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H16 F N O2 -","- C18 H16 F N O2 -","- C36 H32 F2 N2 O4 -","2","1","","Kobayashi, Yuhei; Sato, Tomohiro; Tanaka, Yuki; Harada, Takunori; Kuroda, Reiko; Imai, Yoshitane","Control of variable composition structures by fluorine substituent in supramolecular organic fluorophore composed of 2-naphthalenecarboxylic acid","CrystEngComm","2013","15","23","4624","","10.1039/c2ce26795k","","","0.71075","MoKα","","0.0388","0.0374","","","0.0915","0.0927","","","","","","1.059","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210036","12.742","0.003","6.0989","0.0013","30.926","0.007","90","","101.313","0.003","90","","2356.6","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H24 F N O4 -","- C29 H24 F N O4 -","- C116 H96 F4 N4 O16 -","4","1","","Kobayashi, Yuhei; Sato, Tomohiro; Tanaka, Yuki; Harada, Takunori; Kuroda, Reiko; Imai, Yoshitane","Control of variable composition structures by fluorine substituent in supramolecular organic fluorophore composed of 2-naphthalenecarboxylic acid","CrystEngComm","2013","15","23","4624","","10.1039/c2ce26795k","","","0.71075","MoKα","","0.0558","0.0479","","","0.1341","0.1409","","","","","","1.09","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210037","6.3741","0.0012","8.417","0.0015","27.401","0.005","90","","90","","90","","1470.1","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 F N O2 -","- C18 H16 F N O2 -","- C72 H64 F4 N4 O8 -","4","1","","Kobayashi, Yuhei; Sato, Tomohiro; Tanaka, Yuki; Harada, Takunori; Kuroda, Reiko; Imai, Yoshitane","Control of variable composition structures by fluorine substituent in supramolecular organic fluorophore composed of 2-naphthalenecarboxylic acid","CrystEngComm","2013","15","23","4624","","10.1039/c2ce26795k","","","0.71075","MoKα","","0.0438","0.0407","","","0.1081","0.1101","","","","","","1.082","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210038","13.5941","0.0012","14.3621","0.0012","14.2561","0.0012","90","","96.141","0.002","90","","2767.4","0.4","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","Bpene","","","- C24 H25 N7 Ni2 O3 S -","- C21 H18.5 N6.5 Ni2 O2.99 S -","- C84 H74 N26 Ni8 O11.96 S4 -","4","1","","Wong-Ng, W.; Culp, J. T.; Chen, Y. S.; Zavalij, P.; Espinal, L.; Siderius, D. W.; Allen, A. J.; Scheins, S.; Matranga, C.","Improved synthesis and crystal structure of the flexible pillared layer porous coordination polymer: Ni(1,2-bis(4-pyridyl)ethylene)[Ni(CN)4]","CrystEngComm","2013","15","23","4684","","10.1039/c3ce00017f","","","0.41328","","","0.1485","0.0448","","","0.0951","0.1064","","","","","","0.928","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210039","10.2891","0.0012","28.065","0.003","7.9247","0.0009","90","","90.885","0.002","90","","2288.1","0.4","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Aripiprazole hydrochloride salt","Aripiprazole hydrochloride salt","","- C23 H28 Cl3 N3 O2 -","- C23 H28 Cl3 N3 O2 -","- C92 H112 Cl12 N12 O8 -","4","1","","Nanubolu, Jagadeesh Babu; Sridhar, Balasubramanian; Ravikumar, Krishnan; Cherukuvada, Suryanarayan","Adaptability of aripiprazole towards forming isostructural hydrogen bonding networks in multi-component salts: a rare case of strong O‒H⋯O− ↔ weak C‒H⋯O mimicry","CrystEngComm","2013","15","21","4321","","10.1039/c3ce00022b","","","0.71073","MoKα","","0.0756","0.0627","","","0.142","0.1504","","","","","","1.101","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210040","14.9688","0.001","9.9536","0.0006","20.9154","0.0014","90","","108.004","0.001","90","","2963.7","0.3","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Aripiprazole benzoate monohydrate","Aripiprazole benzoate monohydrate","","- C30 H35 Cl2 N3 O5 -","- C30 H35 Cl2 N3 O5 -","- C120 H140 Cl8 N12 O20 -","4","1","","Nanubolu, Jagadeesh Babu; Sridhar, Balasubramanian; Ravikumar, Krishnan; Cherukuvada, Suryanarayan","Adaptability of aripiprazole towards forming isostructural hydrogen bonding networks in multi-component salts: a rare case of strong O‒H⋯O− ↔ weak C‒H⋯O mimicry","CrystEngComm","2013","15","21","4321","","10.1039/c3ce00022b","","","0.71073","MoKα","","0.0433","0.0372","","","0.1015","0.1079","","","","","","1.031","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210041","15.1552","0.0008","9.5732","0.0005","21.5283","0.0011","90","","103.887","0.001","90","","3032.1","0.3","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Aripiprazole-2,4-dihydoxybenzoate","Aripiprazole-2,4-dihydoxybenzoate","","- C30 H33 Cl2 N3 O6 -","- C30 H33 Cl2 N3 O6 -","- C120 H132 Cl8 N12 O24 -","4","1","","Nanubolu, Jagadeesh Babu; Sridhar, Balasubramanian; Ravikumar, Krishnan; Cherukuvada, Suryanarayan","Adaptability of aripiprazole towards forming isostructural hydrogen bonding networks in multi-component salts: a rare case of strong O‒H⋯O− ↔ weak C‒H⋯O mimicry","CrystEngComm","2013","15","21","4321","","10.1039/c3ce00022b","","","0.71073","MoKα","","0.0581","0.0524","","","0.1613","0.1682","","","","","","1.053","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210042","30.4165","0.0019","9.7801","0.0006","20.5636","0.0013","90","","105.319","0.001","90","","5899.8","0.6","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Aripiprazole-2,5-dihydroxybenzoate hemihydrate","Aripiprazole-2,5-dihydroxybenzoate hemihydrate","","- C30 H34 Cl2 N3 O6.5 -","- C30 H34 Cl2 N3 O6.5 -","- C240 H272 Cl16 N24 O52 -","8","2","","Nanubolu, Jagadeesh Babu; Sridhar, Balasubramanian; Ravikumar, Krishnan; Cherukuvada, Suryanarayan","Adaptability of aripiprazole towards forming isostructural hydrogen bonding networks in multi-component salts: a rare case of strong O‒H⋯O− ↔ weak C‒H⋯O mimicry","CrystEngComm","2013","15","21","4321","","10.1039/c3ce00022b","","","0.71073","MoKα","","0.075","0.06","","","0.1514","0.1651","","","","","","1.056","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210043","14.4399","0.0008","14.5184","0.0008","15.3895","0.001","97.541","0.005","112.786","0.006","107.054","0.005","2731.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H30 Cu4 N20 O31 -","- C40 H26 Cu4 N20 O31 -","- C80 H52 Cu8 N40 O62 -","2","1","","Yang, Yan; Du, Peng; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang","A series of Cu(ii) and Cd(ii) coordination polymers constructed by 3,5-dinitrosalicylic acid and flexible bis(triazole) ligands containing different spacers","CrystEngComm","2013","15","21","4357","","10.1039/c3ce00034f","","","0.71073","MoKα","","0.0552","0.0322","","","0.0687","0.0714","","","","","","0.862","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7210044","15.7724","0.0003","21.0412","0.0005","16.7687","0.0005","90","","96.915","0.002","90","","5524.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H30 Cu4 N20 O29 -","- C42 H28 Cu4 N20 O29 -","- C168 H112 Cu16 N80 O116 -","4","1","","Yang, Yan; Du, Peng; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang","A series of Cu(ii) and Cd(ii) coordination polymers constructed by 3,5-dinitrosalicylic acid and flexible bis(triazole) ligands containing different spacers","CrystEngComm","2013","15","21","4357","","10.1039/c3ce00034f","","","0.71073","MoKα","","0.0933","0.0425","","","0.0591","0.0618","","","","","","1.011","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210045","16.836","0.0004","21.2727","0.0004","15.8167","0.0004","90","","90","","90","","5664.7","0.2","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C22 H18 Cu2 N10 O15 -","- C22 H18 Cu2 N10 O15 -","- C176 H144 Cu16 N80 O120 -","8","1","","Yang, Yan; Du, Peng; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang","A series of Cu(ii) and Cd(ii) coordination polymers constructed by 3,5-dinitrosalicylic acid and flexible bis(triazole) ligands containing different spacers","CrystEngComm","2013","15","21","4357","","10.1039/c3ce00034f","","","0.71073","MoKα","","0.0569","0.0298","","","0.0593","0.0623","","","","","","0.823","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210046","16.2118","0.0004","16.2381","0.0003","22.4507","0.0005","90","","90","","90","","5910.1","0.2","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C23 H20 Cu2 N10 O15 -","- C23 H20 Cu2 N10 O15 -","- C184 H160 Cu16 N80 O120 -","8","1","","Yang, Yan; Du, Peng; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang","A series of Cu(ii) and Cd(ii) coordination polymers constructed by 3,5-dinitrosalicylic acid and flexible bis(triazole) ligands containing different spacers","CrystEngComm","2013","15","21","4357","","10.1039/c3ce00034f","","","0.71073","MoKα","","0.0668","0.0338","","","0.0533","0.055","","","","","","0.989","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210047","23.5968","0.0008","20.9087","0.001","14.5568","0.0004","90","","98.621","0.003","90","","7100.9","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H46 Cu5 N20 O34 -","- C46 H40 Cu5 N20 O34.04 -","- C184 H160 Cu20 N80 O136.16 -","4","0.5","","Yang, Yan; Du, Peng; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang","A series of Cu(ii) and Cd(ii) coordination polymers constructed by 3,5-dinitrosalicylic acid and flexible bis(triazole) ligands containing different spacers","CrystEngComm","2013","15","21","4357","","10.1039/c3ce00034f","","","0.71073","MoKα","","0.09","0.0552","","","0.1438","0.1678","","","","","","1.021","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210048","14.3577","0.0003","14.3577","0.0003","41.3854","0.0019","90","","90","","90","","8531.3","0.5","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C17 H18 Cu N8 O7 -","- C17 H10 Cu N8 O7 -","- C272 H160 Cu16 N128 O112 -","16","1","","Yang, Yan; Du, Peng; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang","A series of Cu(ii) and Cd(ii) coordination polymers constructed by 3,5-dinitrosalicylic acid and flexible bis(triazole) ligands containing different spacers","CrystEngComm","2013","15","21","4357","","10.1039/c3ce00034f","","","0.71073","MoKα","","0.1146","0.0885","","","0.1858","0.1996","","","","","","1.137","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210049","13.9645","0.0001","13.9645","0.0001","35.2304","0.0005","90","","90","","90","","6870.18","0.12","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C28 H28 Cu2 N10 O14 -","- C28 H28 Cu2 N10 O14 -","- C224 H224 Cu16 N80 O112 -","8","0.5","","Yang, Yan; Du, Peng; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang","A series of Cu(ii) and Cd(ii) coordination polymers constructed by 3,5-dinitrosalicylic acid and flexible bis(triazole) ligands containing different spacers","CrystEngComm","2013","15","21","4357","","10.1039/c3ce00034f","","","1.54184","CuKα","","0.073","0.0603","","","0.1571","0.1712","","","","","","0.981","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210050","5.0173","0.0002","19.7139","0.0007","21.1911","0.0007","90","","90.675","0.003","90","","2095.88","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 Cu N8 O7.5 -","- C19 H14 Cu N8 O7.5 -","- C76 H56 Cu4 N32 O30 -","4","1","","Yang, Yan; Du, Peng; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang","A series of Cu(ii) and Cd(ii) coordination polymers constructed by 3,5-dinitrosalicylic acid and flexible bis(triazole) ligands containing different spacers","CrystEngComm","2013","15","21","4357","","10.1039/c3ce00034f","","","0.71073","MoKα","","0.0583","0.0403","","","0.0831","0.0896","","","","","","1.061","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210051","4.8279","0.0002","10.5174","0.0004","13.4622","0.0004","103.093","0.003","98.068","0.003","92.034","0.003","657.6","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H16 Cd2 N10 O16 -","- C20 H16 Cd2 N10 O16 -","- C20 H16 Cd2 N10 O16 -","1","0.5","","Yang, Yan; Du, Peng; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang","A series of Cu(ii) and Cd(ii) coordination polymers constructed by 3,5-dinitrosalicylic acid and flexible bis(triazole) ligands containing different spacers","CrystEngComm","2013","15","21","4357","","10.1039/c3ce00034f","","","0.71073","MoKα","","0.0178","0.0166","","","0.0403","0.0405","","","","","","1.04","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210052","11.9076","0.0004","11.9605","0.0004","12.866","0.0004","93.78","0.003","90.696","0.003","110.675","0.003","1709.42","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H76 Cd2 N22 O14 -","- C56 H73.036 Cd2 N22 O14 -","- C56 H73.036 Cd2 N22 O14 -","1","0.5","","Yang, Yan; Du, Peng; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang","A series of Cu(ii) and Cd(ii) coordination polymers constructed by 3,5-dinitrosalicylic acid and flexible bis(triazole) ligands containing different spacers","CrystEngComm","2013","15","21","4357","","10.1039/c3ce00034f","","","0.71073","MoKα","","0.0498","0.0349","","","0.0747","0.0771","","","","","","0.92","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7210053","13.616","0.0002","13.616","0.0002","42.9496","0.0015","90","","90","","90","","7962.7","0.3","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C60 H56 Cd4 N32 O32 -","- C60 H56 Cd4 N32 O32 -","- C240 H224 Cd16 N128 O128 -","4","0.25","","Yang, Yan; Du, Peng; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang","A series of Cu(ii) and Cd(ii) coordination polymers constructed by 3,5-dinitrosalicylic acid and flexible bis(triazole) ligands containing different spacers","CrystEngComm","2013","15","21","4357","","10.1039/c3ce00034f","","","0.71073","MoKα","","0.0731","0.0567","","","0.1425","0.1475","","","","","","0.955","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210054","8.9442","0.0018","9.2624","0.0019","16.481","0.003","94.62","0.03","97.63","0.03","104.75","0.03","1299.3","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H64 Cl2 Co4 O57 Ru4 -","- C8 H64 Cl2 Co4 O57 Ru4 -","- C8 H64 Cl2 Co4 O57 Ru4 -","1","0.5","","Liu, Bin; Jia, Yan-Yan; Jin, Jin; Liu, Xue-Mei; Xue, Gang-Lin","Layer structural bimetallic metamagnets obtained from the aggregation of Ru2(CO3)43− and Co2+ in existence of halogen","CrystEngComm","2013","15","21","4280","","10.1039/c3ce00071k","","","0.71073","MoKα","","0.0773","0.0691","","","0.1807","0.1866","","","","","","1.119","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210055","15.064","0.003","16.143","0.003","10.759","0.002","90","","100.26","0.03","90","","2574.5","0.9","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C16 H72 Br4 Co8 O106 Ru8 -","- C16 H72 Br4 Co8 O106 Ru8 -","- C16 H72 Br4 Co8 O106 Ru8 -","1","0.125","","Liu, Bin; Jia, Yan-Yan; Jin, Jin; Liu, Xue-Mei; Xue, Gang-Lin","Layer structural bimetallic metamagnets obtained from the aggregation of Ru2(CO3)43− and Co2+ in existence of halogen","CrystEngComm","2013","15","21","4280","","10.1039/c3ce00071k","","","0.71073","MoKα","","0.0696","0.0513","","","0.1145","0.1227","","","","","","1.083","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210056","14.1443","0.0015","14.3491","0.0015","15.0776","0.0016","109.334","0.005","105.904","0.005","99.933","0.005","2657.6","0.5","210","2","210","2","","","","","","","","5","P 1","P 1","1","","","","- C58 H32 F8 I4 N4 -","- C58 H32 F8 I4 N4 -","- C116 H64 F16 I8 N8 -","2","2","","Pigge, F. Christopher; Kapadia, Pradeep P.; Swenson, Dale C.","Halogen bonded networks from pyridyl-substituted tetraarylethylenes and diiodotetrafluorobenzenes","CrystEngComm","2013","15","21","4386","","10.1039/c3ce26732f","","","0.71073","MoKα","","0.1804","0.0874","","","0.1678","0.2062","","","","","","1.047","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7210057","14.4076","0.0015","16.0078","0.0017","22.228","0.003","90","","93.266","0.005","90","","5118.2","1","210","2","210","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H32 F8 I4 N4 -","- C58 H32 F8 I4 N4 -","- C232 H128 F32 I16 N16 -","4","1","","Pigge, F. Christopher; Kapadia, Pradeep P.; Swenson, Dale C.","Halogen bonded networks from pyridyl-substituted tetraarylethylenes and diiodotetrafluorobenzenes","CrystEngComm","2013","15","21","4386","","10.1039/c3ce26732f","","","0.71073","MoKα","","0.0512","0.0341","","","0.0708","0.0779","","","","","","1.044","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7210058","13.137","0.0014","9.4089","0.001","34.762","0.004","90","","91.436","0.005","90","","4295.4","0.8","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H32 F4 I2 N4 -","- C52 H32 F4 I2 N4 -","- C208 H128 F16 I8 N16 -","4","1","","Pigge, F. Christopher; Kapadia, Pradeep P.; Swenson, Dale C.","Halogen bonded networks from pyridyl-substituted tetraarylethylenes and diiodotetrafluorobenzenes","CrystEngComm","2013","15","21","4386","","10.1039/c3ce26732f","","","0.71073","MoKα","","0.0551","0.0431","","","0.1141","0.1236","","","","","","1.057","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210059","14.8991","0.0011","16.8272","0.0012","22.2685","0.0017","73.868","0.004","74.7","0.004","66.883","0.003","4856.2","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H147 Mn Mo6 N10 O26 -","- C72 H147 Mn Mo6 N9.65 O26 -","- C144 H294 Mn2 Mo12 N19.3 O52 -","2","1","","Hutin, Marie; Yvon, Carine; Yan, Jun; Macdonell, Andrew; Long, De-Liang; Cronin, Leroy","Programming the assembly of carboxylic acid-functionalised hybrid polyoxometalates","CrystEngComm","2013","15","22","4422","","10.1039/c3ce26816k","","","0.71073","MoKα","","0.0385","0.0287","","","0.0677","0.075","","","","","","1.046","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210060","18.0293","0.0007","20.8575","0.0008","26.7597","0.0011","90","","90","","90","","10062.9","0.7","150","2","150","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C79 H153 Mn Mo6 N8 O29 -","- C69.3 H128.5 Mn Mo6 N7.1 O28.4 -","- C277.2 H514 Mn4 Mo24 N28.4 O113.6 -","4","1","","Hutin, Marie; Yvon, Carine; Yan, Jun; Macdonell, Andrew; Long, De-Liang; Cronin, Leroy","Programming the assembly of carboxylic acid-functionalised hybrid polyoxometalates","CrystEngComm","2013","15","22","4422","","10.1039/c3ce26816k","","","0.71073","MoKα","","0.1592","0.0823","","","0.1817","0.2247","","","","","","1.056","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210061","28.3641","0.0005","23.7876","0.0005","15.0216","0.0003","90","","90","","90","","10135.3","0.3","150","2","150","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C68 H138 Mn Mo6 N7 O30 -","- C68 H136 Mn Mo6 N7 O30 -","- C272 H544 Mn4 Mo24 N28 O120 -","4","0.5","","Hutin, Marie; Yvon, Carine; Yan, Jun; Macdonell, Andrew; Long, De-Liang; Cronin, Leroy","Programming the assembly of carboxylic acid-functionalised hybrid polyoxometalates","CrystEngComm","2013","15","22","4422","","10.1039/c3ce26816k","","","0.71073","MoKα","","0.0673","0.0482","","","0.1211","0.1302","","","","","","1.065","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210062","14.9246","0.0008","17.3492","0.001","20.5931","0.0011","77.925","0.004","78.223","0.003","74.076","0.003","4952.7","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H151 Mn Mo6 N10 O30 -","- C76 H133 Mn Mo6 N10 O30 -","- C152 H266 Mn2 Mo12 N20 O60 -","2","1","","Hutin, Marie; Yvon, Carine; Yan, Jun; Macdonell, Andrew; Long, De-Liang; Cronin, Leroy","Programming the assembly of carboxylic acid-functionalised hybrid polyoxometalates","CrystEngComm","2013","15","22","4422","","10.1039/c3ce26816k","","","0.71073","MoKα","","0.1347","0.0831","","","0.1661","0.1891","","","","","","1.095","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210063","17.8569","0.0002","27.1013","0.0003","21.2905","0.0002","90","","90.111","0.001","90","","10303.4","0.19","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C77 H161 Mn Mo6 N8 O33 -","- C75.2 H156.6 Mn Mo6 N7.5 O32.5 -","- C300.8 H626.4 Mn4 Mo24 N30 O130 -","4","1","","Hutin, Marie; Yvon, Carine; Yan, Jun; Macdonell, Andrew; Long, De-Liang; Cronin, Leroy","Programming the assembly of carboxylic acid-functionalised hybrid polyoxometalates","CrystEngComm","2013","15","22","4422","","10.1039/c3ce26816k","","","0.71073","MoKα","","0.0553","0.0375","","","0.0891","0.0998","","","","","","1.037","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210064","17.24","0.0006","27.204","0.0011","20.4735","0.0008","90","","91.794","0.002","90","","9597.3","0.6","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C72 H146 Mn Mo6 N7 O30 -","- C72 H146 Mn Mo6 N7 O30 -","- C288 H584 Mn4 Mo24 N28 O120 -","4","1","","Hutin, Marie; Yvon, Carine; Yan, Jun; Macdonell, Andrew; Long, De-Liang; Cronin, Leroy","Programming the assembly of carboxylic acid-functionalised hybrid polyoxometalates","CrystEngComm","2013","15","22","4422","","10.1039/c3ce26816k","","","0.71073","MoKα","","0.127","0.0551","","","0.0985","0.1263","","","","","","1.006","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210065","23.8498","0.0006","14.573","0.0003","15.4775","0.0004","90","","90","","90","","5379.4","0.2","150","2","150","2","","","","","","","","6","P m n a","-P 2ac 2","53","","","","- C78 H146 Mn Mo6 N7 O32 -","- C57 H14 Mn Mo6 N6.6 O32 -","- C114 H28 Mn2 Mo12 N13.2 O64 -","2","0.25","","Hutin, Marie; Yvon, Carine; Yan, Jun; Macdonell, Andrew; Long, De-Liang; Cronin, Leroy","Programming the assembly of carboxylic acid-functionalised hybrid polyoxometalates","CrystEngComm","2013","15","22","4422","","10.1039/c3ce26816k","","","0.71073","MoKα","","0.0812","0.0672","","","0.2065","0.2248","","","","","","1.086","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210066","23.5808","0.0003","24.7645","0.0003","29.9716","0.0004","100.967","0.002","103.918","0.002","93.897","0.002","16559.1","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C143 H219 Mn Mo6 N10 O37 -","- C138.5 H201.1 Mn Mo6 N8.6 O36.65 -","- C554 H804.4 Mn4 Mo24 N34.4 O146.6 -","4","2","","Hutin, Marie; Yvon, Carine; Yan, Jun; Macdonell, Andrew; Long, De-Liang; Cronin, Leroy","Programming the assembly of carboxylic acid-functionalised hybrid polyoxometalates","CrystEngComm","2013","15","22","4422","","10.1039/c3ce26816k","","","0.71073","MoKα","","0.1114","0.0497","","","0.1622","0.1866","","","","","","0.986","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210067","7.1512","0.00005","7.1512","0.00005","11.963","0.00011","90","","90","","120","","529.82","0.007","120","0.1","120","0.1","","","","","","","","4","P 63 m c","P 6c -2c","186","guanidinium iodide","","","- C H6 I N3 -","- C H6 I N3 -","- C4 H24 I4 N12 -","4","0.333333","","Szafrański, Marek; Jarek, Marcin","Origin of spontaneous polarization and reconstructive phase transition in guanidinium iodide","CrystEngComm","2013","15","23","4617","","10.1039/c3ce26979e","","","0.71073","MoKα","","0.0118","0.0111","","","0.0282","0.0283","","","","","","1.418","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210068","7.1641","0.00017","7.1641","0.00017","12.0317","0.0003","90","","90","","120","","534.79","0.02","150","0.1","150","0.1","","","","","","","","4","P 63 m c","P 6c -2c","186","guanidinium iodide","","","- C H6 I N3 -","- C H6 I N3 -","- C4 H24 I4 N12 -","4","0.333333","","Szafrański, Marek; Jarek, Marcin","Origin of spontaneous polarization and reconstructive phase transition in guanidinium iodide","CrystEngComm","2013","15","23","4617","","10.1039/c3ce26979e","","","0.71073","MoKα","","0.0212","0.0198","","","0.0516","0.0523","","","","","","1.205","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210069","7.17619","0.00014","7.17619","0.00014","12.1229","0.0003","90","","90","","120","","540.66","0.02","200","0.1","200","0.1","","","","","","","","4","P 63 m c","P 6c -2c","186","guanidinium iodide","","","- C H6 I N3 -","- C H6 I N3 -","- C4 H24 I4 N12 -","4","0.333333","","Szafrański, Marek; Jarek, Marcin","Origin of spontaneous polarization and reconstructive phase transition in guanidinium iodide","CrystEngComm","2013","15","23","4617","","10.1039/c3ce26979e","","","0.71073","MoKα","","0.0186","0.0167","","","0.0441","0.0447","","","","","","1.259","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210070","7.18791","0.00013","7.18791","0.00013","12.229","0.0003","90","","90","","120","","547.176","0.019","250","0.1","250","0.1","","","","","","","","4","P 63 m c","P 6c -2c","186","guanidinium iodide","","","- C H6 I N3 -","- C H6 I N3 -","- C4 H24 I4 N12 -","4","0.333333","","Szafrański, Marek; Jarek, Marcin","Origin of spontaneous polarization and reconstructive phase transition in guanidinium iodide","CrystEngComm","2013","15","23","4617","","10.1039/c3ce26979e","","","0.71073","MoKα","","0.0185","0.0155","","","0.0395","0.0404","","","","","","1.257","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210071","7.19508","0.00011","7.19508","0.00011","12.2986","0.0003","90","","90","","120","","551.388","0.018","280","0.1","280","0.1","","","","","","","","4","P 63 m c","P 6c -2c","186","guanidinium iodide","","","- C H6 I N3 -","- C H6 I N3 -","- C4 H24 I4 N12 -","4","0.333333","","Szafrański, Marek; Jarek, Marcin","Origin of spontaneous polarization and reconstructive phase transition in guanidinium iodide","CrystEngComm","2013","15","23","4617","","10.1039/c3ce26979e","","","0.71073","MoKα","","0.0192","0.0161","","","0.0421","0.043","","","","","","1.195","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210072","7.20163","0.00011","7.20163","0.00011","12.3501","0.0003","90","","90","","120","","554.706","0.018","300","0.1","300","0.1","","","","","","","","4","P 63 m c","P 6c -2c","186","guanidinium iodide","","","- C H6 I N3 -","- C H6 I N3 -","- C4 H24 I4 N12 -","4","0.333333","","Szafrański, Marek; Jarek, Marcin","Origin of spontaneous polarization and reconstructive phase transition in guanidinium iodide","CrystEngComm","2013","15","23","4617","","10.1039/c3ce26979e","","","0.71073","MoKα","","0.0203","0.0169","","","0.0407","0.0416","","","","","","1.186","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210073","7.20634","0.00014","7.20634","0.00014","12.402","0.0004","90","","90","","120","","557.77","0.02","320","0.1","320","0.1","","","","","","","","4","P 63 m c","P 6c -2c","186","guanidinium iodide","","","- C H6 I N3 -","- C H6 I N3 -","- C4 H24 I4 N12 -","4","0.333333","","Szafrański, Marek; Jarek, Marcin","Origin of spontaneous polarization and reconstructive phase transition in guanidinium iodide","CrystEngComm","2013","15","23","4617","","10.1039/c3ce26979e","","","0.71073","MoKα","","0.0228","0.0187","","","0.0431","0.0443","","","","","","1.219","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210074","7.21109","0.00019","7.21109","0.00019","12.461","0.0005","90","","90","","120","","561.16","0.03","340","0.1","340","0.1","","","","","","","","4","P 63 m c","P 6c -2c","186","guanidinium iodide","","","- C H6 I N3 -","- C H6 I N3 -","- C4 H24 I4 N12 -","4","0.333333","","Szafrański, Marek; Jarek, Marcin","Origin of spontaneous polarization and reconstructive phase transition in guanidinium iodide","CrystEngComm","2013","15","23","4617","","10.1039/c3ce26979e","","","0.71073","MoKα","","0.0254","0.0206","","","0.0479","0.0493","","","","","","1.183","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210075","5.23783","0.00009","7.54922","0.00014","6.98292","0.00013","90","","96.7315","0.0017","90","","274.212","0.009","360","0.1","360","0.1","","","","","","","","4","P 1 21/m 1","-P 2yb","11","guanidinium iodide","","","- C H6 I N3 -","- C H6 I N3 -","- C2 H12 I2 N6 -","2","0.5","","Szafrański, Marek; Jarek, Marcin","Origin of spontaneous polarization and reconstructive phase transition in guanidinium iodide","CrystEngComm","2013","15","23","4617","","10.1039/c3ce26979e","","","0.71073","MoKα","","0.0259","0.0232","","","0.0563","0.0583","","","","","","1.089","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210076","9.189","0.003","16.271","0.006","19.01","0.007","114.021","0.005","98.024","0.005","94.551","0.006","2541.4","1.6","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H54 N10 O12 S4 -","- C46 H54 N10 O12 S4 -","- C92 H108 N20 O24 S8 -","2","1","","Wang, Jiamin; Li, Shaoguang; Yang, Peiju; Huang, Xiaojuan; Yang, Xiao-Juan; Wu, Biao","From anion complexes to anion coordination polymers (ACPs): assembly with a 1,5-naphthylene bridged bis-bisurea ligand","CrystEngComm","2013","15","22","4540","","10.1039/c3ce26982e","","","0.71073","MoKα","","0.1457","0.0892","","","0.1754","0.1987","","","","","","1.128","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210077","12.501","0.006","19.167","0.009","16.971","0.006","90","","120.12","0.02","90","","3517","3","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70 H102 N12 O12 S -","- C70 H102 N12 O12 S -","- C140 H204 N24 O24 S2 -","2","0.5","","Wang, Jiamin; Li, Shaoguang; Yang, Peiju; Huang, Xiaojuan; Yang, Xiao-Juan; Wu, Biao","From anion complexes to anion coordination polymers (ACPs): assembly with a 1,5-naphthylene bridged bis-bisurea ligand","CrystEngComm","2013","15","22","4540","","10.1039/c3ce26982e","","","0.71073","MoKα","","0.1885","0.1266","","","0.2498","0.2759","","","","","","1.196","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210078","9.538","0.012","13.957","0.017","22","0.03","94.69","0.015","100.617","0.017","99.018","0.016","2824","6","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C102 H174 N14 O16 S2 -","- C102 H174 N14 O16 S2 -","- C102 H174 N14 O16 S2 -","1","0.5","","Wang, Jiamin; Li, Shaoguang; Yang, Peiju; Huang, Xiaojuan; Yang, Xiao-Juan; Wu, Biao","From anion complexes to anion coordination polymers (ACPs): assembly with a 1,5-naphthylene bridged bis-bisurea ligand","CrystEngComm","2013","15","22","4540","","10.1039/c3ce26982e","","","0.71073","MoKα","","0.1487","0.079","","","0.1506","0.1768","","","","","","1.122","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210079","27.889","0.004","16.427","0.002","24.753","0.003","90","","98.54","0.002","90","","11214","3","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C102 H174 N14 O16 S2 -","- C102 H174 N14 O16 S2 -","- C408 H696 N56 O64 S8 -","4","0.5","","Wang, Jiamin; Li, Shaoguang; Yang, Peiju; Huang, Xiaojuan; Yang, Xiao-Juan; Wu, Biao","From anion complexes to anion coordination polymers (ACPs): assembly with a 1,5-naphthylene bridged bis-bisurea ligand","CrystEngComm","2013","15","22","4540","","10.1039/c3ce26982e","","","0.71073","MoKα","","0.1931","0.104","","","0.1741","0.199","","","","","","1.002","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210080","12.43","0.005","14.615","0.006","21.187","0.009","90","","97.784","0.006","90","","3813","3","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C74 H108 N12 O12 -","- C74 H98 N12 O12 -","- C148 H196 N24 O24 -","2","0.5","","Wang, Jiamin; Li, Shaoguang; Yang, Peiju; Huang, Xiaojuan; Yang, Xiao-Juan; Wu, Biao","From anion complexes to anion coordination polymers (ACPs): assembly with a 1,5-naphthylene bridged bis-bisurea ligand","CrystEngComm","2013","15","22","4540","","10.1039/c3ce26982e","","","0.71073","MoKα","","0.1552","0.0827","","","0.165","0.1952","","","","","","1.044","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210081","8.627","0.003","35.844","0.011","13.66","0.004","90","","102.017","0.004","90","","4131","2","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C84 H112 N12 O12 -","- C84 H112 N12 O12 -","- C168 H224 N24 O24 -","2","0.5","","Wang, Jiamin; Li, Shaoguang; Yang, Peiju; Huang, Xiaojuan; Yang, Xiao-Juan; Wu, Biao","From anion complexes to anion coordination polymers (ACPs): assembly with a 1,5-naphthylene bridged bis-bisurea ligand","CrystEngComm","2013","15","22","4540","","10.1039/c3ce26982e","","","0.71073","MoKα","","0.1293","0.0837","","","0.1944","0.2225","","","","","","1.063","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210082","23.764","0.005","17.225","0.004","20.791","0.005","90","","113.214","0.003","90","","7821","3","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C78 H106 N12 O12 -","- C78 H106 N12 O12 -","- C312 H424 N48 O48 -","4","1","","Wang, Jiamin; Li, Shaoguang; Yang, Peiju; Huang, Xiaojuan; Yang, Xiao-Juan; Wu, Biao","From anion complexes to anion coordination polymers (ACPs): assembly with a 1,5-naphthylene bridged bis-bisurea ligand","CrystEngComm","2013","15","22","4540","","10.1039/c3ce26982e","","","0.71073","MoKα","","0.2458","0.1378","","","0.1693","0.1925","","","","","","1.172","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210083","41.951","0.007","8.8842","0.0015","19.048","0.003","90","","99.546","0.002","90","","7001","2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C70 H102 Cl2 N12 O8 -","- C70 H102 Cl2 N12 O8 -","- C280 H408 Cl8 N48 O32 -","4","0.5","","Wang, Jiamin; Li, Shaoguang; Yang, Peiju; Huang, Xiaojuan; Yang, Xiao-Juan; Wu, Biao","From anion complexes to anion coordination polymers (ACPs): assembly with a 1,5-naphthylene bridged bis-bisurea ligand","CrystEngComm","2013","15","22","4540","","10.1039/c3ce26982e","","","0.71073","MoKα","","0.0616","0.054","","","0.1511","0.16","","","","","","1.033","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210084","8.9484","0.0019","9.473","0.002","21.594","0.005","83.826","0.003","84.847","0.002","80.815","0.003","1791.6","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H102 Br2 N12 O8 -","- C70 H102 Br2 N12 O8 -","- C70 H102 Br2 N12 O8 -","1","0.5","","Wang, Jiamin; Li, Shaoguang; Yang, Peiju; Huang, Xiaojuan; Yang, Xiao-Juan; Wu, Biao","From anion complexes to anion coordination polymers (ACPs): assembly with a 1,5-naphthylene bridged bis-bisurea ligand","CrystEngComm","2013","15","22","4540","","10.1039/c3ce26982e","","","0.71073","MoKα","","0.0606","0.0479","","","0.1412","0.1615","","","","","","1.13","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210085","17.8097","0.0008","7.9282","0.0004","25.8018","0.0009","90","","119.499","0.002","90","","3170.9","0.2","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H38 N10 O6 -","- C31 H38 N10 O6 -","- C124 H152 N40 O24 -","4","1","","Nanubolu, Jagadeesh Babu; Sridhar, Balasubramanian; Ravikumar, Krishnan; Sawant, Kamlesh D.; Naik, Tushar A.; Patkar, Laxmikant N.; Cherukuvada, Suryanarayan; Sreedhar, Bojja","Polymorphism in metformin embonate salt ‒ recurrence of dimeric and tetrameric guanidinium‒carboxylate synthons","CrystEngComm","2013","15","22","4448","","10.1039/c3ce26986h","","","0.71073","MoKα","","0.0653","0.0439","","","0.1171","0.1364","","","","","","1.046","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210086","7.468","0.0006","13.8016","0.0011","16.2856","0.0013","73.334","0.001","83.171","0.001","82.666","0.001","1588.9","0.2","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H38 N10 O6 -","- C31 H38 N10 O6 -","- C62 H76 N20 O12 -","2","1","","Nanubolu, Jagadeesh Babu; Sridhar, Balasubramanian; Ravikumar, Krishnan; Sawant, Kamlesh D.; Naik, Tushar A.; Patkar, Laxmikant N.; Cherukuvada, Suryanarayan; Sreedhar, Bojja","Polymorphism in metformin embonate salt ‒ recurrence of dimeric and tetrameric guanidinium‒carboxylate synthons","CrystEngComm","2013","15","22","4448","","10.1039/c3ce26986h","","","0.71073","MoKα","","0.0405","0.0363","","","0.104","0.1083","","","","","","1.04","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210087","11.399","0.0004","15.5354","0.0005","9.2351","0.0003","90","","109.568","0.004","90","","1540.97","0.1","173","","173","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 N4 -","- C20 H14 N4 -","- C80 H56 N16 -","4","1","","Fahsi, Karim; Deschamps, Jérôme; Chougrani, Kamel; Viau, Lydie; Boury, Bruno; Vioux, André; van der Lee, Arie; Dutremez, Sylvain G.","Stability and solid-state polymerization reactivity of imidazolyl- and benzimidazolyl-substituted diacetylenes: pivotal role of lattice water","CrystEngComm","2013","15","21","4261","","10.1039/c3ce27057b","","","0.71073","MoKα","","0.0802","0.044","","0.1142","0.0885","0.1136","","","","","","0.97","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210088","10.353","0.0003","12.3146","0.0003","9.4233","0.0002","90","","90","","90","","1201.41","0.05","173.1","","173.1","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C12 H12 N4 O -","- C12 H12 N4 O -","- C48 H48 N16 O4 -","4","0.5","","Fahsi, Karim; Deschamps, Jérôme; Chougrani, Kamel; Viau, Lydie; Boury, Bruno; Vioux, André; van der Lee, Arie; Dutremez, Sylvain G.","Stability and solid-state polymerization reactivity of imidazolyl- and benzimidazolyl-substituted diacetylenes: pivotal role of lattice water","CrystEngComm","2013","15","21","4261","","10.1039/c3ce27057b","","","0.71073","","","0.054","0.0395","","0.1093","0.0947","0.1093","","","","","","0.9727","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210089","4.537803","","19.75839","","19.85653","","90","","95.3888","","90","","1772.46","","","","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H16 N4 O -","- C20 H16 N4 O -","- C80 H64 N16 O4 -","4","2","","Fahsi, Karim; Deschamps, Jérôme; Chougrani, Kamel; Viau, Lydie; Boury, Bruno; Vioux, André; van der Lee, Arie; Dutremez, Sylvain G.","Stability and solid-state polymerization reactivity of imidazolyl- and benzimidazolyl-substituted diacetylenes: pivotal role of lattice water","CrystEngComm","2013","15","21","4261","","10.1039/c3ce27057b","powder diffraction","","1.541","X-rays","","","","","","","","","","","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"7210090","29.5404","0.0012","29.5404","0.0012","14.9218","0.0012","90","","90","","120","","11276.8","1.1","295","2","295","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C50 H34.67 Ce N2 Na0.33 O10 -","- C50 H32 Ce N2 Na0.333333 O10 -","- C450 H288 Ce9 N18 Na3 O90 -","9","0.5","","Zhang, Xiutang; Fan, Liming; Sun, Zhong; Zhang, Wei; Fan, Weiliu; Sun, Liming; Zhao, Xian","Syntheses, structures, and luminescence of four lanthanide metal‒organic frameworks based on lanthanide-oxide chains with C2- or C3-symmetric trigonal-planar polycarboxylate ligands","CrystEngComm","2013","15","24","4910","","10.1039/c3ce27082c","","","0.71073","MoKα","","0.0412","0.0332","","","0.0984","0.1073","","","","","","1.001","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210091","22.264","0.012","28.623","0.016","29.104","0.015","90","","90","","90","","18547","17","296","2","296","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C24 H14 Eu N3 O7 -","- C24 H14 Eu N3 O7 -","- C768 H448 Eu32 N96 O224 -","32","1","","Zhang, Xiutang; Fan, Liming; Sun, Zhong; Zhang, Wei; Fan, Weiliu; Sun, Liming; Zhao, Xian","Syntheses, structures, and luminescence of four lanthanide metal‒organic frameworks based on lanthanide-oxide chains with C2- or C3-symmetric trigonal-planar polycarboxylate ligands","CrystEngComm","2013","15","24","4910","","10.1039/c3ce27082c","","","0.71073","MoKα","","0.0459","0.0359","","","0.1287","0.1336","","","","","","0.996","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210092","29.6966","0.0013","29.6966","0.0013","14.9618","0.0012","90","","90","","120","","11426.9","1.2","295","2","295","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C50 H34.67 Gd N2 Na0.33 O10 -","- C50 H32 Gd N2 Na0.333333 O10 -","- C450 H288 Gd9 N18 Na3 O90 -","9","0.5","","Zhang, Xiutang; Fan, Liming; Sun, Zhong; Zhang, Wei; Fan, Weiliu; Sun, Liming; Zhao, Xian","Syntheses, structures, and luminescence of four lanthanide metal‒organic frameworks based on lanthanide-oxide chains with C2- or C3-symmetric trigonal-planar polycarboxylate ligands","CrystEngComm","2013","15","24","4910","","10.1039/c3ce27082c","","","0.71073","MoKα","","0.1196","0.0732","","","0.2235","0.2671","","","","","","1.001","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210093","29.5657","0.0012","29.5657","0.0012","14.8222","0.0011","90","","90","","120","","11220.7","1.1","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C50 H34.67 N2 Na0.33 O10 Pr -","- C50 H30.66 N2 Na0.333333 O10 Pr -","- C450 H275.94 N18 Na3 O90 Pr9 -","9","0.5","","Zhang, Xiutang; Fan, Liming; Sun, Zhong; Zhang, Wei; Fan, Weiliu; Sun, Liming; Zhao, Xian","Syntheses, structures, and luminescence of four lanthanide metal‒organic frameworks based on lanthanide-oxide chains with C2- or C3-symmetric trigonal-planar polycarboxylate ligands","CrystEngComm","2013","15","24","4910","","10.1039/c3ce27082c","","","0.71073","MoKα","","0.0422","0.036","","","0.1006","0.1058","","","","","","1","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210094","22.304","0.003","28.721","0.004","29.158","0.004","90","","90","","90","","18678","4","296","2","296","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C24 H14 N3 O7 Sm -","- C24 H12 N3 O7 Sm -","- C768 H384 N96 O224 Sm32 -","32","1","","Zhang, Xiutang; Fan, Liming; Sun, Zhong; Zhang, Wei; Fan, Weiliu; Sun, Liming; Zhao, Xian","Syntheses, structures, and luminescence of four lanthanide metal‒organic frameworks based on lanthanide-oxide chains with C2- or C3-symmetric trigonal-planar polycarboxylate ligands","CrystEngComm","2013","15","24","4910","","10.1039/c3ce27082c","","","0.71073","MoKα","","0.0512","0.0403","","","0.1308","0.1373","","","","","","0.997","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210095","6.1029","0.001","21.056","0.003","6.3665","0.0009","90","","100.526","0.016","90","","804.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 Ni O2 S4 -","- C12 H18 Ni O2 S4 -","- C24 H36 Ni2 O4 S8 -","2","0.5","","Rajput, Gunjan; Singh, Vikram; Gupta, Ajit N.; Yadav, Manoj Kumar; Kumar, Vinod; Singh, Santosh Kumar; Prasad, Akhilesh; Drew, Michael G. B.; Singh, Nanhai","Unusual C‒H⋯Ni anagostic interactions in new homoleptic Ni(ii) dithio complexes","CrystEngComm","2013","15","23","4676","","10.1039/c3ce27096c","","","0.71073","MoKα","","0.1005","0.0626","","","0.1343","0.166","","","","","","1.01","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210096","6.1216","0.0011","10.3788","0.0016","10.7918","0.0009","78.834","0.011","76.312","0.012","83.671","0.013","652.08","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H22 N4 Ni O2 S4 -","- C24 H22 N4 Ni O2 S4 -","- C24 H22 N4 Ni O2 S4 -","1","0.5","","Rajput, Gunjan; Singh, Vikram; Gupta, Ajit N.; Yadav, Manoj Kumar; Kumar, Vinod; Singh, Santosh Kumar; Prasad, Akhilesh; Drew, Michael G. B.; Singh, Nanhai","Unusual C‒H⋯Ni anagostic interactions in new homoleptic Ni(ii) dithio complexes","CrystEngComm","2013","15","23","4676","","10.1039/c3ce27096c","","","0.71073","MoKα","","0.0897","0.0575","","","0.1549","0.1758","","","","","","0.968","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210097","6.2494","0.0004","6.9702","0.0005","15.3641","0.0013","80.996","0.006","82.99","0.006","89.46","0.005","656.03","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H24 N2 Ni O2 S4 -","- C26 H24 N2 Ni O2 S4 -","- C26 H24 N2 Ni O2 S4 -","1","0.5","","Rajput, Gunjan; Singh, Vikram; Gupta, Ajit N.; Yadav, Manoj Kumar; Kumar, Vinod; Singh, Santosh Kumar; Prasad, Akhilesh; Drew, Michael G. B.; Singh, Nanhai","Unusual C‒H⋯Ni anagostic interactions in new homoleptic Ni(ii) dithio complexes","CrystEngComm","2013","15","23","4676","","10.1039/c3ce27096c","","","0.71073","MoKα","","0.0877","0.0569","","","0.1374","0.1526","","","","","","0.997","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210098","17.2196","0.0009","5.8144","0.0003","13.3549","0.0006","90","","98.728","0.005","90","","1321.63","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 Ni O2 S4 -","- C30 H22 Ni O2 S4 -","- C60 H44 Ni2 O4 S8 -","2","0.5","","Rajput, Gunjan; Singh, Vikram; Gupta, Ajit N.; Yadav, Manoj Kumar; Kumar, Vinod; Singh, Santosh Kumar; Prasad, Akhilesh; Drew, Michael G. B.; Singh, Nanhai","Unusual C‒H⋯Ni anagostic interactions in new homoleptic Ni(ii) dithio complexes","CrystEngComm","2013","15","23","4676","","10.1039/c3ce27096c","","","0.71073","MoKα","","0.109","0.0586","","","0.1199","0.1413","","","","","","1.004","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210099","6.414","0.0006","7.9477","0.0008","14.5825","0.0013","98.677","0.008","97.771","0.008","106.057","0.009","693.83","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H32 N2 Ni O2 S4 -","- C26 H32 N2 Ni O2 S4 -","- C26 H32 N2 Ni O2 S4 -","1","0.5","","Rajput, Gunjan; Singh, Vikram; Gupta, Ajit N.; Yadav, Manoj Kumar; Kumar, Vinod; Singh, Santosh Kumar; Prasad, Akhilesh; Drew, Michael G. B.; Singh, Nanhai","Unusual C‒H⋯Ni anagostic interactions in new homoleptic Ni(ii) dithio complexes","CrystEngComm","2013","15","23","4676","","10.1039/c3ce27096c","","","0.71073","MoKα","","0.1713","0.0669","","","0.0965","0.1239","","","","","","0.903","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210100","6.4456","0.0014","10.11","0.002","11.407","0.003","76","0.019","80.634","0.019","73.41","0.02","687.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H26 N4 Ni S4 -","- C28 H26 N4 Ni S4 -","- C28 H26 N4 Ni S4 -","1","0.5","","Rajput, Gunjan; Singh, Vikram; Gupta, Ajit N.; Yadav, Manoj Kumar; Kumar, Vinod; Singh, Santosh Kumar; Prasad, Akhilesh; Drew, Michael G. B.; Singh, Nanhai","Unusual C‒H⋯Ni anagostic interactions in new homoleptic Ni(ii) dithio complexes","CrystEngComm","2013","15","23","4676","","10.1039/c3ce27096c","","","0.71073","MoKα","","0.1379","0.0867","","","0.2541","0.2835","","","","","","1.132","","","","has coordinates,has disorder","180432","2020-10-21","18:00:00",""
"7210101","15.916","0.003","19.127","0.004","8.2011","0.0016","90","","90","","90","","2496.6","0.9","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C6 H8 Cd N10 O2 -","- C6 H8 Cd N10 O2 -","- C48 H64 Cd8 N80 O16 -","8","0.5","","Liao, Jian-Zhen; Ke, Hua; Liu, Jian-Jun; Li, Zuo-Yin; Lin, Mei-Jin; Wang, Jun-Dong; Huang, Chang-Cang","Coordination polymers of tetrazole-yl acylamide with octahedrally coordinated divalent transition metals: the effects of metal centers and side-groups on the structural topologies and symmetries","CrystEngComm","2013","15","24","4830","","10.1039/c3ce27100e","","","0.71073","MoKα","","0.0199","0.0196","","","0.0476","0.0481","","","","","","1.154","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210102","17.665","0.003","10.105","0.002","7.1333","0.0014","90","","91.73","0.03","90","","1272.7","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H8 N10 O3 Zn -","- C6 H8 N10 O3 Zn -","- C24 H32 N40 O12 Zn4 -","4","0.5","","Liao, Jian-Zhen; Ke, Hua; Liu, Jian-Jun; Li, Zuo-Yin; Lin, Mei-Jin; Wang, Jun-Dong; Huang, Chang-Cang","Coordination polymers of tetrazole-yl acylamide with octahedrally coordinated divalent transition metals: the effects of metal centers and side-groups on the structural topologies and symmetries","CrystEngComm","2013","15","24","4830","","10.1039/c3ce27100e","","","0.71073","MoKα","","0.0321","0.0309","","","0.0787","0.0794","","","","","","1.138","","","","has coordinates,has disorder","180432","2020-10-21","18:00:00",""
"7210103","7.0989","0.0014","9.0946","0.0018","8.1688","0.0016","90","","102.65","0.03","90","","514.59","0.19","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H8 Cu N10 O2 -","- C6 H8 Cu N10 O2 -","- C12 H16 Cu2 N20 O4 -","2","0.5","","Liao, Jian-Zhen; Ke, Hua; Liu, Jian-Jun; Li, Zuo-Yin; Lin, Mei-Jin; Wang, Jun-Dong; Huang, Chang-Cang","Coordination polymers of tetrazole-yl acylamide with octahedrally coordinated divalent transition metals: the effects of metal centers and side-groups on the structural topologies and symmetries","CrystEngComm","2013","15","24","4830","","10.1039/c3ce27100e","","","0.71073","MoKα","","0.0377","0.0352","","","0.0838","0.0851","","","","","","1.156","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210104","9.3707","0.0019","12.181","0.002","9.1857","0.0018","90","","90","","90","","1048.5","0.3","113","2","113","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C6 H8 Mn N10 O2 -","- C6 H8 Mn N10 O2 -","- C24 H32 Mn4 N40 O8 -","4","","","Liao, Jian-Zhen; Ke, Hua; Liu, Jian-Jun; Li, Zuo-Yin; Lin, Mei-Jin; Wang, Jun-Dong; Huang, Chang-Cang","Coordination polymers of tetrazole-yl acylamide with octahedrally coordinated divalent transition metals: the effects of metal centers and side-groups on the structural topologies and symmetries","CrystEngComm","2013","15","24","4830","","10.1039/c3ce27100e","","","0.71073","MoKα","","0.0731","0.0705","","","0.1862","0.1888","","","","","","1.303","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210105","9.4928","0.0019","18.587","0.004","8.9107","0.0018","90","","115.98","0.03","90","","1413.3","0.6","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C8 H12 Cd N10 O2 -","- C8 H12 Cd N10 O2 -","- C32 H48 Cd4 N40 O8 -","4","1","","Liao, Jian-Zhen; Ke, Hua; Liu, Jian-Jun; Li, Zuo-Yin; Lin, Mei-Jin; Wang, Jun-Dong; Huang, Chang-Cang","Coordination polymers of tetrazole-yl acylamide with octahedrally coordinated divalent transition metals: the effects of metal centers and side-groups on the structural topologies and symmetries","CrystEngComm","2013","15","24","4830","","10.1039/c3ce27100e","","","0.71073","MoKα","","0.0231","0.0228","","","0.048","0.0481","","","","","","1.035","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210106","9.811","0.002","18.035","0.004","8.8072","0.0018","90","","117.44","0.03","90","","1383","0.6","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C8 H12 Mn N10 O2 -","- C8 H12 Mn N10 O2 -","- C32 H48 Mn4 N40 O8 -","4","1","","Liao, Jian-Zhen; Ke, Hua; Liu, Jian-Jun; Li, Zuo-Yin; Lin, Mei-Jin; Wang, Jun-Dong; Huang, Chang-Cang","Coordination polymers of tetrazole-yl acylamide with octahedrally coordinated divalent transition metals: the effects of metal centers and side-groups on the structural topologies and symmetries","CrystEngComm","2013","15","24","4830","","10.1039/c3ce27100e","","","0.71073","MoKα","","0.079","0.0747","","","0.1766","0.1809","","","","","","1.129","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210107","22.1366","0.0006","10.4274","0.0003","10.7186","0.0003","90","","90","","90","","2474.14","0.12","120","2","120","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C12 H14 N4 O2 -","- C12 H14 N4 O2 -","- C96 H112 N32 O16 -","8","2","","Cunha, Anna C.; Ferreira, Vitor F.; Jordão, Alessandro K.; de Souza, Maria C. B. V.; Wardell, Solange M. S. V.; Wardell, James L.; Tan, Peiyu Amelia; Bettens, Ryan P. A.; Seth, Saikat Kumar; Tiekink, Edward R. T.","Aryl-substituents moderate the nature of hydrogen bonds, N‒H⋯N versus N‒H⋯O, leading to supramolecular chains in the crystal structures of N-arylamino 1,2,3-triazole esters","CrystEngComm","2013","15","24","4917","","10.1039/c3ce40102b","","","0.71073","MoKα","","0.054","0.039","","","0.085","0.092","","","","","","1.04","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210108","10.057","0.003","17.51","0.004","14.102","0.004","90","","95.722","0.003","90","","2471","1.2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 F N4 O2 -","- C12 H13 F N4 O2 -","- C96 H104 F8 N32 O16 -","8","2","","Cunha, Anna C.; Ferreira, Vitor F.; Jordão, Alessandro K.; de Souza, Maria C. B. V.; Wardell, Solange M. S. V.; Wardell, James L.; Tan, Peiyu Amelia; Bettens, Ryan P. A.; Seth, Saikat Kumar; Tiekink, Edward R. T.","Aryl-substituents moderate the nature of hydrogen bonds, N‒H⋯N versus N‒H⋯O, leading to supramolecular chains in the crystal structures of N-arylamino 1,2,3-triazole esters","CrystEngComm","2013","15","24","4917","","10.1039/c3ce40102b","","","0.6911","synchrotron","","0.081","0.064","","","0.174","0.187","","","","","","1.11","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210109","12.6207","0.0007","9.8187","0.0005","11.0587","0.0007","90","","105.846","0.003","90","","1318.31","0.13","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 Cl N4 O2 -","- C12 H13 Cl N4 O2 -","- C48 H52 Cl4 N16 O8 -","4","1","","Cunha, Anna C.; Ferreira, Vitor F.; Jordão, Alessandro K.; de Souza, Maria C. B. V.; Wardell, Solange M. S. V.; Wardell, James L.; Tan, Peiyu Amelia; Bettens, Ryan P. A.; Seth, Saikat Kumar; Tiekink, Edward R. T.","Aryl-substituents moderate the nature of hydrogen bonds, N‒H⋯N versus N‒H⋯O, leading to supramolecular chains in the crystal structures of N-arylamino 1,2,3-triazole esters","CrystEngComm","2013","15","24","4917","","10.1039/c3ce40102b","","","0.71073","MoKα","","0.08","0.047","","","0.117","0.134","","","","","","1.03","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210110","12.7435","0.0003","9.9927","0.0002","11.115","0.0003","90","","105.305","0.0013","90","","1365.21","0.06","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 Br N4 O2 -","- C12 H13 Br N4 O2 -","- C48 H52 Br4 N16 O8 -","4","1","","Cunha, Anna C.; Ferreira, Vitor F.; Jordão, Alessandro K.; de Souza, Maria C. B. V.; Wardell, Solange M. S. V.; Wardell, James L.; Tan, Peiyu Amelia; Bettens, Ryan P. A.; Seth, Saikat Kumar; Tiekink, Edward R. T.","Aryl-substituents moderate the nature of hydrogen bonds, N‒H⋯N versus N‒H⋯O, leading to supramolecular chains in the crystal structures of N-arylamino 1,2,3-triazole esters","CrystEngComm","2013","15","24","4917","","10.1039/c3ce40102b","","","0.71073","MoKα","","0.041","0.028","","","0.066","0.071","","","","","","1.02","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210111","11.033","0.002","10.411","0.002","24.957","0.005","90","","90","","90","","2866.7","1","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C12 H13 I N4 O2 -","- C12 H13 I N4 O2 -","- C96 H104 I8 N32 O16 -","8","2","","Cunha, Anna C.; Ferreira, Vitor F.; Jordão, Alessandro K.; de Souza, Maria C. B. V.; Wardell, Solange M. S. V.; Wardell, James L.; Tan, Peiyu Amelia; Bettens, Ryan P. A.; Seth, Saikat Kumar; Tiekink, Edward R. T.","Aryl-substituents moderate the nature of hydrogen bonds, N‒H⋯N versus N‒H⋯O, leading to supramolecular chains in the crystal structures of N-arylamino 1,2,3-triazole esters","CrystEngComm","2013","15","24","4917","","10.1039/c3ce40102b","","","0.6893","synchrotron","","0.05","0.036","","","0.074","0.079","","","","","","1.01","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210112","8.965","0.004","9.911","0.004","15.067","0.007","90","","96.587","0.014","90","","1329.9","1","98","2","98","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 N4 O3 -","- C13 H16 N4 O3 -","- C52 H64 N16 O12 -","4","1","","Cunha, Anna C.; Ferreira, Vitor F.; Jordão, Alessandro K.; de Souza, Maria C. B. V.; Wardell, Solange M. S. V.; Wardell, James L.; Tan, Peiyu Amelia; Bettens, Ryan P. A.; Seth, Saikat Kumar; Tiekink, Edward R. T.","Aryl-substituents moderate the nature of hydrogen bonds, N‒H⋯N versus N‒H⋯O, leading to supramolecular chains in the crystal structures of N-arylamino 1,2,3-triazole esters","CrystEngComm","2013","15","24","4917","","10.1039/c3ce40102b","","","0.71069","MoKα","","0.066","0.056","","","0.123","0.129","","","","","","1.17","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210113","10.1622","0.0019","17.127","0.003","15.487","0.003","90","","92.476","0.007","90","","2693","0.9","98","2","98","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 N5 O4 -","- C12 H13 N5 O4 -","- C96 H104 N40 O32 -","8","2","","Cunha, Anna C.; Ferreira, Vitor F.; Jordão, Alessandro K.; de Souza, Maria C. B. V.; Wardell, Solange M. S. V.; Wardell, James L.; Tan, Peiyu Amelia; Bettens, Ryan P. A.; Seth, Saikat Kumar; Tiekink, Edward R. T.","Aryl-substituents moderate the nature of hydrogen bonds, N‒H⋯N versus N‒H⋯O, leading to supramolecular chains in the crystal structures of N-arylamino 1,2,3-triazole esters","CrystEngComm","2013","15","24","4917","","10.1039/c3ce40102b","","","0.71069","MoKα","","0.088","0.07","","","0.15","0.159","","","","","","1.18","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210114","7.2818","0.0011","11.242","0.003","16.916","0.004","87.87","0.02","88.86","0.04","88.29","0.02","1383","0.5","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H12 Cl2 N4 O2 -","- C12 H12 Cl2 N4 O2 -","- C48 H48 Cl8 N16 O8 -","4","2","","Cunha, Anna C.; Ferreira, Vitor F.; Jordão, Alessandro K.; de Souza, Maria C. B. V.; Wardell, Solange M. S. V.; Wardell, James L.; Tan, Peiyu Amelia; Bettens, Ryan P. A.; Seth, Saikat Kumar; Tiekink, Edward R. T.","Aryl-substituents moderate the nature of hydrogen bonds, N‒H⋯N versus N‒H⋯O, leading to supramolecular chains in the crystal structures of N-arylamino 1,2,3-triazole esters","CrystEngComm","2013","15","24","4917","","10.1039/c3ce40102b","","","0.6893","Synchrotron","","0.059","0.051","","","0.131","0.136","","","","","","1.11","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210115","20.769","0.002","11.6795","0.0012","20.382","0.002","90","","105.572","0.001","90","","4762.6","0.8","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H19 Cd F3 N3 O5.5 -","- C24 H19 Cd F3 N3 O5.5 -","- C192 H152 Cd8 F24 N24 O44 -","8","1","","Liu, Guang-Zhen; Li, Shi-Hui; Li, Xiao-Ling; Xin, Ling-Yun; Wang, Li-Ya","Three series of MOFs featuring various metal(ii)-carboxylate chains cross-linked by dipyridyl-typed coligands: synthesis, structure, and solvent-dependent luminescence","CrystEngComm","2013","15","22","4571","","10.1039/c3ce40109j","","","0.71073","MoKα","","0.0469","0.0407","","","0.1053","0.1098","","","","","","1.045","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210116","20.75","0.004","11.66","0.002","20.045","0.004","90","","105.057","0.002","90","","4683.3","1.5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H15 Cd F3 N3 O4 -","- C24 H15 Cd F3 N3 O4 -","- C192 H120 Cd8 F24 N24 O32 -","8","1","","Liu, Guang-Zhen; Li, Shi-Hui; Li, Xiao-Ling; Xin, Ling-Yun; Wang, Li-Ya","Three series of MOFs featuring various metal(ii)-carboxylate chains cross-linked by dipyridyl-typed coligands: synthesis, structure, and solvent-dependent luminescence","CrystEngComm","2013","15","22","4571","","10.1039/c3ce40109j","","","0.71073","MoKα","","0.0594","0.0409","","","0.0925","0.1026","","","","","","1.029","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210117","27.5676","0.0009","27.5676","0.0009","14.3113","0.001","90","","90","","90","","10876.2","0.9","296","2","296","2","","","","","","","","6","I -4","I -4","82","","","","- C57 H51 Co2 F6 N6 O10 -","- C57 H51 Co2 F6 N6 O10 -","- C456 H408 Co16 F48 N48 O80 -","8","1","","Liu, Guang-Zhen; Li, Shi-Hui; Li, Xiao-Ling; Xin, Ling-Yun; Wang, Li-Ya","Three series of MOFs featuring various metal(ii)-carboxylate chains cross-linked by dipyridyl-typed coligands: synthesis, structure, and solvent-dependent luminescence","CrystEngComm","2013","15","22","4571","","10.1039/c3ce40109j","","","0.71073","MoKα","","0.0783","0.0465","","","0.0806","0.0877","","","","","","1.009","","","","has coordinates,has disorder","180432","2020-10-21","18:00:00",""
"7210118","27.4279","0.0014","27.4279","0.0014","14.309","0.0019","90","","90","","90","","10764.5","1.6","296","2","296","2","","","","","","","","6","I -4","I -4","82","","","","- C57 H51 F6 N6 Ni2 O10 -","- C57 H51 F6 N6 Ni2 O10 -","- C456 H408 F48 N48 Ni16 O80 -","8","1","","Liu, Guang-Zhen; Li, Shi-Hui; Li, Xiao-Ling; Xin, Ling-Yun; Wang, Li-Ya","Three series of MOFs featuring various metal(ii)-carboxylate chains cross-linked by dipyridyl-typed coligands: synthesis, structure, and solvent-dependent luminescence","CrystEngComm","2013","15","22","4571","","10.1039/c3ce40109j","","","0.71073","MoKα","","0.1227","0.0619","","","0.1161","0.1404","","","","","","1.031","","","","has coordinates,has disorder","180432","2020-10-21","18:00:00",""
"7210119","13.023","0.016","10.525","0.013","14.555","0.019","90","","95.706","0.015","90","","1985","4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H15 Cu F3 N2 O4 -","- C21 H15 Cu F3 N2 O4 -","- C84 H60 Cu4 F12 N8 O16 -","4","1","","Liu, Guang-Zhen; Li, Shi-Hui; Li, Xiao-Ling; Xin, Ling-Yun; Wang, Li-Ya","Three series of MOFs featuring various metal(ii)-carboxylate chains cross-linked by dipyridyl-typed coligands: synthesis, structure, and solvent-dependent luminescence","CrystEngComm","2013","15","22","4571","","10.1039/c3ce40109j","","","0.71073","MoKα","","0.1948","0.0745","","","0.1424","0.1871","","","","","","1.005","","","","has coordinates,has disorder","180432","2020-10-21","18:00:00",""
"7210120","13.567","0.003","11.779","0.002","11.206","0.002","90","","90","","90","","1790.8","0.6","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C20 H10 Cu F4 N2 O4 -","- C20 H10 Cu F4 N2 O4 -","- C80 H40 Cu4 F16 N8 O16 -","4","1","","Liu, Guang-Zhen; Li, Shi-Hui; Li, Xiao-Ling; Xin, Ling-Yun; Wang, Li-Ya","Three series of MOFs featuring various metal(ii)-carboxylate chains cross-linked by dipyridyl-typed coligands: synthesis, structure, and solvent-dependent luminescence","CrystEngComm","2013","15","22","4571","","10.1039/c3ce40109j","","","0.71073","MoKα","","0.0413","0.0301","","","0.0563","0.0609","","","","","","1.049","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210121","14.162","0.003","13.601","0.003","10.898","0.002","90","","90","","90","","2099.1","0.7","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C20 H10 Cl4 Cu N2 O4 -","- C20 H10 Cl4 Cu N2 O4 -","- C80 H40 Cl16 Cu4 N8 O16 -","4","1","","Liu, Guang-Zhen; Li, Shi-Hui; Li, Xiao-Ling; Xin, Ling-Yun; Wang, Li-Ya","Three series of MOFs featuring various metal(ii)-carboxylate chains cross-linked by dipyridyl-typed coligands: synthesis, structure, and solvent-dependent luminescence","CrystEngComm","2013","15","22","4571","","10.1039/c3ce40109j","","","0.71073","MoKα","","0.0291","0.0239","","","0.054","0.0565","","","","","","1.029","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210122","11.302","0.005","11.733","0.005","19.506","0.005","105.608","0.005","101.952","0.005","98.351","0.005","2381.2","1.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H48 N2 O20 Zn4 -","- C38 H48 N2 O20 Zn4 -","- C76 H96 N4 O40 Zn8 -","2","1","","Xu, Guohai; Lv, Jianyi; Guo, Peng; Zhou, Zhonggao; Du, Ziyi; Xie, Yongrong","Two ligand-length-tunable interpenetrating coordination networks with stable Zn2 unit as three-connected uninode and supramolecular topologies","CrystEngComm","2013","15","22","4473","","10.1039/c3ce40117k","","","0.71069","MoKα","","0.0889","0.0491","","","0.1211","0.1375","","","","","","0.907","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210123","29.662","0.001","11.265","0.005","21.545","0.002","90","","130.711","0.001","90","","5457","2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H26 N O9 Zn2 -","- C27 H26 N O9 Zn2 -","- C216 H208 N8 O72 Zn16 -","8","1","","Xu, Guohai; Lv, Jianyi; Guo, Peng; Zhou, Zhonggao; Du, Ziyi; Xie, Yongrong","Two ligand-length-tunable interpenetrating coordination networks with stable Zn2 unit as three-connected uninode and supramolecular topologies","CrystEngComm","2013","15","22","4473","","10.1039/c3ce40117k","","","0.71073","MoKα","","0.0415","0.0328","","","0.0891","0.0939","","","","","","1.034","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7210124","9.7785","0.0008","11.6587","0.0009","12.0337","0.0009","117.425","0.001","90.111","0.001","110.357","0.001","1119.78","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H50 Co Mo8 N4 O40 -","- C12 H20 Co Mo8 N4 O40 -","- C12 H20 Co Mo8 N4 O40 -","1","0.5","","Chen, Zhaofei; An, Haiyan; Zhang, Hua; Hu, Ying","Metal(ii)-directed self-assembly of amino acid functionalized polyoxometalates","CrystEngComm","2013","15","23","4711","","10.1039/c3ce40129d","","","0.71073","MoKα","","0.0359","0.0343","","","0.0969","0.0982","","","","","","1.125","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210125","11.8266","0.0008","13.3267","0.0009","15.1283","0.0007","90","","125.293","0.003","90","","1946.1","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H34 Co2 Mo8 N2 O38 -","- C10 H18 Co2 Mo8 N2 O38 -","- C20 H36 Co4 Mo16 N4 O76 -","2","0.5","","Chen, Zhaofei; An, Haiyan; Zhang, Hua; Hu, Ying","Metal(ii)-directed self-assembly of amino acid functionalized polyoxometalates","CrystEngComm","2013","15","23","4711","","10.1039/c3ce40129d","","","0.71073","MoKα","","0.0765","0.0745","","","0.2061","0.207","","","","","","1.374","","","","has coordinates,has disorder","180432","2020-10-21","18:00:00",""
"7210126","11.4202","0.0003","12.6946","0.0003","15.3512","0.0004","90","","117.669","0.002","90","","1971.04","0.09","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H34 Cu2 Mo8 N2 O38 -","- C10 H16 Cu2 Mo8 N2 O38 -","- C20 H32 Cu4 Mo16 N4 O76 -","2","0.5","","Chen, Zhaofei; An, Haiyan; Zhang, Hua; Hu, Ying","Metal(ii)-directed self-assembly of amino acid functionalized polyoxometalates","CrystEngComm","2013","15","23","4711","","10.1039/c3ce40129d","","","0.71073","MoKα","","0.0417","0.041","","","0.1064","0.1067","","","","","","1.428","","","","has coordinates,has disorder","180432","2020-10-21","18:00:00",""
"7210127","9.4918","0.0009","9.9627","0.0009","17.1173","0.0016","84.318","0.002","83.069","0.002","72.651","0.002","1530.4","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H66 Cu3 Mo8 N4 O51 -","- C12 H14 Cu3 Mo8 N4 O51 -","- C12 H14 Cu3 Mo8 N4 O51 -","1","0.5","","Chen, Zhaofei; An, Haiyan; Zhang, Hua; Hu, Ying","Metal(ii)-directed self-assembly of amino acid functionalized polyoxometalates","CrystEngComm","2013","15","23","4711","","10.1039/c3ce40129d","","","0.71073","MoKα","","0.1105","0.1041","","","0.2077","0.2106","","","","","","1.301","","","","has coordinates,has disorder","180432","2020-10-21","18:00:00",""
"7210128","11.8223","0.0008","13.3101","0.0009","15.1384","0.0008","90","","125.407","0.004","90","","1941.6","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H34 Mo8 N2 O38 Zn2 -","- C10 H17 Mo8 N2 O38 Zn2 -","- C20 H34 Mo16 N4 O76 Zn4 -","2","0.5","","Chen, Zhaofei; An, Haiyan; Zhang, Hua; Hu, Ying","Metal(ii)-directed self-assembly of amino acid functionalized polyoxometalates","CrystEngComm","2013","15","23","4711","","10.1039/c3ce40129d","","","0.71073","MoKα","","0.0847","0.0801","","","0.192","0.1935","","","","","","1.429","","","","has coordinates,has disorder","180432","2020-10-21","18:00:00",""
"7210129","9.7735","0.0003","11.6942","0.0004","12.0719","0.0004","117.561","0.001","90.082","0.001","110.577","0.001","1122.53","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H50 Mo8 N4 O40 Zn -","- C12 H20 Mo8 N4 O40 Zn -","- C12 H20 Mo8 N4 O40 Zn -","1","0.5","","Chen, Zhaofei; An, Haiyan; Zhang, Hua; Hu, Ying","Metal(ii)-directed self-assembly of amino acid functionalized polyoxometalates","CrystEngComm","2013","15","23","4711","","10.1039/c3ce40129d","","","0.71073","MoKα","","0.0357","0.0343","","","0.0895","0.0903","","","","","","1.153","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210130","6.6796","0.0004","21.6754","0.0014","9.7556","0.0007","90","","94.919","0.002","90","","1407.24","0.16","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 N O2 -","- C16 H15 N O2 -","- C64 H60 N4 O8 -","4","1","","Kodama, Satoshi; Johmoto, Kohei; Sekine, Akiko; Fujii, Kotaro; Uekusa, Hidehiro","Structural understanding of solid-state photodimerization reactions of cinnamic amide derivatives in terms of reaction cavities ‒ color developer for thermosensitive paper","CrystEngComm","2013","15","23","4667","","10.1039/c3ce40130h","","","0.71075","MoKα","","0.1012","0.041","","","0.1067","0.1347","","","","","","1.027","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210131","7.1644","0.0015","17.79","0.004","10.796","0.002","90","","96.59","0.005","90","","1366.9","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 N O2 -","- C16 H15 N O2 -","- C64 H60 N4 O8 -","4","1","","Kodama, Satoshi; Johmoto, Kohei; Sekine, Akiko; Fujii, Kotaro; Uekusa, Hidehiro","Structural understanding of solid-state photodimerization reactions of cinnamic amide derivatives in terms of reaction cavities ‒ color developer for thermosensitive paper","CrystEngComm","2013","15","23","4667","","10.1039/c3ce40130h","","","0.71075","MoKα","","0.1505","0.062","","","0.1435","0.1871","","","","","","1.021","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210132","6.814","0.0003","18.4539","0.0009","10.2513","0.0005","90","","95.17","0.001","90","","1283.8","0.11","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H13 N O2 -","- C15 H13 N O2 -","- C60 H52 N4 O8 -","4","1","","Kodama, Satoshi; Johmoto, Kohei; Sekine, Akiko; Fujii, Kotaro; Uekusa, Hidehiro","Structural understanding of solid-state photodimerization reactions of cinnamic amide derivatives in terms of reaction cavities ‒ color developer for thermosensitive paper","CrystEngComm","2013","15","23","4667","","10.1039/c3ce40130h","","","0.71075","MoKα","","0.0508","0.0404","","","0.1125","0.1203","","","","","","1.086","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210133","20.0583","0.0004","7.1698","0.0001","20.374","0.0004","90","","113.15","0.001","90","","2694.13","0.09","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 N O2 -","- C16 H15 N O2 -","- C128 H120 N8 O16 -","8","2","","Kodama, Satoshi; Johmoto, Kohei; Sekine, Akiko; Fujii, Kotaro; Uekusa, Hidehiro","Structural understanding of solid-state photodimerization reactions of cinnamic amide derivatives in terms of reaction cavities ‒ color developer for thermosensitive paper","CrystEngComm","2013","15","23","4667","","10.1039/c3ce40130h","","","1.54178","CuKα","","0.0858","0.0504","","","0.1305","0.1765","","","","","","1.114","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210134","6.8016","0.0006","12.5421","0.001","16.2644","0.0014","90","","93.012","0.002","90","","1385.5","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H30 N2 O4 -","- C32 H30 N2 O4 -","- C64 H60 N4 O8 -","2","0.5","","Kodama, Satoshi; Johmoto, Kohei; Sekine, Akiko; Fujii, Kotaro; Uekusa, Hidehiro","Structural understanding of solid-state photodimerization reactions of cinnamic amide derivatives in terms of reaction cavities ‒ color developer for thermosensitive paper","CrystEngComm","2013","15","23","4667","","10.1039/c3ce40130h","","","0.71075","MoKα","","0.1183","0.0477","","","0.1177","0.1577","","","","","","1.067","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210135","6.7183","0.0002","18.3065","0.0004","31.5007","0.0008","90","","90","","90","","3874.23","0.17","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C7 H21 Ge N3 O S6 Sb2 -","- C7 H21 Ge N3 O S6 Sb2 -","- C56 H168 Ge8 N24 O8 S48 Sb16 -","8","1","","Feng, Mei-Ling; Hu, Chun-Li; Wang, Kai-Yao; Du, Cheng-Feng; Huang, Xiao-Ying","[AEPH2][GeSb2S6]·CH3OH: a thiogermanate‒thioantimonate featuring an infinite ribbon-like structure with an unusual {GeSb3S11} unit and exhibiting the ability of photocatalytic degradation of organic dye","CrystEngComm","2013","15","25","5007","","10.1039/c3ce40143j","","","0.71073","MoKα","","0.0667","0.0384","","","0.06","0.0678","","","","","","1.015","","","","has coordinates,has disorder","180432","2020-10-21","18:00:00",""
"7210136","8.4243","0.0014","12.227","0.002","13.193","0.002","96.96","0.002","93.427","0.002","101.28","0.002","1318","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H32 N4 O6 -","- C26 H32 N4 O6 -","- C52 H64 N8 O12 -","2","1","","Sander, John R. G.; Bučar, Dejan-Krešimir; Henry, Rodger F.; Giangiorgi, Brittany N.; Zhang, Geoff G. Z.; MacGillivray, Leonard R.","‘Masked synthons’ in crystal engineering: insulated components in acetaminophen cocrystal hydrates","CrystEngComm","2013","15","24","4816","","10.1039/c3ce40159f","","","0.71073","MoKα","","0.0443","0.037","","","0.115","0.125","","","","","","0.878","","","","has coordinates,has disorder","180432","2020-10-21","18:00:00",""
"7210137","9.2028","0.0009","11.529","0.0012","11.7206","0.0012","93.341","0.001","99.526","0.001","102.804","0.001","1190.1","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H28 N4 O4 -","- C26 H28 N4 O4 -","- C52 H56 N8 O8 -","2","1","","Sander, John R. G.; Bučar, Dejan-Krešimir; Henry, Rodger F.; Giangiorgi, Brittany N.; Zhang, Geoff G. Z.; MacGillivray, Leonard R.","‘Masked synthons’ in crystal engineering: insulated components in acetaminophen cocrystal hydrates","CrystEngComm","2013","15","24","4816","","10.1039/c3ce40159f","","","0.71073","MoKα","","0.0413","0.0358","","","0.1322","0.1398","","","","","","1.181","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210138","6.5584","0.0005","40.426","0.003","7.1631","0.0005","90","","97.589","0.001","90","","1882.5","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 N3 O4 -","- C20 H23 N3 O4 -","- C80 H92 N12 O16 -","4","1","","Sander, John R. G.; Bučar, Dejan-Krešimir; Henry, Rodger F.; Giangiorgi, Brittany N.; Zhang, Geoff G. Z.; MacGillivray, Leonard R.","‘Masked synthons’ in crystal engineering: insulated components in acetaminophen cocrystal hydrates","CrystEngComm","2013","15","24","4816","","10.1039/c3ce40159f","","","0.71073","MoKα","","0.047","0.0411","","","0.1265","0.133","","","","","","0.878","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210139","8.835","0.003","10.724","0.003","15.174","0.004","91.638","0.004","100.515","0.004","106.191","0.004","1352.7","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H34 N4 O5 -","- C30 H34 N4 O5 -","- C60 H68 N8 O10 -","2","1","","Sander, John R. G.; Bučar, Dejan-Krešimir; Henry, Rodger F.; Giangiorgi, Brittany N.; Zhang, Geoff G. Z.; MacGillivray, Leonard R.","‘Masked synthons’ in crystal engineering: insulated components in acetaminophen cocrystal hydrates","CrystEngComm","2013","15","24","4816","","10.1039/c3ce40159f","","","0.71073","MoKα","","0.0715","0.0625","","","0.1653","0.1757","","","","","","1.053","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210140","11.241","0.002","9.006","0.0018","23.169","0.005","90","","94.8","0.03","90","","2337.3","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 N4 O14 Sm -","- C18 H21 N4 O14 Sm -","- C72 H84 N16 O56 Sm4 -","4","1","","Wang, Ping; Fan, Rui-Qing; Yang, Yu-Lin; Liu, Xin-Rong; Xiao, Peng; Li, Xin-Yu; Hasi, Wuliji; Cao, Wen-Wu","1-D helical chain, 2-D layered network and 3-D porous lanthanide‒organic frameworks based on multiple coordination sites of benzimidazole-5,6-dicarboxylic acid: synthesis, crystal structure, photoluminescence and thermal stability","CrystEngComm","2013","15","22","4489","","10.1039/c3ce40184g","","","0.71073","MoKα","","0.0263","0.0231","","","0.0628","0.0644","","","","","","1.026","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210141","11.227","0.002","8.982","0.0018","23.119","0.005","90","","94.84","0.03","90","","2323","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 Gd N4 O14 -","- C18 H21 Gd N4 O14 -","- C72 H84 Gd4 N16 O56 -","4","1","","Wang, Ping; Fan, Rui-Qing; Yang, Yu-Lin; Liu, Xin-Rong; Xiao, Peng; Li, Xin-Yu; Hasi, Wuliji; Cao, Wen-Wu","1-D helical chain, 2-D layered network and 3-D porous lanthanide‒organic frameworks based on multiple coordination sites of benzimidazole-5,6-dicarboxylic acid: synthesis, crystal structure, photoluminescence and thermal stability","CrystEngComm","2013","15","22","4489","","10.1039/c3ce40184g","","","0.71073","MoKα","","0.032","0.0274","","","0.0906","0.0962","","","","","","0.797","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210142","11.185","0.002","8.957","0.0018","23.074","0.005","90","","94.7","0.03","90","","2303.9","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 N4 O14 Tb -","- C18 H21 N4 O14 Tb -","- C72 H84 N16 O56 Tb4 -","4","1","","Wang, Ping; Fan, Rui-Qing; Yang, Yu-Lin; Liu, Xin-Rong; Xiao, Peng; Li, Xin-Yu; Hasi, Wuliji; Cao, Wen-Wu","1-D helical chain, 2-D layered network and 3-D porous lanthanide‒organic frameworks based on multiple coordination sites of benzimidazole-5,6-dicarboxylic acid: synthesis, crystal structure, photoluminescence and thermal stability","CrystEngComm","2013","15","22","4489","","10.1039/c3ce40184g","","","0.71073","MoKα","","0.0407","0.0339","","","0.1223","0.1314","","","","","","1.088","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210143","11.196","0.008","8.962","0.006","23.138","0.016","90","","94.772","0.008","90","","2314","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 Dy N4 O14 -","- C18 H21 Dy N4 O14 -","- C72 H84 Dy4 N16 O56 -","4","1","","Wang, Ping; Fan, Rui-Qing; Yang, Yu-Lin; Liu, Xin-Rong; Xiao, Peng; Li, Xin-Yu; Hasi, Wuliji; Cao, Wen-Wu","1-D helical chain, 2-D layered network and 3-D porous lanthanide‒organic frameworks based on multiple coordination sites of benzimidazole-5,6-dicarboxylic acid: synthesis, crystal structure, photoluminescence and thermal stability","CrystEngComm","2013","15","22","4489","","10.1039/c3ce40184g","","","0.71073","MoKα","","0.0417","0.0308","","","0.0695","0.0747","","","","","","0.972","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210144","6.5059","0.0006","9.8342","0.0008","10.9444","0.0009","99.882","0.007","106.505","0.007","106.19","0.007","620.36","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H10 N2 O9 Tb -","- C10 H10 N2 O9 Tb -","- C20 H20 N4 O18 Tb2 -","2","1","","Wang, Ping; Fan, Rui-Qing; Yang, Yu-Lin; Liu, Xin-Rong; Xiao, Peng; Li, Xin-Yu; Hasi, Wuliji; Cao, Wen-Wu","1-D helical chain, 2-D layered network and 3-D porous lanthanide‒organic frameworks based on multiple coordination sites of benzimidazole-5,6-dicarboxylic acid: synthesis, crystal structure, photoluminescence and thermal stability","CrystEngComm","2013","15","22","4489","","10.1039/c3ce40184g","","","0.71073","MoKα","","0.0279","0.0264","","","0.0689","0.0698","","","","","","1.05","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210145","6.482","0.002","9.848","0.003","10.907","0.004","100.004","0.003","106.484","0.003","106.293","0.003","616.1","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H10 Ho N2 O9 -","- C10 H10 Ho N2 O9 -","- C20 H20 Ho2 N4 O18 -","2","1","","Wang, Ping; Fan, Rui-Qing; Yang, Yu-Lin; Liu, Xin-Rong; Xiao, Peng; Li, Xin-Yu; Hasi, Wuliji; Cao, Wen-Wu","1-D helical chain, 2-D layered network and 3-D porous lanthanide‒organic frameworks based on multiple coordination sites of benzimidazole-5,6-dicarboxylic acid: synthesis, crystal structure, photoluminescence and thermal stability","CrystEngComm","2013","15","22","4489","","10.1039/c3ce40184g","","","0.71073","MoKα","","0.0221","0.0212","","","0.0609","0.0614","","","","","","1.117","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210146","6.733","0.002","7.45","0.003","12.049","0.004","87.684","0.004","77.44","0.004","80.434","0.003","581.7","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H8 N2 O8 Yb -","- C10 H8 N2 O8 Yb -","- C20 H16 N4 O16 Yb2 -","2","1","","Wang, Ping; Fan, Rui-Qing; Yang, Yu-Lin; Liu, Xin-Rong; Xiao, Peng; Li, Xin-Yu; Hasi, Wuliji; Cao, Wen-Wu","1-D helical chain, 2-D layered network and 3-D porous lanthanide‒organic frameworks based on multiple coordination sites of benzimidazole-5,6-dicarboxylic acid: synthesis, crystal structure, photoluminescence and thermal stability","CrystEngComm","2013","15","22","4489","","10.1039/c3ce40184g","","","0.71073","MoKα","","0.0207","0.0194","","","0.0483","0.0489","","","","","","1.063","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210147","7.501","0.007","9.435","0.009","9.706","0.009","117.238","0.01","93.257","0.011","99.498","0.011","595.5","1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H8 N2 O8 Pr -","- C10 H8 N2 O8 Pr -","- C20 H16 N4 O16 Pr2 -","2","1","","Wang, Ping; Fan, Rui-Qing; Yang, Yu-Lin; Liu, Xin-Rong; Xiao, Peng; Li, Xin-Yu; Hasi, Wuliji; Cao, Wen-Wu","1-D helical chain, 2-D layered network and 3-D porous lanthanide‒organic frameworks based on multiple coordination sites of benzimidazole-5,6-dicarboxylic acid: synthesis, crystal structure, photoluminescence and thermal stability","CrystEngComm","2013","15","22","4489","","10.1039/c3ce40184g","","","0.71073","MoKα","","0.0359","0.0298","","","0.074","0.0782","","","","","","1.008","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210148","20.6997","0.0018","5.805","0.0006","30.904","0.003","90","","104.387","0.006","90","","3597","0.6","294","2","294","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H14 F N3 O2 S -","- C21 H14 F N3 O2 S -","- C168 H112 F8 N24 O16 S8 -","8","1","","Panini, Piyush; Mohan, T. P.; Gangwar, Usma; Sankolli, Ravish; Chopra, Deepak","Quantitative crystal structure analysis of 1,3,4-thiadiazole derivatives","CrystEngComm","2013","15","22","4549","","10.1039/c3ce40278a","","","0.71073","MoKα","","0.0746","0.0508","","","0.1116","0.1224","","","","","","1.032","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7210149","20.5635","0.0007","5.8117","0.0002","32.1855","0.0011","90","","106.079","0.002","90","","3696","0.2","294","2","294","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H13 F2 N3 O2 S -","- C21 H13 F2 N3 O2 S -","- C168 H104 F16 N24 O16 S8 -","8","1","","Panini, Piyush; Mohan, T. P.; Gangwar, Usma; Sankolli, Ravish; Chopra, Deepak","Quantitative crystal structure analysis of 1,3,4-thiadiazole derivatives","CrystEngComm","2013","15","22","4549","","10.1039/c3ce40278a","","","0.71073","MoKα","","0.0628","0.0416","","","0.097","0.1063","","","","","","1.027","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7210150","8.2327","0.0016","8.8616","0.0017","13.577","0.003","87.741","0.012","85.797","0.01","73.758","0.01","948.2","0.3","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H16 F N3 O2 S -","- C22 H16 F N3 O2 S -","- C44 H32 F2 N6 O4 S2 -","2","1","","Panini, Piyush; Mohan, T. P.; Gangwar, Usma; Sankolli, Ravish; Chopra, Deepak","Quantitative crystal structure analysis of 1,3,4-thiadiazole derivatives","CrystEngComm","2013","15","22","4549","","10.1039/c3ce40278a","","","0.71073","MoKα","","0.0951","0.0488","","","0.1181","0.1412","","","","","","1.03","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7210151","8.4625","0.0004","8.7356","0.0004","13.4092","0.0006","86.664","0.003","82.318","0.003","74.281","0.003","945.39","0.08","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H16 F N3 O3 S -","- C22 H16 F N3 O3 S -","- C44 H32 F2 N6 O6 S2 -","2","1","","Panini, Piyush; Mohan, T. P.; Gangwar, Usma; Sankolli, Ravish; Chopra, Deepak","Quantitative crystal structure analysis of 1,3,4-thiadiazole derivatives","CrystEngComm","2013","15","22","4549","","10.1039/c3ce40278a","","","0.71073","MoKα","","0.0951","0.0488","","","0.0961","0.1104","","","","","","1.012","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7210152","12.876","0.003","18.938","0.004","28.202","0.006","90","","90","","90","","6877","3","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C16 H72 Cl N16 O40 V15 Zn4 -","- C16 H64 Cl N16 O40 V15 Zn4 -","- C64 H256 Cl4 N64 O160 V60 Zn16 -","4","1","","Zhou, Jian; Liu, Xing; Hu, Feilong; Chen, Rong; Zou, Huahong; Fu, Wensheng; Liang, Guoming; Chen, Yi","A novel 3-D chiral polyoxovanadate architecture based on breaking high symmetry of spherical [V15O36Cl]8− cluster","CrystEngComm","2013","15","23","4593","","10.1039/c3ce40280k","","","0.71073","MoKα","","0.0605","0.054","","","0.1528","0.1583","","","","","","1.059","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210153","3.8348","0.0009","12.718","0.003","14.067","0.003","90","","90","","90","","686.1","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H7 N O -","- C9 H7 N O -","- C36 H28 N4 O4 -","4","1","","Mukherjee, Arijit; Tothadi, Srinu; Chakraborty, Shaunak; Ganguly, Somnath; Desiraju, Gautam R.","Synthon identification in co-crystals and polymorphs with IR spectroscopy. Primary amides as a case study","CrystEngComm","2013","15","23","4640","","10.1039/c3ce40286j","","","0.71073","MoKα","","0.039","0.0354","","","0.089","0.0908","","","","","","1.04","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210154","6.9109","0.0014","12.289","0.003","12.647","0.003","112.713","0.008","93.424","0.007","103.103","0.007","951.9","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H18 N2 O6 -","- C22 H18 N2 O6 -","- C44 H36 N4 O12 -","2","1","","Mukherjee, Arijit; Tothadi, Srinu; Chakraborty, Shaunak; Ganguly, Somnath; Desiraju, Gautam R.","Synthon identification in co-crystals and polymorphs with IR spectroscopy. Primary amides as a case study","CrystEngComm","2013","15","23","4640","","10.1039/c3ce40286j","","","0.71073","MoKα","","0.0677","0.0603","","","0.1615","0.1647","","","","","","1.214","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210155","3.908","0.0006","23.78","0.004","11.839","0.002","90","","100.833","0.009","90","","1080.6","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 N2 O6 -","- C26 H22 N2 O6 -","- C52 H44 N4 O12 -","2","0.5","","Mukherjee, Arijit; Tothadi, Srinu; Chakraborty, Shaunak; Ganguly, Somnath; Desiraju, Gautam R.","Synthon identification in co-crystals and polymorphs with IR spectroscopy. Primary amides as a case study","CrystEngComm","2013","15","23","4640","","10.1039/c3ce40286j","","","0.71073","MoKα","","0.0524","0.0482","","","0.1259","0.136","","","","","","1.074","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210156","5.1396","0.0015","12.118","0.004","11.792","0.003","90","","112.482","0.011","90","","678.6","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2,6-Difluorobenzamide","","","- C7 H5 F2 N O -","- C7 H5 F2 N O -","- C28 H20 F8 N4 O4 -","4","1","","Mukherjee, Arijit; Tothadi, Srinu; Chakraborty, Shaunak; Ganguly, Somnath; Desiraju, Gautam R.","Synthon identification in co-crystals and polymorphs with IR spectroscopy. Primary amides as a case study","CrystEngComm","2013","15","23","4640","","10.1039/c3ce40286j","","","0.71073","MoKα","","0.0393","0.0355","","","0.0909","0.0934","","","","","","1.055","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210157","5.4942","0.0004","15.1735","0.001","10.498","0.0007","90","","101.707","0.001","90","","856.97","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","4-Aminopyridinium 4-nitrophenolate 4-nitrophenol","4-Aminopyridinium 4-nitrophenolate 4-nitrophenol","","- C17 H16 N4 O6 -","- C17 H16 N4 O6 -","- C34 H32 N8 O12 -","2","1","","Draguta, Sergiu; Fonari, Marina S.; Masunov, Artëm E.; Zazueta, Joel; Sullivan, Shannon; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","New acentric materials constructed from aminopyridines and 4-nitrophenol","CrystEngComm","2013","15","23","4700","","10.1039/c3ce40291f","","","0.71073","MoKα","","0.0249","0.0241","","","0.0681","0.0688","","","","","","1.058","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210158","14.0366","0.001","10.7686","0.0007","11.8026","0.0008","90","","90","","90","","1784","0.2","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","2-Amino,6-methylpyridinium 4-nitrophenolate 4-nitrophenol","2-Amino,6-methylpyridinium 4-nitrophenolate 4-nitrophenol","","- C18 H18 N4 O6 -","- C18 H18 N4 O6 -","- C72 H72 N16 O24 -","4","1","","Draguta, Sergiu; Fonari, Marina S.; Masunov, Artëm E.; Zazueta, Joel; Sullivan, Shannon; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","New acentric materials constructed from aminopyridines and 4-nitrophenol","CrystEngComm","2013","15","23","4700","","10.1039/c3ce40291f","","","0.71073","MoKα","","0.0514","0.0434","","","0.0951","0.0989","","","","","","1.091","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210159","5.5319","0.0005","15.2012","0.0015","10.6928","0.001","90","","104.581","0.002","90","","870.21","0.14","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","3,4-Diaminopyridinium 4-nitrophenolate 4-nitrophenol","3,4-Diaminopyridinium 4-nitrophenolate 4-nitrophenol","","- C17 H17 N5 O6 -","- C17 H17 N5 O6 -","- C34 H34 N10 O12 -","2","1","","Draguta, Sergiu; Fonari, Marina S.; Masunov, Artëm E.; Zazueta, Joel; Sullivan, Shannon; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","New acentric materials constructed from aminopyridines and 4-nitrophenol","CrystEngComm","2013","15","23","4700","","10.1039/c3ce40291f","","","0.71073","MoKα","","0.0391","0.0372","","","0.0993","0.101","","","","","","1.069","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210160","5.4588","0.0004","15.0882","0.0012","10.8815","0.0009","90","","104.21","0.001","90","","868.82","0.12","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","2,3-Diaminopyridinium 4-nitrophenolate 4-nitrophenol","2,3-Diaminopyridinium 4-nitrophenolate 4-nitrophenol","","- C17 H17 N5 O6 -","- C17 H17 N5 O6 -","- C34 H34 N10 O12 -","2","1","","Draguta, Sergiu; Fonari, Marina S.; Masunov, Artëm E.; Zazueta, Joel; Sullivan, Shannon; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","New acentric materials constructed from aminopyridines and 4-nitrophenol","CrystEngComm","2013","15","23","4700","","10.1039/c3ce40291f","","","0.71073","MoKα","","0.03","0.0277","","","0.0714","0.0729","","","","","","1.031","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210161","11.367","0.002","3.8092","0.0007","13.278","0.003","90","","112.892","0.003","90","","529.65","0.18","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","3-Aminopyridine 4-nitrophenol","3-Aminopyridine 4-nitrophenol","","- C11 H11 N3 O3 -","- C11 H11 N3 O3 -","- C22 H22 N6 O6 -","2","1","","Draguta, Sergiu; Fonari, Marina S.; Masunov, Artëm E.; Zazueta, Joel; Sullivan, Shannon; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","New acentric materials constructed from aminopyridines and 4-nitrophenol","CrystEngComm","2013","15","23","4700","","10.1039/c3ce40291f","","","0.71073","MoKα","","0.0579","0.0527","","","0.1347","0.1393","","","","","","1.071","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210162","5.016","0.0004","21.6277","0.0016","15.7012","0.0013","90","","90.769","0.001","90","","1703.2","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,3-Diaminopyrimidinium 4-nitrophenolate 4-nitrophenol","2,3-Diaminopyrimidinium 4-nitrophenolate 4-nitrophenol","","- C16 H16 N6 O6 -","- C16 H16 N6 O6 -","- C64 H64 N24 O24 -","4","1","","Draguta, Sergiu; Fonari, Marina S.; Masunov, Artëm E.; Zazueta, Joel; Sullivan, Shannon; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","New acentric materials constructed from aminopyridines and 4-nitrophenol","CrystEngComm","2013","15","23","4700","","10.1039/c3ce40291f","","","0.71073","MoKα","","0.0362","0.0331","","","0.085","0.0891","","","","","","1.075","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210163","16.2454","0.0005","16.2454","0.0005","26.0964","0.0009","90","","90","","90","","6887.2","0.4","293","2","293","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C148 H108 Dy8 N12 O44 Si -","- C148 H108 Dy8 N12 O44 Si -","- C296 H216 Dy16 N24 O88 Si2 -","2","0.25","","She, Shi-Xiong; Zaworotko, Michael J.; Liu, Wei; Zhang, Zhu-Xiu; Li, Yahong","A unique μ8-silicate-bridged octametallic [Dy8SiO4] complex exhibiting slow magnetic relaxation","CrystEngComm","2013","15","25","5003","","10.1039/c3ce40295a","","","1.54178","CuKα","","0.0646","0.0457","","","0.1002","0.1098","","","","","","1.072","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210164","20.44","0.005","8.974","0.003","18.728","0.005","90","","95.099","0.005","90","","3421.7","1.7","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H17 N2 O6 S Zn -","- C17 H15 N2 O6 S Zn -","- C136 H120 N16 O48 S8 Zn8 -","8","1","","Liu, Qing-Yan; Xiahou, Zuo-Juan; Wang, Yu-Ling; Li, Li-Qin; Chen, Li-Li; Fu, Yang","3D metal‒organic frameworks constructed of 2D metal aromatic sulfonate‒carboxylate layers and 1,3-di(4-pyridyl)propane pillars: syntheses, structural topologies, and luminescent properties","CrystEngComm","2013","15","24","4930","","10.1039/c3ce40315g","","","0.71073","MoKα","","0.0941","0.0688","","","0.1898","0.2076","","","","","","1.001","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210165","24.3069","0.0017","9.3535","0.0006","25.2396","0.0018","90","","101.62","0.001","90","","5620.7","0.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C57 H45 Cd4 N6 O18 S2 -","- C57 H45 Cd4 N6 O18 S2 -","- C228 H180 Cd16 N24 O72 S8 -","4","0.5","","Liu, Qing-Yan; Xiahou, Zuo-Juan; Wang, Yu-Ling; Li, Li-Qin; Chen, Li-Li; Fu, Yang","3D metal‒organic frameworks constructed of 2D metal aromatic sulfonate‒carboxylate layers and 1,3-di(4-pyridyl)propane pillars: syntheses, structural topologies, and luminescent properties","CrystEngComm","2013","15","24","4930","","10.1039/c3ce40315g","","","0.71073","MoKα","","0.0611","0.0379","","","0.0774","0.0874","","","","","","1.021","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210166","9.4493","0.0007","8.7865","0.0005","21.4735","0.0013","90","","113.836","0.005","90","","1630.8","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H36 B14 N6 O26 -","- C8 H36 B14 N6 O26 -","- C16 H72 B28 N12 O52 -","2","0.5","","Wu, Lian-Zhi; Cheng, Lin; Shen, Jin-Ni; Yang, Guo-Yu","From discrete borate cluster to three-dimensional open framework","CrystEngComm","2013","15","22","4483","","10.1039/c3ce40327k","","","0.71073","MoKα","","0.1052","0.0896","","","0.2532","0.2735","","","","","","1.071","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210167","10.066","0.003","10.325","0.003","14.786","0.005","90","","91.456","0.005","90","","1536.2","0.8","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C8 H38 Al2 B10 N6 O24 -","- C8 H38 Al2 B10 N6 O24 -","- C16 H76 Al4 B20 N12 O48 -","2","1","","Wu, Lian-Zhi; Cheng, Lin; Shen, Jin-Ni; Yang, Guo-Yu","From discrete borate cluster to three-dimensional open framework","CrystEngComm","2013","15","22","4483","","10.1039/c3ce40327k","","","0.71073","MoKα","","0.0592","0.0509","","","0.1305","0.1603","","","","","","1.05","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210168","12.548","0.002","5.2674","0.0009","27.842","0.005","90","","92.573","0.003","90","","1838.4","0.5","292","2","292","2","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","Atovaquone","trans-2-(4-(4-chlorophenyl) cyclohexyl)-3-hydroxynaphthalene-1,4-dione","","- C22 H19 Cl O3 -","- C22 H19 Cl O3 -","- C88 H76 Cl4 O12 -","4","1","","Nayak, Susanta K.; Mallik, Srijita Basu; Kanaujia, Shankar Prasad; Sekar, Kanagaraj; Ranganathan, K. R.; Ananthalakshmi, V.; Jeyaraman, G.; Saralaya, S. S.; Rao, K. Sundararaja; Shridhara, K.; Nagarajan, K.; Row, Tayur N. Guru","Crystal structures and binding studies of atovaquone and its derivatives with cytochrome bc1: a molecular basis for drug design","CrystEngComm","2013","15","24","4871","","10.1039/c3ce40336j","","x-ray","0.71073","MoKα","","0.1781","0.0796","","","0.1182","0.1427","","","","","","1.048","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210169","5.9369","0.0007","18.358","0.002","16.6699","0.0018","90","","97.334","0.002","90","","1802","0.3","292","2","292","2","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","Atovaquone","trans-2-(4-(4-chlorophenyl) cyclohexyl)-3-hydroxynaphthalene-1,4-dione","","- C22 H19 Cl O3 -","- C22 H19 Cl O3 -","- C88 H76 Cl4 O12 -","4","1","","Nayak, Susanta K.; Mallik, Srijita Basu; Kanaujia, Shankar Prasad; Sekar, Kanagaraj; Ranganathan, K. R.; Ananthalakshmi, V.; Jeyaraman, G.; Saralaya, S. S.; Rao, K. Sundararaja; Shridhara, K.; Nagarajan, K.; Row, Tayur N. Guru","Crystal structures and binding studies of atovaquone and its derivatives with cytochrome bc1: a molecular basis for drug design","CrystEngComm","2013","15","24","4871","","10.1039/c3ce40336j","","x-ray","0.71073","MoKα","","0.1274","0.055","","","0.0818","0.0989","","","","","","0.952","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210170","13.2516","0.001","10.9285","0.0009","12.6302","0.001","90","","95.45","0.001","90","","1820.8","0.2","292","2","292","2","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","cis-Atovaquone","cis -2-(4-(4-chlorophenyl)cyclohexyl)-3-hydroxynaphthalene-1,4-dione","","- C22 H19 Cl O3 -","- C22 H19 Cl O3 -","- C88 H76 Cl4 O12 -","4","1","","Nayak, Susanta K.; Mallik, Srijita Basu; Kanaujia, Shankar Prasad; Sekar, Kanagaraj; Ranganathan, K. R.; Ananthalakshmi, V.; Jeyaraman, G.; Saralaya, S. S.; Rao, K. Sundararaja; Shridhara, K.; Nagarajan, K.; Row, Tayur N. Guru","Crystal structures and binding studies of atovaquone and its derivatives with cytochrome bc1: a molecular basis for drug design","CrystEngComm","2013","15","24","4871","","10.1039/c3ce40336j","","x-ray","0.71073","MoKα","","0.0513","0.0386","","","0.0994","0.1101","","","","","","1.036","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210171","5.9504","0.0007","12.4798","0.0015","12.9769","0.0016","107.582","0.002","100.95","0.002","103.635","0.002","856.55","0.18","292","2","292","2","","","","","","","see text","3","P -1","-P 1","2","","trans- 2-(4-tert-butylcyclohexyl)-3-hydroxynaphthalene-1,4-dione","","- C20 H15 O3 -","- C20 H15 O3 -","- C40 H30 O6 -","2","1","","Nayak, Susanta K.; Mallik, Srijita Basu; Kanaujia, Shankar Prasad; Sekar, Kanagaraj; Ranganathan, K. R.; Ananthalakshmi, V.; Jeyaraman, G.; Saralaya, S. S.; Rao, K. Sundararaja; Shridhara, K.; Nagarajan, K.; Row, Tayur N. Guru","Crystal structures and binding studies of atovaquone and its derivatives with cytochrome bc1: a molecular basis for drug design","CrystEngComm","2013","15","24","4871","","10.1039/c3ce40336j","","x-ray","0.71073","MoKα","","0.1535","0.093","","","0.2532","0.2959","","","","","","0.959","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210172","14.401","0.003","5.3279","0.0009","17.393","0.003","90","","98.926","0.003","90","","1318.4","0.4","292","2","292","2","","","","","","","see text","3","P 1 21/n 1","-P 2yn","14","","2-cyclohexyl-3-hydroxynaphthalene-1,4-dione","","- C16 H16 O3 -","- C16 H16 O3 -","- C64 H64 O12 -","4","1","","Nayak, Susanta K.; Mallik, Srijita Basu; Kanaujia, Shankar Prasad; Sekar, Kanagaraj; Ranganathan, K. R.; Ananthalakshmi, V.; Jeyaraman, G.; Saralaya, S. S.; Rao, K. Sundararaja; Shridhara, K.; Nagarajan, K.; Row, Tayur N. Guru","Crystal structures and binding studies of atovaquone and its derivatives with cytochrome bc1: a molecular basis for drug design","CrystEngComm","2013","15","24","4871","","10.1039/c3ce40336j","","x-ray","0.71073","MoKα","","0.081","0.0489","","","0.1205","0.1395","","","","","","0.974","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210173","10.3671","0.0011","7.0515","0.0007","25.102","0.002","90","","99.777","0.002","90","","1808.4","0.3","292","2","292","2","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","trans -2-(4-(4-chlorophenyl)cyclohexyl)-3-chloronaphthalene-1,4-dione","","- C22 H18 Cl2 O2 -","- C22 H18 Cl2 O2 -","- C88 H72 Cl8 O8 -","4","1","","Nayak, Susanta K.; Mallik, Srijita Basu; Kanaujia, Shankar Prasad; Sekar, Kanagaraj; Ranganathan, K. R.; Ananthalakshmi, V.; Jeyaraman, G.; Saralaya, S. S.; Rao, K. Sundararaja; Shridhara, K.; Nagarajan, K.; Row, Tayur N. Guru","Crystal structures and binding studies of atovaquone and its derivatives with cytochrome bc1: a molecular basis for drug design","CrystEngComm","2013","15","24","4871","","10.1039/c3ce40336j","","x-ray","0.71073","MoKα","","0.1457","0.0635","","","0.0893","0.1129","","","","","","1.034","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210174","5.977","0.0018","12.226","0.004","13.103","0.004","103.814","0.005","90.038","0.004","95.271","0.006","925.6","0.5","292","2","292","2","","","","","","","see text","4","P -1","-P 1","2","","cis-2-(4-(4-chlorophenyl) cyclohexyl) -3-chloronaphthalene-1,4-dione","","- C22 H18 Cl2 O2 -","- C22 H18 Cl2 O2 -","- C44 H36 Cl4 O4 -","2","1","","Nayak, Susanta K.; Mallik, Srijita Basu; Kanaujia, Shankar Prasad; Sekar, Kanagaraj; Ranganathan, K. R.; Ananthalakshmi, V.; Jeyaraman, G.; Saralaya, S. S.; Rao, K. Sundararaja; Shridhara, K.; Nagarajan, K.; Row, Tayur N. Guru","Crystal structures and binding studies of atovaquone and its derivatives with cytochrome bc1: a molecular basis for drug design","CrystEngComm","2013","15","24","4871","","10.1039/c3ce40336j","","x-ray","0.71073","MoKα","","0.0859","0.0537","","","0.1361","0.1556","","","","","","1.027","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210175","11.7512","0.0016","12.7998","0.0018","13.985","0.002","75.766","0.003","67.022","0.002","83.02","0.003","1876.4","0.5","292","2","292","2","","","","","","","see text","5","P -1","-P 1","2","","cis-2-(4-(4-chlorophenyl)cyclohexyl)-3-nitronaphthalene-1,4-dione","","- C22 H18 Cl N O4 -","- C22 H18 Cl N O4 -","- C88 H72 Cl4 N4 O16 -","4","2","","Nayak, Susanta K.; Mallik, Srijita Basu; Kanaujia, Shankar Prasad; Sekar, Kanagaraj; Ranganathan, K. R.; Ananthalakshmi, V.; Jeyaraman, G.; Saralaya, S. S.; Rao, K. Sundararaja; Shridhara, K.; Nagarajan, K.; Row, Tayur N. Guru","Crystal structures and binding studies of atovaquone and its derivatives with cytochrome bc1: a molecular basis for drug design","CrystEngComm","2013","15","24","4871","","10.1039/c3ce40336j","","x-ray","0.71073","MoKα","","0.1346","0.0517","","","0.0892","0.1176","","","","","","0.945","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210176","10.6761","0.0016","10.7356","0.0016","11.9637","0.0018","69.991","0.002","77.562","0.002","60.8412","0.001","1123.2","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H16 Cu Dy N5 O12 -","- C16 H16 Cu Dy N5 O12 -","- C32 H32 Cu2 Dy2 N10 O24 -","2","1","","Chen, ChuJun; Wang, Ning; Long, Yi; Gao, JinYing; Xie, WeiPing; Ran, XingRui; Yue, ShanTang","Series of novel 3D microporous heterometallic 3d‒4f coordination frameworks with (5,6)-connected topology: synthesis, crystal structure and magnetic properties","CrystEngComm","2013","15","23","4611","","10.1039/c3ce40346g","","","0.71073","MoKα","","0.162","0.13","","","0.2726","0.2977","","","","","","1.261","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210177","10.7491","0.0016","10.7585","0.0016","11.8901","0.0018","70.146","0.002","78.016","0.002","61.03","0.001","1129.9","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H Cu Eu N5 O12 -","- C16 H16 Cu Eu N5 O12 -","- C32 H32 Cu2 Eu2 N10 O24 -","2","1","","Chen, ChuJun; Wang, Ning; Long, Yi; Gao, JinYing; Xie, WeiPing; Ran, XingRui; Yue, ShanTang","Series of novel 3D microporous heterometallic 3d‒4f coordination frameworks with (5,6)-connected topology: synthesis, crystal structure and magnetic properties","CrystEngComm","2013","15","23","4611","","10.1039/c3ce40346g","","","0.71073","MoKα","","0.0318","0.0284","","","0.0751","0.078","","","","","","1.09","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210178","10.725","0.004","10.747","0.004","11.917","0.004","70.146","0.004","77.912","0.005","60.967","0.004","1127.9","0.7","293","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H16 Cu Gd N5 O12 -","- C16 H16 Cu Gd N5 O12 -","- C32 H32 Cu2 Gd2 N10 O24 -","2","1","","Chen, ChuJun; Wang, Ning; Long, Yi; Gao, JinYing; Xie, WeiPing; Ran, XingRui; Yue, ShanTang","Series of novel 3D microporous heterometallic 3d‒4f coordination frameworks with (5,6)-connected topology: synthesis, crystal structure and magnetic properties","CrystEngComm","2013","15","23","4611","","10.1039/c3ce40346g","","","0.71073","MoKα","","0.0737","0.0575","","","0.1368","0.1488","","","","","","1.017","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210179","10.639","0.0016","10.6982","0.0016","11.9375","0.0018","70.078","0.002","77.61","0.002","60.7997","0.001","1113.1","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H Cu Ho N5 O12 -","- C16 H16 Cu Ho N5 O12 -","- C32 H32 Cu2 Ho2 N10 O24 -","2","1","","Chen, ChuJun; Wang, Ning; Long, Yi; Gao, JinYing; Xie, WeiPing; Ran, XingRui; Yue, ShanTang","Series of novel 3D microporous heterometallic 3d‒4f coordination frameworks with (5,6)-connected topology: synthesis, crystal structure and magnetic properties","CrystEngComm","2013","15","23","4611","","10.1039/c3ce40346g","","","0.71073","MoKα","","0.0485","0.0434","","","0.1083","0.1125","","","","","","1.031","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210180","10.672","0.0016","10.7194","0.0016","11.9351","0.0018","70.341","0.002","77.928","0.002","60.8544","0.001","1121.3","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H16 Cu N5 O12 Tb -","- C16 H16 Cu N5 O12 Tb -","- C32 H32 Cu2 N10 O24 Tb2 -","2","1","","Chen, ChuJun; Wang, Ning; Long, Yi; Gao, JinYing; Xie, WeiPing; Ran, XingRui; Yue, ShanTang","Series of novel 3D microporous heterometallic 3d‒4f coordination frameworks with (5,6)-connected topology: synthesis, crystal structure and magnetic properties","CrystEngComm","2013","15","23","4611","","10.1039/c3ce40346g","","","0.71073","MoKα","","0.0453","0.0395","","","0.0958","0.1013","","","","","","1.064","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210181","11.17","0.003","12.706","0.003","18.955","0.005","84.055","0.004","86.911","0.004","72.887","0.004","2556.5","1.1","187","2","187","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H48 Ag8 N24 O83 P2 W24 -","- C28 H40 Ag8 N24 O86 P2 W24 -","- C28 H40 Ag8 N24 O86 P2 W24 -","1","0.5","","Wang, Xiuli; Zhao, Dan; Tian, Aixiang; Ying, Jun","A series of 3D PW12O403−-based AgI‒bis(triazole) complexes containing different multinuclear loops: syntheses, structures and properties","CrystEngComm","2013","15","22","4516","","10.1039/c3ce40375k","","","0.71073","MoKα","","0.1393","0.11","","","0.2447","0.2538","","","","","","1.161","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210182","10.611","0.005","20.693","0.005","14.874","0.005","90","","129.67","0.02","90","","2513.9","1.7","187","2","187","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H25 Ag4 N12 O40 P W12 -","- C16 H24 Ag4 N12 O40 P W12 -","- C32 H48 Ag8 N24 O80 P2 W24 -","2","0.5","","Wang, Xiuli; Zhao, Dan; Tian, Aixiang; Ying, Jun","A series of 3D PW12O403−-based AgI‒bis(triazole) complexes containing different multinuclear loops: syntheses, structures and properties","CrystEngComm","2013","15","22","4516","","10.1039/c3ce40375k","","","0.71069","MoKα","","0.0745","0.051","","","0.1038","0.1134","","","","","","1.03","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210183","20.252","0.002","13.5088","0.0014","38.953","0.004","90","","105.07","","90","","10290.3","1.8","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H27 N6 O46 P W12 -","- C8 H12 N6 O40 P W12 -","- C64 H96 N48 O320 P8 W96 -","8","1","","Wang, Xiuli; Zhao, Dan; Tian, Aixiang; Ying, Jun","A series of 3D PW12O403−-based AgI‒bis(triazole) complexes containing different multinuclear loops: syntheses, structures and properties","CrystEngComm","2013","15","22","4516","","10.1039/c3ce40375k","","","0.71073","MoKα","","0.0658","0.0398","","","0.0711","0.0731","","","","","","1.008","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210184","13.3672","0.0011","24.45","0.002","12.1885","0.0011","90","","98.47","0.002","90","","3940.1","0.6","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H64 Ag5 N24 O40 P W12 -","- C40 H64 Ag5 N24 O40 P W12 -","- C80 H128 Ag10 N48 O80 P2 W24 -","2","0.5","","Wang, Xiuli; Zhao, Dan; Tian, Aixiang; Ying, Jun","A series of 3D PW12O403−-based AgI‒bis(triazole) complexes containing different multinuclear loops: syntheses, structures and properties","CrystEngComm","2013","15","22","4516","","10.1039/c3ce40375k","","","0.71073","MoKα","","0.0769","0.0641","","","0.1416","0.1465","","","","","","1.105","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210185","6.5711","0.0002","7.2502","0.0002","19.0229","0.0005","90","","99.665","0.001","90","","893.42","0.04","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H10 I2 S6 -","- C11 H10 I2 S6 -","- C22 H20 I4 S12 -","2","1","","Lieffrig, Julien; Pennec, Ronan Le; Jeannin, Olivier; Auban-Senzier, Pascale; Fourmigué, Marc","Toward chiral conductors: combining halogen bonding ability and chirality within a single tetrathiafulvalene molecule","CrystEngComm","2013","15","22","4408","","10.1039/c3ce40393a","","","0.71073","MoKα","","0.0373","0.026","","","0.0495","0.053","","","","","","1.048","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210186","9.6986","0.0004","26.2429","0.0008","14.5803","0.0006","90","","90","","90","","3711","0.2","293","2","293","2","","","","","","","","5","C 2 2 2","C 2 2","21","","","","- C22 H20 Cl I4 S12 -","- C22 H20 Cl I4 S12 -","- C88 H80 Cl4 I16 S48 -","4","0.5","","Lieffrig, Julien; Pennec, Ronan Le; Jeannin, Olivier; Auban-Senzier, Pascale; Fourmigué, Marc","Toward chiral conductors: combining halogen bonding ability and chirality within a single tetrathiafulvalene molecule","CrystEngComm","2013","15","22","4408","","10.1039/c3ce40393a","","","0.71073","MoKα","","0.0831","0.0453","","","0.0717","0.0823","","","","","","1.043","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210187","9.6691","0.0004","26.5929","0.0006","14.676","0.0005","90","","90","","90","","3773.6","0.2","293","2","293","2","","","","","","","","5","C 2 2 2","C 2 2","21","","","","- C22 H20 Br I4 S12 -","- C22 H20 Br I4 S12 -","- C88 H80 Br4 I16 S48 -","4","0.5","","Lieffrig, Julien; Pennec, Ronan Le; Jeannin, Olivier; Auban-Senzier, Pascale; Fourmigué, Marc","Toward chiral conductors: combining halogen bonding ability and chirality within a single tetrathiafulvalene molecule","CrystEngComm","2013","15","22","4408","","10.1039/c3ce40393a","","","0.71073","MoKα","","0.0558","0.0294","","","0.0535","0.0614","","","","","","1.067","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210188","7.213","0.003","7.213","0.003","13.987","0.01","90","","90","","90","","727.7","0.7","296","2","296","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- B O8 P2 Pb Rb -","- B O8 P2 Pb Rb -","- B4 O32 P8 Pb4 Rb4 -","4","0.25","","Wang, Ying; Pan, Shilie; Zhang, Min; Han, Shujuan; Su, Xin; Dong, Lingyun","Synthesis, crystal growth and characterization of a new noncentrosymmetric borophosphate: RbPbBP2O8","CrystEngComm","2013","15","24","4956","","10.1039/c3ce40394g","","","0.71073","MoKα","","0.0333","0.0299","","","0.0737","0.0762","","","","","","1.088","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210189","11.1835","0.0003","31.5719","0.0009","14.7373","0.0004","90","","91.632","0.001","90","","5201.4","0.2","78","2","78","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C42.75 H32 Ag F6 N12.63 O8.37 P5 -","- C42.75 H32 Ag F6 N12.629 O8.373 P5 -","- C171 H128 Ag4 F24 N50.516 O33.492 P20 -","4","1","","Ainscough, Eric W.; Brodie, Andrew M.; Davidson, Ross J.; Jameson, Geoffrey B.; Otter, Carl A.","Flexible pyridyloxy-substituted cyclotetraphosphazene platforms linked by silver(i)","CrystEngComm","2013","15","21","4379","","10.1039/c3ce40395e","","","0.71073","MoKα","","0.043","0.0378","","","0.0862","0.0904","","","","","","1.113","","","","has coordinates,has disorder","180432","2020-10-21","18:00:00",""
"7210190","24.99","0.005","14.43","0.003","15.59","0.003","90","","90.7","0.03","90","","5621.4","1.9","85","2","85","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C40 H32 Ag2 F12 N12 O8 P6 -","- C40 H32 Ag2 F12 N12 O8 P6 -","- C160 H128 Ag8 F48 N48 O32 P24 -","4","0.5","","Ainscough, Eric W.; Brodie, Andrew M.; Davidson, Ross J.; Jameson, Geoffrey B.; Otter, Carl A.","Flexible pyridyloxy-substituted cyclotetraphosphazene platforms linked by silver(i)","CrystEngComm","2013","15","21","4379","","10.1039/c3ce40395e","","","0.71073","MoKα","","0.1566","0.0721","","","0.1638","0.1988","","","","","","1.042","","","","has coordinates,has disorder","278046","2022-09-21","15:45:42",""
"7210191","8.8673","0.0013","14.964","0.002","20.803","0.004","103.983","0.006","96.807","0.006","103.934","0.006","2553.6","0.7","198","2","198","2","","","","","","","","8","P -1","-P 1","2","","","","- C42 H32 Ag2 F6 N12 O14 P4 S2 -","- C42 H32 Ag2 F6 N12 O14 P4 S2 -","- C84 H64 Ag4 F12 N24 O28 P8 S4 -","2","1","","Ainscough, Eric W.; Brodie, Andrew M.; Davidson, Ross J.; Jameson, Geoffrey B.; Otter, Carl A.","Flexible pyridyloxy-substituted cyclotetraphosphazene platforms linked by silver(i)","CrystEngComm","2013","15","21","4379","","10.1039/c3ce40395e","","","0.71073","MoKα","","0.1359","0.0784","","","0.1968","0.2259","","","","","","1.046","","","","has coordinates,has disorder","180432","2020-10-21","18:00:00",""
"7210192","8.837","0.0018","12.822","0.003","13.162","0.003","110.32","0.03","91.58","0.03","92","0.03","1396.4","0.6","200","2","200","2","","","","","","","","8","P -1","-P 1","2","","","","- C46 H32 Ag2 F6 N12 O15 P4 S2 -","- C46 H32 Ag2 F6 N12 O15 P4 S2 -","- C46 H32 Ag2 F6 N12 O15 P4 S2 -","1","0.5","","Ainscough, Eric W.; Brodie, Andrew M.; Davidson, Ross J.; Jameson, Geoffrey B.; Otter, Carl A.","Flexible pyridyloxy-substituted cyclotetraphosphazene platforms linked by silver(i)","CrystEngComm","2013","15","21","4379","","10.1039/c3ce40395e","","","0.71073","MoKα","","0.0302","0.0267","","","0.068","0.0697","","","","","","1.064","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7210193","36.803","0.002","7.3345","0.0004","27.2815","0.0016","90","","90","","90","","7364.1","0.7","198","2","198","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C56 H60 Ag3 F18 N16 O8 P7 -","- C56 H60 Ag3 F18 N16 O8 P7 -","- C224 H240 Ag12 F72 N64 O32 P28 -","4","1","","Ainscough, Eric W.; Brodie, Andrew M.; Davidson, Ross J.; Jameson, Geoffrey B.; Otter, Carl A.","Flexible pyridyloxy-substituted cyclotetraphosphazene platforms linked by silver(i)","CrystEngComm","2013","15","21","4379","","10.1039/c3ce40395e","","","0.71073","MoKα","","0.1245","0.0676","","","0.14","0.1702","","","","","","1.012","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210194","14.9201","0.0012","17.413","0.0014","17.8452","0.0014","100.983","0.004","92.204","0.004","102.358","0.004","4430.7","0.6","198","2","198","2","","","","","","","","8","P -1","-P 1","2","","","","- C60 H51 Ag4 F12 N16 O22 P4 S4 -","- C60 H51 Ag4 F12 N16 O22 P4 S4 -","- C120 H102 Ag8 F24 N32 O44 P8 S8 -","2","1","","Ainscough, Eric W.; Brodie, Andrew M.; Davidson, Ross J.; Jameson, Geoffrey B.; Otter, Carl A.","Flexible pyridyloxy-substituted cyclotetraphosphazene platforms linked by silver(i)","CrystEngComm","2013","15","21","4379","","10.1039/c3ce40395e","","","0.71073","MoKα","","0.1003","0.0507","","","0.1304","0.15","","","","","","0.965","","","","has coordinates,has disorder","180432","2020-10-21","18:00:00",""
"7210195","27.618","0.003","27.618","0.003","27.618","0.003","90","","90","","90","","21066","4","296","2","296","2","","","","","","","","7","I a -3","-I 2b 2c 3","206","","","","- C12 H76 B18 Cu3 N9 O73.5 V12 -","- C12 H45 B18 Cu3 N9 O73.5 V12 -","- C96 H360 B144 Cu24 N72 O588 V96 -","8","0.166667","","Zhou, Jian; Liu, Xing; Chen, Rong; Xiao, Hong-Ping; Hu, Feilong; Zou, Huahong; Zhou, Yun; Liu, Chun; Zhu, Ligang","New 3-D polyoxovanadoborate architectures based on [V12B18O60]16− clusters","CrystEngComm","2013","15","25","5057","","10.1039/c3ce40428e","","","0.71073","MoKα","","0.0901","0.0559","","","0.1488","0.1888","","","","","","1.181","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210196","14.083","0.003","17.226","0.003","18.264","0.006","90","","128.755","0.019","90","","3455.2","1.7","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C8 H62 B18 N6 Na6 O73 V12 -","- C8 H40 B18 N6 Na6 O73 V12 -","- C16 H80 B36 N12 Na12 O146 V24 -","2","0.5","","Zhou, Jian; Liu, Xing; Chen, Rong; Xiao, Hong-Ping; Hu, Feilong; Zou, Huahong; Zhou, Yun; Liu, Chun; Zhu, Ligang","New 3-D polyoxovanadoborate architectures based on [V12B18O60]16− clusters","CrystEngComm","2013","15","25","5057","","10.1039/c3ce40428e","","","0.71073","MoKα","","0.0349","0.0313","","","0.0922","0.0953","","","","","","1.079","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210197","11.333","0.0007","15.2656","0.001","15.6223","0.001","98.946","0.003","101.634","0.003","90.142","0.003","2613.4","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H34 Co4 N4 O37 -","- C44 H16 Co4 N4 O36.94 -","- C88 H32 Co8 N8 O73.88 -","2","1","","Li, Meng-Yuan; Sevov, Slavi C.","Mellitate-based coordination polymers with a recurring motif: controlling dimensionality with secondary ligands","CrystEngComm","2013","15","25","5107","","10.1039/c3ce40442k","","","0.71073","MoKα","","0.1082","0.0603","","","0.1469","0.1703","","","","","","1.018","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210198","32.197","0.004","15.2214","0.0016","11.3816","0.0012","90","","90","","90","","5577.9","1.1","120","2","120","2","","","","","","","","5","C m c a","-C 2ac 2","64","Co-bpy-mellitate","","","- C11 H11.5 Co N O9.27 -","- C11 H11 Co N O9.266 -","- C176 H176 Co16 N16 O148.256 -","16","","","Li, Meng-Yuan; Sevov, Slavi C.","Mellitate-based coordination polymers with a recurring motif: controlling dimensionality with secondary ligands","CrystEngComm","2013","15","25","5107","","10.1039/c3ce40442k","","","0.71073","MoKα","","0.0513","0.0353","","","0.0849","0.0927","","","","","","1.04","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210199","19.986","0.003","11.382","0.002","15.228","0.004","90","","92.43","0.03","90","","3461","1.2","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Co-tpt-mel","","","- C30 H27 Co2 N6 O18.65 -","- C30 H24 Co2 N6 O18.646 -","- C120 H96 Co8 N24 O74.584 -","4","1","","Li, Meng-Yuan; Sevov, Slavi C.","Mellitate-based coordination polymers with a recurring motif: controlling dimensionality with secondary ligands","CrystEngComm","2013","15","25","5107","","10.1039/c3ce40442k","","","0.71073","MoKα","","0.0806","0.0486","","","0.1023","0.1177","","","","","","1.114","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210200","12.8567","0.0003","8.9378","0.0002","16.0555","0.0004","90","","101.613","0.002","90","","1807.18","0.07","291","2","291.15","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C16 H14 Cd2 O12 -","- C16 H12 Cd2 O12 -","- C64 H48 Cd8 O48 -","4","1","","Lou, Xin-Hua; Xu, Chen; Li, Hong-Mei; Wang, Zhi-Qiang; Guo, Hui; Xue, Dong-Xu","Metal-directed topological diversity of three fluorescent metal‒organic frameworks based on a new tetracarboxylate strut","CrystEngComm","2013","15","23","4606","","10.1039/c3ce40443a","","","0.7107","MoKα","","0.0381","0.0301","","","0.0624","0.0661","","","","","","1.069","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210201","10.1447","0.0007","13.8559","0.0009","26.1423","0.0017","90","","90","","90","","3674.7","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H42 N4 O12 Pb2 -","- C32 H42 N4 O12 Pb2 -","- C128 H168 N16 O48 Pb8 -","4","1","","Lou, Xin-Hua; Xu, Chen; Li, Hong-Mei; Wang, Zhi-Qiang; Guo, Hui; Xue, Dong-Xu","Metal-directed topological diversity of three fluorescent metal‒organic frameworks based on a new tetracarboxylate strut","CrystEngComm","2013","15","23","4606","","10.1039/c3ce40443a","","","0.71073","MoKα","","0.0303","0.0271","","","0.0666","0.068","","","","","","1.046","","","","has coordinates,has disorder","180433","2020-10-21","18:00:00",""
"7210202","12.213","0.005","14.723","0.006","8.994","0.004","90","","108.105","0.004","90","","1537.2","1.1","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H6 O8 Zn2 -","- C16 H6 O8 Zn2 -","- C64 H24 O32 Zn8 -","4","0.5","","Lou, Xin-Hua; Xu, Chen; Li, Hong-Mei; Wang, Zhi-Qiang; Guo, Hui; Xue, Dong-Xu","Metal-directed topological diversity of three fluorescent metal‒organic frameworks based on a new tetracarboxylate strut","CrystEngComm","2013","15","23","4606","","10.1039/c3ce40443a","","","0.71073","MoKα","","0.0278","0.0222","","","0.0496","0.0518","","","","","","1.052","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210203","4.0678","0.0001","16.2705","0.0006","14.8387","0.0005","90","","96.127","0.002","90","","976.49","0.05","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis-(2-amino-5-iodopyridinium) diaquatrichlorocuprate chloride","","- C10 H16 Cl4 Cu I2 N4 O2 -","- C10 H16 Cl4 Cu I2 N4 O2 -","- C20 H32 Cl8 Cu2 I4 N8 O4 -","2","0.5","","Abdalrahman, Mahmoud A.; Awwadi, Firas F.; Jameson, Geoffrey B.; Landee, Christopher P.; Saunders, Christopher G.; Turnbull, Mark M.; Wikaira, Jan L.","Effects of halogen and hydrogen bonding on defect disorder: the ladder that wasn't there","CrystEngComm","2013","15","21","4309","","10.1039/c3ce40444g","","","0.71073","MoKα","","0.0221","0.0189","","","0.0423","0.0435","","","","","","1.055","","","","has coordinates,has disorder","180433","2020-10-21","18:00:00",""
"7210204","4.1214","0.0005","16.791","0.002","13.5186","0.0013","90","","92.598","0.01","90","","934.56","0.18","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis(3-iodopyridinium) diaquatrichlorocuprate chloride","","- C10 H14 Cl4 Cu I2 N2 O2 -","- C10 H14 Cl4 Cu I2 N2 O2 -","- C20 H28 Cl8 Cu2 I4 N4 O4 -","2","0.5","","Abdalrahman, Mahmoud A.; Awwadi, Firas F.; Jameson, Geoffrey B.; Landee, Christopher P.; Saunders, Christopher G.; Turnbull, Mark M.; Wikaira, Jan L.","Effects of halogen and hydrogen bonding on defect disorder: the ladder that wasn't there","CrystEngComm","2013","15","21","4309","","10.1039/c3ce40444g","","","0.71073","MoKα","","0.0707","0.0458","","","0.0579","0.0636","","","","","","1.019","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7210205","8.1232","0.0003","8.9577","0.0004","13.9151","0.0007","79.998","0.002","78.419","0.001","85.351","0.002","975.73","0.08","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","Bis(5-amino-2-iodopyridinium) diaquotrichlorocuprate chloride","","- C10 H16 Cl4 Cu I2 N4 O2 -","- C10 H15.2604 Cl4 Cu I2 N4 O2 -","- C20 H30.5208 Cl8 Cu2 I4 N8 O4 -","2","1","","Abdalrahman, Mahmoud A.; Awwadi, Firas F.; Jameson, Geoffrey B.; Landee, Christopher P.; Saunders, Christopher G.; Turnbull, Mark M.; Wikaira, Jan L.","Effects of halogen and hydrogen bonding on defect disorder: the ladder that wasn't there","CrystEngComm","2013","15","21","4309","","10.1039/c3ce40444g","","","0.71073","MoKα","","0.0298","0.0234","","","0.0488","0.0511","","","","","","1.088","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210206","7.948","0.002","16.162","0.005","14.896","0.004","90","","95.18","0.004","90","","1905.7","0.9","163","2","163","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Bis(2-amino-5-bromopyridinium) diaquatrichlorocuprate chloride","","- C10 H16 Br2 Cl4 Cu N4 O2 -","- C10 H15.8368 Br2 Cl4 Cu N4 O2 -","- C40 H63.3472 Br8 Cl16 Cu4 N16 O8 -","4","1","","Abdalrahman, Mahmoud A.; Awwadi, Firas F.; Jameson, Geoffrey B.; Landee, Christopher P.; Saunders, Christopher G.; Turnbull, Mark M.; Wikaira, Jan L.","Effects of halogen and hydrogen bonding on defect disorder: the ladder that wasn't there","CrystEngComm","2013","15","21","4309","","10.1039/c3ce40444g","","","0.71073","MoKα","","0.0363","0.0225","","","0.0492","0.0521","","","","","","0.942","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210207","11.2132","0.0008","15.3143","0.0011","19.9458","0.0015","90","","92.798","0.001","90","","3421.1","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 Au2 Br4 O4 P2 S4 -","- C22 H28 Au2 Br4 O4 P2 S4 -","- C88 H112 Au8 Br16 O16 P8 S16 -","4","1","","Pillay, Michael N.; Omondi, Bernard; Staples, Richard J.; van Zyl, Werner E.","A hexanuclear gold(i) metallatriangle derived from a chiral dithiophosphate: synthesis, structure, luminescence and oxidative bromination reactivity","CrystEngComm","2013","15","22","4417","","10.1039/c3ce40496j","","x-ray","0.71073","MoKα","","0.0469","0.0299","","","0.0617","0.0673","","","","","","1.019","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210208","26.7928","0.0018","26.7928","0.0018","54.09","0.004","90","","90","","90","","38829","5","173","2","173","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C67 H86 Au6 Cl2 O12 P6 S12 -","- C67 H86 Au6 Cl2 O12 P6 S12 -","- C1072 H1376 Au96 Cl32 O192 P96 S192 -","16","1","","Pillay, Michael N.; Omondi, Bernard; Staples, Richard J.; van Zyl, Werner E.","A hexanuclear gold(i) metallatriangle derived from a chiral dithiophosphate: synthesis, structure, luminescence and oxidative bromination reactivity","CrystEngComm","2013","15","22","4417","","10.1039/c3ce40496j","","","0.71073","MoKα","","0.059","0.0357","","","0.0911","0.1045","","","","","","1.061","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210209","12.85","0.002","14.293","0.003","18.304","0.003","77.112","0.003","85.209","0.003","69.054","0.003","3060.5","0.9","100","2","100","2","","","","","","","see text","7","P -1","-P 1","2","","","","- C50 H32 Ag3 F18 N13 O12 S6 -","- C50 H32 Ag3 F18 N13 O12 S6 -","- C100 H64 Ag6 F36 N26 O24 S12 -","2","1","","Türkmen, Yunus E.; Sen, Saikat; Rawal, Viresh H.","Stacks and clips: Uncanny similarities in the modes of self-assembly in tenary Ag(I) complexes with 1,2-diazines and chelating heteroarenes.","CrystEngComm / RSC","2013","2013","21","4221","4224","10.1039/C3CE40500A","","","0.71073","MoKa","","0.09","0.0498","","","0.0848","0.0924","","","","","","0.801","","","","has coordinates,has disorder","180433","2020-10-21","18:00:00",""
"7210210","13.259","0.002","23.277","0.004","16.617","0.003","90","","110.187","0.003","90","","4813.5","1.4","100","2","100","2","","","","","","","see text","8","P 1 21/c 1","-P 2ybc","14","","","","- C39 H28 Ag2 Cl2 F12 N10 O8 S4 -","- C39 H28 Ag2 Cl2 F12 N10 O8 S4 -","- C156 H112 Ag8 Cl8 F48 N40 O32 S16 -","4","1","","Türkmen, Yunus E.; Sen, Saikat; Rawal, Viresh H.","Stacks and clips: Uncanny similarities in the modes of self-assembly in tenary Ag(I) complexes with 1,2-diazines and chelating heteroarenes.","CrystEngComm / RSC","2013","2013","21","4221","4224","10.1039/C3CE40500A","","","0.71073","MoKa","","0.0747","0.0484","","","0.0922","0.0982","","","","","","0.957","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210211","18.812","0.0019","22.261","0.002","20.92","0.002","90","","110.691","0.002","90","","8195.7","1.4","100","2","100","2","","","","","","","see text","7","P 1 21/n 1","-P 2yn","14","","","","- C64 H42 Ag4 F24 N18 O16 S8 -","- C64 H42 Ag4 F24 N18 O16 S8 -","- C256 H168 Ag16 F96 N72 O64 S32 -","4","1","","Türkmen, Yunus E.; Sen, Saikat; Rawal, Viresh H.","Stacks and clips: Uncanny similarities in the modes of self-assembly in tenary Ag(I) complexes with 1,2-diazines and chelating heteroarenes.","CrystEngComm / RSC","2013","2013","21","4221","4224","10.1039/C3CE40500A","","","0.71073","MoKa","","0.0754","0.0463","","","0.0866","0.1002","","","","","","0.901","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210212","20.635","0.007","22.481","0.007","13.652","0.005","90","","124.337","0.009","90","","5229","3","100","2","100","2","","","","","","","see text","7","C 1 2/c 1","-C 2yc","15","","","","- C23 H14 Ag F6 N6 O4 S2 -","- C23 H14 Ag F6 N6 O4 S2 -","- C184 H112 Ag8 F48 N48 O32 S16 -","8","1","","Türkmen, Yunus E.; Sen, Saikat; Rawal, Viresh H.","Stacks and clips: Uncanny similarities in the modes of self-assembly in tenary Ag(I) complexes with 1,2-diazines and chelating heteroarenes.","CrystEngComm / RSC","2013","2013","21","4221","4224","10.1039/C3CE40500A","","","0.71073","MoKa","","0.1071","0.084","","","0.2025","0.2169","","","","","","1.055","","","","has coordinates,has disorder","180433","2020-10-21","18:00:00",""
"7210213","31.5","0.007","12.412","0.003","7.016","0.002","90","","90","","90","","2743.1","1.2","298","2","298","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","2,4-Diamino-6-phenyl-1,3,5-triazine+1,3-Phenylenediacetic acid","","- C28 H28 N10 O4 -","- C28 H28 N10 O4 -","- C112 H112 N40 O16 -","4","0.5","","Delori, Amit; Suresh, Eringathodi; Pedireddi, V. R.","Influence of molecular shape on the design and synthesis of supramolecular assemblies","CrystEngComm","2013","15","24","4811","","10.1039/c3ce40501j","","","0.71073","MoKα","","0.0721","0.0642","","","0.1617","0.1686","","","","","","1.106","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210214","12.405","0.004","6.948","0.002","31.402","0.011","90","","90","","90","","2706.5","1.5","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,4-Diamino-6-phenyl-1,3,5-triazine+1,4-Phenylenediacetic acid","","- C28 H28 N10 O4 -","- C28 H28 N10 O4 -","- C112 H112 N40 O16 -","4","0.5","","Delori, Amit; Suresh, Eringathodi; Pedireddi, V. R.","Influence of molecular shape on the design and synthesis of supramolecular assemblies","CrystEngComm","2013","15","24","4811","","10.1039/c3ce40501j","","","0.71073","MoKα","","0.075","0.0685","","","0.1856","0.1904","","","","","","1.292","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210215","8.504","0.006","10.199","0.007","10.258","0.007","108.53","0.01","91.79","0.01","92.96","0.01","841.4","1","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","2,4-Diamino-6-phenyl-1,3,5-triazine+Isophthalic Acid","","- C17 H15 N5 O4 -","- C17 H15 N5 O4 -","- C34 H30 N10 O8 -","2","1","","Delori, Amit; Suresh, Eringathodi; Pedireddi, V. R.","Influence of molecular shape on the design and synthesis of supramolecular assemblies","CrystEngComm","2013","15","24","4811","","10.1039/c3ce40501j","","","0.71073","MoKα","","0.1127","0.0594","","","0.1387","0.1886","","","","","","0.973","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210216","7.162","0.002","10.042","0.002","12.835","0.003","68.27","0.01","85.45","0.01","71.46","0.01","812.2","0.3","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","2,4-Diamino-6-phenyl-1,3,5-triazine+Phthalic Acid","","- C17 H15 N5 O4 -","- C17 H15 N5 O4 -","- C34 H30 N10 O8 -","2","1","","Delori, Amit; Suresh, Eringathodi; Pedireddi, V. R.","Influence of molecular shape on the design and synthesis of supramolecular assemblies","CrystEngComm","2013","15","24","4811","","10.1039/c3ce40501j","","","0.71073","MoKα","","0.1222","0.0639","","","0.1624","0.2119","","","","","","1.012","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210217","9.821","0.003","7.135","0.002","12.126","0.002","90","","116.6","0.02","90","","759.8","0.4","298","2","298","2","","","","","","","","4","P 1 c 1","P -2yc","7","","2,4-Diamino-6-phenyl-1,3,5-triazine+benzoic acid","","- C16 H15 N5 O2 -","- C16 H15 N5 O2 -","- C32 H30 N10 O4 -","2","1","","Delori, Amit; Suresh, Eringathodi; Pedireddi, V. R.","Influence of molecular shape on the design and synthesis of supramolecular assemblies","CrystEngComm","2013","15","24","4811","","10.1039/c3ce40501j","","","0.71073","MoKα","","0.0931","0.0869","","","0.2169","0.2213","","","","","","1.576","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210218","29.943","0.001","7.007","0.002","12.152","0.004","90","","107.78","0.01","90","","2427.8","1.1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,4-Diamino-6-phenyl-1,3,5-triazine+terephthalic acid","","- C26 H24 N10 O4 -","- C26 H24 N10 O4 -","- C104 H96 N40 O16 -","4","0.5","","Delori, Amit; Suresh, Eringathodi; Pedireddi, V. R.","Influence of molecular shape on the design and synthesis of supramolecular assemblies","CrystEngComm","2013","15","24","4811","","10.1039/c3ce40501j","","","0.71073","MoKα","","0.1085","0.0871","","","0.2998","0.3098","","","","","","2.037","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210219","13.777","0.004","12.017","0.003","18.451","0.005","90","","101.02","0.004","90","","2998.4","1.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 Cd2 N4 O16 -","- C26 H28 Cd2 N4 O16 -","- C104 H112 Cd8 N16 O64 -","4","0.5","","Xiong, Zhifang; Shi, Bingbing; Li, Li; Zhu, Yanyan; Li, Gang","Construction of transition-metal coordination polymers using multifunctional imidazole dicarboxylates as spacers","CrystEngComm","2013","15","24","4885","","10.1039/c3ce40511g","","","0.71073","MoKα","","0.0226","0.021","","","0.0825","0.0836","","","","","","1.219","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210220","11.949","0.002","16.406","0.003","12.63","0.002","90","","117.449","0.002","90","","2197.2","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H18 N4 O6 Zn -","- C25 H18 N4 O6 Zn -","- C100 H72 N16 O24 Zn4 -","4","1","","Xiong, Zhifang; Shi, Bingbing; Li, Li; Zhu, Yanyan; Li, Gang","Construction of transition-metal coordination polymers using multifunctional imidazole dicarboxylates as spacers","CrystEngComm","2013","15","24","4885","","10.1039/c3ce40511g","","","0.71073","MoKα","","0.0406","0.0345","","","0.0897","0.0932","","","","","","1.047","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210221","16.82","0.005","16.82","0.005","18.022","0.006","90","","90","","90","","5099","3","298","2","298","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C26 H22 N4 O12 Sr -","- C26 H22 N4 O12 Sr -","- C208 H176 N32 O96 Sr8 -","8","0.5","","Xiong, Zhifang; Shi, Bingbing; Li, Li; Zhu, Yanyan; Li, Gang","Construction of transition-metal coordination polymers using multifunctional imidazole dicarboxylates as spacers","CrystEngComm","2013","15","24","4885","","10.1039/c3ce40511g","","","0.71073","MoKα","","0.1443","0.0763","","","0.159","0.1995","","","","","","1.106","","","","has coordinates,has disorder","180433","2020-10-21","18:00:00",""
"7210222","25.1437","0.0013","25.1437","0.0013","14.5663","0.0015","90","","90","","120","","7975.1","1","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C24 H30 Mn3 N4 O18 -","- C24 H30 Mn3 N4 O18 -","- C216 H270 Mn27 N36 O162 -","9","0.5","","Xiong, Zhifang; Shi, Bingbing; Li, Li; Zhu, Yanyan; Li, Gang","Construction of transition-metal coordination polymers using multifunctional imidazole dicarboxylates as spacers","CrystEngComm","2013","15","24","4885","","10.1039/c3ce40511g","","","0.71073","MoKα","","0.1137","0.0808","","","0.2299","0.2531","","","","","","1.1","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210223","13.9799","0.0008","14.9811","0.0005","14.9811","0.0005","110.785","0.001","108.123","0.002","108.123","0.001","2454.3","0.19","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H0 N12 O60 Zn9 -","- C72 H90 N12 O60 Zn9 -","- C72 H90 N12 O60 Zn9 -","1","0.5","","Xiong, Zhifang; Shi, Bingbing; Li, Li; Zhu, Yanyan; Li, Gang","Construction of transition-metal coordination polymers using multifunctional imidazole dicarboxylates as spacers","CrystEngComm","2013","15","24","4885","","10.1039/c3ce40511g","","","0.71073","MoKα","","0.214","0.1162","","","0.3007","0.3458","","","","","","1.068","","","","has coordinates,has disorder","180433","2020-10-21","18:00:00",""
"7210224","12.24","0.002","13.285","0.003","33.139","0.007","98.09","0.03","91.58","0.03","106.32","0.03","5107","2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H92 Ba2 N11 O57 V15 -","- C55 H91.6 Ba2 N11 O57 V15 -","- C110 H183.2 Ba4 N22 O114 V30 -","2","1","","Kastner, Katharina; Streb, Carsten","Solvent-shielding allows the self-assembly of supramolecular 1D barium vanadate chains","CrystEngComm","2013","15","24","4948","","10.1039/c3ce40536b","","x-ray","0.71073","MoKα","","0.0938","0.057","","","0.1281","0.1411","","","","","","1.054","","","","has coordinates,has disorder","180433","2020-10-21","18:00:00",""
"7210225","11.34","0.002","11.638","0.002","12.492","0.003","104.74","0.03","103.04","0.03","107.93","0.03","1431.8","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H54 Ba2 N8 O36 V10 -","- C24 H54 Ba2 N8 O36 V10 -","- C24 H54 Ba2 N8 O36 V10 -","1","0.5","","Kastner, Katharina; Streb, Carsten","Solvent-shielding allows the self-assembly of supramolecular 1D barium vanadate chains","CrystEngComm","2013","15","24","4948","","10.1039/c3ce40536b","","x-ray","0.71073","MoKα","","0.077","0.0503","","","0.1138","0.1261","","","","","","1.03","","","","has coordinates,has disorder","180433","2020-10-21","18:00:00",""
"7210226","16.9317","0.0008","16.9317","0.0008","22.0782","0.0019","90","","90","","120","","5481.4","0.6","291","2","291","2","","","","","","","","8","P 63/m","-P 6c","176","","","","- C72 H76 Cl3 Cu7 N24 O8 S8 W2 -","- C72 H75.96 Cl3 Cu7 N24 O8 S8 W2 -","- C144 H151.92 Cl6 Cu14 N48 O16 S16 W4 -","2","0.166667","","Qin, Ling; Pan, Zhaorui; Qian, Liwu; Li, Yizhi; Guo, Zijian; Zheng, Hegen","Anion-selectivity of cationic cluster‒organic nanospheres based on a nest-shaped [MS4Cu3X3] clustermonomer with a ditopic ligand","CrystEngComm","2013","15","25","5016","","10.1039/c3ce40542g","","","0.71073","MoKα","","0.073","0.048","","","0.0907","0.0953","","","","","","1.05","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7210227","16.817","0.002","16.817","0.002","22.226","0.006","90","","90","","120","","5443.6","1.7","291","2","291","2","","","","","","","","8","P 63/m","-P 6c","176","","","","- C72 H76 Cl3 Cu7 Mo2 N24 O8 S8 -","- C72 H75.9996 Cl3 Cu7 Mo2 N24 O8 S8 -","- C144 H151.999 Cl6 Cu14 Mo4 N48 O16 S16 -","2","0.166667","","Qin, Ling; Pan, Zhaorui; Qian, Liwu; Li, Yizhi; Guo, Zijian; Zheng, Hegen","Anion-selectivity of cationic cluster‒organic nanospheres based on a nest-shaped [MS4Cu3X3] clustermonomer with a ditopic ligand","CrystEngComm","2013","15","25","5016","","10.1039/c3ce40542g","","","0.71073","MoKα","","0.0653","0.0514","","","0.1257","0.132","","","","","","1.094","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210228","17.0636","0.0014","17.0636","0.0014","22.372","0.003","90","","90","","120","","5641.3","1","291","2","291","2","","","","","","","","8","P 63/m","-P 6c","176","","","","- C72 H74 Br3 Cu7 N24 O7 S8 W2 -","- C72 H74.0004 Br3 Cu7 N24 O7 S8 W2 -","- C144 H148.001 Br6 Cu14 N48 O14 S16 W4 -","2","0.166667","","Qin, Ling; Pan, Zhaorui; Qian, Liwu; Li, Yizhi; Guo, Zijian; Zheng, Hegen","Anion-selectivity of cationic cluster‒organic nanospheres based on a nest-shaped [MS4Cu3X3] clustermonomer with a ditopic ligand","CrystEngComm","2013","15","25","5016","","10.1039/c3ce40542g","","","0.71073","MoKα","","0.0837","0.0542","","","0.1097","0.1186","","","","","","1.077","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210229","8.3985","0.0017","9.819","0.002","10.245","0.002","70.94","0.03","81.82","0.03","72.29","0.03","759.8","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H9 F4 O2 -","- C21 H9 F4 O2 -","- C42 H18 F8 O4 -","2","1","","Chen, Hao; Gao, Fan; Yao, Erdong; Chen, Qi; Ma, Yuguo","Rapid mechanochemical preparation of a sandwich-like charge transfer complex","CrystEngComm","2013","15","22","4413","","10.1039/c3ce40585k","","","0.71073","MoKα","","0.0824","0.0677","","","0.1663","0.1797","","","","","","1.12","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210230","4.3337","0.0002","4.3337","0.0002","40.9103","0.0019","90","","90","","120","","665.4","0.05","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Bi2 Mn Te4 -","- Bi2 Mn Te4 -","- Bi6 Mn3 Te12 -","3","0.0833333","","Lee, Dong Sun; Kim, Tae-Hoon; Park, Cheol-Hee; Chung, Chan-Yeup; Lim, Young Soo; Seo, Won-Seon; Park, Hyung-Ho","Crystal structure, properties and nanostructuring of a new layered chalcogenide semiconductor, Bi2MnTe4","CrystEngComm","2013","15","27","5532","","10.1039/c3ce40643a","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210232","13.4164","0.0008","15.4139","0.0009","15.0463","0.0009","90","","112.966","0.001","90","","2864.9","0.3","291","2","291","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","catena-(Diaqua-(mu-5-methoxy-isophtalato-O,O'')-bis- (N,N,N',N'-tetramethylethylen","","","- C21 H39 Cl Cu2 N4 O10 -","- C21 H39 Cl Cu2 N4 O10 -","- C84 H156 Cl4 Cu8 N16 O40 -","4","1","","Dorazco-González, Alejandro; Martinez-Vargas, Sergio; Hernández-Ortega, Simón; Valdés-Martínez, Jesús","Directed self-assembly of mono and dinuclear copper(ii) isophthalates into 1D polymeric structures. Design and an unusual cocrystallization","CrystEngComm","2013","15","30","5961","","10.1039/c3ce00044c","","","0.71073","MoKα","","0.0633","0.038","","","0.0695","0.0743","","","","","","0.821","","","","has coordinates,has disorder","180433","2020-10-21","18:00:00",""
"7210233","13.4464","0.0009","15.6975","0.0011","13.9301","0.001","90","","111.165","0.002","90","","2742","0.3","291","2","291","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","catena-(Diaqua-(mu-isophtalato-O,O'')-bis-(N,N,N',N'- tetramethylethylendiamine)-d","","","- C20 H36 Cl Cu2 N4 O9 -","- C20 H36 Cl Cu2 N4 O9 -","- C80 H144 Cl4 Cu8 N16 O36 -","4","1","","Dorazco-González, Alejandro; Martinez-Vargas, Sergio; Hernández-Ortega, Simón; Valdés-Martínez, Jesús","Directed self-assembly of mono and dinuclear copper(ii) isophthalates into 1D polymeric structures. Design and an unusual cocrystallization","CrystEngComm","2013","15","30","5961","","10.1039/c3ce00044c","","","0.71073","MoKα","","0.1536","0.1102","","","0.1944","0.2111","","","","","","1.264","","","","has coordinates,has disorder","180433","2020-10-21","18:00:00",""
"7210234","13.4288","0.0007","15.5866","0.0008","14.6967","0.0008","90","","111.897","0.001","90","","2854.2","0.3","291","2","291","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","catena-(Diaqua-(mu-5-nitroisophtalato-O,O'')-bis-(N,N,N',N'- tetramethylethylendia","","","- C20 H36 Cl Cu2 N5 O11 -","- C20 H36 Cl Cu2 N5 O11 -","- C80 H144 Cl4 Cu8 N20 O44 -","4","1","","Dorazco-González, Alejandro; Martinez-Vargas, Sergio; Hernández-Ortega, Simón; Valdés-Martínez, Jesús","Directed self-assembly of mono and dinuclear copper(ii) isophthalates into 1D polymeric structures. Design and an unusual cocrystallization","CrystEngComm","2013","15","30","5961","","10.1039/c3ce00044c","","","0.71073","MoKα","","0.0627","0.0391","","","0.0777","0.0818","","","","","","0.854","","","","has coordinates,has disorder","180433","2020-10-21","18:00:00",""
"7210235","27.4967","0.0015","15.6562","0.0009","15.3494","0.0009","90","","120.473","0.001","90","","5695.1","0.6","291","2","291","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","catena-(Diaqua-(mu-5-aminoisophtalato-O,O'')-bis-(N,N,N',N'- tetramethylethylendia","","","- C20 H38 Cl Cu2 N5 O9 -","- C20 H38 Cl Cu2 N5 O9 -","- C160 H304 Cl8 Cu16 N40 O72 -","8","1","","Dorazco-González, Alejandro; Martinez-Vargas, Sergio; Hernández-Ortega, Simón; Valdés-Martínez, Jesús","Directed self-assembly of mono and dinuclear copper(ii) isophthalates into 1D polymeric structures. Design and an unusual cocrystallization","CrystEngComm","2013","15","30","5961","","10.1039/c3ce00044c","","","0.71073","MoKα","","0.0666","0.0416","","","0.0923","0.0973","","","","","","0.904","","","","has coordinates,has disorder","180433","2020-10-21","18:00:00",""
"7210236","6.8445","0.0003","15.0636","0.0008","16.1247","0.0008","90","","98.489","0.001","90","","1644.29","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","catena-(Aqua-(mu-isophtalato-O,O'')-N,N,N',N'- tetramethylethylen diamine)-copper(ii))","catena-[Aqua-(μ-isophtalato-O,O"")-N,N,N',N'-tetramethylethylen diamine)-copper(ii)]","","- C14 H22 Cu N2 O5 -","- C14 H22 Cu N2 O5 -","- C56 H88 Cu4 N8 O20 -","4","1","","Dorazco-González, Alejandro; Martinez-Vargas, Sergio; Hernández-Ortega, Simón; Valdés-Martínez, Jesús","Directed self-assembly of mono and dinuclear copper(ii) isophthalates into 1D polymeric structures. Design and an unusual cocrystallization","CrystEngComm","2013","15","30","5961","","10.1039/c3ce00044c","","","0.71073","MoKα","","0.0399","0.0348","","","0.0974","0.1002","","","","","","0.993","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210237","13.3966","0.0008","11.9465","0.0007","24.1319","0.0014","90","","100.382","0.001","90","","3798.9","0.4","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","catena-(Aqua-(mu-Tetrafluoroisophtalato-O,O'')-(N,N,N',N'- tetramethylethylendiami","","","- C28 H40 Cu2 F8 N4 O12 -","- C28 H40 Cu2 F8 N4 O12 -","- C112 H160 Cu8 F32 N16 O48 -","4","1","","Dorazco-González, Alejandro; Martinez-Vargas, Sergio; Hernández-Ortega, Simón; Valdés-Martínez, Jesús","Directed self-assembly of mono and dinuclear copper(ii) isophthalates into 1D polymeric structures. Design and an unusual cocrystallization","CrystEngComm","2013","15","30","5961","","10.1039/c3ce00044c","","","0.71073","MoKα","","0.0485","0.0351","","","0.0795","0.083","","","","","","0.906","","","","has coordinates,has disorder","180433","2020-10-21","18:00:00",""
"7210238","10.232","0.003","14.433","0.004","22.709","0.006","90","","90","","90","","3353.6","1.6","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","[Zn(3-tzbd)2.H2O]n","","","- C3.05 H2.29 N1.52 O0.57 Zn0.19 -","- C3.04762 H2.28571 N1.52381 O0.571429 Zn0.190476 -","- C128 H96 N64 O24 Zn8 -","42","5.25","","Liu, Zhi-Fa; Wu, Mei-Feng; Zheng, Fa-Kun; Wang, Shuai-Hua; Zhang, Ming-Jian; Chen, Jun; Xiao, Yu; Guo, Guo-Cong; Wu, A-Qing","Zinc(ii) coordination compounds based on in situ generated 3-(5H-tetrazol)benzaldehyde with diverse modes: hydrothermal syntheses, crystal structures and photoluminescent properties","CrystEngComm","2013","15","35","7038","","10.1039/c3ce27111k","","","0.71073","MoKα","","0.0584","0.057","","","0.1837","0.1854","","","","","","1.074","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210239","11.4833","0.0014","13.5101","0.0015","15.1777","0.0017","97.56","0.003","100.423","0.004","103.2","0.005","2217.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","[Zn2(3-tzbd)3(N3)(4,4'-bipy)2.H2O]n","","","- C88 H66 N38 O8 Zn4 -","- C88 H66 N38 O8 Zn4 -","- C88 H66 N38 O8 Zn4 -","1","0.5","","Liu, Zhi-Fa; Wu, Mei-Feng; Zheng, Fa-Kun; Wang, Shuai-Hua; Zhang, Ming-Jian; Chen, Jun; Xiao, Yu; Guo, Guo-Cong; Wu, A-Qing","Zinc(ii) coordination compounds based on in situ generated 3-(5H-tetrazol)benzaldehyde with diverse modes: hydrothermal syntheses, crystal structures and photoluminescent properties","CrystEngComm","2013","15","35","7038","","10.1039/c3ce27111k","","","0.71073","MoKα","","0.0598","0.0508","","","0.1247","0.1319","","","","","","1.055","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210240","14.6438","0.0015","25.7158","0.0016","7.1582","0.0006","90","","102.572","0.006","90","","2631","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Zn2(3-tzbd)2(OH)2(4,4'-bipy).H2O]n","","","- C104 H88 N40 O20 Zn8 -","- C104 H88 N40 O20 Zn8 -","- C104 H88 N40 O20 Zn8 -","1","0.125","","Liu, Zhi-Fa; Wu, Mei-Feng; Zheng, Fa-Kun; Wang, Shuai-Hua; Zhang, Ming-Jian; Chen, Jun; Xiao, Yu; Guo, Guo-Cong; Wu, A-Qing","Zinc(ii) coordination compounds based on in situ generated 3-(5H-tetrazol)benzaldehyde with diverse modes: hydrothermal syntheses, crystal structures and photoluminescent properties","CrystEngComm","2013","15","35","7038","","10.1039/c3ce27111k","","","0.71073","MoKα","","0.0636","0.0497","","","0.1404","0.155","","","","","","0.981","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210241","9.5171","0.0004","11.409","","12.9728","0.0001","69.741","0.01","77.556","0.012","80.174","0.012","1283.3","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Zn2(3-tzbd)4(phen)2","","","- C56 H36 N20 O4 Zn2 -","- C56 H36 N20 O4 Zn2 -","- C56 H36 N20 O4 Zn2 -","1","0.5","","Liu, Zhi-Fa; Wu, Mei-Feng; Zheng, Fa-Kun; Wang, Shuai-Hua; Zhang, Ming-Jian; Chen, Jun; Xiao, Yu; Guo, Guo-Cong; Wu, A-Qing","Zinc(ii) coordination compounds based on in situ generated 3-(5H-tetrazol)benzaldehyde with diverse modes: hydrothermal syntheses, crystal structures and photoluminescent properties","CrystEngComm","2013","15","35","7038","","10.1039/c3ce27111k","","","0.71073","MoKα","","0.0536","0.0468","","","0.1305","0.1406","","","","","","0.804","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210242","10.113","0.0012","13.323","0.0016","15.473","0.0018","90","","104.2","0.0013","90","","2021.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 N4 Ni O5 -","- C21 H18 N4 Ni O5 -","- C84 H72 N16 Ni4 O20 -","4","1","","Guo, Feng; Zhu, Baoyong; Liu, Mingli; Zhang, Xiuling; Zhang, Jian; Zhao, Jiongpeng","Tuning structural topologies of four Ni(ii) coordination polymers through modifying the substitute group of organic ligand","CrystEngComm","2013","15","31","6191","","10.1039/c3ce40157j","","","0.71069","MoKα","","0.0322","0.0268","","","0.0707","0.0736","","","","","","1.062","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210243","8.405","0.003","17.494","0.005","17.621","0.004","90","","100.421","0.008","90","","2548.2","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 N8 Ni O7 -","- C25 H20 N8 Ni O7 -","- C100 H80 N32 Ni4 O28 -","4","1","","Guo, Feng; Zhu, Baoyong; Liu, Mingli; Zhang, Xiuling; Zhang, Jian; Zhao, Jiongpeng","Tuning structural topologies of four Ni(ii) coordination polymers through modifying the substitute group of organic ligand","CrystEngComm","2013","15","31","6191","","10.1039/c3ce40157j","","","0.71069","MoKα","","0.0461","0.0345","","","0.0942","0.102","","","","","","1.03","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210244","17.3102","0.0007","10.8871","0.0004","30.2298","0.0012","90","","100.412","0.0005","90","","5603.2","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H27 N6 Ni O4 -","- C30 H27 N6 Ni O4 -","- C240 H216 N48 Ni8 O32 -","8","1","","Guo, Feng; Zhu, Baoyong; Liu, Mingli; Zhang, Xiuling; Zhang, Jian; Zhao, Jiongpeng","Tuning structural topologies of four Ni(ii) coordination polymers through modifying the substitute group of organic ligand","CrystEngComm","2013","15","31","6191","","10.1039/c3ce40157j","","","0.71073","MoKα","","0.0444","0.0344","","","0.0918","0.096","","","","","","1.075","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210245","23.1936","0.001","15.0255","0.0007","16.4652","0.0013","90","","124.695","0.0004","90","","4717.8","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H40 N10 Ni2 O15 -","- C44 H40 N10 Ni2 O15 -","- C176 H160 N40 Ni8 O60 -","4","0.5","","Guo, Feng; Zhu, Baoyong; Liu, Mingli; Zhang, Xiuling; Zhang, Jian; Zhao, Jiongpeng","Tuning structural topologies of four Ni(ii) coordination polymers through modifying the substitute group of organic ligand","CrystEngComm","2013","15","31","6191","","10.1039/c3ce40157j","","","0.71069","MoKα","","0.0445","0.0331","","","0.0808","0.0869","","","","","","1.004","","","","has coordinates,has disorder","180433","2020-10-21","18:00:00",""
"7210246","18.9686","0.001","18.8743","0.0009","26.1162","0.0014","90","","107.436","0.001","90","","8920.5","0.8","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H92 In12 N12 Ni O3 S20 -","- C30 H60 In12 N10 Ni S20 -","- C120 H240 In48 N40 Ni4 S80 -","4","1","","Wang, Yu-Hong; Jiang, Jian-Bing; Wang, Peng; Sun, Xiao-Lu; Zhu, Qin-Yu; Dai, Jie","Polymeric supertetrahedral InS clusters assembled by new linkages","CrystEngComm","2013","15","30","6040","","10.1039/c3ce40270c","","","0.71075","MoKα","","0.074","0.0563","","","0.1278","0.1387","","","","","","1.014","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210247","32.042","0.004","9.8206","0.0008","24.305","0.002","90","","127.353","0.002","90","","6079.6","1","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C72 H192 In8 N24 Ni4 O12 S16 -","- C72 In8 N24 Ni4 O12 S16 -","- C144 In16 N48 Ni8 O24 S32 -","2","0.25","","Wang, Yu-Hong; Jiang, Jian-Bing; Wang, Peng; Sun, Xiao-Lu; Zhu, Qin-Yu; Dai, Jie","Polymeric supertetrahedral InS clusters assembled by new linkages","CrystEngComm","2013","15","30","6040","","10.1039/c3ce40270c","","","0.71075","MoKα","","0.0616","0.053","","","0.1344","0.1409","","","","","","1.089","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210248","24.8713","0.0015","28.3131","0.0016","52.118","0.003","90","","90","","90","","36701","4","296","2","296","2","","","","","","","","7","F d d d :2","-F 2uv 2vw","70","","","","- C90 H222 Co8 In16 N30 O5 S37 -","- C72 H120 Co8 In16 N24 S37 -","- C576 H960 Co64 In128 N192 S296 -","8","0.25","","Wang, Yu-Hong; Jiang, Jian-Bing; Wang, Peng; Sun, Xiao-Lu; Zhu, Qin-Yu; Dai, Jie","Polymeric supertetrahedral InS clusters assembled by new linkages","CrystEngComm","2013","15","30","6040","","10.1039/c3ce40270c","","","0.71073","MoKα","","0.1322","0.117","","","0.1907","0.1963","","","","","","1.167","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7210249","22.9417","0.001","26.2387","0.001","27.3488","0.0011","90","","99.454","0.001","90","","16239.3","1.1","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C168 H408 Co17 In32 N56 O6 S68 -","- C132 Co17 In32 N52 O6 S68 -","- C264 Co34 In64 N104 O12 S136 -","2","0.5","","Wang, Yu-Hong; Jiang, Jian-Bing; Wang, Peng; Sun, Xiao-Lu; Zhu, Qin-Yu; Dai, Jie","Polymeric supertetrahedral InS clusters assembled by new linkages","CrystEngComm","2013","15","30","6040","","10.1039/c3ce40270c","","","0.71075","MoKα","","0.1141","0.0814","","","0.1798","0.202","","","","","","1.132","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210250","9.09","0.003","26.329","0.008","14.854","0.005","90","","95.493","0.004","90","","3539","2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H20 Cd Cl4 N2 O5 -","- C35 H20 Cd Cl4 N2 O5 -","- C140 H80 Cd4 Cl16 N8 O20 -","4","1","","Yuan, Guozan; Rong, Lulu; Qiao, Xuelong; Ma, Li; Wei, Xianwen","Anion-controlled structures and luminescent properties of three Cd(ii) complexes assembled by a 2-substituted 8-hydroxyquinoline ligand","CrystEngComm","2013","15","36","7307","","10.1039/c3ce40348c","","","0.71073","MoKα","","0.0648","0.0448","","","0.1212","0.1341","","","","","","1.033","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210251","14.7666","0.001","24.2437","0.0017","14.97","0.001","90","","112.025","0.001","90","","4968.1","0.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H37 Cd2 Cl6 N3 O6 -","- C54 H37 Cd2 Cl6 N3 O6 -","- C216 H148 Cd8 Cl24 N12 O24 -","4","1","","Yuan, Guozan; Rong, Lulu; Qiao, Xuelong; Ma, Li; Wei, Xianwen","Anion-controlled structures and luminescent properties of three Cd(ii) complexes assembled by a 2-substituted 8-hydroxyquinoline ligand","CrystEngComm","2013","15","36","7307","","10.1039/c3ce40348c","","","0.71073","MoKα","","0.0916","0.0504","","","0.1256","0.1464","","","","","","1.049","","","","has coordinates,has disorder","180433","2020-10-21","18:00:00",""
"7210252","15.88","0.002","24.478","0.003","26.637","0.004","90","","106.257","0.003","90","","9940","2","58","2","58","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C51 H30 Cd2 Cl6 I N3 O3 -","- C52 H30 Cd2 Cl6 I N3 O4 -","- C416 H240 Cd16 Cl48 I8 N24 O32 -","8","1","","Yuan, Guozan; Rong, Lulu; Qiao, Xuelong; Ma, Li; Wei, Xianwen","Anion-controlled structures and luminescent properties of three Cd(ii) complexes assembled by a 2-substituted 8-hydroxyquinoline ligand","CrystEngComm","2013","15","36","7307","","10.1039/c3ce40348c","","","0.71073","MoKα","","0.1071","0.0538","","","0.1432","0.2035","","","","","","1.111","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210253","10.442","0.002","11.545","0.002","14.071","0.003","102.208","0.002","110.931","0.001","100.536","0.001","1485.2","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H24 O12 Pr -","- C33 H24 O12 Pr -","- C66 H48 O24 Pr2 -","2","1","","Luo, Yu-Hui; Yue, Feng-Xia; Yu, Xiao-Yang; Chen, Xin; Zhang, Hong","Coordination polymers of lanthanide complexes with benzene dicarboxylato ligands","CrystEngComm","2013","15","32","6340","","10.1039/c3ce40357b","","","0.71073","MoKα","","0.0261","0.0234","","","0.0613","0.0758","","","","","","0.987","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7210254","10.1324","0.0008","10.1905","0.0009","15.5442","0.001","96.333","0.002","97.155","0.003","114.009","0.003","1431.6","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H22 Er O11 -","- C33 H22 Er O11 -","- C66 H44 Er2 O22 -","2","1","","Luo, Yu-Hui; Yue, Feng-Xia; Yu, Xiao-Yang; Chen, Xin; Zhang, Hong","Coordination polymers of lanthanide complexes with benzene dicarboxylato ligands","CrystEngComm","2013","15","32","6340","","10.1039/c3ce40357b","","","0.71073","MoKα","","0.0662","0.0602","","","0.1755","0.1956","","","","","","1.109","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210255","10.1326","0.0005","10.1834","0.0004","15.5265","0.0008","96.308","0.004","97.128","0.004","113.89","0.004","1430.69","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H22 Ho O11 -","- C33 H22 Ho O11 -","- C66 H44 Ho2 O22 -","2","1","","Luo, Yu-Hui; Yue, Feng-Xia; Yu, Xiao-Yang; Chen, Xin; Zhang, Hong","Coordination polymers of lanthanide complexes with benzene dicarboxylato ligands","CrystEngComm","2013","15","32","6340","","10.1039/c3ce40357b","","","0.71073","MoKα","","0.0589","0.0452","","","0.0624","0.0687","","","","","","0.995","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210256","10.4475","0.0011","11.5142","0.0006","14.0367","0.0016","102.313","0.007","110.938","0.01","100.587","0.006","1476.9","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H24 Nd O12 -","- C33 H24 Nd O12 -","- C66 H48 Nd2 O24 -","2","1","","Luo, Yu-Hui; Yue, Feng-Xia; Yu, Xiao-Yang; Chen, Xin; Zhang, Hong","Coordination polymers of lanthanide complexes with benzene dicarboxylato ligands","CrystEngComm","2013","15","32","6340","","10.1039/c3ce40357b","","","0.71073","MoKα","","0.0511","0.0414","","","0.0878","0.0931","","","","","","1.033","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7210257","10.413","0.0011","11.4804","0.0018","14.1232","0.0019","102.54","0.006","111.188","0.001","100.429","0.003","1472.9","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H24 O12 Sm -","- C33 H24 O12 Sm -","- C66 H48 O24 Sm2 -","2","1","","Luo, Yu-Hui; Yue, Feng-Xia; Yu, Xiao-Yang; Chen, Xin; Zhang, Hong","Coordination polymers of lanthanide complexes with benzene dicarboxylato ligands","CrystEngComm","2013","15","32","6340","","10.1039/c3ce40357b","","","0.71073","MoKα","","0.0393","0.0329","","","0.0873","0.1026","","","","","","1.082","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7210258","10.3979","0.0006","11.4388","0.0006","14.1007","0.0008","102.635","0.005","111.321","0.005","100.381","0.005","1460.95","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H24 Eu O12 -","- C33 H24 Eu O12 -","- C66 H48 Eu2 O24 -","2","1","","Luo, Yu-Hui; Yue, Feng-Xia; Yu, Xiao-Yang; Chen, Xin; Zhang, Hong","Coordination polymers of lanthanide complexes with benzene dicarboxylato ligands","CrystEngComm","2013","15","32","6340","","10.1039/c3ce40357b","","","0.71073","MoKα","","0.0467","0.036","","","0.0658","0.0702","","","","","","1.03","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7210259","10.4002","0.0006","11.4239","0.0006","14.1035","0.0008","102.78","0.001","111.354","0.001","100.275","0.001","1458.8","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H24 Gd O12 -","- C33 H24 Gd O12 -","- C66 H48 Gd2 O24 -","2","1","","Luo, Yu-Hui; Yue, Feng-Xia; Yu, Xiao-Yang; Chen, Xin; Zhang, Hong","Coordination polymers of lanthanide complexes with benzene dicarboxylato ligands","CrystEngComm","2013","15","32","6340","","10.1039/c3ce40357b","","","0.71073","MoKα","","0.0308","0.028","","","0.0669","0.0687","","","","","","1.041","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210260","11.9617","0.0006","12.6849","0.0005","19.6998","0.001","90","","107.951","0.003","90","","2843.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H21 N2 O7 Tb -","- C34 H20 N2 O7 Tb -","- C136 H80 N8 O28 Tb4 -","4","1","","Luo, Yu-Hui; Yue, Feng-Xia; Yu, Xiao-Yang; Chen, Xin; Zhang, Hong","Coordination polymers of lanthanide complexes with benzene dicarboxylato ligands","CrystEngComm","2013","15","32","6340","","10.1039/c3ce40357b","","","0.71073","MoKα","","0.0445","0.0352","","","0.0902","0.1212","","","","","","1.074","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210261","11.9684","0.0006","12.6499","0.0004","19.6347","0.0017","90","","108","0.006","90","","2827.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H20 Dy N2 O7 -","- C34 H20 Dy N2 O7 -","- C136 H80 Dy4 N8 O28 -","4","1","","Luo, Yu-Hui; Yue, Feng-Xia; Yu, Xiao-Yang; Chen, Xin; Zhang, Hong","Coordination polymers of lanthanide complexes with benzene dicarboxylato ligands","CrystEngComm","2013","15","32","6340","","10.1039/c3ce40357b","","","0.71073","MoKα","","0.0498","0.0349","","","0.0706","0.0755","","","","","","1.038","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210262","12.0185","0.0004","12.6199","0.0005","19.586","0.0008","90","","108.006","0.003","90","","2825.16","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H21 Er N2 O7 -","- C34 H20 Er N2 O7 -","- C136 H80 Er4 N8 O28 -","4","1","","Luo, Yu-Hui; Yue, Feng-Xia; Yu, Xiao-Yang; Chen, Xin; Zhang, Hong","Coordination polymers of lanthanide complexes with benzene dicarboxylato ligands","CrystEngComm","2013","15","32","6340","","10.1039/c3ce40357b","","","0.71073","MoKα","","0.0494","0.0327","","","0.0476","0.0519","","","","","","0.9","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210263","12.0745","0.0018","12.584","0.002","19.537","0.002","90","","108","0.007","90","","2823.3","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H21 N2 O7 Yb -","- C34 H20 N2 O7 Yb -","- C136 H80 N8 O28 Yb4 -","4","1","","Luo, Yu-Hui; Yue, Feng-Xia; Yu, Xiao-Yang; Chen, Xin; Zhang, Hong","Coordination polymers of lanthanide complexes with benzene dicarboxylato ligands","CrystEngComm","2013","15","32","6340","","10.1039/c3ce40357b","","","0.71073","MoKα","","0.0618","0.0422","","","0.0748","0.0827","","","","","","1.076","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210264","10.3248","0.0019","11.3302","0.0018","14.087","0.003","102.938","0.014","111.17","0.017","100.561","0.014","1433.1","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H24 O12 Tb -","- C33 H24 O12 Tb -","- C66 H48 O24 Tb2 -","2","1","","Luo, Yu-Hui; Yue, Feng-Xia; Yu, Xiao-Yang; Chen, Xin; Zhang, Hong","Coordination polymers of lanthanide complexes with benzene dicarboxylato ligands","CrystEngComm","2013","15","32","6340","","10.1039/c3ce40357b","","","0.71073","MoKα","","0.0387","0.0331","","","0.0693","0.0752","","","","","","0.99","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7210265","8.1858","0.0008","10.6531","0.0012","20.967","0.002","90","","92.684","0.007","90","","1826.4","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 N2 O2 -","- C21 H24 N2 O2 -","- C84 H96 N8 O8 -","4","1","","Nath, Bhaskar; Baruah, Jubaraj B.","Polymorphism and porosity in 4-[(4-hydroxy-3,5-dimethylphenyl)(5-methyl-1H-imidazol-4-yl)methyl]-2,6-dimethylphenol","CrystEngComm","2013","15","31","6249","","10.1039/c3ce40407b","","","0.71073","MoKα","","0.1232","0.0536","","","0.0896","0.1071","","","","","","1.049","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210266","21.5904","0.0013","13.638","0.0008","16.9958","0.0017","90","","123.947","0.003","90","","4151.4","0.6","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H24 N2 O2 -","- C21 H24 N2 O2 -","- C168 H192 N16 O16 -","8","1","","Nath, Bhaskar; Baruah, Jubaraj B.","Polymorphism and porosity in 4-[(4-hydroxy-3,5-dimethylphenyl)(5-methyl-1H-imidazol-4-yl)methyl]-2,6-dimethylphenol","CrystEngComm","2013","15","31","6249","","10.1039/c3ce40407b","","","0.71073","MoKα","","0.169","0.0818","","","0.1977","0.2355","","","","","","0.997","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210267","21.9667","0.0007","13.4559","0.0007","17.1405","0.0007","90","","124.165","0.004","90","","4192.1","0.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22.5 H27 N2 O2.5 -","- C22.5 H27 N2 O2.5 -","- C180 H216 N16 O20 -","8","1","","Nath, Bhaskar; Baruah, Jubaraj B.","Polymorphism and porosity in 4-[(4-hydroxy-3,5-dimethylphenyl)(5-methyl-1H-imidazol-4-yl)methyl]-2,6-dimethylphenol","CrystEngComm","2013","15","31","6249","","10.1039/c3ce40407b","","","0.71073","MoKα","","0.0929","0.0689","","","0.1199","0.1273","","","","","","1.076","","","","has coordinates","212110","2020-10-21","18:00:00",""
"7210268","8.2791","0.0006","10.4599","0.0007","26.664","0.002","90","","96.212","0.007","90","","2295.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H32 N2 O4 S -","- C23 H32 N2 O4 S -","- C92 H128 N8 O16 S4 -","4","1","","Nath, Bhaskar; Baruah, Jubaraj B.","Polymorphism and porosity in 4-[(4-hydroxy-3,5-dimethylphenyl)(5-methyl-1H-imidazol-4-yl)methyl]-2,6-dimethylphenol","CrystEngComm","2013","15","31","6249","","10.1039/c3ce40407b","","","0.71073","MoKα","","0.1084","0.0885","","","0.1671","0.1781","","","","","","1.007","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210269","8.927","0.002","9.233","0.002","12.683","0.003","94.158","0.004","96.911","0.004","104.064","0.005","1001","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C11 H20 Ca Cu N2 O13 S -","- C11 H20 Ca Cu N2 O13 S -","- C22 H40 Ca2 Cu2 N4 O26 S2 -","2","1","","Zhang, Jinhong; Cheng, Shaomin; Wang, Xiangfei; Yuan, Limin; Xue, Mingqiang; Wang, Yang; Liu, Wenlong","Heterometallic coordination polymers based on dipeptide schiff base Cu(ii) metalloligand: synthesis, structures, and magnetic properties","CrystEngComm","2013","15","30","6074","","10.1039/c3ce40596f","","","0.71073","MoKα","","0.0542","0.0473","","","0.1233","0.1262","","","","","","1.006","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210270","8.1109","0.0011","11.7065","0.0018","16.46","0.003","90","","100.757","0.009","90","","1535.4","0.4","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 Cu N2 O9 S Sr -","- C11 H12 Cu N2 O9 S Sr -","- C44 H48 Cu4 N8 O36 S4 Sr4 -","4","1","","Zhang, Jinhong; Cheng, Shaomin; Wang, Xiangfei; Yuan, Limin; Xue, Mingqiang; Wang, Yang; Liu, Wenlong","Heterometallic coordination polymers based on dipeptide schiff base Cu(ii) metalloligand: synthesis, structures, and magnetic properties","CrystEngComm","2013","15","30","6074","","10.1039/c3ce40596f","","","0.71073","MoKα","","0.0962","0.0618","","","0.1125","0.117","","","","","","1.014","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210271","8.498","0.002","9.691","0.003","12.53","0.003","110.582","0.004","91.961","0.004","113.516","0.004","867.3","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C11 H16 Ba Cu N2 O11 S -","- C11 H16 Ba Cu N2 O11 S -","- C22 H32 Ba2 Cu2 N4 O22 S2 -","2","1","","Zhang, Jinhong; Cheng, Shaomin; Wang, Xiangfei; Yuan, Limin; Xue, Mingqiang; Wang, Yang; Liu, Wenlong","Heterometallic coordination polymers based on dipeptide schiff base Cu(ii) metalloligand: synthesis, structures, and magnetic properties","CrystEngComm","2013","15","30","6074","","10.1039/c3ce40596f","","","0.71073","MoKα","","0.0386","0.0357","","","0.0925","0.0941","","","","","","1.048","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210272","18.871","0.013","18.123","0.013","14.501","0.01","90","","95.28","0.009","90","","4938","6","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H13 Mn2 N6 O11 -","- C26 H13 Mn2 N6 O11 -","- C104 H52 Mn8 N24 O44 -","4","1","","Wang, Yu-Xian; Li, Zhong-Yi; Zhu, Jiang; Wang, Xiao-Qun; Xu, Ling-Ling; Lachgar, Abdessadek; Zhang, Jian-Jun","Four (5,5)-connected three-dimensional metal organic materials based on pentacarboxylate ligand: Synthesis, structures and characterization","CrystEngComm","2013","15","32","6395","","10.1039/c3ce40599k","","","0.71073","MoKα","","0.0709","0.0502","","","0.1142","0.1225","","","","","","0.904","","","","has coordinates,has disorder","180433","2020-10-21","18:00:00",""
"7210273","16","0.004","21.411","0.005","19.198","0.005","90","","99.861","0.003","90","","6480","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H22 Cu4 N8 O17 -","- C31 H22 Cu4 N8 O17 -","- C124 H88 Cu16 N32 O68 -","4","1","","Wang, Yu-Xian; Li, Zhong-Yi; Zhu, Jiang; Wang, Xiao-Qun; Xu, Ling-Ling; Lachgar, Abdessadek; Zhang, Jian-Jun","Four (5,5)-connected three-dimensional metal organic materials based on pentacarboxylate ligand: Synthesis, structures and characterization","CrystEngComm","2013","15","32","6395","","10.1039/c3ce40599k","","","0.71073","MoKα","","0.0558","0.0363","","","0.0775","0.0813","","","","","","0.958","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210274","10.8122","0.001","11.1482","0.0011","31.445","0.003","90","","90","","90","","3790.3","0.6","248","2","248","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H13 Cl3 Cu N6 O10 -","- C10 H13 Cl3 Cu N6 O10 -","- C80 H104 Cl24 Cu8 N48 O80 -","8","1","","Cao, Jing; Liu, Jia-Cheng; Deng, Wen-Ting; Jin, Neng-Zhi","Structurally diverse copper(ii) complexes with pyridazine-integrated with pyrazine‒Schiff base ligand featuring an easily lost proton in the hydrazone backbone","CrystEngComm","2013","15","32","6359","","10.1039/c3ce40605a","","","0.71073","MoKα","","0.0477","0.0358","","","0.0938","0.1004","","","","","","1.02","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210275","32.804","0.003","6.6637","0.0006","21.391","0.002","90","","128.802","0.005","90","","3644.1","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H15 Cl Cu N8 O9 -","- C10 H15 Cl Cu N8 O9 -","- C80 H120 Cl8 Cu8 N64 O72 -","8","1","","Cao, Jing; Liu, Jia-Cheng; Deng, Wen-Ting; Jin, Neng-Zhi","Structurally diverse copper(ii) complexes with pyridazine-integrated with pyrazine‒Schiff base ligand featuring an easily lost proton in the hydrazone backbone","CrystEngComm","2013","15","32","6359","","10.1039/c3ce40605a","","","0.71073","MoKα","","0.0455","0.0404","","","0.1085","0.1133","","","","","","1.035","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210276","14.87","0.006","19.709","0.008","8.759","0.003","90","","106.423","0.004","90","","2462.3","1.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 Cl4 Cu2 N12 -","- C20 H16 Cl4 Cu2 N12 -","- C80 H64 Cl16 Cu8 N48 -","4","0.5","","Cao, Jing; Liu, Jia-Cheng; Deng, Wen-Ting; Jin, Neng-Zhi","Structurally diverse copper(ii) complexes with pyridazine-integrated with pyrazine‒Schiff base ligand featuring an easily lost proton in the hydrazone backbone","CrystEngComm","2013","15","32","6359","","10.1039/c3ce40605a","","","0.71073","MoKα","","0.0651","0.0377","","","0.0483","0.0513","","","","","","1.58","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210277","14.641","0.007","14.569","0.007","12.478","0.006","90","","94.49","0.004","90","","2653","2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H17 Cl3 Cu2 N12 O5 -","- C20 H17 Cl3 Cu2 N12 O5 -","- C80 H68 Cl12 Cu8 N48 O20 -","4","0.5","","Cao, Jing; Liu, Jia-Cheng; Deng, Wen-Ting; Jin, Neng-Zhi","Structurally diverse copper(ii) complexes with pyridazine-integrated with pyrazine‒Schiff base ligand featuring an easily lost proton in the hydrazone backbone","CrystEngComm","2013","15","32","6359","","10.1039/c3ce40605a","","","0.71073","MoKα","","0.0492","0.0341","","","0.0799","0.0883","","","","","","1.027","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210278","11.2535","0.0006","11.921","0.001","12.0912","0.0009","92.17","0.007","115.524","0.006","107.005","0.006","1374.3","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H21 Cl2 Cu2 N13 O6 -","- C20 H21 Cl2 Cu2 N13 O6 -","- C40 H42 Cl4 Cu4 N26 O12 -","2","1","","Cao, Jing; Liu, Jia-Cheng; Deng, Wen-Ting; Jin, Neng-Zhi","Structurally diverse copper(ii) complexes with pyridazine-integrated with pyrazine‒Schiff base ligand featuring an easily lost proton in the hydrazone backbone","CrystEngComm","2013","15","32","6359","","10.1039/c3ce40605a","","","0.71073","MoKα","","0.0462","0.0374","","","0.0896","0.0964","","","","","","1.035","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210279","9.924","0.008","9.781","0.006","22.976","0.016","90","","102.64","0.03","90","","2176","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 N4 O7 S -","- C21 H20 N4 O7 S -","- C84 H80 N16 O28 S4 -","4","1","","Guo, Fang; Zhang, Ming-Qian; Famulari, Antonino; Martí-Rujas, Javier","Solid state transformations in stoichiometric hydrogen bonded molecular salts: ionic interconversion and dehydration processes","CrystEngComm","2013","15","31","6237","","10.1039/c3ce40614h","","","0.71073","MoKα","","0.0878","0.051","","","0.1228","0.1574","","","","","","0.965","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210280","21.4632","0.0018","5.7527","0.0005","18.1385","0.0015","90","","114.205","0.006","90","","2042.7","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 N4 O6 S -","- C21 H18 N4 O6 S -","- C84 H72 N16 O24 S4 -","4","1","","Guo, Fang; Zhang, Ming-Qian; Famulari, Antonino; Martí-Rujas, Javier","Solid state transformations in stoichiometric hydrogen bonded molecular salts: ionic interconversion and dehydration processes","CrystEngComm","2013","15","31","6237","","10.1039/c3ce40614h","","","1.54178","CuKα","","0.1382","0.0576","","","0.1315","0.1629","","","","","","1.003","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210281","7.8714","0.0005","16.5514","0.0011","13.6543","0.0007","90","","124.464","0.003","90","","1466.69","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N2 O6 S -","- C14 H12 N2 O6 S -","- C56 H48 N8 O24 S4 -","4","1","","Guo, Fang; Zhang, Ming-Qian; Famulari, Antonino; Martí-Rujas, Javier","Solid state transformations in stoichiometric hydrogen bonded molecular salts: ionic interconversion and dehydration processes","CrystEngComm","2013","15","31","6237","","10.1039/c3ce40614h","","","0.71073","MoKα","","0.0455","0.0416","","","0.1018","0.1048","","","","","","1.014","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210282","11.4318","0.0009","8.4683","0.0007","13.999","0.0001","90","","105.272","0.0001","90","","1307.36","0.15","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H28 I4 Ru2 -","- C20 H28 I4 Ru2 -","- C40 H56 I8 Ru4 -","2","0.5","","Bacchi, Alessia; Cantoni, Giulia; Pelagatti, Paolo","Polymorphs and co-crystal with half-sandwich Ru(ii) dimers [(η6-arene)RuX2]2","CrystEngComm","2013","15","34","6722","","10.1039/c3ce40618k","","","0.71073","MoKα","","0.0434","0.0265","","","0.0533","0.0567","","","","","","0.874","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210283","7.7049","0.0007","8.3452","0.0007","20.036","0.002","90","","92.797","0.001","90","","1286.8","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 I4 Ru2 -","- C20 H28 I4 Ru2 -","- C40 H56 I8 Ru4 -","2","0.5","","Bacchi, Alessia; Cantoni, Giulia; Pelagatti, Paolo","Polymorphs and co-crystal with half-sandwich Ru(ii) dimers [(η6-arene)RuX2]2","CrystEngComm","2013","15","34","6722","","10.1039/c3ce40618k","","","0.71073","MoKα","","0.0426","0.0357","","","0.0879","0.0913","","","","","","1.042","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210284","7.55","0.005","16.543","0.005","7.885","0.005","90","","103.431","0.005","90","0.05","957.9","0.9","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 Cl4 Ru2 -","- C18 H20 Cl4 Ru2 -","- C36 H40 Cl8 Ru4 -","2","0.5","","Bacchi, Alessia; Cantoni, Giulia; Pelagatti, Paolo","Polymorphs and co-crystal with half-sandwich Ru(ii) dimers [(η6-arene)RuX2]2","CrystEngComm","2013","15","34","6722","","10.1039/c3ce40618k","","","0.71073","MoKα","","0.0384","0.027","","","0.0887","0.1002","","","","","","0.715","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210285","15.659","0.005","7.66","0.005","17.82","0.005","90","0.005","112.476","0.005","90","0.005","1975.1","1.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H23 Cl2 N O2 Ru -","- C18 H23 Cl2 N O2 Ru -","- C72 H92 Cl8 N4 O8 Ru4 -","4","1","","Bacchi, Alessia; Cantoni, Giulia; Pelagatti, Paolo","Polymorphs and co-crystal with half-sandwich Ru(ii) dimers [(η6-arene)RuX2]2","CrystEngComm","2013","15","34","6722","","10.1039/c3ce40618k","","","0.71073","MoKα","","0.0546","0.0353","","","0.0751","0.0818","","","","","","1.032","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210286","23.763","0.003","21.535","0.002","26.471","0.003","90","","97.687","0.002","90","","13424","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C45 H34 Co2 N2 O12 -","- C45 H34 Co2 N2 O12 -","- C360 H272 Co16 N16 O96 -","8","1","","Zhou, Lian; Xue, Yun-Shan; Zhang, Jun; Du, Hong-Bin; You, Xiao-Zeng","Construction of three-dimensional metal‒organic frameworks in the presence of a tetrahedral ligand and a secondary bidentate linker","CrystEngComm","2013","15","31","6199","","10.1039/c3ce40621k","","","0.71073","MoKα","","0.0955","0.0507","","","0.1092","0.1168","","","","","","1.015","","","","has coordinates,has disorder","180433","2020-10-21","18:00:00",""
"7210287","23.763","0.003","21.535","0.002","26.471","0.003","90","","97.687","0.002","90","","13424","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C45 H34 N2 O12 Zn2 -","- C45 H34 N2 O12 Zn2 -","- C360 H272 N16 O96 Zn16 -","8","1","","Zhou, Lian; Xue, Yun-Shan; Zhang, Jun; Du, Hong-Bin; You, Xiao-Zeng","Construction of three-dimensional metal‒organic frameworks in the presence of a tetrahedral ligand and a secondary bidentate linker","CrystEngComm","2013","15","31","6199","","10.1039/c3ce40621k","","","0.71073","MoKα","","0.1332","0.0743","","","0.1969","0.2146","","","","","","1.069","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210288","26.39","0.002","19.0868","0.0016","27.639","0.002","90","","95.478","0.001","90","","13858.2","1.9","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C33 H26.5 Cd O12.25 -","- C33 H26.5 Cd O12.25 -","- C264 H212 Cd8 O98 -","8","1","","Zhou, Lian; Xue, Yun-Shan; Zhang, Jun; Du, Hong-Bin; You, Xiao-Zeng","Construction of three-dimensional metal‒organic frameworks in the presence of a tetrahedral ligand and a secondary bidentate linker","CrystEngComm","2013","15","31","6199","","10.1039/c3ce40621k","","","0.71073","MoKα","","0.1195","0.0696","","","0.2096","0.2228","","","","","","1.031","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210289","13.2108","0.001","14.2447","0.001","14.5976","0.0011","90","","113.318","0.001","90","","2522.7","0.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H44 Ag4 Cl4 N12 O20 S6 -","- C24 H44 Ag4 Cl4 N12 O20 S6 -","- C48 H88 Ag8 Cl8 N24 O40 S12 -","2","0.5","","Liu, Ju Yan; Liu, Zhong Yi; Zhang, Li Jun; Wang, You You; Yang, Pan; Wang, Ying; Ding, Bin; Zhao, Xiao Jun","Synthesis, structure, and characterization of a series of Ag(i), Cu(ii) and Ni(ii) complexes based on 2,5-dimethyl-1,3,4-thiodiazole","CrystEngComm","2013","15","32","6413","","10.1039/c3ce40672e","","","0.71073","MoKα","","0.0288","0.0263","","","0.0628","0.0641","","","","","","1.068","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210290","8.9829","0.0013","11.1316","0.0016","11.1548","0.0016","70.62","0.002","79.114","0.002","74.141","0.002","1006.2","0.3","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C12 H12 Ag2 F6 N4 O4 S2 -","- C12 H12 Ag2 F6 N4 O4 S2 -","- C24 H24 Ag4 F12 N8 O8 S4 -","2","1","","Liu, Ju Yan; Liu, Zhong Yi; Zhang, Li Jun; Wang, You You; Yang, Pan; Wang, Ying; Ding, Bin; Zhao, Xiao Jun","Synthesis, structure, and characterization of a series of Ag(i), Cu(ii) and Ni(ii) complexes based on 2,5-dimethyl-1,3,4-thiodiazole","CrystEngComm","2013","15","32","6413","","10.1039/c3ce40672e","","","0.71073","MoKα","","0.0405","0.0363","","","0.0892","0.0937","","","","","","1.063","","","","has coordinates,has disorder","180433","2020-10-21","18:00:00",""
"7210291","12.862","0.002","19.608","0.004","26.579","0.005","90","","90","","90","","6703","2","296","2","296.15","","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C16 H24 Ag2 As2 F12 N8 S3 -","- C16 H24 Ag2 As2 F12 N8 S3 -","- C128 H192 Ag16 As16 F96 N64 S24 -","8","1","","Liu, Ju Yan; Liu, Zhong Yi; Zhang, Li Jun; Wang, You You; Yang, Pan; Wang, Ying; Ding, Bin; Zhao, Xiao Jun","Synthesis, structure, and characterization of a series of Ag(i), Cu(ii) and Ni(ii) complexes based on 2,5-dimethyl-1,3,4-thiodiazole","CrystEngComm","2013","15","32","6413","","10.1039/c3ce40672e","","","0.71073","MoKα","","0.1007","0.05","","","0.1345","0.1626","","","","","","1.029","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210292","6.9033","0.0012","7.852","0.0013","8.6789","0.0015","99.337","0.002","97.714","0.002","115.448","0.002","408.04","0.12","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C4 H6 Ag N3 O3 S -","- C4 H6 Ag N3 O3 S -","- C8 H12 Ag2 N6 O6 S2 -","2","1","","Liu, Ju Yan; Liu, Zhong Yi; Zhang, Li Jun; Wang, You You; Yang, Pan; Wang, Ying; Ding, Bin; Zhao, Xiao Jun","Synthesis, structure, and characterization of a series of Ag(i), Cu(ii) and Ni(ii) complexes based on 2,5-dimethyl-1,3,4-thiodiazole","CrystEngComm","2013","15","32","6413","","10.1039/c3ce40672e","","","0.71073","MoKα","","0.0312","0.0306","","","0.0989","0.0992","","","","","","1.035","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210293","6.6152","0.0006","15.4671","0.0014","8.1921","0.0008","90","","113.208","0.001","90","","770.37","0.12","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 Cu N6 O6 S2 -","- C8 H12 Cu N6 O6 S2 -","- C16 H24 Cu2 N12 O12 S4 -","2","0.5","","Liu, Ju Yan; Liu, Zhong Yi; Zhang, Li Jun; Wang, You You; Yang, Pan; Wang, Ying; Ding, Bin; Zhao, Xiao Jun","Synthesis, structure, and characterization of a series of Ag(i), Cu(ii) and Ni(ii) complexes based on 2,5-dimethyl-1,3,4-thiodiazole","CrystEngComm","2013","15","32","6413","","10.1039/c3ce40672e","","","0.71073","MoKα","","0.0218","0.021","","","0.0548","0.0553","","","","","","1.04","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210294","14.629","0.002","12.3526","0.0008","9.8215","0.001","90","","121.535","0.009","90","","1512.7","0.3","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C24 H40 Cu8 N44 O8 S4 -","- C24 H40 Cu8 N44 O8 S4 -","- C24 H40 Cu8 N44 O8 S4 -","1","0.125","","Liu, Ju Yan; Liu, Zhong Yi; Zhang, Li Jun; Wang, You You; Yang, Pan; Wang, Ying; Ding, Bin; Zhao, Xiao Jun","Synthesis, structure, and characterization of a series of Ag(i), Cu(ii) and Ni(ii) complexes based on 2,5-dimethyl-1,3,4-thiodiazole","CrystEngComm","2013","15","32","6413","","10.1039/c3ce40672e","","","0.71073","MoKα","","0.15","0.0732","","","0.1561","0.2044","","","","","","1.03","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210295","25.7473","0.0014","25.7473","0.0014","23.3799","0.0013","90","","90","","120","","13422.6","1.3","173","2","173","2","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C20 H44 Cl4 N9 Ni4.5 O28.5 S4 -","- C20 H44 Cl4 N9 Ni4.5 O28.5033 S4 -","- C240 H528 Cl48 N108 Ni54 O342.04 S48 -","12","1","","Liu, Ju Yan; Liu, Zhong Yi; Zhang, Li Jun; Wang, You You; Yang, Pan; Wang, Ying; Ding, Bin; Zhao, Xiao Jun","Synthesis, structure, and characterization of a series of Ag(i), Cu(ii) and Ni(ii) complexes based on 2,5-dimethyl-1,3,4-thiodiazole","CrystEngComm","2013","15","32","6413","","10.1039/c3ce40672e","","","0.71073","MoKα","","0.0484","0.0377","","","0.095","0.1034","","","","","","1.047","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7210296","23.986","0.006","23.986","0.006","10.481","0.004","90","","90","","90","","6030","3","293","2","293","2","","","","","","","","5","P 4/n n c :2","-P 4a 2bc","126","","","","- C7 H8 O6.5 P Zn -","- C7 H4 O6.5 P Zn -","- C112 H64 O104 P16 Zn16 -","16","1","","Deng, Mingli; Liu, Xiaofeng; Zheng, Qingshu; Chen, Zhenxia; Fang, Changye; Yue, Bin; He, Heyong","Controllable preparation and structures of two zinc phosphonocarboxylate frameworks with MER and RHO zeolitic topologies","CrystEngComm","2013","15","35","7056","","10.1039/c3ce40673c","","","0.71073","MoKα","","0.0962","0.0866","","","0.2631","0.274","","","","","","1.017","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210297","32.652","0.005","32.652","0.005","32.652","0.005","90","","90","","90","","34812","9","293","2","293","2","","","","","","","","5","P n -3 n :2","-P 4a 2bc 3","222","","","","- C14 H10 O11 P2 Zn2.5 -","- C14 H8 O11 P2 Zn2.5 -","- C672 H384 O528 P96 Zn120 -","48","1","","Deng, Mingli; Liu, Xiaofeng; Zheng, Qingshu; Chen, Zhenxia; Fang, Changye; Yue, Bin; He, Heyong","Controllable preparation and structures of two zinc phosphonocarboxylate frameworks with MER and RHO zeolitic topologies","CrystEngComm","2013","15","35","7056","","10.1039/c3ce40673c","","","0.71073","MoKα","","0.0896","0.0559","","","0.1345","0.1473","","","","","","1.034","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210298","9.4155","0.0006","9.9399","0.0004","15.3997","0.0008","82.238","0.007","86.946","0.007","88.633","0.008","1425.81","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H25 Mn2 N3 O11 S2 -","- C24 H25 Mn2 N3 O11 S2 -","- C48 H50 Mn4 N6 O22 S4 -","2","1","","Tan, Yan-Xi; He, Yan-Ping; Zhang, Ying; Zheng, Yan-Jun; Zhang, Jian","Solvent controlled assembly of four Mn(ii)-2,5-thiophenedicarboxylate frameworks with rod-packing architectures and magnetic properties","CrystEngComm","2013","15","30","6009","","10.1039/c3ce40677f","","","0.71073","MoKα","","0.0802","0.0563","","","0.1467","0.1746","","","","","","0.933","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210299","16.4733","0.0012","10.6596","0.0006","21.7791","0.0013","90","","92.688","0.005","90","","3820.2","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H27 Mn3 N3 O15 S3 -","- C30 H27 Mn3 N3 O15 S3 -","- C120 H108 Mn12 N12 O60 S12 -","4","1","","Tan, Yan-Xi; He, Yan-Ping; Zhang, Ying; Zheng, Yan-Jun; Zhang, Jian","Solvent controlled assembly of four Mn(ii)-2,5-thiophenedicarboxylate frameworks with rod-packing architectures and magnetic properties","CrystEngComm","2013","15","30","6009","","10.1039/c3ce40677f","","","0.71073","MoKα","","0.086","0.0644","","","0.1795","0.2088","","","","","","1.113","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210300","11.857","0.009","18.273","0.013","11.496","0.011","90","","99.2","0.02","90","","2459","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H11 Mn N O5 S -","- C10 H11 Mn N O5 S -","- C80 H88 Mn8 N8 O40 S8 -","8","1","","Tan, Yan-Xi; He, Yan-Ping; Zhang, Ying; Zheng, Yan-Jun; Zhang, Jian","Solvent controlled assembly of four Mn(ii)-2,5-thiophenedicarboxylate frameworks with rod-packing architectures and magnetic properties","CrystEngComm","2013","15","30","6009","","10.1039/c3ce40677f","","","0.71073","MoKα","","0.0884","0.0602","","","0.1539","0.234","","","","","","1.17","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210301","22.7772","0.0016","22.7772","0.0016","12.8156","0.0018","90","","90","","90","","6648.7","1.1","293","2","293","2","","","","","","","","5","P 42/n m c :2","-P 4ac 2a","137","","","","- C14 H7 Mn2 O10 S2 -","- C14 H7 Mn2 O10 S2 -","- C112 H56 Mn16 O80 S16 -","8","0.5","","Tan, Yan-Xi; He, Yan-Ping; Zhang, Ying; Zheng, Yan-Jun; Zhang, Jian","Solvent controlled assembly of four Mn(ii)-2,5-thiophenedicarboxylate frameworks with rod-packing architectures and magnetic properties","CrystEngComm","2013","15","30","6009","","10.1039/c3ce40677f","","","0.71073","MoKα","","0.1448","0.1221","","","0.3106","0.3353","","","","","","1.097","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210302","24.3021","0.001","16.0142","0.0006","22.0018","0.0009","90","","100.138","0.001","90","","8428.9","0.6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H26 N Nd O9 Si -","- C30 H24 N Nd O9 Si -","- C240 H192 N8 Nd8 O72 Si8 -","8","1","","Xue, Yun-Shan; Zhou, Lian; Liu, Mei-Pin; Liu, Su-Meng; Xu, Yan; Du, Hong-Bin; You, Xiao-Zeng","Construction of lanthanide metal‒organic frameworks with highly-connected topology based on a tetrapodal linker","CrystEngComm","2013","15","31","6229","","10.1039/c3ce40682b","","","0.71073","MoKα","","0.0384","0.03","","","0.0798","0.0816","","","","","","1.14","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210303","18.735","0.002","30.214","0.003","24.837","0.003","90","","90","","90","","14059","3","296","2","296","2","","","","","","","","5","C c c m","-C 2 2c","66","","","","- C84 H60 Eu4 O30 Si3 -","- C84 H48 Eu4 O30 Si3 -","- C336 H192 Eu16 O120 Si12 -","4","0.25","","Xue, Yun-Shan; Zhou, Lian; Liu, Mei-Pin; Liu, Su-Meng; Xu, Yan; Du, Hong-Bin; You, Xiao-Zeng","Construction of lanthanide metal‒organic frameworks with highly-connected topology based on a tetrapodal linker","CrystEngComm","2013","15","31","6229","","10.1039/c3ce40682b","","","0.71073","MoKα","","0.0775","0.0481","","","0.1252","0.1299","","","","","","1.085","","","","has coordinates,has disorder","180434","2020-10-21","18:00:00",""
"7210304","18.774","0.002","29.704","0.003","24.89","0.003","90","","90","","90","","13880","3","296","2","296","2","","","","","","","","5","C c c m","-C 2 2c","66","","","","- C84 H60 Er4 O30 Si3 -","- C84 H48 Er4 O30 Si3 -","- C336 H192 Er16 O120 Si12 -","4","0.25","","Xue, Yun-Shan; Zhou, Lian; Liu, Mei-Pin; Liu, Su-Meng; Xu, Yan; Du, Hong-Bin; You, Xiao-Zeng","Construction of lanthanide metal‒organic frameworks with highly-connected topology based on a tetrapodal linker","CrystEngComm","2013","15","31","6229","","10.1039/c3ce40682b","","","0.71073","MoKα","","0.0677","0.0402","","","0.0752","0.0772","","","","","","1.14","","","","has coordinates,has disorder","180434","2020-10-21","18:00:00",""
"7210305","13.085","0.003","19.689","0.004","22.821","0.005","104.33","0.03","95.37","0.03","104.76","0.03","5431","2","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C10 H104 As4 N2 Na10 O199 Tb6 W44 -","- C10 H18 As4 N2 Na10 O199 Tb6 W44 -","- C10 H18 As4 N2 Na10 O199 Tb6 W44 -","1","0.5","","Feng, Xiao-Jia; Han, Hua-Yan; Wang, Yong-Hui; Li, Lu-Lu; Li, Yang-Guang; Wang, En-Bo","Assembly of chainlike polyoxometalate-based lanthanide complexes in one-pot reaction system","CrystEngComm","2013","15","36","7267","","10.1039/c3ce40686e","","","0.71073","MoKα","","0.1438","0.0865","","","0.1569","0.1729","","","","","","1.045","","","","has coordinates,has disorder","180434","2020-10-21","18:00:00",""
"7210306","13.047","0.003","19.597","0.004","22.707","0.005","104.41","0.03","95.24","0.03","104.76","0.03","5363","2","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C10 H114 As4 Dy6 N2 Na10 O204 W44 -","- C10 H18 As4 Dy6 N2 Na10 O201 W44 -","- C10 H18 As4 Dy6 N2 Na10 O201 W44 -","1","0.5","","Feng, Xiao-Jia; Han, Hua-Yan; Wang, Yong-Hui; Li, Lu-Lu; Li, Yang-Guang; Wang, En-Bo","Assembly of chainlike polyoxometalate-based lanthanide complexes in one-pot reaction system","CrystEngComm","2013","15","36","7267","","10.1039/c3ce40686e","","","0.71073","MoKα","","0.1067","0.0704","","","0.1456","0.1609","","","","","","1.038","","","","has coordinates,has disorder","180434","2020-10-21","18:00:00",""
"7210307","15.4412","0.0012","19.3382","0.0015","22.4967","0.0017","77.841","0.001","83.381","0.001","87.227","0.001","6521.1","0.9","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C10 H134 As4 N2 Na10 Nd6 O214 W44 -","- C10 H18 As4 N2 Na10 Nd6 O194 W44 -","- C10 H18 As4 N2 Na10 Nd6 O194 W44 -","1","0.5","","Feng, Xiao-Jia; Han, Hua-Yan; Wang, Yong-Hui; Li, Lu-Lu; Li, Yang-Guang; Wang, En-Bo","Assembly of chainlike polyoxometalate-based lanthanide complexes in one-pot reaction system","CrystEngComm","2013","15","36","7267","","10.1039/c3ce40686e","","","0.71073","MoKα","","0.0915","0.0561","","","0.1297","0.1406","","","","","","0.973","","","","has coordinates,has disorder","180434","2020-10-21","18:00:00",""
"7210308","8.4958","0.0005","15.7766","0.001","5.9616","0.0004","90","","99.269","0.003","90","","788.63","0.09","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H22 Cl4 Cu2 N2 -","- C10 H22 Cl4 Cu2 N2 -","- C20 H44 Cl8 Cu4 N4 -","2","0.5","","Tuikka, Matti; Kersen, Ülo; Haukka, Matti","A new copper chloride chain by supported hydrogen bonding","CrystEngComm","2013","15","31","6177","","10.1039/c3ce40692j","","","0.71073","MoKα","","0.0261","0.0208","","","0.0465","0.0486","","","","","","1.033","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210309","9.2245","0.0002","9.3525","0.0002","9.6145","0.0002","76.753","0.001","84.99","0.001","82.601","0.001","799.23","0.03","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H24 Cl4 Cu N2 O -","- C10 H24 Cl4 Cu N2 O -","- C20 H48 Cl8 Cu2 N4 O2 -","2","1","","Tuikka, Matti; Kersen, Ülo; Haukka, Matti","A new copper chloride chain by supported hydrogen bonding","CrystEngComm","2013","15","31","6177","","10.1039/c3ce40692j","","","0.71073","MoKα","","0.022","0.0185","","","0.045","0.0469","","","","","","1.042","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210310","7.6443","0.0004","7.6443","0.0004","19.1597","0.0012","90","","90","","90","","1119.6","0.11","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C4 H12 Cl4 Cu N2 -","- C4 H12 Cl4 Cu N2 -","- C16 H48 Cl16 Cu4 N8 -","4","0.5","","Tuikka, Matti; Kersen, Ülo; Haukka, Matti","A new copper chloride chain by supported hydrogen bonding","CrystEngComm","2013","15","31","6177","","10.1039/c3ce40692j","","","0.71073","MoKα","","0.0163","0.0154","","","0.0366","0.0368","","","","","","1.059","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210311","10.9151","0.0009","6.7334","0.0006","12.1914","0.001","90","","96.197","0.005","90","","890.78","0.13","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H12 Cl3 Cu N2 -","- C4 H12 Cl3 Cu N2 -","- C16 H48 Cl12 Cu4 N8 -","4","0.5","","Tuikka, Matti; Kersen, Ülo; Haukka, Matti","A new copper chloride chain by supported hydrogen bonding","CrystEngComm","2013","15","31","6177","","10.1039/c3ce40692j","","","0.71073","MoKα","","0.0527","0.0352","","","0.0618","0.0678","","","","","","1.022","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210312","26.88","0.005","19.664","0.004","16.83","0.003","90","","101.88","0.03","90","","8705","3","","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C48 H42 Er2 N6 O6 -","- C48 H42 Er2 N6 O6 -","- C384 H336 Er16 N48 O48 -","8","2","","Gao, Ting; Yang, Yu; Sun, Wen-Bin; Li, Guang-Ming; Hou, Guang-Feng; Yan, Peng-Fei; Li, Ji-Tong; Ding, Dan-Dan","Syntheses, structure and near-infrared (NIR) luminescence of Er2, Yb2, ErYb of homodinuclear and heterodinuclear lanthanide(iii) complexes based on salen ligand","CrystEngComm","2013","15","31","6213","","10.1039/c3ce40714d","","","","","","0.054","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210313","11.0044","0.0006","17.2845","0.0004","11.531","0.0004","90","","104.002","0.004","90","","2128.09","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H42 N4 O8 Yb2 -","- C42 H42 N4 O8 Yb2 -","- C84 H84 N8 O16 Yb4 -","2","0.5","","Gao, Ting; Yang, Yu; Sun, Wen-Bin; Li, Guang-Ming; Hou, Guang-Feng; Yan, Peng-Fei; Li, Ji-Tong; Ding, Dan-Dan","Syntheses, structure and near-infrared (NIR) luminescence of Er2, Yb2, ErYb of homodinuclear and heterodinuclear lanthanide(iii) complexes based on salen ligand","CrystEngComm","2013","15","31","6213","","10.1039/c3ce40714d","","","0.71073","MoKα","","0.046","0.03","","","0.0557","0.0642","","","","","","1.07","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210314","10.984","0.002","17.332","0.003","11.518","0.002","90","","102.68","0.03","90","","2139.3","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H42 Er N4 O8 Yb -","- C42 H42 Er N4 O8 Yb -","- C84 H84 Er2 N8 O16 Yb2 -","2","0.5","","Gao, Ting; Yang, Yu; Sun, Wen-Bin; Li, Guang-Ming; Hou, Guang-Feng; Yan, Peng-Fei; Li, Ji-Tong; Ding, Dan-Dan","Syntheses, structure and near-infrared (NIR) luminescence of Er2, Yb2, ErYb of homodinuclear and heterodinuclear lanthanide(iii) complexes based on salen ligand","CrystEngComm","2013","15","31","6213","","10.1039/c3ce40714d","","","0.71073","MoKα","","0.0606","0.0394","","","0.0802","0.0897","","","","","","1.064","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210315","9.1075","0.0004","15.797","0.0007","16.6894","0.0007","90","","105.699","0.001","90","","2311.55","0.17","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Felodipine : N,N-dimethylacetamide (1:1)","","","- C22 H28 Cl2 N2 O5 -","- C22 H28 Cl2 N2 O5 -","- C88 H112 Cl8 N8 O20 -","4","1","","Surov, Artem O.; Solanko, Katarzyna A.; Bond, Andrew D.; Bauer-Brandl, Annette; Perlovich, German L.","Crystal architecture and physicochemical properties of felodipine solvates","CrystEngComm","2013","15","30","6054","","10.1039/c3ce40715b","","","0.71073","MoKα","","0.0578","0.0475","","","0.1343","0.1422","","","","","","1.07","","","","has coordinates,has disorder","180434","2020-10-21","18:00:00",""
"7210316","28.6544","0.0012","11.445","0.0005","14.573","0.0006","90","","90.715","0.001","90","","4778.8","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Felodipine : 1,3-dimethylimidazolidine-2-one (1:1)","","","- C23 H29 Cl2 N3 O5 -","- C23 H29 Cl2 N3 O5 -","- C184 H232 Cl16 N24 O40 -","8","1","","Surov, Artem O.; Solanko, Katarzyna A.; Bond, Andrew D.; Bauer-Brandl, Annette; Perlovich, German L.","Crystal architecture and physicochemical properties of felodipine solvates","CrystEngComm","2013","15","30","6054","","10.1039/c3ce40715b","","","0.71073","MoKα","","0.054","0.0469","","","0.1202","0.1248","","","","","","1.084","","","","has coordinates,has disorder","180434","2020-10-21","18:00:00",""
"7210317","16.3261","0.0018","11.4866","0.0011","14.7468","0.0017","90","","111.959","0.003","90","","2564.9","0.5","220","2","220","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Felodipine : tetramethylurea (1:1)","","","- C23 H31 Cl2 N3 O5 -","- C23 H31 Cl2 N3 O5 -","- C92 H124 Cl8 N12 O20 -","4","1","","Surov, Artem O.; Solanko, Katarzyna A.; Bond, Andrew D.; Bauer-Brandl, Annette; Perlovich, German L.","Crystal architecture and physicochemical properties of felodipine solvates","CrystEngComm","2013","15","30","6054","","10.1039/c3ce40715b","","","0.71073","MoKα","","0.1033","0.0563","","","0.142","0.1579","","","","","","0.959","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210318","7.0258","0.0004","8.7456","0.0007","11.5823","0.0008","97.224","0.006","105.576","0.006","106.448","0.006","641.61","0.09","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H13 N4 O5 Zn0.5 -","- C12 H13 N4 O5 Zn0.5 -","- C24 H26 N8 O10 Zn -","2","1","","Eshtiagh-Hosseini, Hossein; Mirzaei, Masoud; Biabani, Marzieh; Lippolis, Vito; Chahkandi, Mohammad; Bazzicalupi, Carla","Insight into the connecting roles of interaction synthons and water clusters within different transition metal coordination compounds of pyridine-2,5-dicarboxylic acid: experimental and theoretical studies","CrystEngComm","2013","15","34","6752","","10.1039/c3ce40743h","","","1.54183","CuKα","","0.0373","0.0328","","","0.0859","0.0924","","","","","","0.947","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210319","30.646","0.002","8.0603","0.0003","16.7255","0.0009","90","","116.28","0.007","90","","3704.4","0.4","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H40 N6 O14 Zn -","- C40 H40 N6 O14 Zn -","- C160 H160 N24 O56 Zn4 -","4","0.5","","Eshtiagh-Hosseini, Hossein; Mirzaei, Masoud; Biabani, Marzieh; Lippolis, Vito; Chahkandi, Mohammad; Bazzicalupi, Carla","Insight into the connecting roles of interaction synthons and water clusters within different transition metal coordination compounds of pyridine-2,5-dicarboxylic acid: experimental and theoretical studies","CrystEngComm","2013","15","34","6752","","10.1039/c3ce40743h","","","0.71073","MoKα","","0.0739","0.048","","","0.1036","0.1196","","","","","","0.981","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210320","30.58","0.002","8.0664","0.0003","16.7188","0.0009","90","","116.268","0.007","90","","3698.2","0.4","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H40 N6 Ni O14 -","- C40 H40 N6 Ni O14 -","- C160 H160 N24 Ni4 O56 -","4","0.5","","Eshtiagh-Hosseini, Hossein; Mirzaei, Masoud; Biabani, Marzieh; Lippolis, Vito; Chahkandi, Mohammad; Bazzicalupi, Carla","Insight into the connecting roles of interaction synthons and water clusters within different transition metal coordination compounds of pyridine-2,5-dicarboxylic acid: experimental and theoretical studies","CrystEngComm","2013","15","34","6752","","10.1039/c3ce40743h","","","1.5418","CuKα","","0.0586","0.0442","","","0.1147","0.1256","","","","","","1.048","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210321","9.5388","0.0004","9.6007","0.0003","11.3978","0.0005","83.76","0.003","84.192","0.003","69.97","0.004","972.57","0.07","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C43 H39 Cu N7 O11 -","- C43 H39 Cu N7 O11 -","- C43 H39 Cu N7 O11 -","1","1","","Eshtiagh-Hosseini, Hossein; Mirzaei, Masoud; Biabani, Marzieh; Lippolis, Vito; Chahkandi, Mohammad; Bazzicalupi, Carla","Insight into the connecting roles of interaction synthons and water clusters within different transition metal coordination compounds of pyridine-2,5-dicarboxylic acid: experimental and theoretical studies","CrystEngComm","2013","15","34","6752","","10.1039/c3ce40743h","","","1.5418","CuKα","","0.031","0.0285","","","0.0815","0.0863","","","","","","1.162","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210322","20.282","0.001","22.034","0.001","20.6546","0.0008","90","","90","","90","","9230.4","0.7","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C50 H44 Cr N11 O9 -","- C50 H36 Cr N11 O9 -","- C400 H288 Cr8 N88 O72 -","8","1","","Eshtiagh-Hosseini, Hossein; Mirzaei, Masoud; Biabani, Marzieh; Lippolis, Vito; Chahkandi, Mohammad; Bazzicalupi, Carla","Insight into the connecting roles of interaction synthons and water clusters within different transition metal coordination compounds of pyridine-2,5-dicarboxylic acid: experimental and theoretical studies","CrystEngComm","2013","15","34","6752","","10.1039/c3ce40743h","","","0.71073","MoKα","","0.1754","0.095","","","0.2255","0.2858","","","","","","0.99","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210323","16.8518","0.0003","9.3426","0.0002","16.0838","0.0003","90","","116.507","0.001","90","","2266.04","0.08","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H20 N6 Ni -","- C28 H20 N6 Ni -","- C112 H80 N24 Ni4 -","4","0.5","","Béziau, Antoine; Baudron, Stéphane A.; Rogez, Guillaume; Hosseini, Mir Wais","Ni(ii) dipyrrin complexes bearing peripheral pyridyl or imidazolyl groups self-assemble into 2- and 3-D coordination polymers","CrystEngComm","2013","15","30","5980","","10.1039/c3ce40762d","","","0.71073","MoKα","","0.033","0.0295","","","0.0781","0.0804","","","","","","1.057","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210324","13.8377","0.0003","13.8377","0.0003","20.3849","0.0004","90","","90","","120","","3380.39","0.12","173","2","173","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C46 H40 Cl6 N6 Ni O -","- C46 H40 Cl6 N6 Ni O -","- C138 H120 Cl18 N18 Ni3 O3 -","3","0.5","","Béziau, Antoine; Baudron, Stéphane A.; Rogez, Guillaume; Hosseini, Mir Wais","Ni(ii) dipyrrin complexes bearing peripheral pyridyl or imidazolyl groups self-assemble into 2- and 3-D coordination polymers","CrystEngComm","2013","15","30","5980","","10.1039/c3ce40762d","","","0.71073","MoKα","","0.0727","0.0636","","","0.1679","0.1748","","","","","","1.16","","","","has coordinates,has disorder","180434","2020-10-21","18:00:00",""
"7210325","9.1455","0.0002","22.8915","0.0004","17.1438","0.0003","90","","103.468","0.001","90","","3490.43","0.12","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H29 Cl3 N6 Ni -","- C41 H29 Cl3 N6 Ni -","- C164 H116 Cl12 N24 Ni4 -","4","1","","Béziau, Antoine; Baudron, Stéphane A.; Rogez, Guillaume; Hosseini, Mir Wais","Ni(ii) dipyrrin complexes bearing peripheral pyridyl or imidazolyl groups self-assemble into 2- and 3-D coordination polymers","CrystEngComm","2013","15","30","5980","","10.1039/c3ce40762d","","","0.71073","MoKα","","0.0672","0.0449","","","0.1067","0.1209","","","","","","1.048","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210326","23.9544","0.0006","9.6535","0.0002","17.2072","0.0004","90","","107.043","0.002","90","","3804.32","0.16","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C83 H81 N19 Ni2 O5 -","- C83 H81 N19 Ni2 O5 -","- C166 H162 N38 Ni4 O10 -","2","0.5","","Béziau, Antoine; Baudron, Stéphane A.; Rogez, Guillaume; Hosseini, Mir Wais","Ni(ii) dipyrrin complexes bearing peripheral pyridyl or imidazolyl groups self-assemble into 2- and 3-D coordination polymers","CrystEngComm","2013","15","30","5980","","10.1039/c3ce40762d","","","0.71073","MoKα","","0.0348","0.0311","","","0.0815","0.0837","","","","","","1.033","","","","has coordinates,has disorder","180434","2020-10-21","18:00:00",""
"7210327","16.8936","0.0016","7.615","0.0007","12.9428","0.0012","90","","91.339","0.002","90","","1664.6","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 N O2 -","- C22 H19 N O2 -","- C88 H76 N4 O8 -","4","1","","Kobayashi, Yuhei; Tanaka, Yuki; Sato, Tomohiro; Fujiki, Michiya; Kuroda, Reiko; Imai, Yoshitane","Chiral anthracene fluorescence system using achiral 1-naphthylmethylamine","CrystEngComm","2013","15","31","6259","","10.1039/c3ce40765a","","","0.71073","MoKα","","0.0793","0.0555","","","0.1336","0.1516","","","","","","1.062","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210328","12.589","0.002","5.9903","0.0009","14.136","0.002","90","","115.801","0.002","90","","959.8","0.3","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H21 N O2 -","- C26 H21 N O2 -","- C52 H42 N2 O4 -","2","1","","Kobayashi, Yuhei; Tanaka, Yuki; Sato, Tomohiro; Fujiki, Michiya; Kuroda, Reiko; Imai, Yoshitane","Chiral anthracene fluorescence system using achiral 1-naphthylmethylamine","CrystEngComm","2013","15","31","6259","","10.1039/c3ce40765a","","","0.71073","MoKα","","0.0707","0.0536","","","0.1115","0.1201","","","","","","1.097","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210329","18.302","0.006","8.68","0.003","12.923","0.004","90","","105.172","0.005","90","","1981.4","1.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H21 N O2 -","- C28 H21 N O2 -","- C112 H84 N4 O8 -","4","1","","Kobayashi, Yuhei; Tanaka, Yuki; Sato, Tomohiro; Fujiki, Michiya; Kuroda, Reiko; Imai, Yoshitane","Chiral anthracene fluorescence system using achiral 1-naphthylmethylamine","CrystEngComm","2013","15","31","6259","","10.1039/c3ce40765a","","","0.71075","MoKα","","0.0826","0.0585","","","0.1502","0.1681","","","","","","1.077","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210330","18.044","0.006","18.044","0.006","19.407","0.008","90","","90","","90","","6319","4","296","2","296","2","","","","","","","","7","P 4 21 2","P 4ab 2ab","90","","","","- C24 H70 Cl2 N8 O28 Pd6 S8 -","- C24 H46 Cl2 N8 O28 Pd6 S8 -","- C96 H184 Cl8 N32 O112 Pd24 S32 -","4","0.5","","Lin, Zhengguo; Chen, Baokuan; Feng, Xiao; Wang, Bo; Chi, Yingnan; Fan, Yanxuan; Yang, Xinhang; Huang, Xianqiang; Hu, Changwen","Two chiral multinuclear palladium(ii) complexes comprising alternately arranged isomerous hexanuclear clusters","CrystEngComm","2013","15","33","6461","","10.1039/c3ce40773j","","","0.71073","MoKα","","0.1065","0.0664","","","0.1717","0.2022","","","","","","1.04","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7210331","16.252","0.003","19.15","0.003","22.751","0.004","90","","90","","90","","7081","2","296","2","296","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C30 H82 N12 O37 Pd6 S10 -","- C30 H60 N12 O37 Pd6 S10 -","- C120 H240 N48 O148 Pd24 S40 -","4","1","","Lin, Zhengguo; Chen, Baokuan; Feng, Xiao; Wang, Bo; Chi, Yingnan; Fan, Yanxuan; Yang, Xinhang; Huang, Xianqiang; Hu, Changwen","Two chiral multinuclear palladium(ii) complexes comprising alternately arranged isomerous hexanuclear clusters","CrystEngComm","2013","15","33","6461","","10.1039/c3ce40773j","","","0.71073","MoKα","","0.0914","0.0693","","","0.1759","0.202","","","","","","1.079","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210332","9.51","0.005","9.693","0.006","13.597","0.008","103.857","0.005","100.543","0.004","107.06","0.008","1119.2","1.1","123","2","123","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","Rh_2_L1_2_CF3COO_2","","- C44 H28 F16 O10 Rh2 -","- C44 H28 F16 O10 Rh2 -","- C44 H28 F16 O10 Rh2 -","1","0.5","","Itoh, Takahiro; Kondo, Mio; Kanaike, Mari; Masaoka, Shigeyuki","Arene‒perfluoroarene interactions for crystal engineering of metal complexes: Controlled self-assembly of paddle-wheel dimers","CrystEngComm","2013","15","31","6122","","10.1039/c3ce40777b","","","0.710747","MoKα","","0.0684","0.0587","","","0.1575","0.1615","","","","","","1.229","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210333","9.0904","0.0005","26.7064","0.0002","17.9565","0.0008","90","","101.505","0.001","90","","4271.7","0.3","123","2","123","2","","","","","","","synthesis as described","5","P 1 21/m 1","-P 2yb","11","","Cu_2_L1_4","","- C68 H32 Cu2 F20 O10 -","- C68 H32 Cu2 F20 O10 -","- C136 H64 Cu4 F40 O20 -","2","0.5","","Itoh, Takahiro; Kondo, Mio; Kanaike, Mari; Masaoka, Shigeyuki","Arene‒perfluoroarene interactions for crystal engineering of metal complexes: Controlled self-assembly of paddle-wheel dimers","CrystEngComm","2013","15","31","6122","","10.1039/c3ce40777b","","","0.71074","MoKα","","0.0818","0.0759","","","0.2422","0.2472","","","","","","1.143","","","","has coordinates,has disorder","180434","2020-10-21","18:00:00",""
"7210334","8.006","0.002","11.184","0.003","34.465","0.005","90","","90","","90","","3086","1.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","strychninium N-(3,5-dinitrobenzoyl)-D-asparaginate 1.75-hydrate","","- C32 H35.5 N6 O11.75 -","- C32 H35.502 N6 O11.751 -","- C128 H142.008 N24 O47.004 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Spontaneous racemic resolution ‒ towards control of molecular recognition nature","CrystEngComm","2013","15","33","6448","","10.1039/c3ce40778k","","","0.71073","MoKα","","0.1026","0.0681","","","0.1489","0.1598","","","","","","1.084","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7210335","7.73","0.002","11.896","0.003","37.812","0.005","90","","90","","90","","3477","1.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","strychninium N-(3,5-dinitrobenzoyl)-L-asparaginate 5-hydrate","","- C32 H42 N6 O15 -","- C32 H42 N6 O15 -","- C128 H168 N24 O60 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Spontaneous racemic resolution ‒ towards control of molecular recognition nature","CrystEngComm","2013","15","33","6448","","10.1039/c3ce40778k","","","0.71073","MoKα","","0.0671","0.0492","","","0.1076","0.1129","","","","","","1.038","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210336","12.358","0.003","8.354","0.002","18.078","0.002","90","","101.94","0.03","90","","1826","0.7","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","brucinium N-(3,5-dinitrobenzoyl)-D-asparaginate ethanol solvate hydrate","","- C36 H44 N6 O14 -","- C36 H43.9998 N6 O14 -","- C72 H87.9996 N12 O28 -","2","1","","Białońska, Agata; Ciunik, Zbigniew","Spontaneous racemic resolution ‒ towards control of molecular recognition nature","CrystEngComm","2013","15","33","6448","","10.1039/c3ce40778k","","","0.71073","MoKα","","0.1125","0.0766","","","0.1959","0.212","","","","","","1.037","","","","has coordinates,has disorder","180434","2020-10-21","18:00:00",""
"7210337","38.752","0.005","12.287","0.003","7.909","0.002","90","","100.63","0.03","90","","3701.2","1.4","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","brucinium N-(3,5-dinitrobenzoyl)-L-asparaginate methanol 1.2-solvate 1.5-hydrate","","- C35.19 H43.75 N6 O14.69 -","- C35.189 H43.756 N6 O14.689 -","- C140.756 H175.024 N24 O58.756 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Spontaneous racemic resolution ‒ towards control of molecular recognition nature","CrystEngComm","2013","15","33","6448","","10.1039/c3ce40778k","","","0.71073","MoKα","","0.1778","0.0693","","","0.1202","0.1457","","","","","","0.873","","","","has coordinates,has disorder","180434","2020-10-21","18:00:00",""
"7210338","7.924","0.002","12.14","0.003","20.495","0.003","73.21","0.02","79.37","0.02","80.53","0.03","1842.1","0.7","100","2","100","2","","","","","","","","4","P 1","P 1","1","","brucinium N-(3,5-dinitrobenzoyl)-L-asparaginate methanol 5-solvate","","- C36.5 H46 N6 O14.5 -","- C36.5 H45.998 N6 O14.4995 -","- C73 H91.996 N12 O28.999 -","2","2","","Białońska, Agata; Ciunik, Zbigniew","Spontaneous racemic resolution ‒ towards control of molecular recognition nature","CrystEngComm","2013","15","33","6448","","10.1039/c3ce40778k","","","0.71073","MoKα","","0.1573","0.0631","","","0.1103","0.1335","","","","","","0.845","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7210339","6.371","0.002","9.26","0.002","22.629","0.004","90","","90","","90","","1335","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-(3,5-dinitrobenzoyl)-D-asparagine","","- C11 H10 N4 O8 -","- C11 H10 N4 O8 -","- C44 H40 N16 O32 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Spontaneous racemic resolution ‒ towards control of molecular recognition nature","CrystEngComm","2013","15","33","6448","","10.1039/c3ce40778k","","","0.71073","MoKα","","0.0598","0.0423","","","0.0859","0.0911","","","","","","0.981","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210340","6.381","0.002","9.276","0.002","22.66","0.003","90","","90","","90","","1341.2","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-(3,5-dinitrobenzoyl)asparagine","","- C11 H10 N4 O8 -","- C11 H10 N4 O8 -","- C44 H40 N16 O32 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Spontaneous racemic resolution ‒ towards control of molecular recognition nature","CrystEngComm","2013","15","33","6448","","10.1039/c3ce40778k","","","1.54175","CuKα","","0.0919","0.0683","","","0.1646","0.1964","","","","","","1.06","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210341","4.583","0.002","21.947","0.005","12.852","0.003","90","","92.76","0.02","90","","1291.2","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(3,5-dinitrobenzoyl)asparagine","","- C11 H10 N4 O8 -","- C11 H10 N4 O8 -","- C44 H40 N16 O32 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Spontaneous racemic resolution ‒ towards control of molecular recognition nature","CrystEngComm","2013","15","33","6448","","10.1039/c3ce40778k","","","1.54175","CuKα","","0.1472","0.064","","","0.1452","0.1674","","","","","","0.706","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210342","8.9669","0.0013","9.9577","0.0015","12.1033","0.0018","107.249","0.002","92.764","0.002","106.282","0.002","980.5","0.3","293","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H36 N4 O12 Zn2 -","- C44 H36 N4 O12 Zn2 -","- C44 H36 N4 O12 Zn2 -","1","0.5","","Hu, Dong-Hua; Sun, Chun-Yi; Liu, Fu-Hong; Qin, Chao; Wang, Xin-Long; Su, Zhong-Min","A series of coordination complexes based on unsymmetrical multicarboxylate ligands: syntheses, structures and properties","CrystEngComm","2013","15","34","6769","","10.1039/c3ce40782a","","","0.71073","MoKα","","0.0733","0.0466","","","0.088","0.0987","","","","","","1.011","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210343","27.652","0.005","7.178","0.005","20.457","0.005","90","0.005","120.883","0.005","90","0.005","3485","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H34 Cd3 N2 O16 -","- C30 H34 Cd3 N2 O16 -","- C120 H136 Cd12 N8 O64 -","4","0.5","","Hu, Dong-Hua; Sun, Chun-Yi; Liu, Fu-Hong; Qin, Chao; Wang, Xin-Long; Su, Zhong-Min","A series of coordination complexes based on unsymmetrical multicarboxylate ligands: syntheses, structures and properties","CrystEngComm","2013","15","34","6769","","10.1039/c3ce40782a","","","0.71073","MoKα","","0.041","0.034","","","0.0647","0.067","","","","","","1.079","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210344","26.884","0.005","6.861","0.005","20.315","0.005","90","0.005","119.611","0.005","90","0.005","3258","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H34 Co3 N2 O16 -","- C30 H30 Co3 N2 O16 -","- C120 H120 Co12 N8 O64 -","4","0.5","","Hu, Dong-Hua; Sun, Chun-Yi; Liu, Fu-Hong; Qin, Chao; Wang, Xin-Long; Su, Zhong-Min","A series of coordination complexes based on unsymmetrical multicarboxylate ligands: syntheses, structures and properties","CrystEngComm","2013","15","34","6769","","10.1039/c3ce40782a","","","0.71073","MoKα","","0.0549","0.0397","","","0.0984","0.1083","","","","","","1.009","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210345","8.631","0.005","9.153","0.005","16.265","0.005","74.694","0.005","87.29","0.005","70.685","0.005","1168.5","1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H36 Cd5 N18 O14 -","- C34 H36 Cd5 N18 O14 -","- C34 H36 Cd5 N18 O14 -","1","0.5","","Hu, Dong-Hua; Sun, Chun-Yi; Liu, Fu-Hong; Qin, Chao; Wang, Xin-Long; Su, Zhong-Min","A series of coordination complexes based on unsymmetrical multicarboxylate ligands: syntheses, structures and properties","CrystEngComm","2013","15","34","6769","","10.1039/c3ce40782a","","","0.71073","MoKα","","0.0576","0.0524","","","0.1433","0.149","","","","","","1.065","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210346","10.7045","0.0017","13.064","0.002","16.586","0.003","90","","108.546","0.002","90","","2199","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 N2 O7 Zn -","- C21 H16 N2 O7 Zn -","- C84 H64 N8 O28 Zn4 -","4","1","","Hu, Dong-Hua; Sun, Chun-Yi; Liu, Fu-Hong; Qin, Chao; Wang, Xin-Long; Su, Zhong-Min","A series of coordination complexes based on unsymmetrical multicarboxylate ligands: syntheses, structures and properties","CrystEngComm","2013","15","34","6769","","10.1039/c3ce40782a","","","0.71073","MoKα","","0.084","0.0653","","","0.1853","0.2052","","","","","","1.055","","","","has coordinates,has disorder","180434","2020-10-21","18:00:00",""
"7210347","15.532","0.003","19.713","0.003","15.214","0.003","90","","110.792","0.004","90","","4354.9","1.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H86 Cd6 N24 O41 -","- C68 H60 Cd6 N24 O41 -","- C136 H120 Cd12 N48 O82 -","2","0.25","","Hu, Dong-Hua; Sun, Chun-Yi; Liu, Fu-Hong; Qin, Chao; Wang, Xin-Long; Su, Zhong-Min","A series of coordination complexes based on unsymmetrical multicarboxylate ligands: syntheses, structures and properties","CrystEngComm","2013","15","34","6769","","10.1039/c3ce40782a","","","0.71073","MoKα","","0.0928","0.0654","","","0.15","0.166","","","","","","1.046","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210348","19.6517","0.0017","5.9639","0.0005","26.919","0.003","90","","105.21","0.007","90","","3044.4","0.5","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H35 N5 O7 Zn -","- C29 H35 N5 O7 Zn -","- C116 H140 N20 O28 Zn4 -","4","1","","Cheng, Pei-Chi; Kuo, Po-Ting; Xie, Ming-Yuan; Hsu, Wayne; Chen, Jhy-Der","Structure-directing roles of auxiliary polycarboxylate ligands in the formation of Zn(ii) and Cd(ii) coordination polymers based on a flexible N,N′-di(3-pyridyl)dodecanediamide","CrystEngComm","2013","15","31","6264","","10.1039/c3ce40785c","","","0.71073","MoKα","","0.048","0.0337","","","0.0815","0.0873","","","","","","1.051","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210349","9.482","0.002","11.424","0.003","15.607","0.004","89.33","0.02","81.068","0.013","78.376","0.016","1635.5","0.7","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H38 N4 O10 Zn -","- C31 H38 N4 O10 Zn -","- C62 H76 N8 O20 Zn2 -","2","1","","Cheng, Pei-Chi; Kuo, Po-Ting; Xie, Ming-Yuan; Hsu, Wayne; Chen, Jhy-Der","Structure-directing roles of auxiliary polycarboxylate ligands in the formation of Zn(ii) and Cd(ii) coordination polymers based on a flexible N,N′-di(3-pyridyl)dodecanediamide","CrystEngComm","2013","15","31","6264","","10.1039/c3ce40785c","","","0.71073","MoKα","","0.0754","0.0405","","","0.074","0.0773","","","","","","1.013","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210350","7.7047","0.0008","8.9034","0.0011","29.447","0.004","89.256","0.012","89.387","0.01","71.385","0.01","1914.1","0.4","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H48 N7 O7 Zn -","- C40 H48 N7 O7 Zn -","- C80 H96 N14 O14 Zn2 -","2","1","","Cheng, Pei-Chi; Kuo, Po-Ting; Xie, Ming-Yuan; Hsu, Wayne; Chen, Jhy-Der","Structure-directing roles of auxiliary polycarboxylate ligands in the formation of Zn(ii) and Cd(ii) coordination polymers based on a flexible N,N′-di(3-pyridyl)dodecanediamide","CrystEngComm","2013","15","31","6264","","10.1039/c3ce40785c","","","0.71073","MoKα","","0.0533","0.0433","","","0.111","0.1179","","","","","","1.044","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210351","11.9409","0.0001","8.7538","0.0001","38.6259","0.0004","90","","95.216","0.001","90","","4020.78","0.07","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H49 Cd N6 O8 -","- C41 H49 Cd N6 O8 -","- C164 H196 Cd4 N24 O32 -","4","1","","Cheng, Pei-Chi; Kuo, Po-Ting; Xie, Ming-Yuan; Hsu, Wayne; Chen, Jhy-Der","Structure-directing roles of auxiliary polycarboxylate ligands in the formation of Zn(ii) and Cd(ii) coordination polymers based on a flexible N,N′-di(3-pyridyl)dodecanediamide","CrystEngComm","2013","15","31","6264","","10.1039/c3ce40785c","","","0.71073","MoKα","","0.1142","0.0529","","","0.0873","0.1027","","","","","","1.002","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210352","9.7935","0.0004","12.1729","0.0006","18.9627","0.0009","78.802","0.003","89.871","0.003","70.511","0.003","2085.76","0.17","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H53 Cd N6 O11 -","- C42 H53 Cd N6 O11 -","- C84 H106 Cd2 N12 O22 -","2","1","","Cheng, Pei-Chi; Kuo, Po-Ting; Xie, Ming-Yuan; Hsu, Wayne; Chen, Jhy-Der","Structure-directing roles of auxiliary polycarboxylate ligands in the formation of Zn(ii) and Cd(ii) coordination polymers based on a flexible N,N′-di(3-pyridyl)dodecanediamide","CrystEngComm","2013","15","31","6264","","10.1039/c3ce40785c","","","0.71073","MoKα","","0.0599","0.0404","","","0.0783","0.0857","","","","","","1.05","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210353","5.9474","0.0005","14.2294","0.0017","10.5393","0.0009","90","","94.768","0.008","90","","888.83","0.15","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 N4 O2 -","- C22 H18 N4 O2 -","- C44 H36 N8 O4 -","2","0.5","","Parra, Nicole; Guarda, Luz; Belmar, Julio B.; Hidalgo, Paulina I.; Jiménez, Claudio A.; Pasán, Jorge; Ruiz-Pérez, Catalina","Conformational influence of quinoline moieties in the crystal packing of bis(quinolinecarboxamide)alkane derivatives","CrystEngComm","2013","15","36","7212","","10.1039/c3ce40807h","","","0.71073","MoKα","","0.1012","0.0583","","","0.1315","0.1532","","","","","","1.057","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210354","7.63","0.0015","12.848","0.003","10.165","0.002","90","","101.01","0.03","90","","978.1","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N4 O2 -","- C24 H22 N4 O2 -","- C48 H44 N8 O4 -","2","0.5","","Parra, Nicole; Guarda, Luz; Belmar, Julio B.; Hidalgo, Paulina I.; Jiménez, Claudio A.; Pasán, Jorge; Ruiz-Pérez, Catalina","Conformational influence of quinoline moieties in the crystal packing of bis(quinolinecarboxamide)alkane derivatives","CrystEngComm","2013","15","36","7212","","10.1039/c3ce40807h","","","0.7385","","","0.0461","0.0438","","","0.1262","0.1286","","","","","","1.074","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210355","11.1425","0.0003","15.6947","0.0004","14.6254","0.0005","90","","110.235","0.004","90","","2399.81","0.14","293","2","293","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C26 H28 N4 O3 -","- C26 H28 N4 O3 -","- C104 H112 N16 O12 -","4","1","","Parra, Nicole; Guarda, Luz; Belmar, Julio B.; Hidalgo, Paulina I.; Jiménez, Claudio A.; Pasán, Jorge; Ruiz-Pérez, Catalina","Conformational influence of quinoline moieties in the crystal packing of bis(quinolinecarboxamide)alkane derivatives","CrystEngComm","2013","15","36","7212","","10.1039/c3ce40807h","","","1.5418","CuKα","","0.0775","0.0593","","","0.1827","0.2012","","","","","","1.063","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210356","36.179","0.003","5.8548","0.0005","8.3919","0.0011","90","","102.225","0.009","90","","1737.3","0.3","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H18 N4 O2 -","- C22 H18 N4 O2 -","- C88 H72 N16 O8 -","4","0.5","","Parra, Nicole; Guarda, Luz; Belmar, Julio B.; Hidalgo, Paulina I.; Jiménez, Claudio A.; Pasán, Jorge; Ruiz-Pérez, Catalina","Conformational influence of quinoline moieties in the crystal packing of bis(quinolinecarboxamide)alkane derivatives","CrystEngComm","2013","15","36","7212","","10.1039/c3ce40807h","","","1.5418","CuKα","","0.1282","0.0975","","","0.2733","0.2803","","","","","","1.358","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210357","5.2593","0.0005","5.0366","0.0004","35.673","0.003","90","","91.355","0.008","90","","944.68","0.14","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 N4 O2 -","- C24 H22 N4 O2 -","- C48 H44 N8 O4 -","2","0.5","","Parra, Nicole; Guarda, Luz; Belmar, Julio B.; Hidalgo, Paulina I.; Jiménez, Claudio A.; Pasán, Jorge; Ruiz-Pérez, Catalina","Conformational influence of quinoline moieties in the crystal packing of bis(quinolinecarboxamide)alkane derivatives","CrystEngComm","2013","15","36","7212","","10.1039/c3ce40807h","","","1.5418","CuKα","","0.0543","0.0391","","","0.109","0.1129","","","","","","1.105","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210358","5.1382","0.0001","7.0344","0.0001","29.416","0.0005","90","","93.937","0.001","90","","1060.71","0.03","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 N4 O2 -","- C26 H26 N4 O2 -","- C52 H52 N8 O4 -","2","0.5","","Parra, Nicole; Guarda, Luz; Belmar, Julio B.; Hidalgo, Paulina I.; Jiménez, Claudio A.; Pasán, Jorge; Ruiz-Pérez, Catalina","Conformational influence of quinoline moieties in the crystal packing of bis(quinolinecarboxamide)alkane derivatives","CrystEngComm","2013","15","36","7212","","10.1039/c3ce40807h","","","1.5418","CuKα","","0.0411","0.0374","","","0.11","0.1136","","","","","","1.065","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210359","7.3871","0.0015","16.445","0.003","9.992","0.002","90","","94.97","0.03","90","","1209.3","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 Cd2 N4 O4 S4 -","- C20 H16 Cd2 N4 O4 S4 -","- C40 H32 Cd4 N8 O8 S8 -","2","0.5","","Zhang, Guoqi","Polymorphism in unusual one-dimensional coordination polymers based on cadmium(ii) and 2-mercaptopyridine N-oxide","CrystEngComm","2013","15","33","6453","","10.1039/c3ce40808f","","","0.71073","MoKα","","0.0349","0.0285","","","0.0678","0.07","","","","","","1.031","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210360","3.8452","0.0008","18.753","0.004","8.0557","0.0016","90","","93.49","0.03","90","","579.8","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H8 Cd N2 O2 S2 -","- C10 H8 Cd N2 O2 S2 -","- C20 H16 Cd2 N4 O4 S4 -","2","0.5","","Zhang, Guoqi","Polymorphism in unusual one-dimensional coordination polymers based on cadmium(ii) and 2-mercaptopyridine N-oxide","CrystEngComm","2013","15","33","6453","","10.1039/c3ce40808f","","","0.71073","MoKα","","0.0347","0.0307","","","0.082","0.0844","","","","","","1.026","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210361","43.577","0.003","7.6541","0.0005","21.0472","0.0013","90","","94.207","0.001","90","","7001.2","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H39 Co N6 O8 -","- C35 H39 Co N6 O8 -","- C280 H312 Co8 N48 O64 -","8","1","","Wang, Xiu-Li; Sui, Fang-Fang; Lin, Hong-Yan; Xu, Chuang; Liu, Guo-Cheng; Zhang, Ju-Wen; Tian, Ai-Xiang","Role of aromatic dicarboxylates in the structural diversity of cobalt(ii) and copper(ii) coordination polymers containing a flexible N,N′-di(3-pyridyl)octanediamide ligand","CrystEngComm","2013","15","36","7274","","10.1039/c3ce40825f","","","0.71073","MoKα","","0.058","0.0408","","","0.1035","0.1102","","","","","","1.07","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210362","8.1724","0.001","11.1926","0.0014","15.0362","0.0019","76.094","0.002","89.461","0.002","89.015","0.002","1334.8","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H32 Co N4 O9 -","- C26 H32 Co N4 O9 -","- C52 H64 Co2 N8 O18 -","2","1","","Wang, Xiu-Li; Sui, Fang-Fang; Lin, Hong-Yan; Xu, Chuang; Liu, Guo-Cheng; Zhang, Ju-Wen; Tian, Ai-Xiang","Role of aromatic dicarboxylates in the structural diversity of cobalt(ii) and copper(ii) coordination polymers containing a flexible N,N′-di(3-pyridyl)octanediamide ligand","CrystEngComm","2013","15","36","7274","","10.1039/c3ce40825f","","","0.71073","MoKα","","0.1235","0.0875","","","0.1744","0.1866","","","","","","0.986","","","","has coordinates,has disorder","180434","2020-10-21","18:00:00",""
"7210363","9.0708","0.0011","10.1621","0.0012","11.7772","0.0014","99.457","0.002","106.621","0.002","108.491","0.002","946.9","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H22 Co N3 O8 -","- C17 H22 Co N3 O8 -","- C34 H44 Co2 N6 O16 -","2","1","","Wang, Xiu-Li; Sui, Fang-Fang; Lin, Hong-Yan; Xu, Chuang; Liu, Guo-Cheng; Zhang, Ju-Wen; Tian, Ai-Xiang","Role of aromatic dicarboxylates in the structural diversity of cobalt(ii) and copper(ii) coordination polymers containing a flexible N,N′-di(3-pyridyl)octanediamide ligand","CrystEngComm","2013","15","36","7274","","10.1039/c3ce40825f","","","0.71073","MoKα","","0.0601","0.0411","","","0.0956","0.1016","","","","","","1.002","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210364","6.913","0.0006","25.018","0.002","14.4591","0.0013","90","","96.337","0.002","90","","2485.4","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H26 Cu N4 O6 -","- C26 H26 Cu N4 O6 -","- C104 H104 Cu4 N16 O24 -","4","0.5","","Wang, Xiu-Li; Sui, Fang-Fang; Lin, Hong-Yan; Xu, Chuang; Liu, Guo-Cheng; Zhang, Ju-Wen; Tian, Ai-Xiang","Role of aromatic dicarboxylates in the structural diversity of cobalt(ii) and copper(ii) coordination polymers containing a flexible N,N′-di(3-pyridyl)octanediamide ligand","CrystEngComm","2013","15","36","7274","","10.1039/c3ce40825f","","","0.71073","MoKα","","0.0476","0.0367","","","0.0886","0.0946","","","","","","0.997","","","","has coordinates,has disorder","180434","2020-10-21","18:00:00",""
"7210365","16.258","0.002","9.5904","0.0011","18.92","0.002","90","","102.346","0.002","90","","2881.8","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H34 Cu N4 O10 -","- C26 H34 Cu N4 O10 -","- C104 H136 Cu4 N16 O40 -","4","1","","Wang, Xiu-Li; Sui, Fang-Fang; Lin, Hong-Yan; Xu, Chuang; Liu, Guo-Cheng; Zhang, Ju-Wen; Tian, Ai-Xiang","Role of aromatic dicarboxylates in the structural diversity of cobalt(ii) and copper(ii) coordination polymers containing a flexible N,N′-di(3-pyridyl)octanediamide ligand","CrystEngComm","2013","15","36","7274","","10.1039/c3ce40825f","","","0.71073","MoKα","","0.0755","0.0441","","","0.0959","0.1126","","","","","","0.957","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210366","11.3258","0.0013","15.6874","0.0018","18.231","0.002","67.24","0.002","76.216","0.002","80.258","0.002","2890.2","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H68 Cu2 N10 O19 -","- C52 H68 Cu2 N10 O19 -","- C104 H136 Cu4 N20 O38 -","2","1","","Wang, Xiu-Li; Sui, Fang-Fang; Lin, Hong-Yan; Xu, Chuang; Liu, Guo-Cheng; Zhang, Ju-Wen; Tian, Ai-Xiang","Role of aromatic dicarboxylates in the structural diversity of cobalt(ii) and copper(ii) coordination polymers containing a flexible N,N′-di(3-pyridyl)octanediamide ligand","CrystEngComm","2013","15","36","7274","","10.1039/c3ce40825f","","","0.71073","MoKα","","0.1157","0.0608","","","0.1369","0.1627","","","","","","1.008","","","","has coordinates,has disorder","180434","2020-10-21","18:00:00",""
"7210367","10.6425","0.0007","17.5482","0.0009","11.5193","0.0008","90","","141.11","0.003","90","","1350.65","0.17","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(benzoylacetonato)bis(pyridine)manganese(II)","","- C30 H28 Mn N2 O4 -","- C30 H28 Mn N2 O4 -","- C60 H56 Mn2 N4 O8 -","2","0.5","","Cvrtila, Ivica; Stilinović, Vladimir; Kaitner, Branko","Tuning of coordination geometry via cooperation of inter- and intramolecular hydrogen bonds in bis(benzoylacetonato)manganese(ii) adducts with pyridine derivatives","CrystEngComm","2013","15","33","6585","","10.1039/c3ce40826d","","","0.71073","MoKα","","0.058","0.0344","","","0.079","0.0834","","","","","","0.844","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210368","9.5507","0.0019","17.045","0.003","9.6962","0.0018","90","","110.425","0.018","90","","1479.2","0.5","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(benzoylacetonato)bis(pyridine)manganese(II)","","- C32 H32 Mn N2 O4 -","- C32 H32 Mn N2 O4 -","- C64 H64 Mn2 N4 O8 -","2","0.5","","Cvrtila, Ivica; Stilinović, Vladimir; Kaitner, Branko","Tuning of coordination geometry via cooperation of inter- and intramolecular hydrogen bonds in bis(benzoylacetonato)manganese(ii) adducts with pyridine derivatives","CrystEngComm","2013","15","33","6585","","10.1039/c3ce40826d","","","0.71073","MoKα","","0.0955","0.0734","","","0.1943","0.2106","","","","","","1.145","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210369","13.5786","0.0008","13.5686","0.0012","18.24","0.002","90","","104.845","0.008","90","","3248.4","0.5","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(benzoylacetonato)bis(3,5-dimethylpyridine)manganese(II)","","- C34 H36 Mn N2 O4 -","- C34 H36 Mn N2 O4 -","- C136 H144 Mn4 N8 O16 -","4","0.5","","Cvrtila, Ivica; Stilinović, Vladimir; Kaitner, Branko","Tuning of coordination geometry via cooperation of inter- and intramolecular hydrogen bonds in bis(benzoylacetonato)manganese(ii) adducts with pyridine derivatives","CrystEngComm","2013","15","33","6585","","10.1039/c3ce40826d","","","0.71073","MoKα","","0.0748","0.0366","","","0.0876","0.095","","","","","","0.874","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210370","7.5573","0.0003","17.7535","0.0007","10.6145","0.0004","90","","101.146","0.003","90","","1397.27","0.1","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(benzoylacetonato)bis(3-aminopyridine)manganese(II)","","- C30 H30 Mn N4 O4 -","- C30 H30 Mn N4 O4 -","- C60 H60 Mn2 N8 O8 -","2","0.5","","Cvrtila, Ivica; Stilinović, Vladimir; Kaitner, Branko","Tuning of coordination geometry via cooperation of inter- and intramolecular hydrogen bonds in bis(benzoylacetonato)manganese(ii) adducts with pyridine derivatives","CrystEngComm","2013","15","33","6585","","10.1039/c3ce40826d","","","0.71073","MoKα","","0.0623","0.0315","","","0.0668","0.0712","","","","","","0.907","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210371","7.3008","0.0006","17.1487","0.001","13.0737","0.0013","90","","113.591","0.007","90","","1500","0.2","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(benzoylacetonato)bis(2-amino-3-methylpyridine)manganese(II)","","- C32 H34 Mn N4 O4 -","- C32 H34 Mn N4 O4 -","- C64 H68 Mn2 N8 O8 -","2","0.5","","Cvrtila, Ivica; Stilinović, Vladimir; Kaitner, Branko","Tuning of coordination geometry via cooperation of inter- and intramolecular hydrogen bonds in bis(benzoylacetonato)manganese(ii) adducts with pyridine derivatives","CrystEngComm","2013","15","33","6585","","10.1039/c3ce40826d","","","0.71073","MoKα","","0.0773","0.0345","","","0.0768","0.0838","","","","","","0.881","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210372","7.3129","0.0016","8.752","0.002","24.543","0.007","90","","90.83","0.02","90","","1570.6","0.7","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(benzoylacetonato)bis(2-amino-5-methylpyridine)manganese(II)","","- C32 H34 Mn N4 O4 -","- C32 H34 Mn N4 O4 -","- C64 H68 Mn2 N8 O8 -","2","0.5","","Cvrtila, Ivica; Stilinović, Vladimir; Kaitner, Branko","Tuning of coordination geometry via cooperation of inter- and intramolecular hydrogen bonds in bis(benzoylacetonato)manganese(ii) adducts with pyridine derivatives","CrystEngComm","2013","15","33","6585","","10.1039/c3ce40826d","","","0.71073","MoKα","","0.0963","0.0379","","","0.0839","0.0945","","","","","","0.832","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210373","10.161","0.0004","12.6475","0.0005","12.9842","0.0006","85.849","0.004","73.618","0.004","74.865","0.004","1545.34","0.12","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","cis-bis(Benzoylacetonato)bis(2-amino-5-methylpyridine)manganese(II)","","- C32 H34 Mn N4 O4 -","- C32 H34 Mn N4 O4 -","- C64 H68 Mn2 N8 O8 -","2","1","","Cvrtila, Ivica; Stilinović, Vladimir; Kaitner, Branko","Tuning of coordination geometry via cooperation of inter- and intramolecular hydrogen bonds in bis(benzoylacetonato)manganese(ii) adducts with pyridine derivatives","CrystEngComm","2013","15","33","6585","","10.1039/c3ce40826d","","","0.71073","MoKα","","0.0769","0.0545","","","0.1495","0.1567","","","","","","1.024","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210374","9.0001","0.0007","12.7277","0.001","14.1367","0.0014","66.042","0.009","76.101","0.007","73.393","0.007","1403.8","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","cis-bis(benzoylacetonato)bis(2-aminopyridine)manganese(II)","","- C30 H30 Mn N4 O4 -","- C30 H30 Mn N4 O4 -","- C60 H60 Mn2 N8 O8 -","2","1","","Cvrtila, Ivica; Stilinović, Vladimir; Kaitner, Branko","Tuning of coordination geometry via cooperation of inter- and intramolecular hydrogen bonds in bis(benzoylacetonato)manganese(ii) adducts with pyridine derivatives","CrystEngComm","2013","15","33","6585","","10.1039/c3ce40826d","","","0.71073","MoKα","","0.0908","0.0364","","","0.0612","0.0677","","","","","","0.731","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210375","42.4912","0.0006","12.0468","0.0015","17.29","0.0007","90","","90","","90","","8850.5","1.2","293","2","293","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C24 H22 O8 -","- C24 H22 O8 -","- C384 H352 O128 -","16","1","","Du, Peng; Yang, Yan; Yang, Jin; Liu, Ying-Ying; Kan, Wei-Qiu; Ma, Jian-Fang","A series of MOFs based on a tricarboxylic acid and various N-donor ligands: syntheses, structures, and properties","CrystEngComm","2013","15","35","6986","","10.1039/c3ce40828k","","","0.71073","MoKα","","0.0501","0.0426","","","0.1047","0.1101","","","","","","1.045","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210376","10.332","0.0009","13.792","0.0011","17.331","0.0014","70.708","0.007","88.355","0.007","87.483","0.007","2328.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H31 Na O19 Zn5 -","- C44 H26 O19 Zn5 -","- C88 H52 O38 Zn10 -","2","1","","Du, Peng; Yang, Yan; Yang, Jin; Liu, Ying-Ying; Kan, Wei-Qiu; Ma, Jian-Fang","A series of MOFs based on a tricarboxylic acid and various N-donor ligands: syntheses, structures, and properties","CrystEngComm","2013","15","35","6986","","10.1039/c3ce40828k","","","0.71069","MoKα","","0.1018","0.0607","","","0.1329","0.1482","","","","","","0.971","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210377","13.137","0.0007","15.3527","0.0007","24.3497","0.0011","90","","105.103","0.005","90","","4741.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H43.5 N O15.25 Zn3 -","- C50 H32.5 N O15.25 Zn3 -","- C200 H130 N4 O61 Zn12 -","4","1","","Du, Peng; Yang, Yan; Yang, Jin; Liu, Ying-Ying; Kan, Wei-Qiu; Ma, Jian-Fang","A series of MOFs based on a tricarboxylic acid and various N-donor ligands: syntheses, structures, and properties","CrystEngComm","2013","15","35","6986","","10.1039/c3ce40828k","","","0.71073","MoKα","","0.1089","0.0573","","","0.0983","0.1171","","","","","","1.013","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210378","9.842","0.002","12.262","0.003","20.186","0.004","90","","97.577","0.019","90","","2414.8","0.9","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C52 H40 N4 O16 Zn3 -","- C52 H40 N4 O16 Zn3 -","- C104 H80 N8 O32 Zn6 -","2","0.5","","Du, Peng; Yang, Yan; Yang, Jin; Liu, Ying-Ying; Kan, Wei-Qiu; Ma, Jian-Fang","A series of MOFs based on a tricarboxylic acid and various N-donor ligands: syntheses, structures, and properties","CrystEngComm","2013","15","35","6986","","10.1039/c3ce40828k","","","0.71069","MoKα","","0.0944","0.0656","","","0.162","0.1854","","","","","","1.056","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210379","9.852","0.0004","12.241","0.0005","20.209","0.0008","90","","97.445","0.004","90","","2416.63","0.17","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C52 H40 Cd3 N4 O16 -","- C52 H40 Cd3 N4 O16 -","- C104 H80 Cd6 N8 O32 -","2","0.5","","Du, Peng; Yang, Yan; Yang, Jin; Liu, Ying-Ying; Kan, Wei-Qiu; Ma, Jian-Fang","A series of MOFs based on a tricarboxylic acid and various N-donor ligands: syntheses, structures, and properties","CrystEngComm","2013","15","35","6986","","10.1039/c3ce40828k","","","0.71069","MoKα","","0.0585","0.0369","","","0.0523","0.0574","","","","","","0.996","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210380","11.1595","0.0004","12.9301","0.0004","16.9715","0.0007","95.211","0.003","91.367","0.003","111.342","0.003","2267.24","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C88 H74 O40 Pb7 -","- C88 H50 O40 Pb7 -","- C88 H50 O40 Pb7 -","1","0.5","","Du, Peng; Yang, Yan; Yang, Jin; Liu, Ying-Ying; Kan, Wei-Qiu; Ma, Jian-Fang","A series of MOFs based on a tricarboxylic acid and various N-donor ligands: syntheses, structures, and properties","CrystEngComm","2013","15","35","6986","","10.1039/c3ce40828k","","","0.71073","MoKα","","0.0802","0.054","","","0.1238","0.1436","","","","","","1.034","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210381","10.113","0.0011","24.003","0.003","10.318","0.0007","90","","97.813","0.008","90","","2481.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C50 H34 N6 O15 Zn4 -","- C50 H24 N6 O15 Zn4 -","- C100 H48 N12 O30 Zn8 -","2","0.5","","Du, Peng; Yang, Yan; Yang, Jin; Liu, Ying-Ying; Kan, Wei-Qiu; Ma, Jian-Fang","A series of MOFs based on a tricarboxylic acid and various N-donor ligands: syntheses, structures, and properties","CrystEngComm","2013","15","35","6986","","10.1039/c3ce40828k","","","0.71069","MoKα","","0.0877","0.0526","","","0.1023","0.1193","","","","","","1.015","","","","has coordinates,has disorder","180434","2020-10-21","18:00:00",""
"7210382","10.5387","0.0008","10.7309","0.0008","12.8111","0.0014","105.788","0.008","108.142","0.008","98.441","0.006","1281.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H46 N4 O16 Zn2 -","- C58 H42 N4 O16 Zn2 -","- C58 H42 N4 O16 Zn2 -","1","0.5","","Du, Peng; Yang, Yan; Yang, Jin; Liu, Ying-Ying; Kan, Wei-Qiu; Ma, Jian-Fang","A series of MOFs based on a tricarboxylic acid and various N-donor ligands: syntheses, structures, and properties","CrystEngComm","2013","15","35","6986","","10.1039/c3ce40828k","","","0.71073","MoKα","","0.0977","0.061","","","0.1192","0.1337","","","","","","1.018","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210383","23.296","0.001","10.993","0.0004","27.031","0.0009","90","","103.73","0.004","90","","6724.6","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H58 N8 O18 Zn3 -","- C72 H50 N8 O18 Zn3 -","- C288 H200 N32 O72 Zn12 -","4","0.5","","Du, Peng; Yang, Yan; Yang, Jin; Liu, Ying-Ying; Kan, Wei-Qiu; Ma, Jian-Fang","A series of MOFs based on a tricarboxylic acid and various N-donor ligands: syntheses, structures, and properties","CrystEngComm","2013","15","35","6986","","10.1039/c3ce40828k","","","0.71069","MoKα","","0.0788","0.0516","","","0.1186","0.132","","","","","","1.011","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210384","12.685","0.003","13.348","0.003","16.747","0.005","100.13","0.004","103.059","0.005","110.356","0.003","2487.2","1.1","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H100 Ag12 Br2 O20 P10 S20 -","- C40 H100 Ag12 Br2 O20 P10 S20 -","- C40 H100 Ag12 Br2 O20 P10 S20 -","1","0.5","","Li, Bing; Liao, Jian-Hong; Li, Yi-Juan; Liu, C. W.","Dihalogen-templated synthesis of dodecanuclear silver dichalcogenophosphate clusters","CrystEngComm","2013","15","31","6140","","10.1039/c3ce40829a","","","0.71073","MoKα","","0.0859","0.0555","","","0.1316","0.1545","","","","","","1.04","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210385","12.767","0.002","13.476","0.002","16.931","0.003","100.256","0.003","102.841","0.003","110.851","0.003","2546.2","0.7","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H100 Ag12 I2 O20 P10 S20 -","- C40 H100 Ag12 I2 O20 P10 S20 -","- C40 H100 Ag12 I2 O20 P10 S20 -","1","0.5","","Li, Bing; Liao, Jian-Hong; Li, Yi-Juan; Liu, C. W.","Dihalogen-templated synthesis of dodecanuclear silver dichalcogenophosphate clusters","CrystEngComm","2013","15","31","6140","","10.1039/c3ce40829a","","","0.71073","MoKα","","0.1181","0.0538","","","0.145","0.1784","","","","","","1.012","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210386","12.927","0.002","13.628","0.002","16.945","0.002","99.812","0.004","102.43","0.004","110.352","0.004","2633.3","0.7","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H100 Ag12 I2 O20 P10 Se20 -","- C40 H100 Ag12 I2 O20 P10 Se20 -","- C40 H100 Ag12 I2 O20 P10 Se20 -","1","0.5","","Li, Bing; Liao, Jian-Hong; Li, Yi-Juan; Liu, C. W.","Dihalogen-templated synthesis of dodecanuclear silver dichalcogenophosphate clusters","CrystEngComm","2013","15","31","6140","","10.1039/c3ce40829a","","","0.71073","MoKα","","0.1222","0.0585","","","0.1431","0.1895","","","","","","0.999","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210387","8.968","0.0003","10.388","0.0004","11.414","0.0004","99.427","0.003","112.791","0.002","90.988","0.003","963.25","0.06","298","2","298","2","","","","","","","Crystal Screening","6","P 1","P 1","1","lamivudine 4,5-dichloro hydrogen phthalate","4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-(1H)-pyrimidin-2-one 4,5-dichloro hydrogen phthalate","","- C16 H15 Cl2 N3 O7 S -","- C16 H15 Cl2 N3 O7 S -","- C32 H30 Cl4 N6 O14 S2 -","2","2","","da Silva, Cameron Capeletti; Cirqueira, Marilia de Lima; Martins, Felipe Terra","Lamivudine salts with 1,2-dicarboxylic acids: A new and a rare synthon with double pairing motif fine-tuning their solubility","CrystEngComm","2013","15","32","6311","","10.1039/c3ce40844b","","x-ray","0.71073","MoKα","","0.0615","0.0451","","","0.1098","0.12","","","","","","1.019","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210388","5.311","0.0005","21.103","0.002","33.059","","90","","94.675","0.006","90","","3692.9","0.5","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","lamivudine hydrogen hemihydrate phthalate","4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-(1H)-pyrimidin-2-one hydrogen hemihydrate phthalate","","- C16 H18 N3 O7.5 S -","- C16 H18 N3 O7.5 S -","- C128 H144 N24 O60 S8 -","8","4","","da Silva, Cameron Capeletti; Cirqueira, Marilia de Lima; Martins, Felipe Terra","Lamivudine salts with 1,2-dicarboxylic acids: A new and a rare synthon with double pairing motif fine-tuning their solubility","CrystEngComm","2013","15","32","6311","","10.1039/c3ce40844b","","","0.71073","MoKα","","0.1503","0.065","","","0.1757","0.2532","","","","","","0.99","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7210389","17.724","0.005","19.705","0.005","13.139","0.006","90","","127.496","0.002","90","","3641","2","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C20 H20 N6 O10 Zn2 -","- C20 H18 N6 O10 Zn2 -","- C80 H72 N24 O40 Zn8 -","4","0.5","","Yang, Feilong; Zheng, Qingshu; Chen, Zhenxia; Ling, Yun; Liu, Xiaofeng; Weng, Linhong; Zhou, Yaming","A three-dimensional structure built of paddle-wheel and triazolate-dinuclear metal clusters: synthesis, deformation and reformation of paddle-wheel unit in the single-crystal-to-single-crystal transformation","CrystEngComm","2013","15","35","7031","","10.1039/c3ce40855h","","","0.71073","MoKα","","0.0515","0.0443","","","0.1415","0.1493","","","","","","1.08","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210390","8.23","0.004","21.274","0.01","14.195","0.007","90","","105.466","0.006","90","","2395","2","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C20 H21 N6 O9.5 Zn2 -","- C20 H20 N6 O9.5 Zn2 -","- C80 H80 N24 O38 Zn8 -","4","2","","Yang, Feilong; Zheng, Qingshu; Chen, Zhenxia; Ling, Yun; Liu, Xiaofeng; Weng, Linhong; Zhou, Yaming","A three-dimensional structure built of paddle-wheel and triazolate-dinuclear metal clusters: synthesis, deformation and reformation of paddle-wheel unit in the single-crystal-to-single-crystal transformation","CrystEngComm","2013","15","35","7031","","10.1039/c3ce40855h","","","0.71073","MoKα","","0.078","0.0566","","","0.1462","0.1663","","","","","","0.983","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210391","17.9896","0.0007","12.2939","0.0004","23.8922","0.0009","90","","107.805","0.004","90","","5031","0.3","150","2","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[Cu5(L1)4(MeOH)4](ClO4)2","","","- C40 H56 Cl2 Cu5 N8 O20 -","- C40 H56 Cl2 Cu5 N8 O20 -","- C160 H224 Cl8 Cu20 N32 O80 -","4","0.5","","McDonald, Cecelia; Whyte, Teresa; Taylor, Stephanie M.; Sanz, Sergio; Brechin, Euan K.; Gaynor, Declan; Jones, Leigh F.","Progressive decoration of pentanuclear Cu(ii) 12-metallacrown-4 nodes towards targeted 1- and 2D extended networks","CrystEngComm","2013","15","34","6672","","10.1039/c3ce40859k","","","0.7107","MoKα","","0.0611","0.0423","","","0.0842","0.091","","","","","","1.074","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210392","11.283","0.002","11.482","0.002","13.688","0.003","72.42","0.03","80.58","0.03","61.8","0.03","1489.4","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","[Cu5(L)4(py)2](ClO4)2.py","","","- C51 H55 Cl2 Cu5 N11 O16 -","- C51 H55 Cl2 Cu5 N11 O16 -","- C51 H55 Cl2 Cu5 N11 O16 -","1","0.5","","McDonald, Cecelia; Whyte, Teresa; Taylor, Stephanie M.; Sanz, Sergio; Brechin, Euan K.; Gaynor, Declan; Jones, Leigh F.","Progressive decoration of pentanuclear Cu(ii) 12-metallacrown-4 nodes towards targeted 1- and 2D extended networks","CrystEngComm","2013","15","34","6672","","10.1039/c3ce40859k","","","0.7107","MoKα","","0.045","0.0378","","","0.1089","0.1152","","","","","","1.074","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210393","11.3067","0.0003","12.7372","0.0005","13.2511","0.0004","97.753","0.003","104.385","0.003","103.13","0.003","1762.79","0.11","150","2","150","2","","","","","","","","6","P -1","-P 1","2","[Cu5(L)4(py)6](ClO4)2","","","- C66 H70 Cl2 Cu5 N14 O16 -","- C66 H70 Cl2 Cu5 N14 O16 -","- C66 H70 Cl2 Cu5 N14 O16 -","1","0.5","","McDonald, Cecelia; Whyte, Teresa; Taylor, Stephanie M.; Sanz, Sergio; Brechin, Euan K.; Gaynor, Declan; Jones, Leigh F.","Progressive decoration of pentanuclear Cu(ii) 12-metallacrown-4 nodes towards targeted 1- and 2D extended networks","CrystEngComm","2013","15","34","6672","","10.1039/c3ce40859k","","","0.7107","MoKα","","0.0348","0.0267","","","0.0644","0.0681","","","","","","1.063","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210394","11.3776","0.0007","12.6211","0.0009","12.6793","0.0008","90.229","0.006","107.558","0.006","104.589","0.006","1673.6","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","[Cu5(L)4(4,4-bpy)3](ClO4)2.H2O","","","- C66 H64 Cl2 Cu5 N14 O17 -","- C66 H64 Cl2 Cu5 N14 O17 -","- C66 H64 Cl2 Cu5 N14 O17 -","1","0.5","","McDonald, Cecelia; Whyte, Teresa; Taylor, Stephanie M.; Sanz, Sergio; Brechin, Euan K.; Gaynor, Declan; Jones, Leigh F.","Progressive decoration of pentanuclear Cu(ii) 12-metallacrown-4 nodes towards targeted 1- and 2D extended networks","CrystEngComm","2013","15","34","6672","","10.1039/c3ce40859k","","","0.7107","MoKα","","0.0953","0.0696","","","0.1798","0.2254","","","","","","1.023","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210395","12.6809","0.0003","10.7919","0.0003","20.7122","0.0005","90","","100.018","0.002","90","","2791.27","0.12","149.8","","149.8","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Cu5]-tzp","","","- C48 H56 Cl2 Cu5 N12 O18 -","- C48 H56 Cl2 Cu5 N12 O18 -","- C96 H112 Cl4 Cu10 N24 O36 -","2","0.5","","McDonald, Cecelia; Whyte, Teresa; Taylor, Stephanie M.; Sanz, Sergio; Brechin, Euan K.; Gaynor, Declan; Jones, Leigh F.","Progressive decoration of pentanuclear Cu(ii) 12-metallacrown-4 nodes towards targeted 1- and 2D extended networks","CrystEngComm","2013","15","34","6672","","10.1039/c3ce40859k","","","0.7107","MoKα","","0.0574","0.0379","","","0.0798","0.0874","","","","","","1.025","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210396","9.3958","0.0019","26.777","0.005","10.69","0.002","90","","100.54","0.03","90","","2644.1","0.9","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","[Cu5]","","","- C40 H47 Cl2 Cu5 N12 O20 -","- C40 H47 Cl2 Cu5 N12 O20 -","- C80 H94 Cl4 Cu10 N24 O40 -","2","1","","McDonald, Cecelia; Whyte, Teresa; Taylor, Stephanie M.; Sanz, Sergio; Brechin, Euan K.; Gaynor, Declan; Jones, Leigh F.","Progressive decoration of pentanuclear Cu(ii) 12-metallacrown-4 nodes towards targeted 1- and 2D extended networks","CrystEngComm","2013","15","34","6672","","10.1039/c3ce40859k","","","0.7107","MoKα","","0.0746","0.0482","","","0.0686","0.0758","","","","","","0.963","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210397","11.064","0.0003","12.275","0.0004","17.2399","0.0006","110.321","0.003","96.075","0.003","96.316","0.002","2156.1","0.13","150","","150","","","","","","","","","6","P -1","-P 1","2","[Cu5]","","","- C32 H40 Cl2 Cu5 N8 O21 -","- C32 H40 Cl2 Cu5 N8 O20.99 -","- C64 H80 Cl4 Cu10 N16 O41.98 -","2","1","","McDonald, Cecelia; Whyte, Teresa; Taylor, Stephanie M.; Sanz, Sergio; Brechin, Euan K.; Gaynor, Declan; Jones, Leigh F.","Progressive decoration of pentanuclear Cu(ii) 12-metallacrown-4 nodes towards targeted 1- and 2D extended networks","CrystEngComm","2013","15","34","6672","","10.1039/c3ce40859k","","","0.7107","MoKα","","0.0456","0.0322","","","0.0742","0.0795","","","","","","1.063","","","","has coordinates,has disorder","180434","2020-10-21","18:00:00",""
"7210398","5.1041","0.0007","5.9092","0.0008","6.5261","0.001","96.484","0.012","103.696","0.013","101.969","0.011","184.34","0.05","298","2","298","2","","","","","","","","5","P 1","P 1","1","NAC","N-acetyl-L-cysteine","","- C5 H9 N O3 S -","- C5 H9 N O3 S -","- C5 H9 N O3 S -","1","1","","Kumar, S. Sudalai; Nangia, Ashwini","A new conformational polymorph of N-acetyl-l-cysteine. The role of S‒H⋯O and C‒H⋯O interactions","CrystEngComm","2013","15","33","6498","","10.1039/c3ce40879e","","","0.71073","MoKα","","0.0532","0.0522","","","0.1418","0.1426","","","","","","1.105","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210399","6.0684","0.0006","7.6372","0.0009","16.005","0.002","90","","90","","90","","741.76","0.15","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","NAC","N-Acetyl-L-cysteine","","- C5 H9 N O3 S -","- C5 H9 N O3 S -","- C20 H36 N4 O12 S4 -","4","1","","Kumar, S. Sudalai; Nangia, Ashwini","A new conformational polymorph of N-acetyl-l-cysteine. The role of S‒H⋯O and C‒H⋯O interactions","CrystEngComm","2013","15","33","6498","","10.1039/c3ce40879e","","","0.71073","MoKα","","0.0718","0.0538","","","0.0864","0.0926","","","","","","1.109","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210400","19.8422","0.0006","13.8805","0.0004","17.235","0.0005","90","","101.477","0.001","90","","4651.9","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Mn2(tpa)2(adc)2].6H2O","","","- C44 H48 Mn2 N8 O14 -","- C44 H44 Mn2 N8 O14 -","- C176 H176 Mn8 N32 O56 -","4","0.5","","Khullar, Sadhika; Mandal, Sanjay K.","Structural diversity of the encapsulated water clusters in the 3D supramolecular assemblies: a cyclic quasi-planar hexamer of water constructed through strong hydrogen bonding interactions","CrystEngComm","2013","15","34","6652","","10.1039/c3ce40882e","","","0.71073","MoKα","","0.0305","0.0267","","","0.068","0.071","","","","","","1.03","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210401","20.877","0.005","14.366","0.003","16.576","0.004","90","","106.014","0.003","90","","4778.5","1.9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Mn2(tpa)2(fumarate)2].8H2O","","","- C44 H56 Mn2 N8 O16 -","- C44 H52 Mn2 N8 O16 -","- C176 H208 Mn8 N32 O64 -","4","0.5","","Khullar, Sadhika; Mandal, Sanjay K.","Structural diversity of the encapsulated water clusters in the 3D supramolecular assemblies: a cyclic quasi-planar hexamer of water constructed through strong hydrogen bonding interactions","CrystEngComm","2013","15","34","6652","","10.1039/c3ce40882e","","","0.71073","MoKα","","0.0724","0.0445","","","0.1072","0.1186","","","","","","1.173","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210402","19.7966","0.0015","13.7795","0.0011","17.1799","0.0013","90","","101.871","0.003","90","","4586.2","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Mn2(tpa)2(succinate)2].6H2O","","","- C44 H56 Mn2 N8 O14 -","- C44 H52 Mn2 N8 O14 -","- C176 H208 Mn8 N32 O56 -","4","0.5","","Khullar, Sadhika; Mandal, Sanjay K.","Structural diversity of the encapsulated water clusters in the 3D supramolecular assemblies: a cyclic quasi-planar hexamer of water constructed through strong hydrogen bonding interactions","CrystEngComm","2013","15","34","6652","","10.1039/c3ce40882e","","","0.71073","MoKα","","0.047","0.0462","","","0.1167","0.1174","","","","","","0.919","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210403","12.616","0.004","18.479","0.005","20.409","0.006","90","","90","","90","","4758","2","113","2","113","2","","","","","","","","7","I b a m","-I 2 2c","72","","","","- C20 H27 Ag F6 N4 O1.5 P -","- C20 H22 Ag F6 N4 O1.5 P -","- C160 H176 Ag8 F48 N32 O12 P8 -","8","0.5","","Lin, Cai-Xia; Kong, Xiao-Fei; Li, Qing-Shan; Zhang, Zheng-Zhi; Yuan, Yao-Feng; Xu, Feng-Bo","Dinuclear Ag(i) metallamacrocycles of bis-N-heterocyclic carbenes bridged by calixarene fragments: synthesis, structure and chemosensing behavior","CrystEngComm","2013","15","35","6948","","10.1039/c3ce40918j","","","0.71073","MoKα","","0.0287","0.0276","","","0.078","0.079","","","","","","1.041","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210404","20.903","0.004","10.785","0.003","21.922","0.007","90","","90.808","0.013","90","","4942","2","113","2","113","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","complexes","","","- C42 H56 Ag2 F12 N8 O2 P2 -","- C42 H56 Ag2 F12 N8 O2 P2 -","- C168 H224 Ag8 F48 N32 O8 P8 -","4","1","","Lin, Cai-Xia; Kong, Xiao-Fei; Li, Qing-Shan; Zhang, Zheng-Zhi; Yuan, Yao-Feng; Xu, Feng-Bo","Dinuclear Ag(i) metallamacrocycles of bis-N-heterocyclic carbenes bridged by calixarene fragments: synthesis, structure and chemosensing behavior","CrystEngComm","2013","15","35","6948","","10.1039/c3ce40918j","","","0.71073","MoKα","","0.1667","0.1235","","","0.2169","0.2438","","","","","","1.032","","","","has coordinates,has disorder","180435","2020-10-21","18:00:00",""
"7210405","11.967","0.003","13.539","0.003","13.776","0.004","116.722","0.012","96.41","0.02","103.815","0.017","1873.2","0.9","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C80 H74 Ag2 F12 N10 O2 P2 -","- C80 H74 Ag2 F12 N10 O2 P2 -","- C80 H74 Ag2 F12 N10 O2 P2 -","1","0.5","","Lin, Cai-Xia; Kong, Xiao-Fei; Li, Qing-Shan; Zhang, Zheng-Zhi; Yuan, Yao-Feng; Xu, Feng-Bo","Dinuclear Ag(i) metallamacrocycles of bis-N-heterocyclic carbenes bridged by calixarene fragments: synthesis, structure and chemosensing behavior","CrystEngComm","2013","15","35","6948","","10.1039/c3ce40918j","","","0.71073","MoKα","","0.0415","0.0345","","","0.0688","0.0713","","","","","","0.985","","","","has coordinates,has disorder","180435","2020-10-21","18:00:00",""
"7210406","16.08","0.006","26.639","0.009","25.248","0.008","90","","98.115","0.006","90","","10707","6","113","2","113","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C51.5 H48.25 Ag F6 N6.5 O1.75 P -","- C51.5 H41 Ag F6 N6.25 O1.755 P -","- C412 H328 Ag8 F48 N50 O14.04 P8 -","8","1","","Lin, Cai-Xia; Kong, Xiao-Fei; Li, Qing-Shan; Zhang, Zheng-Zhi; Yuan, Yao-Feng; Xu, Feng-Bo","Dinuclear Ag(i) metallamacrocycles of bis-N-heterocyclic carbenes bridged by calixarene fragments: synthesis, structure and chemosensing behavior","CrystEngComm","2013","15","35","6948","","10.1039/c3ce40918j","","","0.71073","MoKα","","0.1036","0.0906","","","0.2328","0.2443","","","","","","1.109","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7210407","15.946","0.003","17.488","0.003","19.16","0.003","68.336","0.004","85.729","0.009","86.013","0.009","4946.7","1.5","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C113 H100.5 Ag2 F12 N9.5 O4 P2 -","- C113 H100.5 Ag2 F12 N9.5 O4 P2 -","- C226 H201 Ag4 F24 N19 O8 P4 -","2","1","","Lin, Cai-Xia; Kong, Xiao-Fei; Li, Qing-Shan; Zhang, Zheng-Zhi; Yuan, Yao-Feng; Xu, Feng-Bo","Dinuclear Ag(i) metallamacrocycles of bis-N-heterocyclic carbenes bridged by calixarene fragments: synthesis, structure and chemosensing behavior","CrystEngComm","2013","15","35","6948","","10.1039/c3ce40918j","","","0.71073","MoKα","","0.0656","0.0543","","","0.1345","0.1423","","","","","","1.056","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210408","12.733","0.002","15.734","0.003","19.262","0.004","83.265","0.008","80.083","0.008","70.44","0.006","3574.5","1.2","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C77 H82 Ag F6 N6 O3 P -","- C77 H79 Ag F6 N6 O3 P -","- C154 H158 Ag2 F12 N12 O6 P2 -","2","1","","Lin, Cai-Xia; Kong, Xiao-Fei; Li, Qing-Shan; Zhang, Zheng-Zhi; Yuan, Yao-Feng; Xu, Feng-Bo","Dinuclear Ag(i) metallamacrocycles of bis-N-heterocyclic carbenes bridged by calixarene fragments: synthesis, structure and chemosensing behavior","CrystEngComm","2013","15","35","6948","","10.1039/c3ce40918j","","","0.71073","MoKα","","0.0465","0.0414","","","0.1159","0.1189","","","","","","1.047","","","","has coordinates,has disorder","180435","2020-10-21","18:00:00",""
"7210409","10.2882","0.0005","19.9728","0.0011","35.485","0.002","90","","93.483","0.005","90","","7278.1","0.7","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H37.57 Br K0.81 O12.19 Ru S32 -","- C52 H37 Br K0.81 O12.19 Ru S32 -","- C208 H148 Br4 K3.24 O48.76 Ru4 S128 -","4","0.5","","Prokhorova, Tatiana G.; Zorina, Leokadiya V.; Simonov, Sergey V.; Zverev, Vladimir N.; Canadell, Enric; Shibaeva, Rimma P.; Yagubskii, Eduard B.","The first molecular superconductor based on BEDT-TTF radical cation salt with paramagnetic tris(oxalato)ruthenate anion","CrystEngComm","2013","15","35","7048","","10.1039/c3ce40919h","","","0.71073","MoKα","","0.0558","0.0431","","","0.0914","0.0969","","","","","","1.02","","","","has coordinates,has disorder","180435","2020-10-21","18:00:00",""
"7210410","10.3683","0.0004","19.6056","0.0009","36.0834","0.0013","90","","90","","90","","7334.9","0.5","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C53 H37.93 K0.69 N O12.31 Ru S32 -","- C53 H37 K0.69 N O12.31 Ru S32 -","- C212 H148 K2.76 N4 O49.24 Ru4 S128 -","4","0.5","","Prokhorova, Tatiana G.; Zorina, Leokadiya V.; Simonov, Sergey V.; Zverev, Vladimir N.; Canadell, Enric; Shibaeva, Rimma P.; Yagubskii, Eduard B.","The first molecular superconductor based on BEDT-TTF radical cation salt with paramagnetic tris(oxalato)ruthenate anion","CrystEngComm","2013","15","35","7048","","10.1039/c3ce40919h","","","0.71073","MoKα","","0.0794","0.0522","","","0.1103","0.1201","","","","","","1.018","","","","has coordinates,has disorder","180435","2020-10-21","18:00:00",""
"7210411","11.0756","0.0005","11.6861","0.0004","17.838","0.001","75.754","0.003","77.852","0.002","69.903","0.003","2081.34","0.17","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H50 N22 Ni2 O42 U4 -","- C62 H50 N22 Ni2 O42 U4 -","- C62 H50 N22 Ni2 O42 U4 -","1","0.5","","Thuéry, Pierre","Uranyl‒3d block metal ion heterometallic carboxylate complexes including additional chelating nitrogen donors","CrystEngComm","2013","15","33","6533","","10.1039/c3ce40941d","","","0.71073","MoKα","","0.0665","0.0325","","","0.0498","0.0549","","","","","","0.898","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210412","14.6158","0.0009","16.9169","0.0005","27.9857","0.0017","90","","102.458","0.003","90","","6756.7","0.6","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H48 Mn N12 O28 U6 -","- C54 H48 Mn N12 O28 U6 -","- C216 H192 Mn4 N48 O112 U24 -","4","0.5","","Thuéry, Pierre","Uranyl‒3d block metal ion heterometallic carboxylate complexes including additional chelating nitrogen donors","CrystEngComm","2013","15","33","6533","","10.1039/c3ce40941d","","","0.71073","MoKα","","0.0872","0.0384","","","0.0488","0.0559","","","","","","0.87","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210413","8.2664","0.0002","24.604","0.0009","25.7372","0.001","90","","91.575","0.002","90","","5232.6","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H44 N6 Ni O25 U2 -","- C46 H42 N6 Ni O25 U2 -","- C184 H168 N24 Ni4 O100 U8 -","4","1","","Thuéry, Pierre","Uranyl‒3d block metal ion heterometallic carboxylate complexes including additional chelating nitrogen donors","CrystEngComm","2013","15","33","6533","","10.1039/c3ce40941d","","","0.71073","MoKα","","0.0557","0.0308","","","0.0507","0.0543","","","","","","0.954","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210414","12.8461","0.0006","13.7347","0.0007","13.6634","0.0005","90","","115.429","0.003","90","","2177.18","0.18","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 Cu N2 O14 U -","- C18 H18 Cu N2 O14 U -","- C72 H72 Cu4 N8 O56 U4 -","4","1","","Thuéry, Pierre","Uranyl‒3d block metal ion heterometallic carboxylate complexes including additional chelating nitrogen donors","CrystEngComm","2013","15","33","6533","","10.1039/c3ce40941d","","","0.71073","MoKα","","0.062","0.0368","","","0.076","0.0813","","","","","","0.988","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210415","7.1039","0.0002","12.1625","0.0007","22.2182","0.0014","103.229","0.003","92.916","0.004","100.199","0.004","1830.82","0.17","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H27 Cu N5 O21 U2 -","- C31 H23 Cu N5 O21 U2 -","- C62 H46 Cu2 N10 O42 U4 -","2","1","","Thuéry, Pierre","Uranyl‒3d block metal ion heterometallic carboxylate complexes including additional chelating nitrogen donors","CrystEngComm","2013","15","33","6533","","10.1039/c3ce40941d","","","0.71073","MoKα","","0.0438","0.0302","","","0.0625","0.0654","","","","","","0.988","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210416","11.7697","0.0008","12.6971","0.001","15.9821","0.0007","86.772","0.005","79.231","0.005","63.746","0.004","2103.3","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H28 N4 Ni O19 U2 -","- C32 H28 N4 Ni O19 U2 -","- C64 H56 N8 Ni2 O38 U4 -","2","1","","Thuéry, Pierre","Uranyl‒3d block metal ion heterometallic carboxylate complexes including additional chelating nitrogen donors","CrystEngComm","2013","15","33","6533","","10.1039/c3ce40941d","","","0.71073","MoKα","","0.072","0.0393","","","0.0874","0.0944","","","","","","0.915","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210417","8.2402","0.0004","18.2164","0.0014","14.1658","0.0011","90","","91.122","0.004","90","","2126","0.3","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H32 Cu2 N6 O23 U2 -","- C34 H30 Cu2 N6 O23 U2 -","- C68 H60 Cu4 N12 O46 U4 -","2","1","","Thuéry, Pierre","Uranyl‒3d block metal ion heterometallic carboxylate complexes including additional chelating nitrogen donors","CrystEngComm","2013","15","33","6533","","10.1039/c3ce40941d","","","0.71073","MoKα","","0.061","0.0545","","","0.1444","0.1483","","","","","","1.051","","","","has coordinates,has disorder","180435","2020-10-21","18:00:00",""
"7210418","13.7551","0.0009","9.6373","0.0004","24.9546","0.0013","90","","92.515","0.004","90","","3304.8","0.3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 Mn N4 O15 U2 -","- C28 H22 Mn N4 O15 U2 -","- C112 H88 Mn4 N16 O60 U8 -","4","0.5","","Thuéry, Pierre","Uranyl‒3d block metal ion heterometallic carboxylate complexes including additional chelating nitrogen donors","CrystEngComm","2013","15","33","6533","","10.1039/c3ce40941d","","","0.71073","MoKα","","0.0725","0.0474","","","0.1002","0.1077","","","","","","1.044","","","","has coordinates,has disorder","180435","2020-10-21","18:00:00",""
"7210419","11.524","0.0011","12.878","0.0013","14.498","0.0014","107.331","0.001","107.397","0.001","94.717","0.001","1925","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H16 Cu2 N12 O23 Si0.5 W6 -","- C20 H16 Cu2 N12 O23 Si0.5 W6 -","- C40 H32 Cu4 N24 O46 Si W12 -","2","1","","Shi, Zhen-yu; Zhang, Zhe-yu; Peng, Jun; Yu, Xia; Wang, Xiang","Assembly of copper‒tetrazole frameworks with role-changeable Keggin clusters: syntheses, structures, solvent-dependent luminescence and electrochemistry properties","CrystEngComm","2013","15","36","7199","","10.1039/c3ce41008k","","","0.71069","MoKα","","0.07","0.0477","","","0.102","0.1122","","","","","","1.035","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210420","23.867","","18.177","","22.425","","90","","90","","90","","9728.65","","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C60 H56.5 Cu6.5 N36 O44 Si W12 -","- C60 H26 Cu6.5 N36 O44 Si W12 -","- C240 H104 Cu26 N144 O176 Si4 W48 -","4","1","","Shi, Zhen-yu; Zhang, Zhe-yu; Peng, Jun; Yu, Xia; Wang, Xiang","Assembly of copper‒tetrazole frameworks with role-changeable Keggin clusters: syntheses, structures, solvent-dependent luminescence and electrochemistry properties","CrystEngComm","2013","15","36","7199","","10.1039/c3ce41008k","","","0.71073","MoKα","","0.048","0.0424","","","0.0952","0.0979","","","","","","1.026","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210421","25.2998","0.0038","16.844","0.0027","7.88987","0.00081","90","","90","","90","","3362.3","0.8","293","","293","","","","","","","","","4","C m c 21","C 2c -2","36","fluorescein:acridine cocrystal","","","- C46 H30 N2 O5 -","- C46 H30 N2 O5 -","- C184 H120 N8 O20 -","4","0.5","","Bučar, Dejan-Krešimir; Filip, Stefan; Arhangelskis, Mihails; Lloyd, Gareth O.; Jones, William","Advantages of mechanochemical cocrystallisation in the solid-state chemistry of pigments: colour-tuned fluorescein cocrystals","CrystEngComm","2013","15","32","6289","","10.1039/c3ce41013g","powder diffraction","","1.5418","CuKα","","","","","","","","","0.018","2.421","","","","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210422","27.7697","0.0034","15.4238","0.002","7.98164","0.00085","90","","90","","90","","3418.7","0.7","293","","293","","","","","","","","","4","C m c 21","C 2c -2","36","fluorescein:phenantridine cocrystal","","","- C46 H30 N2 O5 -","- C46 H30 N2 O5 -","- C184 H120 N8 O20 -","4","0.5","","Bučar, Dejan-Krešimir; Filip, Stefan; Arhangelskis, Mihails; Lloyd, Gareth O.; Jones, William","Advantages of mechanochemical cocrystallisation in the solid-state chemistry of pigments: colour-tuned fluorescein cocrystals","CrystEngComm","2013","15","32","6289","","10.1039/c3ce41013g","powder diffraction","","1.5418","CuKα","","","","","","","","","0.023","4.176","","","","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210423","7.81238","0.00087","19.0241","0.0017","12.788","0.0014","90","","91.1378","0.0067","90","","1900.2","0.3","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","fluorescein:pyrazine cocrystal","","","- C24 H16 N2 O5 -","- C24 H16 N2 O5 -","- C96 H64 N8 O20 -","4","1","","Bučar, Dejan-Krešimir; Filip, Stefan; Arhangelskis, Mihails; Lloyd, Gareth O.; Jones, William","Advantages of mechanochemical cocrystallisation in the solid-state chemistry of pigments: colour-tuned fluorescein cocrystals","CrystEngComm","2013","15","32","6289","","10.1039/c3ce41013g","powder diffraction","","1.5418","CuKα","","","","","","","","","0.028","1.692","","","","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210424","8.6428","0.0003","19.627","0.0007","20.9268","0.0009","90","","98.748","0.004","90","","3508.6","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H30 N2 O5 -","- C46 H30 N2 O5 -","- C184 H120 N8 O20 -","4","1","","Bučar, Dejan-Krešimir; Filip, Stefan; Arhangelskis, Mihails; Lloyd, Gareth O.; Jones, William","Advantages of mechanochemical cocrystallisation in the solid-state chemistry of pigments: colour-tuned fluorescein cocrystals","CrystEngComm","2013","15","32","6289","","10.1039/c3ce41013g","","","1.54184","CuKα","","0.0573","0.0426","","","0.1066","0.1176","","","","","","1.026","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210425","27.6912","0.0012","15.3574","0.0009","7.8814","0.0004","90","","90","","90","","3351.7","0.3","120","2","120","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C46 H30 N2 O5 -","- C46 H30 N2 O5 -","- C184 H120 N8 O20 -","4","0.5","","Bučar, Dejan-Krešimir; Filip, Stefan; Arhangelskis, Mihails; Lloyd, Gareth O.; Jones, William","Advantages of mechanochemical cocrystallisation in the solid-state chemistry of pigments: colour-tuned fluorescein cocrystals","CrystEngComm","2013","15","32","6289","","10.1039/c3ce41013g","","","0.71073","MoKα","","0.0521","0.0383","","","0.0756","0.0808","","","","","","0.972","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210426","7.606","0.0004","11.1161","0.0009","12.0927","0.0008","115.965","0.007","93.139","0.005","92.811","0.006","914.8","0.12","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H36 N2 O12 -","- C46 H36 N2 O12 -","- C46 H36 N2 O12 -","1","0.5","","Bučar, Dejan-Krešimir; Filip, Stefan; Arhangelskis, Mihails; Lloyd, Gareth O.; Jones, William","Advantages of mechanochemical cocrystallisation in the solid-state chemistry of pigments: colour-tuned fluorescein cocrystals","CrystEngComm","2013","15","32","6289","","10.1039/c3ce41013g","","","0.71073","MoKα","","0.0721","0.0521","","","0.1379","0.1496","","","","","","1.055","","","","has coordinates,has disorder","180435","2020-10-21","18:00:00",""
"7210427","8.7526","0.0008","12.8631","0.0011","14.0334","0.0014","67.419","0.009","86.643","0.008","74.314","0.008","1402.7","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H14 N5 O7 -","- C12 H15 N5 O7 -","- C48 H60 N20 O28 -","4","2","","Yan, Yan; Chen, Jia-Mei; Lu, Tong-Bu","Simultaneously enhancing the solubility and permeability of acyclovir by crystal engineering approach","CrystEngComm","2013","15","33","6457","","10.1039/c3ce41017j","","","1.54178","CuKα","","0.0682","0.0505","","","0.1236","0.1367","","","","","","1.061","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210428","8.1849","0.001","8.8476","0.0009","11.6567","0.0012","70.21","0.009","86.985","0.009","80.948","0.009","784.39","0.16","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H19 N5 O7 -","- C13 H19 N5 O7 -","- C26 H38 N10 O14 -","2","1","","Yan, Yan; Chen, Jia-Mei; Lu, Tong-Bu","Simultaneously enhancing the solubility and permeability of acyclovir by crystal engineering approach","CrystEngComm","2013","15","33","6457","","10.1039/c3ce41017j","","","1.54178","CuKα","","0.0442","0.0366","","","0.0947","0.1011","","","","","","1.034","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210429","21.3178","0.0015","6.4895","0.0005","29.435","0.002","90","","103.906","0.008","90","","3952.7","0.5","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H21 N5 O11 -","- C14 H21 N5 O11 -","- C112 H168 N40 O88 -","8","1","","Yan, Yan; Chen, Jia-Mei; Lu, Tong-Bu","Simultaneously enhancing the solubility and permeability of acyclovir by crystal engineering approach","CrystEngComm","2013","15","33","6457","","10.1039/c3ce41017j","","","1.54178","CuKα","","0.0672","0.0471","","","0.123","0.1408","","","","","","0.981","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210430","15.4477","0.0008","15.7463","0.0008","6.4254","0.0003","90","","90","","90","","1562.94","0.13","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","KE14PCY13 4-HO-PhC(CN)=NOH, 2,3,5,6-Me4-pyridine-1-oxide","","- C16 H18 N4 O3 -","- C16 H18 N4 O3 -","- C64 H72 N16 O12 -","4","1","","Aakeröy, Christer B.; Epa, Kanishka N.; Forbes, Safiyyah; Desper, John","Competing hydrogen-bond donors: phenols vs. cyanooximes","CrystEngComm","2013","15","30","5946","","10.1039/c3ce41023d","","","0.71073","MoKα","","0.0446","0.0384","","","0.1039","0.1095","","","","","","1.082","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210431","12.9863","0.0009","11.4938","0.0007","14.1061","0.0009","90","","105.555","0.002","90","","2028.4","0.2","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","KE14PCY20 4-HO-PhC(CN)=NOH, 1-[3-pyridylmethyl]-5,6-dimethylbenzimidazole","","- C23 H21 N5 O2 -","- C23 H21 N5 O2 -","- C92 H84 N20 O8 -","4","1","","Aakeröy, Christer B.; Epa, Kanishka N.; Forbes, Safiyyah; Desper, John","Competing hydrogen-bond donors: phenols vs. cyanooximes","CrystEngComm","2013","15","30","5946","","10.1039/c3ce41023d","","","0.71073","MoKα","","0.0725","0.0532","","","0.1425","0.1558","","","","","","1.073","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210432","6.178","0.0003","16.1233","0.0009","16.2481","0.0009","85.088","0.002","87.986","0.003","81.153","0.002","1592.94","0.15","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","KEPCY17 4-HO-PhC(CN)=NOH, [1-(4-pyridylmethyl)-5,6-dimethylbenzimidazole]2","","- C38 H36 N8 O2 -","- C38 H36 N8 O2 -","- C76 H72 N16 O4 -","2","1","","Aakeröy, Christer B.; Epa, Kanishka N.; Forbes, Safiyyah; Desper, John","Competing hydrogen-bond donors: phenols vs. cyanooximes","CrystEngComm","2013","15","30","5946","","10.1039/c3ce41023d","","","0.71073","MoKα","","0.0784","0.0569","","","0.1541","0.1714","","","","","","1.072","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210433","12.1479","0.0008","12.4551","0.0009","13.6598","0.001","90","","105.563","0.003","90","","1991","0.2","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 N5 O2 -","- C23 H19 N5 O2 -","- C92 H76 N20 O8 -","4","1","","Aakeröy, Christer B.; Epa, Kanishka N.; Forbes, Safiyyah; Desper, John","Competing hydrogen-bond donors: phenols vs. cyanooximes","CrystEngComm","2013","15","30","5946","","10.1039/c3ce41023d","","","1.54178","CuKα","","0.0936","0.0394","","","0.1298","0.1405","","","","","","1.087","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210434","5.5844","0.0004","12.341","0.0009","12.6218","0.001","69.286","0.004","89.334","0.005","78.144","0.005","794.5","0.11","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","KEPC11 4-HO-PhC(CN)=NOH, 4,4'-bipyridyl-1-oxide","","- C18 H14 N4 O3 -","- C18 H14 N4 O3 -","- C36 H28 N8 O6 -","2","1","","Aakeröy, Christer B.; Epa, Kanishka N.; Forbes, Safiyyah; Desper, John","Competing hydrogen-bond donors: phenols vs. cyanooximes","CrystEngComm","2013","15","30","5946","","10.1039/c3ce41023d","","","1.54178","CuKα","","0.0561","0.0466","","","0.1273","0.1372","","","","","","1.082","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210435","16.2099","0.0006","11.0498","0.0004","12.7896","0.0005","90","","103.183","0.002","90","","2230.45","0.15","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23 Cl N2 O S2 -","- C26 H23 Cl N2 O S2 -","- C104 H92 Cl4 N8 O4 S8 -","4","1","","Kumar, Abhinav; Hüch, Volker; Ram, Vishnu Ji","Partially reduced thiochromene based oxathiahelicenes: crystallographic, computational and Hirschfeld surface analyses","CrystEngComm","2013","15","35","7019","","10.1039/c3ce41078a","","","0.71073","MoKα","","0.0495","0.035","","","0.0836","0.0916","","","","","","1.048","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210436","7.6912","0.0005","9.0394","0.0006","11.8022","0.0008","105.136","0.003","107.797","0.003","94.983","0.003","741.66","0.09","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H16 N2 O2 S -","- C18 H16 N2 O2 S -","- C36 H32 N4 O4 S2 -","2","1","","Kumar, Abhinav; Hüch, Volker; Ram, Vishnu Ji","Partially reduced thiochromene based oxathiahelicenes: crystallographic, computational and Hirschfeld surface analyses","CrystEngComm","2013","15","35","7019","","10.1039/c3ce41078a","","","0.71073","MoKα","","0.0467","0.0364","","","0.1006","0.1081","","","","","","1.063","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210437","7.354","0.007","10.16","0.009","11.44","0.011","106.88","0.03","98.32","0.04","93.54","0.04","804.4","1.3","152","2","152","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H13 N O S2 -","- C21 H13 N O S2 -","- C42 H26 N2 O2 S4 -","2","1","","Kumar, Abhinav; Hüch, Volker; Ram, Vishnu Ji","Partially reduced thiochromene based oxathiahelicenes: crystallographic, computational and Hirschfeld surface analyses","CrystEngComm","2013","15","35","7019","","10.1039/c3ce41078a","","","0.71073","MoKα","","0.0484","0.0371","","","0.0932","0.0998","","","","","","1.035","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210438","16.6265","0.0017","5.0888","0.0004","20.302","0.0015","90","","103.401","0.008","90","","1671","0.3","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H12 Cl N O S -","- C21 H12 Cl N O S -","- C84 H48 Cl4 N4 O4 S4 -","4","1","","Kumar, Abhinav; Hüch, Volker; Ram, Vishnu Ji","Partially reduced thiochromene based oxathiahelicenes: crystallographic, computational and Hirschfeld surface analyses","CrystEngComm","2013","15","35","7019","","10.1039/c3ce41078a","","","0.71073","MoKα","","0.1899","0.0589","","","0.1003","0.1357","","","","","","0.966","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210439","10.5666","0.0016","23.405","0.003","11.4006","0.0015","90","","101.661","0.002","90","","2761.3","0.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H30 N6 O4 Zn -","- C28 H30 N6 O4 Zn -","- C112 H120 N24 O16 Zn4 -","4","1","","Hou, Yuan-Feng; Yu, Yang; Yue, Ke-Fen; Wei, Qing; Liu, Yong-Liang; Zhou, Chun-Sheng; Wang, Yao-Yu","Two unique entangling ZnII/CdII coordination frameworks featuring multiform helical motifs based on long mixed ligands","CrystEngComm","2013","15","36","7161","","10.1039/c3ce41127c","","","0.71073","MoKα","","0.0714","0.0416","","","0.0988","0.1126","","","","","","1.03","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210440","11.9375","0.0013","11.9375","0.0013","17.2686","0.0018","90","","90","","120","","2131.2","0.4","296","2","296","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C84 H90 Cd3 N12 O12 S6 -","- C84 H90 Cd3 N12 O12 S6 -","- C84 H90 Cd3 N12 O12 S6 -","1","0.166667","","Hou, Yuan-Feng; Yu, Yang; Yue, Ke-Fen; Wei, Qing; Liu, Yong-Liang; Zhou, Chun-Sheng; Wang, Yao-Yu","Two unique entangling ZnII/CdII coordination frameworks featuring multiform helical motifs based on long mixed ligands","CrystEngComm","2013","15","36","7161","","10.1039/c3ce41127c","","","0.71073","MoKα","","0.0527","0.0379","","","0.0971","0.111","","","","","","0.905","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210441","8.5555","0.0003","6.8611","0.0003","12.8473","0.0005","90","","97.594","0.002","90","","747.52","0.05","110","2","110","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C13 H16 Co N2 O10 -","- C13 H16 Co N2 O10 -","- C26 H32 Co2 N4 O20 -","2","0.5","","Patra, Ranjan; Titi, Hatem M.; Goldberg, Israel","1D, 2D and 3D coordination polymers of 5,5′-methylenebis(oxy)dinicotinic acid with Co(ii), Mn(ii), Cu(ii) and Cd(ii) ions","CrystEngComm","2013","15","36","7257","","10.1039/c3ce41169a","","","0.71073","MoKα","","0.0307","0.0262","","","0.0678","0.0708","","","","","","1.093","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210442","16.2119","0.0004","10.9173","0.0003","15.7225","0.0004","90","","90","","90","","2782.73","0.12","110","2","110","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C13 H12 Cu N2 O8 -","- C13 H12 Cu N2 O8 -","- C104 H96 Cu8 N16 O64 -","8","1","","Patra, Ranjan; Titi, Hatem M.; Goldberg, Israel","1D, 2D and 3D coordination polymers of 5,5′-methylenebis(oxy)dinicotinic acid with Co(ii), Mn(ii), Cu(ii) and Cd(ii) ions","CrystEngComm","2013","15","36","7257","","10.1039/c3ce41169a","","","0.71073","MoKα","","0.0444","0.0368","","","0.0922","0.0965","","","","","","1.014","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210443","8.0452","0.0002","12.6682","0.0004","18.8489","0.0006","90","","94.329","0.001","90","","1915.57","0.1","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 Cd N3 O8 -","- C17 H19 Cd N3 O8 -","- C68 H76 Cd4 N12 O32 -","4","1","","Patra, Ranjan; Titi, Hatem M.; Goldberg, Israel","1D, 2D and 3D coordination polymers of 5,5′-methylenebis(oxy)dinicotinic acid with Co(ii), Mn(ii), Cu(ii) and Cd(ii) ions","CrystEngComm","2013","15","36","7257","","10.1039/c3ce41169a","","","0.71073","MoKα","","0.034","0.0288","","","0.0696","0.0719","","","","","","1.009","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210444","7.9621","0.0002","12.726","0.0004","18.3006","0.0006","90","","90","","90","","1854.32","0.1","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 Cd N3 O8 -","- C17 H19 Cd N3 O8 -","- C68 H76 Cd4 N12 O32 -","4","1","","Patra, Ranjan; Titi, Hatem M.; Goldberg, Israel","1D, 2D and 3D coordination polymers of 5,5′-methylenebis(oxy)dinicotinic acid with Co(ii), Mn(ii), Cu(ii) and Cd(ii) ions","CrystEngComm","2013","15","36","7257","","10.1039/c3ce41169a","","","0.71073","MoKα","","0.0305","0.0291","","","0.077","0.0781","","","","","","1.036","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210445","10.7873","0.0002","26.9072","0.0005","22.3486","0.0003","90","","101.173","0.001","90","","6363.87","0.19","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H41 Co4 N9 O27 -","- C54 H41 Co4 N9 O27 -","- C216 H164 Co16 N36 O108 -","4","1","","Patra, Ranjan; Titi, Hatem M.; Goldberg, Israel","1D, 2D and 3D coordination polymers of 5,5′-methylenebis(oxy)dinicotinic acid with Co(ii), Mn(ii), Cu(ii) and Cd(ii) ions","CrystEngComm","2013","15","36","7257","","10.1039/c3ce41169a","","","0.71073","MoKα","","0.0394","0.0296","","","0.071","0.0739","","","","","","1.037","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210446","10.5259","0.0005","11.6385","0.0006","14.308","0.0006","105.079","0.002","103.924","0.002","100.717","0.002","1583.9","0.13","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H18 Mn2 N4 O13 -","- C26 H18 Mn2 N4 O13 -","- C52 H36 Mn4 N8 O26 -","2","1","","Patra, Ranjan; Titi, Hatem M.; Goldberg, Israel","1D, 2D and 3D coordination polymers of 5,5′-methylenebis(oxy)dinicotinic acid with Co(ii), Mn(ii), Cu(ii) and Cd(ii) ions","CrystEngComm","2013","15","36","7257","","10.1039/c3ce41169a","","","0.71073","MoKα","","0.0701","0.0657","","","0.1929","0.1952","","","","","","1.04","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210447","14.2941","0.0004","16.7256","0.0005","15.4016","0.0004","90","","115.904","0.002","90","","3312.22","0.17","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H29 Cd2 N5 O15.5 -","- C30 H29 Cd2 N5 O15.5 -","- C120 H116 Cd8 N20 O62 -","4","1","","Patra, Ranjan; Titi, Hatem M.; Goldberg, Israel","1D, 2D and 3D coordination polymers of 5,5′-methylenebis(oxy)dinicotinic acid with Co(ii), Mn(ii), Cu(ii) and Cd(ii) ions","CrystEngComm","2013","15","36","7257","","10.1039/c3ce41169a","","","0.71073","MoKα","","0.0775","0.0498","","","0.1157","0.1292","","","","","","1.045","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210453","25.9317","0.0014","9.034","0.0005","19.4396","0.001","90","","100.535","0.002","90","","4477.3","0.4","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H23 F3 N3 Na O7 S -","- C17 H23 F3 N3 Na O7 S -","- C136 H184 F24 N24 Na8 O56 S8 -","8","2","","Remenar, Julius F.; Tawa, Mark D.; Peterson, Matthew L.; Almarsson, Örn; Hickey, Magali B.; Foxman, Bruce M.","Celecoxib sodium salt: engineering crystal forms for performance","CrystEngComm","2011","13","4","1081","1089","10.1039/c0ce00475h","","","0.71073","MoKα","","0.0623","0.0431","","0.1163","0.1065","0.1163","","","","","","0.984","","","","has coordinates","288252","2023-12-12","14:26:25",""
"7210454","5.5","","5.128","","21.95","","90","","97.37","","90","","613.963","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 O2 -","- C7 H6 O2 -","- C28 H24 O8 -","4","1","","Schmidt, Christiane; Yürüdü, Caner; Wachsmuth, Anika; Ulrich, Joachim","Modeling the morphology of benzoic acid crystals grown from aqueous solution","CrystEngComm","2011","13","4","1159","1169","10.1039/c0ce00540a","","","","","","","","","","","","","","","","","","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210455","4.0813","0.0002","10.7319","0.0007","22.59","0.0011","90","","90","","90","","989.44","0.09","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","NmoF","","","- C12 H9 F N2 O -","- C12 H9 F N2 O -","- C48 H36 F4 N8 O4 -","4","1","","Mocilac, Pavle; Lough, Alan J.; Gallagher, John F.","Structures and conformational analysis of a 3 x 3 isomer grid of nine N-(fluorophenyl)pyridinecarboxamides","CrystEngComm","2011","13","6","1899","","10.1039/c0ce00326c","","","0.71073","MoKα","","0.0848","0.0486","","","0.1074","0.1248","","","","","","1.04","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210456","4.803","0.0004","19.1318","0.0018","10.8759","0.0008","90","","99.276","0.005","90","","986.32","0.14","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","NooF","","","- C12 H8.97 Cl0.03 F N2 O -","- C12 H8.968 Cl0.032 F N2 O -","- C48 H35.872 Cl0.128 F4 N8 O4 -","4","1","","Mocilac, Pavle; Lough, Alan J.; Gallagher, John F.","Structures and conformational analysis of a 3 x 3 isomer grid of nine N-(fluorophenyl)pyridinecarboxamides","CrystEngComm","2011","13","6","1899","","10.1039/c0ce00326c","","","0.71073","MolybdenumKα","","0.1325","0.0568","","","0.1227","0.1535","","","","","","0.995","","","","has coordinates,has disorder","180435","2020-10-21","18:00:00",""
"7210457","5.426","0.0002","7.4928","0.0003","24.0074","0.0009","80.9694","0.0018","90.041","0.002","90.243","0.002","963.94","0.06","200","2","200","2","","","","","","","","5","P -1","-P 1","2","NppF","","","- C12 H9 F N2 O -","- C12 H9 F N2 O -","- C48 H36 F4 N8 O4 -","4","2","","Mocilac, Pavle; Lough, Alan J.; Gallagher, John F.","Structures and conformational analysis of a 3 x 3 isomer grid of nine N-(fluorophenyl)pyridinecarboxamides","CrystEngComm","2011","13","6","1899","","10.1039/c0ce00326c","","","0.71073","MoKα","","0.076","0.051","","","0.1233","0.142","","","","","","1.034","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210458","11.0723","0.0007","12.8655","0.0008","7.9596","0.0003","90","","114.444","0.004","90","","1032.22","0.1","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","NpmF","","","- C12 H9 F N2 O -","- C12 H9 F N2 O -","- C48 H36 F4 N8 O4 -","4","1","","Mocilac, Pavle; Lough, Alan J.; Gallagher, John F.","Structures and conformational analysis of a 3 x 3 isomer grid of nine N-(fluorophenyl)pyridinecarboxamides","CrystEngComm","2011","13","6","1899","","10.1039/c0ce00326c","","","0.71073","MoKα","","0.0553","0.0418","","","0.1021","0.1133","","","","","","1.038","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210459","10.9275","0.0005","12.8165","0.0004","8.2422","0.0004","90","","117.13","0.002","90","","1027.33","0.08","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","NpoF","","","- C12 H9 F N2 O -","- C12 H9 F N2 O -","- C48 H36 F4 N8 O4 -","4","1","","Mocilac, Pavle; Lough, Alan J.; Gallagher, John F.","Structures and conformational analysis of a 3 x 3 isomer grid of nine N-(fluorophenyl)pyridinecarboxamides","CrystEngComm","2011","13","6","1899","","10.1039/c0ce00326c","","","0.71073","MoKα","","0.0616","0.0506","","","0.1237","0.1353","","","","","","1.062","","","","has coordinates,has disorder","180435","2020-10-21","18:00:00",""
"7210460","9.7585","0.0003","9.7644","0.0002","21.17","0.0006","96.1397","0.0017","95.7365","0.0014","89.9958","0.0018","1995.47","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","NmpF","","","- C12 H9 F N2 O -","- C12 H9 F N2 O -","- C96 H72 F8 N16 O8 -","8","4","","Mocilac, Pavle; Lough, Alan J.; Gallagher, John F.","Structures and conformational analysis of a 3 x 3 isomer grid of nine N-(fluorophenyl)pyridinecarboxamides","CrystEngComm","2011","13","6","1899","","10.1039/c0ce00326c","","","0.71073","MoKα","","0.076","0.0504","","","0.1105","0.1242","","","","","","1.039","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210461","8.8514","0.0006","12.1628","0.001","9.6489","0.0005","90","","105.823","0.004","90","","999.42","0.12","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","NmmF","","","- C12 H9 F N2 O -","- C12 H9 F N2 O -","- C48 H36 F4 N8 O4 -","4","1","","Mocilac, Pavle; Lough, Alan J.; Gallagher, John F.","Structures and conformational analysis of a 3 x 3 isomer grid of nine N-(fluorophenyl)pyridinecarboxamides","CrystEngComm","2011","13","6","1899","","10.1039/c0ce00326c","","","0.71073","MoKα","","0.0746","0.0444","","","0.1023","0.1181","","","","","","1.05","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210462","8.0622","0.0009","6.0665","0.0004","20.392","0.002","90","","95.296","0.004","90","","993.1","0.16","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","NopF","","","- C12 H8.96 Cl0.04 F N2 O -","- C12 H8.958 Cl0.042 F N2 O -","- C48 H35.832 Cl0.168 F4 N8 O4 -","4","1","","Mocilac, Pavle; Lough, Alan J.; Gallagher, John F.","Structures and conformational analysis of a 3 x 3 isomer grid of nine N-(fluorophenyl)pyridinecarboxamides","CrystEngComm","2011","13","6","1899","","10.1039/c0ce00326c","","","0.71073","MoKα","","0.142","0.0634","","","0.1333","0.1656","","","","","","1.029","","","","has coordinates,has disorder","180435","2020-10-21","18:00:00",""
"7210463","5.7289","0.0002","23.2077","0.0013","15.1001","0.0009","90","","95.26","0.003","90","","1999.17","0.18","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","NomF","","","- C12 H9 F N2 O -","- C12 H9 F N2 O -","- C96 H72 F8 N16 O8 -","8","2","","Mocilac, Pavle; Lough, Alan J.; Gallagher, John F.","Structures and conformational analysis of a 3 x 3 isomer grid of nine N-(fluorophenyl)pyridinecarboxamides","CrystEngComm","2011","13","6","1899","","10.1039/c0ce00326c","","","0.71073","MoKα","","0.19","0.0742","","","0.162","0.223","","","","","","1.067","","","","has coordinates,has disorder","180435","2020-10-21","18:00:00",""
"7210464","9.122","0.005","9.56","0.005","14.181","0.005","102.828","0.005","102.183","0.005","107.82","0.005","1094.9","0.9","294","2","294","2","","","","","","","","4","P -1","-P 1","2","1,3-Bis(4,6-dimethyl sulfanyl-1H-pyrazolo(3,4-d) pyrimidin-1- yl)-2-methylenyl propane","1,3-Bis(4,6-dimethyl sulfanyl-1H-pyrazolo[3,4-d] pyrimidin-1-yl)-2-methylenyl propane","","- C18 H20 N8 S4 -","- C18 H20 N8 S4 -","- C36 H40 N16 S8 -","2","1","","Avasthi, Kamlakar; Ansari, Amantullah; Kant, Ruchir; Maulik, Prakas R.; Ravikumar, Krishnan; Chattopadhyay, Partha; Adhikary, Nirmal D.","An alternative to ‘propylene/Leonard linker’ for studying arene interactions in flexible pyrazolo[3,4-d]pyrimidine core based models both at molecular and supramolecular levels","CrystEngComm","2011","13","6","2039","","10.1039/c0ce00336k","","","0.71069","MoKα","","0.0397","0.0369","","","0.099","0.1017","","","","","","1.033","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210465","16.357","0.003","10.062","0.002","13.506","0.003","90","","90","","90","","2222.9","0.8","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","1,3-Bis(2,6-dimethyl sulfanyl-9H-purin-9-yl)-2-methylenyl propane","1,3-Bis(2,6-dimethyl sulfanyl-9H-purin-9-yl)-2-methylenyl propane","","- C18 H20 N8 S4 -","- C18 H20 N8 S4 -","- C72 H80 N32 S16 -","4","0.5","","Avasthi, Kamlakar; Ansari, Amantullah; Kant, Ruchir; Maulik, Prakas R.; Ravikumar, Krishnan; Chattopadhyay, Partha; Adhikary, Nirmal D.","An alternative to ‘propylene/Leonard linker’ for studying arene interactions in flexible pyrazolo[3,4-d]pyrimidine core based models both at molecular and supramolecular levels","CrystEngComm","2011","13","6","2039","","10.1039/c0ce00336k","","","0.71073","MoKα","","0.0426","0.0371","","","0.1023","0.1066","","","","","","1.065","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210466","9.3786","0.0017","23.547","0.004","18.543","0.003","90","","90.617","0.003","90","","4094.8","1.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","1,3-Bis(9H-carbazol-9-yl)-2-methylenepropane","1,3-Bis(9H-carbazol-9-yl)-2-methylenepropane","","- C28 H22 N2 -","- C28 H22 N2 -","- C224 H176 N16 -","8","4","","Avasthi, Kamlakar; Ansari, Amantullah; Kant, Ruchir; Maulik, Prakas R.; Ravikumar, Krishnan; Chattopadhyay, Partha; Adhikary, Nirmal D.","An alternative to ‘propylene/Leonard linker’ for studying arene interactions in flexible pyrazolo[3,4-d]pyrimidine core based models both at molecular and supramolecular levels","CrystEngComm","2011","13","6","2039","","10.1039/c0ce00336k","","","0.71073","MoKα","","0.0954","0.0627","","","0.1473","0.2046","","","","","","1.117","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210467","10.1518","0.001","8.7585","0.0009","24.492","0.003","90","","101.961","","90","","2130.4","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1-(9H-carbazol-9-yl)-3-(4,6-dimethylsulfanyl-1H-pyrazolo (3,4- d)pyrimidin-1-yl)-2-methylenepropane","1-(9H-carbazol-9-yl)-3-(4,6-dimethylsulfanyl-1H-pyrazolo [3,4-d]pyrimidin-1-yl)-2-methylenepropane","","- C23 H21 N5 S2 -","- C23 H21 N5 S2 -","- C92 H84 N20 S8 -","4","1","","Avasthi, Kamlakar; Ansari, Amantullah; Kant, Ruchir; Maulik, Prakas R.; Ravikumar, Krishnan; Chattopadhyay, Partha; Adhikary, Nirmal D.","An alternative to ‘propylene/Leonard linker’ for studying arene interactions in flexible pyrazolo[3,4-d]pyrimidine core based models both at molecular and supramolecular levels","CrystEngComm","2011","13","6","2039","","10.1039/c0ce00336k","","","0.71073","MoKα","","0.0639","0.0434","","","0.1127","0.1224","","","","","","1.053","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210468","8.5125","0.0005","10.6289","0.0007","11.9705","0.0008","70.965","0.003","81.944","0.003","86.356","0.003","1013.56","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","1-(9H-carbazol-9-yl)-3-(4-methoxy-6-methylsulfanyl-1H- pyrazolo (3,4-d)pyrimidin-1-yl)-2-methylenepropane","1-(9H-carbazol-9-yl)-3-(4-methoxy-6-methylsulfanyl-1H-pyrazolo [3,4-d]pyrimidin-1-yl)-2-methylenepropane","","- C23 H21 N5 O S -","- C23 H21 N5 O S -","- C46 H42 N10 O2 S2 -","2","1","","Avasthi, Kamlakar; Ansari, Amantullah; Kant, Ruchir; Maulik, Prakas R.; Ravikumar, Krishnan; Chattopadhyay, Partha; Adhikary, Nirmal D.","An alternative to ‘propylene/Leonard linker’ for studying arene interactions in flexible pyrazolo[3,4-d]pyrimidine core based models both at molecular and supramolecular levels","CrystEngComm","2011","13","6","2039","","10.1039/c0ce00336k","","","0.71073","MoKα","","0.0566","0.0437","","","0.1174","0.127","","","","","","1.035","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210469","11.3","0.006","19.44","0.011","21.466","0.013","90","","90","","90","","4715","5","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C30 H42 Ca5 N12 O32 -","- C30 H42 Ca5 N12 O32 -","- C120 H168 Ca20 N48 O128 -","4","0.5","","Zhu, Qilong; Sheng, Tianlu; Fu, Ruibiao; Hu, Shengmin; Shen, Chaojun; Ma, Xiao; Wu, Xintao","Syntheses, structural aspects, luminescence and magnetism of four coordination polymers based on a new flexible polycarboxylate","CrystEngComm","2011","13","6","2096","","10.1039/c0ce00393j","","","0.71073","MoKα","","0.0982","0.0786","","","0.2105","0.2263","","","","","","1.099","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210470","9.993","0.005","20.997","0.01","22.177","0.011","90","","90","","90","","4653","4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H20 Cd3 N6 O16 -","- C15 H12 Cd3 N6 O16 -","- C120 H96 Cd24 N48 O128 -","8","1","","Zhu, Qilong; Sheng, Tianlu; Fu, Ruibiao; Hu, Shengmin; Shen, Chaojun; Ma, Xiao; Wu, Xintao","Syntheses, structural aspects, luminescence and magnetism of four coordination polymers based on a new flexible polycarboxylate","CrystEngComm","2011","13","6","2096","","10.1039/c0ce00393j","","","0.71073","MoKα","","0.0791","0.0623","","","0.1474","0.1685","","","","","","1.109","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210471","10.005","0.005","10.433","0.005","14.519","0.007","94.798","0.004","109.001","0.007","99.623","0.007","1397.2","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H64 Co3 N12 Na2 O42 -","- C30 H24 Co3 N12 Na2 O42 -","- C30 H24 Co3 N12 Na2 O42 -","1","0.5","","Zhu, Qilong; Sheng, Tianlu; Fu, Ruibiao; Hu, Shengmin; Shen, Chaojun; Ma, Xiao; Wu, Xintao","Syntheses, structural aspects, luminescence and magnetism of four coordination polymers based on a new flexible polycarboxylate","CrystEngComm","2011","13","6","2096","","10.1039/c0ce00393j","","","0.71073","MoKα","","0.0651","0.051","","","0.1531","0.1688","","","","","","1.091","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210472","20.063","0.008","12.64","0.005","21.168","0.008","90","","90.742","0.007","90","","5368","4","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C30 H59 Cu4 N12 Na O40 -","- C30 H24 Cu4 N12 Na O40 -","- C120 H96 Cu16 N48 Na4 O160 -","4","1","","Zhu, Qilong; Sheng, Tianlu; Fu, Ruibiao; Hu, Shengmin; Shen, Chaojun; Ma, Xiao; Wu, Xintao","Syntheses, structural aspects, luminescence and magnetism of four coordination polymers based on a new flexible polycarboxylate","CrystEngComm","2011","13","6","2096","","10.1039/c0ce00393j","","","0.71073","MoKα","","0.1173","0.1","","","0.2311","0.2497","","","","","","1.023","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210473","8.4701","0.0017","8.969","0.0018","9.4258","0.0019","95.7","0.03","115.11","0.03","95.39","0.03","637.8","0.3","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H10 Ce N O12 -","- C9 H10 Ce N O12 -","- C18 H20 Ce2 N2 O24 -","2","1","","Yang, Ai-Hong; Gao, Hong-Ling; Cui, Jian-Zhong; Zhao, Bin","Syntheses, structures, and photoluminescence of lanthanide coordination polymers with pyridine-2,3,5,6-tetracarboxylic acid","CrystEngComm","2011","13","6","1870","","10.1039/c0ce00397b","","","0.71073","MoKα","","0.028","0.0243","","","0.0536","0.0546","","","","","","0.988","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210474","6.759","0.0014","13.978","0.003","15.517","0.004","90","","113.3","0.03","90","","1346.4","0.6","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 K N O12 Sm -","- C9 H9 K N O12 Sm -","- C36 H36 K4 N4 O48 Sm4 -","4","1","","Yang, Ai-Hong; Gao, Hong-Ling; Cui, Jian-Zhong; Zhao, Bin","Syntheses, structures, and photoluminescence of lanthanide coordination polymers with pyridine-2,3,5,6-tetracarboxylic acid","CrystEngComm","2011","13","6","1870","","10.1039/c0ce00397b","","","0.71073","MoKα","","0.0688","0.0587","","","0.1377","0.1428","","","","","","1.13","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210475","8.4864","0.0017","8.9615","0.0018","9.4369","0.0019","95.53","0.03","115.45","0.03","95.45","0.03","637.6","0.3","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H10 N O12 Pr -","- C9 H10 N O12 Pr -","- C18 H20 N2 O24 Pr2 -","2","1","","Yang, Ai-Hong; Gao, Hong-Ling; Cui, Jian-Zhong; Zhao, Bin","Syntheses, structures, and photoluminescence of lanthanide coordination polymers with pyridine-2,3,5,6-tetracarboxylic acid","CrystEngComm","2011","13","6","1870","","10.1039/c0ce00397b","","","0.71073","MoKα","","0.0309","0.0275","","","0.0602","0.0609","","","","","","1.023","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210476","8.4917","0.0017","9.0243","0.0018","9.0255","0.0018","78.37","0.03","65.06","0.03","84.04","0.03","614.1","0.3","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H10 La N O12 -","- C9 H10 La N O12 -","- C18 H20 La2 N2 O24 -","2","1","","Yang, Ai-Hong; Gao, Hong-Ling; Cui, Jian-Zhong; Zhao, Bin","Syntheses, structures, and photoluminescence of lanthanide coordination polymers with pyridine-2,3,5,6-tetracarboxylic acid","CrystEngComm","2011","13","6","1870","","10.1039/c0ce00397b","","","0.71073","MoKα","","0.0268","0.0239","","","0.0558","0.0571","","","","","","1.131","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210477","8.69","0.006","8.933","0.006","9.369","0.006","77.65","0.03","80.88","0.02","71.042","0.019","668.8","0.8","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H10 N O12 Tb -","- C9 H10 N O12 Tb -","- C18 H20 N2 O24 Tb2 -","2","1","","Yang, Ai-Hong; Gao, Hong-Ling; Cui, Jian-Zhong; Zhao, Bin","Syntheses, structures, and photoluminescence of lanthanide coordination polymers with pyridine-2,3,5,6-tetracarboxylic acid","CrystEngComm","2011","13","6","1870","","10.1039/c0ce00397b","","","0.71073","MoKα","","0.0467","0.0424","","","0.1301","0.1312","","","","","","1.036","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210478","8.718","0.003","8.963","0.003","9.39","0.004","77.884","0.016","80.88","0.015","71.22","0.015","675.9","0.4","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H10 Eu N O12 -","- C9 H10 Eu N O12 -","- C18 H20 Eu2 N2 O24 -","2","1","","Yang, Ai-Hong; Gao, Hong-Ling; Cui, Jian-Zhong; Zhao, Bin","Syntheses, structures, and photoluminescence of lanthanide coordination polymers with pyridine-2,3,5,6-tetracarboxylic acid","CrystEngComm","2011","13","6","1870","","10.1039/c0ce00397b","","","0.71073","MoKα","","0.0603","0.0474","","","0.1047","0.1091","","","","","","0.939","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210481","14.3152","0.0016","18.995","0.002","12.6405","0.0014","90","","90","","90","","3437.2","0.7","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C32 H32 Cu2 N4 O16 -","- C32 H32 Cu2 N4 O16 -","- C128 H128 Cu8 N16 O64 -","4","0.5","","Wang, Xiu-Li; Lin, Hong-Yan; Mu, Bao; Tian, Ai-Xiang; Liu, Guo-Cheng; Hu, Ning-Hai","Copper(ii) metal‒organic networks derived from bis(pyridylformyl)piperazine ligands and aromatic polycarboxylates: 2D layered structures and a novel 3,5-connected binodal 3D topology","CrystEngComm","2011","13","6","1990","","10.1039/c0ce00400f","","","0.71073","MoKα","","0.0769","0.0403","","","0.0985","0.1163","","","","","","1.007","","","","has coordinates,has disorder","180435","2020-10-21","18:00:00",""
"7210482","9.8482","0.0011","20.186","0.002","16.4951","0.0015","90","","123.748","0.005","90","","2726.6","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 Cu N4 O9 -","- C25 H22 Cu N4 O9 -","- C100 H88 Cu4 N16 O36 -","4","1","","Wang, Xiu-Li; Lin, Hong-Yan; Mu, Bao; Tian, Ai-Xiang; Liu, Guo-Cheng; Hu, Ning-Hai","Copper(ii) metal‒organic networks derived from bis(pyridylformyl)piperazine ligands and aromatic polycarboxylates: 2D layered structures and a novel 3,5-connected binodal 3D topology","CrystEngComm","2011","13","6","1990","","10.1039/c0ce00400f","","","0.71073","MoKα","","0.0876","0.0555","","","0.1497","0.1623","","","","","","1.067","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210483","22.415","0.003","19.083","0.003","12.1863","0.0016","90","","115.048","0.003","90","","4722.4","1.2","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C34 H28 Cu2 N4 O16 -","- C34 H28 Cu2 N4 O16 -","- C136 H112 Cu8 N16 O64 -","4","0.5","","Wang, Xiu-Li; Lin, Hong-Yan; Mu, Bao; Tian, Ai-Xiang; Liu, Guo-Cheng; Hu, Ning-Hai","Copper(ii) metal‒organic networks derived from bis(pyridylformyl)piperazine ligands and aromatic polycarboxylates: 2D layered structures and a novel 3,5-connected binodal 3D topology","CrystEngComm","2011","13","6","1990","","10.1039/c0ce00400f","","","0.71073","MoKα","","0.0738","0.0421","","","0.0892","0.0958","","","","","","0.962","","","","has coordinates,has disorder","180435","2020-10-21","18:00:00",""
"7210484","9.8482","0.0011","20.186","0.002","13.7326","0.0016","90","","92.857","0.002","90","","2726.6","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H21 Cu N4 O8.5 -","- C25 H21 Cu N4 O8.5 -","- C100 H84 Cu4 N16 O34 -","4","1","","Wang, Xiu-Li; Lin, Hong-Yan; Mu, Bao; Tian, Ai-Xiang; Liu, Guo-Cheng; Hu, Ning-Hai","Copper(ii) metal‒organic networks derived from bis(pyridylformyl)piperazine ligands and aromatic polycarboxylates: 2D layered structures and a novel 3,5-connected binodal 3D topology","CrystEngComm","2011","13","6","1990","","10.1039/c0ce00400f","","","0.71073","MoKα","","0.0891","0.0568","","","0.1663","0.1889","","","","","","0.989","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210485","11.695","0.004","17.175","0.006","7.861","0.003","90","","91.037","0.007","90","","1578.7","1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H4 Br N O2 Pb -","- C6 H4 Br N O2 Pb -","- C48 H32 Br8 N8 O16 Pb8 -","8","1","","Akhbari, Kamran; Morsali, Ali","Reversible solid state structural transformation of a polyhapto lead(ii) polymeric chain to a tetrahapto lead(ii) two-dimensional network by thermal dehydration with no change in nanoplate morphology","CrystEngComm","2011","13","6","2047","","10.1039/c0ce00404a","","","0.71073","MoKα","","0.1169","0.0972","","","0.2662","0.2907","","","","","","1.103","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210486","6.0675","0.0003","6.9454","0.0003","19.8525","0.0008","90","","90","","90","","836.61","0.06","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C6 H4 Br N O3 Pb -","- C6 H6 Br N O3 Pb -","- C24 H24 Br4 N4 O12 Pb4 -","4","1","","Akhbari, Kamran; Morsali, Ali","Reversible solid state structural transformation of a polyhapto lead(ii) polymeric chain to a tetrahapto lead(ii) two-dimensional network by thermal dehydration with no change in nanoplate morphology","CrystEngComm","2011","13","6","2047","","10.1039/c0ce00404a","","","0.71073","MoKα","","0.0493","0.049","","","0.114","0.1141","","","","","","1.231","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210487","11.7518","0.0009","16.3475","0.0012","23.4131","0.0018","90","","90","","90","","4498","0.6","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H52 Cu2 N8 O14 -","- C38 H44 Cu2 N8 O14 -","- C152 H176 Cu8 N32 O56 -","4","1","","New, Siu Yee; Thio, Yude; Koh, Lip Lin; Andy Hor, T. S.; Xue, Feng","Supramolecular assembly of a new series of copper-l-arginine Schiff bases","CrystEngComm","2011","13","6","2114","","10.1039/c0ce00444h","","","0.71073","MoKα","","0.1135","0.0782","","","0.159","0.175","","","","","","1.073","","","","has coordinates,has disorder","180435","2020-10-21","18:00:00",""
"7210488","8.2119","0.0008","8.7239","0.0009","14.2024","0.0014","90.923","0.002","96.679","0.002","99.903","0.002","994.82","0.17","223","2","223","2","","","","","","","","6","P 1","P 1","1","","","","- C26 H44 Cl2 Cu2 N10 O20 -","- C26 H44 Cl2 Cu2 N10 O20 -","- C26 H44 Cl2 Cu2 N10 O20 -","1","1","","New, Siu Yee; Thio, Yude; Koh, Lip Lin; Andy Hor, T. S.; Xue, Feng","Supramolecular assembly of a new series of copper-l-arginine Schiff bases","CrystEngComm","2011","13","6","2114","","10.1039/c0ce00444h","","","0.71073","MoKα","","0.0415","0.0382","","","0.0832","0.0846","","","","","","1.01","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7210489","11.7263","0.001","19.1424","0.001","21.0208","0.0014","90","","90","","90","","4718.5","0.6","223","2","223","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C16 H32 Cu N4 O10 -","- C16 H32 Cu N4 O10 -","- C128 H256 Cu8 N32 O80 -","8","1","","New, Siu Yee; Thio, Yude; Koh, Lip Lin; Andy Hor, T. S.; Xue, Feng","Supramolecular assembly of a new series of copper-l-arginine Schiff bases","CrystEngComm","2011","13","6","2114","","10.1039/c0ce00444h","","","0.71073","MoKα","","0.053","0.0461","","","0.101","0.1038","","","","","","1.034","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210490","6.9339","0.0005","8.4735","0.0006","15.3249","0.001","75.124","0.002","82.496","0.002","80.882","0.002","855.41","0.1","223","2","223","2","","","","","","","","4","P 1","P 1","1","","","","- C17 H22 N4 O4 -","- C17 H22 N4 O4 -","- C34 H44 N8 O8 -","2","2","","New, Siu Yee; Thio, Yude; Koh, Lip Lin; Andy Hor, T. S.; Xue, Feng","Supramolecular assembly of a new series of copper-l-arginine Schiff bases","CrystEngComm","2011","13","6","2114","","10.1039/c0ce00444h","","","0.71073","MoKα","","0.0806","0.0617","","","0.1327","0.1532","","","","","","1.049","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210491","6.78048","0.00006","18.42351","0.00023","5.86807","0.00006","90","","90","","90","","733.041","0.013","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C5 Ca O5 -","- C5 Ca O5 -","- C20 Ca4 O20 -","4","1","","Miller, Stuart R.; Horcajada, Patricia; Serre, Christian","Small chemical causes drastic structural effects: the case of calcium glutarate","CrystEngComm","2011","13","6","1894","","10.1039/c0ce00450b","powder diffraction","x-ray","1.54056","CuKα","","","","","","","","0.06356","","3.66","","","","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210492","20.659","0.008","20.659","0.008","8.637","0.002","90","","90","","120","","3192.4","1.9","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","BioMIL-2ht","","","- C5 H6 Ca O4 -","- C5 H6 Ca O4 -","- C90 H108 Ca18 O72 -","18","1","","Miller, Stuart R.; Horcajada, Patricia; Serre, Christian","Small chemical causes drastic structural effects: the case of calcium glutarate","CrystEngComm","2011","13","6","1894","","10.1039/c0ce00450b","","","0.71073","MoKα","","0.202","0.0699","","","0.1438","0.1829","","","","","","0.891","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210493","24.2864","0.001","11.3217","0.0005","16.9668","0.0007","90","","107.988","0.002","90","","4437.2","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H26 N2 O11 -","- C22 H26 N2 O11 -","- C176 H208 N16 O88 -","8","1","","Elbagerma, M. A.; Edwards, H. G. M.; Munshi, T.; Scowen, I. J.","Identification of a new cocrystal of citric acid and paracetamol of pharmaceutical relevance","CrystEngComm","2011","13","6","1877","","10.1039/c0ce00461h","","","0.71073","MoKα","","0.0839","0.0474","","","0.0811","0.092","","","","","","1.011","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210494","10.568","0.002","13.363","0.003","13.111","0.003","90","","112.4","0.03","90","","1711.8","0.7","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H47 Co2 N4 O9.5 -","- C34 H47 Co2 N4 O9.5 -","- C68 H94 Co4 N8 O19 -","2","1","","Wu, Jing-Yun; Huang, Sheng-Ming","Homochiral transition-metal camphorate coordination architectures containing ""piperazine‒pyridine"" ligands","CrystEngComm","2011","13","6","2062","2070","10.1039/c0ce00552e","","","0.71073","MoKα","","0.044","0.0355","","","0.0913","0.1054","","","","","","1.122","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210495","7.4338","0.0006","20.8333","0.0016","22.0157","0.0015","90","","90.768","0.001","90","","3409.3","0.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H46 Cd N4 O8 -","- C34 H46 Cd N4 O8 -","- C136 H184 Cd4 N16 O32 -","4","2","","Wu, Jing-Yun; Huang, Sheng-Ming","Homochiral transition-metal camphorate coordination architectures containing ""piperazine‒pyridine"" ligands","CrystEngComm","2011","13","6","2062","2070","10.1039/c0ce00552e","","","0.71073","MoKα","","0.0681","0.0544","","","0.1394","0.169","","","","","","1.092","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210496","7.146","0.0004","20.3903","0.0011","22.8153","0.0012","90","","91.79","0.004","90","","3322.8","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H46 N4 O8 Zn -","- C34 H46 N4 O8 Zn -","- C136 H184 N16 O32 Zn4 -","4","2","","Wu, Jing-Yun; Huang, Sheng-Ming","Homochiral transition-metal camphorate coordination architectures containing ""piperazine‒pyridine"" ligands","CrystEngComm","2011","13","6","2062","2070","10.1039/c0ce00552e","","","0.71073","MoKα","","0.1072","0.0636","","","0.1593","0.1924","","","","","","1.028","","","","has coordinates,has disorder","180435","2020-10-21","18:00:00",""
"7210497","21.088","0.004","12.195","0.002","12.63","0.003","90","","120.74","0.03","90","","2791.7","1.3","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H34 Co2 N4 O7 -","- C26 H34 Co2 N4 O7 -","- C104 H136 Co8 N16 O28 -","4","1","","Wu, Jing-Yun; Huang, Sheng-Ming","Homochiral transition-metal camphorate coordination architectures containing ""piperazine‒pyridine"" ligands","CrystEngComm","2011","13","6","2062","2070","10.1039/c0ce00552e","","","0.71073","MoKα","","0.0663","0.0478","","","0.1092","0.12","","","","","","1.025","","","","has coordinates,has disorder","180435","2020-10-21","18:00:00",""
"7210498","12.623","0.003","12.253","0.003","18.244","0.004","90","","95.69","0.03","90","","2807.9","1.1","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H34 N4 O7 Zn2 -","- C26 H34 N4 O7 Zn2 -","- C104 H136 N16 O28 Zn8 -","4","2","","Wu, Jing-Yun; Huang, Sheng-Ming","Homochiral transition-metal camphorate coordination architectures containing ""piperazine‒pyridine"" ligands","CrystEngComm","2011","13","6","2062","2070","10.1039/c0ce00552e","","","0.71073","MoKα","","0.0642","0.0487","","","0.129","0.1475","","","","","","1.058","","","","has coordinates,has disorder","180435","2020-10-21","18:00:00",""
"7210499","10.309","0.004","13.977","0.005","15.65","0.006","71.099","0.006","84.32","0.005","72.49","0.006","2034.5","1.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H32 Cd2 N8 O14 -","- C40 H28 Cd2 N8 O14 -","- C80 H56 Cd4 N16 O28 -","2","1","","Chen, Jing; Li, Cheng-Peng; Du, Miao","Substituent effect of R-isophthalates (R = ‒H, ‒CH3, ‒OCH3, ‒tBu, ‒OH, and ‒NO2) on the construction of CdII coordination polymers incorporating a dipyridyl tecton 2,5-bis(3-pyridyl)-1,3,4-oxadiazole","CrystEngComm","2011","13","6","1885","","10.1039/c0ce00555j","","","0.71073","MoKα","","0.0554","0.0346","","","0.081","0.0987","","","","","","1.1","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210500","29.7088","0.001","29.7088","0.001","10.3135","0.0007","90","","90","","90","","9102.8","0.8","296","2","296","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C21 H14 Cd N4 O5 -","- C21 H14 Cd N4 O5 -","- C336 H224 Cd16 N64 O80 -","16","1","","Chen, Jing; Li, Cheng-Peng; Du, Miao","Substituent effect of R-isophthalates (R = ‒H, ‒CH3, ‒OCH3, ‒tBu, ‒OH, and ‒NO2) on the construction of CdII coordination polymers incorporating a dipyridyl tecton 2,5-bis(3-pyridyl)-1,3,4-oxadiazole","CrystEngComm","2011","13","6","1885","","10.1039/c0ce00555j","","","0.71073","MoKα","","0.0796","0.0563","","","0.1334","0.1488","","","","","","1.081","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210501","21.225","0.002","17.3202","0.0018","21.869","0.002","90","","101.709","0.002","90","","7872.2","1.3","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C72 H68 Cd4 N12 O33 -","- C72 H62 Cd4 N12 O33 -","- C288 H248 Cd16 N48 O132 -","4","1","","Chen, Jing; Li, Cheng-Peng; Du, Miao","Substituent effect of R-isophthalates (R = ‒H, ‒CH3, ‒OCH3, ‒tBu, ‒OH, and ‒NO2) on the construction of CdII coordination polymers incorporating a dipyridyl tecton 2,5-bis(3-pyridyl)-1,3,4-oxadiazole","CrystEngComm","2011","13","6","1885","","10.1039/c0ce00555j","","","0.71073","MoKα","","0.0358","0.0294","","","0.0679","0.0714","","","","","","1.028","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210502","23.9052","0.0009","16.4095","0.0006","10.3284","0.0004","90","","102.334","0.001","90","","3958","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H40 Cd2 N4 O13 -","- C36 H40 Cd2 N4 O13 -","- C144 H160 Cd8 N16 O52 -","4","0.5","","Chen, Jing; Li, Cheng-Peng; Du, Miao","Substituent effect of R-isophthalates (R = ‒H, ‒CH3, ‒OCH3, ‒tBu, ‒OH, and ‒NO2) on the construction of CdII coordination polymers incorporating a dipyridyl tecton 2,5-bis(3-pyridyl)-1,3,4-oxadiazole","CrystEngComm","2011","13","6","1885","","10.1039/c0ce00555j","","","0.71073","MoKα","","0.0386","0.0282","","","0.0688","0.0749","","","","","","1.02","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210503","12.912","0.0018","14.868","0.002","17.797","0.003","99.296","0.002","107.664","0.002","100.141","0.003","3119.4","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H52 Cd2 N12 O23 -","- C52 H38 Cd2 N12 O23 -","- C104 H76 Cd4 N24 O46 -","2","1","","Chen, Jing; Li, Cheng-Peng; Du, Miao","Substituent effect of R-isophthalates (R = ‒H, ‒CH3, ‒OCH3, ‒tBu, ‒OH, and ‒NO2) on the construction of CdII coordination polymers incorporating a dipyridyl tecton 2,5-bis(3-pyridyl)-1,3,4-oxadiazole","CrystEngComm","2011","13","6","1885","","10.1039/c0ce00555j","","","0.71073","MoKα","","0.1199","0.0543","","","0.1419","0.1806","","","","","","1.005","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210504","10.2623","0.0006","10.887","0.0006","10.9849","0.0007","70.711","0.001","73.583","0.001","70.18","0.001","1069.47","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H13 Cd N5 O8 -","- C20 H11 Cd N5 O8 -","- C40 H22 Cd2 N10 O16 -","2","1","","Chen, Jing; Li, Cheng-Peng; Du, Miao","Substituent effect of R-isophthalates (R = ‒H, ‒CH3, ‒OCH3, ‒tBu, ‒OH, and ‒NO2) on the construction of CdII coordination polymers incorporating a dipyridyl tecton 2,5-bis(3-pyridyl)-1,3,4-oxadiazole","CrystEngComm","2011","13","6","1885","","10.1039/c0ce00555j","","","0.71073","MoKα","","0.0298","0.0261","","","0.0719","0.0745","","","","","","1.09","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210505","16.2942","0.0003","15.3925","0.0004","50.4286","0.0013","90","","96.817","0.002","90","","12558.5","0.5","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C168 H364 Cl24 N24 Nd8 O74 -","- C168 H312 Cl24 N24 Nd8 O74 -","- C336 H624 Cl48 N48 Nd16 O148 -","2","0.5","","Peng, Jun-Bo; Ren, Yan-Ping; Kong, Xiang-Jian; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","A series of di-, tri- and tetranuclear lanthanide clusters with slow magnetic relaxation for Dy2 and Dy4","CrystEngComm","2011","13","6","2084","2090","10.1039/c0ce00589d","","","0.71073","MoKα","","0.1024","0.0574","","","0.0634","0.0686","","","","","","1.004","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210506","41.1341","0.0003","41.1341","0.0003","41.1341","0.0003","90","","90","","90","","69599.5","0.9","173","2","173","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C168 H478 Cl36 Dy12 N24 O131 -","- C168 H312 Cl36 Dy12 N24 O131 -","- C1344 H2496 Cl288 Dy96 N192 O1048 -","8","0.333333","","Peng, Jun-Bo; Ren, Yan-Ping; Kong, Xiang-Jian; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","A series of di-, tri- and tetranuclear lanthanide clusters with slow magnetic relaxation for Dy2 and Dy4","CrystEngComm","2011","13","6","2084","2090","10.1039/c0ce00589d","","","0.71073","MoKα","","0.1547","0.0585","","","0.0889","0.0959","","","","","","0.962","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210507","14.5606","0.0003","27.2041","0.0005","29.0262","0.0005","90","","90.814","0.002","90","","11496.4","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70 H150 Cl9 La3 N10 O66 -","- C70 H130 Cl9 La3 N10 O66 -","- C280 H520 Cl36 La12 N40 O264 -","4","1","","Peng, Jun-Bo; Ren, Yan-Ping; Kong, Xiang-Jian; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","A series of di-, tri- and tetranuclear lanthanide clusters with slow magnetic relaxation for Dy2 and Dy4","CrystEngComm","2011","13","6","2084","2090","10.1039/c0ce00589d","","","0.71073","MoKα","","0.0575","0.0374","","","0.082","0.0846","","","","","","1.08","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210508","14.524","0.0002","27.1221","0.0005","28.9263","0.0005","90","","90.599","0.002","90","","11394.1","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70 H150 Cl9 N10 Nd3 O66 -","- C70 H130 Cl9 N10 Nd3 O66 -","- C280 H520 Cl36 N40 Nd12 O264 -","4","1","","Peng, Jun-Bo; Ren, Yan-Ping; Kong, Xiang-Jian; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","A series of di-, tri- and tetranuclear lanthanide clusters with slow magnetic relaxation for Dy2 and Dy4","CrystEngComm","2011","13","6","2084","2090","10.1039/c0ce00589d","","","0.71073","MoKα","","0.1096","0.0874","","","0.2051","0.2126","","","","","","1.064","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210509","13.1386","0.0002","26.5893","0.0006","26.6992","0.0005","90","","90","","90","","9327.3","0.3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H118 Cl8 Dy4 N6 O66 -","- C42 H82 Cl8 Dy4 N6 O66 -","- C168 H328 Cl32 Dy16 N24 O264 -","4","1","","Peng, Jun-Bo; Ren, Yan-Ping; Kong, Xiang-Jian; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","A series of di-, tri- and tetranuclear lanthanide clusters with slow magnetic relaxation for Dy2 and Dy4","CrystEngComm","2011","13","6","2084","2090","10.1039/c0ce00589d","","","0.71073","MoKα","","0.0574","0.0382","","","0.0481","0.0503","","","","","","0.825","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210510","13.0726","0.0002","26.5154","0.0004","26.5492","0.0003","90","","90","","90","","9202.6","0.2","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H118 Cl8 N6 O66 Yb4 -","- C42 H82 Cl8 N6 O66 Yb4 -","- C168 H328 Cl32 N24 O264 Yb16 -","4","1","","Peng, Jun-Bo; Ren, Yan-Ping; Kong, Xiang-Jian; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","A series of di-, tri- and tetranuclear lanthanide clusters with slow magnetic relaxation for Dy2 and Dy4","CrystEngComm","2011","13","6","2084","2090","10.1039/c0ce00589d","","","0.71073","MoKα","","0.0359","0.0286","","","0.0462","0.0471","","","","","","1.005","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210511","6.7993","0.0004","19.135","0.001","12.7204","0.0006","90","","94.261","0.002","90","","1650.41","0.15","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H44 Ag2 N8 -","- C30 H44 Ag2 N8 -","- C60 H88 Ag4 N16 -","2","0.5","","Dechambenoit, Pierre; Ferlay, Sylvie; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: control of packing of luminescent networks formed upon combining bisamidinium tectons with dicyanometallates","CrystEngComm","2011","13","6","1922","","10.1039/c0ce00607f","","","0.71073","MoKα","","0.0566","0.0315","","","0.0511","0.054","","","","","","1.065","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210512","6.4924","0.0004","13.0691","0.0008","13.8015","0.0007","90.224","0.002","95.777","0.002","98.978","0.002","1150.6","0.12","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H68 Ag2 N8 -","- C42 H68 Ag2 N8 -","- C42 H68 Ag2 N8 -","1","0.5","","Dechambenoit, Pierre; Ferlay, Sylvie; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: control of packing of luminescent networks formed upon combining bisamidinium tectons with dicyanometallates","CrystEngComm","2011","13","6","1922","","10.1039/c0ce00607f","","","0.71073","MoKα","","0.0594","0.0393","","","0.0959","0.1032","","","","","","1.028","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210513","8.417","0.003","10.601","0.004","38.544","0.011","90","","95.129","0.011","90","","3425","2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C66 H116 Au2 N8 -","- C66 H116 Au2 N8 -","- C132 H232 Au4 N16 -","2","0.5","","Dechambenoit, Pierre; Ferlay, Sylvie; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: control of packing of luminescent networks formed upon combining bisamidinium tectons with dicyanometallates","CrystEngComm","2011","13","6","1922","","10.1039/c0ce00607f","","","0.71073","MoKα","","0.153","0.0572","","","0.0814","0.1001","","","","","","1.042","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210514","6.5286","0.0013","12.843","0.003","13.746","0.003","89.31","0.03","83.39","0.03","81.26","0.03","1131.6","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H68 Au2 N8 -","- C42 H68 Au2 N8 -","- C42 H68 Au2 N8 -","1","0.5","","Dechambenoit, Pierre; Ferlay, Sylvie; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: control of packing of luminescent networks formed upon combining bisamidinium tectons with dicyanometallates","CrystEngComm","2011","13","6","1922","","10.1039/c0ce00607f","","","0.71073","MoKα","","0.0512","0.034","","","0.069","0.0733","","","","","","1.021","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210515","6.6481","0.0003","11.9345","0.0006","22.3115","0.001","78.366","0.003","88.925","0.004","85.506","0.003","1728.53","0.14","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C66 H116 Ag2 N8 -","- C66 H116 Ag2 N8 -","- C66 H116 Ag2 N8 -","1","0.5","","Dechambenoit, Pierre; Ferlay, Sylvie; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: control of packing of luminescent networks formed upon combining bisamidinium tectons with dicyanometallates","CrystEngComm","2011","13","6","1922","","10.1039/c0ce00607f","","","0.71073","MoKα","","0.1269","0.0556","","","0.0999","0.1155","","","","","","1.111","","","","has coordinates,has disorder","180436","2020-10-21","18:00:00",""
"7210516","6.5879","0.0002","11.3381","0.0004","12.2853","0.0004","112.829","0.001","91.858","0.001","104.274","0.001","811.18","0.05","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H44 Ag2 N8 -","- C30 H44 Ag2 N8 -","- C30 H44 Ag2 N8 -","1","0.5","","Dechambenoit, Pierre; Ferlay, Sylvie; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: control of packing of luminescent networks formed upon combining bisamidinium tectons with dicyanometallates","CrystEngComm","2011","13","6","1922","","10.1039/c0ce00607f","","","0.71073","MoKα","","0.0303","0.0225","","","0.0552","0.0587","","","","","","1.02","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210517","9.2183","0.0007","9.5015","0.0007","24.6412","0.0018","83.832","0.003","81.225","0.002","76.505","0.003","2068.3","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H72 Cl2 N4 O2 -","- C38 H72 Cl2 N4 O2 -","- C76 H144 Cl4 N8 O4 -","2","1","","Dechambenoit, Pierre; Ferlay, Sylvie; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: control of packing of luminescent networks formed upon combining bisamidinium tectons with dicyanometallates","CrystEngComm","2011","13","6","1922","","10.1039/c0ce00607f","","","0.71073","MoKα","","0.1236","0.0562","","","0.1197","0.1466","","","","","","1.025","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210518","8.7957","0.0003","26.8487","0.0008","10.6539","0.0004","90","","105.745","0.002","90","","2421.55","0.14","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,2-Diphenyl-ethane-1,2-dione monooxime","1,2-Diphenyl-ethane-1,2-dione monooxime","","- C14 H11 N O2 -","- C14 H11 N O2 -","- C112 H88 N8 O16 -","8","2","","Klein, Cornelia; Fischer, Conrad; Seichter, Wilhelm; Schwarzer, Anke; Weber, Edwin","Crystal structures of benzil monoximes controlled through configurational isomerism, molecular substitution and external complexation","CrystEngComm","2011","13","6","1931","","10.1039/c0ce00620c","","","0.71073","MoKα","","0.0888","0.0494","","","0.1509","0.1757","","","","","","0.953","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210519","6.9211","0.0003","7.0512","0.0002","22.9837","0.0007","90","","93.948","0.002","90","","1118.99","0.07","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H11 N O2 -","- C14 H11 N O2 -","- C56 H44 N4 O8 -","4","1","","Klein, Cornelia; Fischer, Conrad; Seichter, Wilhelm; Schwarzer, Anke; Weber, Edwin","Crystal structures of benzil monoximes controlled through configurational isomerism, molecular substitution and external complexation","CrystEngComm","2011","13","6","1931","","10.1039/c0ce00620c","","","0.71073","MoKα","","0.0725","0.0603","","","0.1561","0.1663","","","","","","1.135","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210520","6.015","0.001","7.3126","0.0013","31.207","0.006","90","","90","","90","","1372.6","0.4","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1,2-Bis-(4-methoxy-phenyl)-ethane-1,2-dione monooxime","1,2-Bis-(4-methoxy-phenyl)-ethane-1,2-dione monooxime","","- C16 H15 N O4 -","- C16 H15 N O4 -","- C64 H60 N4 O16 -","4","1","","Klein, Cornelia; Fischer, Conrad; Seichter, Wilhelm; Schwarzer, Anke; Weber, Edwin","Crystal structures of benzil monoximes controlled through configurational isomerism, molecular substitution and external complexation","CrystEngComm","2011","13","6","1931","","10.1039/c0ce00620c","","","0.71073","MoKα","","0.0861","0.0733","","","0.1662","0.1709","","","","","","1.097","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210521","19.219","0.003","11.4306","0.0012","19.51","0.003","90","","90","","90","","4286","1","93","2","93","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","1,2-Bis-(4-methoxy-phenyl)-ethane-1,2-dione monooxime NEt3","1,2-Bis-(4-methoxy-phenyl)-ethane-1,2-dione monooxime NEt3","","- C22 H30 N2 O4 -","- C22 H30 N2 O4 -","- C176 H240 N16 O32 -","8","1","","Klein, Cornelia; Fischer, Conrad; Seichter, Wilhelm; Schwarzer, Anke; Weber, Edwin","Crystal structures of benzil monoximes controlled through configurational isomerism, molecular substitution and external complexation","CrystEngComm","2011","13","6","1931","","10.1039/c0ce00620c","","","0.71073","MoKα","","0.0774","0.0443","","","0.1007","0.1111","","","","","","1.066","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210522","11.6509","0.0011","8.9059","0.001","14.749","0.0015","90","","109.79","0.001","90","","1440","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H6 Hg2 N2 O8 -","- C14 H6 Hg2 N2 O8 -","- C56 H24 Hg8 N8 O32 -","4","1","","Chen, Zilu; Wu, Xuxian; Qin, Suni; Lei, Chaohai; Liang, Fupei","Structure and fluorescent properties of mercury(ii) pyridine-2,3-dicarboxylate coordination polymers tuned by ancillary ligands and alkaline-earth metal ions","CrystEngComm","2011","13","6","2029","","10.1039/c0ce00624f","","","0.71073","MoKα","","0.0348","0.0259","","","0.0576","0.0602","","","","","","0.967","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210523","8.3973","0.0017","20.078","0.004","13.076","0.004","90","","125.08","0.02","90","","1804.2","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 Hg N3 O6 -","- C19 H15 Hg N3 O6 -","- C76 H60 Hg4 N12 O24 -","4","1","","Chen, Zilu; Wu, Xuxian; Qin, Suni; Lei, Chaohai; Liang, Fupei","Structure and fluorescent properties of mercury(ii) pyridine-2,3-dicarboxylate coordination polymers tuned by ancillary ligands and alkaline-earth metal ions","CrystEngComm","2011","13","6","2029","","10.1039/c0ce00624f","","","0.71073","MoKα","","0.0438","0.0386","","","0.1187","0.1227","","","","","","1.089","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210524","17.0665","0.0019","6.853","0.001","15.3784","0.0014","90","","116.652","0.001","90","","1607.5","0.3","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 Ca Hg N3 O7 S2 -","- C9 H9 Ca Hg N3 O7 S2 -","- C36 H36 Ca4 Hg4 N12 O28 S8 -","4","1","","Chen, Zilu; Wu, Xuxian; Qin, Suni; Lei, Chaohai; Liang, Fupei","Structure and fluorescent properties of mercury(ii) pyridine-2,3-dicarboxylate coordination polymers tuned by ancillary ligands and alkaline-earth metal ions","CrystEngComm","2011","13","6","2029","","10.1039/c0ce00624f","","","0.71073","MoKα","","0.0445","0.0287","","","0.0624","0.0681","","","","","","1.005","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210525","30.74","0.003","6.8408","0.0005","15.7361","0.0018","90","","100.679","0.002","90","","3251.8","0.5","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C9 H9 Hg N3 O7 S2 Sr -","- C9 H9 Hg N3 O7 S2 Sr -","- C72 H72 Hg8 N24 O56 S16 Sr8 -","8","1","","Chen, Zilu; Wu, Xuxian; Qin, Suni; Lei, Chaohai; Liang, Fupei","Structure and fluorescent properties of mercury(ii) pyridine-2,3-dicarboxylate coordination polymers tuned by ancillary ligands and alkaline-earth metal ions","CrystEngComm","2011","13","6","2029","","10.1039/c0ce00624f","","","0.71073","MoKα","","0.0557","0.0443","","","0.1116","0.1176","","","","","","0.997","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210526","30.645","0.003","7.0037","0.0009","15.9747","0.0019","90","","100.309","0.002","90","","3373.3","0.7","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C9 H9 Ba Hg N3 O7 S2 -","- C9 H9 Ba Hg N3 O7 S2 -","- C72 H72 Ba8 Hg8 N24 O56 S16 -","8","1","","Chen, Zilu; Wu, Xuxian; Qin, Suni; Lei, Chaohai; Liang, Fupei","Structure and fluorescent properties of mercury(ii) pyridine-2,3-dicarboxylate coordination polymers tuned by ancillary ligands and alkaline-earth metal ions","CrystEngComm","2011","13","6","2029","","10.1039/c0ce00624f","","","0.71073","MoKα","","0.071","0.0366","","","0.0526","0.0589","","","","","","0.849","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210527","12.1516","0.0005","8.0418","0.0003","18.4027","0.0008","90","","98.503","0.001","90","","1778.56","0.13","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 N2 O6 Zn -","- C16 H16 N2 O6 Zn -","- C64 H64 N8 O24 Zn4 -","4","1","","Wang, Chih-Chieh; Chung, Wen-Chun; Lin, Hui-Wun; Dai, Shuen-Chieh; Shiu, Jia-Shiuan; Lee, Gene-Hsiang; Sheu, Hwo-Shuenn; Lee, William","Assembly of two Zinc(ii)-squarate coordination polymers with noncovalent and covalent bonds derived from flexible ligands, 1,2-bis(4-pyridyl)ethane (dpe)","CrystEngComm","2011","13","6","2130","","10.1039/c0ce00644k","","","0.71073","MoKα","","0.0578","0.0485","","","0.0924","0.0962","","","","","","1.213","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210528","8.0228","0.0003","8.1119","0.0003","19.1586","0.0008","78.6019","0.0014","87.3341","0.0013","88.6256","0.0014","1220.79","0.08","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H23 N2 O15 Zn2 -","- C22 H23 N2 O15 Zn2 -","- C44 H46 N4 O30 Zn4 -","2","1","","Wang, Chih-Chieh; Chung, Wen-Chun; Lin, Hui-Wun; Dai, Shuen-Chieh; Shiu, Jia-Shiuan; Lee, Gene-Hsiang; Sheu, Hwo-Shuenn; Lee, William","Assembly of two Zinc(ii)-squarate coordination polymers with noncovalent and covalent bonds derived from flexible ligands, 1,2-bis(4-pyridyl)ethane (dpe)","CrystEngComm","2011","13","6","2130","","10.1039/c0ce00644k","","","0.71073","MoKα","","0.0533","0.045","","","0.1079","0.1178","","","","","","1.196","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210529","12.2208","0.0002","12.2208","0.0002","25.9835","0.0007","90","","90","","120","","3360.68","0.12","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C30 H22 O48 Sc7 -","- C30 H18 O48 Sc7 -","- C90 H54 O144 Sc21 -","3","0.166667","","Bernini, Maria Celeste; Snejko, Natalia; Gutierrez-Puebla, Enrique; Monge, Angeles","From globular star-shaped molecules to self-assembled nano-spheres: a novel scandium croconate polynuclear complex","CrystEngComm","2011","13","6","1797","","10.1039/c0ce00649a","","","1.54178","CuKα","","0.0313","0.029","","","0.087","0.0881","","","","","","1.067","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210530","14.4171","0.0008","8.0418","0.0004","31.454","0.002","90","","90","","90","","3646.8","0.4","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2,6-bis(2,4-dichlorobenzylidene)cyclohexanone","","","- C20 H14 Cl4 O -","- C20 H14 Cl4 O -","- C160 H112 Cl32 O8 -","8","1","","Bond, Andrew D.; Solanko, Katarzyna A.; van de Streek, Jacco; Neumann, Marcus A.","Experimental verification of a subtle low-temperature phase transition suggested by DFT-D energy minimisation","CrystEngComm","2011","13","6","1768","","10.1039/c0ce00676a","","","0.71073","MoKα","","0.0867","0.0364","","","0.0629","0.076","","","","","","0.991","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210531","14.4059","0.0011","7.9797","0.0003","31.467","0.002","90","","90","","90","","3617.3","0.4","250","2","250","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2,6-bis(2,4-dichlorobenzylidene)cyclohexanone","","","- C20 H14 Cl4 O -","- C20 H14 Cl4 O -","- C160 H112 Cl32 O8 -","8","1","","Bond, Andrew D.; Solanko, Katarzyna A.; van de Streek, Jacco; Neumann, Marcus A.","Experimental verification of a subtle low-temperature phase transition suggested by DFT-D energy minimisation","CrystEngComm","2011","13","6","1768","","10.1039/c0ce00676a","","","0.71073","MoKα","","0.0817","0.04","","","0.0705","0.0839","","","","","","1.02","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210532","14.3893","0.0012","7.9176","0.0004","31.485","0.003","90","","90","","90","","3587","0.5","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2,6-bis(2,4-dichlorobenzylidene)cyclohexanone","","","- C20 H14 Cl4 O -","- C20 H14 Cl4 O -","- C160 H112 Cl32 O8 -","8","1","","Bond, Andrew D.; Solanko, Katarzyna A.; van de Streek, Jacco; Neumann, Marcus A.","Experimental verification of a subtle low-temperature phase transition suggested by DFT-D energy minimisation","CrystEngComm","2011","13","6","1768","","10.1039/c0ce00676a","","","0.71073","MoKα","","0.0891","0.0431","","","0.0699","0.0824","","","","","","0.975","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210533","14.3879","0.0013","7.8591","0.0008","31.494","0.003","90","","90","","90","","3561.2","0.6","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2,6-bis(2,4-dichlorobenzylidene)cyclohexanone","","","- C20 H14 Cl4 O -","- C20 H14 Cl4 O -","- C160 H112 Cl32 O8 -","8","1","","Bond, Andrew D.; Solanko, Katarzyna A.; van de Streek, Jacco; Neumann, Marcus A.","Experimental verification of a subtle low-temperature phase transition suggested by DFT-D energy minimisation","CrystEngComm","2011","13","6","1768","","10.1039/c0ce00676a","","","0.71073","MoKα","","0.0596","0.0353","","","0.0696","0.0777","","","","","","1.031","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210534","14.3623","0.0006","7.823","0.0004","31.5402","0.0013","90","","90","","90","","3543.7","0.3","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2,6-bis(2,4-dichlorobenzylidene)cyclohexanone","","","- C20 H14 Cl4 O -","- C20 H14 Cl4 O -","- C160 H112 Cl32 O8 -","8","1","","Bond, Andrew D.; Solanko, Katarzyna A.; van de Streek, Jacco; Neumann, Marcus A.","Experimental verification of a subtle low-temperature phase transition suggested by DFT-D energy minimisation","CrystEngComm","2011","13","6","1768","","10.1039/c0ce00676a","","","0.71073","MoKα","","0.0464","0.0335","","","0.0797","0.0845","","","","","","1.035","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210535","14.384","0.0005","7.7638","0.0003","31.8297","0.0011","90","","90","","90","","3554.6","0.2","110","2","110","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2,6-bis(2,4-dichlorobenzylidene)cyclohexanone","","","- C20 H14 Cl4 O -","- C20 H14 Cl4 O -","- C160 H112 Cl32 O8 -","8","1","","Bond, Andrew D.; Solanko, Katarzyna A.; van de Streek, Jacco; Neumann, Marcus A.","Experimental verification of a subtle low-temperature phase transition suggested by DFT-D energy minimisation","CrystEngComm","2011","13","6","1768","","10.1039/c0ce00676a","","","0.71073","MoKα","","0.0678","0.0515","","","0.132","0.1371","","","","","","1.276","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210536","14.365","0.0005","7.7434","0.0002","31.8361","0.001","90","","90","","90","","3541.25","0.19","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2,6-bis(2,4-dichlorobenzylidene)cyclohexanone","","","- C20 H14 Cl4 O -","- C20 H14 Cl4 O -","- C160 H112 Cl32 O8 -","8","1","","Bond, Andrew D.; Solanko, Katarzyna A.; van de Streek, Jacco; Neumann, Marcus A.","Experimental verification of a subtle low-temperature phase transition suggested by DFT-D energy minimisation","CrystEngComm","2011","13","6","1768","","10.1039/c0ce00676a","","","0.71073","MoKα","","0.0388","0.032","","","0.0717","0.0744","","","","","","1.125","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210537","12.4169","0.0006","9.8259","0.0006","14.0212","0.0009","90","","91.585","0.005","90","","1710.03","0.17","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 O4 -","- C20 H20 O4 -","- C80 H80 O16 -","4","0.5","","Li, Yu; Song, Datong","Syntheses, structures and luminescent properties of decorated lanthanide metal-organic frameworks of (E)-4,4'-(ethene-1,2-diyl)dibenzoic acids","CrystEngComm","2011","13","6","1821","1830","10.1039/c0ce00750a","","","0.71073","MoKα","","0.1338","0.0517","","","0.1041","0.1332","","","","","","0.967","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210538","12.0232","0.0012","8.3543","0.0012","17.166","0.002","90","","98.84","0.005","90","","1703.8","0.4","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 O4 -","- C20 H20 O4 -","- C80 H80 O16 -","4","0.5","","Li, Yu; Song, Datong","Syntheses, structures and luminescent properties of decorated lanthanide metal-organic frameworks of (E)-4,4'-(ethene-1,2-diyl)dibenzoic acids","CrystEngComm","2011","13","6","1821","1830","10.1039/c0ce00750a","","","0.71073","MoKα","","0.1105","0.0535","","","0.1353","0.1646","","","","","","1.012","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210539","5.6686","0.0002","7.1886","0.0003","12.3615","0.0005","75.833","0.002","80.649","0.001","79.137","0.001","476.06","0.03","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H18 Br2 O4 -","- C20 H18 Br2 O4 -","- C20 H18 Br2 O4 -","1","0.5","","Li, Yu; Song, Datong","Syntheses, structures and luminescent properties of decorated lanthanide metal-organic frameworks of (E)-4,4'-(ethene-1,2-diyl)dibenzoic acids","CrystEngComm","2011","13","6","1821","1830","10.1039/c0ce00750a","","","0.71073","MoKα","","0.0223","0.0204","","","0.0515","0.0523","","","","","","1.055","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210540","10.7778","0.0005","11.612","0.0005","18.5198","0.0009","90","","97.184","0.003","90","","2299.59","0.18","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 Br2 Cl2 O4 -","- C21 H20 Br2 Cl2 O4 -","- C84 H80 Br8 Cl8 O16 -","4","1","","Li, Yu; Song, Datong","Syntheses, structures and luminescent properties of decorated lanthanide metal-organic frameworks of (E)-4,4'-(ethene-1,2-diyl)dibenzoic acids","CrystEngComm","2011","13","6","1821","1830","10.1039/c0ce00750a","","","0.71073","MoKα","","0.1208","0.0473","","","0.0853","0.1027","","","","","","1.006","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210541","7.7087","0.0005","8.0642","0.0003","9.4794","0.0006","85.956","0.002","88.701","0.002","63.24","0.002","524.83","0.05","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H24 O4 S2 -","- C22 H24 O4 S2 -","- C22 H24 O4 S2 -","1","0.5","","Li, Yu; Song, Datong","Syntheses, structures and luminescent properties of decorated lanthanide metal-organic frameworks of (E)-4,4'-(ethene-1,2-diyl)dibenzoic acids","CrystEngComm","2011","13","6","1821","1830","10.1039/c0ce00750a","","","0.71073","MoKα","","0.0433","0.0393","","","0.1061","0.1092","","","","","","1.095","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210542","27.6859","0.0005","16.9435","0.0004","28.0346","0.0006","90","","101.603","0.001","90","","12882.2","0.5","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H57 O13 S7 Tb -","- C38 H57 O13 S7 Tb -","- C304 H456 O104 S56 Tb8 -","8","1","","Li, Yu; Song, Datong","Syntheses, structures and luminescent properties of decorated lanthanide metal-organic frameworks of (E)-4,4'-(ethene-1,2-diyl)dibenzoic acids","CrystEngComm","2011","13","6","1821","1830","10.1039/c0ce00750a","","","0.71073","MoKα","","0.079","0.0547","","","0.1528","0.1671","","","","","","1.046","","","","has coordinates,has disorder","180436","2020-10-21","18:00:00",""
"7210543","16.5736","0.0007","21.7897","0.0008","35.132","0.0014","90","","90","","90","","12687.4","0.9","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C82 H132 Eu2 O29 S17 -","- C82 H132 Eu2 O29 S17 -","- C328 H528 Eu8 O116 S68 -","4","1","","Li, Yu; Song, Datong","Syntheses, structures and luminescent properties of decorated lanthanide metal-organic frameworks of (E)-4,4'-(ethene-1,2-diyl)dibenzoic acids","CrystEngComm","2011","13","6","1821","1830","10.1039/c0ce00750a","","","0.71073","MoKα","","0.0859","0.061","","","0.1343","0.143","","","","","","1.035","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210544","8.7097","0.0003","14.0738","0.0005","16.2065","0.0006","114.085","0.002","91.028","0.002","94.463","0.002","1805.42","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H36 Eu N O8 S3 -","- C33 H32 Eu N O8 S3 -","- C66 H64 Eu2 N2 O16 S6 -","2","1","","Li, Yu; Song, Datong","Syntheses, structures and luminescent properties of decorated lanthanide metal-organic frameworks of (E)-4,4'-(ethene-1,2-diyl)dibenzoic acids","CrystEngComm","2011","13","6","1821","1830","10.1039/c0ce00750a","","","0.71073","MoKα","","0.0774","0.0589","","","0.1475","0.1621","","","","","","1.029","","","","has coordinates,has disorder","180436","2020-10-21","18:00:00",""
"7210545","8.6455","0.0012","14.142","0.002","16.283","0.003","114.24","0.009","91.363","0.009","94.361","0.01","1806.7","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H36 N O8 S3 Tb -","- C33 H32 N O8 S3 Tb -","- C66 H64 N2 O16 S6 Tb2 -","2","1","","Li, Yu; Song, Datong","Syntheses, structures and luminescent properties of decorated lanthanide metal-organic frameworks of (E)-4,4'-(ethene-1,2-diyl)dibenzoic acids","CrystEngComm","2011","13","6","1821","1830","10.1039/c0ce00750a","","","0.71073","MoKα","","0.0659","0.0523","","","0.1373","0.1448","","","","","","0.972","","","","has coordinates,has disorder","180436","2020-10-21","18:00:00",""
"7210546","23.125","0.003","10.7039","0.0007","21.391","0.005","90","","118.741","0.005","90","","4642.5","1.3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C10 H22 Cu2 I2 N8 O2 S2 -","- C10 H22 Cu2 I2 N8 O2 S2 -","- C80 H176 Cu16 I16 N64 O16 S16 -","8","1","","Li, Hao-Hong; Wang, Yun-Jie; Dong, Hai-Jun; Chen, Zhi-Rong; Wu, Yan-Ling; Wang, Min; Huang, Shu-Wei","An organic‒inorganic hybrid heterobridging luminescent copper(i) polymer exhibiting thermochromic behavior","CrystEngComm","2011","13","6","1778","","10.1039/c0ce00754d","","","0.71073","MoKα","","0.0526","0.0424","","","0.1176","0.1261","","","","","","1.117","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210547","10.852","0.005","13.748","0.007","13.879","0.007","90","","97.856","0.008","90","","2051.2","1.7","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Olanzapine-Maleic acid 1:1","","","- C21 H24 N4 O4 S -","- C21 H24 N4 O4 S -","- C84 H96 N16 O16 S4 -","4","1","","Thakuria, Ranjit; Nangia, Ashwini","Highly soluble olanzapinium maleate crystalline salts","CrystEngComm","2011","13","6","1759","","10.1039/c0ce00787k","","","0.71073","MoKα","","0.0502","0.0418","","","0.1125","0.1188","","","","","","1.068","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210548","8.518","0.003","9.804","0.004","16.21","0.006","95.956","0.007","97.945","0.007","107.789","0.007","1261.2","0.8","298","2","298","2","","","","","","","","5","P -1","-P 1","2","Olanzapine-Maleic acid 1:2","","","- C25 H28 N4 O8 S -","- C25 H28 N4 O8 S -","- C50 H56 N8 O16 S2 -","2","1","","Thakuria, Ranjit; Nangia, Ashwini","Highly soluble olanzapinium maleate crystalline salts","CrystEngComm","2011","13","6","1759","","10.1039/c0ce00787k","","","0.71073","MoKα","","0.1167","0.0864","","","0.1789","0.1987","","","","","","1.243","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210549","14.1795","0.0003","23.7646","0.0005","18.7113","0.0005","90","","90","","90","","6305.1","0.3","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C54 H52.5 K1.5 O32 Zn5 -","- C54 H48 K1.5 O32 Zn5 -","- C216 H192 K6 O128 Zn20 -","4","1","","Bo, Qi-Bing; Zhang, Zhen-Wei; Miao, Jin-Ling; Wang, Da-Qi; Sun, Guo-Xin","Novel metal‒organic frameworks (MOFs) based on heterometallic nodes and 5-methylisophthalate linkers","CrystEngComm","2011","13","6","1765","","10.1039/c0ce00811g","","","0.71073","MoKα","","0.0811","0.0557","","","0.1485","0.1674","","","","","","1.038","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210550","7.1319","0.0014","24.327","0.005","18.849","0.004","90","","90","","90","","3270.3","1.2","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C27 H27 Na2 O16.5 Zn2 -","- C27 H22 Na2 O16.5 Zn2 -","- C108 H88 Na8 O66 Zn8 -","4","0.5","","Bo, Qi-Bing; Zhang, Zhen-Wei; Miao, Jin-Ling; Wang, Da-Qi; Sun, Guo-Xin","Novel metal‒organic frameworks (MOFs) based on heterometallic nodes and 5-methylisophthalate linkers","CrystEngComm","2011","13","6","1765","","10.1039/c0ce00811g","","","0.71073","MoKα","","0.103","0.0651","","","0.1675","0.1974","","","","","","1.047","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7210551","24.2508","0.0006","12.6282","0.0003","13.2061","0.0003","90","","119.793","0.001","90","","3509.74","0.15","173","2","173","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C33 H27 Ag2 N8 O10 -","- C33 H21 Ag2 N8 O10 -","- C132 H84 Ag8 N32 O40 -","4","0.5","","Ma, Ming-Liang; Li, Xiao-Yan; Zhao, Xiao-Li; Guo, Fang; Jiang, Biao; Wen, Ke","Silver-mediated self-assembly of metallosupramolecular networks based on pyrimidine-containing oxacalix[n]aromatics","CrystEngComm","2011","13","6","1752","","10.1039/c0ce00812e","","","0.71073","MoKα","","0.0432","0.0381","","","0.0975","0.1038","","","","","","1.048","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210552","24.0171","0.0011","10.0687","0.0005","18.5808","0.0008","90","","90","","90","","4493.2","0.4","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C44 H35 Ag2 N9 O13 -","- C44 H32 Ag2 N9 O13 -","- C176 H128 Ag8 N36 O52 -","4","1","","Ma, Ming-Liang; Li, Xiao-Yan; Zhao, Xiao-Li; Guo, Fang; Jiang, Biao; Wen, Ke","Silver-mediated self-assembly of metallosupramolecular networks based on pyrimidine-containing oxacalix[n]aromatics","CrystEngComm","2011","13","6","1752","","10.1039/c0ce00812e","","","0.71073","MoKα","","0.0732","0.0466","","","0.0866","0.1009","","","","","","1.141","","","","has coordinates,has disorder","180436","2020-10-21","18:00:00",""
"7210553","7.8571","0.0016","10.889","0.002","11.869","0.002","69.57","0.03","75.68","0.03","70.86","0.03","888.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H0 Co2 N0 O0 -","- C40 H28 Co2 N8 O8 -","- C40 H28 Co2 N8 O8 -","1","0.5","","Li, Zuo-Xi; Chu, Xin; Cui, Guang-Hua; Liu, Yu; Li, Le; Xue, Gang-Lin","Benzoate acid-dependent formation of a series of interpenetrating metal‒organic frameworks based on the cobalt∩1,4-bis(imidazolyl)benzene coordination substrate","CrystEngComm","2011","13","6","1984","","10.1039/c0ce00865f","","","0.71073","MoKα","","0.0823","0.0668","","","0.1783","0.1864","","","","","","1.168","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210554","27.028","0.005","10.493","0.002","17.871","0.004","90","","120.32","0.03","90","","4375","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H34 Co3 N8 O16 -","- C42 H34 Co3 N8 O16 -","- C168 H136 Co12 N32 O64 -","4","0.5","","Li, Zuo-Xi; Chu, Xin; Cui, Guang-Hua; Liu, Yu; Li, Le; Xue, Gang-Lin","Benzoate acid-dependent formation of a series of interpenetrating metal‒organic frameworks based on the cobalt∩1,4-bis(imidazolyl)benzene coordination substrate","CrystEngComm","2011","13","6","1984","","10.1039/c0ce00865f","","","0.71073","MoKα","","0.0335","0.0298","","","0.0696","0.0711","","","","","","1.126","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210555","9.5455","0.0019","10.271","0.002","10.628","0.002","62.03","0.03","68.68","0.03","83.38","0.03","855.4","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H13 Co N4 O5 -","- C17 H13 Co N4 O5 -","- C34 H26 Co2 N8 O10 -","2","1","","Li, Zuo-Xi; Chu, Xin; Cui, Guang-Hua; Liu, Yu; Li, Le; Xue, Gang-Lin","Benzoate acid-dependent formation of a series of interpenetrating metal‒organic frameworks based on the cobalt∩1,4-bis(imidazolyl)benzene coordination substrate","CrystEngComm","2011","13","6","1984","","10.1039/c0ce00865f","","","0.71073","MoKα","","0.058","0.0436","","","0.09","0.0953","","","","","","1.075","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210556","12.7109","0.0003","9.5071","0.0003","12.7444","0.0004","90","","90","","90","","1540.08","0.08","90","2","90","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H10 Br F4 N3 -","- C15 H10 Br F4 N3 -","- C60 H40 Br4 F16 N12 -","4","1","","Saunders, Graham C.","On the importance of π‒π stacking and cation‒anion interactions in the construction of non-centrosymmetric networks of bromide salts of imidazolium cations bearing arene and polyfluoroarene rings","CrystEngComm","2011","13","6","1801","","10.1039/c1ce00003a","","","0.71073","MoKα","","0.0261","0.0214","","","0.0511","0.0528","","","","","","1.047","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210558","9.1069","0.0012","10.5452","0.0013","13.5137","0.0017","100.441","0.001","102.85","0.001","102.922","0.001","1196.3","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H12 La2 O15 S3 -","- C18 H12 La2 O15 S3 -","- C36 H24 La4 O30 S6 -","2","1","","Li, Zhao-Hao; Zhang, Tian; Xue, Li-Ping; Miao, Shao-Bin; Zhao, Bang-Tun; Kan, Jian; Su, Wei-Ping","Three-dimensional pillared layered supramolecular networks comprising polymeric layers and tetrameric {H2O}4 pillars","CrystEngComm","2013","15","37","7423","","10.1039/c3ce40645h","","","0.71073","MoKα","","0.0197","0.0179","","","0.0446","0.0459","","","","","","1.001","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210559","9.0148","0.0015","10.4259","0.0018","13.458","0.002","100.259","0.002","102.113","0.002","103.114","0.002","1170.1","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H12 O15 Pr2 S3 -","- C18 H12 O15 Pr2 S3 -","- C36 H24 O30 Pr4 S6 -","2","1","","Li, Zhao-Hao; Zhang, Tian; Xue, Li-Ping; Miao, Shao-Bin; Zhao, Bang-Tun; Kan, Jian; Su, Wei-Ping","Three-dimensional pillared layered supramolecular networks comprising polymeric layers and tetrameric {H2O}4 pillars","CrystEngComm","2013","15","37","7423","","10.1039/c3ce40645h","","","0.71073","MoKα","","0.0237","0.0216","","","0.0554","0.0568","","","","","","1.059","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210560","9.0536","0.0011","10.4806","0.0012","13.4765","0.0016","100.386","0.001","102.395","0.001","103.042","0.001","1181","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H12 Ce2 O15 S3 -","- C18 H12 Ce2 O15 S3 -","- C36 H24 Ce4 O30 S6 -","2","1","","Li, Zhao-Hao; Zhang, Tian; Xue, Li-Ping; Miao, Shao-Bin; Zhao, Bang-Tun; Kan, Jian; Su, Wei-Ping","Three-dimensional pillared layered supramolecular networks comprising polymeric layers and tetrameric {H2O}4 pillars","CrystEngComm","2013","15","37","7423","","10.1039/c3ce40645h","","","0.71073","MoKα","","0.0229","0.021","","","0.0514","0.0526","","","","","","1.052","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210561","11.042","0.0007","42.906","0.001","15.604","0.003","90","","97.004","0.001","90","","7337.5","1.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C68 H64 N12 O22 Zn3 -","- C68 H48 N12 O14 Zn3 -","- C272 H192 N48 O56 Zn12 -","4","1","","Chen, Lei; Zhang, Li; Li, Shun-Li; Qiu, Yong-Qing; Shao, Kui-Zhan; Wang, Xin-Long; Su, Zhong-Min","Self-assembly of metal‒organic frameworks based on N-donor ligand and flexible tricarboxylic acids with different angular characters","CrystEngComm","2013","15","40","8214","","10.1039/c3ce40910d","","","0.71069","MoKα","","0.1055","0.0624","","","0.1658","0.182","","","","","","0.969","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210562","16.6","0.0006","9.298","0.0006","43.166","0.003","90","","100.424","0.001","90","","6552.6","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H64 N12 O18 Zn3 -","- C68 H44 N12 O18 Zn3 -","- C272 H176 N48 O72 Zn12 -","4","0.5","","Chen, Lei; Zhang, Li; Li, Shun-Li; Qiu, Yong-Qing; Shao, Kui-Zhan; Wang, Xin-Long; Su, Zhong-Min","Self-assembly of metal‒organic frameworks based on N-donor ligand and flexible tricarboxylic acids with different angular characters","CrystEngComm","2013","15","40","8214","","10.1039/c3ce40910d","","","0.71069","MoKα","","0.1117","0.0531","","","0.1335","0.1721","","","","","","0.989","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210563","12.834","0.0012","16.313","0.0015","17.983","0.0017","73.818","0.001","82.768","0.001","67.562","0.001","3341.2","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H56 N12 O18 Zn3 -","- C68 H48 N12 O18 Zn3 -","- C136 H96 N24 O36 Zn6 -","2","1","","Chen, Lei; Zhang, Li; Li, Shun-Li; Qiu, Yong-Qing; Shao, Kui-Zhan; Wang, Xin-Long; Su, Zhong-Min","Self-assembly of metal‒organic frameworks based on N-donor ligand and flexible tricarboxylic acids with different angular characters","CrystEngComm","2013","15","40","8214","","10.1039/c3ce40910d","","","0.71069","MoKα","","0.0985","0.0525","","","0.1185","0.1396","","","","","","0.972","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210564","8.703","0.001","10.52","0.0012","11.84","0.0013","81.291","0.002","76.006","0.002","88.202","0.002","1039.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H17 N2 O8 Zn -","- C22 H17 N2 O8 Zn -","- C44 H34 N4 O16 Zn2 -","2","1","","Chen, Lei; Zhang, Li; Li, Shun-Li; Qiu, Yong-Qing; Shao, Kui-Zhan; Wang, Xin-Long; Su, Zhong-Min","Self-assembly of metal‒organic frameworks based on N-donor ligand and flexible tricarboxylic acids with different angular characters","CrystEngComm","2013","15","40","8214","","10.1039/c3ce40910d","","","0.71069","MoKα","","0.0942","0.0543","","","0.1408","0.1795","","","","","","1.012","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210565","10.068","0.004","10.373","0.004","14.022","0.006","78.26","0.006","83.303","0.006","67.218","0.006","1320.7","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 N4 O8 Zn2 -","- C28 H20 N4 O8 Zn2 -","- C56 H40 N8 O16 Zn4 -","2","1","","Chen, Lei; Zhang, Li; Li, Shun-Li; Qiu, Yong-Qing; Shao, Kui-Zhan; Wang, Xin-Long; Su, Zhong-Min","Self-assembly of metal‒organic frameworks based on N-donor ligand and flexible tricarboxylic acids with different angular characters","CrystEngComm","2013","15","40","8214","","10.1039/c3ce40910d","","","0.71069","MoKα","","0.1055","0.0671","","","0.1746","0.2118","","","","","","1.033","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210566","8.029","0.0002","9.8549","0.0003","14.3776","0.0004","90","","90","","90","","1137.63","0.05","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Ag N3 P S -","- C6 H12 Ag N3 P S -","- C24 H48 Ag4 N12 P4 S4 -","4","1","","Jaros, Sabina W.; Smoleński, Piotr; Guedes da Silva, M. Fátima C.; Florek, Magdalena; Król, Jarosław; Staroniewicz, Zdzisław; Pombeiro, Armando J. L.; Kirillov, Alexander M.","New silver BioMOFs driven by 1,3,5-triaza-7-phosphaadamantane-7-sulfide (PTAS): synthesis, topological analysis and antimicrobial activity","CrystEngComm","2013","15","40","8060","","10.1039/c3ce40913a","","","0.71069","MoKα","","0.0294","0.0258","","","0.0548","0.0559","","","","","","1.012","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210567","9.5475","0.0003","11.44","0.0003","13.2092","0.0004","90","","109.974","0.001","90","","1355.97","0.07","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C12 H32 Ag4 N6 O12 P2 S4 -","- C12 H32 Ag4 N6 O12 P2 S4 -","- C24 H64 Ag8 N12 O24 P4 S8 -","2","1","","Jaros, Sabina W.; Smoleński, Piotr; Guedes da Silva, M. Fátima C.; Florek, Magdalena; Król, Jarosław; Staroniewicz, Zdzisław; Pombeiro, Armando J. L.; Kirillov, Alexander M.","New silver BioMOFs driven by 1,3,5-triaza-7-phosphaadamantane-7-sulfide (PTAS): synthesis, topological analysis and antimicrobial activity","CrystEngComm","2013","15","40","8060","","10.1039/c3ce40913a","","","0.71069","MoKα","","0.0161","0.016","","","0.0401","0.0402","","","","","","1.034","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210568","7.003","0.003","9.8","0.004","10.744","0.004","63.29","0.004","87.998","0.005","70.983","0.004","617.3","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H22 F6 N12 O3 Si Zn -","- C20 H22 F6 N12 O3 Si Zn -","- C20 H22 F6 N12 O3 Si Zn -","1","0.5","","Yang, Pan; Wu, Xiang Xia; Huo, Jian Zhong; Ding, Bin; Wang, Ying; Wang, XiuGuang","Hydrothermal synthesis and characterization of a series of luminescent Zn(ii) and Cd(ii) coordination polymers with the new versatile multidentate ligand 1,3-di-(1,2,4-triazol-4-yl)benzene","CrystEngComm","2013","15","40","8097","","10.1039/c3ce40946e","","","0.71073","MoKα","","0.0848","0.0553","","","0.1223","0.1496","","","","","","1.053","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210569","7.555","0.0005","9.5468","0.0006","10.3006","0.0006","113.679","0.001","91.987","0.001","104.327","0.001","651.67","0.07","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H24 Cd F6 N12 O4 Si -","- C20 H22 Cd F6 N12 O4 Si -","- C20 H22 Cd F6 N12 O4 Si -","1","0.5","","Yang, Pan; Wu, Xiang Xia; Huo, Jian Zhong; Ding, Bin; Wang, Ying; Wang, XiuGuang","Hydrothermal synthesis and characterization of a series of luminescent Zn(ii) and Cd(ii) coordination polymers with the new versatile multidentate ligand 1,3-di-(1,2,4-triazol-4-yl)benzene","CrystEngComm","2013","15","40","8097","","10.1039/c3ce40946e","","","0.71073","MoKα","","0.0398","0.0365","","","0.0788","0.0815","","","","","","1.08","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210570","10.135","0.003","13.562","0.004","20.655","0.006","90","","90","","90","","2839","1.4","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H10 Br2 N6 O Zn -","- C10 H10 Br2 N6 O Zn -","- C80 H80 Br16 N48 O8 Zn8 -","8","1","","Yang, Pan; Wu, Xiang Xia; Huo, Jian Zhong; Ding, Bin; Wang, Ying; Wang, XiuGuang","Hydrothermal synthesis and characterization of a series of luminescent Zn(ii) and Cd(ii) coordination polymers with the new versatile multidentate ligand 1,3-di-(1,2,4-triazol-4-yl)benzene","CrystEngComm","2013","15","40","8097","","10.1039/c3ce40946e","","","0.71073","MoKα","","0.1206","0.0717","","","0.1684","0.1937","","","","","","1.067","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210571","8.905","0.003","11.572","0.004","14.981","0.004","90","","120.87","0.014","90","","1325.1","0.8","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 Cd N14 O2 S2 -","- C22 H20 Cd N14 O2 S2 -","- C44 H40 Cd2 N28 O4 S4 -","2","0.5","","Yang, Pan; Wu, Xiang Xia; Huo, Jian Zhong; Ding, Bin; Wang, Ying; Wang, XiuGuang","Hydrothermal synthesis and characterization of a series of luminescent Zn(ii) and Cd(ii) coordination polymers with the new versatile multidentate ligand 1,3-di-(1,2,4-triazol-4-yl)benzene","CrystEngComm","2013","15","40","8097","","10.1039/c3ce40946e","","","0.71073","MoKα","","0.0747","0.0493","","","0.1081","0.1212","","","","","","1.063","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210572","14.287","0.011","22.046","0.016","8.268","0.006","90","","98.563","0.01","90","","2575","3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 B2 Cd F8 N12 -","- C20 H16 B2 Cd F8 N12 -","- C80 H64 B8 Cd4 F32 N48 -","4","1","","Yang, Pan; Wu, Xiang Xia; Huo, Jian Zhong; Ding, Bin; Wang, Ying; Wang, XiuGuang","Hydrothermal synthesis and characterization of a series of luminescent Zn(ii) and Cd(ii) coordination polymers with the new versatile multidentate ligand 1,3-di-(1,2,4-triazol-4-yl)benzene","CrystEngComm","2013","15","40","8097","","10.1039/c3ce40946e","","","0.71073","MoKα","","0.1698","0.091","","","0.2301","0.2697","","","","","","1.061","","","","has coordinates,has disorder","180436","2020-10-21","18:00:00",""
"7210573","14.327","0.003","22.105","0.005","8.3039","0.0019","90","","98.79","0.003","90","","2598.9","1","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Cd Cl2 N12 O8 -","- C20 H16 Cd Cl2 N12 O8 -","- C80 H64 Cd4 Cl8 N48 O32 -","4","1","","Yang, Pan; Wu, Xiang Xia; Huo, Jian Zhong; Ding, Bin; Wang, Ying; Wang, XiuGuang","Hydrothermal synthesis and characterization of a series of luminescent Zn(ii) and Cd(ii) coordination polymers with the new versatile multidentate ligand 1,3-di-(1,2,4-triazol-4-yl)benzene","CrystEngComm","2013","15","40","8097","","10.1039/c3ce40946e","","","0.71073","MoKα","","0.1165","0.0573","","","0.1195","0.1446","","","","","","1.011","","","","has coordinates,has disorder","180436","2020-10-21","18:00:00",""
"7210574","20.5262","0.0016","20.5262","0.0016","20.152","0.003","90","","90","","120","","7353","1.4","173","2","173","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- C60 H48 Cd3 N36 -","- C60 H48 Cd3 N36 -","- C180 H144 Cd9 N108 -","3","0.0833333","","Yang, Pan; Wu, Xiang Xia; Huo, Jian Zhong; Ding, Bin; Wang, Ying; Wang, XiuGuang","Hydrothermal synthesis and characterization of a series of luminescent Zn(ii) and Cd(ii) coordination polymers with the new versatile multidentate ligand 1,3-di-(1,2,4-triazol-4-yl)benzene","CrystEngComm","2013","15","40","8097","","10.1039/c3ce40946e","","","0.71073","MoKα","","0.049","0.0428","","","0.1254","0.1285","","","","","","1.082","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210575","7.2608","0.0015","11.973","0.002","9.6567","0.0019","90","","98.88","0.03","90","","829.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 Cl N O2 -","- C9 H6 Cl N O2 -","- C36 H24 Cl4 N4 O8 -","4","1","","Luo, Yang-Hui; Sun, Bai-Wang","An investigation into the substituent effect of halogen atoms on the crystal structures of indole-3-carboxylic acid (ICA)","CrystEngComm","2013","15","37","7490","","10.1039/c3ce40952j","","","0.71073","MoKα","","0.1783","0.1691","","","0.3918","0.3962","","","","","","1.187","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210576","12.025","0.005","19.464","0.008","15.323","0.005","90","","126.97","0.02","90","","2865","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H52 Mo8 N16 O26 -","- C32 H52 Mo8 N16 O26 -","- C64 H104 Mo16 N32 O52 -","2","0.5","","Chen, Baokuan; Lin, Zhengguo; Wang, Bo; Feng, Xiao; Fan, Linyuan; Yang, Song; Huang, Xianqiang; Hu, Changwen","A new synthetic approach to functionalize oxomolybdenum complexes","CrystEngComm","2013","15","37","7410","","10.1039/c3ce40994e","","","0.71073","MoKα","","0.025","0.0223","","","0.0557","0.0568","","","","","","1.06","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210577","17.379","0.003","10.932","0.002","24.384","0.004","90","","134.332","0.008","90","","3313.7","1.1","","","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H64 Mo8 N20 O26 -","- C40 H64 Mo8 N20 O26 -","- C80 H128 Mo16 N40 O52 -","2","0.5","","Chen, Baokuan; Lin, Zhengguo; Wang, Bo; Feng, Xiao; Fan, Linyuan; Yang, Song; Huang, Xianqiang; Hu, Changwen","A new synthetic approach to functionalize oxomolybdenum complexes","CrystEngComm","2013","15","37","7410","","10.1039/c3ce40994e","","","0.71073","MoKα","","0.1302","0.1255","","","","0.3351","","","","","","1.183","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210578","11.3366","0.0013","11.3529","0.0013","11.3639","0.0014","72.391","0.002","71.058","0.002","80.06","0.002","1314","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H52 Mo8 N12 O26 -","- C30 H52 Mo8 N12 O26 -","- C30 H52 Mo8 N12 O26 -","1","0.5","","Chen, Baokuan; Lin, Zhengguo; Wang, Bo; Feng, Xiao; Fan, Linyuan; Yang, Song; Huang, Xianqiang; Hu, Changwen","A new synthetic approach to functionalize oxomolybdenum complexes","CrystEngComm","2013","15","37","7410","","10.1039/c3ce40994e","","","0.71073","MoKα","","0.0276","0.0234","","","0.0576","0.0604","","","","","","1.027","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210579","12.1992","0.0004","23.5887","0.0006","11.8092","0.0004","90","","109.758","0.003","90","","3198.19","0.18","293","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H68 Mo8 N16 O26 -","- C40 H52 Mo8 N16 O26 -","- C80 H104 Mo16 N32 O52 -","2","0.5","","Chen, Baokuan; Lin, Zhengguo; Wang, Bo; Feng, Xiao; Fan, Linyuan; Yang, Song; Huang, Xianqiang; Hu, Changwen","A new synthetic approach to functionalize oxomolybdenum complexes","CrystEngComm","2013","15","37","7410","","10.1039/c3ce40994e","","","0.71073","MoKα","","0.053","0.0402","","","0.1025","0.1104","","","","","","1.015","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210580","10.1921","0.0004","21.5036","0.0009","15.3277","0.0005","90","","120.334","0.002","90","","2899.4","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H64 Mo8 N12 O26 -","- C36 H60 Mo8 N12 O26 -","- C72 H120 Mo16 N24 O52 -","2","0.5","","Chen, Baokuan; Lin, Zhengguo; Wang, Bo; Feng, Xiao; Fan, Linyuan; Yang, Song; Huang, Xianqiang; Hu, Changwen","A new synthetic approach to functionalize oxomolybdenum complexes","CrystEngComm","2013","15","37","7410","","10.1039/c3ce40994e","","","0.71073","MoKα","","0.027","0.0219","","","0.0728","0.1049","","","","","","1.232","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210581","12.5903","0.0018","11.8542","0.0016","24.806","0.003","90","","100.449","0.002","90","","3640.8","0.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H88 Mo8 N16 O28 -","- C48 H60 Mo8 N16 O28 -","- C96 H120 Mo16 N32 O56 -","2","0.5","","Chen, Baokuan; Lin, Zhengguo; Wang, Bo; Feng, Xiao; Fan, Linyuan; Yang, Song; Huang, Xianqiang; Hu, Changwen","A new synthetic approach to functionalize oxomolybdenum complexes","CrystEngComm","2013","15","37","7410","","10.1039/c3ce40994e","","","0.71073","MoKα","","0.15","0.085","","","0.2152","0.268","","","","","","1.015","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7210582","15.878","0.003","10.1503","0.0019","16.704","0.003","90","","115.779","0.003","90","","2424.2","0.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H96 Mo9 N32 O32 S3 -","- C64 H96 Mo8.996 N32 O32 S3.004 -","- C64 H96 Mo8.996 N32 O32 S3.004 -","1","0.25","","Chen, Baokuan; Lin, Zhengguo; Wang, Bo; Feng, Xiao; Fan, Linyuan; Yang, Song; Huang, Xianqiang; Hu, Changwen","A new synthetic approach to functionalize oxomolybdenum complexes","CrystEngComm","2013","15","37","7410","","10.1039/c3ce40994e","","","0.71073","MoKα","","0.115","0.0734","","","0.1772","0.2803","","","","","","1.231","","","","has coordinates,has disorder","287939","2023-12-01","16:52:17",""
"7210583","11.6102","0.0009","11.6102","0.0009","19.4306","0.0014","90","","90","","120","","2268.3","0.3","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C12 H18 Mo N6 O3 -","- C12 H18 Mo N6 O3 -","- C72 H108 Mo6 N36 O18 -","6","0.333333","","Chen, Baokuan; Lin, Zhengguo; Wang, Bo; Feng, Xiao; Fan, Linyuan; Yang, Song; Huang, Xianqiang; Hu, Changwen","A new synthetic approach to functionalize oxomolybdenum complexes","CrystEngComm","2013","15","37","7410","","10.1039/c3ce40994e","","","0.71073","MoKα","","0.0442","0.038","","","0.0663","0.0706","","","","","","1.119","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210584","9.6874","0.0007","18.8238","0.0014","10.3652","0.0006","90","","102.994","0.007","90","","1841.7","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H36 Mo3 N12 O9 -","- C30 H36 Mo3 N12 O9 -","- C60 H72 Mo6 N24 O18 -","2","1","","Chen, Baokuan; Lin, Zhengguo; Wang, Bo; Feng, Xiao; Fan, Linyuan; Yang, Song; Huang, Xianqiang; Hu, Changwen","A new synthetic approach to functionalize oxomolybdenum complexes","CrystEngComm","2013","15","37","7410","","10.1039/c3ce40994e","","","0.71073","MoKα","","0.0973","0.0599","","","0.078","0.0867","","","","","","1","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210585","11.3955","0.0004","12.1907","0.0005","12.5537","0.0005","65.085","0.004","74.281","0.003","75.437","0.003","1503.55","0.11","293","2","293","2","","","","","","","","8","P 1","P 1","1","","","","- C8 H67 Cu2 N8 O56 Si Tb W11 -","- C8 H32 Cu2 N8 O56 Si Tb W11 -","- C8 H32 Cu2 N8 O56 Si Tb W11 -","1","1","","Zhao, Hai-Yan; Zhao, Jun-Wei; Yang, Bai-Feng; He, Huan; Yang, Guo-Yu","Organic‒inorganic hybrids based on monovacant Keggin-type polyoxotungstates and 3d‒4f heterometals","CrystEngComm","2013","15","40","8186","","10.1039/c3ce41007b","","","0.71073","MoKα","","0.0733","0.0702","","","0.186","0.1881","","","","","","1.03","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210586","11.4202","0.0005","12.2341","0.0006","12.6593","0.0007","64.764","0.005","73.918","0.004","75.541","0.004","1519.57","0.15","293","2","293","2","","","","","","","","8","P 1","P 1","1","","","","- C8 H51 Cu2 Eu Ge N8 O48 W11 -","- C8 H32 Cu2 Eu Ge N8 O48 W11 -","- C8 H32 Cu2 Eu Ge N8 O48 W11 -","1","1","","Zhao, Hai-Yan; Zhao, Jun-Wei; Yang, Bai-Feng; He, Huan; Yang, Guo-Yu","Organic‒inorganic hybrids based on monovacant Keggin-type polyoxotungstates and 3d‒4f heterometals","CrystEngComm","2013","15","40","8186","","10.1039/c3ce41007b","","","0.71073","MoKα","","0.067","0.0607","","","0.158","0.1634","","","","","","1.089","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210587","46.988","0.003","12.2367","0.0003","23.1895","0.0006","90","","104.813","0.004","90","","12890.3","1","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C14 H72 Cu3 Ge N12 O51.5 Tb W11 -","- C14 H51 Cu3 Ge N12 O51.5 Tb W11 -","- C112 H408 Cu24 Ge8 N96 O412 Tb8 W88 -","8","1","","Zhao, Hai-Yan; Zhao, Jun-Wei; Yang, Bai-Feng; He, Huan; Yang, Guo-Yu","Organic‒inorganic hybrids based on monovacant Keggin-type polyoxotungstates and 3d‒4f heterometals","CrystEngComm","2013","15","40","8186","","10.1039/c3ce41007b","","","0.71073","MoKα","","0.0986","0.0717","","","0.1811","0.2014","","","","","","1.035","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210588","41.5173","0.0015","12.1282","0.0004","23.1543","0.001","90","","90.93","0.004","90","","11657.4","0.8","293","2","293","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C20 H102 Cu4 N16 Na2 O98 P2 Sm2 W22 -","- C20 H66 Cu4 N16 Na2 O98 P2 Sm2 W22 -","- C80 H264 Cu16 N64 Na8 O392 P8 Sm8 W88 -","4","0.5","","Zhao, Hai-Yan; Zhao, Jun-Wei; Yang, Bai-Feng; He, Huan; Yang, Guo-Yu","Organic‒inorganic hybrids based on monovacant Keggin-type polyoxotungstates and 3d‒4f heterometals","CrystEngComm","2013","15","40","8186","","10.1039/c3ce41007b","","","0.71073","MoKα","","0.0928","0.0763","","","0.1945","0.2077","","","","","","1.023","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210589","5.1601","0.0002","7.6565","0.0003","9.1728","0.0003","74.888","0.003","84.185","0.003","71.767","0.002","332.23","0.02","296","","296","","","","","","","","see text","5","P -1","-P 1","2","","","","- C12 H14 Cu N4 O4 -","- C12 H14 Cu N4 O4 -","- C12 H14 Cu N4 O4 -","1","0.5","","Đaković, Marijana; Vila-Viçosa, Diogo; Bandeira, Nuno A. G.; Calhorda, Maria José; Kozlevčar, Bojan; Jagličić, Zvonko; Popović, Zora","Can self-assembly of copper(ii) picolinamide building blocks be controlled?","CrystEngComm","2013","15","40","8074","","10.1039/c3ce41011k","","x-ray","0.71073","MoKα","","0.0355","0.032","","","0.0968","0.1003","","","","","","1.053","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210590","24.077","0.0005","6.552","0.0001","19.6808","0.0005","90","","102.133","0.002","90","","3035.34","0.11","296","","296","","","","","","","","see text","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H22 Cl2 Cu2 N8 O12 -","- C24 H22 Cl2 Cu2 N8 O12 -","- C96 H88 Cl8 Cu8 N32 O48 -","4","0.5","","Đaković, Marijana; Vila-Viçosa, Diogo; Bandeira, Nuno A. G.; Calhorda, Maria José; Kozlevčar, Bojan; Jagličić, Zvonko; Popović, Zora","Can self-assembly of copper(ii) picolinamide building blocks be controlled?","CrystEngComm","2013","15","40","8074","","10.1039/c3ce41011k","","x-ray","0.71073","MoKα","","0.0397","0.0288","","","0.0742","0.0764","","","","","","0.944","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210591","14.789","0.002","14.789","0.002","17.044","0.003","90","","90","","90","","3727.8","1","153","2","153","2","","","","","","","","5","P -4","P -4","81","complex1","","","- C65 H67 N11 O22 Zn4 -","- C65 H67 N11 O22 Zn4 -","- C130 H134 N22 O44 Zn8 -","2","0.5","","Tang, Bei-bei; Ma, Heng; Li, Guan-zheng; Wang, Yue-bing; Anwar, Gulinazi; Shi, Rufei; Li, Hui","Synthesis, crystal structures and luminescent properties of tetranuclear Zn molecular clusters with aroylhydrazone ligand","CrystEngComm","2013","15","40","8069","","10.1039/c3ce41034j","","","0.71073","MoKα","","0.0848","0.0641","","","0.1685","0.1828","","","","","","1.089","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7210592","10.508","0.002","10.684","0.002","12.276","0.003","112.1","0.03","104.75","0.03","90.29","0.03","1227","0.6","153","2","153","2","","","","","","","","5","P -1","-P 1","2","complex2","","","- C44 H54 N6 O20 Zn4 -","- C44 H54 N6 O20 Zn4 -","- C44 H54 N6 O20 Zn4 -","1","0.5","","Tang, Bei-bei; Ma, Heng; Li, Guan-zheng; Wang, Yue-bing; Anwar, Gulinazi; Shi, Rufei; Li, Hui","Synthesis, crystal structures and luminescent properties of tetranuclear Zn molecular clusters with aroylhydrazone ligand","CrystEngComm","2013","15","40","8069","","10.1039/c3ce41034j","","","0.71073","MoKα","","0.0351","0.0263","","","0.063","0.0657","","","","","","0.981","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210593","10.6882","0.0015","10.6882","0.0015","16.036","0.003","90","","90","","90","","1831.9","0.5","293","2","293","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C16 H10 Cd F2 N10 O2 -","- C16 H10 Cd F2 N10 O2 -","- C64 H40 Cd4 F8 N40 O8 -","4","0.5","","Liao, Jian-Zhen; Chen, Da-Chi; Li, Fang; Chen, Yong; Zhuang, Nai-Feng; Lin, Mei-Jin; Huang, Chang-Cang","From achiral tetrazolate-based tectons to chiral coordination networks: effects of substituents on the structures and NLO properties","CrystEngComm","2013","15","40","8180","","10.1039/c3ce41037d","","","0.71073","MoKα","","0.0229","0.0228","","","0.0488","0.0489","","","","","","1.132","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210594","18.118","0.003","18.118","0.003","17.507","0.003","90","","90","","120","","4976.9","1.4","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C48 H30 Cd3 N36 O18 -","- C48 H30 Cd3 N36 O18 -","- C144 H90 Cd9 N108 O54 -","3","0.166667","","Liao, Jian-Zhen; Chen, Da-Chi; Li, Fang; Chen, Yong; Zhuang, Nai-Feng; Lin, Mei-Jin; Huang, Chang-Cang","From achiral tetrazolate-based tectons to chiral coordination networks: effects of substituents on the structures and NLO properties","CrystEngComm","2013","15","40","8180","","10.1039/c3ce41037d","","","0.71073","MoKα","","0.0446","0.0435","","","0.0765","0.0769","","","","","","1.304","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210595","10.877","0.002","10.898","0.002","14.101","0.003","90","","90","","90","","1671.5","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H8 Cd N10 O2 S2 -","- C12 H8 Cd N10 O2 S2 -","- C48 H32 Cd4 N40 O8 S8 -","4","1","","Liao, Jian-Zhen; Chen, Da-Chi; Li, Fang; Chen, Yong; Zhuang, Nai-Feng; Lin, Mei-Jin; Huang, Chang-Cang","From achiral tetrazolate-based tectons to chiral coordination networks: effects of substituents on the structures and NLO properties","CrystEngComm","2013","15","40","8180","","10.1039/c3ce41037d","","","0.71073","MoKα","","0.021","0.0209","","","0.0541","0.0542","","","","","","1.097","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210596","10.5749","0.0015","10.5749","0.0015","16.256","0.003","90","","90","","90","","1817.9","0.5","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C14 H10 Cd N12 O2 -","- C14.04 H10 Cd N12.008 O2 -","- C56.16 H40 Cd4 N48.032 O8 -","4","0.5","","Liao, Jian-Zhen; Chen, Da-Chi; Li, Fang; Chen, Yong; Zhuang, Nai-Feng; Lin, Mei-Jin; Huang, Chang-Cang","From achiral tetrazolate-based tectons to chiral coordination networks: effects of substituents on the structures and NLO properties","CrystEngComm","2013","15","40","8180","","10.1039/c3ce41037d","","","0.71073","MoKα","","0.0581","0.0479","","","0.1112","0.1159","","","","","","1.066","","","","has coordinates,has disorder","180436","2020-10-21","18:00:00",""
"7210597","12.6283","0.0013","14.9622","0.0017","18.9869","0.0016","90","","123.236","0.005","90","","3000.7","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 Mn2 N2 O11 -","- C32 H30 Mn2 N2 O11 -","- C128 H120 Mn8 N8 O44 -","4","1","","Zhou, Xiang; Liu, Ping; Huang, Wen-Huan; Kang, Meng; Wang, Yao-Yu; Shi, Qi-Zhen","Solvents influence on sizes of channels in three fry topological Mn(ii)-MOFs based on metal‒carboxylate chains: syntheses, structures and magnetic properties","CrystEngComm","2013","15","40","8125","","10.1039/c3ce41120f","","","0.71073","MoKα","","0.1039","0.0608","","","0.1682","0.2031","","","","","","1.083","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210598","12.646","0.003","14.834","0.004","18.979","0.003","90","","123.145","0.011","90","","2981","1.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 Mn2 N2 O11 -","- C30 H30 Mn2 N2 O11 -","- C120 H120 Mn8 N8 O44 -","4","1","","Zhou, Xiang; Liu, Ping; Huang, Wen-Huan; Kang, Meng; Wang, Yao-Yu; Shi, Qi-Zhen","Solvents influence on sizes of channels in three fry topological Mn(ii)-MOFs based on metal‒carboxylate chains: syntheses, structures and magnetic properties","CrystEngComm","2013","15","40","8125","","10.1039/c3ce41120f","","","0.71073","MoKα","","0.0893","0.0568","","","0.1839","0.2621","","","","","","1.045","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210599","12.463","0.002","7.4574","0.0013","29.451","0.006","90","","96.324","0.003","90","","2720.6","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 Mn2 N2 O10 -","- C28 H24 Mn2 N2 O10 -","- C112 H96 Mn8 N8 O40 -","4","1","","Zhou, Xiang; Liu, Ping; Huang, Wen-Huan; Kang, Meng; Wang, Yao-Yu; Shi, Qi-Zhen","Solvents influence on sizes of channels in three fry topological Mn(ii)-MOFs based on metal‒carboxylate chains: syntheses, structures and magnetic properties","CrystEngComm","2013","15","40","8125","","10.1039/c3ce41120f","","","0.71073","MoKα","","0.0825","0.0449","","","0.1221","0.1705","","","","","","1.017","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210600","10.122","0.002","11.522","0.003","12.223","0.003","67.343","0.004","88.969","0.005","71.665","0.004","1240","0.5","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H56 N12 O20 Zn2 -","- C38 H46.4 N12 O20 Zn2 -","- C38 H46.4 N12 O20 Zn2 -","1","0.5","","Luo, Yu-Hui; Yue, Feng-Xia; Yu, Xiao-Yang; Gu, Ling-Ling; Zhang, Hong; Chen, Xin","A series of entangled ZnII/CdII coordination polymers constructed from 1,3,5-benzenetricarboxylate acid and flexible triazole ligands","CrystEngComm","2013","15","40","8116","","10.1039/c3ce41157e","","","0.71073","MoKα","","0.1178","0.0838","","","0.1985","0.2129","","","","","","1.093","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7210601","10.1946","0.0017","17.174","0.003","22.85","0.004","90","","90.227","0.004","90","","4000.6","1.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H34 N12 O16 Zn3 -","- C32 H24 N12 O16 Zn3 -","- C128 H96 N48 O64 Zn12 -","4","0.5","","Luo, Yu-Hui; Yue, Feng-Xia; Yu, Xiao-Yang; Gu, Ling-Ling; Zhang, Hong; Chen, Xin","A series of entangled ZnII/CdII coordination polymers constructed from 1,3,5-benzenetricarboxylate acid and flexible triazole ligands","CrystEngComm","2013","15","40","8116","","10.1039/c3ce41157e","","","0.71073","MoKα","","0.0693","0.0564","","","0.1343","0.1411","","","","","","1.016","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7210602","10.168","0.003","10.872","0.003","12.335","0.003","96.229","0.004","111.668","0.004","107.805","0.004","1168.2","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H24 Cd N6 O8 -","- C19 H20 Cd N6 O8 -","- C38 H40 Cd2 N12 O16 -","2","1","","Luo, Yu-Hui; Yue, Feng-Xia; Yu, Xiao-Yang; Gu, Ling-Ling; Zhang, Hong; Chen, Xin","A series of entangled ZnII/CdII coordination polymers constructed from 1,3,5-benzenetricarboxylate acid and flexible triazole ligands","CrystEngComm","2013","15","40","8116","","10.1039/c3ce41157e","","","0.71073","MoKα","","0.047","0.0406","","","0.0972","0.1017","","","","","","1.05","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7210603","9.5581","0.0004","10.3024","0.0005","11.8449","0.0005","83.516","0.004","70.759","0.004","69.978","0.004","1034.67","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 N6 O6 Zn -","- C21 H16 N6 O6 Zn -","- C42 H32 N12 O12 Zn2 -","2","1","","Luo, Yu-Hui; Yue, Feng-Xia; Yu, Xiao-Yang; Gu, Ling-Ling; Zhang, Hong; Chen, Xin","A series of entangled ZnII/CdII coordination polymers constructed from 1,3,5-benzenetricarboxylate acid and flexible triazole ligands","CrystEngComm","2013","15","40","8116","","10.1039/c3ce41157e","","","0.71073","MoKα","","0.0362","0.031","","","0.071","0.0733","","","","","","1.052","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210604","9.341","0.0004","12.5779","0.0006","14.0193","0.0005","103.842","0.004","105.081","0.003","99.784","0.004","1496.11","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H46 Cd N12 O24 -","- C60 H46 Cd N12 O24 -","- C60 H46 Cd N12 O24 -","1","0.5","","Luo, Yu-Hui; Yue, Feng-Xia; Yu, Xiao-Yang; Gu, Ling-Ling; Zhang, Hong; Chen, Xin","A series of entangled ZnII/CdII coordination polymers constructed from 1,3,5-benzenetricarboxylate acid and flexible triazole ligands","CrystEngComm","2013","15","40","8116","","10.1039/c3ce41157e","","","0.71073","MoKα","","0.0345","0.0295","","","0.0658","0.0687","","","","","","1.049","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7210605","11.364","0.005","6.636","0.003","12.345","0.005","90","","106.424","0.004","90","","893","0.7","123","","123","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H20 F3 N O3 -","- C18 H20 F3 N O3 -","- C36 H40 F6 N2 O6 -","2","1","","Ichikawa, Akio; Ono, Hiroshi; Mikata, Yuji","Crystal structures of Mosher's salt and ester elucidated by X-ray crystallography","CrystEngComm","2013","15","40","8088","","10.1039/c3ce41160e","","","0.7107","MoKα","","","0.0371","","","","0.0896","","","","","","1.105","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210606","50.5752","0.0014","50.5752","0.0014","12.5528","0.0002","90","","90","","120","","27806.5","1.2","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C47 H78 Cl N25 O27 -","- C47 H52.39 Cl N25 O26.9893 -","- C846 H943.02 Cl18 N450 O485.808 -","18","1","","Danylyuk, Oksana; Fedin, Vladimir P.; Sashuk, Volodymyr","Host‒guest complexes of cucurbit[6]uril with isoprenaline: the effect of the metal ion on the crystallization pathway and supramolecular architecture","CrystEngComm","2013","15","37","7414","","10.1039/c3ce41236a","","","1.54184","CuKα","","0.0836","0.0722","","","0.196","0.2047","","","","","","1.039","","","","has coordinates,has disorder","180437","2020-10-21","18:00:00",""
"7210607","18.1241","0.0003","16.4081","0.0002","21.0869","0.0003","90","","98.917","0.001","90","","6195.08","0.16","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H78 Cl2 Mg0.5 N25 O27 -","- C47 H54 Cl2 Mg0.5 N25 O26.732 -","- C188 H216 Cl8 Mg2 N100 O106.928 -","4","1","","Danylyuk, Oksana; Fedin, Vladimir P.; Sashuk, Volodymyr","Host‒guest complexes of cucurbit[6]uril with isoprenaline: the effect of the metal ion on the crystallization pathway and supramolecular architecture","CrystEngComm","2013","15","37","7414","","10.1039/c3ce41236a","","","1.54184","CuKα","","0.0743","0.0676","","","0.1934","0.201","","","","","","1.045","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7210608","22.1854","0.0002","15.9734","0.0002","22.9981","0.0003","90","","105.02","0.0011","90","","7871.53","0.16","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C94 H214 Ca2 Cl4 N50 O83 -","- C94 H108 Ca2 Cl4 N50 O83.038 -","- C188 H216 Ca4 Cl8 N100 O166.076 -","2","0.5","","Danylyuk, Oksana; Fedin, Vladimir P.; Sashuk, Volodymyr","Host‒guest complexes of cucurbit[6]uril with isoprenaline: the effect of the metal ion on the crystallization pathway and supramolecular architecture","CrystEngComm","2013","15","37","7414","","10.1039/c3ce41236a","","","1.54184","CuKα","","0.0934","0.0859","","","0.2439","0.2505","","","","","","1.012","","","","has coordinates,has disorder","180437","2020-10-21","18:00:00",""
"7210609","12.8817","0.0008","14.0348","0.0008","14.256","0.0008","63.351","0.001","71.012","0.001","76.078","0.001","2164.5","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H32 Al F6 I3 N3 O7 -","- C39 H32 Al F6 I3 N3 O7 -","- C78 H64 Al2 F12 I6 N6 O14 -","2","1","","Merkens, Carina; Pan, Fangfang; Englert, Ulli","3-(4-Pyridyl)-2,4-pentanedione ‒ a bridge between coordinative, halogen, and hydrogen bonds","CrystEngComm","2013","15","40","8153","","10.1039/c3ce41306c","","","0.71073","MoKα","","0.042","0.036","","","","0.073","","","","","","0.905","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210610","7.142","0.006","7.388","0.006","14.672","0.013","81.132","0.015","78.539","0.015","62.6","0.012","671.9","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","HacacPy-TFDIB","","","- C13 H11 F2 I N O2 -","- C13 H11 F2 I N O2 -","- C26 H22 F4 I2 N2 O4 -","2","1","","Merkens, Carina; Pan, Fangfang; Englert, Ulli","3-(4-Pyridyl)-2,4-pentanedione – a bridge between coordinative, halogen, and hydrogen bonds","CrystEngComm","2013","15","40","8153","","10.1039/c3ce41306c","","","0.71073","MoKα","","0.0811","0.055","","","0.1243","0.135","","","","","","0.955","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7210611","7.633","0.0004","16.4167","0.0008","18.6385","0.0009","113.341","0.0006","98.4034","0.0007","95.2702","0.0007","2092.38","0.18","100","2","100","2","","","","","","","","8","P -1","-P 1","2","Fe(acacPy)3 - TFDIB","","","- C37 H31 Cl3 F4 Fe I2 N3 O6 -","- C37 H31 Cl3 F4 Fe I2 N3 O6 -","- C74 H62 Cl6 F8 Fe2 I4 N6 O12 -","2","1","","Merkens, Carina; Pan, Fangfang; Englert, Ulli","3-(4-Pyridyl)-2,4-pentanedione – a bridge between coordinative, halogen, and hydrogen bonds","CrystEngComm","2013","15","40","8153","","10.1039/c3ce41306c","","","0.71073","MoKα","","0.0431","0.0336","","","0.0799","0.0856","","","","","","1.046","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7210612","12.8817","0.0008","14.0348","0.0008","14.256","0.0008","63.3512","0.0008","71.0117","0.0008","76.0783","0.0008","2164.5","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H32 Al F6 I3 N3 O7 -","- C39 H32 Al F6 I3 N3 O7 -","- C78 H64 Al2 F12 I6 N6 O14 -","2","1","","Merkens, Carina; Pan, Fangfang; Englert, Ulli","3-(4-Pyridyl)-2,4-pentanedione ‒ a bridge between coordinative, halogen, and hydrogen bonds","CrystEngComm","2013","15","40","8153","","10.1039/c3ce41306c","","","0.71073","MoKα","","0.0978","0.0542","","","0.1022","0.1175","","","","","","1.026","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210613","5.8451","0.0003","7.7034","0.0004","34.6478","0.0016","90","","91.116","0.002","90","","1559.8","0.13","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 N3 O2 S -","- C17 H16 N3 O2 S -","- C68 H64 N12 O8 S4 -","4","1","","Martins, Inês; Martins, Marta; Fernandes, Auguste; André, Vânia; Duarte, M. Teresa","An insight into dapsone co-crystals: sulfones as participants in supramolecular interactions","CrystEngComm","2013","15","40","8173","","10.1039/c3ce41323c","","","0.71073","MoKα","","0.0689","0.0498","","","0.1236","0.1315","","","","","","1.056","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210614","8.27","0.0006","37.058","0.003","5.9595","0.0004","90","","99.089","0.004","90","","1803.5","0.2","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 N3 O3 S -","- C18 H23 N3 O3 S -","- C72 H92 N12 O12 S4 -","4","1","","Martins, Inês; Martins, Marta; Fernandes, Auguste; André, Vânia; Duarte, M. Teresa","An insight into dapsone co-crystals: sulfones as participants in supramolecular interactions","CrystEngComm","2013","15","40","8173","","10.1039/c3ce41323c","","","0.71073","MoKα","","0.1363","0.0581","","","0.1003","0.1167","","","","","","0.951","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210615","7.0582","0.0013","17.577","0.003","8.5676","0.0016","90","","101.257","0.002","90","","1042.5","0.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 N4 -","- C11 H10 N4 -","- C44 H40 N16 -","4","1","","Wang, Yong-Tao; Tang, Gui-Mei; Wang, Jin-Hua; Wan, Wen-Zhu; Qin, Tin-Xiao; Wang, Yong-Qiang; Mou, Kai-Li; Li, Tian-Duo; Ma, Lu-Fang","Dynamic one-dimensional water in a nonporous organic solid with optics response","CrystEngComm","2013","15","37","7430","","10.1039/c3ce41340c","","","0.71073","MoKα","","0.0714","0.0537","","","0.1209","0.1299","","","","","","1.198","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210616","14.032","0.008","19.114","0.01","4.625","0.003","90","","90","","90","","1240.5","1.3","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C11 H14 N4 O2 -","- C11 H14 N4 O2 -","- C44 H56 N16 O8 -","4","1","","Wang, Yong-Tao; Tang, Gui-Mei; Wang, Jin-Hua; Wan, Wen-Zhu; Qin, Tin-Xiao; Wang, Yong-Qiang; Mou, Kai-Li; Li, Tian-Duo; Ma, Lu-Fang","Dynamic one-dimensional water in a nonporous organic solid with optics response","CrystEngComm","2013","15","37","7430","","10.1039/c3ce41340c","","","0.71073","MoKα","","0.0986","0.0469","","","0.1037","0.1272","","","","","","1.011","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210617","13.554","0.002","21.511","0.003","4.517","0.0007","90","","90","","90","","1317","0.3","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C11 H16 N4 O3 -","- C11 H16 N4 O3 -","- C44 H64 N16 O12 -","4","1","","Wang, Yong-Tao; Tang, Gui-Mei; Wang, Jin-Hua; Wan, Wen-Zhu; Qin, Tin-Xiao; Wang, Yong-Qiang; Mou, Kai-Li; Li, Tian-Duo; Ma, Lu-Fang","Dynamic one-dimensional water in a nonporous organic solid with optics response","CrystEngComm","2013","15","37","7430","","10.1039/c3ce41340c","","","0.71073","MoKα","","0.0561","0.0381","","","0.1036","0.118","","","","","","0.829","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210618","32.702","0.003","32.702","0.003","32.702","0.003","90","","90","","90","","34972","6","293","2","293","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C60 H48 N30 O18 Zn3 -","- C60 H48 N30 O18 Zn3 -","- C960 H768 N480 O288 Zn48 -","16","0.0833333","","Xue, Zhen-Zhen; Sheng, Tian-Lu; Zhu, Qi-Long; Yuan, Da-Qiang; Wang, Yan-Long; Tan, Chun-Hong; Hu, Sheng-Min; Wen, Yue-Hong; Wang, Yong; Fu, Rui-Biao; Wu, Xin-Tao","Two cationic metal‒organic frameworks featuring different cage-to-cage connections: syntheses, crystal structures, photoluminescence and gas sorption properties","CrystEngComm","2013","15","40","8139","","10.1039/c3ce41364k","","","0.71073","MoKα","","0.0867","0.0862","","","0.2419","0.2426","","","","","","1.068","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210619","21.703","0.003","20.062","0.003","22.121","0.003","90","","108.799","0.002","90","","9118","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H36 Cl4 N18 O16 Zn2 -","- C45 H36 Cl4 N18 O16 Zn2 -","- C180 H144 Cl16 N72 O64 Zn8 -","4","1","","Xue, Zhen-Zhen; Sheng, Tian-Lu; Zhu, Qi-Long; Yuan, Da-Qiang; Wang, Yan-Long; Tan, Chun-Hong; Hu, Sheng-Min; Wen, Yue-Hong; Wang, Yong; Fu, Rui-Biao; Wu, Xin-Tao","Two cationic metal‒organic frameworks featuring different cage-to-cage connections: syntheses, crystal structures, photoluminescence and gas sorption properties","CrystEngComm","2013","15","40","8139","","10.1039/c3ce41364k","","","0.71073","MoKα","","0.0549","0.0488","","","0.1425","0.1481","","","","","","0.976","","","","has coordinates,has disorder","180437","2020-10-21","18:00:00",""
"7210623","13.1218","0.001","20.9009","0.0017","20.6305","0.0016","90","","90","","90","","5658.1","0.8","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C32 H22 Cd N6 O5 -","- C32 H22 Cd N6 O5 -","- C256 H176 Cd8 N48 O40 -","8","1","","Yuan, Fei; Xie, Juan; Hu, Huai-Ming; Yuan, Chun-Mei; Xu, Bing; Yang, Meng-Lin; Dong, Fa-Xin; Xue, Gang-Lin","Effect of pH/metal ion on the structure of metal‒organic frameworks based on novel bifunctionalized ligand 4′-carboxy-4,2′:6′,4′′-terpyridine","CrystEngComm","2013","15","7","1460","","10.1039/c2ce26171e","","","0.71073","MoKα","","0.0605","0.0398","","","0.0832","0.0909","","","","","","1.075","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210624","8.6115","0.0007","13.5673","0.0011","13.2854","0.0011","90","","106.616","0.001","90","","1487.4","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H10 Cd N3 O4 -","- C17 H10 Cd N3 O4 -","- C68 H40 Cd4 N12 O16 -","4","1","","Yuan, Fei; Xie, Juan; Hu, Huai-Ming; Yuan, Chun-Mei; Xu, Bing; Yang, Meng-Lin; Dong, Fa-Xin; Xue, Gang-Lin","Effect of pH/metal ion on the structure of metal‒organic frameworks based on novel bifunctionalized ligand 4′-carboxy-4,2′:6′,4′′-terpyridine","CrystEngComm","2013","15","7","1460","","10.1039/c2ce26171e","","","0.71073","MoKα","","0.0268","0.0241","","","0.06","0.0613","","","","","","1.055","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210625","19.926","0.007","22.305","0.008","11.721","0.004","90","","116.127","0.004","90","","4677","3","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C17 H10 N3 O4.5 Zn -","- C17 H10 N3 O4.505 Zn -","- C136 H80 N24 O36.04 Zn8 -","8","1","","Yuan, Fei; Xie, Juan; Hu, Huai-Ming; Yuan, Chun-Mei; Xu, Bing; Yang, Meng-Lin; Dong, Fa-Xin; Xue, Gang-Lin","Effect of pH/metal ion on the structure of metal‒organic frameworks based on novel bifunctionalized ligand 4′-carboxy-4,2′:6′,4′′-terpyridine","CrystEngComm","2013","15","7","1460","","10.1039/c2ce26171e","","","0.71073","MoKα","","0.0649","0.0566","","","0.1856","0.1943","","","","","","1.122","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210626","7.8497","0.0007","14.0717","0.0013","13.8997","0.0011","90","","109.381","0.004","90","","1448.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H10 Cu N3 O4 -","- C17 H10 Cu N3 O4 -","- C68 H40 Cu4 N12 O16 -","4","1","","Yuan, Fei; Xie, Juan; Hu, Huai-Ming; Yuan, Chun-Mei; Xu, Bing; Yang, Meng-Lin; Dong, Fa-Xin; Xue, Gang-Lin","Effect of pH/metal ion on the structure of metal‒organic frameworks based on novel bifunctionalized ligand 4′-carboxy-4,2′:6′,4′′-terpyridine","CrystEngComm","2013","15","7","1460","","10.1039/c2ce26171e","","","0.71073","MoKα","","0.0521","0.0421","","","0.1019","0.1078","","","","","","1.059","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210627","7.409","0.005","9.176","0.005","15.771","0.005","96.032","0.005","94.122","0.005","109.011","0.005","1001.7","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H18 Mn N2 O5 -","- C19.95 H19.85 Mn N2 O4.99 -","- C39.9 H39.7 Mn2 N4 O9.98 -","2","1","","Kar, Paramita; Ida, Yumi; Ishida, Takayuki; Ghosh, Ashutosh","Formation of two drastically different MOFs based on Mn(ii)‒benzoate and pyrazine with a change in seasonal temperature: structural analysis and magnetic study","CrystEngComm","2013","15","2","400","","10.1039/c2ce26258d","","","0.71073","MoKα","","0.0715","0.0646","","","0.2098","0.2193","","","","","","1.075","","","","has coordinates,has disorder","180437","2020-10-21","18:00:00",""
"7210628","15.997","0.005","15.389","0.005","28.622","0.005","90","0.005","95.335","0.005","90","0.005","7016","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C74 H58 Mn5 N2 O22 -","- C74 H58 Mn5 N2 O22 -","- C296 H232 Mn20 N8 O88 -","4","0.5","","Kar, Paramita; Ida, Yumi; Ishida, Takayuki; Ghosh, Ashutosh","Formation of two drastically different MOFs based on Mn(ii)‒benzoate and pyrazine with a change in seasonal temperature: structural analysis and magnetic study","CrystEngComm","2013","15","2","400","","10.1039/c2ce26258d","","","0.71073","MoKα","","0.0681","0.0494","","","0.1458","0.155","","","","","","1.131","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210629","10.614","0.002","12.316","0.003","20.809","0.004","90","","104.34","0.03","90","","2635.4","1","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 La O15 P4 -","- C20 H23 La O15 P4 -","- C80 H92 La4 O60 P16 -","4","1","","Białek, Michał J.; Janczak, Jan; Zoń, Jerzy","Naphthalene-based linkers for metal phosphonates: synthesis, structure, and interesting conformational flexibility influence on final lanthanum hybrids","CrystEngComm","2013","15","2","390","","10.1039/c2ce26268a","","","0.71073","MoKα","","0.0277","0.0193","","","0.0483","0.0543","","","","","","1.009","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210630","22.492","0.003","8.066","0.001","15.534","0.002","90","","91.5","0.01","90","","2817.2","0.6","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H16 O8 P2 -","- C11 H16 O8 P2 -","- C88 H128 O64 P16 -","8","1","","Białek, Michał J.; Janczak, Jan; Zoń, Jerzy","Naphthalene-based linkers for metal phosphonates: synthesis, structure, and interesting conformational flexibility influence on final lanthanum hybrids","CrystEngComm","2013","15","2","390","","10.1039/c2ce26268a","","","0.71073","MoKα","","0.0434","0.0275","","","0.0648","0.0759","","","","","","1.024","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210631","16.2835","0.0005","7.8798","0.0002","19.1588","0.0005","90","","90","","90","","2458.28","0.12","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H12 O6 P2 -","- C11 H12 O6 P2 -","- C88 H96 O48 P16 -","8","1","","Białek, Michał J.; Janczak, Jan; Zoń, Jerzy","Naphthalene-based linkers for metal phosphonates: synthesis, structure, and interesting conformational flexibility influence on final lanthanum hybrids","CrystEngComm","2013","15","2","390","","10.1039/c2ce26268a","","","0.71073","MoKα","","0.0973","0.0447","","","0.1058","0.1271","","","","","","1.002","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210632","9.2113","0.0002","26.5836","0.0005","6.8556","0.0001","90","","96.74","0.002","90","","1667.13","0.05","295","2","295","2","","","","","","","","5","C 1 m 1","C -2y","8","","","","- C22 H39 La O21 P4 -","- C22 H38 La O21 P4 -","- C44 H76 La2 O42 P8 -","2","0.5","","Białek, Michał J.; Janczak, Jan; Zoń, Jerzy","Naphthalene-based linkers for metal phosphonates: synthesis, structure, and interesting conformational flexibility influence on final lanthanum hybrids","CrystEngComm","2013","15","2","390","","10.1039/c2ce26268a","","","0.71073","MoKα","","0.0181","0.0173","","","0.0413","0.0417","","","","","","1.028","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210633","23.267","0.004","4.886","0.001","12.329","0.002","90","","93.18","0.01","90","","1399.4","0.4","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H14 O8 P2 -","- C10 H14 O8 P2 -","- C40 H56 O32 P8 -","4","1","","Białek, Michał J.; Janczak, Jan; Zoń, Jerzy","Naphthalene-based linkers for metal phosphonates: synthesis, structure, and interesting conformational flexibility influence on final lanthanum hybrids","CrystEngComm","2013","15","2","390","","10.1039/c2ce26268a","","","0.71073","MoKα","","0.1113","0.0441","","","0.0783","0.0947","","","","","","1.016","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210634","6.0078","0.0004","16.9401","0.0012","13.0061","0.0008","90","","116.158","0.003","90","","1188.1","0.14","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 N O5 S Sr -","- C9 H9 N O5 S Sr -","- C36 H36 N4 O20 S4 Sr4 -","4","1","","Chen, Qian; Guo, Ping-Chun; Zhao, Shun-Ping; Liu, Jian-Lan; Ren, Xiao-Ming","A rhombus channel metal‒organic framework comprised of Sr2+ and thiophene-2, 5-dicarboxylic acid exhibiting novel dielectric bistability","CrystEngComm","2013","15","6","1264","","10.1039/c2ce26450a","","","0.71073","MoKα","","0.0331","0.0239","","","0.0569","0.0592","","","","","","1.056","","","","has coordinates,has disorder","180437","2020-10-21","18:00:00",""
"7210635","9.6317","0.0006","10.0666","0.0006","13.223","0.0008","100.815","0.001","108.214","0.001","102.074","0.001","1145.87","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H20 N3 O4 Zn -","- C27 H20 N3 O4 Zn -","- C54 H40 N6 O8 Zn2 -","2","1","","Zhou, Jianliang; Wang, Yuanyuan; Qin, Ling; Zhang, Mingdao; Yang, Qingxiang; Zheng, Hegen","Syntheses, characterizations and properties of five new metal‒organic complexes based on flexible ligand 4,4′-(phenylazanediyl)dibenzoic acid","CrystEngComm","2013","15","3","616","","10.1039/c2ce26521d","","","0.71073","MoKα","","0.0475","0.039","","","0.0894","0.0928","","","","","","0.948","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210636","28.3656","0.0016","11.4712","0.0006","18.2929","0.001","90","","102.876","0.001","90","","5802.6","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H28 Co N4 O5 -","- C33 H28 Co N4 O5 -","- C264 H224 Co8 N32 O40 -","8","1","","Zhou, Jianliang; Wang, Yuanyuan; Qin, Ling; Zhang, Mingdao; Yang, Qingxiang; Zheng, Hegen","Syntheses, characterizations and properties of five new metal‒organic complexes based on flexible ligand 4,4′-(phenylazanediyl)dibenzoic acid","CrystEngComm","2013","15","3","616","","10.1039/c2ce26521d","","","0.71073","MoKα","","0.0554","0.0428","","","0.118","0.1245","","","","","","1.005","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210637","28.676","0.004","11.7344","0.0015","17.82","0.003","90","","101.202","0.002","90","","5882.1","1.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H21 Cd N3 O4 -","- C30 H21 Cd N3 O4 -","- C240 H168 Cd8 N24 O32 -","8","1","","Zhou, Jianliang; Wang, Yuanyuan; Qin, Ling; Zhang, Mingdao; Yang, Qingxiang; Zheng, Hegen","Syntheses, characterizations and properties of five new metal‒organic complexes based on flexible ligand 4,4′-(phenylazanediyl)dibenzoic acid","CrystEngComm","2013","15","3","616","","10.1039/c2ce26521d","","","0.71073","MoKα","","0.0653","0.0448","","","0.1301","0.1413","","","","","","1.02","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210638","11.972","0.003","12.043","0.004","27.792","0.008","90","","99.959","0.004","90","","3947","2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H27 N5 O4 Zn -","- C38 H27 N5 O4 Zn -","- C152 H108 N20 O16 Zn4 -","4","1","","Zhou, Jianliang; Wang, Yuanyuan; Qin, Ling; Zhang, Mingdao; Yang, Qingxiang; Zheng, Hegen","Syntheses, characterizations and properties of five new metal‒organic complexes based on flexible ligand 4,4′-(phenylazanediyl)dibenzoic acid","CrystEngComm","2013","15","3","616","","10.1039/c2ce26521d","","","0.71073","MoKα","","0.0915","0.0756","","","0.2144","0.232","","","","","","1.079","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210639","25.0837","0.0011","8.7814","0.0004","22.6654","0.001","90","","91.853","0.001","90","","4989.9","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H19 Co N2 O4 -","- C28 H19 Co N2 O4 -","- C224 H152 Co8 N16 O32 -","8","1","","Zhou, Jianliang; Wang, Yuanyuan; Qin, Ling; Zhang, Mingdao; Yang, Qingxiang; Zheng, Hegen","Syntheses, characterizations and properties of five new metal‒organic complexes based on flexible ligand 4,4′-(phenylazanediyl)dibenzoic acid","CrystEngComm","2013","15","3","616","","10.1039/c2ce26521d","","","0.71073","MoKα","","0.0559","0.0492","","","0.1376","0.1436","","","","","","1.073","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210640","4.84119","0.00015","31.5272","0.001","7.9505","0.0003","90","","93.844","0.003","90","","1210.75","0.07","123","","123","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 Cl N -","- C14 H14 Cl N -","- C56 H56 Cl4 N4 -","4","1","","Yamada, Shinji; Sako, Nodoka; Okuda, Mai; Hozumi, Atsuko","A dual-synthon in pyridinium chloride: formation of ladder-like and columnar motifs through hydrogen bonds and cation‒π interactions","CrystEngComm","2013","15","1","199","","10.1039/c2ce26547h","","","1.54187","CuKa","","","0.0929","","","","0.2658","","","","","","1.04","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210641","18.1754","0.0004","6.91256","0.00013","25.7534","0.0005","90","","110.555","0.0009","90","","3029.63","0.11","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H45 Cl3 N2 O4 -","- C28 H28 Cl3 N2 O4 -","- C112 H112 Cl12 N8 O16 -","4","1","","Yamada, Shinji; Sako, Nodoka; Okuda, Mai; Hozumi, Atsuko","A dual-synthon in pyridinium chloride: formation of ladder-like and columnar motifs through hydrogen bonds and cation‒π interactions","CrystEngComm","2013","15","1","199","","10.1039/c2ce26547h","","","1.54187","CuKα","","","0.0741","","","","0.2346","","","","","","1.064","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210642","4.8772","0.0002","16.2559","0.0007","18.5704","0.0008","80.839","0.003","87.297","0.002","84.649","0.003","1446.43","0.11","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H16.5 Cl1.5 N O -","- C14 H14 Cl1.5 N O -","- C56 H56 Cl6 N4 O4 -","4","2","","Yamada, Shinji; Sako, Nodoka; Okuda, Mai; Hozumi, Atsuko","A dual-synthon in pyridinium chloride: formation of ladder-like and columnar motifs through hydrogen bonds and cation‒π interactions","CrystEngComm","2013","15","1","199","","10.1039/c2ce26547h","","","1.54187","CuKα","","","0.0884","","","","0.1799","","","","","","1.034","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210643","4.70335","0.00013","32.1116","0.0009","8.1926","0.0003","90","","98.0162","0.0019","90","","1225.26","0.07","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 Br Cl N -","- C13 H11 Br Cl N -","- C52 H44 Br4 Cl4 N4 -","4","1","","Yamada, Shinji; Sako, Nodoka; Okuda, Mai; Hozumi, Atsuko","A dual-synthon in pyridinium chloride: formation of ladder-like and columnar motifs through hydrogen bonds and cation‒π interactions","CrystEngComm","2013","15","1","199","","10.1039/c2ce26547h","","","1.54187","CuKα","","","0.0658","","","","0.1743","","","","","","1.108","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210644","4.79","0.0001","8.28058","0.00017","16.2189","0.0004","105.827","0.0014","91.591","0.0013","98.634","0.0014","610.31","0.02","123","","123","","","","","","","","","5","P 1","P 1","1","","","","- C13 H11 Cl N2 O2 -","- C13 H11 Cl N2 O2 -","- C26 H22 Cl2 N4 O4 -","2","2","","Yamada, Shinji; Sako, Nodoka; Okuda, Mai; Hozumi, Atsuko","A dual-synthon in pyridinium chloride: formation of ladder-like and columnar motifs through hydrogen bonds and cation‒π interactions","CrystEngComm","2013","15","1","199","","10.1039/c2ce26547h","","","1.54187","CuKα","","","0.0449","","","","0.1981","","","","","","1.206","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210645","5.0232","0.0003","7.3643","0.0003","17.3038","0.0008","92.657","0.003","91.992","0.003","92.424","0.004","638.42","0.05","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H11 Cl F3 N -","- C14 H11 Cl F3 N -","- C28 H22 Cl2 F6 N2 -","2","1","","Yamada, Shinji; Sako, Nodoka; Okuda, Mai; Hozumi, Atsuko","A dual-synthon in pyridinium chloride: formation of ladder-like and columnar motifs through hydrogen bonds and cation‒π interactions","CrystEngComm","2013","15","1","199","","10.1039/c2ce26547h","","","1.54187","CuKα","","","0.0631","","","","0.1487","","","","","","0.992","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210646","12.996","0.005","22.878","0.005","13.696","0.005","90","0.005","93.972","0.005","90","0.005","4062","2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H31 Cu N5 O4 -","- C17 H31 Cu N5 O4 -","- C136 H248 Cu8 N40 O32 -","8","2","","Semerci, Fatih; Yeşilel, Okan Zafer; Keskin, Seda; Darcan, Cihan; Taş, Murat; Dal, Hakan","Construction of homo- and heterometallic-pyridine-2,3-dicarboxylate metallosupramolecular networks with structural diversity: 1D T5(2) water tape and unexpected coordination mode of pyridine-2,3-dicarboxylate","CrystEngComm","2013","15","6","1244","","10.1039/c2ce26675j","","","0.71069","MoKα","","0.1157","0.0556","","","0.1376","0.1729","","","","","","1.025","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210647","11.135","","13.601","","14.886","","90","","96.37","","90","","2240.52","","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H50 Cu2 N10 O10 -","- C38 H50 Cu2 N10 O10 -","- C76 H100 Cu4 N20 O20 -","2","0.5","","Semerci, Fatih; Yeşilel, Okan Zafer; Keskin, Seda; Darcan, Cihan; Taş, Murat; Dal, Hakan","Construction of homo- and heterometallic-pyridine-2,3-dicarboxylate metallosupramolecular networks with structural diversity: 1D T5(2) water tape and unexpected coordination mode of pyridine-2,3-dicarboxylate","CrystEngComm","2013","15","6","1244","","10.1039/c2ce26675j","","","0.71073","MoKα","","0.0905","0.0468","","","0.1006","0.1153","","","","","","0.981","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210648","13.536","","9.938","","16.885","","90","","90","","90","","2271.38","","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 Cd N5 O4 -","- C19 H23 Cd N5 O4 -","- C76 H92 Cd4 N20 O16 -","4","1","","Semerci, Fatih; Yeşilel, Okan Zafer; Keskin, Seda; Darcan, Cihan; Taş, Murat; Dal, Hakan","Construction of homo- and heterometallic-pyridine-2,3-dicarboxylate metallosupramolecular networks with structural diversity: 1D T5(2) water tape and unexpected coordination mode of pyridine-2,3-dicarboxylate","CrystEngComm","2013","15","6","1244","","10.1039/c2ce26675j","","","0.71073","MoKα","","0.1166","0.05","","","0.1023","0.1341","","","","","","0.822","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210649","23.396","0.005","6.654","0.005","23.775","0.005","90","","112.26","0.03","90","","3425","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H46 Ag2 Cu N8 O16 -","- C20 H46 Ag2 Cu N8 O16 -","- C80 H184 Ag8 Cu4 N32 O64 -","4","0.5","","Semerci, Fatih; Yeşilel, Okan Zafer; Keskin, Seda; Darcan, Cihan; Taş, Murat; Dal, Hakan","Construction of homo- and heterometallic-pyridine-2,3-dicarboxylate metallosupramolecular networks with structural diversity: 1D T5(2) water tape and unexpected coordination mode of pyridine-2,3-dicarboxylate","CrystEngComm","2013","15","6","1244","","10.1039/c2ce26675j","","","0.71073","MoKα","","0.0983","0.0633","","","0.1701","0.2182","","","","","","1.106","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210650","16.435","","7.076","","20.06","","90","","107.66","","90","","2222.92","","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C14 H20 Cd Cu N2 O14 -","- C14 H18 Cd Cu N2 O14 -","- C56 H72 Cd4 Cu4 N8 O56 -","4","0.5","","Semerci, Fatih; Yeşilel, Okan Zafer; Keskin, Seda; Darcan, Cihan; Taş, Murat; Dal, Hakan","Construction of homo- and heterometallic-pyridine-2,3-dicarboxylate metallosupramolecular networks with structural diversity: 1D T5(2) water tape and unexpected coordination mode of pyridine-2,3-dicarboxylate","CrystEngComm","2013","15","6","1244","","10.1039/c2ce26675j","","","0.71073","MoKα","","0.0929","0.0771","","","0.2406","0.2592","","","","","","1.07","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210651","6.7098","0.0013","21.342","0.004","13.358","0.004","90","","106.86","0.03","90","","1830.7","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 Co3 N20 O4 -","- C28 H28 Co3 N20 O4 -","- C56 H56 Co6 N40 O8 -","2","0.5","","Sun, Jia-Yin; Wang, Li; Zhang, Dao-Jun; Li, Da; Cao, Yu; Zhang, Li-Ying; Zeng, Shuang-Li; Pang, Guang-Sheng; Fan, Yong; Xu, Jia-Ning; Song, Tian-You","Construction of metal‒organic coordination polymers derived from 4-substituted tetrazole‒benzoate ligands: synthesis, structure, luminescence, and magnetic behaviors","CrystEngComm","2013","15","17","3402","","10.1039/c2ce26793d","","","0.71073","MoKα","","0.0368","0.0307","","","0.0755","0.0785","","","","","","1.056","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210652","10.1598","0.0002","10.1598","0.0002","14.4082","0.0005","90","","90","","90","","1487.24","0.07","293","2","293","2","","","","","","","","4","P -4 n 2","P -4 -2n","118","","","","- C14 H12 N10 Zn -","- C14 H12 N10 Zn -","- C56 H48 N40 Zn4 -","4","0.5","","Sun, Jia-Yin; Wang, Li; Zhang, Dao-Jun; Li, Da; Cao, Yu; Zhang, Li-Ying; Zeng, Shuang-Li; Pang, Guang-Sheng; Fan, Yong; Xu, Jia-Ning; Song, Tian-You","Construction of metal‒organic coordination polymers derived from 4-substituted tetrazole‒benzoate ligands: synthesis, structure, luminescence, and magnetic behaviors","CrystEngComm","2013","15","17","3402","","10.1039/c2ce26793d","","","0.71073","MoKα","","0.0316","0.0241","","","0.0613","0.0653","","","","","","1.047","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210653","9.6538","0.0011","6.8521","0.0007","12.5458","0.001","90","","106.164","0.006","90","","797.08","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 Ag N5 -","- C7 H6 Ag N5 -","- C28 H24 Ag4 N20 -","4","1","","Sun, Jia-Yin; Wang, Li; Zhang, Dao-Jun; Li, Da; Cao, Yu; Zhang, Li-Ying; Zeng, Shuang-Li; Pang, Guang-Sheng; Fan, Yong; Xu, Jia-Ning; Song, Tian-You","Construction of metal‒organic coordination polymers derived from 4-substituted tetrazole‒benzoate ligands: synthesis, structure, luminescence, and magnetic behaviors","CrystEngComm","2013","15","17","3402","","10.1039/c2ce26793d","","","0.71073","MoKα","","0.052","0.0386","","","0.1012","0.1075","","","","","","1.1","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210654","12.0719","0.0006","7.3729","0.0004","10.1929","0.0005","90","","106.434","0.001","90","","870.15","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 Co N4 O3 -","- C8 H6 Co N4 O3 -","- C32 H24 Co4 N16 O12 -","4","1","","Sun, Jia-Yin; Wang, Li; Zhang, Dao-Jun; Li, Da; Cao, Yu; Zhang, Li-Ying; Zeng, Shuang-Li; Pang, Guang-Sheng; Fan, Yong; Xu, Jia-Ning; Song, Tian-You","Construction of metal‒organic coordination polymers derived from 4-substituted tetrazole‒benzoate ligands: synthesis, structure, luminescence, and magnetic behaviors","CrystEngComm","2013","15","17","3402","","10.1039/c2ce26793d","","","0.71073","MoKα","","0.0276","0.024","","","0.0606","0.0624","","","","","","1.054","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210655","17.362","0.015","7.135","0.006","7.475","0.006","90","","90","","90","","926","1.3","296","2","296","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C8 H4 N4 O2 Pb -","- C8 H4 N4 O2 Pb -","- C32 H16 N16 O8 Pb4 -","4","0.5","","Sun, Jia-Yin; Wang, Li; Zhang, Dao-Jun; Li, Da; Cao, Yu; Zhang, Li-Ying; Zeng, Shuang-Li; Pang, Guang-Sheng; Fan, Yong; Xu, Jia-Ning; Song, Tian-You","Construction of metal‒organic coordination polymers derived from 4-substituted tetrazole‒benzoate ligands: synthesis, structure, luminescence, and magnetic behaviors","CrystEngComm","2013","15","17","3402","","10.1039/c2ce26793d","","","0.71073","MoKα","","0.0307","0.03","","","0.0762","0.0766","","","","","","1.112","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210656","17.4047","0.0013","26.943","0.002","17.9892","0.0015","90","","106.941","0.004","90","","8069.7","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","catena-(bis(μ~9~-(5,5',5'',5'''-((Adamantane-1,3,5,7-tetrayl)- tetra-(phen-4-yl))-tetrakistetrazolato))- bis-(μ~2~-chloro)-tetraaqua-tetrakisdimethylformamido- penta-manganese(ii) dimethylformamide and water solvate )","","- C109 H147 Cl2 Mn5 N43 O18 -","- C117.922 H70 Cl2 Mn5 N43.458 O17.5 -","- C235.844 H140 Cl4 Mn10 N86.916 O35 -","2","0.5","","Boldog, Ishtvan; Domasevitch, Konstantin V.; Baburin, Igor A.; Ott, Holger; Gil-Hernández, Beatriz; Sanchiz, Joaquín; Janiak, Christoph","A rare alb-4,8-Cmce metal‒coordination network based on tetrazolate and phosphonate functionalized 1,3,5,7-tetraphenyladamantane","CrystEngComm","2013","15","6","1235","","10.1039/c2ce26819a","","","0.71073","MoKα","","0.1289","0.0994","","","0.2659","0.2919","","","","","","1.081","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"7210657","22.6358","0.0007","19.0353","0.0005","27.9879","0.0011","90","","110.636","0.002","90","","11285.7","0.7","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-[{μ~5~- pentahydrogen((adamant-1,3,5,7-tetrayl)-phen-4-yl)- tetraphosphonate-O,O',O'',O''',O'''')- -triaqua-lantanum(iii)} water and methanol solvate]","","- C34 H39 La O15 P4 -","- C36.35 H27.808 La O17.8 P4 -","- C290.8 H222.464 La8 O142.4 P32 -","8","1","","Boldog, Ishtvan; Domasevitch, Konstantin V.; Baburin, Igor A.; Ott, Holger; Gil-Hernández, Beatriz; Sanchiz, Joaquín; Janiak, Christoph","A rare alb-4,8-Cmce metal‒coordination network based on tetrazolate and phosphonate functionalized 1,3,5,7-tetraphenyladamantane","CrystEngComm","2013","15","6","1235","","10.1039/c2ce26819a","","","0.71073","MoKα","","0.1627","0.0994","","","0.2592","0.3014","","","","","","1.051","","","","has coordinates,has disorder","180437","2020-10-21","18:00:00",""
"7210658","18.5326","0.0014","13.145","0.0014","14.9863","0.0016","90","","122.453","0.003","90","","3080.7","0.5","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Co-mellitate-MeOH","","","- C14 H48 Co3 O34 -","- C14 H34 Co3 O30 -","- C56 H136 Co12 O120 -","4","0.5","","Li, Meng-Yuan; Sevov, Slavi C.","Synthesis, characterization, and magnetic studies of a series of metal‒mellitate coordination polymers","CrystEngComm","2013","15","6","1225","","10.1039/c2ce26866c","","","0.71073","MoKα","","0.0294","0.0243","","","0.0628","0.0658","","","","","","1.04","","","","has coordinates,has disorder","180437","2020-10-21","18:00:00",""
"7210659","24.165","0.004","9.0577","0.0012","16.073","0.002","90","","100.167","0.004","90","","3462.8","0.9","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Cobalt-mellitate","","","- C12 H12 Co3 O18 -","- C12 H12 Co3 O18 -","- C96 H96 Co24 O144 -","8","1","","Li, Meng-Yuan; Sevov, Slavi C.","Synthesis, characterization, and magnetic studies of a series of metal‒mellitate coordination polymers","CrystEngComm","2013","15","6","1225","","10.1039/c2ce26866c","","","0.71073","MoKα","","0.0262","0.021","","","0.0544","0.0572","","","","","","1.05","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210660","20.8707","0.0017","6.4205","0.0005","16.0526","0.0013","90","","122.827","0.001","90","","1807.6","0.3","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","[Co4(mel)(OH)2(H2O)]6(H2O)","","","- C12 H14 Co4 O20 -","- C12 H14 Co4 O20 -","- C48 H56 Co16 O80 -","4","0.5","","Li, Meng-Yuan; Sevov, Slavi C.","Synthesis, characterization, and magnetic studies of a series of metal‒mellitate coordination polymers","CrystEngComm","2013","15","6","1225","","10.1039/c2ce26866c","","","0.71073","MoKα","","0.0295","0.0212","","","0.0445","0.0473","","","","","","1.059","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210661","15.7969","0.0008","20.9803","0.0011","20.0682","0.001","90","","96.453","0.002","90","","6608.9","0.6","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Mn-bpy-mellitate","","","- C64 H52.17 Mn4 N8 O32.08 -","- C64 H52 Mn4 N8 O32.088 -","- C256 H208 Mn16 N32 O128.352 -","4","1","","Li, Meng-Yuan; Sevov, Slavi C.","Synthesis, characterization, and magnetic studies of a series of metal‒mellitate coordination polymers","CrystEngComm","2013","15","6","1225","","10.1039/c2ce26866c","","","1.54178","CuKα","","0.0392","0.0314","","","0.0718","0.0756","","","","","","1.025","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210662","9.0764","0.0003","21.9597","0.0008","16.5364","0.0006","90","","94.617","0.002","90","","3285.3","0.2","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(Mn2(H2mel)(phen)2(H2O)2)","","","- C72 H44 Mn4 N8 O28 -","- C72 H44 Mn4 N8 O28 -","- C144 H88 Mn8 N16 O56 -","2","0.5","","Li, Meng-Yuan; Sevov, Slavi C.","Synthesis, characterization, and magnetic studies of a series of metal‒mellitate coordination polymers","CrystEngComm","2013","15","6","1225","","10.1039/c2ce26866c","","","1.54178","CuKα","","0.0522","0.0458","","","0.1121","0.1154","","","","","","1.056","","","","has coordinates,has disorder","180437","2020-10-21","18:00:00",""
"7210672","8.0832","0.001","8.7332","0.0008","9.2121","0.0008","80.892","0.008","71.071","0.01","74.681","0.009","591.4","0.11","120","1","120","1","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 Fe N10 Se2 -","- C24 H16 Fe N10 Se2 -","- C24 H16 Fe N10 Se2 -","1","0.5","","Arcís-Castillo, Zulema; Piñeiro-López, Lucía; Muñoz, M. Carmen; Ballesteros, Rafael; Abarca, Belén; Real, José Antonio","Structural, magnetic and calorimetric studies of a crystalline phase of the spin crossover compound [Fe(tzpy)2(NCSe)2]","CrystEngComm","2013","15","17","3455","","10.1039/c3ce00003f","","","0.71073","MoKα","","0.093","0.0568","","","0.121","0.1524","","","","","","0.916","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210673","8.19","0.003","8.861","0.003","9.396","0.002","80.68","0.03","71.62","0.03","76.25","0.03","625.7","0.4","325","1","325","1","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 Fe N10 Se2 -","- C24 H16 Fe N10 Se2 -","- C24 H16 Fe N10 Se2 -","1","0.5","","Arcís-Castillo, Zulema; Piñeiro-López, Lucía; Muñoz, M. Carmen; Ballesteros, Rafael; Abarca, Belén; Real, José Antonio","Structural, magnetic and calorimetric studies of a crystalline phase of the spin crossover compound [Fe(tzpy)2(NCSe)2]","CrystEngComm","2013","15","17","3455","","10.1039/c3ce00003f","","","0.71073","MoKα","","0.1049","0.0655","","","0.1207","0.1787","","","","","","0.931","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210674","17.1875","0.0002","17.1875","0.0002","12.1717","0.0002","90","","90","","90","","3595.64","0.08","2","2","2","2","","","","","","","AF18","4","I -4","I -4","82","","","","- C36 H72 Mn12 O56 -","- C36 H72 Mn12 O56 -","- C72 H144 Mn24 O112 -","2","0.25","","Farrell, Andrew R.; Coome, Jonathan A.; Probert, Michael R.; Goeta, Andrès E.; Howard, Judith A. K.; Lemée-Cailleau, Marie-Hélène; Parsons, Simon; Murrie, Mark","Ultra-low temperature structure determination of a Mn12 single-molecule magnet and the interplay between lattice solvent and structural disorder","CrystEngComm","2013","15","17","3423","","10.1039/c3ce00042g","","x-ray","0.71073","MoKα","K-L~3~","0.0408","0.0366","","","0.0888","0.0907","","","","","","1.077","","","","has coordinates,has disorder","288544","2023-12-24","01:38:19",""
"7210675","17.235","0.004","17.235","0.004","12.038","0.003","90","","90","","90","","3575.8","1.5","100","","100","","","","","","","","AF37A","4","I -4","I -4","82","","","","- C32 H64 Mn12 O52 -","- C32 H64 Mn12 O52 -","- C64 H128 Mn24 O104 -","2","0.25","","Farrell, Andrew R.; Coome, Jonathan A.; Probert, Michael R.; Goeta, Andrès E.; Howard, Judith A. K.; Lemée-Cailleau, Marie-Hélène; Parsons, Simon; Murrie, Mark","Ultra-low temperature structure determination of a Mn12 single-molecule magnet and the interplay between lattice solvent and structural disorder","CrystEngComm","2013","15","17","3423","","10.1039/c3ce00042g","","","0.71073","MoKα","","0.0458","0.0434","","0.0372","0.0329","0.0332","","","","","","1.1297","","","","has coordinates","288544","2023-12-24","01:38:19",""
"7210676","16.0506","0.0012","16.0506","0.0012","11.9067","0.0012","90","","90","","90","","3067.4","0.4","100","","100","","","","","","","","AF37A","4","I -4","I -4","82","","","","- C32 H56 Mn12 O48 -","- C32 H56 Mn12 O48 -","- C64 H112 Mn24 O96 -","2","0.25","","Farrell, Andrew R.; Coome, Jonathan A.; Probert, Michael R.; Goeta, Andrès E.; Howard, Judith A. K.; Lemée-Cailleau, Marie-Hélène; Parsons, Simon; Murrie, Mark","Ultra-low temperature structure determination of a Mn12 single-molecule magnet and the interplay between lattice solvent and structural disorder","CrystEngComm","2013","15","17","3423","","10.1039/c3ce00042g","","","0.71073","MoKα","","0.0234","0.0223","","0.0459","0.045","0.0457","","","","","","0.9668","","","","has coordinates","288544","2023-12-24","01:38:19",""
"7210677","21.1177","0.0016","14.9308","0.0011","8.8929","0.0007","90","","90","","90","","2804","0.4","293","2","293","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C26 H16 Mn N14 S2 -","- C26 H16 Mn N14 S2 -","- C104 H64 Mn4 N56 S8 -","4","","","Seth, Piya; Bauzá, Antonio; Frontera, Antonio; Massera, Chiara; Gamez, Patrick; Ghosh, Ashutosh","Analysis of the contribution of the π-acidity of the s-tetrazine ring in the crystal packing of coordination polymers","CrystEngComm","2013","15","15","3031","","10.1039/c3ce00058c","","","0.71073","MoKα","","0.0595","0.0379","","","0.092","0.1029","","","","","","1.037","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210678","15.637","0.005","5.627","0.005","16.468","0.005","90","0.005","116.561","0.005","90","0.005","1296.1","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 Mn N6 O6 -","- C28 H26 Mn N6 O6 -","- C56 H52 Mn2 N12 O12 -","2","0.5","","Seth, Piya; Bauzá, Antonio; Frontera, Antonio; Massera, Chiara; Gamez, Patrick; Ghosh, Ashutosh","Analysis of the contribution of the π-acidity of the s-tetrazine ring in the crystal packing of coordination polymers","CrystEngComm","2013","15","15","3031","","10.1039/c3ce00058c","","","0.71073","MoKα","","0.0429","0.0329","","","0.0824","0.0875","","","","","","1.048","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210679","11.336","0.005","12.249","0.005","13.784","0.005","85.864","0.005","67.811","0.005","74.415","0.005","1706.1","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H46 Mn3 N12 O12 -","- C66 H46 Mn3 N12 O12 -","- C66 H46 Mn3 N12 O12 -","1","0.5","","Seth, Piya; Bauzá, Antonio; Frontera, Antonio; Massera, Chiara; Gamez, Patrick; Ghosh, Ashutosh","Analysis of the contribution of the π-acidity of the s-tetrazine ring in the crystal packing of coordination polymers","CrystEngComm","2013","15","15","3031","","10.1039/c3ce00058c","","","0.71073","MoKα","","0.1196","0.0581","","","0.136","0.1639","","","","","","0.903","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210680","11.0483","0.0006","20.7209","0.0011","22.0818","0.0014","115.715","0.006","99.403","0.005","90.774","0.004","4473.1","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H40 Co4 N4 O22 -","- C52 H40 Co4 N4 O22 -","- C104 H80 Co8 N8 O44 -","2","1","","Li, Huijun; Han, Yi; Lv, Xiaofeng; Du, Shanshan; Hou, Hongwei; Fan, Yaoting","3D CoII, NiII, CoII-doped NiII noninterpenetrated ladder-polymers: structural and magnetic studies","CrystEngComm","2013","15","18","3672","","10.1039/c3ce00061c","","","0.71073","MoKα","","0.1145","0.0645","","","0.1639","0.1842","","","","","","0.881","","","","has coordinates,has disorder","180437","2020-10-21","18:00:00",""
"7210681","16.783","0.0013","14.1889","0.001","18.6834","0.0014","90","","97.743","0.001","90","","4408.6","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H20 N2 Ni2 O11 -","- C26 H20 N2 Ni2 O11 -","- C104 H80 N8 Ni8 O44 -","4","0.5","","Li, Huijun; Han, Yi; Lv, Xiaofeng; Du, Shanshan; Hou, Hongwei; Fan, Yaoting","3D CoII, NiII, CoII-doped NiII noninterpenetrated ladder-polymers: structural and magnetic studies","CrystEngComm","2013","15","18","3672","","10.1039/c3ce00061c","","","0.71073","MoKα","","0.0691","0.043","","","0.1034","0.111","","","","","","0.816","","","","has coordinates,has disorder","180437","2020-10-21","18:00:00",""
"7210682","16.846","0.012","14.179","0.01","18.754","0.014","90","","97.701","0.01","90","","4439","6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H20 Co0.94 N2 Ni1.06 O11 -","- C26 H20 Co0.94 N2 Ni1.06 O11 -","- C104 H80 Co3.76 N8 Ni4.24 O44 -","4","0.5","","Li, Huijun; Han, Yi; Lv, Xiaofeng; Du, Shanshan; Hou, Hongwei; Fan, Yaoting","3D CoII, NiII, CoII-doped NiII noninterpenetrated ladder-polymers: structural and magnetic studies","CrystEngComm","2013","15","18","3672","","10.1039/c3ce00061c","","","0.71073","MoKα","","0.1235","0.0761","","","0.2046","0.2232","","","","","","0.988","","","","has coordinates,has disorder","180437","2020-10-21","18:00:00",""
"7210683","24.401","0.004","24.401","0.004","11.5733","0.0018","90","","90","","120","","5967.6","1.7","173","2","173","2","","","","","","","","5","R 3 m :H","R 3 -2""","160","","","","- C12 H31 Cu3 N7 O8 -","- C12 H24 Cu3 N7 O8 -","- C108 H216 Cu27 N63 O72 -","9","0.5","","Xia, Bing; Chen, Zhenxia; Zheng, Qingshu; Zheng, Hua; Deng, Mingli; Ling, Yun; Weng, Linhong; Zhou, Yaming","A flexible porous metal‒azolate framework constructed by [Cu3(μ3-OH)(μ2-O)(triazolate)2]+ building blocks: synthesis, reversible structural transformation and related magnetic properties","CrystEngComm","2013","15","17","3484","","10.1039/c3ce00070b","","","0.71073","MoKα","","0.0615","0.0555","","","0.1499","0.1568","","","","","","1.132","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210684","24.9131","0.0014","24.9131","0.0014","10.8608","0.0012","90","","90","","120","","5837.8","0.8","173","2","173","2","","","","","","","","5","R 3 m :H","R 3 -2""","160","","","","- C9 H24 Cu3 N6 O9 -","- C9 H24 Cu3 N6 O9 -","- C81 H216 Cu27 N54 O81 -","9","0.5","","Xia, Bing; Chen, Zhenxia; Zheng, Qingshu; Zheng, Hua; Deng, Mingli; Ling, Yun; Weng, Linhong; Zhou, Yaming","A flexible porous metal‒azolate framework constructed by [Cu3(μ3-OH)(μ2-O)(triazolate)2]+ building blocks: synthesis, reversible structural transformation and related magnetic properties","CrystEngComm","2013","15","17","3484","","10.1039/c3ce00070b","","","0.71073","MoKα","","0.0711","0.0658","","","0.1866","0.1902","","","","","","1.154","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210685","51.5597","0.0007","58.692","0.0008","3.381","","90","","90","","90","","10231.4","0.2","296","2","296","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- B8 Cd7 Na2 O20 -","- B8 Cd7 Na2 O20 -","- B192 Cd168 Na48 O480 -","24","1.5","","Zhou, Lin; Pan, Shilie; Dong, Xiaoyu; Yu, Hongwei; Wu, Hongping; Zhang, Fangfang; Zhou, Zhongxiang","Na2Cd7B8O20: a new noncentrosymmetric compound with special [B3O7] units","CrystEngComm","2013","15","17","3412","","10.1039/c3ce26587k","","","0.71073","MoKα","","0.0507","0.0412","","","0.1016","0.1074","","","","","","1.063","","","","has coordinates,has disorder","180437","2020-10-21","18:00:00",""
"7210686","32.44","0.005","38.7","0.005","14.781","0.005","90","0.005","90","0.005","90","0.005","18556","7","298","2","298","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C52 H36 Cd N10 S2 -","- C52 H36 Cd N10 S2 -","- C832 H576 Cd16 N160 S32 -","16","1","","Jin, Feng; Wang, Hui-Zhen; Zhang, Ying; Wang, Yang; Zhang, Jun; Kong, Lin; Hao, Fu-Ying; Yang, Jia-Xiang; Wu, Jie-Ying; Tian, Yu-Peng; Zhou, Hong-Ping","Metal cation- and anion-induced assembly: structures and luminescent properties","CrystEngComm","2013","15","18","3687","","10.1039/c3ce26685k","","","0.71069","MoKα","","0.0457","0.0398","","","0.1191","0.1262","","","","","","1.017","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210687","13.46","0.005","25.921","0.005","7.34","0.005","90","0.005","95.017","0.005","90","0.005","2551","2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H18 Hg N6 S2 -","- C27 H18 Hg N6 S2 -","- C108 H72 Hg4 N24 S8 -","4","1","","Jin, Feng; Wang, Hui-Zhen; Zhang, Ying; Wang, Yang; Zhang, Jun; Kong, Lin; Hao, Fu-Ying; Yang, Jia-Xiang; Wu, Jie-Ying; Tian, Yu-Peng; Zhou, Hong-Ping","Metal cation- and anion-induced assembly: structures and luminescent properties","CrystEngComm","2013","15","18","3687","","10.1039/c3ce26685k","","","0.71069","MoKα","","0.0334","0.0264","","","0.065","0.0681","","","","","","1.032","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210688","17.794","0.005","18.67","0.005","14.665","0.005","90","0.005","96.751","0.005","90","0.005","4838","3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 Br2 Hg N4 -","- C25 H18 Br2 Hg N4 -","- C200 H144 Br16 Hg8 N32 -","8","2","","Jin, Feng; Wang, Hui-Zhen; Zhang, Ying; Wang, Yang; Zhang, Jun; Kong, Lin; Hao, Fu-Ying; Yang, Jia-Xiang; Wu, Jie-Ying; Tian, Yu-Peng; Zhou, Hong-Ping","Metal cation- and anion-induced assembly: structures and luminescent properties","CrystEngComm","2013","15","18","3687","","10.1039/c3ce26685k","","","0.71069","MoKα","","0.1023","0.0424","","","0.0793","0.1065","","","","","","0.991","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210689","13.334","0.005","26.776","0.005","7.767","0.005","90","0.005","100.081","0.005","90","0.005","2730","2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 Hg I2 N4 -","- C25 H18 Hg I2 N4 -","- C100 H72 Hg4 I8 N16 -","4","1","","Jin, Feng; Wang, Hui-Zhen; Zhang, Ying; Wang, Yang; Zhang, Jun; Kong, Lin; Hao, Fu-Ying; Yang, Jia-Xiang; Wu, Jie-Ying; Tian, Yu-Peng; Zhou, Hong-Ping","Metal cation- and anion-induced assembly: structures and luminescent properties","CrystEngComm","2013","15","18","3687","","10.1039/c3ce26685k","","","0.71069","MoKα","","0.0494","0.0452","","","0.1415","0.1454","","","","","","1.075","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210690","12.194","0.005","12.533","0.005","15.864","0.005","86.325","0.005","71.489","0.005","87.781","0.005","2293.9","1.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H40 Co N10 O S2 -","- C53 H40 Co N10 O S2 -","- C106 H80 Co2 N20 O2 S4 -","2","1","","Jin, Feng; Wang, Hui-Zhen; Zhang, Ying; Wang, Yang; Zhang, Jun; Kong, Lin; Hao, Fu-Ying; Yang, Jia-Xiang; Wu, Jie-Ying; Tian, Yu-Peng; Zhou, Hong-Ping","Metal cation- and anion-induced assembly: structures and luminescent properties","CrystEngComm","2013","15","18","3687","","10.1039/c3ce26685k","","","0.71069","MoKα","","0.0487","0.0392","","","0.1297","0.1442","","","","","","1.087","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210691","8.2456","0.0018","8.2456","0.0018","33.852","0.011","90","","90","","90","","2301.6","1","296","2","296","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C22 H14 Cd N2 O8 S2 -","- C22 H14 Cd N2 O8 S2 -","- C88 H56 Cd4 N8 O32 S8 -","4","0.5","","Li, Zhao-Hao; Xue, Li-Ping; Li, Shi-Hui; Wang, Jian-Ge; Zhao, Bang-Tun; Kan, Jian; Su, Wei-Ping","Bis(pyridyl) ancillary ligands modulated uninodal 4-, 5- and 6-connected Cd(ii) coordination polymers based on 3,4-thiophenedicarboxylate linker","CrystEngComm","2013","15","14","2745","","10.1039/c3ce26686a","","","0.71073","MoKα","","0.0176","0.0176","","","0.0471","0.0471","","","","","","1.077","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210692","19.1466","0.0019","16.2759","0.0016","13.1959","0.0013","90","","95.905","0.001","90","","4090.4","0.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 Cd N2 O7 S -","- C18 H18 Cd N2 O7 S -","- C144 H144 Cd8 N16 O56 S8 -","8","1","","Li, Zhao-Hao; Xue, Li-Ping; Li, Shi-Hui; Wang, Jian-Ge; Zhao, Bang-Tun; Kan, Jian; Su, Wei-Ping","Bis(pyridyl) ancillary ligands modulated uninodal 4-, 5- and 6-connected Cd(ii) coordination polymers based on 3,4-thiophenedicarboxylate linker","CrystEngComm","2013","15","14","2745","","10.1039/c3ce26686a","","","0.71073","MoKα","","0.0411","0.0271","","","0.0546","0.0593","","","","","","1.024","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210693","13.6833","0.0019","10.995","0.0016","16.252","0.002","90","","92.354","0.002","90","","2443","0.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H46 Cd2 N6 O8 S2 -","- C51 H46 Cd2 N6 O8 S2 -","- C102 H92 Cd4 N12 O16 S4 -","2","0.5","","Li, Zhao-Hao; Xue, Li-Ping; Li, Shi-Hui; Wang, Jian-Ge; Zhao, Bang-Tun; Kan, Jian; Su, Wei-Ping","Bis(pyridyl) ancillary ligands modulated uninodal 4-, 5- and 6-connected Cd(ii) coordination polymers based on 3,4-thiophenedicarboxylate linker","CrystEngComm","2013","15","14","2745","","10.1039/c3ce26686a","","","0.71073","MoKα","","0.1367","0.0588","","","0.1292","0.1949","","","","","","1.027","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210694","9.2965","0.0012","8.9901","0.0012","16.812","0.002","90","","96.943","0.01","90","","1394.8","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H26 N2 O10 -","- C34 H26 N2 O10 -","- C68 H52 N4 O20 -","2","1","","Jana, Poulami; Maity, Suman Kumar; Bera, Santu; Ghorai, Pradip Kumar; Haldar, Debasish","Hierarchical self-assembly of naphthalene bisimides to fluorescent microspheres and fluoride sensing","CrystEngComm","2013","15","13","2512","","10.1039/c3ce26700h","","","1.54178","CuKα","","0.0359","0.0319","","","0.0782","0.0807","","","","","","1.049","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210695","22.128","0.013","28.524","0.016","29.033","0.018","90","","90","","90","","18325","19","293","2","293","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C24 H12 N3 O7 Y -","- C24 H12 N3 O7 Y -","- C768 H384 N96 O224 Y32 -","32","1","","Zhang, Huabin; Lin, Ping; Zou, Guodong; Shan, Xiaochen; Du, Fenglei; Du, Shaowu","An unusual highly connected 3D net with hydrophilic pore surface","CrystEngComm","2013","15","15","3016","","10.1039/c3ce26788a","","","0.71073","MoKα","","0.1045","0.087","","","0.2005","0.2113","","","","","","1.033","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210696","10.4354","0.0011","11.5091","0.0012","12.1928","0.0012","80.05","0.001","70.954","0.001","73.524","0.001","1322.2","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H26 O17 Zn3 -","- C24 H22 O17 Zn3 -","- C48 H44 O34 Zn6 -","2","1","","He, Xiang; Lu, Xiao-Peng; Ju, Zhan-Feng; Li, Chun-Ju; Zhang, Qi-Kai; Li, Ming-Xing","Syntheses, structures, and photoluminescent properties of ten metal‒organic frameworks constructed by a flexible tetracarboxylate ligand","CrystEngComm","2013","15","14","2731","","10.1039/c3ce26864k","","","0.71073","MoKα","","0.0521","0.0451","","","0.1052","0.1122","","","","","","1.013","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210697","9.3898","0.0007","19.8601","0.0014","17.9499","0.0011","90","","110.534","0.003","90","","3134.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H66 N8 O16 Zn2 -","- C56 H54 N8 O16 Zn2 -","- C112 H108 N16 O32 Zn4 -","2","0.5","","He, Xiang; Lu, Xiao-Peng; Ju, Zhan-Feng; Li, Chun-Ju; Zhang, Qi-Kai; Li, Ming-Xing","Syntheses, structures, and photoluminescent properties of ten metal‒organic frameworks constructed by a flexible tetracarboxylate ligand","CrystEngComm","2013","15","14","2731","","10.1039/c3ce26864k","","","0.71073","MoKα","","0.0933","0.0733","","","0.2195","0.2376","","","","","","1.072","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210698","7.7","0.004","7.867","0.004","19.442","0.009","85.133","0.006","88.43","0.006","88.495","0.006","1172.7","1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H22 O13 Zn -","- C24 H20 O13 Zn -","- C48 H40 O26 Zn2 -","2","1","","He, Xiang; Lu, Xiao-Peng; Ju, Zhan-Feng; Li, Chun-Ju; Zhang, Qi-Kai; Li, Ming-Xing","Syntheses, structures, and photoluminescent properties of ten metal‒organic frameworks constructed by a flexible tetracarboxylate ligand","CrystEngComm","2013","15","14","2731","","10.1039/c3ce26864k","","","0.71073","MoKα","","0.1289","0.0907","","","0.2414","0.289","","","","","","0.984","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210699","20.334","0.002","15.2784","0.0016","8.0062","0.0009","90","","105.844","0.001","90","","2392.8","0.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H22 O14 Zn2 -","- C24 H14 O14 Zn2 -","- C96 H56 O56 Zn8 -","4","0.5","","He, Xiang; Lu, Xiao-Peng; Ju, Zhan-Feng; Li, Chun-Ju; Zhang, Qi-Kai; Li, Ming-Xing","Syntheses, structures, and photoluminescent properties of ten metal‒organic frameworks constructed by a flexible tetracarboxylate ligand","CrystEngComm","2013","15","14","2731","","10.1039/c3ce26864k","","","0.71073","MoKα","","0.0658","0.0404","","","0.1087","0.1287","","","","","","0.899","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210700","8.7504","0.001","10.7138","0.0012","21.673","0.002","93.144","0.002","100.882","0.002","112.205","0.002","1829.5","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H60 Co2 N2 O32 -","- C76 H60 Co2 N2 O32 -","- C76 H60 Co2 N2 O32 -","1","0.5","","He, Xiang; Lu, Xiao-Peng; Ju, Zhan-Feng; Li, Chun-Ju; Zhang, Qi-Kai; Li, Ming-Xing","Syntheses, structures, and photoluminescent properties of ten metal‒organic frameworks constructed by a flexible tetracarboxylate ligand","CrystEngComm","2013","15","14","2731","","10.1039/c3ce26864k","","","0.71073","MoKα","","0.09","0.0594","","","0.1578","0.1807","","","","","","0.873","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210701","8.815","0.004","15.386","0.007","16.055","0.008","104.527","0.006","92.798","0.006","101.187","0.006","2056.9","1.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C92 H66 N4 O30 Zn2 -","- C92 H66 N4 O30 Zn2 -","- C92 H66 N4 O30 Zn2 -","1","0.5","","He, Xiang; Lu, Xiao-Peng; Ju, Zhan-Feng; Li, Chun-Ju; Zhang, Qi-Kai; Li, Ming-Xing","Syntheses, structures, and photoluminescent properties of ten metal‒organic frameworks constructed by a flexible tetracarboxylate ligand","CrystEngComm","2013","15","14","2731","","10.1039/c3ce26864k","","","0.71073","MoKα","","0.104","0.0609","","","0.129","0.153","","","","","","1","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210702","8.792","0.009","15.468","0.016","15.983","0.017","104.543","0.016","93.056","0.014","101.711","0.014","2048","4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H66 N4 O30 Zn2 -","- C96 H66 N4 O30 Zn2 -","- C96 H66 N4 O30 Zn2 -","1","0.5","","He, Xiang; Lu, Xiao-Peng; Ju, Zhan-Feng; Li, Chun-Ju; Zhang, Qi-Kai; Li, Ming-Xing","Syntheses, structures, and photoluminescent properties of ten metal‒organic frameworks constructed by a flexible tetracarboxylate ligand","CrystEngComm","2013","15","14","2731","","10.1039/c3ce26864k","","","0.71073","MoKα","","0.0961","0.0582","","","0.1419","0.1694","","","","","","0.875","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210703","7.9598","0.0006","15.1435","0.0012","17.0375","0.0014","90","","99.431","0.001","90","","2025.9","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H38 N4 O14 Zn2 -","- C44 H30 N4 O14 Zn2 -","- C88 H60 N8 O28 Zn4 -","2","0.5","","He, Xiang; Lu, Xiao-Peng; Ju, Zhan-Feng; Li, Chun-Ju; Zhang, Qi-Kai; Li, Ming-Xing","Syntheses, structures, and photoluminescent properties of ten metal‒organic frameworks constructed by a flexible tetracarboxylate ligand","CrystEngComm","2013","15","14","2731","","10.1039/c3ce26864k","","","0.71073","MoKα","","0.0603","0.0426","","","0.1271","0.1458","","","","","","0.976","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210704","8.695","0.005","16.594","0.009","17.034","0.009","90","","100.459","0.007","90","","2417","2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H46 N4 O14 Zn2 -","- C48 H38 N4 O14 Zn2 -","- C96 H76 N8 O28 Zn4 -","2","0.5","","He, Xiang; Lu, Xiao-Peng; Ju, Zhan-Feng; Li, Chun-Ju; Zhang, Qi-Kai; Li, Ming-Xing","Syntheses, structures, and photoluminescent properties of ten metal‒organic frameworks constructed by a flexible tetracarboxylate ligand","CrystEngComm","2013","15","14","2731","","10.1039/c3ce26864k","","","0.71073","MoKα","","0.1589","0.0737","","","0.196","0.2383","","","","","","1.092","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210705","8.158","0.002","17.418","0.004","17.558","0.004","90","","98.28","0.003","90","","2468.9","1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H38 N8 O14 Zn2 -","- C44 H30 N8 O14 Zn2 -","- C88 H60 N16 O28 Zn4 -","2","0.5","","He, Xiang; Lu, Xiao-Peng; Ju, Zhan-Feng; Li, Chun-Ju; Zhang, Qi-Kai; Li, Ming-Xing","Syntheses, structures, and photoluminescent properties of ten metal‒organic frameworks constructed by a flexible tetracarboxylate ligand","CrystEngComm","2013","15","14","2731","","10.1039/c3ce26864k","","","0.71073","MoKα","","0.1269","0.0843","","","0.2361","0.2671","","","","","","1.085","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210706","8.642","0.013","10.856","0.016","21.62","0.03","93.143","0.016","100.055","0.019","111.373","0.019","1844","5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H60 N2 O32 Zn2 -","- C76 H50 N2 O32 Zn2 -","- C76 H50 N2 O32 Zn2 -","1","0.5","","He, Xiang; Lu, Xiao-Peng; Ju, Zhan-Feng; Li, Chun-Ju; Zhang, Qi-Kai; Li, Ming-Xing","Syntheses, structures, and photoluminescent properties of ten metal‒organic frameworks constructed by a flexible tetracarboxylate ligand","CrystEngComm","2013","15","14","2731","","10.1039/c3ce26864k","","","0.71073","MoKα","","0.2484","0.154","","","0.3972","0.4435","","","","","","1.289","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210707","12.166","0.002","12.6128","0.0011","13.073","0.003","90","","116.86","0.008","90","","1789.6","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- H13 In3 Na O19 P5 -","- H13 In3 Na O19 P5 -","- H52 In12 Na4 O76 P20 -","4","1","","Wang, Xi-Jia; Zhang, Jian-Han; Song, Jun-Ling; Kong, Fang; Mao, Jiang-Gao","Syntheses, crystal structures of a series of novel alkali metal or alkaline earth metal phosphites","CrystEngComm","2013","15","13","2519","","10.1039/c3ce26885c","","","0.71073","MoKα","","0.0447","0.0378","","","0.0682","0.0714","","","","","","0.992","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210708","5.477","0.0003","5.477","0.0003","13.0083","0.0012","90","","90","","120","","337.94","0.04","293","2","293","2","","","","","","","","5","P 63 m c","P 6c -2c","186","","","","- H2 In O6 P2 Rb -","- In O6 P2 Rb -","- In2 O12 P4 Rb2 -","2","0.166667","","Wang, Xi-Jia; Zhang, Jian-Han; Song, Jun-Ling; Kong, Fang; Mao, Jiang-Gao","Syntheses, crystal structures of a series of novel alkali metal or alkaline earth metal phosphites","CrystEngComm","2013","15","13","2519","","10.1039/c3ce26885c","","","0.71073","MoKα","","0.0304","0.0304","","","0.0736","0.0736","","","","","","1.023","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210709","5.494","0.003","5.494","0.003","19.823","0.014","90","","90","","120","","518.2","0.5","293","2","293","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- Cs H2 In O6 P2 -","- Cs In O6 P2 -","- Cs3 In3 O18 P6 -","3","0.0833333","","Wang, Xi-Jia; Zhang, Jian-Han; Song, Jun-Ling; Kong, Fang; Mao, Jiang-Gao","Syntheses, crystal structures of a series of novel alkali metal or alkaline earth metal phosphites","CrystEngComm","2013","15","13","2519","","10.1039/c3ce26885c","","","0.71073","MoKα","","0.0413","0.0413","","","0.0798","0.0798","","","","","","1.002","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210710","15.6227","0.0005","15.6227","0.0005","12.4684","0.0006","90","","90","","120","","2635.44","0.17","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- Al2 Ba3 H6 O18 P6 -","- Al2 Ba3 H6 O18 P6 -","- Al12 Ba18 H36 O108 P36 -","6","0.333333","","Wang, Xi-Jia; Zhang, Jian-Han; Song, Jun-Ling; Kong, Fang; Mao, Jiang-Gao","Syntheses, crystal structures of a series of novel alkali metal or alkaline earth metal phosphites","CrystEngComm","2013","15","13","2519","","10.1039/c3ce26885c","","","0.71073","MoKα","","0.0256","0.0234","","","0.0579","0.0591","","","","","","1.081","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210711","15.7158","0.0015","15.7158","0.0015","12.679","0.004","90","","90","","120","","2712","0.9","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- Ba3 Ga2 H6 O18 P6 -","- Ba3 Ga2 H6 O18 P6 -","- Ba18 Ga12 H36 O108 P36 -","6","0.333333","","Wang, Xi-Jia; Zhang, Jian-Han; Song, Jun-Ling; Kong, Fang; Mao, Jiang-Gao","Syntheses, crystal structures of a series of novel alkali metal or alkaline earth metal phosphites","CrystEngComm","2013","15","13","2519","","10.1039/c3ce26885c","","","0.71073","MoKα","","0.0607","0.0442","","","0.073","0.0784","","","","","","1.083","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210712","15.932","0.008","15.932","0.008","13.327","0.014","90","","90","","120","","2930","4","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- Ba3 H6 In2 O18 P6 -","- Ba3 H6 In2 O18 P6 -","- Ba18 H36 In12 O108 P36 -","6","0.333333","","Wang, Xi-Jia; Zhang, Jian-Han; Song, Jun-Ling; Kong, Fang; Mao, Jiang-Gao","Syntheses, crystal structures of a series of novel alkali metal or alkaline earth metal phosphites","CrystEngComm","2013","15","13","2519","","10.1039/c3ce26885c","","","0.71073","MoKα","","0.0252","0.0222","","","0.0434","0.0445","","","","","","1.084","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210713","10.6675","0.0005","21.4119","0.0009","24.6267","0.0014","90","","90","","90","","5625","0.5","173","2","173","2","","","","","","","","7","P b c m","-P 2c 2b","57","","","","- C41 H54 Ag3 Cl7 N2 O13 S8 -","- C41 H54 Ag3 Cl7 N2 O13 S8 -","- C164 H216 Ag12 Cl28 N8 O52 S32 -","4","0.5","","Lee, Eunji; Lee, Shim Sung","Unusual endo/exocyclic silver(i) coordination polymers of an NS4-macrocycle exhibiting solvent-induced single-crystal to single-crystal transformation","CrystEngComm","2013","15","9","1814","","10.1039/c3ce26900k","","","0.71073","MoKα","","0.0808","0.045","","","0.0987","0.1162","","","","","","1.031","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210714","8.8495","0.0014","12.1336","0.0019","12.559","0.002","80.603","0.007","89.677","0.007","81.09","0.007","1314.1","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H53 Ag3 Cl3 N3 O13 S8 -","- C41 H53 Ag3 Cl3 N3 O13 S8 -","- C41 H53 Ag3 Cl3 N3 O13 S8 -","1","0.5","","Lee, Eunji; Lee, Shim Sung","Unusual endo/exocyclic silver(i) coordination polymers of an NS4-macrocycle exhibiting solvent-induced single-crystal to single-crystal transformation","CrystEngComm","2013","15","9","1814","","10.1039/c3ce26900k","","","0.71073","MoKα","","0.0714","0.0708","","","0.1968","0.1971","","","","","","1.087","","","","has coordinates,has disorder","180438","2020-10-21","18:00:00",""
"7210715","11.9158","0.0003","14.3094","0.0004","18.5432","0.0005","90","","94.685","0.001","90","","3151.2","0.15","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H32 N4 Ni O8 -","- C31 H32 N4 Ni O8 -","- C124 H128 N16 Ni4 O32 -","4","1","","Liao, Yu-Hung; Hsu, Wayne; Yang, Chun-Chuen; Wu, Can-Yu; Chen, Jhy-Der; Wang, Ju-Chun","Structural diversity of Ni(ii) coordination polymers containing dipyridyl amide and angular dicarboxylate ligands: synthesis, structures and magnetism","CrystEngComm","2013","15","19","3974","","10.1039/c3ce26928k","","","0.71073","MoKα","","0.1526","0.0555","","","0.09","0.1125","","","","","","1.005","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210716","12.4702","0.0002","22.7872","0.0004","11.0779","0.0002","90","","90","","90","","3147.91","0.09","273","2","273","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C30 H28 N4 Ni O8 -","- C30 H28 N4 Ni O8 -","- C120 H112 N16 Ni4 O32 -","4","0.5","","Liao, Yu-Hung; Hsu, Wayne; Yang, Chun-Chuen; Wu, Can-Yu; Chen, Jhy-Der; Wang, Ju-Chun","Structural diversity of Ni(ii) coordination polymers containing dipyridyl amide and angular dicarboxylate ligands: synthesis, structures and magnetism","CrystEngComm","2013","15","19","3974","","10.1039/c3ce26928k","","","0.71073","MoKα","","0.0736","0.042","","","0.1109","0.1285","","","","","","1.072","","","","has coordinates,has disorder","180438","2020-10-21","18:00:00",""
"7210717","24.5212","0.0018","11.1701","0.0008","12.2369","0.0008","90","","90","","90","","3351.7","0.4","100","2","100","2","","","","","","","","6","I m a 2","I 2 -2a","46","","","","- C30 H30 N4 Ni O10 S -","- C30 H26 N4 Ni O10 S -","- C120 H104 N16 Ni4 O40 S4 -","4","0.5","","Liao, Yu-Hung; Hsu, Wayne; Yang, Chun-Chuen; Wu, Can-Yu; Chen, Jhy-Der; Wang, Ju-Chun","Structural diversity of Ni(ii) coordination polymers containing dipyridyl amide and angular dicarboxylate ligands: synthesis, structures and magnetism","CrystEngComm","2013","15","19","3974","","10.1039/c3ce26928k","","","0.71073","MoKα","","0.0683","0.0622","","","0.1706","0.176","","","","","","1.091","","","","has coordinates,has disorder","180438","2020-10-21","18:00:00",""
"7210718","21.5324","0.0003","12.8686","0.0002","20.5775","0.0003","90","","93.497","0.001","90","","5691.24","0.15","297","2","297","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H50 N4 Ni2 O20 S2 -","- C46 H46 N4 Ni2 O20 S2 -","- C184 H184 N16 Ni8 O80 S8 -","4","0.5","","Liao, Yu-Hung; Hsu, Wayne; Yang, Chun-Chuen; Wu, Can-Yu; Chen, Jhy-Der; Wang, Ju-Chun","Structural diversity of Ni(ii) coordination polymers containing dipyridyl amide and angular dicarboxylate ligands: synthesis, structures and magnetism","CrystEngComm","2013","15","19","3974","","10.1039/c3ce26928k","","","0.71073","MoKα","","0.099","0.0567","","","0.1515","0.1736","","","","","","1.052","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210719","9.8199","0.0008","17.4052","0.0012","8.6142","0.0006","90","","105.229","0.008","90","","1420.61","0.19","446","2","446","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Tetrahydrated diketopiperazinediacetato dicobalt hexahydrates","","","- C16 H40 Co2 N4 O20 -","- C16 H40 Co2 N4 O20 -","- C32 H80 Co4 N8 O40 -","2","0.5","","Yang, Yu-Chen; Jiang, Xue; Zhou, Zhao-Hui","Conversions between dimeric and polymeric ketopiperazinediacetato complexes constructed by water-layers","CrystEngComm","2013","15","39","7999","","10.1039/c3ce26999j","","","0.71073","MoKα","","0.1161","0.0702","","","0.1066","0.1228","","","","","","1.028","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210720","9.726","0.004","17.322","0.005","8.608","0.003","90","","105.16","0.04","90","","1399.8","0.9","446","2","446","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Tetrahydrated diketopiperazinediacetato dicobalt hexahydrates","","","- C16 H40 N4 Ni2 O20 -","- C16 H40 N4 Ni2 O20 -","- C32 H80 N8 Ni4 O40 -","2","0.5","","Yang, Yu-Chen; Jiang, Xue; Zhou, Zhao-Hui","Conversions between dimeric and polymeric ketopiperazinediacetato complexes constructed by water-layers","CrystEngComm","2013","15","39","7999","","10.1039/c3ce26999j","","","0.71073","MoKα","","0.1805","0.0887","","","0.1031","0.1349","","","","","","0.963","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210721","9.793","0.0007","17.4391","0.0011","8.6138","0.0006","90","","105.169","0.007","90","","1419.82","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Tetrahydrated diketopiperazinediacetato dizinc hexahydrates","","","- C16 H40 N4 O20 Zn2 -","- C16 H40 N4 O20 Zn2 -","- C32 H80 N8 O40 Zn4 -","2","0.5","","Yang, Yu-Chen; Jiang, Xue; Zhou, Zhao-Hui","Conversions between dimeric and polymeric ketopiperazinediacetato complexes constructed by water-layers","CrystEngComm","2013","15","39","7999","","10.1039/c3ce26999j","","","0.71073","MoKα","","0.0961","0.0557","","","0.1196","0.1539","","","","","","0.885","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210722","20.3827","0.0016","6.2408","0.0004","20.2968","0.0017","90","","105.286","0.008","90","","2490.5","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Hexahydrated diketopiperazinediacetato dicobalt hydrate","","","- C16 H34 Co2 N4 O17 -","- C16 H34 Co2 N4 O17 -","- C64 H136 Co8 N16 O68 -","4","0.5","","Yang, Yu-Chen; Jiang, Xue; Zhou, Zhao-Hui","Conversions between dimeric and polymeric ketopiperazinediacetato complexes constructed by water-layers","CrystEngComm","2013","15","39","7999","","10.1039/c3ce26999j","","","0.71073","MoKα","","0.1077","0.0673","","","0.1142","0.1299","","","","","","1.029","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210723","20.2101","0.0014","6.2209","0.0005","20.2424","0.0015","90","","104.9","0.008","90","","2459.4","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Hexahydrated diketopiperazinediacetato dinickel hydrate","","","- C16 H34 N4 Ni2 O17 -","- C16 H34 N4 Ni2 O17 -","- C64 H136 N16 Ni8 O68 -","4","0.5","","Yang, Yu-Chen; Jiang, Xue; Zhou, Zhao-Hui","Conversions between dimeric and polymeric ketopiperazinediacetato complexes constructed by water-layers","CrystEngComm","2013","15","39","7999","","10.1039/c3ce26999j","","","0.71073","MoKα","","0.0874","0.0583","","","0.1216","0.1393","","","","","","1.069","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210724","20.3516","0.0013","6.2589","0.0004","20.3214","0.0013","90","","105.162","0.007","90","","2498.4","0.3","446","2","446","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Hexahydrated diketopiperazinediacetato dinickel hydrate","","","- C16 H34 N4 O17 Zn2 -","- C16 H34 N4 O17 Zn2 -","- C64 H136 N16 O68 Zn8 -","4","0.5","","Yang, Yu-Chen; Jiang, Xue; Zhou, Zhao-Hui","Conversions between dimeric and polymeric ketopiperazinediacetato complexes constructed by water-layers","CrystEngComm","2013","15","39","7999","","10.1039/c3ce26999j","","","0.71073","MoKα","","0.1115","0.0709","","","0.0968","0.1092","","","","","","1.065","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210725","21.501","0.004","26.51","0.008","30.067","0.006","90","","90","","90","","17138","7","123","2","123","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C23 H10 Cd N5 O9 -","- C23 H10 Cd N5 O9 -","- C552 H240 Cd24 N120 O216 -","24","1.5","","Wang, Xiao-Feng; Zhang, Yue-Biao; Lin, Yan-Yong","Achiral diamondoid or chiral quartz net: the effect of substituents in the topology and catenation of coordination polymers based on tetrahedral Cd(COO)4 building units","CrystEngComm","2013","15","17","3470","","10.1039/c3ce27103j","","","0.71073","MoKα","","0.0926","0.0694","","","0.1703","0.1854","","","","","","1.089","","","","has coordinates,has disorder","180438","2020-10-21","18:00:00",""
"7210726","15.1245","0.0009","15.1245","0.0009","12.6105","0.0014","90","","90","","120","","2498.2","0.3","273","2","273","2","","","","","","","","6","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C16 H4 Br Cd N0 O8 -","- C16 H4 Br Cd O8 -","- C48 H12 Br3 Cd3 O24 -","3","0.25","","Wang, Xiao-Feng; Zhang, Yue-Biao; Lin, Yan-Yong","Achiral diamondoid or chiral quartz net: the effect of substituents in the topology and catenation of coordination polymers based on tetrahedral Cd(COO)4 building units","CrystEngComm","2013","15","17","3470","","10.1039/c3ce27103j","","","0.71073","MoKα","","0.0814","0.0751","","","0.2214","0.2304","","","","","","1.079","","","","has coordinates,has disorder","180438","2020-10-21","18:00:00",""
"7210727","14.6756","0.0007","14.6756","0.0007","12.8469","0.0011","90","","90","","120","","2396.2","0.3","293","2","293","2","","","","","","","","5","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C16 H6 Cd N2 O12 -","- C16 H6 Cd N2 O12 -","- C48 H18 Cd3 N6 O36 -","3","0.25","","Wang, Xiao-Feng; Zhang, Yue-Biao; Lin, Yan-Yong","Achiral diamondoid or chiral quartz net: the effect of substituents in the topology and catenation of coordination polymers based on tetrahedral Cd(COO)4 building units","CrystEngComm","2013","15","17","3470","","10.1039/c3ce27103j","","","0.71073","MoKα","","0.0782","0.0655","","","0.1752","0.1843","","","","","","1.066","","","","has coordinates,has disorder","180438","2020-10-21","18:00:00",""
"7210728","7.4706","0.0018","10.994","0.002","16.357","0.004","71.743","0.007","86.791","0.007","76.869","0.007","1242.3","0.5","","","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H16 Cd N2 O10 S -","- C28 H16 Cd N2 O10 S -","- C56 H32 Cd2 N4 O20 S2 -","2","1","","Zhang, Shu-Quan; Jiang, Fei-Long; Wu, Ming-Yan; Chen, Lian; Luo, Jun-Hua; Hong, Mao-Chun","pH modulated assembly in the mixed-ligand system Cd(ii)‒dpstc‒phen: structural diversity and luminescent properties","CrystEngComm","2013","15","19","3992","","10.1039/c3ce27108k","","","0.71073","MoKα","","0.0261","0.0229","","","0.0526","0.0544","","","","","","1.051","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210729","10.905","0.005","13.194","0.007","14.97","0.008","110.429","0.007","95.307","0.006","91.644","0.006","2005.5","1.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H31 Cd2 N4 O14.5 S -","- C40 H31 Cd2 N4 O14.5 S -","- C80 H62 Cd4 N8 O29 S2 -","2","1","","Zhang, Shu-Quan; Jiang, Fei-Long; Wu, Ming-Yan; Chen, Lian; Luo, Jun-Hua; Hong, Mao-Chun","pH modulated assembly in the mixed-ligand system Cd(ii)‒dpstc‒phen: structural diversity and luminescent properties","CrystEngComm","2013","15","19","3992","","10.1039/c3ce27108k","","","0.71073","MoKα","","0.0699","0.0523","","","0.1345","0.1464","","","","","","1.084","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210730","11.8489","0.0007","16.7123","0.0006","18.8636","0.0011","90","","105.17","0.004","90","","3605.2","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H24 Cd2 N4 O11 S -","- C40 H24 Cd2 N4 O11 S -","- C160 H96 Cd8 N16 O44 S4 -","4","1","","Zhang, Shu-Quan; Jiang, Fei-Long; Wu, Ming-Yan; Chen, Lian; Luo, Jun-Hua; Hong, Mao-Chun","pH modulated assembly in the mixed-ligand system Cd(ii)‒dpstc‒phen: structural diversity and luminescent properties","CrystEngComm","2013","15","19","3992","","10.1039/c3ce27108k","","","0.71073","MoKα","","0.0519","0.0394","","","0.0888","0.0973","","","","","","1.077","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210731","9.885","0.003","14.331","0.004","21.418","0.007","85.964","0.005","89.432","0.006","86.079","0.006","3019.5","1.6","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H54 Cd2 N8 O18 S -","- C64 H54 Cd2 N8 O18 S -","- C128 H108 Cd4 N16 O36 S2 -","2","1","","Zhang, Shu-Quan; Jiang, Fei-Long; Wu, Ming-Yan; Chen, Lian; Luo, Jun-Hua; Hong, Mao-Chun","pH modulated assembly in the mixed-ligand system Cd(ii)‒dpstc‒phen: structural diversity and luminescent properties","CrystEngComm","2013","15","19","3992","","10.1039/c3ce27108k","","","0.71073","MoKα","","0.0599","0.0474","","","0.1284","0.1438","","","","","","1.04","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210732","13.9963","0.001","28.938","0.002","27.5474","0.0019","90","","92.911","0.001","90","","11143","1.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C120 H100 Mn4 N20 O137 P4 W36 -","- C120 H100 Mn4 N20 O134 P4 W36 -","- C240 H200 Mn8 N40 O268 P8 W72 -","2","0.5","","Yu, Kai; Yu, Yang; Jiang, Bo-Dong; Zhou, Bai-Bin","Assembly of organic‒inorganic hybrid supramolecular materials based on {P2W18O62}6− anion and Cu(ii)/Mn(ii) complex","CrystEngComm","2013","15","25","5156","","10.1039/c3ce40088c","","","0.71073","MoKα","","0.0683","0.0443","","","0.0947","0.1074","","","","","","1.045","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210733","13.9401","0.0009","23.1952","0.0015","14.6689","0.001","90","","108.094","0.001","90","","4508.5","0.5","293","2","293","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C46 H42 Mn2 N12 O63 P2 W18 -","- C46 H40 Mn2 N12 O63 P2 W18 -","- C92 H80 Mn4 N24 O126 P4 W36 -","2","0.5","","Yu, Kai; Yu, Yang; Jiang, Bo-Dong; Zhou, Bai-Bin","Assembly of organic‒inorganic hybrid supramolecular materials based on {P2W18O62}6− anion and Cu(ii)/Mn(ii) complex","CrystEngComm","2013","15","25","5156","","10.1039/c3ce40088c","","","0.71073","MoKα","","0.0584","0.0335","","","0.0628","0.0701","","","","","","1.018","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210734","13.9922","0.0008","22.7043","0.0012","14.7236","0.0008","90","","108.519","0.001","90","","4435.2","0.4","293","2","293","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C46 H44 Cu2 N12 O63 P2 W18 -","- C46 H44 Cu2 N12 O63 P2 W18 -","- C92 H88 Cu4 N24 O126 P4 W36 -","2","0.5","","Yu, Kai; Yu, Yang; Jiang, Bo-Dong; Zhou, Bai-Bin","Assembly of organic‒inorganic hybrid supramolecular materials based on {P2W18O62}6− anion and Cu(ii)/Mn(ii) complex","CrystEngComm","2013","15","25","5156","","10.1039/c3ce40088c","","","0.71073","MoKα","","0.0375","0.0266","","","0.0564","0.0599","","","","","","1.03","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210735","29.7818","0.0017","23.1391","0.0013","17.8019","0.001","90","","101.189","0.001","90","","12034.5","1.2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C168 H128 Mn6 N28 O135 P4 W36 -","- C168 H130 Mn6 N28 O135 P4 W36 -","- C336 H260 Mn12 N56 O270 P8 W72 -","2","0.5","","Yu, Kai; Yu, Yang; Jiang, Bo-Dong; Zhou, Bai-Bin","Assembly of organic‒inorganic hybrid supramolecular materials based on {P2W18O62}6− anion and Cu(ii)/Mn(ii) complex","CrystEngComm","2013","15","25","5156","","10.1039/c3ce40088c","","","0.71073","MoKα","","0.0394","0.0278","","","0.0556","0.0589","","","","","","1.04","","","","has coordinates,has disorder","180438","2020-10-21","18:00:00",""
"7210736","17.4716","0.0006","19.9622","0.0007","32.5448","0.0012","90","","97.927","0.001","90","","11242.2","0.7","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C74 H58 Cl2 Cu4 N13 O68 P2 W18 -","- C74 H58 Cl2 Cu4 N13 O68 P2 W18 -","- C296 H232 Cl8 Cu16 N52 O272 P8 W72 -","4","1","","Yu, Kai; Yu, Yang; Jiang, Bo-Dong; Zhou, Bai-Bin","Assembly of organic‒inorganic hybrid supramolecular materials based on {P2W18O62}6− anion and Cu(ii)/Mn(ii) complex","CrystEngComm","2013","15","25","5156","","10.1039/c3ce40088c","","","0.71073","MoKα","","0.0579","0.0405","","","0.084","0.0903","","","","","","1.062","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210737","14.8896","0.0016","13.1433","0.0015","22.255","0.002","90","","92.16","0.002","90","","4352.2","0.8","293","2","293","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C24 H42 Cu3 N16 O68 P2 W18 -","- C24 H42 Cu3 N16 O68 P2 W18 -","- C48 H84 Cu6 N32 O136 P4 W36 -","2","0.5","","Yu, Kai; Yu, Yang; Jiang, Bo-Dong; Zhou, Bai-Bin","Assembly of organic‒inorganic hybrid supramolecular materials based on {P2W18O62}6− anion and Cu(ii)/Mn(ii) complex","CrystEngComm","2013","15","25","5156","","10.1039/c3ce40088c","","","0.71073","MoKα","","0.0817","0.0506","","","0.087","0.093","","","","","","1.052","","","","has coordinates,has disorder","180438","2020-10-21","18:00:00",""
"7210738","7.2811","0.0001","7.4048","0.0001","9.7916","0.0001","92.74","0.001","95.62","0.001","91.154","0.001","524.613","0.011","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H8 Br N3 O -","- C11 H8 Br N3 O -","- C22 H16 Br2 N6 O2 -","2","1","","Khavasi, Hamid Reza; Tehrani, Alireza Azhdari","Effect of halogen bonding interaction on supramolecular assembly of halogen-substituted phenylpyrazinamides","CrystEngComm","2013","15","16","3222","","10.1039/c3ce40093j","","","0.71073","MoKα","","0.0263","0.0237","","","0.0608","0.0621","","","","","","1.048","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210739","7.2607","0.0001","7.3081","0.0001","9.6963","0.0001","95.14","0.001","91.75","0.001","90.494","0.001","512.163","0.011","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H8 Cl N3 O -","- C11 H8 Cl N3 O -","- C22 H16 Cl2 N6 O2 -","2","1","","Khavasi, Hamid Reza; Tehrani, Alireza Azhdari","Effect of halogen bonding interaction on supramolecular assembly of halogen-substituted phenylpyrazinamides","CrystEngComm","2013","15","16","3222","","10.1039/c3ce40093j","","","0.71073","MoKα","","0.0348","0.0307","","","0.0867","0.0903","","","","","","1.057","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210740","10.1568","0.0001","11.0027","0.0002","18.8432","0.0003","90","","91.4","0.001","90","","2105.14","0.05","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H8 Br N3 O -","- C11 H8 Br N3 O -","- C88 H64 Br8 N24 O8 -","8","2","","Khavasi, Hamid Reza; Tehrani, Alireza Azhdari","Effect of halogen bonding interaction on supramolecular assembly of halogen-substituted phenylpyrazinamides","CrystEngComm","2013","15","16","3222","","10.1039/c3ce40093j","","","0.71073","MoKα","","0.0789","0.0431","","","0.0975","0.1114","","","","","","1.02","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210741","4.8485","0.0005","13.4762","0.0012","16.8631","0.0018","90","","95.849","0.009","90","","1096.09","0.19","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H8 I N3 O -","- C11 H8 I N3 O -","- C44 H32 I4 N12 O4 -","4","1","","Khavasi, Hamid Reza; Tehrani, Alireza Azhdari","Effect of halogen bonding interaction on supramolecular assembly of halogen-substituted phenylpyrazinamides","CrystEngComm","2013","15","16","3222","","10.1039/c3ce40093j","","","0.71073","MoKα","","0.0835","0.0602","","","0.1477","0.1576","","","","","","0.979","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210742","4.3086","0.0003","12.7522","0.0006","19.6521","0.0011","90","","92.258","0.005","90","","1078.93","0.11","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H8 I N3 O -","- C11 H8 I N3 O -","- C44 H32 I4 N12 O4 -","4","1","","Khavasi, Hamid Reza; Tehrani, Alireza Azhdari","Effect of halogen bonding interaction on supramolecular assembly of halogen-substituted phenylpyrazinamides","CrystEngComm","2013","15","16","3222","","10.1039/c3ce40093j","","","0.71073","MoKα","","0.0623","0.048","","","0.1129","0.118","","","","","","1.044","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210743","5.9493","0.0005","7.6138","0.0008","12.9655","0.0012","79.339","0.008","85.153","0.008","69.377","0.007","540.05","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H8 I N3 O -","- C11 H8 I N3 O -","- C22 H16 I2 N6 O2 -","2","1","","Khavasi, Hamid Reza; Tehrani, Alireza Azhdari","Effect of halogen bonding interaction on supramolecular assembly of halogen-substituted phenylpyrazinamides","CrystEngComm","2013","15","16","3222","","10.1039/c3ce40093j","","","0.71073","MoKα","","0.1108","0.0643","","","0.1346","0.1512","","","","","","0.926","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210744","6.9967","0.0005","7.5829","0.0006","19.4101","0.0012","98.546","0.006","99.133","0.006","96.346","0.006","995.93","0.13","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H8 F N3 O -","- C11 H8 F N3 O -","- C44 H32 F4 N12 O4 -","4","2","","Khavasi, Hamid Reza; Tehrani, Alireza Azhdari","Effect of halogen bonding interaction on supramolecular assembly of halogen-substituted phenylpyrazinamides","CrystEngComm","2013","15","16","3222","","10.1039/c3ce40093j","","","0.71073","MoKα","","0.0863","0.0506","","","0.1146","0.1339","","","","","","1.042","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210745","3.851","0.0003","22.8635","0.0018","11.9533","0.0011","90","","92.229","0.007","90","","1051.66","0.15","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 Br N3 O -","- C11 H8 Br N3 O -","- C44 H32 Br4 N12 O4 -","4","1","","Khavasi, Hamid Reza; Tehrani, Alireza Azhdari","Effect of halogen bonding interaction on supramolecular assembly of halogen-substituted phenylpyrazinamides","CrystEngComm","2013","15","16","3222","","10.1039/c3ce40093j","","","0.71073","MoKα","","0.1195","0.057","","","0.1014","0.1166","","","","","","0.937","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210746","10.1207","0.0007","11.0228","0.0007","18.8469","0.0015","90","","90.255","0.006","90","","2102.5","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H8 Cl N3 O -","- C11 H8 Cl N3 O -","- C88 H64 Cl8 N24 O8 -","8","2","","Khavasi, Hamid Reza; Tehrani, Alireza Azhdari","Effect of halogen bonding interaction on supramolecular assembly of halogen-substituted phenylpyrazinamides","CrystEngComm","2013","15","16","3222","","10.1039/c3ce40093j","","","0.71073","MoKα","","0.0919","0.0817","","","0.1111","0.1411","","","","","","1.068","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210747","5.8921","0.0001","27.1491","0.0004","6.401","0.0002","90","","109.455","0.002","90","","965.47","0.04","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 F N3 O -","- C11 H8 F N3 O -","- C44 H32 F4 N12 O4 -","4","1","","Khavasi, Hamid Reza; Tehrani, Alireza Azhdari","Effect of halogen bonding interaction on supramolecular assembly of halogen-substituted phenylpyrazinamides","CrystEngComm","2013","15","16","3222","","10.1039/c3ce40093j","","","0.71073","MoKα","","0.1093","0.071","","","0.1209","0.1317","","","","","","0.992","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210748","11.7158","0.0011","3.8018","0.0004","10.9082","0.001","90","","100.377","0.007","90","","477.92","0.08","173","2","173","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C11 H8 F N3 O -","- C11 H8 F N3 O -","- C22 H16 F2 N6 O2 -","2","1","","Khavasi, Hamid Reza; Tehrani, Alireza Azhdari","Effect of halogen bonding interaction on supramolecular assembly of halogen-substituted phenylpyrazinamides","CrystEngComm","2013","15","16","3222","","10.1039/c3ce40093j","","","0.71073","MoKα","","0.0907","0.0584","","","0.0973","0.1052","","","","","","1.061","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210749","5.8575","0.0001","7.3767","0.0001","13.3668","0.0002","101.59","0.001","96.747","0.001","110.547","0.001","518.551","0.015","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H8 Br N3 O -","- C11 H8 Br N3 O -","- C22 H16 Br2 N6 O2 -","2","1","","Khavasi, Hamid Reza; Tehrani, Alireza Azhdari","Effect of halogen bonding interaction on supramolecular assembly of halogen-substituted phenylpyrazinamides","CrystEngComm","2013","15","16","3222","","10.1039/c3ce40093j","","","0.71073","MoKα","","0.0266","0.0235","","","0.059","0.06","","","","","","1.079","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210750","5.8668","0.0005","7.2831","0.0007","13.1604","0.001","101.762","0.007","96.668","0.006","110.602","0.006","504.37","0.08","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H8 Cl N3 O -","- C11 H8 Cl N3 O -","- C22 H16 Cl2 N6 O2 -","2","1","","Khavasi, Hamid Reza; Tehrani, Alireza Azhdari","Effect of halogen bonding interaction on supramolecular assembly of halogen-substituted phenylpyrazinamides","CrystEngComm","2013","15","16","3222","","10.1039/c3ce40093j","","","0.71073","MoKα","","0.1012","0.0617","","","0.1321","0.1458","","","","","","0.997","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210751","5.976","0.0004","23.928","0.002","13.3223","0.001","90","","93.047","0.006","90","","1902.3","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 F N3 O -","- C11 H8 F N3 O -","- C88 H64 F8 N24 O8 -","8","2","","Khavasi, Hamid Reza; Tehrani, Alireza Azhdari","Effect of halogen bonding interaction on supramolecular assembly of halogen-substituted phenylpyrazinamides","CrystEngComm","2013","15","16","3222","","10.1039/c3ce40093j","","","0.71073","MoKα","","0.0921","0.0751","","","0.0918","0.1112","","","","","","1.021","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210752","5.9838","0.0008","7.5827","0.0011","11.0466","0.0012","83.44","0.01","85.331","0.01","69.289","0.011","465.31","0.11","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H9 N3 O -","- C11 H9 N3 O -","- C22 H18 N6 O2 -","2","1","","Khavasi, Hamid Reza; Tehrani, Alireza Azhdari","Effect of halogen bonding interaction on supramolecular assembly of halogen-substituted phenylpyrazinamides","CrystEngComm","2013","15","16","3222","","10.1039/c3ce40093j","","","0.71073","MoKα","","0.0903","0.0382","","","0.0713","0.0804","","","","","","1.011","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210753","16.3306","0.0003","8.9356","0.0003","8.2884","0.0002","90","","90","","90","","1209.47","0.05","298","","298","","","","","","","","","7","I m a 2","I 2 -2a","46","","","","- C4 H8 Al Cu F5 N8 O -","- C4 H8 Al Cu F5 N8 O -","- C16 H32 Al4 Cu4 F20 N32 O4 -","4","0.5","","Cadiau, Amandine; Auguste, Sandy; Taulelle, Francis; Martineau, Charlotte; Adil, Karim","Hydrothermal synthesis, ab-initio structure determination and NMR study of the first mixed Cu‒Al fluorinated MOF","CrystEngComm","2013","15","17","3430","","10.1039/c3ce40099a","powder diffraction","","1.5418","CuKα","","","","","","","","","5.7535","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210754","9.4237","0.0004","7.8685","0.0004","19.5593","0.001","90","","90","","90","","1450.33","0.12","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H9 N O -","- C8 H9 N O -","- C64 H72 N8 O8 -","8","1","","Panini, Piyush; Chopra, Deepak","Quantitative insights into energy contributions of intermolecular interactions in fluorine and trifluoromethyl substituted isomeric N-phenylacetamides and N-methylbenzamides","CrystEngComm","2013","15","18","3711","","10.1039/c3ce40111a","","","0.71073","MoKα","","0.0457","0.039","","","0.1072","0.1122","","","","","","1.069","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7210755","10.5091","0.0002","9.4298","0.0002","15.1828","0.0005","90","","90","","90","","1504.6","0.07","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H8 F N O -","- C8 H8 F N O -","- C64 H64 F8 N8 O8 -","8","1","","Panini, Piyush; Chopra, Deepak","Quantitative insights into energy contributions of intermolecular interactions in fluorine and trifluoromethyl substituted isomeric N-phenylacetamides and N-methylbenzamides","CrystEngComm","2013","15","18","3711","","10.1039/c3ce40111a","","","0.71073","MoKα","","0.0453","0.0408","","","0.1103","0.1144","","","","","","1.034","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7210756","12.1758","0.0005","9.4952","0.0005","12.9071","0.0007","90","","90","","90","","1492.21","0.13","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H8 F N O -","- C8 H8 F N O -","- C64 H64 F8 N8 O8 -","8","1","","Panini, Piyush; Chopra, Deepak","Quantitative insights into energy contributions of intermolecular interactions in fluorine and trifluoromethyl substituted isomeric N-phenylacetamides and N-methylbenzamides","CrystEngComm","2013","15","18","3711","","10.1039/c3ce40111a","","","0.71073","MoKα","","0.0532","0.0381","","","0.091","0.0988","","","","","","1.08","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7210757","9.4117","0.0004","7.7523","0.0003","20.2204","0.0007","90","","90","","90","","1475.33","0.1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H8 F N O -","- C8 H8 F N O -","- C64 H64 F8 N8 O8 -","8","1","","Panini, Piyush; Chopra, Deepak","Quantitative insights into energy contributions of intermolecular interactions in fluorine and trifluoromethyl substituted isomeric N-phenylacetamides and N-methylbenzamides","CrystEngComm","2013","15","18","3711","","10.1039/c3ce40111a","","","0.71073","MoKα","","0.0421","0.0377","","","0.094","0.0968","","","","","","1.066","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7210758","4.7762","0.0001","13.3736","0.0003","13.9528","0.0003","90","","92.396","0.001","90","","890.46","0.03","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H8 F3 N O -","- C9 H8 F3 N O -","- C36 H32 F12 N4 O4 -","4","1","","Panini, Piyush; Chopra, Deepak","Quantitative insights into energy contributions of intermolecular interactions in fluorine and trifluoromethyl substituted isomeric N-phenylacetamides and N-methylbenzamides","CrystEngComm","2013","15","18","3711","","10.1039/c3ce40111a","","","0.71073","MoKα","","0.0421","0.0356","","","0.0868","0.0903","","","","","","1.057","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7210759","13.5119","0.0006","9.7785","0.0004","6.7775","0.0003","90","","99.459","0.003","90","","883.31","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 F3 N O -","- C9 H8 F3 N O -","- C36 H32 F12 N4 O4 -","4","1","","Panini, Piyush; Chopra, Deepak","Quantitative insights into energy contributions of intermolecular interactions in fluorine and trifluoromethyl substituted isomeric N-phenylacetamides and N-methylbenzamides","CrystEngComm","2013","15","18","3711","","10.1039/c3ce40111a","","","0.71073","MoKα","","0.0457","0.0394","","","0.0945","0.0992","","","","","","1.089","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7210760","9.6701","0.0005","9.2755","0.0004","19.8362","0.0011","90","","90","","90","","1779.21","0.16","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H8 F3 N O -","- C9 H8 F3 N O -","- C72 H64 F24 N8 O8 -","8","1","","Panini, Piyush; Chopra, Deepak","Quantitative insights into energy contributions of intermolecular interactions in fluorine and trifluoromethyl substituted isomeric N-phenylacetamides and N-methylbenzamides","CrystEngComm","2013","15","18","3711","","10.1039/c3ce40111a","","","0.71073","MoKα","","0.0477","0.0424","","","0.1163","0.1205","","","","","","1.068","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7210761","9.509","0.005","9.299","0.005","16.435","0.009","90","","90","","90","","1453.3","1.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H9 N O -","- C8 H9 N O -","- C64 H72 N8 O8 -","8","1","","Panini, Piyush; Chopra, Deepak","Quantitative insights into energy contributions of intermolecular interactions in fluorine and trifluoromethyl substituted isomeric N-phenylacetamides and N-methylbenzamides","CrystEngComm","2013","15","18","3711","","10.1039/c3ce40111a","","","0.71073","MoKα","","0.0702","0.0452","","","0.1125","0.1502","","","","","","1.109","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7210762","7.4896","0.001","9.7758","0.0013","10.3578","0.0013","88.856","0.006","85.667","0.006","75.912","0.007","733.45","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H8 F N O -","- C8 H8 F N O -","- C32 H32 F4 N4 O4 -","4","2","","Panini, Piyush; Chopra, Deepak","Quantitative insights into energy contributions of intermolecular interactions in fluorine and trifluoromethyl substituted isomeric N-phenylacetamides and N-methylbenzamides","CrystEngComm","2013","15","18","3711","","10.1039/c3ce40111a","","","0.71073","MoKα","","0.0544","0.0501","","","0.1562","0.16","","","","","","1.128","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7210763","9.783","0.0006","9.5402","0.0006","15.4045","0.0009","90","","90","","90","","1437.73","0.15","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H8 F N O -","- C8 H8 F N O -","- C64 H64 F8 N8 O8 -","8","1","","Panini, Piyush; Chopra, Deepak","Quantitative insights into energy contributions of intermolecular interactions in fluorine and trifluoromethyl substituted isomeric N-phenylacetamides and N-methylbenzamides","CrystEngComm","2013","15","18","3711","","10.1039/c3ce40111a","","","0.71073","MoKα","","0.0496","0.041","","","0.1248","0.1474","","","","","","1.127","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7210764","10.9014","0.0005","9.9282","0.0004","13.308","0.0006","90","","90","","90","","1440.34","0.11","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H8 F N O -","- C8 H8 F N O -","- C64 H64 F8 N8 O8 -","8","1","","Panini, Piyush; Chopra, Deepak","Quantitative insights into energy contributions of intermolecular interactions in fluorine and trifluoromethyl substituted isomeric N-phenylacetamides and N-methylbenzamides","CrystEngComm","2013","15","18","3711","","10.1039/c3ce40111a","","","0.71073","MoKα","","0.0433","0.0359","","","0.0924","0.0972","","","","","","1.087","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7210765","11.352","0.0003","8.9766","0.0003","8.9705","0.0003","90","","98.02","0.002","90","","905.17","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 F3 N O -","- C9 H8 F3 N O -","- C36 H32 F12 N4 O4 -","4","1","","Panini, Piyush; Chopra, Deepak","Quantitative insights into energy contributions of intermolecular interactions in fluorine and trifluoromethyl substituted isomeric N-phenylacetamides and N-methylbenzamides","CrystEngComm","2013","15","18","3711","","10.1039/c3ce40111a","","","0.71073","MoKα","","0.0435","0.0359","","","0.0901","0.0943","","","","","","1.061","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7210766","12.8863","0.0006","10.0799","0.0005","6.9999","0.0004","90","","103.892","0.003","90","","882.64","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 F3 N O -","- C9 H8 F3 N O -","- C36 H32 F12 N4 O4 -","4","1","","Panini, Piyush; Chopra, Deepak","Quantitative insights into energy contributions of intermolecular interactions in fluorine and trifluoromethyl substituted isomeric N-phenylacetamides and N-methylbenzamides","CrystEngComm","2013","15","18","3711","","10.1039/c3ce40111a","","","0.71073","MoKα","","0.0525","0.0481","","","0.134","0.1377","","","","","","1.135","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7210767","5.0567","0.0003","11.6521","0.0005","14.6968","0.0007","90","","91.565","0.003","90","","865.63","0.08","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H8 F3 N O -","- C9 H8 F3 N O -","- C36 H32 F12 N4 O4 -","4","1","","Panini, Piyush; Chopra, Deepak","Quantitative insights into energy contributions of intermolecular interactions in fluorine and trifluoromethyl substituted isomeric N-phenylacetamides and N-methylbenzamides","CrystEngComm","2013","15","18","3711","","10.1039/c3ce40111a","","","0.71073","MoKα","","0.0511","0.0406","","","0.1042","0.1105","","","","","","1.103","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7210768","17.1365","0.0014","17.9392","0.0015","18.5138","0.0015","104.378","0.003","102.328","0.003","110.919","0.003","4854.1","0.7","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H128 Cl10 La2 N28 O57 Zn2 -","- C42 H42 Cl10 La2 N28 O26 Zn2 -","- C84 H84 Cl20 La4 N56 O52 Zn4 -","2","1","","Liang, Li-Li; Zhao, Yi; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang; Liu, Jing-Xin","Coordination nanotubes self-assembled from cucurbit[7]uril and lanthanide cations","CrystEngComm","2013","15","19","3943","","10.1039/c3ce40147b","","","0.71073","MoKα","","0.0743","0.0512","","","0.1249","0.1342","","","","","","0.945","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210769","26.473","0.004","18.878","0.003","19.864","0.003","90","","104.752","0.004","90","","9600","3","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C21 H49 Cl5 N14 O21 Yb Zn -","- C21 H21 Cl5 N14 O12 Yb Zn -","- C168 H168 Cl40 N112 O96 Yb8 Zn8 -","8","1","","Liang, Li-Li; Zhao, Yi; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang; Liu, Jing-Xin","Coordination nanotubes self-assembled from cucurbit[7]uril and lanthanide cations","CrystEngComm","2013","15","19","3943","","10.1039/c3ce40147b","","","0.71073","MoKα","","0.0712","0.0598","","","0.1815","0.1948","","","","","","1.11","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210770","26.2356","0.0012","18.6413","0.0009","19.8143","0.0009","90","","105.573","0.002","90","","9334.7","0.8","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C21 H60 Cl5 Lu N14 O26.5 Zn -","- C21 H21 Cl5 Lu N14 O12 Zn -","- C168 H168 Cl40 Lu8 N112 O96 Zn8 -","8","1","","Liang, Li-Li; Zhao, Yi; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang; Liu, Jing-Xin","Coordination nanotubes self-assembled from cucurbit[7]uril and lanthanide cations","CrystEngComm","2013","15","19","3943","","10.1039/c3ce40147b","","","0.71073","MoKα","","0.0559","0.0462","","","0.1403","0.149","","","","","","1.091","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7210771","16.9138","0.0008","17.2483","0.0008","20.4015","0.0009","98.006","0.002","112.641","0.001","109.75","0.002","4915.2","0.4","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H116 Ce2 Cl10 N28 O51 Zn2 -","- C42 H42 Ce2 Cl10 N28 O26 Zn2 -","- C84 H84 Ce4 Cl20 N56 O52 Zn4 -","2","1","","Liang, Li-Li; Zhao, Yi; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang; Liu, Jing-Xin","Coordination nanotubes self-assembled from cucurbit[7]uril and lanthanide cations","CrystEngComm","2013","15","19","3943","","10.1039/c3ce40147b","","","0.71073","MoKα","","0.064","0.0567","","","0.1719","0.1796","","","","","","1.097","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210772","16.8979","0.0014","17.2593","0.0015","20.3082","0.0017","98.015","0.003","112.613","0.003","109.997","0.003","4880.8","0.8","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H124 Cl10 N28 O55 Pr2 Zn2 -","- C42 H42 Cl10 N28 O26 Pr2 Zn2 -","- C84 H84 Cl20 N56 O52 Pr4 Zn4 -","2","1","","Liang, Li-Li; Zhao, Yi; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang; Liu, Jing-Xin","Coordination nanotubes self-assembled from cucurbit[7]uril and lanthanide cations","CrystEngComm","2013","15","19","3943","","10.1039/c3ce40147b","","","0.71073","MoKα","","0.1","0.0892","","","0.2524","0.2679","","","","","","1.071","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210773","16.9105","0.001","17.314","0.001","20.3622","0.0018","98.271","0.002","112.638","0.003","109.941","0.002","4905.6","0.6","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H116 Cl10 N28 Nd2 O51 Zn2 -","- C42 H42 Cl10 N28 Nd2 O26 Zn2 -","- C84 H84 Cl20 N56 Nd4 O52 Zn4 -","2","1","","Liang, Li-Li; Zhao, Yi; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang; Liu, Jing-Xin","Coordination nanotubes self-assembled from cucurbit[7]uril and lanthanide cations","CrystEngComm","2013","15","19","3943","","10.1039/c3ce40147b","","","0.71073","MoKα","","0.074","0.0654","","","0.1968","0.2078","","","","","","1.106","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210774","26.2615","0.0014","18.7064","0.0011","20.178","0.0011","90","","105.513","0.002","90","","9551.5","0.9","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C21 H55 Cl5 N14 O24 Sm Zn -","- C21 H21 Cl5 N14 O12 Sm Zn -","- C168 H168 Cl40 N112 O96 Sm8 Zn8 -","8","1","","Liang, Li-Li; Zhao, Yi; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang; Liu, Jing-Xin","Coordination nanotubes self-assembled from cucurbit[7]uril and lanthanide cations","CrystEngComm","2013","15","19","3943","","10.1039/c3ce40147b","","","0.71073","MoKα","","0.0612","0.0527","","","0.1591","0.1647","","","","","","1.09","","","","has coordinates,has disorder","180438","2020-10-21","18:00:00",""
"7210775","26.6201","0.0019","18.9954","0.0014","20.0385","0.0015","90","","104.03","0.002","90","","9830.4","1.3","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C21 H58 Cl5 Gd N14 O25.5 Zn -","- C21 H21 Cl5 Gd N14 O12 Zn -","- C168 H168 Cl40 Gd8 N112 O96 Zn8 -","8","1","","Liang, Li-Li; Zhao, Yi; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang; Liu, Jing-Xin","Coordination nanotubes self-assembled from cucurbit[7]uril and lanthanide cations","CrystEngComm","2013","15","19","3943","","10.1039/c3ce40147b","","","0.71073","MoKα","","0.0515","0.0436","","","0.1244","0.1297","","","","","","1.07","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7210776","26.375","0.002","18.8405","0.0017","20.0249","0.0018","90","","104.69","0.003","90","","9625.5","1.4","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C21 H58 Cl5 N14 O25.5 Tb Zn -","- C21 H21 Cl5 N14 O12 Tb Zn -","- C168 H168 Cl40 N112 O96 Tb8 Zn8 -","8","1","","Liang, Li-Li; Zhao, Yi; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang; Liu, Jing-Xin","Coordination nanotubes self-assembled from cucurbit[7]uril and lanthanide cations","CrystEngComm","2013","15","19","3943","","10.1039/c3ce40147b","","","0.71073","MoKα","","0.0564","0.0488","","","0.1468","0.1541","","","","","","1.062","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210777","26.4821","0.0016","18.9227","0.0012","19.9297","0.0013","90","","104.577","0.002","90","","9665.5","1.1","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C21 H64 Cl5 Er N14 O28.5 Zn -","- C21 H21 Cl5 Er N14 O12 Zn -","- C168 H168 Cl40 Er8 N112 O96 Zn8 -","8","1","","Liang, Li-Li; Zhao, Yi; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang; Liu, Jing-Xin","Coordination nanotubes self-assembled from cucurbit[7]uril and lanthanide cations","CrystEngComm","2013","15","19","3943","","10.1039/c3ce40147b","","","0.71073","MoKα","","0.0718","0.0594","","","0.1746","0.1873","","","","","","1.154","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210778","26.4242","0.0016","18.8983","0.0011","19.8907","0.0011","90","","104.698","0.002","90","","9607.8","1","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C21 H58 Cl5 N14 O25.5 Tm Zn -","- C21 H21 Cl5 N14 O12 Tm Zn -","- C168 H168 Cl40 N112 O96 Tm8 Zn8 -","8","1","","Liang, Li-Li; Zhao, Yi; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang; Liu, Jing-Xin","Coordination nanotubes self-assembled from cucurbit[7]uril and lanthanide cations","CrystEngComm","2013","15","19","3943","","10.1039/c3ce40147b","","","0.71073","MoKα","","0.0718","0.0606","","","0.1817","0.1911","","","","","","1.065","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210779","17.9776","0.0002","17.9776","0.0002","22.3567","0.0003","90","","90","","90","","7225.55","0.15","100","2","100","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C32 H24 Co N4 O14 S2 -","- C32 H24 Co N4 O14 S2 -","- C256 H192 Co8 N32 O112 S16 -","8","0.5","","Fidalgo-Marijuan, Arkaitz; Barandika, Gotzone; Bazán, Begoña; Urtiaga, Miren-Karmele; Arriortua, María Isabel","Thermal stability and crystallochemical analysis for CoII-based coordination polymers with TPP and TPPS porphyrins","CrystEngComm","2013","15","20","4181","","10.1039/c3ce40161h","","","1.54184","CuKα","","0.0856","0.0669","","","0.1845","0.204","","","","","","1.051","","","","has coordinates,has disorder","180438","2020-10-21","18:00:00",""
"7210780","25.1252","0.0004","11.7811","0.0002","23.979","0.0004","90","","93.596","0.001","90","","7083.9","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C98 H65.56 Co1.22 N10 -","- C98 H65.56 Co1.22 N10 -","- C392 H262.24 Co4.88 N40 -","4","0.5","","Fidalgo-Marijuan, Arkaitz; Barandika, Gotzone; Bazán, Begoña; Urtiaga, Miren-Karmele; Arriortua, María Isabel","Thermal stability and crystallochemical analysis for CoII-based coordination polymers with TPP and TPPS porphyrins","CrystEngComm","2013","15","20","4181","","10.1039/c3ce40161h","","","1.5418","CuKα","","0.0438","0.0416","","","0.1095","0.1115","","","","","","1.056","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210781","8.706","0.003","21.861","0.008","10.073","0.004","90","","103.923","0.003","90","","1860.8","1.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 N3 O7 Zn -","- C18 H15 N3 O6.419 Zn -","- C72 H60 N12 O25.676 Zn4 -","4","1","","Xing, Feifei; Jia, Juan; Liu, Licong; Zhong, Lina; Shao, Min; Bai, Yue-ling; Zhao, Yongmei; Zhu, Shourong; He, Xiang; Li, Mingxing","Synthesis, structure and adsorption of coordination polymers constructed from 3,3′,5,5′-azobenzenetetracarboxylic acid and Zn ions","CrystEngComm","2013","15","24","4970","","10.1039/c3ce40174j","","","0.71073","MoKα","","0.087","0.0677","","","0.1914","0.2035","","","","","","1.097","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210782","13.8359","0.0019","12.997","0.0018","24.9","0.003","90","","118.689","0.006","90","","3928","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H23 N5 O11 Zn2 -","- C31 H23 N5 O11 Zn2 -","- C124 H92 N20 O44 Zn8 -","4","1","","Xing, Feifei; Jia, Juan; Liu, Licong; Zhong, Lina; Shao, Min; Bai, Yue-ling; Zhao, Yongmei; Zhu, Shourong; He, Xiang; Li, Mingxing","Synthesis, structure and adsorption of coordination polymers constructed from 3,3′,5,5′-azobenzenetetracarboxylic acid and Zn ions","CrystEngComm","2013","15","24","4970","","10.1039/c3ce40174j","","","0.71073","MoKα","","0.2545","0.1193","","","0.3106","0.3961","","","","","","1.041","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210783","9.5593","0.0013","10.2131","0.0014","11.9424","0.0016","110.091","0.002","99.943","0.002","95.8","0.002","1062.2","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H30 N8 O20 Zn3 -","- C42 H30 N8 O20 Zn3 -","- C42 H30 N8 O20 Zn3 -","1","0.5","","Xing, Feifei; Jia, Juan; Liu, Licong; Zhong, Lina; Shao, Min; Bai, Yue-ling; Zhao, Yongmei; Zhu, Shourong; He, Xiang; Li, Mingxing","Synthesis, structure and adsorption of coordination polymers constructed from 3,3′,5,5′-azobenzenetetracarboxylic acid and Zn ions","CrystEngComm","2013","15","24","4970","","10.1039/c3ce40174j","","","0.71073","MoKα","","0.1288","0.0664","","","0.1432","0.1712","","","","","","0.868","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210784","14.8149","0.0018","54.114","0.006","9.2584","0.0012","90","","110.055","0.009","90","","6972.3","1.5","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C199 H219 N21 O61 Zn8 -","- C160 H80 N8 O48 Zn8 -","- C160 H80 N8 O48 Zn8 -","1","0.125","","Lalonde, Marianne B.; Getman, Rachel B.; Lee, Jeong Yong; Roberts, John M.; Sarjeant, Amy A.; Scheidt, Karl A.; Georgiev, Peter A.; Embs, Jan P.; Eckert, Juergen; Farha, Omar K.; Snurr, Randall Q.; Hupp, Joseph T.","A zwitterionic metal‒organic framework with free carboxylic acid sites that exhibits enhanced hydrogen adsorption energies","CrystEngComm","2013","15","45","9408","","10.1039/c3ce40198g","","","1.54178","CuKα","","0.2304","0.0953","","","0.2167","0.2623","","","","","","0.622","","","","has coordinates,has disorder","180438","2020-10-21","18:00:00",""
"7210785","9.2506","0.0006","14.4032","0.001","27.384","0.002","97.587","0.006","93.139","0.006","106.92","0.005","3443.4","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H59 Br N7 O18 Zn2 -","- C40 H24 Br N2 O13 Zn2 -","- C80 H48 Br2 N4 O26 Zn4 -","2","1","","Lalonde, Marianne B.; Getman, Rachel B.; Lee, Jeong Yong; Roberts, John M.; Sarjeant, Amy A.; Scheidt, Karl A.; Georgiev, Peter A.; Embs, Jan P.; Eckert, Juergen; Farha, Omar K.; Snurr, Randall Q.; Hupp, Joseph T.","A zwitterionic metal‒organic framework with free carboxylic acid sites that exhibits enhanced hydrogen adsorption energies","CrystEngComm","2013","15","45","9408","","10.1039/c3ce40198g","","","1.54178","CuKα","","0.1351","0.0903","","","0.2221","0.2452","","","","","","0.911","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210786","4.6628","0.0017","7.013","0.003","13.081","0.005","90","","90","","90","","427.8","0.3","293","2","293","2","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Br3 Hg2 I -","- Br3 Hg2 I -","- Br6 Hg4 I2 -","2","0.25","","Huang, Yin; Meng, Xianggao; Kang, Lei; Li, Yanjun; Zhong, Cheng; Lin, Zheshuai; Chen, Xingguo; Qin, Jingui","Hg2Br3I: a new mixed halide nonlinear optical material in the infrared region","CrystEngComm","2013","15","20","4196","","10.1039/c3ce40213d","","","0.71073","MoKα","","0.0407","0.0386","","","0.0983","0.099","","","","","","1.084","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210787","10.07","0.005","10.734","0.005","11.474","0.005","115.129","0.005","109.861","0.005","97.138","0.005","1002.2","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H52 Co4 N4 O18 -","- C36 H52 Co4 N4 O18 -","- C36 H52 Co4 N4 O18 -","1","0.5","","Chen, Huan-Huan; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","A series of tetranuclear-cluster-containing complexes based on pendent-arm macrocyclic ligand and different carboxylates: syntheses, structures, photoluminescence, and magnetic properties","CrystEngComm","2013","15","25","5168","","10.1039/c3ce40239h","","","0.71069","MoKα","","0.0468","0.0395","","","0.1063","0.1106","","","","","","1.077","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210788","10.2072","0.0009","10.7719","0.0007","11.5617","0.0008","114.506","0.007","109.613","0.007","97.489","0.006","1034.31","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H52 Mn4 N4 O18 -","- C36 H52 Mn4 N4 O18 -","- C36 H52 Mn4 N4 O18 -","1","0.5","","Chen, Huan-Huan; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","A series of tetranuclear-cluster-containing complexes based on pendent-arm macrocyclic ligand and different carboxylates: syntheses, structures, photoluminescence, and magnetic properties","CrystEngComm","2013","15","25","5168","","10.1039/c3ce40239h","","","0.71073","MoKα","","0.0887","0.0497","","","0.1178","0.1285","","","","","","0.919","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210789","12.706","0.005","13.774","0.005","14.198","0.005","79.814","0.005","69.227","0.005","79.861","0.005","2269.3","1.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H98 Co8 N8 O35 -","- C80 H98 Co8 N8 O35 -","- C80 H98 Co8 N8 O35 -","1","0.5","","Chen, Huan-Huan; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","A series of tetranuclear-cluster-containing complexes based on pendent-arm macrocyclic ligand and different carboxylates: syntheses, structures, photoluminescence, and magnetic properties","CrystEngComm","2013","15","25","5168","","10.1039/c3ce40239h","","","0.71069","MoKα","","0.0875","0.0504","","","0.1345","0.1524","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210790","12.722","0.003","13.796","0.003","14.181","0.003","79.7","0.03","68.75","0.03","80","0.03","2266.2","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H96 N8 O35 Zn8 -","- C80 H96 N8 O35 Zn8 -","- C80 H96 N8 O35 Zn8 -","1","0.5","","Chen, Huan-Huan; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","A series of tetranuclear-cluster-containing complexes based on pendent-arm macrocyclic ligand and different carboxylates: syntheses, structures, photoluminescence, and magnetic properties","CrystEngComm","2013","15","25","5168","","10.1039/c3ce40239h","","","0.71073","MoKα","","0.0973","0.0554","","","0.1272","0.1485","","","","","","1.045","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210791","14.726","0.005","16.062","0.005","10.163","0.005","90","0.005","123.115","0.005","90","0.005","2013.4","1.4","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C34 H44 Co4 N4 O17 -","- C34 H44 Co4 N4 O17 -","- C68 H88 Co8 N8 O34 -","2","0.25","","Chen, Huan-Huan; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","A series of tetranuclear-cluster-containing complexes based on pendent-arm macrocyclic ligand and different carboxylates: syntheses, structures, photoluminescence, and magnetic properties","CrystEngComm","2013","15","25","5168","","10.1039/c3ce40239h","","","0.71069","MoKα","","0.0733","0.0479","","","0.1101","0.1208","","","","","","1.084","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210792","14.719","0.005","16.064","0.005","10.16","0.005","90","0.005","123.156","0.005","90","0.005","2011.2","1.4","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C34 H44 N4 O17 Zn4 -","- C34 H44 N4 O17 Zn4 -","- C68 H88 N8 O34 Zn8 -","2","0.25","","Chen, Huan-Huan; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","A series of tetranuclear-cluster-containing complexes based on pendent-arm macrocyclic ligand and different carboxylates: syntheses, structures, photoluminescence, and magnetic properties","CrystEngComm","2013","15","25","5168","","10.1039/c3ce40239h","","","0.71069","MoKα","","0.0407","0.0302","","","0.0708","0.0748","","","","","","1.06","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210793","10.507","0.005","10.58","0.005","10.725","0.005","101.281","0.005","108.121","0.005","90.551","0.005","1108","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H48 Co4 N4 O19 -","- C36 H48 Co4 N4 O19 -","- C36 H48 Co4 N4 O19 -","1","0.5","","Chen, Huan-Huan; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","A series of tetranuclear-cluster-containing complexes based on pendent-arm macrocyclic ligand and different carboxylates: syntheses, structures, photoluminescence, and magnetic properties","CrystEngComm","2013","15","25","5168","","10.1039/c3ce40239h","","","0.71069","MoKα","","0.0594","0.046","","","0.1403","0.1544","","","","","","1.102","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210794","23.579","0.0011","9.9671","0.0002","20.2015","0.0018","90","","114.428","0.004","90","","4322.6","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H26 Co2 N2 O8.7 -","- C19 H26 Co2 N2 O8.7 -","- C152 H208 Co16 N16 O69.6 -","8","1","","Chen, Huan-Huan; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","A series of tetranuclear-cluster-containing complexes based on pendent-arm macrocyclic ligand and different carboxylates: syntheses, structures, photoluminescence, and magnetic properties","CrystEngComm","2013","15","25","5168","","10.1039/c3ce40239h","","","0.71073","MoKα","","0.0889","0.0547","","","0.1458","0.1568","","","","","","0.934","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210795","8.447","0.004","11.013","0.006","14.285","0.006","107.72","0.03","100.94","0.02","97.82","0.03","1215.9","1.1","293","","293","","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C24 H24 N3 Ni O8 -","- C21.809 H22.427 N3 Ni O8 -","- C43.618 H44.854 N6 Ni2 O16 -","2","1","","Calderón-Casado, Ainhoa; Barandika, Gotzone; Bazán, Begoña; Urtiaga, Miren-Karmele; Arriortua, María-Isabel","Host‒guest chemistry of NiII coordination compounds with PDC and (py)2CO: reversible crystal-to-amorphous transformations induced by solvent exchange","CrystEngComm","2013","15","25","5134","","10.1039/c3ce40377g","powder diffraction","","1.54051","X-ray","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210796","8.23","0.003","10.54","0.004","14.14","0.003","97.46","0.02","99.97","0.03","109.71","0.03","1113.6","0.7","298","2","298","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C20 H17 N3 Ni O8 -","- C20 H17 N3 Ni O8 -","- C40 H34 N6 Ni2 O16 -","2","1","","Calderón-Casado, Ainhoa; Barandika, Gotzone; Bazán, Begoña; Urtiaga, Miren-Karmele; Arriortua, María-Isabel","Host‒guest chemistry of NiII coordination compounds with PDC and (py)2CO: reversible crystal-to-amorphous transformations induced by solvent exchange","CrystEngComm","2013","15","25","5134","","10.1039/c3ce40377g","","","0.71073","MoKα","","0.1112","0.0717","","","0.1756","0.2121","","","","","","1.054","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210797","8.5403","0.0004","10.9818","0.0005","14.1674","0.0007","105.113","0.004","102.302","0.004","97.866","0.004","1226.97","0.11","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C24 H27 N3 Ni O8 -","- C24 H27 N3 Ni O8 -","- C48 H54 N6 Ni2 O16 -","2","1","","Calderón-Casado, Ainhoa; Barandika, Gotzone; Bazán, Begoña; Urtiaga, Miren-Karmele; Arriortua, María-Isabel","Host‒guest chemistry of NiII coordination compounds with PDC and (py)2CO: reversible crystal-to-amorphous transformations induced by solvent exchange","CrystEngComm","2013","15","25","5134","","10.1039/c3ce40377g","","","1.54184","CuKα","","0.0909","0.0748","","","0.1804","0.1958","","","","","","1.034","","","","has coordinates,has disorder","180438","2020-10-21","18:00:00",""
"7210798","8.8297","0.0001","7.4138","0.0001","29.8081","0.0004","90","","96.841","0.001","90","","1937.39","0.04","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N3 Ni O9 -","- C18 H19 N3 Ni O9 -","- C72 H76 N12 Ni4 O36 -","4","1","","Calderón-Casado, Ainhoa; Barandika, Gotzone; Bazán, Begoña; Urtiaga, Miren-Karmele; Arriortua, María-Isabel","Host‒guest chemistry of NiII coordination compounds with PDC and (py)2CO: reversible crystal-to-amorphous transformations induced by solvent exchange","CrystEngComm","2013","15","25","5134","","10.1039/c3ce40377g","","","1.54184","CuKα","","0.0449","0.0433","","","0.0982","0.0991","","","","","","1.097","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210799","12.5726","0.0019","13.341","0.002","13.473","0.004","102.989","0.002","109.678","0.002","108.726","0.002","1869.6","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H68 Cd2 Cl2 Cu4 N14 O18 -","- C72 H64 Cd2 Cl2 Cu4 N14 O18 -","- C72 H64 Cd2 Cl2 Cu4 N14 O18 -","1","0.5","","Das, Lakshmi Kanta; Ghosh, Ashutosh","Structural diversity in the complexes based on a hetero-trimetallic Cu2Cd node and dicyanamide spacer: a hexanuclear cluster, a 1D stair polymer and a 1D zigzag chain as supramolecular isomers, and a 3D network","CrystEngComm","2013","15","45","9444","","10.1039/c3ce40382c","","","0.71073","MoKα","","0.0471","0.0352","","","0.088","0.0949","","","","","","1.052","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210800","8.89","0.005","13.226","0.005","17.248","0.005","101.448","0.005","98.822","0.005","107.349","0.005","1847.6","1.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H64 Cd2 Cl2 Cu4 N14 O16 -","- C72 H64 Cd2 Cl2 Cu4 N14 O16 -","- C72 H64 Cd2 Cl2 Cu4 N14 O16 -","1","0.5","","Das, Lakshmi Kanta; Ghosh, Ashutosh","Structural diversity in the complexes based on a hetero-trimetallic Cu2Cd node and dicyanamide spacer: a hexanuclear cluster, a 1D stair polymer and a 1D zigzag chain as supramolecular isomers, and a 3D network","CrystEngComm","2013","15","45","9444","","10.1039/c3ce40382c","","","0.71073","MoKα","","0.1187","0.1133","","","0.3239","0.3255","","","","","","1.089","","","","has coordinates,has disorder","180439","2020-10-21","18:00:00",""
"7210801","8.09","0.005","27.992","0.005","17.987","0.005","90","0.005","90","0.005","90","0.005","4073","3","293","2","293","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C36 H32 Cd Cl Cu2 N7 O8 -","- C36 H32 Cd Cl Cu2 N7 O8 -","- C144 H128 Cd4 Cl4 Cu8 N28 O32 -","4","0.5","","Das, Lakshmi Kanta; Ghosh, Ashutosh","Structural diversity in the complexes based on a hetero-trimetallic Cu2Cd node and dicyanamide spacer: a hexanuclear cluster, a 1D stair polymer and a 1D zigzag chain as supramolecular isomers, and a 3D network","CrystEngComm","2013","15","45","9444","","10.1039/c3ce40382c","","","0.71073","MoKα","","0.0486","0.0357","","","0.0952","0.1023","","","","","","1.038","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210802","11.377","0.005","11.377","0.005","25.411","0.005","90","0.005","90","0.005","120","0.005","2848.4","1.9","293","2","293","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C38 H32 Cd Cu2 N10 O4 -","- C38 H32 Cd Cu2 N10 O4 -","- C114 H96 Cd3 Cu6 N30 O12 -","3","0.5","","Das, Lakshmi Kanta; Ghosh, Ashutosh","Structural diversity in the complexes based on a hetero-trimetallic Cu2Cd node and dicyanamide spacer: a hexanuclear cluster, a 1D stair polymer and a 1D zigzag chain as supramolecular isomers, and a 3D network","CrystEngComm","2013","15","45","9444","","10.1039/c3ce40382c","","","0.71073","MoKα","","0.0319","0.0291","","","0.0728","0.0743","","","","","","1.027","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210803","10.5123","0.0007","15.0065","0.001","15.3954","0.0016","113.108","0.003","107.716","0.003","98.386","0.002","2028","0.3","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H76 Cd Cl16 N24 O29 Zn4 -","- C36 H36 Cd Cl16 N24 O22 Zn4 -","- C36 H36 Cd Cl16 N24 O22 Zn4 -","1","0.5","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Zhang, Ting; Xiao, Xin; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang","Inorganic anion-aided coordination of lanthanide metal ions to cucurbituril and supramolecular self-assembly: potential applications in the separation of light lanthanides","CrystEngComm","2013","15","39","7987","","10.1039/c3ce40568k","","","0.71073","MoKα","","0.1177","0.1108","","","0.3192","0.3226","","","","","","1.129","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210804","15.1118","0.0008","15.5851","0.0008","17.0616","0.0012","64.897","0.002","80.888","0.002","81.757","0.001","3579.8","0.4","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H92 Cd Cl5 N24 O40 Y -","- C36 H36 Cd Cl5 N24 O16 Y -","- C72 H72 Cd2 Cl10 N48 O32 Y2 -","2","1","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Zhang, Ting; Xiao, Xin; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang","Inorganic anion-aided coordination of lanthanide metal ions to cucurbituril and supramolecular self-assembly: potential applications in the separation of light lanthanides","CrystEngComm","2013","15","39","7987","","10.1039/c3ce40568k","","","0.71073","MoKα","","0.0769","0.0529","","","0.1393","0.1499","","","","","","0.964","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210805","15.14","0.0007","15.7332","0.0007","17.1707","0.0008","64.184","0.001","81.023","0.002","81.956","0.002","3624.8","0.3","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H94 Cd Cl5 N24 O41 Sm -","- C36 H36 Cd Cl5 N24 O16 Sm -","- C72 H72 Cd2 Cl10 N48 O32 Sm2 -","2","1","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Zhang, Ting; Xiao, Xin; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang","Inorganic anion-aided coordination of lanthanide metal ions to cucurbituril and supramolecular self-assembly: potential applications in the separation of light lanthanides","CrystEngComm","2013","15","39","7987","","10.1039/c3ce40568k","","","0.71073","MoKα","","0.0575","0.0499","","","0.1428","0.1489","","","","","","1.064","","","","has coordinates,has disorder","180439","2020-10-21","18:00:00",""
"7210806","15.164","0.0014","15.6132","0.0014","17.1565","0.0015","64.327","0.003","81.022","0.003","82.192","0.003","3605.5","0.6","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H96 Cd Cl5 Eu N24 O42 -","- C36 H36 Cd Cl5 Eu N24 O16 -","- C72 H72 Cd2 Cl10 Eu2 N48 O32 -","2","1","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Zhang, Ting; Xiao, Xin; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang","Inorganic anion-aided coordination of lanthanide metal ions to cucurbituril and supramolecular self-assembly: potential applications in the separation of light lanthanides","CrystEngComm","2013","15","39","7987","","10.1039/c3ce40568k","","","0.71073","MoKα","","0.0568","0.0472","","","0.1327","0.1399","","","","","","1.089","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210807","15.136","0.003","15.719","0.003","17.189","0.003","64.678","0.006","80.911","0.006","81.763","0.006","3637.1","1.2","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H102 Cd Cl5 Gd N24 O45 -","- C36 H36 Cd Cl5 Gd N24 O16 -","- C72 H72 Cd2 Cl10 Gd2 N48 O32 -","2","1","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Zhang, Ting; Xiao, Xin; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang","Inorganic anion-aided coordination of lanthanide metal ions to cucurbituril and supramolecular self-assembly: potential applications in the separation of light lanthanides","CrystEngComm","2013","15","39","7987","","10.1039/c3ce40568k","","","0.71073","MoKα","","0.0411","0.0365","","","0.098","0.1009","","","","","","1.053","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210808","15.101","0.006","15.634","0.006","17.21","0.007","64.686","0.013","80.871","0.014","81.896","0.013","3614","3","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H92 Cd Cl5 N24 O40 Tb -","- C36 H36 Cd Cl5 N24 O16 Tb -","- C72 H72 Cd2 Cl10 N48 O32 Tb2 -","2","1","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Zhang, Ting; Xiao, Xin; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang","Inorganic anion-aided coordination of lanthanide metal ions to cucurbituril and supramolecular self-assembly: potential applications in the separation of light lanthanides","CrystEngComm","2013","15","39","7987","","10.1039/c3ce40568k","","","0.71073","MoKα","","0.0874","0.0688","","","0.1703","0.1824","","","","","","0.946","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210809","15.1428","0.0019","15.569","0.002","17.119","0.002","64.842","0.004","80.884","0.005","81.789","0.004","3594.1","0.8","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H96 Cd Cl5 Dy N24 O42 -","- C36 H36 Cd Cl5 Dy N24 O16 -","- C72 H72 Cd2 Cl10 Dy2 N48 O32 -","2","1","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Zhang, Ting; Xiao, Xin; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang","Inorganic anion-aided coordination of lanthanide metal ions to cucurbituril and supramolecular self-assembly: potential applications in the separation of light lanthanides","CrystEngComm","2013","15","39","7987","","10.1039/c3ce40568k","","","0.71073","MoKα","","0.0476","0.0415","","","0.1135","0.118","","","","","","1.047","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210810","15.135","0.003","15.617","0.003","17.079","0.004","64.87","0.008","80.916","0.008","81.719","0.008","3595.5","1.3","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H138 Cd Cl5 Ho N24 O63 -","- C36 H36 Cd Cl5 Ho N24 O16 -","- C72 H72 Cd2 Cl10 Ho2 N48 O32 -","2","1","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Zhang, Ting; Xiao, Xin; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang","Inorganic anion-aided coordination of lanthanide metal ions to cucurbituril and supramolecular self-assembly: potential applications in the separation of light lanthanides","CrystEngComm","2013","15","39","7987","","10.1039/c3ce40568k","","","0.71073","MoKα","","0.1497","0.1247","","","0.3566","0.3823","","","","","","1.436","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210811","15.0779","0.0008","15.608","0.0008","17.0335","0.0009","65.006","0.002","81.067","0.002","81.602","0.002","3574.6","0.3","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H92 Cd Cl5 Er N24 O40 -","- C36 H36 Cd Cl5 Er N24 O16 -","- C72 H72 Cd2 Cl10 Er2 N48 O32 -","2","1","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Zhang, Ting; Xiao, Xin; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang","Inorganic anion-aided coordination of lanthanide metal ions to cucurbituril and supramolecular self-assembly: potential applications in the separation of light lanthanides","CrystEngComm","2013","15","39","7987","","10.1039/c3ce40568k","","","0.71073","MoKα","","0.047","0.0404","","","0.1086","0.1133","","","","","","1.028","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210812","15.127","0.004","15.586","0.005","17.087","0.005","65.083","0.01","80.892","0.012","81.824","0.012","3594.7","1.9","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H98 Cd Cl5 N24 O43 Tm -","- C36 H36 Cd Cl5 N24 O16 Tm -","- C72 H72 Cd2 Cl10 N48 O32 Tm2 -","2","1","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Zhang, Ting; Xiao, Xin; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang","Inorganic anion-aided coordination of lanthanide metal ions to cucurbituril and supramolecular self-assembly: potential applications in the separation of light lanthanides","CrystEngComm","2013","15","39","7987","","10.1039/c3ce40568k","","","0.71073","MoKα","","0.0474","0.0411","","","0.1097","0.115","","","","","","1.064","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210813","15.076","0.003","15.57","0.003","17.006","0.004","64.892","0.007","80.96","0.007","81.779","0.007","3556.8","1.3","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H112 Cd Cl5 N24 O50 Yb -","- C36 H36 Cd Cl5 N24 O16 Yb -","- C72 H72 Cd2 Cl10 N48 O32 Yb2 -","2","1","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Zhang, Ting; Xiao, Xin; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang","Inorganic anion-aided coordination of lanthanide metal ions to cucurbituril and supramolecular self-assembly: potential applications in the separation of light lanthanides","CrystEngComm","2013","15","39","7987","","10.1039/c3ce40568k","","","0.71073","MoKα","","0.1082","0.0896","","","0.2242","0.2432","","","","","","0.99","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210814","15.064","0.01","15.606","0.01","16.975","0.011","64.896","0.018","80.645","0.019","81.17","0.019","3550","4","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H138 Cd Cl5 Lu N24 O63 -","- C36 H36 Cd Cl5 Lu N24 O16 -","- C72 H72 Cd2 Cl10 Lu2 N48 O32 -","2","1","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Zhang, Ting; Xiao, Xin; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang","Inorganic anion-aided coordination of lanthanide metal ions to cucurbituril and supramolecular self-assembly: potential applications in the separation of light lanthanides","CrystEngComm","2013","15","39","7987","","10.1039/c3ce40568k","","","0.71073","MoKα","","0.1358","0.08","","","0.2253","0.2513","","","","","","1.067","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210815","10.4581","0.0011","26.99","0.003","29.15","0.003","90","","94.84","0.003","90","","8198.7","1.5","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H116 Cl10 N24 O52 Sm2 Zn2 -","- C36 H36 Cl10 N24 O22 Sm2 Zn2 -","- C144 H144 Cl40 N96 O88 Sm8 Zn8 -","4","1","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Zhang, Ting; Xiao, Xin; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang","Inorganic anion-aided coordination of lanthanide metal ions to cucurbituril and supramolecular self-assembly: potential applications in the separation of light lanthanides","CrystEngComm","2013","15","39","7987","","10.1039/c3ce40568k","","","0.71073","MoKα","","0.145","0.1112","","","0.3127","0.3369","","","","","","1.153","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210816","10.3737","0.0018","27.124","0.005","29.044","0.005","90","","95.595","0.006","90","","8133","2","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H98 Cl10 Eu2 N24 O43 Zn2 -","- C36 H36 Cl10 Eu2 N24 O22 Zn2 -","- C144 H144 Cl40 Eu8 N96 O88 Zn8 -","4","1","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Zhang, Ting; Xiao, Xin; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang","Inorganic anion-aided coordination of lanthanide metal ions to cucurbituril and supramolecular self-assembly: potential applications in the separation of light lanthanides","CrystEngComm","2013","15","39","7987","","10.1039/c3ce40568k","","","0.71073","MoKα","","0.0669","0.0524","","","0.1541","0.1615","","","","","","1.07","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210817","10.38","0.002","26.98","0.005","29.004","0.005","90","","95.53","0.006","90","","8085","3","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H94 Cl10 Gd2 N24 O41 Zn2 -","- C36 H36 Cl10 Gd2 N24 O22 Zn2 -","- C144 H144 Cl40 Gd8 N96 O88 Zn8 -","4","1","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Zhang, Ting; Xiao, Xin; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang","Inorganic anion-aided coordination of lanthanide metal ions to cucurbituril and supramolecular self-assembly: potential applications in the separation of light lanthanides","CrystEngComm","2013","15","39","7987","","10.1039/c3ce40568k","","","0.71073","MoKα","","0.09","0.0648","","","0.192","0.2065","","","","","","1.044","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210818","10.3566","0.0009","27.003","0.003","28.938","0.003","90","","95.463","0.003","90","","8056","1.4","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H124 Cl10 N24 O56 Tb2 Zn2 -","- C36 H36 Cl10 N24 O22 Tb2 Zn2 -","- C144 H144 Cl40 N96 O88 Tb8 Zn8 -","4","1","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Zhang, Ting; Xiao, Xin; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang","Inorganic anion-aided coordination of lanthanide metal ions to cucurbituril and supramolecular self-assembly: potential applications in the separation of light lanthanides","CrystEngComm","2013","15","39","7987","","10.1039/c3ce40568k","","","0.71073","MoKα","","0.1098","0.096","","","0.2589","0.2689","","","","","","1.048","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210819","12.166","0.004","19.686","0.006","14.752","0.005","90","","112.805","0.009","90","","3256.9","1.8","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H72 Cl6 Dy2 N24 O30 -","- C36 H36 Cl6 Dy2 N24 O24 -","- C72 H72 Cl12 Dy4 N48 O48 -","2","0.5","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Zhang, Ting; Xiao, Xin; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang","Inorganic anion-aided coordination of lanthanide metal ions to cucurbituril and supramolecular self-assembly: potential applications in the separation of light lanthanides","CrystEngComm","2013","15","39","7987","","10.1039/c3ce40568k","","","0.71073","MoKα","","0.0295","0.0265","","","0.0713","0.0729","","","","","","1.044","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210820","12.306","0.0007","20.5511","0.0012","13.7026","0.0007","90","","95.421","0.002","90","","3449.9","0.3","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H74 Cl8 N24 O29 Zn2 -","- C36 H36 Cl8 N24 O16 Zn2 -","- C72 H72 Cl16 N48 O32 Zn4 -","2","0.5","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Zhang, Ting; Xiao, Xin; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang","Inorganic anion-aided coordination of lanthanide metal ions to cucurbituril and supramolecular self-assembly: potential applications in the separation of light lanthanides","CrystEngComm","2013","15","39","7987","","10.1039/c3ce40568k","","","0.71073","MoKα","","0.0564","0.0433","","","0.1233","0.1303","","","","","","1.101","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210821","15.31","0.02","15.81","0.02","17.28","0.02","64.156","0.015","81.043","0.017","81.527","0.017","3704","8","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H100 Cl5 Ho N24 O44 Zn -","- C36 H36 Cl5 Ho N24 O17 Zn -","- C72 H72 Cl10 Ho2 N48 O34 Zn2 -","2","1","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Zhang, Ting; Xiao, Xin; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang","Inorganic anion-aided coordination of lanthanide metal ions to cucurbituril and supramolecular self-assembly: potential applications in the separation of light lanthanides","CrystEngComm","2013","15","39","7987","","10.1039/c3ce40568k","","","0.71073","MoKα","","0.1101","0.0677","","","0.1657","0.1841","","","","","","0.949","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210822","15.142","0.002","15.54","0.002","16.992","0.002","63.894","0.005","80.645","0.005","81.604","0.005","3530.1","0.8","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H92 Cl5 Er N24 O40 Zn -","- C36 H36 Cl5 Er N24 O16 Zn -","- C72 H72 Cl10 Er2 N48 O32 Zn2 -","2","1","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Zhang, Ting; Xiao, Xin; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang","Inorganic anion-aided coordination of lanthanide metal ions to cucurbituril and supramolecular self-assembly: potential applications in the separation of light lanthanides","CrystEngComm","2013","15","39","7987","","10.1039/c3ce40568k","","","0.71073","MoKα","","0.0624","0.0536","","","0.142","0.1484","","","","","","1.037","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210823","15.1322","0.0015","15.5741","0.0015","16.9621","0.0016","64.032","0.004","81.003","0.004","81.418","0.004","3535","0.6","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H94 Cl5 N24 O41 Tm Zn -","- C36 H36 Cl5 N24 O17 Tm Zn -","- C72 H72 Cl10 N48 O34 Tm2 Zn2 -","2","1","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Zhang, Ting; Xiao, Xin; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang","Inorganic anion-aided coordination of lanthanide metal ions to cucurbituril and supramolecular self-assembly: potential applications in the separation of light lanthanides","CrystEngComm","2013","15","39","7987","","10.1039/c3ce40568k","","","0.71073","MoKα","","0.0778","0.0602","","","0.1488","0.1583","","","","","","0.956","","","","has coordinates,has disorder","180439","2020-10-21","18:00:00",""
"7210824","15.138","0.002","15.585","0.002","16.967","0.002","64.023","0.005","80.796","0.005","81.44","0.006","3538.2","0.8","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H94 Cl5 N24 O41 Yb Zn -","- C36 H36 Cl5 N24 O17 Yb Zn -","- C72 H72 Cl10 N48 O34 Yb2 Zn2 -","2","1","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Zhang, Ting; Xiao, Xin; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang","Inorganic anion-aided coordination of lanthanide metal ions to cucurbituril and supramolecular self-assembly: potential applications in the separation of light lanthanides","CrystEngComm","2013","15","39","7987","","10.1039/c3ce40568k","","","0.71073","MoKα","","0.057","0.0486","","","0.1435","0.1489","","","","","","1.049","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210825","15.1379","0.001","15.6777","0.0011","16.9861","0.0012","63.936","0.002","80.761","0.002","81.111","0.002","3558.3","0.4","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H100 Cl5 Lu N24 O44 Zn -","- C36 H36 Cl5 Lu N24 O16 Zn -","- C72 H72 Cl10 Lu2 N48 O32 Zn2 -","2","1","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Zhang, Ting; Xiao, Xin; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang","Inorganic anion-aided coordination of lanthanide metal ions to cucurbituril and supramolecular self-assembly: potential applications in the separation of light lanthanides","CrystEngComm","2013","15","39","7987","","10.1039/c3ce40568k","","","0.71073","MoKα","","0.0526","0.0454","","","0.1187","0.1238","","","","","","0.998","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210826","28.7527","0.0001","28.7527","0.0001","35.4316","0.0002","90","","90","","90","","29291.9","0.2","100.01","0.1","100.01","0.1","","","","","","","","6","I 4/m","-I 4","87","UHM-7","","","- C228 H120 Cu12 N8 O61 Si6 -","- C228 H120 Cu12 N8 O61 Si6 -","- C912 H480 Cu48 N32 O244 Si24 -","4","0.25","","Frahm, Daniela; Hoffmann, Frank; Fröba, Michael","Linker extensions in metal‒organic frameworks: a way to isoreticular networks or new topologies?","CrystEngComm","2013","15","45","9429","","10.1039/c3ce40594j","","","1.54178","CuKα","","0.1309","0.1159","","","0.3455","0.3876","","","","","","1.791","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210827","7.0933","0.0006","16.2066","0.0011","8.8042","0.0007","90","","93.749","0.003","90","","1009.95","0.14","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H17 Cl N2 O2 -","- C7 H17 Cl N2 O2 -","- C28 H68 Cl4 N8 O8 -","4","1","","Rotival, Romain; Corvis, Yohann; Cartigny, Yohann; Négrier, Philippe; Marchivie, Mathieu; Massip, Stéphane; Gana, Inès; Lemoine, Pascale; Espeau, Philippe","Comprehensive determination of the solid state stability of bethanechol chloride active pharmaceutical ingredient using combined analytical tools","CrystEngComm","2013","15","39","7970","","10.1039/c3ce40707a","","","1.5418","CuKα","","0.0838","0.0739","","","0.1797","0.1921","","","","","","1.002","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210828","7.9283","0.0001","13.373","0.0002","15.2752","0.0002","90","","102.284","0.001","90","","1582.48","0.04","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H22 Cd N12 O2 -","- C8 H22 Cd N12 O2 -","- C32 H88 Cd4 N48 O8 -","4","1","","Yang, Meng; OuYang, Zhen-Jie; Chen, Wen-Bin; Zhou, Rong-Fu; Li, Nan; Dong, Wen","Structures of six photochromic 3d complexes containing 3,3′-azobis-1,2,4-triazole ligand","CrystEngComm","2013","15","42","8529","","10.1039/c3ce40736e","","","0.71073","MoKα","","0.0372","0.0326","","","0.0841","0.087","","","","","","0.968","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210829","6.3061","0.0009","6.9947","0.001","7.908","0.0012","76.149","0.005","74.174","0.005","69.324","0.005","309.99","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H14 Mn N8 O6 -","- C4 H14 Mn N8 O6 -","- C4 H14 Mn N8 O6 -","1","0.5","","Yang, Meng; OuYang, Zhen-Jie; Chen, Wen-Bin; Zhou, Rong-Fu; Li, Nan; Dong, Wen","Structures of six photochromic 3d complexes containing 3,3′-azobis-1,2,4-triazole ligand","CrystEngComm","2013","15","42","8529","","10.1039/c3ce40736e","","","0.71073","MoKα","","0.042","0.0417","","","0.1185","0.1188","","","","","","1.123","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210830","7.7533","0.0003","13.1193","0.0005","15.5043","0.0006","90","","99.829","0.003","90","","1553.92","0.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H22 N12 O2 Zn -","- C8 H18 N12 O2 Zn -","- C32 H72 N48 O8 Zn4 -","4","1","","Yang, Meng; OuYang, Zhen-Jie; Chen, Wen-Bin; Zhou, Rong-Fu; Li, Nan; Dong, Wen","Structures of six photochromic 3d complexes containing 3,3′-azobis-1,2,4-triazole ligand","CrystEngComm","2013","15","42","8529","","10.1039/c3ce40736e","","","0.71073","MoKα","","0.113","0.0732","","","0.193","0.2221","","","","","","1.056","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210831","11.892","0.0003","7.2477","0.0002","14.5382","0.0004","90","","98.479","0.002","90","","1239.35","0.06","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C12 H34 Co N20 O6 -","- C12 H34 Co N20 O6 -","- C24 H68 Co2 N40 O12 -","2","0.5","","Yang, Meng; OuYang, Zhen-Jie; Chen, Wen-Bin; Zhou, Rong-Fu; Li, Nan; Dong, Wen","Structures of six photochromic 3d complexes containing 3,3′-azobis-1,2,4-triazole ligand","CrystEngComm","2013","15","42","8529","","10.1039/c3ce40736e","","","0.71073","MoKα","","0.0796","0.0673","","","0.198","0.2087","","","","","","1.059","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210832","7.0262","0.0004","8.45","0.0005","12.2755","0.0009","103.213","0.004","97.971","0.004","105.3","0.003","668.83","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H18 Cu N12 -","- C8 H18 Cu N12 -","- C16 H36 Cu2 N24 -","2","1","","Yang, Meng; OuYang, Zhen-Jie; Chen, Wen-Bin; Zhou, Rong-Fu; Li, Nan; Dong, Wen","Structures of six photochromic 3d complexes containing 3,3′-azobis-1,2,4-triazole ligand","CrystEngComm","2013","15","42","8529","","10.1039/c3ce40736e","","","0.71073","MoKα","","0.0379","0.0331","","","0.1033","0.1076","","","","","","1.055","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210833","8.8748","0.0003","25.091","0.0006","23.252","0.0007","90","","97.411","0.002","90","","5134.4","0.3","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C48 H48 Mn2 N24 O6 -","- C48 H48 Mn2 N24 O6 -","- C192 H192 Mn8 N96 O24 -","4","1","","Yang, Meng; OuYang, Zhen-Jie; Chen, Wen-Bin; Zhou, Rong-Fu; Li, Nan; Dong, Wen","Structures of six photochromic 3d complexes containing 3,3′-azobis-1,2,4-triazole ligand","CrystEngComm","2013","15","42","8529","","10.1039/c3ce40736e","","","0.71073","MoKα","","0.0702","0.0479","","","0.1087","0.1203","","","","","","1.016","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210834","15.0657","0.0003","9.2696","0.0002","28.1087","0.0006","90","","91.797","0.001","90","","3923.53","0.14","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C38 H38 O12 -","- C38 H38 O12 -","- C152 H152 O48 -","4","1","","Chaumont, Clément; Mobian, Pierre; Kyritsakas, Nathalie; Henry, Marc","Synthesis, topology and energy analysis of crystalline resorcinol-based oligophenylene molecules with various symmetries","CrystEngComm","2013","15","34","6845","","10.1039/c3ce40761f","","","0.71073","MoKα","","0.1189","0.082","","","0.2526","0.2763","","","","","","1.052","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210835","32.8482","0.0013","7.0555","0.0002","25.7963","0.0018","90","","128.815","0.001","90","","4658.3","0.4","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C49 H36 O8 -","- C49 H36 O8 -","- C196 H144 O32 -","4","0.5","","Chaumont, Clément; Mobian, Pierre; Kyritsakas, Nathalie; Henry, Marc","Synthesis, topology and energy analysis of crystalline resorcinol-based oligophenylene molecules with various symmetries","CrystEngComm","2013","15","34","6845","","10.1039/c3ce40761f","","","0.71073","MoKα","","0.0871","0.0609","","","0.1757","0.191","","","","","","1.052","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210836","7.8893","0.0002","9.9296","0.0002","11.9272","0.0003","74.725","0.001","81.357","0.001","83.184","0.001","888.03","0.04","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H22 O4 -","- C22 H22 O4 -","- C44 H44 O8 -","2","1","","Chaumont, Clément; Mobian, Pierre; Kyritsakas, Nathalie; Henry, Marc","Synthesis, topology and energy analysis of crystalline resorcinol-based oligophenylene molecules with various symmetries","CrystEngComm","2013","15","34","6845","","10.1039/c3ce40761f","","","0.71073","MoKα","","0.0538","0.0424","","","0.1159","0.1246","","","","","","1.035","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210837","12.0986","0.0004","20.2849","0.0005","11.2091","0.0003","90","","98.449","0.001","90","","2721.07","0.13","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 O9 -","- C30 H32 O9 -","- C120 H128 O36 -","4","1","","Chaumont, Clément; Mobian, Pierre; Kyritsakas, Nathalie; Henry, Marc","Synthesis, topology and energy analysis of crystalline resorcinol-based oligophenylene molecules with various symmetries","CrystEngComm","2013","15","34","6845","","10.1039/c3ce40761f","","","0.71073","MoKα","","0.0753","0.0472","","","0.1236","0.1403","","","","","","1.001","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210838","13.0066","0.0005","8.3251","0.0003","8.5054","0.0003","90","","106.143","0.002","90","","884.66","0.06","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 O4 -","- C22 H22 O4 -","- C44 H44 O8 -","2","0.5","","Chaumont, Clément; Mobian, Pierre; Kyritsakas, Nathalie; Henry, Marc","Synthesis, topology and energy analysis of crystalline resorcinol-based oligophenylene molecules with various symmetries","CrystEngComm","2013","15","34","6845","","10.1039/c3ce40761f","","","0.71073","MoKα","","0.0607","0.0457","","","0.1384","0.1595","","","","","","1.078","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210839","10.6996","0.0004","10.814","0.0004","11.0347","0.0004","84.07","0.002","89.396","0.002","87.954","0.002","1269.1","0.08","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H30 O6 -","- C30 H30 O6 -","- C60 H60 O12 -","2","1","","Chaumont, Clément; Mobian, Pierre; Kyritsakas, Nathalie; Henry, Marc","Synthesis, topology and energy analysis of crystalline resorcinol-based oligophenylene molecules with various symmetries","CrystEngComm","2013","15","34","6845","","10.1039/c3ce40761f","","","0.71073","MoKα","","0.0821","0.0512","","","0.1377","0.1573","","","","","","1.053","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210840","27.539","0.002","7.4754","0.0004","25.6914","0.0019","90","","90","","90","","5289","0.6","173","2","173","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C57 H52 O8 -","- C57 H52 O8 -","- C228 H208 O32 -","4","0.5","","Chaumont, Clément; Mobian, Pierre; Kyritsakas, Nathalie; Henry, Marc","Synthesis, topology and energy analysis of crystalline resorcinol-based oligophenylene molecules with various symmetries","CrystEngComm","2013","15","34","6845","","10.1039/c3ce40761f","","","0.71073","MoKα","","0.1466","0.0801","","","0.1819","0.2031","","","","","","1.002","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210841","4.97","0.0002","7.437","0.0003","7.9748","0.0004","85.355","0.002","82.615","0.002","75.241","0.002","282.32","0.02","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H14 O6 -","- C12 H14 O6 -","- C12 H14 O6 -","1","0.5","","Chaumont, Clément; Mobian, Pierre; Kyritsakas, Nathalie; Henry, Marc","Synthesis, topology and energy analysis of crystalline resorcinol-based oligophenylene molecules with various symmetries","CrystEngComm","2013","15","34","6845","","10.1039/c3ce40761f","","","0.71073","MoKα","","0.0511","0.0454","","","0.133","0.1396","","","","","","1.06","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210842","15.6242","0.0012","8.155","0.0006","8.4742","0.0006","90","","96.557","0.002","90","","1072.68","0.14","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 O4 -","- C28 H26 O4 -","- C56 H52 O8 -","2","0.5","","Chaumont, Clément; Mobian, Pierre; Kyritsakas, Nathalie; Henry, Marc","Synthesis, topology and energy analysis of crystalline resorcinol-based oligophenylene molecules with various symmetries","CrystEngComm","2013","15","34","6845","","10.1039/c3ce40761f","","","0.71073","MoKα","","0.0857","0.0517","","","0.132","0.1517","","","","","","1.045","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210843","28.1955","0.0019","14.1957","0.001","33.3812","0.0017","90","","135.955","0.003","90","","9288.9","1.1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C85 H58 Mn7 N13 O50 -","- C85 H58 Mn7 N13 O50 -","- C340 H232 Mn28 N52 O200 -","4","0.5","","Yang, Yuting; Tu, Changzheng; Cheng, Feixiang; Wang, Fan","Syntheses, structures, and magnetic properties of a series of Mn-containing coordination polymers based on 5-nitro-1,2,3-benzenetricarboxylic acid and different N-donor ligands","CrystEngComm","2013","15","35","7121","","10.1039/c3ce40772a","","","0.71073","MoKα","","0.0617","0.0418","","","0.1133","0.1286","","","","","","1.033","","","","has coordinates,has disorder","180439","2020-10-21","18:00:00",""
"7210844","12.273","0.008","13.134","0.008","15.83","0.009","95.556","0.011","94.659","0.006","107.71","0.01","2403","3","386","2","386","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H29 Mn4 N9 O27 -","- C42 H29 Mn4 N9 O27 -","- C84 H58 Mn8 N18 O54 -","2","1","","Yang, Yuting; Tu, Changzheng; Cheng, Feixiang; Wang, Fan","Syntheses, structures, and magnetic properties of a series of Mn-containing coordination polymers based on 5-nitro-1,2,3-benzenetricarboxylic acid and different N-donor ligands","CrystEngComm","2013","15","35","7121","","10.1039/c3ce40772a","","","0.71073","MoKα","","0.0931","0.0707","","","0.1552","0.1652","","","","","","1.024","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210845","21.2387","0.001","16.0539","0.0008","14.6979","0.0007","90","","108.837","0.001","90","","4743","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H41 Mn3 N8 O25 -","- C39 H41 Mn3 N8 O25 -","- C156 H164 Mn12 N32 O100 -","4","1","","Yang, Yuting; Tu, Changzheng; Cheng, Feixiang; Wang, Fan","Syntheses, structures, and magnetic properties of a series of Mn-containing coordination polymers based on 5-nitro-1,2,3-benzenetricarboxylic acid and different N-donor ligands","CrystEngComm","2013","15","35","7121","","10.1039/c3ce40772a","","","0.71073","MoKα","","0.0501","0.0357","","","0.0928","0.1057","","","","","","1.063","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210846","9.8523","0.0007","19.5244","0.0015","19.6699","0.0015","89.715","0.002","83.058","0.002","87.776","0.002","3753.1","0.5","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H78 Cd3 N4 O18 -","- C58 H78 Cd3 N4 O18 -","- C116 H156 Cd6 N8 O36 -","2","1","","Chaudhari, Abhijeet K.; Mukherjee, Soumya; Nagarkar, Sanjog S.; Joarder, Biplab; Ghosh, Sujit K.","Bi-porous metal‒organic framework with hydrophilic and hydrophobic channels: selective gas sorption and reversible iodine uptake studies","CrystEngComm","2013","15","45","9465","","10.1039/c3ce40795k","","","0.71073","MoKα","","0.1223","0.0993","","","0.292","0.3074","","","","","","1.221","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210847","11.552","0.005","14.116","0.006","10.387","0.004","90","","96.412","0.007","90","","1683.2","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Ag4 N4 O6 S2 -","- C10 H8 Ag4 N4 O6 S2 -","- C40 H32 Ag16 N16 O24 S8 -","4","1","","Chen, Zhen; Zhang, Liangliang; Liu, Fuling; Wang, Rangming; Sun, Daofeng","Anion-controlled formation of two silver lamella frameworks based on in situ ligand reaction","CrystEngComm","2013","15","44","8877","","10.1039/c3ce40809d","","","0.71073","MoKα","","0.0402","0.0303","","","0.0813","0.0981","","","","","","1.135","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210848","10.0593","0.0019","23.506","0.005","7.2278","0.0014","90","","116.631","0.003","90","","1527.7","0.5","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Ag3 Cl N2 O4 S2 -","- C10 H8 Ag3 Cl N2 O4 S2 -","- C40 H32 Ag12 Cl4 N8 O16 S8 -","4","0.5","","Chen, Zhen; Zhang, Liangliang; Liu, Fuling; Wang, Rangming; Sun, Daofeng","Anion-controlled formation of two silver lamella frameworks based on in situ ligand reaction","CrystEngComm","2013","15","44","8877","","10.1039/c3ce40809d","","","0.71073","MoKα","","0.0396","0.0296","","","0.0722","0.0782","","","","","","1.033","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210849","11.0165","0.0009","10.8877","0.0008","16.1364","0.0013","90","","104.391","0.008","90","","1874.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 N2 O4 Zn -","- C21 H21 N2 O4 Zn -","- C84 H84 N8 O16 Zn4 -","4","1","","Liu, Lu; Huang, Chao; Wang, Zhengchuang; Wu, Dongqing; Hou, Hongwei; Fan, Yaoting","Entangled Zn(ii)/Cd(ii) coordination complexes based on a flexible bis(methylbenzimidazole) ligand and different dicarboxylates","CrystEngComm","2013","15","35","7095","","10.1039/c3ce40823j","","","0.71073","MoKα","","0.1107","0.0563","","","0.0779","0.0931","","","","","","0.891","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210850","11.1621","0.0005","11.0123","0.0005","16.2424","0.0009","90","","104.843","0.005","90","","1929.9","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 Cd N2 O4 -","- C21 H21 Cd N2 O4 -","- C84 H84 Cd4 N8 O16 -","4","1","","Liu, Lu; Huang, Chao; Wang, Zhengchuang; Wu, Dongqing; Hou, Hongwei; Fan, Yaoting","Entangled Zn(ii)/Cd(ii) coordination complexes based on a flexible bis(methylbenzimidazole) ligand and different dicarboxylates","CrystEngComm","2013","15","35","7095","","10.1039/c3ce40823j","","","0.71073","MoKα","","0.036","0.0286","","","0.0692","0.0744","","","","","","1.069","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210851","9.2171","0.0018","10.278","0.002","17.086","0.005","90","","116.74","0.02","90","","1445.5","0.6","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C32 H36 N4 O5 Zn -","- C32 H36 N4 O5 Zn -","- C64 H72 N8 O10 Zn2 -","2","0.5","","Liu, Lu; Huang, Chao; Wang, Zhengchuang; Wu, Dongqing; Hou, Hongwei; Fan, Yaoting","Entangled Zn(ii)/Cd(ii) coordination complexes based on a flexible bis(methylbenzimidazole) ligand and different dicarboxylates","CrystEngComm","2013","15","35","7095","","10.1039/c3ce40823j","","","0.71073","MoKα","","0.0622","0.0518","","","0.1078","0.1143","","","","","","1.012","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210852","9.0664","0.0018","10.293","0.002","17.46","0.005","90","","115.29","0.02","90","","1473.2","0.6","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C32 H36 Cd N4 O5 -","- C32 H36 Cd N4 O5 -","- C64 H72 Cd2 N8 O10 -","2","0.5","","Liu, Lu; Huang, Chao; Wang, Zhengchuang; Wu, Dongqing; Hou, Hongwei; Fan, Yaoting","Entangled Zn(ii)/Cd(ii) coordination complexes based on a flexible bis(methylbenzimidazole) ligand and different dicarboxylates","CrystEngComm","2013","15","35","7095","","10.1039/c3ce40823j","","","0.71073","MoKα","","0.031","0.0291","","","0.0646","0.0658","","","","","","1.09","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210853","11.922","0.002","14.355","0.003","13.754","0.003","90","","100.06","0.03","90","","2317.7","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 N2 O5 Zn -","- C25 H21 N2 O5 Zn -","- C100 H84 N8 O20 Zn4 -","4","1","","Liu, Lu; Huang, Chao; Wang, Zhengchuang; Wu, Dongqing; Hou, Hongwei; Fan, Yaoting","Entangled Zn(ii)/Cd(ii) coordination complexes based on a flexible bis(methylbenzimidazole) ligand and different dicarboxylates","CrystEngComm","2013","15","35","7095","","10.1039/c3ce40823j","","","0.71073","MoKα","","0.0641","0.052","","","0.147","0.1643","","","","","","0.901","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210854","12.224","0.002","13.993","0.003","14.16","0.003","90","","99.42","0.03","90","","2389.4","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 Cd N2 O5 -","- C25 H21 Cd N2 O5 -","- C100 H84 Cd4 N8 O20 -","4","1","","Liu, Lu; Huang, Chao; Wang, Zhengchuang; Wu, Dongqing; Hou, Hongwei; Fan, Yaoting","Entangled Zn(ii)/Cd(ii) coordination complexes based on a flexible bis(methylbenzimidazole) ligand and different dicarboxylates","CrystEngComm","2013","15","35","7095","","10.1039/c3ce40823j","","","0.71073","MoKα","","0.0402","0.034","","","0.0845","0.0944","","","","","","1.163","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210855","14.083","0.003","14.906","0.003","16.326","0.003","97.91","0.03","95.29","0.03","95.71","0.03","3358.2","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H68 N8 O12 S2 Zn2 -","- C72 H68 N8 O12 S2 Zn2 -","- C144 H136 N16 O24 S4 Zn4 -","2","1","","Liu, Lu; Huang, Chao; Wang, Zhengchuang; Wu, Dongqing; Hou, Hongwei; Fan, Yaoting","Entangled Zn(ii)/Cd(ii) coordination complexes based on a flexible bis(methylbenzimidazole) ligand and different dicarboxylates","CrystEngComm","2013","15","35","7095","","10.1039/c3ce40823j","","","0.71073","MoKα","","0.1506","0.095","","","0.2391","0.2903","","","","","","0.947","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210856","19.456","0.004","22","0.004","16.095","0.003","90","","99.83","0.03","90","","6788","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H34 Cd N4 O6 S -","- C36 H34 Cd N4 O6 S -","- C288 H272 Cd8 N32 O48 S8 -","8","1","","Liu, Lu; Huang, Chao; Wang, Zhengchuang; Wu, Dongqing; Hou, Hongwei; Fan, Yaoting","Entangled Zn(ii)/Cd(ii) coordination complexes based on a flexible bis(methylbenzimidazole) ligand and different dicarboxylates","CrystEngComm","2013","15","35","7095","","10.1039/c3ce40823j","","","0.71073","MoKα","","0.1262","0.0786","","","0.1775","0.213","","","","","","0.995","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210857","10.981","0.002","10.867","0.002","16.101","0.003","90","","104.41","0.03","90","","1860.9","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 N2 O4 Zn -","- C21 H21 N2 O4 Zn -","- C84 H84 N8 O16 Zn4 -","4","1","","Liu, Lu; Huang, Chao; Wang, Zhengchuang; Wu, Dongqing; Hou, Hongwei; Fan, Yaoting","Entangled Zn(ii)/Cd(ii) coordination complexes based on a flexible bis(methylbenzimidazole) ligand and different dicarboxylates","CrystEngComm","2013","15","35","7095","","10.1039/c3ce40823j","","","0.71073","MoKα","","0.0565","0.0495","","","0.1018","0.1061","","","","","","1.066","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210858","9.2122","0.0018","10.31","0.002","17.092","0.005","90","","117.59","0.02","90","","1438.8","0.6","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C32 H36 N4 O5 Zn -","- C32 H36 N4 O5 Zn -","- C64 H72 N8 O10 Zn2 -","2","0.5","","Liu, Lu; Huang, Chao; Wang, Zhengchuang; Wu, Dongqing; Hou, Hongwei; Fan, Yaoting","Entangled Zn(ii)/Cd(ii) coordination complexes based on a flexible bis(methylbenzimidazole) ligand and different dicarboxylates","CrystEngComm","2013","15","35","7095","","10.1039/c3ce40823j","","","0.71073","MoKα","","0.0814","0.0718","","","0.1624","0.1686","","","","","","1.164","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210859","9.0575","0.0018","10.338","0.002","17.427","0.005","90","","115.35","0.02","90","","1474.7","0.6","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C32 H36 Cd N4 O5 -","- C32 H36 Cd N4 O5 -","- C64 H72 Cd2 N8 O10 -","2","0.5","","Liu, Lu; Huang, Chao; Wang, Zhengchuang; Wu, Dongqing; Hou, Hongwei; Fan, Yaoting","Entangled Zn(ii)/Cd(ii) coordination complexes based on a flexible bis(methylbenzimidazole) ligand and different dicarboxylates","CrystEngComm","2013","15","35","7095","","10.1039/c3ce40823j","","","0.71073","MoKα","","0.0538","0.0514","","","0.1109","0.1123","","","","","","1.132","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210860","11.936","0.002","14.277","0.003","13.726","0.003","90","","99.86","0.03","90","","2304.5","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 N2 O5 Zn -","- C25 H21 N2 O5 Zn -","- C100 H84 N8 O20 Zn4 -","4","1","","Liu, Lu; Huang, Chao; Wang, Zhengchuang; Wu, Dongqing; Hou, Hongwei; Fan, Yaoting","Entangled Zn(ii)/Cd(ii) coordination complexes based on a flexible bis(methylbenzimidazole) ligand and different dicarboxylates","CrystEngComm","2013","15","35","7095","","10.1039/c3ce40823j","","","0.71073","MoKα","","0.0692","0.0625","","","0.1386","0.1432","","","","","","1.006","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210861","12.241","0.002","14.012","0.003","14.167","0.003","90","","99.53","0.03","90","","2396.4","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 Cd N2 O5 -","- C25 H21 Cd N2 O5 -","- C100 H84 Cd4 N8 O20 -","4","1","","Liu, Lu; Huang, Chao; Wang, Zhengchuang; Wu, Dongqing; Hou, Hongwei; Fan, Yaoting","Entangled Zn(ii)/Cd(ii) coordination complexes based on a flexible bis(methylbenzimidazole) ligand and different dicarboxylates","CrystEngComm","2013","15","35","7095","","10.1039/c3ce40823j","","","0.71073","MoKα","","0.0705","0.0539","","","0.1002","0.1105","","","","","","0.991","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210862","21.83","0.014","21.83","0.014","52.55","0.04","90","","90","","120","","21688","3","223","2","223","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C72 H214 Cl2 N48 O95 Rb2 -","- C72 H72 Cl2.002 N48 O25 Rb2 -","- C432 H432 Cl12.012 N288 O150 Rb12 -","6","0.333333","","Ji, Ning-Ning; Cheng, Xiao-Jie; Liang, Li-Li; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Zhu, Qian-Jiang","The synthesis of networks based on the coordination of cucurbit[8]urils and alkali or alkaline earth ions in the presence of the polychloride transition-metal anions","CrystEngComm","2013","15","38","7709","","10.1039/c3ce40840j","","","0.71073","MoKα","","0.1603","0.0845","","","0.2539","0.2826","","","","","","0.959","","","","has coordinates,has disorder","180439","2020-10-21","18:00:00",""
"7210863","21.7553","0.0014","21.7553","0.0014","52.07","0.004","90","","90","","120","","21343","3","223","2","223","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C72 H210 Cl2 N48 O93 Rb2 -","- C72 H72 Cl2.002 N48 O25 Rb2 -","- C432 H432 Cl12.012 N288 O150 Rb12 -","6","0.333333","","Ji, Ning-Ning; Cheng, Xiao-Jie; Liang, Li-Li; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Zhu, Qian-Jiang","The synthesis of networks based on the coordination of cucurbit[8]urils and alkali or alkaline earth ions in the presence of the polychloride transition-metal anions","CrystEngComm","2013","15","38","7709","","10.1039/c3ce40840j","","","0.71073","MoKα","","0.1165","0.0708","","","0.212","0.2347","","","","","","0.951","","","","has coordinates,has disorder","180439","2020-10-21","18:00:00",""
"7210864","21.755","0.005","21.755","0.005","52.173","0.009","90","","90","","120","","21384","8","223","2","223","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C72 H212 Cl2 N48 O94 Rb2 -","- C72 H72 Cl1.999 N48 O25 Rb2 -","- C432 H432 Cl11.994 N288 O150 Rb12 -","6","0.333333","","Ji, Ning-Ning; Cheng, Xiao-Jie; Liang, Li-Li; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Zhu, Qian-Jiang","The synthesis of networks based on the coordination of cucurbit[8]urils and alkali or alkaline earth ions in the presence of the polychloride transition-metal anions","CrystEngComm","2013","15","38","7709","","10.1039/c3ce40840j","","","0.71073","MoKα","","0.1237","0.0654","","","0.1793","0.1966","","","","","","0.906","","","","has coordinates,has disorder","180439","2020-10-21","18:00:00",""
"7210865","21.879","0.008","21.879","0.008","52.67","0.04","90","","90","","120","","21835","2","223","2","223","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C144 H436 Cl4 N96 O194 Rb4 -","- C144 H144 Cl4 N96 O50 Rb4 -","- C432 H432 Cl12 N288 O150 Rb12 -","3","0.166667","","Ji, Ning-Ning; Cheng, Xiao-Jie; Liang, Li-Li; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Zhu, Qian-Jiang","The synthesis of networks based on the coordination of cucurbit[8]urils and alkali or alkaline earth ions in the presence of the polychloride transition-metal anions","CrystEngComm","2013","15","38","7709","","10.1039/c3ce40840j","","","0.71073","MoKα","","0.1532","0.0894","","","0.244","0.264","","","","","","0.915","","","","has coordinates","211691","2020-10-21","18:00:00",""
"7210866","22.174","0.003","22.174","0.003","18.102","0.005","90","","90","","120","","7708","3","223","2","223","2","","","","","","","","7","P -3","-P 3","147","","","","- C144 H380 Cl24 In6 N96 Na2 O164 -","- C144 H144 Cl24 In6 N96 Na2 O66 -","- C144 H144 Cl24 In6 N96 Na2 O66 -","1","0.166667","","Ji, Ning-Ning; Cheng, Xiao-Jie; Liang, Li-Li; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Zhu, Qian-Jiang","The synthesis of networks based on the coordination of cucurbit[8]urils and alkali or alkaline earth ions in the presence of the polychloride transition-metal anions","CrystEngComm","2013","15","38","7709","","10.1039/c3ce40840j","","","0.71073","MoKα","","0.0983","0.0603","","","0.1701","0.1829","","","","","","0.94","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210867","18.733","0.006","21.701","0.007","22.301","0.007","118.963","0.004","90.299","0.005","104.709","0.005","7584","4","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C144 H446 Cl8 N96 O199 Sr4 -","- C144 H144 Cl8 N96 O70 Sr4 -","- C144 H144 Cl8 N96 O70 Sr4 -","1","0.5","","Ji, Ning-Ning; Cheng, Xiao-Jie; Liang, Li-Li; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Zhu, Qian-Jiang","The synthesis of networks based on the coordination of cucurbit[8]urils and alkali or alkaline earth ions in the presence of the polychloride transition-metal anions","CrystEngComm","2013","15","38","7709","","10.1039/c3ce40840j","","","0.71073","MoKα","","0.1384","0.0835","","","0.2258","0.2491","","","","","","0.968","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210868","20.0954","0.0003","29.8975","0.0005","24.9908","0.0004","90","","110.867","0.002","90","","14029.7","0.4","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C217.5 H259.5 Cl20 Cu10 N56.5 O30.5 -","- C217.5 H259.5 Cl20 Cu10 N56.5 O30.5 -","- C435 H519 Cl40 Cu20 N113 O61 -","2","1","","Zhang, Lu-Yin; Liu, Yu; Li, Kang; Pan, Mei; Yan, Cheng; Wei, Shi-Chao; Chen, Yong-Xin; Su, Cheng-Yong","Formation of 0D M5L2 helicate cage and 1D loop-and-chain complexes: stepwise assembly and catalytic activity","CrystEngComm","2013","15","35","7106","","10.1039/c3ce40845k","","","1.54178","CuKα","","0.1028","0.074","","","0.1983","0.2182","","","","","","1.011","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7210869","12.6625","0.0007","12.7389","0.0007","15.6693","0.0007","91.249","0.004","102.326","0.004","108.969","0.005","2323.8","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H80 Cl16 Cu5 N20 O4 -","- C88 H80 Cl16 Cu5 N20 O4 -","- C88 H80 Cl16 Cu5 N20 O4 -","1","0.5","","Zhang, Lu-Yin; Liu, Yu; Li, Kang; Pan, Mei; Yan, Cheng; Wei, Shi-Chao; Chen, Yong-Xin; Su, Cheng-Yong","Formation of 0D M5L2 helicate cage and 1D loop-and-chain complexes: stepwise assembly and catalytic activity","CrystEngComm","2013","15","35","7106","","10.1039/c3ce40845k","","","1.54178","CuKα","","0.073","0.065","","","0.1822","0.1913","","","","","","1.022","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210870","4.697","0.0008","9.949","0.0014","15.105","0.002","103.05","0.012","92.105","0.013","96.701","0.013","681.48","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H13 Co N O7 -","- C14 H13 Co N O7 -","- C28 H26 Co2 N2 O14 -","2","1","","Xu, Na; Yang, Jin; He, Yuan-Chun; Liu, Ying-Ying; Ma, Jian-Fang","Syntheses, structures, luminescent sensor, and magnetism of a series of coordination polymers constructed by 3-carboxy-1-(4′-carboxy-benzyl)-2-oxidopyridinium","CrystEngComm","2013","15","36","7360","","10.1039/c3ce40850g","","","0.71069","MoKα","","0.1116","0.0625","","","0.0896","0.1133","","","","","","1.087","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210871","4.911","0.0002","29.757","0.0011","10.197","0.0004","90","","103.639","0.004","90","","1448.13","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N Ni O8 -","- C14 H11 N Ni O8 -","- C56 H44 N4 Ni4 O32 -","4","1","","Xu, Na; Yang, Jin; He, Yuan-Chun; Liu, Ying-Ying; Ma, Jian-Fang","Syntheses, structures, luminescent sensor, and magnetism of a series of coordination polymers constructed by 3-carboxy-1-(4′-carboxy-benzyl)-2-oxidopyridinium","CrystEngComm","2013","15","36","7360","","10.1039/c3ce40850g","","","0.71069","MoKα","","0.0695","0.0651","","","0.1665","0.1683","","","","","","1.251","","","","has coordinates,has disorder","180439","2020-10-21","18:00:00",""
"7210872","8.413","0.0012","5.334","0.0007","13.284","0.0014","90","","97.52","0.013","90","","590.99","0.13","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H9 Cu N O5 -","- C14 H9 Cu N O5 -","- C28 H18 Cu2 N2 O10 -","2","1","","Xu, Na; Yang, Jin; He, Yuan-Chun; Liu, Ying-Ying; Ma, Jian-Fang","Syntheses, structures, luminescent sensor, and magnetism of a series of coordination polymers constructed by 3-carboxy-1-(4′-carboxy-benzyl)-2-oxidopyridinium","CrystEngComm","2013","15","36","7360","","10.1039/c3ce40850g","","","0.71069","MoKα","","0.0737","0.0528","","","0.0926","0.106","","","","","","1.048","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210873","18.4215","0.0003","18.4215","0.0003","47.8464","0.0014","90","","90","","120","","14061.4","0.5","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C14 H10 Cd N O5.5 -","- C14 H9 Cd N O5.49667 -","- C504 H324 Cd36 N36 O197.88 -","36","1","","Xu, Na; Yang, Jin; He, Yuan-Chun; Liu, Ying-Ying; Ma, Jian-Fang","Syntheses, structures, luminescent sensor, and magnetism of a series of coordination polymers constructed by 3-carboxy-1-(4′-carboxy-benzyl)-2-oxidopyridinium","CrystEngComm","2013","15","36","7360","","10.1039/c3ce40850g","","","0.71073","MoKα","","0.0681","0.0417","","","0.1038","0.1209","","","","","","1.127","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7210874","18.263","0.0014","18.263","0.0014","47.393","0.003","90","","90","","120","","13689.5","1.7","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C14 H10 Mn N O5.5 -","- C14 H9 Mn N O5.5 -","- C504 H324 Mn36 N36 O198 -","36","1","","Xu, Na; Yang, Jin; He, Yuan-Chun; Liu, Ying-Ying; Ma, Jian-Fang","Syntheses, structures, luminescent sensor, and magnetism of a series of coordination polymers constructed by 3-carboxy-1-(4′-carboxy-benzyl)-2-oxidopyridinium","CrystEngComm","2013","15","36","7360","","10.1039/c3ce40850g","","","0.71069","MoKα","","0.1583","0.0781","","","0.1788","0.2293","","","","","","1.062","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7210875","14.843","0.0004","9.53","0.0003","12.658","0.0004","90","","103.631","0.003","90","","1740.09","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H30 Cu2 N4 O12 -","- C38 H30 Cu2 N4 O12 -","- C76 H60 Cu4 N8 O24 -","2","0.5","","Xu, Na; Yang, Jin; He, Yuan-Chun; Liu, Ying-Ying; Ma, Jian-Fang","Syntheses, structures, luminescent sensor, and magnetism of a series of coordination polymers constructed by 3-carboxy-1-(4′-carboxy-benzyl)-2-oxidopyridinium","CrystEngComm","2013","15","36","7360","","10.1039/c3ce40850g","","","0.71069","MoKα","","0.0456","0.0349","","","0.0899","0.0967","","","","","","1.044","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210876","7.916","0.0006","9.847","0.0006","12.377","0.0009","103.997","0.006","94.233","0.006","107.48","0.006","881.65","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H30 Cd2 N4 O12 -","- C38 H30 Cd2 N4 O12 -","- C38 H30 Cd2 N4 O12 -","1","0.5","","Xu, Na; Yang, Jin; He, Yuan-Chun; Liu, Ying-Ying; Ma, Jian-Fang","Syntheses, structures, luminescent sensor, and magnetism of a series of coordination polymers constructed by 3-carboxy-1-(4′-carboxy-benzyl)-2-oxidopyridinium","CrystEngComm","2013","15","36","7360","","10.1039/c3ce40850g","","","0.71069","MoKα","","0.0757","0.0486","","","0.0628","0.0734","","","","","","1.011","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210877","8.229","0.0004","9.735","0.0005","14.83","0.0008","89.604","0.004","76.115","0.004","65.898","0.005","1047.18","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H19 Mn N3 O6 -","- C24 H19 Mn N3 O6 -","- C48 H38 Mn2 N6 O12 -","2","1","","Xu, Na; Yang, Jin; He, Yuan-Chun; Liu, Ying-Ying; Ma, Jian-Fang","Syntheses, structures, luminescent sensor, and magnetism of a series of coordination polymers constructed by 3-carboxy-1-(4′-carboxy-benzyl)-2-oxidopyridinium","CrystEngComm","2013","15","36","7360","","10.1039/c3ce40850g","","","0.71069","MoKα","","0.0618","0.0412","","","0.0838","0.0974","","","","","","1.024","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210878","29.716","0.006","18.584","0.004","22.937","0.005","90","","109.3","0.03","90","","11955","5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C129 H155 Cd3 N3 O25 -","- C129 H151 Cd3 N3 O25 -","- C516 H604 Cd12 N12 O100 -","4","1","","Wang, Lian-Cheng; Sun, Junliang; Huang, Zhi-Tang; Zheng, Qi-Yu","Stepwise tuning of the substituent groups from mother BTB ligands to two hexaphenylbenzene based ligands for construction of diverse coordination polymers","CrystEngComm","2013","15","42","8511","","10.1039/c3ce40856f","","","0.71073","MoKα","","0.0664","0.0605","","","0.1382","0.1418","","","","","","1.126","","","","has coordinates,has disorder","180439","2020-10-21","18:00:00",""
"7210879","14.063","0.003","28.085","0.006","15.736","0.003","90","","109.45","0.03","90","","5860","2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H73 Cd N O10 -","- C59 H57 Cd O7 -","- C236 H228 Cd4 O28 -","4","1","","Wang, Lian-Cheng; Sun, Junliang; Huang, Zhi-Tang; Zheng, Qi-Yu","Stepwise tuning of the substituent groups from mother BTB ligands to two hexaphenylbenzene based ligands for construction of diverse coordination polymers","CrystEngComm","2013","15","42","8511","","10.1039/c3ce40856f","","","0.71073","MoKα","","0.0616","0.0531","","","0.1304","0.1373","","","","","","1.106","","","","has coordinates,has disorder","180439","2020-10-21","18:00:00",""
"7210880","31.277","0.006","17.558","0.004","23.629","0.005","90","","110.54","0.03","90","","12151","5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C131 H157 Co3 N5 O25 -","- C131 H154 Co3 N5 O25 -","- C524 H616 Co12 N20 O100 -","4","1","","Wang, Lian-Cheng; Sun, Junliang; Huang, Zhi-Tang; Zheng, Qi-Yu","Stepwise tuning of the substituent groups from mother BTB ligands to two hexaphenylbenzene based ligands for construction of diverse coordination polymers","CrystEngComm","2013","15","42","8511","","10.1039/c3ce40856f","","","0.71073","MoKα","","0.1067","0.0972","","","0.2416","0.2489","","","","","","1.147","","","","has coordinates,has disorder","180439","2020-10-21","18:00:00",""
"7210881","32.199","0.004","17.4926","0.0019","23.786","0.003","90","","115.27","0.02","90","","12115","3","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C130 H152 Mn3 N4 O23 -","- C126 H140 Mn3 N4 O22 -","- C504 H560 Mn12 N16 O88 -","4","1","","Wang, Lian-Cheng; Sun, Junliang; Huang, Zhi-Tang; Zheng, Qi-Yu","Stepwise tuning of the substituent groups from mother BTB ligands to two hexaphenylbenzene based ligands for construction of diverse coordination polymers","CrystEngComm","2013","15","42","8511","","10.1039/c3ce40856f","","","0.71073","MoKα","","0.0806","0.0722","","","0.1723","0.1808","","","","","","1.001","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210882","11.737","0.002","17.132","0.003","30.875","0.006","94.26","0.03","95.75","0.03","100.9","0.03","6038","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C134 H156 N4 O22 Zn4 -","- C134 H154 N4 O22 Zn4 -","- C268 H308 N8 O44 Zn8 -","2","1","","Wang, Lian-Cheng; Sun, Junliang; Huang, Zhi-Tang; Zheng, Qi-Yu","Stepwise tuning of the substituent groups from mother BTB ligands to two hexaphenylbenzene based ligands for construction of diverse coordination polymers","CrystEngComm","2013","15","42","8511","","10.1039/c3ce40856f","","","0.71073","MoKα","","0.0691","0.0624","","","0.1449","0.1483","","","","","","1.098","","","","has coordinates,has disorder","180439","2020-10-21","18:00:00",""
"7210883","16.765","0.003","28.419","0.006","11.636","0.002","90","","99.94","0.03","90","","5460.7","1.8","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C57 H58 Cl N3 O11 Zn2 -","- C57 H38 Cl N3 O11 Zn2 -","- C228 H152 Cl4 N12 O44 Zn8 -","4","0.5","","Wang, Lian-Cheng; Sun, Junliang; Huang, Zhi-Tang; Zheng, Qi-Yu","Stepwise tuning of the substituent groups from mother BTB ligands to two hexaphenylbenzene based ligands for construction of diverse coordination polymers","CrystEngComm","2013","15","42","8511","","10.1039/c3ce40856f","","","0.71073","MoKα","","0.1206","0.1095","","","0.2682","0.2819","","","","","","1.161","","","","has coordinates,has disorder","180439","2020-10-21","18:00:00",""
"7210884","24.585","0.005","13.726","0.002","23.486","0.004","90","","95.409","0.007","90","","7890","2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C86 H74 Co3 N12 O18 -","- C86 H60 Co3 N12 O18 -","- C344 H240 Co12 N48 O72 -","4","0.5","","Zhao, Wen; Han, Jie; Tian, Ge; Zhao, Xiao-Li","Ancillary ligand-assisted structural diversity of six new MOFs with 5-(4-carboxybenzoylamino)-isophthalic acid: syntheses, crystal structures and photoluminescence properties","CrystEngComm","2013","15","37","7522","","10.1039/c3ce40858b","","","0.71073","MoKα","","0.0737","0.0466","","","0.1151","0.1328","","","","","","1.019","","","","has coordinates,has disorder","180439","2020-10-21","18:00:00",""
"7210885","24.1977","0.0017","13.9528","0.001","25.1006","0.0018","90","","96.677","0.002","90","","8417.1","1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C80 H62 Cd3 N10 O17 -","- C80 H56 Cd3 N10 O17 -","- C320 H224 Cd12 N40 O68 -","4","0.5","","Zhao, Wen; Han, Jie; Tian, Ge; Zhao, Xiao-Li","Ancillary ligand-assisted structural diversity of six new MOFs with 5-(4-carboxybenzoylamino)-isophthalic acid: syntheses, crystal structures and photoluminescence properties","CrystEngComm","2013","15","37","7522","","10.1039/c3ce40858b","","","0.71073","MoKα","","0.0795","0.0714","","","0.1775","0.1817","","","","","","1.089","","","","has coordinates,has disorder","180439","2020-10-21","18:00:00",""
"7210886","28.157","0.002","16.659","0.0012","14.5584","0.0011","90","","93.284","0.003","90","","6817.7","0.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H60 N6 O27 Zn4 -","- C56 H36 N6 O27 Zn4 -","- C224 H144 N24 O108 Zn16 -","4","0.5","","Zhao, Wen; Han, Jie; Tian, Ge; Zhao, Xiao-Li","Ancillary ligand-assisted structural diversity of six new MOFs with 5-(4-carboxybenzoylamino)-isophthalic acid: syntheses, crystal structures and photoluminescence properties","CrystEngComm","2013","15","37","7522","","10.1039/c3ce40858b","","","0.71073","MoKα","","0.0723","0.0484","","","0.1375","0.1538","","","","","","1.064","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210887","9.6563","0.0006","14.3534","0.001","15.571","0.001","87.588","0.002","74.823","0.002","85.179","0.002","2075.1","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H66 Co7 N12 O38 -","- C84 H48 Co7 N12 O38 -","- C84 H48 Co7 N12 O38 -","1","0.5","","Zhao, Wen; Han, Jie; Tian, Ge; Zhao, Xiao-Li","Ancillary ligand-assisted structural diversity of six new MOFs with 5-(4-carboxybenzoylamino)-isophthalic acid: syntheses, crystal structures and photoluminescence properties","CrystEngComm","2013","15","37","7522","","10.1039/c3ce40858b","","","0.71073","MoKα","","0.052","0.0441","","","0.1205","0.1293","","","","","","1.046","","","","has coordinates,has disorder","180439","2020-10-21","18:00:00",""
"7210888","10.1907","0.0004","10.2746","0.0004","13.2039","0.0006","80.321","0.001","81.001","0.001","66.278","0.001","1241.64","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H18 N5 Ni O8 -","- C26 H16 N5 Ni O8 -","- C52 H32 N10 Ni2 O16 -","2","1","","Zhao, Wen; Han, Jie; Tian, Ge; Zhao, Xiao-Li","Ancillary ligand-assisted structural diversity of six new MOFs with 5-(4-carboxybenzoylamino)-isophthalic acid: syntheses, crystal structures and photoluminescence properties","CrystEngComm","2013","15","37","7522","","10.1039/c3ce40858b","","","0.71073","MoKα","","0.0462","0.0386","","","0.0988","0.1069","","","","","","1.068","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210889","8.0093","0.0008","9.0265","0.0009","22.4","0.002","86.845","0.004","85.477","0.004","68.016","0.003","1496.4","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H29 N4 O11 Zn -","- C31 H21 N4 O11 Zn -","- C62 H42 N8 O22 Zn2 -","2","1","","Zhao, Wen; Han, Jie; Tian, Ge; Zhao, Xiao-Li","Ancillary ligand-assisted structural diversity of six new MOFs with 5-(4-carboxybenzoylamino)-isophthalic acid: syntheses, crystal structures and photoluminescence properties","CrystEngComm","2013","15","37","7522","","10.1039/c3ce40858b","","","0.71073","MoKα","","0.1568","0.0757","","","0.1678","0.218","","","","","","1.008","","","","has coordinates,has disorder","180439","2020-10-21","18:00:00",""
"7210890","20.048","0.004","12.245","0.002","29.217","0.006","90","","108.84","0.03","90","","6788","3","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H30 Cd N5 O6 -","- C39 H30 Cd N5 O6 -","- C312 H240 Cd8 N40 O48 -","8","1","","Liu, Gui-lei; Li, Hui","Auxiliary ligand-controlled supramolecular assembly of three Cd(ii) coordination polymers based on a (E)-3-(quinolin-4-yl) acrylic acid: syntheses, structures and photoluminescent properties","CrystEngComm","2013","15","34","6870","","10.1039/c3ce40864g","","","0.71073","MoKα","","0.1305","0.1142","","","0.2314","0.239","","","","","","1.186","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210891","15.5371","0.0006","15.4888","0.0006","9.0606","0.0004","90","","92.877","0.001","90","","2177.69","0.15","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Cd N2 O5 -","- C24 H18 Cd N2 O5 -","- C96 H72 Cd4 N8 O20 -","4","1","","Liu, Gui-lei; Li, Hui","Auxiliary ligand-controlled supramolecular assembly of three Cd(ii) coordination polymers based on a (E)-3-(quinolin-4-yl) acrylic acid: syntheses, structures and photoluminescent properties","CrystEngComm","2013","15","34","6870","","10.1039/c3ce40864g","","","0.71073","MoKα","","0.0332","0.0236","","","0.0506","0.0554","","","","","","1.029","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210892","24.217","0.013","11.868","0.007","10.137","0.006","90","","102.156","0.008","90","","2848","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H24 Cd N4 O4 -","- C34 H24 Cd N4 O4 -","- C136 H96 Cd4 N16 O16 -","4","0.5","","Liu, Gui-lei; Li, Hui","Auxiliary ligand-controlled supramolecular assembly of three Cd(ii) coordination polymers based on a (E)-3-(quinolin-4-yl) acrylic acid: syntheses, structures and photoluminescent properties","CrystEngComm","2013","15","34","6870","","10.1039/c3ce40864g","","","0.71073","MoKα","","0.051","0.0458","","","0.1135","0.1186","","","","","","1.041","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210893","7.711","0.003","8.959","0.003","9.103","0.003","88.46","0.005","88.793","0.004","74.567","0.005","605.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H10 N4 O8 Zn2 -","- C9 H8 N4 O7 Zn2 -","- C18 H16 N8 O14 Zn4 -","2","1","","Calahorro, Antonio J.; Salinas-Castillo, Alfonso; Seco, José Manuel; Zuñiga, Javier; Colacio, Enrique; Rodríguez-Diéguez, Antonio","Luminescence and magnetic properties of three metal‒organic frameworks based on the 5-(1H-tetrazol-5-yl)isophthalic acid ligand","CrystEngComm","2013","15","38","7636","","10.1039/c3ce40869h","","","0.71069","MoKα","","0.0535","0.0415","","","0.1011","0.1098","","","","","","1.033","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210894","13.739","0.002","24.301","0.003","15.179","0.002","90","","90","","90","","5067.8","1.2","120","1","120","1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C27 H46 Co8 N18 O33 -","- C27 H9 Co8 N18 O25 -","- C108 H36 Co32 N72 O100 -","4","0.5","","Calahorro, Antonio J.; Salinas-Castillo, Alfonso; Seco, José Manuel; Zuñiga, Javier; Colacio, Enrique; Rodríguez-Diéguez, Antonio","Luminescence and magnetic properties of three metal‒organic frameworks based on the 5-(1H-tetrazol-5-yl)isophthalic acid ligand","CrystEngComm","2013","15","38","7636","","10.1039/c3ce40869h","","","0.71069","MoKα","","0.2517","0.0827","","","0.2059","0.2383","","","","","","0.581","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210895","14.061","0.006","5.039","0.002","19.598","0.008","90","","102.641","0.008","90","","1354.9","1","30","","30","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H9 N3 O8 -","- C13 H9 N3 O8 -","- C52 H36 N12 O32 -","4","1","","Ford, Samantha J.; McIntyre, Garry J.; Johnson, Mark R.; Evans, Ivana Radosavljević","Structure and dynamics studies of the short strong hydrogen bond in the 3,5-dinitrobenzoic acid‒nicotinic acid molecular complex","CrystEngComm","2013","15","37","7576","","10.1039/c3ce40874d","","neutron","","thermalneutrons","","0.1958","0.0877","","","0.1417","0.1666","","","","","","1.089","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210896","14.061","0.006","5.039","0.002","19.598","0.008","90","","102.641","0.008","90","","1354.9","1","300","","300","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H9 N3 O8 -","- C13 H9 N3 O8 -","- C52 H36 N12 O32 -","4","1","","Ford, Samantha J.; McIntyre, Garry J.; Johnson, Mark R.; Evans, Ivana Radosavljević","Structure and dynamics studies of the short strong hydrogen bond in the 3,5-dinitrobenzoic acid‒nicotinic acid molecular complex","CrystEngComm","2013","15","37","7576","","10.1039/c3ce40874d","","neutron","","thermalneutrons","","0.2548","0.0823","","","0.1166","0.1566","","","","","","0.964","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210897","6.0867","0.0002","31.3792","0.0008","8.2848","0.0002","90","","108.618","0.001","90","","1499.55","0.07","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- H19 Na3 O16 P2 -","- H19 Na3 O16 P2 -","- H76 Na12 O64 P8 -","4","1","","Perras, Frédéric A.; Korobkov, Ilia; Bryce, David L.","NMR crystallography of sodium diphosphates: combining dipolar, shielding, quadrupolar, diffraction, and computational information","CrystEngComm","2013","15","43","8727","","10.1039/c3ce40875b","","","0.71073","MoKα","","0.0265","0.0255","","","0.0739","0.0746","","","","","","1.01","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210898","22.241","0.005","8.9299","0.0018","21.092","0.004","90","","116.253","0.007","90","","3757","1.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H19 Cu N3 O5 -","- C19 H19 Cu N3 O5 -","- C152 H152 Cu8 N24 O40 -","8","1","","Qiblawi, Sultan H.; Pochodylo, Amy L.; LaDuca, Robert L.","Divalent copper trans-1,4-cyclohexanedicarboxylate coordination polymers with isomeric dipyridylamide ligands: new pillared and self-penetrated binodal networks","CrystEngComm","2013","15","44","8979","","10.1039/c3ce40889b","","","0.71073","MoKα","","0.0529","0.0357","","","0.0717","0.0781","","","","","","1.016","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210899","10.3498","0.0007","10.8338","0.0008","20.2124","0.0015","84.101","0.001","78.486","0.001","76.172","0.001","2152.8","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H50 Cu2 N6 O16 -","- C38 H50 Cu2 N6 O16 -","- C76 H100 Cu4 N12 O32 -","2","1","","Qiblawi, Sultan H.; Pochodylo, Amy L.; LaDuca, Robert L.","Divalent copper trans-1,4-cyclohexanedicarboxylate coordination polymers with isomeric dipyridylamide ligands: new pillared and self-penetrated binodal networks","CrystEngComm","2013","15","44","8979","","10.1039/c3ce40889b","","","0.71073","MoKα","","0.0405","0.0329","","","0.0849","0.0896","","","","","","1.051","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210900","8.3395","0.0002","15.7388","0.0004","12.694","0.0004","90","","105.565","0.001","90","","1605.03","0.08","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H28 N8 O10 Zn2 -","- C30 H28 N8 O10 Zn2 -","- C60 H56 N16 O20 Zn4 -","2","1","","Sengupta, Satirtha; Ganguly, Sumi; Goswami, Arijit; Sukul, Pradip K.; Mondal, Raju","Identification of a robust and reproducible noncluster-type SBU: effect of coexistent groups on network topologies, helicity, and properties","CrystEngComm","2013","15","41","8353","","10.1039/c3ce40904j","","","0.71073","MoKα","","0.0401","0.0339","","","0.0782","0.0813","","","","","","1.045","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210901","9.4798","0.0012","10.1009","0.0012","11.1659","0.0014","96.353","0.006","111.398","0.005","99.654","0.005","964","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H19 N5 O6 Zn -","- C18 H19 N5 O6 Zn -","- C36 H38 N10 O12 Zn2 -","2","1","","Sengupta, Satirtha; Ganguly, Sumi; Goswami, Arijit; Sukul, Pradip K.; Mondal, Raju","Identification of a robust and reproducible noncluster-type SBU: effect of coexistent groups on network topologies, helicity, and properties","CrystEngComm","2013","15","41","8353","","10.1039/c3ce40904j","","","0.71073","MoKα","","0.0827","0.0576","","","0.1523","0.169","","","","","","1.041","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210902","9.3228","0.0004","14.8745","0.0006","12.8792","0.0005","90","","102.712","0.002","90","","1742.21","0.12","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 N4 O6 Zn -","- C16 H16 N4 O6 Zn -","- C64 H64 N16 O24 Zn4 -","4","1","","Sengupta, Satirtha; Ganguly, Sumi; Goswami, Arijit; Sukul, Pradip K.; Mondal, Raju","Identification of a robust and reproducible noncluster-type SBU: effect of coexistent groups on network topologies, helicity, and properties","CrystEngComm","2013","15","41","8353","","10.1039/c3ce40904j","","","0.71073","MoKα","","0.0633","0.0373","","","0.0961","0.1052","","","","","","1.068","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210903","8.4157","0.0005","16.7161","0.001","13.1197","0.0007","90","","90.98","0.002","90","","1845.38","0.18","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 N4 O5 Zn -","- C17 H18 N4 O5 Zn -","- C68 H72 N16 O20 Zn4 -","4","1","","Sengupta, Satirtha; Ganguly, Sumi; Goswami, Arijit; Sukul, Pradip K.; Mondal, Raju","Identification of a robust and reproducible noncluster-type SBU: effect of coexistent groups on network topologies, helicity, and properties","CrystEngComm","2013","15","41","8353","","10.1039/c3ce40904j","","","0.71073","MoKα","","0.0717","0.0439","","","0.1217","0.1346","","","","","","1.039","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210904","14.8499","0.0006","9.339","0.0004","35.7679","0.0015","90","","99.905","0.001","90","","4886.5","0.4","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H27 N4 O6 Zn -","- C25 H27 N4 O6 Zn -","- C200 H216 N32 O48 Zn8 -","8","1","","Sengupta, Satirtha; Ganguly, Sumi; Goswami, Arijit; Sukul, Pradip K.; Mondal, Raju","Identification of a robust and reproducible noncluster-type SBU: effect of coexistent groups on network topologies, helicity, and properties","CrystEngComm","2013","15","41","8353","","10.1039/c3ce40904j","","","0.71073","MoKα","","0.0748","0.0558","","","0.1247","0.131","","","","","","1.094","","","","has coordinates,has disorder","180440","2020-10-21","18:00:00",""
"7210905","8.4539","0.0005","16.364","0.001","13.255","0.0008","90","","92.011","0.002","90","","1832.56","0.19","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 Br N4 O5 Zn -","- C16 H11 Br N4 O5 Zn -","- C64 H44 Br4 N16 O20 Zn4 -","4","1","","Sengupta, Satirtha; Ganguly, Sumi; Goswami, Arijit; Sukul, Pradip K.; Mondal, Raju","Identification of a robust and reproducible noncluster-type SBU: effect of coexistent groups on network topologies, helicity, and properties","CrystEngComm","2013","15","41","8353","","10.1039/c3ce40904j","","","0.71073","MoKα","","0.0844","0.0527","","","0.16","0.1709","","","","","","1.089","","","","has coordinates,has disorder","180440","2020-10-21","18:00:00",""
"7210906","9.5734","0.0004","10.1279","0.0004","11.314","0.0005","80.503","0.001","66.394","0.001","80.43","0.001","985.31","0.07","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H17 I N4 O7 Zn -","- C15 H15 I N4 O7 Zn -","- C30 H30 I2 N8 O14 Zn2 -","2","1","","Sengupta, Satirtha; Ganguly, Sumi; Goswami, Arijit; Sukul, Pradip K.; Mondal, Raju","Identification of a robust and reproducible noncluster-type SBU: effect of coexistent groups on network topologies, helicity, and properties","CrystEngComm","2013","15","41","8353","","10.1039/c3ce40904j","","","0.71073","MoKα","","0.0472","0.0371","","","0.0923","0.0969","","","","","","1.055","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210907","12.5177","0.0005","7.5794","0.0003","15.9998","0.0006","90","","111.745","0.002","90","","1409.99","0.1","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 N6 O12 Zn2 -","- C23 H14 N6 O12 Zn2 -","- C46 H28 N12 O24 Zn4 -","2","0.5","","Sengupta, Satirtha; Ganguly, Sumi; Goswami, Arijit; Sukul, Pradip K.; Mondal, Raju","Identification of a robust and reproducible noncluster-type SBU: effect of coexistent groups on network topologies, helicity, and properties","CrystEngComm","2013","15","41","8353","","10.1039/c3ce40904j","","","0.71073","MoKα","","0.0713","0.0463","","","0.1289","0.143","","","","","","1.053","","","","has coordinates,has disorder","180440","2020-10-21","18:00:00",""
"7210908","9.361","0.003","10.108","0.003","11.47","0.004","95.845","0.012","112.739","0.01","97.487","0.012","978.6","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H34 N14 O11 Zn2 -","- C33 H22 N14 O11 Zn2 -","- C33 H22 N14 O11 Zn2 -","1","0.5","","Sengupta, Satirtha; Ganguly, Sumi; Goswami, Arijit; Sukul, Pradip K.; Mondal, Raju","Identification of a robust and reproducible noncluster-type SBU: effect of coexistent groups on network topologies, helicity, and properties","CrystEngComm","2013","15","41","8353","","10.1039/c3ce40904j","","","0.71073","MoKα","","0.0879","0.0562","","","0.1411","0.1574","","","","","","0.972","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210909","9.446","0.002","14.595","0.004","13.058","0.003","90","","99.624","0.008","90","","1774.9","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N7 O5 Zn -","- C15 H13 N7 O5 Zn -","- C60 H52 N28 O20 Zn4 -","4","1","","Sengupta, Satirtha; Ganguly, Sumi; Goswami, Arijit; Sukul, Pradip K.; Mondal, Raju","Identification of a robust and reproducible noncluster-type SBU: effect of coexistent groups on network topologies, helicity, and properties","CrystEngComm","2013","15","41","8353","","10.1039/c3ce40904j","","","0.71073","MoKα","","0.1824","0.0773","","","0.2065","0.2444","","","","","","1.172","","","","has coordinates,has disorder","180440","2020-10-21","18:00:00",""
"7210910","62.779","0.007","62.779","0.007","62.779","0.007","90","","90","","90","","247425","5","100","2","100","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C23 H17 N O10 Zn2 -","- C21 H9 O10 Zn2 -","- C4032 H1728 O1920 Zn384 -","192","1","","Kim, Dongwook; Lah, Myoung Soo","Metal‒organic framework with two different types of rigid triscarboxylates: net topology and gas sorption behaviour","CrystEngComm","2013","15","45","9491","","10.1039/c3ce40929e","","","0.67","synchrotron","","0.1064","0.085","","","0.2807","0.3095","","","","","","1.188","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7210911","5.0243","0.0008","26.279","0.005","6.0065","0.001","90","","96.332","0.006","90","","788.2","0.2","300","2","300","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H9 N O S -","- C7 H9 N O S -","- C28 H36 N4 O4 S4 -","4","1","","Eccles, Kevin S.; Morrison, Robin E.; Daly, Carla A.; O'Mahony, Graham E.; Maguire, Anita R.; Lawrence, Simon E.","Co-crystallisation through halogen bonding with racemic or enantiopure sulfinamides","CrystEngComm","2013","15","37","7571","","10.1039/c3ce40932e","","","0.71073","MoKα","","0.0716","0.0468","","","0.1232","0.1484","","","","","","1.182","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210912","4.9534","0.0006","6.4415","0.0008","24.643","0.003","90","","90","","90","","786.29","0.17","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H9 N O S -","- C7 H9 N O S -","- C28 H36 N4 O4 S4 -","4","1","","Eccles, Kevin S.; Morrison, Robin E.; Daly, Carla A.; O'Mahony, Graham E.; Maguire, Anita R.; Lawrence, Simon E.","Co-crystallisation through halogen bonding with racemic or enantiopure sulfinamides","CrystEngComm","2013","15","37","7571","","10.1039/c3ce40932e","","","0.71073","MoKα","","0.0442","0.0361","","","0.086","0.0896","","","","","","1.156","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210913","5.1527","0.0006","12.1505","0.0016","16.292","0.002","84.04","0.004","88.391","0.004","78.975","0.004","995.7","0.2","300","2","300","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H36 F4 I2 N4 O4 S4 -","- C34 H36 F4 I2 N4 O4 S4 -","- C34 H36 F4 I2 N4 O4 S4 -","1","0.5","","Eccles, Kevin S.; Morrison, Robin E.; Daly, Carla A.; O'Mahony, Graham E.; Maguire, Anita R.; Lawrence, Simon E.","Co-crystallisation through halogen bonding with racemic or enantiopure sulfinamides","CrystEngComm","2013","15","37","7571","","10.1039/c3ce40932e","","","0.71073","MoKα","","0.0516","0.0328","","","0.0678","0.0754","","","","","","0.971","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210914","8.867","0.004","6.102","0.003","15.553","0.007","90","","103.913","0.011","90","","816.8","0.7","130","2","130","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C13 H9 F4 I2 N O S -","- C13 H9 F4 I2 N O S -","- C26 H18 F8 I4 N2 O2 S2 -","2","1","","Eccles, Kevin S.; Morrison, Robin E.; Daly, Carla A.; O'Mahony, Graham E.; Maguire, Anita R.; Lawrence, Simon E.","Co-crystallisation through halogen bonding with racemic or enantiopure sulfinamides","CrystEngComm","2013","15","37","7571","","10.1039/c3ce40932e","","","0.71073","MoKα","","0.0355","0.032","","","0.0752","0.0769","","","","","","1.036","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210915","4.5847","0.0003","19.1307","0.0016","8.9047","0.0006","90","","90","","90","","781.02","0.1","100","2","100","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C5 H13 N3 O2 -","- C5 H13 N3 O2 -","- C20 H52 N12 O8 -","4","0.5","","Taouss, Christina; Thomas, Lena; Jones, Peter G.","Packing principles for urea and thiourea solvates: structures of urea : morpholine (1 : 1), urea : 1,4-dioxane (1 : 1), thiourea : morpholine (4 : 3) and thiourea : 1,4-dioxane (4 : 1)","CrystEngComm","2013","15","34","6829","","10.1039/c3ce40933c","","","1.54184","CuKα","","0.0321","0.03","","","0.0873","0.0892","","","","","","1.101","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210916","6.7949","0.0005","4.5234","0.0003","12.2711","0.0009","90","","95.701","0.007","90","","375.3","0.05","100","2","100","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C5 H12 N2 O3 -","- C5 H12 N2 O3 -","- C10 H24 N4 O6 -","2","0.5","","Taouss, Christina; Thomas, Lena; Jones, Peter G.","Packing principles for urea and thiourea solvates: structures of urea : morpholine (1 : 1), urea : 1,4-dioxane (1 : 1), thiourea : morpholine (4 : 3) and thiourea : 1,4-dioxane (4 : 1)","CrystEngComm","2013","15","34","6829","","10.1039/c3ce40933c","","","0.71073","MoKα","","0.0507","0.0455","","","0.1251","0.1294","","","","","","1.052","","","","has coordinates","288501","2023-12-22","13:20:51",""
"7210917","10.0368","0.0002","7.6417","0.00018","18.6502","0.0004","90","","96.082","0.002","90","","1422.39","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H43 N11 O3 S4 -","- C16 H43 N11 O3 S4 -","- C32 H86 N22 O6 S8 -","2","0.5","","Taouss, Christina; Thomas, Lena; Jones, Peter G.","Packing principles for urea and thiourea solvates: structures of urea : morpholine (1 : 1), urea : 1,4-dioxane (1 : 1), thiourea : morpholine (4 : 3) and thiourea : 1,4-dioxane (4 : 1)","CrystEngComm","2013","15","34","6829","","10.1039/c3ce40933c","","","0.71073","MoKα","","0.0337","0.0267","","","0.0618","0.0656","","","","","","1.037","","","","has coordinates,has disorder","180440","2020-10-21","18:00:00",""
"7210918","9.4441","0.0003","7.1099","0.0002","13.7207","0.0004","90","","94.022","0.003","90","","919.03","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H24 N8 O2 S4 -","- C8 H24 N8 O2 S4 -","- C16 H48 N16 O4 S8 -","2","0.5","","Taouss, Christina; Thomas, Lena; Jones, Peter G.","Packing principles for urea and thiourea solvates: structures of urea : morpholine (1 : 1), urea : 1,4-dioxane (1 : 1), thiourea : morpholine (4 : 3) and thiourea : 1,4-dioxane (4 : 1)","CrystEngComm","2013","15","34","6829","","10.1039/c3ce40933c","","","0.71073","MoKα","","0.038","0.028","","","0.0578","0.0607","","","","","","1.04","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210919","6.419","0.001","10.026","0.002","10.326","0.002","69.67","0.02","80.22","0.02","80.44","0.01","610","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","NaBA_BA_2H2O","","","- C8 H11 N4 Na O8 -","- C8 H11 N4 Na O8 -","- C16 H22 N8 Na2 O16 -","2","1","","Chierotti, Michele R.; Gaglioti, Katia; Gobetto, Roberto; Braga, Dario; Grepioni, Fabrizia; Maini, Lucia","From molecular crystals to salt co-crystals of barbituric acid via the carbonate ion and an improvement of the solid state properties","CrystEngComm","2013","15","37","7598","","10.1039/c3ce40938d","","","0.71073","MoKα","","0.0982","0.072","","","0.1847","0.2032","","","","","","0.991","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210920","14.686","0.005","16.19","0.002","10.926","0.003","90","","131.41","0.05","90","","1948.4","1.7","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","KBA_BA0.5_1.5H2O","","","- C12 H16 K2 N6 O12 -","- C12 H16 K2 N6 O12 -","- C48 H64 K8 N24 O48 -","4","0.5","","Chierotti, Michele R.; Gaglioti, Katia; Gobetto, Roberto; Braga, Dario; Grepioni, Fabrizia; Maini, Lucia","From molecular crystals to salt co-crystals of barbituric acid via the carbonate ion and an improvement of the solid state properties","CrystEngComm","2013","15","37","7598","","10.1039/c3ce40938d","","","0.7107","MoKα","","0.0799","0.0552","","","0.1382","0.1649","","","","","","0.924","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210921","51.935","0.007","11.828","0.003","12.781","0.003","90","","91.88","0.01","90","","7847","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","BA_KBA_2H2O","","","- C8 H11 K N4 O8 -","- C8 H10.6667 K N4 O8 -","- C192 H256 K24 N96 O192 -","24","3","","Chierotti, Michele R.; Gaglioti, Katia; Gobetto, Roberto; Braga, Dario; Grepioni, Fabrizia; Maini, Lucia","From molecular crystals to salt co-crystals of barbituric acid via the carbonate ion and an improvement of the solid state properties","CrystEngComm","2013","15","37","7598","","10.1039/c3ce40938d","","","0.71073","MoKα","","0.0729","0.0593","","","0.1687","0.1791","","","","","","1.081","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210922","7.8795","0.0016","9.76","0.002","13.612","0.003","90","","90","","90","","1046.8","0.4","105","2","105","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1,5,7-triazabicyclo[4.4.0]dec-5-ene.oxalicacid","1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidinium.hydrogen oxalate","","- C9 H15 N3 O4 -","- C9 H15 N3 O4 -","- C36 H60 N12 O16 -","4","1","","Yadav, Vitthal N.; Görbitz, Carl Henrik","Supramolecular 1D ribbons in complexes between a bicyclic-guanidine derivative and di- or monocarboxylic acids","CrystEngComm","2013","15","36","7321","","10.1039/c3ce40960k","","","0.71073","MoKα","","0.0304","0.0278","","","0.0692","0.071","","","","","","1.038","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210923","7.014","0.003","12.065","0.005","17.179","0.007","90","","90.118","0.006","90","","1453.8","1","105","2","105","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,5,7-triazabicyclo[4.4.0]dec-5-ene.adipic acid","1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidinium hydrogen adipate","","- C13 H23 N3 O4 -","- C13 H23 N3 O4 -","- C52 H92 N12 O16 -","4","1","","Yadav, Vitthal N.; Görbitz, Carl Henrik","Supramolecular 1D ribbons in complexes between a bicyclic-guanidine derivative and di- or monocarboxylic acids","CrystEngComm","2013","15","36","7321","","10.1039/c3ce40960k","","","0.71073","MoKα","","0.0834","0.0533","","","0.1185","0.1329","","","","","","0.985","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210924","7.1832","0.0007","8.9257","0.0009","9.8008","0.001","71.298","0.001","75.374","0.001","81.203","0.001","574.13","0.1","105","2","105","2","","","","","","","","4","P -1","-P 1","2","1,5,7-triazabicyclo[4.4.0]dec-5-ene.glycolicacid","1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidinium.glycolate","","- C9 H19 N3 O4 -","- C9 H18.996 N3 O3.998 -","- C18 H37.992 N6 O7.996 -","2","1","","Yadav, Vitthal N.; Görbitz, Carl Henrik","Supramolecular 1D ribbons in complexes between a bicyclic-guanidine derivative and di- or monocarboxylic acids","CrystEngComm","2013","15","36","7321","","10.1039/c3ce40960k","","","0.71073","MoKα","","0.0374","0.0335","","","0.0906","0.0942","","","","","","1.056","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210925","13.031","0.0006","13.031","0.0006","29.498","0.0016","90","","90","","120","","4337.9","0.4","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","AlPO STA-2, as-prepared","","","- C16 H24 Al12 N4 O50 P12 -","- C15.98 H24 Al12 N4 O49.98 P12 -","- C47.94 H72 Al36 N12 O149.94 P36 -","3","0.166667","","Seymour, Valerie R.; Eschenroeder, Eike C. V.; Castro, Maria; Wright, Paul A.; Ashbrook, Sharon E.","Application of NMR crystallography to the determination of the mechanism of charge-balancing in organocation-templated AlPO STA-2","CrystEngComm","2013","15","43","8668","","10.1039/c3ce40965a","","","1.54187","CuKα","","0.1716","0.1126","","","0.2973","0.3568","","","","","","1.25","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210926","17.87","0.002","17.87","0.002","7.7402","0.0009","90","","90","","90","","2471.7","0.5","150","2","150","2","","","","","","","","7","P 4/n :2","-P 4a","85","","","","- C48 H52 Cu F4 N12 O14 S -","- C48 H40 Cu F4 N12 O14 S -","- C96 H80 Cu2 F8 N24 O28 S2 -","2","0.25","","Akhuli, Bidyut; Ghosh, Tamal Kanti; Ghosh, Pradyut","Effect of coordinating (‒CN) vs. non-coordinating (‒F) substituents in 3-pyridyl urea receptors toward second sphere sulfate recognition: selective crystallisation of CuSO4 from mixtures of competing anions/cations","CrystEngComm","2013","15","45","9472","","10.1039/c3ce40974k","","","0.71073","MoKα","","0.0703","0.0614","","","0.179","0.1855","","","","","","1.072","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210927","18.1493","0.0017","18.1493","0.0017","7.9703","0.0008","90","","90","","90","","2625.4","0.4","150","2","150","2","","","","","","","","7","P -4","P -4","81","","","","- C48 H48 Cd F4 N12 O12 S -","- C48 H40 Cd F4 N12 O12 S -","- C96 H80 Cd2 F8 N24 O24 S2 -","2","0.5","","Akhuli, Bidyut; Ghosh, Tamal Kanti; Ghosh, Pradyut","Effect of coordinating (‒CN) vs. non-coordinating (‒F) substituents in 3-pyridyl urea receptors toward second sphere sulfate recognition: selective crystallisation of CuSO4 from mixtures of competing anions/cations","CrystEngComm","2013","15","45","9472","","10.1039/c3ce40974k","","","0.71073","MoKα","","0.0344","0.0336","","","0.0888","0.0895","","","","","","1.092","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210928","13.2254","0.0008","14.6731","0.0009","17.1748","0.001","98.663","0.002","109.9","0.001","103.784","0.002","2944","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H40 Cu N16 O8 S -","- C52 H40 Cu N16 O8 S -","- C104 H80 Cu2 N32 O16 S2 -","2","1","","Akhuli, Bidyut; Ghosh, Tamal Kanti; Ghosh, Pradyut","Effect of coordinating (‒CN) vs. non-coordinating (‒F) substituents in 3-pyridyl urea receptors toward second sphere sulfate recognition: selective crystallisation of CuSO4 from mixtures of competing anions/cations","CrystEngComm","2013","15","45","9472","","10.1039/c3ce40974k","","","0.71073","MoKα","","0.0701","0.0551","","","0.1436","0.1522","","","","","","1.046","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210929","30.708","0.002","6.6182","0.0005","19.1423","0.0015","90","","94.254","0.002","90","","3879.6","0.5","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H40 Co N10 O14 S -","- C32 H34 Co N10 O14 S -","- C128 H136 Co4 N40 O56 S4 -","4","0.5","","Akhuli, Bidyut; Ghosh, Tamal Kanti; Ghosh, Pradyut","Effect of coordinating (‒CN) vs. non-coordinating (‒F) substituents in 3-pyridyl urea receptors toward second sphere sulfate recognition: selective crystallisation of CuSO4 from mixtures of competing anions/cations","CrystEngComm","2013","15","45","9472","","10.1039/c3ce40974k","","","0.71073","MoKα","","0.1035","0.0836","","","0.218","0.2396","","","","","","1.063","","","","has coordinates,has disorder","180440","2020-10-21","18:00:00",""
"7210930","9.0686","0.0006","9.8673","0.0007","10.1779","0.0008","96.769","0.006","94.398","0.006","102.954","0.006","876.36","0.11","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H52 Co2 N8 O2 S6 Sn2 -","- C20 H52 Co2 N8 O2 S6 Sn2 -","- C20 H52 Co2 N8 O2 S6 Sn2 -","1","0.5","","Zeisler, Christoph; Näther, Christian; Bensch, Wolfgang","A new synthetic approach to force bond formation between a transition metal complex and a thiostannate anion: solvothermal synthesis and crystal structure of [Co2(cyclam)2Sn2S6]·2H2O","CrystEngComm","2013","15","44","8874","","10.1039/c3ce40976g","","","0.71073","MoKα","","0.0361","0.0268","","","0.052","0.0539","","","","","","1.044","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210931","12.395","0.003","18.092","0.004","14.144","0.003","90","","115.46","0.03","90","","2863.8","1.3","153.15","","153.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H74 Co2 N10 O33 P2 -","- C38 H74 Co2 N10 O33 P2 -","- C76 H148 Co4 N20 O66 P4 -","2","1","","Zhou, Pei; Yao, Jian-feng; Sheng, Chuan-fang; Li, Hui","A continuing tale of chirality: metal coordination extended axial chirality of 4,4′-bipy to 1D infinite chain under cooperation of a nucleotide ligand","CrystEngComm","2013","15","42","8430","","10.1039/c3ce40977e","","","0.71073","MoKα","","0.0892","0.0611","","","0.1137","0.1273","","","","","","1.015","","","","has coordinates,has disorder","180440","2020-10-21","18:00:00",""
"7210932","10.924","0.002","22.372","0.005","20.725","0.004","90","","90","","90","","5065","1.8","153.15","","153.15","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C38 H62 Cu2 N10 O27 P2 -","- C38 H62 Cu2 N10 O27 P2 -","- C152 H248 Cu8 N40 O108 P8 -","4","0.5","","Zhou, Pei; Yao, Jian-feng; Sheng, Chuan-fang; Li, Hui","A continuing tale of chirality: metal coordination extended axial chirality of 4,4′-bipy to 1D infinite chain under cooperation of a nucleotide ligand","CrystEngComm","2013","15","42","8430","","10.1039/c3ce40977e","","","0.71073","MoKα","","0.055","0.0462","","","0.1139","0.1186","","","","","","1.052","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210933","12.387","0.003","18.193","0.004","14.163","0.003","90","","115.87","0.03","90","","2871.9","1.3","153.15","","153.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H74 N10 Ni2 O33 P2 -","- C38 H74 N10 Ni2 O33 P2 -","- C76 H148 N20 Ni4 O66 P4 -","2","1","","Zhou, Pei; Yao, Jian-feng; Sheng, Chuan-fang; Li, Hui","A continuing tale of chirality: metal coordination extended axial chirality of 4,4′-bipy to 1D infinite chain under cooperation of a nucleotide ligand","CrystEngComm","2013","15","42","8430","","10.1039/c3ce40977e","","","0.71073","MoKα","","0.0998","0.0673","","","0.1197","0.1379","","","","","","1.064","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210934","11.359","0.002","14.395","0.003","14.726","0.003","90","","90","","90","","2407.9","0.8","153.15","0.02","153.15","0.02","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H27 Co N4 O13 P -","- C19 H27 Co N4 O13 P -","- C76 H108 Co4 N16 O52 P4 -","4","1","","Zhou, Pei; Yao, Jian-feng; Sheng, Chuan-fang; Li, Hui","A continuing tale of chirality: metal coordination extended axial chirality of 4,4′-bipy to 1D infinite chain under cooperation of a nucleotide ligand","CrystEngComm","2013","15","42","8430","","10.1039/c3ce40977e","","","0.71073","MoKα","","0.0461","0.0382","","","0.078","0.0813","","","","","","0.998","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210935","11.272","0.002","14.383","0.003","14.72","0.003","90","","90","","90","","2386.5","0.8","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H27 N4 Ni O13 P -","- C19 H27 N4 Ni O13 P -","- C76 H108 N16 Ni4 O52 P4 -","4","1","","Zhou, Pei; Yao, Jian-feng; Sheng, Chuan-fang; Li, Hui","A continuing tale of chirality: metal coordination extended axial chirality of 4,4′-bipy to 1D infinite chain under cooperation of a nucleotide ligand","CrystEngComm","2013","15","42","8430","","10.1039/c3ce40977e","","","0.71073","MoKα","","0.0516","0.0406","","","0.0897","0.0941","","","","","","0.993","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210936","24.117","0.005","7.1088","0.0014","19.077","0.004","90","","112.94","0.03","90","","3012","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70 H66 Co2 N2 O20 -","- C70 H46 Co2 N2 O20 -","- C140 H92 Co4 N4 O40 -","2","0.5","","Yu, Fan; Zhang, Yu-Min; Guo, Yan-Hua; Li, Ai-Hua; Yu, Guo-Xian; Li, Bao","Various crystal structures based on 4,4′-(diethynylanthracene-9,10-diyl) dibenzoic acid: from 0D dimer to 3D net framework","CrystEngComm","2013","15","41","8273","","10.1039/c3ce41000e","","","0.71073","MoKα","","0.1658","0.0847","","","0.1764","0.2243","","","","","","1.047","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210937","18.4701","0.0016","44.767","0.005","7.2462","0.0008","90","","90","","90","","5991.5","1.1","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C70 H60 Cd2 N2 O17 -","- C70 H44 Cd2 N2 O17 -","- C280 H176 Cd8 N8 O68 -","4","0.5","","Yu, Fan; Zhang, Yu-Min; Guo, Yan-Hua; Li, Ai-Hua; Yu, Guo-Xian; Li, Bao","Various crystal structures based on 4,4′-(diethynylanthracene-9,10-diyl) dibenzoic acid: from 0D dimer to 3D net framework","CrystEngComm","2013","15","41","8273","","10.1039/c3ce41000e","","","0.71073","MoKα","","0.1873","0.1115","","","0.223","0.2737","","","","","","1.05","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210938","9.9355","0.001","12.1661","0.0013","23.473","0.003","75.392","0.002","80.66","0.002","79.549","0.002","2679.7","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H46 Eu N2 O12 -","- C48 H24 Eu O9 -","- C96 H48 Eu2 O18 -","2","1","","Yu, Fan; Zhang, Yu-Min; Guo, Yan-Hua; Li, Ai-Hua; Yu, Guo-Xian; Li, Bao","Various crystal structures based on 4,4′-(diethynylanthracene-9,10-diyl) dibenzoic acid: from 0D dimer to 3D net framework","CrystEngComm","2013","15","41","8273","","10.1039/c3ce41000e","","","0.71073","MoKα","","0.0672","0.0511","","","0.1077","0.1132","","","","","","0.934","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210939","29.5937","0.0008","29.5937","0.0008","10.168","0.0005","90","","90","","90","","8905","0.6","296","2","296","2","","","","","","","","7","I 4/m","-I 4","87","","","","- C66 H54 B2 F4 N8 O13 Zn3 -","- C66 H6 B2 F4 N8 O13 Zn3 -","- C264 H24 B8 F16 N32 O52 Zn12 -","4","0.25","","Zhou, Lian; Xue, Yun-Shan; Xu, Yan; Zhang, Jun; Du, Hong-Bin","Two photoluminescent metal‒organic frameworks based on a BODIPY-derived bipyridine ligand","CrystEngComm","2013","15","36","7315","","10.1039/c3ce41002a","","","0.71073","MoKα","","0.1001","0.0771","","","0.2233","0.2415","","","","","","1.1","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210940","25.4125","0.0008","25.4125","0.0008","19.8941","0.0012","90","","90","","120","","11126.3","0.8","291","2","291","2","","","","","","","","7","P 6/m","-P 6","175","","","","- C32 H27 B Cd F2 N4 O4 -","- C32 H27.65 B Cd F2 N4 O4 -","- C192 H165.9 B6 Cd6 F12 N24 O24 -","6","0.5","","Zhou, Lian; Xue, Yun-Shan; Xu, Yan; Zhang, Jun; Du, Hong-Bin","Two photoluminescent metal‒organic frameworks based on a BODIPY-derived bipyridine ligand","CrystEngComm","2013","15","36","7315","","10.1039/c3ce41002a","","","0.71073","MoKα","","0.0821","0.0585","","","0.1704","0.1816","","","","","","1.009","","","","has coordinates,has disorder","180440","2020-10-21","18:00:00",""
"7210941","11.304","0.0002","19.5436","0.0004","11.8709","0.0002","90","","92.304","0.001","90","","2620.41","0.08","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 Ag F6 N4 O4 Sb -","- C22 H23 Ag F6 N4 O4 Sb -","- C88 H92 Ag4 F24 N16 O16 Sb4 -","4","1","","Niranjana, P.; Pati, Anita; Porwal, Suheel K.; Ramkumar, Venkatachalam; Gharpure, Santosh J.; Chand, Dillip Kumar","Coordination polymers via self-assembly of silver(i) and cis-bis-nitrile-oxa-bowl derivatives","CrystEngComm","2013","15","45","9623","","10.1039/c3ce41003j","","","0.71073","MoKα","","0.0796","0.0468","","","0.1402","0.1634","","","","","","1.002","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210942","11.2301","0.0006","19.192","0.0011","11.8597","0.0006","90","","92.214","0.002","90","","2554.2","0.2","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 Ag F6 N4 O4 P -","- C22 H23 Ag F6 N4 O4 P -","- C88 H92 Ag4 F24 N16 O16 P4 -","4","1","","Niranjana, P.; Pati, Anita; Porwal, Suheel K.; Ramkumar, Venkatachalam; Gharpure, Santosh J.; Chand, Dillip Kumar","Coordination polymers via self-assembly of silver(i) and cis-bis-nitrile-oxa-bowl derivatives","CrystEngComm","2013","15","45","9623","","10.1039/c3ce41003j","","","0.71073","MoKα","","0.0823","0.0631","","","0.1737","0.1949","","","","","","1.054","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210943","11.403","0.003","12.604","0.004","20.686","0.005","89.498","0.015","89.662","0.015","84.312","0.016","2958.3","1.4","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H55 Ag2 F14 N8 O8 Sb2 -","- C52 H55 Ag2 F14 N8 O8 Sb2 -","- C104 H110 Ag4 F28 N16 O16 Sb4 -","2","1","","Niranjana, P.; Pati, Anita; Porwal, Suheel K.; Ramkumar, Venkatachalam; Gharpure, Santosh J.; Chand, Dillip Kumar","Coordination polymers via self-assembly of silver(i) and cis-bis-nitrile-oxa-bowl derivatives","CrystEngComm","2013","15","45","9623","","10.1039/c3ce41003j","","","0.71073","MoKα","","0.1045","0.06","","","0.1652","0.1956","","","","","","1.125","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210944","11.3548","0.0005","20.4728","0.0007","12.5381","0.0004","90","","95.959","0.001","90","","2898.91","0.19","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 Ag F6 N4 O4 P -","- C26 H28 Ag F6 N4 O4 P -","- C104 H112 Ag4 F24 N16 O16 P4 -","4","1","","Niranjana, P.; Pati, Anita; Porwal, Suheel K.; Ramkumar, Venkatachalam; Gharpure, Santosh J.; Chand, Dillip Kumar","Coordination polymers via self-assembly of silver(i) and cis-bis-nitrile-oxa-bowl derivatives","CrystEngComm","2013","15","45","9623","","10.1039/c3ce41003j","","","0.71073","MoKα","","0.0888","0.0604","","","0.1916","0.2156","","","","","","1.058","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210945","7.4347","0.0004","18.1183","0.001","15.1884","0.0009","90","","95.864","0.003","90","","2035.2","0.2","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H32 Ag2 F12 N4 O5 Sb2 -","- C35 H32 Ag2 F12 N4 O5 Sb2 -","- C70 H64 Ag4 F24 N8 O10 Sb4 -","2","0.5","","Niranjana, P.; Pati, Anita; Porwal, Suheel K.; Ramkumar, Venkatachalam; Gharpure, Santosh J.; Chand, Dillip Kumar","Coordination polymers via self-assembly of silver(i) and cis-bis-nitrile-oxa-bowl derivatives","CrystEngComm","2013","15","45","9623","","10.1039/c3ce41003j","","","0.71073","MoKα","","0.0453","0.0395","","","0.1003","0.1051","","","","","","1.063","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7210946","13.5994","0.0005","9.9972","0.0005","14.0444","0.0007","90","","90","","90","","1909.42","0.15","298","2","298","2","","","","","","","","7","P m n a","-P 2ac 2","53","","","","- C17 H16 Ag F6 N2 O3 P -","- C17 H16 Ag F6 N2 O3 P -","- C68 H64 Ag4 F24 N8 O12 P4 -","4","0.5","","Niranjana, P.; Pati, Anita; Porwal, Suheel K.; Ramkumar, Venkatachalam; Gharpure, Santosh J.; Chand, Dillip Kumar","Coordination polymers via self-assembly of silver(i) and cis-bis-nitrile-oxa-bowl derivatives","CrystEngComm","2013","15","45","9623","","10.1039/c3ce41003j","","","0.71073","MoKα","","0.0572","0.0505","","","0.1682","0.1744","","","","","","1.11","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210947","7.1344","0.0002","9.0828","0.0003","16.2936","0.0006","90","","102.446","0.002","90","","1031.02","0.06","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 N2 O2 -","- C11 H12 N2 O2 -","- C44 H48 N8 O8 -","4","1","","Niranjana, P.; Pati, Anita; Porwal, Suheel K.; Ramkumar, Venkatachalam; Gharpure, Santosh J.; Chand, Dillip Kumar","Coordination polymers via self-assembly of silver(i) and cis-bis-nitrile-oxa-bowl derivatives","CrystEngComm","2013","15","45","9623","","10.1039/c3ce41003j","","","0.71073","MoKα","","0.0427","0.0342","","","0.1229","0.1377","","","","","","1.146","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210948","8.8137","0.0007","11.885","0.0004","12.882","0.0004","115.13","0.001","102.974","0.002","95.33","0.002","1163.07","0.11","275","2","275","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 N2 O2 -","- C13 H14 N2 O2 -","- C52 H56 N8 O8 -","4","2","","Niranjana, P.; Pati, Anita; Porwal, Suheel K.; Ramkumar, Venkatachalam; Gharpure, Santosh J.; Chand, Dillip Kumar","Coordination polymers via self-assembly of silver(i) and cis-bis-nitrile-oxa-bowl derivatives","CrystEngComm","2013","15","45","9623","","10.1039/c3ce41003j","","","0.71073","MoKα","","0.079","0.0524","","","0.1342","0.1524","","","","","","1.047","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210949","9.357","0.0006","9.7318","0.001","9.7501","0.0005","103.814","0.004","117.36","0.003","104.07","0.004","698.71","0.1","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C34 H28 N4 O4 -","2","1","","Niranjana, P.; Pati, Anita; Porwal, Suheel K.; Ramkumar, Venkatachalam; Gharpure, Santosh J.; Chand, Dillip Kumar","Coordination polymers via self-assembly of silver(i) and cis-bis-nitrile-oxa-bowl derivatives","CrystEngComm","2013","15","45","9623","","10.1039/c3ce41003j","","","0.71073","MoKα","","0.0717","0.0462","","","0.1128","0.1274","","","","","","1.04","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210950","26.359","0.005","15.14","0.003","20.434","0.004","90","","99.63","0.03","90","","8040","3","293","2","293","2","","","","","","","","8","P 1 c 1","P -2yc","7","","","","- C144 H124 Cl2 Cu10 Gd4 I8 N12 O46 -","- C144 H124 Cl2 Cu10 Gd4 I8 N12 O46 -","- C288 H248 Cl4 Cu20 Gd8 I16 N24 O92 -","2","1","","Fang, Wei-Hui; Yang, Guo-Yu","Three pillared-layer 3d‒4f heterometallic frameworks based on tetranuclear lanthanide clusters","CrystEngComm","2013","15","45","9504","","10.1039/c3ce41010b","","","0.71073","MoKα","","0.0654","0.0591","","","0.1419","0.1477","","","","","","1.052","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210951","56.02","0.018","10.073","0.003","20.97","0.007","90","","106.13","0.005","90","","11367","6","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C100 H80 Cl2 Cu7 I5 La4 N8 O40 -","- C100 H80 Cl2 Cu7 I5 La4 N8 O40 -","- C400 H320 Cl8 Cu28 I20 La16 N32 O160 -","4","0.5","","Fang, Wei-Hui; Yang, Guo-Yu","Three pillared-layer 3d‒4f heterometallic frameworks based on tetranuclear lanthanide clusters","CrystEngComm","2013","15","45","9504","","10.1039/c3ce41010b","","","0.71073","MoKα","","0.0683","0.0526","","","0.1569","0.1977","","","","","","1.029","","","","has coordinates,has disorder","180440","2020-10-21","18:00:00",""
"7210952","10.1624","0.0002","21.5001","0.0002","27.9291","0.0004","104.614","0.011","99.824","0.009","101.566","0.008","5625.3","0.5","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C102 H80 Cu7 I6 La4 N8 Na O36 -","- C102 H80 Cu7 I6 La4 N8 Na O36 -","- C204 H160 Cu14 I12 La8 N16 Na2 O72 -","2","1","","Fang, Wei-Hui; Yang, Guo-Yu","Three pillared-layer 3d‒4f heterometallic frameworks based on tetranuclear lanthanide clusters","CrystEngComm","2013","15","45","9504","","10.1039/c3ce41010b","","","0.71073","MoKα","","0.0681","0.0556","","","0.1989","0.2106","","","","","","1.042","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210953","9.91","0.0007","16.4571","0.0011","10.5782","0.0007","90","","103.579","0.001","90","","1677","0.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 Cu2 I2 N4 -","- C12 H18 Cu2 I2 N4 -","- C48 H72 Cu8 I8 N16 -","4","1","","Yuan, Shuai; Wang, Hua; Wang, Deng-Xu; Lu, Hai-Feng; Feng, Sheng-Yu; Sun, Di","Reactant ratio-modulated six new copper(i)‒iodide coordination complexes based on diverse [CumIm] aggregates and biimidazole linkers: syntheses, structures and temperature-dependent luminescence properties","CrystEngComm","2013","15","38","7792","","10.1039/c3ce41021h","","","0.71073","MoKα","","0.036","0.0315","","","0.0849","0.0876","","","","","","1.069","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210954","4.2896","0.0009","10.405","0.002","12.346","0.003","110.327","0.003","95.585","0.003","92.3","0.003","512.66","0.19","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H9 Cu2 I2 N2 -","- C6 H9 Cu2 I2 N2 -","- C12 H18 Cu4 I4 N4 -","2","1","","Yuan, Shuai; Wang, Hua; Wang, Deng-Xu; Lu, Hai-Feng; Feng, Sheng-Yu; Sun, Di","Reactant ratio-modulated six new copper(i)‒iodide coordination complexes based on diverse [CumIm] aggregates and biimidazole linkers: syntheses, structures and temperature-dependent luminescence properties","CrystEngComm","2013","15","38","7792","","10.1039/c3ce41021h","","","0.71073","MoKα","","0.0355","0.0315","","","0.0813","0.0852","","","","","","1.047","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210955","10.3645","0.0008","10.7637","0.0009","12.0346","0.001","106.935","0.0012","90.3554","0.0013","101.801","0.0011","1254.11","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H27 Cu3 I3 N6 -","- C18 H27 Cu3 I3 N6 -","- C36 H54 Cu6 I6 N12 -","2","1","","Yuan, Shuai; Wang, Hua; Wang, Deng-Xu; Lu, Hai-Feng; Feng, Sheng-Yu; Sun, Di","Reactant ratio-modulated six new copper(i)‒iodide coordination complexes based on diverse [CumIm] aggregates and biimidazole linkers: syntheses, structures and temperature-dependent luminescence properties","CrystEngComm","2013","15","38","7792","","10.1039/c3ce41021h","","","0.71073","MoKα","","0.0399","0.0304","","","0.0667","0.0716","","","","","","1.02","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210956","8.3121","0.0014","12.843","0.002","10.0096","0.0017","90","","90","","90","","1068.5","0.3","298","2","298","2","","","","","","","","5","P m m a","-P 2a 2a","51","","","","- C6 H5 Cu2 I2 N2 -","- C6 H5 Cu2 I2 N2 -","- C24 H20 Cu8 I8 N8 -","4","0.5","","Yuan, Shuai; Wang, Hua; Wang, Deng-Xu; Lu, Hai-Feng; Feng, Sheng-Yu; Sun, Di","Reactant ratio-modulated six new copper(i)‒iodide coordination complexes based on diverse [CumIm] aggregates and biimidazole linkers: syntheses, structures and temperature-dependent luminescence properties","CrystEngComm","2013","15","38","7792","","10.1039/c3ce41021h","","","0.71073","MoKα","","0.0254","0.0229","","","0.0631","0.065","","","","","","1.045","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210957","7.7974","0.0016","9.6942","0.0019","11.209","0.002","115.68","0.003","101.089","0.003","109.236","0.003","662.7","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 Cu I N4 -","- C12 H10 Cu I N4 -","- C24 H20 Cu2 I2 N8 -","2","1","","Yuan, Shuai; Wang, Hua; Wang, Deng-Xu; Lu, Hai-Feng; Feng, Sheng-Yu; Sun, Di","Reactant ratio-modulated six new copper(i)‒iodide coordination complexes based on diverse [CumIm] aggregates and biimidazole linkers: syntheses, structures and temperature-dependent luminescence properties","CrystEngComm","2013","15","38","7792","","10.1039/c3ce41021h","","","0.71073","MoKα","","0.038","0.031","","","0.0742","0.079","","","","","","1.009","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210958","43.528","0.014","4.1804","0.0013","24.057","0.007","90","","115.413","0.005","90","","3954","2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Cu4 I4 N4 -","- C12 H10 Cu4 I4 N4 -","- C96 H80 Cu32 I32 N32 -","8","1","","Yuan, Shuai; Wang, Hua; Wang, Deng-Xu; Lu, Hai-Feng; Feng, Sheng-Yu; Sun, Di","Reactant ratio-modulated six new copper(i)‒iodide coordination complexes based on diverse [CumIm] aggregates and biimidazole linkers: syntheses, structures and temperature-dependent luminescence properties","CrystEngComm","2013","15","38","7792","","10.1039/c3ce41021h","","","0.71073","MoKα","","0.0609","0.0381","","","0.0799","0.0898","","","","","","1.016","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210959","10.2669","0.0012","10.7531","0.0014","11.8781","0.0015","106.838","0.002","90.109","0.002","101.79","0.002","1226","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H27 Cu3 I3 N6 -","- C18 H27 Cu3 I3 N6 -","- C36 H54 Cu6 I6 N12 -","2","1","","Yuan, Shuai; Wang, Hua; Wang, Deng-Xu; Lu, Hai-Feng; Feng, Sheng-Yu; Sun, Di","Reactant ratio-modulated six new copper(i)‒iodide coordination complexes based on diverse [CumIm] aggregates and biimidazole linkers: syntheses, structures and temperature-dependent luminescence properties","CrystEngComm","2013","15","38","7792","","10.1039/c3ce41021h","","","0.71073","MoKα","","0.0293","0.0252","","","0.0688","0.0804","","","","","","1.154","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210960","10.2961","0.0009","10.7386","0.001","11.9132","0.001","106.768","0.001","90.207","0.001","101.726","0.001","1232.14","0.19","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H27 Cu3 I3 N6 -","- C18 H27 Cu3 I3 N6 -","- C36 H54 Cu6 I6 N12 -","2","1","","Yuan, Shuai; Wang, Hua; Wang, Deng-Xu; Lu, Hai-Feng; Feng, Sheng-Yu; Sun, Di","Reactant ratio-modulated six new copper(i)‒iodide coordination complexes based on diverse [CumIm] aggregates and biimidazole linkers: syntheses, structures and temperature-dependent luminescence properties","CrystEngComm","2013","15","38","7792","","10.1039/c3ce41021h","","","0.71073","MoKα","","0.0279","0.0249","","","0.0598","0.0632","","","","","","1.072","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210961","10.352","0.002","10.76","0.002","11.977","0.002","106.782","0.003","90.335","0.003","101.715","0.003","1247.7","0.4","220","2","220","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H27 Cu3 I3 N6 -","- C18 H27 Cu3 I3 N6 -","- C36 H54 Cu6 I6 N12 -","2","1","","Yuan, Shuai; Wang, Hua; Wang, Deng-Xu; Lu, Hai-Feng; Feng, Sheng-Yu; Sun, Di","Reactant ratio-modulated six new copper(i)‒iodide coordination complexes based on diverse [CumIm] aggregates and biimidazole linkers: syntheses, structures and temperature-dependent luminescence properties","CrystEngComm","2013","15","38","7792","","10.1039/c3ce41021h","","","0.71073","MoKα","","0.0398","0.0313","","","0.078","0.0892","","","","","","1.095","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210962","20.467","0.003","20.467","0.003","34.344","0.007","90","","90","","90","","14387","4","100","2","100","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C44 H50 Cu2 Mn2 N6 O21 -","- C44 H44 Cu2 Mn2 N6 O21 -","- C352 H352 Cu16 Mn16 N48 O168 -","8","1","","Grancha, Thais; Tourbillon, Clarisse; Ferrando-Soria, Jesús; Julve, Miguel; Lloret, Francesc; Pasán, Jorge; Ruiz-Pérez, Catalina; Fabelo, Oscar; Pardo, Emilio","Self-assembly of a chiral three-dimensional manganese(ii)‒copper(ii) coordination polymer with a double helical architecture","CrystEngComm","2013","15","45","9312","","10.1039/c3ce41022f","","x-ray","0.7379","monocromaticsynchrotron","","0.0842","0.0788","","","0.2218","0.2274","","","","","","1.07","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210963","7.8765","0.0007","8.8951","0.0008","9.798","0.0009","111.508","0.008","96.724","0.007","103.525","0.008","605.15","0.11","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H13 Cl N2 O -","- C13 H13 Cl N2 O -","- C26 H26 Cl2 N4 O2 -","2","1","","Trzybiński, Damian; Sikorski, Artur","Solvent-bridged frameworks of hydrogen bonds in crystals of 9-aminoacridinium halides","CrystEngComm","2013","15","34","6808","","10.1039/c3ce41027g","","","0.71073","MoKα","","0.0412","0.0341","","","0.0864","0.0907","","","","","","1.042","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210964","7.8111","0.0003","9.2247","0.0004","9.9092","0.0004","112.132","0.004","94.384","0.003","105.209","0.003","625.84","0.05","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H13 Br N2 O -","- C13 H13 Br N2 O -","- C26 H26 Br2 N4 O2 -","2","1","","Trzybiński, Damian; Sikorski, Artur","Solvent-bridged frameworks of hydrogen bonds in crystals of 9-aminoacridinium halides","CrystEngComm","2013","15","34","6808","","10.1039/c3ce41027g","","","0.71073","MoKα","","0.058","0.0468","","","0.0929","0.0962","","","","","","1.094","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210965","10.087","0.002","18.483","0.004","7.299","0.002","90","","103.53","0.03","90","","1323","0.6","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 I N2 O -","- C13 H13 I N2 O -","- C52 H52 I4 N8 O4 -","4","1","","Trzybiński, Damian; Sikorski, Artur","Solvent-bridged frameworks of hydrogen bonds in crystals of 9-aminoacridinium halides","CrystEngComm","2013","15","34","6808","","10.1039/c3ce41027g","","","0.71073","MoKα","","0.0905","0.0385","","","0.0663","0.0753","","","","","","0.858","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210966","7.0907","0.001","9.6958","0.0009","10.6145","0.0012","98.732","0.009","101.034","0.011","110.132","0.011","653.46","0.15","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H15 Cl N2 O -","- C14 H15 Cl N2 O -","- C28 H30 Cl2 N4 O2 -","2","1","","Trzybiński, Damian; Sikorski, Artur","Solvent-bridged frameworks of hydrogen bonds in crystals of 9-aminoacridinium halides","CrystEngComm","2013","15","34","6808","","10.1039/c3ce41027g","","","0.71073","MoKα","","0.0507","0.0407","","","0.1067","0.1146","","","","","","1.043","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210967","7.1357","0.0009","9.8039","0.0014","10.6502","0.0017","73.234","0.013","79.126","0.013","69.98","0.012","666.93","0.18","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H15 Br N2 O -","- C14 H15 Br N2 O -","- C28 H30 Br2 N4 O2 -","2","1","","Trzybiński, Damian; Sikorski, Artur","Solvent-bridged frameworks of hydrogen bonds in crystals of 9-aminoacridinium halides","CrystEngComm","2013","15","34","6808","","10.1039/c3ce41027g","","","0.71073","MoKα","","0.08","0.0497","","","0.0957","0.1086","","","","","","0.991","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210968","10.996","0.0011","18.6186","0.0017","7.3756","0.0008","90","","107.184","0.011","90","","1442.6","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 I N2 O -","- C14 H15 I N2 O -","- C56 H60 I4 N8 O4 -","4","1","","Trzybiński, Damian; Sikorski, Artur","Solvent-bridged frameworks of hydrogen bonds in crystals of 9-aminoacridinium halides","CrystEngComm","2013","15","34","6808","","10.1039/c3ce41027g","","","0.71073","MoKα","","0.1003","0.047","","","0.0833","0.1028","","","","","","0.963","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210969","16.712","0.002","10.3361","0.001","7.5219","0.0008","90","","110.794","0.013","90","","1214.7","0.3","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H15 F N2 O2 -","- C13 H15 F N2 O2 -","- C52 H60 F4 N8 O8 -","4","0.5","","Trzybiński, Damian; Sikorski, Artur","Solvent-bridged frameworks of hydrogen bonds in crystals of 9-aminoacridinium halides","CrystEngComm","2013","15","34","6808","","10.1039/c3ce41027g","","","0.71073","MoKα","","0.0785","0.046","","","0.1145","0.132","","","","","","1.018","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210970","18.043","0.0012","7.0446","0.0006","20.792","0.002","90","","90","","90","","2642.8","0.4","295","2","295","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C13 H15 Cl N2 O2 -","- C13 H15 Cl N2 O2 -","- C104 H120 Cl8 N16 O16 -","8","1","","Trzybiński, Damian; Sikorski, Artur","Solvent-bridged frameworks of hydrogen bonds in crystals of 9-aminoacridinium halides","CrystEngComm","2013","15","34","6808","","10.1039/c3ce41027g","","","1.54184","CuKα","","0.157","0.0738","","","0.1642","0.213","","","","","","0.993","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210971","11.061","0.002","11.061","0.002","17.145","0.003","90","","90","","90","","2097.6","0.6","293","2","293","2","","","","","","","","8","P 42/n c m :2","-P 4ac 2ac","138","","","","- C4 H4 Cl2 Cu K2 Li O19 Ru2 -","- C4 H4 Cl2 Cu K2 Li O19 Ru2 -","- C16 H16 Cl8 Cu4 K8 Li4 O76 Ru8 -","4","0.25","","Jia, Yan-Yan; Liu, Bin; Liu, Xue-Mei; Yang, Jian-Hui","Syntheses, structures and magnetic properties of two heterometallic carbonates: K2Li[Cu(H2O)2Ru2(CO3)4X2]·5H2O (X = Cl, Br)","CrystEngComm","2013","15","39","7936","","10.1039/c3ce41029c","","","0.71073","MoKα","","0.0633","0.0537","","","0.1501","0.1589","","","","","","1.04","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210972","10.9758","0.0009","11.2844","0.001","17.2476","0.0014","90","","90","","90","","2136.2","0.3","296","2","296","2","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C4 H4 Br2 Cu K2 Li O19 Ru2 -","- C4 H4 Br2 Cu K2 Li O19 Ru2 -","- C16 H16 Br8 Cu4 K8 Li4 O76 Ru8 -","4","0.5","","Jia, Yan-Yan; Liu, Bin; Liu, Xue-Mei; Yang, Jian-Hui","Syntheses, structures and magnetic properties of two heterometallic carbonates: K2Li[Cu(H2O)2Ru2(CO3)4X2]·5H2O (X = Cl, Br)","CrystEngComm","2013","15","39","7936","","10.1039/c3ce41029c","","","0.71073","MoKα","","0.0303","0.0241","","","0.0602","0.0632","","","","","","1.032","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210973","9.3967","0.0003","9.3967","0.0003","32.3703","0.0018","90","","90","","90","","2858.2","0.2","296","2","296","2","","","","","","","","7","P 42/n :2","-P 4bc","86","","","","- C24 H24 Cu4 I2 N4 S4 W -","- C24 H24 Cu4 I2 N4 S4 W -","- C48 H48 Cu8 I4 N8 S8 W2 -","2","0.25","","Zhang, Ming-Dao; Qin, Ling; Yao, Xiao-Qiang; Yang, Qing-Xiang; Guo, Zi-Jian; Zheng, He-Gen","The synthesis, structure and third-order nonlinear optical effect of a new 2D cluster polymer based on a [WS4Cu4]2+ SBU and 1,2-di(pyridin-4-yl)ethane","CrystEngComm","2013","15","36","7354","","10.1039/c3ce41033a","","","0.71073","MoKα","","0.0345","0.0323","","","0.1202","0.1217","","","","","","1.01","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210974","13.629","0.003","24.248","0.005","14.286","0.003","90","","104.645","0.003","90","","4567.8","1.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 N2 O5 Zn -","- C18 H12 N2 O5 Zn -","- C144 H96 N16 O40 Zn8 -","8","1","","Zhang, Liangliang; Guo, Jie; Meng, Qingguo; Wang, Rongming; Sun, Daofeng","Syntheses, structures and characteristics of four metal‒organic coordination polymers based on 5-hydroxyisophthalic acid and N-containing auxiliary ligands","CrystEngComm","2013","15","45","9578","","10.1039/c3ce41035h","","","0.71073","MoKα","","0.0623","0.0447","","","0.1201","0.1278","","","","","","0.961","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210975","10.163","0.006","10.737","0.006","11.3","0.006","74.521","0.009","89.84","0.009","68.492","0.009","1099.4","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H10 N2 Ni O7 -","- C18 H10 N2 Ni O7 -","- C36 H20 N4 Ni2 O14 -","2","1","","Zhang, Liangliang; Guo, Jie; Meng, Qingguo; Wang, Rongming; Sun, Daofeng","Syntheses, structures and characteristics of four metal‒organic coordination polymers based on 5-hydroxyisophthalic acid and N-containing auxiliary ligands","CrystEngComm","2013","15","45","9578","","10.1039/c3ce41035h","","","0.71073","MoKα","","0.0618","0.0547","","","0.1613","0.167","","","","","","1.057","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210976","9.6938","0.0014","13.682","0.002","16.569","0.002","90","","93.601","0.002","90","","2193.2","0.5","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 N6 O5 Zn -","- C23 H15 N6 O5 Zn -","- C92 H60 N24 O20 Zn4 -","4","1","","Zhang, Liangliang; Guo, Jie; Meng, Qingguo; Wang, Rongming; Sun, Daofeng","Syntheses, structures and characteristics of four metal‒organic coordination polymers based on 5-hydroxyisophthalic acid and N-containing auxiliary ligands","CrystEngComm","2013","15","45","9578","","10.1039/c3ce41035h","","","0.71073","MoKα","","0.0539","0.0364","","","0.0875","0.0962","","","","","","1.026","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210977","16.784","0.002","12.9256","0.0018","14.555","0.002","90","","108.565","0.002","90","","2993.3","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H6 N0 O11 Zn2 -","- C16 H6 O11 Zn2 -","- C64 H24 O44 Zn8 -","4","1","","Zhang, Liangliang; Guo, Jie; Meng, Qingguo; Wang, Rongming; Sun, Daofeng","Syntheses, structures and characteristics of four metal‒organic coordination polymers based on 5-hydroxyisophthalic acid and N-containing auxiliary ligands","CrystEngComm","2013","15","45","9578","","10.1039/c3ce41035h","","","0.71073","MoKα","","0.0768","0.0695","","","0.2229","0.2315","","","","","","1.054","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210978","8.82","","8.9583","0.0001","10.4738","0.0005","77.724","0.017","80.631","0.017","62.901","0.011","717.79","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H16 Cl Cu N O8 -","- C9 H16 Cl Cu N O8 -","- C18 H32 Cl2 Cu2 N2 O16 -","2","1","","Cai, Li-Zhen; Wang, Ming-Sheng; Wang, Shuai-Hua; Li, Pei-Xin; Guo, Guo-Cong; Huang, Jin-Shun","Syntheses, structures, and magnetic properties of one-dimensional coordination polymers based on N-succinopyridine ligand","CrystEngComm","2013","15","38","7670","","10.1039/c3ce41050a","","","0.71073","MoKα","","0.0555","0.0487","","","0.1294","0.1351","","","","","","1.172","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210979","7.1898","0.0001","10.0419","0.0001","12.11","0.0001","98.042","0.013","103.19","0.008","110.599","0.009","773.24","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H16 Cl2 N O8 Pr -","- C9 H16 Cl2 N O8 Pr -","- C18 H32 Cl4 N2 O16 Pr2 -","2","1","","Cai, Li-Zhen; Wang, Ming-Sheng; Wang, Shuai-Hua; Li, Pei-Xin; Guo, Guo-Cong; Huang, Jin-Shun","Syntheses, structures, and magnetic properties of one-dimensional coordination polymers based on N-succinopyridine ligand","CrystEngComm","2013","15","38","7670","","10.1039/c3ce41050a","","","0.71073","MoKα","","0.0153","0.0145","","","0.0359","0.0362","","","","","","1.079","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210980","10.9253","0.0014","9.6867","0.001","18.827","0.002","90","","95.438","0.01","90","","1983.5","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H22 Cl2 Eu N O11 -","- C9 H8 Cl2 Eu N O12.006 -","- C36 H32 Cl8 Eu4 N4 O48.024 -","4","1","","Cai, Li-Zhen; Wang, Ming-Sheng; Wang, Shuai-Hua; Li, Pei-Xin; Guo, Guo-Cong; Huang, Jin-Shun","Syntheses, structures, and magnetic properties of one-dimensional coordination polymers based on N-succinopyridine ligand","CrystEngComm","2013","15","38","7670","","10.1039/c3ce41050a","","","0.71073","MoKα","","0.0758","0.064","","","0.1176","0.1246","","","","","","1","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210981","10.919","0.003","9.67","0.002","18.815","0.005","90","","95.275","0.004","90","","1978.2","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H22 Cl2 Gd N O11 -","- C9 H8 Cl2 Gd N O12 -","- C36 H32 Cl8 Gd4 N4 O48 -","4","1","","Cai, Li-Zhen; Wang, Ming-Sheng; Wang, Shuai-Hua; Li, Pei-Xin; Guo, Guo-Cong; Huang, Jin-Shun","Syntheses, structures, and magnetic properties of one-dimensional coordination polymers based on N-succinopyridine ligand","CrystEngComm","2013","15","38","7670","","10.1039/c3ce41050a","","","0.71073","MoKα","","0.0338","0.0284","","","0.0718","0.0738","","","","","","1.005","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210982","12.865","0.004","9.172","0.003","15.432","0.005","90","","113.897","0.005","90","","1664.8","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H18 Cl2 Er N O9 -","- C9 H18 Cl1.9951 Er N O9 -","- C36 H72 Cl7.9804 Er4 N4 O36 -","4","1","","Cai, Li-Zhen; Wang, Ming-Sheng; Wang, Shuai-Hua; Li, Pei-Xin; Guo, Guo-Cong; Huang, Jin-Shun","Syntheses, structures, and magnetic properties of one-dimensional coordination polymers based on N-succinopyridine ligand","CrystEngComm","2013","15","38","7670","","10.1039/c3ce41050a","","","0.71073","MoKα","","0.0338","0.0305","","","0.0707","0.0729","","","","","","1.056","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210983","15.999","0.0015","10.6917","0.0014","14.4959","0.0019","90","","116.938","0.008","90","","2210.6","0.5","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C42 H38 Co2 N8 O18 -","- C42 H32 Co2 N8 O18 -","- C84 H64 Co4 N16 O36 -","2","0.5","","Luo, Li; Lv, Gao-Chao; Wang, Peng; Liu, Qing; Chen, Kai; Sun, Wei-Yin","pH-Dependent cobalt(ii) frameworks with mixed 3,3′,5,5′-tetra(1H-imidazol-1-yl)-1,1′-biphenyl and 1,3,5-benzenetricarboxylate ligands: synthesis, structure and sorption property","CrystEngComm","2013","15","45","9537","","10.1039/c3ce41056k","","","0.71073","MoKα","","0.0703","0.0468","","","0.1091","0.1179","","","","","","1.105","","","","has coordinates,has disorder","180440","2020-10-21","18:00:00",""
"7210984","27.882","0.003","13.2793","0.0016","18.463","0.002","90","","107.198","0.002","90","","6530.3","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C66 H50 Co3 N16 O16 -","- C66 H42 Co3 N16 O16 -","- C264 H168 Co12 N64 O64 -","4","0.5","","Luo, Li; Lv, Gao-Chao; Wang, Peng; Liu, Qing; Chen, Kai; Sun, Wei-Yin","pH-Dependent cobalt(ii) frameworks with mixed 3,3′,5,5′-tetra(1H-imidazol-1-yl)-1,1′-biphenyl and 1,3,5-benzenetricarboxylate ligands: synthesis, structure and sorption property","CrystEngComm","2013","15","45","9537","","10.1039/c3ce41056k","","","0.71073","MoKα","","0.0719","0.057","","","0.1424","0.1494","","","","","","1.042","","","","has coordinates,has disorder","180440","2020-10-21","18:00:00",""
"7210985","20.096","0.001","23.088","0.001","14.616","0.001","90","","90","","90","","6781.5","0.6","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C33 H30 Co2 N8 O11 -","- C33 H25 Co2 N8 O11 -","- C264 H200 Co16 N64 O88 -","8","1","","Luo, Li; Lv, Gao-Chao; Wang, Peng; Liu, Qing; Chen, Kai; Sun, Wei-Yin","pH-Dependent cobalt(ii) frameworks with mixed 3,3′,5,5′-tetra(1H-imidazol-1-yl)-1,1′-biphenyl and 1,3,5-benzenetricarboxylate ligands: synthesis, structure and sorption property","CrystEngComm","2013","15","45","9537","","10.1039/c3ce41056k","","","0.71069","MoKα","","0.0579","0.0499","","","0.1499","0.1555","","","","","","1.337","","","","has coordinates,has disorder","180440","2020-10-21","18:00:00",""
"7210986","15.0103","0.0008","15.0103","0.0008","10.0791","0.0012","90","","90","","90","","2270.9","0.3","296","2","296","2","","","","","","","","5","P 42/m","-P 4c","84","","","","- C H Co N O -","- C3.03448 H1.51724 Co0.137931 N0.413793 O -","- C88 H44 Co4 N12 O29 -","29","3.625","","Hu, Fei-Long; Mi, Yan; Gu, Yun-Qiong; Zhu, Li-Gang; Yang, Sheng-Lan; Wei, Han; Lang, Jian-Ping","Structure diversities of ten entangled coordination polymers assembled from reactions of Co(ii) or Ni(ii) salts with 5-(pyridin-4-yl)isophthalic acid in the absence or presence of auxiliary N-donor ligands","CrystEngComm","2013","15","45","9553","","10.1039/c3ce41059e","","","0.71073","MoKα","","0.1061","0.0811","","","0.2106","0.2387","","","","","","1.107","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210987","17.465","0.018","9.797","0.01","16.253","0.016","90","","104.207","0.012","90","","2696","5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H13 Co N O7 -","- C13 H13 Co N O7 -","- C104 H104 Co8 N8 O56 -","8","1","","Hu, Fei-Long; Mi, Yan; Gu, Yun-Qiong; Zhu, Li-Gang; Yang, Sheng-Lan; Wei, Han; Lang, Jian-Ping","Structure diversities of ten entangled coordination polymers assembled from reactions of Co(ii) or Ni(ii) salts with 5-(pyridin-4-yl)isophthalic acid in the absence or presence of auxiliary N-donor ligands","CrystEngComm","2013","15","45","9553","","10.1039/c3ce41059e","","","0.71073","MoKα","","0.0467","0.0345","","","0.0864","0.0912","","","","","","1.05","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210988","7.233","0.003","10.039","0.005","10.219","0.005","114.141","0.005","99.715","0.005","103.757","0.006","627.4","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H0 N Ni O5 -","- C13 H11 N Ni O6 -","- C26 H22 N2 Ni2 O12 -","2","1","","Hu, Fei-Long; Mi, Yan; Gu, Yun-Qiong; Zhu, Li-Gang; Yang, Sheng-Lan; Wei, Han; Lang, Jian-Ping","Structure diversities of ten entangled coordination polymers assembled from reactions of Co(ii) or Ni(ii) salts with 5-(pyridin-4-yl)isophthalic acid in the absence or presence of auxiliary N-donor ligands","CrystEngComm","2013","15","45","9553","","10.1039/c3ce41059e","","","0.71073","MoKα","","0.0514","0.0403","","","0.097","0.1027","","","","","","1.044","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210989","10.344","0.007","13.377","0.009","15.091","0.01","76.574","0.009","78.994","0.008","85.999","0.008","1993","2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C92 H60 N12 O17 Zn4 -","- C92 H60 N12 O17 Zn4 -","- C92 H60 N12 O17 Zn4 -","1","0.5","","Hu, Fei-Long; Mi, Yan; Gu, Yun-Qiong; Zhu, Li-Gang; Yang, Sheng-Lan; Wei, Han; Lang, Jian-Ping","Structure diversities of ten entangled coordination polymers assembled from reactions of Co(ii) or Ni(ii) salts with 5-(pyridin-4-yl)isophthalic acid in the absence or presence of auxiliary N-donor ligands","CrystEngComm","2013","15","45","9553","","10.1039/c3ce41059e","","","0.71073","MoKα","","0.1921","0.0981","","","0.2324","0.2814","","","","","","0.936","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210990","10.22","0.015","13.41","0.02","15.08","0.02","76.59","0.02","78.429","0.017","86.24","0.02","1969","5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C92 H60 Co4 N12 O17 -","- C92 H60 Co4 N12 O17 -","- C92 H60 Co4 N12 O17 -","1","0.5","","Hu, Fei-Long; Mi, Yan; Gu, Yun-Qiong; Zhu, Li-Gang; Yang, Sheng-Lan; Wei, Han; Lang, Jian-Ping","Structure diversities of ten entangled coordination polymers assembled from reactions of Co(ii) or Ni(ii) salts with 5-(pyridin-4-yl)isophthalic acid in the absence or presence of auxiliary N-donor ligands","CrystEngComm","2013","15","45","9553","","10.1039/c3ce41059e","","","0.71073","MoKα","","0.2603","0.089","","","0.1816","0.2595","","","","","","0.947","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210991","12.824","0.009","10.318","0.007","31.48","0.02","90","","101.75","","90","","4078","5","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C H Co N O -","- C3.92157 H2.35294 Co0.156863 N0.470588 O0.627451 -","- C200 H120 Co8 N24 O32 -","51","12.75","","Hu, Fei-Long; Mi, Yan; Gu, Yun-Qiong; Zhu, Li-Gang; Yang, Sheng-Lan; Wei, Han; Lang, Jian-Ping","Structure diversities of ten entangled coordination polymers assembled from reactions of Co(ii) or Ni(ii) salts with 5-(pyridin-4-yl)isophthalic acid in the absence or presence of auxiliary N-donor ligands","CrystEngComm","2013","15","45","9553","","10.1039/c3ce41059e","","","0.71073","MoKα","","0.097","0.0588","","","0.1296","0.1424","","","","","","0.923","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210992","10.254","0.004","13.361","0.006","16.14","0.005","90","","125.468","0.018","90","","1800.9","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H40 N6 Ni2 O13 -","- C30 H40 N6 Ni2 O13 -","- C60 H80 N12 Ni4 O26 -","2","0.5","","Hu, Fei-Long; Mi, Yan; Gu, Yun-Qiong; Zhu, Li-Gang; Yang, Sheng-Lan; Wei, Han; Lang, Jian-Ping","Structure diversities of ten entangled coordination polymers assembled from reactions of Co(ii) or Ni(ii) salts with 5-(pyridin-4-yl)isophthalic acid in the absence or presence of auxiliary N-donor ligands","CrystEngComm","2013","15","45","9553","","10.1039/c3ce41059e","","","0.71073","MoKα","","0.0475","0.0404","","","0.1033","0.1081","","","","","","1.071","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210993","8.318","0.01","10.274","0.016","10.462","0.011","110.18","0.01","102.095","0.011","98.619","0.013","796.2","1.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H0 N0 O0 Pb -","- C18 H11 N2 O4 Pb -","- C36 H22 N4 O8 Pb2 -","2","1","","Hu, Fei-Long; Mi, Yan; Gu, Yun-Qiong; Zhu, Li-Gang; Yang, Sheng-Lan; Wei, Han; Lang, Jian-Ping","Structure diversities of ten entangled coordination polymers assembled from reactions of Co(ii) or Ni(ii) salts with 5-(pyridin-4-yl)isophthalic acid in the absence or presence of auxiliary N-donor ligands","CrystEngComm","2013","15","45","9553","","10.1039/c3ce41059e","","","0.71073","MoKα","","0.0479","0.0432","","","0.1063","0.1084","","","","","","1.058","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210994","20.547","0.009","9.966","0.005","15.687","0.007","90","","99.638","0.006","90","","3167","3","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C41 H0 Co N0 O0 -","- C25 H16 Co N5 O6 -","- C100 H64 Co4 N20 O24 -","4","0.5","","Hu, Fei-Long; Mi, Yan; Gu, Yun-Qiong; Zhu, Li-Gang; Yang, Sheng-Lan; Wei, Han; Lang, Jian-Ping","Structure diversities of ten entangled coordination polymers assembled from reactions of Co(ii) or Ni(ii) salts with 5-(pyridin-4-yl)isophthalic acid in the absence or presence of auxiliary N-donor ligands","CrystEngComm","2013","15","45","9553","","10.1039/c3ce41059e","","","0.71073","MoKα","","0.1095","0.0788","","","0.2189","0.2438","","","","","","1.077","","","","has coordinates,has disorder","180440","2020-10-21","18:00:00",""
"7210995","9.94","0.02","10.51","0.02","10.98","0.02","74.51","0.03","67.11","0.03","74.83","0.03","1002","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H13 Co N3 O9 -","- C19 H13 Co N3 O9 -","- C38 H26 Co2 N6 O18 -","2","1","","Hu, Fei-Long; Mi, Yan; Gu, Yun-Qiong; Zhu, Li-Gang; Yang, Sheng-Lan; Wei, Han; Lang, Jian-Ping","Structure diversities of ten entangled coordination polymers assembled from reactions of Co(ii) or Ni(ii) salts with 5-(pyridin-4-yl)isophthalic acid in the absence or presence of auxiliary N-donor ligands","CrystEngComm","2013","15","45","9553","","10.1039/c3ce41059e","","","0.71073","MoKα","","0.2175","0.0822","","","0.1619","0.2081","","","","","","0.818","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210996","12.2391","0.0009","16.214","0.0009","18.1327","0.001","106.807","0.005","103.456","0.006","105.134","0.006","3134.8","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H54 Eu2 N5 O26 P3 -","- C46 H38 Eu2 N5 O26 P3 -","- C92 H76 Eu4 N10 O52 P6 -","2","1","","Yu, Wen-Jing; Chen, Xi; Li, Jia; Li, Bao; Zhang, Tian-le; Tao, Jun","Lanthanide coordination polymers with hexa-carboxylate ligands derived from cyclotriphosphazene as bridging linkers: synthesis, thermal and luminescent properties","CrystEngComm","2013","15","38","7732","","10.1039/c3ce41060a","","","0.71073","MoKα","","0.1184","0.0769","","","0.195","0.2274","","","","","","1.03","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210997","34.882","0.004","12.059","0.002","15.391","0.003","90","","90","","90","","6474.1","1.8","293","2","293","2","","","","","","","","6","P b a n :2","-P 2ab 2b","50","","","","- C44 H51 Eu2 N4 O28 P3 -","- C44 H31 Eu2 N4 O28 P3 -","- C176 H124 Eu8 N16 O112 P12 -","4","0.5","","Yu, Wen-Jing; Chen, Xi; Li, Jia; Li, Bao; Zhang, Tian-le; Tao, Jun","Lanthanide coordination polymers with hexa-carboxylate ligands derived from cyclotriphosphazene as bridging linkers: synthesis, thermal and luminescent properties","CrystEngComm","2013","15","38","7732","","10.1039/c3ce41060a","","","0.71073","MoKα","","0.148","0.0752","","","0.1593","0.1892","","","","","","0.944","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210998","9.2371","0.0003","9.8604","0.0003","30.4599","0.001","96.869","0.003","92.323","0.002","92.071","0.002","2749.81","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H38 Eu2 N5 O24 P3 -","- C47 H38 Eu2 N5 O24 P3 -","- C94 H76 Eu4 N10 O48 P6 -","2","1","","Yu, Wen-Jing; Chen, Xi; Li, Jia; Li, Bao; Zhang, Tian-le; Tao, Jun","Lanthanide coordination polymers with hexa-carboxylate ligands derived from cyclotriphosphazene as bridging linkers: synthesis, thermal and luminescent properties","CrystEngComm","2013","15","38","7732","","10.1039/c3ce41060a","","","0.71073","MoKα","","0.0737","0.0594","","","0.127","0.1343","","","","","","1.052","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210999","33.0001","0.0004","33.0001","0.0004","33.0001","0.0004","90","","90","","90","","35937.3","0.8","293","2","293","2","","","","","","","","5","I 4 3 2","I 4 2 3","211","","","","- C330 H534 N51 O75 Tb3 -","- C132 H72 O27 Tb3 -","- C528 H288 O108 Tb12 -","4","0.0833333","","He, Yabing; Furukawa, Hiroyasu; Wu, Chuande; O'Keeffe, Michael; Chen, Banglin","A mesoporous lanthanide‒organic framework constructed from a dendritic hexacarboxylate with cages of 2.4 nm","CrystEngComm","2013","15","45","9328","","10.1039/c3ce41062e","","","0.71073","MoKα","","0.1777","0.0698","","","0.1495","0.1675","","","","","","1.052","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7211000","5.893","0.0007","8.8346","0.0011","15.801","0.002","99.553","0.006","99.826","0.007","109.432","0.006","742.11","0.17","296","2","296","2","","","","","","","synthesis","7","P 1","P 1","1","complex2","Complex2","","- C26 H34 Cl Cs Cu N2 O7 -","- C26 H34 Cl Cs Cu N2 O7 -","- C26 H34 Cl Cs Cu N2 O7 -","1","1","","Dubey, Mrigendra; Ray, Manabendra","Retention of Cs‒Cl bond induces coordination polymer formation over trinuclear chiral assembly of copper(ii) complexes of l-leucine derived ligand","CrystEngComm","2013","15","45","9648","","10.1039/c3ce41070f","","x-ray","0.71073","MoKα","","0.0647","0.057","","","0.1466","0.1515","","","","","","1.091","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211001","18.365","0.004","21.101","0.005","27.684","0.006","90","","90","","90","","10728","4","296","2","296","2","","","","","","","syn","6","C 2 2 21","C 2c 2","20","complex3","Complex3","","- C78 H114 Cs Cu3 N7 O27 -","- C78 H102 Cs Cu3 N6 O18 -","- C312 H408 Cs4 Cu12 N24 O72 -","4","0.5","","Dubey, Mrigendra; Ray, Manabendra","Retention of Cs‒Cl bond induces coordination polymer formation over trinuclear chiral assembly of copper(ii) complexes of l-leucine derived ligand","CrystEngComm","2013","15","45","9648","","10.1039/c3ce41070f","","x-ray","0.71073","MoKα","","0.1373","0.1041","","","0.2668","0.2883","","","","","","0.981","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211002","17.675","0.005","21.173","0.005","26.561","0.005","90","","90","","90","","9940","4","296","2","296","2","","","","","","","synthesis","7","C 2 2 21","C 2c 2","20","Complex5","Complex5","","- C78 H102 Br Cu3 K N6 O23 -","- C78 H102 Br Cu3 K N6 O23 -","- C312 H408 Br4 Cu12 K4 N24 O92 -","4","0.5","","Dubey, Mrigendra; Ray, Manabendra","Retention of Cs‒Cl bond induces coordination polymer formation over trinuclear chiral assembly of copper(ii) complexes of l-leucine derived ligand","CrystEngComm","2013","15","45","9648","","10.1039/c3ce41070f","","x-ray","0.71073","MoKα","","0.1428","0.057","","","0.1232","0.1631","","","","","","1.037","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211003","18.5555","0.0012","20.9943","0.0013","27.1327","0.0016","90","","90","","90","","10569.8","1.1","296","2","296","2","","","","","","","syn","7","C 2 2 21","C 2c 2","20","Complex6","Complex6","","- C80 H96 Cu3 I K N6 O27 -","- C80 H96 Cu3 I K N6 O27 -","- C320 H384 Cu12 I4 K4 N24 O108 -","4","0.5","","Dubey, Mrigendra; Ray, Manabendra","Retention of Cs‒Cl bond induces coordination polymer formation over trinuclear chiral assembly of copper(ii) complexes of l-leucine derived ligand","CrystEngComm","2013","15","45","9648","","10.1039/c3ce41070f","","x-ray","0.71073","MoKα","","0.1504","0.1101","","","0.3032","0.3224","","","","","","1.074","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211004","6.115","0.002","6.85","0.001","20.781","0.002","90","","90","","90","","870.5","0.3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H14 Cl N O3 -","- C5 H14 Cl N O3 -","- C20 H56 Cl4 N4 O12 -","4","1","","Adhikari, Soma; Seth, Saikat Kumar; Kar, Tanusree","Structural studies and physicochemical properties of l-valine hydrochloride monohydrate","CrystEngComm","2013","15","36","7372","","10.1039/c3ce41079j","","","0.71073","MoKα","","0.0178","0.0178","","","0.0465","0.0465","","","","","","1.171","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211005","12.2465","0.0018","8.9751","0.0013","21.857","0.003","90","","116.809","0.006","90","","2144.2","0.5","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 N6 O4 -","- C26 H22 N6 O4 -","- C104 H88 N24 O16 -","4","1","","Richards, Victoria J.; Blake, Alexander J.; Lewis, William; Nowell, Harriott; Parmenter, Christopher D. J.; Champness, Neil R.","Manganese(ii) and copper(ii) nitrate bis-imidazole coordination polymers: dimensionality and product morphology","CrystEngComm","2013","15","45","9704","","10.1039/c3ce41082j","","","0.71073","MoKα","","0.11","0.0957","","","0.167","0.173","","","","","","1.29","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211006","10.959","0.01","12.244","0.01","14.385","0.017","87.42","0.05","88.82","0.05","68.55","0.05","1795","3","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C79 H70 Mn N20 O19 -","- C78 H66 Mn N20 O18 -","- C78 H66 Mn N20 O18 -","1","0.5","","Richards, Victoria J.; Blake, Alexander J.; Lewis, William; Nowell, Harriott; Parmenter, Christopher D. J.; Champness, Neil R.","Manganese(ii) and copper(ii) nitrate bis-imidazole coordination polymers: dimensionality and product morphology","CrystEngComm","2013","15","45","9704","","10.1039/c3ce41082j","","","0.71075","MoKα","","0.164","0.0977","","","0.207","0.241","","","","","","1.125","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211007","8.861","0.005","13.585","0.007","19.115","0.009","97.849","0.004","94.829","0.006","106.464","0.01","2167.6","1.9","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C82 H70 Cl12 Mn N20 O18 -","- C78 H66 Mn N18 O12 -","- C78 H66 Mn N18 O12 -","1","0.5","","Richards, Victoria J.; Blake, Alexander J.; Lewis, William; Nowell, Harriott; Parmenter, Christopher D. J.; Champness, Neil R.","Manganese(ii) and copper(ii) nitrate bis-imidazole coordination polymers: dimensionality and product morphology","CrystEngComm","2013","15","45","9704","","10.1039/c3ce41082j","","","0.6889","synchrotron","","0.137","0.119","","","0.338","0.355","","","","","","1.078","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211008","35.385","0.011","8.383","0.003","20.831","0.006","90","","122.313","0.005","90","","5222","3","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C55 H51 Mn N15 O15 -","- C55 H51 Mn N15 O15 -","- C220 H204 Mn4 N60 O60 -","4","0.5","","Richards, Victoria J.; Blake, Alexander J.; Lewis, William; Nowell, Harriott; Parmenter, Christopher D. J.; Champness, Neil R.","Manganese(ii) and copper(ii) nitrate bis-imidazole coordination polymers: dimensionality and product morphology","CrystEngComm","2013","15","45","9704","","10.1039/c3ce41082j","","","0.71073","MoKα","","0.127","0.0839","","","0.182","0.199","","","","","","1.084","","","","has coordinates,has disorder","180441","2020-10-21","18:00:00",""
"7211009","11.4086","0.0015","25.257","0.003","12.6476","0.0017","90","","103.292","0.003","90","","3546.7","0.8","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H52 Cu9 N12 O43 S4 -","- C44 H42 Cu9 N12 O43 S4 -","- C88 H84 Cu18 N24 O86 S8 -","2","0.5","","Zhu, Xia; Zhao, Shan; Peng, Yan-Fen; Li, Bao-Long; Wu, Bing","A (3,14)-connected three-dimensional metal‒organic framework based on the unprecedented enneanuclear copper(ii) cluster [Cu9(μ3-OH)4(μ2-OH)2]","CrystEngComm","2013","15","44","9154","","10.1039/c3ce41086b","","","0.71075","MoKα","","0.0934","0.0743","","","0.1752","0.1909","","","","","","1.076","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211010","7.6333","0.0003","24.1332","0.0011","30.5291","0.0014","90","","93.505","0.003","90","","5613.4","0.4","228","2","228","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","MMPF-7","","","- C48 H24 In1.29 N4 O8.57 -","- C48 H24 In1.285 N4 O8.57 -","- C192 H96 In5.14 N16 O34.28 -","4","0.5","","Gao, Wen-Yang; Zhang, Zhuxiu; Cash, Lindsay; Wojtas, Lukasz; Chen, Yu-Sheng; Ma, Shengqian","Two rare indium-based porous metal‒metalloporphyrin frameworks exhibiting interesting CO2 uptake","CrystEngComm","2013","15","45","9320","","10.1039/c3ce41090k","","","1.54178","CuKα","","0.0758","0.0535","","","0.1291","0.1367","","","","","","0.951","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211011","41.982","0.002","21.5588","0.0012","43.755","0.002","90","","92.635","0.001","90","","39560","3","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","MMPF-8","","","- C72 H40 In2 N4 O10 -","- C72 H40 In2 N4 O10 -","- C1152 H640 In32 N64 O160 -","16","4","","Gao, Wen-Yang; Zhang, Zhuxiu; Cash, Lindsay; Wojtas, Lukasz; Chen, Yu-Sheng; Ma, Shengqian","Two rare indium-based porous metal‒metalloporphyrin frameworks exhibiting interesting CO2 uptake","CrystEngComm","2013","15","45","9320","","10.1039/c3ce41090k","","","0.41328","synchrotron","","0.1043","0.0699","","","0.177","0.1891","","","","","","1.049","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211012","15.1849","0.0004","17.0797","0.0004","18.8731","0.0004","90","","97.172","0.002","90","","4856.5","0.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H29 Cu2 N3 O10 -","- C30 H29 Cu2 N3 O10 -","- C120 H116 Cu8 N12 O40 -","4","0.5","","Ju, Zhanfeng; Yuan, Daqiang","Wings waving: coordinating solvent-induced structural diversity of new Cu(ii) flexible MOFs with crystal to crystal transformation and gas sorption capability","CrystEngComm","2013","15","45","9513","","10.1039/c3ce41095a","","","1.54184","CuKα","","0.0528","0.048","","","0.1491","0.156","","","","","","1.069","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211013","10.6325","0.0009","10.7258","0.0008","18.3532","0.0014","76.671","0.006","86.717","0.006","74.278","0.007","1960.4","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H19 Cu2 N O10 -","- C24 H15 Cu2 N O10 -","- C48 H30 Cu4 N2 O20 -","2","1","","Ju, Zhanfeng; Yuan, Daqiang","Wings waving: coordinating solvent-induced structural diversity of new Cu(ii) flexible MOFs with crystal to crystal transformation and gas sorption capability","CrystEngComm","2013","15","45","9513","","10.1039/c3ce41095a","","","1.54184","CuKα","","0.1269","0.0903","","","0.2137","0.2342","","","","","","0.982","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211014","25.622","0.002","13.8443","0.0013","25.612","0.004","90","","116.582","0.001","90","","8124.7","1.6","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H34 N0 O16 Si2 Zn3 -","- C56 H34 O16 Si2 Zn3 -","- C224 H136 O64 Si8 Zn12 -","4","0.5","","Zhang, Muwei; Chen, Ying-Pin; Zhou, Hong-Cai","Structural design of porous coordination networks from tetrahedral building units","CrystEngComm","2013","15","45","9544","","10.1039/c3ce41105b","","","0.71073","MoKα","","0.0595","0.0536","","","0.1259","0.1282","","","","","","1.006","","","","has coordinates,has disorder","180441","2020-10-21","18:00:00",""
"7211015","13.935","0.0016","14.196","0.003","14.6708","0.0017","107.988","0.002","113.735","0.001","100.298","0.002","2368.8","0.6","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C82 H84 N6 O24 Si2 Zn5 -","- C82 H84 N6 O24 Si2 Zn5 -","- C82 H84 N6 O24 Si2 Zn5 -","1","0.5","","Zhang, Muwei; Chen, Ying-Pin; Zhou, Hong-Cai","Structural design of porous coordination networks from tetrahedral building units","CrystEngComm","2013","15","45","9544","","10.1039/c3ce41105b","","","0.71073","MoKα","","0.0963","0.0777","","","0.2562","0.2693","","","","","","1","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211016","13.9817","0.0019","14.1817","0.0019","14.27","0.003","115.922","0.002","113.196","0.002","97.144","0.001","2183.4","0.6","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C82 H90 Cd4 N6 O24 Si2 -","- C82 H90 Cd4 N6 O24 Si2 -","- C82 H90 Cd4 N6 O24 Si2 -","1","0.5","","Zhang, Muwei; Chen, Ying-Pin; Zhou, Hong-Cai","Structural design of porous coordination networks from tetrahedral building units","CrystEngComm","2013","15","45","9544","","10.1039/c3ce41105b","","","0.71073","MoKα","","0.034","0.0326","","","0.0805","0.0813","","","","","","1.007","","","","has coordinates,has disorder","180441","2020-10-21","18:00:00",""
"7211017","13.875","0.007","14.072","0.007","14.208","0.007","116.3","0.005","109.724","0.005","101.428","0.005","2133.1","1.9","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H88 Cd4 N8 O24 Si2 -","- C80 H88 Cd4 N8 O24 Si2 -","- C80 H88 Cd4 N8 O24 Si2 -","1","0.5","","Zhang, Muwei; Chen, Ying-Pin; Zhou, Hong-Cai","Structural design of porous coordination networks from tetrahedral building units","CrystEngComm","2013","15","45","9544","","10.1039/c3ce41105b","","","0.71073","MoKα","","0.0549","0.0491","","","0.117","0.1213","","","","","","1.001","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211018","38.22","0.02","29.788","0.019","25.377","0.016","90","","99.005","0.008","90","","28536","3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C112 H66 O39 Si4 Zn9 -","- C112 H66 O39 Si4 Zn9 -","- C448 H264 O156 Si16 Zn36 -","4","1","","Zhang, Muwei; Chen, Ying-Pin; Zhou, Hong-Cai","Structural design of porous coordination networks from tetrahedral building units","CrystEngComm","2013","15","45","9544","","10.1039/c3ce41105b","","","0.71073","MoKα","","0.2487","0.0803","","","0.1782","0.1895","","","","","","1.001","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211019","12.706","0.004","12.706","0.004","23.817","0.008","90","","90","","90","","3845","2","110","2","110","2","","","","","","","","5","P 42/m m c","-P 4c 2","131","","","","- C28 H16 O10 Si Zn2 -","- C28 H16 O10 Si Zn2 -","- C56 H32 O20 Si2 Zn4 -","2","0.125","","Zhang, Muwei; Chen, Ying-Pin; Zhou, Hong-Cai","Structural design of porous coordination networks from tetrahedral building units","CrystEngComm","2013","15","45","9544","","10.1039/c3ce41105b","","","0.71073","MoKα","","0.1014","0.0537","","","0.1166","0.127","","","","","","1.008","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211020","13.775","0.004","14.507","0.004","24.244","0.007","83.217","0.003","81.797","0.003","65.572","0.003","4357","2","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H32 Cd4 O20 Si2 -","- C56 H32 Cd4 O20 Si2 -","- C112 H64 Cd8 O40 Si4 -","2","1","","Zhang, Muwei; Chen, Ying-Pin; Zhou, Hong-Cai","Structural design of porous coordination networks from tetrahedral building units","CrystEngComm","2013","15","45","9544","","10.1039/c3ce41105b","","","0.71073","MoKα","","0.152","0.1254","","","0.2771","0.2893","","","","","","1.008","","","","has coordinates,has disorder","180441","2020-10-21","18:00:00",""
"7211021","36.85","0.02","7.469","0.004","8.756","0.005","90","","90","","90","","2410","2","173","2","173","2","","","","","","","","6","I m m a","-I 2b 2","74","","","","- C26 H26 Mg N0 O5 S -","- C26 H26 Mg O5 S -","- C104 H104 Mg4 O20 S4 -","4","0.25","","Liu, Yangyang; Chen, Ying-Pin; Liu, Tian-Fu; Yakovenko, Andrey A.; Raiff, Aaron M.; Zhou, Hong-Cai","Selective gas adsorption and unique phase transition properties in a stable magnesium metal-organic framework constructed from infinite metal chains","CrystEngComm","2013","15","45","9688","","10.1039/c3ce41106k","","","0.71073","MoKα","","0.1139","0.0676","","","0.1946","0.2291","","","","","","1.053","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211022","9.8606","0.0015","11.6737","0.0017","12.5124","0.0018","66.93","0.002","74.602","0.003","65.787","0.002","1199.1","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H38 Cd3 F12 N2 O20 -","- C36 H38 Cd3 F12 N2 O20 -","- C36 H38 Cd3 F12 N2 O20 -","1","0.5","","Chen, Sheng-Chun; Zhang, Zhi-Hui; Huang, Kun-Lin; Luo, Hai-Kun; He, Ming-Yang; Du, Miao; Chen, Qun","Alkali-metal-regulated construction of superhydrophilic ZnII and CdII coordination polymers with perhalogenated terephthalate ligands","CrystEngComm","2013","15","45","9613","","10.1039/c3ce41108g","","","0.71073","MoKα","","0.0439","0.0358","","","0.1167","0.1531","","","","","","1.015","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211023","5.4767","0.0007","10.4619","0.0013","17.4891","0.0019","90","","106.381","0.004","90","","961.4","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 Cd F4 N2 O8 -","- C14 H18 Cd F4 N2 O8 -","- C28 H36 Cd2 F8 N4 O16 -","2","0.5","","Chen, Sheng-Chun; Zhang, Zhi-Hui; Huang, Kun-Lin; Luo, Hai-Kun; He, Ming-Yang; Du, Miao; Chen, Qun","Alkali-metal-regulated construction of superhydrophilic ZnII and CdII coordination polymers with perhalogenated terephthalate ligands","CrystEngComm","2013","15","45","9613","","10.1039/c3ce41108g","","","0.71073","MoKα","","0.0255","0.0239","","","0.0723","0.0733","","","","","","1.074","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211024","18.597","0.004","17.566","0.003","19.258","0.004","90","","116.427","0.002","90","","5633.7","1.9","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C37 H32 Cl12 N4 Na2 O17 Zn2 -","- C37 H32 Cl12 N4 Na2 O17 Zn2 -","- C148 H128 Cl48 N16 Na8 O68 Zn8 -","4","0.5","","Chen, Sheng-Chun; Zhang, Zhi-Hui; Huang, Kun-Lin; Luo, Hai-Kun; He, Ming-Yang; Du, Miao; Chen, Qun","Alkali-metal-regulated construction of superhydrophilic ZnII and CdII coordination polymers with perhalogenated terephthalate ligands","CrystEngComm","2013","15","45","9613","","10.1039/c3ce41108g","","","0.71073","MoKα","","0.0856","0.0637","","","0.1737","0.197","","","","","","1.033","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211025","10.3749","0.0008","17.7228","0.0014","14.3154","0.0011","90","","106.919","0.002","90","","2518.3","0.3","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 Cl6 K N2 O7 Zn -","- C17 H14 Cl6 K N2 O7 Zn -","- C68 H56 Cl24 K4 N8 O28 Zn4 -","4","1","","Chen, Sheng-Chun; Zhang, Zhi-Hui; Huang, Kun-Lin; Luo, Hai-Kun; He, Ming-Yang; Du, Miao; Chen, Qun","Alkali-metal-regulated construction of superhydrophilic ZnII and CdII coordination polymers with perhalogenated terephthalate ligands","CrystEngComm","2013","15","45","9613","","10.1039/c3ce41108g","","","0.71073","MoKα","","0.0563","0.0373","","","0.1167","0.1364","","","","","","1.039","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211026","14.426","0.003","47.197","0.008","7.0539","0.0013","90","","107.58","0.008","90","","4578.4","1.5","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H54 Cd8 F32 O59 -","- C64 H54 Cd8 F32 O59 -","- C128 H108 Cd16 F64 O118 -","2","0.25","","Chen, Sheng-Chun; Zhang, Zhi-Hui; Huang, Kun-Lin; Luo, Hai-Kun; He, Ming-Yang; Du, Miao; Chen, Qun","Alkali-metal-regulated construction of superhydrophilic ZnII and CdII coordination polymers with perhalogenated terephthalate ligands","CrystEngComm","2013","15","45","9613","","10.1039/c3ce41108g","","","0.71073","MoKα","","0.0803","0.0556","","","0.1293","0.1362","","","","","","1.099","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211027","5.349","0.002","12.309","0.006","15.159","0.006","90","","95.851","0.009","90","","992.9","0.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H20 Cl4 O14 Zn -","- C8 H20 Cl4 O14 Zn -","- C16 H40 Cl8 O28 Zn2 -","2","0.5","","Chen, Sheng-Chun; Zhang, Zhi-Hui; Huang, Kun-Lin; Luo, Hai-Kun; He, Ming-Yang; Du, Miao; Chen, Qun","Alkali-metal-regulated construction of superhydrophilic ZnII and CdII coordination polymers with perhalogenated terephthalate ligands","CrystEngComm","2013","15","45","9613","","10.1039/c3ce41108g","","","0.71073","MoKα","","0.0713","0.0597","","","0.1689","0.1716","","","","","","1.055","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211028","24.377","0.003","24.377","0.003","24.856","0.005","90","","90","","120","","12792","3","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C48 H36 Co9 N36 Na6 O66 -","- C48 H6 Co9 N36 Na6 O66 -","- C144 H18 Co27 N108 Na18 O198 -","3","0.166667","","Tian, Dan; Liu, Sui-Jun; Chang, Ze; Zhang, Ying-Hui; Zhao, Jiong-Peng; Bu, Xian-He","Edge-directed assembly of a 3D 2p–3d heterometallic metal–organic framework based on a cubic Co8(TzDC)12 cage","CrystEngComm","2013","15","45","9344","","10.1039/c3ce41117f","","","0.71073","MoKα","","0.2073","0.1868","","","0.534","0.5476","","","","","","2.188","","","","has coordinates","287753","2023-11-23","09:34:45",""
"7211029","23.91","0.003","23.91","0.003","23.91","0.003","90","","90","","90","","13669","3","296","2","296","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C72 H36 O32 Zr6 -","- C72 H36 O32 Zr6 -","- C288 H144 O128 Zr24 -","4","0.0208333","","Bon, Volodymyr; Senkovska, Irena; Weiss, Manfred S.; Kaskel, Stefan","Tailoring of network dimensionality and porosity adjustment in Zr- and Hf-based MOFs","CrystEngComm","2013","15","45","9572","","10.1039/c3ce41121d","","x-ray","0.88561","synchrotron","","0.0734","0.0701","","","0.1881","0.1934","","","","","","1.089","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211030","16.994","0.003","18.454","0.004","22.477","0.004","90","","90","","90","","7049","2","296","2","296","2","","","","","","","","4","I m m m","-I 2 2","71","","","","- C48 H24 Hf6 O32 -","- C48 H24 Hf6 O32 -","- C96 H48 Hf12 O64 -","2","0.125","","Bon, Volodymyr; Senkovska, Irena; Weiss, Manfred S.; Kaskel, Stefan","Tailoring of network dimensionality and porosity adjustment in Zr- and Hf-based MOFs","CrystEngComm","2013","15","45","9572","","10.1039/c3ce41121d","","x-ray","0.88561","synchrotron","","0.0547","0.05","","","0.1512","0.1619","","","","","","1.18","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211031","17.6","0.002","17.6","0.002","22.6","0.004","90","","90","","90","","7000.6","1.7","293","2","296","2","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- C48 H24 Hf6 O32 -","- C48 H24 Hf6 O32 -","- C96 H48 Hf12 O64 -","2","0.0625","","Bon, Volodymyr; Senkovska, Irena; Weiss, Manfred S.; Kaskel, Stefan","Tailoring of network dimensionality and porosity adjustment in Zr- and Hf-based MOFs","CrystEngComm","2013","15","45","9572","","10.1039/c3ce41121d","","x-ray","0.88561","synchrotron","","0.0579","0.0554","","","0.1624","0.1642","","","","","","1.17","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211032","22.53","0.005","25.38","0.005","16.9","0.003","90","","90","","90","","9664","3","296","2","296","2","","","","","","","","4","C m m a","-C 2a 2","67","","","","- C40 H24 O32 Zr6 -","- C40 H24 O32 Zr6 -","- C160 H96 O128 Zr24 -","4","0.25","","Bon, Volodymyr; Senkovska, Irena; Weiss, Manfred S.; Kaskel, Stefan","Tailoring of network dimensionality and porosity adjustment in Zr- and Hf-based MOFs","CrystEngComm","2013","15","45","9572","","10.1039/c3ce41121d","","x-ray","0.88561","synchrotron","","0.1512","0.123","","","0.3064","0.3232","","","","","","1.527","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211033","13.0268","0.0004","23.255","0.0006","10.1923","0.0003","90","","90","","90","","3087.64","0.15","296","2","296","2","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C69 H50 In2 N4 O14 -","- C69 H50 In2 N4 O14 -","- C138 H100 In4 N8 O28 -","2","0.5","","Aguirre-Díaz, Lina María; Iglesias, Marta; Snejko, Natalia; Gutiérrez-Puebla, Enrique; Monge, M. Ángeles","Indium metal‒organic frameworks as catalysts in solvent-free cyanosilylation reaction","CrystEngComm","2013","15","45","9562","","10.1039/c3ce41123k","","","1.54178","CuKα","","0.0978","0.0587","","","0.1544","0.1814","","","","","","1.001","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211034","12.4606","0.0003","23.6079","0.0007","10.0948","0.0003","90","","90","","90","","2969.57","0.14","296","2","296","2","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C65 H50 In2 N4 O14 -","- C65 H50 In2 N4 O14 -","- C130 H100 In4 N8 O28 -","2","0.5","","Aguirre-Díaz, Lina María; Iglesias, Marta; Snejko, Natalia; Gutiérrez-Puebla, Enrique; Monge, M. Ángeles","Indium metal‒organic frameworks as catalysts in solvent-free cyanosilylation reaction","CrystEngComm","2013","15","45","9562","","10.1039/c3ce41123k","","","1.54178","CuKα","","0.1326","0.0717","","","0.2095","0.2542","","","","","","1.038","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211035","18.7659","0.0011","18.7659","0.0011","11.3114","0.0013","90","","90","","120","","3449.7","0.5","296","2","296","2","","","","","","","","6","P -3","-P 3","147","","","","- C48 H36 Cu6 O70 P W12 -","- C48 H36 Cu6 O70 P W12 -","- C48 H36 Cu6 O70 P W12 -","1","0.166667","","He, Zhi; Pang, Qingqing; Rankine, Damien; Sumby, Christopher J.; Zhang, Lijuan; Doonan, Christian J.; Li, Qiaowei","Encapsulation of polyoxometalates within layered metal‒organic frameworks with topological and pore control","CrystEngComm","2013","15","45","9340","","10.1039/c3ce41136b","","","0.71073","MoKα","","0.1406","0.1045","","","0.3207","0.3418","","","","","","1.187","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211036","29.26","0.04","9.821","0.014","18.95","0.03","90","","113.821","0.017","90","","4982","13","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H21 Cu N O5 -","- C24 H21 Cu N O5 -","- C192 H168 Cu8 N8 O40 -","8","1","","He, Zhi; Pang, Qingqing; Rankine, Damien; Sumby, Christopher J.; Zhang, Lijuan; Doonan, Christian J.; Li, Qiaowei","Encapsulation of polyoxometalates within layered metal‒organic frameworks with topological and pore control","CrystEngComm","2013","15","45","9340","","10.1039/c3ce41136b","","","0.71073","MoKα","","0.102","0.0582","","","0.2105","0.232","","","","","","0.707","","","","has coordinates,has disorder","180441","2020-10-21","18:00:00",""
"7211037","18.041","0.0038","27.83","0.0058","24.1272","0.0051","90","","106.695","0.003","90","","11603","4","293","2","293","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C118 H142 Cu4 N10 O88 P W12 -","- C118 H142 Cu4 N10 O88 P W12 -","- C236 H284 Cu8 N20 O176 P2 W24 -","2","0.5","","He, Zhi; Pang, Qingqing; Rankine, Damien; Sumby, Christopher J.; Zhang, Lijuan; Doonan, Christian J.; Li, Qiaowei","Encapsulation of polyoxometalates within layered metal‒organic frameworks with topological and pore control","CrystEngComm","2013","15","45","9340","","10.1039/c3ce41136b","","","0.71073","MoKα","","0.1178","0.0673","","","0.2236","0.2716","","","","","","1.063","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211038","10.3697","0.0004","12.6801","0.0003","7.7756","0.0002","90","","109.059","0.004","90","","966.36","0.06","120","","120","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C3 H8 N3 Na O3 S3 -","- C3 H8 N3 Na O3 S3 -","- C12 H32 N12 Na4 O12 S12 -","4","2","","Tominaka, Satoshi; Henke, Sebastian; Cheetham, Anthony K.","Coordination polymers of alkali metal trithiocyanurates: structure determinations and ionic conductivity measurements using single crystals","CrystEngComm","2013","15","45","9400","","10.1039/c3ce41150h","","","1.5418","CuKα","","0.0315","0.029","","","0.0797","0.0931","","","","","","1.16","","","","has coordinates","287753","2023-11-23","09:34:45",""
"7211039","10.453","0.0002","12.7369","0.0002","7.86207","0.00017","90","","109.644","0.002","90","","985.83","0.03","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C3 H8 N3 Na O3 S3 -","- C3 H8 N3 Na O3 S3 -","- C12 H32 N12 Na4 O12 S12 -","4","1","","Tominaka, Satoshi; Henke, Sebastian; Cheetham, Anthony K.","Coordination polymers of alkali metal trithiocyanurates: structure determinations and ionic conductivity measurements using single crystals","CrystEngComm","2013","15","45","9400","","10.1039/c3ce41150h","","","1.5418","CuKα","","0.0263","0.0254","","","0.0708","0.0716","","","","","","1.077","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211040","7.3438","0.0004","10.3247","0.0004","11.6813","0.0005","76.285","0.003","80.914","0.004","87.551","0.004","849.64","0.07","298.6","0.2","298.6","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H8 K2 N6 O2 S6 -","- C6 H8 K2 N6 O2 S6 -","- C12 H16 K4 N12 O4 S12 -","2","1","","Tominaka, Satoshi; Henke, Sebastian; Cheetham, Anthony K.","Coordination polymers of alkali metal trithiocyanurates: structure determinations and ionic conductivity measurements using single crystals","CrystEngComm","2013","15","45","9400","","10.1039/c3ce41150h","","","1.5418","CuKα","","0.0401","0.0372","","","0.1028","0.1066","","","","","","1.054","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211041","7.3545","0.0003","10.5336","0.0004","11.7338","0.0005","76.921","0.004","80.641","0.004","88.73","0.004","873.54","0.06","298.6","0.8","298.6","0.8","","","","","","","","6","P -1","-P 1","2","","","","- C6 H8 N6 O2 Rb2 S6 -","- C6 H8 N6 O2 Rb2 S6 -","- C12 H16 N12 O4 Rb4 S12 -","2","1","","Tominaka, Satoshi; Henke, Sebastian; Cheetham, Anthony K.","Coordination polymers of alkali metal trithiocyanurates: structure determinations and ionic conductivity measurements using single crystals","CrystEngComm","2013","15","45","9400","","10.1039/c3ce41150h","","","1.5418","CuKα","","0.0366","0.0325","","","0.0885","0.0928","","","","","","1.068","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211042","7.5673","0.0003","11.2806","0.0006","11.4428","0.0004","107.984","0.004","94.103","0.003","102.469","0.004","897.06","0.07","298.9","0.8","298.9","0.8","","","","","","","","6","P -1","-P 1","2","","","","- C6 H10.5 N6 O3 Rb1.5 S6 -","- C6 H10.5 N6 O3 Rb1.5 S6 -","- C12 H21 N12 O6 Rb3 S12 -","2","1","","Tominaka, Satoshi; Henke, Sebastian; Cheetham, Anthony K.","Coordination polymers of alkali metal trithiocyanurates: structure determinations and ionic conductivity measurements using single crystals","CrystEngComm","2013","15","45","9400","","10.1039/c3ce41150h","","","1.5418","CuKα","","0.0303","0.0295","","","0.0745","0.075","","","","","","1.222","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211043","5.1031","0.0003","7.9838","0.0006","10.9408","0.0006","96.431","0.005","103.27","0.005","104.265","0.005","413.7","0.05","300","0.14","300","0.14","","","","","","","","5","P -1","-P 1","2","","","","- C3 H2 Cs N3 S3 -","- C3 H2 Cs N3 S3 -","- C6 H4 Cs2 N6 S6 -","2","1","","Tominaka, Satoshi; Henke, Sebastian; Cheetham, Anthony K.","Coordination polymers of alkali metal trithiocyanurates: structure determinations and ionic conductivity measurements using single crystals","CrystEngComm","2013","15","45","9400","","10.1039/c3ce41150h","","","1.5418","CuKα","","0.0307","0.0301","","","0.0852","0.0857","","","","","","1.149","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211044","5.41409","0.00008","21.2829","0.0003","14.9761","0.0002","90","","92.3402","0.0013","90","","1724.22","0.04","300","0.14","300","0.14","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C6 H4 Cs2 N6 S6 -","- C6 H4 Cs2 N6 S6 -","- C24 H16 Cs8 N24 S24 -","4","1","","Tominaka, Satoshi; Henke, Sebastian; Cheetham, Anthony K.","Coordination polymers of alkali metal trithiocyanurates: structure determinations and ionic conductivity measurements using single crystals","CrystEngComm","2013","15","45","9400","","10.1039/c3ce41150h","","","1.5418","CuKα","","0.0478","0.046","","","0.1207","0.1236","","","","","","1.223","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211045","15.435","0.007","6.762","0.003","8.883","0.004","90","","96.343","0.002","90","","921.5","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H32 N4 O2 -","- C16 H32 N4 O2 -","- C32 H64 N8 O4 -","2","0.5","","Schmidt, Marko; Zehe, Christoph S.; Siegel, Renée; Heigl, Johannes U.; Steinlein, Christoph; Schmidt, Hans-Werner; Senker, Jürgen","NMR-crystallographic study of two-dimensionally self-assembled cyclohexane-based low-molecular-mass organic compounds","CrystEngComm","2013","15","43","8784","","10.1039/c3ce41158c","","","1.54056","CuKα1","","","","","","","","","","","","","","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211046","6.092","0.003","7.325","0.004","12.473","0.006","73.828","0.003","83.507","0.003","87.597","0.002","531.1","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H32 N4 O4 -","- C18 H32 N4 O4 -","- C18 H32 N4 O4 -","1","0.5","","Schmidt, Marko; Zehe, Christoph S.; Siegel, Renée; Heigl, Johannes U.; Steinlein, Christoph; Schmidt, Hans-Werner; Senker, Jürgen","NMR-crystallographic study of two-dimensionally self-assembled cyclohexane-based low-molecular-mass organic compounds","CrystEngComm","2013","15","43","8784","","10.1039/c3ce41158c","","","1.54056","CuKα1","","","","","","","","","","","","","","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211047","14.183","0.003","6.159","0.001","9.889","0.002","90","","98.383","0.001","90","","854.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H30 N2 O2 -","- C16 H30 N2 O2 -","- C32 H60 N4 O4 -","2","0.5","","Schmidt, Marko; Zehe, Christoph S.; Siegel, Renée; Heigl, Johannes U.; Steinlein, Christoph; Schmidt, Hans-Werner; Senker, Jürgen","NMR-crystallographic study of two-dimensionally self-assembled cyclohexane-based low-molecular-mass organic compounds","CrystEngComm","2013","15","43","8784","","10.1039/c3ce41158c","","","1.54056","CuKα1","","","","","","","","","","","","","","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211048","6.616","0.005","11.643","0.005","30.632","0.005","90","0.005","95.291","0.005","90","0.005","2350","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 Ag N11 O8 -","- C16 H22 Ag N11 O8 -","- C64 H88 Ag4 N44 O32 -","4","1","","Prajapati, Rajneesh Kumar; Kumar, Jitendra; Verma, Sandeep","Counteranion-directed structural consequences in silver‒adenine N-oxide complexes","CrystEngComm","2013","15","45","9316","","10.1039/c3ce41164h","","","0.71069","MoKα","","0.0449","0.0318","","","0.0761","0.0817","","","","","","1.068","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211049","6.72","0.005","11.611","0.005","30.232","0.005","90","","95.504","0.005","90","","2348","2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","N9-propyladenine-N1-oxide_AgBF4","","","- C16 H22 Ag B F4 N10 O4 -","- C16 H22 Ag B F4 N10 O4 -","- C64 H88 Ag4 B4 F16 N40 O16 -","4","1","","Prajapati, Rajneesh Kumar; Kumar, Jitendra; Verma, Sandeep","Counteranion-directed structural consequences in silver‒adenine N-oxide complexes","CrystEngComm","2013","15","45","9316","","10.1039/c3ce41164h","","","0.71069","MoKα","","0.0816","0.0575","","","0.1554","0.1941","","","","","","1.046","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211050","16.106","0.005","6.901","0.005","21.48","0.005","90","0.005","93.47","0.005","90","0.005","2383","2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 Ag F6 N10 O3 P -","- C16 H22 Ag F6 N10 O3 P -","- C64 H88 Ag4 F24 N40 O12 P4 -","4","1","","Prajapati, Rajneesh Kumar; Kumar, Jitendra; Verma, Sandeep","Counteranion-directed structural consequences in silver‒adenine N-oxide complexes","CrystEngComm","2013","15","45","9316","","10.1039/c3ce41164h","","","0.71069","MoKα","","0.1013","0.0701","","","0.1751","0.2182","","","","","","1.094","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211051","20.15","0.005","6.903","0.005","20.342","0.005","90","0.005","116.516","0.005","90","0.005","2532","2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H24 Ag F3 N10 O7 S -","- C17 H24 Ag F3 N10 O7 S -","- C68 H96 Ag4 F12 N40 O28 S4 -","4","1","","Prajapati, Rajneesh Kumar; Kumar, Jitendra; Verma, Sandeep","Counteranion-directed structural consequences in silver‒adenine N-oxide complexes","CrystEngComm","2013","15","45","9316","","10.1039/c3ce41164h","","","0.71069","MoKα","","0.0949","0.0588","","","0.135","0.1551","","","","","","1.039","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211052","12.7023","0.0017","9.2602","0.0012","13.3792","0.0017","90","","117.315","0.002","90","","1398.3","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H22 Ag2 Cl2 N10 O13 -","- C16 H22 Ag2 Cl2 N10 O13 -","- C32 H44 Ag4 Cl4 N20 O26 -","2","1","","Prajapati, Rajneesh Kumar; Kumar, Jitendra; Verma, Sandeep","Counteranion-directed structural consequences in silver‒adenine N-oxide complexes","CrystEngComm","2013","15","45","9316","","10.1039/c3ce41164h","","","0.71073","MoKα","","0.0416","0.0399","","","0.1036","0.1056","","","","","","1.066","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211053","9.303","0.0003","5.169","0.0002","24.7981","0.0008","90","","98.872","0.002","90","","1178.2","0.07","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 N2 O8 Pb2 -","- C24 H18 N2 O8 Pb2 -","- C48 H36 N4 O16 Pb4 -","2","0.5","","Akhbari, Kamran; Morsali, Ali","Solid- and solution-state structural transformations in flexible lead(ii) supramolecular polymers","CrystEngComm","2013","15","44","8915","","10.1039/c3ce41171k","","","0.71073","MoKα","","0.0523","0.047","","","0.0899","0.0916","","","","","","1.323","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211054","16.581","0.006","7.331","0.003","14.377","0.006","90","","109.247","0.006","90","","1649.9","1.1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 N2 O4 Pb -","- C20 H12 N2 O4 Pb -","- C80 H48 N8 O16 Pb4 -","4","1","","Akhbari, Kamran; Morsali, Ali","Solid- and solution-state structural transformations in flexible lead(ii) supramolecular polymers","CrystEngComm","2013","15","44","8915","","10.1039/c3ce41171k","","","0.71073","MoKα","","0.0356","0.0316","","","0.1095","0.1187","","","","","","1.082","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211055","13.9323","0.0011","9.9261","0.0008","17.7413","0.0013","90","","112.95","0.002","90","","2259.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 Cu F6 N3 O5 -","- C19 H17 Cu F6 N3 O5 -","- C76 H68 Cu4 F24 N12 O20 -","4","1","","Chanthapally, Anjana; Oh, Wei Ting; Vittal, Jagadese J.","[2 + 2] Cycloaddition reaction as a tool to monitor the formation of thermodynamically stable ladder coordination polymers","CrystEngComm","2013","15","45","9324","","10.1039/c3ce41176a","","","0.71073","MoKα","","0.0773","0.064","","","0.1519","0.1615","","","","","","1.045","","","","has coordinates,has disorder","180441","2020-10-21","18:00:00",""
"7211056","8.017","0.0006","10.1567","0.0003","11.0657","0.0011","78.156","0.011","89.947","0.015","77.156","0.013","858.85","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- Ag I3 Mn O9 -","- Ag I3 Mn O9 -","- Ag4 I12 Mn4 O36 -","4","2","","Xu, Xiang; Hu, Chun-Li; Yang, Bing-Ping; Mao, Jiang-Gao","Syntheses, crystal structures and magnetic properties of three new silver manganese(ii) or manganese(iii) mixed metal iodates","CrystEngComm","2013","15","38","7776","","10.1039/c3ce41185k","","","0.71073","MoKα","","0.04","0.0344","","","0.0749","0.0765","","","","","","1.117","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211057","7.1101","0.0003","7.6749","0.0003","10.2429","0.0004","90.078","0.003","103.552","0.003","99.571","0.003","535.35","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- Ag I4 Mn O12 -","- Ag I4 Mn O12 -","- Ag2 I8 Mn2 O24 -","2","1","","Xu, Xiang; Hu, Chun-Li; Yang, Bing-Ping; Mao, Jiang-Gao","Syntheses, crystal structures and magnetic properties of three new silver manganese(ii) or manganese(iii) mixed metal iodates","CrystEngComm","2013","15","38","7776","","10.1039/c3ce41185k","","","0.71073","MoKα","","0.0185","0.0159","","","0.0326","0.0333","","","","","","1.058","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211058","6.6378","0.0003","6.8724","0.0003","10.0243","0.0005","73.544","0.004","72.194","0.004","81.327","0.004","416.51","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- Ag3 I6 Mn O18 -","- Ag3 I6 Mn O18 -","- Ag3 I6 Mn O18 -","1","0.5","","Xu, Xiang; Hu, Chun-Li; Yang, Bing-Ping; Mao, Jiang-Gao","Syntheses, crystal structures and magnetic properties of three new silver manganese(ii) or manganese(iii) mixed metal iodates","CrystEngComm","2013","15","38","7776","","10.1039/c3ce41185k","","","0.71073","MoKα","","0.0248","0.0196","","","0.0395","0.0425","","","","","","1.046","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211059","14.7676","0.0018","19.224","0.0014","19.7451","0.0016","65.774","0.002","87.413","0.003","67.535","0.002","4682.3","0.8","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C75 H83 Cd3 N3 O25 -","- C66 H54 Cd3 O22 -","- C132 H108 Cd6 O44 -","2","1","","Zhou, Lian; Zhang, Jun; Li, Yi-Zhi; Du, Hong-Bin","Synthesis and properties of four coordination polymers built from a semi-rigid tripod carboxylic acid","CrystEngComm","2013","15","44","8989","","10.1039/c3ce41186a","","","0.71073","MoKα","","0.0624","0.0528","","","0.1665","0.1671","","","","","","1.06","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211060","16.1796","0.0015","19.1505","0.0017","19.5848","0.0012","112.451","0.002","93.548","0.003","104.215","0.002","5353.9","0.8","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C81 H96 Mn3 N5 O26.5 -","- C72 H68 Mn3 N2 O22 -","- C144 H136 Mn6 N4 O44 -","2","1","","Zhou, Lian; Zhang, Jun; Li, Yi-Zhi; Du, Hong-Bin","Synthesis and properties of four coordination polymers built from a semi-rigid tripod carboxylic acid","CrystEngComm","2013","15","44","8989","","10.1039/c3ce41186a","","","0.71073","MoKα","","0.0667","0.0567","","","0.1545","0.156","","","","","","1.096","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211061","15.26","0.002","17.273","0.003","20.297","0.003","99.832","0.002","104.423","0.003","115.202","0.002","4448.1","1.2","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C155 H167 Co7 N7 O51 -","- C152 H152 Co7 N6 O46 -","- C152 H152 Co7 N6 O46 -","1","0.5","","Zhou, Lian; Zhang, Jun; Li, Yi-Zhi; Du, Hong-Bin","Synthesis and properties of four coordination polymers built from a semi-rigid tripod carboxylic acid","CrystEngComm","2013","15","44","8989","","10.1039/c3ce41186a","","","0.71073","MoKα","","0.0682","0.0589","","","0.1568","0.1594","","","","","","1.039","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211062","14.692","0.002","18.436","0.003","19.8419","0.0016","115.514","0.002","96.834","0.003","108.036","0.002","4408","1","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H94 N4 O28 Zn3 -","- C72 H68 N2 O23 Zn3 -","- C144 H136 N4 O46 Zn6 -","2","1","","Zhou, Lian; Zhang, Jun; Li, Yi-Zhi; Du, Hong-Bin","Synthesis and properties of four coordination polymers built from a semi-rigid tripod carboxylic acid","CrystEngComm","2013","15","44","8989","","10.1039/c3ce41186a","","","0.71073","MoKα","","0.0584","0.0546","","","0.1376","0.1383","","","","","","1.075","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211063","13.2907","0.001","5.1776","0.0004","25.343","0.002","90","","110.038","0.006","90","","1638.4","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","phenazopyridine","","","- C18 H17 N5 O3 -","- C18 H17 N5 O3 -","- C72 H68 N20 O12 -","4","1","","Tao, Qian; Chen, Jia-Mei; Lu, Tong-Bu","Two polymorphs and one hydrate of a molecular salt involving phenazopyridine and salicylic acid","CrystEngComm","2013","15","39","7852","","10.1039/c3ce41188e","","","1.54178","CuKα","","0.0716","0.0482","","","0.1192","0.14","","","","","","1.017","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211064","4.7841","0.0002","9.317","0.0003","18.9162","0.0003","90","","92.498","0.002","90","","842.36","0.05","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","phenazopyridine","","","- C18 H17 N5 O3 -","- C18 H17 N5 O3 -","- C36 H34 N10 O6 -","2","1","","Tao, Qian; Chen, Jia-Mei; Lu, Tong-Bu","Two polymorphs and one hydrate of a molecular salt involving phenazopyridine and salicylic acid","CrystEngComm","2013","15","39","7852","","10.1039/c3ce41188e","","","1.54178","CuKα","","0.0652","0.0537","","","0.1438","0.1656","","","","","","1.062","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211065","26.8924","0.0007","5.1332","0.0001","13.0371","0.0004","90","","100.854","0.003","90","","1767.5","0.08","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","phenazopyridine","","","- C18 H19 N5 O4 -","- C18 H19 N5 O4 -","- C72 H76 N20 O16 -","4","1","","Tao, Qian; Chen, Jia-Mei; Lu, Tong-Bu","Two polymorphs and one hydrate of a molecular salt involving phenazopyridine and salicylic acid","CrystEngComm","2013","15","39","7852","","10.1039/c3ce41188e","","","1.54178","CuKα","","0.0474","0.0379","","","0.0907","0.1062","","","","","","1.061","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7211066","14.327","0.002","17.039","0.003","6.49","0.0011","90","","90","","90","","1584.3","0.4","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H20 N O4 P -","- C15 H20 N O4 P -","- C60 H80 N4 O16 P4 -","4","1","","Safin, Damir A.; Babashkina, Maria G.; Robeyns, Koen; Mitoraj, Mariusz P.; Kubisiak, Piotr; Brela, Mateusz; Garcia, Yann","Experimental and theoretical investigations of the NiII complex with N-phosphorylated thiourea iPrNHC(S)NHP(O)(OPh)2","CrystEngComm","2013","15","39","7845","","10.1039/c3ce41195h","","","0.71073","MoKα","","0.0858","0.0797","","","0.1674","0.1706","","","","","","1.056","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211067","9.8501","0.0012","11.0661","0.0018","17.707","0.002","92.032","0.011","92.94","0.01","111.728","0.013","1787.5","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H19 N2 O3 P S -","- C16 H19 N2 O3 P S -","- C64 H76 N8 O12 P4 S4 -","4","2","","Safin, Damir A.; Babashkina, Maria G.; Robeyns, Koen; Mitoraj, Mariusz P.; Kubisiak, Piotr; Brela, Mateusz; Garcia, Yann","Experimental and theoretical investigations of the NiII complex with N-phosphorylated thiourea iPrNHC(S)NHP(O)(OPh)2","CrystEngComm","2013","15","39","7845","","10.1039/c3ce41195h","","","0.71073","MoKα","","0.0855","0.0613","","","0.1539","0.1693","","","","","","1.014","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211068","12.06","0.002","10.7171","0.001","13.9639","0.0013","90","","90.435","0.011","90","","1804.8","0.4","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H36 N4 Ni O6 P2 S2 -","- C32 H36 N4 Ni O6 P2 S2 -","- C64 H72 N8 Ni2 O12 P4 S4 -","2","0.5","","Safin, Damir A.; Babashkina, Maria G.; Robeyns, Koen; Mitoraj, Mariusz P.; Kubisiak, Piotr; Brela, Mateusz; Garcia, Yann","Experimental and theoretical investigations of the NiII complex with N-phosphorylated thiourea iPrNHC(S)NHP(O)(OPh)2","CrystEngComm","2013","15","39","7845","","10.1039/c3ce41195h","","","0.71073","MoKα","","0.0507","0.0397","","","0.0976","0.1049","","","","","","1.017","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211069","8.306","0.0017","9.0369","0.0018","14.377","0.003","90","","90","","90","","1079.1","0.4","293","2","293","2","","","","","","","","3","F m m m","-F 2 2","69","","","","- Au Eu2 Si3 -","- Au0.996 Eu2 Si3.004 -","- Au7.968 Eu16 Si24.032 -","8","0.25","","Sarkar, Sumanta; Gutmann, Matthias J.; Peter, Sebastian C.","Crystal structure and physical properties of indium flux grown RE2AuSi3 (RE = Eu, Yb)","CrystEngComm","2013","15","39","8006","","10.1039/c3ce41198b","","","0.71073","MoKα","","0.0346","0.032","","","0.0709","0.074","","","","","","1.008","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211070","8.2003","0.0016","14.187","0.003","16.869","0.003","90","","90","","90","","1962.5","0.7","293","2","293","2","","","","","","","","3","F d d d :2","-F 2uv 2vw","70","","","","- Au0.98 Si3.02 Yb2 -","- Au0.982 Si3.018 Yb2 -","- Au15.712 Si48.288 Yb32 -","16","0.5","","Sarkar, Sumanta; Gutmann, Matthias J.; Peter, Sebastian C.","Crystal structure and physical properties of indium flux grown RE2AuSi3 (RE = Eu, Yb)","CrystEngComm","2013","15","39","8006","","10.1039/c3ce41198b","","","0.71073","MoKα","","0.0793","0.0433","","","0.088","0.1017","","","","","","1.034","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211071","14.791","0.003","17.227","0.003","25.476","0.005","90","","101.96","0.03","90","","6350","2","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H82 Cl4 Cu N8 O28 -","- C48 H82 Cl4 Cu N8 O28 -","- C192 H328 Cl16 Cu4 N32 O112 -","4","0.5","","Gee, William J.; Moubaraki, Boujemaa; Murray, Keith S.; Batten, Stuart R.","Coordination polymers of a dipyridylazacrown ligand: structural, thermal and spectroscopic properties","CrystEngComm","2013","15","45","9655","","10.1039/c3ce41202d","","","0.71073","synchrotron","","0.0987","0.0817","","","0.21","0.2239","","","","","","1.034","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211072","14.231","0.003","16.882","0.003","26.121","0.005","90","","98.73","0.03","90","","6203","2","123","2","123","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C50 H78 Cl2 Fe N10 O18 S2 -","- C50 H78 Cl2 Fe N10 O18 S2 -","- C200 H312 Cl8 Fe4 N40 O72 S8 -","4","0.5","","Gee, William J.; Moubaraki, Boujemaa; Murray, Keith S.; Batten, Stuart R.","Coordination polymers of a dipyridylazacrown ligand: structural, thermal and spectroscopic properties","CrystEngComm","2013","15","45","9655","","10.1039/c3ce41202d","","","0.710698","synchrotron","","0.1","0.0825","","","0.2426","0.2592","","","","","","1.036","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211073","14.138","0.003","16.749","0.003","26.051","0.005","90","","99.11","0.03","90","","6091","2","123","2","123","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C50 H78 Cl2 N10 Ni O18 S2 -","- C50 H78 Cl2 N10 Ni O18 S2 -","- C200 H312 Cl8 N40 Ni4 O72 S8 -","4","0.5","","Gee, William J.; Moubaraki, Boujemaa; Murray, Keith S.; Batten, Stuart R.","Coordination polymers of a dipyridylazacrown ligand: structural, thermal and spectroscopic properties","CrystEngComm","2013","15","45","9655","","10.1039/c3ce41202d","","","0.71073","synchrotron","","0.1017","0.0695","","","0.1849","0.212","","","","","","1.053","","","","has coordinates,has disorder","180441","2020-10-21","18:00:00",""
"7211074","17.576","0.004","14.207","0.003","25.869","0.005","90","","95.43","0.03","90","","6431","2","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H84 Cl4 N8 Ni O30 -","- C48 H84 Cl4 N8 Ni O30 -","- C192 H336 Cl16 N32 Ni4 O120 -","4","1","","Gee, William J.; Moubaraki, Boujemaa; Murray, Keith S.; Batten, Stuart R.","Coordination polymers of a dipyridylazacrown ligand: structural, thermal and spectroscopic properties","CrystEngComm","2013","15","45","9655","","10.1039/c3ce41202d","","","0.71073","synchrotron","","0.1746","0.097","","","0.2335","0.2742","","","","","","1.015","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211075","17.7217","0.0005","14.2395","0.0005","25.8471","0.0007","90","","95.929","0.001","90","","6487.6","0.3","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H82 Cl4 N8 O30 Zn -","- C48 H84 Cl4 N8 O30 Zn -","- C192 H336 Cl16 N32 O120 Zn4 -","4","1","","Gee, William J.; Moubaraki, Boujemaa; Murray, Keith S.; Batten, Stuart R.","Coordination polymers of a dipyridylazacrown ligand: structural, thermal and spectroscopic properties","CrystEngComm","2013","15","45","9655","","10.1039/c3ce41202d","","","0.71073","MoKα","","0.1005","0.0851","","","0.1467","0.1534","","","","","","1.195","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211076","9.5947","0.0003","10.3589","0.0003","14.8323","0.0004","86.675","0.001","88.007","0.001","85.2","0.001","1465.88","0.07","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H36 N6 O4 S2 Zn -","- C26 H36 N6 O4 S2 Zn -","- C52 H72 N12 O8 S4 Zn2 -","2","1","","Gee, William J.; Moubaraki, Boujemaa; Murray, Keith S.; Batten, Stuart R.","Coordination polymers of a dipyridylazacrown ligand: structural, thermal and spectroscopic properties","CrystEngComm","2013","15","45","9655","","10.1039/c3ce41202d","","","0.71073","MoKα","","0.0328","0.0311","","","0.0862","0.0938","","","","","","1.121","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211077","12.6015","0.0003","23.5649","0.0004","23.6458","0.0005","90","","90","","90","","7021.7","0.3","123.01","0.15","123.01","0.15","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C58 H94 Cl2 Fe N10 O20 S2 -","- C58 H94 Cl2 Fe N10 O20 S2 -","- C232 H376 Cl8 Fe4 N40 O80 S8 -","4","0.5","","Gee, William J.; Moubaraki, Boujemaa; Murray, Keith S.; Batten, Stuart R.","Coordination polymers of a dipyridylazacrown ligand: structural, thermal and spectroscopic properties","CrystEngComm","2013","15","45","9655","","10.1039/c3ce41202d","","","1.5418","CuKα","","0.0735","0.0503","","","0.1315","0.1434","","","","","","1.063","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211078","16.366","0.002","16.366","0.002","10.158","0.002","90","","90","","90","","2720.8","0.7","123","2","123","2","","","","","","","","6","P 4","P 4","75","","","","- C50 H72 Cu N10 O8 S2 -","- C50 H72 Cu N10 O8 S2 -","- C100 H144 Cu2 N20 O16 S4 -","2","0.5","","Gee, William J.; Moubaraki, Boujemaa; Murray, Keith S.; Batten, Stuart R.","Coordination polymers of a dipyridylazacrown ligand: structural, thermal and spectroscopic properties","CrystEngComm","2013","15","45","9655","","10.1039/c3ce41202d","","","0.710698","synchrotron","","0.2808","0.205","","","0.4817","0.5275","","","","","","1.55","","","","has coordinates,has disorder","180441","2020-10-21","18:00:00",""
"7211079","9.344","0.002","18.507","0.006","14.312","0.003","90","","94.404","0.02","90","","2467.7","1.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H17 Dy O10 -","- C28 H17 Dy O10 -","- C112 H68 Dy4 O40 -","4","1","","Gao, Yanfei; Cao, Jianwei; Song, Ye; Zhang, Guonan; Wang, Yanqin; Liu, Zhiliang","Structure control and crystal-to-crystal transformation for two series of lanthanide‒organic coordination polymers","CrystEngComm","2013","15","42","8522","","10.1039/c3ce41207e","","","0.71073","MoKα","","0.1954","0.0905","","","0.1753","0.2502","","","","","","0.93","","","","has coordinates,has disorder","180441","2020-10-21","18:00:00",""
"7211080","9.3363","0.0004","18.4457","0.001","14.3315","0.0007","90","","94.174","0.005","90","","2461.5","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H17 O10 Tb -","- C28 H17 O10 Tb -","- C112 H68 O40 Tb4 -","4","1","","Gao, Yanfei; Cao, Jianwei; Song, Ye; Zhang, Guonan; Wang, Yanqin; Liu, Zhiliang","Structure control and crystal-to-crystal transformation for two series of lanthanide‒organic coordination polymers","CrystEngComm","2013","15","42","8522","","10.1039/c3ce41207e","","","0.71073","MoKα","","0.1017","0.0654","","","0.1468","0.1772","","","","","","1.036","","","","has coordinates,has disorder","180441","2020-10-21","18:00:00",""
"7211081","9.3657","0.0005","18.4465","0.001","14.386","0.0011","90","","94.004","0.006","90","","2479.3","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H17 Gd O10 -","- C28 H17 Gd O10 -","- C112 H68 Gd4 O40 -","4","1","","Gao, Yanfei; Cao, Jianwei; Song, Ye; Zhang, Guonan; Wang, Yanqin; Liu, Zhiliang","Structure control and crystal-to-crystal transformation for two series of lanthanide‒organic coordination polymers","CrystEngComm","2013","15","42","8522","","10.1039/c3ce41207e","","","0.71073","MoKα","","0.1365","0.0706","","","0.1243","0.1583","","","","","","1.014","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211082","9.3135","0.0004","18.5484","0.0011","14.2816","0.0007","90","","94.483","0.004","90","","2459.6","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H17 Ho O10 -","- C28 H17 Ho O10 -","- C112 H68 Ho4 O40 -","4","1","","Gao, Yanfei; Cao, Jianwei; Song, Ye; Zhang, Guonan; Wang, Yanqin; Liu, Zhiliang","Structure control and crystal-to-crystal transformation for two series of lanthanide‒organic coordination polymers","CrystEngComm","2013","15","42","8522","","10.1039/c3ce41207e","","","0.71073","MoKα","","0.0924","0.0487","","","0.0696","0.0859","","","","","","1","","","","has coordinates,has disorder","180441","2020-10-21","18:00:00",""
"7211083","9.2869","0.0003","18.5404","0.0009","14.2415","0.0006","90","","94.635","0.003","90","","2444.12","0.18","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H17 Er O10 -","- C28 H17 Er O10 -","- C112 H68 Er4 O40 -","4","1","","Gao, Yanfei; Cao, Jianwei; Song, Ye; Zhang, Guonan; Wang, Yanqin; Liu, Zhiliang","Structure control and crystal-to-crystal transformation for two series of lanthanide‒organic coordination polymers","CrystEngComm","2013","15","42","8522","","10.1039/c3ce41207e","","","0.71073","MoKα","","0.0701","0.0427","","","0.0572","0.0668","","","","","","1.003","","","","has coordinates,has disorder","180441","2020-10-21","18:00:00",""
"7211084","9.3601","0.0007","18.417","0.0015","14.3938","0.001","90","","93.847","0.007","90","","2475.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H17 Eu O10 -","- C28 H17 Eu O10 -","- C112 H68 Eu4 O40 -","4","1","","Gao, Yanfei; Cao, Jianwei; Song, Ye; Zhang, Guonan; Wang, Yanqin; Liu, Zhiliang","Structure control and crystal-to-crystal transformation for two series of lanthanide‒organic coordination polymers","CrystEngComm","2013","15","42","8522","","10.1039/c3ce41207e","","","0.71073","MoKα","","0.0665","0.0396","","","0.0683","0.0789","","","","","","1.023","","","","has coordinates,has disorder","180441","2020-10-21","18:00:00",""
"7211085","9.7896","0.0008","11.5519","0.0008","12.6529","0.0019","74.677","0.009","72.626","0.01","72.086","0.007","1275.8","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H42 Dy2 O24 -","- C56 H42 Dy2 O24 -","- C56 H42 Dy2 O24 -","1","0.5","","Gao, Yanfei; Cao, Jianwei; Song, Ye; Zhang, Guonan; Wang, Yanqin; Liu, Zhiliang","Structure control and crystal-to-crystal transformation for two series of lanthanide‒organic coordination polymers","CrystEngComm","2013","15","42","8522","","10.1039/c3ce41207e","","","0.71073","MoKα","","0.0809","0.0554","","","0.0777","0.0898","","","","","","1.04","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211086","9.8077","0.0019","11.548","0.002","12.6506","0.0016","74.508","0.013","72.369","0.014","71.967","0.017","1274.4","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H21 O12 Tb -","- C28 H21 O12 Tb -","- C56 H42 O24 Tb2 -","2","1","","Gao, Yanfei; Cao, Jianwei; Song, Ye; Zhang, Guonan; Wang, Yanqin; Liu, Zhiliang","Structure control and crystal-to-crystal transformation for two series of lanthanide‒organic coordination polymers","CrystEngComm","2013","15","42","8522","","10.1039/c3ce41207e","","","0.71073","MoKα","","0.071","0.0504","","","0.0898","0.102","","","","","","1.076","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211087","9.7629","0.0011","11.5128","0.0007","12.6274","0.001","74.605","0.006","72.647","0.009","72.2","0.008","1265.9","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H21 Gd O12 -","- C28 H21 Gd O12 -","- C56 H42 Gd2 O24 -","2","1","","Gao, Yanfei; Cao, Jianwei; Song, Ye; Zhang, Guonan; Wang, Yanqin; Liu, Zhiliang","Structure control and crystal-to-crystal transformation for two series of lanthanide‒organic coordination polymers","CrystEngComm","2013","15","42","8522","","10.1039/c3ce41207e","","","0.71073","MoKα","","0.0693","0.049","","","0.0733","0.0817","","","","","","1.028","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211088","9.7886","0.0007","11.5573","0.0008","12.5972","0.0012","74.649","0.007","72.626","0.007","71.873","0.006","1269.19","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H21 Ho O12 -","- C28 H21 Ho O12 -","- C56 H42 Ho2 O24 -","2","1","","Gao, Yanfei; Cao, Jianwei; Song, Ye; Zhang, Guonan; Wang, Yanqin; Liu, Zhiliang","Structure control and crystal-to-crystal transformation for two series of lanthanide‒organic coordination polymers","CrystEngComm","2013","15","42","8522","","10.1039/c3ce41207e","","","0.71073","MoKα","","0.0443","0.036","","","0.0628","0.0693","","","","","","1.077","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211089","9.8061","0.0009","11.5898","0.0008","12.6074","0.001","74.575","0.006","72.548","0.008","71.682","0.007","1274.08","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H42 Er2 O24 -","- C56 H42 Er2 O24 -","- C56 H42 Er2 O24 -","1","0.5","","Gao, Yanfei; Cao, Jianwei; Song, Ye; Zhang, Guonan; Wang, Yanqin; Liu, Zhiliang","Structure control and crystal-to-crystal transformation for two series of lanthanide‒organic coordination polymers","CrystEngComm","2013","15","42","8522","","10.1039/c3ce41207e","","","0.71073","MoKα","","0.077","0.0547","","","0.0878","0.1","","","","","","1.048","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211090","12.201","0.006","23.969","0.012","18.375","0.006","90","","123.08","0.02","90","","4503","4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C90 H86 Co4 N6 O18 P4 -","- C90 H86 Co4 N6 O18 P4 -","- C180 H172 Co8 N12 O36 P8 -","2","0.5","","Ma, Yun-Sheng; Cai, Wang-Shui; Chen, Bin; Chang, Jian-Yu; Tang, Xiao-Yan; Yuan, Rong-Xin","Four coordination clusters using fluorenyl and carbazyl phosphonates as ligands","CrystEngComm","2013","15","37","7615","","10.1039/c3ce41212a","","","0.71073","MoKα","","0.0748","0.0505","","","0.1098","0.1224","","","","","","1.016","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211091","16.7089","0.0013","33.4493","0.0017","18.7258","0.0011","90","","97.315","0.003","90","","10380.7","1.1","291","2","291","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C96 H83 Mn5 N8 O22 P2 -","- C96 H83 Mn5 N8 O22 P2 -","- C384 H332 Mn20 N32 O88 P8 -","4","1","","Ma, Yun-Sheng; Cai, Wang-Shui; Chen, Bin; Chang, Jian-Yu; Tang, Xiao-Yan; Yuan, Rong-Xin","Four coordination clusters using fluorenyl and carbazyl phosphonates as ligands","CrystEngComm","2013","15","37","7615","","10.1039/c3ce41212a","","","0.71073","MoKα","","0.0862","0.0614","","","0.1429","0.1502","","","","","","0.994","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211092","32.705","0.003","23.209","0.002","29.898","0.003","90","","100.549","0.001","90","","22311","4","291","2","291","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C105 H93 Mn5 N12 O24 P2 -","- C105 H93 Mn5 N12 O24 P2 -","- C840 H744 Mn40 N96 O192 P16 -","8","1","","Ma, Yun-Sheng; Cai, Wang-Shui; Chen, Bin; Chang, Jian-Yu; Tang, Xiao-Yan; Yuan, Rong-Xin","Four coordination clusters using fluorenyl and carbazyl phosphonates as ligands","CrystEngComm","2013","15","37","7615","","10.1039/c3ce41212a","","","0.71073","MoKα","","0.0969","0.0633","","","0.1387","0.1465","","","","","","1.001","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211093","21.3091","0.0013","27.1193","0.0014","32.2464","0.0012","90","","90","","90","","18634.8","1.6","291","2","291","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C167 H151 Mn10 N15 O44 P8 -","- C167 H151 Mn10 N15 O44 P8 -","- C668 H604 Mn40 N60 O176 P32 -","4","0.5","","Ma, Yun-Sheng; Cai, Wang-Shui; Chen, Bin; Chang, Jian-Yu; Tang, Xiao-Yan; Yuan, Rong-Xin","Four coordination clusters using fluorenyl and carbazyl phosphonates as ligands","CrystEngComm","2013","15","37","7615","","10.1039/c3ce41212a","","","0.71073","MoKα","","0.0519","0.051","","","0.1238","0.1241","","","","","","1.087","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211094","23.908","0.004","10.0503","0.0018","17.068","0.003","90","","90","","90","","4101.1","1.2","273","2","273","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C32 H38 N10 O18 Zn3 -","- C32 H38 N10 O18 Zn3 -","- C128 H152 N40 O72 Zn12 -","4","0.5","","Zhang, Xiaoxi; Xing, Na; Bai, Fengying; Wan, Lijuan; Shan, Hui; Hou, Yanan; Xing, Yongheng; Shi, Zhan","Multi-functional d10 metal‒organic materials based on bis-pyrazole/pyridine ligands supported by a 2,6-di(3-pyrazolyl)pyridine with different spanning flexible dicarboxylate ligands: synthesis, structure, photoluminescent and catalytic properties","CrystEngComm","2013","15","44","9135","","10.1039/c3ce41213j","","","0.71073","MoKα","","0.0807","0.0476","","","0.1163","0.1335","","","","","","1.053","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211095","9.718","0.002","9.962","0.003","13.971","0.003","90","","128.918","0.011","90","","1052.3","0.5","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C19 H25 N5 O6 Zn -","- C19 H25 N5 O6 Zn -","- C38 H50 N10 O12 Zn2 -","2","0.5","","Zhang, Xiaoxi; Xing, Na; Bai, Fengying; Wan, Lijuan; Shan, Hui; Hou, Yanan; Xing, Yongheng; Shi, Zhan","Multi-functional d10 metal‒organic materials based on bis-pyrazole/pyridine ligands supported by a 2,6-di(3-pyrazolyl)pyridine with different spanning flexible dicarboxylate ligands: synthesis, structure, photoluminescent and catalytic properties","CrystEngComm","2013","15","44","9135","","10.1039/c3ce41213j","","","0.71073","MoKα","","0.0557","0.0439","","","0.1048","0.1122","","","","","","1.042","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211096","11.044","0.002","11.997","0.002","17.106","0.003","87.79","0.03","74.9","0.03","79.42","0.03","2150.9","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H37 N10 O5 Zn2 -","- C49 H37 N10 O5 Zn2 -","- C98 H74 N20 O10 Zn4 -","2","1","","Zhang, Xiaoxi; Xing, Na; Bai, Fengying; Wan, Lijuan; Shan, Hui; Hou, Yanan; Xing, Yongheng; Shi, Zhan","Multi-functional d10 metal‒organic materials based on bis-pyrazole/pyridine ligands supported by a 2,6-di(3-pyrazolyl)pyridine with different spanning flexible dicarboxylate ligands: synthesis, structure, photoluminescent and catalytic properties","CrystEngComm","2013","15","44","9135","","10.1039/c3ce41213j","","","0.71073","MoKα","","0.0817","0.0475","","","0.1224","0.1459","","","","","","1.017","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211097","10.9728","0.0019","12.61","0.002","16.807","0.003","77.404","0.002","79.051","0.002","89.147","0.002","2227.4","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H42 N10 O6 Zn2 -","- C51 H36 N10 O6 Zn2 -","- C102 H72 N20 O12 Zn4 -","2","1","","Zhang, Xiaoxi; Xing, Na; Bai, Fengying; Wan, Lijuan; Shan, Hui; Hou, Yanan; Xing, Yongheng; Shi, Zhan","Multi-functional d10 metal‒organic materials based on bis-pyrazole/pyridine ligands supported by a 2,6-di(3-pyrazolyl)pyridine with different spanning flexible dicarboxylate ligands: synthesis, structure, photoluminescent and catalytic properties","CrystEngComm","2013","15","44","9135","","10.1039/c3ce41213j","","","0.71073","MoKα","","0.0574","0.0396","","","0.105","0.1125","","","","","","1.078","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211098","11.358","0.004","15.04","0.006","15.209","0.006","72.965","0.005","84.833","0.006","81.685","0.005","2454.8","1.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H38 N10 O3.5 Zn2 -","- C49 H38 N10 O3.5 Zn2 -","- C98 H76 N20 O7 Zn4 -","2","1","","Zhang, Xiaoxi; Xing, Na; Bai, Fengying; Wan, Lijuan; Shan, Hui; Hou, Yanan; Xing, Yongheng; Shi, Zhan","Multi-functional d10 metal‒organic materials based on bis-pyrazole/pyridine ligands supported by a 2,6-di(3-pyrazolyl)pyridine with different spanning flexible dicarboxylate ligands: synthesis, structure, photoluminescent and catalytic properties","CrystEngComm","2013","15","44","9135","","10.1039/c3ce41213j","","","0.71073","MoKα","","0.1154","0.081","","","0.2475","0.2774","","","","","","1.06","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211099","12.411","0.003","14.631","0.003","16.969","0.003","66.11","0.03","78.09","0.03","72.06","0.03","2668.5","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H56 N10 O8 Zn2 -","- C56 H56 N10 O8 Zn2 -","- C112 H112 N20 O16 Zn4 -","2","1","","Zhang, Xiaoxi; Xing, Na; Bai, Fengying; Wan, Lijuan; Shan, Hui; Hou, Yanan; Xing, Yongheng; Shi, Zhan","Multi-functional d10 metal‒organic materials based on bis-pyrazole/pyridine ligands supported by a 2,6-di(3-pyrazolyl)pyridine with different spanning flexible dicarboxylate ligands: synthesis, structure, photoluminescent and catalytic properties","CrystEngComm","2013","15","44","9135","","10.1039/c3ce41213j","","","0.71073","MoKα","","0.0813","0.0489","","","0.1269","0.1458","","","","","","1.011","","","","has coordinates,has disorder","180441","2020-10-21","18:00:00",""
"7211100","6.897","0.003","45.92","0.02","8.08","0.004","90","","94.826","0.007","90","","2550","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 N2 O -","- C34 H26 N2 O -","- C136 H104 N8 O4 -","4","1","","Zhang, Yujian; Sun, Jingwei; Lv, Xiaojing; Ouyang, Mi; Cao, Feng; Pan, Guoxiang; Pan, Luping; Fan, Guangbo; Yu, Weiwei; He, Chao; Zheng, Sishi; Zhang, Feng; Wang, Wei; Zhang, Cheng","Heating and mechanical force-induced “turn on” fluorescence of cyanostilbene derivative with H-type stacking","CrystEngComm","2013","15","44","8998","","10.1039/c3ce41221k","","","0.71073","MoKα","","0.1298","0.0865","","","0.2139","0.231","","","","","","1.065","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211101","7.9698","0.0017","9.389","0.002","15.464","0.003","90","","92.31","0.005","90","","1156.2","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 N2 O -","- C14 H8 N2 O -","- C56 H32 N8 O4 -","4","1","","Anthony, Savarimuthu Philip; Wang, Longsheng; Varughese, Sunil; Draper, Sylvia M.","A structurally versatile coordination polymer: demonstrating spontaneous resolution, conformational polymorphism and gel formation","CrystEngComm","2013","15","33","6602","","10.1039/c3ce41224e","","","0.71073","MoKα","","0.0805","0.0548","","","0.1305","0.1436","","","","","","1.08","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211102","5.1665","0.001","18.453","0.004","18.155","0.003","90","","90","","90","","1730.9","0.6","273","2","273","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C15 H8 Ag F3 N2 O4 S -","- C15 H8 Ag F3 N2 O4 S -","- C60 H32 Ag4 F12 N8 O16 S4 -","4","0.5","","Anthony, Savarimuthu Philip; Wang, Longsheng; Varughese, Sunil; Draper, Sylvia M.","A structurally versatile coordination polymer: demonstrating spontaneous resolution, conformational polymorphism and gel formation","CrystEngComm","2013","15","33","6602","","10.1039/c3ce41224e","","","0.71073","MoKα","","0.0767","0.0667","","","0.1843","0.1935","","","","","","1.034","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211103","11.093","0.004","12.53","0.004","12.33","0.004","90","","93.515","0.006","90","","1710.6","1","273","2","273","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C15 H8 Ag F3 N2 O4 S -","- C15 H8 Ag F3 N2 O4 S -","- C60 H32 Ag4 F12 N8 O16 S4 -","4","1","","Anthony, Savarimuthu Philip; Wang, Longsheng; Varughese, Sunil; Draper, Sylvia M.","A structurally versatile coordination polymer: demonstrating spontaneous resolution, conformational polymorphism and gel formation","CrystEngComm","2013","15","33","6602","","10.1039/c3ce41224e","","","0.71073","MoKα","","0.0307","0.0272","","","0.0698","0.072","","","","","","1.079","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211104","14.141","0.003","15.663","0.003","16.402","0.003","90","","108.459","0.006","90","","3446","1.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C59 H34 Ag3 F9 N8 O14 S3 -","- C59 H34 Ag3 F9 N8 O14 S3 -","- C118 H68 Ag6 F18 N16 O28 S6 -","2","1","","Anthony, Savarimuthu Philip; Wang, Longsheng; Varughese, Sunil; Draper, Sylvia M.","A structurally versatile coordination polymer: demonstrating spontaneous resolution, conformational polymorphism and gel formation","CrystEngComm","2013","15","33","6602","","10.1039/c3ce41224e","","","0.71075","MoKα","","0.0979","0.0828","","","0.2318","0.255","","","","","","1.077","","","","has coordinates,has disorder","180442","2020-10-21","18:00:00",""
"7211105","8.671","0.006","12.162","0.008","13.095","0.008","110.238","0.012","95.823","0.013","93.793","0.013","1281.4","1.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H19 N9 O15 -","- C20 H19 N9 O15 -","- C40 H38 N18 O30 -","2","1","","Manna, Prankrishna; Seth, Saikat Kumar; Mitra, Monojit; Das, Amrita; Singh, N. Jiten; Choudhury, Somnath Ray; Kar, Tanusree; Mukhopadhyay, Subrata","A successive layer-by-layer assembly of supramolecular frameworks driven by a novel type of face-to-face π±-π+ interactions","CrystEngComm","2013","15","39","7879","","10.1039/c3ce41230j","","","0.71073","MoKα","","0.0513","0.0377","","","0.0981","0.11","","","","","","1.029","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211106","25.791","0.002","25.791","0.002","11.1284","0.0013","90","","90","","120","","6410.6","1","213","2","213","2","","","","","","","","6","R -3 :H","-R 3","148","","bis-Thiocyanato-bis(3,3',5,5'-Tetramethyl-4,4'-bipyrazole)cadmium(II), solvate with 0.66 Dichloromethane","","- C22.667 H29.333 Cd Cl1.333 N10 S2 -","- C22.6667 H28 Cd Cl1.3336 N10 S2 -","- C204 H252 Cd9 Cl12.0024 N90 S18 -","9","0.5","","Ponomarova, Vira V.; Komarchuk, Vasiliy V.; Boldog, Ishtvan; Krautscheid, Harald; Domasevitch, Konstantin V.","Modular construction of 3D coordination frameworks incorporating SiF62− links: Accessing the significance of [M(pyrazole)4{SiF6}] synthon","CrystEngComm","2013","15","41","8280","","10.1039/c3ce41238e","","","0.71073","MoKα","","0.0404","0.0353","","","0.0786","0.0807","","","","","","1.136","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7211107","14.4685","0.0012","22.858","0.003","23.048","0.003","90","","90","","90","","7622.5","1.5","213","2","213","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","bis-Thiocyanato-mu-Hexafluorosilicato-tetrakis (3,3',5,5'-Tetramethyl-4,4'-bipyrazole)dicadmium(II), Solvate with 6 Chloroform","","- C48 H62 Cd2 Cl18 F6 N18 S2 Si -","- C48 H62 Cd2 Cl18 F6 N18 S2 Si -","- C192 H248 Cd8 Cl72 F24 N72 S8 Si4 -","4","0.5","","Ponomarova, Vira V.; Komarchuk, Vasiliy V.; Boldog, Ishtvan; Krautscheid, Harald; Domasevitch, Konstantin V.","Modular construction of 3D coordination frameworks incorporating SiF62− links: Accessing the significance of [M(pyrazole)4{SiF6}] synthon","CrystEngComm","2013","15","41","8280","","10.1039/c3ce41238e","","","0.71073","MoKα","","0.0687","0.0577","","","0.1557","0.1624","","","","","","1.046","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7211108","19.522","0.0008","19.522","0.0008","33.791","0.003","90","","90","","90","","12878","1.4","213","2","213","2","","","","","","","","8","P 42/m","-P 4c","84","","bis-Thiocyanato-mu-Hexafluorosilicato-tetrakis (3,3',5,5'-Tetramethyl-4,4'-bipyrazole)dicadmium(II), Solvate with 2 Dichloromethane","","- C44 H60 Cd2 Cl4 F6 N18 S2 Si -","- C44 H60 Cd2 Cl4 F6 N18 S2 Si -","- C352 H480 Cd16 Cl32 F48 N144 S16 Si8 -","8","1","","Ponomarova, Vira V.; Komarchuk, Vasiliy V.; Boldog, Ishtvan; Krautscheid, Harald; Domasevitch, Konstantin V.","Modular construction of 3D coordination frameworks incorporating SiF62− links: Accessing the significance of [M(pyrazole)4{SiF6}] synthon","CrystEngComm","2013","15","41","8280","","10.1039/c3ce41238e","","","0.71073","MoKα","","0.065","0.0559","","","0.1487","0.1544","","","","","","0.994","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7211109","13.6869","0.001","15.5383","0.0009","15.877","0.0012","90","","90.047","0.008","90","","3376.6","0.4","213","2","213","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","mu-Hexafluorosilicato-bis(3,3',5,5'-Tetramethyl-4,4'-bipyrazole) cadmium(II), Hexahydrate","","- C20 H40 Cd F6 N8 O6 Si -","- C20 H28 Cd F6 N8 O6 Si -","- C80 H112 Cd4 F24 N32 O24 Si4 -","4","0.5","","Ponomarova, Vira V.; Komarchuk, Vasiliy V.; Boldog, Ishtvan; Krautscheid, Harald; Domasevitch, Konstantin V.","Modular construction of 3D coordination frameworks incorporating SiF62− links: Accessing the significance of [M(pyrazole)4{SiF6}] synthon","CrystEngComm","2013","15","41","8280","","10.1039/c3ce41238e","","","0.71073","MoKα","","0.0339","0.0312","","","0.0788","0.0795","","","","","","1.019","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7211110","15.893","0.0012","11.8892","0.0011","16.7929","0.0012","90","","91.161","0.003","90","","3172.5","0.4","213","2","213","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","mu-Hexafluorosilicato-bis(3,3',5,5'-Tetramethyl-4,4'-bipyrazole) cadmium(II), Solvate with 1.5 Dichloromethane","","- C21.5 H31 Cd Cl3 F6 N8 Si -","- C21.5 H31 Cd Cl3 F6 N8 Si -","- C86 H124 Cd4 Cl12 F24 N32 Si4 -","4","0.5","","Ponomarova, Vira V.; Komarchuk, Vasiliy V.; Boldog, Ishtvan; Krautscheid, Harald; Domasevitch, Konstantin V.","Modular construction of 3D coordination frameworks incorporating SiF62− links: Accessing the significance of [M(pyrazole)4{SiF6}] synthon","CrystEngComm","2013","15","41","8280","","10.1039/c3ce41238e","","","0.71073","MoKα","","0.0305","0.0291","","","0.0731","0.0738","","","","","","1.098","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7211111","15.219","0.003","75.54","0.015","14.401","0.003","90","","90","","90","","16556","6","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C54 H56 Cu3 N14 O18 -","- C48 H42 Cu3 N12 O16 -","- C384 H336 Cu24 N96 O128 -","8","1","","Bloch, Witold M.; Doonan, Christian J.; Sumby, Christopher J.","Using hinged ligands to target structurally flexible copper(ii) MOFs","CrystEngComm","2013","15","45","9663","","10.1039/c3ce41244j","","","0.7107","Synchrotron","","0.0934","0.0815","","","0.2502","0.2618","","","","","","1.029","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211112","19.4251","0.0009","36.589","0.002","37.762","0.002","90","","114.202","0.004","90","","24480","2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C140 H188 Cu6 N30 O38 -","- C104 H100 Cu6 N16 O20 -","- C416 H400 Cu24 N64 O80 -","4","1","","Bloch, Witold M.; Doonan, Christian J.; Sumby, Christopher J.","Using hinged ligands to target structurally flexible copper(ii) MOFs","CrystEngComm","2013","15","45","9663","","10.1039/c3ce41244j","","","0.7107","Synchrotron","","0.0795","0.0573","","","0.1634","0.1746","","","","","","0.971","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211113","5.36","0.0003","8.5693","0.0007","13.4999","0.0011","98.83","0.004","93.8","0.005","95.524","0.005","607.8","0.08","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","lithium hemibenzoate","","- C14 H11 Li O4 -","- C14 H11 Li O4 -","- C28 H22 Li2 O8 -","2","1","","Rees, Gregory J.; Day, Stephen P.; Lari, Alberth; Howes, Andrew P.; Iuga, Dinu; Pitak, Mateusz B.; Coles, Simon J.; Threlfall, Terry L.; Light, Mark E.; Smith, Mark E.; Quigley, David; Wallis, John D.; Hanna, John V.","A multinuclear solid state NMR, density functional theory and X-Ray diffraction study of hydrogen bonding in Group I hydrogen dibenzoates","CrystEngComm","2013","15","43","8823","","10.1039/c3ce41258j","","","0.71073","MoKα","","0.0948","0.0538","","","0.1173","0.1327","","","","","","1.078","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211114","5.8077","0.0001","14.4331","0.0004","22.0139","0.0006","90","","97.047","0.002","90","","1831.33","0.08","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Sodium benzoate.2benzoic acid","","- C21 H17 Na O6 -","- C21 H17 Na O6 -","- C84 H68 Na4 O24 -","4","1","","Rees, Gregory J.; Day, Stephen P.; Lari, Alberth; Howes, Andrew P.; Iuga, Dinu; Pitak, Mateusz B.; Coles, Simon J.; Threlfall, Terry L.; Light, Mark E.; Smith, Mark E.; Quigley, David; Wallis, John D.; Hanna, John V.","A multinuclear solid state NMR, density functional theory and X-Ray diffraction study of hydrogen bonding in Group I hydrogen dibenzoates","CrystEngComm","2013","15","43","8823","","10.1039/c3ce41258j","","","0.71073","MoKα","","0.0526","0.0405","","","0.0957","0.1023","","","","","","1.043","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211115","29.586","0.002","3.7964","0.0003","11.1214","0.0008","90","","97.096","0.009","90","","1239.59","0.16","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","potassium hemibenzoate","","- C14 H11 K O4 -","- C14 H11 K O4 -","- C56 H44 K4 O16 -","4","0.5","","Rees, Gregory J.; Day, Stephen P.; Lari, Alberth; Howes, Andrew P.; Iuga, Dinu; Pitak, Mateusz B.; Coles, Simon J.; Threlfall, Terry L.; Light, Mark E.; Smith, Mark E.; Quigley, David; Wallis, John D.; Hanna, John V.","A multinuclear solid state NMR, density functional theory and X-Ray diffraction study of hydrogen bonding in Group I hydrogen dibenzoates","CrystEngComm","2013","15","43","8823","","10.1039/c3ce41258j","","","0.71073","MoKα","","0.0545","0.0432","","","0.1054","0.1114","","","","","","1.051","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211116","29.347","0.004","3.8697","0.0005","11.3973","0.0016","90","","95.478","0.007","90","","1288.4","0.3","100","2","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","rubidium hemibenzoate 6-coordinate polymorph 100 K","","- C14 H11 O4 Rb -","- C14 H11 O4 Rb -","- C56 H44 O16 Rb4 -","4","0.5","","Rees, Gregory J.; Day, Stephen P.; Lari, Alberth; Howes, Andrew P.; Iuga, Dinu; Pitak, Mateusz B.; Coles, Simon J.; Threlfall, Terry L.; Light, Mark E.; Smith, Mark E.; Quigley, David; Wallis, John D.; Hanna, John V.","A multinuclear solid state NMR, density functional theory and X-Ray diffraction study of hydrogen bonding in Group I hydrogen dibenzoates","CrystEngComm","2013","15","43","8823","","10.1039/c3ce41258j","","","0.71075","MoKα","","0.0253","0.025","","","0.0685","0.0687","","","","","","1.078","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211117","29.0315","0.0009","6.963","0.0002","6.6156","0.0002","90","","99.297","0.002","90","","1319.75","0.07","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Rubidium hemibenzoate 8 coordinate polymorph","","- C14 H11 O4 Rb -","- C14 H11 O4 Rb -","- C56 H44 O16 Rb4 -","4","0.5","","Rees, Gregory J.; Day, Stephen P.; Lari, Alberth; Howes, Andrew P.; Iuga, Dinu; Pitak, Mateusz B.; Coles, Simon J.; Threlfall, Terry L.; Light, Mark E.; Smith, Mark E.; Quigley, David; Wallis, John D.; Hanna, John V.","A multinuclear solid state NMR, density functional theory and X-Ray diffraction study of hydrogen bonding in Group I hydrogen dibenzoates","CrystEngComm","2013","15","43","8823","","10.1039/c3ce41258j","","","0.71073","MoKα","","0.0302","0.0278","","","0.0704","0.0723","","","","","","1.115","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211118","28.9095","0.0008","7.0509","0.0002","6.7779","0.0002","90","","99.97","0.002","90","","1360.73","0.07","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","cesium hemibenzoate monoclinic polymorph","","- C14 H11 Cs O4 -","- C14 H11 Cs O4 -","- C56 H44 Cs4 O16 -","4","0.5","","Rees, Gregory J.; Day, Stephen P.; Lari, Alberth; Howes, Andrew P.; Iuga, Dinu; Pitak, Mateusz B.; Coles, Simon J.; Threlfall, Terry L.; Light, Mark E.; Smith, Mark E.; Quigley, David; Wallis, John D.; Hanna, John V.","A multinuclear solid state NMR, density functional theory and X-Ray diffraction study of hydrogen bonding in Group I hydrogen dibenzoates","CrystEngComm","2013","15","43","8823","","10.1039/c3ce41258j","","","0.71073","MoKα","","0.0196","0.0189","","","0.0457","0.0459","","","","","","1.083","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211119","28.3393","0.0019","7.0215","0.0003","6.9066","0.0004","90","","90","","90","","1374.31","0.14","150","2","150","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","cesium hemibenzoate orthorhombic phase","","- C14 H11 Cs O4 -","- C14 H11 Cs O4 -","- C56 H44 Cs4 O16 -","4","0.5","","Rees, Gregory J.; Day, Stephen P.; Lari, Alberth; Howes, Andrew P.; Iuga, Dinu; Pitak, Mateusz B.; Coles, Simon J.; Threlfall, Terry L.; Light, Mark E.; Smith, Mark E.; Quigley, David; Wallis, John D.; Hanna, John V.","A multinuclear solid state NMR, density functional theory and X-Ray diffraction study of hydrogen bonding in Group I hydrogen dibenzoates","CrystEngComm","2013","15","43","8823","","10.1039/c3ce41258j","","","0.71073","MoKα","","0.0426","0.0312","","","0.0503","0.054","","","","","","1.176","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211120","15.125","0.003","6.941","0.001","11.257","0.002","90","","94.76","0.03","90","","1177.7","0.4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C0 H0 F1.5 N0 Na1.5 O5 U -","- F1.5 Na1.5 O5 U -","- F12 Na12 O40 U8 -","8","1","","Chen, Fei; Wang, Congzhi; Shi, Weiqun; Zhang, Miao; Liu, Caiming; Zhao, Yuliang; Chai, Zhifang","Two new uranyl fluoride complexes with UVIO‒alkali (Na, Cs) interactions: Experimental and theoretical studies","CrystEngComm","2013","15","39","8041","","10.1039/c3ce41261j","","","0.71073","MoKα","","0.0217","0.0198","","","0.047","0.0479","","","","","","1.112","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211121","12.1485","0.0012","11.8621","0.0013","12.3655","0.0012","90","","90","","90","","1782","0.3","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cs F5 O4 U2 -","- Cs F5 O4 U2 -","- Cs8 F40 O32 U16 -","8","0.5","","Chen, Fei; Wang, Congzhi; Shi, Weiqun; Zhang, Miao; Liu, Caiming; Zhao, Yuliang; Chai, Zhifang","Two new uranyl fluoride complexes with UVIO‒alkali (Na, Cs) interactions: Experimental and theoretical studies","CrystEngComm","2013","15","39","8041","","10.1039/c3ce41261j","","","0.71073","MoKα","","0.0306","0.0273","","","0.0701","0.0719","","","","","","1.006","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211122","20.4","0.009","9.284","0.009","7.13","0.007","90","","108.7","0.04","90","","1279.1","1.9","150","2","150.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H9 Co0.84 Mn0.16 N O5 -","- C13 H9 Co0.84 Mn0.16 N O5 -","- C52 H36 Co3.36 Mn0.64 N4 O20 -","4","0.5","","Munn, Alexis S.; Clarkson, Guy J.; Millange, Franck; Dumont, Yves; Walton, Richard I.","M(ii) (M = Mn, Co, Ni) variants of the MIL-53-type structure with pyridine-N-oxide as a co-ligand","CrystEngComm","2013","15","45","9679","","10.1039/c3ce41268g","","","0.7107","MoKα","","0.109","0.063","","","0.1314","0.1448","","","","","","1.036","","","","has coordinates,has disorder","180442","2020-10-21","18:00:00",""
"7211123","19.2638","0.0011","7.1952","0.0005","9.2847","0.0007","90","","90","","90","","1286.92","0.15","296","","296","","","","","","","","","6","I m m a","-I 2b 2","74","","","","- C13 H9 Co0.84 Mn0.16 N O5 -","- C13 H9 Co0.84 Mn0.16 N O5 -","- C52 H36 Co3.36 Mn0.64 N4 O20 -","4","0.25","","Munn, Alexis S.; Clarkson, Guy J.; Millange, Franck; Dumont, Yves; Walton, Richard I.","M(ii) (M = Mn, Co, Ni) variants of the MIL-53-type structure with pyridine-N-oxide as a co-ligand","CrystEngComm","2013","15","45","9679","","10.1039/c3ce41268g","","","0.7107","MoKα","","0.0865","0.0568","","","0.1106","0.1213","","","","","","1.083","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211124","20.4094","0.0013","9.1206","0.0005","7.1342","0.0004","90","","109.377","0.005","90","","1252.78","0.13","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H9 Co N O5 -","- C13 H9 Co N O5 -","- C52 H36 Co4 N4 O20 -","4","0.5","","Munn, Alexis S.; Clarkson, Guy J.; Millange, Franck; Dumont, Yves; Walton, Richard I.","M(ii) (M = Mn, Co, Ni) variants of the MIL-53-type structure with pyridine-N-oxide as a co-ligand","CrystEngComm","2013","15","45","9679","","10.1039/c3ce41268g","","","0.71073","MoKα","","0.0925","0.0732","","","0.1834","0.1964","","","","","","1.05","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211125","19.2841","0.0015","7.1837","0.0007","9.2835","0.0009","90","","90","","90","","1286.1","0.2","566","2","566","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C13 H9 Co N O5 -","- C13 H9 Co N O5 -","- C52 H36 Co4 N4 O20 -","4","0.25","","Munn, Alexis S.; Clarkson, Guy J.; Millange, Franck; Dumont, Yves; Walton, Richard I.","M(ii) (M = Mn, Co, Ni) variants of the MIL-53-type structure with pyridine-N-oxide as a co-ligand","CrystEngComm","2013","15","45","9679","","10.1039/c3ce41268g","","","1.54184","CuKα","","0.0642","0.0485","","","0.1108","0.1367","","","","","","1.159","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211126","19.4519","0.0009","7.3237","0.0004","9.326","0.0005","90","","90","","90","","1328.58","0.12","150","2","150.15","","","","","","","","","6","I m m a","-I 2b 2","74","","","","- C13 H9 Co0.35 Mn0.65 N O5 -","- C13 H9 Co0.35 Mn0.65 N O5 -","- C52 H36 Co1.4 Mn2.6 N4 O20 -","4","0.25","","Munn, Alexis S.; Clarkson, Guy J.; Millange, Franck; Dumont, Yves; Walton, Richard I.","M(ii) (M = Mn, Co, Ni) variants of the MIL-53-type structure with pyridine-N-oxide as a co-ligand","CrystEngComm","2013","15","45","9679","","10.1039/c3ce41268g","","","0.71073","MoKα","","0.0548","0.0405","","","0.0948","0.103","","","","","","1.055","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211127","7.5611","0.0006","14.9501","0.0011","10.3894","0.0006","90","","123.74","0.004","90","","976.6","0.13","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Ethenzamide hydrochloride salt","","","- C9 H12 Cl N O2 -","- C9 H12 Cl N O2 -","- C36 H48 Cl4 N4 O8 -","4","1","","Perumalla, Sathyanarayana Reddy; Sun, Changquan Calvin","Synthon preference in O-protonated amide crystals ‒ dominance of short strong hydrogen bonds","CrystEngComm","2013","15","44","8941","","10.1039/c3ce41271g","","","0.71073","MoKα","","0.0281","0.0257","","","0.0709","0.0729","","","","","","1.061","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211128","7.6316","0.0006","15.2521","0.0011","10.6249","0.0006","90","","124.184","0.004","90","","1023.06","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Ethenzamide hydrobromide salt","","","- C9 H12 Br N O2 -","- C9 H12 Br N O2 -","- C36 H48 Br4 N4 O8 -","4","1","","Perumalla, Sathyanarayana Reddy; Sun, Changquan Calvin","Synthon preference in O-protonated amide crystals ‒ dominance of short strong hydrogen bonds","CrystEngComm","2013","15","44","8941","","10.1039/c3ce41271g","","","0.71073","MoKα","","0.0266","0.021","","","0.0489","0.0508","","","","","","1.038","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211129","9.0833","0.0006","5.1811","0.0004","16.3294","0.0011","90","","91.011","0.001","90","","768.37","0.09","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Salicylamide hydrochloride salt","","","- C7 H8 Cl N O2 -","- C7 H8 Cl N O2 -","- C28 H32 Cl4 N4 O8 -","4","1","","Perumalla, Sathyanarayana Reddy; Sun, Changquan Calvin","Synthon preference in O-protonated amide crystals ‒ dominance of short strong hydrogen bonds","CrystEngComm","2013","15","44","8941","","10.1039/c3ce41271g","","","0.71073","MoKα","","0.0331","0.0275","","","0.0752","0.0794","","","","","","1.095","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211130","38.522","0.005","38.522","0.005","3.9027","0.0005","90","","90","","120","","5015.5","1.1","173","2","173","2","","","","","","","","4","R 3 :H","R 3","146","Ethenzamide HNO3 salt","","","- C54 H57 N15 O37 -","- C54 H57 N15 O37 -","- C162 H171 N45 O111 -","3","0.333333","","Perumalla, Sathyanarayana Reddy; Sun, Changquan Calvin","Synthon preference in O-protonated amide crystals ‒ dominance of short strong hydrogen bonds","CrystEngComm","2013","15","44","8941","","10.1039/c3ce41271g","","","0.71073","MoKα","","0.0852","0.065","","","0.2001","0.2149","","","","","","1.517","","","","has coordinates,has disorder","180442","2020-10-21","18:00:00",""
"7211131","6.7925","0.0017","14.67","0.004","11.674","0.003","90","","95.785","0.003","90","","1157.3","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Ethenzamide HClO4 salt","","","- C9 H12 Cl N O6 -","- C9 H12 Cl N O6 -","- C36 H48 Cl4 N4 O24 -","4","1","","Perumalla, Sathyanarayana Reddy; Sun, Changquan Calvin","Synthon preference in O-protonated amide crystals ‒ dominance of short strong hydrogen bonds","CrystEngComm","2013","15","44","8941","","10.1039/c3ce41271g","","","0.71073","MoKα","","0.0388","0.033","","","0.0834","0.0869","","","","","","1.056","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211132","10.2073","0.0007","5.0535","0.0003","16.909","0.0011","90","","104.791","0.001","90","","843.31","0.09","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","SalicylamidE HNO3 salt","","","- C7 H8 N2 O5 -","- C7 H8 N2 O5 -","- C28 H32 N8 O20 -","4","1","","Perumalla, Sathyanarayana Reddy; Sun, Changquan Calvin","Synthon preference in O-protonated amide crystals ‒ dominance of short strong hydrogen bonds","CrystEngComm","2013","15","44","8941","","10.1039/c3ce41271g","","","0.71073","MoKα","","0.037","0.0322","","","0.0855","0.0893","","","","","","1.077","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211133","18.6631","0.0017","5.1858","0.0005","20.166","0.0018","90","","106.852","0.001","90","","1867.9","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Salicylamide HClO4 salt","","","- C7 H8 Cl N O6 -","- C7 H8 Cl N O6 -","- C56 H64 Cl8 N8 O48 -","8","1","","Perumalla, Sathyanarayana Reddy; Sun, Changquan Calvin","Synthon preference in O-protonated amide crystals ‒ dominance of short strong hydrogen bonds","CrystEngComm","2013","15","44","8941","","10.1039/c3ce41271g","","","0.71073","MoKα","","0.0477","0.0338","","","0.0819","0.0882","","","","","","1.058","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211134","5.8473","0.0004","23.1474","0.0015","7.2982","0.0005","90","","95.948","0.001","90","","982.49","0.11","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Acetaminophen hydrobromide monohydrate salt","","","- C8 H12 Br N O3 -","- C8 H12 Br N O3 -","- C32 H48 Br4 N4 O12 -","4","1","","Perumalla, Sathyanarayana Reddy; Sun, Changquan Calvin","Synthon preference in O-protonated amide crystals ‒ dominance of short strong hydrogen bonds","CrystEngComm","2013","15","44","8941","","10.1039/c3ce41271g","","","0.71073","MoKα","","0.0349","0.0271","","","0.0594","0.0619","","","","","","1.078","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211135","26.813","0.005","5.6138","0.0011","13.838","0.003","90","","90.014","0.002","90","","2082.9","0.7","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Phenacetin hemi hydrochloride","","","- C20 H27 Cl N2 O4 -","- C20 H27 Cl N2 O4 -","- C80 H108 Cl4 N8 O16 -","4","0.5","","Perumalla, Sathyanarayana Reddy; Sun, Changquan Calvin","Synthon preference in O-protonated amide crystals ‒ dominance of short strong hydrogen bonds","CrystEngComm","2013","15","44","8941","","10.1039/c3ce41271g","","","0.71073","MoKα","","0.0346","0.0327","","","0.0991","0.1077","","","","","","1.105","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211136","6.7923","0.0004","13.4759","0.0008","14.1913","0.0008","76.127","0.001","77.312","0.001","87.962","0.001","1230.08","0.12","173","2","173","2","","","","","","","","5","P -1","-P 1","2","Phenacetin hydrochloride salt trihydrate","","","- C20 H33 Cl2 N2 O7 -","- C20 H33 Cl2 N2 O7 -","- C40 H66 Cl4 N4 O14 -","2","1","","Perumalla, Sathyanarayana Reddy; Sun, Changquan Calvin","Synthon preference in O-protonated amide crystals ‒ dominance of short strong hydrogen bonds","CrystEngComm","2013","15","44","8941","","10.1039/c3ce41271g","","","0.71073","MoKα","","0.063","0.0508","","","0.1715","0.1835","","","","","","1.315","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211137","13.3","0.0007","12.1554","0.0007","28.501","0.0014","90","","111.742","0.002","90","","4279.9","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Phenacetin hemi hydrobromide","","","- C20 H27 Br N2 O4 -","- C20 H27 Br N2 O4 -","- C160 H216 Br8 N16 O32 -","8","2","","Perumalla, Sathyanarayana Reddy; Sun, Changquan Calvin","Synthon preference in O-protonated amide crystals ‒ dominance of short strong hydrogen bonds","CrystEngComm","2013","15","44","8941","","10.1039/c3ce41271g","","","0.71073","MoKα","","0.0423","0.0285","","","0.0665","0.0717","","","","","","1.008","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211138","6.8379","0.0008","13.72","0.0016","14.2131","0.0017","76.208","0.002","77.572","0.002","87.122","0.002","1264.6","0.3","123","2","123","2","","","","","","","","5","P -1","-P 1","2","Phenacetin hydrobromide trihydrate","","","- C20 H33 Br2 N2 O7 -","- C20 H33 Br2 N2 O7 -","- C40 H66 Br4 N4 O14 -","2","1","","Perumalla, Sathyanarayana Reddy; Sun, Changquan Calvin","Synthon preference in O-protonated amide crystals ‒ dominance of short strong hydrogen bonds","CrystEngComm","2013","15","44","8941","","10.1039/c3ce41271g","","","0.71073","MoKα","","0.0417","0.0331","","","0.0921","0.0969","","","","","","1.042","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211139","8.945","0.003","10.17","0.003","11.149","0.003","111.26","0.03","100.11","0.03","97.47","0.03","909.6","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H16 N2 O7 -","- C21 H16 N2 O7 -","- C42 H32 N4 O14 -","2","1","","Sowa, Michał; Ślepokura, Katarzyna; Matczak-Jon, Ewa","Cocrystals of fisetin, luteolin and genistein with pyridinecarboxamide coformers: crystal structures, analysis of intermolecular interactions, spectral and thermal characterization","CrystEngComm","2013","15","38","7696","","10.1039/c3ce41285g","","","0.71073","MoKα","","0.1456","0.0786","","","0.1391","0.1611","","","","","","1.111","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211140","8.747","0.003","10.231","0.003","10.915","0.003","110.96","0.03","98.49","0.03","98","0.03","882.5","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H16 N2 O7 -","- C21 H16 N2 O7 -","- C42 H32 N4 O14 -","2","1","","Sowa, Michał; Ślepokura, Katarzyna; Matczak-Jon, Ewa","Cocrystals of fisetin, luteolin and genistein with pyridinecarboxamide coformers: crystal structures, analysis of intermolecular interactions, spectral and thermal characterization","CrystEngComm","2013","15","38","7696","","10.1039/c3ce41285g","","","0.71073","MoKα","","0.0687","0.0461","","","0.1253","0.1343","","","","","","1.001","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211141","7.629","0.002","33.472","0.009","10.073","0.003","90","","98.39","0.03","90","","2544.7","1.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 N4 O8.5 -","- C28 H25 N4 O8.5 -","- C112 H100 N16 O34 -","4","1","","Sowa, Michał; Ślepokura, Katarzyna; Matczak-Jon, Ewa","Cocrystals of fisetin, luteolin and genistein with pyridinecarboxamide coformers: crystal structures, analysis of intermolecular interactions, spectral and thermal characterization","CrystEngComm","2013","15","38","7696","","10.1039/c3ce41285g","","","0.71073","MoKα","","0.1186","0.0657","","","0.1374","0.1598","","","","","","1.035","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7211142","7.449","0.002","33.32","0.008","10.028","0.003","90","","97.88","0.03","90","","2465.5","1.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 N4 O8.5 -","- C28 H25 N4 O8.5 -","- C112 H100 N16 O34 -","4","1","","Sowa, Michał; Ślepokura, Katarzyna; Matczak-Jon, Ewa","Cocrystals of fisetin, luteolin and genistein with pyridinecarboxamide coformers: crystal structures, analysis of intermolecular interactions, spectral and thermal characterization","CrystEngComm","2013","15","38","7696","","10.1039/c3ce41285g","","","0.71073","MoKα","","0.0614","0.0464","","","0.1026","0.109","","","","","","1.061","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7211143","3.78","0.002","41.196","0.01","11.65","0.004","90","","92.69","0.03","90","","1812.1","1.2","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C21 H18 N2 O7 -","- C21 H18 N2 O7 -","- C84 H72 N8 O28 -","4","1","","Sowa, Michał; Ślepokura, Katarzyna; Matczak-Jon, Ewa","Cocrystals of fisetin, luteolin and genistein with pyridinecarboxamide coformers: crystal structures, analysis of intermolecular interactions, spectral and thermal characterization","CrystEngComm","2013","15","38","7696","","10.1039/c3ce41285g","","","0.71073","MoKα","","0.0453","0.0366","","","0.075","0.0784","","","","","","1.056","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211144","3.706","0.002","41.15","0.01","11.564","0.004","90","","92.44","0.03","90","","1761.9","1.2","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C21 H18 N2 O7 -","- C21 H18 N2 O7 -","- C84 H72 N8 O28 -","4","1","","Sowa, Michał; Ślepokura, Katarzyna; Matczak-Jon, Ewa","Cocrystals of fisetin, luteolin and genistein with pyridinecarboxamide coformers: crystal structures, analysis of intermolecular interactions, spectral and thermal characterization","CrystEngComm","2013","15","38","7696","","10.1039/c3ce41285g","","","0.71073","MoKα","","0.0389","0.0339","","","0.0716","0.0736","","","","","","1.053","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211145","4.278","0.002","12.561","0.004","17.37","0.006","94.86","0.03","92.76","0.03","99.14","0.03","916.4","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H16 N2 O7 -","- C21 H16 N2 O7 -","- C42 H32 N4 O14 -","2","1","","Sowa, Michał; Ślepokura, Katarzyna; Matczak-Jon, Ewa","Cocrystals of fisetin, luteolin and genistein with pyridinecarboxamide coformers: crystal structures, analysis of intermolecular interactions, spectral and thermal characterization","CrystEngComm","2013","15","38","7696","","10.1039/c3ce41285g","","","0.71073","MoKα","","0.1656","0.0689","","","0.1043","0.1281","","","","","","1.001","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211146","4.265","0.002","12.485","0.004","17.03","0.006","94.22","0.03","91.27","0.03","100.04","0.03","889.9","0.6","102","2","102","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H16 N2 O7 -","- C21 H16 N2 O7 -","- C42 H32 N4 O14 -","2","1","","Sowa, Michał; Ślepokura, Katarzyna; Matczak-Jon, Ewa","Cocrystals of fisetin, luteolin and genistein with pyridinecarboxamide coformers: crystal structures, analysis of intermolecular interactions, spectral and thermal characterization","CrystEngComm","2013","15","38","7696","","10.1039/c3ce41285g","","","0.71073","MoKα","","0.0727","0.0394","","","0.0739","0.0787","","","","","","1.019","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211147","7.479","0.003","8.702","0.003","14.642","0.004","104.49","0.03","92.07","0.03","105.2","0.03","885.1","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H16 N2 O7 -","- C21 H16 N2 O7 -","- C42 H32 N4 O14 -","2","1","","Sowa, Michał; Ślepokura, Katarzyna; Matczak-Jon, Ewa","Cocrystals of fisetin, luteolin and genistein with pyridinecarboxamide coformers: crystal structures, analysis of intermolecular interactions, spectral and thermal characterization","CrystEngComm","2013","15","38","7696","","10.1039/c3ce41285g","","","0.71073","MoKα","","0.0518","0.0439","","","0.1088","0.1132","","","","","","1.089","","","","has coordinates,has disorder","180442","2020-10-21","18:00:00",""
"7211148","15.8046","0.001","18.7688","0.001","20.6949","0.0012","90","","102.839","0.003","90","","5985.3","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C108 H146 N10 O32 P6 Zn7 -","- C108 H146 N10 O32 P6 Zn7 -","- C216 H292 N20 O64 P12 Zn14 -","2","0.5","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","Two new molecular zinc phosphonates with bright luminescence for sensing UV radiation","CrystEngComm","2013","15","44","8937","","10.1039/c3ce41298a","","","0.71073","MoKα","","0.0887","0.0632","","","0.1422","0.1593","","","","","","1.097","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211149","15.836","0.006","22.682","0.008","18.49","0.007","90","","105.99","0.006","90","","6385","4","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C96 H150 N14 O48 P6 Zn9 -","- C96.006 H114 N14 O48 P6 Zn9 -","- C192.012 H228 N28 O96 P12 Zn18 -","2","0.5","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","Two new molecular zinc phosphonates with bright luminescence for sensing UV radiation","CrystEngComm","2013","15","44","8937","","10.1039/c3ce41298a","","","0.71073","MoKα","","0.0658","0.0609","","","0.1685","0.173","","","","","","1.121","","","","has coordinates,has disorder","180442","2020-10-21","18:00:00",""
"7211150","15.827","0.006","22.632","0.008","18.636","0.006","90","","106.024","0.006","90","","6416","4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C96 H150 N14 O48 P6 Zn9 -","- C96 H114 N13.994 O48 P6 Zn9 -","- C192 H228 N27.988 O96 P12 Zn18 -","2","0.5","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","Two new molecular zinc phosphonates with bright luminescence for sensing UV radiation","CrystEngComm","2013","15","44","8937","","10.1039/c3ce41298a","","","0.71073","MoKα","","0.1048","0.0859","","","0.1974","0.2085","","","","","","1.204","","","","has coordinates,has disorder","180442","2020-10-21","18:00:00",""
"7211151","15.789","0.006","18.802","0.007","20.84","0.008","90","","103.286","0.007","90","","6021","4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C108 H146 N10 O32 P6 Zn7 -","- C108 H146 N10 O32 P6 Zn7 -","- C216 H292 N20 O64 P12 Zn14 -","2","0.5","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","Two new molecular zinc phosphonates with bright luminescence for sensing UV radiation","CrystEngComm","2013","15","44","8937","","10.1039/c3ce41298a","","","0.71073","MoKα","","0.0595","0.0451","","","0.1227","0.1338","","","","","","1.039","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211152","18.768","0.009","28.89","0.014","9.479","0.005","90","","90","","90","","5140","4","293","2","293","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C24 H24 N3 O7.5 S Zn -","- C24 H19 N3 O6 S Zn -","- C192 H152 N24 O48 S8 Zn8 -","8","1","","Wei, Na; Zhang, Ya-Ru; Han, Zheng-Bo","Thiadiazole-functional porous metal‒organic framework as luminescent probe for Cd2+","CrystEngComm","2013","15","44","8883","","10.1039/c3ce41308j","","","0.71073","MoKα","","0.0933","0.09","","","0.2343","0.2358","","","","","","1.205","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211153","12.7243","0.0013","14.7895","0.0015","19.099","0.0019","106.503","0.001","95.497","0.001","99.092","0.001","3365","0.6","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H33 Ag7 Cl N20 O40 P W11 -","- C30 H29 Ag7 Cl N20 O40 P W11 -","- C60 H58 Ag14 Cl2 N40 O80 P2 W22 -","2","1","","Shi, Zhen-yu; Peng, Jun; Li, Yang-guang; Zhang, Zhe-yu; Yu, Xia; Alimaje, Kundawlet; Wang, Xiang","Assembly of multinuclear Ag complexes and Keggin polyoxometalates adjusted by organic ligands: syntheses, structures and luminescence","CrystEngComm","2013","15","37","7583","","10.1039/c3ce41312h","","","0.71073","MoKα","","0.0761","0.0553","","","0.1492","0.1601","","","","","","1.077","","","","has coordinates,has disorder","180442","2020-10-21","18:00:00",""
"7211154","20.222","0.005","20.222","0.005","14.199","0.005","90","0.005","90","0.005","90","0.005","5806","3","293","2","293","2","","","","","","","","7","P 42/n :2","-P 4bc","86","","","","- C24 H22 Ag3 N10 O42 P W12 -","- C24 H18 Ag3 N10 O42 P W12 -","- C96 H72 Ag12 N40 O168 P4 W48 -","4","0.5","","Shi, Zhen-yu; Peng, Jun; Li, Yang-guang; Zhang, Zhe-yu; Yu, Xia; Alimaje, Kundawlet; Wang, Xiang","Assembly of multinuclear Ag complexes and Keggin polyoxometalates adjusted by organic ligands: syntheses, structures and luminescence","CrystEngComm","2013","15","37","7583","","10.1039/c3ce41312h","","","0.71069","MoKα","","0.0845","0.0531","","","0.1004","0.1125","","","","","","1.178","","","","has coordinates,has disorder","180442","2020-10-21","18:00:00",""
"7211155","5.5406","0.0006","11.413","0.0013","12.5086","0.0015","64.504","0.002","88.982","0.002","81.527","0.002","705.23","0.14","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H16 Cl4 Co N4 O10 S2 -","- C24 H16 Cl4 Co N4 O10 S2 -","- C24 H16 Cl4 Co N4 O10 S2 -","1","0.5","","Zhao, Fangfang; Zhang, Guangju; Dong, Huan; Ji, Wenbin; Zhou, Lei; Li, Hao; Hu, Hailiang; Liu, Yang; Kang, Zhenhui","Transition metal-directed assembly of diverse coordination polymers based on multifunctional ligand 2,4-dichloro-5-sulfamoylbenzoic acid","CrystEngComm","2013","15","42","8483","","10.1039/c3ce41331d","","","0.71073","MoKα","","0.0632","0.0424","","","0.0916","0.1006","","","","","","1.023","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211156","10.026","0.001","10.3105","0.001","10.8084","0.0011","67.618","0.001","74.945","0.001","64.458","0.001","926.02","0.16","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H10 Cd Cl2 N3 O5 S -","- C17 H10 Cd Cl2 N3 O5 S -","- C34 H20 Cd2 Cl4 N6 O10 S2 -","2","1","","Zhao, Fangfang; Zhang, Guangju; Dong, Huan; Ji, Wenbin; Zhou, Lei; Li, Hao; Hu, Hailiang; Liu, Yang; Kang, Zhenhui","Transition metal-directed assembly of diverse coordination polymers based on multifunctional ligand 2,4-dichloro-5-sulfamoylbenzoic acid","CrystEngComm","2013","15","42","8483","","10.1039/c3ce41331d","","","0.71073","MoKα","","0.0206","0.0196","","","0.0499","0.0504","","","","","","1.078","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211157","16.236","0.002","10.7795","0.0014","22.336","0.003","90","","110.571","0.002","90","","3659.9","0.8","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C17 H10 Cl2 N3 O4 S Zn -","- C17 H10 Cl2 N3 O4 S Zn -","- C136 H80 Cl16 N24 O32 S8 Zn8 -","8","1","","Zhao, Fangfang; Zhang, Guangju; Dong, Huan; Ji, Wenbin; Zhou, Lei; Li, Hao; Hu, Hailiang; Liu, Yang; Kang, Zhenhui","Transition metal-directed assembly of diverse coordination polymers based on multifunctional ligand 2,4-dichloro-5-sulfamoylbenzoic acid","CrystEngComm","2013","15","42","8483","","10.1039/c3ce41331d","","","0.71073","MoKα","","0.024","0.0216","","","0.0565","0.0578","","","","","","1.05","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211158","10.642","0.0011","16.0895","0.0016","18.2984","0.0019","64.614","0.002","89.078","0.002","79.539","0.002","2776.8","0.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C92 H78 Cl6 Cu6 N16 O37 S6 -","- C92 H68 Cl6 Cu6 N16 O37 S6 -","- C92 H68 Cl6 Cu6 N16 O37 S6 -","1","0.5","","Zhao, Fangfang; Zhang, Guangju; Dong, Huan; Ji, Wenbin; Zhou, Lei; Li, Hao; Hu, Hailiang; Liu, Yang; Kang, Zhenhui","Transition metal-directed assembly of diverse coordination polymers based on multifunctional ligand 2,4-dichloro-5-sulfamoylbenzoic acid","CrystEngComm","2013","15","42","8483","","10.1039/c3ce41331d","","","0.71073","MoKα","","0.0762","0.0454","","","0.0983","0.112","","","","","","1","","","","has coordinates,has disorder","180442","2020-10-21","18:00:00",""
"7211159","18.7028","0.0047","18.7028","0.0047","18.2028","0.006","90","","90","","90","","6367","3","295","","295","","","","","","","","","5","I 4/m m m","-I 4 2","139","MIL125-NH2","","","- C24 H39 N3 O29 Ti4 -","- C30 H15 N5 O50.875 Ti4 -","- C60 H30 N10 O101.75 Ti8 -","2","0.0625","","Smalley, Adam P.; Reid, David G.; Tan, Jin Chong; Lloyd, Gareth O.","Alternative synthetic methodology for amide formation in the post-synthetic modification of Ti-MIL125-NH2","CrystEngComm","2013","15","45","9368","","10.1039/c3ce41332b","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","0.06929","4.663","","","","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211160","9.6931","0.0006","11.3006","0.0008","14.3505","0.001","73.455","0.003","81.523","0.003","81.699","0.004","1481.66","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25.5 H23 La N3 O11.5 -","- C25.5 H20.5 La N3 O10.8 -","- C51 H41 La2 N6 O21.6 -","2","1","","Guo, Li-Rong; Tang, Xiao-Liang; Ju, Zheng-Hua; Zhang, Kai-Ming; Jiang, Hui-E; Liu, Wei-Sheng","Lanthanide metal‒organic frameworks constructed by asymmetric 2-nitrobiphenyl-4,4′-dicarboxylate ligand: syntheses, structures, luminescence and magnetic investigations","CrystEngComm","2013","15","44","9020","","10.1039/c3ce41370e","","","0.71073","MoKα","","0.0699","0.0596","","","0.166","0.1777","","","","","","1.084","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7211161","9.6675","0.0008","11.2358","0.001","14.3181","0.0011","73.513","0.004","81.448","0.004","82.179","0.005","1467.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25.5 H23 Ce N3 O11.5 -","- C25.5 H20.5 Ce N3 O10.7 -","- C51 H41 Ce2 N6 O21.4 -","2","1","","Guo, Li-Rong; Tang, Xiao-Liang; Ju, Zheng-Hua; Zhang, Kai-Ming; Jiang, Hui-E; Liu, Wei-Sheng","Lanthanide metal‒organic frameworks constructed by asymmetric 2-nitrobiphenyl-4,4′-dicarboxylate ligand: syntheses, structures, luminescence and magnetic investigations","CrystEngComm","2013","15","44","9020","","10.1039/c3ce41370e","","","0.71073","MoKα","","0.116","0.0833","","","0.2081","0.2348","","","","","","1.018","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7211162","9.6508","0.0007","11.3218","0.0009","14.3139","0.0011","73.017","0.004","81.282","0.004","81.99","0.004","1471","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25.5 H23 N3 O11.5 Pr -","- C25.5 H20.5 N3 O10.7 Pr -","- C51 H41 N6 O21.4 Pr2 -","2","1","","Guo, Li-Rong; Tang, Xiao-Liang; Ju, Zheng-Hua; Zhang, Kai-Ming; Jiang, Hui-E; Liu, Wei-Sheng","Lanthanide metal‒organic frameworks constructed by asymmetric 2-nitrobiphenyl-4,4′-dicarboxylate ligand: syntheses, structures, luminescence and magnetic investigations","CrystEngComm","2013","15","44","9020","","10.1039/c3ce41370e","","","0.71073","MoKα","","0.0907","0.0719","","","0.1974","0.2177","","","","","","1.065","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7211163","9.6255","0.0003","11.3582","0.0004","14.3241","0.0005","72.709","0.002","81.124","0.002","81.892","0.002","1469.81","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25.5 H23 N3 Nd O11.5 -","- C25.5 H20.5 N3 Nd O10.7 -","- C51 H41 N6 Nd2 O21.4 -","2","1","","Guo, Li-Rong; Tang, Xiao-Liang; Ju, Zheng-Hua; Zhang, Kai-Ming; Jiang, Hui-E; Liu, Wei-Sheng","Lanthanide metal‒organic frameworks constructed by asymmetric 2-nitrobiphenyl-4,4′-dicarboxylate ligand: syntheses, structures, luminescence and magnetic investigations","CrystEngComm","2013","15","44","9020","","10.1039/c3ce41370e","","","0.71073","MoKα","","0.0671","0.0575","","","0.1591","0.1713","","","","","","1.052","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7211164","9.5818","0.0005","11.4188","0.0007","14.313","0.0008","72.293","0.003","80.953","0.003","81.968","0.003","1466.23","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25.5 H23 N3 O11.5 Sm -","- C25.5 H20.5 N3 O10.9 Sm -","- C51 H41 N6 O21.8 Sm2 -","2","1","","Guo, Li-Rong; Tang, Xiao-Liang; Ju, Zheng-Hua; Zhang, Kai-Ming; Jiang, Hui-E; Liu, Wei-Sheng","Lanthanide metal‒organic frameworks constructed by asymmetric 2-nitrobiphenyl-4,4′-dicarboxylate ligand: syntheses, structures, luminescence and magnetic investigations","CrystEngComm","2013","15","44","9020","","10.1039/c3ce41370e","","","0.71073","MoKα","","0.0843","0.0659","","","0.1803","0.1987","","","","","","1.069","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7211165","9.5632","0.0003","11.4212","0.0004","14.3028","0.0005","72.138","0.002","80.833","0.002","81.905","0.002","1460.86","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25.5 H23 Eu N3 O11.5 -","- C25.5 H20.5 Eu N3 O10.2 -","- C51 H41 Eu2 N6 O20.4 -","2","1","","Guo, Li-Rong; Tang, Xiao-Liang; Ju, Zheng-Hua; Zhang, Kai-Ming; Jiang, Hui-E; Liu, Wei-Sheng","Lanthanide metal‒organic frameworks constructed by asymmetric 2-nitrobiphenyl-4,4′-dicarboxylate ligand: syntheses, structures, luminescence and magnetic investigations","CrystEngComm","2013","15","44","9020","","10.1039/c3ce41370e","","","0.71073","MoKα","","0.0687","0.0539","","","0.1402","0.154","","","","","","1.041","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7211166","9.5532","0.0006","11.4479","0.0007","14.3067","0.0008","71.998","0.003","80.74","0.003","81.872","0.003","1461.63","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25.5 H23 Gd N3 O11.5 -","- C25.5 H20.5 Gd N3 O10.9 -","- C51 H41 Gd2 N6 O21.8 -","2","1","","Guo, Li-Rong; Tang, Xiao-Liang; Ju, Zheng-Hua; Zhang, Kai-Ming; Jiang, Hui-E; Liu, Wei-Sheng","Lanthanide metal‒organic frameworks constructed by asymmetric 2-nitrobiphenyl-4,4′-dicarboxylate ligand: syntheses, structures, luminescence and magnetic investigations","CrystEngComm","2013","15","44","9020","","10.1039/c3ce41370e","","","0.71073","MoKα","","0.0744","0.0619","","","0.1527","0.1649","","","","","","1.063","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7211167","9.471","0.003","11.43","0.004","14.264","0.004","71.787","0.012","80.912","0.008","82.319","0.011","1442.5","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25.5 H23 N3 O11.5 Tb -","- C25.5 H20.5 N3 O10.9 Tb -","- C51 H41 N6 O21.8 Tb2 -","2","1","","Guo, Li-Rong; Tang, Xiao-Liang; Ju, Zheng-Hua; Zhang, Kai-Ming; Jiang, Hui-E; Liu, Wei-Sheng","Lanthanide metal‒organic frameworks constructed by asymmetric 2-nitrobiphenyl-4,4′-dicarboxylate ligand: syntheses, structures, luminescence and magnetic investigations","CrystEngComm","2013","15","44","9020","","10.1039/c3ce41370e","","","0.71073","MoKα","","0.1648","0.0967","","","0.2182","0.2556","","","","","","1.017","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7211168","10.513","0.002","10.585","0.002","13.976","0.003","75.452","0.017","74.622","0.018","89.947","0.017","1447.9","0.5","215","2","215","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H23 Cd Co2 N O9 -","- C27 H23 Cd Co2 N O9 -","- C54 H46 Cd2 Co4 N2 O18 -","2","1","","Kettner, Florian; Kischel, Marcus; Krautscheid, Harald","Coordination polymers based on 1,1′-cobaltocenium dicarboxylate linkers","CrystEngComm","2013","15","42","8437","","10.1039/c3ce41371c","","","0.71073","MoKα","","0.102","0.0598","","","0.1281","0.1401","","","","","","0.896","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211169","10.2788","0.001","10.2788","0.001","26.373","0.003","90","","90","","90","","2786.4","0.5","213","2","213","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C24 H24 Co2 O12 Zn -","- C24 H24 Co2 O12 Zn -","- C96 H96 Co8 O48 Zn4 -","4","0.25","","Kettner, Florian; Kischel, Marcus; Krautscheid, Harald","Coordination polymers based on 1,1′-cobaltocenium dicarboxylate linkers","CrystEngComm","2013","15","42","8437","","10.1039/c3ce41371c","","","0.71073","MoKα","","0.0408","0.029","","","0.0736","0.0763","","","","","","0.927","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211170","10.3301","0.001","10.2174","0.0011","26.267","0.003","90","","90","","93.932","0.008","2765.9","0.5","180","2","180","2","","","","","","","","5","I 1 1 2/b","-I 2b","15","","","","- C24 H17.5 Co2 O8.75 Zn -","- C24 H16 Co2 O8.75 Zn -","- C96 H64 Co8 O35 Zn4 -","4","0.5","","Kettner, Florian; Kischel, Marcus; Krautscheid, Harald","Coordination polymers based on 1,1′-cobaltocenium dicarboxylate linkers","CrystEngComm","2013","15","42","8437","","10.1039/c3ce41371c","","","0.71073","MoKα","","0.0947","0.0687","","","0.1961","0.2108","","","","","","1.005","","","","has coordinates","209504","2020-10-21","18:00:00",""
"7211171","10.5609","0.0006","10.5609","0.0006","22.641","0.0016","90","","90","","90","","2525.2","0.3","180","2","180","2","","","","","","","","5","P 41","P 4w","76","","","","- C25.5 H22 Co2 Cu O9.5 -","- C25.5 H22 Co2 Cu O9.5 -","- C102 H88 Co8 Cu4 O38 -","4","1","","Kettner, Florian; Kischel, Marcus; Krautscheid, Harald","Coordination polymers based on 1,1′-cobaltocenium dicarboxylate linkers","CrystEngComm","2013","15","42","8437","","10.1039/c3ce41371c","","x-ray","0.71073","MoKα","","0.0668","0.0454","","","0.1081","0.1153","","","","","","0.92","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211172","10.5985","0.0012","10.5985","0.0012","20.4","0.003","90","","90","","90","","2291.5","0.5","180","2","180","2","","","","","","","","5","P 41","P 4w","76","","","","- C24.5 H18 Co2 Cu O8.5 -","- C24.5 H18 Co2 Cu O8.5 -","- C98 H72 Co8 Cu4 O34 -","4","1","","Kettner, Florian; Kischel, Marcus; Krautscheid, Harald","Coordination polymers based on 1,1′-cobaltocenium dicarboxylate linkers","CrystEngComm","2013","15","42","8437","","10.1039/c3ce41371c","","x-ray","0.71073","MoKα","","0.1071","0.0765","","","0.224","0.2422","","","","","","0.988","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211173","6.8096","0.0012","12.27","0.003","14.134","0.003","84.323","0.016","78.295","0.015","79.696","0.016","1135.3","0.4","213","2","213","2","","","","","","","","8","P -1","-P 1","2","","","","- C22 H16 Co F6 N2 O4 P Zn -","- C22 H16 Co F6 N2 O4 P Zn -","- C44 H32 Co2 F12 N4 O8 P2 Zn2 -","2","1","","Kettner, Florian; Kischel, Marcus; Krautscheid, Harald","Coordination polymers based on 1,1′-cobaltocenium dicarboxylate linkers","CrystEngComm","2013","15","42","8437","","10.1039/c3ce41371c","","","0.71073","MoKα","","0.0724","0.044","","","0.099","0.1055","","","","","","0.873","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7211174","16.6224","0.0013","11.4498","0.0008","23.447","0.003","90","","90","","90","","4462.5","0.7","213","2","213","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C22 H16 Co F6 N2 O4 P Zn -","- C22 H16 Co F6 N2 O4 P Zn -","- C176 H128 Co8 F48 N16 O32 P8 Zn8 -","8","2","","Kettner, Florian; Kischel, Marcus; Krautscheid, Harald","Coordination polymers based on 1,1′-cobaltocenium dicarboxylate linkers","CrystEngComm","2013","15","42","8437","","10.1039/c3ce41371c","","","0.71073","MoKα","","0.0662","0.042","","","0.0802","0.0853","","","","","","0.83","","","","has coordinates,has disorder","180442","2020-10-21","18:00:00",""
"7211175","16.541","0.0016","11.1592","0.0007","23.5962","0.0018","90","","90","","90","","4355.5","0.6","180","2","180","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C22 H16 Co Cu F6 N2 O4 P -","- C22 H16 Co Cu F6 N2 O4 P -","- C176 H128 Co8 Cu8 F48 N16 O32 P8 -","8","2","","Kettner, Florian; Kischel, Marcus; Krautscheid, Harald","Coordination polymers based on 1,1′-cobaltocenium dicarboxylate linkers","CrystEngComm","2013","15","42","8437","","10.1039/c3ce41371c","","","0.71073","MoKα","","0.0748","0.0523","","","0.1232","0.1327","","","","","","0.953","","","","has coordinates,has disorder","180442","2020-10-21","18:00:00",""
"7211176","7.566","0.0003","11.56","0.0004","12.262","0.0004","74.727","0.002","76.51","0.002","78.804","0.002","995.93","0.06","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 N2 O8 S -","- C20 H20 N2 O8 S -","- C40 H40 N4 O16 S2 -","2","1","","Allão Cassaro, Rafael A.; Resende, Jackson A. L. C.; Santos Jr., Sauli; Sorace, Lorenzo; Andruh, Marius; Vaz, Maria G. F.","A 3-D coordination network constructed from an angular bis-oxamato tecton and calcium ions","CrystEngComm","2013","15","42","8422","","10.1039/c3ce41376d","","x-ray","0.71073","MoKα","","0.0483","0.034","","","0.0765","0.083","","","","","","1.02","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211177","10.4318","0.0006","16.658","0.001","10.1656","0.0005","90","","90","","90","","1766.51","0.17","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C16 H16 N2 O10 S -","- C16 H16 N2 O10 S -","- C64 H64 N8 O40 S4 -","4","0.5","","Allão Cassaro, Rafael A.; Resende, Jackson A. L. C.; Santos Jr., Sauli; Sorace, Lorenzo; Andruh, Marius; Vaz, Maria G. F.","A 3-D coordination network constructed from an angular bis-oxamato tecton and calcium ions","CrystEngComm","2013","15","42","8422","","10.1039/c3ce41376d","","","0.71073","MoKα","","0.0779","0.0361","","","0.0681","0.075","","","","","","0.803","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211178","15.876","0.003","23.562","0.005","12.514","0.003","90","","117.77","0.03","90","","4142","1.9","120","2","120","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 Ca N2 O11 S -","- C16 H16 Ca N2 O11 S -","- C128 H128 Ca8 N16 O88 S8 -","8","1","","Allão Cassaro, Rafael A.; Resende, Jackson A. L. C.; Santos Jr., Sauli; Sorace, Lorenzo; Andruh, Marius; Vaz, Maria G. F.","A 3-D coordination network constructed from an angular bis-oxamato tecton and calcium ions","CrystEngComm","2013","15","42","8422","","10.1039/c3ce41376d","","x-ray","1.54184","CuKα","","0.067","0.05","","","0.1346","0.1436","","","","","","1.058","","","","has coordinates,has disorder","180442","2020-10-21","18:00:00",""
"7211179","23.643","0.009","10.85","0.005","34.239","0.015","90","","100.091","0.011","90","","8647","6","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H56 Mn3 N4 O19 -","- C72 H56 Mn3 N4 O19 -","- C288 H224 Mn12 N16 O76 -","4","0.5","","Yi, Fei-Yan; Dang, Song; Yang, Weiting; Sun, Zhong-Ming","Construction of porous Mn(ii)-based metal‒organic frameworks by flexible hexacarboxylic acid and rigid coligands","CrystEngComm","2013","15","41","8320","","10.1039/c3ce41406j","","","0.71073","MoKα","","0.1128","0.0872","","","0.2307","0.252","","","","","","1.014","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211180","29.96","0.007","20.191","0.005","16.386","0.004","90","","110.129","0.004","90","","9307","4","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H50 Mn3 N4 O19 -","- C64 H50 Mn3 N4 O19 -","- C256 H200 Mn12 N16 O76 -","4","0.5","","Yi, Fei-Yan; Dang, Song; Yang, Weiting; Sun, Zhong-Ming","Construction of porous Mn(ii)-based metal‒organic frameworks by flexible hexacarboxylic acid and rigid coligands","CrystEngComm","2013","15","41","8320","","10.1039/c3ce41406j","","","0.71073","MoKα","","0.1427","0.0977","","","0.275","0.3136","","","","","","1.006","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211181","47.138","0.012","75.02","0.02","10.521","0.003","90","","90","","90","","37205","17","273","2","273","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C64 H54 Mn3 N4 O21 -","- C64 H54 Mn3 N4 O21 -","- C1024 H864 Mn48 N64 O336 -","16","1","","Yi, Fei-Yan; Dang, Song; Yang, Weiting; Sun, Zhong-Ming","Construction of porous Mn(ii)-based metal‒organic frameworks by flexible hexacarboxylic acid and rigid coligands","CrystEngComm","2013","15","41","8320","","10.1039/c3ce41406j","","","0.71073","MoKα","","0.124","0.0696","","","0.1448","0.1593","","","","","","1.066","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211182","15.3269","0.0012","25.4411","0.0018","31.096","0.002","73.244","0.002","80.178","0.002","82.093","0.002","11390","1.4","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C131 H107 Mn6 N6 O43 -","- C131 H104 Mn6 N6 O43 -","- C262 H208 Mn12 N12 O86 -","2","1","","Yi, Fei-Yan; Dang, Song; Yang, Weiting; Sun, Zhong-Ming","Construction of porous Mn(ii)-based metal‒organic frameworks by flexible hexacarboxylic acid and rigid coligands","CrystEngComm","2013","15","41","8320","","10.1039/c3ce41406j","","","0.71073","MoKα","","0.187","0.0836","","","0.1836","0.1985","","","","","","1.004","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211183","32.393","0.003","10.8402","0.0012","20.303","0.002","90","","96.286","0.002","90","","7086.5","1.2","147","2","147","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","m-HOPhO-BsubPc","(3-Hydroxyphenolato)(subphthalocyaninato)boron","","- C45 H32 B N6 O2 -","- C45 H32 B N6 O2 -","- C360 H256 B8 N48 O16 -","8","1","","Virdo, Jessica D.; Crandall, Laura; Dang, Jeremy D.; Fulford, Mabel V.; Lough, Alan J.; Durfee, William S.; Bender, Timothy P.","The influence of strong and weak hydrogen bonds on the solid state arrangement of hydroxy-containing boron subphthalocyanines","CrystEngComm","2013","15","42","8578","","10.1039/c3ce41412d","","","0.71073","MoKα","","0.0977","0.052","","","0.1182","0.1382","","","","","","1.021","","","","has coordinates,has disorder","180442","2020-10-21","18:00:00",""
"7211184","16.211","0.0011","9.4838","0.0006","20.4044","0.0014","90","","110.991","0.004","90","","2928.8","0.3","147","2","147","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","p-HOPhO-BsubPc","(4-Hydroxyphenolato)(subphthalocyaninato)boron","","- C37 H25 B N6 O2 -","- C37 H25 B N6 O2 -","- C148 H100 B4 N24 O8 -","4","1","","Virdo, Jessica D.; Crandall, Laura; Dang, Jeremy D.; Fulford, Mabel V.; Lough, Alan J.; Durfee, William S.; Bender, Timothy P.","The influence of strong and weak hydrogen bonds on the solid state arrangement of hydroxy-containing boron subphthalocyanines","CrystEngComm","2013","15","42","8578","","10.1039/c3ce41412d","","","1.54178","CuKα","","0.0384","0.0346","","","0.0857","0.0887","","","","","","1.05","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211185","8.9397","0.0005","12.8974","0.0008","13.0121","0.0007","105.828","0.003","109.874","0.003","99.661","0.003","1299.94","0.14","150","1","150","1","","","","","","","","6","P -1","-P 1","2","m-HOPhO-BsubPc","(3-Hydroxyphenolato)(subphthalocyaninato)boron","","- C30.69 H19 B Cl1.38 N6 O2.31 -","- C30.69 H19 B Cl1.38 N6 O2.31 -","- C61.38 H38 B2 Cl2.76 N12 O4.62 -","2","1","","Virdo, Jessica D.; Crandall, Laura; Dang, Jeremy D.; Fulford, Mabel V.; Lough, Alan J.; Durfee, William S.; Bender, Timothy P.","The influence of strong and weak hydrogen bonds on the solid state arrangement of hydroxy-containing boron subphthalocyanines","CrystEngComm","2013","15","42","8578","","10.1039/c3ce41412d","","","1.54178","CuKα","","0.0697","0.0674","","","0.1732","0.1743","","","","","","1.195","","","","has coordinates,has disorder","180442","2020-10-21","18:00:00",""
"7211186","9.845","0.0009","11.2012","0.001","12.2165","0.001","107.938","0.002","106.262","0.002","101.412","0.002","1169.37","0.18","147","2","147","2","","","","","","","","5","P -1","-P 1","2","p-HOPhO-BsubPc","(4-Hydroxyphenolato)(subphthalocyaninato)boron","","- C30 H17 B N6 O2 -","- C30 H17 B N6 O2 -","- C60 H34 B2 N12 O4 -","2","1","","Virdo, Jessica D.; Crandall, Laura; Dang, Jeremy D.; Fulford, Mabel V.; Lough, Alan J.; Durfee, William S.; Bender, Timothy P.","The influence of strong and weak hydrogen bonds on the solid state arrangement of hydroxy-containing boron subphthalocyanines","CrystEngComm","2013","15","42","8578","","10.1039/c3ce41412d","","","0.71073","MoKα","","0.0507","0.0388","","","0.093","0.1007","","","","","","1.036","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211187","26.2251","0.0013","11.7733","0.0007","12.0258","0.0006","90","","92.248","0.003","90","","3710.2","0.3","147","2","147","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","HO-BsubPc","(Hydroxo)(subphthalocyaninato)boron","","- C24 H13 B N6 O -","- C24 H13 B N6 O -","- C192 H104 B8 N48 O8 -","8","1","","Virdo, Jessica D.; Crandall, Laura; Dang, Jeremy D.; Fulford, Mabel V.; Lough, Alan J.; Durfee, William S.; Bender, Timothy P.","The influence of strong and weak hydrogen bonds on the solid state arrangement of hydroxy-containing boron subphthalocyanines","CrystEngComm","2013","15","42","8578","","10.1039/c3ce41412d","","","1.54178","CuKα","","0.044","0.0387","","","0.0961","0.1003","","","","","","1.061","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211188","23.4583","0.0004","11.7386","0.0002","19.4923","0.0005","90","","120.188","0.001","90","","4639.6","0.17","150","1","150","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","o-HOPhO-BsubPc","(2-Hydroxyphenolato)(subphthalocyaninato)boron","","- C30 H17 B N6 O2 -","- C30 H17 B N6 O2 -","- C240 H136 B8 N48 O16 -","8","1","","Virdo, Jessica D.; Crandall, Laura; Dang, Jeremy D.; Fulford, Mabel V.; Lough, Alan J.; Durfee, William S.; Bender, Timothy P.","The influence of strong and weak hydrogen bonds on the solid state arrangement of hydroxy-containing boron subphthalocyanines","CrystEngComm","2013","15","42","8578","","10.1039/c3ce41412d","","","0.71073","MoKα","","0.0552","0.0387","","","0.089","0.0969","","","","","","1.022","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211189","19.6105","0.0009","18.635","0.0007","16.3206","0.0005","90","","93.94","0.002","90","","5950.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H56 Cd2 N6 O12 -","- C64 H56 Cd2 N6 O12 -","- C256 H224 Cd8 N24 O48 -","4","1","","Bu, Yang; Jiang, Feilong; Zhou, Kang; Li, Xingjun; Zhang, Linjie; Gai, Yanli; Hong, Maochun","Structural evolution via modifying (6,3) layer: from inclined polycatenation to parallel polyrotaxane-like interpenetration","CrystEngComm","2013","15","42","8426","","10.1039/c3ce41417e","","","0.71073","MoKα","","0.0518","0.0431","","","0.1093","0.1311","","","","","","1","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211190","8.6267","0.0008","11.9716","0.0016","12.8657","0.0013","105.11","0.005","91.309","0.005","99.975","0.005","1260.1","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H20 Co N2 O6 S -","- C26 H20 Co N2 O6 S -","- C52 H40 Co2 N4 O12 S2 -","2","1","","Bu, Yang; Jiang, Feilong; Zhou, Kang; Li, Xingjun; Zhang, Linjie; Gai, Yanli; Hong, Maochun","Structural evolution via modifying (6,3) layer: from inclined polycatenation to parallel polyrotaxane-like interpenetration","CrystEngComm","2013","15","42","8426","","10.1039/c3ce41417e","","","0.71073","MoKα","","0.0967","0.0732","","","0.1931","0.242","","","","","","1.001","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211191","7.94506","0.0001","9.93697","0.00012","45.0334","0.0005","90","","90","","90","","3555.38","0.07","291","2","291.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H24 Cu3 N9 S6 -","- C30 H24 Cu3 N9 S6 -","- C120 H96 Cu12 N36 S24 -","4","1","","Li, Li; Zhu, Lu; Yue, Zhong-Cheng; Zhang, Wen-Li; Zhang, Bing; Niu, Yun-Yin; Hou, Hong-Wei","Three unprecedent polycational templated cuprous thiocyanate networks: synthesis, structure, and properties","CrystEngComm","2013","15","42","8395","","10.1039/c3ce41430b","","","1.5418","CuKα","","0.0473","0.0387","","","0.0857","0.0904","","","","","","1.048","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211192","9.6275","0.0002","9.2206","0.0002","19.3389","0.0004","90","","91.532","0.002","90","","1716.13","0.06","291","2","291.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H30 Cu2 N8 S5 -","- C32 H30 Cu2 N8 S5 -","- C64 H60 Cu4 N16 S10 -","2","1","","Li, Li; Zhu, Lu; Yue, Zhong-Cheng; Zhang, Wen-Li; Zhang, Bing; Niu, Yun-Yin; Hou, Hong-Wei","Three unprecedent polycational templated cuprous thiocyanate networks: synthesis, structure, and properties","CrystEngComm","2013","15","42","8395","","10.1039/c3ce41430b","","","0.7107","MoKα","","0.0448","0.0344","","","0.0651","0.0691","","","","","","1.019","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211193","9.19","0.004","20.588","0.009","24.602","0.011","90","","90","","90","","4655","4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C76 H60 Cu8 N24 O0 S16 -","- C76 H60 Cu8 N24 S16 -","- C152 H120 Cu16 N48 S32 -","2","0.25","","Li, Li; Zhu, Lu; Yue, Zhong-Cheng; Zhang, Wen-Li; Zhang, Bing; Niu, Yun-Yin; Hou, Hong-Wei","Three unprecedent polycational templated cuprous thiocyanate networks: synthesis, structure, and properties","CrystEngComm","2013","15","42","8395","","10.1039/c3ce41430b","","","0.71073","MoKα","","0.1654","0.0593","","","0.0912","0.1229","","","","","","1.005","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211194","7.6604","0.0006","11.9068","0.0009","13.5985","0.001","98.88","0.001","96.962","0.002","106.219","0.001","1158.91","0.15","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H63 F4 I N2 O2 -","- C52 H63 F4 I N2 O2 -","- C52 H63 F4 I N2 O2 -","1","0.5","","Präsang, Carsten; McAllister, Linda J.; Whitwood, Adrian C.; Bruce, Duncan W.","1 : 1 and 2 : 1 co-crystals of alkoxystilbazoles with tetrafluoroiodobenzenes: halogen bonding, a rare Carene‒H⋯N hydrogen bond and unsymmetric iodine⋯pyridine interactions","CrystEngComm","2013","15","44","8947","","10.1039/c3ce41454j","","","0.71073","MoKα","","0.0392","0.0344","","","0.0882","0.0908","","","","","","1.04","","","","has coordinates,has disorder","180442","2020-10-21","18:00:00",""
"7211195","7.578","0.0006","13.9976","0.0011","20.0546","0.0016","110.067","0.002","90.141","0.002","103.225","0.002","1937.5","0.3","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H47 F4 I N2 O2 -","- C44 H47 F4 I N2 O2 -","- C88 H94 F8 I2 N4 O4 -","2","1","","Präsang, Carsten; McAllister, Linda J.; Whitwood, Adrian C.; Bruce, Duncan W.","1 : 1 and 2 : 1 co-crystals of alkoxystilbazoles with tetrafluoroiodobenzenes: halogen bonding, a rare Carene‒H⋯N hydrogen bond and unsymmetric iodine⋯pyridine interactions","CrystEngComm","2013","15","44","8947","","10.1039/c3ce41454j","","","0.71073","MoKα","","0.0614","0.0407","","","0.089","0.1002","","","","","","1.023","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211196","4.7732","0.0006","9.5951","0.0013","23.78","0.003","88.044","0.002","89.076","0.002","76.708","0.002","1059.3","0.2","110","2","110","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H20 F4 I N O -","- C23 H20 F4 I N O -","- C46 H40 F8 I2 N2 O2 -","2","1","","Präsang, Carsten; McAllister, Linda J.; Whitwood, Adrian C.; Bruce, Duncan W.","1 : 1 and 2 : 1 co-crystals of alkoxystilbazoles with tetrafluoroiodobenzenes: halogen bonding, a rare Carene‒H⋯N hydrogen bond and unsymmetric iodine⋯pyridine interactions","CrystEngComm","2013","15","44","8947","","10.1039/c3ce41454j","","","0.71073","MoKα","","0.0469","0.0377","","","0.0844","0.0922","","","","","","1.119","","","","has coordinates,has disorder","180442","2020-10-21","18:00:00",""
"7211197","6.1484","0.0004","12.8888","0.0009","14.8433","0.001","97.495","0.001","96.075","0.001","90.147","0.001","1159.51","0.14","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H24 F4 I N O -","- C25 H24 F4 I N O -","- C50 H48 F8 I2 N2 O2 -","2","1","","Präsang, Carsten; McAllister, Linda J.; Whitwood, Adrian C.; Bruce, Duncan W.","1 : 1 and 2 : 1 co-crystals of alkoxystilbazoles with tetrafluoroiodobenzenes: halogen bonding, a rare Carene‒H⋯N hydrogen bond and unsymmetric iodine⋯pyridine interactions","CrystEngComm","2013","15","44","8947","","10.1039/c3ce41454j","","","0.71073","MoKα","","0.0356","0.0316","","","0.0715","0.0735","","","","","","1.104","","","","has coordinates,has disorder","180442","2020-10-21","18:00:00",""
"7211198","8.8395","0.0005","12.9338","0.0007","20.8991","0.0011","90","","101.784","0.001","90","","2339","0.2","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 F4 I N O -","- C25 H24 F4 I N O -","- C100 H96 F16 I4 N4 O4 -","4","1","","Präsang, Carsten; McAllister, Linda J.; Whitwood, Adrian C.; Bruce, Duncan W.","1 : 1 and 2 : 1 co-crystals of alkoxystilbazoles with tetrafluoroiodobenzenes: halogen bonding, a rare Carene‒H⋯N hydrogen bond and unsymmetric iodine⋯pyridine interactions","CrystEngComm","2013","15","44","8947","","10.1039/c3ce41454j","","","0.71073","MoKα","","0.0236","0.0211","","","0.0542","0.0556","","","","","","1.048","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211199","5.4342","0.0002","11.9349","0.0004","19.0791","0.0005","94.229","0.002","94.338","0.003","95.863","0.003","1223.26","0.07","110","0.1","110","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C27 H28 F4 I N O -","- C27 H28 F4 I N O -","- C54 H56 F8 I2 N2 O2 -","2","1","","Präsang, Carsten; McAllister, Linda J.; Whitwood, Adrian C.; Bruce, Duncan W.","1 : 1 and 2 : 1 co-crystals of alkoxystilbazoles with tetrafluoroiodobenzenes: halogen bonding, a rare Carene‒H⋯N hydrogen bond and unsymmetric iodine⋯pyridine interactions","CrystEngComm","2013","15","44","8947","","10.1039/c3ce41454j","","","0.7107","MoKα","","0.0388","0.0326","","","0.0729","0.077","","","","","","1.067","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211200","5.4791","0.00012","13.3643","0.0002","18.9794","0.0003","107.316","0.0015","94.6772","0.0017","92.7169","0.0016","1318.59","0.04","110","0.1","110","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C29 H32 F4 I N O -","- C29 H32 F4 I N O -","- C58 H64 F8 I2 N2 O2 -","2","1","","Präsang, Carsten; McAllister, Linda J.; Whitwood, Adrian C.; Bruce, Duncan W.","1 : 1 and 2 : 1 co-crystals of alkoxystilbazoles with tetrafluoroiodobenzenes: halogen bonding, a rare Carene‒H⋯N hydrogen bond and unsymmetric iodine⋯pyridine interactions","CrystEngComm","2013","15","44","8947","","10.1039/c3ce41454j","","","0.7107","MoKα","","0.0297","0.0254","","","0.0559","0.0577","","","","","","1.068","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211201","7.6705","0.0002","11.9764","0.0005","13.1845","0.0005","67.842","0.004","87.532","0.003","72.143","0.003","1064.08","0.08","109.95","0.1","109.95","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C48 H55 F4 I N2 O2 -","- C48 H55 F4 I N2 O2 -","- C48 H55 F4 I N2 O2 -","1","0.5","","Präsang, Carsten; McAllister, Linda J.; Whitwood, Adrian C.; Bruce, Duncan W.","1 : 1 and 2 : 1 co-crystals of alkoxystilbazoles with tetrafluoroiodobenzenes: halogen bonding, a rare Carene‒H⋯N hydrogen bond and unsymmetric iodine⋯pyridine interactions","CrystEngComm","2013","15","44","8947","","10.1039/c3ce41454j","","","0.7107","MoKα","","0.0496","0.0389","","","0.0803","0.0859","","","","","","1.033","","","","has coordinates,has disorder","180443","2020-10-21","18:00:00",""
"7211202","7.5755","0.0004","7.3774","0.0004","12.0168","0.0006","90","","102.173","0.003","90","","656.49","0.06","110","","110","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C3 Br2 D6 O -","- C3 Br2 D6 O -","- C12 Br8 D24 O4 -","4","0.5","","Jones, R. H.; Knight, K. S.; Marshall, W. G.; Coles, S. J.; Horton, P. N.; Pitak, M. B.","The competition between halogen bonds (Br⋯O) and C‒H⋯O hydrogen bonds: the structure of the acetone‒bromine complex revisited","CrystEngComm","2013","15","42","8572","","10.1039/c3ce41472h","","","0.71073","MoKα","","0.0353","0.0309","","0.0788","0.0743","0.0726","","","","","","1.0035","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211203","7.6349","0.0005","7.4263","0.0006","12.1724","0.0008","90","","102.788","0.004","90","","673.04","0.08","200","","200","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C3 Br2 D6 O -","- C3 Br2 D6 O -","- C12 Br8 D24 O4 -","4","0.5","","Jones, R. H.; Knight, K. S.; Marshall, W. G.; Coles, S. J.; Horton, P. N.; Pitak, M. B.","The competition between halogen bonds (Br⋯O) and C‒H⋯O hydrogen bonds: the structure of the acetone‒bromine complex revisited","CrystEngComm","2013","15","42","8572","","10.1039/c3ce41472h","","","0.71073","MoKα","","0.0623","0.0562","","0.1507","0.1391","0.1374","","","","","","1.0975","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211204","7.58233","0.00011","7.37528","0.00009","12.04151","0.00016","90","","102.263","0.0006","90","","658.019","0.015","110","","110","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C3 Br2 D6 O -","- C3 Br2 D6 O -","- C12 Br8 D24 O4 -","4","0.5","","Jones, R. H.; Knight, K. S.; Marshall, W. G.; Coles, S. J.; Horton, P. N.; Pitak, M. B.","The competition between halogen bonds (Br⋯O) and C‒H⋯O hydrogen bonds: the structure of the acetone‒bromine complex revisited","CrystEngComm","2013","15","42","8572","","10.1039/c3ce41472h","powder diffraction","neutron","","neutron","","","","","","","","0.17965","","3.53","","","","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211205","9.45","0.0019","19.88","0.004","13.513","0.004","90","","127.38","0.019","90","","2017.3","1","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 Cl N3 O5 Zn -","- C22 H15 Cl N3 O5 Zn -","- C88 H60 Cl4 N12 O20 Zn4 -","4","1","","Fan, Mengchan; Yao, Zhenguo; Li, Chen; Xia, Yu; Zhang, Qi; Dai, Jingcao; Fu, Zhiyong","A stimuli-responsive zinc-based chain framework constructed via metal‒ligand directed assembly","CrystEngComm","2013","15","42","8408","","10.1039/c3ce41497c","","","0.71073","MoKα","","0.0343","0.0328","","","0.0914","0.0926","","","","","","1.039","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211206","7.6033","0.0002","11.4827","0.0003","11.8705","0.0004","83.186","0.001","71.662","0.002","80.423","0.002","967.59","0.05","100","2","100","2","","","","","","","Isabelle Kirby","5","P -1","-P 1","2","","1,3-bis(4-nitrophenyl)urea with tetramethylammonium chloride","","- C17 H22 Cl N5 O5 -","- C17 H22 Cl N5 O5 -","- C34 H44 Cl2 N10 O10 -","2","1","","Kirby, Isabelle L.; Pitak, Mateusz B.; Wenzel, Marco; Wilson, Claire; Sparkes, Hazel A.; Coles, Simon J.; Gale, Philip A.","Systematic structural analysis of a series of anion receptor complexes","CrystEngComm","2013","15","44","9003","","10.1039/c3ce41503a","","","0.71073","MoKα","","0.071","0.038","","","","0.029","","","","","","1.396","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211207","7.797","0.002","11.214","0.003","12.211","0.003","91.753","0.005","104.56","0.007","95.232","0.013","1027.5","0.5","100","2","100","2","","","","","","","Isabelle Kirby","4","P -1","-P 1","2","","1,3-bis(4-nitrophenyl)urea with tetramethylammonium acetate","","- C19 H25 N5 O7 -","- C19 H25 N5 O7 -","- C38 H50 N10 O14 -","2","1","","Kirby, Isabelle L.; Pitak, Mateusz B.; Wenzel, Marco; Wilson, Claire; Sparkes, Hazel A.; Coles, Simon J.; Gale, Philip A.","Systematic structural analysis of a series of anion receptor complexes","CrystEngComm","2013","15","44","9003","","10.1039/c3ce41503a","","","0.71073","MoKα","","0.08","0.053","","","","0.061","","","","","","1.645","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211208","35.929","0.006","7.0153","0.0011","12.624","0.002","90","","90","","90","","3181.9","0.9","100","2","100","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","1,3-bis(4-nitrophenyl)urea with tetramethylammonium fluoride","","- C30 H32 F N9 O10 -","- C30 H32 F N9 O10 -","- C120 H128 F4 N36 O40 -","4","0.5","","Kirby, Isabelle L.; Pitak, Mateusz B.; Wenzel, Marco; Wilson, Claire; Sparkes, Hazel A.; Coles, Simon J.; Gale, Philip A.","Systematic structural analysis of a series of anion receptor complexes","CrystEngComm","2013","15","44","9003","","10.1039/c3ce41503a","","","0.6889","","","0.05","0.035","","","","0.047","","","","","","2.569","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211209","6.8211","0.0005","14.4139","0.0011","19.7918","0.0016","90","","90","","90","","1945.9","0.3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","1,3-bis(3-nitrophenyl)urea with tetramethylammonium chloride","","- C17 H22 Cl N5 O5 -","- C17 H22 Cl N5 O5 -","- C68 H88 Cl4 N20 O20 -","4","1","","Kirby, Isabelle L.; Pitak, Mateusz B.; Wenzel, Marco; Wilson, Claire; Sparkes, Hazel A.; Coles, Simon J.; Gale, Philip A.","Systematic structural analysis of a series of anion receptor complexes","CrystEngComm","2013","15","44","9003","","10.1039/c3ce41503a","","","0.4859","","","0.071","0.038","","","","0.038","","","","","","1.173","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211210","12.5269","0.0003","6.6896","0.0002","25.244","0.0009","90","","93.856","0.002","90","","2110.66","0.11","120","2","120","2","","","","","","","Isabelle Kirby","4","P 1 21/n 1","-P 2yn","14","1,3(3-nitro)phenylurea with tma oac","","","- C19 H25 N5 O7 -","- C19 H25 N5 O7 -","- C76 H100 N20 O28 -","4","1","","Kirby, Isabelle L.; Pitak, Mateusz B.; Wenzel, Marco; Wilson, Claire; Sparkes, Hazel A.; Coles, Simon J.; Gale, Philip A.","Systematic structural analysis of a series of anion receptor complexes","CrystEngComm","2013","15","44","9003","","10.1039/c3ce41503a","","","0.71073","MoKα","","0.1257","0.0605","","","0.1355","0.1634","","","","","","1.047","","","","has coordinates,has disorder","180443","2020-10-21","18:00:00",""
"7211211","9.602","0.003","10.807","0.003","12.433","0.004","109.859","0.005","96.598","0.003","103.537","0.0005","1152.7","0.6","100","","100","2","","","","","","","Isabelle Kirby","4","P -1","-P 1","2","","1,3-bis(3,5-dinitrophenyl)urea with tetramethylacetate","","- C19 H23 N7 O11 -","- C19 H23 N7 O11 -","- C38 H46 N14 O22 -","2","1","","Kirby, Isabelle L.; Pitak, Mateusz B.; Wenzel, Marco; Wilson, Claire; Sparkes, Hazel A.; Coles, Simon J.; Gale, Philip A.","Systematic structural analysis of a series of anion receptor complexes","CrystEngComm","2013","15","44","9003","","10.1039/c3ce41503a","","","0.6889","","","0.0471","0.0432","","","0.1179","0.1275","","","","","","1.076","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211212","21.8064","0.0019","4.6133","0.0003","12.5773","0.0011","90","","90","","90","","1265.27","0.18","120","2","120","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","1,3-bis(2-nitrophenyl)urea","","- C13 H10 N4 O5 -","- C13 H10 N4 O5 -","- C52 H40 N16 O20 -","4","1","","Kirby, Isabelle L.; Pitak, Mateusz B.; Wenzel, Marco; Wilson, Claire; Sparkes, Hazel A.; Coles, Simon J.; Gale, Philip A.","Systematic structural analysis of a series of anion receptor complexes","CrystEngComm","2013","15","44","9003","","10.1039/c3ce41503a","","","0.71073","MoKα","","0.0621","0.0541","","","0.1238","0.1303","","","","","","1.098","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211213","7.771","0.003","11.172","0.004","12.177","0.005","91.74","0.03","104.56","0.03","95.27","0.03","1017.3","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1,3-bis(4-nitrophenyl)urea with tetramethylammonium acetate","","- C19 H25 N5 O7 -","- C19 H25 N5 O7 -","- C38 H50 N10 O14 -","2","1","","Kirby, Isabelle L.; Pitak, Mateusz B.; Wenzel, Marco; Wilson, Claire; Sparkes, Hazel A.; Coles, Simon J.; Gale, Philip A.","Systematic structural analysis of a series of anion receptor complexes","CrystEngComm","2013","15","44","9003","","10.1039/c3ce41503a","","neutron","","neutron","","0.0978","0.0868","","","0.184","0.1944","","","","","","1.066","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211214","6.812","0.003","14.403","0.005","19.79","0.007","90","","90","","90","","1941.7","1.3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","1,3-bis(3-nitrophenyl)urea with tetramethylammonium chloride","","- C17 H22 Cl N5 O5 -","- C17 H22 Cl N5 O5 -","- C68 H88 Cl4 N20 O20 -","4","1","","Kirby, Isabelle L.; Pitak, Mateusz B.; Wenzel, Marco; Wilson, Claire; Sparkes, Hazel A.; Coles, Simon J.; Gale, Philip A.","Systematic structural analysis of a series of anion receptor complexes","CrystEngComm","2013","15","44","9003","","10.1039/c3ce41503a","","neutron","","neutron","","0.0695","0.0695","","","0.1783","0.1783","","","","","","1.049","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211215","24.152","0.005","8.23","0.0016","23.368","0.005","90","","115.92","0.03","90","","4177.6","1.8","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 N6 O2 -","- C24 H20 N6 O2 -","- C192 H160 N48 O16 -","8","1","","Stefankiewicz, Artur R.; Harrowfield, Jack; Madalan, Augustin M.; Lehn, Jean-Marie","Tuning the planarity of [2 ×2] grids","CrystEngComm","2013","15","44","9128","","10.1039/c3ce41510d","","","0.71073","MoKα","","0.1688","0.0698","","","0.1801","0.228","","","","","","0.958","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211216","7.6423","0.0004","29.0929","0.0017","11.6687","0.0004","90","","92.778","0.003","90","","2591.3","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H27 N7 O2 -","- C28 H27 N7 O2 -","- C112 H108 N28 O8 -","4","1","","Stefankiewicz, Artur R.; Harrowfield, Jack; Madalan, Augustin M.; Lehn, Jean-Marie","Tuning the planarity of [2 ×2] grids","CrystEngComm","2013","15","44","9128","","10.1039/c3ce41510d","","","0.71073","MoKα","","0.1971","0.068","","","0.1357","0.1798","","","","","","0.929","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211217","20.064","0.003","20.064","0.003","13.088","0.003","90","","90","","90","","5268.8","1.6","173","2","173","2","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C100 H80 B4 F16 Fe4 N26 O9 -","- C100 H72 B4 F16 Fe4 N26 O9 -","- C200 H144 B8 F32 Fe8 N52 O18 -","2","0.25","","Stefankiewicz, Artur R.; Harrowfield, Jack; Madalan, Augustin M.; Lehn, Jean-Marie","Tuning the planarity of [2 ×2] grids","CrystEngComm","2013","15","44","9128","","10.1039/c3ce41510d","","","0.71073","MoKα","","0.1164","0.089","","","0.2141","0.2278","","","","","","1.082","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211218","29.541","0.006","18.148","0.004","27.02","0.005","90","","90","","90","","14486","5","173","2","173","2","","","","","","","","7","P b a m","-P 2 2ab","55","","","","- C118 H103 F24 N31 O33 S8 Zn4 -","- C118 H80 F24 N31 O33 S8 Zn4 -","- C472 H320 F96 N124 O132 S32 Zn16 -","4","0.5","","Stefankiewicz, Artur R.; Harrowfield, Jack; Madalan, Augustin M.; Lehn, Jean-Marie","Tuning the planarity of [2 ×2] grids","CrystEngComm","2013","15","44","9128","","10.1039/c3ce41510d","","","0.71073","MoKα","","0.1333","0.0771","","","0.2242","0.2606","","","","","","1.052","","","","has coordinates,has disorder","180443","2020-10-21","18:00:00",""
"7211219","16.724","0.002","23.732","0.003","14.189","0.003","90","","90","","90","","5631.5","1.5","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C26 H26 Cd N4 O10 -","- C26 H26 Cd N4 O10 -","- C208 H208 Cd8 N32 O80 -","8","2","","McCormick, Laura J.; Turner, David R.","Inclined 1D→2D polycatenation of chiral chains with large π-surfaces","CrystEngComm","2013","15","41","8234","","10.1039/c3ce41538d","","","0.71073","MoKα","","0.0337","0.0331","","","0.0876","0.0899","","","","","","1.096","","","","has coordinates,has disorder","180443","2020-10-21","18:00:00",""
"7211220","10.184","0.001","24.895","0.003","10.777","0.002","90","","90","","90","","2732.3","0.7","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 Br F4 Li N4 O4 -","- C20 H28 Br F4 Li N4 O4 -","- C80 H112 Br4 F16 Li4 N16 O16 -","4","1","","Wouters, Johan; Grepioni, Fabrizia; Braga, Dario; Kaminski, Rafal M.; Rome, Sandrine; Aerts, Luc; Quéré, Luc","Novel pharmaceutical compositions through co-crystallization of racetams and Li+ salts","CrystEngComm","2013","15","44","8898","","10.1039/c3ce41539b","","","1.54178","CuKα","","0.1071","0.0486","","","0.1171","0.144","","","","","","1.013","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211221","6.197","0.004","8.635","0.002","28.79","0.009","90","","90","","90","","1540.6","1.2","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C10 H18 Cl F2 Li N2 O4 -","- C10 H6 Cl F2 Li N2 O4 -","- C40 H24 Cl4 F8 Li4 N8 O16 -","4","1","","Wouters, Johan; Grepioni, Fabrizia; Braga, Dario; Kaminski, Rafal M.; Rome, Sandrine; Aerts, Luc; Quéré, Luc","Novel pharmaceutical compositions through co-crystallization of racetams and Li+ salts","CrystEngComm","2013","15","44","8898","","10.1039/c3ce41539b","","","1.54178","CuKα","","0.0395","0.0386","","","0.1069","0.1081","","","","","","1.09","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211222","10.408","0.002","25.175","0.003","10.745","0.002","90","","90","","90","","2815.4","0.8","293","2","293","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C22 H40 Br Li N4 O4 -","- C19.84 H4 Br Li N4 O4 -","- C79.36 H16 Br4 Li4 N16 O16 -","4","0.5","","Wouters, Johan; Grepioni, Fabrizia; Braga, Dario; Kaminski, Rafal M.; Rome, Sandrine; Aerts, Luc; Quéré, Luc","Novel pharmaceutical compositions through co-crystallization of racetams and Li+ salts","CrystEngComm","2013","15","44","8898","","10.1039/c3ce41539b","","","1.54178","CuKα","","0.0696","0.0463","","","0.1184","0.1325","","","","","","1.039","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7211223","10.8762","0.0002","10.9064","0.0002","12.251","0.0002","75.952","0.001","76.275","0.001","78.378","0.001","1353.45","0.04","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H16 Au Eu N10 O6 -","- C23 H16 Au Eu N10 O6 -","- C46 H32 Au2 Eu2 N20 O12 -","2","1","","Thompson, John R.; Roberts, Ryan J.; Williams, Vance E.; Leznoff, Daniel B.","Birefringent, emissive coordination polymers incorporating bis(benzimidazole)pyridine as an anisotropic building block","CrystEngComm","2013","15","45","9387","","10.1039/c3ce41556b","","","0.71073","MoKα","","0.0383","0.0274","","0.0247","0.0194","0.0192","","","","","","1.1411","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211224","10.8442","0.0002","10.8853","0.0002","12.2574","0.0003","75.733","0.001","76.437","0.001","78.82","0.001","1348.86","0.05","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H16 Au N10 O6 Tb -","- C23 H16 Au N10 O6 Tb -","- C46 H32 Au2 N20 O12 Tb2 -","2","1","","Thompson, John R.; Roberts, Ryan J.; Williams, Vance E.; Leznoff, Daniel B.","Birefringent, emissive coordination polymers incorporating bis(benzimidazole)pyridine as an anisotropic building block","CrystEngComm","2013","15","45","9387","","10.1039/c3ce41556b","","","0.71073","MoKα","","0.0413","0.0293","","0.0278","0.0233","0.0228","","","","","","1.1422","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211225","10.847","0.002","10.8781","0.0019","12.255","0.002","75.675","0.01","76.336","0.009","78.43","0.01","1345.8","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H16 Au Gd N10 O6 -","- C23 H16 Au Gd N10 O6 -","- C46 H32 Au2 Gd2 N20 O12 -","2","1","","Thompson, John R.; Roberts, Ryan J.; Williams, Vance E.; Leznoff, Daniel B.","Birefringent, emissive coordination polymers incorporating bis(benzimidazole)pyridine as an anisotropic building block","CrystEngComm","2013","15","45","9387","","10.1039/c3ce41556b","","","0.71073","MoKα","","0.0254","0.0203","","0.0164","0.0152","0.0151","","","","","","1.1238","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211226","15.3869","0.0003","17.6799","0.0003","18.9791","0.0004","90","","90","","90","","5163.05","0.17","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C48 H32 Au3 Eu N18 -","- C48 H32 Au3 Eu N18 -","- C192 H128 Au12 Eu4 N72 -","4","1","","Thompson, John R.; Roberts, Ryan J.; Williams, Vance E.; Leznoff, Daniel B.","Birefringent, emissive coordination polymers incorporating bis(benzimidazole)pyridine as an anisotropic building block","CrystEngComm","2013","15","45","9387","","10.1039/c3ce41556b","","","0.71073","MoKα","","0.0403","0.0303","","","0.0561","0.0599","","","","","","0.9","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211227","15.366","0.002","17.645","0.002","18.959","0.003","90","","90","","90","","5140.4","1.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C48 H32 Au3 Gd N18 -","- C48 H29 Au3 Gd N18 -","- C192 H116 Au12 Gd4 N72 -","4","1","","Thompson, John R.; Roberts, Ryan J.; Williams, Vance E.; Leznoff, Daniel B.","Birefringent, emissive coordination polymers incorporating bis(benzimidazole)pyridine as an anisotropic building block","CrystEngComm","2013","15","45","9387","","10.1039/c3ce41556b","","","0.71073","MoKα","","0.0361","0.0278","","","0.051","0.0531","","","","","","0.973","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211228","14.0972","0.0011","8.2977","0.0008","15.9525","0.0014","90","","104.203","0.007","90","","1809","0.3","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Cl N5 O3 Pb -","- C14 H14 Cl N5 O3 Pb -","- C56 H56 Cl4 N20 O12 Pb4 -","4","1","","Hashemi, Lida; Morsali, Ali","Solid state structural transformation of 1D to intermediate 2D and then to 3D porous coordination polymer by anion replacement; new precursors for preparation of PbCl2, Pb3O2Cl2 and PbO nanoparticles","CrystEngComm","2013","15","44","8894","","10.1039/c3ce41566j","","","0.71073","MoKα","","0.107","0.0777","","","0.1703","0.1821","","","","","","1.111","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211229","12.805","0.001","4.0989","0.0003","16.246","0.001","90","","96.729","0.001","90","","846.82","0.1","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C14 H14 Cl2 N4 Pb -","- C14 H14 Cl2 N4 Pb -","- C28 H28 Cl4 N8 Pb2 -","2","0.5","","Hashemi, Lida; Morsali, Ali","Solid state structural transformation of 1D to intermediate 2D and then to 3D porous coordination polymer by anion replacement; new precursors for preparation of PbCl2, Pb3O2Cl2 and PbO nanoparticles","CrystEngComm","2013","15","44","8894","","10.1039/c3ce41566j","","","0.71073","MoKα","","0.0157","0.0155","","","0.0388","0.0389","","","","","","1.06","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211230","11.4008","0.0014","9.6644","0.0011","16.7665","0.0019","90","","96.393","0.003","90","","1835.9","0.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 Cl Cu O2 S2 -","- C18 H20 Cl Cu O2 S2 -","- C72 H80 Cl4 Cu4 O8 S8 -","4","1","","Kim, Seulgi; Lee, Eunji; Park, Ki-Min; Lee, Shim Sung","Exocyclic coordination chemistry of an O2S2-macrocycle with copper(i), mercury(ii) and palladium(ii) ions","CrystEngComm","2013","15","42","8544","","10.1039/c3ce41573b","","","0.71073","MoKα","","0.0922","0.0429","","","0.1011","0.1365","","","","","","1.016","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211231","19.6238","0.0008","9.2933","0.0004","22.3113","0.0009","90","","114.138","0.002","90","","3713.1","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 Br2 Cu2 O4 S4 -","- C36 H40 Br2 Cu2 O4 S4 -","- C144 H160 Br8 Cu8 O16 S16 -","4","1","","Kim, Seulgi; Lee, Eunji; Park, Ki-Min; Lee, Shim Sung","Exocyclic coordination chemistry of an O2S2-macrocycle with copper(i), mercury(ii) and palladium(ii) ions","CrystEngComm","2013","15","42","8544","","10.1039/c3ce41573b","","","0.71073","MoKα","","0.0949","0.0441","","","0.0986","0.1281","","","","","","0.855","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211232","11.814","0.012","14.973","0.015","11.418","0.012","90","","105.401","0.019","90","","1947","3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 Cu N O2 S3 -","- C19 H20 Cu N O2 S3 -","- C76 H80 Cu4 N4 O8 S12 -","4","1","","Kim, Seulgi; Lee, Eunji; Park, Ki-Min; Lee, Shim Sung","Exocyclic coordination chemistry of an O2S2-macrocycle with copper(i), mercury(ii) and palladium(ii) ions","CrystEngComm","2013","15","42","8544","","10.1039/c3ce41573b","","","0.71073","MoKα","","0.1484","0.0898","","","0.1817","0.1996","","","","","","1.043","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211233","12.9194","0.0005","19.501","0.0006","8.3487","0.0003","90","","93.55","0.002","90","","2099.35","0.13","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Br2 Hg O2 S2 -","- C18 H20 Br2 Hg O2 S2 -","- C72 H80 Br8 Hg4 O8 S8 -","4","1","","Kim, Seulgi; Lee, Eunji; Park, Ki-Min; Lee, Shim Sung","Exocyclic coordination chemistry of an O2S2-macrocycle with copper(i), mercury(ii) and palladium(ii) ions","CrystEngComm","2013","15","42","8544","","10.1039/c3ce41573b","","","0.71073","MoKα","","0.054","0.0364","","","0.0724","0.0785","","","","","","1.017","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211234","12.9144","0.0003","8.0371","0.0002","25.7905","0.0006","90","","100.243","0.001","90","","2634.24","0.11","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Hg2 I4 O2 S2 -","- C18 H20 Hg2 I4 O2 S2 -","- C72 H80 Hg8 I16 O8 S8 -","4","1","","Kim, Seulgi; Lee, Eunji; Park, Ki-Min; Lee, Shim Sung","Exocyclic coordination chemistry of an O2S2-macrocycle with copper(i), mercury(ii) and palladium(ii) ions","CrystEngComm","2013","15","42","8544","","10.1039/c3ce41573b","","","0.71073","MoKα","","0.095","0.0788","","","0.1988","0.2137","","","","","","1.039","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211235","8.8401","0.0002","9.9305","0.0002","12.666","0.0003","80.608","0.001","73.482","0.001","80.915","0.001","1044.39","0.04","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H20 N2 O8 Pd S2 -","- C18 H20 N2 O8 Pd S2 -","- C36 H40 N4 O16 Pd2 S4 -","2","1","","Kim, Seulgi; Lee, Eunji; Park, Ki-Min; Lee, Shim Sung","Exocyclic coordination chemistry of an O2S2-macrocycle with copper(i), mercury(ii) and palladium(ii) ions","CrystEngComm","2013","15","42","8544","","10.1039/c3ce41573b","","","0.71073","MoKα","","0.0267","0.0241","","","0.0581","0.0601","","","","","","1.015","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211236","12.1618","0.0003","12.8043","0.0003","19.3631","0.0004","71.46","0.001","74.748","0.001","88.068","0.002","2753.99","0.11","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H40 N2 O10 Pd S4 -","- C36 H40 N2 O10 Pd S4 -","- C108 H120 N6 O30 Pd3 S12 -","3","1.5","","Kim, Seulgi; Lee, Eunji; Park, Ki-Min; Lee, Shim Sung","Exocyclic coordination chemistry of an O2S2-macrocycle with copper(i), mercury(ii) and palladium(ii) ions","CrystEngComm","2013","15","42","8544","","10.1039/c3ce41573b","","","0.71073","MoKα","","0.074","0.0458","","","0.0887","0.0995","","","","","","1.033","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211237","23.695","0.001","26.6618","0.001","7.2913","0.0005","90","","95.95","0.01","90","","4581.5","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H17 Bi Cl4 N4 O2 -","- C20 H17 Bi Cl4 N4 O2 -","- C160 H136 Bi8 Cl32 N32 O16 -","8","1","","Toma, Oksana; Mercier, Nicolas; Allain, Magali; Botta, Chiara","Protonated N-oxide-4,4′-bipyridine: from luminescent BiIII complexes to hybrids based on H-bonded dimers or H-bonded open 2D square supramolecular networks","CrystEngComm","2013","15","42","8565","","10.1039/c3ce41579a","","x-ray","0.71073","MoKα","","0.0999","0.0343","","","0.0441","0.0554","","","","","","1.018","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211238","18.8244","0.0008","9.7773","0.0002","16.519","0.0007","90","","94.968","0.005","90","","3028.93","0.19","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H9 Bi Cl4 N2 O -","- C10 H9 Bi Cl4 N2 O -","- C80 H72 Bi8 Cl32 N16 O8 -","8","1","","Toma, Oksana; Mercier, Nicolas; Allain, Magali; Botta, Chiara","Protonated N-oxide-4,4′-bipyridine: from luminescent BiIII complexes to hybrids based on H-bonded dimers or H-bonded open 2D square supramolecular networks","CrystEngComm","2013","15","42","8565","","10.1039/c3ce41579a","","x-ray","0.71073","MoKα","","0.1204","0.0446","","","0.0513","0.0626","","","","","","1.034","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211239","10.1031","0.0006","12.8928","0.0005","12.5741","0.001","90","","104.077","0.006","90","","1588.68","0.17","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 Bi2 Br8 N4 O2 -","- C20 H18 Bi2 Br8 N4 O2 -","- C40 H36 Bi4 Br16 N8 O4 -","2","0.5","","Toma, Oksana; Mercier, Nicolas; Allain, Magali; Botta, Chiara","Protonated N-oxide-4,4′-bipyridine: from luminescent BiIII complexes to hybrids based on H-bonded dimers or H-bonded open 2D square supramolecular networks","CrystEngComm","2013","15","42","8565","","10.1039/c3ce41579a","","x-ray","0.71073","MoKα","","0.0764","0.0375","","","0.0509","0.0583","","","","","","1.038","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211240","8.4049","0.0008","21.2014","0.0018","9.3965","0.0006","90","","107.241","0.005","90","","1599.2","0.2","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C10 H9 Bi Br4 N2 O -","- C10 H9 Bi Br4 N2 O -","- C40 H36 Bi4 Br16 N8 O4 -","4","1","","Toma, Oksana; Mercier, Nicolas; Allain, Magali; Botta, Chiara","Protonated N-oxide-4,4′-bipyridine: from luminescent BiIII complexes to hybrids based on H-bonded dimers or H-bonded open 2D square supramolecular networks","CrystEngComm","2013","15","42","8565","","10.1039/c3ce41579a","","","0.71073","MoKα","","0.1326","0.0517","","","0.0973","0.1205","","","","","","1.008","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211241","19.2567","0.0008","13.3429","0.0005","12.3084","0.0007","90","","107.434","0.003","90","","3017.2","0.2","293","2","293","2","","","","","","","synthesis as described","7","C 1 2/c 1","-C 2yc","15","","","","- C22 H25 Bi Cl6 N4 O3 S -","- C22 H25 Bi Cl6 N4 O3 S -","- C88 H100 Bi4 Cl24 N16 O12 S4 -","4","0.5","","Toma, Oksana; Mercier, Nicolas; Allain, Magali; Botta, Chiara","Protonated N-oxide-4,4′-bipyridine: from luminescent BiIII complexes to hybrids based on H-bonded dimers or H-bonded open 2D square supramolecular networks","CrystEngComm","2013","15","42","8565","","10.1039/c3ce41579a","","x-ray","0.71073","MoKα","","0.1143","0.0355","","","0.05","0.0607","","","","","","0.966","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211242","10.1639","0.0004","16.0423","0.0006","16.2284","0.0006","90","","102.593","0.001","90","","2582.42","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H20 N2 O6 Zn -","- C30 H20 N2 O6 Zn -","- C120 H80 N8 O24 Zn4 -","4","1","","Guo, Xianmin; Guo, Huadong; Zou, Hengye; Qi, Yanjuan; Chen, Ruizhan","Five new coordination polymers based on a semi-rigid dicarboxylic acid and versatile N-donor ligands: synthesis, characterization and properties","CrystEngComm","2013","15","44","9112","","10.1039/c3ce41623b","","","0.71073","MoKα","","0.043","0.0298","","","0.077","0.0828","","","","","","1.03","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211243","8.7642","0.0006","31.696","0.002","10.7597","0.0007","90","","110.882","0.001","90","","2792.6","0.3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C30 H28 N4 Ni O7 -","- C30 H26 N4 Ni O7 -","- C120 H104 N16 Ni4 O28 -","4","1","","Guo, Xianmin; Guo, Huadong; Zou, Hengye; Qi, Yanjuan; Chen, Ruizhan","Five new coordination polymers based on a semi-rigid dicarboxylic acid and versatile N-donor ligands: synthesis, characterization and properties","CrystEngComm","2013","15","44","9112","","10.1039/c3ce41623b","","","0.71073","MoKα","","0.0605","0.0505","","","0.1347","0.1442","","","","","","1.063","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211244","18.281","0.002","36.104","0.004","17.145","0.002","90","","90","","90","","11316","2","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C33 H26 N2 Ni O6 -","- C33 H26 N2 Ni O6 -","- C528 H416 N32 Ni16 O96 -","16","1","","Guo, Xianmin; Guo, Huadong; Zou, Hengye; Qi, Yanjuan; Chen, Ruizhan","Five new coordination polymers based on a semi-rigid dicarboxylic acid and versatile N-donor ligands: synthesis, characterization and properties","CrystEngComm","2013","15","44","9112","","10.1039/c3ce41623b","","","0.71073","MoKα","","0.1008","0.0489","","","0.0911","0.1078","","","","","","1.002","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211245","10.9446","0.0009","15.2526","0.0012","16.0944","0.0013","102.793","0.001","105.421","0.001","99.034","0.001","2458.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H42 Cd2 N4 O14 -","- C54 H38 Cd2 N4 O14 -","- C108 H76 Cd4 N8 O28 -","2","1","","Guo, Xianmin; Guo, Huadong; Zou, Hengye; Qi, Yanjuan; Chen, Ruizhan","Five new coordination polymers based on a semi-rigid dicarboxylic acid and versatile N-donor ligands: synthesis, characterization and properties","CrystEngComm","2013","15","44","9112","","10.1039/c3ce41623b","","","0.71073","MoKα","","0.074","0.0283","","","0.0739","0.0895","","","","","","0.859","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211246","11.0578","0.0005","11.4735","0.0005","28.3323","0.0012","94.696","0.001","90.345","0.001","95.797","0.001","3563.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H54 Mn3 N4 O19 -","- C84 H52 Mn3 N4 O19 -","- C168 H104 Mn6 N8 O38 -","2","1","","Guo, Xianmin; Guo, Huadong; Zou, Hengye; Qi, Yanjuan; Chen, Ruizhan","Five new coordination polymers based on a semi-rigid dicarboxylic acid and versatile N-donor ligands: synthesis, characterization and properties","CrystEngComm","2013","15","44","9112","","10.1039/c3ce41623b","","","0.71073","MoKα","","0.0629","0.0398","","","0.0991","0.1098","","","","","","1.047","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211247","9.3588","0.0013","12.8986","0.0018","13.0717","0.0019","90","","97.534","0.002","90","","1564.3","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H18 N2 O7 U -","- C13 H18 N2 O7 U -","- C52 H72 N8 O28 U4 -","4","1","","Cantos, Paula M.; Pope, Simon J. A.; Cahill, Christopher L.","An exploration of homo- and heterometallic UO22+ hybrid materials containing chelidamic acid: synthesis, structure, and luminescence studies","CrystEngComm","2013","15","44","9039","","10.1039/c3ce41655k","","","0.71073","MoKα","","0.0154","0.0137","","","0.0315","0.032","","","","","","1.084","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211248","28.995","0.003","32.585","0.004","9.3986","0.0011","90","","90","","90","","8879.8","1.8","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C14 H4 N2 O18 U2 -","- C14 H4 N2 O18 U2 -","- C224 H64 N32 O288 U32 -","16","1","","Cantos, Paula M.; Pope, Simon J. A.; Cahill, Christopher L.","An exploration of homo- and heterometallic UO22+ hybrid materials containing chelidamic acid: synthesis, structure, and luminescence studies","CrystEngComm","2013","15","44","9039","","10.1039/c3ce41655k","","","0.71073","MoKα","","0.0497","0.0432","","","0.1018","0.1045","","","","","","1.128","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211249","10.327","0.003","12.129","0.003","15.073","0.004","90","","106.288","0.008","90","","1812.2","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H2 N O13 U2 -","- C7 H2 N O13 U2 -","- C28 H8 N4 O52 U8 -","4","1","","Cantos, Paula M.; Pope, Simon J. A.; Cahill, Christopher L.","An exploration of homo- and heterometallic UO22+ hybrid materials containing chelidamic acid: synthesis, structure, and luminescence studies","CrystEngComm","2013","15","44","9039","","10.1039/c3ce41655k","","","0.71073","MoKα","","0.0524","0.0381","","","0.0977","0.1045","","","","","","0.963","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211250","10.0704","0.001","8.3162","0.0008","13.624","0.0013","90","","106.031","0.001","90","","1096.61","0.18","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H4 N2 O18 U3 -","- C14 H4 N2 O18 U3 -","- C28 H8 N4 O36 U6 -","2","0.5","","Cantos, Paula M.; Pope, Simon J. A.; Cahill, Christopher L.","An exploration of homo- and heterometallic UO22+ hybrid materials containing chelidamic acid: synthesis, structure, and luminescence studies","CrystEngComm","2013","15","44","9039","","10.1039/c3ce41655k","","","0.71073","MoKα","","0.0458","0.0306","","","0.0572","0.0622","","","","","","0.998","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211251","12.362","0.002","9.9067","0.0016","22.294","0.004","90","","98.383","0.002","90","","2701.1","0.8","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C28 H8 N5 O48 Sm7 U2 -","- C28 H8 N5 O48 Sm7 U2 -","- C56 H16 N10 O96 Sm14 U4 -","2","0.5","","Cantos, Paula M.; Pope, Simon J. A.; Cahill, Christopher L.","An exploration of homo- and heterometallic UO22+ hybrid materials containing chelidamic acid: synthesis, structure, and luminescence studies","CrystEngComm","2013","15","44","9039","","10.1039/c3ce41655k","","","0.71073","MoKα","","0.0566","0.0473","","","0.1012","0.1052","","","","","","1.045","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211252","8.8835","0.0008","9.2545","0.0008","28.075","0.003","90","","90","","90","","2308.1","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H4 Cl2 N2 O15 U2 -","- C14 H4 Cl2 N2 O15 U2 -","- C56 H16 Cl8 N8 O60 U8 -","4","1","","Cantos, Paula M.; Pope, Simon J. A.; Cahill, Christopher L.","An exploration of homo- and heterometallic UO22+ hybrid materials containing chelidamic acid: synthesis, structure, and luminescence studies","CrystEngComm","2013","15","44","9039","","10.1039/c3ce41655k","","","0.71073","MoKα","","0.0277","0.0253","","","0.0551","0.0559","","","","","","1.071","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211253","9.3706","0.0005","9.2284","0.0005","24.2878","0.0012","90","","92.128","0.001","90","","2098.85","0.19","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H6 Cl2 N2 O14 U2 -","- C14 H6 Cl2 N2 O14 U2 -","- C56 H24 Cl8 N8 O56 U8 -","4","1","","Cantos, Paula M.; Pope, Simon J. A.; Cahill, Christopher L.","An exploration of homo- and heterometallic UO22+ hybrid materials containing chelidamic acid: synthesis, structure, and luminescence studies","CrystEngComm","2013","15","44","9039","","10.1039/c3ce41655k","","","0.71073","MoKα","","0.0212","0.0196","","","0.0441","0.0445","","","","","","1.186","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211254","28.157","0.006","10.174","0.002","13.23","0.003","90","","91.302","0.003","90","","3789","1.4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H8 Cl4 N4 Na2 O24 U3 -","- C28 H8 Cl4 N4 Na2 O24 U3 -","- C112 H32 Cl16 N16 Na8 O96 U12 -","4","0.5","","Cantos, Paula M.; Pope, Simon J. A.; Cahill, Christopher L.","An exploration of homo- and heterometallic UO22+ hybrid materials containing chelidamic acid: synthesis, structure, and luminescence studies","CrystEngComm","2013","15","44","9039","","10.1039/c3ce41655k","","","0.71073","MoKα","","0.0467","0.0312","","","0.0678","0.0759","","","","","","0.831","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211255","33.4782","0.0019","9.1734","0.0005","17.5749","0.001","90","","90","","90","","5397.4","0.5","123","2","123","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C58 H74 N2 O14 -","- C58 H74 N2 O14 -","- C232 H296 N8 O56 -","4","0.5","","Sekiya, Ryo; Yamasaki, Yutaro; Katayama, Susumu; Shio, Hidemi; Haino, Takeharu","Head-to-tail polymeric columnar structure of calix[4]arene possessing catechol arms in the solid state","CrystEngComm","2013","15","42","8404","","10.1039/c3ce41660g","","x-ray","0.71073","MoKα","","0.058","0.0457","","","0.1154","0.1241","","","","","","1.052","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211256","34.399","0.004","9.4442","0.0011","17.646","0.002","90","","95.37","0.001","90","","5707.5","1.1","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C62 H82 N2 O14 -","- C62 H82 N2 O14 -","- C248 H328 N8 O56 -","4","0.5","","Sekiya, Ryo; Yamasaki, Yutaro; Katayama, Susumu; Shio, Hidemi; Haino, Takeharu","Head-to-tail polymeric columnar structure of calix[4]arene possessing catechol arms in the solid state","CrystEngComm","2013","15","42","8404","","10.1039/c3ce41660g","","x-ray","0.71073","MoKα","","0.0777","0.0459","","","0.1021","0.1172","","","","","","1.02","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211257","36.8591","0.0018","9.2839","0.0005","18.0544","0.0009","90","","90.634","0.001","90","","6177.8","0.5","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C66 H90 N2 O14 -","- C66 H90 N2 O14 -","- C264 H360 N8 O56 -","4","0.5","","Sekiya, Ryo; Yamasaki, Yutaro; Katayama, Susumu; Shio, Hidemi; Haino, Takeharu","Head-to-tail polymeric columnar structure of calix[4]arene possessing catechol arms in the solid state","CrystEngComm","2013","15","42","8404","","10.1039/c3ce41660g","","x-ray","0.71073","MoKα","","0.0743","0.0502","","","0.1152","0.1283","","","","","","1.034","","","","has coordinates,has disorder","180443","2020-10-21","18:00:00",""
"7211258","36.162","0.012","9.347","0.003","17.877","0.006","90","","112.125","0.004","90","","5598","3","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C62 H78 N2 O14 -","- C62 H78 N2 O14 -","- C248 H312 N8 O56 -","4","0.5","","Sekiya, Ryo; Yamasaki, Yutaro; Katayama, Susumu; Shio, Hidemi; Haino, Takeharu","Head-to-tail polymeric columnar structure of calix[4]arene possessing catechol arms in the solid state","CrystEngComm","2013","15","42","8404","","10.1039/c3ce41660g","","x-ray","0.71073","MoKα","","0.059","0.0438","","","0.1086","0.1173","","","","","","1.055","","","","has coordinates,has disorder","180443","2020-10-21","18:00:00",""
"7211259","8.8079","0.0004","12.2447","0.0004","12.525","0.0006","90","","90","","90","","1350.82","0.1","115","2","115","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 Ag Cl N O4 -","- C12 H15 Ag Cl N O4 -","- C48 H60 Ag4 Cl4 N4 O16 -","4","1","","Kelemu, Solomon W.; Steel, Peter J.","Diallylaminoarenes: a new class of versatile ligands for silver(i) that consistently lead to one-dimensional polymeric metallosupramolecular assemblies","CrystEngComm","2013","15","44","9064","","10.1039/c3ce41707g","","","0.71073","MoKα","","0.019","0.0181","","","0.0448","0.0451","","","","","","1.054","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211260","12.6852","0.0004","8.1924","0.0003","12.8192","0.0005","90","","99.738","0.002","90","","1313","0.08","114","2","114","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H14 Ag Cl N2 O4 -","- C11 H14 Ag Cl N2 O4 -","- C44 H56 Ag4 Cl4 N8 O16 -","4","1","","Kelemu, Solomon W.; Steel, Peter J.","Diallylaminoarenes: a new class of versatile ligands for silver(i) that consistently lead to one-dimensional polymeric metallosupramolecular assemblies","CrystEngComm","2013","15","44","9064","","10.1039/c3ce41707g","","","0.71073","MoKα","","0.0236","0.0216","","","0.0565","0.058","","","","","","1.105","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211261","15.3229","0.0009","21.2905","0.0011","8.0381","0.0004","90","","90","","90","","2622.3","0.2","114","2","114","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C20 H26 Ag2 Cl2 N6 O8 -","- C20 H26 Ag2 Cl2 N6 O8 -","- C80 H104 Ag8 Cl8 N24 O32 -","4","1","","Kelemu, Solomon W.; Steel, Peter J.","Diallylaminoarenes: a new class of versatile ligands for silver(i) that consistently lead to one-dimensional polymeric metallosupramolecular assemblies","CrystEngComm","2013","15","44","9064","","10.1039/c3ce41707g","","","0.71073","MoKα","","0.0832","0.0478","","","0.108","0.1199","","","","","","0.935","","","","has coordinates,has disorder","180443","2020-10-21","18:00:00",""
"7211262","11.6969","0.0003","12.974","0.0003","20.015","0.0005","90","","90","","90","","3037.39","0.13","114","2","114","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 Ag2 F6 N6 O7 S2 -","- C22 H28 Ag2 F6 N6 O7 S2 -","- C88 H112 Ag8 F24 N24 O28 S8 -","4","1","","Kelemu, Solomon W.; Steel, Peter J.","Diallylaminoarenes: a new class of versatile ligands for silver(i) that consistently lead to one-dimensional polymeric metallosupramolecular assemblies","CrystEngComm","2013","15","44","9064","","10.1039/c3ce41707g","","","0.71073","MoKα","","0.0237","0.021","","","0.0423","0.0431","","","","","","0.995","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211263","7.8652","0.0003","14.0587","0.0005","14.8864","0.0006","113.746","0.002","92.329","0.002","90.687","0.002","1504.73","0.1","117","2","117.15","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H24 Ag2 F6 N4 O6 S4 -","- C20 H24 Ag2 F6 N4 O6 S4 -","- C40 H48 Ag4 F12 N8 O12 S8 -","2","1","","Kelemu, Solomon W.; Steel, Peter J.","Diallylaminoarenes: a new class of versatile ligands for silver(i) that consistently lead to one-dimensional polymeric metallosupramolecular assemblies","CrystEngComm","2013","15","44","9064","","10.1039/c3ce41707g","","","0.71073","MoKα","","0.0578","0.0451","","","0.1241","0.1297","","","","","","1.25","","","","has coordinates,has disorder","180443","2020-10-21","18:00:00",""
"7211264","12.1378","0.0004","10.7654","0.0003","13.2121","0.0004","90","","111.584","0.002","90","","1605.35","0.09","116","2","116","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 Ag Cl N2 O4 -","- C15 H16 Ag Cl N2 O4 -","- C60 H64 Ag4 Cl4 N8 O16 -","4","1","","Kelemu, Solomon W.; Steel, Peter J.","Diallylaminoarenes: a new class of versatile ligands for silver(i) that consistently lead to one-dimensional polymeric metallosupramolecular assemblies","CrystEngComm","2013","15","44","9064","","10.1039/c3ce41707g","","","0.71073","MoKα","","0.0494","0.0362","","","0.1012","0.1068","","","","","","0.981","","","","has coordinates,has disorder","180443","2020-10-21","18:00:00",""
"7211265","10.9576","0.0004","12.0044","0.0004","12.122","0.0004","65.317","0.002","70.029","0.002","76.155","0.002","1352.96","0.08","114","2","114","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H28 Ag2 Cl3 N5 O10 -","- C18 H28 Ag2 Cl3 N5 O10 -","- C36 H56 Ag4 Cl6 N10 O20 -","2","1","","Kelemu, Solomon W.; Steel, Peter J.","Highly pyramidalised heteroaromatic nitrogens in discrete multinuclear silver(i) complexes assembled from bis- and tris-(diallylamino)azines","CrystEngComm","2013","15","44","9072","","10.1039/c3ce41708e","","","0.71073","MoKα","","0.0408","0.0313","","","0.0786","0.0818","","","","","","1.054","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211266","41.519","0.006","41.519","0.006","9.1478","0.0018","90","","90","","120","","13657","4","114","2","114","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C17 H20 Ag2 Cl F6 N5 O6 S2 -","- C17 H20 Ag2 Cl F6 N5 O6 S2 -","- C306 H360 Ag36 Cl18 F108 N90 O108 S36 -","18","1","","Kelemu, Solomon W.; Steel, Peter J.","Highly pyramidalised heteroaromatic nitrogens in discrete multinuclear silver(i) complexes assembled from bis- and tris-(diallylamino)azines","CrystEngComm","2013","15","44","9072","","10.1039/c3ce41708e","","","0.71073","MoKα","","0.0508","0.0453","","","0.1406","0.1463","","","","","","1.046","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211267","12.404","0.0004","22.1684","0.0008","23.4044","0.0008","90","","97.655","0.002","90","","6378.3","0.4","112","2","112","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H31 Ag2 F6 N5 O6 S2 -","- C24 H31 Ag2 F6 N5 O6 S2 -","- C192 H248 Ag16 F48 N40 O48 S16 -","8","2","","Kelemu, Solomon W.; Steel, Peter J.","Highly pyramidalised heteroaromatic nitrogens in discrete multinuclear silver(i) complexes assembled from bis- and tris-(diallylamino)azines","CrystEngComm","2013","15","44","9072","","10.1039/c3ce41708e","","","0.71073","MoKα","","0.0656","0.0474","","","0.1183","0.1307","","","","","","1.022","","","","has coordinates,has disorder","180443","2020-10-21","18:00:00",""
"7211268","10.4069","0.0002","13.8557","0.0004","37.5419","0.001","90","","90","","90","","5413.3","0.2","117","2","117","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H60 Ag4 Cl4 N12 O16 -","- C42 H60 Ag4 Cl4 N12 O16 -","- C168 H240 Ag16 Cl16 N48 O64 -","4","1","","Kelemu, Solomon W.; Steel, Peter J.","Highly pyramidalised heteroaromatic nitrogens in discrete multinuclear silver(i) complexes assembled from bis- and tris-(diallylamino)azines","CrystEngComm","2013","15","44","9072","","10.1039/c3ce41708e","","","0.71073","MoKα","","0.0411","0.037","","","0.0897","0.0919","","","","","","1.132","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211269","15.867","0.0007","12.8111","0.0005","18.0525","0.0008","90","","93.503","0.002","90","","3662.7","0.3","114","2","114","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 Ag3 F9 N6 O9 S3 -","- C24 H30 Ag3 F9 N6 O9 S3 -","- C96 H120 Ag12 F36 N24 O36 S12 -","4","1","","Kelemu, Solomon W.; Steel, Peter J.","Highly pyramidalised heteroaromatic nitrogens in discrete multinuclear silver(i) complexes assembled from bis- and tris-(diallylamino)azines","CrystEngComm","2013","15","44","9072","","10.1039/c3ce41708e","","","0.71073","MoKα","","0.0518","0.032","","","0.0636","0.0681","","","","","","0.977","","","","has coordinates,has disorder","180443","2020-10-21","18:00:00",""
"7211323","10.28","0.002","16.992","0.003","11.204","0.002","90","","97.87","0.03","90","","1938.7","0.6","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H42 Mo N14 O6 Pr -","- C26 H42 Mo N14 O6 Pr -","- C52 H84 Mo2 N28 O12 Pr2 -","2","1","","Tong, Yu-Zhang; Wang, Qing-Lun; Su, Cheng-Yun; Ma, Yue; Ren, Shi; Xu, Gong-Feng; Yang, Guang-Ming; Cheng, Peng; Liao, Dai-Zheng","Nine cyanide-bridged bimetallic magnetic chains derived from octacyanomolybdate(v) and lanthanide(iii) building blocks","CrystEngComm","2013","15","46","9906","","10.1039/c3ce41048j","","","0.71073","MoKα","","0.0554","0.0514","","","0.1275","0.1303","","","","","","1.074","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211324","10.257","0.002","16.936","0.003","11.176","0.002","90","","98.09","0.03","90","","1922.1","0.6","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H42 Mo N14 Nd O6 -","- C26 H42 Mo N14 Nd O6 -","- C52 H84 Mo2 N28 Nd2 O12 -","2","1","","Tong, Yu-Zhang; Wang, Qing-Lun; Su, Cheng-Yun; Ma, Yue; Ren, Shi; Xu, Gong-Feng; Yang, Guang-Ming; Cheng, Peng; Liao, Dai-Zheng","Nine cyanide-bridged bimetallic magnetic chains derived from octacyanomolybdate(v) and lanthanide(iii) building blocks","CrystEngComm","2013","15","46","9906","","10.1039/c3ce41048j","","","0.71073","MoKα","","0.0541","0.0481","","","0.102","0.1051","","","","","","1.006","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211325","16.68","0.003","11.19","0.002","21.33","0.004","90","","91.58","0.03","90","","3979.7","1.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H42 Mo N14 O6 Sm -","- C26 H42 Mo N14 O6 Sm -","- C104 H168 Mo4 N56 O24 Sm4 -","4","1","","Tong, Yu-Zhang; Wang, Qing-Lun; Su, Cheng-Yun; Ma, Yue; Ren, Shi; Xu, Gong-Feng; Yang, Guang-Ming; Cheng, Peng; Liao, Dai-Zheng","Nine cyanide-bridged bimetallic magnetic chains derived from octacyanomolybdate(v) and lanthanide(iii) building blocks","CrystEngComm","2013","15","46","9906","","10.1039/c3ce41048j","","","0.71073","MoKα","","0.1047","0.0834","","","0.2163","0.241","","","","","","0.924","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211326","16.5","0.003","11.084","0.002","21.108","0.004","90","","90.85","0.03","90","","3859.9","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H42 Eu Mo N14 O6 -","- C26 H42 Eu Mo N14 O6 -","- C104 H168 Eu4 Mo4 N56 O24 -","4","1","","Tong, Yu-Zhang; Wang, Qing-Lun; Su, Cheng-Yun; Ma, Yue; Ren, Shi; Xu, Gong-Feng; Yang, Guang-Ming; Cheng, Peng; Liao, Dai-Zheng","Nine cyanide-bridged bimetallic magnetic chains derived from octacyanomolybdate(v) and lanthanide(iii) building blocks","CrystEngComm","2013","15","46","9906","","10.1039/c3ce41048j","","","0.71073","MoKα","","0.0991","0.0764","","","0.1619","0.1743","","","","","","1.15","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211327","16.426","0.003","11.051","0.002","21.097","0.004","90","","91.17","0.03","90","","3828.8","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H42 Gd Mo N14 O6 -","- C26 H42 Gd Mo N14 O6 -","- C104 H168 Gd4 Mo4 N56 O24 -","4","1","","Tong, Yu-Zhang; Wang, Qing-Lun; Su, Cheng-Yun; Ma, Yue; Ren, Shi; Xu, Gong-Feng; Yang, Guang-Ming; Cheng, Peng; Liao, Dai-Zheng","Nine cyanide-bridged bimetallic magnetic chains derived from octacyanomolybdate(v) and lanthanide(iii) building blocks","CrystEngComm","2013","15","46","9906","","10.1039/c3ce41048j","","","0.71073","MoKα","","0.0753","0.0581","","","0.1567","0.1713","","","","","","1.076","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211328","16.396","0.003","10.996","0.002","21.194","0.004","90","","90.86","0.03","90","","3820.6","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H42 Ho Mo N14 O6 -","- C26 H42 Ho Mo N14 O6 -","- C104 H168 Ho4 Mo4 N56 O24 -","4","1","","Tong, Yu-Zhang; Wang, Qing-Lun; Su, Cheng-Yun; Ma, Yue; Ren, Shi; Xu, Gong-Feng; Yang, Guang-Ming; Cheng, Peng; Liao, Dai-Zheng","Nine cyanide-bridged bimetallic magnetic chains derived from octacyanomolybdate(v) and lanthanide(iii) building blocks","CrystEngComm","2013","15","46","9906","","10.1039/c3ce41048j","","","0.71073","MoKα","","0.0734","0.0595","","","0.1395","0.1522","","","","","","1.171","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211329","16.369","0.005","10.983","0.003","21.234","0.004","90","","91.124","0.014","90","","3816.7","1.7","566","2","566","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H42 Er Mo N14 O6 -","- C26 H42 Er Mo N14 O6 -","- C104 H168 Er4 Mo4 N56 O24 -","4","1","","Tong, Yu-Zhang; Wang, Qing-Lun; Su, Cheng-Yun; Ma, Yue; Ren, Shi; Xu, Gong-Feng; Yang, Guang-Ming; Cheng, Peng; Liao, Dai-Zheng","Nine cyanide-bridged bimetallic magnetic chains derived from octacyanomolybdate(v) and lanthanide(iii) building blocks","CrystEngComm","2013","15","46","9906","","10.1039/c3ce41048j","","","0.71073","MoKα","","0.1173","0.0933","","","0.2325","0.2534","","","","","","1.045","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211330","16.405","0.003","10.957","0.002","21.382","0.004","90","","91.21","0.03","90","","3842.5","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H42 Mo N14 O6 Tm -","- C26 H42 Mo N14 O6 Tm -","- C104 H168 Mo4 N56 O24 Tm4 -","4","1","","Tong, Yu-Zhang; Wang, Qing-Lun; Su, Cheng-Yun; Ma, Yue; Ren, Shi; Xu, Gong-Feng; Yang, Guang-Ming; Cheng, Peng; Liao, Dai-Zheng","Nine cyanide-bridged bimetallic magnetic chains derived from octacyanomolybdate(v) and lanthanide(iii) building blocks","CrystEngComm","2013","15","46","9906","","10.1039/c3ce41048j","","","0.71073","MoKα","","0.0917","0.0712","","","0.1652","0.1824","","","","","","1.19","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211331","16.344","0.003","10.96","0.002","21.261","0.004","90","","91","0.03","90","","3807.9","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H42 Mo N14 O6 Yb -","- C26 H42 Mo N14 O6 Yb -","- C104 H168 Mo4 N56 O24 Yb4 -","4","1","","Tong, Yu-Zhang; Wang, Qing-Lun; Su, Cheng-Yun; Ma, Yue; Ren, Shi; Xu, Gong-Feng; Yang, Guang-Ming; Cheng, Peng; Liao, Dai-Zheng","Nine cyanide-bridged bimetallic magnetic chains derived from octacyanomolybdate(v) and lanthanide(iii) building blocks","CrystEngComm","2013","15","46","9906","","10.1039/c3ce41048j","","","0.71073","MoKα","","0.1171","0.0752","","","0.1434","0.1627","","","","","","1.086","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211332","22.638","0.002","23.917","0.002","5.1656","0.0004","90","","90","","90","","2796.8","0.4","150","2","150","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C12 H14 Cu N4 O4 -","- C12 H14 Cu N4 O4 -","- C96 H112 Cu8 N32 O32 -","8","0.5","","Qi, Xiao-Lin; Zhang, Chi; Wang, Bao-Ying; Xue, Wei; He, Chun-Ting; Liu, Si-Yang; Zhang, Wei-Xiong; Chen, Xiao-Ming","Two new polar coordination polymers with diamond networks: interpenetration and thermal phase transition","CrystEngComm","2013","15","45","9530","","10.1039/c3ce41111g","","","0.71073","MoKα","","0.0335","0.0327","","","0.0806","0.0816","","","","","","1.051","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211333","10.9931","0.0005","10.9931","0.0005","18.085","0.0009","90","","90","","90","","2185.54","0.18","298","2","298","2","","","","","","","","5","P 41","P 4w","76","","","","- C16 H21 Cu2 N5 O5 -","- C16 H21 Cu2 N5 O5 -","- C64 H84 Cu8 N20 O20 -","4","1","","Qi, Xiao-Lin; Zhang, Chi; Wang, Bao-Ying; Xue, Wei; He, Chun-Ting; Liu, Si-Yang; Zhang, Wei-Xiong; Chen, Xiao-Ming","Two new polar coordination polymers with diamond networks: interpenetration and thermal phase transition","CrystEngComm","2013","15","45","9530","","10.1039/c3ce41111g","","","0.71073","MoKα","","0.0325","0.0316","","","0.0836","0.0849","","","","","","1.01","","","","has coordinates,has disorder","180444","2020-10-21","18:00:00",""
"7211334","10.9857","0.0008","10.9857","0.0008","9.1031","0.0009","90","","90","","90","","1098.61","0.16","438","2","438","2","","","","","","","","5","P 42 n m","P 4n -2n","102","","","","- C16 H21 Cu2 N5 O5 -","- C16 H21.004 Cu2 N5.002 O5 -","- C32 H42.008 Cu4 N10.004 O10 -","2","0.25","","Qi, Xiao-Lin; Zhang, Chi; Wang, Bao-Ying; Xue, Wei; He, Chun-Ting; Liu, Si-Yang; Zhang, Wei-Xiong; Chen, Xiao-Ming","Two new polar coordination polymers with diamond networks: interpenetration and thermal phase transition","CrystEngComm","2013","15","45","9530","","10.1039/c3ce41111g","","","0.71073","MoKα","","0.0273","0.0263","","","0.0677","0.0685","","","","","","1.025","","","","has coordinates,has disorder","180444","2020-10-21","18:00:00",""
"7211335","10.9932","0.0001","10.9932","0.0001","18.0928","0.0003","90","","90","","90","","2186.52","0.05","300","2","300","2","","","","","","","","5","P 43","P 4cw","78","","","","- C16 H21 Cu2 N5 O5 -","- C16 H21 Cu2 N5 O5 -","- C64 H84 Cu8 N20 O20 -","4","1","","Qi, Xiao-Lin; Zhang, Chi; Wang, Bao-Ying; Xue, Wei; He, Chun-Ting; Liu, Si-Yang; Zhang, Wei-Xiong; Chen, Xiao-Ming","Two new polar coordination polymers with diamond networks: interpenetration and thermal phase transition","CrystEngComm","2013","15","45","9530","","10.1039/c3ce41111g","","","1.54178","CuKα","","0.0423","0.0421","","","0.1028","0.1031","","","","","","1.054","","","","has coordinates,has disorder","180444","2020-10-21","18:00:00",""
"7211336","10.978","0.0003","10.978","0.0003","9.1059","0.0004","90","","90","","90","","1097.41","0.06","440","2","440","2","","","","","","","","5","P 42 n m","P 4n -2n","102","","","","- C16 H21 Cu2 N5 O5 -","- C16 H21.228 Cu2 N5 O5 -","- C32 H42.456 Cu4 N10 O10 -","2","0.25","","Qi, Xiao-Lin; Zhang, Chi; Wang, Bao-Ying; Xue, Wei; He, Chun-Ting; Liu, Si-Yang; Zhang, Wei-Xiong; Chen, Xiao-Ming","Two new polar coordination polymers with diamond networks: interpenetration and thermal phase transition","CrystEngComm","2013","15","45","9530","","10.1039/c3ce41111g","","","1.54178","CuKα","","0.0231","0.0229","","","0.0615","0.0617","","","","","","1.018","","","","has coordinates,has disorder","180444","2020-10-21","18:00:00",""
"7211337","10.9902","0.0001","10.9902","0.0001","18.094","0.003","90","","90","","90","","2185.5","0.4","298","2","298","2","","","","","","","","5","P 41","P 4w","76","","","","- C16 H21 Cu2 N5 O5 -","- C16 H21 Cu2 N5 O5 -","- C64 H84 Cu8 N20 O20 -","4","1","","Qi, Xiao-Lin; Zhang, Chi; Wang, Bao-Ying; Xue, Wei; He, Chun-Ting; Liu, Si-Yang; Zhang, Wei-Xiong; Chen, Xiao-Ming","Two new polar coordination polymers with diamond networks: interpenetration and thermal phase transition","CrystEngComm","2013","15","45","9530","","10.1039/c3ce41111g","","","1.54178","CuKα","","0.0294","0.0292","","","0.0807","0.0807","","","","","","1.023","","","","has coordinates,has disorder","180444","2020-10-21","18:00:00",""
"7211338","10.9855","0.0003","10.9855","0.0003","9.1106","0.0004","90","","90","","90","","1099.48","0.06","440","2","440","2","","","","","","","","5","P 42 n m","P 4n -2n","102","","","","- C16 H21 Cu2 N5 O5 -","- C16 H21.24 Cu2 N5 O5 -","- C32 H42.48 Cu4 N10 O10 -","2","0.25","","Qi, Xiao-Lin; Zhang, Chi; Wang, Bao-Ying; Xue, Wei; He, Chun-Ting; Liu, Si-Yang; Zhang, Wei-Xiong; Chen, Xiao-Ming","Two new polar coordination polymers with diamond networks: interpenetration and thermal phase transition","CrystEngComm","2013","15","45","9530","","10.1039/c3ce41111g","","","1.54178","CuKα","","0.0216","0.0214","","","0.0601","0.0602","","","","","","1.02","","","","has coordinates,has disorder","180444","2020-10-21","18:00:00",""
"7211339","8.7","0.0002","11.4517","0.0003","23.0491","0.0008","90","","90","","90","","2296.38","0.11","200","2","200","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C84 H86 N8 O43 Zn8 -","- C84 H86 N8 O43 Zn8 -","- C84 H86 N8 O43 Zn8 -","1","0.25","","Liu, Yen-Hsiang; Peng, Chia-Chien; Lee, Szu-Hsuan; Chien, Po-Hsiu; Wu, Pei-Chen","In situ resolved ligand chirality in preparing a chiral 3D zinc‒cyclopentane‒tetracarboxylate based coordination polymer","CrystEngComm","2013","15","47","10333","","10.1039/c3ce41143e","","x-ray","0.71073","MoKα","","0.1168","0.0596","","","0.1242","0.1482","","","","","","1.019","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211340","10.3022","0.0003","12.5187","0.0004","25.8195","0.0011","101.016","0.003","92.618","0.003","96.446","0.003","3240.2","0.2","291","2","291.15","","","","","","","","","5","P -1","-P 1","2","","","","- C72 H93.2 Mo24 N24 O82.6 -","- C72 H92 Mo24 N24 O82.6 -","- C72 H92 Mo24 N24 O82.6 -","1","0.5","","Yue, Zhong-Cheng; Shen, Li-Xia; Wu, Huan-Huan; Li, Xing-Hui; Niu, Yun-Yin","pH-dependent assembly of metal‒organic hybrid compounds based on octamolybdates and a new flexible multidentate ligand","CrystEngComm","2013","15","46","9938","","10.1039/c3ce41223g","","","0.7107","MoKα","","0.0645","0.0378","","","0.0623","0.0708","","","","","","1.017","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211341","9.651","0.0006","10.4093","0.0007","20.4141","0.0012","75.506","0.005","79.777","0.005","78.407","0.005","1927.5","0.2","291","2","291.15","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H48 Cu Mo16 N12 O56 -","- C36 H48 Cu Mo16 N12 O56 -","- C36 H48 Cu Mo16 N12 O56 -","1","0.5","","Yue, Zhong-Cheng; Shen, Li-Xia; Wu, Huan-Huan; Li, Xing-Hui; Niu, Yun-Yin","pH-dependent assembly of metal‒organic hybrid compounds based on octamolybdates and a new flexible multidentate ligand","CrystEngComm","2013","15","46","9938","","10.1039/c3ce41223g","","","0.7107","MoKα","","0.0448","0.0323","","","0.0669","0.073","","","","","","1.046","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211342","10.5513","0.0007","12.9013","0.0005","13.0406","0.0006","65.07","0.004","71.264","0.005","68.809","0.005","1470.67","0.15","291","2","291.15","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H46 Cu Mo8 N12 O30 -","- C36 H46 Cu Mo8 N12 O30 -","- C36 H46 Cu Mo8 N12 O30 -","1","0.5","","Yue, Zhong-Cheng; Shen, Li-Xia; Wu, Huan-Huan; Li, Xing-Hui; Niu, Yun-Yin","pH-dependent assembly of metal‒organic hybrid compounds based on octamolybdates and a new flexible multidentate ligand","CrystEngComm","2013","15","46","9938","","10.1039/c3ce41223g","","","0.7107","MoKα","","0.0489","0.0325","","","0.0496","0.0541","","","","","","1.018","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211343","11.4044","0.0006","22.5801","0.0008","11.8951","0.0006","90","","115.844","0.006","90","","2756.8","0.3","291","2","291.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H42 Cu2 Mo8 N12 O29 -","- C36 H36 Cu2 Mo8 N12 O29 -","- C72 H72 Cu4 Mo16 N24 O58 -","2","0.5","","Yue, Zhong-Cheng; Shen, Li-Xia; Wu, Huan-Huan; Li, Xing-Hui; Niu, Yun-Yin","pH-dependent assembly of metal‒organic hybrid compounds based on octamolybdates and a new flexible multidentate ligand","CrystEngComm","2013","15","46","9938","","10.1039/c3ce41223g","","","0.7107","MoKα","","0.0494","0.0355","","","0.0669","0.0715","","","","","","1.083","","","","has coordinates,has disorder","180444","2020-10-21","18:00:00",""
"7211344","9.6394","0.0004","10.3809","0.0004","20.3352","0.0008","104.412","0.004","95.009","0.003","101.078","0.003","1914.45","0.14","291","2","291.15","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H50 Co Mo16 N12 O56 -","- C36 H46 Co Mo16 N12 O56 -","- C36 H46 Co Mo16 N12 O56 -","1","0.5","","Yue, Zhong-Cheng; Shen, Li-Xia; Wu, Huan-Huan; Li, Xing-Hui; Niu, Yun-Yin","pH-dependent assembly of metal‒organic hybrid compounds based on octamolybdates and a new flexible multidentate ligand","CrystEngComm","2013","15","46","9938","","10.1039/c3ce41223g","","","0.7107","MoKα","","0.0384","0.0291","","","0.0633","0.0676","","","","","","1.04","","","","has coordinates,has disorder","180444","2020-10-21","18:00:00",""
"7211345","11.8441","0.0005","11.8441","0.0005","9.2064","0.0004","90","","90","","120","","1118.47","0.08","291","2","291.15","","","","","","","","","6","P -3","-P 3","147","","","","- C18 H24 Mo N6 O7 Zn -","- C18 H24 Mo N6 O7 Zn -","- C36 H48 Mo2 N12 O14 Zn2 -","2","0.333333","","Yue, Zhong-Cheng; Shen, Li-Xia; Wu, Huan-Huan; Li, Xing-Hui; Niu, Yun-Yin","pH-dependent assembly of metal‒organic hybrid compounds based on octamolybdates and a new flexible multidentate ligand","CrystEngComm","2013","15","46","9938","","10.1039/c3ce41223g","","","0.7107","MoKα","","0.0651","0.0489","","","0.1428","0.1576","","","","","","1.016","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211346","13.9824","0.0008","5.5774","0.0003","9.8671","0.0005","90","","90","","90","","769.49","0.07","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba O9 Te W2 -","- Ba O9 Te W2 -","- Ba4 O36 Te4 W8 -","4","0.5","","Zhang, Zhonghan; Tao, Xutang; Zhang, Junjie; Sun, Youxuan; Zhang, Chengqian; Li, Bo","Synthesis, crystal growth, and characterization of the orthorhombic BaTeW2O9: a new polymorph of BaTeW2O9","CrystEngComm","2013","15","47","10197","","10.1039/c3ce41272e","","","0.71073","MoKα","","0.0186","0.0175","","","0.0367","0.037","","","","","","1.268","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211347","5.832","0.001","13.649","0.002","13.79","0.002","90","","90","","90","","1097.7","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Ca(H2alend).H2O","","","- C4 H13 Ca N O8 P2 -","- C4 H11 Ca N O8 P2 -","- C16 H44 Ca4 N4 O32 P8 -","4","1","","Alvarez, Elsa; Marquez, Alfonso Garcia; Devic, Thomas; Steunou, Nathalie; Serre, Christian; Bonhomme, Christian; Gervais, Christel; Izquierdo-Barba, Isabel; Vallet-Regi, Maria; Laurencin, Danielle; Mauri, Francesco; Horcajada, Patricia","A biocompatible calcium bisphosphonate coordination polymer: towards a metal-linker synergistic therapeutic effect?","CrystEngComm","2013","15","46","9899","","10.1039/c3ce41346b","","","0.71073","MoKα","","0.1139","0.094","","","0.235","0.2476","","","","","","1.115","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211348","3.848","0.006","11.006","0.009","26.045","0.008","99.47","0.03","90","","90","","1088","1.9","150","2","150","2","","","","","","","","4","P 21/b 1 1","-P 2xab","14","","","","- C11 H0 O2 S4 -","- C11 O2 S4 -","- C44 O8 S16 -","4","1","","Simao, Claudia; Mas-Torrent, Marta; André, Vânia; Teresa Duarte, M.; Techert, Simone; Veciana, Jaume; Rovira, Concepció","Solid state photodimerisation of tetrathiafulvalene derivatives bearing carboxylate and carboxylic acid substituents","CrystEngComm","2013","15","46","9878","","10.1039/c3ce41353e","","","0.71069","MoKα","","0.2531","0.1432","","","0.3231","0.3774","","","","","","1.069","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211349","43.192","0.004","6.091","0.003","23.009","0.006","90","","91.706","0.009","90","","6051","3","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","compound4","","","- C26 H20 O5 S8 -","- C26 H20 O5 S8 -","- C208 H160 O40 S64 -","8","1","","Simao, Claudia; Mas-Torrent, Marta; André, Vânia; Teresa Duarte, M.; Techert, Simone; Veciana, Jaume; Rovira, Concepció","Solid state photodimerisation of tetrathiafulvalene derivatives bearing carboxylate and carboxylic acid substituents","CrystEngComm","2013","15","46","9878","","10.1039/c3ce41353e","","","0.71069","MoKα","","0.0809","0.0514","","","0.1225","0.1327","","","","","","1.061","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211350","17.7765","0.0014","10.2326","0.0008","20.9614","0.0017","90","","108.681","0.001","90","","3612","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H14 Cd N6 O5 -","- C15 H14 Cd N6 O5 -","- C120 H112 Cd8 N48 O40 -","8","1","","Wang, Yu-Fang; Zhuo-Li,; Sun, Yan-Chun; Zhao, Jian-She; Wang, Li-Ya","Structural modulation and properties of four cadmium(ii) coordination architectures based on 3-(pyridin-4-yl)-5-(pyrazin-2-yl)-1H-1,2,4-triazole and aromatic polycarboxylate ligands","CrystEngComm","2013","15","46","9980","","10.1039/c3ce41356j","","","0.71073","MoKα","","0.048","0.0371","","","0.1254","0.1311","","","","","","1.055","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211351","8.817","0.003","35.043","0.011","14.69","0.004","90","","121.574","0.014","90","","3867","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H26 Cd3 N12 O10 -","- C38 H25 Cd3 N12 O9.5 -","- C152 H100 Cd12 N48 O38 -","4","1","","Wang, Yu-Fang; Zhuo-Li,; Sun, Yan-Chun; Zhao, Jian-She; Wang, Li-Ya","Structural modulation and properties of four cadmium(ii) coordination architectures based on 3-(pyridin-4-yl)-5-(pyrazin-2-yl)-1H-1,2,4-triazole and aromatic polycarboxylate ligands","CrystEngComm","2013","15","46","9980","","10.1039/c3ce41356j","","","0.71073","MoKα","","0.0408","0.0284","","","0.0607","0.0662","","","","","","0.982","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211352","12.2094","0.001","10.709","0.0009","18.4149","0.0015","90","","92.646","0.001","90","","2405.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 Cd2 N6 O10 -","- C20 H18 Cd2 N6 O10 -","- C80 H72 Cd8 N24 O40 -","4","1","","Wang, Yu-Fang; Zhuo-Li,; Sun, Yan-Chun; Zhao, Jian-She; Wang, Li-Ya","Structural modulation and properties of four cadmium(ii) coordination architectures based on 3-(pyridin-4-yl)-5-(pyrazin-2-yl)-1H-1,2,4-triazole and aromatic polycarboxylate ligands","CrystEngComm","2013","15","46","9980","","10.1039/c3ce41356j","","","0.71073","MoKα","","0.0239","0.0209","","","0.0509","0.0532","","","","","","0.959","","","","has coordinates,has disorder","180444","2020-10-21","18:00:00",""
"7211353","8.1335","0.0019","16.014","0.004","16.343","0.004","62.282","0.002","87.655","0.002","87.504","0.002","1882.1","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 Cd3 N12 O14 -","- C32 H28 Cd3 N12 O14 -","- C64 H56 Cd6 N24 O28 -","2","1","","Wang, Yu-Fang; Zhuo-Li,; Sun, Yan-Chun; Zhao, Jian-She; Wang, Li-Ya","Structural modulation and properties of four cadmium(ii) coordination architectures based on 3-(pyridin-4-yl)-5-(pyrazin-2-yl)-1H-1,2,4-triazole and aromatic polycarboxylate ligands","CrystEngComm","2013","15","46","9980","","10.1039/c3ce41356j","","","0.71073","MoKα","","0.0239","0.0211","","","0.049","0.0506","","","","","","1.053","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211354","26.5522","0.0013","16.7313","0.0009","8.0639","0.0004","90","","107.038","0.003","90","","3425.2","0.3","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H26 Cu2 F5 N3 O8 -","- C35 H26 Cu2 F5 N3 O8 -","- C140 H104 Cu8 F20 N12 O32 -","4","0.5","","Constable, Edwin C.; Housecroft, Catherine E.; Vujovic, Srboljub; Zampese, Jennifer A.; Crochet, Aurélien; Batten, Stuart R.","Do perfluoroarene⋯arene and C‒H⋯F interactions make a difference to the structures of 4,2′:6′,4′′-terpyridine-based coordination polymers?","CrystEngComm","2013","15","46","10068","","10.1039/c3ce41384e","","","1.54178","CuKα","","0.0672","0.061","","","0.1639","0.1696","","","","","","1.114","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7211355","26.366","0.003","16.393","0.002","8.1433","0.0009","90","","107.648","0.006","90","","3354","0.7","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C70 H57 Cu4 F5 N6 O16 -","- C70 H57 Cu4 F5 N6 O16 -","- C140 H114 Cu8 F10 N12 O32 -","2","0.25","","Constable, Edwin C.; Housecroft, Catherine E.; Vujovic, Srboljub; Zampese, Jennifer A.; Crochet, Aurélien; Batten, Stuart R.","Do perfluoroarene⋯arene and C‒H⋯F interactions make a difference to the structures of 4,2′:6′,4′′-terpyridine-based coordination polymers?","CrystEngComm","2013","15","46","10068","","10.1039/c3ce41384e","","","1.54178","CuKα","","0.0541","0.0502","","","0.1518","0.156","","","","","","1.125","","","","has coordinates,has disorder","180444","2020-10-21","18:00:00",""
"7211356","10.6918","0.0011","17.4451","0.0017","10.9674","0.0011","90","","96.054","0.004","90","","2034.2","0.4","123","2","123","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C27 H14 F5 N3 -","- C27 H14 F5 N3 -","- C108 H56 F20 N12 -","4","1","","Constable, Edwin C.; Housecroft, Catherine E.; Vujovic, Srboljub; Zampese, Jennifer A.; Crochet, Aurélien; Batten, Stuart R.","Do perfluoroarene⋯arene and C‒H⋯F interactions make a difference to the structures of 4,2′:6′,4′′-terpyridine-based coordination polymers?","CrystEngComm","2013","15","46","10068","","10.1039/c3ce41384e","","","1.54178","CuKα","","0.0296","0.0293","","","0.0777","0.0782","","","","","","1.061","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211357","39.181","0.002","16.518","0.0009","25.5638","0.0014","90","","129.465","0.003","90","","12772.7","1.3","123","2","123","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C128 H108 F20 N12 O31 Zn5 -","- C128 H86 F20 N12 O31 Zn5 -","- C512 H344 F80 N48 O124 Zn20 -","4","1","","Constable, Edwin C.; Housecroft, Catherine E.; Vujovic, Srboljub; Zampese, Jennifer A.; Crochet, Aurélien; Batten, Stuart R.","Do perfluoroarene⋯arene and C‒H⋯F interactions make a difference to the structures of 4,2′:6′,4′′-terpyridine-based coordination polymers?","CrystEngComm","2013","15","46","10068","","10.1039/c3ce41384e","","","1.54178","CuKα","","0.0962","0.0683","","","0.1802","0.2057","","","","","","1.023","","","","has coordinates,has disorder","180444","2020-10-21","18:00:00",""
"7211358","5.512","0.002","25.524","0.01","7.743","0.003","90","","109.287","0.009","90","","1028.2","0.7","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N8 S2 -","- C20 H22 N8 S2 -","- C40 H44 N16 S4 -","2","0.5","","Jiang, Lu; Wang, Zhe; Bai, Shi-Qiang; Hor, T. S. Andy","Tuning the Zn(ii) coordination assembly by adjusting the spacers of 2-pyridylthiomethyl functionalized 1,2,3-triazoles","CrystEngComm","2013","15","48","10451","","10.1039/c3ce41385c","","","0.71073","MoKα","","0.076","0.0536","","","0.1317","0.153","","","","","","1.099","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211359","13.584","0.003","7.9537","0.0015","12.942","0.002","90","","115.153","0.004","90","","1265.7","0.4","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C18 H18 Cl4 N8 S2 Zn2 -","- C18 H18 Cl4 N8 S2 Zn2 -","- C36 H36 Cl8 N16 S4 Zn4 -","2","0.5","","Jiang, Lu; Wang, Zhe; Bai, Shi-Qiang; Hor, T. S. Andy","Tuning the Zn(ii) coordination assembly by adjusting the spacers of 2-pyridylthiomethyl functionalized 1,2,3-triazoles","CrystEngComm","2013","15","48","10451","","10.1039/c3ce41385c","","","0.71073","MoKα","","0.0403","0.0307","","","0.0845","0.1079","","","","","","1.096","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211360","19.4605","0.0018","11.6501","0.001","14.0409","0.0013","90","","121.981","0.002","90","","2700.2","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H22 Cl4 N8 S2 Zn2 -","- C20 H22 Cl4 N8 S2 Zn2 -","- C80 H88 Cl16 N32 S8 Zn8 -","4","0.5","","Jiang, Lu; Wang, Zhe; Bai, Shi-Qiang; Hor, T. S. Andy","Tuning the Zn(ii) coordination assembly by adjusting the spacers of 2-pyridylthiomethyl functionalized 1,2,3-triazoles","CrystEngComm","2013","15","48","10451","","10.1039/c3ce41385c","","","0.71073","MoKα","","0.0597","0.0463","","","0.1073","0.1134","","","","","","1.028","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211361","11.1507","0.0015","16.62","0.002","14.0288","0.0019","90","","107.922","0.003","90","","2473.7","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H48 Cl4 N16 S4 Zn2 -","- C42 H48 Cl4 N16 S4 Zn2 -","- C84 H96 Cl8 N32 S8 Zn4 -","2","0.5","","Jiang, Lu; Wang, Zhe; Bai, Shi-Qiang; Hor, T. S. Andy","Tuning the Zn(ii) coordination assembly by adjusting the spacers of 2-pyridylthiomethyl functionalized 1,2,3-triazoles","CrystEngComm","2013","15","48","10451","","10.1039/c3ce41385c","","","0.71073","MoKα","","0.0418","0.0341","","","0.0831","0.0865","","","","","","1.035","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211362","9.1365","0.001","13.0198","0.0015","13.8696","0.0016","90","","92.449","0.002","90","","1648.4","0.3","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 Cl2 N5 S Zn -","- C14 H13 Cl2 N5 S Zn -","- C56 H52 Cl8 N20 S4 Zn4 -","4","1","","Jiang, Lu; Wang, Zhe; Bai, Shi-Qiang; Hor, T. S. Andy","Tuning the Zn(ii) coordination assembly by adjusting the spacers of 2-pyridylthiomethyl functionalized 1,2,3-triazoles","CrystEngComm","2013","15","48","10451","","10.1039/c3ce41385c","","","0.71073","MoKα","","0.0444","0.037","","","0.089","0.0931","","","","","","1.055","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211363","8.9397","0.0005","17.7137","0.0009","10.9396","0.0006","90","","100.914","0.001","90","","1701.01","0.16","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 Cl4 N10 S2 Zn2 -","- C28 H26 Cl4 N10 S2 Zn2 -","- C56 H52 Cl8 N20 S4 Zn4 -","2","0.5","","Jiang, Lu; Wang, Zhe; Bai, Shi-Qiang; Hor, T. S. Andy","Tuning the Zn(ii) coordination assembly by adjusting the spacers of 2-pyridylthiomethyl functionalized 1,2,3-triazoles","CrystEngComm","2013","15","48","10451","","10.1039/c3ce41385c","","","0.71073","MoKα","","0.0288","0.0264","","","0.0654","0.0664","","","","","","1.043","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211364","12.787","0.003","13.339","0.003","16.139","0.004","65.969","0.004","83.547","0.004","85.33","0.004","2496.3","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H40 F15 I3 N8 O2 -","- C46 H40 F15 I3 N8 O2 -","- C92 H80 F30 I6 N16 O4 -","2","1","","Geer, Michael F.; Mazzuca, James; Smith, Mark D.; Shimizu, Linda S.","Short, strong halogen bonding in co-crystals of pyridyl bis-urea macrocycles and iodoperfluorocarbons","CrystEngComm","2013","15","46","9923","","10.1039/c3ce41413b","","","0.71073","MoKα","","0.0357","0.0293","","","0.0682","0.0713","","","","","","1.046","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211365","9.372","0.002","9.757","0.002","10.799","0.003","77.105","0.004","84.963","0.004","63.533","0.004","861.6","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H40 F4 I2 N8 O2 -","- C30 H40 F4 I2 N8 O2 -","- C30 H40 F4 I2 N8 O2 -","1","0.5","","Geer, Michael F.; Mazzuca, James; Smith, Mark D.; Shimizu, Linda S.","Short, strong halogen bonding in co-crystals of pyridyl bis-urea macrocycles and iodoperfluorocarbons","CrystEngComm","2013","15","46","9923","","10.1039/c3ce41413b","","","0.71073","MoKα","","0.0375","0.0335","","","0.0793","0.0814","","","","","","1.044","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211366","8.3319","0.0015","11.289","0.002","13.162","0.002","84.68","0.004","80.485","0.004","74.665","0.004","1175.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H38 F8 I6 N8 O2 -","- C32 H38 F7.998 I6 N8 O2 -","- C32 H38 F7.998 I6 N8 O2 -","1","0.5","","Geer, Michael F.; Mazzuca, James; Smith, Mark D.; Shimizu, Linda S.","Short, strong halogen bonding in co-crystals of pyridyl bis-urea macrocycles and iodoperfluorocarbons","CrystEngComm","2013","15","46","9923","","10.1039/c3ce41413b","","","0.71073","MoKα","","0.0701","0.0497","","","0.1106","0.1191","","","","","","1.091","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211367","9.9643","0.0005","11.976","0.0006","12.4981","0.0007","67.931","0.005","76.363","0.005","80.105","0.004","1337.44","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H30 Cd5 N26 O14 -","- C46 H30 Cd5 N26 O14 -","- C46 H30 Cd5 N26 O14 -","1","0.5","","Yang, E.; Ding, Qing-Rong; Kang, Yao; Wang, Fei","Two photoluminescent metal‒organic frameworks with highly-connected topological nets","CrystEngComm","2013","15","48","10563","","10.1039/c3ce41415a","","","0.71073","MoKα","","0.0423","0.0366","","","0.0962","0.1015","","","","","","1.016","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211368","12.0876","0.0005","13.9694","0.0005","17.0235","0.0006","91.703","0.003","110.084","0.003","100.902","0.003","2637","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H22 Cd5 N24 O14 -","- C42 H22 Cd5 N24 O14 -","- C84 H44 Cd10 N48 O28 -","2","1","","Yang, E.; Ding, Qing-Rong; Kang, Yao; Wang, Fei","Two photoluminescent metal‒organic frameworks with highly-connected topological nets","CrystEngComm","2013","15","48","10563","","10.1039/c3ce41415a","","","0.71073","MoKα","","0.0429","0.0343","","","0.089","0.093","","","","","","1.194","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211369","19.563","0.006","18.755","0.005","20.674","0.006","90","","113.675","0.016","90","","6947","4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H54 Mo12 N12 O39 -","- C42 H54 Mo12 N12 O39 -","- C168 H216 Mo48 N48 O156 -","4","1","","Yue, Zhong-Cheng; Du, Hai-Juan; Niu, Yun-Yin; Jin, Guo-Xin","An unprecedented ι-type octamolybdate: [TbI1]2[(β-Mo8O26)0.5(ι-Mo8O26)] directed by a new tricationic template","CrystEngComm","2013","15","46","9844","","10.1039/c3ce41418c","","","0.71073","MoKα","","0.0611","0.0354","","","0.0642","0.0738","","","","","","1.01","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211370","10.923","0.004","10.889","0.004","12.814","0.004","90","","102.503","0.017","90","","1488","0.9","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H39 N3 O6 -","- C29 H39 N3 O6 -","- C58 H78 N6 O12 -","2","1","","Konar, Anita Dutt","The unique crystallographic signature of a β-turn mimic nucleated by N-methylated phenylalanine and Aib as corner residue: conformational and self-assembly studies","CrystEngComm","2013","15","48","10569","","10.1039/c3ce41448e","","","0.71073","MoKα","","0.0497","0.0448","","","0.1235","0.128","","","","","","1.067","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211371","12.575","0.004","10.973","0.003","13.526","0.005","90","","105.577","0.009","90","","1797.8","1","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H35 N3 O6 -","- C27 H35 N3 O6 -","- C54 H70 N6 O12 -","2","1","","Konar, Anita Dutt","The unique crystallographic signature of a β-turn mimic nucleated by N-methylated phenylalanine and Aib as corner residue: conformational and self-assembly studies","CrystEngComm","2013","15","48","10569","","10.1039/c3ce41448e","","","0.71073","MoKα","","0.1863","0.0993","","","0.2502","0.2947","","","","","","1.056","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211372","26.273","","10.799","","25.051","","90","","95.02","","90","","7080.26","","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C30 H32 Cd3 O21 -","- C30 H32 Cd3 O21 -","- C240 H256 Cd24 O168 -","8","1","","Gu, Jin-Zhong; Kirillov, Alexander M.; Wu, Jiang; Lv, Dong-Yu; Tang, Yu; Wu, Jin-Cai","Synthesis, structural versatility, luminescent and magnetic properties of a series of coordination polymers constructed from biphenyl-2,4,4′-tricarboxylate and different N-donor ligands","CrystEngComm","2013","15","47","10287","","10.1039/c3ce41457d","","","0.71073","MoKα","","0.0294","0.0259","","","0.0648","0.0668","","","","","","1.06","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211373","10.3202","0.0005","13.9105","0.0007","16.3411","0.0007","90","","95.892","0.004","90","","2333.52","0.19","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H20 Cd N2 O8 -","- C27 H20 Cd N2 O8 -","- C108 H80 Cd4 N8 O32 -","4","1","","Gu, Jin-Zhong; Kirillov, Alexander M.; Wu, Jiang; Lv, Dong-Yu; Tang, Yu; Wu, Jin-Cai","Synthesis, structural versatility, luminescent and magnetic properties of a series of coordination polymers constructed from biphenyl-2,4,4′-tricarboxylate and different N-donor ligands","CrystEngComm","2013","15","47","10287","","10.1039/c3ce41457d","","","0.71073","MoKα","","0.0488","0.0408","","","0.1363","0.1455","","","","","","1.063","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211374","8.5092","0.0002","40.4753","0.0013","15.5716","0.0004","90","","118.257","0.002","90","","4724","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H34 Cd3 N4 O14 -","- C54 H34 Cd3 N4 O14 -","- C216 H136 Cd12 N16 O56 -","4","1","","Gu, Jin-Zhong; Kirillov, Alexander M.; Wu, Jiang; Lv, Dong-Yu; Tang, Yu; Wu, Jin-Cai","Synthesis, structural versatility, luminescent and magnetic properties of a series of coordination polymers constructed from biphenyl-2,4,4′-tricarboxylate and different N-donor ligands","CrystEngComm","2013","15","47","10287","","10.1039/c3ce41457d","","","0.71073","MoKα","","0.0617","0.0433","","","0.0804","0.0892","","","","","","1.055","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211375","9.8127","0.0005","13.7846","0.0012","16.4007","0.0013","73.692","0.007","80.411","0.006","77.779","0.006","2067.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H34 Mn N4 O12 -","- C50 H34 Mn N4 O12 -","- C100 H68 Mn2 N8 O24 -","2","1","","Gu, Jin-Zhong; Kirillov, Alexander M.; Wu, Jiang; Lv, Dong-Yu; Tang, Yu; Wu, Jin-Cai","Synthesis, structural versatility, luminescent and magnetic properties of a series of coordination polymers constructed from biphenyl-2,4,4′-tricarboxylate and different N-donor ligands","CrystEngComm","2013","15","47","10287","","10.1039/c3ce41457d","","","0.71073","MoKα","","0.1084","0.0617","","","0.1112","0.1456","","","","","","1.05","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211376","7.3341","0.0004","10.9138","0.0006","11.253","0.0009","90.484","0.005","104.231","0.006","105.006","0.005","840.8","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H16 Co2 O11 -","- C15 H16 Co2 O11 -","- C30 H32 Co4 O22 -","2","1","","Gu, Jin-Zhong; Kirillov, Alexander M.; Wu, Jiang; Lv, Dong-Yu; Tang, Yu; Wu, Jin-Cai","Synthesis, structural versatility, luminescent and magnetic properties of a series of coordination polymers constructed from biphenyl-2,4,4′-tricarboxylate and different N-donor ligands","CrystEngComm","2013","15","47","10287","","10.1039/c3ce41457d","","","0.71073","MoKα","","0.0918","0.0767","","","0.1882","0.1999","","","","","","1.062","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211377","9.4312","0.0014","9.7651","0.0011","12.7597","0.0017","108.799","0.011","103.281","0.012","93.934","0.011","1069.6","0.3","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C50 H30 Mn3 N4 O12 -","- C50 H30 Mn3 N4 O12 -","- C50 H30 Mn3 N4 O12 -","1","0.5","","Gu, Jin-Zhong; Kirillov, Alexander M.; Wu, Jiang; Lv, Dong-Yu; Tang, Yu; Wu, Jin-Cai","Synthesis, structural versatility, luminescent and magnetic properties of a series of coordination polymers constructed from biphenyl-2,4,4′-tricarboxylate and different N-donor ligands","CrystEngComm","2013","15","47","10287","","10.1039/c3ce41457d","","","0.7107","MoKα","","0.1053","0.0879","","","0.2063","0.2164","","","","","","1.112","","","","has coordinates,has disorder","180444","2020-10-21","18:00:00",""
"7211378","9.5262","0.0019","21.006","0.004","12.489","0.002","90","","111.832","0.009","90","","2319.9","0.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H16 N2 O6 Pb -","- C27 H16 N2 O6 Pb -","- C108 H64 N8 O24 Pb4 -","4","1","","Gu, Jin-Zhong; Kirillov, Alexander M.; Wu, Jiang; Lv, Dong-Yu; Tang, Yu; Wu, Jin-Cai","Synthesis, structural versatility, luminescent and magnetic properties of a series of coordination polymers constructed from biphenyl-2,4,4′-tricarboxylate and different N-donor ligands","CrystEngComm","2013","15","47","10287","","10.1039/c3ce41457d","","","0.71073","MoKα","","0.038","0.0251","","","0.0509","0.0546","","","","","","0.998","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211379","13.144","0.0005","16.1395","0.0008","17.3653","0.0009","112.258","0.005","104.013","0.004","96.65","0.004","3218.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H48 N5 Ni3 O19 -","- C55 H48 N5 Ni3 O19 -","- C110 H96 N10 Ni6 O38 -","2","1","","Gu, Jin-Zhong; Kirillov, Alexander M.; Wu, Jiang; Lv, Dong-Yu; Tang, Yu; Wu, Jin-Cai","Synthesis, structural versatility, luminescent and magnetic properties of a series of coordination polymers constructed from biphenyl-2,4,4′-tricarboxylate and different N-donor ligands","CrystEngComm","2013","15","47","10287","","10.1039/c3ce41457d","","","0.71073","MoKα","","0.1097","0.0688","","","0.1639","0.1911","","","","","","1.026","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211380","6.955","0.002","18.182","0.003","22.181","0.003","90","","95.31","0.03","90","","2792.9","1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis(μ~2~-4-(E)-(4-chlorobenzylidene)amino-4H-1,2,4-triazole)-bis((E)-4-(chlor obenzylidene)amino-4H-1,2,4-triazole)-di-copper(i) diperchlorate methanol 5.24-solvate","","- C41.23 H48.96 Cl6 Cu2 N16 O13.22 -","- C41.23 H28 Cl6 Cu2 N16 O13.23 -","- C82.46 H56 Cl12 Cu4 N32 O26.46 -","2","0.5","","Białońska, Agata; Drabent, Krzysztof; Filipowicz, Barbara; Siczek, Miłosz","Reversible guest vapour sorption in breathing crystals of a discrete ionic binuclear Cu(i) complex","CrystEngComm","2013","15","46","9859","","10.1039/c3ce41461b","","","0.71073","MoKα","","0.1709","0.0541","","","0.1287","0.1521","","","","","","0.868","","","","has coordinates,has disorder","180444","2020-10-21","18:00:00",""
"7211381","6.971","0.002","17.912","0.003","22.289","0.003","90","","95.64","0.03","90","","2769.6","1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis(μ~2~-4-(E)-(4-chlorobenzylidene)amino-4H-1,2,4-triazole)-bis((E)-4-(chlor obenzylidene)amino-4H-1,2,4-triazole)-di-copper(i) diperchlorate tetrachloromethane disolvate","","- C38 H28 Cl14 Cu2 N16 O8 -","- C38 H28 Cl14 Cu2 N16 O8 -","- C76 H56 Cl28 Cu4 N32 O16 -","2","0.5","","Białońska, Agata; Drabent, Krzysztof; Filipowicz, Barbara; Siczek, Miłosz","Reversible guest vapour sorption in breathing crystals of a discrete ionic binuclear Cu(i) complex","CrystEngComm","2013","15","46","9859","","10.1039/c3ce41461b","","","0.71073","MoKα","","0.293","0.105","","","0.1311","0.1983","","","","","","0.95","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211382","6.999","0.002","17.994","0.003","22.019","0.003","90","","95.67","0.03","90","","2759.5","1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis(μ~2~-4-(E)-(4-chlorobenzylidene)amino-4H-1,2,4-triazole)-bis((E)-4-(chlor obenzylidene)amino-4H-1,2,4-triazole)-di-copper(i) diperchlorate toluene disolvate","","- C50 H44 Cl6 Cu2 N16 O8 -","- C50 H44 Cl6 Cu2 N16 O8 -","- C100 H88 Cl12 Cu4 N32 O16 -","2","0.5","","Białońska, Agata; Drabent, Krzysztof; Filipowicz, Barbara; Siczek, Miłosz","Reversible guest vapour sorption in breathing crystals of a discrete ionic binuclear Cu(i) complex","CrystEngComm","2013","15","46","9859","","10.1039/c3ce41461b","","","0.71073","MoKα","","0.2272","0.0595","","","0.0753","0.1046","","","","","","0.777","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211383","14.183","0.003","18.048","0.003","22.365","0.004","90","","95.08","0.03","90","","5702.4","1.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis(μ~2~-4-(E)-(4-chlorobenzylidene)amino-4H-1,2,4-triazole)-bis((E)-4-(chlor obenzylidene)amino-4H-1,2,4-triazole)-di-copper(i) diperchlorate o-xylene disolvate","","- C52 H48 Cl6 Cu2 N16 O8 -","- C52 H48 Cl6 Cu2 N16 O8 -","- C208 H192 Cl24 Cu8 N64 O32 -","4","1","","Białońska, Agata; Drabent, Krzysztof; Filipowicz, Barbara; Siczek, Miłosz","Reversible guest vapour sorption in breathing crystals of a discrete ionic binuclear Cu(i) complex","CrystEngComm","2013","15","46","9859","","10.1039/c3ce41461b","","","0.71073","MoKα","","0.1009","0.0412","","","0.0724","0.0831","","","","","","0.813","","","","has coordinates,has disorder","180444","2020-10-21","18:00:00",""
"7211384","6.987","0.002","18.534","0.003","22.097","0.004","90","","94.78","0.03","90","","2851.5","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis(μ~2~-4-(E)-(4-chlorobenzylidene)amino-4H-1,2,4-triazole)-bis((E)-4-(chlor obenzylidene)amino-4H-1,2,4-triazole)-di-copper(i) diperchlorate m-xylene disolvate","","- C52 H48 Cl6 Cu2 N16 O8 -","- C52 H48 Cl6 Cu2 N16 O8 -","- C104 H96 Cl12 Cu4 N32 O16 -","2","0.5","","Białońska, Agata; Drabent, Krzysztof; Filipowicz, Barbara; Siczek, Miłosz","Reversible guest vapour sorption in breathing crystals of a discrete ionic binuclear Cu(i) complex","CrystEngComm","2013","15","46","9859","","10.1039/c3ce41461b","","","0.71073","MoKα","","0.095","0.0422","","","0.0736","0.0814","","","","","","0.844","","","","has coordinates,has disorder","180444","2020-10-21","18:00:00",""
"7211385","6.946","0.002","18.278","0.003","22.45","0.004","90","","91.75","0.03","90","","2848.9","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis(μ~2~-4-(E)-(4-chlorobenzylidene)amino-4H-1,2,4-triazole)-bis((E)-4-(chlor obenzylidene)amino-4H-1,2,4-triazole)-di-copper(i) diperchlorate p-xylene disolvate","","- C52 H48 Cl6 Cu2 N16 O8 -","- C52 H48 Cl6 Cu2 N16 O8 -","- C104 H96 Cl12 Cu4 N32 O16 -","2","0.5","","Białońska, Agata; Drabent, Krzysztof; Filipowicz, Barbara; Siczek, Miłosz","Reversible guest vapour sorption in breathing crystals of a discrete ionic binuclear Cu(i) complex","CrystEngComm","2013","15","46","9859","","10.1039/c3ce41461b","","","0.71073","MoKα","","0.1048","0.0393","","","0.0652","0.0768","","","","","","0.847","","","","has coordinates,has disorder","180444","2020-10-21","18:00:00",""
"7211386","7.023","0.002","18.472","0.003","22.101","0.004","90","","95.36","0.03","90","","2854.6","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis(μ~2~-4-(E)-(4-chlorobenzylidene)amino-4H-1,2,4-triazole)-bis((E)-4-(chlor obenzylidene)amino-4H-1,2,4-triazole)-di-copper(i) diperchlorate naphthalene clathrate","","- C56 H44 Cl6 Cu2 N16 O8 -","- C56 H44 Cl6 Cu2 N16 O8 -","- C112 H88 Cl12 Cu4 N32 O16 -","2","0.5","","Białońska, Agata; Drabent, Krzysztof; Filipowicz, Barbara; Siczek, Miłosz","Reversible guest vapour sorption in breathing crystals of a discrete ionic binuclear Cu(i) complex","CrystEngComm","2013","15","46","9859","","10.1039/c3ce41461b","","","0.71073","MoKα","","0.2903","0.1199","","","0.1754","0.2289","","","","","","0.93","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211387","6.993","0.002","18.663","0.003","22.01","0.004","90","","95.07","0.03","90","","2861.3","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis(μ~2~-4-(E)-(4-chlorobenzylidene)amino-4H-1,2,4-triazole)-bis((E)-4-(chlor obenzylidene)amino-4H-1,2,4-triazole)-di-copper(i) diperchlorate xylene disolvate","","- C52 H48 Cl6 Cu2 N16 O8 -","- C52 H48 Cl6 Cu2 N16 O8 -","- C104 H96 Cl12 Cu4 N32 O16 -","2","0.5","","Białońska, Agata; Drabent, Krzysztof; Filipowicz, Barbara; Siczek, Miłosz","Reversible guest vapour sorption in breathing crystals of a discrete ionic binuclear Cu(i) complex","CrystEngComm","2013","15","46","9859","","10.1039/c3ce41461b","","","0.71073","MoKα","","0.2566","0.1132","","","0.1762","0.2269","","","","","","1.017","","","","has coordinates,has disorder","180444","2020-10-21","18:00:00",""
"7211388","7.093","0.002","18.185","0.003","18.27","0.003","90","","90.4","0.03","90","","2356.5","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis(μ~2~-4-(E)-(4-chlorobenzylidene)amino-4H-1,2,4-triazole)-bis((E)-4-(chlor obenzylidene)amino-4H-1,2,4-triazole)-di-copper(i) diperchlorate","","- C36 H28 Cl6 Cu2 N16 O8 -","- C36 H28 Cl6 Cu2 N16 O8 -","- C72 H56 Cl12 Cu4 N32 O16 -","2","0.5","","Białońska, Agata; Drabent, Krzysztof; Filipowicz, Barbara; Siczek, Miłosz","Reversible guest vapour sorption in breathing crystals of a discrete ionic binuclear Cu(i) complex","CrystEngComm","2013","15","46","9859","","10.1039/c3ce41461b","","","1.54175","CuKα","","0.2944","0.0646","","","0.1244","0.1669","","","","","","0.531","","","","has coordinates,has disorder","180444","2020-10-21","18:00:00",""
"7211389","8.1994","0.0016","16.883","0.003","12.655","0.004","90","","129.974","0.019","90","","1342.5","0.7","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 Co N14 O2 -","- C8 H8 Co N14 O2 -","- C32 H32 Co4 N56 O8 -","4","1","","Tian, Li; Niu, Zheng; Liu, Zhong-Yi; Zhou, Shang-Yong; Cheng, Peng","A series of coordination polymers based on a 5-(3′-amine-1′H-pyrazol-4′-yl)-1H-tetrazole ligand: synthesis, structure and properties","CrystEngComm","2013","15","46","10094","","10.1039/c3ce41462k","","","0.71073","MoKα","","0.1349","0.1184","","","0.2687","0.2759","","","","","","0.974","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211390","8.2502","0.0007","16.8656","0.001","12.7981","0.001","90","","129.908","0.005","90","","1366","0.2","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 N14 O3 Zn -","- C8 H8 N14 O3 Zn -","- C32 H32 N56 O12 Zn4 -","4","1","","Tian, Li; Niu, Zheng; Liu, Zhong-Yi; Zhou, Shang-Yong; Cheng, Peng","A series of coordination polymers based on a 5-(3′-amine-1′H-pyrazol-4′-yl)-1H-tetrazole ligand: synthesis, structure and properties","CrystEngComm","2013","15","46","10094","","10.1039/c3ce41462k","","","0.71073","MoKα","","0.1195","0.1135","","","0.2805","0.2821","","","","","","1.181","","","","has coordinates,has disorder","180444","2020-10-21","18:00:00",""
"7211391","9.6277","0.0006","6.4382","0.0004","9.7615","0.0006","90","","95.393","0.005","90","","602.39","0.06","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H3 Cu0.5 N7 -","- C4 H3 Cu0.5 N7 -","- C16 H12 Cu2 N28 -","4","1","","Tian, Li; Niu, Zheng; Liu, Zhong-Yi; Zhou, Shang-Yong; Cheng, Peng","A series of coordination polymers based on a 5-(3′-amine-1′H-pyrazol-4′-yl)-1H-tetrazole ligand: synthesis, structure and properties","CrystEngComm","2013","15","46","10094","","10.1039/c3ce41462k","","","0.71073","MoKα","","0.0433","0.0339","","","0.0861","0.0885","","","","","","1.098","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211392","8.3955","0.0017","16.678","0.003","13.398","0.004","90","","128.62","0.02","90","","1465.7","0.7","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 Cd N14 O2.5 -","- C8 H8 Cd N14 O2.5 -","- C32 H32 Cd4 N56 O10 -","4","1","","Tian, Li; Niu, Zheng; Liu, Zhong-Yi; Zhou, Shang-Yong; Cheng, Peng","A series of coordination polymers based on a 5-(3′-amine-1′H-pyrazol-4′-yl)-1H-tetrazole ligand: synthesis, structure and properties","CrystEngComm","2013","15","46","10094","","10.1039/c3ce41462k","","","0.71073","MoKα","","0.0785","0.0609","","","0.1319","0.1378","","","","","","1.19","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7211393","18.1047","0.0018","26.696","0.003","18.618","0.003","90","","115.839","0.002","90","","8098.9","1.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C78 H84 Cu3 N12 O24 -","- C78 H72 Cu3 N12 O24 -","- C312 H288 Cu12 N48 O96 -","4","0.5","","Wang, Xiuli; Luan, Jian; Lin, Hongyan; Xu, Chuang; Liu, Guocheng; Zhang, Juwen; Tian, Aixiang","The design and construction of a series of metal‒organic coordination polymers based on two isomeric semi-rigid bis-pyridyl-bis-amide ligands and three aromatic polycarboxylates","CrystEngComm","2013","15","46","9995","","10.1039/c3ce41498a","","","0.71073","MoKα","","0.0695","0.0449","","","0.1144","0.1225","","","","","","1.058","","","","has coordinates,has disorder","180444","2020-10-21","18:00:00",""
"7211394","10.1362","0.0013","16.167","0.002","16.57","0.002","110.64","0.002","92.365","0.002","102.114","0.002","2464.7","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C90 H102 Cu3 N16 O28 -","- C90 H86 Cu3 N16 O28 -","- C90 H86 Cu3 N16 O28 -","1","0.5","","Wang, Xiuli; Luan, Jian; Lin, Hongyan; Xu, Chuang; Liu, Guocheng; Zhang, Juwen; Tian, Aixiang","The design and construction of a series of metal‒organic coordination polymers based on two isomeric semi-rigid bis-pyridyl-bis-amide ligands and three aromatic polycarboxylates","CrystEngComm","2013","15","46","9995","","10.1039/c3ce41498a","","","0.71073","MoKα","","0.092","0.0541","","","0.122","0.1351","","","","","","1.005","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211395","9.9622","0.001","18.3107","0.0018","15.7167","0.0015","90","","106.788","0.002","90","","2744.8","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 Cu N4 O7 -","- C26 H26 Cu N4 O7 -","- C104 H104 Cu4 N16 O28 -","4","1","","Wang, Xiuli; Luan, Jian; Lin, Hongyan; Xu, Chuang; Liu, Guocheng; Zhang, Juwen; Tian, Aixiang","The design and construction of a series of metal‒organic coordination polymers based on two isomeric semi-rigid bis-pyridyl-bis-amide ligands and three aromatic polycarboxylates","CrystEngComm","2013","15","46","9995","","10.1039/c3ce41498a","","","0.71073","MoKα","","0.0464","0.0388","","","0.1118","0.1156","","","","","","1.076","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211396","9.8769","0.0011","12.6544","0.0014","16.4665","0.0018","109.065","0.002","91.359","0.002","106.942","0.002","1844.6","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H30 Cu2 N4 O11 -","- C34 H30 Cu2 N4 O11 -","- C68 H60 Cu4 N8 O22 -","2","1","","Wang, Xiuli; Luan, Jian; Lin, Hongyan; Xu, Chuang; Liu, Guocheng; Zhang, Juwen; Tian, Aixiang","The design and construction of a series of metal‒organic coordination polymers based on two isomeric semi-rigid bis-pyridyl-bis-amide ligands and three aromatic polycarboxylates","CrystEngComm","2013","15","46","9995","","10.1039/c3ce41498a","","","0.71073","MoKα","","0.0446","0.0347","","","0.1043","0.1082","","","","","","1.119","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211397","9.8628","0.0006","18.1938","0.0011","15.8811","0.0009","90","","106.858","0.001","90","","2727.3","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 Co N4 O7 -","- C26 H26 Co N4 O7 -","- C104 H104 Co4 N16 O28 -","4","1","","Wang, Xiuli; Luan, Jian; Lin, Hongyan; Xu, Chuang; Liu, Guocheng; Zhang, Juwen; Tian, Aixiang","The design and construction of a series of metal‒organic coordination polymers based on two isomeric semi-rigid bis-pyridyl-bis-amide ligands and three aromatic polycarboxylates","CrystEngComm","2013","15","46","9995","","10.1039/c3ce41498a","","","0.71073","MoKα","","0.0369","0.0298","","","0.0783","0.081","","","","","","1.038","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211398","9.9566","0.0005","18.2591","0.0009","15.6736","0.0008","90","","107.467","0.001","90","","2718.1","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 N4 Ni O7 -","- C26 H26 N4 Ni O7 -","- C104 H104 N16 Ni4 O28 -","4","1","","Wang, Xiuli; Luan, Jian; Lin, Hongyan; Xu, Chuang; Liu, Guocheng; Zhang, Juwen; Tian, Aixiang","The design and construction of a series of metal‒organic coordination polymers based on two isomeric semi-rigid bis-pyridyl-bis-amide ligands and three aromatic polycarboxylates","CrystEngComm","2013","15","46","9995","","10.1039/c3ce41498a","","","0.71073","MoKα","","0.0306","0.0262","","","0.0702","0.072","","","","","","1.042","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211399","9.7361","0.0006","18.0736","0.0012","16.1041","0.001","90","","105.956","0.001","90","","2724.6","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 N4 O7 Zn -","- C26 H26 N4 O7 Zn -","- C104 H104 N16 O28 Zn4 -","4","1","","Wang, Xiuli; Luan, Jian; Lin, Hongyan; Xu, Chuang; Liu, Guocheng; Zhang, Juwen; Tian, Aixiang","The design and construction of a series of metal‒organic coordination polymers based on two isomeric semi-rigid bis-pyridyl-bis-amide ligands and three aromatic polycarboxylates","CrystEngComm","2013","15","46","9995","","10.1039/c3ce41498a","","","0.71073","MoKα","","0.0382","0.0295","","","0.0721","0.0748","","","","","","1.039","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211400","10.1518","0.0006","11.2296","0.0007","12.6969","0.0007","86.471","0.001","79.731","0.001","66.137","0.001","1302.43","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H26 Cd N4 O7 -","- C26 H26 Cd N4 O7 -","- C52 H52 Cd2 N8 O14 -","2","1","","Wang, Xiuli; Luan, Jian; Lin, Hongyan; Xu, Chuang; Liu, Guocheng; Zhang, Juwen; Tian, Aixiang","The design and construction of a series of metal‒organic coordination polymers based on two isomeric semi-rigid bis-pyridyl-bis-amide ligands and three aromatic polycarboxylates","CrystEngComm","2013","15","46","9995","","10.1039/c3ce41498a","","","0.71073","MoKα","","0.0261","0.0234","","","0.0561","0.0572","","","","","","1.045","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211401","10.1198","0.0012","10.1243","0.0012","13.32","0.0016","99.284","0.002","99.883","0.002","109.078","0.002","1235.5","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 Cd N4 O6 -","- C26 H24 Cd N4 O6 -","- C52 H48 Cd2 N8 O12 -","2","1","","Wang, Xiuli; Luan, Jian; Lin, Hongyan; Xu, Chuang; Liu, Guocheng; Zhang, Juwen; Tian, Aixiang","The design and construction of a series of metal‒organic coordination polymers based on two isomeric semi-rigid bis-pyridyl-bis-amide ligands and three aromatic polycarboxylates","CrystEngComm","2013","15","46","9995","","10.1039/c3ce41498a","","","0.71073","MoKα","","0.0313","0.0264","","","0.0634","0.0655","","","","","","1.042","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211402","10.5554","0.0008","22.6863","0.0018","12.4204","0.001","90","","100.712","0.001","90","","2922.4","0.4","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 Ag6 K2 N20 O40 P W12 -","- C24 H16 Ag6 K2 N20 O40 P W12 -","- C48 H32 Ag12 K4 N40 O80 P2 W24 -","2","0.5","","Sun, Jingwen; Li, Mengting; Sha, Jingquan; Yan, Pengfei; Wang, Cheng; Li, Shuxian; Pan, Yang","Assembly of the first polyoxometalate-based hybrid with [ring+helix] channels and photocatalytic activity","CrystEngComm","2013","15","48","10584","","10.1039/c3ce41518j","","","0.71073","MoKα","","0.0817","0.0582","","","0.1408","0.1532","","","","","","1.042","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211403","10.8996","0.0004","19.1551","0.0006","29.1067","0.001","90","","90","","90","","6077","0.4","173","2","173","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","4-phenyl-1,2,3,5-dithiadiazolyl- 4-(4'-perfluoropyridyl)-1,2,3,5-dithiadiazolyl co-crystal","","","- C13 H5 F4 N5 S4 -","- C13 H5 F4 N5 S4 -","- C208 H80 F64 N80 S64 -","16","2","","Robinson, Sean W.; Haynes, Delia A.; Rawson, Jeremy M.","Co-crystal formation with 1,2,3,5-dithiadiazolyl radicals","CrystEngComm","2013","15","47","10205","","10.1039/c3ce41519h","","","1.54178","CuKα","","0.0243","0.0237","","","0.0658","0.0662","","","","","","1.096","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211404","9.225","0.004","30.478","0.013","8.366","0.003","90","","90","","90","","2352.2","1.7","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C15 H10 Cu2 N2 O8 S2 -","- C15 H10 Cu2 N2 O8 S2 -","- C60 H40 Cu8 N8 O32 S8 -","4","0.5","","Lago, Ana Belén; Carballo, Rosa; Fabelo, Oscar; Fernández-Hermida, Nuria; Lloret, Francesc; Vázquez-López, Ezequiel M.","Metallosupramolecular compounds based on Cu(ii)/oxalate/twisted NSSN ligands showing a new in situ S‒C bond cleavage","CrystEngComm","2013","15","48","10550","","10.1039/c3ce41525b","","","0.71073","MoKα","","0.1473","0.0922","","","0.2165","0.2392","","","","","","0.983","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211405","9.7573","0.001","16.7259","0.0017","10.2055","0.001","90","","95.508","0.002","90","","1657.8","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H11 Cu N2 O7 S2 -","- C14 H11 Cu N2 O7 S2 -","- C56 H44 Cu4 N8 O28 S8 -","4","1","","Lago, Ana Belén; Carballo, Rosa; Fabelo, Oscar; Fernández-Hermida, Nuria; Lloret, Francesc; Vázquez-López, Ezequiel M.","Metallosupramolecular compounds based on Cu(ii)/oxalate/twisted NSSN ligands showing a new in situ S‒C bond cleavage","CrystEngComm","2013","15","48","10550","","10.1039/c3ce41525b","","","0.71073","MoKα","","0.127","0.0455","","","0.0568","0.0685","","","","","","0.754","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211406","14.86","0.003","30.778","0.005","11.919","0.002","90","","95.102","0.003","90","","5429.7","1.7","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 Cu N4 O7 S4 -","- C22 H16 Cu N4 O7 S4 -","- C176 H128 Cu8 N32 O56 S32 -","8","1","","Lago, Ana Belén; Carballo, Rosa; Fabelo, Oscar; Fernández-Hermida, Nuria; Lloret, Francesc; Vázquez-López, Ezequiel M.","Metallosupramolecular compounds based on Cu(ii)/oxalate/twisted NSSN ligands showing a new in situ S‒C bond cleavage","CrystEngComm","2013","15","48","10550","","10.1039/c3ce41525b","","","0.71073","MoKα","","0.0983","0.061","","","0.1538","0.1782","","","","","","0.846","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211407","10.01","0.004","24.79","0.009","9.343","0.003","90","","113.657","0.007","90","","2123.6","1.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 Cu N2 O10 S2 -","- C12 H8 Cu N2 O10 S2 -","- C48 H32 Cu4 N8 O40 S8 -","4","0.5","","Lago, Ana Belén; Carballo, Rosa; Fabelo, Oscar; Fernández-Hermida, Nuria; Lloret, Francesc; Vázquez-López, Ezequiel M.","Metallosupramolecular compounds based on Cu(ii)/oxalate/twisted NSSN ligands showing a new in situ S‒C bond cleavage","CrystEngComm","2013","15","48","10550","","10.1039/c3ce41525b","","","0.71073","MoKα","","0.2339","0.0768","","","0.193","0.2848","","","","","","0.985","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211408","19.662","0.007","13.469","0.004","19.049","0.007","90","","119.676","0.004","90","","4383","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H17 Cl2 Co N4 O4.5 -","- C19 H18 Cl2 Co N4 O4.5 -","- C152 H144 Cl16 Co8 N32 O36 -","8","1","","Guo, Xiang-Guang; Yang, Wen-Bin; Wu, Xiao-Yuan; Zhang, Qi-Kai; Lu, Can-Zhong","Construction of coordination polymers based on methylenebis(3,5-dimethylpyrazole) and varied aromatic carboxylic acids","CrystEngComm","2013","15","46","10107","","10.1039/c3ce41575a","","","0.71073","MoKα","","0.0789","0.0672","","","0.176","0.1874","","","","","","1.007","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7211409","9.911","0.003","10.115","0.003","12.281","0.004","83.369","0.014","67.12","0.012","69.755","0.012","1064","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H18 Cd Cl2 N4 O4 -","- C19 H18 Cd Cl2 N4 O4 -","- C38 H36 Cd2 Cl4 N8 O8 -","2","1","","Guo, Xiang-Guang; Yang, Wen-Bin; Wu, Xiao-Yuan; Zhang, Qi-Kai; Lu, Can-Zhong","Construction of coordination polymers based on methylenebis(3,5-dimethylpyrazole) and varied aromatic carboxylic acids","CrystEngComm","2013","15","46","10107","","10.1039/c3ce41575a","","","0.71073","MoKα","","0.0826","0.0576","","","0.1604","0.2407","","","","","","1.004","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211410","20.3721","0.0008","9.4647","0.0002","17.2551","0.0007","90","","97.434","0.003","90","","3299.1","0.2","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C30 H38 Cd N8 O6 -","- C30 H38 Cd N8 O6 -","- C120 H152 Cd4 N32 O24 -","4","1","","Guo, Xiang-Guang; Yang, Wen-Bin; Wu, Xiao-Yuan; Zhang, Qi-Kai; Lu, Can-Zhong","Construction of coordination polymers based on methylenebis(3,5-dimethylpyrazole) and varied aromatic carboxylic acids","CrystEngComm","2013","15","46","10107","","10.1039/c3ce41575a","","","0.71073","MoKα","","0.056","0.0387","","","0.109","0.1457","","","","","","1.009","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211411","12.412","0.005","16.372","0.007","31.497","0.013","90","","90","","90","","6400","5","293","2","293","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C16 H17 Cu N4 O4 -","- C16 H17 Cu N4 O4 -","- C256 H272 Cu16 N64 O64 -","16","0.5","","Guo, Xiang-Guang; Yang, Wen-Bin; Wu, Xiao-Yuan; Zhang, Qi-Kai; Lu, Can-Zhong","Construction of coordination polymers based on methylenebis(3,5-dimethylpyrazole) and varied aromatic carboxylic acids","CrystEngComm","2013","15","46","10107","","10.1039/c3ce41575a","","","0.71073","MoKα","","0.0454","0.0364","","","0.1247","0.1379","","","","","","1.007","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211412","21.489","0.003","7.1038","0.0008","23.022","0.004","90","","92.15","0.013","90","","3511.9","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H19 Co N4 O5 -","- C16 H19 Co N4 O5 -","- C128 H152 Co8 N32 O40 -","8","1","","Guo, Xiang-Guang; Yang, Wen-Bin; Wu, Xiao-Yuan; Zhang, Qi-Kai; Lu, Can-Zhong","Construction of coordination polymers based on methylenebis(3,5-dimethylpyrazole) and varied aromatic carboxylic acids","CrystEngComm","2013","15","46","10107","","10.1039/c3ce41575a","","","0.71073","MoKα","","0.0571","0.0457","","","0.1248","0.1434","","","","","","1.014","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211413","12.3734","0.0002","11.2005","0.0002","15.8979","0.0003","90","","109.179","0.002","90","","2080.97","0.07","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 Mn N5 O7 -","- C19 H21 Mn N5 O7 -","- C76 H84 Mn4 N20 O28 -","4","1","","Guo, Xiang-Guang; Yang, Wen-Bin; Wu, Xiao-Yuan; Zhang, Qi-Kai; Lu, Can-Zhong","Construction of coordination polymers based on methylenebis(3,5-dimethylpyrazole) and varied aromatic carboxylic acids","CrystEngComm","2013","15","46","10107","","10.1039/c3ce41575a","","","0.71073","MoKα","","0.05","0.0462","","","0.1315","0.1342","","","","","","1.031","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211414","6.9774","0.0002","10.7434","0.0005","11.8115","0.0004","103.704","0.003","102.664","0.003","103.066","0.003","802.36","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H10 Br2 F4 N2 -","- C16 H10 Br2 F4 N2 -","- C32 H20 Br4 F8 N4 -","2","1","","Arcus, Vickery L.; Bernstein, Daniel R.; Crombie, Cameron W.; Saunders, Graham C.","Infinite stacking of alternating polyfluoroaryl rings and bromide anions","CrystEngComm","2013","15","46","9841","","10.1039/c3ce41582a","","","1.54184","CuKα","","0.0457","0.045","","","0.1469","0.1473","","","","","","1.147","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211415","22.718","0.0013","11.7263","0.0004","22.8679","0.0012","90","","118.173","0.007","90","","5370.2","0.6","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H50 Li N10 O7 Tb -","- C60 H50.409 Li N10 O7 Tb -","- C240 H201.636 Li4 N40 O28 Tb4 -","4","1","","Ma, Qi; Feng, Xuenan; Cao, Wei; Wang, Hailong; Jiang, Jianzhuang","Mixed (phthalocyanine)(Schiff-base) terbium(iii)‒alkali metal(i)/zinc(ii) complexes: synthesis, structures, and spectroscopic properties","CrystEngComm","2013","15","47","10383","","10.1039/c3ce41619d","","","0.71073","MoKα","","0.0745","0.0487","","","0.128","0.1393","","","","","","1.045","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211416","8.3","0.0007","28.445","0.0003","18.869","0.0006","90","","90","","90","","4454.8","0.4","149.95","0.1","149.95","0.1","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C55 H38 N10 Na O5 Tb -","- C55 H38 N10 Na O5 Tb -","- C220 H152 N40 Na4 O20 Tb4 -","4","0.5","","Ma, Qi; Feng, Xuenan; Cao, Wei; Wang, Hailong; Jiang, Jianzhuang","Mixed (phthalocyanine)(Schiff-base) terbium(iii)‒alkali metal(i)/zinc(ii) complexes: synthesis, structures, and spectroscopic properties","CrystEngComm","2013","15","47","10383","","10.1039/c3ce41619d","","","0.71069","MoKα","","0.0372","0.0273","","","0.0615","0.0651","","","","","","1.092","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211417","8.4313","0.0003","28.1513","0.001","18.9773","0.0006","90","","90","","90","","4504.3","0.3","149.95","0.1","149.95","0.1","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C55 H38 K N10 O5 Tb -","- C55 H38 K N10 O5 Tb -","- C220 H152 K4 N40 O20 Tb4 -","4","0.5","","Ma, Qi; Feng, Xuenan; Cao, Wei; Wang, Hailong; Jiang, Jianzhuang","Mixed (phthalocyanine)(Schiff-base) terbium(iii)‒alkali metal(i)/zinc(ii) complexes: synthesis, structures, and spectroscopic properties","CrystEngComm","2013","15","47","10383","","10.1039/c3ce41619d","","","0.71073","MoKα","","0.073","0.0451","","","0.0736","0.0798","","","","","","1.047","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211418","8.4628","0.0005","28.0868","0.0009","19.0589","0.0007","90","","90","","90","","4530.2","0.3","150","1","150","1","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C55 H38 N10 O5 Rb Tb -","- C55 H38 N10 O5 Rb Tb -","- C220 H152 N40 O20 Rb4 Tb4 -","4","0.5","","Ma, Qi; Feng, Xuenan; Cao, Wei; Wang, Hailong; Jiang, Jianzhuang","Mixed (phthalocyanine)(Schiff-base) terbium(iii)‒alkali metal(i)/zinc(ii) complexes: synthesis, structures, and spectroscopic properties","CrystEngComm","2013","15","47","10383","","10.1039/c3ce41619d","","","0.71069","MoKα","","0.1025","0.0543","","","0.0788","0.0906","","","","","","0.944","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211419","8.0865","0.0002","28.952","0.0012","19.304","0.0005","90","","90","","90","","4519.5","0.2","149.95","0.1","149.95","0.1","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C55 H34 Cs N10 O5 Tb -","- C55 H34 Cs N10 O5 Tb -","- C220 H136 Cs4 N40 O20 Tb4 -","4","0.5","","Ma, Qi; Feng, Xuenan; Cao, Wei; Wang, Hailong; Jiang, Jianzhuang","Mixed (phthalocyanine)(Schiff-base) terbium(iii)‒alkali metal(i)/zinc(ii) complexes: synthesis, structures, and spectroscopic properties","CrystEngComm","2013","15","47","10383","","10.1039/c3ce41619d","","","0.71073","MoKα","","0.0588","0.0417","","","0.1086","0.1154","","","","","","1.045","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211420","13.1038","0.0003","32.3516","0.0006","15.5736","0.0004","90","","105.086","0.002","90","","6374.6","0.3","149.95","0.1","149.95","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70 H60 N13 O10 Tb Zn -","- C70 H60 N13 O10 Tb Zn -","- C280 H240 N52 O40 Tb4 Zn4 -","4","1","","Ma, Qi; Feng, Xuenan; Cao, Wei; Wang, Hailong; Jiang, Jianzhuang","Mixed (phthalocyanine)(Schiff-base) terbium(iii)‒alkali metal(i)/zinc(ii) complexes: synthesis, structures, and spectroscopic properties","CrystEngComm","2013","15","47","10383","","10.1039/c3ce41619d","","","0.71073","MoKα","","0.1119","0.0666","","","0.145","0.1619","","","","","","0.977","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211421","9.7536","0.0012","11.3569","0.0017","15.934","0.003","90","","107.79","0.011","90","","1680.6","0.5","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 N3 O7 Zn -","- C15 H16 N3 O7 Zn -","- C60 H64 N12 O28 Zn4 -","4","1","","Cheng, Pei-Chi; Wu, Ming-Hao; Xie, Ming-Yuan; Huang, Wun-Jhih; He, Hsiu-Yi; Wu, Tsung-Tai; Lo, Yang-Chih; Proserpio, Davide M.; Chen, Jhy-Der","Construction of N,N′-di(3-pyridyl)adipoamide-based Zn(ii) and Cd(ii) coordination networks by tuning the isomeric effect of polycarboxylate ligands","CrystEngComm","2013","15","47","10346","","10.1039/c3ce41622d","","","0.71073","MoKα","","0.0446","0.0338","","","0.0747","0.08","","","","","","1.058","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211422","16.031","0.003","7.3539","0.0008","13.9631","0.0007","90","","109.457","0.007","90","","1552.1","0.4","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 N3 O5 Zn -","- C15 H12 N3 O5 Zn -","- C60 H48 N12 O20 Zn4 -","4","1","","Cheng, Pei-Chi; Wu, Ming-Hao; Xie, Ming-Yuan; Huang, Wun-Jhih; He, Hsiu-Yi; Wu, Tsung-Tai; Lo, Yang-Chih; Proserpio, Davide M.; Chen, Jhy-Der","Construction of N,N′-di(3-pyridyl)adipoamide-based Zn(ii) and Cd(ii) coordination networks by tuning the isomeric effect of polycarboxylate ligands","CrystEngComm","2013","15","47","10346","","10.1039/c3ce41622d","","","0.71073","MoKα","","0.0344","0.0273","","","0.0685","0.0727","","","","","","1.063","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211423","12.0604","0.0013","9.1735","0.001","17.818","0.003","90","","100.645","0.012","90","","1937.4","0.4","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H22 N3 O10 Zn -","- C15 H22 N3 O10 Zn -","- C60 H88 N12 O40 Zn4 -","4","1","","Cheng, Pei-Chi; Wu, Ming-Hao; Xie, Ming-Yuan; Huang, Wun-Jhih; He, Hsiu-Yi; Wu, Tsung-Tai; Lo, Yang-Chih; Proserpio, Davide M.; Chen, Jhy-Der","Construction of N,N′-di(3-pyridyl)adipoamide-based Zn(ii) and Cd(ii) coordination networks by tuning the isomeric effect of polycarboxylate ligands","CrystEngComm","2013","15","47","10346","","10.1039/c3ce41622d","","","0.71073","MoKα","","0.0436","0.0338","","","0.0833","0.0885","","","","","","1.039","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211424","10.524","0.0004","11.2622","0.0005","12.3561","0.0005","72.554","0.002","74.971","0.002","83.246","0.002","1348.07","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H31 Cd N5 O11 -","- C23 H25 Cd N5 O11 -","- C46 H50 Cd2 N10 O22 -","2","1","","Cheng, Pei-Chi; Wu, Ming-Hao; Xie, Ming-Yuan; Huang, Wun-Jhih; He, Hsiu-Yi; Wu, Tsung-Tai; Lo, Yang-Chih; Proserpio, Davide M.; Chen, Jhy-Der","Construction of N,N′-di(3-pyridyl)adipoamide-based Zn(ii) and Cd(ii) coordination networks by tuning the isomeric effect of polycarboxylate ligands","CrystEngComm","2013","15","47","10346","","10.1039/c3ce41622d","","","0.71073","MoKα","","0.0277","0.0238","","","0.0624","0.0652","","","","","","1.029","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211425","11.6305","0.0017","15.905","0.003","13.6118","0.0015","90","","95.368","0.014","90","","2506.9","0.7","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 N4 O8 Zn -","- C25 H22 N4 O8 Zn -","- C100 H88 N16 O32 Zn4 -","4","1","","Cheng, Pei-Chi; Wu, Ming-Hao; Xie, Ming-Yuan; Huang, Wun-Jhih; He, Hsiu-Yi; Wu, Tsung-Tai; Lo, Yang-Chih; Proserpio, Davide M.; Chen, Jhy-Der","Construction of N,N′-di(3-pyridyl)adipoamide-based Zn(ii) and Cd(ii) coordination networks by tuning the isomeric effect of polycarboxylate ligands","CrystEngComm","2013","15","47","10346","","10.1039/c3ce41622d","","","0.71073","MoKα","","0.0451","0.0312","","","0.0684","0.0739","","","","","","1.049","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211426","11.3111","0.0002","13.8834","0.0003","16.8506","0.0003","90","","99.992","0.001","90","","2606.02","0.09","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H26 Cd N4 O10 -","- C25 H26 Cd N4 O10 -","- C100 H104 Cd4 N16 O40 -","4","2","","Cheng, Pei-Chi; Wu, Ming-Hao; Xie, Ming-Yuan; Huang, Wun-Jhih; He, Hsiu-Yi; Wu, Tsung-Tai; Lo, Yang-Chih; Proserpio, Davide M.; Chen, Jhy-Der","Construction of N,N′-di(3-pyridyl)adipoamide-based Zn(ii) and Cd(ii) coordination networks by tuning the isomeric effect of polycarboxylate ligands","CrystEngComm","2013","15","47","10346","","10.1039/c3ce41622d","","","0.71073","MoKα","","0.1255","0.0579","","","0.0658","0.0806","","","","","","0.993","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211427","11.5273","0.0001","9.0488","0.0001","18.0697","0.0002","90","","97.707","0.001","90","","1867.79","0.03","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C17 H17 Cd N2 O9 -","- C17 H16 Cd N2 O9 -","- C68 H64 Cd4 N8 O36 -","4","1","","Cheng, Pei-Chi; Wu, Ming-Hao; Xie, Ming-Yuan; Huang, Wun-Jhih; He, Hsiu-Yi; Wu, Tsung-Tai; Lo, Yang-Chih; Proserpio, Davide M.; Chen, Jhy-Der","Construction of N,N′-di(3-pyridyl)adipoamide-based Zn(ii) and Cd(ii) coordination networks by tuning the isomeric effect of polycarboxylate ligands","CrystEngComm","2013","15","47","10346","","10.1039/c3ce41622d","","","0.71073","MoKα","","0.0326","0.0253","","","0.0602","0.0634","","","","","","1.048","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211428","6.0834","0.0009","20.891","0.002","16.21","0.002","90","","94.148","0.012","90","","2054.7","0.4","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H20 N2 O11 Zn1.5 -","- C17 H14 N2 O11 Zn1.5 -","- C68 H56 N8 O44 Zn6 -","4","1","","Cheng, Pei-Chi; Wu, Ming-Hao; Xie, Ming-Yuan; Huang, Wun-Jhih; He, Hsiu-Yi; Wu, Tsung-Tai; Lo, Yang-Chih; Proserpio, Davide M.; Chen, Jhy-Der","Construction of N,N′-di(3-pyridyl)adipoamide-based Zn(ii) and Cd(ii) coordination networks by tuning the isomeric effect of polycarboxylate ligands","CrystEngComm","2013","15","47","10346","","10.1039/c3ce41622d","","","0.71073","MoKα","","0.0718","0.0421","","","0.095","0.1077","","","","","","1.041","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7211429","9.5341","0.0007","9.9276","0.0007","11.9991","0.0009","88.762","0.003","77.544","0.003","85.953","0.003","1106.2","0.14","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H48 Cu2 N6 O18 U -","- C40 H48 Cu2 N6 O18 U -","- C40 H48 Cu2 N6 O18 U -","1","0.5","","Bhattacharya, Sagarika; Jana, Arpita; Mohanta, Sasankasekhar","Crystal structures of discrete, one-dimensional and cocrystalline copper(ii)‒uranyl(vi) systems: the influence of the reactant ratio in the competition between hydrogen bonds and coordinate bonds","CrystEngComm","2013","15","47","10374","","10.1039/c3ce41625a","","","0.71073","MoKα","","0.0297","0.0294","","","0.0808","0.0813","","","","","","1.1","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211430","9.1507","0.0008","15.0173","0.0012","10.8775","0.0009","90","","102.155","0.003","90","","1461.3","0.2","296","2","296","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C23 H27 Cu N5 O12 U -","- C23 H27 Cu N5 O12 U -","- C46 H54 Cu2 N10 O24 U2 -","2","0.5","","Bhattacharya, Sagarika; Jana, Arpita; Mohanta, Sasankasekhar","Crystal structures of discrete, one-dimensional and cocrystalline copper(ii)‒uranyl(vi) systems: the influence of the reactant ratio in the competition between hydrogen bonds and coordinate bonds","CrystEngComm","2013","15","47","10374","","10.1039/c3ce41625a","","","0.71073","MoKα","","0.0601","0.0424","","","0.1034","0.1162","","","","","","1.041","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211431","14.195","0.0015","14.5483","0.0015","15.8562","0.0016","64.927","0.004","74.116","0.004","63.15","0.004","2632.4","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H51 Cu2 N9 O19 U -","- C48 H51 Cu2 N9 O19 U -","- C96 H102 Cu4 N18 O38 U2 -","2","1","","Bhattacharya, Sagarika; Jana, Arpita; Mohanta, Sasankasekhar","Crystal structures of discrete, one-dimensional and cocrystalline copper(ii)‒uranyl(vi) systems: the influence of the reactant ratio in the competition between hydrogen bonds and coordinate bonds","CrystEngComm","2013","15","47","10374","","10.1039/c3ce41625a","","","0.71073","MoKα","","0.0583","0.0398","","","0.1099","0.1261","","","","","","1.005","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211432","14.6991","0.0017","16.299","0.002","23.209","0.003","90","","96.525","0.005","90","","5524.4","1.2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H19 Cu N5 O18 U2 -","- C18 H19 Cu N5 O18 U2 -","- C144 H152 Cu8 N40 O144 U16 -","8","1","","Bhattacharya, Sagarika; Jana, Arpita; Mohanta, Sasankasekhar","Crystal structures of discrete, one-dimensional and cocrystalline copper(ii)‒uranyl(vi) systems: the influence of the reactant ratio in the competition between hydrogen bonds and coordinate bonds","CrystEngComm","2013","15","47","10374","","10.1039/c3ce41625a","","","0.71073","MoKα","","0.0949","0.0434","","","0.0867","0.1076","","","","","","1.011","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211433","12.493","0.0017","10.3764","0.0014","18.9139","0.0018","90","","121.136","0.006","90","","2098.6","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H26 Cu N2 O5 -","- C21 H26 Cu N2 O5 -","- C84 H104 Cu4 N8 O20 -","4","1","","Bhattacharya, Sagarika; Jana, Arpita; Mohanta, Sasankasekhar","Crystal structures of discrete, one-dimensional and cocrystalline copper(ii)‒uranyl(vi) systems: the influence of the reactant ratio in the competition between hydrogen bonds and coordinate bonds","CrystEngComm","2013","15","47","10374","","10.1039/c3ce41625a","","","0.71073","MoKα","","0.0729","0.0448","","","0.0997","0.1117","","","","","","1.023","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211434","13.4533","0.0005","9.833","0.0004","22.8428","0.0009","90","","93.222","0.005","90","","3017","0.2","130","1","130","1","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C19 H12 F2 O3 -","- C19 H12 F2 O3 -","- C152 H96 F16 O24 -","8","4","","Owczarzak, Anita M.; Samshuddin, Seranthimata; Narayana, Badiadka; Yathirajan, Hemmige S.; Kubicki, Maciej","Pseudosymmetry, polymorphism and weak interactions: 4,4′′-difluoro-5′-hydroxy-1,1′:3′,1′′-terphenyl-4′-carboxylic acid and its derivatives","CrystEngComm","2013","15","46","9893","","10.1039/c3ce41639a","","","1.54178","CuKα","","0.0341","0.0332","","","0.0909","0.0922","","","","","","1.016","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211435","7.3019","0.0006","10.2526","0.0009","13.043","0.001","94.613","0.007","103.996","0.007","110.709","0.008","871.3","0.14","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H16 F2 O3 -","- C21 H16 F2 O3 -","- C42 H32 F4 O6 -","2","1","","Owczarzak, Anita M.; Samshuddin, Seranthimata; Narayana, Badiadka; Yathirajan, Hemmige S.; Kubicki, Maciej","Pseudosymmetry, polymorphism and weak interactions: 4,4′′-difluoro-5′-hydroxy-1,1′:3′,1′′-terphenyl-4′-carboxylic acid and its derivatives","CrystEngComm","2013","15","46","9893","","10.1039/c3ce41639a","","","0.71073","MoKα","","0.0744","0.0497","","","0.1161","0.1323","","","","","","1.047","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211436","6.9778","0.0003","11.1289","0.0005","11.5383","0.0005","96.213","0.003","98.252","0.004","93.542","0.004","878.8","0.07","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H16 F2 O3 -","- C21 H16 F2 O3 -","- C42 H32 F4 O6 -","2","1","","Owczarzak, Anita M.; Samshuddin, Seranthimata; Narayana, Badiadka; Yathirajan, Hemmige S.; Kubicki, Maciej","Pseudosymmetry, polymorphism and weak interactions: 4,4′′-difluoro-5′-hydroxy-1,1′:3′,1′′-terphenyl-4′-carboxylic acid and its derivatives","CrystEngComm","2013","15","46","9893","","10.1039/c3ce41639a","","","0.71073","MoKα","","0.0853","0.048","","","0.1007","0.1134","","","","","","0.983","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211437","5.6775","0.0003","30.6798","0.0009","9.5451","0.0004","90","","105.898","0.004","90","","1599.02","0.12","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 F2 N2 O2 -","- C19 H14 F2 N2 O2 -","- C76 H56 F8 N8 O8 -","4","1","","Owczarzak, Anita M.; Samshuddin, Seranthimata; Narayana, Badiadka; Yathirajan, Hemmige S.; Kubicki, Maciej","Pseudosymmetry, polymorphism and weak interactions: 4,4′′-difluoro-5′-hydroxy-1,1′:3′,1′′-terphenyl-4′-carboxylic acid and its derivatives","CrystEngComm","2013","15","46","9893","","10.1039/c3ce41639a","","","1.54178","CuKα","","0.0426","0.0401","","","0.1058","0.1084","","","","","","1.039","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211438","13.4187","0.0006","9.2108","0.0004","23.0093","0.0009","90","","94.022","0.004","90","","2836.9","0.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H15 N2 O4 -","- C17 H15 N2 O4 -","- C136 H120 N16 O32 -","8","1","","d'Agostino, Simone; Grepioni, Fabrizia; Braga, Dario; Moreschi, Daniele; Fattori, Valeria; Delchiaro, Francesca; Di Motta, Simone; Negri, Fabrizia","Exciton coupling in molecular salts of 2-(1,8-naphthalimido)ethanoic acid and cyclic amines: modulation of the solid-state luminescence","CrystEngComm","2013","15","48","10470","","10.1039/c3ce41651h","","","0.71073","MoKα","","0.1124","0.0556","","","0.1224","0.1397","","","","","","1.04","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211439","8.1505","0.0006","8.9476","0.0008","16.1219","0.0012","75.732","0.007","85.986","0.006","77.938","0.007","1114.09","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H30 N2 O8 -","- C21 H30 N2 O8 -","- C42 H60 N4 O16 -","2","1","","d'Agostino, Simone; Grepioni, Fabrizia; Braga, Dario; Moreschi, Daniele; Fattori, Valeria; Delchiaro, Francesca; Di Motta, Simone; Negri, Fabrizia","Exciton coupling in molecular salts of 2-(1,8-naphthalimido)ethanoic acid and cyclic amines: modulation of the solid-state luminescence","CrystEngComm","2013","15","48","10470","","10.1039/c3ce41651h","","","0.71073","MoKα","","0.1434","0.0574","","","0.1052","0.1345","","","","","","0.972","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211440","9.2171","0.0008","13.7702","0.001","16.1954","0.0014","78.083","0.007","79.755","0.007","81.159","0.007","1964.5","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H25 N2 O6.5 -","- C21 H25 N2 O6.5 -","- C84 H100 N8 O26 -","4","2","","d'Agostino, Simone; Grepioni, Fabrizia; Braga, Dario; Moreschi, Daniele; Fattori, Valeria; Delchiaro, Francesca; Di Motta, Simone; Negri, Fabrizia","Exciton coupling in molecular salts of 2-(1,8-naphthalimido)ethanoic acid and cyclic amines: modulation of the solid-state luminescence","CrystEngComm","2013","15","48","10470","","10.1039/c3ce41651h","","","0.71073","MoKα","","0.3463","0.0984","","","0.1469","0.2268","","","","","","0.913","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211441","16.0482","0.0016","6.7332","0.0006","14.503","0.0019","90","","100.002","0.012","90","","1543.3","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 N4 O12 -","- C32 H36 N4 O12 -","- C64 H72 N8 O24 -","2","0.5","","d'Agostino, Simone; Grepioni, Fabrizia; Braga, Dario; Moreschi, Daniele; Fattori, Valeria; Delchiaro, Francesca; Di Motta, Simone; Negri, Fabrizia","Exciton coupling in molecular salts of 2-(1,8-naphthalimido)ethanoic acid and cyclic amines: modulation of the solid-state luminescence","CrystEngComm","2013","15","48","10470","","10.1039/c3ce41651h","","","0.71073","MoKα","","0.1919","0.0642","","","0.0997","0.1411","","","","","","0.958","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211442","7.0586","0.0004","11.6096","0.0004","12.8621","0.0007","90","","92.413","0.005","90","","1053.08","0.09","150","2","150","2","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N4 -","- C12 H10 N4 -","- C48 H40 N16 -","4","1","","Waidmann, Thomas; Fritsch, Nico; Tucher, Johannes; Rudolf, Marc; Glaser, Felix; Guldi, Dirk M.; Burzlaff, Nicolai","Battlement-shaped 1D coordination polymer based on a bis(N-methylimidazole-2-yl)butadiyne ligand","CrystEngComm","2013","15","47","10157","","10.1039/c3ce41652f","","x-ray","0.71073","MoKα","","0.0443","0.0387","","","0.0958","0.0993","","","","","","1.068","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211443","8.0568","0.001","10.3125","0.001","16.0151","0.0016","98.594","0.008","94.875","0.009","93.583","0.009","1307.1","0.2","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C44 H50 N8 O20 Zn5 -","- C44 H50 N8 O20 Zn5 -","- C44 H50 N8 O20 Zn5 -","1","0.5","","Waidmann, Thomas; Fritsch, Nico; Tucher, Johannes; Rudolf, Marc; Glaser, Felix; Guldi, Dirk M.; Burzlaff, Nicolai","Battlement-shaped 1D coordination polymer based on a bis(N-methylimidazole-2-yl)butadiyne ligand","CrystEngComm","2013","15","47","10157","","10.1039/c3ce41652f","","x-ray","0.71073","MoKα","","0.0931","0.053","","","0.1122","0.1285","","","","","","1.015","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211444","5.5732","0.0006","5.5732","0.0006","25.339","0.004","90","","90","","120","","681.6","0.15","293","2","293","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- H2 I4 K4 O27 V4 Zn4 -","- I4 K4 O27 V4 Zn4 -","- I4 K4 O27 V4 Zn4 -","1","0.0833333","","Yang, Bing-Ping; Xu, Xiang; Huang, Chao; Mao, Jiang-Gao","K4TM4(V2O7)2(IO3)4(H2O) (TM = Zn, Ni, Co): a series of quinary mixed metal‒vanadium(v)‒iodates","CrystEngComm","2013","15","48","10464","","10.1039/c3ce41653d","","","0.71073","MoKα","","0.0387","0.0347","","","0.07","0.0717","","","","","","1.23","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211445","5.5379","0.0002","5.5379","0.0002","25.931","0.002","90","","90","","120","","688.72","0.06","293","2","293","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- H2 I4 K4 Ni4 O27 V4 -","- I4 K3.992 Ni4 O27 V4 -","- I4 K3.992 Ni4 O27 V4 -","1","0.0833333","","Yang, Bing-Ping; Xu, Xiang; Huang, Chao; Mao, Jiang-Gao","K4TM4(V2O7)2(IO3)4(H2O) (TM = Zn, Ni, Co): a series of quinary mixed metal‒vanadium(v)‒iodates","CrystEngComm","2013","15","48","10464","","10.1039/c3ce41653d","","","0.71073","MoKα","","0.0521","0.0512","","","0.0968","0.0972","","","","","","1.391","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211446","5.584","0.0002","5.584","0.0002","25.991","0.002","90","","90","","120","","701.85","0.06","293","2","293","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- Co4 H2 I4 K4 O27 V4 -","- Co4 I4 K4.002 O27 V4 -","- Co4 I4 K4.002 O27 V4 -","1","0.0833333","","Yang, Bing-Ping; Xu, Xiang; Huang, Chao; Mao, Jiang-Gao","K4TM4(V2O7)2(IO3)4(H2O) (TM = Zn, Ni, Co): a series of quinary mixed metal‒vanadium(v)‒iodates","CrystEngComm","2013","15","48","10464","","10.1039/c3ce41653d","","","0.71073","MoKα","","0.0279","0.027","","","0.0689","0.0697","","","","","","1.212","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211447","10.0459","0.0002","11.4179","0.0003","15.4175","0.0003","90","","90","","90","","1768.43","0.07","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 Bi N3 O4 S2 -","- C14 H14 Bi N3 O4 S2 -","- C56 H56 Bi4 N12 O16 S8 -","4","1","","Sun, Yan-Qiong; Ge, Su-Zhi; Liu, Qi; Zhong, Jie-Cen; Chen, Yi-Ping","A novel 3-D chiral bismuth‒organic framework with mixed carboxylate, pyridine and thiolate donors exhibiting a semiconductive property","CrystEngComm","2013","15","47","10188","","10.1039/c3ce41696h","","","0.71073","MoKα","","0.0364","0.0277","","","0.0547","0.058","","","","","","1.017","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211448","9.2244","0.0013","12.2312","0.0017","14.169","0.002","85.858","0.002","73.698","0.002","75.367","0.002","1484.6","0.4","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H30 N6 O7 -","- C33 H30 N6 O7 -","- C66 H60 N12 O14 -","2","1","","Wang, Jungang; Xiang, Jiachen; Wu, Anxin; Meng, Xianggao","Robust R22(8) hydrogen bonded dimer for crystal engineering of glycoluril derivatives","CrystEngComm","2013","15","46","10079","","10.1039/c3ce41702f","","","0.71073","MoKα","","0.0787","0.0618","","","0.1429","0.153","","","","","","1.058","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211449","9.24","0.004","12.251","0.005","14.291","0.006","85.662","0.007","74.595","0.006","75.064","0.006","1506.9","1.1","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H32 N6 O7 -","- C34 H32 N6 O7 -","- C68 H64 N12 O14 -","2","1","","Wang, Jungang; Xiang, Jiachen; Wu, Anxin; Meng, Xianggao","Robust R22(8) hydrogen bonded dimer for crystal engineering of glycoluril derivatives","CrystEngComm","2013","15","46","10079","","10.1039/c3ce41702f","","","0.71073","MoKα","","0.09","0.0686","","","0.2084","0.2248","","","","","","1.085","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211450","9.0028","0.0007","12.1877","0.0009","14.2782","0.001","82.971","0.001","76.802","0.001","76.409","0.001","1478.65","0.19","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H28 N6 O7 -","- C32 H28 N6 O7 -","- C64 H56 N12 O14 -","2","1","","Wang, Jungang; Xiang, Jiachen; Wu, Anxin; Meng, Xianggao","Robust R22(8) hydrogen bonded dimer for crystal engineering of glycoluril derivatives","CrystEngComm","2013","15","46","10079","","10.1039/c3ce41702f","","","0.71073","MoKα","","0.0817","0.0622","","","0.1621","0.1733","","","","","","1.065","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211451","10.593","0.004","13.595","0.005","13.825","0.005","116.453","0.005","102.398","0.007","100.412","0.006","1651.7","1.1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H32 N6 O7 S -","- C34 H32 N6 O7 S -","- C68 H64 N12 O14 S2 -","2","1","","Wang, Jungang; Xiang, Jiachen; Wu, Anxin; Meng, Xianggao","Robust R22(8) hydrogen bonded dimer for crystal engineering of glycoluril derivatives","CrystEngComm","2013","15","46","10079","","10.1039/c3ce41702f","","","0.71073","MoKα","","0.1355","0.0812","","","0.2056","0.2365","","","","","","0.998","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211452","8.981","0.0009","12.4978","0.0012","20.847","0.002","84.296","0.002","78.149","0.002","76.41","0.002","2222.7","0.4","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C51 H46 N6 O9 -","- C51 H46 N6 O9 -","- C102 H92 N12 O18 -","2","1","","Wang, Jungang; Xiang, Jiachen; Wu, Anxin; Meng, Xianggao","Robust R22(8) hydrogen bonded dimer for crystal engineering of glycoluril derivatives","CrystEngComm","2013","15","46","10079","","10.1039/c3ce41702f","","","0.71073","MoKα","","0.0796","0.0681","","","0.1556","0.1626","","","","","","1.104","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211453","9.118","0.003","12.291","0.004","20.327","0.006","82.842","0.006","79.34","0.006","75.048","0.005","2155.8","1.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H38 N6 O8 -","- C48 H38 N6 O8 -","- C96 H76 N12 O16 -","2","1","","Wang, Jungang; Xiang, Jiachen; Wu, Anxin; Meng, Xianggao","Robust R22(8) hydrogen bonded dimer for crystal engineering of glycoluril derivatives","CrystEngComm","2013","15","46","10079","","10.1039/c3ce41702f","","","0.71073","MoKα","","0.1649","0.1185","","","0.2315","0.2539","","","","","","1.158","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211454","8.6103","0.0013","31.467","0.005","16.826","0.003","90","","103.106","0.003","90","","4440.1","1.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C51 H41 N7 O7 -","- C51 H41 N7 O7 -","- C204 H164 N28 O28 -","4","1","","Wang, Jungang; Xiang, Jiachen; Wu, Anxin; Meng, Xianggao","Robust R22(8) hydrogen bonded dimer for crystal engineering of glycoluril derivatives","CrystEngComm","2013","15","46","10079","","10.1039/c3ce41702f","","","0.71073","MoKα","","0.0687","0.0472","","","0.1312","0.1528","","","","","","1.051","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211455","16.411","0.003","13.323","0.003","15.828","0.003","90","","98.087","0.003","90","","3426.3","1.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H33 Dy Fe N11 O6 -","- C27 H33 Dy Fe N11 O6 -","- C108 H132 Dy4 Fe4 N44 O24 -","4","1","","Muddassir, Mohd.; Song, Xiao-Jiao; Chen, Ying; Cao, Fan; Wei, Rong-Min; Song, You","Ion-induced diversity in structure and magnetic properties of hexacyanometalate‒lanthanide bimetallic assemblies","CrystEngComm","2013","15","48","10541","","10.1039/c3ce41704b","","","0.71073","MoKα","","0.0278","0.0221","","","0.0521","0.0546","","","","","","1.017","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211456","16.362","0.002","13.2326","0.0017","15.67","0.002","90","","98.246","0.002","90","","3357.7","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H33 Co Dy N11 O6 -","- C27 H33 Co Dy N11 O6 -","- C108 H132 Co4 Dy4 N44 O24 -","4","1","","Muddassir, Mohd.; Song, Xiao-Jiao; Chen, Ying; Cao, Fan; Wei, Rong-Min; Song, You","Ion-induced diversity in structure and magnetic properties of hexacyanometalate‒lanthanide bimetallic assemblies","CrystEngComm","2013","15","48","10541","","10.1039/c3ce41704b","","","0.71073","MoKα","","0.0877","0.0429","","","0.0719","0.0813","","","","","","1.017","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211457","10.2315","0.0017","13.364","0.002","13.475","0.002","94.491","0.002","111.353","0.002","101.917","0.002","1655","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H64 Fe2 Ho2 N20 O14 -","- C50 H64 Fe2 Ho2 N20 O14 -","- C50 H64 Fe2 Ho2 N20 O14 -","1","0.5","","Muddassir, Mohd.; Song, Xiao-Jiao; Chen, Ying; Cao, Fan; Wei, Rong-Min; Song, You","Ion-induced diversity in structure and magnetic properties of hexacyanometalate‒lanthanide bimetallic assemblies","CrystEngComm","2013","15","48","10541","","10.1039/c3ce41704b","","","0.71073","MoKα","","0.0355","0.0299","","","0.0837","0.1024","","","","","","1.129","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211458","10.179","0.002","13.196","0.003","13.425","0.003","93.782","0.004","111.077","0.002","102.158","0.003","1624.9","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H66 Co2 Ho2 N20 O15 -","- C50 H66 Co2 Ho2 N20 O15 -","- C50 H66 Co2 Ho2 N20 O15 -","1","0.5","","Muddassir, Mohd.; Song, Xiao-Jiao; Chen, Ying; Cao, Fan; Wei, Rong-Min; Song, You","Ion-induced diversity in structure and magnetic properties of hexacyanometalate‒lanthanide bimetallic assemblies","CrystEngComm","2013","15","48","10541","","10.1039/c3ce41704b","","","0.71073","MoKα","","0.0304","0.026","","","0.0806","0.1027","","","","","","1.228","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211459","15.8147","0.0005","18.6849","0.0006","21.3439","0.0007","75.3559","0.0015","88.6776","0.0015","68.4075","0.0014","5656.8","0.3","100","2","100.01","","","","","","","","","5","P -1","-P 1","2","","","","- C100 H74 B2 F48 Se12 -","- C100 H74 B2 F48 Se12 -","- C200 H148 B4 F96 Se24 -","2","1","","Rosokha, Sergiy V.; Stern, Charlotte L.; Ritzert, Jeremy T.","π-Bonded molecular wires: self-assembly of mixed-valence cation-radical stacks within the nanochannels formed by inert tetrakis[3,5-bis(trifluoromethyl)phenyl]borate anions","CrystEngComm","2013","15","48","10638","","10.1039/c3ce41719k","","","1.54178","CuKα","","0.0507","0.0359","","","0.0835","0.0909","","","","","","1.028","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211460","14.3266","0.0008","14.8667","0.0009","20.0581","0.0011","90","","90","","90","","4272.2","0.4","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H28 B F24 N2 -","- C42 H28 B F24 N2 -","- C168 H112 B4 F96 N8 -","4","1","","Rosokha, Sergiy V.; Stern, Charlotte L.; Ritzert, Jeremy T.","π-Bonded molecular wires: self-assembly of mixed-valence cation-radical stacks within the nanochannels formed by inert tetrakis[3,5-bis(trifluoromethyl)phenyl]borate anions","CrystEngComm","2013","15","48","10638","","10.1039/c3ce41719k","","","1.54178","CuKα","","0.0556","0.0477","","","0.1226","0.1284","","","","","","1.041","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211461","15.022","0.012","32.94","0.03","13.667","0.01","90","","109.008","0.01","90","","6394","9","100","2","99.98","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C72 H36 B F24 -","- C72 H36 B F24 -","- C288 H144 B4 F96 -","4","0.5","","Rosokha, Sergiy V.; Stern, Charlotte L.; Ritzert, Jeremy T.","π-Bonded molecular wires: self-assembly of mixed-valence cation-radical stacks within the nanochannels formed by inert tetrakis[3,5-bis(trifluoromethyl)phenyl]borate anions","CrystEngComm","2013","15","48","10638","","10.1039/c3ce41719k","","","0.71073","MoKα","","0.0907","0.0555","","","0.144","0.1582","","","","","","1.071","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211462","16.96","0.004","32.662","0.007","14.213","0.003","90","","100.821","0.006","90","","7733","3","173","2","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C76 H64 B F24 -","- C76 H64 B F24 -","- C304 H256 B4 F96 -","4","1","","Rosokha, Sergiy V.; Stern, Charlotte L.; Ritzert, Jeremy T.","π-Bonded molecular wires: self-assembly of mixed-valence cation-radical stacks within the nanochannels formed by inert tetrakis[3,5-bis(trifluoromethyl)phenyl]borate anions","CrystEngComm","2013","15","48","10638","","10.1039/c3ce41719k","","","0.71073","MoKα","","0.1431","0.0698","","","0.1748","0.2007","","","","","","0.934","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211463","12.8081","0.0003","13.7618","0.0004","13.8612","0.0004","109.975","0.0013","90.7942","0.0013","97.8496","0.0013","2269.9","0.11","100","2","100.04","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H24 B F24 S4 -","- C42 H24 B F24 S4 -","- C84 H48 B2 F48 S8 -","2","1","","Rosokha, Sergiy V.; Stern, Charlotte L.; Ritzert, Jeremy T.","π-Bonded molecular wires: self-assembly of mixed-valence cation-radical stacks within the nanochannels formed by inert tetrakis[3,5-bis(trifluoromethyl)phenyl]borate anions","CrystEngComm","2013","15","48","10638","","10.1039/c3ce41719k","","","0.71073","MoKα","","0.0676","0.0424","","","0.096","0.1086","","","","","","1.035","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211464","16.355","0.004","33.297","0.009","14.053","0.004","90","","103.984","0.005","90","","7426","3","173","2","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C72 H60 B F24 -","- C72 H60 B F24 -","- C288 H240 B4 F96 -","4","1","","Rosokha, Sergiy V.; Stern, Charlotte L.; Ritzert, Jeremy T.","π-Bonded molecular wires: self-assembly of mixed-valence cation-radical stacks within the nanochannels formed by inert tetrakis[3,5-bis(trifluoromethyl)phenyl]borate anions","CrystEngComm","2013","15","48","10638","","10.1039/c3ce41719k","","","0.71073","MoKα","","0.1461","0.0752","","","0.1949","0.2202","","","","","","0.988","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211465","13.058","0.002","15.975","0.003","21.315","0.004","90","","93.417","0.004","90","","4438.4","1.4","173","2","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H18 B Cl2 F24 S4 -","- C39 H18 B Cl2 F24 S4 -","- C156 H72 B4 Cl8 F96 S16 -","4","1","","Rosokha, Sergiy V.; Stern, Charlotte L.; Ritzert, Jeremy T.","π-Bonded molecular wires: self-assembly of mixed-valence cation-radical stacks within the nanochannels formed by inert tetrakis[3,5-bis(trifluoromethyl)phenyl]borate anions","CrystEngComm","2013","15","48","10638","","10.1039/c3ce41719k","","","0.71073","MoKα","","0.1231","0.0648","","","0.144","0.1732","","","","","","1.016","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211466","14.6567","0.0003","14.6567","0.0003","14.6567","0.0003","90","","90","","90","","3148.54","0.11","293","2","293","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C16 H36 I6 N4 Pb -","- C16 H35.88 I6 N4 Pb -","- C64 H143.52 I24 N16 Pb4 -","4","0.166667","","Wang, Guan-E; Jiang, Xiao-Ming; Zhang, Ming-Jian; Chen, Hui-Fen; Liu, Bin-Wen; Wang, Ming-Sheng; Guo, Guo-Cong","Crystal structures and optical properties of iodoplumbates hybrids templated by in situ synthesized 1,4-diazabicyclo[2.2.2]octane derivatives","CrystEngComm","2013","15","47","10399","","10.1039/c3ce41720d","","","0.71073","MoKα","","0.0296","0.0296","","","0.076","0.076","","","","","","1.341","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211467","9.3555","0.0006","20.2788","0.0012","14.7688","0.001","90","","126.541","0.004","90","","2251.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H44 I10 N4 Pb3 -","- C20 H44 I10 N4 Pb3 -","- C40 H88 I20 N8 Pb6 -","2","0.5","","Wang, Guan-E; Jiang, Xiao-Ming; Zhang, Ming-Jian; Chen, Hui-Fen; Liu, Bin-Wen; Wang, Ming-Sheng; Guo, Guo-Cong","Crystal structures and optical properties of iodoplumbates hybrids templated by in situ synthesized 1,4-diazabicyclo[2.2.2]octane derivatives","CrystEngComm","2013","15","47","10399","","10.1039/c3ce41720d","","","0.71073","MoKα","","0.0371","0.0298","","","0.0588","0.0609","","","","","","0.948","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211468","10.839","0.004","20.008","0.006","12.216","0.004","90","","110.346","0.003","90","","2484","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H52 I10 N4 Pb3 -","- C24 H52 I10 N4 Pb3 -","- C48 H104 I20 N8 Pb6 -","2","0.5","","Wang, Guan-E; Jiang, Xiao-Ming; Zhang, Ming-Jian; Chen, Hui-Fen; Liu, Bin-Wen; Wang, Ming-Sheng; Guo, Guo-Cong","Crystal structures and optical properties of iodoplumbates hybrids templated by in situ synthesized 1,4-diazabicyclo[2.2.2]octane derivatives","CrystEngComm","2013","15","47","10399","","10.1039/c3ce41720d","","","0.71073","MoKα","","0.0599","0.0511","","","0.1383","0.1463","","","","","","1.108","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211469","10.1927","0.0004","10.1927","0.0004","14.8276","0.001","90","","90","","120","","1334.07","0.12","293","2","293","2","","","","","","","","6","P 63 m c","P 6c -2c","186","","","","- C6 H18 I6 N2 O Pb -","- C6 H14 I6 N2 O Pb -","- C12 H28 I12 N4 O2 Pb2 -","2","0.166667","","Wang, Guan-E; Jiang, Xiao-Ming; Zhang, Ming-Jian; Chen, Hui-Fen; Liu, Bin-Wen; Wang, Ming-Sheng; Guo, Guo-Cong","Crystal structures and optical properties of iodoplumbates hybrids templated by in situ synthesized 1,4-diazabicyclo[2.2.2]octane derivatives","CrystEngComm","2013","15","47","10399","","10.1039/c3ce41720d","","","0.71073","MoKα","","0.0297","0.0294","","","0.0791","0.0792","","","","","","1.166","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211470","15.5866","0.0006","32.6596","0.0015","9.4273","0.0004","90","","90","","90","","4799","0.4","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C36 H82 I24 N10 Pb7 -","- C36 H82 I24 N10 Pb7 -","- C72 H164 I48 N20 Pb14 -","2","0.5","","Wang, Guan-E; Jiang, Xiao-Ming; Zhang, Ming-Jian; Chen, Hui-Fen; Liu, Bin-Wen; Wang, Ming-Sheng; Guo, Guo-Cong","Crystal structures and optical properties of iodoplumbates hybrids templated by in situ synthesized 1,4-diazabicyclo[2.2.2]octane derivatives","CrystEngComm","2013","15","47","10399","","10.1039/c3ce41720d","","","0.71073","MoKα","","0.0323","0.0277","","","0.0425","0.0442","","","","","","0.886","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211471","9.1225","0.0011","22.378","0.003","15.398","0.002","90","","95.343","0.002","90","","3129.7","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H54 I12 N4 O Pb4 -","- C40 H54 I12 N4 O Pb4 -","- C80 H108 I24 N8 O2 Pb8 -","2","0.5","","Wang, Guan-E; Jiang, Xiao-Ming; Zhang, Ming-Jian; Chen, Hui-Fen; Liu, Bin-Wen; Wang, Ming-Sheng; Guo, Guo-Cong","Crystal structures and optical properties of iodoplumbates hybrids templated by in situ synthesized 1,4-diazabicyclo[2.2.2]octane derivatives","CrystEngComm","2013","15","47","10399","","10.1039/c3ce41720d","","","0.71073","MoKα","","0.0257","0.0219","","","0.0439","0.0448","","","","","","0.951","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211472","9.9838","0.0004","19.7383","0.0008","19.7279","0.0009","90","","106.96","0.003","90","","3718.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H28 Co N6 O4 -","- C44 H28 Co N6 O4 -","- C176 H112 Co4 N24 O16 -","4","1","","Yang, Juan; Liu, Junliang; Wang, Xin; Chi, Xiaolin; Zhang, Jinling; Zhang, Huayi; Xiao, Dongrong; Luo, Qunli","An unusual 3D 8-connected entangled coordination network with coexistence of self-threading, polythreading and interpenetration","CrystEngComm","2013","15","48","10435","","10.1039/c3ce41727a","","","0.71073","MoKα","","0.1663","0.0611","","","0.0887","0.1083","","","","","","1.117","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211473","21.96","0.004","7.655","0.0015","6.167","0.0012","90","","91.47","0.03","90","","1036.4","0.3","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C8 H20 Ce2 O22 S -","- C8 H20 Ce2 O22 S -","- C16 H40 Ce4 O44 S2 -","2","0.5","","Qi, Jin-Li; Zheng, Yue-Qing; Xu, Wei; Zhu, Hong-Lin; Lin, Jian-Li; Chang, Hai-Sheng","New Ce(iii) sulfate‒tartrate-based MOFs: an insight into the controllable self-assembly of acentric metal‒organic complexes","CrystEngComm","2013","15","48","10618","","10.1039/c3ce41740a","","","0.71073","MoKα","","0.0269","0.0268","","","0.0654","0.0655","","","","","","1.061","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211474","21.963","0.004","7.6577","0.0015","6.1689","0.0012","90","","91.48","0.03","90","","1037.2","0.3","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C8 H20 Ce2 O22 S -","- C8 H20 Ce2 O22 S -","- C16 H40 Ce4 O44 S2 -","2","0.5","","Qi, Jin-Li; Zheng, Yue-Qing; Xu, Wei; Zhu, Hong-Lin; Lin, Jian-Li; Chang, Hai-Sheng","New Ce(iii) sulfate‒tartrate-based MOFs: an insight into the controllable self-assembly of acentric metal‒organic complexes","CrystEngComm","2013","15","48","10618","","10.1039/c3ce41740a","","","0.71073","MoKα","","0.0291","0.0286","","","0.0652","0.0654","","","","","","1.09","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211475","7.6439","0.0015","22.013","0.004","6.1556","0.0012","90","","90","","90","","1035.8","0.3","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C8 H20 Ce2 O22 S -","- C8 H20 Ce2 O22 S -","- C16 H40 Ce4 O44 S2 -","2","0.5","","Qi, Jin-Li; Zheng, Yue-Qing; Xu, Wei; Zhu, Hong-Lin; Lin, Jian-Li; Chang, Hai-Sheng","New Ce(iii) sulfate‒tartrate-based MOFs: an insight into the controllable self-assembly of acentric metal‒organic complexes","CrystEngComm","2013","15","48","10618","","10.1039/c3ce41740a","","","0.71073","MoKα","","0.0399","0.0382","","","0.0629","0.0638","","","","","","1.073","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7211476","7.6486","0.0015","22.019","0.004","6.155","0.0012","90","","90","","90","","1036.6","0.3","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C8 H20 Ce2 O22 S -","- C8 H20 Ce2 O22 S -","- C16 H40 Ce4 O44 S2 -","2","0.5","","Qi, Jin-Li; Zheng, Yue-Qing; Xu, Wei; Zhu, Hong-Lin; Lin, Jian-Li; Chang, Hai-Sheng","New Ce(iii) sulfate‒tartrate-based MOFs: an insight into the controllable self-assembly of acentric metal‒organic complexes","CrystEngComm","2013","15","48","10618","","10.1039/c3ce41740a","","","0.71073","MoKα","","0.0206","0.0203","","","0.0493","0.0495","","","","","","1.048","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7211477","5.9704","0.0012","23.888","0.005","10.792","0.002","90","","105.03","0.03","90","","1486.5","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H10 Ce2 O17 S2 -","- C4 H10 Ce2 O17 S2 -","- C16 H40 Ce8 O68 S8 -","4","1","","Qi, Jin-Li; Zheng, Yue-Qing; Xu, Wei; Zhu, Hong-Lin; Lin, Jian-Li; Chang, Hai-Sheng","New Ce(iii) sulfate‒tartrate-based MOFs: an insight into the controllable self-assembly of acentric metal‒organic complexes","CrystEngComm","2013","15","48","10618","","10.1039/c3ce41740a","","","0.71073","MoKα","","0.0433","0.0346","","","0.0702","0.0733","","","","","","1.041","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211478","11.03","0.002","13.57","0.003","13.623","0.003","90","","113.4","0.03","90","","1871.3","0.8","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H32 Cu2 N8 O14 -","- C40 H32 Cu2 N8 O14 -","- C80 H64 Cu4 N16 O28 -","2","0.5","","Simões, Tatiana R. G.; do Pim, Walace D.; Silva, Ingrid F.; Oliveira, Willian X. C.; Pinheiro, Carlos B.; Pereira, Cynthia L. M.; Lloret, Francesc; Julve, Miguel; Stumpf, Humberto O.","Solvent-driven dimensionality control in molecular systems containing CuII, 2,2′-bipyridine and an oxamato-based ligand","CrystEngComm","2013","15","47","10165","","10.1039/c3ce41783b","","","1.5418","CuKα","","0.0548","0.0379","","","0.0903","0.1005","","","","","","1.036","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211479","13.5402","0.0008","11.3945","0.0007","16.0434","0.0009","90","","90","","90","","2475.2","0.3","293","2","293","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C21 H17 Cu N4 O7 S -","- C21 H17 Cu N4 O7 S -","- C84 H68 Cu4 N16 O28 S4 -","4","0.5","","Simões, Tatiana R. G.; do Pim, Walace D.; Silva, Ingrid F.; Oliveira, Willian X. C.; Pinheiro, Carlos B.; Pereira, Cynthia L. M.; Lloret, Francesc; Julve, Miguel; Stumpf, Humberto O.","Solvent-driven dimensionality control in molecular systems containing CuII, 2,2′-bipyridine and an oxamato-based ligand","CrystEngComm","2013","15","47","10165","","10.1039/c3ce41783b","","","0.71073","MoKα","","0.0777","0.0484","","","0.1289","0.1578","","","","","","0.816","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211480","22.9907","0.0019","22.9907","0.0019","22.9907","0.0019","90","","90","","90","","12152.2","1.7","200","2","200","2","","","","","","","","8","P 21 3","P 2ac 2ab 3","198","","","","- C36 H60 K6 N12 O62 Rh4 S12 Zn4 -","- C36 H60 K6 N12 O62 Rh4 S12 Zn4 -","- C144 H240 K24 N48 O248 Rh16 S48 Zn16 -","4","0.333333","","Yoshinari, Nobuto; Yamashita, Ukyo; Konno, Takumi","A 1 : 1 intercluster compound consisting of +6 and −6 charged RhIII4ZnII4 octanuclear cations and anions with aminothiolate ligands","CrystEngComm","2013","15","46","10016","","10.1039/c3ce41800f","","","0.7107","MoKα","","0.0614","0.06","","","0.1658","0.171","","","","","","1.113","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211481","23.6018","0.0003","26.1777","0.0005","28.6623","0.0005","90","","90","","90","","17708.7","0.5","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C60 H132 N24 O90 Rh8 S24 Zn8 -","- C60 H132 N24 O90 Rh8 S24 Zn8 -","- C240 H528 N96 O360 Rh32 S96 Zn32 -","4","1","","Yoshinari, Nobuto; Yamashita, Ukyo; Konno, Takumi","A 1 : 1 intercluster compound consisting of +6 and −6 charged RhIII4ZnII4 octanuclear cations and anions with aminothiolate ligands","CrystEngComm","2013","15","46","10016","","10.1039/c3ce41800f","","","0.71075","MoKα","","0.0796","0.0574","","","0.1147","0.1254","","","","","","1.082","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211482","5.178","0.004","7.208","0.005","8.889","0.007","90","","100.84","0.009","90","","325.8","0.4","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H6 Cu O6 -","- C4 H6 Cu O6 -","- C8 H12 Cu2 O12 -","2","0.5","","Yoneyama, Shota; Kodama, Takeshi; Kikuchi, Koichi; Kawabata, Yohei; Kikuchi, Kentaro; Ono, Toshio; Hosokoshi, Yuko; Fujita, Wataru","Large structural transformation and ferromagnetic ordering in a coordination polymer with a two-dimensional square-planar lattice, bis(glycolato)copper(ii)","CrystEngComm","2013","15","47","10193","","10.1039/c3ce41806e","","","0.71075","MoKα","","","0.0457","","","","0.1166","","","","","","1.118","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211483","5.0908","0.0008","8.6939","0.0012","7.73","0.0014","90","","107.141","0.008","90","","326.93","0.09","249","","249","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H6 Cu O6 -","- C4 H6 Cu O6 -","- C8 H12 Cu2 O12 -","2","0.5","","Yoneyama, Shota; Kodama, Takeshi; Kikuchi, Koichi; Kawabata, Yohei; Kikuchi, Kentaro; Ono, Toshio; Hosokoshi, Yuko; Fujita, Wataru","Large structural transformation and ferromagnetic ordering in a coordination polymer with a two-dimensional square-planar lattice, bis(glycolato)copper(ii)","CrystEngComm","2013","15","47","10193","","10.1039/c3ce41806e","","","0.71075","MoKα","","","0.0255","","","","0.064","","","","","","1.183","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211484","19.392","0.012","7.228","0.005","9.387","0.006","90","","90","","90","","1315.7","1.5","273","2","273","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C13 H9 Co N O5 -","- C13 H9 Co N O5 -","- C52 H36 Co4 N4 O20 -","4","0.25","","Liu, Yongxin; Liu, Dan; Yu, Yang; Xu, Jin; Han, Xiaohui; Wang, Cheng","Structural and magnetic investigation of CoII/MnII-based MIL-53 analogues with mixed ligands of neutral N-oxides and organic carboxylates","CrystEngComm","2013","15","48","10611","","10.1039/c3ce41824c","","","0.71073","MoKα","","0.0567","0.052","","","0.1593","0.162","","","","","","1.14","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211485","7.1654","0.0003","18.5414","0.0008","10.8922","0.0005","90","","90","","90","","1447.1","0.11","273","2","273","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C14 H11 Co N O5 -","- C14 H11 Co N O5 -","- C56 H44 Co4 N4 O20 -","4","0.5","","Liu, Yongxin; Liu, Dan; Yu, Yang; Xu, Jin; Han, Xiaohui; Wang, Cheng","Structural and magnetic investigation of CoII/MnII-based MIL-53 analogues with mixed ligands of neutral N-oxides and organic carboxylates","CrystEngComm","2013","15","48","10611","","10.1039/c3ce41824c","","","0.71073","MoKα","","0.0276","0.0255","","","0.0647","0.0656","","","","","","1.081","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211486","13.9309","0.0004","13.9309","0.0004","27.6863","0.0012","90","","90","","120","","4653.2","0.3","293","2","293","2","","","","","","","","5","P -3","-P 3","147","","","","- C12 H15 N15 O15 Zn9 -","- C12 H15 N15 O15 Zn9 -","- C72 H90 N90 O90 Zn54 -","6","1","","Wen, Jiong; Yang, Xiao-Gang; Guo, Wei; Liu, Chun-Sen; Du, Miao","A unique 3-D (3,18)-connected coordination framework based on a new type of {Zn18} double-stranded metallacrown","CrystEngComm","2013","15","47","10171","","10.1039/c3ce41828f","","","0.71073","MoKα","","0.0879","0.0557","","","0.1875","0.2221","","","","","","1.052","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211487","13.4158","0.0004","21.8551","0.0006","14.4779","0.0004","90","","92.291","0.003","90","","4241.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C104 H72 Cd3 O20 P2 -","- C104 H72 Cd3 O20 P2 -","- C208 H144 Cd6 O40 P4 -","2","0.5","","Chen, Shu-Mei; Chen, Yan-Fei; Lin, Rui; Lei, Xiao-Ping; Zhang, Jian","Organic templates promoted photocatalytic and photoluminescent properties between two coordination polymers","CrystEngComm","2013","15","48","10423","","10.1039/c3ce41930d","","","0.71073","MoKα","","0.0557","0.0352","","","0.0883","0.0984","","","","","","0.801","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211488","15.1394","0.0007","16.567","0.0007","17.868","0.0007","95.399","0.003","97.074","0.003","102.332","0.004","4311.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H68 Cd3 N O20 -","- C72 H68 Cd3 N O20 -","- C144 H136 Cd6 N2 O40 -","2","1","","Chen, Shu-Mei; Chen, Yan-Fei; Lin, Rui; Lei, Xiao-Ping; Zhang, Jian","Organic templates promoted photocatalytic and photoluminescent properties between two coordination polymers","CrystEngComm","2013","15","48","10423","","10.1039/c3ce41930d","","","0.71073","MoKα","","0.0992","0.0831","","","0.2448","0.2624","","","","","","1.143","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211489","23.8424","0.0005","14.7858","0.0003","7.6296","0.0002","90","","90","","90","","2689.65","0.11","200","2","200","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C15 H23 Cd2 N9 O15 S2 -","- C15 H23 Cd2 N9 O15 S2 -","- C60 H92 Cd8 N36 O60 S8 -","4","0.5","","Safin, Damir A.; Xu, Yang; Korobkov, Ilia; Bryce, David L.; Murugesu, Muralee","Renaissance of the coordination chemistry of 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine (TPymT). Part I: First crystal structure of a TPymT complex with a d-metal cation","CrystEngComm","2013","15","48","10419","","10.1039/c3ce42146e","","","0.71073","MoKα","","0.0266","0.0219","","","0.0569","0.0594","","","","","","1.009","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211500","17.142","0.003","12.882","0.003","6.9096","0.0014","90","","93.74","0.03","90","","1522.6","0.5","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 O6 Sm -","- C17 H11 O6 Sm -","- C68 H44 O24 Sm4 -","4","1","","Deng, Zhao-Peng; Huo, Li-Hua; Wang, Huan-Yu; Gao, Shan; Zhao, Hui","A series of three-dimensional lanthanide metal‒organic frameworks with biphenylethene-4,4′-dicarboxylic acid: Hydrothermal syntheses and structures","CrystEngComm","2010","12","5","1526","","10.1039/b905736f","","","0.71073","MoKα","","0.0247","0.0221","","","0.0518","0.054","","","","","","1.093","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211501","17.138","0.003","12.861","0.003","6.8991","0.0014","90","","93.74","0.03","90","","1517.4","0.5","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 Eu O6 -","- C17 H11 Eu O6 -","- C68 H44 Eu4 O24 -","4","1","","Deng, Zhao-Peng; Huo, Li-Hua; Wang, Huan-Yu; Gao, Shan; Zhao, Hui","A series of three-dimensional lanthanide metal‒organic frameworks with biphenylethene-4,4′-dicarboxylic acid: Hydrothermal syntheses and structures","CrystEngComm","2010","12","5","1526","","10.1039/b905736f","","","0.71073","MoKα","","0.0252","0.0231","","","0.0553","0.0564","","","","","","1.033","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211502","17.125","0.003","12.821","0.003","6.8828","0.0014","90","","93.58","0.03","90","","1508.2","0.5","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 Gd O6 -","- C17 H11 Gd O6 -","- C68 H44 Gd4 O24 -","4","1","","Deng, Zhao-Peng; Huo, Li-Hua; Wang, Huan-Yu; Gao, Shan; Zhao, Hui","A series of three-dimensional lanthanide metal‒organic frameworks with biphenylethene-4,4′-dicarboxylic acid: Hydrothermal syntheses and structures","CrystEngComm","2010","12","5","1526","","10.1039/b905736f","","","0.71073","MoKα","","0.0327","0.0301","","","0.0725","0.0741","","","","","","1.013","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211503","17.106","0.003","12.758","0.003","6.8875","0.0014","90","","93.57","0.03","90","","1500.2","0.5","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 O6 Tb -","- C17 H11 O6 Tb -","- C68 H44 O24 Tb4 -","4","1","","Deng, Zhao-Peng; Huo, Li-Hua; Wang, Huan-Yu; Gao, Shan; Zhao, Hui","A series of three-dimensional lanthanide metal‒organic frameworks with biphenylethene-4,4′-dicarboxylic acid: Hydrothermal syntheses and structures","CrystEngComm","2010","12","5","1526","","10.1039/b905736f","","","0.71073","MoKα","","0.0469","0.0356","","","0.0784","0.0843","","","","","","1.023","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211504","17.06","0.003","12.622","0.003","6.8426","0.0014","90","","93.46","0.03","90","","1470.7","0.5","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 Er O6 -","- C17 H11 Er O6 -","- C68 H44 Er4 O24 -","4","1","","Deng, Zhao-Peng; Huo, Li-Hua; Wang, Huan-Yu; Gao, Shan; Zhao, Hui","A series of three-dimensional lanthanide metal‒organic frameworks with biphenylethene-4,4′-dicarboxylic acid: Hydrothermal syntheses and structures","CrystEngComm","2010","12","5","1526","","10.1039/b905736f","","","0.71073","MoKα","","0.0246","0.0231","","","0.0585","0.0595","","","","","","1.024","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211505","16.1997","0.0011","12.1675","0.0006","7.4866","0.0004","90","","101.014","0.002","90","","1448.5","0.14","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 Eu O6 -","- C17 H11 Eu O6 -","- C68 H44 Eu4 O24 -","4","1","","Deng, Zhao-Peng; Huo, Li-Hua; Wang, Huan-Yu; Gao, Shan; Zhao, Hui","A series of three-dimensional lanthanide metal‒organic frameworks with biphenylethene-4,4′-dicarboxylic acid: Hydrothermal syntheses and structures","CrystEngComm","2010","12","5","1526","","10.1039/b905736f","","","0.71073","MoKα","","0.0587","0.0578","","","0.1932","0.1949","","","","","","1.062","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211506","19.867","0.004","5.4816","0.0011","20.025","0.004","90","","108.56","0.03","90","","2067.4","0.8","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H19 La O8 -","- C24 H19 La O8 -","- C96 H76 La4 O32 -","4","1","","Deng, Zhao-Peng; Huo, Li-Hua; Wang, Huan-Yu; Gao, Shan; Zhao, Hui","A series of three-dimensional lanthanide metal‒organic frameworks with biphenylethene-4,4′-dicarboxylic acid: Hydrothermal syntheses and structures","CrystEngComm","2010","12","5","1526","","10.1039/b905736f","","","0.71073","MoKα","","0.0289","0.0238","","","0.0546","0.0564","","","","","","1.076","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211507","7.4342","0.0015","8.7266","0.0017","16.572","0.003","82.87","0.03","88.85","0.03","71.41","0.03","1010.9","0.4","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H19 O8 Tb -","- C24 H19 O8 Tb -","- C48 H38 O16 Tb2 -","2","1","","Deng, Zhao-Peng; Huo, Li-Hua; Wang, Huan-Yu; Gao, Shan; Zhao, Hui","A series of three-dimensional lanthanide metal‒organic frameworks with biphenylethene-4,4′-dicarboxylic acid: Hydrothermal syntheses and structures","CrystEngComm","2010","12","5","1526","","10.1039/b905736f","","","0.71073","MoKα","","0.0368","0.0321","","","0.0744","0.0902","","","","","","1.122","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211508","24.044","0.008","14.343","0.004","16.688","0.005","90","","100.552","0.004","90","","5658","3","243.1","","243.1","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H63 Fe2 N21 Ni3 O6 -","- C30 H50 Fe2 N21 Ni3 O6 -","- C120 H200 Fe8 N84 Ni12 O24 -","4","0.5","","Ohba, Masaaki; Yoneda, Ko; Kitagawa, Susumu","Guest-responsive porous magnetic frameworks using polycyanometallates","CrystEngComm","2010","12","1","159","","10.1039/b906442g","","","0.7107","MoKα","","","0.0628","","","","0.2049","","","","","","1.07","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211509","7.844","0.018","14.31","0.03","12.96","0.03","90","","90.07","0.03","90","","1455","6","343.1","","343.1","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H13 Cr Mn N8 -","- C10 H13 Cr Mn N8 -","- C40 H52 Cr4 Mn4 N32 -","4","1","","Ohba, Masaaki; Yoneda, Ko; Kitagawa, Susumu","Guest-responsive porous magnetic frameworks using polycyanometallates","CrystEngComm","2010","12","1","159","","10.1039/b906442g","","","0.7107","MoKα","","","0.0984","","","","0.1368","","","","","","1.075","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211510","7.68","0.003","14.499","0.005","16.596","0.005","90","","97.323","0.005","90","","1832.9","1.1","243.1","","243.1","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H17 Cr Mn N8 O2 -","- C10 H17 Cr Mn N8 O2 -","- C40 H68 Cr4 Mn4 N32 O8 -","4","1","","Ohba, Masaaki; Yoneda, Ko; Kitagawa, Susumu","Guest-responsive porous magnetic frameworks using polycyanometallates","CrystEngComm","2010","12","1","159","","10.1039/b906442g","","","0.7107","MoKα","","","0.0647","","","","0.0955","","","","","","1.001","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211511","18.268","0.009","15.504","0.008","15.428","0.009","102.53","0.01","113.29","0.02","99.97","0.01","3751","4","293","2","293","2","","","","","","","","5","P 1","P 1","1","cyclomaltoheptaose + 3-ethyl-4-methyl-N-(2-(4-((4- methylcyclohexyl)carbamoyl sulfamoyl)phenyl)ethyl) sulfamoyl)phenyl)ethyl)-2-oxo-5H-pyrrole-1-carboxamide inclusion complex","cyclomaltoheptaose + 3-ethyl-4-methyl-N-[2-[4- [(4-methylcyclohexyl)carbamoyl sulfamoyl]phenyl]ethyl] sulfamoyl]phenyl]ethyl]-2-oxo-5H-pyrrole-1-carboxamide inclusion complex","","- C90.02 H91 N1.1 O89.52 S0.22 -","- C90.02 H91 N1.1 O89.52 S0.22 -","- C90.02 H91 N1.1 O89.52 S0.22 -","1","1","","Paulidou, Anastasia; Maffeo, Davide; Yannakopoulou, Konstantina; Mavridis, Irene M.","Similar modes of inclusion in complexes of β-cyclodextrin with sulfonylurea hypoglycemic drugs","CrystEngComm","2010","12","2","517","","10.1039/b908128c","","","1.5418","CuKa","","0.1069","0.0856","","","0.2279","0.2528","","","","","","1.126","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7211512","19.225","0.011","24.547","0.014","15.708","0.009","90","","109.65","0.02","90","","6981","7","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","cyclomaltoheptaose + 1-butyl-3-(p-toluenesulfonyl)urea inclusion complex","cyclomaltoheptaose + 1-butyl-3-(p-toluenesulfonyl)urea inclusion complex","","- C190 H216.64 N4 O179.08 S2 -","- C47.5 H54.16 N O44.78 S0.5 -","- C190 H216.64 N4 O179.12 S2 -","4","1","","Paulidou, Anastasia; Maffeo, Davide; Yannakopoulou, Konstantina; Mavridis, Irene M.","Similar modes of inclusion in complexes of β-cyclodextrin with sulfonylurea hypoglycemic drugs","CrystEngComm","2010","12","2","517","","10.1039/b908128c","","","1.5418","CuKa","","0.1526","0.0973","","","0.2387","0.2951","","","","","","1.067","","","","has coordinates,has disorder","180446","2020-10-21","18:00:00",""
"7211513","18.497","0.005","24.186","0.006","15.336","0.006","90","0.04","111.13","0.03","90","0.03","6400","4","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","cyclomaltoheptaose + 1-(hexahydro-1H-azepin-1-yl)-3-(p- toluenesulfonyl)urea inclusion complex","cyclomaltoheptaose + 1-(hexahydro-1H-azepin-1-yl)-3- (p-toluenesulfonyl)urea inclusion complex","","- C188.52 H206.8 N4.56 O174.48 S1.52 -","- C47.13 H51.7 N1.14 O43.62 S0.38 -","- C188.52 H206.8 N4.56 O174.48 S1.52 -","4","1","","Paulidou, Anastasia; Maffeo, Davide; Yannakopoulou, Konstantina; Mavridis, Irene M.","Similar modes of inclusion in complexes of β-cyclodextrin with sulfonylurea hypoglycemic drugs","CrystEngComm","2010","12","2","517","","10.1039/b908128c","","","0.8015","SYNCHROTRON","","0.079","0.0784","","","0.2183","0.2199","","","","","","1.24","","","","has coordinates,has disorder","180446","2020-10-21","18:00:00",""
"7211514","21.6476","0.0012","8.0624","0.0004","17.599","0.0009","90","","103.582","0.003","90","","2985.7","0.3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 Ag5 N9 O15 -","- C20 H16 Ag5 N9 O15 -","- C80 H64 Ag20 N36 O60 -","4","0.5","","Pramanik, Avijit; Das, Gopal","Precursory Ag-bipyridine 2D coordination polymer: a new and efficient route for the synthesis of Ag nanoparticles","CrystEngComm","2010","12","2","401","","10.1039/b908446k","","","0.71073","MoKα","","0.039","0.0364","","","0.09","0.0915","","","","","","1.214","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211515","6.4228","0.0003","8.6856","0.0004","16.7228","0.0008","90","","101.002","0.006","90","","915.75","0.08","293","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 Cl N O2 -","- C9 H8 Cl N O2 -","- C36 H32 Cl4 N4 O8 -","4","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka","Salts and co-crystals of chloranilic acid with organic bases: is it possible to predict a salt formation?","CrystEngComm","2010","12","3","925","","10.1039/b908492d","","x-ray","1.54184","CuKα","","","0.0454","","","","0.1457","","","","","","1.101","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211516","8.8242","0.0005","11.6495","0.0013","12.8506","0.0012","90","","104.574","0.006","90","","1278.5","0.2","293","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H9 Cl N2 O2 -","- C15 H9 Cl N2 O2 -","- C60 H36 Cl4 N8 O8 -","4","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka","Salts and co-crystals of chloranilic acid with organic bases: is it possible to predict a salt formation?","CrystEngComm","2010","12","3","925","","10.1039/b908492d","","x-ray","1.54179","CuKα","","","0.0365","","","","0.0983","","","","","","1.035","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211517","8.5903","0.0001","9.1128","0.0001","9.3181","0.0001","90","","105.736","0.001","90","","702.098","0.014","293","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H16 Cl2 N2 O4 -","- C10 H16 Cl2 N2 O4 -","- C20 H32 Cl4 N4 O8 -","2","0.5","","Molčanov, Krešimir; Kojić-Prodić, Biserka","Salts and co-crystals of chloranilic acid with organic bases: is it possible to predict a salt formation?","CrystEngComm","2010","12","3","925","","10.1039/b908492d","","x-ray","1.54184","CuKα","","","0.0384","","","","0.1088","","","","","","1.109","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211518","7.1312","0.0001","11.8937","0.0001","15.3644","0.0002","90","","103.206","0.001","90","","1268.69","0.03","293","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 Cl2 N O4 -","- C12 H9 Cl2 N O4 -","- C48 H36 Cl8 N4 O16 -","4","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka","Salts and co-crystals of chloranilic acid with organic bases: is it possible to predict a salt formation?","CrystEngComm","2010","12","3","925","","10.1039/b908492d","","x-ray","1.54184","CuKα","","","0.0337","","","","0.1005","","","","","","1.067","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211519","7.5343","0.0003","9.1981","0.0004","9.7929","0.0005","101.951","0.004","103.166","0.004","98.562","0.004","632.66","0.05","293","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H9 Cl2 N O4 -","- C12 H9 Cl2 N O4 -","- C24 H18 Cl4 N2 O8 -","2","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka","Salts and co-crystals of chloranilic acid with organic bases: is it possible to predict a salt formation?","CrystEngComm","2010","12","3","925","","10.1039/b908492d","","x-ray","1.54179","CuKα","","","0.0362","","","","0.1055","","","","","","1.101","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211520","7.6088","0.0008","10.3187","0.0006","13.2129","0.001","90","","97.033","0.008","90","","1029.58","0.15","293","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 Cl2 N O2 -","- C9 H9 Cl2 N O2 -","- C36 H36 Cl8 N4 O8 -","4","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka","Salts and co-crystals of chloranilic acid with organic bases: is it possible to predict a salt formation?","CrystEngComm","2010","12","3","925","","10.1039/b908492d","","x-ray","1.54184","CuKα","","","0.0485","","","","0.1328","","","","","","1.096","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211521","4.214","0.0001","19.9252","0.0004","13.3364","0.0003","90","","98.591","0.002","90","","1107.22","0.04","293","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H11 Cl2 N O3 -","- C9 H11 Cl2 N O3 -","- C36 H44 Cl8 N4 O12 -","4","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka","Salts and co-crystals of chloranilic acid with organic bases: is it possible to predict a salt formation?","CrystEngComm","2010","12","3","925","","10.1039/b908492d","","","1.54184","CuKα","","","0.0279","","","","0.0736","","","","","","1.055","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211522","4.9601","0.0002","8.499","0.0004","16.415","0.0007","88.135","0.004","84.817","0.003","88.068","0.004","688.47","0.05","293","2","","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H10 Cl2 N Na O5 -","- C12 H10 Cl2 N Na O5 -","- C24 H20 Cl4 N2 Na2 O10 -","2","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka","Salts and co-crystals of chloranilic acid with organic bases: is it possible to predict a salt formation?","CrystEngComm","2010","12","3","925","","10.1039/b908492d","","x-ray","1.54184","CuKα","","","0.0318","","","","0.0907","","","","","","1.099","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211523","9.575","0.005","28.271","0.005","15.831","0.005","90","0.005","99.42","0.005","90","0.005","4228","3","293","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H9 Cl2 N O4 -","- C8 H9 Cl2 N O4 -","- C128 H144 Cl32 N16 O64 -","16","4","","Molčanov, Krešimir; Kojić-Prodić, Biserka","Salts and co-crystals of chloranilic acid with organic bases: is it possible to predict a salt formation?","CrystEngComm","2010","12","3","925","","10.1039/b908492d","","","1.5418","CuKα","","","0.0413","","","","0.1194","","","","","","1.029","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211524","8.7169","0.0004","8.7529","0.0004","15.8026","0.0006","85.44","0.003","75.118","0.004","66.352","0.004","1067.04","0.09","293","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C8 H9 Cl2 N O4 -","- C8 H9 Cl2 N O4 -","- C32 H36 Cl8 N4 O16 -","4","2","","Molčanov, Krešimir; Kojić-Prodić, Biserka","Salts and co-crystals of chloranilic acid with organic bases: is it possible to predict a salt formation?","CrystEngComm","2010","12","3","925","","10.1039/b908492d","","x-ray","1.54179","CuKα","","","0.0623","","","","0.1869","","","","","","1.077","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211525","13.1988","0.0005","8.9661","0.0003","30.9737","0.0009","90","","95.401","0.003","90","","3649.2","0.2","293","2","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H16 Cl2 N2 O7 -","- C17 H16 Cl2 N2 O7 -","- C136 H128 Cl16 N16 O56 -","8","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka","Salts and co-crystals of chloranilic acid with organic bases: is it possible to predict a salt formation?","CrystEngComm","2010","12","3","925","","10.1039/b908492d","","x-ray","1.54184","CuKα","","","0.0582","","","","0.1567","","","","","","1.015","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211526","30.417","0.004","6.7259","0.0002","25.341","0.004","90","","145.35","0.03","90","","2948","2","293","2","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H20 Cl N3 O7 -","- C9 H20 Cl N3 O7 -","- C72 H160 Cl8 N24 O56 -","8","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka","Salts and co-crystals of chloranilic acid with organic bases: is it possible to predict a salt formation?","CrystEngComm","2010","12","3","925","","10.1039/b908492d","","x-ray","1.54184","CuKα","","","0.036","","","","0.109","","","","","","1.086","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211527","11.328","0.004","12.873","0.004","14.424","0.005","90","","101.925","0.006","90","","2058","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H25 Co N4 O8 -","- C18 H25 Co N4 O8 -","- C72 H100 Co4 N16 O32 -","4","1","","Xu, Yan-Yan; Xing, Yan-Yan; Duan, Xian-Ying; Li, Yi-Zhi; Zhu, Hui-Zhen; Meng, Qing-Jin","Design and constructions of three novel metal‒organic frameworks based on pillared-layer motifs","CrystEngComm","2010","12","2","567","","10.1039/b909053c","","","0.71073","MoKα","","0.0436","0.038","","","0.1124","0.1148","","","","","","1.007","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211528","11.77","0.002","13.743","0.003","12.618","0.002","90","","97.437","0.003","90","","2023.9","0.6","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H76 Co4 N16 O20 -","- C72 H76 Co4 N16 O20 -","- C72 H76 Co4 N16 O20 -","1","0.25","","Xu, Yan-Yan; Xing, Yan-Yan; Duan, Xian-Ying; Li, Yi-Zhi; Zhu, Hui-Zhen; Meng, Qing-Jin","Design and constructions of three novel metal‒organic frameworks based on pillared-layer motifs","CrystEngComm","2010","12","2","567","","10.1039/b909053c","","","0.71073","MoKα","","0.0788","0.0565","","","0.0985","0.1034","","","","","","1.193","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211529","12.6067","0.001","25.993","0.002","14.199","0.0011","90","","107.713","0.002","90","","4432.2","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H40 Co2 N8 O11 -","- C36 H40 Co2 N8 O11 -","- C144 H160 Co8 N32 O44 -","4","1","","Xu, Yan-Yan; Xing, Yan-Yan; Duan, Xian-Ying; Li, Yi-Zhi; Zhu, Hui-Zhen; Meng, Qing-Jin","Design and constructions of three novel metal‒organic frameworks based on pillared-layer motifs","CrystEngComm","2010","12","2","567","","10.1039/b909053c","","","0.71073","MoKα","","0.0845","0.0634","","","0.1478","0.1547","","","","","","1.087","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211530","9.3106","0.0019","11.023","0.002","20.395","0.006","90","","107.92","0.03","90","","1991.6","0.9","293","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 Co N4 O4 -","- C22 H17 Co N4 O4 -","- C88 H68 Co4 N16 O16 -","4","1","","Sun, Li-Xin; Qi, Yan; Wang, You-Ming; Che, Yun-Xia; Zheng, Ji-Min","A variety of novel complexes constructed from biphenyl-3,3′,4,4′-tetracarboxylate and flexible bis(imidazole) ligands","CrystEngComm","2010","12","5","1540","","10.1039/b909590j","","x-ray","0.71073","MoKα","","0.1924","0.0672","","","0.1081","0.1404","","","","","","0.909","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211531","23.795","0.005","10.089","0.002","17.189","0.003","90","","111.31","0.03","90","","3844.4","1.5","296","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H19 N4 Ni O5 -","- C18 H19 N4 Ni O5 -","- C144 H152 N32 Ni8 O40 -","8","1","","Sun, Li-Xin; Qi, Yan; Wang, You-Ming; Che, Yun-Xia; Zheng, Ji-Min","A variety of novel complexes constructed from biphenyl-3,3′,4,4′-tetracarboxylate and flexible bis(imidazole) ligands","CrystEngComm","2010","12","5","1540","","10.1039/b909590j","","x-ray","0.71073","MoKα","","0.0749","0.0492","","","0.1214","0.1348","","","","","","1.039","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211532","23.288","0.005","10.373","0.002","17.348","0.004","90","","108.92","0.03","90","","3964.3","1.6","296","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H21 N4 Ni O4 -","- C20 H21 N4 Ni O4 -","- C160 H168 N32 Ni8 O32 -","8","1","","Sun, Li-Xin; Qi, Yan; Wang, You-Ming; Che, Yun-Xia; Zheng, Ji-Min","A variety of novel complexes constructed from biphenyl-3,3′,4,4′-tetracarboxylate and flexible bis(imidazole) ligands","CrystEngComm","2010","12","5","1540","","10.1039/b909590j","","x-ray","0.71073","MoKα","","0.0949","0.0559","","","0.1305","0.1472","","","","","","1.034","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211533","7.213","0.0014","12.08","0.002","12.795","0.003","73.96","0.03","84.82","0.03","88.36","0.03","1067.1","0.4","293","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H25 N4 Ni O9 -","- C18 H23 N4 Ni O9 -","- C36 H46 N8 Ni2 O18 -","2","1","","Sun, Li-Xin; Qi, Yan; Wang, You-Ming; Che, Yun-Xia; Zheng, Ji-Min","A variety of novel complexes constructed from biphenyl-3,3′,4,4′-tetracarboxylate and flexible bis(imidazole) ligands","CrystEngComm","2010","12","5","1540","","10.1039/b909590j","","x-ray","0.71073","MoKα","","0.077","0.0504","","","0.1006","0.1164","","","","","","1.042","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211534","9.658","0.0019","10.131","0.002","10.721","0.002","84.56","0.03","64.35","0.03","71.02","0.03","892.9","0.4","293","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H17 N4 O5 Zn -","- C18 H17 N4 O5 Zn -","- C36 H34 N8 O10 Zn2 -","2","1","","Sun, Li-Xin; Qi, Yan; Wang, You-Ming; Che, Yun-Xia; Zheng, Ji-Min","A variety of novel complexes constructed from biphenyl-3,3′,4,4′-tetracarboxylate and flexible bis(imidazole) ligands","CrystEngComm","2010","12","5","1540","","10.1039/b909590j","","x-ray","0.71073","MoKα","","0.0846","0.0521","","","0.1225","0.1353","","","","","","1.066","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211535","8.6752","0.0017","11.569","0.002","11.626","0.002","65.46","0.03","68.83","0.03","79.8","0.03","989.3","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H19 Cd N4 O6 -","- C18 H19 Cd N4 O6 -","- C36 H38 Cd2 N8 O12 -","2","1","","Sun, Li-Xin; Qi, Yan; Wang, You-Ming; Che, Yun-Xia; Zheng, Ji-Min","A variety of novel complexes constructed from biphenyl-3,3′,4,4′-tetracarboxylate and flexible bis(imidazole) ligands","CrystEngComm","2010","12","5","1540","","10.1039/b909590j","","x-ray","0.71073","MoKα","","0.0414","0.034","","","0.0893","0.1027","","","","","","1.125","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211536","7.153","0.004","7.752","0.004","8.775","0.004","97.048","0.003","112.728","0.004","108.627","0.004","408.1","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","[Zn(N4CCOO)(H2O)3]2.2H2O","[Zn(N4CCOO)(H2O)3]2.2H2O","","- C4 H16 N8 O12 Zn2 -","- C4 H16 N8 O12 Zn2 -","- C4 H16 N8 O12 Zn2 -","1","0.5","","Wu, Mei-Feng; Zheng, Fa-Kun; Wu, A-Qing; Li, Yan; Wang, Ming-Sheng; Zhou, Wei-Wei; Chen, Feng; Guo, Guo-Cong; Huang, Jin-Shun","Hydrothermal syntheses, crystal structures and luminescent properties of zinc(II) coordination polymers constructed by bifunctional tetrazolate-5-carboxylate ligands","CrystEngComm","2010","12","1","260","","10.1039/b909754f","","","0.71073","MoKα","","0.0252","0.0224","","","0.0531","0.0548","","","","","","1.08","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211537","9.396","0.003","11.094","0.003","13.567","0.004","83.399","0.009","81.828","0.007","74.782","0.009","1346.3","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Zn2(N4CCOO)2(2,2'-bpy)2(H2O)2.H2O","Zn2(N4CCOO)2(2,2'-bpy)2(H2O)2.H2O","","- C24 H22 N12 O7 Zn2 -","- C24 H22 N12 O7 Zn2 -","- C48 H44 N24 O14 Zn4 -","2","1","","Wu, Mei-Feng; Zheng, Fa-Kun; Wu, A-Qing; Li, Yan; Wang, Ming-Sheng; Zhou, Wei-Wei; Chen, Feng; Guo, Guo-Cong; Huang, Jin-Shun","Hydrothermal syntheses, crystal structures and luminescent properties of zinc(II) coordination polymers constructed by bifunctional tetrazolate-5-carboxylate ligands","CrystEngComm","2010","12","1","260","","10.1039/b909754f","","","0.71073","MoKα","","0.0503","0.0379","","","0.0828","0.0886","","","","","","1.03","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211538","12.7076","0.0015","12.7076","0.0015","7.7157","0.0017","90","","90","","90","","1246","0.3","293","2","293","2","","","","","","","","5","P 42/n :2","-P 4bc","86","(Zn(N4CCH2COO)(H2O))n","[Zn(N4CCH2COO)(H2O)]n","","- C3 H4 N4 O3 Zn -","- C3 H4 N4 O3 Zn -","- C24 H32 N32 O24 Zn8 -","8","1","","Wu, Mei-Feng; Zheng, Fa-Kun; Wu, A-Qing; Li, Yan; Wang, Ming-Sheng; Zhou, Wei-Wei; Chen, Feng; Guo, Guo-Cong; Huang, Jin-Shun","Hydrothermal syntheses, crystal structures and luminescent properties of zinc(II) coordination polymers constructed by bifunctional tetrazolate-5-carboxylate ligands","CrystEngComm","2010","12","1","260","","10.1039/b909754f","","","0.71073","MoKα","","0.0409","0.0328","","","0.0849","0.0917","","","","","","1.048","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211539","22.118","0.003","44.164","0.007","6.6646","0.0007","90","","90","","90","","6510.1","1.5","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","[Zn3(N4CCH2COO)2CL2(H2O)2(2,2'-bpy)2]n","[Zn3(N4CCH2COO)2CL2(H2O)2(2,2'-bpy)2]n","","- C26 H24 Cl2 N12 O6 Zn3 -","- C26 H24 Cl2 N12 O6 Zn3 -","- C208 H192 Cl16 N96 O48 Zn24 -","8","0.5","","Wu, Mei-Feng; Zheng, Fa-Kun; Wu, A-Qing; Li, Yan; Wang, Ming-Sheng; Zhou, Wei-Wei; Chen, Feng; Guo, Guo-Cong; Huang, Jin-Shun","Hydrothermal syntheses, crystal structures and luminescent properties of zinc(II) coordination polymers constructed by bifunctional tetrazolate-5-carboxylate ligands","CrystEngComm","2010","12","1","260","","10.1039/b909754f","","","0.71073","MoKα","","0.0854","0.0542","","","0.1232","0.1375","","","","","","0.979","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211540","13.515","0.003","6.7465","0.0013","10.667","0.002","90","","91.33","0.03","90","","972.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Zn2(N4CCH2COO)2(4,4'-bpy)]n","[Zn2(N4CCH2COO)2(4,4'-bpy)]n","","- C16 H12 N10 O4 Zn2 -","- C16 H12 N10 O4 Zn2 -","- C32 H24 N20 O8 Zn4 -","2","0.5","","Wu, Mei-Feng; Zheng, Fa-Kun; Wu, A-Qing; Li, Yan; Wang, Ming-Sheng; Zhou, Wei-Wei; Chen, Feng; Guo, Guo-Cong; Huang, Jin-Shun","Hydrothermal syntheses, crystal structures and luminescent properties of zinc(II) coordination polymers constructed by bifunctional tetrazolate-5-carboxylate ligands","CrystEngComm","2010","12","1","260","","10.1039/b909754f","","","0.71073","MoKα","","0.0528","0.0435","","","0.1026","0.1068","","","","","","1.076","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211541","16.448","0.003","13.055","0.003","15.329","0.003","90","","90","","90","","3291.6","1.2","253.1","","","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C16 H20 N7 O2 -","- C16 H20 N7 O2 -","- C128 H160 N56 O16 -","8","1","","Tanaka, Hiroyuki; Shiomi, Daisuke; Suzuki, Shuichi; Kozaki, Masatoshi; Okada, Keiji; Sato, Kazunobu; Takui, Takeji","Diaminotriazine-substituted nitronyl nitroxide: a novel building block for organic magnets having multiple hydrogen bonding substituents as structure-determining supramolecular synthons","CrystEngComm","2010","12","2","526","","10.1039/b909757k","","","0.7107","MoKα","","","0.0696","","","","0.2123","","","","","","1.004","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211542","10.3259","0.0001","9.1606","0.0001","11.3351","0.0001","90","","101.97","0.001","90","","1048.89","0.018","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H9 Mn N O7 -","- C8 H9 Mn N O7 -","- C32 H36 Mn4 N4 O28 -","4","1","","Zhan, Cai-Hong; Jiang, Mei-Xiang; Feng, Yun-Long; Cheng, Jian-Wen","An unusual fluorite network constructed by dinuclear manganese and 5-carboxyl-1-carboxymethyl-3-oxidopyridimium","CrystEngComm","2010","12","2","420","","10.1039/b909889e","","","0.71073","MoKα","","0.0266","0.0232","","","0.0587","0.0606","","","","","","1.058","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211543","19.283","0.002","9.7242","0.0013","30.545","0.004","90","","105.048","0.007","90","","5531.1","1.2","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","3189-81-07 minoxidil","3189-81-07 minoxidil : L-tartaric acid","","- C44 H74 N20 O17 -","- C44 H74 N20 O17 -","- C176 H296 N80 O68 -","4","1","","Schultheiss, Nate; Lorimer, Keith; Wolfe, Skylar; Desper, John","Attempted construction of minoxidil: carboxylic acid cocrystals; 7 salts and 1 cocrystal resulted","CrystEngComm","2010","12","3","742","","10.1039/b910136e","","","0.71073","MoKα","","0.0523","0.0445","","","0.1195","0.1255","","","","","","1.006","","","","has coordinates,has disorder","188517","2020-10-21","18:00:00",""
"7211544","21.284","0.0008","10.4088","0.0004","13.8485","0.0005","90","","117.311","0.002","90","","2726.02","0.18","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H38 N10 O8 -","- C22 H38 N10 O8 -","- C88 H152 N40 O32 -","4","0.5","","Schultheiss, Nate; Lorimer, Keith; Wolfe, Skylar; Desper, John","Attempted construction of minoxidil: carboxylic acid cocrystals; 7 salts and 1 cocrystal resulted","CrystEngComm","2010","12","3","742","","10.1039/b910136e","","","1.54178","CuKα","","0.0572","0.0476","","","0.1248","0.1327","","","","","","1.051","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211545","9.3818","0.0004","10.4613","0.0005","14.1476","0.0007","90","","99.41","0.003","90","","1369.84","0.11","120","2","120","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","3189-80-03 minoxidil and succinic acid","","- C22 H40 N10 O8 -","- C22 H40 N10 O8 -","- C44 H80 N20 O16 -","2","0.5","","Schultheiss, Nate; Lorimer, Keith; Wolfe, Skylar; Desper, John","Attempted construction of minoxidil: carboxylic acid cocrystals; 7 salts and 1 cocrystal resulted","CrystEngComm","2010","12","3","742","","10.1039/b910136e","","","0.71073","MoKα","","0.0584","0.0465","","","0.1236","0.132","","","","","","1.003","","","","has coordinates,has disorder","180446","2020-10-21","18:00:00",""
"7211546","11.678","0.0005","17.9581","0.0008","13.673","0.0006","90","","94.615","0.002","90","","2858.1","0.2","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3189-76-02 minoxidil : adipic acid","","- C24 H40 N10 O6 -","- C24 H40 N10 O6 -","- C96 H160 N40 O24 -","4","1","","Schultheiss, Nate; Lorimer, Keith; Wolfe, Skylar; Desper, John","Attempted construction of minoxidil: carboxylic acid cocrystals; 7 salts and 1 cocrystal resulted","CrystEngComm","2010","12","3","742","","10.1039/b910136e","","","0.71073","MoKα","","0.0768","0.05","","","0.1305","0.1459","","","","","","1.047","","","","has coordinates,has disorder","180446","2020-10-21","18:00:00",""
"7211547","17.8421","0.0009","11.7743","0.0006","21.9811","0.0012","90","","102.245","0.002","90","","4512.7","0.4","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3189-76-06 minoxidil : 4-hydroxybenzoic acid","","- C41 H61 N15 O11 -","- C41 H61 N15 O11 -","- C164 H244 N60 O44 -","4","0.5","","Schultheiss, Nate; Lorimer, Keith; Wolfe, Skylar; Desper, John","Attempted construction of minoxidil: carboxylic acid cocrystals; 7 salts and 1 cocrystal resulted","CrystEngComm","2010","12","3","742","","10.1039/b910136e","","","0.71073","MoKα","","0.056","0.0425","","","0.114","0.1228","","","","","","1.045","","","","has coordinates,has disorder","180446","2020-10-21","18:00:00",""
"7211548","10.2003","0.0005","30.8973","0.0013","10.1214","0.0004","90","","117.917","0.002","90","","2818.7","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3262-11-02 minoxidil : 1-hydroxy-2-naphthoic acid","","- C31 H31 N5 O7 -","- C31 H31 N5 O7 -","- C124 H124 N20 O28 -","4","1","","Schultheiss, Nate; Lorimer, Keith; Wolfe, Skylar; Desper, John","Attempted construction of minoxidil: carboxylic acid cocrystals; 7 salts and 1 cocrystal resulted","CrystEngComm","2010","12","3","742","","10.1039/b910136e","","","0.71073","MoKα","","0.0906","0.0627","","","0.1585","0.1693","","","","","","1.076","","","","has coordinates,has disorder","180446","2020-10-21","18:00:00",""
"7211549","9.6564","0.0005","12.466","0.0007","13.986","0.0008","107.291","0.003","96.977","0.003","107.027","0.003","1496.42","0.15","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","3262-11-02 minoxidil : 1-hydroxy-2-naphthoic acid","","- C29 H39 N10 O5.5 -","- C29 H39 N10 O5.5 -","- C58 H78 N20 O11 -","2","1","","Schultheiss, Nate; Lorimer, Keith; Wolfe, Skylar; Desper, John","Attempted construction of minoxidil: carboxylic acid cocrystals; 7 salts and 1 cocrystal resulted","CrystEngComm","2010","12","3","742","","10.1039/b910136e","","","0.71073","MoKα","","0.0956","0.0559","","","0.142","0.1641","","","","","","1.05","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7211550","12.0011","0.0007","12.1067","0.0007","12.5719","0.0008","66.822","0.002","88.582","0.002","79.951","0.002","1651.48","0.17","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","3189-80-04 minoxidil : benzoic acid","","- C16 H21 N5 O3 -","- C16 H21 N5 O3 -","- C64 H84 N20 O12 -","4","2","","Schultheiss, Nate; Lorimer, Keith; Wolfe, Skylar; Desper, John","Attempted construction of minoxidil: carboxylic acid cocrystals; 7 salts and 1 cocrystal resulted","CrystEngComm","2010","12","3","742","","10.1039/b910136e","","","0.71073","MoKα","","0.1299","0.067","","","0.1538","0.1839","","","","","","1.019","","","","has coordinates,has disorder","180446","2020-10-21","18:00:00",""
"7211551","18.724","0.004","15.086","0.003","8.6362","0.0017","90","","93.97","0.03","90","","2433.6","0.9","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Eu N3 O12 -","- C22 H22 Eu N3 O12 -","- C88 H88 Eu4 N12 O48 -","4","1","","Fan, Jun; Wang, Zhi-Hong; Yang, Ming; Yin, Xia; Zhang, Wei-Guang; Huang, Zhuo-Fen; Zeng, Rong-Hua","Controlled synthesis, structures and properties of one-, two-, and three-dimensional lanthanide coordination polymers based on (8-quinolyloxy)acetate","CrystEngComm","2010","12","1","216","","10.1039/b910219a","","","0.71073","MoKα","","0.0461","0.0336","","","0.0908","0.1028","","","","","","1.028","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211552","18.7397","0.0007","15.1331","0.0006","8.6165","0.0003","90","","93.999","0.002","90","","2437.6","0.16","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Gd N3 O12 -","- C22 H22 Gd N3 O12 -","- C88 H88 Gd4 N12 O48 -","4","1","","Fan, Jun; Wang, Zhi-Hong; Yang, Ming; Yin, Xia; Zhang, Wei-Guang; Huang, Zhuo-Fen; Zeng, Rong-Hua","Controlled synthesis, structures and properties of one-, two-, and three-dimensional lanthanide coordination polymers based on (8-quinolyloxy)acetate","CrystEngComm","2010","12","1","216","","10.1039/b910219a","","","0.71073","MoKα","","0.0978","0.049","","","0.0864","0.1073","","","","","","1.079","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211553","19.268","0.004","16.07","0.003","15.592","0.003","90","","100.38","0.03","90","","4748.8","1.7","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H40 N4 O20 Pr2 -","- C46 H40 N4 O20 Pr2 -","- C184 H160 N16 O80 Pr8 -","4","1","","Fan, Jun; Wang, Zhi-Hong; Yang, Ming; Yin, Xia; Zhang, Wei-Guang; Huang, Zhuo-Fen; Zeng, Rong-Hua","Controlled synthesis, structures and properties of one-, two-, and three-dimensional lanthanide coordination polymers based on (8-quinolyloxy)acetate","CrystEngComm","2010","12","1","216","","10.1039/b910219a","","","0.71073","MoKα","","0.1012","0.0538","","","0.1215","0.1482","","","","","","1.016","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211554","19.266","0.004","16.039","0.003","15.551","0.003","90","","100.41","0.03","90","","4726.3","1.7","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H40 Er2 N4 O20 -","- C46 H40 Er2 N4 O20 -","- C184 H160 Er8 N16 O80 -","4","1","","Fan, Jun; Wang, Zhi-Hong; Yang, Ming; Yin, Xia; Zhang, Wei-Guang; Huang, Zhuo-Fen; Zeng, Rong-Hua","Controlled synthesis, structures and properties of one-, two-, and three-dimensional lanthanide coordination polymers based on (8-quinolyloxy)acetate","CrystEngComm","2010","12","1","216","","10.1039/b910219a","","","0.71073","MoKα","","0.1043","0.0596","","","0.1513","0.1786","","","","","","1.054","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211555","12.3342","0.0003","11.3752","0.0003","19.0229","0.0006","90","","103.81","0.002","90","","2591.84","0.13","298","2","298","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C52 H46 N4 O21 Sm2 -","- C52 H46 N4 O21 Sm2 -","- C104 H92 N8 O42 Sm4 -","2","0.5","","Fan, Jun; Wang, Zhi-Hong; Yang, Ming; Yin, Xia; Zhang, Wei-Guang; Huang, Zhuo-Fen; Zeng, Rong-Hua","Controlled synthesis, structures and properties of one-, two-, and three-dimensional lanthanide coordination polymers based on (8-quinolyloxy)acetate","CrystEngComm","2010","12","1","216","","10.1039/b910219a","","","0.71073","MoKα","","0.0535","0.0332","","","0.0738","0.0815","","","","","","1.026","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211556","10.8836","0.0002","10.9362","0.0002","15.8323","0.0002","90","","117.444","0.001","90","","1672.37","0.05","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H12 N O7 Sm -","- C19 H12 N O7 Sm -","- C76 H48 N4 O28 Sm4 -","4","1","","Fan, Jun; Wang, Zhi-Hong; Yang, Ming; Yin, Xia; Zhang, Wei-Guang; Huang, Zhuo-Fen; Zeng, Rong-Hua","Controlled synthesis, structures and properties of one-, two-, and three-dimensional lanthanide coordination polymers based on (8-quinolyloxy)acetate","CrystEngComm","2010","12","1","216","","10.1039/b910219a","","","0.71073","MoKα","","0.0256","0.0198","","","0.0455","0.0482","","","","","","1.03","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211557","10.8671","0.0003","10.8974","0.0003","15.8338","0.0004","90","","117.385","0.002","90","","1664.96","0.08","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H12 Eu N O7 -","- C19 H12 Eu N O7 -","- C76 H48 Eu4 N4 O28 -","4","1","","Fan, Jun; Wang, Zhi-Hong; Yang, Ming; Yin, Xia; Zhang, Wei-Guang; Huang, Zhuo-Fen; Zeng, Rong-Hua","Controlled synthesis, structures and properties of one-, two-, and three-dimensional lanthanide coordination polymers based on (8-quinolyloxy)acetate","CrystEngComm","2010","12","1","216","","10.1039/b910219a","","","0.71073","MoKα","","0.0268","0.0196","","","0.0555","0.0733","","","","","","1.01","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211560","19.446","0.002","4.2397","0.0005","12.4437","0.0014","90","","107.177","0.002","90","","980.16","0.19","296","2","296","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C2 H3 Cu2 I2 K N4 -","- C2 H3 Cu2 I2 K N4 -","- C8 H12 Cu8 I8 K4 N16 -","4","0.5","","Liu, Biao; Qiu, Yong-Cai; Peng, Guo; Deng, Hong","In situ solvothermal syntheses of a heteronuclear copper(I)-alkaline metallic tetrazole-based coordination polymer","CrystEngComm","2010","12","1","270","","10.1039/b910418f","","","0.71073","MoKα","","0.0301","0.0236","","","0.0519","0.0551","","","","","","1.034","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211561","9.3946","0.0014","13.26","0.002","12.7927","0.0019","90","","92.674","0.002","90","","1591.9","0.4","296","2","296","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C6 H9 Cu3 I K N12 -","- C6 H9 Cu3 I K N12 -","- C24 H36 Cu12 I4 K4 N48 -","4","0.5","","Liu, Biao; Qiu, Yong-Cai; Peng, Guo; Deng, Hong","In situ solvothermal syntheses of a heteronuclear copper(I)-alkaline metallic tetrazole-based coordination polymer","CrystEngComm","2010","12","1","270","","10.1039/b910418f","","","0.71073","MoKα","","0.0408","0.035","","","0.0923","0.0953","","","","","","1.082","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211562","9.5131","0.0013","15.302","0.002","9.8789","0.0013","90","","90","","90","","1438.1","0.3","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C6 H9 Cu2 I N9 Na -","- C6 H9 Cu2 I N9 Na -","- C24 H36 Cu8 I4 N36 Na4 -","4","0.5","","Liu, Biao; Qiu, Yong-Cai; Peng, Guo; Deng, Hong","In situ solvothermal syntheses of a heteronuclear copper(I)-alkaline metallic tetrazole-based coordination polymer","CrystEngComm","2010","12","1","270","","10.1039/b910418f","","","0.71073","MoKα","","0.0424","0.0315","","","0.071","0.0757","","","","","","1.035","","","","has coordinates,has disorder","180446","2020-10-21","18:00:00",""
"7211563","5.035","0.003","17.205","0.009","7.734","0.004","90","","93.23","0.05","90","","668.9","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-hydroxybenzohydrazide","4-hydroxybenzohydrazide","","- C7 H8 N2 O2 -","- C7 H8 N2 O2 -","- C28 H32 N8 O8 -","4","1","","Centore, Roberto; Carella, Antonio; Tuzi, Angela; Capobianco, Amedeo; Peluso, Andrea","Competitive H-bonding synthons in organic hydrazides","CrystEngComm","2010","12","4","1186","","10.1039/b910433j","","","0.71073","MoKα","","0.0686","0.0405","","","0.0942","0.1052","","","","","","1.044","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211564","21.648","0.007","3.594","0.003","9.704","0.003","90","","90","","90","","755","0.7","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","4-nitrobenzohydrazide","4-nitrobenzohydrazide","","- C7 H7 N3 O3 -","- C7 H7 N3 O3 -","- C28 H28 N12 O12 -","4","1","","Centore, Roberto; Carella, Antonio; Tuzi, Angela; Capobianco, Amedeo; Peluso, Andrea","Competitive H-bonding synthons in organic hydrazides","CrystEngComm","2010","12","4","1186","","10.1039/b910433j","","x-ray","0.71069","MoKα","","0.0634","0.0393","","","0.0788","0.0866","","","","","","1.027","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211565","15.93","0.01","3.816","0.003","12.689","0.009","90","","97.11","0.07","90","","765.4","0.9","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-cyanobenzohydrazide","4-cyanobenzohydrazide","","- C8 H7 N3 O -","- C8 H7 N3 O -","- C32 H28 N12 O4 -","4","1","","Centore, Roberto; Carella, Antonio; Tuzi, Angela; Capobianco, Amedeo; Peluso, Andrea","Competitive H-bonding synthons in organic hydrazides","CrystEngComm","2010","12","4","1186","","10.1039/b910433j","","x-ray","0.71069","MoKα","","0.0967","0.0459","","","0.0911","0.1059","","","","","","1.003","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211566","5.416","0.002","13.971","0.004","9.958","0.002","90","","103.63","0.02","90","","732.3","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-aminobenzohydrazide","4-aminobenzohydrazide","","- C7 H9 N3 O -","- C7 H9 N3 O -","- C28 H36 N12 O4 -","4","1","","Centore, Roberto; Carella, Antonio; Tuzi, Angela; Capobianco, Amedeo; Peluso, Andrea","Competitive H-bonding synthons in organic hydrazides","CrystEngComm","2010","12","4","1186","","10.1039/b910433j","","x-ray","0.71073","MoKα","","0.0788","0.042","","","0.0892","0.1025","","","","","","1.042","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211567","31.8004","0.0006","31.8004","0.0006","36.9032","0.0016","90","","90","","90","","37318.9","1.9","100","2","100","2","","","","","","","","6","I 41 c d","I 4bw -2c","110","","","","- C70 H140 Mn Mo6 N5 O28 -","- C66.6 H123.75 Mn Mo6 N5 O28 -","- C1065.6 H1980 Mn16 Mo96 N80 O448 -","16","1","","Song, Yu-Fei; Long, De-Liang; Cronin, Leroy","Hybrid polyoxometalate clusters with appended aromatic platforms","CrystEngComm","2010","12","1","109","","10.1039/b910434h","","","0.71073","MoKα","","0.0738","0.057","","","0.1384","0.1524","","","","","","1.033","","","","has coordinates,has disorder","180446","2020-10-21","18:00:00",""
"7211568","24.516","0.003","15.4509","0.0017","24.233","0.003","90","","94.577","0.005","90","","9150","1.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C73 H144 Mn Mo6 N5 O29 -","- C72.4 H135 Mn Mo6 N5 O28.5 -","- C289.6 H540 Mn4 Mo24 N20 O114 -","4","1","","Song, Yu-Fei; Long, De-Liang; Cronin, Leroy","Hybrid polyoxometalate clusters with appended aromatic platforms","CrystEngComm","2010","12","1","109","","10.1039/b910434h","","","0.71073","MoKα","","0.0528","0.0359","","","0.0775","0.086","","","","","","1.043","","","","has coordinates,has disorder","180446","2020-10-21","18:00:00",""
"7211569","37.5576","0.0015","13.7547","0.0006","25.1345","0.001","90","","128.073","0.002","90","","10221.6","0.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C83 H150 Mn Mo6 N6 O27 -","- C81.6 H118 Mn Mo6 N7 O26.8 -","- C326.4 H472 Mn4 Mo24 N28 O107.2 -","4","0.5","","Song, Yu-Fei; Long, De-Liang; Cronin, Leroy","Hybrid polyoxometalate clusters with appended aromatic platforms","CrystEngComm","2010","12","1","109","","10.1039/b910434h","","","0.71073","MoKα","","0.0787","0.0495","","","0.1444","0.1635","","","","","","1.064","","","","has coordinates,has disorder","180446","2020-10-21","18:00:00",""
"7211570","14.897","0.0004","13.9137","0.0004","24.7439","0.0007","90","","97.349","0.001","90","","5086.6","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C84 H140 Mn Mo6 N5 O24 -","- C80.2 H102.8 Mn Mo6 N5 O24 -","- C160.4 H205.6 Mn2 Mo12 N10 O48 -","2","0.5","","Song, Yu-Fei; Long, De-Liang; Cronin, Leroy","Hybrid polyoxometalate clusters with appended aromatic platforms","CrystEngComm","2010","12","1","109","","10.1039/b910434h","","","0.71073","MoKα","","0.0908","0.0672","","","0.1891","0.2066","","","","","","1.049","","","","has coordinates,has disorder","180446","2020-10-21","18:00:00",""
"7211571","12.15","0.008","14.363","0.007","16.451","0.011","99.374","0.015","106.419","0.012","111.167","0.014","2453","3","297","2","297","2","","","","","","","","3","P -1","-P 1","2","Hexa-O-toluoyl-myo-inositol","Hexa-<i>O</i>-toluoyl-<i>myo</i>-inositol","","- C54 H48 O12 -","- C54 H48 O12 -","- C108 H96 O24 -","2","1","","Gonnade, Rajesh G.; Bhadbhade, Mohan M.; Shashidhar, Mysore S.","Crystal-to-crystal thermal phase transition amongst dimorphs of hexa-O-p-toluoyl-myo-inositol conserving two-dimensional isostructurality","CrystEngComm","2010","12","2","478","","10.1039/b910546h","","","0.71073","MoKα","","0.1427","0.0793","","","0.1982","0.2366","","","","","","1.024","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211572","12.13","0.005","30.223","0.011","14.383","0.005","90","","110.068","0.007","90","","4953","3","297","2","297","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Hexa-O-toluoyl-myo-inositol","Hexa-<i>O</i>-toluoyl-<i>myo</i>-inositol","","- C54 H48 O12 -","- C54 H48 O12 -","- C216 H192 O48 -","4","1","","Gonnade, Rajesh G.; Bhadbhade, Mohan M.; Shashidhar, Mysore S.","Crystal-to-crystal thermal phase transition amongst dimorphs of hexa-O-p-toluoyl-myo-inositol conserving two-dimensional isostructurality","CrystEngComm","2010","12","2","478","","10.1039/b910546h","","","0.71073","MoKα","","0.1838","0.0628","","","0.1334","0.1847","","","","","","0.964","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211573","11.4886","0.0019","19.653","0.004","29.851","0.005","90","","99.17","0.003","90","","6654","2","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C47 H56 N4 O26 S5 -","- C47 H43 N4 O26 S5 -","- C188 H172 N16 O104 S20 -","4","1","","Su, Xin; Guo, Dong-Sheng; Liu, Yu","Solid-state supramolecular architectures by p-sulfonatocalix[5]arene with bispyridinium derivatives: factors of spacers and terminal groups","CrystEngComm","2010","12","3","947","","10.1039/b910623e","","","0.7107","MoKα","","0.1207","0.1002","","","0.271","0.2875","","","","","","1.022","","","","has coordinates,has disorder","180446","2020-10-21","18:00:00",""
"7211574","31.666","0.005","19.154","0.003","22.704","0.004","90","","111.471","0.003","90","","12815","4","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C84 H88 N2 O46 S10 -","- C84 H68 N2 O46 S10 -","- C336 H272 N8 O184 S40 -","4","0.5","","Su, Xin; Guo, Dong-Sheng; Liu, Yu","Solid-state supramolecular architectures by p-sulfonatocalix[5]arene with bispyridinium derivatives: factors of spacers and terminal groups","CrystEngComm","2010","12","3","947","","10.1039/b910623e","","","0.71073","MoKα","","0.1942","0.081","","","0.2109","0.2588","","","","","","0.854","","","","has coordinates,has disorder","180446","2020-10-21","18:00:00",""
"7211575","31.878","0.004","19.919","0.002","11.1685","0.0013","90","","96.582","0.002","90","","7045","1.4","294","2","294","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C42 H44 N O23 S5 -","- C42 H34 N O23 S5 -","- C168 H136 N4 O92 S20 -","4","0.5","","Su, Xin; Guo, Dong-Sheng; Liu, Yu","Solid-state supramolecular architectures by p-sulfonatocalix[5]arene with bispyridinium derivatives: factors of spacers and terminal groups","CrystEngComm","2010","12","3","947","","10.1039/b910623e","","","0.71073","MoKα","","0.2369","0.1508","","","0.362","0.4337","","","","","","1.347","","","","has coordinates,has disorder","180446","2020-10-21","18:00:00",""
"7211576","9.5731","0.0009","9.5962","0.001","16.5163","0.0016","90","","95.07","0.002","90","","1511.3","0.3","90","2","90","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C30 H20 Cu2 N4 O11 P2 V2 -","- C30 H20 Cu2 N4 O11 P2 V2 -","- C60 H40 Cu4 N8 O22 P4 V4 -","2","0.5","","DeBurgomaster, Paul; Ouellette, Wayne; Liu, Hongxue; O'Connor, Charles J.; Zubieta, Jon","Hydrothermal chemistry of vanadium oxides with aromatic di- and tri-phosphonates in the presence of secondary metal copper(II) cationic complex subunits","CrystEngComm","2010","12","2","446","","10.1039/b910641c","","x-ray","0.71073","MoKα","","0.0977","0.0968","","","0.1843","0.1847","","","","","","1.41","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211577","9.4396","0.0008","15.8795","0.0013","13.8189","0.0012","90","","101.147","0.002","90","","2032.3","0.3","90","2","90","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 Cu N2 O8 P2 V -","- C18 H13 Cu N2 O8 P2 V -","- C72 H52 Cu4 N8 O32 P8 V4 -","4","1","","DeBurgomaster, Paul; Ouellette, Wayne; Liu, Hongxue; O'Connor, Charles J.; Zubieta, Jon","Hydrothermal chemistry of vanadium oxides with aromatic di- and tri-phosphonates in the presence of secondary metal copper(II) cationic complex subunits","CrystEngComm","2010","12","2","446","","10.1039/b910641c","","x-ray","0.71073","MoKα","","0.0454","0.0447","","","0.0943","0.0947","","","","","","1.291","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211578","18.026","0.0015","17.9783","0.0015","11.9993","0.001","90","","114.139","0.001","90","","3548.7","0.5","90","2","90","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H26 Cu2 N6 O11 P2 V2 -","- C36 H26 Cu2 N6 O11 P2 V2 -","- C144 H104 Cu8 N24 O44 P8 V8 -","4","0.5","","DeBurgomaster, Paul; Ouellette, Wayne; Liu, Hongxue; O'Connor, Charles J.; Zubieta, Jon","Hydrothermal chemistry of vanadium oxides with aromatic di- and tri-phosphonates in the presence of secondary metal copper(II) cationic complex subunits","CrystEngComm","2010","12","2","446","","10.1039/b910641c","","x-ray","0.71073","MoKα","","0.0726","0.0703","","","0.1428","0.1438","","","","","","1.358","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211579","10.6351","0.0008","14.8733","0.0011","18.7757","0.0013","90","","93.831","0.001","90","","2963.3","0.4","90","2","90","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 Cu2 F N6 O10 P2 V -","- C26 H26 Cu2 F N6 O10 P2 V -","- C104 H104 Cu8 F4 N24 O40 P8 V4 -","4","1","","DeBurgomaster, Paul; Ouellette, Wayne; Liu, Hongxue; O'Connor, Charles J.; Zubieta, Jon","Hydrothermal chemistry of vanadium oxides with aromatic di- and tri-phosphonates in the presence of secondary metal copper(II) cationic complex subunits","CrystEngComm","2010","12","2","446","","10.1039/b910641c","","x-ray","0.71073","MoKα","","0.0719","0.0697","","","0.1335","0.1344","","","","","","1.336","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211580","19.628","0.002","8.5882","0.0009","19.245","0.002","90","","112.378","0.002","90","","2999.8","0.5","90","2","90","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 Cu2 F2 N6 O10 P2 V2 -","- C26 H22 Cu2 F2 N6 O10 P2 V2 -","- C104 H88 Cu8 F8 N24 O40 P8 V8 -","4","0.5","","DeBurgomaster, Paul; Ouellette, Wayne; Liu, Hongxue; O'Connor, Charles J.; Zubieta, Jon","Hydrothermal chemistry of vanadium oxides with aromatic di- and tri-phosphonates in the presence of secondary metal copper(II) cationic complex subunits","CrystEngComm","2010","12","2","446","","10.1039/b910641c","","x-ray","0.71073","MoKα","","0.0572","0.0552","","","0.1192","0.1203","","","","","","1.308","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211581","10.9327","0.0007","16.1475","0.001","11.8455","0.0007","90","","104.31","0.001","90","","2026.3","0.2","90","2","90","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 Cu N2 O9 P2 V -","- C18 H15 Cu N2 O9 P2 V -","- C72 H60 Cu4 N8 O36 P8 V4 -","4","1","","DeBurgomaster, Paul; Ouellette, Wayne; Liu, Hongxue; O'Connor, Charles J.; Zubieta, Jon","Hydrothermal chemistry of vanadium oxides with aromatic di- and tri-phosphonates in the presence of secondary metal copper(II) cationic complex subunits","CrystEngComm","2010","12","2","446","","10.1039/b910641c","","x-ray","0.71073","MoKα","","0.0454","0.0446","","","0.0906","0.0909","","","","","","1.268","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211582","8.2372","0.0006","16.1717","0.0011","15.1183","0.001","90","","101.714","0.001","90","","1972","0.2","90","2","90","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 Cu N2 O8 P2 V -","- C18 H13 Cu N2 O8 P2 V -","- C72 H52 Cu4 N8 O32 P8 V4 -","4","1","","DeBurgomaster, Paul; Ouellette, Wayne; Liu, Hongxue; O'Connor, Charles J.; Zubieta, Jon","Hydrothermal chemistry of vanadium oxides with aromatic di- and tri-phosphonates in the presence of secondary metal copper(II) cationic complex subunits","CrystEngComm","2010","12","2","446","","10.1039/b910641c","","x-ray","0.71073","MoKα","","0.0426","0.042","","","0.0937","0.094","","","","","","1.272","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211583","11.2896","0.0005","16.8485","0.0008","20.5594","0.001","90","","93.909","0.001","90","","3901.6","0.3","90","2","90","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H13 Cu N2 O8 P2 V -","- C18 H13 Cu N2 O8 P2 V -","- C144 H104 Cu8 N16 O64 P16 V8 -","8","1","","DeBurgomaster, Paul; Ouellette, Wayne; Liu, Hongxue; O'Connor, Charles J.; Zubieta, Jon","Hydrothermal chemistry of vanadium oxides with aromatic di- and tri-phosphonates in the presence of secondary metal copper(II) cationic complex subunits","CrystEngComm","2010","12","2","446","","10.1039/b910641c","","x-ray","0.71073","MoKα","","0.0743","0.0737","","","0.1446","0.1449","","","","","","1.381","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211584","9.6032","0.0009","6.1831","0.0006","19.7804","0.0018","90","","96.224","0.002","90","","1167.59","0.19","90","2","90","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 Cu N2 O14 P2 V2 -","- C18 H14 Cu N2 O14 P2 V2 -","- C36 H28 Cu2 N4 O28 P4 V4 -","2","0.5","","DeBurgomaster, Paul; Ouellette, Wayne; Liu, Hongxue; O'Connor, Charles J.; Zubieta, Jon","Hydrothermal chemistry of vanadium oxides with aromatic di- and tri-phosphonates in the presence of secondary metal copper(II) cationic complex subunits","CrystEngComm","2010","12","2","446","","10.1039/b910641c","","x-ray","0.71073","MoKα","","0.0324","0.0304","","","0.0791","0.0809","","","","","","1.084","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211585","10.402","0.0009","8.8148","0.0007","15.906","0.0013","90","","100.565","0.002","90","","1433.7","0.2","90","2","90","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 Cu2 F2 N4 O10 P2 V2 -","- C26 H20 Cu2 F2 N4 O10 P2 V2 -","- C52 H40 Cu4 F4 N8 O20 P4 V4 -","2","0.5","","DeBurgomaster, Paul; Ouellette, Wayne; Liu, Hongxue; O'Connor, Charles J.; Zubieta, Jon","Hydrothermal chemistry of vanadium oxides with aromatic di- and tri-phosphonates in the presence of secondary metal copper(II) cationic complex subunits","CrystEngComm","2010","12","2","446","","10.1039/b910641c","","x-ray","0.71073","MoKα","","0.039","0.0382","","","0.0825","0.0828","","","","","","1.233","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211586","10.3398","0.0007","25.5265","0.0016","10.0075","0.0006","90","","118.77","0.001","90","","2315.3","0.3","90","2","90","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C42 H32 Cu2 F N6 O18 P4 V3 -","- C42 H32 Cu2 F N6 O18 P4 V3 -","- C84 H64 Cu4 F2 N12 O36 P8 V6 -","2","0.5","","DeBurgomaster, Paul; Ouellette, Wayne; Liu, Hongxue; O'Connor, Charles J.; Zubieta, Jon","Hydrothermal chemistry of vanadium oxides with aromatic di- and tri-phosphonates in the presence of secondary metal copper(II) cationic complex subunits","CrystEngComm","2010","12","2","446","","10.1039/b910641c","","x-ray","0.71073","MoKα","","0.0883","0.0863","","","0.1711","0.1719","","","","","","1.385","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211587","10.893","0.002","8.7599","0.0018","16.069","0.003","90","","90.38","0.03","90","","1533.3","0.5","90","2","90","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 Cu2 F2 N6 O10 P2 V2 -","- C26 H22 Cu2 F2 N6 O10 P2 V2 -","- C52 H44 Cu4 F4 N12 O20 P4 V4 -","2","0.5","","DeBurgomaster, Paul; Ouellette, Wayne; Liu, Hongxue; O'Connor, Charles J.; Zubieta, Jon","Hydrothermal chemistry of vanadium oxides with aromatic di- and tri-phosphonates in the presence of secondary metal copper(II) cationic complex subunits","CrystEngComm","2010","12","2","446","","10.1039/b910641c","","x-ray","0.71073","MoKα","","0.0523","0.0396","","","0.1008","0.1065","","","","","","1.041","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211588","10.2667","0.0011","10.384","0.0011","10.6223","0.0011","99.967","0.002","92.781","0.002","101.734","0.002","1087.9","0.2","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H17 Cu N2 O12.5 P3 V -","- C16 H14 Cu N2 O12.5 P3 V -","- C32 H28 Cu2 N4 O25 P6 V2 -","2","1","","DeBurgomaster, Paul; Ouellette, Wayne; Liu, Hongxue; O'Connor, Charles J.; Zubieta, Jon","Hydrothermal chemistry of vanadium oxides with aromatic di- and tri-phosphonates in the presence of secondary metal copper(II) cationic complex subunits","CrystEngComm","2010","12","2","446","","10.1039/b910641c","","x-ray","0.71073","MoKα","","0.0703","0.0656","","","0.135","0.1374","","","","","","1.251","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7211589","8.8764","0.0006","17.0724","0.0011","43.44","0.003","90","","90","","90","","6583","0.8","90","2","90","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C26 H20 Cu2 N4 O16 P3 V3 -","- C26 H19 Cu2 N4 O16 P3 V3 -","- C208 H152 Cu16 N32 O128 P24 V24 -","8","1","","DeBurgomaster, Paul; Ouellette, Wayne; Liu, Hongxue; O'Connor, Charles J.; Zubieta, Jon","Hydrothermal chemistry of vanadium oxides with aromatic di- and tri-phosphonates in the presence of secondary metal copper(II) cationic complex subunits","CrystEngComm","2010","12","2","446","","10.1039/b910641c","","x-ray","0.71073","MoKα","","0.0732","0.0622","","","0.1259","0.1304","","","","","","1.276","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211590","16.244","0.002","7.2007","0.0009","22.401","0.003","90","","104.056","0.002","90","","2541.8","0.6","90","2","90","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Cu N2 O16 P3 V3 -","- C18 H11 Cu N2 O16 P3 V3 -","- C72 H44 Cu4 N8 O64 P12 V12 -","4","1","","DeBurgomaster, Paul; Ouellette, Wayne; Liu, Hongxue; O'Connor, Charles J.; Zubieta, Jon","Hydrothermal chemistry of vanadium oxides with aromatic di- and tri-phosphonates in the presence of secondary metal copper(II) cationic complex subunits","CrystEngComm","2010","12","2","446","","10.1039/b910641c","","x-ray","0.71073","MoKα","","0.0799","0.0781","","","0.1488","0.1496","","","","","","1.345","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7211591","6.4769","0.0007","8.4915","0.0009","18.798","0.002","92.437","0.002","98.233","0.002","92.697","0.002","1020.81","0.19","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H18 Cu N2 O11 P2 -","- C18 H14 Cu N2 O11 P2 -","- C36 H28 Cu2 N4 O22 P4 -","2","1","","DeBurgomaster, Paul; Ouellette, Wayne; Liu, Hongxue; O'Connor, Charles J.; Zubieta, Jon","Hydrothermal chemistry of vanadium oxides with aromatic di- and tri-phosphonates in the presence of secondary metal copper(II) cationic complex subunits","CrystEngComm","2010","12","2","446","","10.1039/b910641c","","x-ray","0.71073","MoKα","","0.0442","0.0415","","","0.1055","0.1071","","","","","","1.101","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211592","10.3525","0.0005","6.4579","0.0003","15.6396","0.0009","90","","108.085","0.001","90","","993.94","0.09","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Cu N2 O10 P2 -","- C18 H16 Cu N2 O10 P2 -","- C36 H32 Cu2 N4 O20 P4 -","2","0.5","","DeBurgomaster, Paul; Ouellette, Wayne; Liu, Hongxue; O'Connor, Charles J.; Zubieta, Jon","Hydrothermal chemistry of vanadium oxides with aromatic di- and tri-phosphonates in the presence of secondary metal copper(II) cationic complex subunits","CrystEngComm","2010","12","2","446","","10.1039/b910641c","","x-ray","0.71073","MoKα","","0.0536","0.053","","","0.1125","0.1128","","","","","","1.339","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211593","10.114","0.002","10.753","0.002","11.13","0.002","114.17","0.03","105.57","0.03","104.01","0.03","974.8","0.6","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H34 Cu2 N4 O20 P6 -","- C32 H34 Cu2 N4 O20 P6 -","- C32 H34 Cu2 N4 O20 P6 -","1","0.5","","DeBurgomaster, Paul; Ouellette, Wayne; Liu, Hongxue; O'Connor, Charles J.; Zubieta, Jon","Hydrothermal chemistry of vanadium oxides with aromatic di- and tri-phosphonates in the presence of secondary metal copper(II) cationic complex subunits","CrystEngComm","2010","12","2","446","","10.1039/b910641c","","x-ray","0.71073","MoKα","","0.0391","0.0369","","","0.0878","0.0891","","","","","","1.098","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211594","9.8914","0.0009","10.013","0.0009","11.5152","0.001","104.248","0.001","98.961","0.002","115.909","0.001","947.88","0.15","98","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H17 Cu N2 O10 P3 -","- C16 H15 Cu N2 O10 P3 -","- C32 H30 Cu2 N4 O20 P6 -","2","1","","DeBurgomaster, Paul; Ouellette, Wayne; Liu, Hongxue; O'Connor, Charles J.; Zubieta, Jon","Hydrothermal chemistry of vanadium oxides with aromatic di- and tri-phosphonates in the presence of secondary metal copper(II) cationic complex subunits","CrystEngComm","2010","12","2","446","","10.1039/b910641c","","x-ray","0.71073","MoKα","","0.0361","0.0349","","","0.0876","0.0883","","","","","","1.102","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211595","7.3298","0.0007","16.0346","0.0014","18.8682","0.0017","90","","98.239","0.002","90","","2194.7","0.3","98","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 Cu N2 O11 P3 -","- C18 H15 Cu N2 O11 P3 -","- C72 H60 Cu4 N8 O44 P12 -","4","1","","DeBurgomaster, Paul; Ouellette, Wayne; Liu, Hongxue; O'Connor, Charles J.; Zubieta, Jon","Hydrothermal chemistry of vanadium oxides with aromatic di- and tri-phosphonates in the presence of secondary metal copper(II) cationic complex subunits","CrystEngComm","2010","12","2","446","","10.1039/b910641c","","x-ray","0.71073","MoKα","","0.0954","0.0943","","","0.1917","0.1922","","","","","","1.405","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211596","9.9542","0.0014","10.0152","0.0014","12.0621","0.0016","100.631","0.002","106.609","0.002","115.494","0.002","972.2","0.2","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H18 Cu N3 O10 P3 -","- C16 H18 Cu N3 O10 P3 -","- C32 H36 Cu2 N6 O20 P6 -","2","1","","DeBurgomaster, Paul; Ouellette, Wayne; Liu, Hongxue; O'Connor, Charles J.; Zubieta, Jon","Hydrothermal chemistry of vanadium oxides with aromatic di- and tri-phosphonates in the presence of secondary metal copper(II) cationic complex subunits","CrystEngComm","2010","12","2","446","","10.1039/b910641c","","x-ray","0.71073","MoKα","","0.0598","0.0523","","","0.1164","0.1196","","","","","","1.17","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211597","5.721","0.003","11.617","0.005","24.595","0.011","93.91","0.008","90.624","0.008","103.852","0.008","1582.7","1.3","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C18 H18 N O2 -","- C18.644 H15.5 N O2 -","- C74.576 H62 N4 O8 -","4","4","","Chen, Shuang; Xi, Hanmi; Henry, Rodger F.; Marsden, Ian; Zhang, Geoff G. Z.","Chiral co-crystal solid solution: structures, melting point phase diagram, and chiral enrichment of (ibuprofen)2(4,4-dipyridyl)","CrystEngComm","2010","12","5","1485","","10.1039/b910662f","","","0.71073","MoKα","","0.1779","0.106","","","0.2748","0.3283","","","","","","0.906","","","","has coordinates,has disorder","180446","2020-10-21","18:00:00",""
"7211598","5.702","0.003","11.6","0.007","24.523","0.014","93.589","0.013","90.734","0.012","103.756","0.011","1571.8","1.5","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C18 H18 N O2 -","- C17.875 H16.125 N O2 -","- C71.5 H64.5 N4 O8 -","4","4","","Chen, Shuang; Xi, Hanmi; Henry, Rodger F.; Marsden, Ian; Zhang, Geoff G. Z.","Chiral co-crystal solid solution: structures, melting point phase diagram, and chiral enrichment of (ibuprofen)2(4,4-dipyridyl)","CrystEngComm","2010","12","5","1485","","10.1039/b910662f","","","0.71073","MoKα","","0.2764","0.2123","","","0.4897","0.5365","","","","","","1.536","","","","has coordinates,has disorder","180446","2020-10-21","18:00:00",""
"7211599","5.725","0.002","48.556","0.019","11.522","0.004","90","","103.316","0.008","90","","3117","2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H22 N O2 -","- C17.9875 H21.9625 N O2 -","- C143.9 H175.7 N8 O16 -","8","4","","Chen, Shuang; Xi, Hanmi; Henry, Rodger F.; Marsden, Ian; Zhang, Geoff G. Z.","Chiral co-crystal solid solution: structures, melting point phase diagram, and chiral enrichment of (ibuprofen)2(4,4-dipyridyl)","CrystEngComm","2010","12","5","1485","","10.1039/b910662f","","","0.71073","MoKα","","0.2585","0.1314","","","0.2787","0.3532","","","","","","0.972","","","","has coordinates,has disorder","180446","2020-10-21","18:00:00",""
"7211600","5.7654","0.0004","48.7","0.003","11.5146","0.0007","90","","103.684","0.001","90","","3141.2","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H44 N2 O4 -","- C36 H44 N2 O4 -","- C144 H176 N8 O16 -","4","2","","Chen, Shuang; Xi, Hanmi; Henry, Rodger F.; Marsden, Ian; Zhang, Geoff G. Z.","Chiral co-crystal solid solution: structures, melting point phase diagram, and chiral enrichment of (ibuprofen)2(4,4-dipyridyl)","CrystEngComm","2010","12","5","1485","","10.1039/b910662f","","","0.71073","MoKα","","0.0418","0.0376","","","0.1083","0.1196","","","","","","0.878","","","","has coordinates,has disorder","180447","2020-10-21","18:00:00",""
"7211601","5.7162","0.0012","11.563","0.003","24.621","0.005","94.133","0.005","90.21","0.003","104.275","0.003","1572.6","0.6","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C36 H44 N2 O4 -","- C36 H44 N2 O4 -","- C72 H88 N4 O8 -","2","2","","Chen, Shuang; Xi, Hanmi; Henry, Rodger F.; Marsden, Ian; Zhang, Geoff G. Z.","Chiral co-crystal solid solution: structures, melting point phase diagram, and chiral enrichment of (ibuprofen)2(4,4-dipyridyl)","CrystEngComm","2010","12","5","1485","","10.1039/b910662f","","","0.71073","MoKα","","0.0896","0.0472","","","0.1236","0.1673","","","","","","0.869","","","","has coordinates,has disorder","180447","2020-10-21","18:00:00",""
"7211602","9.5378","0.0008","6.6828","0.0005","16.131","0.0013","90","","96.749","0.001","90","","1021.05","0.14","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H20 Dy4 N8 O26 S2 -","- C36 H20 Dy4 N8 O26 S2 -","- C36 H20 Dy4 N8 O26 S2 -","1","0.25","","Wang, Zhao-Xi; Wu, Qiong-Fang; Liu, Hong-Jiang; Shao, Min; Xiao, Hong-Ping; Li, Ming-Xing","2D and 3D lanthanide coordination polymers constructed from benzimidazole-5,6-dicarboxylic acid and sulfate bridged secondary building units","CrystEngComm","2010","12","4","1139","","10.1039/b910701k","","","0.71073","MoKα","","0.0474","0.0443","","","0.1069","0.1082","","","","","","1.168","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211603","9.5378","0.0008","6.6828","0.0005","16.131","0.0013","90","","96.749","0.001","90","","1021.05","0.14","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H20 Er4 N8 O26 S2 -","- C36 H20 Er4 N8 O26 S2 -","- C36 H20 Er4 N8 O26 S2 -","1","0.25","","Wang, Zhao-Xi; Wu, Qiong-Fang; Liu, Hong-Jiang; Shao, Min; Xiao, Hong-Ping; Li, Ming-Xing","2D and 3D lanthanide coordination polymers constructed from benzimidazole-5,6-dicarboxylic acid and sulfate bridged secondary building units","CrystEngComm","2010","12","4","1139","","10.1039/b910701k","","","0.71073","MoKα","","0.0554","0.051","","","0.1349","0.1368","","","","","","1.178","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211604","9.5378","0.0008","6.6828","0.0005","16.131","0.0013","90","","96.749","0.001","90","","1021.05","0.14","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H20 Eu4 N8 O26 S2 -","- C36 H20 Eu4 N8 O26 S2 -","- C36 H20 Eu4 N8 O26 S2 -","1","0.25","","Wang, Zhao-Xi; Wu, Qiong-Fang; Liu, Hong-Jiang; Shao, Min; Xiao, Hong-Ping; Li, Ming-Xing","2D and 3D lanthanide coordination polymers constructed from benzimidazole-5,6-dicarboxylic acid and sulfate bridged secondary building units","CrystEngComm","2010","12","4","1139","","10.1039/b910701k","","","0.71073","MoKα","","0.054","0.0529","","","0.1209","0.1214","","","","","","1.182","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211605","9.4361","0.0015","9.8459","0.0015","14.246","0.002","91.443","0.002","107.665","0.002","118.251","0.002","1088.2","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 Gd2 N4 O15 S -","- C18 H14 Gd2 N4 O15 S -","- C36 H28 Gd4 N8 O30 S2 -","2","1","","Wang, Zhao-Xi; Wu, Qiong-Fang; Liu, Hong-Jiang; Shao, Min; Xiao, Hong-Ping; Li, Ming-Xing","2D and 3D lanthanide coordination polymers constructed from benzimidazole-5,6-dicarboxylic acid and sulfate bridged secondary building units","CrystEngComm","2010","12","4","1139","","10.1039/b910701k","","","0.71073","MoKα","","0.034","0.0304","","","0.0748","0.0774","","","","","","1.082","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211606","9.655","0.0017","10.0259","0.0018","14.313","0.003","91.012","0.002","107.625","0.002","118.626","0.002","1136.9","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 La2 N4 O15 S -","- C18 H14 La2 N4 O15 S -","- C36 H28 La4 N8 O30 S2 -","2","1","","Wang, Zhao-Xi; Wu, Qiong-Fang; Liu, Hong-Jiang; Shao, Min; Xiao, Hong-Ping; Li, Ming-Xing","2D and 3D lanthanide coordination polymers constructed from benzimidazole-5,6-dicarboxylic acid and sulfate bridged secondary building units","CrystEngComm","2010","12","4","1139","","10.1039/b910701k","","","0.71073","MoKα","","0.0592","0.0537","","","0.1336","0.1355","","","","","","1.232","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211607","9.5697","0.0013","9.9532","0.0013","14.288","0.002","91.2","0.002","107.652","0.002","118.473","0.001","1117.5","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 N4 O15 Pr2 S -","- C18 H14 N4 O15 Pr2 S -","- C36 H28 N8 O30 Pr4 S2 -","2","1","","Wang, Zhao-Xi; Wu, Qiong-Fang; Liu, Hong-Jiang; Shao, Min; Xiao, Hong-Ping; Li, Ming-Xing","2D and 3D lanthanide coordination polymers constructed from benzimidazole-5,6-dicarboxylic acid and sulfate bridged secondary building units","CrystEngComm","2010","12","4","1139","","10.1039/b910701k","","","0.71073","MoKα","","0.0498","0.0425","","","0.099","0.1028","","","","","","1.045","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211608","9.5378","0.0008","6.6828","0.0005","16.131","0.0013","90","","96.749","0.001","90","","1021.05","0.14","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H20 N8 O26 S2 Tb4 -","- C36 H20 N8 O26 S2 Tb4 -","- C36 H20 N8 O26 S2 Tb4 -","1","0.25","","Wang, Zhao-Xi; Wu, Qiong-Fang; Liu, Hong-Jiang; Shao, Min; Xiao, Hong-Ping; Li, Ming-Xing","2D and 3D lanthanide coordination polymers constructed from benzimidazole-5,6-dicarboxylic acid and sulfate bridged secondary building units","CrystEngComm","2010","12","4","1139","","10.1039/b910701k","","","0.71073","MoKα","","0.0558","0.0535","","","0.1222","0.1234","","","","","","1.142","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211609","9.473","0.0011","9.8689","0.0011","14.2483","0.0016","91.425","0.001","107.677","0.001","118.257","0.001","1095.1","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 N4 O15 S Sm2 -","- C18 H14 N4 O15 S Sm2 -","- C36 H28 N8 O30 S2 Sm4 -","2","1","","Wang, Zhao-Xi; Wu, Qiong-Fang; Liu, Hong-Jiang; Shao, Min; Xiao, Hong-Ping; Li, Ming-Xing","2D and 3D lanthanide coordination polymers constructed from benzimidazole-5,6-dicarboxylic acid and sulfate bridged secondary building units","CrystEngComm","2010","12","4","1139","","10.1039/b910701k","","","0.71073","MoKα","","0.0287","0.0272","","","0.073","0.074","","","","","","1.149","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211610","13.9901","0.0007","13.9901","0.0007","18.2013","0.0018","90","","90","","90","","3562.4","0.4","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C16 H32 La2 O28 Pb -","- C16 H16 La2 O28 Pb -","- C64 H64 La8 O112 Pb4 -","4","0.25","","Wang, Ying; Zhang, Zhen-Jie; Shi, Wei; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","3D heterometal‒organic frameworks based on oxydiacetic acid","CrystEngComm","2010","12","4","1086","","10.1039/b910838f","","","0.71073","MoKα","","0.0261","0.024","","","0.0755","0.0759","","","","","","1.179","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7211611","15.3476","0.0008","15.3476","0.0008","14.9728","0.0015","90","","90","","120","","3054.3","0.4","293","2","293","2","","","","","","","","5","P 6/m c c","-P 6 2c","192","","","","- C4 H8 La0.33 Ni0.5 O7 -","- C4 H6 La0.333333 Ni0.5 O7 -","- C48 H72 La4 Ni6 O84 -","12","0.5","","Wang, Ying; Zhang, Zhen-Jie; Shi, Wei; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","3D heterometal‒organic frameworks based on oxydiacetic acid","CrystEngComm","2010","12","4","1086","","10.1039/b910838f","","","0.71073","MoKα","","0.0394","0.0288","","","0.0996","0.1096","","","","","","1.142","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211612","15.3708","0.001","15.3708","0.001","15.118","0.002","90","","90","","120","","3093.3","0.5","293","2","293","2","","","","","","","","5","P 6/m c c","-P 6 2c","192","","","","- C24 H24 La2 O36 Zn3 -","- C24 H24 La2 O36 Zn3 -","- C48 H48 La4 O72 Zn6 -","2","0.0833333","","Wang, Ying; Zhang, Zhen-Jie; Shi, Wei; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","3D heterometal‒organic frameworks based on oxydiacetic acid","CrystEngComm","2010","12","4","1086","","10.1039/b910838f","","","0.71073","MoKα","","0.0312","0.0243","","","0.0893","0.0918","","","","","","1.135","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211613","15.371","0.003","15.371","0.003","15.127","0.003","90","","90","","120","","3095.2","1.1","293","2","293","2","","","","","","","","5","P 6/m c c","-P 6 2c","192","","","","- C4 H7.5 Co0.5 La0.33 O6.75 -","- C4 H6 Co0.5 La0.333333 O6.75 -","- C48 H72 Co6 La4 O81 -","12","0.5","","Wang, Ying; Zhang, Zhen-Jie; Shi, Wei; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","3D heterometal‒organic frameworks based on oxydiacetic acid","CrystEngComm","2010","12","4","1086","","10.1039/b910838f","","","0.71073","MoKα","","0.0357","0.0302","","","0.1181","0.1263","","","","","","1.101","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7211614","25.9723","0.0006","25.9723","0.0006","25.9723","0.0006","90","","90","","90","","17519.9","0.7","293","2","293","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C48 H72 La4 Mn6 O78 -","- C48 H72 La4 Mn6 O78 -","- C384 H576 La32 Mn48 O624 -","8","0.0416667","","Wang, Ying; Zhang, Zhen-Jie; Shi, Wei; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","3D heterometal‒organic frameworks based on oxydiacetic acid","CrystEngComm","2010","12","4","1086","","10.1039/b910838f","","","0.71073","MoKα","","0.0892","0.0409","","","0.1279","0.1881","","","","","","1.026","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211615","24.328","0.005","31.067","0.006","16.658","0.004","90","","90","","90","","12590","5","298","2","298","2","","","","","","","","7","P n n a","-P 2a 2bc","52","","","","- C50 H60 Ag2.5 Cl2.5 N10 O15 Si2.5 -","- C50 H50 Ag2.5 Cl2.5 N10 O10.25 Si2.5 -","- C400 H400 Ag20 Cl20 N80 O82 Si20 -","8","1","","Wang, Dengxu; He, Haiyan; Chen, Xiaohui; Feng, Shengyu; Niu, Yuzhong; Sun, Daofeng","A 3D porous metal‒organic framework constructed of 1D zigzag and helical chains exhibiting selective anion exchange","CrystEngComm","2010","12","4","1041","","10.1039/b910988a","","","0.71073","MoKα","","0.1376","0.0768","","","0.2095","0.2443","","","","","","1.008","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211616","5.772","0.002","19.128","0.007","17.295","0.006","90","","90","","90","","1909.5","1.2","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C20 H21.52 N4 O1.52 Si -","- C20 H21 N4 O1.51 Si -","- C80 H84 N16 O6.04 Si4 -","4","0.5","","Wang, Dengxu; He, Haiyan; Chen, Xiaohui; Feng, Shengyu; Niu, Yuzhong; Sun, Daofeng","A 3D porous metal‒organic framework constructed of 1D zigzag and helical chains exhibiting selective anion exchange","CrystEngComm","2010","12","4","1041","","10.1039/b910988a","","","0.71073","MoKα","","0.1319","0.0694","","","0.1862","0.2222","","","","","","1.018","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211617","17.783","0.005","7.249","0.005","8.832","0.005","90","0.005","105.275","0.005","90","0.005","1098.3","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C4 H14 Co N2 O6 P2 -","- C4 H14 Co N2 O6 P2 -","- C16 H56 Co4 N8 O24 P8 -","4","0.5","","Liu, Xianchun; Xing, Yan; Liu, Xizheng","Solvothermal synthesis and magnetic properties of cobalt(II) phosphite structures of varying dimensionality","CrystEngComm","2010","12","2","383","","10.1039/b911000c","","","0.71069","MoKα","","0.0293","0.025","","","0.0621","0.0636","","","","","","1.154","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211618","7.718","0.005","8.84","0.005","12.151","0.005","76.056","0.005","77.939","0.005","68.704","0.005","742.9","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C4 H17 Co2 N2 O9 P3 -","- C4 H17 Co2 N2 O9 P3 -","- C8 H34 Co4 N4 O18 P6 -","2","1","","Liu, Xianchun; Xing, Yan; Liu, Xizheng","Solvothermal synthesis and magnetic properties of cobalt(II) phosphite structures of varying dimensionality","CrystEngComm","2010","12","2","383","","10.1039/b911000c","","","0.71069","MoKα","","0.032","0.0253","","","0.0636","0.0666","","","","","","1.039","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211619","15.882","0.005","8.462","0.005","16.096","0.005","90","0.005","112.563","0.005","90","0.005","1997.6","1.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C4 H20 Co3 N2 O12 P4 -","- C4 H20 Co3 N2 O12 P4 -","- C16 H80 Co12 N8 O48 P16 -","4","0.5","","Liu, Xianchun; Xing, Yan; Liu, Xizheng","Solvothermal synthesis and magnetic properties of cobalt(II) phosphite structures of varying dimensionality","CrystEngComm","2010","12","2","383","","10.1039/b911000c","","","0.71069","MoKα","","0.0568","0.0332","","","0.0999","0.1203","","","","","","0.805","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211620","13.835","0.004","19.67","0.005","16.292","0.004","90","","99.14","0.02","90","","4377","2","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C45 H62 O11 -","- C45 H62 O11 -","- C180 H248 O44 -","4","1","","Gaeta, Carmine; Troisi, Francesco; Gavuzzo, Enrico; Camalli, Mercedes; Campi, Gaetano; Neri, Placido","Solid-state assembly of oxyfunctionalized calix[4]arene derivatives","CrystEngComm","2010","12","3","880","","10.1039/b911108e","","","1.54178","CuKα","","0.071","0.071","","0.107","0.107","","","","0.985","0.985","0.985","","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211621","16.099","0.005","18.769","0.007","16.86","0.006","90","","91.67","0.03","90","","5092","3","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C51 H72 O12 -","- C51.003 H72.009 O12 -","- C204.012 H288.036 O48 -","4","1","","Gaeta, Carmine; Troisi, Francesco; Gavuzzo, Enrico; Camalli, Mercedes; Campi, Gaetano; Neri, Placido","Solid-state assembly of oxyfunctionalized calix[4]arene derivatives","CrystEngComm","2010","12","3","880","","10.1039/b911108e","","","1.54178","CuKα","","0.095","0.095","","0.148","0.148","","","","0.865","0.865","0.865","","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211622","12.599","0.002","19.118","0.003","22.586","0.004","114.97","0.02","90.99","0.02","96.25","0.02","4890.3","1.6","293","","293","","","","","","","","","3","P -1","-P 1","2","","","","- C50 H69 O8.5 -","- C50 H68 O8.5 -","- C200 H272 O34 -","4","2","","Gaeta, Carmine; Troisi, Francesco; Gavuzzo, Enrico; Camalli, Mercedes; Campi, Gaetano; Neri, Placido","Solid-state assembly of oxyfunctionalized calix[4]arene derivatives","CrystEngComm","2010","12","3","880","","10.1039/b911108e","","","1.54178","CuKα","","0.086","0.086","","0.124","0.124","","","","0.945","0.945","0.945","","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211623","20.451","0.005","12.501","0.003","19.027","0.004","90","","125.3","0.02","90","","3970","1.9","293","","293","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C42 H52 O10 -","- C42 H52 O10 -","- C168 H208 O40 -","4","1","","Gaeta, Carmine; Troisi, Francesco; Gavuzzo, Enrico; Camalli, Mercedes; Campi, Gaetano; Neri, Placido","Solid-state assembly of oxyfunctionalized calix[4]arene derivatives","CrystEngComm","2010","12","3","880","","10.1039/b911108e","","","1.54178","CuKα","","0.087","0.087","","0.127","0.127","","","","0.882","0.882","0.882","","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211624","12.723","0.003","13.512","0.003","19.649","0.004","90","","103.09","0.03","90","","3290.1","1.3","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Chloro-2,3,7,8,12,13,17,18-octaethylporphyrinato-indium(iii)","Chloro-2,3,7,8,12,13,17,18-octaethylporphyrinato-indium(III)","","- C36 H44 Cl In N4 -","- C36 H44 Cl In N4 -","- C144 H176 Cl4 In4 N16 -","4","1","","Garcia, Thelma Y.; Olmstead, Marilyn M.; Fettinger, James C.; Balch, Alan L.","Crystallization of chloroindium(iii)octaethylporphyrin into a clamshell motif to engulf guest molecules","CrystEngComm","2010","12","3","866","","10.1039/b911180h","","","0.71073","MoKα","","0.0449","0.0317","","","0.0735","0.0789","","","","","","1.035","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211625","13.6573","0.0008","19.1375","0.0011","15.274","0.0009","90","","98.959","0.001","90","","3943.4","0.4","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Chloro(2,3,7,8,12,13,17,18-octaethylporphyrinato)indium(iii)","Chloro(2,3,7,8,12,13,17,18-octaethylporphyrinato)indium(III)","","- C45 H53 Cl In N4 -","- C45 H53 Cl In N4 -","- C180 H212 Cl4 In4 N16 -","4","1","","Garcia, Thelma Y.; Olmstead, Marilyn M.; Fettinger, James C.; Balch, Alan L.","Crystallization of chloroindium(iii)octaethylporphyrin into a clamshell motif to engulf guest molecules","CrystEngComm","2010","12","3","866","","10.1039/b911180h","","","0.71073","MoKα","","0.1048","0.0491","","","0.0976","0.1196","","","","","","1.006","","","","has coordinates,has disorder","180447","2020-10-21","18:00:00",""
"7211626","13.4911","0.0014","19.0068","0.0019","15.2475","0.0015","90","","98.654","0.002","90","","3865.3","0.7","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","chloro-2,3,7,8,12,13,17,18-octaethylporphyrinato-indium(iii) 1.5 pyridine solvate","chloro-2,3,7,8,12,13,17,18-octaethylporphyrinato-indium(III) 1.5 pyridine solvate","","- C43.5 H51.5 Cl In N5.5 -","- C44 H52 Cl In N5 -","- C176 H208 Cl4 In4 N20 -","4","1","","Garcia, Thelma Y.; Olmstead, Marilyn M.; Fettinger, James C.; Balch, Alan L.","Crystallization of chloroindium(iii)octaethylporphyrin into a clamshell motif to engulf guest molecules","CrystEngComm","2010","12","3","866","","10.1039/b911180h","","","0.71073","MoKα","","0.1229","0.065","","","0.1573","0.2003","","","","","","1.03","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7211627","13.6661","0.0017","19.255","0.002","15.2555","0.0019","90","","98.266","0.002","90","","3972.6","0.8","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","In(OEP)Cl$.!0.5dioxane$.!benzene","","","- C44 H54 Cl In N4 O -","- C44 H54 Cl In N4 O -","- C176 H216 Cl4 In4 N16 O4 -","4","1","","Garcia, Thelma Y.; Olmstead, Marilyn M.; Fettinger, James C.; Balch, Alan L.","Crystallization of chloroindium(iii)octaethylporphyrin into a clamshell motif to engulf guest molecules","CrystEngComm","2010","12","3","866","","10.1039/b911180h","","","0.71073","MoKα","","0.0876","0.0571","","","0.138","0.1504","","","","","","0.959","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211628","19.8189","0.0007","17.9548","0.0006","14.098","0.0005","90","","124.679","0.004","90","","4125.5","0.3","90","2","90","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","ClInOEP.1.5chlorobenzene","","","- C45 H51.5 Cl2.5 In N4 -","- C44.62 H51.5 Cl2.5 In N4 -","- C178.48 H206 Cl10 In4 N16 -","4","0.5","","Garcia, Thelma Y.; Olmstead, Marilyn M.; Fettinger, James C.; Balch, Alan L.","Crystallization of chloroindium(iii)octaethylporphyrin into a clamshell motif to engulf guest molecules","CrystEngComm","2010","12","3","866","","10.1039/b911180h","","","0.71073","MoKα","","0.0228","0.0219","","","0.0564","0.0569","","","","","","1.076","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7211629","19.251","0.002","20.681","0.002","16.032","0.0017","90","","90","","90","","6382.8","1.1","90","2","90","2","","","","","","","","5","C m c m","-C 2c 2","63","(In(OEP)Cl)C60.benzene","","","- C102 H50 Cl In N4 -","- C102 H50 Cl In N4 -","- C408 H200 Cl4 In4 N16 -","4","0.25","","Garcia, Thelma Y.; Olmstead, Marilyn M.; Fettinger, James C.; Balch, Alan L.","Crystallization of chloroindium(iii)octaethylporphyrin into a clamshell motif to engulf guest molecules","CrystEngComm","2010","12","3","866","","10.1039/b911180h","","","0.71073","MoKα","","0.0995","0.0726","","","0.2029","0.2115","","","","","","1.16","","","","has coordinates,has disorder","180447","2020-10-21","18:00:00",""
"7211630","11.5018","0.0006","22.2844","0.0012","14.1872","0.0008","90","","102.802","0.002","90","","3545.9","0.3","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H80 Co3 N12 O34 -","- C60 H80 Co3 N12 O34 -","- C120 H160 Co6 N24 O68 -","2","0.5","","Min, Tianyin; Zheng, Bo; Bai, Junfeng; Sun, Ran; Li, Yizhi; Zhang, Zhuxiu","Topology diversity and reversible crystal-to-amorphous transformation properties of 3D cobalt coordination polymers from a series of 1D rodlike dipyridyl-containing building blocks and a flexible tripodal acid with additional amide groups","CrystEngComm","2010","12","1","70","","10.1039/b911380k","","","0.71073","MoKα","","0.1011","0.0648","","","0.1431","0.1517","","","","","","0.996","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211631","33.993","0.004","13.6318","0.0014","15.4608","0.0016","90","","90","","90","","7164.3","1.3","291","2","291","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C66 H68 Co3 N12 O22 -","- C66 H68 Co3 N12 O22 -","- C264 H272 Co12 N48 O88 -","4","0.5","","Min, Tianyin; Zheng, Bo; Bai, Junfeng; Sun, Ran; Li, Yizhi; Zhang, Zhuxiu","Topology diversity and reversible crystal-to-amorphous transformation properties of 3D cobalt coordination polymers from a series of 1D rodlike dipyridyl-containing building blocks and a flexible tripodal acid with additional amide groups","CrystEngComm","2010","12","1","70","","10.1039/b911380k","","","0.71073","MoKα","","0.0699","0.056","","","0.1134","0.1159","","","","","","1.05","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211632","36.481","0.002","49.104","0.003","11.8446","0.0007","90","","90","","90","","21218","2","291","","291","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C41 H48 Co2 N8 O16 -","- C41 H48 Co2 N8 O16 -","- C656 H768 Co32 N128 O256 -","16","1","","Min, Tianyin; Zheng, Bo; Bai, Junfeng; Sun, Ran; Li, Yizhi; Zhang, Zhuxiu","Topology diversity and reversible crystal-to-amorphous transformation properties of 3D cobalt coordination polymers from a series of 1D rodlike dipyridyl-containing building blocks and a flexible tripodal acid with additional amide groups","CrystEngComm","2010","12","1","70","","10.1039/b911380k","","","0.71073","MoKα","","0.0569","0.0488","","","0.1098","0.1118","","","","","","1.087","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211633","5.0333","0.0008","13.995","0.002","10.7354","0.0017","90","","97.733","0.002","90","","749.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Cu N2 O4 -","- C16 H16 Cu N2 O4 -","- C32 H32 Cu2 N4 O8 -","2","0.5","","Li, Cui-Jin; Lin, Zhuojia; Yun, Lei; Xie, Yu-Ling; Leng, Ji-Dong; Ou, Yong-Cong; Tong, Ming-Liang","Hydrothermal in situ ligand reaction: copper(II)-mediated stepwise oxidation of 2,3,5- and 2,4,6-trimethylpyridine to pyridinecarboxylates","CrystEngComm","2010","12","2","425","","10.1039/b911463g","","","0.71073","MoKα","","0.0445","0.038","","","0.1013","0.1064","","","","","","1.037","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211634","7.3163","0.0007","7.6838","0.0007","17.9429","0.0016","83.251","0.002","82.728","0.002","81.003","0.002","983.34","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 Cu3 N2 O12 -","- C16 H16 Cu3 N2 O12 -","- C32 H32 Cu6 N4 O24 -","2","1","","Li, Cui-Jin; Lin, Zhuojia; Yun, Lei; Xie, Yu-Ling; Leng, Ji-Dong; Ou, Yong-Cong; Tong, Ming-Liang","Hydrothermal in situ ligand reaction: copper(II)-mediated stepwise oxidation of 2,3,5- and 2,4,6-trimethylpyridine to pyridinecarboxylates","CrystEngComm","2010","12","2","425","","10.1039/b911463g","","","0.71073","MoKα","","0.0416","0.0371","","","0.0954","0.0987","","","","","","1.027","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211635","7.6284","0.0011","11.058","0.002","11.284","0.005","102.71","0.03","105.21","0.02","106.87","0.016","832.6","0.5","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 Cu2 N2 O10 -","- C16 H14 Cu2 N2 O10 -","- C32 H28 Cu4 N4 O20 -","2","1","","Li, Cui-Jin; Lin, Zhuojia; Yun, Lei; Xie, Yu-Ling; Leng, Ji-Dong; Ou, Yong-Cong; Tong, Ming-Liang","Hydrothermal in situ ligand reaction: copper(II)-mediated stepwise oxidation of 2,3,5- and 2,4,6-trimethylpyridine to pyridinecarboxylates","CrystEngComm","2010","12","2","425","","10.1039/b911463g","","","0.71073","MoKα","","0.1001","0.0563","","","0.1593","0.181","","","","","","1.079","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211636","7.0602","0.0007","9.5054","0.001","10.8957","0.0011","101.345","0.002","107.878","0.002","111.34","0.002","607.69","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 Cu4 N2 O22 -","- C16 H14 Cu4 N2 O22 -","- C16 H14 Cu4 N2 O22 -","1","0.5","","Li, Cui-Jin; Lin, Zhuojia; Yun, Lei; Xie, Yu-Ling; Leng, Ji-Dong; Ou, Yong-Cong; Tong, Ming-Liang","Hydrothermal in situ ligand reaction: copper(II)-mediated stepwise oxidation of 2,3,5- and 2,4,6-trimethylpyridine to pyridinecarboxylates","CrystEngComm","2010","12","2","425","","10.1039/b911463g","","","0.71073","MoKα","","0.0323","0.0304","","","0.0827","0.0843","","","","","","1.089","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211637","8.909","0.002","12.33","0.003","17.476","0.004","90","","90","","90","","1919.7","0.8","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C8 H3 Cu2 N O7 -","- C8 H3 Cu2 N O7 -","- C64 H24 Cu16 N8 O56 -","8","1","","Li, Cui-Jin; Lin, Zhuojia; Yun, Lei; Xie, Yu-Ling; Leng, Ji-Dong; Ou, Yong-Cong; Tong, Ming-Liang","Hydrothermal in situ ligand reaction: copper(II)-mediated stepwise oxidation of 2,3,5- and 2,4,6-trimethylpyridine to pyridinecarboxylates","CrystEngComm","2010","12","2","425","","10.1039/b911463g","","","0.71073","MoKα","","0.0755","0.0581","","","0.1274","0.1351","","","","","","1.076","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211638","4.8656","0.0005","9.764","0.0012","11.1677","0.0014","73.703","0.011","80.971","0.01","80.399","0.009","498.69","0.11","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H8 N2 O8 -","- C8 H8 N2 O8 -","- C16 H16 N4 O16 -","2","1","","Li, Cui-Jin; Lin, Zhuojia; Yun, Lei; Xie, Yu-Ling; Leng, Ji-Dong; Ou, Yong-Cong; Tong, Ming-Liang","Hydrothermal in situ ligand reaction: copper(II)-mediated stepwise oxidation of 2,3,5- and 2,4,6-trimethylpyridine to pyridinecarboxylates","CrystEngComm","2010","12","2","425","","10.1039/b911463g","","","1.54178","CuKα","","0.1089","0.088","","","0.2504","0.2658","","","","","","1.075","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211639","16.885","0.004","11.989","0.004","8.207","0.004","90","","95.51","0.03","90","","1653.7","1.1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,6-difluoro-1,2,3,5-dithiadiazolyl","","- C7 H3 F2 N2 S2 -","- C7 H3 F2 N2 S2 -","- C56 H24 F16 N16 S16 -","8","2","","Clarke, Caroline S.; Haynes, Delia A.; Smith, J. Nicholas B.; Batsanov, Andrei S.; Howard, Judith A. K.; Pascu, Sofia I.; Rawson, Jeremy M.","The effect of fluorinated aryl substituents on the crystal structures of 1,2,3,5-dithiadiazolyl radicals","CrystEngComm","2010","12","1","172","","10.1039/b911636b","","","0.71073","MoKα","","0.0961","0.0589","","","0.1331","0.162","","","","","","1.129","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211640","30.168","0.001","30.168","0.001","7.1749","0.0002","90","","90","","90","","6529.9","0.4","180","2","180","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","2,6-difluoro-1,2,3,5-dithiadiazolyl","","- C7 H3 F2 N2 S2 -","- C7 H3 F2 N2 S2 -","- C224 H96 F64 N64 S64 -","32","2","","Clarke, Caroline S.; Haynes, Delia A.; Smith, J. Nicholas B.; Batsanov, Andrei S.; Howard, Judith A. K.; Pascu, Sofia I.; Rawson, Jeremy M.","The effect of fluorinated aryl substituents on the crystal structures of 1,2,3,5-dithiadiazolyl radicals","CrystEngComm","2010","12","1","172","","10.1039/b911636b","","","0.71073","MoKα","","0.0487","0.0337","","","0.0785","0.0847","","","","","","1.028","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211641","7.543","0.002","11.193","0.002","18.688","0.004","90","","93.87","0.03","90","","1574.2","0.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3,4-difluoro-1,2,3,5-dithiadiazolyl","","- C7 H3 F2 N2 S2 -","- C7 H3 F2 N2 S2 -","- C56 H24 F16 N16 S16 -","8","2","","Clarke, Caroline S.; Haynes, Delia A.; Smith, J. Nicholas B.; Batsanov, Andrei S.; Howard, Judith A. K.; Pascu, Sofia I.; Rawson, Jeremy M.","The effect of fluorinated aryl substituents on the crystal structures of 1,2,3,5-dithiadiazolyl radicals","CrystEngComm","2010","12","1","172","","10.1039/b911636b","","","0.71073","MoKα","","0.0765","0.0464","","","0.1097","0.128","","","","","","1.056","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211642","7.058","0.003","15.045","0.005","16.258","0.006","66.79","0.03","84.17","0.03","80.4","0.03","1563.2","1.1","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","3,5-difluoro-1,2,3,5-dithiadiazolyl","","- C7 H3 F2 N2 S2 -","- C7 H3 F2 N2 S2 -","- C56 H24 F16 N16 S16 -","8","4","","Clarke, Caroline S.; Haynes, Delia A.; Smith, J. Nicholas B.; Batsanov, Andrei S.; Howard, Judith A. K.; Pascu, Sofia I.; Rawson, Jeremy M.","The effect of fluorinated aryl substituents on the crystal structures of 1,2,3,5-dithiadiazolyl radicals","CrystEngComm","2010","12","1","172","","10.1039/b911636b","","","0.71073","MoKα","","0.1235","0.0727","","","0.1691","0.2024","","","","","","1.045","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211643","30.483","0.002","30.483","0.002","7.117","0.001","90","","90","","90","","6613.2","1.1","150","2","150","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","2,3,6-trifluoro-1,2,3,5-dithiadiazolyl","","- C7 H2 F3 N2 S2 -","- C7 H2 F3 N2 S2 -","- C224 H64 F96 N64 S64 -","32","2","","Clarke, Caroline S.; Haynes, Delia A.; Smith, J. Nicholas B.; Batsanov, Andrei S.; Howard, Judith A. K.; Pascu, Sofia I.; Rawson, Jeremy M.","The effect of fluorinated aryl substituents on the crystal structures of 1,2,3,5-dithiadiazolyl radicals","CrystEngComm","2010","12","1","172","","10.1039/b911636b","","","0.71073","MoKα","","0.035","0.0274","","","0.0671","0.072","","","","","","1.133","","","","has coordinates,has disorder","180447","2020-10-21","18:00:00",""
"7211644","7.1195","0.0001","27.2091","0.0003","25.1504","0.0004","90","","92.614","0.001","90","","4866.94","0.12","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,4,6-trifluoro-1,2,3,5-dithiadiazolyl","","- C7 H2 F3 N2 S2 -","- C7 H2 F3 N2 S2 -","- C168 H48 F72 N48 S48 -","24","6","","Clarke, Caroline S.; Haynes, Delia A.; Smith, J. Nicholas B.; Batsanov, Andrei S.; Howard, Judith A. K.; Pascu, Sofia I.; Rawson, Jeremy M.","The effect of fluorinated aryl substituents on the crystal structures of 1,2,3,5-dithiadiazolyl radicals","CrystEngComm","2010","12","1","172","","10.1039/b911636b","","","0.71073","MoKα","","0.0911","0.0488","","","0.097","0.1107","","","","","","1.018","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211645","5.9462","0.0001","10.2733","0.0002","14.3236","0.0002","76.255","0.001","79.899","0.001","78.649","0.001","825.67","0.02","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","3,4,5-trifluoro-1,2,3,5-dithiadiazolyl","","- C7 H2 F3 N2 S2 -","- C7 H2 F3 N2 S2 -","- C28 H8 F12 N8 S8 -","4","2","","Clarke, Caroline S.; Haynes, Delia A.; Smith, J. Nicholas B.; Batsanov, Andrei S.; Howard, Judith A. K.; Pascu, Sofia I.; Rawson, Jeremy M.","The effect of fluorinated aryl substituents on the crystal structures of 1,2,3,5-dithiadiazolyl radicals","CrystEngComm","2010","12","1","172","","10.1039/b911636b","","","0.71073","MoKα","","0.0377","0.0321","","","0.0836","0.0889","","","","","","1.093","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211646","9.738","0.0009","10.415","0.001","10.66","0.001","107.409","0.001","90.801","0.001","115.658","0.001","916.86","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H24 Cu Mo8 N6 O28 -","- C18 H20 Cu Mo8 N6 O28 -","- C18 H20 Cu Mo8 N6 O28 -","1","0.5","","Zang, Hong-Ying; Lan, Ya-Qian; Yang, Guang-Sheng; Wang, Xin-Long; Shao, Kui-Zhan; Xu, Guang-Juan; Su, Zhong-Min","Construction and property investigation of transition-metal complexes modified octamolybdate hybrid materials based on V-shaped organic ligands","CrystEngComm","2010","12","2","434","","10.1039/b911881k","","","0.71069","MoKα","","0.0465","0.0402","","","0.1092","0.1139","","","","","","1.06","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211647","19.061","0.0007","10.431","0.0007","18.396","0.0014","90","","93.148","0.001","90","","3652.1","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H22 Cu Mo8 N8 O28 -","- C16 H22 Cu Mo8 N8 O28 -","- C64 H88 Cu4 Mo32 N32 O112 -","4","0.5","","Zang, Hong-Ying; Lan, Ya-Qian; Yang, Guang-Sheng; Wang, Xin-Long; Shao, Kui-Zhan; Xu, Guang-Juan; Su, Zhong-Min","Construction and property investigation of transition-metal complexes modified octamolybdate hybrid materials based on V-shaped organic ligands","CrystEngComm","2010","12","2","434","","10.1039/b911881k","","","0.71069","MoKα","","0.0259","0.0228","","","0.0601","0.0615","","","","","","1.143","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211648","10.651","0.003","11.293","0.003","12.834","0.007","96.116","0.003","102.112","0.003","108.448","0.004","1406.7","0.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H16 Cl Cu3 Mo4 N8 O13 -","- C16 H16 Cl Cu3 Mo4 N8 O13 -","- C32 H32 Cl2 Cu6 Mo8 N16 O26 -","2","1","","Zang, Hong-Ying; Lan, Ya-Qian; Yang, Guang-Sheng; Wang, Xin-Long; Shao, Kui-Zhan; Xu, Guang-Juan; Su, Zhong-Min","Construction and property investigation of transition-metal complexes modified octamolybdate hybrid materials based on V-shaped organic ligands","CrystEngComm","2010","12","2","434","","10.1039/b911881k","","","0.71069","MoKα","","0.0743","0.0615","","","0.1768","0.1887","","","","","","1.072","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211649","18.456","0.001","15.443","0.001","20.498","0.002","90","","107.187","0.001","90","","5581.4","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H38 Cu2 Mo8 N16 O29 -","- C32 H32 Cu2 Mo8 N16 O29 -","- C128 H128 Cu8 Mo32 N64 O116 -","4","0.5","","Zang, Hong-Ying; Lan, Ya-Qian; Yang, Guang-Sheng; Wang, Xin-Long; Shao, Kui-Zhan; Xu, Guang-Juan; Su, Zhong-Min","Construction and property investigation of transition-metal complexes modified octamolybdate hybrid materials based on V-shaped organic ligands","CrystEngComm","2010","12","2","434","","10.1039/b911881k","","","0.71069","MoKα","","0.0366","0.0303","","","0.0859","0.0899","","","","","","1.04","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211650","12.3881","0.0017","15.8284","0.0021","14.1052","0.0019","90","","92.264","0.0024","90","","2763.6","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 Cu Mo4 N6 O13 -","- C18 H18 Cu Mo4 N6 O13 -","- C72 H72 Cu4 Mo16 N24 O52 -","4","1","","Zang, Hong-Ying; Lan, Ya-Qian; Yang, Guang-Sheng; Wang, Xin-Long; Shao, Kui-Zhan; Xu, Guang-Juan; Su, Zhong-Min","Construction and property investigation of transition-metal complexes modified octamolybdate hybrid materials based on V-shaped organic ligands","CrystEngComm","2010","12","2","434","","10.1039/b911881k","","","0.71069","MoKα","","0.0531","0.0374","","","0.088","0.0947","","","","","","1.048","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211651","28.368","0.006","11.144","0.002","16.695","0.003","90","","116.37","0.03","90","","4729","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H40 Co2 N14 O15 -","- C42 H40 Co2 N14 O15 -","- C168 H160 Co8 N56 O60 -","4","0.5","","Huang, Fu-Ping; Tian, Jin-Lei; Li, Dong-Dong; Chen, Gong-Jun; Gu, Wen; Yan, Shi-Ping; Liu, Xin; Liao, Dai-Zheng; Cheng, Peng","Pillared cobalt‒organic framework with an unprecedented (3,4,6)-connected architecture showing the coexistence of spin canting and long-range magnetic ordering","CrystEngComm","2010","12","2","395","","10.1039/b911950g","","","0.71073","MoKα","","0.0938","0.0635","","","0.1269","0.1407","","","","","","1.004","","","","has coordinates,has disorder","180447","2020-10-21","18:00:00",""
"7211652","10.241","0.003","10.613","0.003","15.096","0.004","108.329","0.003","107.359","0.003","96.187","0.003","1449.3","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 N4 O6 Zn -","- C32 H26 N4 O6 Zn -","- C64 H52 N8 O12 Zn2 -","2","1","","Li, Cheng-Peng; Yu, Qian; Zhang, Zhi-Hui; Du, Miao","Multifarious ZnII and CdII coordination frameworks constructed by a versatile trans-1-(2-pyridyl)-2-(4-pyridyl)ethylene tecton and various benzenedicarboxyl ligands","CrystEngComm","2010","12","3","834","","10.1039/b912001g","","","0.71073","MoKα","","0.0464","0.0379","","","0.1131","0.117","","","","","","1.117","","","","has coordinates,has disorder","180447","2020-10-21","18:00:00",""
"7211653","14.9647","0.0017","18.433","0.002","17.2557","0.0019","90","","111.517","0.002","90","","4428.2","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H42 Cd2 N4 O14 -","- C41 H38 Cd2 N4 O14 -","- C164 H152 Cd8 N16 O56 -","4","1","","Li, Cheng-Peng; Yu, Qian; Zhang, Zhi-Hui; Du, Miao","Multifarious ZnII and CdII coordination frameworks constructed by a versatile trans-1-(2-pyridyl)-2-(4-pyridyl)ethylene tecton and various benzenedicarboxyl ligands","CrystEngComm","2010","12","3","834","","10.1039/b912001g","","","0.71073","MoKα","","0.0648","0.0394","","","0.1003","0.1105","","","","","","1.008","","","","has coordinates,has disorder","180447","2020-10-21","18:00:00",""
"7211654","14.9754","0.0011","11.6808","0.0008","20.0188","0.0014","90","","108.963","0.001","90","","3311.7","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26.5 N4 O6.25 Zn -","- C32 H24 N4 O6.25 Zn -","- C128 H96 N16 O25 Zn4 -","4","1","","Li, Cheng-Peng; Yu, Qian; Zhang, Zhi-Hui; Du, Miao","Multifarious ZnII and CdII coordination frameworks constructed by a versatile trans-1-(2-pyridyl)-2-(4-pyridyl)ethylene tecton and various benzenedicarboxyl ligands","CrystEngComm","2010","12","3","834","","10.1039/b912001g","","","0.71073","MoKα","","0.0892","0.0593","","","0.1927","0.2159","","","","","","1.082","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7211655","14.855","0.0007","18.3497","0.0009","17.3074","0.0008","90","","109.786","0.001","90","","4439.2","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H42 Cd2 N4 O16 -","- C41 H38 Cd2 N4 O16 -","- C164 H152 Cd8 N16 O64 -","4","1","","Li, Cheng-Peng; Yu, Qian; Zhang, Zhi-Hui; Du, Miao","Multifarious ZnII and CdII coordination frameworks constructed by a versatile trans-1-(2-pyridyl)-2-(4-pyridyl)ethylene tecton and various benzenedicarboxyl ligands","CrystEngComm","2010","12","3","834","","10.1039/b912001g","","","0.71073","MoKα","","0.0341","0.0271","","","0.0716","0.0741","","","","","","1.055","","","","has coordinates,has disorder","180447","2020-10-21","18:00:00",""
"7211656","10.1817","0.0015","12.3737","0.0018","15.97","0.002","106.586","0.002","90.654","0.002","103.408","0.002","1869.2","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H30 N4 O9 Zn2 -","- C40 H28 N4 O9 Zn2 -","- C80 H56 N8 O18 Zn4 -","2","1","","Li, Cheng-Peng; Yu, Qian; Zhang, Zhi-Hui; Du, Miao","Multifarious ZnII and CdII coordination frameworks constructed by a versatile trans-1-(2-pyridyl)-2-(4-pyridyl)ethylene tecton and various benzenedicarboxyl ligands","CrystEngComm","2010","12","3","834","","10.1039/b912001g","","","0.71073","MoKα","","0.0525","0.0386","","","0.1089","0.1141","","","","","","1.108","","","","has coordinates,has disorder","180447","2020-10-21","18:00:00",""
"7211657","20.681","0.004","17.603","0.003","12.788","0.002","90","","105.997","0.002","90","","4475.2","1.4","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 Cd N2 O6 -","- C20 H18 Cd N2 O6 -","- C160 H144 Cd8 N16 O48 -","8","1","","Li, Cheng-Peng; Yu, Qian; Zhang, Zhi-Hui; Du, Miao","Multifarious ZnII and CdII coordination frameworks constructed by a versatile trans-1-(2-pyridyl)-2-(4-pyridyl)ethylene tecton and various benzenedicarboxyl ligands","CrystEngComm","2010","12","3","834","","10.1039/b912001g","","","0.71073","MoKα","","0.0532","0.0399","","","0.1072","0.1129","","","","","","1.069","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211658","11.9488","0.0013","18.454","0.002","14.4823","0.0015","90","","94.866","0.002","90","","3181.9","0.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H22 Br4 N4 O5 Zn -","- C32 H22 Br4 N4 O5 Zn -","- C128 H88 Br16 N16 O20 Zn4 -","4","1","","Li, Cheng-Peng; Yu, Qian; Zhang, Zhi-Hui; Du, Miao","Multifarious ZnII and CdII coordination frameworks constructed by a versatile trans-1-(2-pyridyl)-2-(4-pyridyl)ethylene tecton and various benzenedicarboxyl ligands","CrystEngComm","2010","12","3","834","","10.1039/b912001g","","","0.71073","MoKα","","0.0642","0.0361","","","0.0864","0.1002","","","","","","1.024","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211659","9.1883","0.0004","13.9263","0.0007","21.9249","0.001","90","","97.257","0.001","90","","2783","0.2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H28 Br12 Cd N4 O14 -","- C48 H28 Br12 Cd N4 O14 -","- C96 H56 Br24 Cd2 N8 O28 -","2","0.5","","Li, Cheng-Peng; Yu, Qian; Zhang, Zhi-Hui; Du, Miao","Multifarious ZnII and CdII coordination frameworks constructed by a versatile trans-1-(2-pyridyl)-2-(4-pyridyl)ethylene tecton and various benzenedicarboxyl ligands","CrystEngComm","2010","12","3","834","","10.1039/b912001g","","","0.71073","MoKα","","0.0473","0.034","","","0.091","0.0972","","","","","","1.011","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211660","10.252","0.0004","11.2447","0.0004","23.89","0.0008","103.24","0.005","91.368","0.005","90.574","0.005","2679.75","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H15 N3 O2 S -","- C13 H15 N3 O2 S -","- C104 H120 N24 O16 S8 -","8","4","","Nelyubina, Yulia V.; Antipin, Mikhail Yu.; Cherepanov, Iliya A.; Lyssenko, Konstantin A.","Pseudosymmetry as viewed using charge density analysis","CrystEngComm","2010","12","1","77","","10.1039/b912147a","","","0.71073","MoKα","","0.0546","0.0396","","","0.1036","0.1239","","","","","","1.004","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211661","12.644","0.003","13.825","0.003","15.768","0.003","98.332","0.015","102.598","0.015","108.716","0.016","2477.9","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H52 N9 O26 Zn3 -","- C39 H52 N9 O26 Zn3 -","- C78 H104 N18 O52 Zn6 -","2","1","","Han, Zheng-Bo; Zhang, Guo-Xin","Solvothermal synthesis of two unique metal‒organic frameworks: a 3-fold interpenetrating (3,4,5)-connected network and a 2-fold interpenetrating (4,5)-connected network","CrystEngComm","2010","12","2","348","","10.1039/b912158g","","","0.71073","MoKα","","0.0879","0.0506","","","0.119","0.1421","","","","","","1.012","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211662","21.545","0.005","13.381","0.002","8.679","0.003","90","","112.89","0.03","90","","2305.1","1.1","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C17 H22 N4 Na O12 Zn -","- C17 H16 N4 Na O12 Zn -","- C68 H64 N16 Na4 O48 Zn4 -","4","0.5","","Han, Zheng-Bo; Zhang, Guo-Xin","Solvothermal synthesis of two unique metal‒organic frameworks: a 3-fold interpenetrating (3,4,5)-connected network and a 2-fold interpenetrating (4,5)-connected network","CrystEngComm","2010","12","2","348","","10.1039/b912158g","","","0.71073","MoKα","","0.1046","0.0601","","","0.1416","0.1672","","","","","","1.015","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211663","18.732","0.006","12.684","0.005","19.629","0.007","90","","113.496","0.004","90","","4277","3","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H55 N5 O21 S4 -","- C33 H54 N5 O21 S4 -","- C132 H216 N20 O84 S16 -","4","1","","Das, Madhab C.; Ghosh, Sujit K.; Bharadwaj, Parimal K.","Diversity of binding of sulfate and nitrate anions with laterally asymmetric aza cryptands","CrystEngComm","2010","12","2","413","","10.1039/b912264h","","","0.71069","MoKα","","0.1025","0.0614","","","0.1467","0.2051","","","","","","1.084","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211664","10.947","0.004","25.408","0.006","15.235","0.005","90","","106.129","0.002","90","","4071","2","100","1","100","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H53 N9 O17 -","- C33 H53 N9 O17 -","- C132 H212 N36 O68 -","4","1","","Das, Madhab C.; Ghosh, Sujit K.; Bharadwaj, Parimal K.","Diversity of binding of sulfate and nitrate anions with laterally asymmetric aza cryptands","CrystEngComm","2010","12","2","413","","10.1039/b912264h","","","0.71069","MoKα","","0.0941","0.0617","","","0.1589","0.2042","","","","","","1.061","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211665","16.091","0.004","25.497","0.006","19.744","0.005","90","","93.33","0.005","90","","8087","3","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H57 N9 O17 -","- C33 H49 N9 O17 -","- C264 H392 N72 O136 -","8","2","","Das, Madhab C.; Ghosh, Sujit K.; Bharadwaj, Parimal K.","Diversity of binding of sulfate and nitrate anions with laterally asymmetric aza cryptands","CrystEngComm","2010","12","2","413","","10.1039/b912264h","","","0.71069","MoKα","","0.1139","0.0767","","","0.1643","0.2333","","","","","","1.108","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211666","21.972","0.005","21.972","0.005","21.972","0.005","90","","90","","90","","10607","4","100","1","100","1","","","","","","","","5","P 43 3 2","P 4acd 2ab 3","212","","","","- C11 H26 N1.67 O8 S0.5 -","- C11 H16 N1.66667 O8 S0.5 -","- C264 H384 N40 O192 S12 -","24","1","","Das, Madhab C.; Ghosh, Sujit K.; Bharadwaj, Parimal K.","Diversity of binding of sulfate and nitrate anions with laterally asymmetric aza cryptands","CrystEngComm","2010","12","2","413","","10.1039/b912264h","","","0.71069","MoKα","","0.1109","0.0701","","","0.1844","0.2485","","","","","","1.103","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211667","9.81","0.003","25.932","0.006","16.314","0.005","90","","98.869","0.006","90","","4101","2","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H54 N8 O18 S -","- C33 H50 N8 O18 S -","- C132 H200 N32 O72 S4 -","4","1","","Das, Madhab C.; Ghosh, Sujit K.; Bharadwaj, Parimal K.","Diversity of binding of sulfate and nitrate anions with laterally asymmetric aza cryptands","CrystEngComm","2010","12","2","413","","10.1039/b912264h","","","0.71069","MoKα","","0.1123","0.0787","","","0.1945","0.2255","","","","","","1.026","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211668","8.4268","0.0013","20.661","0.003","11.3627","0.0017","90","","100.242","0.002","90","","1946.8","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 Cl2 N4 Zn -","- C20 H14 Cl2 N4 Zn -","- C80 H56 Cl8 N16 Zn4 -","4","1","","Wang, Bao-Cheng; Wu, Qing-Ran; Hu, Huai-Ming; Chen, Xiao-Li; Yang, Zhen-Hua; Shangguan, Yi-Qing; Yang, Meng-Lin; Xue, Gang-Lin","Four novel Zn(II)/Cd(II) metal‒organic frameworks constructed from 4′-(4-pyridyl)-4,2′:6′,4″-terpyridine: hydrothermal synthesis, crystal structures, and luminescent properties","CrystEngComm","2010","12","2","485","","10.1039/b912415b","","","0.71073","MoKα","","0.057","0.0395","","","0.0823","0.0908","","","","","","1.039","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211669","26.694","0.007","9.283","0.003","17.354","0.005","90","","102.759","0.004","90","","4194","2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H30 N8 O9 Zn2 -","- C44 H28 N8 O9 Zn2 -","- C176 H112 N32 O36 Zn8 -","4","0.5","","Wang, Bao-Cheng; Wu, Qing-Ran; Hu, Huai-Ming; Chen, Xiao-Li; Yang, Zhen-Hua; Shangguan, Yi-Qing; Yang, Meng-Lin; Xue, Gang-Lin","Four novel Zn(II)/Cd(II) metal‒organic frameworks constructed from 4′-(4-pyridyl)-4,2′:6′,4″-terpyridine: hydrothermal synthesis, crystal structures, and luminescent properties","CrystEngComm","2010","12","2","485","","10.1039/b912415b","","","0.71073","MoKα","","0.0531","0.0406","","","0.1164","0.1259","","","","","","1.092","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211670","27.178","0.012","11.287","0.005","14.98","0.006","90","","107.48","0.005","90","","4383","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H19 Cd N4 O6 -","- C24 H17 Cd N4 O6 -","- C192 H136 Cd8 N32 O48 -","8","1","","Wang, Bao-Cheng; Wu, Qing-Ran; Hu, Huai-Ming; Chen, Xiao-Li; Yang, Zhen-Hua; Shangguan, Yi-Qing; Yang, Meng-Lin; Xue, Gang-Lin","Four novel Zn(II)/Cd(II) metal‒organic frameworks constructed from 4′-(4-pyridyl)-4,2′:6′,4″-terpyridine: hydrothermal synthesis, crystal structures, and luminescent properties","CrystEngComm","2010","12","2","485","","10.1039/b912415b","","","0.71073","MoKα","","0.0896","0.0535","","","0.1186","0.1364","","","","","","1.034","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211671","35.332","0.01","10.979","0.003","16.158","0.005","90","","116.232","0.004","90","","5622","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H18 N4 O7 Zn2 -","- C29 H13 N4 O7 Zn2 -","- C232 H104 N32 O56 Zn16 -","8","1","","Wang, Bao-Cheng; Wu, Qing-Ran; Hu, Huai-Ming; Chen, Xiao-Li; Yang, Zhen-Hua; Shangguan, Yi-Qing; Yang, Meng-Lin; Xue, Gang-Lin","Four novel Zn(II)/Cd(II) metal‒organic frameworks constructed from 4′-(4-pyridyl)-4,2′:6′,4″-terpyridine: hydrothermal synthesis, crystal structures, and luminescent properties","CrystEngComm","2010","12","2","485","","10.1039/b912415b","","","0.71073","MoKα","","0.0943","0.0567","","","0.1584","0.1818","","","","","","1.042","","","","has coordinates,has disorder","180447","2020-10-21","18:00:00",""
"7211672","12.1694","0.0003","13.9841","0.0004","14.3235","0.0004","90","","105.557","0.002","90","","2348.24","0.11","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 Br2 N9 O S -","- C19 H17 Br2 N9 O S -","- C76 H68 Br8 N36 O4 S4 -","4","1","","Pramanik, Avijit; Majumdar, Subhojit; Das, Gopal","Aryl azo imidazoles assisted assembly of anion/anion‒water through salt formation","CrystEngComm","2010","12","1","250","","10.1039/b912454c","","","0.71073","MoKα","","0.0832","0.0448","","","0.0893","0.1091","","","","","","0.995","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211673","4.8835","0.0001","10.172","0.0003","27.4296","0.0008","90","","91.328","0.002","90","","1362.2","0.06","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H10 I N5 O4 -","- C9 H10 I N5 O4 -","- C36 H40 I4 N20 O16 -","4","1","","Pramanik, Avijit; Majumdar, Subhojit; Das, Gopal","Aryl azo imidazoles assisted assembly of anion/anion‒water through salt formation","CrystEngComm","2010","12","1","250","","10.1039/b912454c","","","0.71073","MoKα","","0.0583","0.0343","","","0.0675","0.0752","","","","","","1.05","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211674","5.6044","0.0001","8.8412","0.0002","29.3023","0.0006","90","","95.347","0.001","90","","1445.6","0.05","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H10 Cl I N4 O5 -","- C9 H10 Cl I N4 O5 -","- C36 H40 Cl4 I4 N16 O20 -","4","1","","Pramanik, Avijit; Majumdar, Subhojit; Das, Gopal","Aryl azo imidazoles assisted assembly of anion/anion‒water through salt formation","CrystEngComm","2010","12","1","250","","10.1039/b912454c","","","0.71073","MoKα","","0.0485","0.0356","","","0.0963","0.1054","","","","","","1.028","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211675","6.8263","0.0002","11.5549","0.0003","17.0562","0.0004","90","","96.788","0.001","90","","1335.92","0.06","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 N5 O3 -","- C13 H11 N5 O3 -","- C52 H44 N20 O12 -","4","1","","Pramanik, Avijit; Majumdar, Subhojit; Das, Gopal","Aryl azo imidazoles assisted assembly of anion/anion‒water through salt formation","CrystEngComm","2010","12","1","250","","10.1039/b912454c","","","0.71073","MoKα","","0.0898","0.0473","","","0.1172","0.1473","","","","","","1.004","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211676","5.6061","0.0002","15.8135","0.0006","14.0347","0.0005","90","","97.281","0.002","90","","1234.17","0.08","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H23 N9 O4 -","- C26 H23 N9 O4 -","- C52 H46 N18 O8 -","2","1","","Pramanik, Avijit; Majumdar, Subhojit; Das, Gopal","Aryl azo imidazoles assisted assembly of anion/anion‒water through salt formation","CrystEngComm","2010","12","1","250","","10.1039/b912454c","","","0.71073","MoKα","","0.083","0.0519","","","0.1135","0.1445","","","","","","0.98","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211677","15.617","0.007","4.819","0.002","16.3","0.007","90","","90.27","0.017","90","","1226.7","0.9","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","4-picoline chloranilate","4-picoline chloranilate","","- C12 H9 Cl2 N O4 -","- C12 H9 Cl2 N O4 -","- C48 H36 Cl8 N4 O16 -","4","1","","Adam, Martin S.; Parkin, Andrew; Thomas, Lynne H.; Wilson, Chick C.","Bifurcated hydrogen-bonded synthons in molecular complexes of picolines with chloranilic acid","CrystEngComm","2010","12","3","917","","10.1039/b912539f","","","0.71073","MoKα","","0.0874","0.0548","","0.1139","","0.1139","","","","","","0.895","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211678","7.952","0.005","6.126","0.003","17.658","0.008","90","","96.73","0.03","90","","854.3","0.8","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis (4-picoline) chloranilate","bis (4-picoline) chloranilate","","- C18 H16 Cl2 N2 O4 -","- C18 H16 Cl2 N2 O4 -","- C36 H32 Cl4 N4 O8 -","2","0.5","","Adam, Martin S.; Parkin, Andrew; Thomas, Lynne H.; Wilson, Chick C.","Bifurcated hydrogen-bonded synthons in molecular complexes of picolines with chloranilic acid","CrystEngComm","2010","12","3","917","","10.1039/b912539f","","","0.71073","MoKα","","0.0986","0.0613","","0.1062","","0.1062","","","","","","1.049","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211679","8.037","0.005","6.099","0.003","17.679","0.008","90","","96.56","0.03","90","","860.9","0.8","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis (4-picoline) chloranilate","bis (4-picoline) chloranilate","","- C18 H16 Cl2 N2 O4 -","- C18 H16 Cl2 N2 O4 -","- C36 H32 Cl4 N4 O8 -","2","0.5","","Adam, Martin S.; Parkin, Andrew; Thomas, Lynne H.; Wilson, Chick C.","Bifurcated hydrogen-bonded synthons in molecular complexes of picolines with chloranilic acid","CrystEngComm","2010","12","3","917","","10.1039/b912539f","","","0.71073","MoKα","","0.0758","0.0437","","0.0539","","0.0539","","","","","","1.045","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211680","8.192","0.005","6.099","0.002","17.721","0.009","90","","96.259","0.019","90","","880.1","0.8","300","","300","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis (4-picoline) chloranilate","bis (4-picoline) chloranilate","","- C18 H16 Cl2 N2 O4 -","- C18 H16 Cl2 N2 O4 -","- C36 H32 Cl4 N4 O8 -","2","0.5","","Adam, Martin S.; Parkin, Andrew; Thomas, Lynne H.; Wilson, Chick C.","Bifurcated hydrogen-bonded synthons in molecular complexes of picolines with chloranilic acid","CrystEngComm","2010","12","3","917","","10.1039/b912539f","","","0.71073","MoKα","","0.0997","0.0446","","0.0844","","0.0844","","","","","","0.992","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211681","7.268","0.009","8.957","0.009","16.925","0.018","90","","98.2","0.04","90","","1091","2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","bis(4-picoline) chloranilate tetrahydrate","bis(4-picoline) chloranilate tetrahydrate","","- C18 H24 Cl2 N2 O8 -","- C18 H24 Cl2 N2 O8 -","- C36 H48 Cl4 N4 O16 -","2","0.5","","Adam, Martin S.; Parkin, Andrew; Thomas, Lynne H.; Wilson, Chick C.","Bifurcated hydrogen-bonded synthons in molecular complexes of picolines with chloranilic acid","CrystEngComm","2010","12","3","917","","10.1039/b912539f","","","0.71073","MoKα","","0.1174","0.0668","","0.1592","0.1405","0.1592","","","","","","0.9457","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211682","7.3752","0.0015","9.1468","0.0018","9.7296","0.0019","101.63","0.03","103.92","0.03","97.45","0.03","612.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","2-picoline chloranilate","","","- C12 H9 Cl2 N O4 -","- C12 H9 Cl2 N O4 -","- C24 H18 Cl4 N2 O8 -","2","1","","Adam, Martin S.; Parkin, Andrew; Thomas, Lynne H.; Wilson, Chick C.","Bifurcated hydrogen-bonded synthons in molecular complexes of picolines with chloranilic acid","CrystEngComm","2010","12","3","917","","10.1039/b912539f","","","0.71073","MoKα","","0.0337","0.0298","","0.08","","0.0849","","","","","","1.055","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211683","6.369","0.003","8.597","0.003","16.628","0.006","90","","101.451","0.017","90","","892.3","0.6","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(2-picoline) chloranilate","bis(2-picoline) chloranilate","","- C18 H16 Cl2 N2 O4 -","- C18 H16 Cl2 N2 O4 -","- C36 H32 Cl4 N4 O8 -","2","0.5","","Adam, Martin S.; Parkin, Andrew; Thomas, Lynne H.; Wilson, Chick C.","Bifurcated hydrogen-bonded synthons in molecular complexes of picolines with chloranilic acid","CrystEngComm","2010","12","3","917","","10.1039/b912539f","","","0.71073","MoKα","","0.0557","0.0441","","0.0955","","0.1113","","","","","","1.05","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211684","6.398","0.003","8.657","0.004","16.684","0.007","90","","101.23","0.02","90","","906.4","0.7","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(2-picoline) chloranilate","bis(2-picoline) chloranilate","","- C18 H16 Cl2 N2 O4 -","- C18 H16 Cl2 N2 O4 -","- C36 H32 Cl4 N4 O8 -","2","0.5","","Adam, Martin S.; Parkin, Andrew; Thomas, Lynne H.; Wilson, Chick C.","Bifurcated hydrogen-bonded synthons in molecular complexes of picolines with chloranilic acid","CrystEngComm","2010","12","3","917","","10.1039/b912539f","","","0.71073","MoKα","","0.0646","0.046","","0.1218","","0.1007","","","","","","1.055","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211685","6.419","0.003","8.692","0.004","16.727","0.007","90","","101.031","0.019","90","","916","0.7","300","","300","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(2-picoline) chloranilate","bis(2-picoline) chloranilate","","- C18 H16 Cl2 N2 O4 -","- C18 H16 Cl2 N2 O4 -","- C36 H32 Cl4 N4 O8 -","2","0.5","","Adam, Martin S.; Parkin, Andrew; Thomas, Lynne H.; Wilson, Chick C.","Bifurcated hydrogen-bonded synthons in molecular complexes of picolines with chloranilic acid","CrystEngComm","2010","12","3","917","","10.1039/b912539f","","","0.71073","MoKα","","0.0755","0.0462","","0.1046","","0.1379","","","","","","1.046","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211686","5.0366","0.0002","9.3637","0.0004","13.3491","0.0007","97.669","0.002","98.579","0.003","103.66","0.002","595.51","0.05","100","","100","","","","","","","","","5","P -1","-P 1","2","3-picoline chloranilate","3-picoline chloranilate","","- C24 H18 Cl4 N2 O8 -","- C24 H18 Cl4 N2 O8 -","- C24 H18 Cl4 N2 O8 -","1","0.5","","Adam, Martin S.; Parkin, Andrew; Thomas, Lynne H.; Wilson, Chick C.","Bifurcated hydrogen-bonded synthons in molecular complexes of picolines with chloranilic acid","CrystEngComm","2010","12","3","917","","10.1039/b912539f","","","0.71073","MoKα","","0.0619","0.0379","","0.0941","","0.09","","","","","","1.017","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211687","5.0539","0.0002","9.3895","0.0005","13.4239","0.0008","97.829","0.002","98.064","0.003","103.501","0.003","603.77","0.06","200","","200","","","","","","","","","5","P -1","-P 1","2","3-picoline chloranilate","3-picoline chloranilate","","- C24 H18 Cl4 N2 O8 -","- C24 H18 Cl4 N2 O8 -","- C24 H18 Cl4 N2 O8 -","1","0.5","","Adam, Martin S.; Parkin, Andrew; Thomas, Lynne H.; Wilson, Chick C.","Bifurcated hydrogen-bonded synthons in molecular complexes of picolines with chloranilic acid","CrystEngComm","2010","12","3","917","","10.1039/b912539f","","","0.71073","MoKα","","0.0852","0.0438","","0.1151","","0.1151","","","","","","1.016","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211688","5.0718","0.0002","9.4052","0.0005","13.5038","0.0008","98.035","0.002","97.534","0.003","103.372","0.003","611.54","0.06","300","","300","","","","","","","","","5","P -1","-P 1","2","3-picoline chloranilate","3-picoline chloranilate","","- C24 H18 Cl4 N2 O8 -","- C24 H18 Cl4 N2 O8 -","- C24 H18 Cl4 N2 O8 -","1","0.5","","Adam, Martin S.; Parkin, Andrew; Thomas, Lynne H.; Wilson, Chick C.","Bifurcated hydrogen-bonded synthons in molecular complexes of picolines with chloranilic acid","CrystEngComm","2010","12","3","917","","10.1039/b912539f","","","0.71073","MoKα","","0.122","0.0522","","0.1423","","0.1261","","","","","","1.026","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211689","8.642","0.004","9.687","0.004","10.279","0.005","90","","102.08","0.02","90","","841.5","0.7","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(3-picoline) chloranilate","bis(3-picoline) chloranilate","","- C18 H16 Cl2 N2 O4 -","- C18 H16 Cl2 N2 O4 -","- C36 H32 Cl4 N4 O8 -","2","0.5","","Adam, Martin S.; Parkin, Andrew; Thomas, Lynne H.; Wilson, Chick C.","Bifurcated hydrogen-bonded synthons in molecular complexes of picolines with chloranilic acid","CrystEngComm","2010","12","3","917","","10.1039/b912539f","","","0.71073","MoKα","","0.047","0.039","","0.128","","0.128","","","","","","1.159","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211690","8.668","0.004","9.737","0.004","10.376","0.005","90","","102.55","0.02","90","","854.8","0.7","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(3-picoline) chloranilate","bis(3-picoline) chloranilate","","- C18 H16 Cl2 N2 O4 -","- C18 H16 Cl2 N2 O4 -","- C36 H32 Cl4 N4 O8 -","2","0.5","","Adam, Martin S.; Parkin, Andrew; Thomas, Lynne H.; Wilson, Chick C.","Bifurcated hydrogen-bonded synthons in molecular complexes of picolines with chloranilic acid","CrystEngComm","2010","12","3","917","","10.1039/b912539f","","","0.71073","MoKα","","0.0475","0.0385","","0.0997","","0.0997","","","","","","1.033","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211691","8.699","0.005","9.795","0.005","10.486","0.005","90","","103.09","0.02","90","","870.3","0.8","300","","300","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(3-picoline) chloranilate","bis(3-picoline) chloranilate","","- C18 H16 Cl2 N2 O4 -","- C18 H16 Cl2 N2 O4 -","- C36 H32 Cl4 N4 O8 -","2","0.5","","Adam, Martin S.; Parkin, Andrew; Thomas, Lynne H.; Wilson, Chick C.","Bifurcated hydrogen-bonded synthons in molecular complexes of picolines with chloranilic acid","CrystEngComm","2010","12","3","917","","10.1039/b912539f","","","0.71073","MoKα","","0.0637","0.0458","","0.1095","","0.1095","","","","","","1.059","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211692","12.049","0.0005","5.326","0.0001","13.5813","0.0006","90","","96.958","0.002","90","","865.13","0.06","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","bis(3-picoline) chloranilate","bis(3-picoline) chloranilate","","- C18 H16 Cl2 N2 O4 -","- C18 H16 Cl2 N2 O4 -","- C36 H32 Cl4 N4 O8 -","2","0.5","","Adam, Martin S.; Parkin, Andrew; Thomas, Lynne H.; Wilson, Chick C.","Bifurcated hydrogen-bonded synthons in molecular complexes of picolines with chloranilic acid","CrystEngComm","2010","12","3","917","","10.1039/b912539f","","","0.71073","MoKα","","0.0836","0.0473","","0.1336","","0.1127","","","","","","1.035","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211693","7.167","0.003","12.221","0.006","13.381","0.007","71.414","0.016","86.29","0.02","88.917","0.016","1108.6","0.9","100","","100","","","","","","","","","5","P -1","-P 1","2","3-picoline chloranilate hemihydrate","3-picoline chloranilate hemihydrate","","- C42 H38 Cl6 N4 O14 -","- C42 H38 Cl6 N4 O14 -","- C42 H38 Cl6 N4 O14 -","1","0.5","","Adam, Martin S.; Parkin, Andrew; Thomas, Lynne H.; Wilson, Chick C.","Bifurcated hydrogen-bonded synthons in molecular complexes of picolines with chloranilic acid","CrystEngComm","2010","12","3","917","","10.1039/b912539f","","","0.71073","MoKα","","0.0753","0.0439","","0.1045","","0.1424","","","","","","1.035","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211694","7.205","0.002","12.267","0.004","13.453","0.005","71.274","0.013","86.638","0.016","89.577","0.013","1124.1","0.6","200","","200","","","","","","","","","5","P -1","-P 1","2","3-picoline chloranilate hemihydrate","3-picoline chloranilate hemihydrate","","- C42 H38 Cl6 N4 O14 -","- C42 H38 Cl6 N4 O14 -","- C42 H38 Cl6 N4 O14 -","1","0.5","","Adam, Martin S.; Parkin, Andrew; Thomas, Lynne H.; Wilson, Chick C.","Bifurcated hydrogen-bonded synthons in molecular complexes of picolines with chloranilic acid","CrystEngComm","2010","12","3","917","","10.1039/b912539f","","","0.71073","MoKα","","0.065","0.0392","","0.0711","","0.101","","","","","","1.078","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211695","7.257","0.006","12.299","0.009","13.5378","0.0012","71.11","0.03","87.03","0.04","90.31","0.03","1141.4","1.3","300","","300","","","","","","","","","5","P -1","-P 1","2","3-picoline chloranilate hemihydrate","3-picoline chloranilate hemihydrate","","- C42 H38 Cl6 N4 O14 -","- C42 H38 Cl6 N4 O14 -","- C42 H38 Cl6 N4 O14 -","1","0.5","","Adam, Martin S.; Parkin, Andrew; Thomas, Lynne H.; Wilson, Chick C.","Bifurcated hydrogen-bonded synthons in molecular complexes of picolines with chloranilic acid","CrystEngComm","2010","12","3","917","","10.1039/b912539f","","","0.71073","MoKα","","0.0891","0.0442","","0.1309","","0.1309","","","","","","1.0276","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211696","20.276","0.002","20.276","0.002","20.276","0.002","90","","90","","90","","8335.8","1.4","293","2","293","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- C8 H8.83 Cu2 O11.42 -","- C8 H8.82667 Cu2 O11.4167 -","- C192 H211.84 Cu48 O274 -","24","1","","Liu, Chun-Sen; Sañudo, E. Carolina; Hu, Min; Zhou, Li-Ming; Guo, Liang-Qi; Ma, Song-Tao; Gao, Li-Jun; Fang, Shao-Ming","Metal‒organic coordination polymers based on a flexible tetrahydrofuran-2,3,4,5-tetracarboxylate ligand: syntheses, crystal structures, and magnetic/photoluminescent properties","CrystEngComm","2010","12","3","853","","10.1039/b912972n","","","0.71073","MoKα","","0.0456","0.0456","","","0.1528","0.1529","","","","","","1.077","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211697","12.2599","0.0013","22.356","0.002","8.8705","0.0009","90","","92.112","0.001","90","","2429.6","0.4","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C18 H20 Cu2 N2 O13 -","- C18 H20 Cu2 N2 O13 -","- C72 H80 Cu8 N8 O52 -","4","1","","Liu, Chun-Sen; Sañudo, E. Carolina; Hu, Min; Zhou, Li-Ming; Guo, Liang-Qi; Ma, Song-Tao; Gao, Li-Jun; Fang, Shao-Ming","Metal‒organic coordination polymers based on a flexible tetrahydrofuran-2,3,4,5-tetracarboxylate ligand: syntheses, crystal structures, and magnetic/photoluminescent properties","CrystEngComm","2010","12","3","853","","10.1039/b912972n","","","0.71073","MoKα","","0.0304","0.0292","","","0.0842","0.0852","","","","","","1.083","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211698","8.8222","0.0018","23.392","0.005","15.038","0.005","90","","124.92","0.02","90","","2544.6","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20.25 H20 Cu2 N2 O12.75 -","- C20.25 H20 Cu2 N2 O12.75 -","- C81 H80 Cu8 N8 O51 -","4","1","","Liu, Chun-Sen; Sañudo, E. Carolina; Hu, Min; Zhou, Li-Ming; Guo, Liang-Qi; Ma, Song-Tao; Gao, Li-Jun; Fang, Shao-Ming","Metal‒organic coordination polymers based on a flexible tetrahydrofuran-2,3,4,5-tetracarboxylate ligand: syntheses, crystal structures, and magnetic/photoluminescent properties","CrystEngComm","2010","12","3","853","","10.1039/b912972n","","","0.71073","MoKα","","0.0619","0.0566","","","0.1653","0.1707","","","","","","1.116","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211699","10.194","0.002","13.637","0.003","21.57","0.004","90","","98.92","0.03","90","","2962.3","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H26 Mn2 N4 O12 -","- C32 H26 Mn2 N4 O12 -","- C128 H104 Mn8 N16 O48 -","4","1","","Liu, Chun-Sen; Sañudo, E. Carolina; Hu, Min; Zhou, Li-Ming; Guo, Liang-Qi; Ma, Song-Tao; Gao, Li-Jun; Fang, Shao-Ming","Metal‒organic coordination polymers based on a flexible tetrahydrofuran-2,3,4,5-tetracarboxylate ligand: syntheses, crystal structures, and magnetic/photoluminescent properties","CrystEngComm","2010","12","3","853","","10.1039/b912972n","","","0.71073","MoKα","","0.0839","0.066","","","0.134","0.1439","","","","","","1.166","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211700","10.292","0.012","13.955","0.016","22.615","0.018","90","","108.06","0.04","90","","3088","6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 Cd2 N4 O12 -","- C32 H26 Cd2 N4 O12 -","- C128 H104 Cd8 N16 O48 -","4","1","","Liu, Chun-Sen; Sañudo, E. Carolina; Hu, Min; Zhou, Li-Ming; Guo, Liang-Qi; Ma, Song-Tao; Gao, Li-Jun; Fang, Shao-Ming","Metal‒organic coordination polymers based on a flexible tetrahydrofuran-2,3,4,5-tetracarboxylate ligand: syntheses, crystal structures, and magnetic/photoluminescent properties","CrystEngComm","2010","12","3","853","","10.1039/b912972n","","","0.71073","MoKα","","0.1564","0.0825","","","0.1871","0.2395","","","","","","1.025","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211701","20.5223","0.0006","20.5223","0.0006","20.5223","0.0006","90","","90","","90","","8643.3","0.4","293","2","293","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- C8 H8.67 O11.33 Zn2 -","- C8 H8.66 O11.3333 Zn2 -","- C192 H207.84 O272 Zn48 -","24","1","","Liu, Chun-Sen; Sañudo, E. Carolina; Hu, Min; Zhou, Li-Ming; Guo, Liang-Qi; Ma, Song-Tao; Gao, Li-Jun; Fang, Shao-Ming","Metal‒organic coordination polymers based on a flexible tetrahydrofuran-2,3,4,5-tetracarboxylate ligand: syntheses, crystal structures, and magnetic/photoluminescent properties","CrystEngComm","2010","12","3","853","","10.1039/b912972n","","","0.71073","MoKα","","0.0442","0.0328","","","0.0858","0.0901","","","","","","1.075","","","","has coordinates,has disorder","180448","2020-10-21","18:00:00",""
"7211702","12.369","0.005","8.867","0.002","11.904","0.007","90","","117.17","0.04","90","","1161.5","1","294","2","294","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H15 F N2 O2 -","- C10 H15 F N2 O2 -","- C40 H60 F4 N8 O8 -","4","1","","Barceló-Oliver, Miquel; Estarellas, Carolina; García-Raso, Angel; Terrón, Angel; Frontera, Antonio; Quiñonero, David; Molins, Elies; Deyà, Pere M.","Lone pair‒πvsπ‒π interactions in 5-fluoro-1-hexyluracil and 1-hexyluracil: a combined crystallographic and computational study","CrystEngComm","2010","12","2","362","","10.1039/b913111f","","x-ray","0.71073","MoKα","","0.2321","0.1013","","","0.3588","0.416","","","","","","1.117","","","","has coordinates,has disorder","180448","2020-10-21","18:00:00",""
"7211703","13.111","0.004","13.285","0.008","13.332","0.006","90.66","0.07","102.36","0.05","94.35","0.04","2260.9","1.9","294","2","294","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C10 H16 N2 O2 -","- C10 H16 N2 O2 -","- C80 H128 N16 O16 -","8","4","","Barceló-Oliver, Miquel; Estarellas, Carolina; García-Raso, Angel; Terrón, Angel; Frontera, Antonio; Quiñonero, David; Molins, Elies; Deyà, Pere M.","Lone pair‒πvsπ‒π interactions in 5-fluoro-1-hexyluracil and 1-hexyluracil: a combined crystallographic and computational study","CrystEngComm","2010","12","2","362","","10.1039/b913111f","","x-ray","0.71073","MoKα","","0.3291","0.108","","","0.2664","0.3354","","","","","","0.929","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211704","13.424","0.002","4.2191","0.0007","20.596","0.004","90","","95.748","0.002","90","","1160.6","0.3","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H7 Br2 Hg N3 -","- C9 H7 Br2 Hg N3 -","- C36 H28 Br8 Hg4 N12 -","4","1","","Wang, Duo-Zhi; Hu, Tong-Liang; Zhao, Jiong-Peng; Bu, Xian-He","Metal‒organic coordination architectures of bis(1,2,4-triazole) ligands bearing different spacers: syntheses, structures and luminescent properties","CrystEngComm","2010","12","11","3587","","10.1039/b913147g","","","0.71073","MoKα","","0.0803","0.0654","","","0.1771","0.1918","","","","","","1.117","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211705","9.324","0.003","15.989","0.005","15.217","0.005","90","","98.827","0.006","90","","2241.7","1.2","294","2","294","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C36 H48 Cl2 Mn N12 O8 -","- C36 H32 Cl2 Mn N12 O8 -","- C72 H64 Cl4 Mn2 N24 O16 -","2","0.25","","Wang, Duo-Zhi; Hu, Tong-Liang; Zhao, Jiong-Peng; Bu, Xian-He","Metal‒organic coordination architectures of bis(1,2,4-triazole) ligands bearing different spacers: syntheses, structures and luminescent properties","CrystEngComm","2010","12","11","3587","","10.1039/b913147g","","","0.71073","MoKα","","0.0991","0.0675","","","0.1807","0.2073","","","","","","1.072","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211706","10.017","0.003","14.126","0.003","16.534","0.004","90","","102.947","0.005","90","","2280.1","1","273","2","294","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C36 H48 Cl2 Cu N12 O8 -","- C36 H32 Cl2 Cu N12 O8 -","- C72 H64 Cl4 Cu2 N24 O16 -","2","0.25","","Wang, Duo-Zhi; Hu, Tong-Liang; Zhao, Jiong-Peng; Bu, Xian-He","Metal‒organic coordination architectures of bis(1,2,4-triazole) ligands bearing different spacers: syntheses, structures and luminescent properties","CrystEngComm","2010","12","11","3587","","10.1039/b913147g","","","0.71073","MoKα","","0.0794","0.0677","","","0.1748","0.1912","","","","","","0.94","","","","has coordinates,has disorder","180448","2020-10-21","18:00:00",""
"7211707","21.177","0.005","23.657","0.006","11.481","0.003","90","","90","","90","","5752","2","294","2","294","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C51 H51 Cd Cl5 N18 O10 -","- C51 H42 Cd Cl5 N18 O10 -","- C204 H168 Cd4 Cl20 N72 O40 -","4","0.5","","Wang, Duo-Zhi; Hu, Tong-Liang; Zhao, Jiong-Peng; Bu, Xian-He","Metal‒organic coordination architectures of bis(1,2,4-triazole) ligands bearing different spacers: syntheses, structures and luminescent properties","CrystEngComm","2010","12","11","3587","","10.1039/b913147g","","","0.71073","MoKα","","0.1042","0.0575","","","0.1532","0.1968","","","","","","0.983","","","","has coordinates,has disorder","180448","2020-10-21","18:00:00",""
"7211708","22.443","0.019","12.176","0.011","7.998","0.007","90","","107.921","0.019","90","","2080","3","294","2","294","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C34 H38 Cd N14 O9 -","- C34 H28 Cd N14 O9 -","- C68 H56 Cd2 N28 O18 -","2","0.25","","Wang, Duo-Zhi; Hu, Tong-Liang; Zhao, Jiong-Peng; Bu, Xian-He","Metal‒organic coordination architectures of bis(1,2,4-triazole) ligands bearing different spacers: syntheses, structures and luminescent properties","CrystEngComm","2010","12","11","3587","","10.1039/b913147g","","","0.71073","MoKα","","0.0719","0.0596","","","0.167","0.1901","","","","","","1.004","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211709","10.252","0.002","13.494","0.003","27.698","0.006","90","","97.34","0.03","90","","3800.4","1.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H34 Cd N14 O7 -","- C36 H32 Cd N14 O7 -","- C144 H128 Cd4 N56 O28 -","4","0.5","","Wang, Duo-Zhi; Hu, Tong-Liang; Zhao, Jiong-Peng; Bu, Xian-He","Metal‒organic coordination architectures of bis(1,2,4-triazole) ligands bearing different spacers: syntheses, structures and luminescent properties","CrystEngComm","2010","12","11","3587","","10.1039/b913147g","","","0.71073","MoKα","","0.0857","0.0737","","","0.2557","0.2732","","","","","","1.065","","","","has coordinates,has disorder","180448","2020-10-21","18:00:00",""
"7211711","8.5795","0.001","13.7534","0.0012","20.8299","0.0018","90","","90","","90","","2457.9","0.4","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 Bi Cu N5 O13 -","- C20 H22 Bi Cu N5 O13 -","- C80 H88 Bi4 Cu4 N20 O52 -","4","1","","Hazra, Susanta; Sasmal, Sujit; Nayak, Malabika; Sparkes, Hazel A.; Howard, Judith A. K.; Mohanta, Sasankasekhar","Syntheses and crystal structures of CuIIBiIII, CuIIBaIICuII, [CuIIPbII]2 and cocrystallized (UVIO2)2.4CuII complexes: structural diversity of the coordination compounds derived from N,N′-ethylenebis(3-ethoxysalicylaldiimine)","CrystEngComm","2010","12","2","470","","10.1039/b913408e","","","0.71073","MoKα","","0.0168","0.0151","","","0.0353","0.0358","","","","","","0.818","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211712","11.7008","0.0002","31.3666","0.0006","12.3487","0.0002","90","","113.234","0.001","90","","4164.6","0.13","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H44 Ba Cu2 N6 O14.2 -","- C40 H44 Ba Cu2 N6 O14.2 -","- C160 H176 Ba4 Cu8 N24 O56.8 -","4","1","","Hazra, Susanta; Sasmal, Sujit; Nayak, Malabika; Sparkes, Hazel A.; Howard, Judith A. K.; Mohanta, Sasankasekhar","Syntheses and crystal structures of CuIIBiIII, CuIIBaIICuII, [CuIIPbII]2 and cocrystallized (UVIO2)2.4CuII complexes: structural diversity of the coordination compounds derived from N,N′-ethylenebis(3-ethoxysalicylaldiimine)","CrystEngComm","2010","12","2","470","","10.1039/b913408e","","","0.71073","MoKα","","0.0389","0.0283","","","0.0642","0.0696","","","","","","1.007","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7211713","14.368","0.002","13.59","0.002","12.525","0.002","90","","106.438","0.007","90","","2345.7","0.6","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H44 Cu2 N8 O20 Pb2 -","- C40 H44 Cu2 N8 O20 Pb2 -","- C80 H88 Cu4 N16 O40 Pb4 -","2","0.5","","Hazra, Susanta; Sasmal, Sujit; Nayak, Malabika; Sparkes, Hazel A.; Howard, Judith A. K.; Mohanta, Sasankasekhar","Syntheses and crystal structures of CuIIBiIII, CuIIBaIICuII, [CuIIPbII]2 and cocrystallized (UVIO2)2.4CuII complexes: structural diversity of the coordination compounds derived from N,N′-ethylenebis(3-ethoxysalicylaldiimine)","CrystEngComm","2010","12","2","470","","10.1039/b913408e","","","0.71073","MoKα","","0.0253","0.023","","","0.0548","0.0558","","","","","","1.067","","","","has coordinates,has disorder","180448","2020-10-21","18:00:00",""
"7211714","12.6881","0.0004","13.5598","0.0005","15.4935","0.0007","115.935","0.001","96.193","0.001","100.846","0.001","2299.13","0.15","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H48 Cu2 N6 O19 U -","- C40 H48 Cu2 N6 O19 U -","- C80 H96 Cu4 N12 O38 U2 -","2","1","","Hazra, Susanta; Sasmal, Sujit; Nayak, Malabika; Sparkes, Hazel A.; Howard, Judith A. K.; Mohanta, Sasankasekhar","Syntheses and crystal structures of CuIIBiIII, CuIIBaIICuII, [CuIIPbII]2 and cocrystallized (UVIO2)2.4CuII complexes: structural diversity of the coordination compounds derived from N,N′-ethylenebis(3-ethoxysalicylaldiimine)","CrystEngComm","2010","12","2","470","","10.1039/b913408e","","","0.71073","MoKα","","0.0201","0.0187","","","0.0484","0.049","","","","","","1.062","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211715","15.809","0.007","16.566","0.008","21.461","0.008","90","","90","","90","","5620","4","100","2","100","2","","","","","","","synthesis as described","6","P b c a","-P 2ac 2ab","61","","tetraethylammonium thiocyanate, bis[(1,2-diiodo)tetrafluorobenzene]","","- C21 H20 F8 I4 N2 S -","- C21 H20 F8 I4 N2 S -","- C168 H160 F64 I32 N16 S8 -","8","1","","Cauliez, Pascal; Polo, Victor; Roisnel, Thierry; Llusar, Rosa; Fourmigué, Marc","The thiocyanate anion as a polydentate halogen bond acceptor","CrystEngComm","2010","12","2","558","","10.1039/b913559f","","x-ray","0.71073","MoKα","","0.077","0.0518","","","0.126","0.1418","","","","","","0.988","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211716","17.7404","0.0008","22.8074","0.001","12.1785","0.0006","90","","126.259","0.001","90","","3973.4","0.3","100","2","100","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","tetraethylammonium thiocyanate, 1,3-diiodotetrafluorobenzene","","- C15 H20 F4 I2 N2 S -","- C15 H20 F4 I2 N2 S -","- C120 H160 F32 I16 N16 S8 -","8","1","","Cauliez, Pascal; Polo, Victor; Roisnel, Thierry; Llusar, Rosa; Fourmigué, Marc","The thiocyanate anion as a polydentate halogen bond acceptor","CrystEngComm","2010","12","2","558","","10.1039/b913559f","","x-ray","0.71073","MoKα","","0.0236","0.0216","","","0.0531","0.0544","","","","","","1.058","","","","has coordinates,has disorder","180448","2020-10-21","18:00:00",""
"7211717","16.4673","0.0012","16.426","0.0014","24.711","0.002","90","","91.847","0.003","90","","6680.7","0.9","100","2","100","2","","","","","","","synthesis as described","6","P 1 2/a 1","-P 2ya","13","","Bis(tetraethylammonium thiocyanate), 1,4-diiodotetrafluorobenzene","","- C48 H40 F20 I10 N4 S2 -","- C48 H40 F20 I10 N4 S2 -","- C192 H160 F80 I40 N16 S8 -","4","1","","Cauliez, Pascal; Polo, Victor; Roisnel, Thierry; Llusar, Rosa; Fourmigué, Marc","The thiocyanate anion as a polydentate halogen bond acceptor","CrystEngComm","2010","12","2","558","","10.1039/b913559f","","x-ray","0.71073","MoKα","","0.0763","0.0629","","","0.1496","0.1542","","","","","","1.216","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211718","10.0837","0.0007","22.4174","0.0014","12.9033","0.0008","90","","93.2206","0.0019","90","","2912.2","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","tetrabutylammonium thiocyanate, 1,4-diiodotetrafluorobenzene","","- C23 H36 F4 I2 N2 S -","- C23 H36 F4 I2 N2 S -","- C92 H144 F16 I8 N8 S4 -","4","1","","Cauliez, Pascal; Polo, Victor; Roisnel, Thierry; Llusar, Rosa; Fourmigué, Marc","The thiocyanate anion as a polydentate halogen bond acceptor","CrystEngComm","2010","12","2","558","","10.1039/b913559f","","x-ray","0.71073","MoKα","","0.0593","0.0317","","","0.0629","0.0738","","","","","","1.009","","","","has coordinates,has disorder","180448","2020-10-21","18:00:00",""
"7211719","8.051","0.0004","21.1985","0.0012","13.2534","0.0005","90","","100.872","0.002","90","","2221.35","0.19","100","2","100","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 F3 I3 N2 S -","- C15 H20 F3 I3 N2 S -","- C60 H80 F12 I12 N8 S4 -","4","1","","Cauliez, Pascal; Polo, Victor; Roisnel, Thierry; Llusar, Rosa; Fourmigué, Marc","The thiocyanate anion as a polydentate halogen bond acceptor","CrystEngComm","2010","12","2","558","","10.1039/b913559f","","x-ray","0.71073","MoKα","","0.0253","0.0203","","","0.0391","0.0407","","","","","","1.036","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211720","17.574","0.004","18.064","0.004","16.31","0.003","90","","97.42","0.03","90","","5134.4","1.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","sym-C6F3I3, (TBASCN)2","Bis(tetrabutylammonium thiocyanate), 1,3,5-triiodo-2,4,7-trifluorobenzene","","- C40 H72 F3 I3 N4 S2 -","- C40 H72 F3 I3 N4 S2 -","- C160 H288 F12 I12 N16 S8 -","4","1","","Cauliez, Pascal; Polo, Victor; Roisnel, Thierry; Llusar, Rosa; Fourmigué, Marc","The thiocyanate anion as a polydentate halogen bond acceptor","CrystEngComm","2010","12","2","558","","10.1039/b913559f","","x-ray","0.71073","MoKα","","0.0761","0.0457","","","0.1094","0.1374","","","","","","1.104","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211721","11.689","0.01","18.209","0.015","8.209","0.007","90","","110.557","0.002","90","","1636","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 Cd N4 O5 -","- C15 H12 Cd N4 O5 -","- C60 H48 Cd4 N16 O20 -","4","1","","Su, Zhi; Cai, Kai; Fan, Jian; Chen, Shui-Sheng; Chen, Man-Sheng; Sun, Wei-Yin","Cadmium(II) complexes with 3,5-di(1H-imidazol-1-yl)benzoate: topological and structural diversity tuned by counteranions","CrystEngComm","2010","12","1","100","","10.1039/b913639h","","","0.71073","MoKα","","0.0865","0.0454","","","0.0758","0.0841","","","","","","0.875","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211722","13.0295","0.0017","13.8924","0.0018","7.6163","0.001","90","","90","0.002","90","","1378.6","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H12 Cd N4 O4 -","- C13 H9 Cd N4 O4 -","- C52 H36 Cd4 N16 O16 -","4","0.5","","Su, Zhi; Cai, Kai; Fan, Jian; Chen, Shui-Sheng; Chen, Man-Sheng; Sun, Wei-Yin","Cadmium(II) complexes with 3,5-di(1H-imidazol-1-yl)benzoate: topological and structural diversity tuned by counteranions","CrystEngComm","2010","12","1","100","","10.1039/b913639h","","","0.71073","MoKα","","0.0275","0.0265","","","0.0686","0.0693","","","","","","1.12","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211723","10.7731","0.0015","12.8762","0.0018","13.8455","0.0019","99.387","0.001","111.108","0.002","106.958","0.003","1634.6","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H32 Cd2 N8 O15 S -","- C26 H18 Cd2 N8 O15 S -","- C52 H36 Cd4 N16 O30 S2 -","2","1","","Su, Zhi; Cai, Kai; Fan, Jian; Chen, Shui-Sheng; Chen, Man-Sheng; Sun, Wei-Yin","Cadmium(II) complexes with 3,5-di(1H-imidazol-1-yl)benzoate: topological and structural diversity tuned by counteranions","CrystEngComm","2010","12","1","100","","10.1039/b913639h","","","0.71073","MoKα","","0.0901","0.0546","","","0.0913","0.1024","","","","","","0.879","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211724","32.732","0.003","8.333","0.0008","17.4514","0.0015","90","","91.845","0.002","90","","4757.5","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H20 Cd N8 O5 -","- C26 H18 Cd N8 O5 -","- C208 H144 Cd8 N64 O40 -","8","1","","Su, Zhi; Cai, Kai; Fan, Jian; Chen, Shui-Sheng; Chen, Man-Sheng; Sun, Wei-Yin","Cadmium(II) complexes with 3,5-di(1H-imidazol-1-yl)benzoate: topological and structural diversity tuned by counteranions","CrystEngComm","2010","12","1","100","","10.1039/b913639h","","","0.71073","MoKα","","0.046","0.0417","","","0.1033","0.1061","","","","","","1.141","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211725","23.958","0.002","23.958","0.002","15.0646","0.0016","90","","90","","90","","8646.9","1.4","200","2","200","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C45.5 H36.83 N9.83 O1.83 Zn -","- C26.6667 H16 N5.33333 Zn0.666667 -","- C320 H192 N64 Zn8 -","12","1.5","","Seidel, Rüdiger W.; Goddard, Richard; Föcker, Kirsten; Oppel, Iris M.","Supramolecular isomerism of self-complementary zinc-5,10,15,20-tetra(4-pyridyl)porphyrin in the presence of dimethylformamide","CrystEngComm","2010","12","2","387","","10.1039/b913791b","","","1.54178","CuKα","","0.0827","0.0589","","","0.1525","0.164","","","","","","1.069","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211726","32.437","0.0012","14.9728","0.0004","27.7263","0.001","90","","114.155","0.004","90","","12286.9","0.8","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C47 H40.33 N10.33 O2.33 Zn -","- C47 H40.3333 N10.3333 O2.33333 Zn -","- C564 H484 N124 O28 Zn12 -","12","1.5","","Seidel, Rüdiger W.; Goddard, Richard; Föcker, Kirsten; Oppel, Iris M.","Supramolecular isomerism of self-complementary zinc-5,10,15,20-tetra(4-pyridyl)porphyrin in the presence of dimethylformamide","CrystEngComm","2010","12","2","387","","10.1039/b913791b","","","0.71073","MoKα","","0.0937","0.0437","","","0.0928","0.1007","","","","","","0.83","","","","has coordinates,has disorder","180448","2020-10-21","18:00:00",""
"7211727","12.7667","0.0016","17.478","0.002","20.151","0.003","112.292","0.002","95.972","0.002","98.064","0.002","4058.1","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H38 N10 O2 Zn -","- C46 H38 N10 O2 Zn -","- C184 H152 N40 O8 Zn4 -","4","2","","Seidel, Rüdiger W.; Goddard, Richard; Föcker, Kirsten; Oppel, Iris M.","Supramolecular isomerism of self-complementary zinc-5,10,15,20-tetra(4-pyridyl)porphyrin in the presence of dimethylformamide","CrystEngComm","2010","12","2","387","","10.1039/b913791b","","","0.71073","MoKα","","0.0488","0.0381","","","0.088","0.0923","","","","","","1.069","","","","has coordinates,has disorder","180448","2020-10-21","18:00:00",""
"7211728","14.1299","0.0003","15.0607","0.0002","18.9204","0.0003","95.725","0.001","108.508","0.002","102.781","0.002","3660.09","0.13","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H90 Gd N2 O30 P S4 -","- C64 H90 Gd N2 O30 P S4 -","- C128 H180 Gd2 N4 O60 P2 S8 -","2","1","","Ling, Irene; Alias, Yatimah; Sobolev, Alexandre N.; Raston, Colin L.","Calixarene C8-imidazolium interplay as a design strategy for penetrating organic bi-layers","CrystEngComm","2010","12","2","573","","10.1039/b913826a","","","0.71073","MoKα","","0.0468","0.0324","","","0.0771","0.0797","","","","","","1.006","","","","has coordinates,has disorder","180448","2020-10-21","18:00:00",""
"7211729","14.3621","0.0002","14.4461","0.0002","19.9814","0.0003","99.588","0.001","104.357","0.001","106.15","0.001","3732.08","0.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C65 H94 Gd N2 O32 P S4 -","- C65 H94 Gd N2 O32 P S4 -","- C130 H188 Gd2 N4 O64 P2 S8 -","2","1","","Ling, Irene; Alias, Yatimah; Sobolev, Alexandre N.; Raston, Colin L.","Calixarene C8-imidazolium interplay as a design strategy for penetrating organic bi-layers","CrystEngComm","2010","12","2","573","","10.1039/b913826a","","","0.71073","MoKα","","0.0896","0.0698","","","0.197","0.2089","","","","","","1.008","","","","has coordinates,has disorder","180448","2020-10-21","18:00:00",""
"7211730","10.383","0.004","10.589","0.004","13.43","0.005","97.769","0.004","91.815","0.004","92.824","0.004","1460.1","1","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H21 Co N3 O11 S -","- C31 H21 Co N3 O11 S -","- C62 H42 Co2 N6 O22 S2 -","2","1","","Fu, Feng; Li, Dong-Sheng; Wu, Ya-Pan; Gao, Xiao-Ming; Du*, Miao; Tang, Long; Zhang, Xiao-Ning; Meng, Cai-Xia","A versatile V-shaped tetracarboxylate building block for constructing mixed-ligand Co(ii) and Mn(ii) complexes incorporating various N-donor co-ligands","CrystEngComm","2010","12","4","1227","","10.1039/b913861g","","","0.71073","MoKα","","0.0952","0.0815","","","0.2411","0.2512","","","","","","1.138","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211731","7.7399","0.0009","14.1982","0.0017","18.887","0.002","92.863","0.002","100.801","0.002","93.957","0.002","2029.7","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H34 Co2 N4 O16 S -","- C40 H34 Co2 N4 O16 S -","- C80 H68 Co4 N8 O32 S2 -","2","1","","Fu, Feng; Li, Dong-Sheng; Wu, Ya-Pan; Gao, Xiao-Ming; Du*, Miao; Tang, Long; Zhang, Xiao-Ning; Meng, Cai-Xia","A versatile V-shaped tetracarboxylate building block for constructing mixed-ligand Co(ii) and Mn(ii) complexes incorporating various N-donor co-ligands","CrystEngComm","2010","12","4","1227","","10.1039/b913861g","","","0.71073","MoKα","","0.0878","0.0511","","","0.1097","0.1342","","","","","","1.039","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211732","7.3235","0.0006","23.2694","0.0018","23.6456","0.0018","90","","98.442","0.001","90","","3985.9","0.5","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H32 Mn2 N4 O15 S -","- C40 H32 Mn2 N4 O15 S -","- C160 H128 Mn8 N16 O60 S4 -","4","1","","Fu, Feng; Li, Dong-Sheng; Wu, Ya-Pan; Gao, Xiao-Ming; Du*, Miao; Tang, Long; Zhang, Xiao-Ning; Meng, Cai-Xia","A versatile V-shaped tetracarboxylate building block for constructing mixed-ligand Co(ii) and Mn(ii) complexes incorporating various N-donor co-ligands","CrystEngComm","2010","12","4","1227","","10.1039/b913861g","","","0.71073","MoKα","","0.0569","0.0395","","","0.1019","0.1129","","","","","","1.047","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211733","12.826","0.003","38.75","0.008","7.3476","0.0014","90","","94.165","0.002","90","","3642.2","1.3","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 Mn2 N4 O14 S -","- C36 H30 Mn2 N4 O14 S -","- C144 H120 Mn8 N16 O56 S4 -","4","1","","Fu, Feng; Li, Dong-Sheng; Wu, Ya-Pan; Gao, Xiao-Ming; Du*, Miao; Tang, Long; Zhang, Xiao-Ning; Meng, Cai-Xia","A versatile V-shaped tetracarboxylate building block for constructing mixed-ligand Co(ii) and Mn(ii) complexes incorporating various N-donor co-ligands","CrystEngComm","2010","12","4","1227","","10.1039/b913861g","","","0.71073","MoKα","","0.0527","0.0403","","","0.0995","0.1059","","","","","","1.091","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211734","17.581","0.002","27.365","0.003","8.8889","0.0011","90","","90","","90","","4276.5","0.9","291","2","291","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C40 H38 Mn2 N4 O16 S -","- C40 H38 Mn2 N4 O16 S -","- C160 H152 Mn8 N16 O64 S4 -","4","","","Fu, Feng; Li, Dong-Sheng; Wu, Ya-Pan; Gao, Xiao-Ming; Du*, Miao; Tang, Long; Zhang, Xiao-Ning; Meng, Cai-Xia","A versatile V-shaped tetracarboxylate building block for constructing mixed-ligand Co(ii) and Mn(ii) complexes incorporating various N-donor co-ligands","CrystEngComm","2010","12","4","1227","","10.1039/b913861g","","","0.71073","MoKα","","0.0609","0.0523","","","0.1435","0.1514","","","","","","1.029","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211735","7.4685","0.0012","18.677","0.003","21.713","0.003","90","","105.671","0.004","90","","2916.1","0.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H20 Cd2 N4 O10 S -","- C30 H20 Cd2 N4 O10 S -","- C120 H80 Cd8 N16 O40 S4 -","4","1","","Liu, Guang-Xiang; Zhu, Kun; Xu, Huan-Min; Nishihara, Sadafumi; Huang, Rong-Yi; Ren, Xiao-Ming","Five 3D metal‒organic frameworks constructed from V-shaped polycarboxylate acids and flexible imidazole-based ligands","CrystEngComm","2010","12","4","1175","","10.1039/b913942g","","","0.71073","MoKα","","0.0514","0.0353","","","0.0994","0.1134","","","","","","1.076","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211736","10.4927","0.0013","10.6448","0.0014","45.543","0.006","90","","90","","90","","5086.8","1.1","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C56 H42 N8 O10 S Zn2 -","- C56 H42 N8 O10 S Zn2 -","- C224 H168 N32 O40 S4 Zn8 -","4","1","","Liu, Guang-Xiang; Zhu, Kun; Xu, Huan-Min; Nishihara, Sadafumi; Huang, Rong-Yi; Ren, Xiao-Ming","Five 3D metal‒organic frameworks constructed from V-shaped polycarboxylate acids and flexible imidazole-based ligands","CrystEngComm","2010","12","4","1175","","10.1039/b913942g","","","0.71073","MoKα","","0.0449","0.0353","","","0.0733","0.0761","","","","","","1.004","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211737","13.8544","0.0013","14.6245","0.0013","17.9282","0.0017","90","","90","","90","","3632.5","0.6","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H38 Cd N6 O9 S -","- C35 H38 Cd N6 O9 S -","- C140 H152 Cd4 N24 O36 S4 -","4","1","","Liu, Guang-Xiang; Zhu, Kun; Xu, Huan-Min; Nishihara, Sadafumi; Huang, Rong-Yi; Ren, Xiao-Ming","Five 3D metal‒organic frameworks constructed from V-shaped polycarboxylate acids and flexible imidazole-based ligands","CrystEngComm","2010","12","4","1175","","10.1039/b913942g","","","0.71073","MoKα","","0.0535","0.0399","","","0.0869","0.1037","","","","","","1.033","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211738","6.039","0.003","29.302","0.015","17.045","0.008","90","","98.896","0.007","90","","2980","3","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C34 H26 Co N4 O6 S -","- C34 H26 Co N4 O6 S -","- C136 H104 Co4 N16 O24 S4 -","4","1","","Liu, Guang-Xiang; Zhu, Kun; Xu, Huan-Min; Nishihara, Sadafumi; Huang, Rong-Yi; Ren, Xiao-Ming","Five 3D metal‒organic frameworks constructed from V-shaped polycarboxylate acids and flexible imidazole-based ligands","CrystEngComm","2010","12","4","1175","","10.1039/b913942g","","","0.71073","MoKα","","0.0793","0.0511","","","0.0877","0.0983","","","","","","0.992","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211739","8.7329","0.0002","11.2712","0.0003","27.1832","0.0007","90","","90","","90","","2675.65","0.12","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H22 Co N4 O6 S -","- C28 H22 Co N4 O6 S -","- C112 H88 Co4 N16 O24 S4 -","4","1","","Liu, Guang-Xiang; Zhu, Kun; Xu, Huan-Min; Nishihara, Sadafumi; Huang, Rong-Yi; Ren, Xiao-Ming","Five 3D metal‒organic frameworks constructed from V-shaped polycarboxylate acids and flexible imidazole-based ligands","CrystEngComm","2010","12","4","1175","","10.1039/b913942g","","","0.71073","MoKα","","0.0553","0.0415","","","0.089","0.1031","","","","","","1.068","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211740","8.2591","0.0017","10.651","0.002","13.12","0.003","93.858","0.002","103.532","0.002","107.906","0.002","1055.6","0.4","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H34 N2 O38 Sm4 -","- C22 H34 N2 O38 Sm4 -","- C22 H34 N2 O38 Sm4 -","1","0.5","","Feng, Xun; Wang, Li-Ya; Zhao, Jian-She; Wang, Jian-Ge; Weng, Ng Seik; Liu, Bin; Shi, Xin-Ge","Series of anion-directed lanthanide-rigid-flexible frameworks: syntheses, structures, luminescence and magnetic properties","CrystEngComm","2010","12","3","774","","10.1039/b913977j","","","0.71073","MoKα","","0.0306","0.0253","","","0.0572","0.0601","","","","","","1.087","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211741","8.2119","0.001","10.5846","0.0013","13.0751","0.0016","94.001","0.001","103.302","0.001","107.72","0.001","1041.5","0.2","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H17 Gd2 N O19 -","- C11 H17 Gd2 N O19 -","- C22 H34 Gd4 N2 O38 -","2","1","","Feng, Xun; Wang, Li-Ya; Zhao, Jian-She; Wang, Jian-Ge; Weng, Ng Seik; Liu, Bin; Shi, Xin-Ge","Series of anion-directed lanthanide-rigid-flexible frameworks: syntheses, structures, luminescence and magnetic properties","CrystEngComm","2010","12","3","774","","10.1039/b913977j","","","0.71073","MoKα","","0.0269","0.0222","","","0.0475","0.0501","","","","","","1.028","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211742","8.8003","0.0008","14.0615","0.0013","11.8535","0.0011","90","","93.024","0.001","90","","1464.8","0.2","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H14 Gd N2 O9 -","- C9 H14 Gd N2 O9 -","- C36 H56 Gd4 N8 O36 -","4","1","","Feng, Xun; Wang, Li-Ya; Zhao, Jian-She; Wang, Jian-Ge; Weng, Ng Seik; Liu, Bin; Shi, Xin-Ge","Series of anion-directed lanthanide-rigid-flexible frameworks: syntheses, structures, luminescence and magnetic properties","CrystEngComm","2010","12","3","774","","10.1039/b913977j","","","0.71073","MoKα","","0.0209","0.0199","","","0.0536","0.0544","","","","","","1.08","","","","has coordinates,has disorder","180448","2020-10-21","18:00:00",""
"7211743","18.8558","0.0019","6.5831","0.0007","18.7543","0.0019","90","","90","","90","","2328","0.4","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C14 H20 Ce2 N2 O19 S -","- C14 H20 Ce2 N2 O19 S -","- C56 H80 Ce8 N8 O76 S4 -","4","1","","Feng, Xun; Wang, Li-Ya; Zhao, Jian-She; Wang, Jian-Ge; Weng, Ng Seik; Liu, Bin; Shi, Xin-Ge","Series of anion-directed lanthanide-rigid-flexible frameworks: syntheses, structures, luminescence and magnetic properties","CrystEngComm","2010","12","3","774","","10.1039/b913977j","","","0.71073","MoKα","","0.0267","0.0234","","","0.0502","0.052","","","","","","1.065","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211744","8.0708","0.0006","10.1838","0.0007","11.5445","0.0008","89.551","0.001","86.185","0.001","67.561","0.001","874.92","0.11","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H28 Cd Cl2 F4 N12 O12 -","- C26 H28 Cd Cl2 F4 N12 O12 -","- C26 H28 Cd Cl2 F4 N12 O12 -","1","0.5","","Ling, Yun; Zhang, Lei; Li, Jing; Fan, Shuan-Shi; Du, Miao","Thiocyanate-induced conformational transformation of a flexible fluconazole ligand in Cd(II) coordination polymers","CrystEngComm","2010","12","2","604","","10.1039/b914049b","","","0.71073","MoKα","","0.0323","0.0297","","","0.081","0.0825","","","","","","1.052","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211745","10.816","0.003","15.076","0.004","15.098","0.004","79.599","0.004","89.568","0.004","89.695","0.004","2421.4","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H37 Cd F6 N20 O9.5 -","- C39 H37 Cd F6 N20 O9.5 -","- C78 H74 Cd2 F12 N40 O19 -","2","1","","Ling, Yun; Zhang, Lei; Li, Jing; Fan, Shuan-Shi; Du, Miao","Thiocyanate-induced conformational transformation of a flexible fluconazole ligand in Cd(II) coordination polymers","CrystEngComm","2010","12","2","604","","10.1039/b914049b","","","0.71073","MoKα","","0.0423","0.0327","","","0.083","0.0862","","","","","","1.085","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211746","10.6019","0.0009","12.0311","0.0011","14.5296","0.0012","87.735","0.002","77.347","0.002","75.328","0.002","1749.1","0.3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C27 H24 Cd Cl F4 N13 O6 S -","- C27 H24 Cd Cl F4 N13 O6 S -","- C54 H48 Cd2 Cl2 F8 N26 O12 S2 -","2","1","","Ling, Yun; Zhang, Lei; Li, Jing; Fan, Shuan-Shi; Du, Miao","Thiocyanate-induced conformational transformation of a flexible fluconazole ligand in Cd(II) coordination polymers","CrystEngComm","2010","12","2","604","","10.1039/b914049b","","","0.71073","MoKα","","0.0867","0.0513","","","0.0943","0.114","","","","","","1.023","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211747","10.693","0.006","12.064","0.007","14.206","0.008","87.859","0.007","77.101","0.007","74.224","0.007","1718.5","1.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H24 Cd F4 N14 O5 S -","- C27 H24 Cd F4 N14 O5 S -","- C54 H48 Cd2 F8 N28 O10 S2 -","2","1","","Ling, Yun; Zhang, Lei; Li, Jing; Fan, Shuan-Shi; Du, Miao","Thiocyanate-induced conformational transformation of a flexible fluconazole ligand in Cd(II) coordination polymers","CrystEngComm","2010","12","2","604","","10.1039/b914049b","","","0.71073","MoKα","","0.0401","0.0314","","","0.0808","0.0849","","","","","","1.041","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211748","10.418","0.007","11.828","0.008","14.374","0.009","89.593","0.009","71.405","0.009","77.472","0.008","1635.1","1.9","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C27 H24 Cd Cl F4 N13 O2 S -","- C27 H24 Cd Cl F4 N13 O2 S -","- C54 H48 Cd2 Cl2 F8 N26 O4 S2 -","2","1","","Ling, Yun; Zhang, Lei; Li, Jing; Fan, Shuan-Shi; Du, Miao","Thiocyanate-induced conformational transformation of a flexible fluconazole ligand in Cd(II) coordination polymers","CrystEngComm","2010","12","2","604","","10.1039/b914049b","","","0.71073","MoKα","","0.0672","0.0502","","","0.132","0.1415","","","","","","0.996","","","","has coordinates,has disorder","180448","2020-10-21","18:00:00",""
"7211749","8.965","0.006","12.605","0.009","17.485","0.014","90","","114.149","0.014","90","","1803","2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 Cd F4 N14 O4 S2 -","- C28 H28 Cd F4 N14 O4 S2 -","- C56 H56 Cd2 F8 N28 O8 S4 -","2","0.5","","Ling, Yun; Zhang, Lei; Li, Jing; Fan, Shuan-Shi; Du, Miao","Thiocyanate-induced conformational transformation of a flexible fluconazole ligand in Cd(II) coordination polymers","CrystEngComm","2010","12","2","604","","10.1039/b914049b","","","0.71073","MoKα","","0.196","0.0889","","","0.17","0.2175","","","","","","0.956","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211750","14.502","0.004","18.01","0.005","22.474","0.006","90","","105.787","0.005","90","","5648","3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H32 F12 N4 O8 Zn2 -","- C58 H32 F12 N4 O8 Zn2 -","- C232 H128 F48 N16 O32 Zn8 -","4","1","","Gándara, Felipe; Medina, Manuela E.; Snejko, Natalia; Gutiérrez-Puebla, Enrique; Proserpio, Davide M.; Angeles Monge, M.","Ligand dependent topology changes in six zinc coordination polymers","CrystEngComm","2010","12","3","711","","10.1039/b914147b","","","0.71073","MoKα","","0.1353","0.0524","","","0.0935","0.1111","","","","","","1.005","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211751","14.0527","0.0008","14.4139","0.0008","14.9697","0.0008","90","","117.794","0.001","90","","2682.4","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H17 F6 N3 O4 Zn -","- C27 H17 F6 N3 O4 Zn -","- C108 H68 F24 N12 O16 Zn4 -","4","1","","Gándara, Felipe; Medina, Manuela E.; Snejko, Natalia; Gutiérrez-Puebla, Enrique; Proserpio, Davide M.; Angeles Monge, M.","Ligand dependent topology changes in six zinc coordination polymers","CrystEngComm","2010","12","3","711","","10.1039/b914147b","","","0.71073","MoKα","","0.112","0.0649","","","0.0999","0.1128","","","","","","1.083","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211752","12.468","0.002","17.796","0.003","13.267","0.003","90","","105.031","0.003","90","","2843","0.9","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H22 F6 N2 O4 Zn -","- C30 H22 F6 N2 O4 Zn -","- C120 H88 F24 N8 O16 Zn4 -","4","0.5","","Gándara, Felipe; Medina, Manuela E.; Snejko, Natalia; Gutiérrez-Puebla, Enrique; Proserpio, Davide M.; Angeles Monge, M.","Ligand dependent topology changes in six zinc coordination polymers","CrystEngComm","2010","12","3","711","","10.1039/b914147b","","","0.71073","MoKα","","0.1275","0.0808","","","0.1194","0.1326","","","","","","1.145","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211753","31.3355","0.0012","15.4292","0.0006","23.8481","0.0009","90","","91.552","0.001","90","","11525.9","0.8","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C58 H36 F12 N4 O8 Zn2 -","- C58 H36 F12 N4 O8 Zn2 -","- C464 H288 F96 N32 O64 Zn16 -","8","1","","Gándara, Felipe; Medina, Manuela E.; Snejko, Natalia; Gutiérrez-Puebla, Enrique; Proserpio, Davide M.; Angeles Monge, M.","Ligand dependent topology changes in six zinc coordination polymers","CrystEngComm","2010","12","3","711","","10.1039/b914147b","","","0.71073","MoKα","","0.199","0.1123","","","0.1081","0.1254","","","","","","1.192","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211754","23.7684","0.001","12.5542","0.0005","14.115","0.0006","90","","93.759","0.001","90","","4202.8","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H24 F12 N2 O8 Zn2 -","- C44 H24 F12 N2 O8 Zn2 -","- C176 H96 F48 N8 O32 Zn8 -","4","1","","Gándara, Felipe; Medina, Manuela E.; Snejko, Natalia; Gutiérrez-Puebla, Enrique; Proserpio, Davide M.; Angeles Monge, M.","Ligand dependent topology changes in six zinc coordination polymers","CrystEngComm","2010","12","3","711","","10.1039/b914147b","","","0.71073","MoKα","","0.1404","0.0801","","","0.1166","0.1318","","","","","","1.117","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211755","12.941","0.002","6.9994","0.0012","23.738","0.004","90","","118.131","0.003","90","","1896.2","0.5","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C17 H10 F6 O5 Zn -","- C17 H10 F6 O5 Zn -","- C68 H40 F24 O20 Zn4 -","4","1","","Gándara, Felipe; Medina, Manuela E.; Snejko, Natalia; Gutiérrez-Puebla, Enrique; Proserpio, Davide M.; Angeles Monge, M.","Ligand dependent topology changes in six zinc coordination polymers","CrystEngComm","2010","12","3","711","","10.1039/b914147b","","","0.71073","MoKα","","0.0722","0.0408","","","0.0909","0.0963","","","","","","0.971","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211756","13.0066","0.0008","21.6122","0.0013","17.6985","0.0011","90","","111.093","0.001","90","","4641.7","0.5","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Bis(triphenylphosphine-P)(N-diisopropoxythiophosphoryl-N`- tert-buthylthiocarbamido-S,S`)copper(i)","","","- C47 H54 Cu N2 O2 P3 S2 -","- C47 H54 Cu N2 O2 P3 S2 -","- C188 H216 Cu4 N8 O8 P12 S8 -","4","1","","Babashkina, Maria G.; Safin, Damir A.; Bolte, Michael; Klein, Axel","Copper(I) complexes with N-thiophosphorylated thioureas and phosphines with versatile structures and luminescence","CrystEngComm","2010","12","1","134","","10.1039/b914163d","","","0.71073","MoKα","","0.0453","0.032","","","0.0806","0.0885","","","","","","1.017","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211757","12.7328","0.0008","21.3708","0.0012","16.9009","0.001","90","","105.617","0.005","90","","4429.1","0.5","173","2","173","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C45 H50 Cu N2 O2 P3 S2 -","- C45 H50 Cu N2 O2 P3 S2 -","- C180 H200 Cu4 N8 O8 P12 S8 -","4","1","","Babashkina, Maria G.; Safin, Damir A.; Bolte, Michael; Klein, Axel","Copper(I) complexes with N-thiophosphorylated thioureas and phosphines with versatile structures and luminescence","CrystEngComm","2010","12","1","134","","10.1039/b914163d","","","0.71073","MoKα","","0.0324","0.0305","","","0.0786","0.0795","","","","","","1.041","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211758","12.8828","0.0015","21.032","0.002","17.227","0.002","90","","109.286","0.003","90","","4405.7","0.8","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H52 Cu N2 O2 P3 S2 -","- C46 H52 Cu N2 O2 P3 S2 -","- C184 H208 Cu4 N8 O8 P12 S8 -","4","1","","Babashkina, Maria G.; Safin, Damir A.; Bolte, Michael; Klein, Axel","Copper(I) complexes with N-thiophosphorylated thioureas and phosphines with versatile structures and luminescence","CrystEngComm","2010","12","1","134","","10.1039/b914163d","","","0.71073","MoKα","","0.0793","0.0558","","","0.1325","0.146","","","","","","1.022","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211759","10.7497","0.0007","12.5836","0.0008","16.4356","0.0011","83.842","0.005","83.922","0.005","78.782","0.005","2159.9","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H48 Cu N2 O2 P3 S2 -","- C44 H48 Cu N2 O2 P3 S2 -","- C88 H96 Cu2 N4 O4 P6 S4 -","2","1","","Babashkina, Maria G.; Safin, Damir A.; Bolte, Michael; Klein, Axel","Copper(I) complexes with N-thiophosphorylated thioureas and phosphines with versatile structures and luminescence","CrystEngComm","2010","12","1","134","","10.1039/b914163d","","","0.71073","MoKα","","0.0525","0.0392","","","0.0956","0.1003","","","","","","0.95","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211760","11.465","0.0005","14.3083","0.0007","17.0891","0.0008","109.818","0.004","90.221","0.004","112.994","0.004","2397.5","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H54 Cu N2 O2 P3 S2 -","- C51 H54 Cu N2 O2 P3 S2 -","- C102 H108 Cu2 N4 O4 P6 S4 -","2","1","","Babashkina, Maria G.; Safin, Damir A.; Bolte, Michael; Klein, Axel","Copper(I) complexes with N-thiophosphorylated thioureas and phosphines with versatile structures and luminescence","CrystEngComm","2010","12","1","134","","10.1039/b914163d","","","0.71073","MoKα","","0.0381","0.0305","","","0.0749","0.0773","","","","","","1.029","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211761","13.5587","0.0006","17.5724","0.0004","27.298","0.001","90","","98.651","0.003","90","","6430","0.4","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C66 H70 Cu2 I N2 O3 P5 S2 -","- C66 H70 Cu2 I N2 O3 P5 S2 -","- C264 H280 Cu8 I4 N8 O12 P20 S8 -","4","1","","Babashkina, Maria G.; Safin, Damir A.; Bolte, Michael; Klein, Axel","Copper(I) complexes with N-thiophosphorylated thioureas and phosphines with versatile structures and luminescence","CrystEngComm","2010","12","1","134","","10.1039/b914163d","","","0.71073","MoKα","","0.0424","0.0314","","","0.0747","0.0776","","","","","","0.941","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211762","10.7751","0.0005","11.7916","0.0005","16.6198","0.0008","76.507","0.004","83.057","0.004","71.394","0.004","1943.56","0.16","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H44 Cu N2 O2 P3 S2 -","- C39 H44 Cu N2 O2 P3 S2 -","- C78 H88 Cu2 N4 O4 P6 S4 -","2","1","","Babashkina, Maria G.; Safin, Damir A.; Bolte, Michael; Klein, Axel","Copper(I) complexes with N-thiophosphorylated thioureas and phosphines with versatile structures and luminescence","CrystEngComm","2010","12","1","134","","10.1039/b914163d","","","0.71073","MoKα","","0.0471","0.0374","","","0.0878","0.0917","","","","","","1.035","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211763","12.7625","0.0005","28.9176","0.0012","22.7401","0.0008","90","","96.515","0.003","90","","8338.3","0.6","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H50 Cu N2 O2 P3 S2 -","- C42 H50 Cu N2 O2 P3 S2 -","- C336 H400 Cu8 N16 O16 P24 S16 -","8","2","","Babashkina, Maria G.; Safin, Damir A.; Bolte, Michael; Klein, Axel","Copper(I) complexes with N-thiophosphorylated thioureas and phosphines with versatile structures and luminescence","CrystEngComm","2010","12","1","134","","10.1039/b914163d","","","0.71073","MoKα","","0.1259","0.0654","","","0.1027","0.1179","","","","","","1.044","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211764","10.3331","0.0003","30.3668","0.0006","11.9019","0.0003","90","","96.807","0.002","90","","3708.29","0.16","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H44 Cu N2 O2 P3 S2 -","- C35 H44 Cu N2 O2 P3 S2 -","- C140 H176 Cu4 N8 O8 P12 S8 -","4","1","","Babashkina, Maria G.; Safin, Damir A.; Bolte, Michael; Klein, Axel","Copper(I) complexes with N-thiophosphorylated thioureas and phosphines with versatile structures and luminescence","CrystEngComm","2010","12","1","134","","10.1039/b914163d","","","0.71073","MoKα","","0.0272","0.0257","","","0.0633","0.0642","","","","","","1.072","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211765","11.627","0.002","12.865","0.003","14.183","0.003","108.78","0.03","106.05","0.03","96.98","0.03","1877.9","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H44 Cl4 Er3 N12 O14.5 -","- C12 H44 Cl4 Er3 N12 O14.5 -","- C24 H88 Cl8 Er6 N24 O29 -","2","1","","Tong, Yu-Zhang; Wang, Qing-Lun; Yang, Guang; Yang, Guang-Ming; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Hydrolytic synthesis and structural characterization of five hexanuclear oxo-hydroxo lanthanide clusters","CrystEngComm","2010","12","2","543","","10.1039/b914208h","","","0.71073","MoKα","","0.0596","0.0505","","","0.1239","0.1292","","","","","","1.058","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211766","11.622","0.002","12.889","0.003","14.169","0.003","108.72","0.03","106.11","0.03","96.88","0.03","1879.7","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H30 Cl4 Ho3 N12 O14.5 -","- C12 H30 Cl4 Ho3 N12 O14.5 -","- C24 H60 Cl8 Ho6 N24 O29 -","2","1","","Tong, Yu-Zhang; Wang, Qing-Lun; Yang, Guang; Yang, Guang-Ming; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Hydrolytic synthesis and structural characterization of five hexanuclear oxo-hydroxo lanthanide clusters","CrystEngComm","2010","12","2","543","","10.1039/b914208h","","","0.71073","MoKα","","0.0633","0.0539","","","0.1343","0.1417","","","","","","1.052","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211767","11.613","0.002","12.916","0.003","14.153","0.003","108.55","0.03","106.14","0.03","96.85","0.03","1882.3","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H30 Cl4 Dy3 N12 O14.5 -","- C12 H30 Cl4 Dy3 N12 O14.5 -","- C24 H60 Cl8 Dy6 N24 O29 -","2","1","","Tong, Yu-Zhang; Wang, Qing-Lun; Yang, Guang; Yang, Guang-Ming; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Hydrolytic synthesis and structural characterization of five hexanuclear oxo-hydroxo lanthanide clusters","CrystEngComm","2010","12","2","543","","10.1039/b914208h","","","0.71073","MoKα","","0.0351","0.032","","","0.0797","0.0812","","","","","","1.078","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211768","19.543","0.009","24.565","0.005","13.837","0.003","90","","90","","90","","6643","4","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C8 H25 Cl4 Gd3 N8 O16 -","- C8 H25 Cl4 Gd3 N8 O16 -","- C64 H200 Cl32 Gd24 N64 O128 -","8","1","","Tong, Yu-Zhang; Wang, Qing-Lun; Yang, Guang; Yang, Guang-Ming; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Hydrolytic synthesis and structural characterization of five hexanuclear oxo-hydroxo lanthanide clusters","CrystEngComm","2010","12","2","543","","10.1039/b914208h","","","0.71073","MoKα","","0.0744","0.0553","","","0.1181","0.1271","","","","","","1.103","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211769","14.27","0.003","13.896","0.003","19.504","0.007","90","","120.6","0.02","90","","3329","1.7","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C8 H25 Cl4 N8 O16 Tb3 -","- C8 H25 Cl4 N8 O16 Tb3 -","- C32 H100 Cl16 N32 O64 Tb12 -","4","1","","Tong, Yu-Zhang; Wang, Qing-Lun; Yang, Guang; Yang, Guang-Ming; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Hydrolytic synthesis and structural characterization of five hexanuclear oxo-hydroxo lanthanide clusters","CrystEngComm","2010","12","2","543","","10.1039/b914208h","","","0.71073","MoKα","","0.0946","0.0544","","","0.1048","0.1173","","","","","","1.081","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211772","13.207","0.006","5.347","0.002","18.891","0.007","90","","116.37","0.02","90","","1195.2","0.9","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","10,11-Dihydro-5H-dibenzo(b,f)azepine-5-carboxamide","10,11-Dihydro-5H-dibenzo(b,f)azepine-5-carboxamide","","- C15 H14 N2 O -","- C15 H14 N2 O -","- C60 H56 N8 O4 -","4","1","","Arlin, Jean-Baptiste; Johnston, Andrea; Miller, Gary J.; Kennedy, Alan R.; Price, Sarah L.; Florence, Alastair J.","A predicted dimer-based polymorph of 10,11-dihydrocarbamazepine (Form IV)","CrystEngComm","2010","12","1","64","","10.1039/b914365c","","","0.71073","MoKα","","0.0806","0.0427","","","0.084","0.0983","","","","","","1.029","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211773","9.804","0.004","11.001","0.004","20.153","0.008","92.799","0.009","98.239","0.009","109.087","0.008","2022.2","1.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H42 Cr N2 O13 P -","- C40 H32 Cr N2 O13 P -","- C80 H64 Cr2 N4 O26 P2 -","2","1","","Viciano-Chumillas, Marta; Marino, Nadia; Sorribes, Iván; Vicent, Cristian; Lloret, Francesc; Julve, Miguel","[Cr(dmbipy)(ox)2]−: a new bis-oxalato building block for metal assembling. Crystal structures and magnetic properties of XPh4[Cr(dmbipy)(ox)2]·5H2O (X = P and As), {Ba(H2O)2[Cr(dmbipy)(ox)2]2}n·17/2nH2O and {Ag(H2O)[Cr(dmbipy)(ox)2]}n·3nH2O","CrystEngComm","2010","12","1","122","","10.1039/b914419f","","","0.71073","MoKα","","0.1289","0.0619","","","0.1596","0.1996","","","","","","1.014","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211774","9.7453","0.0008","10.9615","0.0009","20.0602","0.0017","93.031","0.002","99.433","0.002","108.355","0.002","1993.8","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H42 As Cr N2 O13 -","- C40 H42 As Cr N2 O13 -","- C80 H84 As2 Cr2 N4 O26 -","2","1","","Viciano-Chumillas, Marta; Marino, Nadia; Sorribes, Iván; Vicent, Cristian; Lloret, Francesc; Julve, Miguel","[Cr(dmbipy)(ox)2]−: a new bis-oxalato building block for metal assembling. Crystal structures and magnetic properties of XPh4[Cr(dmbipy)(ox)2]·5H2O (X = P and As), {Ba(H2O)2[Cr(dmbipy)(ox)2]2}n·17/2nH2O and {Ag(H2O)[Cr(dmbipy)(ox)2]}n·3nH2O","CrystEngComm","2010","12","1","122","","10.1039/b914419f","","","0.71073","MoKα","","0.0298","0.0263","","","0.0711","0.0735","","","","","","1.056","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211775","19.493","0.008","9.687","0.004","24.2","0.009","90","","98.736","0.01","90","","4517","3","213","2","213","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C64 H90 Ba2 Cr4 N8 O53 -","- C64 H48 Ba2 Cr4 N8 O53 -","- C128 H96 Ba4 Cr8 N16 O106 -","2","0.5","","Viciano-Chumillas, Marta; Marino, Nadia; Sorribes, Iván; Vicent, Cristian; Lloret, Francesc; Julve, Miguel","[Cr(dmbipy)(ox)2]−: a new bis-oxalato building block for metal assembling. Crystal structures and magnetic properties of XPh4[Cr(dmbipy)(ox)2]·5H2O (X = P and As), {Ba(H2O)2[Cr(dmbipy)(ox)2]2}n·17/2nH2O and {Ag(H2O)[Cr(dmbipy)(ox)2]}n·3nH2O","CrystEngComm","2010","12","1","122","","10.1039/b914419f","","","0.71073","MoKα","","0.1149","0.0553","","","0.1241","0.1483","","","","","","1.053","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211776","10.106","0.004","12.278","0.005","17.285","0.007","90","","92.851","0.009","90","","2142.1","1.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 Ag Cr N2 O12 -","- C16 H12 Ag Cr N2 O12 -","- C64 H48 Ag4 Cr4 N8 O48 -","4","1","","Viciano-Chumillas, Marta; Marino, Nadia; Sorribes, Iván; Vicent, Cristian; Lloret, Francesc; Julve, Miguel","[Cr(dmbipy)(ox)2]−: a new bis-oxalato building block for metal assembling. Crystal structures and magnetic properties of XPh4[Cr(dmbipy)(ox)2]·5H2O (X = P and As), {Ba(H2O)2[Cr(dmbipy)(ox)2]2}n·17/2nH2O and {Ag(H2O)[Cr(dmbipy)(ox)2]}n·3nH2O","CrystEngComm","2010","12","1","122","","10.1039/b914419f","","","0.71073","MoKα","","0.1417","0.0681","","","0.179","0.2153","","","","","","1.045","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211777","13.806","0.002","13.806","0.002","23.27","0.005","90","","90","","120","","3841.2","1.1","150","2","150","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","(Ni7(OH)6(L1)6)(NO3)2","","","- C54 H66 N8 Ni7 O24 -","- C54 H66 N8 Ni7 O24 -","- C108 H132 N16 Ni14 O48 -","2","0.166667","","Meally, Seán T.; Karotsis, Georgios; Brechin, Euan K.; Papaefstathiou, Giannis S.; Dunne, Peter W.; McArdle, Patrick; Jones, Leigh F.","Planar [Ni7] discs as double-bowl, pseudo metallacalix[6]arene host cavities","CrystEngComm","2010","12","1","59","","10.1039/b914538a","","","0.7107","MoKα","","0.1209","0.0802","","","0.2446","0.2662","","","","","","1.091","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211778","13.933","0.002","13.933","0.002","22.742","0.005","90","","90","","120","","3823.4","1.1","150","2","150","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","(Ni7(OH)6(L1)6)(NO3)2.3MeNO2","","","- C57 H75 N11 Ni7 O24 -","- C57 H60 N11 Ni7 O30 -","- C114 H120 N22 Ni14 O60 -","2","0.166667","","Meally, Seán T.; Karotsis, Georgios; Brechin, Euan K.; Papaefstathiou, Giannis S.; Dunne, Peter W.; McArdle, Patrick; Jones, Leigh F.","Planar [Ni7] discs as double-bowl, pseudo metallacalix[6]arene host cavities","CrystEngComm","2010","12","1","59","","10.1039/b914538a","","","0.7107","MoKα","","0.064","0.0502","","","0.1676","0.1725","","","","","","1.191","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211779","28.8575","0.0014","11.1352","0.0003","27.4079","0.0013","90","","109.603","0.006","90","","8296.6","0.7","373","2","373","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","(Ni7(OH)6(L2)6)(NO3)2.2MeCN","","","- C58 H66 Br6 N10 Ni7 O24 -","- C58 H66 Br6 N10 Ni7 O24 -","- C232 H264 Br24 N40 Ni28 O96 -","4","0.5","","Meally, Seán T.; Karotsis, Georgios; Brechin, Euan K.; Papaefstathiou, Giannis S.; Dunne, Peter W.; McArdle, Patrick; Jones, Leigh F.","Planar [Ni7] discs as double-bowl, pseudo metallacalix[6]arene host cavities","CrystEngComm","2010","12","1","59","","10.1039/b914538a","","","0.7107","MoKα","","0.109","0.0511","","","0.1217","0.1325","","","","","","0.852","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211780","23.033","0.003","14.036","0.002","27.135","0.004","90","","98.508","0.003","90","","8676","2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","EH-01-64-02 (ethylpropion-3-yl) nitro- spiropyran","","- C24 H26 N2 O5 -","- C24 H26 N2 O5 -","- C384 H416 N32 O80 -","16","4","","Aakeröy, Christer B.; Hurley, Evan P.; Desper, John; Natali, Manuel; Douglawi, Antoin; Giordani, Silvia","The balance between closed and open forms of spiropyrans in the solid state","CrystEngComm","2010","12","4","1027","","10.1039/b914566d","","","0.71073","MoKα","","0.2143","0.0849","","","0.1995","0.2481","","","","","","1.097","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211781","15.1881","0.0013","12.6063","0.001","12.1356","0.001","90","","103.863","0.003","90","","2255.9","0.3","120","2","120","2","","","","","","","","4","C 1 c 1","C -2yc","9","","EH-01-65-10 (ethylpropion-3-yl) methoxy nitro- spiropyran","","- C25 H28 N2 O6 -","- C25 H28 N2 O6 -","- C100 H112 N8 O24 -","4","1","","Aakeröy, Christer B.; Hurley, Evan P.; Desper, John; Natali, Manuel; Douglawi, Antoin; Giordani, Silvia","The balance between closed and open forms of spiropyrans in the solid state","CrystEngComm","2010","12","4","1027","","10.1039/b914566d","","","0.71073","MoKα","","0.0474","0.0406","","","0.1022","0.1082","","","","","","1.017","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211782","6.7336","0.0003","30.1846","0.0012","9.5144","0.0004","90","","96.314","0.002","90","","1922.08","0.14","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","EH-01-64-04 nitro- methoxy- hydroxyethyl spiropyran","","- C21 H22 N2 O5 -","- C21 H22 N2 O5 -","- C84 H88 N8 O20 -","4","1","","Aakeröy, Christer B.; Hurley, Evan P.; Desper, John; Natali, Manuel; Douglawi, Antoin; Giordani, Silvia","The balance between closed and open forms of spiropyrans in the solid state","CrystEngComm","2010","12","4","1027","","10.1039/b914566d","","","0.71073","MoKα","","0.0498","0.0408","","","0.1139","0.1205","","","","","","1.037","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211783","17.1458","0.0009","9.6805","0.0005","15.0694","0.0008","90","","90","","90","","2501.2","0.2","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C18 H18 I3 N3 O8 Pb -","- C18 H18 I3 N3 O8 Pb -","- C72 H72 I12 N12 O32 Pb4 -","4","1","","Zhang, Kou-Lin; Chang, Yan; Hou, Chuan-Tao; Diao, Guo-Wang; Wu, Rentao; Ng, Seik Weng","Effect of N-donor auxiliary ligands on the engineering of crystalline architectures of a series of lead(ii) complexes with 5-amino-2,4,6-triiodoisophthalic acid","CrystEngComm","2010","12","4","1194","","10.1039/b914623g","","","0.71073","MoKα","","0.0327","0.0309","","","0.0724","0.0735","","","","","","1.028","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211784","9.3959","0.0009","9.3959","0.0009","12.2406","0.0012","90","","90","","120","","935.86","0.16","293","2","293","2","","","","","","","","6","P 31","P 31","144","","","","- C8 H2 I3 N O4 Pb -","- C8 H2 I3 N O4 Pb -","- C24 H6 I9 N3 O12 Pb3 -","3","1","","Zhang, Kou-Lin; Chang, Yan; Hou, Chuan-Tao; Diao, Guo-Wang; Wu, Rentao; Ng, Seik Weng","Effect of N-donor auxiliary ligands on the engineering of crystalline architectures of a series of lead(ii) complexes with 5-amino-2,4,6-triiodoisophthalic acid","CrystEngComm","2010","12","4","1194","","10.1039/b914623g","","","0.71073","MoKα","","0.034","0.0291","","","0.0527","0.0541","","","","","","1.026","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211785","28.218","0.002","28.218","0.002","17.741","0.001","90","","90","","120","","12233.8","1.4","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C14 H10 I3 N5 O5 Pb -","- C14 H10 I3 N5 O5 Pb -","- C252 H180 I54 N90 O90 Pb18 -","18","1","","Zhang, Kou-Lin; Chang, Yan; Hou, Chuan-Tao; Diao, Guo-Wang; Wu, Rentao; Ng, Seik Weng","Effect of N-donor auxiliary ligands on the engineering of crystalline architectures of a series of lead(ii) complexes with 5-amino-2,4,6-triiodoisophthalic acid","CrystEngComm","2010","12","4","1194","","10.1039/b914623g","","","0.71073","MoKα","","0.0865","0.048","","","0.1375","0.1574","","","","","","1.079","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211786","9.3044","0.0009","15.8623","0.0015","18.9924","0.0018","90","","90","","90","","2803.1","0.5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H6 I3 N O5 -","- C8 H6 I3 N O5 -","- C64 H48 I24 N8 O40 -","8","1","","Zhang, Kou-Lin; Chang, Yan; Hou, Chuan-Tao; Diao, Guo-Wang; Wu, Rentao; Ng, Seik Weng","Effect of N-donor auxiliary ligands on the engineering of crystalline architectures of a series of lead(ii) complexes with 5-amino-2,4,6-triiodoisophthalic acid","CrystEngComm","2010","12","4","1194","","10.1039/b914623g","","","0.71073","MoKα","","0.0366","0.0328","","","0.0739","0.0755","","","","","","1.129","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211787","5.181","0.002","12.677","0.007","19.161","0.01","90","","92.237","0.013","90","","1257.5","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Ba2 Li3 O32 W8 Y3 -","- Ba2 Li3 O32 W8 Y3 -","- Ba4 Li6 O64 W16 Y6 -","2","0.25","","Li, Hao; Wang, Guojian; Zhang, Lizhen; Huang, Yisheng; Wang, Guofu","Growth and structure of Nd3±doped Li3Ba2Y3(WO4)8 crystal with a disorder structure","CrystEngComm","2010","12","4","1307","","10.1039/b914641e","","","0.71073","MoKα","","0.0523","0.0462","","","0.0978","0.101","","","","","","1.056","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211788","19.892","0.004","16.078","0.003","28.362","0.006","90","","90","","90","","9071","3","293","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C60 H75 Co2 Mo8 N10 O48 P V6 -","- C60 H32 Co2 Mo8 N10 O48 P V6 -","- C240 H128 Co8 Mo32 N40 O192 P4 V24 -","4","0.5","","Shi, Shu-Yun; Zou, Yong-Cun; Cui, Xiao-Bing; Xu, Jia-Ning; Wang, Yan; Wang, Guo-Wu; Yang, Guang-Di; Xu, Ji-Qing; Wang, Tie-Gang; Gao, Zhong-Min","0D and 1D dimensional structures based on the combination of polyoxometalates, transition metal coordination complexes and organic amines","CrystEngComm","2010","12","7","2122","","10.1039/b914655e","","","0.71073","MoKα","","0.0865","0.0576","","","0.1466","0.169","","","","","","1.072","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211789","19.809","0.004","16.058","0.003","28.211","0.006","90","","90","","90","","8974","3","293","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C60 H75 Mo8 N10 Ni2 O48 P V6 -","- C60 H32 Mo8 N10 Ni2 O48 P V6 -","- C240 H128 Mo32 N40 Ni8 O192 P4 V24 -","4","0.5","","Shi, Shu-Yun; Zou, Yong-Cun; Cui, Xiao-Bing; Xu, Jia-Ning; Wang, Yan; Wang, Guo-Wu; Yang, Guang-Di; Xu, Ji-Qing; Wang, Tie-Gang; Gao, Zhong-Min","0D and 1D dimensional structures based on the combination of polyoxometalates, transition metal coordination complexes and organic amines","CrystEngComm","2010","12","7","2122","","10.1039/b914655e","","","0.71073","MoKα","","0.0725","0.0521","","","0.1349","0.1501","","","","","","1.061","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211790","13.537","0.003","13.544","0.003","13.894","0.003","116.77","0.03","96.74","0.03","93.5","0.03","2239.9","1.1","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C58 H49 Mo8 N10 O46 P V6 Zn2 -","- C58 H32 Mo8 N10 O46 P V6 Zn2 -","- C58 H32 Mo8 N10 O46 P V6 Zn2 -","1","0.5","","Shi, Shu-Yun; Zou, Yong-Cun; Cui, Xiao-Bing; Xu, Jia-Ning; Wang, Yan; Wang, Guo-Wu; Yang, Guang-Di; Xu, Ji-Qing; Wang, Tie-Gang; Gao, Zhong-Min","0D and 1D dimensional structures based on the combination of polyoxometalates, transition metal coordination complexes and organic amines","CrystEngComm","2010","12","7","2122","","10.1039/b914655e","","","0.71073","MoKα","","0.1218","0.067","","","0.2083","0.2416","","","","","","1.082","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211791","24.189","0.005","12.933","0.003","25.434","0.005","90","","117","0.03","90","","7089","3","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C29 H33 Co Mo8 N5 O46 P V6 -","- C29 H16 Co Mo8 N5 O46 P V6 -","- C116 H64 Co4 Mo32 N20 O184 P4 V24 -","4","0.5","","Shi, Shu-Yun; Zou, Yong-Cun; Cui, Xiao-Bing; Xu, Jia-Ning; Wang, Yan; Wang, Guo-Wu; Yang, Guang-Di; Xu, Ji-Qing; Wang, Tie-Gang; Gao, Zhong-Min","0D and 1D dimensional structures based on the combination of polyoxometalates, transition metal coordination complexes and organic amines","CrystEngComm","2010","12","7","2122","","10.1039/b914655e","","","0.71073","MoKα","","0.0715","0.0607","","","0.1925","0.2036","","","","","","1.087","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211792","23.891","0.005","12.987","0.003","25.694","0.005","90","","116.07","0.03","90","","7161","3","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C30 H38 Co Mo8 N8 O47 P V6 -","- C30 H16 Co Mo8 N8 O47 P V6 -","- C120 H64 Co4 Mo32 N32 O188 P4 V24 -","4","0.5","","Shi, Shu-Yun; Zou, Yong-Cun; Cui, Xiao-Bing; Xu, Jia-Ning; Wang, Yan; Wang, Guo-Wu; Yang, Guang-Di; Xu, Ji-Qing; Wang, Tie-Gang; Gao, Zhong-Min","0D and 1D dimensional structures based on the combination of polyoxometalates, transition metal coordination complexes and organic amines","CrystEngComm","2010","12","7","2122","","10.1039/b914655e","","","0.71073","MoKα","","0.0646","0.0543","","","0.1713","0.1802","","","","","","1.088","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211793","20.258","0.003","4.7728","0.0006","21.145","0.003","90","","90","","90","","2044.5","0.5","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C18 H21 Cu N3 O9 -","- C18 H21 Cu N3 O9 -","- C72 H84 Cu4 N12 O36 -","4","1","","Farnum, Gregory A.; Nettleman, Joseph H.; LaDuca, Robert L.","Structure and physical properties of substituted malonate divalent metal coordination polymers with dipyridylamine co-ligands: acentric chain, herringbone layer, and novel binodal network topologies","CrystEngComm","2010","12","3","888","","10.1039/b914746b","","","0.71073","MoKα","","0.043","0.0339","","","0.083","0.087","","","","","","1.058","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211794","29.09","0.004","9.1837","0.0011","21.114","0.003","90","","127.764","0.001","90","","4459.2","1","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H43 Cl2 Cu3 N9 O18 -","- C40 H39 Cl2 Cu3 N9 O18 -","- C160 H156 Cl8 Cu12 N36 O72 -","4","0.5","","Farnum, Gregory A.; Nettleman, Joseph H.; LaDuca, Robert L.","Structure and physical properties of substituted malonate divalent metal coordination polymers with dipyridylamine co-ligands: acentric chain, herringbone layer, and novel binodal network topologies","CrystEngComm","2010","12","3","888","","10.1039/b914746b","","","0.71073","MoKα","","0.0531","0.0396","","","0.0961","0.1025","","","","","","1.087","","","","has coordinates,has disorder","180448","2020-10-21","18:00:00",""
"7211795","23.5744","0.0003","23.5744","0.0003","15.0025","0.0003","90","","90","","90","","8337.7","0.2","110","2","110","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C40 H24 N8 Zn -","- C40 H24 N8 Zn -","- C320 H192 N64 Zn8 -","8","1","","Lipstman, Sophia; Goldberg, Israel","New cyclic tetrameric and square-grid polymeric modes of supramolecular self-assembly of zinc tetra(4-pyridyl)porphyrin","CrystEngComm","2010","12","1","52","","10.1039/b914799c","","","0.71073","MoKα","","0.1322","0.0657","","","0.1693","0.1866","","","","","","0.903","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211796","20.8956","0.0007","13.6507","0.0005","14.6756","0.0007","90","","106.202","0.0013","90","","4019.8","0.3","110","2","110","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H24 N8 Zn -","- C40 H24 N8 Zn -","- C160 H96 N32 Zn4 -","4","0.5","","Lipstman, Sophia; Goldberg, Israel","New cyclic tetrameric and square-grid polymeric modes of supramolecular self-assembly of zinc tetra(4-pyridyl)porphyrin","CrystEngComm","2010","12","1","52","","10.1039/b914799c","","","0.71073","MoKα","","0.1269","0.0749","","","0.1935","0.2076","","","","","","1.043","","","","has coordinates,has disorder","180448","2020-10-21","18:00:00",""
"7211797","18.21","0.004","7.692","0.002","4.6608","0.0007","90","","90","","90","","652.8","0.2","185","2","185","2","","","","","","","","4","P c a 21","P 2c -2ac","29","Methanol chloroform clathrate (1:1)","Methanol chloroform clathrate (1:1)","","- C2 H5 Cl3 O -","- C2 H5 Cl3 O -","- C8 H20 Cl12 O4 -","4","1","","Yufit, D. S.; Howard, J. A. K.","Low-melting molecular complexes of chloroform","CrystEngComm","2010","12","3","737","","10.1039/b914851e","","","0.71073","Mo-Kα","","0.066","0.0461","","","0.1173","0.1309","","","","","","1.025","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211798","9.9104","0.0013","9.6599","0.0014","10.1505","0.0015","90","","106.05","0.02","90","","933.9","0.2","178","1","178","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","cyclopentanone chloroform clathrate (1:1)","cyclopentanone chloroform clathrate (1:1)","","- C6 H9 Cl3 O -","- C6 H9 Cl3 O -","- C24 H36 Cl12 O4 -","4","1","","Yufit, D. S.; Howard, J. A. K.","Low-melting molecular complexes of chloroform","CrystEngComm","2010","12","3","737","","10.1039/b914851e","","x-ray","0.71073","MoKα","K-L~3~","0.0458","0.0352","","","0.0925","0.0994","","","","","","1.032","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211799","6.044","0.0012","9.0987","0.0018","9.5963","0.0019","98.82","0.03","100.43","0.03","97.22","0.03","506.44","0.19","180","2","180","2","","","","","","","","4","P -1","-P 1","2","cyclohexanone chloroform clathrate (1:1)","cyclohexanone chloroform clathrate (1:1)","","- C7 H11 Cl3 O -","- C7 H11 Cl3 O -","- C14 H22 Cl6 O2 -","2","1","","Yufit, D. S.; Howard, J. A. K.","Low-melting molecular complexes of chloroform","CrystEngComm","2010","12","3","737","","10.1039/b914851e","","","0.71073","Mo-Kα","","0.0346","0.03","","","0.0778","0.0816","","","","","","1.066","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211800","8.284","0.0007","8.67","0.0009","12.829","0.0015","90","","107.1","0.03","90","","880.7","0.2","185","2","185","2","","","","","","","","5","C 1 c 1","C -2yc","9","dimethylformamide chloroform clathrate (1:1)","dimethylformamide chloroform clathrate (1:1)","","- C4 H8 Cl3 N O -","- C4 H8 Cl3 N O -","- C16 H32 Cl12 N4 O4 -","4","1","","Yufit, D. S.; Howard, J. A. K.","Low-melting molecular complexes of chloroform","CrystEngComm","2010","12","3","737","","10.1039/b914851e","","","0.71073","Mo-Kα","","0.0537","0.0498","","","0.1326","0.1356","","","","","","1.079","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211801","7.1434","0.0009","10.4147","0.0015","13.2477","0.0018","90","","90","","90","","985.6","0.2","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","diethylamine chloroform clathrate (1:1)","diethylamine chloroform clathrate (1:1)","","- C5 H12 Cl3 N -","- C5 H12 Cl3 N -","- C20 H48 Cl12 N4 -","4","1","","Yufit, D. S.; Howard, J. A. K.","Low-melting molecular complexes of chloroform","CrystEngComm","2010","12","3","737","","10.1039/b914851e","","x-ray","0.71073","MoKα","K-L~3~","0.0422","0.0365","","","0.0933","0.0991","","","","","","1.016","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211802","7.4422","0.0006","9.4578","0.0007","5.8025","0.0004","90","","90","","90","","408.42","0.05","120","2","120","2","","","","","","","","3","P n m a","-P 2ac 2n","62","trichloromethane","trichloromethane","","- C H Cl3 -","- C H Cl3 -","- C4 H4 Cl12 -","4","0.5","","Yufit, D. S.; Howard, J. A. K.","Low-melting molecular complexes of chloroform","CrystEngComm","2010","12","3","737","","10.1039/b914851e","","x-ray","0.71073","MoKα","K-L~3~","0.0188","0.0172","","","0.0483","0.0494","","","","","","1.043","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211803","19.71","0.009","3.7857","0.0016","11.663","0.005","90","","103.23","0.002","90","","847.2","0.6","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C6 H4 Br Cu2 N5 -","- C6 H4 Br Cu2 N5 -","- C24 H16 Br4 Cu8 N20 -","4","1","","Wang, Fei; Zhang, Jian; Yu, Rongmin; Chen, Shu-Mei; Wu, Xiao-Yuan; Chen, Shan-Ci; Xie, Yi-Ming; Zhou, Wei-Wei; Lu, Can-Zhong","Topological derivation from centrosymmetry to noncentrosymmetry in a three-dimensional polar framework material","CrystEngComm","2010","12","3","671","","10.1039/b915001c","","","0.71073","MoKα","","0.0287","0.0264","","","0.0683","0.0692","","","","","","1.089","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211804","8.7366","0.001","14.4942","0.0016","16.4072","0.0018","104.605","0.002","94.579","0.002","101.574","0.002","1950.9","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","2,4,6-trimethylbenzene-1,3,5-tricarboxylic acid, 4,4'- bipyridine","2,4,6-trimethylbenzene-1,3,5-tricarboxylic acid, 4,4'-bipyridine","","- C44 H40 N4 O12 -","- C44 H40 N4 O12 -","- C88 H80 N8 O24 -","2","1","","Saha, Binoy K.; Bhattacharya, Suman","Hydrogen-bond networks in the binary complexes of trigonal molecules with 4,4′-bipyridine","CrystEngComm","2010","12","8","2369","","10.1039/b915005f","","","0.71073","MoKα","","0.0848","0.0594","","","0.1516","0.168","","","","","","1.013","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211805","9.534","0.002","10.294","0.003","15.627","0.005","74.53","0.005","81.411","0.005","64.073","0.004","1328.4","0.6","298","2","298","2","","","","","","","","4","P -1","-P 1","2","2,4,6-tris(4-hydroxyphenoxy)-1,3,5-triazine, 4,4'-bipyridine","2,4,6-tris(4-hydroxyphenoxy)-1,3,5-triazine, 4,4'-bipyridine","","- C31 H23 N5 O6 -","- C31 H23 N5 O6 -","- C62 H46 N10 O12 -","2","1","","Saha, Binoy K.; Bhattacharya, Suman","Hydrogen-bond networks in the binary complexes of trigonal molecules with 4,4′-bipyridine","CrystEngComm","2010","12","8","2369","","10.1039/b915005f","","","0.71073","MoKα","","0.0923","0.0529","","","0.1186","0.1362","","","","","","0.999","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211806","16.2107","0.0004","14.9781","0.0004","7.9573","0.0002","90","","92.069","0.001","90","","1930.82","0.09","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 Ag Cl N2 O11 Tb -","- C14 H13 Ag Cl N2 O11 Tb -","- C56 H52 Ag4 Cl4 N8 O44 Tb4 -","4","1","","Qiu, Yongcai; Liu, Zhihui; Mou, Jixia; Deng, Hong; Zeller, Matthias","Rationally designed and controlled syntheses of different series of 4d‒4f heterometallic coordination frameworks based on lanthanide carboxylate and Ag(IN)2 substructures","CrystEngComm","2010","12","1","277","","10.1039/b915025k","","","0.71073","MoKα","","0.0215","0.0189","","","0.0475","0.049","","","","","","1.012","","","","has coordinates,has disorder","180449","2020-10-21","18:00:00",""
"7211807","16.2107","0.0004","14.9781","0.0004","7.9573","0.0002","90","","92.069","0.001","90","","1930.82","0.09","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 Ag Cl Ho N2 O11 -","- C14 H13 Ag Cl Ho N2 O11 -","- C56 H52 Ag4 Cl4 Ho4 N8 O44 -","4","1","","Qiu, Yongcai; Liu, Zhihui; Mou, Jixia; Deng, Hong; Zeller, Matthias","Rationally designed and controlled syntheses of different series of 4d‒4f heterometallic coordination frameworks based on lanthanide carboxylate and Ag(IN)2 substructures","CrystEngComm","2010","12","1","277","","10.1039/b915025k","","","0.71073","MoKα","","0.0313","0.0235","","","0.049","0.0521","","","","","","1.011","","","","has coordinates,has disorder","180449","2020-10-21","18:00:00",""
"7211808","8.3112","0.0004","9.9605","0.0004","16.4964","0.0007","90.699","0.002","103.392","0.002","110.548","0.002","1237.41","0.1","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H30 Ag4 Cl2 N6 O27 Tb2 -","- C38 H30 Ag4 Cl2 N6 O27 Tb2 -","- C38 H30 Ag4 Cl2 N6 O27 Tb2 -","1","0.5","","Qiu, Yongcai; Liu, Zhihui; Mou, Jixia; Deng, Hong; Zeller, Matthias","Rationally designed and controlled syntheses of different series of 4d‒4f heterometallic coordination frameworks based on lanthanide carboxylate and Ag(IN)2 substructures","CrystEngComm","2010","12","1","277","","10.1039/b915025k","","","0.71073","MoKα","","0.0652","0.0631","","","0.188","0.1889","","","","","","1.163","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211809","21.728","0.002","9.3675","0.001","17.4117","0.0018","90","","109.202","0.002","90","","3346.8","0.6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H10 Ag Ce N2 O9 -","- C14 H10 Ag Ce N2 O9 -","- C112 H80 Ag8 Ce8 N16 O72 -","8","1","","Qiu, Yongcai; Liu, Zhihui; Mou, Jixia; Deng, Hong; Zeller, Matthias","Rationally designed and controlled syntheses of different series of 4d‒4f heterometallic coordination frameworks based on lanthanide carboxylate and Ag(IN)2 substructures","CrystEngComm","2010","12","1","277","","10.1039/b915025k","","","0.71073","MoKα","","0.0685","0.0448","","","0.0943","0.1048","","","","","","1.062","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211810","22.0591","0.0002","9.2269","0.0001","17.1097","0.0003","90","","108.214","0.001","90","","3307.97","0.08","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H10 Ag N2 O9 Sm -","- C14 H10 Ag N2 O9 Sm -","- C112 H80 Ag8 N16 O72 Sm8 -","8","1","","Qiu, Yongcai; Liu, Zhihui; Mou, Jixia; Deng, Hong; Zeller, Matthias","Rationally designed and controlled syntheses of different series of 4d‒4f heterometallic coordination frameworks based on lanthanide carboxylate and Ag(IN)2 substructures","CrystEngComm","2010","12","1","277","","10.1039/b915025k","","","0.71073","MoKα","","0.038","0.0258","","","0.0528","0.0575","","","","","","1.032","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211811","7.6815","0.0001","18.9433","0.0004","12.1566","0.0002","90","","106.929","0.001","90","","1692.29","0.05","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 Ag La N2 O9 -","- C15 H12 Ag La N2 O9 -","- C60 H48 Ag4 La4 N8 O36 -","4","1","","Qiu, Yongcai; Liu, Zhihui; Mou, Jixia; Deng, Hong; Zeller, Matthias","Rationally designed and controlled syntheses of different series of 4d‒4f heterometallic coordination frameworks based on lanthanide carboxylate and Ag(IN)2 substructures","CrystEngComm","2010","12","1","277","","10.1039/b915025k","","","0.71073","MoKα","","0.0392","0.0324","","","0.0711","0.074","","","","","","1.119","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211812","7.5983","0.0001","18.8221","0.0002","12.1","0.0002","90","","106.648","0.001","90","","1657.96","0.04","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 Ag N2 Nd O9 -","- C15 H12 Ag N2 Nd O9 -","- C60 H48 Ag4 N8 Nd4 O36 -","4","1","","Qiu, Yongcai; Liu, Zhihui; Mou, Jixia; Deng, Hong; Zeller, Matthias","Rationally designed and controlled syntheses of different series of 4d‒4f heterometallic coordination frameworks based on lanthanide carboxylate and Ag(IN)2 substructures","CrystEngComm","2010","12","1","277","","10.1039/b915025k","","","0.71073","MoKα","","0.0261","0.0217","","","0.0465","0.0483","","","","","","1.058","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211813","14.367","0.0006","15.0764","0.0006","17.3874","0.0006","85.911","0.002","83.182","0.003","84.224","0.003","3713.8","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H56 Ag4 Cl2 La3 N8 O37.5 -","- C54 H56.01 Ag4 Cl2 La3 N8 O37.505 -","- C108 H112.02 Ag8 Cl4 La6 N16 O75.01 -","2","1","","Qiu, Yongcai; Liu, Zhihui; Mou, Jixia; Deng, Hong; Zeller, Matthias","Rationally designed and controlled syntheses of different series of 4d‒4f heterometallic coordination frameworks based on lanthanide carboxylate and Ag(IN)2 substructures","CrystEngComm","2010","12","1","277","","10.1039/b915025k","","","0.71073","MoKα","","0.0907","0.0494","","","0.1024","0.1159","","","","","","0.974","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7211814","14.0535","0.0004","14.8033","0.0004","17.3184","0.0004","86.265","0.002","84.502","0.002","84.233","0.002","3562.55","0.16","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H52.25 Ag4 Cl2 N8 O35.63 Sm3 -","- C54 H52.254 Ag4 Cl2 N8 O35.627 Sm3 -","- C108 H104.508 Ag8 Cl4 N16 O71.254 Sm6 -","2","1","","Qiu, Yongcai; Liu, Zhihui; Mou, Jixia; Deng, Hong; Zeller, Matthias","Rationally designed and controlled syntheses of different series of 4d‒4f heterometallic coordination frameworks based on lanthanide carboxylate and Ag(IN)2 substructures","CrystEngComm","2010","12","1","277","","10.1039/b915025k","","","0.71073","MoKα","","0.098","0.0586","","","0.1311","0.146","","","","","","0.972","","","","has coordinates,has disorder","180449","2020-10-21","18:00:00",""
"7211815","8.0578","0.0002","10.6254","0.0002","17.1987","0.0003","82.343","0.001","78.997","0.001","71.053","0.001","1363.09","0.05","296","2","296","2","","","","","","","","7","P 1","P 1","1","","","","- C39 H44 Ag3 Cl2 Eu2 N6 O31 -","- C39 H44 Ag3 Cl2 Eu2 N6 O31 -","- C39 H44 Ag3 Cl2 Eu2 N6 O31 -","1","1","","Qiu, Yongcai; Liu, Zhihui; Mou, Jixia; Deng, Hong; Zeller, Matthias","Rationally designed and controlled syntheses of different series of 4d‒4f heterometallic coordination frameworks based on lanthanide carboxylate and Ag(IN)2 substructures","CrystEngComm","2010","12","1","277","","10.1039/b915025k","","","0.71073","MoKα","","0.03","0.0259","","","0.051","0.0527","","","","","","0.977","","","","has coordinates,has disorder","180449","2020-10-21","18:00:00",""
"7211816","14.388","0.0002","15.0923","0.0002","17.3671","0.0002","86.038","0.001","83.144","0.001","84.315","0.001","3719.58","0.08","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H56 Ag4 Cl2 Lu3 N8 O37 -","- C54 H56 Ag4 Cl2 Lu3 N8 O37 -","- C108 H112 Ag8 Cl4 Lu6 N16 O74 -","2","1","","Qiu, Yongcai; Liu, Zhihui; Mou, Jixia; Deng, Hong; Zeller, Matthias","Rationally designed and controlled syntheses of different series of 4d‒4f heterometallic coordination frameworks based on lanthanide carboxylate and Ag(IN)2 substructures","CrystEngComm","2010","12","1","277","","10.1039/b915025k","","","0.71073","MoKα","","0.1124","0.0796","","","0.2356","0.2603","","","","","","1.097","","","","has coordinates,has disorder","180449","2020-10-21","18:00:00",""
"7211817","8.3624","0.0005","16.903","0.001","17.3261","0.001","93.234","0.004","97.017","0.004","100.01","0.004","2386.1","0.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H34 Ag3 Cl Eu2 N7 O26 -","- C37 H34 Ag3 Cl Eu2 N7 O26 -","- C74 H68 Ag6 Cl2 Eu4 N14 O52 -","2","1","","Qiu, Yongcai; Liu, Zhihui; Mou, Jixia; Deng, Hong; Zeller, Matthias","Rationally designed and controlled syntheses of different series of 4d‒4f heterometallic coordination frameworks based on lanthanide carboxylate and Ag(IN)2 substructures","CrystEngComm","2010","12","1","277","","10.1039/b915025k","","","0.71073","MoKα","","0.1267","0.1008","","","0.2539","0.2664","","","","","","1.131","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211818","5.8629","0.0002","8.488","0.0003","8.874","0.0003","108.55","0.002","103.457","0.002","102.463","0.002","386.53","0.02","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H17 Ag N2 O8 -","- C12 H17 Ag N2 O8 -","- C12 H17 Ag N2 O8 -","1","0.5","","Qiu, Yongcai; Liu, Zhihui; Mou, Jixia; Deng, Hong; Zeller, Matthias","Rationally designed and controlled syntheses of different series of 4d‒4f heterometallic coordination frameworks based on lanthanide carboxylate and Ag(IN)2 substructures","CrystEngComm","2010","12","1","277","","10.1039/b915025k","","","0.71073","MoKα","","0.0209","0.0199","","","0.0516","0.0523","","","","","","1.049","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211819","11.676","0.005","14.352","0.005","16.06","0.005","69.709","0.005","72.71","0.005","86.738","0.005","2407","1.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H42 Ce4 N4 O85 W12 -","- C14 H17 Ce2 N2 O42 W6 -","- C28 H34 Ce4 N4 O84 W12 -","2","1","","Hu, Mi-Xia; Chen, Ya-Guang; Zhang, Chun-Jing; Kong, Qing-Jiao","High-dimensional frameworks dependent on coordination mode of ligand controlled by acidity of reaction solution. Syntheses, structures, magnetic and fluorescence properties of eight new compounds","CrystEngComm","2010","12","5","1454","","10.1039/b915118d","","","0.71069","MoKα","","0.1054","0.0869","","","0.1815","0.1897","","","","","","1.158","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211820","11.616","0.005","14.3","0.005","15.954","0.005","69.947","0.005","72.674","0.005","86.799","0.005","2373.3","1.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H16 N2 Nd2 O44 W6 -","- C14 H16 N2 Nd2 O44 W6 -","- C28 H32 N4 Nd4 O88 W12 -","2","1","","Hu, Mi-Xia; Chen, Ya-Guang; Zhang, Chun-Jing; Kong, Qing-Jiao","High-dimensional frameworks dependent on coordination mode of ligand controlled by acidity of reaction solution. Syntheses, structures, magnetic and fluorescence properties of eight new compounds","CrystEngComm","2010","12","5","1454","","10.1039/b915118d","","","0.71069","MoKα","","0.1086","0.0848","","","0.1695","0.1777","","","","","","1.153","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211821","23.426","0.005","20.471","0.005","29.406","0.005","90","0.005","90","0.005","90","0.005","14102","5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H29 N3 Nd3 O72 W12 -","- C21 H29 N3 Nd3 O72 W12 -","- C168 H232 N24 Nd24 O576 W96 -","8","1","","Hu, Mi-Xia; Chen, Ya-Guang; Zhang, Chun-Jing; Kong, Qing-Jiao","High-dimensional frameworks dependent on coordination mode of ligand controlled by acidity of reaction solution. Syntheses, structures, magnetic and fluorescence properties of eight new compounds","CrystEngComm","2010","12","5","1454","","10.1039/b915118d","","","0.71069","MoKα","","0.0647","0.0435","","","0.0992","0.1057","","","","","","1.049","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211822","23.44","0.005","20.489","0.005","29.486","0.005","90","0.005","90","0.005","90","0.005","14161","5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H29 N3 O72 Pr3 W12 -","- C21 H29 N3 O72 Pr3 W12 -","- C168 H232 N24 O576 Pr24 W96 -","8","1","","Hu, Mi-Xia; Chen, Ya-Guang; Zhang, Chun-Jing; Kong, Qing-Jiao","High-dimensional frameworks dependent on coordination mode of ligand controlled by acidity of reaction solution. Syntheses, structures, magnetic and fluorescence properties of eight new compounds","CrystEngComm","2010","12","5","1454","","10.1039/b915118d","","","0.71069","MoKα","","0.1019","0.0506","","","0.0945","0.1122","","","","","","1.012","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211823","23.472","0.005","20.489","0.005","29.669","0.005","90","0.005","90","0.005","90","0.005","14268","5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H29 Ce3 N3 O72 W12 -","- C21 H29 Ce3 N3 O72 W12 -","- C168 H232 Ce24 N24 O576 W96 -","8","1","","Hu, Mi-Xia; Chen, Ya-Guang; Zhang, Chun-Jing; Kong, Qing-Jiao","High-dimensional frameworks dependent on coordination mode of ligand controlled by acidity of reaction solution. Syntheses, structures, magnetic and fluorescence properties of eight new compounds","CrystEngComm","2010","12","5","1454","","10.1039/b915118d","","","0.71069","MoKα","","0.0881","0.048","","","0.1039","0.1239","","","","","","1.041","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211824","23.556","0.005","20.499","0.005","29.823","0.005","90","0.005","90","0.005","90","0.005","14401","5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H29 La3 N3 O72 W12 -","- C21 H29 La3 N3 O72 W12 -","- C168 H232 La24 N24 O576 W96 -","8","1","","Hu, Mi-Xia; Chen, Ya-Guang; Zhang, Chun-Jing; Kong, Qing-Jiao","High-dimensional frameworks dependent on coordination mode of ligand controlled by acidity of reaction solution. Syntheses, structures, magnetic and fluorescence properties of eight new compounds","CrystEngComm","2010","12","5","1454","","10.1039/b915118d","","","0.71069","MoKα","","0.0768","0.0559","","","0.1354","0.1495","","","","","","1.068","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211825","11.726","0.005","14.404","0.005","16.156","0.005","69.428","0.005","72.781","0.005","86.709","0.005","2436.9","1.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H38 La4 N4 O84 W12 -","- C28 H38 La4 N4 O84 W12 -","- C28 H38 La4 N4 O84 W12 -","1","0.5","","Hu, Mi-Xia; Chen, Ya-Guang; Zhang, Chun-Jing; Kong, Qing-Jiao","High-dimensional frameworks dependent on coordination mode of ligand controlled by acidity of reaction solution. Syntheses, structures, magnetic and fluorescence properties of eight new compounds","CrystEngComm","2010","12","5","1454","","10.1039/b915118d","","","0.71069","MoKα","","0.1331","0.0933","","","0.1868","0.204","","","","","","1.122","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211826","11.615","0.005","14.312","0.005","16.048","0.005","69.908","0.005","72.805","0.005","86.786","0.005","2390.3","1.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H32 Cl2 N4 O85 Pr4 W12 -","- C28 H32 Cl2 N4 O85 Pr4 W12 -","- C28 H32 Cl2 N4 O85 Pr4 W12 -","1","0.5","","Hu, Mi-Xia; Chen, Ya-Guang; Zhang, Chun-Jing; Kong, Qing-Jiao","High-dimensional frameworks dependent on coordination mode of ligand controlled by acidity of reaction solution. Syntheses, structures, magnetic and fluorescence properties of eight new compounds","CrystEngComm","2010","12","5","1454","","10.1039/b915118d","","","0.71069","MoKα","","0.1203","0.0813","","","0.1538","0.1717","","","","","","1.06","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211827","6.77","0.0003","11.7365","0.0005","30.6874","0.0012","90","","90","","90","","2438.3","0.18","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H25 B F4 N4 O4 -","- C23 H25 B F4 N4 O4 -","- C92 H100 B4 F16 N16 O16 -","4","1","","Kalita, Dipjyoti; Baruah, Jubaraj B.","Different spatial orientations of amide derivatives on anion coordination","CrystEngComm","2010","12","5","1562","","10.1039/b915230j","","","0.71073","MoKα","","0.1038","0.0628","","","0.1682","0.2012","","","","","","1.043","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211828","9.4742","0.0009","10.6945","0.0014","21.747","0.002","90","","90.662","0.005","90","","2203.3","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 Cl2 N3 O10 -","- C20 H17 Cl2 N3 O10 -","- C80 H68 Cl8 N12 O40 -","4","1","","Kalita, Dipjyoti; Baruah, Jubaraj B.","Different spatial orientations of amide derivatives on anion coordination","CrystEngComm","2010","12","5","1562","","10.1039/b915230j","","","0.71073","MoKα","","0.1233","0.0836","","","0.2197","0.2478","","","","","","1.043","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211829","14.6536","0.0008","22.5764","0.0012","5.3987","0.0003","90","","90","","90","","1786.03","0.17","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H21 N3 O2 -","- C20 H21 N3 O2 -","- C80 H84 N12 O8 -","4","1","","Kalita, Dipjyoti; Baruah, Jubaraj B.","Different spatial orientations of amide derivatives on anion coordination","CrystEngComm","2010","12","5","1562","","10.1039/b915230j","","","0.71073","MoKα","","0.0917","0.06","","","0.147","0.1687","","","","","","1.1","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211830","33.2881","0.0008","33.2881","0.0008","9.8459","0.0003","90","","90","","120","","9448.5","0.4","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C20 H22 Cl N3 O6 -","- C20 H22 Cl N3 O6 -","- C360 H396 Cl18 N54 O108 -","18","1","","Kalita, Dipjyoti; Baruah, Jubaraj B.","Different spatial orientations of amide derivatives on anion coordination","CrystEngComm","2010","12","5","1562","","10.1039/b915230j","","","0.71073","MoKα","","0.0873","0.065","","","0.2177","0.2491","","","","","","1.162","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211831","10.2608","0.0008","11.4119","0.0008","13.314","0.002","110.27","0.007","107.369","0.007","100.928","0.005","1318.9","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H61 N5 Ni2 O24 -","- C39 H61 N5 Ni2 O24 -","- C39 H61 N5 Ni2 O24 -","1","0.5","","Meng, Qing-Guo; Yan, Si-Tang; Kong, Guo-Qiang; Yang, Xiu-Li; Wu, Chuan-De","Formation of a 2D supramolecular water framework via metal‒organic unit templating","CrystEngComm","2010","12","3","688","","10.1039/b915253a","","","0.71073","MoKα","","0.0966","0.0481","","","0.1047","0.1199","","","","","","1.017","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211832","9.8087","0.0014","11.592","0.002","14.463","0.002","90","","103.865","0.012","90","","1596.6","0.4","150","2","150","2","","","","","","","diffusion of ether in mother liquor","6","C 1 2/c 1","-C 2yc","15","Co(II)(dipic)(H2O)(dmso)2","Cobalt(II) dipicolinate water solvate dimethylsulfoxide bis-solvate","","- C11 H17 Co N O7 S2 -","- C11 H17 Co N O7 S2 -","- C44 H68 Co4 N4 O28 S8 -","4","0.5","","Felloni, Marina; Blake, Alexander J.; Hubberstey, Peter; Teat, Simon J.; Wilson, Claire; Schröder, Martin","Transition metal dipicolinates as designer T-shaped building blocks","CrystEngComm","2010","12","5","1576","","10.1039/b915440j","","","0.71073","MoKα","","0.0291","0.0257","","0.0671","0.064","","","","1.083","1.099","1.099","","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211833","11.294","0.002","10.135","0.002","15.52","0.003","90","","98.32","0.03","90","","1757.8","0.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Co(II)(dipic)(bipy)](MeOH)(H2O)","","","- C18 H17 Co N3 O6 -","- C17.5 H11 Co N3 O5.5 -","- C70 H44 Co4 N12 O22 -","4","1","","Felloni, Marina; Blake, Alexander J.; Hubberstey, Peter; Teat, Simon J.; Wilson, Claire; Schröder, Martin","Transition metal dipicolinates as designer T-shaped building blocks","CrystEngComm","2010","12","5","1576","","10.1039/b915440j","","","0.6861","synchrotron","","0.0834","0.0734","","","0.192","0.197","","","","","","1.17","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7211834","10.5281","0.0009","20.152","0.002","7.3501","0.0006","90","","107.539","0.001","90","","1486.9","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Co(II) dipic 0.5(4,4-bipy) 2(H2O)] 2(H2O)","","","- C12 H15 Co N2 O8 -","- C12 H15 Co N2 O8 -","- C48 H60 Co4 N8 O32 -","4","1","","Felloni, Marina; Blake, Alexander J.; Hubberstey, Peter; Teat, Simon J.; Wilson, Claire; Schröder, Martin","Transition metal dipicolinates as designer T-shaped building blocks","CrystEngComm","2010","12","5","1576","","10.1039/b915440j","","","0.71073","MoKα","","0.0319","0.0268","","","0.0692","0.0715","","","","","","1.045","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211835","25.23","0.002","10.547","0.0009","10.9426","0.0009","90","","109.021","0.001","90","","2752.8","0.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Co(II)(H2O)(dipic)(4,4'-bipy)](H2O)","","","- C24 H28 Co2 N4 O15 -","- C24 H26 Co2 N4 O15 -","- C96 H104 Co8 N16 O60 -","4","0.5","","Felloni, Marina; Blake, Alexander J.; Hubberstey, Peter; Teat, Simon J.; Wilson, Claire; Schröder, Martin","Transition metal dipicolinates as designer T-shaped building blocks","CrystEngComm","2010","12","5","1576","","10.1039/b915440j","","","0.71073","MoKα","","0.0355","0.0313","","","0.0766","0.079","","","","","","1.052","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211836","11.3573","0.0007","10.245","0.0007","15.6754","0.0013","90","","99.498","0.002","90","","1798.9","0.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[dipicolinate Co(II) 4,4-bipy)] hydrated","Co(II) dipicolinate 4,4-bipyridyl complex tris hydrated","","- C17 H17 Co N3 O7 -","- C17 H11 Co N3 O7 -","- C68 H44 Co4 N12 O28 -","4","1","","Felloni, Marina; Blake, Alexander J.; Hubberstey, Peter; Teat, Simon J.; Wilson, Claire; Schröder, Martin","Transition metal dipicolinates as designer T-shaped building blocks","CrystEngComm","2010","12","5","1576","","10.1039/b915440j","","","0.71073","MoKα","","0.148","0.0834","","","0.181","0.204","","","","","","1.18","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211837","11.445","0.005","16.353","0.007","10.25","0.004","90","","90.065","0.005","90","","1918.4","1.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Co(II)(dipic)(4,4-bipy)]2(H2O)0.5(dmso)","","","- C18 H18 Co N3 O6.5 S0.5 -","- C18 H11 Co N3 O6.5 S0.5 -","- C72 H44 Co4 N12 O26 S2 -","4","1","","Felloni, Marina; Blake, Alexander J.; Hubberstey, Peter; Teat, Simon J.; Wilson, Claire; Schröder, Martin","Transition metal dipicolinates as designer T-shaped building blocks","CrystEngComm","2010","12","5","1576","","10.1039/b915440j","","","0.71073","MoKα","","0.0879","0.0611","","","0.147","0.161","","","","","","1.03","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7211838","8.5299","0.0005","18.6015","0.0011","16.0248","0.001","90","","94.641","0.002","90","","2534.3","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[1.5(4,4-bipy)Ni(picolinate)].DMSO.MeOH","","","- C25 H24 N4 Ni O6 S -","- C24.8 H20.4 N4 Ni O5.9 S -","- C99.2 H81.6 N16 Ni4 O23.6 S4 -","4","1","","Felloni, Marina; Blake, Alexander J.; Hubberstey, Peter; Teat, Simon J.; Wilson, Claire; Schröder, Martin","Transition metal dipicolinates as designer T-shaped building blocks","CrystEngComm","2010","12","5","1576","","10.1039/b915440j","","","0.71073","MoKα","","0.0465","0.0401","","","0.1023","0.1047","","","","","","1.141","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7211839","13.1967","0.0007","15.847","0.0008","10.6187","0.0005","90","","100.31","0.002","90","","2184.81","0.19","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Ni(II)(dipic)(diazobpe)](H2O)(diazobpe)0.5","","","- C22 H17 N7 Ni O5 -","- C22 H17 N7 Ni O5 -","- C88 H68 N28 Ni4 O20 -","4","1","","Felloni, Marina; Blake, Alexander J.; Hubberstey, Peter; Teat, Simon J.; Wilson, Claire; Schröder, Martin","Transition metal dipicolinates as designer T-shaped building blocks","CrystEngComm","2010","12","5","1576","","10.1039/b915440j","","","0.69","synchrotron","","0.062","0.0417","","","0.0904","0.0978","","","","","","1.045","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211840","18.892","0.006","8.215","0.003","14.4","0.004","90","","90","","90","","2234.8","1.2","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C12 H8 I N O2 -","- C12 H8 I N O2 -","- C96 H64 I8 N8 O16 -","8","0.5","","Labat, Gaël; Behrnd, Norwid-Rasmus; Couderc, Gaëtan; Bonin, Michel; Tsuwi, Julius; Batagiannis, Athanasios; Berger, Ricarda; Bertoni, Mariana; Prodi-Schwab, Anna; Hulliger, Jürg","Polymorphism, polar morphology and absolute structure determination of 4-iodo-4′-nitrobiphenyl (INBP)","CrystEngComm","2010","12","4","1252","","10.1039/b915469h","","","0.71073","MoKα","","0.0715","0.0305","","","0.0548","0.0641","","","","","","0.897","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211841","10.405","0.003","14.441","0.005","8.194","0.002","90","","112.074","0.018","90","","1141","0.6","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C12 H8 I N O2 -","- C12 H8 I N O2 -","- C48 H32 I4 N4 O8 -","4","1","","Labat, Gaël; Behrnd, Norwid-Rasmus; Couderc, Gaëtan; Bonin, Michel; Tsuwi, Julius; Batagiannis, Athanasios; Berger, Ricarda; Bertoni, Mariana; Prodi-Schwab, Anna; Hulliger, Jürg","Polymorphism, polar morphology and absolute structure determination of 4-iodo-4′-nitrobiphenyl (INBP)","CrystEngComm","2010","12","4","1252","","10.1039/b915469h","","","0.71073","MoKα","","0.0535","0.0281","","","0.0511","0.0576","","","","","","1.022","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211842","8.43","0.0017","8.751","0.0018","11.484","0.002","73.65","0.03","83.56","0.03","78.56","0.03","795.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H30 N10 O8 Zn -","- C32 H30 N10 O8 Zn -","- C32 H30 N10 O8 Zn -","1","0.5","","Huang, Fu-Ping; Tian, Jin-Lei; Chen, Gong-Jun; Li, Dong-Dong; Gu, Wen; Liu, Xin; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","A case study of the ZnII-BDC/bpt mixed-ligand system: positional isomeric effect, structural diversification and luminescent properties","CrystEngComm","2010","12","4","1269","","10.1039/b915506f","","","0.71073","MoKα","","0.0563","0.0451","","","0.0905","0.0959","","","","","","1.03","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211843","8.485","0.0017","9.878","0.002","11.724","0.002","89.78","0.03","84.81","0.03","69.71","0.03","917.5","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H13 N5 O4 Zn -","- C20 H13 N5 O4 Zn -","- C40 H26 N10 O8 Zn2 -","2","1","","Huang, Fu-Ping; Tian, Jin-Lei; Chen, Gong-Jun; Li, Dong-Dong; Gu, Wen; Liu, Xin; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","A case study of the ZnII-BDC/bpt mixed-ligand system: positional isomeric effect, structural diversification and luminescent properties","CrystEngComm","2010","12","4","1269","","10.1039/b915506f","","","0.71073","MoKα","","0.0646","0.0488","","","0.1128","0.1197","","","","","","1.028","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211844","7.269","0.0015","11.546","0.002","21.291","0.004","90","","90.82","0.03","90","","1786.7","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H13 N5 O4 Zn -","- C20 H13 N5 O4 Zn -","- C80 H52 N20 O16 Zn4 -","4","1","","Huang, Fu-Ping; Tian, Jin-Lei; Chen, Gong-Jun; Li, Dong-Dong; Gu, Wen; Liu, Xin; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","A case study of the ZnII-BDC/bpt mixed-ligand system: positional isomeric effect, structural diversification and luminescent properties","CrystEngComm","2010","12","4","1269","","10.1039/b915506f","","","0.71073","MoKα","","0.061","0.0501","","","0.1045","0.1095","","","","","","1.004","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211845","8.854","0.0018","9.706","0.0019","11.506","0.002","72.85","0.03","78.23","0.03","77","0.03","910.5","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H32 N10 O9 Zn -","- C32 H32 N10 O9 Zn -","- C32 H32 N10 O9 Zn -","1","0.5","","Huang, Fu-Ping; Tian, Jin-Lei; Chen, Gong-Jun; Li, Dong-Dong; Gu, Wen; Liu, Xin; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","A case study of the ZnII-BDC/bpt mixed-ligand system: positional isomeric effect, structural diversification and luminescent properties","CrystEngComm","2010","12","4","1269","","10.1039/b915506f","","","0.71073","MoKα","","0.0664","0.0554","","","0.1391","0.1447","","","","","","1.005","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211846","8.046","0.0016","9.589","0.0019","19.618","0.004","85.37","0.03","87.38","0.03","70.57","0.03","1422.4","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H25 N5 O12 Zn2 -","- C28 H25 N5 O12 Zn2 -","- C56 H50 N10 O24 Zn4 -","2","1","","Huang, Fu-Ping; Tian, Jin-Lei; Chen, Gong-Jun; Li, Dong-Dong; Gu, Wen; Liu, Xin; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","A case study of the ZnII-BDC/bpt mixed-ligand system: positional isomeric effect, structural diversification and luminescent properties","CrystEngComm","2010","12","4","1269","","10.1039/b915506f","","","0.71073","MoKα","","0.0553","0.0443","","","0.122","0.1278","","","","","","1.052","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211847","12.683","0.003","11.98","0.002","13.597","0.003","90","","97.7","0.03","90","","2047.3","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 N5 O5 Zn -","- C20 H15 N5 O5 Zn -","- C80 H60 N20 O20 Zn4 -","4","1","","Huang, Fu-Ping; Tian, Jin-Lei; Chen, Gong-Jun; Li, Dong-Dong; Gu, Wen; Liu, Xin; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","A case study of the ZnII-BDC/bpt mixed-ligand system: positional isomeric effect, structural diversification and luminescent properties","CrystEngComm","2010","12","4","1269","","10.1039/b915506f","","","0.71073","MoKα","","0.0535","0.0401","","","0.0895","0.0951","","","","","","1.041","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211848","7.269","0.0015","16.82","0.003","22.264","0.005","90","","98.04","0.03","90","","2695.3","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H17 N5 O8 Zn2 -","- C28 H17 N5 O8 Zn2 -","- C112 H68 N20 O32 Zn8 -","4","1","","Huang, Fu-Ping; Tian, Jin-Lei; Chen, Gong-Jun; Li, Dong-Dong; Gu, Wen; Liu, Xin; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","A case study of the ZnII-BDC/bpt mixed-ligand system: positional isomeric effect, structural diversification and luminescent properties","CrystEngComm","2010","12","4","1269","","10.1039/b915506f","","","0.71073","MoKα","","0.1101","0.0758","","","0.1173","0.1284","","","","","","1.052","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211849","17.498","0.004","10.193","0.002","23.34","0.005","90","","90.47","0.03","90","","4162.7","1.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H34 N10 O10 Zn2 -","- C42 H34 N10 O10 Zn2 -","- C168 H136 N40 O40 Zn8 -","4","1","","Huang, Fu-Ping; Tian, Jin-Lei; Chen, Gong-Jun; Li, Dong-Dong; Gu, Wen; Liu, Xin; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","A case study of the ZnII-BDC/bpt mixed-ligand system: positional isomeric effect, structural diversification and luminescent properties","CrystEngComm","2010","12","4","1269","","10.1039/b915506f","","","0.71073","MoKα","","0.1342","0.0916","","","0.1458","0.1623","","","","","","1.031","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211850","11.2784","0.0013","22.6","0.003","22.521","0.005","104.626","0.014","100.215","0.014","96.241","0.009","5394.9","1.6","90","2","90","2","","","","","","","synthesis as described","6","P 1","P 1","1","","","","- C160 H128 N32 Ni8 O76.53 V24 -","- C160 H128 N32 Ni8 O76.539 V24 -","- C160 H128 N32 Ni8 O76.539 V24 -","1","1","","Fernández de Luis, Roberto; Urtiaga, Miren Karmele; Mesa, José Luis; Aguayo, Andrés Tomás; Rojo, Teófilo; Arriortua, María Isabel","Four nodal self-catenated [{Ni8(Bpy)16}V24O68]·8.5(H2O), combining three dimensional metal‒organic and inorganic frameworks","CrystEngComm","2010","12","6","1880","","10.1039/b915539b","","x-ray","1.5418","CuKα","","0.0727","0.054","","","0.1314","0.1454","","","","","","1.026","","","","has coordinates,has disorder","180449","2020-10-21","18:00:00",""
"7211851","21.5","0.017","27.568","0.017","7.428","0.005","90","","90","","90","","4403","5","293","2","293","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C9 H10 Br Cu N4 -","- C9 H10.5 Br Cu N4 -","- C144 H168 Br16 Cu16 N64 -","16","","","Jin, Chuan-Ming; Zhu, Zhu; Yao, Ming-Xia; Meng, Xiang-Gao","In situ reduction from CuX2 (X = Br, Cl) to Cu(I) halide clusters based on ligand bis(2-methylimidazo-1-yl)methane","CrystEngComm","2010","12","2","358","","10.1039/b915584h","","","0.71073","MoKα","","0.1361","0.0917","","","0.2555","0.2718","","","","","","1.086","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7211852","12.9571","0.0002","12.9571","0.0002","30.97","0.0007","90","","90","","90","","5199.44","0.16","153","2","153","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C9 H12 Cl2 Cu2 N4 -","- C9 H12 Cl2 Cu2 N4 -","- C144 H192 Cl32 Cu32 N64 -","16","0.5","","Jin, Chuan-Ming; Zhu, Zhu; Yao, Ming-Xia; Meng, Xiang-Gao","In situ reduction from CuX2 (X = Br, Cl) to Cu(I) halide clusters based on ligand bis(2-methylimidazo-1-yl)methane","CrystEngComm","2010","12","2","358","","10.1039/b915584h","","","0.71073","MoKα","","0.0672","0.0589","","","0.1892","0.2025","","","","","","1.03","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211853","3.8822","0.0008","8.09","0.0017","10.318","0.002","96.751","0.004","91.577","0.004","93.729","0.004","320.93","0.11","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C4 H3 Cl Cu2 N2 S -","- C4 H3 Cl Cu2 N2 S -","- C8 H6 Cl2 Cu4 N4 S2 -","2","1","","Hao, Zheng-Ming; Wang, Jun; Zhang, Xian-Ming","Red phosphorescent cuprous halide/pseudohalide coordination polymers with pyrimidine-2-thionates as Co-ligands","CrystEngComm","2010","12","4","1103","","10.1039/b915615a","","","0.71073","MoKα","","0.0713","0.0527","","","0.139","0.1475","","","","","","1.081","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211854","10.764","0.003","7.732","0.002","16.538","0.004","90","","101.929","0.005","90","","1346.7","0.6","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H6 Cu3 N5 S3 -","- C9 H6 Cu3 N5 S3 -","- C36 H24 Cu12 N20 S12 -","4","1","","Hao, Zheng-Ming; Wang, Jun; Zhang, Xian-Ming","Red phosphorescent cuprous halide/pseudohalide coordination polymers with pyrimidine-2-thionates as Co-ligands","CrystEngComm","2010","12","4","1103","","10.1039/b915615a","","","0.71073","MoKα","","0.0654","0.0494","","","0.1022","0.1104","","","","","","1.083","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211855","10.4687","0.0016","7.7318","0.0012","15.289","0.002","90","","95.702","0.003","90","","1231.4","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H6 Cu3 I N4 S2 -","- C8 H6 Cu3 I N4 S2 -","- C32 H24 Cu12 I4 N16 S8 -","4","1","","Hao, Zheng-Ming; Wang, Jun; Zhang, Xian-Ming","Red phosphorescent cuprous halide/pseudohalide coordination polymers with pyrimidine-2-thionates as Co-ligands","CrystEngComm","2010","12","4","1103","","10.1039/b915615a","","","0.71073","MoKα","","0.0833","0.0572","","","0.101","0.1147","","","","","","1.123","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211856","17.3499","0.0012","15.464","0.001","13.2336","0.0009","90","","90","","90","","3550.6","0.4","298","2","298","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H12 Cu11 I7 N8 S4 -","- C16 H12 Cu11 I7 N8 S4 -","- C64 H48 Cu44 I28 N32 S16 -","4","0.5","","Hao, Zheng-Ming; Wang, Jun; Zhang, Xian-Ming","Red phosphorescent cuprous halide/pseudohalide coordination polymers with pyrimidine-2-thionates as Co-ligands","CrystEngComm","2010","12","4","1103","","10.1039/b915615a","","","0.71073","MoKα","","0.0714","0.0597","","","0.1599","0.1816","","","","","","1.141","","","","has coordinates,has disorder","180449","2020-10-21","18:00:00",""
"7211857","26.3998","0.0015","11.3528","0.0006","22.2355","0.0012","90","","90","","90","","6664.2","0.6","100","2","100","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C50 H68 Fe N18 O36 -","- C50 H44 Fe N18 O36 -","- C200 H176 Fe4 N72 O144 -","4","0.25","","Abouelwafa, Ahmed S.; Mereacre, Valeriu; Balaban, Teodor S.; Anson, Christopher E.; Powell, Annie K.","Photo- and thermally-enhanced charge separation in supramolecular viologen‒hexacyanoferrate complexes","CrystEngComm","2010","12","1","94","","10.1039/b915642a","","","0.71073","MoKα","","0.0819","0.0721","","","0.1928","0.2023","","","","","","0.991","","","","has coordinates,has disorder","180449","2020-10-21","18:00:00",""
"7211858","26.442","0.003","11.3715","0.0012","22.311","0.002","90","","90","","90","","6708.6","1.2","100","2","100","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C50 H68 Fe N18 O36 -","- C50 H44 Fe N18 O36 -","- C200 H176 Fe4 N72 O144 -","4","0.25","","Abouelwafa, Ahmed S.; Mereacre, Valeriu; Balaban, Teodor S.; Anson, Christopher E.; Powell, Annie K.","Photo- and thermally-enhanced charge separation in supramolecular viologen‒hexacyanoferrate complexes","CrystEngComm","2010","12","1","94","","10.1039/b915642a","","","0.71073","MoKα","","0.0829","0.0692","","","0.1904","0.2028","","","","","","1.041","","","","has coordinates,has disorder","180449","2020-10-21","18:00:00",""
"7211860","20.3711","0.0005","20.3711","0.0005","13.7711","0.0008","90","","90","","90","","5714.8","0.4","293","2","293","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C17 H11 Br Cu6 N12 O6 -","- C17 H11 Br Cu6 N12 O6 -","- C136 H88 Br8 Cu48 N96 O48 -","8","0.5","","Zhang, Zhi-Ling; Shen, Gui-Lan; Cheng, Ying; Ding, You-Bang; Yin, Ye-Gao; Li, Dan","Isomorphic polysupramolecules assembled from mixed valent Cu-triazolate sheets, benzene-1,3,5-tricarboxylates and halides","CrystEngComm","2010","12","4","1171","","10.1039/b915850b","","","0.71073","MoKα","","0.0542","0.0366","","","0.0963","0.1206","","","","","","1.138","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211861","20.321","0.002","20.321","","13.699","0.001","90","","90","","90","","5656.9","0.7","293","2","293","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C17 H11 Cl Cu6 N12 O6 -","- C17 H11 Cl Cu6 N12 O6 -","- C136 H88 Cl8 Cu48 N96 O48 -","8","0.5","","Zhang, Zhi-Ling; Shen, Gui-Lan; Cheng, Ying; Ding, You-Bang; Yin, Ye-Gao; Li, Dan","Isomorphic polysupramolecules assembled from mixed valent Cu-triazolate sheets, benzene-1,3,5-tricarboxylates and halides","CrystEngComm","2010","12","4","1171","","10.1039/b915850b","","","0.71073","MoKα","","0.1112","0.06","","","0.1533","0.1954","","","","","","1.096","","","","has coordinates,has disorder","180449","2020-10-21","18:00:00",""
"7211862","7.378","0.003","11.238","0.005","11.373","0.005","90.253","0.006","94.771","0.006","105.027","0.005","907.2","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 N2 O6 Zn -","- C20 H20 N2 O6 Zn -","- C40 H40 N4 O12 Zn2 -","2","1","","Yang, Guo-Ping; Wang, Yao-Yu; Zhang, Wei-Hong; Fu, Ai-Yun; Liu, Rui-Ting; Lermontova, Elmira Kh.; Shi, Qi-Zhen","A series of Zn(ii) coordination complexes derived from isomeric phenylenediacetic acid and dipyridyl ligands: syntheses, crystal structures, and characterizations","CrystEngComm","2010","12","5","1509","","10.1039/b915889h","","","0.71073","MoKα","","0.1053","0.1002","","","0.3411","0.3431","","","","","","1.053","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211863","6.2047","0.0007","17.746","0.002","20.4535","0.0019","90","","99.009","0.003","90","","2224.3","0.4","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 N2 O7 Zn -","- C22 H24 N2 O7 Zn -","- C88 H96 N8 O28 Zn4 -","4","1","","Yang, Guo-Ping; Wang, Yao-Yu; Zhang, Wei-Hong; Fu, Ai-Yun; Liu, Rui-Ting; Lermontova, Elmira Kh.; Shi, Qi-Zhen","A series of Zn(ii) coordination complexes derived from isomeric phenylenediacetic acid and dipyridyl ligands: syntheses, crystal structures, and characterizations","CrystEngComm","2010","12","5","1509","","10.1039/b915889h","","","0.71073","MoKα","","0.1048","0.046","","","0.0925","0.1225","","","","","","1.074","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211864","8.3194","0.0011","11.3886","0.0015","11.444","0.003","109.818","0.003","92.908","0.003","111.323","0.002","931.3","0.3","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 N2 O6 Zn -","- C20 H20 N2 O6 Zn -","- C40 H40 N4 O12 Zn2 -","2","1","","Yang, Guo-Ping; Wang, Yao-Yu; Zhang, Wei-Hong; Fu, Ai-Yun; Liu, Rui-Ting; Lermontova, Elmira Kh.; Shi, Qi-Zhen","A series of Zn(ii) coordination complexes derived from isomeric phenylenediacetic acid and dipyridyl ligands: syntheses, crystal structures, and characterizations","CrystEngComm","2010","12","5","1509","","10.1039/b915889h","","","0.71073","MoKα","","0.0628","0.0451","","","0.1274","0.1443","","","","","","1.094","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211865","6.8963","0.0008","9.4798","0.0012","16.697","0.002","90.66","0.002","101.526","0.002","91.251","0.002","1069.2","0.2","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H24 N2 O6 Zn -","- C22 H24 N2 O6 Zn -","- C44 H48 N4 O12 Zn2 -","2","1","","Yang, Guo-Ping; Wang, Yao-Yu; Zhang, Wei-Hong; Fu, Ai-Yun; Liu, Rui-Ting; Lermontova, Elmira Kh.; Shi, Qi-Zhen","A series of Zn(ii) coordination complexes derived from isomeric phenylenediacetic acid and dipyridyl ligands: syntheses, crystal structures, and characterizations","CrystEngComm","2010","12","5","1509","","10.1039/b915889h","","","0.71073","MoKα","","0.0786","0.0625","","","0.1825","0.1919","","","","","","1.055","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211866","9.562","0.004","10.592","0.002","10.94","0.002","115.892","0.004","105.631","0.005","95.654","0.005","929.6","0.5","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H20 N2 O5 Zn -","- C21 H20 N2 O5 Zn -","- C42 H40 N4 O10 Zn2 -","2","1","","Yang, Guo-Ping; Wang, Yao-Yu; Zhang, Wei-Hong; Fu, Ai-Yun; Liu, Rui-Ting; Lermontova, Elmira Kh.; Shi, Qi-Zhen","A series of Zn(ii) coordination complexes derived from isomeric phenylenediacetic acid and dipyridyl ligands: syntheses, crystal structures, and characterizations","CrystEngComm","2010","12","5","1509","","10.1039/b915889h","","","0.71073","MoKα","","0.1103","0.0673","","","0.1481","0.1567","","","","","","1.064","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211867","6.724","0.0009","11.8927","0.0019","16.302","0.003","90","","94.894","0.01","90","","1298.9","0.4","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H17 Mg O12 -","- C5 H17 Mg O12 -","- C20 H68 Mg4 O48 -","4","1","","Liu, Hsin-Kuan; Tsao, Tai-Hsing; Lin, Chia-Her; Zima, Vítězslav","Direct-mixing assembly of a magnesium coordination complex as recyclable water adsorbent,","CrystEngComm","2010","12","4","1044","","10.1039/b915987h","","","0.71073","MoKα","","0.1568","0.0633","","","0.136","0.1784","","","","","","0.965","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211868","9.3927","0.0007","10.1933","0.0006","11.1398","0.0007","87.557","0.004","77.136","0.003","69.927","0.004","975.96","0.11","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H24 Mg2 O19 -","- C10 H24 Mg2 O19 -","- C20 H48 Mg4 O38 -","2","1","","Liu, Hsin-Kuan; Tsao, Tai-Hsing; Lin, Chia-Her; Zima, Vítězslav","Direct-mixing assembly of a magnesium coordination complex as recyclable water adsorbent,","CrystEngComm","2010","12","4","1044","","10.1039/b915987h","","","0.71073","MoKα","","0.0962","0.047","","","0.1037","0.1228","","","","","","1","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211869","19.5036","0.0018","5.9798","0.0005","20.4223","0.0018","90","","110.868","0.001","90","","2225.6","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H9 O8.5 Tb -","- C9 H9 O8.5 Tb -","- C72 H72 O68 Tb8 -","8","1","","Wang, Zhuo; Xing, Yong-Heng; Wang, Chun-Guang; Sun, Li-Xian; Zhang, Jian; Ge, Mao-Fa; Niu, Shu-Yun","Synthesis, structure and luminescent properties of coordination polymers with 1,2-benzenedicarboxylic acid and a series of flexible dicarboxylate ligands","CrystEngComm","2010","12","3","762","","10.1039/b916127a","","","0.71073","MoKα","","0.0261","0.0227","","","0.0513","0.053","","","","","","1.041","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211870","19.694","0.003","6.0192","0.0009","20.467","0.003","90","","110.995","0.002","90","","2265.1","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H9 O8.5 Sm -","- C9 H9 O8.5 Sm -","- C72 H72 O68 Sm8 -","8","1","","Wang, Zhuo; Xing, Yong-Heng; Wang, Chun-Guang; Sun, Li-Xian; Zhang, Jian; Ge, Mao-Fa; Niu, Shu-Yun","Synthesis, structure and luminescent properties of coordination polymers with 1,2-benzenedicarboxylic acid and a series of flexible dicarboxylate ligands","CrystEngComm","2010","12","3","762","","10.1039/b916127a","","","0.71073","MoKα","","0.0207","0.0185","","","0.0442","0.0452","","","","","","1.056","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211871","11.673","0.002","5.9691","0.0012","18.456","0.004","90","","97.65","0.03","90","","1274.5","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H11 Eu O9 -","- C10 H9 Eu O9 -","- C40 H36 Eu4 O36 -","4","1","","Wang, Zhuo; Xing, Yong-Heng; Wang, Chun-Guang; Sun, Li-Xian; Zhang, Jian; Ge, Mao-Fa; Niu, Shu-Yun","Synthesis, structure and luminescent properties of coordination polymers with 1,2-benzenedicarboxylic acid and a series of flexible dicarboxylate ligands","CrystEngComm","2010","12","3","762","","10.1039/b916127a","","","0.71073","MoKα","","0.0568","0.0482","","","0.0884","0.0904","","","","","","1.361","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211872","11.703","0.002","5.9725","0.0012","18.446","0.004","90","","97.62","0.03","90","","1277.9","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H11 O9 Sm -","- C10 H11 O9 Sm -","- C40 H44 O36 Sm4 -","4","1","","Wang, Zhuo; Xing, Yong-Heng; Wang, Chun-Guang; Sun, Li-Xian; Zhang, Jian; Ge, Mao-Fa; Niu, Shu-Yun","Synthesis, structure and luminescent properties of coordination polymers with 1,2-benzenedicarboxylic acid and a series of flexible dicarboxylate ligands","CrystEngComm","2010","12","3","762","","10.1039/b916127a","","","0.71073","MoKα","","0.0534","0.0421","","","0.1086","0.1131","","","","","","1.217","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211873","11.542","0.002","13.199","0.003","13.687","0.003","115.5","0.03","91.29","0.03","115.05","0.03","1650.6","1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H23 O21 Pr3 -","- C28 H23 O21 Pr3 -","- C56 H46 O42 Pr6 -","2","1","","Wang, Zhuo; Xing, Yong-Heng; Wang, Chun-Guang; Sun, Li-Xian; Zhang, Jian; Ge, Mao-Fa; Niu, Shu-Yun","Synthesis, structure and luminescent properties of coordination polymers with 1,2-benzenedicarboxylic acid and a series of flexible dicarboxylate ligands","CrystEngComm","2010","12","3","762","","10.1039/b916127a","","","0.71073","MoKα","","0.0383","0.0303","","","0.0629","0.0657","","","","","","1.102","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211874","13.362","0.003","5.9634","0.0013","15.641","0.003","90","","93.626","0.003","90","","1243.8","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H12 Eu O8 -","- C11 H12 Eu O8 -","- C44 H48 Eu4 O32 -","4","1","","Wang, Zhuo; Xing, Yong-Heng; Wang, Chun-Guang; Sun, Li-Xian; Zhang, Jian; Ge, Mao-Fa; Niu, Shu-Yun","Synthesis, structure and luminescent properties of coordination polymers with 1,2-benzenedicarboxylic acid and a series of flexible dicarboxylate ligands","CrystEngComm","2010","12","3","762","","10.1039/b916127a","","","0.71073","MoKα","","0.0543","0.0355","","","0.0639","0.0698","","","","","","0.972","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211875","13.354","0.009","5.977","0.004","15.64","0.01","90","","93.532","0.009","90","","1246","1.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H12 O8 Sm -","- C11 H12 O8 Sm -","- C44 H48 O32 Sm4 -","4","1","","Wang, Zhuo; Xing, Yong-Heng; Wang, Chun-Guang; Sun, Li-Xian; Zhang, Jian; Ge, Mao-Fa; Niu, Shu-Yun","Synthesis, structure and luminescent properties of coordination polymers with 1,2-benzenedicarboxylic acid and a series of flexible dicarboxylate ligands","CrystEngComm","2010","12","3","762","","10.1039/b916127a","","","0.71073","MoKα","","0.0784","0.0586","","","0.1403","0.149","","","","","","1.067","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211876","6.2994","0.0013","8.9181","0.0018","12.448","0.003","77.22","0.03","78.95","0.03","71","0.03","639.4","0.3","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C22 H24 O16 Pr2 -","- C22 H24 O16 Pr2 -","- C22 H24 O16 Pr2 -","1","1","","Wang, Zhuo; Xing, Yong-Heng; Wang, Chun-Guang; Sun, Li-Xian; Zhang, Jian; Ge, Mao-Fa; Niu, Shu-Yun","Synthesis, structure and luminescent properties of coordination polymers with 1,2-benzenedicarboxylic acid and a series of flexible dicarboxylate ligands","CrystEngComm","2010","12","3","762","","10.1039/b916127a","","","0.71073","MoKα","","0.0229","0.0226","","","0.0577","0.058","","","","","","1.061","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211877","9.1071","0.0009","9.3366","0.0008","18.0884","0.0018","81.534","0.006","76.253","0.004","67.954","0.005","1381.9","0.2","120","2","120","2","","","","","","","","7","P 1","P 1","1","","","","- C37 H26 Cl2 Cr Na O12 S24 -","- C37 H26 Cl2 Cr Na O12 S24 -","- C37 H26 Cl2 Cr Na O12 S24 -","1","1","","Martin, Lee; Day, Peter; Nakatsuji, Shin'ichi; Yamada, Jun'ichi; Akutsu, Hiroki; Horton, Peter","A molecular charge transfer salt of BEDT-TTF containing a single enantiomer of tris(oxalato)chromate(III) crystallised from a chiral solvent","CrystEngComm","2010","12","5","1369","","10.1039/b916136h","","","0.71073","MoKα","","0.1426","0.1096","","","0.2306","0.2538","","","","","","1.109","","","","has coordinates,has disorder","180449","2020-10-21","18:00:00",""
"7211878","12.6078","0.0006","17.3931","0.0008","26.3525","0.0013","91.431","0.002","94.915","0.002","92.928","0.002","5747.5","0.5","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C138 H120 Cr8 Na18 O120 S72 -","- C138 H120 Cr8 Na18 O120 S72 -","- C138 H120 Cr8 Na18 O120 S72 -","1","0.5","","Martin, Lee; Day, Peter; Nakatsuji, Shin'ichi; Yamada, Jun'ichi; Akutsu, Hiroki; Horton, Peter","A molecular charge transfer salt of BEDT-TTF containing a single enantiomer of tris(oxalato)chromate(III) crystallised from a chiral solvent","CrystEngComm","2010","12","5","1369","","10.1039/b916136h","","","0.71073","MoKα","","0.1848","0.0827","","","0.1769","0.2192","","","","","","1.023","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211879","5.1889","0.0016","6.1177","0.0019","16.787","0.005","90","","97.195","0.012","90","","528.7","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Caesium nonafluorobutylsulfonate","","- C4 Cs F9 O3 S -","- C4 Cs F9 O3 S -","- C8 Cs2 F18 O6 S2 -","2","1","","Brüdgam, Irene; Lentz, Dieter; Vorbrüggen, Helmut","Synthesis, crystal and molecular structure of alkali metal nonaflates","CrystEngComm","2010","12","3","795","","10.1039/b916157k","","","0.71073","MoKα","","0.0276","0.0249","","","0.0589","0.0601","","","","","","1.067","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211880","5.0606","0.0009","5.553","0.001","16.997","0.003","83.233","0.004","86.532","0.004","87.185","0.004","473.02","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Potasium Nonafluorobutylsulfonate","","- C4 F9 K O3 S -","- C4 F9 K O3 S -","- C8 F18 K2 O6 S2 -","2","1","","Brüdgam, Irene; Lentz, Dieter; Vorbrüggen, Helmut","Synthesis, crystal and molecular structure of alkali metal nonaflates","CrystEngComm","2010","12","3","795","","10.1039/b916157k","","","0.71073","MoKα","","0.0406","0.03","","","0.0702","0.0751","","","","","","1.063","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211881","9.493","0.002","8.5886","0.0015","30.962","0.005","90","","95.036","0.019","90","","2514.6","0.8","173","2","173","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Potasium nonafluorobutylsulfonate acetonitril solvate","","- C6 H3 F9 K N O3 S -","- C6 H3 F9 K N O3 S -","- C48 H24 F72 K8 N8 O24 S8 -","8","1","","Brüdgam, Irene; Lentz, Dieter; Vorbrüggen, Helmut","Synthesis, crystal and molecular structure of alkali metal nonaflates","CrystEngComm","2010","12","3","795","","10.1039/b916157k","","","0.71073","MoKα","","0.0553","0.0437","","","0.1379","0.1489","","","","","","1.032","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211882","12.323","0.005","5.58","0.005","17.527","0.005","90","0.005","97.885","0.005","90","0.005","1193.8","1.2","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Lithium nonafluorobtylsulfonate","","- C6 H4 F9 Li O4 S -","- C6 H4 F9 Li O4 S -","- C24 H16 F36 Li4 O16 S4 -","4","1","","Brüdgam, Irene; Lentz, Dieter; Vorbrüggen, Helmut","Synthesis, crystal and molecular structure of alkali metal nonaflates","CrystEngComm","2010","12","3","795","","10.1039/b916157k","","","0.71069","MoKα","","0.0354","0.0273","","","0.0723","0.078","","","","","","1.038","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211883","17.165","0.005","5.634","0.005","11.085","0.005","90","0.005","100.122","0.005","90","0.005","1055.3","1.1","173","","173","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","Sodium Nonafluorobutylsulfonate hydrate","Sodium Nonafluorobutylsulfonate hydrate","","- C4 H2 F9 Na O4 S -","- C4 H2 F9 Na O4 S -","- C16 H8 F36 Na4 O16 S4 -","4","1","","Brüdgam, Irene; Lentz, Dieter; Vorbrüggen, Helmut","Synthesis, crystal and molecular structure of alkali metal nonaflates","CrystEngComm","2010","12","3","795","","10.1039/b916157k","","","0.71073","MoKα","","0.1689","0.0846","","","0.2173","0.2639","","","","","","0.976","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211884","5.0346","0.0018","5.8254","0.0019","33.361","0.016","90","","93.21","0.03","90","","976.9","0.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Rubidium nonafluorobutylsulfonate","","- C4 F9 O3 Rb S -","- C4 F9 O3 Rb S -","- C16 F36 O12 Rb4 S4 -","4","1","","Brüdgam, Irene; Lentz, Dieter; Vorbrüggen, Helmut","Synthesis, crystal and molecular structure of alkali metal nonaflates","CrystEngComm","2010","12","3","795","","10.1039/b916157k","","","0.71073","MoKα","","0.0889","0.0704","","","0.182","0.1893","","","","","","1.18","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211885","13.819","0.003","15.382","0.003","24.383","0.005","100.41","0.03","95.25","0.03","101.09","0.03","4959","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H60 Mn4 N4 O20 -","- C68 H53 Mn4 N4 O20 -","- C136 H106 Mn8 N8 O40 -","2","1","","Zhong, Rui-Qin; Zou, Ru-Qiang; Du, Miao; Yamada, Tetsuya; Maruta, Goro; Takeda, Sadamu; Li, Jing; Xu, Qiang","Metal‒organic frameworks of manganese(ii) 4,4′-biphenyldicarboxylates: crystal structures, hydrogen adsorption, and magnetism properties","CrystEngComm","2010","12","3","677","","10.1039/b916168f","","","0.71073","MoKα","","0.1071","0.0808","","","0.2439","0.2782","","","","","","1.04","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211886","13.958","0.003","18.507","0.004","12.351","0.003","90","","113.79","0.03","90","","2919.4","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H60 Mn3 N4 O16 -","- C58 H60 Mn3 N4 O16 -","- C116 H120 Mn6 N8 O32 -","2","0.5","","Zhong, Rui-Qin; Zou, Ru-Qiang; Du, Miao; Yamada, Tetsuya; Maruta, Goro; Takeda, Sadamu; Li, Jing; Xu, Qiang","Metal‒organic frameworks of manganese(ii) 4,4′-biphenyldicarboxylates: crystal structures, hydrogen adsorption, and magnetism properties","CrystEngComm","2010","12","3","677","","10.1039/b916168f","","","0.71073","MoKα","","0.0937","0.0843","","","0.1956","0.2003","","","","","","1.206","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211887","13.819","0.003","15.382","0.003","24.383","0.005","100.41","0.03","95.25","0.03","101.09","0.03","4959","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C65 H53 Mn4 N3 O19 -","- C65 H53 Mn4 N3 O19 -","- C130 H106 Mn8 N6 O38 -","2","1","","Zhong, Rui-Qin; Zou, Ru-Qiang; Du, Miao; Yamada, Tetsuya; Maruta, Goro; Takeda, Sadamu; Li, Jing; Xu, Qiang","Metal‒organic frameworks of manganese(ii) 4,4′-biphenyldicarboxylates: crystal structures, hydrogen adsorption, and magnetism properties","CrystEngComm","2010","12","3","677","","10.1039/b916168f","","","0.71073","MoKα","","0.0817","0.0635","","","0.1788","0.198","","","","","","0.981","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211889","10.488","0.004","10.212","0.004","11.273","0.004","90","","92.89","0.008","90","","1205.8","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C5 H5 Cd2 N9 S2 -","- C5 H5 Cd2 N9 S2 -","- C20 H20 Cd8 N36 S8 -","4","0.5","","Cheng, Jian-Kai; Zhang, Jian; Yin, Pei-Xiu; Lin, Qi-Pu; Li, Zhao-Ji; Yao, Yuan-Gen","Capturing in situ generated NHCH‒NNH molecule via the templating synthesis of a 4-connected open Cd(ii) framework","CrystEngComm","2010","12","4","1024","","10.1039/b916206b","","","0.71073","MoKα","","","0.0268","","","0.0601","0.0617","","","","","","1.081","","","","has coordinates,has disorder","180449","2020-10-21","18:00:00",""
"7211890","7.8282","0.0013","16.447","0.003","16.779","0.003","90","","95.137","0.003","90","","2151.6","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 N4 O7 Zn -","- C23 H20 N4 O7 Zn -","- C92 H80 N16 O28 Zn4 -","4","1","","Xu, Jiao; Pan, Zhaorui; Wang, Tianwei; Li, Yizhi; Guo, Zijian; Batten, Stuart R.; Zheng, Hegen","Syntheses, structures, photoluminescence and magnetic properties of five compounds with 1,3,5-benzenetricarboxylate acid and imidazole ligands","CrystEngComm","2010","12","2","612","","10.1039/b916222d","","","0.71073","MoKα","","0.0858","0.052","","","0.0972","0.1053","","","","","","1.004","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211891","10.666","0.002","16.748","0.003","14.201","0.003","90","","95.299","0.004","90","","2525.9","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 N6 O10 Zn2 -","- C24 H21 N6 O10 Zn2 -","- C96 H84 N24 O40 Zn8 -","4","1","","Xu, Jiao; Pan, Zhaorui; Wang, Tianwei; Li, Yizhi; Guo, Zijian; Batten, Stuart R.; Zheng, Hegen","Syntheses, structures, photoluminescence and magnetic properties of five compounds with 1,3,5-benzenetricarboxylate acid and imidazole ligands","CrystEngComm","2010","12","2","612","","10.1039/b916222d","","","0.71073","MoKα","","0.0754","0.0538","","","0.1541","0.1613","","","","","","1.037","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211892","9.1215","0.0014","20.539","0.003","13.621","0.002","90","","100.457","0.003","90","","2509.5","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H46 N8 O18 Zn3 -","- C54 H46 N8 O18 Zn3 -","- C108 H92 N16 O36 Zn6 -","2","0.5","","Xu, Jiao; Pan, Zhaorui; Wang, Tianwei; Li, Yizhi; Guo, Zijian; Batten, Stuart R.; Zheng, Hegen","Syntheses, structures, photoluminescence and magnetic properties of five compounds with 1,3,5-benzenetricarboxylate acid and imidazole ligands","CrystEngComm","2010","12","2","612","","10.1039/b916222d","","","0.71073","MoKα","","0.1074","0.0591","","","0.0941","0.1031","","","","","","1.008","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211893","9.0505","0.0011","20.457","0.002","13.5723","0.0016","90","","101.21","0.002","90","","2464.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H44 N8 Ni3 O17 -","- C54 H44 N8 Ni3 O17 -","- C108 H88 N16 Ni6 O34 -","2","0.5","","Xu, Jiao; Pan, Zhaorui; Wang, Tianwei; Li, Yizhi; Guo, Zijian; Batten, Stuart R.; Zheng, Hegen","Syntheses, structures, photoluminescence and magnetic properties of five compounds with 1,3,5-benzenetricarboxylate acid and imidazole ligands","CrystEngComm","2010","12","2","612","","10.1039/b916222d","","","0.71073","MoKα","","0.0889","0.0598","","","0.1298","0.1418","","","","","","1","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211894","8.9636","0.001","20.589","0.002","13.5194","0.0015","90","","99.469","0.002","90","","2461","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H38 Cu3 N8 O15 -","- C54 H38 Cu3 N8 O15 -","- C108 H76 Cu6 N16 O30 -","2","0.5","","Xu, Jiao; Pan, Zhaorui; Wang, Tianwei; Li, Yizhi; Guo, Zijian; Batten, Stuart R.; Zheng, Hegen","Syntheses, structures, photoluminescence and magnetic properties of five compounds with 1,3,5-benzenetricarboxylate acid and imidazole ligands","CrystEngComm","2010","12","2","612","","10.1039/b916222d","","","0.71073","MoKα","","0.1193","0.0624","","","0.083","0.0938","","","","","","0.95","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211895","9.8707","0.0004","12.7458","0.0007","21.8848","0.0012","88.967","0.002","85.654","0.0018","80.553","0.0019","2708.1","0.2","100.1","","100.1","","","","","","","","","5","P -1","-P 1","2","","","","- C52 H46 O12 Rb2 S8 -","- C52 H46 O12 Rb2 S8 -","- C104 H92 O24 Rb4 S16 -","2","1","","Yamada, Manabu; Shimakawa, Yoshifumi; Kondo, Yoshihiko; Hamada, Fumio","Thiacalix[4]arene‒rubidium assembly: supramolecular architecture based on alkali metal coordination and cation‒π interactions","CrystEngComm","2010","12","4","1311","","10.1039/b916317d","","","0.71075","MoKα","","","0.0281","","","","0.0975","","","","","","1.049","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211899","8.46","0.004","9.438","0.004","13.305","0.005","82.811","0.017","78.712","0.013","89.077","0.017","1033.6","0.8","98","2","98","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H46 N8 O6 S8 Zn2 -","- C30 H46 N8 O6 S8 Zn2 -","- C30 H46 N8 O6 S8 Zn2 -","1","0.5","","Poplaukhin, Pavel; Tiekink, Edward R. T.","Interwoven coordination polymers sustained by tautomeric forms of the bridging ligand","CrystEngComm","2010","12","4","1302","","10.1039/b916585a","","","0.7107","MoKα","","0.071","0.057","","","0.123","0.131","","","","","","1.09","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211900","9.7471","0.0014","16.151","0.002","13.21","0.002","90","","94.743","0.002","90","","2072.5","0.5","98","2","98","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H46 N8 O6 S8 Zn2 -","- C30 H46 N8 O6 S8 Zn2 -","- C60 H92 N16 O12 S16 Zn4 -","2","0.5","","Poplaukhin, Pavel; Tiekink, Edward R. T.","Interwoven coordination polymers sustained by tautomeric forms of the bridging ligand","CrystEngComm","2010","12","4","1302","","10.1039/b916585a","","","0.7107","MoKα","","0.048","0.046","","","0.117","0.12","","","","","","1.05","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211901","16.28","0.011","11.924","0.008","18.04","0.012","90","","103.862","0.008","90","","3400","4","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C8 H64 Mn3 Mo12 N8 O69 P8 -","- C8 H40 Mn3 Mo12 N8 O69 P8 -","- C16 H80 Mn6 Mo24 N16 O138 P16 -","2","0.5","","Hao, Zhaomin; Dong, Qingsong; Zhang, Ling; Zhang, Yi; Luo, Fang","Two organic‒inorganic hybrid frameworks with helical structures and large cavities constructed from poly(oxomolybdophosphates)","CrystEngComm","2010","12","3","977","","10.1039/b916687d","","","0.71073","MoKα","","0.0566","0.0387","","","0.0994","0.1085","","","","","","1.048","","","","has coordinates,has disorder","180450","2020-10-21","18:00:00",""
"7211902","14.9478","0.0009","25.2004","0.0015","26.7202","0.0013","90","","108.671","0.003","90","","9535.5","0.9","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C35 H83 Mn2 Mo12 N14 Na3 O69.5 P8 -","- C35 H56 Mn2 Mo12 N14 Na3 O69.4 P8 -","- C140 H224 Mn8 Mo48 N56 Na12 O277.6 P32 -","4","1","","Hao, Zhaomin; Dong, Qingsong; Zhang, Ling; Zhang, Yi; Luo, Fang","Two organic‒inorganic hybrid frameworks with helical structures and large cavities constructed from poly(oxomolybdophosphates)","CrystEngComm","2010","12","3","977","","10.1039/b916687d","","","0.71073","MoKα","","0.0784","0.0513","","","0.1332","0.1499","","","","","","1.017","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7211903","14.957","0.003","16.879","0.003","9.0167","0.0018","90","","115.94","0.03","90","","2047","0.9","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C12 H46 N8 O36 V10 -","- C12 H24 N8 O36 V10 -","- C24 H48 N16 O72 V20 -","2","0.25","","Yi, Zhihui; Yu, Xiaoyang; Xia, Wujiong; Zhao, Liyan; Yang, Chao; Chen, Qian; Wang, XiaoLin; Xu, Xianzhu; Zhang, Xiao","Influence of the steric hindrance of organic amines on the supramolecular network based on polyoxovanadates","CrystEngComm","2010","12","1","242","","10.1039/b916793p","","","0.71073","MoKα","","0.0396","0.0351","","","0.1039","0.1068","","","","","","1.084","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211904","12.6031","0.0009","12.6031","0.0009","22.563","0.003","90","","90","","120","","3103.7","0.5","293","2","293","2","","","","","","","","7","P 63/m","-P 6c","176","","","","- C18 H66 Cl N12 Ni2 O38 V15 -","- C18 H60 Cl N12 Ni2 O38 V15 -","- C36 H120 Cl2 N24 Ni4 O76 V30 -","2","0.166667","","Yi, Zhihui; Yu, Xiaoyang; Xia, Wujiong; Zhao, Liyan; Yang, Chao; Chen, Qian; Wang, XiaoLin; Xu, Xianzhu; Zhang, Xiao","Influence of the steric hindrance of organic amines on the supramolecular network based on polyoxovanadates","CrystEngComm","2010","12","1","242","","10.1039/b916793p","","","0.71073","MoKα","","0.0706","0.0678","","","0.2038","0.207","","","","","","1.075","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211905","12.12","0.0017","12.12","0.0017","22.053","0.004","90","","90","","120","","2805.5","0.8","293","2","293","2","","","","","","","","7","P 63/m m c","-P 6c 2c","194","","","","- C12 H54 Cl Co2 N12 O38 V15 -","- C12 Cl Co2 N12 O38 V15 -","- C24 Cl2 Co4 N24 O76 V30 -","2","0.0833333","","Yi, Zhihui; Yu, Xiaoyang; Xia, Wujiong; Zhao, Liyan; Yang, Chao; Chen, Qian; Wang, XiaoLin; Xu, Xianzhu; Zhang, Xiao","Influence of the steric hindrance of organic amines on the supramolecular network based on polyoxovanadates","CrystEngComm","2010","12","1","242","","10.1039/b916793p","","","0.71073","MoKα","","0.0877","0.0788","","","0.23","0.2403","","","","","","1.055","","","","has coordinates,has disorder","180450","2020-10-21","18:00:00",""
"7211906","13.0632","0.0002","17.6269","0.0003","16.0409","0.0002","90","","96.061","0.002","90","","3672.99","0.1","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C39 H34 Ag F3 N2 O4 P2 S -","- C39 H34 Ag F3 N2 O4 P2 S -","- C156 H136 Ag4 F12 N8 O16 P8 S4 -","4","1","","Wang, Xiaobing; Feng, Jingzhi; Huang, Jing; Zhang, Jianyong; Pan, Mei; Su, Cheng-Yong","A 2D Ag(I) layered coordination polymer based on pyridyl diphosphine: structure and selective sorption properties via weak C‒H⋯F/O interactions","CrystEngComm","2010","12","3","725","","10.1039/b916921k","","","1.54178","CuKα","","0.0982","0.067","","","0.1679","0.18","","","","","","1.081","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211907","14.7024","0.001","17.0783","0.0012","13.9048","0.0015","90","","117.472","0.001","90","","3097.7","0.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","cadmium imidazolate","","","- C12 H15 Cd1.5 N6 -","- C12 H11 Cd1.5 N6 -","- C96 H88 Cd12 N48 -","8","1","","Yao, Shi-Yan; Tian, Yun-Qi","An exceptional self-penetrating 4-connected network derived from a (3,4)-connected net of tfa-c topology","CrystEngComm","2010","12","3","697","","10.1039/b916978d","","","0.71073","MoKα","","0.0326","0.0289","","","0.0744","0.0766","","","","","","1.043","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211908","8.2087","0.0007","14.9912","0.0013","21.9789","0.0019","90","","94.702","0.001","90","","2695.6","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H20 N3 O9 Zn2 -","- C31 H18 N3 O8.5 Zn2 -","- C124 H72 N12 O34 Zn8 -","4","1","","Jia, Juan; Shao, Min; Jia, Tiantian; Zhu, Shourong; Zhao, Yongmei; Xing, Feifei; Li, Mingxing","Coordination polymers of biphenyl-2,4,2′,4′-tetracarboxylic acid—synthesis, structures and adsorption properties","CrystEngComm","2010","12","5","1548","","10.1039/b916984a","","","0.71073","MoKα","","0.0461","0.0355","","","0.0959","0.102","","","","","","1.068","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211909","9.0122","0.0009","17.3729","0.0018","15.2421","0.0015","90","","98.684","0.001","90","","2359.1","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 N2 O9 Zn -","- C26 H18 N2 O9 Zn -","- C104 H72 N8 O36 Zn4 -","4","1","","Jia, Juan; Shao, Min; Jia, Tiantian; Zhu, Shourong; Zhao, Yongmei; Xing, Feifei; Li, Mingxing","Coordination polymers of biphenyl-2,4,2′,4′-tetracarboxylic acid—synthesis, structures and adsorption properties","CrystEngComm","2010","12","5","1548","","10.1039/b916984a","","","0.71073","MoKα","","0.0789","0.046","","","0.0955","0.1103","","","","","","1.015","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211910","8.7902","0.0015","11.461","0.0019","12.866","0.002","85.175","0.002","72.094","0.002","69.382","0.002","1154","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H34 N4 O18 Zn3 -","- C52 H30 N4 O17 Zn3 -","- C52 H30 N4 O17 Zn3 -","1","0.5","","Jia, Juan; Shao, Min; Jia, Tiantian; Zhu, Shourong; Zhao, Yongmei; Xing, Feifei; Li, Mingxing","Coordination polymers of biphenyl-2,4,2′,4′-tetracarboxylic acid—synthesis, structures and adsorption properties","CrystEngComm","2010","12","5","1548","","10.1039/b916984a","","","0.71073","MoKα","","0.0797","0.0507","","","0.109","0.1262","","","","","","1.044","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211911","14.4039","0.0014","14.2659","0.0013","16.5825","0.0016","90","","111.712","0.001","90","","3165.7","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 N4 O9 Zn2 -","- C36 H24 N4 O9 Zn2 -","- C144 H96 N16 O36 Zn8 -","4","1","","Jia, Juan; Shao, Min; Jia, Tiantian; Zhu, Shourong; Zhao, Yongmei; Xing, Feifei; Li, Mingxing","Coordination polymers of biphenyl-2,4,2′,4′-tetracarboxylic acid—synthesis, structures and adsorption properties","CrystEngComm","2010","12","5","1548","","10.1039/b916984a","","","0.71073","MoKα","","0.0511","0.0338","","","0.0782","0.0869","","","","","","1.031","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211912","9.2298","0.0007","15.2279","0.0011","23.9952","0.0017","90","","94.94","0.001","90","","3360","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H26 Cd2 N4 O10 -","- C36 H24 Cd2 N4 O9.5 -","- C144 H96 Cd8 N16 O38 -","4","1","","Jia, Juan; Shao, Min; Jia, Tiantian; Zhu, Shourong; Zhao, Yongmei; Xing, Feifei; Li, Mingxing","Coordination polymers of biphenyl-2,4,2′,4′-tetracarboxylic acid—synthesis, structures and adsorption properties","CrystEngComm","2010","12","5","1548","","10.1039/b916984a","","","0.71073","MoKα","","0.0527","0.0378","","","0.0852","0.0929","","","","","","1.049","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211913","8.8527","0.0009","13.6187","0.0014","19.956","0.002","90","","101.433","0.001","90","","2358.2","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H16 N2 O9 Zn2 -","- C28 H16 N2 O9 Zn2 -","- C112 H64 N8 O36 Zn8 -","4","1","","Jia, Juan; Shao, Min; Jia, Tiantian; Zhu, Shourong; Zhao, Yongmei; Xing, Feifei; Li, Mingxing","Coordination polymers of biphenyl-2,4,2′,4′-tetracarboxylic acid—synthesis, structures and adsorption properties","CrystEngComm","2010","12","5","1548","","10.1039/b916984a","","","0.71073","MoKα","","0.04","0.0294","","","0.0715","0.0777","","","","","","1.012","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211914","9.0444","0.0017","16.46","0.003","12.074","0.002","90","","93.437","0.003","90","","1794.2","0.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H26 Co5 O24 -","- C32 H26 Co5 O24 -","- C64 H52 Co10 O48 -","2","0.5","","Jia, Juan; Shao, Min; Jia, Tiantian; Zhu, Shourong; Zhao, Yongmei; Xing, Feifei; Li, Mingxing","Coordination polymers of biphenyl-2,4,2′,4′-tetracarboxylic acid—synthesis, structures and adsorption properties","CrystEngComm","2010","12","5","1548","","10.1039/b916984a","","","0.71073","MoKα","","0.0901","0.0524","","","0.099","0.117","","","","","","1.038","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211915","8.6129","0.001","19.542","0.002","11.4698","0.0013","90","","90.564","0.001","90","","1930.4","0.4","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H36 Co5 O28 -","- C32 H34 Co5 O28 -","- C64 H68 Co10 O56 -","2","0.5","","Jia, Juan; Shao, Min; Jia, Tiantian; Zhu, Shourong; Zhao, Yongmei; Xing, Feifei; Li, Mingxing","Coordination polymers of biphenyl-2,4,2′,4′-tetracarboxylic acid—synthesis, structures and adsorption properties","CrystEngComm","2010","12","5","1548","","10.1039/b916984a","","","0.71073","MoKα","","0.0512","0.0366","","","0.062","0.0659","","","","","","0.905","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211920","16.0828","0.0009","6.8716","0.0003","24.8286","0.0014","90","","121.643","0.004","90","","2336","0.2","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C45 H48 N10 O13 -","- C45 H48 N10 O13 -","- C90 H96 N20 O26 -","2","0.5","","Goswami, Shyamaprosad; Hazra, Anita; Jana, Subrata; Fun, Hoong-Kun","Recognition study of substituted benzoic acids by 7-substituted pterin receptors in solution and solid phases","CrystEngComm","2010","12","5","1501","","10.1039/b917092h","","","0.71073","MoKα","","0.1181","0.0875","","","0.2372","0.2599","","","","","","1.051","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211921","6.9162","0.0003","22.0035","0.0009","14.3569","0.0005","90","","90.319","0.002","90","","2184.81","0.15","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H25 N5 O7 -","- C21 H25 N5 O7 -","- C84 H100 N20 O28 -","4","1","","Goswami, Shyamaprosad; Hazra, Anita; Jana, Subrata; Fun, Hoong-Kun","Recognition study of substituted benzoic acids by 7-substituted pterin receptors in solution and solid phases","CrystEngComm","2010","12","5","1501","","10.1039/b917092h","","","0.71073","MoKα","","0.1143","0.0823","","","0.2113","0.2302","","","","","","1.063","","","","has coordinates,has disorder","180450","2020-10-21","18:00:00",""
"7211922","8.4059","0.0003","11.7146","0.0004","11.8703","0.0004","92.873","0.002","92.647","0.002","104.299","0.002","1129.18","0.07","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C21 H24 N6 O8 -","- C21 H24 N6 O8 -","- C42 H48 N12 O16 -","2","1","","Goswami, Shyamaprosad; Hazra, Anita; Jana, Subrata; Fun, Hoong-Kun","Recognition study of substituted benzoic acids by 7-substituted pterin receptors in solution and solid phases","CrystEngComm","2010","12","5","1501","","10.1039/b917092h","","","0.71073","MoKα","","0.0509","0.0397","","","0.1068","0.1195","","","","","","1.058","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211923","5.1868","0.0003","11.4095","0.0006","12.8769","0.0007","86.36","0.001","89.309","0.001","77.171","0.001","741.52","0.07","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C8 H21 Cl2 N O Pd S2 -","- C8 H21 Cl2 N O Pd S2 -","- C16 H42 Cl4 N2 O2 Pd2 S4 -","2","1","","Bai, Shi-Qiang; Quek, Gabriel Y. H.; Koh, Lip Lin; Andy Hor, T. S.","Crystallographic analysis of different water‒halide cluster blends in cationic [(SNS)PdII] pincer complexes","CrystEngComm","2010","12","1","226","","10.1039/b917189b","","","0.71073","MoKα","","0.0229","0.0211","","","0.0497","0.0505","","","","","","1.046","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211924","31.9875","0.0016","8.9087","0.0004","14.1037","0.0007","90","","97.911","0.001","90","","3980.8","0.3","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H30 Cl2 N O1.5 Pd S2 -","- C12 H30 Cl2 N O1.5 Pd S2 -","- C96 H240 Cl16 N8 O12 Pd8 S16 -","8","1","","Bai, Shi-Qiang; Quek, Gabriel Y. H.; Koh, Lip Lin; Andy Hor, T. S.","Crystallographic analysis of different water‒halide cluster blends in cationic [(SNS)PdII] pincer complexes","CrystEngComm","2010","12","1","226","","10.1039/b917189b","","","0.71073","MoKα","","0.0354","0.0305","","","0.0752","0.0776","","","","","","1.037","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211925","34.835","0.003","5.1827","0.0005","25.391","0.002","90","","107.19","0.002","90","","4379.3","0.7","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H35 Cl2 N O2 Pd S2 -","- C16 H31 Cl2 N O2 Pd S2 -","- C128 H248 Cl16 N8 O16 Pd8 S16 -","8","1","","Bai, Shi-Qiang; Quek, Gabriel Y. H.; Koh, Lip Lin; Andy Hor, T. S.","Crystallographic analysis of different water‒halide cluster blends in cationic [(SNS)PdII] pincer complexes","CrystEngComm","2010","12","1","226","","10.1039/b917189b","","","0.71073","MoKα","","0.0692","0.0556","","","0.1195","0.1252","","","","","","1.144","","","","has coordinates,has disorder","180450","2020-10-21","18:00:00",""
"7211926","5.4127","0.0004","13.6387","0.001","15.2316","0.0012","67.588","0.001","85.211","0.002","80.964","0.002","1026.25","0.13","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H31 Br2 N O2 Pd S2 -","- C12 H31 Br2 N O2 Pd S2 -","- C24 H62 Br4 N2 O4 Pd2 S4 -","2","1","","Bai, Shi-Qiang; Quek, Gabriel Y. H.; Koh, Lip Lin; Andy Hor, T. S.","Crystallographic analysis of different water‒halide cluster blends in cationic [(SNS)PdII] pincer complexes","CrystEngComm","2010","12","1","226","","10.1039/b917189b","","","0.71073","MoKα","","0.0481","0.0426","","","0.1129","0.1163","","","","","","1.052","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211927","5.7601","0.0004","11.4786","0.0007","15.2346","0.001","70.574","0.001","85.423","0.001","77.631","0.001","927.85","0.11","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H27 Cl N2 O3 Pd S2 -","- C12 H27 Cl N2 O3 Pd S2 -","- C24 H54 Cl2 N4 O6 Pd2 S4 -","2","1","","Bai, Shi-Qiang; Quek, Gabriel Y. H.; Koh, Lip Lin; Andy Hor, T. S.","Crystallographic analysis of different water‒halide cluster blends in cationic [(SNS)PdII] pincer complexes","CrystEngComm","2010","12","1","226","","10.1039/b917189b","","","0.71073","MoKα","","0.062","0.0513","","","0.1097","0.1141","","","","","","1.143","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211928","8.7148","0.0003","11.4826","0.0003","16.9691","0.0005","81.721","0.002","81.814","0.002","77.987","0.002","1632.45","0.09","120","2","120","2","","","","","","","","4","P -1","-P 1","2","Suberic acid & imidazole","Suberic acid & imidazole","","- C30 H50 N4 O12 -","- C30 H50 N4 O12 -","- C60 H100 N8 O24 -","2","1","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","A systematic study of the crystallisation products of a series of dicarboxylic acids with imidazole derivatives","CrystEngComm","2010","12","3","898","","10.1039/b917191f","","","0.71073","MoKα","","0.0908","0.0523","","","0.1232","0.1421","","","","","","1.032","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211929","8.1285","0.0006","9.1297","0.0007","13.7387","0.0011","89.781","0.004","89.17","0.004","79.782","0.005","1003.28","0.13","120","2","120","2","","","","","","","","4","P -1","-P 1","2","Glutaric Acid and 1-Methylimidazole","Glutaric Acid and 1-Methylimidazole","","- C18 H28 N4 O8 -","- C18 H28 N4 O8 -","- C36 H56 N8 O16 -","2","1","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","A systematic study of the crystallisation products of a series of dicarboxylic acids with imidazole derivatives","CrystEngComm","2010","12","3","898","","10.1039/b917191f","","","0.71073","MoKα","","0.1001","0.07","","","0.1521","0.1682","","","","","","0.985","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211930","3.9015","0.0002","17.3293","0.001","13.8628","0.0007","90","","96.299","0.003","90","","931.61","0.09","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Succinic acid & 4-methylimidazole","Succinic acid & 4-methylimidazole","","- C8 H12 N2 O4 -","- C8 H12 N2 O4 -","- C32 H48 N8 O16 -","4","1","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","A systematic study of the crystallisation products of a series of dicarboxylic acids with imidazole derivatives","CrystEngComm","2010","12","3","898","","10.1039/b917191f","","","0.71073","MoKα","","0.0744","0.049","","","0.1057","0.1169","","","","","","1.022","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211931","5.38","0.0003","8.1542","0.0006","12.6592","0.001","78.35","0.004","82.962","0.004","84.496","0.004","538.37","0.07","120","2","120","2","","","","","","","","4","P -1","-P 1","2","Glutaric acid & 2-methylimidazole","Glutaric acid & 2-methylimidazole","","- C9 H14 N2 O4 -","- C9 H14 N2 O4 -","- C18 H28 N4 O8 -","2","1","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","A systematic study of the crystallisation products of a series of dicarboxylic acids with imidazole derivatives","CrystEngComm","2010","12","3","898","","10.1039/b917191f","","","0.71073","MoKα","","0.1262","0.0851","","","0.138","0.1543","","","","","","1.06","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211932","4.8629","0.0003","7.9978","0.0005","16.5263","0.0011","96.951","0.001","94.475","0.001","107.384","0.001","604.44","0.07","120","2","120","2","","","","","","","","4","P -1","-P 1","2","Adipic Acid and 2-Methylimidazole","Adipic Acid and 2-Methylimidazole","","- C10 H18 N2 O5 -","- C10 H18 N2 O5 -","- C20 H36 N4 O10 -","2","1","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","A systematic study of the crystallisation products of a series of dicarboxylic acids with imidazole derivatives","CrystEngComm","2010","12","3","898","","10.1039/b917191f","","","0.671","synchrotron","","0.0578","0.052","","","0.145","0.1518","","","","","","1.047","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211933","8.1472","0.0007","6.4965","0.0005","9.0107","0.0005","90","","97.401","0.004","90","","472.95","0.06","120","2","120","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","Succinic Acid and 2-Methylimidazole","Succinic Acid and 2-Methylimidazole","","- C8 H12 N2 O4 -","- C8 H12 N2 O4 -","- C16 H24 N4 O8 -","2","0.5","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","A systematic study of the crystallisation products of a series of dicarboxylic acids with imidazole derivatives","CrystEngComm","2010","12","3","898","","10.1039/b917191f","","","0.71073","MoKα","","0.0687","0.048","","","0.099","0.1076","","","","","","1.092","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211934","8.0829","0.0005","6.2852","0.0004","9.0979","0.0006","90","","97.551","0.004","90","","458.19","0.05","120","2","120","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","fumaric acid & 2-methylimidazole","fumaric acid & 2-methylimidazole","","- C8 H10 N2 O4 -","- C8 H10 N2 O4 -","- C16 H20 N4 O8 -","2","0.5","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","A systematic study of the crystallisation products of a series of dicarboxylic acids with imidazole derivatives","CrystEngComm","2010","12","3","898","","10.1039/b917191f","","","0.71073","MoKα","","0.1049","0.0689","","","0.1392","0.1575","","","","","","1.069","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211935","7.3683","0.0004","9.0497","0.0003","10.7486","0.0005","76.546","0.003","80.396","0.002","76.933","0.003","674.05","0.05","120","2","120","2","","","","","","","","4","P -1","-P 1","2","Suberic acid & 2-methylimidazole","Suberic acid & 2-methylimidazole","","- C12 H20 N2 O4 -","- C12 H20 N2 O4 -","- C24 H40 N4 O8 -","2","1","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","A systematic study of the crystallisation products of a series of dicarboxylic acids with imidazole derivatives","CrystEngComm","2010","12","3","898","","10.1039/b917191f","","","0.71073","MoKα","","0.1074","0.0574","","","0.1098","0.1281","","","","","","1.035","","","","has coordinates,has disorder","180450","2020-10-21","18:00:00",""
"7211936","7.648","0.0007","11.673","0.0009","11.204","0.0011","90","","93.547","0.004","90","","998.32","0.15","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Fumaric acid and 1,2-dimethylimidazole","Fumaric acid and 1,2-dimethylimidazole","","- C9 H12 N2 O4 -","- C9 H12 N2 O4 -","- C36 H48 N8 O16 -","4","1","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","A systematic study of the crystallisation products of a series of dicarboxylic acids with imidazole derivatives","CrystEngComm","2010","12","3","898","","10.1039/b917191f","","","0.71073","MoKα","","0.1343","0.0845","","","0.1424","0.1631","","","","","","1.142","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211937","8.8691","0.0007","13.2988","0.0017","12.125","0.0014","90","","109.5","0.007","90","","1348.1","0.3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Suberic acid & 4-methylimidazole","Suberic acid & 4-methylimidazole","","- C12 H20 N2 O4 -","- C12 H20 N2 O4 -","- C48 H80 N8 O16 -","4","1","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","A systematic study of the crystallisation products of a series of dicarboxylic acids with imidazole derivatives","CrystEngComm","2010","12","3","898","","10.1039/b917191f","","","0.71073","MoKα","","0.154","0.0933","","","0.1154","0.1316","","","","","","1.111","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211938","7.536","0.0004","14.218","0.0008","9.716","0.0006","90","","96.571","0.003","90","","1034.2","0.1","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","Glutaric Acid & 4-Methylimidazole","Glutaric Acid & 4-Methylimidazole","","- C9 H14 N2 O4 -","- C9 H14 N2 O4 -","- C36 H56 N8 O16 -","4","2","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","A systematic study of the crystallisation products of a series of dicarboxylic acids with imidazole derivatives","CrystEngComm","2010","12","3","898","","10.1039/b917191f","","","0.71073","MoKα","","0.098","0.0559","","","0.0977","0.1108","","","","","","1.038","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211939","20.5769","0.0012","7.3521","0.0004","14.0383","0.0008","90","","90","","90","","2123.8","0.2","120","2","120","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","Succinic acid & 1,2-dimethylimidazole","Succinic acid & 1,2-dimethylimidazole","","- C9 H14 N2 O4 -","- C9 H14 N2 O4 -","- C72 H112 N16 O32 -","8","1","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","A systematic study of the crystallisation products of a series of dicarboxylic acids with imidazole derivatives","CrystEngComm","2010","12","3","898","","10.1039/b917191f","","","0.71073","MoKα","","0.1161","0.0685","","","0.1383","0.1561","","","","","","1.107","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211940","10.4056","0.0016","22.888","0.004","4.6392","0.0009","90","","90","","90","","1104.9","0.3","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","Glutaric acid & 1,2-dimethylimidazole","Glutaric acid & 1,2-dimethylimidazole","","- C10 H16 N2 O4 -","- C10 H16 N2 O4 -","- C40 H64 N8 O16 -","4","1","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","A systematic study of the crystallisation products of a series of dicarboxylic acids with imidazole derivatives","CrystEngComm","2010","12","3","898","","10.1039/b917191f","","","0.71073","MoKα","","0.1159","0.0748","","","0.1862","0.2082","","","","","","1.081","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211941","6.4624","0.0004","18.8186","0.001","7.1493","0.0005","90","","98.878","0.004","90","","859.03","0.09","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Methyloxalate & 1-methylimidazolium","Methyloxalate & 1-methylimidazolium","","- C7 H10 N2 O4 -","- C7 H10 N2 O4 -","- C28 H40 N8 O16 -","4","1","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","A systematic study of the crystallisation products of a series of dicarboxylic acids with imidazole derivatives","CrystEngComm","2010","12","3","898","","10.1039/b917191f","","","0.71073","MoKα","","0.1145","0.0609","","","0.1067","0.123","","","","","","1.044","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211942","13.3293","0.0019","13.1137","0.0016","14.023","0.002","90","","90","","90","","2451.2","0.6","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Oxalic acid & 2-methylimidazole","Oxalic acid & 2-methylimidazole","","- C10 H14 N4 O4 -","- C10 H14 N4 O4 -","- C80 H112 N32 O32 -","8","1","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","A systematic study of the crystallisation products of a series of dicarboxylic acids with imidazole derivatives","CrystEngComm","2010","12","3","898","","10.1039/b917191f","","","0.71073","MoKα","","0.1189","0.0906","","","0.1593","0.1693","","","","","","1.244","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211943","9.1937","0.0006","13.5734","0.0006","10.5047","0.0005","90","","99.252","0.004","90","","1293.83","0.12","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Oxalic acid & 4-methylimidazole hydrate","Oxalic acid & 4-methylimidazole hydrate","","- C10 H16 N4 O5 -","- C10 H16 N4 O5 -","- C40 H64 N16 O20 -","4","0.5","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","A systematic study of the crystallisation products of a series of dicarboxylic acids with imidazole derivatives","CrystEngComm","2010","12","3","898","","10.1039/b917191f","","","0.71073","MoKα","","0.0664","0.0485","","","0.1051","0.1131","","","","","","1.072","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211944","6.998","0.0003","8.379","0.0003","9.25","0.0003","116.302","0.002","101.825","0.002","91.149","0.002","472.1","0.03","120","2","120","2","","","","","","","","4","P -1","-P 1","2","Malonic acid & imidazole","Malonic acid & imidazole","","- C15 H20 N6 O8 -","- C15 H20 N6 O8 -","- C15 H20 N6 O8 -","1","0.5","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","A systematic study of the crystallisation products of a series of dicarboxylic acids with imidazole derivatives","CrystEngComm","2010","12","3","898","","10.1039/b917191f","","","0.71073","MoKα","","0.0615","0.0433","","","0.0972","0.1081","","","","","","1.022","","","","has coordinates,has disorder","180450","2020-10-21","18:00:00",""
"7211945","11.4966","0.0019","18.702","0.003","3.9535","0.0005","90","","90","","90","","850","0.2","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","Malonic Acid and 2-Methylimidazole","Malonic Acid and 2-Methylimidazole","","- C7 H10 N2 O4 -","- C7 H10 N2 O4 -","- C28 H40 N8 O16 -","4","1","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","A systematic study of the crystallisation products of a series of dicarboxylic acids with imidazole derivatives","CrystEngComm","2010","12","3","898","","10.1039/b917191f","","","0.71073","MoKα","","0.1277","0.0802","","","0.1212","0.1429","","","","","","1.163","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211946","5.5883","0.0002","22.5838","0.0012","7.3581","0.0004","90","","98.578","0.003","90","","918.24","0.08","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Maleic Acid & 4-Methylimidazole","Maleic Acid & 4-Methylimidazole","","- C8 H10 N2 O4 -","- C8 H10 N2 O4 -","- C32 H40 N8 O16 -","4","1","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","A systematic study of the crystallisation products of a series of dicarboxylic acids with imidazole derivatives","CrystEngComm","2010","12","3","898","","10.1039/b917191f","","","0.71073","MoKα","","0.0854","0.0519","","","0.1248","0.1421","","","","","","1.045","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211947","9.6409","0.0003","9.8099","0.0003","12.6275","0.0004","73.631","0.001","70.339","0.001","85.599","0.002","1078.83","0.06","150","2","150","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C24 H19 I2 P -","- C24 H19 I2 P -","- C48 H38 I4 P2 -","2","1","","Barnes, Nicholas A.; Flower, Kevin R.; Fyyaz, Saad A.; Godfrey, Stephen M.; McGown, Alan T.; Miles, Philip J.; Pritchard, Robin G.; Warren, John E.","Can the solid state structures of the dihalogen adducts R3EX2 (E = P, As; R = alkyl, aryl; X = Br, I) with the molecular spoke geometry be considered good mimics of the gold(i) systems [(R3E)AuX] (E = As, P; R = alkyl, aryl; X = Cl, Br, I)?","CrystEngComm","2010","12","3","784","","10.1039/b917245a","","x-ray","0.71073","MoKα","","0.111","0.0741","","","0.149","0.1723","","","","","","1.088","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211948","9.9636","0.0009","21.5367","0.0019","9.9994","0.0009","90","","111.504","0.001","90","","1996.3","0.3","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H19 Au Cl P -","- C24 H19 Au Cl P -","- C96 H76 Au4 Cl4 P4 -","4","1","","Barnes, Nicholas A.; Flower, Kevin R.; Fyyaz, Saad A.; Godfrey, Stephen M.; McGown, Alan T.; Miles, Philip J.; Pritchard, Robin G.; Warren, John E.","Can the solid state structures of the dihalogen adducts R3EX2 (E = P, As; R = alkyl, aryl; X = Br, I) with the molecular spoke geometry be considered good mimics of the gold(i) systems [(R3E)AuX] (E = As, P; R = alkyl, aryl; X = Cl, Br, I)?","CrystEngComm","2010","12","3","784","","10.1039/b917245a","","x-ray","0.6939","synchrotron","","0.0343","0.0315","","","0.0754","0.0771","","","","","","1.027","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211949","9.5352","0.0006","9.8668","0.0006","12.0877","0.0008","73.228","0.004","73.548","0.003","87.343","0.003","1043.5","0.12","233","2","233","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C24 H19 Au Br P -","- C24 H19 Au Br P -","- C48 H38 Au2 Br2 P2 -","2","1","","Barnes, Nicholas A.; Flower, Kevin R.; Fyyaz, Saad A.; Godfrey, Stephen M.; McGown, Alan T.; Miles, Philip J.; Pritchard, Robin G.; Warren, John E.","Can the solid state structures of the dihalogen adducts R3EX2 (E = P, As; R = alkyl, aryl; X = Br, I) with the molecular spoke geometry be considered good mimics of the gold(i) systems [(R3E)AuX] (E = As, P; R = alkyl, aryl; X = Cl, Br, I)?","CrystEngComm","2010","12","3","784","","10.1039/b917245a","","x-ray","0.71073","MoKα","","0.0828","0.0626","","","0.146","0.1663","","","","","","1.055","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211950","9.5207","0.0003","9.85","0.0004","12.1301","0.0004","74.346","0.002","74.294","0.002","87.987","0.002","1053.57","0.07","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C24 H19 Au I P -","- C24 H19 Au I P -","- C48 H38 Au2 I2 P2 -","2","1","","Barnes, Nicholas A.; Flower, Kevin R.; Fyyaz, Saad A.; Godfrey, Stephen M.; McGown, Alan T.; Miles, Philip J.; Pritchard, Robin G.; Warren, John E.","Can the solid state structures of the dihalogen adducts R3EX2 (E = P, As; R = alkyl, aryl; X = Br, I) with the molecular spoke geometry be considered good mimics of the gold(i) systems [(R3E)AuX] (E = As, P; R = alkyl, aryl; X = Cl, Br, I)?","CrystEngComm","2010","12","3","784","","10.1039/b917245a","","x-ray","0.71073","MoKα","","0.0978","0.0656","","","0.1423","0.1643","","","","","","1.189","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211951","9.1631","0.0003","23.755","0.0009","10.2226","0.0004","90","","108.494","0.002","90","","2110.23","0.14","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 Au O P -","- C25 H22 Au O P -","- C100 H88 Au4 O4 P4 -","4","1","","Barnes, Nicholas A.; Flower, Kevin R.; Fyyaz, Saad A.; Godfrey, Stephen M.; McGown, Alan T.; Miles, Philip J.; Pritchard, Robin G.; Warren, John E.","Can the solid state structures of the dihalogen adducts R3EX2 (E = P, As; R = alkyl, aryl; X = Br, I) with the molecular spoke geometry be considered good mimics of the gold(i) systems [(R3E)AuX] (E = As, P; R = alkyl, aryl; X = Cl, Br, I)?","CrystEngComm","2010","12","3","784","","10.1039/b917245a","","x-ray","0.71073","MoKα","","0.1815","0.0773","","","0.1485","0.186","","","","","","1.083","","","","has coordinates,has disorder","180450","2020-10-21","18:00:00",""
"7211952","9.0116","0.0001","18.168","0.0003","28.8665","0.0005","90","","90","","90","","4726.1","0.12","150","2","150","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C29 H24 Au O P -","- C29 H24 Au O P -","- C232 H192 Au8 O8 P8 -","8","1","","Barnes, Nicholas A.; Flower, Kevin R.; Fyyaz, Saad A.; Godfrey, Stephen M.; McGown, Alan T.; Miles, Philip J.; Pritchard, Robin G.; Warren, John E.","Can the solid state structures of the dihalogen adducts R3EX2 (E = P, As; R = alkyl, aryl; X = Br, I) with the molecular spoke geometry be considered good mimics of the gold(i) systems [(R3E)AuX] (E = As, P; R = alkyl, aryl; X = Cl, Br, I)?","CrystEngComm","2010","12","3","784","","10.1039/b917245a","","x-ray","0.71073","MoKα","","0.1257","0.0737","","","0.1497","0.1794","","","","","","1.26","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211953","13.2366","0.0013","7.1753","0.0006","12.769","0.0012","90","","117.344","0.002","90","","1077.25","0.17","291","2","291","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C8 H2 Cd3 O10 -","- C8 H2 Cd3 O10 -","- C32 H8 Cd12 O40 -","4","0.5","","Zheng, Bo; Bai, Junfeng; Zhang, Zhuxiu","pH-Controlled change of the coordination modes of the highly symmetrical multitopic ligand and metal‒oxygen arrays for constructing coordination assemblies","CrystEngComm","2010","12","1","49","","10.1039/b917258k","","","0.71073","MoKα","","0.0233","0.0221","","","0.0586","0.0593","","","","","","1.063","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211954","6.8958","0.0003","5.8147","0.0003","15.8331","0.0008","90","","90","","90","","634.86","0.05","291","2","291","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C2 H Cd O3 -","- C2 H Cd O3 -","- C16 H8 Cd8 O24 -","8","1","","Zheng, Bo; Bai, Junfeng; Zhang, Zhuxiu","pH-Controlled change of the coordination modes of the highly symmetrical multitopic ligand and metal‒oxygen arrays for constructing coordination assemblies","CrystEngComm","2010","12","1","49","","10.1039/b917258k","","","0.71073","MoKα","","0.0251","0.02","","","0.0441","0.0447","","","","","","1.075","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211955","3.5793","0.0003","10.4878","0.0009","8.5834","0.0007","90","","99.551","0.001","90","","317.75","0.05","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H2 Cd2 O6 -","- C4 H2 Cd2 O6 -","- C8 H4 Cd4 O12 -","2","0.5","","Zheng, Bo; Bai, Junfeng; Zhang, Zhuxiu","pH-Controlled change of the coordination modes of the highly symmetrical multitopic ligand and metal‒oxygen arrays for constructing coordination assemblies","CrystEngComm","2010","12","1","49","","10.1039/b917258k","","","0.71073","MoKα","","0.0299","0.0275","","","0.0546","0.0561","","","","","","0.975","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211956","5.2629","0.0015","5.2629","0.0015","12.987","0.008","90","","90","","90","","359.7","0.3","291","2","291","2","","","","","","","","4","P 42/m c m","-P 4c 2c","132","","","","- C4 N4 Ni Zn -","- C4 N4 Ni Zn -","- C8 N8 Ni2 Zn2 -","2","0.125","","Yuan, Ai-Hua; Lu, Run-Qin; Zhou, Hu; Chen, Ying-Ying; Li, Yi-Zhi","Three unique two-fold interpenetrated three-dimensional networks with PtS-type topology constructed from [M(CN)4]2− (M = Ni, Pd, Pt) as “square-planar” building blocks","CrystEngComm","2010","12","5","1382","","10.1039/b917262a","","","0.71073","MoKα","","0.0904","0.0512","","","0.1238","0.1352","","","","","","1.08","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211957","5.3718","0.0003","5.3718","0.0003","13.4271","0.0017","90","","90","","90","","387.46","0.06","291","2","291","2","","","","","","","","4","P 42/m c m","-P 4c 2c","132","","","","- C4 N4 Pd Zn -","- C4 N4 Pd Zn -","- C8 N8 Pd2 Zn2 -","2","0.125","","Yuan, Ai-Hua; Lu, Run-Qin; Zhou, Hu; Chen, Ying-Ying; Li, Yi-Zhi","Three unique two-fold interpenetrated three-dimensional networks with PtS-type topology constructed from [M(CN)4]2− (M = Ni, Pd, Pt) as “square-planar” building blocks","CrystEngComm","2010","12","5","1382","","10.1039/b917262a","","","0.71073","MoKα","","0.0585","0.0469","","","0.1279","0.134","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211958","5.3592","0.0004","5.3592","0.0004","13.455","0.002","90","","90","","90","","386.44","0.07","291","2","291","2","","","","","","","","4","P 42/m c m","-P 4c 2c","132","","","","- C4 N4 Pt Zn -","- C4 N4 Pt Zn -","- C8 N8 Pt2 Zn2 -","2","0.125","","Yuan, Ai-Hua; Lu, Run-Qin; Zhou, Hu; Chen, Ying-Ying; Li, Yi-Zhi","Three unique two-fold interpenetrated three-dimensional networks with PtS-type topology constructed from [M(CN)4]2− (M = Ni, Pd, Pt) as “square-planar” building blocks","CrystEngComm","2010","12","5","1382","","10.1039/b917262a","","","0.71073","MoKα","","0.0326","0.0264","","","0.0856","0.0916","","","","","","1.057","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211959","17.998","0.016","9.697","0.008","18.903","0.017","90","","97.339","0.018","90","","3272","5","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H24 Cu2 N2 O8 -","- C32 H24 Cu2 N2 O8 -","- C128 H96 Cu8 N8 O32 -","4","0.5","","Takamizawa, Satoshi; Akatsuka, Takamasa; Miyake, Ryosuke","Switch of channel geometry by 1D component slide responding to slight structural stimuli of adsorbed guest","CrystEngComm","2010","12","1","82","","10.1039/b917263g","","","0.71073","MoKα","","0.0973","0.0688","","","0.1704","0.1869","","","","","","1.064","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211960","17.757","0.003","9.626","0.0016","10.805","0.0018","90","","95.603","0.004","90","","1838.1","0.5","90","","90","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C38 H36 Cu2 N2 O10 -","- C38 H36 Cu2 N2 O10 -","- C76 H72 Cu4 N4 O20 -","2","0.25","","Takamizawa, Satoshi; Akatsuka, Takamasa; Miyake, Ryosuke","Switch of channel geometry by 1D component slide responding to slight structural stimuli of adsorbed guest","CrystEngComm","2010","12","1","82","","10.1039/b917263g","","","0.71073","MoKα","","0.0834","0.0564","","","0.1282","0.1401","","","","","","1.089","","","","has coordinates,has disorder","180450","2020-10-21","18:00:00",""
"7211961","17.485","0.003","9.6876","0.0019","19.213","0.004","90","","98.432","0.004","90","","3219.3","1.1","90","","90","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H24 Cu2 N2 O8 -","- C32 H24 Cu2 N2 O8 -","- C128 H96 Cu8 N8 O32 -","4","0.5","","Takamizawa, Satoshi; Akatsuka, Takamasa; Miyake, Ryosuke","Switch of channel geometry by 1D component slide responding to slight structural stimuli of adsorbed guest","CrystEngComm","2010","12","1","82","","10.1039/b917263g","","","0.71073","MoKα","","0.0827","0.0589","","","0.1342","0.1462","","","","","","1.034","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211962","9.701","0.002","24.227","0.005","9.861","0.002","90","","111.821","0.004","90","","2151.5","0.8","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 Cd I3 N5 O4 -","- C14 H6 Cd I3 N5 O4 -","- C56 H24 Cd4 I12 N20 O16 -","4","1","","Dai, Fangna; He, Haiyan; Zhao, Xiaoliang; Ke, Yanxiong; Zhang, Guoqing; Sun, Daofeng","1D zigzag chain vs. 1D helical chain: the role of the supramolecular interactions on the formation of chiral architecture","CrystEngComm","2010","12","2","337","","10.1039/b917264p","","","0.71073","MoKα","","0.1435","0.1076","","","0.2895","0.315","","","","","","1.05","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211963","11.3689","0.0003","11.3689","0.0003","16.5658","0.0011","90","","90","","90","","2141.16","0.16","296","2","296","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C14 H12 Cd I3 N3 O5 -","- C14 H12 Cd I3 N3 O5 -","- C56 H48 Cd4 I12 N12 O20 -","4","0.5","","Dai, Fangna; He, Haiyan; Zhao, Xiaoliang; Ke, Yanxiong; Zhang, Guoqing; Sun, Daofeng","1D zigzag chain vs. 1D helical chain: the role of the supramolecular interactions on the formation of chiral architecture","CrystEngComm","2010","12","2","337","","10.1039/b917264p","","","0.71073","MoKα","","0.0518","0.0383","","","0.0986","0.1068","","","","","","1.053","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211964","7.6168","0.0002","15.2552","0.0005","52.3376","0.0016","90","","89.976","0.002","90","","6081.4","0.3","293","","150","","","","","","","","","4","P 1 n 1","P -2yac","7","Methyl 2-(9H-carbazol-9-yl)benzoate","","","- C20 H15 N O2 -","- C20 H15 N O2 -","- C320 H240 N16 O32 -","16","8","","Johnstone, Russell D. L.; Ieva, Maria; Lennie, Alistair R.; McNab, Hamish; Pidcock, Elna; Warren, John E.; Parsons, Simon","Pressure as a tool in crystal engineering: inducing a phase transition in a high-Z′ structure","CrystEngComm","2010","12","9","2520","","10.1039/b917290d","","","0.71073","MoKα","","0.0369","0.0365","","0.0242","0.0241","0.0241","","","","","","1.0526","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211965","7.6837","0.0002","15.5843","0.0006","52.1546","0.0016","90","","89.933","0.002","90","","6245.3","0.3","293","","293","","","","","","","","","4","P 1 n 1","P -2yac","7","Methyl 2-(9H-carbazol-9-yl)benzoate","","","- C20 H15 N O2 -","- C20 H15 N O2 -","- C320 H240 N16 O32 -","16","8","","Johnstone, Russell D. L.; Ieva, Maria; Lennie, Alistair R.; McNab, Hamish; Pidcock, Elna; Warren, John E.; Parsons, Simon","Pressure as a tool in crystal engineering: inducing a phase transition in a high-Z′ structure","CrystEngComm","2010","12","9","2520","","10.1039/b917290d","","","0.71073","MoKα","","0.0501","0.0455","","0.0417","0.0399","0.0399","","","","","","1.1069","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211966","7.3592","0.0007","14.601","0.002","51.188","0.009","90","","89.989","0.01","90","","5500.2","1.3","293","","293","","","","1500000","","","","","4","P 1 n 1","P -2yac","7","Methyl 2-(9H-carbazol-9-yl)benzoate","","","- C20 H15 N O2 -","- C20 H15 N O2 -","- C320 H240 N16 O32 -","16","8","","Johnstone, Russell D. L.; Ieva, Maria; Lennie, Alistair R.; McNab, Hamish; Pidcock, Elna; Warren, John E.; Parsons, Simon","Pressure as a tool in crystal engineering: inducing a phase transition in a high-Z′ structure","CrystEngComm","2010","12","9","2520","","10.1039/b917290d","","","0.4762","synchrotron","","0.1132","0.0858","","0.1309","0.0899","0.0899","","","","","","1.0111","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211967","7.2634","0.0003","14.412","0.0011","50.836","0.004","90","","89.966","0.005","90","","5321.5","0.6","293","","293","","","","2200000","","","","","4","P 1 n 1","P -2yac","7","Methyl 2-(9H-carbazol-9-yl)benzoate","","","- C20 H15 N O2 -","- C20 H15 N O2 -","- C320 H240 N16 O32 -","16","8","","Johnstone, Russell D. L.; Ieva, Maria; Lennie, Alistair R.; McNab, Hamish; Pidcock, Elna; Warren, John E.; Parsons, Simon","Pressure as a tool in crystal engineering: inducing a phase transition in a high-Z′ structure","CrystEngComm","2010","12","9","2520","","10.1039/b917290d","","","0.4762","synchrotron","","0.1072","0.0839","","0.1341","0.0918","0.0918","","","","","","1.062","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211968","7.1346","0.0006","14.165","0.002","50.433","0.008","90","","89.88","0.009","90","","5096.8","1.2","293","","293","","","","3700000","","","","","4","P 1 n 1","P -2yac","7","Methyl 2-(9H-carbazol-9-yl)benzoate","","","- C20 H15 N O2 -","- C20 H15 N O2 -","- C320 H240 N16 O32 -","16","8","","Johnstone, Russell D. L.; Ieva, Maria; Lennie, Alistair R.; McNab, Hamish; Pidcock, Elna; Warren, John E.; Parsons, Simon","Pressure as a tool in crystal engineering: inducing a phase transition in a high-Z′ structure","CrystEngComm","2010","12","9","2520","","10.1039/b917290d","","","0.4762","synchrotron","","0.1203","0.0839","","0.1336","0.089","0.089","","","","","","1.0078","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211969","7.0316","0.0006","14.0254","0.0019","50.157","0.008","90","","89.796","0.009","90","","4946.5","1.1","293","","293","","","","4900000","","","","","4","P 1 n 1","P -2yac","7","Methyl 2-(9H-carbazol-9-yl)benzoate","","","- C20 H15 N O2 -","- C20 H15 N O2 -","- C320 H240 N16 O32 -","16","8","","Johnstone, Russell D. L.; Ieva, Maria; Lennie, Alistair R.; McNab, Hamish; Pidcock, Elna; Warren, John E.; Parsons, Simon","Pressure as a tool in crystal engineering: inducing a phase transition in a high-Z′ structure","CrystEngComm","2010","12","9","2520","","10.1039/b917290d","","","0.4762","synchrotron","","0.0906","0.0767","","0.0901","0.0762","0.0762","","","","","","0.923","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211970","7.701","0.002","12.569","0.006","24.786","0.013","90","","90","","90","","2399.1","1.8","293","","293","","","","5300000","","","","","4","P 21 21 21","P 2ac 2ab","19","Methyl 2-(9H-carbazol-9-yl)benzoate","","","- C20 H15 N O2 -","- C20 H15 N O2 -","- C160 H120 N8 O16 -","8","2","","Johnstone, Russell D. L.; Ieva, Maria; Lennie, Alistair R.; McNab, Hamish; Pidcock, Elna; Warren, John E.; Parsons, Simon","Pressure as a tool in crystal engineering: inducing a phase transition in a high-Z′ structure","CrystEngComm","2010","12","9","2520","","10.1039/b917290d","","","0.4762","synchrotron","","0.0735","0.051","","0.1079","0.057","0.057","","","","","","1.0302","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211971","7.6475","0.0007","12.451","0.003","24.651","0.002","90","","90","","90","","2347.2","0.6","293","","293","","","","6000000","","","","","4","P 21 21 21","P 2ac 2ab","19","Methyl 2-(9H-carbazol-9-yl)benzoate","","","- C20 H15 N O2 -","- C20 H15 N O2 -","- C160 H120 N8 O16 -","8","2","","Johnstone, Russell D. L.; Ieva, Maria; Lennie, Alistair R.; McNab, Hamish; Pidcock, Elna; Warren, John E.; Parsons, Simon","Pressure as a tool in crystal engineering: inducing a phase transition in a high-Z′ structure","CrystEngComm","2010","12","9","2520","","10.1039/b917290d","","","0.4792","synchrotron","","0.0359","0.0277","","0.0277","0.0233","0.0233","","","","","","1.0753","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211972","7.6285","0.0008","12.299","0.003","24.555","0.003","90","","90","","90","","2303.8","0.7","293","","293","","","","6800000","","","","","4","P 21 21 21","P 2ac 2ab","19","Methyl 2-(9H-carbazol-9-yl)benzoate","","","- C20 H15 N O2 -","- C20 H15 N O2 -","- C160 H120 N8 O16 -","8","2","","Johnstone, Russell D. L.; Ieva, Maria; Lennie, Alistair R.; McNab, Hamish; Pidcock, Elna; Warren, John E.; Parsons, Simon","Pressure as a tool in crystal engineering: inducing a phase transition in a high-Z′ structure","CrystEngComm","2010","12","9","2520","","10.1039/b917290d","","","0.4792","synchrotron","","0.0408","0.0316","","0.0355","0.0276","0.0276","","","","","","1.0841","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211973","19.358","0.005","13.756","0.004","26.012","0.007","90","","99.951","0.004","90","","6822","3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","F-MOF 1","","","- C76 H47 Cu F18 N4 O15 -","- C76 H47 Cu F18 N4 O15 -","- C304 H188 Cu4 F72 N16 O60 -","4","1","","Pachfule, Pradip; Dey, Chandan; Panda, Tamas; Banerjee, Rahul","Synthesis and structural comparisons of five new fluorinated metal organic frameworks (F-MOFs)","CrystEngComm","2010","12","5","1600","","10.1039/b917483d","","","0.71073","MoKα","","0.0533","0.0424","","","0.1186","0.1283","","","","","","1.037","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211974","7.7882","0.0011","28.449","0.004","10.7928","0.0015","90","","90.52","0.002","90","","2391.2","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","F-MOF 2","","","- C27 H18 Cu F6 N2 O5 -","- C27 H18 Cu F6 N2 O5 -","- C108 H72 Cu4 F24 N8 O20 -","4","1","","Pachfule, Pradip; Dey, Chandan; Panda, Tamas; Banerjee, Rahul","Synthesis and structural comparisons of five new fluorinated metal organic frameworks (F-MOFs)","CrystEngComm","2010","12","5","1600","","10.1039/b917483d","","","0.71073","MoKα","","0.0439","0.0348","","","0.0889","0.1007","","","","","","1.045","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211975","51.5","0.014","11.992","0.003","14.114","0.004","90","","90","","90","","8717","4","100","2","100","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","F-MOF 3","","","- C92 H58 Cu2 F24 N4 O18 -","- C92 H58 Cu2 F24 N4 O18 -","- C368 H232 Cu8 F96 N16 O72 -","4","0.5","","Pachfule, Pradip; Dey, Chandan; Panda, Tamas; Banerjee, Rahul","Synthesis and structural comparisons of five new fluorinated metal organic frameworks (F-MOFs)","CrystEngComm","2010","12","5","1600","","10.1039/b917483d","","","0.71073","MoKα","","0.0681","0.0552","","","0.1254","0.1308","","","","","","1.151","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211976","25.643","0.008","11.004","0.003","24.351","0.007","90","","115.518","0.005","90","","6201","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","F-MOF 4","","","- C59.94 H55.94 Cu2 F12 N5.82 O11 -","- C59.944 H55.944 Cu2 F12 N5.824 O11 -","- C239.776 H223.776 Cu8 F48 N23.296 O44 -","4","1","","Pachfule, Pradip; Dey, Chandan; Panda, Tamas; Banerjee, Rahul","Synthesis and structural comparisons of five new fluorinated metal organic frameworks (F-MOFs)","CrystEngComm","2010","12","5","1600","","10.1039/b917483d","","","0.71073","MoKα","","0.099","0.0557","","","0.1278","0.1439","","","","","","0.986","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211977","16.389","0.007","13.157","0.006","26.553","0.012","90","","90","","90","","5726","4","273","2","273","2","","","","","","","","6","P b c n","-P 2n 2ab","60","F-MOF 5","","","- C62 H32 Cu2 F12 N5 O10 -","- C62 H32 Cu2 F12 N5 O10 -","- C248 H128 Cu8 F48 N20 O40 -","4","0.5","","Pachfule, Pradip; Dey, Chandan; Panda, Tamas; Banerjee, Rahul","Synthesis and structural comparisons of five new fluorinated metal organic frameworks (F-MOFs)","CrystEngComm","2010","12","5","1600","","10.1039/b917483d","","","0.71073","MoKα","","0.1255","0.0562","","","0.1512","0.1862","","","","","","0.908","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211978","6.1601","0.0005","5.9993","0.0005","11.3396","0.0008","90","","93.849","0.006","90","","418.12","0.06","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C2 H5 N5 -","- C2 H5 N5 -","- C8 H20 N20 -","4","1","","Konovalova, Irina S.; Shishkina, Svitlana V.; Paponov, Boris V.; Shishkin, Oleg V.","Analysis of the crystal structure of two polymorphic modifications of 3,4-diamino-1,2,4-triazole based on the energy of the intermolecular interactions","CrystEngComm","2010","12","3","909","","10.1039/b917485k","","","0.71073","MoKα","","0.0359","0.0353","","","0.0895","0.0905","","","","","","1.047","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211979","5.3783","0.0012","11.086","0.003","13.58","0.004","90","","90","","90","","809.7","0.4","164","2","164","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C2 H5 N5 -","- C2 H5 N5 -","- C16 H40 N40 -","8","1","","Konovalova, Irina S.; Shishkina, Svitlana V.; Paponov, Boris V.; Shishkin, Oleg V.","Analysis of the crystal structure of two polymorphic modifications of 3,4-diamino-1,2,4-triazole based on the energy of the intermolecular interactions","CrystEngComm","2010","12","3","909","","10.1039/b917485k","","","0.71073","MoKα","","0.1038","0.0416","","","0.101","0.1096","","","","","","0.91","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211981","9.8585","0.0006","14.0448","0.0008","28.6911","0.0017","90","","99.005","0.001","90","","3923.6","0.4","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H42 Cl6 O9 -","- C36 H42 Cl6 O9 -","- C144 H168 Cl24 O36 -","4","1","","Tominaga, Masahide; Katagiri, Kosuke; Azumaya, Isao","Hydrogen-bonded networks formed from tri- and tetra-substituted adamantanes bearing dimethoxyphenol moieties and their 1,3,5-trinitrobenzene complexes via charge-transfer interactions","CrystEngComm","2010","12","4","1164","","10.1039/b917654c","","","0.71073","MoKα","","0.0927","0.0826","","","0.2495","0.2585","","","","","","1.07","","","","has coordinates,has disorder","180450","2020-10-21","18:00:00",""
"7211982","10.0663","0.0011","19.591","0.002","19.371","0.002","90","","98.623","0.001","90","","3777","0.7","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H43 N3 O15 -","- C40 H43 N3 O15 -","- C160 H172 N12 O60 -","4","1","","Tominaga, Masahide; Katagiri, Kosuke; Azumaya, Isao","Hydrogen-bonded networks formed from tri- and tetra-substituted adamantanes bearing dimethoxyphenol moieties and their 1,3,5-trinitrobenzene complexes via charge-transfer interactions","CrystEngComm","2010","12","4","1164","","10.1039/b917654c","","","0.71073","MoKα","","0.0733","0.0403","","","0.0874","0.101","","","","","","1.008","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211983","31.279","0.003","10.6127","0.001","22.276","0.004","90","","132.356","0.001","90","","5464.4","1.2","120","","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C46 H52 Cl12 O12 -","- C46 H52 Cl12 O12 -","- C184 H208 Cl48 O48 -","4","0.5","","Tominaga, Masahide; Katagiri, Kosuke; Azumaya, Isao","Hydrogen-bonded networks formed from tri- and tetra-substituted adamantanes bearing dimethoxyphenol moieties and their 1,3,5-trinitrobenzene complexes via charge-transfer interactions","CrystEngComm","2010","12","4","1164","","10.1039/b917654c","","","0.71073","MoKα","","0.0607","0.0543","","","0.137","0.1421","","","","","","1.041","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211984","13.052","0.014","14.34","0.015","16.268","0.017","102.717","0.015","91.783","0.013","107.3","0.013","2820","5","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C55 H55 Cl3 N6 O24 -","- C55 H55 Cl3 N6 O24 -","- C110 H110 Cl6 N12 O48 -","2","1","","Tominaga, Masahide; Katagiri, Kosuke; Azumaya, Isao","Hydrogen-bonded networks formed from tri- and tetra-substituted adamantanes bearing dimethoxyphenol moieties and their 1,3,5-trinitrobenzene complexes via charge-transfer interactions","CrystEngComm","2010","12","4","1164","","10.1039/b917654c","","","0.71073","MoKα","","0.1627","0.0785","","","0.2009","0.25","","","","","","1.006","","","","has coordinates,has disorder","180450","2020-10-21","18:00:00",""
"7211985","17.0025","0.0014","36.907","0.003","11.2149","0.001","90","","94.907","0.002","90","","7011.7","1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C70 H60 N8 Ni3 O21 -","- C70 H52 N8 Ni3 O21 -","- C280 H208 N32 Ni12 O84 -","4","0.5","","Wang, Hailong; Zhang, Daopeng; Sun, Daofeng; Chen, Yuting; Wang, Kang; Ni, Zhong-Hai; Tian, Laijin; Jiang, Jianzhuang","Diverse Ni(ii) MOFs constructed from asymmetric semi-rigid V-shaped multicarboxylate ligands: structures and magnetic properties","CrystEngComm","2010","12","4","1096","","10.1039/b917659d","","","0.71073","MoKα","","0.0663","0.0464","","","0.1252","0.1356","","","","","","1.068","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7211986","11.336","0.003","19.518","0.006","27.059","0.008","90","","98.092","0.005","90","","5927","3","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C60 H50 N6 Ni3 O20 -","- C60 H48 N6 Ni3 O20 -","- C240 H192 N24 Ni12 O80 -","4","1","","Wang, Hailong; Zhang, Daopeng; Sun, Daofeng; Chen, Yuting; Wang, Kang; Ni, Zhong-Hai; Tian, Laijin; Jiang, Jianzhuang","Diverse Ni(ii) MOFs constructed from asymmetric semi-rigid V-shaped multicarboxylate ligands: structures and magnetic properties","CrystEngComm","2010","12","4","1096","","10.1039/b917659d","","","0.71073","MoKα","","0.0904","0.0768","","","0.1986","0.2094","","","","","","1.008","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211987","9.99","0.003","22.497","0.007","14.764","0.005","90","","100.521","0.005","90","","3262.4","1.8","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70 H58 N8 Ni3 O20 -","- C70 H58 N8 Ni3 O20 -","- C140 H116 N16 Ni6 O40 -","2","0.5","","Wang, Hailong; Zhang, Daopeng; Sun, Daofeng; Chen, Yuting; Wang, Kang; Ni, Zhong-Hai; Tian, Laijin; Jiang, Jianzhuang","Diverse Ni(ii) MOFs constructed from asymmetric semi-rigid V-shaped multicarboxylate ligands: structures and magnetic properties","CrystEngComm","2010","12","4","1096","","10.1039/b917659d","","","0.71073","MoKα","","0.0919","0.0621","","","0.1234","0.1414","","","","","","1.003","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211988","25.342","0.016","8.645","0.005","14.204","0.011","90","","120.412","0.019","90","","2684","3","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C15 H10 O7 -","- C15 H10 O7 -","- C120 H80 O56 -","8","1","","Wang, Hailong; Zhang, Daopeng; Sun, Daofeng; Chen, Yuting; Wang, Kang; Ni, Zhong-Hai; Tian, Laijin; Jiang, Jianzhuang","Diverse Ni(ii) MOFs constructed from asymmetric semi-rigid V-shaped multicarboxylate ligands: structures and magnetic properties","CrystEngComm","2010","12","4","1096","","10.1039/b917659d","","","0.71073","MoKα","","0.1347","0.0987","","","0.2792","0.3021","","","","","","1.01","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211989","34.511","0.007","15.736","0.002","24.91","0.005","90","","129.759","0.012","90","","10399","4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H103 Cd3 Mo12 N15 O72 P8 -","- C20 H77 Cd3 Mo12 N15 O72 P8 -","- C80 H308 Cd12 Mo48 N60 O288 P32 -","4","0.5","","Zhang, Xiao; Yi, Zhihui; Zhao, Liyan; Chen, Qian; Wang, Xiaolin; Xu, Jiqing; Xia, Wujiong; Yang, Chao","pH-dependent assembly of a series of inorganic‒organic hybrid molybdenum(v) phosphate","CrystEngComm","2010","12","2","595","","10.1039/b917754j","","","0.71073","MoKα","","0.111","0.0679","","","0.1728","0.1904","","","","","","0.944","","","","has coordinates,has disorder","180450","2020-10-21","18:00:00",""
"7211990","13.2845","0.0007","22.1336","0.0011","16.6627","0.0006","90","","127.371","0.003","90","","3893.7","0.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H90 Cd Mo12 N12 O70 P8 -","- C16 H68 Cd Mo12 N12 O70 P8 -","- C32 H136 Cd2 Mo24 N24 O140 P16 -","2","0.5","","Zhang, Xiao; Yi, Zhihui; Zhao, Liyan; Chen, Qian; Wang, Xiaolin; Xu, Jiqing; Xia, Wujiong; Yang, Chao","pH-dependent assembly of a series of inorganic‒organic hybrid molybdenum(v) phosphate","CrystEngComm","2010","12","2","595","","10.1039/b917754j","","","0.71073","MoKα","","0.0247","0.0218","","","0.0545","0.0556","","","","","","1.099","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211991","12.428","0.003","12.595","0.003","13.069","0.003","85.49","0.03","73.43","0.03","82.21","0.03","1940.9","0.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C8 H45 Mo6 N6 Na O35 P4 -","- C8 H34 Mo6 N6 Na O35 P4 -","- C16 H68 Mo12 N12 Na2 O70 P8 -","2","1","","Zhang, Xiao; Yi, Zhihui; Zhao, Liyan; Chen, Qian; Wang, Xiaolin; Xu, Jiqing; Xia, Wujiong; Yang, Chao","pH-dependent assembly of a series of inorganic‒organic hybrid molybdenum(v) phosphate","CrystEngComm","2010","12","2","595","","10.1039/b917754j","","","0.71073","MoKα","","0.0379","0.0299","","","0.0789","0.0903","","","","","","1.108","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211992","11.908","0.002","13.465","0.003","14.403","0.003","71.82","0.03","89.23","0.03","69.29","0.03","2040.1","0.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H90 Cd3 Mo12 N12 O72 P8 -","- C16 H34 Cd3 Mo12 N12 O72 P8 -","- C16 H34 Cd3 Mo12 N12 O72 P8 -","1","0.5","","Zhang, Xiao; Yi, Zhihui; Zhao, Liyan; Chen, Qian; Wang, Xiaolin; Xu, Jiqing; Xia, Wujiong; Yang, Chao","pH-dependent assembly of a series of inorganic‒organic hybrid molybdenum(v) phosphate","CrystEngComm","2010","12","2","595","","10.1039/b917754j","","","0.71073","MoKα","","0.0354","0.0331","","","0.084","0.0858","","","","","","1.069","","","","has coordinates,has disorder","180450","2020-10-21","18:00:00",""
"7211993","8.941","0.0005","8.941","0.0004","10.026","0.0004","90","0.001","90","0.001","120","0.005","694.11","0.07","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C4 H6 La N3 O7 -","- C4 H2 La N3 O7 -","- C12 H6 La3 N9 O21 -","3","0.5","","Yuan, Gang; Shao, Kui-Zhan; Wang, Xin-Long; Lan, Ya-Qian; Du, Dong-Ying; Su, Zhong-Min","A series of novel chiral lanthanide coordination polymers with channels constructed from 16Ln-based cage-like building units","CrystEngComm","2010","12","4","1147","","10.1039/b917779e","","","0.71069","MoKα","","0.0269","0.0264","","","0.0802","0.0806","","","","","","1.055","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211994","8.888","0.005","8.888","0.008","9.973","0.006","90","0.005","90","0.005","120","0.005","682.3","0.8","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C4 H6 Ce N3 O7 -","- C4 H2 Ce N3 O7 -","- C12 H6 Ce3 N9 O21 -","3","0.5","","Yuan, Gang; Shao, Kui-Zhan; Wang, Xin-Long; Lan, Ya-Qian; Du, Dong-Ying; Su, Zhong-Min","A series of novel chiral lanthanide coordination polymers with channels constructed from 16Ln-based cage-like building units","CrystEngComm","2010","12","4","1147","","10.1039/b917779e","","","0.71069","MoKα","","0.0226","0.0224","","","0.0657","0.0658","","","","","","1.071","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211995","8.841","0.004","8.841","0.004","9.922","0.005","90","0.005","90","0.005","120","0.005","671.6","0.5","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C4 H6 N3 O7 Pr -","- C4 H2 N3 O7 Pr -","- C12 H6 N9 O21 Pr3 -","3","0.5","","Yuan, Gang; Shao, Kui-Zhan; Wang, Xin-Long; Lan, Ya-Qian; Du, Dong-Ying; Su, Zhong-Min","A series of novel chiral lanthanide coordination polymers with channels constructed from 16Ln-based cage-like building units","CrystEngComm","2010","12","4","1147","","10.1039/b917779e","","","0.71069","MoKα","","0.0258","0.0255","","","0.0775","0.0776","","","","","","1.041","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211996","8.805","0.0009","8.805","0.0009","9.883","0.001","90","0.0012","90","0.001","120","0.01","663.56","0.13","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C4 H6 N3 Nd O7 -","- C4 H6 N3 Nd O7 -","- C12 H18 N9 Nd3 O21 -","3","0.5","","Yuan, Gang; Shao, Kui-Zhan; Wang, Xin-Long; Lan, Ya-Qian; Du, Dong-Ying; Su, Zhong-Min","A series of novel chiral lanthanide coordination polymers with channels constructed from 16Ln-based cage-like building units","CrystEngComm","2010","12","4","1147","","10.1039/b917779e","","","0.71069","MoKα","","0.0224","0.022","","","0.0596","0.0598","","","","","","1.049","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211997","8.712","0.004","8.712","0.004","9.818","0.005","90","0.005","90","0.005","120","0.005","645.3","0.5","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C4 H6 N3 O7 Sm -","- C4 H2 N3 O7 Sm -","- C12 H6 N9 O21 Sm3 -","3","0.5","","Yuan, Gang; Shao, Kui-Zhan; Wang, Xin-Long; Lan, Ya-Qian; Du, Dong-Ying; Su, Zhong-Min","A series of novel chiral lanthanide coordination polymers with channels constructed from 16Ln-based cage-like building units","CrystEngComm","2010","12","4","1147","","10.1039/b917779e","","","0.71069","MoKα","","0.0229","0.0224","","","0.0607","0.0609","","","","","","1.011","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211998","8.674","0.005","8.674","0.005","9.796","0.006","90","0.007","90","0.007","120","0.006","638.3","0.7","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C4 H6 Eu N3 O7 -","- C4 H6 Eu N3 O7 -","- C12 H18 Eu3 N9 O21 -","3","0.5","","Yuan, Gang; Shao, Kui-Zhan; Wang, Xin-Long; Lan, Ya-Qian; Du, Dong-Ying; Su, Zhong-Min","A series of novel chiral lanthanide coordination polymers with channels constructed from 16Ln-based cage-like building units","CrystEngComm","2010","12","4","1147","","10.1039/b917779e","","","0.71069","MoKα","","0.0269","0.0264","","","0.0717","0.0719","","","","","","1.052","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211999","8.639","0.007","8.639","0.005","9.772","0.006","90","0.005","90","0.005","120","0.005","631.6","0.7","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C4 H6 Gd N3 O7 -","- C4 H6 Gd N3 O7 -","- C12 H18 Gd3 N9 O21 -","3","0.5","","Yuan, Gang; Shao, Kui-Zhan; Wang, Xin-Long; Lan, Ya-Qian; Du, Dong-Ying; Su, Zhong-Min","A series of novel chiral lanthanide coordination polymers with channels constructed from 16Ln-based cage-like building units","CrystEngComm","2010","12","4","1147","","10.1039/b917779e","","","0.71069","MoKα","","0.0289","0.0284","","","0.0852","0.0856","","","","","","1.061","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7212000","6.998","0.004","7.923","0.005","8.61","0.005","87.064","0.008","70.43","0.008","70.354","0.007","422.6","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H6 N4 O3 Pb -","- C6 H6 N4 O3 Pb -","- C12 H12 N8 O6 Pb2 -","2","1","","Sadeghzadeh, Homa; Morsali, Ali","Hedge balls nano-structure of a mixed-ligand lead(II) coordination polymer; thermal, structural and X-ray powder diffraction studies","CrystEngComm","2010","12","2","370","","10.1039/b917819h","","","0.71073","MoKα","","0.0939","0.0808","","","0.2037","0.2133","","","","","","1.072","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212001","10.167","0.003","9.038","0.003","8.93","0.003","90","","100.572","0.005","90","","806.6","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","bis(2-ethanolammonium)tetraiodoplumbate(ii)","bis(2-ethanolammonium)tetraiodoplumbate(II)","","- C4 H16 I4 N2 O2 Pb -","- C4 H16 I4 N2 O2 Pb -","- C8 H32 I8 N4 O4 Pb2 -","2","0.5","","Lemmerer, Andreas; Billing, David G.","Effect of heteroatoms in the inorganic‒organic layered perovskite-type hybrids [(ZCnH2nNH3)2PbI4], n = 2, 3, 4, 5, 6; Z = OH, Br and I; and [(H3NC2H4S2C2H4NH3)PbI4]","CrystEngComm","2010","12","4","1290","","10.1039/b917824d","","","0.71073","MoKα","","0.025","0.0234","","","0.0577","0.0583","","","","","","1.151","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212002","10.631","0.003","9.199","0.003","9.207","0.003","90","","93.057","0.006","90","","899.1","0.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","bis(3-propanolammonium)tetraiodoplumbate(ii)","bis(3-propanolammonium)tetraiodoplumbate(II)","","- C6 H20 I4 N2 O2 Pb -","- C6 H20 I4 N2 O2 Pb -","- C12 H40 I8 N4 O4 Pb2 -","2","0.5","","Lemmerer, Andreas; Billing, David G.","Effect of heteroatoms in the inorganic‒organic layered perovskite-type hybrids [(ZCnH2nNH3)2PbI4], n = 2, 3, 4, 5, 6; Z = OH, Br and I; and [(H3NC2H4S2C2H4NH3)PbI4]","CrystEngComm","2010","12","4","1290","","10.1039/b917824d","","","0.71073","MoKα","","0.0311","0.0296","","","0.0798","0.0807","","","","","","1.108","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212003","12.552","0.0009","8.7614","0.0006","8.6441","0.0006","90","","97.994","0.002","90","","941.38","0.11","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(2-iodoethylammonium)tetraiodoplumbate(ii)","bis(2-iodoethylammonium)tetraiodoplumbate(II)","","- C4 H14 I6 N2 Pb -","- C4 H14 I6 N2 Pb -","- C8 H28 I12 N4 Pb2 -","2","0.5","","Lemmerer, Andreas; Billing, David G.","Effect of heteroatoms in the inorganic‒organic layered perovskite-type hybrids [(ZCnH2nNH3)2PbI4], n = 2, 3, 4, 5, 6; Z = OH, Br and I; and [(H3NC2H4S2C2H4NH3)PbI4]","CrystEngComm","2010","12","4","1290","","10.1039/b917824d","","","0.71073","MoKα","","0.034","0.0319","","","0.0782","0.0791","","","","","","1.158","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212004","14.0739","0.0015","9.0379","0.001","8.4723","0.001","90","","99.246","0.005","90","","1063.7","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(3-iodopropylammonium)tetraiodoplumbate(ii)","bis(3-iodopropylammonium)tetraiodoplumbate(II)","","- C6 H18 I6 N2 Pb -","- C6 H18 I6 N2 Pb -","- C12 H36 I12 N4 Pb2 -","2","0.5","","Lemmerer, Andreas; Billing, David G.","Effect of heteroatoms in the inorganic‒organic layered perovskite-type hybrids [(ZCnH2nNH3)2PbI4], n = 2, 3, 4, 5, 6; Z = OH, Br and I; and [(H3NC2H4S2C2H4NH3)PbI4]","CrystEngComm","2010","12","4","1290","","10.1039/b917824d","","","0.71073","MoKα","","0.028","0.0251","","","0.0574","0.0582","","","","","","1.122","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212005","15.3677","0.0008","8.2431","0.0004","9.0441","0.0004","90","","91.905","0.001","90","","1145.05","0.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(4-iodobutylammonium)tetraiodoplumbate(ii)","bis(4-iodobutylammonium)tetraiodoplumbate(II)","","- C8 H22 I6 N2 Pb -","- C8 H22 I6 N2 Pb -","- C16 H44 I12 N4 Pb2 -","2","0.5","","Lemmerer, Andreas; Billing, David G.","Effect of heteroatoms in the inorganic‒organic layered perovskite-type hybrids [(ZCnH2nNH3)2PbI4], n = 2, 3, 4, 5, 6; Z = OH, Br and I; and [(H3NC2H4S2C2H4NH3)PbI4]","CrystEngComm","2010","12","4","1290","","10.1039/b917824d","","","0.71073","MoKα","","0.0247","0.0213","","","0.0553","0.0731","","","","","","1.215","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212006","16.2583","0.0011","8.9028","0.0005","8.6261","0.0006","90","","90.071","0.004","90","","1248.58","0.14","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(5-iodopentylammonium)tetraiodoplumbate(ii)","bis(5-iodopentylammonium)tetraiodoplumbate(II)","","- C10 H26 I6 N2 Pb -","- C10 H26 I6 N2 Pb -","- C20 H52 I12 N4 Pb2 -","2","0.5","","Lemmerer, Andreas; Billing, David G.","Effect of heteroatoms in the inorganic‒organic layered perovskite-type hybrids [(ZCnH2nNH3)2PbI4], n = 2, 3, 4, 5, 6; Z = OH, Br and I; and [(H3NC2H4S2C2H4NH3)PbI4]","CrystEngComm","2010","12","4","1290","","10.1039/b917824d","","","0.71073","MoKα","","0.0413","0.0359","","","0.087","0.1002","","","","","","1.035","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212007","9.2206","0.0004","8.8513","0.0004","31.9795","0.0015","90","","90","","90","","2610","0.2","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","bis(6-iodohexylammonium)tetraiodoplumbste(ii)","bis(6-iodohexylammonium)tetraiodoplumbste(II)","","- C12 H30 I6 N2 Pb -","- C12 H30 I6 N2 Pb -","- C48 H120 I24 N8 Pb4 -","4","0.5","","Lemmerer, Andreas; Billing, David G.","Effect of heteroatoms in the inorganic‒organic layered perovskite-type hybrids [(ZCnH2nNH3)2PbI4], n = 2, 3, 4, 5, 6; Z = OH, Br and I; and [(H3NC2H4S2C2H4NH3)PbI4]","CrystEngComm","2010","12","4","1290","","10.1039/b917824d","","","0.71073","MoKα","","0.0425","0.0334","","","0.089","0.1032","","","","","","1.175","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212008","12.8543","0.0007","20.7714","0.0013","6.4866","0.0004","90","","90","","90","","1731.93","0.18","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","bis(2-bromoethylammonium)tetraiodoplumbate(ii)","bis(2-bromoethylammonium)tetraiodoplumbate(II)","","- C4 H14 Br2 I4 N2 Pb -","- C4 H14 Br2 I4 N2 Pb -","- C16 H56 Br8 I16 N8 Pb4 -","4","0.5","","Lemmerer, Andreas; Billing, David G.","Effect of heteroatoms in the inorganic‒organic layered perovskite-type hybrids [(ZCnH2nNH3)2PbI4], n = 2, 3, 4, 5, 6; Z = OH, Br and I; and [(H3NC2H4S2C2H4NH3)PbI4]","CrystEngComm","2010","12","4","1290","","10.1039/b917824d","","","0.71073","MoKα","","0.0637","0.0538","","","0.143","0.1485","","","","","","1.139","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212009","17.795","0.001","8.5195","0.0007","23.1666","0.0015","90","","98.719","0.005","90","","3471.6","0.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(2,2'-dithiodiethanammonium)tetraiodoplumbate(ii)","(2,2'-dithiodiethanammonium)tetraiodoplumbate(II)","","- C8 H28 I8 N4 Pb2 S4 -","- C8 H28 I8 N4 Pb2 S4 -","- C32 H112 I32 N16 Pb8 S16 -","4","1","","Lemmerer, Andreas; Billing, David G.","Effect of heteroatoms in the inorganic‒organic layered perovskite-type hybrids [(ZCnH2nNH3)2PbI4], n = 2, 3, 4, 5, 6; Z = OH, Br and I; and [(H3NC2H4S2C2H4NH3)PbI4]","CrystEngComm","2010","12","4","1290","","10.1039/b917824d","","","0.71073","MoKα","","0.0561","0.0354","","","0.0663","0.0705","","","","","","1.02","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212010","11.3748","0.0002","8.729","0.0001","29.2867","0.0004","90","","95.004","0.001","90","","2896.81","0.07","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","bis(2,2'-dithiodiethanammonium)pentaiodoplumbate(ii) iodide","bis(2,2'-dithiodiethanammonium)pentaiodoplumbate(II) iodide","","- C8 H28 I6 N4 Pb S4 -","- C8 H28 I6 N4 Pb S4 -","- C32 H112 I24 N16 Pb4 S16 -","4","1","","Lemmerer, Andreas; Billing, David G.","Effect of heteroatoms in the inorganic‒organic layered perovskite-type hybrids [(ZCnH2nNH3)2PbI4], n = 2, 3, 4, 5, 6; Z = OH, Br and I; and [(H3NC2H4S2C2H4NH3)PbI4]","CrystEngComm","2010","12","4","1290","","10.1039/b917824d","","","0.71073","MoKα","","0.0446","0.0381","","","0.0892","0.0921","","","","","","1.046","","","","has coordinates,has disorder","180451","2020-10-21","18:00:00",""
"7212011","15.93","0.002","15.93","0.002","15.941","0.004","90","","90","","90","","4045.3","1.2","173","2","173","2","","","","","","","","8","I 4/m","-I 4","87","","","","- C34 H48 F6 N4 O2 S4 Si Zn -","- C30 H36 F6 N4 S4 Si Zn -","- C120 H144 F24 N16 S16 Si4 Zn4 -","4","0.25","","Lin, Mei-Jin; Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: chaining cages into a 1-D coordination network","CrystEngComm","2010","12","1","67","","10.1039/b917864c","","","0.71073","MoKα","","0.1147","0.0491","","","0.1194","0.1495","","","","","","1.002","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212012","31.7084","0.0016","5.6724","0.0002","22.6344","0.0011","90","","134.288","0.005","90","","2914.2","0.3","120","2","120","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C48 H64 N8 -","- C48 H64 N8 -","- C96 H128 N16 -","2","0.5","","Dawson, Conor; Horton, Peter N.; Hursthouse, Michael B.; James, Stuart L.","Channelled crystals formed by tubular stacking of a 4 + 4 phenylene-piperazine macrocycle","CrystEngComm","2010","12","4","1048","","10.1039/b917953d","","","0.71073","MoKα","","0.0934","0.0726","","","0.1895","0.1998","","","","","","1.063","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212013","8.306","0.0006","10.5205","0.0009","12.4149","0.001","103.619","0.005","90.201","0.005","94.123","0.005","1051.39","0.15","90","0.5","90","0.5","","","","","","","","6","P -1","-P 1","2","","","","- C20 H48 Cl6 N6 O28 S2 -","- C20 H48 Cl6 N6 O28 S2 -","- C20 H48 Cl6 N6 O28 S2 -","1","0.5","","Saeed, Musabbir A.; Thompson, Jameskia J.; Fronczek, Frank R.; Hossain, Md Alamgir","Ditopic binding of perchlorate anion to hexaazamacrocyclic hosts.","CrystEngComm / RSC","2010","12","3","674","676","10.1039/b918152k","","","1.54178","CuKα","","0.033","0.032","","","0.086","0.087","","","","","","1.051","","","","has coordinates,has disorder","180451","2020-10-21","18:00:00",""
"7212014","36.577","0.007","36.577","0.007","36.577","0.007","90","","90","","90","","48936","16","298","2","298","2","","","","","","","","7","F -4 3 c","F -4a 2 3","219","","","","- C48 H72 Cl4 Cu31 N96 O32 S32 -","- C48 H72 Cl4 Cu31 N96 O32 S32 -","- C384 H576 Cl32 Cu248 N768 O256 S256 -","8","0.0833333","","Hao, Zheng-Ming; Guo, Cai-Hong; Wu, Hai-Shun; Zhang, Xian-Ming","Luminescent boracite-like metal‒organic frameworks constructed by Cu-centered CuCu4 tetrahedra and CuCu3 triangles with an acentric cubic superlarge cell","CrystEngComm","2010","12","1","55","","10.1039/b918159h","","","0.71073","MoKα","","0.0561","0.0501","","","0.1007","0.1035","","","","","","1.106","","","","has coordinates,has disorder","180451","2020-10-21","18:00:00",""
"7212015","36.3997","0.0005","36.3997","0.0005","36.3997","0.0005","90","","90","","90","","48227.4","1.1","298","2","298","2","","","","","","","","7","F -4 3 c","F -4a 2 3","219","","","","- C48 H72 Br4 Cu31 N96 O32 S32 -","- C48 H72 Br4 Cu31 N96 O32 S32 -","- C384 H576 Br32 Cu248 N768 O256 S256 -","8","0.0833333","","Hao, Zheng-Ming; Guo, Cai-Hong; Wu, Hai-Shun; Zhang, Xian-Ming","Luminescent boracite-like metal‒organic frameworks constructed by Cu-centered CuCu4 tetrahedra and CuCu3 triangles with an acentric cubic superlarge cell","CrystEngComm","2010","12","1","55","","10.1039/b918159h","","","0.71073","MoKα","","0.0363","0.0333","","","0.0839","0.0854","","","","","","1.066","","","","has coordinates,has disorder","180451","2020-10-21","18:00:00",""
"7212016","36.6289","0.0011","36.6289","0.0011","36.6289","0.0011","90","","90","","90","","49144","3","298","2","298","2","","","","","","","","7","F -4 3 c","F -4a 2 3","219","","","","- C48 H72 Cu31 I4 N96 O32 S32 -","- C48 H72 Cu31 I4 N96 O31.996 S31.996 -","- C384 H576 Cu248 I32 N768 O255.968 S255.968 -","8","0.0833333","","Hao, Zheng-Ming; Guo, Cai-Hong; Wu, Hai-Shun; Zhang, Xian-Ming","Luminescent boracite-like metal‒organic frameworks constructed by Cu-centered CuCu4 tetrahedra and CuCu3 triangles with an acentric cubic superlarge cell","CrystEngComm","2010","12","1","55","","10.1039/b918159h","","","0.71073","MoKα","","0.0327","0.0316","","","0.084","0.0847","","","","","","1.065","","","","has coordinates,has disorder","180451","2020-10-21","18:00:00",""
"7212017","19.711","0.004","18.928","0.004","23.826","0.005","90","","116.74","0.03","90","","7939","4","130","1","130","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H60 Ce2 N6 O24 S3 -","- C60 H60 Ce2 N6 O24 S3 -","- C240 H240 Ce8 N24 O96 S12 -","4","1","","Neofotistou, Eleftheria; Malliakas, Christos D.; Trikalitis, Pantelis N.","Remarkable structural diversity and single-crystal-to-single-crystal transformations in sulfone functionalized lanthanide MOFs","CrystEngComm","2010","12","4","1034","","10.1039/b918269c","","","0.71073","MoKα","","0.0693","0.042","","","0.0915","0.0969","","","","","","0.852","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212018","25.0566","0.0012","25.0566","0.0012","29.944","0.003","90","","90","","120","","16281","2","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C28 H12 Ce O12 S2 -","- C28 H12 Ce O12 S2 -","- C252 H108 Ce9 O108 S18 -","9","0.5","","Neofotistou, Eleftheria; Malliakas, Christos D.; Trikalitis, Pantelis N.","Remarkable structural diversity and single-crystal-to-single-crystal transformations in sulfone functionalized lanthanide MOFs","CrystEngComm","2010","12","4","1034","","10.1039/b918269c","","","0.41382","","","0.0924","0.079","","","0.2104","0.2168","","","","","","1.339","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212019","12.4996","0.0012","17.7008","0.0016","22.3869","0.0018","79.657","0.007","80.452","0.007","81.326","0.008","4767.6","0.8","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H59 Dy2 N6 O25 S3 -","- C60 H59 Dy2 N6 O25 S3 -","- C120 H118 Dy4 N12 O50 S6 -","2","1","","Neofotistou, Eleftheria; Malliakas, Christos D.; Trikalitis, Pantelis N.","Remarkable structural diversity and single-crystal-to-single-crystal transformations in sulfone functionalized lanthanide MOFs","CrystEngComm","2010","12","4","1034","","10.1039/b918269c","","","0.71073","MoKα","","0.1711","0.0714","","","0.1719","0.2047","","","","","","0.866","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212020","19.5011","0.0013","16.7853","0.0012","24.295","0.0017","90","","112.891","0.002","90","","7326.2","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C63 H67 La2 N7 O25 S3 -","- C63 H67 La2 N7 O25 S3 -","- C252 H268 La8 N28 O100 S12 -","4","1","","Neofotistou, Eleftheria; Malliakas, Christos D.; Trikalitis, Pantelis N.","Remarkable structural diversity and single-crystal-to-single-crystal transformations in sulfone functionalized lanthanide MOFs","CrystEngComm","2010","12","4","1034","","10.1039/b918269c","","","0.40759","","","0.1485","0.0717","","","0.1693","0.2192","","","","","","1.388","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212021","35.0141","0.0019","14.9351","0.0008","30.3411","0.0017","90","","97.422","0.001","90","","15733.6","1.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H60 N6 O24 Pr2 S3 -","- C60 H60 N6 O24 Pr2 S3 -","- C480 H480 N48 O192 Pr16 S24 -","8","1","","Neofotistou, Eleftheria; Malliakas, Christos D.; Trikalitis, Pantelis N.","Remarkable structural diversity and single-crystal-to-single-crystal transformations in sulfone functionalized lanthanide MOFs","CrystEngComm","2010","12","4","1034","","10.1039/b918269c","","","0.41328","","","0.0768","0.0591","","","0.1516","0.1601","","","","","","1.069","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212022","22.276","0.0008","5.59764","0.00017","10.3599","0.0004","90","","109.912","0.004","90","","1214.58","0.08","195","0.1","195","0.1","","","100","","","","","3","C 1 2/c 1","-C 2yc","15","1,1,1,2-tetrachloroethane","1,1,1,2-tetrachloroethane","","- C2 H2 Cl4 -","- C2 H2 Cl4 -","- C16 H16 Cl32 -","8","1","","Bujak, Maciej; Katrusiak, Andrzej","Molecular association in low-temperature and high-pressure polymorphs of 1,1,1,2-tetrachloroethane","CrystEngComm","2010","12","4","1263","","10.1039/b918360d","","","0.71073","MoKα","","0.0441","0.0383","","","0.0898","0.094","","","","","","1.104","","","","has coordinates,has disorder","180451","2020-10-21","18:00:00",""
"7212023","22.1891","0.0015","5.4975","0.0002","10.2493","0.0006","90","","110.055","0.007","90","","1174.45","0.12","100","0.1","100","0.1","","","100","","","","","3","C 1 2/c 1","-C 2yc","15","1,1,1,2-tetrachloroethane","1,1,1,2-tetrachloroethane","","- C2 H2 Cl4 -","- C2 H2 Cl4 -","- C16 H16 Cl32 -","8","1","","Bujak, Maciej; Katrusiak, Andrzej","Molecular association in low-temperature and high-pressure polymorphs of 1,1,1,2-tetrachloroethane","CrystEngComm","2010","12","4","1263","","10.1039/b918360d","","","0.71073","MoKα","","0.0294","0.0261","","","0.0523","0.0543","","","","","","1.084","","","","has coordinates,has disorder","180451","2020-10-21","18:00:00",""
"7212024","5.7549","0.0014","11.979","0.007","8.734","0.005","90","","110.32","0.04","90","","564.6","0.5","295","2","295","2","","","1050000","","","","","3","P 1 21/c 1","-P 2ybc","14","1,1,2,2-tetrachloroethane","1,1,2,2-tetrachloroethane","","- C2 H2 Cl4 -","- C2 H2 Cl4 -","- C8 H8 Cl16 -","4","1","","Bujak, Maciej; Katrusiak, Andrzej","Molecular association in low-temperature and high-pressure polymorphs of 1,1,1,2-tetrachloroethane","CrystEngComm","2010","12","4","1263","","10.1039/b918360d","","","0.71073","MoKα","","0.1269","0.0861","","","0.1978","0.2024","","","","","","1.155","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212025","5.6957","0.0014","11.85","0.007","8.61","0.005","90","","110.35","0.04","90","","544.9","0.5","295","2","295","2","","","1650000","","","","","3","P 1 21/c 1","-P 2ybc","14","1,1,2,2-tetrachloroethane","1,1,2,2-tetrachloroethane","","- C2 H2 Cl4 -","- C2 H2 Cl4 -","- C8 H8 Cl16 -","4","1","","Bujak, Maciej; Katrusiak, Andrzej","Molecular association in low-temperature and high-pressure polymorphs of 1,1,1,2-tetrachloroethane","CrystEngComm","2010","12","4","1263","","10.1039/b918360d","","","0.71073","MoKα","","0.0713","0.0691","","","0.1707","0.1729","","","","","","1.18","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212026","5.5937","0.0014","11.586","0.006","8.336","0.005","90","","110.6","0.04","90","","505.7","0.4","295","2","295","2","","","2550000","","","","","3","P 1 21/c 1","-P 2ybc","14","1,1,2,2-tetrachloroethane","1,1,2,2-tetrachloroethane","","- C2 H2 Cl4 -","- C2 H2 Cl4 -","- C8 H8 Cl16 -","4","1","","Bujak, Maciej; Katrusiak, Andrzej","Molecular association in low-temperature and high-pressure polymorphs of 1,1,1,2-tetrachloroethane","CrystEngComm","2010","12","4","1263","","10.1039/b918360d","","","0.71073","MoKα","","0.0973","0.0901","","","0.2272","0.2365","","","","","","1.154","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212027","9.2189","0.0016","9.4608","0.0017","19.696","0.003","88.101","0.003","76.706","0.004","76.982","0.003","1628.5","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H74 I4 N12 O9 Zn2 -","- C48 H64 I4 N12 O9 Zn2 -","- C48 H64 I4 N12 O9 Zn2 -","1","0.5","","Hsu, Yi-Fen; Hsu, Wayne; Wu, Chia-Jun; Cheng, Pei-Chi; Yeh, Chun-Wei; Chang, Wen-Jung; Chen, Jhy-Der; Wang, Ju-Chun","Roles of halide anions in the structural diversity of Zn(ii) complexes containing the flexible N,N′-di(4-pyridyl)adipoamide ligand","CrystEngComm","2010","12","3","702","","10.1039/b918484h","","","0.71073","MoKα","","0.0906","0.0542","","","0.1255","0.1447","","","","","","1.074","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212028","15.3104","0.0012","17.8384","0.0013","14.6419","0.0012","90","","90","","90","","3998.9","0.5","297","2","297","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C16 H20 Cl2 N4 O3 Zn -","- C16 H20 Cl2 N4 O3 Zn -","- C128 H160 Cl16 N32 O24 Zn8 -","8","0.5","","Hsu, Yi-Fen; Hsu, Wayne; Wu, Chia-Jun; Cheng, Pei-Chi; Yeh, Chun-Wei; Chang, Wen-Jung; Chen, Jhy-Der; Wang, Ju-Chun","Roles of halide anions in the structural diversity of Zn(ii) complexes containing the flexible N,N′-di(4-pyridyl)adipoamide ligand","CrystEngComm","2010","12","3","702","","10.1039/b918484h","","","0.71073","MoKα","","0.0353","0.0274","","","0.0814","0.0859","","","","","","1.21","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212029","15.3196","0.0016","18.1947","0.0013","14.8493","0.0013","90","","90","","90","","4139","0.6","295","2","295","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C16 H20 Br2 N4 O3 Zn -","- C16 H20 Br2 N4 O3 Zn -","- C128 H160 Br16 N32 O24 Zn8 -","8","0.5","","Hsu, Yi-Fen; Hsu, Wayne; Wu, Chia-Jun; Cheng, Pei-Chi; Yeh, Chun-Wei; Chang, Wen-Jung; Chen, Jhy-Der; Wang, Ju-Chun","Roles of halide anions in the structural diversity of Zn(ii) complexes containing the flexible N,N′-di(4-pyridyl)adipoamide ligand","CrystEngComm","2010","12","3","702","","10.1039/b918484h","","","0.71073","MoKα","","0.0722","0.0414","","","0.0881","0.101","","","","","","1.018","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212030","9.327","0.0011","9.9752","0.0012","22.896","0.003","90","","91.813","0.011","90","","2129.1","0.5","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 I2 N4 O3 Zn -","- C16 H19 I2 N4 O3 Zn -","- C64 H76 I8 N16 O12 Zn4 -","4","1","","Hsu, Yi-Fen; Hsu, Wayne; Wu, Chia-Jun; Cheng, Pei-Chi; Yeh, Chun-Wei; Chang, Wen-Jung; Chen, Jhy-Der; Wang, Ju-Chun","Roles of halide anions in the structural diversity of Zn(ii) complexes containing the flexible N,N′-di(4-pyridyl)adipoamide ligand","CrystEngComm","2010","12","3","702","","10.1039/b918484h","","","0.71073","MoKα","","0.114","0.0631","","","0.13","0.1514","","","","","","1.034","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212031","7.9172","0.0005","23.3476","0.0015","12.7571","0.0008","90","","100.82","0.001","90","","2316.2","0.3","297","2","297","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H50 Cl4 N10 O6 Zn2 -","- C38 H50 Cl4 N10 O6 Zn2 -","- C76 H100 Cl8 N20 O12 Zn4 -","2","0.5","","Hsu, Yi-Fen; Hsu, Wayne; Wu, Chia-Jun; Cheng, Pei-Chi; Yeh, Chun-Wei; Chang, Wen-Jung; Chen, Jhy-Der; Wang, Ju-Chun","Roles of halide anions in the structural diversity of Zn(ii) complexes containing the flexible N,N′-di(4-pyridyl)adipoamide ligand","CrystEngComm","2010","12","3","702","","10.1039/b918484h","","","0.71073","MoKα","","0.05","0.0362","","","0.1014","0.1082","","","","","","1.057","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212032","7.9082","0.0006","23.8744","0.0016","12.8431","0.0009","90","","99.321","0.001","90","","2392.8","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H50 Br4 N10 O6 Zn2 -","- C38 H50 Br4 N10 O6 Zn2 -","- C76 H100 Br8 N20 O12 Zn4 -","2","0.5","","Hsu, Yi-Fen; Hsu, Wayne; Wu, Chia-Jun; Cheng, Pei-Chi; Yeh, Chun-Wei; Chang, Wen-Jung; Chen, Jhy-Der; Wang, Ju-Chun","Roles of halide anions in the structural diversity of Zn(ii) complexes containing the flexible N,N′-di(4-pyridyl)adipoamide ligand","CrystEngComm","2010","12","3","702","","10.1039/b918484h","","","0.71073","MoKα","","0.0432","0.0314","","","0.0846","0.0881","","","","","","1.06","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212033","14.8259","0.0005","7.8389","0.0002","16.1032","0.0005","90","","108.651","0.0016","90","","1773.21","0.09","273.1","","273","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H54 F N O5 -","- C39 H54 F N O5 -","- C78 H108 F2 N2 O10 -","2","1","","Nakano, Kazunori; Akita, Shigendo; Murai, Taketoshi; Liu, Wen-Tzu; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Selective guest retention in thermal guest-release process in sandwich-type inclusion crystal of cholic acid","CrystEngComm","2010","12","5","1461","","10.1039/b918639e","","","1.54187","CuKα","","","0.0623","","","","0.1922","","","","","","1.143","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212034","10.695","0.001","19.671","0.002","11.881","0.001","90","","98.661","0.001","90","","2471","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 Cd N2 O9 -","- C26 H22 Cd N2 O9 -","- C104 H88 Cd4 N8 O36 -","4","1","","Chen, Lei; Xu, Guang-Juan; Shao, Kui-Zhan; Zhao, Ya-Hui; Yang, Guang-Sheng; Lan, Ya-Qian; Wang, Xin-Long; Xu, Hong-Bin; Su, Zhong-Min","pH-dependent self-assembly of divalent metals with a new ligand containing polycarboxylate: syntheses, crystal structures, luminescent and magnetic properties","CrystEngComm","2010","12","7","2157","","10.1039/b918647f","","","0.71069","MoKα","","0.0305","0.0258","","","0.0611","0.0638","","","","","","1.049","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212035","8.195","0.001","12.631","0.001","14.299","0.001","98.722","0.001","97.515","0.001","93.299","0.001","1445.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H51 Cd3 N6 O18.5 -","- C62 H50 Cd3 N6 O18.5 -","- C62 H50 Cd3 N6 O18.5 -","1","0.5","","Chen, Lei; Xu, Guang-Juan; Shao, Kui-Zhan; Zhao, Ya-Hui; Yang, Guang-Sheng; Lan, Ya-Qian; Wang, Xin-Long; Xu, Hong-Bin; Su, Zhong-Min","pH-dependent self-assembly of divalent metals with a new ligand containing polycarboxylate: syntheses, crystal structures, luminescent and magnetic properties","CrystEngComm","2010","12","7","2157","","10.1039/b918647f","","","0.71069","MoKα","","0.0262","0.0223","","","0.0499","0.052","","","","","","1.019","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212036","11.41","0.002","16.341","0.003","13.791","0.003","90","","98.474","0.004","90","","2543.3","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Co N2 O8 -","- C26 H20 Co N2 O8 -","- C104 H80 Co4 N8 O32 -","4","1","","Chen, Lei; Xu, Guang-Juan; Shao, Kui-Zhan; Zhao, Ya-Hui; Yang, Guang-Sheng; Lan, Ya-Qian; Wang, Xin-Long; Xu, Hong-Bin; Su, Zhong-Min","pH-dependent self-assembly of divalent metals with a new ligand containing polycarboxylate: syntheses, crystal structures, luminescent and magnetic properties","CrystEngComm","2010","12","7","2157","","10.1039/b918647f","","","0.71069","MoKα","","0.0913","0.0523","","","0.1223","0.1414","","","","","","1.016","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212037","8.2632","0.0008","11.0605","0.0011","12.7617","0.0012","80.7092","0.0012","81.0167","0.0013","69.1695","0.0011","1069.64","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H14 Co2 N O10.25 -","- C21 H14 Co2 N O10.25 -","- C42 H28 Co4 N2 O20.5 -","2","1","","Chen, Lei; Xu, Guang-Juan; Shao, Kui-Zhan; Zhao, Ya-Hui; Yang, Guang-Sheng; Lan, Ya-Qian; Wang, Xin-Long; Xu, Hong-Bin; Su, Zhong-Min","pH-dependent self-assembly of divalent metals with a new ligand containing polycarboxylate: syntheses, crystal structures, luminescent and magnetic properties","CrystEngComm","2010","12","7","2157","","10.1039/b918647f","","","0.71073","MoKα","","0.0622","0.0439","","","0.1059","0.1169","","","","","","1.035","","","","has coordinates,has disorder","180451","2020-10-21","18:00:00",""
"7212038","10.001","0.002","20.682","0.003","13.341","0.002","90","","90.525","0.006","90","","2759.3","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H40 N8 O17 Zn2 -","- C56 H40 N8 O17 Zn2 -","- C112 H80 N16 O34 Zn4 -","2","0.5","","Chen, Lei; Xu, Guang-Juan; Shao, Kui-Zhan; Zhao, Ya-Hui; Yang, Guang-Sheng; Lan, Ya-Qian; Wang, Xin-Long; Xu, Hong-Bin; Su, Zhong-Min","pH-dependent self-assembly of divalent metals with a new ligand containing polycarboxylate: syntheses, crystal structures, luminescent and magnetic properties","CrystEngComm","2010","12","7","2157","","10.1039/b918647f","","","0.71069","MoKα","","0.0653","0.0439","","","0.1223","0.1383","","","","","","1.061","","","","has coordinates,has disorder","180451","2020-10-21","18:00:00",""
"7212039","13.345","0.004","16.436","0.002","25.792","0.005","90","","90.127","0.003","90","","5657","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H44 N8 O17 Zn3 -","- C56 H44 N8 O17 Zn3 -","- C224 H176 N32 O68 Zn12 -","4","1","","Chen, Lei; Xu, Guang-Juan; Shao, Kui-Zhan; Zhao, Ya-Hui; Yang, Guang-Sheng; Lan, Ya-Qian; Wang, Xin-Long; Xu, Hong-Bin; Su, Zhong-Min","pH-dependent self-assembly of divalent metals with a new ligand containing polycarboxylate: syntheses, crystal structures, luminescent and magnetic properties","CrystEngComm","2010","12","7","2157","","10.1039/b918647f","","","0.71069","MoKα","","0.0707","0.037","","","0.078","0.0897","","","","","","1.01","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212041","7.2438","0.0005","18.4781","0.0012","19.8909","0.0013","90","","90","","90","","2662.4","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 La N8 O14 -","- C20 H21 La N8 O14 -","- C80 H84 La4 N32 O56 -","4","1","","Khanjani, Somaye; Morsali, Ali; Retailleau, Pascal","Reversible crystal to crystal transformation of a hydrogen-bonded polymer to another in a solid-gas reaction along with morphology change: nano-particles to nano-rods conversion","CrystEngComm","2010","12","7","2173","","10.1039/b918746d","","","0.71073","MoKα","","0.0231","0.0215","","","0.0452","0.0464","","","","","","1.035","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212042","11.245","0.002","18.322","0.003","13.475","0.002","90","","103.161","0.005","90","","2703.3","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 La N9 O15 -","- C20 H18 La N9 O15 -","- C80 H72 La4 N36 O60 -","4","1","","Khanjani, Somaye; Morsali, Ali; Retailleau, Pascal","Reversible crystal to crystal transformation of a hydrogen-bonded polymer to another in a solid-gas reaction along with morphology change: nano-particles to nano-rods conversion","CrystEngComm","2010","12","7","2173","","10.1039/b918746d","","","0.71069","MoKα","","0.0609","0.0328","","","0.0617","0.07","","","","","","1.039","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212043","7.3777","0.0016","10.187","0.002","12.57","0.003","86.803","0.004","81.176","0.004","74.745","0.004","900.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 N7 O2 P -","- C16 H20 N7 O2 P -","- C32 H40 N14 O4 P2 -","2","1","","Chandrasekhar, Vadapalli; Senapati, Tapas","Trapping two different CdCl2 1D-layered structures by a cyclocarbophosphazene-based ligand","CrystEngComm","2010","12","3","682","","10.1039/b918776f","","","0.71073","MoKα","","0.0864","0.0598","","","0.1499","0.2082","","","","","","1.135","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212044","14.196","0.005","15.367","0.005","16.615","0.005","76.167","0.005","87.919","0.005","64.595","0.005","3170","1.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H40 Cd3 Cl6 N14 O5 P2 -","- C32 H40 Cd3 Cl6 N14 O5 P2 -","- C64 H80 Cd6 Cl12 N28 O10 P4 -","2","1","","Chandrasekhar, Vadapalli; Senapati, Tapas","Trapping two different CdCl2 1D-layered structures by a cyclocarbophosphazene-based ligand","CrystEngComm","2010","12","3","682","","10.1039/b918776f","","","0.71069","MoKα","","0.081","0.0647","","","0.1853","0.2121","","","","","","1.093","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212045","13.957","","25.704","","15.827","","90","","93.362","","90","","5668.18","","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H49 Cd2 Cl7 N14 O8 P2 -","- C33 H41 Cd2 Cl7 N14 O8 P2 -","- C132 H164 Cd8 Cl28 N56 O32 P8 -","4","1","","Chandrasekhar, Vadapalli; Senapati, Tapas","Trapping two different CdCl2 1D-layered structures by a cyclocarbophosphazene-based ligand","CrystEngComm","2010","12","3","682","","10.1039/b918776f","","","0.71069","MoKα","","0.1538","0.0829","","","0.249","0.3149","","","","","","1.033","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212046","9.632","0.002","9.769","0.002","10.179","0.003","83.769","0.004","71.882","0.004","83.372","0.004","901.5","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H40 Ag4 Br4 N8 -","- C26 H40 Ag4 Br4 N8 -","- C26 H40 Ag4 Br4 N8 -","1","0.5","","Liu, Qing-Xiang; Yang, Xiao-Qiong; Zhao, Xiao-Jun; Ge, Shu-Sheng; Liu, Shu-Wen; Zang, Yan; Song, Hai-bin; Guo, Jian-Hua; Wang, Xiu-Guang","Macrocyclic dinuclear silver(i) complexes based on bis(N-heterocyclic carbene) ligands: synthesis and structural studies","CrystEngComm","2010","12","7","2245","","10.1039/b919007d","","","0.71073","MoKα","","0.0779","0.064","","","0.1543","0.1636","","","","","","1.092","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212047","11.245","0.002","10.293","0.002","20.831","0.004","90","","92.69","0.03","90","","2408.4","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H24 Ag F6 N4 P -","- C23 H24 Ag F6 N4 P -","- C92 H96 Ag4 F24 N16 P4 -","4","1","","Liu, Qing-Xiang; Yang, Xiao-Qiong; Zhao, Xiao-Jun; Ge, Shu-Sheng; Liu, Shu-Wen; Zang, Yan; Song, Hai-bin; Guo, Jian-Hua; Wang, Xiu-Guang","Macrocyclic dinuclear silver(i) complexes based on bis(N-heterocyclic carbene) ligands: synthesis and structural studies","CrystEngComm","2010","12","7","2245","","10.1039/b919007d","","","0.71073","MoKα","","0.0325","0.028","","","0.0653","0.0678","","","","","","1.052","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212048","10.1278","0.0012","10.3697","0.0012","11.5198","0.0013","87.968","0.002","64.179","0.002","67.365","0.002","992.4","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H44 Ag2 F12 N8 P2 -","- C28 H44 Ag2 F12 N8 P2 -","- C28 H44 Ag2 F12 N8 P2 -","1","0.5","","Liu, Qing-Xiang; Yang, Xiao-Qiong; Zhao, Xiao-Jun; Ge, Shu-Sheng; Liu, Shu-Wen; Zang, Yan; Song, Hai-bin; Guo, Jian-Hua; Wang, Xiu-Guang","Macrocyclic dinuclear silver(i) complexes based on bis(N-heterocyclic carbene) ligands: synthesis and structural studies","CrystEngComm","2010","12","7","2245","","10.1039/b919007d","","","0.71073","MoKα","","0.0367","0.0321","","","0.085","0.0891","","","","","","1.056","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212049","8.531","0.003","12.021","0.003","14.501","0.006","110.703","0.007","92.506","0.007","108.34","0.005","1300.1","0.8","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H52 Ag2 F12 N8 P2 -","- C48 H52 Ag2 F12 N8 P2 -","- C48 H52 Ag2 F12 N8 P2 -","1","0.5","","Liu, Qing-Xiang; Yang, Xiao-Qiong; Zhao, Xiao-Jun; Ge, Shu-Sheng; Liu, Shu-Wen; Zang, Yan; Song, Hai-bin; Guo, Jian-Hua; Wang, Xiu-Guang","Macrocyclic dinuclear silver(i) complexes based on bis(N-heterocyclic carbene) ligands: synthesis and structural studies","CrystEngComm","2010","12","7","2245","","10.1039/b919007d","","","0.71073","MoKα","","0.0577","0.0475","","","0.1308","0.1411","","","","","","1.038","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212050","20.2803","0.001","21.4577","0.0011","11.6771","0.0006","90","","123.745","0.001","90","","4225.4","0.4","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H48 Ag2 F12 N8 P2 -","- C30 H48 Ag2 F12 N8 P2 -","- C120 H192 Ag8 F48 N32 P8 -","4","0.5","","Liu, Qing-Xiang; Yang, Xiao-Qiong; Zhao, Xiao-Jun; Ge, Shu-Sheng; Liu, Shu-Wen; Zang, Yan; Song, Hai-bin; Guo, Jian-Hua; Wang, Xiu-Guang","Macrocyclic dinuclear silver(i) complexes based on bis(N-heterocyclic carbene) ligands: synthesis and structural studies","CrystEngComm","2010","12","7","2245","","10.1039/b919007d","","","0.71073","MoKα","","0.0499","0.0436","","","0.1146","0.1204","","","","","","1.032","","","","has coordinates,has disorder","180451","2020-10-21","18:00:00",""
"7212051","24.699","0.005","18.113","0.004","12.594","0.003","90","","90","","90","","5634","2","296","2","296","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C100 H112 Ag4 F24 N16 O P4 -","- C100 H112 Ag4 F24 N16 O P4 -","- C200 H224 Ag8 F48 N32 O2 P8 -","2","0.25","","Liu, Qing-Xiang; Yang, Xiao-Qiong; Zhao, Xiao-Jun; Ge, Shu-Sheng; Liu, Shu-Wen; Zang, Yan; Song, Hai-bin; Guo, Jian-Hua; Wang, Xiu-Guang","Macrocyclic dinuclear silver(i) complexes based on bis(N-heterocyclic carbene) ligands: synthesis and structural studies","CrystEngComm","2010","12","7","2245","","10.1039/b919007d","","","0.71073","MoKα","","0.1129","0.0911","","","0.1992","0.2122","","","","","","1.083","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7212052","11.8837","0.001","16.5498","0.0015","17.1589","0.0014","90","","97.671","0.002","90","","3344.5","0.5","296","2","296","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C102 H134 Ag4 F24 N16 O P4 S -","- C102 H134 Ag4 F24 N16 O P4 S -","- C102 H134 Ag4 F24 N16 O P4 S -","1","0.25","","Liu, Qing-Xiang; Yang, Xiao-Qiong; Zhao, Xiao-Jun; Ge, Shu-Sheng; Liu, Shu-Wen; Zang, Yan; Song, Hai-bin; Guo, Jian-Hua; Wang, Xiu-Guang","Macrocyclic dinuclear silver(i) complexes based on bis(N-heterocyclic carbene) ligands: synthesis and structural studies","CrystEngComm","2010","12","7","2245","","10.1039/b919007d","","","0.71073","MoKα","","0.0915","0.0548","","","0.1685","0.1883","","","","","","0.958","","","","has coordinates,has disorder","180451","2020-10-21","18:00:00",""
"7212053","16.2792","0.0017","26.712","0.003","17.4205","0.0019","90","","90","","90","","7575.3","1.4","296","2","296","2","","","","","","","","7","C m c m","-C 2c 2","63","","","","- C31.5 H30 Ag F6 N4 O0.5 P -","- C31.5 H28 Ag F6 N4 O0.5 P -","- C252 H224 Ag8 F48 N32 O4 P8 -","8","0.5","","Liu, Qing-Xiang; Yang, Xiao-Qiong; Zhao, Xiao-Jun; Ge, Shu-Sheng; Liu, Shu-Wen; Zang, Yan; Song, Hai-bin; Guo, Jian-Hua; Wang, Xiu-Guang","Macrocyclic dinuclear silver(i) complexes based on bis(N-heterocyclic carbene) ligands: synthesis and structural studies","CrystEngComm","2010","12","7","2245","","10.1039/b919007d","","","0.71073","MoKα","","0.1288","0.0939","","","0.2807","0.3366","","","","","","1.269","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7212054","12.584","0.002","16.704","0.003","17.665","0.003","90.089","0.003","105.29","0.003","106.881","0.003","3415.2","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H72 Co4 N8 O16 -","- C80 H72 Co4 N8 O16 -","- C160 H144 Co8 N16 O32 -","2","1","","Zheng, Yan-Zhen; Speldrich, Manfred; Kögerler, Paul; Chen, Xiao-Ming","The role of π‒π stacking in stabilizing a,a-trans-cyclohexane-1,4-dicarboxylate in a 2D Co(ii) network","CrystEngComm","2010","12","4","1057","","10.1039/b919029e","","","0.71073","MoKα","","0.0741","0.0531","","","0.1394","0.1535","","","","","","1.086","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212055","7.641","0.002","13.15","0.004","18.236","0.005","77.837","0.014","80.45","0.014","80.031","0.015","1748.1","0.9","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H38 Nd2 O34 -","- C21 H28 Nd2 O34 -","- C42 H56 Nd4 O68 -","2","1","","Zhang, Zhen-Jie; Zhang, Shi-Yuan; Li, Yi; Niu, Zheng; Shi, Wei; Cheng, Peng","Systematic investigation of the lanthanide coordination polymers with γ-pyrone-2,6-dicarboxylic acid","CrystEngComm","2010","12","6","1809","","10.1039/b919056b","","","0.71073","MoKα","","0.0691","0.0459","","","0.1073","0.1274","","","","","","1.083","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212056","9.4966","0.0019","9.602","0.0019","10.144","0.002","69.48","0.03","68.52","0.03","83.79","0.03","805.9","0.4","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H30 Eu2 O30 -","- C21 H22 Eu2 O30 -","- C21 H22 Eu2 O30 -","1","0.5","","Zhang, Zhen-Jie; Zhang, Shi-Yuan; Li, Yi; Niu, Zheng; Shi, Wei; Cheng, Peng","Systematic investigation of the lanthanide coordination polymers with γ-pyrone-2,6-dicarboxylic acid","CrystEngComm","2010","12","6","1809","","10.1039/b919056b","","","0.71073","MoKα","","0.0694","0.0653","","","0.1668","0.1707","","","","","","1.112","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212057","9.507","0.002","9.649","0.002","10.1681","0.0018","69.731","0.011","68.642","0.009","84.062","0.012","814.6","0.3","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H30 Gd2 O30 -","- C21 H22 Gd2 O30 -","- C21 H22 Gd2 O30 -","1","0.5","","Zhang, Zhen-Jie; Zhang, Shi-Yuan; Li, Yi; Niu, Zheng; Shi, Wei; Cheng, Peng","Systematic investigation of the lanthanide coordination polymers with γ-pyrone-2,6-dicarboxylic acid","CrystEngComm","2010","12","6","1809","","10.1039/b919056b","","","0.7107","MoKα","","0.0265","0.0231","","","0.0553","0.0564","","","","","","1.029","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212058","9.508","0.004","9.648","0.004","10.153","0.003","69.65","0.011","68.52","0.012","83.93","0.013","812.3","0.5","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H30 O30 Tb2 -","- C21 H22 O30.5 Tb2 -","- C21 H22 O30.5 Tb2 -","1","0.5","","Zhang, Zhen-Jie; Zhang, Shi-Yuan; Li, Yi; Niu, Zheng; Shi, Wei; Cheng, Peng","Systematic investigation of the lanthanide coordination polymers with γ-pyrone-2,6-dicarboxylic acid","CrystEngComm","2010","12","6","1809","","10.1039/b919056b","","","0.71073","MoKα","","0.0452","0.0403","","","0.0925","0.0948","","","","","","1.035","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212059","9.4832","0.0019","9.626","0.0019","10.142","0.002","69.53","0.03","68.52","0.03","83.76","0.03","806.9","0.4","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H30 Dy2 O30 -","- C21 H22 Dy2 O30 -","- C21 H22 Dy2 O30 -","1","0.5","","Zhang, Zhen-Jie; Zhang, Shi-Yuan; Li, Yi; Niu, Zheng; Shi, Wei; Cheng, Peng","Systematic investigation of the lanthanide coordination polymers with γ-pyrone-2,6-dicarboxylic acid","CrystEngComm","2010","12","6","1809","","10.1039/b919056b","","","0.71073","MoKα","","0.0454","0.0405","","","0.0965","0.0991","","","","","","1.016","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212060","9.4966","0.0019","9.602","0.0019","10.144","0.002","69.48","0.03","68.52","0.03","83.79","0.03","805.9","0.4","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H30 Ho2 O30 -","- C21 H22 Ho2 O30 -","- C21 H22 Ho2 O30 -","1","0.5","","Zhang, Zhen-Jie; Zhang, Shi-Yuan; Li, Yi; Niu, Zheng; Shi, Wei; Cheng, Peng","Systematic investigation of the lanthanide coordination polymers with γ-pyrone-2,6-dicarboxylic acid","CrystEngComm","2010","12","6","1809","","10.1039/b919056b","","","0.71073","MoKα","","0.0704","0.0642","","","0.1588","0.1611","","","","","","1.046","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212061","6.1814","0.0004","10.0963","0.0007","10.8666","0.0007","97.249","0.006","95.999","0.005","103.84","0.006","646.81","0.08","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H24 Ho2 O26 -","- C16 H24 Ho2 O26 -","- C16 H24 Ho2 O26 -","1","0.5","","Zhang, Zhen-Jie; Zhang, Shi-Yuan; Li, Yi; Niu, Zheng; Shi, Wei; Cheng, Peng","Systematic investigation of the lanthanide coordination polymers with γ-pyrone-2,6-dicarboxylic acid","CrystEngComm","2010","12","6","1809","","10.1039/b919056b","","","0.71073","MoKα","","0.0205","0.0197","","","0.0492","0.0496","","","","","","1.072","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212062","6.3385","0.0013","10.34","0.002","13.7","0.003","108.6","0.03","94.42","0.03","106.38","0.03","802.6","0.4","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H32 Er2 O30 -","- C16 H24 Er2 O30.44 -","- C16 H24 Er2 O30.44 -","1","0.5","","Zhang, Zhen-Jie; Zhang, Shi-Yuan; Li, Yi; Niu, Zheng; Shi, Wei; Cheng, Peng","Systematic investigation of the lanthanide coordination polymers with γ-pyrone-2,6-dicarboxylic acid","CrystEngComm","2010","12","6","1809","","10.1039/b919056b","","","0.71073","MoKα","","0.0272","0.0255","","","0.0653","0.0665","","","","","","1.048","","","","has coordinates,has disorder","180451","2020-10-21","18:00:00",""
"7212063","6.2356","0.0012","10.183","0.002","13.466","0.003","108.55","0.03","94.37","0.03","106.45","0.03","764.3","0.4","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H32 O30 Tm2 -","- C16 H8 O30 Tm2 -","- C16 H8 O30 Tm2 -","1","0.5","","Zhang, Zhen-Jie; Zhang, Shi-Yuan; Li, Yi; Niu, Zheng; Shi, Wei; Cheng, Peng","Systematic investigation of the lanthanide coordination polymers with γ-pyrone-2,6-dicarboxylic acid","CrystEngComm","2010","12","6","1809","","10.1039/b919056b","","","0.71073","MoKα","","0.0215","0.0203","","","0.0551","0.0556","","","","","","1.073","","","","has coordinates,has disorder","180451","2020-10-21","18:00:00",""
"7212064","7.4895","0.0015","11.093","0.002","16.875","0.003","86.68","0.03","80.69","0.03","77.65","0.03","1351.1","0.5","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H26 O27 Yb2 -","- C16 H22 O27 Yb2 -","- C32 H44 O54 Yb4 -","2","1","","Zhang, Zhen-Jie; Zhang, Shi-Yuan; Li, Yi; Niu, Zheng; Shi, Wei; Cheng, Peng","Systematic investigation of the lanthanide coordination polymers with γ-pyrone-2,6-dicarboxylic acid","CrystEngComm","2010","12","6","1809","","10.1039/b919056b","","","0.71073","MoKα","","0.0414","0.036","","","0.1005","0.1027","","","","","","1.065","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212065","19.441","0.002","10.0363","0.0012","4.319","0.0005","90","","90","","90","","842.7","0.16","113","2","113","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C7 H4 Ba O7 -","- C7 H4 Ba O7 -","- C28 H16 Ba4 O28 -","4","0.5","","Zhang, Zhen-Jie; Zhang, Shi-Yuan; Li, Yi; Niu, Zheng; Shi, Wei; Cheng, Peng","Systematic investigation of the lanthanide coordination polymers with γ-pyrone-2,6-dicarboxylic acid","CrystEngComm","2010","12","6","1809","","10.1039/b919056b","","","0.71073","MoKα","","0.0206","0.0184","","","0.0406","0.0412","","","","","","1.179","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212066","14.744","0.0003","13.7417","0.0003","16.812","0.0004","90","","90","","90","","3406.24","0.13","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H18 Cl2 N4 O8 -","- C11 H18 Cl2 N4 O8 -","- C88 H144 Cl16 N32 O64 -","8","1","","Basu, Tannistha; Mondal, Raju","Construction of first anion-assisted helix inside a helix network","CrystEngComm","2010","12","2","366","","10.1039/b919235m","","","0.71073","MoKα","","0.0697","0.0488","","","0.1342","0.1478","","","","","","1.047","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212067","7.2653","0.0002","8.4142","0.0002","9.8774","0.0002","99.363","0.001","101.806","0.001","106.777","0.001","549.82","0.02","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","","","- C11 H16 N4 -","- C11 H16 N4 -","- C22 H32 N8 -","2","1","","Basu, Tannistha; Mondal, Raju","Construction of first anion-assisted helix inside a helix network","CrystEngComm","2010","12","2","366","","10.1039/b919235m","","","0.71073","MoKα","","0.075","0.0577","","","0.1535","0.1629","","","","","","1.052","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212068","8.2313","0.0003","16.1062","0.0007","17.0904","0.0007","90","","90","","90","","2265.76","0.16","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C11 H16 N4 -","- C11 H16 N4 -","- C88 H128 N32 -","8","1","","Basu, Tannistha; Mondal, Raju","Construction of first anion-assisted helix inside a helix network","CrystEngComm","2010","12","2","366","","10.1039/b919235m","","","0.71073","MoKα","","0.0571","0.0457","","","0.1264","0.1337","","","","","","1.117","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212069","15.3698","0.0009","13.6543","0.0008","18.7565","0.0012","90","","90","","90","","3936.3","0.4","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H18 F6 N4 O4 -","- C15 H18 F6 N4 O4 -","- C120 H144 F48 N32 O32 -","8","1","","Basu, Tannistha; Mondal, Raju","Construction of first anion-assisted helix inside a helix network","CrystEngComm","2010","12","2","366","","10.1039/b919235m","","","0.71073","MoKα","","0.0796","0.0586","","","0.1563","0.1714","","","","","","1.041","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212070","8.884","0.0007","13.093","0.0006","13.1346","0.0004","90","","90","","90","","1527.79","0.15","293","2","293","2","","","","","","","","5","I 21 21 21","I 2b 2c","24","","","","- C7 H11 La N10 O6 -","- C7 H11 La N10 O6 -","- C28 H44 La4 N40 O24 -","4","0.5","","Rodríguez-Diéguez, A.; Salinas-Castillo, A.; Sironi, A.; Seco, J. M.; Colacio, E.","A chiral diamondoid 3D lanthanum metal‒organic framework displaying blue-greenish long lifetime photoluminescence emission","CrystEngComm","2010","12","6","1876","","10.1039/b919243c","","","0.71073","MoKα","","0.0128","0.0125","","","0.0297","0.0298","","","","","","1.061","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212071","19.183","0.004","10.025","0.002","6.6486","0.0015","90","","105.274","0.004","90","","1233.4","0.5","273","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C6 H6 Cu O2 -","- C6 H6 Cu O2 -","- C48 H48 Cu8 O16 -","8","1","","Hu, Tuoping; He, Haiyan; Dai, Fangna; Zhao, Xiaoliang; Sun, Daofeng","A new Cu(i) coordination polymer with the CdSO4 structure type prepared via biphasic solvothermal reaction","CrystEngComm","2010","12","7","2018","","10.1039/b919342c","","","0.71073","MoKα","","0.036","0.0277","","","0.0696","0.0759","","","","","","1.03","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212072","7.6983","0.0008","12.266","0.002","15.0185","0.0017","90","","101.447","0.009","90","","1389.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1-ethyl-3-methylimidazolium hexachloridophosphate","1-ethyl-3-methylimidazolium hexachloridophosphate","","- C6 H11 Cl6 N2 P -","- C6 H11 Cl6 N2 P -","- C24 H44 Cl24 N8 P4 -","4","1","","Gjikaj, Mimoza; Leye, Johann-Christian; Xie, Tao; Brockner, Wolfgang","Structural and spectroscopic elucidation of imidazolium and pyridinium based hexachloridophosphates and niobates","CrystEngComm","2010","12","5","1474","","10.1039/b919368e","","","0.71073","MoKα","","0.0384","0.0322","","","0.0723","0.075","","","","","","1.102","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212073","20.1861","0.0014","7.0842","0.0006","20.5488","0.0013","90","","98.455","0.005","90","","2906.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1-ethyl-3-methylimidazolium hexachloridoniobate","1-ethyl-3-methylimidazolium hexachloridoniobate","","- C6 H11 Cl6 N2 Nb -","- C6 H11 Cl6 N2 Nb -","- C48 H88 Cl48 N16 Nb8 -","8","2","","Gjikaj, Mimoza; Leye, Johann-Christian; Xie, Tao; Brockner, Wolfgang","Structural and spectroscopic elucidation of imidazolium and pyridinium based hexachloridophosphates and niobates","CrystEngComm","2010","12","5","1474","","10.1039/b919368e","","","0.71073","MoKα","","0.0387","0.0316","","","0.0728","0.0766","","","","","","1.092","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212074","14.6807","0.0016","7.2421","0.0007","16.1568","0.0017","90","","101.548","0.009","90","","1683","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1-butyl-4-methylpyridinium hexachloridophosphate","1-butyl-4-methylpyridinium hexachloridophosphate","","- C10 H16 Cl6 N P -","- C10 H16 Cl6 N P -","- C40 H64 Cl24 N4 P4 -","4","1","","Gjikaj, Mimoza; Leye, Johann-Christian; Xie, Tao; Brockner, Wolfgang","Structural and spectroscopic elucidation of imidazolium and pyridinium based hexachloridophosphates and niobates","CrystEngComm","2010","12","5","1474","","10.1039/b919368e","","","0.71073","MoKα","","0.0593","0.0475","","","0.0992","0.106","","","","","","1.119","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212075","15.1731","0.0019","7.3248","0.0007","16.193","0.0018","90","","101.85","0.009","90","","1761.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1-butyl-4-methylpyridinium hexachloridoniobate","1-butyl-4-methylpyridinium hexachloridoniobate","","- C10 H16 Cl6 N Nb -","- C10 H16 Cl6 N Nb -","- C40 H64 Cl24 N4 Nb4 -","4","1","","Gjikaj, Mimoza; Leye, Johann-Christian; Xie, Tao; Brockner, Wolfgang","Structural and spectroscopic elucidation of imidazolium and pyridinium based hexachloridophosphates and niobates","CrystEngComm","2010","12","5","1474","","10.1039/b919368e","","","0.71073","MoKα","","0.0464","0.035","","","0.0763","0.0809","","","","","","1.04","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212076","10.3957","0.0011","23.05","0.002","14.9737","0.0016","90","","102.278","0.008","90","","3505.9","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1-butyl-3-methylpyridinium hexachloridoniobate","1-butyl-3-methylpyridinium hexachloridoniobate","","- C10 H16 Cl6 N Nb -","- C10 H16 Cl6 N Nb -","- C80 H128 Cl48 N8 Nb8 -","8","2","","Gjikaj, Mimoza; Leye, Johann-Christian; Xie, Tao; Brockner, Wolfgang","Structural and spectroscopic elucidation of imidazolium and pyridinium based hexachloridophosphates and niobates","CrystEngComm","2010","12","5","1474","","10.1039/b919368e","","","0.71073","MoKα","","0.0626","0.0423","","","0.0878","0.0953","","","","","","1.077","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212077","31.634","0.009","9.214","0.003","8.328","0.002","90","","103.602","0.005","90","","2359.3","1.2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H13.84 Cu2 N4 O10.92 S -","- C16 H13.84 Cu2 N4 O10.92 S -","- C64 H55.36 Cu8 N16 O43.68 S4 -","4","0.5","","Wen, Gui-Lin; Wang, Yao-Yu; Zhang, Wei-Hong; Ren, Chen; Liu, Rui-Ting; Shi, Qi-Zhen","Self-assembled coordination polymers of V-shaped bis(pyridyl)thiadiazole dependent upon the spacer length and flexibility of aliphatic dicarboxylate ligands","CrystEngComm","2010","12","4","1238","","10.1039/b919381m","","","0.71073","MoKα","","0.0761","0.0517","","","0.1705","0.1812","","","","","","1.051","","","","has coordinates,has disorder","180451","2020-10-21","18:00:00",""
"7212078","8.9863","0.0017","10.0916","0.0018","11.218","0.002","90.343","0.003","108.875","0.003","109.516","0.003","899.9","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H16 Cu N4 O7 S -","- C15 H16 Cu N4 O7 S -","- C30 H32 Cu2 N8 O14 S2 -","2","1","","Wen, Gui-Lin; Wang, Yao-Yu; Zhang, Wei-Hong; Ren, Chen; Liu, Rui-Ting; Shi, Qi-Zhen","Self-assembled coordination polymers of V-shaped bis(pyridyl)thiadiazole dependent upon the spacer length and flexibility of aliphatic dicarboxylate ligands","CrystEngComm","2010","12","4","1238","","10.1039/b919381m","","","0.71073","MoKα","","0.0498","0.0376","","","0.0998","0.112","","","","","","0.999","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212079","15.18","0.008","12.571","0.007","8.951","0.005","90","","95.759","0.012","90","","1699.5","1.6","292","2","292","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 Cu N4 O4 S -","- C17 H14 Cu N4 O4 S -","- C68 H56 Cu4 N16 O16 S4 -","4","1","","Wen, Gui-Lin; Wang, Yao-Yu; Zhang, Wei-Hong; Ren, Chen; Liu, Rui-Ting; Shi, Qi-Zhen","Self-assembled coordination polymers of V-shaped bis(pyridyl)thiadiazole dependent upon the spacer length and flexibility of aliphatic dicarboxylate ligands","CrystEngComm","2010","12","4","1238","","10.1039/b919381m","","","0.71073","MoKα","","0.1627","0.0739","","","0.1789","0.2333","","","","","","1.055","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212080","9.124","0.002","9.649","0.002","11.613","0.003","91.85","0.004","104.821","0.004","112.236","0.004","905.3","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H16 Cu N4 O4 S -","- C18 H16 Cu N4 O4 S -","- C36 H32 Cu2 N8 O8 S2 -","2","1","","Wen, Gui-Lin; Wang, Yao-Yu; Zhang, Wei-Hong; Ren, Chen; Liu, Rui-Ting; Shi, Qi-Zhen","Self-assembled coordination polymers of V-shaped bis(pyridyl)thiadiazole dependent upon the spacer length and flexibility of aliphatic dicarboxylate ligands","CrystEngComm","2010","12","4","1238","","10.1039/b919381m","","","0.71073","MoKα","","0.0887","0.048","","","0.115","0.1385","","","","","","0.841","","","","has coordinates,has disorder","180451","2020-10-21","18:00:00",""
"7212081","15.945","0.004","14.811","0.004","15.159","0.004","90","","90","","90","","3580","1.6","296","2","296","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C32 H26 Cu2 N8 O11 S2 -","- C32 H26 Cu2 N8 O11 S2 -","- C128 H104 Cu8 N32 O44 S8 -","4","0.5","","Wen, Gui-Lin; Wang, Yao-Yu; Zhang, Wei-Hong; Ren, Chen; Liu, Rui-Ting; Shi, Qi-Zhen","Self-assembled coordination polymers of V-shaped bis(pyridyl)thiadiazole dependent upon the spacer length and flexibility of aliphatic dicarboxylate ligands","CrystEngComm","2010","12","4","1238","","10.1039/b919381m","","","0.71073","MoKα","","0.1043","0.0446","","","0.0926","0.1005","","","","","","1.055","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212082","29.719","0.005","7.4493","0.0013","7.5474","0.0013","90","","90","","90","","1670.9","0.5","291","2","291","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C15 H12 Cd N4 O5 S -","- C15 H12 Cd N4 O5 S -","- C60 H48 Cd4 N16 O20 S4 -","4","1","","Wen, Gui-Lin; Wang, Yao-Yu; Zhang, Wei-Hong; Ren, Chen; Liu, Rui-Ting; Shi, Qi-Zhen","Self-assembled coordination polymers of V-shaped bis(pyridyl)thiadiazole dependent upon the spacer length and flexibility of aliphatic dicarboxylate ligands","CrystEngComm","2010","12","4","1238","","10.1039/b919381m","","","0.71073","MoKα","","0.0531","0.0431","","","0.1179","0.126","","","","","","1.07","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212083","10.5795","0.0007","11.5813","0.0008","13.6314","0.0009","90","","105.936","0.001","90","","1605.99","0.19","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 Cd N4 O4 S -","- C16 H12 Cd N4 O4 S -","- C64 H48 Cd4 N16 O16 S4 -","4","1","","Wen, Gui-Lin; Wang, Yao-Yu; Zhang, Wei-Hong; Ren, Chen; Liu, Rui-Ting; Shi, Qi-Zhen","Self-assembled coordination polymers of V-shaped bis(pyridyl)thiadiazole dependent upon the spacer length and flexibility of aliphatic dicarboxylate ligands","CrystEngComm","2010","12","4","1238","","10.1039/b919381m","","","0.71073","MoKα","","0.0226","0.0207","","","0.0597","0.0608","","","","","","1.01","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212084","8.8599","0.0019","9.647","0.002","11.62","0.003","87.575","0.004","80.901","0.004","70.326","0.003","923.4","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H14 Cd N4 O5 S -","- C17 H14 Cd N4 O5 S -","- C34 H28 Cd2 N8 O10 S2 -","2","1","","Wen, Gui-Lin; Wang, Yao-Yu; Zhang, Wei-Hong; Ren, Chen; Liu, Rui-Ting; Shi, Qi-Zhen","Self-assembled coordination polymers of V-shaped bis(pyridyl)thiadiazole dependent upon the spacer length and flexibility of aliphatic dicarboxylate ligands","CrystEngComm","2010","12","4","1238","","10.1039/b919381m","","","0.71073","MoKα","","0.0737","0.0494","","","0.1274","0.1721","","","","","","1.058","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212085","31.025","0.005","7.5923","0.0013","15.377","0.003","90","","90","","90","","3622.1","1.1","294","2","294","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C32 H24 Cd2 N8 O10 S2 -","- C32 H24 Cd2 N8 O10 S2 -","- C128 H96 Cd8 N32 O40 S8 -","4","1","","Wen, Gui-Lin; Wang, Yao-Yu; Zhang, Wei-Hong; Ren, Chen; Liu, Rui-Ting; Shi, Qi-Zhen","Self-assembled coordination polymers of V-shaped bis(pyridyl)thiadiazole dependent upon the spacer length and flexibility of aliphatic dicarboxylate ligands","CrystEngComm","2010","12","4","1238","","10.1039/b919381m","","","0.71073","MoKα","","0.0714","0.0459","","","0.1166","0.1265","","","","","","0.994","","","","has coordinates,has disorder","180451","2020-10-21","18:00:00",""
"7212086","7.1079","0.0015","7.6454","0.0015","16.848","0.003","79.895","0.003","85.666","0.004","85.1","0.004","896.4","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H14 Cd N4 O6 S -","- C16 H14 Cd N4 O6 S -","- C32 H28 Cd2 N8 O12 S2 -","2","1","","Wen, Gui-Lin; Wang, Yao-Yu; Zhang, Wei-Hong; Ren, Chen; Liu, Rui-Ting; Shi, Qi-Zhen","Self-assembled coordination polymers of V-shaped bis(pyridyl)thiadiazole dependent upon the spacer length and flexibility of aliphatic dicarboxylate ligands","CrystEngComm","2010","12","4","1238","","10.1039/b919381m","","","0.71073","MoKα","","0.0712","0.0472","","","0.1147","0.1587","","","","","","1.045","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212087","4.6363","0.0003","10.3293","0.0009","19.5855","0.0016","90","","93.632","0.005","90","","936.06","0.13","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","2-acetyloxy-4-methylbenzoic acid","2-acetyloxy-4-methylbenzoic acid","","- C10 H10 O4 -","- C10 H10 O4 -","- C40 H40 O16 -","4","1","","Hursthouse, Michael B.; Montis, Riccardo; Tizzard, Graham J.","Intriguing relationships and associations in the crystal structures of a family of substituted aspirin molecules","CrystEngComm","2010","12","3","953","","10.1039/b919538f","","","0.71073","MoKα","","0.1242","0.066","","","0.1464","0.1709","","","","","","1.055","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212088","10.3912","0.0004","4.7265","0.0001","19.5116","0.0009","90","","96.383","0.002","90","","952.35","0.06","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-acetyloxy-5-bromobenzoic acid","2-acetyloxy-5-bromobenzoic acid","","- C9 H7 Br O4 -","- C9 H7 Br O4 -","- C36 H28 Br4 O16 -","4","1","","Hursthouse, Michael B.; Montis, Riccardo; Tizzard, Graham J.","Intriguing relationships and associations in the crystal structures of a family of substituted aspirin molecules","CrystEngComm","2010","12","3","953","","10.1039/b919538f","","","0.71073","MoKα","","0.0567","0.0347","","","0.0676","0.0757","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212089","10.1217","0.0004","4.7359","0.0001","19.4447","0.0007","90","","96.219","0.002","90","","926.6","0.05","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-acetyloxy-5-chlorobenzoic acid","2-acetyloxy-5-chlorobenzoic acid","","- C9 H7 Cl O4 -","- C9 H7 Cl O4 -","- C36 H28 Cl4 O16 -","4","1","","Hursthouse, Michael B.; Montis, Riccardo; Tizzard, Graham J.","Intriguing relationships and associations in the crystal structures of a family of substituted aspirin molecules","CrystEngComm","2010","12","3","953","","10.1039/b919538f","","","0.71073","MoKα","","0.0567","0.0387","","","0.0889","0.0973","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212090","9.7655","0.0005","4.8919","0.0002","18.3338","0.001","90","","104.739","0.003","90","","847.02","0.07","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-acetyloxy-5-fluorobenzoic acid","2-acetyloxy-5-fluorobenzoic acid","","- C9 H7 F O4 -","- C9 H7 F O4 -","- C36 H28 F4 O16 -","4","1","","Hursthouse, Michael B.; Montis, Riccardo; Tizzard, Graham J.","Intriguing relationships and associations in the crystal structures of a family of substituted aspirin molecules","CrystEngComm","2010","12","3","953","","10.1039/b919538f","","","0.71073","MoKα","","0.0726","0.0445","","","0.1056","0.1226","","","","","","0.981","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212091","10.7838","0.0005","4.7168","0.0002","19.5502","0.0008","90","","96.63","0.002","90","","987.77","0.07","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-acetyloxy-5-iodobenzoic acid","2-acetyloxy-5-iodobenzoic acid","","- C9 H7 I O4 -","- C9 H7 I O4 -","- C36 H28 I4 O16 -","4","1","","Hursthouse, Michael B.; Montis, Riccardo; Tizzard, Graham J.","Intriguing relationships and associations in the crystal structures of a family of substituted aspirin molecules","CrystEngComm","2010","12","3","953","","10.1039/b919538f","","","0.71073","MoKα","","0.0457","0.0368","","","0.0752","0.0806","","","","","","1.099","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212092","10.1301","0.0003","4.8831","0.0001","18.9682","0.0007","90","","100.696","0.002","90","","921.98","0.05","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","2-acetyloxy-5-methylbenzoic acid","2-acetyloxy-5-methylbenzoic acid","","- C10 H10 O4 -","- C10 H10 O4 -","- C40 H40 O16 -","4","1","","Hursthouse, Michael B.; Montis, Riccardo; Tizzard, Graham J.","Intriguing relationships and associations in the crystal structures of a family of substituted aspirin molecules","CrystEngComm","2010","12","3","953","","10.1039/b919538f","","","0.71073","MoKα","","0.0671","0.0463","","","0.107","0.1193","","","","","","1.02","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212093","9.9166","0.0003","5.0444","0.0001","18.6808","0.0005","90","","99.686","0.001","90","","921.15","0.04","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-acetyloxy-5-nitrobenzoic acid","2-acetyloxy-5-nitrobenzoic acid","","- C9 H7 N O6 -","- C9 H7 N O6 -","- C36 H28 N4 O24 -","4","1","","Hursthouse, Michael B.; Montis, Riccardo; Tizzard, Graham J.","Intriguing relationships and associations in the crystal structures of a family of substituted aspirin molecules","CrystEngComm","2010","12","3","953","","10.1039/b919538f","","","0.71073","MoKα","","0.0436","0.036","","","0.0936","0.0999","","","","","","1.071","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212096","18.239","0.002","7.3435","0.0008","25.197","0.003","90","","101.957","0.003","90","","3301.6","0.6","292","2","292","2","","","","","","","see text","5","C 1 2/c 1","-C 2yc","15","4-(4-Methoxy-phenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro- pyrimidine-5-carboxylic acid ethyl ester","4-(4-Methoxy-phenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-pyrimidine-5- carboxylic acid ethyl ester","","- C15 H18 N2 O3 S -","- C15 H18 N2 O3 S -","- C120 H144 N16 O24 S8 -","8","1","","Nayak, Susanta K.; Venugopala, K. N.; Chopra, Deepak; Vasu,; Row, T. N. Guru","Effect of substitution on molecular conformation and packing features in a series of aryl substituted ethyl-6-methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylates","CrystEngComm","2010","12","4","1205","","10.1039/b919648j","","x-ray","0.71073","MoKα","","0.0525","0.0468","","","0.1376","0.1418","","","","","","1.066","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212097","7.347","0.002","9.542","0.003","11.327","0.004","71.093","0.005","88.642","0.005","69.792","0.005","701.5","0.4","292","2","292","2","","","","","","","see text","6","P -1","-P 1","2","4-(4-Fluoro-phenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro- pyrimidine-5-carboxylic","4-(4-Fluoro-phenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid ethyl ester","","- C14 H15 F N2 O2 S -","- C14 H15 F N2 O2 S -","- C28 H30 F2 N4 O4 S2 -","2","1","","Nayak, Susanta K.; Venugopala, K. N.; Chopra, Deepak; Vasu,; Row, T. N. Guru","Effect of substitution on molecular conformation and packing features in a series of aryl substituted ethyl-6-methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylates","CrystEngComm","2010","12","4","1205","","10.1039/b919648j","","x-ray","0.71073","MoKα","","0.0465","0.0413","","","0.1121","0.1156","","","","","","1.036","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212098","7.355","0.0009","9.4652","0.0012","12.2073","0.0016","74.218","0.002","88.672","0.002","69.844","0.002","765.37","0.17","292","2","292","2","","","","","","","see text","5","P -1","-P 1","2","6-Methyl-2-thioxo-4-p-tolyl-1,2,3,4-tetrahydro-pyrimidine-5- carboxylic acid ethy","6-Methyl-2-thioxo-4-p-tolyl-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid ethyl ester","","- C15 H18 N2 O2 S -","- C15 H18 N2 O2 S -","- C30 H36 N4 O4 S2 -","2","1","","Nayak, Susanta K.; Venugopala, K. N.; Chopra, Deepak; Vasu,; Row, T. N. Guru","Effect of substitution on molecular conformation and packing features in a series of aryl substituted ethyl-6-methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylates","CrystEngComm","2010","12","4","1205","","10.1039/b919648j","","x-ray","0.71073","MoKα","","0.0497","0.0418","","","0.1113","0.1158","","","","","","1.068","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212099","7.294","0.003","10.43","0.004","10.634","0.004","107.6","0.006","90.61","0.006","107.82","0.006","729.4","0.5","292","2","292","2","","","","","","","see text","6","P -1","-P 1","2","4-(3-Chloro-phenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro- pyrimidine-5-carboxylic","4-(3-Chloro-phenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid ethyl ester","","- C14 H15 Cl N2 O2 S -","- C14 H15 Cl N2 O2 S -","- C28 H30 Cl2 N4 O4 S2 -","2","1","","Nayak, Susanta K.; Venugopala, K. N.; Chopra, Deepak; Vasu,; Row, T. N. Guru","Effect of substitution on molecular conformation and packing features in a series of aryl substituted ethyl-6-methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylates","CrystEngComm","2010","12","4","1205","","10.1039/b919648j","","x-ray","0.71073","MoKα","","0.0747","0.0653","","","0.1745","0.1844","","","","","","1.091","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212100","8.0235","0.0003","10.6374","0.0005","11.8171","0.0004","84.489","0.003","74.115","0.003","69.045","0.004","905.9","0.07","292","2","292","2","","","","","","","see text","5","P -1","-P 1","2","4-(2,3,4-trimethoxy-phenyl)-6-methyl-2-thioxo-1,2,3,4- tetrahydro-pyrimidine-5-carboxylic acid ethyl ester","4-(2,3,4-trimethoxy-phenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-pyrimidine-5- carboxylic acid ethyl ester","","- C17 H22 N2 O5 S -","- C17 H22 N2 O5 S -","- C34 H44 N4 O10 S2 -","2","1","","Nayak, Susanta K.; Venugopala, K. N.; Chopra, Deepak; Vasu,; Row, T. N. Guru","Effect of substitution on molecular conformation and packing features in a series of aryl substituted ethyl-6-methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylates","CrystEngComm","2010","12","4","1205","","10.1039/b919648j","","x-ray","0.71073","MoKα","","0.0457","0.0372","","","0.1053","0.1084","","","","","","1.115","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212101","11.534","0.005","12.54","0.005","12.618","0.005","81.012","0.005","64.177","0.005","64.737","0.005","1484.7","1.1","292","2","292","2","","","","","","","see text","6","P -1","-P 1","2","4-(2-chloro-phenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro- pyrimidine-5-carboxylic acid ethyl ester","4-(2-chloro-phenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-pyrimidine-5- carboxylic acid ethyl ester","","- C14 H15 Cl N2 O2 S -","- C14 H15 Cl N2 O2 S -","- C56 H60 Cl4 N8 O8 S4 -","4","2","","Nayak, Susanta K.; Venugopala, K. N.; Chopra, Deepak; Vasu,; Row, T. N. Guru","Effect of substitution on molecular conformation and packing features in a series of aryl substituted ethyl-6-methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylates","CrystEngComm","2010","12","4","1205","","10.1039/b919648j","","","0.7107","MoKα","","0.1149","0.0462","","","0.0834","0.0944","","","","","","0.864","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212102","12.286","0.002","8.2534","0.001","15.956","0.003","90","","106.98","0.02","90","","1547.4","0.5","292","2","292","2","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","4-(3-Methoxy-phenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro- pyrimidine-5-carboxylic acid ethyl ester","4-(3-Methoxy-phenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-pyrimidine-5- carboxylic acid ethyl ester","","- C15 H18 N2 O3 S -","- C15 H18 N2 O3 S -","- C60 H72 N8 O12 S4 -","4","1","","Nayak, Susanta K.; Venugopala, K. N.; Chopra, Deepak; Vasu,; Row, T. N. Guru","Effect of substitution on molecular conformation and packing features in a series of aryl substituted ethyl-6-methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylates","CrystEngComm","2010","12","4","1205","","10.1039/b919648j","","","0.7107","MoKα","","0.0886","0.0494","","","0.1189","0.1297","","","","","","0.975","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212103","7.369","0.003","9.442","0.0019","13.086","0.003","102.79","0.03","90.557","0.019","110.68","0.02","826.8","0.5","292","2","292","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H21 N3 O2 S -","- C16 H21 N3 O2 S -","- C32 H42 N6 O4 S2 -","2","1","","Nayak, Susanta K.; Venugopala, K. N.; Chopra, Deepak; Vasu,; Row, T. N. Guru","Effect of substitution on molecular conformation and packing features in a series of aryl substituted ethyl-6-methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylates","CrystEngComm","2010","12","4","1205","","10.1039/b919648j","","x-ray","0.71073","MoKα","","0.0543","0.0423","","","0.1031","0.113","","","","","","1.055","","","","has coordinates,has disorder","180452","2020-10-21","18:00:00",""
"7212104","6.5621","0.0009","6.5621","0.0009","11.954","0.002","90","","90","","90","","514.75","0.13","293","2","293","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","","","- Lu2 O7 Si2 -","- Lu2 O7 Si2 -","- Lu8 O28 Si8 -","4","0.5","","Wang, Chao; Liu, Xiaoyang; Fleet, M. E.; Li, Jixue; Feng, Shouhua; Xu, Ruren; Jin, Zhenmin","Helical chain observed under transmission electron microscope: Synthesis and structure refinement of lutetium disilicate Lu2Si2O7","CrystEngComm","2010","12","5","1617","","10.1039/b919658g","","","0.71073","MoKα","","0.0517","0.0379","","","0.075","0.0815","","","","","","1.064","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212105","10.6979","0.0008","10.8874","0.0008","14.7652","0.0016","91.651","0.001","93.543","0.001","118.564","0.001","1504.2","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H20 Co Cu N4 O8 -","- C30 H20 Co Cu N4 O8 -","- C60 H40 Co2 Cu2 N8 O16 -","2","1","","Chen, Pang-kuan; Qi, Yan; Che, Yun-xia; Zheng, Ji-min","Network topology and property studies for two binodal self-penetrated coordination polymers","CrystEngComm","2010","12","3","720","","10.1039/b919676p","","","0.71073","MoKα","","0.0449","0.0366","","","0.1055","0.1111","","","","","","1.044","","","","has coordinates,has disorder","180452","2020-10-21","18:00:00",""
"7212106","20.584","0.004","11.949","0.002","15.098","0.003","90","","90","","90","","3713.5","1.2","298","2","298","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C72 H68 Co4 N16 O16 -","- C72 H68 Co4 N16 O16 -","- C144 H136 Co8 N32 O32 -","2","0.25","","Chen, Pang-kuan; Qi, Yan; Che, Yun-xia; Zheng, Ji-min","Network topology and property studies for two binodal self-penetrated coordination polymers","CrystEngComm","2010","12","3","720","","10.1039/b919676p","","x-ray","0.71073","MoKα","","0.0633","0.0492","","","0.1318","0.1411","","","","","","1.058","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212107","20.565","0.0018","35.458","0.003","10.1333","0.0009","90","","114.978","0.001","90","","6698","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H76 Eu5 N9 O50 S12 -","- C18 H72 Eu5 N9 O50 S12 -","- C72 H288 Eu20 N36 O200 S48 -","4","0.5","","Zheng, Lei; Xu, Yan; Zhang, Xiaoliang; Zhang, Zhibin; Zhu, Dunru; Chen, Su; Elangovan, S. P.","(C2H8N)9[Eu5(SO4)12]·2H2O: the first europium sulfate open-framework containing two kinds of intersecting extra-large 20-membered ring channels","CrystEngComm","2010","12","3","694","","10.1039/b919703f","","","0.71073","MoKα","","0.0588","0.0489","","","0.1481","0.1536","","","","","","1.153","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7212108","20.905","0.002","25.404","0.002","18.869","0.002","90","","90.788","0.003","90","","10019.8","1.6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C100 H114 N12 Na2 Ni5 O28 -","- C100 H114 N12 Na2 Ni5 O28 -","- C400 H456 N48 Na8 Ni20 O112 -","4","0.5","","Nayak, Malabika; Jana, Arpita; Fleck, Michel; Hazra, Susanta; Mohanta, Sasankasekhar","A unique example of a three component cocrystal of metal complexes","CrystEngComm","2010","12","5","1416","","10.1039/b919803b","","","0.71073","MoKα","","0.089","0.0498","","","0.0961","0.1159","","","","","","1.021","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212109","16.7617","0.0002","16.457","0.0002","19.1902","0.0002","90","","90","","90","","5293.56","0.11","210","2","210","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H20 Ag Cl N6 O4 -","- C26 H20 Ag Cl N6 O4 -","- C208 H160 Ag8 Cl8 N48 O32 -","8","1","","Bai, Yan; Gao, Hui; Dang, Dong-Bin; Guo, Xiang-Yang; An, Bing; Shang, Wei-Li","A series of metal‒organic frameworks based on polydentate Schiff-base ligands derived from benzil dihydrazone: synthesis, crystal structures and luminescent properties","CrystEngComm","2010","12","5","1422","","10.1039/b919813j","","","0.71073","MoKα","","0.0443","0.0314","","","0.0805","0.0876","","","","","","1.014","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212110","10.5733","0.0004","11.1066","0.0004","21.3032","0.0008","98.176","0.002","93.162","0.002","97.274","0.002","2449.52","0.16","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H40 Ag B F4 N12 -","- C52 H40 Ag B F4 N12 -","- C104 H80 Ag2 B2 F8 N24 -","2","1","","Bai, Yan; Gao, Hui; Dang, Dong-Bin; Guo, Xiang-Yang; An, Bing; Shang, Wei-Li","A series of metal‒organic frameworks based on polydentate Schiff-base ligands derived from benzil dihydrazone: synthesis, crystal structures and luminescent properties","CrystEngComm","2010","12","5","1422","","10.1039/b919813j","","","0.71073","MoKα","","0.0656","0.0453","","","0.1113","0.1237","","","","","","1.025","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212111","12.162","0.009","13.554","0.009","17.423","0.013","90","","96.672","0.019","90","","2853","4","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H26 Ag N7 O4 -","- C28 H26 Ag N7 O4 -","- C112 H104 Ag4 N28 O16 -","4","1","","Bai, Yan; Gao, Hui; Dang, Dong-Bin; Guo, Xiang-Yang; An, Bing; Shang, Wei-Li","A series of metal‒organic frameworks based on polydentate Schiff-base ligands derived from benzil dihydrazone: synthesis, crystal structures and luminescent properties","CrystEngComm","2010","12","5","1422","","10.1039/b919813j","","","0.71073","MoKα","","0.0688","0.0416","","","0.1065","0.1182","","","","","","0.978","","","","has coordinates,has disorder","180452","2020-10-21","18:00:00",""
"7212112","25.062","0.007","9.816","0.003","23.111","0.007","90","","106.78","0.006","90","","5443","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H43 N15 S2 Zn -","- C56 H43 N15 S2 Zn -","- C224 H172 N60 S8 Zn4 -","4","1","","Bai, Yan; Gao, Hui; Dang, Dong-Bin; Guo, Xiang-Yang; An, Bing; Shang, Wei-Li","A series of metal‒organic frameworks based on polydentate Schiff-base ligands derived from benzil dihydrazone: synthesis, crystal structures and luminescent properties","CrystEngComm","2010","12","5","1422","","10.1039/b919813j","","","0.71073","MoKα","","0.263","0.0564","","","0.0913","0.138","","","","","","1.045","","","","has coordinates,has disorder","180452","2020-10-21","18:00:00",""
"7212113","10.38","0.006","11.008","0.007","11.174","0.007","105.477","0.01","91.417","0.011","103.155","0.01","1193.2","1.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 Ag N7 O3 -","- C26 H20 Ag N7 O3 -","- C52 H40 Ag2 N14 O6 -","2","1","","Bai, Yan; Gao, Hui; Dang, Dong-Bin; Guo, Xiang-Yang; An, Bing; Shang, Wei-Li","A series of metal‒organic frameworks based on polydentate Schiff-base ligands derived from benzil dihydrazone: synthesis, crystal structures and luminescent properties","CrystEngComm","2010","12","5","1422","","10.1039/b919813j","","","0.71073","MoKα","","0.043","0.0334","","","0.0839","0.088","","","","","","1.1","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212114","8.5305","0.0008","10.6074","0.001","14.4874","0.0013","92.912","0.002","92.474","0.002","104.149","0.002","1267.4","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H43 Cl2 Fe N13 -","- C54 H43 Cl2 Fe N13 -","- C54 H43 Cl2 Fe N13 -","1","0.5","","Bai, Yan; Gao, Hui; Dang, Dong-Bin; Guo, Xiang-Yang; An, Bing; Shang, Wei-Li","A series of metal‒organic frameworks based on polydentate Schiff-base ligands derived from benzil dihydrazone: synthesis, crystal structures and luminescent properties","CrystEngComm","2010","12","5","1422","","10.1039/b919813j","","","0.71073","MoKα","","0.1641","0.0698","","","0.1108","0.1267","","","","","","1.02","","","","has coordinates,has disorder","180452","2020-10-21","18:00:00",""
"7212115","9.4934","0.0014","10.3652","0.0017","14.878","0.002","85.775","0.003","84.341","0.003","79.168","0.003","1428.6","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H46 Mn N14 O S2 -","- C56 H46 Mn N14 O S2 -","- C56 H46 Mn N14 O S2 -","1","0.5","","Bai, Yan; Gao, Hui; Dang, Dong-Bin; Guo, Xiang-Yang; An, Bing; Shang, Wei-Li","A series of metal‒organic frameworks based on polydentate Schiff-base ligands derived from benzil dihydrazone: synthesis, crystal structures and luminescent properties","CrystEngComm","2010","12","5","1422","","10.1039/b919813j","","","0.71073","MoKα","","0.1251","0.0704","","","0.164","0.1842","","","","","","1.041","","","","has coordinates,has disorder","180452","2020-10-21","18:00:00",""
"7212116","19.9086","0.0016","14.5963","0.0012","17.3028","0.0015","90","","91.45","0.002","90","","5026.4","0.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H40 N14 S2 Zn -","- C54 H40 N14 S2 Zn -","- C216 H160 N56 S8 Zn4 -","4","0.5","","Bai, Yan; Gao, Hui; Dang, Dong-Bin; Guo, Xiang-Yang; An, Bing; Shang, Wei-Li","A series of metal‒organic frameworks based on polydentate Schiff-base ligands derived from benzil dihydrazone: synthesis, crystal structures and luminescent properties","CrystEngComm","2010","12","5","1422","","10.1039/b919813j","","","0.71073","MoKα","","0.0747","0.042","","","0.088","0.0963","","","","","","1.021","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212117","11.9176","0.0009","12.9766","0.001","18.0229","0.0013","92.708","0.001","98.424","0.001","106.955","0.001","2625.4","0.3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C14 H37 Li0 N4 O44 P Sn W11 -","- C14 H37 N4 O44 P Sn W11 -","- C28 H74 N8 O88 P2 Sn2 W22 -","2","1","","Cao, Rui; O'Halloran, Kevin P.; Hillesheim, Daniel A.; Hardcastle, Kenneth I.; Hill, Craig L.","Mono-substituted Keggin, Wells-Dawson and {P2W21}-type polyoxometalates without positional disorder","CrystEngComm","2010","12","5","1518","","10.1039/b919934a","","","0.71073","MoKα","","0.0454","0.037","","","0.0915","0.0954","","","","","","1.048","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212118","13.828","0.001","20.9602","0.0015","24.262","0.0018","90","","93.688","0.001","90","","7017.5","0.9","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C7 H5 K7 O75 P2 Sn W17 -","- C7 H5 K7 O75 P2 Sn W17 -","- C28 H20 K28 O300 P8 Sn4 W68 -","4","1","","Cao, Rui; O'Halloran, Kevin P.; Hillesheim, Daniel A.; Hardcastle, Kenneth I.; Hill, Craig L.","Mono-substituted Keggin, Wells-Dawson and {P2W21}-type polyoxometalates without positional disorder","CrystEngComm","2010","12","5","1518","","10.1039/b919934a","","","0.71073","MoKα","","0.0467","0.0359","","","0.0876","0.0931","","","","","","1.057","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212119","13.0559","0.0017","40.252","0.005","17.858","0.003","90","","108.789","0.002","90","","8885","2","173","2","173","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C16 H45 K N5 O78 P2 Rb0 Sn W20 -","- C16 H45 K N5 O78 P2 Sn W20 -","- C64 H180 K4 N20 O312 P8 Sn4 W80 -","4","1","","Cao, Rui; O'Halloran, Kevin P.; Hillesheim, Daniel A.; Hardcastle, Kenneth I.; Hill, Craig L.","Mono-substituted Keggin, Wells-Dawson and {P2W21}-type polyoxometalates without positional disorder","CrystEngComm","2010","12","5","1518","","10.1039/b919934a","","","0.71073","MoKα","","0.0765","0.0557","","","0.1221","0.1303","","","","","","1.12","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212120","10.636","0.0018","18.174","0.003","12.645","0.002","90","","104.343","0.002","90","","2368.1","0.7","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H21 N7 O9 -","- C22 H21 N7 O9 -","- C88 H84 N28 O36 -","4","1","","Arunachalam, M.; Ghosh, Pradyut","Nitrate directed organized assemblies of protonated arene based tripodal receptors","CrystEngComm","2010","12","5","1621","","10.1039/b919950k","","","0.71073","MoKα","","0.0566","0.0403","","","0.0925","0.1012","","","","","","1.027","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212121","11.363","0.005","12.402","0.005","13.447","0.009","111.29","0.014","106.24","0.014","101.63","0.01","1594.9","1.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H39 N9 O9 -","- C27 H39 N9 O9 -","- C54 H78 N18 O18 -","2","1","","Arunachalam, M.; Ghosh, Pradyut","Nitrate directed organized assemblies of protonated arene based tripodal receptors","CrystEngComm","2010","12","5","1621","","10.1039/b919950k","","","0.71073","MoKα","","0.0853","0.0542","","","0.1409","0.1625","","","","","","1.033","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212122","10.5136","0.0008","10.8271","0.0008","11.7809","0.0008","91.09","0.002","93.523","0.002","106.484","0.001","1282.56","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H29 N9 O10 -","- C21 H27 N9 O10 -","- C42 H54 N18 O20 -","2","1","","Arunachalam, M.; Ghosh, Pradyut","Nitrate directed organized assemblies of protonated arene based tripodal receptors","CrystEngComm","2010","12","5","1621","","10.1039/b919950k","","","0.71073","MoKα","","0.0533","0.0468","","","0.127","0.1338","","","","","","1.002","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212123","26.309","0.004","9.8633","0.0014","25.97","0.003","90","","112.137","0.002","90","","6242.3","1.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H44 Cl3 N6 O2.5 -","- C27 H43 Cl3 N6 O2.5 -","- C216 H344 Cl24 N48 O20 -","8","1","","Arunachalam, M.; Ghosh, Pradyut","Nitrate directed organized assemblies of protonated arene based tripodal receptors","CrystEngComm","2010","12","5","1621","","10.1039/b919950k","","","0.71073","MoKα","","0.0493","0.0362","","","0.0875","0.0939","","","","","","1.044","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212129","22.8333","0.0006","25.7253","0.0006","6.42264","0.00016","90","","105.895","0.003","90","","3628.37","0.17","110","2","110","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C60 H40 Cu3 F24 N8 O14 -","- C60 H28 Cu3 F24 N8 O8 -","- C120 H56 Cu6 F48 N16 O16 -","2","0.25","","Seidel, Rüdiger W.; Oppel, Iris M.","Assembly of a rhomboidally distorted (4,4)-net based polymeric sheet structure bearing copper(ii) 5,10,15,20-tetra(4-pyridyl)porphyrin","CrystEngComm","2010","12","4","1051","","10.1039/b920109b","","","1.54178","CuKα","","0.0567","0.0416","","","0.0986","0.1023","","","","","","0.902","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212133","16.293","0.003","15.589","0.003","16.355","0.003","90","","93.92","0.03","90","","4144.3","1.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H32 N8 O12 Zn3 -","- C46 H32 N8 O12 Zn3 -","- C184 H128 N32 O48 Zn12 -","4","1","","Luo, Feng; Luo, Ming-biao; Liu, Yun-hai","Temperature-controlled structure diversity observed in the Zn(ii)-oxalate-4,4′-bipyridine three-member system","CrystEngComm","2010","12","6","1750","","10.1039/b920320f","","","0.71073","MoKα","","0.1341","0.1072","","","0.287","0.2994","","","","","","1.092","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212134","13.3491","0.0004","9.3741","0.0003","13.6106","0.0004","90","","96.141","0.002","90","","1693.4","0.09","200","2","200","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","SP52","","","- C14 H12 Cd2 N2 O11 -","- C14 H12 Cd2 N2 O11 -","- C56 H48 Cd8 N8 O44 -","4","1","","Liu, Yen-Hsiang; Fang, Hsiao-Ping; Jhang, Pei-Ci; Peng, Chia-Chien; Chien, Po-Hsiu; Yang, Hsiao-Ching; Huang, Yun-Chieh; Lo, Yu-Lin","A new Cd4-2,4-pyridinedicarboxylate layered coordination polymer consisting of intralayer cavities and reversible network self-adaptation upon dehydration/moisture-absorption","CrystEngComm","2010","12","6","1779","","10.1039/b920419a","","x-ray","0.71073","MoKα","","0.0551","0.0415","","","0.1007","0.1314","","","","","","1.163","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212138","15.4573","0.0008","20.2952","0.001","35.997","0.0017","101.17","0.003","102.112","0.002","98.015","0.002","10639.4","0.9","100","1","100","1","","","","","","","","3","P 1","P 1","1","","","","- C318.5 H634.5 O281.2 -","- C318.5 H634.438 O281.16 -","- C318.5 H634.438 O281.16 -","1","1","","Enright, Gary D.; Udachin, Konstantin A.; Ripmeester, John A.","Complex packing motifs templated by a pseudo-spherical guest: the structure of β-cyclodextrin‒adamantane inclusion compounds","CrystEngComm","2010","12","5","1450","","10.1039/b920581k","","","0.71073","MoKα","","0.1347","0.0759","","","0.1922","0.2323","","","","","","1.03","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7212139","19.156","0.004","24.075","0.005","32.596","0.007","90","","90","","90","","15033","5","173","2","173","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- C109.15 H140 O90.18 -","- C109.155 H140 O90.185 -","- C436.62 H560 O360.74 -","4","0.5","","Enright, Gary D.; Udachin, Konstantin A.; Ripmeester, John A.","Complex packing motifs templated by a pseudo-spherical guest: the structure of β-cyclodextrin‒adamantane inclusion compounds","CrystEngComm","2010","12","5","1450","","10.1039/b920581k","","","0.71073","MoKα","","0.1023","0.0512","","","0.111","0.1269","","","","","","0.879","","","","has coordinates,has disorder","180452","2020-10-21","18:00:00",""
"7212140","29.4201","0.0001","29.8907","0.0002","30.6856","0.0003","90","","90","","90","","26984.5","0.3","173","2","173","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C208 H403.4 O171.7 -","- C208 H406.6 O171.3 -","- C832 H1626.4 O685.2 -","4","1","","Enright, Gary D.; Udachin, Konstantin A.; Ripmeester, John A.","Complex packing motifs templated by a pseudo-spherical guest: the structure of β-cyclodextrin‒adamantane inclusion compounds","CrystEngComm","2010","12","5","1450","","10.1039/b920581k","","","0.71073","MoKα","","0.113","0.0777","","","0.1654","0.1859","","","","","","1.066","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7212141","13.594","0.0014","10.711","0.0007","11.95","0.0011","90","","93.87","0.05","90","","1736","0.3","298","2","298","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N2 Na2 Ni O12 -","- C14 H14 N2 Na2 Ni O12 -","- C56 H56 N8 Na8 Ni4 O48 -","4","1","","Calderon-Casado, Ainhoa; Barandika, Gotzone; Bazan, Begoña; Urtiaga, Miren-Karmele; Arriortua, María-Isabel","Unprecedented coordination modes for PDC (pyridine-2,5-dicarboxylate) in polymorphic 3D heterobimetallic compounds α- and β-[MNa2(PDC)2(H2O)4], with M = Ni, Co","CrystEngComm","2010","12","6","1784","","10.1039/b920624h","","","0.71073","MoKα","","0.0927","0.0358","","","0.0428","0.0502","","","","","","0.665","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7212142","9.9953","0.0007","10.6963","0.0007","13.3207","0.0007","90.574","0.005","101.757","0.005","113.449","0.006","1272.53","0.16","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C42 H42 N6 Na6 Ni3 O36 -","- C42 H42 N6 Na6 Ni3 O36 -","- C42 H42 N6 Na6 Ni3 O36 -","1","0.5","","Calderon-Casado, Ainhoa; Barandika, Gotzone; Bazan, Begoña; Urtiaga, Miren-Karmele; Arriortua, María-Isabel","Unprecedented coordination modes for PDC (pyridine-2,5-dicarboxylate) in polymorphic 3D heterobimetallic compounds α- and β-[MNa2(PDC)2(H2O)4], with M = Ni, Co","CrystEngComm","2010","12","6","1784","","10.1039/b920624h","","","0.71073","MoKα","","0.07","0.0368","","","0.066","0.0691","","","","","","0.833","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212143","8.2948","0.0007","9.4737","0.001","9.7296","0.0008","102.028","0.006","100.085","0.006","106.708","0.006","693.31","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H22 Cr2 K4 O24 -","- C12 H10 Cr2 K4 O24 -","- C12 H10 Cr2 K4 O24 -","1","0.5","","Delgado, Fernando S.; Sanchiz, Joaquín; López, Trinidad; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Building-block process for the synthesis of new chromium(iii) malonate complexes","CrystEngComm","2010","12","10","2711","","10.1039/b920650g","","x-ray","0.71073","Mokα","","0.0568","0.0379","","","0.0907","0.0964","","","","","","1.04","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212144","16.7161","0.0004","11.3208","0.001","20.1947","0.0014","90","","102.637","0.005","90","","3729.1","0.4","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H98 Cl4 Cr2 Cu4 N16 O42 -","- C36 H82 Cl4 Cr2 Cu4 N16 O42 -","- C72 H164 Cl8 Cr4 Cu8 N32 O84 -","2","0.5","","Delgado, Fernando S.; Sanchiz, Joaquín; López, Trinidad; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Building-block process for the synthesis of new chromium(iii) malonate complexes","CrystEngComm","2010","12","10","2711","","10.1039/b920650g","","x-ray","0.71073","Mokα","","0.1193","0.0629","","","0.1682","0.1997","","","","","","1.045","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212145","9.1804","0.0005","9.6532","0.0005","13.0261","0.0006","106.313","0.004","103.821","0.004","95.435","0.005","1059.48","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H64 Cr2 N8 Ni O26 -","- C24 H48 Cr2 N8 Ni O26 -","- C24 H48 Cr2 N8 Ni O26 -","1","0.5","","Delgado, Fernando S.; Sanchiz, Joaquín; López, Trinidad; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Building-block process for the synthesis of new chromium(iii) malonate complexes","CrystEngComm","2010","12","10","2711","","10.1039/b920650g","","x-ray","0.71073","Mokα","","0.1165","0.0542","","","0.116","0.1368","","","","","","1.027","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212146","8.6708","0.0017","8.6708","0.0029","11.4236","0.001","90","","90","","120","","743.8","0.3","293","2","293","2","","","","","","","","4","P 3 c 1","P 3 -2""c","158","","","","- C7 H21 Gd O13 -","- C7 H7 Gd O13 -","- C14 H14 Gd2 O26 -","2","0.333333","","Delgado, Fernando S.; Sanchiz, Joaquín; López, Trinidad; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Building-block process for the synthesis of new chromium(iii) malonate complexes","CrystEngComm","2010","12","10","2711","","10.1039/b920650g","","x-ray","0.71073","MoKα","","0.0291","0.0203","","","0.0413","0.044","","","","","","1.081","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212149","11.3213","0.0008","11.3297","0.0008","21.2344","0.0014","102.188","0.001","93.507","0.001","99.41","0.001","2613.5","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C120 H87 N10 O23.5 Zn5 -","- C120 H84 N10 O23.432 Zn5 -","- C120 H84 N10 O23.432 Zn5 -","1","0.5","","Niu, Cao-Yuan; Zheng, Xian-Fu; He, Yong; Feng, Zhi-Qiang; Kou, Chun-Hong","Tuning of unusual secondary ligands to construct fluorescent zinc coordination polymers of an unsymmetrical pyridylbenzoate ligand from 1D chain to interdigital or porous 2D layers and interpenetrated 3D frameworks","CrystEngComm","2010","12","10","2847","","10.1039/b920737f","","","0.71073","MoKα","","0.067","0.0544","","","0.1444","0.154","","","","","","1.057","","","","has coordinates,has disorder","180452","2020-10-21","18:00:00",""
"7212150","11.623","0.003","19.684","0.005","10.774","0.002","90","","93.452","0.004","90","","2460.5","1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 N2 O5.5 Zn -","- C24 H18 N2 O5.5 Zn -","- C96 H72 N8 O22 Zn4 -","4","1","","Niu, Cao-Yuan; Zheng, Xian-Fu; He, Yong; Feng, Zhi-Qiang; Kou, Chun-Hong","Tuning of unusual secondary ligands to construct fluorescent zinc coordination polymers of an unsymmetrical pyridylbenzoate ligand from 1D chain to interdigital or porous 2D layers and interpenetrated 3D frameworks","CrystEngComm","2010","12","10","2847","","10.1039/b920737f","","","0.71073","MoKα","","0.0922","0.0669","","","0.2173","0.2455","","","","","","1.001","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212151","10.998","0.008","13.227","0.01","14.682","0.011","90","","93.401","0.013","90","","2132","3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 N2 O4 Zn -","- C24 H16 N2 O4 Zn -","- C96 H64 N8 O16 Zn4 -","4","1","","Niu, Cao-Yuan; Zheng, Xian-Fu; He, Yong; Feng, Zhi-Qiang; Kou, Chun-Hong","Tuning of unusual secondary ligands to construct fluorescent zinc coordination polymers of an unsymmetrical pyridylbenzoate ligand from 1D chain to interdigital or porous 2D layers and interpenetrated 3D frameworks","CrystEngComm","2010","12","10","2847","","10.1039/b920737f","","","0.71073","MoKα","","0.0435","0.0357","","","0.1104","0.1154","","","","","","1.077","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212152","16.482","0.002","8.7429","0.0011","20.933","0.003","90","","112.531","0.002","90","","2786.2","0.6","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C31 H26 N2 O8 Zn2 -","- C31 H26 N2 O8.223 Zn2 -","- C124 H104 N8 O32.892 Zn8 -","4","1","","Niu, Cao-Yuan; Zheng, Xian-Fu; He, Yong; Feng, Zhi-Qiang; Kou, Chun-Hong","Tuning of unusual secondary ligands to construct fluorescent zinc coordination polymers of an unsymmetrical pyridylbenzoate ligand from 1D chain to interdigital or porous 2D layers and interpenetrated 3D frameworks","CrystEngComm","2010","12","10","2847","","10.1039/b920737f","","","0.71073","MoKα","","0.0331","0.0277","","","0.0693","0.0731","","","","","","1.02","","","","has coordinates,has disorder","180452","2020-10-21","18:00:00",""
"7212153","21.1155","0.0016","10.8732","0.0008","12.6378","0.001","90","","95.168","0.001","90","","2889.8","0.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H10 N O4 Zn -","- C16 H10 N O4 Zn -","- C128 H80 N8 O32 Zn8 -","8","1","","Niu, Cao-Yuan; Zheng, Xian-Fu; He, Yong; Feng, Zhi-Qiang; Kou, Chun-Hong","Tuning of unusual secondary ligands to construct fluorescent zinc coordination polymers of an unsymmetrical pyridylbenzoate ligand from 1D chain to interdigital or porous 2D layers and interpenetrated 3D frameworks","CrystEngComm","2010","12","10","2847","","10.1039/b920737f","","","0.71073","MoKα","","0.0288","0.024","","","0.0646","0.067","","","","","","1.055","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212154","12.61","0.003","23.552","0.006","14.121","0.004","90","","90","","90","","4193.8","1.9","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C34 H52 N12 O12 S Zn -","- C34 H52 N12 O12 S Zn -","- C136 H208 N48 O48 S4 Zn4 -","4","0.5","","Wu, Biao; Liang, Jianjun; Zhao, Yuxin; Li, Minrui; Li, Shaoguang; Liu, Yanyan; Zhang, Yongping; Yang, Xiao-Juan","Sulfate encapsulation in three-fold interpenetrated metal‒organic frameworks with bis(pyridylurea) ligands","CrystEngComm","2010","12","7","2129","","10.1039/b920777e","","","0.71073","MoKα","","0.0679","0.0395","","","0.0998","0.1127","","","","","","1.028","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212155","12.7357","0.0012","23.931","0.002","14.2117","0.0013","90","","90","","90","","4331.4","0.7","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C34 H52 Cd N12 O12 S -","- C34 H52 Cd N12 O12 S -","- C136 H208 Cd4 N48 O48 S4 -","4","0.5","","Wu, Biao; Liang, Jianjun; Zhao, Yuxin; Li, Minrui; Li, Shaoguang; Liu, Yanyan; Zhang, Yongping; Yang, Xiao-Juan","Sulfate encapsulation in three-fold interpenetrated metal‒organic frameworks with bis(pyridylurea) ligands","CrystEngComm","2010","12","7","2129","","10.1039/b920777e","","","0.71073","MoKα","","0.0657","0.0344","","","0.0777","0.0915","","","","","","1.016","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212156","13.1181","0.0014","23.502","0.002","14.1772","0.0015","90","","90","","90","","4370.9","0.8","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C36 H56 N12 O12 S Zn -","- C36 H32 N12 O12 S Zn -","- C144 H128 N48 O48 S4 Zn4 -","4","0.5","","Wu, Biao; Liang, Jianjun; Zhao, Yuxin; Li, Minrui; Li, Shaoguang; Liu, Yanyan; Zhang, Yongping; Yang, Xiao-Juan","Sulfate encapsulation in three-fold interpenetrated metal‒organic frameworks with bis(pyridylurea) ligands","CrystEngComm","2010","12","7","2129","","10.1039/b920777e","","","0.71073","MoKα","","0.0803","0.0559","","","0.1672","0.186","","","","","","1.079","","","","has coordinates,has disorder","180452","2020-10-21","18:00:00",""
"7212157","11.746","0.0008","7.1253","0.0005","12.3756","0.0009","90","","96.584","0.001","90","","1028.93","0.13","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H23 N O2 S2 -","- C23 H23 N O2 S2 -","- C46 H46 N2 O4 S4 -","2","1","","Kim, Hyun Jee; Sultana, Kaniz Fatima; Lee, Jai Young; Lee, Shim Sung","Endo- and/or exocyclic silver(i) and mercury(ii) complexes of an NO2S2-macrocycle: effect of ligand ratio and anion","CrystEngComm","2010","12","5","1494","","10.1039/b921033d","","","0.71073","MoKα","","0.0512","0.0429","","","0.0953","0.0991","","","","","","1.046","","","","has coordinates,has disorder","180452","2020-10-21","18:00:00",""
"7212158","16.974","0.0018","9.2667","0.001","22.0941","0.0017","90","","126.589","0.005","90","","2790.4","0.5","173","2","173","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C24 H25 Ag Cl2 F6 N O2 P S2 -","- C24 H25 Ag Cl2 F6 N O2 P S2 -","- C96 H100 Ag4 Cl8 F24 N4 O8 P4 S8 -","4","1","","Kim, Hyun Jee; Sultana, Kaniz Fatima; Lee, Jai Young; Lee, Shim Sung","Endo- and/or exocyclic silver(i) and mercury(ii) complexes of an NO2S2-macrocycle: effect of ligand ratio and anion","CrystEngComm","2010","12","5","1494","","10.1039/b921033d","","","0.71073","MoKα","","0.118","0.0887","","","0.1865","0.1993","","","","","","1.14","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212159","9.6205","0.0006","19.9138","0.0012","12.7424","0.0008","90","","105.035","0.001","90","","2357.6","0.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 Ag Cl N O6 S2 -","- C23 H23 Ag Cl N O6 S2 -","- C92 H92 Ag4 Cl4 N4 O24 S8 -","4","1","","Kim, Hyun Jee; Sultana, Kaniz Fatima; Lee, Jai Young; Lee, Shim Sung","Endo- and/or exocyclic silver(i) and mercury(ii) complexes of an NO2S2-macrocycle: effect of ligand ratio and anion","CrystEngComm","2010","12","5","1494","","10.1039/b921033d","","","0.71073","MoKα","","0.0397","0.0329","","","0.0767","0.0824","","","","","","1.058","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212160","13.511","0.0012","13.8785","0.0012","13.9628","0.0012","69.59","0.002","66.22","0.001","77.622","0.002","2237.2","0.3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C46 H46 Ag F6 N2 O4 P S4 -","- C46 H46 Ag F6 N2 O4 P S4 -","- C92 H92 Ag2 F12 N4 O8 P2 S8 -","2","1","","Kim, Hyun Jee; Sultana, Kaniz Fatima; Lee, Jai Young; Lee, Shim Sung","Endo- and/or exocyclic silver(i) and mercury(ii) complexes of an NO2S2-macrocycle: effect of ligand ratio and anion","CrystEngComm","2010","12","5","1494","","10.1039/b921033d","","","0.71073","MoKα","","0.0538","0.0468","","","0.1036","0.1072","","","","","","1.154","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212161","30.1951","0.0015","12.3606","0.0006","13.921","0.0007","90","","90","","90","","5195.7","0.4","173","2","173","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C23 H23 Cl2 Hg N O10 S2 -","- C23 H23 Cl2 Hg N O10 S2 -","- C184 H184 Cl16 Hg8 N8 O80 S16 -","8","0.5","","Kim, Hyun Jee; Sultana, Kaniz Fatima; Lee, Jai Young; Lee, Shim Sung","Endo- and/or exocyclic silver(i) and mercury(ii) complexes of an NO2S2-macrocycle: effect of ligand ratio and anion","CrystEngComm","2010","12","5","1494","","10.1039/b921033d","","","0.71073","MoKα","","0.0278","0.024","","","0.0585","0.0602","","","","","","1.111","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212162","10.2253","0.0007","8.3445","0.0006","29.2722","0.0018","90","","101.355","0.003","90","","2448.8","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 Cl2 Hg N O3 S2 -","- C23 H25 Cl2 Hg N O3 S2 -","- C92 H100 Cl8 Hg4 N4 O12 S8 -","4","1","","Kim, Hyun Jee; Sultana, Kaniz Fatima; Lee, Jai Young; Lee, Shim Sung","Endo- and/or exocyclic silver(i) and mercury(ii) complexes of an NO2S2-macrocycle: effect of ligand ratio and anion","CrystEngComm","2010","12","5","1494","","10.1039/b921033d","","","0.71073","MoKα","","0.0924","0.0545","","","0.1296","0.1544","","","","","","1.059","","","","has coordinates,has disorder","180452","2020-10-21","18:00:00",""
"7212167","18.395","0.003","5.3096","0.0009","11.993","0.002","90","","109.004","0.003","90","","1107.5","0.3","293","2","293","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C13 H10 N4 -","- C13 H10 N4 -","- C52 H40 N16 -","4","1","","Zhan, Shun-Ze; Peng, Rong; Lin, Shi-Hong; Ng, Seik Weng; Li, Dan","An unprecedented 2-D CuSCN coordination network containing both regular and irregular [Cu3(SCN)3] rings supported by a tridentate N-donor ligand","CrystEngComm","2010","12","5","1385","","10.1039/b921264g","","","0.71073","MoKα","","0.052","0.0458","","","0.1076","0.111","","","","","","1.077","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212168","5.7798","0.0006","8.7059","0.0009","10.3704","0.0011","83.7","0.002","84.555","0.002","76.231","0.002","502.49","0.09","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C16 H10 Cu3 N7 S3 -","- C16 H10 Cu3 N7 S3 -","- C16 H10 Cu3 N7 S3 -","1","1","","Zhan, Shun-Ze; Peng, Rong; Lin, Shi-Hong; Ng, Seik Weng; Li, Dan","An unprecedented 2-D CuSCN coordination network containing both regular and irregular [Cu3(SCN)3] rings supported by a tridentate N-donor ligand","CrystEngComm","2010","12","5","1385","","10.1039/b921264g","","","0.71073","MoKα","","0.0348","0.0341","","","0.0873","0.0879","","","","","","1.036","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212169","12.8887","0.0008","4.97","0.0003","20.9607","0.0019","90","","91.546","0.004","90","","1342.19","0.17","293","","293","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","Salicylamide","","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C56 H56 N8 O16 -","8","1","","Johnstone, Russell D. L.; Lennie, Alistair R.; Parker, Stewart F.; Parsons, Simon; Pidcock, Elna; Richardson, Patricia R.; Warren, John E.; Wood, Peter A.","High-pressure polymorphism in salicylamide","CrystEngComm","2010","12","4","1065","","10.1039/b921288d","","","0.71073","MoKα","","0.0947","0.0751","","0.1382","0.1313","0.1382","","","","","","1.0989","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212170","12.7925","0.0011","4.9356","0.0005","20.415","0.005","90","","92.266","0.014","90","","1288","0.4","293","","293","","","","300000","","","","","4","I 1 2/a 1","-I 2ya","15","Salicylamide","","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C56 H56 N8 O16 -","8","1","","Johnstone, Russell D. L.; Lennie, Alistair R.; Parker, Stewart F.; Parsons, Simon; Pidcock, Elna; Richardson, Patricia R.; Warren, John E.; Wood, Peter A.","High-pressure polymorphism in salicylamide","CrystEngComm","2010","12","4","1065","","10.1039/b921288d","","","0.4754","synchrotron","","0.1055","0.0541","","0.1282","0.1065","0.1282","","","","","","0.9885","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212171","12.5438","0.0006","4.8464","0.0003","19.203","0.003","90","","93.648","0.007","90","","1165","0.2","293","","293","","","","2000000","","","","","4","I 1 2/a 1","-I 2ya","15","Salicylamide","","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C56 H56 N8 O16 -","8","1","","Johnstone, Russell D. L.; Lennie, Alistair R.; Parker, Stewart F.; Parsons, Simon; Pidcock, Elna; Richardson, Patricia R.; Warren, John E.; Wood, Peter A.","High-pressure polymorphism in salicylamide","CrystEngComm","2010","12","4","1065","","10.1039/b921288d","","","0.4754","synchrotron","","0.0675","0.0465","","0.1099","0.1023","0.1099","","","","","","0.9987","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212172","12.3706","0.0007","4.7918","0.0003","18.398","0.003","90","","94.078","0.008","90","","1087.8","0.2","293","","293","","","","4000000","","","","","4","I 1 2/a 1","-I 2ya","15","Salicylamide","","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C56 H56 N8 O16 -","8","1","","Johnstone, Russell D. L.; Lennie, Alistair R.; Parker, Stewart F.; Parsons, Simon; Pidcock, Elna; Richardson, Patricia R.; Warren, John E.; Wood, Peter A.","High-pressure polymorphism in salicylamide","CrystEngComm","2010","12","4","1065","","10.1039/b921288d","","","0.4754","synchrotron","","0.0722","0.0503","","0.1193","0.1116","0.1193","","","","","","0.9982","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212173","12.2791","0.0007","4.7643","0.0003","17.9649","0.0017","90","","93.96","0.004","90","","1048.46","0.13","293","","293","","","","5100000","","","","","4","I 1 2/a 1","-I 2ya","15","Salicylamide","","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C56 H56 N8 O16 -","8","1","","Johnstone, Russell D. L.; Lennie, Alistair R.; Parker, Stewart F.; Parsons, Simon; Pidcock, Elna; Richardson, Patricia R.; Warren, John E.; Wood, Peter A.","High-pressure polymorphism in salicylamide","CrystEngComm","2010","12","4","1065","","10.1039/b921288d","","","0.4754","synchrotron","","0.0657","0.0477","","0.1239","0.1161","0.1239","","","","","","1.0462","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212174","3.8938","0.0004","5.5612","0.0006","28.566","0.008","90","","90","","90","","618.6","0.2","293","","293","","","","200000","","","","","4","P 21 21 21","P 2ac 2ab","19","Salicylamide","","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C28 H28 N4 O8 -","4","1","","Johnstone, Russell D. L.; Lennie, Alistair R.; Parker, Stewart F.; Parsons, Simon; Pidcock, Elna; Richardson, Patricia R.; Warren, John E.; Wood, Peter A.","High-pressure polymorphism in salicylamide","CrystEngComm","2010","12","4","1065","","10.1039/b921288d","","","0.4754","synchrotron","","0.0932","0.0493","","0.1261","0.1062","0.1261","","","","","","1.0518","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212178","14.688","0.003","12.574","0.003","12.574","0.003","90","","90","","90","","2322.3","0.9","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","1‒(2‒hydroxyphenyl)ethan‒1‒one thiosemicarbazone methanol slovate","1‒(2‒hydroxyphenyl)ethan‒1‒one thiosemicarbazone methanol slovate","","- C10 H15 N3 O2 S -","- C10 H15 N3 O2 S -","- C80 H120 N24 O16 S8 -","8","1","","Krasowska, M.; Kochel, A.; Filarowski, A.","The conformational analysis of 2-hydroxyaryl Schiff thiosemicarbazones","CrystEngComm","2010","12","6","1955","","10.1039/b921402j","","","0.71073","MoKα","","0.1393","0.0527","","","0.0878","0.1133","","","","","","0.954","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212179","8.914","0.005","13.613","0.005","18.028","0.006","90","","90","","90","","2187.6","1.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","1-(2-hydroxyphenyl)ethan-1-one N-methylthiosemicarbazone","1-(2-hydroxyphenyl)ethan-1-one N-methylthiosemicarbazone","","- C10 H13 N3 O S -","- C10 H13 N3 O S -","- C80 H104 N24 O8 S8 -","8","1","","Krasowska, M.; Kochel, A.; Filarowski, A.","The conformational analysis of 2-hydroxyaryl Schiff thiosemicarbazones","CrystEngComm","2010","12","6","1955","","10.1039/b921402j","","","0.71073","MoKα","","0.0432","0.0306","","","0.0746","0.0803","","","","","","1.045","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212180","12.863","0.002","7.992","0.003","22.218","0.003","90","","118.65","0.02","90","","2004.4","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl) ethan-1-one thiosemicarbazone di dimethylaminium cation sulfate","1-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl) ethan-1-one thiosemicarbazone di dimethylaminium cation sulfate","","- C13 H27 N5 O7 S2 -","- C13 H27 N5 O7 S2 -","- C52 H108 N20 O28 S8 -","4","1","","Krasowska, M.; Kochel, A.; Filarowski, A.","The conformational analysis of 2-hydroxyaryl Schiff thiosemicarbazones","CrystEngComm","2010","12","6","1955","","10.1039/b921402j","","","0.71073","MoKα","","0.0836","0.0423","","","0.0908","0.1094","","","","","","1.029","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212181","9.827","0.0001","7.2917","0.0001","16.3656","0.0003","90","","91.729","0.001","90","","1172.15","0.03","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1-(2-hydroxyphenyl)ethan-1-one N,N-dimethylthiosemicarbazone","1-(2-hydroxyphenyl)ethan-1-one N,N-dimethylthiosemicarbazone","","- C11 H15 N3 O S -","- C11 H15 N3 O S -","- C44 H60 N12 O4 S4 -","4","1","","Krasowska, M.; Kochel, A.; Filarowski, A.","The conformational analysis of 2-hydroxyaryl Schiff thiosemicarbazones","CrystEngComm","2010","12","6","1955","","10.1039/b921402j","","","0.71073","MoKα","","0.0339","0.0299","","","0.082","0.0852","","","","","","1.051","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212182","5.5243","0.0002","10.5902","0.0004","12.2174","0.0005","73.835","0.003","86.048","0.003","87.208","0.003","684.54","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","1-(2-hydroxyphenyl)ethan-1-one N-phenylthiosemicarbazone","1-(2-hydroxyphenyl)ethan-1-one N-phenylthiosemicarbazone","","- C15 H15 N3 O S -","- C15 H15 N3 O S -","- C30 H30 N6 O2 S2 -","2","1","","Krasowska, M.; Kochel, A.; Filarowski, A.","The conformational analysis of 2-hydroxyaryl Schiff thiosemicarbazones","CrystEngComm","2010","12","6","1955","","10.1039/b921402j","","","0.71073","MoKα","","0.0453","0.032","","","0.0812","0.0854","","","","","","1.046","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212183","10.5932","0.0008","11.4042","0.0008","11.6692","0.0009","90","","90","","90","","1409.72","0.18","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 O S -","- C17 H16 O S -","- C68 H64 O4 S4 -","4","1","","Kinuta, Takafumi; Yokoyama, Emi; Sato, Tomohiro; Tajima, Nobuo; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Development of novel thioether compound for spontaneous chiral crystallization","CrystEngComm","2010","12","5","1394","","10.1039/b921416j","","","0.71073","MoKα","","0.0636","0.0561","","","0.1417","0.148","","","","","","1.053","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212184","9.7552","0.0006","11.0921","0.0007","12.3352","0.0008","90","","90","","90","","1334.74","0.15","125","2","125","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 O S -","- C17 H16 O S -","- C68 H64 O4 S4 -","4","1","","Kinuta, Takafumi; Yokoyama, Emi; Sato, Tomohiro; Tajima, Nobuo; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Development of novel thioether compound for spontaneous chiral crystallization","CrystEngComm","2010","12","5","1394","","10.1039/b921416j","","","0.71073","MoKα","","0.0342","0.0325","","","0.0835","0.0842","","","","","","1.044","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212185","7.7637","0.0006","8.5895","0.0006","12.785","0.0009","105.386","0.001","98.584","0.001","105.804","0.001","768.08","0.1","115","2","115","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H13 N O2 S -","- C20 H13 N O2 S -","- C40 H26 N2 O4 S2 -","2","1","","Kinuta, Takafumi; Yokoyama, Emi; Sato, Tomohiro; Tajima, Nobuo; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Development of novel thioether compound for spontaneous chiral crystallization","CrystEngComm","2010","12","5","1394","","10.1039/b921416j","","","0.71073","MoKα","","0.0452","0.0406","","","0.1033","0.1067","","","","","","1.035","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212186","7.6159","0.0005","10.3651","0.0007","17.2948","0.0012","90","","90","","90","","1365.24","0.16","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 N O S -","- C16 H15 N O S -","- C64 H60 N4 O4 S4 -","4","1","","Kinuta, Takafumi; Yokoyama, Emi; Sato, Tomohiro; Tajima, Nobuo; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Development of novel thioether compound for spontaneous chiral crystallization","CrystEngComm","2010","12","5","1394","","10.1039/b921416j","","","0.71073","MoKα","","0.0323","0.0303","","","0.0754","0.0762","","","","","","1","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212187","6.8238","0.0008","6.9867","0.0008","8.9138","0.0009","82.198","0.007","81.8","0.007","81.286","0.008","412.93","0.08","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C3 H9 N O6 P2 Pb -","- C3 H9 N O6 P2 Pb -","- C6 H18 N2 O12 P4 Pb2 -","2","1","","Du, Zi-Yi; Sun, Yu-Hui; Zhang, Xiu-Zhi; Luo, Shu-Fen; Xie, Yong-Rong; Wan, Dong-Bei","Novel double-chained or double-layered metal diphosphonates: synergic coordination effect of two closely linked phosphonate moieties promoted by large metal ionic radius","CrystEngComm","2010","12","6","1774","","10.1039/b921440b","","","0.71073","MoKα","","0.0281","0.0251","","","0.0562","0.0578","","","","","","1.084","","","","has coordinates,has disorder","180452","2020-10-21","18:00:00",""
"7212188","8.9531","0.0003","9.17","0.0003","10.6859","0.0003","102.694","0.001","91.852","0.001","90.551","0.001","855.3","0.05","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H18 Ba2 N2 O12 P4 -","- C6 H18 Ba2 N2 O12 P4 -","- C12 H36 Ba4 N4 O24 P8 -","2","1","","Du, Zi-Yi; Sun, Yu-Hui; Zhang, Xiu-Zhi; Luo, Shu-Fen; Xie, Yong-Rong; Wan, Dong-Bei","Novel double-chained or double-layered metal diphosphonates: synergic coordination effect of two closely linked phosphonate moieties promoted by large metal ionic radius","CrystEngComm","2010","12","6","1774","","10.1039/b921440b","","","0.71073","MoKα","","0.0266","0.0248","","","0.0683","0.0694","","","","","","1.067","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212189","9.782","0.002","13.609","0.003","17.742","0.003","68.476","0.006","82.789","0.007","71.747","0.005","2086.5","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H32 Mn3 N4 O14 -","- C44 H32 Mn3 N4 O14 -","- C88 H64 Mn6 N8 O28 -","2","1","","Ma, Cheng-Bing; Hu, Ming-Qiang; Chen, Hui; Wang, Mei; Zhang, Chun-Xia; Chen, Chang-Neng; Liu, Qiu-Tian","A trimanganese cluster-based 2D layer framework with facile single-crystal-to-single-crystal transformation to afford a 1D chain structure","CrystEngComm","2010","12","5","1467","","10.1039/b921483f","","","0.71073","MoKα","","","0.0534","","","0.1475","0.1635","","","","","","1.006","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212190","12.596","0.005","9.623","0.003","15.059","0.005","90","","95.715","0.007","90","","1816.2","1.1","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Mn N2 O7 -","- C18 H18 Mn N2 O7 -","- C72 H72 Mn4 N8 O28 -","4","1","","Ma, Cheng-Bing; Hu, Ming-Qiang; Chen, Hui; Wang, Mei; Zhang, Chun-Xia; Chen, Chang-Neng; Liu, Qiu-Tian","A trimanganese cluster-based 2D layer framework with facile single-crystal-to-single-crystal transformation to afford a 1D chain structure","CrystEngComm","2010","12","5","1467","","10.1039/b921483f","","","0.71073","MoKα","","","0.0316","","","0.086","0.0911","","","","","","1","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212194","18.733","0.002","10.2319","0.0014","20.283","0.003","90","","90","","90","","3887.7","0.9","200","","200","","","","","","","","","5","P b c n","-P 2n 2ab","60","","Mn(M4)(dmf)]-1/2(DMF)","","- C18.5 H18.5 Mn N3.5 O6.5 -","- C18.5 H18.5 Mn N3.5 O6.5 -","- C148 H148 Mn8 N28 O52 -","8","1","","Chen, Man-Sheng; Bai, Zheng-Shuai; Okamura, Taka-aki; Su, Zhi; Chen, Shui-Sheng; Sun, Wei-Yin; Ueyama, Norikazu","Metal‒organic frameworks with pyridyl- and carboxylate-containing ligands: syntheses, structures and properties","CrystEngComm","2010","12","6","1935","","10.1039/b921850e","","","0.71075","MoKα","","0.0731","0.0463","","","0.0987","0.1091","","","","","","1.018","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212195","7.5082","0.0008","10.0409","0.001","13.2633","0.0013","71.085","0.002","77.809","0.001","73.521","0.002","899.19","0.16","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H20 Mn N2 O11 -","- C14 H20 Mn N2 O11 -","- C28 H40 Mn2 N4 O22 -","2","1","","Chen, Man-Sheng; Bai, Zheng-Shuai; Okamura, Taka-aki; Su, Zhi; Chen, Shui-Sheng; Sun, Wei-Yin; Ueyama, Norikazu","Metal‒organic frameworks with pyridyl- and carboxylate-containing ligands: syntheses, structures and properties","CrystEngComm","2010","12","6","1935","","10.1039/b921850e","","","0.71073","MoKα","","0.0409","0.0384","","","0.1022","0.1045","","","","","","1.069","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212196","8.0877","0.0011","9.9836","0.0014","10.5561","0.0014","64.586","0.002","84.224","0.001","82.821","0.002","762.78","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H14 Co N2 O8 -","- C14 H14 Co N2 O8 -","- C28 H28 Co2 N4 O16 -","2","1","","Chen, Man-Sheng; Bai, Zheng-Shuai; Okamura, Taka-aki; Su, Zhi; Chen, Shui-Sheng; Sun, Wei-Yin; Ueyama, Norikazu","Metal‒organic frameworks with pyridyl- and carboxylate-containing ligands: syntheses, structures and properties","CrystEngComm","2010","12","6","1935","","10.1039/b921850e","","","0.71073","MoKα","","0.0477","0.0418","","","0.1036","0.1075","","","","","","1.048","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212197","7.6371","0.001","9.699","0.0012","11.8615","0.0014","104.913","0.002","104.438","0.001","92.998","0.002","815.81","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H12 Co N3 O5 -","- C19 H12 Co N3 O5 -","- C38 H24 Co2 N6 O10 -","2","1","","Chen, Man-Sheng; Bai, Zheng-Shuai; Okamura, Taka-aki; Su, Zhi; Chen, Shui-Sheng; Sun, Wei-Yin; Ueyama, Norikazu","Metal‒organic frameworks with pyridyl- and carboxylate-containing ligands: syntheses, structures and properties","CrystEngComm","2010","12","6","1935","","10.1039/b921850e","","","0.71073","MoKα","","0.0406","0.0361","","","0.0926","0.095","","","","","","1.036","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212198","7.698","0.005","17.961","0.012","12.777","0.009","90","","102.005","0.009","90","","1728","2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 Co N4 O7 -","- C17 H16 Co N4 O7 -","- C68 H64 Co4 N16 O28 -","4","1","","Chen, Man-Sheng; Bai, Zheng-Shuai; Okamura, Taka-aki; Su, Zhi; Chen, Shui-Sheng; Sun, Wei-Yin; Ueyama, Norikazu","Metal‒organic frameworks with pyridyl- and carboxylate-containing ligands: syntheses, structures and properties","CrystEngComm","2010","12","6","1935","","10.1039/b921850e","","","0.71073","MoKα","","0.0563","0.0471","","","0.1317","0.1362","","","","","","1.045","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212199","7.435","0.003","18.746","0.005","12.541","0.005","90","","101.762","0.014","90","","1711.2","1.1","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Cu(M4)(Im)(H2O)]-H2O","","- C17 H16 Cu N4 O7 -","- C17 H16 Cu N4 O7 -","- C68 H64 Cu4 N16 O28 -","4","1","","Chen, Man-Sheng; Bai, Zheng-Shuai; Okamura, Taka-aki; Su, Zhi; Chen, Shui-Sheng; Sun, Wei-Yin; Ueyama, Norikazu","Metal‒organic frameworks with pyridyl- and carboxylate-containing ligands: syntheses, structures and properties","CrystEngComm","2010","12","6","1935","","10.1039/b921850e","","","0.71075","MoKα","","0.0371","0.032","","","0.0739","0.0765","","","","","","1.04","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212200","11.872","0.002","14.84","0.003","20.235","0.004","88.91","0.03","89.18","0.03","69.63","0.03","3341.4","1.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H57 As6 Cu2.5 N10 O45 V15 -","- C15 H50 As6 Cu2.5 N10 O45 V15 -","- C30 H100 As12 Cu5 N20 O90 V30 -","2","1","","Shi, Shu-Yun; Chen, Yan; Xu, Jia-Ning; Zou, Yong-Cun; Cui, Xiao-Bing; Wang, Yan; Wang, Tie-Gang; Xu, Ji-Qing; Gao, Zhong-Min","Zero- and two-dimensional structures based on AsIII‒VIV polyoxometalates","CrystEngComm","2010","12","6","1949","","10.1039/b921928e","","","0.71073","MoKα","","0.0954","0.0637","","","0.1728","0.197","","","","","","1.03","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212201","36.286","0.0017","36.286","0.0017","21.425","0.003","90","","90","","120","","24430","4","273","2","273","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C6 H32 As8 N4 O46 V14 -","- C6 H24 As8 N4 O46 V14 -","- C108 H432 As144 N72 O828 V252 -","18","1","","Shi, Shu-Yun; Chen, Yan; Xu, Jia-Ning; Zou, Yong-Cun; Cui, Xiao-Bing; Wang, Yan; Wang, Tie-Gang; Xu, Ji-Qing; Gao, Zhong-Min","Zero- and two-dimensional structures based on AsIII‒VIV polyoxometalates","CrystEngComm","2010","12","6","1949","","10.1039/b921928e","","","0.71073","MoKα","","0.082","0.0546","","","0.1341","0.1482","","","","","","1.015","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212203","9.3776","0.0011","9.5002","0.001","9.7109","0.0012","70.32","0.011","66.525","0.012","89.942","0.009","738.25","0.18","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H17 F N2 -","- C18 H17 F N2 -","- C36 H34 F2 N4 -","2","1","","Dyakonenko, Viktoriya V.; Maleev, Andrey V.; Zbruyev, Alexander I.; Chebanov, Valentin A.; Desenko, Sergey M.; Shishkin, Oleg V.","Layered crystal structure of bicyclic aziridines as revealed by analysis of intermolecular interactions energy","CrystEngComm","2010","12","6","1816","","10.1039/b922131j","","","0.71069","MoKα","","0.052","0.0431","","","0.11","0.1175","","","","","","1.108","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212204","9.407","0.0011","10.3158","0.0011","10.7475","0.0012","116.008","0.011","97.704","0.009","104.225","0.01","872.9","0.2","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H16 Cl I N2 -","- C18 H16 Cl I N2 -","- C36 H32 Cl2 I2 N4 -","2","1","","Dyakonenko, Viktoriya V.; Maleev, Andrey V.; Zbruyev, Alexander I.; Chebanov, Valentin A.; Desenko, Sergey M.; Shishkin, Oleg V.","Layered crystal structure of bicyclic aziridines as revealed by analysis of intermolecular interactions energy","CrystEngComm","2010","12","6","1816","","10.1039/b922131j","","","0.71073","MoKα","","0.0488","0.0376","","","0.1055","0.1147","","","","","","1.072","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212205","10.199","0.002","16.027","0.002","10.752","0.003","90","","117.549","0.002","90","","1558.2","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 Br N2 -","- C18 H17 Br N2 -","- C72 H68 Br4 N8 -","4","1","","Dyakonenko, Viktoriya V.; Maleev, Andrey V.; Zbruyev, Alexander I.; Chebanov, Valentin A.; Desenko, Sergey M.; Shishkin, Oleg V.","Layered crystal structure of bicyclic aziridines as revealed by analysis of intermolecular interactions energy","CrystEngComm","2010","12","6","1816","","10.1039/b922131j","","","0.71069","MoKα","","0.0652","0.0594","","","0.1567","0.1695","","","","","","1.108","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212206","20.1966","0.0006","20.1966","0.0006","25.1389","0.0015","90","","90","","120","","8880.4","0.6","293","2","163.15","","","","","","","","","5","R -3 :H","-R 3","148","(Ag2Pra2biim)5.33H2O","","","- C12 H22.67 Ag2 N4 O9.33 -","- C12 H22.67 Ag2 N4 O9.33333 -","- C216 H408.06 Ag36 N72 O168 -","18","1","","Sang, Rui-Li; Xu, Li","Reversible formation of regular pentagonal dodecahedral (H2O)20 in a 2D metal‒organic framework","CrystEngComm","2010","12","5","1377","","10.1039/b922161a","","","0.71073","MoKα","","0.0288","0.0229","","","0.0509","0.0536","","","","","","1.03","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212207","20.222","0.003","20.222","0.003","25.168","0.005","90","","90","","120","","8913","3","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","(Ag2Pra2biim)5.33H2O","","","- C12 H22.67 Ag2 N4 O9.33 -","- C12 H22.67 Ag2 N4 O9.33333 -","- C216 H408.06 Ag36 N72 O168 -","18","1","","Sang, Rui-Li; Xu, Li","Reversible formation of regular pentagonal dodecahedral (H2O)20 in a 2D metal‒organic framework","CrystEngComm","2010","12","5","1377","","10.1039/b922161a","","","0.71073","MoKα","","0.042","0.031","","","0.0678","0.0745","","","","","","1.056","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212208","10.861","0.002","17.249","0.002","18.531","0.002","90","","96.916","0.004","90","","3446.4","0.8","108.1","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C19 H23 Cl2 O -","- C19 H20 Cl2 O -","- C152 H160 Cl16 O8 -","8","2","","Takahashi, Hiroki; Ito, Yoshikatsu","Low-temperature-induced reversible single-crystal-to-single-crystal phase transition of 3,4-dichloro-2′,4′,6′-triethylbenzophenone","CrystEngComm","2010","12","5","1628","","10.1039/b922167k","","","0.71075","MoKα","","","0.1868","","","","0.5145","","","","","","1.262","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212209","10.3663","0.0003","15.8579","0.0004","10.7014","0.0003","90","","110.985","0.0009","90","","1642.5","0.08","133.1","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 Cl O -","- C19 H21 Cl O -","- C76 H84 Cl4 O4 -","4","1","","Takahashi, Hiroki; Ito, Yoshikatsu","Low-temperature-induced reversible single-crystal-to-single-crystal phase transition of 3,4-dichloro-2′,4′,6′-triethylbenzophenone","CrystEngComm","2010","12","5","1628","","10.1039/b922167k","","","0.71075","MoKα","","","0.0708","","","","0.2626","","","","","","1.231","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212210","16.994","0.002","16.994","0.002","6.2966","0.0007","90","","90","","120","","1574.8","0.3","173","2","173","2","","","","","","","","4","P 64","P 64","172","","","","- C21.33 H29.33 N4 O2.33 -","- C20 H26 N4 O2 -","- C60 H78 N12 O6 -","3","0.5","","Becerril, Jorge; Bolte, Michael; Burguete, M. Isabel; Escorihuela, Jorge; Galindo, Francisco; Luis, Santiago V.","A simple peptidomimetic that self-associates on the solid state to form a nanoporous architecture containing chiral π-channels","CrystEngComm","2010","12","6","1722","","10.1039/b922172g","","","0.71073","MoKα","","0.0379","0.0348","","","0.0853","0.0869","","","","","","1.111","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212211","8.327","0.002","12.216","0.003","9.643","0.003","90","","98.648","0.006","90","","969.8","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 N4 O2 -","- C20 H26 N4 O2 -","- C40 H52 N8 O4 -","2","0.5","","Becerril, Jorge; Bolte, Michael; Burguete, M. Isabel; Escorihuela, Jorge; Galindo, Francisco; Luis, Santiago V.","A simple peptidomimetic that self-associates on the solid state to form a nanoporous architecture containing chiral π-channels","CrystEngComm","2010","12","6","1722","","10.1039/b922172g","","","0.71073","MoKα","","0.0824","0.0541","","","0.1389","0.1569","","","","","","1.038","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212212","16.939","0.001","16.939","0.001","6.2865","0.0005","90","","90","","120","","1562.12","0.18","173","2","173","2","","","","","","","","5","P 64","P 64","172","","","","- C20.5 H27 Cl N4 O2 -","- C20.5 H27 Cl N4 O2 -","- C61.5 H81 Cl3 N12 O6 -","3","0.5","","Becerril, Jorge; Bolte, Michael; Burguete, M. Isabel; Escorihuela, Jorge; Galindo, Francisco; Luis, Santiago V.","A simple peptidomimetic that self-associates on the solid state to form a nanoporous architecture containing chiral π-channels","CrystEngComm","2010","12","6","1722","","10.1039/b922172g","","","0.71073","MoKα","","0.0843","0.0519","","","0.1183","0.1338","","","","","","1.054","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212213","7.26","0.003","12.744","0.006","16.409","0.008","75.833","0.007","88.378","0.007","87.605","0.007","1470.5","1.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H42 N4 O14 -","- C24 H42 N4 O14 -","- C48 H84 N8 O28 -","2","1","","Xiao, Weiming; Chen, Chao; Deng, Shengjun; Mao, Xuejin; Sun, Bin; Zhang, Ning","Supramolecular assembly of [H(4−n)BPTC]n− with pipzH22+: 1D negatively charged rectangular tubes and a 2D neutral fes 4·82 network","CrystEngComm","2010","12","7","2011","","10.1039/b922188c","","","0.71073","MoKα","","0.1637","0.0804","","","0.2197","0.265","","","","","","1.002","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212214","6.2017","0.0009","8.3441","0.0013","9.6508","0.0014","91.155","0.002","93.378","0.002","94.221","0.002","497.04","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H24 N2 O10 -","- C20 H24 N2 O10 -","- C20 H24 N2 O10 -","1","0.5","","Xiao, Weiming; Chen, Chao; Deng, Shengjun; Mao, Xuejin; Sun, Bin; Zhang, Ning","Supramolecular assembly of [H(4−n)BPTC]n− with pipzH22+: 1D negatively charged rectangular tubes and a 2D neutral fes 4·82 network","CrystEngComm","2010","12","7","2011","","10.1039/b922188c","","","0.71073","MoKα","","0.1187","0.0764","","","0.1883","0.2184","","","","","","1.074","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212215","14.1957","0.001","15.7796","0.0011","18.5297","0.0012","90","","90","","90","","4150.7","0.5","173","2","173","2","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C30 H52 Cd Cl2 N12 O12 -","- C30 H52 Cd Cl2 N12 O12 -","- C120 H208 Cd4 Cl8 N48 O48 -","4","0.25","","Li, Shaoguang; Wu, Biao; Hao, Yongjing; Liu, Yanyan; Yang, Xiao-Juan","1D →1D Two-fold parallel interpenetrated coordination polymers with a bis(pyridylurea) ligand","CrystEngComm","2010","12","7","2001","","10.1039/b922566h","","","0.71073","MoKα","","0.0458","0.0432","","","0.1213","0.1241","","","","","","1.061","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212216","14.2829","0.0014","15.3547","0.0015","18.6193","0.0018","90","","90","","90","","4083.4","0.7","173","2","173","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C30 H40 Cd N14 O12 -","- C30 H40 Cd N14 O12 -","- C120 H160 Cd4 N56 O48 -","4","0.25","","Li, Shaoguang; Wu, Biao; Hao, Yongjing; Liu, Yanyan; Yang, Xiao-Juan","1D →1D Two-fold parallel interpenetrated coordination polymers with a bis(pyridylurea) ligand","CrystEngComm","2010","12","7","2001","","10.1039/b922566h","","","0.71073","MoKα","","0.0574","0.0481","","","0.1039","0.1073","","","","","","1.072","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212217","14.128","0.008","16.005","0.01","18.14","0.011","90","","90","","90","","4102","4","173","2","173","2","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C30 H52 Cl2 Co N12 O12 -","- C30 H52 Cl2 Co N12 O12 -","- C120 H208 Cl8 Co4 N48 O48 -","4","0.25","","Li, Shaoguang; Wu, Biao; Hao, Yongjing; Liu, Yanyan; Yang, Xiao-Juan","1D →1D Two-fold parallel interpenetrated coordination polymers with a bis(pyridylurea) ligand","CrystEngComm","2010","12","7","2001","","10.1039/b922566h","","","0.71073","MoKα","","0.0925","0.0699","","","0.1779","0.1941","","","","","","1.086","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212218","21.53","0.04","18.26","0.04","21.45","0.04","90","","96.11","0.03","90","","8385","3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H52 Co N12 O16 S -","- C30 H40 Co N12 O16 S -","- C240 H320 Co8 N96 O128 S8 -","8","1","","Li, Shaoguang; Wu, Biao; Hao, Yongjing; Liu, Yanyan; Yang, Xiao-Juan","1D →1D Two-fold parallel interpenetrated coordination polymers with a bis(pyridylurea) ligand","CrystEngComm","2010","12","7","2001","","10.1039/b922566h","","","0.71073","MoKα","","0.199","0.1029","","","0.2693","0.3458","","","","","","0.991","","","","has coordinates,has disorder","180453","2020-10-21","18:00:00",""
"7212219","15.9264","0.0005","18.2649","0.0006","19.6173","0.0006","90","","106.103","0.001","90","","5482.7","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H49 Cu5 N8 O18 -","- C58 H49 Cu5 N8 O18 -","- C232 H196 Cu20 N32 O72 -","4","1","","Nadeem, Muhammad Arif; Bhadbhade, Mohan; Bircher, Roland; Stride, John Arron","Three isolated structural motifs in one crystal: penetration of two 1D chains through large cavities within 2D polymeric sheets","CrystEngComm","2010","12","5","1391","","10.1039/b922698m","","","0.71073","MoKα","","0.0375","0.0304","","","0.0985","0.1073","","","","","","0.851","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212220","21.5673","0.0011","10.1496","0.0005","16.1354","0.0005","90","","94.849","0.003","90","","3519.4","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H12 N4 O4 Pb -","- C21 H12 N4 O4 Pb -","- C168 H96 N32 O32 Pb8 -","8","1","","Jin, Juan; Jia, Ming-Jun; Peng, Yu; Hou, Qin; Yu, Jie-Hui; Xu, Ji-Qing","4-Carboxylphthalhydrazidate-bridged layered Pb(ii) coordination polymers","CrystEngComm","2010","12","6","1850","","10.1039/b922767a","","","0.71073","MoKα","","0.0559","0.0404","","","0.0972","0.1031","","","","","","1.007","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212221","10.594","0.002","10.716","0.002","14.99","0.003","85.91","0.03","80.52","0.03","89.68","0.03","1674.2","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H24 N6 O19 Pb4 -","- C27 H12 N6 O19 Pb4 -","- C54 H24 N12 O38 Pb8 -","2","1","","Jin, Juan; Jia, Ming-Jun; Peng, Yu; Hou, Qin; Yu, Jie-Hui; Xu, Ji-Qing","4-Carboxylphthalhydrazidate-bridged layered Pb(ii) coordination polymers","CrystEngComm","2010","12","6","1850","","10.1039/b922767a","","","0.71073","MoKα","","0.0457","0.0384","","","0.106","0.1105","","","","","","1.113","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212222","11.0178","0.0005","7.5596","0.0004","10.9232","0.0005","90","","106.591","0.001","90","","871.92","0.07","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 N4 O2 -","- C8 H6 N4 O2 -","- C32 H24 N16 O8 -","4","1","","Garau, Federica; Monari, Magda; Pandolfo, Luciano; Pettinari, Claudio; Venzo, Alfonso","Crystal structure, supramolecular assembly and preliminary reactivity behaviour of new heteropolytopic ligands based on oxalate/malonate skeleton and azolate moieties","CrystEngComm","2010","12","4","1217","","10.1039/b922874h","","","0.71073","MoKα","","0.07","0.0477","","","0.1235","0.1381","","","","","","1.03","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212223","7.393","0.001","7.6748","0.0011","12.1165","0.0017","75.374","0.002","83.368","0.002","79.04","0.002","651.43","0.16","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H10 N4 O2 -","- C16 H10 N4 O2 -","- C32 H20 N8 O4 -","2","1","","Garau, Federica; Monari, Magda; Pandolfo, Luciano; Pettinari, Claudio; Venzo, Alfonso","Crystal structure, supramolecular assembly and preliminary reactivity behaviour of new heteropolytopic ligands based on oxalate/malonate skeleton and azolate moieties","CrystEngComm","2010","12","4","1217","","10.1039/b922874h","","","0.71073","MoKα","","0.0399","0.0361","","","0.0966","0.1002","","","","","","1.078","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212224","10.0116","0.0004","9.8622","0.0004","19.4872","0.0008","90","","104.437","0.001","90","","1863.34","0.13","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H8 N4 O2 -","- C9 H8 N4 O2 -","- C72 H64 N32 O16 -","8","2","","Garau, Federica; Monari, Magda; Pandolfo, Luciano; Pettinari, Claudio; Venzo, Alfonso","Crystal structure, supramolecular assembly and preliminary reactivity behaviour of new heteropolytopic ligands based on oxalate/malonate skeleton and azolate moieties","CrystEngComm","2010","12","4","1217","","10.1039/b922874h","","","0.71073","MoKα","","0.0714","0.0436","","","0.1016","0.1114","","","","","","1.021","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212225","7.6935","0.0004","14.8559","0.0008","12.8855","0.0007","90","","105.972","0.002","90","","1415.88","0.13","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H12 N4 O2 -","- C17 H12 N4 O2 -","- C68 H48 N16 O8 -","4","1","","Garau, Federica; Monari, Magda; Pandolfo, Luciano; Pettinari, Claudio; Venzo, Alfonso","Crystal structure, supramolecular assembly and preliminary reactivity behaviour of new heteropolytopic ligands based on oxalate/malonate skeleton and azolate moieties","CrystEngComm","2010","12","4","1217","","10.1039/b922874h","","","0.71073","MoKα","","0.0763","0.0448","","","0.1126","0.1265","","","","","","1.01","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212226","10.3247","0.0004","15.4035","0.0007","8.3413","0.0004","90","","98.056","0.001","90","","1313.48","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 Cu N8 O8 -","- C20 H26 Cu N8 O8 -","- C40 H52 Cu2 N16 O16 -","2","0.5","","Garau, Federica; Monari, Magda; Pandolfo, Luciano; Pettinari, Claudio; Venzo, Alfonso","Crystal structure, supramolecular assembly and preliminary reactivity behaviour of new heteropolytopic ligands based on oxalate/malonate skeleton and azolate moieties","CrystEngComm","2010","12","4","1217","","10.1039/b922874h","","","0.71073","MoKα","","0.0787","0.0534","","","0.1567","0.1711","","","","","","1.06","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212227","15.6709","0.0013","10.8951","0.0009","11.3147","0.001","90","","90","","90","","1931.8","0.3","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C15 H26 Cu N4 O5 -","- C15 H23.128 Cu N4 O5.128 -","- C60 H92.512 Cu4 N16 O20.512 -","4","0.5","","Garau, Federica; Monari, Magda; Pandolfo, Luciano; Pettinari, Claudio; Venzo, Alfonso","Crystal structure, supramolecular assembly and preliminary reactivity behaviour of new heteropolytopic ligands based on oxalate/malonate skeleton and azolate moieties","CrystEngComm","2010","12","4","1217","","10.1039/b922874h","","","0.71073","MoKα","","0.0558","0.0315","","","0.0849","0.1001","","","","","","1.025","","","","has coordinates,has disorder","180453","2020-10-21","18:00:00",""
"7212228","17.216","0.003","6.674","0.001","23.473","0.005","90","","90","","90","","2697","0.8","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","Isophthalic acid DABCO","","","- C14 H18 N2 O4 -","- C14 H18 N2 O4 -","- C112 H144 N16 O32 -","8","1","","Marivel, Samipillai; Braga, Dario; Grepioni, Fabrizia; Lampronti, Giulio I.","Mechanochemical preparation of adducts (co-crystals and molecular salts) of 1,4-diazabicyclo-[2.2.2]-octane with aromatic polycarboxylic acids","CrystEngComm","2010","12","7","2107","","10.1039/b922915a","","","0.71073","MoKα","","0.1838","0.0575","","","0.1145","0.1513","","","","","","0.865","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212229","21.223","0.002","6.675","0.001","10.304","0.001","90","","116.45","0.01","90","","1306.9","0.3","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","Dinicotinic acid DABCO","","","- C26 H34 N6 O8 -","- C26 H34 N6 O8 -","- C52 H68 N12 O16 -","2","0.25","","Marivel, Samipillai; Braga, Dario; Grepioni, Fabrizia; Lampronti, Giulio I.","Mechanochemical preparation of adducts (co-crystals and molecular salts) of 1,4-diazabicyclo-[2.2.2]-octane with aromatic polycarboxylic acids","CrystEngComm","2010","12","7","2107","","10.1039/b922915a","","","0.71073","MoKα","","0.0905","0.0428","","","0.103","0.1136","","","","","","0.918","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212230","10.275","0.001","7.122","0.001","17.45","0.001","90","","90","","90","","1277","0.2","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","Dipicolinic acid DABCO","","","- C13 H17 N3 O4 -","- C13 H17 N3 O4 -","- C52 H68 N12 O16 -","4","0.5","","Marivel, Samipillai; Braga, Dario; Grepioni, Fabrizia; Lampronti, Giulio I.","Mechanochemical preparation of adducts (co-crystals and molecular salts) of 1,4-diazabicyclo-[2.2.2]-octane with aromatic polycarboxylic acids","CrystEngComm","2010","12","7","2107","","10.1039/b922915a","","","0.71073","MoKα","","0.0541","0.04","","","0.1158","0.1219","","","","","","1.063","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212231","9.3743","0.0007","10.3573","0.0006","12.2042","0.0007","84.468","0.005","83.268","0.005","67.587","0.007","1086.15","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H33 N5 O6 -","- C19 H33 N5 O6 -","- C38 H66 N10 O12 -","2","1","","Marivel, Samipillai; Braga, Dario; Grepioni, Fabrizia; Lampronti, Giulio I.","Mechanochemical preparation of adducts (co-crystals and molecular salts) of 1,4-diazabicyclo-[2.2.2]-octane with aromatic polycarboxylic acids","CrystEngComm","2010","12","7","2107","","10.1039/b922915a","","","0.71073","MoKα","","0.1207","0.0677","","","0.1786","0.1984","","","","","","1.039","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212232","10.9881","0.0019","4.3351","0.0007","20.561","0.004","90","","98.561","0.003","90","","968.5","0.3","180","2","180","2","","","","","","","","3","P 1 2/n 1","-P 2yac","13","","","","- C11 H10 N4 -","- C11 H10 N4 -","- C44 H40 N16 -","4","1","","Petitjean, Anne; Xing, Liyan; Wang, Ruiyao","Functional formamidines: pyridine substituents make an exception in the usual doubly hydrogen-bonded formamidine dimer","CrystEngComm","2010","12","5","1397","","10.1039/b922918c","","","0.71073","MoKα","","0.0436","0.0331","","","0.0843","0.0893","","","","","","0.973","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212233","11.7861","0.0005","7.229","0.0003","23.2069","0.0009","90","","90","","90","","1977.27","0.14","180","2","180","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C11 H10 N4 -","- C11 H10 N4 -","- C88 H80 N32 -","8","1","","Petitjean, Anne; Xing, Liyan; Wang, Ruiyao","Functional formamidines: pyridine substituents make an exception in the usual doubly hydrogen-bonded formamidine dimer","CrystEngComm","2010","12","5","1397","","10.1039/b922918c","","","0.71073","MoKα","","0.0357","0.0322","","","0.0855","0.0893","","","","","","1.059","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212234","10.035","0.002","21.349","0.004","11.489","0.002","90","","105.67","0.03","90","","2369.9","0.8","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C49 H60 Br Cu2 K N4 O9 -","- C49 H60 Br Cu2 K N4 O9 -","- C98 H120 Br2 Cu4 K2 N8 O18 -","2","1","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Host‒guest chemistry of a chiral Schiff base copper(ii) complex: can chiral information be transferred to the guest cation?","CrystEngComm","2010","12","6","1764","","10.1039/b922929a","","","0.71073","MoKα","","0.0482","0.0475","","","0.1195","0.1204","","","","","","1.06","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212235","9.83","0.002","11.531","0.002","12.209","0.002","105.53","0.03","103.18","0.03","105.74","0.03","1214.1","0.6","173","","173","","","","","","","","","7","P 1","P 1","1","","","","- C49.8 H59.2 Cu2 K N5 O8.8 S -","- C49.8 H59.2 Cu2 K N5 O8.8 S -","- C49.8 H59.2 Cu2 K N5 O8.8 S -","1","1","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Host‒guest chemistry of a chiral Schiff base copper(ii) complex: can chiral information be transferred to the guest cation?","CrystEngComm","2010","12","6","1764","","10.1039/b922929a","","","0.71073","MoKα","","0.0466","0.042","","0.0543","0.0474","0.0469","","","","","","1.0761","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212236","11.2594","0.0004","26.5238","0.0009","16.2911","0.0006","90","","103.393","0.002","90","","4732.9","0.3","123","","123","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C48 H56 Cl2 Cs Cu3 N4 O8 -","- C48 H56 Cl2 Cs Cu3 N4 O8 -","- C192 H224 Cl8 Cs4 Cu12 N16 O32 -","4","2","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Host‒guest chemistry of a chiral Schiff base copper(ii) complex: can chiral information be transferred to the guest cation?","CrystEngComm","2010","12","6","1764","","10.1039/b922929a","","","0.71073","MoKα","","0.025","0.0205","","0.0298","0.0226","0.0223","","","","","","1.0968","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212237","13.795","0.003","13.814","0.003","15.431","0.003","90","","104.92","0.03","90","","2841.5","1.1","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H32 Ca Cu N4 O11 -","- C25 H32 Ca Cu N4 O11 -","- C100 H128 Ca4 Cu4 N16 O44 -","4","2","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Host‒guest chemistry of a chiral Schiff base copper(ii) complex: can chiral information be transferred to the guest cation?","CrystEngComm","2010","12","6","1764","","10.1039/b922929a","","","0.71073","MoKα","","0.0275","0.0268","","","0.0717","0.0722","","","","","","1.096","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7212238","8.2295","0.0016","12.197","0.002","14.914","0.003","95.73","0.03","103.29","0.03","91.14","0.03","1448.2","0.5","173","2","173","2","","","","","","","","7","P 1","P 1","1","","","","- C26 H36 Cl Cu N2 Na O10 -","- C26 H36 Cl Cu N2 Na O10 -","- C52 H72 Cl2 Cu2 N4 Na2 O20 -","2","2","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Host‒guest chemistry of a chiral Schiff base copper(ii) complex: can chiral information be transferred to the guest cation?","CrystEngComm","2010","12","6","1764","","10.1039/b922929a","","","0.71073","MoKα","","0.0305","0.0294","","","0.0792","0.0801","","","","","","1.032","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212239","18.444","0.004","14.311","0.003","21.715","0.004","90","","95.94","0.03","90","","5701","2","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C99 H125 Ba2 Cu4 I8 N8 O19.5 -","- C99 H124 Ba2 Cu4 I8 N8 O19.5 -","- C198 H248 Ba4 Cu8 I16 N16 O39 -","2","1","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Host‒guest chemistry of a chiral Schiff base copper(ii) complex: can chiral information be transferred to the guest cation?","CrystEngComm","2010","12","6","1764","","10.1039/b922929a","","","0.71073","MoKα","","0.0522","0.0511","","","0.1408","0.1422","","","","","","1.069","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7212240","14.248","0.003","17.705","0.004","9.7119","0.0019","90","","108.86","0.03","90","","2318.4","0.9","173","2","173","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C48 H60 Cu2 F6 N5 O8 P -","- C48 H60 Cu2 F6 N5 O8 P -","- C96 H120 Cu4 F12 N10 O16 P2 -","2","0.5","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Host‒guest chemistry of a chiral Schiff base copper(ii) complex: can chiral information be transferred to the guest cation?","CrystEngComm","2010","12","6","1764","","10.1039/b922929a","","","0.71073","MoKα","","0.0253","0.0245","","","0.0661","0.0668","","","","","","1.058","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212241","15.3209","0.0004","20.8764","0.0004","6.7682","0.0002","90","","90","","90","","2164.78","0.09","123","","123","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C24 H28 Cu N2 O4 -","- C24 H28 Cu N2 O4 -","- C96 H112 Cu4 N8 O16 -","4","0.5","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Host‒guest chemistry of a chiral Schiff base copper(ii) complex: can chiral information be transferred to the guest cation?","CrystEngComm","2010","12","6","1764","","10.1039/b922929a","","","0.71073","MoKα","","0.0248","0.0229","","0.0311","0.024","0.0231","","","","","","0.9826","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212242","4.6837","0.0005","3.4226","0.0005","5.1288","0.0006","90","","99.54","0.01","90","","81.08","0.018","","","","","","","","","","","Tenorite - synthetic from Na2 C O3 flux at 1173 K for 20 h, slowly cooled","2","C 1 2/c 1","-C 2yc","15","","Copper Oxide","Tenorite","- Cu O -","- Cu O -","- Cu4 O4 -","4","0.5","","Volanti, Diogo P.; Orlandi, Marcelo O.; Andrés, Juan; Longo, Elson","Efficient microwave-assisted hydrothermal synthesis of CuO sea urchin-like architectures via a mesoscale self-assembly","CrystEngComm","2010","12","6","1696","","10.1039/b922978g","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212243","15.6671","0.0002","15.6671","0.0002","12.6333","0.0002","90","","90","","90","","3100.94","0.07","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C12 H12 Co N8 O3 -","- C12 H12 Co N8 O3 -","- C96 H96 Co8 N64 O24 -","8","0.5","","Lin, Qi-Pu; Zhang, Jian; Cao, Xin-Yi; Yao, Yuan-Gen; Li, Zhao-Ji; Zhang, Lei; Zhou, Zhang-Feng","Canted antiferromagnetic behaviours in isostructural Co(ii) and Ni(ii) frameworks with helical lvt topology","CrystEngComm","2010","12","10","2938","","10.1039/b923235d","","","0.71073","MoKα","","0.0459","0.0416","","","0.0899","0.0921","","","","","","1.003","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212244","15.547","0.001","15.547","0.001","12.4988","0.0013","90","","90","","90","","3021.1","0.4","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C12 H12 N8 Ni O3 -","- C12 H12 N8 Ni O3 -","- C96 H96 N64 Ni8 O24 -","8","0.5","","Lin, Qi-Pu; Zhang, Jian; Cao, Xin-Yi; Yao, Yuan-Gen; Li, Zhao-Ji; Zhang, Lei; Zhou, Zhang-Feng","Canted antiferromagnetic behaviours in isostructural Co(ii) and Ni(ii) frameworks with helical lvt topology","CrystEngComm","2010","12","10","2938","","10.1039/b923235d","","","0.71073","MoKα","","0.0416","0.0392","","","0.0979","0.1","","","","","","1.007","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212246","11.9278","0.0007","9.3661","0.0007","11.4995","0.0008","90","","119.034","0.005","90","","1123.24","0.14","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 N2 O2 -","- C12 H18 N2 O2 -","- C48 H72 N8 O8 -","4","1","","Ye, Heng-Yun; Ge, Jia-Zhen; Chen, Fang; Xiong, Ren-Gen","Reversible phase transition of the 1 : 1 co-crystal of 1,4-diazabicyclo-[2.2.2]octane (DABCO) and hydroquinone,","CrystEngComm","2010","12","6","1705","","10.1039/b923314h","","","0.71075","MoKα","","0.046","0.0381","","","0.1082","0.1134","","","","","","1.084","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212247","11.951","0.002","9.507","0.0019","11.672","0.002","90","","118.95","0.03","90","","1160.4","0.5","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H18 N2 O2 -","- C12 H18 N2 O2 -","- C48 H72 N8 O8 -","4","0.5","","Ye, Heng-Yun; Ge, Jia-Zhen; Chen, Fang; Xiong, Ren-Gen","Reversible phase transition of the 1 : 1 co-crystal of 1,4-diazabicyclo-[2.2.2]octane (DABCO) and hydroquinone,","CrystEngComm","2010","12","6","1705","","10.1039/b923314h","","","0.71075","MoKα","","0.07","0.0522","","","0.1252","0.1356","","","","","","1.048","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212248","11.9322","0.001","9.4337","0.0009","11.5728","0.0011","90","","119.001","0.007","90","","1139.3","0.2","213","2","213","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H18 N2 O2 -","- C12 H18 N2 O2 -","- C48 H72 N8 O8 -","4","0.5","","Ye, Heng-Yun; Ge, Jia-Zhen; Chen, Fang; Xiong, Ren-Gen","Reversible phase transition of the 1 : 1 co-crystal of 1,4-diazabicyclo-[2.2.2]octane (DABCO) and hydroquinone,","CrystEngComm","2010","12","6","1705","","10.1039/b923314h","","","0.71075","MoKα","","0.0477","0.0455","","","0.121","0.1234","","","","","","1.086","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212249","17.3784","0.0004","21.2929","0.0006","21.9656","0.0005","90","","90","","90","","8128.1","0.3","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C43 H35.5 Cd2 N2 O12.75 -","- C43 H30.5 Cd2 N2 O12.75 -","- C344 H244 Cd16 N16 O102 -","8","1","","Liu, Chun-Sen; Wang, Jun-Jie; Chang, Ze; Yan, Li-Fen; Bu, Xian-He","Cadmium(ii) coordination polymers based on a bulky anthracene-based dicarboxylate ligand: crystal structures and luminescent properties","CrystEngComm","2010","12","6","1833","","10.1039/b923516g","","","0.71073","MoKα","","0.0768","0.0507","","","0.1287","0.1445","","","","","","1.02","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7212250","9.7828","0.0009","12.1306","0.0012","17.092","0.002","105.588","0.002","99.624","0.002","100.178","0.002","1873","0.3","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H58 Cd2 N8 O12 -","- C96 H58 Cd2 N8 O12 -","- C96 H58 Cd2 N8 O12 -","1","0.5","","Liu, Chun-Sen; Wang, Jun-Jie; Chang, Ze; Yan, Li-Fen; Bu, Xian-He","Cadmium(ii) coordination polymers based on a bulky anthracene-based dicarboxylate ligand: crystal structures and luminescent properties","CrystEngComm","2010","12","6","1833","","10.1039/b923516g","","","0.71073","MoKα","","0.088","0.0419","","","0.084","0.0955","","","","","","0.947","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212251","20.542","0.005","28.488","0.007","20.519","0.005","90","","99.776","0.005","90","","11833","5","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H44 Cd2 N12 O8 -","- C64 H44 Cd2 N12 O8 -","- C512 H352 Cd16 N96 O64 -","8","1","","Liu, Chun-Sen; Wang, Jun-Jie; Chang, Ze; Yan, Li-Fen; Bu, Xian-He","Cadmium(ii) coordination polymers based on a bulky anthracene-based dicarboxylate ligand: crystal structures and luminescent properties","CrystEngComm","2010","12","6","1833","","10.1039/b923516g","","","0.7107","MoKα","","0.1116","0.0857","","","0.2326","0.2555","","","","","","1.094","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212252","18.56","0.002","20.499","0.002","20.761","0.003","90","","90","","90","","7898.8","1.6","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H46 Cd N2 O11 -","- C42 H46 Cd N2 O11 -","- C336 H368 Cd8 N16 O88 -","8","1","","Liu, Chun-Sen; Wang, Jun-Jie; Chang, Ze; Yan, Li-Fen; Bu, Xian-He","Cadmium(ii) coordination polymers based on a bulky anthracene-based dicarboxylate ligand: crystal structures and luminescent properties","CrystEngComm","2010","12","6","1833","","10.1039/b923516g","","","0.7107","MoKα","","0.081","0.0647","","","0.1482","0.1599","","","","","","1.078","","","","has coordinates,has disorder","180453","2020-10-21","18:00:00",""
"7212253","28.256","0.006","14.188","0.003","23.568","0.005","90","","100.214","0.002","90","","9299","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42.5 H32.5 Mn3.5 N6.5 O25.5 -","- C42.5 H32.5 Mn3.5 N6.5 O25.5 -","- C340 H260 Mn28 N52 O204 -","8","1","","Ma, Lu-Fang; Liu, Bin; Wang, Li-Ya; Hu, Jiang-Liang; Du, Miao","Hydrothermal preparation, crystal structures and properties of novel Mn(ii) metal‒organic frameworks with 5-nitro-1,2,3-benzenetricarboxylate and various dipyridyl ligands","CrystEngComm","2010","12","5","1439","","10.1039/b923522c","","","0.71073","MoKα","","0.0663","0.0487","","","0.1276","0.145","","","","","","1.045","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7212254","13.287","0.002","11.6791","0.0018","16.141","0.003","90","","90.408","0.002","90","","2504.7","0.7","294","2","294","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C48 H36 Mn3 N8 O20 -","- C48 H36 Mn3 N8 O20 -","- C96 H72 Mn6 N16 O40 -","2","0.5","","Ma, Lu-Fang; Liu, Bin; Wang, Li-Ya; Hu, Jiang-Liang; Du, Miao","Hydrothermal preparation, crystal structures and properties of novel Mn(ii) metal‒organic frameworks with 5-nitro-1,2,3-benzenetricarboxylate and various dipyridyl ligands","CrystEngComm","2010","12","5","1439","","10.1039/b923522c","","","0.71073","MoKα","","0.0415","0.0347","","","0.0987","0.1042","","","","","","1.04","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212255","8.132","0.005","8.361","0.005","17.745","0.011","80.079","0.006","80.508","0.006","82.299","0.006","1165.3","1.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H40 Mn3 N6 O24 -","- C42 H40 Mn3 N6 O24 -","- C42 H40 Mn3 N6 O24 -","1","0.5","","Ma, Lu-Fang; Liu, Bin; Wang, Li-Ya; Hu, Jiang-Liang; Du, Miao","Hydrothermal preparation, crystal structures and properties of novel Mn(ii) metal‒organic frameworks with 5-nitro-1,2,3-benzenetricarboxylate and various dipyridyl ligands","CrystEngComm","2010","12","5","1439","","10.1039/b923522c","","","0.71073","MoKα","","0.0328","0.028","","","0.0726","0.0762","","","","","","1.015","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212256","11.1537","0.0011","11.1636","0.0011","18.4683","0.0018","83.616","0.001","74.846","0.001","67.302","0.001","2047.6","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H34 Mn3 N5 O22 -","- C36 H34 Mn3 N5 O22 -","- C72 H68 Mn6 N10 O44 -","2","1","","Ma, Lu-Fang; Liu, Bin; Wang, Li-Ya; Hu, Jiang-Liang; Du, Miao","Hydrothermal preparation, crystal structures and properties of novel Mn(ii) metal‒organic frameworks with 5-nitro-1,2,3-benzenetricarboxylate and various dipyridyl ligands","CrystEngComm","2010","12","5","1439","","10.1039/b923522c","","","0.71073","MoKα","","0.0552","0.0422","","","0.1059","0.1159","","","","","","1.048","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212257","7.3062","0.0007","10.7744","0.0011","15.5261","0.0015","79.757","0.001","77.641","0.001","81.743","0.001","1167.8","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H40 Mn3 N6 O20 -","- C44 H40 Mn3 N6 O20 -","- C44 H40 Mn3 N6 O20 -","1","0.5","","Ma, Lu-Fang; Liu, Bin; Wang, Li-Ya; Hu, Jiang-Liang; Du, Miao","Hydrothermal preparation, crystal structures and properties of novel Mn(ii) metal‒organic frameworks with 5-nitro-1,2,3-benzenetricarboxylate and various dipyridyl ligands","CrystEngComm","2010","12","5","1439","","10.1039/b923522c","","","0.71073","MoKα","","0.0341","0.0302","","","0.075","0.0781","","","","","","1.04","","","","has coordinates,has disorder","180453","2020-10-21","18:00:00",""
"7212258","11.242","0.0014","14.367","0.0019","16.751","0.002","90","","109.518","0.002","90","","2550","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H26 N4 O12 P4 Zn3 -","- C12 H22 N4 O12 P4 Zn3 -","- C48 H88 N16 O48 P16 Zn12 -","4","1","","Feng, Jing-Dong; Shao, Kui-Zhan; Tang, Shu-Wei; Wang, Rong-Shun; Su, Zhong-Min","Ionothermal synthesis of a new open-framework zinc phosphite NIS-3 with low framework density","CrystEngComm","2010","12","5","1401","","10.1039/b923583c","","","0.71069","MoKα","","0.135","0.1023","","","0.3799","0.4019","","","","","","1.067","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212259","11.224","0.0015","14.354","0.0019","16.709","0.002","90","","109.33","0.002","90","","2540.2","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H26 N4 O12 P4 Zn3 -","- C12 H26 N4 O12 P4 Zn3 -","- C48 H104 N16 O48 P16 Zn12 -","4","1","","Feng, Jing-Dong; Shao, Kui-Zhan; Tang, Shu-Wei; Wang, Rong-Shun; Su, Zhong-Min","Ionothermal synthesis of a new open-framework zinc phosphite NIS-3 with low framework density","CrystEngComm","2010","12","5","1401","","10.1039/b923583c","","","0.71069","MoKα","","0.1113","0.0629","","","0.1753","0.1968","","","","","","1.082","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212260","19.1839","0.0008","9.7221","0.0004","22.3927","0.001","90","","99.843","0.01","90","","4114.9","0.3","100","2","100","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C23 H28 N2 O3 -","- C23 H28 N2 O3 -","- C184 H224 N16 O24 -","8","1","","Nichol, Gary S.; Kumirov, Vlad K.; Vardanyan, Ruben; Hruby, Victor J.","Proton sharing and transfer in some zwitterionic compounds based on 4-oxo-4-((1-phenethylpiperidin-4-yl)(phenyl)amino)alcanoic acids","CrystEngComm","2010","12","11","3651","","10.1039/b923698h","","","0.7749","synchrotron","","0.0471","0.0407","","","0.1055","0.1092","","","","","","1.078","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212261","9.2383","0.0005","9.3034","0.0005","14.4329","0.0008","75.858","0.003","80.777","0.003","74.672","0.003","1154","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C23.5 H32 N2 O5.5 -","- C23.5 H32 N2 O5.5 -","- C47 H64 N4 O11 -","2","1","","Nichol, Gary S.; Kumirov, Vlad K.; Vardanyan, Ruben; Hruby, Victor J.","Proton sharing and transfer in some zwitterionic compounds based on 4-oxo-4-((1-phenethylpiperidin-4-yl)(phenyl)amino)alcanoic acids","CrystEngComm","2010","12","11","3651","","10.1039/b923698h","","","1.54178","CuKα","","0.053","0.0444","","","0.1259","0.1338","","","","","","1.059","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7212262","9.3005","0.0004","9.7222","0.0005","14.423","0.0007","78.622","0.004","75.813","0.003","74.623","0.003","1206.84","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H38 N2 O5 -","- C24 H30 N2 O3 -","- C48 H60 N4 O6 -","2","1","","Nichol, Gary S.; Kumirov, Vlad K.; Vardanyan, Ruben; Hruby, Victor J.","Proton sharing and transfer in some zwitterionic compounds based on 4-oxo-4-((1-phenethylpiperidin-4-yl)(phenyl)amino)alcanoic acids","CrystEngComm","2010","12","11","3651","","10.1039/b923698h","","","1.54178","CuKα","","0.0639","0.0497","","","0.1284","0.1356","","","","","","1.056","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212263","9.3807","0.0004","14.829","0.0007","17.4244","0.0009","85.655","0.004","78.993","0.004","76.609","0.003","2313.31","0.19","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24.5 H34 N2 O4.5 -","- C24.5 H34 N2 O4.5 -","- C98 H136 N8 O18 -","4","2","","Nichol, Gary S.; Kumirov, Vlad K.; Vardanyan, Ruben; Hruby, Victor J.","Proton sharing and transfer in some zwitterionic compounds based on 4-oxo-4-((1-phenethylpiperidin-4-yl)(phenyl)amino)alcanoic acids","CrystEngComm","2010","12","11","3651","","10.1039/b923698h","","","1.54178","CuKα","","0.0696","0.052","","","0.1372","0.1482","","","","","","1.048","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212264","9.991","0.002","22.751","0.005","7.1579","0.0016","90","","90","","90","","1627","0.6","298","2","298","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C18 H14 N4 O5 -","- C18 H14 N4 O5 -","- C72 H56 N16 O20 -","4","0.5","","Hou, Gui-Ge; Ma, Jian-Ping; Wang, Le; Wang, Ping; Dong, Yu-Bin; Huang, Ru-Qi","Co-crystallization of oxadiazole-bridged pyridyl-N-oxide building modules with R-aromatics (R = ‒OH, ‒NH2 and ‒COOH)","CrystEngComm","2010","12","12","4287","","10.1039/b923810g","","","0.71073","MoKα","","0.0577","0.0427","","","0.1078","0.1168","","","","","","1.031","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212265","30.724","0.015","7.369","0.004","20.92","0.01","90","","131.282","0.006","90","","3559","3","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C19 H14 N4 O6 -","- C19 H14 N4 O6 -","- C152 H112 N32 O48 -","8","2","","Hou, Gui-Ge; Ma, Jian-Ping; Wang, Le; Wang, Ping; Dong, Yu-Bin; Huang, Ru-Qi","Co-crystallization of oxadiazole-bridged pyridyl-N-oxide building modules with R-aromatics (R = ‒OH, ‒NH2 and ‒COOH)","CrystEngComm","2010","12","12","4287","","10.1039/b923810g","","","0.71073","MoKα","","0.0873","0.0606","","","0.1063","0.1171","","","","","","1.088","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212266","10.686","0.002","7.0251","0.0016","23.755","0.006","90","","99.459","0.004","90","","1759","0.7","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 N4 O7 -","- C19 H14 N4 O7 -","- C76 H56 N16 O28 -","4","1","","Hou, Gui-Ge; Ma, Jian-Ping; Wang, Le; Wang, Ping; Dong, Yu-Bin; Huang, Ru-Qi","Co-crystallization of oxadiazole-bridged pyridyl-N-oxide building modules with R-aromatics (R = ‒OH, ‒NH2 and ‒COOH)","CrystEngComm","2010","12","12","4287","","10.1039/b923810g","","","0.71073","MoKα","","0.1106","0.0764","","","0.2141","0.239","","","","","","1.043","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212267","11.037","0.003","7.1184","0.0019","11.835","0.003","90","","108.271","0.004","90","","882.9","0.4","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H15 N5 O5 -","- C19 H15 N5 O5 -","- C38 H30 N10 O10 -","2","1","","Hou, Gui-Ge; Ma, Jian-Ping; Wang, Le; Wang, Ping; Dong, Yu-Bin; Huang, Ru-Qi","Co-crystallization of oxadiazole-bridged pyridyl-N-oxide building modules with R-aromatics (R = ‒OH, ‒NH2 and ‒COOH)","CrystEngComm","2010","12","12","4287","","10.1039/b923810g","","","0.71073","MoKα","","0.0706","0.0436","","","0.0705","0.0763","","","","","","1.001","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212268","11.449","0.005","7.804","0.003","38.548","0.015","90","","97.216","0.006","90","","3417","2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N4 O6.5 -","- C18 H15 N4 O6.5 -","- C144 H120 N32 O52 -","8","2","","Hou, Gui-Ge; Ma, Jian-Ping; Wang, Le; Wang, Ping; Dong, Yu-Bin; Huang, Ru-Qi","Co-crystallization of oxadiazole-bridged pyridyl-N-oxide building modules with R-aromatics (R = ‒OH, ‒NH2 and ‒COOH)","CrystEngComm","2010","12","12","4287","","10.1039/b923810g","","","0.71073","MoKα","","0.0821","0.0482","","","0.1145","0.1317","","","","","","1.025","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212269","9.4118","0.0018","7.0994","0.0014","26.666","0.005","90","","95.805","0.003","90","","1772.6","0.6","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 N4 O6 -","- C18 H16 N4 O6 -","- C72 H64 N16 O24 -","4","1","","Hou, Gui-Ge; Ma, Jian-Ping; Wang, Le; Wang, Ping; Dong, Yu-Bin; Huang, Ru-Qi","Co-crystallization of oxadiazole-bridged pyridyl-N-oxide building modules with R-aromatics (R = ‒OH, ‒NH2 and ‒COOH)","CrystEngComm","2010","12","12","4287","","10.1039/b923810g","","","0.71073","MoKα","","0.062","0.045","","","0.1034","0.111","","","","","","1.056","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212270","12.002","0.004","7.804","0.003","35.338","0.011","90","","92.773","0.006","90","","3306","2","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C72 H58 N16 O21 -","- C72 H58 N16 O21 -","- C144 H116 N32 O42 -","2","0.25","","Hou, Gui-Ge; Ma, Jian-Ping; Wang, Le; Wang, Ping; Dong, Yu-Bin; Huang, Ru-Qi","Co-crystallization of oxadiazole-bridged pyridyl-N-oxide building modules with R-aromatics (R = ‒OH, ‒NH2 and ‒COOH)","CrystEngComm","2010","12","12","4287","","10.1039/b923810g","","","0.71073","MoKα","","0.1401","0.0641","","","0.1333","0.1649","","","","","","1.009","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212271","10.351","0.003","6.9394","0.0018","13.099","0.003","90","","108.018","0.004","90","","894.8","0.4","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H14 N4 O7 -","- C19 H14 N4 O7 -","- C38 H28 N8 O14 -","2","1","","Hou, Gui-Ge; Ma, Jian-Ping; Wang, Le; Wang, Ping; Dong, Yu-Bin; Huang, Ru-Qi","Co-crystallization of oxadiazole-bridged pyridyl-N-oxide building modules with R-aromatics (R = ‒OH, ‒NH2 and ‒COOH)","CrystEngComm","2010","12","12","4287","","10.1039/b923810g","","","0.71073","MoKα","","0.0497","0.0415","","","0.0857","0.0902","","","","","","1.037","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212272","5.542","0.0017","12.465","0.004","16.069","0.005","90","","90","","90","","1110.1","0.6","298","2","298","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C12 H8 N4 O3 -","- C12 H8 N4 O3 -","- C48 H32 N16 O12 -","4","0.5","","Hou, Gui-Ge; Ma, Jian-Ping; Wang, Le; Wang, Ping; Dong, Yu-Bin; Huang, Ru-Qi","Co-crystallization of oxadiazole-bridged pyridyl-N-oxide building modules with R-aromatics (R = ‒OH, ‒NH2 and ‒COOH)","CrystEngComm","2010","12","12","4287","","10.1039/b923810g","","","0.71073","MoKα","","0.1038","0.0547","","","0.1125","0.1261","","","","","","0.963","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212273","8.7594","0.0016","15.754","0.003","15.889","0.003","76.862","0.003","87.533","0.004","86.832","0.003","2130.9","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H57 N5 O2 -","- C45 H57 N5 O2 -","- C90 H114 N10 O4 -","2","1","","Wu, Biao; Yang, Jin; Liu, Yanyan; Zhuge, Fuyu; Tang, Ning; Yang, Xiao-Juan","Solvent-directed conformational variation of Co(ii)/(iii) complexes with a diiminopyridine ligand","CrystEngComm","2010","12","10","2755","","10.1039/b923820d","","","0.71073","MoKα","","0.1948","0.0672","","","0.1518","0.2035","","","","","","0.918","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212274","9.2955","0.0018","13.604","0.003","18.883","0.004","80.997","0.003","88.164","0.003","81.838","0.003","2334.4","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C87 H100 Cl4 Co N10 -","- C87 H100 Cl4 Co N10 -","- C87 H100 Cl4 Co N10 -","1","0.5","","Wu, Biao; Yang, Jin; Liu, Yanyan; Zhuge, Fuyu; Tang, Ning; Yang, Xiao-Juan","Solvent-directed conformational variation of Co(ii)/(iii) complexes with a diiminopyridine ligand","CrystEngComm","2010","12","10","2755","","10.1039/b923820d","","","0.71073","MoKα","","0.1525","0.083","","","0.2374","0.2868","","","","","","1.005","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212275","9.3682","0.0018","13.489","0.003","19.188","0.004","98.737","0.003","91.191","0.004","97.732","0.004","2372.7","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C87 H100 Cl2 Co N12 O6 -","- C87 H100 Cl2 Co N12 O6 -","- C87 H100 Cl2 Co N12 O6 -","1","0.5","","Wu, Biao; Yang, Jin; Liu, Yanyan; Zhuge, Fuyu; Tang, Ning; Yang, Xiao-Juan","Solvent-directed conformational variation of Co(ii)/(iii) complexes with a diiminopyridine ligand","CrystEngComm","2010","12","10","2755","","10.1039/b923820d","","","0.71073","MoKα","","0.1192","0.0807","","","0.2086","0.2398","","","","","","0.994","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212276","23.382","0.003","22.002","0.003","21.936","0.003","90","","90","","90","","11285","3","293","2","293","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C43 H49 Cl5 Co2 N5 -","- C43 H49 Cl5 Co2 N5 -","- C344 H392 Cl40 Co16 N40 -","8","0.5","","Wu, Biao; Yang, Jin; Liu, Yanyan; Zhuge, Fuyu; Tang, Ning; Yang, Xiao-Juan","Solvent-directed conformational variation of Co(ii)/(iii) complexes with a diiminopyridine ligand","CrystEngComm","2010","12","10","2755","","10.1039/b923820d","","","0.71073","MoKα","","0.1075","0.0677","","","0.1901","0.2101","","","","","","0.958","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212277","13.3784","0.0013","24.485","0.002","18.8723","0.0018","90","","100.633","0.002","90","","6075.9","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C90 H104 Co4 N20 O24 -","- C90 H104 Co4 N20 O24 -","- C180 H208 Co8 N40 O48 -","2","0.5","","Wu, Biao; Yang, Jin; Liu, Yanyan; Zhuge, Fuyu; Tang, Ning; Yang, Xiao-Juan","Solvent-directed conformational variation of Co(ii)/(iii) complexes with a diiminopyridine ligand","CrystEngComm","2010","12","10","2755","","10.1039/b923820d","","","0.71073","MoKα","","0.1141","0.058","","","0.1389","0.1561","","","","","","0.901","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212283","3.9802","0.0008","13.615","0.003","17.671","0.004","90","","93.72","0.03","90","","955.6","0.4","298","0.2","298","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H9 K3 O12 -","- C18 H9 K3 O12 -","- C36 H18 K6 O24 -","2","0.5","","Kim, Min Kyung; Jo, Vinna; Lee, Dong Woo; Shim, Il-Wun; Ok, Kang Min","CAU-1 and CAU-2: New tubular alkali metal‒organic framework materials, A3[C6H3(CO2)(CO2H0.5)(CO2H)]2 (A = K or Rb)","CrystEngComm","2010","12","5","1481","","10.1039/b924218j","","","0.71073","MoKα","","0.1379","0.0685","","","0.1311","0.1953","","","","","","1.118","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212284","4.0727","0.0008","13.891","0.003","17.853","0.004","90","","93.81","0.03","90","","1007.8","0.4","298","0.2","298","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H9 O12 Rb3 -","- C18 H9 O12 Rb3.001 -","- C36 H18 O24 Rb6.002 -","2","0.5","","Kim, Min Kyung; Jo, Vinna; Lee, Dong Woo; Shim, Il-Wun; Ok, Kang Min","CAU-1 and CAU-2: New tubular alkali metal‒organic framework materials, A3[C6H3(CO2)(CO2H0.5)(CO2H)]2 (A = K or Rb)","CrystEngComm","2010","12","5","1481","","10.1039/b924218j","","","0.71073","MoKα","","0.16","0.1196","","","0.2811","0.3088","","","","","","1.065","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212285","9.3402","0.001","25.842","0.003","20.09","0.002","90","","101.431","0.001","90","","4752.9","0.9","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H36 N4 O14 Zn2 -","- C41 H36 N4 O14 Zn2 -","- C164 H144 N16 O56 Zn8 -","4","0.5","","Ren, Shi-Bin; Zhou, Le; Zhang, Jun; Zhu, You-Long; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng","A 4-connected 3D porous coordination polymer with a binodal 6284 net built on tetrahedral quadridentate and bidentate linkers","CrystEngComm","2010","12","5","1635","","10.1039/b924237f","","","0.71073","MoKα","","0.0544","0.0458","","","0.1059","0.108","","","","","","1.136","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212286","10.613","","11.272","","12.144","","73.51","","87.29","","70.39","","1310.38","","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C12 H49 Al Cu Mo6 N4 Na4 O51 -","- C12 H4 Al Cu Mo6 N4 Na4 O51 -","- C12 H4 Al Cu Mo6 N4 Na4 O51 -","1","0.5","","Li, Suzhi; Ma, Pengtao; Wang, Jingping; Guo, Yuanyuan; Niu, Haizhu; Zhao, Junwei; Niu, Jingyang","A 3D organic‒inorganic network constructed from an Anderson-type polyoxometalate anion, a copper complex and a tetrameric [Na4(H2O)14]4+ cluster,","CrystEngComm","2010","12","6","1718","","10.1039/b924394a","","","0.71073","MoKα","","0.0327","0.0297","","","0.0786","0.0806","","","","","","1.031","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212287","12.8141","0.0017","10.2601","0.0014","18.756","0.003","90","","102.832","0.002","90","","2404.3","0.6","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2,6-di-O-p-bromobenzoyl-myo-inositol 1,3,5-orthoformate chloroform solvate","2,6-di-O-p-bromobenzoyl-myo-inositol 1,3,5-orthoformate chloroform solvate","","- C22 H17 Br2 Cl3 O8 -","- C22 H17 Br2 Cl3 O8 -","- C88 H68 Br8 Cl12 O32 -","4","1","","Krishnaswamy, Shobhana; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Helical self-assembly of molecules in pseudopolymorphs of racemic 2,6-di-O-(4-halobenzoyl)-myo-inositol 1,3,5-orthoformates: clues for the construction of molecular assemblies for intermolecular acyl transfer reaction","CrystEngComm","2010","12","12","4184","","10.1039/b924482d","","","0.71073","MoKα","","0.0301","0.0268","","","0.0651","0.0664","","","","","","1.028","","","","has coordinates,has disorder","180453","2020-10-21","18:00:00",""
"7212288","12.8133","0.0015","10.2045","0.0012","18.814","0.002","90","","103.599","0.002","90","","2391","0.5","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,6-di-O-p-bromobenzoyl-myo-inositol 1,3,5-orthoformate acetone solvate","2,6-di-O-p-bromobenzoyl-myo-inositol 1,3,5-orthoformate acetone solvate","","- C24 H22 Br2 O9 -","- C24 H22 Br2 O9 -","- C96 H88 Br8 O36 -","4","1","","Krishnaswamy, Shobhana; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Helical self-assembly of molecules in pseudopolymorphs of racemic 2,6-di-O-(4-halobenzoyl)-myo-inositol 1,3,5-orthoformates: clues for the construction of molecular assemblies for intermolecular acyl transfer reaction","CrystEngComm","2010","12","12","4184","","10.1039/b924482d","","","0.71073","MoKα","","0.0422","0.034","","","0.0836","0.0879","","","","","","1.037","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212289","12.8524","0.0011","10.2018","0.0008","18.525","0.0015","90","","102.87","0.001","90","","2367.9","0.3","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2,6-di-O-p-bromobenzoyl-myo-inositol 1,3,5-orthoformate dichloromethane solvate","2,6-di-O-p-bromobenzoyl-myo-inositol 1,3,5-orthoformate dichloromethane solvate","","- C22 H18 Br2 Cl2 O8 -","- C22 H18 Br2 Cl2 O8 -","- C88 H72 Br8 Cl8 O32 -","4","1","","Krishnaswamy, Shobhana; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Helical self-assembly of molecules in pseudopolymorphs of racemic 2,6-di-O-(4-halobenzoyl)-myo-inositol 1,3,5-orthoformates: clues for the construction of molecular assemblies for intermolecular acyl transfer reaction","CrystEngComm","2010","12","12","4184","","10.1039/b924482d","","","0.71073","MoKα","","0.0385","0.034","","","0.0865","0.089","","","","","","1.05","","","","has coordinates,has disorder","180453","2020-10-21","18:00:00",""
"7212290","12.1747","0.0015","10.1533","0.0012","19.261","0.002","90","","103.231","0.002","90","","2317.7","0.5","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2,6-di-O-p-bromobenzoyl-myo-inositol 1,3,5-orthoformate nitromethane solvate","2,6-di-O-p-bromobenzoyl-myo-inositol 1,3,5-orthoformate nitromethane solvate","","- C22 H19 Br2 N O10 -","- C22 H19 Br2 N O10 -","- C88 H76 Br8 N4 O40 -","4","1","","Krishnaswamy, Shobhana; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Helical self-assembly of molecules in pseudopolymorphs of racemic 2,6-di-O-(4-halobenzoyl)-myo-inositol 1,3,5-orthoformates: clues for the construction of molecular assemblies for intermolecular acyl transfer reaction","CrystEngComm","2010","12","12","4184","","10.1039/b924482d","","","0.71073","MoKα","","0.0372","0.0327","","","0.0812","0.0839","","","","","","1.021","","","","has coordinates,has disorder","180453","2020-10-21","18:00:00",""
"7212291","13.181","0.004","10.046","0.003","18.813","0.005","90","","102.436","0.004","90","","2432.7","1.2","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,6-di-O-p-bromobenzoyl-myo-inositol 1,3,5-orthoformate tetrahydrofuran solvate","2,6-di-O-p-bromobenzoyl-myo-inositol 1,3,5-orthoformate tetrahydrofuran solvate","","- C25 H24 Br2 O9 -","- C25 H24 Br2 O9 -","- C100 H96 Br8 O36 -","4","1","","Krishnaswamy, Shobhana; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Helical self-assembly of molecules in pseudopolymorphs of racemic 2,6-di-O-(4-halobenzoyl)-myo-inositol 1,3,5-orthoformates: clues for the construction of molecular assemblies for intermolecular acyl transfer reaction","CrystEngComm","2010","12","12","4184","","10.1039/b924482d","","","0.71073","MoKα","","0.0751","0.069","","","0.1833","0.1914","","","","","","1.082","","","","has coordinates,has disorder","180453","2020-10-21","18:00:00",""
"7212292","13.1856","0.0016","10.2483","0.0013","18.966","0.002","90","","104.704","0.002","90","","2478.9","0.5","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,6-di-O-p-bromobenzoyl-myo-inositol 1,3,5-orthoformate dioxane solvate","2,6-di-O-p-bromobenzoyl-myo-inositol 1,3,5-orthoformate dioxane solvate","","- C25 H24 Br2 O10 -","- C25 H24 Br2 O10 -","- C100 H96 Br8 O40 -","4","1","","Krishnaswamy, Shobhana; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Helical self-assembly of molecules in pseudopolymorphs of racemic 2,6-di-O-(4-halobenzoyl)-myo-inositol 1,3,5-orthoformates: clues for the construction of molecular assemblies for intermolecular acyl transfer reaction","CrystEngComm","2010","12","12","4184","","10.1039/b924482d","","","0.71073","MoKα","","0.0482","0.0363","","","0.0855","0.0912","","","","","","1.023","","","","has coordinates,has disorder","180453","2020-10-21","18:00:00",""
"7212293","13.0322","0.0015","10.2499","0.0011","18.415","0.002","90","","103.579","0.002","90","","2391.1","0.5","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2,6-di-O-p-bromobenzoyl-myo-inositol 1,3,5-orthoformate dimethyl sulphoxide solvate","2,6-di-O-p-bromobenzoyl-myo-inositol 1,3,5-orthoformate dimethyl sulphoxide solvate","","- C23 H22 Br2 O9 S -","- C23 H22 Br2 O9 S -","- C92 H88 Br8 O36 S4 -","4","1","","Krishnaswamy, Shobhana; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Helical self-assembly of molecules in pseudopolymorphs of racemic 2,6-di-O-(4-halobenzoyl)-myo-inositol 1,3,5-orthoformates: clues for the construction of molecular assemblies for intermolecular acyl transfer reaction","CrystEngComm","2010","12","12","4184","","10.1039/b924482d","","","0.71073","MoKα","","0.0528","0.0457","","","0.0946","0.0976","","","","","","1.164","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212294","12.1687","0.0008","10.0099","0.0007","20.3518","0.0014","90","","92.677","0.001","90","","2476.3","0.3","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2,6-di-O-p-bromobenzoyl-myo-inositol 1,3,5-orthoformate 1,2- dichloroethane solvate","2,6-di-O-p-bromobenzoyl-myo-inositol 1,3,5-orthoformate 1,2-dichloroethane solvate","","- C23 H20 Br2 Cl2 O8 -","- C23 H20 Br2 Cl2 O8 -","- C92 H80 Br8 Cl8 O32 -","4","1","","Krishnaswamy, Shobhana; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Helical self-assembly of molecules in pseudopolymorphs of racemic 2,6-di-O-(4-halobenzoyl)-myo-inositol 1,3,5-orthoformates: clues for the construction of molecular assemblies for intermolecular acyl transfer reaction","CrystEngComm","2010","12","12","4184","","10.1039/b924482d","","","0.71073","MoKα","","0.0476","0.0406","","","0.1063","0.1107","","","","","","1.065","","","","has coordinates,has disorder","180453","2020-10-21","18:00:00",""
"7212295","12.9486","0.0009","10.2705","0.0007","18.0529","0.0012","90","","101.398","0.001","90","","2353.5","0.3","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,6-di-O-p-chlorobenzoyl-myo-inositol 1,3,5-orthoformate chloroform solvate","2,6-di-O-p-chlorobenzoyl-myo-inositol 1,3,5-orthoformate chloroform solvate","","- C22 H17 Cl5 O8 -","- C22 H17 Cl5 O8 -","- C88 H68 Cl20 O32 -","4","1","","Krishnaswamy, Shobhana; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Helical self-assembly of molecules in pseudopolymorphs of racemic 2,6-di-O-(4-halobenzoyl)-myo-inositol 1,3,5-orthoformates: clues for the construction of molecular assemblies for intermolecular acyl transfer reaction","CrystEngComm","2010","12","12","4184","","10.1039/b924482d","","","0.71073","MoKα","","0.0413","0.0386","","","0.0884","0.0901","","","","","","1.087","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212296","12.751","0.002","10.221","0.0018","18.52","0.003","90","","103.209","0.003","90","","2349.8","0.7","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,6-di-O-p-chlorobenzoyl-myo-inositol 1,3,5-orthoformate acetone solvate","2,6-di-O-p-chlorobenzoyl-myo-inositol 1,3,5-orthoformate acetone solvate","","- C24 H22 Cl2 O9 -","- C24 H22 Cl2 O9 -","- C96 H88 Cl8 O36 -","4","1","","Krishnaswamy, Shobhana; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Helical self-assembly of molecules in pseudopolymorphs of racemic 2,6-di-O-(4-halobenzoyl)-myo-inositol 1,3,5-orthoformates: clues for the construction of molecular assemblies for intermolecular acyl transfer reaction","CrystEngComm","2010","12","12","4184","","10.1039/b924482d","","","0.71073","MoKα","","0.044","0.0402","","","0.0976","0.1003","","","","","","1.079","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212297","12.8921","0.0011","10.1356","0.0009","18.0788","0.0016","90","","101.584","0.001","90","","2314.2","0.4","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,6-di-O-p-chlorobenzoyl-myo-inositol 1,3,5-orthoformate dichloromethane solvate","2,6-di-O-p-chlorobenzoyl-myo-inositol 1,3,5-orthoformate dichloromethane solvate","","- C22 H18 Cl4 O8 -","- C22 H18 Cl4 O8 -","- C88 H72 Cl16 O32 -","4","1","","Krishnaswamy, Shobhana; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Helical self-assembly of molecules in pseudopolymorphs of racemic 2,6-di-O-(4-halobenzoyl)-myo-inositol 1,3,5-orthoformates: clues for the construction of molecular assemblies for intermolecular acyl transfer reaction","CrystEngComm","2010","12","12","4184","","10.1039/b924482d","","","0.71073","MoKα","","0.046","0.0433","","","0.1057","0.1076","","","","","","1.03","","","","has coordinates,has disorder","180453","2020-10-21","18:00:00",""
"7212298","12.6835","0.0007","10.0712","0.0005","18.298","0.001","90","","103.1","0.001","90","","2276.5","0.2","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2,6-di-O-p-chlorobenzoyl-myo-inositol 1,3,5-orthoformate nitromethane solvate","2,6-di-O-p-chlorobenzoyl-myo-inositol 1,3,5-orthoformate nitromethane solvate","","- C22 H19 Cl2 N O10 -","- C22 H19 Cl2 N O10 -","- C88 H76 Cl8 N4 O40 -","4","1","","Krishnaswamy, Shobhana; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Helical self-assembly of molecules in pseudopolymorphs of racemic 2,6-di-O-(4-halobenzoyl)-myo-inositol 1,3,5-orthoformates: clues for the construction of molecular assemblies for intermolecular acyl transfer reaction","CrystEngComm","2010","12","12","4184","","10.1039/b924482d","","","0.71073","MoKα","","0.0318","0.0303","","","0.0798","0.0811","","","","","","1.048","","","","has coordinates,has disorder","180453","2020-10-21","18:00:00",""
"7212299","12.908","0.003","10.135","0.002","18.299","0.004","90","","101.682","0.004","90","","2344.3","0.9","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,6-di-O-p-chlorobenzoyl-myo-inositol 1,3,5-orthoformate tetrahydrofuran solvate","2,6-di-O-p-chlorobenzoyl-myo-inositol 1,3,5-orthoformate tetrahydrofuran solvate","","- C25 H24 Cl2 O9 -","- C25 H24 Cl2 O9 -","- C100 H96 Cl8 O36 -","4","1","","Krishnaswamy, Shobhana; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Helical self-assembly of molecules in pseudopolymorphs of racemic 2,6-di-O-(4-halobenzoyl)-myo-inositol 1,3,5-orthoformates: clues for the construction of molecular assemblies for intermolecular acyl transfer reaction","CrystEngComm","2010","12","12","4184","","10.1039/b924482d","","","0.71073","MoKα","","0.077","0.0605","","","0.124","0.1313","","","","","","1.103","","","","has coordinates,has disorder","180453","2020-10-21","18:00:00",""
"7212300","13.047","0.003","10.141","0.003","18.678","0.005","90","","103.518","0.004","90","","2402.8","1.1","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,6-di-O-p-chlorobenzoyl-myo-inositol 1,3,5-orthoformate dioxane solvate","2,6-di-O-p-chlorobenzoyl-myo-inositol 1,3,5-orthoformate dioxane solvate","","- C25 H24 Cl2 O10 -","- C25 H24 Cl2 O10 -","- C100 H96 Cl8 O40 -","4","1","","Krishnaswamy, Shobhana; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Helical self-assembly of molecules in pseudopolymorphs of racemic 2,6-di-O-(4-halobenzoyl)-myo-inositol 1,3,5-orthoformates: clues for the construction of molecular assemblies for intermolecular acyl transfer reaction","CrystEngComm","2010","12","12","4184","","10.1039/b924482d","","","0.71073","MoKα","","0.0674","0.054","","","0.1203","0.1276","","","","","","1.055","","","","has coordinates,has disorder","180454","2020-10-21","18:00:00",""
"7212301","12.9731","0.0013","10.2342","0.0011","18.0469","0.0019","90","","102.585","0.002","90","","2338.5","0.4","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2,6-di-O-p-chlorobenzoyl-myo-inositol 1,3,5-orthoformate dimethyl sulphoxide solvate","2,6-di-O-p-chlorobenzoyl-myo-inositol 1,3,5-orthoformate dimethyl sulphoxide solvate","","- C23 H22 Cl2 O9 S -","- C23 H22 Cl2 O9 S -","- C92 H88 Cl8 O36 S4 -","4","1","","Krishnaswamy, Shobhana; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Helical self-assembly of molecules in pseudopolymorphs of racemic 2,6-di-O-(4-halobenzoyl)-myo-inositol 1,3,5-orthoformates: clues for the construction of molecular assemblies for intermolecular acyl transfer reaction","CrystEngComm","2010","12","12","4184","","10.1039/b924482d","","","0.71073","MoKα","","0.0565","0.0509","","","0.1139","0.1169","","","","","","1.148","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212302","12.093","0.002","9.9108","0.0017","20.26","0.003","90","","92.433","0.003","90","","2426","0.7","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,6-di-O-p-chlorobenzoyl-myo-inositol 1,3,5-orthoformate 1,2- dichloroethane solvate","2,6-di-O-p-chlorobenzoyl-myo-inositol 1,3,5-orthoformate 1,2-dichloroethane solvate","","- C23 H20 Cl4 O8 -","- C23 H20 Cl4 O8 -","- C92 H80 Cl16 O32 -","4","1","","Krishnaswamy, Shobhana; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Helical self-assembly of molecules in pseudopolymorphs of racemic 2,6-di-O-(4-halobenzoyl)-myo-inositol 1,3,5-orthoformates: clues for the construction of molecular assemblies for intermolecular acyl transfer reaction","CrystEngComm","2010","12","12","4184","","10.1039/b924482d","","","0.71073","MoKα","","0.093","0.0716","","","0.1553","0.1685","","","","","","1.034","","","","has coordinates,has disorder","180454","2020-10-21","18:00:00",""
"7212303","12.074","0.01","9.861","0.008","20.003","0.016","90","","94.894","0.013","90","","2373","3","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2,6-di-O-p-chlorobenzoyl-myo-inositol 1,3,5-orthoformate acetonitrile solvate","2,6-di-O-p-chlorobenzoyl-myo-inositol 1,3,5-orthoformate acetonitrile solvate","","- C23 H19 Cl2 N O8 -","- C23 H19 Cl2 N O8 -","- C92 H76 Cl8 N4 O32 -","4","1","","Krishnaswamy, Shobhana; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Helical self-assembly of molecules in pseudopolymorphs of racemic 2,6-di-O-(4-halobenzoyl)-myo-inositol 1,3,5-orthoformates: clues for the construction of molecular assemblies for intermolecular acyl transfer reaction","CrystEngComm","2010","12","12","4184","","10.1039/b924482d","","","0.71073","MoKα","","0.0575","0.0496","","","0.1236","0.1298","","","","","","1.067","","","","has coordinates,has disorder","180454","2020-10-21","18:00:00",""
"7212304","11.6917","0.0018","9.6018","0.0015","21.103","0.003","90","","94.329","0.003","90","","2362.3","0.6","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,6-di-O-p-chlorobenzoyl-myo-inositol 1,3,5-orthoformate p- xylene solvate","2,6-di-O-p-chlorobenzoyl-myo-inositol 1,3,5-orthoformate p-xylene solvate","","- C25 H21 Cl2 O8 -","- C25 H21 Cl2 O8 -","- C100 H84 Cl8 O32 -","4","1","","Krishnaswamy, Shobhana; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Helical self-assembly of molecules in pseudopolymorphs of racemic 2,6-di-O-(4-halobenzoyl)-myo-inositol 1,3,5-orthoformates: clues for the construction of molecular assemblies for intermolecular acyl transfer reaction","CrystEngComm","2010","12","12","4184","","10.1039/b924482d","","","0.71073","MoKα","","0.0434","0.0357","","","0.0818","0.0862","","","","","","1.046","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212305","32.22","0.03","9.584","0.008","21.386","0.019","90","","129.72","0.03","90","","5080","8","133","2","133","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","2,6-di-O-p-chlorobenzoyl-myo-inositol 1,3,5-orthoformate benzene solvate","2,6-di-O-p-chlorobenzoyl-myo-inositol 1,3,5-orthoformate benzene solvate","","- C27 H22 Cl2 O8 -","- C27 H22 Cl2 O8 -","- C216 H176 Cl16 O64 -","8","1","","Krishnaswamy, Shobhana; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Helical self-assembly of molecules in pseudopolymorphs of racemic 2,6-di-O-(4-halobenzoyl)-myo-inositol 1,3,5-orthoformates: clues for the construction of molecular assemblies for intermolecular acyl transfer reaction","CrystEngComm","2010","12","12","4184","","10.1039/b924482d","","","0.71073","MoKα","","0.179","0.1154","","","0.2338","0.2626","","","","","","1.115","","","","has coordinates,has disorder","180454","2020-10-21","18:00:00",""
"7212306","12.962","0.002","10.1406","0.0017","18.391","0.003","90","","102.627","0.003","90","","2358.9","0.7","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,6-di-O-p-chlorobenzoyl-myo-inositol 1,3,5-orthoformate dichloromethane solvate","2,6-di-O-p-chlorobenzoyl-myo-inositol 1,3,5-orthoformate dichloromethane solvate","","- C21.06 H16.12 Cl2.12 O8 -","- C21.06 H16.12 Cl2.12 O8 -","- C84.24 H64.48 Cl8.48 O32 -","4","1","","Krishnaswamy, Shobhana; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Helical self-assembly of molecules in pseudopolymorphs of racemic 2,6-di-O-(4-halobenzoyl)-myo-inositol 1,3,5-orthoformates: clues for the construction of molecular assemblies for intermolecular acyl transfer reaction","CrystEngComm","2010","12","12","4184","","10.1039/b924482d","","","0.71073","MoKα","","0.0789","0.0551","","","0.141","0.1586","","","","","","1.034","","","","has coordinates,has disorder","180454","2020-10-21","18:00:00",""
"7212307","9.7496","0.001","10.3079","0.0005","11.9451","0.0006","114.92","0.002","110.933","0.004","91.374","0.003","995.02","0.13","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C36 H43 Fe N12 O8 -","- C36 H43 Fe N12 O8 -","- C36 H43 Fe N12 O8 -","1","1","","Hazra, Arpan; Kanoo, Prakash; Mohapatra, Sudip; Mostafa, Golam; Maji, Tapas Kumar","A flexible supramolecular host with a crowned chair octameric water cluster and highly selective adsorption properties","CrystEngComm","2010","12","10","2775","","10.1039/b924511a","","","0.71073","MoKα","","0.0708","0.0493","","","0.0935","0.1028","","","","","","1.015","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212308","6.7906","0.0012","7.3159","0.0004","15.8428","0.0014","86.297","0.006","78.924","0.011","72.713","0.006","737.49","0.16","293","","293","","","","","","","","The compound was used as received from Sigma-Aldrich","4","P -1","-P 1","2","","","","- C9 H31 N O9 -","- C9 H31 N O9 -","- C18 H62 N2 O18 -","2","1","","Fabbiani, Francesca P. A.; Levendis, Demetrius C.; Buth, Gernot; Kuhs, Werner F.; Shankland, Norman; Sowa, Heidrun","Searching for novel crystal forms by in situ high-pressure crystallisation: the example of gabapentin heptahydrate","CrystEngComm","2010","12","8","2354","","10.1039/b924573a","","","0.72","synchrotron","","0.0528","0.0451","","0.131","0.1268","0.131","","","","","","0.9522","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212309","20.007","0.003","20.007","0.003","28.168","0.006","90","","90","","90","","11275","3","223","2","223","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C130 H93 N9 O25 Zn6 -","- C130 H93 N9 O25 Zn6 -","- C520 H372 N36 O100 Zn24 -","4","0.5","","Liu, Dong; Ren, Zhi-Gang; Li, Hong-Xi; Chen, Yang; Wang, Jing; Zhang, Yong; Lang, Jian-Ping","pH-dependent solvothermal formation of two different 3D multiple interpenetrating nets from the same components of Zn(NO3)2, 1,3-benzenedicarboxylate and 1,4-bis[2-(4-pyridyl)ethenyl]benzene","CrystEngComm","2010","12","6","1912","","10.1039/b924647a","","","0.71073","MoKα","","0.1165","0.0987","","","0.2316","0.2428","","","","","","1.176","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212310","15.678","0.003","13.571","0.003","15.234","0.003","90","","109.27","0.03","90","","3059.7","1.2","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C144 H100 N8 O34 Zn8 -","- C144 H100 N8 O34 Zn8 -","- C144 H100 N8 O34 Zn8 -","1","0.125","","Liu, Dong; Ren, Zhi-Gang; Li, Hong-Xi; Chen, Yang; Wang, Jing; Zhang, Yong; Lang, Jian-Ping","pH-dependent solvothermal formation of two different 3D multiple interpenetrating nets from the same components of Zn(NO3)2, 1,3-benzenedicarboxylate and 1,4-bis[2-(4-pyridyl)ethenyl]benzene","CrystEngComm","2010","12","6","1912","","10.1039/b924647a","","","0.71073","MoKα","","0.0417","0.034","","","0.0791","0.0836","","","","","","0.985","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212311","9.338","0.0013","6.393","0.0005","13.162","0.0018","90","","108.753","0.011","90","","744.03","0.16","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 N2 O S -","- C6 H8 N2 O S -","- C24 H32 N8 O4 S4 -","4","1","","Jha, Sushil; Silversides, Jon D.; Boyle, Ross W.; Archibald, Stephen J.","Hydrogen bonded dimers vs. one-dimensional chains in 2-thiooxoimidazolidin-4-one (thiohydantoin) drug derivatives","CrystEngComm","2010","12","6","1730","","10.1039/b924683e","","","0.71073","MoKα","","0.0667","0.0383","","","0.0938","0.1024","","","","","","0.957","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212312","5.0267","0.0009","11.2601","0.0012","22.199","0.004","90","","94.545","0.014","90","","1252.5","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 N2 O S -","- C13 H16 N2 O S -","- C52 H64 N8 O4 S4 -","4","1","","Jha, Sushil; Silversides, Jon D.; Boyle, Ross W.; Archibald, Stephen J.","Hydrogen bonded dimers vs. one-dimensional chains in 2-thiooxoimidazolidin-4-one (thiohydantoin) drug derivatives","CrystEngComm","2010","12","6","1730","","10.1039/b924683e","","","0.71073","MoKα","","0.1815","0.0491","","","0.1013","0.1398","","","","","","0.853","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212313","12.377","0.004","5.69","0.0012","12.515","0.004","90","","91.27","0.03","90","","881.2","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 N2 O S -","- C9 H8 N2 O S -","- C36 H32 N8 O4 S4 -","4","1","","Jha, Sushil; Silversides, Jon D.; Boyle, Ross W.; Archibald, Stephen J.","Hydrogen bonded dimers vs. one-dimensional chains in 2-thiooxoimidazolidin-4-one (thiohydantoin) drug derivatives","CrystEngComm","2010","12","6","1730","","10.1039/b924683e","","","0.71073","MoKα","","0.2063","0.1199","","","0.3058","0.4126","","","","","","1.176","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212314","28.38","0.006","5.0073","0.0006","20.811","0.004","90","","106.952","0.016","90","","2828.9","0.9","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 N2 O S -","- C16 H14 N2 O S -","- C128 H112 N16 O8 S8 -","8","1","","Jha, Sushil; Silversides, Jon D.; Boyle, Ross W.; Archibald, Stephen J.","Hydrogen bonded dimers vs. one-dimensional chains in 2-thiooxoimidazolidin-4-one (thiohydantoin) drug derivatives","CrystEngComm","2010","12","6","1730","","10.1039/b924683e","","","0.71073","MoKα","","0.1901","0.1072","","","0.308","0.3591","","","","","","1.034","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212315","9.5863","0.0011","9.2632","0.0007","11.9253","0.0012","90","","95.96","0.009","90","","1053.24","0.18","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H14 N2 O S -","- C9 H14 N2 O S -","- C36 H56 N8 O4 S4 -","4","1","","Jha, Sushil; Silversides, Jon D.; Boyle, Ross W.; Archibald, Stephen J.","Hydrogen bonded dimers vs. one-dimensional chains in 2-thiooxoimidazolidin-4-one (thiohydantoin) drug derivatives","CrystEngComm","2010","12","6","1730","","10.1039/b924683e","","","0.71073","MoKα","","0.0675","0.0501","","","0.1373","0.1487","","","","","","1.129","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212316","21.947","0.0019","8.5282","0.0008","11.4242","0.0009","90","","115.115","0.006","90","","1936.1","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 N2 O S -","- C10 H10 N2 O S -","- C80 H80 N16 O8 S8 -","8","1","","Jha, Sushil; Silversides, Jon D.; Boyle, Ross W.; Archibald, Stephen J.","Hydrogen bonded dimers vs. one-dimensional chains in 2-thiooxoimidazolidin-4-one (thiohydantoin) drug derivatives","CrystEngComm","2010","12","6","1730","","10.1039/b924683e","","","0.71073","MoKα","","0.0493","0.0411","","","0.1249","0.1298","","","","","","1.383","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212317","9.0344","0.0011","17.331","0.003","9.5981","0.0011","90","","101.028","0.01","90","","1475.1","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 N2 O S -","- C17 H16 N2 O S -","- C68 H64 N8 O4 S4 -","4","1","","Jha, Sushil; Silversides, Jon D.; Boyle, Ross W.; Archibald, Stephen J.","Hydrogen bonded dimers vs. one-dimensional chains in 2-thiooxoimidazolidin-4-one (thiohydantoin) drug derivatives","CrystEngComm","2010","12","6","1730","","10.1039/b924683e","","","0.71073","MoKα","","0.1185","0.0733","","","0.1926","0.2366","","","","","","1.043","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212318","20.575","0.002","5.5363","0.0005","18.7917","0.0019","90","","91.676","0.002","90","","2139.6","0.4","120","2","120","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C28 H23 N O3 S -","- C28 H23 N O3 S -","- C112 H92 N4 O12 S4 -","4","1","","Imai, Yoshitane; Murata, Katuzo; Nakano, Yoko; Harada, Takunori; Kinuta, Takafumi; Tajima, Nobuo; Sato, Tomohiro; Fujiki, Michiya; Kuroda, Reiko; Matsubara, Yoshio","Control of solid-state chiral optical properties of a chiral supramolecular organic fluorophore consisting of 1-pyrenesulfonic acid and chiral amine molecules","CrystEngComm","2010","12","6","1688","","10.1039/b924760m","","","0.71073","MoKα","","0.0596","0.049","","","0.1025","0.1078","","","","","","1.023","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212319","13.079","0.005","14.156","0.004","14.444","0.004","107.729","0.005","98.846","0.004","116.684","0.006","2139.2","1.2","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C33 H68 Cl3 N5 O13 -","- C33 H48 Cl3 N5 O13 -","- C66 H96 Cl6 N10 O26 -","2","1","","Das, Madhab C.; Ghosh, Sujit K.; Sen, Susan; Bharadwaj, Parimal K.","Binding of various anions in laterally non-symmetric aza-oxa cryptands through H-bonds: characterization of water clusters of different nuclearity","CrystEngComm","2010","12","10","2967","","10.1039/b924869m","","","0.71069","MoKα","","0.1004","0.0747","","","0.1607","0.2286","","","","","","1.154","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212320","15.007","0.005","14.443","0.003","21.342","0.006","90","","95.48","0.005","90","","4605","2","100","1","100","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H57 Cl4 N5 O23 S0 -","- C33 H49 Cl4 N5 O23 -","- C132 H196 Cl16 N20 O92 -","4","2","","Das, Madhab C.; Ghosh, Sujit K.; Sen, Susan; Bharadwaj, Parimal K.","Binding of various anions in laterally non-symmetric aza-oxa cryptands through H-bonds: characterization of water clusters of different nuclearity","CrystEngComm","2010","12","10","2967","","10.1039/b924869m","","","0.71069","MoKα","","0.1006","0.0711","","","0.1806","0.2326","","","","","","1.088","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212321","13.327","0.005","12.267","0.003","28.121","0.006","90","","103.374","0.006","90","","4473","2","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H57 Cl4 N5 O23 -","- C33 H57 Cl4 N5 O23 -","- C132 H228 Cl16 N20 O92 -","4","1","","Das, Madhab C.; Ghosh, Sujit K.; Sen, Susan; Bharadwaj, Parimal K.","Binding of various anions in laterally non-symmetric aza-oxa cryptands through H-bonds: characterization of water clusters of different nuclearity","CrystEngComm","2010","12","10","2967","","10.1039/b924869m","","","0.71069","MoKα","","0.0958","0.0607","","","0.1585","0.1972","","","","","","1.083","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212322","9.465","0.004","26.756","0.006","16.27","0.005","90","","93.333","0.006","90","","4113","2","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H61 Cl2 N5 O13 S -","- C33 H61 Cl2 N5 O13 S -","- C132 H244 Cl8 N20 O52 S4 -","4","1","","Das, Madhab C.; Ghosh, Sujit K.; Sen, Susan; Bharadwaj, Parimal K.","Binding of various anions in laterally non-symmetric aza-oxa cryptands through H-bonds: characterization of water clusters of different nuclearity","CrystEngComm","2010","12","10","2967","","10.1039/b924869m","","","0.71069","MoKα","","0.0945","0.0526","","","0.1522","0.2054","","","","","","1.115","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212323","9.389","0.002","24.772","0.004","16.532","0.003","90","","97.961","0.004","90","","3808","1.2","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H51 Cl N8 O13 -","- C33 H49 Cl N8 O13 -","- C132 H196 Cl4 N32 O52 -","4","1","","Das, Madhab C.; Ghosh, Sujit K.; Sen, Susan; Bharadwaj, Parimal K.","Binding of various anions in laterally non-symmetric aza-oxa cryptands through H-bonds: characterization of water clusters of different nuclearity","CrystEngComm","2010","12","10","2967","","10.1039/b924869m","","","0.71069","MoKα","","0.1006","0.0754","","","0.1757","0.2233","","","","","","1.112","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212324","9.733","0.002","24.969","0.004","16.288","0.003","90","","96.989","0.006","90","","3929","1.3","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H51 Br N8 O13 -","- C33 H49 Br N8 O13 -","- C132 H196 Br4 N32 O52 -","4","1","","Das, Madhab C.; Ghosh, Sujit K.; Sen, Susan; Bharadwaj, Parimal K.","Binding of various anions in laterally non-symmetric aza-oxa cryptands through H-bonds: characterization of water clusters of different nuclearity","CrystEngComm","2010","12","10","2967","","10.1039/b924869m","","","0.71069","MoKα","","0.1093","0.0714","","","0.1835","0.2329","","","","","","1.073","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212325","8.529","0.0009","8.6076","0.0005","10.7849","0.0011","72.602","0.006","75.267","0.005","79.158","0.006","725.29","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H34 N4 O18 U2 -","- C20 H34 N4 O18 U2 -","- C20 H34 N4 O18 U2 -","1","0.5","","Thuéry, Pierre","Uranyl‒organic assemblies with the macrocyclic ligand 1,4,8,11-tetraazacyclotetradecane-1,4,8,11-tetraacetate (TETA)","CrystEngComm","2010","12","6","1905","","10.1039/b924966d","","","0.71073","MoKα","","0.0363","0.0294","","","0.0703","0.0725","","","","","","1.028","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212326","20.3512","0.0013","12.8168","0.0006","10.9421","0.0006","90","","103.303","0.004","90","","2777.5","0.3","150","2","150","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C18 H34 Cl N5 O14 U -","- C18 H34 Cl N5 O14 U -","- C72 H136 Cl4 N20 O56 U4 -","4","0.5","","Thuéry, Pierre","Uranyl‒organic assemblies with the macrocyclic ligand 1,4,8,11-tetraazacyclotetradecane-1,4,8,11-tetraacetate (TETA)","CrystEngComm","2010","12","6","1905","","10.1039/b924966d","","","0.71073","MoKα","","0.0412","0.0326","","","0.0717","0.0738","","","","","","1.048","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212327","21.3207","0.0011","16.657","0.0009","10.1919","0.0004","90","","97.853","0.003","90","","3585.6","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H44 N4 O17 U -","- C18 H32 N4 O17 U -","- C72 H128 N16 O68 U4 -","4","0.5","","Thuéry, Pierre","Uranyl‒organic assemblies with the macrocyclic ligand 1,4,8,11-tetraazacyclotetradecane-1,4,8,11-tetraacetate (TETA)","CrystEngComm","2010","12","6","1905","","10.1039/b924966d","","","0.71073","MoKα","","0.0481","0.0391","","","0.1032","0.1062","","","","","","1.081","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212328","6.699","0.0003","6.842","0.0002","16.354","0.001","90","","96.514","0.003","90","","744.74","0.06","293","2","293","2","","","","","","","synthesized by the authors","5","C 1 c 1","C -2yc","9","guanylurea hydrogen phosphite","","","- C2 H9 N4 O4 P -","- C2 H9 N4 O4 P -","- C8 H36 N16 O16 P4 -","4","1","","Fridrichová, Michaela; Němec, Ivan; Císařová, Ivana; Němec, Petr","Guanylurea(1+) hydrogen phosphite: a novel promising phase-matchable material for second harmonic generation","CrystEngComm","2010","12","7","2054","","10.1039/b924973g","","","0.71073","MoKα","","0.0301","0.0276","","","0.066","0.0679","","","","","","1.091","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212333","3.703","0.004","14.572","0.017","10.573","0.013","90","","96.34","0.019","90","","567","1.1","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","1.2.3.5-Tetrafluorobenzene","1.2.3.5-Tetrafluorobenzene","","- C6 H2 F4 -","- C6 H2 F4 -","- C24 H8 F16 -","4","1","","Thakur, Tejender S.; Kirchner, Michael T.; Bläser, Dieter; Boese, Roland; Desiraju, Gautam R.","C‒H⋯F‒C hydrogen bonding in 1,2,3,5-tetrafluorobenzene and other fluoroaromatic compounds and the crystal structure of alloxan revisited","CrystEngComm","2010","12","7","2079","","10.1039/b925082d","","","0.71073","MoKα","","0.1133","0.0671","","","0.1502","0.1767","","","","","","0.976","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212334","15.057","0.004","9.896","0.002","16.909","0.004","90","","105.425","0.003","90","","2428.8","1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H28 Co N4 O4 -","- C26 H28 Co N4 O4 -","- C104 H112 Co4 N16 O16 -","4","1","","Blake, Karyn M.; Johnston, Lindsey L.; Nettleman, Joseph H.; Supkowski, Ronald M.; LaDuca, Robert L.","Cobalt phenylenediacetate coordination polymers containing long-spanning dipyridyl ligands: rectangular grid, primitive cubic, and 5-connected Archimedean layered net topologies","CrystEngComm","2010","12","6","1927","","10.1039/b925239h","","","0.71073","MoKα","","0.06","0.0391","","","0.0834","0.0914","","","","","","1.022","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212335","5.6877","0.001","10.5913","0.0018","12.901","0.002","87.32","0.003","79.649","0.003","81.61","0.003","756.2","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H32 Co N4 O8 -","- C26 H28 Co N4 O8 -","- C26 H28 Co N4 O8 -","1","0.5","","Blake, Karyn M.; Johnston, Lindsey L.; Nettleman, Joseph H.; Supkowski, Ronald M.; LaDuca, Robert L.","Cobalt phenylenediacetate coordination polymers containing long-spanning dipyridyl ligands: rectangular grid, primitive cubic, and 5-connected Archimedean layered net topologies","CrystEngComm","2010","12","6","1927","","10.1039/b925239h","","","0.71073","MoKα","","0.0611","0.0563","","","0.1817","0.1863","","","","","","1.093","","","","has coordinates,has disorder","180454","2020-10-21","18:00:00",""
"7212336","33.323","0.002","9.3186","0.0006","37.814","0.003","90","","106.85","0.001","90","","11238","1.3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H75 Cl Co N8 O21 -","- C42 H49 Cl Co N8 O9.5 -","- C336 H392 Cl8 Co8 N64 O76 -","8","1","","Blake, Karyn M.; Johnston, Lindsey L.; Nettleman, Joseph H.; Supkowski, Ronald M.; LaDuca, Robert L.","Cobalt phenylenediacetate coordination polymers containing long-spanning dipyridyl ligands: rectangular grid, primitive cubic, and 5-connected Archimedean layered net topologies","CrystEngComm","2010","12","6","1927","","10.1039/b925239h","","","0.71073","MoKα","","0.1321","0.1038","","","0.2909","0.3048","","","","","","1.1","","","","has coordinates,has disorder","180454","2020-10-21","18:00:00",""
"7212340","5.8478","0.0003","9.108","0.0005","11.0349","0.0006","91.713","0.003","93.054","0.003","97.672","0.003","581.24","0.05","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C12 H16 I3 K Mn O15 -","- C12 H16 I3 K Mn O15 -","- C12 H16 I3 K Mn O15 -","1","1","","Lv, Yao-Kang; Zhan, Cai-Hong; Feng, Yun-Long","A chiral manganese‒potassium heterometallic MOF with an unusual (3,7)-connected network","CrystEngComm","2010","12","10","3052","","10.1039/b925546j","","","0.71073","MoKα","","0.151","0.0278","","","0.0419","0.0684","","","","","","1.02","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212341","13.3581","0.0019","18.44","0.003","7.0797","0.001","90","","90.043","0.002","90","","1743.9","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 Cu N3 O8 S -","- C15 H17 Cu N3 O8 S -","- C60 H68 Cu4 N12 O32 S4 -","4","1","","Wang, Yu; Cui, Shuxin; Wang, Lei; Zhang, Xiaoying; Li, Bo; Zhang, Jingping","Encapsulated different forms of water molecules by Cu(ii) complexes with diverse structures","CrystEngComm","2010","12","10","2734","","10.1039/b925615f","","","0.71073","MoKα","","0.0476","0.0382","","","0.0964","0.1006","","","","","","1.04","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212342","15.369","0.005","10.394","0.005","14.085","0.005","90","0.005","111.914","0.005","90","0.005","2087.4","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 Cu N3 O6 -","- C23 H17 Cu N3 O6 -","- C92 H68 Cu4 N12 O24 -","4","1","","Wang, Yu; Cui, Shuxin; Wang, Lei; Zhang, Xiaoying; Li, Bo; Zhang, Jingping","Encapsulated different forms of water molecules by Cu(ii) complexes with diverse structures","CrystEngComm","2010","12","10","2734","","10.1039/b925615f","","","0.71069","MoKα","","0.0723","0.0433","","","0.095","0.1063","","","","","","0.989","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212343","10.62","0.005","13.189","0.005","16.688","0.005","71.418","0.005","78.686","0.005","83.537","0.005","2169.4","1.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H50 Cu2 N6 O19 -","- C38 H50 Cu2 N6 O19 -","- C76 H100 Cu4 N12 O38 -","2","1","","Wang, Yu; Cui, Shuxin; Wang, Lei; Zhang, Xiaoying; Li, Bo; Zhang, Jingping","Encapsulated different forms of water molecules by Cu(ii) complexes with diverse structures","CrystEngComm","2010","12","10","2734","","10.1039/b925615f","","","0.71069","MoKα","","0.0643","0.0498","","","0.1232","0.1332","","","","","","1.015","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212344","5.905","0.002","7.947","0.004","16.797","0.009","90","","97.611","0.015","90","","781.3","0.6","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","3-Ethoxycarbonyl-2-phenyl-1,5-dihydro-4,1-benzothiazepine","3-Ethoxycarbonyl-2-phenyl-1,5-dihydro-4,1-benzothiazepine","","- C18 H17 N O2 S -","- C18 H17 N O2 S -","- C36 H34 N2 O4 S2 -","2","1","","Holczbauer, Tamás; Fábián, László; Csomós, Péter; Fodor, Lajos; Kálmán, Alajos","Annular desmotropy of three pairs of seven-membered heterocycles confirmed by X-ray crystallography","CrystEngComm","2010","12","6","1712","","10.1039/b925635k","","","0.7107","MoKα","","0.0622","0.0454","","","0.0818","0.0874","","","","","","1.076","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212345","8.5761","0.0011","9.754","0.0011","10.788","0.0014","65.345","0.003","73.471","0.003","72.509","0.003","768.95","0.17","140","2","140","2","","","","","","","","5","P -1","-P 1","2","(R*)-3-Ethoxycarbonyl-2-phenyl-3,5-dihydro-4,1-benzothiazepine","(R*)-3-Ethoxycarbonyl-2-phenyl-3,5-dihydro-4,1-benzothiazepine","","- C18 H17 N O2 S -","- C18 H17 N O2 S -","- C36 H34 N2 O4 S2 -","2","1","","Holczbauer, Tamás; Fábián, László; Csomós, Péter; Fodor, Lajos; Kálmán, Alajos","Annular desmotropy of three pairs of seven-membered heterocycles confirmed by X-ray crystallography","CrystEngComm","2010","12","6","1712","","10.1039/b925635k","","","0.56089","AgKα","","0.0307","0.0294","","","0.0742","0.0751","","","","","","1.094","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212346","7.7574","0.0001","11.3316","0.0002","17.9221","0.0003","90","","90","","90","","1575.42","0.04","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","3-Ethoxycarbonyl-2-(4-chlorophenyl)-1,5-dihydro-4,1- benzothiazepine","3-Ethoxycarbonyl-2-(4-chlorophenyl)-1,5-dihydro-4,1-benzothiazepine","","- C19 H19 N O2 S -","- C19 H19 N O2 S -","- C76 H76 N4 O8 S4 -","4","1","","Holczbauer, Tamás; Fábián, László; Csomós, Péter; Fodor, Lajos; Kálmán, Alajos","Annular desmotropy of three pairs of seven-membered heterocycles confirmed by X-ray crystallography","CrystEngComm","2010","12","6","1712","","10.1039/b925635k","","","1.54187","CuKα","","0.0275","0.027","","","0.0697","0.0699","","","","","","1.063","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212347","12.955","0.0004","7.1696","0.0002","18.6157","0.0008","90","","109.082","0.002","90","","1634.06","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(R*)-3-Ethoxycarbonyl-2-(4-chlorophenyl)-3,5-dihydro-4,1- benzothiazepine","(R*)-3-Ethoxycarbonyl-2-(4-chlorophenyl)-3,5-dihydro-4,1-benzothiazepine","","- C19 H19 N O2 S -","- C19 H19 N O2 S -","- C76 H76 N4 O8 S4 -","4","1","","Holczbauer, Tamás; Fábián, László; Csomós, Péter; Fodor, Lajos; Kálmán, Alajos","Annular desmotropy of three pairs of seven-membered heterocycles confirmed by X-ray crystallography","CrystEngComm","2010","12","6","1712","","10.1039/b925635k","","","0.7107","MoKα","","0.0634","0.0444","","","0.0848","0.0919","","","","","","1.045","","","","has coordinates,has disorder","180454","2020-10-21","18:00:00",""
"7212348","8.005","0.004","10.923","0.003","18.797","0.007","90","","90","","90","","1643.6","1.1","99","2","99","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","3-Ethoxycarbonyl-2-(4-methylphenyl)-1,5-dihydro-4,1- benzothiazepine","3-Ethoxycarbonyl-2-(4-methylphenyl)-1,5-dihydro-4,1-benzothiazepine","","- C18 H16 Cl N O2 S -","- C18 H16 Cl N O2 S -","- C72 H64 Cl4 N4 O8 S4 -","4","1","","Holczbauer, Tamás; Fábián, László; Csomós, Péter; Fodor, Lajos; Kálmán, Alajos","Annular desmotropy of three pairs of seven-membered heterocycles confirmed by X-ray crystallography","CrystEngComm","2010","12","6","1712","","10.1039/b925635k","","","0.7107","MoKα","","0.0517","0.0496","","","0.1148","0.1162","","","","","","1.257","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212349","12.699","0.002","7.2028","0.0009","18.542","0.003","90","","108.578","0.006","90","","1607.6","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(R*)-3-Ethoxycarbonyl-2-(4-methylphenyl)-3,5-dihydro-4,1- benzothiazepine","(R*)-3-Ethoxycarbonyl-2-(4-methylphenyl)-3,5-dihydro-4,1-benzothiazepine","","- C18 H16 Cl N O2 S -","- C18 H16 Cl N O2 S -","- C72 H64 Cl4 N4 O8 S4 -","4","1","","Holczbauer, Tamás; Fábián, László; Csomós, Péter; Fodor, Lajos; Kálmán, Alajos","Annular desmotropy of three pairs of seven-membered heterocycles confirmed by X-ray crystallography","CrystEngComm","2010","12","6","1712","","10.1039/b925635k","","","0.7107","MoKα","","0.0352","0.0313","","","0.075","0.0769","","","","","","1.096","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212350","15.2508","0.0004","9.1719","0.0003","14.8923","0.0004","90","","115.92","0.002","90","","1873.57","0.1","98","2","98","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","2-Ethoxycarbonyl-3-(4-chlorophenyl)-4,5-dihydro-7,8-dimethoxy- 1,4-benzothiazepine","2-Ethoxycarbonyl-3-(4-chlorophenyl)- 4,5-dihydro-7,8-dimethoxy-1,4-benzothiazepine","","- C20 H20 Cl N O4 S -","- C20 H20 Cl N O4 S -","- C80 H80 Cl4 N4 O16 S4 -","4","1","","Holczbauer, Tamás; Fábián, László; Csomós, Péter; Fodor, Lajos; Kálmán, Alajos","Annular desmotropy of three pairs of seven-membered heterocycles confirmed by X-ray crystallography","CrystEngComm","2010","12","6","1712","","10.1039/b925635k","","","1.54187","CuKα","","0.1311","0.0729","","","0.169","0.2473","","","","","","1.193","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212351","11.741","0.0006","11.741","0.0006","13.3199","0.0013","90","","90","","120","","1590.16","0.19","294","2","294","2","","","","","","","","5","P 63/m","-P 6c","176","","","","- C2.5 H1.5 Mn0.75 N2 O2 -","- C2.5 H1.5 Mn0.75 N2 O2 -","- C30 H18 Mn9 N24 O24 -","12","1","","Liao, Ju-Hsiou; Chen, Wan-Ting; Tsai, Cherng-Shiaw; Yang, Ching-Chun; Wang, Chih-Chieh","Synthesis, structure and hydrogen adsorption of a novel porous metal‒organic framework, Mn9(btt)2(HCOO)12·0.7DMF·0.9H2O, where btt = 1,3,5-benzenetristetrazolate","CrystEngComm","2010","12","10","3033","","10.1039/b925769a","","","0.71073","MoKα","","0.0524","0.049","","","0.1004","0.1019","","","","","","1.201","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212352","27.353","0.004","17.844","0.003","10.6753","0.0017","90","","90","","90","","5210.5","1.4","291","2","291","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C41 H46 Cu2 N2 O16 -","- C41 H46 Cu2 N2 O16 -","- C164 H184 Cu8 N8 O64 -","4","0.5","","Liang, Li-Li; Zhang, Jun; Ren, Shi-Bin; Ge, Gen-Wu; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng","Rational synthesis of a microporous metal‒organic framework with PtS topology using a semi-rigid tetrahedral linker","CrystEngComm","2010","12","7","2008","","10.1039/b925903a","","","0.71073","MoKα","","0.0578","0.0463","","","0.1144","0.1185","","","","","","1.094","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212353","7.9185","0.0019","9.3721","0.0017","9.958","0.002","66.366","0.011","89.136","0.018","87.928","0.017","676.6","0.3","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H28 N8 Na2 Ni O6 -","- C20 H28 N8 Na2 Ni O6 -","- C20 H28 N8 Na2 Ni O6 -","1","0.5","","Chen, Xi; Qiao, Shan-Bao; Liu, Dong; Lang, Jian-Ping; Zhang, Yong; Xu, Cheng; Ma, Shu-Lin","Solvent effects on the assembly of Ni/Na coordination polymers from reactions of [Ni(acac)2(H2O)2] with sodium dicyanamide","CrystEngComm","2010","12","5","1610","","10.1039/b925912k","","","0.7107","MoKα","","0.0606","0.0464","","","0.1068","0.1181","","","","","","1.078","","","","has coordinates","183806","2020-10-21","18:00:00",""
"7212354","22.33","0.004","10.9143","0.0015","17.122","0.003","90","","116.89","0.004","90","","3721.7","1.1","193","2","193","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H17 N4 Na Ni O4 -","- C14 H17 N4 Na Ni O4 -","- C112 H136 N32 Na8 Ni8 O32 -","8","1","","Chen, Xi; Qiao, Shan-Bao; Liu, Dong; Lang, Jian-Ping; Zhang, Yong; Xu, Cheng; Ma, Shu-Lin","Solvent effects on the assembly of Ni/Na coordination polymers from reactions of [Ni(acac)2(H2O)2] with sodium dicyanamide","CrystEngComm","2010","12","5","1610","","10.1039/b925912k","","","0.7107","MoKα","","0.0582","0.0458","","","0.0926","0.0982","","","","","","1.112","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212357","9.0281","0.0004","9.0281","0.0004","24.638","0.0017","90","","90","","90","","2008.16","0.19","173","2","173","2","","","","","","","","6","I -4","I -4","82","","","","- C42 H54 N6 Ni O8 S -","- C42 H54 N6 Ni O8 S -","- C84 H108 N12 Ni2 O16 S2 -","2","0.25","","McMurtrie, John; Dance, Ian","Alternative metal grid structures formed by [M(terpy)2]2+ and [M(terpyOH)2]2+ complexes with small and large tetrahedral dianions, and by [Ru(terpy)2]0","CrystEngComm","2010","12","10","2700","","10.1039/b926074a","","","0.71073","MoKα","","0.0815","0.067","","","0.1566","0.1625","","","","","","1.039","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212358","8.9069","0.001","13.303","0.0015","14.6187","0.0017","81.002","0.002","88.549","0.002","80.563","0.002","1687.7","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H22 Hg I4 N6 Ni -","- C30 H22 Hg I4 N6 Ni -","- C60 H44 Hg2 I8 N12 Ni2 -","2","1","","McMurtrie, John; Dance, Ian","Alternative metal grid structures formed by [M(terpy)2]2+ and [M(terpyOH)2]2+ complexes with small and large tetrahedral dianions, and by [Ru(terpy)2]0","CrystEngComm","2010","12","10","2700","","10.1039/b926074a","","","0.71073","MoKα","","0.032","0.0263","","","0.0563","0.058","","","","","","1.07","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212359","8.8394","0.0007","13.6356","0.001","13.7228","0.001","83.93","0.002","76.683","0.003","78.476","0.003","1574","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H33 N6 Ni O8.5 S -","- C33 H32 N6 Ni O8.5 S -","- C66 H64 N12 Ni2 O17 S2 -","2","1","","McMurtrie, John; Dance, Ian","Alternative metal grid structures formed by [M(terpy)2]2+ and [M(terpyOH)2]2+ complexes with small and large tetrahedral dianions, and by [Ru(terpy)2]0","CrystEngComm","2010","12","10","2700","","10.1039/b926074a","","","0.71073","MoKα","","0.0353","0.0337","","","0.1013","0.1028","","","","","","1.069","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212360","10.5753","0.0008","22.7664","0.0017","16.4343","0.0012","90","","94.515","0.002","90","","3944.5","0.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H47 Co N6 O13 S -","- C36 H47 Co N6 O13 S -","- C144 H188 Co4 N24 O52 S4 -","4","1","","McMurtrie, John; Dance, Ian","Alternative metal grid structures formed by [M(terpy)2]2+ and [M(terpyOH)2]2+ complexes with small and large tetrahedral dianions, and by [Ru(terpy)2]0","CrystEngComm","2010","12","10","2700","","10.1039/b926074a","","","0.71073","MoKα","","0.1277","0.0522","","","0.0692","0.0772","","","","","","1.009","","","","has coordinates,has disorder","180454","2020-10-21","18:00:00",""
"7212361","19.6431","0.0005","20.4335","0.0005","17.5714","0.0004","90","","96.217","0.003","90","","7011.3","0.3","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H30 B2 Co F8 N6 O6.5 -","- C30 H21 B2 Co F8 N6 O6.5 -","- C240 H168 B16 Co8 F64 N48 O52 -","8","1","","McMurtrie, John; Dance, Ian","Alternative metal grid structures formed by [M(terpy)2]2+ and [M(terpyOH)2]2+ complexes with small and large tetrahedral dianions, and by [Ru(terpy)2]0","CrystEngComm","2010","12","10","2700","","10.1039/b926074a","","","0.71073","MoKα","","0.1151","0.072","","","0.1901","0.2046","","","","","","1.024","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7212366","7.174","0.002","12.459","0.003","35.802","0.004","90","","90","","90","","3200","1.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-(4-nitrobenzoyl)-(DL)-serinate trihydrate","","- C33 H42 N4 O13 -","- C33 H34 N4 O13 -","- C132 H136 N16 O52 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Crucial factors influencing racemic resolution of N-(4-nitrobenzoyl)-dl-serine by brucine","CrystEngComm","2010","12","10","2781","","10.1039/b926090k","","","0.71073","MoKα","","0.0864","0.08","","","0.2101","0.2146","","","","","","1.092","","","","has coordinates,has disorder","180454","2020-10-21","18:00:00",""
"7212367","12.559","0.002","7.069","0.002","35.388","0.004","90","","92.13","0.03","90","","3139.6","1.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","brucinium N-(4-nitrobenzoyl)-D-serinate trihydrate","","- C33 H42 N4 O13 -","- C33 H42 N4 O13 -","- C132 H168 N16 O52 -","4","2","","Białońska, Agata; Ciunik, Zbigniew","Crucial factors influencing racemic resolution of N-(4-nitrobenzoyl)-dl-serine by brucine","CrystEngComm","2010","12","10","2781","","10.1039/b926090k","","","0.71073","MoKα","","0.055","0.0405","","","0.0803","0.0837","","","","","","1.003","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212368","17.561","0.004","12.479","0.003","23.694","0.004","90","","101.91","0.03","90","","5081","2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","brucinium N-(4-nitrobenzoyl)-L-serinate 1.66-hydrate methanol 1.66-solvate","brucinium N-(4-nitrobenzoyl)-L-serinate 1.66-hydrate methanol 1.66-solvate","","- C34.67 H46 N4 O13.33 -","- C34.6667 H46 N4 O13.3333 -","- C208 H276 N24 O80 -","6","3","","Białońska, Agata; Ciunik, Zbigniew","Crucial factors influencing racemic resolution of N-(4-nitrobenzoyl)-dl-serine by brucine","CrystEngComm","2010","12","10","2781","","10.1039/b926090k","","","0.71073","MoKα","","0.079","0.0587","","","0.1267","0.1344","","","","","","1.061","","","","has coordinates,has disorder","180454","2020-10-21","18:00:00",""
"7212369","7.745","0.002","12.322","0.002","35.716","0.004","90","","90","","90","","3408.5","1.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","brucinium N-(4-nitrobenzoyl)-(D!0.85$L!0.15$)-serinate methanol disolvate","brucinium N-(4-nitrobenzoyl)-(D~0.85~L~0.15~)-serinate methanol disolvate","","- C35 H44 N4 O12 -","- C35 H44 N4 O12 -","- C140 H176 N16 O48 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Crucial factors influencing racemic resolution of N-(4-nitrobenzoyl)-dl-serine by brucine","CrystEngComm","2010","12","10","2781","","10.1039/b926090k","","","0.71073","MoKα","","0.0515","0.0382","","","0.0868","0.0906","","","","","","0.984","","","","has coordinates,has disorder","180454","2020-10-21","18:00:00",""
"7212370","7.706","0.002","12.31","0.003","35.644","0.005","90","","90","","90","","3381.2","1.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-(4-nitrobenzoyl)-D-serinate methanol disolvate","","- C35 H44 N4 O12 -","- C35 H44 N4 O12 -","- C140 H176 N16 O48 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Crucial factors influencing racemic resolution of N-(4-nitrobenzoyl)-dl-serine by brucine","CrystEngComm","2010","12","10","2781","","10.1039/b926090k","","","0.71073","MoKα","","0.1481","0.0713","","","0.1624","0.2392","","","","","","0.999","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212371","10.494","0.002","13.966","0.002","26.751","0.003","90","","90","","90","","3920.6","1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-(4-nitrobenzoyl)-L-serinate methanol tetrasolvate","","- C37 H52 N4 O14 -","- C37 H52 N4 O14 -","- C148 H208 N16 O56 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Crucial factors influencing racemic resolution of N-(4-nitrobenzoyl)-dl-serine by brucine","CrystEngComm","2010","12","10","2781","","10.1039/b926090k","","","0.71073","MoKα","","0.1372","0.0768","","","0.2104","0.2285","","","","","","1.007","","","","has coordinates,has disorder","180454","2020-10-21","18:00:00",""
"7212372","7.85","0.002","12.477","0.002","33.105","0.004","90","","92.58","0.03","90","","3239.2","1.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","brucinium N-(4-nitrobenzoyl)-D-serinate 3.25-hydrate","","- C33 H42.5 N4 O13.25 -","- C33 H42.5 N4 O13.25 -","- C132 H170 N16 O53 -","4","2","","Białońska, Agata; Ciunik, Zbigniew","Crucial factors influencing racemic resolution of N-(4-nitrobenzoyl)-dl-serine by brucine","CrystEngComm","2010","12","10","2781","","10.1039/b926090k","","","0.71073","MoKα","","0.1103","0.0467","","","0.0828","0.0964","","","","","","0.895","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7212373","7.371","0.003","12.151","0.004","19.098","0.005","90","","91.31","0.03","90","","1710.1","1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H46 N4 O14.5 -","- C33 H40.832 N4 O14.5 -","- C66 H81.664 N8 O29 -","2","1","","Białońska, Agata; Ciunik, Zbigniew","Crucial factors influencing racemic resolution of N-(4-nitrobenzoyl)-dl-serine by brucine","CrystEngComm","2010","12","10","2781","","10.1039/b926090k","","","0.71073","MoKα","","0.1519","0.0904","","","0.2477","0.2762","","","","","","1.051","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7212374","7.996","0.003","33.138","0.005","12.679","0.003","90","","93.59","0.03","90","","3353","1.6","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","brucinium N-(4-nitrobenzoyl)-L-serinate tetrahydrate","","- C33 H44 N4 O14 -","- C33 H41.9185 N4 O14.0415 -","- C132 H167.674 N16 O56.166 -","4","2","","Białońska, Agata; Ciunik, Zbigniew","Crucial factors influencing racemic resolution of N-(4-nitrobenzoyl)-dl-serine by brucine","CrystEngComm","2010","12","10","2781","","10.1039/b926090k","","","0.71073","MoKα","","0.0725","0.0587","","","0.1493","0.1566","","","","","","1.046","","","","has coordinates,has disorder","180454","2020-10-21","18:00:00",""
"7212375","17.499","0.004","12.426","0.004","23.627","0.005","90","","102.14","0.03","90","","5023","2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","brucinium N-(4-nitrobenzoyl)-L-serinate 3.11-hydrate ethanol 0.22-solvate","brucinium N-(4-nitrobenzoyl)-L-serinate 3.11-hydrate ethanol 0.22-solvate","","- C33.44 H43.54 N4 O13.33 -","- C33.4453 H35 N4 O13.3333 -","- C200.672 H210 N24 O80 -","6","3","","Białońska, Agata; Ciunik, Zbigniew","Crucial factors influencing racemic resolution of N-(4-nitrobenzoyl)-dl-serine by brucine","CrystEngComm","2010","12","10","2781","","10.1039/b926090k","","","0.71073","MoKα","","0.2349","0.1028","","","0.1803","0.2203","","","","","","1.004","","","","has coordinates,has disorder","180454","2020-10-21","18:00:00",""
"7212376","9.332","0.002","12.953","0.003","26.793","0.005","90","","90","","90","","3238.7","1.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-(4-nitrobenzoyl)-L-serinate ethanol solvate","","- C35 H42 N4 O11 -","- C35 H42 N4 O11 -","- C140 H168 N16 O44 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Crucial factors influencing racemic resolution of N-(4-nitrobenzoyl)-dl-serine by brucine","CrystEngComm","2010","12","10","2781","","10.1039/b926090k","","","0.71073","MoKα","","0.0476","0.0416","","","0.1014","0.1038","","","","","","1.063","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212377","9.641","0.002","10.308","0.002","33.653","0.004","90","","90","","90","","3344.4","1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-(4-nitrobenzoyl)-L-serinate ethanol solvate","","- C35 H42 N4 O11 -","- C35 H36 N4 O11 -","- C140 H144 N16 O44 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Crucial factors influencing racemic resolution of N-(4-nitrobenzoyl)-dl-serine by brucine","CrystEngComm","2010","12","10","2781","","10.1039/b926090k","","","0.71073","MoKα","","0.0561","0.0397","","","0.098","0.1095","","","","","","1.037","","","","has coordinates,has disorder","180454","2020-10-21","18:00:00",""
"7212378","11.2635","0.0005","9.8212","0.0005","10.1458","0.0003","90","","102.981","0.002","90","","1093.66","0.08","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C6 H17 F3 Ga N2 O3 P -","- C6 H17 F3 Ga N2 O3 P -","- C24 H68 F12 Ga4 N8 O12 P4 -","4","1","","Huang, Liangliang; Song, Tianyou; Zhang, Lirong; Chen, Yanli; Jiang, Jinhua; Xu, Jianing; Wang, Li","Synthesis, crystal structure and characterization of a new layered gallium phosphite Ga(HPO3)F3·(trans-C6N2H16) with left- and right-handed helical chains","CrystEngComm","2010","12","7","2198","","10.1039/b926096j","","","0.71073","MoKα","","0.0386","0.0289","","","0.0743","0.0788","","","","","","1.042","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212379","9.9151","0.0001","14.063","0.0002","14.5961","0.0002","73.414","0.001","81.794","0.001","82.517","0.001","1921.96","0.04","123","2","123","2","","","","","","","","3","P -1","-P 1","2","(B1),(B2):(B3),(B4)-Bis(ethylene)-(3'E,8E)-3'-(2-(B1)oxy-3- methoxybenzylidene)-8-(2-(B2)oxy-3-methoxybenzylidene)-3-(2-(B3)oxy-3- methoxyphenyl)-4-(2-(B4)oxy-3-methoxyphenyl)-3,4,5,6,7,8- hexahydrospiro(chromene-2,1'-cyclohexan)-2'-one","[B1],[B2]:[B3],[B4]-Bis(ethylene)-(3'E,8E)-3'-(2-[B1]oxy-3-methoxybenzylidene)- 8-(2-[B2]oxy-3-methoxybenzylidene)-3-(2-[B3]oxy-3-methoxyphenyl)-4-(2-[B4]oxy- 3-methoxyphenyl)-3,4,5,6,7,8-hexahydrospiro[chromene-2,1'-cyclohexan]-2'-one","","- C48 H48 O10 -","- C48 H48 O10 -","- C96 H96 O20 -","2","1","","Higham, Luke T.; Scott, Janet L.; Strauss, Christopher R.","Closing the cavity: reactive and light switchable dienone-ether macrocycles","CrystEngComm","2010","12","10","2803","","10.1039/b926132j","","x-ray","0.71073","MoKα","","0.0615","0.0415","","","0.0898","0.0973","","","","","","1.042","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212380","15.7123","0.0002","17.7118","0.0003","8.1342","0.0005","90","","90","","90","","2263.69","0.15","123","2","123","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","(1E,11E,16Z,26Z)-3,4:9,10:18,19:24,25-Tetrabenzo-14,29- dimethyl-5,8,20,23-tetraoxa-tricyclo(25.3.1.1(12,16))dotriaconta- 1,3,9,11,16,18,24,26-octaene-31,32-dione chloroform solvate","(1E,11E,16Z,26Z)-3,4:9,10:18,19:24,25-Tetrabenzo-14,29-dimethyl-5,8,20,23- tetraoxa-tricyclo[25.3.1.1(12,16)]dotriaconta-1,3,9,11,16,18,24,26-octaene- 31,32-dione chloroform solvate","","- C24 H23 Cl3 O3 -","- C24 H23 Cl3 O3 -","- C96 H92 Cl12 O12 -","4","1","","Higham, Luke T.; Scott, Janet L.; Strauss, Christopher R.","Closing the cavity: reactive and light switchable dienone-ether macrocycles","CrystEngComm","2010","12","10","2803","","10.1039/b926132j","","x-ray","0.71073","MoKα","","0.0688","0.0414","","","0.0757","0.0841","","","","","","1.021","","","","has coordinates,has disorder","180454","2020-10-21","18:00:00",""
"7212381","15.2347","0.0005","9.1731","0.0003","16.4115","0.0007","90","","91.89","0.03","90","","2292.25","0.15","298","2","298","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","(1E,11E,16Z,27Z)-3,4:9,10:18,19:25,26-Tetrabenzo-5,8,20,24- tetraoxa-tricyclo(26.3.1.1(12,16))tritriaconta-1,3,9,11,16,18,25,27- octaene-32,33-dione chloroform solvate","(1E,11E,16Z,27Z)-3,4:9,10:18,19:25,26-Tetrabenzo-5,8,20,24-tetraoxa- tricyclo[26.3.1.1(12,16)]tritriaconta-1,3,9,11,16,18,25,27-octaene-32,33-dione chloroform solvate","","- C23.5 H22 Cl3 O3 -","- C23.5 H22 Cl3.01 O3 -","- C94 H88 Cl12.04 O12 -","4","1","","Higham, Luke T.; Scott, Janet L.; Strauss, Christopher R.","Closing the cavity: reactive and light switchable dienone-ether macrocycles","CrystEngComm","2010","12","10","2803","","10.1039/b926132j","","x-ray","0.71073","MoKα","","0.3581","0.1515","","","0.4033","0.4895","","","","","","1.193","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7212383","7.8142","0.0013","15.916","0.003","16.116","0.003","90","","90","","90","","2004.4","0.6","123.1","","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H25 N O2 -","- C26 H25 N O2 -","- C104 H100 N4 O8 -","4","1","","Ichikawa, Akio; Ono, Hiroshi; Takenaka, Makiko; Mikata, Yuji","Crystal conformations and molecular packing of (S)-2-methoxy-2-(9-phenanthryl)propanoic acid and a diastereomeric amide prepared from (R)-2-methoxy-2-(1-naphthyl)propanoic acid","CrystEngComm","2010","12","7","2261","","10.1039/b926356j","","","0.7107","MoKα","","","0.0417","","","","0.1021","","","","","","1.132","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212384","7.3882","0.0009","12.1092","0.0016","16.307","0.002","90","","90","","90","","1458.9","0.3","123.1","","123","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 O3 -","- C18 H16 O3 -","- C72 H64 O12 -","4","1","","Ichikawa, Akio; Ono, Hiroshi; Takenaka, Makiko; Mikata, Yuji","Crystal conformations and molecular packing of (S)-2-methoxy-2-(9-phenanthryl)propanoic acid and a diastereomeric amide prepared from (R)-2-methoxy-2-(1-naphthyl)propanoic acid","CrystEngComm","2010","12","7","2261","","10.1039/b926356j","","","0.7107","MoKα","","","0.0299","","","","0.0799","","","","","","1.067","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212402","26.2828","0.0019","13.503","0.0009","21.8199","0.0016","90","","106.818","0.004","90","","7412.6","0.9","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C75.8 H63.2 Br3 Mn3 N9 O15 -","- C75.8 H63.2 Br3 Mn3 N9 O15 -","- C303.2 H252.8 Br12 Mn12 N36 O60 -","4","1","","Constable, Edwin C.; Zhang, Guoqi; Coronado, Eugenio; Housecroft, Catherine E.; Neuburger, Markus","Not just size and shape: spherically symmetrical d5 and d10 metal ions give different coordination nets with 4,2′:6′,4″-terpyridines","CrystEngComm","2010","12","7","2139","","10.1039/b926597j","","","0.71073","MoKα","","0.1143","0.0444","","0.0769","0.0465","0.0465","","","","","","1.1229","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212403","26.0368","0.0008","15.0774","0.0005","8.0056","0.0003","90","","107.238","0.002","90","","3001.57","0.18","123","","123","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H26 Br N3 O8 Zn2 -","- C29 H26 Br N3 O8 Zn2 -","- C116 H104 Br4 N12 O32 Zn8 -","4","0.5","","Constable, Edwin C.; Zhang, Guoqi; Coronado, Eugenio; Housecroft, Catherine E.; Neuburger, Markus","Not just size and shape: spherically symmetrical d5 and d10 metal ions give different coordination nets with 4,2′:6′,4″-terpyridines","CrystEngComm","2010","12","7","2139","","10.1039/b926597j","","","0.71073","MoKα","","0.0476","0.026","","0.0441","0.0285","0.0285","","","","","","1.0291","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212404","8.1338","0.0004","14.902","0.0007","25.27","0.001","90","","90.457","0.003","90","","3062.9","0.2","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H29 N3 O8 S Zn2 -","- C30 H29 N3 O8 S Zn2 -","- C120 H116 N12 O32 S4 Zn8 -","4","1","","Constable, Edwin C.; Zhang, Guoqi; Coronado, Eugenio; Housecroft, Catherine E.; Neuburger, Markus","Not just size and shape: spherically symmetrical d5 and d10 metal ions give different coordination nets with 4,2′:6′,4″-terpyridines","CrystEngComm","2010","12","7","2139","","10.1039/b926597j","","","0.71073","MoKα","","0.0861","0.0389","","0.1174","0.0406","0.0406","","","","","","1.1055","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212405","7.8681","0.0016","26.63","0.005","13.461","0.003","90","","100.53","0.03","90","","2773","1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 I4 N3 Zn -","- C23 H21 I4 N3 Zn -","- C92 H84 I16 N12 Zn4 -","4","1","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Assembling and dissembling zinc-containing coordination polymers of 4′-phenyl-4,2′:6′,4″-terpyridine","CrystEngComm","2010","12","7","2146","","10.1039/b926598h","","","0.71073","MoKα","","0.0296","0.0281","","","0.0679","0.0688","","","","","","1.138","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212406","7.9794","0.0005","16.857","0.0013","23.6586","0.0015","90","","95.413","0.005","90","","3168.1","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H28 I4 N4 Zn -","- C27 H28 I4 N4 Zn -","- C108 H112 I16 N16 Zn4 -","4","1","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Assembling and dissembling zinc-containing coordination polymers of 4′-phenyl-4,2′:6′,4″-terpyridine","CrystEngComm","2010","12","7","2146","","10.1039/b926598h","","","0.71073","MoKα","","0.0346","0.0341","","","0.084","0.0843","","","","","","1.154","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212407","8.1857","0.0016","19.653","0.004","13.625","0.003","90","","100.45","0.03","90","","2155.5","0.8","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H21 N3 O4 Zn -","- C25 H21 N3 O4 Zn -","- C100 H84 N12 O16 Zn4 -","4","1","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Assembling and dissembling zinc-containing coordination polymers of 4′-phenyl-4,2′:6′,4″-terpyridine","CrystEngComm","2010","12","7","2146","","10.1039/b926598h","","","0.71073","MoKα","","0.0268","0.0264","","","0.0698","0.0701","","","","","","1.077","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212408","26.1802","0.0006","15.2942","0.0006","8.0478","0.0002","90","","107.449","0.002","90","","3074.1","0.16","123","","123","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29.3 H27.6 Cl0.6 N3 O8 Zn2 -","- C29.3 H27.6 Cl0.6 N3 O8 Zn2 -","- C117.2 H110.4 Cl2.4 N12 O32 Zn8 -","4","0.5","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Assembling and dissembling zinc-containing coordination polymers of 4′-phenyl-4,2′:6′,4″-terpyridine","CrystEngComm","2010","12","7","2146","","10.1039/b926598h","","","0.71073","MoKα","","0.0489","0.0343","","0.0566","0.0323","0.03","","","","","","1.0449","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212409","24.3822","0.0019","12.6226","0.001","10.0392","0.0008","90","","95.283","0.002","90","","3076.6","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H30 Cu2 N2 O8 -","- C33 H30 Cu2 N2 O8 -","- C132 H120 Cu8 N8 O32 -","4","1","","Sposato, Laura K.; Nettleman, Joseph A.; LaDuca, Robert L.","Isomer dependent self-penetrated topologies and cluster subunits in copper phenylenediacetate coordination polymers with flexible dipyridyl ligands","CrystEngComm","2010","12","8","2374","","10.1039/b926914b","","","0.71073","MoKα","","0.0577","0.0417","","","0.0981","0.1042","","","","","","1.059","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212410","9.8148","0.0012","10.9124","0.0014","14.4129","0.0016","96.247","0.004","106.864","0.002","109.411","0.002","1356.8","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H29 Cu2 N2 O8 -","- C28 H29 Cu2 N2 O8 -","- C56 H58 Cu4 N4 O16 -","2","1","","Sposato, Laura K.; Nettleman, Joseph A.; LaDuca, Robert L.","Isomer dependent self-penetrated topologies and cluster subunits in copper phenylenediacetate coordination polymers with flexible dipyridyl ligands","CrystEngComm","2010","12","8","2374","","10.1039/b926914b","","","0.71073","MoKα","","0.0314","0.0259","","","0.0649","0.0678","","","","","","1.045","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212411","10.3429","0.0005","27.917","0.001","18.849","0.001","90","","101.261","0.005","90","","5337.7","0.4","120","1","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C178 H70 Cl4 N8 -","- C178 H70 Cl4 N8 -","- C356 H140 Cl8 N16 -","2","0.5","","Konarev, Dmitri V.; Khasanov, Salavat S.; Simonov, Sergey V.; Yudanova, Evgeniya I.; Lyubovskaya, Rimma N.","The formation of diamagnetic singly bonded (C70−)2 dimers in ionic complexes of fullerene C70 with tetrakis(dimethylaminoethylene)","CrystEngComm","2010","12","11","3542","","10.1039/b927130a","","","0.7107","MoKα","","0.066","0.0475","","","0.113","0.12","","","","","","1.07","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212412","16.919","0.001","17.141","0.001","18.257","0.002","90","","110.19","0.01","90","","4969.3","0.8","100","1","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C172 H56 Cl4 N8 -","- C172.005 H56.0032 Cl4.0016 N8 -","- C344.01 H112.006 Cl8.0032 N16 -","2","0.5","","Konarev, Dmitri V.; Khasanov, Salavat S.; Simonov, Sergey V.; Yudanova, Evgeniya I.; Lyubovskaya, Rimma N.","The formation of diamagnetic singly bonded (C70−)2 dimers in ionic complexes of fullerene C70 with tetrakis(dimethylaminoethylene)","CrystEngComm","2010","12","11","3542","","10.1039/b927130a","","","0.71073","MoKα","","0.0586","0.0458","","","0.1199","0.1266","","","","","","1.084","","","","has coordinates,has disorder","180455","2020-10-21","18:00:00",""
"7212413","8.9751","0.0003","24.4278","0.0006","12.0085","0.0003","90","","107.797","0.003","90","","2506.78","0.13","123","2","123","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C30 H42 Co2 N4 O19 -","- C30 H16 Co2 N4 O19.06 -","- C60 H32 Co4 N8 O38.12 -","2","0.25","","Hao, Hong-Qing; Lin, Zhuo-Jia; Hu, Sheng; Liu, Wen-Ting; Zheng, Yan-Zhen; Tong, Ming-Liang","Nanoporous metal‒organic framework comprising of 1D cobalt oxalate chains and flexible ligands exhibiting both dynamic gas adsorption and antiferromagnetic chain behaviours","CrystEngComm","2010","12","7","2225","","10.1039/b927200c","","","1.54178","CuKα","","0.1101","0.0925","","","0.2354","0.2636","","","","","","1.074","","","","has coordinates,has disorder","180455","2020-10-21","18:00:00",""
"7212414","8.5597","0.0003","9.3106","0.0002","15.2765","0.0004","100.454","0.002","97.874","0.001","109.096","0.001","1105.84","0.06","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H26 N4 O2 -","- C26 H26 N4 O2 -","- C52 H52 N8 O4 -","2","1","","Pogozhev, Dmitry; Baudron, Stéphane A.; Hosseini, Mir Wais","Combination of hydrogen and coordination bonding for the construction of one-dimensional networks based on a 7-azaindole appended dipyrrin","CrystEngComm","2010","12","7","2238","","10.1039/b927348d","","","0.71073","MoKα","","0.0807","0.0566","","","0.1521","0.1695","","","","","","1.061","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212415","10.7498","0.0002","16.8606","0.0003","24.8963","0.0006","90","","99.305","0.001","90","","4453.03","0.16","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H22 Cu N4 O2 -","- C27 H22 Cu N4 O2 -","- C216 H176 Cu8 N32 O16 -","8","2","","Pogozhev, Dmitry; Baudron, Stéphane A.; Hosseini, Mir Wais","Combination of hydrogen and coordination bonding for the construction of one-dimensional networks based on a 7-azaindole appended dipyrrin","CrystEngComm","2010","12","7","2238","","10.1039/b927348d","","","0.71073","MoKα","","0.0584","0.0402","","","0.0978","0.107","","","","","","1.038","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212416","10.1522","0.0002","11.1044","0.0002","20.8685","0.0004","84.771","0.001","86.217","0.001","67.198","0.001","2158.51","0.07","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H49 Co N6 O7 -","- C48 H49 Co N6 O7 -","- C96 H98 Co2 N12 O14 -","2","1","","Pogozhev, Dmitry; Baudron, Stéphane A.; Hosseini, Mir Wais","Combination of hydrogen and coordination bonding for the construction of one-dimensional networks based on a 7-azaindole appended dipyrrin","CrystEngComm","2010","12","7","2238","","10.1039/b927348d","","","0.71073","MoKα","","0.0782","0.0581","","","0.1508","0.1643","","","","","","1.04","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212417","13.7544","0.0003","14.2777","0.0003","14.5027","0.0006","100.014","0.001","92.705","0.001","117.282","0.001","2466.34","0.13","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C62 H48 N8 Zn -","- C62 H48 N8 Zn -","- C124 H96 N16 Zn2 -","2","1","","Pogozhev, Dmitry; Baudron, Stéphane A.; Hosseini, Mir Wais","Combination of hydrogen and coordination bonding for the construction of one-dimensional networks based on a 7-azaindole appended dipyrrin","CrystEngComm","2010","12","7","2238","","10.1039/b927348d","","","0.71073","MoKα","","0.0464","0.0363","","","0.0849","0.0906","","","","","","1.023","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212418","9.4224","0.0003","14.623","0.0004","24.5401","0.0007","90","","92.226","0.001","90","","3378.68","0.17","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H30 Cu N8 -","- C44 H30 Cu N8 -","- C176 H120 Cu4 N32 -","4","1","","Pogozhev, Dmitry; Baudron, Stéphane A.; Hosseini, Mir Wais","Combination of hydrogen and coordination bonding for the construction of one-dimensional networks based on a 7-azaindole appended dipyrrin","CrystEngComm","2010","12","7","2238","","10.1039/b927348d","","","0.71073","MoKα","","0.0695","0.0511","","","0.124","0.133","","","","","","1.055","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212419","12.724","0.0006","14.9607","0.0007","9.1463","0.0004","90","","109.72","0.002","90","","1638.98","0.13","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H30 N8 Ni -","- C44 H30 N8 Ni -","- C88 H60 N16 Ni2 -","2","0.5","","Pogozhev, Dmitry; Baudron, Stéphane A.; Hosseini, Mir Wais","Combination of hydrogen and coordination bonding for the construction of one-dimensional networks based on a 7-azaindole appended dipyrrin","CrystEngComm","2010","12","7","2238","","10.1039/b927348d","","","0.71073","MoKα","","0.0717","0.0601","","","0.193","0.2059","","","","","","1.052","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212420","5.3769","0.0004","11.3121","0.0008","16.9006","0.0011","101.325","0.003","96.441","0.003","103.112","0.003","968.36","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","bis(nicotinamide).(citric acid)","bis(nicotinamide).(citric acid)","","- C18 H20 N4 O9 -","- C18 H20 N4 O9 -","- C36 H40 N8 O18 -","2","1","","Lemmerer, Andreas; Bernstein, Joel","The co-crystal of two GRAS substances: (citric acid)·(nicotinamide). Formation of four hydrogen bonding heterosynthons in one co-crystal","CrystEngComm","2010","12","7","2029","","10.1039/b927422g","","","0.71073","MoKα","","0.0791","0.0428","","","0.1086","0.1261","","","","","","1.034","","","","has coordinates,has disorder","180455","2020-10-21","18:00:00",""
"7212421","9.288","0.002","14.508","0.003","14.752","0.003","108.497","0.004","101.088","0.004","91.485","0.004","1841.9","0.7","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H24 N4 O20.5 -","- C34 H24 N4 O20.5 -","- C68 H48 N8 O41 -","2","1","","Yang, Yong; Xue, Min; Chen, Chuan-Feng","Nanotoroidal tubule assembled from a functionalized oxacalix[4]arene","CrystEngComm","2010","12","11","3502","","10.1039/b927446d","","","0.71073","MoKα","","0.1491","0.069","","","0.1694","0.2146","","","","","","1.077","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212422","29.812","0.006","9.6688","0.0019","18.052","0.004","90","","90","","90","","5203.4","1.9","295","2","295","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C27 H28 N2 O6 Zn -","- C27 H28 N2 O6 Zn -","- C216 H224 N16 O48 Zn8 -","8","","","Zheng, Yue-Qing; Zhang, Jie; Liu, Ji-Yong","New Zn(ii) coordination polymers with 1,3-bis(4-pyridyl)-propane: syntheses, crystal structures and properties","CrystEngComm","2010","12","10","2740","","10.1039/b927448k","","","0.71073","MoKα","","0.0659","0.0412","","","0.0746","0.0828","","","","","","1.017","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212423","11.703","0.002","18.55","0.004","11.954","0.002","90","","99.55","0.03","90","","2559.1","0.9","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H28 N2 O4 Zn -","- C29 H28 N2 O4 Zn -","- C116 H112 N8 O16 Zn4 -","4","1","","Zheng, Yue-Qing; Zhang, Jie; Liu, Ji-Yong","New Zn(ii) coordination polymers with 1,3-bis(4-pyridyl)-propane: syntheses, crystal structures and properties","CrystEngComm","2010","12","10","2740","","10.1039/b927448k","","","0.71073","MoKα","","0.1214","0.0521","","","0.1143","0.1844","","","","","","1.132","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212424","12.03","0.002","13.949","0.003","12.384","0.003","90","","91.3","0.03","90","","2077.6","0.8","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H40 N4 O10 Zn2 -","- C42 H40 N4 O10 Zn2 -","- C84 H80 N8 O20 Zn4 -","2","1","","Zheng, Yue-Qing; Zhang, Jie; Liu, Ji-Yong","New Zn(ii) coordination polymers with 1,3-bis(4-pyridyl)-propane: syntheses, crystal structures and properties","CrystEngComm","2010","12","10","2740","","10.1039/b927448k","","","0.71073","MoKα","","0.1234","0.0728","","","0.1771","0.2011","","","","","","1.029","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212425","10.504","0.002","15.411","0.003","20.264","0.004","90","","90","","90","","3280.3","1.1","293","2","295","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C17 H14 N2 O4 Zn -","- C17 H14 N2 O4 Zn -","- C136 H112 N16 O32 Zn8 -","8","1","","Zheng, Yue-Qing; Zhang, Jie; Liu, Ji-Yong","New Zn(ii) coordination polymers with 1,3-bis(4-pyridyl)-propane: syntheses, crystal structures and properties","CrystEngComm","2010","12","10","2740","","10.1039/b927448k","","","0.71073","MoKα","","0.0822","0.0416","","","0.0698","0.0886","","","","","","1.068","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212426","12.283","0.003","13.386","0.003","13.931","0.003","102.14","0.03","101.47","0.03","95.13","0.03","2173.9","1","99","2","99","2","","","","","","","","5","P -1","-P 1","2","","","","- C43.5 H35.5 Mn3 N2.5 O14.5 -","- C43.5 H32 Mn3 N2.5 O14.5 -","- C87 H64 Mn6 N5 O29 -","2","1","","Jeong, Sehyun; Choi, Jungwook; Park, Mira; Oh, Minhak; Moon, Dohyun; Lah, Myoung Soo","A microporous metal‒organic framework constructed from a 1D column made of linear trinuclear manganese secondary building units","CrystEngComm","2010","12","7","2179","","10.1039/b927590h","","","0.8","synchrotron","","0.0592","0.0475","","","0.1295","0.1354","","","","","","1.074","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7212427","12.8954","0.001","12.1734","0.0009","22.9113","0.0017","90","","96.499","0.001","90","","3573.5","0.5","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H40 Ag4 N8 O14 S2 -","- C26 H32 Ag4 N8 O14 S2 -","- C104 H128 Ag16 N32 O56 S8 -","4","1","","Zheng, Xiao-Feng; Zhu, Long-Guan","Diverse structural assemblies and variable conductivities of silver-hexamethylenetetramine coordination polymers with 2-, 3-, and 4-sulfobenzoate ligands","CrystEngComm","2010","12","10","2878","","10.1039/c000028k","","","0.71073","MoKα","","0.1099","0.105","","","0.2686","0.2709","","","","","","1.189","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212428","12.3001","0.001","11.1003","0.0009","43.003","0.004","90","","90","","90","","5871.4","0.9","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H36 Ag3 N9 O12 S -","- C19 H28 Ag3 N9 O12 S -","- C152 H224 Ag24 N72 O96 S8 -","8","1","","Zheng, Xiao-Feng; Zhu, Long-Guan","Diverse structural assemblies and variable conductivities of silver-hexamethylenetetramine coordination polymers with 2-, 3-, and 4-sulfobenzoate ligands","CrystEngComm","2010","12","10","2878","","10.1039/c000028k","","","0.71073","MoKα","","0.0503","0.0364","","","0.092","0.1014","","","","","","1.06","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212429","17.116","0.0008","33.9351","0.0016","8.3694","0.0004","90","","95.924","0.001","90","","4835.3","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H68 Ag6 La4 N16 O50 -","- C74 H68 Ag6 La4 N16 O50 -","- C148 H136 Ag12 La8 N32 O100 -","2","0.5","","Li, Zhao-Yang; Dai, Jing-Wei; Yue, Shan-Tang; Liu, Ying-Liang","Novel three-dimensional Ln‒Ag 4d‒4f heteropentametallic helix-based microporous metal‒organic framework with unprecedented (3,4,5,6)-connected topology constructed from isonicotinate ligand","CrystEngComm","2010","12","7","2014","","10.1039/c000058b","","","0.71073","MoKα","","0.0554","0.0366","","","0.0717","0.0794","","","","","","1.042","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212431","5.6004","0.0003","13.8743","0.0007","15.1686","0.0009","93.515","0.002","90.117","0.002","93.332","0.003","1174.4","0.11","240","2","240","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H11 Br S -","- C13 H11 Br S -","- C52 H44 Br4 S4 -","4","2","","Brondel, Nicolas; Moynihan, Eamonn J. A.; Lehane, K. Niamh; Eccles, Kevin S.; Elcoate, Curtis J.; Coles, Simon J.; Lawrence, Simon E.; Maguire, Anita R.","Does intermolecular SO⋯H‒C‒SO hydrogen bonding in sulfoxides and sulfones provide a robust supramolecular synthon in the solid state?","CrystEngComm","2010","12","10","2910","","10.1039/c000371a","","","0.71069","MoKα","","0.1112","0.0786","","","0.2028","0.2224","","","","","","1.058","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212432","30.458","0.003","5.4558","0.0006","8.0849","0.0005","90","","90.494","0.007","90","","1343.4","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 O2 S -","- C15 H16 O2 S -","- C60 H64 O8 S4 -","4","1","","Brondel, Nicolas; Moynihan, Eamonn J. A.; Lehane, K. Niamh; Eccles, Kevin S.; Elcoate, Curtis J.; Coles, Simon J.; Lawrence, Simon E.; Maguire, Anita R.","Does intermolecular SO⋯H‒C‒SO hydrogen bonding in sulfoxides and sulfones provide a robust supramolecular synthon in the solid state?","CrystEngComm","2010","12","10","2910","","10.1039/c000371a","","","0.71073","MoKα","","0.0866","0.04","","","0.0876","0.1069","","","","","","1.014","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212433","8.1016","0.0003","5.30912","0.00018","16.8806","0.0005","90","","97.057","0.003","90","","720.57","0.04","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H18 O2 S -","- C16 H18 O2 S -","- C32 H36 O4 S2 -","2","1","","Brondel, Nicolas; Moynihan, Eamonn J. A.; Lehane, K. Niamh; Eccles, Kevin S.; Elcoate, Curtis J.; Coles, Simon J.; Lawrence, Simon E.; Maguire, Anita R.","Does intermolecular SO⋯H‒C‒SO hydrogen bonding in sulfoxides and sulfones provide a robust supramolecular synthon in the solid state?","CrystEngComm","2010","12","10","2910","","10.1039/c000371a","","","1.54184","CuKα","","0.0363","0.0348","","","0.0957","0.0977","","","","","","1.084","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212434","7.8617","0.0002","22.6828","0.0006","8.5775","0.0002","90","","115.334","0.001","90","","1382.48","0.06","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 O2 S -","- C16 H18 O2 S -","- C64 H72 O8 S4 -","4","1","","Brondel, Nicolas; Moynihan, Eamonn J. A.; Lehane, K. Niamh; Eccles, Kevin S.; Elcoate, Curtis J.; Coles, Simon J.; Lawrence, Simon E.; Maguire, Anita R.","Does intermolecular SO⋯H‒C‒SO hydrogen bonding in sulfoxides and sulfones provide a robust supramolecular synthon in the solid state?","CrystEngComm","2010","12","10","2910","","10.1039/c000371a","","","0.71073","MoKα","","0.0398","0.0325","","","0.0829","0.0871","","","","","","1.06","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212435","8.749","0.0009","5.333","0.0005","24.881","0.003","90","","90","","90","","1160.9","0.2","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C13 H10 F2 O2 S -","- C13 H10 F2 O2 S -","- C52 H40 F8 O8 S4 -","4","1","","Brondel, Nicolas; Moynihan, Eamonn J. A.; Lehane, K. Niamh; Eccles, Kevin S.; Elcoate, Curtis J.; Coles, Simon J.; Lawrence, Simon E.; Maguire, Anita R.","Does intermolecular SO⋯H‒C‒SO hydrogen bonding in sulfoxides and sulfones provide a robust supramolecular synthon in the solid state?","CrystEngComm","2010","12","10","2910","","10.1039/c000371a","","","0.71073","MoKα","","0.0345","0.0296","","","0.0691","0.0718","","","","","","1.043","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212436","15.345","0.014","5.395","0.002","8.604","0.007","90","","105.57","0.03","90","","686.2","0.9","150","2","150","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C15 H16 O4 S -","- C15 H16 O4 S -","- C30 H32 O8 S2 -","2","1","","Brondel, Nicolas; Moynihan, Eamonn J. A.; Lehane, K. Niamh; Eccles, Kevin S.; Elcoate, Curtis J.; Coles, Simon J.; Lawrence, Simon E.; Maguire, Anita R.","Does intermolecular SO⋯H‒C‒SO hydrogen bonding in sulfoxides and sulfones provide a robust supramolecular synthon in the solid state?","CrystEngComm","2010","12","10","2910","","10.1039/c000371a","","","0.71073","MoKα","","0.1135","0.0809","","","0.1918","0.2263","","","","","","1.066","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212437","13.0726","0.0006","5.289","0.0002","8.9303","0.0003","90","","90.231","0.003","90","","617.44","0.04","120","2","120","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C13 H10 F N O4 S -","- C13 H10 F N O4 S -","- C26 H20 F2 N2 O8 S2 -","2","1","","Brondel, Nicolas; Moynihan, Eamonn J. A.; Lehane, K. Niamh; Eccles, Kevin S.; Elcoate, Curtis J.; Coles, Simon J.; Lawrence, Simon E.; Maguire, Anita R.","Does intermolecular SO⋯H‒C‒SO hydrogen bonding in sulfoxides and sulfones provide a robust supramolecular synthon in the solid state?","CrystEngComm","2010","12","10","2910","","10.1039/c000371a","","","0.71073","MoKα","","0.0272","0.0263","","","0.0667","0.0675","","","","","","1.072","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212438","17.924","0.004","9.756","0.003","8.672","0.0017","90","","92.355","0.008","90","","1515.2","0.6","291","2","291","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C16 H18 O4 S -","- C16 H18 O4 S -","- C64 H72 O16 S4 -","4","1","","Brondel, Nicolas; Moynihan, Eamonn J. A.; Lehane, K. Niamh; Eccles, Kevin S.; Elcoate, Curtis J.; Coles, Simon J.; Lawrence, Simon E.; Maguire, Anita R.","Does intermolecular SO⋯H‒C‒SO hydrogen bonding in sulfoxides and sulfones provide a robust supramolecular synthon in the solid state?","CrystEngComm","2010","12","10","2910","","10.1039/c000371a","","","0.71073","MoKα","","0.0765","0.042","","","0.0724","0.08","","","","","","1.007","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212439","16.3313","0.0011","19.8342","0.0014","8.2586","0.0005","90","","109.308","0.002","90","","2524.6","0.3","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C14 H12 F2 O2 S -","- C14 H12 F2 O2 S -","- C112 H96 F16 O16 S8 -","8","2","","Brondel, Nicolas; Moynihan, Eamonn J. A.; Lehane, K. Niamh; Eccles, Kevin S.; Elcoate, Curtis J.; Coles, Simon J.; Lawrence, Simon E.; Maguire, Anita R.","Does intermolecular SO⋯H‒C‒SO hydrogen bonding in sulfoxides and sulfones provide a robust supramolecular synthon in the solid state?","CrystEngComm","2010","12","10","2910","","10.1039/c000371a","","","0.71073","MoKα","","0.0259","0.0249","","","0.0662","0.067","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212440","5.1397","0.0001","10.6207","0.0001","24.9841","0.0005","90","","90","","90","","1363.81","0.04","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 N O5 S -","- C14 H13 N O5 S -","- C56 H52 N4 O20 S4 -","4","1","","Brondel, Nicolas; Moynihan, Eamonn J. A.; Lehane, K. Niamh; Eccles, Kevin S.; Elcoate, Curtis J.; Coles, Simon J.; Lawrence, Simon E.; Maguire, Anita R.","Does intermolecular SO⋯H‒C‒SO hydrogen bonding in sulfoxides and sulfones provide a robust supramolecular synthon in the solid state?","CrystEngComm","2010","12","10","2910","","10.1039/c000371a","","","0.71073","MoKα","","0.0302","0.028","","","0.0823","0.084","","","","","","1.207","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212441","13.691","0.003","12.8075","0.0013","7.9667","0.001","90","","93.45","0.013","90","","1394.4","0.4","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N O5 S -","- C14 H13 N O5 S -","- C56 H52 N4 O20 S4 -","4","1","","Brondel, Nicolas; Moynihan, Eamonn J. A.; Lehane, K. Niamh; Eccles, Kevin S.; Elcoate, Curtis J.; Coles, Simon J.; Lawrence, Simon E.; Maguire, Anita R.","Does intermolecular SO⋯H‒C‒SO hydrogen bonding in sulfoxides and sulfones provide a robust supramolecular synthon in the solid state?","CrystEngComm","2010","12","10","2910","","10.1039/c000371a","","","0.71073","MoKα","","0.0356","0.0294","","","0.0809","0.0836","","","","","","1.059","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212442","7.4697","0.0008","5.681","0.0007","14.0467","0.0016","90","","91.8","0.002","90","","595.78","0.12","100","2","100","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C14 H14 O2 S -","- C14 H14 O2 S -","- C28 H28 O4 S2 -","2","1","","Brondel, Nicolas; Moynihan, Eamonn J. A.; Lehane, K. Niamh; Eccles, Kevin S.; Elcoate, Curtis J.; Coles, Simon J.; Lawrence, Simon E.; Maguire, Anita R.","Does intermolecular SO⋯H‒C‒SO hydrogen bonding in sulfoxides and sulfones provide a robust supramolecular synthon in the solid state?","CrystEngComm","2010","12","10","2910","","10.1039/c000371a","","","0.71073","MoKα","","0.0399","0.0354","","","0.0786","0.081","","","","","","1.051","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212443","7.0952","0.0003","12.2671","0.0005","8.6368","0.0004","90","","94.274","0.002","90","","749.64","0.06","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H18 O4 S -","- C16 H18 O4 S -","- C32 H36 O8 S2 -","2","1","","Brondel, Nicolas; Moynihan, Eamonn J. A.; Lehane, K. Niamh; Eccles, Kevin S.; Elcoate, Curtis J.; Coles, Simon J.; Lawrence, Simon E.; Maguire, Anita R.","Does intermolecular SO⋯H‒C‒SO hydrogen bonding in sulfoxides and sulfones provide a robust supramolecular synthon in the solid state?","CrystEngComm","2010","12","10","2910","","10.1039/c000371a","","","0.71069","MoKα","","0.0405","0.0319","","","0.0783","0.081","","","","","","1.095","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212444","15.4234","0.0011","5.441","0.0004","8.1642","0.0005","90","","105.124","0.002","90","","661.4","0.08","180","2","180","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C15 H16 O3 S -","- C15 H16 O3 S -","- C30 H32 O6 S2 -","2","1","","Brondel, Nicolas; Moynihan, Eamonn J. A.; Lehane, K. Niamh; Eccles, Kevin S.; Elcoate, Curtis J.; Coles, Simon J.; Lawrence, Simon E.; Maguire, Anita R.","Does intermolecular SO⋯H‒C‒SO hydrogen bonding in sulfoxides and sulfones provide a robust supramolecular synthon in the solid state?","CrystEngComm","2010","12","10","2910","","10.1039/c000371a","","","0.71073","MoKα","","0.0376","0.0349","","","0.0904","0.0922","","","","","","1.045","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212445","8.1909","0.0009","5.4433","0.0005","24.948","0.002","90","","90","","90","","1112.32","0.18","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C13 H10 F2 O S -","- C13 H10 F2 O S -","- C52 H40 F8 O4 S4 -","4","1","","Brondel, Nicolas; Moynihan, Eamonn J. A.; Lehane, K. Niamh; Eccles, Kevin S.; Elcoate, Curtis J.; Coles, Simon J.; Lawrence, Simon E.; Maguire, Anita R.","Does intermolecular SO⋯H‒C‒SO hydrogen bonding in sulfoxides and sulfones provide a robust supramolecular synthon in the solid state?","CrystEngComm","2010","12","10","2910","","10.1039/c000371a","","","0.71073","MoKα","","0.0324","0.0312","","","0.0818","0.0827","","","","","","1.05","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212446","8.2638","0.0002","5.4277","0.0001","27.4202","0.0009","90","","90","","90","","1229.89","0.06","180","2","180","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C13 H11 Br O S -","- C13 H11 Br O S -","- C52 H44 Br4 O4 S4 -","4","1","","Brondel, Nicolas; Moynihan, Eamonn J. A.; Lehane, K. Niamh; Eccles, Kevin S.; Elcoate, Curtis J.; Coles, Simon J.; Lawrence, Simon E.; Maguire, Anita R.","Does intermolecular SO⋯H‒C‒SO hydrogen bonding in sulfoxides and sulfones provide a robust supramolecular synthon in the solid state?","CrystEngComm","2010","12","10","2910","","10.1039/c000371a","","","0.71073","MoKα","","0.0674","0.0539","","","0.1221","0.1312","","","","","","1.19","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212447","28.2961","0.0006","5.7506","0.0001","15.7264","0.0003","90","","112.159","0.001","90","","2369.99","0.08","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 O S -","- C14 H14 O S -","- C112 H112 O8 S8 -","8","1","","Brondel, Nicolas; Moynihan, Eamonn J. A.; Lehane, K. Niamh; Eccles, Kevin S.; Elcoate, Curtis J.; Coles, Simon J.; Lawrence, Simon E.; Maguire, Anita R.","Does intermolecular SO⋯H‒C‒SO hydrogen bonding in sulfoxides and sulfones provide a robust supramolecular synthon in the solid state?","CrystEngComm","2010","12","10","2910","","10.1039/c000371a","","","0.71073","MoKα","","0.0361","0.0311","","","0.0817","0.0846","","","","","","1.061","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212448","15.5607","0.0003","5.81098","0.00011","14.3987","0.0003","90","","107.865","0.001","90","","1239.19","0.04","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 F2 O S -","- C14 H12 F2 O S -","- C56 H48 F8 O4 S4 -","4","1","","Brondel, Nicolas; Moynihan, Eamonn J. A.; Lehane, K. Niamh; Eccles, Kevin S.; Elcoate, Curtis J.; Coles, Simon J.; Lawrence, Simon E.; Maguire, Anita R.","Does intermolecular SO⋯H‒C‒SO hydrogen bonding in sulfoxides and sulfones provide a robust supramolecular synthon in the solid state?","CrystEngComm","2010","12","10","2910","","10.1039/c000371a","","","1.54187","CuKα","","0.0425","0.0394","","","0.1062","0.1088","","","","","","1.051","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212449","8.5839","0.0006","5.5077","0.0003","15.7646","0.0011","90","","104.481","0.007","90","","721.63","0.08","123","2","123","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C16 H18 O3 S -","- C16 H18 O3 S -","- C32 H36 O6 S2 -","2","1","","Brondel, Nicolas; Moynihan, Eamonn J. A.; Lehane, K. Niamh; Eccles, Kevin S.; Elcoate, Curtis J.; Coles, Simon J.; Lawrence, Simon E.; Maguire, Anita R.","Does intermolecular SO⋯H‒C‒SO hydrogen bonding in sulfoxides and sulfones provide a robust supramolecular synthon in the solid state?","CrystEngComm","2010","12","10","2910","","10.1039/c000371a","","","1.54184","CuKα","","0.0327","0.0314","","","0.0828","0.0838","","","","","","1.063","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212450","13.5661","0.0005","5.7383","0.0002","15.7552","0.0007","90","","93.625","0.001","90","","1224.03","0.08","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 F2 O S -","- C14 H12 F2 O S -","- C56 H48 F8 O4 S4 -","4","1","","Brondel, Nicolas; Moynihan, Eamonn J. A.; Lehane, K. Niamh; Eccles, Kevin S.; Elcoate, Curtis J.; Coles, Simon J.; Lawrence, Simon E.; Maguire, Anita R.","Does intermolecular SO⋯H‒C‒SO hydrogen bonding in sulfoxides and sulfones provide a robust supramolecular synthon in the solid state?","CrystEngComm","2010","12","10","2910","","10.1039/c000371a","","","0.71069","MoKα","","0.0585","0.0418","","","0.1016","0.1113","","","","","","1.043","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212451","7.1117","0.0012","8.5497","0.0007","23.495","0.002","89.756","0.007","89.579","0.01","89.428","0.01","1428.4","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H18 O3 S -","- C16 H18 O3 S -","- C64 H72 O12 S4 -","4","2","","Brondel, Nicolas; Moynihan, Eamonn J. A.; Lehane, K. Niamh; Eccles, Kevin S.; Elcoate, Curtis J.; Coles, Simon J.; Lawrence, Simon E.; Maguire, Anita R.","Does intermolecular SO⋯H‒C‒SO hydrogen bonding in sulfoxides and sulfones provide a robust supramolecular synthon in the solid state?","CrystEngComm","2010","12","10","2910","","10.1039/c000371a","","","0.71073","MoKα","","0.0415","0.0364","","","0.0855","0.0876","","","","","","1.093","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212452","12.4822","0.0015","8.0394","0.0009","14.9907","0.0009","90","","90","","90","","1504.3","0.3","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C16 H18 O3 S -","- C16 H18 O3 S -","- C64 H72 O12 S4 -","4","1","","Brondel, Nicolas; Moynihan, Eamonn J. A.; Lehane, K. Niamh; Eccles, Kevin S.; Elcoate, Curtis J.; Coles, Simon J.; Lawrence, Simon E.; Maguire, Anita R.","Does intermolecular SO⋯H‒C‒SO hydrogen bonding in sulfoxides and sulfones provide a robust supramolecular synthon in the solid state?","CrystEngComm","2010","12","10","2910","","10.1039/c000371a","","","0.7107","MoKα","","0.1368","0.0522","","","0.1099","0.132","","","","","","1.032","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212453","9.1481","0.001","9.4793","0.001","11.1701","0.0012","95.729","0.002","92.402","0.002","99.879","0.002","947.79","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 N4 Ni O5 -","- C18 H20 N4 Ni O5 -","- C36 H40 N8 Ni2 O10 -","2","1","","Chen, Shui-Sheng; Bai, Zheng-Shuai; Fan, Jian; Lv, Gao-Chao; Su, Zhi; Chen, Man-Sheng; Sun, Wei-Yin","Synthesis and characterization of metal complexes with a mixed 4-imidazole-containing ligand and a variety of multi-carboxylic acids","CrystEngComm","2010","12","10","3091","","10.1039/c000373e","","","0.71073","MoKα","","0.0391","0.0371","","","0.0959","0.0975","","","","","","1.002","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212454","9.296","0.002","18.603","0.005","14.049","0.003","90","","129.493","0.01","90","","1874.9","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Co N4 O5 -","- C18 H18 Co N4 O5 -","- C72 H72 Co4 N16 O20 -","4","1","","Chen, Shui-Sheng; Bai, Zheng-Shuai; Fan, Jian; Lv, Gao-Chao; Su, Zhi; Chen, Man-Sheng; Sun, Wei-Yin","Synthesis and characterization of metal complexes with a mixed 4-imidazole-containing ligand and a variety of multi-carboxylic acids","CrystEngComm","2010","12","10","3091","","10.1039/c000373e","","","0.71075","MoKα","","0.0621","0.0497","","","0.1178","0.1246","","","","","","1.1","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212455","10.0234","0.0016","11.8495","0.0019","12.21","0.002","110.104","0.003","107.98","0.002","95.921","0.003","1259.3","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H26 Cd2 N4 O8 -","- C24 H26 Cd2 N4 O8 -","- C48 H52 Cd4 N8 O16 -","2","1","","Chen, Shui-Sheng; Bai, Zheng-Shuai; Fan, Jian; Lv, Gao-Chao; Su, Zhi; Chen, Man-Sheng; Sun, Wei-Yin","Synthesis and characterization of metal complexes with a mixed 4-imidazole-containing ligand and a variety of multi-carboxylic acids","CrystEngComm","2010","12","10","3091","","10.1039/c000373e","","","0.71073","MoKα","","0.0358","0.0342","","","0.1001","0.1018","","","","","","1.043","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212456","10.563","0.002","22.256","0.005","10.562","0.002","90","","95.04","0.008","90","","2473.4","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 N4 Ni O6 -","- C26 H18 N4 Ni O6 -","- C104 H72 N16 Ni4 O24 -","4","1","","Chen, Shui-Sheng; Bai, Zheng-Shuai; Fan, Jian; Lv, Gao-Chao; Su, Zhi; Chen, Man-Sheng; Sun, Wei-Yin","Synthesis and characterization of metal complexes with a mixed 4-imidazole-containing ligand and a variety of multi-carboxylic acids","CrystEngComm","2010","12","10","3091","","10.1039/c000373e","","","0.71073","MoKα","","0.0689","0.0566","","","0.1524","0.1588","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212457","10.654","0.005","10.711","0.005","11.681","0.005","110.143","0.007","102.356","0.007","109.812","0.007","1091.7","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 Co N4 O5 -","- C22 H20 Co N4 O5 -","- C44 H40 Co2 N8 O10 -","2","1","","Chen, Shui-Sheng; Bai, Zheng-Shuai; Fan, Jian; Lv, Gao-Chao; Su, Zhi; Chen, Man-Sheng; Sun, Wei-Yin","Synthesis and characterization of metal complexes with a mixed 4-imidazole-containing ligand and a variety of multi-carboxylic acids","CrystEngComm","2010","12","10","3091","","10.1039/c000373e","","","0.71073","MoKα","","0.0492","0.0402","","","0.0775","0.0802","","","","","","1","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212458","9.2547","0.0012","10.1947","0.0014","12.9233","0.0017","98.955","0.003","93.424","0.003","104.368","0.002","1160.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H42 Mn3 N8 O14 -","- C48 H42 Mn3 N8 O14 -","- C48 H42 Mn3 N8 O14 -","1","0.5","","Chen, Shui-Sheng; Bai, Zheng-Shuai; Fan, Jian; Lv, Gao-Chao; Su, Zhi; Chen, Man-Sheng; Sun, Wei-Yin","Synthesis and characterization of metal complexes with a mixed 4-imidazole-containing ligand and a variety of multi-carboxylic acids","CrystEngComm","2010","12","10","3091","","10.1039/c000373e","","","0.71073","MoKα","","0.0671","0.0453","","","0.0965","0.1166","","","","","","0.992","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212459","7.7489","0.0015","28.027","0.006","3.8702","0.0008","90","","90","","90","","840.5","0.3","173","2","173","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","(malonic acid).(isonicotinic acid hydrazide)2","(malonic acid).(isonicotinic acid hydrazide)2","","- C15 H18 N6 O6 -","- C15 H18 N6 O6 -","- C30 H36 N12 O12 -","2","0.5","","Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker","One-pot covalent and supramolecular synthesis of pharmaceutical co-crystals using the API isoniazid: a potential supramolecular reagent","CrystEngComm","2010","12","10","2856","","10.1039/c000473a","","","0.71073","MoKα","","0.0388","0.0342","","","0.0841","0.0854","","","","","","1.052","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212460","6.9976","0.0004","19.5601","0.001","7.1495","0.0005","90","","114.892","0.008","90","","887.67","0.11","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(succinic acid).(isonicotinic acid hydrazide)2","(succinic acid).(isonicotinic acid hydrazide)2","","- C8 H10 N3 O3 -","- C8 H10 N3 O3 -","- C32 H40 N12 O12 -","4","1","","Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker","One-pot covalent and supramolecular synthesis of pharmaceutical co-crystals using the API isoniazid: a potential supramolecular reagent","CrystEngComm","2010","12","10","2856","","10.1039/c000473a","","","0.71073","MoKα","","0.0419","0.0335","","","0.0854","0.0888","","","","","","1.03","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212461","5.0641","0.0005","8.1495","0.001","16.3114","0.0017","76.668","0.01","81.845","0.008","73.046","0.01","624.54","0.12","173","2","173","2","","","","","","","","4","P -1","-P 1","2","(glutaric acid).(isonicotinic acid hydrazide)","(glutaric acid).(isonicotinic acid hydrazide)","","- C11 H15 N3 O5 -","- C11 H15 N3 O5 -","- C22 H30 N6 O10 -","2","1","","Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker","One-pot covalent and supramolecular synthesis of pharmaceutical co-crystals using the API isoniazid: a potential supramolecular reagent","CrystEngComm","2010","12","10","2856","","10.1039/c000473a","","","0.71073","MoKα","","0.0579","0.0385","","","0.0778","0.0825","","","","","","0.962","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212462","6.3361","0.0004","3.8795","0.0002","39.723","0.002","90","","90.122","0.005","90","","976.42","0.09","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(adipic acid).(isonicotinic acid hydrazide)2","(adipic acid).(isonicotinic acid hydrazide)2","","- C18 H24 N6 O6 -","- C18 H24 N6 O6 -","- C36 H48 N12 O12 -","2","0.5","","Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker","One-pot covalent and supramolecular synthesis of pharmaceutical co-crystals using the API isoniazid: a potential supramolecular reagent","CrystEngComm","2010","12","10","2856","","10.1039/c000473a","","","1.5418","CuKα","","0.0389","0.0358","","","0.1079","0.1105","","","","","","1.055","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212463","5.1055","0.0005","7.4175","0.0006","19.3653","0.0015","94.328","0.006","93.12","0.006","103.66","0.007","708.61","0.11","173","2","173","2","","","","","","","","4","P -1","-P 1","2","(pimelic acid).(isonicotinic acid hydrazide)","(pimelic acid).(isonicotinic acid hydrazide)","","- C13 H19 N3 O5 -","- C13 H19 N3 O5 -","- C26 H38 N6 O10 -","2","1","","Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker","One-pot covalent and supramolecular synthesis of pharmaceutical co-crystals using the API isoniazid: a potential supramolecular reagent","CrystEngComm","2010","12","10","2856","","10.1039/c000473a","","","0.71073","MoKα","","0.0489","0.0349","","","0.0848","0.0878","","","","","","1.055","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212464","12.9083","0.0005","4.9898","0.0001","20.3294","0.0009","90","","91.85","0.004","90","","1308.73","0.08","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(4-hydroxybenzoic acid).(isonicotinic acid hydrazide)","(4-hydroxybenzoic acid).(isonicotinic acid hydrazide)","","- C13 H13 N3 O4 -","- C13 H13 N3 O4 -","- C52 H52 N12 O16 -","4","1","","Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker","One-pot covalent and supramolecular synthesis of pharmaceutical co-crystals using the API isoniazid: a potential supramolecular reagent","CrystEngComm","2010","12","10","2856","","10.1039/c000473a","","","0.71073","MoKα","","0.0409","0.0317","","","0.0776","0.0802","","","","","","1.067","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212465","8.1931","0.0004","5.0698","0.0002","30.2815","0.0013","90","","94.923","0.004","90","","1253.17","0.1","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(2,4-dihydroxybenzoic acid).(isonicotinic acid hydrazide)","(2,4-dihydroxybenzoic acid).(isonicotinic acid hydrazide)","","- C13 H13 N3 O5 -","- C13 H13 N3 O5 -","- C52 H52 N12 O20 -","4","1","","Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker","One-pot covalent and supramolecular synthesis of pharmaceutical co-crystals using the API isoniazid: a potential supramolecular reagent","CrystEngComm","2010","12","10","2856","","10.1039/c000473a","","","0.71073","MoKα","","0.047","0.0348","","","0.0828","0.0863","","","","","","1.051","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212466","19.8053","0.0008","8.4686","0.0004","10.0248","0.0004","90","","99.567","0.004","90","","1658.01","0.12","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(3-hydroxybenzoic acid).((Z)-N'-(butan-2- ylidene)isonicotinohydrazide)","(3-hydroxybenzoic acid).((Z)-N'-(butan-2-ylidene)isonicotinohydrazide)","","- C17 H19 N3 O4 -","- C17 H19 N3 O4 -","- C68 H76 N12 O16 -","4","1","","Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker","One-pot covalent and supramolecular synthesis of pharmaceutical co-crystals using the API isoniazid: a potential supramolecular reagent","CrystEngComm","2010","12","10","2856","","10.1039/c000473a","","","1.5418","CuKα","","0.0875","0.08","","","0.1874","0.1981","","","","","","0.882","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212467","8.652","0.0003","20.818","0.0008","8.785","0.0004","90","","101.679","0.004","90","","1549.57","0.11","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(3-hydroxybenzoic acid).(N'-(propan-2- ylidene)isonicotinohydrazide)","(3-hydroxybenzoic acid).(N'-(propan-2-ylidene)isonicotinohydrazide)","","- C16 H17 N3 O4 -","- C16 H17 N3 O4 -","- C64 H68 N12 O16 -","4","1","","Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker","One-pot covalent and supramolecular synthesis of pharmaceutical co-crystals using the API isoniazid: a potential supramolecular reagent","CrystEngComm","2010","12","10","2856","","10.1039/c000473a","","","0.71073","MoKα","","0.0632","0.0406","","","0.0819","0.0867","","","","","","0.95","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212468","8.6159","0.0013","13.762","0.002","9.6961","0.0014","90","","111.258","0.002","90","","1071.5","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","zinc sulfate","","","- C4 H12 N2 O8 S2 Zn -","- C4 H12 N2 O8 S2 Zn -","- C16 H48 N8 O32 S8 Zn4 -","4","2","","Guo, Dong-Wei; Yao, Shi-Yan; Zhang, Gao; Tian, Yun-Qi","Chiral frameworks of ammonium zinc(ii) sulfate synthesized using an achiral template","CrystEngComm","2010","12","10","2989","","10.1039/c000475h","","","0.71073","MoKα","","0.0925","0.0543","","","0.0864","0.1005","","","","","","1.01","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212469","9.9945","0.0003","9.9945","0.0003","9.9945","0.0003","90","","90","","90","","998.35","0.05","293","2","293","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","zinc sulfate","","","- H8 N2 O12 S3 Zn2 -","- H8 N2 O12 S3 Zn2 -","- H32 N8 O48 S12 Zn8 -","4","0.333333","","Guo, Dong-Wei; Yao, Shi-Yan; Zhang, Gao; Tian, Yun-Qi","Chiral frameworks of ammonium zinc(ii) sulfate synthesized using an achiral template","CrystEngComm","2010","12","10","2989","","10.1039/c000475h","","","0.71073","MoKα","","0.0197","0.0182","","","0.0445","0.0448","","","","","","1.188","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212470","6.8592","0.0009","8.975","0.0011","13.721","0.0017","90","","90","","90","","844.68","0.18","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","zinc sulfate","","","- H8 N2 O8 S2 Zn -","- H8 N2 O8 S2 Zn -","- H32 N8 O32 S8 Zn4 -","4","1","","Guo, Dong-Wei; Yao, Shi-Yan; Zhang, Gao; Tian, Yun-Qi","Chiral frameworks of ammonium zinc(ii) sulfate synthesized using an achiral template","CrystEngComm","2010","12","10","2989","","10.1039/c000475h","","","0.71073","MoKα","","0.0363","0.029","","","0.056","0.0593","","","","","","0.994","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212471","14.7508","0.0008","17.847","0.001","22.1096","0.0009","100.112","0.005","102.224","0.004","97.19","0.005","5519.9","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C162 H241 Gd N2 O83 P4 S8 -","- C162 H139 Gd N2 O83 P4 S8 -","- C162 H139 Gd N2 O83 P4 S8 -","1","0.5","","Ling, Irene; Alias, Yatimah; Sobolev, Alexandre N.; Raston, Colin L.","Lanthanoid assisted self-assembly of imidazolium cations in organic bi-layers","CrystEngComm","2010","12","6","1869","","10.1039/c000487c","","","0.71073","MoKα","","0.2676","0.1569","","","0.3047","0.356","","","","","","1.003","","","","has coordinates,has disorder","180455","2020-10-21","18:00:00",""
"7212472","12.7621","0.0004","15.4557","0.0005","19.2632","0.0006","106.004","0.003","93.474","0.003","112.632","0.003","3311.1","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C112 H152 Gd2 N4 O59 P2 S8 -","- C112 H152 Gd2 N4 O59 P2 S8 -","- C112 H152 Gd2 N4 O59 P2 S8 -","1","0.5","","Ling, Irene; Alias, Yatimah; Sobolev, Alexandre N.; Raston, Colin L.","Lanthanoid assisted self-assembly of imidazolium cations in organic bi-layers","CrystEngComm","2010","12","6","1869","","10.1039/c000487c","","","0.71073","MoKα","","0.0723","0.0501","","","0.1436","0.1571","","","","","","1.001","","","","has coordinates,has disorder","180455","2020-10-21","18:00:00",""
"7212473","14.7749","0.0002","17.8871","0.0004","21.7909","0.0005","100.797","0.002","100.493","0.002","97.627","0.002","5478.7","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C164 H231 Gd N2 O76 P4 S8 -","- C164 H143 Gd N2 O76 P4 S8 -","- C164 H143 Gd N2 O76 P4 S8 -","1","0.5","","Ling, Irene; Alias, Yatimah; Sobolev, Alexandre N.; Raston, Colin L.","Lanthanoid assisted self-assembly of imidazolium cations in organic bi-layers","CrystEngComm","2010","12","6","1869","","10.1039/c000487c","","","1.54178","CuKα","","0.1487","0.1142","","","0.2475","0.2646","","","","","","1.009","","","","has coordinates,has disorder","180455","2020-10-21","18:00:00",""
"7212474","12.8192","0.0001","18.6718","0.0003","28.87","0.0004","100.278","0.001","99.635","0.001","98.348","0.001","6593.41","0.15","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C114.5 H145 Gd2 N2 O55 P2 S8 -","- C114.5 H145 Gd2 N2 O55 P2 S8 -","- C229 H290 Gd4 N4 O110 P4 S16 -","2","1","","Ling, Irene; Alias, Yatimah; Sobolev, Alexandre N.; Raston, Colin L.","Lanthanoid assisted self-assembly of imidazolium cations in organic bi-layers","CrystEngComm","2010","12","6","1869","","10.1039/c000487c","","","0.71073","MoKα","","0.1138","0.0869","","","0.2271","0.2419","","","","","","1.005","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7212475","10.2745","0.0007","10.1246","0.0007","14.8789","0.001","90","","98.865","0.002","90","","1529.29","0.18","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Theoph methyl gal cocrystal","","","- C15 H16 N4 O7 -","- C15 H16 N4 O7 -","- C60 H64 N16 O28 -","4","1","","Chattoraj, Sayantan; Shi, Limin; Sun, Changquan Calvin","Understanding the relationship between crystal structure, plasticity and compaction behaviour of theophylline, methyl gallate, and their 1 : 1 co-crystal","CrystEngComm","2010","12","8","2466","","10.1039/c000614a","","","0.71073","MoKα","","0.0954","0.0604","","","0.1579","0.1855","","","","","","1","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212476","7.6798","0.0012","9.9854","0.0015","10.5949","0.0016","90","","96.005","0.002","90","","808","0.2","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","methylgallate","","","- C8 H8 O5 -","- C8 H8 O5 -","- C32 H32 O20 -","4","1","","Chattoraj, Sayantan; Shi, Limin; Sun, Changquan Calvin","Understanding the relationship between crystal structure, plasticity and compaction behaviour of theophylline, methyl gallate, and their 1 : 1 co-crystal","CrystEngComm","2010","12","8","2466","","10.1039/c000614a","","","0.71073","MoKα","","0.0621","0.0469","","","0.1255","0.138","","","","","","1.085","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212477","14.7198","0.0016","7.7386","0.0017","23.1799","0.0009","90","","106.385","0.003","90","","2533.2","0.6","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","ADACID","","","- C14 H20 O4 -","- C14 H20 O4 -","- C112 H160 O32 -","8","2","","Pachfule, Pradip; Panda, Tamas; Dey, Chandan; Banerjee, Rahul","Structural diversity in a series of metal‒organic frameworks (MOFs) composed of divalent transition metals, 4,4′-bipyridine and a flexible carboxylic acid","CrystEngComm","2010","12","8","2381","","10.1039/c000723d","","","0.71073","MoKα","","0.0802","0.0614","","","0.154","0.1668","","","","","","1.067","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212478","8.924","0.005","10.297","0.005","15.62","0.008","71.631","0.008","89.933","0.008","75.659","0.008","1315.1","1.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","Cd-ADA-1","","","- C27 H33 Cd N3 O5 -","- C27 H33 Cd N3 O5 -","- C54 H66 Cd2 N6 O10 -","2","1","","Pachfule, Pradip; Panda, Tamas; Dey, Chandan; Banerjee, Rahul","Structural diversity in a series of metal‒organic frameworks (MOFs) composed of divalent transition metals, 4,4′-bipyridine and a flexible carboxylic acid","CrystEngComm","2010","12","8","2381","","10.1039/c000723d","","","0.71073","MoKα","","0.0716","0.0607","","","0.1505","0.1618","","","","","","1.067","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212479","8.8816","0.0016","10.2469","0.0018","15.551","0.003","71.53","0.003","89.774","0.003","74.903","0.003","1291.3","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H33 Mn N3 O5 -","- C27 H33 Mn N3 O5 -","- C54 H66 Mn2 N6 O10 -","2","1","","Pachfule, Pradip; Panda, Tamas; Dey, Chandan; Banerjee, Rahul","Structural diversity in a series of metal‒organic frameworks (MOFs) composed of divalent transition metals, 4,4′-bipyridine and a flexible carboxylic acid","CrystEngComm","2010","12","8","2381","","10.1039/c000723d","","","0.71073","MoKα","","0.0932","0.0552","","","0.1111","0.134","","","","","","0.948","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212480","23.495","0.002","11.6667","0.001","13.2885","0.0012","90","","94.286","0.002","90","","3632.3","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Mn-ADA-2","","","- C38 H50 Mn N2 O10 -","- C38 H50 Mn N2 O10 -","- C152 H200 Mn4 N8 O40 -","4","0.5","","Pachfule, Pradip; Panda, Tamas; Dey, Chandan; Banerjee, Rahul","Structural diversity in a series of metal‒organic frameworks (MOFs) composed of divalent transition metals, 4,4′-bipyridine and a flexible carboxylic acid","CrystEngComm","2010","12","8","2381","","10.1039/c000723d","","","0.71073","MoKα","","0.0786","0.0526","","","0.1032","0.1139","","","","","","0.945","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212481","22.587","0.004","14.078","0.003","11.24","0.002","90","","113.424","0.007","90","","3279.5","1.1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H22 N O4 Zn -","- C19 H22 N O4 Zn -","- C152 H176 N8 O32 Zn8 -","8","1","","Pachfule, Pradip; Panda, Tamas; Dey, Chandan; Banerjee, Rahul","Structural diversity in a series of metal‒organic frameworks (MOFs) composed of divalent transition metals, 4,4′-bipyridine and a flexible carboxylic acid","CrystEngComm","2010","12","8","2381","","10.1039/c000723d","","","0.71073","MoKα","","0.0374","0.0334","","","0.0915","0.0934","","","","","","1.061","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212482","7.7056","0.0015","11.588","0.002","17.604","0.004","90","","102.37","0.03","90","","1535.4","0.6","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H17 N O4 Zn -","- C15 H17 N O4 Zn -","- C60 H68 N4 O16 Zn4 -","4","2","","Luo, Feng; Ning, Yang; Luo, Ming-biao; Huang, Guo-lin","Chiral or achiral camphorate-based complexes controlled by the conformational rigidity of N-donor co-ligands","CrystEngComm","2010","12","10","2769","","10.1039/c000734j","","","0.71073","MoKα","","0.1068","0.076","","","0.1744","0.1943","","","","","","1.027","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212483","21.073","0.004","21.073","0.004","6.9309","0.0014","90","","90","","90","","3077.8","1","296","2","296","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C30 H42 Cu N2 O10 -","- C30 H42 Cu N2 O10 -","- C120 H168 Cu4 N8 O40 -","4","0.5","","Luo, Feng; Ning, Yang; Luo, Ming-biao; Huang, Guo-lin","Chiral or achiral camphorate-based complexes controlled by the conformational rigidity of N-donor co-ligands","CrystEngComm","2010","12","10","2769","","10.1039/c000734j","","","0.71073","MoKα","","0.035","0.0333","","","0.0714","0.0722","","","","","","1.06","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212484","9.0548","0.0018","9.1122","0.0018","11.912","0.002","107.17","0.03","104.62","0.03","93.42","0.03","899","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H34 N6 O8 Zn3 -","- C32 H34 N6 O8 Zn3 -","- C32 H34 N6 O8 Zn3 -","1","0.5","","Luo, Feng; Ning, Yang; Luo, Ming-biao; Huang, Guo-lin","Chiral or achiral camphorate-based complexes controlled by the conformational rigidity of N-donor co-ligands","CrystEngComm","2010","12","10","2769","","10.1039/c000734j","","","0.71073","MoKα","","0.1131","0.0731","","","0.1797","0.207","","","","","","1.048","","","","has coordinates,has disorder","180455","2020-10-21","18:00:00",""
"7212485","9.0109","0.0018","9.0814","0.0018","11.788","0.002","106.73","0.03","103.76","0.03","95.01","0.03","884.6","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H34 Co3 N6 O8 -","- C32 H34 Co3 N6 O8 -","- C32 H34 Co3 N6 O8 -","1","0.5","","Luo, Feng; Ning, Yang; Luo, Ming-biao; Huang, Guo-lin","Chiral or achiral camphorate-based complexes controlled by the conformational rigidity of N-donor co-ligands","CrystEngComm","2010","12","10","2769","","10.1039/c000734j","","","0.71073","MoKα","","0.115","0.07","","","0.1756","0.1978","","","","","","1.094","","","","has coordinates,has disorder","180455","2020-10-21","18:00:00",""
"7212486","6.9446","0.0019","7.0471","0.0019","30.246","0.008","90","","90","","90","","1480.2","0.7","99","2","99","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","ammonium benzoate","","","- C7 H9 N O2 -","- C7 H9 N O2 -","- C56 H72 N8 O16 -","8","1","","Odendal, James A.; Bruce, Jocelyn C.; Koch, Klaus R.; Haynes, Delia A.","Packing motifs in organic ammonium carboxylate salts: extension of the ring-stacking and ring-laddering concepts","CrystEngComm","2010","12","8","2398","","10.1039/c000922a","","","0.71073","MoKα","","0.0518","0.0404","","","0.1291","0.1485","","","","","","1.089","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212487","14.529","0.012","5.882","0.005","17.727","0.015","90","","101.346","0.012","90","","1485","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","propylammonium diphenylacetate","","","- C17 H21 N O2 -","- C17 H21 N O2 -","- C68 H84 N4 O8 -","4","1","","Odendal, James A.; Bruce, Jocelyn C.; Koch, Klaus R.; Haynes, Delia A.","Packing motifs in organic ammonium carboxylate salts: extension of the ring-stacking and ring-laddering concepts","CrystEngComm","2010","12","8","2398","","10.1039/c000922a","","","0.71073","MoKα","","0.0634","0.0426","","","0.0939","0.1057","","","","","","1.037","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212488","16.064","0.003","6.4139","0.0013","17.668","0.004","90","","91.84","0.03","90","","1819.4","0.6","100","2","100","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","cyclohexylammonium acetate","","","- C8 H17 N O2 -","- C8 H17 N O2 -","- C64 H136 N8 O16 -","8","1","","Odendal, James A.; Bruce, Jocelyn C.; Koch, Klaus R.; Haynes, Delia A.","Packing motifs in organic ammonium carboxylate salts: extension of the ring-stacking and ring-laddering concepts","CrystEngComm","2010","12","8","2398","","10.1039/c000922a","","","0.71073","MoKα","","0.0372","0.0345","","","0.0928","0.0956","","","","","","1.074","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212489","6.4832","0.0007","21.423","0.002","45.021","0.005","90","","90","","90","","6252.9","1.1","101","2","101","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","cyclohexylammonium benzoate","","","- C13 H19 N O2 -","- C13 H19 N O2 -","- C260 H380 N20 O40 -","20","5","","Odendal, James A.; Bruce, Jocelyn C.; Koch, Klaus R.; Haynes, Delia A.","Packing motifs in organic ammonium carboxylate salts: extension of the ring-stacking and ring-laddering concepts","CrystEngComm","2010","12","8","2398","","10.1039/c000922a","","","0.71073","MoKα","","0.04","0.0373","","","0.1307","0.139","","","","","","0.848","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212490","6.5265","0.0004","18.416","0.0011","14.9966","0.0009","90","","93.518","0.001","90","","1799.08","0.19","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","anilinium benoate benzoic acid","","","- C20 H19 N O4 -","- C20 H19 N O4 -","- C80 H76 N4 O16 -","4","1","","Odendal, James A.; Bruce, Jocelyn C.; Koch, Klaus R.; Haynes, Delia A.","Packing motifs in organic ammonium carboxylate salts: extension of the ring-stacking and ring-laddering concepts","CrystEngComm","2010","12","8","2398","","10.1039/c000922a","","","0.71073","MoKα","","0.0659","0.0491","","","0.2081","0.3052","","","","","","0.715","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212491","8.5689","0.0015","11.0491","0.0019","17.529","0.003","90","","90","","90","","1659.6","0.5","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","benzylammonium formate","","","- C8 H11 N O2 -","- C8 H11 N O2 -","- C64 H88 N8 O16 -","8","1","","Odendal, James A.; Bruce, Jocelyn C.; Koch, Klaus R.; Haynes, Delia A.","Packing motifs in organic ammonium carboxylate salts: extension of the ring-stacking and ring-laddering concepts","CrystEngComm","2010","12","8","2398","","10.1039/c000922a","","","0.71073","MoKα","","0.0318","0.0294","","","0.0807","0.083","","","","","","1.04","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212492","12.7338","0.0008","7.9987","0.0005","17.5766","0.0011","90","","93.073","0.001","90","","1787.67","0.19","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","benzylammonium acetate","","","- C9 H13 N O2 -","- C9 H13 N O2 -","- C72 H104 N8 O16 -","8","2","","Odendal, James A.; Bruce, Jocelyn C.; Koch, Klaus R.; Haynes, Delia A.","Packing motifs in organic ammonium carboxylate salts: extension of the ring-stacking and ring-laddering concepts","CrystEngComm","2010","12","8","2398","","10.1039/c000922a","","","0.71073","MoKα","","0.0462","0.0363","","","0.0966","0.1025","","","","","","1.075","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212493","12.0457","0.0003","5.8896","0.0001","15.869","0.0004","90","","102.077","0.001","90","","1100.9","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","benzylammonium proprionate hydrate","","","- C10 H17 N O3 -","- C10 H17 N O3 -","- C40 H68 N4 O12 -","4","1","","Odendal, James A.; Bruce, Jocelyn C.; Koch, Klaus R.; Haynes, Delia A.","Packing motifs in organic ammonium carboxylate salts: extension of the ring-stacking and ring-laddering concepts","CrystEngComm","2010","12","8","2398","","10.1039/c000922a","","","0.71073","MoKα","","0.0409","0.0381","","","0.1039","0.1072","","","","","","1.028","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212494","28.1285","0.0003","10.8367","0.0001","9.7154","0.0001","90","","97.1","0.001","90","","2938.74","0.05","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","phenylethylammonium diphenylacetate diphenylacetic acid","","","- C36 H35 N O4 -","- C36 H35 N O4 -","- C144 H140 N4 O16 -","4","1","","Odendal, James A.; Bruce, Jocelyn C.; Koch, Klaus R.; Haynes, Delia A.","Packing motifs in organic ammonium carboxylate salts: extension of the ring-stacking and ring-laddering concepts","CrystEngComm","2010","12","8","2398","","10.1039/c000922a","","","0.71073","MoKα","","0.0527","0.0375","","","0.0889","0.0982","","","","","","1.029","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212495","14.427","0.0017","14.427","0.0017","10.0102","0.0015","90","","90","","120","","1804.4","0.4","293","","293","","","","","","","","","4","P 61","P 61","169","L-alanyl-L-valine","L-alanyl-L-valine","","- C8 H16 N2 O3 -","- C8 H16 N2 O3 -","- C48 H96 N12 O18 -","6","1","","Moggach, Stephen A.; Görbitz, Carl Henrik; Warren, John E.","The effect of pressure on the porous peptide l-alanyl-l-valine","CrystEngComm","2010","12","8","2322","","10.1039/c000942c","","","0.71073","MoKα","","0.1111","0.0648","","0.2188","0.1665","0.2188","","","","","","0.9999","","","","has coordinates","288252","2023-12-12","14:26:25",""
"7212496","13.9836","0.0019","13.9836","0.0019","9.9229","0.0015","90","","90","","120","","1680.4","0.4","293","","293","","","","","","","","","4","P 61","P 61","169","L-alanyl-L-valine","L-alanyl-L-valine","","- C8 H16 N2 O3 -","- C8 H16 N2 O3 -","- C48 H96 N12 O18 -","6","1","","Moggach, Stephen A.; Görbitz, Carl Henrik; Warren, John E.","The effect of pressure on the porous peptide l-alanyl-l-valine","CrystEngComm","2010","12","8","2322","","10.1039/c000942c","","","0.4872","synchrotron","","0.1276","0.0615","","0.1712","0.1376","0.1712","","","","","","1.0131","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212498","9.49","0.009","16.85","0.02","31.68","0.03","95.77","0.05","98.07","0.05","99.45","0.05","4908","9","150","","150","","","","","","","","Trichoderma Viride","4","P 1","P 1","1","","","","- C158 H275 N41 O45.5 -","- C158 H275 N41 O45.5 -","- C158 H275 N41 O45.5 -","1","1","","Dittrich, Birger; Bond, Charles S.; Kalinowski, Roman; Spackman, M. A.; Jayatilaka, Dylan","Revised electrostatics from invariom refinement of the 18-residue peptaibol antibiotic trichotoxin A50E","CrystEngComm","2010","12","8","2419","","10.1039/c001072c","","","0.6883","","","0.0711","0.046","","","","0.0539","","","","","","3.3171","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212499","16.561","0.003","12.656","0.003","17.176","0.003","90","","113.54","0.03","90","","3300.4","1.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H42 Co N4 O2 -","- C38 H43 Co N4 O2 -","- C152 H172 Co4 N16 O8 -","4","2","","Li, Gao; Xi, Xiaobing; Xuan, Weimin; Dong, Taiwei; Cui, Yong","Homochiral helical coordination polymers of metallosalen complexes with tunable pitches","CrystEngComm","2010","12","8","2424","","10.1039/c001121e","","","0.71073","MoKα","","0.1186","0.0676","","","0.1525","0.1825","","","","","","0.959","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212500","15.312","0.007","12.191","0.005","18.927","0.008","90","","96.983","0.007","90","","3507","3","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H43 Mn N4 O4 -","- C39 H42 Mn N4 O4 -","- C156 H168 Mn4 N16 O16 -","4","2","","Li, Gao; Xi, Xiaobing; Xuan, Weimin; Dong, Taiwei; Cui, Yong","Homochiral helical coordination polymers of metallosalen complexes with tunable pitches","CrystEngComm","2010","12","8","2424","","10.1039/c001121e","","","0.71073","MoKα","","0.1303","0.0867","","","0.1964","0.2325","","","","","","0.986","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212501","11.564","0.002","18.821","0.004","17.117","0.003","90","","100.68","0.03","90","","3660.9","1.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C76 H88 N8 Ni2 O6 -","- C76 H84 N8 Ni2 O6 -","- C152 H168 N16 Ni4 O12 -","2","1","","Li, Gao; Xi, Xiaobing; Xuan, Weimin; Dong, Taiwei; Cui, Yong","Homochiral helical coordination polymers of metallosalen complexes with tunable pitches","CrystEngComm","2010","12","8","2424","","10.1039/c001121e","","","0.71073","MoKα","","0.0915","0.0553","","","0.1249","0.1414","","","","","","1.021","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212502","9.7901","0.0011","10.4305","0.0012","32.683","0.004","90","","97.74","0.001","90","","3307","0.7","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H42 N4 O2 Zn -","- C38 H42 N4 O2 Zn -","- C152 H168 N16 O8 Zn4 -","4","2","","Li, Gao; Xi, Xiaobing; Xuan, Weimin; Dong, Taiwei; Cui, Yong","Homochiral helical coordination polymers of metallosalen complexes with tunable pitches","CrystEngComm","2010","12","8","2424","","10.1039/c001121e","","","0.71073","MoKα","","0.0733","0.0433","","","0.0847","0.0964","","","","","","0.959","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212503","15.3128","0.0006","16.0078","0.0009","16.1656","0.0008","113.203","0.005","100.27","0.004","95.062","0.004","3528.3","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","bis(mu-dithioisopentanoato)digold(I)","bis(mu-dithioisopentanoato)digold(I)","","- C10 H18 Au2 S4 -","- C10 H18 Au2 S4 -","- C90 H162 Au18 S36 -","9","4.5","","Gallego, M. Luz; Guijarro, Alejandro; Castillo, Oscar; Parella, Teodor; Mas-Balleste, Ruben; Zamora, Felix","Nuclearity control in gold dithiocarboxylato compounds","CrystEngComm","2010","12","8","2332","","10.1039/c001150a","","","0.71069","MoKα","","0.0832","0.0454","","","0.1011","0.1069","","","","","","1.036","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212504","9.2796","0.0005","15.4914","0.0009","18.8044","0.0011","85.919","0.005","81.923","0.004","87.427","0.004","2667.9","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","catena-((mu-dithioisopentanoato)gold(I)) bis(mu-dithioisopentanoato)digold(I)","catena-((mu-dithioisopentanoato)gold(I)) bis(mu-dithioisopentanoato)digold(I)","","- C35 H63 Au7 S14 -","- C35 H63 Au7 S14 -","- C70 H126 Au14 S28 -","2","1","","Gallego, M. Luz; Guijarro, Alejandro; Castillo, Oscar; Parella, Teodor; Mas-Balleste, Ruben; Zamora, Felix","Nuclearity control in gold dithiocarboxylato compounds","CrystEngComm","2010","12","8","2332","","10.1039/c001150a","","","0.71069","MoKα","","0.0802","0.0385","","","0.0686","0.0727","","","","","","0.806","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212505","3.8432","0.0008","10.964","0.002","9.778","0.002","90","","91.13","0.03","90","","411.93","0.14","295","2","295","2","","","270000","","","","","3","P 1 21/n 1","-P 2yn","14","pyridazine","pyridazine","","- C4 H4 N2 -","- C4 H4 N2 -","- C16 H16 N8 -","4","1","","Podsiadło, Marcin; Jakóbek, Katarzyna; Katrusiak, Andrzej","Density, freezing and molecular aggregation in pyridazine, pyridine and benzene","CrystEngComm","2010","12","9","2561","","10.1039/c001153c","","","0.71073","MoKα","","0.0779","0.0587","","","0.1579","0.1686","","","","","","1.119","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212506","3.7189","0.0007","10.748","0.002","9.6823","0.0019","90","","91.5","0.03","90","","386.88","0.13","295","2","295","2","","","610000","","","","","3","P 1 21/n 1","-P 2yn","14","pyridazine","pyridazine","","- C4 H4 N2 -","- C4 H4 N2 -","- C16 H16 N8 -","4","1","","Podsiadło, Marcin; Jakóbek, Katarzyna; Katrusiak, Andrzej","Density, freezing and molecular aggregation in pyridazine, pyridine and benzene","CrystEngComm","2010","12","9","2561","","10.1039/c001153c","","","0.71073","MoKα","","0.0851","0.0726","","","0.2146","0.233","","","","","","1.17","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212507","17.267","0.004","8.764","0.0018","11.006","0.002","90","","90","","90","","1665.5","0.6","295","2","295","2","","","1230000","","","","","3","P n a 21","P 2c -2n","33","pyridine","pyridine","","- C5 H5 N -","- C5 H5 N -","- C80 H80 N16 -","16","4","","Podsiadło, Marcin; Jakóbek, Katarzyna; Katrusiak, Andrzej","Density, freezing and molecular aggregation in pyridazine, pyridine and benzene","CrystEngComm","2010","12","9","2561","","10.1039/c001153c","","","0.71073","MoKα","","0.1611","0.0997","","","0.196","0.2302","","","","","","1.145","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212508","6.771","0.0014","5.591","0.0011","18.1","0.004","90","","90.4","0.03","90","","685.2","0.2","295","2","295","2","","","1800000","","","","","4","P 1 c 1","P -2yc","7","pyridine:methanol 3:1 cocrystal","pyridine:methanol 3:1 cocrystal","","- C16 H19 N3 O -","- C16 H19 N3 O -","- C32 H38 N6 O2 -","2","1","","Podsiadło, Marcin; Jakóbek, Katarzyna; Katrusiak, Andrzej","Density, freezing and molecular aggregation in pyridazine, pyridine and benzene","CrystEngComm","2010","12","9","2561","","10.1039/c001153c","","","0.71073","MoKα","","0.3587","0.3001","","","0.285","0.307","","","","","","2.301","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212509","20.424","0.004","11.568","0.002","21.291","0.004","90","","112.26","0.03","90","","4655.4","1.8","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H73 Mo18 N9 O88 P2 -","- C18 H30 Mo18 N9 O88 P2 -","- C36 H60 Mo36 N18 O176 P4 -","2","1","","Liu, Ding; Tan, Hua-Qiao; Chen, Wei-Lin; Li, Yang-Guang; Wang, En-Bo","Resolution of chiral polyoxoanion [P2Mo18O62]6− with histidine","CrystEngComm","2010","12","7","2044","","10.1039/c001160f","","","0.71073","MoKα","","0.0597","0.051","","","0.1424","0.1514","","","","","","0.962","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212510","20.443","0.004","11.573","0.002","21.276","0.004","90","","112.15","0.03","90","","4662.1","1.8","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H73 Mo18 N9 O88 P2 -","- C18 H30 Mo18 N9 O88 P2 -","- C36 H60 Mo36 N18 O176 P4 -","2","1","","Liu, Ding; Tan, Hua-Qiao; Chen, Wei-Lin; Li, Yang-Guang; Wang, En-Bo","Resolution of chiral polyoxoanion [P2Mo18O62]6− with histidine","CrystEngComm","2010","12","7","2044","","10.1039/c001160f","","","0.71073","MoKα","","0.0387","0.0354","","","0.0948","0.0982","","","","","","1.045","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212511","15.314","0.003","15.585","0.003","16.984","0.003","90","","104.48","0.03","90","","3924.8","1.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H65 Mo18 N6 O86.5 P2 -","- C12 H20 Mo18 N6 O86.5 P2 -","- C24 H40 Mo36 N12 O173 P4 -","2","1","","Liu, Ding; Tan, Hua-Qiao; Chen, Wei-Lin; Li, Yang-Guang; Wang, En-Bo","Resolution of chiral polyoxoanion [P2Mo18O62]6− with histidine","CrystEngComm","2010","12","7","2044","","10.1039/c001160f","","","0.71073","MoKα","","0.0677","0.0651","","","0.1681","0.1695","","","","","","1.125","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7212512","33.99","0.02","7.985","0.004","23.009","0.014","90","","123.764","0.006","90","","5192","5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H21 N5 O8 Zn -","- C27 H15 N5 O8 Zn -","- C216 H120 N40 O64 Zn8 -","8","1","","Sun, Jian-Ke; Yao, Qing-Xia; Ju, Zhan-Feng; Zhang, Jie","2D self-catenated coordination polymer constructed by triple- and double-helical chains","CrystEngComm","2010","12","6","1709","","10.1039/c001249c","","","0.71073","MoKα","","0.0583","0.0533","","","0.1515","0.1568","","","","","","1.036","","","","has coordinates,has disorder","180456","2020-10-21","18:00:00",""
"7212513","5.6163","0.0005","8.7795","0.0008","27.999","0.002","90","","90","","90","","1380.6","0.2","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","L-glutamyl-L-cysteinylglycine","L-glutamyl-L-cysteinylglycine","","- C10 H17 N3 O6 S -","- C10 H17 N3 O6 S -","- C40 H68 N12 O24 S4 -","4","1","","Moggach, Stephen A.; Lennie, Alistair R.; Morrison, Carole A.; Richardson, Patricia; Stefanowicz, Fiona A.; Warren, John E.","Pressure induced phase transitions in the tripeptide glutathione to 5.24 GPa: the crystal structure of glutathione-II at 2.94 GPa and glutathione-III at 3.70 GPa","CrystEngComm","2010","12","9","2587","","10.1039/c001254h","","","0.71073","MoKα","","0.0892","0.0533","","0.1286","0.1085","0.1286","","","","","","0.969","","","","has coordinates","288252","2023-12-12","14:26:25",""
"7212514","5.3892","0.0003","8.4564","0.0004","27.564","0.004","90","","90","","90","","1256.2","0.2","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","L-glutamyl-L-cysteinylglycine","L-glutamyl-L-cysteinylglycine","","- C10 H17 N3 O6 S -","- C10 H17 N3 O6 S -","- C40 H68 N12 O24 S4 -","4","1","","Moggach, Stephen A.; Lennie, Alistair R.; Morrison, Carole A.; Richardson, Patricia; Stefanowicz, Fiona A.; Warren, John E.","Pressure induced phase transitions in the tripeptide glutathione to 5.24 GPa: the crystal structure of glutathione-II at 2.94 GPa and glutathione-III at 3.70 GPa","CrystEngComm","2010","12","9","2587","","10.1039/c001254h","","","0.4767","synchrotron","","0.0983","0.0435","","0.1102","0.0695","0.1102","","","","","","0.9901","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212515","5.3033","0.0003","8.2132","0.0005","26.874","0.004","90","","90","","90","","1170.6","0.2","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","L-glutamyl-L-cysteinylglycine","L-glutamyl-L-cysteinylglycine","","- C10 H17 N3 O6 S -","- C10 H17 N3 O6 S -","- C40 H68 N12 O24 S4 -","4","1","","Moggach, Stephen A.; Lennie, Alistair R.; Morrison, Carole A.; Richardson, Patricia; Stefanowicz, Fiona A.; Warren, John E.","Pressure induced phase transitions in the tripeptide glutathione to 5.24 GPa: the crystal structure of glutathione-II at 2.94 GPa and glutathione-III at 3.70 GPa","CrystEngComm","2010","12","9","2587","","10.1039/c001254h","","","0.4767","synchrotron","","0.0596","0.0372","","0.1245","0.0804","0.1245","","","","","","1.0006","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212516","5.2748","0.0002","8.3459","0.0003","25.496","0.003","90","","90","","90","","1122.41","0.14","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","L-glutamyl-L-cysteinylglycine","L-glutamyl-L-cysteinylglycine","","- C10 H17 N3 O6 S -","- C10 H17 N3 O6 S -","- C40 H68 N12 O24 S4 -","4","1","","Moggach, Stephen A.; Lennie, Alistair R.; Morrison, Carole A.; Richardson, Patricia; Stefanowicz, Fiona A.; Warren, John E.","Pressure induced phase transitions in the tripeptide glutathione to 5.24 GPa: the crystal structure of glutathione-II at 2.94 GPa and glutathione-III at 3.70 GPa","CrystEngComm","2010","12","9","2587","","10.1039/c001254h","","","0.4767","synchrotron","","0.0483","0.0212","","0.0449","0.034","0.0449","","","","","","1.1146","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212517","16.546","0.007","4.49","0.001","14.124","0.007","90","","125.5","0.13","90","","854.2","1.5","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C16 H24 O8 -","- C16 H24 O8 -","- C32 H48 O16 -","2","0.5","","Carrillo, Romen; López-Rodríguez, Matías; Martín, Víctor S.; Martín, Tomás","Crystal structures of self-assembled nanotubes from flexible macrocycles by weak interactions","CrystEngComm","2010","12","11","3676","","10.1039/c001261k","","","0.71073","MoKα","","0.0687","0.064","","","0.1629","0.1672","","","","","","1.261","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212518","9.052","0.002","27.546","0.006","9.808","0.003","90","","115.28","0.02","90","","2211.4","1","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H48 O16 -","- C32 H48 O16 -","- C64 H96 O32 -","2","1","","Carrillo, Romen; López-Rodríguez, Matías; Martín, Víctor S.; Martín, Tomás","Crystal structures of self-assembled nanotubes from flexible macrocycles by weak interactions","CrystEngComm","2010","12","11","3676","","10.1039/c001261k","","","0.71073","MoKα","","0.1177","0.0868","","","0.236","0.256","","","","","","0.987","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212519","18.443","0.017","7.313","0.005","15.038","0.016","90","","122.19","0.05","90","","1716","3","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C32 H48 O16 -","- C32 H48 O16 -","- C64 H96 O32 -","2","0.5","","Carrillo, Romen; López-Rodríguez, Matías; Martín, Víctor S.; Martín, Tomás","Crystal structures of self-assembled nanotubes from flexible macrocycles by weak interactions","CrystEngComm","2010","12","11","3676","","10.1039/c001261k","","","0.71073","MoKα","","0.0441","0.0389","","","0.0911","0.094","","","","","","1.1","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212521","9.052","0.002","27.546","0.006","9.808","0.003","90","","115.28","0.02","90","","2211.4","1","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H48 O16 -","- C32 H48 O16 -","- C64 H96 O32 -","2","1","","Carrillo, Romen; López-Rodríguez, Matías; Martín, Víctor S.; Martín, Tomás","Crystal structures of self-assembled nanotubes from flexible macrocycles by weak interactions","CrystEngComm","2010","12","11","3676","","10.1039/c001261k","","","0.71073","MoKα","","0.0999","0.0722","","","0.2056","0.2218","","","","","","0.908","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212523","15.8818","0.0005","15.8818","0.0005","9.9176","0.0007","90","","90","","120","","2166.39","0.18","296","2","296","2","","","","","","","","5","P -6","P -6","174","","","","- C20 H20 In N O8 -","- C16.6667 H8 In N0.67 O8 -","- C50 H24 In3 N2.01 O24 -","3","0.5","","Bu, Fei; Xiao, Shou-Jun","A 4-connected anionic metal‒organic nanotube constructed from indium isophthalate","CrystEngComm","2010","12","11","3385","","10.1039/c001284j","","","0.71073","MoKα","","0.0579","0.0547","","","0.1512","0.1544","","","","","","1.116","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212524","6.0186","0.0006","12.3298","0.0011","5.7828","0.0004","90","","90","","90","","429.13","0.06","298","","298","","","0.016","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","L-alanine-d8","L-alanine-d8","","- C3 D7 N O2 -","- C3 D7 N O2 -","- C12 D28 N4 O8 -","4","1","","Funnell, Nicholas P.; Dawson, Alice; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Warren, John E.; Parsons, Simon","The effect of pressure on the crystal structure of l-alanine","CrystEngComm","2010","12","9","2573","","10.1039/c001296c","powder diffraction","neutron","","Neutron","","","","","","","","","","1.146","","","","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212525","5.9004","0.001","12.298","0.002","5.7626","0.0008","90","","90","","90","","418.15","0.11","298","","298","","0.4","0.03","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","L-alanine-d8","L-alanine-d8","","- C3 D7 N O2 -","- C3 D7 N O2 -","- C12 D28 N4 O8 -","4","1","","Funnell, Nicholas P.; Dawson, Alice; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Warren, John E.; Parsons, Simon","The effect of pressure on the crystal structure of l-alanine","CrystEngComm","2010","12","9","2573","","10.1039/c001296c","powder diffraction","neutron","","Neutron","","","","","","","","","","1.06","","","","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212526","5.8204","0.0009","12.2496","0.0018","5.7419","0.0008","90","","90","","90","","409.38","0.1","298","","298","","0.77","0.03","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 D7 N O2 -","- C3 D7 N O2 -","- C12 D28 N4 O8 -","4","1","","Funnell, Nicholas P.; Dawson, Alice; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Warren, John E.; Parsons, Simon","The effect of pressure on the crystal structure of l-alanine","CrystEngComm","2010","12","9","2573","","10.1039/c001296c","powder diffraction","neutron","","Neutron","","","","","","","","","","1.104","","","","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212527","5.783","0.0005","12.2194","0.0009","5.7287","0.0004","90","","90","","90","","404.82","0.05","298","","298","","1.025","0.014","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 D7 N O2 -","- C3 D7 N O2 -","- C12 D28 N4 O8 -","4","1","","Funnell, Nicholas P.; Dawson, Alice; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Warren, John E.; Parsons, Simon","The effect of pressure on the crystal structure of l-alanine","CrystEngComm","2010","12","9","2573","","10.1039/c001296c","powder diffraction","neutron","","Neutron","","","","","","","","","","1.183","","","","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212528","5.7345","0.0004","12.1746","0.0007","5.7095","0.0003","90","","90","","90","","398.61","0.04","298","","298","","1.38","0.012","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","L-alanine-d8","L-alanine-d8","","- C3 D7 N O2 -","- C3 D7 N O2 -","- C12 D28 N4 O8 -","4","1","","Funnell, Nicholas P.; Dawson, Alice; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Warren, John E.; Parsons, Simon","The effect of pressure on the crystal structure of l-alanine","CrystEngComm","2010","12","9","2573","","10.1039/c001296c","powder diffraction","neutron","","Neutron","","","","","","","","","","1.251","","","","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212529","5.6369","0.0004","12.0464","0.0007","5.6628","0.0003","90","","90","","90","","384.53","0.04","298","","298","","2.302","0.014","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 D7 N O2 -","- C3 D7 N O2 -","- C12 D28 N4 O8 -","4","1","","Funnell, Nicholas P.; Dawson, Alice; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Warren, John E.; Parsons, Simon","The effect of pressure on the crystal structure of l-alanine","CrystEngComm","2010","12","9","2573","","10.1039/c001296c","powder diffraction","neutron","","Neutron","","","","","","","","","","1.324","","","","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212530","5.5556","0.0003","11.911","0.0007","5.6233","0.0003","90","","90","","90","","372.11","0.04","298","","298","","3.206","0.014","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 D7 N O2 -","- C3 D7 N O2 -","- C12 D28 N4 O8 -","4","1","","Funnell, Nicholas P.; Dawson, Alice; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Warren, John E.; Parsons, Simon","The effect of pressure on the crystal structure of l-alanine","CrystEngComm","2010","12","9","2573","","10.1039/c001296c","powder diffraction","neutron","","Neutron","","","","","","","","","","1.251","","","","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212531","5.485","0.0005","11.7729","0.001","5.5875","0.0005","90","","90","","90","","360.81","0.06","298","","298","","4.31","0.02","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 D7 N O2 -","- C3 D7 N O2 -","- C12 D28 N4 O8 -","4","1","","Funnell, Nicholas P.; Dawson, Alice; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Warren, John E.; Parsons, Simon","The effect of pressure on the crystal structure of l-alanine","CrystEngComm","2010","12","9","2573","","10.1039/c001296c","powder diffraction","neutron","","Neutron","","","","","","","","","","1.104","","","","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212532","5.4221","0.0003","11.6457","0.0006","5.5564","0.0003","90","","90","","90","","350.85","0.03","298","","298","","5.426","0.019","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 D7 N O2 -","- C3 D7 N O2 -","- C12 D28 N4 O8 -","4","1","","Funnell, Nicholas P.; Dawson, Alice; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Warren, John E.; Parsons, Simon","The effect of pressure on the crystal structure of l-alanine","CrystEngComm","2010","12","9","2573","","10.1039/c001296c","powder diffraction","neutron","","Neutron","","","","","","","","","","1.259","","","","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212533","5.3626","0.0004","11.5291","0.0009","5.5263","0.0004","90","","90","","90","","341.67","0.04","298","","298","","6.65","0.03","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 D7 N O2 -","- C3 D7 N O2 -","- C12 D28 N4 O8 -","4","1","","Funnell, Nicholas P.; Dawson, Alice; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Warren, John E.; Parsons, Simon","The effect of pressure on the crystal structure of l-alanine","CrystEngComm","2010","12","9","2573","","10.1039/c001296c","powder diffraction","neutron","","Neutron","","","","","","","","","","1.1","","","","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212534","5.3105","0.0003","11.4299","0.0006","5.5015","0.0003","90","","90","","90","","333.93","0.03","298","","298","","8.03","0.02","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 D7 N O2 -","- C3 D7 N O2 -","- C12 D28 N4 O8 -","4","1","","Funnell, Nicholas P.; Dawson, Alice; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Warren, John E.; Parsons, Simon","The effect of pressure on the crystal structure of l-alanine","CrystEngComm","2010","12","9","2573","","10.1039/c001296c","powder diffraction","neutron","","Neutron","","","","","","","","","","1.232","","","","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212535","5.2815","0.0005","11.3765","0.001","5.4879","0.0005","90","","90","","90","","329.74","0.05","298","","298","","8.82","0.03","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 D7 N O2 -","- C3 D7 N O2 -","- C12 D28 N4 O8 -","4","1","","Funnell, Nicholas P.; Dawson, Alice; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Warren, John E.; Parsons, Simon","The effect of pressure on the crystal structure of l-alanine","CrystEngComm","2010","12","9","2573","","10.1039/c001296c","powder diffraction","neutron","","Neutron","","","","","","","","","","1.085","","","","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212536","5.2626","0.0003","11.3404","0.0006","5.4786","0.0003","90","","90","","90","","326.96","0.03","298","","298","","9.39","0.02","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 D7 N O2 -","- C3 D7 N O2 -","- C12 D28 N4 O8 -","4","1","","Funnell, Nicholas P.; Dawson, Alice; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Warren, John E.; Parsons, Simon","The effect of pressure on the crystal structure of l-alanine","CrystEngComm","2010","12","9","2573","","10.1039/c001296c","powder diffraction","neutron","","Neutron","","","","","","","","","","1.277","","","","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212537","5.2459","0.0004","11.3088","0.0008","5.4696","0.0004","90","","90","","90","","324.48","0.04","298","","298","","9.87","0.03","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 D7 N O2 -","- C3 D7 N O2 -","- C12 D28 N4 O8 -","4","1","","Funnell, Nicholas P.; Dawson, Alice; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Warren, John E.; Parsons, Simon","The effect of pressure on the crystal structure of l-alanine","CrystEngComm","2010","12","9","2573","","10.1039/c001296c","powder diffraction","neutron","","Neutron","","","","","","","","","","1.139","","","","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212538","4.8746","0.0014","6.4011","0.001","8.98","0.003","74.05","0.02","83.54","0.02","80.468","0.018","265.03","0.13","293","","293","","","","","","","","","6","P 1","P 1","1","","","","- C7 H6 Cl N3 O4 S2 -","- C7 H6 Cl N3 O4 S2 -","- C7 H6 Cl N3 O4 S2 -","1","1","","Oswald, Iain D. H.; Lennie, Alistair R.; Pulham, Colin R.; Shankland, Kenneth","High-pressure structural studies of the pharmaceutical, chlorothiazide","CrystEngComm","2010","12","9","2533","","10.1039/c001355b","","","0.71073","MoKα","","0.0751","0.0657","","0.1656","0.158","0.1656","","","","","","1.0479","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212539","4.835","0.003","6.31","0.002","8.895","0.007","74.62","0.04","84.12","0.05","80.67","0.04","257.7","0.3","293","","293","","","","","","","","","6","P 1","P 1","1","","","","- C7 H6 Cl N3 O4 S2 -","- C7 H6 Cl N3 O4 S2 -","- C7 H6 Cl N3 O4 S2 -","1","1","","Oswald, Iain D. H.; Lennie, Alistair R.; Pulham, Colin R.; Shankland, Kenneth","High-pressure structural studies of the pharmaceutical, chlorothiazide","CrystEngComm","2010","12","9","2533","","10.1039/c001355b","","","0.71073","MoKα","","0.0789","0.0701","","0.1678","0.1592","0.1678","","","","","","1.071","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212540","4.76","0.002","6.1455","0.0012","8.737","0.004","76.06","0.03","84.56","0.03","81.25","0.02","244.71","0.16","293","","293","","","","","","","","","6","P 1","P 1","1","","","","- C7 H6 Cl N3 O4 S2 -","- C7 H6 Cl N3 O4 S2 -","- C7 H6 Cl N3 O4 S2 -","1","1","","Oswald, Iain D. H.; Lennie, Alistair R.; Pulham, Colin R.; Shankland, Kenneth","High-pressure structural studies of the pharmaceutical, chlorothiazide","CrystEngComm","2010","12","9","2533","","10.1039/c001355b","","","0.71073","MoKα","","0.0631","0.0539","","0.135","0.1278","0.135","","","","","","1.0489","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212541","4.728","0.002","6.0501","0.0014","8.684","0.005","76.54","0.03","84.73","0.04","81.67","0.03","238.6","0.18","293","","293","","","","","","","","","6","P 1","P 1","1","","","","- C7 H6 Cl N3 O4 S2 -","- C7 H6 Cl N3 O4 S2 -","- C7 H6 Cl N3 O4 S2 -","1","1","","Oswald, Iain D. H.; Lennie, Alistair R.; Pulham, Colin R.; Shankland, Kenneth","High-pressure structural studies of the pharmaceutical, chlorothiazide","CrystEngComm","2010","12","9","2533","","10.1039/c001355b","","","0.71073","MoKα","","0.062","0.0564","","0.1735","0.1696","0.1735","","","","","","1.2154","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212542","4.693","0.002","5.9013","0.0014","8.599","0.005","77.48","0.03","84.97","0.04","82.35","0.03","229.99","0.18","293","","293","","","","","","","","","6","P 1","P 1","1","","","","- C7 H6 Cl N3 O4 S2 -","- C7 H6 Cl N3 O4 S2 -","- C7 H6 Cl N3 O4 S2 -","1","1","","Oswald, Iain D. H.; Lennie, Alistair R.; Pulham, Colin R.; Shankland, Kenneth","High-pressure structural studies of the pharmaceutical, chlorothiazide","CrystEngComm","2010","12","9","2533","","10.1039/c001355b","","","0.71073","MoKα","","0.0703","0.0627","","0.158","0.1512","0.158","","","","","","1.1572","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212543","4.676","0.003","5.8115","0.0017","8.543","0.006","77.95","0.04","85.11","0.05","82.77","0.04","224.8","0.2","293","","293","","","","","","","","","6","P 1","P 1","1","","","","- C7 H6 Cl N3 O4 S2 -","- C7 H6 Cl N3 O4 S2 -","- C7 H6 Cl N3 O4 S2 -","1","1","","Oswald, Iain D. H.; Lennie, Alistair R.; Pulham, Colin R.; Shankland, Kenneth","High-pressure structural studies of the pharmaceutical, chlorothiazide","CrystEngComm","2010","12","9","2533","","10.1039/c001355b","","","0.71073","MoKα","","0.0679","0.0625","","0.1678","0.1635","0.1678","","","","","","1.1345","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212544","4.51","0.0005","5.9287","0.0006","8.503","0.003","76.528","0.016","85.624","0.017","83.203","0.008","219.27","0.09","293","","293","","","","","","","","","6","P 1","P 1","1","","","","- C7 H6 Cl N3 O4 S2 -","- C7 H6 Cl N3 O4 S2 -","- C7 H6 Cl N3 O4 S2 -","1","1","","Oswald, Iain D. H.; Lennie, Alistair R.; Pulham, Colin R.; Shankland, Kenneth","High-pressure structural studies of the pharmaceutical, chlorothiazide","CrystEngComm","2010","12","9","2533","","10.1039/c001355b","","","0.71073","MoKα","","0.0305","0.0288","","0.0693","0.0675","0.0693","","","","","","1.223","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212545","4.4832","0.0004","5.8932","0.0004","8.465","0.002","76.234","0.013","85.836","0.013","83.284","0.006","215.5","0.06","293","","293","","","","","","","","","6","P 1","P 1","1","","","","- C7 H6 Cl N3 O4 S2 -","- C7 H6 Cl N3 O4 S2 -","- C7 H6 Cl N3 O4 S2 -","1","1","","Oswald, Iain D. H.; Lennie, Alistair R.; Pulham, Colin R.; Shankland, Kenneth","High-pressure structural studies of the pharmaceutical, chlorothiazide","CrystEngComm","2010","12","9","2533","","10.1039/c001355b","","","0.71073","MoKα","","0.0267","0.0256","","0.0583","0.0578","0.0583","","","","","","1.2151","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212546","4.4609","0.0004","5.8592","0.0005","8.427","0.002","75.991","0.015","86.055","0.014","83.349","0.006","212.08","0.06","293","","293","","","","","","","","","6","P 1","P 1","1","","","","- C7 H6 Cl N3 O4 S2 -","- C7 H6 Cl N3 O4 S2 -","- C7 H6 Cl N3 O4 S2 -","1","1","","Oswald, Iain D. H.; Lennie, Alistair R.; Pulham, Colin R.; Shankland, Kenneth","High-pressure structural studies of the pharmaceutical, chlorothiazide","CrystEngComm","2010","12","9","2533","","10.1039/c001355b","","","0.71073","MoKα","","0.0255","0.024","","0.0584","0.0579","0.0584","","","","","","1.1898","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212547","11.52","0.0004","14.4315","0.0007","18.012","0.003","90","","90","","90","","2994.5","0.5","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H36 Cu2 N12 O16 -","- C16 H36 Cu2 N12 O16 -","- C64 H144 Cu8 N48 O64 -","4","0.5","","Galloway, Kyle W.; Moggach, Stephen A.; Parois, Pascal; Lennie, Alistair R.; Warren, John E.; Brechin, Euan K.; Peacock, Robert D.; Valiente, Rafael; González, Jesús; Rodríguez, Fernando; Parsons, Simon; Murrie, Mark","Pressure-induced switching in a copper(ii) citrate dimer","CrystEngComm","2010","12","9","2516","","10.1039/c001376e","","","0.4754","synchrotron","","0.0576","0.0389","","0.1091","0.0944","0.1091","","","","","","0.9194","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212548","11.2728","0.0008","13.8681","0.0011","18.219","0.004","90","","90","","90","","2848.2","0.7","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H36 Cu2 N12 O16 -","- C16 H36 Cu2 N12 O16 -","- C64 H144 Cu8 N48 O64 -","4","0.5","","Galloway, Kyle W.; Moggach, Stephen A.; Parois, Pascal; Lennie, Alistair R.; Warren, John E.; Brechin, Euan K.; Peacock, Robert D.; Valiente, Rafael; González, Jesús; Rodríguez, Fernando; Parsons, Simon; Murrie, Mark","Pressure-induced switching in a copper(ii) citrate dimer","CrystEngComm","2010","12","9","2516","","10.1039/c001376e","","","0.4754","synchrotron","","0.0496","0.032","","0.0887","0.0777","0.0887","","","","","","0.8574","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212549","11.1332","0.0005","13.4098","0.0007","18.367","0.002","90","","90","","90","","2742.1","0.4","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H36 Cu2 N12 O16 -","- C16 H36 Cu2 N12 O16 -","- C64 H144 Cu8 N48 O64 -","4","0.5","","Galloway, Kyle W.; Moggach, Stephen A.; Parois, Pascal; Lennie, Alistair R.; Warren, John E.; Brechin, Euan K.; Peacock, Robert D.; Valiente, Rafael; González, Jesús; Rodríguez, Fernando; Parsons, Simon; Murrie, Mark","Pressure-induced switching in a copper(ii) citrate dimer","CrystEngComm","2010","12","9","2516","","10.1039/c001376e","","","0.4754","synchrotron","","0.0557","0.033","","0.0921","0.0772","0.0921","","","","","","0.9629","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212550","11.716","0.007","14.713","0.009","17.934","0.011","90","","90","","90","","3091","3","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H36 Cu2 N12 O16 -","- C16 H36 Cu2 N12 O16 -","- C64 H144 Cu8 N48 O64 -","4","0.5","","Galloway, Kyle W.; Moggach, Stephen A.; Parois, Pascal; Lennie, Alistair R.; Warren, John E.; Brechin, Euan K.; Peacock, Robert D.; Valiente, Rafael; González, Jesús; Rodríguez, Fernando; Parsons, Simon; Murrie, Mark","Pressure-induced switching in a copper(ii) citrate dimer","CrystEngComm","2010","12","9","2516","","10.1039/c001376e","","","0.71073","MoKα","","0.0525","0.0332","","0.072","0.0632","0.072","","","","","","1.0554","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212551","7.385","0.003","7.782","0.005","12.82","0.08","90","","95.02","0.12","90","","734","5","296","2","296","2","1800000","","","","","","","5","P 1 21/m 1","-P 2yb","11","1,4-diazabicyclo(2.2.2)octane dihydroiodide trimethanol cocrystal","1,4-diazabicyclo[2.2.2]octane dihydroiodide trimethanol cocrystal","","- C9 H26 I2 N2 O3 -","- C9 H26 I2 N2 O3 -","- C18 H52 I4 N4 O6 -","2","0.5","","Olejniczak, Anna; Katrusiak, Andrzej","Pressure induced transformations of 1,4-diazabicyclo[2.2.2]octane (dabco) hydroiodide: diprotonation of dabco, its N-methylation and co-crystallization with methanol","CrystEngComm","2010","12","9","2528","","10.1039/c001379j","","","0.71073","MoKα","","0.1172","0.0617","","","0.1424","0.1682","","","","","","1.386","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212552","8.88","0.02","6.5844","0.0004","10.335","0.01","90","","108.69","0.19","90","","572.4","1.5","296","2","296","2","2400000","","","","","","","5","P 1 21/m 1","-P 2yb","11","N-methyl-1,4-diazabicyclo(2.2.2)octanium iodide dimethanol cocrystal","N-methyl-1,4-diazabicyclo[2.2.2]octanium iodide dimethanol cocrystal","","- C9 H23 I N2 O2 -","- C9 H23 I N2 O2 -","- C18 H46 I2 N4 O4 -","2","0.5","","Olejniczak, Anna; Katrusiak, Andrzej","Pressure induced transformations of 1,4-diazabicyclo[2.2.2]octane (dabco) hydroiodide: diprotonation of dabco, its N-methylation and co-crystallization with methanol","CrystEngComm","2010","12","9","2528","","10.1039/c001379j","","","0.71073","MoKα","","0.0413","0.0396","","","0.0841","0.0903","","","","","","1.086","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212553","10.4595","0.0009","14.392","0.0013","14.7634","0.0013","69.608","0.001","82.476","0.001","88.043","0.001","2065","0.3","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H74 Cd3 N4 O16 -","- C73.994 H74 Cd3 N4 O16 -","- C73.994 H74 Cd3 N4 O16 -","1","0.5","","Mu, Bin; Huang, Yougui; Walton, Krista S.","A metal‒organic framework with coordinatively unsaturated metal centers and microporous structure","CrystEngComm","2010","12","8","2347","","10.1039/c001485k","","","0.71073","MoKα","","0.0698","0.0562","","","0.1389","0.1471","","","","","","1.04","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212554","10.9528","0.0002","13.6506","0.0002","26.0918","0.0004","90","","90","","90","","3901.04","0.11","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H46.5 N4 O23.25 Zn2 -","- C32 H29 N4 O23.201 Zn2 -","- C128 H116 N16 O92.804 Zn8 -","4","1","","Abrahams, Brendan F.; Grannas, Martin J.; McCormick, Laura J.; Robson, Richard; Thistlethwaite, Peter J.","Chiral and achiral linear coordination polymers from aldaric acids","CrystEngComm","2010","12","10","2885","","10.1039/c001505a","","","1.54184","CuKα","","0.0532","0.0435","","","0.1228","0.1304","","","","","","1.058","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212555","6.953","0.002","12.209","0.004","13.829","0.004","111.295","0.006","97.98","0.005","102.352","0.006","1037.8","0.5","130","2","130","2","","","","","","","","5","P 1","P 1","1","","","","- C32 H50 Cu2 N4 O25 -","- C32 H26 Cu2 N4 O24.925 -","- C32 H26 Cu2 N4 O24.925 -","1","1","","Abrahams, Brendan F.; Grannas, Martin J.; McCormick, Laura J.; Robson, Richard; Thistlethwaite, Peter J.","Chiral and achiral linear coordination polymers from aldaric acids","CrystEngComm","2010","12","10","2885","","10.1039/c001505a","","","0.71073","MoKα","","0.054","0.0509","","","0.1296","0.1319","","","","","","1.056","","","","has coordinates,has disorder","180456","2020-10-21","18:00:00",""
"7212556","8.066","0.0002","25.1855","0.0006","9.8493","0.0003","90","","110.551","0.003","90","","1873.51","0.09","130","2","130","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C18 H20 N2 O10 Zn -","- C18 H15 N2 O10 Zn -","- C72 H60 N8 O40 Zn4 -","4","1","","Abrahams, Brendan F.; Grannas, Martin J.; McCormick, Laura J.; Robson, Richard; Thistlethwaite, Peter J.","Chiral and achiral linear coordination polymers from aldaric acids","CrystEngComm","2010","12","10","2885","","10.1039/c001505a","","","1.54184","CuKα","","0.0458","0.0428","","","0.124","0.1346","","","","","","1.113","","","","has coordinates,has disorder","180456","2020-10-21","18:00:00",""
"7212557","8.0918","0.0001","25.5718","0.0003","9.9599","0.0001","90","","111.096","0.002","90","","1922.8","0.05","130","2","130","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C18 H20.5 Mn N2 O10.25 -","- C18 H13.5 Mn N2 O10.25 -","- C72 H54 Mn4 N8 O41 -","4","1","","Abrahams, Brendan F.; Grannas, Martin J.; McCormick, Laura J.; Robson, Richard; Thistlethwaite, Peter J.","Chiral and achiral linear coordination polymers from aldaric acids","CrystEngComm","2010","12","10","2885","","10.1039/c001505a","","","1.54184","CuKα","","0.0831","0.0761","","","0.2025","0.2098","","","","","","1.091","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7212558","8.0565","0.0004","25.1374","0.0008","9.8567","0.0004","90","","110.482","0.005","90","","1869.98","0.15","130","2","130","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C18 H20 Co N2 O10 -","- C18 H14 Co N2 O10 -","- C72 H56 Co4 N8 O40 -","4","1","","Abrahams, Brendan F.; Grannas, Martin J.; McCormick, Laura J.; Robson, Richard; Thistlethwaite, Peter J.","Chiral and achiral linear coordination polymers from aldaric acids","CrystEngComm","2010","12","10","2885","","10.1039/c001505a","","","1.54184","CuKα","","0.0741","0.0556","","","0.1395","0.1497","","","","","","0.999","","","","has coordinates,has disorder","180456","2020-10-21","18:00:00",""
"7212559","7.927","0.0019","25.929","0.005","10.234","0.002","90","","112.785","0.001","90","","1939.3","0.7","130","2","130","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H10 Cd0.5 N O5 -","- C9 H7 Cd0.5 N O5 -","- C72 H56 Cd4 N8 O40 -","8","1","","Abrahams, Brendan F.; Grannas, Martin J.; McCormick, Laura J.; Robson, Richard; Thistlethwaite, Peter J.","Chiral and achiral linear coordination polymers from aldaric acids","CrystEngComm","2010","12","10","2885","","10.1039/c001505a","","","1.54184","CuKα","","0.1281","0.1158","","","0.2911","0.3022","","","","","","1.065","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7212560","9.7117","0.0003","10.2821","0.0002","10.9564","0.0004","90","","113.107","0.004","90","","1006.3","0.06","130","2","130","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C18 H22 Cu N2 O11 -","- C18 H14 Cu N2 O11 -","- C36 H28 Cu2 N4 O22 -","2","0.5","","Abrahams, Brendan F.; Grannas, Martin J.; McCormick, Laura J.; Robson, Richard; Thistlethwaite, Peter J.","Chiral and achiral linear coordination polymers from aldaric acids","CrystEngComm","2010","12","10","2885","","10.1039/c001505a","","","1.54184","CuKα","","0.0559","0.0469","","","0.134","0.1376","","","","","","1.216","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212561","4.5588","0.0002","11.9018","0.0005","15.8005","0.0006","85.912","0.004","84.811","0.003","83.249","0.003","846.27","0.06","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H18 La N3 O12 -","- C12 H14 La N3 O12 -","- C24 H28 La2 N6 O24 -","2","1","","Zhuang, Gui-Lin; Kong, Xiang-Jian; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of lanthanide contraction on crystal structures of lanthanide coordination polymers with 2,5-piperazinedione-1,4-diacetic acid","CrystEngComm","2010","12","10","2691","","10.1039/c001537g","","","0.71073","MoKα","","0.0278","0.022","","","0.0495","0.0505","","","","","","0.984","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212562","8.5017","0.0003","9.4822","0.0003","10.8767","0.0005","106.74","0.004","101.306","0.004","92.424","0.003","818.8","0.06","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H16 N3 O11 Pr -","- C12 H14 N3 O11 Pr -","- C24 H28 N6 O22 Pr2 -","2","1","","Zhuang, Gui-Lin; Kong, Xiang-Jian; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of lanthanide contraction on crystal structures of lanthanide coordination polymers with 2,5-piperazinedione-1,4-diacetic acid","CrystEngComm","2010","12","10","2691","","10.1039/c001537g","","","0.71073","MoKα","","0.0226","0.0194","","","0.0479","0.0485","","","","","","1.053","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212563","7.8028","0.0001","19.2619","0.0003","12.67","0.0002","90","","98.975","0.001","90","","1880.95","0.05","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H22 N3 O14 Sm -","- C12 H14 N3 O14 Sm -","- C48 H56 N12 O56 Sm4 -","4","1","","Zhuang, Gui-Lin; Kong, Xiang-Jian; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of lanthanide contraction on crystal structures of lanthanide coordination polymers with 2,5-piperazinedione-1,4-diacetic acid","CrystEngComm","2010","12","10","2691","","10.1039/c001537g","","","0.71073","MoKα","","0.0323","0.0232","","","0.0623","0.0836","","","","","","1.221","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212564","7.8133","0.0003","10.7254","0.0004","11.9085","0.0004","64.815","0.004","70.883","0.003","72.769","0.003","838.79","0.06","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H18 Ho N3 O12 -","- C12 H14 Ho N3 O12 -","- C24 H28 Ho2 N6 O24 -","2","1","","Zhuang, Gui-Lin; Kong, Xiang-Jian; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of lanthanide contraction on crystal structures of lanthanide coordination polymers with 2,5-piperazinedione-1,4-diacetic acid","CrystEngComm","2010","12","10","2691","","10.1039/c001537g","","","0.71073","MoKα","","0.0158","0.0147","","","0.0367","0.0369","","","","","","1.078","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212565","6.105","0.003","3.9567","0.0015","13.714","0.007","90","","99.163","0.007","90","","327","0.3","270","2","270","2","","","","","","","","4","P 1 c 1","P -2yc","7","1-bromo-2,4,6-trifluorobenzene","1-bromo-2,4,6-trifluorobenzene","","- C6 H2 Br F3 -","- C6 H2 Br F3 -","- C12 H4 Br2 F6 -","2","1","","Probert, Michael R.; Chung, Yiu H. P.; Howard, Judith A. K.","Two solid state phases of 1-bromo-2,4,6-trifluorobenzene, crystallised under non-ambient conditions","CrystEngComm","2010","12","9","2584","","10.1039/c001539n","","","0.71073","MoKα","","0.0405","0.0341","","","0.0837","0.0863","","","","","","1.062","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212566","6.038","0.002","3.878","0.0012","13.594","0.005","90","","98.474","0.006","90","","314.83","0.18","120","2","120","2","","","","","","","","4","P 1 c 1","P -2yc","7","1-bromo-2,4,6-trifluorobenzene","1-bromo-2,4,6-trifluorobenzene","","- C6 H2 Br F3 -","- C6 H2 Br F3 -","- C12 H4 Br2 F6 -","2","1","","Probert, Michael R.; Chung, Yiu H. P.; Howard, Judith A. K.","Two solid state phases of 1-bromo-2,4,6-trifluorobenzene, crystallised under non-ambient conditions","CrystEngComm","2010","12","9","2584","","10.1039/c001539n","","","0.71073","MoKα","","0.0357","0.0355","","","0.0935","0.0938","","","","","","1.105","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212567","4.1069","0.0003","5.9634","0.0007","13.395","0.003","90","","93.949","0.012","90","","327.28","0.09","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","1-bromo-2,4,6-trifluorobenzene","1-bromo-2,4,6-trifluorobenzene","","- C6 H2 Br F3 -","- C6 H2 Br F3 -","- C12 H4 Br2 F6 -","2","1","","Probert, Michael R.; Chung, Yiu H. P.; Howard, Judith A. K.","Two solid state phases of 1-bromo-2,4,6-trifluorobenzene, crystallised under non-ambient conditions","CrystEngComm","2010","12","9","2584","","10.1039/c001539n","","","0.71073","MoKα","","0.0523","0.0429","","","0.106","0.1123","","","","","","1.217","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212568","9.724","0.0004","14.315","0.0006","18.145","0.0008","68.882","0.007","89.791","0.001","71.188","0.001","2212.1","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H62 Mo16 N18 Ni O56 -","- C54 H62 Mo16 N18 Ni O56 -","- C54 H62 Mo16 N18 Ni O56 -","1","0.5","","Zang, Hong-Ying; Tan, Ke; Guan, Wei; Li, Shun-Li; Yang, Guang-Sheng; Shao, Kui-Zhan; Yan, Li-Kai; Su, Zhong-Min","Inorganic‒organic hybrid compounds based on the co-existence of different isomers or forms of polymolybdate","CrystEngComm","2010","12","11","3684","","10.1039/c001593h","","","0.71069","MoKα","","0.0504","0.0358","","","0.0758","0.0836","","","","","","1.008","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212569","10.467","0.006","13.725","0.008","15.932","0.001","85.217","0.001","76.214","0.001","72.187","0.001","2116.2","1.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H64 Co2 Mo16 N12 O66 -","- C36 H36 Co2 Mo16 N12 O66 -","- C36 H36 Co2 Mo16 N12 O66 -","1","0.5","","Zang, Hong-Ying; Tan, Ke; Guan, Wei; Li, Shun-Li; Yang, Guang-Sheng; Shao, Kui-Zhan; Yan, Li-Kai; Su, Zhong-Min","Inorganic‒organic hybrid compounds based on the co-existence of different isomers or forms of polymolybdate","CrystEngComm","2010","12","11","3684","","10.1039/c001593h","","","0.71069","MoKα","","0.0495","0.039","","","0.1006","0.1087","","","","","","1.037","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212570","10.0611","0.0013","12.0763","0.0016","15.1854","0.002","85.0225","0.0018","87.26","0.0017","67.4954","0.0015","1697.9","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H32 Cu6 Mo14 N16 O45 -","- C32 H32 Cu6 Mo14 N16 O45 -","- C32 H32 Cu6 Mo14 N16 O45 -","1","0.5","","Zang, Hong-Ying; Tan, Ke; Guan, Wei; Li, Shun-Li; Yang, Guang-Sheng; Shao, Kui-Zhan; Yan, Li-Kai; Su, Zhong-Min","Inorganic‒organic hybrid compounds based on the co-existence of different isomers or forms of polymolybdate","CrystEngComm","2010","12","11","3684","","10.1039/c001593h","","","0.71069","MoKα","","0.0713","0.059","","","0.1639","0.1777","","","","","","0.946","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212571","12.977","0.003","9.0177","0.0014","12.592","0.003","90","","94.82","0.018","90","","1468.3","0.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H16 N2 O6 -","- C14 H16 N2 O6 -","- C56 H64 N8 O24 -","4","0.5","","Muñoz, M. Carmen; Blay, Gonzalo; Fernández, Isabel; Pedro, José R.; Carrasco, Rosa; Castellano, María; Ruiz-García, Rafael; Cano, Joan","Topological control in the hydrogen bond-directed self-assembly of ortho-, meta-, and para-phenylene-substituted dioxamic acid diethyl esters","CrystEngComm","2010","12","8","2473","","10.1039/c001682a","","","0.71073","MoKα","","0.0694","0.0565","","","0.1604","0.1812","","","","","","0.827","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212572","15.8618","0.0004","6.4886","0.0002","16.1829","0.0005","90","","109.029","0.001","90","","1574.54","0.08","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H14 Ag F6 N6 P -","- C12 H14 Ag F6 N6 P -","- C48 H56 Ag4 F24 N24 P4 -","4","0.5","","Hsu, Shu-Chun; Wu, Jing-Yun; Lee, Chin-Fen; Lee, Chung-Chou; Lai, Long-Li; Lu, Kuang-Lieh","Flexible “piperazine‒pyrazine” building blocks: conformational isomerism of “equatorial‒axial” sites toward the constructions of silver(i) coordination chains","CrystEngComm","2010","12","11","3388","","10.1039/c001735c","","","0.71073","MoKα","","0.034","0.0286","","","0.0691","0.0721","","","","","","1.026","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212573","15.7412","0.0006","6.6018","0.0002","16.5704","0.0007","90","","109.108","0.002","90","","1627.12","0.11","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H14 Ag F6 N6 Sb -","- C12 H14 Ag F6 N6 Sb -","- C48 H56 Ag4 F24 N24 Sb4 -","4","0.5","","Hsu, Shu-Chun; Wu, Jing-Yun; Lee, Chin-Fen; Lee, Chung-Chou; Lai, Long-Li; Lu, Kuang-Lieh","Flexible “piperazine‒pyrazine” building blocks: conformational isomerism of “equatorial‒axial” sites toward the constructions of silver(i) coordination chains","CrystEngComm","2010","12","11","3388","","10.1039/c001735c","","","0.71073","MoKα","","0.037","0.0315","","","0.0756","0.0792","","","","","","1.046","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212574","28.677","0.0005","13.737","0.0004","18.424","0.0004","90","","123.91","0.001","90","","6023.4","0.3","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H14 Ag Cl N6 O4 -","- C12 H14 Ag Cl N6 O4 -","- C192 H224 Ag16 Cl16 N96 O64 -","16","2","","Hsu, Shu-Chun; Wu, Jing-Yun; Lee, Chin-Fen; Lee, Chung-Chou; Lai, Long-Li; Lu, Kuang-Lieh","Flexible “piperazine‒pyrazine” building blocks: conformational isomerism of “equatorial‒axial” sites toward the constructions of silver(i) coordination chains","CrystEngComm","2010","12","11","3388","","10.1039/c001735c","","","0.71073","MoKα","","0.1008","0.0495","","","0.1153","0.1541","","","","","","1.037","","","","has coordinates,has disorder","180456","2020-10-21","18:00:00",""
"7212575","12.595","0.003","10.732","0.002","10.892","0.002","90","","108.52","0.03","90","","1396","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H14 Ag N7 O3 -","- C12 H14 Ag N7 O3 -","- C48 H56 Ag4 N28 O12 -","4","0.5","","Hsu, Shu-Chun; Wu, Jing-Yun; Lee, Chin-Fen; Lee, Chung-Chou; Lai, Long-Li; Lu, Kuang-Lieh","Flexible “piperazine‒pyrazine” building blocks: conformational isomerism of “equatorial‒axial” sites toward the constructions of silver(i) coordination chains","CrystEngComm","2010","12","11","3388","","10.1039/c001735c","","","0.71073","MoKα","","0.0195","0.018","","","0.0462","0.0465","","","","","","1.093","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212576","8.4509","0.0003","16.1974","0.0004","9.8423","0.0004","90","","106.324","0.004","90","","1292.93","0.08","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Cu I N4 -","- C12 H10 Cu I N4 -","- C48 H40 Cu4 I4 N16 -","4","1","","Fang, Shao-Ming; Zhang, Qiang; Hu, Min; Xiao, Bo; Zhou, Li-Ming; Sun, Guang-Hui; Gao, Li-Jun; Du, Miao; Liu, Chun-Sen","Controllable assembly of copper(i)-iodide coordination polymers by tecton design of benzotriazol-1-yl-based pyridyl ligands: from 2D layer to 3D self-penetrating or homochiral networks","CrystEngComm","2010","12","7","2203","","10.1039/c002030n","","","0.71073","MoKα","","0.0407","0.024","","","0.0266","0.0273","","","","","","0.999","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212577","11.8984","0.0013","16.3498","0.0017","15.6505","0.0017","90","","95.531","0.001","90","","3030.4","0.6","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Cu2 I2 N4 -","- C12 H10 Cu2 I2 N4 -","- C96 H80 Cu16 I16 N32 -","8","1","","Fang, Shao-Ming; Zhang, Qiang; Hu, Min; Xiao, Bo; Zhou, Li-Ming; Sun, Guang-Hui; Gao, Li-Jun; Du, Miao; Liu, Chun-Sen","Controllable assembly of copper(i)-iodide coordination polymers by tecton design of benzotriazol-1-yl-based pyridyl ligands: from 2D layer to 3D self-penetrating or homochiral networks","CrystEngComm","2010","12","7","2203","","10.1039/c002030n","","","0.71073","MoKα","","0.0396","0.0352","","","0.0954","0.0978","","","","","","1.092","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212578","7.5406","0.0006","12.2655","0.001","18.374","0.0016","90","","90","","90","","1699.4","0.2","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 Cu3 I3 N4 -","- C12 H10 Cu3 I3 N4 -","- C48 H40 Cu12 I12 N16 -","4","1","","Fang, Shao-Ming; Zhang, Qiang; Hu, Min; Xiao, Bo; Zhou, Li-Ming; Sun, Guang-Hui; Gao, Li-Jun; Du, Miao; Liu, Chun-Sen","Controllable assembly of copper(i)-iodide coordination polymers by tecton design of benzotriazol-1-yl-based pyridyl ligands: from 2D layer to 3D self-penetrating or homochiral networks","CrystEngComm","2010","12","7","2203","","10.1039/c002030n","","","0.71073","MoKα","","0.0846","0.0518","","","0.0699","0.0738","","","","","","0.972","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212579","19.1014","0.0013","22.2971","0.0015","11.1094","0.0008","90","","90","","90","","4731.6","0.6","297","2","297","2","","","","","","","","6","P n n a","-P 2a 2bc","52","CF3CO2Ag-4-pyridylethynide","","","- C33 H16 Ag9 F18 N3 O14 -","- C33 H12 Ag9 F18 N3 O14 -","- C132 H48 Ag36 F72 N12 O56 -","4","0.5","","Zhang, Tianle; Hu, Yuejie; Kong, Jianxi; Meng, Xianggao; Dai, Xiaomei; Song, Hongbin","Rational assembly and luminescence properties of 2 and 3D organometallic networks using silver(i) 4-pyridylethynide and 5-pyrimidylethynide complexes as building units","CrystEngComm","2010","12","10","3027","","10.1039/c002038a","","","0.71073","MoKα","","0.0897","0.0718","","","0.1776","0.1892","","","","","","1.071","","","","has coordinates,has disorder","180456","2020-10-21","18:00:00",""
"7212580","7.83","0.0004","19.3402","0.0009","15.1026","0.0007","90","","95.725","0.001","90","","2275.64","0.19","300","2","300","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","4-Pyridylethynide-AgNO3","","","- C14 H8 Ag6 N6 O12 -","- C14 H8 Ag6 N6 O12 -","- C56 H32 Ag24 N24 O48 -","4","1","","Zhang, Tianle; Hu, Yuejie; Kong, Jianxi; Meng, Xianggao; Dai, Xiaomei; Song, Hongbin","Rational assembly and luminescence properties of 2 and 3D organometallic networks using silver(i) 4-pyridylethynide and 5-pyrimidylethynide complexes as building units","CrystEngComm","2010","12","10","3027","","10.1039/c002038a","","","0.71073","MoKα","","0.1732","0.1647","","","0.329","0.3332","","","","","","1.102","","","","has coordinates,has disorder","180456","2020-10-21","18:00:00",""
"7212581","15.5338","0.0004","16.0601","0.0005","17.2227","0.0006","90","","90","","90","","4296.6","0.2","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","5-Pyrimidylethynide-CF3CO2Ag","","","- C12 H9 Ag4 F9 N2 O9 -","- C12 H9 Ag4 F9 N2 O9 -","- C96 H72 Ag32 F72 N16 O72 -","8","1","","Zhang, Tianle; Hu, Yuejie; Kong, Jianxi; Meng, Xianggao; Dai, Xiaomei; Song, Hongbin","Rational assembly and luminescence properties of 2 and 3D organometallic networks using silver(i) 4-pyridylethynide and 5-pyrimidylethynide complexes as building units","CrystEngComm","2010","12","10","3027","","10.1039/c002038a","","","0.71073","MoKα","","0.0548","0.0395","","","0.0855","0.0892","","","","","","0.945","","","","has coordinates,has disorder","180456","2020-10-21","18:00:00",""
"7212582","7.9993","0.0005","11.2241","0.0008","16.2302","0.0011","90","","96.836","0.001","90","","1446.87","0.17","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","AgNO3-5-pyrimidylethynide","","","- C6 H5 Ag4 N5 O10 -","- C6 H3 Ag4 N5 O10 -","- C24 H12 Ag16 N20 O40 -","4","1","","Zhang, Tianle; Hu, Yuejie; Kong, Jianxi; Meng, Xianggao; Dai, Xiaomei; Song, Hongbin","Rational assembly and luminescence properties of 2 and 3D organometallic networks using silver(i) 4-pyridylethynide and 5-pyrimidylethynide complexes as building units","CrystEngComm","2010","12","10","3027","","10.1039/c002038a","","","0.71073","MoKα","","0.0624","0.0522","","","0.1436","0.1684","","","","","","1.145","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212583","17.4139","0.0011","13.3693","0.0008","18.4844","0.001","90","","90.492","0.002","90","","4303.2","0.4","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","215077 (3694-81-02)","","- C24 H26 N4 O5 -","- C24 H26 N4 O5 -","- C192 H208 N32 O40 -","8","2","","Schultheiss, Nate; Bethune, Sarah; Henck, Jan-Olav","Nutraceutical cocrystals: utilizing pterostilbene as a cocrystal former","CrystEngComm","2010","12","8","2436","","10.1039/c002045a","","","0.71073","MoKα","","0.0935","0.0581","","","0.1606","0.1833","","","","","","1.064","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212584","17.424","0.002","26.809","0.004","18.546","0.002","90","","90.225","0.005","90","","8663.1","1.9","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","204542","","- C24 H26 N4 O5 -","- C24 H26 N4 O5 -","- C384 H416 N64 O80 -","16","4","","Schultheiss, Nate; Bethune, Sarah; Henck, Jan-Olav","Nutraceutical cocrystals: utilizing pterostilbene as a cocrystal former","CrystEngComm","2010","12","8","2436","","10.1039/c002045a","","","0.71073","MoKα","","0.1316","0.0728","","","0.1796","0.2094","","","","","","1.028","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212585","38.809","0.003","5.3921","0.0004","26.7284","0.0017","90","","117.306","0.003","90","","4970","0.6","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","205650","","- C31 H28 N2 O4 -","- C31 H28 N2 O4 -","- C248 H224 N16 O32 -","8","1","","Schultheiss, Nate; Bethune, Sarah; Henck, Jan-Olav","Nutraceutical cocrystals: utilizing pterostilbene as a cocrystal former","CrystEngComm","2010","12","8","2436","","10.1039/c002045a","","","0.71073","MoKα","","0.0882","0.0515","","","0.1208","0.1361","","","","","","1.085","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212586","13.5399","0.0006","13.5399","0.0006","17.0465","0.0014","90","","90","","120","","2706.4","0.3","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C24 H13 N6 O27.5 Tb2 -","- C24 H6 N6 O27.5 Tb2 -","- C72 H18 N18 O82.5 Tb6 -","3","0.166667","","Thuéry, Pierre; Masci, Bernardo","Lanthanide‒organic assemblies with pyrazinetetracarboxylic and benzophenone-3,3′,4,4′-tetracarboxylic acids","CrystEngComm","2010","12","10","2982","","10.1039/c002054k","","","0.71073","MoKα","","0.0369","0.0332","","","0.0909","0.0939","","","","","","1.097","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212587","15.4","0.001","6.7287","0.0003","14.252","0.001","90","","90","","90","","1476.82","0.16","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C8 H8 Eu K N2 O12 -","- C8 H2 Eu K N2 O12 -","- C32 H8 Eu4 K4 N8 O48 -","4","0.5","","Thuéry, Pierre; Masci, Bernardo","Lanthanide‒organic assemblies with pyrazinetetracarboxylic and benzophenone-3,3′,4,4′-tetracarboxylic acids","CrystEngComm","2010","12","10","2982","","10.1039/c002054k","","","0.71073","MoKα","","0.0603","0.0546","","","0.1448","0.1489","","","","","","1.081","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212588","7.3656","0.0008","10.0285","0.0014","12.687","0.002","73.074","0.007","83.655","0.009","83.857","0.009","888.3","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H15 Eu O13 -","- C17 H13 Eu O13 -","- C34 H26 Eu2 O26 -","2","1","","Thuéry, Pierre; Masci, Bernardo","Lanthanide‒organic assemblies with pyrazinetetracarboxylic and benzophenone-3,3′,4,4′-tetracarboxylic acids","CrystEngComm","2010","12","10","2982","","10.1039/c002054k","","","0.71073","MoKα","","0.0808","0.0714","","","0.203","0.2102","","","","","","1.077","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212589","7.339","0.0012","10.0486","0.0017","12.6313","0.0019","72.917","0.005","83.391","0.007","83.719","0.007","881.7","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H15 Gd O13 -","- C17 H13 Gd O13 -","- C34 H26 Gd2 O26 -","2","1","","Thuéry, Pierre; Masci, Bernardo","Lanthanide‒organic assemblies with pyrazinetetracarboxylic and benzophenone-3,3′,4,4′-tetracarboxylic acids","CrystEngComm","2010","12","10","2982","","10.1039/c002054k","","","0.71073","MoKα","","0.1156","0.085","","","0.2279","0.249","","","","","","1","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212590","7.3207","0.0007","10.0387","0.0012","12.6282","0.0018","72.998","0.006","83.552","0.007","83.817","0.007","879.13","0.19","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H15 O13 Tb -","- C17 H13 O13 Tb -","- C34 H26 O26 Tb2 -","2","1","","Thuéry, Pierre; Masci, Bernardo","Lanthanide‒organic assemblies with pyrazinetetracarboxylic and benzophenone-3,3′,4,4′-tetracarboxylic acids","CrystEngComm","2010","12","10","2982","","10.1039/c002054k","","","0.71073","MoKα","","0.0853","0.0666","","","0.1737","0.1829","","","","","","1.041","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212591","41.327","0.008","9.79","0.002","16.801","0.003","90","","103.67","0.03","90","","6605","2","180","2","180","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H24 Cl2 Fe N12 O8 -","- C32 H24 Cl2 Fe N12 O8 -","- C256 H192 Cl16 Fe8 N96 O64 -","8","1","","Šalitroš, Ivan; Pavlik, Ján; Boča, Roman; Fuhr, Olaf; Rajadurai, Chandrasekar; Ruben, Mario","Supramolecular lattice-solvent control of iron(ii) spin transition parameters","CrystEngComm","2010","12","8","2361","","10.1039/c002082f","","","0.71073","MoKα","","0.1265","0.0647","","","0.1375","0.1617","","","","","","0.93","","","","has coordinates,has disorder","180456","2020-10-21","18:00:00",""
"7212592","41.196","0.008","9.874","0.002","16.528","0.003","90","","104.03","0.03","90","","6523","2","180","2","180","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H24 B2 F8 Fe N12 -","- C32 H24 B2 F8 Fe N12 -","- C256 H192 B16 F64 Fe8 N96 -","8","1","","Šalitroš, Ivan; Pavlik, Ján; Boča, Roman; Fuhr, Olaf; Rajadurai, Chandrasekar; Ruben, Mario","Supramolecular lattice-solvent control of iron(ii) spin transition parameters","CrystEngComm","2010","12","8","2361","","10.1039/c002082f","","","0.71073","MoKα","","0.0744","0.0639","","","0.1774","0.1857","","","","","","1.045","","","","has coordinates,has disorder","180456","2020-10-21","18:00:00",""
"7212593","15.177","0.003","17.099","0.0019","16.797","0.003","90","","111.742","0.014","90","","4048.9","1.2","180","2","180","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 B3 F12 Fe N13 O -","- C34 H30 B3 F12 Fe N13 O -","- C136 H120 B12 F48 Fe4 N52 O4 -","4","1","","Šalitroš, Ivan; Pavlik, Ján; Boča, Roman; Fuhr, Olaf; Rajadurai, Chandrasekar; Ruben, Mario","Supramolecular lattice-solvent control of iron(ii) spin transition parameters","CrystEngComm","2010","12","8","2361","","10.1039/c002082f","","","0.71073","MoKα","","0.082","0.0739","","","0.2034","0.2111","","","","","","1.046","","","","has coordinates,has disorder","180456","2020-10-21","18:00:00",""
"7212594","10.2557","0.0012","14.7071","0.0019","14.8141","0.0018","90.327","0.01","90.161","0.01","97.787","0.01","2213.8","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H46 O16 Pr2 -","- C46 H46 O16 Pr2 -","- C92 H92 O32 Pr4 -","2","1","","Nayak, Sanjit; Kostakis, George E.; Anson, Christopher E.; Powell, Annie K.","[Ln2(PhCO2)6(MeOH)4] (Ln = Pr, Nd, Gd): the effect of lanthanide radius on network dimensionality","CrystEngComm","2010","12","10","3008","","10.1039/c002284e","","","0.71073","MoKα","","0.1089","0.0698","","","0.1646","0.1783","","","","","","0.992","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212595","10.14","0.0006","15.063","0.0015","16.577","0.0018","94.96","0.008","104.473","0.008","92.006","0.007","2438.2","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H66 Eu2 Fe4 N30 O20 -","- C72 H38 Eu2 Fe4 N30 O20 -","- C72 H38 Eu2 Fe4 N30 O20 -","1","0.5","","Visinescu, Diana; Fabelo, Oscar; Ruiz-Pérez, Catalina; Lloret, Francesc; Julve, Miguel","[Fe(phen)(CN)4]−: a suitable metalloligand unit to build 3d‒4f heterobimetallic complexes with mixed bpym-cyano bridges (phen = 1,10-phenantroline, bpym = 2,2′-bipyrimidine)","CrystEngComm","2010","12","8","2454","","10.1039/c002305a","","x-ray","0.71073","MoKα","","0.0552","0.0385","","","0.0976","0.1075","","","","","","1.091","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212596","10.1241","0.0006","14.9965","0.0012","16.4861","0.001","94.712","0.007","104.484","0.005","92.13","0.005","2411","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H74 Fe4 Gd2 N30 O23 -","- C72 H38 Fe4 Gd2 N30 O23 -","- C72 H38 Fe4 Gd2 N30 O23 -","1","0.5","","Visinescu, Diana; Fabelo, Oscar; Ruiz-Pérez, Catalina; Lloret, Francesc; Julve, Miguel","[Fe(phen)(CN)4]−: a suitable metalloligand unit to build 3d‒4f heterobimetallic complexes with mixed bpym-cyano bridges (phen = 1,10-phenantroline, bpym = 2,2′-bipyrimidine)","CrystEngComm","2010","12","8","2454","","10.1039/c002305a","","x-ray","0.71073","MoKα","","0.0354","0.0303","","","0.0841","0.0895","","","","","","1.126","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212597","10.066","0.001","15.011","0.0013","16.587","0.0007","94.664","0.005","104.432","0.006","92.157","0.01","2414.8","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H66 Dy2 Fe4 N30 O20 -","- C72 H38 Dy2 Fe4 N30 O20 -","- C72 H38 Dy2 Fe4 N30 O20 -","1","0.5","","Visinescu, Diana; Fabelo, Oscar; Ruiz-Pérez, Catalina; Lloret, Francesc; Julve, Miguel","[Fe(phen)(CN)4]−: a suitable metalloligand unit to build 3d‒4f heterobimetallic complexes with mixed bpym-cyano bridges (phen = 1,10-phenantroline, bpym = 2,2′-bipyrimidine)","CrystEngComm","2010","12","8","2454","","10.1039/c002305a","","x-ray","0.71073","MoKα","","0.0346","0.0264","","","0.0729","0.0791","","","","","","1.123","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212598","10.045","0.0009","15.013","0.001","16.629","0.0015","95.024","0.004","104.536","0.004","92.254","0.005","2413.3","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H66 Fe4 Ho2 N30 O20 -","- C72 H38 Fe4 Ho2 N30 O20 -","- C72 H38 Fe4 Ho2 N30 O20 -","1","0.5","","Visinescu, Diana; Fabelo, Oscar; Ruiz-Pérez, Catalina; Lloret, Francesc; Julve, Miguel","[Fe(phen)(CN)4]−: a suitable metalloligand unit to build 3d‒4f heterobimetallic complexes with mixed bpym-cyano bridges (phen = 1,10-phenantroline, bpym = 2,2′-bipyrimidine)","CrystEngComm","2010","12","8","2454","","10.1039/c002305a","","x-ray","0.71073","MoKα","","0.08","0.0651","","","0.19","0.2029","","","","","","1.302","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212599","17.5941","0.0019","8.5724","0.0009","16.3844","0.0018","90","","106.052","0.002","90","","2374.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H46 Co3 N12 O14 -","- C48 H46 Co3 N12 O14 -","- C96 H92 Co6 N24 O28 -","2","0.5","","Su, Zhi; Song, You; Bai, Zheng-Shuai; Fan, Jian; Liu, Guang-Xiang; Sun, Wei-Yin","Unprecedented three-dimensional 10-connected bct nets based on trinuclear secondary building units and their magnetic behavior","CrystEngComm","2010","12","12","4339","","10.1039/c002366c","","","0.71073","MoKα","","0.037","0.0337","","","0.0839","0.0856","","","","","","1.05","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212600","18.3958","0.0016","8.4767","0.0007","16.6419","0.0014","90","","108.424","0.001","90","","2462.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H47.82 Mn3 N12 O14.92 -","- C48 H42 Mn3 N12 O14.922 -","- C96 H84 Mn6 N24 O29.844 -","2","0.5","","Su, Zhi; Song, You; Bai, Zheng-Shuai; Fan, Jian; Liu, Guang-Xiang; Sun, Wei-Yin","Unprecedented three-dimensional 10-connected bct nets based on trinuclear secondary building units and their magnetic behavior","CrystEngComm","2010","12","12","4339","","10.1039/c002366c","","","0.71073","MoKα","","0.0447","0.0409","","","0.1025","0.1049","","","","","","1.061","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212601","17.4216","0.0015","8.507","0.0007","16.3463","0.0014","90","","106.566","0.001","90","","2322.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H46 N12 Ni3 O14 -","- C48 H42 N12 Ni3 O14 -","- C96 H84 N24 Ni6 O28 -","2","0.5","","Su, Zhi; Song, You; Bai, Zheng-Shuai; Fan, Jian; Liu, Guang-Xiang; Sun, Wei-Yin","Unprecedented three-dimensional 10-connected bct nets based on trinuclear secondary building units and their magnetic behavior","CrystEngComm","2010","12","12","4339","","10.1039/c002366c","","","0.71073","MoKα","","0.0375","0.0355","","","0.0989","0.1003","","","","","","1.081","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212602","12.424","0.003","27.645","0.006","14.359","0.003","90","","93.55","0.03","90","","4922.3","1.9","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C92 H88 F12 N6 O22 Ru4 S4 -","- C92 H84 F12 N6 O22 Ru4 S4 -","- C184 H168 F24 N12 O44 Ru8 S8 -","2","1","","Linares, Fátima; Procopio, Elsa Quartapelle; Galindo, Miguel A.; Romero, M. Angustias; Navarro, Jorge A. R.; Barea, Elisa","Molecular architecture of redox-active half-sandwich Ru(ii) cyclic assemblies. Interactions with biomolecules and anticancer activity","CrystEngComm","2010","12","8","2343","","10.1039/c002411b","","","0.71073","MoKα","","0.0664","0.0541","","","0.1387","0.1519","","","","","","0.953","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212603","9.54","0.003","10.457","0.004","10.605","0.004","73.863","0.007","63.928","0.007","64.003","0.006","849.4","0.5","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H30 N4 O8 Rh2 -","- C36 H30 N4 O8 Rh2 -","- C36 H30 N4 O8 Rh2 -","1","0.5","","Takamizawa, Satoshi; Miyake, Ryosuke","Acetonitrile vapour inclusion in single-crystal adsorbents [MII2(bza)4(pyz)]n (MII = Rh, Cu)","CrystEngComm","2010","12","10","2728","","10.1039/c002569k","","","0.71073","MoKα","","0.0826","0.0584","","","0.1775","0.1965","","","","","","1.185","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212604","12.2892","0.0015","11.0889","0.0014","16.49","0.002","90","","110.129","0.014","90","","2109.9","0.5","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C38 H34 Cu3 N6 O23 -","- C38 H30 Cu3 N6 O23 -","- C76 H60 Cu6 N12 O46 -","2","0.5","","Yan, Si-Tang; Shi, Lian-Xu; Sun, Fei-Fei; Wu, Chuan-De","The roles of the coordination modes of bridging ligands for the formation of two 3D metal‒organic coordination networks","CrystEngComm","2010","12","11","3437","","10.1039/c002573a","","","0.71073","MoKα","","0.119","0.0507","","","0.0788","0.0851","","","","","","0.912","","","","has coordinates,has disorder","180457","2020-10-21","18:00:00",""
"7212605","14.4711","0.0003","14.6161","0.0003","17.8745","0.0005","90","","90.238","0.002","90","","3780.62","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 N4 O27 Zn4 -","- C28 H32 N4 O27 Zn4 -","- C112 H128 N16 O108 Zn16 -","4","1","","Yan, Si-Tang; Shi, Lian-Xu; Sun, Fei-Fei; Wu, Chuan-De","The roles of the coordination modes of bridging ligands for the formation of two 3D metal‒organic coordination networks","CrystEngComm","2010","12","11","3437","","10.1039/c002573a","","","0.71073","MoKα","","0.0555","0.0307","","","0.0677","0.0708","","","","","","0.941","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212606","8.9116","0.0018","9.2445","0.0018","18.724","0.004","103.92","0.03","92.14","0.03","109.46","0.03","1400","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H34 Co N6 O19 Zn2 -","- C13 H24 Co N6 O19 Zn2 -","- C26 H48 Co2 N12 O38 Zn4 -","2","1","","Pan, Qinhe; Chen, Qiang; Song, Wei-Chao; Hu, Tong-Liang; Bu, Xian-He","Template-directed synthesis of three new open-framework metal(ii) oxalates using Co(iii) complex as template","CrystEngComm","2010","12","12","4198","","10.1039/c002658a","","","0.71073","MoKα","","0.1445","0.0811","","","0.1298","0.1491","","","","","","1.091","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212607","13.133","0.003","22.41","0.005","10.267","0.002","90","","98.96","0.03","90","","2984.8","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H38 Co Mn2 N6 O20 -","- C15 H26 Co Mn2 N6 O20 -","- C60 H104 Co4 Mn8 N24 O80 -","4","1","","Pan, Qinhe; Chen, Qiang; Song, Wei-Chao; Hu, Tong-Liang; Bu, Xian-He","Template-directed synthesis of three new open-framework metal(ii) oxalates using Co(iii) complex as template","CrystEngComm","2010","12","12","4198","","10.1039/c002658a","","","0.71073","MoKα","","0.1283","0.0817","","","0.1454","0.1635","","","","","","1.117","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212608","16.955","0.003","9.543","0.0019","18.549","0.004","90","","90.01","0.03","90","","3001.3","1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H35 Cd2 Co N6 O19.5 -","- C15 H26 Cd2 Co N6 O19.5 -","- C60 H104 Cd8 Co4 N24 O78 -","4","1","","Pan, Qinhe; Chen, Qiang; Song, Wei-Chao; Hu, Tong-Liang; Bu, Xian-He","Template-directed synthesis of three new open-framework metal(ii) oxalates using Co(iii) complex as template","CrystEngComm","2010","12","12","4198","","10.1039/c002658a","","","0.71073","MoKα","","0.1363","0.0823","","","0.1295","0.1452","","","","","","1.145","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212609","17.124","0.003","17.124","0.003","5.3921","0.0012","90","","90","","90","","1581.1","0.5","293","2","293","2","","","","","","","","6","P 4 21 2","P 4ab 2ab","90","","","","- C24 H33 Cd2 Cl N8 O16 -","- C24 H33 Cd2 Cl N8 O16 -","- C48 H66 Cd4 Cl2 N16 O32 -","2","0.25","","Sang, Rui-Li; Xu, Li","Helix-based supramolecular isomerism of metal‒organic framework","CrystEngComm","2010","12","11","3579","","10.1039/c002677h","","","0.71073","MoKα","","0.0339","0.0318","","","0.0871","0.0891","","","","","","1.103","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212610","16.007","0.0004","16.007","0.0004","24.156","0.001","90","","90","","90","","6189.3","0.3","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C12 H16 Cd N4 O6 -","- C12 H16 Cd N4 O6 -","- C192 H256 Cd16 N64 O96 -","16","1","","Sang, Rui-Li; Xu, Li","Helix-based supramolecular isomerism of metal‒organic framework","CrystEngComm","2010","12","11","3579","","10.1039/c002677h","","","0.71073","MoKα","","0.0316","0.0311","","","0.071","0.0713","","","","","","1.073","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212611","8.44","0.0005","9.8301","0.0006","18.3307","0.0011","90","","116.651","0.004","90","","1359.25","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(1,1'-di(propinate)-2,2'-biimidazole)cadmium(ii) (aqua)","[1,1'-di(propinate)-2,2'-biimidazole]cadmium(II) (aqua)","","- C12 H14 Cd N4 O5 -","- C12 H14 Cd N4 O5 -","- C48 H56 Cd4 N16 O20 -","4","1","","Sang, Rui-Li; Xu, Li","Helix-based supramolecular isomerism of metal‒organic framework","CrystEngComm","2010","12","11","3579","","10.1039/c002677h","","","0.71073","MoKα","","0.0325","0.0293","","","0.0664","0.0682","","","","","","1.121","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212612","12.579","0.002","7.7219","0.0019","14.126","0.0015","90","","111.218","0.01","90","","1279.1","0.4","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Zeta CL-20 at 3.3 GPa","","","- C6 H6 N12 O12 -","- C6 H6 N12 O12 -","- C24 H24 N48 O48 -","4","1","","Millar, David I. A.; Maynard-Casely, Helen E.; Kleppe, Annette K.; Marshall, William G.; Pulham, Colin R.; Cumming, Adam S.","Putting the squeeze on energetic materials—structural characterisation of a high-pressure phase of CL-20","CrystEngComm","2010","12","9","2524","","10.1039/c002701d","","","0.71073","MoKα","","0.1673","0.0877","","0.1665","0.0885","0.0885","","","","","","1.1244","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212613","8.7099","0.0005","14.3387","0.0008","14.4473","0.0008","65.513","0.004","83.514","0.005","74.337","0.004","1581.04","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H30 Ag2 O4 -","- C40 H30 Ag2 O4 -","- C80 H60 Ag4 O8 -","2","1","","Akhbari, Kamran; Morsali, Ali","Silver nanofibers from the nanorods of one-dimensional organometallic coordination polymers","CrystEngComm","2010","12","11","3394","","10.1039/c002740e","","","0.71073","MoKα","","0.0466","0.0404","","","0.1003","0.1036","","","","","","1.035","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212615","15.6887","0.0003","15.6887","0.0003","22.2702","0.0008","90","","90","","120","","4747.1","0.2","150","","150","","","","","","","","CMs8","6","P -3 c 1","-P 3 2""c","165","","","","- C42 H42 Cl Mn3 N6 O14 -","- C39 H30 Cl Mn3 N6 O11 -","- C156 H120 Cl4 Mn12 N24 O44 -","4","0.333333","","Inglis, Ross; Katsenis, Athanassios D.; Collins, Anna; White, Fraser; Milios, Constantinos J.; Papaefstathiou, Giannis S.; Brechin, Euan K.","Assembling molecular triangles into discrete and infinite architectures","CrystEngComm","2010","12","7","2064","","10.1039/c002761h","","","0.71073","MoKα","","0.1095","0.0666","","0.1807","0.137","0.1807","","","","","","0.7718","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212616","13.4841","0.0004","18.4592","0.0005","19.6489","0.0006","90","","104.358","0.002","90","","4738","0.2","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C96 H94 Mn6 N10 O20 -","- C96 H94 Mn6 N10 O20 -","- C192 H188 Mn12 N20 O40 -","2","0.5","","Inglis, Ross; Katsenis, Athanassios D.; Collins, Anna; White, Fraser; Milios, Constantinos J.; Papaefstathiou, Giannis S.; Brechin, Euan K.","Assembling molecular triangles into discrete and infinite architectures","CrystEngComm","2010","12","7","2064","","10.1039/c002761h","","","0.71073","MoKα","","0.1119","0.0717","","0.1737","0.1528","0.1737","","","","","","0.9928","","","","has coordinates,has disorder","180457","2020-10-21","18:00:00",""
"7212617","21.4412","0.0013","21.4412","0.0013","28.5829","0.0017","90","","90","","120","","11379.8","1.2","150","2","150","2","","","","","","","Ross Inglis","6","R -3 :H","-R 3","148","","","","- C164 H141 Cl7 Mn6 N12 O27 -","- C162 H132 Cl7 Mn6 N12 O25.02 -","- C486 H396 Cl21 Mn18 N36 O75.06 -","3","0.166667","","Inglis, Ross; Katsenis, Athanassios D.; Collins, Anna; White, Fraser; Milios, Constantinos J.; Papaefstathiou, Giannis S.; Brechin, Euan K.","Assembling molecular triangles into discrete and infinite architectures","CrystEngComm","2010","12","7","2064","","10.1039/c002761h","","","0.71073","MoKα","","0.0879","0.0656","","","0.1771","0.1929","","","","","","1.037","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7212618","21.4257","0.0004","21.4257","0.0004","28.5757","0.0006","90","","90","","120","","11360.5","0.4","150","2","150","2","","","","","","","Ross Inglis","5","R -3 :H","-R 3","148","","","","- C174 H163 Mn6 N13 O24 -","- C174 H163 Mn6 N13 O24.02 -","- C522 H489 Mn18 N39 O72.06 -","3","0.166667","","Inglis, Ross; Katsenis, Athanassios D.; Collins, Anna; White, Fraser; Milios, Constantinos J.; Papaefstathiou, Giannis S.; Brechin, Euan K.","Assembling molecular triangles into discrete and infinite architectures","CrystEngComm","2010","12","7","2064","","10.1039/c002761h","","","0.71073","MoKα","","0.0591","0.0511","","","0.1325","0.1385","","","","","","1.131","","","","has coordinates,has disorder","180457","2020-10-21","18:00:00",""
"7212619","27.8361","0.001","15.6707","0.0006","30.6046","0.0012","90","","112.593","0.002","90","","12325.5","0.8","150","2","150","2","","","","","","","Ross Inglis","6","C 1 2/c 1","-C 2yc","15","","","","- C214 H248 Cl4 Mn12 N28 O58 -","- C214 H248 Cl4 Mn12 N28 O58 -","- C428 H496 Cl8 Mn24 N56 O116 -","2","0.25","","Inglis, Ross; Katsenis, Athanassios D.; Collins, Anna; White, Fraser; Milios, Constantinos J.; Papaefstathiou, Giannis S.; Brechin, Euan K.","Assembling molecular triangles into discrete and infinite architectures","CrystEngComm","2010","12","7","2064","","10.1039/c002761h","","","0.71073","MoKα","","0.0983","0.0877","","","0.2198","0.2261","","","","","","1.099","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212620","31.652","0.006","13.133","0.003","17.79","0.004","90","","112.62","0.03","90","","6826","3","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C66 H58 Cu2 F12 N12 P2 S6 -","- C66 H58 Cu2 F12 N12 P2 S6 -","- C264 H232 Cu8 F48 N48 P8 S24 -","4","0.5","","Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Price, Jason R.; Zampese, Jennifer A.","Redox addressable ligands in copper(i) coordination chemistry: thione and oligosulfide-bridged 6-methyl-2,2′-bipyridines","CrystEngComm","2010","12","10","2928","","10.1039/c002827d","","","0.71073","MoKα","","0.0513","0.0458","","","0.1126","0.116","","","","","","1.117","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7212621","8.15","0.0002","9.9823","0.0002","24.1761","0.0005","90","","95.3134","0.001","90","","1958.41","0.07","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 N4 S2 -","- C22 H18 N4 S2 -","- C88 H72 N16 S8 -","4","1","","Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Price, Jason R.; Zampese, Jennifer A.","Redox addressable ligands in copper(i) coordination chemistry: thione and oligosulfide-bridged 6-methyl-2,2′-bipyridines","CrystEngComm","2010","12","10","2928","","10.1039/c002827d","","","0.71073","MoKα","","0.0703","0.0338","","0.0595","0.0408","0.0408","","","","","","0.953","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212622","13.116","0.0005","15.6202","0.0004","15.8881","0.0005","64.7657","0.0019","74.9436","0.0017","82.34","0.002","2842.41","0.17","173","","173","","","","","","","","","8","P -1","-P 1","2","","","","- C46 H42 Cu2 F12 N10 O4 P2 S6 -","- C46 H42 Cu2 F12 N10 O4 P2 S6 -","- C92 H84 Cu4 F24 N20 O8 P4 S12 -","2","1","","Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Price, Jason R.; Zampese, Jennifer A.","Redox addressable ligands in copper(i) coordination chemistry: thione and oligosulfide-bridged 6-methyl-2,2′-bipyridines","CrystEngComm","2010","12","10","2928","","10.1039/c002827d","","","0.71073","MoKα","","0.121","0.0673","","0.0928","0.0518","0.0518","","","","","","0.9867","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212623","8.8298","0.0003","9.2158","0.0003","16.7316","0.0006","95.463","0.002","99.365","0.001","106.123","0.001","1276.29","0.08","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C22 H22 Cl4 Cu N4 O S2 -","- C22 H22 Cl4 Cu N4 O S2 -","- C44 H44 Cl8 Cu2 N8 O2 S4 -","2","1","","Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Price, Jason R.; Zampese, Jennifer A.","Redox addressable ligands in copper(i) coordination chemistry: thione and oligosulfide-bridged 6-methyl-2,2′-bipyridines","CrystEngComm","2010","12","10","2928","","10.1039/c002827d","","","0.71073","MoKα","","0.025","0.0212","","0.0216","0.0189","0.0189","","","","","","1.0669","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212624","10.7126","0.0008","13.4955","0.001","7.1375","0.0006","90","","107.011","0.003","90","","986.74","0.13","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 N2 S -","- C11 H10 N2 S -","- C44 H40 N8 S4 -","4","1","","Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Price, Jason R.; Zampese, Jennifer A.","Redox addressable ligands in copper(i) coordination chemistry: thione and oligosulfide-bridged 6-methyl-2,2′-bipyridines","CrystEngComm","2010","12","10","2928","","10.1039/c002827d","","","0.71073","MoKα","","0.143","0.1118","","0.0992","0.0915","0.0899","","","","","","0.8362","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212625","13.7648","0.0002","13.7648","0.0002","23.6808","0.0006","90","","90","","90","","4486.79","0.15","173","","173","","","","","","","","","7","P 42/n :2","-P 4bc","86","","","","- C44 H40 Cu F6 N8 P S4 -","- C44 H40 Cu F6 N8 P S4 -","- C176 H160 Cu4 F24 N32 P4 S16 -","4","0.5","","Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Price, Jason R.; Zampese, Jennifer A.","Redox addressable ligands in copper(i) coordination chemistry: thione and oligosulfide-bridged 6-methyl-2,2′-bipyridines","CrystEngComm","2010","12","10","2928","","10.1039/c002827d","","","0.71073","MoKα","","0.0583","0.0262","","0.0601","0.0304","0.0304","","","","","","1.0384","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212626","21.0221","0.0013","13.092","0.0006","14.5647","0.0009","90","","109.382","0.007","90","","3781.3","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 F6 P2 -","- C19 H18 F6 P2 -","- C152 H144 F48 P16 -","8","2","","Ling, Irene; Alias, Yatimah; Sobolev, Alexandre N.; Raston, Colin L.","Hirshfeld surface analysis of phosphonium salts","CrystEngComm","2010","12","12","4321","","10.1039/c002832k","","","1.54178","CuKα","","0.1241","0.1045","","","0.2974","0.3091","","","","","","1.004","","","","has coordinates,has disorder","180457","2020-10-21","18:00:00",""
"7212627","10.496","0.0005","13.6086","0.0006","13.6691","0.0011","87.766","0.005","87.959","0.005","74.793","0.004","1882","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H18 F6 P2 -","- C19 H18 F6 P2 -","- C76 H72 F24 P8 -","4","2","","Ling, Irene; Alias, Yatimah; Sobolev, Alexandre N.; Raston, Colin L.","Hirshfeld surface analysis of phosphonium salts","CrystEngComm","2010","12","12","4321","","10.1039/c002832k","","","0.71073","MoKα","","0.1447","0.1249","","","0.3227","0.3317","","","","","","1.003","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212628","16.946","0.002","16.946","","14.303","0.002","90","","90","","90","","4107.3","0.8","100","2","100","2","","","","","","","","4","I -4","I -4","82","","","","- C26 H20 N3 P -","- C26 H20 N3 P -","- C208 H160 N24 P8 -","8","1","","Ling, Irene; Alias, Yatimah; Sobolev, Alexandre N.; Raston, Colin L.","Hirshfeld surface analysis of phosphonium salts","CrystEngComm","2010","12","12","4321","","10.1039/c002832k","","","0.71073","MoKα","","0.0487","0.0381","","","0.0793","0.0813","","","","","","1","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212629","12.9268","0.0001","12.2301","0.0001","13.3369","0.0001","90","","91.491","0.001","90","","2107.8","0.03","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 N P S -","- C26 H22 N P S -","- C104 H88 N4 P4 S4 -","4","1","","Ling, Irene; Alias, Yatimah; Sobolev, Alexandre N.; Raston, Colin L.","Hirshfeld surface analysis of phosphonium salts","CrystEngComm","2010","12","12","4321","","10.1039/c002832k","","","0.71073","MoKα","","0.0687","0.0509","","","0.1374","0.1434","","","","","","1.015","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212630","9.9669","0.0002","9.9669","","40.3361","0.0006","90","","90","","120","","3470.12","0.09","100","2","100","2","","","","","","","","4","P 61","P 61","169","","","","- C25 H22 F6 P2 -","- C25 H22 F6 P2 -","- C150 H132 F36 P12 -","6","1","","Ling, Irene; Alias, Yatimah; Sobolev, Alexandre N.; Raston, Colin L.","Hirshfeld surface analysis of phosphonium salts","CrystEngComm","2010","12","12","4321","","10.1039/c002832k","","","0.71073","MoKα","","0.0538","0.0417","","","0.1038","0.1068","","","","","","1.005","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212631","11.2246","0.0004","19.4426","0.0007","11.2114","0.0004","90","","105.701","0.004","90","","2355.43","0.15","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 F3 O3 P S -","- C26 H22 F3 O3 P S -","- C104 H88 F12 O12 P4 S4 -","4","1","","Ling, Irene; Alias, Yatimah; Sobolev, Alexandre N.; Raston, Colin L.","Hirshfeld surface analysis of phosphonium salts","CrystEngComm","2010","12","12","4321","","10.1039/c002832k","","","0.71073","MoKα","","0.0573","0.0363","","","0.0906","0.0955","","","","","","1.003","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212632","9.7892","0.0004","11.4559","0.0006","21.464","0.001","88.629","0.004","86.009","0.003","75.805","0.004","2327.85","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H22 F3 O3 P S -","- C26 H22 F3 O3 P S -","- C104 H88 F12 O12 P4 S4 -","4","2","","Ling, Irene; Alias, Yatimah; Sobolev, Alexandre N.; Raston, Colin L.","Hirshfeld surface analysis of phosphonium salts","CrystEngComm","2010","12","12","4321","","10.1039/c002832k","","","0.71073","MoKα","","0.0974","0.0412","","","0.0605","0.0685","","","","","","0.8","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212633","9.9176","0.0004","13.7706","0.0006","14.1618","0.0006","90","","96.951","0.004","90","","1919.88","0.14","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H38 N6 P2 -","- C48 H38 N6 P2 -","- C96 H76 N12 P4 -","2","0.5","","Ling, Irene; Alias, Yatimah; Sobolev, Alexandre N.; Raston, Colin L.","Hirshfeld surface analysis of phosphonium salts","CrystEngComm","2010","12","12","4321","","10.1039/c002832k","","","0.71073","MoKα","","0.0544","0.0395","","","0.1134","0.1186","","","","","","1.004","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212634","9.8685","0.0002","14.9561","0.0004","14.2387","0.0004","90","","97.885","0.002","90","","2081.68","0.09","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C52 H38 N6 P2 -","- C52 H38 N6 P2 -","- C104 H76 N12 P4 -","2","0.5","","Ling, Irene; Alias, Yatimah; Sobolev, Alexandre N.; Raston, Colin L.","Hirshfeld surface analysis of phosphonium salts","CrystEngComm","2010","12","12","4321","","10.1039/c002832k","","","0.71073","MoKα","","0.069","0.0407","","","0.0841","0.0879","","","","","","1.006","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212635","9.5923","0.0005","11.4243","0.0006","12.2741","0.0006","107.982","0.005","90.275","0.004","101.322","0.004","1251.37","0.12","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H38 F12 N2 O8 P2 S4 -","- C48 H38 F12 N2 O8 P2 S4 -","- C48 H38 F12 N2 O8 P2 S4 -","1","0.5","","Ling, Irene; Alias, Yatimah; Sobolev, Alexandre N.; Raston, Colin L.","Hirshfeld surface analysis of phosphonium salts","CrystEngComm","2010","12","12","4321","","10.1039/c002832k","","","0.71073","MoKα","","0.0649","0.0401","","","0.1011","0.1089","","","","","","1.004","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212636","18.438","0.001","14.6101","0.0008","19.745","0.001","90","","93","0.007","90","","5311.6","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H38 F12 N2 O8 P2 S4 -","- C48 H38 F12 N2 O8 P2 S4 -","- C192 H152 F48 N8 O32 P8 S16 -","4","1","","Ling, Irene; Alias, Yatimah; Sobolev, Alexandre N.; Raston, Colin L.","Hirshfeld surface analysis of phosphonium salts","CrystEngComm","2010","12","12","4321","","10.1039/c002832k","","","0.71073","MoKα","","0.1628","0.0792","","","0.1899","0.2174","","","","","","1.005","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212637","18.9611","0.0017","9.3533","0.0009","19.6865","0.0018","90","","102.36","0.004","90","","3410.5","0.5","173","","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 Co F12 N6 O2 P2 -","- C32 H26 Co F12 N6 O2 P2 -","- C128 H104 Co4 F48 N24 O8 P8 -","4","1","","Constable, Edwin C.; Harris, Kate; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Turning {M(tpy)2}n+ embraces and CH⋯π interactions on and off in homoleptic cobalt(ii) and cobalt(iii) bis(2,2′:6′,2″-terpyridine) complexes","CrystEngComm","2010","12","10","2949","","10.1039/c002834g","","","0.71073","MoKα","","0.1464","0.0738","","0.2162","0.1845","0.2162","","","","","","0.9258","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212638","14.7647","0.0004","13.8679","0.0003","19.3849","0.0005","90","","110.805","0.0011","90","","3710.36","0.16","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H35 Br3 Co N7 O3 -","- C36 H35 Br3 Co N7 O3 -","- C144 H140 Br12 Co4 N28 O12 -","4","1","","Constable, Edwin C.; Harris, Kate; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Turning {M(tpy)2}n+ embraces and CH⋯π interactions on and off in homoleptic cobalt(ii) and cobalt(iii) bis(2,2′:6′,2″-terpyridine) complexes","CrystEngComm","2010","12","10","2949","","10.1039/c002834g","","","0.71073","MoKα","","0.0905","0.0511","","0.0765","0.0567","0.0567","","","","","","1.0274","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212639","10.5795","0.0004","13.4992","0.0004","20.4174","0.0008","72.619","0.002","89.8082","0.0017","78.331","0.002","2720.17","0.17","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C41 H41.5 Co F18 N8.5 O2 P3 -","- C41 H41.5 Co F18 N8.5 O2 P3 -","- C82 H83 Co2 F36 N17 O4 P6 -","2","1","","Constable, Edwin C.; Harris, Kate; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Turning {M(tpy)2}n+ embraces and CH⋯π interactions on and off in homoleptic cobalt(ii) and cobalt(iii) bis(2,2′:6′,2″-terpyridine) complexes","CrystEngComm","2010","12","10","2949","","10.1039/c002834g","","","0.71073","MoKα","","0.1277","0.0598","","0.1008","0.0645","0.0705","","","","","","1.1113","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212640","16.7813","0.0007","12.3488","0.0005","19.8304","0.0008","90","","90","","90","","4109.4","0.3","173","","173","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C34 H29 Co F18 N7 O2 P3 -","- C34 H29 Co F18 N7 O2 P3 -","- C136 H116 Co4 F72 N28 O8 P12 -","4","1","","Constable, Edwin C.; Harris, Kate; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Turning {M(tpy)2}n+ embraces and CH⋯π interactions on and off in homoleptic cobalt(ii) and cobalt(iii) bis(2,2′:6′,2″-terpyridine) complexes","CrystEngComm","2010","12","10","2949","","10.1039/c002834g","","","0.71073","MoKα","","0.0573","0.0442","","0.0557","0.048","0.048","","","","","","1.1536","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212641","8.94","0.0013","8.94","0.0013","20.236","0.004","90","","90","","90","","1617.3","0.5","173","2","173","2","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C30 H20 Cl2 Co F12 N6 P2 -","- C30 H20 Cl2 Co F12 N6 P2 -","- C60 H40 Cl4 Co2 F24 N12 P4 -","2","0.25","","Constable, Edwin C.; Harris, Kate; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Turning {M(tpy)2}n+ embraces and CH⋯π interactions on and off in homoleptic cobalt(ii) and cobalt(iii) bis(2,2′:6′,2″-terpyridine) complexes","CrystEngComm","2010","12","10","2949","","10.1039/c002834g","","","0.71073","MoKα","","0.0335","0.0319","","","0.0806","0.0823","","","","","","1.16","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212642","15.7364","0.0003","15.6546","0.0003","19.2908","0.0004","90","","107.777","0.001","90","","4525.32","0.16","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H47 Co F12 N7 O3 P2 -","- C42 H47 Co F12 N7 O3 P2 -","- C168 H188 Co4 F48 N28 O12 P8 -","4","1","","Constable, Edwin C.; Harris, Kate; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Turning {M(tpy)2}n+ embraces and CH⋯π interactions on and off in homoleptic cobalt(ii) and cobalt(iii) bis(2,2′:6′,2″-terpyridine) complexes","CrystEngComm","2010","12","10","2949","","10.1039/c002834g","","","0.71073","MoKα","","0.0697","0.0387","","0.0556","0.0424","0.0424","","","","","","1.0788","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212643","15.7438","0.0004","16.2492","0.0004","16.5825","0.0004","79.123","0.001","79.064","0.001","79.62","0.001","4044.22","0.17","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C38 H37 Co F12 N7 O2 P2 -","- C38 H37 Co F12 N7 O2 P2 -","- C152 H148 Co4 F48 N28 O8 P8 -","4","2","","Constable, Edwin C.; Harris, Kate; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Turning {M(tpy)2}n+ embraces and CH⋯π interactions on and off in homoleptic cobalt(ii) and cobalt(iii) bis(2,2′:6′,2″-terpyridine) complexes","CrystEngComm","2010","12","10","2949","","10.1039/c002834g","","","0.71073","MoKα","","0.0782","0.0422","","0.078","0.0511","0.0511","","","","","","1.1267","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212644","16.3767","0.0006","12.2742","0.0004","19.5992","0.0007","90","","90","","90","","3939.7","0.2","173","","173","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C32 H23 Cl2 Co F18 N7 P3 -","- C32 H23 Cl2 Co F18 N7 P3 -","- C128 H92 Cl8 Co4 F72 N28 P12 -","4","1","","Constable, Edwin C.; Harris, Kate; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Turning {M(tpy)2}n+ embraces and CH⋯π interactions on and off in homoleptic cobalt(ii) and cobalt(iii) bis(2,2′:6′,2″-terpyridine) complexes","CrystEngComm","2010","12","10","2949","","10.1039/c002834g","","","0.71073","MoKα","","0.0341","0.0309","","0.039","0.0364","0.0356","","","","","","1.0876","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212645","11.3947","0.0008","17.8294","0.0013","20.2985","0.0015","89.555","0.004","87.865","0.004","83.293","0.004","4092.8","0.5","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C35 H29.5 Co F18 N8.5 P3 -","- C35 H29.5 Co F18 N8.5 P3 -","- C140 H118 Co4 F72 N34 P12 -","4","2","","Constable, Edwin C.; Harris, Kate; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Turning {M(tpy)2}n+ embraces and CH⋯π interactions on and off in homoleptic cobalt(ii) and cobalt(iii) bis(2,2′:6′,2″-terpyridine) complexes","CrystEngComm","2010","12","10","2949","","10.1039/c002834g","","","0.71073","MoKα","","0.0467","0.0316","","0.057","0.0322","0.0322","","","","","","1.0986","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212646","12.3479","0.0005","12.3479","0.0005","49.146","0.002","90","","90","","90","","7493.3","0.5","123","","123","","","","","","","","","6","P 43","P 4cw","78","","","","- C34 H28 Co F12 N8 P2 -","- C34 H28 Co F12 N8 P2 -","- C272 H224 Co8 F96 N64 P16 -","8","2","","Constable, Edwin C.; Harris, Kate; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Turning {M(tpy)2}n+ embraces and CH⋯π interactions on and off in homoleptic cobalt(ii) and cobalt(iii) bis(2,2′:6′,2″-terpyridine) complexes","CrystEngComm","2010","12","10","2949","","10.1039/c002834g","","","0.71073","MoKα","","0.0588","0.0484","","0.0658","0.0504","0.0465","","","","","","1.0941","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212647","13.416","0.0013","20.1202","0.0018","30.775","0.003","90","","90","","90","","8307.2","1.4","123","","123","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C36 H33 Co F18 N7 O2 P3 -","- C36 H33 Co F18 N7 O2 P3 -","- C288 H264 Co8 F144 N56 O16 P24 -","8","1","","Constable, Edwin C.; Harris, Kate; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Turning {M(tpy)2}n+ embraces and CH⋯π interactions on and off in homoleptic cobalt(ii) and cobalt(iii) bis(2,2′:6′,2″-terpyridine) complexes","CrystEngComm","2010","12","10","2949","","10.1039/c002834g","","","0.71073","MoKα","","0.045","0.0381","","0.1291","0.0593","0.0507","","","","","","1.1507","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212648","7.4001","0.0004","19.4843","0.0009","10.4745","0.0005","90","","94.216","0.001","90","","1506.19","0.13","296","2","296","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C8 H34 Ge3 Mn3 N8 O S9 -","- C8 H34 Ge3 Mn3 N8 O S9 -","- C16 H68 Ge6 Mn6 N16 O2 S18 -","2","0.5","","Wang, Zhenqing; Xu, Gongfeng; Bi, Yanfeng; Wang, Cheng","Preparation of one dimensional group 14 metal sulfides: different roles of metal‒amino complexes","CrystEngComm","2010","12","11","3703","","10.1039/c002873h","","","0.71073","MoKα","","0.035","0.0276","","","0.071","0.0738","","","","","","1.075","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212649","10.122","0.003","13.308","0.005","9.63","0.003","90","","103.31","0.005","90","","1262.4","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H16 Mn N4 S3 Sn -","- C4 H16 Mn N4 S3 Sn -","- C16 H64 Mn4 N16 S12 Sn4 -","4","1","","Wang, Zhenqing; Xu, Gongfeng; Bi, Yanfeng; Wang, Cheng","Preparation of one dimensional group 14 metal sulfides: different roles of metal‒amino complexes","CrystEngComm","2010","12","11","3703","","10.1039/c002873h","","","0.71073","MoKα","","0.0601","0.058","","","0.1979","0.1992","","","","","","1.16","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212650","13.9131","0.0008","14.4528","0.0009","20.545","0.001","76.206","0.001","74.406","0.001","64.936","0.001","3567.6","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H32 Cl2 Cu2 N6 O15 -","- C30 H30 Cl2 Cu2 N6 O15 -","- C120 H120 Cl8 Cu8 N24 O60 -","4","2","","Huang, Yong-Qing; Shen, Zhong-Liang; Zhou, Xia-Ying; Okamura, Taka-aki; Su, Zhi; Fan, Jian; Sun, Wei-Yin; Yu, Jin-Quan; Ueyama, Norikazu","Metal‒organic frameworks with oxazoline-containing tripodal ligand: structure changes via reaction medium and metal-to-ligand ratio","CrystEngComm","2010","12","12","4328","","10.1039/c002874f","","","0.71073","MoKα","","0.0911","0.062","","","0.1626","0.1835","","","","","","1.026","","","","has coordinates,has disorder","180457","2020-10-21","18:00:00",""
"7212651","23.752","0.002","23.752","","14.2281","0.0012","90","","90","","120","","6951.5","0.8","293","2","293","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","[Cu3(OX1)2(MeCN)3](ClO4)3","","- C36 H39 Cl3 Cu3 N9 O18 -","- C36 H39 Cl3 Cu3 N9 O18 -","- C216 H234 Cl18 Cu18 N54 O108 -","6","0.333333","","Huang, Yong-Qing; Shen, Zhong-Liang; Zhou, Xia-Ying; Okamura, Taka-aki; Su, Zhi; Fan, Jian; Sun, Wei-Yin; Yu, Jin-Quan; Ueyama, Norikazu","Metal‒organic frameworks with oxazoline-containing tripodal ligand: structure changes via reaction medium and metal-to-ligand ratio","CrystEngComm","2010","12","12","4328","","10.1039/c002874f","","","0.71073","MoKα","","0.1065","0.0551","","","0.088","0.1034","","","","","","0.891","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212652","22.988","0.011","25.016","0.012","13.119","0.005","90","","90","","90","","7544","6","200","","200","","","","","","","","","6","P m m n :2","-P 2ab 2a","59","","[Cu2Cl(OX1)2](ClO4)-9/4(H2O)-3/4(CH3CN)","","- C31.5 H36.75 Cl2 Cu2 N6.75 O12.25 -","- C31.5 H32.25 Cl2 Cu2 N6.75 O12.25 -","- C252 H258 Cl16 Cu16 N54 O98 -","8","1","","Huang, Yong-Qing; Shen, Zhong-Liang; Zhou, Xia-Ying; Okamura, Taka-aki; Su, Zhi; Fan, Jian; Sun, Wei-Yin; Yu, Jin-Quan; Ueyama, Norikazu","Metal‒organic frameworks with oxazoline-containing tripodal ligand: structure changes via reaction medium and metal-to-ligand ratio","CrystEngComm","2010","12","12","4328","","10.1039/c002874f","","","0.71075","MoKα","","0.2272","0.1452","","","0.3738","0.4192","","","","","","1.299","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212653","7.0086","0.0006","12.9662","0.0011","13.0105","0.0011","118.629","0.001","93.004","0.001","99.665","0.001","1010.92","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H40 Cl2 Cu2 N8 O16 -","- C34 H40 Cl2 Cu2 N8 O16 -","- C34 H40 Cl2 Cu2 N8 O16 -","1","0.5","","Huang, Yong-Qing; Shen, Zhong-Liang; Zhou, Xia-Ying; Okamura, Taka-aki; Su, Zhi; Fan, Jian; Sun, Wei-Yin; Yu, Jin-Quan; Ueyama, Norikazu","Metal‒organic frameworks with oxazoline-containing tripodal ligand: structure changes via reaction medium and metal-to-ligand ratio","CrystEngComm","2010","12","12","4328","","10.1039/c002874f","","","0.71073","MoKα","","0.0541","0.0449","","","0.1107","0.1148","","","","","","0.979","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7212654","7.145","0.009","11.1913","0.0015","11.4001","0.0016","85.809","0.003","76.365","0.003","77.003","0.003","863","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H15 Br2 Cu2 N3 O3 -","- C15 H15 Br2 Cu2 N3 O3 -","- C30 H30 Br4 Cu4 N6 O6 -","2","1","","Huang, Yong-Qing; Shen, Zhong-Liang; Zhou, Xia-Ying; Okamura, Taka-aki; Su, Zhi; Fan, Jian; Sun, Wei-Yin; Yu, Jin-Quan; Ueyama, Norikazu","Metal‒organic frameworks with oxazoline-containing tripodal ligand: structure changes via reaction medium and metal-to-ligand ratio","CrystEngComm","2010","12","12","4328","","10.1039/c002874f","","","0.71073","MoKα","","0.0786","0.0517","","","0.1198","0.1318","","","","","","1.005","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212655","14.0625","0.0013","21.702","0.002","13.4908","0.0013","90","","90","","90","","4117.2","0.7","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C34 H36 Br4 Cu4 N8 O6 -","- C34 H36 Br4 Cu4 N8 O6 -","- C136 H144 Br16 Cu16 N32 O24 -","4","0.5","","Huang, Yong-Qing; Shen, Zhong-Liang; Zhou, Xia-Ying; Okamura, Taka-aki; Su, Zhi; Fan, Jian; Sun, Wei-Yin; Yu, Jin-Quan; Ueyama, Norikazu","Metal‒organic frameworks with oxazoline-containing tripodal ligand: structure changes via reaction medium and metal-to-ligand ratio","CrystEngComm","2010","12","12","4328","","10.1039/c002874f","","","0.71073","MoKα","","0.1368","0.1028","","","0.1761","0.1897","","","","","","1.203","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212656","8.849","0.0007","13.869","0.001","10.818","0.0008","90","","90","","90","","1327.66","0.17","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C6 H14 N2 O8 P2 Zn -","- C6 H11 N2 O8 P2 Zn -","- C24 H44 N8 O32 P8 Zn4 -","4","1","","Feng, Jing-Dong; Tang, Shu-Wei; Shao, Kui-Zhan; Wang, Rong-Shun; Yao, Chan; Xie, Hai-Ming; Su, Zhong-Min","Helical channels, low framework density and structure-directing effect: a novel non-centrosymmetric zinc phosphate NIS-4 prepared by ionothermal reaction","CrystEngComm","2010","12","11","3448","","10.1039/c002882g","","","0.71069","MoKα","","0.0258","0.0245","","","0.0658","0.0663","","","","","","1.073","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212657","5.6975","0.0004","16.886","0.0013","11.0191","0.0005","90","","101.594","0.004","90","","1038.49","0.12","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Mpp","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Mocilac, Pavle; Tallon, Mark; Lough, Alan J.; Gallagher, John F.","Synthesis, structural and conformational analysis of a 3 ×3 isomer grid based on nine methyl-N-(pyridyl)benzamides","CrystEngComm","2010","12","10","3080","","10.1039/c002986f","","","0.71073","MoKα","","0.1424","0.0664","","","0.1546","0.2015","","","","","","1.004","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212658","8.1453","0.0006","9.1925","0.0008","14.5347","0.0015","87.088","0.005","88.102","0.006","76.456","0.006","1056.41","0.16","150","2","150","2","","","","","","","","4","P -1","-P 1","2","Mmp","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","2","","Mocilac, Pavle; Tallon, Mark; Lough, Alan J.; Gallagher, John F.","Synthesis, structural and conformational analysis of a 3 ×3 isomer grid based on nine methyl-N-(pyridyl)benzamides","CrystEngComm","2010","12","10","3080","","10.1039/c002986f","","","0.71073","MoKα","","0.1372","0.0661","","","0.1464","0.1829","","","","","","1.012","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212659","6.1091","0.0004","25.558","0.002","7.7455","0.0002","90","","111.7","0.002","90","","1123.65","0.12","150","2","150","2","","","","","","","","4","P 1 c 1","P -2yc","7","Mop","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","2","","Mocilac, Pavle; Tallon, Mark; Lough, Alan J.; Gallagher, John F.","Synthesis, structural and conformational analysis of a 3 ×3 isomer grid based on nine methyl-N-(pyridyl)benzamides","CrystEngComm","2010","12","10","3080","","10.1039/c002986f","","","0.71073","MoKα","","0.1104","0.0556","","","0.1291","0.161","","","","","","1.021","","","","has coordinates,has disorder","180457","2020-10-21","18:00:00",""
"7212660","5.2023","0.0002","7.7661","0.0004","26.5219","0.0012","89.078","0.003","89.687","0.003","90.024","0.002","1071.37","0.08","150","2","150","2","","","","","","","","4","P 1","P 1","1","Mpm","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","4","","Mocilac, Pavle; Tallon, Mark; Lough, Alan J.; Gallagher, John F.","Synthesis, structural and conformational analysis of a 3 ×3 isomer grid based on nine methyl-N-(pyridyl)benzamides","CrystEngComm","2010","12","10","3080","","10.1039/c002986f","","","0.71073","MoKα","","0.092","0.0592","","","0.1334","0.1538","","","","","","1.05","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212661","9.4025","0.0004","9.864","0.0005","12.4783","0.0007","86.077","0.002","85.8","0.003","69.39","0.003","1079.21","0.1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","Mmm","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","2","","Mocilac, Pavle; Tallon, Mark; Lough, Alan J.; Gallagher, John F.","Synthesis, structural and conformational analysis of a 3 ×3 isomer grid based on nine methyl-N-(pyridyl)benzamides","CrystEngComm","2010","12","10","3080","","10.1039/c002986f","","","0.71073","MoKα","","0.1624","0.0763","","","0.1873","0.2535","","","","","","1.005","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212662","11.517","0.0002","10.48","0.0003","9.196","0.0003","90","","90","","90","","1109.94","0.05","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","Mom","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Mocilac, Pavle; Tallon, Mark; Lough, Alan J.; Gallagher, John F.","Synthesis, structural and conformational analysis of a 3 ×3 isomer grid based on nine methyl-N-(pyridyl)benzamides","CrystEngComm","2010","12","10","3080","","10.1039/c002986f","","","0.71073","MoKα","","0.0574","0.0405","","","0.0862","0.0964","","","","","","1.106","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212663","5.9079","0.0003","7.714","0.0004","12.2606","0.0008","97.406","0.002","94.029","0.002","107.463","0.002","525.04","0.05","150","2","150","2","","","","","","","","4","P -1","-P 1","2","Mpo","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C26 H24 N4 O2 -","2","1","","Mocilac, Pavle; Tallon, Mark; Lough, Alan J.; Gallagher, John F.","Synthesis, structural and conformational analysis of a 3 ×3 isomer grid based on nine methyl-N-(pyridyl)benzamides","CrystEngComm","2010","12","10","3080","","10.1039/c002986f","","","0.71073","MoKα","","0.0471","0.0389","","","0.1028","0.1087","","","","","","1.049","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212664","5.148","0.0003","13.9239","0.0014","15.0042","0.0013","90","","98","0.005","90","","1065.04","0.15","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Mmo","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Mocilac, Pavle; Tallon, Mark; Lough, Alan J.; Gallagher, John F.","Synthesis, structural and conformational analysis of a 3 ×3 isomer grid based on nine methyl-N-(pyridyl)benzamides","CrystEngComm","2010","12","10","3080","","10.1039/c002986f","","","0.71073","MoKα","","0.1358","0.0654","","","0.1544","0.1954","","","","","","1.023","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212665","7.2376","0.0004","8.5035","0.0006","9.0024","0.0005","92.327","0.003","97.349","0.003","95.259","0.003","546.42","0.06","150","2","150","2","","","","","","","","4","P -1","-P 1","2","Moo","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C26 H24 N4 O2 -","2","1","","Mocilac, Pavle; Tallon, Mark; Lough, Alan J.; Gallagher, John F.","Synthesis, structural and conformational analysis of a 3 ×3 isomer grid based on nine methyl-N-(pyridyl)benzamides","CrystEngComm","2010","12","10","3080","","10.1039/c002986f","","","0.71073","MoKα","","0.0867","0.0626","","","0.1627","0.1844","","","","","","1.077","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212666","9.844","0.0002","19.4582","0.0005","39.7503","0.0009","78.821","0.002","88.8704","0.0019","88.114","0.002","7464.8","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","25, 26. 27. 28-tetratetrdecoxycalix(4)arene","","","- C84 H136 O4 -","- C84 H136 O4 -","- C336 H544 O16 -","4","2","","Martin, Adam D.; Sobolev, Alexandre N.; Raston, Colin L.","Mapping out the diversity of interplay of O-alkylated calix[4]arenes","CrystEngComm","2010","12","10","2666","","10.1039/c003053h","","","1.54184","CuKα","","0.107","0.0612","","","0.1619","0.1881","","","","","","1.035","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212667","16.2891","0.0003","43.0728","0.0006","19.5152","0.0003","90","","90.418","0.002","90","","13691.8","0.4","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","25,26,27,28-tetradodecoxycalix(4)arene","","","- C76 H120 O4 -","- C76 H120 O4 -","- C608 H960 O32 -","8","4","","Martin, Adam D.; Sobolev, Alexandre N.; Raston, Colin L.","Mapping out the diversity of interplay of O-alkylated calix[4]arenes","CrystEngComm","2010","12","10","2666","","10.1039/c003053h","","","1.54178","CuKα","","0.1027","0.0894","","","0.234","0.255","","","","","","1.001","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212668","16.7708","0.0005","18.7282","0.0004","29.5329","0.0006","90.194","0.002","97.457","0.002","91.695","0.002","9193.2","0.4","100","2","100","2","","","","","","","","3","P -1","-P 1","2","25, 26. 27. 28-tetrahexadecoxycalix(4)arene","","","- C92 H162 O9 -","- C92 H152 O9 -","- C368 H608 O36 -","4","2","","Martin, Adam D.; Sobolev, Alexandre N.; Raston, Colin L.","Mapping out the diversity of interplay of O-alkylated calix[4]arenes","CrystEngComm","2010","12","10","2666","","10.1039/c003053h","","","1.54178","CuKα","","0.3621","0.1041","","","0.2066","0.2629","","","","","","1.017","","","","has coordinates,has disorder","180457","2020-10-21","18:00:00",""
"7212669","13.7352","0.0011","13.7352","0.0011","3.634","0.0004","90","","90","","90","","685.57","0.11","150","2","150","2","","","","","","","","5","P -4 b 2","P -4 -2ab","117","","","","- C10 H6 Cl6 Co N2 -","- C10 H6 Cl6 Co N2 -","- C20 H12 Cl12 Co2 N4 -","2","0.25","","Clemente-Juan, Juan M.; Coronado, Eugenio; Mínguez Espallargas, Guillermo; Adams, Harry; Brammer, Lee","Effects of halogen bonding in ferromagnetic chains based on Co(ii) coordination polymers","CrystEngComm","2010","12","8","2339","","10.1039/c003078c","","","0.71073","MoKα","","0.0307","0.0288","","","0.0888","0.0896","","","","","","1.179","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212670","13.7871","0.001","13.7871","0.001","3.7439","0.0006","90","","90","","90","","711.66","0.14","150","2","150","2","","","","","","","","6","P -4 b 2","P -4 -2ab","117","","","","- C10 H6 Br4 Cl2 Co N2 -","- C10 H6 Br4 Cl2 Co N2 -","- C20 H12 Br8 Cl4 Co2 N4 -","2","0.25","","Clemente-Juan, Juan M.; Coronado, Eugenio; Mínguez Espallargas, Guillermo; Adams, Harry; Brammer, Lee","Effects of halogen bonding in ferromagnetic chains based on Co(ii) coordination polymers","CrystEngComm","2010","12","8","2339","","10.1039/c003078c","","","0.71073","MoKα","","0.031","0.0288","","","0.0902","0.0918","","","","","","1.129","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212671","12.036","0.003","15.301","0.004","16.906","0.005","108.3","0.005","101.394","0.004","102.28","0.005","2768.6","1.3","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C66 H50 Co3 O24 -","- C66 H50 Co3 O24 -","- C66 H50 Co3 O24 -","1","0.5","","Liang, Li-Li; Ren, Shi-Bin; Wang, Jun; Zhang, Jun; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng","A 3-dimensional coordination polymer with a fluorite structure constructed from a semi-rigid tetrahedral ligand","CrystEngComm","2010","12","10","2669","","10.1039/c003203d","","","0.71073","MoKα","","0.0764","0.055","","","0.1183","0.1236","","","","","","1.028","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212672","15.826","0.0009","22.4438","0.0013","25.4429","0.0016","90","","90","","90","","9037.2","0.9","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","cyanocobalamin hydrate","5,6-Dimethylbenzimidazolyl cyanocobamide hydrate","","- C63 H135 Co N14 O37.5 P -","- C63 H88 Co N14 O23 P -","- C252 H352 Co4 N56 O92 P4 -","4","1","","Fabbiani, Francesca P. A.; Buth, Gernot; Dittrich, Birger; Sowa, Heidrun","Pressure-induced structural changes in wet vitamin B12","CrystEngComm","2010","12","9","2541","","10.1039/c003378b","","","0.71073","synchrotron","","0.0932","0.0731","","","0.206","0.2254","","","","","","1.021","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212673","15.9455","0.0004","21.0511","0.0005","23.8739","0.0008","90","","90","","90","","8013.8","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","cyanocobalamin hydrate","5,6-Dimethylbenzimidazolyl cyanocobamide hydrate","","- C63 H132 Co N14 O36 P -","- C63 H88 Co N14 O36 P -","- C252 H352 Co4 N56 O144 P4 -","4","1","","Fabbiani, Francesca P. A.; Buth, Gernot; Dittrich, Birger; Sowa, Heidrun","Pressure-induced structural changes in wet vitamin B12","CrystEngComm","2010","12","9","2541","","10.1039/c003378b","","","0.72","synchrotron","","0.0968","0.0665","","","0.1837","0.2165","","","","","","1.038","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212675","12.595","0.003","17.501","0.005","23.862","0.006","89.857","0.005","77.873","0.005","69.836","0.005","4813","2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C78 H87 Ba Cl2 F9 O30 P8 -","- C76 H76 Ba Cl2 F6 O29 P8 -","- C152 H152 Ba2 Cl4 F12 O58 P16 -","2","1","","Melegari, Monica; Massera, Chiara; Ugozzoli, Franco; Dalcanale, Enrico","Tetraphosphonate cavitands: interplay between metal coordination and H-bonding in the formation of dimeric capsules","CrystEngComm","2010","12","7","2057","","10.1039/c003426f","","","0.71069","MoKα","","0.0985","0.0642","","","0.1642","0.1824","","","","","","1.003","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212676","12.6644","0.0017","13.9674","0.0019","16.164","0.002","106.558","0.002","112.004","0.002","97.153","0.003","2453.5","0.6","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C80 H92 Ca Cl2 F12 O32 P8 -","- C80 H80 Ca Cl2 F12 O32 P8 -","- C80 H80 Ca Cl2 F12 O32 P8 -","1","0.5","","Melegari, Monica; Massera, Chiara; Ugozzoli, Franco; Dalcanale, Enrico","Tetraphosphonate cavitands: interplay between metal coordination and H-bonding in the formation of dimeric capsules","CrystEngComm","2010","12","7","2057","","10.1039/c003426f","","","0.71069","MoKα","","0.1437","0.073","","","0.1974","0.2291","","","","","","1.001","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212677","12.7839","0.0007","18.1535","0.001","26.2766","0.0014","78.81","0.001","83.73","0.001","70.891","0.001","5645.6","0.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C82 H109 Cl4 F15 O40 P8 Zn2 -","- C76 H76 Cl4 F6 O37 P8 Zn2 -","- C152 H152 Cl8 F12 O74 P16 Zn4 -","2","1","","Melegari, Monica; Massera, Chiara; Ugozzoli, Franco; Dalcanale, Enrico","Tetraphosphonate cavitands: interplay between metal coordination and H-bonding in the formation of dimeric capsules","CrystEngComm","2010","12","7","2057","","10.1039/c003426f","","","0.71069","MoKα","","0.0762","0.0516","","","0.146","0.1537","","","","","","0.998","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212678","11.9041","0.0018","14.8949","0.0022","18.2861","0.0027","103.601","0.011","90.669","0.01","98.66","0.011","3111.7","0.8","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C152 H88 Co4 N44 -","- C152 H88 Co4 N44 -","- C152 H88 Co4 N44 -","1","0.5","","Janczak, Jan; Kubiak, Ryszard","Pyrazine control of the supramolecular chemistry of iron(ii) and cobalt(ii) phthalocyanines","CrystEngComm","2010","12","11","3599","","10.1039/c003440a","","","0.71073","MoKα","","0.185","0.0455","","","0.0397","0.0465","","","","","","0.993","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212679","11.597","0.002","13.436","0.003","14.524","0.003","103.62","0.02","98.36","0.01","94.92","0.01","2159.1","0.8","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C108 H60 Co3 N30 -","- C108 H60 Co3 N30 -","- C108 H60 Co3 N30 -","1","0.5","","Janczak, Jan; Kubiak, Ryszard","Pyrazine control of the supramolecular chemistry of iron(ii) and cobalt(ii) phthalocyanines","CrystEngComm","2010","12","11","3599","","10.1039/c003440a","","","0.71073","MoKα","","0.0986","0.0356","","","0.0449","0.048","","","","","","0.964","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212680","9.5301","0.0019","19.6721","0.0037","9.1369","0.0018","90","","111.26","0.01","90","","1596.4","0.5","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H24 Fe N12 -","- C40 H24 Fe N12 -","- C80 H48 Fe2 N24 -","2","0.5","","Janczak, Jan; Kubiak, Ryszard","Pyrazine control of the supramolecular chemistry of iron(ii) and cobalt(ii) phthalocyanines","CrystEngComm","2010","12","11","3599","","10.1039/c003440a","","","0.71073","MoKα","","0.0911","0.0368","","","0.0571","0.0625","","","","","","1.01","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212681","9.6352","0.0004","4.9435","0.0002","12.8853","0.0005","90","","121.808","0.002","90","","521.57","0.04","293","","293","","850000","","850000","","","","","5","P 1 21/a 1","-P 2yab","14","DL-cysteine","","","- C3 H7 N O2 S -","- C3 H7 N O2 S -","- C12 H28 N4 O8 S4 -","4","1","","Minkov, Vasily S.; Tumanov, Nikolay A.; Cabrera, Raul Quesada; Boldyreva, Elena V.","Low temperature/high pressure polymorphism in dl-cysteine","CrystEngComm","2010","12","9","2551","","10.1039/c003617j","powder diffraction","x-ray","0.70007","","","","","","","","","","","0.1443","","","","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212682","9.712","0.005","4.9755","0.002","13.107","0.006","90","","121.849","0.025","90","","538","0.5","293","","293","","250000","","250000","","","","","5","P 1 21/a 1","-P 2yab","14","DL-cysteine","","","- C3 H7 N O2 S -","- C3 H7 N O2 S -","- C12 H28 N4 O8 S4 -","4","1","","Minkov, Vasily S.; Tumanov, Nikolay A.; Cabrera, Raul Quesada; Boldyreva, Elena V.","Low temperature/high pressure polymorphism in dl-cysteine","CrystEngComm","2010","12","9","2551","","10.1039/c003617j","powder diffraction","x-ray","0.70007","","","","","","","","","","","0.2005","","","","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212683","7.5435","0.0005","12.3178","0.0007","12.6712","0.0008","98.008","0.005","98.363","0.004","97.634","0.004","1139.35","0.13","123","0.1","123","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C13 H8 F5 N -","- C13 H8 F5 N -","- C52 H32 F20 N4 -","4","2","","Albrecht, Markus; Müller, Michael; Valkonen, Arto; Rissanen, Kari","Weak non-covalent interactions control the relative molecular orientation in the crystals of N-pentafluorobenzyl aniline derivatives","CrystEngComm","2010","12","11","3698","","10.1039/c003636f","","","0.71073","MoKα","","0.1389","0.07","","","0.1142","0.1417","","","","","","1.066","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212684","11.5483","0.0003","7.7905","0.0002","7.7488","0.0002","90","","101.708","0.002","90","","682.63","0.03","123","0.1","123","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C13 H9 Br F5 N -","- C13 H9 Br F5 N -","- C26 H18 Br2 F10 N2 -","2","1","","Albrecht, Markus; Müller, Michael; Valkonen, Arto; Rissanen, Kari","Weak non-covalent interactions control the relative molecular orientation in the crystals of N-pentafluorobenzyl aniline derivatives","CrystEngComm","2010","12","11","3698","","10.1039/c003636f","","","0.71073","MoKα","","0.0223","0.0201","","","0.0438","0.0445","","","","","","1.08","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212685","14.1734","0.0003","7.3775","0.0002","14.4255","0.0003","90","","112.497","0.002","90","","1393.6","0.06","123","0.1","123","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H8 Br Cl F5 N -","- C13 H8 Br Cl F5 N -","- C52 H32 Br4 Cl4 F20 N4 -","4","1","","Albrecht, Markus; Müller, Michael; Valkonen, Arto; Rissanen, Kari","Weak non-covalent interactions control the relative molecular orientation in the crystals of N-pentafluorobenzyl aniline derivatives","CrystEngComm","2010","12","11","3698","","10.1039/c003636f","","","0.71073","MoKα","","0.0305","0.0235","","","0.0492","0.0519","","","","","","1.051","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212686","7.778","0.0001","24.2111","0.0005","7.792","0.0001","90","","90","","90","","1467.34","0.04","123","0.1","123","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C13 H8 Br2 F5 N -","- C13 H8 Br2 F5 N -","- C52 H32 Br8 F20 N4 -","4","1","","Albrecht, Markus; Müller, Michael; Valkonen, Arto; Rissanen, Kari","Weak non-covalent interactions control the relative molecular orientation in the crystals of N-pentafluorobenzyl aniline derivatives","CrystEngComm","2010","12","11","3698","","10.1039/c003636f","","","0.71073","MoKα","","0.0419","0.0352","","","0.0669","0.0691","","","","","","1.035","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212687","11.7935","0.0006","7.5988","0.0003","7.5838","0.0003","90","","103.138","0.003","90","","661.84","0.05","123","2","123","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C13 H9 Cl F5 N -","- C13 H9 Cl F5 N -","- C26 H18 Cl2 F10 N2 -","2","1","","Albrecht, Markus; Müller, Michael; Valkonen, Arto; Rissanen, Kari","Weak non-covalent interactions control the relative molecular orientation in the crystals of N-pentafluorobenzyl aniline derivatives","CrystEngComm","2010","12","11","3698","","10.1039/c003636f","","","0.71069","MoKα","","0.0404","0.0356","","","0.0746","0.0763","","","","","","1.042","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212688","17.701","0.003","8.7379","0.0014","15.466","0.003","90","","90.585","0.003","90","","2392","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H24 Br8 Co N10 O10 -","- C44 H24 Br8 Co N10 O10 -","- C88 H48 Br16 Co2 N20 O20 -","2","0.5","","Li, Cheng-Peng; Chen, Jing; Du, Miao","Structural diversification and metal-directed assembly of coordination architectures based on tetrabromoterephthalic acid and a bent dipyridyl tecton 2,5-bis(4-pyridyl)-1,3,4-oxadiazole","CrystEngComm","2010","12","12","4392","","10.1039/c003738a","","","0.71073","MoKα","","0.0415","0.0318","","","0.0804","0.0844","","","","","","1.048","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212689","7.9351","0.0004","11.3444","0.0005","12.949","0.0006","100.774","0.001","107.342","0.001","101.24","0.001","1053.28","0.09","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H34 Br4 N8 Ni O13 -","- C34 H28 Br4 N8 Ni O13 -","- C34 H28 Br4 N8 Ni O13 -","1","0.5","","Li, Cheng-Peng; Chen, Jing; Du, Miao","Structural diversification and metal-directed assembly of coordination architectures based on tetrabromoterephthalic acid and a bent dipyridyl tecton 2,5-bis(4-pyridyl)-1,3,4-oxadiazole","CrystEngComm","2010","12","12","4392","","10.1039/c003738a","","","0.71073","MoKα","","0.0453","0.0324","","","0.0778","0.0847","","","","","","1.049","","","","has coordinates,has disorder","180457","2020-10-21","18:00:00",""
"7212690","8.1293","0.0009","10.9582","0.0011","11.4728","0.0012","63.567","0.002","76.532","0.002","86.007","0.001","889.33","0.16","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H24 Br4 N8 O10 Zn -","- C32 H24 Br4 N8 O10 Zn -","- C32 H24 Br4 N8 O10 Zn -","1","0.5","","Li, Cheng-Peng; Chen, Jing; Du, Miao","Structural diversification and metal-directed assembly of coordination architectures based on tetrabromoterephthalic acid and a bent dipyridyl tecton 2,5-bis(4-pyridyl)-1,3,4-oxadiazole","CrystEngComm","2010","12","12","4392","","10.1039/c003738a","","","0.71073","MoKα","","0.0257","0.022","","","0.0523","0.0537","","","","","","1.038","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212691","10.891","0.002","12.402","0.003","15.103","0.003","78.95","0.004","71.012","0.004","64.975","0.004","1744.4","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H19 Ag Br4 N8 O7 -","- C32 H19 Ag Br4 N8 O7 -","- C64 H38 Ag2 Br8 N16 O14 -","2","1","","Li, Cheng-Peng; Chen, Jing; Du, Miao","Structural diversification and metal-directed assembly of coordination architectures based on tetrabromoterephthalic acid and a bent dipyridyl tecton 2,5-bis(4-pyridyl)-1,3,4-oxadiazole","CrystEngComm","2010","12","12","4392","","10.1039/c003738a","","","0.71073","MoKα","","0.0717","0.0377","","","0.0888","0.112","","","","","","1.072","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212692","10.8691","0.0008","12.3897","0.0009","15.1065","0.001","78.961","0.001","71.045","0.001","64.99","0.001","1740.1","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H18 Br4 Cd N8 O7 -","- C32 H18 Br4 Cd N8 O7 -","- C64 H36 Br8 Cd2 N16 O14 -","2","1","","Li, Cheng-Peng; Chen, Jing; Du, Miao","Structural diversification and metal-directed assembly of coordination architectures based on tetrabromoterephthalic acid and a bent dipyridyl tecton 2,5-bis(4-pyridyl)-1,3,4-oxadiazole","CrystEngComm","2010","12","12","4392","","10.1039/c003738a","","","0.71073","MoKα","","0.0464","0.0278","","","0.0487","0.0603","","","","","","1.06","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212693","8.2722","0.0004","27.6453","0.0011","11.1959","0.0005","90","","93.561","0.001","90","","2555.4","0.2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H14 Br4 Cu N4 O7 -","- C21 H14 Br4 Cu N4 O7 -","- C84 H56 Br16 Cu4 N16 O28 -","4","1","","Li, Cheng-Peng; Chen, Jing; Du, Miao","Structural diversification and metal-directed assembly of coordination architectures based on tetrabromoterephthalic acid and a bent dipyridyl tecton 2,5-bis(4-pyridyl)-1,3,4-oxadiazole","CrystEngComm","2010","12","12","4392","","10.1039/c003738a","","","0.71073","MoKα","","0.0408","0.0292","","","0.0626","0.0668","","","","","","1.046","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212694","11.398","0.004","12.337","0.004","12.667","0.004","65.774","0.005","75.569","0.005","75.861","0.004","1552.6","0.9","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H19 Br4 N5 O8 Zn -","- C23 H17 Br4 N5 O8 Zn -","- C46 H34 Br8 N10 O16 Zn2 -","2","1","","Li, Cheng-Peng; Chen, Jing; Du, Miao","Structural diversification and metal-directed assembly of coordination architectures based on tetrabromoterephthalic acid and a bent dipyridyl tecton 2,5-bis(4-pyridyl)-1,3,4-oxadiazole","CrystEngComm","2010","12","12","4392","","10.1039/c003738a","","","0.71073","MoKα","","0.0823","0.0598","","","0.1677","0.1776","","","","","","0.999","","","","has coordinates,has disorder","180457","2020-10-21","18:00:00",""
"7212695","11.691","0.002","13.201","0.002","16.25","0.003","90","","98.032","0.003","90","","2483.3","0.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H8 Br4 N4 O5 Pb -","- C20 H8 Br4 N4 O5 Pb -","- C80 H32 Br16 N16 O20 Pb4 -","4","0.5","","Li, Cheng-Peng; Chen, Jing; Du, Miao","Structural diversification and metal-directed assembly of coordination architectures based on tetrabromoterephthalic acid and a bent dipyridyl tecton 2,5-bis(4-pyridyl)-1,3,4-oxadiazole","CrystEngComm","2010","12","12","4392","","10.1039/c003738a","","","0.71073","MoKα","","0.0483","0.0385","","","0.0956","0.1016","","","","","","1.041","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212696","31.9495","0.0006","7.3661","0.0002","20.7736","0.0006","90","","125.116","0.001","90","","3999.09","0.18","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H24 N6 O2 S8 -","- C42 H24 N6 O2 S8 -","- C168 H96 N24 O8 S32 -","4","0.5","","Dias, Sandra I. G.; Rabaça, Sandra; Santos, Isabel C.; Wallis, John D.; Almeida, Manuel","A unique co-crystallisation motif for bis(4-pyridyl)acetylene involving S⋯spC interactions with a fused 1,3-dithiole ring","CrystEngComm","2010","12","11","3397","","10.1039/c003838e","","","0.71069","MoKα","","0.0494","0.0356","","","0.0831","0.0889","","","","","","1.027","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212703","5.9527","0.0003","13.0441","0.0006","19.5781","0.001","90","","90","","90","","1520.19","0.13","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C14 H8 O6 Pb S -","- C14 H8 O6 Pb S -","- C56 H32 O24 Pb4 S4 -","4","0.5","","Lin, Jian-Di; Wu, Shu-Ting; Li, Zhi-Hua; Du, Shao-Wu","A series of novel Pb(ii) or Pb(ii)/M(ii) (M = Ca and Sr) hybrid inorganic‒organic frameworks based on polycarboxylic acids with diverse Pb‒O‒M (M = Pb, Ca and Sr) inorganic connectivities","CrystEngComm","2010","12","12","4252","","10.1039/c004010j","","","0.71073","MoKα","","0.0292","0.0264","","","0.0747","0.0771","","","","","","1.042","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212704","9.4887","0.0007","7.4979","0.0005","18.1593","0.0012","90","","91.634","0.006","90","","1291.42","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 O5 Pb S -","- C10 H10 O5 Pb S -","- C40 H40 O20 Pb4 S4 -","4","1","","Lin, Jian-Di; Wu, Shu-Ting; Li, Zhi-Hua; Du, Shao-Wu","A series of novel Pb(ii) or Pb(ii)/M(ii) (M = Ca and Sr) hybrid inorganic‒organic frameworks based on polycarboxylic acids with diverse Pb‒O‒M (M = Pb, Ca and Sr) inorganic connectivities","CrystEngComm","2010","12","12","4252","","10.1039/c004010j","","","0.71073","MoKα","","0.0281","0.0247","","","0.0585","0.0603","","","","","","1.062","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212705","10.143","0.002","12.709","0.003","16.795","0.004","90","","107.036","0.004","90","","2070","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Ca O9 Pb S -","- C18 H14 Ca O9 Pb S -","- C72 H56 Ca4 O36 Pb4 S4 -","4","1","","Lin, Jian-Di; Wu, Shu-Ting; Li, Zhi-Hua; Du, Shao-Wu","A series of novel Pb(ii) or Pb(ii)/M(ii) (M = Ca and Sr) hybrid inorganic‒organic frameworks based on polycarboxylic acids with diverse Pb‒O‒M (M = Pb, Ca and Sr) inorganic connectivities","CrystEngComm","2010","12","12","4252","","10.1039/c004010j","","","0.71073","MoKα","","0.0397","0.0342","","","0.0903","0.0921","","","","","","1.023","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212706","21.118","0.0004","21.118","0.0004","9.4092","0.0003","90","","90","","90","","4196.22","0.17","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C18 H16 Ca O12 Pb -","- C18 H16 Ca O12 Pb -","- C144 H128 Ca8 O96 Pb8 -","8","0.5","","Lin, Jian-Di; Wu, Shu-Ting; Li, Zhi-Hua; Du, Shao-Wu","A series of novel Pb(ii) or Pb(ii)/M(ii) (M = Ca and Sr) hybrid inorganic‒organic frameworks based on polycarboxylic acids with diverse Pb‒O‒M (M = Pb, Ca and Sr) inorganic connectivities","CrystEngComm","2010","12","12","4252","","10.1039/c004010j","","","0.71073","MoKα","","0.0292","0.029","","","0.0729","0.0733","","","","","","1.047","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212707","9.8108","0.0005","10.4971","0.0004","12.3568","0.0005","68.336","0.008","87.529","0.009","68.261","0.008","1092.09","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H15 N O10 Pb Sr -","- C18 H7 N O10 Pb Sr -","- C36 H14 N2 O20 Pb2 Sr2 -","2","1","","Lin, Jian-Di; Wu, Shu-Ting; Li, Zhi-Hua; Du, Shao-Wu","A series of novel Pb(ii) or Pb(ii)/M(ii) (M = Ca and Sr) hybrid inorganic‒organic frameworks based on polycarboxylic acids with diverse Pb‒O‒M (M = Pb, Ca and Sr) inorganic connectivities","CrystEngComm","2010","12","12","4252","","10.1039/c004010j","","","0.71073","MoKα","","0.0495","0.0428","","","0.1106","0.1163","","","","","","1.016","","","","has coordinates,has disorder","180458","2020-10-21","18:00:00",""
"7212708","11.4429","0.0014","23.6717","0.0014","8.166","0.0009","90","","128.596","0.004","90","","1728.8","0.3","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C32 H28 Ca O14 Pb S4 -","- C32 H28 Ca O14 Pb S4 -","- C64 H56 Ca2 O28 Pb2 S8 -","2","0.25","","Lin, Jian-Di; Wu, Shu-Ting; Li, Zhi-Hua; Du, Shao-Wu","A series of novel Pb(ii) or Pb(ii)/M(ii) (M = Ca and Sr) hybrid inorganic‒organic frameworks based on polycarboxylic acids with diverse Pb‒O‒M (M = Pb, Ca and Sr) inorganic connectivities","CrystEngComm","2010","12","12","4252","","10.1039/c004010j","","","0.71073","MoKα","","0.0354","0.035","","","0.0928","0.0934","","","","","","1.097","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212712","21.619","0.008","21.619","0.008","14.104","0.005","90","","90","","120","","5709","4","223","2","223","2","","","","","","","","5","P 6/m m m","-P 6 2","191","Kagome_bpy","","","- C26 H20 N2 O10 Zn2 -","- C26 H16 N2 O8 Zn2 -","- C78 H48 N6 O24 Zn6 -","3","0.125","","Kondo, Mio; Takashima, Yohei; Seo, Joobeom; Kitagawa, Susumu; Furukawa, Shuhei","Control over the nucleation process determines the framework topology of porous coordination polymers","CrystEngComm","2010","12","8","2350","","10.1039/c004066e","","","0.71075","MoKα","","0.0929","0.0852","","","0.2446","0.2555","","","","","","1.148","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212714","19.652","0.003","19.652","0.003","22.048","0.004","90","","90","","120","","7374","2","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C30 H62 O43 Tb4 -","- C30 H62.01 O43 Tb4 -","- C180 H372.06 O258 Tb24 -","6","0.333333","","Ou, Yong-Cong; Lin, Zhuo-jia; Tong, Ming-Liang","Unique (H2O)14 water cages with cyclic (H2O)4 tetramer unit trapped in 3D porous lanthanide‒cyclohexanetetracarboxylate frameworks","CrystEngComm","2010","12","12","4020","","10.1039/c004258g","","","0.71073","MoKα","","0.0714","0.0585","","","0.1324","0.1408","","","","","","1.052","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212715","19.6388","0.0011","19.6388","0.0011","21.9696","0.0014","90","","90","","120","","7338.1","0.7","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C30 H62 O43 Yb4 -","- C30 H62.01 O43 Yb4 -","- C180 H372.06 O258 Yb24 -","6","0.333333","","Ou, Yong-Cong; Lin, Zhuo-jia; Tong, Ming-Liang","Unique (H2O)14 water cages with cyclic (H2O)4 tetramer unit trapped in 3D porous lanthanide‒cyclohexanetetracarboxylate frameworks","CrystEngComm","2010","12","12","4020","","10.1039/c004258g","","","0.71073","MoKα","","0.084","0.0678","","","0.1668","0.1811","","","","","","1.019","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212716","19.4352","0.0018","19.4352","0.0018","22.025","0.002","90","","90","","120","","7204.8","1.1","123","2","123","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C30 H62 Dy4 O43 -","- C30 H62.01 Dy4 O43 -","- C180 H372.06 Dy24 O258 -","6","0.333333","","Ou, Yong-Cong; Lin, Zhuo-jia; Tong, Ming-Liang","Unique (H2O)14 water cages with cyclic (H2O)4 tetramer unit trapped in 3D porous lanthanide‒cyclohexanetetracarboxylate frameworks","CrystEngComm","2010","12","12","4020","","10.1039/c004258g","","","0.71073","MoKα","","0.0768","0.052","","","0.1111","0.1231","","","","","","0.978","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212717","11.59","0.003","13.984","0.004","20.498","0.006","105.457","0.006","105.167","0.006","91.229","0.007","3075.6","1.5","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H74 B2 Fe3 N22 O5 -","- C42 H58 B2 Fe3 N20 O2 -","- C84 H116 B4 Fe6 N40 O4 -","2","1","","Mitsumoto, Kiyotaka; Ui, Mayumi; Nihei, Masayuki; Nishikawa, Hiroyuki; Oshio, Hiroki","Single chain magnet of a cyanide bridged FeII/FeIII complex","CrystEngComm","2010","12","10","2697","","10.1039/c004351f","","","0.71073","MoKα","","0.154","0.0908","","","0.2177","0.2433","","","","","","0.909","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212718","7.4451","0.0004","5.9568","0.0003","24.7267","0.0013","90","","96.319","0.001","90","","1089.94","0.1","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","6-hydroxy-2-naphthoic acid 1,4-dioxane solvate","","- C13 H8 O4 -","- C13 H8 O4 -","- C52 H32 O16 -","4","1","","Jacobs, Ayesha; Nassimbeni, Luigi R.; Ramon, Gaëlle; Sebogisi, Baganetsi K.","Inclusion compounds of hydroxynaphthoic acids: co-crystal vs. salt formation","CrystEngComm","2010","12","10","3065","","10.1039/c004458j","","","0.71073","MoKα","","0.0656","0.0565","","","0.1781","0.1899","","","","","","1.084","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212719","9.4013","0.001","10.0069","0.0011","12.2414","0.0013","95.15","0.002","109.037","0.002","90.332","0.002","1083.5","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","6-hydroxy-2-naphthoic acid dimethyl sulphoxide solvate","","- C24 H14 O7 S -","- C24 H14 O7 S -","- C48 H28 O14 S2 -","2","1","","Jacobs, Ayesha; Nassimbeni, Luigi R.; Ramon, Gaëlle; Sebogisi, Baganetsi K.","Inclusion compounds of hydroxynaphthoic acids: co-crystal vs. salt formation","CrystEngComm","2010","12","10","3065","","10.1039/c004458j","","","0.71073","MoKα","","0.0932","0.0685","","","0.1843","0.2046","","","","","","1.041","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212720","9.188","0.0018","10.003","0.002","35.207","0.007","90","","91.23","0.03","90","","3235","1.1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-hydroxy-2-naphthoic acid 1,4-diazabicyclo[2.2.2]octane salt","","- C17 H23 N2 O4.5 -","- C17 H23 N2 O4.5 -","- C136 H184 N16 O36 -","8","2","","Jacobs, Ayesha; Nassimbeni, Luigi R.; Ramon, Gaëlle; Sebogisi, Baganetsi K.","Inclusion compounds of hydroxynaphthoic acids: co-crystal vs. salt formation","CrystEngComm","2010","12","10","3065","","10.1039/c004458j","","","0.71073","MoKα","","0.0757","0.0551","","","0.1526","0.1671","","","","","","1.044","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212721","10.768","0.002","24.064","0.005","9.5656","0.0019","90","","100.12","0.03","90","","2440.1","0.9","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-hydroxy-2-naphthoic acid 1,4-diazabicyclo[2.2.2]octane salt","","- C28 H28 N2 O6 -","- C28 H28 N2 O6 -","- C112 H112 N8 O24 -","4","1","","Jacobs, Ayesha; Nassimbeni, Luigi R.; Ramon, Gaëlle; Sebogisi, Baganetsi K.","Inclusion compounds of hydroxynaphthoic acids: co-crystal vs. salt formation","CrystEngComm","2010","12","10","3065","","10.1039/c004458j","","","0.71073","MoKα","","0.0531","0.0418","","","0.1094","0.118","","","","","","1.029","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212722","8.6982","0.0017","11.373","0.002","11.82","0.002","85.52","0.03","81.69","0.03","87.04","0.03","1152.5","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","2C11H8O3.C6H12N2","3-hydroxy-2-naphthoic acid 1,4-diazabicyclo[2.2.2]octane salt","","- C28 H28 N2 O6 -","- C28 H28 N2 O6 -","- C56 H56 N4 O12 -","2","1","","Jacobs, Ayesha; Nassimbeni, Luigi R.; Ramon, Gaëlle; Sebogisi, Baganetsi K.","Inclusion compounds of hydroxynaphthoic acids: co-crystal vs. salt formation","CrystEngComm","2010","12","10","3065","","10.1039/c004458j","","","0.71073","MoKα","","0.1777","0.0739","","","0.1195","0.1587","","","","","","1.031","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212723","11.469","0.002","11.969","0.002","13.097","0.003","94.36","0.03","102.67","0.03","95.74","0.03","1736.4","0.6","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H26 Br2 Cl Cu N7 S2 -","- C29 H26 Br2 Cl Cu N7 S2 -","- C58 H52 Br4 Cl2 Cu2 N14 S4 -","2","1","","Costa, José Sánchez; Castro, Adriana Gonzalez; Pievo, Roberta; Roubeau, Olivier; Modec, Barbara; Kozlevčar, Bojan; Teat, Simon J.; Gamez, Patrick; Reedijk, Jan","Proficiency of the electron-deficient 1,3,5-triazine ring to generate anion‒π and lone pair‒π interactions","CrystEngComm","2010","12","10","3057","","10.1039/c004478d","","","0.71073","MoKα","","0.0739","0.0423","","","0.0988","0.1084","","","","","","0.959","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212724","8.3369","0.0007","13.57","0.0011","28.493","0.002","90","","90","","90","","3223.5","0.4","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C29 H26 Cl Cu N9 O6 S2 -","- C29 H26 Cl Cu N9 O6 S2 -","- C116 H104 Cl4 Cu4 N36 O24 S8 -","4","1","","Costa, José Sánchez; Castro, Adriana Gonzalez; Pievo, Roberta; Roubeau, Olivier; Modec, Barbara; Kozlevčar, Bojan; Teat, Simon J.; Gamez, Patrick; Reedijk, Jan","Proficiency of the electron-deficient 1,3,5-triazine ring to generate anion‒π and lone pair‒π interactions","CrystEngComm","2010","12","10","3057","","10.1039/c004478d","","","0.7749","synchrotron","","0.0862","0.0771","","","0.1818","0.1853","","","","","","1.229","","","","has coordinates,has disorder","180458","2020-10-21","18:00:00",""
"7212725","27.4547","0.0019","11.8188","0.0007","25.088","0.002","90","","103.849","0.002","90","","7903.9","1","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H78 Cu2 N24 O19 S6 -","- C60 H76 Cu2 N24 O19 S6 -","- C240 H304 Cu8 N96 O76 S24 -","4","0.5","","Costa, José Sánchez; Castro, Adriana Gonzalez; Pievo, Roberta; Roubeau, Olivier; Modec, Barbara; Kozlevčar, Bojan; Teat, Simon J.; Gamez, Patrick; Reedijk, Jan","Proficiency of the electron-deficient 1,3,5-triazine ring to generate anion‒π and lone pair‒π interactions","CrystEngComm","2010","12","10","3057","","10.1039/c004478d","","","0.6911","synchrotron","","0.1051","0.0588","","","0.1637","0.184","","","","","","0.965","","","","has coordinates,has disorder","180458","2020-10-21","18:00:00",""
"7212726","7.6928","0.0015","8.8062","0.0018","11.575","0.002","93.04","0.03","108.7","0.03","91.72","0.03","740.8","0.3","110","2","110","2","","","","","","","","4","P -1","-P 1","2","Form I cocrystal of ethenzamide with ethylmalonic acid","Form I cocrystal of ethenzamide with ethylmalonic acid","","- C14 H19 N O6 -","- C14 H19 N O6 -","- C28 H38 N2 O12 -","2","1","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","Conformational and enantiotropic polymorphism of a 1 : 1 cocrystal involving ethenzamide and ethylmalonic acid","CrystEngComm","2010","12","11","3691","","10.1039/c004491a","","","0.71073","MoKα","","0.0478","0.0458","","","0.118","0.1199","","","","","","1.117","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212727","14.501","0.003","7.6438","0.0015","14.323","0.003","90","","108.45","0.03","90","","1506","0.6","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Form II of ethenzamide and ethylmalonic acid cocrystal","Form II of ethenzamide and ethylmalonic acid cocrystal","","- C14 H19 N O6 -","- C14 H19 N O6 -","- C56 H76 N4 O24 -","4","1","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","Conformational and enantiotropic polymorphism of a 1 : 1 cocrystal involving ethenzamide and ethylmalonic acid","CrystEngComm","2010","12","11","3691","","10.1039/c004491a","","","0.71073","MoKα","","0.1071","0.0962","","","0.2261","0.2345","","","","","","1.286","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212728","14.463","0.003","7.6366","0.0015","14.296","0.003","90","","108.42","0.03","90","","1498.1","0.6","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Form II cocrystal of 1:1 ethenzamide and ethylmalonic acid cocrystal","Form II of ethenzamide and ethylmalonic acid cocrystal","","- C14 H19 N O6 -","- C14 H19 N O6 -","- C56 H76 N4 O24 -","4","1","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","Conformational and enantiotropic polymorphism of a 1 : 1 cocrystal involving ethenzamide and ethylmalonic acid","CrystEngComm","2010","12","11","3691","","10.1039/c004491a","","","0.71073","MoKα","","0.0688","0.0611","","","0.1403","0.1456","","","","","","1.157","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212729","23.717","0.006","23.717","0.006","22.033","0.008","90","","90","","120","","10733","5","273","2","273","2","","","","","","","","8","P 6/m c c","-P 6 2c","192","","","","- C54 H24 Cu3 N6 O50 S12 V3.96 W8.04 -","- C54 H24 Cu3 N6 O50 S12 V3.96 W8.04 -","- C108 H48 Cu6 N12 O100 S24 V7.92 W16.08 -","2","0.0833333","","Wang, Chunling; Ren, Yuanhang; Du, Chengbo; Yue, Bin; Kong, Zuping; Weng, Linhong; He, Heyong","Honeycomb nanoscale-porous material constructed from copper complexes and mixed-addenda Lindqvist-type polyoxoanions","CrystEngComm","2010","12","11","3522","","10.1039/c004543h","","","0.71073","MoKα","","0.1766","0.0728","","","0.2401","0.3215","","","","","","0.919","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212730","26.172","0.005","15.846","0.003","20.566","0.007","90","","110.119","0.002","90","","8009","3","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C40 H0 Ag4 N16 O40 Si W12 -","- C40 Ag4 N16 O40 Si W12 -","- C160 Ag16 N64 O160 Si4 W48 -","4","1","","Xie, Yi-Ming; Yu, Rong-Ming; Wu, Xiao-Yuan; Wang, Fei; Chen, Shan-Ci; Lu, Can-Zhong","A new IR non-linear optical material with 2D 3-fold interpenetrated topology","CrystEngComm","2010","12","11","3490","","10.1039/c004554c","","","0.71073","MoKα","","0.0489","0.0451","","","0.1113","0.1142","","","","","","1.067","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212733","9.6852","0.0019","10.65","0.002","12.977","0.003","112.61","0.03","90.52","0.03","104.61","0.03","1187.3","0.6","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H22 N2 O6 Zn -","- C28 H22 N2 O6 Zn -","- C56 H44 N4 O12 Zn2 -","2","1","","Liu, Dong; Li, Hong-Xi; Liu, Lei-Lei; Wang, He-Ming; Li, Ni-Ya; Ren, Zhi-Gang; Lang, Jian-Ping","How do substituent groups in the 5-position of 1,3-benzenedicarboxylate affect the construction of supramolecular frameworks?","CrystEngComm","2010","12","11","3708","","10.1039/c005322h","","","0.71073","MoKα","","0.0547","0.042","","","0.0832","0.0894","","","","","","1.017","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212734","15.026","0.003","14.484","0.003","12.991","0.003","90","","115.46","0.03","90","","2552.7","1.1","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H20 N2 O6 Zn -","- C29 H20 N2 O6 Zn -","- C116 H80 N8 O24 Zn4 -","4","1","","Liu, Dong; Li, Hong-Xi; Liu, Lei-Lei; Wang, He-Ming; Li, Ni-Ya; Ren, Zhi-Gang; Lang, Jian-Ping","How do substituent groups in the 5-position of 1,3-benzenedicarboxylate affect the construction of supramolecular frameworks?","CrystEngComm","2010","12","11","3708","","10.1039/c005322h","","","0.71073","MoKα","","0.0665","0.054","","","0.1073","0.1135","","","","","","1.123","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212735","33.118","0.007","9.5908","0.0019","16.897","0.003","90","","113.47","0.03","90","","4923","2","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H21 N3 O7 Zn -","- C28 H21 N3 O7 Zn -","- C224 H168 N24 O56 Zn8 -","8","1","","Liu, Dong; Li, Hong-Xi; Liu, Lei-Lei; Wang, He-Ming; Li, Ni-Ya; Ren, Zhi-Gang; Lang, Jian-Ping","How do substituent groups in the 5-position of 1,3-benzenedicarboxylate affect the construction of supramolecular frameworks?","CrystEngComm","2010","12","11","3708","","10.1039/c005322h","","","0.71073","MoKα","","0.0891","0.0694","","","0.1416","0.1499","","","","","","1.186","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212736","29.578","0.006","9.6718","0.0019","18.389","0.004","90","","111.71","0.03","90","","4887","2","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H22 N2 O4 Zn -","- C29 H22 N2 O4 Zn -","- C232 H176 N16 O32 Zn8 -","8","1","","Liu, Dong; Li, Hong-Xi; Liu, Lei-Lei; Wang, He-Ming; Li, Ni-Ya; Ren, Zhi-Gang; Lang, Jian-Ping","How do substituent groups in the 5-position of 1,3-benzenedicarboxylate affect the construction of supramolecular frameworks?","CrystEngComm","2010","12","11","3708","","10.1039/c005322h","","","0.71073","MoKα","","0.1339","0.0866","","","0.2053","0.2396","","","","","","1.102","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212738","13.3285","0.002","18.0188","0.0012","17.3305","0.0012","90","","90","","90","","4162.2","0.7","293","2","293","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C12 H4 Au N4 Na O4 S6 -","- C12 H4 Au N4 Na O4 S6 -","- C96 H32 Au8 N32 Na8 O32 S48 -","8","1","","Bolligarla, Ramababu; Das, Samar K.","Dimensionality of coordination polymers decided by the type of hybridization of the central carbon atom of the solvent molecule that coordinates to an alkali metal cation: from discrete to 3D networks based on a gold(iii) bis(dithiolene) complex","CrystEngComm","2010","12","11","3409","","10.1039/c0ce00097c","","","0.71073","MoKα","","0.0757","0.032","","","0.0743","0.0818","","","","","","0.99","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212739","7.4087","0.0005","9.1583","0.0006","10.1717","0.0007","63.777","0.001","76.735","0.001","86.033","0.001","602.2","0.07","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H20 Au N4 Na O4 S6 -","- C16 H20 Au N4 Na O4 S6 -","- C16 H20 Au N4 Na O4 S6 -","1","0.5","","Bolligarla, Ramababu; Das, Samar K.","Dimensionality of coordination polymers decided by the type of hybridization of the central carbon atom of the solvent molecule that coordinates to an alkali metal cation: from discrete to 3D networks based on a gold(iii) bis(dithiolene) complex","CrystEngComm","2010","12","11","3409","","10.1039/c0ce00097c","","","0.71073","MoKα","","0.0155","0.0155","","","0.0401","0.0401","","","","","","1.125","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212740","8.4687","0.0007","8.6531","0.0007","9.2081","0.0007","106.467","0.001","95.289","0.001","98.941","0.001","632.59","0.09","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H18 Au N6 Na O2 S6 -","- C18 H18 Au N6 Na O2 S6 -","- C18 H18 Au N6 Na O2 S6 -","1","0.5","","Bolligarla, Ramababu; Das, Samar K.","Dimensionality of coordination polymers decided by the type of hybridization of the central carbon atom of the solvent molecule that coordinates to an alkali metal cation: from discrete to 3D networks based on a gold(iii) bis(dithiolene) complex","CrystEngComm","2010","12","11","3409","","10.1039/c0ce00097c","","","0.71073","MoKα","","0.0172","0.0172","","","0.0434","0.0434","","","","","","1.073","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212741","12.9803","0.0014","10.1794","0.0011","8.4481","0.0009","90","","102.981","0.002","90","","1087.7","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 Au N6 Na S6 -","- C16 H10 Au N6 Na S6 -","- C32 H20 Au2 N12 Na2 S12 -","2","0.5","","Bolligarla, Ramababu; Das, Samar K.","Dimensionality of coordination polymers decided by the type of hybridization of the central carbon atom of the solvent molecule that coordinates to an alkali metal cation: from discrete to 3D networks based on a gold(iii) bis(dithiolene) complex","CrystEngComm","2010","12","11","3409","","10.1039/c0ce00097c","","","0.71073","MoKα","","0.0248","0.0218","","","0.046","0.0471","","","","","","1.069","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212742","12.502","0.003","20.211","0.004","9.1833","0.0018","90","","112.49","0.03","90","","2143.9","0.9","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H23 Ag2 N6 O5 -","- C16 H23 Ag2 N6 O5 -","- C64 H92 Ag8 N24 O20 -","4","0.5","","Sun, Di; Xu, Qin-Juan; Ma, Chun-Yin; Zhang, Na; Huang, Rong-Bin; Zheng, Lan-Sun","Self-assembly, thermal stability and photoluminescence of two mixed-ligand silver(i) networks via 2D →2D and 2D →3D parallel interpenetration of (4,4) nets","CrystEngComm","2010","12","12","4161","","10.1039/c0ce00017e","","","0.71073","MoKα","","0.0973","0.0593","","","0.1264","0.1417","","","","","","1.049","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212743","11.699","0.002","11.427","0.002","18.68","0.004","90","","108.18","0.03","90","","2372.6","0.9","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 Ag2 N6 O6 -","- C20 H26 Ag2 N6 O6 -","- C80 H104 Ag8 N24 O24 -","4","1","","Sun, Di; Xu, Qin-Juan; Ma, Chun-Yin; Zhang, Na; Huang, Rong-Bin; Zheng, Lan-Sun","Self-assembly, thermal stability and photoluminescence of two mixed-ligand silver(i) networks via 2D →2D and 2D →3D parallel interpenetration of (4,4) nets","CrystEngComm","2010","12","12","4161","","10.1039/c0ce00017e","","","0.71073","MoKα","","0.0555","0.0353","","","0.0778","0.0858","","","","","","0.999","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212744","9.2609","0.0002","11.1853","0.0003","11.6126","0.0003","61.935","0.001","89.574","0.001","88.945","0.002","1061.28","0.05","100","2","100","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C21 H21 As I2 -","- C21 H21 As I2 -","- C42 H42 As2 I4 -","2","1","","Barnes, Nicholas A.; Flower, Kevin R.; Godfrey, Stephen M.; Hurst, Paul A.; Khan, Rana Z.; Pritchard, Robin G.","Structural relationships between o-, m- and p-tolyl substituted R3EI2 (E = As, P) and [(R3E)AuX] (E = As, P; X = Cl, Br, I)","CrystEngComm","2010","12","12","4240","","10.1039/c0ce00024h","","x-ray","0.71073","MoKα","","0.097","0.0673","","","0.1538","0.1791","","","","","","1.143","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212745","11.0385","0.0006","13.8805","0.0008","13.4773","0.0009","90","","90","","90","","2065","0.2","100","2","100","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 I2 P -","- C21 H21 I2 P -","- C84 H84 I8 P4 -","4","1","","Barnes, Nicholas A.; Flower, Kevin R.; Godfrey, Stephen M.; Hurst, Paul A.; Khan, Rana Z.; Pritchard, Robin G.","Structural relationships between o-, m- and p-tolyl substituted R3EI2 (E = As, P) and [(R3E)AuX] (E = As, P; X = Cl, Br, I)","CrystEngComm","2010","12","12","4240","","10.1039/c0ce00024h","","x-ray","0.71073","MoKα","","0.0799","0.0597","","","0.1512","0.1708","","","","","","1.129","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212746","11.619","0.0003","12.2125","0.0003","18.4827","0.0005","90","","126.564","0.001","90","","2106.48","0.1","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 As I2 -","- C21 H21 As I2 -","- C84 H84 As4 I8 -","4","1","","Barnes, Nicholas A.; Flower, Kevin R.; Godfrey, Stephen M.; Hurst, Paul A.; Khan, Rana Z.; Pritchard, Robin G.","Structural relationships between o-, m- and p-tolyl substituted R3EI2 (E = As, P) and [(R3E)AuX] (E = As, P; X = Cl, Br, I)","CrystEngComm","2010","12","12","4240","","10.1039/c0ce00024h","","x-ray","0.71073","MoKα","","0.121","0.0809","","","0.2018","0.238","","","","","","1.186","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212747","11.4271","0.0004","12.1665","0.0005","18.3475","0.0007","90","","126.422","0.002","90","","2052.55","0.15","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 I2 P -","- C21 H21 I2 P -","- C84 H84 I8 P4 -","4","1","","Barnes, Nicholas A.; Flower, Kevin R.; Godfrey, Stephen M.; Hurst, Paul A.; Khan, Rana Z.; Pritchard, Robin G.","Structural relationships between o-, m- and p-tolyl substituted R3EI2 (E = As, P) and [(R3E)AuX] (E = As, P; X = Cl, Br, I)","CrystEngComm","2010","12","12","4240","","10.1039/c0ce00024h","","x-ray","0.71073","MoKα","","0.1287","0.074","","","0.146","0.1832","","","","","","1.193","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212748","13.8475","0.0002","19.8474","0.0002","27.5","0.0004","90","","90","","90","","7558.01","0.17","100","2","100","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C21 H21 As Au Cl -","- C21 H21 As Au Cl -","- C336 H336 As16 Au16 Cl16 -","16","2","","Barnes, Nicholas A.; Flower, Kevin R.; Godfrey, Stephen M.; Hurst, Paul A.; Khan, Rana Z.; Pritchard, Robin G.","Structural relationships between o-, m- and p-tolyl substituted R3EI2 (E = As, P) and [(R3E)AuX] (E = As, P; X = Cl, Br, I)","CrystEngComm","2010","12","12","4240","","10.1039/c0ce00024h","","x-ray","0.71073","MoKα","","0.1032","0.0674","","","0.1647","0.1894","","","","","","1.206","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212749","17.5637","0.0005","23.2693","0.0006","17.8248","0.0004","90","","91.029","0.002","90","","7283.7","0.3","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C64 H70 Co F12 N10 O6 P2 -","- C64 H70 Co F12 N10 O6 P2 -","- C256 H280 Co4 F48 N40 O24 P8 -","4","1","","Scicluna, Todd R.; Fraser, Benjamin H.; Gorham, Nicole T.; MacLellan, Jonathan G.; Massi, Massimiliano; Skelton, Brian W.; St Pierre, Timothy G.; Woodward, Robert C.","Di[2,6-bis(5-phenylpyrazol-3-yl)pyridine]Co(II): an old coordination mode for a novel supramolecular assembly","CrystEngComm","2010","12","11","3422","","10.1039/c0ce00036a","","","0.71073","MoKα","","0.2357","0.0695","","","0.1772","0.2158","","","","","","0.796","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212750","26.0796","0.0003","26.0796","0.0003","17.9843","0.0005","90","","90","","90","","12231.9","0.4","123","2","123","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C140 H106 Cl4 Co F12 N30 P2 -","- C140 H106 Cl4 Co F12 N30 P2 -","- C560 H424 Cl16 Co4 F48 N120 P8 -","4","0.25","","Scicluna, Todd R.; Fraser, Benjamin H.; Gorham, Nicole T.; MacLellan, Jonathan G.; Massi, Massimiliano; Skelton, Brian W.; St Pierre, Timothy G.; Woodward, Robert C.","Di[2,6-bis(5-phenylpyrazol-3-yl)pyridine]Co(II): an old coordination mode for a novel supramolecular assembly","CrystEngComm","2010","12","11","3422","","10.1039/c0ce00036a","","","0.71073","MoKα","","0.151","0.0869","","","0.2372","0.2916","","","","","","1.039","","","","has coordinates,has disorder","180458","2020-10-21","18:00:00",""
"7212751","13.7595","0.0006","14.2594","0.0006","10.4876","0.0004","90","","115.367","0.001","90","","1859.29","0.13","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Salicylaldehyde thiosemicarbazone 0.17hydrate; (E)-2-(2- hydroxybenzylidene)hydrazinecarbothioamide 0.17hydrate","Salicylaldehyde thiosemicarbazone 0.17hydrate; (E)-2-(2-hydroxybenzylidene)hydrazinecarbothioamide 0.17hydrate","","- C8 H9.34 N3 O1.17 S -","- C8 H9.34 N3 O1.17 S -","- C64 H74.72 N24 O9.36 S8 -","8","1","","Monfared, Hassan Hosseini; Chamayou, Anne-Christine; Khajeh, Soliman; Janiak, Christoph","Can a small amount of crystal solvent be overlooked or have no structural effect? Isomorphous non-stoichiometric hydrates (pseudo-polymorphs): the case of salicylaldehyde thiosemicarbazone","CrystEngComm","2010","12","11","3526","","10.1039/c0ce00041h","","","0.71073","MoKα","","0.0385","0.0341","","","0.0857","0.0888","","","","","","1.066","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212752","13.9737","0.0004","14.2331","0.0004","10.4655","0.0002","90","","115.781","0.002","90","","1874.29","0.09","203","2","203","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Salicylaldehyde thiosemicarbazone 0.17hydrate; (E)-2-(2-hydroxybenzylidene)hydrazinecarbothioamide 0.095hydrate","","- C8 H9.19 N3 O1.1 S -","- C8 H9.19 N3 O1.095 S -","- C64 H73.52 N24 O8.76 S8 -","8","1","","Monfared, Hassan Hosseini; Chamayou, Anne-Christine; Khajeh, Soliman; Janiak, Christoph","Can a small amount of crystal solvent be overlooked or have no structural effect? Isomorphous non-stoichiometric hydrates (pseudo-polymorphs): the case of salicylaldehyde thiosemicarbazone","CrystEngComm","2010","12","11","3526","","10.1039/c0ce00041h","","","0.71073","MoKα","","0.0568","0.0391","","","0.0932","0.1028","","","","","","1.058","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212753","13.8383","0.0016","14.3405","0.0017","10.5113","0.0012","90","","114.986","0.004","90","","1890.7","0.4","203","2","203","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Salicylaldehyde thiosemicarbazone 0.20hydrate; (E)-2-(2-hydroxybenzylidene)hydrazinecarbothioamide 0.20hydrate","","- C8 H9.4 N3 O1.2 S -","- C8 H9.4 N3 O1.2 S -","- C64 H75.2 N24 O9.6 S8 -","8","1","","Monfared, Hassan Hosseini; Chamayou, Anne-Christine; Khajeh, Soliman; Janiak, Christoph","Can a small amount of crystal solvent be overlooked or have no structural effect? Isomorphous non-stoichiometric hydrates (pseudo-polymorphs): the case of salicylaldehyde thiosemicarbazone","CrystEngComm","2010","12","11","3526","","10.1039/c0ce00041h","","","0.71073","MoKα","","0.0556","0.0434","","","0.1109","0.1198","","","","","","1.039","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212754","6.6153","0.0014","7.9832","0.0017","11.143","0.003","90","","99.763","0.005","90","","580","0.2","120","2","120","2","","","","","","","","5","P 1 n 1","P -2yac","7","","AR-1g-3 2-aminopyridine, 4-chlorobenzoic acid","","- C12 H11 Cl N2 O2 -","- C12 H11 Cl N2 O2 -","- C24 H22 Cl2 N4 O4 -","2","1","","Aakeröy, Christer B.; Rajbanshi, Arbin; Li, Z. Jane; Desper, John","Mapping out the synthetic landscape for re-crystallization, co-crystallization and salt formation","CrystEngComm","2010","12","12","4231","","10.1039/c0ce00052c","","","0.71073","MoKα","","0.0322","0.0297","","","0.0771","0.079","","","","","","1.087","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212755","8.2382","0.0006","7.3603","0.0005","17.7902","0.0011","90","","102.979","0.003","90","","1051.16","0.12","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","AR-1g-15 2-aminopyridine, HOOC-(CH2)8-COOH","","- C20 H30 N4 O4 -","- C20 H30 N4 O4 -","- C40 H60 N8 O8 -","2","0.5","","Aakeröy, Christer B.; Rajbanshi, Arbin; Li, Z. Jane; Desper, John","Mapping out the synthetic landscape for re-crystallization, co-crystallization and salt formation","CrystEngComm","2010","12","12","4231","","10.1039/c0ce00052c","","","0.71073","MoKα","","0.0474","0.04","","","0.11","0.1159","","","","","","1.091","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212756","12.3903","0.0008","5.6871","0.0003","18.029","0.0011","90","","90","","90","","1270.41","0.13","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","AR-cc-1a-1 2-amino-5-bromopyridine, 4-NC-PhCOOH","","- C13 H10 Br N3 O2 -","- C13 H10 Br N3 O2 -","- C52 H40 Br4 N12 O8 -","4","1","","Aakeröy, Christer B.; Rajbanshi, Arbin; Li, Z. Jane; Desper, John","Mapping out the synthetic landscape for re-crystallization, co-crystallization and salt formation","CrystEngComm","2010","12","12","4231","","10.1039/c0ce00052c","","","0.71073","MoKα","","0.0409","0.0331","","","0.0735","0.0756","","","","","","0.991","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212757","7.9727","0.0005","6.2956","0.0004","24.6286","0.0015","90","","90.58","0.004","90","","1236.12","0.13","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","ARcc-1a-aa5 2-amino-5-bromopyridine, 4-nitrobenzoic acid","","- C12 H10 Br N3 O4 -","- C12 H10 Br N3 O4 -","- C48 H40 Br4 N12 O16 -","4","1","","Aakeröy, Christer B.; Rajbanshi, Arbin; Li, Z. Jane; Desper, John","Mapping out the synthetic landscape for re-crystallization, co-crystallization and salt formation","CrystEngComm","2010","12","12","4231","","10.1039/c0ce00052c","","","0.71073","MoKα","","0.0562","0.0478","","","0.1243","0.1281","","","","","","1.198","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212758","3.9019","0.0002","12.5454","0.0008","16.926","0.001","73.128","0.003","86.428","0.003","85.881","0.003","790.08","0.08","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","ARcc-1c-aa6 N-(5-bromo-2-pyridyl)propionamide, 3,4-Cl2-PhCOOH","","- C15 H13 Br Cl2 N2 O3 -","- C15 H13 Br Cl2 N2 O3 -","- C30 H26 Br2 Cl4 N4 O6 -","2","1","","Aakeröy, Christer B.; Rajbanshi, Arbin; Li, Z. Jane; Desper, John","Mapping out the synthetic landscape for re-crystallization, co-crystallization and salt formation","CrystEngComm","2010","12","12","4231","","10.1039/c0ce00052c","","","0.71073","MoKα","","0.0295","0.025","","","0.0652","0.0674","","","","","","1.037","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212759","5.3172","0.0002","8.6548","0.0003","14.9927","0.0006","101.97","0.002","93.037","0.002","100.816","0.002","659.92","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(N-5-bromo-2-pyridyl)-propionamide)2, octanedioic acid","","- C24 H32 Br2 N4 O6 -","- C24 H32 Br2 N4 O6 -","- C24 H32 Br2 N4 O6 -","1","0.5","","Aakeröy, Christer B.; Rajbanshi, Arbin; Li, Z. Jane; Desper, John","Mapping out the synthetic landscape for re-crystallization, co-crystallization and salt formation","CrystEngComm","2010","12","12","4231","","10.1039/c0ce00052c","","","0.71073","MoKα","","0.0283","0.023","","","0.0543","0.0567","","","","","","1.001","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212760","4.8333","0.0003","9.5923","0.0005","23.7901","0.0012","90","","90.961","0.002","90","","1102.81","0.11","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","AR-1c-aa13 [N-(5-bromo-2-pyridyl)propionamide]2, fumaric acid","","- C20 H22 Br2 N4 O6 -","- C20 H22 Br2 N4 O6 -","- C40 H44 Br4 N8 O12 -","2","0.5","","Aakeröy, Christer B.; Rajbanshi, Arbin; Li, Z. Jane; Desper, John","Mapping out the synthetic landscape for re-crystallization, co-crystallization and salt formation","CrystEngComm","2010","12","12","4231","","10.1039/c0ce00052c","","","0.71073","MoKα","","0.0423","0.0296","","","0.0628","0.0669","","","","","","1.037","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212761","13.8624","0.0015","13.9754","0.0016","24.726","0.003","95.707","0.008","90.355","0.007","101.437","0.007","4670.2","0.9","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","AR-1c-aa-14 N-(5-bromo-2-pyridyl)-propionamide, succinic acid","","- C20 H24 Br2 N4 O6 -","- C20 H24 Br2 N4 O6 -","- C160 H192 Br16 N32 O48 -","8","4","","Aakeröy, Christer B.; Rajbanshi, Arbin; Li, Z. Jane; Desper, John","Mapping out the synthetic landscape for re-crystallization, co-crystallization and salt formation","CrystEngComm","2010","12","12","4231","","10.1039/c0ce00052c","","","0.71073","MoKα","","0.3711","0.1567","","","0.3532","0.448","","","","","","1.164","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212762","5.1849","0.0004","11.4665","0.0008","12.487","0.0009","71.293","0.002","81.204","0.002","88.593","0.002","694.66","0.09","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","AR-BI-C4 N-(5-bromo-2-pyridyl)propionamide, HOOC-(CH2)8-COOH","","- C26 H36 Br2 N4 O6 -","- C26 H36 Br2 N4 O6 -","- C26 H36 Br2 N4 O6 -","1","0.5","","Aakeröy, Christer B.; Rajbanshi, Arbin; Li, Z. Jane; Desper, John","Mapping out the synthetic landscape for re-crystallization, co-crystallization and salt formation","CrystEngComm","2010","12","12","4231","","10.1039/c0ce00052c","","","0.71073","MoKα","","0.0426","0.0313","","","0.0708","0.0758","","","","","","0.985","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212763","7.3849","0.0005","31.34","0.002","13.3082","0.0009","90","","90.344","0.003","90","","3080","0.4","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","AR-1i-9 2-amino-3,5-dibromopyridine, 3,5-dinitrobenzoic acid","","- C12 H8 Br2 N4 O6 -","- C12 H8 Br2 N4 O6 -","- C96 H64 Br16 N32 O48 -","8","2","","Aakeröy, Christer B.; Rajbanshi, Arbin; Li, Z. Jane; Desper, John","Mapping out the synthetic landscape for re-crystallization, co-crystallization and salt formation","CrystEngComm","2010","12","12","4231","","10.1039/c0ce00052c","","","0.71073","MoKα","","0.0556","0.0364","","","0.0866","0.0928","","","","","","1.049","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212764","14.0298","0.001","3.8527","0.0003","17.5918","0.0013","90","","102.337","0.003","90","","928.92","0.12","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","AR-1i-13 2-amino-3,5-dibromopyridine, fumaric acid","","- C14 H12 Br4 N4 O4 -","- C14 H12 Br4 N4 O4 -","- C28 H24 Br8 N8 O8 -","2","0.5","","Aakeröy, Christer B.; Rajbanshi, Arbin; Li, Z. Jane; Desper, John","Mapping out the synthetic landscape for re-crystallization, co-crystallization and salt formation","CrystEngComm","2010","12","12","4231","","10.1039/c0ce00052c","","","0.71073","MoKα","","0.0268","0.0211","","","0.0501","0.0521","","","","","","1.017","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212765","4.9878","0.0003","9.9931","0.0007","11.4625","0.0008","113.25","0.005","92.103","0.005","93.352","0.005","522.92","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(N-5-bromo-2-pyridyl)-acetamide)2, fumaric acid","","- C18 H20 Br2 N4 O6 -","- C18 H20 Br2 N4 O6 -","- C18 H20 Br2 N4 O6 -","1","0.5","","Aakeröy, Christer B.; Rajbanshi, Arbin; Li, Z. Jane; Desper, John","Mapping out the synthetic landscape for re-crystallization, co-crystallization and salt formation","CrystEngComm","2010","12","12","4231","","10.1039/c0ce00052c","","","0.71073","MoKα","","0.0784","0.0414","","","0.084","0.0973","","","","","","0.978","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212766","9.0752","0.0005","9.0752","0.0005","27.014","0.003","90","","90","","90","","2224.9","0.3","293","2","293","2","","","","","","","","5","P 43","P 4cw","78","","","","- C23 H20 Cd N6 O6 -","- C23 H16 Cd N6 O6 -","- C92 H64 Cd4 N24 O24 -","4","1","","Su, Zhi; Chen, Man-Sheng; Fan, Jian; Chen, Min; Chen, Shui-Sheng; Luo, Li; Sun, Wei-Yin","Spontaneous resolution of two homochiral ferroelectric cadmium(ii) frameworks and an achiral framework from a one-pot reaction involving achiral rigid ligands","CrystEngComm","2010","12","7","2040","","10.1039/c0ce00054j","","","0.71073","MoKα","","0.0417","0.0389","","","0.0897","0.0914","","","","","","0.959","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212767","9.0723","0.001","9.0723","0.001","27.01","0.004","90","","90","","90","","2223.1","0.5","293","2","293","2","","","","","","","","5","P 41","P 4w","76","","","","- C23 H20 Cd N6 O6 -","- C23 H16 Cd N6 O6 -","- C92 H64 Cd4 N24 O24 -","4","1","","Su, Zhi; Chen, Man-Sheng; Fan, Jian; Chen, Min; Chen, Shui-Sheng; Luo, Li; Sun, Wei-Yin","Spontaneous resolution of two homochiral ferroelectric cadmium(ii) frameworks and an achiral framework from a one-pot reaction involving achiral rigid ligands","CrystEngComm","2010","12","7","2040","","10.1039/c0ce00054j","","","0.71073","MoKα","","0.0321","0.031","","","0.0665","0.067","","","","","","1.083","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212768","9.0071","0.0009","11.7465","0.0011","16.1238","0.0015","83.866","0.002","74.062","0.004","69.246","0.002","1533.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H26 Cd2 N6 O11 -","- C31 H20 Cd2 N6 O11 -","- C62 H40 Cd4 N12 O22 -","2","1","","Su, Zhi; Chen, Man-Sheng; Fan, Jian; Chen, Min; Chen, Shui-Sheng; Luo, Li; Sun, Wei-Yin","Spontaneous resolution of two homochiral ferroelectric cadmium(ii) frameworks and an achiral framework from a one-pot reaction involving achiral rigid ligands","CrystEngComm","2010","12","7","2040","","10.1039/c0ce00054j","","","0.71073","MoKα","","0.0447","0.0369","","","0.0927","0.1025","","","","","","1.072","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212769","17.034","0.003","3.893","0.0006","7.3497","0.0011","90","","90","","90","","487.38","0.14","100","2","100","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C14 H8 O3 -","- C14 H8 O3 -","- C28 H16 O6 -","2","0.5","","Kinuta, Takafumi; Sato, Tomohiro; Tajima, Nobuo; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Chiral crystallization of ether- and imide-bridged biphenyl compounds without any outside chiral source","CrystEngComm","2010","12","11","3483","","10.1039/c0ce00055h","","","0.71073","MoKα","","0.0418","0.0373","","","0.086","0.0877","","","","","","1.007","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212770","4.0648","0.0004","15.6753","0.0014","21.9435","0.0019","90","","90","","90","","1398.2","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H13 N O2 -","- C20 H13 N O2 -","- C80 H52 N4 O8 -","4","1","","Kinuta, Takafumi; Sato, Tomohiro; Tajima, Nobuo; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Chiral crystallization of ether- and imide-bridged biphenyl compounds without any outside chiral source","CrystEngComm","2010","12","11","3483","","10.1039/c0ce00055h","","","0.71073","MoKα","","0.0439","0.0364","","","0.0751","0.0765","","","","","","0.924","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212771","3.9147","0.0007","22.823","0.004","15.634","0.003","90","","90","","90","","1396.8","0.4","100","2","100","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C19 H12 N2 O2 -","- C19 H12 N2 O2 -","- C76 H48 N8 O8 -","4","0.5","","Kinuta, Takafumi; Sato, Tomohiro; Tajima, Nobuo; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Chiral crystallization of ether- and imide-bridged biphenyl compounds without any outside chiral source","CrystEngComm","2010","12","11","3483","","10.1039/c0ce00055h","","","0.71073","MoKα","","0.1492","0.133","","","0.2422","0.2483","","","","","","1.278","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212772","15.071","0.017","15.071","0.017","28.95","0.04","90","","90","","120","","5695","12","100","","100","","","","","","","","","2","P 61","P 61","169","","","","- C48 H42 -","- C48 H42 -","- C288 H252 -","6","1","","Tohaya, Taichi; Katagiri, Kosuke; Katoh, Junya; Masu, Hyuma; Tominaga, Masahide; Azumaya, Isao","Polymorphism or pseudopolymorphism of a macrocyclic compound: helical structure, layered structure and pseudorotaxane constructed by weak intermolecular interactions","CrystEngComm","2010","12","11","3493","","10.1039/c0ce00058b","","","0.71073","MoKα","","0.1078","0.0615","","","0.1447","0.1885","","","","","","1.166","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212773","11.9511","0.0013","24.458","0.003","13.2818","0.0014","90","","113.4","0.001","90","","3563","0.7","150","","150","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C48 H42 -","- C48 H42 -","- C192 H168 -","4","1","","Tohaya, Taichi; Katagiri, Kosuke; Katoh, Junya; Masu, Hyuma; Tominaga, Masahide; Azumaya, Isao","Polymorphism or pseudopolymorphism of a macrocyclic compound: helical structure, layered structure and pseudorotaxane constructed by weak intermolecular interactions","CrystEngComm","2010","12","11","3493","","10.1039/c0ce00058b","","","0.71073","MoKα","","0.1139","0.0547","","","0.1388","0.1742","","","","","","1.009","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212774","14.762","0.009","15.1","0.009","22.115","0.013","77.181","0.012","74.946","0.011","62.186","0.009","4181","4","150","","150","","","","","","","","","2","P -1","-P 1","2","","","","- C54 H56 -","- C54 H56 -","- C216 H224 -","4","2","","Tohaya, Taichi; Katagiri, Kosuke; Katoh, Junya; Masu, Hyuma; Tominaga, Masahide; Azumaya, Isao","Polymorphism or pseudopolymorphism of a macrocyclic compound: helical structure, layered structure and pseudorotaxane constructed by weak intermolecular interactions","CrystEngComm","2010","12","11","3493","","10.1039/c0ce00058b","","","0.71073","MoKα","","0.2878","0.0849","","","0.1836","0.2262","","","","","","0.802","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212775","11.385","0.003","14.405","0.004","14.984","0.004","115.121","0.004","95.522","0.004","109.93","0.004","2006.2","0.9","120","","120","","","","","","","","","3","P -1","-P 1","2","","","","- C52 H50 O2 -","- C52 H50 O2 -","- C104 H100 O4 -","2","1","","Tohaya, Taichi; Katagiri, Kosuke; Katoh, Junya; Masu, Hyuma; Tominaga, Masahide; Azumaya, Isao","Polymorphism or pseudopolymorphism of a macrocyclic compound: helical structure, layered structure and pseudorotaxane constructed by weak intermolecular interactions","CrystEngComm","2010","12","11","3493","","10.1039/c0ce00058b","","","0.71073","MoKα","","0.1252","0.0831","","","0.2373","0.2665","","","","","","1.069","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212776","22.9885","0.0013","22.9885","0.0013","21.3679","0.0014","90","","90","","120","","9779.4","1","173","2","173","2","","","","","","","","7","P -6 2 c","P -6c -2c","190","","","","- H150 K12 O239 P6 Rb6 V8 W39 -","- K11.982 O203 P6 Rb6 V8 W39 -","- K23.964 O406 P12 Rb12 V16 W78 -","2","0.166667","","Assran, Awatef S.; Izarova, Natalya V.; Kortz, Ulrich","Mixed-valent vanadium substituted polyoxometalates: the wheel shaped [Rb3⊂{VVVIV3O7(H2O)6}2{H6P6W39O147(H2O)3}]15−","CrystEngComm","2010","12","10","2684","","10.1039/c0ce00068j","","","0.71073","MoKα","","0.0574","0.045","","","0.105","0.1128","","","","","","1.104","","","","has coordinates,has disorder","180458","2020-10-21","18:00:00",""
"7212777","14.043","0.003","18.608","0.005","24.308","0.006","90","","100.143","0.017","90","","6253","3","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C49 H29 Ba2 F24 N14 O9 -","- C49 H25 Ba2 F24 N14 O9 -","- C196 H100 Ba8 F96 N56 O36 -","4","1","","Pointillart, Fabrice; Boubekeur, Kamal; Herson, Patrick; Train, Cyrille","Barium one-dimensional coordination polymers from barium β-diketonates and 2,2′-bipyrimidine derivatives","CrystEngComm","2010","12","11","3430","","10.1039/c0ce00076k","","","0.71073","MoKα","","0.0879","0.0487","","0.0898","0.0529","0.0529","","","","","","1.0408","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212778","11.9876","0.0011","12.0698","0.0007","12.3219","0.0007","66.622","0.008","86.49","0.006","77.145","0.009","1594.7","0.2","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H14 Ba F12 N8 O4 -","- C26 H14 Ba F12 N8 O4 -","- C52 H28 Ba2 F24 N16 O8 -","2","1","","Pointillart, Fabrice; Boubekeur, Kamal; Herson, Patrick; Train, Cyrille","Barium one-dimensional coordination polymers from barium β-diketonates and 2,2′-bipyrimidine derivatives","CrystEngComm","2010","12","11","3430","","10.1039/c0ce00076k","","","0.71073","MoKα","","0.1062","0.0694","","0.1091","0.0777","0.0777","","","","","","1.0595","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212779","11.739","0.001","13.346","0.0009","19.504","0.0017","81.75","0.005","85.689","0.006","72.637","0.005","2884.6","0.4","250","2","250","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H16 Ba F12 N4 O4 -","- C22 H16 Ba F12 N4 O4 -","- C88 H64 Ba4 F48 N16 O16 -","4","2","","Pointillart, Fabrice; Boubekeur, Kamal; Herson, Patrick; Train, Cyrille","Barium one-dimensional coordination polymers from barium β-diketonates and 2,2′-bipyrimidine derivatives","CrystEngComm","2010","12","11","3430","","10.1039/c0ce00076k","","","0.71073","MoKα","","0.1263","0.0467","","","0.1065","0.1297","","","","","","1.004","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212780","15.015","0.003","23.777","0.005","16.319","0.003","90","","92.23","0.03","90","","5822","2","291","2","291","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C6 H18 K2 Na7 O50 Ru S3 V2 W7 -","- C6 H18 K2 Na5.5 O50 Ru S3 V2 W7 -","- C24 H72 K8 Na22 O200 Ru4 S12 V8 W28 -","4","1","","Bi, Li-Hua; Wang, Bin; Hou, Guang-Feng; Li, Bao; Wu, Li-Xin","A novel heptatungstovanadate fragment stabilized by organo-ruthenium group: [HVW7O28Ru(dmso)3]6−","CrystEngComm","2010","12","11","3511","","10.1039/c0ce00087f","","","0.71073","MoKα","","0.0537","0.0471","","","0.1059","0.1084","","","","","","1.105","","","","has coordinates,has disorder","180458","2020-10-21","18:00:00",""
"7212781","8.5968","0.0008","9.756","0.0009","23.391","0.002","90","","90","","90","","1961.8","0.3","293","1","293","1","","","","","","","see text","3","P 21 21 21","P 2ac 2ab","19","TADDOL FORM A","TADDOL FORM A","","- C21 H26 O4 -","- C21 H26 O4 -","- C84 H104 O16 -","4","1","","Prasad, Kavirayani R.; Chandrakumar, Appayee; Dikundwar, Amol G.; Guru Row, T. N.","Polymorphism in a TADDOL analogue induced by the presence of a chiral impurity","CrystEngComm","2010","12","11","3452","","10.1039/c0ce00103a","","x-ray","0.71073","MoKα","","0.0664","0.0526","","","0.1068","0.1115","","","","","","1.15","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212782","10.882","0.002","7.4911","0.0015","12.618","0.003","90","","110.599","0.003","90","","962.8","0.3","293","1","293","1","","","","","","","see text","3","P 1 21 1","P 2yb","4","TADDOL FORM B","TADDOL FORM B","","- C21 H26 O4 -","- C21 H26 O4 -","- C42 H52 O8 -","2","1","","Prasad, Kavirayani R.; Chandrakumar, Appayee; Dikundwar, Amol G.; Guru Row, T. N.","Polymorphism in a TADDOL analogue induced by the presence of a chiral impurity","CrystEngComm","2010","12","11","3452","","10.1039/c0ce00103a","","x-ray","0.71073","MoKα","","0.0398","0.0342","","","0.0784","0.0815","","","","","","1.057","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212783","14.626","0.003","17.129","0.003","9.684","0.0019","90","","90","","90","","2426.1","0.8","293","2","293","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C8 H62 Mo6 N8 O40 P4 -","- C8 H38 Mo6 N8 O40 P4 -","- C16 H76 Mo12 N16 O80 P8 -","2","0.5","","Tan, Hua-Qiao; Chen, Wei-Lin; Liu, Ding; Li, Yang-Guang; Wang, En-Bo","Spontaneous resolution of a new diphosphonate-functionalized polyoxomolybdate","CrystEngComm","2010","12","12","4017","","10.1039/c0ce00104j","","","0.71073","MoKα","","0.0555","0.0459","","","0.1117","0.1175","","","","","","0.996","","","","has coordinates,has disorder","180458","2020-10-21","18:00:00",""
"7212784","14.615","0.003","17.148","0.003","9.6756","0.0019","90","","90","","90","","2424.9","0.8","293","2","293","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C8 H62 Mo6 N8 O40 P4 -","- C8 H38 Mo6 N8 O40 P4 -","- C16 H76 Mo12 N16 O80 P8 -","2","0.5","","Tan, Hua-Qiao; Chen, Wei-Lin; Liu, Ding; Li, Yang-Guang; Wang, En-Bo","Spontaneous resolution of a new diphosphonate-functionalized polyoxomolybdate","CrystEngComm","2010","12","12","4017","","10.1039/c0ce00104j","","","0.71073","MoKα","","0.0424","0.0396","","","0.1046","0.1066","","","","","","0.999","","","","has coordinates,has disorder","180458","2020-10-21","18:00:00",""
"7212785","8.5636","0.0015","9.392","0.006","28.1899","0.0017","90","","90","","90","","2267.3","1.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","1,3-dihexyl-benzimidazolium hexaflorophosphate","","","- C19 H31 F6 N2 P -","- C19 H31 F6 N2 P -","- C76 H124 F24 N8 P4 -","4","1","","Lee, Kwang-Ming; Lee, Ching-Kuan; Lin, Ivan J. B.","N,N′-Dihexylbenzimidazolium salts. Anion-controlled bilayer structures viaπ‒π dimer or C‒H⋯π catemer motifs","CrystEngComm","2010","12","12","4347","","10.1039/c0ce00105h","","","0.71073","MoKα","","0.1643","0.0829","","","0.1889","0.247","","","","","","0.995","","","","has coordinates,has disorder","180458","2020-10-21","18:00:00",""
"7212786","9.096","0.01","9.1414","0.0014","13.805","0.003","71.505","0.015","78.19","0.05","76.7","0.03","1048.6","1.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H33 Br N2 O -","- C19 H33 Br N2 O -","- C38 H66 Br2 N4 O2 -","2","1","","Lee, Kwang-Ming; Lee, Ching-Kuan; Lin, Ivan J. B.","N,N′-Dihexylbenzimidazolium salts. Anion-controlled bilayer structures viaπ‒π dimer or C‒H⋯π catemer motifs","CrystEngComm","2010","12","12","4347","","10.1039/c0ce00105h","","","0.71073","MoKα","","0.085","0.0546","","","0.1343","0.1516","","","","","","1.011","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212787","9.288","0.007","13.7946","0.0013","18.739","0.003","69.402","0.014","76.16","0.03","86.15","0.03","2181.8","1.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H32 I N2 O0.5 -","- C19 H32 I N2 O0.5 -","- C76 H128 I4 N8 O2 -","4","2","","Lee, Kwang-Ming; Lee, Ching-Kuan; Lin, Ivan J. B.","N,N′-Dihexylbenzimidazolium salts. Anion-controlled bilayer structures viaπ‒π dimer or C‒H⋯π catemer motifs","CrystEngComm","2010","12","12","4347","","10.1039/c0ce00105h","","","0.71073","MoKα","","0.0713","0.0497","","","0.1363","0.1457","","","","","","0.992","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212788","20.364","0.0005","7.789","0.0002","31.103","0.0007","90","","91.8689","0.0014","90","","4930.8","0.2","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","Co-crystal of lithocholic acid and lithocholic acid-melamine salt","","","- C51 H86 N6 O6 -","- C51 H86 N6 O6 -","- C204 H344 N24 O24 -","4","2","","Ikonen, Satu; Nonappa,; Kolehmainen, Erkki","Supramolecular architectures formed by co-crystallization of bile acids and melamine","CrystEngComm","2010","12","12","4304","","10.1039/c0ce00108b","","","0.71073","MoKα","","0.1566","0.079","","","0.1419","0.1708","","","","","","1.03","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212789","20.0656","0.0003","7.6866","0.001","20.2789","0.0003","90","","115.305","0.0009","90","","2827.6","0.4","123","2","123","2","","","","","","","","4","C 1 2 1","C 2y","5","Salt of deoxycholic acid and melamine","","","- C27 H46 N6 O4 -","- C27 H46 N6 O4 -","- C108 H184 N24 O16 -","4","1","","Ikonen, Satu; Nonappa,; Kolehmainen, Erkki","Supramolecular architectures formed by co-crystallization of bile acids and melamine","CrystEngComm","2010","12","12","4304","","10.1039/c0ce00108b","","","0.71073","MoKα","","0.0554","0.0481","","","0.12","0.1246","","","","","","1.049","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212790","19.7152","0.0007","7.7592","0.0003","20.4722","0.0007","90","","115.078","0.002","90","","2836.5","0.18","123","2","123","2","","","","","","","","4","C 1 2 1","C 2y","5","Cholic acid-melamine co-crystal hemihydrate","","","- C27 H47 N6 O5.5 -","- C27 H47 N6 O5.5 -","- C108 H188 N24 O22 -","4","1","","Ikonen, Satu; Nonappa,; Kolehmainen, Erkki","Supramolecular architectures formed by co-crystallization of bile acids and melamine","CrystEngComm","2010","12","12","4304","","10.1039/c0ce00108b","","","0.71073","MoKα","","0.0858","0.0667","","","0.1514","0.1615","","","","","","1.099","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7212791","18.693","0.003","10.1161","0.0019","20.355","0.004","90","","97.326","0.003","90","","3817.7","1.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H42 N4 Ni O14 -","- C38 H42 N4 Ni O14 -","- C152 H168 N16 Ni4 O56 -","4","0.5","","Wang, Xiu-Jian; Huang, Ting-Hong; Tang, Lin-Hua; Cen, Zhong-Min; Ni, Qing-Ling; Gui, Liu-Cheng; Jiang, Xuan-Feng; Liu, Hong-Ke","Synthesis and structures of helical and meso-helical coordination polymers directed by the conformation restriction of flexible/angular pyridine-containing ligands","CrystEngComm","2010","12","12","4356","","10.1039/c0ce00110d","","","0.71073","MoKα","","0.0828","0.0556","","","0.1492","0.1681","","","","","","1.073","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212792","18.7369","0.0003","10.1621","0.0001","20.3373","0.0003","90","","97.079","0.001","90","","3842.83","0.09","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H42 Co N4 O14 -","- C38 H42 Co N4 O14 -","- C152 H168 Co4 N16 O56 -","4","0.5","","Wang, Xiu-Jian; Huang, Ting-Hong; Tang, Lin-Hua; Cen, Zhong-Min; Ni, Qing-Ling; Gui, Liu-Cheng; Jiang, Xuan-Feng; Liu, Hong-Ke","Synthesis and structures of helical and meso-helical coordination polymers directed by the conformation restriction of flexible/angular pyridine-containing ligands","CrystEngComm","2010","12","12","4356","","10.1039/c0ce00110d","","","0.71073","MoKα","","0.0777","0.0535","","","0.1565","0.1647","","","","","","1.003","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212793","20.4381","0.0007","9.8231","0.0003","16.4244","0.0005","90","","106.708","0.003","90","","3158.24","0.18","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H30 Co N4 O8 -","- C38 H30 Co N4 O8 -","- C152 H120 Co4 N16 O32 -","4","0.5","","Wang, Xiu-Jian; Huang, Ting-Hong; Tang, Lin-Hua; Cen, Zhong-Min; Ni, Qing-Ling; Gui, Liu-Cheng; Jiang, Xuan-Feng; Liu, Hong-Ke","Synthesis and structures of helical and meso-helical coordination polymers directed by the conformation restriction of flexible/angular pyridine-containing ligands","CrystEngComm","2010","12","12","4356","","10.1039/c0ce00110d","","","0.71073","MoKα","","0.065","0.0457","","","0.1154","0.1218","","","","","","0.996","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212794","25.323","0.004","4.8988","0.0008","33.3","0.004","90","","120","","90","","3577.5","0.9","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C54 H42 Cl6 Hg3 N6 O14 -","- C54 H42 Cl6 Hg3 N6 O14 -","- C108 H84 Cl12 Hg6 N12 O28 -","2","0.5","","Wang, Xiu-Jian; Huang, Ting-Hong; Tang, Lin-Hua; Cen, Zhong-Min; Ni, Qing-Ling; Gui, Liu-Cheng; Jiang, Xuan-Feng; Liu, Hong-Ke","Synthesis and structures of helical and meso-helical coordination polymers directed by the conformation restriction of flexible/angular pyridine-containing ligands","CrystEngComm","2010","12","12","4356","","10.1039/c0ce00110d","","","0.71073","MoKα","","0.1584","0.0992","","","0.2657","0.307","","","","","","1.015","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212795","7.5483","0.0002","36.1989","0.0011","22.798","0.0005","90","","90","","90","","6229.3","0.3","293","2","293","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C50 H42 Hg3 I6 N6 O11 -","- C50 H42 Hg3 I6 N6 O11 -","- C200 H168 Hg12 I24 N24 O44 -","4","0.5","","Wang, Xiu-Jian; Huang, Ting-Hong; Tang, Lin-Hua; Cen, Zhong-Min; Ni, Qing-Ling; Gui, Liu-Cheng; Jiang, Xuan-Feng; Liu, Hong-Ke","Synthesis and structures of helical and meso-helical coordination polymers directed by the conformation restriction of flexible/angular pyridine-containing ligands","CrystEngComm","2010","12","12","4356","","10.1039/c0ce00110d","","","0.71073","MoKα","","0.0748","0.0599","","","0.1353","0.1555","","","","","","1.102","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212796","28.905","0.0019","10.3312","0.0003","22.738","0.003","90","","118.362","0.011","90","","5975","1.1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H50 Cl6 N6 O14 Zn3 -","- C52 H50 Cl6 N6 O14 Zn3 -","- C208 H200 Cl24 N24 O56 Zn12 -","4","0.5","","Wang, Xiu-Jian; Huang, Ting-Hong; Tang, Lin-Hua; Cen, Zhong-Min; Ni, Qing-Ling; Gui, Liu-Cheng; Jiang, Xuan-Feng; Liu, Hong-Ke","Synthesis and structures of helical and meso-helical coordination polymers directed by the conformation restriction of flexible/angular pyridine-containing ligands","CrystEngComm","2010","12","12","4356","","10.1039/c0ce00110d","","","0.71073","MoKα","","0.069","0.0532","","","0.156","0.1637","","","","","","1.05","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212797","28.549","0.002","14.4101","0.0011","13.4766","0.001","90","","97.584","0.001","90","","5495.7","0.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H11 Dy N2 O8 -","- C15 H11 Dy N2 O8 -","- C120 H88 Dy8 N16 O64 -","8","1","","Feng, Xun; Wang, Li-Ya; Wang, Jian- Ge; Xie, Cheng-Zhi; Zhao, Jian-She; Sun, Qian","A unique example of a 3D framework based on the binuclear dysprosium(iii) azobenzene-3,5,4′-tricarboxylate with 3,6-connected topology showing ferromagnetic properties","CrystEngComm","2010","12","11","3476","","10.1039/c0ce00119h","","","0.71073","MoKα","","0.0528","0.048","","","0.1777","0.1885","","","","","","1.025","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212798","6.0915","0.0012","9.961","0.002","13.361","0.003","68.87","0.03","81.01","0.03","76.72","0.03","733.6","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H14 Eu N2 O12 -","- C7 H14 Eu N2 O12 -","- C14 H28 Eu2 N4 O24 -","2","1","","Ma, Deyun; Wang, Weixia; Li, Yingwei; Li, Jing; Daiguebonne, Carole; Calvez, Guillaume; Guillou, Olivier","In situ 2,5-pyrazinedicarboxylate and oxalate ligands synthesis leading to a microporous europium‒organic framework capable of selective sensing of small molecules","CrystEngComm","2010","12","12","4372","","10.1039/c0ce00135j","","","0.71073","MoKα","","0.0672","0.0508","","","0.1242","0.1338","","","","","","1.053","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212799","14.696","0.005","14.296","0.005","11.558","0.005","90","0.005","121.509","0.005","90","0.005","2070.2","1.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 Ag N9 O3 -","- C20 H18 Ag N9 O3 -","- C80 H72 Ag4 N36 O12 -","4","0.5","","Wang, Shuang; Zang, Hongying; Sun, Chunyi; Xu, Guangjuan; Wang, Xinlong; Shao, Kuizhan; Lan, Yaqian; Su, Zhongmin","Anion-directed genuine meso-helical supramolecular isomers of two 1D Ag(i) complexes based on arene-linked bis(pyrazolyl)methane ligands","CrystEngComm","2010","12","11","3458","","10.1039/c0ce00137f","","","0.71069","MoKα","","0.0418","0.0318","","","0.0713","0.075","","","","","","1.049","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212800","9.155","0.005","20.337","0.005","11.698","0.005","90","0.005","91.47","0.005","90","0.005","2177.3","1.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 Ag N9 O3 -","- C20 H18 Ag N9 O3 -","- C80 H72 Ag4 N36 O12 -","4","1","","Wang, Shuang; Zang, Hongying; Sun, Chunyi; Xu, Guangjuan; Wang, Xinlong; Shao, Kuizhan; Lan, Yaqian; Su, Zhongmin","Anion-directed genuine meso-helical supramolecular isomers of two 1D Ag(i) complexes based on arene-linked bis(pyrazolyl)methane ligands","CrystEngComm","2010","12","11","3458","","10.1039/c0ce00137f","","","0.71069","MoKα","","0.1516","0.0721","","","0.1757","0.2302","","","","","","0.971","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212801","5.2025","0.0002","9.7343","0.0008","26.324","0.002","90","","90","","90","","1333.12","0.16","208","2","208","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(S)-2-((2-methylbenzylidene)amino)-2-phenylacetamide","(S)-2-((2-methylbenzylidene)amino)-2-phenylacetamide","","- C16 H16 N2 O -","- C16 H16 N2 O -","- C64 H64 N8 O4 -","4","1","","Leeman, Michel; Noorduin, Wim L.; Millemaggi, Alessia; Vlieg, Elias; Meekes, Hugo; van Enckevort, Willem J. P.; Kaptein, Bernard; Kellogg, Richard M.","Efficient Havinga‒Kondepudi resolution of conglomerate amino acid derivatives by slow cooling and abrasive grinding","CrystEngComm","2010","12","7","2051","","10.1039/c0ce00140f","","","0.71073","MoKα","","0.0794","0.0478","","","0.0829","0.0922","","","","","","1.088","","","","has coordinates","213925","2020-10-21","18:00:00",""
"7212802","23.631","0.003","4.8043","0.0007","23.56","0.003","90","","116.741","0.002","90","","2388.7","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H18 Cu2 N6 -","- C28 H18 Cu2 N6 -","- C112 H72 Cu8 N24 -","4","0.5","","Hu, Sheng; Zhang, Ze-Ming; Meng, Zhao-Sha; Lin, Zhuo-Jia; Tong, Ming-Liang","Anion-dependent construction of copper(i/ii)-1,2,4,5-tetra(4-pyridyl)benzene frameworks","CrystEngComm","2010","12","12","4378","","10.1039/c0ce00141d","","","0.71073","MoKα","","0.0612","0.0536","","","0.1312","0.1358","","","","","","1.159","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212803","18.175","0.003","8.735","0.0015","30.413","0.005","90","","90","","90","","4828.3","1.4","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C26 H21 Cu N4 O5.5 S -","- C26 H18 Cu N4 O5.5 S -","- C208 H144 Cu8 N32 O44 S8 -","8","1","","Hu, Sheng; Zhang, Ze-Ming; Meng, Zhao-Sha; Lin, Zhuo-Jia; Tong, Ming-Liang","Anion-dependent construction of copper(i/ii)-1,2,4,5-tetra(4-pyridyl)benzene frameworks","CrystEngComm","2010","12","12","4378","","10.1039/c0ce00141d","","","0.71073","MoKα","","0.1122","0.064","","","0.1488","0.1731","","","","","","1.05","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212804","13.115","0.0019","22.273","0.003","10.6802","0.0015","90","","118.973","0.002","90","","2729.3","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H21 Br2 Cu2 N5 -","- C28 H18 Br2 Cu2 N5 -","- C112 H72 Br8 Cu8 N20 -","4","0.5","","Hu, Sheng; Zhang, Ze-Ming; Meng, Zhao-Sha; Lin, Zhuo-Jia; Tong, Ming-Liang","Anion-dependent construction of copper(i/ii)-1,2,4,5-tetra(4-pyridyl)benzene frameworks","CrystEngComm","2010","12","12","4378","","10.1039/c0ce00141d","","","0.71073","MoKα","","0.07","0.0547","","","0.1242","0.1309","","","","","","1.136","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212805","10.1652","0.0008","14.6342","0.0012","15.2829","0.0012","117.538","0.001","96.141","0.001","104.338","0.001","1887.1","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H40 Cu10 I10 N8 O2 -","- C52 H36 Cu10 I10 N8 O2 -","- C52 H36 Cu10 I10 N8 O2 -","1","0.5","","Hu, Sheng; Zhang, Ze-Ming; Meng, Zhao-Sha; Lin, Zhuo-Jia; Tong, Ming-Liang","Anion-dependent construction of copper(i/ii)-1,2,4,5-tetra(4-pyridyl)benzene frameworks","CrystEngComm","2010","12","12","4378","","10.1039/c0ce00141d","","","0.71073","MoKα","","0.0627","0.045","","","0.1025","0.1111","","","","","","1.036","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212806","22.508","0.004","11.5522","0.0018","12.3631","0.0019","90","","103.304","0.009","90","","3128.3","0.9","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 Cl6 Fe N6 S2 -","- C26 H18 Cl6 Fe N6 S2 -","- C104 H72 Cl24 Fe4 N24 S8 -","4","0.5","","Adams, Christopher J.; Real, José Antonio; Waddington, Rachel E.","The two-dimensional iron(ii)‒thiocyanate‒4,4′-bipyridine coordination network","CrystEngComm","2010","12","11","3547","","10.1039/c0ce00149j","","","0.71073","MoKα","","0.0484","0.0385","","","0.0959","0.1015","","","","","","1.043","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7212807","21.3329","0.0011","11.5783","0.0005","12.9964","0.0007","90","","99.347","0.003","90","","3167.5","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H32 Fe N6 S2 -","- C36 H32 Fe N6 S2 -","- C144 H128 Fe4 N24 S8 -","4","0.5","","Adams, Christopher J.; Real, José Antonio; Waddington, Rachel E.","The two-dimensional iron(ii)‒thiocyanate‒4,4′-bipyridine coordination network","CrystEngComm","2010","12","11","3547","","10.1039/c0ce00149j","","","0.71073","MoKα","","0.1053","0.0784","","","0.1861","0.2056","","","","","","1.044","","","","has coordinates,has disorder","180459","2020-10-21","18:00:00",""
"7212808","22.471","0.006","11.605","0.003","13.205","0.003","90","","103.083","0.015","90","","3354.2","1.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H26 Fe N8 O4 S2 -","- C34 H26 Fe N8 O4 S2 -","- C136 H104 Fe4 N32 O16 S8 -","4","0.5","","Adams, Christopher J.; Real, José Antonio; Waddington, Rachel E.","The two-dimensional iron(ii)‒thiocyanate‒4,4′-bipyridine coordination network","CrystEngComm","2010","12","11","3547","","10.1039/c0ce00149j","","","0.71073","MoKα","","0.0441","0.0325","","","0.072","0.0776","","","","","","1.046","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212809","11.5165","0.0011","11.4813","0.0011","13.1038","0.0011","90","","106.602","0.005","90","","1660.4","0.3","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C30 H36 Fe N6 O2 S2 -","- C30 H36 Fe N6 O2 S2 -","- C60 H72 Fe2 N12 O4 S4 -","2","0.5","","Adams, Christopher J.; Real, José Antonio; Waddington, Rachel E.","The two-dimensional iron(ii)‒thiocyanate‒4,4′-bipyridine coordination network","CrystEngComm","2010","12","11","3547","","10.1039/c0ce00149j","","","0.71073","MoKα","","0.0584","0.0396","","","0.0918","0.1001","","","","","","1.034","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212810","11.5535","0.0019","11.5357","0.0018","15.45","0.003","90","","114.365","0.012","90","","1875.7","0.6","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C34 H40 Fe N6 O4 S2 -","- C34 H40 Fe N6 O4 S2 -","- C68 H80 Fe2 N12 O8 S4 -","2","0.5","","Adams, Christopher J.; Real, José Antonio; Waddington, Rachel E.","The two-dimensional iron(ii)‒thiocyanate‒4,4′-bipyridine coordination network","CrystEngComm","2010","12","11","3547","","10.1039/c0ce00149j","","","0.71073","MoKα","","0.2478","0.1937","","","0.5167","0.5303","","","","","","1.88","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212811","16.049","0.002","16.613","0.003","12.5984","0.0018","90","","120.581","0.004","90","","2891.8","0.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 Fe N6 O3 S2 -","- C26 H16 Fe N6 O3 S2 -","- C104 H64 Fe4 N24 O12 S8 -","4","0.5","","Adams, Christopher J.; Real, José Antonio; Waddington, Rachel E.","The two-dimensional iron(ii)‒thiocyanate‒4,4′-bipyridine coordination network","CrystEngComm","2010","12","11","3547","","10.1039/c0ce00149j","","","0.71073","MoKα","","0.0574","0.0497","","","0.1446","0.1517","","","","","","1.061","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7212812","16.4191","0.0006","16.3755","0.0006","12.5505","0.0004","90","","120.21","0.002","90","","2916.17","0.19","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H26 Fe N8 O5 S2 -","- C25 H25 Fe N8 O5 S2 -","- C100 H100 Fe4 N32 O20 S8 -","4","0.5","","Adams, Christopher J.; Real, José Antonio; Waddington, Rachel E.","The two-dimensional iron(ii)‒thiocyanate‒4,4′-bipyridine coordination network","CrystEngComm","2010","12","11","3547","","10.1039/c0ce00149j","","","0.71073","MoKα","","0.0447","0.04","","","0.1127","0.1163","","","","","","1.038","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212813","11.5305","0.0005","11.5424","0.0005","12.7461","0.0006","90","","110.832","0.002","90","","1585.48","0.12","200","2","200","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C25 H16 Fe N6 S8 -","- C25 H16 Fe N6 S8 -","- C50 H32 Fe2 N12 S16 -","2","0.5","","Adams, Christopher J.; Real, José Antonio; Waddington, Rachel E.","The two-dimensional iron(ii)‒thiocyanate‒4,4′-bipyridine coordination network","CrystEngComm","2010","12","11","3547","","10.1039/c0ce00149j","","","0.71073","MoKα","","0.0576","0.0468","","","0.143","0.1495","","","","","","1.153","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212814","12.1205","0.0004","15.552","0.0005","17.3547","0.0006","85.886","0.003","71.153","0.003","78.266","0.003","3031.17","0.19","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H70 Cl Cu3 Li N6 O18 -","- C60 H70 Cl Cu3 Li N6 O18 -","- C120 H140 Cl2 Cu6 Li2 N12 O36 -","2","1","","Sasmal, Sujit; Majumder, Samit; Hazra, Susanta; Sparkes, Hazel A.; Howard, Judith A. K.; Nayak, Malabika; Mohanta, Sasankasekhar","Tetrametallic [2 ×1 + 1 ×2], octametallic double-decker‒triple-decker [5 ×1 + 3 ×1], hexametallic quadruple-decker and dimetallic-based one-dimensional complexes of copper(ii) and s block metal ions derived from N,N′-ethylenebis(3-ethoxysalicylaldimine)","CrystEngComm","2010","12","12","4131","","10.1039/c0ce00154f","","","0.71073","MoKα","","0.0829","0.041","","","0.0611","0.066","","","","","","0.807","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212815","12.0391","0.0003","16.6189","0.0003","16.6213","0.0003","86.908","0.002","69.87","0.002","82.251","0.002","3093.78","0.12","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H70 Cu3 N9 Na O14 -","- C62 H70 Cu3 N9 Na O14 -","- C124 H140 Cu6 N18 Na2 O28 -","2","1","","Sasmal, Sujit; Majumder, Samit; Hazra, Susanta; Sparkes, Hazel A.; Howard, Judith A. K.; Nayak, Malabika; Mohanta, Sasankasekhar","Tetrametallic [2 ×1 + 1 ×2], octametallic double-decker‒triple-decker [5 ×1 + 3 ×1], hexametallic quadruple-decker and dimetallic-based one-dimensional complexes of copper(ii) and s block metal ions derived from N,N′-ethylenebis(3-ethoxysalicylaldimine)","CrystEngComm","2010","12","12","4131","","10.1039/c0ce00154f","","","0.71073","MoKα","","0.08","0.0407","","","0.0728","0.0778","","","","","","0.853","","","","has coordinates,has disorder","180459","2020-10-21","18:00:00",""
"7212816","12.7379","0.0014","15.5892","0.0019","16.265","0.002","85.814","0.01","73.4","0.01","85.944","0.009","3082.7","0.7","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H70 Cu3 Mg N8 O22 -","- C60 H70 Cu3 Mg N8 O22 -","- C120 H140 Cu6 Mg2 N16 O44 -","2","1","","Sasmal, Sujit; Majumder, Samit; Hazra, Susanta; Sparkes, Hazel A.; Howard, Judith A. K.; Nayak, Malabika; Mohanta, Sasankasekhar","Tetrametallic [2 ×1 + 1 ×2], octametallic double-decker‒triple-decker [5 ×1 + 3 ×1], hexametallic quadruple-decker and dimetallic-based one-dimensional complexes of copper(ii) and s block metal ions derived from N,N′-ethylenebis(3-ethoxysalicylaldimine)","CrystEngComm","2010","12","12","4131","","10.1039/c0ce00154f","","","0.71073","MoKα","","0.0925","0.0536","","","0.1134","0.1198","","","","","","0.893","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212817","21.4852","0.0003","25.7356","0.0003","18.6849","0.0002","90","","91.902","0.001","90","","10325.8","0.2","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C100 H110 Cl3 Cu5 K3 N10 O32 -","- C100 H110 Cl3 Cu5 K3 N10 O32 -","- C400 H440 Cl12 Cu20 K12 N40 O128 -","4","0.5","","Sasmal, Sujit; Majumder, Samit; Hazra, Susanta; Sparkes, Hazel A.; Howard, Judith A. K.; Nayak, Malabika; Mohanta, Sasankasekhar","Tetrametallic [2 ×1 + 1 ×2], octametallic double-decker‒triple-decker [5 ×1 + 3 ×1], hexametallic quadruple-decker and dimetallic-based one-dimensional complexes of copper(ii) and s block metal ions derived from N,N′-ethylenebis(3-ethoxysalicylaldimine)","CrystEngComm","2010","12","12","4131","","10.1039/c0ce00154f","","","0.71073","MoKα","","0.0455","0.0332","","","0.0872","0.0895","","","","","","1.041","","","","has coordinates,has disorder","180459","2020-10-21","18:00:00",""
"7212818","7.1687","0.0002","13.7862","0.0004","23.3747","0.0006","90","","90","","90","","2310.1","0.11","120","2","120","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 Cu F6 K N2 O4 P -","- C20 H22 Cu F6 K N2 O4 P -","- C80 H88 Cu4 F24 K4 N8 O16 P4 -","4","1","","Sasmal, Sujit; Majumder, Samit; Hazra, Susanta; Sparkes, Hazel A.; Howard, Judith A. K.; Nayak, Malabika; Mohanta, Sasankasekhar","Tetrametallic [2 ×1 + 1 ×2], octametallic double-decker‒triple-decker [5 ×1 + 3 ×1], hexametallic quadruple-decker and dimetallic-based one-dimensional complexes of copper(ii) and s block metal ions derived from N,N′-ethylenebis(3-ethoxysalicylaldimine)","CrystEngComm","2010","12","12","4131","","10.1039/c0ce00154f","","","0.71073","MoKα","","0.0477","0.0337","","","0.0552","0.0569","","","","","","0.865","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212819","14.0693","0.0005","14.9039","0.0006","16.9493","0.0005","115.765","0.004","106.404","0.003","91.471","0.003","3024.8","0.2","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C134 H144 B2 Cu4 N8 O20 Rb2 -","- C134 H144 B2 Cu4 N8 O20 Rb2 -","- C134 H144 B2 Cu4 N8 O20 Rb2 -","1","0.5","","Sasmal, Sujit; Majumder, Samit; Hazra, Susanta; Sparkes, Hazel A.; Howard, Judith A. K.; Nayak, Malabika; Mohanta, Sasankasekhar","Tetrametallic [2 ×1 + 1 ×2], octametallic double-decker‒triple-decker [5 ×1 + 3 ×1], hexametallic quadruple-decker and dimetallic-based one-dimensional complexes of copper(ii) and s block metal ions derived from N,N′-ethylenebis(3-ethoxysalicylaldimine)","CrystEngComm","2010","12","12","4131","","10.1039/c0ce00154f","","","0.71073","MoKα","","0.0343","0.0237","","","0.0566","0.0577","","","","","","0.95","","","","has coordinates,has disorder","180459","2020-10-21","18:00:00",""
"7212820","7.5738","0.0007","7.7425","0.0007","9.4012","0.0008","109.086","0.002","95.635","0.002","99.598","0.002","506.74","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H24 Br I N4 -","- C20 H24 Br I N4 -","- C20 H24 Br I N4 -","1","0.5","","Roper, Laila C.; Präsang, Carsten; Whitwood, Adrian C.; Bruce, Duncan W.","A halogen-bonded complex of DMAP with 4-bromoiodobenzene","CrystEngComm","2010","12","11","3382","","10.1039/c0ce00160k","","","0.71073","MoKα","","0.0259","0.0245","","","0.0624","0.0631","","","","","","1.041","","","","has coordinates,has disorder","180459","2020-10-21","18:00:00",""
"7212821","15.303","0.002","16.583","0.002","23.124","0.003","90","","104.234","0.008","90","","5688","1.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H88 N8 O25 S3 -","- C37 H84.8 N8 O25 S3 -","- C148 H339.2 N32 O100 S12 -","4","1","","Hossain, Md Alamgir; Saeed, Musabbir A.; Gryn'ova, Ganna; Powell, Douglas R.; Leszczynski, Jerzy","Unusual complexes of trapped methanol with azacryptands.","CrystEngComm / RSC","2010","2010","12","4042","4044","10.1039/C0CE00162G","","","1.54178","CuKα","","0.1026","0.0829","","","0.2064","0.224","","","","","","1.102","","","","has coordinates,has disorder","180459","2020-10-21","18:00:00",""
"7212822","11.8698","0.0014","14.1475","0.0018","16.133","0.002","97.812","0.007","96.193","0.007","101.013","0.008","2609.5","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H73 N8 O25 S7.5 -","- C31 H69 N8 O25 S7.5 -","- C62 H138 N16 O50 S15 -","2","1","","Hossain, Md Alamgir; Saeed, Musabbir A.; Gryn'ova, Ganna; Powell, Douglas R.; Leszczynski, Jerzy","Unusual complexes of trapped methanol with azacryptands.","CrystEngComm / RSC","2010","2010","12","4042","4044","10.1039/C0CE00162G","","","1.54178","CuKα","","0.0888","0.0563","","","0.139","0.1589","","","","","","1.004","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7212823","15.8233","0.0011","9.5733","0.0007","38.988","0.003","90","","96.762","0.002","90","","5864.9","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H21 Cu3 N6 S4.5 -","- C27 H21 Cu3 N6 S4.5 -","- C216 H168 Cu24 N48 S36 -","8","1","","Peng, Rong; Li, Mian; Deng, Shi-Ren; Li, Zao-Ying; Li, Dan","Two genuine supramolecular isomers exhibiting hierarchical resemblance and distinction","CrystEngComm","2010","12","11","3670","","10.1039/c0ce00163e","","","0.71073","MoKα","","0.1022","0.0602","","","0.1296","0.1514","","","","","","1.028","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212824","13.8291","0.001","12.241","0.0009","24.3326","0.0018","90","","104.604","0.002","90","","3986","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H14 Cu2 N4 S3 -","- C18 H14 Cu2 N4 S3 -","- C144 H112 Cu16 N32 S24 -","8","1","","Peng, Rong; Li, Mian; Deng, Shi-Ren; Li, Zao-Ying; Li, Dan","Two genuine supramolecular isomers exhibiting hierarchical resemblance and distinction","CrystEngComm","2010","12","11","3670","","10.1039/c0ce00163e","","","0.71073","MoKα","","0.07","0.0448","","","0.0969","0.1079","","","","","","1.011","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212825","16.824","0.003","13.646","0.002","15.09","0.002","90","","111.192","0.003","90","","3230.1","0.9","295","2","295","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C27 H20 Cu5 N9 S4 -","- C27 H20 Cu5 N9 S4 -","- C108 H80 Cu20 N36 S16 -","4","1","","Hou, Lei; Shi, Wen-Juan; Wang, Yao-Yu; Liu, Bo; Huang, Wen-Huan; Shi, Qi-Zhen","Two new coordination polymers with multiform helical features based on flexible dithioether ligands and CuCN: from self-penetrating to 3-fold interpenetrating structures","CrystEngComm","2010","12","12","4365","","10.1039/c0ce00167h","","","0.71073","MoKα","","0.0597","0.051","","","0.0969","0.1016","","","","","","1.061","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212826","14.474","0.003","6.949","0.0012","17.45","0.003","90","","96.255","0.004","90","","1744.7","0.6","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H12 Cu3 N5 S2 -","- C15 H12 Cu3 N5 S2 -","- C60 H48 Cu12 N20 S8 -","4","0.5","","Hou, Lei; Shi, Wen-Juan; Wang, Yao-Yu; Liu, Bo; Huang, Wen-Huan; Shi, Qi-Zhen","Two new coordination polymers with multiform helical features based on flexible dithioether ligands and CuCN: from self-penetrating to 3-fold interpenetrating structures","CrystEngComm","2010","12","12","4365","","10.1039/c0ce00167h","","","0.71073","MoKα","","0.0492","0.0402","","","0.0954","0.0999","","","","","","1.077","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212827","20.786","0.0002","20.786","0.0002","32.3848","0.0007","90","","90","","90","","13992.1","0.4","120","2","120","2","","","","","","","Jose Giner Planas","4","I 41/a c d :2","-I 4bd 2c","142","","","","- C13 H20 B10 O2 -","- C13 H20 B10 O2 -","- C416 H640 B320 O64 -","32","1","","Terrasson, Vincent; García, Yolanda; Farràs, Pau; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Prim, Damien; Light, Mark E.; Hursthouse, Michael B.","Crystal engineering of o-carboranyl alcohols: syntheses, crystal structures and thermal properties","CrystEngComm","2010","12","12","4109","","10.1039/c0ce00169d","","","0.71073","MoKα","","0.1503","0.1101","","","0.3113","0.3408","","","","","","1.277","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212828","19.1234","0.0008","9.0888","0.0004","23.1603","0.0007","90","","95.767","0.002","90","","4005.1","0.3","120","2","120","2","","","","","","","Jose Giner Planas","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 B10 O -","- C18 H24 B10 O -","- C144 H192 B80 O8 -","8","2","","Terrasson, Vincent; García, Yolanda; Farràs, Pau; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Prim, Damien; Light, Mark E.; Hursthouse, Michael B.","Crystal engineering of o-carboranyl alcohols: syntheses, crystal structures and thermal properties","CrystEngComm","2010","12","12","4109","","10.1039/c0ce00169d","","","0.71073","MoKα","","0.1555","0.0868","","","0.1971","0.2359","","","","","","1.028","","","","has coordinates,has disorder","180459","2020-10-21","18:00:00",""
"7212829","19.0233","0.0005","8.3839","0.0002","22.8968","0.0007","90","","96.012","0.002","90","","3631.71","0.17","120","2","120","2","","","","","","","Jose Giner Planas","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H22 B10 O -","- C15 H22 B10 O -","- C120 H176 B80 O8 -","8","1","","Terrasson, Vincent; García, Yolanda; Farràs, Pau; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Prim, Damien; Light, Mark E.; Hursthouse, Michael B.","Crystal engineering of o-carboranyl alcohols: syntheses, crystal structures and thermal properties","CrystEngComm","2010","12","12","4109","","10.1039/c0ce00169d","","","0.71073","MoKα","","0.0904","0.0614","","","0.1672","0.1883","","","","","","1.021","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212830","13.8781","0.0006","14.4748","0.0004","14.8852","0.0007","90","","90","","90","","2990.2","0.2","120","2","120","2","","","","","","","Pepe","5","P b c a","-P 2ac 2ab","61","","","","- C9 H19 B10 N O -","- C9 H19 B10 N O -","- C72 H152 B80 N8 O8 -","8","1","","Terrasson, Vincent; García, Yolanda; Farràs, Pau; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Prim, Damien; Light, Mark E.; Hursthouse, Michael B.","Crystal engineering of o-carboranyl alcohols: syntheses, crystal structures and thermal properties","CrystEngComm","2010","12","12","4109","","10.1039/c0ce00169d","","","0.71073","MoKα","","0.0676","0.0526","","","0.134","0.1431","","","","","","1.032","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212831","17.6653","0.0003","17.6653","0.0003","12.7609","0.0003","90","","90","","90","","3982.2","0.13","120","2","120","2","","","","","","","Pepe","4","I -4","I -4","82","","","","- C17 H24 B10 O -","- C17 H24 B10 O -","- C136 H192 B80 O8 -","8","1","","Terrasson, Vincent; García, Yolanda; Farràs, Pau; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Prim, Damien; Light, Mark E.; Hursthouse, Michael B.","Crystal engineering of o-carboranyl alcohols: syntheses, crystal structures and thermal properties","CrystEngComm","2010","12","12","4109","","10.1039/c0ce00169d","","","0.71073","MoKα","","0.0567","0.0485","","","0.1143","0.1195","","","","","","1.103","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212832","19.5952","0.0016","19.5952","0.0016","5.2472","0.0004","90","","90","","90","","2014.8","0.3","293","2","293","2","","","","","","","","6","P 42","P 4c","77","","","","- C48 H36 Cl2 N4 O2 Zn -","- C48 H36 Cl2 N4 O2 Zn -","- C96 H72 Cl4 N8 O4 Zn2 -","2","0.5","","Bacchi, Alessia; Carcelli, Mauro; Chiodo, Tiziana; Pelagatti, Paolo","Diamondoid and square-grid networks based on bent wheel-and-axle diols","CrystEngComm","2010","12","12","4226","","10.1039/c0ce00173b","","","0.71073","MoKα","","0.0677","0.0399","","","0.0831","0.0904","","","","","","0.898","","","","has coordinates,has disorder","180459","2020-10-21","18:00:00",""
"7212833","19.589","0.007","19.589","0.007","5.149","0.002","90","","90","","90","","1975.8","1.3","293","2","293","2","","","","","","","","6","P 42","P 4c","77","","","","- C48 H36 Br2 N4 O2 Zn -","- C48 H36 Br2 N4 O2 Zn -","- C96 H72 Br4 N8 O4 Zn2 -","2","0.5","","Bacchi, Alessia; Carcelli, Mauro; Chiodo, Tiziana; Pelagatti, Paolo","Diamondoid and square-grid networks based on bent wheel-and-axle diols","CrystEngComm","2010","12","12","4226","","10.1039/c0ce00173b","","","0.71073","MoKα","","0.0741","0.0464","","","0.0996","0.1076","","","","","","0.924","","","","has coordinates,has disorder","180459","2020-10-21","18:00:00",""
"7212834","18.9037","0.0001","18.9037","0.0001","11.8392","0.0006","90","","90","","90","","4230.7","0.2","293","2","293","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C48 H36 I2 N4 O2 Zn -","- C48 H36 I2 N4 O2 Zn -","- C192 H144 I8 N16 O8 Zn4 -","4","0.5","","Bacchi, Alessia; Carcelli, Mauro; Chiodo, Tiziana; Pelagatti, Paolo","Diamondoid and square-grid networks based on bent wheel-and-axle diols","CrystEngComm","2010","12","12","4226","","10.1039/c0ce00173b","","","0.71073","MoKα","","0.053","0.0326","","","0.0617","0.0684","","","","","","1.042","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212835","9.817","0.0005","9.9754","0.0005","38.6879","0.0017","90","","90","","90","","3788.6","0.3","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H18 N8 -","- C22 H18 N8 -","- C176 H144 N64 -","8","1","","Najar, Adel M.; Tidmarsh, Ian S.; Ward, Michael D.","Lead(ii) complexes of bis- and tris-bidentate compartmental ligands based on pyridyl-pyrazole and pyridyl-triazole fragments: coordination networks and a discrete dimeric box","CrystEngComm","2010","12","11","3642","","10.1039/c0ce00176g","","","0.71073","MoKα","","0.0558","0.0407","","","0.0934","0.1008","","","","","","1.056","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212836","9.11","0.005","10.485","0.005","14.4","0.008","74.055","0.007","81.433","0.007","86.057","0.005","1307.2","1.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H24 N12 -","- C30 H24 N12 -","- C60 H48 N24 -","2","1","","Najar, Adel M.; Tidmarsh, Ian S.; Ward, Michael D.","Lead(ii) complexes of bis- and tris-bidentate compartmental ligands based on pyridyl-pyrazole and pyridyl-triazole fragments: coordination networks and a discrete dimeric box","CrystEngComm","2010","12","11","3642","","10.1039/c0ce00176g","","","0.71073","MoKα","","0.1127","0.0529","","","0.1121","0.1364","","","","","","1","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212837","12.6145","0.0005","14.4977","0.0006","28.1911","0.0011","78.018","0.002","81.577","0.002","79.422","0.002","4926","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C78 H81 Cl4 N27 O20 Pb2 -","- C78 H81 Cl4 N27 O20 Pb2 -","- C156 H162 Cl8 N54 O40 Pb4 -","2","1","","Najar, Adel M.; Tidmarsh, Ian S.; Ward, Michael D.","Lead(ii) complexes of bis- and tris-bidentate compartmental ligands based on pyridyl-pyrazole and pyridyl-triazole fragments: coordination networks and a discrete dimeric box","CrystEngComm","2010","12","11","3642","","10.1039/c0ce00176g","","","0.71073","MoKα","","0.077","0.0485","","","0.1132","0.121","","","","","","1.023","","","","has coordinates,has disorder","180459","2020-10-21","18:00:00",""
"7212838","14.2078","0.0005","15.0213","0.0006","15.6798","0.0006","117.794","0.002","90.479","0.002","116.858","0.002","2537.23","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H36 Cl2 N16 O8 Pb -","- C44 H36 Cl2 N16 O8 Pb -","- C88 H72 Cl4 N32 O16 Pb2 -","2","1","","Najar, Adel M.; Tidmarsh, Ian S.; Ward, Michael D.","Lead(ii) complexes of bis- and tris-bidentate compartmental ligands based on pyridyl-pyrazole and pyridyl-triazole fragments: coordination networks and a discrete dimeric box","CrystEngComm","2010","12","11","3642","","10.1039/c0ce00176g","","","0.71073","MoKα","","0.1093","0.0976","","","0.2187","0.2245","","","","","","1.167","","","","has coordinates,has disorder","180459","2020-10-21","18:00:00",""
"7212839","12.4736","0.0005","22.5686","0.0011","15.6899","0.0006","90","","103.555","0.003","90","","4293.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H36 Cl2 N13 O9.5 Pb -","- C35 H36 Cl2 N13 O9.5 Pb -","- C140 H144 Cl8 N52 O38 Pb4 -","4","1","","Najar, Adel M.; Tidmarsh, Ian S.; Ward, Michael D.","Lead(ii) complexes of bis- and tris-bidentate compartmental ligands based on pyridyl-pyrazole and pyridyl-triazole fragments: coordination networks and a discrete dimeric box","CrystEngComm","2010","12","11","3642","","10.1039/c0ce00176g","","","0.71073","MoKα","","0.1169","0.061","","","0.1567","0.1861","","","","","","1.013","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7212840","17.4206","0.0004","22.1469","0.0005","24.5102","0.0007","90","","90","","90","","9456.3","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H37 Cl2 N13 O9 Pb -","- C36 H37 Cl2 N13 O9 Pb -","- C288 H296 Cl16 N104 O72 Pb8 -","8","1","","Najar, Adel M.; Tidmarsh, Ian S.; Ward, Michael D.","Lead(ii) complexes of bis- and tris-bidentate compartmental ligands based on pyridyl-pyrazole and pyridyl-triazole fragments: coordination networks and a discrete dimeric box","CrystEngComm","2010","12","11","3642","","10.1039/c0ce00176g","","","0.71073","MoKα","","0.0936","0.0623","","","0.1709","0.1832","","","","","","1.123","","","","has coordinates,has disorder","180459","2020-10-21","18:00:00",""
"7212841","19.6201","0.0007","19.7818","0.0007","21.6058","0.0008","90","","92.69","0.003","90","","8376.4","0.5","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H33 Cl2 N10 O8 Pb -","- C38 H33 Cl2 N10 O8 Pb -","- C304 H264 Cl16 N80 O64 Pb8 -","8","1","","Najar, Adel M.; Tidmarsh, Ian S.; Ward, Michael D.","Lead(ii) complexes of bis- and tris-bidentate compartmental ligands based on pyridyl-pyrazole and pyridyl-triazole fragments: coordination networks and a discrete dimeric box","CrystEngComm","2010","12","11","3642","","10.1039/c0ce00176g","","","0.71073","MoKα","","0.0998","0.0621","","","0.1646","0.1905","","","","","","1.052","","","","has coordinates,has disorder","180459","2020-10-21","18:00:00",""
"7212842","11.6268","0.0006","12.1895","0.0006","13.5805","0.0007","102.909","0.003","102.681","0.003","102.962","0.002","1753.04","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H47 Cl4 N17 O22 Pb2 -","- C49 H47 Cl4 N17 O22 Pb2 -","- C49 H47 Cl4 N17 O22 Pb2 -","1","0.5","","Najar, Adel M.; Tidmarsh, Ian S.; Ward, Michael D.","Lead(ii) complexes of bis- and tris-bidentate compartmental ligands based on pyridyl-pyrazole and pyridyl-triazole fragments: coordination networks and a discrete dimeric box","CrystEngComm","2010","12","11","3642","","10.1039/c0ce00176g","","","0.71073","MoKα","","0.0946","0.0584","","","0.1423","0.161","","","","","","1.019","","","","has coordinates,has disorder","180459","2020-10-21","18:00:00",""
"7212843","40.561","0.004","40.561","0.004","7.4674","0.0007","90","","90","","90","","12285","2","296","2","296","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C22 H30 Cd2 Cl2 N4 O5 -","- C22 H30 Cd2 Cl2 N4 O5 -","- C352 H480 Cd32 Cl32 N64 O80 -","16","1","","Fang, Hua-Cai; Ge, Ying-Ying; Ying, Yin; Zheng, Sheng-Run; Zhan, Qing-Guang; Zhou, Zheng-Yuan; Chen, Li; Cai, Yue-Peng","Syntheses and conversions of dinuclear cadmium(ii) compounds containing N2O/N2O2 donor tridentate/tetradentate asymmetrical Schiff base ligands","CrystEngComm","2010","12","12","4012","","10.1039/c0ce00177e","","","0.71073","MoKα","","0.0575","0.0462","","","0.1245","0.1336","","","","","","0.99","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212844","40.561","0.004","40.561","0.004","7.4674","0.0007","90","","90","","90","","12285","2","296","2","296","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C22 H30 Cd2 Cl2 N4 O5 -","- C22 H30 Cd2 Cl2 N4 O5 -","- C352 H480 Cd32 Cl32 N64 O80 -","16","1","","Fang, Hua-Cai; Ge, Ying-Ying; Ying, Yin; Zheng, Sheng-Run; Zhan, Qing-Guang; Zhou, Zheng-Yuan; Chen, Li; Cai, Yue-Peng","Syntheses and conversions of dinuclear cadmium(ii) compounds containing N2O/N2O2 donor tridentate/tetradentate asymmetrical Schiff base ligands","CrystEngComm","2010","12","12","4012","","10.1039/c0ce00177e","","","0.71073","MoKα","","0.0572","0.046","","","0.1236","0.1327","","","","","","0.984","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212845","9.85","0.002","11.607","0.002","14.313","0.003","90.89","0.03","104.7","0.03","93.75","0.03","1578.6","0.6","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H86 Cu4 Mo2 N30 O12 -","- C36 H86 Cu4 Mo2 N30 O12 -","- C36 H86 Cu4 Mo2 N30 O12 -","1","0.5","","Zhang, Wen; Sun, Hao-Ling; Sato, Osamu","A one-dimensional homochiral Mo(iv)-Cu(ii) coordination polymer: spontaneous resolution and photoresponsive properties","CrystEngComm","2010","12","12","4045","","10.1039/c0ce00178c","","","0.71073","MoKα","","0.0385","0.0307","","","0.0771","0.0807","","","","","","1.092","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212846","10.206","0.002","14.185","0.003","10.777","0.002","90","","93.69","0.03","90","","1557","0.5","123","2","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H43 Cu2 Mo N15 O4 -","- C20 H43 Cu2 Mo N15 O4 -","- C40 H86 Cu4 Mo2 N30 O8 -","2","1","","Zhang, Wen; Sun, Hao-Ling; Sato, Osamu","A one-dimensional homochiral Mo(iv)-Cu(ii) coordination polymer: spontaneous resolution and photoresponsive properties","CrystEngComm","2010","12","12","4045","","10.1039/c0ce00178c","","","0.71073","MoKα","","0.0231","0.0218","","","0.0484","0.0486","","","","","","1","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212847","25.025","0.0015","5.5727","0.0003","14.7787","0.0009","90","","90","","90","","2061","0.2","173","2","173","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C20 H24 Ag N O5 S2 -","- C20 H24 Ag N O5 S2 -","- C80 H96 Ag4 N4 O20 S8 -","4","1","","Lee, So Young; Lee, Shim Sung","Anion-directed supramolecular silver(i) complexes of an O2S2-macrocycle: cyclic oligomer and 2-D coordination polymers","CrystEngComm","2010","12","11","3471","","10.1039/c0ce00182a","","","0.71073","MoKα","","0.0543","0.0441","","","0.1009","0.1075","","","","","","1.035","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212848","12.851","0.002","13.297","0.002","14.903","0.002","112.1","0.007","107.57","0.006","91.354","0.007","2222.1","0.6","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C82 H102 Ag4 B4 F16 O10 S8 -","- C82 H102 Ag4 B4 F16 O10 S8 -","- C82 H102 Ag4 B4 F16 O10 S8 -","1","0.5","","Lee, So Young; Lee, Shim Sung","Anion-directed supramolecular silver(i) complexes of an O2S2-macrocycle: cyclic oligomer and 2-D coordination polymers","CrystEngComm","2010","12","11","3471","","10.1039/c0ce00182a","","","0.71073","MoKα","","0.0565","0.0506","","","0.1178","0.1243","","","","","","1.039","","","","has coordinates,has disorder","180459","2020-10-21","18:00:00",""
"7212849","10.7047","0.0007","17.0508","0.0011","13.62","0.0009","90","","105.185","0.002","90","","2399.2","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 Ag F3 O5 S3 -","- C21 H24 Ag F3 O5 S3 -","- C84 H96 Ag4 F12 O20 S12 -","4","1","","Lee, So Young; Lee, Shim Sung","Anion-directed supramolecular silver(i) complexes of an O2S2-macrocycle: cyclic oligomer and 2-D coordination polymers","CrystEngComm","2010","12","11","3471","","10.1039/c0ce00182a","","","0.71073","MoKα","","0.0737","0.0424","","","0.0805","0.1348","","","","","","1.199","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212850","14.918","0.003","15.796","0.003","18.97","0.004","90","","96.16","0.03","90","","4444.4","1.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H48 Ag2 F6 O8 S4 -","- C44 H48 Ag2 F6 O8 S4 -","- C176 H192 Ag8 F24 O32 S16 -","4","1","","Lee, So Young; Lee, Shim Sung","Anion-directed supramolecular silver(i) complexes of an O2S2-macrocycle: cyclic oligomer and 2-D coordination polymers","CrystEngComm","2010","12","11","3471","","10.1039/c0ce00182a","","","0.77","synchrotron","","0.0671","0.0592","","","0.1732","0.1819","","","","","","1.097","","","","has coordinates,has disorder","180459","2020-10-21","18:00:00",""
"7212851","10.901","0.001","11.972","0.001","13.205","0.001","77.164","0.004","76.256","0.003","74.665","0.004","1590.9","0.2","298","2","298","2","","","","","","","","7","P -1","-P 1","2","gold phosphonium","","","- C32 H22 Au N2 O4 P S4 -","- C32 H22 Au N2 O4 P S4 -","- C64 H44 Au2 N4 O8 P2 S8 -","2","1","","Ranganathan, Anupama; El-Ghayoury, Abdelkrim; Zorina, Leokadiya; Batail, Patrick","The layered topology of a five components melaminium-melamine hybrid salt of a functional gold(iii) dithiolene complex","CrystEngComm","2010","12","12","4268","","10.1039/c0ce00188k","","","0.71073","MoKα","","0.0635","0.0402","","","0.0576","0.0614","","","","","","1.083","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212852","8.013","0.001","13.059","0.001","17.0873","0.0016","101.236","0.008","96.662","0.007","100.106","0.006","1705.5","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","gold(iii) bis(4,5-diamido-2-oxo-1,3-dithiolate) melaminium","","","- C20 H33 Au N16 O8 S4 -","- C20 H33 Au N16 O8 S4 -","- C40 H66 Au2 N32 O16 S8 -","2","1","","Ranganathan, Anupama; El-Ghayoury, Abdelkrim; Zorina, Leokadiya; Batail, Patrick","The layered topology of a five components melaminium-melamine hybrid salt of a functional gold(iii) dithiolene complex","CrystEngComm","2010","12","12","4268","","10.1039/c0ce00188k","","","0.71073","MoKα","","0.0591","0.032","","","0.05","0.0553","","","","","","1.072","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212853","35.61","0.005","17.813","0.002","32.235","0.004","90","","112.749","0.009","90","","18857","4","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C158 H190 Ba3 N10 O87 S14 -","- C158 H126 Ba3 N10 O87 S14 -","- C632 H504 Ba12 N40 O348 S56 -","4","0.5","","Erra, Loredana; Tedesco, Consiglia; Vaughan, Gavin; Brunelli, Michela; Troisi, Francesco; Gaeta, Carmine; Neri, Placido","A solid-state molecular capsule based on p-sulfonatocalix[7]arene and dicationic Diquat guest","CrystEngComm","2010","12","11","3463","","10.1039/c0ce00198h","","","0.17723","","","0.1464","0.1416","","","0.3413","0.3442","","","","","","1.192","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212854","8.1103","0.0006","8.7455","0.0008","13.0119","0.001","90","","90","","90","","922.92","0.13","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H4 N8 Zn -","- C8 H4 N8 Zn -","- C32 H16 N32 Zn4 -","4","1","","Liu, Wen-Ting; Ou, Yong-Cong; Lin, Zhuo-jia; Tong, Ming-Liang","Spontaneous resolution of four-coordinate Zn(ii) complexes in the formation of three-dimensional metal‒organic frameworks","CrystEngComm","2010","12","11","3487","","10.1039/c0ce00206b","","","0.71073","MoKα","","0.0215","0.0194","","","0.0419","0.0425","","","","","","1.033","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212855","8.1094","0.0003","8.7499","0.0004","13.0128","0.0005","90","","90","","90","","923.34","0.06","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H4 N8 Zn -","- C8 H4 N8 Zn -","- C32 H16 N32 Zn4 -","4","1","","Liu, Wen-Ting; Ou, Yong-Cong; Lin, Zhuo-jia; Tong, Ming-Liang","Spontaneous resolution of four-coordinate Zn(ii) complexes in the formation of three-dimensional metal‒organic frameworks","CrystEngComm","2010","12","11","3487","","10.1039/c0ce00206b","","","0.71073","MoKα","","0.0217","0.0195","","","0.0435","0.0509","","","","","","1.092","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212856","10.913","0.002","33.876","0.007","7.904","0.0016","90","","104.72","0.03","90","","2826.1","1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 Cu3 Gd N7 O8 -","- C23 H22 Cu3 Gd N7 O8 -","- C92 H88 Cu12 Gd4 N28 O32 -","4","1","","Yan, Peng-Fei; Wang, Ying; Chen, Peng; Zhang, Ju-Wen; Wang, Yan; Li, Guang-Ming","A two dimensional heterospin layer coordination polymer of {[LCuIIGdIII(NO3)CuI2(CN)4]·MeOH}n with short CuI⋯CuI bonds","CrystEngComm","2010","12","12","4084","","10.1039/c0ce00207k","","","0.71073","MoKα","","0.1267","0.069","","","0.1505","0.1746","","","","","","1.033","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212857","10.35","0.002","11.989","0.002","21.671","0.004","86.9","0.03","78.51","0.03","69.14","0.03","2462","1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","[Mn(biphen)2(3-pic)2][Na(EtOH)3(biphenH2)]","","","- C54 H58 Mn N2 Na O9 -","- C54 H58 Mn N2 Na O9 -","- C108 H116 Mn2 N4 Na2 O18 -","2","1","","Berg, Nelly; Jones, Leigh F.","Alternating bimetallic Na/Mn covalent and ionic chains","CrystEngComm","2010","12","11","3518","","10.1039/c0ce00218f","","","0.7107","MoKα","","0.0941","0.061","","","0.1454","0.1634","","","","","","1.065","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212858","11.814","0.002","12.513","0.003","22.786","0.005","96.06","0.03","98.11","0.03","115.49","0.03","2957.6","1.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","(Na2Mn2(biphen)4(py)3(EtOH)2)n","","","- C67 H59 Mn2 N3 Na2 O10 -","- C67 H57 Mn2 N3 Na2 O10 -","- C134 H114 Mn4 N6 Na4 O20 -","2","1","","Berg, Nelly; Jones, Leigh F.","Alternating bimetallic Na/Mn covalent and ionic chains","CrystEngComm","2010","12","11","3518","","10.1039/c0ce00218f","","","0.7107","MoKα","","0.1225","0.0599","","","0.1218","0.1411","","","","","","0.966","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212859","11.293","0.002","15.606","0.003","17.596","0.004","84.81","0.03","77.73","0.03","81.07","0.03","2988.2","1.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","(Na2Mn2(biphen)4(EtOH)3(3-cnp)2)n","","","- C132 H116 Mn4 N8 Na4 O22 -","- C132 H116 Mn4 N8 Na4 O22 -","- C132 H116 Mn4 N8 Na4 O22 -","1","0.5","","Berg, Nelly; Jones, Leigh F.","Alternating bimetallic Na/Mn covalent and ionic chains","CrystEngComm","2010","12","11","3518","","10.1039/c0ce00218f","","","0.7107","MoKα","","0.158","0.0814","","","0.1366","0.1698","","","","","","1.036","","","","has coordinates","183806","2020-10-21","18:00:00",""
"7212860","10.377","0.002","21.331","0.004","23.121","0.005","90","","99.53","0.03","90","","5047.2","1.8","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(Na(biphenH2)(EtOH)2(H2O))(Mn(biphen)2(4-cnp)2)","","","- C52 H46 Mn N4 Na O9 -","- C52 H46 Mn N4 Na O9 -","- C208 H184 Mn4 N16 Na4 O36 -","4","1","","Berg, Nelly; Jones, Leigh F.","Alternating bimetallic Na/Mn covalent and ionic chains","CrystEngComm","2010","12","11","3518","","10.1039/c0ce00218f","","","0.7107","MoKα","","0.1069","0.0725","","","0.2473","0.2652","","","","","","1.059","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212861","7.6596","0.0002","19.7497","0.0007","9.4708","0.0003","90","","109.067","0.002","90","","1354.09","0.08","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Cl4 Co0.14 N2 Zn0.86 -","- C10 H10 Cl4 Co0.14 N2 Zn0.86 -","- C40 H40 Cl16 Co0.56 N8 Zn3.44 -","4","1","","Adams, Christopher J.; Gillon, Amy L.; Lusi, Matteo; Orpen, A. Guy","Towards polymorphism control in coordination networks and metallo-organic salts","CrystEngComm","2010","12","12","4403","","10.1039/c0ce00230e","","","0.71073","MoKα","","0.0915","0.0629","","","0.1203","0.1352","","","","","","1.098","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212862","7.6491","0.0006","19.7209","0.0016","9.4569","0.0008","90","","109.049","0.002","90","","1348.43","0.19","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Cl4 Co0.05 N2 Zn0.95 -","- C10 H10 Cl4 Co0.047 N2 Zn0.953 -","- C40 H40 Cl16 Co0.188 N8 Zn3.812 -","4","1","","Adams, Christopher J.; Gillon, Amy L.; Lusi, Matteo; Orpen, A. Guy","Towards polymorphism control in coordination networks and metallo-organic salts","CrystEngComm","2010","12","12","4403","","10.1039/c0ce00230e","","","0.6893","synchrotron","","0.0228","0.0221","","","0.0575","0.058","","","","","","1.052","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7212863","7.6596","0.0001","19.7388","0.0004","9.4616","0.0002","90","","109.062","0.001","90","","1352.07","0.04","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Cl4 Co0.07 N2 Zn0.93 -","- C10 H10 Cl4 Co0.072 N2 Zn0.928 -","- C40 H40 Cl16 Co0.288 N8 Zn3.712 -","4","1","","Adams, Christopher J.; Gillon, Amy L.; Lusi, Matteo; Orpen, A. Guy","Towards polymorphism control in coordination networks and metallo-organic salts","CrystEngComm","2010","12","12","4403","","10.1039/c0ce00230e","","","0.71073","MoKα","","0.0253","0.0216","","","0.0489","0.0503","","","","","","1.08","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7212864","9.0766","0.0007","11.6167","0.0009","12.4603","0.001","90","","103.471","0.002","90","","1277.67","0.17","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H4 F2 N2 O -","- C7 H4 F2 N2 O -","- C56 H32 F16 N16 O8 -","8","1","","Pérez-Torralba, Marta; López, Concepción; Pérez-Medina, Carlos; Claramunt, Rosa M.; Pinilla, Elena; Torres, M. Rosario; Alkorta, Ibon; Elguero, José","Fast degenerate double proton transfer in the solid state between two indazolinone tautomers","CrystEngComm","2010","12","12","4052","","10.1039/c0ce00249f","","","0.71073","MoKα","","0.0438","0.0315","","","0.0763","0.0825","","","","","","1.071","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212865","6.9363","0.0004","6.9574","0.0004","12.0029","0.0008","77.23","0.005","73.739","0.006","71.192","0.006","520.9","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H28 N2 O4 -","- C22 H30 N2 O4 -","- C22 H30 N2 O4 -","1","0.5","","Braga, Dario; Dichiarante, Elena; Palladino, Giuseppe; Grepioni, Fabrizia; Chierotti, Michele R.; Gobetto, Roberto; Pellegrino, Luca","Remarkable reversal of melting point alternation by co-crystallization","CrystEngComm","2010","12","11","3534","","10.1039/c0ce00253d","","","0.71073","MoKα","","0.1432","0.0545","","","0.1241","0.1505","","","","","","0.862","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212866","11.6701","0.0005","20.9348","0.0007","12.9988","0.0005","90","","114.656","0.005","90","","2886.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 N2 O4 -","- C20 H26 N2 O4 -","- C120 H156 N12 O24 -","6","1.5","","Braga, Dario; Dichiarante, Elena; Palladino, Giuseppe; Grepioni, Fabrizia; Chierotti, Michele R.; Gobetto, Roberto; Pellegrino, Luca","Remarkable reversal of melting point alternation by co-crystallization","CrystEngComm","2010","12","11","3534","","10.1039/c0ce00253d","","","0.71073","MoKα","","0.1188","0.0793","","","0.1883","0.2062","","","","","","1.035","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212867","10.656","0.003","8.429","0.001","22.31","0.002","90","","99.851","0.004","90","","1974.3","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H28 N2 O4 -","- C21 H28 N2 O4 -","- C84 H112 N8 O16 -","4","0.5","","Braga, Dario; Dichiarante, Elena; Palladino, Giuseppe; Grepioni, Fabrizia; Chierotti, Michele R.; Gobetto, Roberto; Pellegrino, Luca","Remarkable reversal of melting point alternation by co-crystallization","CrystEngComm","2010","12","11","3534","","10.1039/c0ce00253d","","","0.71073","MoKα","","0.0605","0.0424","","","0.1152","0.1291","","","","","","1.006","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212868","12.661","0.003","10.129","0.001","17.361","0.002","90","","93.13","0.01","90","","2223.1","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H32 N2 O4 -","- C23 H32 N2 O4 -","- C92 H128 N8 O16 -","4","0.5","","Braga, Dario; Dichiarante, Elena; Palladino, Giuseppe; Grepioni, Fabrizia; Chierotti, Michele R.; Gobetto, Roberto; Pellegrino, Luca","Remarkable reversal of melting point alternation by co-crystallization","CrystEngComm","2010","12","11","3534","","10.1039/c0ce00253d","","","0.71073","MoKα","","0.2667","0.0934","","","0.1766","0.2491","","","","","","1.023","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212869","5.4308","0.0002","20.7179","0.0007","15.4813","0.0006","90","","92.205","0.003","90","","1740.59","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 N2 O4 -","- C18 H22 N2 O4 -","- C72 H88 N8 O16 -","4","1","","Braga, Dario; Dichiarante, Elena; Palladino, Giuseppe; Grepioni, Fabrizia; Chierotti, Michele R.; Gobetto, Roberto; Pellegrino, Luca","Remarkable reversal of melting point alternation by co-crystallization","CrystEngComm","2010","12","11","3534","","10.1039/c0ce00253d","","","0.71073","MoKα","","0.153","0.0882","","","0.1461","0.1685","","","","","","1.159","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212870","13.7629","0.0008","5.3869","0.0004","24.64","0.002","90","","95.597","0.006","90","","1818.1","0.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H24 N2 O4 -","- C19 H24 N2 O4 -","- C76 H96 N8 O16 -","4","0.5","","Braga, Dario; Dichiarante, Elena; Palladino, Giuseppe; Grepioni, Fabrizia; Chierotti, Michele R.; Gobetto, Roberto; Pellegrino, Luca","Remarkable reversal of melting point alternation by co-crystallization","CrystEngComm","2010","12","11","3534","","10.1039/c0ce00253d","","","0.71073","MoKα","","0.1162","0.0647","","","0.1266","0.1429","","","","","","1.099","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212871","7.1246","0.0004","11.1403","0.0004","12.9265","0.0007","81.099","0.004","84.868","0.005","71.717","0.004","961.54","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H26 N2 O4 -","- C20 H26 N2 O4 -","- C40 H52 N4 O8 -","2","1","","Braga, Dario; Dichiarante, Elena; Palladino, Giuseppe; Grepioni, Fabrizia; Chierotti, Michele R.; Gobetto, Roberto; Pellegrino, Luca","Remarkable reversal of melting point alternation by co-crystallization","CrystEngComm","2010","12","11","3534","","10.1039/c0ce00253d","","","0.71073","MoKα","","0.1632","0.058","","","0.1059","0.1333","","","","","","0.911","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212872","21.121","0.002","4.9224","0.0003","16.638","0.001","90","","119.752","0.006","90","","1501.8","0.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Braga, Dario; Dichiarante, Elena; Palladino, Giuseppe; Grepioni, Fabrizia; Chierotti, Michele R.; Gobetto, Roberto; Pellegrino, Luca","Remarkable reversal of melting point alternation by co-crystallization","CrystEngComm","2010","12","11","3534","","10.1039/c0ce00253d","","","0.71073","MoKα","","0.0733","0.0427","","","0.1047","0.1136","","","","","","0.954","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212873","12.2889","0.0004","11.14","0.0005","24.345","0.001","90","","96.933","0.004","90","","3308.4","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 N2 O4 -","- C17 H20 N2 O4 -","- C136 H160 N16 O32 -","8","2","","Braga, Dario; Dichiarante, Elena; Palladino, Giuseppe; Grepioni, Fabrizia; Chierotti, Michele R.; Gobetto, Roberto; Pellegrino, Luca","Remarkable reversal of melting point alternation by co-crystallization","CrystEngComm","2010","12","11","3534","","10.1039/c0ce00253d","","","0.71073","MoKα","","0.285","0.0827","","","0.1553","0.2049","","","","","","0.9","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212874","7.2159","0.0006","7.3354","0.0007","8.8449","0.0007","90.21","0.007","93.428","0.006","115.808","0.009","420.49","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 N2 O4 -","- C18 H22 N2 O4 -","- C18 H22 N2 O4 -","1","0.5","","Braga, Dario; Dichiarante, Elena; Palladino, Giuseppe; Grepioni, Fabrizia; Chierotti, Michele R.; Gobetto, Roberto; Pellegrino, Luca","Remarkable reversal of melting point alternation by co-crystallization","CrystEngComm","2010","12","11","3534","","10.1039/c0ce00253d","","","0.71073","MoKα","","0.0874","0.0499","","","0.124","0.137","","","","","","0.916","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212875","11.138","0.001","47.332","0.005","14.436","0.002","90","","105.832","0.001","90","","7321.7","1.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 N2 O4 -","- C19 H24 N2 O4 -","- C304 H384 N32 O64 -","16","4","","Braga, Dario; Dichiarante, Elena; Palladino, Giuseppe; Grepioni, Fabrizia; Chierotti, Michele R.; Gobetto, Roberto; Pellegrino, Luca","Remarkable reversal of melting point alternation by co-crystallization","CrystEngComm","2010","12","11","3534","","10.1039/c0ce00253d","","","0.71073","MoKα","","0.1923","0.0827","","","0.2294","0.2987","","","","","","0.986","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212876","11.0239","0.001","17.054","0.001","9.754","0.001","90","","90","","90","","1833.8","0.3","250","2","250","2","","","","","","","","5","P n c 2","P 2 -2bc","30","","","","- C16 H13.5 N4 O8.75 Zr0.5 -","- C16 H13.5 N4 O8.75 Zr0.5 -","- C64 H54 N16 O35 Zr2 -","4","1","","Mouchaham, Georges; Roques, Nans; Kaiba, Abdellah; Guionneau, Philippe; Sutter, Jean-Pascal","Tubular crystals growth for a nanoporous hydrogen-bonded metal‒organic framework","CrystEngComm","2010","12","11","3496","","10.1039/c0ce00256a","","","0.71073","MoKα","","0.0656","0.037","","","0.0792","0.0901","","","","","","1.035","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7212877","10.699","0.003","16.784","0.006","10.022","0.003","90","","90","","90","","1799.7","1","373","2","373","2","","","","","","","","5","P n c 2","P 2 -2bc","30","","","","- C16 H12 N4 O8 Zr0.5 -","- C16 H12 N4 O8 Zr0.5 -","- C64 H48 N16 O32 Zr2 -","4","1","","Mouchaham, Georges; Roques, Nans; Kaiba, Abdellah; Guionneau, Philippe; Sutter, Jean-Pascal","Tubular crystals growth for a nanoporous hydrogen-bonded metal‒organic framework","CrystEngComm","2010","12","11","3496","","10.1039/c0ce00256a","","","0.71073","MoKα","","0.074","0.0551","","","0.1359","0.151","","","","","","1.012","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212878","16.387","0.004","11.486","0.003","15.506","0.004","90","","90","","90","","2918.6","1.3","293","2","293","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C36 H60 N24 O30 S2 -","- C36 H36 N24 O29 S2 -","- C72 H72 N48 O58 S4 -","2","0.25","","Liu, Li; Jiang, Xiao; Zhang, Jie","Anion-linked cucurbit[6]uril frameworks formed by microwave-assisted synthesis in ionic liquids","CrystEngComm","2010","12","11","3445","","10.1039/c0ce00265h","","","0.71073","MoKα","","0.1042","0.0798","","","0.218","0.2462","","","","","","0.942","","","","has coordinates,has disorder","180459","2020-10-21","18:00:00",""
"7212879","15.9736","0.0019","11.594","0.0013","14.9519","0.0017","90","","90","","90","","2769.1","0.6","293","2","293","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C36 H58 B2 F8 N24 O22 -","- C36 H36 B2 F8 N24 O22 -","- C72 H72 B4 F16 N48 O44 -","2","0.25","","Liu, Li; Jiang, Xiao; Zhang, Jie","Anion-linked cucurbit[6]uril frameworks formed by microwave-assisted synthesis in ionic liquids","CrystEngComm","2010","12","11","3445","","10.1039/c0ce00265h","","","0.71073","MoKα","","0.1213","0.0672","","","0.1651","0.1921","","","","","","0.954","","","","has coordinates,has disorder","180459","2020-10-21","18:00:00",""
"7212880","16.1459","0.0019","19.2618","0.0015","9.9376","0.0012","90","","124.97","0.004","90","","2532.6","0.5","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","((Mn(phen))2(SnS4))n.nH2O","{[Mn(phen)]2(SnS4)}n.nH2O","","- C24 H18 Mn2 N4 O S4 Sn -","- C24 H18 Mn2 N4 O S4 Sn -","- C96 H72 Mn8 N16 O4 S16 Sn4 -","4","0.5","","Liu, Guang-Ning; Guo, Guo-Cong; Chen, Feng; Guo, Sheng-Ping; Jiang, Xiao-Ming; Yang, Chen; Wang, Ming-Sheng; Wu, Mei-Feng; Huang, Jin-Shun","Stabilization of (SnS4)4− anion by coordinating to [TM(π-conjugated-ligand)m]n+ complex: a chain-like thiostannate(iv) {[Mn(phen)]2(SnS4)}n·nH2O exhibiting an unprecedented link mode of the (SnS4)4− anion","CrystEngComm","2010","12","12","4035","","10.1039/c0ce00292e","","","0.71073","MoKα","","0.0306","0.0249","","","0.0564","0.0594","","","","","","0.995","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212881","11.965","0.003","13.81","0.004","17.296","0.004","76.003","0.011","78.762","0.01","71.809","0.01","2612.3","1.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C35 H36 N6 Ni2 O S20 -","- C35 H36 N6 Ni2 O S20 -","- C70 H72 N12 Ni4 O2 S40 -","2","1","","Jayanty, Subbalakshmi; Akutagawa, Tomoyuki; Nakamura, Takayoshi","Highly polar 7,7-bis(N,N-dimethylpiperazinium)-8,8-dicyanoquinodimethane in [Ni(dmit)2]− salt: crystal structure and magnetic properties","CrystEngComm","2010","12","12","4087","","10.1039/c0ce00322k","","","0.71075","MoKα","","","0.0317","","","","0.051","","","","","","1.067","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212882","9.953","0.0009","12.2882","0.0011","14.1263","0.0012","89.826","0.001","76.541","0.001","75.689","0.001","1625.4","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H27 Cu2 N5 O16 -","- C31 H27 Cu2 N5 O16 -","- C62 H54 Cu4 N10 O32 -","2","1","","Fainerman-Melnikova, Marina; Clegg, Jack K.; Pakchung, Amalie A. H.; Jensen, Paul; Codd, Rachel","Structural diversity of complexes between Cu(ii) or Ni(ii) and endocyclic oxygen- or nitrogen-containing ligands: synthesis, X-ray structure determinations and circular dichroism spectra","CrystEngComm","2010","12","12","4217","","10.1039/c0ce00323a","","","0.71073","MoKα","","0.0277","0.0248","","","0.0692","0.0713","","","","","","1.03","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212883","24.803","0.0017","17.609","0.0019","16.024","0.003","90","","96.585","0.002","90","","6952.4","1.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H30 Cu2 N5 O17.5 -","- C33 H30 Cu2 N5 O17.5 -","- C264 H240 Cu16 N40 O140 -","8","2","","Fainerman-Melnikova, Marina; Clegg, Jack K.; Pakchung, Amalie A. H.; Jensen, Paul; Codd, Rachel","Structural diversity of complexes between Cu(ii) or Ni(ii) and endocyclic oxygen- or nitrogen-containing ligands: synthesis, X-ray structure determinations and circular dichroism spectra","CrystEngComm","2010","12","12","4217","","10.1039/c0ce00323a","","","0.71073","MoKα","","0.0779","0.0438","","","0.0988","0.1135","","","","","","1.017","","","","has coordinates,has disorder","180459","2020-10-21","18:00:00",""
"7212884","15.458","0.002","15.89","0.002","11.43","0.001","90","","99.318","0.004","90","","2770.5","0.6","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H52 Cu4 O42 -","- C42 H52 Cu4 O42 -","- C84 H104 Cu8 O84 -","2","0.25","","Fainerman-Melnikova, Marina; Clegg, Jack K.; Pakchung, Amalie A. H.; Jensen, Paul; Codd, Rachel","Structural diversity of complexes between Cu(ii) or Ni(ii) and endocyclic oxygen- or nitrogen-containing ligands: synthesis, X-ray structure determinations and circular dichroism spectra","CrystEngComm","2010","12","12","4217","","10.1039/c0ce00323a","","","0.71073","MoKα","","0.0314","0.0281","","","0.0725","0.0749","","","","","","1.097","","","","has coordinates,has disorder","180459","2020-10-21","18:00:00",""
"7212885","8.521","0.002","10.161","0.002","21.849","0.003","90","","97.554","0.002","90","","1875.3","0.6","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 Cl Cu N3 O7 -","- C17 H20 Cl Cu N3 O7 -","- C68 H80 Cl4 Cu4 N12 O28 -","4","1","","Fainerman-Melnikova, Marina; Clegg, Jack K.; Pakchung, Amalie A. H.; Jensen, Paul; Codd, Rachel","Structural diversity of complexes between Cu(ii) or Ni(ii) and endocyclic oxygen- or nitrogen-containing ligands: synthesis, X-ray structure determinations and circular dichroism spectra","CrystEngComm","2010","12","12","4217","","10.1039/c0ce00323a","","","0.71073","MoKα","","0.0454","0.0396","","","0.097","0.0999","","","","","","1.189","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212886","4.9663","0.0017","9.909","0.003","10.491","0.004","94.104","0.006","94.908","0.006","97.222","0.006","508.5","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H10 Cu O10 -","- C7 H10 Cu O10 -","- C14 H20 Cu2 O20 -","2","1","","Fainerman-Melnikova, Marina; Clegg, Jack K.; Pakchung, Amalie A. H.; Jensen, Paul; Codd, Rachel","Structural diversity of complexes between Cu(ii) or Ni(ii) and endocyclic oxygen- or nitrogen-containing ligands: synthesis, X-ray structure determinations and circular dichroism spectra","CrystEngComm","2010","12","12","4217","","10.1039/c0ce00323a","","","0.71073","MoKα","","0.0301","0.0257","","","0.065","0.0675","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212887","5.1607","0.0003","5.8504","0.0003","14.517","0.0007","100.254","0.003","95.11","0.003","90.761","0.003","429.4","0.04","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H14 Ni O16 -","- C14 H14 Ni O16 -","- C14 H14 Ni O16 -","1","0.5","","Fainerman-Melnikova, Marina; Clegg, Jack K.; Pakchung, Amalie A. H.; Jensen, Paul; Codd, Rachel","Structural diversity of complexes between Cu(ii) or Ni(ii) and endocyclic oxygen- or nitrogen-containing ligands: synthesis, X-ray structure determinations and circular dichroism spectra","CrystEngComm","2010","12","12","4217","","10.1039/c0ce00323a","","","0.71073","MoKα","","0.045","0.0325","","","0.0652","0.0693","","","","","","1.06","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212888","9.8604","0.0015","14.374","0.002","10.3111","0.0016","90","","95.065","0.003","90","","1455.7","0.4","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H28 N16 O8 Zn2 -","- C20 H28 N16 O8 Zn2 -","- C40 H56 N32 O16 Zn4 -","2","1","","Liang, Xiao-Qiang; Jia, Jiang-Tao; Wu, Tao; Li, Dong-Ping; Liu, Lei; Tsolmon,; Zhu, Guang-Shan","A spontaneously resoluted zinc‒organic framework with nonlinear optical and ferroelectric properties generated from tetrazolate-ethyl ester ligand","CrystEngComm","2010","12","11","3499","","10.1039/c0ce00329h","","","0.71073","MoKα","","0.0583","0.0553","","","0.1428","0.1441","","","","","","1.098","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212889","7.227","0.003","10.992","0.004","13.404","0.006","79.213","0.019","79.168","0.019","74.06","0.018","995.2","0.7","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H15 Au2 Fe N6 O -","- C17 H15 Au2 Fe N6 O -","- C34 H30 Au4 Fe2 N12 O2 -","2","1","","Xu, Haitao; Juhász, Gergely; Yoshizawa, Kazunari; Takahashi, Masashi; Kanegawa, Shinji; Sato, Osamu","Mixed-metal complex [Fe(bipe)(Au(CN)2)2·MeOH] with gold clusters: a novel two-dimensional polyrotaxane net clipped by aurophilic interaction","CrystEngComm","2010","12","12","4031","","10.1039/c0ce00376j","","","0.7107","MoKα","","0.0253","0.0245","","","0.0624","0.0633","","","","","","1.104","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212890","9.5298","0.0002","17.3699","0.0004","10.4197","0.0003","90","","94.017","0.001","90","","1720.55","0.07","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","artemisinin-resorcinol 2/1","artemisinin-resorcinol 2/1","","- C36 H50 O12 -","- C36 H50 O12 -","- C72 H100 O24 -","2","1","","Karki, Shyam; Friščić, Tomislav; Fábián, László; Jones, William","New solid forms of artemisinin obtained through cocrystallisation","CrystEngComm","2010","12","12","4038","","10.1039/c0ce00428f","","","0.71073","MoKα","","0.0421","0.0385","","","0.0984","0.1016","","","","","","1.036","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212891","9.0658","0.0001","14.1061","0.0003","16.5554","0.0003","90","","90","","90","","2117.16","0.06","180","2","180","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","artemisinin-orcinol 1/1","artemisinin-orcinol 1/1","","- C22 H30 O7 -","- C22 H30 O7 -","- C88 H120 O28 -","4","1","","Karki, Shyam; Friščić, Tomislav; Fábián, László; Jones, William","New solid forms of artemisinin obtained through cocrystallisation","CrystEngComm","2010","12","12","4038","","10.1039/c0ce00428f","","","0.71073","MoKα","","0.0723","0.0475","","","0.1076","0.1205","","","","","","1.032","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212892","6.8664","0.0005","12.4548","0.0012","23.4659","0.001","90","","90","","90","","2006.8","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","((R)-1-phenylethylammonium).((2S)-[2-(4-isobutylphenyl)propanoate])","","- C21 H29 N O2 -","- C21 H29 N O2 -","- C84 H116 N4 O8 -","4","1","","Lemmerer, Andreas; Bourne, Susan A.; Caira, Mino R.; Cotton, Jonathan; Hendricks, Umraan; Peinke, Laura C.; Trollope, Lee","Incorporating active pharmaceutical ingredients into a molecular salt using a chiral counterion","CrystEngComm","2010","12","11","3634","","10.1039/c0ce00043d","","","0.71073","MoKα","","0.0685","0.0519","","","0.1332","0.1461","","","","","","1.078","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212893","5.881","0.0005","15.259","0.0006","22.318","0.002","90","","90","","90","","2002.8","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","((S)-1-phenylethylammonium).((2S)-[2-(4-isobutylphenyl)propanoate])","","- C21 H29 N O2 -","- C21 H29 N O2 -","- C84 H116 N4 O8 -","4","1","","Lemmerer, Andreas; Bourne, Susan A.; Caira, Mino R.; Cotton, Jonathan; Hendricks, Umraan; Peinke, Laura C.; Trollope, Lee","Incorporating active pharmaceutical ingredients into a molecular salt using a chiral counterion","CrystEngComm","2010","12","11","3634","","10.1039/c0ce00043d","","","0.71073","MoKα","","0.0864","0.0676","","","0.157","0.1703","","","","","","1.098","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212894","12.499","0.005","6.8934","0.0015","13.411","0.006","90","","113.73","0.03","90","","1057.8","0.7","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","((R)-1-phenylethylammonium).(2-(2-(2,6-dichlorophenylamino)phenyl)acetate)","","- C22 H22 Cl2 N2 O2 -","- C22 H22 Cl2 N2 O2 -","- C44 H44 Cl4 N4 O4 -","2","1","","Lemmerer, Andreas; Bourne, Susan A.; Caira, Mino R.; Cotton, Jonathan; Hendricks, Umraan; Peinke, Laura C.; Trollope, Lee","Incorporating active pharmaceutical ingredients into a molecular salt using a chiral counterion","CrystEngComm","2010","12","11","3634","","10.1039/c0ce00043d","","","0.71073","MoKα","","0.0353","0.029","","","0.0662","0.0691","","","","","","1.022","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212895","12.4158","0.0006","5.5535","0.0002","28.1619","0.0014","90","","94.203","0.002","90","","1936.57","0.15","143","2","143","2","","","","","","","","5","P 1 21 1","P 2yb","4","","((R)-1-phenylethylammonium)). (2-[[3-(trifluoromethyl)phenyl]amino]pyridine-3-carboxylate)","","- C21 H20 F3 N3 O2 -","- C21 H20 F3 N3 O2 -","- C84 H80 F12 N12 O8 -","4","2","","Lemmerer, Andreas; Bourne, Susan A.; Caira, Mino R.; Cotton, Jonathan; Hendricks, Umraan; Peinke, Laura C.; Trollope, Lee","Incorporating active pharmaceutical ingredients into a molecular salt using a chiral counterion","CrystEngComm","2010","12","11","3634","","10.1039/c0ce00043d","","","0.71073","MoKα","","0.0539","0.0423","","","0.0985","0.1045","","","","","","0.992","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212896","50.411","0.0007","50.411","0.0007","48.082","0.0006","90","","90","","90","","122189","3","100","2","100","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C288 H342.38 Cu3 N24 Na20 O159.26 S16 -","- C287 H204 Cu3 N24 Na20 O106 S16 -","- C2296 H1632 Cu24 N192 Na160 O848 S128 -","8","0.5","","De Zorzi, Rita; Guidolin, Nicol; Randaccio, Lucio; Geremia, Silvano","A bifunctionalized porous material containing discrete assemblies of copper-porphyrins and calixarenes metallated by ion diffusion","CrystEngComm","2010","12","12","4056","","10.1039/c0ce00440e","","","1","","","0.1242","0.1023","","","0.2637","0.2839","","","","","","1.053","","","","has coordinates,has disorder","290444","2024-03-12","09:55:30",""
"7212897","49.63","0.0007","49.63","0.0007","49.49","0.0006","90","","90","","90","","121901","3","100","2","100","2","","","","","","","","9","I 41/a :2","-I 4ad","88","","","","- C288 H266 Cl4 Cu3 N24 Na16 O169 S16 Zn4 -","- C288 H204 Cl4 Cu3 N24 Na16 O118.2 S16 Zn4 -","- C2304 H1632 Cl32 Cu24 N192 Na128 O945.6 S128 Zn32 -","8","0.5","","De Zorzi, Rita; Guidolin, Nicol; Randaccio, Lucio; Geremia, Silvano","A bifunctionalized porous material containing discrete assemblies of copper-porphyrins and calixarenes metallated by ion diffusion","CrystEngComm","2010","12","12","4056","","10.1039/c0ce00440e","","","1","","","0.1137","0.0867","","","0.2337","0.2625","","","","","","0.985","","","","has coordinates,has disorder","290444","2024-03-12","09:55:30",""
"7212898","50.17","0.004","50.17","0.004","49.46","0.002","90","","90","","90","","124492","15","293","2","293","2","","","","","","","","8","I 41/a :2","-I 4ad","88","","","","- C280 H418.26 Cu3 N24 Na12.8 Ni3.6 O201.12 S16 -","- C280 H204 Cu3 N24 Na12.8 Ni3.6 O110 S16 -","- C2240 H1632 Cu24 N192 Na102.4 Ni28.8 O880 S128 -","8","0.5","","De Zorzi, Rita; Guidolin, Nicol; Randaccio, Lucio; Geremia, Silvano","A bifunctionalized porous material containing discrete assemblies of copper-porphyrins and calixarenes metallated by ion diffusion","CrystEngComm","2010","12","12","4056","","10.1039/c0ce00440e","","","1","","","0.1523","0.1287","","","0.3237","0.353","","","","","","1.296","","","","has coordinates","290444","2024-03-12","09:55:30",""
"7212899","9.781","0.002","11.905","0.002","15.22","0.003","96.5","0.03","99.07","0.03","112.41","0.03","1588.5","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H56 N18 O30 Zn7 -","- C44 H32 N18 O30 Zn7 -","- C44 H32 N18 O30 Zn7 -","1","0.5","","Qin, Jie; Qin, Chao; Wang, Cui-Xia; Li, Huan; Cui, Ling; Li, Ting-Ting; Wang, Xin-Long","A lacuna in reticular chemistry: an unprecedented binodal (6,10)-connected network based on two distinct zinc clusters","CrystEngComm","2010","12","12","4071","","10.1039/c0ce00582g","","","0.71073","MoKα","","0.0481","0.0403","","","0.11","0.1153","","","","","","1.033","","","","has coordinates,has disorder","180459","2020-10-21","18:00:00",""
"7213546","18.6421","0.0019","18.6421","0.0019","18.6421","0.0019","90","","90","","90","","6478.6","1.1","293","2","293","","","","","","","","","6","F m -3 m","-F 4 2 3","225","","catena-(tetra(μ~8~-(5,5',5'',5'''-(adamantane-1,3,5,7-tetrayl)- -tetrakistetrazolato))- -bis(μ~4~-chloro)-octa(N,N-dimethylformamide)-nona-copper(II), dimethylformamide solvate","","- C83 H111 Cl2 Cu9 N73 O9 -","- C83.2 H48 Cl2 Cu9 N73.44 O10 -","- C166.4 H96 Cl4 Cu18 N146.88 O20 -","2","0.0104167","","Boldog, Ishtvan; Domasevitch, Konstantin; Maclaren, Jana K.; Heering, Christian; Makhloufi, Gamall; Janiak, Christoph","A fluorite isoreticular series of porous framework complexes with tetrahedral ligands: new opportunities for azolate PCPs","CrystEngComm","2014","16","2","148","","10.1039/c3ce42162g","","","1.5418","CuKα","","0.0637","0.0629","","","0.1674","0.1682","","","","","","1.109","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213547","18.9532","0.0003","18.9532","0.0003","31.3238","0.0012","90","","90","","90","","11252.3","0.5","100","2","100","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","catena-(bis(μ~8~-(5,5',5'',5'''-((adamantane-1,3,5,7-tetrayl)- -tetra-(phen-4-yl))-tetrakistetrazolato))- -(μ~4~-chloro)-trichloro-tetra-(N,N-dimethylacetamide)- hexa-copper(ii), dimethylacetamide, methanol and water solvate","","- C76 H56 Cl4 Cu6 N32 -","- C76 H56 Cl4 Cu6 N32 O4 -","- C152 H112 Cl8 Cu12 N64 O8 -","2","0.0625","","Boldog, Ishtvan; Domasevitch, Konstantin; Maclaren, Jana K.; Heering, Christian; Makhloufi, Gamall; Janiak, Christoph","A fluorite isoreticular series of porous framework complexes with tetrahedral ligands: new opportunities for azolate PCPs","CrystEngComm","2014","16","2","148","","10.1039/c3ce42162g","","","0.71073","MoKα","","0.0732","0.055","","","0.1568","0.1673","","","","","","1.088","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213548","19.7788","0.0005","19.7788","0.0005","31.6321","0.0007","90","","90","","90","","12374.5","0.5","220","2","220","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","catena-(bis(μ~8~-(5,5',5'',5'''-((adamantane-1,3,5,7-tetrayl)- -tetra-(phen-4-yl))-tetrakistetrazolato))- -(μ~4~-chloro)-tri-(chloro)-hexa-(N,N-dimethylformamide)- hexa-cadmium(ii), dimethylformamide and water solvate","","- C76 H56 Cd6 Cl4 N32 -","- C76 H56 Cd6 Cl4 N32 O6 -","- C152 H112 Cd12 Cl8 N64 O12 -","2","0.0625","","Boldog, Ishtvan; Domasevitch, Konstantin; Maclaren, Jana K.; Heering, Christian; Makhloufi, Gamall; Janiak, Christoph","A fluorite isoreticular series of porous framework complexes with tetrahedral ligands: new opportunities for azolate PCPs","CrystEngComm","2014","16","2","148","","10.1039/c3ce42162g","","","0.71073","MoKα","","0.0536","0.0414","","","0.1185","0.1228","","","","","","0.972","","","","has coordinates,has disorder","180466","2020-10-21","18:00:00",""
"7213549","6.0892","0.0007","6.5384","0.0007","16.9014","0.0018","80.756","0.002","84.572","0.002","62.398","0.002","588.42","0.11","115","2","115","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H15 O2 -","- C15 H15 O2 -","- C30 H30 O4 -","2","1","","Iwase, Noriaki; Shigeno, Yuta; Wakabayashi, Takashi; Sato, Tomohiro; Tajima, Nobuo; Kuroda, Reiko; Imai, Yoshitane","Molecular recognition of a large bisphenol A derivative, α,α′-bis(4-hydroxyphenyl)-1,4-diisopropylbenzene, using p-benzoquinone derivatives","CrystEngComm","2014","16","2","159","","10.1039/c3ce41432a","","","0.71073","MoKα","","0.0602","0.0485","","","0.1204","0.1279","","","","","","1.037","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213550","6.5163","0.0004","29.4058","0.0019","11.3547","0.0007","90","","90.999","0.001","90","","2175.4","0.2","115","2","115","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H30 O3 -","- C28 H30 O3 -","- C112 H120 O12 -","4","1","","Iwase, Noriaki; Shigeno, Yuta; Wakabayashi, Takashi; Sato, Tomohiro; Tajima, Nobuo; Kuroda, Reiko; Imai, Yoshitane","Molecular recognition of a large bisphenol A derivative, α,α′-bis(4-hydroxyphenyl)-1,4-diisopropylbenzene, using p-benzoquinone derivatives","CrystEngComm","2014","16","2","159","","10.1039/c3ce41432a","","","0.71073","MoKα","","0.0804","0.0559","","","0.1194","0.1298","","","","","","1.034","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213551","6.5284","0.0005","29.274","0.002","11.3182","0.0008","90","","91.019","0.001","90","","2162.7","0.3","115","2","115","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27.5 H28.5 Cl0.5 O3 -","- C27.5 H28.5 Cl0.5 O3 -","- C110 H114 Cl2 O12 -","4","1","","Iwase, Noriaki; Shigeno, Yuta; Wakabayashi, Takashi; Sato, Tomohiro; Tajima, Nobuo; Kuroda, Reiko; Imai, Yoshitane","Molecular recognition of a large bisphenol A derivative, α,α′-bis(4-hydroxyphenyl)-1,4-diisopropylbenzene, using p-benzoquinone derivatives","CrystEngComm","2014","16","2","159","","10.1039/c3ce41432a","","","0.71073","MoKα","","0.0857","0.0639","","","0.1277","0.1368","","","","","","1.089","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213552","17.278","0.002","17.861","0.002","18.092","0.002","82.207","0.005","71.356","0.005","66.625","0.004","4855.8","1","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C96 H234 Cd2 Ce4 Cl14 N66 O107 -","- C96 H96 Cd2 Ce4 Cl14 N66 O62 -","- C96 H96 Cd2 Ce4 Cl14 N66 O62 -","1","0.5","","Cheng, Xiao-Jie; Ji, Ning-Ning; Zhao, Yi; Liang, Li-Li; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu","[CdCl4]2− anion-induced coordination of Ln3+ to cucurbit[8]uril and the formation of supramolecular self-assemblies: potential application in isolation of light lanthanides","CrystEngComm","2014","16","2","144","","10.1039/c3ce41769g","","","0.71073","MoKα","","0.0979","0.0679","","","0.1885","0.2087","","","","","","0.969","","","","has coordinates,has disorder","180466","2020-10-21","18:00:00",""
"7213553","17.1436","0.0006","18.0998","0.0006","18.3169","0.0006","84.896","0.001","65.733","0.001","71.546","0.001","4909.4","0.3","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C96 H240 Cd2 Cl14 N66 Nd4 O110 -","- C96 H96 Cd2 Cl14 N66 Nd4 O62 -","- C96 H96 Cd2 Cl14 N66 Nd4 O62 -","1","0.5","","Cheng, Xiao-Jie; Ji, Ning-Ning; Zhao, Yi; Liang, Li-Li; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu","[CdCl4]2− anion-induced coordination of Ln3+ to cucurbit[8]uril and the formation of supramolecular self-assemblies: potential application in isolation of light lanthanides","CrystEngComm","2014","16","2","144","","10.1039/c3ce41769g","","","0.71073","MoKα","","0.0777","0.0594","","","0.176","0.1934","","","","","","1.031","","","","has coordinates,has disorder","180466","2020-10-21","18:00:00",""
"7213554","17.0632","0.001","18.0202","0.001","18.284","0.001","84.728","0.002","65.772","0.002","71.667","0.002","4862.1","0.5","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C96 H250 Cd2 Cl14 N66 O115 Sm4 -","- C96 H96 Cd2 Cl14 N66 O62 Sm4 -","- C96 H96 Cd2 Cl14 N66 O62 Sm4 -","1","0.5","","Cheng, Xiao-Jie; Ji, Ning-Ning; Zhao, Yi; Liang, Li-Li; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu","[CdCl4]2− anion-induced coordination of Ln3+ to cucurbit[8]uril and the formation of supramolecular self-assemblies: potential application in isolation of light lanthanides","CrystEngComm","2014","16","2","144","","10.1039/c3ce41769g","","","0.71073","MoKα","","0.0878","0.0687","","","0.2066","0.2254","","","","","","1.126","","","","has coordinates,has disorder","180466","2020-10-21","18:00:00",""
"7213555","17.0389","0.0017","17.9558","0.0017","18.3397","0.0019","84.823","0.004","65.727","0.004","71.616","0.004","4848.9","0.9","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C96 H284 Cd2 Cl14 Eu4 N66 O132 -","- C96 H96 Cd2 Cl14 Eu4 N66 O62 -","- C96 H96 Cd2 Cl14 Eu4 N66 O62 -","1","0.5","","Cheng, Xiao-Jie; Ji, Ning-Ning; Zhao, Yi; Liang, Li-Li; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu","[CdCl4]2− anion-induced coordination of Ln3+ to cucurbit[8]uril and the formation of supramolecular self-assemblies: potential application in isolation of light lanthanides","CrystEngComm","2014","16","2","144","","10.1039/c3ce41769g","","","0.71073","MoKα","","0.1313","0.1102","","","0.3205","0.3432","","","","","","1.251","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213556","28.3249","0.0019","28.3249","0.0019","21.949","0.003","90","","90","","90","","17610","3","223","2","223","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C96 H229 Cl4 Gd N64 O98 -","- C96 H96 Cl4 Gd N64 O36 -","- C384 H384 Cl16 Gd4 N256 O144 -","4","0.25","","Cheng, Xiao-Jie; Ji, Ning-Ning; Zhao, Yi; Liang, Li-Li; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu","[CdCl4]2− anion-induced coordination of Ln3+ to cucurbit[8]uril and the formation of supramolecular self-assemblies: potential application in isolation of light lanthanides","CrystEngComm","2014","16","2","144","","10.1039/c3ce41769g","","","0.71073","MoKα","","0.125","0.0894","","","0.2683","0.2925","","","","","","1.055","","","","has coordinates,has disorder","180466","2020-10-21","18:00:00",""
"7213557","28.3123","0.0019","28.3123","0.0019","21.934","0.003","90","","90","","90","","17582","3","223","2","223","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C96 H235 Cl4 N64 O101 Tb -","- C96 H96 Cl4 N64 O36 Tb -","- C384 H384 Cl16 N256 O144 Tb4 -","4","0.25","","Cheng, Xiao-Jie; Ji, Ning-Ning; Zhao, Yi; Liang, Li-Li; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu","[CdCl4]2− anion-induced coordination of Ln3+ to cucurbit[8]uril and the formation of supramolecular self-assemblies: potential application in isolation of light lanthanides","CrystEngComm","2014","16","2","144","","10.1039/c3ce41769g","","","0.71073","MoKα","","0.1109","0.0791","","","0.2312","0.2506","","","","","","1.038","","","","has coordinates,has disorder","180466","2020-10-21","18:00:00",""
"7213558","28.464","0.004","28.464","0.004","21.992","0.003","90","","90","","90","","17818","4","223","2","223","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C96 H239 Cl4 Ho N64 O103 -","- C96 H96 Cl4 Ho N64 O36 -","- C384 H384 Cl16 Ho4 N256 O144 -","4","0.25","","Cheng, Xiao-Jie; Ji, Ning-Ning; Zhao, Yi; Liang, Li-Li; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu","[CdCl4]2− anion-induced coordination of Ln3+ to cucurbit[8]uril and the formation of supramolecular self-assemblies: potential application in isolation of light lanthanides","CrystEngComm","2014","16","2","144","","10.1039/c3ce41769g","","","0.71073","MoKα","","0.1202","0.0832","","","0.2333","0.2562","","","","","","0.992","","","","has coordinates,has disorder","180466","2020-10-21","18:00:00",""
"7213559","28.44","0.003","28.44","0.003","22.01","0.005","90","","90","","90","","17802","5","223","2","223","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C96 H241 Cl4 Er N64 O104 -","- C96 H96 Cl4 Er0.9998 N64 O36 -","- C384 H384 Cl16 Er3.9992 N256 O144 -","4","0.25","","Cheng, Xiao-Jie; Ji, Ning-Ning; Zhao, Yi; Liang, Li-Li; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu","[CdCl4]2− anion-induced coordination of Ln3+ to cucurbit[8]uril and the formation of supramolecular self-assemblies: potential application in isolation of light lanthanides","CrystEngComm","2014","16","2","144","","10.1039/c3ce41769g","","","0.71073","MoKα","","0.1363","0.0752","","","0.2098","0.2323","","","","","","0.944","","","","has coordinates,has disorder","180466","2020-10-21","18:00:00",""
"7213560","28.4011","0.0018","28.4011","0.0018","21.939","0.003","90","","90","","90","","17696","3","223","2","223","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C96 H247 Cl4 N64 O107 Tm -","- C96 H96 Cl4 N64 O36 Tm -","- C384 H384 Cl16 N256 O144 Tm4 -","4","0.25","","Cheng, Xiao-Jie; Ji, Ning-Ning; Zhao, Yi; Liang, Li-Li; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu","[CdCl4]2− anion-induced coordination of Ln3+ to cucurbit[8]uril and the formation of supramolecular self-assemblies: potential application in isolation of light lanthanides","CrystEngComm","2014","16","2","144","","10.1039/c3ce41769g","","","0.71073","MoKα","","0.148","0.088","","","0.2448","0.2711","","","","","","0.967","","","","has coordinates,has disorder","180466","2020-10-21","18:00:00",""
"7213561","28.388","0.003","28.388","0.003","22.036","0.005","90","","90","","90","","17758","5","223","2","223","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C96 H237 Cl4 N64 O102 Yb -","- C96 H96 Cl4 N64 O36 Yb -","- C384 H384 Cl16 N256 O144 Yb4 -","4","0.25","","Cheng, Xiao-Jie; Ji, Ning-Ning; Zhao, Yi; Liang, Li-Li; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu","[CdCl4]2− anion-induced coordination of Ln3+ to cucurbit[8]uril and the formation of supramolecular self-assemblies: potential application in isolation of light lanthanides","CrystEngComm","2014","16","2","144","","10.1039/c3ce41769g","","","0.71073","MoKα","","0.1579","0.0893","","","0.2612","0.2945","","","","","","0.948","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213562","28.3363","0.0019","28.3363","0.0019","21.928","0.003","90","","90","","90","","17607","3","223","2","223","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C96 H241 Cl3.5 Lu N64 O104 -","- C96 H96 Cl4 Lu N64 O36 -","- C384 H384 Cl16 Lu4 N256 O144 -","4","0.25","","Cheng, Xiao-Jie; Ji, Ning-Ning; Zhao, Yi; Liang, Li-Li; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu","[CdCl4]2− anion-induced coordination of Ln3+ to cucurbit[8]uril and the formation of supramolecular self-assemblies: potential application in isolation of light lanthanides","CrystEngComm","2014","16","2","144","","10.1039/c3ce41769g","","","0.71073","MoKα","","0.1176","0.0775","","","0.2289","0.2475","","","","","","1.027","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213563","22.228","0.008","8.878","0.003","17.393","0.005","86.265","0.014","82.354","0.014","79.121","0.011","3337.9","1.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Bis[di(2-pyridylmethyl)aminecopper(II)]-(μ~2~-1,2-bis(4-pyridyl)ethane) Tetraperchlorate Dihydrate","","- C36 H42 Cl4 Cu2 N8 O18 -","- C36 H38 Cl4 Cu2 N8 O18 -","- C108 H114 Cl12 Cu6 N24 O54 -","3","1.5","","Massoud, Salah S.; Taylor, Eric; Liu, Yuemin; Grebowicz, Janusz; Vicente, Ramon; Lalancette, Roger; Mukhopadhyay, Udai; Bernal, Ivan; Watkins, Steven F.","Synthesis, structure, thermal, magnetic properties and quantum mechanical calculations of bridged [bis(di(2-methylpyridyl)amine)-(μ2-1,2-bis(4-pyridyl)ethane)-tetraperchlorato-dicopper(ii)] dihydrate complex","CrystEngComm","2014","16","2","175","","10.1039/c3ce41821a","","x-ray","0.7107","MoKα","","","0.0771","","","","0.2206","","","","","","1.047","","","","has coordinates,has disorder","180466","2020-10-21","18:00:00",""
"7213564","8.529","0.004","8.617","0.004","17.434","0.011","86.31","0.04","81.71","0.03","62.9","0.02","1128.7","1.1","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","Bis[di(2-pyridylmethyl)aminecopper(II)]-(μ~2~-1,2-bis(4-pyridyl)ethane) Tetraperchlorate Dihydrate","","- C36 H42 Cl4 Cu2 N8 O18 -","- C36 H38 Cl4 Cu2 N8 O18 -","- C36 H38 Cl4 Cu2 N8 O18 -","1","0.5","","Massoud, Salah S.; Taylor, Eric; Liu, Yuemin; Grebowicz, Janusz; Vicente, Ramon; Lalancette, Roger; Mukhopadhyay, Udai; Bernal, Ivan; Watkins, Steven F.","Synthesis, structure, thermal, magnetic properties and quantum mechanical calculations of bridged [bis(di(2-methylpyridyl)amine)-(μ2-1,2-bis(4-pyridyl)ethane)-tetraperchlorato-dicopper(ii)] dihydrate complex","CrystEngComm","2014","16","2","175","","10.1039/c3ce41821a","","x-ray","0.7107","MoKα","","","0.0904","","","","0.2443","","","","","","1.071","","","","has coordinates,has disorder","180466","2020-10-21","18:00:00",""
"7213565","8.569","0.003","8.666","0.003","17.564","0.007","87.05","0.02","82","0.02","62.917","0.013","1149.9","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis[di(2-pyridylmethyl)aminecopper(II)]-(μ~2~-1,2-bis(4-pyridyl)ethane) Tetraperchlorate Dihydrate","","- C36 H42 Cl4 Cu2 N8 O18 -","- C36 H38 Cl4 Cu2 N8 O18 -","- C36 H38 Cl4 Cu2 N8 O18 -","1","0.5","","Massoud, Salah S.; Taylor, Eric; Liu, Yuemin; Grebowicz, Janusz; Vicente, Ramon; Lalancette, Roger; Mukhopadhyay, Udai; Bernal, Ivan; Watkins, Steven F.","Synthesis, structure, thermal, magnetic properties and quantum mechanical calculations of bridged [bis(di(2-methylpyridyl)amine)-(μ2-1,2-bis(4-pyridyl)ethane)-tetraperchlorato-dicopper(ii)] dihydrate complex","CrystEngComm","2014","16","2","175","","10.1039/c3ce41821a","","x-ray","0.7107","MoKα","","","0.0484","","","","0.1261","","","","","","1.065","","","","has coordinates,has disorder","180466","2020-10-21","18:00:00",""
"7213566","4.26162","0.00009","12.71748","0.00028","13.95174","0.00031","90","","98.2979","0.0009","90","","748.23","0.03","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 Br D5 I N -","- C5 Br D5 I N -","- C20 Br4 D20 I4 N4 -","4","1","","Jones, Richard H.; Knight, Kevin S.; Marshall, William G.; Clews, John; Darton, Richard J.; Pyatt, Daniel; Coles, Simon J.; Horton, Peter N.","Colossal thermal expansion and negative thermal expansion in simple halogen bonded complexes","CrystEngComm","2014","16","2","237","","10.1039/c3ce41909f","powder diffraction","neutron","","neutron","","","","","","","","0.09156","","2.88","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213567","4.2564","0.0001","12.7251","0.0004","13.9443","0.0003","90","","98.358","0.002","90","","747.25","0.03","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H5 Br I N -","- C5 H5 Br I N -","- C20 H20 Br4 I4 N4 -","4","1","","Jones, Richard H.; Knight, Kevin S.; Marshall, William G.; Clews, John; Darton, Richard J.; Pyatt, Daniel; Coles, Simon J.; Horton, Peter N.","Colossal thermal expansion and negative thermal expansion in simple halogen bonded complexes","CrystEngComm","2014","16","2","237","","10.1039/c3ce41909f","","","0.71073","MoKα","","0.0267","0.0251","","0.0647","0.0642","0.0647","","","","","","0.9808","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213568","4.3813","0.0002","12.6339","0.0005","14.1942","0.0004","90","","97.706","0.002","90","","778.59","0.05","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H5 Br I N -","- C5 H5 Br I N -","- C20 H20 Br4 I4 N4 -","4","1","","Jones, Richard H.; Knight, Kevin S.; Marshall, William G.; Clews, John; Darton, Richard J.; Pyatt, Daniel; Coles, Simon J.; Horton, Peter N.","Colossal thermal expansion and negative thermal expansion in simple halogen bonded complexes","CrystEngComm","2014","16","2","237","","10.1039/c3ce41909f","","","0.71073","MoKα","","0.0455","0.0363","","0.1079","0.1009","0.1079","","","","","","1.0417","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213569","4.1628","0.0002","12.3376","0.0007","13.9514","0.0007","90","","95.073","0.004","90","","713.72","0.06","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H5 Cl I N -","- C5 H5 Cl I N -","- C20 H20 Cl4 I4 N4 -","4","1","","Jones, Richard H.; Knight, Kevin S.; Marshall, William G.; Clews, John; Darton, Richard J.; Pyatt, Daniel; Coles, Simon J.; Horton, Peter N.","Colossal thermal expansion and negative thermal expansion in simple halogen bonded complexes","CrystEngComm","2014","16","2","237","","10.1039/c3ce41909f","","","0.71073","MoKα","","0.027","0.0243","","0.0486","0.046","0.0486","","","","","","1.0147","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213570","4.2746","0.0002","12.3214","0.0008","14.1019","0.0008","90","","94.883","0.004","90","","740.04","0.07","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H5 Cl I N -","- C5 H5 Cl I N -","- C20 H20 Cl4 I4 N4 -","4","1","","Jones, Richard H.; Knight, Kevin S.; Marshall, William G.; Clews, John; Darton, Richard J.; Pyatt, Daniel; Coles, Simon J.; Horton, Peter N.","Colossal thermal expansion and negative thermal expansion in simple halogen bonded complexes","CrystEngComm","2014","16","2","237","","10.1039/c3ce41909f","","","0.71073","MoKα","","0.0399","0.032","","0.0537","0.0482","0.0537","","","","","","1.0139","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213571","11.642","0.0009","4.6349","0.0004","18.8292","0.0018","90","","95.453","0.005","90","","1011.42","0.15","91","2","91","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-(2-methoxybenzyl)-1,3,4-thiadiazole-2(3H)-thione","","- C10 H10 N2 O2 S -","- C10 H10 N2 O2 S -","- C40 H40 N8 O8 S4 -","4","1","","Khan, Imtiaz; Ibrar, Aliya; Simpson, Jim","Similarities and differences in the crystal packing of methoxybenzyl and methoxyphenylethyl-1,3,4-oxadiazole-2(3H)-thiones","CrystEngComm","2014","16","2","164","","10.1039/c3ce42000k","","","0.71073","MoKα","","0.0457","0.0335","","","0.0736","0.0795","","","","","","1.049","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213572","8.6916","0.0007","13.2144","0.0011","8.9458","0.0007","90","","93.96","0.004","90","","1025.01","0.14","91","2","91","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-(3-methoxybenzyl)-1,3,4-thiadiazole-2(3H)-thione","","- C10 H10 N2 O2 S -","- C10 H10 N2 O2 S -","- C40 H40 N8 O8 S4 -","4","1","","Khan, Imtiaz; Ibrar, Aliya; Simpson, Jim","Similarities and differences in the crystal packing of methoxybenzyl and methoxyphenylethyl-1,3,4-oxadiazole-2(3H)-thiones","CrystEngComm","2014","16","2","164","","10.1039/c3ce42000k","","","0.71073","MoKα","","0.0479","0.0398","","","0.0938","0.0993","","","","","","1.052","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213573","7.5365","0.0003","5.5019","0.0003","24.9737","0.0012","90","","92.956","0.002","90","","1034.16","0.09","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-(4-methoxybenzyl)-1,3,4-thiadiazole-2(3H)-thione","","- C10 H10 N2 O2 S -","- C10 H10 N2 O2 S -","- C40 H40 N8 O8 S4 -","4","1","","Khan, Imtiaz; Ibrar, Aliya; Simpson, Jim","Similarities and differences in the crystal packing of methoxybenzyl and methoxyphenylethyl-1,3,4-oxadiazole-2(3H)-thiones","CrystEngComm","2014","16","2","164","","10.1039/c3ce42000k","","","0.71073","MoKα","","0.0423","0.0364","","","0.0889","0.0933","","","","","","1.046","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213574","9.8668","0.0008","6.9888","0.0006","16.1978","0.0013","90","","98.855","0.004","90","","1103.64","0.16","92","2","92","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-(2-methoxyphenethyl)-1,3,4-thiadiazole-2(3H)-thione","","- C11 H12 N2 O2 S -","- C11 H12 N2 O2 S -","- C44 H48 N8 O8 S4 -","4","1","","Khan, Imtiaz; Ibrar, Aliya; Simpson, Jim","Similarities and differences in the crystal packing of methoxybenzyl and methoxyphenylethyl-1,3,4-oxadiazole-2(3H)-thiones","CrystEngComm","2014","16","2","164","","10.1039/c3ce42000k","","","0.71073","MoKα","","0.0407","0.0335","","","0.0876","0.0924","","","","","","1.072","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213575","7.8075","0.0008","11.2905","0.0013","13.2898","0.0018","88.359","0.007","80.741","0.006","73.514","0.006","1108.5","0.2","92","2","92","2","","","","","","","","5","P -1","-P 1","2","","5-(4-methoxyphenethyl)-1,3,4-thiadiazole-2(3H)-thione","","- C11 H12 N2 O2 S -","- C11 H12 N2 O2 S -","- C44 H48 N8 O8 S4 -","4","2","","Khan, Imtiaz; Ibrar, Aliya; Simpson, Jim","Similarities and differences in the crystal packing of methoxybenzyl and methoxyphenylethyl-1,3,4-oxadiazole-2(3H)-thiones","CrystEngComm","2014","16","2","164","","10.1039/c3ce42000k","","","0.71073","MoKα","","0.0788","0.0566","","","0.1502","0.1733","","","","","","1.051","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213576","11.4959","0.0007","19.4686","0.0012","18.3104","0.0011","90","","105.464","0.001","90","","3949.7","0.4","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 Mo5 N6 O22 P2 -","- C28 H32 Mo5 N6 O22 P2 -","- C112 H128 Mo20 N24 O88 P8 -","4","1","","Smith, Tiffany M.; Perkins, Kathryn; Symester, Diona; Freund, Steve R.; Vargas, Jose; Spinu, Leonard; Zubieta, Jon","Solid state coordination chemistry of oxomolybdenum‒organodiphosphonate materials: consequences of introducing xylyldiphosphonate components","CrystEngComm","2014","16","2","191","","10.1039/c3ce41728j","","","0.71073","MoKα","","0.0165","0.0154","","","0.0394","0.0401","","","","","","0.93","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213577","11.1778","0.0007","11.1778","0.0007","27.641","0.0017","90","","90","","120","","2990.9","0.3","90","2","90","2","","","","","","","","6","P 32","P 32","145","","","","- C28 H30 Mo5 N6 O21 P2 -","- C28 H30 Mo5 N6 O21 P2 -","- C84 H90 Mo15 N18 O63 P6 -","3","1","","Smith, Tiffany M.; Perkins, Kathryn; Symester, Diona; Freund, Steve R.; Vargas, Jose; Spinu, Leonard; Zubieta, Jon","Solid state coordination chemistry of oxomolybdenum‒organodiphosphonate materials: consequences of introducing xylyldiphosphonate components","CrystEngComm","2014","16","2","191","","10.1039/c3ce41728j","","","0.71073","MoKα","","0.035","0.0338","","","0.0902","0.0908","","","","","","1.049","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213578","23.327","0.003","21.115","0.003","9.7462","0.0014","90","","90","","90","","4800.5","1.1","90","2","90","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C38 H35 Co Mo5 N6 O23 P2 -","- C38 H32 Co Mo5 N6 O23 P2 -","- C152 H128 Co4 Mo20 N24 O92 P8 -","4","1","","Smith, Tiffany M.; Perkins, Kathryn; Symester, Diona; Freund, Steve R.; Vargas, Jose; Spinu, Leonard; Zubieta, Jon","Solid state coordination chemistry of oxomolybdenum‒organodiphosphonate materials: consequences of introducing xylyldiphosphonate components","CrystEngComm","2014","16","2","191","","10.1039/c3ce41728j","","","0.71073","MoKα","","0.0494","0.0395","","","0.0864","0.0903","","","","","","1.03","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213579","14.574","0.003","17.358","0.003","20.413","0.004","90","","90","","90","","5164","1.7","90","2","90","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C38 H47 Co Mo5 N6 O28 P2 -","- C38 H44 Co Mo5 N6 O28 P2 -","- C152 H176 Co4 Mo20 N24 O112 P8 -","4","1","","Smith, Tiffany M.; Perkins, Kathryn; Symester, Diona; Freund, Steve R.; Vargas, Jose; Spinu, Leonard; Zubieta, Jon","Solid state coordination chemistry of oxomolybdenum‒organodiphosphonate materials: consequences of introducing xylyldiphosphonate components","CrystEngComm","2014","16","2","191","","10.1039/c3ce41728j","","","0.71073","MoKα","","0.0478","0.0377","","","0.0735","0.0766","","","","","","0.973","","","","has coordinates,has disorder","180466","2020-10-21","18:00:00",""
"7213580","13.0366","0.0013","13.0703","0.0013","20.989","0.002","76.271","0.003","85.514","0.003","60.541","0.003","3021.9","0.5","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H52 Cu2 Mo5 N8 O27 P2 -","- C48 H46 Cu2 Mo5 N8 O24 P2 -","- C96 H92 Cu4 Mo10 N16 O48 P4 -","2","1","","Smith, Tiffany M.; Perkins, Kathryn; Symester, Diona; Freund, Steve R.; Vargas, Jose; Spinu, Leonard; Zubieta, Jon","Solid state coordination chemistry of oxomolybdenum‒organodiphosphonate materials: consequences of introducing xylyldiphosphonate components","CrystEngComm","2014","16","2","191","","10.1039/c3ce41728j","","","0.71073","MoKα","","0.0678","0.0457","","","0.1376","0.1533","","","","","","1.041","","","","has coordinates,has disorder","180466","2020-10-21","18:00:00",""
"7213581","13.4404","0.0014","21.237","0.002","18.1894","0.0014","90","","118.357","0.006","90","","4568.9","0.8","90","2","90","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H40 Cu2 Mo5 N4 O29 P2 -","- C32 H40 Cu2 Mo5 N4 O29 P2 -","- C128 H160 Cu8 Mo20 N16 O116 P8 -","4","1","","Smith, Tiffany M.; Perkins, Kathryn; Symester, Diona; Freund, Steve R.; Vargas, Jose; Spinu, Leonard; Zubieta, Jon","Solid state coordination chemistry of oxomolybdenum‒organodiphosphonate materials: consequences of introducing xylyldiphosphonate components","CrystEngComm","2014","16","2","191","","10.1039/c3ce41728j","","","0.71073","MoKα","","0.0505","0.035","","","0.0743","0.0822","","","","","","1.108","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213582","53.884","0.003","9.5839","0.0005","18.7832","0.0009","90","","91.589","0.001","90","","9696.3","0.9","90","2","90","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H34 Cu2 Mo5 N4 O26 P3 -","- C36 H34 Cu2 Mo5 N4 O26 P3 -","- C288 H272 Cu16 Mo40 N32 O208 P24 -","8","1","","Smith, Tiffany M.; Perkins, Kathryn; Symester, Diona; Freund, Steve R.; Vargas, Jose; Spinu, Leonard; Zubieta, Jon","Solid state coordination chemistry of oxomolybdenum‒organodiphosphonate materials: consequences of introducing xylyldiphosphonate components","CrystEngComm","2014","16","2","191","","10.1039/c3ce41728j","","","0.71073","MoKα","","0.0476","0.0317","","","0.062","0.0661","","","","","","1.033","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213583","15.6642","0.0011","17.0366","0.0013","18.1045","0.0013","90","","110.366","0.001","90","","4529.4","0.6","90","2","90","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H42 Mo5 N4 Ni O29 P2 -","- C28 H42 Mo5 N4 Ni O29 P2 -","- C112 H168 Mo20 N16 Ni4 O116 P8 -","4","1","","Smith, Tiffany M.; Perkins, Kathryn; Symester, Diona; Freund, Steve R.; Vargas, Jose; Spinu, Leonard; Zubieta, Jon","Solid state coordination chemistry of oxomolybdenum‒organodiphosphonate materials: consequences of introducing xylyldiphosphonate components","CrystEngComm","2014","16","2","191","","10.1039/c3ce41728j","","","0.71073","MoKα","","0.0229","0.0183","","","0.0428","0.0448","","","","","","1.031","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213584","14.3824","0.0013","23.955","0.002","20.6777","0.0019","90","","100.325","0.002","90","","7008.7","1.1","90","2","90","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H58 Mo6 N12 Ni2 O33 P2 -","- C56 H56 Mo6 N12 Ni2 O33 P2 -","- C224 H224 Mo24 N48 Ni8 O132 P8 -","4","1","","Smith, Tiffany M.; Perkins, Kathryn; Symester, Diona; Freund, Steve R.; Vargas, Jose; Spinu, Leonard; Zubieta, Jon","Solid state coordination chemistry of oxomolybdenum‒organodiphosphonate materials: consequences of introducing xylyldiphosphonate components","CrystEngComm","2014","16","2","191","","10.1039/c3ce41728j","","","0.71073","MoKα","","0.0909","0.0487","","","0.0981","0.1154","","","","","","0.943","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213585","24.135","0.004","11.8418","0.0018","20.308","0.003","90","","112.14","0.004","90","","5376.1","1.5","90","2","90","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H24 Mo2 N3 Ni O15 P2 -","- C20 H22 Mo2 N3 Ni O15 P2 -","- C160 H176 Mo16 N24 Ni8 O120 P16 -","8","1","","Smith, Tiffany M.; Perkins, Kathryn; Symester, Diona; Freund, Steve R.; Vargas, Jose; Spinu, Leonard; Zubieta, Jon","Solid state coordination chemistry of oxomolybdenum‒organodiphosphonate materials: consequences of introducing xylyldiphosphonate components","CrystEngComm","2014","16","2","191","","10.1039/c3ce41728j","","","0.71073","MoKα","","0.0508","0.0428","","","0.1143","0.1189","","","","","","1.023","","","","has coordinates,has disorder","180466","2020-10-21","18:00:00",""
"7213586","17.3753","0.0012","11.3661","0.0008","22.3579","0.0015","90","","103.118","0.001","90","","4300.2","0.5","90","2","90","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H34 Mo5 N6 Ni2 O25 P2 -","- C28 H30 Mo5 N6 Ni2 O25 P2 -","- C112 H120 Mo20 N24 Ni8 O100 P8 -","4","0.5","","Smith, Tiffany M.; Perkins, Kathryn; Symester, Diona; Freund, Steve R.; Vargas, Jose; Spinu, Leonard; Zubieta, Jon","Solid state coordination chemistry of oxomolybdenum‒organodiphosphonate materials: consequences of introducing xylyldiphosphonate components","CrystEngComm","2014","16","2","191","","10.1039/c3ce41728j","","","0.71073","MoKα","","0.0442","0.0317","","","0.0636","0.0672","","","","","","1.033","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213587","10.9305","0.0012","12.2497","0.0014","16.2618","0.0018","85.669","0.002","76.269","0.002","66.823","0.002","1944.1","0.4","90","2","90","2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H35 Cu2 F3 Mo2 N4 O16 P2 -","- C32 H34 Cu2 F3 Mo2 N4 O16 P2 -","- C64 H68 Cu4 F6 Mo4 N8 O32 P4 -","2","1","","Smith, Tiffany M.; Perkins, Kathryn; Symester, Diona; Freund, Steve R.; Vargas, Jose; Spinu, Leonard; Zubieta, Jon","Solid state coordination chemistry of oxomolybdenum‒organodiphosphonate materials: consequences of introducing xylyldiphosphonate components","CrystEngComm","2014","16","2","191","","10.1039/c3ce41728j","","","0.71073","MoKα","","0.0582","0.0411","","","0.1162","0.1279","","","","","","1.047","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213588","8.9981","0.0006","20.6917","0.0016","21.1555","0.0016","113.586","0.002","96.089","0.002","95.629","0.002","3546.5","0.5","90","2","90","2","","","","","","","","8","P -1","-P 1","2","","","","- C61 H56 Cu3 F7 Mo4 N9 O23 P4 -","- C61 H56 Cu3 F7 Mo4 N9 O23 P4 -","- C122 H112 Cu6 F14 Mo8 N18 O46 P8 -","2","1","","Smith, Tiffany M.; Perkins, Kathryn; Symester, Diona; Freund, Steve R.; Vargas, Jose; Spinu, Leonard; Zubieta, Jon","Solid state coordination chemistry of oxomolybdenum‒organodiphosphonate materials: consequences of introducing xylyldiphosphonate components","CrystEngComm","2014","16","2","191","","10.1039/c3ce41728j","","","0.71073","MoKα","","0.0605","0.0351","","","0.0633","0.0705","","","","","","1.007","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213589","8.562","0.002","19.809","0.005","13.219","0.003","90","","103.447","0.003","90","","2180.5","0.9","90","2","90","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C36 H36 Cu3 F2 Mo2 N4 O18 P4 -","- C36 H36 Cu3 F2 Mo2 N4 O18 P4 -","- C72 H72 Cu6 F4 Mo4 N8 O36 P8 -","2","0.5","","Smith, Tiffany M.; Perkins, Kathryn; Symester, Diona; Freund, Steve R.; Vargas, Jose; Spinu, Leonard; Zubieta, Jon","Solid state coordination chemistry of oxomolybdenum‒organodiphosphonate materials: consequences of introducing xylyldiphosphonate components","CrystEngComm","2014","16","2","191","","10.1039/c3ce41728j","","","0.71073","MoKα","","0.0573","0.0485","","","0.1262","0.1302","","","","","","1.062","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213590","6.309","0.0006","10.7274","0.0009","6.3907","0.0006","90","","90","","90","","432.52","0.07","100","2","100","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C3 H3 Br O2 -","- C3 H3 Br O2 -","- C12 H12 Br4 O8 -","4","0.5","","Deringer, Volker L.; Pan, Fangfang; George, Janine; Müller, Paul; Dronskowski, Richard; Englert, Ulli","Intermolecular contacts in bromomalonic aldehyde—intuition, experiment, and theory","CrystEngComm","2014","16","2","135","","10.1039/c3ce41779d","","","0.71073","MoKα","","0.0526","0.0384","","","0.0792","0.083","","","","","","0.999","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213591","6.503","0.013","10.85","0.02","6.429","0.013","90","","90","","90","","453.6","1.5","291","2","291","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C3 H3 Br O2 -","- C3 H3 Br O2 -","- C12 H12 Br4 O8 -","4","0.5","","Deringer, Volker L.; Pan, Fangfang; George, Janine; Müller, Paul; Dronskowski, Richard; Englert, Ulli","Intermolecular contacts in bromomalonic aldehyde—intuition, experiment, and theory","CrystEngComm","2014","16","2","135","","10.1039/c3ce41779d","","","0.71073","MoKα","","0.0212","0.019","","","0.0398","0.0406","","","","","","1.033","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213592","20.8479","0.0005","35.6759","0.0009","38.2974","0.0008","90","","92.107","0.002","90","","28465.1","1.2","293","2","293","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C26 H239 Fe6 Ge6 K9 N26 O282 Sm6 W60 -","- C12 H60 Fe6 Ge6 K9 N12 O282 Sm6 W60 -","- C48 H240 Fe24 Ge24 K36 N48 O1128 Sm24 W240 -","4","0.5","","Wang, Jun; Zhao, Jun-Wei; Zhao, Hai-Yan; Yang, Bai-Feng; He, Huan; Yang, Guo-Yu","Syntheses, structures and properties of two multi-iron‒samarium/multi-iron substituted germanotungstates","CrystEngComm","2014","16","2","252","","10.1039/c3ce42023j","","","0.71073","MoKα","","0.0795","0.0491","","","0.1024","0.1127","","","","","","1.069","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213593","20.7644","0.0004","25.0049","0.0006","22.6513","0.0005","90","","100.729","0.002","90","","11555.2","0.4","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C12 H87 Fe6 Ge3 K N12 O107 W24 -","- C2 H10 Fe6 Ge3 K N2 O104 W24 -","- C8 H40 Fe24 Ge12 K4 N8 O416 W96 -","4","1","","Wang, Jun; Zhao, Jun-Wei; Zhao, Hai-Yan; Yang, Bai-Feng; He, Huan; Yang, Guo-Yu","Syntheses, structures and properties of two multi-iron‒samarium/multi-iron substituted germanotungstates","CrystEngComm","2014","16","2","252","","10.1039/c3ce42023j","","","0.71073","MoKα","","0.1123","0.0667","","","0.166","0.1867","","","","","","1.071","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213594","14.0054","0.0003","15.1789","0.0003","18.5649","0.0003","90","","94.108","0.002","90","","3936.51","0.13","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 Ag2 Cd I2 N4 O11 -","- C36 H28 Ag2 Cd I2 N4 O11 -","- C144 H112 Ag8 Cd4 I8 N16 O44 -","4","1","","Wei, Yong-Li; Li, Xiao-Yuan; Kang, Ting-Ting; Wang, Su-Na; Zang, Shuang-Quan","A series of Ag(i)‒Cd(ii) hetero- and Ag(i) homo-nuclear coordination polymers based on 5-iodo-isophthalic acid and N-donor ancillary ligands","CrystEngComm","2014","16","2","223","","10.1039/c3ce41714j","","","0.71073","MoKα","","0.0566","0.0398","","","0.0758","0.0806","","","","","","1.082","","","","has coordinates,has disorder","180466","2020-10-21","18:00:00",""
"7213595","15.794","0.0005","13.4071","0.0006","17.8147","0.0008","90","","93.021","0.003","90","","3767.1","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H24 Ag2 Cd I2 N4 O9 -","- C40 H24 Ag2 Cd I2 N4 O9 -","- C160 H96 Ag8 Cd4 I8 N16 O36 -","4","1","","Wei, Yong-Li; Li, Xiao-Yuan; Kang, Ting-Ting; Wang, Su-Na; Zang, Shuang-Quan","A series of Ag(i)‒Cd(ii) hetero- and Ag(i) homo-nuclear coordination polymers based on 5-iodo-isophthalic acid and N-donor ancillary ligands","CrystEngComm","2014","16","2","223","","10.1039/c3ce41714j","","","0.71073","MoKα","","0.0831","0.0675","","","0.1563","0.1624","","","","","","1.061","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213596","26.099","0.0017","8.7015","0.0003","15.0839","0.0009","90","","116.468","0.008","90","","3066.5","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H10 Ag2 I N O4 -","- C14 H10 Ag2 I N O4 -","- C112 H80 Ag16 I8 N8 O32 -","8","1","","Wei, Yong-Li; Li, Xiao-Yuan; Kang, Ting-Ting; Wang, Su-Na; Zang, Shuang-Quan","A series of Ag(i)‒Cd(ii) hetero- and Ag(i) homo-nuclear coordination polymers based on 5-iodo-isophthalic acid and N-donor ancillary ligands","CrystEngComm","2014","16","2","223","","10.1039/c3ce41714j","","","0.71073","MoKα","","0.0475","0.0387","","","0.0882","0.0928","","","","","","1.064","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213597","9.2367","0.0009","9.3456","0.0008","13.4445","0.0011","88.897","0.007","71.282","0.008","67.893","0.008","1011.53","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H15 Ag2 I N2 O4 -","- C20 H15 Ag2 I N2 O4 -","- C40 H30 Ag4 I2 N4 O8 -","2","1","","Wei, Yong-Li; Li, Xiao-Yuan; Kang, Ting-Ting; Wang, Su-Na; Zang, Shuang-Quan","A series of Ag(i)‒Cd(ii) hetero- and Ag(i) homo-nuclear coordination polymers based on 5-iodo-isophthalic acid and N-donor ancillary ligands","CrystEngComm","2014","16","2","223","","10.1039/c3ce41714j","","","0.71073","MoKα","","0.0466","0.0332","","","0.0665","0.0717","","","","","","1.001","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213598","11.2576","0.0004","12.6293","0.0004","16.9504","0.0005","102.542","0.003","93.087","0.003","106.942","0.003","2232.56","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H34 Ag4 I2 N8 O8 -","- C44 H34 Ag4 I2 N8 O8 -","- C88 H68 Ag8 I4 N16 O16 -","2","1","","Wei, Yong-Li; Li, Xiao-Yuan; Kang, Ting-Ting; Wang, Su-Na; Zang, Shuang-Quan","A series of Ag(i)‒Cd(ii) hetero- and Ag(i) homo-nuclear coordination polymers based on 5-iodo-isophthalic acid and N-donor ancillary ligands","CrystEngComm","2014","16","2","223","","10.1039/c3ce41714j","","","0.71073","MoKα","","0.0629","0.0453","","","0.1092","0.1176","","","","","","1.004","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213599","24.461","0.006","12.134","0.003","14.921","0.004","90","","114.525","0.004","90","","4029.1","1.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H48 Dy N19 O17 -","- C24 H48 Dy N19 O17 -","- C96 H192 Dy4 N76 O68 -","4","0.5","","Liu, Qing-Yan; Li, Yi-Lei; Xiong, Wei-Lu; Wang, Yu-Ling; Luo, Feng; Liu, Cai-Ming; Chen, Li-Li","Urothermal synthesis of mononuclear lanthanide compounds: slow magnetization relaxation observed in Dy analogue","CrystEngComm","2014","16","4","585","","10.1039/c3ce41762j","","","0.71073","MoKα","","0.0333","0.0312","","","0.0832","0.0864","","","","","","1.003","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213600","24.3791","0.0012","12.1598","0.0006","14.82","0.0007","90","","114.394","0.001","90","","4001.1","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H48 N19 O17 Tb -","- C24 H48 N19 O17 Tb -","- C96 H192 N76 O68 Tb4 -","4","0.5","","Liu, Qing-Yan; Li, Yi-Lei; Xiong, Wei-Lu; Wang, Yu-Ling; Luo, Feng; Liu, Cai-Ming; Chen, Li-Li","Urothermal synthesis of mononuclear lanthanide compounds: slow magnetization relaxation observed in Dy analogue","CrystEngComm","2014","16","4","585","","10.1039/c3ce41762j","","","0.71073","MoKα","","0.0381","0.034","","","0.0908","0.0965","","","","","","1","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213601","7.392","0.0002","10.792","0.0003","11.641","0.0004","80.286","0.001","88.272","0.001","77.08","0.001","892.14","0.05","113","2","113","2","","","","","","","","6","P -1","-P 1","2","1","","","- C10 H14 Ag2 Cl2 N2 O12 -","- C10 H14 Ag2 Cl2 N2 O12 -","- C20 H28 Ag4 Cl4 N4 O24 -","2","1","","Puttreddy, Rakesh; Steel, Peter J.","Pyridine N-oxide: a hyperdentate argentophile","CrystEngComm","2014","16","4","556","","10.1039/c3ce42030b","","","0.71073","MoKα","","0.022","0.0211","","","0.0547","0.0553","","","","","","1.023","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213602","21.9957","0.0002","21.9957","0.0002","14.0739","0.0001","90","","90","","120","","5896.86","0.09","120","2","120","2","","","","","","","","6","R 3 :H","R 3","146","2","","","- C20 H20 Ag2 Cl2 N4 O12 -","- C20 H20 Ag2 Cl2 N4 O12 -","- C180 H180 Ag18 Cl18 N36 O108 -","9","1","","Puttreddy, Rakesh; Steel, Peter J.","Pyridine N-oxide: a hyperdentate argentophile","CrystEngComm","2014","16","4","556","","10.1039/c3ce42030b","","","0.71073","MoKα","","0.0215","0.0203","","","0.0504","0.0512","","","","","","1.158","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213603","13.3014","0.0003","13.3014","0.0003","5.9918","0.0002","90","","90","","120","","918.08","0.04","120","2","120","2","","","","","","","","6","P 63/m","-P 6c","176","3","","","- C15 H15 Ag Cl N3 O8 -","- C15 H15 Ag Cl N3 O8 -","- C30 H30 Ag2 Cl2 N6 O16 -","2","0.166667","","Puttreddy, Rakesh; Steel, Peter J.","Pyridine N-oxide: a hyperdentate argentophile","CrystEngComm","2014","16","4","556","","10.1039/c3ce42030b","","","0.71073","MoKα","","0.0454","0.0412","","","0.1019","0.1051","","","","","","1.169","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213604","8.26718","0.00008","10.26639","0.00013","11.74637","0.00013","86.5046","0.001","81.1991","0.0009","88.269","0.0009","983.171","0.019","120","2","120","2","","","","","","","","7","P -1","-P 1","2","4","","","- C12 H10 Ag2 F6 N2 O8 S2 -","- C12 H10 Ag2 F6 N2 O8 S2 -","- C24 H20 Ag4 F12 N4 O16 S4 -","2","1","","Puttreddy, Rakesh; Steel, Peter J.","Pyridine N-oxide: a hyperdentate argentophile","CrystEngComm","2014","16","4","556","","10.1039/c3ce42030b","","","0.71073","MoKα","","0.0239","0.0206","","","0.0476","0.05","","","","","","1.095","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213605","7.5719","0.0004","7.8718","0.0004","9.8803","0.0006","104.448","0.005","108.242","0.005","96.225","0.004","530.37","0.06","100.01","0.1","100.01","0.1","","","","","","","","5","P 1","P 1","1","","","","- C20 H23 N3 O6 S2 -","- C20 H23 N3 O6 S2 -","- C20 H23 N3 O6 S2 -","1","1","","Dai, Yiqiang; Tan, Jifeng; Ye, Ning; Yang, Zhou","Synthesis and crystal growth of thienyl-substituted pyridinium derivatives for second-order nonlinear optics","CrystEngComm","2014","16","4","636","","10.1039/c3ce41938j","","","0.7107","MoKα","","0.0285","0.0274","","","0.0678","0.0687","","","","","","1.032","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213606","8.765","0.003","10.24","0.004","12.354","0.005","103.59","0.005","104.227","0.006","91.636","0.004","1040.3","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H26 N2 O3 S2 -","- C22 H26 N2 O3 S2 -","- C44 H52 N4 O6 S4 -","2","1","","Dai, Yiqiang; Tan, Jifeng; Ye, Ning; Yang, Zhou","Synthesis and crystal growth of thienyl-substituted pyridinium derivatives for second-order nonlinear optics","CrystEngComm","2014","16","4","636","","10.1039/c3ce41938j","","","0.71073","MoKα","","0.0606","0.0558","","","0.135","0.1383","","","","","","1.152","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213607","12.0822","0.0008","23.676","0.0016","29.4806","0.0019","90","","90","","90","","8433.2","1","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C37 H28 N4 O4 Zn -","- C37 H28 N4 O4 Zn -","- C296 H224 N32 O32 Zn8 -","8","1","","Meng, Fandian; Qin, Ling; Zhang, Mingdao; Zheng, Hegen","Two pairs of isomorphism and two 3D metal‒organic frameworks based on a star-like ligand tri(4-pyridylphenyl)amine","CrystEngComm","2014","16","4","698","","10.1039/c3ce41694a","","","0.71073","MoKα","","0.0961","0.0707","","","0.1843","0.1966","","","","","","1.152","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213608","13.749","0.0012","17.0006","0.0015","13.165","0.0011","90","","93.109","0.001","90","","3072.7","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37 H26 Cd N4 O4 -","- C37 H26 Cd N4 O4 -","- C148 H104 Cd4 N16 O16 -","4","0.5","","Meng, Fandian; Qin, Ling; Zhang, Mingdao; Zheng, Hegen","Two pairs of isomorphism and two 3D metal‒organic frameworks based on a star-like ligand tri(4-pyridylphenyl)amine","CrystEngComm","2014","16","4","698","","10.1039/c3ce41694a","","","0.71073","MoKα","","0.0539","0.0446","","","0.1","0.1034","","","","","","0.954","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213609","11.9824","0.0013","32.547","0.004","10.7535","0.0012","90","","98.598","0.002","90","","4146.6","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H32 Cd N4 O5 -","- C47 H32 Cd N4 O5 -","- C188 H128 Cd4 N16 O20 -","4","1","","Meng, Fandian; Qin, Ling; Zhang, Mingdao; Zheng, Hegen","Two pairs of isomorphism and two 3D metal‒organic frameworks based on a star-like ligand tri(4-pyridylphenyl)amine","CrystEngComm","2014","16","4","698","","10.1039/c3ce41694a","","","0.71073","MoKα","","0.0736","0.0653","","","0.1736","0.1797","","","","","","1.074","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213610","11.6417","0.0011","32.11","0.003","10.837","0.0011","90","","98.525","0.002","90","","4006.3","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H32 Co N4 O5 -","- C47 H32 Co N4 O5 -","- C188 H128 Co4 N16 O20 -","4","1","","Meng, Fandian; Qin, Ling; Zhang, Mingdao; Zheng, Hegen","Two pairs of isomorphism and two 3D metal‒organic frameworks based on a star-like ligand tri(4-pyridylphenyl)amine","CrystEngComm","2014","16","4","698","","10.1039/c3ce41694a","","","0.71073","MoKα","","0.0655","0.0523","","","0.1324","0.1401","","","","","","0.953","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213611","19.407","0.007","13.628","0.005","16.307","0.006","90","","90","","90","","4313","3","293","2","293","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C50 H32 F6 N4 O4 Zn -","- C50 H32 F6 N4 O4 Zn -","- C200 H128 F24 N16 O16 Zn4 -","4","0.5","","Meng, Fandian; Qin, Ling; Zhang, Mingdao; Zheng, Hegen","Two pairs of isomorphism and two 3D metal‒organic frameworks based on a star-like ligand tri(4-pyridylphenyl)amine","CrystEngComm","2014","16","4","698","","10.1039/c3ce41694a","","","0.71073","MoKα","","0.0825","0.0637","","","0.1809","0.2015","","","","","","1.084","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213612","19.414","0.004","13.605","0.002","16.216","0.003","90","","90","","90","","4283.1","1.3","296","2","296","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C50 H32 Co F6 N4 O4 -","- C50 H32 Co F6 N4 O4 -","- C200 H128 Co4 F24 N16 O16 -","4","0.5","","Meng, Fandian; Qin, Ling; Zhang, Mingdao; Zheng, Hegen","Two pairs of isomorphism and two 3D metal‒organic frameworks based on a star-like ligand tri(4-pyridylphenyl)amine","CrystEngComm","2014","16","4","698","","10.1039/c3ce41694a","","","0.71073","MoKα","","0.079","0.0454","","","0.1107","0.1246","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213613","17.6223","0.0008","6.783","0.0005","11.4011","0.0005","90","","90","","90","","1362.8","0.13","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C10 H15 N O8 S -","- C10 H15 N O8 S -","- C40 H60 N4 O32 S4 -","4","0.5","","Nowak, Anna M.; Kurc, Teresa; Janczak, Jan; Videnova-Adrabinska, Veneta","Synthesis and structural analysis of alkylammonium sulfoisophthalates: cation size and geometry effects on the hydrogen bonded network","CrystEngComm","2014","16","4","591","","10.1039/c3ce41526k","","","0.71073","MoKα","","0.1686","0.0621","","","0.0933","0.1153","","","","","","1.006","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213614","12.235","0.002","8.073","0.001","15.736","0.003","90","","105.62","0.01","90","","1496.9","0.4","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H17 N O7 S -","- C12 H17 N O7 S -","- C48 H68 N4 O28 S4 -","4","1","","Nowak, Anna M.; Kurc, Teresa; Janczak, Jan; Videnova-Adrabinska, Veneta","Synthesis and structural analysis of alkylammonium sulfoisophthalates: cation size and geometry effects on the hydrogen bonded network","CrystEngComm","2014","16","4","591","","10.1039/c3ce41526k","","","0.71073","MoKα","","0.0521","0.0347","","","0.0968","0.1202","","","","","","1.013","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213615","13.1122","0.0003","9.5655","0.0002","14.8057","0.0005","90","","105.892","0.003","90","","1786.03","0.09","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H23 N O8 S -","- C14 H23 N O8 S -","- C56 H92 N4 O32 S4 -","4","1","","Nowak, Anna M.; Kurc, Teresa; Janczak, Jan; Videnova-Adrabinska, Veneta","Synthesis and structural analysis of alkylammonium sulfoisophthalates: cation size and geometry effects on the hydrogen bonded network","CrystEngComm","2014","16","4","591","","10.1039/c3ce41526k","","","0.71073","MoKα","","0.0825","0.0377","","","0.0722","0.098","","","","","","1.001","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213616","11.9085","0.0014","17.017","0.002","17.936","0.002","74.992","0.002","90.255","0.002","88.732","0.002","3509.6","0.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H42 Cu7 N14 Nd3 O22 -","- C58 H42 Cu7 N14 Nd3 O22 -","- C116 H84 Cu14 N28 Nd6 O44 -","2","1","","Ma, Ying-Zhao; Zhang, Li-Min; Peng, Guo; Zhao, Chong-Jian; Dong, Ruo-Ting; Yang, Cheng-Feng; Deng, Hong","A series of three-dimensional 3d‒4f cyanide heterometallic coordination polymers: synthesis, crystal structure, photoluminescent and magnetic properties","CrystEngComm","2014","16","4","667","","10.1039/c3ce42025f","","","0.71073","MoKα","","0.071","0.0454","","","0.0783","0.0867","","","","","","1.082","","","","has coordinates,has disorder","180467","2020-10-21","18:00:00",""
"7213617","11.8797","0.0008","17.3366","0.0012","17.9107","0.0013","74.332","0.001","88.418","0.001","86.236","0.001","3543.9","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H44 Cu7 Eu3 N14 O23 -","- C58 H44 Cu7 Eu3 N14 O23 -","- C116 H88 Cu14 Eu6 N28 O46 -","2","1","","Ma, Ying-Zhao; Zhang, Li-Min; Peng, Guo; Zhao, Chong-Jian; Dong, Ruo-Ting; Yang, Cheng-Feng; Deng, Hong","A series of three-dimensional 3d‒4f cyanide heterometallic coordination polymers: synthesis, crystal structure, photoluminescent and magnetic properties","CrystEngComm","2014","16","4","667","","10.1039/c3ce42025f","","","0.71073","MoKα","","0.0433","0.0343","","","0.0792","0.084","","","","","","1.019","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213618","11.8653","0.0011","17.36","0.0016","17.9132","0.0016","74.368","0.001","88.417","0.001","86.158","0.001","3545.2","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H44 Cu7 Gd3 N14 O23 -","- C58 H44 Cu7 Gd3 N14 O23 -","- C116 H88 Cu14 Gd6 N28 O46 -","2","1","","Ma, Ying-Zhao; Zhang, Li-Min; Peng, Guo; Zhao, Chong-Jian; Dong, Ruo-Ting; Yang, Cheng-Feng; Deng, Hong","A series of three-dimensional 3d‒4f cyanide heterometallic coordination polymers: synthesis, crystal structure, photoluminescent and magnetic properties","CrystEngComm","2014","16","4","667","","10.1039/c3ce42025f","","","0.71073","MoKα","","0.0457","0.036","","","0.0843","0.0896","","","","","","1.05","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213619","11.8612","0.0004","17.3255","0.0005","17.9096","0.0005","74.402","0.002","88.414","0.002","86.095","0.002","3536.5","0.19","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H44 Cu7 N14 O23 Tb3 -","- C58 H44 Cu7 N14 O23 Tb3 -","- C116 H88 Cu14 N28 O46 Tb6 -","2","1","","Ma, Ying-Zhao; Zhang, Li-Min; Peng, Guo; Zhao, Chong-Jian; Dong, Ruo-Ting; Yang, Cheng-Feng; Deng, Hong","A series of three-dimensional 3d‒4f cyanide heterometallic coordination polymers: synthesis, crystal structure, photoluminescent and magnetic properties","CrystEngComm","2014","16","4","667","","10.1039/c3ce42025f","","","0.71073","MoKα","","0.0377","0.0277","","","0.056","0.0601","","","","","","0.993","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213620","11.83","0.0008","17.3115","0.0011","17.8851","0.0012","74.425","0.001","88.424","0.001","86.063","0.001","3519.8","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H44 Cu7 Dy3 N14 O23 -","- C58 H44 Cu7 Dy3 N14 O23 -","- C116 H88 Cu14 Dy6 N28 O46 -","2","1","","Ma, Ying-Zhao; Zhang, Li-Min; Peng, Guo; Zhao, Chong-Jian; Dong, Ruo-Ting; Yang, Cheng-Feng; Deng, Hong","A series of three-dimensional 3d‒4f cyanide heterometallic coordination polymers: synthesis, crystal structure, photoluminescent and magnetic properties","CrystEngComm","2014","16","4","667","","10.1039/c3ce42025f","","","0.71073","MoKα","","0.0533","0.0389","","","0.0796","0.0867","","","","","","1.078","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213621","9.896","0.002","16.21","0.004","18.443","0.004","92.002","0.003","103.58","0.003","92.51","0.003","2869.9","1.1","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C89 H88 Cl6 Cu13 N19 O44 Tb4 -","- C89 H88 Cl6 Cu13.001 N19 O44 Tb4 -","- C89 H88 Cl6 Cu13.001 N19 O44 Tb4 -","1","0.5","","Ma, Ying-Zhao; Zhang, Li-Min; Peng, Guo; Zhao, Chong-Jian; Dong, Ruo-Ting; Yang, Cheng-Feng; Deng, Hong","A series of three-dimensional 3d‒4f cyanide heterometallic coordination polymers: synthesis, crystal structure, photoluminescent and magnetic properties","CrystEngComm","2014","16","4","667","","10.1039/c3ce42025f","","","0.71073","MoKα","","0.0647","0.0462","","","0.0844","0.0911","","","","","","1.09","","","","has coordinates,has disorder","180467","2020-10-21","18:00:00",""
"7213622","9.914","0.002","16.143","0.003","18.407","0.004","92.009","0.002","103.583","0.002","91.941","0.002","2859","1","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C89 H88 Cl6 Cu13 Dy4 N19 O44 -","- C89 H88 Cl6 Cu13 Dy4 N19 O44 -","- C89 H88 Cl6 Cu13 Dy4 N19 O44 -","1","0.5","","Ma, Ying-Zhao; Zhang, Li-Min; Peng, Guo; Zhao, Chong-Jian; Dong, Ruo-Ting; Yang, Cheng-Feng; Deng, Hong","A series of three-dimensional 3d‒4f cyanide heterometallic coordination polymers: synthesis, crystal structure, photoluminescent and magnetic properties","CrystEngComm","2014","16","4","667","","10.1039/c3ce42025f","","","0.71073","MoKα","","0.0638","0.0463","","","0.1039","0.1133","","","","","","1.082","","","","has coordinates,has disorder","180467","2020-10-21","18:00:00",""
"7213623","37.632","0.004","7.7785","0.0007","17.7721","0.0017","90","","97.212","0.001","90","","5161.1","0.9","296","2","296","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C40 H26 Cu5 F5 N10 O17 S Tb4 -","- C40 H26 Cu5 F5 N10 O17 S Tb4 -","- C160 H104 Cu20 F20 N40 O68 S4 Tb16 -","4","0.5","","Ma, Ying-Zhao; Zhang, Li-Min; Peng, Guo; Zhao, Chong-Jian; Dong, Ruo-Ting; Yang, Cheng-Feng; Deng, Hong","A series of three-dimensional 3d‒4f cyanide heterometallic coordination polymers: synthesis, crystal structure, photoluminescent and magnetic properties","CrystEngComm","2014","16","4","667","","10.1039/c3ce42025f","","","0.71073","MoKα","","0.0353","0.0293","","","0.0686","0.0718","","","","","","1.041","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213624","37.632","0.004","7.7785","0.0007","17.7721","0.0017","90","","97.212","0.001","90","","5161.1","0.9","296","2","296","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C40 H26 Cu5 Dy4 F5 N10 O17 S -","- C40 H26 Cu5 Dy4 F5 N10 O17 S -","- C160 H104 Cu20 Dy16 F20 N40 O68 S4 -","4","0.5","","Ma, Ying-Zhao; Zhang, Li-Min; Peng, Guo; Zhao, Chong-Jian; Dong, Ruo-Ting; Yang, Cheng-Feng; Deng, Hong","A series of three-dimensional 3d‒4f cyanide heterometallic coordination polymers: synthesis, crystal structure, photoluminescent and magnetic properties","CrystEngComm","2014","16","4","667","","10.1039/c3ce42025f","","","0.71073","MoKα","","0.0417","0.036","","","0.0901","0.0948","","","","","","1.033","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213625","11.7096","0.0009","12.7197","0.001","18.5102","0.0015","108.956","0.001","95.649","0.001","97.916","0.001","2552.3","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C87 H68 Cu9 N19 O38 Tb6 -","- C87 H68 Cu9 N19 O38 Tb6 -","- C87 H68 Cu9 N19 O38 Tb6 -","1","0.5","","Ma, Ying-Zhao; Zhang, Li-Min; Peng, Guo; Zhao, Chong-Jian; Dong, Ruo-Ting; Yang, Cheng-Feng; Deng, Hong","A series of three-dimensional 3d‒4f cyanide heterometallic coordination polymers: synthesis, crystal structure, photoluminescent and magnetic properties","CrystEngComm","2014","16","4","667","","10.1039/c3ce42025f","","","0.71073","MoKα","","0.0414","0.032","","","0.072","0.0767","","","","","","1.05","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213626","11.7096","0.0009","12.7197","0.001","18.5102","0.0015","108.956","0.001","95.649","0.001","97.916","0.001","2552.3","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C87 H68 Cu9 Dy6 N19 O38 -","- C87 H68 Cu9 Dy6 N19 O38 -","- C87 H68 Cu9 Dy6 N19 O38 -","1","0.5","","Ma, Ying-Zhao; Zhang, Li-Min; Peng, Guo; Zhao, Chong-Jian; Dong, Ruo-Ting; Yang, Cheng-Feng; Deng, Hong","A series of three-dimensional 3d‒4f cyanide heterometallic coordination polymers: synthesis, crystal structure, photoluminescent and magnetic properties","CrystEngComm","2014","16","4","667","","10.1039/c3ce42025f","","","0.71073","MoKα","","0.0469","0.0354","","","0.0786","0.0848","","","","","","1.03","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213627","17.8782","0.001","30.743","0.0018","9.0004","0.0005","90","","104.069","0.001","90","","4798.5","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H31 Cu5 N10 O16 Tb2 -","- C42 H31 Cu5 N10 O16 Tb2 -","- C168 H124 Cu20 N40 O64 Tb8 -","4","1","","Ma, Ying-Zhao; Zhang, Li-Min; Peng, Guo; Zhao, Chong-Jian; Dong, Ruo-Ting; Yang, Cheng-Feng; Deng, Hong","A series of three-dimensional 3d‒4f cyanide heterometallic coordination polymers: synthesis, crystal structure, photoluminescent and magnetic properties","CrystEngComm","2014","16","4","667","","10.1039/c3ce42025f","","","0.71073","MoKα","","0.0385","0.0274","","","0.0539","0.0579","","","","","","1.034","","","","has coordinates,has disorder","180467","2020-10-21","18:00:00",""
"7213628","17.857","0.004","30.693","0.007","8.995","0.002","90","","104.064","0.003","90","","4782.2","1.9","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H31 Cu5 Dy2 N10 O16 -","- C42 H31 Cu5 Dy2 N10 O16 -","- C168 H124 Cu20 Dy8 N40 O64 -","4","1","","Ma, Ying-Zhao; Zhang, Li-Min; Peng, Guo; Zhao, Chong-Jian; Dong, Ruo-Ting; Yang, Cheng-Feng; Deng, Hong","A series of three-dimensional 3d‒4f cyanide heterometallic coordination polymers: synthesis, crystal structure, photoluminescent and magnetic properties","CrystEngComm","2014","16","4","667","","10.1039/c3ce42025f","","","0.71073","MoKα","","0.0551","0.0413","","","0.0819","0.0873","","","","","","1.077","","","","has coordinates,has disorder","180467","2020-10-21","18:00:00",""
"7213629","10.5187","0.0003","9.635","0.0003","15.331","0.0004","90","","102.261","0.002","90","","1518.32","0.08","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 N14 Ni O4 S2 -","- C28 H20 N14 Ni O4 S2 -","- C56 H40 N28 Ni2 O8 S4 -","2","0.5","","Saha, Sandeepta; Sasmal, Ashok; Pilet, Guillaume; Bauzá, Antonio; Frontera, Antonio; Mitra, Samiran","An unusual nitroso⋯nitroso interaction in the coordination polymer structures of Ni(ii) and Co(ii) complexes with the α,ω-bis(benzotriazoloxy)alkane system","CrystEngComm","2014","16","4","654","","10.1039/c3ce41765d","","","0.71073","MoKα","","0.063","0.0393","","","0.0797","0.0861","","","","","","1.062","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213630","9.6417","0.0006","10.264","0.0006","11.8286","0.0006","66.695","0.006","67.466","0.005","64.424","0.006","937.31","0.11","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H28 N14 Ni O4 S2 -","- C32 H28 N14 Ni O4 S2 -","- C32 H28 N14 Ni O4 S2 -","1","0.5","","Saha, Sandeepta; Sasmal, Ashok; Pilet, Guillaume; Bauzá, Antonio; Frontera, Antonio; Mitra, Samiran","An unusual nitroso⋯nitroso interaction in the coordination polymer structures of Ni(ii) and Co(ii) complexes with the α,ω-bis(benzotriazoloxy)alkane system","CrystEngComm","2014","16","4","654","","10.1039/c3ce41765d","","","0.71073","MoKα","","0.0542","0.0398","","0.0619","0.0486","0.046","","","","","","1.0813","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213631","10.9405","0.0003","25.4462","0.0006","13.6306","0.0004","90","","95.718","0.002","90","","3775.8","0.18","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H32 Co N14 O4 S2 -","- C34 H32 Co N14 O4 S2 -","- C136 H128 Co4 N56 O16 S8 -","4","0.5","","Saha, Sandeepta; Sasmal, Ashok; Pilet, Guillaume; Bauzá, Antonio; Frontera, Antonio; Mitra, Samiran","An unusual nitroso⋯nitroso interaction in the coordination polymer structures of Ni(ii) and Co(ii) complexes with the α,ω-bis(benzotriazoloxy)alkane system","CrystEngComm","2014","16","4","654","","10.1039/c3ce41765d","","","0.71073","MoKα","","0.061","0.0485","","0.0526","0.0505","0.0503","","","","","","1.0977","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213632","8.9041","0.0008","11.5928","0.0007","14.2517","0.001","71.388","0.006","81.39","0.007","88.826","0.006","1377.88","0.19","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C17 H6 Ag5 F12 N3 O9 -","- C17 H6 Ag5 F12 N3 O9 -","- C34 H12 Ag10 F24 N6 O18 -","2","1","","Li, Bo; Huang, Ren-Wu; Yao, Hong-Chang; Zang, Shuang-Quan; Mak, Thomas C. W.","Silver(i)‒organic frameworks assembled with flexible supramolecular synthons with a pendant ethynide arm attached to the heteroaryl skeleton","CrystEngComm","2014","16","4","723","","10.1039/c3ce41752b","","","0.71073","MoKα","","0.062","0.0511","","","0.1309","0.138","","","","","","1.065","","","","has coordinates,has disorder","180467","2020-10-21","18:00:00",""
"7213633","16.0991","0.0016","8.8039","0.001","23.399","0.003","90","","120.917","0.007","90","","2845.2","0.6","296","","296","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C17 H8 Ag5 F12 N3 O10 -","- C17 H8 Ag5 F12 N3 O10 -","- C68 H32 Ag20 F48 N12 O40 -","4","1","","Li, Bo; Huang, Ren-Wu; Yao, Hong-Chang; Zang, Shuang-Quan; Mak, Thomas C. W.","Silver(i)‒organic frameworks assembled with flexible supramolecular synthons with a pendant ethynide arm attached to the heteroaryl skeleton","CrystEngComm","2014","16","4","723","","10.1039/c3ce41752b","","","0.71073","MoKα","","0.151","0.0884","","","0.1675","0.1955","","","","","","1.006","","","","has coordinates,has disorder","180467","2020-10-21","18:00:00",""
"7213634","8.0193","0.0016","24.904","0.005","26.491","0.005","90","","93.01","0.03","90","","5283.3","1.8","296","","296","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C83 H46 Ag14 F30 N4 O27 S4 -","- C83 H46 Ag14 F30 N4 O27 S4 -","- C166 H92 Ag28 F60 N8 O54 S8 -","2","0.5","","Li, Bo; Huang, Ren-Wu; Yao, Hong-Chang; Zang, Shuang-Quan; Mak, Thomas C. W.","Silver(i)‒organic frameworks assembled with flexible supramolecular synthons with a pendant ethynide arm attached to the heteroaryl skeleton","CrystEngComm","2014","16","4","723","","10.1039/c3ce41752b","","","0.71073","MoKα","","0.117","0.0988","","","0.2915","0.3087","","","","","","1.116","","","","has coordinates,has disorder","180467","2020-10-21","18:00:00",""
"7213635","15.346","0.003","24.558","0.005","22.739","0.005","90","","109.46","0.03","90","","8080","3","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C70 H58 Ag9 N9 O22 S7 -","- C70 H58 Ag9 N9 O22 S7 -","- C280 H232 Ag36 N36 O88 S28 -","4","1","","Li, Bo; Huang, Ren-Wu; Yao, Hong-Chang; Zang, Shuang-Quan; Mak, Thomas C. W.","Silver(i)‒organic frameworks assembled with flexible supramolecular synthons with a pendant ethynide arm attached to the heteroaryl skeleton","CrystEngComm","2014","16","4","723","","10.1039/c3ce41752b","","","0.71073","MoKα","","0.0827","0.0763","","","0.2095","0.2161","","","","","","1.081","","","","has coordinates,has disorder","180467","2020-10-21","18:00:00",""
"7213636","7.5491","0.0005","8.7078","0.0005","10.824","0.0007","106.654","0.001","102.66","0.001","94.38","0.001","657.69","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H12 Eu N O10 -","- C9 H12 Eu N O10 -","- C18 H24 Eu2 N2 O20 -","2","1","","Feng, Xun; Chen, Jun-Ling; Wang, Li-Ya; Xie, Shi-Yu; Yang, Song; Huo, Su-Zhen; Ng, Seik-Weng","A series of homonuclear lanthanide complexes incorporating isonicotinic based carboxylate tectonic and oxalate coligand: structures, luminescent and magnetic properties","CrystEngComm","2014","16","7","1334","","10.1039/c3ce41674g","","","0.71073","MoKα","","0.015","0.0143","","","0.0361","0.0365","","","","","","1.046","","","","has coordinates,has disorder","194002","2020-10-21","18:00:00",""
"7213637","7.569","","8.766","","10.893","","106.6","","102.73","","94.14","","668.503","","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H12 Gd N O10 -","- C9 H10 Gd N O10 -","- C18 H20 Gd2 N2 O20 -","2","1","","Feng, Xun; Chen, Jun-Ling; Wang, Li-Ya; Xie, Shi-Yu; Yang, Song; Huo, Su-Zhen; Ng, Seik-Weng","A series of homonuclear lanthanide complexes incorporating isonicotinic based carboxylate tectonic and oxalate coligand: structures, luminescent and magnetic properties","CrystEngComm","2014","16","7","1334","","10.1039/c3ce41674g","","","0.71073","MoKα","","0.032","0.0316","","","0.09","0.0903","","","","","","1.106","","","","has coordinates,has disorder","180467","2020-10-21","18:00:00",""
"7213638","7.481","0.003","8.648","0.004","10.771","0.004","106.586","0.004","102.53","0.004","94.388","0.004","644.8","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H10 N O9 Tb -","- C9 H10 N O9 Tb -","- C18 H20 N2 O18 Tb2 -","2","1","","Feng, Xun; Chen, Jun-Ling; Wang, Li-Ya; Xie, Shi-Yu; Yang, Song; Huo, Su-Zhen; Ng, Seik-Weng","A series of homonuclear lanthanide complexes incorporating isonicotinic based carboxylate tectonic and oxalate coligand: structures, luminescent and magnetic properties","CrystEngComm","2014","16","7","1334","","10.1039/c3ce41674g","","","0.71073","MoKα","","0.0398","0.0383","","","0.1014","0.1027","","","","","","1.041","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213639","7.4292","0.0009","8.6094","0.0011","10.7126","0.0013","106.552","0.001","102.334","0.001","94.421","0.001","634.64","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 Ho2 N2 O18 -","- C18 H20 Ho2 N2 O18 -","- C18 H20 Ho2 N2 O18 -","1","0.5","","Feng, Xun; Chen, Jun-Ling; Wang, Li-Ya; Xie, Shi-Yu; Yang, Song; Huo, Su-Zhen; Ng, Seik-Weng","A series of homonuclear lanthanide complexes incorporating isonicotinic based carboxylate tectonic and oxalate coligand: structures, luminescent and magnetic properties","CrystEngComm","2014","16","7","1334","","10.1039/c3ce41674g","","","0.71073","MoKα","","0.0685","0.0602","","","0.1573","0.1652","","","","","","1.055","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213640","7.5714","0.001","8.7324","0.0012","10.8446","0.0015","106.671","0.001","102.674","0.001","94.37","0.001","662.67","0.16","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H10 N O9 Sm -","- C9 H10 N O9 Sm -","- C18 H20 N2 O18 Sm2 -","2","1","","Feng, Xun; Chen, Jun-Ling; Wang, Li-Ya; Xie, Shi-Yu; Yang, Song; Huo, Su-Zhen; Ng, Seik-Weng","A series of homonuclear lanthanide complexes incorporating isonicotinic based carboxylate tectonic and oxalate coligand: structures, luminescent and magnetic properties","CrystEngComm","2014","16","7","1334","","10.1039/c3ce41674g","","","0.71073","MoKα","","0.0152","0.015","","","0.0388","0.0389","","","","","","1.071","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213641","7.2339","0.0004","22.332","0.0014","23.4396","0.0013","90","","90","","90","","3786.6","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H30 Ba Cd N O14 -","- C32 H30 Ba Cd N O14 -","- C128 H120 Ba4 Cd4 N4 O56 -","4","1","","Zhang, Huabin; Lin, Ping; Shan, Xiaochen; Han, Liwei; Du, Shaowu","Absolute helicity induction: chiral information transfer from metal centre to the framework","CrystEngComm","2014","16","7","1245","","10.1039/c3ce42157k","","","0.71073","MoKα","","0.0381","0.0367","","","0.112","0.1142","","","","","","1.108","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7213642","7.2243","0.0006","22.315","0.002","23.376","0.002","90","","90","","90","","3768.5","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H30 Ba Cd N O14 -","- C32 H30 Ba Cd N O14 -","- C128 H120 Ba4 Cd4 N4 O56 -","4","1","","Zhang, Huabin; Lin, Ping; Shan, Xiaochen; Han, Liwei; Du, Shaowu","Absolute helicity induction: chiral information transfer from metal centre to the framework","CrystEngComm","2014","16","7","1245","","10.1039/c3ce42157k","","","0.71073","MoKα","","0.0693","0.0585","","","0.1708","0.1822","","","","","","0.927","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213643","12.1624","0.0009","13.1051","0.0013","17.8595","0.0016","106.905","0.005","94.129","0.002","97.344","0.004","2683.3","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H52 Co2 N6 O15 S2 -","- C52 H52 Co2 N6 O15 S2 -","- C104 H104 Co4 N12 O30 S4 -","2","1","","Bu, Yang; Jiang, Feilong; Zhou, Kang; Gai, Yanli; Hong, Maochun","From 3D interpenetrated polythreading to 3D non-interpenetrated polythreading: SBU modulation in a dual-ligand system","CrystEngComm","2014","16","7","1249","","10.1039/c3ce42050g","","","0.71073","MoKα","","0.0635","0.0434","","","0.1164","0.1831","","","","","","1","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213644","11.6947","0.0002","12.879","0.0003","17.9851","0.0003","82.552","0.002","71.924","0.002","72.78","0.002","2457.59","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H46 Cd2 N6 O12 S2 -","- C52 H46 Cd2 N6 O12 S2 -","- C104 H92 Cd4 N12 O24 S4 -","2","1","","Bu, Yang; Jiang, Feilong; Zhou, Kang; Gai, Yanli; Hong, Maochun","From 3D interpenetrated polythreading to 3D non-interpenetrated polythreading: SBU modulation in a dual-ligand system","CrystEngComm","2014","16","7","1249","","10.1039/c3ce42050g","","","0.71073","MoKα","","0.0294","0.024","","","0.0543","0.058","","","","","","1","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213645","11.439","0.005","14.807","0.005","19.751","0.005","82.658","0.005","86.874","0.005","76.935","0.005","3231","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H85 Dy Mn3 N6 Na O23 -","- C56 H85 Dy Mn3 N6 Na O23 -","- C112 H170 Dy2 Mn6 N12 Na2 O46 -","2","1","","Chandrasekhar, Vadapalli; Dey, Atanu; Das, Sourav; Kundu, Subrata","Syntheses and structures of a family of heterometallic pentanuclear [MnIII3LnNa] (Ln = Dy, Tb, Gd and Nd) complexes: H-bonding reduces the nuclearity from nine to five","CrystEngComm","2014","16","7","1304","","10.1039/c3ce41863d","","","0.71069","MoKα","","0.0926","0.0713","","","0.1915","0.2127","","","","","","1.052","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213646","11.455","0.005","14.841","0.005","19.776","0.005","82.715","0.005","87.032","0.005","76.958","0.005","3248","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H85 Mn3 N6 Na O23 Tb -","- C56 H85 Mn3 N6 Na O23 Tb -","- C112 H170 Mn6 N12 Na2 O46 Tb2 -","2","1","","Chandrasekhar, Vadapalli; Dey, Atanu; Das, Sourav; Kundu, Subrata","Syntheses and structures of a family of heterometallic pentanuclear [MnIII3LnNa] (Ln = Dy, Tb, Gd and Nd) complexes: H-bonding reduces the nuclearity from nine to five","CrystEngComm","2014","16","7","1304","","10.1039/c3ce41863d","","","0.71069","MoKα","","0.0716","0.0587","","","0.1536","0.1676","","","","","","1.041","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213647","11.405","0.005","14.776","0.005","19.775","0.005","82.63","0.005","86.886","0.005","76.901","0.005","3218","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H85 Gd Mn3 N6 Na O23 -","- C56 H85 Gd Mn3 N6 Na O23 -","- C112 H170 Gd2 Mn6 N12 Na2 O46 -","2","1","","Chandrasekhar, Vadapalli; Dey, Atanu; Das, Sourav; Kundu, Subrata","Syntheses and structures of a family of heterometallic pentanuclear [MnIII3LnNa] (Ln = Dy, Tb, Gd and Nd) complexes: H-bonding reduces the nuclearity from nine to five","CrystEngComm","2014","16","7","1304","","10.1039/c3ce41863d","","","0.71069","MoKα","","0.1473","0.0966","","","0.242","0.2829","","","","","","1.039","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213648","11.45","0.005","14.85","0.005","19.884","0.005","82.488","0.005","86.821","0.005","76.78","0.005","3262","2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H85 Mn3 N6 Na Nd O23 -","- C56 H85 Mn3 N6 Na Nd O23 -","- C112 H170 Mn6 N12 Na2 Nd2 O46 -","2","1","","Chandrasekhar, Vadapalli; Dey, Atanu; Das, Sourav; Kundu, Subrata","Syntheses and structures of a family of heterometallic pentanuclear [MnIII3LnNa] (Ln = Dy, Tb, Gd and Nd) complexes: H-bonding reduces the nuclearity from nine to five","CrystEngComm","2014","16","7","1304","","10.1039/c3ce41863d","","","0.71069","MoKα","","0.1275","0.0818","","","0.2346","0.2757","","","","","","1.102","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213649","36.831","0.003","6.1181","0.0004","12.2456","0.0012","90","","99.224","0.007","90","","2723.7","0.4","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C34 H32 N2 -","- C34 H32 N2 -","- C136 H128 N8 -","4","0.5","","Bastien, Guillaume; Lemouchi, Cyprien; Allain, Magali; Wzietek, Pawel; Rodríguez-Fortea, Antonio; Canadell, Enric; Iliopoulos, Konstantinos; Gindre, Denis; Chrysos, Michael; Batail, Patrick","Changing gears to neutral in a polymorph of one-dimensional arrays of cogwheel-like pairs of molecular rotors","CrystEngComm","2014","16","7","1241","","10.1039/c3ce42054j","","x-ray","0.71073","MoKα","","0.1565","0.059","","","0.1181","0.1512","","","","","","1.029","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213650","11.8637","0.0016","13.8353","0.0018","14.0619","0.0018","111.781","0.001","113.229","0.001","92.745","0.002","1917.9","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H36 N6 Ni O14 -","- C40 H36 N6 Ni O14 -","- C80 H72 N12 Ni2 O28 -","2","1","","Eshtiagh-Hosseini, Hossein; Mirzaei, Masoud; Zarghami, Sara; Bauzá, Antonio; Frontera, Antonio; Mague, Joel T.; Habibi, Morteza; Shamsipur, Mojtaba","Crystal engineering with coordination compounds of 2,6-dicarboxy-4-hydroxypyridine and 9-aminoacridine fragments driven by different nature of the face-to-face π⋯π stacking","CrystEngComm","2014","16","7","1359","","10.1039/c3ce41730a","","","0.71073","MoKα","","0.0487","0.0416","","","0.104","0.1105","","","","","","1.031","","","","has coordinates,has disorder","180467","2020-10-21","18:00:00",""
"7213651","10.574","0.003","23.672","0.006","14.903","0.004","90","","104.379","0.003","90","","3613.5","1.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H34 Co N6 O13 -","- C40 H34 Co N6 O13 -","- C160 H136 Co4 N24 O52 -","4","1","","Eshtiagh-Hosseini, Hossein; Mirzaei, Masoud; Zarghami, Sara; Bauzá, Antonio; Frontera, Antonio; Mague, Joel T.; Habibi, Morteza; Shamsipur, Mojtaba","Crystal engineering with coordination compounds of 2,6-dicarboxy-4-hydroxypyridine and 9-aminoacridine fragments driven by different nature of the face-to-face π⋯π stacking","CrystEngComm","2014","16","7","1359","","10.1039/c3ce41730a","","","0.71073","MoKα","","0.0485","0.035","","","0.0838","0.0924","","","","","","1.023","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213652","7.8867","0.0012","11.0204","0.0017","16.859","0.003","84.453","0.002","89.358","0.002","75.087","0.002","1409.2","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H21 Cr N4 O14 -","- C27 H20.962 Cr N4 O14 -","- C54 H41.924 Cr2 N8 O28 -","2","1","","Eshtiagh-Hosseini, Hossein; Mirzaei, Masoud; Zarghami, Sara; Bauzá, Antonio; Frontera, Antonio; Mague, Joel T.; Habibi, Morteza; Shamsipur, Mojtaba","Crystal engineering with coordination compounds of 2,6-dicarboxy-4-hydroxypyridine and 9-aminoacridine fragments driven by different nature of the face-to-face π⋯π stacking","CrystEngComm","2014","16","7","1359","","10.1039/c3ce41730a","","","0.71073","MoKα","","0.0666","0.0573","","","0.1532","0.163","","","","","","1.058","","","","has coordinates,has disorder","180467","2020-10-21","18:00:00",""
"7213653","12.058","0.0012","13.9067","0.0014","14.0032","0.0015","111.967","0.001","115.126","0.001","94.003","0.002","1897.1","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H36 Cd N6 O14 -","- C40 H36 Cd N6 O14 -","- C80 H72 Cd2 N12 O28 -","2","1","","Eshtiagh-Hosseini, Hossein; Mirzaei, Masoud; Zarghami, Sara; Bauzá, Antonio; Frontera, Antonio; Mague, Joel T.; Habibi, Morteza; Shamsipur, Mojtaba","Crystal engineering with coordination compounds of 2,6-dicarboxy-4-hydroxypyridine and 9-aminoacridine fragments driven by different nature of the face-to-face π⋯π stacking","CrystEngComm","2014","16","7","1359","","10.1039/c3ce41730a","","","0.71073","MoKα","","0.0337","0.0318","","","0.086","0.0874","","","","","","1.084","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213654","11.2796","0.0005","16.9872","0.0008","33.1264","0.0017","90","","92.11","0.004","90","","6343","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Co4(N3)4(PTA)3(4-CV)2]n.2nH2O","","","- C60 H44 Co4 N18 O14 -","- C60 H40 Co4 N18 O14 -","- C240 H160 Co16 N72 O56 -","4","0.5","","Wang, Shuai-Hua; Zheng, Fa-Kun; Wu, Mei-Feng; Liu, Zhi-Fa; Chen, Jun; Xiao, Yu; Li, Rong; Guo, Guo-Cong","Assembly of Co(ii)/Cu(ii)‒azido polynuclear polymers: structural diversity and magnetic behavior","CrystEngComm","2014","16","10","2009","","10.1039/c3ce42130a","","","0.71073","MoKα","","0.0566","0.0494","","","0.1519","0.1584","","","","","","1.063","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213655","11.2319","0.0009","17.004","0.0013","33.097","0.003","90","","95.524","0.006","90","","6291.7","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Co4(N3)4(PTA)3(3-CV)2]n.nH2O","","","- C60 H42 Co4 N18 O13 -","- C60 H40 Co4 N18 O13 -","- C240 H160 Co16 N72 O52 -","4","0.5","","Wang, Shuai-Hua; Zheng, Fa-Kun; Wu, Mei-Feng; Liu, Zhi-Fa; Chen, Jun; Xiao, Yu; Li, Rong; Guo, Guo-Cong","Assembly of Co(ii)/Cu(ii)‒azido polynuclear polymers: structural diversity and magnetic behavior","CrystEngComm","2014","16","10","2009","","10.1039/c3ce42130a","","","0.71073","MoKα","","0.0706","0.0566","","","0.1163","0.1234","","","","","","1.1","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213656","8.6131","0.0009","13.4894","0.0013","22.967","0.003","90","","97.547","0.007","90","","2645.3","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","[Cu6(N3)14(4-CV)2]n","","","- C36 H28 Cu6 N48 -","- C36 H28 Cu6 N48 -","- C72 H56 Cu12 N96 -","2","0.5","","Wang, Shuai-Hua; Zheng, Fa-Kun; Wu, Mei-Feng; Liu, Zhi-Fa; Chen, Jun; Xiao, Yu; Li, Rong; Guo, Guo-Cong","Assembly of Co(ii)/Cu(ii)‒azido polynuclear polymers: structural diversity and magnetic behavior","CrystEngComm","2014","16","10","2009","","10.1039/c3ce42130a","","","0.71073","MoKα","","0.0774","0.0637","","","0.1589","0.1685","","","","","","1.054","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213657","8.3731","0.0017","8.4927","0.0017","13.562","0.003","90.66","0.03","98.89","0.03","110.09","0.03","892.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H12 Mn2 N8 O7 -","- C13 H12 Mn2 N8 O7 -","- C26 H24 Mn4 N16 O14 -","2","1","","Wang, Lei; Zhao, Rui; Xu, Long-Yang; Liu, Ting; Zhao, Jiong-Peng; Wang, Shi-Ming; Liu, Fu-Chen","The synthesis, structure, and magnetic properties of two novel manganese(ii) azido/formate coordination polymers with isonicotinic acid N-oxide as a coligand","CrystEngComm","2014","16","10","2070","","10.1039/c3ce42158a","","","0.71073","MoKα","","0.0661","0.0525","","","0.1121","0.1179","","","","","","1.129","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213658","24.124","0.003","24.124","0.003","7.4767","0.0015","90","","90","","120","","3768.2","1","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C7 H5 Mn N O5 -","- C7 H5 Mn N O5 -","- C126 H90 Mn18 N18 O90 -","18","1","","Wang, Lei; Zhao, Rui; Xu, Long-Yang; Liu, Ting; Zhao, Jiong-Peng; Wang, Shi-Ming; Liu, Fu-Chen","The synthesis, structure, and magnetic properties of two novel manganese(ii) azido/formate coordination polymers with isonicotinic acid N-oxide as a coligand","CrystEngComm","2014","16","10","2070","","10.1039/c3ce42158a","","","0.71073","MoKα","","0.0629","0.0469","","","0.0779","0.0823","","","","","","1.155","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213659","8.0959","0.0004","18.776","0.001","7.9719","0.0004","90","","111.19","0.003","90","","1129.86","0.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 Li O6 -","- C12 H11 Li O6 -","- C48 H44 Li4 O24 -","4","1","","Raja, Duraisamy Senthil; Luo, Jheng-Hong; Yeh, Chun-Ting; Jiang, Yue-Chun; Hsu, Kuei-Fang; Lin, Chia-Her","Novel alkali and alkaline earth metal coordination polymers based on 1,4-naphthalenedicarboxylic acid: synthesis, structural characterization and properties","CrystEngComm","2014","16","10","1985","","10.1039/c3ce42208a","","","0.71073","MoKα","","0.0533","0.0418","","","0.1164","0.1267","","","","","","1.042","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213660","18.2186","0.0006","18.2186","0.0006","8.688","0.0003","90","","90","","120","","2497.36","0.14","295","2","295","2","","","","","","","","5","P 65","P 65","170","","","","- C15 H13 N Na2 O5 -","- C15 H13 N Na2 O5 -","- C90 H78 N6 Na12 O30 -","6","1","","Raja, Duraisamy Senthil; Luo, Jheng-Hong; Yeh, Chun-Ting; Jiang, Yue-Chun; Hsu, Kuei-Fang; Lin, Chia-Her","Novel alkali and alkaline earth metal coordination polymers based on 1,4-naphthalenedicarboxylic acid: synthesis, structural characterization and properties","CrystEngComm","2014","16","10","1985","","10.1039/c3ce42208a","","","0.71073","MoKα","","0.0788","0.0491","","","0.1173","0.132","","","","","","1.06","","","","has coordinates","287753","2023-11-23","09:34:45",""
"7213661","14.7579","0.0002","30.9679","0.0004","11.3786","0.0002","90","","90","","90","","5200.26","0.13","295","2","295","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C24 H17 Mg2 O11 -","- C24 H17 Mg2 O11 -","- C192 H136 Mg16 O88 -","8","1","","Raja, Duraisamy Senthil; Luo, Jheng-Hong; Yeh, Chun-Ting; Jiang, Yue-Chun; Hsu, Kuei-Fang; Lin, Chia-Her","Novel alkali and alkaline earth metal coordination polymers based on 1,4-naphthalenedicarboxylic acid: synthesis, structural characterization and properties","CrystEngComm","2014","16","10","1985","","10.1039/c3ce42208a","","","0.71073","MoKα","","0.0987","0.0647","","","0.1748","0.1906","","","","","","1.052","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213662","6.7017","0.0001","14.3958","0.0003","14.9405","0.0003","90","","90","","90","","1441.4","0.05","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 Ca N O5 -","- C15 H13 Ca N O5 -","- C60 H52 Ca4 N4 O20 -","4","1","","Raja, Duraisamy Senthil; Luo, Jheng-Hong; Yeh, Chun-Ting; Jiang, Yue-Chun; Hsu, Kuei-Fang; Lin, Chia-Her","Novel alkali and alkaline earth metal coordination polymers based on 1,4-naphthalenedicarboxylic acid: synthesis, structural characterization and properties","CrystEngComm","2014","16","10","1985","","10.1039/c3ce42208a","","","0.71073","MoKα","","0.0349","0.0302","","","0.0687","0.0714","","","","","","1.024","","","","has coordinates,has disorder","180467","2020-10-21","18:00:00",""
"7213663","6.8883","0.0001","14.7074","0.0002","14.981","0.0002","90","","90","","90","","1517.71","0.04","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 N O5 Sr -","- C15 H13 N O5 Sr -","- C60 H52 N4 O20 Sr4 -","4","1","","Raja, Duraisamy Senthil; Luo, Jheng-Hong; Yeh, Chun-Ting; Jiang, Yue-Chun; Hsu, Kuei-Fang; Lin, Chia-Her","Novel alkali and alkaline earth metal coordination polymers based on 1,4-naphthalenedicarboxylic acid: synthesis, structural characterization and properties","CrystEngComm","2014","16","10","1985","","10.1039/c3ce42208a","","","0.71073","MoKα","","0.028","0.0257","","","0.0757","0.0772","","","","","","1.05","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213664","7.1269","0.0003","14.6724","0.0006","15.0027","0.0005","90","","90","","90","","1568.81","0.11","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 Ba N O5 -","- C15 H13 Ba N O5 -","- C60 H52 Ba4 N4 O20 -","4","1","","Raja, Duraisamy Senthil; Luo, Jheng-Hong; Yeh, Chun-Ting; Jiang, Yue-Chun; Hsu, Kuei-Fang; Lin, Chia-Her","Novel alkali and alkaline earth metal coordination polymers based on 1,4-naphthalenedicarboxylic acid: synthesis, structural characterization and properties","CrystEngComm","2014","16","10","1985","","10.1039/c3ce42208a","","","0.71073","MoKα","","0.0316","0.0273","","","0.0498","0.0512","","","","","","1.012","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213665","10.944","0.0003","65.6499","0.0013","11.2294","0.0003","90","","110.447","0.003","90","","7559.7","0.4","294","2","294","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C82 H50 Br6 N12 O14 -","- C82 H50 Br6 N12 O14 -","- C328 H200 Br24 N48 O56 -","4","1","","Mocilac, Pavle; Gallagher, John F.","Halogen bonding directed supramolecular assembly in bromo-substituted trezimides and tennimides","CrystEngComm","2014","16","10","1893","","10.1039/c3ce42168f","","","0.71073","MoKα","","0.1237","0.0747","","","0.1398","0.1587","","","","","","1.096","","","","has coordinates,has disorder","180467","2020-10-21","18:00:00",""
"7213666","14.0441","0.0004","19.1432","0.0003","19.1482","0.0004","90","","90","","90","","5148","0.2","294","2","294","1","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C52.8 H28.8 Br4 Cl2.4 N8 O8 -","- C52.8 H28.8 Br4 Cl2.4 N8 O8 -","- C211.2 H115.2 Br16 Cl9.6 N32 O32 -","4","0.5","","Mocilac, Pavle; Gallagher, John F.","Halogen bonding directed supramolecular assembly in bromo-substituted trezimides and tennimides","CrystEngComm","2014","16","10","1893","","10.1039/c3ce42168f","","","1.54184","CuKα","","0.0516","0.044","","","0.1154","0.1224","","","","","","1.042","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7213667","12.815","0.0006","13.6159","0.0005","25.7452","0.0011","84.442","0.003","87.666","0.004","80.07","0.004","4402.8","0.3","294","2","294","1","","","","","","","","6","P -1","-P 1","2","11-124_(26BrIO)3_2CHCl3","","","- C38 H20 Br3 Cl6 N9 O6 -","- C38 H20 Br3 Cl6 N9 O6 -","- C152 H80 Br12 Cl24 N36 O24 -","4","2","","Mocilac, Pavle; Gallagher, John F.","Halogen bonding directed supramolecular assembly in bromo-substituted trezimides and tennimides","CrystEngComm","2014","16","10","1893","","10.1039/c3ce42168f","","","0.71073","MoKα","","0.1883","0.0793","","","0.1463","0.1931","","","","","","1.012","","","","has coordinates,has disorder","180467","2020-10-21","18:00:00",""
"7213668","12.239","0.0005","13.6149","0.0005","13.6447","0.0005","100.749","0.003","99.99","0.003","95.463","0.003","2180.69","0.15","294","2","294","1","","","","","","","","6","P -1","-P 1","2","(26BrIO)3_CH2Cl2_[11-125]","","","- C38 H22 Br3 Cl4 N9 O6 -","- C38 H22 Br3 Cl4 N9 O6 -","- C76 H44 Br6 Cl8 N18 O12 -","2","1","","Mocilac, Pavle; Gallagher, John F.","Halogen bonding directed supramolecular assembly in bromo-substituted trezimides and tennimides","CrystEngComm","2014","16","10","1893","","10.1039/c3ce42168f","","","0.71073","MoKα","","0.1119","0.0667","","","0.1607","0.1867","","","","","","1.013","","","","has coordinates,has disorder","180467","2020-10-21","18:00:00",""
"7213669","10.5779","0.0003","13.2805","0.0003","40.7855","0.0013","90","","95.936","0.002","90","","5698.8","0.3","294","2","294","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C99.8 H53.8 Br8 Cl11.4 N24 O17 -","- C99.8 H53.8 Br8 Cl11.4 N24 O17 -","- C199.6 H107.6 Br16 Cl22.8 N48 O34 -","2","0.5","","Mocilac, Pavle; Gallagher, John F.","Halogen bonding directed supramolecular assembly in bromo-substituted trezimides and tennimides","CrystEngComm","2014","16","10","1893","","10.1039/c3ce42168f","","","0.71073","MoKα","","0.1177","0.0763","","","0.182","0.2053","","","","","","1.032","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7213670","15.3403","0.001","21.9052","0.001","16.9452","0.0014","90","","113.426","0.001","90","","5224.8","0.6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H26.5 Cl Co0.5 N4 O4.25 -","- C24 H24 Cl Co0.5 N4 O3.25 -","- C192 H192 Cl8 Co4 N32 O26 -","8","1","","Liu, Qing-Xiang; Bi, Yue; Zhao, Xiao-Jun; Zhao, Zhi-Xiang; Wang, Jian-Hua; Wang, Xiu-Guang","Copper(ii) and cobalt(ii) complexes based on bis-benzimidazolyl ligand with 1,2-bis(2′-ethoxy)phenyl linker: synthesis, crystal structure and conformations","CrystEngComm","2014","16","10","1950","","10.1039/c3ce40957k","","","0.71073","MoKα","","0.0785","0.0683","","","0.2349","0.2463","","","","","","1.119","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7213671","18.563","0.0009","12.6014","0.0006","19.9775","0.001","90","","90","","90","","4673.1","0.4","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H22 Cl2 Cu N4 O2 -","- C24 H22 Cl2 Cu N4 O2 -","- C192 H176 Cl16 Cu8 N32 O16 -","8","1","","Liu, Qing-Xiang; Bi, Yue; Zhao, Xiao-Jun; Zhao, Zhi-Xiang; Wang, Jian-Hua; Wang, Xiu-Guang","Copper(ii) and cobalt(ii) complexes based on bis-benzimidazolyl ligand with 1,2-bis(2′-ethoxy)phenyl linker: synthesis, crystal structure and conformations","CrystEngComm","2014","16","10","1950","","10.1039/c3ce40957k","","","0.71073","MoKα","","0.044","0.0337","","","0.0828","0.0897","","","","","","1.049","","","","has coordinates,has disorder","180467","2020-10-21","18:00:00",""
"7213672","10.3233","0.0006","10.9891","0.0006","13.3452","0.0008","79.573","0.001","85.122","0.001","75.565","0.001","1440.66","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H29 Cu N7 O9 -","- C27 H29 Cu N7 O9 -","- C54 H58 Cu2 N14 O18 -","2","1","","Liu, Qing-Xiang; Bi, Yue; Zhao, Xiao-Jun; Zhao, Zhi-Xiang; Wang, Jian-Hua; Wang, Xiu-Guang","Copper(ii) and cobalt(ii) complexes based on bis-benzimidazolyl ligand with 1,2-bis(2′-ethoxy)phenyl linker: synthesis, crystal structure and conformations","CrystEngComm","2014","16","10","1950","","10.1039/c3ce40957k","","","0.71073","MoKα","","0.0321","0.0286","","","0.0761","0.0782","","","","","","1.056","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213673","9.8299","0.0004","11.2063","0.0005","11.6827","0.0005","102.816","0.001","103.306","0.001","98.245","0.001","1195.26","0.09","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H22 Cu N4 O6 S -","- C24 H22 Cu N4 O6 S -","- C48 H44 Cu2 N8 O12 S2 -","2","1","","Liu, Qing-Xiang; Bi, Yue; Zhao, Xiao-Jun; Zhao, Zhi-Xiang; Wang, Jian-Hua; Wang, Xiu-Guang","Copper(ii) and cobalt(ii) complexes based on bis-benzimidazolyl ligand with 1,2-bis(2′-ethoxy)phenyl linker: synthesis, crystal structure and conformations","CrystEngComm","2014","16","10","1950","","10.1039/c3ce40957k","","","0.71073","MoKα","","0.0912","0.0853","","","0.2243","0.2304","","","","","","1.049","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213674","12.7947","0.0005","16.9353","0.0007","18.0105","0.0008","90","","104.74","0.001","90","","3774.1","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H40 Co N6 O8 -","- C38 H40 Co N6 O8 -","- C152 H160 Co4 N24 O32 -","4","1","","Liu, Qing-Xiang; Bi, Yue; Zhao, Xiao-Jun; Zhao, Zhi-Xiang; Wang, Jian-Hua; Wang, Xiu-Guang","Copper(ii) and cobalt(ii) complexes based on bis-benzimidazolyl ligand with 1,2-bis(2′-ethoxy)phenyl linker: synthesis, crystal structure and conformations","CrystEngComm","2014","16","10","1950","","10.1039/c3ce40957k","","","0.71073","MoKα","","0.0617","0.0456","","","0.1288","0.1424","","","","","","1.057","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213675","21.6962","0.0017","16.6659","0.0017","17.1799","0.0015","90","","102.019","0.002","90","","6075.8","0.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28.5 H33.5 Cu N4 O8.25 -","- C28.5 H30 Cu N4 O8.25 -","- C228 H240 Cu8 N32 O66 -","8","1","","Liu, Qing-Xiang; Bi, Yue; Zhao, Xiao-Jun; Zhao, Zhi-Xiang; Wang, Jian-Hua; Wang, Xiu-Guang","Copper(ii) and cobalt(ii) complexes based on bis-benzimidazolyl ligand with 1,2-bis(2′-ethoxy)phenyl linker: synthesis, crystal structure and conformations","CrystEngComm","2014","16","10","1950","","10.1039/c3ce40957k","","","0.71073","MoKα","","0.1108","0.0634","","","0.1724","0.2042","","","","","","1.054","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7213676","9.7066","0.0005","10.7611","0.0005","13.1318","0.0006","112.448","0.001","96.662","0.001","103.768","0.001","1198.16","0.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H22 Cl2 Co N4 O2 -","- C24 H22 Cl2 Co N4 O2 -","- C48 H44 Cl4 Co2 N8 O4 -","2","1","","Liu, Qing-Xiang; Bi, Yue; Zhao, Xiao-Jun; Zhao, Zhi-Xiang; Wang, Jian-Hua; Wang, Xiu-Guang","Copper(ii) and cobalt(ii) complexes based on bis-benzimidazolyl ligand with 1,2-bis(2′-ethoxy)phenyl linker: synthesis, crystal structure and conformations","CrystEngComm","2014","16","10","1950","","10.1039/c3ce40957k","","","0.71073","MoKα","","0.032","0.0283","","","0.0725","0.0748","","","","","","1.047","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213677","12.191","0.005","13.18","0.005","13.506","0.005","92.714","0.005","109.859","0.005","110.756","0.005","1873.6","1.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H43 Cu2 N16 O50 P W12 -","- C30 H22 Cu2 N16 O50 P W12 -","- C30 H22 Cu2 N16 O50 P W12 -","1","0.5","","Li, Shaobin; Ma, Huiyuan; Pang, Haijun; Zhang, Zhuanfang; Yu, Yan; Liu, Heng; Yu, Tingting","Tuning the dimension of POM-based inorganic‒organic hybrids from 3D self-penetrating framework to 1D poly-pendant chain via changing POM clusters and introducing secondary spacers","CrystEngComm","2014","16","10","2045","","10.1039/c3ce42064g","","","0.71069","MoKα","","0.0987","0.0715","","","0.1865","0.2044","","","","","","1.081","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213678","11.0152","0.0005","11.7744","0.0005","12.4173","0.0006","70.921","0.001","86.69","0.001","89.694","0.001","1519.33","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H22 Cu5 Mo8 N36 O28 -","- C30 H18 Cu5 Mo8 N36 O28 -","- C30 H18 Cu5 Mo8 N36 O28 -","1","0.5","","Li, Shaobin; Ma, Huiyuan; Pang, Haijun; Zhang, Zhuanfang; Yu, Yan; Liu, Heng; Yu, Tingting","Tuning the dimension of POM-based inorganic‒organic hybrids from 3D self-penetrating framework to 1D poly-pendant chain via changing POM clusters and introducing secondary spacers","CrystEngComm","2014","16","10","2045","","10.1039/c3ce42064g","","","0.71073","MoKα","","0.0216","0.0198","","","0.0525","0.0538","","","","","","1.018","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213679","16.437","0.004","21.933","0.006","21.811","0.006","90","","100.372","0.003","90","","7735","4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H31 Cu5 N36 O47 P W12 -","- C30 H18 Cu5 N36 O47 P W12 -","- C120 H72 Cu20 N144 O188 P4 W48 -","4","0.5","","Li, Shaobin; Ma, Huiyuan; Pang, Haijun; Zhang, Zhuanfang; Yu, Yan; Liu, Heng; Yu, Tingting","Tuning the dimension of POM-based inorganic‒organic hybrids from 3D self-penetrating framework to 1D poly-pendant chain via changing POM clusters and introducing secondary spacers","CrystEngComm","2014","16","10","2045","","10.1039/c3ce42064g","","","0.71073","MoKα","","0.1326","0.0857","","","0.2171","0.2419","","","","","","1.087","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213680","10.7704","0.0005","11.2485","0.0005","12.3945","0.0005","63.892","0.005","66.121","0.004","73.689","0.007","1223.29","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H28 Cu4 Mo8 N14 O34 -","- C20 H14 Cu4 Mo8 N14 O34 -","- C20 H14 Cu4 Mo8 N14 O34 -","1","0.5","","Li, Shaobin; Ma, Huiyuan; Pang, Haijun; Zhang, Zhuanfang; Yu, Yan; Liu, Heng; Yu, Tingting","Tuning the dimension of POM-based inorganic‒organic hybrids from 3D self-penetrating framework to 1D poly-pendant chain via changing POM clusters and introducing secondary spacers","CrystEngComm","2014","16","10","2045","","10.1039/c3ce42064g","","","0.71073","MoKα","","0.0325","0.0268","","","0.0663","0.0692","","","","","","1.031","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213681","13.47","0.004","25.55","0.007","9.964","0.003","90","","91.569","0.004","90","","3427.9","1.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H50 Cl6 N6 O14 Pr2 -","- C72 H50 Cl6 N6 O14 Pr2 -","- C144 H100 Cl12 N12 O28 Pr4 -","2","0.5","","Carter, Korey P.; Pope, Simon J. A.; Cahill, Christopher L.","A series of Ln-p-chlorobenzoic acid‒terpyridine complexes: lanthanide contraction effects, supramolecular interactions and luminescent behavior","CrystEngComm","2014","16","10","1873","","10.1039/c3ce42267d","","x-ray","0.71073","MoKα","","0.0576","0.0347","","","0.0682","0.0766","","","","","","0.984","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213682","9.8762","0.0014","13.3762","0.0019","13.76","0.002","85.263","0.002","85.703","0.002","71.627","0.002","1716.9","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 Cl6 N6 Nd2 O14 -","- C72 H46 Cl6 N6 Nd2 O14 -","- C72 H46 Cl6 N6 Nd2 O14 -","1","0.5","","Carter, Korey P.; Pope, Simon J. A.; Cahill, Christopher L.","A series of Ln-p-chlorobenzoic acid‒terpyridine complexes: lanthanide contraction effects, supramolecular interactions and luminescent behavior","CrystEngComm","2014","16","10","1873","","10.1039/c3ce42267d","","x-ray","0.71073","MoKα","","0.0615","0.0434","","","0.0957","0.1048","","","","","","1.038","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213683","9.87","0.004","13.299","0.005","13.741","0.005","85.436","0.006","85.671","0.005","71.838","0.005","1705.9","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 Cl6 N6 O14 Sm2 -","- C72 H50 Cl6 N6 O14 Sm2 -","- C72 H50 Cl6 N6 O14 Sm2 -","1","0.5","","Carter, Korey P.; Pope, Simon J. A.; Cahill, Christopher L.","A series of Ln-p-chlorobenzoic acid‒terpyridine complexes: lanthanide contraction effects, supramolecular interactions and luminescent behavior","CrystEngComm","2014","16","10","1873","","10.1039/c3ce42267d","","x-ray","0.71073","MoKα","","0.0801","0.056","","","0.1133","0.1245","","","","","","1.013","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213684","8.676","0.005","13.215","0.005","14.791","0.005","100.259","0.005","98.005","0.005","92.052","0.005","1649.3","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Cl3 N3 O7 Sm -","- C36 H25 Cl3 N3 O7 Sm -","- C72 H50 Cl6 N6 O14 Sm2 -","2","1","","Carter, Korey P.; Pope, Simon J. A.; Cahill, Christopher L.","A series of Ln-p-chlorobenzoic acid‒terpyridine complexes: lanthanide contraction effects, supramolecular interactions and luminescent behavior","CrystEngComm","2014","16","10","1873","","10.1039/c3ce42267d","","x-ray","0.71073","MoKα","","0.0299","0.0255","","","0.0587","0.0601","","","","","","1.049","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213685","9.938","0.003","13.296","0.003","13.692","0.003","85.412","0.004","85.738","0.004","71.375","0.004","1706.7","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 Cl6 Eu2 N6 O14 -","- C72 H50 Cl6 Eu2 N6 O14 -","- C72 H50 Cl6 Eu2 N6 O14 -","1","0.5","","Carter, Korey P.; Pope, Simon J. A.; Cahill, Christopher L.","A series of Ln-p-chlorobenzoic acid‒terpyridine complexes: lanthanide contraction effects, supramolecular interactions and luminescent behavior","CrystEngComm","2014","16","10","1873","","10.1039/c3ce42267d","","x-ray","0.71073","MoKα","","0.0578","0.0446","","","0.0917","0.0978","","","","","","1.023","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213686","8.694","0.003","13.21","0.004","14.787","0.005","100.236","0.006","97.994","0.006","92.172","0.006","1651.6","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Cl3 Eu N3 O7 -","- C36 H25 Cl3 Eu N3 O7 -","- C72 H50 Cl6 Eu2 N6 O14 -","2","1","","Carter, Korey P.; Pope, Simon J. A.; Cahill, Christopher L.","A series of Ln-p-chlorobenzoic acid‒terpyridine complexes: lanthanide contraction effects, supramolecular interactions and luminescent behavior","CrystEngComm","2014","16","10","1873","","10.1039/c3ce42267d","","x-ray","0.71073","MoKα","","0.082","0.0516","","","0.0907","0.1033","","","","","","0.974","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213687","8.6934","0.0009","13.1762","0.0013","14.7709","0.0015","100.235","0.001","97.94","0.001","92.176","0.001","1645.7","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Cl3 Gd N3 O7 -","- C36 H25 Cl3 Gd N3 O7 -","- C72 H50 Cl6 Gd2 N6 O14 -","2","1","","Carter, Korey P.; Pope, Simon J. A.; Cahill, Christopher L.","A series of Ln-p-chlorobenzoic acid‒terpyridine complexes: lanthanide contraction effects, supramolecular interactions and luminescent behavior","CrystEngComm","2014","16","10","1873","","10.1039/c3ce42267d","","x-ray","0.71073","MoKα","","0.0556","0.0387","","","0.0751","0.0812","","","","","","1.02","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213688","8.684","0.005","13.13","0.005","14.77","0.005","100.221","0.005","97.912","0.005","92.257","0.005","1638.1","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Cl3 N3 O7 Tb -","- C36 H25 Cl3 N3 O7 Tb -","- C72 H50 Cl6 N6 O14 Tb2 -","2","1","","Carter, Korey P.; Pope, Simon J. A.; Cahill, Christopher L.","A series of Ln-p-chlorobenzoic acid‒terpyridine complexes: lanthanide contraction effects, supramolecular interactions and luminescent behavior","CrystEngComm","2014","16","10","1873","","10.1039/c3ce42267d","","x-ray","0.71073","MoKα","","0.0493","0.0368","","","0.0784","0.0817","","","","","","1.078","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213689","8.689","0.005","13.109","0.005","14.771","0.005","100.206","0.005","97.819","0.005","92.396","0.005","1636.7","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Cl3 Dy N3 O7 -","- C36 H23 Cl3 Dy N3 O7 -","- C72 H46 Cl6 Dy2 N6 O14 -","2","1","","Carter, Korey P.; Pope, Simon J. A.; Cahill, Christopher L.","A series of Ln-p-chlorobenzoic acid‒terpyridine complexes: lanthanide contraction effects, supramolecular interactions and luminescent behavior","CrystEngComm","2014","16","10","1873","","10.1039/c3ce42267d","","x-ray","0.71073","MoKα","","0.0635","0.046","","","0.0934","0.0993","","","","","","1.039","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213690","8.703","0.002","13.1","0.003","14.761","0.004","100.253","0.004","97.766","0.004","92.399","0.004","1637.1","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Cl3 Ho N3 O7 -","- C36 H25 Cl3 Ho N3 O7 -","- C72 H50 Cl6 Ho2 N6 O14 -","2","1","","Carter, Korey P.; Pope, Simon J. A.; Cahill, Christopher L.","A series of Ln-p-chlorobenzoic acid‒terpyridine complexes: lanthanide contraction effects, supramolecular interactions and luminescent behavior","CrystEngComm","2014","16","10","1873","","10.1039/c3ce42267d","","x-ray","0.71073","MoKα","","0.0729","0.0468","","","0.0812","0.0907","","","","","","0.994","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213691","8.7004","0.0018","13.066","0.003","14.779","0.003","100.219","0.003","97.697","0.003","92.384","0.003","1634.8","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Cl3 Er N3 O7 -","- C36 H23 Cl3 Er N3 O7 -","- C72 H46 Cl6 Er2 N6 O14 -","2","1","","Carter, Korey P.; Pope, Simon J. A.; Cahill, Christopher L.","A series of Ln-p-chlorobenzoic acid‒terpyridine complexes: lanthanide contraction effects, supramolecular interactions and luminescent behavior","CrystEngComm","2014","16","10","1873","","10.1039/c3ce42267d","","x-ray","0.71073","MoKα","","0.0785","0.0507","","","0.1049","0.118","","","","","","0.986","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213692","8.692","0.005","13.033","0.005","14.775","0.005","100.252","0.005","97.701","0.005","92.426","0.005","1628.4","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Cl3 N3 O7 Tm -","- C36 H25 Cl3 N3 O7 Tm -","- C72 H50 Cl6 N6 O14 Tm2 -","2","1","","Carter, Korey P.; Pope, Simon J. A.; Cahill, Christopher L.","A series of Ln-p-chlorobenzoic acid‒terpyridine complexes: lanthanide contraction effects, supramolecular interactions and luminescent behavior","CrystEngComm","2014","16","10","1873","","10.1039/c3ce42267d","","x-ray","0.71073","MoKα","","0.0472","0.0359","","","0.0722","0.0754","","","","","","0.967","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213693","8.6999","0.0008","13.0183","0.0012","14.8094","0.0014","100.207","0.001","97.549","0.001","92.53","0.001","1632.5","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Cl3 N3 O7 Yb -","- C36 H25 Cl3 N3 O7 Yb -","- C72 H50 Cl6 N6 O14 Yb2 -","2","1","","Carter, Korey P.; Pope, Simon J. A.; Cahill, Christopher L.","A series of Ln-p-chlorobenzoic acid‒terpyridine complexes: lanthanide contraction effects, supramolecular interactions and luminescent behavior","CrystEngComm","2014","16","10","1873","","10.1039/c3ce42267d","","x-ray","0.71073","MoKα","","0.0416","0.0323","","","0.0622","0.066","","","","","","1.001","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213694","8.701","0.0008","13.0007","0.0012","14.7847","0.0014","100.22","0.002","97.514","0.002","92.537","0.002","1627.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Cl3 Lu N3 O7 -","- C36 H23 Cl3 Lu N3 O7 -","- C72 H46 Cl6 Lu2 N6 O14 -","2","1","","Carter, Korey P.; Pope, Simon J. A.; Cahill, Christopher L.","A series of Ln-p-chlorobenzoic acid‒terpyridine complexes: lanthanide contraction effects, supramolecular interactions and luminescent behavior","CrystEngComm","2014","16","10","1873","","10.1039/c3ce42267d","","x-ray","0.71073","MoKα","","0.0648","0.0444","","","0.0797","0.0888","","","","","","0.997","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213695","8.706","0.003","13.108","0.005","14.788","0.005","100.278","0.006","97.723","0.006","92.392","0.006","1641.7","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Cl3 N3 O7 Y -","- C36 H25 Cl3 N3 O7 Y -","- C72 H50 Cl6 N6 O14 Y2 -","2","1","","Carter, Korey P.; Pope, Simon J. A.; Cahill, Christopher L.","A series of Ln-p-chlorobenzoic acid‒terpyridine complexes: lanthanide contraction effects, supramolecular interactions and luminescent behavior","CrystEngComm","2014","16","10","1873","","10.1039/c3ce42267d","","x-ray","0.71073","MoKα","","0.1085","0.0554","","","0.1031","0.1241","","","","","","0.977","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213696","21.065","0.005","12.657","0.003","11.992","0.003","90","","90","","90","","3197.3","1.3","100","3","100","3","","","","","","","","5","P m m a","-P 2a 2a","51","","","","- C16 H112 Br O38 P -","- C16 H102.5 Br O38 P -","- C32 H205 Br2 O76 P2 -","2","0.25","","Muromachi, Sanehiro; Takeya, Satoshi; Yamamoto, Yoshitaka; Ohmura, Ryo","Characterization of tetra-n-butylphosphonium bromide semiclathrate hydrate by crystal structure analysis","CrystEngComm","2014","16","10","2056","","10.1039/c3ce41942h","","","0.7107","MoKα","","0.0715","0.0646","","","0.1858","0.1899","","","","","","1.119","","","","has coordinates,has disorder","180467","2020-10-21","18:00:00",""
"7213697","10.4352","0.0016","9.1374","0.0013","42.862","0.007","90","","90.359","0.003","90","","4086.8","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 F5 N3 O3 -","- C21 H20 F5 N3 O3 -","- C168 H160 F40 N24 O24 -","8","2","","Wang, Ji-Liang; Xu, Jia-Su; Wang, Dong-Yun; Wang, Hui; Li, Zhan-Ting; Zhang, Dan-Wei","Anti-parallel sheet structures of side-chain-free γ-, δ-, and ε-dipeptides stabilized by benzene‒pentafluorobenzene stacking","CrystEngComm","2014","16","10","2078","","10.1039/c3ce42060d","","","0.71073","MoKα","","0.1029","0.0638","","","0.1644","0.1862","","","","","","1.002","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213698","6.303","0.006","7.483","0.007","17.132","0.015","85.192","0.018","81.417","0.018","83.941","0.018","792.6","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H13 F5 N2 O2 -","- C17 H13 F5 N2 O2 -","- C34 H26 F10 N4 O4 -","2","1","","Wang, Ji-Liang; Xu, Jia-Su; Wang, Dong-Yun; Wang, Hui; Li, Zhan-Ting; Zhang, Dan-Wei","Anti-parallel sheet structures of side-chain-free γ-, δ-, and ε-dipeptides stabilized by benzene‒pentafluorobenzene stacking","CrystEngComm","2014","16","10","2078","","10.1039/c3ce42060d","","","0.71073","MoKα","","0.0886","0.0565","","","0.1549","0.175","","","","","","1.009","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213699","6.214","0.006","7.246","0.007","15.518","0.014","93.009","0.012","96.517","0.012","95.237","0.013","689.9","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H9 F5 N2 O2 -","- C15 H9 F5 N2 O2 -","- C30 H18 F10 N4 O4 -","2","1","","Wang, Ji-Liang; Xu, Jia-Su; Wang, Dong-Yun; Wang, Hui; Li, Zhan-Ting; Zhang, Dan-Wei","Anti-parallel sheet structures of side-chain-free γ-, δ-, and ε-dipeptides stabilized by benzene‒pentafluorobenzene stacking","CrystEngComm","2014","16","10","2078","","10.1039/c3ce42060d","","","0.71073","MoKα","","0.1059","0.089","","","0.2421","0.2584","","","","","","1.091","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213700","18.85","0.003","9.519","0.0013","13.5917","0.0019","90","","100.231","0.002","90","","2400","0.6","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H28 F5 N3 O3 -","- C25 H28 F5 N3 O3 -","- C100 H112 F20 N12 O12 -","4","1","","Wang, Ji-Liang; Xu, Jia-Su; Wang, Dong-Yun; Wang, Hui; Li, Zhan-Ting; Zhang, Dan-Wei","Anti-parallel sheet structures of side-chain-free γ-, δ-, and ε-dipeptides stabilized by benzene‒pentafluorobenzene stacking","CrystEngComm","2014","16","10","2078","","10.1039/c3ce42060d","","","0.71073","MoKα","","0.0922","0.0811","","","0.3056","0.3173","","","","","","1.233","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213701","8.796","0.0009","20.174","0.002","10.7947","0.0012","90","","105.704","0.003","90","","1844","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 F5 N2 O2 -","- C19 H17 F5 N2 O2 -","- C76 H68 F20 N8 O8 -","4","1","","Wang, Ji-Liang; Xu, Jia-Su; Wang, Dong-Yun; Wang, Hui; Li, Zhan-Ting; Zhang, Dan-Wei","Anti-parallel sheet structures of side-chain-free γ-, δ-, and ε-dipeptides stabilized by benzene‒pentafluorobenzene stacking","CrystEngComm","2014","16","10","2078","","10.1039/c3ce42060d","","","0.71073","MoKα","","0.0858","0.0463","","","0.1133","0.1318","","","","","","1.013","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213702","6.235","0.004","7.257","0.005","32.88","0.02","87.826","0.013","89.408","0.012","84.552","0.013","1479.9","1.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H11 F5 N2 O2 -","- C16 H11 F5 N2 O2 -","- C64 H44 F20 N8 O8 -","4","2","","Wang, Ji-Liang; Xu, Jia-Su; Wang, Dong-Yun; Wang, Hui; Li, Zhan-Ting; Zhang, Dan-Wei","Anti-parallel sheet structures of side-chain-free γ-, δ-, and ε-dipeptides stabilized by benzene‒pentafluorobenzene stacking","CrystEngComm","2014","16","10","2078","","10.1039/c3ce42060d","","","0.71073","MoKα","","0.0885","0.0749","","","0.222","0.2331","","","","","","1.082","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213703","5.352","0.006","7.971","0.008","12.471","0.013","73.23","0.02","79.202","0.019","89.85","0.02","499.6","0.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H11 N O -","- C13 H11 N O -","- C26 H22 N2 O2 -","2","1","","Wang, Ji-Liang; Xu, Jia-Su; Wang, Dong-Yun; Wang, Hui; Li, Zhan-Ting; Zhang, Dan-Wei","Anti-parallel sheet structures of side-chain-free γ-, δ-, and ε-dipeptides stabilized by benzene‒pentafluorobenzene stacking","CrystEngComm","2014","16","10","2078","","10.1039/c3ce42060d","","","0.71073","MoKα","","0.084","0.0646","","","0.177","0.1886","","","","","","0.96","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213704","16.8272","0.0018","9.5857","0.001","13.9962","0.0014","90","","91.955","0.002","90","","2256.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 F5 N3 O3 -","- C23 H24 F5 N3 O3 -","- C92 H96 F20 N12 O12 -","4","1","","Wang, Ji-Liang; Xu, Jia-Su; Wang, Dong-Yun; Wang, Hui; Li, Zhan-Ting; Zhang, Dan-Wei","Anti-parallel sheet structures of side-chain-free γ-, δ-, and ε-dipeptides stabilized by benzene‒pentafluorobenzene stacking","CrystEngComm","2014","16","10","2078","","10.1039/c3ce42060d","","","0.71073","MoKα","","0.0704","0.0442","","","0.1268","0.1439","","","","","","0.982","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213705","5.434","0.004","9.157","0.007","24.3","0.019","90","","90","","90","","1209.1","1.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H6 F5 N O -","- C13 H6 F5 N O -","- C52 H24 F20 N4 O4 -","4","1","","Wang, Ji-Liang; Xu, Jia-Su; Wang, Dong-Yun; Wang, Hui; Li, Zhan-Ting; Zhang, Dan-Wei","Anti-parallel sheet structures of side-chain-free γ-, δ-, and ε-dipeptides stabilized by benzene‒pentafluorobenzene stacking","CrystEngComm","2014","16","10","2078","","10.1039/c3ce42060d","","","0.71073","MoKα","","0.0454","0.0377","","","0.1027","0.1093","","","","","","1.026","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213706","24.102","0.002","11.0566","0.0009","21.667","0.002","90","","90.299","0.003","90","","5773.9","0.9","223","2","223","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C16 H48 Ag2 I9 La O8 Pb2 S8 -","- C16 H48 Ag2 I9 La O8 Pb2 S8 -","- C64 H192 Ag8 I36 La4 O32 Pb8 S32 -","4","0.5","","Tang, Chunying; Wang, Fang; Jia, Dingxian; Jiang, Wenqing; Zhang, Yong","Syntheses and characterizations of polymeric silver iodoplumbates, and iodoplumbates with lanthanide complexes","CrystEngComm","2014","16","10","2016","","10.1039/c3ce41759j","","","0.71073","MoKα","","0.0653","0.0573","","","0.1472","0.1529","","","","","","1.042","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213707","10.6777","0.001","24.857","0.002","22.051","0.002","90","","90","","90","","5852.7","0.9","223","2","223","2","","","","","","","","8","C c c m","-C 2 2c","66","","","","- C16 H48 Ag2 Gd I9 O8 Pb2 S8 -","- C16 Ag2 Gd I9 O8 Pb2 S8 -","- C64 Ag8 Gd4 I36 O32 Pb8 S32 -","4","0.25","","Tang, Chunying; Wang, Fang; Jia, Dingxian; Jiang, Wenqing; Zhang, Yong","Syntheses and characterizations of polymeric silver iodoplumbates, and iodoplumbates with lanthanide complexes","CrystEngComm","2014","16","10","2016","","10.1039/c3ce41759j","","","0.71073","MoKα","","0.077","0.0557","","","0.1573","0.1796","","","","","","1.047","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213708","10.717","0.002","24.883","0.005","21.972","0.004","90","","90","","90","","5859.3","1.9","293","2","293","2","","","","","","","","8","C c c m","-C 2 2c","66","","","","- C16 H48 Ag2 I9 O8 Pb2 S8 Tm -","- C16 Ag2 I9 O8 Pb2 S8 Tm -","- C64 Ag8 I36 O32 Pb8 S32 Tm4 -","4","0.25","","Tang, Chunying; Wang, Fang; Jia, Dingxian; Jiang, Wenqing; Zhang, Yong","Syntheses and characterizations of polymeric silver iodoplumbates, and iodoplumbates with lanthanide complexes","CrystEngComm","2014","16","10","2016","","10.1039/c3ce41759j","","","0.71073","MoKα","","0.0641","0.0561","","","0.1022","0.1048","","","","","","1.278","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213709","18.634","0.003","15.6835","0.0017","24.675","0.003","90","","107.995","0.003","90","","6858.4","1.6","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H54 I11 La O9 Pb4 S9 -","- C18 H30 I11 La O9 Pb4 S9 -","- C72 H120 I44 La4 O36 Pb16 S36 -","4","1","","Tang, Chunying; Wang, Fang; Jia, Dingxian; Jiang, Wenqing; Zhang, Yong","Syntheses and characterizations of polymeric silver iodoplumbates, and iodoplumbates with lanthanide complexes","CrystEngComm","2014","16","10","2016","","10.1039/c3ce41759j","","","0.71073","MoKα","","0.065","0.0428","","","0.0996","0.1205","","","","","","1.106","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213710","18.549","0.004","15.654","0.003","24.592","0.005","90","","107.85","0.03","90","","6797","3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H54 I11 O9 Pb4 Pr S9 -","- C18 H24 I11 O9 Pb4 Pr S9 -","- C72 H96 I44 O36 Pb16 Pr4 S36 -","4","1","","Tang, Chunying; Wang, Fang; Jia, Dingxian; Jiang, Wenqing; Zhang, Yong","Syntheses and characterizations of polymeric silver iodoplumbates, and iodoplumbates with lanthanide complexes","CrystEngComm","2014","16","10","2016","","10.1039/c3ce41759j","","","0.71073","MoKα","","0.0683","0.0719","","","0.0938","0.1049","","","","","","1.11","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213711","18.6984","0.0019","15.5382","0.0012","24.498","0.003","90","","108.218","0.002","90","","6760.9","1.2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H54 I11 Nd O9 Pb4 S9 -","- C18 H48 I11 Nd O9 Pb4 S9 -","- C72 H192 I44 Nd4 O36 Pb16 S36 -","4","1","","Tang, Chunying; Wang, Fang; Jia, Dingxian; Jiang, Wenqing; Zhang, Yong","Syntheses and characterizations of polymeric silver iodoplumbates, and iodoplumbates with lanthanide complexes","CrystEngComm","2014","16","10","2016","","10.1039/c3ce41759j","","","0.71073","MoKα","","0.0506","0.0328","","","0.0626","0.0909","","","","","","1.111","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213712","7.2256","0.0002","11.6583","0.0004","12.7817","0.0004","90","","90","","90","","1076.71","0.06","293","2","293","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- B5 Cs2 Li3 O10 -","- B5 Cs2 Li3 O10 -","- B20 Cs8 Li12 O40 -","4","0.5","","Yang, Yun; Su, Xin; Pan, Shilie; Zhang, Min; Wang, Ying; Han, Jian; Yang, Zhihua","Crystal growth and calculation of the electronic band structure and density of states of Li3Cs2B5O10","CrystEngComm","2014","16","10","1978","","10.1039/c3ce42084a","","","0.71073","MoKα","","0.0248","0.0246","","","0.0586","0.0587","","","","","","1.036","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213713","18.4648","0.001","18.9507","0.001","12.1406","0.0007","90","","114.522","0.001","90","","3865.1","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Cu2 I2 N4 -","- C16 H20 Cu2 I2 N4 -","- C128 H160 Cu16 I16 N32 -","8","1","","Yuan, Shuai; Liu, Shan-Shan; Sun, Di","Two isomeric [Cu4I4] luminophores: solvothermal/mechanochemical syntheses, structures and thermochromic luminescence properties","CrystEngComm","2014","16","10","1927","","10.1039/c3ce42195c","","","0.71073","MoKα","","0.0608","0.0589","","","0.1832","0.1856","","","","","","1.089","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213714","18.4469","0.001","18.9875","0.0011","12.1745","0.0007","90","","114.546","0.001","90","","3878.9","0.4","160","2","160","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Cu2 I2 N4 -","- C16 H20 Cu2 I2 N4 -","- C128 H160 Cu16 I16 N32 -","8","1","","Yuan, Shuai; Liu, Shan-Shan; Sun, Di","Two isomeric [Cu4I4] luminophores: solvothermal/mechanochemical syntheses, structures and thermochromic luminescence properties","CrystEngComm","2014","16","10","1927","","10.1039/c3ce42195c","","","0.71073","MoKα","","0.0582","0.0548","","","0.1711","0.1777","","","","","","1.069","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213715","18.4558","0.0011","19.0332","0.0011","12.2097","0.0008","90","","114.555","0.001","90","","3901.1","0.4","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Cu2 I2 N4 -","- C16 H20 Cu2 I2 N4 -","- C128 H160 Cu16 I16 N32 -","8","1","","Yuan, Shuai; Liu, Shan-Shan; Sun, Di","Two isomeric [Cu4I4] luminophores: solvothermal/mechanochemical syntheses, structures and thermochromic luminescence properties","CrystEngComm","2014","16","10","1927","","10.1039/c3ce42195c","","","0.71073","MoKα","","0.0507","0.0475","","","0.1356","0.1383","","","","","","1.088","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213716","18.4183","0.0015","19.1626","0.0016","12.278","0.001","90","","114.633","0.001","90","","3939.1","0.6","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Cu2 I2 N4 -","- C16 H20 Cu2 I2 N4 -","- C128 H160 Cu16 I16 N32 -","8","1","","Yuan, Shuai; Liu, Shan-Shan; Sun, Di","Two isomeric [Cu4I4] luminophores: solvothermal/mechanochemical syntheses, structures and thermochromic luminescence properties","CrystEngComm","2014","16","10","1927","","10.1039/c3ce42195c","","","0.71073","MoKα","","0.0339","0.0262","","","0.062","0.0654","","","","","","1.034","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213717","17.9843","0.0018","14.9569","0.0014","22.464","0.002","90","","111.631","0.002","90","","5617","0.9","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H30 Cu2 I2 N6 -","- C24 H30 Cu2 I2 N6 -","- C192 H240 Cu16 I16 N48 -","8","1","","Yuan, Shuai; Liu, Shan-Shan; Sun, Di","Two isomeric [Cu4I4] luminophores: solvothermal/mechanochemical syntheses, structures and thermochromic luminescence properties","CrystEngComm","2014","16","10","1927","","10.1039/c3ce42195c","","","0.71073","MoKα","","0.0818","0.0445","","","0.08","0.091","","","","","","0.856","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213718","8.156","0.0002","10.4612","0.0003","12.4373","0.0004","70.127","0.001","84.695","0.002","79.552","0.002","980.88","0.05","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H28 Cl4 Cu2 N8 O20 -","- C32 H28 Cl4 Cu2 N8 O20 -","- C32 H28 Cl4 Cu2 N8 O20 -","1","0.5","","Golenya, Irina A.; Gumienna-Kontecka, Elzbieta; Haukka, Matti; Korsun, Oleksandr M.; Kalugin, Oleg N.; Fritsky, Igor O.","Copper(ii) complexes of 3- and 4-picolinehydroxamic acids: from mononuclear compounds to 1D- and 2D-coordination polymers","CrystEngComm","2014","16","10","1904","","10.1039/c3ce42343c","","","0.71073","MoKα","","0.0449","0.0323","","","0.073","0.0781","","","","","","1.062","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213719","7.9852","0.0003","24.5926","0.0011","9.3471","0.0004","90","","100.87","0.003","90","","1802.62","0.13","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 Cl Cu N4 O6 -","- C18 H13 Cl Cu N4 O6 -","- C72 H52 Cl4 Cu4 N16 O24 -","4","1","","Golenya, Irina A.; Gumienna-Kontecka, Elzbieta; Haukka, Matti; Korsun, Oleksandr M.; Kalugin, Oleg N.; Fritsky, Igor O.","Copper(ii) complexes of 3- and 4-picolinehydroxamic acids: from mononuclear compounds to 1D- and 2D-coordination polymers","CrystEngComm","2014","16","10","1904","","10.1039/c3ce42343c","","","0.71073","MoKα","","0.0793","0.0579","","","0.1444","0.1582","","","","","","1.021","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7213720","13.4187","0.0006","12.5647","0.0006","21.7018","0.0005","90","","100.669","0.003","90","","3595.7","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H82 Cu4 N16 O25 -","- C64 H82 Cu4 N16 O25 -","- C128 H164 Cu8 N32 O50 -","2","0.5","","Golenya, Irina A.; Gumienna-Kontecka, Elzbieta; Haukka, Matti; Korsun, Oleksandr M.; Kalugin, Oleg N.; Fritsky, Igor O.","Copper(ii) complexes of 3- and 4-picolinehydroxamic acids: from mononuclear compounds to 1D- and 2D-coordination polymers","CrystEngComm","2014","16","10","1904","","10.1039/c3ce42343c","","","0.71073","MoKα","","0.106","0.0548","","","0.1105","0.1289","","","","","","1.046","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213721","8.7094","0.0003","9.5978","0.0003","10.6996","0.0003","96.294","0.002","102.423","0.002","95.889","0.002","860.82","0.05","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C10 H17 Cl Cu N2 O8 S2 -","- C10 H17 Cl Cu N2 O8 S2 -","- C20 H34 Cl2 Cu2 N4 O16 S4 -","2","1","","Golenya, Irina A.; Gumienna-Kontecka, Elzbieta; Haukka, Matti; Korsun, Oleksandr M.; Kalugin, Oleg N.; Fritsky, Igor O.","Copper(ii) complexes of 3- and 4-picolinehydroxamic acids: from mononuclear compounds to 1D- and 2D-coordination polymers","CrystEngComm","2014","16","10","1904","","10.1039/c3ce42343c","","","0.71073","MoKα","","0.0511","0.0335","","","0.0778","0.0847","","","","","","1.025","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213722","10.9002","0.0003","12.4076","0.0004","12.8803","0.0002","90","","98.5","0.002","90","","1722.87","0.08","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C10 H17 Cl Cu N2 O8 S2 -","- C10 H17 Cl Cu N2 O8 S2 -","- C40 H68 Cl4 Cu4 N8 O32 S8 -","4","1","","Golenya, Irina A.; Gumienna-Kontecka, Elzbieta; Haukka, Matti; Korsun, Oleksandr M.; Kalugin, Oleg N.; Fritsky, Igor O.","Copper(ii) complexes of 3- and 4-picolinehydroxamic acids: from mononuclear compounds to 1D- and 2D-coordination polymers","CrystEngComm","2014","16","10","1904","","10.1039/c3ce42343c","","","0.71073","MoKα","","0.0435","0.0318","","","0.0711","0.076","","","","","","1.063","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213723","16.1013","0.0004","12.1614","0.0002","18.9485","0.0005","90","","90","","90","","3710.39","0.15","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H13 Cl Cu N4 O6 -","- C18 H13 Cl Cu N4 O6 -","- C144 H104 Cl8 Cu8 N32 O48 -","8","1","","Golenya, Irina A.; Gumienna-Kontecka, Elzbieta; Haukka, Matti; Korsun, Oleksandr M.; Kalugin, Oleg N.; Fritsky, Igor O.","Copper(ii) complexes of 3- and 4-picolinehydroxamic acids: from mononuclear compounds to 1D- and 2D-coordination polymers","CrystEngComm","2014","16","10","1904","","10.1039/c3ce42343c","","","0.71073","MoKα","","0.0578","0.0419","","","0.1155","0.1275","","","","","","1.079","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213724","14.1287","0.0007","8.6553","0.0003","15.737","0.0008","90","","110.535","0.002","90","","1802.17","0.14","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 Cl2 Cu N4 O12 -","- C12 H12 Cl2 Cu N4 O12 -","- C48 H48 Cl8 Cu4 N16 O48 -","4","0.5","","Golenya, Irina A.; Gumienna-Kontecka, Elzbieta; Haukka, Matti; Korsun, Oleksandr M.; Kalugin, Oleg N.; Fritsky, Igor O.","Copper(ii) complexes of 3- and 4-picolinehydroxamic acids: from mononuclear compounds to 1D- and 2D-coordination polymers","CrystEngComm","2014","16","10","1904","","10.1039/c3ce42343c","","","0.71073","MoKα","","0.0404","0.0323","","","0.0857","0.0912","","","","","","1.059","","","","has coordinates,has disorder","180468","2020-10-21","18:00:00",""
"7213725","27.908","0.005","27.908","0.005","6.521","0.005","90","0.005","90","0.005","90","0.005","5079","4","293","2","293","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C28 H32 N2 O2 -","- C28 H32 N2 O2 -","- C224 H256 N16 O16 -","8","0.5","","Zhang, Ruilong; Zhang, Qiong; Liu, Zhaodi; Yang, Longmei; Wu, Jieying; Zhou, Hongping; Yang, Jiaxiang; Tian, Yupeng","Two polymorphs and cocrystal of styryl-pyridine derivatives with tuned emission induced by Co2+ and Zn(phen)32+","CrystEngComm","2014","16","10","2039","","10.1039/c3ce42069h","","","0.71069","MoKα","","0.1679","0.0749","","","0.1921","0.2462","","","","","","1.141","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213726","8.5234","0.0015","10.7419","0.0019","14.505","0.003","73.507","0.002","83.091","0.002","76.901","0.002","1238","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H32 N2 O2 -","- C28 H32 N2 O2 -","- C56 H64 N4 O4 -","2","1","","Zhang, Ruilong; Zhang, Qiong; Liu, Zhaodi; Yang, Longmei; Wu, Jieying; Zhou, Hongping; Yang, Jiaxiang; Tian, Yupeng","Two polymorphs and cocrystal of styryl-pyridine derivatives with tuned emission induced by Co2+ and Zn(phen)32+","CrystEngComm","2014","16","10","2039","","10.1039/c3ce42069h","","","0.71073","MoKα","","0.1809","0.0943","","","0.2441","0.3201","","","","","","1.059","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213727","10.976","0.005","12.928","0.005","18.049","0.005","90.231","0.005","92.082","0.005","113.369","0.005","2349","1.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H40 Cl2 N7 O9 Zn -","- C50 H40 Cl2 N7 O9 Zn -","- C100 H80 Cl4 N14 O18 Zn2 -","2","1","","Zhang, Ruilong; Zhang, Qiong; Liu, Zhaodi; Yang, Longmei; Wu, Jieying; Zhou, Hongping; Yang, Jiaxiang; Tian, Yupeng","Two polymorphs and cocrystal of styryl-pyridine derivatives with tuned emission induced by Co2+ and Zn(phen)32+","CrystEngComm","2014","16","10","2039","","10.1039/c3ce42069h","","","0.71069","MoKα","","0.1143","0.0731","","","0.2088","0.2326","","","","","","1.325","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213728","12.0653","0.0005","29.4244","0.0012","7.6893","0.0003","90","","90","","90","","2729.81","0.19","296","2","296","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","Hup A Form H2","","","- C15 H20 N2 O2 -","- C15 H18 N2 O1.9435 -","- C120 H144 N16 O15.548 -","8","2","","Zhang, Qi; Lu, Liye; Dai, Wenjuan; Mei, Xuefeng","Polymorphism and isomorphism of Huperzine A solvates: structure, properties and form transformation","CrystEngComm","2014","16","10","1919","","10.1039/c3ce41965g","","","0.71073","MoKα","","0.1092","0.0497","","","0.0793","0.0912","","","","","","0.827","","","","has coordinates,has disorder","180468","2020-10-21","18:00:00",""
"7213729","14.7583","0.0014","29.841","0.003","7.5013","0.0008","90","","90","","90","","3303.6","0.6","296","2","296","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","Hup A Form S1","","","- C17.5 H24 N2 O1.5 -","- C17.5 H24 N2 O1.5 -","- C140 H192 N16 O12 -","8","2","","Zhang, Qi; Lu, Liye; Dai, Wenjuan; Mei, Xuefeng","Polymorphism and isomorphism of Huperzine A solvates: structure, properties and form transformation","CrystEngComm","2014","16","10","1919","","10.1039/c3ce41965g","","","0.71073","MoKα","","0.0879","0.0575","","","0.1286","0.143","","","","","","0.995","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213730","8.0666","0.0006","16.294","0.0012","12.7096","0.001","90","","94.054","0.004","90","","1666.3","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","Hup A Form S4","","","- C18 H25 N2 O -","- C18 H25 N2 O -","- C72 H100 N8 O4 -","4","2","","Zhang, Qi; Lu, Liye; Dai, Wenjuan; Mei, Xuefeng","Polymorphism and isomorphism of Huperzine A solvates: structure, properties and form transformation","CrystEngComm","2014","16","10","1919","","10.1039/c3ce41965g","","","0.71073","MoKα","","0.0433","0.0422","","","0.1168","0.1186","","","","","","1.042","","","","has coordinates,has disorder","180468","2020-10-21","18:00:00",""
"7213731","12.1","0.002","29.76","0.006","7.7","0.0015","90","","90","","90","","2772.7","0.9","273","2","273","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","Hup A Form s3","","","- C15.25 H18.75 N2.25 O1.5 -","- C15.25 H18.75 N2.25 O1.5 -","- C122 H150 N18 O12 -","8","2","","Zhang, Qi; Lu, Liye; Dai, Wenjuan; Mei, Xuefeng","Polymorphism and isomorphism of Huperzine A solvates: structure, properties and form transformation","CrystEngComm","2014","16","10","1919","","10.1039/c3ce41965g","","","0.71073","MoKα","","0.0821","0.056","","","0.1505","0.1681","","","","","","1.023","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213732","19.9216","0.0004","7.4733","0.0001","15.2146","0.0003","90","","130.274","0.001","90","","1728.22","0.06","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","Hup A Form S2","","","- C19 H26 N2 O2 -","- C19 H26 N2 O2 -","- C76 H104 N8 O8 -","4","1","","Zhang, Qi; Lu, Liye; Dai, Wenjuan; Mei, Xuefeng","Polymorphism and isomorphism of Huperzine A solvates: structure, properties and form transformation","CrystEngComm","2014","16","10","1919","","10.1039/c3ce41965g","","","0.71073","MoKα","","0.0369","0.0361","","","0.1011","0.102","","","","","","1.053","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213733","11.1699","0.0002","14.0489","0.0003","27.7447","0.0003","102.364","0.001","97.794","0.001","100.39","0.002","4113.77","0.13","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C74 H63 Cl Cu5 I4 N6 O25 Sm3 -","- C74 Cl Cu5 I4 N6 O25 Sm3 -","- C148 Cl2 Cu10 I8 N12 O50 Sm6 -","2","1","","Fang, Wei-Hui; Yang, Guo-Yu","Constructing heterometallic frameworks with highly connected topology based on edge-to-edge hexanuclear lanthanide clusters","CrystEngComm","2014","16","10","1885","","10.1039/c3ce42224k","","","1.54178","CuKα","","0.0881","0.076","","","0.2019","0.2164","","","","","","0.991","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213734","11.2148","0.0002","17.3605","0.0002","26.9709","0.0005","84.067","0.001","85.012","0.002","71.92","0.002","4956.7","0.15","293","2","293","2","","","","","","","","8","P 1","P 1","1","","","","- C168 H142 Cl2 Cu14 I12 N14 O53 Sm6 -","- C168 Cl2 Cu14 I12 N14 O53 Sm6 -","- C168 Cl2 Cu14 I12 N14 O53 Sm6 -","1","1","","Fang, Wei-Hui; Yang, Guo-Yu","Constructing heterometallic frameworks with highly connected topology based on edge-to-edge hexanuclear lanthanide clusters","CrystEngComm","2014","16","10","1885","","10.1039/c3ce42224k","","","0.71073","MoKα","","0.0534","0.0475","","","0.1328","0.1382","","","","","","1.026","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213735","10.6782","0.0002","8.3255","0.0001","20.312","0.0005","90","","105.218","0.003","90","","1742.44","0.06","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","<i>N</i>-(2-Ethyl-1,1-dioxo-2,3-dihydro-1<i>H</i>-1λ^6^-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-<i>N</i>'-(3-nitro-benzylidene)-hydrazine","<i>N</i>-(2-Ethyl-1,1-dioxo-2,3-dihydro-1<i>H</i>-1λ^6^-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-<i>N</i>'-(3-nitro-benzylidene)-hydrazine","","- C17 H16 N4 O4 S -","- C17 H16 N4 O4 S -","- C68 H64 N16 O16 S4 -","4","1","","Aman, Farhana; Asiri, Abdullah M.; Siddiqui, Waseeq A.; Arshad, Muhammad Nadeem; Ashraf, Adnan; Zakharov, Nikita S.; Blatov, Vladislav A.","Multilevel topological description of molecular packings in 1,2-benzothiazines","CrystEngComm","2014","16","10","1963","","10.1039/c3ce42218f","","","1.54184","CuKα","","0.0397","0.0366","","","0.1008","0.1048","","","","","","1.039","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213736","14.3069","0.0003","7.0786","0.0002","14.4568","0.0006","90","","91.803","0.002","90","","1463.36","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","<i>N</i>-(1,1-Dioxo-2,3-dihydro-1<i>H</i>-1λ^6^-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-<i>N</i>'-(2-methyl-benzylidene)-hydrazine","<i>N</i>-(1,1-Dioxo-2,3-dihydro-1<i>H</i>-1λ^6^-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-<i>N</i>'-(2-methyl-benzylidene)-hydrazine","","- C16 H15 N3 O2 S -","- C16 H15 N3 O2 S -","- C64 H60 N12 O8 S4 -","4","1","","Aman, Farhana; Asiri, Abdullah M.; Siddiqui, Waseeq A.; Arshad, Muhammad Nadeem; Ashraf, Adnan; Zakharov, Nikita S.; Blatov, Vladislav A.","Multilevel topological description of molecular packings in 1,2-benzothiazines","CrystEngComm","2014","16","10","1963","","10.1039/c3ce42218f","","","1.54184","CuKα","","0.0352","0.0334","","","0.0975","0.0995","","","","","","1.07","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213737","7.317","0.0001","13.0149","0.0002","16.1806","0.0002","90","","90","","90","","1540.88","0.04","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","<i>N</i>-(1,1-Dioxo-2,3-dihydro-1<i>H</i>-1λ^6^-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-<i>N</i>'-(4-methyl-benzylidene)-hydrazine","<i>N</i>-(1,1-Dioxo-2,3-dihydro-1<i>H</i>-1λ^6^-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-<i>N</i>'-(4-methyl-benzylidene)-hydrazine","","- C16 H15 N3 O2 S -","- C16 H15 N3 O2 S -","- C64 H60 N12 O8 S4 -","4","1","","Aman, Farhana; Asiri, Abdullah M.; Siddiqui, Waseeq A.; Arshad, Muhammad Nadeem; Ashraf, Adnan; Zakharov, Nikita S.; Blatov, Vladislav A.","Multilevel topological description of molecular packings in 1,2-benzothiazines","CrystEngComm","2014","16","10","1963","","10.1039/c3ce42218f","","","1.54184","CuKα","","0.029","0.0275","","","0.0756","0.0772","","","","","","1.065","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213738","8.1464","0.0003","8.3969","0.0003","11.1659","0.0004","86.728","0.003","84.54","0.003","86.4","0.003","757.83","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","<i>N</i>-(1,1-Dioxo-2,3-dihydro-1<i>H</i>-1λ^6^-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-<i>N</i>'-(3-methyl-benzylidene)-hydrazine","<i>N</i>-(1,1-Dioxo-2,3-dihydro-1<i>H</i>-1λ^6^-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-<i>N</i>'-(3-methyl-benzylidene)-hydrazine","","- C16 H15 N3 O2 S -","- C16 H15 N3 O2 S -","- C32 H30 N6 O4 S2 -","2","1","","Aman, Farhana; Asiri, Abdullah M.; Siddiqui, Waseeq A.; Arshad, Muhammad Nadeem; Ashraf, Adnan; Zakharov, Nikita S.; Blatov, Vladislav A.","Multilevel topological description of molecular packings in 1,2-benzothiazines","CrystEngComm","2014","16","10","1963","","10.1039/c3ce42218f","","","1.54184","CuKα","","0.0388","0.0346","","","0.1022","0.1081","","","","","","0.972","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213739","26.6368","0.001","7.1909","0.0002","8.6143","0.0003","90","","112.741","0.004","90","","1521.74","0.1","296","2","296","2","","","","","","","","5","P 1 n 1","P -2yac","7","<i>N</i>-(1,1-Dioxo-2,3-dihydro-1<i>H</i>-1λ^6^-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-<i>N</i>'-(4-methoxy-benzylidene)-hydrazine","<i>N</i>-(1,1-Dioxo-2,3-dihydro-1<i>H</i>-1λ^6^-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-<i>N</i>'-(3-methyl-benzylidene)-hydrazine","","- C16 H15 N3 O3 S -","- C16 H15 N3 O3 S -","- C64 H60 N12 O12 S4 -","4","2","","Aman, Farhana; Asiri, Abdullah M.; Siddiqui, Waseeq A.; Arshad, Muhammad Nadeem; Ashraf, Adnan; Zakharov, Nikita S.; Blatov, Vladislav A.","Multilevel topological description of molecular packings in 1,2-benzothiazines","CrystEngComm","2014","16","10","1963","","10.1039/c3ce42218f","","","1.54184","CuKα","","0.0517","0.0419","","","0.1273","0.1377","","","","","","1.043","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213740","14.1043","0.0002","8.4919","0.0001","28.3452","0.0004","90","","93.671","0.002","90","","3388","0.08","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","4-[(1,1-Dioxo-2,3-dihydro-1<i>H</i>-1l6-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-hydrazonomethyl]-2-ethoxy-phenol","4-[(1,1-Dioxo-2,3-dihydro-1<i>H</i>-1l6-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-hydrazonomethyl]-2-ethoxy-phenol","","- C18 H19 N3 O3 S -","- C18 H19 N3 O3 S -","- C144 H152 N24 O24 S8 -","8","1","","Aman, Farhana; Asiri, Abdullah M.; Siddiqui, Waseeq A.; Arshad, Muhammad Nadeem; Ashraf, Adnan; Zakharov, Nikita S.; Blatov, Vladislav A.","Multilevel topological description of molecular packings in 1,2-benzothiazines","CrystEngComm","2014","16","10","1963","","10.1039/c3ce42218f","","","1.54184","CuKα","","0.062","0.06","","","0.1888","0.1915","","","","","","1.048","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213741","6.6454","0.0001","10.9886","0.0002","21.2138","0.0004","90","","90","","90","","1549.11","0.05","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","<i>N</i>-(1,1-Dioxo-2,3-dihydro-1<i>H</i>-1λ^6^-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-<i>N</i>'-(2-methoxy-benzylidene)-hydrazine","<i>N</i>-(1,1-Dioxo-2,3-dihydro-1<i>H</i>-1λ^6^-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-<i>N</i>'-(2-methoxy-benzylidene)-hydrazine","","- C16 H15 N3 O3 S -","- C16 H15 N3 O3 S -","- C64 H60 N12 O12 S4 -","4","1","","Aman, Farhana; Asiri, Abdullah M.; Siddiqui, Waseeq A.; Arshad, Muhammad Nadeem; Ashraf, Adnan; Zakharov, Nikita S.; Blatov, Vladislav A.","Multilevel topological description of molecular packings in 1,2-benzothiazines","CrystEngComm","2014","16","10","1963","","10.1039/c3ce42218f","","","1.54184","CuKα","","0.0308","0.0297","","","0.0806","0.0818","","","","","","0.922","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213742","8.2437","0.0004","9.5959","0.0005","11.1377","0.0006","95.383","0.004","107.003","0.004","112.475","0.005","757.18","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","<i>N</i>-(1,1-Dioxo-2,3-dihydro-1<i>H</i>-1λ^6^-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-<i>N</i>'-(3-methoxy-benzylidene)-hydrazine","<i>N</i>-(1,1-Dioxo-2,3-dihydro-1<i>H</i>-1λ^6^-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-<i>N</i>'-(3-methoxy-benzylidene)-hydrazine","","- C16 H15 N3 O3 S -","- C16 H15 N3 O3 S -","- C32 H30 N6 O6 S2 -","2","1","","Aman, Farhana; Asiri, Abdullah M.; Siddiqui, Waseeq A.; Arshad, Muhammad Nadeem; Ashraf, Adnan; Zakharov, Nikita S.; Blatov, Vladislav A.","Multilevel topological description of molecular packings in 1,2-benzothiazines","CrystEngComm","2014","16","10","1963","","10.1039/c3ce42218f","","","1.54184","CuKα","","0.0373","0.0348","","","0.0991","0.1024","","","","","","0.962","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213743","8.4612","0.0003","8.35","0.0003","24.9103","0.0009","90","","94.49","0.003","90","","1754.54","0.11","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","<i>N</i>-(2-Ethyl-1,1-dioxo-2,3-dihydro-1<i>H</i>-1λ^6^-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-<i>N</i>'-(4-methyl-benzylidene)-hydrazine","<i>N</i>-(2-Ethyl-1,1-dioxo-2,3-dihydro-1<i>H</i>-1λ^6^-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-<i>N</i>'-(4-methyl-benzylidene)-hydrazine","","- C18 H19 N3 O2 S -","- C18 H19 N3 O2 S -","- C72 H76 N12 O8 S4 -","4","1","","Aman, Farhana; Asiri, Abdullah M.; Siddiqui, Waseeq A.; Arshad, Muhammad Nadeem; Ashraf, Adnan; Zakharov, Nikita S.; Blatov, Vladislav A.","Multilevel topological description of molecular packings in 1,2-benzothiazines","CrystEngComm","2014","16","10","1963","","10.1039/c3ce42218f","","","1.54184","CuKα","","0.0608","0.0533","","","0.1526","0.1637","","","","","","1.041","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213744","8.5087","0.0005","9.0853","0.0006","19.3952","0.0008","89.564","0.004","79.817","0.004","73.739","0.006","1415.28","0.15","296","2","296","2","","","","","","","","5","P -1","-P 1","2","<i>N</i>-(2-Ethyl-1,1-dioxo-2,3-dihydro-1<i>H</i>-1λ^6^-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-<i>N</i>'-(4-methyl-benzylidene)-hydrazine","<i>N</i>-(2-Ethyl-1,1-dioxo-2,3-dihydro-1<i>H</i>-1λ^6^-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-<i>N</i>'-(4-methyl-benzylidene)-hydrazine","","- C15 H13 N3 O2 S -","- C15 H13 N3 O2 S -","- C60 H52 N12 O8 S4 -","4","2","","Aman, Farhana; Asiri, Abdullah M.; Siddiqui, Waseeq A.; Arshad, Muhammad Nadeem; Ashraf, Adnan; Zakharov, Nikita S.; Blatov, Vladislav A.","Multilevel topological description of molecular packings in 1,2-benzothiazines","CrystEngComm","2014","16","10","1963","","10.1039/c3ce42218f","","","1.54184","CuKα","","0.1163","0.0851","","","0.2201","0.2664","","","","","","1.05","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213745","6.3407","0.0001","16.6106","0.0004","14.4754","0.0003","90","","90","","90","","1524.59","0.05","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","<i>N</i>-(2-Ethyl-1,1-dioxo-2,3-dihydro-1<i>H</i>-1λ^6^-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-<i>N</i>'-(4-methyl-benzylidene)-hydrazine","<i>N</i>-(2-Ethyl-1,1-dioxo-2,3-dihydro-1<i>H</i>-1λ^6^-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-<i>N</i>'-(4-methyl-benzylidene)-hydrazine","","- C15 H12 Br N3 O2 S -","- C15 H12 Br N3 O2 S -","- C60 H48 Br4 N12 O8 S4 -","4","1","","Aman, Farhana; Asiri, Abdullah M.; Siddiqui, Waseeq A.; Arshad, Muhammad Nadeem; Ashraf, Adnan; Zakharov, Nikita S.; Blatov, Vladislav A.","Multilevel topological description of molecular packings in 1,2-benzothiazines","CrystEngComm","2014","16","10","1963","","10.1039/c3ce42218f","","","1.54184","CuKα","","0.057","0.0565","","","0.1507","0.152","","","","","","1.039","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213746","9.215","0.0003","18.8491","0.0005","10.429","0.0003","90","","100.392","0.003","90","","1781.75","0.09","284","2","284","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 Cu F6 N12 O6 S4 -","- C28 H24 Cu F6 N12 O6 S4 -","- C56 H48 Cu2 F12 N24 O12 S8 -","2","0.5","","Ma, Jian-Ping; Liu, Shao-Chen; Zhao, Chao-Wei; Zhang, Xiao-Meng; Sun, Chuan-Zhi; Dong, Yu-Bin","Reversible visual thermochromic coordination polymers via single-crystal-to-single-crystal transformation","CrystEngComm","2014","16","3","304","","10.1039/c3ce41886c","","","0.71073","MoKα","","0.0441","0.0333","","","0.0725","0.0781","","","","","","1.048","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213747","9.2224","0.0007","18.8786","0.0013","10.4661","0.0008","90","","100.366","0.007","90","","1792.5","0.2","323","2","323","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 Cu F6 N12 O6 S4 -","- C28 H24 Cu F6 N12 O6 S4 -","- C56 H48 Cu2 F12 N24 O12 S8 -","2","0.5","","Ma, Jian-Ping; Liu, Shao-Chen; Zhao, Chao-Wei; Zhang, Xiao-Meng; Sun, Chuan-Zhi; Dong, Yu-Bin","Reversible visual thermochromic coordination polymers via single-crystal-to-single-crystal transformation","CrystEngComm","2014","16","3","304","","10.1039/c3ce41886c","","","0.71073","MoKα","","0.0754","0.0434","","","0.0823","0.0996","","","","","","1.081","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213748","9.2249","0.0009","18.8564","0.0013","10.4413","0.0011","90","","100.292","0.01","90","","1787","0.3","353","2","353","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 Cu F6 N12 O6 S4 -","- C28 H24 Cu F6 N12 O6 S4 -","- C56 H48 Cu2 F12 N24 O12 S8 -","2","0.5","","Ma, Jian-Ping; Liu, Shao-Chen; Zhao, Chao-Wei; Zhang, Xiao-Meng; Sun, Chuan-Zhi; Dong, Yu-Bin","Reversible visual thermochromic coordination polymers via single-crystal-to-single-crystal transformation","CrystEngComm","2014","16","3","304","","10.1039/c3ce41886c","","","0.71073","MoKα","","0.0689","0.0444","","","0.0874","0.1007","","","","","","1.079","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213749","9.2121","0.0008","18.8386","0.0013","10.4187","0.001","90","","100.408","0.009","90","","1778.3","0.3","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 Cu F6 N12 O6 S4 -","- C28 H24 Cu F6 N12 O6 S4 -","- C56 H48 Cu2 F12 N24 O12 S8 -","2","0.5","","Ma, Jian-Ping; Liu, Shao-Chen; Zhao, Chao-Wei; Zhang, Xiao-Meng; Sun, Chuan-Zhi; Dong, Yu-Bin","Reversible visual thermochromic coordination polymers via single-crystal-to-single-crystal transformation","CrystEngComm","2014","16","3","304","","10.1039/c3ce41886c","","","0.71073","MoKα","","0.0853","0.0488","","","0.0847","0.1047","","","","","","1.06","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213750","8.4724","0.0015","9.3461","0.0017","11.4906","0.0019","82.012","0.002","76.92","0.002","69.835","0.002","830.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H7 N4 O8 Zn2 -","- C15 H7 N4 O8 Zn2 -","- C30 H14 N8 O16 Zn4 -","2","1","","He, Hongming; Sun, Fuxing; Su, Hongmin; Jia, Jiangtao; Li, Qin; Zhu, Guangshan","Syntheses, structures and luminescence properties of three metal‒organic frameworks based on 5-(4-(2H-tetrazol-5-yl)phenoxy)isophthalic acid","CrystEngComm","2014","16","3","339","","10.1039/c3ce41764f","","","0.71073","MoKα","","0.0399","0.0382","","","0.1037","0.1049","","","","","","1.082","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213751","9.1794","0.0009","9.46","0.0009","11.1538","0.001","90.726","0.001","100.252","0.001","105.265","0.001","917.66","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H7 Cd2 N4 O9 -","- C15 H7 Cd2 N4 O9 -","- C30 H14 Cd4 N8 O18 -","2","1","","He, Hongming; Sun, Fuxing; Su, Hongmin; Jia, Jiangtao; Li, Qin; Zhu, Guangshan","Syntheses, structures and luminescence properties of three metal‒organic frameworks based on 5-(4-(2H-tetrazol-5-yl)phenoxy)isophthalic acid","CrystEngComm","2014","16","3","339","","10.1039/c3ce41764f","","","0.71073","MoKα","","0.031","0.0244","","","0.057","0.0604","","","","","","1.034","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213752","9.117","0.016","9.452","0.016","10.914","0.019","97.53","0.03","92.11","0.02","103.25","0.03","905","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H7 Co2 N4 O9 -","- C15 H7 Co2 N4 O9 -","- C30 H14 Co4 N8 O18 -","2","1","","He, Hongming; Sun, Fuxing; Su, Hongmin; Jia, Jiangtao; Li, Qin; Zhu, Guangshan","Syntheses, structures and luminescence properties of three metal‒organic frameworks based on 5-(4-(2H-tetrazol-5-yl)phenoxy)isophthalic acid","CrystEngComm","2014","16","3","339","","10.1039/c3ce41764f","","","0.71073","MoKα","","0.0877","0.0603","","","0.1572","0.1768","","","","","","1.022","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213753","12.9517","0.0017","14.733","0.002","20.052","0.003","90","","129.256","0.008","90","","2962.8","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 Cu3 N28 O2 -","- C30 H30 Cu3 N28 O2 -","- C60 H60 Cu6 N56 O4 -","2","0.5","","Goswami, Soumyabrata; Sanda, Suresh; Konar, Sanjit","A porous metal organic framework with a bcu-type topology involving in situ ligand formation ‒ synthesis, structure, magnetic property and gas adsorption studies","CrystEngComm","2014","16","3","369","","10.1039/c3ce41612g","","","0.71073","MoKα","","0.1281","0.0634","","","0.1371","0.1537","","","","","","0.905","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213754","9.4435","0.0004","11.7657","0.0005","14.9918","0.0007","110.335","0.002","90.018","0.002","93.142","0.002","1559.23","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H22 F6 La2 O20 P6 -","- C18 H22 F6 La2 O20 P6 -","- C36 H44 F12 La4 O40 P12 -","2","1","","Vilela, Sérgio M. F.; Fernandes, José A.; Ananias, Duarte; Carlos, Luís D.; Rocha, João; Tomé, João P. C.; Almeida Paz, Filipe A.","Photoluminescent layered lanthanide‒organic framework based on a novel trifluorotriphosphonate organic linker","CrystEngComm","2014","16","3","344","","10.1039/c3ce41482e","","","0.71073","MoKα","","0.0805","0.0512","","","0.1148","0.1266","","","","","","1.083","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213755","9.7829","0.0005","9.9524","0.0005","17.051","0.0009","90","","100.424","0.002","90","","1632.74","0.15","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H16 F3 O11 P3 -","- C9 H16 F3 O11 P3 -","- C36 H64 F12 O44 P12 -","4","1","","Vilela, Sérgio M. F.; Fernandes, José A.; Ananias, Duarte; Carlos, Luís D.; Rocha, João; Tomé, João P. C.; Almeida Paz, Filipe A.","Photoluminescent layered lanthanide‒organic framework based on a novel trifluorotriphosphonate organic linker","CrystEngComm","2014","16","3","344","","10.1039/c3ce41482e","","","0.71073","MoKα","","0.0449","0.0345","","","0.0924","0.0977","","","","","","1.054","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213756","8.1025","0.0003","8.7996","0.0003","14.951","0.0006","90","","90","","90","","1065.99","0.07","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H6 Cl3 F3 -","- C9 H6 Cl3 F3 -","- C36 H24 Cl12 F12 -","4","1","","Vilela, Sérgio M. F.; Fernandes, José A.; Ananias, Duarte; Carlos, Luís D.; Rocha, João; Tomé, João P. C.; Almeida Paz, Filipe A.","Photoluminescent layered lanthanide‒organic framework based on a novel trifluorotriphosphonate organic linker","CrystEngComm","2014","16","3","344","","10.1039/c3ce41482e","","","0.71073","MoKα","","0.0399","0.0314","","","0.0671","0.0717","","","","","","1.042","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213757","10.3141","0.0006","10.5339","0.0006","15.0122","0.001","69.566","0.003","71.856","0.003","69.669","0.003","1399.25","0.15","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H36 F3 O9 P3 -","- C21 H36 F3 O9 P3 -","- C42 H72 F6 O18 P6 -","2","1","","Vilela, Sérgio M. F.; Fernandes, José A.; Ananias, Duarte; Carlos, Luís D.; Rocha, João; Tomé, João P. C.; Almeida Paz, Filipe A.","Photoluminescent layered lanthanide‒organic framework based on a novel trifluorotriphosphonate organic linker","CrystEngComm","2014","16","3","344","","10.1039/c3ce41482e","","","0.71073","MoKα","","0.1017","0.052","","","0.1122","0.1298","","","","","","1.021","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213758","12.3512","0.0007","20.7502","0.0012","18.8896","0.0011","90","","90.759","0.001","90","","4840.8","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H31 Dy3 N2 O20 -","- C46 H31 Dy3 N2 O20 -","- C184 H124 Dy12 N8 O80 -","4","1","","Liu, Qing-Yan; Li, Yi-Lei; Wang, Yu-Ling; Liu, Cai-Ming; Ding, Li-Wen; Liu, Ying","Ionothermal synthesis of a 3D dysprosium‒1,4-benzenedicarboxylate framework based on the 1D rod-shaped dysprosium‒carboxylate building blocks exhibiting slow magnetization relaxation","CrystEngComm","2014","16","3","486","","10.1039/c3ce41624k","","","0.71073","MoKα","","0.0439","0.0256","","","0.0566","0.0647","","","","","","1.001","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213759","7.126","0.0014","10.736","0.002","10.971","0.002","60.99","0.03","89.03","0.03","86.86","0.03","732.9","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","Naphthalene-perylene-7,7,8,8-tetracyanoquinodimethane complex","","- C42 H24 N4 -","- C42 H24 N4 -","- C42 H24 N4 -","1","0.5","","Dobrowolski, Michał A.; Garbarino, Gaston; Mezouar, Mohamed; Ciesielski, Arkadiusz; Cyrański, Michał K.","Structural diversities of charge transfer organic complexes. Focus on benzenoid hydrocarbons and 7,7,8,8-tetracyanoquinodimethane","CrystEngComm","2014","16","3","415","","10.1039/c3ce41703d","","","0.71073","MoKα","","0.0851","0.0509","","","0.1182","0.1394","","","","","","0.896","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213760","7.2362","0.0015","11.072","0.003","11.308","0.003","62.06","0.02","86.353","0.019","81.766","0.019","792.1","0.4","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","Pyrene-perylene-7,7,8,8-tetracyanoquinodimethane complex","","- C48 H26 N4 -","- C48 H26 N4 -","- C48 H26 N4 -","1","0.5","","Dobrowolski, Michał A.; Garbarino, Gaston; Mezouar, Mohamed; Ciesielski, Arkadiusz; Cyrański, Michał K.","Structural diversities of charge transfer organic complexes. Focus on benzenoid hydrocarbons and 7,7,8,8-tetracyanoquinodimethane","CrystEngComm","2014","16","3","415","","10.1039/c3ce41703d","","","0.71073","MoKα","","0.1154","0.0903","","","0.2492","0.2735","","","","","","1.077","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213761","7.004","0.002","10.09","0.005","11.783","0.005","107.42","0.05","106.46","0.03","93.44","0.04","752.4","0.6","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","Pyrene-7,7,8,8-tetracyanoquinodimethane complex (2:1)","","- C44 H24 N4 -","- C44 H24 N4 -","- C44 H24 N4 -","1","0.5","","Dobrowolski, Michał A.; Garbarino, Gaston; Mezouar, Mohamed; Ciesielski, Arkadiusz; Cyrański, Michał K.","Structural diversities of charge transfer organic complexes. Focus on benzenoid hydrocarbons and 7,7,8,8-tetracyanoquinodimethane","CrystEngComm","2014","16","3","415","","10.1039/c3ce41703d","","","0.71073","MoKα","","0.1418","0.0945","","","0.2292","0.2737","","","","","","0.977","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213762","6.9917","0.0014","10.069","0.002","14.671","0.003","90","","103.52","0.03","90","","1004.2","0.4","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Pyrene-7,7,8,8-tetracyanoquinodimethane complex","","- C28 H14 N4 -","- C28 H14 N4 -","- C56 H28 N8 -","2","0.5","","Dobrowolski, Michał A.; Garbarino, Gaston; Mezouar, Mohamed; Ciesielski, Arkadiusz; Cyrański, Michał K.","Structural diversities of charge transfer organic complexes. Focus on benzenoid hydrocarbons and 7,7,8,8-tetracyanoquinodimethane","CrystEngComm","2014","16","3","415","","10.1039/c3ce41703d","","","0.71073","MoKα","","0.0407","0.0337","","","0.0792","0.0823","","","","","","1.036","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213763","7.1533","0.0005","7.9721","0.0005","9.2258","0.0005","80.107","0.005","89.79","0.005","86.67","0.005","517.41","0.06","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","Chrysene-7,7,8,8-tetracyanoquinodimethane complex","","- C30 H16 N4 -","- C30 H16 N4 -","- C30 H16 N4 -","1","0.5","","Dobrowolski, Michał A.; Garbarino, Gaston; Mezouar, Mohamed; Ciesielski, Arkadiusz; Cyrański, Michał K.","Structural diversities of charge transfer organic complexes. Focus on benzenoid hydrocarbons and 7,7,8,8-tetracyanoquinodimethane","CrystEngComm","2014","16","3","415","","10.1039/c3ce41703d","","","0.71073","MoKα","","0.0372","0.033","","","0.0887","0.0916","","","","","","1.088","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213764","6.7083","0.0009","8.0897","0.0012","9.118","0.002","101.212","0.016","97.72","0.015","99.521","0.012","471.54","0.15","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","Phenanthrene-7,7,8,8-tetracyanoquinodimethane complex","","- C26 H14 N4 -","- C26 H14 N4 -","- C26 H14 N4 -","1","0.5","","Dobrowolski, Michał A.; Garbarino, Gaston; Mezouar, Mohamed; Ciesielski, Arkadiusz; Cyrański, Michał K.","Structural diversities of charge transfer organic complexes. Focus on benzenoid hydrocarbons and 7,7,8,8-tetracyanoquinodimethane","CrystEngComm","2014","16","3","415","","10.1039/c3ce41703d","","","0.71073","MoKα","","0.1716","0.0761","","","0.1763","0.2282","","","","","","0.967","","","","has coordinates,has disorder","180468","2020-10-21","18:00:00",""
"7213765","7.4928","0.001","7.8003","0.001","8.1026","0.0011","84.297","0.006","81.124","0.006","61.343","0.005","410.4","0.1","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","Naphthalene-TCNQ complex","","- C22 H12 N4 -","- C22 H12 N4 -","- C22 H12 N4 -","1","0.5","","Dobrowolski, Michał A.; Garbarino, Gaston; Mezouar, Mohamed; Ciesielski, Arkadiusz; Cyrański, Michał K.","Structural diversities of charge transfer organic complexes. Focus on benzenoid hydrocarbons and 7,7,8,8-tetracyanoquinodimethane","CrystEngComm","2014","16","3","415","","10.1039/c3ce41703d","","","0.71073","MoKα","","0.035","0.0292","","","0.0795","0.0833","","","","","","1.054","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213766","7.9666","0.0016","9.4084","0.0019","9.6154","0.0019","89.66","0.03","71.19","0.03","69.77","0.03","635.6","0.3","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H11 Cu I N3 O -","- C12 H11 Cu I N3 O -","- C24 H22 Cu2 I2 N6 O2 -","2","1","","Zhang, Zhu-Yan; Deng, Zhao-Peng; Zhang, Xian-Fa; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Self-assembly of [Cu3I2]- or [CuI]n-based (n = 2, 4, and ∞) coordination polymers from unsymmetrical bis(pyridyl) and in situ ligands: syntheses, structures, and properties","CrystEngComm","2014","16","3","359","","10.1039/c3ce41774c","","","0.71073","MoKα","","0.0945","0.0607","","","0.1218","0.1664","","","","","","1.078","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213767","23.0737","0.0014","11.5118","0.0007","16.6416","0.0009","90","","90","","90","","4420.3","0.4","295","2","295","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C42 H39 Cu3 I2 N4 P2 -","- C40 H36 Cu3 I2 N3 P2 -","- C160 H144 Cu12 I8 N12 P8 -","4","0.5","","Zhang, Zhu-Yan; Deng, Zhao-Peng; Zhang, Xian-Fa; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Self-assembly of [Cu3I2]- or [CuI]n-based (n = 2, 4, and ∞) coordination polymers from unsymmetrical bis(pyridyl) and in situ ligands: syntheses, structures, and properties","CrystEngComm","2014","16","3","359","","10.1039/c3ce41774c","","","0.71073","MoKα","","0.0966","0.051","","","0.122","0.1531","","","","","","1.099","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213768","9.825","0.002","12.261","0.003","11.798","0.002","90","","93.34","0.03","90","","1418.8","0.5","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H9 Cu2 I2 N3 -","- C11 H9 Cu2 I2 N3 -","- C44 H36 Cu8 I8 N12 -","4","1","","Zhang, Zhu-Yan; Deng, Zhao-Peng; Zhang, Xian-Fa; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Self-assembly of [Cu3I2]- or [CuI]n-based (n = 2, 4, and ∞) coordination polymers from unsymmetrical bis(pyridyl) and in situ ligands: syntheses, structures, and properties","CrystEngComm","2014","16","3","359","","10.1039/c3ce41774c","","","0.71073","MoKα","","0.084","0.0491","","","0.1025","0.1369","","","","","","1.055","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213769","18.782","0.004","9.3645","0.0019","18.609","0.004","90","","97.15","0.03","90","","3247.6","1.2","295","2","295","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C22 H24 Cu4 I4 N6 O -","- C22 H22 Cu4 I4 N6 O -","- C88 H88 Cu16 I16 N24 O4 -","4","1","","Zhang, Zhu-Yan; Deng, Zhao-Peng; Zhang, Xian-Fa; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Self-assembly of [Cu3I2]- or [CuI]n-based (n = 2, 4, and ∞) coordination polymers from unsymmetrical bis(pyridyl) and in situ ligands: syntheses, structures, and properties","CrystEngComm","2014","16","3","359","","10.1039/c3ce41774c","","","0.71073","MoKα","","0.0955","0.0544","","","0.1434","0.1933","","","","","","1.094","","","","has coordinates,has disorder","180468","2020-10-21","18:00:00",""
"7213770","18.5585","0.001","4.28","0.0002","19.0844","0.0009","90","","108.395","0.005","90","","1438.43","0.13","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H11 Cu2 I2 N3 -","- C11 H11 Cu2 I2 N3 -","- C44 H44 Cu8 I8 N12 -","4","0.5","","Zhang, Zhu-Yan; Deng, Zhao-Peng; Zhang, Xian-Fa; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Self-assembly of [Cu3I2]- or [CuI]n-based (n = 2, 4, and ∞) coordination polymers from unsymmetrical bis(pyridyl) and in situ ligands: syntheses, structures, and properties","CrystEngComm","2014","16","3","359","","10.1039/c3ce41774c","","","0.71073","MoKα","","0.0541","0.0376","","","0.0804","0.0896","","","","","","1.046","","","","has coordinates,has disorder","180468","2020-10-21","18:00:00",""
"7213771","12.797","0.003","13.532","0.003","14.117","0.003","77.43","0.03","82.7","0.03","75.15","0.03","2299.7","1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C70 H60 Ag4 N14 O42 Si W12 -","- C70 H56 Ag4 N14 O42 Si W12 -","- C70 H56 Ag4 N14 O42 Si W12 -","1","0.5","","Wang, La-Mei; Wang, Yan; Fan, Yong; Xiao, Li-Na; Hu, Yang-Yang; Gao, Zhong-Min; Zheng, Da-Fang; Cui, Xiao-Bing; Xu, Ji-Qing","The design, syntheses and characterization of a series of hybrids based on polyoxometalates and metal complexes","CrystEngComm","2014","16","3","430","","10.1039/c3ce41611a","","","0.71073","MoKα","","0.1192","0.102","","","0.229","0.2414","","","","","","1.196","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213772","12.208","0.002","22.96","0.005","12.372","0.003","90","","113.85","0.03","90","","3171.7","1.4","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C40 H37 Cu Mo12 N8 O41 Si -","- C40 H32 Cu Mo12 N8 O41 Si -","- C80 H64 Cu2 Mo24 N16 O82 Si2 -","2","1","","Wang, La-Mei; Wang, Yan; Fan, Yong; Xiao, Li-Na; Hu, Yang-Yang; Gao, Zhong-Min; Zheng, Da-Fang; Cui, Xiao-Bing; Xu, Ji-Qing","The design, syntheses and characterization of a series of hybrids based on polyoxometalates and metal complexes","CrystEngComm","2014","16","3","430","","10.1039/c3ce41611a","","","0.71073","MoKα","","0.0567","0.0525","","","0.1274","0.1321","","","","","","1.015","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213773","30.526","0.006","14.052","0.003","19.953","0.004","90","","118.88","0.03","90","","7494","3","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C46 H40 Cd2 Mo12 N8 O50 P V2 -","- C46 H32 Cd2 Mo12 N8 O50 P V2 -","- C184 H128 Cd8 Mo48 N32 O200 P4 V8 -","4","0.5","","Wang, La-Mei; Wang, Yan; Fan, Yong; Xiao, Li-Na; Hu, Yang-Yang; Gao, Zhong-Min; Zheng, Da-Fang; Cui, Xiao-Bing; Xu, Ji-Qing","The design, syntheses and characterization of a series of hybrids based on polyoxometalates and metal complexes","CrystEngComm","2014","16","3","430","","10.1039/c3ce41611a","","","0.71073","MoKα","","0.0813","0.0576","","","0.141","0.155","","","","","","1.056","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213774","24.293","0.005","10.896","0.002","29.975","0.006","90","","90","","90","","7934","3","296","2","296","2","","","","","","","","8","P c c a","-P 2a 2ac","54","","","","- C52 H46 Cu4 Mo12 N10 O45 P V2 -","- C52 H40 Cu4 Mo12 N10 O45 P V2 -","- C208 H160 Cu16 Mo48 N40 O180 P4 V8 -","4","0.5","","Wang, La-Mei; Wang, Yan; Fan, Yong; Xiao, Li-Na; Hu, Yang-Yang; Gao, Zhong-Min; Zheng, Da-Fang; Cui, Xiao-Bing; Xu, Ji-Qing","The design, syntheses and characterization of a series of hybrids based on polyoxometalates and metal complexes","CrystEngComm","2014","16","3","430","","10.1039/c3ce41611a","","","0.71073","MoKα","","0.1097","0.0672","","","0.1975","0.2277","","","","","","1.014","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213775","13.2145","0.0011","24.934","0.002","27.184","0.002","90","","90","","90","","8956.9","1.2","296","2","296","2","","","","","","","","8","I b a m","-I 2 2c","72","","","","- C68 H48 Cu4 Mo12 N12 O42 Si V2 -","- C68 H48 Cu4 Mo12 N12 O42 Si V2 -","- C272 H192 Cu16 Mo48 N48 O168 Si4 V8 -","4","0.25","","Wang, La-Mei; Wang, Yan; Fan, Yong; Xiao, Li-Na; Hu, Yang-Yang; Gao, Zhong-Min; Zheng, Da-Fang; Cui, Xiao-Bing; Xu, Ji-Qing","The design, syntheses and characterization of a series of hybrids based on polyoxometalates and metal complexes","CrystEngComm","2014","16","3","430","","10.1039/c3ce41611a","","","0.71073","MoKα","","0.0716","0.0518","","","0.1347","0.1477","","","","","","1.046","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213776","13.2295","0.0008","24.9102","0.0017","27.2377","0.0019","90","","90","","90","","8976.2","1","296","2","296","2","","","","","","","","8","I b a m","-I 2 2c","72","","","","- C68 H48 Cu4 Ge Mo12 N12 O42 V2 -","- C68 H48 Cu4 Ge Mo12 N12 O42 V2 -","- C272 H192 Cu16 Ge4 Mo48 N48 O168 V8 -","4","0.25","","Wang, La-Mei; Wang, Yan; Fan, Yong; Xiao, Li-Na; Hu, Yang-Yang; Gao, Zhong-Min; Zheng, Da-Fang; Cui, Xiao-Bing; Xu, Ji-Qing","The design, syntheses and characterization of a series of hybrids based on polyoxometalates and metal complexes","CrystEngComm","2014","16","3","430","","10.1039/c3ce41611a","","","0.71073","MoKα","","0.0844","0.0602","","","0.1708","0.1923","","","","","","1.038","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213777","10.5623","0.0005","18.0907","0.0005","23.0081","0.001","90","","102.177","0.003","90","","4297.5","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H37 Gd N8 Ni O13 -","- C41 H37 Gd N8 Ni O13 -","- C164 H148 Gd4 N32 Ni4 O52 -","4","1","","Ion, Adrian E.; Nica, Simona; Madalan, Augustin M.; Maxim, Catalin; Julve, Miguel; Lloret, Francesc; Andruh, Marius","One-dimensional coordination polymers constructed from di- and trinuclear {3d‒4f} tectons. A new useful spacer in crystal engineering: 1,3-bis(4-pyridyl)azulene","CrystEngComm","2014","16","3","319","","10.1039/c3ce41592a","","","0.71073","MoKα","","0.0607","0.0461","","","0.101","0.1068","","","","","","1.062","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213778","9.406","0.0014","13.526","0.003","18.568","0.003","74.727","0.013","81.42","0.012","80.592","0.013","2234.2","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H36 Eu N7 O14 Zn -","- C39 H34 Eu N7 O14 Zn -","- C78 H68 Eu2 N14 O28 Zn2 -","2","1","","Ion, Adrian E.; Nica, Simona; Madalan, Augustin M.; Maxim, Catalin; Julve, Miguel; Lloret, Francesc; Andruh, Marius","One-dimensional coordination polymers constructed from di- and trinuclear {3d‒4f} tectons. A new useful spacer in crystal engineering: 1,3-bis(4-pyridyl)azulene","CrystEngComm","2014","16","3","319","","10.1039/c3ce41592a","","","0.71073","MoKα","","0.1402","0.0878","","","0.2089","0.239","","","","","","0.984","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213779","9.0187","0.0018","9.5438","0.0019","10.835","0.002","87.16","0.017","89.548","0.017","61.353","0.015","817.3","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H22 Cu2 Gd N7 O14 -","- C28 H22 Cu2 Gd N7 O14 -","- C28 H22 Cu2 Gd N7 O14 -","1","0.5","","Ion, Adrian E.; Nica, Simona; Madalan, Augustin M.; Maxim, Catalin; Julve, Miguel; Lloret, Francesc; Andruh, Marius","One-dimensional coordination polymers constructed from di- and trinuclear {3d‒4f} tectons. A new useful spacer in crystal engineering: 1,3-bis(4-pyridyl)azulene","CrystEngComm","2014","16","3","319","","10.1039/c3ce41592a","","","0.71073","MoKα","","0.066","0.0484","","","0.109","0.1165","","","","","","0.958","","","","has coordinates,has disorder","180468","2020-10-21","18:00:00",""
"7213780","15.051","0.003","30.966","0.006","16.201","0.003","90","","93.23","0.03","90","","7539","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H30 Dy N3 Ni2 O23 -","- C40 H30 Dy N3 Ni2 O23 -","- C160 H120 Dy4 N12 Ni8 O92 -","4","1","","Ion, Adrian E.; Nica, Simona; Madalan, Augustin M.; Maxim, Catalin; Julve, Miguel; Lloret, Francesc; Andruh, Marius","One-dimensional coordination polymers constructed from di- and trinuclear {3d‒4f} tectons. A new useful spacer in crystal engineering: 1,3-bis(4-pyridyl)azulene","CrystEngComm","2014","16","3","319","","10.1039/c3ce41592a","","","0.71073","MoKα","","0.093","0.0578","","","0.1515","0.1652","","","","","","0.951","","","","has coordinates,has disorder","180468","2020-10-21","18:00:00",""
"7213781","11.595","0.002","13.96","0.003","12.667","0.002","90","","102.092","0.003","90","","2004.9","0.6","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C46 H38 Mn N8 O5 -","- C46 H38 Mn N8 O5 -","- C92 H76 Mn2 N16 O10 -","2","1","","Wu, Zhe; Sun, Wujuan; Chai, Ying; Zhao, Wenjie; Wu, He; Shi, Ting; Yang, Xuwu","A series of coordination polymers based on a new 2′,5′-dimethyl-1,1′:4′,1′′-terphenyl-3,3′′-dicarboxylic acid ligand: structures, luminescence, and magnetic properties","CrystEngComm","2014","16","3","406","","10.1039/c3ce41971a","","","0.71073","MoKα","","0.1042","0.0717","","","0.174","0.207","","","","","","1","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213782","10.551","0.003","12.28","0.003","14.417","0.004","82.256","0.005","88.642","0.005","79.904","0.004","1822.3","0.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H30 Cd N4 O4 -","- C40 H30 Cd N4 O4 -","- C80 H60 Cd2 N8 O8 -","2","1","","Wu, Zhe; Sun, Wujuan; Chai, Ying; Zhao, Wenjie; Wu, He; Shi, Ting; Yang, Xuwu","A series of coordination polymers based on a new 2′,5′-dimethyl-1,1′:4′,1′′-terphenyl-3,3′′-dicarboxylic acid ligand: structures, luminescence, and magnetic properties","CrystEngComm","2014","16","3","406","","10.1039/c3ce41971a","","","0.71073","MoKα","","0.0418","0.0367","","","0.0972","0.1057","","","","","","1.078","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213783","11.4316","0.001","22.867","0.002","14.3083","0.0012","90","","91.096","0.002","90","","3739.6","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C90 H64 Cd3 N4 O12 -","- C90 H64 Cd3 N4 O12 -","- C180 H128 Cd6 N8 O24 -","2","0.5","","Wu, Zhe; Sun, Wujuan; Chai, Ying; Zhao, Wenjie; Wu, He; Shi, Ting; Yang, Xuwu","A series of coordination polymers based on a new 2′,5′-dimethyl-1,1′:4′,1′′-terphenyl-3,3′′-dicarboxylic acid ligand: structures, luminescence, and magnetic properties","CrystEngComm","2014","16","3","406","","10.1039/c3ce41971a","","","0.71073","MoKα","","0.1103","0.0562","","","0.1106","0.1435","","","","","","0.992","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213784","11.3771","0.0014","22.53","0.003","14.3009","0.0017","90","","91.055","0.002","90","","3665.1","0.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C90 H64 Mn3 N4 O12 -","- C90 H64 Mn3 N4 O12 -","- C180 H128 Mn6 N8 O24 -","2","0.5","","Wu, Zhe; Sun, Wujuan; Chai, Ying; Zhao, Wenjie; Wu, He; Shi, Ting; Yang, Xuwu","A series of coordination polymers based on a new 2′,5′-dimethyl-1,1′:4′,1′′-terphenyl-3,3′′-dicarboxylic acid ligand: structures, luminescence, and magnetic properties","CrystEngComm","2014","16","3","406","","10.1039/c3ce41971a","","","0.71073","MoKα","","0.0767","0.0449","","","0.1237","0.1532","","","","","","1","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213785","21.075","0.002","7.0239","0.0007","31.99","0.003","90","","104.356","0.002","90","","4587.6","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H48 Mn2 N2 O11 -","- C50 H48 Mn2 N2 O11 -","- C200 H192 Mn8 N8 O44 -","4","1","","Wu, Zhe; Sun, Wujuan; Chai, Ying; Zhao, Wenjie; Wu, He; Shi, Ting; Yang, Xuwu","A series of coordination polymers based on a new 2′,5′-dimethyl-1,1′:4′,1′′-terphenyl-3,3′′-dicarboxylic acid ligand: structures, luminescence, and magnetic properties","CrystEngComm","2014","16","3","406","","10.1039/c3ce41971a","","","0.71073","MoKα","","0.1255","0.0596","","","0.1447","0.202","","","","","","0.996","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213786","19.134","0.004","12.902","0.003","22.579","0.005","90","","91.1","0.03","90","","5573","2","153","2","426","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C100 H98 Cl4 Fe6 N4 O26 S10 -","- C100 H98 Cl4 Fe6 N4 O26 S10 -","- C200 H196 Cl8 Fe12 N8 O52 S20 -","2","0.5","","Jiang, Guomin; Wang, Miao; Gu, Xuefang; Chen, Tingting; Shang, Yanfang; Tang, Yanfeng; Jiang, Guoqing; Shi, Yujun","Synthesis, structure and characterization of Fe6 molecular clusters with peripheral sulfur atom-capped silver nanoparticles","CrystEngComm","2014","16","3","472","","10.1039/c3ce41444b","","","0.71073","MoKα","","0.1081","0.0856","","","0.2021","0.2197","","","","","","1.091","","","","has coordinates,has disorder","180468","2020-10-21","18:00:00",""
"7213787","15.365","0.003","31.833","0.006","16.779","0.003","90","","90","","90","","8207","3","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C58 H72 Mn4 N28 O32 -","- C58 H53 Mn4 N28 O28 -","- C232 H212 Mn16 N112 O112 -","4","0.5","","Li, Huijun; Xu, Zhouqing; Zhao, Bei; Jia, Yanyuan; Ding, Ran; Hou, Hongwei; Fan, Yaoting","Nuclearity control of manganese polymers dependent on structural differences in the coligands and magnetic properties studies","CrystEngComm","2014","16","12","2470","","10.1039/c3ce41553h","","","0.71073","MoKα","","0.1058","0.0878","","","0.2055","0.2171","","","","","","1.104","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213788","13.519","0.003","14.955","0.003","15.356","0.003","102.35","0.03","109.47","0.03","110.99","0.03","2529.4","1.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H52 Mn3 N10 O22 -","- C43 H50 Mn3 N10 O22 -","- C86 H100 Mn6 N20 O44 -","2","1","","Li, Huijun; Xu, Zhouqing; Zhao, Bei; Jia, Yanyuan; Ding, Ran; Hou, Hongwei; Fan, Yaoting","Nuclearity control of manganese polymers dependent on structural differences in the coligands and magnetic properties studies","CrystEngComm","2014","16","12","2470","","10.1039/c3ce41553h","","","0.71073","MoKα","","0.045","0.0402","","","0.1055","0.1098","","","","","","1.089","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213789","13.527","0.003","14.982","0.003","15.036","0.003","62.09","0.03","67.21","0.03","74.82","0.03","2470.4","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H50 Mn3 N10 O22 -","- C42 H48 Mn3 N10 O21 -","- C84 H96 Mn6 N20 O42 -","2","1","","Li, Huijun; Xu, Zhouqing; Zhao, Bei; Jia, Yanyuan; Ding, Ran; Hou, Hongwei; Fan, Yaoting","Nuclearity control of manganese polymers dependent on structural differences in the coligands and magnetic properties studies","CrystEngComm","2014","16","12","2470","","10.1039/c3ce41553h","","","0.71073","MoKα","","0.088","0.0772","","","0.2068","0.2168","","","","","","1.067","","","","has coordinates,has disorder","180468","2020-10-21","18:00:00",""
"7213790","28.334","0.006","13.063","0.003","6.7989","0.0014","90","","90","","90","","2516.5","0.9","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C25 H27 Mn N5 O9 -","- C25 H27 Mn N5 O9 -","- C100 H108 Mn4 N20 O36 -","4","1","","Li, Huijun; Xu, Zhouqing; Zhao, Bei; Jia, Yanyuan; Ding, Ran; Hou, Hongwei; Fan, Yaoting","Nuclearity control of manganese polymers dependent on structural differences in the coligands and magnetic properties studies","CrystEngComm","2014","16","12","2470","","10.1039/c3ce41553h","","","0.71073","MoKα","","0.051","0.0435","","","0.0958","0.1107","","","","","","1.032","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213791","9.7736","0.0004","6.5159","0.0002","11.9527","0.0005","90","","105.729","0.002","90","","732.69","0.05","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H19 N O3 -","- C17 H19 N O3 -","- C34 H38 N2 O6 -","2","1","","Karmakar, Sibasree; Khanra, Sumit","Polynuclear coordination compounds: a magnetostructural study of ferromagnetically coupled Ni4O4 cubane core motif","CrystEngComm","2014","16","12","2371","","10.1039/c3ce41125g","","","0.71073","MoKα","","0.0349","0.0339","","","0.0964","0.099","","","","","","0.825","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213792","24.03","0.003","24.03","0.003","15.0512","0.0019","90","","90","","90","","8691.2","1.9","100","2","100","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C68 H72 N8 Ni4 O16 -","- C68 H72 N8 Ni4 O16 -","- C272 H288 N32 Ni16 O64 -","4","0.25","","Karmakar, Sibasree; Khanra, Sumit","Polynuclear coordination compounds: a magnetostructural study of ferromagnetically coupled Ni4O4 cubane core motif","CrystEngComm","2014","16","12","2371","","10.1039/c3ce41125g","","","0.71073","MoKα","","0.0931","0.0488","","","0.1235","0.1385","","","","","","0.936","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213793","23.871","0.0019","15.5094","0.0013","19.9409","0.0019","90","","107.492","0.005","90","","7041.2","1.1","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C56 H40 N8 Ni4 O20 -","- C56 H40 N8 Ni4 O20 -","- C224 H160 N32 Ni16 O80 -","4","1","","Karmakar, Sibasree; Khanra, Sumit","Polynuclear coordination compounds: a magnetostructural study of ferromagnetically coupled Ni4O4 cubane core motif","CrystEngComm","2014","16","12","2371","","10.1039/c3ce41125g","","","0.71073","MoKα","","0.0493","0.0391","","","0.101","0.1063","","","","","","1.048","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213794","26.43","0.0019","15.9077","0.0011","35.039","0.003","90","","109.497","0.001","90","","13887.1","1.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C67 H66 N12 Ni4 O20 -","- C67 H66 N12 Ni4 O20 -","- C536 H528 N96 Ni32 O160 -","8","1","","Karmakar, Sibasree; Khanra, Sumit","Polynuclear coordination compounds: a magnetostructural study of ferromagnetically coupled Ni4O4 cubane core motif","CrystEngComm","2014","16","12","2371","","10.1039/c3ce41125g","","","0.71073","MoKα","","0.068","0.0574","","","0.1302","0.136","","","","","","1.042","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213795","14.3328","0.0017","16.1942","0.0019","16.976","0.002","71.996","0.002","68.484","0.002","66.013","0.002","3289.3","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H84 N4 Ni4 O16 -","- C56 H84 N4 Ni4 O16 -","- C112 H168 N8 Ni8 O32 -","2","1","","Karmakar, Sibasree; Khanra, Sumit","Polynuclear coordination compounds: a magnetostructural study of ferromagnetically coupled Ni4O4 cubane core motif","CrystEngComm","2014","16","12","2371","","10.1039/c3ce41125g","","","0.71073","MoKα","","0.03","0.0242","","","0.0624","0.0643","","","","","","1.055","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213796","14.8226","0.0012","15.9005","0.0013","17.7741","0.0014","85.655","0.002","66.279","0.001","72.521","0.002","3653.2","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H74 N4 Ni4 O16 -","- C72 H74 N4 Ni4 O16 -","- C144 H148 N8 Ni8 O32 -","2","1","","Karmakar, Sibasree; Khanra, Sumit","Polynuclear coordination compounds: a magnetostructural study of ferromagnetically coupled Ni4O4 cubane core motif","CrystEngComm","2014","16","12","2371","","10.1039/c3ce41125g","","","0.71073","MoKα","","0.1314","0.1272","","","0.2762","0.2784","","","","","","1.055","","","","has coordinates,has disorder","180468","2020-10-21","18:00:00",""
"7213797","27.7056","0.0006","23.395","0.0006","21.0709","0.0004","90","","113.911","0.002","90","","12485.4","0.5","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C139 H58 O96 Tm12 -","- C139 H58 O96 Tm12 -","- C278 H116 O192 Tm24 -","2","0.25","","Zhang, Liying; Song, Tianyou; Xu, Jianing; Sun, Jiayin; Zeng, Shuangli; Wu, Yuncong; Fan, Yong; Wang, Li","Polymorphic Ln(iii) and BPTC-based porous metal‒organic frameworks with visible, NIR photoluminescent and magnetic properties","CrystEngComm","2014","16","12","2440","","10.1039/c3ce42181c","","","0.71073","MoKα","","0.0439","0.0326","","","0.0727","0.0757","","","","","","0.937","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213798","12.143","0.002","24.875","0.005","19.669","0.004","90","","102.9","0.03","90","","5791","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H6 Nd O10 -","- C16 H6 Nd O10 -","- C128 H48 Nd8 O80 -","8","1","","Zhang, Liying; Song, Tianyou; Xu, Jianing; Sun, Jiayin; Zeng, Shuangli; Wu, Yuncong; Fan, Yong; Wang, Li","Polymorphic Ln(iii) and BPTC-based porous metal‒organic frameworks with visible, NIR photoluminescent and magnetic properties","CrystEngComm","2014","16","12","2440","","10.1039/c3ce42181c","","","0.71073","MoKα","","0.0598","0.0504","","","0.1486","0.1536","","","","","","1.114","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213799","11.66","0.002","12.245","0.002","13.568","0.003","64.88","0.03","68.25","0.03","88.14","0.03","1611.1","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H18 Eu3 O26 -","- C48 H18 Eu3 O26 -","- C48 H18 Eu3 O26 -","1","0.5","","Zhang, Liying; Song, Tianyou; Xu, Jianing; Sun, Jiayin; Zeng, Shuangli; Wu, Yuncong; Fan, Yong; Wang, Li","Polymorphic Ln(iii) and BPTC-based porous metal‒organic frameworks with visible, NIR photoluminescent and magnetic properties","CrystEngComm","2014","16","12","2440","","10.1039/c3ce42181c","","","0.71073","MoKα","","0.0407","0.0325","","","0.0838","0.0995","","","","","","1.076","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213800","11.609","0.002","12.227","0.002","13.554","0.003","65","0.03","69.14","0.03","87.75","0.03","1615.2","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H18 O26 Tb3 -","- C48 H18 O26 Tb3 -","- C48 H18 O26 Tb3 -","1","0.5","","Zhang, Liying; Song, Tianyou; Xu, Jianing; Sun, Jiayin; Zeng, Shuangli; Wu, Yuncong; Fan, Yong; Wang, Li","Polymorphic Ln(iii) and BPTC-based porous metal‒organic frameworks with visible, NIR photoluminescent and magnetic properties","CrystEngComm","2014","16","12","2440","","10.1039/c3ce42181c","","","0.71073","MoKα","","0.0467","0.0393","","","0.1218","0.1247","","","","","","1.145","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213801","11.647","0.002","12.247","0.002","13.604","0.003","65.01","0.03","67.88","0.03","88.32","0.03","1609.8","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H18 N0 O26 Sm3 -","- C48 H18 O26 Sm3 -","- C48 H18 O26 Sm3 -","1","0.5","","Zhang, Liying; Song, Tianyou; Xu, Jianing; Sun, Jiayin; Zeng, Shuangli; Wu, Yuncong; Fan, Yong; Wang, Li","Polymorphic Ln(iii) and BPTC-based porous metal‒organic frameworks with visible, NIR photoluminescent and magnetic properties","CrystEngComm","2014","16","12","2440","","10.1039/c3ce42181c","","","0.71073","MoKα","","0.0309","0.0274","","","0.0882","0.0899","","","","","","1.098","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213802","11.5976","0.0011","12.213","0.0011","13.5187","0.0012","65.039","0.006","68.351","0.006","87.858","0.006","1597.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H18 Dy3 N0 O26 -","- C48 H18 Dy3 O26 -","- C48 H18 Dy3 O26 -","1","0.5","","Zhang, Liying; Song, Tianyou; Xu, Jianing; Sun, Jiayin; Zeng, Shuangli; Wu, Yuncong; Fan, Yong; Wang, Li","Polymorphic Ln(iii) and BPTC-based porous metal‒organic frameworks with visible, NIR photoluminescent and magnetic properties","CrystEngComm","2014","16","12","2440","","10.1039/c3ce42181c","","","0.71073","MoKα","","0.0428","0.0333","","","0.0802","0.083","","","","","","0.927","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213803","19.318","0.004","14.082","0.003","8.8793","0.0018","90","","100.31","0.03","90","","2376.5","0.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H6 Er2 O16 -","- C19 H6 Er2 O16 -","- C76 H24 Er8 O64 -","4","0.5","","Zhang, Liying; Song, Tianyou; Xu, Jianing; Sun, Jiayin; Zeng, Shuangli; Wu, Yuncong; Fan, Yong; Wang, Li","Polymorphic Ln(iii) and BPTC-based porous metal‒organic frameworks with visible, NIR photoluminescent and magnetic properties","CrystEngComm","2014","16","12","2440","","10.1039/c3ce42181c","","","0.71073","MoKα","","0.0206","0.0193","","","0.0471","0.0476","","","","","","1.099","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213804","10.5171","0.0004","18.7049","0.0006","10.6498","0.0006","90","","102.156","0.004","90","","2048.07","0.16","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 N2 O8 -","- C24 H20 N2 O8 -","- C96 H80 N8 O32 -","4","1","","Jia, Chunmei; Lin, Qiang; Yuan, Wenbing","A series of coordination polymers constructed by a flexible tetracarboxylic acid: synthesis, structural diversity and luminescent properties","CrystEngComm","2014","16","12","2508","","10.1039/c3ce42127a","","","0.71073","MoKα","","0.0924","0.0494","","","0.0809","0.096","","","","","","1.001","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213805","19.8521","0.0019","17.5183","0.001","10.0543","0.0006","90","","90.024","0.007","90","","3496.6","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H18 Co N O9 -","- C12 H16 Co N O9 -","- C96 H128 Co8 N8 O72 -","8","1","","Jia, Chunmei; Lin, Qiang; Yuan, Wenbing","A series of coordination polymers constructed by a flexible tetracarboxylic acid: synthesis, structural diversity and luminescent properties","CrystEngComm","2014","16","12","2508","","10.1039/c3ce42127a","","","0.71073","MoKα","","0.0989","0.0776","","","0.1738","0.188","","","","","","1.056","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213806","19.9019","0.0015","17.4988","0.0009","10.0418","0.0004","90","","90.003","0.005","90","","3497.2","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H18 Mn N O9 -","- C12 H16 Mn N O9 -","- C96 H128 Mn8 N8 O72 -","8","1","","Jia, Chunmei; Lin, Qiang; Yuan, Wenbing","A series of coordination polymers constructed by a flexible tetracarboxylic acid: synthesis, structural diversity and luminescent properties","CrystEngComm","2014","16","12","2508","","10.1039/c3ce42127a","","","0.71073","MoKα","","0.0911","0.0711","","","0.1638","0.1718","","","","","","1.035","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213807","20.073","0.009","17.96","0.008","10.293","0.006","90","","94.471","0.01","90","","3699","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H16 Cd N O8 -","- C12 H16 Cd N O8 -","- C96 H128 Cd8 N8 O64 -","8","1","","Jia, Chunmei; Lin, Qiang; Yuan, Wenbing","A series of coordination polymers constructed by a flexible tetracarboxylic acid: synthesis, structural diversity and luminescent properties","CrystEngComm","2014","16","12","2508","","10.1039/c3ce42127a","","","0.71073","MoKα","","0.1119","0.0795","","","0.1821","0.1961","","","","","","1.062","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213808","27.733","0.015","10.217","0.006","14.405","0.008","90","","92.45","0.009","90","","4078","4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H32 N6 O11 Zn2 -","- C44 H32 N6 O11 Zn2 -","- C176 H128 N24 O44 Zn8 -","4","0.5","","Jia, Chunmei; Lin, Qiang; Yuan, Wenbing","A series of coordination polymers constructed by a flexible tetracarboxylic acid: synthesis, structural diversity and luminescent properties","CrystEngComm","2014","16","12","2508","","10.1039/c3ce42127a","","","0.71073","MoKα","","0.0745","0.0527","","","0.1482","0.1624","","","","","","1.057","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213809","10.235","0.005","9.554","0.005","24.242","0.009","90","","112.62","0.016","90","","2188.2","1.8","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C44 H42 Cd2 N6 O13 -","- C44 H36 Cd2 N6 O13 -","- C88 H72 Cd4 N12 O26 -","2","0.5","","Jia, Chunmei; Lin, Qiang; Yuan, Wenbing","A series of coordination polymers constructed by a flexible tetracarboxylic acid: synthesis, structural diversity and luminescent properties","CrystEngComm","2014","16","12","2508","","10.1039/c3ce42127a","","","0.71073","MoKα","","0.0483","0.0384","","","0.0971","0.1027","","","","","","1.014","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213810","27.937","0.008","10.472","0.003","14.34","0.005","90","","90.467","0.007","90","","4195","2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 N3 O5 Zn -","- C24 H16 N3 O5 Zn -","- C192 H128 N24 O40 Zn8 -","8","1","","Jia, Chunmei; Lin, Qiang; Yuan, Wenbing","A series of coordination polymers constructed by a flexible tetracarboxylic acid: synthesis, structural diversity and luminescent properties","CrystEngComm","2014","16","12","2508","","10.1039/c3ce42127a","","","0.71073","MoKα","","0.0987","0.0546","","","0.1234","0.1392","","","","","","1.035","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213811","10.746","0.004","15.84","0.005","15.859","0.006","90","","130.94","0.04","90","","2039.2","1.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Cu N3 O5 -","- C24 H18 Cu N3 O5 -","- C96 H72 Cu4 N12 O20 -","4","1","","Jia, Chunmei; Lin, Qiang; Yuan, Wenbing","A series of coordination polymers constructed by a flexible tetracarboxylic acid: synthesis, structural diversity and luminescent properties","CrystEngComm","2014","16","12","2508","","10.1039/c3ce42127a","","","0.71073","MoKα","","0.0512","0.0388","","","0.0907","0.0972","","","","","","1.014","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213812","28.13","0.004","9.703","0.005","15.619","0.006","90","","100.37","0.03","90","","4193","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H18 N3 Ni O6 -","- C22 H18 N3 Ni O6 -","- C176 H144 N24 Ni8 O48 -","8","1","","Jia, Chunmei; Lin, Qiang; Yuan, Wenbing","A series of coordination polymers constructed by a flexible tetracarboxylic acid: synthesis, structural diversity and luminescent properties","CrystEngComm","2014","16","12","2508","","10.1039/c3ce42127a","","","0.71073","MoKα","","0.1319","0.0631","","","0.1327","0.1569","","","","","","1.033","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213813","10.523","0.004","16.289","0.007","11.71","0.004","90","","91.087","0.007","90","","2006.8","1.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 N3 O5 Zn -","- C24 H18 N3 O5 Zn -","- C96 H72 N12 O20 Zn4 -","4","1","","Jia, Chunmei; Lin, Qiang; Yuan, Wenbing","A series of coordination polymers constructed by a flexible tetracarboxylic acid: synthesis, structural diversity and luminescent properties","CrystEngComm","2014","16","12","2508","","10.1039/c3ce42127a","","","0.71073","MoKα","","0.0832","0.0525","","","0.1122","0.1274","","","","","","0.977","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213814","11.405","0.0008","11.156","0.0008","15.193","0.0011","90","","94.211","0.001","90","","1927.9","0.2","296","2","296","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C44 H34 Cu N6 O8 -","- C44 H34 Cu N6 O8 -","- C88 H68 Cu2 N12 O16 -","2","1","","Jia, Chunmei; Lin, Qiang; Yuan, Wenbing","A series of coordination polymers constructed by a flexible tetracarboxylic acid: synthesis, structural diversity and luminescent properties","CrystEngComm","2014","16","12","2508","","10.1039/c3ce42127a","","","0.71073","MoKα","","0.0625","0.0402","","","0.0731","0.0786","","","","","","1.005","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213815","14.424","0.005","16.241","0.006","16.635","0.01","104.014","0.009","105.078","0.009","109.873","0.006","3296","3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H49 N5 O4 -","- C33 H49 N5 O4 -","- C132 H196 N20 O16 -","4","2","","Maity, Suman Kumar; Bera, Santu; Paikar, Arpita; Pramanik, Apurba; Haldar, Debasish","Fabrication of self-assembled peptidomimetic microspheres and hydrogen peroxide responsive release of nicotinamide","CrystEngComm","2014","16","12","2527","","10.1039/c3ce41796d","","","0.71073","MoKα","","0.1274","0.0887","","","0.2717","0.3288","","","","","","1.258","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213816","7.1357","0.0005","20.7857","0.0012","7.6013","0.0004","90","","116.33","0.003","90","","1010.46","0.11","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 N3 O4 -","- C9 H9 N3 O4 -","- C36 H36 N12 O16 -","4","1","","Maity, Suman Kumar; Bera, Santu; Paikar, Arpita; Pramanik, Apurba; Haldar, Debasish","Fabrication of self-assembled peptidomimetic microspheres and hydrogen peroxide responsive release of nicotinamide","CrystEngComm","2014","16","12","2527","","10.1039/c3ce41796d","","","0.71073","MoKα","","0.0806","0.0582","","","0.1594","0.1824","","","","","","0.923","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213817","13.466","0.005","9.033","0.003","18.952","0.007","90","","95.102","0.005","90","","2296.2","1.4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 Cl2 N6 O3 S4 U -","- C14 H12 Cl2 N6 O3 S4 U -","- C56 H48 Cl8 N24 O12 S16 U4 -","4","0.5","","Surbella III, Robert G.; Cahill, Christopher L.","The exploration of supramolecular interactions stemming from the [UO2(NCS)4(H2O)]2− tecton and substituted pyridinium cations","CrystEngComm","2014","16","12","2352","","10.1039/c3ce42106f","","x-ray","0.71073","MoKα","","0.0354","0.0281","","","0.0541","0.0561","","","","","","1.008","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213818","6.4685","0.0013","15.007","0.003","25.732","0.005","90","","90","","90","","2497.9","0.9","100","2","100","2","","","","","","","","7","P b c m","-P 2c 2b","57","","","","- C14 H14 Br2 N6 O4 S4 U -","- C14 H10 Br2 N6 O4 S4 U -","- C56 H40 Br8 N24 O16 S16 U4 -","4","0.5","","Surbella III, Robert G.; Cahill, Christopher L.","The exploration of supramolecular interactions stemming from the [UO2(NCS)4(H2O)]2− tecton and substituted pyridinium cations","CrystEngComm","2014","16","12","2352","","10.1039/c3ce42106f","","x-ray","0.71073","MoKα","","0.0313","0.0243","","","0.0526","0.0549","","","","","","1.057","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213819","6.6151","0.0018","14.993","0.004","25.896","0.007","90","","91.068","0.004","90","","2567.9","1.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 I2 N6 O4 S4 U -","- C14 H10 I2 N6 O4 S4 U -","- C56 H40 I8 N24 O16 S16 U4 -","4","1","","Surbella III, Robert G.; Cahill, Christopher L.","The exploration of supramolecular interactions stemming from the [UO2(NCS)4(H2O)]2− tecton and substituted pyridinium cations","CrystEngComm","2014","16","12","2352","","10.1039/c3ce42106f","","x-ray","0.71073","MoKα","","0.0736","0.057","","","0.1276","0.1333","","","","","","1.15","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213820","6.7452","0.0004","15.1032","0.0008","25.9377","0.0014","90","","90","","90","","2642.4","0.3","293","2","293","2","","","","","","","","7","P b c m","-P 2c 2b","57","","","","- C14 H14 I2 N6 O4 S4 U -","- C14 H10 I2 N6 O4 S4 U -","- C56 H40 I8 N24 O16 S16 U4 -","4","0.5","","Surbella III, Robert G.; Cahill, Christopher L.","The exploration of supramolecular interactions stemming from the [UO2(NCS)4(H2O)]2− tecton and substituted pyridinium cations","CrystEngComm","2014","16","12","2352","","10.1039/c3ce42106f","","x-ray","0.71073","MoKα","","0.072","0.0358","","","0.0648","0.0752","","","","","","1.001","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213821","13.407","0.003","8.8724","0.0017","24.9","0.005","90","","102.363","0.003","90","","2893.2","1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 N8 O7 S6 U -","- C16 H10 N8 O7 S6 U -","- C64 H40 N32 O28 S24 U4 -","4","0.5","","Surbella III, Robert G.; Cahill, Christopher L.","The exploration of supramolecular interactions stemming from the [UO2(NCS)4(H2O)]2− tecton and substituted pyridinium cations","CrystEngComm","2014","16","12","2352","","10.1039/c3ce42106f","","x-ray","0.71073","MoKα","","0.0338","0.0317","","","0.0765","0.0775","","","","","","1.032","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213822","14.654","0.002","9.0207","0.0014","17.766","0.003","90","","92.078","0.002","90","","2346.9","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H18 N6 O3 S4 U -","- C16 H16 N6 O3 S4 U -","- C64 H64 N24 O12 S16 U4 -","4","0.5","","Surbella III, Robert G.; Cahill, Christopher L.","The exploration of supramolecular interactions stemming from the [UO2(NCS)4(H2O)]2− tecton and substituted pyridinium cations","CrystEngComm","2014","16","12","2352","","10.1039/c3ce42106f","","x-ray","0.71073","MoKα","","0.0264","0.0223","","","0.0449","0.046","","","","","","1.067","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213823","8.761","0.002","16.018","0.004","16.129","0.004","90","","95.282","0.004","90","","2253.8","0.9","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C16 H18 N6 O3 S4 U -","- C16 H16 N6 O3 S4 U -","- C64 H64 N24 O12 S16 U4 -","4","1","","Surbella III, Robert G.; Cahill, Christopher L.","The exploration of supramolecular interactions stemming from the [UO2(NCS)4(H2O)]2− tecton and substituted pyridinium cations","CrystEngComm","2014","16","12","2352","","10.1039/c3ce42106f","","x-ray","0.71073","MoKα","","0.0591","0.0418","","","0.0909","0.0986","","","","","","1.031","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213824","8.758","0.0007","16.0178","0.0014","16.1291","0.0014","90","","95.253","0.001","90","","2253.2","0.3","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C14 H16 N8 O3 S4 U -","- C14 H14 N8 O3 S4 U -","- C56 H56 N32 O12 S16 U4 -","4","1","","Surbella III, Robert G.; Cahill, Christopher L.","The exploration of supramolecular interactions stemming from the [UO2(NCS)4(H2O)]2− tecton and substituted pyridinium cations","CrystEngComm","2014","16","12","2352","","10.1039/c3ce42106f","","x-ray","0.71073","MoKα","","0.0497","0.0345","","","0.0594","0.0631","","","","","","1.061","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213825","13.3879","0.0015","8.6863","0.001","23.486","0.003","90","","98.305","0.001","90","","2702.6","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H24 N8 O3 S4 U -","- C18 H22 N8 O3 S4 U -","- C72 H88 N32 O12 S16 U4 -","4","0.5","","Surbella III, Robert G.; Cahill, Christopher L.","The exploration of supramolecular interactions stemming from the [UO2(NCS)4(H2O)]2− tecton and substituted pyridinium cations","CrystEngComm","2014","16","12","2352","","10.1039/c3ce42106f","","x-ray","0.71073","MoKα","","0.0156","0.0151","","","0.0345","0.0347","","","","","","1.215","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213826","8.4358","0.0018","10.074","0.002","15.079","0.003","71.071","0.005","87.931","0.006","67.631","0.006","1115.3","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H21 N3 O9 Zn1.5 -","- C22 H21 N3 O9 Zn1.5 -","- C44 H42 N6 O18 Zn3 -","2","1","","Niu, Yan-Fei; Zhao, Wen; Han, Jie; GeTian,; Zhao, Xiao-Li","Unprecedented metal-ion metathesis in a metal‒carboxylate chain-based metal‒organic framework","CrystEngComm","2014","16","12","2344","","10.1039/c3ce42214c","","","0.71073","MoKα","","0.0445","0.0411","","","0.1209","0.1268","","","","","","1.114","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213827","6.4411","0.0004","6.8211","0.0004","10.012","0.0006","94.14","0.003","93.01","0.003","117.31","0.003","388.01","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H5 N O5 Sr -","- C7 H5 N O5 Sr -","- C14 H10 N2 O10 Sr2 -","2","1","","Chen, Yanmei; She, Shixiong; Gao, Qian; Gao, Dandan; Wang, Derong; Li, Yahong; Liu, Wei; Li, Wu","Synthesis, structures and properties of the first series of SrII‒MII (M = Cu, Co, Ni and Zn) coordination polymers based on pyridine-2,5-dicarboxylic acid","CrystEngComm","2014","16","6","1091","","10.1039/c3ce41975d","","","0.71073","MoKα","","0.0186","0.0181","","","0.0488","0.0491","","","","","","1.169","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213828","7.4636","0.0015","10.502","0.002","11.744","0.002","98.5","0.03","94.57","0.03","92.14","0.03","906.4","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H14 Cu N2 O12 Sr -","- C14 H14 Cu N2 O12 Sr -","- C28 H28 Cu2 N4 O24 Sr2 -","2","1","","Chen, Yanmei; She, Shixiong; Gao, Qian; Gao, Dandan; Wang, Derong; Li, Yahong; Liu, Wei; Li, Wu","Synthesis, structures and properties of the first series of SrII‒MII (M = Cu, Co, Ni and Zn) coordination polymers based on pyridine-2,5-dicarboxylic acid","CrystEngComm","2014","16","6","1091","","10.1039/c3ce41975d","","","0.71073","MoKα","","0.029","0.022","","","0.0568","0.0594","","","","","","1.023","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213829","7.3083","0.0005","12.0765","0.0009","13.4566","0.0009","112.818","0.001","95.89","0.001","103.909","0.001","1036.85","0.13","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H38 Co2 N4 O29 Sr2 -","- C28 H38 Co2 N4 O29 Sr2 -","- C28 H38 Co2 N4 O29 Sr2 -","1","0.5","","Chen, Yanmei; She, Shixiong; Gao, Qian; Gao, Dandan; Wang, Derong; Li, Yahong; Liu, Wei; Li, Wu","Synthesis, structures and properties of the first series of SrII‒MII (M = Cu, Co, Ni and Zn) coordination polymers based on pyridine-2,5-dicarboxylic acid","CrystEngComm","2014","16","6","1091","","10.1039/c3ce41975d","","","0.71073","MoKα","","0.0376","0.0281","","","0.0619","0.0654","","","","","","1.009","","","","has coordinates,has disorder","180469","2020-10-21","18:00:00",""
"7213830","18.324","0.003","13.794","0.003","8.7635","0.0017","90","","107.405","0.003","90","","2113.7","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H20 N2 Ni O15 Sr -","- C14 H20 N2 Ni O15 Sr -","- C56 H80 N8 Ni4 O60 Sr4 -","4","0.5","","Chen, Yanmei; She, Shixiong; Gao, Qian; Gao, Dandan; Wang, Derong; Li, Yahong; Liu, Wei; Li, Wu","Synthesis, structures and properties of the first series of SrII‒MII (M = Cu, Co, Ni and Zn) coordination polymers based on pyridine-2,5-dicarboxylic acid","CrystEngComm","2014","16","6","1091","","10.1039/c3ce41975d","","","0.71073","MoKα","","0.04","0.0336","","","0.0936","0.0967","","","","","","1.048","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213831","7.323","0.004","22.223","0.011","16.991","0.009","90","","90","","90","","2765","3","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C14 H28 N2 Ni O19 Sr -","- C14 H27 N2 Ni O19 Sr -","- C56 H108 N8 Ni4 O76 Sr4 -","4","0.5","","Chen, Yanmei; She, Shixiong; Gao, Qian; Gao, Dandan; Wang, Derong; Li, Yahong; Liu, Wei; Li, Wu","Synthesis, structures and properties of the first series of SrII‒MII (M = Cu, Co, Ni and Zn) coordination polymers based on pyridine-2,5-dicarboxylic acid","CrystEngComm","2014","16","6","1091","","10.1039/c3ce41975d","","","0.71073","MoKα","","0.0412","0.0342","","","0.1276","0.1323","","","","","","1.16","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213832","8.5324","0.0013","22.302","0.003","16.57","0.002","90","","93.783","0.003","90","","3146.2","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H29 N3 Ni O22 Sr2 -","- C21 H29 N3 Ni O22 Sr2 -","- C84 H116 N12 Ni4 O88 Sr8 -","4","1","","Chen, Yanmei; She, Shixiong; Gao, Qian; Gao, Dandan; Wang, Derong; Li, Yahong; Liu, Wei; Li, Wu","Synthesis, structures and properties of the first series of SrII‒MII (M = Cu, Co, Ni and Zn) coordination polymers based on pyridine-2,5-dicarboxylic acid","CrystEngComm","2014","16","6","1091","","10.1039/c3ce41975d","","","0.71073","MoKα","","0.0534","0.0334","","","0.0681","0.0745","","","","","","1.011","","","","has coordinates,has disorder","180469","2020-10-21","18:00:00",""
"7213833","7.917","0.004","10.835","0.005","20.769","0.01","90","","92.825","0.01","90","","1779.4","1.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 N2 O13 Sr Zn -","- C14 H14 N2 O13 Sr Zn -","- C56 H56 N8 O52 Sr4 Zn4 -","4","1","","Chen, Yanmei; She, Shixiong; Gao, Qian; Gao, Dandan; Wang, Derong; Li, Yahong; Liu, Wei; Li, Wu","Synthesis, structures and properties of the first series of SrII‒MII (M = Cu, Co, Ni and Zn) coordination polymers based on pyridine-2,5-dicarboxylic acid","CrystEngComm","2014","16","6","1091","","10.1039/c3ce41975d","","","0.71073","MoKα","","0.0479","0.0378","","","0.1015","0.1107","","","","","","1.06","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213834","16.484","0.003","14.875","0.003","26.826","0.005","90","","90","","90","","6578","2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H33 N3 O24 Sr2 Zn -","- C21 H31 N3 O24 Sr2 Zn -","- C168 H248 N24 O192 Sr16 Zn8 -","8","1","","Chen, Yanmei; She, Shixiong; Gao, Qian; Gao, Dandan; Wang, Derong; Li, Yahong; Liu, Wei; Li, Wu","Synthesis, structures and properties of the first series of SrII‒MII (M = Cu, Co, Ni and Zn) coordination polymers based on pyridine-2,5-dicarboxylic acid","CrystEngComm","2014","16","6","1091","","10.1039/c3ce41975d","","","0.71073","MoKα","","0.0354","0.0248","","","0.0551","0.0586","","","","","","1.027","","","","has coordinates,has disorder","180469","2020-10-21","18:00:00",""
"7213835","9.86","0.002","13.113","0.003","11.65","0.002","90","","101.99","0.03","90","","1473.4","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Cd N2 O6 -","- C12 H12 Cd N2 O6 -","- C48 H48 Cd4 N8 O24 -","4","1","","Gao, Song; Fan, Rui-Qing; Qiang, Liang-Sheng; Wang, Ping; Chen, Shuo; Wang, Xin-Ming; Yang, Yu-Lin","Effects of solvents and temperature on the luminescence properties of Cd-isonicotinic acid frameworks based on mono-, bi-, and trinuclear cluster units","CrystEngComm","2014","16","6","1113","","10.1039/c3ce42216j","","","0.71073","MoKα","","0.1051","0.1022","","","0.2763","0.2771","","","","","","1.078","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213836","10.39","0.002","12.295","0.003","12.497","0.003","79.31","0.03","68.2","0.03","69.58","0.03","1386.2","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H22 Cd2 N4 O10 S -","- C18 H22 Cd2 N4 O10 S -","- C36 H44 Cd4 N8 O20 S2 -","2","1","","Gao, Song; Fan, Rui-Qing; Qiang, Liang-Sheng; Wang, Ping; Chen, Shuo; Wang, Xin-Ming; Yang, Yu-Lin","Effects of solvents and temperature on the luminescence properties of Cd-isonicotinic acid frameworks based on mono-, bi-, and trinuclear cluster units","CrystEngComm","2014","16","6","1113","","10.1039/c3ce42216j","","","0.71073","MoKα","","0.0832","0.0555","","","0.1563","0.1735","","","","","","1.057","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213837","12.048","0.002","12.28","0.003","19.092","0.004","91.92","0.03","98.1","0.03","117.88","0.03","2455.9","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H23 Cd3 N5.5 O11.5 -","- C33 H21 Cd3 N5.5 O11.5 -","- C66 H42 Cd6 N11 O23 -","2","1","","Gao, Song; Fan, Rui-Qing; Qiang, Liang-Sheng; Wang, Ping; Chen, Shuo; Wang, Xin-Ming; Yang, Yu-Lin","Effects of solvents and temperature on the luminescence properties of Cd-isonicotinic acid frameworks based on mono-, bi-, and trinuclear cluster units","CrystEngComm","2014","16","6","1113","","10.1039/c3ce42216j","","","0.71073","MoKα","","0.045","0.0405","","","0.1332","0.1378","","","","","","1.063","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7213838","8.8851","0.0004","14.3096","0.0004","8.3842","0.0004","90","","93.12","0.005","90","","1064.41","0.08","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Cu N6 O10 -","- C22 H16 Cu N6 O10 -","- C44 H32 Cu2 N12 O20 -","2","0.5","","Yang, Yan; Yang, Jin; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A series of coordination polymers constructed by the semi-rigid bifunctional ligand 5-((1H-1,2,4-triazol-1-yl)methoxy) isophthalic acid: syntheses, structures and the role of solvents","CrystEngComm","2014","16","6","1136","","10.1039/c3ce42048e","","","0.71073","MoKα","","0.0545","0.0355","","","0.0689","0.0752","","","","","","1.006","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213839","8.4928","0.0005","9.6404","0.0006","12.5967","0.0008","68.102","0.006","71.434","0.006","64.579","0.006","848.72","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H34 Cu N8 O12 -","- C30 H34 Cu N8 O12 -","- C30 H34 Cu N8 O12 -","1","0.5","","Yang, Yan; Yang, Jin; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A series of coordination polymers constructed by the semi-rigid bifunctional ligand 5-((1H-1,2,4-triazol-1-yl)methoxy) isophthalic acid: syntheses, structures and the role of solvents","CrystEngComm","2014","16","6","1136","","10.1039/c3ce42048e","","","0.71073","MoKα","","0.0582","0.0429","","","0.0894","0.099","","","","","","1.061","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213840","9.4293","0.0004","10.2259","0.0005","17.1533","0.0011","91.634","0.005","99.933","0.004","93.062","0.004","1625.66","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 Co2 N8 O12 -","- C28 H21 Co2 N8 O12 -","- C56 H42 Co4 N16 O24 -","2","1","","Yang, Yan; Yang, Jin; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A series of coordination polymers constructed by the semi-rigid bifunctional ligand 5-((1H-1,2,4-triazol-1-yl)methoxy) isophthalic acid: syntheses, structures and the role of solvents","CrystEngComm","2014","16","6","1136","","10.1039/c3ce42048e","","","0.71073","MoKα","","0.0932","0.0545","","","0.099","0.1145","","","","","","1.042","","","","has coordinates,has disorder","180469","2020-10-21","18:00:00",""
"7213841","9.3382","0.001","9.6636","0.0009","10.2665","0.0011","98.072","0.008","95.881","0.009","101.077","0.009","892.16","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 Co N4 O8 -","- C14 H18 Co N4 O8 -","- C28 H36 Co2 N8 O16 -","2","1","","Yang, Yan; Yang, Jin; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A series of coordination polymers constructed by the semi-rigid bifunctional ligand 5-((1H-1,2,4-triazol-1-yl)methoxy) isophthalic acid: syntheses, structures and the role of solvents","CrystEngComm","2014","16","6","1136","","10.1039/c3ce42048e","","","0.71073","MoKα","","0.0388","0.034","","","0.0845","0.089","","","","","","1.046","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213842","11.0788","0.0004","12.6965","0.001","12.7879","0.0006","65.776","0.006","86.62","0.003","83.387","0.004","1629.34","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H62 Co5 N16 O28 -","- C56 H62 Co5 N16 O28 -","- C56 H62 Co5 N16 O28 -","1","0.5","","Yang, Yan; Yang, Jin; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A series of coordination polymers constructed by the semi-rigid bifunctional ligand 5-((1H-1,2,4-triazol-1-yl)methoxy) isophthalic acid: syntheses, structures and the role of solvents","CrystEngComm","2014","16","6","1136","","10.1039/c3ce42048e","","","0.71073","MoKα","","0.0666","0.0473","","","0.1092","0.1202","","","","","","1.015","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213843","8.912","0.0005","10.0898","0.0006","10.3129","0.0004","67.551","0.004","67.6","0.005","77.935","0.005","790.2","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H14 Cd N4 O6 -","- C14 H14 Cd N4 O6 -","- C28 H28 Cd2 N8 O12 -","2","1","","Yang, Yan; Yang, Jin; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A series of coordination polymers constructed by the semi-rigid bifunctional ligand 5-((1H-1,2,4-triazol-1-yl)methoxy) isophthalic acid: syntheses, structures and the role of solvents","CrystEngComm","2014","16","6","1136","","10.1039/c3ce42048e","","","0.71073","MoKα","","0.0321","0.0275","","","0.0622","0.0646","","","","","","1.038","","","","has coordinates,has disorder","180469","2020-10-21","18:00:00",""
"7213844","8.8056","0.0007","17.5516","0.0011","13.9196","0.0011","90","","126.483","0.005","90","","1729.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 Cd N4 O6 -","- C15 H16 Cd N4 O6 -","- C60 H64 Cd4 N16 O24 -","4","1","","Yang, Yan; Yang, Jin; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A series of coordination polymers constructed by the semi-rigid bifunctional ligand 5-((1H-1,2,4-triazol-1-yl)methoxy) isophthalic acid: syntheses, structures and the role of solvents","CrystEngComm","2014","16","6","1136","","10.1039/c3ce42048e","","","0.71073","MoKα","","0.0666","0.0442","","","0.0959","0.107","","","","","","1.07","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213845","7.8508","0.0005","17.7308","0.001","10.7154","0.0007","90","","93.285","0.006","90","","1489.14","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 Cd2 N6 O17 -","- C22 H28 Cd2 N6 O17 -","- C44 H56 Cd4 N12 O34 -","2","0.5","","Yang, Yan; Yang, Jin; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A series of coordination polymers constructed by the semi-rigid bifunctional ligand 5-((1H-1,2,4-triazol-1-yl)methoxy) isophthalic acid: syntheses, structures and the role of solvents","CrystEngComm","2014","16","6","1136","","10.1039/c3ce42048e","","","0.71073","MoKα","","0.0347","0.0275","","","0.0574","0.0625","","","","","","1.058","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213846","7.8034","0.0004","17.5927","0.0009","10.5797","0.0005","90","","93.25","0.005","90","","1450.08","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 Mn2 N6 O17 -","- C22 H28 Mn2 N6 O17 -","- C44 H56 Mn4 N12 O34 -","2","0.5","","Yang, Yan; Yang, Jin; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A series of coordination polymers constructed by the semi-rigid bifunctional ligand 5-((1H-1,2,4-triazol-1-yl)methoxy) isophthalic acid: syntheses, structures and the role of solvents","CrystEngComm","2014","16","6","1136","","10.1039/c3ce42048e","","","0.71073","MoKα","","0.0383","0.0333","","","0.0851","0.0886","","","","","","1.06","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213847","9.7401","0.0003","15.6078","0.0003","16.5583","0.0004","90","","123.019","0.002","90","","2110.66","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 Mn N5 O7 -","- C17 H13 Mn N5 O7 -","- C68 H52 Mn4 N20 O28 -","4","1","","Yang, Yan; Yang, Jin; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A series of coordination polymers constructed by the semi-rigid bifunctional ligand 5-((1H-1,2,4-triazol-1-yl)methoxy) isophthalic acid: syntheses, structures and the role of solvents","CrystEngComm","2014","16","6","1136","","10.1039/c3ce42048e","","","0.71073","MoKα","","0.0511","0.0412","","","0.1074","0.1141","","","","","","1.043","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7213848","11.435","0.0007","5.204","0.0002","16.4787","0.001","90","","124.283","0.004","90","","810.24","0.09","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H7 N O4 P Zn -","- C5 H7 N O4 P Zn -","- C20 H28 N4 O16 P4 Zn4 -","4","1","","Tian, Jumei; Li, Bo; Zhang, Xiaoying; Zhang, Jingping","Transition metal phosphite complexes: from one-dimensional chain, two-dimensional sheet, to three-dimensional architecture with unusual magnetic properties","CrystEngComm","2014","16","6","1071","","10.1039/c3ce41741g","","","0.71073","MoKα","","0.0539","0.0456","","","0.1128","0.1224","","","","","","1.081","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213849","16.696","","14.997","","7.4","","90","","104.42","","90","","1794.51","","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C10 H15 N2 Ni O10 P -","- C10 H15 N2 Ni O10 P -","- C40 H60 N8 Ni4 O40 P4 -","4","1","","Tian, Jumei; Li, Bo; Zhang, Xiaoying; Zhang, Jingping","Transition metal phosphite complexes: from one-dimensional chain, two-dimensional sheet, to three-dimensional architecture with unusual magnetic properties","CrystEngComm","2014","16","6","1071","","10.1039/c3ce41741g","","","0.71073","MoKα","","0.0597","0.0553","","","0.1455","0.1487","","","","","","1.034","","","","has coordinates,has disorder","180469","2020-10-21","18:00:00",""
"7213850","17.189","0.005","14.748","0.005","7.469","0.005","90","","100.047","0.005","90","","1864.4","1.5","195","2","195","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C20 H30 Co2 N4 O21 P2 -","- C20 H30 Co2 N4 O21 P2 -","- C40 H60 Co4 N8 O42 P4 -","2","0.5","","Tian, Jumei; Li, Bo; Zhang, Xiaoying; Zhang, Jingping","Transition metal phosphite complexes: from one-dimensional chain, two-dimensional sheet, to three-dimensional architecture with unusual magnetic properties","CrystEngComm","2014","16","6","1071","","10.1039/c3ce41741g","","","0.71069","MoKα","","0.0598","0.0541","","","0.1285","0.1321","","","","","","1.053","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213851","11.032","0.0005","11.032","0.0005","22.838","0.0013","90","","90","","120","","2407.1","0.2","293","2","293","2","","","","","","","","6","P 6/m c c","-P 6 2c","192","","","","- C30 H42 Co3 N6 O15 P2 -","- C30 H36 Co3 N6 O14.996 P2 -","- C60 H72 Co6 N12 O29.992 P4 -","2","0.0833333","","Tian, Jumei; Li, Bo; Zhang, Xiaoying; Zhang, Jingping","Transition metal phosphite complexes: from one-dimensional chain, two-dimensional sheet, to three-dimensional architecture with unusual magnetic properties","CrystEngComm","2014","16","6","1071","","10.1039/c3ce41741g","","","0.71073","MoKα","","0.0808","0.0661","","","0.1503","0.1584","","","","","","1.015","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213852","7.9316","0.0004","11.5548","0.0003","20.3743","0.001","87.909","0.003","80.351","0.004","75.405","0.003","1781.41","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H37 N6 O11 Zn2 -","- C34 H29 N6 O11 Zn2 -","- C68 H58 N12 O22 Zn4 -","2","1","","Wu, Hua; Lü, Xiao-Li; Yang, Chun-Long; Dong, Chang-Xun; Wu, Mei-Sheng","Diverse topologies of seven d10 coordination polymers constructed from a long ligand and different carboxylates","CrystEngComm","2014","16","6","992","","10.1039/c3ce41974f","","","0.71073","MoKα","","0.0656","0.0379","","","0.0772","0.0824","","","","","","0.883","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213853","10.088","0.0004","10.185","0.0004","15.041","0.0007","109.498","0.004","92.338","0.004","115.87","0.09","1278.7","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H30 N6 O6 Zn -","- C22 H30 N6 O6 Zn -","- C44 H60 N12 O12 Zn2 -","2","1","","Wu, Hua; Lü, Xiao-Li; Yang, Chun-Long; Dong, Chang-Xun; Wu, Mei-Sheng","Diverse topologies of seven d10 coordination polymers constructed from a long ligand and different carboxylates","CrystEngComm","2014","16","6","992","","10.1039/c3ce41974f","","","0.71073","MoKα","","0.0563","0.04","","","0.1082","0.1125","","","","","","0.939","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213854","10.142","0.002","11.524","0.002","11.819","0.002","85.816","0.015","88.121","0.017","77.469","0.017","1344.7","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H32 Cd0 N6 O8 Zn -","- C23 H32 N6 O8 Zn -","- C46 H64 N12 O16 Zn2 -","2","1","","Wu, Hua; Lü, Xiao-Li; Yang, Chun-Long; Dong, Chang-Xun; Wu, Mei-Sheng","Diverse topologies of seven d10 coordination polymers constructed from a long ligand and different carboxylates","CrystEngComm","2014","16","6","992","","10.1039/c3ce41974f","","","1.54184","CuKα","","0.1288","0.0731","","","0.1671","0.1969","","","","","","1.066","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213855","30.249","0.003","9.1097","0.0003","18.2763","0.0013","90","","122.814","0.011","90","","4232.6","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H50 N12 O8 Zn2 -","- C38 H30 N12 O8 Zn2 -","- C152 H120 N48 O32 Zn8 -","4","0.5","","Wu, Hua; Lü, Xiao-Li; Yang, Chun-Long; Dong, Chang-Xun; Wu, Mei-Sheng","Diverse topologies of seven d10 coordination polymers constructed from a long ligand and different carboxylates","CrystEngComm","2014","16","6","992","","10.1039/c3ce41974f","","","1.54184","CuKα","","0.1069","0.0722","","","0.1742","0.1908","","","","","","1.079","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213856","10.149","0.0007","10.423","0.0007","14.596","0.001","75.494","0.006","81.455","0.006","66.286","0.007","1366.58","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H34 Cd N6 O7 -","- C22 H18 Cd N6 O7 -","- C44 H36 Cd2 N12 O14 -","2","1","","Wu, Hua; Lü, Xiao-Li; Yang, Chun-Long; Dong, Chang-Xun; Wu, Mei-Sheng","Diverse topologies of seven d10 coordination polymers constructed from a long ligand and different carboxylates","CrystEngComm","2014","16","6","992","","10.1039/c3ce41974f","","","0.71073","MoKα","","0.0511","0.0367","","","0.095","0.098","","","","","","0.949","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213857","10.1865","0.001","13.716","0.002","15.936","0.002","111.617","0.013","93.704","0.009","95.474","0.01","2048.5","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H90 Cd4 N18 O17 -","- C74 H88 Cd4 N18 O17 -","- C74 H88 Cd4 N18 O17 -","1","0.5","","Wu, Hua; Lü, Xiao-Li; Yang, Chun-Long; Dong, Chang-Xun; Wu, Mei-Sheng","Diverse topologies of seven d10 coordination polymers constructed from a long ligand and different carboxylates","CrystEngComm","2014","16","6","992","","10.1039/c3ce41974f","","","0.71073","MoKα","","0.1002","0.0393","","","0.0657","0.0735","","","","","","0.781","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213858","17.429","0.003","5.81","0.001","25.244","0.005","90","","130.351","0.012","90","","1948.1","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H24 Cl2 N6 Zn -","- C14 H24 Cl2 N6 Zn -","- C56 H96 Cl8 N24 Zn4 -","4","1","","Wu, Hua; Lü, Xiao-Li; Yang, Chun-Long; Dong, Chang-Xun; Wu, Mei-Sheng","Diverse topologies of seven d10 coordination polymers constructed from a long ligand and different carboxylates","CrystEngComm","2014","16","6","992","","10.1039/c3ce41974f","","","0.71073","MoKα","","0.1255","0.0317","","","0.0334","0.0373","","","","","","0.635","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213859","15.0205","0.0016","8.6335","0.001","10.1078","0.0011","90","","95.43","0.002","90","","1304.9","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 Fe N2 O16 P4 -","- C20 H28 Fe N2 O16 P4 -","- C40 H56 Fe2 N4 O32 P8 -","2","0.5","","Zhou, Wei; Zhu, Yan-Yu; Jiao, Cheng-Qi; Sun, Zhen-Gang; Shi, Shao-Ping; Dai, Lu-Lu; Sun, Tong; Li, Wen-Zhu; Ma, Ming-Xue; Luo, Hui","Syntheses, crystal structures, surface photovoltage, luminescence and molecular recognition properties of zinc(ii) and iron(ii) carboxyphosphonates with 2D and 3D supramolecular structures","CrystEngComm","2014","16","6","1174","","10.1039/c3ce41976b","","","0.71073","MoKα","","0.0483","0.0418","","","0.1267","0.1323","","","","","","1.004","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213860","15.2874","0.0018","8.1363","0.001","11.36","0.0014","90","","94.136","0.002","90","","1409.3","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 N O8 P2 Zn2 -","- C10 H11 N O8 P2 Zn2 -","- C40 H44 N4 O32 P8 Zn8 -","4","1","","Zhou, Wei; Zhu, Yan-Yu; Jiao, Cheng-Qi; Sun, Zhen-Gang; Shi, Shao-Ping; Dai, Lu-Lu; Sun, Tong; Li, Wen-Zhu; Ma, Ming-Xue; Luo, Hui","Syntheses, crystal structures, surface photovoltage, luminescence and molecular recognition properties of zinc(ii) and iron(ii) carboxyphosphonates with 2D and 3D supramolecular structures","CrystEngComm","2014","16","6","1174","","10.1039/c3ce41976b","","","0.71073","MoKα","","0.0586","0.0344","","","0.0923","0.116","","","","","","1.002","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213861","15.5562","0.0015","9.6049","0.0009","10.2192","0.001","90","","99.109","0.002","90","","1507.7","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H13 Fe2 N O9 P2 -","- C10 H13 Fe2 N O9 P2 -","- C40 H52 Fe8 N4 O36 P8 -","4","1","","Zhou, Wei; Zhu, Yan-Yu; Jiao, Cheng-Qi; Sun, Zhen-Gang; Shi, Shao-Ping; Dai, Lu-Lu; Sun, Tong; Li, Wen-Zhu; Ma, Ming-Xue; Luo, Hui","Syntheses, crystal structures, surface photovoltage, luminescence and molecular recognition properties of zinc(ii) and iron(ii) carboxyphosphonates with 2D and 3D supramolecular structures","CrystEngComm","2014","16","6","1174","","10.1039/c3ce41976b","","","0.71073","MoKα","","0.0584","0.0423","","","0.0972","0.1042","","","","","","1.015","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213862","18.5137","0.0012","19.2404","0.0012","8.0478","0.0005","90","","90","","90","","2866.7","0.3","296","2","296","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C10 H13 N O8 P2 Zn -","- C10 H13 N O8 P2 Zn -","- C80 H104 N8 O64 P16 Zn8 -","8","1","","Zhou, Wei; Zhu, Yan-Yu; Jiao, Cheng-Qi; Sun, Zhen-Gang; Shi, Shao-Ping; Dai, Lu-Lu; Sun, Tong; Li, Wen-Zhu; Ma, Ming-Xue; Luo, Hui","Syntheses, crystal structures, surface photovoltage, luminescence and molecular recognition properties of zinc(ii) and iron(ii) carboxyphosphonates with 2D and 3D supramolecular structures","CrystEngComm","2014","16","6","1174","","10.1039/c3ce41976b","","","0.71073","MoKα","","0.061","0.0392","","","0.0635","0.0679","","","","","","1","","","","has coordinates,has disorder","180469","2020-10-21","18:00:00",""
"7213863","15.209","0.003","14.377","0.003","12.81","0.003","90","","91.73","0.03","90","","2799.8","1","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C6 H66 Co5 N4 O57 V11 -","- C6 H20 Co5 N4 O57 V11 -","- C12 H40 Co10 N8 O114 V22 -","2","0.25","","Liang, Yue; Zhang, Zhi-Ming; Liu, Zhu-Jun; Zhang, Ying; Zhang, Jun; Wang, En-Bo","A cobalt-containing pseudosandwich-type polyoxometalate based on a lacunary Lindqvist polyoxovanadate","CrystEngComm","2014","16","6","1187","","10.1039/c3ce41278d","","","0.71073","MoKα","","0.0791","0.0717","","","0.1686","0.1727","","","","","","0.967","","","","has coordinates,has disorder","180469","2020-10-21","18:00:00",""
"7213864","26.75","0.009","14.879","0.004","18.279","0.006","90","","107.645","0.005","90","","6933","4","113","2","113","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H33 Cl2 Cu N2 O6 -","- C34 H33 Cl2 Cu N2 O5.5 -","- C272 H264 Cl16 Cu8 N16 O44 -","8","1","","Guo, Fang; Shao, Hui-de; Yang, Qi; Famulari, Antonino; Martí-Rujas, Javier","Mechanochemical dehydrochlorination and chelation reaction in the solid state: from a molecular salt to a coordination complex","CrystEngComm","2014","16","6","969","","10.1039/c3ce41900b","","","0.71073","MoKα","","0.0732","0.0634","","","0.1451","0.1512","","","","","","1.15","","","","has coordinates,has disorder","180469","2020-10-21","18:00:00",""
"7213865","15.971","0.004","16.246","0.003","16.318","0.004","90","","103.582","0.014","90","","4115.5","1.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H20 Cd Cl2 N2 O5 -","- C18 H14 Cd Cl2 N2 O5 -","- C144 H112 Cd8 Cl16 N16 O40 -","8","1","","Ren, Cai-Xia; Zheng, Ai-Li; Cai, Li-Xuan; Chen, Cheng; Tan, Bin; Zhang, Jie","Anion-induced structural transformation involving interpenetration control and luminescence switching","CrystEngComm","2014","16","6","1038","","10.1039/c3ce42164c","","","0.71073","MoKα","","0.0508","0.0429","","","0.1181","0.1272","","","","","","1.009","","","","has coordinates,has disorder","180469","2020-10-21","18:00:00",""
"7213866","9.1906","0.0007","11.3629","0.0006","13.6819","0.0011","113.6","0.006","105.419","0.007","91.254","0.006","1248.81","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 Cd N2 O9 -","- C26 H18 Cd N2 O9 -","- C52 H36 Cd2 N4 O18 -","2","1","","Ren, Cai-Xia; Zheng, Ai-Li; Cai, Li-Xuan; Chen, Cheng; Tan, Bin; Zhang, Jie","Anion-induced structural transformation involving interpenetration control and luminescence switching","CrystEngComm","2014","16","6","1038","","10.1039/c3ce42164c","","","1.54178","CuKα","","0.068","0.0604","","","0.1562","0.1629","","","","","","1.039","","","","has coordinates,has disorder","180469","2020-10-21","18:00:00",""
"7213867","18.433","0.003","17.712","0.003","30.096","0.005","90","","90","","90","","9826","3","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C88 H100 Cd3 Cl2 N8 O34 -","- C88 H64 Cd3 Cl2 N8 O34 -","- C352 H256 Cd12 Cl8 N32 O136 -","4","0.5","","Ren, Cai-Xia; Zheng, Ai-Li; Cai, Li-Xuan; Chen, Cheng; Tan, Bin; Zhang, Jie","Anion-induced structural transformation involving interpenetration control and luminescence switching","CrystEngComm","2014","16","6","1038","","10.1039/c3ce42164c","","","0.71073","MoKα","","0.0752","0.0648","","","0.2061","0.2198","","","","","","1.086","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213868","18.3083","0.0018","6.8191","0.0005","22.558","0.002","90","","101.519","0.001","90","","2759.6","0.4","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 N10 -","- C32 H24 N10 -","- C128 H96 N40 -","4","1","","Ding, Caixia; Rui, Xing; Wang, Cheng; Xie, Yongshu","Coordination polymers of a multipyridyl and pyrazolyl ligand with conformational flexibility: syntheses, structures and luminescence","CrystEngComm","2014","16","6","1010","","10.1039/c3ce42147c","","","0.71073","MoKα","","0.0742","0.0444","","","0.0952","0.1061","","","","","","1.031","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213869","19.6653","0.0018","11.3358","0.0011","14.1097","0.0012","90","","90","","90","","3145.4","0.5","298","2","298","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C32 H24 Cl2 N10 Zn -","- C32 H24 Cl2 N10 Zn -","- C128 H96 Cl8 N40 Zn4 -","4","1","","Ding, Caixia; Rui, Xing; Wang, Cheng; Xie, Yongshu","Coordination polymers of a multipyridyl and pyrazolyl ligand with conformational flexibility: syntheses, structures and luminescence","CrystEngComm","2014","16","6","1010","","10.1039/c3ce42147c","","","0.71073","MoKα","","0.1508","0.0639","","","0.1382","0.1952","","","","","","1.051","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213870","10.2118","0.0009","18.3727","0.0017","18.2062","0.0016","90","","96.234","0.001","90","","3395.6","0.5","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H24 Br2 N10 Zn -","- C32 H24 Br2 N10 Zn -","- C128 H96 Br8 N40 Zn4 -","4","1","","Ding, Caixia; Rui, Xing; Wang, Cheng; Xie, Yongshu","Coordination polymers of a multipyridyl and pyrazolyl ligand with conformational flexibility: syntheses, structures and luminescence","CrystEngComm","2014","16","6","1010","","10.1039/c3ce42147c","","","0.71073","MoKα","","0.1663","0.0865","","","0.2127","0.2488","","","","","","0.881","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213871","10.5859","0.0007","16.938","0.0014","19.398","0.002","90","","96.545","0.001","90","","3455.5","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H24 I2 N10 Zn -","- C32 H24 I2 N10 Zn -","- C128 H96 I8 N40 Zn4 -","4","1","","Ding, Caixia; Rui, Xing; Wang, Cheng; Xie, Yongshu","Coordination polymers of a multipyridyl and pyrazolyl ligand with conformational flexibility: syntheses, structures and luminescence","CrystEngComm","2014","16","6","1010","","10.1039/c3ce42147c","","","0.71073","MoKα","","0.133","0.0818","","","0.2048","0.2499","","","","","","1.023","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213872","7.821","0.0005","44.97","0.003","11.0991","0.0009","90","","134.49","0.002","90","","2784.8","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H48 Cd Cl2 N20 -","- C64 H48 Cd Cl2 N20 -","- C128 H96 Cd2 Cl4 N40 -","2","0.5","","Ding, Caixia; Rui, Xing; Wang, Cheng; Xie, Yongshu","Coordination polymers of a multipyridyl and pyrazolyl ligand with conformational flexibility: syntheses, structures and luminescence","CrystEngComm","2014","16","6","1010","","10.1039/c3ce42147c","","","0.71073","MoKα","","0.1047","0.0782","","","0.1815","0.1932","","","","","","1.178","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213873","7.9001","0.0007","44.62","0.003","8.0308","0.0004","90","","91.642","0.002","90","","2829.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H48 Br2 Cd N20 -","- C64 H48 Br2 Cd N20 -","- C128 H96 Br4 Cd2 N40 -","2","0.5","","Ding, Caixia; Rui, Xing; Wang, Cheng; Xie, Yongshu","Coordination polymers of a multipyridyl and pyrazolyl ligand with conformational flexibility: syntheses, structures and luminescence","CrystEngComm","2014","16","6","1010","","10.1039/c3ce42147c","","","0.71073","MoKα","","0.0983","0.0541","","","0.0995","0.1215","","","","","","1.059","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213874","10.8437","0.0011","16.6662","0.0016","19.6797","0.0018","90","","96.639","0.001","90","","3532.7","0.6","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H24 Cd I2 N10 -","- C32 H24 Cd I2 N10 -","- C128 H96 Cd4 I8 N40 -","4","1","","Ding, Caixia; Rui, Xing; Wang, Cheng; Xie, Yongshu","Coordination polymers of a multipyridyl and pyrazolyl ligand with conformational flexibility: syntheses, structures and luminescence","CrystEngComm","2014","16","6","1010","","10.1039/c3ce42147c","","","0.71073","MoKα","","0.0815","0.0513","","","0.1309","0.1444","","","","","","1.091","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213875","36.645","0.003","8.739","0.0006","25.427","0.002","90","","104.304","0.001","90","","7890.3","1","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C75 H70 Cl2 Co2 N25 O12 S2 -","- C75.006 H70.012 Cl2 Co2 N25 O12 S2 -","- C300.024 H280.048 Cl8 Co8 N100 O48 S8 -","4","0.5","","Ding, Caixia; Rui, Xing; Wang, Cheng; Xie, Yongshu","Coordination polymers of a multipyridyl and pyrazolyl ligand with conformational flexibility: syntheses, structures and luminescence","CrystEngComm","2014","16","6","1010","","10.1039/c3ce42147c","","","0.71073","MoKα","","0.1042","0.062","","","0.1585","0.1753","","","","","","1.067","","","","has coordinates,has disorder","180469","2020-10-21","18:00:00",""
"7213876","34.166","0.003","8.528","0.0009","24.721","0.002","90","","99.831","0.002","90","","7097.1","1.1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C64 H48 Cl3 Cu2 N23 O12 -","- C64 H48 Cl3 Cu2 N23 O12 -","- C256 H192 Cl12 Cu8 N92 O48 -","4","0.5","","Ding, Caixia; Rui, Xing; Wang, Cheng; Xie, Yongshu","Coordination polymers of a multipyridyl and pyrazolyl ligand with conformational flexibility: syntheses, structures and luminescence","CrystEngComm","2014","16","6","1010","","10.1039/c3ce42147c","","","0.71073","MoKα","","0.0726","0.0582","","","0.1777","0.1882","","","","","","1.072","","","","has coordinates,has disorder","180469","2020-10-21","18:00:00",""
"7213877","25.574","0.002","8.7383","0.0008","18.346","0.002","90","","116.964","0.001","90","","3654.2","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H22 Cl2 N2 O Ru -","- C17 H22 Cl2 N2 O Ru -","- C136 H176 Cl16 N16 O8 Ru8 -","8","1","","Bacchi, A.; Cantoni, G.; Crocco, D.; Granelli, M.; Pagano, P.; Pelagatti, P.","Hydrogen-bond networks in polymorphs and solvates of metallorganic complexes containing ruthenium and aminoamide ligands","CrystEngComm","2014","16","6","1001","","10.1039/c3ce41920g","","","0.71073","MoKα","","0.0806","0.0448","","","0.0929","0.1171","","","","","","1.205","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213878","8.723","0.009","9.227","0.009","12.62","0.01","74.26","0.01","69.8","0.01","89.74","0.01","913","1.5","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C17 H22 Cl2 N2 O Ru -","- C17 H22 Cl2 N2 O Ru -","- C34 H44 Cl4 N4 O2 Ru2 -","2","2","","Bacchi, A.; Cantoni, G.; Crocco, D.; Granelli, M.; Pagano, P.; Pelagatti, P.","Hydrogen-bond networks in polymorphs and solvates of metallorganic complexes containing ruthenium and aminoamide ligands","CrystEngComm","2014","16","6","1001","","10.1039/c3ce41920g","","","0.71073","MoKα","","0.1761","0.1265","","","0.3327","0.3864","","","","","","1.5","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213879","7.766","0.001","9.144","0.001","15.613","0.002","83.304","0.003","82.977","0.003","69.036","0.003","1024.4","0.2","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H26 Cl2 N2 O2 Ru -","- C18 H26 Cl2 N2 O2 Ru -","- C36 H52 Cl4 N4 O4 Ru2 -","2","1","","Bacchi, A.; Cantoni, G.; Crocco, D.; Granelli, M.; Pagano, P.; Pelagatti, P.","Hydrogen-bond networks in polymorphs and solvates of metallorganic complexes containing ruthenium and aminoamide ligands","CrystEngComm","2014","16","6","1001","","10.1039/c3ce41920g","","","0.71073","MoKα","","0.0556","0.048","","","0.1241","0.1279","","","","","","1.01","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213880","7.6649","0.0009","9.0707","0.0011","19.817","0.002","87.882","0.002","89.682","0.002","70.084","0.002","1294.5","0.3","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H32 Cl2 N2 O2 Ru -","- C25 H32 Cl2 N2 O2 Ru -","- C50 H64 Cl4 N4 O4 Ru2 -","2","1","","Bacchi, A.; Cantoni, G.; Crocco, D.; Granelli, M.; Pagano, P.; Pelagatti, P.","Hydrogen-bond networks in polymorphs and solvates of metallorganic complexes containing ruthenium and aminoamide ligands","CrystEngComm","2014","16","6","1001","","10.1039/c3ce41920g","","","0.71073","MoKα","","0.0349","0.0276","","","0.0665","0.0698","","","","","","0.91","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213881","9.516","0.005","9.814","0.005","14.001","0.005","74.216","0.005","82.094","0.005","67.846","0.005","1164.5","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H28 Cl2 N2 O2 Ru -","- C23 H28 Cl2 N2 O2 Ru -","- C46 H56 Cl4 N4 O4 Ru2 -","2","1","","Bacchi, A.; Cantoni, G.; Crocco, D.; Granelli, M.; Pagano, P.; Pelagatti, P.","Hydrogen-bond networks in polymorphs and solvates of metallorganic complexes containing ruthenium and aminoamide ligands","CrystEngComm","2014","16","6","1001","","10.1039/c3ce41920g","","","0.71073","MoKα","","0.0295","0.0267","","","0.0671","0.0684","","","","","","1.068","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213882","9.3925","0.0012","10.0156","0.0016","12.669","0.0016","84.282","0.002","80.105","0.002","71.028","0.002","1109.1","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H14 Co N4 O6 S2 -","- C23 H14 Co N4 O6 S2 -","- C46 H28 Co2 N8 O12 S4 -","2","1","","Shi, Zhi-Qiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Syntheses, structures, and photoluminescent properties of a series of metal‒organic frameworks constructed by 5,5′-bis(1H-imidazol-1-yl)-2,2′-bithiophene and various carboxylate ligands","CrystEngComm","2014","16","5","900","","10.1039/c3ce41966e","","","0.71073","MoKα","","0.0318","0.0284","","","0.0985","0.1007","","","","","","1.06","","","","has coordinates,has disorder","180469","2020-10-21","18:00:00",""
"7213883","10.2077","0.0006","10.5027","0.0006","14.5086","0.0009","94.454","0.001","98.649","0.001","91.289","0.001","1532.19","0.16","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H18 Co F6 N4 O4 S2 -","- C31 H18 Co F6 N4 O4 S2 -","- C62 H36 Co2 F12 N8 O8 S4 -","2","1","","Shi, Zhi-Qiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Syntheses, structures, and photoluminescent properties of a series of metal‒organic frameworks constructed by 5,5′-bis(1H-imidazol-1-yl)-2,2′-bithiophene and various carboxylate ligands","CrystEngComm","2014","16","5","900","","10.1039/c3ce41966e","","","0.71073","MoKα","","0.0699","0.0531","","","0.1497","0.1569","","","","","","1.05","","","","has coordinates,has disorder","180469","2020-10-21","18:00:00",""
"7213884","17.8224","0.0012","27.27","0.0019","18.3256","0.0012","90","","110.532","0.001","90","","8340.8","1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C88 H56 N16 O16 S8 Zn4 -","- C88 H56 N16 O16 S8 Zn4 -","- C352 H224 N64 O64 S32 Zn16 -","4","1","","Shi, Zhi-Qiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Syntheses, structures, and photoluminescent properties of a series of metal‒organic frameworks constructed by 5,5′-bis(1H-imidazol-1-yl)-2,2′-bithiophene and various carboxylate ligands","CrystEngComm","2014","16","5","900","","10.1039/c3ce41966e","","","0.71073","MoKα","","0.0646","0.0468","","","0.1054","0.1068","","","","","","1","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213885","21.33","0.003","8.1009","0.0013","30.993","0.003","90","","122.46","0.007","90","","4518.7","1.1","296","2","296","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C41 H21 F12 N2 O8 S Zn2 -","- C41 H21 F12 N2 O8 S Zn2 -","- C164 H84 F48 N8 O32 S4 Zn8 -","4","1","","Shi, Zhi-Qiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Syntheses, structures, and photoluminescent properties of a series of metal‒organic frameworks constructed by 5,5′-bis(1H-imidazol-1-yl)-2,2′-bithiophene and various carboxylate ligands","CrystEngComm","2014","16","5","900","","10.1039/c3ce41966e","","","0.71073","MoKα","","0.0704","0.0424","","","0.1014","0.1091","","","","","","1.002","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213886","9.5686","0.0008","10.3542","0.0008","11.0911","0.0009","80.148","0.001","83.52","0.001","72.515","0.001","1030.42","0.14","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H14 Cd N4 O4 S2 -","- C22 H14 Cd N4 O4 S2 -","- C44 H28 Cd2 N8 O8 S4 -","2","1","","Shi, Zhi-Qiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Syntheses, structures, and photoluminescent properties of a series of metal‒organic frameworks constructed by 5,5′-bis(1H-imidazol-1-yl)-2,2′-bithiophene and various carboxylate ligands","CrystEngComm","2014","16","5","900","","10.1039/c3ce41966e","","","0.71073","MoKα","","0.0301","0.0276","","","0.0704","0.0716","","","","","","1.013","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213887","9.4003","0.0006","9.8766","0.0007","12.0339","0.0008","82.475","0.001","80.707","0.001","72.367","0.001","1046.79","0.12","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H14 N4 O5 S2 Zn -","- C22 H14 N4 O5 S2 Zn -","- C44 H28 N8 O10 S4 Zn2 -","2","1","","Shi, Zhi-Qiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Syntheses, structures, and photoluminescent properties of a series of metal‒organic frameworks constructed by 5,5′-bis(1H-imidazol-1-yl)-2,2′-bithiophene and various carboxylate ligands","CrystEngComm","2014","16","5","900","","10.1039/c3ce41966e","","","0.71073","MoKα","","0.0286","0.0256","","","0.0817","0.0836","","","","","","1.028","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213888","10.4879","0.001","20.6148","0.0019","15.51","0.0011","90","","121.819","0.005","90","","2849.4","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 N4 O4 S2 Zn -","- C24 H24 N4 O4 S2 Zn -","- C96 H96 N16 O16 S8 Zn4 -","4","1","","Shi, Zhi-Qiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Syntheses, structures, and photoluminescent properties of a series of metal‒organic frameworks constructed by 5,5′-bis(1H-imidazol-1-yl)-2,2′-bithiophene and various carboxylate ligands","CrystEngComm","2014","16","5","900","","10.1039/c3ce41966e","","","0.71073","MoKα","","0.0672","0.0512","","","0.1348","0.1367","","","","","","1.092","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213889","11.4985","0.0003","21.276","0.0006","21.4387","0.0006","77.071","0.002","80.672","0.002","88.411","0.002","5044","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C61 H53 Co2 N7 O19 -","- C61 H53 Co2 N7 O19 -","- C122 H106 Co4 N14 O38 -","2","1","","Li, Huimin; Zhou, Jingmin; Shi, Wei; Zhang, Xuejing; Zhang, Zhenjie; Zhang, Meng; Cheng, Peng","Structural diversity of four new metal‒organic frameworks with a curved tetracarboxdiimide dicarboxylic acid","CrystEngComm","2014","16","5","834","","10.1039/c3ce41805g","","","0.7107","MoKα","","0.0756","0.0565","","","0.1683","0.1788","","","","","","0.922","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213890","11.744","0.002","19.878","0.004","36.094","0.007","90","","90","","90","","8426","3","293","2","293","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C26 H16 Cu N2 O9 -","- C26 H16 Cu N2 O9 -","- C208 H128 Cu8 N16 O72 -","8","0.5","","Li, Huimin; Zhou, Jingmin; Shi, Wei; Zhang, Xuejing; Zhang, Zhenjie; Zhang, Meng; Cheng, Peng","Structural diversity of four new metal‒organic frameworks with a curved tetracarboxdiimide dicarboxylic acid","CrystEngComm","2014","16","5","834","","10.1039/c3ce41805g","","","0.71073","MoKα","","0.1248","0.0793","","","0.2195","0.2488","","","","","","1.044","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213891","11.7133","0.0003","18.7995","0.0005","24.1755","0.0006","90","","90","","90","","5323.5","0.2","293","2","293","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C20 H16 N3 O8 Zn -","- C20 H16 N3 O8 Zn -","- C160 H128 N24 O64 Zn8 -","8","1","","Li, Huimin; Zhou, Jingmin; Shi, Wei; Zhang, Xuejing; Zhang, Zhenjie; Zhang, Meng; Cheng, Peng","Structural diversity of four new metal‒organic frameworks with a curved tetracarboxdiimide dicarboxylic acid","CrystEngComm","2014","16","5","834","","10.1039/c3ce41805g","","","0.71073","MoKα","","0.0812","0.0629","","","0.1713","0.1834","","","","","","1.053","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213892","15.1796","0.0007","15.6453","0.0005","16.984","0.0015","90","","119.218","0.005","90","","3520.3","0.4","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C55 H41 Cd2 N5 O20 -","- C55 H41 Cd2 N5 O20 -","- C110 H82 Cd4 N10 O40 -","2","0.5","","Li, Huimin; Zhou, Jingmin; Shi, Wei; Zhang, Xuejing; Zhang, Zhenjie; Zhang, Meng; Cheng, Peng","Structural diversity of four new metal‒organic frameworks with a curved tetracarboxdiimide dicarboxylic acid","CrystEngComm","2014","16","5","834","","10.1039/c3ce41805g","","","0.71073","MOKα","","0.1062","0.0867","","","0.2439","0.2622","","","","","","1.069","","","","has coordinates,has disorder","180469","2020-10-21","18:00:00",""
"7213893","5.5791","0.0016","7.683","0.003","16.223","0.004","89.07","0.02","83.89","0.02","84.51","0.03","688.3","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H12 Br N O -","- C17 H12 Br N O -","- C34 H24 Br2 N2 O2 -","2","1","","Khavasi, Hamid Reza; Ghanbarpour, Alireza; Tehrani, Alireza Azhdari","Synthon crossover between halogen⋯π and halogen⋯halogen interaction","CrystEngComm","2014","16","5","749","","10.1039/c3ce41853g","","","0.71073","MoKα","","0.1319","0.0754","","","0.1368","0.1571","","","","","","1.179","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213894","5.5931","0.0012","7.6167","0.0019","15.88","0.004","88.41","0.02","83.971","0.018","84.915","0.019","670","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H12 Cl N O -","- C17 H12 Cl N O -","- C34 H24 Cl2 N2 O2 -","2","1","","Khavasi, Hamid Reza; Ghanbarpour, Alireza; Tehrani, Alireza Azhdari","Synthon crossover between halogen⋯π and halogen⋯halogen interaction","CrystEngComm","2014","16","5","749","","10.1039/c3ce41853g","","","0.71073","MoKα","","0.1012","0.0954","","","0.1231","0.1542","","","","","","1.166","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213895","5.6099","0.0014","7.6163","0.0019","14.943","0.003","88.73","0.019","84.005","0.019","85.28","0.02","632.8","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H12 F N O -","- C17 H12 F N O -","- C34 H24 F2 N2 O2 -","2","1","","Khavasi, Hamid Reza; Ghanbarpour, Alireza; Tehrani, Alireza Azhdari","Synthon crossover between halogen⋯π and halogen⋯halogen interaction","CrystEngComm","2014","16","5","749","","10.1039/c3ce41853g","","","0.71073","MoKα","","0.107","0.0631","","","0.1718","0.2027","","","","","","1.076","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213896","32.1685","0.0016","10.7211","0.0004","8.2676","0.0005","90","","95.678","0.004","90","","2837.4","0.2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H12 I N O -","- C17 H12 I N O -","- C136 H96 I8 N8 O8 -","8","1","","Khavasi, Hamid Reza; Ghanbarpour, Alireza; Tehrani, Alireza Azhdari","Synthon crossover between halogen⋯π and halogen⋯halogen interaction","CrystEngComm","2014","16","5","749","","10.1039/c3ce41853g","","","0.71073","MoKα","","0.0793","0.0536","","","0.1177","0.1292","","","","","","1.11","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213897","6.364","0.003","17.187","0.009","12.649","0.007","90","","102.71","0.04","90","","1349.6","1.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H11 Br N2 O -","- C16 H11 Br N2 O -","- C64 H44 Br4 N8 O4 -","4","1","","Khavasi, Hamid Reza; Ghanbarpour, Alireza; Tehrani, Alireza Azhdari","Synthon crossover between halogen⋯π and halogen⋯halogen interaction","CrystEngComm","2014","16","5","749","","10.1039/c3ce41853g","","","0.71073","MoKα","","0.0951","0.0843","","","0.1432","0.1639","","","","","","1.15","","","","has coordinates","180469","2020-10-21","18:00:00",""
"7213898","14.176","0.003","6.0252","0.0011","15.551","0.004","90","","98.311","0.019","90","","1314.3","0.5","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H11 Cl N2 O -","- C16 H11 Cl N2 O -","- C64 H44 Cl4 N8 O4 -","4","1","","Khavasi, Hamid Reza; Ghanbarpour, Alireza; Tehrani, Alireza Azhdari","Synthon crossover between halogen⋯π and halogen⋯halogen interaction","CrystEngComm","2014","16","5","749","","10.1039/c3ce41853g","","","0.71073","MoKα","","0.102","0.0826","","","0.1223","0.1423","","","","","","1.16","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213899","4.9506","0.0003","14.5932","0.0014","17.6779","0.0013","90","","90","","90","","1277.14","0.17","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H11 F N2 O -","- C16 H11 F N2 O -","- C64 H44 F4 N8 O4 -","4","1","","Khavasi, Hamid Reza; Ghanbarpour, Alireza; Tehrani, Alireza Azhdari","Synthon crossover between halogen⋯π and halogen⋯halogen interaction","CrystEngComm","2014","16","5","749","","10.1039/c3ce41853g","","","0.71073","MoKα","","0.1199","0.0731","","","0.1387","0.1559","","","","","","1.093","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213900","6.548","0.002","17.029","0.005","12.714","0.005","90","","102.06","0.03","90","","1386.4","0.8","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H11 I N2 O -","- C16 H11 I N2 O -","- C64 H44 I4 N8 O4 -","4","1","","Khavasi, Hamid Reza; Ghanbarpour, Alireza; Tehrani, Alireza Azhdari","Synthon crossover between halogen⋯π and halogen⋯halogen interaction","CrystEngComm","2014","16","5","749","","10.1039/c3ce41853g","","","0.71073","MoKα","","0.0516","0.0411","","","0.1154","0.1216","","","","","","1.157","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213901","18.3217","0.0018","11.4532","0.0013","21.918","0.002","90","","110.307","0.005","90","","4313.5","0.8","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H65 Cu2 N O12 -","- C33 H65 Cu2 N O12 -","- C132 H260 Cu8 N4 O48 -","4","1","","Nesterova, Oksana V.; Kirillova, Marina V.; Guedes da Silva, M. Fátima C.; Boča, Roman; Pombeiro, Armando J. L.","How to force a classical chelating ligand to a metal non-chelating bridge: the observation of a rare coordination mode of diethanolamine in the 1D complex {[Cu2(Piv)4(H3tBuDea)](Piv)}n","CrystEngComm","2014","16","5","775","","10.1039/c3ce41657g","","","0.71069","MoKα","","0.0779","0.0489","","","0.1194","0.1347","","","","","","1.01","","","","has coordinates,has disorder","180470","2020-10-21","18:00:00",""
"7213902","28.41","0.008","8.844","0.003","7.497","0.002","90","","90","","90","","1883.7","1","173","2","173","2","","","","","","","","5","I m a 2","I 2 -2a","46","","","","- C19 H19 Mn N O7 -","- C19 H12 Mn N O7 -","- C76 H48 Mn4 N4 O28 -","4","0.5","","Luo, Rui; Xu, Heng; Gu, Hao-Xue; Wang, Xin; Xu, Yan; Shen, Xuan; Bao, Weiwei; Zhu, Dun-Ru","Four MOFs with 2,2′-dimethoxy-4,4′-biphenyldicarboxylic acid: syntheses, structures, topologies and properties","CrystEngComm","2014","16","5","784","","10.1039/c3ce41428k","","","0.71073","MoKα","","0.0469","0.0417","","","0.1091","0.1231","","","","","","1.164","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213903","7.631","0.002","9.033","0.003","14.87","0.004","106.822","0.003","96.077","0.003","91.721","0.003","973.6","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H23 N Ni O9 -","- C19 H23 N Ni O9 -","- C38 H46 N2 Ni2 O18 -","2","1","","Luo, Rui; Xu, Heng; Gu, Hao-Xue; Wang, Xin; Xu, Yan; Shen, Xuan; Bao, Weiwei; Zhu, Dun-Ru","Four MOFs with 2,2′-dimethoxy-4,4′-biphenyldicarboxylic acid: syntheses, structures, topologies and properties","CrystEngComm","2014","16","5","784","","10.1039/c3ce41428k","","","0.71073","MoKα","","0.0427","0.0328","","","0.0766","0.0809","","","","","","1.028","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213904","27.086","0.003","27.086","0.003","6.7052","0.0009","90","","90","","90","","4919.3","1","296","2","296","2","","","","","","","","4","P 4/n b m :2","-P 4a 2b","125","","","","- C16 H12 Cu O7 -","- C16 H12 Cu O7 -","- C128 H96 Cu8 O56 -","8","0.5","","Luo, Rui; Xu, Heng; Gu, Hao-Xue; Wang, Xin; Xu, Yan; Shen, Xuan; Bao, Weiwei; Zhu, Dun-Ru","Four MOFs with 2,2′-dimethoxy-4,4′-biphenyldicarboxylic acid: syntheses, structures, topologies and properties","CrystEngComm","2014","16","5","784","","10.1039/c3ce41428k","","","0.71073","MoKα","","0.0577","0.0544","","","0.182","0.1844","","","","","","1.156","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213905","21.769","0.002","21.769","0.002","44.426","0.009","90","","90","","90","","21053","5","296","2","296","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C168 H148 Cd7 N4 Na2 O60 -","- C168 H145 Cd7 N4 Na2 O60 -","- C672 H580 Cd28 N16 Na8 O240 -","4","0.25","","Luo, Rui; Xu, Heng; Gu, Hao-Xue; Wang, Xin; Xu, Yan; Shen, Xuan; Bao, Weiwei; Zhu, Dun-Ru","Four MOFs with 2,2′-dimethoxy-4,4′-biphenyldicarboxylic acid: syntheses, structures, topologies and properties","CrystEngComm","2014","16","5","784","","10.1039/c3ce41428k","","","0.71073","MoKα","","0.0635","0.0565","","","0.1642","0.1703","","","","","","1.096","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7213906","16.842","0.0002","16.842","0.0002","7.249","0.0002","90","","90","","90","","2056.2","0.07","296","2","296","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C2 H15 N6 O5 P -","- C2 H15 N6 O5 P -","- C16 H120 N48 O40 P8 -","8","1","","Liu, Xitao; Wang, Xinqiang; Yin, Xin; Liu, Shande; He, Wen; Zhu, Luyi; Zhang, Guanghui; Xu, Dong","Bulk growth and physical properties of diguanidinium phosphate monohydrate (G2HP) as a multi-functional crystal","CrystEngComm","2014","16","5","930","","10.1039/c3ce41896k","","","0.71073","MoKα","","0.0423","0.0313","","","0.069","0.0752","","","","","","1.024","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213907","18.867","0.004","17.119","0.003","28.504","0.005","90","","112.252","0.011","90","","8521","3","113","2","113","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C75 H56.5 Cl6 Co8 N31.5 O9 -","- C60 H36 Cl6 Co8 N24 O6 -","- C240 H144 Cl24 Co32 N96 O24 -","4","1","","Han, Song-De; Chen, Yong-Qiang; Zhao, Jiong-Peng; Liu, Sui-Jun; Miao, Xiao-Hong; Hu, Tong-Liang; Bu, Xian-He","Solvent-induced structural diversities from discrete cup-shaped Co8 clusters to Co8 cluster-based chains accompanied by in situ ligand conversion","CrystEngComm","2014","16","5","753","","10.1039/c3ce42007h","","","0.71075","MoKα","","0.1021","0.0831","","","0.1972","0.2079","","","","","","1.039","","","","has coordinates,has disorder","180470","2020-10-21","18:00:00",""
"7213908","30.195","0.005","20.367","0.004","33.896","0.004","90","","123.24","0.01","90","","17435","5","113","","113","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C136 H134 Cl8 Co16 N48 O27 -","- C126 H87 Cl8 Co16 N48 O17 -","- C504 H348 Cl32 Co64 N192 O68 -","4","1","","Han, Song-De; Chen, Yong-Qiang; Zhao, Jiong-Peng; Liu, Sui-Jun; Miao, Xiao-Hong; Hu, Tong-Liang; Bu, Xian-He","Solvent-induced structural diversities from discrete cup-shaped Co8 clusters to Co8 cluster-based chains accompanied by in situ ligand conversion","CrystEngComm","2014","16","5","753","","10.1039/c3ce42007h","","","0.71075","MoKα","","0.0854","0.0689","","","0.189","0.2038","","","","","","1.017","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213909","34.484","0.01","20.624","0.006","23.922","0.007","90","","90","","90","","17013","9","113","","113","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C140 H171 Cl8 Co16 N48 O41.5 -","- C124 H81 Cl8 Co16 N48 O16 -","- C496 H324 Cl32 Co64 N192 O64 -","4","1","","Han, Song-De; Chen, Yong-Qiang; Zhao, Jiong-Peng; Liu, Sui-Jun; Miao, Xiao-Hong; Hu, Tong-Liang; Bu, Xian-He","Solvent-induced structural diversities from discrete cup-shaped Co8 clusters to Co8 cluster-based chains accompanied by in situ ligand conversion","CrystEngComm","2014","16","5","753","","10.1039/c3ce42007h","","","0.71075","MoKα","","0.0905","0.0758","","","0.184","0.1961","","","","","","1.012","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213910","18.0747","0.0017","11.8777","0.0011","12.5442","0.0012","90","","90","","90","","2693.1","0.4","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C26 H24 Cu3 N4 O12 -","- C26 H24 Cu3 N4 O12 -","- C104 H96 Cu12 N16 O48 -","4","0.5","","Chang, Xin-Hong; Qin, Jian-Hua; Han, Min-Le; Ma, Lu-Fang; Wang, Li-Ya","Exploring the structural diversities and magnetic properties of copper(ii) and manganese(ii) complexes based on 5-methoxyisophthalate and flexible bis(imidazole) ligands","CrystEngComm","2014","16","5","870","","10.1039/c3ce41641k","","","0.71073","MoKα","","0.034","0.0249","","","0.0625","0.0664","","","","","","1.029","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213911","9.703","0.002","9.703","0.002","13.09","0.003","80.909","0.002","77.613","0.002","62.896","0.002","1068.9","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H44 Cu2 N8 O11 -","- C46 H42 Cu2 N8 O11 -","- C46 H42 Cu2 N8 O11 -","1","0.5","","Chang, Xin-Hong; Qin, Jian-Hua; Han, Min-Le; Ma, Lu-Fang; Wang, Li-Ya","Exploring the structural diversities and magnetic properties of copper(ii) and manganese(ii) complexes based on 5-methoxyisophthalate and flexible bis(imidazole) ligands","CrystEngComm","2014","16","5","870","","10.1039/c3ce41641k","","","0.71073","MoKα","","0.0538","0.038","","","0.094","0.1039","","","","","","1.003","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213912","10.809","0.01","10.847","0.01","12.549","0.011","93.404","0.011","90.14","0.011","118.89","0.01","1285","2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H28 Cu N4 O7 -","- C27 H28 Cu N4 O7 -","- C54 H56 Cu2 N8 O14 -","2","1","","Chang, Xin-Hong; Qin, Jian-Hua; Han, Min-Le; Ma, Lu-Fang; Wang, Li-Ya","Exploring the structural diversities and magnetic properties of copper(ii) and manganese(ii) complexes based on 5-methoxyisophthalate and flexible bis(imidazole) ligands","CrystEngComm","2014","16","5","870","","10.1039/c3ce41641k","","","0.71073","MoKα","","0.0973","0.0533","","","0.1016","0.1205","","","","","","1.01","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213913","9.846","0.007","14.108","0.01","19.466","0.014","97.416","0.008","104.173","0.008","104.323","0.009","2488","3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H46 Mn3 N4 O26 -","- C44 H46 Mn3 N4 O26 -","- C88 H92 Mn6 N8 O52 -","2","1","","Chang, Xin-Hong; Qin, Jian-Hua; Han, Min-Le; Ma, Lu-Fang; Wang, Li-Ya","Exploring the structural diversities and magnetic properties of copper(ii) and manganese(ii) complexes based on 5-methoxyisophthalate and flexible bis(imidazole) ligands","CrystEngComm","2014","16","5","870","","10.1039/c3ce41641k","","","0.71073","MoKα","","0.0854","0.044","","","0.0913","0.1098","","","","","","1.011","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213914","9.6214","0.001","10.068","0.0011","12.9326","0.0014","80.07","0.001","81.24","0.001","62.315","0.001","1089","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H20 Mn N4 O5 -","- C23 H20 Mn N4 O5 -","- C46 H40 Mn2 N8 O10 -","2","1","","Chang, Xin-Hong; Qin, Jian-Hua; Han, Min-Le; Ma, Lu-Fang; Wang, Li-Ya","Exploring the structural diversities and magnetic properties of copper(ii) and manganese(ii) complexes based on 5-methoxyisophthalate and flexible bis(imidazole) ligands","CrystEngComm","2014","16","5","870","","10.1039/c3ce41641k","","","0.71073","MoKα","","0.0442","0.0353","","","0.0999","0.1071","","","","","","1.042","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213915","16.564","0.004","18.302","0.004","15.879","0.003","90","","90","","90","","4813.8","1.8","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C27 H24 Mn N4 O5 -","- C27 H24 Mn N4 O5 -","- C216 H192 Mn8 N32 O40 -","8","1","","Chang, Xin-Hong; Qin, Jian-Hua; Han, Min-Le; Ma, Lu-Fang; Wang, Li-Ya","Exploring the structural diversities and magnetic properties of copper(ii) and manganese(ii) complexes based on 5-methoxyisophthalate and flexible bis(imidazole) ligands","CrystEngComm","2014","16","5","870","","10.1039/c3ce41641k","","","0.71073","MoKα","","0.1346","0.0543","","","0.1072","0.1421","","","","","","0.993","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213916","8.1401","0.0014","18.984","0.003","35.484","0.006","97.85","0.004","94.141","0.004","97.048","0.004","5368.9","1.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C168 H220 N60 Ni6 O26 -","- C168 H220 N60 Ni6 O26 -","- C168 H220 N60 Ni6 O26 -","1","0.5","","Jiang, Xiang; Li, Zijian; Zhai, Yanyun; Yan, Ge; Xia, Hua; Li, Zhaohao","Porous coordination polymers based on azamacrocyclic complex: syntheses, solvent-induced reversible crystal-to-crystal transformation and gas sorption properties","CrystEngComm","2014","16","5","805","","10.1039/c3ce42021c","","","0.71073","MoKα","","0.1636","0.0872","","","0.2149","0.2432","","","","","","1.006","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7213917","31.537","0.005","20.222","0.005","18.93","0.004","90","","120.102","0.004","90","","10444","4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C180 H244 N64 Ni6 O28 -","- C180 H244 N64 Ni6 O28 -","- C360 H488 N128 Ni12 O56 -","2","0.25","","Jiang, Xiang; Li, Zijian; Zhai, Yanyun; Yan, Ge; Xia, Hua; Li, Zhaohao","Porous coordination polymers based on azamacrocyclic complex: syntheses, solvent-induced reversible crystal-to-crystal transformation and gas sorption properties","CrystEngComm","2014","16","5","805","","10.1039/c3ce42021c","","","0.71073","MoKα","","0.1797","0.0755","","","0.1627","0.1834","","","","","","1.045","","","","has coordinates,has disorder","180470","2020-10-21","18:00:00",""
"7213918","8.589","0.004","17.784","0.009","38.729","0.019","90","","102.629","0.011","90","","5773","5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C96 H114 N24 Ni3 O18 -","- C96 H114 N24 Ni3 O18 -","- C192 H228 N48 Ni6 O36 -","2","0.5","","Jiang, Xiang; Li, Zijian; Zhai, Yanyun; Yan, Ge; Xia, Hua; Li, Zhaohao","Porous coordination polymers based on azamacrocyclic complex: syntheses, solvent-induced reversible crystal-to-crystal transformation and gas sorption properties","CrystEngComm","2014","16","5","805","","10.1039/c3ce42021c","","","0.71073","MoKα","","0.151","0.0693","","","0.131","0.1492","","","","","","1.013","","","","has coordinates,has disorder","180470","2020-10-21","18:00:00",""
"7213919","14.6204","0.001","7.6631","0.0004","16.002","0.002","90","","97.234","0.009","90","","1778.6","0.3","120","2","120","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C5 H10 N3 O4 P -","- C5 H10 N3 O4 P -","- C40 H80 N24 O32 P8 -","8","1","","Hursthouse, Michael B.; Montis, Riccardo; Niitsoo, Liisa; Sarson, Jonathan; Threlfall, Terence L.; Asiri, Abdullah Mohamed; Khan, Salman Ahmad; Obaid, Abdullah Yousef; Al-Harbi, Laila Mohammad","Anhydrates and/or hydrates in nitrate, sulphate and phosphate salts of 4-aminopyridine, (4-AP) and 3,4-diaminopyridine (3,4-DAP): the role of the water molecules in the hydrates","CrystEngComm","2014","16","11","2205","","10.1039/c3ce42471e","","","0.71073","MoKα","","0.0405","0.0332","","","0.0973","0.1008","","","","","","1.11","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213920","10.9507","0.0004","6.4615","0.0002","11.2614","0.0003","90","","102.988","0.002","90","","776.45","0.04","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","4-aminopyridinium_hydrogenosulfate","","","- C5 H8 N2 O4 S -","- C5 H8 N2 O4 S -","- C20 H32 N8 O16 S4 -","4","1","","Hursthouse, Michael B.; Montis, Riccardo; Niitsoo, Liisa; Sarson, Jonathan; Threlfall, Terence L.; Asiri, Abdullah Mohamed; Khan, Salman Ahmad; Obaid, Abdullah Yousef; Al-Harbi, Laila Mohammad","Anhydrates and/or hydrates in nitrate, sulphate and phosphate salts of 4-aminopyridine, (4-AP) and 3,4-diaminopyridine (3,4-DAP): the role of the water molecules in the hydrates","CrystEngComm","2014","16","11","2205","","10.1039/c3ce42471e","","","0.71073","MoKα","","0.0409","0.033","","","0.0944","0.1","","","","","","1.065","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213921","9.1718","0.0006","6.9081","0.0004","10.8243","0.0007","90","","93.617","0.007","90","","684.46","0.07","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H7 N3 O3 -","- C5 H7 N3 O3 -","- C20 H28 N12 O12 -","4","1","","Hursthouse, Michael B.; Montis, Riccardo; Niitsoo, Liisa; Sarson, Jonathan; Threlfall, Terence L.; Asiri, Abdullah Mohamed; Khan, Salman Ahmad; Obaid, Abdullah Yousef; Al-Harbi, Laila Mohammad","Anhydrates and/or hydrates in nitrate, sulphate and phosphate salts of 4-aminopyridine, (4-AP) and 3,4-diaminopyridine (3,4-DAP): the role of the water molecules in the hydrates","CrystEngComm","2014","16","11","2205","","10.1039/c3ce42471e","","","0.71073","MoKα","","0.0579","0.0518","","","0.1411","0.1433","","","","","","1.042","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213922","7.2785","0.0004","7.9141","0.0004","8.9022","0.0006","77.651","0.006","71.756","0.005","67.405","0.005","447.06","0.05","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C5 H11 N2 O5 P -","- C5 H11 N2 O5 P -","- C10 H22 N4 O10 P2 -","2","1","","Hursthouse, Michael B.; Montis, Riccardo; Niitsoo, Liisa; Sarson, Jonathan; Threlfall, Terence L.; Asiri, Abdullah Mohamed; Khan, Salman Ahmad; Obaid, Abdullah Yousef; Al-Harbi, Laila Mohammad","Anhydrates and/or hydrates in nitrate, sulphate and phosphate salts of 4-aminopyridine, (4-AP) and 3,4-diaminopyridine (3,4-DAP): the role of the water molecules in the hydrates","CrystEngComm","2014","16","11","2205","","10.1039/c3ce42471e","","","0.71073","MoKα","","0.0308","0.027","","","0.0726","0.0791","","","","","","1.147","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213923","6.4515","0.0002","8.4229","0.0002","12.4728","0.0008","96.429","0.007","97.523","0.007","95.349","0.007","663.7","0.05","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H16 N4 O5 S -","- C10 H16 N4 O5 S -","- C20 H32 N8 O10 S2 -","2","1","","Hursthouse, Michael B.; Montis, Riccardo; Niitsoo, Liisa; Sarson, Jonathan; Threlfall, Terence L.; Asiri, Abdullah Mohamed; Khan, Salman Ahmad; Obaid, Abdullah Yousef; Al-Harbi, Laila Mohammad","Anhydrates and/or hydrates in nitrate, sulphate and phosphate salts of 4-aminopyridine, (4-AP) and 3,4-diaminopyridine (3,4-DAP): the role of the water molecules in the hydrates","CrystEngComm","2014","16","11","2205","","10.1039/c3ce42471e","","","0.71073","MoKα","","0.0375","0.0326","","","0.1001","0.1134","","","","","","1.192","","","","has coordinates,has disorder","180470","2020-10-21","18:00:00",""
"7213924","7.0735","0.0005","11.0546","0.0008","9.4018","0.0006","90","","92.308","0.007","90","","734.57","0.09","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C5 H8 N4 O3 -","- C5 H8 N4 O3 -","- C20 H32 N16 O12 -","4","1","","Hursthouse, Michael B.; Montis, Riccardo; Niitsoo, Liisa; Sarson, Jonathan; Threlfall, Terence L.; Asiri, Abdullah Mohamed; Khan, Salman Ahmad; Obaid, Abdullah Yousef; Al-Harbi, Laila Mohammad","Anhydrates and/or hydrates in nitrate, sulphate and phosphate salts of 4-aminopyridine, (4-AP) and 3,4-diaminopyridine (3,4-DAP): the role of the water molecules in the hydrates","CrystEngComm","2014","16","11","2205","","10.1039/c3ce42471e","","","0.71073","MoKα","","0.0409","0.0338","","","0.0853","0.0884","","","","","","1.098","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213925","17.0057","0.0011","12.7153","0.0004","9.1321","0.0003","90","","90","","90","","1974.66","0.16","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C5 H11 N5 O7 -","- C5 H11 N5 O7 -","- C40 H88 N40 O56 -","8","1","","Hursthouse, Michael B.; Montis, Riccardo; Niitsoo, Liisa; Sarson, Jonathan; Threlfall, Terence L.; Asiri, Abdullah Mohamed; Khan, Salman Ahmad; Obaid, Abdullah Yousef; Al-Harbi, Laila Mohammad","Anhydrates and/or hydrates in nitrate, sulphate and phosphate salts of 4-aminopyridine, (4-AP) and 3,4-diaminopyridine (3,4-DAP): the role of the water molecules in the hydrates","CrystEngComm","2014","16","11","2205","","10.1039/c3ce42471e","","","0.71073","MoKα","","0.0301","0.0283","","","0.0747","0.0757","","","","","","1.081","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213926","15.2902","0.001","15.2902","0.001","13.2563","0.0007","90","","90","","90","","3099.2","0.3","120","2","120","2","","","","","","","","5","I 41/a :2","-I 4ad","88","bis(3,4-diaminopyridinium)_sulfate_dihydrate","","","- C10 H20 N6 O6 S -","- C10 H20 N6 O6 S -","- C80 H160 N48 O48 S8 -","8","0.5","","Hursthouse, Michael B.; Montis, Riccardo; Niitsoo, Liisa; Sarson, Jonathan; Threlfall, Terence L.; Asiri, Abdullah Mohamed; Khan, Salman Ahmad; Obaid, Abdullah Yousef; Al-Harbi, Laila Mohammad","Anhydrates and/or hydrates in nitrate, sulphate and phosphate salts of 4-aminopyridine, (4-AP) and 3,4-diaminopyridine (3,4-DAP): the role of the water molecules in the hydrates","CrystEngComm","2014","16","11","2205","","10.1039/c3ce42471e","","","0.71073","MoKα","","0.1177","0.0622","","","0.154","0.1768","","","","","","1.024","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213927","6.9429","0.0003","10.2338","0.0005","14.5568","0.0008","103.319","0.002","100.97","0.003","92.592","0.003","983.78","0.09","120","2","120","2","","","","","","","","5","P -1","-P 1","2","3,4-diaminopyridinium_sulfate_dihydrate","","","- C5 H13 N3 O6 S -","- C5 H13 N3 O6 S -","- C20 H52 N12 O24 S4 -","4","2","","Hursthouse, Michael B.; Montis, Riccardo; Niitsoo, Liisa; Sarson, Jonathan; Threlfall, Terence L.; Asiri, Abdullah Mohamed; Khan, Salman Ahmad; Obaid, Abdullah Yousef; Al-Harbi, Laila Mohammad","Anhydrates and/or hydrates in nitrate, sulphate and phosphate salts of 4-aminopyridine, (4-AP) and 3,4-diaminopyridine (3,4-DAP): the role of the water molecules in the hydrates","CrystEngComm","2014","16","11","2205","","10.1039/c3ce42471e","","","0.71073","MoKα","","0.0981","0.0545","","","0.1187","0.1381","","","","","","1.054","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213928","9.8733","0.0003","13.7275","0.0005","16.1107","0.0005","102.603","0.001","105.275","0.001","106.803","0.002","1911.32","0.11","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H40 Co2 N8 O10 -","- C36 H40 Co2 N8 O10 -","- C72 H80 Co4 N16 O20 -","2","1","","Dey, Rajdip; Bhattacharya, Biswajit; Pachfule, Pradip; Banerjee, Rahul; Ghoshal, Debajyoti","Flexible dicarboxylate based pillar-layer metal organic frameworks: differences in structure and porosity by tuning the pyridyl based N,N′ linkers","CrystEngComm","2014","16","11","2305","","10.1039/c3ce42028k","","","0.71073","MoKα","","0.0846","0.0446","","","0.0922","0.1049","","","","","","1.015","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213929","14.9099","0.0005","21.0323","0.0007","8.5659","0.0003","90","","94.401","0.002","90","","2678.26","0.16","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H30 Co N4 O9 -","- C19 H30 Co N4 O9 -","- C76 H120 Co4 N16 O36 -","4","1","","Dey, Rajdip; Bhattacharya, Biswajit; Pachfule, Pradip; Banerjee, Rahul; Ghoshal, Debajyoti","Flexible dicarboxylate based pillar-layer metal organic frameworks: differences in structure and porosity by tuning the pyridyl based N,N′ linkers","CrystEngComm","2014","16","11","2305","","10.1039/c3ce42028k","","","0.71073","MoKα","","0.1181","0.0715","","","0.2112","0.2437","","","","","","1.056","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213930","7.941","0.0003","10.7157","0.0004","12.0719","0.0004","93.337","0.002","93.883","0.002","111.134","0.002","952.17","0.06","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H18 N4 O5 Zn -","- C17 H18 N4 O5 Zn -","- C34 H36 N8 O10 Zn2 -","2","1","","Dey, Rajdip; Bhattacharya, Biswajit; Pachfule, Pradip; Banerjee, Rahul; Ghoshal, Debajyoti","Flexible dicarboxylate based pillar-layer metal organic frameworks: differences in structure and porosity by tuning the pyridyl based N,N′ linkers","CrystEngComm","2014","16","11","2305","","10.1039/c3ce42028k","","","0.71073","MoKα","","0.0663","0.049","","","0.1364","0.1483","","","","","","1.043","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213931","5.2008","0.0003","9.1754","0.0004","16.7077","0.0008","96.307","0.003","97.88","0.003","101.052","0.003","767.47","0.07","298","","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H19 N2 O7 Zn -","- C12 H19 N2 O7 Zn -","- C24 H38 N4 O14 Zn2 -","2","1","","Dey, Rajdip; Bhattacharya, Biswajit; Pachfule, Pradip; Banerjee, Rahul; Ghoshal, Debajyoti","Flexible dicarboxylate based pillar-layer metal organic frameworks: differences in structure and porosity by tuning the pyridyl based N,N′ linkers","CrystEngComm","2014","16","11","2305","","10.1039/c3ce42028k","","","0.71073","MoKα","","0.0674","0.0453","","","0.1026","0.1101","","","","","","1.034","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213932","8.6482","0.0002","10.2848","0.0002","12.7911","0.0003","93.53","0.001","108.249","0.001","111.453","0.001","985.46","0.04","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 Cd N4 O5 -","- C18 H20 Cd N4 O5 -","- C36 H40 Cd2 N8 O10 -","2","1","","Dey, Rajdip; Bhattacharya, Biswajit; Pachfule, Pradip; Banerjee, Rahul; Ghoshal, Debajyoti","Flexible dicarboxylate based pillar-layer metal organic frameworks: differences in structure and porosity by tuning the pyridyl based N,N′ linkers","CrystEngComm","2014","16","11","2305","","10.1039/c3ce42028k","","","0.71073","MoKα","","0.0338","0.0292","","","0.0697","0.0721","","","","","","1.053","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213933","15.8904","0.0003","15.8904","0.0003","29.0281","0.001","90","","90","","90","","7329.7","0.3","298","","298","","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C33 H34 Cd2 N10 O10 -","- C33 H34 Cd2 N10 O10 -","- C264 H272 Cd16 N80 O80 -","8","0.5","","Dey, Rajdip; Bhattacharya, Biswajit; Pachfule, Pradip; Banerjee, Rahul; Ghoshal, Debajyoti","Flexible dicarboxylate based pillar-layer metal organic frameworks: differences in structure and porosity by tuning the pyridyl based N,N′ linkers","CrystEngComm","2014","16","11","2305","","10.1039/c3ce42028k","","","0.71073","MoKα","","0.0292","0.0238","","","0.0505","0.0531","","","","","","1.053","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213934","8.87","0.0018","22.049","0.004","15.806","0.003","90","","98.02","0.03","90","","3061","1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H11 Dy F18 N4 O6 -","- C21 H11 Dy F18 N4 O6 -","- C84 H44 Dy4 F72 N16 O24 -","4","1","","Wang, Ya-Li; Gu, Bin; Ma, Yue; Xing, Cui; Wang, Qing-Lun; Li, Li-Cun; Cheng, Peng; Liao, Dai-Zheng","A new D2d-symmetry DyIII mononuclear single-molecule magnet containing a monodentate N-heterocyclic donor ligand","CrystEngComm","2014","16","11","2283","","10.1039/c3ce42212g","","","0.71073","MoKα","","0.0872","0.0598","","","0.1149","0.1247","","","","","","1.099","","","","has coordinates,has disorder","180470","2020-10-21","18:00:00",""
"7213935","8.94","0.0018","22.222","0.004","15.95","0.003","90","","97.63","0.03","90","","3140.6","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H11 F18 N4 O6 Tb -","- C21 H11 F18 N4 O6 Tb -","- C84 H44 F72 N16 O24 Tb4 -","4","1","","Wang, Ya-Li; Gu, Bin; Ma, Yue; Xing, Cui; Wang, Qing-Lun; Li, Li-Cun; Cheng, Peng; Liao, Dai-Zheng","A new D2d-symmetry DyIII mononuclear single-molecule magnet containing a monodentate N-heterocyclic donor ligand","CrystEngComm","2014","16","11","2283","","10.1039/c3ce42212g","","","0.71073","MoKα","","0.0695","0.0551","","","0.1338","0.1428","","","","","","1.102","","","","has coordinates,has disorder","180470","2020-10-21","18:00:00",""
"7213936","8.935","0.0018","22.252","0.004","16.011","0.003","90","","97.77","0.03","90","","3154.1","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H11 F18 Ho N4 O6 -","- C21 H11 F18 Ho N4 O6 -","- C84 H44 F72 Ho4 N16 O24 -","4","1","","Wang, Ya-Li; Gu, Bin; Ma, Yue; Xing, Cui; Wang, Qing-Lun; Li, Li-Cun; Cheng, Peng; Liao, Dai-Zheng","A new D2d-symmetry DyIII mononuclear single-molecule magnet containing a monodentate N-heterocyclic donor ligand","CrystEngComm","2014","16","11","2283","","10.1039/c3ce42212g","","","0.71073","MoKα","","0.0826","0.0602","","","0.1381","0.1498","","","","","","1.103","","","","has coordinates,has disorder","180470","2020-10-21","18:00:00",""
"7213937","28.369","0.004","28.369","0.004","14.436","0.003","90","","90","","90","","11618","3","293","2","293","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C80 H66 As8 Cu4 N16 O43 V14 -","- C80 H64 As8 Cu4 N16 O43 V14 -","- C320 H256 As32 Cu16 N64 O172 V56 -","4","0.25","","Guo, Hai-Yang; Li, Zhi-Fang; Zhao, De-Chuan; Hu, Yang-Yang; Xiao, Li-Na; Cui, Xiao-Bing; Guan, Jing-Qi; Xu, Ji-Qing","The synthesis and characterization of three organic‒inorganic hybrids based on different transition metal complexes and {As8V14O42(H2O)} clusters","CrystEngComm","2014","16","11","2251","","10.1039/c3ce42450b","","","0.71073","MoKα","","0.1513","0.0654","","","0.1817","0.2244","","","","","","1.004","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213938","26.4776","0.0012","16.8267","0.0011","27.5248","0.0011","90","","90","","90","","12263.1","1.1","296","2","296","2","","","","","","","","7","A b a 2","A 2 -2ab","41","","","","- C96 H66 As8 Cu4 N16 O43 V14 -","- C96 H64 As8 Cu4 N16 O43 V14 -","- C384 H256 As32 Cu16 N64 O172 V56 -","4","","","Guo, Hai-Yang; Li, Zhi-Fang; Zhao, De-Chuan; Hu, Yang-Yang; Xiao, Li-Na; Cui, Xiao-Bing; Guan, Jing-Qi; Xu, Ji-Qing","The synthesis and characterization of three organic‒inorganic hybrids based on different transition metal complexes and {As8V14O42(H2O)} clusters","CrystEngComm","2014","16","11","2251","","10.1039/c3ce42450b","","","0.71073","MoKα","","0.0894","0.0558","","","0.1337","0.1519","","","","","","0.998","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213939","15.118","0.002","15.118","0.002","38.962","0.008","90","","90","","90","","8905","2","293","2","293","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C36 H50 As8 N24 Ni2 O49 V14 -","- C36 H36 As8 N24 Ni2 O49 V14 -","- C144 H144 As32 N96 Ni8 O196 V56 -","4","0.25","","Guo, Hai-Yang; Li, Zhi-Fang; Zhao, De-Chuan; Hu, Yang-Yang; Xiao, Li-Na; Cui, Xiao-Bing; Guan, Jing-Qi; Xu, Ji-Qing","The synthesis and characterization of three organic‒inorganic hybrids based on different transition metal complexes and {As8V14O42(H2O)} clusters","CrystEngComm","2014","16","11","2251","","10.1039/c3ce42450b","","","0.71073","MoKα","","0.0516","0.0379","","","0.1029","0.1084","","","","","","1.036","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213940","14.9603","0.0011","17.1932","0.0013","27.477","0.002","90","","90","","90","","7067.5","0.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C74 H62 N8 O22 Zn5 -","- C74 H52 N8 O22 Zn5 -","- C296 H208 N32 O88 Zn20 -","4","0.5","","Guo, Huadong; Guo, Xianmin; Zou, Hengye; Qi, Yanjuan; Chen, Ruizhan","Syntheses, structures and luminescent properties of seven metal‒organic frameworks constructed with a rigid bis(imidazole) ligand and versatile carboxylate acids","CrystEngComm","2014","16","11","2176","","10.1039/c3ce42339e","","","0.71073","MoKα","","0.0847","0.0406","","","0.0863","0.1031","","","","","","1.004","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213941","28.3903","0.0012","13.8667","0.0006","14.3593","0.0006","90","","107.254","0.001","90","","5398.6","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H26 N4 O6 Zn -","- C29 H22 N4 O6 Zn -","- C232 H176 N32 O48 Zn8 -","8","1","","Guo, Huadong; Guo, Xianmin; Zou, Hengye; Qi, Yanjuan; Chen, Ruizhan","Syntheses, structures and luminescent properties of seven metal‒organic frameworks constructed with a rigid bis(imidazole) ligand and versatile carboxylate acids","CrystEngComm","2014","16","11","2176","","10.1039/c3ce42339e","","","0.71073","MoKα","","0.0412","0.034","","","0.0906","0.0946","","","","","","1.027","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213942","9.9705","0.0006","10.7624","0.0007","15.0951","0.0014","104.684","0.001","95.097","0.001","111.948","0.001","1422.59","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H28 Cd N4 O7 -","- C29 H22 Cd N4 O7 -","- C58 H44 Cd2 N8 O14 -","2","1","","Guo, Huadong; Guo, Xianmin; Zou, Hengye; Qi, Yanjuan; Chen, Ruizhan","Syntheses, structures and luminescent properties of seven metal‒organic frameworks constructed with a rigid bis(imidazole) ligand and versatile carboxylate acids","CrystEngComm","2014","16","11","2176","","10.1039/c3ce42339e","","","0.71073","MoKα","","0.0524","0.0398","","","0.1002","0.1135","","","","","","1.07","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213943","11.774","0.005","11.812","0.005","14.993","0.005","97.373","0.005","93.976","0.005","114.192","0.005","1869.1","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H42 Cd2 N4 O10 -","- C37 H28 Cd2 N4 O10 -","- C74 H56 Cd4 N8 O20 -","2","1","","Guo, Huadong; Guo, Xianmin; Zou, Hengye; Qi, Yanjuan; Chen, Ruizhan","Syntheses, structures and luminescent properties of seven metal‒organic frameworks constructed with a rigid bis(imidazole) ligand and versatile carboxylate acids","CrystEngComm","2014","16","11","2176","","10.1039/c3ce42339e","","","0.71069","MoKα","","0.0542","0.038","","","0.1011","0.1128","","","","","","1.075","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213944","13.977","0.005","17.017","0.005","24.062","0.005","90","0.005","93.727","0.005","90","0.005","5711","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H30 Cd N4 O5 -","- C29 H28 Cd N4 O5 -","- C232 H224 Cd8 N32 O40 -","8","1","","Guo, Huadong; Guo, Xianmin; Zou, Hengye; Qi, Yanjuan; Chen, Ruizhan","Syntheses, structures and luminescent properties of seven metal‒organic frameworks constructed with a rigid bis(imidazole) ligand and versatile carboxylate acids","CrystEngComm","2014","16","11","2176","","10.1039/c3ce42339e","","","0.71069","MoKα","","0.0594","0.036","","","0.0884","0.0971","","","","","","1.027","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213945","13.0926","0.0005","20.9762","0.0008","20.0992","0.0008","90","","94.123","0.001","90","","5505.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H44 N8 O13 Zn2 -","- C60 H42 N8 O13 Zn2 -","- C240 H168 N32 O52 Zn8 -","4","1","","Guo, Huadong; Guo, Xianmin; Zou, Hengye; Qi, Yanjuan; Chen, Ruizhan","Syntheses, structures and luminescent properties of seven metal‒organic frameworks constructed with a rigid bis(imidazole) ligand and versatile carboxylate acids","CrystEngComm","2014","16","11","2176","","10.1039/c3ce42339e","","","0.71073","MoKα","","0.0839","0.051","","","0.1263","0.1448","","","","","","1.021","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213946","13.698","0.005","16.879","0.005","18.153","0.005","110.202","0.005","91.837","0.005","109.065","0.005","3673","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C81 H66 Cd3 N12 O15 -","- C81 H60 Cd3 N12 O15 -","- C162 H120 Cd6 N24 O30 -","2","1","","Guo, Huadong; Guo, Xianmin; Zou, Hengye; Qi, Yanjuan; Chen, Ruizhan","Syntheses, structures and luminescent properties of seven metal‒organic frameworks constructed with a rigid bis(imidazole) ligand and versatile carboxylate acids","CrystEngComm","2014","16","11","2176","","10.1039/c3ce42339e","","","0.71069","MoKα","","0.0542","0.0408","","","0.0942","0.1032","","","","","","1.025","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213947","20.201","0.014","9.992","0.007","21.796","0.015","90","","91.234","0.012","90","","4398","5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H42 Co2 N6 O9 -","- C54 H42 Co2 N6 O9 -","- C216 H168 Co8 N24 O36 -","4","0.5","","Fan, Liming; Zhang, Xiutang; Zhang, Wei; Ding, Yuanshuai; Fan, Weiliu; Sun, Liming; Zhao, Xian","Syntheses, structures, and properties of a series of 2D and 3D coordination polymers based on trifunctional pyridinedicarboxylate and different (bis)imidazole bridging ligands","CrystEngComm","2014","16","11","2144","","10.1039/c3ce42203h","","","0.71073","MoKα","","0.0757","0.0472","","","0.1163","0.1359","","","","","","0.997","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213948","20.3079","0.0015","10.1909","0.0008","21.8461","0.0016","90","","91.201","0.002","90","","4520.2","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H20 Cu N3 O4 -","- C27 H20 Cu N3 O4 -","- C216 H160 Cu8 N24 O32 -","8","1","","Fan, Liming; Zhang, Xiutang; Zhang, Wei; Ding, Yuanshuai; Fan, Weiliu; Sun, Liming; Zhao, Xian","Syntheses, structures, and properties of a series of 2D and 3D coordination polymers based on trifunctional pyridinedicarboxylate and different (bis)imidazole bridging ligands","CrystEngComm","2014","16","11","2144","","10.1039/c3ce42203h","","","0.71073","MoKα","","0.0837","0.0532","","","0.1298","0.1494","","","","","","1","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213949","20.249","0.01","10.011","0.005","22.164","0.012","90","","91.228","0.012","90","","4492","4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H20 N3 Ni O4 -","- C27 H20 N3 Ni O4 -","- C216 H160 N24 Ni8 O32 -","8","1","","Fan, Liming; Zhang, Xiutang; Zhang, Wei; Ding, Yuanshuai; Fan, Weiliu; Sun, Liming; Zhao, Xian","Syntheses, structures, and properties of a series of 2D and 3D coordination polymers based on trifunctional pyridinedicarboxylate and different (bis)imidazole bridging ligands","CrystEngComm","2014","16","11","2144","","10.1039/c3ce42203h","","","0.71073","MoKα","","0.1267","0.0572","","","0.1034","0.1259","","","","","","1.002","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213950","27.381","0.006","11.289","0.002","18.02","0.004","90","","117.075","0.004","90","","4959.6","1.8","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C112 H94 Co4 N12 O27 -","- C112 H94 Co4 N12 O27 -","- C224 H188 Co8 N24 O54 -","2","0.5","","Fan, Liming; Zhang, Xiutang; Zhang, Wei; Ding, Yuanshuai; Fan, Weiliu; Sun, Liming; Zhao, Xian","Syntheses, structures, and properties of a series of 2D and 3D coordination polymers based on trifunctional pyridinedicarboxylate and different (bis)imidazole bridging ligands","CrystEngComm","2014","16","11","2144","","10.1039/c3ce42203h","","","0.71073","MoKα","","0.0893","0.0585","","","0.1293","0.1518","","","","","","0.997","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213951","26.386","0.002","11.3957","0.001","17.5666","0.0019","90","","115.712","0.001","90","","4759.1","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H20 Cu N3 O5 -","- C28 H20 Cu N3 O5 -","- C224 H160 Cu8 N24 O40 -","8","1","","Fan, Liming; Zhang, Xiutang; Zhang, Wei; Ding, Yuanshuai; Fan, Weiliu; Sun, Liming; Zhao, Xian","Syntheses, structures, and properties of a series of 2D and 3D coordination polymers based on trifunctional pyridinedicarboxylate and different (bis)imidazole bridging ligands","CrystEngComm","2014","16","11","2144","","10.1039/c3ce42203h","","","0.71073","MoKα","","0.1123","0.0634","","","0.1649","0.1987","","","","","","0.999","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213952","32.498","0.008","12.812","0.003","18.172","0.005","90","","94.661","0.005","90","","7541","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H35 N5 Ni O7 -","- C39 H35 N5 Ni O7 -","- C312 H280 N40 Ni8 O56 -","8","1","","Fan, Liming; Zhang, Xiutang; Zhang, Wei; Ding, Yuanshuai; Fan, Weiliu; Sun, Liming; Zhao, Xian","Syntheses, structures, and properties of a series of 2D and 3D coordination polymers based on trifunctional pyridinedicarboxylate and different (bis)imidazole bridging ligands","CrystEngComm","2014","16","11","2144","","10.1039/c3ce42203h","","","0.71073","MoKα","","0.135","0.085","","","0.2414","0.2864","","","","","","1.002","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213953","11.6916","0.0006","11.7881","0.0006","12.651","0.0006","82.071","0.001","83.113","0.001","82.638","0.001","1703.38","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H29 Co N5 O4 -","- C39 H29 Co N5 O4 -","- C78 H58 Co2 N10 O8 -","2","1","","Fan, Liming; Zhang, Xiutang; Zhang, Wei; Ding, Yuanshuai; Fan, Weiliu; Sun, Liming; Zhao, Xian","Syntheses, structures, and properties of a series of 2D and 3D coordination polymers based on trifunctional pyridinedicarboxylate and different (bis)imidazole bridging ligands","CrystEngComm","2014","16","11","2144","","10.1039/c3ce42203h","","","0.71073","MoKα","","0.0609","0.0487","","","0.1409","0.1518","","","","","","1.003","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213954","20.768","0.005","10.017","0.003","16.158","0.004","90","","121.098","0.004","90","","2878.3","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 Mn N O6 -","- C14 H12 Mn N O6 -","- C112 H96 Mn8 N8 O48 -","8","1","","Fan, Liming; Zhang, Xiutang; Zhang, Wei; Ding, Yuanshuai; Fan, Weiliu; Sun, Liming; Zhao, Xian","Syntheses, structures, and properties of a series of 2D and 3D coordination polymers based on trifunctional pyridinedicarboxylate and different (bis)imidazole bridging ligands","CrystEngComm","2014","16","11","2144","","10.1039/c3ce42203h","","","0.71073","MoKα","","0.0598","0.0538","","","0.185","0.1914","","","","","","0.999","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213955","17.241","0.006","15.95","0.006","16.74","0.006","90","","108.386","0.007","90","","4368","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 N3 Ni O7 -","- C22 H20 N3 Ni O7 -","- C176 H160 N24 Ni8 O56 -","8","1","","Fan, Liming; Zhang, Xiutang; Zhang, Wei; Ding, Yuanshuai; Fan, Weiliu; Sun, Liming; Zhao, Xian","Syntheses, structures, and properties of a series of 2D and 3D coordination polymers based on trifunctional pyridinedicarboxylate and different (bis)imidazole bridging ligands","CrystEngComm","2014","16","11","2144","","10.1039/c3ce42203h","","","0.71073","MoKα","","0.1541","0.0673","","","0.1448","0.1829","","","","","","0.997","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213956","16.821","0.0012","19.1858","0.0014","20.6555","0.0015","90","","90","","90","","6666","0.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C33 H33 Cu N5 O8 -","- C33 H33 Cu N5 O8 -","- C264 H264 Cu8 N40 O64 -","8","1","","Fan, Liming; Zhang, Xiutang; Zhang, Wei; Ding, Yuanshuai; Fan, Weiliu; Sun, Liming; Zhao, Xian","Syntheses, structures, and properties of a series of 2D and 3D coordination polymers based on trifunctional pyridinedicarboxylate and different (bis)imidazole bridging ligands","CrystEngComm","2014","16","11","2144","","10.1039/c3ce42203h","","","0.71073","MoKα","","0.1506","0.0658","","","0.1512","0.1747","","","","","","1.002","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213957","27.504","0.003","14.3017","0.0015","13.3049","0.0016","90","","102.667","0.002","90","","5106.2","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H44 Cd4 N12 O24 -","- C42 H28 Cd4 N12 O24 -","- C168 H112 Cd16 N48 O96 -","4","1","","Li, Jie; Sheng, Tianlu; Bai, Songyan; Hu, Shengmin; Wen, Yuehong; Fu, Ruibiao; Huang, Yihui; Xue, Zhenzhen; Wu, Xintao","A series of metal‒organic frameworks containing diverse secondary building units derived from a flexible triazine-based tetracarboxylic ligand","CrystEngComm","2014","16","11","2188","","10.1039/c3ce42045k","","","0.71073","MoKα","","0.0611","0.0547","","","0.1557","0.1647","","","","","","1.113","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213958","8.8692","0.0007","13.3176","0.0014","15.8973","0.0015","103.897","0.004","96.463","0.002","98.338","0.004","1782.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H39 N9 O13 Zn2 -","- C30 H35 N9 O13 Zn2 -","- C60 H70 N18 O26 Zn4 -","2","1","","Li, Jie; Sheng, Tianlu; Bai, Songyan; Hu, Shengmin; Wen, Yuehong; Fu, Ruibiao; Huang, Yihui; Xue, Zhenzhen; Wu, Xintao","A series of metal‒organic frameworks containing diverse secondary building units derived from a flexible triazine-based tetracarboxylic ligand","CrystEngComm","2014","16","11","2188","","10.1039/c3ce42045k","","","0.71073","MoKα","","0.0608","0.0467","","","0.1244","0.1317","","","","","","1.056","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213959","16.915","0.005","9.686","0.003","17.4","0.005","90","","106.905","0.004","90","","2727.6","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 N7 O12 Zn2.5 -","- C24 H14 N7 O12 Zn2.5 -","- C96 H56 N28 O48 Zn10 -","4","1","","Li, Jie; Sheng, Tianlu; Bai, Songyan; Hu, Shengmin; Wen, Yuehong; Fu, Ruibiao; Huang, Yihui; Xue, Zhenzhen; Wu, Xintao","A series of metal‒organic frameworks containing diverse secondary building units derived from a flexible triazine-based tetracarboxylic ligand","CrystEngComm","2014","16","11","2188","","10.1039/c3ce42045k","","","0.71073","MoKα","","0.0876","0.0797","","","0.2083","0.2169","","","","","","1.049","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7213960","29.542","0.008","7.3171","0.0018","35.757","0.01","90","","98.761","0.005","90","","7639","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H44 N8 O16 Zn2 -","- C31 H32 N8 O16 Zn2 -","- C248 H256 N64 O128 Zn16 -","8","1","","Li, Jie; Sheng, Tianlu; Bai, Songyan; Hu, Shengmin; Wen, Yuehong; Fu, Ruibiao; Huang, Yihui; Xue, Zhenzhen; Wu, Xintao","A series of metal‒organic frameworks containing diverse secondary building units derived from a flexible triazine-based tetracarboxylic ligand","CrystEngComm","2014","16","11","2188","","10.1039/c3ce42045k","","","0.71073","MoKα","","0.0535","0.0479","","","0.1352","0.1411","","","","","","1.052","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213961","16.804","0.002","16.228","0.002","26.461","0.004","90","","103.17","0.002","90","","7026","1.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H72 Cd4 N16 O28 -","- C54.002 H56 Cd4 N16 O28 -","- C216.008 H224 Cd16 N64 O112 -","4","1","","Li, Jie; Sheng, Tianlu; Bai, Songyan; Hu, Shengmin; Wen, Yuehong; Fu, Ruibiao; Huang, Yihui; Xue, Zhenzhen; Wu, Xintao","A series of metal‒organic frameworks containing diverse secondary building units derived from a flexible triazine-based tetracarboxylic ligand","CrystEngComm","2014","16","11","2188","","10.1039/c3ce42045k","","","0.71073","MoKα","","0.0665","0.0523","","","0.1373","0.1523","","","","","","1.08","","","","has coordinates,has disorder","180470","2020-10-21","18:00:00",""
"7213962","9.7346","0.0019","9.761","0.002","12.173","0.002","103.67","0.03","102.74","0.03","107.87","0.03","1014.6","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H19 Ag N2 O4 -","- C24 H19 Ag N2 O4 -","- C48 H38 Ag2 N4 O8 -","2","1","","Li, Ni-Ya; Ge, Yu; Wang, Tao; Wang, Shu-Jun; Ji, Xue-Ying; Liu, Dong","Construction of a series of coordination polymers based on 1,4-naphthalenedicarboxylic and flexible dipyridyl ligands","CrystEngComm","2014","16","11","2168","","10.1039/c3ce42148a","","","0.71073","MoKα","","0.0413","0.0337","","","0.0688","0.0711","","","","","","1.114","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213963","11.812","0.002","9.6182","0.0019","19.06","0.004","90","","103.55","0.03","90","","2105.1","0.8","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 Ag N2 O4 -","- C25 H21 Ag N2 O4 -","- C100 H84 Ag4 N8 O16 -","4","1","","Li, Ni-Ya; Ge, Yu; Wang, Tao; Wang, Shu-Jun; Ji, Xue-Ying; Liu, Dong","Construction of a series of coordination polymers based on 1,4-naphthalenedicarboxylic and flexible dipyridyl ligands","CrystEngComm","2014","16","11","2168","","10.1039/c3ce42148a","","","0.71073","MoKα","","0.0406","0.0327","","","0.0833","0.089","","","","","","1.017","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213964","15.72","0.003","16.12","0.003","13.476","0.003","90","","116.42","0.03","90","","3058.2","1.3","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 Cd N O4 -","- C18 H12 Cd N O4 -","- C144 H96 Cd8 N8 O32 -","8","1","","Li, Ni-Ya; Ge, Yu; Wang, Tao; Wang, Shu-Jun; Ji, Xue-Ying; Liu, Dong","Construction of a series of coordination polymers based on 1,4-naphthalenedicarboxylic and flexible dipyridyl ligands","CrystEngComm","2014","16","11","2168","","10.1039/c3ce42148a","","","0.71073","MoKα","","0.0259","0.0249","","","0.0622","0.0628","","","","","","1.192","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213965","16.616","0.003","15.383","0.003","14.774","0.003","90","","120.63","0.03","90","","3249.4","1.5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37 H26 Cd2 N2 O8 -","- C37 H26 Cd2 N2 O8 -","- C148 H104 Cd8 N8 O32 -","4","0.5","","Li, Ni-Ya; Ge, Yu; Wang, Tao; Wang, Shu-Jun; Ji, Xue-Ying; Liu, Dong","Construction of a series of coordination polymers based on 1,4-naphthalenedicarboxylic and flexible dipyridyl ligands","CrystEngComm","2014","16","11","2168","","10.1039/c3ce42148a","","","0.71073","MoKα","","0.0344","0.0277","","","0.056","0.058","","","","","","1.135","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213966","18.884","0.004","16.206","0.003","10.375","0.002","90","","90","","90","","3175.1","1.1","298","2","298","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C18 H12 N O4 Zn -","- C18 H12 N O4 Zn -","- C144 H96 N8 O32 Zn8 -","8","","","Li, Ni-Ya; Ge, Yu; Wang, Tao; Wang, Shu-Jun; Ji, Xue-Ying; Liu, Dong","Construction of a series of coordination polymers based on 1,4-naphthalenedicarboxylic and flexible dipyridyl ligands","CrystEngComm","2014","16","11","2168","","10.1039/c3ce42148a","","","0.71073","MoKα","","0.0754","0.0716","","","0.1798","0.184","","","","","","1.067","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7213967","16.466","0.003","15.188","0.003","25.146","0.005","90","","90","","90","","6289","2","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C37 H28 Co2 N2 O9 -","- C37 H28 Co2 N2 O9 -","- C296 H224 Co16 N16 O72 -","8","1","","Li, Ni-Ya; Ge, Yu; Wang, Tao; Wang, Shu-Jun; Ji, Xue-Ying; Liu, Dong","Construction of a series of coordination polymers based on 1,4-naphthalenedicarboxylic and flexible dipyridyl ligands","CrystEngComm","2014","16","11","2168","","10.1039/c3ce42148a","","","0.71073","MoKα","","0.0363","0.0308","","","0.0762","0.0799","","","","","","1.042","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213968","14.07","0.003","22.001","0.004","20.966","0.004","90","","101.07","0.03","90","","6369","2","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H56 Cd3 N8 O20 S3 -","- C48 H56 Cd3 N8 O20 S3 -","- C192 H224 Cd12 N32 O80 S12 -","4","1","","Li, Duan-Xiu; Ni, Chun-Yan; Chen, Min-Min; Dai, Ming; Zhang, Wen-Hua; Yan, Wen-Yan; Qi, Hai-Xiao; Ren, Zhi-Gang; Lang, Jian-Ping","Construction of Cd(ii) coordination polymers used as catalysts for the photodegradation of organic dyes in polluted water","CrystEngComm","2014","16","11","2158","","10.1039/c3ce42360c","","","0.71073","MoKα","","0.0558","0.0486","","","0.1161","0.1202","","","","","","1.108","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213969","15.6677","0.0005","15.6677","0.0005","15.6677","0.0005","90","","90","","90","","3846.1","0.2","153","2","153","2","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C18 H15 Cd N4 O6 -","- C18 H15 Cd N4 O6 -","- C144 H120 Cd8 N32 O48 -","8","0.166667","","Li, Duan-Xiu; Ni, Chun-Yan; Chen, Min-Min; Dai, Ming; Zhang, Wen-Hua; Yan, Wen-Yan; Qi, Hai-Xiao; Ren, Zhi-Gang; Lang, Jian-Ping","Construction of Cd(ii) coordination polymers used as catalysts for the photodegradation of organic dyes in polluted water","CrystEngComm","2014","16","11","2158","","10.1039/c3ce42360c","","","0.71073","MoKα","","0.0702","0.0586","","","0.1264","0.1321","","","","","","1.094","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213970","17.9901","0.0015","13.5567","0.0012","15.6762","0.0016","90","","91.684","0.009","90","","3821.6","0.6","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H46 Cd2 N4 O19 S2 -","- C26 H46 Cd2 N4 O19 S2 -","- C104 H184 Cd8 N16 O76 S8 -","4","1","","Li, Duan-Xiu; Ni, Chun-Yan; Chen, Min-Min; Dai, Ming; Zhang, Wen-Hua; Yan, Wen-Yan; Qi, Hai-Xiao; Ren, Zhi-Gang; Lang, Jian-Ping","Construction of Cd(ii) coordination polymers used as catalysts for the photodegradation of organic dyes in polluted water","CrystEngComm","2014","16","11","2158","","10.1039/c3ce42360c","","","0.71073","MoKα","","0.1405","0.0993","","","0.2354","0.261","","","","","","0.997","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213971","25.3104","0.0009","13.9294","0.0005","19.6913","0.0007","90","","128.818","0.001","90","","5409.1","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 Cd N6 O8 -","- C24 H24 Cd N6 O8 -","- C192 H192 Cd8 N48 O64 -","8","1","","Li, Duan-Xiu; Ni, Chun-Yan; Chen, Min-Min; Dai, Ming; Zhang, Wen-Hua; Yan, Wen-Yan; Qi, Hai-Xiao; Ren, Zhi-Gang; Lang, Jian-Ping","Construction of Cd(ii) coordination polymers used as catalysts for the photodegradation of organic dyes in polluted water","CrystEngComm","2014","16","11","2158","","10.1039/c3ce42360c","","","0.71073","MoKα","","0.0406","0.032","","","0.0714","0.075","","","","","","1.059","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213972","11.4349","0.0006","15.545","0.0006","12.8179","0.0006","90","","113.755","0.006","90","","2085.41","0.19","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","BenzothiopheneDTE","1,2-Bis(2-methyl benzothiophen-3-yl) perfluorocyclopentene","","- C23 H14 F6 S2 -","- C23 H14 F6 S2 -","- C92 H56 F24 S8 -","4","1","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.71073","MoKα","","0.0797","0.0571","","","0.1517","0.1693","","","","","","1.054","","","","has coordinates","211415","2020-10-21","18:00:00",""
"7213973","11.262","0.006","14.9356","0.0012","12.497","0.004","90","","113.73","0.06","90","","1924.3","1.5","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","BenzothiopheneDTE","1,2-Bis(2-methyl benzothiophen-3-yl) perfluorocyclopentene","","- C23 H14 F6 S2 -","- C23 H14 F6 S2 -","- C92 H56 F24 S8 -","4","1","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.1415","0.0989","","","0.2333","0.2625","","","","","","1.555","","","","has coordinates","211415","2020-10-21","18:00:00",""
"7213974","11.096","0.002","14.494","0.003","12.262","0.003","90","","113.85","0.03","90","","1803.6","0.8","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","BenzothiopheneDTE","1,2-Bis(2-methyl benzothiophen-3-yl) perfluorocyclopentene","","- C23 H14 F6 S2 -","- C23 H14 F6 S2 -","- C92 H56 F24 S8 -","4","1","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.1037","0.0775","","","0.1535","0.1713","","","","","","1.536","","","","has coordinates","211415","2020-10-21","18:00:00",""
"7213975","11.053","0.002","14.338","0.003","12.136","0.002","90","","113.76","0.03","90","","1760.3","0.7","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","BenzothiopheneDTE","1,2-Bis(2-methyl benzothiophen-3-yl) perfluorocyclopentene","","- C23 H14 F6 S2 -","- C23 H14 F6 S2 -","- C92 H56 F24 S8 -","4","1","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.1241","0.077","","","0.1592","0.1864","","","","","","1.49","","","","has coordinates","211415","2020-10-21","18:00:00",""
"7213976","10.991","0.006","14.1391","0.0008","12.033","0.004","90","","113.83","0.05","90","","1710.5","1.3","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","BenzothiopheneDTE","1,2-Bis(2-methyl benzothiophen-3-yl) perfluorocyclopentene","","- C23 H14 F6 S2 -","- C23 H14 F6 S2 -","- C92 H56 F24 S8 -","4","1","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.0974","0.0758","","","0.1681","","","","","","","1.422","","","","has coordinates","211415","2020-10-21","18:00:00",""
"7213977","10.954","0.002","14.032","0.003","11.962","0.002","90","","113.77","0.03","90","","1682.7","0.7","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","BenzothiopheneDTE","1,2-Bis(2-methyl benzothiophen-3-yl) perfluorocyclopentene","","- C23 H14 F6 S2 -","- C23 H14 F6 S2 -","- C92 H56 F24 S8 -","4","1","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.0753","0.0674","","","0.163","0.1687","","","","","","1.488","","","","has coordinates","211415","2020-10-21","18:00:00",""
"7213978","10.93","0.002","13.961","0.003","11.922","0.002","90","","113.76","0.03","90","","1665","0.7","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","BenzothiopheneDTE","1,2-Bis(2-methyl benzothiophen-3-yl) perfluorocyclopentene","","- C23 H14 F6 S2 -","- C23 H14 F6 S2 -","- C92 H56 F24 S8 -","4","1","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.0797","0.0687","","","0.1658","0.173","","","","","","1.434","","","","has coordinates","211415","2020-10-21","18:00:00",""
"7213979","10.135","0.009","15.0384","0.0016","10.9","0.007","90","","107.52","0.09","90","","1584.2","1.9","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","BenzothiopheneDTE","1,2-Bis(2-methyl benzothiophen-3-yl) perfluorocyclopentene","","- C23 H14 F6 S2 -","- C23 H14 F6 S2 -","- C92 H56 F24 S8 -","4","1","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.0794","0.0561","","","0.1083","0.1193","","","","","","1.411","","","","has coordinates","211415","2020-10-21","18:00:00",""
"7213980","10.118","0.018","15.012","0.003","10.877","0.011","90","","107.53","0.16","90","","1575","4","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","BenzothiopheneDTE","1,2-Bis(2-methyl benzothiophen-3-yl) perfluorocyclopentene","","- C23 H14 F6 S2 -","- C23 H14 F6 S2 -","- C92 H56 F24 S8 -","4","1","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.0724","0.0545","","","0.1129","0.1223","","","","","","1.456","","","","has coordinates","211415","2020-10-21","18:00:00",""
"7213981","10.117","0.018","15.004","0.003","10.869","0.011","90","","107.52","0.16","90","","1573","4","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","BenzothiopheneDTE","1,2-Bis(2-methyl benzothiophen-3-yl) perfluorocyclopentene","","- C23 H14 F6 S2 -","- C23 H14 F6 S2 -","- C92 H56 F24 S8 -","4","1","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.071","0.0548","","","0.1277","0.1354","","","","","","1.53","","","","has coordinates","211415","2020-10-21","18:00:00",""
"7213982","10.052","0.002","14.932","0.003","10.789","0.002","90","","107.39","0.03","90","","1545.4","0.6","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","BenzothiopheneDTE","1,2-Bis(2-methyl benzothiophen-3-yl) perfluorocyclopentene","","- C23 H14 F6 S2 -","- C23 H14 F6 S2 -","- C92 H56 F24 S8 -","4","1","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.071","0.0504","","","0.1042","0.117","","","","","","1.261","","","","has coordinates","211415","2020-10-21","18:00:00",""
"7213983","9.985","0.002","14.855","0.003","10.722","0.002","90","","107.35","0.03","90","","1518","0.6","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","BenzothiopheneDTE","1,2-Bis(2-methyl benzothiophen-3-yl) perfluorocyclopentene","","- C23 H14 F6 S2 -","- C23 H14 F6 S2 -","- C92 H56 F24 S8 -","4","1","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.1027","0.078","","","0.1827","0.208","","","","","","1.131","","","","has coordinates","211415","2020-10-21","18:00:00",""
"7213984","9.894","0.002","14.736","0.003","10.588","0.002","90","","107.21","0.03","90","","1474.6","0.6","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","BenzothiopheneDTE","1,2-Bis(2-methyl benzothiophen-3-yl) perfluorocyclopentene","","- C23 H14 F6 S2 -","- C23 H14 F6 S2 -","- C92 H56 F24 S8 -","4","1","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.0557","0.0436","","","0.0962","0.1031","","","","","","1.29","","","","has coordinates","211415","2020-10-21","18:00:00",""
"7213985","20.5687","0.001","8.8331","0.0002","11.4381","0.0005","90","","122.177","0.006","90","","1758.95","0.17","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","DimethylthiopheneDTE","1,2-Bis(2,5-dimethylthiophen-3-yl) perfluorocyclopentene","","- C17 H14 F6 S2 -","- C17 H14 F6 S2 -","- C68 H56 F24 S8 -","4","0.5","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.71073","MoKα","","0.0577","0.041","","","0.1143","0.1293","","","","","","0.963","","","","has coordinates,has disorder","211415","2020-10-21","18:00:00",""
"7213986","19.69","0.06","8.8311","0.0018","11.46","0.003","90","","116.72","0.05","90","","1780","6","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","DimethylthiopheneDTE","1,2-Bis(2,5-dimethylthiophen-3-yl) perfluorocyclopentene","","- C17 H14 F6 S2 -","- C17 H14 F6 S2 -","- C68 H56 F24 S8 -","4","0.5","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.1296","0.0895","","","0.216","0.2454","","","","","","1.096","","","","has coordinates,has disorder","211415","2020-10-21","18:00:00",""
"7213987","19.672","0.029","8.6717","0.0008","11.0787","0.0009","90","","120.594","0.013","90","","1627","2","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","DimethylthiopheneDTE","1,2-Bis(2,5-dimethylthiophen-3-yl) perfluorocyclopentene","","- C17 H14 F6 S2 -","- C17 H14 F6 S2 -","- C68 H56 F24 S8 -","4","0.5","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.0963","0.0766","","","0.1825","0.1996","","","","","","1.104","","","","has coordinates,has disorder","211415","2020-10-21","18:00:00",""
"7213988","19.3247","0.0061","8.6243","0.0006","10.9544","0.0007","90","","120.113","0.014","90","","1579.3","0.6","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","DimethylthiopheneDTE","1,2-Bis(2,5-dimethylthiophen-3-yl) perfluorocyclopentene","","- C17 H14 F6 S2 -","- C17 H14 F6 S2 -","- C68 H56 F24 S8 -","4","0.5","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.0883","0.0728","","","0.1772","0.1906","","","","","","1.043","","","","has coordinates,has disorder","211415","2020-10-21","18:00:00",""
"7213989","18.4265","0.0046","8.4721","0.0006","10.633","0.0007","90","","118.512","0.015","90","","1458.6","0.4","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","DimethylthiopheneDTE","1,2-Bis(2,5-dimethylthiophen-3-yl) perfluorocyclopentene","","- C17 H14 F6 S2 -","- C17 H14 F6 S2 -","- C68 H56 F24 S8 -","4","0.5","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.0832","0.0713","","","0.1441","0.1505","","","","","","1.053","","","","has coordinates,has disorder","211415","2020-10-21","18:00:00",""
"7213990","18.0508","0.0011","8.3848","0.0008","10.551","0.023","90","","118.132","0.023","90","","1408","3","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","DimethylthiopheneDTE","1,2-Bis(2,5-dimethylthiophen-3-yl) perfluorocyclopentene","","- C17 H14 F6 S2 -","- C17 H14 F6 S2 -","- C68 H56 F24 S8 -","4","0.5","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.1193","0.0982","","","0.2321","0.2507","","","","","","1.089","","","","has coordinates,has disorder","211415","2020-10-21","18:00:00",""
"7213991","17.874","0.008","8.336","0.0007","10.524","0.013","90","","117.9","0.2","90","","1386","3","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","DimethylthiopheneDTE","1,2-Bis(2,5-dimethylthiophen-3-yl) perfluorocyclopentene","","- C17 H14 F6 S2 -","- C17 H14 F6 S2 -","- C68 H56 F24 S8 -","4","0.5","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.1031","0.0934","","","0.1927","0.1994","","","","","","1.081","","","","has coordinates,has disorder","211415","2020-10-21","18:00:00",""
"7213992","10.506","0.002","16.364","0.003","15.514","0.003","90","","98.95","0.03","90","","2634.7","0.9","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DimethylthiopheneDTE","1,2-Bis(2,5-dimethylthiophen-3-yl) perfluorocyclopentene","","- C17 H14 F6 S2 -","- C17 H14 F6 S2 -","- C136 H112 F48 S16 -","8","2","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.0922","0.0712","","","0.1779","0.2025","","","","","","1.055","","","","has coordinates","211415","2020-10-21","18:00:00",""
"7213993","10.4886","0.001","16.3135","0.0016","15.5602","0.0096","90","","99.0816","0.0016","90","","2629.1","1.7","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DimethylthiopheneDTE","1,2-Bis(2,5-dimethylthiophen-3-yl) perfluorocyclopentene","","- C17 H14 F6 S2 -","- C17 H14 F6 S2 -","- C136 H112 F48 S16 -","8","2","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.085","0.0689","","","0.1714","0.1851","","","","","","1.051","","","","has coordinates","211415","2020-10-21","18:00:00",""
"7213994","10.4663","0.0008","16.259","0.0012","15.427","0.0072","90","","99.409","0.012","90","","2589.9","1.2","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DimethylthiopheneDTE","1,2-Bis(2,5-dimethylthiophen-3-yl) perfluorocyclopentene","","- C17 H14 F6 S2 -","- C17 H14 F6 S2 -","- C136 H112 F48 S16 -","8","2","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.0718","0.0615","","","0.165","0.1752","","","","","","1.068","","","","has coordinates","211415","2020-10-21","18:00:00",""
"7213995","10.4211","0.0007","16.1206","0.0012","15.169","0.0068","90","","99.83","0.011","90","","2510.9","1.2","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DimethylthiopheneDTE","1,2-Bis(2,5-dimethylthiophen-3-yl) perfluorocyclopentene","","- C17 H14 F6 S2 -","- C17 H14 F6 S2 -","- C136 H112 F48 S16 -","8","2","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.0795","0.0613","","","0.1546","0.1699","","","","","","1.065","","","","has coordinates","211415","2020-10-21","18:00:00",""
"7213996","10.377","0.002","16.06","0.003","15.031","0.003","90","","100.45","0.03","90","","2463.4","0.9","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DimethylthiopheneDTE","1,2-Bis(2,5-dimethylthiophen-3-yl) perfluorocyclopentene","","- C17 H14 F6 S2 -","- C17 H14 F6 S2 -","- C136 H112 F48 S16 -","8","2","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.1158","0.0824","","","0.1875","0.2172","","","","","","1.437","","","","has coordinates","211415","2020-10-21","18:00:00",""
"7213997","10.3834","0.0005","16.0279","0.0008","15.0219","0.0045","90","","100.443","0.007","90","","2458.6","0.8","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DimethylthiopheneDTE","1,2-Bis(2,5-dimethylthiophen-3-yl) perfluorocyclopentene","","- C17 H14 F6 S2 -","- C17 H14 F6 S2 -","- C136 H112 F48 S16 -","8","2","","Woodall, Christopher H.; Brayshaw, Simon K.; Schiffers, Stefanie; Allan, David R.; Parsons, Simon; Valiente, Rafael; Raithby, Paul R.","High-pressure crystallographic and spectroscopic studies on two molecular dithienylethene switches","CrystEngComm","2014","16","11","2119","","10.1039/c3ce41933a","","","0.6889","synchrotron","","0.0718","0.0525","","","0.1281","0.1458","","","","","","1.017","","","","has coordinates","211415","2020-10-21","18:00:00",""
"7213998","48.2903","0.0015","13.6014","0.0003","22.1554","0.0005","90","","100.647","0.003","90","","14301.5","0.6","293","2","293","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C20 H145 Cu N20 Na2 O148 P4 Tb W34 -","- C12 H52 Cu N12 Na2 O136 P4 Tb W34 -","- C48 H208 Cu4 N48 Na8 O544 P16 Tb4 W136 -","4","0.5","","Zhao, Hai-Yan; Zhao, Jun-Wei; Yang, Bai-Feng; He, Huan; Yang, Guo-Yu","A series of organic‒inorganic hybrids based on lanthanide-substituted Dawson-type phosphotungstate dimers and copper‒en linkers","CrystEngComm","2014","16","11","2230","","10.1039/c3ce42029a","","","0.71073","MoKα","","0.0581","0.047","","","0.119","0.1234","","","","","","1.043","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7213999","48.3988","0.0017","13.6295","0.0004","22.1644","0.0006","90","","100.66","0.003","90","","14368.5","0.8","293","2","293","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C20 H149 Cu Eu N20 Na2 O150 P4 W34 -","- C12 H56 Cu Eu N12 Na2 O144 P4 W34 -","- C48 H224 Cu4 Eu4 N48 Na8 O576 P16 W136 -","4","0.5","","Zhao, Hai-Yan; Zhao, Jun-Wei; Yang, Bai-Feng; He, Huan; Yang, Guo-Yu","A series of organic‒inorganic hybrids based on lanthanide-substituted Dawson-type phosphotungstate dimers and copper‒en linkers","CrystEngComm","2014","16","11","2230","","10.1039/c3ce42029a","","","0.71073","MoKα","","0.0545","0.0367","","","0.0795","0.0848","","","","","","1.075","","","","has coordinates","180470","2020-10-21","18:00:00",""
"7214000","48.4356","0.0012","13.5979","0.0003","22.1157","0.0005","90","","100.54","0.002","90","","14320.1","0.6","293","2","293","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C24 H157 Cu N24 Na2 O146 P4 Sm W34 -","- C12 H56 Cu N12 Na2 O146 P4 Sm W34 -","- C48 H224 Cu4 N48 Na8 O584 P16 Sm4 W136 -","4","0.5","","Zhao, Hai-Yan; Zhao, Jun-Wei; Yang, Bai-Feng; He, Huan; Yang, Guo-Yu","A series of organic‒inorganic hybrids based on lanthanide-substituted Dawson-type phosphotungstate dimers and copper‒en linkers","CrystEngComm","2014","16","11","2230","","10.1039/c3ce42029a","","","0.71073","MoKα","","0.0601","0.0424","","","0.1034","0.1127","","","","","","1.056","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214001","48.5506","0.0011","13.6364","0.0005","22.1072","0.0005","90","","100.436","0.002","90","","14394.1","0.7","293","2","293","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C18 H127 Ce Cu N18 Na2 O143 P4 W34 -","- C12 H52 Ce Cu N12 Na2 O142 P4 W34 -","- C48 H208 Ce4 Cu4 N48 Na8 O568 P16 W136 -","4","0.5","","Zhao, Hai-Yan; Zhao, Jun-Wei; Yang, Bai-Feng; He, Huan; Yang, Guo-Yu","A series of organic‒inorganic hybrids based on lanthanide-substituted Dawson-type phosphotungstate dimers and copper‒en linkers","CrystEngComm","2014","16","11","2230","","10.1039/c3ce42029a","","","0.71073","MoKα","","0.0934","0.0746","","","0.182","0.1974","","","","","","1.012","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214002","9.1367","0.0002","9.1367","0.0002","25.9692","0.001","90","","90","","120","","1877.45","0.09","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C0 H2 In N0 O6 P2 -","- H2 In O6 P2 -","- H18 In9 O54 P18 -","9","0.5","","Wang, Xuelei; Yan, Yan; Wu, Junbiao; Zhang, Chuanqi; Li, Jiyang","Solvothermal syntheses and structures of four indium‒phosphite coordination polymers","CrystEngComm","2014","16","11","2266","","10.1039/c3ce42059k","","","0.71073","MoKα","","0.0176","0.0159","","","0.0385","0.0388","","","","","","1.006","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214003","5.4121","0.001","10.234","0.0018","10.5108","0.0019","113.234","0.002","95.522","0.003","92.534","0.002","530.32","0.17","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C3 H14 F In N2 O6 P2 -","- C3 H14 F In N2 O6 P2 -","- C6 H28 F2 In2 N4 O12 P4 -","2","1","","Wang, Xuelei; Yan, Yan; Wu, Junbiao; Zhang, Chuanqi; Li, Jiyang","Solvothermal syntheses and structures of four indium‒phosphite coordination polymers","CrystEngComm","2014","16","11","2266","","10.1039/c3ce42059k","","","0.71073","MoKα","","0.0285","0.0247","","","0.0562","0.0592","","","","","","1.087","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214004","8.2519","0.0003","8.2519","0.0003","7.6934","0.0004","90","","90","","120","","453.69","0.03","293","2","293","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- H3 In2 O9 P3 -","- H3 In2 O9 P3 -","- H6 In4 O18 P6 -","2","0.166667","","Wang, Xuelei; Yan, Yan; Wu, Junbiao; Zhang, Chuanqi; Li, Jiyang","Solvothermal syntheses and structures of four indium‒phosphite coordination polymers","CrystEngComm","2014","16","11","2266","","10.1039/c3ce42059k","","","0.71073","MoKα","","0.018","0.0175","","","0.0433","0.0437","","","","","","1.233","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214005","13.8148","0.0018","13.8148","0.0018","18.612","0.005","90","","90","","120","","3076.2","1","296","2","296","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C0 H7 In4 N0 O24 P7 -","- H7 In4 O24 P7 -","- H28 In16 O96 P28 -","4","0.333333","","Wang, Xuelei; Yan, Yan; Wu, Junbiao; Zhang, Chuanqi; Li, Jiyang","Solvothermal syntheses and structures of four indium‒phosphite coordination polymers","CrystEngComm","2014","16","11","2266","","10.1039/c3ce42059k","","","0.71073","MoKα","","0.0555","0.0434","","","0.1198","0.1247","","","","","","1.082","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214006","6.8098","0.0014","31.143","0.006","13.07","0.004","90","","120.24","0.02","90","","2394.7","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 La2 N O19 -","- C18 H18 La2 N O19 -","- C72 H72 La8 N4 O76 -","4","1","","Sun, Ya-guang; Li, Jian; Li, Ke-long; Xu, Zhen-he; Ding, Fu; Ren, Bao-yi; Wang, Shu-ju; You, Li-xin; Xiong, Gang; Smet, Philippe F.","A family of 3D lanthanide‒organic frameworks constructed from parallelogram secondary building units: synthesis, structures and properties","CrystEngComm","2014","16","9","1777","","10.1039/c3ce42197j","","","0.71073","MoKα","","0.1349","0.1078","","","0.2664","0.2906","","","","","","1.082","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214007","6.7147","0.0013","30.942","0.006","12.909","0.004","90","","120.14","0.02","90","","2319.4","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N O19 Pr2 -","- C18 H18 N O19 Pr2 -","- C72 H72 N4 O76 Pr8 -","4","1","","Sun, Ya-guang; Li, Jian; Li, Ke-long; Xu, Zhen-he; Ding, Fu; Ren, Bao-yi; Wang, Shu-ju; You, Li-xin; Xiong, Gang; Smet, Philippe F.","A family of 3D lanthanide‒organic frameworks constructed from parallelogram secondary building units: synthesis, structures and properties","CrystEngComm","2014","16","9","1777","","10.1039/c3ce42197j","","","0.71073","MoKα","","0.0465","0.0405","","","0.0909","0.0942","","","","","","1.105","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214008","6.7129","0.0013","30.855","0.006","12.888","0.004","90","","120.73","0.02","90","","2294.6","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N O19 Sm2 -","- C18 H18 N O19 Sm2 -","- C72 H72 N4 O76 Sm8 -","4","1","","Sun, Ya-guang; Li, Jian; Li, Ke-long; Xu, Zhen-he; Ding, Fu; Ren, Bao-yi; Wang, Shu-ju; You, Li-xin; Xiong, Gang; Smet, Philippe F.","A family of 3D lanthanide‒organic frameworks constructed from parallelogram secondary building units: synthesis, structures and properties","CrystEngComm","2014","16","9","1777","","10.1039/c3ce42197j","","","0.71073","MoKα","","0.0637","0.0588","","","0.1381","0.1404","","","","","","1.183","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214009","6.674","0.0013","30.729","0.006","12.805","0.004","90","0.03","120.67","0.02","90","0.03","2258.8","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Eu2 N O19 -","- C18 H18 Eu2 N O19 -","- C72 H72 Eu8 N4 O76 -","4","1","","Sun, Ya-guang; Li, Jian; Li, Ke-long; Xu, Zhen-he; Ding, Fu; Ren, Bao-yi; Wang, Shu-ju; You, Li-xin; Xiong, Gang; Smet, Philippe F.","A family of 3D lanthanide‒organic frameworks constructed from parallelogram secondary building units: synthesis, structures and properties","CrystEngComm","2014","16","9","1777","","10.1039/c3ce42197j","","","0.71073","MoKα","","0.0309","0.028","","","0.0659","0.0672","","","","","","1.121","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214010","6.675","0.0013","30.726","0.006","12.841","0.004","90","","120.81","0.02","90","","2262","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Gd2 N O19 -","- C18 H18 Gd2 N O19 -","- C72 H72 Gd8 N4 O76 -","4","1","","Sun, Ya-guang; Li, Jian; Li, Ke-long; Xu, Zhen-he; Ding, Fu; Ren, Bao-yi; Wang, Shu-ju; You, Li-xin; Xiong, Gang; Smet, Philippe F.","A family of 3D lanthanide‒organic frameworks constructed from parallelogram secondary building units: synthesis, structures and properties","CrystEngComm","2014","16","9","1777","","10.1039/c3ce42197j","","","0.71073","MoKα","","0.0648","0.0605","","","0.1432","0.145","","","","","","1.179","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214011","6.666","0.0013","30.662","0.006","12.798","0.004","90","","120.79","0.02","90","","2247.1","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N O19 Tb2 -","- C18 H18 N O19 Tb2 -","- C72 H72 N4 O76 Tb8 -","4","1","","Sun, Ya-guang; Li, Jian; Li, Ke-long; Xu, Zhen-he; Ding, Fu; Ren, Bao-yi; Wang, Shu-ju; You, Li-xin; Xiong, Gang; Smet, Philippe F.","A family of 3D lanthanide‒organic frameworks constructed from parallelogram secondary building units: synthesis, structures and properties","CrystEngComm","2014","16","9","1777","","10.1039/c3ce42197j","","","0.71073","MoKα","","0.0825","0.0565","","","0.1149","0.1277","","","","","","1.105","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214012","6.661","0.0013","30.58","0.006","12.763","0.003","90","","121","0.02","90","","2228.4","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Dy2 N O19 -","- C18 H18 Dy2 N O19 -","- C72 H72 Dy8 N4 O76 -","4","1","","Sun, Ya-guang; Li, Jian; Li, Ke-long; Xu, Zhen-he; Ding, Fu; Ren, Bao-yi; Wang, Shu-ju; You, Li-xin; Xiong, Gang; Smet, Philippe F.","A family of 3D lanthanide‒organic frameworks constructed from parallelogram secondary building units: synthesis, structures and properties","CrystEngComm","2014","16","9","1777","","10.1039/c3ce42197j","","","0.71073","MoKα","","0.0668","0.0522","","","0.13","0.1408","","","","","","1.1","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214013","18.615","0.002","6.0317","0.0007","29.072","0.004","90","","105.908","0.002","90","","3139.2","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 Cl N O2 -","- C18 H16 Cl N O2 -","- C144 H128 Cl8 N8 O16 -","8","1","","Tanaka, Yuki; Tabata, Hideyuki; Tajima, Nobuo; Kuroda, Reiko; Imai, Yoshitane","Control of crystal structures of fluorescent two-component supramolecular systems by varying substituents and their positions","CrystEngComm","2014","16","9","1741","","10.1039/c3ce42128g","","","0.71073","MoKα","","0.0796","0.0482","","","0.1049","0.1165","","","","","","1.017","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214014","10.5204","0.0007","8.7184","0.0006","33.531","0.002","90","","90","","90","","3075.5","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H16 Cl N O2 -","- C18 H16 Cl N O2 -","- C144 H128 Cl8 N8 O16 -","8","1","","Tanaka, Yuki; Tabata, Hideyuki; Tajima, Nobuo; Kuroda, Reiko; Imai, Yoshitane","Control of crystal structures of fluorescent two-component supramolecular systems by varying substituents and their positions","CrystEngComm","2014","16","9","1741","","10.1039/c3ce42128g","","","0.71073","MoKα","","0.0656","0.0509","","","0.1385","0.1495","","","","","","1.018","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214015","4.637","0.0018","11.658","0.004","15.392","0.005","67.925","0.012","82.161","0.015","85.996","0.018","763.7","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H16 Br N O2 -","- C18 H16 Br N O2 -","- C36 H32 Br2 N2 O4 -","2","1","","Tanaka, Yuki; Tabata, Hideyuki; Tajima, Nobuo; Kuroda, Reiko; Imai, Yoshitane","Control of crystal structures of fluorescent two-component supramolecular systems by varying substituents and their positions","CrystEngComm","2014","16","9","1741","","10.1039/c3ce42128g","","","0.71073","MoKα","","0.0757","0.0645","","","0.1611","0.1759","","","","","","1.12","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214016","10.6279","0.0009","8.7139","0.0007","33.989","0.003","90","","90","","90","","3147.7","0.5","93","2","93","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H16 Br N O2 -","- C18 H16 Br N O2 -","- C144 H128 Br8 N8 O16 -","8","1","","Tanaka, Yuki; Tabata, Hideyuki; Tajima, Nobuo; Kuroda, Reiko; Imai, Yoshitane","Control of crystal structures of fluorescent two-component supramolecular systems by varying substituents and their positions","CrystEngComm","2014","16","9","1741","","10.1039/c3ce42128g","","","0.71073","MoKα","","0.0913","0.0524","","","0.112","0.1274","","","","","","1.052","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214017","18.404","0.005","6.025","0.0015","28.832","0.008","90","","104.628","0.003","90","","3093.4","1.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C152 H152 N8 O16 -","8","1","","Tanaka, Yuki; Tabata, Hideyuki; Tajima, Nobuo; Kuroda, Reiko; Imai, Yoshitane","Control of crystal structures of fluorescent two-component supramolecular systems by varying substituents and their positions","CrystEngComm","2014","16","9","1741","","10.1039/c3ce42128g","","","0.71073","MoKα","","0.1177","0.0537","","","0.1202","0.1497","","","","","","0.944","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214018","15.604","0.004","6.263","0.0014","15.601","0.004","90","","90.68","0.003","90","","1524.5","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C76 H76 N4 O8 -","4","1","","Tanaka, Yuki; Tabata, Hideyuki; Tajima, Nobuo; Kuroda, Reiko; Imai, Yoshitane","Control of crystal structures of fluorescent two-component supramolecular systems by varying substituents and their positions","CrystEngComm","2014","16","9","1741","","10.1039/c3ce42128g","","","0.71073","MoKα","","0.0526","0.0433","","","0.1152","0.1234","","","","","","1.058","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214019","4.9227","0.0002","13.9837","0.0003","15.7876","0.0003","90","","90","","90","","1086.78","0.05","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H10 Li2 O10 -","- C8 H10 Li2 O10 -","- C32 H40 Li8 O40 -","4","1","","Thuéry, Pierre","Metal‒organic frameworks built from alkali metal ions (Li±-Cs+) and 1,2,3,4-cyclobutanetetracarboxylic acid","CrystEngComm","2014","16","9","1724","","10.1039/c3ce41565a","","","0.71073","MoKα","","0.0329","0.0308","","","0.0881","0.0895","","","","","","1.075","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214020","21.6635","0.0016","8.1817","0.0004","8.1299","0.0006","90","","98.514","0.004","90","","1425.1","0.16","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H16 Li4 O13 -","- C8 H16 Li4 O13 -","- C32 H64 Li16 O52 -","4","0.5","","Thuéry, Pierre","Metal‒organic frameworks built from alkali metal ions (Li±-Cs+) and 1,2,3,4-cyclobutanetetracarboxylic acid","CrystEngComm","2014","16","9","1724","","10.1039/c3ce41565a","","","0.71073","MoKα","","0.0391","0.0327","","","0.0919","0.095","","","","","","1.079","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214021","5.3722","0.0002","13.4257","0.0011","12.451","0.001","90","","91.272","0.005","90","","897.81","0.11","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H7 Na O8 -","- C8 H7 Na O8 -","- C32 H28 Na4 O32 -","4","1","","Thuéry, Pierre","Metal‒organic frameworks built from alkali metal ions (Li±-Cs+) and 1,2,3,4-cyclobutanetetracarboxylic acid","CrystEngComm","2014","16","9","1724","","10.1039/c3ce41565a","","","0.71073","MoKα","","0.0517","0.0369","","","0.0976","0.1032","","","","","","1.039","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214022","8.4001","0.0007","13.7383","0.0011","6.4302","0.0004","90","","104.284","0.005","90","","719.12","0.1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H14 K2 O12 -","- C8 H14 K2 O12 -","- C16 H28 K4 O24 -","2","0.5","","Thuéry, Pierre","Metal‒organic frameworks built from alkali metal ions (Li±-Cs+) and 1,2,3,4-cyclobutanetetracarboxylic acid","CrystEngComm","2014","16","9","1724","","10.1039/c3ce41565a","","","0.71073","MoKα","","0.0355","0.0283","","","0.07","0.0725","","","","","","1.065","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214023","8.6068","0.0002","5.5968","0.0002","10.716","0.0003","90","","92.205","0.002","90","","515.81","0.03","150","2","150","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C8 H7 K O8 -","- C8 H7 K O8 -","- C16 H14 K2 O16 -","2","0.5","","Thuéry, Pierre","Metal‒organic frameworks built from alkali metal ions (Li±-Cs+) and 1,2,3,4-cyclobutanetetracarboxylic acid","CrystEngComm","2014","16","9","1724","","10.1039/c3ce41565a","","","0.71073","MoKα","","0.0351","0.0329","","","0.0915","0.0923","","","","","","1.077","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214024","8.1309","0.0004","9.662","0.0005","12.7399","0.0005","90","","90","","90","","1000.86","0.08","150","2","150","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C8 H7 O8 Rb -","- C8 H7 O8 Rb -","- C32 H28 O32 Rb4 -","4","0.5","","Thuéry, Pierre","Metal‒organic frameworks built from alkali metal ions (Li±-Cs+) and 1,2,3,4-cyclobutanetetracarboxylic acid","CrystEngComm","2014","16","9","1724","","10.1039/c3ce41565a","","","0.71073","MoKα","","0.0277","0.0232","","","0.0654","0.0673","","","","","","1.072","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214025","9.8276","0.0003","9.8276","0.0003","10.2207","0.0005","90","","90","","90","","987.13","0.06","150","2","150","2","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- C8 H7 Cs O8 -","- C8 H4 Cs O8 -","- C32 H16 Cs4 O32 -","4","0.5","","Thuéry, Pierre","Metal‒organic frameworks built from alkali metal ions (Li±-Cs+) and 1,2,3,4-cyclobutanetetracarboxylic acid","CrystEngComm","2014","16","9","1724","","10.1039/c3ce41565a","","","0.71073","MoKα","","0.0261","0.0231","","","0.0605","0.0613","","","","","","1.155","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214026","6.2442","0.0005","13.1523","0.0012","8.5929","0.0005","90","","96.82","0.006","90","","700.7","0.09","120","2","120","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C2 H5 N3 O3 P S -","- C2 H5 N3 O3 P S -","- C8 H20 N12 O12 P4 S4 -","4","1","","Matulková, I.; Cihelka, J.; Pojarová, M.; Fejfarová, K.; Dušek, M.; Císařová, I.; Vaněk, P.; Kroupa, J.; Němec, P.; Tesařová, N.; Němec, I.","Molecular crystals of 2-amino-1,3,4-thiadiazole with inorganic oxyacids ‒ crystal engineering, phase transformations and NLO properties","CrystEngComm","2014","16","9","1763","","10.1039/c3ce42306a","","","1.5418","CuKα","","0.0834","0.0769","","0.0679","0.0662","0.0662","","","","","","1.1054","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214027","5.2","0.00007","10.2243","0.00015","13.06242","0.00017","90","","90","","90","","694.481","0.017","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","2-amino-1,3,4-thiadiazolium(1+) hydrogen sulphate","","","- C2 H5 N3 O4 S2 -","- C2 H5 N3 O4 S2 -","- C8 H20 N12 O16 S8 -","4","1","","Matulková, I.; Cihelka, J.; Pojarová, M.; Fejfarová, K.; Dušek, M.; Císařová, I.; Vaněk, P.; Kroupa, J.; Němec, P.; Tesařová, N.; Němec, I.","Molecular crystals of 2-amino-1,3,4-thiadiazole with inorganic oxyacids ‒ crystal engineering, phase transformations and NLO properties","CrystEngComm","2014","16","9","1763","","10.1039/c3ce42306a","","","1.54178","CuKα","","0.0202","0.0202","","","0.0503","0.0503","","","","","","0.879","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214028","4.4119","0.0001","21.9024","0.0005","7.519","0.0002","90","","94.531","0.002","90","","724.3","0.03","120","2","120","2","","","","","","","","6","C 1 c 1","C -2yc","9","2-amino-1,3,4-thiadiazolium(1+) dihydrogen phosphate","","","- C2 H6 N3 O4 P S -","- C2 H6 N3 O4 P S -","- C8 H24 N12 O16 P4 S4 -","4","1","","Matulková, I.; Cihelka, J.; Pojarová, M.; Fejfarová, K.; Dušek, M.; Císařová, I.; Vaněk, P.; Kroupa, J.; Němec, P.; Tesařová, N.; Němec, I.","Molecular crystals of 2-amino-1,3,4-thiadiazole with inorganic oxyacids ‒ crystal engineering, phase transformations and NLO properties","CrystEngComm","2014","16","9","1763","","10.1039/c3ce42306a","","","1.54178","CuKα","","0.0297","0.0296","","","0.0839","0.084","","","","","","1.082","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214029","6.6897","0.0002","8.3773","0.0002","10.9734","0.0003","90","","103.301","0.003","90","","598.47","0.03","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-amino-1,3,4-thiadiazolium(1+) nitrate","","","- C2 H4 N4 O3 S -","- C2 H4 N4 O3 S -","- C8 H16 N16 O12 S4 -","4","1","","Matulková, I.; Cihelka, J.; Pojarová, M.; Fejfarová, K.; Dušek, M.; Císařová, I.; Vaněk, P.; Kroupa, J.; Němec, P.; Tesařová, N.; Němec, I.","Molecular crystals of 2-amino-1,3,4-thiadiazole with inorganic oxyacids ‒ crystal engineering, phase transformations and NLO properties","CrystEngComm","2014","16","9","1763","","10.1039/c3ce42306a","","","1.54178","CuKα","","0.0435","0.0402","","","0.1077","0.1125","","","","","","1.099","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214030","5.5377","0.0001","13.9715","0.0002","7.6737","0.0001","90","","93.472","0.001","90","","592.624","0.016","120","2","120","2","","","","","","","","6","P 1 c 1","P -2yc","7","Bis(2-amino-1,3,4-thiadiazolium(1+) selenate monohydrate","","","- C4 H8 N6 O5 S2 Se -","- C4 H8 N6 O5 S2 Se -","- C8 H16 N12 O10 S4 Se2 -","2","1","","Matulková, I.; Cihelka, J.; Pojarová, M.; Fejfarová, K.; Dušek, M.; Císařová, I.; Vaněk, P.; Kroupa, J.; Němec, P.; Tesařová, N.; Němec, I.","Molecular crystals of 2-amino-1,3,4-thiadiazole with inorganic oxyacids ‒ crystal engineering, phase transformations and NLO properties","CrystEngComm","2014","16","9","1763","","10.1039/c3ce42306a","","","1.54178","CuKα","","0.035","0.035","","","0.0873","0.0873","","","","","","1.129","","","","has coordinates,has disorder","180471","2020-10-21","18:00:00",""
"7214031","4.9574","0.0001","8.7771","0.0002","14.2055","0.0003","90","","97.481","0.002","90","","612.84","0.02","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","2-amino-1,3,4-thiadiazolium(1+) chloride monohydrate","","","- C2 H6 Cl N3 O S -","- C2 H6 Cl N3 O S -","- C8 H24 Cl4 N12 O4 S4 -","4","1","","Matulková, I.; Cihelka, J.; Pojarová, M.; Fejfarová, K.; Dušek, M.; Císařová, I.; Vaněk, P.; Kroupa, J.; Němec, P.; Tesařová, N.; Němec, I.","Molecular crystals of 2-amino-1,3,4-thiadiazole with inorganic oxyacids ‒ crystal engineering, phase transformations and NLO properties","CrystEngComm","2014","16","9","1763","","10.1039/c3ce42306a","","","1.54178","CuKα","","0.0652","0.0642","","","0.1793","0.181","","","","","","1.127","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214032","4.9817","0.0001","20.0865","0.0003","11.0569","0.0002","90","","90.643","0.002","90","","1106.34","0.03","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","2-amino-1,3,4-tihiadiazole 2-amino-1,3,4-thiadiazolium(1+) perchlorate","","","- C4 H7 Cl N6 O4 S2 -","- C4 H7 Cl N6 O4 S2 -","- C16 H28 Cl4 N24 O16 S8 -","4","1","","Matulková, I.; Cihelka, J.; Pojarová, M.; Fejfarová, K.; Dušek, M.; Císařová, I.; Vaněk, P.; Kroupa, J.; Němec, P.; Tesařová, N.; Němec, I.","Molecular crystals of 2-amino-1,3,4-thiadiazole with inorganic oxyacids ‒ crystal engineering, phase transformations and NLO properties","CrystEngComm","2014","16","9","1763","","10.1039/c3ce42306a","","","1.54178","CuKα","","0.0301","0.0292","","","0.0784","0.0793","","","","","","1.038","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214033","5.0168","0.0003","18.6658","0.0011","7.4367","0.0005","90","","102.148","0.002","90","","680.8","0.07","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","2-amino-1,3,5-thiadiazolium(1+) perchlorate","","","- C3 H Cl N3 O4 S -","- C2 H4 Cl N3 O4 S -","- C8 H16 Cl4 N12 O16 S4 -","4","1","","Matulková, I.; Cihelka, J.; Pojarová, M.; Fejfarová, K.; Dušek, M.; Císařová, I.; Vaněk, P.; Kroupa, J.; Němec, P.; Tesařová, N.; Němec, I.","Molecular crystals of 2-amino-1,3,4-thiadiazole with inorganic oxyacids ‒ crystal engineering, phase transformations and NLO properties","CrystEngComm","2014","16","9","1763","","10.1039/c3ce42306a","","","0.71073","MoKα","","0.0235","0.0223","","","0.0646","0.0662","","","","","","0.597","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214034","46.552","0.013","15.749","0.004","22.925","0.006","90","","90","","90","","16807","8","223","2","223","2","","","","","","","","9","P c a 21","P 2c -2ac","29","","","","- C30 H66 Cl K La Mo12 N20 O78 P -","- C30 H30 Cl K La Mo12 N20 O68 P -","- C240 H240 Cl8 K8 La8 Mo96 N160 O544 P8 -","8","2","","Han, Bao-Xia; Wang, Chuan-Zeng; Chen, Kai; Xiao, Xin; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang","Coordination and supramolecular assemblies of K+/Ln3+ to perhydroxycucurbit[5]uril in the presence of [PMo12O40]3−: potential application in isolation of light lanthanides","CrystEngComm","2014","16","9","1615","","10.1039/c3ce42063a","","","0.71073","MoKα","","0.0602","0.049","","","0.114","0.1203","","","","","","1.037","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214035","46.525","0.007","15.707","0.002","22.889","0.003","90","","90","","90","","16727","4","223","2","223","2","","","","","","","","9","P c a 21","P 2c -2ac","29","","","","- C30 H66 Ce Cl K Mo12 N20 O78 P -","- C30 H30 Ce Cl K Mo12 N20 O68 P -","- C240 H240 Ce8 Cl8 K8 Mo96 N160 O544 P8 -","8","2","","Han, Bao-Xia; Wang, Chuan-Zeng; Chen, Kai; Xiao, Xin; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang","Coordination and supramolecular assemblies of K+/Ln3+ to perhydroxycucurbit[5]uril in the presence of [PMo12O40]3−: potential application in isolation of light lanthanides","CrystEngComm","2014","16","9","1615","","10.1039/c3ce42063a","","","0.71073","MoKα","","0.0582","0.0476","","","0.107","0.113","","","","","","1.036","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214036","46.551","0.005","15.6964","0.0017","22.913","0.003","90","","90","","90","","16742","3","223","2","223","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C30 H69 Cl Mo12 N20 O79 P Pr -","- C30 H30 Cl Mo12 N20 O65 P Pr -","- C240 H240 Cl8 Mo96 N160 O520 P8 Pr8 -","8","2","","Han, Bao-Xia; Wang, Chuan-Zeng; Chen, Kai; Xiao, Xin; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang","Coordination and supramolecular assemblies of K+/Ln3+ to perhydroxycucurbit[5]uril in the presence of [PMo12O40]3−: potential application in isolation of light lanthanides","CrystEngComm","2014","16","9","1615","","10.1039/c3ce42063a","","","0.71073","MoKα","","0.0835","0.0564","","","0.1245","0.1357","","","","","","1.015","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214037","22.648","0.004","15.759","0.003","23.177","0.004","90","","90","","90","","8272","3","223","2","223","2","","","","","","","","9","P n m a","-P 2ac 2n","62","","","","- C30 H62 Cl K Mo12 N20 Nd O76 P -","- C30 H30 Cl K Mo12 N20 Nd O64 P -","- C120 H120 Cl4 K4 Mo48 N80 Nd4 O256 P4 -","4","0.5","","Han, Bao-Xia; Wang, Chuan-Zeng; Chen, Kai; Xiao, Xin; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang","Coordination and supramolecular assemblies of K+/Ln3+ to perhydroxycucurbit[5]uril in the presence of [PMo12O40]3−: potential application in isolation of light lanthanides","CrystEngComm","2014","16","9","1615","","10.1039/c3ce42063a","","","0.71073","MoKα","","0.1094","0.0831","","","0.2169","0.2369","","","","","","1.091","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214038","22.655","0.013","15.874","0.009","23.21","0.013","90","","90","","90","","8347","8","223","2","223","2","","","","","","","","9","P n m a","-P 2ac 2n","62","","","","- C30 H58 Cl K Mo12 N20 O74 P Sm -","- C30 H30 Cl K Mo12 N20 O65 P Sm -","- C120 H120 Cl4 K4 Mo48 N80 O260 P4 Sm4 -","4","0.5","","Han, Bao-Xia; Wang, Chuan-Zeng; Chen, Kai; Xiao, Xin; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang","Coordination and supramolecular assemblies of K+/Ln3+ to perhydroxycucurbit[5]uril in the presence of [PMo12O40]3−: potential application in isolation of light lanthanides","CrystEngComm","2014","16","9","1615","","10.1039/c3ce42063a","","","0.71073","MoKα","","0.0913","0.0648","","","0.1748","0.1914","","","","","","1.118","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214039","22.524","0.004","15.876","0.003","23.193","0.004","90","","90","","90","","8294","3","223","2","223","2","","","","","","","","9","P n m a","-P 2ac 2n","62","","","","- C30 H58 Cl Eu K Mo12 N20 O74 P -","- C30 H30 Cl Eu K Mo12 N20 O65 P -","- C120 H120 Cl4 Eu4 K4 Mo48 N80 O260 P4 -","4","0.5","","Han, Bao-Xia; Wang, Chuan-Zeng; Chen, Kai; Xiao, Xin; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang","Coordination and supramolecular assemblies of K+/Ln3+ to perhydroxycucurbit[5]uril in the presence of [PMo12O40]3−: potential application in isolation of light lanthanides","CrystEngComm","2014","16","9","1615","","10.1039/c3ce42063a","","","0.71073","MoKα","","0.0932","0.0628","","","0.1618","0.1773","","","","","","1.086","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214040","22.485","0.003","15.879","0.002","23.163","0.003","90","","90","","90","","8270.1","1.9","223","2","223","2","","","","","","","","9","P n m a","-P 2ac 2n","62","","","","- C30 H58 Cl Gd K Mo12 N20 O74 P -","- C30 H30 Cl Gd K Mo12 N20 O65 P -","- C120 H120 Cl4 Gd4 K4 Mo48 N80 O260 P4 -","4","0.5","","Han, Bao-Xia; Wang, Chuan-Zeng; Chen, Kai; Xiao, Xin; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang","Coordination and supramolecular assemblies of K+/Ln3+ to perhydroxycucurbit[5]uril in the presence of [PMo12O40]3−: potential application in isolation of light lanthanides","CrystEngComm","2014","16","9","1615","","10.1039/c3ce42063a","","","0.71073","MoKα","","0.0834","0.0587","","","0.1553","0.1691","","","","","","1.109","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214041","16.5175","0.0013","14.4895","0.0012","33.998","0.003","90","","99.206","0.002","90","","8031.9","1.2","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H60 K2 Mo12 N21 O77 P -","- C30 H30 K2 Mo12 N21 O67 P -","- C120 H120 K8 Mo48 N84 O268 P4 -","4","0.5","","Han, Bao-Xia; Wang, Chuan-Zeng; Chen, Kai; Xiao, Xin; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang","Coordination and supramolecular assemblies of K+/Ln3+ to perhydroxycucurbit[5]uril in the presence of [PMo12O40]3−: potential application in isolation of light lanthanides","CrystEngComm","2014","16","9","1615","","10.1039/c3ce42063a","","","0.71073","MoKα","","0.095","0.0657","","","0.1736","0.195","","","","","","1.056","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214042","16.4852","0.0011","14.4496","0.0009","33.998","0.002","90","","99.185","0.002","90","","7994.6","0.9","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H62 K2 Mo12 N21 O78 P -","- C30 H30 K2 Mo12 N21 O68 P -","- C120 H120 K8 Mo48 N84 O272 P4 -","4","0.5","","Han, Bao-Xia; Wang, Chuan-Zeng; Chen, Kai; Xiao, Xin; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang","Coordination and supramolecular assemblies of K+/Ln3+ to perhydroxycucurbit[5]uril in the presence of [PMo12O40]3−: potential application in isolation of light lanthanides","CrystEngComm","2014","16","9","1615","","10.1039/c3ce42063a","","","0.71073","MoKα","","0.0719","0.0608","","","0.1457","0.1516","","","","","","1.051","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214043","16.488","0.0007","14.4729","0.0006","33.9442","0.0013","90","","99.196","0.002","90","","7996","0.6","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H62 K2 Mo12 N21 O78 P -","- C30 H30 K2 Mo12 N21 O69 P -","- C120 H120 K8 Mo48 N84 O276 P4 -","4","0.5","","Han, Bao-Xia; Wang, Chuan-Zeng; Chen, Kai; Xiao, Xin; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang","Coordination and supramolecular assemblies of K+/Ln3+ to perhydroxycucurbit[5]uril in the presence of [PMo12O40]3−: potential application in isolation of light lanthanides","CrystEngComm","2014","16","9","1615","","10.1039/c3ce42063a","","","0.71073","MoKα","","0.0756","0.0557","","","0.1388","0.1497","","","","","","1.065","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214044","16.536","0.002","14.4599","0.0018","33.916","0.004","90","","99.14","0.004","90","","8006.7","1.7","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H62 K2 Mo12 N21 O78 P -","- C30 H30 K2 Mo12 N21 O67 P -","- C120 H120 K8 Mo48 N84 O268 P4 -","4","0.5","","Han, Bao-Xia; Wang, Chuan-Zeng; Chen, Kai; Xiao, Xin; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang","Coordination and supramolecular assemblies of K+/Ln3+ to perhydroxycucurbit[5]uril in the presence of [PMo12O40]3−: potential application in isolation of light lanthanides","CrystEngComm","2014","16","9","1615","","10.1039/c3ce42063a","","","0.71073","MoKα","","0.0749","0.0531","","","0.1381","0.152","","","","","","1.093","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214045","16.5232","0.0015","14.4587","0.0012","33.985","0.003","90","","99.026","0.003","90","","8018.6","1.2","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H63 K2 Mo12 N20 O76 P -","- C30 H30 K2 Mo12 N20 O65 P -","- C120 H120 K8 Mo48 N80 O260 P4 -","4","0.5","","Han, Bao-Xia; Wang, Chuan-Zeng; Chen, Kai; Xiao, Xin; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang","Coordination and supramolecular assemblies of K+/Ln3+ to perhydroxycucurbit[5]uril in the presence of [PMo12O40]3−: potential application in isolation of light lanthanides","CrystEngComm","2014","16","9","1615","","10.1039/c3ce42063a","","","0.71073","MoKα","","0.1025","0.0688","","","0.193","0.2092","","","","","","1.077","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214046","16.622","0.002","14.5029","0.0019","33.98","0.005","90","","98.924","0.004","90","","8092.3","1.9","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H61 K2 Mo12 N20 O75 P -","- C30 H30 K2 Mo12 N20 O65 P -","- C120 H120 K8 Mo48 N80 O260 P4 -","4","0.5","","Han, Bao-Xia; Wang, Chuan-Zeng; Chen, Kai; Xiao, Xin; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang","Coordination and supramolecular assemblies of K+/Ln3+ to perhydroxycucurbit[5]uril in the presence of [PMo12O40]3−: potential application in isolation of light lanthanides","CrystEngComm","2014","16","9","1615","","10.1039/c3ce42063a","","","0.71073","MoKα","","0.0561","0.0489","","","0.1439","0.1482","","","","","","1.094","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214047","16.543","0.002","14.4575","0.0018","33.922","0.004","90","","99.052","0.004","90","","8012.1","1.7","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H61 K2 Mo12 N20 O75 P -","- C30 H30 K2 Mo12 N20 O67 P -","- C120 H120 K8 Mo48 N80 O268 P4 -","4","0.5","","Han, Bao-Xia; Wang, Chuan-Zeng; Chen, Kai; Xiao, Xin; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang","Coordination and supramolecular assemblies of K+/Ln3+ to perhydroxycucurbit[5]uril in the presence of [PMo12O40]3−: potential application in isolation of light lanthanides","CrystEngComm","2014","16","9","1615","","10.1039/c3ce42063a","","","0.71073","MoKα","","0.0842","0.0649","","","0.1967","0.219","","","","","","1.077","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214048","14.812","0.006","13.727","0.005","14.452","0.005","90","","112.457","0.006","90","","2715.6","1.8","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H20 Co F6 N2 O4 -","- C29 H20 Co F6 N2 O4 -","- C116 H80 Co4 F24 N8 O16 -","4","1","","Han, Li-Wei; Lü, Jian; Lin, Zu-Jin; Cao, Rong","Cobalt-cluster-based coordination polymers with size-matching mixed ligands","CrystEngComm","2014","16","9","1749","","10.1039/c3ce42110d","","","0.71073","MoKα","","0.0604","0.0481","","","0.0897","0.0958","","","","","","1.112","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214049","13.336","0.006","24.714","0.01","14.403","0.006","90","","112.42","0.007","90","","4388","3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C92 H58 Co3 F24 N4 O16 -","- C92 H58 Co3 F24 N4 O16 -","- C184 H116 Co6 F48 N8 O32 -","2","0.5","","Han, Li-Wei; Lü, Jian; Lin, Zu-Jin; Cao, Rong","Cobalt-cluster-based coordination polymers with size-matching mixed ligands","CrystEngComm","2014","16","9","1749","","10.1039/c3ce42110d","","","0.71073","MoKα","","0.0834","0.0644","","","0.1602","0.1745","","","","","","1.069","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214050","15.792","0.005","15.821","0.005","18.031","0.006","100.763","0.004","100.701","0.002","100.779","0.003","4233","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C108 H94 Co5 F24 N8 O22 -","- C92 H56 Co5 F24 N4 O18 -","- C92 H56 Co5 F24 N4 O18 -","1","0.5","","Han, Li-Wei; Lü, Jian; Lin, Zu-Jin; Cao, Rong","Cobalt-cluster-based coordination polymers with size-matching mixed ligands","CrystEngComm","2014","16","9","1749","","10.1039/c3ce42110d","","","0.71073","MoKα","","0.0902","0.0702","","","0.1948","0.2067","","","","","","0.93","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214051","9.5231","0.001","10.2095","0.0011","11.7475","0.0013","105.625","0.001","91.665","0.001","106.879","0.001","1045.4","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H22 N6 O6 Zn -","- C17 H22 N6 O6 Zn -","- C34 H44 N12 O12 Zn2 -","2","1","","Han, Min-Le; Chang, Xin-Hong; Feng, Xun; Ma, Lu-Fang; Wang, Li-Ya","Temperature and pH driven self-assembly of Zn(ii) coordination polymers: crystal structures, supramolecular isomerism, and photoluminescence","CrystEngComm","2014","16","9","1687","","10.1039/c3ce41968a","","","0.71073","MoKα","","0.0369","0.0302","","","0.0734","0.077","","","","","","1.062","","","","has coordinates,has disorder","180471","2020-10-21","18:00:00",""
"7214052","16.879","0.004","8.2185","0.0018","22.862","0.005","90","","92.936","0.002","90","","3167.3","1.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 N9 O8 Zn2 -","- C30 H30 N9 O8 Zn2 -","- C120 H120 N36 O32 Zn8 -","4","1","","Han, Min-Le; Chang, Xin-Hong; Feng, Xun; Ma, Lu-Fang; Wang, Li-Ya","Temperature and pH driven self-assembly of Zn(ii) coordination polymers: crystal structures, supramolecular isomerism, and photoluminescence","CrystEngComm","2014","16","9","1687","","10.1039/c3ce41968a","","","0.71073","MoKα","","0.0327","0.0254","","","0.0615","0.0648","","","","","","1.03","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214053","9.2209","0.0011","10.2628","0.0012","12.7492","0.0015","111.664","0.001","93.59","0.001","112.631","0.001","1005","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N6 O6 Zn -","- C16 H18 N6 O6 Zn -","- C32 H36 N12 O12 Zn2 -","2","1","","Han, Min-Le; Chang, Xin-Hong; Feng, Xun; Ma, Lu-Fang; Wang, Li-Ya","Temperature and pH driven self-assembly of Zn(ii) coordination polymers: crystal structures, supramolecular isomerism, and photoluminescence","CrystEngComm","2014","16","9","1687","","10.1039/c3ce41968a","","","0.71073","MoKα","","0.0526","0.0454","","","0.1462","0.1526","","","","","","1.113","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214054","17.257","0.004","10.829","0.003","17.134","0.004","90","","101.765","0.003","90","","3134.7","1.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H30 N6 O14 Zn2 -","- C25 H30 N6 O14 Zn2 -","- C100 H120 N24 O56 Zn8 -","4","0.5","","Han, Min-Le; Chang, Xin-Hong; Feng, Xun; Ma, Lu-Fang; Wang, Li-Ya","Temperature and pH driven self-assembly of Zn(ii) coordination polymers: crystal structures, supramolecular isomerism, and photoluminescence","CrystEngComm","2014","16","9","1687","","10.1039/c3ce41968a","","","0.71073","MoKα","","0.0507","0.036","","","0.0858","0.0946","","","","","","1.041","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214055","18.004","0.005","9.661","0.003","19.023","0.005","90","","112.238","0.003","90","","3062.7","1.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H30 N6 O14 Zn2 -","- C25 H30 N6 O14 Zn2 -","- C100 H120 N24 O56 Zn8 -","4","0.5","","Han, Min-Le; Chang, Xin-Hong; Feng, Xun; Ma, Lu-Fang; Wang, Li-Ya","Temperature and pH driven self-assembly of Zn(ii) coordination polymers: crystal structures, supramolecular isomerism, and photoluminescence","CrystEngComm","2014","16","9","1687","","10.1039/c3ce41968a","","","0.71073","MoKα","","0.0407","0.0305","","","0.0714","0.0774","","","","","","0.95","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214056","20.682","0.003","10.4091","0.0013","19.858","0.003","90","","118.104","0.003","90","","3771","0.9","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H15 Cd N7 O8 -","- C14 H15 Cd N7 O8 -","- C112 H120 Cd8 N56 O64 -","8","1","","Ding, Jian-Gang; Zhu, Xia; Cui, Yan-Feng; Liang, Na; Sun, Peng-Peng; Chen, Qian; Li, Bao-Long; Li, Hai-Yan","Structurally versatile cadmium coordination polymers based on bis(1,2,4-triazol)ethane and rigid aromatic multicarboxylates: syntheses, structures and properties","CrystEngComm","2014","16","9","1632","","10.1039/c3ce42189a","","","0.71075","MoKα","","0.0581","0.0411","","","0.0855","0.0936","","","","","","1.021","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214057","21.049","0.004","10.4209","0.0017","20.232","0.004","90","","120.052","0.004","90","","3841.3","1.2","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H15 Cd I N6 O6 -","- C14 H15 Cd I N6 O6 -","- C112 H120 Cd8 I8 N48 O48 -","8","1","","Ding, Jian-Gang; Zhu, Xia; Cui, Yan-Feng; Liang, Na; Sun, Peng-Peng; Chen, Qian; Li, Bao-Long; Li, Hai-Yan","Structurally versatile cadmium coordination polymers based on bis(1,2,4-triazol)ethane and rigid aromatic multicarboxylates: syntheses, structures and properties","CrystEngComm","2014","16","9","1632","","10.1039/c3ce42189a","","","0.71075","MoKα","","0.0847","0.0538","","","0.1443","0.1615","","","","","","1.066","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214058","7.6185","0.0004","9.5814","0.0014","10.5272","0.0016","85.45","0.02","69.833","0.014","70.509","0.013","679.44","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H12 Cd N3 O7 -","- C11 H12 Cd N3 O7 -","- C22 H24 Cd2 N6 O14 -","2","1","","Ding, Jian-Gang; Zhu, Xia; Cui, Yan-Feng; Liang, Na; Sun, Peng-Peng; Chen, Qian; Li, Bao-Long; Li, Hai-Yan","Structurally versatile cadmium coordination polymers based on bis(1,2,4-triazol)ethane and rigid aromatic multicarboxylates: syntheses, structures and properties","CrystEngComm","2014","16","9","1632","","10.1039/c3ce42189a","","","0.7107","MoKα","","0.0277","0.0247","","","0.0645","0.0665","","","","","","1.019","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214059","13.2282","0.0016","14.3543","0.0016","16.899","0.002","90","","100.845","0.003","90","","3151.5","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H32 Cd N12 O13 S -","- C20 H31 Cd N12 O13 S -","- C80 H124 Cd4 N48 O52 S4 -","4","1","","Ding, Jian-Gang; Zhu, Xia; Cui, Yan-Feng; Liang, Na; Sun, Peng-Peng; Chen, Qian; Li, Bao-Long; Li, Hai-Yan","Structurally versatile cadmium coordination polymers based on bis(1,2,4-triazol)ethane and rigid aromatic multicarboxylates: syntheses, structures and properties","CrystEngComm","2014","16","9","1632","","10.1039/c3ce42189a","","","0.7107","MoKα","","0.0468","0.0395","","","0.0935","0.0976","","","","","","1.075","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214060","9.5996","0.001","9.7638","0.0014","9.866","0.0017","88.15","0.017","77.431","0.015","64.293","0.01","811.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H14 Cd N3 O7 -","- C11 H10 Cd N3 O7 -","- C22 H20 Cd2 N6 O14 -","2","1","","Ding, Jian-Gang; Zhu, Xia; Cui, Yan-Feng; Liang, Na; Sun, Peng-Peng; Chen, Qian; Li, Bao-Long; Li, Hai-Yan","Structurally versatile cadmium coordination polymers based on bis(1,2,4-triazol)ethane and rigid aromatic multicarboxylates: syntheses, structures and properties","CrystEngComm","2014","16","9","1632","","10.1039/c3ce42189a","","","0.7107","MoKα","","0.0398","0.0372","","","0.1127","0.1151","","","","","","1.083","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214061","11.014","0.002","10.8512","0.0018","17.237","0.004","90","","106.171","0.005","90","","1978.6","0.7","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H44 Cd2 N12 O21 -","- C22 H36 Cd2 N12 O21 -","- C44 H72 Cd4 N24 O42 -","2","0.5","","Ding, Jian-Gang; Zhu, Xia; Cui, Yan-Feng; Liang, Na; Sun, Peng-Peng; Chen, Qian; Li, Bao-Long; Li, Hai-Yan","Structurally versatile cadmium coordination polymers based on bis(1,2,4-triazol)ethane and rigid aromatic multicarboxylates: syntheses, structures and properties","CrystEngComm","2014","16","9","1632","","10.1039/c3ce42189a","","","0.71075","MoKα","","0.0663","0.0511","","","0.1328","0.1434","","","","","","1.053","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214062","19.6725","0.0014","10.3235","0.0007","10.5318","0.0007","90","","90","","90","","2138.9","0.3","223","2","223","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C20 H16 Cd N6 O6 -","- C20 H16 Cd N6 O6 -","- C80 H64 Cd4 N24 O24 -","4","0.5","","Ding, Jian-Gang; Zhu, Xia; Cui, Yan-Feng; Liang, Na; Sun, Peng-Peng; Chen, Qian; Li, Bao-Long; Li, Hai-Yan","Structurally versatile cadmium coordination polymers based on bis(1,2,4-triazol)ethane and rigid aromatic multicarboxylates: syntheses, structures and properties","CrystEngComm","2014","16","9","1632","","10.1039/c3ce42189a","","","0.71075","MoKα","","0.0422","0.0358","","","0.0925","0.0969","","","","","","1.084","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214063","8.0884","0.0014","9.9983","0.0019","10.646","0.002","113.859","0.003","95.105","0.002","91.085","0.002","782.8","0.2","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H13 Cd N4 O9 -","- C11 H13 Cd N4 O9 -","- C22 H26 Cd2 N8 O18 -","2","1","","Ding, Jian-Gang; Zhu, Xia; Cui, Yan-Feng; Liang, Na; Sun, Peng-Peng; Chen, Qian; Li, Bao-Long; Li, Hai-Yan","Structurally versatile cadmium coordination polymers based on bis(1,2,4-triazol)ethane and rigid aromatic multicarboxylates: syntheses, structures and properties","CrystEngComm","2014","16","9","1632","","10.1039/c3ce42189a","","","0.71075","MoKα","","0.0241","0.0208","","","0.0435","0.044","","","","","","0.995","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214064","8.891","0.003","9.658","0.003","13.359","0.004","100.128","0.004","90.511","0.003","116.456","0.004","1006","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H30 Cd3 N12 O18 S2 -","- C28 H30 Cd3 N12 O18 S2 -","- C28 H30 Cd3 N12 O18 S2 -","1","0.5","","Ding, Jian-Gang; Zhu, Xia; Cui, Yan-Feng; Liang, Na; Sun, Peng-Peng; Chen, Qian; Li, Bao-Long; Li, Hai-Yan","Structurally versatile cadmium coordination polymers based on bis(1,2,4-triazol)ethane and rigid aromatic multicarboxylates: syntheses, structures and properties","CrystEngComm","2014","16","9","1632","","10.1039/c3ce42189a","","","0.7107","MoKα","","0.035","0.029","","","0.0672","0.0759","","","","","","1.031","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214065","4.3006","0.0012","12.286","0.004","21.406","0.006","90","","90","","90","","1131","0.6","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H10 F3 N O2 S -","- C10 H10 F3 N O2 S -","- C40 H40 F12 N4 O8 S4 -","4","1","","Clark, Ewan R.; Hayward, John J.; Leontowicz, Bryce J.; Eisler, Dana J.; Rawson, Jeremy M.","Syntheses of, and structural studies on, benzo-fused 1,2,4-thiadiazines","CrystEngComm","2014","16","9","1755","","10.1039/c3ce42205d","","","0.71073","MoKα","","0.0422","0.0371","","","0.0862","0.0892","","","","","","1.052","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7214066","9.359","0.003","19.512","0.006","18.547","0.006","90","","90","","90","","3386.9","1.9","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C17 H17 F3 N2 S -","- C17 H17 F3 N2 S -","- C136 H136 F24 N16 S8 -","8","1","","Clark, Ewan R.; Hayward, John J.; Leontowicz, Bryce J.; Eisler, Dana J.; Rawson, Jeremy M.","Syntheses of, and structural studies on, benzo-fused 1,2,4-thiadiazines","CrystEngComm","2014","16","9","1755","","10.1039/c3ce42205d","","","0.71073","MoKα","","0.074","0.0531","","","0.1321","0.1462","","","","","","1.033","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214067","6.9316","0.0002","15.6631","0.0005","10.342","0.0003","90","","100.871","0.0018","90","","1102.68","0.06","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 N2 S -","- C13 H10 N2 S -","- C52 H40 N8 S4 -","4","1","","Clark, Ewan R.; Hayward, John J.; Leontowicz, Bryce J.; Eisler, Dana J.; Rawson, Jeremy M.","Syntheses of, and structural studies on, benzo-fused 1,2,4-thiadiazines","CrystEngComm","2014","16","9","1755","","10.1039/c3ce42205d","","","0.71073","MoKα","","0.0509","0.0389","","","0.0995","0.1068","","","","","","1.052","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214068","6.2054","0.0002","11.0782","0.0004","15.7022","0.0004","79.262","0.0018","81.6799","0.0018","81.0105","0.001","1040.06","0.06","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H9 N3 S -","- C12 H9 N3 S -","- C48 H36 N12 S4 -","4","2","","Clark, Ewan R.; Hayward, John J.; Leontowicz, Bryce J.; Eisler, Dana J.; Rawson, Jeremy M.","Syntheses of, and structural studies on, benzo-fused 1,2,4-thiadiazines","CrystEngComm","2014","16","9","1755","","10.1039/c3ce42205d","","","0.71073","MoKα","","0.0439","0.0382","","","0.0991","0.1047","","","","","","1.041","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214069","4.8958","0.0002","13.2251","0.0006","15.7846","0.0008","90","","90","","90","","1022.01","0.08","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H9 N3 S -","- C12 H9 N3 S -","- C48 H36 N12 S4 -","4","1","","Clark, Ewan R.; Hayward, John J.; Leontowicz, Bryce J.; Eisler, Dana J.; Rawson, Jeremy M.","Syntheses of, and structural studies on, benzo-fused 1,2,4-thiadiazines","CrystEngComm","2014","16","9","1755","","10.1039/c3ce42205d","","","0.71073","MoKα","","0.0547","0.0451","","","0.1031","0.1102","","","","","","1.095","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214070","15.6603","0.0003","7.402","0.0001","18.6797","0.0003","90","","106.78","0.0009","90","","2073.11","0.06","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 N3 S -","- C12 H9 N3 S -","- C96 H72 N24 S8 -","8","2","","Clark, Ewan R.; Hayward, John J.; Leontowicz, Bryce J.; Eisler, Dana J.; Rawson, Jeremy M.","Syntheses of, and structural studies on, benzo-fused 1,2,4-thiadiazines","CrystEngComm","2014","16","9","1755","","10.1039/c3ce42205d","","","0.71073","MoKα","","0.0489","0.0376","","","0.0946","0.1023","","","","","","1.026","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214071","9.6844","0.0006","10.0511","0.0006","21.3621","0.0014","90","","90","","90","","2079.4","0.2","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H8 N2 S2 -","- C11 H8 N2 S2 -","- C88 H64 N16 S16 -","8","1","","Clark, Ewan R.; Hayward, John J.; Leontowicz, Bryce J.; Eisler, Dana J.; Rawson, Jeremy M.","Syntheses of, and structural studies on, benzo-fused 1,2,4-thiadiazines","CrystEngComm","2014","16","9","1755","","10.1039/c3ce42205d","","","0.71073","MoKα","","0.0438","0.042","","","0.1137","0.115","","","","","","1.128","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214072","7.4294","0.0003","12.5543","0.0006","12.7463","0.0005","90","","92.878","0.003","90","","1187.36","0.09","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 N3 O2 S -","- C13 H9 N3 O2 S -","- C52 H36 N12 O8 S4 -","4","1","","Clark, Ewan R.; Hayward, John J.; Leontowicz, Bryce J.; Eisler, Dana J.; Rawson, Jeremy M.","Syntheses of, and structural studies on, benzo-fused 1,2,4-thiadiazines","CrystEngComm","2014","16","9","1755","","10.1039/c3ce42205d","","","0.71073","MoKα","","0.0937","0.0611","","","0.1316","0.151","","","","","","1.102","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214073","13.173","0.003","7.018","0.0014","14.651","0.003","90","","108.59","0.03","90","","1283.8","0.5","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H8 N4 O4 S -","- C13 H8 N4 O4 S -","- C52 H32 N16 O16 S4 -","4","1","","Clark, Ewan R.; Hayward, John J.; Leontowicz, Bryce J.; Eisler, Dana J.; Rawson, Jeremy M.","Syntheses of, and structural studies on, benzo-fused 1,2,4-thiadiazines","CrystEngComm","2014","16","9","1755","","10.1039/c3ce42205d","","","0.71073","MoKα","","0.0446","0.0346","","","0.1027","0.1125","","","","","","1.023","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214074","24.399","0.005","5.254","0.0011","9.3849","0.0019","90","","95.68","0.03","90","","1197.2","0.4","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N2 O S -","- C14 H12 N2 O S -","- C56 H48 N8 O4 S4 -","4","1","","Clark, Ewan R.; Hayward, John J.; Leontowicz, Bryce J.; Eisler, Dana J.; Rawson, Jeremy M.","Syntheses of, and structural studies on, benzo-fused 1,2,4-thiadiazines","CrystEngComm","2014","16","9","1755","","10.1039/c3ce42205d","","","0.71073","MoKα","","0.0941","0.0557","","","0.1344","0.1544","","","","","","0.984","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214075","14.857","0.002","13.0971","0.0019","26.97","0.004","90","","90.959","0.004","90","","5247.2","1.3","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C14 H9 F3 N2 S -","- C14 H9 F3 N2 S -","- C224 H144 F48 N32 S16 -","16","4","","Clark, Ewan R.; Hayward, John J.; Leontowicz, Bryce J.; Eisler, Dana J.; Rawson, Jeremy M.","Syntheses of, and structural studies on, benzo-fused 1,2,4-thiadiazines","CrystEngComm","2014","16","9","1755","","10.1039/c3ce42205d","","","0.71073","MoKα","","0.1131","0.1056","","","0.3009","0.3112","","","","","","1.098","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214076","6.3326","0.0003","13.4313","0.0008","14.9364","0.0008","72.429","0.002","79.14","0.002","89.112","0.002","1188.29","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H23 F2 N5 O2 S -","- C26 H23 F2 N5 O2 S -","- C52 H46 F4 N10 O4 S2 -","2","1","","Shukla, Rahul; Mohan, T. P.; Vishalakshi, B.; Chopra, Deepak","Experimental and theoretical analysis of lp⋯π intermolecular interactions in derivatives of 1,2,4-triazoles","CrystEngComm","2014","16","9","1702","","10.1039/c3ce42286k","","","0.71073","MoKα","","0.0748","0.0636","","","0.1325","0.1383","","","","","","1.149","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214077","6.203","0.0005","13.8341","0.0012","15.109","0.0014","71.303","0.004","80.718","0.004","88.344","0.004","1211.68","0.19","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H23 Cl F N5 O2 S -","- C26 H23 Cl F N5 O2 S -","- C52 H46 Cl2 F2 N10 O4 S2 -","2","1","","Shukla, Rahul; Mohan, T. P.; Vishalakshi, B.; Chopra, Deepak","Experimental and theoretical analysis of lp⋯π intermolecular interactions in derivatives of 1,2,4-triazoles","CrystEngComm","2014","16","9","1702","","10.1039/c3ce42286k","","","0.71073","MoKα","","0.0369","0.0347","","","0.0936","0.0958","","","","","","1.048","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214078","6.5674","0.0008","13.5041","0.0017","16.236","0.002","71.902","0.006","86.12","0.006","89.592","0.006","1365.4","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C29.5 H27 Cl F N5 O2 S -","- C29.5 H27 Cl F N5 O2 S -","- C59 H54 Cl2 F2 N10 O4 S2 -","2","1","","Shukla, Rahul; Mohan, T. P.; Vishalakshi, B.; Chopra, Deepak","Experimental and theoretical analysis of lp⋯π intermolecular interactions in derivatives of 1,2,4-triazoles","CrystEngComm","2014","16","9","1702","","10.1039/c3ce42286k","","","0.71073","MoKα","","0.0462","0.0427","","","0.1108","0.1135","","","","","","1.046","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7214079","13.2318","0.0004","24.2575","0.0008","14.1063","0.0005","90","","112.851","0.004","90","","4172.4","0.3","123.01","0.1","123.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","NH4[Gd(cdm)4(H2O)4].18c6.3H2O","","","- C28 H50 Gd N13 O17 -","- C28 H50 Gd N13 O17 -","- C112 H200 Gd4 N52 O68 -","4","1","","Emerson, Adrian J.; Edwards, Alison J.; Batten, Stuart R.; Turner, David R.","A neutron diffraction study of hydrogen bonding in isostructural potassium and ammonium lanthanoidates","CrystEngComm","2014","16","9","1625","","10.1039/c3ce42031k","","","0.7107","MoKα","","0.0386","0.0277","","","0.0563","0.0602","","","","","","1.088","","","","has coordinates,has disorder","180471","2020-10-21","18:00:00",""
"7214080","13.2276","0.0005","24.22","0.0008","14.1006","0.0005","90","","112.907","0.004","90","","4161.2","0.3","123.1","0.4","123.1","0.4","","","","","","","","5","P 1 21/n 1","-P 2yn","14","NH4[Dy(cdm)4(H2O)4].18c6.3H2O","","","- C28 H50 Dy N13 O17 -","- C28 H50 Dy N13 O17 -","- C112 H200 Dy4 N52 O68 -","4","1","","Emerson, Adrian J.; Edwards, Alison J.; Batten, Stuart R.; Turner, David R.","A neutron diffraction study of hydrogen bonding in isostructural potassium and ammonium lanthanoidates","CrystEngComm","2014","16","9","1625","","10.1039/c3ce42031k","","","0.7107","MoKα","","0.0514","0.0373","","","0.0727","0.0799","","","","","","1.109","","","","has coordinates,has disorder","180471","2020-10-21","18:00:00",""
"7214081","13.2104","0.0006","24.2021","0.0012","14.089","0.0007","90","","112.9","0.001","90","","4149.5","0.3","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","NH4[Er(cdm)4(H2O)4].18c6.3H2O","","","- C28 H50 Er N13 O17 -","- C28 H50 Er N13 O17 -","- C112 H200 Er4 N52 O68 -","4","1","","Emerson, Adrian J.; Edwards, Alison J.; Batten, Stuart R.; Turner, David R.","A neutron diffraction study of hydrogen bonding in isostructural potassium and ammonium lanthanoidates","CrystEngComm","2014","16","9","1625","","10.1039/c3ce42031k","","","0.71073","MoKα","","0.0402","0.0304","","","0.0615","0.0653","","","","","","1.001","","","","has coordinates,has disorder","180471","2020-10-21","18:00:00",""
"7214082","13.3165","0.0004","24.168","0.0006","14.0333","0.0004","90","","112.917","0.004","90","","4159.9","0.2","123.1","0.4","123.1","0.4","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Gd(cdm)4(H2O)4][K(18c6)(H2O)2].H2O","","","- C28 H46 Gd K N12 O17 -","- C28 H46 Gd K N12 O17 -","- C112 H184 Gd4 K4 N48 O68 -","4","1","","Emerson, Adrian J.; Edwards, Alison J.; Batten, Stuart R.; Turner, David R.","A neutron diffraction study of hydrogen bonding in isostructural potassium and ammonium lanthanoidates","CrystEngComm","2014","16","9","1625","","10.1039/c3ce42031k","","","0.7107","MoKα","","0.0398","0.0292","","","0.0593","0.0644","","","","","","1.044","","","","has coordinates,has disorder","180471","2020-10-21","18:00:00",""
"7214083","13.2831","0.0006","24.0971","0.0012","13.996","0.0006","90","","112.895","0.001","90","","4127","0.3","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Dy(cdm)4(H2O)4][K(18c6)(H2O)2].H2O","","","- C28 H46 Dy K N12 O17 -","- C28 H46 Dy K N12 O17 -","- C112 H184 Dy4 K4 N48 O68 -","4","1","","Emerson, Adrian J.; Edwards, Alison J.; Batten, Stuart R.; Turner, David R.","A neutron diffraction study of hydrogen bonding in isostructural potassium and ammonium lanthanoidates","CrystEngComm","2014","16","9","1625","","10.1039/c3ce42031k","","","0.71073","MoKα","","0.0309","0.0257","","","0.0547","0.057","","","","","","1.04","","","","has coordinates,has disorder","180471","2020-10-21","18:00:00",""
"7214084","13.2705","0.0008","24.0464","0.0014","13.9735","0.0008","90","","112.89","0.002","90","","4107.9","0.4","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Er(cdm)4(H2O)4][K(18c6)(H2O)2].H2O","","","- C28 H46 Er K N12 O17 -","- C28 H46 Er K N12 O17 -","- C112 H184 Er4 K4 N48 O68 -","4","1","","Emerson, Adrian J.; Edwards, Alison J.; Batten, Stuart R.; Turner, David R.","A neutron diffraction study of hydrogen bonding in isostructural potassium and ammonium lanthanoidates","CrystEngComm","2014","16","9","1625","","10.1039/c3ce42031k","","","0.71073","MoKα","","0.0317","0.0267","","","0.057","0.059","","","","","","1.028","","","","has coordinates,has disorder","180471","2020-10-21","18:00:00",""
"7214085","13.2276","0.0005","24.22","0.0008","14.1006","0.0005","90","","112.907","0.004","90","","4161.2","0.3","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","NH4[Dy(cdm)4(H2O)4].18c6.3H2O","","","- C28 H50 Dy N13 O17 -","- C28 H50 Dy N13 O17 -","- C112 H200 Dy4 N52 O68 -","4","1","","Emerson, Adrian J.; Edwards, Alison J.; Batten, Stuart R.; Turner, David R.","A neutron diffraction study of hydrogen bonding in isostructural potassium and ammonium lanthanoidates","CrystEngComm","2014","16","9","1625","","10.1039/c3ce42031k","","neutron","","neutron","","0.106","0.075","","","0.2014","0.215","","","","","","1.675","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214086","13.2831","0.0006","24.0971","0.0012","13.996","0.0006","90","","112.895","0.001","90","","4127","0.3","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[K(18c6)(H2O)2][Dy(cdm)4(H2O)4].H2O","","","- C28 H46 Dy K N12 O17 -","- C28 H46 Dy K N12 O17 -","- C112 H184 Dy4 K4 N48 O68 -","4","1","","Emerson, Adrian J.; Edwards, Alison J.; Batten, Stuart R.; Turner, David R.","A neutron diffraction study of hydrogen bonding in isostructural potassium and ammonium lanthanoidates","CrystEngComm","2014","16","9","1625","","10.1039/c3ce42031k","","neutron","","neutron","","0.127","0.0929","","","0.2469","0.2604","","","","","","2.002","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214087","21.54","0.02","25.71","0.015","31.95","0.01","90.92","0.04","88.87","0.02","74.53","0.02","17045","2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C336 H508 N4 O28 -","- C336 H508 N4 O28 -","- C672 H1016 N8 O56 -","2","1","","Brancatelli, Giovanna; Pappalardo, Sebastiano; Gattuso, Giuseppe; Notti, Anna; Pisagatti, Ilenia; Parisi, Melchiorre F.; Geremia, Silvano","Hydrogen bond-assisted solid-state formation of a salt-bridged calix[5]arene pseudo-dimer","CrystEngComm","2014","16","1","89","","10.1039/c3ce41667d","","","0.77491","","","0.1352","0.1276","","","0.3302","0.3342","","","","","","1.047","","","","has coordinates,has disorder","180471","2020-10-21","18:00:00",""
"7214088","12.4824","0.0012","7.3041","0.0007","15.4872","0.0016","90","","97.536","0.003","90","","1399.8","0.2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","TW-6-27 pyridine N-oxide, 1,3,5-F3-2,4,6-I3-benzene","","- C11 H5 F3 I3 N O -","- C11 H5 F3 I3 N O -","- C44 H20 F12 I12 N4 O4 -","4","1","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Desper, John","Constructing molecular polygons using halogen bonding and bifurcated N-oxides","CrystEngComm","2014","16","1","28","","10.1039/c3ce41887a","","","0.71073","MoKα","","0.0267","0.0249","","","0.0578","0.0586","","","","","","1.21","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214089","7.94","0.0005","8.5688","0.0006","11.5503","0.0008","89.243","0.002","83.738","0.002","65.57","0.002","710.77","0.08","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","TW-6-33 4-methylpyridine-N-oxide, 1,2-diiodotetrafluorobenzene","","- C12 H7 F4 I2 N O -","- C12 H7 F4 I2 N O -","- C24 H14 F8 I4 N2 O2 -","2","1","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Desper, John","Constructing molecular polygons using halogen bonding and bifurcated N-oxides","CrystEngComm","2014","16","1","28","","10.1039/c3ce41887a","","","0.71073","MoKα","","0.0307","0.0288","","","0.0753","0.0768","","","","","","1.089","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214090","7.8713","0.0009","23.203","0.003","7.8169","0.0009","90","","92.019","0.004","90","","1426.8","0.3","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","TW-6-37 3-methylpyridine-N-oxide, 1,2-diiodotetrafluorobenzene","","- C12 H7 F4 I2 N O -","- C12 H7 F4 I2 N O -","- C48 H28 F16 I8 N4 O4 -","4","1","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Desper, John","Constructing molecular polygons using halogen bonding and bifurcated N-oxides","CrystEngComm","2014","16","1","28","","10.1039/c3ce41887a","","","0.71073","MoKα","","0.0235","0.0221","","","0.0499","0.0505","","","","","","1.186","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214091","14.1359","0.0014","15.1116","0.0015","24.361","0.003","90","","105.927","0.003","90","","5004.1","0.9","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","TW-6-13 (2,3,5,6-Me4-pyrazine-1,4-dioxide)2, (1,2-I2-F4-benzene)4","","- C40 H24 F16 I8 N4 O4 -","- C40 H24 F16 I8 N4 O4 -","- C160 H96 F64 I32 N16 O16 -","4","1","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Desper, John","Constructing molecular polygons using halogen bonding and bifurcated N-oxides","CrystEngComm","2014","16","1","28","","10.1039/c3ce41887a","","","0.71073","MoKα","","0.0386","0.0341","","","0.0793","0.0816","","","","","","1.025","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214092","7.966","0.0006","9.2821","0.0007","10.1097","0.0008","100.812","0.003","106.262","0.002","95.408","0.003","696.29","0.09","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","TW-6-15 2,3,5,6-Me4-pyridine-1,4-dioxide, (1,3,5-F3-2,4,6-I3-benzene)2","","- C20 H12 F6 I6 N2 O2 -","- C20 H12 F6 I6 N2 O2 -","- C20 H12 F6 I6 N2 O2 -","1","0.5","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Desper, John","Constructing molecular polygons using halogen bonding and bifurcated N-oxides","CrystEngComm","2014","16","1","28","","10.1039/c3ce41887a","","","0.71073","MoKα","","0.022","0.0204","","","0.0522","0.053","","","","","","1.133","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214093","10.5781","0.0014","11.0107","0.0014","11.389","0.003","101.089","0.002","109.288","0.002","108.473","0.001","1120.3","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C8 H14 Ag8 Mo8 N16 O28 S4 -","- C8 H12 Ag8 Mo8 N16 O28 S4 -","- C8 H12 Ag8 Mo8 N16 O28 S4 -","1","0.5","","Xu, Xiao; Ju, Weiwei; Hou, Wentao; Zhu, Dunru; Xu, Yan","Two octamolybdate-based complexes: hydrothermal synthesis, structural characterization and properties","CrystEngComm","2014","16","1","82","","10.1039/c3ce41706a","","","0.71073","MoKα","","0.0424","0.0323","","","0.0714","0.075","","","","","","1.09","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214094","9.982","0.002","11.711","0.004","13.987","0.002","72.133","0.003","74.511","0.002","78.879","0.002","1488.7","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C2.77 H3.23 Ag0.31 Mo0.62 N1.38 O2 -","- C2.76923 H3.23077 Ag0.307692 Mo0.615385 N1.38462 O2 -","- C36 H42 Ag4 Mo8 N18 O26 -","13","6.5","","Xu, Xiao; Ju, Weiwei; Hou, Wentao; Zhu, Dunru; Xu, Yan","Two octamolybdate-based complexes: hydrothermal synthesis, structural characterization and properties","CrystEngComm","2014","16","1","82","","10.1039/c3ce41706a","","","0.71073","MoKα","","0.0718","0.0503","","","0.1457","0.1627","","","","","","1.089","","","","has coordinates,has disorder","180471","2020-10-21","18:00:00",""
"7214095","9.6707","0.0007","12.307","0.0007","14.5432","0.0012","85.266","0.002","74.549","0.005","82.829","0.006","1653.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H38 N6 O8 S -","- C31 H38 N6 O8 S -","- C62 H76 N12 O16 S2 -","2","1","","Žegarac, Miroslav; Lekšić, Edislav; Šket, Primož; Plavec, Janez; Devčić Bogdanović, Maja; Bučar, Dejan-Krešimir; Dumić, Miljenko; Meštrović, Ernest","A sildenafil cocrystal based on acetylsalicylic acid exhibits an enhanced intrinsic dissolution rate","CrystEngComm","2014","16","1","32","","10.1039/c3ce42013b","","","1.54184","CuKα","","0.187","0.1244","","","0.3147","0.3654","","","","","","1.12","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214096","17.0111","0.0011","17.6763","0.0012","20.7596","0.0015","70.129","0.001","70.393","0.001","89.545","0.001","5490.4","0.7","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H40 Cu1.5 N6 O33 S4 -","- C58 H40 Cu1.5 N6 O33 S4 -","- C116 H80 Cu3 N12 O66 S8 -","2","1","","Zheng, Guo-Li; Yang, Guo-Cheng; Song, Shu-Yan; Song, Xue-Zhi; Zhang, Hong-Jie","Constructing porous MOF based on the assembly of layer framework and p-sulfonatocalix[4]arene nanocapsule with proton-conductive property","CrystEngComm","2014","16","1","64","","10.1039/c2ce26075a","","","0.71073","MoKα","","0.1306","0.0929","","","0.2537","0.2774","","","","","","0.961","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7214097","17.778","0.0013","17.778","0.0013","18.6529","0.0013","90","","90","","120","","5105.6","0.6","210","2","210","2","","","","","","","","5","R -3 :H","-R 3","148","","(2-methyl-imidazolate-4-amide-5-imidato)-cobalt(II) dimethylformamide solvate","","- C7.5 H9.5 Co N4.5 O2.5 -","- C6 H6 Co N4 O2 -","- C108 H108 Co18 N72 O36 -","18","1","","Mondal, Suvendu Sekhar; Bhunia, Asamanjoy; Demeshko, Serhiy; Kelling, Alexandra; Schilde, Uwe; Janiak, Christoph; Holdt, Hans-Jürgen","Synthesis of a Co(ii)‒imidazolate framework from an anionic linker precursor: gas-sorption and magnetic properties","CrystEngComm","2014","16","1","39","","10.1039/c3ce42040j","","","0.71073","MoKα","","0.0772","0.0482","","","0.1142","0.1245","","","","","","0.984","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214098","10.584","0.002","11.362","0.002","15.896","0.003","107.23","0.03","92.05","0.03","109.7","0.03","1699.3","0.8","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H60 Cd2 Cl4 N4 O8 -","- C80 H60 Cd2 Cl4 N4 O8 -","- C80 H60 Cd2 Cl4 N4 O8 -","1","0.5","","Liu, Dong; Lang, Jian-Ping","Regiospecific photodimerization reactions of an unsymmetrical alkene in two coordination compounds","CrystEngComm","2014","16","1","76","","10.1039/c3ce41609g","","","0.71073","MoKα","","0.0456","0.0371","","","0.0837","0.0868","","","","","","0.974","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214099","8.7925","0.0018","11.978","0.002","14.391","0.003","89.67","0.03","74.91","0.03","81.01","0.03","1444.4","0.5","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H46 Cd2 N6 O28 -","- C58 H46 Cd2 N6 O28 -","- C58 H46 Cd2 N6 O28 -","1","0.5","","Liu, Dong; Lang, Jian-Ping","Regiospecific photodimerization reactions of an unsymmetrical alkene in two coordination compounds","CrystEngComm","2014","16","1","76","","10.1039/c3ce41609g","","","0.71073","MoKα","","0.0316","0.0281","","","0.0647","0.0658","","","","","","0.99","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214100","18.423","0.005","18.423","0.005","26.934","0.007","90","","90","","120","","7917","4","173","2","173","2","","","","","","","","6","P 63 2 2","P 6c 2c","182","","","","- C120 H180 Co6 N6 O50 Zr6 -","- C120 H180 Co6 N6 O50 Zr6 -","- C240 H360 Co12 N12 O100 Zr12 -","2","0.166667","","Malaestean, Iurie L.; Alıcı, Meliha Kutluca; Besson, Claire; Ellern, Arkady; Kögerler, Paul","Solid-state coexistence of {Zr12} and {Zr6} zirconium oxocarboxylate clusters","CrystEngComm","2014","16","1","43","","10.1039/c3ce41829d","","","0.71073","MoKα","","0.0855","0.085","","","0.2102","0.2106","","","","","","1.232","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214101","36.819","0.004","31.046","0.003","28.384","0.005","90","","123.688","0.001","90","","26997","6","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C174 H287 Co8 N21 O119 Zr18 -","- C174 H287 Co8 N21 O119 Zr18 -","- C696 H1148 Co32 N84 O476 Zr72 -","4","0.5","","Malaestean, Iurie L.; Alıcı, Meliha Kutluca; Besson, Claire; Ellern, Arkady; Kögerler, Paul","Solid-state coexistence of {Zr12} and {Zr6} zirconium oxocarboxylate clusters","CrystEngComm","2014","16","1","43","","10.1039/c3ce41829d","","","0.71073","MoKα","","0.1198","0.0752","","","0.1916","0.2613","","","","","","1.1","","","","has coordinates,has disorder","180472","2020-10-21","18:00:00",""
"7214102","19.098","0.004","19.098","0.004","16.333","0.003","90","","90","","120","","5159.1","1.8","150","2","150","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C39 H74 N3 O16 P3 -","- C39 H69 N3 O16 P3 -","- C156 H276 N12 O64 P12 -","4","0.333333","","Kalita, Alok Ch.; Sharma, Kamna; Murugavel, Ramaswamy","Pseudopolymorphism leading and two different supramolecular aggregations in a phosphate monoester: role of a rare water-dimer","CrystEngComm","2014","16","1","51","","10.1039/c3ce40912k","","","0.71075","MoKα","","0.0645","0.0638","","","0.1783","0.179","","","","","","1.084","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7214103","11.946","0.005","11.952","0.005","12.21","0.005","116.916","0.007","90.454","0.004","92.865","0.007","1551.6","1.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H24 N O5 P -","- C13 H24 N O5 P -","- C52 H96 N4 O20 P4 -","4","2","","Kalita, Alok Ch.; Sharma, Kamna; Murugavel, Ramaswamy","Pseudopolymorphism leading and two different supramolecular aggregations in a phosphate monoester: role of a rare water-dimer","CrystEngComm","2014","16","1","51","","10.1039/c3ce40912k","","","0.71075","MoKα","","0.0654","0.049","","","0.1051","0.1131","","","","","","1.058","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214104","19.394","0.016","35.68","0.03","15.18","0.011","90","","90.311","0.015","90","","10504","15","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H20.66667 N O4.33333 P -","- C12 H19 N O4.33333 P -","- C288 H456 N24 O104 P24 -","24","3","","Kalita, Alok Ch.; Sharma, Kamna; Murugavel, Ramaswamy","Pseudopolymorphism leading and two different supramolecular aggregations in a phosphate monoester: role of a rare water-dimer","CrystEngComm","2014","16","1","51","","10.1039/c3ce40912k","","","0.71075","MoKα","","0.1435","0.1331","","","0.2882","0.2947","","","","","","1.241","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214105","29.37","0.006","20.998","0.003","27.36","0.004","90","","90","","90","","16873","5","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C24 H12 Cd1.81 Na0.69 O12 -","- C24 H12 Cd1.84 Na0.66 O12 -","- C384 H192 Cd29.44 Na10.56 O192 -","16","1","","Luo, Yu-Hui; Yu, Xiao-Yang; Yang, Jia-Jun; Zhang, Hong","An eight-connected porous metal‒organic framework based on hetero pentanuclear clusters","CrystEngComm","2014","16","1","47","","10.1039/c3ce41785a","","","0.71073","MoKα","","0.1016","0.0746","","","0.1961","0.2174","","","","","","0.991","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7214106","10.477","0.0004","23.0584","0.001","22.7761","0.0009","90","","99.028","0.002","90","","5434.2","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H56 N6 Ni S2 -","- C62 H56 N6 Ni S2 -","- C248 H224 N24 Ni4 S8 -","4","1","","Lusi, Matteo; Barbour, Leonard J.","Temperature-dependent guest reorientation: a reversible order‒disorder transformation in a single crystal","CrystEngComm","2014","16","1","36","","10.1039/c3ce41572d","","","0.71073","MoKα","","0.082","0.0466","","","0.102","0.1159","","","","","","1.03","","","","has coordinates,has disorder","180472","2020-10-21","18:00:00",""
"7214107","10.477","0.0004","23.0584","0.001","22.7761","0.0009","90","","99.028","0.002","90","","5434.2","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","173D","","","- C62 H56 N6 Ni S2 -","- C62 H56 N6 Ni S2 -","- C248 H224 N24 Ni4 S8 -","4","1","","Lusi, Matteo; Barbour, Leonard J.","Temperature-dependent guest reorientation: a reversible order‒disorder transformation in a single crystal","CrystEngComm","2014","16","1","36","","10.1039/c3ce41572d","","","0.71073","MoKα","","0.1131","0.0572","","","0.1402","0.1685","","","","","","0.965","","","","has coordinates,has disorder","180472","2020-10-21","18:00:00",""
"7214108","10.5793","0.0002","23.1141","0.0004","22.866","0.0004","90","","99.516","0.001","90","","5514.5","0.17","243","2","243","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H56 N6 Ni S2 -","- C61.968 H55.96 N6 Ni S2 -","- C247.872 H223.84 N24 Ni4 S8 -","4","0.5","","Lusi, Matteo; Barbour, Leonard J.","Temperature-dependent guest reorientation: a reversible order‒disorder transformation in a single crystal","CrystEngComm","2014","16","1","36","","10.1039/c3ce41572d","","","0.71073","MoKα","","0.1116","0.0608","","","0.1572","0.1778","","","","","","0.912","","","","has coordinates,has disorder","180472","2020-10-21","18:00:00",""
"7214109","10.6221","0.0007","23.1917","0.0016","23.0275","0.0015","90","","99.649","0.004","90","","5592.4","0.6","313","2","313","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C61.99 H55.99 N6 Ni S2 -","- C61.984 H55.98 N6 Ni S2 -","- C247.936 H223.92 N24 Ni4 S8 -","4","0.5","","Lusi, Matteo; Barbour, Leonard J.","Temperature-dependent guest reorientation: a reversible order‒disorder transformation in a single crystal","CrystEngComm","2014","16","1","36","","10.1039/c3ce41572d","","","0.71073","MoKα","","0.1347","0.058","","","0.1517","0.1847","","","","","","1.018","","","","has coordinates,has disorder","180472","2020-10-21","18:00:00",""
"7214110","11.0368","0.0005","8.6083","0.0004","12.0762","0.0006","90","","109.049","0.005","90","","1084.51","0.09","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","Celecoxib-2-Pyrrolidinone","","","- C21 H21 F3 N4 O3 S -","- C21 H21 F3 N4 O3 S -","- C42 H42 F6 N8 O6 S2 -","2","1","","Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini","Celecoxib cocrystal polymorphs with cyclic amides: synthons of a sulfonamide drug with carboxamide coformers","CrystEngComm","2014","16","1","24","","10.1039/c3ce41885e","","","0.71073","MoKα","","0.0509","0.0435","","","0.1047","0.1109","","","","","","1.037","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214111","8.0409","0.0005","27.2426","0.0018","11.7927","0.0008","90","","105.806","0.007","90","","2485.6","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Celecoxib-Aza-2-cyclooctanone","","","- C24 H27 F3 N4 O3 S -","- C24 H27 F3 N4 O3 S -","- C96 H108 F12 N16 O12 S4 -","4","1","","Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini","Celecoxib cocrystal polymorphs with cyclic amides: synthons of a sulfonamide drug with carboxamide coformers","CrystEngComm","2014","16","1","24","","10.1039/c3ce41885e","","","0.71073","MoKα","","0.1211","0.076","","","0.2099","0.2281","","","","","","1.031","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214112","11.7189","0.0011","8.7409","0.0006","12.0503","0.001","90","","103.353","0.01","90","","1200.99","0.18","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","Celecoxib-Caprolactam","","","- C23 H25 F3 N4 O3 S -","- C23 H25 F3 N4 O3 S -","- C46 H50 F6 N8 O6 S2 -","2","1","","Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini","Celecoxib cocrystal polymorphs with cyclic amides: synthons of a sulfonamide drug with carboxamide coformers","CrystEngComm","2014","16","1","24","","10.1039/c3ce41885e","","","0.71073","MoKα","","0.0595","0.0544","","","0.1495","0.1559","","","","","","1.017","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214113","8.7346","0.0006","11.2689","0.001","12.2391","0.0009","81.622","0.007","87.56","0.006","73.363","0.007","1141.94","0.16","298","2","298","2","","","","","","","","6","P -1","-P 1","2","Celecoxib-Valerolactam-Form-I","","","- C22 H23 F3 N4 O3 S -","- C22 H23 F3 N4 O3 S -","- C44 H46 F6 N8 O6 S2 -","2","1","","Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini","Celecoxib cocrystal polymorphs with cyclic amides: synthons of a sulfonamide drug with carboxamide coformers","CrystEngComm","2014","16","1","24","","10.1039/c3ce41885e","","","0.71073","MoKα","","0.1207","0.0577","","","0.1078","0.1374","","","","","","0.953","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214114","22.591","0.002","8.6211","0.0008","23.814","0.002","90","","102.163","0.001","90","","4533.9","0.7","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Celecoxib-Valerolactam-Form-II","","","- C22 H23 F3 N4 O3 S -","- C22 H23 F3 N4 O3 S -","- C176 H184 F24 N32 O24 S8 -","8","2","","Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini","Celecoxib cocrystal polymorphs with cyclic amides: synthons of a sulfonamide drug with carboxamide coformers","CrystEngComm","2014","16","1","24","","10.1039/c3ce41885e","","","0.71073","MoKα","","0.0762","0.0618","","","0.1728","0.1878","","","","","","1.027","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214115","14.8501","0.0018","8.419","0.0011","17.761","0.002","90","","93.901","0.002","90","","2215.4","0.5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Celecoxib-Valerolactam-Form-III","","","- C22 H23 F3 N4 O3 S -","- C22 H23 F3 N4 O3 S -","- C88 H92 F12 N16 O12 S4 -","4","1","","Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini","Celecoxib cocrystal polymorphs with cyclic amides: synthons of a sulfonamide drug with carboxamide coformers","CrystEngComm","2014","16","1","24","","10.1039/c3ce41885e","","","0.71073","MoKα","","0.0998","0.085","","","0.1802","0.1881","","","","","","1.234","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214137","13.2539","0.0016","4.4978","0.0005","15.1638","0.0018","90","","113.097","0.001","90","","831.51","0.17","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 N3 O2 -","- C8 H7 N3 O2 -","- C32 H28 N12 O8 -","4","1","","Wang, Jin-Hua; Tang, Gui-Mei; Wang, Yong-Tao; Qin, Ting-Xiao; Ng, Seik Weng","Metal-directed assembly of coordination polymers with the versatile ligand 2-(1H-benzotriazol-1-yl) acetic acid: from discrete structures to two-dimensional networks","CrystEngComm","2014","16","13","2660","","10.1039/c3ce42099j","","","0.71073","MoKα","","0.0581","0.0409","","","0.1062","0.1181","","","","","","1.045","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214138","7.5226","0.0005","8.9711","0.0006","9.9836","0.0006","108.789","0.001","96.883","0.001","96.573","0.001","624.8","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H32 Co N6 O14 -","- C16 H32 Co N6 O14 -","- C16 H32 Co N6 O14 -","1","0.5","","Wang, Jin-Hua; Tang, Gui-Mei; Wang, Yong-Tao; Qin, Ting-Xiao; Ng, Seik Weng","Metal-directed assembly of coordination polymers with the versatile ligand 2-(1H-benzotriazol-1-yl) acetic acid: from discrete structures to two-dimensional networks","CrystEngComm","2014","16","13","2660","","10.1039/c3ce42099j","","","0.71073","MoKα","","0.0381","0.0377","","","0.1135","0.1139","","","","","","1.236","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214139","7.6133","0.0007","9.0446","0.0009","9.8805","0.0009","109.078","0.001","97.01","0.001","96.388","0.001","629.85","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H32 N6 Ni O14 -","- C16 H32 N6 Ni O14 -","- C16 H32 N6 Ni O14 -","1","0.5","","Wang, Jin-Hua; Tang, Gui-Mei; Wang, Yong-Tao; Qin, Ting-Xiao; Ng, Seik Weng","Metal-directed assembly of coordination polymers with the versatile ligand 2-(1H-benzotriazol-1-yl) acetic acid: from discrete structures to two-dimensional networks","CrystEngComm","2014","16","13","2660","","10.1039/c3ce42099j","","","0.71073","MoKα","","0.0398","0.0354","","","0.1003","0.1043","","","","","","1.083","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214140","9.726","0.012","10.303","0.013","13.774","0.017","82.146","0.018","71.384","0.018","83.78","0.02","1293","3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H44 Cu2 N18 O14 -","- C48 H44 Cu2 N18 O14 -","- C48 H44 Cu2 N18 O14 -","1","0.5","","Wang, Jin-Hua; Tang, Gui-Mei; Wang, Yong-Tao; Qin, Ting-Xiao; Ng, Seik Weng","Metal-directed assembly of coordination polymers with the versatile ligand 2-(1H-benzotriazol-1-yl) acetic acid: from discrete structures to two-dimensional networks","CrystEngComm","2014","16","13","2660","","10.1039/c3ce42099j","","","0.71073","MoKα","","0.1468","0.0571","","","0.0846","0.107","","","","","","1.009","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214141","6.9803","0.0001","8.0918","0.0001","9.3207","0.0001","70.662","0.001","74.329","0.001","74.113","0.001","468.351","0.011","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H8 Ag N3 O3 -","- C8 H8 Ag N3 O3 -","- C16 H16 Ag2 N6 O6 -","2","1","","Wang, Jin-Hua; Tang, Gui-Mei; Wang, Yong-Tao; Qin, Ting-Xiao; Ng, Seik Weng","Metal-directed assembly of coordination polymers with the versatile ligand 2-(1H-benzotriazol-1-yl) acetic acid: from discrete structures to two-dimensional networks","CrystEngComm","2014","16","13","2660","","10.1039/c3ce42099j","","","0.71073","MoKα","","0.0272","0.0245","","","0.059","0.061","","","","","","1.052","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214142","13.3029","0.001","15.8363","0.0012","8.052","0.0006","90","","93.003","0.001","90","","1694","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 N6 O5 Zn -","- C16 H14 N6 O5 Zn -","- C64 H56 N24 O20 Zn4 -","4","0.5","","Wang, Jin-Hua; Tang, Gui-Mei; Wang, Yong-Tao; Qin, Ting-Xiao; Ng, Seik Weng","Metal-directed assembly of coordination polymers with the versatile ligand 2-(1H-benzotriazol-1-yl) acetic acid: from discrete structures to two-dimensional networks","CrystEngComm","2014","16","13","2660","","10.1039/c3ce42099j","","","0.71073","MoKα","","0.0236","0.0219","","","0.0614","0.0625","","","","","","1.054","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214143","13.7012","0.0009","16.2853","0.001","7.9527","0.0005","90","","95.641","0.001","90","","1765.88","0.19","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 Cd N6 O5 -","- C16 H14 Cd N6 O5 -","- C64 H56 Cd4 N24 O20 -","4","0.5","","Wang, Jin-Hua; Tang, Gui-Mei; Wang, Yong-Tao; Qin, Ting-Xiao; Ng, Seik Weng","Metal-directed assembly of coordination polymers with the versatile ligand 2-(1H-benzotriazol-1-yl) acetic acid: from discrete structures to two-dimensional networks","CrystEngComm","2014","16","13","2660","","10.1039/c3ce42099j","","","0.71073","MoKα","","0.0179","0.0168","","","0.0461","0.047","","","","","","1.023","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214144","9.485","0.0009","10.5635","0.001","15.7452","0.0016","98.015","0.001","91.021","0.001","114.802","0.001","1413","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H21 Cu2 N9 O8 -","- C24 H21 Cu2 N9 O8 -","- C48 H42 Cu4 N18 O16 -","2","1","","Wang, Jin-Hua; Tang, Gui-Mei; Wang, Yong-Tao; Qin, Ting-Xiao; Ng, Seik Weng","Metal-directed assembly of coordination polymers with the versatile ligand 2-(1H-benzotriazol-1-yl) acetic acid: from discrete structures to two-dimensional networks","CrystEngComm","2014","16","13","2660","","10.1039/c3ce42099j","","","0.71073","MoKα","","0.0596","0.0457","","","0.1355","0.1465","","","","","","1.046","","","","has coordinates,has disorder","180472","2020-10-21","18:00:00",""
"7214145","16.2735","0.0018","7.0113","0.0008","7.9722","0.0009","90","","90.037","0.001","90","","909.61","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Mn N6 O6 -","- C16 H16 Mn N6 O6 -","- C32 H32 Mn2 N12 O12 -","2","0.5","","Wang, Jin-Hua; Tang, Gui-Mei; Wang, Yong-Tao; Qin, Ting-Xiao; Ng, Seik Weng","Metal-directed assembly of coordination polymers with the versatile ligand 2-(1H-benzotriazol-1-yl) acetic acid: from discrete structures to two-dimensional networks","CrystEngComm","2014","16","13","2660","","10.1039/c3ce42099j","","","0.71073","MoKα","","0.0402","0.0312","","","0.0752","0.0866","","","","","","1.105","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214146","8.697","0.004","18.417","0.003","19.169","0.004","90","","107.498","0.013","90","","2928.3","1.6","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 N5 -","- C18 H13 N5 -","- C144 H104 N40 -","8","2","","Wang, Hai-Ning; Shan, Guo-Gang; Li, Hai-Bin; Wang, Xin-Long; Cao, Hong-Tao; Su, Zhong-Min","A series of coordination compounds containing rigid multi-pyridine based ligands: syntheses, structures and properties","CrystEngComm","2014","16","13","2754","","10.1039/c3ce41841c","","","0.71069","MoKα","","0.0763","0.0426","","","0.089","0.0997","","","","","","0.905","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214147","7.548","0.004","10.06","0.005","30.328","0.003","85.046","0.004","87.38","0.002","77.318","0.001","2237.5","1.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H45 N12 O15.5 Zn -","- C36 H30 N12 O15.5 Zn -","- C72 H60 N24 O31 Zn2 -","2","1","","Wang, Hai-Ning; Shan, Guo-Gang; Li, Hai-Bin; Wang, Xin-Long; Cao, Hong-Tao; Su, Zhong-Min","A series of coordination compounds containing rigid multi-pyridine based ligands: syntheses, structures and properties","CrystEngComm","2014","16","13","2754","","10.1039/c3ce41841c","","","0.71069","MoKα","","0.1422","0.1039","","","0.2595","0.2826","","","","","","1.102","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7214148","11.642","0.003","10.284","0.005","19.916","0.003","90","","114.706","0.016","90","","2166.2","1.3","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C40 H46 N10 O11 Zn -","- C40 H36 N10 O11 Zn -","- C80 H72 N20 O22 Zn2 -","2","0.5","","Wang, Hai-Ning; Shan, Guo-Gang; Li, Hai-Bin; Wang, Xin-Long; Cao, Hong-Tao; Su, Zhong-Min","A series of coordination compounds containing rigid multi-pyridine based ligands: syntheses, structures and properties","CrystEngComm","2014","16","13","2754","","10.1039/c3ce41841c","","","0.71069","MoKα","","0.126","0.0553","","","0.1135","0.1351","","","","","","0.869","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214149","12.036","0.003","10.259","0.003","17.392","0.004","90","","103.406","0.004","90","","2089","0.9","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C36 H44 Cd N12 O15 -","- C36 H26 Cd N12 O15 -","- C72 H52 Cd2 N24 O30 -","2","0.5","","Wang, Hai-Ning; Shan, Guo-Gang; Li, Hai-Bin; Wang, Xin-Long; Cao, Hong-Tao; Su, Zhong-Min","A series of coordination compounds containing rigid multi-pyridine based ligands: syntheses, structures and properties","CrystEngComm","2014","16","13","2754","","10.1039/c3ce41841c","","","0.71069","MoKα","","0.151","0.0965","","","0.265","0.293","","","","","","0.994","","","","has coordinates,has disorder","180472","2020-10-21","18:00:00",""
"7214150","10.395","0.003","11.295","0.004","17.949","0.002","74.14","0.004","84.051","0.004","77.807","0.003","1979.1","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H40 Cd N10 O7 -","- C40 H31 Cd N10 O7 -","- C80 H62 Cd2 N20 O14 -","2","1","","Wang, Hai-Ning; Shan, Guo-Gang; Li, Hai-Bin; Wang, Xin-Long; Cao, Hong-Tao; Su, Zhong-Min","A series of coordination compounds containing rigid multi-pyridine based ligands: syntheses, structures and properties","CrystEngComm","2014","16","13","2754","","10.1039/c3ce41841c","","","0.71069","MoKα","","0.0996","0.0501","","","0.0971","0.1099","","","","","","0.853","","","","has coordinates,has disorder","180472","2020-10-21","18:00:00",""
"7214151","9.1893","0.0003","26.0295","0.0008","12.8033","0.0004","90","","93.311","0.001","90","","3057.35","0.17","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 Co3 N3 O17 -","- C25 H27 Co3 N3 O17 -","- C100 H108 Co12 N12 O68 -","4","1","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Su, Chong-Cheng; Hsu, Hui-Huan; Yang, Chen-I; Lu, Kuang-Lieh","An unusual cobalt(ii)-based single-walled metal‒organic nanotube","CrystEngComm","2014","16","13","2626","","10.1039/c3ce41952e","","","0.71073","MoKα","","0.0334","0.0271","","","0.0661","0.079","","","","","","1.105","","","","has coordinates,has disorder","180472","2020-10-21","18:00:00",""
"7214152","19.0317","0.0008","7.4124","0.0004","26.3256","0.0012","90","","90.092","0.002","90","","3713.8","0.3","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 Co4 N4 O26 -","- C28 H32 Co4 N4 O26 -","- C112 H128 Co16 N16 O104 -","4","1","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Su, Chong-Cheng; Hsu, Hui-Huan; Yang, Chen-I; Lu, Kuang-Lieh","An unusual cobalt(ii)-based single-walled metal‒organic nanotube","CrystEngComm","2014","16","13","2626","","10.1039/c3ce41952e","","","0.71073","MoKα","","0.0283","0.0272","","","0.0671","0.068","","","","","","1.037","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214153","16.4253","0.0004","15.1866","0.0004","12.6499","0.0003","90","","101.602","0.001","90","","3090.98","0.13","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H34 Co2 N6 O14 -","- C28 H34 Co2 N6 O14 -","- C112 H136 Co8 N24 O56 -","4","0.5","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Su, Chong-Cheng; Hsu, Hui-Huan; Yang, Chen-I; Lu, Kuang-Lieh","An unusual cobalt(ii)-based single-walled metal‒organic nanotube","CrystEngComm","2014","16","13","2626","","10.1039/c3ce41952e","","","0.71073","MoKα","","0.0399","0.0361","","","0.0908","0.0935","","","","","","0.997","","","","has coordinates,has disorder","180472","2020-10-21","18:00:00",""
"7214154","14.437","0.009","17.293","0.011","5.604","0.004","90","","90.202","0.008","90","","1399.1","1.6","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H18 N2 O8 P2 -","- C11 H18 N2 O8 P2 -","- C44 H72 N8 O32 P8 -","4","1","","Tian, Di; Xiong, Juan; Liang, Xi-chao; Deng, Jing; Yuan, Liang-jie; Chen, Shuo-ping","(AEDPH3)·(8-OQH)·(H2O): a yellow supramolecular plaster with ammonia adsorption and ammonia-induced discoloration properties","CrystEngComm","2014","16","13","2732","","10.1039/c3ce41940a","","","0.71073","MoKα","","0.1246","0.1117","","","0.3106","0.3306","","","","","","1.378","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214155","16.654","0.003","20.426","0.004","21.802","0.007","90","","128.991","0.018","90","","5764","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H49 Co3 N3 O23 S3 -","- C48 H38 Co3 N2 O22 S3 -","- C192 H152 Co12 N8 O88 S12 -","4","1","","Huang, Chao; Ji, Feixiang; Liu, Lu; Li, Na; Li, Haofei; Wu, Jie; Hou, Hongwei; Fan, Yaoting","Seven dicarboxylate-based coordination polymers with structural varieties and different solvent resistance properties derived from the introduction of small organic linkers","CrystEngComm","2014","16","13","2615","","10.1039/c3ce42366b","","","0.71073","MoKα","","0.1238","0.0939","","","0.2407","0.2602","","","","","","1.118","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214156","25.087","0.004","25.087","0.004","15.026","0.003","90","","90","","90","","9457","3","293","2","293","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C16 H15 Co2 N3 O9 S -","- C16 H10 Co2 N3 O8 S -","- C256 H160 Co32 N48 O128 S16 -","16","1","","Huang, Chao; Ji, Feixiang; Liu, Lu; Li, Na; Li, Haofei; Wu, Jie; Hou, Hongwei; Fan, Yaoting","Seven dicarboxylate-based coordination polymers with structural varieties and different solvent resistance properties derived from the introduction of small organic linkers","CrystEngComm","2014","16","13","2615","","10.1039/c3ce42366b","","","0.71073","MoKα","","0.0468","0.041","","","0.1055","0.1095","","","","","","1.119","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214157","25.37","0.01","25.37","0.01","15.204","0.003","90","","90","","90","","9786","6","293","2","293","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C16 H16 Co2 N4 O9 S -","- C16 H11 Co2 N4 O8 S -","- C256 H176 Co32 N64 O128 S16 -","16","1","","Huang, Chao; Ji, Feixiang; Liu, Lu; Li, Na; Li, Haofei; Wu, Jie; Hou, Hongwei; Fan, Yaoting","Seven dicarboxylate-based coordination polymers with structural varieties and different solvent resistance properties derived from the introduction of small organic linkers","CrystEngComm","2014","16","13","2615","","10.1039/c3ce42366b","","","0.71073","MoKα","","0.1506","0.1078","","","0.2408","0.2701","","","","","","1.149","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214158","23.564","0.005","7.1412","0.0014","32.254","0.007","90","","105.5","0.03","90","","5230","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H19 Co N3 O8.5 S2 -","- C24 H16 Co N3 O7 S2 -","- C192 H128 Co8 N24 O56 S16 -","8","1","","Huang, Chao; Ji, Feixiang; Liu, Lu; Li, Na; Li, Haofei; Wu, Jie; Hou, Hongwei; Fan, Yaoting","Seven dicarboxylate-based coordination polymers with structural varieties and different solvent resistance properties derived from the introduction of small organic linkers","CrystEngComm","2014","16","13","2615","","10.1039/c3ce42366b","","","0.71073","MoKα","","0.0825","0.0623","","","0.1252","0.1351","","","","","","1.142","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214159","12.248","0.002","22.262","0.005","7.1435","0.0014","90","","124.47","0.03","90","","1605.8","0.8","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C14 H13 Cu O8.5 S -","- C14 H8 Cu O7 S -","- C56 H32 Cu4 O28 S4 -","4","0.5","","Huang, Chao; Ji, Feixiang; Liu, Lu; Li, Na; Li, Haofei; Wu, Jie; Hou, Hongwei; Fan, Yaoting","Seven dicarboxylate-based coordination polymers with structural varieties and different solvent resistance properties derived from the introduction of small organic linkers","CrystEngComm","2014","16","13","2615","","10.1039/c3ce42366b","","","0.71073","MoKα","","0.0468","0.0409","","","0.095","0.0987","","","","","","1.07","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214160","24.344","0.003","24.344","0.003","15.067","0.003","90","","90","","90","","8929","2","293","2","293","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C16 H15 Cu2 N3 O9 S -","- C16 H10 Cu2 N3 O8 S -","- C256 H160 Cu32 N48 O128 S16 -","16","1","","Huang, Chao; Ji, Feixiang; Liu, Lu; Li, Na; Li, Haofei; Wu, Jie; Hou, Hongwei; Fan, Yaoting","Seven dicarboxylate-based coordination polymers with structural varieties and different solvent resistance properties derived from the introduction of small organic linkers","CrystEngComm","2014","16","13","2615","","10.1039/c3ce42366b","","","0.71073","MoKα","","0.0814","0.0722","","","0.1833","0.1913","","","","","","1.039","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214161","30.671","0.006","16.577","0.003","9.851","0.002","90","","90","","90","","5008.6","1.7","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C18 H15 N8 O6.5 S Zn2 -","- C18 H14 N8 O6 S Zn2 -","- C144 H112 N64 O48 S8 Zn16 -","8","1","","Huang, Chao; Ji, Feixiang; Liu, Lu; Li, Na; Li, Haofei; Wu, Jie; Hou, Hongwei; Fan, Yaoting","Seven dicarboxylate-based coordination polymers with structural varieties and different solvent resistance properties derived from the introduction of small organic linkers","CrystEngComm","2014","16","13","2615","","10.1039/c3ce42366b","","","0.71073","MoKα","","0.0755","0.0505","","","0.1138","0.1252","","","","","","1.023","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214162","22.9377","0.0004","11.6666","0.0002","23.2743","0.0003","90","","110.939","0.001","90","","5817.01","0.17","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H24 Co2 N4 O4 -","- C36 H24 Co2 N4 O4 -","- C288 H192 Co16 N32 O32 -","8","1","","Zhang, Xiao-min; Li, Jian-qiang; Liu, Shu-juan; Luo, Ming-biao; Xu, Wen-yuan; Luo, Feng","Modulation of experimental conditions towards generation of a heterometallic Na2Co4 cluster or a homometallic Co4 cluster and ligand formed in situ","CrystEngComm","2014","16","13","2570","","10.1039/c3ce42466a","","","0.71073","MoKα","","0.04","0.0292","","","0.0723","0.0791","","","","","","1.047","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214163","13.2745","0.0008","13.8673","0.0007","14.0374","0.0008","68.967","0.003","62.873","0.004","68.017","0.003","2076.4","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C98 H68 Co4 N10 Na2 O10 -","- C98 H68 Co4 N10 Na2 O10 -","- C98 H68 Co4 N10 Na2 O10 -","1","0.5","","Zhang, Xiao-min; Li, Jian-qiang; Liu, Shu-juan; Luo, Ming-biao; Xu, Wen-yuan; Luo, Feng","Modulation of experimental conditions towards generation of a heterometallic Na2Co4 cluster or a homometallic Co4 cluster and ligand formed in situ","CrystEngComm","2014","16","13","2570","","10.1039/c3ce42466a","","","0.71073","MoKα","","0.0827","0.0441","","","0.0975","0.1171","","","","","","0.995","","","","has coordinates","183806","2020-10-21","18:00:00",""
"7214164","8.792","0.004","11.024","0.005","16.479","0.007","84.58","0.007","85.459","0.007","78.893","0.007","1557.2","1.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H74 Mn4 N4 O26 -","- C58 H72 Mn4 N4 O25 -","- C58 H72 Mn4 N4 O25 -","1","0.5","","Liu, Fuling; Zhang, Liangliang; Wang, Rongming; Sun, Jie; Yang, Jie; Chen, Zhen; Wang, Xingpo; Sun, Daofeng","Five MOFs with different topologies based on anthracene functionalized tetracarboxylic acid: syntheses, structures, and properties","CrystEngComm","2014","16","14","2917","","10.1039/c3ce42152j","","","0.71073","MoKα","","0.1019","0.0659","","","0.1601","0.1833","","","","","","1.029","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214165","11.08","0.003","16.583","0.004","16.6","0.004","68.533","0.005","89.208","0.004","89.167","0.004","2838.1","1.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H42 N0 Ni2 O22 -","- C34 H30 Ni2 O16 -","- C68 H60 Ni4 O32 -","2","1","","Liu, Fuling; Zhang, Liangliang; Wang, Rongming; Sun, Jie; Yang, Jie; Chen, Zhen; Wang, Xingpo; Sun, Daofeng","Five MOFs with different topologies based on anthracene functionalized tetracarboxylic acid: syntheses, structures, and properties","CrystEngComm","2014","16","14","2917","","10.1039/c3ce42152j","","","0.71073","MoKα","","0.0844","0.0555","","","0.1564","0.1662","","","","","","0.956","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214166","15.4676","0.0017","13.1962","0.0015","26.497","0.003","90","","98.729","0.002","90","","5345.8","1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H66 Cd2 N4 O19 -","- C39 H35 Cd2 N O15 -","- C156 H140 Cd8 N4 O60 -","4","1","","Liu, Fuling; Zhang, Liangliang; Wang, Rongming; Sun, Jie; Yang, Jie; Chen, Zhen; Wang, Xingpo; Sun, Daofeng","Five MOFs with different topologies based on anthracene functionalized tetracarboxylic acid: syntheses, structures, and properties","CrystEngComm","2014","16","14","2917","","10.1039/c3ce42152j","","","0.71073","MoKα","","0.0551","0.0412","","","0.1128","0.1197","","","","","","1.033","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214167","10.168","0.003","18.035","0.005","27.054","0.008","90","","99.321","0.005","90","","4896","2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H57 Co2 N3 O19 -","- C34 H27 Co2 O14 -","- C136 H108 Co8 O56 -","4","1","","Liu, Fuling; Zhang, Liangliang; Wang, Rongming; Sun, Jie; Yang, Jie; Chen, Zhen; Wang, Xingpo; Sun, Daofeng","Five MOFs with different topologies based on anthracene functionalized tetracarboxylic acid: syntheses, structures, and properties","CrystEngComm","2014","16","14","2917","","10.1039/c3ce42152j","","","0.71073","MoKα","","0.0659","0.0525","","","0.1531","0.1599","","","","","","1.069","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214168","10.107","0.004","18.338","0.007","27.084","0.011","90","","99.285","0.008","90","","4954","3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H56 N2 O20 Zn2 -","- C34 H26 O14 Zn2 -","- C136 H104 O56 Zn8 -","4","1","","Liu, Fuling; Zhang, Liangliang; Wang, Rongming; Sun, Jie; Yang, Jie; Chen, Zhen; Wang, Xingpo; Sun, Daofeng","Five MOFs with different topologies based on anthracene functionalized tetracarboxylic acid: syntheses, structures, and properties","CrystEngComm","2014","16","14","2917","","10.1039/c3ce42152j","","","0.71073","MoKα","","0.0896","0.0492","","","0.1216","0.1326","","","","","","0.86","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214169","8.047","0.002","8.016","0.002","12.733","0.004","90","","95.38","0.004","90","","817.7","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 Ag N3 O4 -","- C6 H6 Ag N3 O4 -","- C24 H24 Ag4 N12 O16 -","4","1","","Zhao, Ya-Qin; Fang, Ming-Xiang; Xu, Zheng-Hu; Wang, Xing-Po; Wang, Su-Na; Han, Lu-Lu; Li, Xiao-Yu; Sun, Di","Construction of a crystalline Ag(i) coordination polymer based on a new ligand generated from unusual in situ aza-Michael addition reaction","CrystEngComm","2014","16","14","3015","","10.1039/c4ce00087k","","","0.71073","MoKα","","0.0285","0.026","","","0.0592","0.0604","","","","","","1.088","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214170","3.9061","0.0001","20.4757","0.0003","10.6097","0.0002","90","","98.436","0.001","90","","839.38","0.03","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H6 N4 S -","- C8 H6 N4 S -","- C32 H24 N16 S4 -","4","1","","Wan, Chong-Qing; Zhang, Ya; Sun, Xin-Zhan; Yan, Hao-Jie","A series of 2-D and 3-D silver(i) coordination polymers constructed from a new angular-shaped di-2-pyrazinylsulfide: role of anions in molecular construction","CrystEngComm","2014","16","14","2959","","10.1039/c3ce42404a","","","0.71073","MoKα","","0.0589","0.0405","","","0.1071","0.1178","","","","","","1.091","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214171","19.181","0.004","11.579","0.003","12.642","0.003","90","","90","","90","","2807.7","1.1","293","2","293","2","","","","","","","","7","I m m a","-I 2b 2","74","","","","- C16 H12 Ag3 Cl3 N8 O12 S2 -","- C16 H12 Ag3 Cl3 N8 O12 S2 -","- C64 H48 Ag12 Cl12 N32 O48 S8 -","4","0.25","","Wan, Chong-Qing; Zhang, Ya; Sun, Xin-Zhan; Yan, Hao-Jie","A series of 2-D and 3-D silver(i) coordination polymers constructed from a new angular-shaped di-2-pyrazinylsulfide: role of anions in molecular construction","CrystEngComm","2014","16","14","2959","","10.1039/c3ce42404a","","","0.71073","MoKα","","0.0676","0.0401","","","0.0929","0.1087","","","","","","1.05","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214172","22.2549","0.0004","9.4868","0.0002","15.7184","0.0003","90","","91.476","0.001","90","","3317.49","0.11","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C19 H12 Ag3 F9 N8 O9 S5 -","- C19 H12 Ag3 F9 N8 O9 S5 -","- C76 H48 Ag12 F36 N32 O36 S20 -","4","0.5","","Wan, Chong-Qing; Zhang, Ya; Sun, Xin-Zhan; Yan, Hao-Jie","A series of 2-D and 3-D silver(i) coordination polymers constructed from a new angular-shaped di-2-pyrazinylsulfide: role of anions in molecular construction","CrystEngComm","2014","16","14","2959","","10.1039/c3ce42404a","","","0.71073","MoKα","","0.0396","0.0356","","","0.0964","0.0992","","","","","","1.063","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214173","11.135","0.005","12.38","0.006","14.607","0.007","84.662","0.012","89.537","0.011","67.261","0.01","1848.2","1.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H16 Ag3 F9 N8 O12 S5 -","- C19 H16 Ag3 F9 N8 O12 S5 -","- C38 H32 Ag6 F18 N16 O24 S10 -","2","1","","Wan, Chong-Qing; Zhang, Ya; Sun, Xin-Zhan; Yan, Hao-Jie","A series of 2-D and 3-D silver(i) coordination polymers constructed from a new angular-shaped di-2-pyrazinylsulfide: role of anions in molecular construction","CrystEngComm","2014","16","14","2959","","10.1039/c3ce42404a","","","0.71073","MoKα","","0.1144","0.0588","","","0.1317","0.1583","","","","","","1.019","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214174","8.9469","0.0002","23.6973","0.0006","7.3859","0.0002","90","","108.4","0.002","90","","1485.88","0.07","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C8 H8 Ag2 N6 O7 S -","- C8 H8 Ag2 N6 O7 S -","- C32 H32 Ag8 N24 O28 S4 -","4","1","","Wan, Chong-Qing; Zhang, Ya; Sun, Xin-Zhan; Yan, Hao-Jie","A series of 2-D and 3-D silver(i) coordination polymers constructed from a new angular-shaped di-2-pyrazinylsulfide: role of anions in molecular construction","CrystEngComm","2014","16","14","2959","","10.1039/c3ce42404a","","","0.71073","MoKα","","0.0325","0.028","","","0.061","0.064","","","","","","1.03","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214175","8.5705","0.0007","15.3195","0.0013","8.431","0.0006","90","","90","","90","","1106.95","0.15","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C8 H6 Ag N5 O2 S -","- C8 H6 Ag N5 O2 S -","- C32 H24 Ag4 N20 O8 S4 -","4","0.5","","Wan, Chong-Qing; Zhang, Ya; Sun, Xin-Zhan; Yan, Hao-Jie","A series of 2-D and 3-D silver(i) coordination polymers constructed from a new angular-shaped di-2-pyrazinylsulfide: role of anions in molecular construction","CrystEngComm","2014","16","14","2959","","10.1039/c3ce42404a","","","0.71073","MoKα","","0.0263","0.0231","","","0.0564","0.0591","","","","","","1.051","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214176","18.4365","0.0017","10.2983","0.0009","15.905","0.003","90","","118.923","0.003","90","","2643.1","0.6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H6 Ag2 N6 O4 S -","- C8 H6 Ag2 N6 O4 S -","- C64 H48 Ag16 N48 O32 S8 -","8","1","","Wan, Chong-Qing; Zhang, Ya; Sun, Xin-Zhan; Yan, Hao-Jie","A series of 2-D and 3-D silver(i) coordination polymers constructed from a new angular-shaped di-2-pyrazinylsulfide: role of anions in molecular construction","CrystEngComm","2014","16","14","2959","","10.1039/c3ce42404a","","","0.71073","MoKα","","0.0332","0.0306","","","0.0695","0.0711","","","","","","1.036","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214177","18.7675","0.0004","22.308","0.0004","13.9336","0.0005","90","","128.147","0.001","90","","4587.6","0.2","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C14 H6 Ag2 F10 N4 O4 S -","- C14 H6 Ag2 F10 N4 O4 S -","- C112 H48 Ag16 F80 N32 O32 S8 -","8","1","","Wan, Chong-Qing; Zhang, Ya; Sun, Xin-Zhan; Yan, Hao-Jie","A series of 2-D and 3-D silver(i) coordination polymers constructed from a new angular-shaped di-2-pyrazinylsulfide: role of anions in molecular construction","CrystEngComm","2014","16","14","2959","","10.1039/c3ce42404a","","","0.71073","MoKα","","0.1198","0.0574","","","0.1534","0.1868","","","","","","1.042","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214178","10.1484","0.0014","21.509","0.003","25.374","0.003","90","","99.561","0.002","90","","5461.7","1.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H26 Gd N3 O13 S2 -","- C21 H18 Gd N3 O13 S2 -","- C168 H144 Gd8 N24 O104 S16 -","8","1","","Zheng, Sheng-Run; Chen, Rui-Ling; Liu, Zi-Meng; Wen, Xi-Ling; Xie, Tao; Fan, Jun; Zhang, Wei-Guang","Construction of terpyridine‒Ln(iii) coordination polymers: structural diversity, visible and NIR luminescence properties and response to nerve-agent mimics","CrystEngComm","2014","16","14","2898","","10.1039/c3ce42091d","","","0.71073","MoKα","","0.0651","0.0487","","","0.1428","0.1587","","","","","","1.039","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214179","20.199","0.004","18.625","0.003","13.918","0.003","90","","117.069","0.002","90","","4662.5","1.6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H15 N3 Nd O9 S2 -","- C22 H13 N3 Nd O9 S2 -","- C176 H104 N24 Nd8 O72 S16 -","8","1","","Zheng, Sheng-Run; Chen, Rui-Ling; Liu, Zi-Meng; Wen, Xi-Ling; Xie, Tao; Fan, Jun; Zhang, Wei-Guang","Construction of terpyridine‒Ln(iii) coordination polymers: structural diversity, visible and NIR luminescence properties and response to nerve-agent mimics","CrystEngComm","2014","16","14","2898","","10.1039/c3ce42091d","","","0.71073","MoKα","","0.1163","0.0554","","","0.1062","0.1211","","","","","","0.998","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214180","20.1864","0.0016","18.5532","0.0015","13.8708","0.0011","90","","117.337","0.001","90","","4614.8","0.6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H15 Eu N3 O9 S2 -","- C22 H13 Eu N3 O9 S2 -","- C176 H104 Eu8 N24 O72 S16 -","8","1","","Zheng, Sheng-Run; Chen, Rui-Ling; Liu, Zi-Meng; Wen, Xi-Ling; Xie, Tao; Fan, Jun; Zhang, Wei-Guang","Construction of terpyridine‒Ln(iii) coordination polymers: structural diversity, visible and NIR luminescence properties and response to nerve-agent mimics","CrystEngComm","2014","16","14","2898","","10.1039/c3ce42091d","","","0.71073","MoKα","","0.0467","0.0353","","","0.101","0.1093","","","","","","1.001","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214181","20.084","0.004","18.534","0.004","13.831","0.004","90","","117.639","0.002","90","","4560.9","1.9","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H15 N3 O9 S2 Tb -","- C22 H15 N3 O9 S2 Tb -","- C176 H120 N24 O72 S16 Tb8 -","8","1","","Zheng, Sheng-Run; Chen, Rui-Ling; Liu, Zi-Meng; Wen, Xi-Ling; Xie, Tao; Fan, Jun; Zhang, Wei-Guang","Construction of terpyridine‒Ln(iii) coordination polymers: structural diversity, visible and NIR luminescence properties and response to nerve-agent mimics","CrystEngComm","2014","16","14","2898","","10.1039/c3ce42091d","","","0.71073","MoKα","","0.1069","0.0555","","","0.1259","0.1529","","","","","","1.008","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214182","20.01","0.003","18.516","0.002","13.7905","0.0018","90","","117.896","0.002","90","","4515.7","1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H14 Er N3 O9 S2 -","- C22 H13 Er N3 O8.5 S2 -","- C176 H104 Er8 N24 O68 S16 -","8","1","","Zheng, Sheng-Run; Chen, Rui-Ling; Liu, Zi-Meng; Wen, Xi-Ling; Xie, Tao; Fan, Jun; Zhang, Wei-Guang","Construction of terpyridine‒Ln(iii) coordination polymers: structural diversity, visible and NIR luminescence properties and response to nerve-agent mimics","CrystEngComm","2014","16","14","2898","","10.1039/c3ce42091d","","","0.71073","MoKα","","0.0961","0.0544","","","0.1156","0.1336","","","","","","1.091","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214183","19.952","0.007","18.5","0.006","13.756","0.005","90","","117.935","0.004","90","","4486","3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H15 N3 O9 S2 Yb -","- C22 H15 N3 O9 S2 Yb -","- C176 H120 N24 O72 S16 Yb8 -","8","1","","Zheng, Sheng-Run; Chen, Rui-Ling; Liu, Zi-Meng; Wen, Xi-Ling; Xie, Tao; Fan, Jun; Zhang, Wei-Guang","Construction of terpyridine‒Ln(iii) coordination polymers: structural diversity, visible and NIR luminescence properties and response to nerve-agent mimics","CrystEngComm","2014","16","14","2898","","10.1039/c3ce42091d","","","0.71073","MoKα","","0.0776","0.0473","","","0.1028","0.1197","","","","","","1.029","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214184","19.858","0.003","18.452","0.002","13.7432","0.0018","90","","118.078","0.002","90","","4443.1","1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H15 Lu N3 O9 S2 -","- C22 H13 Lu N3 O9 S2 -","- C176 H104 Lu8 N24 O72 S16 -","8","1","","Zheng, Sheng-Run; Chen, Rui-Ling; Liu, Zi-Meng; Wen, Xi-Ling; Xie, Tao; Fan, Jun; Zhang, Wei-Guang","Construction of terpyridine‒Ln(iii) coordination polymers: structural diversity, visible and NIR luminescence properties and response to nerve-agent mimics","CrystEngComm","2014","16","14","2898","","10.1039/c3ce42091d","","","0.71073","MoKα","","0.0797","0.0467","","","0.0949","0.1115","","","","","","1.015","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214185","8.9698","0.0006","21.7582","0.0015","13.4973","0.001","90","","92.164","0.001","90","","2632.3","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N3 O13 S2 Yb -","- C22 H23 N3 O13 S2 Yb -","- C88 H92 N12 O52 S8 Yb4 -","4","1","","Zheng, Sheng-Run; Chen, Rui-Ling; Liu, Zi-Meng; Wen, Xi-Ling; Xie, Tao; Fan, Jun; Zhang, Wei-Guang","Construction of terpyridine‒Ln(iii) coordination polymers: structural diversity, visible and NIR luminescence properties and response to nerve-agent mimics","CrystEngComm","2014","16","14","2898","","10.1039/c3ce42091d","","","0.71073","MoKα","","0.0375","0.0302","","","0.0757","0.0792","","","","","","1.036","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214186","8.983","0.002","21.722","0.005","13.532","0.003","90","","92.122","0.003","90","","2638.7","1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 Lu N3 O13 S2 -","- C22 H23 Lu N3 O13 S2 -","- C88 H92 Lu4 N12 O52 S8 -","4","1","","Zheng, Sheng-Run; Chen, Rui-Ling; Liu, Zi-Meng; Wen, Xi-Ling; Xie, Tao; Fan, Jun; Zhang, Wei-Guang","Construction of terpyridine‒Ln(iii) coordination polymers: structural diversity, visible and NIR luminescence properties and response to nerve-agent mimics","CrystEngComm","2014","16","14","2898","","10.1039/c3ce42091d","","","0.71073","MoKα","","0.0878","0.0528","","","0.1211","0.1391","","","","","","0.982","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214187","19.408","0.006","13.692","0.004","23.83","0.007","90","","90.937","0.004","90","","6332","3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C1.2 H1.4 N0.14 O0.72 S0.1 Yb0.05 -","- C1.20482 H0.915663 N0.144578 O0.722892 S0.0963855 Yb0.0481928 -","- C200 H152 N24 O120 S16 Yb8 -","166","20.75","","Zheng, Sheng-Run; Chen, Rui-Ling; Liu, Zi-Meng; Wen, Xi-Ling; Xie, Tao; Fan, Jun; Zhang, Wei-Guang","Construction of terpyridine‒Ln(iii) coordination polymers: structural diversity, visible and NIR luminescence properties and response to nerve-agent mimics","CrystEngComm","2014","16","14","2898","","10.1039/c3ce42091d","","","0.71073","MoKα","","0.0752","0.0473","","","0.1113","0.1245","","","","","","1.094","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214188","19.4274","0.0014","13.6955","0.001","23.855","0.0017","90","","91.004","0.001","90","","6346.1","0.8","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H29 Lu N3 O15 S2 -","- C25 H19 Lu N3 O15 S2 -","- C200 H152 Lu8 N24 O120 S16 -","8","1","","Zheng, Sheng-Run; Chen, Rui-Ling; Liu, Zi-Meng; Wen, Xi-Ling; Xie, Tao; Fan, Jun; Zhang, Wei-Guang","Construction of terpyridine‒Ln(iii) coordination polymers: structural diversity, visible and NIR luminescence properties and response to nerve-agent mimics","CrystEngComm","2014","16","14","2898","","10.1039/c3ce42091d","","","0.71073","MoKα","","0.0557","0.0376","","","0.0919","0.1017","","","","","","1.026","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214189","10.744","0.003","11.964","0.003","12.004","0.006","109.647","0.004","103.175","0.004","109.375","0.003","1266.9","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H19 Dy N3 O10 S2 -","- C25 H19 Dy N3 O10 S2 -","- C50 H38 Dy2 N6 O20 S4 -","2","1","","Zheng, Sheng-Run; Chen, Rui-Ling; Liu, Zi-Meng; Wen, Xi-Ling; Xie, Tao; Fan, Jun; Zhang, Wei-Guang","Construction of terpyridine‒Ln(iii) coordination polymers: structural diversity, visible and NIR luminescence properties and response to nerve-agent mimics","CrystEngComm","2014","16","14","2898","","10.1039/c3ce42091d","","","0.71073","MoKα","","0.0552","0.0459","","","0.1136","0.1222","","","","","","1.009","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214190","10.7213","0.001","11.9418","0.0011","11.9667","0.0011","109.74","0.001","103.138","0.001","109.217","0.001","1259.1","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H19 Er N3 O10 S2 -","- C25 H19 Er N3 O10 S2 -","- C50 H38 Er2 N6 O20 S4 -","2","1","","Zheng, Sheng-Run; Chen, Rui-Ling; Liu, Zi-Meng; Wen, Xi-Ling; Xie, Tao; Fan, Jun; Zhang, Wei-Guang","Construction of terpyridine‒Ln(iii) coordination polymers: structural diversity, visible and NIR luminescence properties and response to nerve-agent mimics","CrystEngComm","2014","16","14","2898","","10.1039/c3ce42091d","","","0.71073","MoKα","","0.0409","0.0346","","","0.0786","0.0824","","","","","","1.049","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214191","11.0387","0.0002","11.0387","0.0002","6.6318","0.0005","90","","90","","90","","808.1","0.06","293","2","293","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C12 H12 B Br Cd N8 -","- C12 H12 B Br Cd N8 -","- C24 H24 B2 Br2 Cd2 N16 -","2","0.25","","Yang, E.; Wang, Lin; Zhang, Jian","A luminescent neutral cadmium(ii)‒boron(iii)‒imidazolate framework with sql net","CrystEngComm","2014","16","14","2889","","10.1039/c3ce42604a","","","0.71073","MoKα","","0.0725","0.0626","","","0.1614","0.1706","","","","","","1.049","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214219","8.2063","0.0005","8.2062","0.0005","9.3823","0.001","90","","90","","90","","631.83","0.09","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C4 H6 Mn O5 -","- C4 H6 Mn O5 -","- C16 H24 Mn4 O20 -","4","1","","Déniz, Mariadel; Hernández-Rodríguez, Irene; Pasán, Jorge; Fabelo, Oscar; Cañadillas-Delgado, Laura; Vallejo, Julia; Julve, Miguel; Lloret, Francesc; Ruiz-Pérez, Catalina","Syntheses, crystal structures and magnetic properties of five new manganese(ii) complexes: influence of the conformation of different alkyl/aryl substituted malonate ligands on the crystal packing","CrystEngComm","2014","16","13","2766","","10.1039/c3ce42086h","","x-ray","0.71073","MoKα","","0.0312","0.0244","","","0.0438","0.0456","","","","","","1.108","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214220","13.5402","0.0004","13.5402","0.0004","17.444","0.0009","90","","90","","90","","3198.1","0.2","293","2","293","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C5 H8 Mn O5 -","- C5 H8 Mn O5 -","- C80 H128 Mn16 O80 -","16","1","","Déniz, Mariadel; Hernández-Rodríguez, Irene; Pasán, Jorge; Fabelo, Oscar; Cañadillas-Delgado, Laura; Vallejo, Julia; Julve, Miguel; Lloret, Francesc; Ruiz-Pérez, Catalina","Syntheses, crystal structures and magnetic properties of five new manganese(ii) complexes: influence of the conformation of different alkyl/aryl substituted malonate ligands on the crystal packing","CrystEngComm","2014","16","13","2766","","10.1039/c3ce42086h","","x-ray","1.54184","CuKα","","0.0271","0.0255","","","0.0658","0.067","","","","","","1.083","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214221","24.711","0.002","6.8871","0.0004","10.9942","0.0006","90","","90","","90","","1871.1","0.2","293","2","293","2","","","","","","","","4","C m c a","-C 2ac 2","64","","","","- C7 H12 Mn O5 -","- C7 H12 Mn O5 -","- C56 H96 Mn8 O40 -","8","","","Déniz, Mariadel; Hernández-Rodríguez, Irene; Pasán, Jorge; Fabelo, Oscar; Cañadillas-Delgado, Laura; Vallejo, Julia; Julve, Miguel; Lloret, Francesc; Ruiz-Pérez, Catalina","Syntheses, crystal structures and magnetic properties of five new manganese(ii) complexes: influence of the conformation of different alkyl/aryl substituted malonate ligands on the crystal packing","CrystEngComm","2014","16","13","2766","","10.1039/c3ce42086h","","x-ray","0.71073","MoKα","","0.0435","0.0349","","","0.0806","0.0867","","","","","","1.091","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214222","7.9692","0.0009","9.1132","0.0008","12.9102","0.0011","90","","102.204","0.007","90","","916.41","0.15","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C7 H12 Mn O5 -","- C7 H12 Mn O5 -","- C28 H48 Mn4 O20 -","4","1","","Déniz, Mariadel; Hernández-Rodríguez, Irene; Pasán, Jorge; Fabelo, Oscar; Cañadillas-Delgado, Laura; Vallejo, Julia; Julve, Miguel; Lloret, Francesc; Ruiz-Pérez, Catalina","Syntheses, crystal structures and magnetic properties of five new manganese(ii) complexes: influence of the conformation of different alkyl/aryl substituted malonate ligands on the crystal packing","CrystEngComm","2014","16","13","2766","","10.1039/c3ce42086h","","x-ray","0.71073","MoKα","","0.0961","0.0473","","","0.0757","0.0867","","","","","","1.019","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214223","9.2037","0.0003","7.9073","0.0002","29.7366","0.0013","90","","90","","90","","2164.12","0.13","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H10 Mn O5 -","- C10 H10 Mn O5 -","- C80 H80 Mn8 O40 -","8","1","","Déniz, Mariadel; Hernández-Rodríguez, Irene; Pasán, Jorge; Fabelo, Oscar; Cañadillas-Delgado, Laura; Vallejo, Julia; Julve, Miguel; Lloret, Francesc; Ruiz-Pérez, Catalina","Syntheses, crystal structures and magnetic properties of five new manganese(ii) complexes: influence of the conformation of different alkyl/aryl substituted malonate ligands on the crystal packing","CrystEngComm","2014","16","13","2766","","10.1039/c3ce42086h","","x-ray","1.54184","CuKα","","0.05","0.0321","","","0.065","0.0718","","","","","","1.014","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214224","22.0703","0.0008","22.0703","0.0008","12.6143","0.0009","90","","90","","90","","6144.4","0.5","293","2","293","2","","","","","","","","4","P 42/n c m :2","-P 4ac 2ac","138","","","","- Ba18 F18 In8 S21 -","- Ba18 F18 In8 S21 -","- Ba72 F72 In32 S84 -","4","0.25","","Luo, Zhong-Zhen; Lin, Chen-Sheng; Zhang, Wei-Long; Zhang, Hao; He, Zhang-Zhen; Cheng, Wen-Dan","Ba18F18In8S21 and Ba9F10In4S10: new kind of mixed anion compounds with the novel low-dimensional structure","CrystEngComm","2014","16","13","2788","","10.1039/c3ce41954a","","","0.71073","MoKα","","0.0474","0.0443","","","0.1426","0.1454","","","","","","1.166","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214225","12.5686","0.0008","19.2822","0.0012","12.5835","0.0009","90","","90","","90","","3049.6","0.3","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba9 F10 In4 S10 -","- Ba9 F10 In4 S10 -","- Ba36 F40 In16 S40 -","4","0.5","","Luo, Zhong-Zhen; Lin, Chen-Sheng; Zhang, Wei-Long; Zhang, Hao; He, Zhang-Zhen; Cheng, Wen-Dan","Ba18F18In8S21 and Ba9F10In4S10: new kind of mixed anion compounds with the novel low-dimensional structure","CrystEngComm","2014","16","13","2788","","10.1039/c3ce41954a","","","0.71073","MoKα","","0.0586","0.0523","","","0.1418","0.1477","","","","","","1.049","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214226","7.6058","0.0006","10.2154","0.0007","12.2851","0.0012","102.799","0.005","97.934","0.005","98.974","0.005","904.52","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H24 N14 O10 Zn5 -","- C36 H24 N14 O10 Zn5 -","- C36 H24 N14 O10 Zn5 -","1","0.5","","Wang, Yan-Ning; Li, Guang-Hua; Yang, Qing-Feng; Yu, Jie-Hui; Xu, Ji-Qing","New Zn2+ coordination polymers with mixed triazolate/tetrazolate and acylhydrazidate as linkers","CrystEngComm","2014","16","13","2692","","10.1039/c3ce42426j","","","0.71073","MoKα","","0.0395","0.0373","","","0.1299","0.131","","","","","","1.183","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214227","13.7823","0.0007","9.7678","0.0007","20.5058","0.0017","90","","96.553","0.004","90","","2742.5","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 N14 O6 Zn3 -","- C20 H18 N14 O6 Zn3 -","- C80 H72 N56 O24 Zn12 -","4","0.5","","Wang, Yan-Ning; Li, Guang-Hua; Yang, Qing-Feng; Yu, Jie-Hui; Xu, Ji-Qing","New Zn2+ coordination polymers with mixed triazolate/tetrazolate and acylhydrazidate as linkers","CrystEngComm","2014","16","13","2692","","10.1039/c3ce42426j","","","0.71073","MoKα","","0.0332","0.0297","","","0.0793","0.0816","","","","","","1.05","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214228","12.354","0.003","12.473","0.003","10.449","0.002","90","","116.92","0.03","90","","1435.6","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 N12 O2 Zn2 -","- C10 H8 N12 O2 Zn2 -","- C40 H32 N48 O8 Zn8 -","4","0.5","","Wang, Yan-Ning; Li, Guang-Hua; Yang, Qing-Feng; Yu, Jie-Hui; Xu, Ji-Qing","New Zn2+ coordination polymers with mixed triazolate/tetrazolate and acylhydrazidate as linkers","CrystEngComm","2014","16","13","2692","","10.1039/c3ce42426j","","","0.71073","MoKα","","0.0227","0.0209","","","0.0534","0.0542","","","","","","1.07","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214229","18.923","0.004","11.121","0.002","15.759","0.003","90","","102.62","0.03","90","","3236.2","1.2","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C22 H18 N16 O10 Zn5 -","- C22 H18 N16 O10 Zn5 -","- C88 H72 N64 O40 Zn20 -","4","0.5","","Wang, Yan-Ning; Li, Guang-Hua; Yang, Qing-Feng; Yu, Jie-Hui; Xu, Ji-Qing","New Zn2+ coordination polymers with mixed triazolate/tetrazolate and acylhydrazidate as linkers","CrystEngComm","2014","16","13","2692","","10.1039/c3ce42426j","","","0.71073","MoKα","","0.0505","0.0431","","","0.107","0.1105","","","","","","1.077","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214230","9.9688","0.0005","12.4158","0.0006","17.4099","0.001","86.1612","0.0015","79.7348","0.0018","80.1653","0.0015","2087.7","0.19","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H36 I4 O4 S4 -","- C36 H36 I4 O4 S4 -","- C72 H72 I8 O8 S8 -","2","1","","Yamada, Manabu; Kanazawa, Ryo; Hamada, Fumio","Halogen‒halogen interactions and halogen bonding in thiacalixarene systems","CrystEngComm","2014","16","13","2605","","10.1039/c3ce42535e","","","0.71075","MoKα","","","0.0287","","","","0.0788","","","","","","1.097","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214231","18.4313","0.0009","14.2656","0.0005","17.855","0.0006","90","","92.4043","0.001","90","","4690.5","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H48 I4 O5 S4 -","- C42 H48 I4 O5 S4 -","- C168 H192 I16 O20 S16 -","4","1","","Yamada, Manabu; Kanazawa, Ryo; Hamada, Fumio","Halogen‒halogen interactions and halogen bonding in thiacalixarene systems","CrystEngComm","2014","16","13","2605","","10.1039/c3ce42535e","","","0.71075","MoKα","","","0.0351","","","","0.086","","","","","","1.036","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214232","6.4633","0.0015","17.072","0.004","23.816","0.006","90","","90.602","0.003","90","","2627.7","1.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 Eu N3 O9 -","- C23 H28 Eu N3 O9 -","- C92 H112 Eu4 N12 O36 -","4","1","","Liu, Xiaolan; Wang, Xin; Gao, Ting; Xu, Yan; Shen, Xuan; Zhu, Dunru","Three 3D lanthanide‒organic frameworks with sra topology: syntheses, structures, luminescence and magnetic properties","CrystEngComm","2014","16","13","2779","","10.1039/c3ce42553c","","","0.71073","MoKα","","0.0721","0.052","","","0.1269","0.1345","","","","","","1.079","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214233","6.4399","0.0007","17.023","0.002","23.833","0.003","90","","90.792","0.002","90","","2612.5","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 Gd N3 O9 -","- C23 H28 Gd N3 O9 -","- C92 H112 Gd4 N12 O36 -","4","1","","Liu, Xiaolan; Wang, Xin; Gao, Ting; Xu, Yan; Shen, Xuan; Zhu, Dunru","Three 3D lanthanide‒organic frameworks with sra topology: syntheses, structures, luminescence and magnetic properties","CrystEngComm","2014","16","13","2779","","10.1039/c3ce42553c","","","0.71073","MoKα","","0.0925","0.0564","","","0.1395","0.1526","","","","","","1.012","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214234","6.3462","0.0011","16.58","0.003","24.018","0.004","90","","90.683","0.002","90","","2527","0.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 Dy N3 O9 -","- C23 H28 Dy N3 O9 -","- C92 H112 Dy4 N12 O36 -","4","1","","Liu, Xiaolan; Wang, Xin; Gao, Ting; Xu, Yan; Shen, Xuan; Zhu, Dunru","Three 3D lanthanide‒organic frameworks with sra topology: syntheses, structures, luminescence and magnetic properties","CrystEngComm","2014","16","13","2779","","10.1039/c3ce42553c","","","0.71073","MoKα","","0.0714","0.0599","","","0.1512","0.1566","","","","","","1.094","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214235","11.2908","0.0003","12.2293","0.0003","14.9933","0.0004","90","","91.389","0.002","90","","2069.65","0.09","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 N2 O4 -","- C24 H26 N2 O4 -","- C96 H104 N8 O16 -","4","1","","Prado, Livia Deris; Rocha, Helvécio Vinícius Antunes; Resende, Jackson Antônio Lamounier Camargos; Ferreira, Glaucio Braga; de Figuereido Teixeira, Ana Maria Rangel","An insight into carvedilol solid forms: effect of supramolecular interactions on the dissolution profiles","CrystEngComm","2014","16","15","3168","","10.1039/c3ce42403k","","x-ray","0.71073","MoKα","","0.0502","0.0416","","","0.1022","0.1086","","","","","","1.052","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214236","13.477","0.003","16.515","0.003","19.139","0.004","90","","94.16","0.03","90","","4248.6","1.5","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H54 N4 O9 -","- C48 H54 N4 O9 -","- C192 H216 N16 O36 -","4","1","","Prado, Livia Deris; Rocha, Helvécio Vinícius Antunes; Resende, Jackson Antônio Lamounier Camargos; Ferreira, Glaucio Braga; de Figuereido Teixeira, Ana Maria Rangel","An insight into carvedilol solid forms: effect of supramolecular interactions on the dissolution profiles","CrystEngComm","2014","16","15","3168","","10.1039/c3ce42403k","","","0.71073","MoKα","","0.05","0.0399","","","0.1019","0.1066","","","","","","1.048","","","","has coordinates,has disorder","180473","2020-10-21","18:00:00",""
"7214237","37.1672","0.0011","3.83724","0.0001","30.9227","0.0008","90","","130.277","0.0013","90","","3364.66","0.17","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H14 N2 O2 S2 -","- C21 H14 N2 O2 S2 -","- C168 H112 N16 O16 S16 -","8","1","","Sakai, Ken-ichi; Kawamura, Hiroshi; Kobayashi, Noriyuki; Ishikawa, Takaaki; Ikeda, Chiori; Kikuchi, Takemitsu; Akutagawa, Tomoyuki","Highly efficient solid-state red fluorophores using ESIPT: crystal packing and fluorescence properties of alkoxy-substituted dibenzothiazolylphenols","CrystEngComm","2014","16","15","3180","","10.1039/c3ce42109k","","","1.54187","CuKα","","","0.107","","","","0.2371","","","","","","1.039","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214238","11.7301","0.0002","22.2883","0.0004","7.47946","0.0001","90","","100.438","","90","","1923.1","0.05","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 N2 O2 S2 -","- C23 H18 N2 O2 S2 -","- C92 H72 N8 O8 S8 -","4","1","","Sakai, Ken-ichi; Kawamura, Hiroshi; Kobayashi, Noriyuki; Ishikawa, Takaaki; Ikeda, Chiori; Kikuchi, Takemitsu; Akutagawa, Tomoyuki","Highly efficient solid-state red fluorophores using ESIPT: crystal packing and fluorescence properties of alkoxy-substituted dibenzothiazolylphenols","CrystEngComm","2014","16","15","3180","","10.1039/c3ce42109k","","","1.54187","CuKα","","","0.0731","","","","0.1563","","","","","","1.094","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214239","29.401","0.003","13.3519","0.0011","15.8465","0.0013","90","","90.878","0.002","90","","6220","1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H44 Cd3 N8 O12 -","- C46 H44 Cd3 N8 O12 -","- C184 H176 Cd12 N32 O48 -","4","0.5","","Shi, Jing-Tao; Yue, Ke-Fen; Liu, Bo; Zhou, Chun-sheng; Liu, Yong-Liang; Fang, Zhi-Guo; Wang, Yao-Yu","Two porous metal‒organic frameworks (MOFs) based on mixed ligands: synthesis, structure and selective gas adsorption","CrystEngComm","2014","16","15","3097","","10.1039/c3ce41557k","","","0.71073","MoKα","","0.0795","0.0642","","","0.1888","0.2003","","","","","","1.048","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214240","13.9345","0.0014","26.096","0.003","19.2265","0.0019","90","","90","","90","","6991.4","1.3","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C53 H40 Co3 N4 O12 -","- C53 H40 Co3 N4 O12 -","- C212 H160 Co12 N16 O48 -","4","0.5","","Shi, Jing-Tao; Yue, Ke-Fen; Liu, Bo; Zhou, Chun-sheng; Liu, Yong-Liang; Fang, Zhi-Guo; Wang, Yao-Yu","Two porous metal‒organic frameworks (MOFs) based on mixed ligands: synthesis, structure and selective gas adsorption","CrystEngComm","2014","16","15","3097","","10.1039/c3ce41557k","","","0.71073","MoKα","","0.118","0.0752","","","0.216","0.2365","","","","","","0.962","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214241","20.897","0.007","16.915","0.003","21.778","0.005","90","","106.437","0.011","90","","7383","3","108","2","108","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C80.64 H69.28 Au2 Cl5.28 N2 O8 P4 -","- C80.642 H69.284 Au2 Cl5.284 N2 O8 P4 -","- C322.568 H277.136 Au8 Cl21.136 N8 O32 P16 -","4","0.5","","Jobbágy, Csaba; Molnár, Miklós; Baranyai, Péter; Hamza, Andrea; Pálinkás, Gábor; Deák, Andrea","A stimuli-responsive double-stranded digold(i) helicate","CrystEngComm","2014","16","15","3192","","10.1039/c3ce42474j","","","0.71073","MoKα","","0.043","0.0384","","","0.097","0.0998","","","","","","1.036","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214242","28.247","0.005","18.297","0.004","18.992","0.004","90","","121.566","0.008","90","","8363","3","113","2","113","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C82.69 H73.38 Au2 Cl9.38 N2 O8 P4 -","- C82.692 H73.384 Au2 Cl9.384 N2 O8 P4 -","- C330.768 H293.536 Au8 Cl37.536 N8 O32 P16 -","4","0.5","","Jobbágy, Csaba; Molnár, Miklós; Baranyai, Péter; Hamza, Andrea; Pálinkás, Gábor; Deák, Andrea","A stimuli-responsive double-stranded digold(i) helicate","CrystEngComm","2014","16","15","3192","","10.1039/c3ce42474j","","","0.71073","MoKα","","0.0702","0.0403","","","0.0617","0.079","","","","","","0.718","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214243","11.7728","0.0001","33.8466","0.0003","18.4668","0.0002","90","","96.231","0.001","90","","7314.98","0.12","93","2","93","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C79.9 H68.97 Au2 Cl3.8 N2 O8.59 P4 -","- C79.9 H68.974 Au2 Cl3.8 N2 O8.587 P4 -","- C319.6 H275.896 Au8 Cl15.2 N8 O34.348 P16 -","4","1","","Jobbágy, Csaba; Molnár, Miklós; Baranyai, Péter; Hamza, Andrea; Pálinkás, Gábor; Deák, Andrea","A stimuli-responsive double-stranded digold(i) helicate","CrystEngComm","2014","16","15","3192","","10.1039/c3ce42474j","","","0.71073","MoKα","","0.0433","0.0375","","","0.0941","0.0971","","","","","","1.081","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214244","21.374","0.005","16.82","0.005","22.25","0.005","90","","107.595","0.005","90","","7625","3","295","2","295","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C80.26 H68.53 Au2 Cl4.53 N2 O8 P4 -","- C80.264 H68.528 Au2 Cl4.528 N2 O8 P4 -","- C321.056 H274.112 Au8 Cl18.112 N8 O32 P16 -","4","0.5","","Jobbágy, Csaba; Molnár, Miklós; Baranyai, Péter; Hamza, Andrea; Pálinkás, Gábor; Deák, Andrea","A stimuli-responsive double-stranded digold(i) helicate","CrystEngComm","2014","16","15","3192","","10.1039/c3ce42474j","","","0.71073","MoKα","","0.0539","0.0393","","","0.0603","0.0687","","","","","","0.872","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214245","23.423","0.004","11.2363","0.0019","22.563","0.004","90","","90","","90","","5938.3","1.8","298","2","298","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C27 H29.5 N2 Ni O9.75 -","- C27 H28.5 N2 Ni O9.75 -","- C216 H228 N16 Ni8 O78 -","8","1","","Liu, Jian-Qiang; Wu, Jian; Wang, Yao-Yu; Lin, Jian-Tao; Sakiyama, Hiroshi","Different interpenetrated coordination polymers based on flexible dicarboxylate ligands: topological diversity and magnetism","CrystEngComm","2014","16","15","3103","","10.1039/c3ce42338g","","","0.71073","MoKα","","0.1228","0.0589","","","0.1516","0.1673","","","","","","1.046","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214246","14.079","0.005","14.669","0.005","19.559","0.006","108.878","0.005","92.031","0.007","116.314","0.005","3349","2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H56.58 Co2 N12 O14.29 S3 -","- C70 H52 Co2 N12 O14.29 S3 -","- C140 H104 Co4 N24 O28.58 S6 -","2","1","","Liu, Jian-Qiang; Wu, Jian; Wang, Yao-Yu; Lin, Jian-Tao; Sakiyama, Hiroshi","Different interpenetrated coordination polymers based on flexible dicarboxylate ligands: topological diversity and magnetism","CrystEngComm","2014","16","15","3103","","10.1039/c3ce42338g","","","0.71073","MoKα","","0.2876","0.0594","","","0.0645","0.0823","","","","","","0.64","","","","has coordinates,has disorder","180473","2020-10-21","18:00:00",""
"7214247","9.6092","0.0009","10.695","0.0011","13.436","0.0014","70.763","0.002","87.595","0.002","72.381","0.002","1240","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H26 Co N2 O8 -","- C27 H26 Co N2 O8 -","- C54 H52 Co2 N4 O16 -","2","1","","Liu, Jian-Qiang; Wu, Jian; Wang, Yao-Yu; Lin, Jian-Tao; Sakiyama, Hiroshi","Different interpenetrated coordination polymers based on flexible dicarboxylate ligands: topological diversity and magnetism","CrystEngComm","2014","16","15","3103","","10.1039/c3ce42338g","","","0.71073","MoKα","","0.0702","0.0447","","","0.1104","0.1165","","","","","","0.956","","","","has coordinates,has disorder","180473","2020-10-21","18:00:00",""
"7214248","13.0721","0.0008","8.1857","0.0004","21.867","0.003","90","","107.835","0.008","90","","2227.4","0.4","119.6","0.9","119.6","0.9","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H44 Co2 N2 O12 -","- C48 H44 Co2 N2 O12 -","- C96 H88 Co4 N4 O24 -","2","0.5","","Liu, Jian-Qiang; Wu, Jian; Wang, Yao-Yu; Lin, Jian-Tao; Sakiyama, Hiroshi","Different interpenetrated coordination polymers based on flexible dicarboxylate ligands: topological diversity and magnetism","CrystEngComm","2014","16","15","3103","","10.1039/c3ce42338g","","","0.71073","MoKα","","0.1537","0.0747","","","0.1255","0.1658","","","","","","1.032","","","","has coordinates,has disorder","180473","2020-10-21","18:00:00",""
"7214249","13.5187","0.0007","7.2436","0.0004","26.014","0.003","90","","90","","90","","2547.4","0.4","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H10 N2 O4 -","- C15 H10 N2 O4 -","- C120 H80 N16 O32 -","8","1","","Wu, Jing-Yun; Yuan, Pin-Ting; Hsiao, Cheng-Chu","Positional isomerism of unsymmetrical semirigid ligands toward the construction of discrete and infinite coordination architectures of zinc(ii) and cadmium(ii) complexes","CrystEngComm","2014","16","15","3128","","10.1039/c3ce42398k","","","0.71073","MoKα","","0.1201","0.0779","","","0.1443","0.1613","","","","","","1.091","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214250","22.3598","0.0007","15.1429","0.0004","23.0395","0.0007","90","","110.657","0.004","90","","7299.5","0.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32.5 H24.5 N4 O9.25 Zn -","- C32 H22 N4 O8.5 Zn -","- C256 H176 N32 O68 Zn8 -","8","1","","Wu, Jing-Yun; Yuan, Pin-Ting; Hsiao, Cheng-Chu","Positional isomerism of unsymmetrical semirigid ligands toward the construction of discrete and infinite coordination architectures of zinc(ii) and cadmium(ii) complexes","CrystEngComm","2014","16","15","3128","","10.1039/c3ce42398k","","","0.71073","MoKα","","0.0744","0.0578","","","0.1737","0.1867","","","","","","1.072","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214251","9.151","0.0003","12.4798","0.0004","12.9559","0.0003","107.884","0.002","90.393","0.002","95.349","0.002","1400.99","0.07","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H38 Cl2 N8 O16 Zn2 -","- C60 H38 Cl2 N8 O16 Zn2 -","- C60 H38 Cl2 N8 O16 Zn2 -","1","0.5","","Wu, Jing-Yun; Yuan, Pin-Ting; Hsiao, Cheng-Chu","Positional isomerism of unsymmetrical semirigid ligands toward the construction of discrete and infinite coordination architectures of zinc(ii) and cadmium(ii) complexes","CrystEngComm","2014","16","15","3128","","10.1039/c3ce42398k","","","0.71073","MoKα","","0.0673","0.0426","","","0.1003","0.1332","","","","","","1.074","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214252","19.2567","0.0015","18.6939","0.0015","7.902","0.0006","90","","98.917","0.003","90","","2810.2","0.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H19 N4 O8.5 Zn -","- C30 H18 N4 O8.5 Zn -","- C120 H72 N16 O34 Zn4 -","4","0.5","","Wu, Jing-Yun; Yuan, Pin-Ting; Hsiao, Cheng-Chu","Positional isomerism of unsymmetrical semirigid ligands toward the construction of discrete and infinite coordination architectures of zinc(ii) and cadmium(ii) complexes","CrystEngComm","2014","16","15","3128","","10.1039/c3ce42398k","","","0.71073","MoKα","","0.0523","0.046","","","0.1316","0.1369","","","","","","1.186","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214253","15.146","0.003","13.695","0.003","6.9265","0.0014","90","","91.28","0.03","90","","1436.4","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H9 Cd Cl N2 O4 -","- C15 H9 Cd Cl N2 O4 -","- C60 H36 Cd4 Cl4 N8 O16 -","4","1","","Wu, Jing-Yun; Yuan, Pin-Ting; Hsiao, Cheng-Chu","Positional isomerism of unsymmetrical semirigid ligands toward the construction of discrete and infinite coordination architectures of zinc(ii) and cadmium(ii) complexes","CrystEngComm","2014","16","15","3128","","10.1039/c3ce42398k","","","0.71073","MoKα","","0.076","0.0621","","","0.1969","0.2167","","","","","","1.182","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214254","6.7987","0.0008","24.5045","0.0019","8.2871","0.001","90","","91.514","0.011","90","","1380.1","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 Cd N4 O10 -","- C30 H22 Cd N4 O10 -","- C60 H44 Cd2 N8 O20 -","2","0.5","","Wu, Jing-Yun; Yuan, Pin-Ting; Hsiao, Cheng-Chu","Positional isomerism of unsymmetrical semirigid ligands toward the construction of discrete and infinite coordination architectures of zinc(ii) and cadmium(ii) complexes","CrystEngComm","2014","16","15","3128","","10.1039/c3ce42398k","","","0.71073","MoKα","","0.0734","0.0595","","","0.0942","0.098","","","","","","1.33","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214255","3.694","0.004","8.184","0.009","23.62","0.03","90","","94.49","","90","","711.9","1.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Cd Cl2 N10 O0 -","- C10 H10 Cd Cl2 N10 -","- C20 H20 Cd2 Cl4 N20 -","2","0.5","","Song, Yuna; Yin, Xinbo; Tu, Binbin; Pang, Qingqing; Li, Haiwei; Ren, Xiaoqian; Wang, Bo; Li, Qiaowei","Metal‒organic frameworks constructed from mixed infinite inorganic units and adenine","CrystEngComm","2014","16","15","3082","","10.1039/c3ce42556h","","","0.71073","MoKα","","0.2346","0.1511","","","0.4242","0.4467","","","","","","1.057","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214256","9.156","0.0012","12.1449","0.0016","14.1202","0.0019","90","","95.271","0.002","90","","1563.5","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 Cd3 N10 O10 -","- C22 H32 Cd3 N10 O10 -","- C44 H64 Cd6 N20 O20 -","2","0.5","","Song, Yuna; Yin, Xinbo; Tu, Binbin; Pang, Qingqing; Li, Haiwei; Ren, Xiaoqian; Wang, Bo; Li, Qiaowei","Metal‒organic frameworks constructed from mixed infinite inorganic units and adenine","CrystEngComm","2014","16","15","3082","","10.1039/c3ce42556h","","","0.71073","MoKα","","0.0467","0.0294","","","0.0726","0.0817","","","","","","0.487","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214257","14.857","0.005","23.615","0.009","3.7317","0.0013","90","","90","","90","","1309.3","0.8","296","2","296","2","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- C10 H8 Cd4 Cl7 N10 -","- C10 H8 Cd4 Cl7 N10 -","- C20 H16 Cd8 Cl14 N20 -","2","0.25","","Song, Yuna; Yin, Xinbo; Tu, Binbin; Pang, Qingqing; Li, Haiwei; Ren, Xiaoqian; Wang, Bo; Li, Qiaowei","Metal‒organic frameworks constructed from mixed infinite inorganic units and adenine","CrystEngComm","2014","16","15","3082","","10.1039/c3ce42556h","","","0.71073","MoKα","","0.1518","0.0918","","","0.2457","0.2693","","","","","","0.854","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214258","13.4907","0.0014","13.505","0.0014","13.7924","0.0014","102.084","0.002","97.561","0.002","116.001","0.002","2136","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C90 H76 N20 Ni3 O18 -","- C90 H76 N20 Ni3 O18 -","- C90 H76 N20 Ni3 O18 -","1","0.5","","Zhang, Xiutang; Fan, Liming; Zhang, Wei; Fan, Weiliu; Sun, Liming; Zhao, Xian","Syntheses, structures, and magnetic properties of five coordination polymers constructed from biphenyl-3,4′,5-tricarboxylic acid and (bis)imidazole linkers","CrystEngComm","2014","16","15","3203","","10.1039/c3ce42565g","","","0.71073","MoKα","","0.0582","0.0464","","","0.1283","0.1381","","","","","","1.003","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214259","12.337","0.002","11.051","0.002","21.819","0.004","90","","100.761","0.004","90","","2922.4","0.9","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H24 Co2 N4 O8 -","- C29 H24 Co2 N4 O8 -","- C116 H96 Co8 N16 O32 -","4","1","","Zhang, Xiutang; Fan, Liming; Zhang, Wei; Fan, Weiliu; Sun, Liming; Zhao, Xian","Syntheses, structures, and magnetic properties of five coordination polymers constructed from biphenyl-3,4′,5-tricarboxylic acid and (bis)imidazole linkers","CrystEngComm","2014","16","15","3203","","10.1039/c3ce42565g","","","0.71073","MoKα","","0.0811","0.047","","","0.0971","0.1138","","","","","","1.001","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214260","8.9151","0.001","12.3303","0.0013","13.3052","0.0014","108.564","0.002","107.76","0.002","99.002","0.002","1267.3","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H24 N4 O7 Zn -","- C29 H22 N4 O7 Zn -","- C58 H44 N8 O14 Zn2 -","2","1","","Zhang, Xiutang; Fan, Liming; Zhang, Wei; Fan, Weiliu; Sun, Liming; Zhao, Xian","Syntheses, structures, and magnetic properties of five coordination polymers constructed from biphenyl-3,4′,5-tricarboxylic acid and (bis)imidazole linkers","CrystEngComm","2014","16","15","3203","","10.1039/c3ce42565g","","","0.71073","MoKα","","0.0574","0.045","","","0.1228","0.1378","","","","","","0.997","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214261","11.7332","0.0004","15.2259","0.0006","16.1433","0.0006","90","","102.497","0.001","90","","2815.65","0.18","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C67 H49 Co2 N8 O14 -","- C67 H49 Co2 N8 O14 -","- C134 H98 Co4 N16 O28 -","2","1","","Zhang, Xiutang; Fan, Liming; Zhang, Wei; Fan, Weiliu; Sun, Liming; Zhao, Xian","Syntheses, structures, and magnetic properties of five coordination polymers constructed from biphenyl-3,4′,5-tricarboxylic acid and (bis)imidazole linkers","CrystEngComm","2014","16","15","3203","","10.1039/c3ce42565g","","","0.71073","MoKα","","0.0519","0.0452","","","0.1183","0.1237","","","","","","1.002","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214262","12.15","0.003","13.422","0.003","17.825","0.004","77.205","0.004","70.985","0.004","83.344","0.004","2677","1.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C120 H88 Mn5 N20 O22 S2 -","- C120 H88 Mn5 N20 O22 S2 -","- C120 H88 Mn5 N20 O22 S2 -","1","0.5","","Zhang, Xiutang; Fan, Liming; Zhang, Wei; Fan, Weiliu; Sun, Liming; Zhao, Xian","Syntheses, structures, and magnetic properties of five coordination polymers constructed from biphenyl-3,4′,5-tricarboxylic acid and (bis)imidazole linkers","CrystEngComm","2014","16","15","3203","","10.1039/c3ce42565g","","","0.71073","MoKα","","0.1185","0.069","","","0.1102","0.1581","","","","","","1","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214263","38.1168","0.0009","38.1168","0.0009","11.6852","0.0003","90","","90","","120","","14702.8","0.6","123","2","123","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C171 H154 Br12 Cl12 N18 O13 Zn6 -","- C171 H137.94 Br12 Cl12.06 N18 O12.96 Zn6 -","- C513 H413.82 Br36 Cl36.18 N54 O38.88 Zn18 -","3","0.166667","","Constable, Edwin C.; Housecroft, Catherine E.; Vujovic, Srboljub; Zampese, Jennifer A.","Metallohexacycles containing 4′-aryl-4,2′:6′,4′′-terpyridines: conformational preferences and fullerene capture","CrystEngComm","2014","16","3","328","","10.1039/c3ce42012d","","","0.71073","MoKα","","0.0454","0.0333","","","0.0902","0.102","","","","","","1.115","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7214264","38.975","0.002","38.975","0.002","11.4827","0.0008","90","","90","","120","","15105.9","1.5","123","2","123","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C189 H159 Br12 Cl9 N18 O15 Zn6 -","- C189 H129 Br12 Cl9 N18 O15 Zn6 -","- C567 H387 Br36 Cl27 N54 O45 Zn18 -","3","0.166667","","Constable, Edwin C.; Housecroft, Catherine E.; Vujovic, Srboljub; Zampese, Jennifer A.","Metallohexacycles containing 4′-aryl-4,2′:6′,4′′-terpyridines: conformational preferences and fullerene capture","CrystEngComm","2014","16","3","328","","10.1039/c3ce42012d","","","0.71073","MoKα","","0.0703","0.0425","","","0.1267","0.1717","","","","","","1.111","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7214265","38.4322","0.0016","38.4322","0.0016","22.545","0.001","90","","90","","120","","28838","2","123","2","123","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C438 H308 Cl24 N36 O22 Zn12 -","- C437.94 H275.76 Cl24 N36 O21.9 Zn12 -","- C1313.82 H827.28 Cl72 N108 O65.7 Zn36 -","3","0.166667","","Constable, Edwin C.; Housecroft, Catherine E.; Vujovic, Srboljub; Zampese, Jennifer A.","Metallohexacycles containing 4′-aryl-4,2′:6′,4′′-terpyridines: conformational preferences and fullerene capture","CrystEngComm","2014","16","3","328","","10.1039/c3ce42012d","","","0.71073","MoKα","","0.086","0.0638","","","0.1735","0.2072","","","","","","1.115","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7214266","37.998","0.004","37.998","0.004","11.3178","0.0011","90","","90","","120","","14152","3","123","2","123","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C168 H111 Cl21 F30 N18 O9 Zn6 -","- C168 H99 Cl21 F30 N18 O9 Zn6 -","- C504 H297 Cl63 F90 N54 O27 Zn18 -","3","0.166667","","Constable, Edwin C.; Housecroft, Catherine E.; Vujovic, Srboljub; Zampese, Jennifer A.","Metallohexacycles containing 4′-aryl-4,2′:6′,4′′-terpyridines: conformational preferences and fullerene capture","CrystEngComm","2014","16","3","328","","10.1039/c3ce42012d","","","1.54178","CuKα","","0.0626","0.0613","","","0.181","0.1826","","","","","","1.051","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7214267","9.2722","0.0004","35.4234","0.0015","30.2123","0.0012","90","","95.305","0.002","90","","9880.8","0.7","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C162 H84 Cl12 F30 N18 Zn6 -","- C162 H84 Cl12 F30 N18 Zn6 -","- C324 H168 Cl24 F60 N36 Zn12 -","2","0.5","","Constable, Edwin C.; Housecroft, Catherine E.; Vujovic, Srboljub; Zampese, Jennifer A.","Metallohexacycles containing 4′-aryl-4,2′:6′,4′′-terpyridines: conformational preferences and fullerene capture","CrystEngComm","2014","16","3","328","","10.1039/c3ce42012d","","","1.54178","CuKα","","0.124","0.1069","","","0.3013","0.3169","","","","","","1.089","","","","has coordinates,has disorder","180473","2020-10-21","18:00:00",""
"7214268","38.394","0.004","38.394","0.004","11.5576","0.0015","90","","90","","120","","14755","3","123","2","123","2","","","","","","","","6","R -3","-R 3","148","","","","- C162 H84 Br12 F30 N18 Zn6 -","- C162 H84 Br12 F30 N18 Zn6 -","- C486 H252 Br36 F90 N54 Zn18 -","3","","","Constable, Edwin C.; Housecroft, Catherine E.; Vujovic, Srboljub; Zampese, Jennifer A.","Metallohexacycles containing 4′-aryl-4,2′:6′,4′′-terpyridines: conformational preferences and fullerene capture","CrystEngComm","2014","16","3","328","","10.1039/c3ce42012d","","","1.54178","CuKα","","0.1008","0.0769","","","0.1903","0.2024","","","","","","1.116","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214269","8.2122","0.0007","9.0548","0.0005","11.4228","0.0007","93.672","0.005","110.255","0.007","108.406","0.006","741.63","0.1","148","2","148","2","","","","","","","","3","P -1","-P 1","2","MBDA-Form-I","4,4'-Methylene-bis(2,6-dimethylaniline)","","- C17 H22 N2 -","- C17 H22 N2 -","- C34 H44 N4 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Steric guided anomalous thermal expansion in a dimorphic organic system","CrystEngComm","2014","16","12","2340","","10.1039/c3ce41869c","","","0.7107","MoKα","","0.0568","0.0435","","","0.1032","0.1123","","","","","","1.027","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214270","8.2145","0.0007","9.0601","0.0006","11.4225","0.0008","93.69","0.006","110.215","0.007","108.361","0.007","742.68","0.11","178","2","178","2","","","","","","","","3","P -1","-P 1","2","MBDA-Form-I","4,4'-Methylene-bis(2,6-dimethylaniline)","","- C17 H22 N2 -","- C17 H22 N2 -","- C34 H44 N4 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Steric guided anomalous thermal expansion in a dimorphic organic system","CrystEngComm","2014","16","12","2340","","10.1039/c3ce41869c","","","0.7107","MoKα","","0.0615","0.045","","","0.1076","0.1174","","","","","","1.052","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214271","8.2268","0.0007","9.0703","0.0006","11.4426","0.0008","93.691","0.005","110.218","0.007","108.335","0.006","746.06","0.11","208","2","208","2","","","","","","","","3","P -1","-P 1","2","MBDA-Form-I","4,4'-Methylene-bis(2,6-dimethylaniline)","","- C17 H22 N2 -","- C17 H22 N2 -","- C34 H44 N4 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Steric guided anomalous thermal expansion in a dimorphic organic system","CrystEngComm","2014","16","12","2340","","10.1039/c3ce41869c","","","0.7107","MoKα","","0.0645","0.0461","","","0.1105","0.1221","","","","","","1.032","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214272","8.2384","0.0008","9.095","0.0006","11.46","0.0008","93.7","0.006","110.161","0.008","108.267","0.007","750.96","0.12","238","2","238","2","","","","","","","","3","P -1","-P 1","2","MBDA-Form-I","4,4'-Methylene-bis(2,6-dimethylaniline)","","- C17 H22 N2 -","- C17 H22 N2 -","- C34 H44 N4 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Steric guided anomalous thermal expansion in a dimorphic organic system","CrystEngComm","2014","16","12","2340","","10.1039/c3ce41869c","","","0.7107","MoKα","","0.0709","0.0483","","","0.1131","0.1282","","","","","","1.023","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214273","8.2565","0.0008","9.1147","0.0006","11.4695","0.0008","93.722","0.005","110.153","0.008","108.221","0.007","755.1","0.12","268","2","268","2","","","","","","","","3","P -1","-P 1","2","MBDA-Form-I","4,4'-Methylene-bis(2,6-dimethylaniline)","","- C17 H22 N2 -","- C17 H22 N2 -","- C34 H44 N4 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Steric guided anomalous thermal expansion in a dimorphic organic system","CrystEngComm","2014","16","12","2340","","10.1039/c3ce41869c","","","0.7107","MoKα","","0.0746","0.0488","","","0.1156","0.1322","","","","","","1.031","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214274","8.2504","0.0009","9.1159","0.0007","11.4622","0.0009","93.8","0.007","110.087","0.009","108.151","0.009","754.71","0.14","298","2","298","2","","","","","","","","3","P -1","-P 1","2","MBDA-Form-I","4,4'-Methylene-bis(2,6-dimethylaniline)","","- C17 H22 N2 -","- C17 H22 N2 -","- C34 H44 N4 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Steric guided anomalous thermal expansion in a dimorphic organic system","CrystEngComm","2014","16","12","2340","","10.1039/c3ce41869c","","","0.7107","MoKα","","0.0799","0.0516","","","0.1228","0.142","","","","","","1.042","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214275","17.967","0.0012","7.9756","0.0006","14.0251","0.0008","90","","133.571","0.004","90","","1456.12","0.19","148","2","148","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","MBDA-Form-II","4,4'-Methylene-bis(2,6-dimethylaniline)","","- C17 H22 N2 -","- C17 H22 N2 -","- C68 H88 N8 -","4","0.5","","Bhattacharya, Suman; Saha, Binoy K.","Steric guided anomalous thermal expansion in a dimorphic organic system","CrystEngComm","2014","16","12","2340","","10.1039/c3ce41869c","","","0.71073","MoKα","","0.0616","0.0426","","","0.1009","0.1115","","","","","","1.041","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214276","17.9037","0.0014","8.0121","0.0008","14.0696","0.0009","90","","133.44","0.004","90","","1465.4","0.2","178","2","178","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","MBDA-Form-II","4,4'-Methylene-bis(2,6-dimethylaniline)","","- C17 H22 N2 -","- C17 H22 N2 -","- C68 H88 N8 -","4","0.5","","Bhattacharya, Suman; Saha, Binoy K.","Steric guided anomalous thermal expansion in a dimorphic organic system","CrystEngComm","2014","16","12","2340","","10.1039/c3ce41869c","","","0.71073","MoKα","","0.0755","0.0497","","","0.1302","0.1451","","","","","","1.051","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214277","17.8536","0.0016","8.07","0.0006","14.1329","0.0011","90","","133.271","0.005","90","","1482.6","0.2","208","2","208","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","MBDA-Form-II","4,4'-Methylene-bis(2,6-dimethylaniline)","","- C17 H22 N2 -","- C17 H22 N2 -","- C68 H88 N8 -","4","0.5","","Bhattacharya, Suman; Saha, Binoy K.","Steric guided anomalous thermal expansion in a dimorphic organic system","CrystEngComm","2014","16","12","2340","","10.1039/c3ce41869c","","","0.71073","MoKα","","0.0859","0.053","","","0.1222","0.1393","","","","","","1.035","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214278","17.7463","0.0014","8.093","0.0007","14.1825","0.0009","90","","133.117","0.004","90","","1486.9","0.2","238","2","238","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","MBDA-Form-II","","","- C17 H22 N2 -","- C17 H22 N2 -","- C68 H88 N8 -","4","0.5","","Bhattacharya, Suman; Saha, Binoy K.","Steric guided anomalous thermal expansion in a dimorphic organic system","CrystEngComm","2014","16","12","2340","","10.1039/c3ce41869c","","","0.71073","MoKα","","0.1075","0.0584","","","0.1361","0.1662","","","","","","1.021","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214279","17.6512","0.0018","8.1468","0.0005","14.2338","0.001","90","","132.931","0.006","90","","1498.6","0.3","268","2","268","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","MBDA-Form-II","4,4'-Methylene-bis(2,6-dimethylaniline)","","- C17 H22 N2 -","- C17 H22 N2 -","- C68 H88 N8 -","4","0.5","","Bhattacharya, Suman; Saha, Binoy K.","Steric guided anomalous thermal expansion in a dimorphic organic system","CrystEngComm","2014","16","12","2340","","10.1039/c3ce41869c","","","0.71073","MoKα","","0.111","0.0544","","","0.1109","0.1361","","","","","","1.014","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214280","17.5602","0.0017","8.1816","0.0006","14.282","0.001","90","","132.8","0.005","90","","1505.5","0.2","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","MBDA-Form-II","4,4'-Methylene-bis(2,6-dimethylaniline)","","- C17 H22 N2 -","- C17 H22 N2 -","- C68 H88 N8 -","4","0.5","","Bhattacharya, Suman; Saha, Binoy K.","Steric guided anomalous thermal expansion in a dimorphic organic system","CrystEngComm","2014","16","12","2340","","10.1039/c3ce41869c","","","0.71073","MoKα","","0.1104","0.0563","","","0.1335","0.1663","","","","","","1.019","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214281","17.416","0.004","11.358","0.002","13.74","0.003","90","","92.41","0.03","90","","2715.5","1","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Di-ethylammonium-1,1'-binaphthyl-2,2'-dicarboxylate","","- C30 H36 N2 O4 -","- C30 H36 N2 O4 -","- C120 H144 N8 O16 -","4","0.5","","Jacobs, Ayesha; Báthori, Nikoletta B.; Kabwit, Rodriguez Y.; Weber, Edwin","Salts of the scissor-shaped racemic host 1,1′-binaphthyl-2,2′-dicarboxylic acid with amines: structure and thermal stability","CrystEngComm","2014","16","12","2462","","10.1039/c3ce42215a","","","0.71073","MoKα","","0.0508","0.0401","","","0.0969","0.1041","","","","","","1.036","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214282","9.5427","0.0019","12.417","0.003","15.396","0.003","81.62","0.03","79.45","0.03","75.37","0.03","1725.8","0.7","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","Di-n-butylammonium-1,1'-binaphthyl-2,2'-dicarboxylate","","- C38 H52 N2 O4 -","- C38 H52 N2 O4 -","- C76 H104 N4 O8 -","2","1","","Jacobs, Ayesha; Báthori, Nikoletta B.; Kabwit, Rodriguez Y.; Weber, Edwin","Salts of the scissor-shaped racemic host 1,1′-binaphthyl-2,2′-dicarboxylic acid with amines: structure and thermal stability","CrystEngComm","2014","16","12","2462","","10.1039/c3ce42215a","","","0.71073","MoKα","","0.0661","0.0449","","","0.1107","0.124","","","","","","1.042","","","","has coordinates,has disorder","180473","2020-10-21","18:00:00",""
"7214283","11.8142","0.0013","12.3251","0.0014","13.3363","0.0015","64.614","0.002","86.613","0.002","83.622","0.002","1743.4","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","Di-n-butylammonium-1,1'-binaphthyl-2,2'-dicarboxylate","","- C38 H52 N2 O4 -","- C38 H52 N2 O4 -","- C76 H104 N4 O8 -","2","1","","Jacobs, Ayesha; Báthori, Nikoletta B.; Kabwit, Rodriguez Y.; Weber, Edwin","Salts of the scissor-shaped racemic host 1,1′-binaphthyl-2,2′-dicarboxylic acid with amines: structure and thermal stability","CrystEngComm","2014","16","12","2462","","10.1039/c3ce42215a","","","0.71073","MoKα","","0.0864","0.0499","","","0.1206","0.1395","","","","","","1.012","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214284","14.254","0.003","14.9","0.003","15.067","0.003","100.82","0.03","117.76","0.03","104.12","0.03","2571.3","1.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C53 H81 N5 O7 -","- C53 H81 N5 O7 -","- C106 H162 N10 O14 -","2","1","","Jacobs, Ayesha; Báthori, Nikoletta B.; Kabwit, Rodriguez Y.; Weber, Edwin","Salts of the scissor-shaped racemic host 1,1′-binaphthyl-2,2′-dicarboxylic acid with amines: structure and thermal stability","CrystEngComm","2014","16","12","2462","","10.1039/c3ce42215a","","","0.71073","MoKα","","0.0787","0.0605","","","0.1684","0.1829","","","","","","1.037","","","","has coordinates,has disorder","180473","2020-10-21","18:00:00",""
"7214285","13.97","0.003","19.964","0.004","15.127","0.003","90","","97.88","0.03","90","","4179","1.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","dicyclohexylammonium-1,1'-binaphthyl-2,2'-dicarboxylate methanol hydrate","","- C47 H66 N2 O6 -","- C47 H66 N2 O6 -","- C188 H264 N8 O24 -","4","1","","Jacobs, Ayesha; Báthori, Nikoletta B.; Kabwit, Rodriguez Y.; Weber, Edwin","Salts of the scissor-shaped racemic host 1,1′-binaphthyl-2,2′-dicarboxylic acid with amines: structure and thermal stability","CrystEngComm","2014","16","12","2462","","10.1039/c3ce42215a","","","0.71073","MoKα","","0.0731","0.044","","","0.1108","0.1259","","","","","","1.028","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214286","11.2481","0.0012","13.1877","0.0014","18.235","0.002","90","","105.738","0.002","90","","2603.5","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15.1 H33.38 Al4 Na3 O15.1 -","- C15.095 H33.38 Al4 Na3 O15.095 -","- C60.38 H133.52 Al16 Na12 O60.38 -","4","1","","Li, Xiansen; Michaelis, Vladimir K.; Ong, Ta-Chung; Smith, Stacey J.; McKay, Ian; Müller, Peter; Griffin, Robert G.; Wang, Evelyn N.","One-pot Solvothermal Synthesis of Well-ordered Layered Sodium Aluminoalcoholate Complex: A Useful Precursor for the Preparation of Porous Al2O3 Particles.","CrystEngComm / RSC","2014","16","14","2950","2958","10.1039/C3CE42616E","","","0.71073","MoKα","","0.0633","0.0405","","","0.0994","0.111","","","","","","1.046","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7214287","7.114","0.005","17.602","0.013","8.188","0.006","90","","110.666","0.012","90","","959.3","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H11 Br N2 O2 -","- C7 H11 Br N2 O2 -","- C28 H44 Br4 N8 O8 -","4","1","","Xuan, Xiao-Peng; Chang, Liang-Liang; Zhang, Heng; Wang, Na; Zhao, Yang","Hydrogen bonds in the crystal structure of hydrophobic and hydrophilic COOH-functionalized imidazolium ionic liquids","CrystEngComm","2014","16","14","3040","","10.1039/c3ce42492h","","","0.71073","MoKα","","0.0642","0.0436","","","0.1042","0.1134","","","","","","1.009","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214288","7.092","0.002","11.93","0.003","14.419","0.004","90","","109.603","0.012","90","","1149.2","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H11 F6 N2 O2 P -","- C7 H11 F6 N2 O2 P -","- C28 H44 F24 N8 O8 P4 -","4","1","","Xuan, Xiao-Peng; Chang, Liang-Liang; Zhang, Heng; Wang, Na; Zhao, Yang","Hydrogen bonds in the crystal structure of hydrophobic and hydrophilic COOH-functionalized imidazolium ionic liquids","CrystEngComm","2014","16","14","3040","","10.1039/c3ce42492h","","","0.71073","MoKα","","0.0672","0.0412","","","0.0869","0.0992","","","","","","1.007","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214289","8.264","0.005","15.703","0.01","21.517","0.011","90","","111.29","0.019","90","","2602","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H13 F6 N2 O2 P -","- C8 H13 F6 N2 O2 P -","- C64 H104 F48 N16 O16 P8 -","8","2","","Xuan, Xiao-Peng; Chang, Liang-Liang; Zhang, Heng; Wang, Na; Zhao, Yang","Hydrogen bonds in the crystal structure of hydrophobic and hydrophilic COOH-functionalized imidazolium ionic liquids","CrystEngComm","2014","16","14","3040","","10.1039/c3ce42492h","","","0.71073","MoKα","","0.2021","0.1652","","","0.3331","0.3456","","","","","","1.088","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214290","9.898","0.005","16.937","0.008","12.581","0.005","90","","127.51","0.03","90","","1673","1.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H11 F6 N3 O6 S2 -","- C9 H11 F6 N3 O6 S2 -","- C36 H44 F24 N12 O24 S8 -","4","1","","Xuan, Xiao-Peng; Chang, Liang-Liang; Zhang, Heng; Wang, Na; Zhao, Yang","Hydrogen bonds in the crystal structure of hydrophobic and hydrophilic COOH-functionalized imidazolium ionic liquids","CrystEngComm","2014","16","14","3040","","10.1039/c3ce42492h","","","0.71073","MoKα","","0.0579","0.0447","","","0.106","0.1143","","","","","","1.004","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214291","7.836","0.003","4.821","0.0018","28.599","0.011","90","","100.732","0.01","90","","1061.5","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H13 Br N2 O2 -","- C8 H13 Br N2 O2 -","- C32 H52 Br4 N8 O8 -","4","1","","Xuan, Xiao-Peng; Chang, Liang-Liang; Zhang, Heng; Wang, Na; Zhao, Yang","Hydrogen bonds in the crystal structure of hydrophobic and hydrophilic COOH-functionalized imidazolium ionic liquids","CrystEngComm","2014","16","14","3040","","10.1039/c3ce42492h","","","0.71073","MoKα","","0.0425","0.0336","","","0.0838","0.088","","","","","","1.017","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214292","13.445","0.006","6.382","0.003","9.727","0.005","90","","90","","90","","834.6","0.7","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C6 H9 Cl N2 O2 -","- C6 H9 Cl N2 O2 -","- C24 H36 Cl4 N8 O8 -","4","1","","Xuan, Xiao-Peng; Chang, Liang-Liang; Zhang, Heng; Wang, Na; Zhao, Yang","Hydrogen bonds in the crystal structure of hydrophobic and hydrophilic COOH-functionalized imidazolium ionic liquids","CrystEngComm","2014","16","14","3040","","10.1039/c3ce42492h","","","0.71073","MoKα","","0.0348","0.0287","","","0.068","0.0713","","","","","","1.012","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214293","15.4579","0.0016","19.1439","0.0017","17.109","0.001","90","","105.241","0.006","90","","4884.9","0.7","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H58 O29 U4 -","- C30 H51 O29 U4 -","- C120 H204 O116 U16 -","4","2","","Thuéry, Pierre; Harrowfield, Jack","Chiral one- to three-dimensional uranyl‒organic assemblies from (1R,3S)-(+)-camphoric acid","CrystEngComm","2014","16","14","2996","","10.1039/c3ce42613k","","","0.71073","MoKα","","0.1108","0.0714","","","0.1705","0.1863","","","","","","1.022","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214294","21.3657","0.0007","21.3657","0.0007","38.4108","0.0014","90","","90","","120","","15185.1","0.9","150","2","150","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C120 H194 K8 O77 U8 -","- C120 H168 K8.01 O77 U8 -","- C360 H504 K24.03 O231 U24 -","3","0.333333","","Thuéry, Pierre; Harrowfield, Jack","Chiral one- to three-dimensional uranyl‒organic assemblies from (1R,3S)-(+)-camphoric acid","CrystEngComm","2014","16","14","2996","","10.1039/c3ce42613k","","","0.71073","MoKα","","0.0961","0.063","","","0.1569","0.1692","","","","","","1.052","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214295","9.2051","0.0002","19.3999","0.0003","10.3663","0.0002","90","","97.9411","0.0007","90","","1833.44","0.06","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H23 N O7 U -","- C15 H23 N O7 U -","- C60 H92 N4 O28 U4 -","4","2","","Thuéry, Pierre; Harrowfield, Jack","Chiral one- to three-dimensional uranyl‒organic assemblies from (1R,3S)-(+)-camphoric acid","CrystEngComm","2014","16","14","2996","","10.1039/c3ce42613k","","","0.71073","MoKα","","0.0408","0.0379","","","0.0992","0.1009","","","","","","1.039","","","","has coordinates,has disorder","180473","2020-10-21","18:00:00",""
"7214296","19.5109","0.0015","18.82","0.001","13.9091","0.0011","90","","109.813","0.004","90","","4805","0.6","150","2","150","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C40 H60 Cu N2 O18 U2 -","- C40 H60 Cu N2 O18 U2 -","- C160 H240 Cu4 N8 O72 U8 -","4","1","","Thuéry, Pierre; Harrowfield, Jack","Chiral one- to three-dimensional uranyl‒organic assemblies from (1R,3S)-(+)-camphoric acid","CrystEngComm","2014","16","14","2996","","10.1039/c3ce42613k","","","0.71073","MoKα","","0.1013","0.0678","","","0.1787","0.1941","","","","","","1.039","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214297","7.3053","0.0007","17.5056","0.0014","12.6731","0.0012","90","","90","","90","","1620.7","0.3","143","1","143","1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C19 H17 O5 S Zn -","- C19 H17 O5 S Zn -","- C76 H68 O20 S4 Zn4 -","4","0.5","","Kojtari, Arben; Carroll, Patrick J.; Ji, Hai-Feng","Metal organic framework (MOF) micro/nanopillars","CrystEngComm","2014","16","14","2885","","10.1039/c4ce00172a","","","0.71073","MoKα","","0.0578","0.0366","","","0.0894","0.0996","","","","","","1.09","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214298","6.7778","0.0007","18.8206","0.0018","8.5384","0.0008","90","","92.471","0.004","90","","1088.16","0.18","143","1","143","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H10 Cu O9 -","- C9 H10 Cu O9 -","- C36 H40 Cu4 O36 -","4","1","","Kojtari, Arben; Carroll, Patrick J.; Ji, Hai-Feng","Metal organic framework (MOF) micro/nanopillars","CrystEngComm","2014","16","14","2885","","10.1039/c4ce00172a","","","0.71073","MoKα","","0.0196","0.0194","","","0.0526","0.0526","","","","","","1.112","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214299","22.463","0.004","10.3101","0.0019","17.114","0.003","90","","90.427","0.002","90","","3963.4","1.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H40 Cu2 N10 O4 Zn -","- C42 H40 Cu2 N10 O4 Zn -","- C168 H160 Cu8 N40 O16 Zn4 -","4","0.5","","Das, Lakshmi Kanta; Kirillov, Alexander M.; Ghosh, Ashutosh","Discrete 0D and polymeric 2D and 3D derivatives assembled from [(CuL)2Zn]2+ and dicyanamide blocks (H2L = salen type Schiff bases): Genuine supramolecular isomers with distinct topologies","CrystEngComm","2014","16","14","3029","","10.1039/c3ce42027b","","","0.71073","MoKα","","0.052","0.0328","","","0.0724","0.0803","","","","","","1.017","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214300","16.3579","0.0015","10.7877","0.001","21.928","0.002","90","","107.132","0.001","90","","3697.8","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H32 Cu2 N10 O4 Zn -","- C38 H32 Cu2 N10 O4 Zn -","- C152 H128 Cu8 N40 O16 Zn4 -","4","1","","Das, Lakshmi Kanta; Kirillov, Alexander M.; Ghosh, Ashutosh","Discrete 0D and polymeric 2D and 3D derivatives assembled from [(CuL)2Zn]2+ and dicyanamide blocks (H2L = salen type Schiff bases): Genuine supramolecular isomers with distinct topologies","CrystEngComm","2014","16","14","3029","","10.1039/c3ce42027b","","","0.71073","MoKα","","0.0737","0.0379","","","0.0699","0.0814","","","","","","1.008","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214301","11.44","0.002","11.44","0.002","24.485","0.004","90","","90","","120","","2775.1","0.8","293","2","293","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C38 H32 Cu2 N10 O4 Zn -","- C38 H32 Cu2 N10 O4 Zn -","- C114 H96 Cu6 N30 O12 Zn3 -","3","0.5","","Das, Lakshmi Kanta; Kirillov, Alexander M.; Ghosh, Ashutosh","Discrete 0D and polymeric 2D and 3D derivatives assembled from [(CuL)2Zn]2+ and dicyanamide blocks (H2L = salen type Schiff bases): Genuine supramolecular isomers with distinct topologies","CrystEngComm","2014","16","14","3029","","10.1039/c3ce42027b","","","0.71073","MoKα","","0.0484","0.0368","","","0.0832","0.0911","","","","","","0.945","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214302","13.585","0.004","12.926","0.004","16.012","0.005","90","","90","","90","","2811.7","1.5","291","2","291","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H15 Cl3 N2 O8 -","- C7 H15 Cl3 N2 O8 -","- C56 H120 Cl24 N16 O64 -","8","1","","Chen, Li-Zhuang; Huang, Deng-Deng; Ge, Jia-Zhen; Wang, Fang-Ming","Temperature-induced reversible structural phase transition of 1-(chloromethyl)-1,4-diazoniabicyclo[2.2.2]octane bis(perchlorate)","CrystEngComm","2014","16","14","2944","","10.1039/c3ce42190b","","","0.71073","MoKα","","0.077","0.069","","","0.1744","0.1833","","","","","","0.956","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214303","12.659","0.004","16.121","0.005","13.197","0.004","90","","91.231","0.004","90","","2692.6","1.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H15 Cl3 N2 O8 -","- C7 H15 Cl3 N2 O8 -","- C56 H120 Cl24 N16 O64 -","8","2","","Chen, Li-Zhuang; Huang, Deng-Deng; Ge, Jia-Zhen; Wang, Fang-Ming","Temperature-induced reversible structural phase transition of 1-(chloromethyl)-1,4-diazoniabicyclo[2.2.2]octane bis(perchlorate)","CrystEngComm","2014","16","14","2944","","10.1039/c3ce42190b","","","0.71073","MoKα","","0.0969","0.0883","","","0.2124","0.2178","","","","","","1.061","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214304","13.3098","0.0012","12.7949","0.0012","16.0119","0.0015","90","","90","","90","","2726.8","0.4","170","2","170","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H15 Cl3 N2 O8 -","- C7 H15 Cl3 N2 O8 -","- C56 H120 Cl24 N16 O64 -","8","1","","Chen, Li-Zhuang; Huang, Deng-Deng; Ge, Jia-Zhen; Wang, Fang-Ming","Temperature-induced reversible structural phase transition of 1-(chloromethyl)-1,4-diazoniabicyclo[2.2.2]octane bis(perchlorate)","CrystEngComm","2014","16","14","2944","","10.1039/c3ce42190b","","","0.71073","MoKα","","0.0615","0.056","","","0.1493","0.1537","","","","","","1.243","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214312","39.4134","0.0004","39.4134","0.0004","10.4024","0.0002","90","","90","","120","","13994.3","0.3","93","2","93","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C32 H30 N2 O8 -","- C32 H30 N2 O8 -","- C576 H540 N36 O144 -","18","1","","Gruber, Tobias; Eißmann, Frank; Gruner, Margit; Heinz, Luisa G.; Seichter, Wilhelm; Weber, Edwin","Simple dinitro substituted calix[4]arene forming a honeycomb-like architecture with hydrophobic channels","CrystEngComm","2014","16","18","3730","","10.1039/c3ce41819g","","","0.71073","MoKα","","0.0666","0.0496","","","0.1357","0.1517","","","","","","0.995","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214313","39.3244","0.0003","39.3244","0.0003","10.4186","0.0002","90","","90","","120","","13952.9","0.3","103","2","103","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C33 H32 N2 O8.34 -","- C33 H30 N2 O8.34 -","- C594 H540 N36 O150.12 -","18","1","","Gruber, Tobias; Eißmann, Frank; Gruner, Margit; Heinz, Luisa G.; Seichter, Wilhelm; Weber, Edwin","Simple dinitro substituted calix[4]arene forming a honeycomb-like architecture with hydrophobic channels","CrystEngComm","2014","16","18","3730","","10.1039/c3ce41819g","","","0.71073","MoKα","","0.093","0.0531","","","0.1258","0.1462","","","","","","1.041","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214314","16.1514","0.0005","16.4165","0.0005","24.4814","0.0008","90","","90","","90","","6491.2","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C33 H31 Cl3 N2 O8 -","- C33 H31 Cl3 N2 O8 -","- C264 H248 Cl24 N16 O64 -","8","1","","Gruber, Tobias; Eißmann, Frank; Gruner, Margit; Heinz, Luisa G.; Seichter, Wilhelm; Weber, Edwin","Simple dinitro substituted calix[4]arene forming a honeycomb-like architecture with hydrophobic channels","CrystEngComm","2014","16","18","3730","","10.1039/c3ce41819g","","","0.71073","MoKα","","0.0837","0.0678","","","0.196","0.215","","","","","","1.284","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214315","14.8361","0.0005","36.0691","0.0012","23.6851","0.0009","90","","101.903","0.001","90","","12402","0.8","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C84 H95 Ce3 N5 O89 S8 -","- C84 H95 Ce3 N5 O89 S8 -","- C336 H380 Ce12 N20 O356 S32 -","4","1","","Husain, Ahmad; Oliver, Clive L.","A C-shaped p-sulfonatocalix[4]arene-based supermolecule exhibiting mutual-inclusion and bilayer insertion of dipicolinate","CrystEngComm","2014","16","18","3749","","10.1039/c3ce42358a","","","0.71073","MoKα","","0.0689","0.0496","","","0.1181","0.1282","","","","","","1.028","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214316","14.6699","0.0008","13.9019","0.0008","27.0087","0.0015","90","","102.838","0.003","90","","5370.4","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H67 Cl4 N5 O4 -","- C51 H55 Cl4 N5 O4 -","- C204 H220 Cl16 N20 O16 -","4","1","","Engle, Jeffrey M.; Singh, Pushpinder S.; Vonnegut, Chris L.; Zakharov, Lev N.; Johnson, Darren W.; Haley, Michael M.","Synthesis and solid-state structures of a macrocyclic receptor based on the 2,6-bis(2-anilinoethynyl)pyridine scaffold","CrystEngComm","2014","16","18","3703","","10.1039/c3ce42307g","","","1.54178","CuKα","","0.1023","0.0891","","","0.2627","0.2771","","","","","","1.059","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214317","24.0752","0.0018","9.9609","0.0007","45.509","0.003","90","","90","","90","","10913.5","1.3","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C53 H62 N5 O5 -","- C50 H55 N5 O5 -","- C400 H440 N40 O40 -","8","1","","Engle, Jeffrey M.; Singh, Pushpinder S.; Vonnegut, Chris L.; Zakharov, Lev N.; Johnson, Darren W.; Haley, Michael M.","Synthesis and solid-state structures of a macrocyclic receptor based on the 2,6-bis(2-anilinoethynyl)pyridine scaffold","CrystEngComm","2014","16","18","3703","","10.1039/c3ce42307g","","","0.71073","MoKα","","0.1058","0.0636","","","0.1759","0.2","","","","","","1.01","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214318","10.899","0.003","10.055","0.003","27.255","0.007","90","","90","","90","","2986.9","1.4","291","2","291","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C36 H36 N4 O4 -","- C36 H36 N4 O4 -","- C144 H144 N16 O16 -","4","0.5","","Tedesco, Consiglia; Erra, Loredana; Izzo, Irene; De Riccardis, Francesco","Solid state assembly of cyclic α-peptoids","CrystEngComm","2014","16","18","3667","","10.1039/c3ce42456a","","","1.54178","CuKα","","0.073","0.0586","","","0.172","0.2208","","","","","","1.029","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214319","11.612","0.0002","14.5363","0.0002","27.401","0.0004","90","","101.019","0.0014","90","","4539.9","0.12","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C49 H74 N2 O9 -","- C49 H74 N2 O9 -","- C196 H296 N8 O36 -","4","1","","Beyeh, N. Kodiah; Valkonen, Arto; Rissanen, Kari","Deprotonation of resorcinarenes by mono- and diamine bases: complexation and intermolecular interactions in the solid state","CrystEngComm","2014","16","18","3758","","10.1039/c3ce42291g","","","1.54184","CuKα","","0.0451","0.0383","","","0.098","0.1033","","","","","","1.03","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214320","11.0544","0.0005","11.9545","0.0005","17.4371","0.0009","109.915","0.004","100.321","0.004","97.585","0.004","2084.53","0.19","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H61 N3 O8 -","- C45 H61 N3 O8 -","- C90 H122 N6 O16 -","2","1","","Beyeh, N. Kodiah; Valkonen, Arto; Rissanen, Kari","Deprotonation of resorcinarenes by mono- and diamine bases: complexation and intermolecular interactions in the solid state","CrystEngComm","2014","16","18","3758","","10.1039/c3ce42291g","","","1.54184","CuKα","","0.066","0.0502","","","0.1449","0.1581","","","","","","1.05","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214321","11.7076","0.0005","14.7176","0.0006","15.4943","0.0006","107.092","0.002","94.407","0.002","110.946","0.002","2333.23","0.17","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H73 N3 O9 -","- C50 H73 N3 O9 -","- C100 H146 N6 O18 -","2","1","","Beyeh, N. Kodiah; Valkonen, Arto; Rissanen, Kari","Deprotonation of resorcinarenes by mono- and diamine bases: complexation and intermolecular interactions in the solid state","CrystEngComm","2014","16","18","3758","","10.1039/c3ce42291g","","","0.71073","MoKα","","0.1043","0.0707","","","0.1485","0.166","","","","","","1.091","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214322","8.1302","0.0002","11.0677","0.0004","17.3238","0.0007","90","","95.2468","0.0012","90","","1552.31","0.09","150","","150","","","","","","","","synthesized","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H36 Br2 Cl2 N4 O2 -","- C28 H36 Br2 Cl2 N4 O2 -","- C56 H72 Br4 Cl4 N8 O4 -","2","0.5","","White, Nicholas G.; Caballero, Antonio; Beer, Paul D.","Observation of strong halogen bonds in the solid state structures of bis-haloimidazolium macrocycles","CrystEngComm","2014","16","18","3722","","10.1039/c3ce41944d","","","0.71073","MoKα","","0.047","0.0379","","0.0863","0.0809","0.0863","","","","","","0.9195","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214323","8.709","0.0001","8.9799","0.0001","26.0376","0.0003","89.5146","0.0004","84.863","0.0004","85.5213","0.0005","2021.92","0.04","150","","150","","","","","","","","synthesized","7","P -1","-P 1","2","","","","- C32 H46 Br2 I2 N4 O3 S3 -","- C32 H46 Br2 I2 N4 O3 S3 -","- C64 H92 Br4 I4 N8 O6 S6 -","2","1","","White, Nicholas G.; Caballero, Antonio; Beer, Paul D.","Observation of strong halogen bonds in the solid state structures of bis-haloimidazolium macrocycles","CrystEngComm","2014","16","18","3722","","10.1039/c3ce41944d","","","0.71073","MoKα","","0.0529","0.0427","","0.1121","0.1023","0.1121","","","","","","0.9631","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214324","8.7552","0.0002","9.1778","0.0002","19.3962","0.0005","100.835","0.001","95.9931","0.001","95.4914","0.0011","1511.75","0.06","150","","150","","","","","","","","synthesized","5","P -1","-P 1","2","","","","- C26 H31 Br2 N6 O7.5 -","- C26 H31 Br2 N6 O7.5 -","- C52 H62 Br4 N12 O15 -","2","1","","White, Nicholas G.; Caballero, Antonio; Beer, Paul D.","Observation of strong halogen bonds in the solid state structures of bis-haloimidazolium macrocycles","CrystEngComm","2014","16","18","3722","","10.1039/c3ce41944d","","","0.71073","MoKα","","0.0994","0.0658","","0.2173","0.1669","0.2173","","","","","","0.9691","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214325","27.1683","0.0011","15.3846","0.0005","19.2713","0.0009","90","","98.162","0.002","90","","7973.3","0.6","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C68 H72 Br2 Cd Cl12 N4 O4 S4 -","- C68 H70 Br2 Cd Cl12 N4 O4 S4 -","- C272 H280 Br8 Cd4 Cl48 N16 O16 S16 -","4","0.5","","Ovsyannikov, A.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: generation of grid and porous diamondoid coordination networks by calixarene based tectons","CrystEngComm","2014","16","18","3765","","10.1039/c3ce42305k","","","0.71073","MoKα","","0.1103","0.0811","","","0.2313","0.2548","","","","","","1.051","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214326","13.9112","0.0002","14.48","0.0003","20.85","0.0004","74.732","0.001","82.404","0.001","66.777","0.001","3721.48","0.12","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C66 H70 Br2 Cd Cl6 N4 S8 -","- C66 H70 Br2 Cd Cl6 N4 S8 -","- C132 H140 Br4 Cd2 Cl12 N8 S16 -","2","1","","Ovsyannikov, A.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: generation of grid and porous diamondoid coordination networks by calixarene based tectons","CrystEngComm","2014","16","18","3765","","10.1039/c3ce42305k","","","0.71073","MoKα","","0.0847","0.0432","","","0.1015","0.1181","","","","","","1.004","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214327","28.197","0.0008","15.6401","0.0004","15.4989","0.0004","90","","100.242","0.002","90","","6726.2","0.3","173","2","173","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C130 H146 Br2 Co N8 O3 S16 -","- C130 H144 Br2 Co N8 O3 S16 -","- C260 H288 Br4 Co2 N16 O6 S32 -","2","0.5","","Ovsyannikov, A.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: generation of grid and porous diamondoid coordination networks by calixarene based tectons","CrystEngComm","2014","16","18","3765","","10.1039/c3ce42305k","","","0.71073","MoKα","","0.1023","0.0604","","","0.1504","0.1736","","","","","","1.033","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214328","11.4791","0.0004","14.2338","0.0004","21.6211","0.0005","87.817","0.001","81.183","0.001","66.381","0.001","3197.45","0.16","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C129 H140 Cl4 Fe2 N8 O S16 -","- C129 H140 Cl4 Fe2 N8 O S16 -","- C129 H140 Cl4 Fe2 N8 O S16 -","1","0.5","","Ovsyannikov, A.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: generation of grid and porous diamondoid coordination networks by calixarene based tectons","CrystEngComm","2014","16","18","3765","","10.1039/c3ce42305k","","","0.71073","MoKα","","0.0607","0.0486","","","0.1368","0.148","","","","","","1.033","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214329","9.4199","0.0003","12.6344","0.0004","20.5258","0.0005","90","","90","","90","","2442.87","0.12","200","2","200","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C15 H9 N13 O12 Pb2 -","- C15 H9 N13 O12 Pb2 -","- C60 H36 N52 O48 Pb8 -","4","0.5","","Safin, Damir A.; Burgess, Kevin M. N.; Korobkov, Ilia; Bryce, David L.; Murugesu, Muralee","Renaissance of the coordination chemistry of 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine (TPymT). Part II: new insights into the reaction of TPymT with Pb(NO3)2","CrystEngComm","2014","16","17","3466","","10.1039/c4ce00009a","","","0.71073","MoKα","","0.0326","0.0267","","","0.0665","0.0698","","","","","","1.037","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214330","10.4811","0.0004","14.5008","0.0005","21.9334","0.0008","90","","90","","90","","3333.5","0.2","100","2","100","2","","","","","","","","6","P m m n :2","-P 2ab 2a","59","","","","- C36 H84 Cl4 Mg2 N24 O36 -","- C36 H36 Cl4 Mg2 N24 O35.6636 -","- C72 H72 Cl8 Mg4 N48 O71.3272 -","2","0.25","","Danylyuk, Oksana; Fedin, Vladimir P.","Unexpected crystallization of the metastable tubular coordination polymer of cucurbit[6]uril with magnesium ions which spontaneously transforms into a discrete coordination complex","CrystEngComm","2014","16","18","3699","","10.1039/c3ce42287a","","","1.5418","CuKα","","0.1037","0.0878","","","0.2471","0.2644","","","","","","1.03","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214331","10.915","0.0002","12.4577","0.0002","13.8264","0.0002","106.243","0.001","94.7355","0.001","113.72","0.001","1611.32","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H80 Cl4 Mg2 N24 O34 -","- C36 H62 Cl4 Mg2 N24 O34 -","- C36 H62 Cl4 Mg2 N24 O34 -","1","0.5","","Danylyuk, Oksana; Fedin, Vladimir P.","Unexpected crystallization of the metastable tubular coordination polymer of cucurbit[6]uril with magnesium ions which spontaneously transforms into a discrete coordination complex","CrystEngComm","2014","16","18","3699","","10.1039/c3ce42287a","","","0.71073","MoKα","","0.0472","0.0433","","","0.1118","0.1145","","","","","","1.047","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214332","12.4536","0.0002","12.4913","0.0002","13.0575","0.0002","110.575","0.001","102.185","0.001","98.7109","0.001","1801.45","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H86 Cl8 Mg4 N24 O37 -","- C36 H76.048 Cl8 Mg4 N24 O37 -","- C36 H76.048 Cl8 Mg4 N24 O37 -","1","0.5","","Danylyuk, Oksana; Fedin, Vladimir P.","Unexpected crystallization of the metastable tubular coordination polymer of cucurbit[6]uril with magnesium ions which spontaneously transforms into a discrete coordination complex","CrystEngComm","2014","16","18","3699","","10.1039/c3ce42287a","","","0.71073","MoKα","","0.0516","0.0435","","","0.0958","0.1026","","","","","","1.05","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214333","12.2773","0.0009","28.901","0.002","15.635","0.0012","90","","93.101","0.002","90","","5539.6","0.7","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","5","","","- C58.5 H66 N8 O14.5 -","- C58.5 H65.5 N8 O14.5 -","- C234 H262 N32 O58 -","4","1","","Kennedy, Stuart; Beavers, Christine M.; Teat, Simon J.; Dalgarno, Scott J.","Salt formation affects the conformational and assembly properties of p-carboxylatocalix[4]arenes","CrystEngComm","2014","16","18","3712","","10.1039/c3ce42523a","","","0.7749","Synchrotron","","0.0763","0.0505","","","0.1342","0.1524","","","","","","0.976","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214334","16.5671","0.0014","19.7029","0.0017","20.3946","0.0018","87.763","0.004","84.24","0.004","77.864","0.003","6474.5","1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","methanolpropoxy","","","- C130.65 H167.3 N16 O34 -","- C130.65 H150 N16 O33.5 -","- C261.3 H300 N32 O67 -","2","1","","Kennedy, Stuart; Beavers, Christine M.; Teat, Simon J.; Dalgarno, Scott J.","Salt formation affects the conformational and assembly properties of p-carboxylatocalix[4]arenes","CrystEngComm","2014","16","18","3712","","10.1039/c3ce42523a","","","0.71073","MoKα","","0.1023","0.0809","","","0.2388","0.2542","","","","","","1.893","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7214335","13.1086","0.0004","38.2571","0.0017","12.9509","0.0006","90","","99.22","0.002","90","","6410.9","0.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","methanolbutoxy","","","- C68 H80 N8 O12 -","- C68 H80 N8 O12 -","- C272 H320 N32 O48 -","4","0.5","","Kennedy, Stuart; Beavers, Christine M.; Teat, Simon J.; Dalgarno, Scott J.","Salt formation affects the conformational and assembly properties of p-carboxylatocalix[4]arenes","CrystEngComm","2014","16","18","3712","","10.1039/c3ce42523a","","","0.7749","synchrotron","","0.2628","0.1289","","","0.2471","0.3001","","","","","","1.389","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214336","16.3018","0.0005","8.6598","0.0002","13.566","0.0004","90","","112.177","0.004","90","","1773.44","0.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H26 Cl2 N6 Ni O8 -","- C10 H26 Cl2 N6 Ni O8 -","- C40 H104 Cl8 N24 Ni4 O32 -","4","1","","Tsymbal, Lyudmila V.; Lampeka, Yaroslaw D.; Boyko, Vyacheslaw I.; Kalchenko, Vitaly I.; Shishkina, Svitlana V.; Shishkin, Oleg V.","A ladder-type coordination polymer constructed from two macrocyclic units ‒ calix[4]arene tetracarboxylate and azamacrocyclic nickel(ii) complex","CrystEngComm","2014","16","18","3707","","10.1039/c3ce42279h","","","0.71073","MoKα","","0.0513","0.0362","","","0.0887","0.0957","","","","","","0.992","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214337","12.9588","0.0004","15.3239","0.0005","24.3358","0.0009","78.225","0.003","84.909","0.003","70.031","0.003","4445.5","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C161 H265 N27 Ni3 O34 -","- C161 H265 N27 Ni3 O34 -","- C161 H265 N27 Ni3 O34 -","1","0.5","","Tsymbal, Lyudmila V.; Lampeka, Yaroslaw D.; Boyko, Vyacheslaw I.; Kalchenko, Vitaly I.; Shishkina, Svitlana V.; Shishkin, Oleg V.","A ladder-type coordination polymer constructed from two macrocyclic units ‒ calix[4]arene tetracarboxylate and azamacrocyclic nickel(ii) complex","CrystEngComm","2014","16","18","3707","","10.1039/c3ce42279h","","","0.71073","MoKα","","0.1063","0.0766","","","0.2038","0.2337","","","","","","0.999","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214338","13.344","0.0008","11.0423","0.0007","14.6607","0.0009","90","","90.571","0.003","90","","2160.1","0.2","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C52 H56 N6 O2 -","- C52 H56 N6 O2 -","- C104 H112 N12 O4 -","2","0.5","","Constable, Edwin C.; Housecroft, Catherine E.; Vujovic, Srboljub; Zampese, Jennifer A.","2D →2D Parallel interpenetration of (4,4) sheets constructed from a ditopic bis(4,2′:6′,4′′-terpyridine)","CrystEngComm","2014","16","17","3494","","10.1039/c4ce00324a","","","1.54178","CuKα","","0.0447","0.0393","","","0.1046","0.1096","","","","","","1.034","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214339","20.6102","0.0011","11.5999","0.0006","23.8198","0.0012","90","","90.978","0.003","90","","5693.9","0.5","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H64 Cl4 N6 O6 Zn2 -","- C52 H56 Cl4 N6 O6 Zn2 -","- C208 H224 Cl16 N24 O24 Zn8 -","4","0.5","","Constable, Edwin C.; Housecroft, Catherine E.; Vujovic, Srboljub; Zampese, Jennifer A.","2D →2D Parallel interpenetration of (4,4) sheets constructed from a ditopic bis(4,2′:6′,4′′-terpyridine)","CrystEngComm","2014","16","17","3494","","10.1039/c4ce00324a","","","1.54178","CuKα","","0.0616","0.0591","","","0.1643","0.1659","","","","","","1.192","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214340","44.86","0.004","15.1635","0.0014","15.6748","0.0014","90","","97.55","0.004","90","","10570.1","1.7","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","[Dinitro{(±)-2,7,12-Trimethoxy-3,8,13-tris(2-N-oxide-pyridylmethoxy)-10,15-dihydro-5H- tribenzo[a,d,g]cyclononatriene}]gadolinium(III) dimethylformamide","","- C45 H46 Gd N7 O19 -","- C45 H46 Gd N7 O19 -","- C360 H368 Gd8 N56 O152 -","8","1","","Henkelis, James J.; Ronson, Tanya K.; Hardie, Michaele J.","Lanthanide coordination polymers with pyridyl-N-oxide or carboxylate functionalised host ligands","CrystEngComm","2014","16","18","3688","","10.1039/c3ce40776d","","","0.71073","MoKα","","0.1437","0.0698","","","0.1808","0.2194","","","","","","1.005","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214341","12.7326","0.0012","16.1047","0.0013","19.7002","0.0017","103.648","0.002","91.582","0.003","94.159","0.003","3911","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","[Chlorotrisdimethylformamide{(±)-2,7,12-trimethoxy- 3,8,13-tris(4-N-oxide-pyridyloxy)-10,15-dihydro-5H- tribenzo[a,d,g]cyclononatriene}samarium(III) pentachlorodimethylformamidesamariumate(III) dimethylformamide","","- C61.5 H78.5 Cl6 N9.5 O18.5 Sm2 -","- C61.5 H78.5 Cl6 N9.5 O18.5 Sm2 -","- C123 H157 Cl12 N19 O37 Sm4 -","2","1","","Henkelis, James J.; Ronson, Tanya K.; Hardie, Michaele J.","Lanthanide coordination polymers with pyridyl-N-oxide or carboxylate functionalised host ligands","CrystEngComm","2014","16","18","3688","","10.1039/c3ce40776d","","","0.71073","MoKα","","0.0773","0.0504","","","0.1334","0.1494","","","","","","1.034","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7214342","14.2284","0.001","14.7501","0.0011","16.4083","0.0012","76.082","0.004","70.013","0.003","61.718","0.003","2837","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","[Aquodimethylformamide{(±)-2,7,12-Trimethoxy-3,8,13-tris(4- phenylcarboxylic acid methoxy)-10,15-dihydro-5H- tribenzo[a,d,g] cyclononatriene}europium(III) dimethylformamide hydrate","","- C55.5 H60.5 Eu N2.5 O16.5 -","- C55.5 H56.5 Eu N2.5 O16.5 -","- C111 H113 Eu2 N5 O33 -","2","1","","Henkelis, James J.; Ronson, Tanya K.; Hardie, Michaele J.","Lanthanide coordination polymers with pyridyl-N-oxide or carboxylate functionalised host ligands","CrystEngComm","2014","16","18","3688","","10.1039/c3ce40776d","","","0.71073","MoKα","","0.073","0.0701","","","0.1929","0.1947","","","","","","1.166","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7214343","9.1779","0.0004","23.8787","0.0013","7.9118","0.0004","90","","91.095","0.002","90","","1733.6","0.15","123","2","120.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C40 H40 N8 -","- C40 H40 N8 -","- C80 H80 N16 -","2","0.5","","Hawes, Chris S.; Batten, Stuart R.; Turner, David R.","Self-assembly of discrete and polymeric metallosupramolecular architectures from cyclen-derived ligands","CrystEngComm","2014","16","18","3737","","10.1039/c3ce42141d","","","0.71073","MoKα","","0.0869","0.0538","","","0.1085","0.1228","","","","","","1.036","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214344","21.933","0.004","8.719","0.0017","20.64","0.004","90","","101.83","0.03","90","","3863.2","1.3","100","2","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H50 Cl2 N4 O10 -","- C40 H50 Cl2 N4 O10 -","- C160 H200 Cl8 N16 O40 -","4","0.5","","Hawes, Chris S.; Batten, Stuart R.; Turner, David R.","Self-assembly of discrete and polymeric metallosupramolecular architectures from cyclen-derived ligands","CrystEngComm","2014","16","18","3737","","10.1039/c3ce42141d","","","0.7108","Synchrotron","","0.056","0.0532","","","0.1346","0.1374","","","","","","1.07","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214345","9.362","0.0019","15.871","0.003","25.586","0.005","90","","96.64","0.03","90","","3776.2","1.3","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C80 H80 Ag2 Cl2 N16 O8 -","- C80 H80 Ag2 Cl2 N16 O8 -","- C160 H160 Ag4 Cl4 N32 O16 -","2","0.5","","Hawes, Chris S.; Batten, Stuart R.; Turner, David R.","Self-assembly of discrete and polymeric metallosupramolecular architectures from cyclen-derived ligands","CrystEngComm","2014","16","18","3737","","10.1039/c3ce42141d","","","0.7108","Synchrotron","","0.0476","0.0403","","","0.1088","0.1136","","","","","","1.032","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214346","16.298","0.002","16.298","0.002","30.945","0.006","90","","90","","90","","8220","2","100","2","100","","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C80 H88 Cl6 N8 Ni3 O16 -","- C80 H88 Cl6 N8 Ni3 O16 -","- C320 H352 Cl24 N32 Ni12 O64 -","4","","","Hawes, Chris S.; Batten, Stuart R.; Turner, David R.","Self-assembly of discrete and polymeric metallosupramolecular architectures from cyclen-derived ligands","CrystEngComm","2014","16","18","3737","","10.1039/c3ce42141d","","","0.7108","Synchrotron","","0.073","0.0651","","","0.1798","0.1867","","","","","","1.11","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214347","16.353","0.002","16.353","0.002","30.894","0.006","90","","90","","90","","8262","2","100","2","100","","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C80 H88 Cl6 Co3 N8 O16 -","- C80 H88 Cl6 Co3 N8 O16 -","- C320 H352 Cl24 Co12 N32 O64 -","4","","","Hawes, Chris S.; Batten, Stuart R.; Turner, David R.","Self-assembly of discrete and polymeric metallosupramolecular architectures from cyclen-derived ligands","CrystEngComm","2014","16","18","3737","","10.1039/c3ce42141d","","","0.7108","Synchrotron","","0.0876","0.0782","","","0.2101","0.2185","","","","","","1.07","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214348","35.258","0.005","8.7597","0.0015","29.409","0.004","90","","90","","90","","9083","2","123","2","123","","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C84 H106 Cl6 Cu5 N8 O23 -","- C84 H96 Cl6 Cu5 N8 O22.96 -","- C336 H384 Cl24 Cu20 N32 O91.84 -","4","0.25","","Hawes, Chris S.; Batten, Stuart R.; Turner, David R.","Self-assembly of discrete and polymeric metallosupramolecular architectures from cyclen-derived ligands","CrystEngComm","2014","16","18","3737","","10.1039/c3ce42141d","","","0.71073","MoKα","","0.1302","0.0754","","","0.1963","0.2311","","","","","","1.032","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214349","7.4198","0.0001","9.8609","0.0001","14.6526","0.0002","90","","90.3167","0.0005","90","","1072.05","0.02","150","","150","","","","","","","","synthesized","4","P 1 21/m 1","-P 2yb","11","","","","- C13 H12 Fe N2 -","- C13 H12 Fe N2 -","- C52 H48 Fe4 N8 -","4","1","","Caballero, Antonio; White, Nicholas G.; Beer, Paul D.","A ferrocene imidazolium-based macrocycle as an electrochemical chemosensor for halide anions","CrystEngComm","2014","16","18","3694","","10.1039/c3ce41851k","","","0.71073","MoKα","","0.0656","0.0358","","0.1085","0.0792","0.1085","","","","","","1.0157","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214350","12.2315","0.0001","12.4402","0.0002","14.9115","0.0002","95.1399","0.0005","101.642","0.0006","117.665","0.0007","1923.8","0.05","150","","150","","","","","","","","synthesized","6","P -1","-P 1","2","","","","- C43 H42 Fe2 I2 N4 O -","- C43 H42 Fe2 I2 N4 O -","- C86 H84 Fe4 I4 N8 O2 -","2","1","","Caballero, Antonio; White, Nicholas G.; Beer, Paul D.","A ferrocene imidazolium-based macrocycle as an electrochemical chemosensor for halide anions","CrystEngComm","2014","16","18","3694","","10.1039/c3ce41851k","","","0.71073","MoKα","","0.036","0.0267","","0.075","0.0656","0.075","","","","","","0.8707","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214351","14.943","0.0006","17.0436","0.0007","26.1853","0.0011","101.948","0.002","97.566","0.002","111.014","0.002","5933.7","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","CVT-53-B2 bromo pentyl ethylene cavitand","","- C122 H151 Br8 N5 O16 -","- C122 H151 Br8 N5 O16 -","- C244 H302 Br16 N10 O32 -","2","1","","Aakeröy, Christer B.; Chopade, Prashant D.; Quinn, Colette F.; Desper, John","Structure and thermodynamics of a multimeric cavitand assembly","CrystEngComm","2014","16","18","3796","","10.1039/c3ce42447b","","","0.71073","MoKα","","0.0487","0.0337","","","0.0843","0.0906","","","","","","0.989","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214352","12.7536","0.0006","13.7525","0.0007","24.5901","0.0012","105.279","0.002","95.784","0.002","102.12","0.002","4011.7","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","CJ-1 ethano 3-pyridyl CVT, (ethanol)9","","- C170 H222 N8 O25 -","- C170 H222 N8 O25 -","- C170 H222 N8 O25 -","1","0.5","","Aakeröy, Christer B.; Chopade, Prashant D.; Quinn, Colette F.; Desper, John","Structure and thermodynamics of a multimeric cavitand assembly","CrystEngComm","2014","16","18","3796","","10.1039/c3ce42447b","","","0.71073","MoKα","","0.1515","0.0963","","","0.2796","0.3349","","","","","","1.038","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214353","13.321","0.0009","52.697","0.004","16.3401","0.0011","90","","109.773","0.003","90","","10794.1","1.3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","P-1-5 [tetra(3-pyridyl) CVT]2, (4-NO2-PhCOOH)8 (PhNO2)5 (H2 O)2","","- C238 H237 N21 O60 -","- C238 H237 N21 O60 -","- C476 H474 N42 O120 -","2","0.5","","Aakeröy, Christer B.; Chopade, Prashant D.; Quinn, Colette F.; Desper, John","Structure and thermodynamics of a multimeric cavitand assembly","CrystEngComm","2014","16","18","3796","","10.1039/c3ce42447b","","","1.54178","CuKα","","0.0755","0.0629","","","0.1685","0.1806","","","","","","1.056","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214354","15.7322","0.0004","24.0717","0.0007","41.3778","0.0012","90","","90","","90","","15669.8","0.8","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C148.7 H226.7 N8.7 O42.1 -","- C149.17 H225.31 N8.68 O42.27 -","- C596.68 H901.24 N34.72 O169.08 -","4","1","","Wierzbicki, Michał; Gilski, Mirosław; Rissanen, Kari; Jaskólski, Mariusz; Szumna, Agnieszka","Experiences with applications of macromolecular tools in supramolecular crystallography","CrystEngComm","2014","16","18","3773","","10.1039/c3ce42288g","","","1.54178","CuKα","","0.1037","0.0995","","","0.2487","0.2519","","","","","","1.161","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7214355","15.7322","0.0004","24.0717","0.0007","41.3778","0.0012","90","","90","","90","","15669.8","0.8","148","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C133.5 H197 N8 O37.5 -","- C133.5 H197 N8 O37.5 -","- C534 H788 N32 O150 -","4","1","","Wierzbicki, Michał; Gilski, Mirosław; Rissanen, Kari; Jaskólski, Mariusz; Szumna, Agnieszka","Experiences with applications of macromolecular tools in supramolecular crystallography","CrystEngComm","2014","16","18","3773","","10.1039/c3ce42288g","","","1.54178","CuKα","","0.0815","0.0757","","","0.1964","0.201","","","","","","1.055","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214356","22.0457","0.0007","22.4594","0.0007","23.5621","0.0008","65.687","0.002","82.024","0.002","74.965","0.002","10261","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C436 H556 Cu24 O96 -","- C384 H477 Cu24 O105.5 -","- C384 H477 Cu24 O105.5 -","1","0.5","","Kumari, Harshita; Mossine, Andrew V.; Schuster, Nathaniel J.; Barnes, Charles L.; Deakyne, Carol A.; Atwood, Jerry L.","Packing arrangements of copper-seamed C-alkylpyrogallol[4]arene nanocapsules with varying chain lengths","CrystEngComm","2014","16","18","3718","","10.1039/c3ce42412j","","","1.54178","CuKα","","0.1057","0.0903","","","0.2578","0.2783","","","","","","1.016","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214357","13.595","0.005","3.71","0.002","24.063","0.009","90","","100.08","0.018","90","","1194.9","0.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1:1 pico:sal","","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C52 H48 N8 O16 -","4","1","","Chan, H. C. Stephen; Woollam, Grahame R.; Wagner, Trixie; Schmidt, Martin U.; Lewis, Richard A.","Can picolinamide be a promising cocrystal former?","CrystEngComm","2014","16","21","4365","","10.1039/c4ce00265b","","","1.54178","CuKα","","0.0612","0.0573","","","0.1221","0.1265","","","","","","1.201","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214358","32.561","0.01","5.078","0.002","20.831","0.006","90","","105.811","0.013","90","","3314","1.9","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","2:1 pico:succ","","","- C16 H18 N4 O6 -","- C16 H18 N4 O6 -","- C128 H144 N32 O48 -","8","1","","Chan, H. C. Stephen; Woollam, Grahame R.; Wagner, Trixie; Schmidt, Martin U.; Lewis, Richard A.","Can picolinamide be a promising cocrystal former?","CrystEngComm","2014","16","21","4365","","10.1039/c4ce00265b","","","1.54178","CuKα","","0.0471","0.0422","","","0.096","0.1006","","","","","","0.92","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214359","8.479","0.003","4.979","0.002","19.167","0.007","90","","90.083","0.018","90","","809.2","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2:1 pico:fum","","","- C8 H8 N2 O3 -","- C8 H8 N2 O3 -","- C32 H32 N8 O12 -","4","1","","Chan, H. C. Stephen; Woollam, Grahame R.; Wagner, Trixie; Schmidt, Martin U.; Lewis, Richard A.","Can picolinamide be a promising cocrystal former?","CrystEngComm","2014","16","21","4365","","10.1039/c4ce00265b","","","1.54178","CuKα","","0.051","0.0465","","","0.1055","0.1093","","","","","","1.2","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214360","7.546","0.002","11.745","0.003","10.595","0.003","90","","90.21","0.013","90","","939","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2:1 pico:adi","","","- C9 H11 N2 O3 -","- C9 H11 N2 O3 -","- C36 H44 N8 O12 -","4","1","","Chan, H. C. Stephen; Woollam, Grahame R.; Wagner, Trixie; Schmidt, Martin U.; Lewis, Richard A.","Can picolinamide be a promising cocrystal former?","CrystEngComm","2014","16","21","4365","","10.1039/c4ce00265b","","","1.54178","CuKα","","0.0342","0.031","","","0.0824","0.0855","","","","","","1.092","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214361","7.006","0.002","20.51","0.006","9.125","0.003","90","","106.06","0.02","90","","1260","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1:1 pico:adi","","","- C12 H16 N2 O5 -","- C12 H16 N2 O5 -","- C48 H64 N8 O20 -","4","1","","Chan, H. C. Stephen; Woollam, Grahame R.; Wagner, Trixie; Schmidt, Martin U.; Lewis, Richard A.","Can picolinamide be a promising cocrystal former?","CrystEngComm","2014","16","21","4365","","10.1039/c4ce00265b","","","1.54178","CuKα","","0.0419","0.0334","","","0.0946","0.1083","","","","","","0.498","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214362","21.95","0.02","5.22","0.007","17.26","0.019","90","","118.86","0.05","90","","1732","3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","2:1 pico:glu","","","- C8.5 H10 N2 O3 -","- C8.5 H10 N2 O3 -","- C68 H80 N16 O24 -","8","1","","Chan, H. C. Stephen; Woollam, Grahame R.; Wagner, Trixie; Schmidt, Martin U.; Lewis, Richard A.","Can picolinamide be a promising cocrystal former?","CrystEngComm","2014","16","21","4365","","10.1039/c4ce00265b","","","1.54178","CuKα","","0.0838","0.0692","","","0.1777","0.1953","","","","","","1.032","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214363","5.287","0.001","11.163","0.002","19.899","0.004","90","","96.704","0.009","90","","1166.4","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","pico form I","","","- C6 H6 N2 O -","- C6 H6 N2 O -","- C48 H48 N16 O8 -","8","2","","Chan, H. C. Stephen; Woollam, Grahame R.; Wagner, Trixie; Schmidt, Martin U.; Lewis, Richard A.","Can picolinamide be a promising cocrystal former?","CrystEngComm","2014","16","21","4365","","10.1039/c4ce00265b","","","1.54178","CuKα","","0.0455","0.0391","","","0.0987","0.1031","","","","","","1.084","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214364","5.39","0.002","9.897","0.003","24.214","0.006","90","","90.699","0.013","90","","1291.6","0.7","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","1:1 pico:man","","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C56 H56 N8 O16 -","4","2","","Chan, H. C. Stephen; Woollam, Grahame R.; Wagner, Trixie; Schmidt, Martin U.; Lewis, Richard A.","Can picolinamide be a promising cocrystal former?","CrystEngComm","2014","16","21","4365","","10.1039/c4ce00265b","","","1.54178","CuKα","","0.0287","0.0271","","","0.0695","0.0708","","","","","","1.066","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214365","5.166","0.001","7.666","0.002","13.086","0.003","74.73","0.011","81.423","0.012","77.409","0.013","485.6","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","1:1 pico:mal","","","- C9 H10 N2 O5 -","- C9 H10 N2 O5 -","- C18 H20 N4 O10 -","2","1","","Chan, H. C. Stephen; Woollam, Grahame R.; Wagner, Trixie; Schmidt, Martin U.; Lewis, Richard A.","Can picolinamide be a promising cocrystal former?","CrystEngComm","2014","16","21","4365","","10.1039/c4ce00265b","","","1.54178","CuKα","","0.0335","0.0315","","","0.0859","0.088","","","","","","1.052","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214366","8.161","0.003","19.967","0.006","14.987","0.005","90","","95.599","0.006","90","","2430.5","1.4","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Methyl 16-[N'-(Pyridin-2-ylcarbonyl)hydrazono]- ent-beyeran-19-oate","","- C27 H37 N3 O3 -","- C27 H37 N3 O3 -","- C108 H148 N12 O12 -","4","2","","Lodochnikova, Olga; Dobrynin, Alexey B.; Andreeva, Olga V.; Strobykina, Irina Yu; Kataev, Vladimir E.; Litvinov, Igor","Z’=2 crystallization of the three isomeric piridinoylhydrazone derivatives of isosteviol: Inclusion of an “extra” molecule in a unitcell as a “cost” of transferring a robust mirror-symmetrical H-bonding motif from an racemic environment into a homochiral one","CrystEngComm","2014","","","","","10.1039/c4ce00173g","","","0.71073","MoKα","","0.0518","0.0424","","","0.0924","0.0976","","","","","","1.028","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214367","8.1092","0.0002","19.7095","0.0007","15.5832","0.0005","90","","93.14","0.002","90","","2486.9","0.13","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Methyl 16-[N'-(pyridin-4-ylcarbonyl)hydrazono]- ent-beyeran-19-oate","","- C27 H37 N3 O3 -","- C27 H37 N3 O3 -","- C108 H148 N12 O12 -","4","2","","Lodochnikova, Olga; Dobrynin, Alexey B.; Andreeva, Olga V.; Strobykina, Irina Yu; Kataev, Vladimir E.; Litvinov, Igor","Z’=2 crystallization of the three isomeric piridinoylhydrazone derivatives of isosteviol: Inclusion of an “extra” molecule in a unitcell as a “cost” of transferring a robust mirror-symmetrical H-bonding motif from an racemic environment into a homochiral one","CrystEngComm","2014","","","","","10.1039/c4ce00173g","","","1.54178","CuKα","","0.0382","0.035","","","0.09","0.0931","","","","","","1.031","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214368","7.966","0.003","19.688","0.006","15.559","0.005","90","","92.608","0.005","90","","2437.7","1.4","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Methyl 16-[N'-(pyridin-3-ylcarbonyl)hydrazono]- ent-beyeran-19-oate","","- C27 H37 N3 O3 -","- C27 H37 N3 O3 -","- C108 H148 N12 O12 -","4","2","","Lodochnikova, Olga; Dobrynin, Alexey B.; Andreeva, Olga V.; Strobykina, Irina Yu; Kataev, Vladimir E.; Litvinov, Igor","Z’=2 crystallization of the three isomeric piridinoylhydrazone derivatives of isosteviol: Inclusion of an “extra” molecule in a unitcell as a “cost” of transferring a robust mirror-symmetrical H-bonding motif from an racemic environment into a homochiral one","CrystEngComm","2014","","","","","10.1039/c4ce00173g","","","0.71073","MoKα","","0.2761","0.0773","","","0.1141","0.1777","","","","","","0.93","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214369","8.015","0.002","19.658","0.005","15.418","0.004","90","","93.118","0.004","90","","2425.6","1.1","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Methyl 16-[N'-(pyridin-4-ylcarbonyl)hydrazono]- ent-beyeran-19-oate","","- C27 H37 N3 O3 -","- C27 H37 N3 O3 -","- C108 H148 N12 O12 -","4","2","","Lodochnikova, Olga; Dobrynin, Alexey B.; Andreeva, Olga V.; Strobykina, Irina Yu; Kataev, Vladimir E.; Litvinov, Igor","Z’=2 crystallization of the three isomeric piridinoylhydrazone derivatives of isosteviol: Inclusion of an “extra” molecule in a unitcell as a “cost” of transferring a robust mirror-symmetrical H-bonding motif from an racemic environment into a homochiral one","CrystEngComm","2014","","","","","10.1039/c4ce00173g","","","0.71073","MoKα","","0.1287","0.0696","","","0.1238","0.1522","","","","","","0.966","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214370","8.2469","0.0006","20.1562","0.0015","15.1218","0.0011","90","","95.938","0.001","90","","2500.2","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Methyl 16-[N'-(Pyridin-2-ylcarbonyl)hydrazono]- ent-beyeran-19-oate","","- C27 H37 N3 O3 -","- C27 H37 N3 O3 -","- C108 H148 N12 O12 -","4","2","","Lodochnikova, Olga; Dobrynin, Alexey B.; Andreeva, Olga V.; Strobykina, Irina Yu; Kataev, Vladimir E.; Litvinov, Igor","Z’=2 crystallization of the three isomeric piridinoylhydrazone derivatives of isosteviol: Inclusion of an “extra” molecule in a unitcell as a “cost” of transferring a robust mirror-symmetrical H-bonding motif from an racemic environment into a homochiral one","CrystEngComm","2014","","","","","10.1039/c4ce00173g","","","0.71073","MoKα","","0.0773","0.0443","","","0.0964","0.1106","","","","","","1.012","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214371","8.116","0.009","19.78","0.02","15.801","0.018","90","","92.685","0.015","90","","2534","5","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Methyl 16-[N'-(pyridin-3-ylcarbonyl)hydrazono]- ent-beyeran-19-oate","","- C27 H37 N3 O3 -","- C27 H37 N3 O3 -","- C108 H148 N12 O12 -","4","2","","Lodochnikova, Olga; Dobrynin, Alexey B.; Andreeva, Olga V.; Strobykina, Irina Yu; Kataev, Vladimir E.; Litvinov, Igor","Z’=2 crystallization of the three isomeric piridinoylhydrazone derivatives of isosteviol: Inclusion of an “extra” molecule in a unitcell as a “cost” of transferring a robust mirror-symmetrical H-bonding motif from an racemic environment into a homochiral one","CrystEngComm","2014","","","","","10.1039/c4ce00173g","","","0.71073","MoKα","","0.3908","0.0816","","","0.109","0.1962","","","","","","0.904","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214372","19.2271","0.0004","19.2271","0.0004","10.2751","0.0002","90","","90","","120","","3289.61","0.12","298","2","296","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- C24 H30 N4 O3 -","- C24 H30 N4 O3 -","- C144 H180 N24 O18 -","6","0.333333","","Hoque, Md. Najbul; Das, Gopal","Hydrated anion glued capsular and non-capsular assembly of a tripodal host: Solid state recognition of bromide‒water [Br5‒(H2O)6]5− and iodide‒water [I2‒(H2O)4]2− clusters in cationic tripodal receptor","CrystEngComm","2014","16","21","4447","","10.1039/c4ce00149d","","","0.71073","MoKα","","0.0379","0.0349","","","0.1059","0.1095","","","","","","0.906","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214373","23.2013","0.0012","11.1503","0.0004","24.7773","0.001","90","","114.561","0.006","90","","5829.9","0.5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H44 F4 N4 O8 -","- C24 H44 F4 N4 O8 -","- C192 H352 F32 N32 O64 -","8","1","","Hoque, Md. Najbul; Das, Gopal","Hydrated anion glued capsular and non-capsular assembly of a tripodal host: Solid state recognition of bromide‒water [Br5‒(H2O)6]5− and iodide‒water [I2‒(H2O)4]2− clusters in cationic tripodal receptor","CrystEngComm","2014","16","21","4447","","10.1039/c4ce00149d","","","0.71073","MoKα","","0.1039","0.078","","","0.2311","0.2563","","","","","","0.98","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214374","12.7399","0.0008","12.7399","0.0008","62.039","0.005","90","","90","","120","","8720.2","1","298","2","298","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C24 H34 Cl4 N4 O3 -","- C24 H34 Cl4 N4 O3 -","- C288 H408 Cl48 N48 O36 -","12","0.333333","","Hoque, Md. Najbul; Das, Gopal","Hydrated anion glued capsular and non-capsular assembly of a tripodal host: Solid state recognition of bromide‒water [Br5‒(H2O)6]5− and iodide‒water [I2‒(H2O)4]2− clusters in cationic tripodal receptor","CrystEngComm","2014","16","21","4447","","10.1039/c4ce00149d","","","0.71073","MoKα","","0.0715","0.0478","","","0.1313","0.1497","","","","","","1.004","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214375","11.4963","0.0006","12.2339","0.0006","13.0811","0.0008","111.373","0.005","113.194","0.005","94.457","0.004","1521.27","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H39 Cl4 N4 O5.5 -","- C24 H38 Cl4 N4 O5.5 -","- C48 H76 Cl8 N8 O11 -","2","1","","Hoque, Md. Najbul; Das, Gopal","Hydrated anion glued capsular and non-capsular assembly of a tripodal host: Solid state recognition of bromide‒water [Br5‒(H2O)6]5− and iodide‒water [I2‒(H2O)4]2− clusters in cationic tripodal receptor","CrystEngComm","2014","16","21","4447","","10.1039/c4ce00149d","","","0.71073","MoKα","","0.0682","0.0492","","","0.1656","0.2006","","","","","","0.69","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7214376","12.6464","0.0004","11.5355","0.0004","24.2735","0.0008","90","","104.935","0.002","90","","3421.5","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H44 Br4 N4 O8 -","- C24 H43 Br4 N4 O8 -","- C96 H172 Br16 N16 O32 -","4","1","","Hoque, Md. Najbul; Das, Gopal","Hydrated anion glued capsular and non-capsular assembly of a tripodal host: Solid state recognition of bromide‒water [Br5‒(H2O)6]5− and iodide‒water [I2‒(H2O)4]2− clusters in cationic tripodal receptor","CrystEngComm","2014","16","21","4447","","10.1039/c4ce00149d","","","0.71073","MoKα","","0.0545","0.0353","","","0.1029","0.1205","","","","","","0.887","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214377","12.6814","0.0006","13.0383","0.0006","20.9938","0.001","75.377","0.002","87.245","0.002","88.453","0.002","3354.5","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H37.5 I4 N4 O4.75 -","- C24 H36 I4 N4 O4.75 -","- C96 H144 I16 N16 O19 -","4","2","","Hoque, Md. Najbul; Das, Gopal","Hydrated anion glued capsular and non-capsular assembly of a tripodal host: Solid state recognition of bromide‒water [Br5‒(H2O)6]5− and iodide‒water [I2‒(H2O)4]2− clusters in cationic tripodal receptor","CrystEngComm","2014","16","21","4447","","10.1039/c4ce00149d","","","0.71073","MoKα","","0.0965","0.0677","","","0.1751","0.1946","","","","","","1.112","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7214378","13.656","0.007","23.854","0.014","35.19","0.02","107.825","0.009","90.226","0.012","96.903","0.004","10824","10","113.15","","113.15","","","","","","","","","6","P -1","-P 1","2","","","","- C176 H231 N16 O85.5 P12 Zn18 -","- C176 H180 N16 O85.5 P12 Zn18 -","- C352 H360 N32 O171 P24 Zn36 -","2","1","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","New 2D zinc phosphonates with heptanuclear units, reversible dehydration‒hydration and bright luminescence","CrystEngComm","2014","16","24","5387","","10.1039/c4ce00322e","","","0.71073","MoKα","","0.1026","0.0811","","","0.19","0.2047","","","","","","1.032","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7214379","14.909","0.005","18.496","0.006","21.715","0.007","90","","99.53","0.005","90","","5905","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C92 H124 N12 O40 P6 Zn9 -","- C92 H104 N12 O40 P6 Zn9 -","- C184 H208 N24 O80 P12 Zn18 -","2","0.5","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","New 2D zinc phosphonates with heptanuclear units, reversible dehydration‒hydration and bright luminescence","CrystEngComm","2014","16","24","5387","","10.1039/c4ce00322e","","","0.71073","MoKα","","0.0513","0.044","","","0.127","0.1351","","","","","","1.133","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214380","8.0715","0.0007","16","0.0015","3.5454","0.0003","90","","101.255","0.001","90","","449.06","0.07","296","2","296","2","","","","","","","","4","C 1 m 1","C -2y","8","","","","- B3 Ca4.01 O10 Tb0.99 -","- B3 Ca3.954 O10 Tb1.046 -","- B6 Ca7.908 O20 Tb2.092 -","2","0.5","","Yuan, Dongsheng; Jia, Zhitai; Wang, Jian; Gao, Zeliang; Zhang, Junjie; Fu, Xiuwei; Shu, Jun; Yin, Yanru; Hu, Qiangqiang; Tao, Xutang","Bulk growth, structure, and characterization of the new monoclinic TbCa4O(BO3)3 crystal","CrystEngComm","2014","16","19","4008","","10.1039/c4ce00051j","","","0.71073","MoKα","","0.0327","0.0305","","","0.0838","0.0792","","","","","","1.468","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214381","8.8213","0.0018","9.1383","0.0018","13.398","0.003","86.62","0.03","89.74","0.03","74.37","0.03","1038.2","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H14 Cd N2 O13 S Sm -","- C15 H12 Cd N2 O13 S Sm -","- C30 H24 Cd2 N4 O26 S2 Sm2 -","2","1","","Sun, Yan-Qiong; Liu, Qi; Zhou, Liang-Liang; Chen, Yi-Ping","Ln‒Cd heterometal organic‒inorganic hybrid materials based on diverse Ln‒Cd oxo-cluster chains: syntheses, structures and visible luminescence","CrystEngComm","2014","16","19","3986","","10.1039/c3ce42278j","","","0.71073","MoKα","","0.0677","0.066","","","0.182","0.1845","","","","","","1.097","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214382","8.6945","0.0017","8.9967","0.0018","13.246","0.003","86.66","0.03","89.75","0.03","74.51","0.03","996.7","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H14 Cd Eu N2 O13 S -","- C15 H14 Cd Eu N2 O13 S -","- C30 H28 Cd2 Eu2 N4 O26 S2 -","2","1","","Sun, Yan-Qiong; Liu, Qi; Zhou, Liang-Liang; Chen, Yi-Ping","Ln‒Cd heterometal organic‒inorganic hybrid materials based on diverse Ln‒Cd oxo-cluster chains: syntheses, structures and visible luminescence","CrystEngComm","2014","16","19","3986","","10.1039/c3ce42278j","","","0.71073","MoKα","","0.0571","0.0471","","","0.1224","0.1345","","","","","","1.101","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214383","9.6399","0.0019","9.924","0.002","22.078","0.004","90","","91.64","0.03","90","","2111.3","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 Cd2 Eu N4 O13 -","- C14 H13 Cd2 Eu N4 O13 -","- C56 H52 Cd8 Eu4 N16 O52 -","4","1","","Sun, Yan-Qiong; Liu, Qi; Zhou, Liang-Liang; Chen, Yi-Ping","Ln‒Cd heterometal organic‒inorganic hybrid materials based on diverse Ln‒Cd oxo-cluster chains: syntheses, structures and visible luminescence","CrystEngComm","2014","16","19","3986","","10.1039/c3ce42278j","","","0.71073","MoKα","","0.0366","0.0298","","","0.069","0.072","","","","","","0.997","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214384","6.052","0.006","4.919","0.005","36.98","0.03","90","","94.115","0.004","90","","1098","1.8","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H9 N3 O -","- C14 H9 N3 O -","- C56 H36 N12 O4 -","4","1","","Mutai, Toshiki; Shono, Hideaki; Shigemitsu, Yasuhiro; Araki, Koji","Three-color polymorph-dependent luminescence: crystallographic analysis and theoretical study on excited-state intramolecular proton transfer (ESIPT) luminescence of cyano-substituted imidazo[1,2-a]pyridine","CrystEngComm","2014","16","19","3890","","10.1039/c3ce42627k","","","0.7107","MoKα","","0.1193","0.0754","","","0.191","0.2201","","","","","","0.938","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214385","13.654","0.006","7.343","0.003","14.2","0.006","90","","130.054","0.002","90","","1089.8","0.8","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H9 N3 O -","- C14 H9 N3 O -","- C56 H36 N12 O4 -","4","1","","Mutai, Toshiki; Shono, Hideaki; Shigemitsu, Yasuhiro; Araki, Koji","Three-color polymorph-dependent luminescence: crystallographic analysis and theoretical study on excited-state intramolecular proton transfer (ESIPT) luminescence of cyano-substituted imidazo[1,2-a]pyridine","CrystEngComm","2014","16","19","3890","","10.1039/c3ce42627k","","","0.7107","MoKα","","0.0416","0.0334","","","0.0922","0.0963","","","","","","1.097","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214386","3.8196","0.001","11.356","0.003","25.246","0.007","90","","93.196","0.001","90","","1093.4","0.5","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H9 N3 O -","- C14 H9 N3 O -","- C56 H36 N12 O4 -","4","1","","Mutai, Toshiki; Shono, Hideaki; Shigemitsu, Yasuhiro; Araki, Koji","Three-color polymorph-dependent luminescence: crystallographic analysis and theoretical study on excited-state intramolecular proton transfer (ESIPT) luminescence of cyano-substituted imidazo[1,2-a]pyridine","CrystEngComm","2014","16","19","3890","","10.1039/c3ce42627k","","","0.7107","MoKα","","0.0706","0.0591","","","0.1298","0.1328","","","","","","0.929","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214387","6.9166","0.0001","8.1526","0.0005","19.4288","0.0011","83.25","0.005","84.511","0.003","71.107","0.003","1027.41","0.09","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C28 H32 As F6 S16 -","- C28 H32 As F6 S16 -","- C28 H32 As F6 S16 -","1","1","","Yang, Songjie; Pop, Flavia; Melan, Caroline; Brooks, Andrew C.; Martin, Lee; Horton, Peter; Auban-Senzier, Pascale; Rikken, Geert L. J. A.; Avarvari, Narcis; Wallis, John D.","Charge transfer complexes and radical cation salts of chiral methylated organosulfur donors","CrystEngComm","2014","16","19","3906","","10.1039/c3ce42539h","","","0.71073","MoKα","","0.0588","0.0418","","","0.0941","0.1021","","","","","","1.078","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214388","6.9129","0.0005","8.1497","0.0003","19.4274","0.0009","83.261","0.005","84.544","0.005","71.107","0.004","1026.48","0.1","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C28 H32 As F6 S16 -","- C28 H32 As F6 S16 -","- C28 H32 As F6 S16 -","1","1","","Yang, Songjie; Pop, Flavia; Melan, Caroline; Brooks, Andrew C.; Martin, Lee; Horton, Peter; Auban-Senzier, Pascale; Rikken, Geert L. J. A.; Avarvari, Narcis; Wallis, John D.","Charge transfer complexes and radical cation salts of chiral methylated organosulfur donors","CrystEngComm","2014","16","19","3906","","10.1039/c3ce42539h","","","0.71073","MoKα","","0.0468","0.0376","","","0.0912","0.0962","","","","","","1.044","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214389","6.8912","0.0003","8.1537","0.0004","19.392","0.0006","83.68","0.003","84.452","0.004","70.835","0.003","1020.84","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H32 As F6 S16 -","- C28 H32 As F6 S16 -","- C28 H32 As F6 S16 -","1","0.5","","Yang, Songjie; Pop, Flavia; Melan, Caroline; Brooks, Andrew C.; Martin, Lee; Horton, Peter; Auban-Senzier, Pascale; Rikken, Geert L. J. A.; Avarvari, Narcis; Wallis, John D.","Charge transfer complexes and radical cation salts of chiral methylated organosulfur donors","CrystEngComm","2014","16","19","3906","","10.1039/c3ce42539h","","","0.71073","MoKα","","0.0529","0.0389","","","0.0951","0.1013","","","","","","1.03","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7214390","6.8834","0.0005","8.2494","0.0004","19.4622","0.0013","84.137","0.006","84.642","0.006","71.382","0.005","1039.66","0.12","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C28 H32 F6 S16 Sb -","- C28 H32 F6 S16 Sb -","- C28 H32 F6 S16 Sb -","1","1","","Yang, Songjie; Pop, Flavia; Melan, Caroline; Brooks, Andrew C.; Martin, Lee; Horton, Peter; Auban-Senzier, Pascale; Rikken, Geert L. J. A.; Avarvari, Narcis; Wallis, John D.","Charge transfer complexes and radical cation salts of chiral methylated organosulfur donors","CrystEngComm","2014","16","19","3906","","10.1039/c3ce42539h","","","0.71073","MoKα","","0.0502","0.039","","","0.0894","0.0948","","","","","","1.041","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214391","6.8792","0.0002","8.2487","0.0004","19.453","0.0012","84.123","0.004","84.581","0.005","71.299","0.003","1037.85","0.09","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C28 H32 F6 S16 Sb -","- C28 H32 F6 S16 Sb -","- C28 H32 F6 S16 Sb -","1","1","","Yang, Songjie; Pop, Flavia; Melan, Caroline; Brooks, Andrew C.; Martin, Lee; Horton, Peter; Auban-Senzier, Pascale; Rikken, Geert L. J. A.; Avarvari, Narcis; Wallis, John D.","Charge transfer complexes and radical cation salts of chiral methylated organosulfur donors","CrystEngComm","2014","16","19","3906","","10.1039/c3ce42539h","","","0.71073","MoKα","","0.0378","0.0332","","","0.0851","0.088","","","","","","1.041","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214392","6.872","0.0006","8.2521","0.0004","19.4369","0.0012","84.441","0.004","84.474","0.005","71.056","0.005","1035.17","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H32 F6 S16 Sb -","- C28 H32 F6 S16 Sb -","- C28 H32 F6 S16 Sb -","1","0.5","","Yang, Songjie; Pop, Flavia; Melan, Caroline; Brooks, Andrew C.; Martin, Lee; Horton, Peter; Auban-Senzier, Pascale; Rikken, Geert L. J. A.; Avarvari, Narcis; Wallis, John D.","Charge transfer complexes and radical cation salts of chiral methylated organosulfur donors","CrystEngComm","2014","16","19","3906","","10.1039/c3ce42539h","","","0.71073","MoKα","","0.04","0.033","","","0.0875","0.0909","","","","","","1.08","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7214393","6.4428","0.0003","13.612","0.002","11.8759","0.0012","90","","91.722","0.005","90","","1041.04","0.19","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","(R)-TMBEDT axial","","","- C14 H16 S8 -","- C14 H16 S8 -","- C28 H32 S16 -","2","1","","Yang, Songjie; Pop, Flavia; Melan, Caroline; Brooks, Andrew C.; Martin, Lee; Horton, Peter; Auban-Senzier, Pascale; Rikken, Geert L. J. A.; Avarvari, Narcis; Wallis, John D.","Charge transfer complexes and radical cation salts of chiral methylated organosulfur donors","CrystEngComm","2014","16","19","3906","","10.1039/c3ce42539h","","","0.71073","MoKα","","0.0733","0.0405","","","0.0926","0.1077","","","","","","1.05","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214394","7.3179","0.0005","7.7876","0.0007","26.499","0.002","85.239","0.003","84.402","0.003","68.304","0.004","1394.67","0.19","150","2","150","2","","","","","","","","4","P 1","P 1","1","","S,S,S,S-TMET.TCNQ (from 1,1,2-trichloroethane)","","- C26 H20 N4 S8 -","- C26 H20 N4 S8 -","- C52 H40 N8 S16 -","2","2","","Yang, Songjie; Pop, Flavia; Melan, Caroline; Brooks, Andrew C.; Martin, Lee; Horton, Peter; Auban-Senzier, Pascale; Rikken, Geert L. J. A.; Avarvari, Narcis; Wallis, John D.","Charge transfer complexes and radical cation salts of chiral methylated organosulfur donors","CrystEngComm","2014","16","19","3906","","10.1039/c3ce42539h","","","0.71073","MoKα","","0.0541","0.0494","","","0.125","0.1287","","","","","","1.063","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214395","7.318","0.0001","7.8325","0.0001","28.2325","0.0006","94.287","0.001","95.535","0.001","110.993","0.001","1493.34","0.04","120","2","120","2","","","","","","","","5","P 1","P 1","1","","S,S,S,S-TMET.TCNQ.0.5THF","","- C56 H48 N8 O S16 -","- C56 H48 N8 O S16 -","- C56 H48 N8 O S16 -","1","1","","Yang, Songjie; Pop, Flavia; Melan, Caroline; Brooks, Andrew C.; Martin, Lee; Horton, Peter; Auban-Senzier, Pascale; Rikken, Geert L. J. A.; Avarvari, Narcis; Wallis, John D.","Charge transfer complexes and radical cation salts of chiral methylated organosulfur donors","CrystEngComm","2014","16","19","3906","","10.1039/c3ce42539h","","","0.71073","MoKα","","0.0493","0.0403","","","0.0834","0.0882","","","","","","1.035","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214396","8.4889","0.0002","13.7156","0.0002","14.0914","0.0003","110.844","0.001","100.807","0.001","107.048","0.001","1385.53","0.05","120","2","120","2","","","","","","","","5","P 1","P 1","1","","S,S,S,S -Tetramethyl-BEDT-TTF.TCNQ-F4 complex","","- C26 H16 F4 N4 S8 -","- C26 H16 F4 N4 S8 -","- C52 H32 F8 N8 S16 -","2","2","","Yang, Songjie; Pop, Flavia; Melan, Caroline; Brooks, Andrew C.; Martin, Lee; Horton, Peter; Auban-Senzier, Pascale; Rikken, Geert L. J. A.; Avarvari, Narcis; Wallis, John D.","Charge transfer complexes and radical cation salts of chiral methylated organosulfur donors","CrystEngComm","2014","16","19","3906","","10.1039/c3ce42539h","","","0.71073","MoKα","","0.0429","0.0367","","","0.0823","0.087","","","","","","1.02","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214397","13.4068","0.0004","5.1484","0.0001","22.4161","0.0006","90","","101.16","0.001","90","","1517.98","0.07","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","S,S,S,S Bis(pentane-2,4-dithio)TTF.tetrafluoro-TCNQ","","- C28 H20 F4 N4 S8 -","- C28 H20 F4 N4 S8 -","- C56 H40 F8 N8 S16 -","2","1","","Yang, Songjie; Pop, Flavia; Melan, Caroline; Brooks, Andrew C.; Martin, Lee; Horton, Peter; Auban-Senzier, Pascale; Rikken, Geert L. J. A.; Avarvari, Narcis; Wallis, John D.","Charge transfer complexes and radical cation salts of chiral methylated organosulfur donors","CrystEngComm","2014","16","19","3906","","10.1039/c3ce42539h","","","0.71073","MoKα","","0.0486","0.0412","","","0.0962","0.1003","","","","","","1.036","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214398","5.6084","0.0004","8.6087","0.0007","27.868","0.002","90","","90.489","0.004","90","","1345.45","0.17","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(ethylenedithio)(2S,4S-pentane-2,4-dithio)TTF. tetrafluoro-TCNQ molecular complex","","- C25 H14 F4 N4 S8 -","- C25 H14 F4 N4 S8 -","- C50 H28 F8 N8 S16 -","2","1","","Yang, Songjie; Pop, Flavia; Melan, Caroline; Brooks, Andrew C.; Martin, Lee; Horton, Peter; Auban-Senzier, Pascale; Rikken, Geert L. J. A.; Avarvari, Narcis; Wallis, John D.","Charge transfer complexes and radical cation salts of chiral methylated organosulfur donors","CrystEngComm","2014","16","19","3906","","10.1039/c3ce42539h","","","0.71073","MoKα","","0.0726","0.0504","","","0.1136","0.1254","","","","","","1.058","","","","has coordinates,has disorder","180474","2020-10-21","18:00:00",""
"7214399","16.397","0.003","18.642","0.003","7.9656","0.0013","90","","90","","90","","2434.9","0.7","291","2","291","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C35 H36 N4 O12 Zn2 -","- C35 H36 N4 O12 Zn2 -","- C70 H72 N8 O24 Zn4 -","2","0.5","","Ju, Zemin; Cao, Dapeng; Qin, Ling; Zhang, Chuanlei; Zhang, Mingdao; Shi, Zhiqiang; Zheng, Hegen","Syntheses, characterization, and properties of five coordination compounds based on the ligand tetrakis(4-pyridyloxymethylene)methane","CrystEngComm","2014","16","19","3917","","10.1039/c3ce42477d","","","0.71073","MoKα","","0.0564","0.0528","","","0.1338","0.1366","","","","","","1.044","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7214400","15.4019","0.001","15.4019","0.001","8.4768","0.0011","90","","90","","90","","2010.9","0.3","293","2","293","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C37 H48 Cu2 N4 O16 -","- C37 H48 Cu2 N4 O16 -","- C74 H96 Cu4 N8 O32 -","2","0.25","","Ju, Zemin; Cao, Dapeng; Qin, Ling; Zhang, Chuanlei; Zhang, Mingdao; Shi, Zhiqiang; Zheng, Hegen","Syntheses, characterization, and properties of five coordination compounds based on the ligand tetrakis(4-pyridyloxymethylene)methane","CrystEngComm","2014","16","19","3917","","10.1039/c3ce42477d","","","0.71073","MoKα","","0.0941","0.0748","","","0.1689","0.1792","","","","","","1.027","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7214401","32.119","0.003","12.8479","0.001","20.8244","0.0016","90","","90","","90","","8593.4","1.2","291","2","291","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C33 H34 N6 O14 Zn2 -","- C33 H34 N6 O14 Zn2 -","- C264 H272 N48 O112 Zn16 -","8","0.5","","Ju, Zemin; Cao, Dapeng; Qin, Ling; Zhang, Chuanlei; Zhang, Mingdao; Shi, Zhiqiang; Zheng, Hegen","Syntheses, characterization, and properties of five coordination compounds based on the ligand tetrakis(4-pyridyloxymethylene)methane","CrystEngComm","2014","16","19","3917","","10.1039/c3ce42477d","","","0.71073","MoKα","","0.0612","0.056","","","0.1495","0.1509","","","","","","1.063","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7214402","17.334","0.002","9.2474","0.001","20.562","0.002","90","","108.815","0.004","90","","3119.9","0.6","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H32 N4 Ni O12 -","- C29 H32 N4 Ni O12 -","- C116 H128 N16 Ni4 O48 -","4","0.5","","Ju, Zemin; Cao, Dapeng; Qin, Ling; Zhang, Chuanlei; Zhang, Mingdao; Shi, Zhiqiang; Zheng, Hegen","Syntheses, characterization, and properties of five coordination compounds based on the ligand tetrakis(4-pyridyloxymethylene)methane","CrystEngComm","2014","16","19","3917","","10.1039/c3ce42477d","","","0.71073","MoKα","","0.0453","0.0427","","","0.1205","0.1221","","","","","","1.123","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7214403","11.4622","0.0015","9.4091","0.0012","22.611","0.003","90","","91.698","0.002","90","","2437.5","0.6","291","2","291","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C41 H60 Cd2 N4 O20 -","- C41 H60 Cd2 N4 O20 -","- C82 H120 Cd4 N8 O40 -","2","0.5","","Ju, Zemin; Cao, Dapeng; Qin, Ling; Zhang, Chuanlei; Zhang, Mingdao; Shi, Zhiqiang; Zheng, Hegen","Syntheses, characterization, and properties of five coordination compounds based on the ligand tetrakis(4-pyridyloxymethylene)methane","CrystEngComm","2014","16","19","3917","","10.1039/c3ce42477d","","","0.71073","MoKα","","0.0554","0.0459","","","0.1212","0.1302","","","","","","1.051","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214404","15.355","0.005","6.908","0.002","32.838","0.011","90","","99.157","0.005","90","","3438.8","1.9","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H27 Er N6 O6 -","- C42 H27 Er N6 O6 -","- C168 H108 Er4 N24 O24 -","4","1","","Li, Teng; Hong, Xu-Jia; Liu, Xiang; Chen, Rong; Zhan, Qing-Guang; Xu, Xuan; Cai, Yue-Peng","Construction of three pH-dependent luminescent metal‒organic frameworks with 3-(4-carboxyphen-yl)-1,3-benzoimidazole","CrystEngComm","2014","16","19","3883","","10.1039/c4ce00125g","","","0.71073","MoKα","","0.1102","0.066","","","0.1498","0.1704","","","","","","1.053","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214405","11.359","0.003","14.308","0.006","18.162","0.007","90","","127.87","0.02","90","","2330.1","1.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H18 N4 O4 Zn -","- C28 H18 N4 O4 Zn -","- C112 H72 N16 O16 Zn4 -","4","1","","Li, Teng; Hong, Xu-Jia; Liu, Xiang; Chen, Rong; Zhan, Qing-Guang; Xu, Xuan; Cai, Yue-Peng","Construction of three pH-dependent luminescent metal‒organic frameworks with 3-(4-carboxyphen-yl)-1,3-benzoimidazole","CrystEngComm","2014","16","19","3883","","10.1039/c4ce00125g","","","0.71073","MoKα","","0.1549","0.0573","","","0.0963","0.133","","","","","","1.05","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214406","18.884","0.0017","18.884","0.0017","22.448","0.003","90","","90","","90","","8005.1","1.5","298","2","298","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C56 H72 Cl6 Er4 N8 O44 Zn -","- C56 H64 Cl6 Er4 N8 O44 Zn -","- C224 H256 Cl24 Er16 N32 O176 Zn4 -","4","0.25","","Li, Teng; Hong, Xu-Jia; Liu, Xiang; Chen, Rong; Zhan, Qing-Guang; Xu, Xuan; Cai, Yue-Peng","Construction of three pH-dependent luminescent metal‒organic frameworks with 3-(4-carboxyphen-yl)-1,3-benzoimidazole","CrystEngComm","2014","16","19","3883","","10.1039/c4ce00125g","","","0.71073","MoKα","","0.1133","0.0613","","","0.1418","0.169","","","","","","1.138","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214407","5.116","0.0004","5.1957","0.0004","19.5042","0.0016","90.704","0.002","93.362","0.002","91.346","0.002","517.36","0.07","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","SF 312 (4-pyridyl)-CONH-(CH2)4-NHCO-(4-pyridyl), HOOC-(CH2)4-COOH","","- C22 H28 N4 O6 -","- C22 H28 N4 O6 -","- C22 H28 N4 O6 -","1","0.5","","Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John","Altering physical properties of pharmaceutical co-crystals in a systematic manner","CrystEngComm","2014","16","26","5870","","10.1039/c4ce00206g","","","0.71073","MoKα","","0.0437","0.0375","","","0.1069","0.1132","","","","","","1.057","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214408","5.1221","0.0004","5.2045","0.0004","21.5019","0.0014","94.963","0.002","95.404","0.002","91.63","0.002","568.12","0.07","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","SF313 (4-pyridyl)-CONH-(CH2)4-NHCO-(4-pyridyl) HOOC-(CH2)6-COOH","","- C24 H32 N4 O6 -","- C24 H32 N4 O6 -","- C24 H32 N4 O6 -","1","0.5","","Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John","Altering physical properties of pharmaceutical co-crystals in a systematic manner","CrystEngComm","2014","16","26","5870","","10.1039/c4ce00206g","","","0.71073","MoKα","","0.0529","0.0429","","","0.1227","0.1303","","","","","","1.064","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214409","5.1072","0.0004","5.1171","0.0004","22.119","0.002","96.134","0.006","94.037","0.006","91.34","0.006","573.05","0.08","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","SF11 (4-pyridyl-CONH-(CH2)8-NHCO-(4-pyridyl), succinic acid","","- C24 H32 N4 O6 -","- C24 H32 N4 O6 -","- C24 H32 N4 O6 -","1","0.5","","Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John","Altering physical properties of pharmaceutical co-crystals in a systematic manner","CrystEngComm","2014","16","26","5870","","10.1039/c4ce00206g","","","0.71073","MoKα","","0.0597","0.0471","","","0.1143","0.123","","","","","","1.032","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214410","5.1403","0.0003","5.2489","0.0003","22.9829","0.0015","93.859","0.004","95.267","0.004","91.289","0.004","615.82","0.06","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","Adip+A44 4-pyridyl-CONH-(CH2)8-NHCO-4-pyridyl, HOOC-(CH2)8-COOH","","- C26 H36 N4 O6 -","- C26 H36 N4 O6 -","- C26 H36 N4 O6 -","1","0.5","","Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John","Altering physical properties of pharmaceutical co-crystals in a systematic manner","CrystEngComm","2014","16","26","5870","","10.1039/c4ce00206g","","","0.71073","MoKα","","0.057","0.0402","","","0.1061","0.1154","","","","","","1.045","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214411","5.142","0.0004","5.2541","0.0004","24.624","0.002","89.785","0.004","87.095","0.004","88.59","0.004","664.2","0.09","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","A44-Sub 4-pyridyl-CONH-(CH2)8-NHCO-4-pyridyl, HOOC-(CH2)6-COOH","","- C28 H40 N4 O6 -","- C28 H40 N4 O6 -","- C28 H40 N4 O6 -","1","0.5","","Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John","Altering physical properties of pharmaceutical co-crystals in a systematic manner","CrystEngComm","2014","16","26","5870","","10.1039/c4ce00206g","","","0.71073","MoKα","","0.0706","0.0473","","","0.123","0.1384","","","","","","1.005","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214412","5.1264","0.0006","5.2432","0.0006","26.127","0.003","85.874","0.004","89.354","0.004","88.356","0.004","700.12","0.14","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","SF 305 (4-pyridyl)-CONH-(CH2)8-NHCO-(4-pyridyl), HOOC-(CH2)8-COOH","","- C30 H44 N4 O6 -","- C30 H44 N4 O6 -","- C30 H44 N4 O6 -","1","0.5","","Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John","Altering physical properties of pharmaceutical co-crystals in a systematic manner","CrystEngComm","2014","16","26","5870","","10.1039/c4ce00206g","","","0.71073","MoKα","","0.0956","0.0614","","","0.1655","0.1827","","","","","","1.084","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214413","5.0275","0.0006","6.9253","0.0009","16.058","0.002","89.749","0.006","81.536","0.005","80.893","0.006","545.93","0.12","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","C44-Succ 4-pyridyl-CONH-(CH2)6-NHCO-4-pyridyl, succinic acid","","- C22 H28 N4 O6 -","- C22 H28 N4 O6 -","- C22 H28 N4 O6 -","1","0.5","","Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John","Altering physical properties of pharmaceutical co-crystals in a systematic manner","CrystEngComm","2014","16","26","5870","","10.1039/c4ce00206g","","","0.71073","MoKα","","0.0533","0.0431","","","0.1222","0.1305","","","","","","1.041","","","","has coordinates,has disorder","180475","2020-10-21","18:00:00",""
"7214414","5.0282","0.0006","6.7877","0.0008","17.522","0.002","98.124","0.003","97.604","0.003","94.605","0.003","583.82","0.12","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","SF 300 (3-pyridyl)-COHN-(CH2)6-NHCO-(3-pyridyl), HOOC-(CH2)4-COOH","","- C24 H32 N4 O6 -","- C24 H32 N4 O6 -","- C24 H32 N4 O6 -","1","0.5","","Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John","Altering physical properties of pharmaceutical co-crystals in a systematic manner","CrystEngComm","2014","16","26","5870","","10.1039/c4ce00206g","","","0.71073","MoKα","","0.0688","0.0487","","","0.127","0.14","","","","","","1.084","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214415","5.1671","0.0013","11.646","0.003","11.779","0.004","67.873","0.011","80.585","0.012","79.827","0.012","642.6","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","SF 301 (3-pyridyl)-CONH-(CH2)-6-NHCO-(3-pyridyl), HOOC-(CH2)6-COOH","","- C26 H36 N4 O6 -","- C26 H36 N4 O6 -","- C26 H36 N4 O6 -","1","0.5","","Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John","Altering physical properties of pharmaceutical co-crystals in a systematic manner","CrystEngComm","2014","16","26","5870","","10.1039/c4ce00206g","","","0.71073","MoKα","","0.1002","0.0563","","","0.1407","0.1599","","","","","","1.07","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214416","4.9817","0.0004","6.8634","0.0006","20.0493","0.0016","93.097","0.004","90.233","0.004","98.285","0.004","677.32","0.1","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","SF 274 3-pyridyl-CONH-(CH2)6-NHCO-3-pyridyl, HOOC-(CH2)8-COOH","","- C28 H40 N4 O6 -","- C28 H40 N4 O6 -","- C28 H40 N4 O6 -","1","0.5","","Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John","Altering physical properties of pharmaceutical co-crystals in a systematic manner","CrystEngComm","2014","16","26","5870","","10.1039/c4ce00206g","","","0.71073","MoKα","","0.0676","0.0517","","","0.1446","0.1571","","","","","","1.091","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214417","4.9821","0.0004","6.8797","0.0006","21.441","0.0017","87.936","0.006","86.223","0.006","81.469","0.005","724.93","0.1","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","SF10 3-pyridyl-CONH-(CH2)6-NHCO-3-pyridyl, HOOC-(CH2)10-COOH","","- C30 H44 N4 O6 -","- C30 H44 N4 O6 -","- C30 H44 N4 O6 -","1","0.5","","Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John","Altering physical properties of pharmaceutical co-crystals in a systematic manner","CrystEngComm","2014","16","26","5870","","10.1039/c4ce00206g","","","0.71073","MoKα","","0.0854","0.051","","","0.1297","0.1478","","","","","","1.017","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214418","8.2633","0.0003","7.3098","0.0003","5.5317","0.0002","90","","99.088","0.003","90","","329.94","0.02","180","","180","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","ethylamine","","- C2 H7 N -","- C2 H7 N -","- C8 H28 N4 -","4","1","","Maloney, Andrew G. P.; Wood, Peter A.; Parsons, Simon","Competition between hydrogen bonding and dispersion interactions in the crystal structures of the primary amines","CrystEngComm","2014","16","19","3867","","10.1039/c3ce42639d","","","0.71073","MoKα","","0.0424","0.0375","","0.0854","0.0834","0.0854","","","","","","0.925","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214419","8.9742","0.00018","5.21927","0.00008","7.40243","0.00016","90","","112.972","0.0013","90","","319.224","0.011","150","","150","","","","","","","","Aldrich","3","P 1 21/c 1","-P 2ybc","14","ethylamine","ethylamine","","- C2 H7 N -","- C2 H7 N -","- C8 H28 N4 -","4","1","","Maloney, Andrew G. P.; Wood, Peter A.; Parsons, Simon","Competition between hydrogen bonding and dispersion interactions in the crystal structures of the primary amines","CrystEngComm","2014","16","19","3867","","10.1039/c3ce42639d","powder diffraction","","1.5406","CuKα1","","","","","","","","","","","","","","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214420","23.287","0.0013","6.2354","0.0004","5.9794","0.0004","90","","90","","90","","868.23","0.09","150","","150","","","","","","","","Aldrich","3","P b c n","-P 2n 2ab","60","","propylamine","","- C3 H9 N -","- C3 H9 N -","- C24 H72 N8 -","8","1","","Maloney, Andrew G. P.; Wood, Peter A.; Parsons, Simon","Competition between hydrogen bonding and dispersion interactions in the crystal structures of the primary amines","CrystEngComm","2014","16","19","3867","","10.1039/c3ce42639d","","","0.71073","MoKα","","0.0777","0.0598","","0.1494","0.1337","0.1494","","","","","","0.9898","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214421","26.7852","0.0008","6.8166","0.0002","5.6703","0.0002","90","","90","","90","","1035.31","0.06","150","","150","","","","","","","","Aldrich","3","P b c n","-P 2n 2ab","60","","Butylamine","","- C4 H11 N -","- C4 H11 N -","- C32 H88 N8 -","8","1","","Maloney, Andrew G. P.; Wood, Peter A.; Parsons, Simon","Competition between hydrogen bonding and dispersion interactions in the crystal structures of the primary amines","CrystEngComm","2014","16","19","3867","","10.1039/c3ce42639d","","","0.71073","MoKα","","0.0562","0.0471","","0.1423","0.1219","0.1423","","","","","","1.105","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214422","33.546","0.004","6.4878","0.0008","5.7295","0.0007","90","","90","","90","","1247","0.3","150","","150","","","","","","","","Aldrich","3","P b c n","-P 2n 2ab","60","","pentylamine","","- C5 H13 N -","- C5 H13 N -","- C40 H104 N8 -","8","1","","Maloney, Andrew G. P.; Wood, Peter A.; Parsons, Simon","Competition between hydrogen bonding and dispersion interactions in the crystal structures of the primary amines","CrystEngComm","2014","16","19","3867","","10.1039/c3ce42639d","","","0.71073","MoKα","","0.1555","0.0612","","0.1959","0.1373","0.1959","","","","","","0.9616","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214423","6.9725","0.0003","17.7977","0.0006","5.6105","0.0002","90","","90","","90","","696.23","0.05","150","","150","","","","","","","","Aldrich","3","P c a 21","P 2c -2ac","29","","hexylamine","","- C6 H15 N -","- C6 H15 N -","- C24 H60 N4 -","4","1","","Maloney, Andrew G. P.; Wood, Peter A.; Parsons, Simon","Competition between hydrogen bonding and dispersion interactions in the crystal structures of the primary amines","CrystEngComm","2014","16","19","3867","","10.1039/c3ce42639d","","","0.71073","MoKα","","0.0504","0.0418","","0.1078","0.0969","0.1078","","","","","","1.0087","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214424","5.5669","0.0005","41.7","0.004","6.9982","0.0007","90","","90","","90","","1624.6","0.3","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","heptylamine","","- C7 H17 N -","- C7 H17 N -","- C56 H136 N8 -","8","2","","Maloney, Andrew G. P.; Wood, Peter A.; Parsons, Simon","Competition between hydrogen bonding and dispersion interactions in the crystal structures of the primary amines","CrystEngComm","2014","16","19","3867","","10.1039/c3ce42639d","","","0.71073","MoKα","","0.1758","0.0745","","0.3126","0.2017","0.3126","","","","","","1.088","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214425","7.0309","0.0005","22.3077","0.0015","5.5826","0.0004","90","","90","","90","","875.59","0.11","150","","150","","","","","","","","Aldrich","3","P c a 21","P 2c -2ac","29","","octylamine","","- C8 H19 N -","- C8 H19 N -","- C32 H76 N4 -","4","1","","Maloney, Andrew G. P.; Wood, Peter A.; Parsons, Simon","Competition between hydrogen bonding and dispersion interactions in the crystal structures of the primary amines","CrystEngComm","2014","16","19","3867","","10.1039/c3ce42639d","","","0.71073","MoKα","","0.055","0.0536","","0.1084","0.1062","0.1084","","","","","","1.0043","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214426","5.5458","0.0002","50.6527","0.0017","7.0521","0.0002","90","","90.04","0.002","90","","1981","0.11","150","","150","","","","","","","","Aldrich","3","P 1 21/c 1","-P 2ybc","14","","nonylamine","","- C9 H21 N -","- C9 H21 N -","- C72 H168 N8 -","8","2","","Maloney, Andrew G. P.; Wood, Peter A.; Parsons, Simon","Competition between hydrogen bonding and dispersion interactions in the crystal structures of the primary amines","CrystEngComm","2014","16","19","3867","","10.1039/c3ce42639d","","","0.71073","MoKα","","0.0924","0.0369","","0.1425","0.0946","0.1425","","","","","","0.8769","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214427","7.066","0.0004","26.8352","0.0015","5.573","0.0003","90","","90","","90","","1056.74","0.1","150","","150","","","","","","","","Aldrich","3","P c a 21","P 2c -2ac","29","","decylamine","","- C10 H23 N -","- C10 H23 N -","- C40 H92 N4 -","4","1","","Maloney, Andrew G. P.; Wood, Peter A.; Parsons, Simon","Competition between hydrogen bonding and dispersion interactions in the crystal structures of the primary amines","CrystEngComm","2014","16","19","3867","","10.1039/c3ce42639d","","","0.71073","MoKα","","0.0592","0.0536","","0.1229","0.1187","0.1229","","","","","","0.9762","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214428","6.065","0.003","4.463","0.002","11.55","0.006","90","","90.081","0.006","90","","312.6","0.3","293","2","293","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- B3 Be4 K O9 -","- B3 Be4 K O9 -","- B6 Be8 K2 O18 -","2","0.5","","Wang, Shichao; Ye, Ning; Zou, Guohong","A new alkaline beryllium borate KBe4B3O9 with ribbon alveolate [Be2BO5]∞layers and the structural evolution of ABe4B3O9(A = K, Rb and Cs)","CrystEngComm","2014","16","19","3971","","10.1039/c4ce00085d","","","0.71073","MoKα","","0.02","0.0194","","","0.0544","0.0548","","","","","","1.131","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214429","12.443","0.002","6.5577","0.0011","21.666","0.003","90","","93.151","0.002","90","","1765.2","0.5","293","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3-bis((tert-butylsulfinyl)methyl)benzene","","- C16 H26 O2 S2 -","- C16 H26 O2 S2 -","- C64 H104 O8 S8 -","4","1","","Xu, Zhiguang; Liu, Haiyang; Mahmood, Mian HR; Cai, Yuepeng; Xu, Xuan; Tang, Youwen","Spontaneous resolution of chiral bis-sulfoxides with asymmetric atropisomerism","CrystEngComm","2014","16","19","3839","","10.1039/c4ce00296b","","","0.71073","MoKα","","0.0813","0.0573","","","0.1502","0.1645","","","","","","1.062","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214430","8.2584","0.0014","10.6118","0.0018","11.751","0.002","67.631","0.002","72.609","0.002","69.331","0.002","874.8","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","1,2-bis((tert-butylthio)methyl)benzene","","- C16 H26 S2 -","- C16 H26 S2 -","- C32 H52 S4 -","2","1","","Xu, Zhiguang; Liu, Haiyang; Mahmood, Mian HR; Cai, Yuepeng; Xu, Xuan; Tang, Youwen","Spontaneous resolution of chiral bis-sulfoxides with asymmetric atropisomerism","CrystEngComm","2014","16","19","3839","","10.1039/c4ce00296b","","","0.71073","MoKα","","0.0745","0.0453","","","0.1133","0.1319","","","","","","1.009","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214431","10.4014","0.0017","11.1506","0.0018","15.433","0.003","90","","90","","90","","1789.9","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,2-bis((tert-butylsulfinyl)methyl)benzene","","- C16 H26 O2 S2 -","- C16 H26 O2 S2 -","- C64 H104 O8 S8 -","4","1","","Xu, Zhiguang; Liu, Haiyang; Mahmood, Mian HR; Cai, Yuepeng; Xu, Xuan; Tang, Youwen","Spontaneous resolution of chiral bis-sulfoxides with asymmetric atropisomerism","CrystEngComm","2014","16","19","3839","","10.1039/c4ce00296b","","","0.71073","MoKα","","0.1443","0.0547","","","0.0585","0.0721","","","","","","1.041","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214432","5.985","0.004","10.346","0.007","27.985","0.018","90","","90.592","0.009","90","","1733","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,4-bis((tert-butylsulfinyl)methyl)benzene","","- C16 H26 O2 S2 -","- C16 H26 O2 S2 -","- C64 H104 O8 S8 -","4","1","","Xu, Zhiguang; Liu, Haiyang; Mahmood, Mian HR; Cai, Yuepeng; Xu, Xuan; Tang, Youwen","Spontaneous resolution of chiral bis-sulfoxides with asymmetric atropisomerism","CrystEngComm","2014","16","19","3839","","10.1039/c4ce00296b","","","0.71073","MoKα","","0.1749","0.1103","","","0.2965","0.3307","","","","","","1.025","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214433","6.171","0.005","12.078","0.005","12.267","0.005","76.243","0.005","80.572","0.005","77.97","0.005","862.3","0.9","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","1,4-bis((tert-butylthio)methyl)benzene","","- C16 H26 S2 -","- C16 H26 S2 -","- C32 H52 S4 -","2","1","","Xu, Zhiguang; Liu, Haiyang; Mahmood, Mian HR; Cai, Yuepeng; Xu, Xuan; Tang, Youwen","Spontaneous resolution of chiral bis-sulfoxides with asymmetric atropisomerism","CrystEngComm","2014","16","19","3839","","10.1039/c4ce00296b","","","0.71069","MoKα","","0.1041","0.0732","","","0.2064","0.2324","","","","","","1.086","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214434","5.927","0.005","6.623","0.005","11.219","0.005","80.046","0.005","89.205","0.005","84.973","0.005","432.1","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1,4-bis((tert-butylsulfinyl)methyl)benzene","","- C16 H26 O2 S2 -","- C16 H26 O2 S2 -","- C16 H26 O2 S2 -","1","0.5","","Xu, Zhiguang; Liu, Haiyang; Mahmood, Mian HR; Cai, Yuepeng; Xu, Xuan; Tang, Youwen","Spontaneous resolution of chiral bis-sulfoxides with asymmetric atropisomerism","CrystEngComm","2014","16","19","3839","","10.1039/c4ce00296b","","","0.71069","MoKα","","0.0638","0.0562","","","0.1662","0.1758","","","","","","1.034","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214435","6.3438","0.0018","10.203","0.003","14.767","0.004","108.771","0.004","97.042","0.004","93.17","0.004","893.6","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","alpha,alpha'-tert-butylsulfinyl-m-xylene","","- C16 H26 O2 S2 -","- C16 H26 O2 S2 -","- C32 H52 O4 S4 -","2","1","","Xu, Zhiguang; Liu, Haiyang; Mahmood, Mian HR; Cai, Yuepeng; Xu, Xuan; Tang, Youwen","Spontaneous resolution of chiral bis-sulfoxides with asymmetric atropisomerism","CrystEngComm","2014","16","19","3839","","10.1039/c4ce00296b","","","0.71073","MoKα","","0.1101","0.0576","","","0.1395","0.1667","","","","","","1.043","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214436","12.418","0.005","6.541","0.002","21.609","0.008","90","","93.212","0.006","90","","1752.5","1.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","alpha,alpha'-tert-butylsulfinyl-m-xylene","","- C16 H26 O2 S2 -","- C16 H26 O2 S2 -","- C64 H104 O8 S8 -","4","1","","Xu, Zhiguang; Liu, Haiyang; Mahmood, Mian HR; Cai, Yuepeng; Xu, Xuan; Tang, Youwen","Spontaneous resolution of chiral bis-sulfoxides with asymmetric atropisomerism","CrystEngComm","2014","16","19","3839","","10.1039/c4ce00296b","","","0.71073","MoKα","","0.1968","0.0841","","","0.222","0.2771","","","","","","0.963","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214437","11.94","0.007","19.051","0.01","9.493","0.005","90","","124.504","0.007","90","","1779.5","1.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,2-bis((tert-butylsulfinyl)methyl)benzene","","- C16 H26 O2 S2 -","- C16 H26 O2 S2 -","- C64 H104 O8 S8 -","4","0.5","","Xu, Zhiguang; Liu, Haiyang; Mahmood, Mian HR; Cai, Yuepeng; Xu, Xuan; Tang, Youwen","Spontaneous resolution of chiral bis-sulfoxides with asymmetric atropisomerism","CrystEngComm","2014","16","19","3839","","10.1039/c4ce00296b","","","0.71073","MoKα","","0.1811","0.0586","","","0.1071","0.1419","","","","","","0.926","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214438","10.4267","0.0016","15.449","0.002","11.1546","0.0018","90","","90","","90","","1796.8","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R,S)-1,2-bis((tert-butylsulfinyl)methyl)benzene","","- C16 H26 O2 S2 -","- C16 H26 O2 S2 -","- C64 H104 O8 S8 -","4","1","","Xu, Zhiguang; Liu, Haiyang; Mahmood, Mian HR; Cai, Yuepeng; Xu, Xuan; Tang, Youwen","Spontaneous resolution of chiral bis-sulfoxides with asymmetric atropisomerism","CrystEngComm","2014","16","19","3839","","10.1039/c4ce00296b","","","0.71073","MoKα","","0.2124","0.0945","","","0.0813","0.1018","","","","","","1.003","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214439","25.3961","0.0009","25.3961","0.0009","25.3961","0.0009","90","","90","","90","","16379.5","1","173","2","173","2","","","","","","","","5","F 2 3","F 2 2 3","196","","","","- C32 H35 Cd N9 O6 -","- C27 H22 Cd N7 O -","- C432 H352 Cd16 N112 O16 -","16","0.333333","","Yuan, Shuai; Deng, Yong-Kai; Xuan, Wei-Min; Wang, Xing-Po; Wang, Su-Na; Dou, Jian-Min; Sun, Di","Spontaneous chiral resolution of a 3D (3,12)-connected MOF with an unprecedented ttt topology consisting of cubic [Cd4(μ3-OH)4] clusters and propeller-like ligands","CrystEngComm","2014","16","19","3829","","10.1039/c4ce00028e","","","0.71073","MoKα","","0.0955","0.0689","","","0.1884","0.2091","","","","","","0.809","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214440","25.704","0.003","25.704","0.003","25.704","0.003","90","","90","","90","","16983","3","120","2","120","2","","","","","","","","5","F 2 3","F 2 2 3","196","","","","- C32 H35 Cd N9 O6 -","- C27 H22 Cd N7 O -","- C432 H352 Cd16 N112 O16 -","16","0.333333","","Yuan, Shuai; Deng, Yong-Kai; Xuan, Wei-Min; Wang, Xing-Po; Wang, Su-Na; Dou, Jian-Min; Sun, Di","Spontaneous chiral resolution of a 3D (3,12)-connected MOF with an unprecedented ttt topology consisting of cubic [Cd4(μ3-OH)4] clusters and propeller-like ligands","CrystEngComm","2014","16","19","3829","","10.1039/c4ce00028e","","","0.71073","MoKα","","0.0811","0.0529","","","0.1259","0.1337","","","","","","0.836","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214441","3.7068","0.001","13.382","0.003","18.423","0.005","98.732","0.004","93.699","0.004","95.739","0.004","895.8","0.4","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","2,2'-Bipyridinium picrate mono-acetonitrile solvate","","- C18 H14 N6 O7 -","- C18 H14 N6 O7 -","- C36 H28 N12 O14 -","2","1","","Chan, Eric J.; Grabowsky, Simon; Harrowfield, Jack M.; Shi, Ming W.; Skelton, Brian W.; Sobolev, Alexandre N.; White, Allan H.","Hirshfeld surface analysis of crystal packing in aza-aromatic picrate salts","CrystEngComm","2014","16","21","4508","","10.1039/c4ce00095a","","","0.71073","MoKα","","0.0808","0.0584","","","0.1871","0.2008","","","","","","1.107","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214442","17.8023","0.001","15.2063","0.0009","20.3551","0.0012","90","","102.331","0.001","90","","5383.1","0.5","170","2","170","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Morpholinium picrate hemihydrate","","- C10 H13 N4 O8.5 -","- C10 H13 N4 O8.5 -","- C160 H208 N64 O136 -","16","2","","Chan, Eric J.; Grabowsky, Simon; Harrowfield, Jack M.; Shi, Ming W.; Skelton, Brian W.; Sobolev, Alexandre N.; White, Allan H.","Hirshfeld surface analysis of crystal packing in aza-aromatic picrate salts","CrystEngComm","2014","16","21","4508","","10.1039/c4ce00095a","","","0.71073","MoKα","","0.088","0.0594","","","0.1472","0.1657","","","","","","1.013","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214443","13.509","0.005","7.028","0.003","18.804","0.007","90","","98.116","0.006","90","","1767.4","1.2","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,10-Phenanthrolinium picrate","","- C18 H11 N5 O7 -","- C18 H11 N5 O7 -","- C72 H44 N20 O28 -","4","1","","Chan, Eric J.; Grabowsky, Simon; Harrowfield, Jack M.; Shi, Ming W.; Skelton, Brian W.; Sobolev, Alexandre N.; White, Allan H.","Hirshfeld surface analysis of crystal packing in aza-aromatic picrate salts","CrystEngComm","2014","16","21","4508","","10.1039/c4ce00095a","","","0.71073","MoKα","","0.0863","0.0528","","","0.1297","0.1424","","","","","","1.045","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214444","8.27","0.0005","10.6206","0.0006","11.4612","0.0007","82.126","0.001","86.883","0.001","71.856","0.001","947.52","0.1","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","2,2':6',2''-Terpyridinium picrate","","- C21 H14 N6 O7 -","- C21 H14 N6 O7 -","- C42 H28 N12 O14 -","2","1","","Chan, Eric J.; Grabowsky, Simon; Harrowfield, Jack M.; Shi, Ming W.; Skelton, Brian W.; Sobolev, Alexandre N.; White, Allan H.","Hirshfeld surface analysis of crystal packing in aza-aromatic picrate salts","CrystEngComm","2014","16","21","4508","","10.1039/c4ce00095a","","","0.71073","MoKα","","0.074","0.0513","","","0.1302","0.1489","","","","","","1.025","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214445","8.2754","0.0016","10.872","0.002","11.452","0.002","98.064","0.004","104.517","0.003","102.449","0.004","953.2","0.3","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","2,9-Dimethyl-1,10-phenanthrolinium picrate","","- C20 H15 N5 O7 -","- C20 H15 N5 O7 -","- C40 H30 N10 O14 -","2","1","","Chan, Eric J.; Grabowsky, Simon; Harrowfield, Jack M.; Shi, Ming W.; Skelton, Brian W.; Sobolev, Alexandre N.; White, Allan H.","Hirshfeld surface analysis of crystal packing in aza-aromatic picrate salts","CrystEngComm","2014","16","21","4508","","10.1039/c4ce00095a","","","0.71073","MoKα","","0.1046","0.0578","","","0.1408","0.1681","","","","","","0.998","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214446","6.5862","0.0005","16.8945","0.0013","17.1437","0.0014","90","","99.306","0.002","90","","1882.5","0.3","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Piperidinium picrate mono-piperidine solvate","","- C16 H25 N5 O7 -","- C16 H25 N5 O7 -","- C64 H100 N20 O28 -","4","1","","Chan, Eric J.; Grabowsky, Simon; Harrowfield, Jack M.; Shi, Ming W.; Skelton, Brian W.; Sobolev, Alexandre N.; White, Allan H.","Hirshfeld surface analysis of crystal packing in aza-aromatic picrate salts","CrystEngComm","2014","16","21","4508","","10.1039/c4ce00095a","","","0.71073","MoKα","","0.1057","0.0584","","","0.1405","0.1659","","","","","","0.988","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214447","8.191","0.003","11.869","0.004","13.953","0.005","86.255","0.005","82.754","0.006","80.752","0.005","1326.8","0.8","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","2-Methylpyridinium picrate","","- C12 H10 N4 O7 -","- C12 H10 N4 O7 -","- C48 H40 N16 O28 -","4","2","","Chan, Eric J.; Grabowsky, Simon; Harrowfield, Jack M.; Shi, Ming W.; Skelton, Brian W.; Sobolev, Alexandre N.; White, Allan H.","Hirshfeld surface analysis of crystal packing in aza-aromatic picrate salts","CrystEngComm","2014","16","21","4508","","10.1039/c4ce00095a","","","0.71073","MoKα","","0.0904","0.0596","","","0.1488","0.1643","","","","","","1.084","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214448","8.259","0.002","9.243","0.002","19.849","0.005","90","","91.282","0.004","90","","1514.9","0.6","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","8-Hydroxyquinolinium picrate","","- C15 H10 N4 O8 -","- C15 H10 N4 O8 -","- C60 H40 N16 O32 -","4","1","","Chan, Eric J.; Grabowsky, Simon; Harrowfield, Jack M.; Shi, Ming W.; Skelton, Brian W.; Sobolev, Alexandre N.; White, Allan H.","Hirshfeld surface analysis of crystal packing in aza-aromatic picrate salts","CrystEngComm","2014","16","21","4508","","10.1039/c4ce00095a","","","0.71073","MoKα","","0.0668","0.048","","","0.1204","0.1331","","","","","","1.027","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214449","9.1996","0.0011","14.6492","0.0018","13.1834","0.0016","90","","108.918","0.002","90","","1680.7","0.4","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis(2-pyridyl)ammonium picrate","","- C16 H12 N6 O7 -","- C16 H12 N6 O7 -","- C64 H48 N24 O28 -","4","1","","Chan, Eric J.; Grabowsky, Simon; Harrowfield, Jack M.; Shi, Ming W.; Skelton, Brian W.; Sobolev, Alexandre N.; White, Allan H.","Hirshfeld surface analysis of crystal packing in aza-aromatic picrate salts","CrystEngComm","2014","16","21","4508","","10.1039/c4ce00095a","","","0.71073","MoKα","","0.0803","0.0594","","","0.1502","0.1684","","","","","","0.917","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214457","10.9578","0.0003","16.3093","0.0005","9.2414","0.0003","90","","97.956","0.003","90","","1635.67","0.09","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C11 H8 Cd2 Cl0 K N5 O10 -","- C11 H8 Cd2 K N5 O10 -","- C44 H32 Cd8 K4 N20 O40 -","4","0.5","","Zhong, Di-Chang; Lu, Wen-Guan; Deng, Ji-Hua","Two three-dimensional cadmium(ii) coordination polymers based on 5-amino-tetrazolate and 1,2,4,5-benzenetetracarboxylate: the pH value controlled syntheses, crystal structures and luminescent properties","CrystEngComm","2014","16","21","4633","","10.1039/c4ce00219a","","","0.71073","MoKα","","0.0468","0.0341","","","0.056","0.0623","","","","","","1.044","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214458","6.595","0.0004","9.1653","0.0005","14.1958","0.001","85.873","0.005","82.166","0.005","74.734","0.004","819.48","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H11 Cd3 N5 O12 -","- C11 H9 Cd3 N5 O12 -","- C22 H18 Cd6 N10 O24 -","2","1","","Zhong, Di-Chang; Lu, Wen-Guan; Deng, Ji-Hua","Two three-dimensional cadmium(ii) coordination polymers based on 5-amino-tetrazolate and 1,2,4,5-benzenetetracarboxylate: the pH value controlled syntheses, crystal structures and luminescent properties","CrystEngComm","2014","16","21","4633","","10.1039/c4ce00219a","","","0.71073","MoKα","","0.0535","0.0364","","","0.0593","0.068","","","","","","1.06","","","","has coordinates,has disorder","180475","2020-10-21","18:00:00",""
"7214459","9.8996","0.0009","10.1499","0.0009","19.4607","0.0017","77.199","0.001","84.26","0.001","61.525","0.001","1676.1","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H26 Eu N3 O25 Y2 -","- C24 H26 Eu0.99 N3 O25 Y2.01 -","- C48 H52 Eu1.98 N6 O50 Y4.02 -","2","1","","Zhang, Yu; Ju, Weiwei; Xu, Xiao; Lv, Yun; Zhu, Dunru; Xu, Yan","Two novel mixed Eu3+/Y3+ Ln MOFs: influence of pH on the topology, Eu/Y ratio and energy transfer","CrystEngComm","2014","16","25","5681","","10.1039/c4ce00513a","","","0.71073","MoKα","","0.0449","0.0325","","","0.0822","0.0947","","","","","","1.05","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214460","7.4519","0.0006","19.2623","0.0015","12.3897","0.0009","90","","90","","90","","1778.4","0.2","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C7 H5 Eu0.44 N O5 Y0.56 -","- C7 H5 Eu0.44 N O5 Y0.56 -","- C56 H40 Eu3.52 N8 O40 Y4.48 -","8","1","","Zhang, Yu; Ju, Weiwei; Xu, Xiao; Lv, Yun; Zhu, Dunru; Xu, Yan","Two novel mixed Eu3+/Y3+ Ln MOFs: influence of pH on the topology, Eu/Y ratio and energy transfer","CrystEngComm","2014","16","25","5681","","10.1039/c4ce00513a","","","0.71073","MoKα","","0.028","0.023","","","0.0537","0.0553","","","","","","1.151","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214461","5.8743","0.0006","7.5065","0.0007","13.3959","0.0009","101.489","0.007","96.656","0.007","110.39","0.008","531.44","0.09","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H8 Br N3 O -","- C11 H8 Br N3 O -","- C22 H16 Br2 N6 O2 -","2","1","","Khavasi, Hamid Reza; Hosseini, Mahdieh; Tehrani, Alireza Azhdari; Naderi, Soheila","Strengthening N⋯X halogen bonding via nitrogen substitution in the aromatic framework of halogen-substituted arylpyrazinamides","CrystEngComm","2014","16","21","4546","","10.1039/c3ce41856a","","","0.71073","MoKα","","0.0732","0.0491","","","0.1109","0.1186","","","","","","0.998","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214462","7.287","0.002","24.367","0.005","12.004","0.003","90","","100.65","0.02","90","","2094.7","0.9","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H7 Br N4 O -","- C10 H7 Br N4 O -","- C80 H56 Br8 N32 O8 -","8","2","","Khavasi, Hamid Reza; Hosseini, Mahdieh; Tehrani, Alireza Azhdari; Naderi, Soheila","Strengthening N⋯X halogen bonding via nitrogen substitution in the aromatic framework of halogen-substituted arylpyrazinamides","CrystEngComm","2014","16","21","4546","","10.1039/c3ce41856a","","","0.71073","MoKα","","0.2004","0.0812","","","0.1605","0.2016","","","","","","0.892","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214463","5.8988","0.0019","7.408","0.003","13.191","0.004","101.56","0.03","96.55","0.02","110.55","0.03","518","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H8 Cl N3 O -","- C11 H8 Cl N3 O -","- C22 H16 Cl2 N6 O2 -","2","1","","Khavasi, Hamid Reza; Hosseini, Mahdieh; Tehrani, Alireza Azhdari; Naderi, Soheila","Strengthening N⋯X halogen bonding via nitrogen substitution in the aromatic framework of halogen-substituted arylpyrazinamides","CrystEngComm","2014","16","21","4546","","10.1039/c3ce41856a","","","0.71073","MoKα","","0.0815","0.0715","","","0.141","0.1512","","","","","","1.038","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214464","7.375","0.004","10.92","0.005","13.606","0.007","86.2","0.04","83.56","0.04","73.19","0.04","1041.7","0.9","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H7 Cl N4 O -","- C10 H7 Cl N4 O -","- C40 H28 Cl4 N16 O4 -","4","2","","Khavasi, Hamid Reza; Hosseini, Mahdieh; Tehrani, Alireza Azhdari; Naderi, Soheila","Strengthening N⋯X halogen bonding via nitrogen substitution in the aromatic framework of halogen-substituted arylpyrazinamides","CrystEngComm","2014","16","21","4546","","10.1039/c3ce41856a","","","0.71073","MoKα","","0.162","0.071","","","0.1168","0.1433","","","","","","1.03","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214465","6.0141","0.0015","23.974","0.005","13.582","0.003","90","","92.58","0.02","90","","1956.3","0.8","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 F N3 O -","- C11 H8 F N3 O -","- C88 H64 F8 N24 O8 -","8","2","","Khavasi, Hamid Reza; Hosseini, Mahdieh; Tehrani, Alireza Azhdari; Naderi, Soheila","Strengthening N⋯X halogen bonding via nitrogen substitution in the aromatic framework of halogen-substituted arylpyrazinamides","CrystEngComm","2014","16","21","4546","","10.1039/c3ce41856a","","","0.71073","MoKα","","0.1738","0.0538","","","0.0885","0.1149","","","","","","0.864","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214466","3.7671","0.0005","15.7465","0.0019","16.358","0.002","90","","92.991","0.011","90","","969","0.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H7 F N4 O -","- C10 H7 F N4 O -","- C40 H28 F4 N16 O4 -","4","1","","Khavasi, Hamid Reza; Hosseini, Mahdieh; Tehrani, Alireza Azhdari; Naderi, Soheila","Strengthening N⋯X halogen bonding via nitrogen substitution in the aromatic framework of halogen-substituted arylpyrazinamides","CrystEngComm","2014","16","21","4546","","10.1039/c3ce41856a","","","0.71073","MoKα","","0.0901","0.0466","","","0.0773","0.0862","","","","","","1.002","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214467","5.7717","0.0003","24.9374","0.0008","7.5654","0.0003","90","","94.819","0.004","90","","1085.05","0.08","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H7 I N4 O -","- C10 H7 I N4 O -","- C40 H28 I4 N16 O4 -","4","1","","Khavasi, Hamid Reza; Hosseini, Mahdieh; Tehrani, Alireza Azhdari; Naderi, Soheila","Strengthening N⋯X halogen bonding via nitrogen substitution in the aromatic framework of halogen-substituted arylpyrazinamides","CrystEngComm","2014","16","21","4546","","10.1039/c3ce41856a","","","0.71073","MoKα","","0.0912","0.0787","","","0.1239","0.1598","","","","","","0.91","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214468","5.955","0.0008","7.7126","0.0011","12.9998","0.0017","78.85","0.011","85.64","0.011","70.594","0.011","552.47","0.14","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H8 I N3 O -","- C11 H8 I N3 O -","- C22 H16 I2 N6 O2 -","2","1","","Khavasi, Hamid Reza; Hosseini, Mahdieh; Tehrani, Alireza Azhdari; Naderi, Soheila","Strengthening N⋯X halogen bonding via nitrogen substitution in the aromatic framework of halogen-substituted arylpyrazinamides","CrystEngComm","2014","16","21","4546","","10.1039/c3ce41856a","","","0.71073","MoKα","","0.0355","0.0296","","","0.0668","0.0692","","","","","","1.091","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214469","18.4898","0.0011","18.4898","0.0011","38.7266","0.0019","90","","90","","120","","11465.8","1.1","150","2","150","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C22 H13 Cu2 N O12 -","- C22 H9 Cu2 N O12 -","- C198 H81 Cu18 N9 O108 -","9","0.25","","Zhang, Mingxing; Wang, Qian; Lu, Zhiyong; Liu, Huiyan; Liu, Wenlong; Bai, Junfeng","A nitro-decorated NbO-type metal‒organic framework with a highly selective CO2 uptake and CH4 storage capacity","CrystEngComm","2014","16","28","6287","","10.1039/c4ce00202d","","","0.71073","MoKα","","0.1328","0.1208","","","0.3356","0.3522","","","","","","1.449","","","","has coordinates,has disorder","180475","2020-10-21","18:00:00",""
"7214470","37.342","0.007","8.2819","0.0004","26.577","0.009","90","","134.36","0.03","90","","5876","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H23 N6 O9 Zn1.5 -","- C30 H23 N6 O9 Zn1.5 -","- C240 H184 N48 O72 Zn12 -","8","1","","Yang, Wei; Wang, Chiming; Ma, Qi; Liu, Chenxi; Wang, Hailong; Jiang, Jianzhuang","Synthesis, crystal structures, and luminescence properties of seven tripodal imidazole-based Zn/Cd(ii) coordination polymers induced by tricarboxylates","CrystEngComm","2014","16","21","4554","","10.1039/c4ce00212a","","","0.71073","MoKα","","0.1415","0.0794","","","0.1381","0.1575","","","","","","1.043","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7214471","38.1051","0.0019","8.0262","0.0002","26.1036","0.0012","90","","130.755","0.008","90","","6047.6","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H27 Cd1.5 N6 O11 -","- C30 H27 Cd1.5 N6 O11 -","- C240 H216 Cd12 N48 O88 -","8","1","","Yang, Wei; Wang, Chiming; Ma, Qi; Liu, Chenxi; Wang, Hailong; Jiang, Jianzhuang","Synthesis, crystal structures, and luminescence properties of seven tripodal imidazole-based Zn/Cd(ii) coordination polymers induced by tricarboxylates","CrystEngComm","2014","16","21","4554","","10.1039/c4ce00212a","","","0.71073","MoKα","","0.0772","0.0531","","","0.0977","0.1049","","","","","","1.084","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214472","10.1513","0.0015","32.003","0.006","18.417","0.004","90","","90","","90","","5983.2","1.9","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C30 H19 N6 O7.5 Zn1.5 -","- C30 H19 N6 O7.5 Zn1.5 -","- C240 H152 N48 O60 Zn12 -","8","1","","Yang, Wei; Wang, Chiming; Ma, Qi; Liu, Chenxi; Wang, Hailong; Jiang, Jianzhuang","Synthesis, crystal structures, and luminescence properties of seven tripodal imidazole-based Zn/Cd(ii) coordination polymers induced by tricarboxylates","CrystEngComm","2014","16","21","4554","","10.1039/c4ce00212a","","","0.71073","MoKα","","0.1961","0.0987","","","0.2535","0.3063","","","","","","0.952","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214473","32.5833","0.0008","10.191","0.0003","19.138","0.0005","90","","90","","90","","6354.9","0.3","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C30 H24 Cd1.5 N6 O10 -","- C30 H24 Cd1.5 N6 O10 -","- C240 H192 Cd12 N48 O80 -","8","1","","Yang, Wei; Wang, Chiming; Ma, Qi; Liu, Chenxi; Wang, Hailong; Jiang, Jianzhuang","Synthesis, crystal structures, and luminescence properties of seven tripodal imidazole-based Zn/Cd(ii) coordination polymers induced by tricarboxylates","CrystEngComm","2014","16","21","4554","","10.1039/c4ce00212a","","","0.71073","MoKα","","0.0614","0.0459","","","0.106","0.1119","","","","","","1.082","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214474","19.9674","0.0005","18.9868","0.0005","30.7298","0.0011","90","","90","","90","","11650.2","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C60 H43 N12 O18.5 Zn3 -","- C60 H43 N12 O18.5 Zn3 -","- C480 H344 N96 O148 Zn24 -","8","1","","Yang, Wei; Wang, Chiming; Ma, Qi; Liu, Chenxi; Wang, Hailong; Jiang, Jianzhuang","Synthesis, crystal structures, and luminescence properties of seven tripodal imidazole-based Zn/Cd(ii) coordination polymers induced by tricarboxylates","CrystEngComm","2014","16","21","4554","","10.1039/c4ce00212a","","","0.71073","MoKα","","0.1264","0.0662","","","0.1578","0.1866","","","","","","0.998","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214475","7.5481","0.0006","10.8878","0.001","19.046","0.0018","79.948","0.008","79.57","0.008","73.077","0.008","1460.3","0.2","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C60 H42 N12 O15 Zn2 -","- C60 H42 N12 O15 Zn2 -","- C60 H42 N12 O15 Zn2 -","1","1","","Yang, Wei; Wang, Chiming; Ma, Qi; Liu, Chenxi; Wang, Hailong; Jiang, Jianzhuang","Synthesis, crystal structures, and luminescence properties of seven tripodal imidazole-based Zn/Cd(ii) coordination polymers induced by tricarboxylates","CrystEngComm","2014","16","21","4554","","10.1039/c4ce00212a","","","0.71073","MoKα","","0.074","0.0617","","","0.1591","0.168","","","","","","1.049","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214476","27.4177","0.0012","8.2315","0.0003","13.7691","0.0007","90","","94.263","0.005","90","","3098.9","0.2","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C30 H25 Cd1.5 N6 O10 -","- C30 H25 Cd1.5 N6 O10 -","- C120 H100 Cd6 N24 O40 -","4","1","","Yang, Wei; Wang, Chiming; Ma, Qi; Liu, Chenxi; Wang, Hailong; Jiang, Jianzhuang","Synthesis, crystal structures, and luminescence properties of seven tripodal imidazole-based Zn/Cd(ii) coordination polymers induced by tricarboxylates","CrystEngComm","2014","16","21","4554","","10.1039/c4ce00212a","","","0.71073","MoKα","","0.0583","0.0464","","","0.1002","0.1043","","","","","","1.044","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214477","5.764","0.002","7.64","0.002","12.283","0.004","90","","96.901","0.011","90","","537","0.3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(urea) fumaric acid","bis(urea) (E)-butenedioic acid","","- C6 H12 N4 O6 -","- C6 H12 N4 O6 -","- C12 H24 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","0.71073","MoKα","","0.0442","0.035","","","0.0783","0.0832","","","","","","1.038","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214478","5.671","0.004","7.888","0.005","12.348","0.01","90","","96.719","0.003","90","","548.6","0.7","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(urea) fumaric acid","bis(urea) (E)-butenedioic acid","","- C6 H12 N4 O6 -","- C6 H12 N4 O6 -","- C12 H24 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","0.71073","MoKα","","0.0481","0.0328","","","0.0826","0.0951","","","","","","1.132","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214479","5.541","0.006","8.214","0.007","12.427","0.012","90","","97.314","0.008","90","","561","0.9","300","","300","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(urea) fumaric acid","bis(urea) (E)-butenedioic acid","","- C6 H12 N4 O6 -","- C6 H12 N4 O6 -","- C12 H24 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","0.71073","MoKα","","0.0768","0.0577","","","0.1046","0.1114","","","","","","1.2","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214480","7.89","0.005","5.79","0.005","13.65","0.005","90","","91.22","","90","","623.4","0.7","20","","20","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bis(methylurea) succinic acid","bis(N-methylurea) butanedioic acid","","- C8 H18 N4 O6 -","- C8 H18 N4 O6 -","- C16 H36 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","","neutron","","0.0896","0.0538","","","0.081","0.086","","","","","","1.344","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214481","8.02","0.005","5.75","0.005","13.74","0.005","90","","91.43","","90","","633.4","0.7","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bis(methylurea) succinic acid","bis(N-methylurea) butanedioic acid","","- C8 H18 N4 O6 -","- C8 H18 N4 O6 -","- C16 H36 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","","neutron","","0.08","0.0497","","","0.0881","0.092","","","","","","1.444","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214482","8.29","0.005","5.66","0.005","13.78","0.005","90","","91.8","","90","","646.3","0.7","200","","200","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bis(methylurea) succinic acid","bis(N-methylurea) butanedioic acid","","- C8 H18 N4 O6 -","- C8 H18 N4 O6 -","- C16 H36 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","","neutron","","0.0906","0.053","","","0.0928","0.0983","","","","","","1.472","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214483","8.54","0.005","5.58","0.005","13.84","0.005","90","","92.92","","90","","658.7","0.7","300","","300","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bis(methylurea) succinic acid","bis(N-methylurea) butanedioic acid","","- C8 H18 N4 O6 -","- C8 H18 N4 O6 -","- C16 H36 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","","neutron","","0.0814","0.0441","","","0.0803","0.0852","","","","","","1.381","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214484","8.0244","0.0012","5.7496","0.0007","13.735","0.002","90","","91.246","0.005","90","","633.54","0.15","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bis(methylurea) succinic acid","bis(N-methylurea) butanedioic acid","","- C8 H18 N4 O6 -","- C8 H18 N4 O6 -","- C16 H36 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","0.71073","MoKα","","0.0371","0.0334","","","0.089","0.0918","","","","","","1.09","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214485","8.2868","0.0007","5.6618","0.0003","13.7761","0.0011","90","","91.799","0.004","90","","646.03","0.08","200","","200","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bis(methylurea) succinic acid","bis(N-methylurea) butanedioic acid","","- C8 H18 N4 O6 -","- C8 H18 N4 O6 -","- C16 H36 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","0.71073","MoKα","","0.0455","0.0353","","","0.0997","0.1077","","","","","","1.122","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214486","8.5398","0.0008","5.5798","0.0004","13.8377","0.0016","90","","92.291","0.004","90","","658.84","0.11","300","","300","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bis(methylurea) succinic acid","bis(N-methylurea) butanedioic acid","","- C8 H18 N4 O6 -","- C8 H18 N4 O6 -","- C16 H36 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","0.71073","MoKα","","0.0773","0.0432","","","0.1107","0.1464","","","","","","1.159","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214487","8.3188","0.001","5.6497","0.0005","13.8382","0.0013","90","","104.156","0.004","90","","630.63","0.11","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bis(methylurea) fumaric acid","bis(N-methylurea) trans-butenedioic acid","","- C8 H16 N4 O6 -","- C8 H16 N4 O6 -","- C16 H32 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","0.71075","MoKα","","0.0435","0.0327","","","0.0745","0.0804","","","","","","1.07","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214488","8.5509","0.0016","5.5691","0.0008","13.909","0.002","90","","102.959","0.007","90","","645.49","0.18","200","","200","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bis(methylurea) fumaric acid","bis(N-methylurea) trans-butenedioic acid","","- C8 H16 N4 O6 -","- C8 H16 N4 O6 -","- C16 H32 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","0.71075","MoKα","","0.0656","0.0398","","","0.0933","0.1043","","","","","","1.074","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214489","8.7741","0.0014","5.4413","0.0007","13.9303","0.0019","90","","100.73","0.006","90","","653.44","0.16","300","","300","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bis(methylurea) fumaric acid","bis(N-methylurea) trans-butenedioic acid","","- C8 H16 N4 O6 -","- C8 H16 N4 O6 -","- C16 H32 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","0.71075","MoKα","","0.0949","0.0487","","","0.0962","0.1168","","","","","","1.031","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214490","5.1081","0.0008","10.5388","0.0014","10.2233","0.0014","90","","102.717","0.007","90","","536.85","0.13","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N-methylurea oxalic acid","N-methylurea ethandioic acid","","- C6 H14 N4 O6 -","- C6 H14 N4 O6 -","- C12 H28 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","0.71075","MoKα","","0.0696","0.0432","","","0.1088","0.1261","","","","","","1.173","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214491","5.1464","0.0014","10.555","0.002","10.313","0.003","90","","101.835","0.013","90","","548.3","0.2","300","","300","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N-methylurea oxalic acid","N-methylurea ethandioic acid","","- C6 H14 N4 O6 -","- C6 H14 N4 O6 -","- C12 H28 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","0.71075","MoKα","","0.079","0.0508","","","0.111","0.1231","","","","","","1.061","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214492","8.35","0.005","5.44","0.005","15.43","0.005","90","","101.95","0.01","90","","685.7","0.8","20","","20","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(N,N-dimethylurea) succinic acid","bis(N,N-dimethylurea) butanedioic acid","","- C10 H22 N4 O6 -","- C10 H22 N4 O6 -","- C20 H44 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","","neutron","","0.0871","0.0502","","","0.0779","0.0838","","","","","","1.281","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214493","8.4","0.005","5.47","0.005","15.47","0.005","90","","101.95","0.01","90","","695.4","0.8","50","","50","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(N,N-dimethylurea) succinic acid","bis(N,N-dimethylurea) butanedioic acid","","- C10 H22 N4 O6 -","- C10 H22 N4 O6 -","- C20 H44 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","","neutron","","0.08","0.0473","","","0.0777","0.0838","","","","","","1.217","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214494","8.483","0.003","5.5169","0.0014","15.415","0.005","90","","101.677","0.008","90","","706.5","0.4","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(N,N-dimethylurea) succinic acid","bis(N,N-dimethylurea) butanedioic acid","","- C10 H22 N4 O6 -","- C10 H22 N4 O6 -","- C20 H44 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","0.71073","MoKα","","0.033","0.0308","","","0.088","0.09","","","","","","1.086","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214495","8.6629","0.0012","5.6284","0.0006","15.152","0.002","90","","100.948","0.004","90","","725.34","0.16","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(N,N-dimethylurea) succinic acid","bis(N,N-dimethylurea) butanedioic acid","","- C10 H22 N4 O6 -","- C10 H22 N4 O6 -","- C20 H44 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","0.71073","MoKα","","0.0408","0.0373","","","0.1078","0.1113","","","","","","1.081","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214496","8.797","0.002","5.6934","0.0013","15.059","0.004","90","","100.764","0.007","90","","741","0.3","300","","300","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(N,N-dimethylurea) succinic acid","bis(N,N-dimethylurea) butanedioic acid","","- C10 H22 N4 O6 -","- C10 H22 N4 O6 -","- C20 H44 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","0.71073","MoKα","","0.0534","0.0472","","","0.1364","0.1435","","","","","","1.072","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214497","5.8025","0.0008","18.158","0.002","6.8184","0.0008","90","","101.019","0.004","90","","705.15","0.15","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bis(N,N-dimethylurea) fumaric acid","bis(N,N-Dimethylurea) trans-butenedioic acid","","- C10 H20 N4 O6 -","- C10 H20 N4 O6 -","- C20 H40 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","0.71075","MoKα","","0.0525","0.0417","","","0.1139","0.1251","","","","","","1.13","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214498","5.864","0.0005","18.2369","0.0011","6.8458","0.0004","90","","101.33","0.003","90","","717.83","0.09","200","","200","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bis(N,N-dimethylurea) fumaric acid","bis(N,N-Dimethylurea) trans-butenedioic acid","","- C10 H20 N4 O6 -","- C10 H20 N4 O6 -","- C20 H40 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","0.71075","MoKα","","0.0485","0.0397","","","0.1113","0.1196","","","","","","1.081","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214499","5.924","0.004","18.376","0.009","6.873","0.005","90","","101.293","0.005","90","","733.7","0.8","300","","300","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bis(N,N-dimethylurea) fumaric acid","bis(N,N-Dimethylurea) trans-butenedioic acid","","- C10 H20 N4 O6 -","- C10 H20 N4 O6 -","- C20 H40 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","0.71073","MoKα","","0.0802","0.0507","","","0.1438","0.1693","","","","","","1.082","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214500","5.71","0.0006","7.97","0.001","12.16","0.0013","90","","96.16","0.004","90","","550.19","0.11","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(urea) succinic acid","bis(urea) butanedioic acid","","- C6 H14 N4 O6 -","- C6 H14 N4 O6 -","- C12 H28 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","","neutron","","0.0734","0.0453","","","0.0749","0.08","","","","","","1.258","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214501","5.67","0.0006","8.12","0.001","12.22","0.0013","90","","96.38","0.004","90","","559.13","0.11","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(urea) succinic acid","bis(urea) butanedioic acid","","- C6 H14 N4 O6 -","- C6 H14 N4 O6 -","- C12 H28 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","","neutron","","0.0565","0.0355","","","0.0642","0.0691","","","","","","1.235","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214502","5.64","0.0006","8.26","0.001","12.28","0.0013","90","","96.66","0.004","90","","568.22","0.11","300","","300","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(urea) succinic acid","bis(urea) butanedioic acid","","- C6 H14 N4 O6 -","- C6 H14 N4 O6 -","- C12 H28 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","","neutron","","0.0678","0.0423","","","0.0746","0.0787","","","","","","1.368","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214503","5.7109","0.0007","7.9698","0.0011","12.158","0.0015","90","","96.16","0.004","90","","550.17","0.12","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(urea) succinic acid","bis(urea) butanedioic acid","","- C6 H14 N4 O6 -","- C6 H14 N4 O6 -","- C12 H28 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","0.71075","MoKα","","0.035","0.0299","","","0.0793","0.083","","","","","","1.069","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214504","5.6706","0.0005","8.1227","0.0007","12.2182","0.001","90","","96.375","0.003","90","","559.3","0.08","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(urea) succinic acid","bis(urea) butanedioic acid","","- C6 H14 N4 O6 -","- C6 H14 N4 O6 -","- C12 H28 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","0.71075","MoKα","","0.0382","0.0315","","","0.0826","0.0896","","","","","","1.091","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214505","5.6366","0.0006","8.2568","0.001","12.279","0.0013","90","","96.659","0.004","90","","567.61","0.11","300","","300","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(urea) succinic acid","bis(urea) butanedioic acid","","- C6 H14 N4 O6 -","- C6 H14 N4 O6 -","- C12 H28 N8 O12 -","2","0.5","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","0.71075","MoKα","","0.0621","0.0351","","","0.0848","0.1074","","","","","","1.142","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214506","5.7976","0.001","7.5666","0.001","12.351","0.003","90","","97.03","0.03","90","","537.74","0.18","30","2","30","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H6 N2 O3 -","- C3 H6 N2 O3 -","- C12 H24 N8 O12 -","4","1","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","","neutron","","0.0501","0.0501","","","","0.1268","","","","","","1.126","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214507","5.766","0.002","7.666","0.003","12.332","0.005","90","","96.81","0.03","90","","541.3","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(Urea) fumaric acid","","","- C3 H6 N2 O3 -","- C3 H6 N2 O3 -","- C12 H24 N8 O12 -","4","1","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","","neutron","","0.0552","0.0552","","","0.1145","0.1145","","","","","","1.046","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214508","5.676","0.002","7.912","0.003","12.366","0.005","90","","96.66","0.03","90","","551.6","0.4","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(Urea) fumaric acid","","","- C3 H6 N2 O3 -","- C3 H6 N2 O3 -","- C12 H24 N8 O12 -","4","1","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","","neutron","","0.0558","0.0558","","","0.1247","0.1247","","","","","","1.091","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214509","5.549","0.002","8.239","0.003","12.445","0.004","90","","97.24","0.03","90","","564.4","0.3","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(Urea) fumaric acid","","","- C3 H6 N2 O3 -","- C3 H6 N2 O3 -","- C12 H24 N8 O12 -","4","1","","Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H.","Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes","CrystEngComm","2014","16","35","8177","","10.1039/C4CE00587B","","","","neutron","","0.0566","0.0566","","","0.13","0.1301","","","","","","1.096","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214510","7.4865","0.0014","13.522","0.003","17.24","0.003","67.769","0.009","81.362","0.009","79.166","0.009","1580.7","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H16 Cl6 I2 N2 O2 -","- C28 H16 Cl6 I2 N2 O2 -","- C56 H32 Cl12 I4 N4 O4 -","2","1","","Baldrighi, Michele; Bartesaghi, Davide; Cavallo, Gabriella; Chierotti, Michele R.; Gobetto, Roberto; Metrangolo, Pierangelo; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo","Polymorphs and co-crystals of haloprogin: an antifungal agent","CrystEngComm","2014","16","26","5897","","10.1039/c4ce00367e","","","0.71073","MoKα","","0.0546","0.0303","","","0.0633","0.0733","","","","","","1.004","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214511","8.557","0.002","14.816","0.003","31.189","0.006","90","","90","","90","","3954.2","1.4","103","2","103","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C34 H44 Cl7 I2 N O2 -","- C34 H44 Cl7 I2 N O2 -","- C136 H176 Cl28 I8 N4 O8 -","4","0.5","","Baldrighi, Michele; Bartesaghi, Davide; Cavallo, Gabriella; Chierotti, Michele R.; Gobetto, Roberto; Metrangolo, Pierangelo; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo","Polymorphs and co-crystals of haloprogin: an antifungal agent","CrystEngComm","2014","16","26","5897","","10.1039/c4ce00367e","","","0.71073","MoKα","","0.0405","0.0267","","","0.0497","0.0537","","","","","","1.086","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214512","8.9174","0.0009","15.2187","0.0012","31.429","0.003","90","","90","","90","","4265.3","0.7","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C34 H44 Cl6 I3 N O2 -","- C34 H44 Cl6 I3 N O2 -","- C136 H176 Cl24 I12 N4 O8 -","4","0.5","","Baldrighi, Michele; Bartesaghi, Davide; Cavallo, Gabriella; Chierotti, Michele R.; Gobetto, Roberto; Metrangolo, Pierangelo; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo","Polymorphs and co-crystals of haloprogin: an antifungal agent","CrystEngComm","2014","16","26","5897","","10.1039/c4ce00367e","","","0.71073","MoKα","","0.0524","0.0341","","","0.0736","0.0869","","","","","","1.079","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214513","22.173","0.002","7.687","0.0007","13.8308","0.0013","90","","109.181","0.004","90","","2226.5","0.4","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H4 Cl3 I O -","- C9 H4 Cl3 I O -","- C72 H32 Cl24 I8 O8 -","8","1","","Baldrighi, Michele; Bartesaghi, Davide; Cavallo, Gabriella; Chierotti, Michele R.; Gobetto, Roberto; Metrangolo, Pierangelo; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo","Polymorphs and co-crystals of haloprogin: an antifungal agent","CrystEngComm","2014","16","26","5897","","10.1039/c4ce00367e","","","0.71073","MoKα","","0.0452","0.0366","","","0.1035","0.1082","","","","","","1.058","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214514","4.2659","0.0006","10.4936","0.0014","13.3814","0.0016","108.226","0.012","93.893","0.012","90.291","0.012","567.43","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H4 Cl3 I O -","- C9 H4 Cl3 I O -","- C18 H8 Cl6 I2 O2 -","2","1","","Baldrighi, Michele; Bartesaghi, Davide; Cavallo, Gabriella; Chierotti, Michele R.; Gobetto, Roberto; Metrangolo, Pierangelo; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo","Polymorphs and co-crystals of haloprogin: an antifungal agent","CrystEngComm","2014","16","26","5897","","10.1039/c4ce00367e","","","0.71073","MoKα","","0.0385","0.0314","","","0.0737","0.0785","","","","","","1.059","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214515","31.1","0.005","5.3807","0.0007","13.861","0.002","90","","107.05","0.005","90","","2217.6","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H3 Cl3 I O -","- C9 H4 Cl3 I O -","- C72 H32 Cl24 I8 O8 -","8","1","","Baldrighi, Michele; Bartesaghi, Davide; Cavallo, Gabriella; Chierotti, Michele R.; Gobetto, Roberto; Metrangolo, Pierangelo; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo","Polymorphs and co-crystals of haloprogin: an antifungal agent","CrystEngComm","2014","16","26","5897","","10.1039/c4ce00367e","","","0.71073","MoKα","","0.1436","0.1236","","","0.2744","0.2992","","","","","","1.044","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214516","11.4377","0.0005","10.9909","0.0004","23.6256","0.001","90","","101.327","0.002","90","","2912.1","0.2","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C30 H20 Cd N4 O6 -","- C30 H20 Cd N4 O6 -","- C120 H80 Cd4 N16 O24 -","4","1","","Huang, Shu-Yun; Li, Jian-Qiang; Liu, Shu-Juan; Ning, Yang; Meng, Li-Na; Li, Jin-Yuan; Luo, Ming-Biao; Luo, Feng","Construction and modulation of structural diversity in acylamide-MOFs","CrystEngComm","2014","16","25","5608","","10.1039/c4ce00490f","","","0.71073","MoKα","","0.0692","0.0655","","","0.166","0.1683","","","","","","1.113","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214517","10.7918","0.0004","22.0438","0.0009","29.3454","0.0011","78.661","0.002","81.342","0.002","83.766","0.003","6744.3","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C120 H80 Cd4 N16 O28.5 -","- C120 H80 Cd4 N16 O28.5 -","- C240 H160 Cd8 N32 O57 -","2","1","","Huang, Shu-Yun; Li, Jian-Qiang; Liu, Shu-Juan; Ning, Yang; Meng, Li-Na; Li, Jin-Yuan; Luo, Ming-Biao; Luo, Feng","Construction and modulation of structural diversity in acylamide-MOFs","CrystEngComm","2014","16","25","5608","","10.1039/c4ce00490f","","","0.71073","MoKα","","0.0778","0.0548","","","0.1464","0.1537","","","","","","1.059","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214518","27.665","0.011","21.903","0.007","29.854","0.009","90","","90","","90","","18090","11","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C90 H57 N15 O24 Zn3 -","- C90 H57 N15 O24 Zn3 -","- C720 H456 N120 O192 Zn24 -","8","1","","Huang, Shu-Yun; Li, Jian-Qiang; Liu, Shu-Juan; Ning, Yang; Meng, Li-Na; Li, Jin-Yuan; Luo, Ming-Biao; Luo, Feng","Construction and modulation of structural diversity in acylamide-MOFs","CrystEngComm","2014","16","25","5608","","10.1039/c4ce00490f","","","0.71073","MoKα","","0.138","0.0766","","","0.1852","0.2179","","","","","","0.977","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214519","15.0919","0.0005","14.1967","0.0005","18.1636","0.0006","90","","112.283","0.002","90","","3601","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H24 N6 O14 Zn -","- C38 H24 N6 O14 Zn -","- C152 H96 N24 O56 Zn4 -","4","1","","Huang, Shu-Yun; Li, Jian-Qiang; Liu, Shu-Juan; Ning, Yang; Meng, Li-Na; Li, Jin-Yuan; Luo, Ming-Biao; Luo, Feng","Construction and modulation of structural diversity in acylamide-MOFs","CrystEngComm","2014","16","25","5608","","10.1039/c4ce00490f","","","0.71073","MoKα","","0.0669","0.0425","","","0.0971","0.1073","","","","","","1.026","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214520","11.8446","0.0002","16.2081","0.0002","15.5426","0.0002","90","","116.373","0.001","90","","2673.29","0.07","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H20 N4 O8.5 Zn -","- C31 H20 N4 O8.5 Zn -","- C124 H80 N16 O34 Zn4 -","4","1","","Huang, Shu-Yun; Li, Jian-Qiang; Liu, Shu-Juan; Ning, Yang; Meng, Li-Na; Li, Jin-Yuan; Luo, Ming-Biao; Luo, Feng","Construction and modulation of structural diversity in acylamide-MOFs","CrystEngComm","2014","16","25","5608","","10.1039/c4ce00490f","","","0.71073","MoKα","","0.0402","0.0357","","","0.0823","0.085","","","","","","1.07","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7214521","8.5394","0.0007","17.9536","0.0016","14.646","0.001","90","","118.236","0.004","90","","1978.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H13 N2 O5 Zn -","- C23 H13 N2 O5 Zn -","- C92 H52 N8 O20 Zn4 -","4","1","","Huang, Shu-Yun; Li, Jian-Qiang; Liu, Shu-Juan; Ning, Yang; Meng, Li-Na; Li, Jin-Yuan; Luo, Ming-Biao; Luo, Feng","Construction and modulation of structural diversity in acylamide-MOFs","CrystEngComm","2014","16","25","5608","","10.1039/c4ce00490f","","","0.71073","MoKα","","0.0674","0.0547","","","0.1559","0.1673","","","","","","1.06","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214522","9.9223","0.0002","14.9699","0.0003","21.0207","0.0004","77.365","0.001","81.01","0.001","82.377","0.001","2993.54","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H40 N8 O12 Zn2 -","- C60 H40 N8 O12 Zn2 -","- C120 H80 N16 O24 Zn4 -","2","1","","Huang, Shu-Yun; Li, Jian-Qiang; Liu, Shu-Juan; Ning, Yang; Meng, Li-Na; Li, Jin-Yuan; Luo, Ming-Biao; Luo, Feng","Construction and modulation of structural diversity in acylamide-MOFs","CrystEngComm","2014","16","25","5608","","10.1039/c4ce00490f","","","0.71073","MoKα","","0.061","0.0417","","","0.1105","0.1165","","","","","","1.038","","","","has coordinates,has disorder","180476","2020-10-21","18:00:00",""
"7214523","20.507","0.009","16.63","0.007","14.456","0.006","90","","113.214","0.007","90","","4531","3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H25 N6 O13 Tb -","- C13 H15 N6 O13 Tb -","- C104 H120 N48 O104 Tb8 -","8","1","","Huang, Yihui; Zhu, Qilong; Sheng, Tianlu; Hu, Shengmin; Fu, Ruibiao; Shen, Chaojun; Tan, Chunhong; Wen, Yuehong; Bai, Songyan; Wu, Xintao","Lanthanide coordination polymers assembled from triazine-based flexible polycarboxylate ligands and their luminescent properties","CrystEngComm","2013","15","18","3560","","10.1039/c3ce27020c","","","0.71073","MoKα","","0.079","0.0631","","","0.1687","0.1838","","","","","","1.063","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214524","11.252","0.006","15.764","0.009","9.851","0.006","90","","93.173","0.008","90","","1744.7","1.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H16 Eu N6 O11 -","- C11 H16 Eu N6 O11 -","- C44 H64 Eu4 N24 O44 -","4","1","","Huang, Yihui; Zhu, Qilong; Sheng, Tianlu; Hu, Shengmin; Fu, Ruibiao; Shen, Chaojun; Tan, Chunhong; Wen, Yuehong; Bai, Songyan; Wu, Xintao","Lanthanide coordination polymers assembled from triazine-based flexible polycarboxylate ligands and their luminescent properties","CrystEngComm","2013","15","18","3560","","10.1039/c3ce27020c","","","0.71073","MoKα","","0.0628","0.0515","","","0.1464","0.1558","","","","","","1.089","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214525","11.225","0.004","15.717","0.005","9.817","0.003","90","","93.16","0.005","90","","1729.3","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H16 Gd N6 O11 -","- C11 H16 Gd N6 O11 -","- C44 H64 Gd4 N24 O44 -","4","1","","Huang, Yihui; Zhu, Qilong; Sheng, Tianlu; Hu, Shengmin; Fu, Ruibiao; Shen, Chaojun; Tan, Chunhong; Wen, Yuehong; Bai, Songyan; Wu, Xintao","Lanthanide coordination polymers assembled from triazine-based flexible polycarboxylate ligands and their luminescent properties","CrystEngComm","2013","15","18","3560","","10.1039/c3ce27020c","","","0.71073","MoKα","","0.0844","0.0724","","","0.1782","0.1886","","","","","","1.078","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214526","11.1943","0.0006","15.6877","0.0013","9.8087","0.0006","90","","93.125","0.006","90","","1720","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H16 N6 O11 Tb -","- C11 H16 N6 O11 Tb -","- C44 H64 N24 O44 Tb4 -","4","1","","Huang, Yihui; Zhu, Qilong; Sheng, Tianlu; Hu, Shengmin; Fu, Ruibiao; Shen, Chaojun; Tan, Chunhong; Wen, Yuehong; Bai, Songyan; Wu, Xintao","Lanthanide coordination polymers assembled from triazine-based flexible polycarboxylate ligands and their luminescent properties","CrystEngComm","2013","15","18","3560","","10.1039/c3ce27020c","","","0.71073","MoKα","","0.0384","0.0364","","","0.0942","0.0962","","","","","","1.051","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214527","4.664","0.002","13.625","0.006","6.339","0.002","90","","115.82","0.03","90","","362.6","0.3","296","2","293","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C8 H4 Mn O4 -","- C8 H4 Mn O4 -","- C16 H8 Mn2 O8 -","2","0.5","","Li, Ya-Min; Xiao, Chang-Yu; Zhang, Xu-Dong; Xu, Yan-Qing; Lun, Hui-Jie; Niu, Jing-Yang","MnII, CuII and CoII coordination polymers showing antiferromagnetism, and the coexistence of spin frustration and long range magnetic ordering","CrystEngComm","2013","15","38","7756","","10.1039/c3ce41046c","","","0.71073","MoKα","","0.0459","0.0435","","","0.1193","0.1199","","","","","","1.218","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214528","13.171","0.005","5.1292","0.0018","11.719","0.004","90","","110.745","0.006","90","","740.4","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H4 Cu N0 O4 -","- C8 H4 Cu O4 -","- C32 H16 Cu4 O16 -","4","1","","Li, Ya-Min; Xiao, Chang-Yu; Zhang, Xu-Dong; Xu, Yan-Qing; Lun, Hui-Jie; Niu, Jing-Yang","MnII, CuII and CoII coordination polymers showing antiferromagnetism, and the coexistence of spin frustration and long range magnetic ordering","CrystEngComm","2013","15","38","7756","","10.1039/c3ce41046c","","","0.71073","MoKα","","0.0535","0.0444","","","0.107","0.1106","","","","","","1.064","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214529","11.648","0.002","12.091","0.003","11.846","0.003","90","","103.245","0.004","90","","1624","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 Co3 O10 -","- C16 H10 Co3 O10 -","- C64 H40 Co12 O40 -","4","1","","Li, Ya-Min; Xiao, Chang-Yu; Zhang, Xu-Dong; Xu, Yan-Qing; Lun, Hui-Jie; Niu, Jing-Yang","MnII, CuII and CoII coordination polymers showing antiferromagnetism, and the coexistence of spin frustration and long range magnetic ordering","CrystEngComm","2013","15","38","7756","","10.1039/c3ce41046c","","","0.71073","MoKα","","0.0601","0.0409","","","0.1045","0.1136","","","","","","0.966","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214530","18.961","0.004","18.961","0.004","50.901","0.01","90","","90","","120","","15848","6","293","2","293","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C34 H14 Cu3 O15 -","- C34 H14 Cu3 O15 -","- C204 H84 Cu18 O90 -","6","0.25","","Lu, Zhiyong; Du, Liting; Zheng, Baishu; Bai, Junfeng; Zhang, Mingxing; Yun, Ruirui","A highly porous agw-type metal‒organic framework and its CO2 and H2 adsorption capacity","CrystEngComm","2013","15","45","9348","","10.1039/c3ce41119b","","","0.71073","MoKα","","0.17","0.1023","","","0.34","0.3758","","","","","","1.166","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214531","22.6591","0.0011","22.6591","0.0011","12.7035","0.0012","90","","90","","90","","6522.4","0.8","173","2","173","2","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","","","","- C26.5 H27.75 Co N2 O7.38 -","- C26.5 H16 Co N2 O7.38 -","- C212 H128 Co8 N16 O59.04 -","8","1","","Mehlana, Gift; Ramon, Gaëlle; Bourne, Susan A.","Methanol mediated crystal transformations in a solvatochromic metal organic framework constructed from Co(ii) and 4-(4-pyridyl) benzoate","CrystEngComm","2013","15","45","9521","","10.1039/c3ce41064a","","","0.71073","MoKα","","0.0909","0.0666","","","0.2142","0.2347","","","","","","1.051","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7214532","17.0218","0.0005","10.599","0.0003","18.3064","0.0005","90","","106.073","0.001","90","","3173.63","0.16","173","2","173","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C55 H57.9 Co2 N4 O16.35 -","- C55.2 H48 Co2 N4 O16.35 -","- C110.4 H96 Co4 N8 O32.7 -","2","1","","Mehlana, Gift; Ramon, Gaëlle; Bourne, Susan A.","Methanol mediated crystal transformations in a solvatochromic metal organic framework constructed from Co(ii) and 4-(4-pyridyl) benzoate","CrystEngComm","2013","15","45","9521","","10.1039/c3ce41064a","","","0.71073","MoKα","","0.0715","0.0569","","","0.1746","0.1951","","","","","","1.074","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7214533","10.7022","0.0004","10.7022","0.0004","22.8742","0.0019","90","","90","","120","","2268.9","0.2","173","2","173","2","","","","","","","","5","P 32","P 32","145","","","","- C26.4 H24.2 Co N2 O7.1 -","- C26.4 H22 Co N2 O7.1 -","- C79.2 H66 Co3 N6 O21.3 -","3","1","","Mehlana, Gift; Ramon, Gaëlle; Bourne, Susan A.","Methanol mediated crystal transformations in a solvatochromic metal organic framework constructed from Co(ii) and 4-(4-pyridyl) benzoate","CrystEngComm","2013","15","45","9521","","10.1039/c3ce41064a","","","0.71073","MoKα","","0.1398","0.1046","","","0.2944","0.3235","","","","","","1.298","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214534","17.753","0.0015","17.8428","0.0015","19.7082","0.0017","102.91","0.002","102.857","0.002","90.683","0.002","5920","0.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H30 Cu F20 N12 O9 S2 -","- C50 H24 Cu F20 N12 O9 S2 -","- C200 H96 Cu4 F80 N48 O36 S8 -","4","2","","Banerjee, Subhabrata; Dastidar, Parthasarathi","Studying fluorous interactions in a series of coordination compounds derived from mono-pyridyl ligands equipped with hydrogen bonding functionality: exploiting anion⋯πF interaction in separating ClO4− anion from a competing mixture of anions","CrystEngComm","2013","15","45","9415","","10.1039/c3ce40359a","","","0.71073","MoKα","","0.1518","0.0829","","","0.2092","0.2412","","","","","","0.941","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214535","14.069","0.0015","16.4751","0.0018","17.8873","0.0019","70.271","0.002","81.333","0.002","67.876","0.002","3614","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H42 Cd2 F20 N12 O17 S4 -","- C52 H36 Cd2 F20 N12 O17 S4 -","- C104 H72 Cd4 F40 N24 O34 S8 -","2","1","","Banerjee, Subhabrata; Dastidar, Parthasarathi","Studying fluorous interactions in a series of coordination compounds derived from mono-pyridyl ligands equipped with hydrogen bonding functionality: exploiting anion⋯πF interaction in separating ClO4− anion from a competing mixture of anions","CrystEngComm","2013","15","45","9415","","10.1039/c3ce40359a","","","0.71073","MoKα","","0.0997","0.0688","","","0.1769","0.1966","","","","","","1.049","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214536","42.976","0.014","7.96","0.003","8.547","0.003","90","","96.42","0.005","90","","2905.5","1.8","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26 H16 Cl2 Cu F10 N4 O3 -","- C26 H14 Cl2 Cu F10 N4 O3 -","- C104 H56 Cl8 Cu4 F40 N16 O12 -","4","0.5","","Banerjee, Subhabrata; Dastidar, Parthasarathi","Studying fluorous interactions in a series of coordination compounds derived from mono-pyridyl ligands equipped with hydrogen bonding functionality: exploiting anion⋯πF interaction in separating ClO4− anion from a competing mixture of anions","CrystEngComm","2013","15","45","9415","","10.1039/c3ce40359a","","","0.71073","MoKα","","0.1244","0.1141","","","0.2674","0.2736","","","","","","1.309","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214537","16.085","0.0007","16.085","0.0007","20.6375","0.0012","90","","90","","90","","5339.5","0.5","298","2","298","2","","","","","","","","7","P 4/n c c :2","-P 4a 2ac","130","","","","- C48 H22 Cl2 Cu F20 N8 O13 -","- C48 H20 Cl2 Cu F20 N8 O13 -","- C192 H80 Cl8 Cu4 F80 N32 O52 -","4","0.25","","Banerjee, Subhabrata; Dastidar, Parthasarathi","Studying fluorous interactions in a series of coordination compounds derived from mono-pyridyl ligands equipped with hydrogen bonding functionality: exploiting anion⋯πF interaction in separating ClO4− anion from a competing mixture of anions","CrystEngComm","2013","15","45","9415","","10.1039/c3ce40359a","","","0.71073","MoKα","","0.0791","0.0678","","","0.2069","0.2269","","","","","","1.028","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214538","15.859","0.002","20.759","0.003","16.412","0.002","90","","90.95","0.003","90","","5402.4","1.2","100","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H24 B2 Cu F28 N8 O6 -","- C48 H20 B2 Cu F28 N8 O6 -","- C192 H80 B8 Cu4 F112 N32 O24 -","4","1","","Banerjee, Subhabrata; Dastidar, Parthasarathi","Studying fluorous interactions in a series of coordination compounds derived from mono-pyridyl ligands equipped with hydrogen bonding functionality: exploiting anion⋯πF interaction in separating ClO4− anion from a competing mixture of anions","CrystEngComm","2013","15","45","9415","","10.1039/c3ce40359a","","","0.71073","MoKα","","0.1097","0.0729","","","0.1891","0.2206","","","","","","1.031","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214539","22.2079","0.0012","22.2079","0.0012","11.9119","0.0013","90","","90","","90","","5874.8","0.8","100","2","100","2","","","","","","","","7","P 4/n :2","-P 4a","85","","","","- C96 H48 Cl4 Cu2 F40 N16 O12 -","- C96 H40 Cl4 Cu2 F40 N16 O12 -","- C192 H80 Cl8 Cu4 F80 N32 O24 -","2","0.25","","Banerjee, Subhabrata; Dastidar, Parthasarathi","Studying fluorous interactions in a series of coordination compounds derived from mono-pyridyl ligands equipped with hydrogen bonding functionality: exploiting anion⋯πF interaction in separating ClO4− anion from a competing mixture of anions","CrystEngComm","2013","15","45","9415","","10.1039/c3ce40359a","","","0.71073","MoKα","","0.1122","0.0982","","","0.2629","0.2771","","","","","","1.005","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214540","20.7225","0.0011","10.7393","0.0006","23.8872","0.0013","90","","101.536","0.001","90","","5208.6","0.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H20 Cl4 Cu2 F20 N8 O5 -","- C48 H20 Cl4 Cu2 F20 N8 O5 -","- C192 H80 Cl16 Cu8 F80 N32 O20 -","4","1","","Banerjee, Subhabrata; Dastidar, Parthasarathi","Studying fluorous interactions in a series of coordination compounds derived from mono-pyridyl ligands equipped with hydrogen bonding functionality: exploiting anion⋯πF interaction in separating ClO4− anion from a competing mixture of anions","CrystEngComm","2013","15","45","9415","","10.1039/c3ce40359a","","","0.71073","MoKα","","0.0663","0.0441","","","0.1258","0.1452","","","","","","0.975","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214541","12.1671","0.0009","14.9959","0.0012","7.1861","0.0005","90","","100.349","0.002","90","","1289.82","0.17","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H10 Cl2 Cu F10 N4 O2 -","- C24 H10 Cl2 Cu F10 N4 O2 -","- C48 H20 Cl4 Cu2 F20 N8 O4 -","2","0.5","","Banerjee, Subhabrata; Dastidar, Parthasarathi","Studying fluorous interactions in a series of coordination compounds derived from mono-pyridyl ligands equipped with hydrogen bonding functionality: exploiting anion⋯πF interaction in separating ClO4− anion from a competing mixture of anions","CrystEngComm","2013","15","45","9415","","10.1039/c3ce40359a","","","0.71073","MoKα","","0.0512","0.0399","","","0.1169","0.1283","","","","","","0.984","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214542","17.8802","0.0014","17.8802","0.0014","8.4406","0.0009","90","","90","","90","","2698.5","0.4","298","2","298","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C48 H45 Cu N12 O15 S -","- C48 H45 Cu N12 O15 S -","- C96 H90 Cu2 N24 O30 S2 -","2","0.25","","Banerjee, Subhabrata; Dastidar, Parthasarathi","Studying fluorous interactions in a series of coordination compounds derived from mono-pyridyl ligands equipped with hydrogen bonding functionality: exploiting anion⋯πF interaction in separating ClO4− anion from a competing mixture of anions","CrystEngComm","2013","15","45","9415","","10.1039/c3ce40359a","","","0.71073","MoKα","","0.0847","0.0784","","","0.2371","0.2412","","","","","","1.16","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214543","4.8692","0.0008","47.735","0.008","6.2805","0.001","90","","91.129","0.004","90","","1459.5","0.4","298","2","298","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C26 H16 Cu F10 N4 O7 S -","- C26 H14 Cu F10 N4 O7 S -","- C52 H28 Cu2 F20 N8 O14 S2 -","2","0.5","","Banerjee, Subhabrata; Dastidar, Parthasarathi","Studying fluorous interactions in a series of coordination compounds derived from mono-pyridyl ligands equipped with hydrogen bonding functionality: exploiting anion⋯πF interaction in separating ClO4− anion from a competing mixture of anions","CrystEngComm","2013","15","45","9415","","10.1039/c3ce40359a","","","0.71073","MoKα","","0.1148","0.0949","","","0.22","0.2359","","","","","","1.261","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214544","42.46","0.015","8.054","0.003","18.087","0.006","90","","98.341","0.006","90","","6120","4","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H34 Cu F26 N8 O7 Si -","- C52 H28 Cu F26 N8 O7 Si -","- C208 H112 Cu4 F104 N32 O28 Si4 -","4","0.5","","Banerjee, Subhabrata; Dastidar, Parthasarathi","Studying fluorous interactions in a series of coordination compounds derived from mono-pyridyl ligands equipped with hydrogen bonding functionality: exploiting anion⋯πF interaction in separating ClO4− anion from a competing mixture of anions","CrystEngComm","2013","15","45","9415","","10.1039/c3ce40359a","","","0.71073","MoKα","","0.1386","0.0916","","","0.2497","0.2937","","","","","","0.995","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214545","13.758","0.0011","25.2156","0.0018","14.9205","0.0011","90","","111.399","0.004","90","","4819.3","0.6","250","2","250","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(Zn(bpdc-[NO2]2(dabco)(DMF))n","","","- C20 H10 N4 O9 Zn -","- C20 H10 N4 O9 Zn -","- C160 H80 N32 O72 Zn8 -","8","1","","Dau, Phuong V.; Cohen, Seth M.","The influence of nitro groups on the topology and gas sorption property of extended Zn(ii)-paddlewheel MOFs","CrystEngComm","2013","15","45","9304","","10.1039/c3ce41124a","","","1.54178","CuKα","","0.0704","0.0645","","","0.1942","0.2009","","","","","","1.118","","","","has coordinates,has disorder","180476","2020-10-21","18:00:00",""
"7214546","28.0614","0.0011","30.0942","0.0019","30.0947","0.0012","90","","90","","90","","25415","2","250","2","250","2","","","","","","","","5","F m m m","-F 2 2","69","BMOF-1-bpdc-[NO2]2","","","- C48 H0 N8 O17 Zn2 -","- C48 N8 O17.002 Zn2 -","- C768 N128 O272.032 Zn32 -","16","0.5","","Dau, Phuong V.; Cohen, Seth M.","The influence of nitro groups on the topology and gas sorption property of extended Zn(ii)-paddlewheel MOFs","CrystEngComm","2013","15","45","9304","","10.1039/c3ce41124a","","","1.54178","CuKα","","0.1671","0.1579","","","0.5586","0.5968","","","","","","1.097","","","","has coordinates,has disorder","180476","2020-10-21","18:00:00",""
"7214547","21.3799","0.0018","21.4597","0.0018","27.944","0.002","90","","90","","90","","12820.9","1.8","250","2","250","2","","","","","","","","5","C c c m","-C 2 2c","66","BMOF-1-bpdc-NO2","","","- C38 H8 N6 O8 Zn2 -","- C37.92 H8 N6 O8 Zn2 -","- C151.68 H32 N24 O32 Zn8 -","4","0.25","","Dau, Phuong V.; Cohen, Seth M.","The influence of nitro groups on the topology and gas sorption property of extended Zn(ii)-paddlewheel MOFs","CrystEngComm","2013","15","45","9304","","10.1039/c3ce41124a","","","0.71073","MoKα","","0.0886","0.0466","","","0.1265","0.1379","","","","","","0.993","","","","has coordinates,has disorder","180476","2020-10-21","18:00:00",""
"7214548","21.355","0.002","21.355","0.002","19.211","0.002","90","","90","","90","","8760.9","1.5","250","2","250","2","","","","","","","","5","I 4/m c m","-I 4 2c","140","DMOF-1-bpdc-NO2","","","- C36 H0 N2 O8 Zn2 -","- C36 N2 O8 Zn2 -","- C144 N8 O32 Zn8 -","4","0.125","","Dau, Phuong V.; Cohen, Seth M.","The influence of nitro groups on the topology and gas sorption property of extended Zn(ii)-paddlewheel MOFs","CrystEngComm","2013","15","45","9304","","10.1039/c3ce41124a","","","0.71073","MoKα","","0.1058","0.0647","","","0.2214","0.2398","","","","","","1.014","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214549","20.8424","0.0008","10.6114","0.0003","9.0023","0.0004","90","","111.686","0.004","90","","1850.09","0.13","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H8 Mo O7 P -","- C4 H8 Mo O7 P -","- C32 H64 Mo8 O56 P8 -","8","1","","Ayi, Ayi A.; Burrows, Andrew D.; Mahon, Mary F.; Sebestyen, Viorica M.","A molybdenum diphosphonate network structure exhibiting reversible dehydration and selective uptake of methanol","CrystEngComm","2013","15","45","9301","","10.1039/c3ce40484f","","","0.7107","MoKα","","0.0328","0.02","","","0.0405","0.0415","","","","","","0.946","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214550","17.4807","0.0003","17.4807","0.0003","10.435","0.0002","90","","90","","120","","2761.47","0.09","100","2","100","2","","","","","","","","5","P 61","P 61","169","ThrZnOAc","","","- C12 H26 N2 O10 Zn -","- C12 H16 N2 O10 Zn -","- C72 H96 N12 O60 Zn6 -","6","1","","Kundu, Tanay; Sahoo, Subash Chandra; Banerjee, Rahul","Relating pore hydrophilicity with vapour adsorption capacity in a series of amino acid based metal organic frameworks","CrystEngComm","2013","15","45","9634","","10.1039/c3ce41083h","","","0.71073","MoKα","","0.0533","0.0513","","","0.1358","0.1378","","","","","","1.051","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214551","20.3296","0.0018","10.0183","0.0009","20.7795","0.0019","90","","103.925","0.001","90","","4107.7","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H42 N6 O16 Zn2 -","- C42 H30 N6 O16 Zn2 -","- C168 H120 N24 O64 Zn8 -","4","0.5","","He, Xiang; Lu, Xiao-Peng; Tian, Yu-Yang; Li, Ming-Xing; Zhu, Shourong; Xing, Feifei; Morris, Russell E.","Controlling interpenetration in metal‒organic frameworks by tuning the conformations of flexible bis(triazole) ligands","CrystEngComm","2013","15","45","9437","","10.1039/c3ce40445e","","","0.71073","MoKα","","0.0853","0.0602","","","0.1417","0.1617","","","","","","1.072","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214552","10.1203","0.0019","12.479","0.002","12.856","0.002","114.531","0.002","100.79","0.002","92.305","0.002","1438.2","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H46 N12 O10 Zn2 -","- C60 H46 N12 O10 Zn2 -","- C60 H46 N12 O10 Zn2 -","1","0.5","","He, Xiang; Lu, Xiao-Peng; Tian, Yu-Yang; Li, Ming-Xing; Zhu, Shourong; Xing, Feifei; Morris, Russell E.","Controlling interpenetration in metal‒organic frameworks by tuning the conformations of flexible bis(triazole) ligands","CrystEngComm","2013","15","45","9437","","10.1039/c3ce40445e","","","0.71073","MoKα","","0.117","0.0806","","","0.236","0.2581","","","","","","1.101","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214553","16.1284","0.0002","16.1284","0.0002","5.2134","0.0001","90","","90","","90","","1356.14","0.04","298","2","298","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C24 H20 Cd Cl2 N8 O4 -","- C24 H20 Cd Cl2 N8 O4 -","- C48 H40 Cd2 Cl4 N16 O8 -","2","0.25","","Bhattacharya, Biswajit; Dey, Rajdip; Maity, Dilip Kumar; Ghoshal, Debajyoti","Formation of three new metal organic hybrids of Cd(ii) with N,N′ donor spacer: an in situ perchlorate to chloride transformation","CrystEngComm","2013","15","45","9457","","10.1039/c3ce40754c","","","0.71073","MoKα","","0.0258","0.0243","","","0.0676","0.0686","","","","","","1.068","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214554","10.6965","0.0005","10.9917","0.0005","11.8093","0.0005","99.715","0.002","98.778","0.002","92.825","0.002","1348.49","0.11","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H44 Cd Cl2 N16 O10 -","- C48 H44 Cd Cl2 N16 O10 -","- C48 H44 Cd Cl2 N16 O10 -","1","0.5","","Bhattacharya, Biswajit; Dey, Rajdip; Maity, Dilip Kumar; Ghoshal, Debajyoti","Formation of three new metal organic hybrids of Cd(ii) with N,N′ donor spacer: an in situ perchlorate to chloride transformation","CrystEngComm","2013","15","45","9457","","10.1039/c3ce40754c","","","0.71073","MoKα","","0.0491","0.0447","","","0.1352","0.1399","","","","","","1.04","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214555","7.4763","0.0001","8.3707","0.0001","9.0121","0.0001","93.246","0.001","113.291","0.001","105.23","0.001","491.575","0.012","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H22 Cd N4 O8 -","- C16 H22 Cd N4 O8 -","- C16 H22 Cd N4 O8 -","1","0.5","","Bhattacharya, Biswajit; Dey, Rajdip; Maity, Dilip Kumar; Ghoshal, Debajyoti","Formation of three new metal organic hybrids of Cd(ii) with N,N′ donor spacer: an in situ perchlorate to chloride transformation","CrystEngComm","2013","15","45","9457","","10.1039/c3ce40754c","","","0.71073","MoKα","","0.018","0.0178","","","0.0476","0.0477","","","","","","1.097","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214556","5.8966","0.0003","26.491","0.0016","9.3632","0.0006","90","","104.022","0.002","90","","1419.01","0.14","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H10 N2 O7 Sr -","- C13 H10 N2 O7 Sr -","- C52 H40 N8 O28 Sr4 -","4","1","","Roy, Bijan; Mukherjee, Sandip; Mukherjee, Partha Sarathi","Sr2+ and Cd2+ coordination polymers: the effect of the different coordinating behaviour of a newly designed tricarboxylic acid","CrystEngComm","2013","15","45","9596","","10.1039/c3ce41080c","","","0.71073","MoKα","","0.067","0.0486","","","0.1159","0.1289","","","","","","1.167","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214557","18.775","0.004","11.423","0.002","22.206","0.005","90","","90.663","0.006","90","","4762.1","1.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H53 Cd2 N7 O24 -","- C35 H53 Cd2 N7 O24 -","- C140 H212 Cd8 N28 O96 -","4","1","","Roy, Bijan; Mukherjee, Sandip; Mukherjee, Partha Sarathi","Sr2+ and Cd2+ coordination polymers: the effect of the different coordinating behaviour of a newly designed tricarboxylic acid","CrystEngComm","2013","15","45","9596","","10.1039/c3ce41080c","","","0.71073","MoKα","","0.0739","0.0432","","","0.0841","0.0925","","","","","","1.062","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214558","12.6341","0.0008","35.035","0.002","8.0278","0.0005","90","","104.375","0.003","90","","3442.1","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H36 N10 O10 S -","- C29 H36 N10 O10 S -","- C116 H144 N40 O40 S4 -","4","1","","Chutia, Romen; Dey, Sandeep Kumar; Das, Gopal","A supramolecular dual-host based ion-pair induced formation of 1D coordination polymer","CrystEngComm","2013","15","45","9641","","10.1039/c3ce41054d","","","0.71073","MoKα","","0.1497","0.095","","","0.1733","0.2031","","","","","","1.273","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214559","15.532","0.0005","18.0531","0.0006","18.7587","0.0006","96.715","0.002","94.667","0.002","108.814","0.002","4904.9","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C158 H215.2 K4 N40 O66 -","- C158 H215.2 K4 N40 O66 -","- C158 H215.2 K4 N40 O66 -","1","0.5","","Chutia, Romen; Dey, Sandeep Kumar; Das, Gopal","A supramolecular dual-host based ion-pair induced formation of 1D coordination polymer","CrystEngComm","2013","15","45","9641","","10.1039/c3ce41054d","","","0.71073","MoKα","","0.178","0.0883","","","0.2153","0.2884","","","","","","1.028","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7214560","18.0166","0.0005","18.0166","0.0005","18.6077","0.0005","90","","90","","120","","5230.8","0.2","210","2","210","2","","","","","","","","5","R -3 :H","-R 3","148","","(2-ethoxy-imidazolate-4-amide-5-imidato)-zinc(II) dimethylformamide solvate","","- C8.5 H11.5 N4.5 O3.5 Zn -","- C7 H8 N4 O3 Zn -","- C126 H144 N72 O54 Zn18 -","18","1","","Mondal, Suvendu Sekhar; Dey, Subarna; Baburin, Igor A.; Kelling, Alexandra; Schilde, Uwe; Seifert, Gotthard; Janiak, Christoph; Holdt, Hans-Jürgen","Syntheses of two imidazolate-4-amide-5-imidate linker-based hexagonal metal‒organic frameworks with flexible ethoxy substituent","CrystEngComm","2013","15","45","9394","","10.1039/c3ce41632a","","","0.71073","MoKα","","0.0236","0.0212","","","0.0559","0.0569","","","","","","1.049","","","","has coordinates,has disorder","180476","2020-10-21","18:00:00",""
"7214561","18.6648","0.0014","14.4855","0.0013","20.3605","0.0017","90","","91.374","0.007","90","","5503.3","0.8","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C56 H53 B2 Cu2 F8 N4 O P3 -","- C56 H53 B2 Cu2 F8 N4 O P3 -","- C224 H212 B8 Cu8 F32 N16 O4 P12 -","4","1","","Lin, Yu-Mei; Lei, Zhen; Chang, Shan-Shan; Wang, Quan-Ming","Directed formation of tri-connected Cu(i) coordination polymers","CrystEngComm","2013","15","45","9372","","10.1039/c3ce41101j","","","0.71073","MoKα","","0.1583","0.0591","","","0.0945","0.1114","","","","","","0.799","","","","has coordinates","198636","2020-10-21","18:00:00",""
"7214562","12.6603","0.0006","15.6342","0.0007","17.0355","0.0008","78.234","0.004","68.971","0.004","68.871","0.004","2924.9","0.3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C58 H66 B2 Cu2 F8 N3 O5 P3 -","- C58 H66 B2 Cu2 F8 N3 O5 P3 -","- C116 H132 B4 Cu4 F16 N6 O10 P6 -","2","1","","Lin, Yu-Mei; Lei, Zhen; Chang, Shan-Shan; Wang, Quan-Ming","Directed formation of tri-connected Cu(i) coordination polymers","CrystEngComm","2013","15","45","9372","","10.1039/c3ce41101j","","","0.71073","MoKα","","0.1065","0.0537","","","0.1105","0.12","","","","","","0.945","","","","has coordinates","198636","2020-10-21","18:00:00",""
"7214563","42.216","0.002","17.4513","0.0007","20.096","0.0009","90","","90","","90","","14805.2","1.1","173","2","173","2","","","","","","","","7","C m c a","-C 2ac 2","64","","","","- C66 H56 B2 Cu2 F8 N8 P2 -","- C66 H56 B Cu2 F4 N8 P2 -","- C528 H448 B8 Cu16 F32 N64 P16 -","8","","","Lin, Yu-Mei; Lei, Zhen; Chang, Shan-Shan; Wang, Quan-Ming","Directed formation of tri-connected Cu(i) coordination polymers","CrystEngComm","2013","15","45","9372","","10.1039/c3ce41101j","","","0.71073","MoKα","","0.2079","0.0949","","","0.245","0.2938","","","","","","0.691","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214564","25.4343","0.0005","39.7572","0.0008","17.0847","0.0003","90","","125.4","0.002","90","","14082.1","0.6","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C66 H56 B2 Cu2 F8 N8 P2 -","- C66 H56 B2 Cu2 F8 N8 P2 -","- C528 H448 B16 Cu16 F64 N64 P16 -","8","1","","Lin, Yu-Mei; Lei, Zhen; Chang, Shan-Shan; Wang, Quan-Ming","Directed formation of tri-connected Cu(i) coordination polymers","CrystEngComm","2013","15","45","9372","","10.1039/c3ce41101j","","","1.54178","CuKα","","0.077","0.0661","","","0.2058","0.2197","","","","","","1.01","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214565","18.3877","0.0007","22.2348","0.0008","13.2146","0.0005","90","","93.58","0.003","90","","5392.2","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H43 N7 Ni3 O17 -","- C44 H43 N7 Ni3 O17 -","- C176 H172 N28 Ni12 O68 -","4","0.5","","Hou, Duan-Chuan; Jiang, Gui-Yuan; Fu, Hong-Ru; Zhao, Zhen; Zhang, Jian","A microporous nickel‒organic framework with an unusual 10-connected bct net and high capacity for CO2, H2 and hydrocarbons","CrystEngComm","2013","15","45","9499","","10.1039/c3ce40548f","","","0.71073","MoKα","","0.11","0.0759","","","0.2259","0.239","","","","","","1.424","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214566","10.4873","0.0015","13.908","0.002","17.158","0.003","67.376","0.005","89.533","0.005","81.192","0.005","2279.3","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H49 Cl Cu2 N4 O14 -","- C48 H49 Cl Cu2 N4 O14 -","- C96 H98 Cl2 Cu4 N8 O28 -","2","1","","Jana, Arpita; Weyhermüller, Thomas; Mohanta, Sasankasekhar","Metal complex analogues of crown ethers as the preorganized motif to stabilize aquated proton in solid state","CrystEngComm","2013","15","20","4099","","10.1039/c3ce27075k","","","0.71073","MoKα","","0.0849","0.0444","","","0.0911","0.1098","","","","","","1.009","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214567","10.973","0.002","14.052","0.003","17.507","0.004","111.32","0.002","95.487","0.002","103.616","0.003","2394.6","0.9","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H61 Cl Cu2 N4 O14 -","- C48 H61 Cl Cu2 N4 O14 -","- C96 H122 Cl2 Cu4 N8 O28 -","2","1","","Jana, Arpita; Weyhermüller, Thomas; Mohanta, Sasankasekhar","Metal complex analogues of crown ethers as the preorganized motif to stabilize aquated proton in solid state","CrystEngComm","2013","15","20","4099","","10.1039/c3ce27075k","","","0.71073","MoKα","","0.1031","0.0533","","","0.123","0.1476","","","","","","1.01","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214568","13.8039","0.0007","44.74","0.002","15.9315","0.0007","90","","120.633","0.003","90","","8466","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C80 H98 Cl2 Cu4 N8 O28 -","- C80 H98 Cl2 Cu4 N8 O28 -","- C320 H392 Cl8 Cu16 N32 O112 -","4","1","","Jana, Arpita; Weyhermüller, Thomas; Mohanta, Sasankasekhar","Metal complex analogues of crown ethers as the preorganized motif to stabilize aquated proton in solid state","CrystEngComm","2013","15","20","4099","","10.1039/c3ce27075k","","","0.71073","MoKα","","0.0962","0.0513","","","0.1115","0.1282","","","","","","1.045","","","","has coordinates,has disorder","180476","2020-10-21","18:00:00",""
"7214569","16.063","0.0008","16.485","0.0009","19.025","0.0008","90","","90","","90","","5037.8","0.4","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C42 H24 I2 In4 N6 O27 -","- C42 H18 I2 In4 N6 O27 -","- C168 H72 I8 In16 N24 O108 -","4","0.5","","He, Yuan-Chun; Kan, Wei-Qiu; Guo, Jiao; Yang, Yan; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","Iodine-templated assembly of an In(iii) complex with a single-crystal-to-single-crystal transition","CrystEngComm","2013","15","37","7406","","10.1039/c3ce41337c","","","0.71069","MoKα","","0.0863","0.069","","","0.1732","0.1868","","","","","","1.082","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214570","7.9561","0.0001","7.9561","0.0001","8.2785","0.0003","90","","90","","90","","524.03","0.02","296","0.2","296","0.2","","","","","","","","5","P 42/m n m","-P 4n 2n","136","","diammonium tetrabromocuprate dihydrate","","- Br4 Cu H12 N2 O2 -","- Br4 Cu H12 N2 O2 -","- Br8 Cu2 H24 N4 O4 -","2","0.125","","Małuszyńska, Hanna; Tylczyński, Zbigniew; Cousson, Alain","Ferroelastoelectric ordering in (NH4)2CuBr4·2H2O single crystal","CrystEngComm","2013","15","37","7498","","10.1039/c3ce41113c","","","0.71073","MoKα","","0.0739","0.0286","","","0.0535","0.059","","","","","","0.821","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214571","7.9005","0.0011","7.9005","0.0011","8.1982","0.0016","90","","90","","90","","511.71","0.14","120","0.2","120","0.2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","diammonium tetrabromocuprate dihydrate","","- Br4 Cu H12 N2 O2 -","- Br4 Cu H12 N2 O2 -","- Br8 Cu2 H24 N4 O4 -","2","0.25","","Małuszyńska, Hanna; Tylczyński, Zbigniew; Cousson, Alain","Ferroelastoelectric ordering in (NH4)2CuBr4·2H2O single crystal","CrystEngComm","2013","15","37","7498","","10.1039/c3ce41113c","","","0.71073","MoKα","","0.0322","0.0175","","","0.0469","0.0483","","","","","","1.02","","","","has coordinates","189056","2020-10-21","18:00:00",""
"7214572","7.994","0.0011","7.994","0.0011","8.275","0.0017","90","","90","","90","","528.81","0.15","293","2","293","2","","","","","","","","5","P 42/m n m","-P 4n 2n","136","","diammonium tetrabromocuprate dihydrate","","- Br4 Cu H12 N2 O2 -","- Br4 Cu H12 N2 O2 -","- Br8 Cu2 H24 N4 O4 -","2","0.125","","Małuszyńska, Hanna; Tylczyński, Zbigniew; Cousson, Alain","Ferroelastoelectric ordering in (NH4)2CuBr4·2H2O single crystal","CrystEngComm","2013","15","37","7498","","10.1039/c3ce41113c","","","0.8292","neutron","","0.0656","0.0337","","","0.076","0.0865","","","","","","1.001","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214573","7.869","0.0011","7.869","0.0011","8.248","0.0016","90","","90","","90","","510.73","0.14","20","2","20","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","diammonium tetrabromocuprate dihydrate","","- Br4 Cu H12 N2 O2 -","- Br4 Cu H12 N2 O2 -","- Br8 Cu2 H24 N4 O4 -","2","0.25","","Małuszyńska, Hanna; Tylczyński, Zbigniew; Cousson, Alain","Ferroelastoelectric ordering in (NH4)2CuBr4·2H2O single crystal","CrystEngComm","2013","15","37","7498","","10.1039/c3ce41113c","","","0.832","neutron","","0.0554","0.0416","","","0.0857","0.0935","","","","","","1.07","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7214574","11.2134","0.0006","7.7976","0.0004","16.128","0.0007","90","","103.26","0.005","90","","1372.6","0.12","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Sulfacetamide-acetamide","Sulfacetamide-acetamide 1:1","","- C10 H15 N3 O4 S -","- C10 H15 N3 O4 S -","- C40 H60 N12 O16 S4 -","4","1","","Goud, N. Rajesh; Nangia, Ashwini","Synthon polymorphs of sulfacetamide‒acetamide cocrystal based on N‒H⋯OS and N‒H⋯OC hydrogen bonding","CrystEngComm","2013","15","37","7456","","10.1039/c3ce41179f","","","0.71073","MoKα","","0.0806","0.0511","","","0.1111","0.1287","","","","","","1.017","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214575","22.2392","0.0016","8.4705","0.0004","14.771","0.0011","90","","107.056","0.008","90","","2660.1","0.3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Sulfacetamide-acetamide","Sulfacetamide-acetamide 1:1","","- C10 H15 N3 O4 S -","- C10 H15 N3 O4 S -","- C80 H120 N24 O32 S8 -","8","1","","Goud, N. Rajesh; Nangia, Ashwini","Synthon polymorphs of sulfacetamide‒acetamide cocrystal based on N‒H⋯OS and N‒H⋯OC hydrogen bonding","CrystEngComm","2013","15","37","7456","","10.1039/c3ce41179f","","","0.71073","MoKα","","0.0633","0.0462","","","0.1079","0.1203","","","","","","1.048","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214576","18.928","0.005","14.293","0.005","15.24","0.005","90","","108.95","0.005","90","","3900","2","100","2","100","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C56 H80 Cl10 Co4 N16 O6 P2 -","- C56 H80 Cl10 Co4 N16 O6 P2 -","- C112 H160 Cl20 Co8 N32 O12 P4 -","2","0.25","","Chandrasekhar, Vadapalli; Sahoo, Dipankar; Metre, Ramesh K.","Isomorphic Co(ii) and Zn(ii) phosphonates: co-crystal formation of [{M2(η1-DMPzH)4(Cl3CPO3)2}{M(η1-DMPzH)2Cl2}2](toluene)2 (M = Co(ii) and Zn(ii))","CrystEngComm","2013","15","37","7419","","10.1039/c3ce40997j","","","0.71069","MoKα","","0.0637","0.0487","","","0.1174","0.1295","","","","","","1.021","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214577","18.985","0.005","14.238","0.005","15.264","0.005","90","","109.48","0.005","90","","3890","2","100","2","100","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C56 H80 Cl10 N16 O6 P2 Zn4 -","- C56 H80 Cl10 N16 O6 P2 Zn4 -","- C112 H160 Cl20 N32 O12 P4 Zn8 -","2","0.25","","Chandrasekhar, Vadapalli; Sahoo, Dipankar; Metre, Ramesh K.","Isomorphic Co(ii) and Zn(ii) phosphonates: co-crystal formation of [{M2(η1-DMPzH)4(Cl3CPO3)2}{M(η1-DMPzH)2Cl2}2](toluene)2 (M = Co(ii) and Zn(ii))","CrystEngComm","2013","15","37","7419","","10.1039/c3ce40997j","","","0.71073","MoKα","","0.0269","0.0248","","","0.0622","0.0634","","","","","","1.092","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214578","12.271","0.005","13.575","0.005","14.049","0.005","87.852","0.005","70.724","0.005","71.366","0.005","2087.2","1.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H48 Cl8 Co2 N6 O6 P2 -","- C24 H48 Cl8 Co2 N6 O6 P2 -","- C48 H96 Cl16 Co4 N12 O12 P4 -","2","1","","Chandrasekhar, Vadapalli; Sahoo, Dipankar; Metre, Ramesh K.","Isomorphic Co(ii) and Zn(ii) phosphonates: co-crystal formation of [{M2(η1-DMPzH)4(Cl3CPO3)2}{M(η1-DMPzH)2Cl2}2](toluene)2 (M = Co(ii) and Zn(ii))","CrystEngComm","2013","15","37","7419","","10.1039/c3ce40997j","","","0.71069","MoKα","","0.0503","0.0421","","","0.0965","0.0999","","","","","","1.068","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214579","12.267","0.005","13.569","0.005","14.029","0.005","87.78","0.005","70.635","0.005","71.328","0.005","2081.1","1.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H48 Cl8 N6 O6 P2 Zn2 -","- C24 H48 Cl8 N6 O6 P2 Zn2 -","- C48 H96 Cl16 N12 O12 P4 Zn4 -","2","1","","Chandrasekhar, Vadapalli; Sahoo, Dipankar; Metre, Ramesh K.","Isomorphic Co(ii) and Zn(ii) phosphonates: co-crystal formation of [{M2(η1-DMPzH)4(Cl3CPO3)2}{M(η1-DMPzH)2Cl2}2](toluene)2 (M = Co(ii) and Zn(ii))","CrystEngComm","2013","15","37","7419","","10.1039/c3ce40997j","","","0.71069","MoKα","","0.0325","0.0262","","","0.062","0.0646","","","","","","1.058","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214580","8.5377","0.0011","13.1086","0.0017","14.4617","0.0018","90","","90","","90","","1618.5","0.4","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C10 H16 Cl2 N2 Ni O2 S2 Se -","- C10 H16 Cl2 N2 Ni O2 S2 Se -","- C40 H64 Cl8 N8 Ni4 O8 S8 Se4 -","4","1","","Lee, Lucia Myongwon; Elder, Philip J. W.; Dube, Paul A.; Greedan, John E.; Jenkins, Hilary A.; Britten, James F.; Vargas-Baca, Ignacio","The size of the metal ion controls the structures of the coordination polymers of benzo-2,1,3-selenadiazole","CrystEngComm","2013","15","37","7434","","10.1039/c3ce40752g","","","0.71073","MoKα","","0.0372","0.029","","","0.0496","0.0524","","","","","","0.901","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214581","8.5078","0.0008","13.3811","0.0012","14.3894","0.0013","90","","90","","90","","1638.1","0.3","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C10 H16 Cl2 Co N2 O2 S2 Se -","- C10 H16 Cl2 Co N2 O2 S2 Se -","- C40 H64 Cl8 Co4 N8 O8 S8 Se4 -","4","1","","Lee, Lucia Myongwon; Elder, Philip J. W.; Dube, Paul A.; Greedan, John E.; Jenkins, Hilary A.; Britten, James F.; Vargas-Baca, Ignacio","The size of the metal ion controls the structures of the coordination polymers of benzo-2,1,3-selenadiazole","CrystEngComm","2013","15","37","7434","","10.1039/c3ce40752g","","","0.71073","MoKα","","0.0264","0.0206","","","0.0369","0.038","","","","","","0.985","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214582","8.481","0.0006","13.4884","0.0009","14.3386","0.0011","90","","90","","90","","1640.3","0.2","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C10 H16 Cl2 Fe N2 O2 S2 Se -","- C10 H16 Cl2 Fe N2 O2 S2 Se -","- C40 H64 Cl8 Fe4 N8 O8 S8 Se4 -","4","1","","Lee, Lucia Myongwon; Elder, Philip J. W.; Dube, Paul A.; Greedan, John E.; Jenkins, Hilary A.; Britten, James F.; Vargas-Baca, Ignacio","The size of the metal ion controls the structures of the coordination polymers of benzo-2,1,3-selenadiazole","CrystEngComm","2013","15","37","7434","","10.1039/c3ce40752g","","","0.71073","MoKα","","0.0431","0.0366","","","0.0732","0.0761","","","","","","1.033","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214583","3.7767","0.0017","9.284","0.004","10.824","0.005","78.814","0.007","82.416","0.008","82.514","0.007","366.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H4 Cd0.5 Cl N2 Se -","- C6 H4 Cd0.5 Cl N2 Se -","- C12 H8 Cd Cl2 N4 Se2 -","2","1","","Lee, Lucia Myongwon; Elder, Philip J. W.; Dube, Paul A.; Greedan, John E.; Jenkins, Hilary A.; Britten, James F.; Vargas-Baca, Ignacio","The size of the metal ion controls the structures of the coordination polymers of benzo-2,1,3-selenadiazole","CrystEngComm","2013","15","37","7434","","10.1039/c3ce40752g","","","0.71073","MoKα","","0.1061","0.06","","","0.1273","0.1481","","","","","","0.973","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214584","3.7203","0.001","9.278","0.002","10.769","0.003","80.055","0.004","81.254","0.004","83.353","0.004","360.34","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H8 Cl2 Mn N4 Se2 -","- C12 H8 Cl2 Mn N4 Se2 -","- C12 H8 Cl2 Mn N4 Se2 -","1","0.5","","Lee, Lucia Myongwon; Elder, Philip J. W.; Dube, Paul A.; Greedan, John E.; Jenkins, Hilary A.; Britten, James F.; Vargas-Baca, Ignacio","The size of the metal ion controls the structures of the coordination polymers of benzo-2,1,3-selenadiazole","CrystEngComm","2013","15","37","7434","","10.1039/c3ce40752g","","","0.71073","MoKα","","0.0311","0.0254","","","0.0595","0.0618","","","","","","1.086","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7214585","24.46","0.004","9.9842","0.0014","23.479","0.003","90","","110.705","0.003","90","","5363.6","1.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C65 H42 Mn2 N8 O11 -","- C65 H42 Mn2 N8 O11 -","- C260 H168 Mn8 N32 O44 -","4","0.5","","Yang, Li-Rong; Zhang, Huai-Min; You, Qian-qian; Wu, Lan-Zhi; Liu, Liu; Song, Shuang","Coordination polymers based on 3,3′,4,4′-benzophenone-tetracarboxylate and N-containing pillars: syntheses, structure, characterization and properties","CrystEngComm","2013","15","37","7505","","10.1039/c3ce40456k","","","0.71073","MoKα","","0.0602","0.0441","","","0.1279","0.1355","","","","","","1.073","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214586","11.0612","0.0016","15.0262","0.0017","16.7833","0.0016","90","","95.491","0.001","90","","2776.7","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H15 N2 O10 Zn2 -","- C27 H15 N2 O10 Zn2 -","- C108 H60 N8 O40 Zn8 -","4","1","","Yang, Li-Rong; Zhang, Huai-Min; You, Qian-qian; Wu, Lan-Zhi; Liu, Liu; Song, Shuang","Coordination polymers based on 3,3′,4,4′-benzophenone-tetracarboxylate and N-containing pillars: syntheses, structure, characterization and properties","CrystEngComm","2013","15","37","7505","","10.1039/c3ce40456k","","","0.71073","MoKα","","0.0397","0.0317","","","0.0816","0.0846","","","","","","1.039","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214587","11.0632","0.0006","15.0159","0.0008","16.7772","0.0009","90","","95.394","0.001","90","","2774.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H20 N3 O10 Zn2 -","- C32 H20 N3 O10 Zn2 -","- C128 H80 N12 O40 Zn8 -","4","1","","Yang, Li-Rong; Zhang, Huai-Min; You, Qian-qian; Wu, Lan-Zhi; Liu, Liu; Song, Shuang","Coordination polymers based on 3,3′,4,4′-benzophenone-tetracarboxylate and N-containing pillars: syntheses, structure, characterization and properties","CrystEngComm","2013","15","37","7505","","10.1039/c3ce40456k","","","0.71073","MoKα","","0.0378","0.0312","","","0.0862","0.0887","","","","","","1.078","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214588","8.373","0.0001","9.072","0.0002","12.65","0.0003","95.47","0.001","96.202","0.001","110.315","0.001","886.71","0.03","113","2","113","2","","","","","","","","3","P -1","-P 1","2","","","","- C23.5 H20 O3 -","- C23.5 H20 O3 -","- C47 H40 O6 -","2","1","","Nassimbeni, Luigi R.; Su, Hong","How to monitor guest exchange in host‒guest systems","CrystEngComm","2013","15","37","7396","","10.1039/c3ce40675j","","","0.71073","MoKα","","0.0422","0.036","","","0.0934","0.0967","","","","","","1.07","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7214589","8.3498","0.0002","9.0863","0.0002","12.6308","0.0003","95.767","0.001","96.368","0.001","110.027","0.002","884.89","0.04","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H18.5 Cl0.5 O3 -","- C23 H18.5 Cl0.5 O3 -","- C46 H37 Cl O6 -","2","1","","Nassimbeni, Luigi R.; Su, Hong","How to monitor guest exchange in host‒guest systems","CrystEngComm","2013","15","37","7396","","10.1039/c3ce40675j","","","0.71073","MoKα","","0.0501","0.0378","","","0.0893","0.0957","","","","","","1.049","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7214590","8.367","0.0003","9.1032","0.0003","12.6727","0.0005","95.847","0.001","96.491","0.001","110.005","0.002","890.91","0.06","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H18.5 Cl0.5 O3 -","- C23 H16 Cl0.5 O3 -","- C46 H32 Cl O6 -","2","1","","Nassimbeni, Luigi R.; Su, Hong","How to monitor guest exchange in host‒guest systems","CrystEngComm","2013","15","37","7396","","10.1039/c3ce40675j","","","0.71073","MoKα","","0.0961","0.0456","","","0.1035","0.1211","","","","","","1.007","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214591","8.3704","0.0003","9.0991","0.0004","12.6749","0.0006","95.811","0.001","96.459","0.001","110.021","0.003","891.11","0.07","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C23.09 H18.78 Cl0.41 O3 -","- C23.1 H16 Cl0.4 O3 -","- C46.2 H32 Cl0.8 O6 -","2","1","","Nassimbeni, Luigi R.; Su, Hong","How to monitor guest exchange in host‒guest systems","CrystEngComm","2013","15","37","7396","","10.1039/c3ce40675j","","","0.71073","MoKα","","0.1128","0.0504","","","0.1124","0.1328","","","","","","1.024","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214592","8.3923","0.0003","9.0879","0.0004","12.7002","0.0007","95.557","0.002","96.234","0.002","110.261","0.003","893.88","0.07","113","2","113","2","","","","","","","","3","P -1","-P 1","2","","","","- C23.5 H20 O3 -","- C23.5 H16 O3 -","- C47 H32 O6 -","2","1","","Nassimbeni, Luigi R.; Su, Hong","How to monitor guest exchange in host‒guest systems","CrystEngComm","2013","15","37","7396","","10.1039/c3ce40675j","","","0.71073","MoKα","","0.1452","0.0495","","","0.0951","0.1184","","","","","","0.918","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214593","10.825","0.003","28.608","0.002","24.372","0.0012","90","","93.639","0.005","90","","7532","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H83 Co6 N7 O33 -","- C40 H26 Co6 O26 -","- C160 H104 Co24 O104 -","4","1","","Wang, Hai-Ning; Liu, Fu-Hong; Zhu, Yan-Fei; Wang, Xin-Long; Chen, Zhi-Hui; Su, Zhong-Min","Synthesis and property investigation of two hexa-cobalt cluster based porous coordination polymers","CrystEngComm","2013","15","37","7402","","10.1039/c3ce41044g","","","0.71069","MoKα","","0.1382","0.1243","","","0.3321","0.3492","","","","","","1.142","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214594","10.806","0.003","28.554","0.0014","24.329","0.0015","90","","93.658","0.005","90","","7492","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H83 Co6 N7 O33 -","- C40 H20 Co6 O26 -","- C160 H80 Co24 O104 -","4","1","","Wang, Hai-Ning; Liu, Fu-Hong; Zhu, Yan-Fei; Wang, Xin-Long; Chen, Zhi-Hui; Su, Zhong-Min","Synthesis and property investigation of two hexa-cobalt cluster based porous coordination polymers","CrystEngComm","2013","15","37","7402","","10.1039/c3ce41044g","","","0.71069","MoKα","","0.1497","0.1299","","","0.3308","0.3457","","","","","","1.289","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214595","28.764","0.004","21.682","0.003","10.933","0.0014","90","","90","","90","","6818.5","1.6","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C29 H34 Co3 N3 O15 -","- C23 H20 Co3 N O13 -","- C184 H160 Co24 N8 O104 -","8","1","","Wang, Hai-Ning; Liu, Fu-Hong; Zhu, Yan-Fei; Wang, Xin-Long; Chen, Zhi-Hui; Su, Zhong-Min","Synthesis and property investigation of two hexa-cobalt cluster based porous coordination polymers","CrystEngComm","2013","15","37","7402","","10.1039/c3ce41044g","","","0.71069","MoKα","","0.0794","0.047","","","0.0995","0.1081","","","","","","1.036","","","","has coordinates,has disorder","180476","2020-10-21","18:00:00",""
"7214596","6.47","0.0006","10.5728","0.0009","11.0821","0.0009","76.8","0.007","84.592","0.007","73.686","0.008","707.97","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H28 N2 Ni S4 -","- C30 H28 N2 Ni S4 -","- C30 H28 N2 Ni S4 -","1","0.5","","Singh, Santosh K.; Drew, Michael G. B.; Singh, Nanhai","Self assembly of homoleptic Ni(ii) dithiocarbamates and dithiocarbimates via Ni⋯H‒C anagostic and C‒H⋯π (chelate) interactions","CrystEngComm","2013","15","47","10255","","10.1039/c3ce41358f","","","0.71073","MoKα","","0.1087","0.063","","","0.1369","0.1504","","","","","","0.996","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214597","6.545","0.002","10.393","0.004","11.114","0.005","75.24","0.04","74.79","0.03","78.01","0.03","697.4","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H34 N4 Ni S4 -","- C24 H34 N4 Ni S4 -","- C24 H34 N4 Ni S4 -","1","0.5","","Singh, Santosh K.; Drew, Michael G. B.; Singh, Nanhai","Self assembly of homoleptic Ni(ii) dithiocarbamates and dithiocarbimates via Ni⋯H‒C anagostic and C‒H⋯π (chelate) interactions","CrystEngComm","2013","15","47","10255","","10.1039/c3ce41358f","","","0.71073","MoKα","","0.227","0.1048","","","0.2105","0.277","","","","","","0.917","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214598","14.0619","0.0007","14.3634","0.0006","19.3287","0.001","90","","91.009","0.005","90","","3903.3","0.3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H48 Cl2 N4 Ni O4 S6 -","- C30 H48 Cl2 N4 Ni O4 S6 -","- C120 H192 Cl8 N16 Ni4 O16 S24 -","4","1","","Singh, Santosh K.; Drew, Michael G. B.; Singh, Nanhai","Self assembly of homoleptic Ni(ii) dithiocarbamates and dithiocarbimates via Ni⋯H‒C anagostic and C‒H⋯π (chelate) interactions","CrystEngComm","2013","15","47","10255","","10.1039/c3ce41358f","","","0.71073","MoKα","","0.1384","0.0698","","","0.1499","0.1895","","","","","","0.916","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214599","7.9767","0.0008","19.507","0.002","15.317","0.002","90","","91.905","0.009","90","","2382","0.5","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H64 Cl2 N4 Ni O4 S6 -","- C38 H64 Cl2 N4 Ni O4 S6 -","- C76 H128 Cl4 N8 Ni2 O8 S12 -","2","0.5","","Singh, Santosh K.; Drew, Michael G. B.; Singh, Nanhai","Self assembly of homoleptic Ni(ii) dithiocarbamates and dithiocarbimates via Ni⋯H‒C anagostic and C‒H⋯π (chelate) interactions","CrystEngComm","2013","15","47","10255","","10.1039/c3ce41358f","","","0.71073","MoKα","","0.1596","0.0735","","","0.1116","0.1452","","","","","","0.959","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214600","15.7634","0.0014","9.4746","0.0009","24.016","0.004","90","","97.142","0.009","90","","3559","0.8","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C62 H112 Cl2 N4 Ni O4 S6 -","- C62 H112 Cl2 N4 Ni O4 S6 -","- C124 H224 Cl4 N8 Ni2 O8 S12 -","2","0.5","","Singh, Santosh K.; Drew, Michael G. B.; Singh, Nanhai","Self assembly of homoleptic Ni(ii) dithiocarbamates and dithiocarbimates via Ni⋯H‒C anagostic and C‒H⋯π (chelate) interactions","CrystEngComm","2013","15","47","10255","","10.1039/c3ce41358f","","","0.71073","MoKα","","0.1854","0.0828","","","0.154","0.1999","","","","","","0.898","","","","has coordinates,has disorder","180477","2020-10-21","18:00:00",""
"7214601","7.117","0.007","10.007","0.008","16.788","0.016","73.45","0.04","85.81","0.04","74.91","0.04","1106.6","1.8","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H12 N2 O -","- C14 H12 N2 O -","- C56 H48 N8 O4 -","4","2","","Shida, Toshihide; Mutai, Toshiki; Araki, Koji","Sterically induced polymorphism: ON‒OFF control of excited-state intramolecular proton transfer (ESIPT) luminescence of 1-methyl-2-(2′-hydroxyphenyl)benzimidazole","CrystEngComm","2013","15","47","10179","","10.1039/c3ce41742e","","","0.71075","MoKα","","0.138","0.1009","","","0.273","0.2949","","","","","","1.08","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214602","7.516","0.001","15.318","0.001","11.199","0.001","90","","114.615","0.002","90","","1172.2","0.2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N2 O -","- C14 H12 N2 O -","- C56 H48 N8 O4 -","4","1","","Shida, Toshihide; Mutai, Toshiki; Araki, Koji","Sterically induced polymorphism: ON‒OFF control of excited-state intramolecular proton transfer (ESIPT) luminescence of 1-methyl-2-(2′-hydroxyphenyl)benzimidazole","CrystEngComm","2013","15","47","10179","","10.1039/c3ce41742e","","","1.54184","CuKα","","0.0661","0.0607","","","0.152","0.1581","","","","","","1.093","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214603","21.216","0.001","21.216","","17.221","0.001","90","","90","","120","","6713","0.5","298","2","298","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C17 H18 N2 O -","- C17 H18 N2 O -","- C306 H324 N36 O18 -","18","1","","Shida, Toshihide; Mutai, Toshiki; Araki, Koji","Sterically induced polymorphism: ON‒OFF control of excited-state intramolecular proton transfer (ESIPT) luminescence of 1-methyl-2-(2′-hydroxyphenyl)benzimidazole","CrystEngComm","2013","15","47","10179","","10.1039/c3ce41742e","","","1.54184","CuKα","","0.0687","0.0624","","","0.1459","0.1504","","","","","","1.106","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214604","14.9927","0.0004","24.6112","0.0005","30.667","0.0006","90","","90","","90","","11315.8","0.4","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","[[{Mn(C6N4H18)(C6N4H20)}{Mn(C6N4H18)}4V15Ge6O48(0.5H2O)]*(C6N4H18)*2H2O","","","- C36 H115 Ge6 Mn5 N24 O50.5 V15 -","- C36 H110 Ge6 Mn5 N24 O50.5 V15 -","- C144 H440 Ge24 Mn20 N96 O202 V60 -","4","1","","Wang, Jing; Näther, Christian; Speldrich, Manfred; Kögerler, Paul; Bensch, Wolfgang","Chain and layer networks of germanato-polyoxovanadates","CrystEngComm","2013","15","47","10238","","10.1039/c3ce41512k","","","0.71073","MoKα","","0.0794","0.0667","","","0.1427","0.1493","","","","","","1.092","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214605","26.9906","0.0004","14.7778","0.0003","24.9887","0.0004","90","","91.573","0.001","90","","9963.3","0.3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H118 Ge6 N24 Ni4 O51 V15 -","- C36 H104 Ge6 N24 Ni4 O51 V15 -","- C144 H416 Ge24 N96 Ni16 O204 V60 -","4","0.5","","Wang, Jing; Näther, Christian; Speldrich, Manfred; Kögerler, Paul; Bensch, Wolfgang","Chain and layer networks of germanato-polyoxovanadates","CrystEngComm","2013","15","47","10238","","10.1039/c3ce41512k","","","0.71073","MoKα","","0.0619","0.0566","","","0.1387","0.1425","","","","","","1.115","","","","has coordinates,has disorder","180477","2020-10-21","18:00:00",""
"7214606","12.418","0.003","16.869","0.003","20.201","0.004","101.395","0.004","101.351","0.004","96.407","0.004","4017","1.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C138 H160 Cl10 N32 O20 Pd5 -","- C138 H160 Cl10 N32 O20 Pd5 -","- C138 H160 Cl10 N32 O20 Pd5 -","1","0.5","","Ma, Chunhua; Wang, Jintao; Zhao, Lin; Shi, Yueqin; Luo, Wenping; Yan, Yawkai; Fang, Min; Wang, Xiujian; Liu, Hong-Ke","(M3L4 + M2L4): a unique example of a co-crystal containing M3L4 and M2L4 metallocages","CrystEngComm","2013","15","47","10311","","10.1039/c3ce40928g","","","0.71073","MoKα","","0.155","0.0724","","","0.1932","0.249","","","","","","0.935","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214607","12.5497","0.0012","21.783","0.002","17.7472","0.0016","90","","97.507","0.002","90","","4810","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C192 H Mn12 N8 O88 -","- C192 H168 Mn12 N8 O88 -","- C192 H168 Mn12 N8 O88 -","1","0.25","","Huang, Wen-Huan; Luan, Xin-Jun; Zhou, Xiang; Chen, Jun; Wang, Yao-Yu; Shi, Qi-Zhen","The influence of ligand configuration, solvent size and solvent polarity on the porous shape and void volume in a series of isomeric or isomorphic porous MOFs","CrystEngComm","2013","15","47","10389","","10.1039/c3ce41801d","","","0.71073","MoKα","","0.2123","0.0692","","","0.1491","0.2293","","","","","","1.002","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214608","5.8403","0.0007","13.6345","0.0015","13.9084","0.0016","109.15","0.002","98.89","0.002","99.218","0.002","1006.9","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H34 Mn O20 -","- C42 H34 Mn O20 -","- C42 H34 Mn O20 -","1","0.5","","Huang, Wen-Huan; Luan, Xin-Jun; Zhou, Xiang; Chen, Jun; Wang, Yao-Yu; Shi, Qi-Zhen","The influence of ligand configuration, solvent size and solvent polarity on the porous shape and void volume in a series of isomeric or isomorphic porous MOFs","CrystEngComm","2013","15","47","10389","","10.1039/c3ce41801d","","","0.71073","MoKα","","0.0899","0.048","","","0.1173","0.171","","","","","","1.002","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214609","16.579","","9.446","","27.37","","90","","102.71","","90","","4181.25","","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C84 H76 Mn6 O48 -","- C84 H76 Mn6 O46 -","- C168 H152 Mn12 O92 -","2","0.25","","Huang, Wen-Huan; Luan, Xin-Jun; Zhou, Xiang; Chen, Jun; Wang, Yao-Yu; Shi, Qi-Zhen","The influence of ligand configuration, solvent size and solvent polarity on the porous shape and void volume in a series of isomeric or isomorphic porous MOFs","CrystEngComm","2013","15","47","10389","","10.1039/c3ce41801d","","","0.71073","MoKα","","0.0718","0.05","","","0.1356","0.1571","","","","","","1.001","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214610","13.134","0.003","13.102","0.003","25.336","0.005","90","","93.935","0.004","90","","4349.6","1.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C43 H28 Mn2.5 O18 -","- C43 H28 Mn2.5 O18 -","- C172 H112 Mn10 O72 -","4","1","","Huang, Wen-Huan; Luan, Xin-Jun; Zhou, Xiang; Chen, Jun; Wang, Yao-Yu; Shi, Qi-Zhen","The influence of ligand configuration, solvent size and solvent polarity on the porous shape and void volume in a series of isomeric or isomorphic porous MOFs","CrystEngComm","2013","15","47","10389","","10.1039/c3ce41801d","","","0.71073","MoKα","","0.0708","0.0708","","","0.2185","0.2185","","","","","","1.021","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214611","17.438","","11.119","","18.114","","90","","115.64","","90","","3166.34","","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H31 Mn1.5 N2 O13 -","- C29 H31 Mn1.5 N2 O13 -","- C116 H124 Mn6 N8 O52 -","4","1","","Huang, Wen-Huan; Luan, Xin-Jun; Zhou, Xiang; Chen, Jun; Wang, Yao-Yu; Shi, Qi-Zhen","The influence of ligand configuration, solvent size and solvent polarity on the porous shape and void volume in a series of isomeric or isomorphic porous MOFs","CrystEngComm","2013","15","47","10389","","10.1039/c3ce41801d","","","0.71073","MoKα","","0.0756","0.0635","","","0.2192","0.2399","","","","","","1.008","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214612","27.565","0.003","21.395","0.003","9.3865","0.001","90","","106.317","0.003","90","","5312.8","1.1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C192 H Mn12 N8 O80 -","- C192 H160 Mn12 N8 O80 -","- C192 H160 Mn12 N8 O80 -","1","0.125","","Huang, Wen-Huan; Luan, Xin-Jun; Zhou, Xiang; Chen, Jun; Wang, Yao-Yu; Shi, Qi-Zhen","The influence of ligand configuration, solvent size and solvent polarity on the porous shape and void volume in a series of isomeric or isomorphic porous MOFs","CrystEngComm","2013","15","47","10389","","10.1039/c3ce41801d","","","0.71073","MoKα","","0.1251","0.0583","","","0.1325","0.1462","","","","","","0.998","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214613","27.579","","21.701","","9.515","","90","","106.34","","90","","5464.64","","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H44 Mn3 N2 O20 -","- C50 H44 Mn3 N2 O20 -","- C200 H176 Mn12 N8 O80 -","4","0.5","","Huang, Wen-Huan; Luan, Xin-Jun; Zhou, Xiang; Chen, Jun; Wang, Yao-Yu; Shi, Qi-Zhen","The influence of ligand configuration, solvent size and solvent polarity on the porous shape and void volume in a series of isomeric or isomorphic porous MOFs","CrystEngComm","2013","15","47","10389","","10.1039/c3ce41801d","","","0.71073","MoKα","","0.1665","0.0842","","","0.241","0.2986","","","","","","1.003","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214614","27.752","0.004","21.889","0.003","9.5237","0.0013","90","","107.685","0.003","90","","5511.9","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C208 H Mn12 N8 O80 -","- C208 H176 Mn12 N8 O80 -","- C208 H176 Mn12 N8 O80 -","1","0.125","","Huang, Wen-Huan; Luan, Xin-Jun; Zhou, Xiang; Chen, Jun; Wang, Yao-Yu; Shi, Qi-Zhen","The influence of ligand configuration, solvent size and solvent polarity on the porous shape and void volume in a series of isomeric or isomorphic porous MOFs","CrystEngComm","2013","15","47","10389","","10.1039/c3ce41801d","","","0.71073","MoKα","","0.1209","0.0616","","","0.134","0.1484","","","","","","1.002","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214615","21.701","0.004","23.071","0.005","23.286","0.005","63.91","0.03","68.86","0.03","64.94","0.03","9264","4","258","2","258","2","","","","","","","","5","P 1","P 1","1","","","","- C296 H374 N16 O95 Zn16 -","- C296 H366 N16 O95 Zn16 -","- C296 H366 N16 O95 Zn16 -","1","1","","Li, Qiaowei; Shin, Sung Min; Moon, Dohyun; Jeong, Kyung Seok; Jeong, Nakcheol","Chiral porous metal‒organic frameworks from chiral building units with different metrics","CrystEngComm","2013","15","47","10161","","10.1039/c3ce41586d","","","1.54178","CuKα","","0.0598","0.0542","","","0.1388","0.1439","","","","","","1","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214616","22.945","0.005","31.803","0.006","32.955","0.007","90","","90","","90","","24048","9","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C200 H188 N4 O42 Zn8 -","- C200 H188 N4 O42 Zn8 -","- C800 H752 N16 O168 Zn32 -","4","1","","Li, Qiaowei; Shin, Sung Min; Moon, Dohyun; Jeong, Kyung Seok; Jeong, Nakcheol","Chiral porous metal‒organic frameworks from chiral building units with different metrics","CrystEngComm","2013","15","47","10161","","10.1039/c3ce41586d","","","0.9","synchrotron","","0.1115","0.0788","","","0.1906","0.2107","","","","","","0.993","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214617","5.159","0.003","18.175","0.006","12.684","0.004","90","","93.77","0.03","90","","1186.7","0.9","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","R-N'-3-methylcyclopentylidene-4-hydroxy benzohydrazide","<i>R</i>-N'-3-methylcyclopentylidene-4-hydroxy benzohydrazide","","- C13 H16 N2 O2 -","- C13 H16 N2 O2 -","- C52 H64 N8 O8 -","4","2","","Centore, Roberto; Fusco, Sandra; Jazbinsek, Mojca; Capobianco, Amedeo; Peluso, Andrea","Polar crystals in imines of 4-hydroxybenzohydrazide: a comparison between racemic and enantiomorphic crystals","CrystEngComm","2013","15","17","3318","","10.1039/c3ce00005b","","x-ray","0.71073","MoKα","","0.1255","0.0695","","","0.1523","0.1791","","","","","","1.033","","","","has coordinates,has disorder","180477","2020-10-21","18:00:00",""
"7214618","9.586","0.003","10.369","0.005","12.306","0.008","90","","90","","90","","1223.2","1.1","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","rac-N'-3-methylcyclopentylidene-4-hydroxy benzohydrazide","rac-N'-3-methylcyclopentylidene-4-hydroxy benzohydrazide","","- C13 H16 N2 O2 -","- C13 H16 N2 O2 -","- C52 H64 N8 O8 -","4","1","","Centore, Roberto; Fusco, Sandra; Jazbinsek, Mojca; Capobianco, Amedeo; Peluso, Andrea","Polar crystals in imines of 4-hydroxybenzohydrazide: a comparison between racemic and enantiomorphic crystals","CrystEngComm","2013","15","17","3318","","10.1039/c3ce00005b","","x-ray","0.71073","MoKα","","0.1442","0.0701","","","0.1347","0.1613","","","","","","1.044","","","","has coordinates,has disorder","180477","2020-10-21","18:00:00",""
"7214619","5.19","0.003","18.133","0.006","12.562","0.004","90","","93.79","0.03","90","","1179.6","0.9","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","rac-N'-3-methylcyclopentylidene-4-hydroxybenzohydrazide","rac-N'-3-methylcyclopentylidene-4- hydroxybenzohydrazide","","- C13 H16 N2 O2 -","- C13 H16 N2 O2 -","- C52 H64 N8 O8 -","4","1","","Centore, Roberto; Fusco, Sandra; Jazbinsek, Mojca; Capobianco, Amedeo; Peluso, Andrea","Polar crystals in imines of 4-hydroxybenzohydrazide: a comparison between racemic and enantiomorphic crystals","CrystEngComm","2013","15","17","3318","","10.1039/c3ce00005b","","x-ray","0.71073","MoKα","","0.1463","0.077","","","0.1366","0.1604","","","","","","1.107","","","","has coordinates,has disorder","180477","2020-10-21","18:00:00",""
"7214620","11.144","0.0002","11.45","0.0002","14.8721","0.0003","90","","92.6884","0.0011","90","","1895.57","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","2-((2,6-dimethylphenyl)amino)-N,N-dimethyl-2-oxoethanaminium 2,4,6-trioxohexahydropyrimidin-5-ide","2-[(2,6-dimethylphenyl)amino]-N,N-dimethyl-2-oxoethanaminium 2,4,6-trioxohexahydropyrimidin-5-ide","","- C18 H26 N4 O4 -","- C18 H26 N4 O4 -","- C72 H104 N16 O16 -","4","2","","Gryl, Marlena; Kozieł, Marcin; Stadnicka, Katarzyna; Matulková, Irena; Němec, Ivan; Tesařová, Naďa; Němec, Petr","Lidocaine barbiturate: a promising material for second harmonic generation","CrystEngComm","2013","15","17","3275","","10.1039/c3ce00059a","","","0.71073","MoKα","","0.0407","0.0373","","","0.0894","0.0908","","","","","","1.141","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214621","11.2689","0.0005","11.2689","0.0005","29.897","0.002","90","","90","","90","","3796.6","0.3","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C36 H20 N4 Ni2 O14 -","- C36 H20 N4 Ni2 O14 -","- C144 H80 N16 Ni8 O56 -","4","0.5","","Gong, Yun; Li, Jian; Qin, Jianbo; Lin, Jianhua","A homochiral network constructed by supramolecular packing of 2D chiral bilayer: synthesis, structure and property of metal(ii) complex based on achiral 3,3′,4,4′-oxydiphthalate and coligand","CrystEngComm","2012","14","18","5862","","10.1039/c2ce25702e","","","0.71073","MoKα","","0.099","0.0892","","","0.2414","0.249","","","","","","1.108","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214622","21.412","0.013","9.512","0.005","29.262","0.013","90","","126.59","0.03","90","","4785","5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C104 H64 Cu4 N8 O40 -","- C104 H64 Cu4 N8 O40 -","- C208 H128 Cu8 N16 O80 -","2","0.5","","Gong, Yun; Li, Jian; Qin, Jianbo; Lin, Jianhua","A homochiral network constructed by supramolecular packing of 2D chiral bilayer: synthesis, structure and property of metal(ii) complex based on achiral 3,3′,4,4′-oxydiphthalate and coligand","CrystEngComm","2012","14","18","5862","","10.1039/c2ce25702e","","","0.71073","MoKα","","0.0912","0.0817","","","0.227","0.2385","","","","","","1.09","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214623","29.6634","0.0005","9.0656","0.0002","24.3568","0.0005","90","","100.831","0.002","90","","6433.3","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H38 Co3 N6 O30 -","- C62 H38 Co3 N6 O30 -","- C248 H152 Co12 N24 O120 -","4","0.5","","Gong, Yun; Li, Jian; Qin, Jianbo; Lin, Jianhua","A homochiral network constructed by supramolecular packing of 2D chiral bilayer: synthesis, structure and property of metal(ii) complex based on achiral 3,3′,4,4′-oxydiphthalate and coligand","CrystEngComm","2012","14","18","5862","","10.1039/c2ce25702e","","","0.71073","MoKα","","0.0471","0.0349","","","0.1091","0.113","","","","","","1.043","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214624","14.44","0.0012","20.3899","0.0018","19.5001","0.0017","90","","108.521","0.002","90","","5444.1","0.8","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H62 F2 N6 O23 Zn2 -","- C54 H62.002 F2 N6 O23 Zn2 -","- C216 H248.008 F8 N24 O92 Zn8 -","4","0.5","","Gong, Yun; Li, Jian; Qin, Jianbo; Lin, Jianhua","A homochiral network constructed by supramolecular packing of 2D chiral bilayer: synthesis, structure and property of metal(ii) complex based on achiral 3,3′,4,4′-oxydiphthalate and coligand","CrystEngComm","2012","14","18","5862","","10.1039/c2ce25702e","","","0.71073","MoKα","","0.168","0.083","","","0.2055","0.2534","","","","","","0.994","","","","has coordinates,has disorder","180477","2020-10-21","18:00:00",""
"7214625","9.4178","0.0003","15.4572","0.0006","18.2451","0.0009","95.399","0.004","91.352","0.004","90.312","0.003","2643.39","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H67 N4 O25.5 Zn4 -","- C36 H55 N4 O25.5 Zn4 -","- C72 H110 N8 O51 Zn8 -","2","1","","Duan, Chunmei; Luo, Daibing; Zeng, Hongmei; Kang, Maoping; Lin, Zhien","Solvent-free synthesis of new open-framework oxalate structures","CrystEngComm","2012","14","18","5734","","10.1039/c2ce25856k","","","0.71073","MoKα","","0.079","0.0526","","","0.1515","0.1619","","","","","","1.078","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214626","15.5337","0.0004","9.8251","0.0003","16.7644","0.0005","90","","90","","90","","2558.59","0.13","293","2","293","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C18 H36 Co2 N2 O14 -","- C18 Co2 N2 O14 -","- C72 Co8 N8 O56 -","4","","","Duan, Chunmei; Luo, Daibing; Zeng, Hongmei; Kang, Maoping; Lin, Zhien","Solvent-free synthesis of new open-framework oxalate structures","CrystEngComm","2012","14","18","5734","","10.1039/c2ce25856k","","","0.71073","MoKα","","0.0487","0.0417","","","0.1309","0.1368","","","","","","1.123","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214627","9.69","0.0006","14.4331","0.0008","29.8442","0.0008","90","","90","","90","","4173.9","0.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C9 H22 Mn2 N2 O17 P2 -","- C9 H22 Mn2 N2 O17 P2 -","- C72 H176 Mn16 N16 O136 P16 -","8","1","","Duan, Chunmei; Luo, Daibing; Zeng, Hongmei; Kang, Maoping; Lin, Zhien","Solvent-free synthesis of new open-framework oxalate structures","CrystEngComm","2012","14","18","5734","","10.1039/c2ce25856k","","","0.71073","MoKα","","0.0486","0.0382","","","0.0859","0.0902","","","","","","1.083","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214628","13.884","0.003","12.146","0.002","16.327","0.003","90","","114.5","0.03","90","","2505.4","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H12.8 N2 O7.4 Zn -","- C8 H12 N2 O7.4 Zn -","- C64 H96 N16 O59.2 Zn8 -","8","1","","Duan, Chunmei; Luo, Daibing; Zeng, Hongmei; Kang, Maoping; Lin, Zhien","Solvent-free synthesis of new open-framework oxalate structures","CrystEngComm","2012","14","18","5734","","10.1039/c2ce25856k","","","0.71073","MoKα","","0.0441","0.0362","","","0.0995","0.1041","","","","","","1.093","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214629","11.6964","0.0008","17.7522","0.0004","22.794","0.0012","90","","90","","90","","4732.9","0.4","183","2","183","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","N1-hexylthymine","1-hexyl-5-methylpyrimidine-2,4(1H,3H)-dione","","- C11 H18 N2 O2 -","- C11 H18 N2 O2 -","- C176 H288 N32 O32 -","16","2","","Barceló-Oliver, Miquel; Baquero, Beatriz A.; Bauzá, Antonio; García-Raso, Angel; Terrón, Angel; Mata, Ignasi; Molins, Elies; Frontera, Antonio","Experimental and theoretical study of thymine and cytosine derivatives: the crucial role of weak noncovalent interactions","CrystEngComm","2012","14","18","5777","","10.1039/c2ce25580d","","","0.71073","","","0.1085","0.0599","","","0.1795","0.1982","","","","","","1.05","","","","has coordinates,has disorder","180477","2020-10-21","18:00:00",""
"7214630","6.685","0.001","8.004","0.003","12.907","0.006","89.62","0.05","84.5","0.03","81.14","0.03","679.2","0.4","294","2","294","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C10 H18 Br N3 O -","- C10 H18 Br N3 O -","- C20 H36 Br2 N6 O2 -","2","1","","Barceló-Oliver, Miquel; Baquero, Beatriz A.; Bauzá, Antonio; García-Raso, Angel; Terrón, Angel; Mata, Ignasi; Molins, Elies; Frontera, Antonio","Experimental and theoretical study of thymine and cytosine derivatives: the crucial role of weak noncovalent interactions","CrystEngComm","2012","14","18","5777","","10.1039/c2ce25580d","","x-ray","0.71073","MoKα","","0.1309","0.0547","","","0.1126","0.1344","","","","","","1.016","","","","has coordinates,has disorder","180477","2020-10-21","18:00:00",""
"7214631","7.4416","0.0002","28.1838","0.0011","25.9487","0.0006","90","","91.616","0.003","90","","5440.1","0.3","183","2","183","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H70 Cl6 Hg2 N12 O4 -","- C40 H70 Cl6 Hg2 N12 O4 -","- C160 H280 Cl24 Hg8 N48 O16 -","4","1","","Barceló-Oliver, Miquel; Baquero, Beatriz A.; Bauzá, Antonio; García-Raso, Angel; Terrón, Angel; Mata, Ignasi; Molins, Elies; Frontera, Antonio","Experimental and theoretical study of thymine and cytosine derivatives: the crucial role of weak noncovalent interactions","CrystEngComm","2012","14","18","5777","","10.1039/c2ce25580d","","","0.71073","","","0.0896","0.052","","","0.1555","0.1652","","","","","","0.972","","","","has coordinates,has disorder","180477","2020-10-21","18:00:00",""
"7214632","22.18","0.003","22.18","0.003","43.666","0.009","90","","90","","90","","21482","6","291","2","291","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C201 H288 Cd7 N18 O83 -","- C172 H192 Cd7 N6 O72 -","- C688 H768 Cd28 N24 O288 -","4","0.25","","Xu, Heng; Bao, Weiwei; Xu, Yan; Liu, Xiaolan; Shen, Xuan; Zhu, Dunru","An unprecedented 3D/3D hetero-interpenetrated MOF built from two different nodes, chemical composition, and topology of networks","CrystEngComm","2012","14","18","5720","","10.1039/c2ce25739d","","","0.71073","MoKα","","0.0588","0.0514","","","0.1225","0.1262","","","","","","1.059","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214633","34.7123","0.0006","6.19971","0.00011","7.24791","0.00013","90","","91.5454","0.0007","90","","1559.23","0.05","213.1","","213.1","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C76 H76 N4 O8 -","4","1","","Sasaki, Toshiyuki; Hisaki, Ichiro; Tsuzuki, Seiji; Tohnai, Norimitsu; Miyata, Mikiji","Halogen bond effect on bundling of hydrogen bonded 2-fold helical columns","CrystEngComm","2012","14","18","5749","","10.1039/c2ce26081f","","","1.54187","CuKα","","","0.0395","","","","0.1172","","","","","","1.116","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214634","38.2177","0.0007","6.1954","0.00011","7.19732","0.00013","90","","92.0811","0.0007","90","","1703.01","0.05","213.1","","213.1","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C19 H18 Br N O2 -","- C19 H18 Br N O2 -","- C76 H72 Br4 N4 O8 -","4","1","","Sasaki, Toshiyuki; Hisaki, Ichiro; Tsuzuki, Seiji; Tohnai, Norimitsu; Miyata, Mikiji","Halogen bond effect on bundling of hydrogen bonded 2-fold helical columns","CrystEngComm","2012","14","18","5749","","10.1039/c2ce26081f","","","1.54187","CuKα","","","0.0387","","","","0.1096","","","","","","1.207","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214635","37.4749","0.0007","6.19581","0.00011","7.19661","0.00013","90","","92.8197","0.0008","90","","1668.94","0.05","213.1","","213.1","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C19 H18 Cl N O2 -","- C19 H18 Cl N O2 -","- C76 H72 Cl4 N4 O8 -","4","1","","Sasaki, Toshiyuki; Hisaki, Ichiro; Tsuzuki, Seiji; Tohnai, Norimitsu; Miyata, Mikiji","Halogen bond effect on bundling of hydrogen bonded 2-fold helical columns","CrystEngComm","2012","14","18","5749","","10.1039/c2ce26081f","","","1.54187","CuKα","","","0.042","","","","0.1111","","","","","","1.061","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214636","35.5961","0.0009","6.21689","0.00018","7.1819","0.0002","90","","92.5391","0.0014","90","","1587.77","0.08","213.1","","213.1","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C19 H18 F N O2 -","- C19 H18 F N O2 -","- C76 H72 F4 N4 O8 -","4","1","","Sasaki, Toshiyuki; Hisaki, Ichiro; Tsuzuki, Seiji; Tohnai, Norimitsu; Miyata, Mikiji","Halogen bond effect on bundling of hydrogen bonded 2-fold helical columns","CrystEngComm","2012","14","18","5749","","10.1039/c2ce26081f","","","1.54187","CuKα","","","0.0619","","","","0.1914","","","","","","1.109","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214637","5.96084","0.00015","12.8706","0.0002","22.8019","0.0004","90","","90","","90","","1749.35","0.06","213.1","","213.1","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 I N O2 -","- C19 H18 I N O2 -","- C76 H72 I4 N4 O8 -","4","1","","Sasaki, Toshiyuki; Hisaki, Ichiro; Tsuzuki, Seiji; Tohnai, Norimitsu; Miyata, Mikiji","Halogen bond effect on bundling of hydrogen bonded 2-fold helical columns","CrystEngComm","2012","14","18","5749","","10.1039/c2ce26081f","","","1.54187","CuKα","","","0.0625","","","","0.1574","","","","","","1.046","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214638","4.4201","0.0004","4.4201","0.0002","37.487","0.003","90","0.005","90","0.006","120","0.007","634.27","0.09","291.4","","291.4","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- B Be2 F2 K O3 -","- B Be2 F2 K O3 -","- B6 Be12 F12 K6 O18 -","6","0.166667","","Sang, Yuanhua; Yu, Dehong; Avdeev, Maxim; Piltz, Ross; Sharma, Neeraj; Ye, Ning; Liu, Hong; Wang, Jiyang","X-ray and neutron diffraction studies of flux and hydrothermally grown nonlinear optical material KBe2BO3F2","CrystEngComm","2012","14","18","6079","","10.1039/c2ce25828e","","","0.7107","MoKα","","0.0366","0.0312","","","0.0411","0.0417","","","","2.5","2.5","2.39","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214639","7.3729","0.0004","11.2139","0.0004","20.1034","0.0008","90","","90","","90","","1662.13","0.13","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 Cu N3 O3 -","- C17 H21 Cu N3 O3 -","- C68 H84 Cu4 N12 O12 -","4","1","","Biswas, Apurba; Estarellas, Carolina; Frontera, Antonio; Ballester, Pablo; Drew, Michael G. B.; Gamez, Patrick; Ghosh, Ashutosh","Effect of a methyl group on the spontaneous resolution of a square-pyramidal coordination compound: crystal packing and conglomerate formation","CrystEngComm","2012","14","18","5854","","10.1039/c2ce25497b","","","0.71073","MoKα","","0.0611","0.0449","","","0.0824","0.0892","","","","","","0.974","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214640","7.3456","0.0005","11.2047","0.0008","20.0815","0.0015","90","","90","","90","","1652.8","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 Cu N3 O3 -","- C17 H21 Cu N3 O3 -","- C68 H84 Cu4 N12 O12 -","4","1","","Biswas, Apurba; Estarellas, Carolina; Frontera, Antonio; Ballester, Pablo; Drew, Michael G. B.; Gamez, Patrick; Ghosh, Ashutosh","Effect of a methyl group on the spontaneous resolution of a square-pyramidal coordination compound: crystal packing and conglomerate formation","CrystEngComm","2012","14","18","5854","","10.1039/c2ce25497b","","","0.71073","MoKα","","0.0297","0.0281","","","0.0718","0.0727","","","","","","1.091","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214641","9.126","0.005","13.963","0.005","14.834","0.005","90","","103.643","0.005","90","","1836.9","1.4","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 Cu N3 O3 -","- C18 H23 Cu N3 O3 -","- C72 H92 Cu4 N12 O12 -","4","1","","Biswas, Apurba; Estarellas, Carolina; Frontera, Antonio; Ballester, Pablo; Drew, Michael G. B.; Gamez, Patrick; Ghosh, Ashutosh","Effect of a methyl group on the spontaneous resolution of a square-pyramidal coordination compound: crystal packing and conglomerate formation","CrystEngComm","2012","14","18","5854","","10.1039/c2ce25497b","","","0.71073","MoKα","","0.0483","0.0336","","","0.0904","0.0945","","","","","","1.062","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214642","23.334","0.016","9.933","0.005","8.938","0.005","90","","112.509","0.007","90","","1914","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 N2 O10 P2 Zn2 -","- C14 H18 N2 O10 P2 Zn2 -","- C56 H72 N8 O40 P8 Zn8 -","4","0.5","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","New 3D metal phosphonates with bright tunable luminescence for the reversible sensing of nitrobenzene","CrystEngComm","2012","14","18","5761","","10.1039/c2ce25608h","","","0.71073","MoKα","","0.0348","0.0305","","","0.0758","0.0782","","","","","","1.088","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214643","23.255","0.005","9.9714","0.0017","8.808","0.0018","90","","112.174","0.009","90","","1891.4","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 Co2 N2 O10 P2 -","- C14 H18 Co2 N2 O10 P2 -","- C56 H72 Co8 N8 O40 P8 -","4","0.5","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","New 3D metal phosphonates with bright tunable luminescence for the reversible sensing of nitrobenzene","CrystEngComm","2012","14","18","5761","","10.1039/c2ce25608h","","","0.71073","MoKα","","0.0611","0.0465","","","0.1421","0.1833","","","","","","1.201","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214644","14.0511","0.0008","14.0511","0.0008","22.6054","0.0016","90","","90","","120","","3865.1","0.4","130","2","130","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C38.32 H43.32 B4 Cu4 F16 N13 O0.33 -","- C38.32 H43.32 B4 Cu4 F16 N13 O0.33 -","- C114.96 H129.96 B12 Cu12 F48 N39 O0.99 -","3","0.333333","","Maekawa, Masahiko; Tominaga, Toshi; Sugimoto, Kunihisa; Okubo, Takashi; Kuroda‒Sowa, Takayoshi; Munakata, Megumu; Kitagawa, Susumu","Structural controls of 2D sheet copper(i) ethylene and carbonyl coordination polymers directed by anions and solvents","CrystEngComm","2012","14","18","5955","","10.1039/c2ce25211b","","","0.7107","MoKα","","0.0273","0.0272","","","0.0722","0.0723","","","","","","1.106","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214645","14.448","0.014","14.448","0.014","21.25","0.02","90","","90","","120","","3842","6","119","2","119","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C36.33 H42 Cl4 Cu4 N12 O16.33 -","- C36.33 H42 Cl4 Cu4 N12 O16.33 -","- C108.99 H126 Cl12 Cu12 N36 O48.99 -","3","0.333333","","Maekawa, Masahiko; Tominaga, Toshi; Sugimoto, Kunihisa; Okubo, Takashi; Kuroda‒Sowa, Takayoshi; Munakata, Megumu; Kitagawa, Susumu","Structural controls of 2D sheet copper(i) ethylene and carbonyl coordination polymers directed by anions and solvents","CrystEngComm","2012","14","18","5955","","10.1039/c2ce25211b","","","0.7107","MoKα","","0.0574","0.0494","","","0.1252","0.1293","","","","","","1.122","","","","has coordinates,has disorder","180477","2020-10-21","18:00:00",""
"7214646","14.3797","0.0015","14.3797","0.0015","23.083","0.003","90","","90","","120","","4133.5","0.8","120","2","120","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C37 H30 Cu4 F24 N14 O3 P4 -","- C37 H35.94 Cu4 F24 N14 O3 P4 -","- C111 H107.82 Cu12 F72 N42 O9 P12 -","3","0.333333","","Maekawa, Masahiko; Tominaga, Toshi; Sugimoto, Kunihisa; Okubo, Takashi; Kuroda‒Sowa, Takayoshi; Munakata, Megumu; Kitagawa, Susumu","Structural controls of 2D sheet copper(i) ethylene and carbonyl coordination polymers directed by anions and solvents","CrystEngComm","2012","14","18","5955","","10.1039/c2ce25211b","","","0.7107","MoKα","","0.0639","0.0567","","","0.1198","0.1231","","","","","","1.076","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214647","12.9479","0.0009","12.9479","0.0009","40.274","0.003","90","","90","","90","","6751.9","0.8","120","1","120","1","","","","","","","","7","I -4 2 d","I -4 2bw","122","","","","- C48 H56 B4 Cu4 F16 N16 O8 -","- C48 H44 B4 Cu4 F16 N16 O8 -","- C192 H176 B16 Cu16 F64 N64 O32 -","4","0.25","","Maekawa, Masahiko; Tominaga, Toshi; Sugimoto, Kunihisa; Okubo, Takashi; Kuroda‒Sowa, Takayoshi; Munakata, Megumu; Kitagawa, Susumu","Structural controls of 2D sheet copper(i) ethylene and carbonyl coordination polymers directed by anions and solvents","CrystEngComm","2012","14","18","5955","","10.1039/c2ce25211b","","","0.71073","MoKα","","0.0442","0.042","","","0.1157","0.1179","","","","","","1.046","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214648","21.3405","0.0005","30.1083","0.0006","30.8273","0.0007","90","","90","","90","","19807.3","0.8","150","2","150","2","","","","","","","","7","I m m m","-I 2 2","71","((CH3)4N)4 ((Co4Cl(C40H44O4S4))4 (C8H4O4)8","","","- C240 H256 Cl4 Co16 N4 O48 S16 -","- C224 H208 Cl4 Co16 O48 S16 -","- C448 H416 Cl8 Co32 O96 S32 -","2","0.125","","Liu, Mei; Liao, Wuping","Bridging calixarene-based {Co4} units into a square or belt with aromatic dicarboxylic acids","CrystEngComm","2012","14","18","5727","","10.1039/c2ce25692d","","","0.71073","MoKα","","0.1248","0.0797","","","0.2152","0.2458","","","","","","1.017","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214649","30.1467","0.0013","30.1467","0.0013","21.2135","0.0013","90","","90","","90","","19279.3","1.7","100","2","100","2","","","","","","","","7","I 4/m m m","-I 4 2","139","((CH3)4N)4 ((Co4Cl(C40H44O4S4))4 (C7NH3O4)8","","","- C232 H248 Cl4 Co16 N12 O48 S16 -","- C216 H200 Cl4 Co16 N8 O48 S16 -","- C432 H400 Cl8 Co32 N16 O96 S32 -","2","0.0625","","Liu, Mei; Liao, Wuping","Bridging calixarene-based {Co4} units into a square or belt with aromatic dicarboxylic acids","CrystEngComm","2012","14","18","5727","","10.1039/c2ce25692d","","","0.71073","MoKα","","0.0823","0.0509","","","0.1235","0.1348","","","","","","1.06","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214650","11.6208","0.0008","17.0306","0.0011","19.802","0.0013","97.985","0.001","99.959","0.001","101.232","0.001","3725.1","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","(((Co4Cl2(H2O)2(C40H44O4S4))((Co4Cl2(H2O)2 (C40H45O4S4))Cl) (C8H4O4)2","","","- C96 H105 Cl5 Co8 O20 S8 -","- C96 H96 Cl5 Co8 O20 S8 -","- C96 H96 Cl5 Co8 O20 S8 -","1","0.5","","Liu, Mei; Liao, Wuping","Bridging calixarene-based {Co4} units into a square or belt with aromatic dicarboxylic acids","CrystEngComm","2012","14","18","5727","","10.1039/c2ce25692d","","","0.71073","MoKα","","0.0856","0.0491","","","0.1124","0.1224","","","","","","0.879","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214651","8.8952","0.0008","12.8953","0.0012","11.1052","0.001","90","","96.686","0.002","90","","1265.2","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 F6 N3 O2 P -","- C8 H10 F6 N3 O2 P -","- C32 H40 F24 N12 O8 P4 -","4","1","","Li, Wei-Liang; Wu, An-Kai; Lee, Kwang-Ming","Anion-controlled dimerized rectangular, herringbone and tape building blocks by L-shaped diamide-substituted pyridinium salts via N‒H⋯O and C‒H⋯O hydrogen bonding","CrystEngComm","2012","14","18","6072","","10.1039/c2ce25695a","","","0.71073","MoKα","","0.0494","0.0356","","","0.0887","0.0954","","","","","","1.037","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214652","11.6815","0.0004","12.4142","0.0005","18.5652","0.0007","90","","100.784","0.001","90","","2644.71","0.17","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H10 F3 N3 O5 S -","- C9 H10 F3 N3 O5 S -","- C72 H80 F24 N24 O40 S8 -","8","2","","Li, Wei-Liang; Wu, An-Kai; Lee, Kwang-Ming","Anion-controlled dimerized rectangular, herringbone and tape building blocks by L-shaped diamide-substituted pyridinium salts via N‒H⋯O and C‒H⋯O hydrogen bonding","CrystEngComm","2012","14","18","6072","","10.1039/c2ce25695a","","","0.71073","MoKα","","0.0483","0.035","","","0.0816","0.088","","","","","","1.024","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214653","9.8176","0.0005","17.2416","0.0007","30.5102","0.0014","90","","90","","90","","5164.5","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H30 B N3 O2 -","- C32 H30 B N3 O2 -","- C256 H240 B8 N24 O16 -","8","1","","Li, Wei-Liang; Wu, An-Kai; Lee, Kwang-Ming","Anion-controlled dimerized rectangular, herringbone and tape building blocks by L-shaped diamide-substituted pyridinium salts via N‒H⋯O and C‒H⋯O hydrogen bonding","CrystEngComm","2012","14","18","6072","","10.1039/c2ce25695a","","","0.71073","MoKα","","0.0663","0.0438","","","0.1281","0.1697","","","","","","1.083","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214654","5.036","0.0001","28.8208","0.0007","6.9016","0.0002","90","","109.029","0.001","90","","946.97","0.04","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C8 H10 Br N3 O2 -","- C8 H10 Br N3 O2 -","- C32 H40 Br4 N12 O8 -","4","1","","Li, Wei-Liang; Wu, An-Kai; Lee, Kwang-Ming","Anion-controlled dimerized rectangular, herringbone and tape building blocks by L-shaped diamide-substituted pyridinium salts via N‒H⋯O and C‒H⋯O hydrogen bonding","CrystEngComm","2012","14","18","6072","","10.1039/c2ce25695a","","","0.71073","MoKα","","0.0487","0.0464","","","0.1194","0.1331","","","","","","1.115","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214655","29.95","0.012","4.995","0.002","22.828","0.01","90","","90","","90","","3415","2","150","2","150","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C18 H15 Cl N2 O2 S -","- C18 H15 Cl N2 O2 S -","- C144 H120 Cl8 N16 O16 S8 -","8","2","","Grobelny, Pawel; Mukherjee, Arijit; Desiraju, Gautam R.","Polymorphs and hydrates of Etoricoxib, a selective COX-2 inhibitor","CrystEngComm","2012","14","18","5785","","10.1039/c2ce06604a","","","0.71073","MoKα","","0.0847","0.0658","","","0.1599","0.2089","","","","","","1.12","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214656","8.052","0.0016","10.412","0.002","10.455","0.002","85.62","0.03","83.17","0.03","80.56","0.03","857.1","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H15 Cl N2 O2 S -","- C18 H15 Cl N2 O2 S -","- C36 H30 Cl2 N4 O4 S2 -","2","1","","Grobelny, Pawel; Mukherjee, Arijit; Desiraju, Gautam R.","Polymorphs and hydrates of Etoricoxib, a selective COX-2 inhibitor","CrystEngComm","2012","14","18","5785","","10.1039/c2ce06604a","","","0.71073","MoKα","","0.0487","0.039","","","0.128","0.1508","","","","","","0.938","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214657","20.9182","0.0015","12.4873","0.0008","12.8222","0.0008","90","","90","","90","","3349.3","0.4","153","2","153","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C18 H16 Cl N2 O2.5 S -","- C18 H16 Cl N2 O2.4975 S -","- C144 H128 Cl8 N16 O19.98 S8 -","8","1","","Grobelny, Pawel; Mukherjee, Arijit; Desiraju, Gautam R.","Polymorphs and hydrates of Etoricoxib, a selective COX-2 inhibitor","CrystEngComm","2012","14","18","5785","","10.1039/c2ce06604a","","","0.71073","MoKα","","0.0417","0.0364","","","0.0864","0.0888","","","","","","1.12","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214658","10.889","0.002","12.359","0.003","12.803","0.003","90","","93.496","0.007","90","","1719.8","0.7","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 Cl N2 O2.69 S -","- C18 H15 Cl N2 O2.694 S -","- C72 H60 Cl4 N8 O10.776 S4 -","4","1","","Grobelny, Pawel; Mukherjee, Arijit; Desiraju, Gautam R.","Polymorphs and hydrates of Etoricoxib, a selective COX-2 inhibitor","CrystEngComm","2012","14","18","5785","","10.1039/c2ce06604a","","","0.71073","MoKα","","0.0649","0.047","","","0.1076","0.1155","","","","","","1.057","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214659","16.3642","0.0006","17.0748","0.0006","20.623","0.0007","90","","90.226","0.002","90","","5762.3","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C57 H59 N5 O11 S4 Zn2 -","- C57 H59 N5 O11 S4 Zn2 -","- C228 H236 N20 O44 S16 Zn8 -","4","1","","Earl, Lyndsey D.; Patrick, Brian O.; Wolf, Michael O.","Synthesis, structure, and luminescent properties of oligothiophene-containing metal‒organic frameworks","CrystEngComm","2012","14","18","5801","","10.1039/c2ce25529d","","","0.71069","MoKα","","0.0733","0.0525","","","0.1326","0.1425","","","","","","1.101","","","","has coordinates,has disorder","180477","2020-10-21","18:00:00",""
"7214660","7.503","0.003","18.281","0.006","19.375","0.006","90","","100.47","0.015","90","","2613.3","1.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H35 N O4 S2 Zn -","- C24 H35 N O4 S2 Zn -","- C96 H140 N4 O16 S8 Zn4 -","4","1","","Earl, Lyndsey D.; Patrick, Brian O.; Wolf, Michael O.","Synthesis, structure, and luminescent properties of oligothiophene-containing metal‒organic frameworks","CrystEngComm","2012","14","18","5801","","10.1039/c2ce25529d","","","0.71069","MoKα","","0.1697","0.0638","","","0.1349","0.1788","","","","","","0.952","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214661","17.1764","0.0008","22.0141","0.0012","9.9312","0.0005","90","","96.535","0.002","90","","3730.8","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H9 N O4 S2 Zn -","- C16 H9 N O4 S2 Zn -","- C128 H72 N8 O32 S16 Zn8 -","8","1","","Earl, Lyndsey D.; Patrick, Brian O.; Wolf, Michael O.","Synthesis, structure, and luminescent properties of oligothiophene-containing metal‒organic frameworks","CrystEngComm","2012","14","18","5801","","10.1039/c2ce25529d","","","0.71073","MoKα","","0.0772","0.042","","","0.101","0.1102","","","","","","0.962","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214662","8.6855","0.0015","12.7109","0.0018","18.183","0.003","91.81","0.008","102.91","0.009","106.455","0.008","1866.8","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H36 N4 O6 S2 Zn -","- C40 H36 N4 O6 S2 Zn -","- C80 H72 N8 O12 S4 Zn2 -","2","1","","Earl, Lyndsey D.; Patrick, Brian O.; Wolf, Michael O.","Synthesis, structure, and luminescent properties of oligothiophene-containing metal‒organic frameworks","CrystEngComm","2012","14","18","5801","","10.1039/c2ce25529d","","","0.71073","MoKα","","0.1068","0.0515","","","0.1012","0.1314","","","","","","1.017","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214663","31.138","0.002","39.627","0.002","22.721","0.002","90","","121.737","0.002","90","","23843","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C201 H257 N15 O32 S12 Zn6 -","- C200.475 H257 N15 O32 S12 Zn6 -","- C801.9 H1028 N60 O128 S48 Zn24 -","4","0.5","","Earl, Lyndsey D.; Patrick, Brian O.; Wolf, Michael O.","Synthesis, structure, and luminescent properties of oligothiophene-containing metal‒organic frameworks","CrystEngComm","2012","14","18","5801","","10.1039/c2ce25529d","","","0.71069","MoKα","","0.0876","0.0542","","","0.1488","0.1611","","","","","","1.078","","","","has coordinates,has disorder","180477","2020-10-21","18:00:00",""
"7214664","12.03","0.02","12.18","0.02","15.34","0.03","97.25","0.03","102.28","0.03","110.37","0.03","2009","6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H58 Cu2 Mo12 N12 O54 Si -","- C42 H42 Cu2 Mo12 N12 O54 Si -","- C42 H42 Cu2 Mo12 N12 O54 Si -","1","0.5","","Wang, Xiuli; Xu, Chuang; Lin, Hongyan; Liu, Guocheng; Yang, Song; Gao, Qiang; Tian, Aixiang","Tuning the architectures of polyoxometalate-templated complexes by changing the spacer lengths of bis-pyridyl-bis-amide ligands (L): from 1D chains to 2D networks based on different (CuL)n loops","CrystEngComm","2012","14","18","5836","","10.1039/c2ce25371b","","","0.71073","MoKα","","0.0907","0.0639","","","0.1561","0.1745","","","","","","1.071","","","","has coordinates,has disorder","180477","2020-10-21","18:00:00",""
"7214665","27.702","0.003","21.936","0.003","14.7045","0.0015","90","","91.589","0.002","90","","8932.1","1.8","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H84 Cu2 Mo12 N12 O61 Si -","- C48 H46 Cu2 Mo12 N12 O61 Si -","- C192 H184 Cu8 Mo48 N48 O244 Si4 -","4","0.5","","Wang, Xiuli; Xu, Chuang; Lin, Hongyan; Liu, Guocheng; Yang, Song; Gao, Qiang; Tian, Aixiang","Tuning the architectures of polyoxometalate-templated complexes by changing the spacer lengths of bis-pyridyl-bis-amide ligands (L): from 1D chains to 2D networks based on different (CuL)n loops","CrystEngComm","2012","14","18","5836","","10.1039/c2ce25371b","","","0.71073","MoKα","","0.1128","0.0672","","","0.1668","0.1841","","","","","","1.08","","","","has coordinates,has disorder","180477","2020-10-21","18:00:00",""
"7214666","27.885","0.003","21.858","0.003","14.8631","0.0017","90","","90.45","0.002","90","","9058.9","1.9","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H78 Cu2 N12 O58 Si W12 -","- C48 H46 Cu2 N12 O58 Si W12 -","- C192 H184 Cu8 N48 O232 Si4 W48 -","4","0.5","","Wang, Xiuli; Xu, Chuang; Lin, Hongyan; Liu, Guocheng; Yang, Song; Gao, Qiang; Tian, Aixiang","Tuning the architectures of polyoxometalate-templated complexes by changing the spacer lengths of bis-pyridyl-bis-amide ligands (L): from 1D chains to 2D networks based on different (CuL)n loops","CrystEngComm","2012","14","18","5836","","10.1039/c2ce25371b","","","0.71073","MoKα","","0.0901","0.0488","","","0.1109","0.1226","","","","","","1.011","","","","has coordinates,has disorder","180477","2020-10-21","18:00:00",""
"7214667","11.3637","0.0009","12.9558","0.0011","16.8671","0.0014","100.639","0.001","108.695","0.001","91.221","0.001","2303.2","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H86 Cu2 Mo12 N12 O56 Si -","- C54 H66 Cu2 Mo12 N12 O56 Si -","- C54 H66 Cu2 Mo12 N12 O56 Si -","1","0.5","","Wang, Xiuli; Xu, Chuang; Lin, Hongyan; Liu, Guocheng; Yang, Song; Gao, Qiang; Tian, Aixiang","Tuning the architectures of polyoxometalate-templated complexes by changing the spacer lengths of bis-pyridyl-bis-amide ligands (L): from 1D chains to 2D networks based on different (CuL)n loops","CrystEngComm","2012","14","18","5836","","10.1039/c2ce25371b","","","0.71073","MoKα","","0.0431","0.0396","","","0.1024","0.1047","","","","","","1.097","","","","has coordinates,has disorder","180477","2020-10-21","18:00:00",""
"7214668","11.38","0.002","13.015","0.002","16.866","0.003","101.322","0.002","108.603","0.002","90.544","0.002","2314.4","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H86 Cu2 N12 O56 Si W12 -","- C54 H66 Cu2 N12 O56 Si W12 -","- C54 H66 Cu2 N12 O56 Si W12 -","1","0.5","","Wang, Xiuli; Xu, Chuang; Lin, Hongyan; Liu, Guocheng; Yang, Song; Gao, Qiang; Tian, Aixiang","Tuning the architectures of polyoxometalate-templated complexes by changing the spacer lengths of bis-pyridyl-bis-amide ligands (L): from 1D chains to 2D networks based on different (CuL)n loops","CrystEngComm","2012","14","18","5836","","10.1039/c2ce25371b","","","0.71073","MoKα","","0.0552","0.0405","","","0.0987","0.1078","","","","","","1.011","","","","has coordinates,has disorder","180477","2020-10-21","18:00:00",""
"7214669","9.851","0.004","14.822","0.006","20.233","0.009","73.448","0.005","82.987","0.005","77.721","0.005","2761","2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H78 Br12 Cu12 N12 O39 Sm4 -","- C72 H48 Br12 Cu12 N12 O39 Sm4 -","- C72 H48 Br12 Cu12 N12 O39 Sm4 -","1","0.5","","Peng, Guo; Liu, Zhihui; Ma, Li; Liang, Li; Zhang, Limin; Kostakis, George. E; Deng, Hong","A series of 3d‒4f heterometallic coordination polymers constructed from size-tunable copper halide clusters and lanthanide-organic motifs","CrystEngComm","2012","14","18","5974","","10.1039/c2ce25214g","","","0.71073","MoKα","","0.0763","0.0536","","","0.1271","0.1395","","","","","","1.015","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214670","9.8257","0.0014","14.79","0.002","20.182","0.003","73.386","0.002","82.825","0.002","77.75","0.002","2740","0.7","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H78 Br12 Cu12 Eu4 N12 O39 -","- C72 H48 Br12 Cu12 Eu4 N12 O39 -","- C72 H48 Br12 Cu12 Eu4 N12 O39 -","1","0.5","","Peng, Guo; Liu, Zhihui; Ma, Li; Liang, Li; Zhang, Limin; Kostakis, George. E; Deng, Hong","A series of 3d‒4f heterometallic coordination polymers constructed from size-tunable copper halide clusters and lanthanide-organic motifs","CrystEngComm","2012","14","18","5974","","10.1039/c2ce25214g","","","0.71073","MoKα","","0.078","0.0435","","","0.0956","0.1086","","","","","","1.009","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214671","9.8116","0.0007","14.7661","0.001","20.1753","0.0014","73.213","0.001","82.541","0.001","77.748","0.001","2727.3","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H78 Br12 Cu12 N12 O39 Tb4 -","- C72 H48 Br12 Cu12 N12 O39 Tb4 -","- C72 H48 Br12 Cu12 N12 O39 Tb4 -","1","0.5","","Peng, Guo; Liu, Zhihui; Ma, Li; Liang, Li; Zhang, Limin; Kostakis, George. E; Deng, Hong","A series of 3d‒4f heterometallic coordination polymers constructed from size-tunable copper halide clusters and lanthanide-organic motifs","CrystEngComm","2012","14","18","5974","","10.1039/c2ce25214g","","","0.71073","MoKα","","0.048","0.0338","","","0.0789","0.0848","","","","","","1.039","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214672","9.9176","0.0008","32.983","0.003","12.9111","0.0009","90","","90","","90","","4223.4","0.6","296","2","296","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C13 H16 Br2 Cu2 Gd N2 O10 -","- C13 H8 Br2 Cu2 Gd N2 O10 -","- C104 H64 Br16 Cu16 Gd8 N16 O80 -","8","1","","Peng, Guo; Liu, Zhihui; Ma, Li; Liang, Li; Zhang, Limin; Kostakis, George. E; Deng, Hong","A series of 3d‒4f heterometallic coordination polymers constructed from size-tunable copper halide clusters and lanthanide-organic motifs","CrystEngComm","2012","14","18","5974","","10.1039/c2ce25214g","","","0.71073","MoKα","","0.115","0.062","","","0.1116","0.1268","","","","","","1.062","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214673","9.8237","0.0017","32.797","0.006","12.751","0.002","90","","90","","90","","4108.2","1.2","296","2","296","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C13 H16 Br2 Cu2 Er N2 O10 -","- C13 H8 Br2 Cu2 Er N2 O10 -","- C104 H64 Br16 Cu16 Er8 N16 O80 -","8","1","","Peng, Guo; Liu, Zhihui; Ma, Li; Liang, Li; Zhang, Limin; Kostakis, George. E; Deng, Hong","A series of 3d‒4f heterometallic coordination polymers constructed from size-tunable copper halide clusters and lanthanide-organic motifs","CrystEngComm","2012","14","18","5974","","10.1039/c2ce25214g","","","0.71073","MoKα","","0.1221","0.0868","","","0.1879","0.2021","","","","","","1.248","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214674","18.034","0.002","15.374","0.002","7.5997","0.001","90","","94.181","0.001","90","","2101.4","0.5","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 Br3 Cu3 N2 O7 Tb -","- C14 H11 Br3 Cu3 N2 O7 Tb -","- C56 H44 Br12 Cu12 N8 O28 Tb4 -","4","1","","Peng, Guo; Liu, Zhihui; Ma, Li; Liang, Li; Zhang, Limin; Kostakis, George. E; Deng, Hong","A series of 3d‒4f heterometallic coordination polymers constructed from size-tunable copper halide clusters and lanthanide-organic motifs","CrystEngComm","2012","14","18","5974","","10.1039/c2ce25214g","","","0.71073","MoKα","","0.08","0.0714","","","0.1971","0.2016","","","","","","1.116","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214675","16.4842","0.0017","9.8497","0.001","17.499","0.0018","90","","100.952","0.002","90","","2789.5","0.5","100","2","100","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C36 H32 Br7 Cu7 Er2 N6 O16 -","- C36 H24 Br7.0002 Cu7 Er2 N6 O16 -","- C72 H48 Br14.0004 Cu14 Er4 N12 O32 -","2","0.5","","Peng, Guo; Liu, Zhihui; Ma, Li; Liang, Li; Zhang, Limin; Kostakis, George. E; Deng, Hong","A series of 3d‒4f heterometallic coordination polymers constructed from size-tunable copper halide clusters and lanthanide-organic motifs","CrystEngComm","2012","14","18","5974","","10.1039/c2ce25214g","","","0.71073","MoKα","","0.1029","0.052","","","0.1389","0.1626","","","","","","1.022","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7214676","9.5388","0.0011","12.6589","0.0014","21.4","0.002","90","","98.539","0.001","90","","2555.4","0.5","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Cl3 Cu3 Gd N3 O9 -","- C18 H12 Cl3 Cu3 Gd N3 O9 -","- C72 H48 Cl12 Cu12 Gd4 N12 O36 -","4","1","","Peng, Guo; Liu, Zhihui; Ma, Li; Liang, Li; Zhang, Limin; Kostakis, George. E; Deng, Hong","A series of 3d‒4f heterometallic coordination polymers constructed from size-tunable copper halide clusters and lanthanide-organic motifs","CrystEngComm","2012","14","18","5974","","10.1039/c2ce25214g","","","0.71073","MoKα","","0.0601","0.0433","","","0.0991","0.1084","","","","","","1.035","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214677","6.4001","0.0003","17.2148","0.0009","18.6406","0.0009","90","","90","","90","","2053.75","0.18","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H16 Cd3 O20 -","- C12 H16 Cd3 O20 -","- C48 H64 Cd12 O80 -","4","1","","Vera-Cruz, Paula; Toscano, Rubén A.; Balmaseda, Jorge; Basterrechea, Mario; Niño, Netzahualcoyotl; Felipe del Castillo, Luis","Synthesis and crystal structure of three new cadmium tartrates with open frameworks","CrystEngComm","2012","14","24","8606","","10.1039/c2ce26312b","","","0.71073","MoKα","","0.0177","0.0174","","","0.04","0.0402","","","","","","1.058","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214678","13.7005","0.0014","15.6523","0.0016","9.4417","0.001","90","","90","","90","","2024.7","0.4","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C16 H42 Cd6 O39 -","- C16 H42 Cd6 O39 -","- C32 H84 Cd12 O78 -","2","0.5","","Vera-Cruz, Paula; Toscano, Rubén A.; Balmaseda, Jorge; Basterrechea, Mario; Niño, Netzahualcoyotl; Felipe del Castillo, Luis","Synthesis and crystal structure of three new cadmium tartrates with open frameworks","CrystEngComm","2012","14","24","8606","","10.1039/c2ce26312b","","","0.71073","MoKα","","0.0472","0.0431","","","0.0935","0.095","","","","","","1.054","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214679","7.6393","0.0008","11.5121","0.0012","9.0174","0.001","90","","99.305","0.001","90","","782.59","0.14","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H16 Cd2 O16 -","- C8 H16 Cd2 O16 -","- C16 H32 Cd4 O32 -","2","1","","Vera-Cruz, Paula; Toscano, Rubén A.; Balmaseda, Jorge; Basterrechea, Mario; Niño, Netzahualcoyotl; Felipe del Castillo, Luis","Synthesis and crystal structure of three new cadmium tartrates with open frameworks","CrystEngComm","2012","14","24","8606","","10.1039/c2ce26312b","","","0.71073","MoKα","","0.0197","0.0184","","","0.0414","0.042","","","","","","1.013","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214680","5.3463","0.0002","11.3075","0.0005","19.94","0.001","90","","98.087","0.003","90","","1193.45","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Picolinamide","","- C6 H6 N2 O -","- C6 H6 N2 O -","- C48 H48 N16 O8 -","8","2","","Évora, António O. L.; Castro, Ricardo A. E.; Maria, Teresa M. R.; Rosado, Mário T. S.; Silva, M. Ramos; Canotilho, João; Eusébio, M. Ermelinda S.","Resolved structures of two picolinamide polymorphs. Investigation of the dimorphic system behaviour under conditions relevant to co-crystal synthesis","CrystEngComm","2012","14","24","8649","","10.1039/c2ce26244d","","","0.71073","MoKα","","0.1098","0.0461","","","0.1014","0.1285","","","","","","0.966","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214681","5.1973","0.0003","7.085","0.0004","16.4114","0.001","90","","101.233","0.004","90","","592.74","0.06","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","α - picolinamide","","- C6 H6 N2 O -","- C6 H6 N2 O -","- C24 H24 N8 O4 -","4","1","","Évora, António O. L.; Castro, Ricardo A. E.; Maria, Teresa M. R.; Rosado, Mário T. S.; Silva, M. Ramos; Canotilho, João; Eusébio, M. Ermelinda S.","Resolved structures of two picolinamide polymorphs. Investigation of the dimorphic system behaviour under conditions relevant to co-crystal synthesis","CrystEngComm","2012","14","24","8649","","10.1039/c2ce26244d","","","0.71073","MoKα","","0.0524","0.0376","","","0.0896","0.0968","","","","","","1.072","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214682","5.2831","0.0004","11.2901","0.0009","19.8654","0.0017","90","","98.2809","0.0017","90","","1172.55","0.16","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Picolinamide","","- C6 H6 N2 O -","- C6 H6 N2 O -","- C48 H48 N16 O8 -","8","2","","Évora, António O. L.; Castro, Ricardo A. E.; Maria, Teresa M. R.; Rosado, Mário T. S.; Silva, M. Ramos; Canotilho, João; Eusébio, M. Ermelinda S.","Resolved structures of two picolinamide polymorphs. Investigation of the dimorphic system behaviour under conditions relevant to co-crystal synthesis","CrystEngComm","2012","14","24","8649","","10.1039/c2ce26244d","","","0.71073","MoKα","","0.0485","0.0361","","","0.0876","0.094","","","","","","1.024","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214683","5.1578","0.0004","7.0249","0.0005","16.2192","0.0011","90","","100.728","0.005","90","","577.4","0.07","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","α - picolinamide","","- C6 H6 N2 O -","- C6 H6 N2 O -","- C24 H24 N8 O4 -","4","1","","Évora, António O. L.; Castro, Ricardo A. E.; Maria, Teresa M. R.; Rosado, Mário T. S.; Silva, M. Ramos; Canotilho, João; Eusébio, M. Ermelinda S.","Resolved structures of two picolinamide polymorphs. Investigation of the dimorphic system behaviour under conditions relevant to co-crystal synthesis","CrystEngComm","2012","14","24","8649","","10.1039/c2ce26244d","","","0.71073","MoKα","","0.0535","0.0384","","","0.0896","0.0985","","","","","","1.042","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214684","30.4423","0.0012","12.394","0.0004","21.4045","0.0008","90","","128.822","0.001","90","","6292","0.4","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C54 H80 N26 O28 -","- C54 H80 N26 O28 -","- C216 H320 N104 O112 -","4","0.5","","Sun, Xuzhuo; Li, Bo; Xia, Chunlan; Zhou, Xiaohai; Zhang, Haibo","“Liquid-like” type (COO−)2(H2O)10 anion water clusters in three-dimensional supramolecular structure of cucurbit[6]uril","CrystEngComm","2012","14","24","8525","","10.1039/c2ce25444a","","","0.71073","MoKα","","0.0789","0.0635","","","0.1831","0.1949","","","","","","1.042","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214685","20.512","0.005","9.9435","0.0019","26.994","0.005","90","","101.945","0.011","90","","5387","2","200","","200","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(Co(L)(PIN))-dioxane-H2O","[Co(L)(PIN)]-dioxane-H2O","","- C28 H26 Co N4 O8 -","- C27.998 H25.996 Co N4 O7.999 -","- C223.984 H207.968 Co8 N32 O63.992 -","8","1","","Hou, Chao; Liu, Qing; Okamura, Taka-aki; Wang, Peng; Sun, Wei-Yin","Dynamic porous metal‒organic frameworks: synthesis, structure and sorption property","CrystEngComm","2012","14","24","8569","","10.1039/c2ce26533h","","","0.71075","MoKα","","0.0523","0.0435","","","0.1019","0.1058","","","","","","1.052","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214686","20.57","0.004","9.901","0.002","27.211","0.008","90","","108.526","0.009","90","","5255","2","200","","200","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(Co(L)(DPE))-1/2(DPE)","[Co(L)(DPE)]-1/2(DPE)","","- C31 H22 Co N4 O4 -","- C31 H22 Co N4 O4 -","- C248 H176 Co8 N32 O32 -","8","1","","Hou, Chao; Liu, Qing; Okamura, Taka-aki; Wang, Peng; Sun, Wei-Yin","Dynamic porous metal‒organic frameworks: synthesis, structure and sorption property","CrystEngComm","2012","14","24","8569","","10.1039/c2ce26533h","","","0.71075","MoKα","","0.0527","0.0438","","","0.1126","0.117","","","","","","1.077","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214687","52.349","0.008","20.421","0.004","9.9111","0.0015","90","","90","","90","","10595","3","200","","200","","","","","","","","","5","F d d 2","F 2 -2d","43","(Co(L)(BPE))-4(H2O)","[Co(L)(BPE)]-4(H2O)","","- C25 H27 Co N3 O8 -","- C25 H19 Co N3 O8.001 -","- C400 H304 Co16 N48 O128.016 -","16","1","","Hou, Chao; Liu, Qing; Okamura, Taka-aki; Wang, Peng; Sun, Wei-Yin","Dynamic porous metal‒organic frameworks: synthesis, structure and sorption property","CrystEngComm","2012","14","24","8569","","10.1039/c2ce26533h","","","0.71075","MoKα","","0.037","0.0341","","","0.0879","0.0889","","","","","","1.077","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214688","23.7772","0.0014","6.8025","0.0004","13.4175","0.0008","90","","104.907","0.001","90","","2097.2","0.2","115","2","115","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 O5 -","- C26 H26 O5 -","- C104 H104 O20 -","4","1","","Iwase, Noriaki; Kobayashi, Yuhei; Kinuta, Takafumi; Sato, Tomohiro; Tajima, Nobuo; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Solid-state visible molecular recognition system of bisphenol A and its derivatives by solid co-grinding crystallization with benzoquinone","CrystEngComm","2012","14","24","8599","","10.1039/c2ce26148k","","","0.71073","MoKα","","0.0698","0.0619","","","0.1558","0.1624","","","","","","1.067","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214689","8.712","0.0007","10.1166","0.0008","10.2478","0.0008","90.241","0.001","107.133","0.001","92.433","0.001","862.21","0.12","115","2","115","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H24 O3 -","- C21 H24 O3 -","- C42 H48 O6 -","2","1","","Iwase, Noriaki; Kobayashi, Yuhei; Kinuta, Takafumi; Sato, Tomohiro; Tajima, Nobuo; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Solid-state visible molecular recognition system of bisphenol A and its derivatives by solid co-grinding crystallization with benzoquinone","CrystEngComm","2012","14","24","8599","","10.1039/c2ce26148k","","","0.71073","MoKα","","0.049","0.0443","","","0.1177","0.1215","","","","","","1.053","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214690","11.1508","0.0007","7.3171","0.0005","24.5176","0.0016","90","","90","","90","","2000.4","0.2","115","2","115","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C23 H18 F6 O4 -","- C23 H18 F6 O4 -","- C92 H72 F24 O16 -","4","0.5","","Iwase, Noriaki; Kobayashi, Yuhei; Kinuta, Takafumi; Sato, Tomohiro; Tajima, Nobuo; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Solid-state visible molecular recognition system of bisphenol A and its derivatives by solid co-grinding crystallization with benzoquinone","CrystEngComm","2012","14","24","8599","","10.1039/c2ce26148k","","","0.71073","MoKα","","0.0436","0.0383","","","0.0981","0.1017","","","","","","1.051","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214691","11.2984","0.001","7.2275","0.0006","24.573","0.002","90","","90","","90","","2006.6","0.3","115","2","115","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22 H15 Cl F6 O4 -","- C22 H15 Cl F6 O4 -","- C88 H60 Cl4 F24 O16 -","4","0.5","","Iwase, Noriaki; Kobayashi, Yuhei; Kinuta, Takafumi; Sato, Tomohiro; Tajima, Nobuo; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Solid-state visible molecular recognition system of bisphenol A and its derivatives by solid co-grinding crystallization with benzoquinone","CrystEngComm","2012","14","24","8599","","10.1039/c2ce26148k","","","0.71073","MoKα","","0.0475","0.0432","","","0.1037","0.1063","","","","","","1.089","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214692","15.209","0.007","15.992","0.008","18.104","0.009","74.828","0.007","74.684","0.007","66.386","0.007","3830","3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C144 H104 Al Cl4 Cu9 N24 O44 W12 -","- C144 H96 Al Cl4 Cu9 N24 O44 W12 -","- C144 H96 Al Cl4 Cu9 N24 O44 W12 -","1","0.5","","Xiao, Li-Na; Hu, Yang-Yang; Wang, La-Mei; Wang, Yan; Xu, Jia-Ning; Ding, Hong; Cui, Xiao-Bing; Xu, Ji-Qing","New compounds based on polyoxometalates and metal halide clusters","CrystEngComm","2012","14","24","8589","","10.1039/c2ce26254a","","","0.71073","MoKα","","0.1872","0.1136","","","0.2784","0.3242","","","","","","1.047","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214693","15.261","0.003","16.096","0.003","18.167","0.004","74.56","0.03","74.7","0.03","66.06","0.03","3869.5","1.7","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C144 H112 B Br4 Cu9 N24 O48 W12 -","- C144 H96 B Br4 Cu9 N24 O48 W12 -","- C144 H96 B Br4 Cu9 N24 O48 W12 -","1","0.5","","Xiao, Li-Na; Hu, Yang-Yang; Wang, La-Mei; Wang, Yan; Xu, Jia-Ning; Ding, Hong; Cui, Xiao-Bing; Xu, Ji-Qing","New compounds based on polyoxometalates and metal halide clusters","CrystEngComm","2012","14","24","8589","","10.1039/c2ce26254a","","","0.71073","MoKα","","0.0827","0.0612","","","0.15","0.1608","","","","","","1.088","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214694","15.2519","0.0015","16.1068","0.0016","18.1966","0.0018","74.531","0.001","74.733","0.001","66.33","0.001","3883.5","0.7","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C144 H108 Al Br4 Cu9 N24 O46 W12 -","- C144 H96 Al Br4 Cu9 N24 O46 W12 -","- C144 H96 Al Br4 Cu9 N24 O46 W12 -","1","0.5","","Xiao, Li-Na; Hu, Yang-Yang; Wang, La-Mei; Wang, Yan; Xu, Jia-Ning; Ding, Hong; Cui, Xiao-Bing; Xu, Ji-Qing","New compounds based on polyoxometalates and metal halide clusters","CrystEngComm","2012","14","24","8589","","10.1039/c2ce26254a","","","0.71073","MoKα","","0.1166","0.0652","","","0.1589","0.1887","","","","","","1.095","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214695","15.2219","0.0015","16.0271","0.0016","18.164","0.0019","74.681","0.002","74.614","0.002","66.136","0.001","3844.9","0.7","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C144 H104 Br4 Cu9 N24 O44 P W12 -","- C144 H96 Br4 Cu9 N24 O44 P W12 -","- C144 H96 Br4 Cu9 N24 O44 P W12 -","1","0.5","","Xiao, Li-Na; Hu, Yang-Yang; Wang, La-Mei; Wang, Yan; Xu, Jia-Ning; Ding, Hong; Cui, Xiao-Bing; Xu, Ji-Qing","New compounds based on polyoxometalates and metal halide clusters","CrystEngComm","2012","14","24","8589","","10.1039/c2ce26254a","","","0.71073","MoKα","","0.1013","0.06","","","0.1583","0.1807","","","","","","1.05","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214696","15.621","0.004","17.01","0.004","18.068","0.005","63.185","0.004","67.472","0.004","76.774","0.004","3948.6","1.8","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C144 H102 B Cu8 I3 N24 O43 W12 -","- C144 H96 B Cu8 I3 N24 O43 W12 -","- C144 H96 B Cu8 I3 N24 O43 W12 -","1","0.5","","Xiao, Li-Na; Hu, Yang-Yang; Wang, La-Mei; Wang, Yan; Xu, Jia-Ning; Ding, Hong; Cui, Xiao-Bing; Xu, Ji-Qing","New compounds based on polyoxometalates and metal halide clusters","CrystEngComm","2012","14","24","8589","","10.1039/c2ce26254a","","","0.71073","MoKα","","0.1988","0.0884","","","0.1929","0.2553","","","","","","1.05","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214697","15.705","0.003","17.062","0.003","18.009","0.004","63.48","0.03","67.83","0.03","77.24","0.03","3990.7","1.9","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C144 H102 Cu8 I3 N24 O43 P W12 -","- C144 H96 Cu8 I3 N24 O43 P W12 -","- C144 H96 Cu8 I3 N24 O43 P W12 -","1","0.5","","Xiao, Li-Na; Hu, Yang-Yang; Wang, La-Mei; Wang, Yan; Xu, Jia-Ning; Ding, Hong; Cui, Xiao-Bing; Xu, Ji-Qing","New compounds based on polyoxometalates and metal halide clusters","CrystEngComm","2012","14","24","8589","","10.1039/c2ce26254a","","","0.71073","MoKα","","0.1565","0.0925","","","0.2472","0.2993","","","","","","1.053","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214698","14.917","0.003","16.481","0.003","17.669","0.003","84.39","0.03","83.8","0.03","65.04","0.03","3908.6","1.6","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C144 H96 Cl7 Cu13 N24 O40 P W12 -","- C144 H96 Cl7 Cu13 N24 O40 P W12 -","- C144 H96 Cl7 Cu13 N24 O40 P W12 -","1","0.5","","Xiao, Li-Na; Hu, Yang-Yang; Wang, La-Mei; Wang, Yan; Xu, Jia-Ning; Ding, Hong; Cui, Xiao-Bing; Xu, Ji-Qing","New compounds based on polyoxometalates and metal halide clusters","CrystEngComm","2012","14","24","8589","","10.1039/c2ce26254a","","","0.71073","MoKα","","0.1443","0.0935","","","0.2589","0.3003","","","","","","1.062","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214699","3.7358","0.0007","38.823","0.008","16.826","0.004","90","","95.27","0.03","90","","2430","0.9","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H8 Cl2 Cu2 N2 -","- C12 H8 Cl2 Cu2 N2 -","- C96 H64 Cl16 Cu16 N16 -","8","2","","Xiao, Li-Na; Hu, Yang-Yang; Wang, La-Mei; Wang, Yan; Xu, Jia-Ning; Ding, Hong; Cui, Xiao-Bing; Xu, Ji-Qing","New compounds based on polyoxometalates and metal halide clusters","CrystEngComm","2012","14","24","8589","","10.1039/c2ce26254a","","","0.71073","MoKα","","0.1266","0.0551","","","0.1113","0.1459","","","","","","1.082","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214700","10.679","0.002","9.667","0.0019","14.845","0.003","90","","106.97","0.03","90","","1465.8","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1:1 ethenzamide and salicylic acid cocrystal","cocrystal of ethenzamide with salicylic acid","","- C16 H17 N O5 -","- C16 H17 N O5 -","- C64 H68 N4 O20 -","4","1","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Pharmaceutical cocrystals of ethenzamide: structural, solubility and dissolution studies","CrystEngComm","2012","14","24","8515","","10.1039/c2ce26325d","","","0.71073","MoKα","","0.0845","0.0731","","","0.1845","0.195","","","","","","1.176","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214701","7.7402","0.0015","8.3181","0.0017","13.216","0.003","76.02","0.03","79.85","0.03","84.69","0.03","811.7","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","1:1 cocrystal of ethenzamide and 2-chloro-4-nitrobenzoic acid","1:1 cocrystal of ethenzamide and 2-chloro-4-nitrobenzoic acid","","- C16 H15 Cl N2 O6 -","- C16 H15 Cl N2 O6 -","- C32 H30 Cl2 N4 O12 -","2","1","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Pharmaceutical cocrystals of ethenzamide: structural, solubility and dissolution studies","CrystEngComm","2012","14","24","8515","","10.1039/c2ce26325d","","","0.71073","MoKα","","0.072","0.0632","","","0.1588","0.166","","","","","","1.176","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214702","13.774","0.003","14.911","0.003","8.0828","0.0016","90","","102.87","0.03","90","","1618.4","0.6","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1:1 ethenzamide and vanillic acid cocrystal","cocrystal of ethenzamide with vanillic acid","","- C17 H19 N O6 -","- C17 H19 N O6 -","- C68 H76 N4 O24 -","4","1","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Pharmaceutical cocrystals of ethenzamide: structural, solubility and dissolution studies","CrystEngComm","2012","14","24","8515","","10.1039/c2ce26325d","","","0.71073","MoKα","","0.0832","0.0737","","","0.1786","0.1861","","","","","","1.199","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214703","9.057","0.0018","32.685","0.007","8.1857","0.0016","90","","93.39","0.03","90","","2419","0.9","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2:1 ethenzamide and 4-aminobenzoic acid cocrystal","2:1 ethenzamide and 4-aminobenzoic acid cocrystal","","- C25 H29 N3 O6 -","- C25 H29 N3 O6 -","- C100 H116 N12 O24 -","4","1","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Pharmaceutical cocrystals of ethenzamide: structural, solubility and dissolution studies","CrystEngComm","2012","14","24","8515","","10.1039/c2ce26325d","","","0.71073","MoKα","","0.1159","0.0864","","","0.179","0.1969","","","","","","1.192","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214704","9.4871","0.0019","6.4682","0.0013","23.703","0.005","90","","98.65","0.03","90","","1438","0.5","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1:1 ethenzamide and 4-hydroxybenzoic acid","cocrystal of ethenzamide with 4-hydroxybenzoic acid","","- C16 H17 N O5 -","- C16 H17 N O5 -","- C64 H68 N4 O20 -","4","1","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Pharmaceutical cocrystals of ethenzamide: structural, solubility and dissolution studies","CrystEngComm","2012","14","24","8515","","10.1039/c2ce26325d","","","0.71073","MoKα","","0.0683","0.0598","","","0.1481","0.155","","","","","","1.123","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214705","8.2154","0.0016","8.4654","0.0017","9.3991","0.0019","70.3","0.03","71.82","0.03","65.97","0.03","550.4","0.2","110","2","110","2","","","","","","","","4","P -1","-P 1","2","1:0.5 ethenzamide and fumaric acid cocrystal","cocrystal of ethenzamide with fumaric acid","","- C11 H13 N O4 -","- C11 H13 N O4 -","- C22 H26 N2 O8 -","2","1","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Pharmaceutical cocrystals of ethenzamide: structural, solubility and dissolution studies","CrystEngComm","2012","14","24","8515","","10.1039/c2ce26325d","","","0.71073","MoKα","","0.0827","0.0763","","","0.1899","0.196","","","","","","1.154","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214706","9.731","0.0019","11.7","0.002","13.496","0.003","77.46","0.03","81.25","0.03","68.07","0.03","1387.1","0.6","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H50 Ag2 N8 O6 S2 -","- C64 H50 Ag2 N8 O6 S2 -","- C64 H50 Ag2 N8 O6 S2 -","1","0.5","","Jin, Feng; Yang, Xiao-Fei; Li, Sheng-Li; Zheng, Zheng; Yu, Zhi-Peng; Kong, Lin; Hao, Fu-Ying; Yang, Jia-Xiang; Wu, Jie-Ying; Tian, Yu-Peng; Zhou, Hong-Ping","Role of anions in preparing silver(i) complexes with a new multidentate ligand: polymorphs, structures and nonlinear optical properties","CrystEngComm","2012","14","24","8409","","10.1039/c2ce26145f","","","0.71069","MoKα","","0.0309","0.0263","","","0.0626","0.0653","","","","","","1.042","","","","has coordinates,has disorder","180478","2020-10-21","18:00:00",""
"7214707","11.09","0.002","7.422","0.003","22.999","0.002","90","","92.998","0.004","90","","1890.5","0.9","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H18 N4 -","- C25 H18 N4 -","- C100 H72 N16 -","4","2","","Jin, Feng; Yang, Xiao-Fei; Li, Sheng-Li; Zheng, Zheng; Yu, Zhi-Peng; Kong, Lin; Hao, Fu-Ying; Yang, Jia-Xiang; Wu, Jie-Ying; Tian, Yu-Peng; Zhou, Hong-Ping","Role of anions in preparing silver(i) complexes with a new multidentate ligand: polymorphs, structures and nonlinear optical properties","CrystEngComm","2012","14","24","8409","","10.1039/c2ce26145f","","","0.71073","MoKα","","0.0702","0.043","","","0.0938","0.1164","","","","","","1.023","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214708","19.434","0.005","5.479","0.005","17.999","0.005","90","0.005","92.686","0.005","90","0.005","1914.4","1.9","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 N4 -","- C25 H18 N4 -","- C100 H72 N16 -","4","1","","Jin, Feng; Yang, Xiao-Fei; Li, Sheng-Li; Zheng, Zheng; Yu, Zhi-Peng; Kong, Lin; Hao, Fu-Ying; Yang, Jia-Xiang; Wu, Jie-Ying; Tian, Yu-Peng; Zhou, Hong-Ping","Role of anions in preparing silver(i) complexes with a new multidentate ligand: polymorphs, structures and nonlinear optical properties","CrystEngComm","2012","14","24","8409","","10.1039/c2ce26145f","","","0.71069","MoKα","","0.0597","0.0462","","","0.1432","0.1668","","","","","","1.059","","","","has coordinates,has disorder","180478","2020-10-21","18:00:00",""
"7214709","16.667","0.005","22.086","0.005","14.712","0.005","90","0.005","119.395","0.005","90","0.005","4718","2","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H36 Ag2 Cl2 N8 O8 -","- C50 H36 Ag2 Cl2 N8 O8 -","- C200 H144 Ag8 Cl8 N32 O32 -","4","0.5","","Jin, Feng; Yang, Xiao-Fei; Li, Sheng-Li; Zheng, Zheng; Yu, Zhi-Peng; Kong, Lin; Hao, Fu-Ying; Yang, Jia-Xiang; Wu, Jie-Ying; Tian, Yu-Peng; Zhou, Hong-Ping","Role of anions in preparing silver(i) complexes with a new multidentate ligand: polymorphs, structures and nonlinear optical properties","CrystEngComm","2012","14","24","8409","","10.1039/c2ce26145f","","","0.71069","MoKα","","0.1095","0.0435","","","0.0839","0.1078","","","","","","0.998","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214710","12.745","0.005","13.971","0.005","21.091","0.005","101.276","0.005","93.521","0.005","114.371","0.005","3312.1","1.9","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C150 H108 Ag4 N28 O16 -","- C150 H108 Ag4 N28 O16 -","- C150 H108 Ag4 N28 O16 -","1","0.5","","Jin, Feng; Yang, Xiao-Fei; Li, Sheng-Li; Zheng, Zheng; Yu, Zhi-Peng; Kong, Lin; Hao, Fu-Ying; Yang, Jia-Xiang; Wu, Jie-Ying; Tian, Yu-Peng; Zhou, Hong-Ping","Role of anions in preparing silver(i) complexes with a new multidentate ligand: polymorphs, structures and nonlinear optical properties","CrystEngComm","2012","14","24","8409","","10.1039/c2ce26145f","","","0.71069","MoKα","","0.1054","0.0574","","","0.157","0.1886","","","","","","1.038","","","","has coordinates,has disorder","180478","2020-10-21","18:00:00",""
"7214711","16.2938","0.0004","16.3581","0.0003","16.329","0.0004","90","","90","","90","","4352.26","0.17","100","2","100","2","","","","","","","","6","P m n 21","P 2ac -2","31","","","","- C31 H106 N Na5 O55 P4 -","- C31 H105.98 N Na5 O55 P4 -","- C62 H211.96 N2 Na10 O110 P8 -","2","0.5","","Ling, Irene; Iyer, K. Swaminathan; Bond, Charles S.; Sobolev, Alexandre N.; Alias, Yatimah; Raston, Colin L.","Sodium ion association via bridging water molecules for different charged p-phosphonated calix[4]arene bilayers","CrystEngComm","2012","14","24","8541","","10.1039/c2ce26207j","","","0.71073","MoKα","","0.0875","0.0749","","","0.2006","0.2066","","","","","","1.005","","","","has coordinates,has disorder","180478","2020-10-21","18:00:00",""
"7214712","16.1842","0.0004","16.1842","","31.2772","0.0007","90","","90","","90","","8192.4","0.3","100","2","100","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C41 H115 N4 Na9 O56 P4 -","- C41 H115 N4 Na9 O56 P4 -","- C164 H460 N16 Na36 O224 P16 -","4","0.25","","Ling, Irene; Iyer, K. Swaminathan; Bond, Charles S.; Sobolev, Alexandre N.; Alias, Yatimah; Raston, Colin L.","Sodium ion association via bridging water molecules for different charged p-phosphonated calix[4]arene bilayers","CrystEngComm","2012","14","24","8541","","10.1039/c2ce26207j","","","0.71073","MoKα","","0.1222","0.0475","","","0.0966","0.104","","","","","","1.005","","","","has coordinates,has disorder","180478","2020-10-21","18:00:00",""
"7214713","14.8815","0.0004","33.7011","0.001","9.4872","0.0002","90","","90","","90","","4758","0.2","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","α-cyclodextrin hexahydrate","cyclohexaamylose hexahydrate, cyclomaltohexaose hexahydrate","","- C36 H72 O36 -","- C36 H72 O36 -","- C144 H288 O144 -","4","1","","Granero-García, Rubén; Lahoz, Fernando J.; Paulmann, Carsten; Saouane, Sofiane; Fabbiani, Francesca P. A.","A novel hydrate of α-cyclodextrin crystallised under high-pressure conditions","CrystEngComm","2012","14","24","8664","","10.1039/c2ce26362a","","","0.71073","MoKα","","0.0749","0.0498","","","0.1101","0.1245","","","","","","1.023","","","","has coordinates,has disorder","180478","2020-10-21","18:00:00",""
"7214714","14.657","0.005","34.253","0.014","9.217","0.004","90","","90","","90","","4627","3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","α-cyclodextrin 6.8-hydrate","cyclohexaamylose 6.8-hydrate, cyclomaltohexaose 6.8-hydrate","","- C36 H73.6 O36.8 -","- C36 H70 O36.8 -","- C144 H280 O147.2 -","4","1","","Granero-García, Rubén; Lahoz, Fernando J.; Paulmann, Carsten; Saouane, Sofiane; Fabbiani, Francesca P. A.","A novel hydrate of α-cyclodextrin crystallised under high-pressure conditions","CrystEngComm","2012","14","24","8664","","10.1039/c2ce26362a","","","0.5","synchrotron","","0.0976","0.0688","","","0.1606","0.1799","","","","","","1.056","","","","has coordinates,has disorder","180478","2020-10-21","18:00:00",""
"7214715","9.2","0.003","9.208","0.003","9.269","0.003","77.953","0.008","86.586","0.011","88.716","0.01","766.5","0.4","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C4 H10.5 Al3 N O14 P3 -","- C4 H10.5 Al3 N O14 P3 -","- C8 H21 Al6 N2 O28 P6 -","2","1","","Wu, Jinxiong; Zhao, Huiru; Li, Niu; Luo, Qianqian; He, Chunqian; Guan, Naijia; Xiang, Shouhe","Fluorine-free crystallization of triclinic AlPO4-34","CrystEngComm","2012","14","24","8671","","10.1039/c2ce26335a","","","0.71073","MoKα","","0.035","0.0275","","","0.0827","0.0842","","","","","","1.029","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214716","12.494","0.0006","7.5099","0.0004","22.6355","0.0011","90","","90","","90","","2123.86","0.18","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C6 H10 Cl2 Cu N4 O2 -","- C6 H10 Cl2 Cu N4 O2 -","- C48 H80 Cl16 Cu8 N32 O16 -","8","1","","Mirzaei, M.; Eshtiagh-Hosseini, H.; Chahkandi, M.; Alfi, N.; Shokrollahi, A.; Shokrollahi, N.; Janiak, A.","Comprehensive studies of non-covalent interactions within four new Cu(ii) supramolecules","CrystEngComm","2012","14","24","8468","","10.1039/c2ce26442k","","","0.71073","MoKα","","0.0558","0.0302","","","0.0601","0.0626","","","","","","0.848","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214717","10.0366","0.0007","9.1255","0.0007","10.2985","0.0007","90","","95.832","0.005","90","","938.35","0.12","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 Cu N3 O4 -","- C8 H7 Cu N3 O4 -","- C32 H28 Cu4 N12 O16 -","4","1","","Mirzaei, M.; Eshtiagh-Hosseini, H.; Chahkandi, M.; Alfi, N.; Shokrollahi, A.; Shokrollahi, N.; Janiak, A.","Comprehensive studies of non-covalent interactions within four new Cu(ii) supramolecules","CrystEngComm","2012","14","24","8468","","10.1039/c2ce26442k","","","1.54184","CU-Kα","","0.033","0.031","","","0.083","0.084","","","","","","1.068","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214718","9.9258","0.0002","12.0698","0.0003","20.1039","0.0006","90","","97.815","0.003","90","","2386.13","0.11","294","0.1","294","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 Cu N6 O6 -","- C22 H20 Cu N6 O6 -","- C88 H80 Cu4 N24 O24 -","4","1","","Mirzaei, M.; Eshtiagh-Hosseini, H.; Chahkandi, M.; Alfi, N.; Shokrollahi, A.; Shokrollahi, N.; Janiak, A.","Comprehensive studies of non-covalent interactions within four new Cu(ii) supramolecules","CrystEngComm","2012","14","24","8468","","10.1039/c2ce26442k","","","0.71073","MoKα","","0.0919","0.0508","","","0.096","0.1092","","","","","","1.031","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214719","7.6075","0.0002","9.9472","0.0004","20.8858","0.0008","81.235","0.003","82.268","0.003","72.818","0.003","1485.61","0.09","295.5","0.1","295.5","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C58 H54 Cu N12 O18 -","- C58 H54 Cu N12 O18 -","- C58 H54 Cu N12 O18 -","1","0.5","","Mirzaei, M.; Eshtiagh-Hosseini, H.; Chahkandi, M.; Alfi, N.; Shokrollahi, A.; Shokrollahi, N.; Janiak, A.","Comprehensive studies of non-covalent interactions within four new Cu(ii) supramolecules","CrystEngComm","2012","14","24","8468","","10.1039/c2ce26442k","","","0.71073","MoKα","","0.044","0.0374","","","0.0991","0.1032","","","","","","1.052","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214720","8.388","0.002","9.738","0.002","9.873","0.003","108.791","0.004","104.892","0.003","107.59","0.003","669.3","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 N4 O8 Zn -","- C30 H24 N4 O8 Zn -","- C30 H24 N4 O8 Zn -","1","0.5","","Qin, Jie; Qin, Na; Geng, Cui-Hong; Ma, Jian-Ping; Liu, Qi-Kui; Wu, Dan; Zhao, Chao-Wei; Dong, Yu-Bin","Coordination polymer-templated photoinduced [2 + 2] dimerization of pyridine-based derivative","CrystEngComm","2012","14","24","8499","","10.1039/c2ce25561h","","","0.71073","MoKα","","0.0489","0.0441","","","0.1101","0.1133","","","","","","1.07","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214721","6.8644","0.001","10.5393","0.0016","13.217","0.002","100.562","0.002","104.377","0.002","105.7","0.002","858.9","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H40 Co N6 O16 -","- C30 H40 Co N6 O16 -","- C30 H40 Co N6 O16 -","1","0.5","","Qin, Jie; Qin, Na; Geng, Cui-Hong; Ma, Jian-Ping; Liu, Qi-Kui; Wu, Dan; Zhao, Chao-Wei; Dong, Yu-Bin","Coordination polymer-templated photoinduced [2 + 2] dimerization of pyridine-based derivative","CrystEngComm","2012","14","24","8499","","10.1039/c2ce25561h","","","0.71073","MoKα","","0.034","0.0325","","","0.0847","0.0857","","","","","","1.048","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214722","9.913","0.002","19.061","0.004","17.668","0.004","90","","90","","90","","3338.4","1.2","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C30 H38 Mn N6 O15 -","- C30 H38 Mn N6 O15 -","- C120 H152 Mn4 N24 O60 -","4","0.5","","Qin, Jie; Qin, Na; Geng, Cui-Hong; Ma, Jian-Ping; Liu, Qi-Kui; Wu, Dan; Zhao, Chao-Wei; Dong, Yu-Bin","Coordination polymer-templated photoinduced [2 + 2] dimerization of pyridine-based derivative","CrystEngComm","2012","14","24","8499","","10.1039/c2ce25561h","","","0.71073","MoKα","","0.0467","0.0366","","","0.087","0.0921","","","","","","1.068","","","","has coordinates,has disorder","180478","2020-10-21","18:00:00",""
"7214723","10.1093","0.0011","19.192","0.002","17.7243","0.0019","90","","90","","90","","3438.8","0.6","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C30 H38 Cd N6 O15 -","- C30 H38 Cd N6 O15 -","- C120 H152 Cd4 N24 O60 -","4","0.5","","Qin, Jie; Qin, Na; Geng, Cui-Hong; Ma, Jian-Ping; Liu, Qi-Kui; Wu, Dan; Zhao, Chao-Wei; Dong, Yu-Bin","Coordination polymer-templated photoinduced [2 + 2] dimerization of pyridine-based derivative","CrystEngComm","2012","14","24","8499","","10.1039/c2ce25561h","","","0.71073","MoKα","","0.0335","0.0274","","","0.065","0.0679","","","","","","1.032","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214724","8.3646","0.0015","9.7689","0.0018","9.8696","0.0018","108.832","0.002","104.851","0.002","107.612","0.002","669.2","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 Co N4 O8 -","- C30 H24 Co N4 O8 -","- C30 H24 Co N4 O8 -","1","0.5","","Qin, Jie; Qin, Na; Geng, Cui-Hong; Ma, Jian-Ping; Liu, Qi-Kui; Wu, Dan; Zhao, Chao-Wei; Dong, Yu-Bin","Coordination polymer-templated photoinduced [2 + 2] dimerization of pyridine-based derivative","CrystEngComm","2012","14","24","8499","","10.1039/c2ce25561h","","","0.71073","MoKα","","0.0383","0.0369","","","0.0981","0.0995","","","","","","1.087","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214725","8.4711","0.0014","9.7326","0.0015","9.8148","0.0016","107.072","0.002","104.858","0.002","107.854","0.002","680.83","0.19","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 Mn N4 O8 -","- C30 H24 Mn N4 O8 -","- C30 H24 Mn N4 O8 -","1","0.5","","Qin, Jie; Qin, Na; Geng, Cui-Hong; Ma, Jian-Ping; Liu, Qi-Kui; Wu, Dan; Zhao, Chao-Wei; Dong, Yu-Bin","Coordination polymer-templated photoinduced [2 + 2] dimerization of pyridine-based derivative","CrystEngComm","2012","14","24","8499","","10.1039/c2ce25561h","","","0.71073","MoKα","","0.0415","0.0394","","","0.1121","0.1141","","","","","","1.074","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214726","8.5836","0.0018","9.657","0.002","9.767","0.002","106.032","0.002","104.659","0.002","107.781","0.003","688.8","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 Cd N4 O8 -","- C30 H24 Cd N4 O8 -","- C30 H24 Cd N4 O8 -","1","0.5","","Qin, Jie; Qin, Na; Geng, Cui-Hong; Ma, Jian-Ping; Liu, Qi-Kui; Wu, Dan; Zhao, Chao-Wei; Dong, Yu-Bin","Coordination polymer-templated photoinduced [2 + 2] dimerization of pyridine-based derivative","CrystEngComm","2012","14","24","8499","","10.1039/c2ce25561h","","","0.71073","MoKα","","0.031","0.0303","","","0.0763","0.0767","","","","","","1.088","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214727","9.16","0.003","13.013","0.004","13.708","0.004","109.512","0.004","103.074","0.004","91.406","0.004","1491.3","0.8","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 N4 O8 Zn -","- C32 H28 N4 O8 Zn -","- C64 H56 N8 O16 Zn2 -","2","1","","Qin, Jie; Qin, Na; Geng, Cui-Hong; Ma, Jian-Ping; Liu, Qi-Kui; Wu, Dan; Zhao, Chao-Wei; Dong, Yu-Bin","Coordination polymer-templated photoinduced [2 + 2] dimerization of pyridine-based derivative","CrystEngComm","2012","14","24","8499","","10.1039/c2ce25561h","","","0.71073","MoKα","","0.0669","0.0529","","","0.1308","0.1404","","","","","","1.051","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214728","9.738","0.002","11.204","0.003","17.566","0.004","90","","102.186","0.003","90","","1873.3","0.8","173","2","173","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C32 H46.5 Co N4 O17.25 -","- C32 H46.5 Co N4 O17.25 -","- C64 H93 Co2 N8 O34.5 -","2","0.5","","Qin, Jie; Qin, Na; Geng, Cui-Hong; Ma, Jian-Ping; Liu, Qi-Kui; Wu, Dan; Zhao, Chao-Wei; Dong, Yu-Bin","Coordination polymer-templated photoinduced [2 + 2] dimerization of pyridine-based derivative","CrystEngComm","2012","14","24","8499","","10.1039/c2ce25561h","","","0.71073","MoKα","","0.0631","0.0498","","","0.1132","0.1192","","","","","","1.064","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214729","21.367","0.003","17.381","0.002","18.152","0.003","90","","110.306","0.002","90","","6322.3","1.6","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H36 Mn N4 O12 -","- C32 H36 Mn N4 O11.75 -","- C256 H288 Mn8 N32 O94 -","8","1","","Qin, Jie; Qin, Na; Geng, Cui-Hong; Ma, Jian-Ping; Liu, Qi-Kui; Wu, Dan; Zhao, Chao-Wei; Dong, Yu-Bin","Coordination polymer-templated photoinduced [2 + 2] dimerization of pyridine-based derivative","CrystEngComm","2012","14","24","8499","","10.1039/c2ce25561h","","","0.71073","MoKα","","0.0696","0.0484","","","0.1191","0.1297","","","","","","1.021","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214730","10.461","0.005","12.371","0.006","16.497","0.008","78.244","0.006","77.713","0.006","74.766","0.006","1987.8","1.7","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H44 Cd N5 O13 -","- C38 H44 Cd N5 O13 -","- C76 H88 Cd2 N10 O26 -","2","1","","Qin, Jie; Qin, Na; Geng, Cui-Hong; Ma, Jian-Ping; Liu, Qi-Kui; Wu, Dan; Zhao, Chao-Wei; Dong, Yu-Bin","Coordination polymer-templated photoinduced [2 + 2] dimerization of pyridine-based derivative","CrystEngComm","2012","14","24","8499","","10.1039/c2ce25561h","","","0.71073","MoKα","","0.0437","0.0386","","","0.0938","0.0973","","","","","","1.037","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214731","6.904","0.005","10.602","0.007","13.212","0.009","99.906","0.009","104.443","0.009","105.949","0.009","869.9","1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H40 N6 O16 Zn -","- C30 H40 N6 O16 Zn -","- C30 H40 N6 O16 Zn -","1","0.5","","Qin, Jie; Qin, Na; Geng, Cui-Hong; Ma, Jian-Ping; Liu, Qi-Kui; Wu, Dan; Zhao, Chao-Wei; Dong, Yu-Bin","Coordination polymer-templated photoinduced [2 + 2] dimerization of pyridine-based derivative","CrystEngComm","2012","14","24","8499","","10.1039/c2ce25561h","","","0.71073","MoKα","","0.0434","0.0384","","","0.0932","0.0962","","","","","","1.025","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214732","10.9016","0.0015","22.154","0.003","13.0426","0.0019","90","","103.073","0.006","90","","3068.3","0.7","200","","200","","","","","","","","","5","P 1 21 1","P 2yb","4","(Mn4(H2O)6(L2)(B1)2)-DMF-5(H2O)","[Mn4(H2O)6(L2)(B1)2]-DMF-5(H2O)","","- C52 H61 Mn4 N11 O28 -","- C52 H46 Mn4 N11 O28 -","- C104 H92 Mn8 N22 O56 -","2","1","","Chen, Min; Bai, Zheng-Shuai; Liu, Qing; Okamura, Taka-aki; Lu, Yi; Sun, Wei-Yin","Coordination polymers with mixed 4,4′-bipyridine-2,2′,6, 6′-tetracarboxylate and imidazole-containing ligands: synthesis, structure and properties","CrystEngComm","2012","14","24","8642","","10.1039/c2ce26338f","","","0.71075","MoKα","","0.1053","0.0916","","","0.2463","0.2605","","","","","","1.052","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214733","13.4995","0.0019","12.4212","0.0014","40.153","0.006","90","","108.438","0.006","90","","6387.2","1.5","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(Ni2(B1)(L2)2)-13(H2O)","[Ni2(B1)(L2)2]-13(H2O)","","- C56 H78 N14 Ni2 O21 -","- C56 H56 N14 Ni2 O21.165 -","- C224 H224 N56 Ni8 O84.66 -","4","1","","Chen, Min; Bai, Zheng-Shuai; Liu, Qing; Okamura, Taka-aki; Lu, Yi; Sun, Wei-Yin","Coordination polymers with mixed 4,4′-bipyridine-2,2′,6, 6′-tetracarboxylate and imidazole-containing ligands: synthesis, structure and properties","CrystEngComm","2012","14","24","8642","","10.1039/c2ce26338f","","","0.71075","MoKα","","0.0693","0.0513","","","0.1295","0.1406","","","","","","1.045","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214734","13.543","0.002","12.338","0.003","40.267","0.007","90","","108.395","0.007","90","","6385","2","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(Co2(B1)(L2)2)-13(H2O)","[Co2(B1)(L2)2]-13(H2O)","","- C56 H78 Co2 N14 O21 -","- C56 H52 Co2 N14 O20.547 -","- C224 H208 Co8 N56 O82.188 -","4","1","","Chen, Min; Bai, Zheng-Shuai; Liu, Qing; Okamura, Taka-aki; Lu, Yi; Sun, Wei-Yin","Coordination polymers with mixed 4,4′-bipyridine-2,2′,6, 6′-tetracarboxylate and imidazole-containing ligands: synthesis, structure and properties","CrystEngComm","2012","14","24","8642","","10.1039/c2ce26338f","","","0.71075","MoKα","","0.0839","0.0616","","","0.1592","0.1751","","","","","","1.02","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214735","5.679","0.0008","5.8215","0.0008","10.7072","0.0014","103.502","0.012","93.207","0.011","107.717","0.012","324.78","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1,1-Dioxo-tetrahydro-1?6-thiopyran-3-one","","- C5 H8 O3 S -","- C5 H8 O3 S -","- C10 H16 O6 S2 -","2","1","","Shishkin, Oleg V.; Medvediev, Volodymyr V.; Zubatyuk, Roman I.; Shyshkina, Olena O.; Kovalenko, Nataliya V.; Volovenko, Julian M.","Role of different molecular fragments in formation of the supramolecular architecture of the crystal of 1,1-dioxo-tetrahydro-1λ6-thiopyran-3-one","CrystEngComm","2012","14","24","8698","","10.1039/c2ce26332g","","","0.7107","MoKα","","0.0513","0.0403","","","0.0877","0.0987","","","","","","1.055","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214736","12.29","0.005","13.7","0.005","13.798","0.005","108.736","0.005","92.793","0.005","114.369","0.005","1959.3","1.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H28 Ag7 Mo12 N24 O41 P -","- C40 H28 Ag7 Mo12 N24 O41 P -","- C40 H28 Ag7 Mo12 N24 O41 P -","1","0.5","","Wang, Xiang; Peng, Jun; Alimaje, Kundawlet; Shi, Zhen-Yu","Keggin POM-based 3D framework tuned by silver polymeric motifs: structural influences of tetrazolate functional groups","CrystEngComm","2012","14","24","8509","","10.1039/c2ce26193f","","","0.71069","MoKα","","0.1081","0.0714","","","0.1442","0.1646","","","","","","1.086","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214737","12.453","0.005","13.018","0.005","17.071","0.005","95.864","0.005","91.454","0.005","100.003","0.005","2708.5","1.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H16 Ag5 Mo12 N14 O41 P -","- C20 H16 Ag5 Mo12 N14 O41 P -","- C40 H32 Ag10 Mo24 N28 O82 P2 -","2","1","","Wang, Xiang; Peng, Jun; Alimaje, Kundawlet; Shi, Zhen-Yu","Keggin POM-based 3D framework tuned by silver polymeric motifs: structural influences of tetrazolate functional groups","CrystEngComm","2012","14","24","8509","","10.1039/c2ce26193f","","","0.71069","MoKα","","0.0721","0.0565","","","0.1549","0.1694","","","","","","1.072","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214738","16.537","0.003","14.403","0.002","7.9836","0.0011","90","","96.63","0.012","90","","1888.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 Eu N6 O7 -","- C16 H13 Eu N6 O7 -","- C64 H52 Eu4 N24 O28 -","4","1","","Li, Zhao-Hao; Xue, Li-Ping; Zhao, Bang-Tun; Kan, Jian; Su, Wei-Ping","2D lanthanide‒organic frameworks constructed from lanthanide acetate skeletons and benzotriazole-5-carboxylic acid connectors: synthesis, structure, luminescence and magnetic properties","CrystEngComm","2012","14","24","8485","","10.1039/c2ce25927c","","","0.71073","MoKα","","0.0502","0.0462","","","0.1073","0.1112","","","","","","1.17","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214739","16.557","0.0009","14.4501","0.0007","8.0012","0.0004","90","","96.648","0.004","90","","1901.42","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N6 O7 Sm -","- C16 H13 N6 O7 Sm -","- C64 H52 N24 O28 Sm4 -","4","1","","Li, Zhao-Hao; Xue, Li-Ping; Zhao, Bang-Tun; Kan, Jian; Su, Wei-Ping","2D lanthanide‒organic frameworks constructed from lanthanide acetate skeletons and benzotriazole-5-carboxylic acid connectors: synthesis, structure, luminescence and magnetic properties","CrystEngComm","2012","14","24","8485","","10.1039/c2ce25927c","","","0.71073","MoKα","","0.0502","0.0477","","","0.1129","0.1152","","","","","","1.173","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214740","16.5521","0.0008","14.3705","0.0006","7.963","0.0004","90","","96.36","0.004","90","","1882.44","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N6 O7 Tb -","- C16 H13 N6 O7 Tb -","- C64 H52 N24 O28 Tb4 -","4","1","","Li, Zhao-Hao; Xue, Li-Ping; Zhao, Bang-Tun; Kan, Jian; Su, Wei-Ping","2D lanthanide‒organic frameworks constructed from lanthanide acetate skeletons and benzotriazole-5-carboxylic acid connectors: synthesis, structure, luminescence and magnetic properties","CrystEngComm","2012","14","24","8485","","10.1039/c2ce25927c","","","0.71073","MoKα","","0.0425","0.0393","","","0.0912","0.0943","","","","","","1.03","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214741","16.512","0.003","14.256","0.002","7.9218","0.0011","90","","96.345","0.012","90","","1853.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 Er N6 O7 -","- C16 H13 Er N6 O7 -","- C64 H52 Er4 N24 O28 -","4","1","","Li, Zhao-Hao; Xue, Li-Ping; Zhao, Bang-Tun; Kan, Jian; Su, Wei-Ping","2D lanthanide‒organic frameworks constructed from lanthanide acetate skeletons and benzotriazole-5-carboxylic acid connectors: synthesis, structure, luminescence and magnetic properties","CrystEngComm","2012","14","24","8485","","10.1039/c2ce25927c","","","0.71073","MoKα","","0.0351","0.034","","","0.0874","0.0889","","","","","","1.009","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214742","16.619","0.009","14.447","0.008","8.019","0.004","90","","96.614","0.01","90","","1912.5","1.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 Gd N6 O7 -","- C16 H13 Gd N6 O7 -","- C64 H52 Gd4 N24 O28 -","4","1","","Li, Zhao-Hao; Xue, Li-Ping; Zhao, Bang-Tun; Kan, Jian; Su, Wei-Ping","2D lanthanide‒organic frameworks constructed from lanthanide acetate skeletons and benzotriazole-5-carboxylic acid connectors: synthesis, structure, luminescence and magnetic properties","CrystEngComm","2012","14","24","8485","","10.1039/c2ce25927c","","","0.71073","MoKα","","0.0644","0.0584","","","0.1241","0.1283","","","","","","1.194","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214743","22.461","0.004","8.7532","0.0018","15.471","0.003","90","","102.78","0.03","90","","2966.3","1.1","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H24 Co Dy2 N4 O24 S2 -","- C18 H24 Co Dy2 N4 O24 S2 -","- C72 H96 Co4 Dy8 N16 O96 S8 -","4","0.5","","Wang, Shu-Ju; Tian, Yan-Wen; Xiong, Gang; You, Li-Xin; Ding, Fu; Guo, Mei-Yan; Gao, En-Jun; Smet, Philippe F.; Poelman, Dirk; Xiao, Lin-Jiu; Sun, Ya-Guang","Hydrothermal synthesis, crystal structure and properties of three-dimensional Co(ii)-4f heterometallic‒organic frameworks","CrystEngComm","2012","14","24","8689","","10.1039/c2ce26082d","","","0.71073","MoKα","","0.0286","0.0265","","","0.0646","0.0654","","","","","","1.004","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214744","15.418","0.003","8.6","0.0017","24.421","0.008","90","","115.58","0.02","90","","2920.7","1.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 Co Er2 N4 O24 S2 -","- C18 H24 Co Er2 N4 O24 S2 -","- C72 H96 Co4 Er8 N16 O96 S8 -","4","1","","Wang, Shu-Ju; Tian, Yan-Wen; Xiong, Gang; You, Li-Xin; Ding, Fu; Guo, Mei-Yan; Gao, En-Jun; Smet, Philippe F.; Poelman, Dirk; Xiao, Lin-Jiu; Sun, Ya-Guang","Hydrothermal synthesis, crystal structure and properties of three-dimensional Co(ii)-4f heterometallic‒organic frameworks","CrystEngComm","2012","14","24","8689","","10.1039/c2ce26082d","","","0.71073","MoKα","","0.0337","0.0275","","","0.059","0.0618","","","","","","0.99","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214745","22.434","0.019","8.783","0.007","15.504","0.012","90","","101.989","0.016","90","","2988","4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H24 Co Eu2 N4 O24 S2 -","- C18 H23.992 Co Eu2 N4 O23.996 S2 -","- C72 H95.968 Co4 Eu8 N16 O95.984 S8 -","4","0.5","","Wang, Shu-Ju; Tian, Yan-Wen; Xiong, Gang; You, Li-Xin; Ding, Fu; Guo, Mei-Yan; Gao, En-Jun; Smet, Philippe F.; Poelman, Dirk; Xiao, Lin-Jiu; Sun, Ya-Guang","Hydrothermal synthesis, crystal structure and properties of three-dimensional Co(ii)-4f heterometallic‒organic frameworks","CrystEngComm","2012","14","24","8689","","10.1039/c2ce26082d","","","0.71073","MoKα","","0.0317","0.0261","","","0.0559","0.0572","","","","","","0.9","","","","has coordinates,has disorder","180478","2020-10-21","18:00:00",""
"7214746","22.527","0.004","8.7652","0.0018","15.549","0.003","90","","102.57","0.03","90","","2996.6","1.1","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H24 Co Gd2 N4 O24 S2 -","- C18 H24 Co Gd2 N4 O24 S2 -","- C72 H96 Co4 Gd8 N16 O96 S8 -","4","0.5","","Wang, Shu-Ju; Tian, Yan-Wen; Xiong, Gang; You, Li-Xin; Ding, Fu; Guo, Mei-Yan; Gao, En-Jun; Smet, Philippe F.; Poelman, Dirk; Xiao, Lin-Jiu; Sun, Ya-Guang","Hydrothermal synthesis, crystal structure and properties of three-dimensional Co(ii)-4f heterometallic‒organic frameworks","CrystEngComm","2012","14","24","8689","","10.1039/c2ce26082d","","","0.71073","MoKα","","0.0713","0.0501","","","0.0766","0.0817","","","","","","1.164","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214747","22.4616","0.0018","8.7319","0.0007","15.458","0.0012","90","","102.784","0.001","90","","2956.7","0.4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H24 Co Ho2 N4 O24 S2 -","- C18 H24 Co Ho2 N4 O24 S2 -","- C72 H96 Co4 Ho8 N16 O96 S8 -","4","0.5","","Wang, Shu-Ju; Tian, Yan-Wen; Xiong, Gang; You, Li-Xin; Ding, Fu; Guo, Mei-Yan; Gao, En-Jun; Smet, Philippe F.; Poelman, Dirk; Xiao, Lin-Jiu; Sun, Ya-Guang","Hydrothermal synthesis, crystal structure and properties of three-dimensional Co(ii)-4f heterometallic‒organic frameworks","CrystEngComm","2012","14","24","8689","","10.1039/c2ce26082d","","","0.71073","MoKα","","0.0222","0.0194","","","0.0458","0.047","","","","","","1.051","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214748","22.799","0.015","8.68","0.02","15.656","0.014","90","","102.364","0.007","90","","3026","8","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H24 Co N4 O24 Pr2 S2 -","- C18 H24 Co N4 O24 Pr2 S2 -","- C72 H96 Co4 N16 O96 Pr8 S8 -","4","0.5","","Wang, Shu-Ju; Tian, Yan-Wen; Xiong, Gang; You, Li-Xin; Ding, Fu; Guo, Mei-Yan; Gao, En-Jun; Smet, Philippe F.; Poelman, Dirk; Xiao, Lin-Jiu; Sun, Ya-Guang","Hydrothermal synthesis, crystal structure and properties of three-dimensional Co(ii)-4f heterometallic‒organic frameworks","CrystEngComm","2012","14","24","8689","","10.1039/c2ce26082d","","","0.71073","MoKα","","0.0246","0.0201","","","0.0432","0.0442","","","","","","0.92","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214749","22.805","0.006","8.53","0.002","15.48","0.005","90","","102.424","0.005","90","","2940.8","1.4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H24 Co N4 O24 S2 Tb2 -","- C18 H24 Co N4 O24 S2 Tb2 -","- C72 H96 Co4 N16 O96 S8 Tb8 -","4","0.5","","Wang, Shu-Ju; Tian, Yan-Wen; Xiong, Gang; You, Li-Xin; Ding, Fu; Guo, Mei-Yan; Gao, En-Jun; Smet, Philippe F.; Poelman, Dirk; Xiao, Lin-Jiu; Sun, Ya-Guang","Hydrothermal synthesis, crystal structure and properties of three-dimensional Co(ii)-4f heterometallic‒organic frameworks","CrystEngComm","2012","14","24","8689","","10.1039/c2ce26082d","","","0.71073","MoKα","","0.0219","0.0203","","","0.052","0.0527","","","","","","1.039","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214750","18.5924","0.0008","18.5924","0.0008","17.9643","0.0009","90","","90","","120","","5377.9","0.4","293","2","293","2","","","","","","","","5","P 63 c m","P 6c -2","185","","","","- C24 H24 N6 O14 Zn3 -","- C24 H5 N6 O14 Zn3 -","- C144 H30 N36 O84 Zn18 -","6","0.5","","Yang, Hui; Zhang, Hai-Xia; Hou, Duan-Chuan; Li, Tie-Hu; Zhang, Jian","Assembly between various molecular-building-blocks for network diversity of zinc‒1,3,5-benzenetricarboxylate frameworks","CrystEngComm","2012","14","24","8684","","10.1039/c2ce26290h","","","0.71073","MoKα","","0.0849","0.0699","","","0.1766","0.187","","","","","","1.087","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214751","18.06","0.012","12.104","0.008","31.65","0.02","90","","90.48","0.015","90","","6918","8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H31 N3 O22 Zn5 -","- C39 H30 N3 O22 Zn5 -","- C156 H120 N12 O88 Zn20 -","4","1","","Yang, Hui; Zhang, Hai-Xia; Hou, Duan-Chuan; Li, Tie-Hu; Zhang, Jian","Assembly between various molecular-building-blocks for network diversity of zinc‒1,3,5-benzenetricarboxylate frameworks","CrystEngComm","2012","14","24","8684","","10.1039/c2ce26290h","","","0.71073","MoKα","","0.1403","0.1136","","","0.2915","0.3191","","","","","","0.994","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214752","12.906","0.004","12.606","0.004","27.737","0.009","90","","92.97","0.007","90","","4507","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H33 N3 O15 Zn3 -","- C18 H6 O15 Zn3 -","- C72 H24 O60 Zn12 -","4","1","","Yang, Hui; Zhang, Hai-Xia; Hou, Duan-Chuan; Li, Tie-Hu; Zhang, Jian","Assembly between various molecular-building-blocks for network diversity of zinc‒1,3,5-benzenetricarboxylate frameworks","CrystEngComm","2012","14","24","8684","","10.1039/c2ce26290h","","","0.71073","MoKα","","0.0908","0.0756","","","0.2221","0.2351","","","","","","1.005","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214753","31.171","0.012","12.186","0.004","27.629","0.011","90","","108.264","0.004","90","","9966","6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H36 N6 O15 Zn3 -","- C28 H6 N4 O15 Zn3 -","- C224 H48 N32 O120 Zn24 -","8","1","","Yang, Hui; Zhang, Hai-Xia; Hou, Duan-Chuan; Li, Tie-Hu; Zhang, Jian","Assembly between various molecular-building-blocks for network diversity of zinc‒1,3,5-benzenetricarboxylate frameworks","CrystEngComm","2012","14","24","8684","","10.1039/c2ce26290h","","","0.71073","MoKα","","0.1055","0.0856","","","0.2601","0.2858","","","","","","0.968","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214754","3.783","0.0001","13.7734","0.0003","11.4497","0.0003","90","","96.218","0.003","90","","593.07","0.03","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H8 N4 O2 -","- C16 H8 N4 O2 -","- C32 H16 N8 O4 -","2","0.5","","Yong, Guo-Ping; Zhang, Yi-Man; Zhang, Bei","Hydrothermal syntheses, crystal structures and properties of novel quinone biradical and mixed-valence copper coordination polymer with semiquinone radical ligand generated in situ","CrystEngComm","2012","14","24","8620","","10.1039/c2ce26418h","","","1.54184","CuKα","","0.0399","0.0384","","","0.1005","0.1024","","","","","","1.02","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214755","3.8062","0.0004","9.0241","0.0009","11.0195","0.0007","76.628","0.008","89.855","0.007","85.583","0.008","367.09","0.06","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H4 Cl Cu N2 O -","- C8 H4 Cl Cu N2 O -","- C16 H8 Cl2 Cu2 N4 O2 -","2","1","","Yong, Guo-Ping; Zhang, Yi-Man; Zhang, Bei","Hydrothermal syntheses, crystal structures and properties of novel quinone biradical and mixed-valence copper coordination polymer with semiquinone radical ligand generated in situ","CrystEngComm","2012","14","24","8620","","10.1039/c2ce26418h","","","1.54184","CuKα","","0.0342","0.0324","","","0.0853","0.0871","","","","","","1.053","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214756","4.0152","0.0008","9.821","0.002","13.736","0.003","78.74","0.03","86.02","0.03","84.26","0.03","527.9","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H18 F4 -","- C30 H18 F4 -","- C30 H18 F4 -","1","0.5","","Dong, Yujie; Xu, Bin; Zhang, Jibo; Lu, Hongguang; Wen, Shanpeng; Chen, Feipeng; He, Jiating; Li, Bao; Ye, Ling; Tian, Wenjing","Supramolecular interactions induced fluorescent organic nanowires with high quantum yield based on 9,10-distyrylanthracene","CrystEngComm","2012","14","20","6593","","10.1039/c2ce25276g","","","0.71073","MoKα","","0.1147","0.061","","","0.1623","0.1885","","","","","","1.077","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214757","4.875","0.001","13.857","0.003","20.296","0.004","90","","92.85","0.03","90","","1369.4","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H18 F12 -","- C34 H18 F12 -","- C68 H36 F24 -","2","0.5","","Dong, Yujie; Xu, Bin; Zhang, Jibo; Lu, Hongguang; Wen, Shanpeng; Chen, Feipeng; He, Jiating; Li, Bao; Ye, Ling; Tian, Wenjing","Supramolecular interactions induced fluorescent organic nanowires with high quantum yield based on 9,10-distyrylanthracene","CrystEngComm","2012","14","20","6593","","10.1039/c2ce25276g","","","0.71073","MoKα","","0.3116","0.0905","","","0.1588","0.2568","","","","","","0.934","","","","has coordinates,has disorder","180478","2020-10-21","18:00:00",""
"7214758","7.7071","0.0015","30.672","0.006","5.2356","0.001","90","","94.83","0.03","90","","1233.3","0.4","293","2","293","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 -","- C34 H30 -","- C68 H60 -","2","0.5","","Dong, Yujie; Xu, Bin; Zhang, Jibo; Lu, Hongguang; Wen, Shanpeng; Chen, Feipeng; He, Jiating; Li, Bao; Ye, Ling; Tian, Wenjing","Supramolecular interactions induced fluorescent organic nanowires with high quantum yield based on 9,10-distyrylanthracene","CrystEngComm","2012","14","20","6593","","10.1039/c2ce25276g","","","0.71073","MoKα","","0.1178","0.0766","","","0.2154","0.2451","","","","","","1.01","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214759","10.3558","0.0005","26.56","0.0014","14.0029","0.0007","90","","107.368","0.003","90","","3675.9","0.3","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H56 N2 O4 -","- C42 H56 N2 O4 -","- C168 H224 N8 O16 -","4","0.5","","Riisiö, Antti; Hänninen, Mikko M.; Sillanpää, Reijo","Alkyl and diether bridged N,N,N′,N′-tetra(2-hydroxybenzyl)diamines: effects of hydrogen bonding on structure and solubility","CrystEngComm","2012","14","21","7258","","10.1039/c2ce26027a","","","1.54184","CuKα","","0.0658","0.0523","","","0.1347","0.1454","","","","","","1.055","","","","has coordinates,has disorder","180478","2020-10-21","18:00:00",""
"7214760","10.275","0.0003","10.275","0.0003","37.3096","0.001","90","","90","","90","","3938.98","0.19","173","2","173","2","","","","","","","synthesis as described","4","P 41 21 2","P 4abw 2nw","92","","","","- C44 H60 N2 O4 -","- C44 H60 N2 O4 -","- C176 H240 N8 O16 -","4","0.5","","Riisiö, Antti; Hänninen, Mikko M.; Sillanpää, Reijo","Alkyl and diether bridged N,N,N′,N′-tetra(2-hydroxybenzyl)diamines: effects of hydrogen bonding on structure and solubility","CrystEngComm","2012","14","21","7258","","10.1039/c2ce26027a","","x-ray","0.71073","MoKα","","0.0827","0.0671","","","0.1589","0.1706","","","","","","1.073","","","","has coordinates,has disorder","180478","2020-10-21","18:00:00",""
"7214761","25.4087","0.0012","12.1422","0.0005","15.9143","0.0007","90","","113.402","0.002","90","","4506","0.4","223","2","223","2","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","","","- C46 H66 N2 O7 -","- C46 H66 N2 O7 -","- C184 H264 N8 O28 -","4","0.5","","Riisiö, Antti; Hänninen, Mikko M.; Sillanpää, Reijo","Alkyl and diether bridged N,N,N′,N′-tetra(2-hydroxybenzyl)diamines: effects of hydrogen bonding on structure and solubility","CrystEngComm","2012","14","21","7258","","10.1039/c2ce26027a","","x-ray","0.71073","MoKα","","0.1048","0.0661","","","0.1741","0.2044","","","","","","1.038","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214762","26.531","0.005","8.089","0.0016","25.787","0.005","90","","114.46","0.03","90","","5037","2","153","2","153","2","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","","","- C54 H80 N2 O6 -","- C54 H80 N2 O6 -","- C216 H320 N8 O24 -","4","0.5","","Riisiö, Antti; Hänninen, Mikko M.; Sillanpää, Reijo","Alkyl and diether bridged N,N,N′,N′-tetra(2-hydroxybenzyl)diamines: effects of hydrogen bonding on structure and solubility","CrystEngComm","2012","14","21","7258","","10.1039/c2ce26027a","","x-ray","0.71073","MoKα","","0.1039","0.0684","","","0.1509","0.1661","","","","","","1.05","","","","has coordinates,has disorder","180478","2020-10-21","18:00:00",""
"7214763","14.993","0.0005","17.182","0.0006","20.278","0.0005","90","","104.334","0.002","90","","5061.2","0.3","153","2","153","2","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","","","- C54 H80 N2 O6 -","- C54 H80 N2 O6 -","- C216 H320 N8 O24 -","4","0.5","","Riisiö, Antti; Hänninen, Mikko M.; Sillanpää, Reijo","Alkyl and diether bridged N,N,N′,N′-tetra(2-hydroxybenzyl)diamines: effects of hydrogen bonding on structure and solubility","CrystEngComm","2012","14","21","7258","","10.1039/c2ce26027a","","x-ray","0.71073","MoKα","","0.0997","0.054","","","0.1143","0.131","","","","","","1.023","","","","has coordinates,has disorder","180478","2020-10-21","18:00:00",""
"7214764","6.1165","0.0008","7.466","0.0012","12.9602","0.0017","86.758","0.005","76.883","0.004","70.706","0.005","543.91","0.13","173","","173","","","","","","","","","4","P 1","P 1","1","","","","- C10 H13 N O6 -","- C10 H13 N O6 -","- C20 H26 N2 O12 -","2","2","","Yoshii, Yuuya; Hoshino, Norihisa; Nakamura, Takayoshi; Akutagawa, Tomoyuki","Structural phase transitions induced by molecular motions within an (anilinium)(l-tartrate) ionic molecular crystal","CrystEngComm","2012","14","21","7458","","10.1039/c2ce25945a","","","0.71075","MoKα","","","0.0532","","","","0.146","","","","","","1.119","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214765","8.0038","0.0006","11.0971","0.0008","13.0242","0.0013","101.247","0.003","95.778","0.004","101.541","0.003","1099.83","0.16","250","","250","","","","","","","","","4","P 1","P 1","1","","","","- C10 H13 N O6 -","- C10 H13 N O6 -","- C40 H52 N4 O24 -","4","4","","Yoshii, Yuuya; Hoshino, Norihisa; Nakamura, Takayoshi; Akutagawa, Tomoyuki","Structural phase transitions induced by molecular motions within an (anilinium)(l-tartrate) ionic molecular crystal","CrystEngComm","2012","14","21","7458","","10.1039/c2ce25945a","","","0.71075","MoKα","","","0.0484","","","","0.2106","","","","","","1.028","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214766","8.0322","0.0006","11.0953","0.0008","13.0247","0.0009","100.127","0.0017","96.793","0.002","101.35","0.0018","1106.18","0.14","300","","300","","","","","","","","","4","P 1","P 1","1","","","","- C10 H13 N O6 -","- C10 H13 N O6 -","- C40 H52 N4 O24 -","4","4","","Yoshii, Yuuya; Hoshino, Norihisa; Nakamura, Takayoshi; Akutagawa, Tomoyuki","Structural phase transitions induced by molecular motions within an (anilinium)(l-tartrate) ionic molecular crystal","CrystEngComm","2012","14","21","7458","","10.1039/c2ce25945a","","","0.71075","MoKα","","","0.0492","","","","0.2223","","","","","","1.057","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214767","9.45","0.002","11.83","0.002","11.964","0.002","114.83","0.03","101.03","0.03","94.64","0.03","1171.8","0.5","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H24 N2 O3 -","- C32 H24 N2 O3 -","- C64 H48 N4 O6 -","2","1","","Veidis, Mikelis V.; Orola, Liana; Mutikainen, Ilpo; Sarcevica, Inese","The conformation of pyrogallol as a result of cocrystallization with N-heterocyclic bases","CrystEngComm","2012","14","21","7253","","10.1039/c2ce25821h","","","0.7107","MoKα","","0.0626","0.0417","","0.0741","0.071","0.0704","","","","","","1","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214768","14.931","0.003","15.372","0.003","15.647","0.003","60.72","0.03","67.16","0.03","67.07","0.03","2796.3","1.3","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C63 H60 N9 O12 -","- C63 H60 N9 O12 -","- C126 H120 N18 O24 -","2","1","","Veidis, Mikelis V.; Orola, Liana; Mutikainen, Ilpo; Sarcevica, Inese","The conformation of pyrogallol as a result of cocrystallization with N-heterocyclic bases","CrystEngComm","2012","14","21","7253","","10.1039/c2ce25821h","","","0.71073","MoKα","","0.0989","0.0515","","0.2117","0.1347","0.1299","","","","","","1.0472","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214769","7.301","0.0015","16.518","0.003","24.294","0.003","90","","98.53","0.03","90","","2897.4","0.9","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 N2 O3 -","- C18 H14 N2 O3 -","- C144 H112 N16 O24 -","8","2","","Veidis, Mikelis V.; Orola, Liana; Mutikainen, Ilpo; Sarcevica, Inese","The conformation of pyrogallol as a result of cocrystallization with N-heterocyclic bases","CrystEngComm","2012","14","21","7253","","10.1039/c2ce25821h","","","0.71073","MoKα","","0.1105","0.0576","","0.1087","0.0956","0.0928","","","","","","1","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214770","10.6419","0.0003","12.6654","0.0004","22.1187","0.0006","90","","90","","90","","2981.25","0.15","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H14 N2 O3 -","- C18 H14 N2 O3 -","- C144 H112 N16 O24 -","8","1","","Veidis, Mikelis V.; Orola, Liana; Mutikainen, Ilpo; Sarcevica, Inese","The conformation of pyrogallol as a result of cocrystallization with N-heterocyclic bases","CrystEngComm","2012","14","21","7253","","10.1039/c2ce25821h","","","0.7107","MoKα","","0.1321","0.0593","","0.2451","0.1257","0.1134","","","","","","1","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214771","6.9418","0.0011","7.9241","0.0011","16.6673","0.0019","82.282","0.01","82.029","0.011","66.661","0.011","830.5","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H11 Hg I2 N3 O2 -","- C12 H11 Hg I2 N3 O2 -","- C24 H22 Hg2 I4 N6 O4 -","2","1","","Khavasi, Hamid Reza; Barforoush, Maryam Mehdizadeh; Fard, Mahmood Azizpoor","Influence of ligand substituent on structural assembly and coordination geometry","CrystEngComm","2012","14","21","7236","","10.1039/c2ce25898f","","","0.71073","MoKα","","0.0738","0.0617","","","0.1521","0.1611","","","","","","1.149","","","","has coordinates","212110","2020-10-21","18:00:00",""
"7214772","6.7123","0.0006","13.9195","0.0017","26.783","0.003","90","","90","","90","","2502.4","0.5","120","2","120","2","","","","","","","","6","P b n a","-P 2ac 2b","60","","","","- C24 H22 Cl2 Hg N6 O4 -","- C24 H22 Cl2 Hg N6 O4 -","- C96 H88 Cl8 Hg4 N24 O16 -","4","0.5","","Khavasi, Hamid Reza; Barforoush, Maryam Mehdizadeh; Fard, Mahmood Azizpoor","Influence of ligand substituent on structural assembly and coordination geometry","CrystEngComm","2012","14","21","7236","","10.1039/c2ce25898f","","","0.71073","MoKα","","0.0776","0.0616","","","0.181","0.1904","","","","","","1.12","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214773","7.9158","0.0009","8.1142","0.0008","13.4426","0.0017","98.167","0.009","94.158","0.01","115.388","0.008","763.49","0.16","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H11 Br2 Hg N3 O2 -","- C12 H11 Br2 Hg N3 O2 -","- C24 H22 Br4 Hg2 N6 O4 -","2","1","","Khavasi, Hamid Reza; Barforoush, Maryam Mehdizadeh; Fard, Mahmood Azizpoor","Influence of ligand substituent on structural assembly and coordination geometry","CrystEngComm","2012","14","21","7236","","10.1039/c2ce25898f","","","0.71073","MoKα","","0.0991","0.0942","","","0.1882","0.1987","","","","","","1.146","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214774","7.9431","0.0007","8.9284","0.0008","12.9309","0.0012","93.369","0.007","97.228","0.007","104.449","0.007","877.1","0.14","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H13 Hg I2 N3 O2 -","- C13 H13 Hg I2 N3 O2 -","- C26 H26 Hg2 I4 N6 O4 -","2","1","","Khavasi, Hamid Reza; Barforoush, Maryam Mehdizadeh; Fard, Mahmood Azizpoor","Influence of ligand substituent on structural assembly and coordination geometry","CrystEngComm","2012","14","21","7236","","10.1039/c2ce25898f","","","0.71073","MoKα","","0.066","0.0598","","","0.1602","0.1669","","","","","","1.098","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214775","7.7934","0.001","8.7382","0.0012","12.4967","0.0014","93.388","0.01","96.104","0.01","103.975","0.01","817.98","0.18","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H13 Br2 Hg N3 O2 -","- C13 H13 Br2 Hg N3 O2 -","- C26 H26 Br4 Hg2 N6 O4 -","2","1","","Khavasi, Hamid Reza; Barforoush, Maryam Mehdizadeh; Fard, Mahmood Azizpoor","Influence of ligand substituent on structural assembly and coordination geometry","CrystEngComm","2012","14","21","7236","","10.1039/c2ce25898f","","","0.71073","MoKα","","0.0727","0.0626","","","0.1554","0.1629","","","","","","1.182","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214776","14.662","0.003","28.36","0.006","14.515","0.003","90","","114.78","0.03","90","","5480","2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 Cl2 Hg N6 O4 -","- C26 H26 Cl2 Hg N6 O4 -","- C208 H208 Cl16 Hg8 N48 O32 -","8","2","","Khavasi, Hamid Reza; Barforoush, Maryam Mehdizadeh; Fard, Mahmood Azizpoor","Influence of ligand substituent on structural assembly and coordination geometry","CrystEngComm","2012","14","21","7236","","10.1039/c2ce25898f","","","0.71073","MoKα","","0.0719","0.0535","","","0.1089","0.1153","","","","","","1.147","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214777","5.0331","0.0003","33.007","0.002","5.5043","0.0003","90","","99.24","0.004","90","","902.55","0.09","155","2","155","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H24 N2 O5 -","- C18 H24 N2 O5 -","- C36 H48 N4 O10 -","2","1","","Suryanti, Venty; Bhadbhade, Mohan; Bishop, Roger; Black, David StC; Kumar, Naresh","Self-assembly of alkyl N-acetylglyoxylic amides of varying chain lengths","CrystEngComm","2012","14","21","7345","","10.1039/c2ce25994j","","","0.71073","MoKα","","0.033","0.0299","","","0.0678","0.0692","","","","","","1.352","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214778","36.447","0.007","5.012","0.001","17.294","0.004","90","","103.65","0.03","90","","3069.9","1.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 N2 O3 -","- C16 H22 N2 O3 -","- C128 H176 N16 O24 -","8","2","","Suryanti, Venty; Bhadbhade, Mohan; Bishop, Roger; Black, David StC; Kumar, Naresh","Self-assembly of alkyl N-acetylglyoxylic amides of varying chain lengths","CrystEngComm","2012","14","21","7345","","10.1039/c2ce25994j","","","0.71073","Synchrotron","","0.2143","0.2","","","0.4452","0.4524","","","","","","1.157","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214779","8.8992","0.0012","9.9071","0.0017","12.299","0.002","75.265","0.007","81.633","0.007","76.227","0.007","1014.4","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H27 Br N2 O3 -","- C19 H27 Br N2 O3 -","- C38 H54 Br2 N4 O6 -","2","1","","Suryanti, Venty; Bhadbhade, Mohan; Bishop, Roger; Black, David StC; Kumar, Naresh","Self-assembly of alkyl N-acetylglyoxylic amides of varying chain lengths","CrystEngComm","2012","14","21","7345","","10.1039/c2ce25994j","","","0.71073","MoKα","","0.0987","0.0606","","","0.1685","0.1893","","","","","","1.095","","","","has coordinates,has disorder","180478","2020-10-21","18:00:00",""
"7214780","8.5713","0.0011","9.9041","0.0011","11.2296","0.0014","97.717","0.004","108.25","0.004","101.874","0.004","865.48","0.19","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H21 Br N2 O3 -","- C16 H21 Br N2 O3 -","- C32 H42 Br2 N4 O6 -","2","1","","Suryanti, Venty; Bhadbhade, Mohan; Bishop, Roger; Black, David StC; Kumar, Naresh","Self-assembly of alkyl N-acetylglyoxylic amides of varying chain lengths","CrystEngComm","2012","14","21","7345","","10.1039/c2ce25994j","","","0.71073","MoKα","","0.0555","0.04","","","0.1137","0.1286","","","","","","0.888","","","","has coordinates,has disorder","180478","2020-10-21","18:00:00",""
"7214781","24.24","0.005","5.021","0.001","17.387","0.003","90","","91.28","0.03","90","","2115.6","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H34 N2 O3 -","- C22 H34 N2 O3 -","- C88 H136 N8 O12 -","4","1","","Suryanti, Venty; Bhadbhade, Mohan; Bishop, Roger; Black, David StC; Kumar, Naresh","Self-assembly of alkyl N-acetylglyoxylic amides of varying chain lengths","CrystEngComm","2012","14","21","7345","","10.1039/c2ce25994j","","","0.71073","Synchrotron","","0.1305","0.1295","","","0.4097","0.4101","","","","","","1.047","","","","has coordinates,has disorder","180478","2020-10-21","18:00:00",""
"7214782","14.926","0.003","29.517","0.006","15.957","0.003","90","","116.34","0.03","90","","6300","3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C65 H65 Br4 Cl3 N4 O8 -","- C65 H65 Br4 Cl3 N4 O8 -","- C260 H260 Br16 Cl12 N16 O32 -","4","1","","Tero, Tiia-Riikka; Salorinne, Kirsi; Nissinen, Maija","The effect of halogen bonding on the packing of bromine-substituted pyridine and benzyl functionalized resorcinarene tetrapodands in the solid state","CrystEngComm","2012","14","21","7360","","10.1039/c2ce25972a","","","1.54178","CuKα","","0.1263","0.0749","","","0.1699","0.1998","","","","","","1.024","","","","has coordinates,has disorder","180478","2020-10-21","18:00:00",""
"7214783","13.645","0.001","35.308","0.003","13.891","0.001","90","","96.576","0.004","90","","6648.3","0.9","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66.5 H69 Br4 Cl5 N4 O8 -","- C66.5 H69 Br4 Cl5 N4 O8 -","- C266 H276 Br16 Cl20 N16 O32 -","4","1","","Tero, Tiia-Riikka; Salorinne, Kirsi; Nissinen, Maija","The effect of halogen bonding on the packing of bromine-substituted pyridine and benzyl functionalized resorcinarene tetrapodands in the solid state","CrystEngComm","2012","14","21","7360","","10.1039/c2ce25972a","","","1.54178","CuKα","","0.1775","0.0898","","","0.2198","0.287","","","","","","1.048","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7214784","14.329","0.0003","16.2799","0.0004","17.1585","0.0005","73.013","0.001","68.37","0.001","87.773","0.001","3547.78","0.16","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C67 H67 Br4 Cl9 N4 O8 -","- C67 H67 Br4 Cl9 N4 O8 -","- C134 H134 Br8 Cl18 N8 O16 -","2","1","","Tero, Tiia-Riikka; Salorinne, Kirsi; Nissinen, Maija","The effect of halogen bonding on the packing of bromine-substituted pyridine and benzyl functionalized resorcinarene tetrapodands in the solid state","CrystEngComm","2012","14","21","7360","","10.1039/c2ce25972a","","","1.54178","CuKα","","0.0585","0.0533","","","0.1383","0.1428","","","","","","1.03","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214785","13.0274","0.0004","15.5167","0.0005","17.6396","0.0007","77.702","0.002","75.161","0.002","68.214","0.002","3172.9","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H71 Br4 N O8 -","- C70 H71 Br4 N O8 -","- C140 H142 Br8 N2 O16 -","2","1","","Tero, Tiia-Riikka; Salorinne, Kirsi; Nissinen, Maija","The effect of halogen bonding on the packing of bromine-substituted pyridine and benzyl functionalized resorcinarene tetrapodands in the solid state","CrystEngComm","2012","14","21","7360","","10.1039/c2ce25972a","","","1.54178","CuKα","","0.0602","0.0462","","","0.1088","0.1186","","","","","","1.041","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214786","18.7558","0.0011","10.1597","0.0004","18.8355","0.0012","90","","104.734","0.006","90","","3471.1","0.3","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","acetylacetonatochlorobis(morpholine)copper(II)","","- C13 H25 Cl Cu N2 O4 -","- C13 H25 Cl Cu N2 O4 -","- C104 H200 Cl8 Cu8 N16 O32 -","8","2","","Stilinović, Vladimir; Užarević, Krunoslav; Cvrtila, Ivica; Kaitner, Branko","Bis(morpholine) hydrogen bond pincer ‒ a novel series of heteroleptic Cu(ii) coordination compounds as receptors for electron rich guests","CrystEngComm","2012","14","21","7493","","10.1039/c2ce25848j","","","0.71073","MoKα","","0.1103","0.0821","","","0.2234","0.2296","","","","","","1.152","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214787","6.8963","0.0002","11.7384","0.0003","13.5638","0.0003","82.211","0.002","84.292","0.005","73.527","0.003","1041.07","0.05","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","benzoylacetonatochlorobis(morpholine)copper(II)","","- C18 H29 Cl Cu N2 O5 -","- C18 H29 Cl Cu N2 O5 -","- C36 H58 Cl2 Cu2 N4 O10 -","2","1","","Stilinović, Vladimir; Užarević, Krunoslav; Cvrtila, Ivica; Kaitner, Branko","Bis(morpholine) hydrogen bond pincer ‒ a novel series of heteroleptic Cu(ii) coordination compounds as receptors for electron rich guests","CrystEngComm","2012","14","21","7493","","10.1039/c2ce25848j","","","0.71073","MoKα","","0.0428","0.0318","","","0.0818","0.0847","","","","","","1.024","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214788","13.5493","0.0006","11.3606","0.0004","13.7432","0.0006","90","","92.171","0.004","90","","2113.95","0.15","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","benzoylacetonatonitratobis(morpholine)copper(II)","","- C18 H27 Cu N3 O7 -","- C18 H27 Cu N3 O7 -","- C72 H108 Cu4 N12 O28 -","4","1","","Stilinović, Vladimir; Užarević, Krunoslav; Cvrtila, Ivica; Kaitner, Branko","Bis(morpholine) hydrogen bond pincer ‒ a novel series of heteroleptic Cu(ii) coordination compounds as receptors for electron rich guests","CrystEngComm","2012","14","21","7493","","10.1039/c2ce25848j","","","0.71073","MoKα","","0.0657","0.0365","","","0.0761","0.0789","","","","","","0.934","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214789","11.1998","0.001","17.0668","0.001","8.4726","0.0006","90","","102.461","0.008","90","","1581.3","0.2","295","2","295","2","","","","","","","","6","C 1 m 1","C -2y","8","","(1,3-diphenyl-1,3-propanedionato)aquabis(morpholine)copper(II) chloride - morpholinium chloride","","- C27 H41 Cl2 Cu N3 O6 -","- C27 H41 Cl2 Cu N3 O6 -","- C54 H82 Cl4 Cu2 N6 O12 -","2","0.5","","Stilinović, Vladimir; Užarević, Krunoslav; Cvrtila, Ivica; Kaitner, Branko","Bis(morpholine) hydrogen bond pincer ‒ a novel series of heteroleptic Cu(ii) coordination compounds as receptors for electron rich guests","CrystEngComm","2012","14","21","7493","","10.1039/c2ce25848j","","","0.71073","MoKα","","0.0616","0.0511","","","0.13","0.133","","","","","","1.006","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214790","12.0852","0.0003","9.7689","0.0002","20.8357","0.0004","90","","91.745","0.002","90","","2458.7","0.09","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(2,2,6,6-tetramethyl-3,5-heptanedionato)chloroobis(morpholine)copper(II) monohydrate","","- C19 H39 Cl Cu N2 O5 -","- C19 H39 Cl Cu N2 O5 -","- C76 H156 Cl4 Cu4 N8 O20 -","4","1","","Stilinović, Vladimir; Užarević, Krunoslav; Cvrtila, Ivica; Kaitner, Branko","Bis(morpholine) hydrogen bond pincer ‒ a novel series of heteroleptic Cu(ii) coordination compounds as receptors for electron rich guests","CrystEngComm","2012","14","21","7493","","10.1039/c2ce25848j","","","0.71073","MoKα","","0.0647","0.0437","","","0.1221","0.1277","","","","","","0.989","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214791","10.458","0.002","37.201","0.006","7.053","0.002","90","","108.72","0.02","90","","2598.8","1","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(2,2,6,6-tetramethyl-3,5-heptanedionato)thiocyanatobis(morpholine)copper(II)","","- C20 H37 Cu N3 O4 S -","- C20 H37 Cu N3 O4 S -","- C80 H148 Cu4 N12 O16 S4 -","4","1","","Stilinović, Vladimir; Užarević, Krunoslav; Cvrtila, Ivica; Kaitner, Branko","Bis(morpholine) hydrogen bond pincer ‒ a novel series of heteroleptic Cu(ii) coordination compounds as receptors for electron rich guests","CrystEngComm","2012","14","21","7493","","10.1039/c2ce25848j","","","0.71073","MoKα","","0.2423","0.2156","","","0.5189","0.5347","","","","","","1.843","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214792","15.888","0.005","16.7","0.003","17.261","0.013","90","","113.85","0.06","90","","4189","4","150","0.2","150","0.2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","(1,3-diphenyl-1,3-propanedionato)chlorobis(morpholine)copper(II) - morpholinium chloride morpholine solvate hydrate","","- C74 H126 Cl3 Cu2 N11 O17 -","- C74 H118 Cl3 Cu2 N11 O17 -","- C148 H236 Cl6 Cu4 N22 O34 -","2","0.25","","Stilinović, Vladimir; Užarević, Krunoslav; Cvrtila, Ivica; Kaitner, Branko","Bis(morpholine) hydrogen bond pincer ‒ a novel series of heteroleptic Cu(ii) coordination compounds as receptors for electron rich guests","CrystEngComm","2012","14","21","7493","","10.1039/c2ce25848j","","","0.71073","MoKα","","0.1456","0.0837","","","0.2246","0.2405","","","","","","0.973","","","","has coordinates,has disorder","180478","2020-10-21","18:00:00",""
"7214793","6.4957","0.0002","23.028","0.001","8.5679","0.0003","90","","102.451","0.004","90","","1251.47","0.08","295","2","295","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","(1,3-diphenyl-1,3-propanedionato)thiocyanatobis(morpholine)copper(II)","","- C24 H29 Cu N3 O4 S -","- C24 H29 Cu N3 O4 S -","- C48 H58 Cu2 N6 O8 S2 -","2","0.5","","Stilinović, Vladimir; Užarević, Krunoslav; Cvrtila, Ivica; Kaitner, Branko","Bis(morpholine) hydrogen bond pincer ‒ a novel series of heteroleptic Cu(ii) coordination compounds as receptors for electron rich guests","CrystEngComm","2012","14","21","7493","","10.1039/c2ce25848j","","","0.71073","MoKα","","0.0535","0.0328","","","0.0889","0.0918","","","","","","0.957","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214794","10.2419","0.0007","13.1084","0.0011","16.9868","0.0012","90","","90","","90","","2280.6","0.3","150","0.1","150","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","1,1,1-trifluoroacetylacetonatochlorobis(morpholine)copper(II) - morpholine solvate","","- C17 H31 Cl Cu F3 N3 O5 -","- C17 H31 Cl Cu F3 N3 O5 -","- C68 H124 Cl4 Cu4 F12 N12 O20 -","4","1","","Stilinović, Vladimir; Užarević, Krunoslav; Cvrtila, Ivica; Kaitner, Branko","Bis(morpholine) hydrogen bond pincer ‒ a novel series of heteroleptic Cu(ii) coordination compounds as receptors for electron rich guests","CrystEngComm","2012","14","21","7493","","10.1039/c2ce25848j","","","0.71073","MoKα","","0.085","0.0461","","","0.0959","0.1023","","","","","","0.839","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214795","7.0715","0.0014","9.0663","0.0018","17.098","0.003","92.53","0.03","101.12","0.03","102.62","0.03","1045.4","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H13 Cl N2 -","- C11 H13 Cl N2 -","- C44 H52 Cl4 N8 -","4","2","","Su, Qing; He, Mina; Wu, Qiaolin; Gao, Wei; Xu, Hai; Ye, Ling; Mu, Ying","The supramolecular assemblies of 7-amino-2,4-dimethylquinolinium salts and the effect of a variety of anions on their luminescent properties","CrystEngComm","2012","14","21","7275","","10.1039/c2ce25883h","","","0.71073","MoKα","","0.0593","0.0435","","","0.1332","0.1501","","","","","","1.08","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214796","6.9883","0.0014","17.034","0.003","12.698","0.003","90","","99.88","0.03","90","","1489.1","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H19 Cl N2 O S -","- C13 H19 Cl N2 O S -","- C52 H76 Cl4 N8 O4 S4 -","4","1","","Su, Qing; He, Mina; Wu, Qiaolin; Gao, Wei; Xu, Hai; Ye, Ling; Mu, Ying","The supramolecular assemblies of 7-amino-2,4-dimethylquinolinium salts and the effect of a variety of anions on their luminescent properties","CrystEngComm","2012","14","21","7275","","10.1039/c2ce25883h","","","0.71073","MoKα","","0.0757","0.0452","","","0.1211","0.1349","","","","","","0.937","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214797","17.755","0.004","7.4749","0.0015","18.786","0.004","90","","90","","90","","2493.2","0.9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H16 N2 O2 -","- C13 H16 N2 O2 -","- C104 H128 N16 O16 -","8","1","","Su, Qing; He, Mina; Wu, Qiaolin; Gao, Wei; Xu, Hai; Ye, Ling; Mu, Ying","The supramolecular assemblies of 7-amino-2,4-dimethylquinolinium salts and the effect of a variety of anions on their luminescent properties","CrystEngComm","2012","14","21","7275","","10.1039/c2ce25883h","","","0.71073","MoKα","","0.0873","0.0522","","","0.1345","0.1495","","","","","","1.044","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214798","24.339","0.005","7.2309","0.0014","18.639","0.004","90","","112.5","0.03","90","","3030.6","1.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C144 H144 N16 O16 -","8","2","","Su, Qing; He, Mina; Wu, Qiaolin; Gao, Wei; Xu, Hai; Ye, Ling; Mu, Ying","The supramolecular assemblies of 7-amino-2,4-dimethylquinolinium salts and the effect of a variety of anions on their luminescent properties","CrystEngComm","2012","14","21","7275","","10.1039/c2ce25883h","","","0.71073","MoKα","","0.115","0.0592","","","0.1247","0.1442","","","","","","1.036","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214799","7.1192","0.0014","15.328","0.003","15.729","0.003","90","","90","","90","","1716.4","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 N2 O8 -","- C15 H22 N2 O8 -","- C60 H88 N8 O32 -","4","1","","Su, Qing; He, Mina; Wu, Qiaolin; Gao, Wei; Xu, Hai; Ye, Ling; Mu, Ying","The supramolecular assemblies of 7-amino-2,4-dimethylquinolinium salts and the effect of a variety of anions on their luminescent properties","CrystEngComm","2012","14","21","7275","","10.1039/c2ce25883h","","","0.71073","MoKα","","0.055","0.0483","","","0.1351","0.1391","","","","","","1.045","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214800","16.1492","0.0014","15.1711","0.0013","26.937","0.002","90","","90","","90","","6599.6","0.9","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C74 H54 N4 O18 Zn5 -","- C74 H54 N4 O18 Zn5 -","- C296 H216 N16 O72 Zn20 -","4","0.5","","Wang, Yu-Ling; Fu, Jiang-Hong; Jiang, Yun-Liang; Fu, Yang; Xiong, Wei-Lu; Liu, Qing-Yan","Metal oxo cluster-based coordination polymers with rigid 1,4-naphthalenedicarboxylate and semirigid 1,3-di(4-pyridyl)propane ligands: syntheses, structural topologies, and luminescent properties","CrystEngComm","2012","14","21","7245","","10.1039/c2ce25938a","","","0.71073","MoKα","","0.0741","0.0426","","","0.0945","0.1115","","","","","","1.002","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214801","30.2764","0.0006","12.1038","0.0003","30.7311","0.0007","90","","96.377","0.001","90","","11192","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C61 H38 N2 O17 Pb5 -","- C61 H38 N2 O17 Pb5 -","- C488 H304 N16 O136 Pb40 -","8","1","","Wang, Yu-Ling; Fu, Jiang-Hong; Jiang, Yun-Liang; Fu, Yang; Xiong, Wei-Lu; Liu, Qing-Yan","Metal oxo cluster-based coordination polymers with rigid 1,4-naphthalenedicarboxylate and semirigid 1,3-di(4-pyridyl)propane ligands: syntheses, structural topologies, and luminescent properties","CrystEngComm","2012","14","21","7245","","10.1039/c2ce25938a","","","0.71073","MoKα","","0.0611","0.0368","","","0.0674","0.0742","","","","","","1.009","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214802","8.9885","0.0003","18.7361","0.0006","7.8637","0.0003","90","","98.878","0.003","90","","1308.45","0.08","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 Mn N2 O8 -","- C11 H12 Mn N2 O8 -","- C44 H48 Mn4 N8 O32 -","4","1","","Zhang, Yu; Luo, Xiaobo; Yang, Zeli; Li, Gang","Metal‒organic frameworks constructed from imidazole dicarboxylates bearing aromatic substituents at the 2-position","CrystEngComm","2012","14","21","7382","","10.1039/c2ce25912e","","","0.71073","MoKα","","0.0382","0.0314","","","0.0727","0.0766","","","","","","1.078","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214803","14.03","0.009","6.614","0.004","12.613","0.008","90","","103.62","0.008","90","","1137.5","1.2","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 N2 O5 Sr -","- C11 H8 N2 O5 Sr -","- C44 H32 N8 O20 Sr4 -","4","1","","Zhang, Yu; Luo, Xiaobo; Yang, Zeli; Li, Gang","Metal‒organic frameworks constructed from imidazole dicarboxylates bearing aromatic substituents at the 2-position","CrystEngComm","2012","14","21","7382","","10.1039/c2ce25912e","","","0.71073","MoKα","","0.0964","0.0572","","","0.1367","0.1498","","","","","","1.009","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214804","21.363","0.002","10.5184","0.0011","20.465","0.002","90","","90","","90","","4598.6","0.8","291","2","291","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C47 H30 Cd2 N8 O11 -","- C47 H26 Cd2 N8 O11 -","- C188 H104 Cd8 N32 O44 -","4","1","","Zhang, Yu; Luo, Xiaobo; Yang, Zeli; Li, Gang","Metal‒organic frameworks constructed from imidazole dicarboxylates bearing aromatic substituents at the 2-position","CrystEngComm","2012","14","21","7382","","10.1039/c2ce25912e","","","0.71073","MoKα","","0.0924","0.0516","","","0.1193","0.1391","","","","","","1.019","","","","has coordinates,has disorder","180479","2020-10-21","18:00:00",""
"7214805","9.4315","0.0011","20.99","0.003","20.452","0.002","90","","103.183","0.001","90","","3942.1","0.8","291.15","","291.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H28 Cd2 N8 O11 -","- C42 H28 Cd2 N8 O11 -","- C168 H112 Cd8 N32 O44 -","4","1","","Zhang, Yu; Luo, Xiaobo; Yang, Zeli; Li, Gang","Metal‒organic frameworks constructed from imidazole dicarboxylates bearing aromatic substituents at the 2-position","CrystEngComm","2012","14","21","7382","","10.1039/c2ce25912e","","","0.71073","MoKα","","0.0521","0.0357","","","0.0834","0.0909","","","","","","1.026","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214806","14.9469","0.0007","6.6581","0.0002","12.6986","0.0005","90","","103.505","0.005","90","","1228.8","0.09","290.5","","290.5","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N2 O5 Sr -","- C12 H10 N2 O5 Sr -","- C48 H40 N8 O20 Sr4 -","4","1","","Zhang, Yu; Luo, Xiaobo; Yang, Zeli; Li, Gang","Metal‒organic frameworks constructed from imidazole dicarboxylates bearing aromatic substituents at the 2-position","CrystEngComm","2012","14","21","7382","","10.1039/c2ce25912e","","","0.7107","MoKα","","0.0481","0.0346","","","0.0779","0.0836","","","","","","1.059","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214807","15.0195","0.0007","15.2813","0.0007","19.1307","0.001","103.351","0.004","91.289","0.004","93.269","0.004","4262.3","0.4","291.15","","291.15","","","","","","","","","5","P -1","-P 1","2","","","","- C83 H69 Cd4 N15 O17 -","- C83 H69 Cd4 N15 O17 -","- C166 H138 Cd8 N30 O34 -","2","1","","Zhang, Yu; Luo, Xiaobo; Yang, Zeli; Li, Gang","Metal‒organic frameworks constructed from imidazole dicarboxylates bearing aromatic substituents at the 2-position","CrystEngComm","2012","14","21","7382","","10.1039/c2ce25912e","","","0.7107","MoKα","","0.0741","0.0432","","","0.0854","0.0996","","","","","","1.027","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214808","24.3529","0.0009","24.3529","0.0009","14.2468","0.001","90","","90","","120","","7317.3","0.6","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C12 H10 Co1.5 N2 O8 -","- C12 H15 Co1.5 N2 O8 -","- C216 H270 Co27 N36 O144 -","18","1","","Zhang, Yu; Luo, Xiaobo; Yang, Zeli; Li, Gang","Metal‒organic frameworks constructed from imidazole dicarboxylates bearing aromatic substituents at the 2-position","CrystEngComm","2012","14","21","7382","","10.1039/c2ce25912e","","","0.71073","MoKα","","0.0745","0.0406","","","0.0983","0.1179","","","","","","0.905","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214809","11.813","0.014","18","0.02","22.3","0.03","90","","97.925","0.01","90","","4696","10","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H43 Cl Mn2 N6 O13 -","- C46 H41 Cl Mn2 N6 O13 -","- C184 H164 Cl4 Mn8 N24 O52 -","4","1","","Manna, Subal Chandra; Mistri, Soumen; Jana, Atish Dipankar","A rare supramolecular assembly involving ion pairs of coordination complexes with a host‒guest relationship: synthesis, crystal structure, photoluminescence and thermal study","CrystEngComm","2012","14","21","7415","","10.1039/c2ce25916h","","","0.71073","MoKα","","0.1354","0.1052","","","0.2084","0.2217","","","","","","1.235","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214810","16.2948","0.0003","16.2948","0.0003","19.3671","0.0006","90","","90","","120","","4453.42","0.18","100","2","100","2","","","","","","","","7","P 32 2 1","P 32 2""","154","","","","- C56 H72 Cl4 Fe Mn2 N11 O8 -","- C56 H72 Cl4 Fe Mn2 N11 O8 -","- C168 H216 Cl12 Fe3 Mn6 N33 O24 -","3","0.5","","Kara, Hulya; Azizoglu, Akın; Karaoglu, Ayse; Yahsi, Yasemin; Gungor, Elif; Caneschi, Andrea; Sorace, Lorenzo","Synthesis, crystal structure, magnetic properties and computational study of a series of cyano-bridged MnIII-FeIII complexes","CrystEngComm","2012","14","21","7320","","10.1039/c2ce25646k","","","0.71073","MoKα","","0.0467","0.0312","","","0.0662","0.071","","","","","","0.999","","","","has coordinates,has disorder","180479","2020-10-21","18:00:00",""
"7214811","28.5554","0.0002","28.5554","0.0002","19.2155","0.0002","90","","90","","120","","13569.3","0.19","100","2","100","2","","","","","","","","7","P 32","P 32","145","","","","- C168 H216 Br12 Fe3 Mn6 N33 O24 -","- C168 H216 Br12 Fe3 Mn6 N33 O24 -","- C504 H648 Br36 Fe9 Mn18 N99 O72 -","3","1","","Kara, Hulya; Azizoglu, Akın; Karaoglu, Ayse; Yahsi, Yasemin; Gungor, Elif; Caneschi, Andrea; Sorace, Lorenzo","Synthesis, crystal structure, magnetic properties and computational study of a series of cyano-bridged MnIII-FeIII complexes","CrystEngComm","2012","14","21","7320","","10.1039/c2ce25646k","","","0.71073","MoKα","","0.0688","0.0379","","","0.0701","0.0791","","","","","","1.019","","","","has coordinates,has disorder","180479","2020-10-21","18:00:00",""
"7214812","16.4076","0.0003","10.4683","0.0002","21.8806","0.0004","90","","119.305","0.001","90","","3277.25","0.11","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C60 H86 Fe Mn2 N11 O13 -","- C60 H86.001 Fe Mn2 N11 O13 -","- C120 H172.002 Fe2 Mn4 N22 O26 -","2","0.5","","Kara, Hulya; Azizoglu, Akın; Karaoglu, Ayse; Yahsi, Yasemin; Gungor, Elif; Caneschi, Andrea; Sorace, Lorenzo","Synthesis, crystal structure, magnetic properties and computational study of a series of cyano-bridged MnIII-FeIII complexes","CrystEngComm","2012","14","21","7320","","10.1039/c2ce25646k","","","0.71073","MoKα","","0.0516","0.035","","","0.0798","0.0877","","","","","","1.012","","","","has coordinates,has disorder","180479","2020-10-21","18:00:00",""
"7214813","7.258","0.0009","8.4271","0.001","12.6094","0.0015","77.86","0.002","75.529","0.002","72.829","0.003","705.67","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 F3 N O4 -","- C16 H12 F3 N O4 -","- C32 H24 F6 N2 O8 -","2","1","","Kole, Goutam Kumar; Tan, Geok Kheng; Vittal, Jagadese J.","Solid state photodimerization of trans-2-(4-pyridyl)-4-vinylbenzoic acid via salt formation and isomerisation of cyclobutane compounds in solution","CrystEngComm","2012","14","21","7438","","10.1039/c2ce26086g","","","0.71073","MoKα","","0.0643","0.0578","","","0.1395","0.1432","","","","","","1.091","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214814","8.6037","0.0011","9.5432","0.0012","10.2702","0.0013","93.248","0.002","101.615","0.002","107.129","0.002","783.27","0.17","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H16 Cl N O7 -","- C15 H16 Cl N O7 -","- C30 H32 Cl2 N2 O14 -","2","1","","Kole, Goutam Kumar; Tan, Geok Kheng; Vittal, Jagadese J.","Solid state photodimerization of trans-2-(4-pyridyl)-4-vinylbenzoic acid via salt formation and isomerisation of cyclobutane compounds in solution","CrystEngComm","2012","14","21","7438","","10.1039/c2ce26086g","","","0.71073","MoKα","","0.0893","0.0784","","","0.2203","0.2274","","","","","","1.221","","","","has coordinates,has disorder","180479","2020-10-21","18:00:00",""
"7214815","11.1151","0.0009","11.8964","0.0009","22.1546","0.0018","91.414","0.002","98.911","0.002","110.246","0.002","2705.6","0.4","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H52 N4 O21 S3 -","- C56 H52 N4 O21 S3 -","- C112 H104 N8 O42 S6 -","2","1","","Kole, Goutam Kumar; Tan, Geok Kheng; Vittal, Jagadese J.","Solid state photodimerization of trans-2-(4-pyridyl)-4-vinylbenzoic acid via salt formation and isomerisation of cyclobutane compounds in solution","CrystEngComm","2012","14","21","7438","","10.1039/c2ce26086g","","","0.71073","MoKα","","0.0998","0.0652","","","0.1352","0.1503","","","","","","1.035","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214816","10.1643","0.0011","10.1819","0.001","34.305","0.004","90","","95.067","0.003","90","","3536.4","0.7","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40.75 H39 N4 O6.75 -","- C40.75 H37 N4 O6.75 -","- C163 H148 N16 O27 -","4","1","","Kole, Goutam Kumar; Tan, Geok Kheng; Vittal, Jagadese J.","Solid state photodimerization of trans-2-(4-pyridyl)-4-vinylbenzoic acid via salt formation and isomerisation of cyclobutane compounds in solution","CrystEngComm","2012","14","21","7438","","10.1039/c2ce26086g","","","0.71073","MoKα","","0.1337","0.0861","","","0.2053","0.2338","","","","","","1.072","","","","has coordinates,has disorder","180479","2020-10-21","18:00:00",""
"7214817","39.688","0.008","8.3626","0.0017","16.671","0.003","90","","97.19","0.03","90","","5489.5","1.9","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H26 N4 O4 -","- C34 H26 N4 O4 -","- C272 H208 N32 O32 -","8","1","","Suhonen, Aku; Nauha, Elisa; Salorinne, Kirsi; Helttunen, Kaisa; Nissinen, Maija","Structural analysis of two foldamer-type oligoamides ‒ the effect of hydrogen bonding on solvate formation, crystal structures and molecular conformation","CrystEngComm","2012","14","21","7398","","10.1039/c2ce25981h","","","1.54178","CuKα","","0.0987","0.0559","","","0.1242","0.1471","","","","","","1.018","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214818","8.8462","0.0001","9.6181","0.0001","18.7208","0.0001","84.621","0.001","85.074","0.001","81.72","0.001","1565.05","0.03","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H32 N4 O5 S -","- C36 H32 N4 O5 S -","- C72 H64 N8 O10 S2 -","2","1","","Suhonen, Aku; Nauha, Elisa; Salorinne, Kirsi; Helttunen, Kaisa; Nissinen, Maija","Structural analysis of two foldamer-type oligoamides ‒ the effect of hydrogen bonding on solvate formation, crystal structures and molecular conformation","CrystEngComm","2012","14","21","7398","","10.1039/c2ce25981h","","","1.54178","CuKα","","0.1226","0.0677","","","0.1413","0.1715","","","","","","1.03","","","","has coordinates,has disorder","180479","2020-10-21","18:00:00",""
"7214819","8.881","0.0004","14.2224","0.0007","14.3149","0.0006","114.149","0.002","97.447","0.002","100.481","0.004","1579.84","0.13","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H32 N4 O5 S -","- C36 H32 N4 O5 S -","- C72 H64 N8 O10 S2 -","2","1","","Suhonen, Aku; Nauha, Elisa; Salorinne, Kirsi; Helttunen, Kaisa; Nissinen, Maija","Structural analysis of two foldamer-type oligoamides ‒ the effect of hydrogen bonding on solvate formation, crystal structures and molecular conformation","CrystEngComm","2012","14","21","7398","","10.1039/c2ce25981h","","","1.54178","CuKα","","0.0751","0.0506","","","0.118","0.1335","","","","","","1.046","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214820","10.5379","0.0007","11.538","0.0007","12.1818","0.0007","78.559","0.003","74.708","0.003","77.753","0.004","1380.16","0.15","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H25 N5 O4 -","- C33 H25 N5 O4 -","- C66 H50 N10 O8 -","2","1","","Suhonen, Aku; Nauha, Elisa; Salorinne, Kirsi; Helttunen, Kaisa; Nissinen, Maija","Structural analysis of two foldamer-type oligoamides ‒ the effect of hydrogen bonding on solvate formation, crystal structures and molecular conformation","CrystEngComm","2012","14","21","7398","","10.1039/c2ce25981h","","","1.54178","CuKα","","0.0982","0.0603","","","0.1393","0.1622","","","","","","1.041","","","","has coordinates,has disorder","180479","2020-10-21","18:00:00",""
"7214821","14.0456","0.0007","19.2718","0.0008","11.4694","0.0005","90","","94.781","0.002","90","","3093.8","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H32 N6 O5 -","- C36 H32 N6 O5 -","- C144 H128 N24 O20 -","4","1","","Suhonen, Aku; Nauha, Elisa; Salorinne, Kirsi; Helttunen, Kaisa; Nissinen, Maija","Structural analysis of two foldamer-type oligoamides ‒ the effect of hydrogen bonding on solvate formation, crystal structures and molecular conformation","CrystEngComm","2012","14","21","7398","","10.1039/c2ce25981h","","","1.54178","CuKα","","0.0985","0.0575","","","0.1253","0.1476","","","","","","1.047","","","","has coordinates,has disorder","180479","2020-10-21","18:00:00",""
"7214822","12.4871","0.0005","16.7057","0.0007","14.7175","0.0007","90","","90.296","0.002","90","","3070.1","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H29 N5 O5 -","- C33 H25 N5 O4 -","- C132 H100 N20 O16 -","4","1","","Suhonen, Aku; Nauha, Elisa; Salorinne, Kirsi; Helttunen, Kaisa; Nissinen, Maija","Structural analysis of two foldamer-type oligoamides ‒ the effect of hydrogen bonding on solvate formation, crystal structures and molecular conformation","CrystEngComm","2012","14","21","7398","","10.1039/c2ce25981h","","","1.54178","CuKα","","0.1001","0.0535","","","0.1242","0.1418","","","","","","0.981","","","","has coordinates,has disorder","180479","2020-10-21","18:00:00",""
"7214823","12.4748","0.0005","16.6624","0.0005","14.8765","0.0006","90","","92.704","0.002","90","","3088.8","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C73 H58 N10 O8 -","- C73 H58 N10 O8 -","- C146 H116 N20 O16 -","2","0.5","","Suhonen, Aku; Nauha, Elisa; Salorinne, Kirsi; Helttunen, Kaisa; Nissinen, Maija","Structural analysis of two foldamer-type oligoamides ‒ the effect of hydrogen bonding on solvate formation, crystal structures and molecular conformation","CrystEngComm","2012","14","21","7398","","10.1039/c2ce25981h","","","1.54178","CuKα","","0.1541","0.0952","","","0.1937","0.2194","","","","","","1.075","","","","has coordinates,has disorder","180479","2020-10-21","18:00:00",""
"7214824","13.2559","0.0004","16.6185","0.0006","13.9389","0.0006","90","","103.633","0.002","90","","2984.13","0.19","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H31 N5 O5 -","- C35 H31 N5 O5 -","- C140 H124 N20 O20 -","4","1","","Suhonen, Aku; Nauha, Elisa; Salorinne, Kirsi; Helttunen, Kaisa; Nissinen, Maija","Structural analysis of two foldamer-type oligoamides ‒ the effect of hydrogen bonding on solvate formation, crystal structures and molecular conformation","CrystEngComm","2012","14","21","7398","","10.1039/c2ce25981h","","","1.54178","CuKα","","0.0891","0.0551","","","0.1237","0.1441","","","","","","1.025","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214825","12.7568","0.0005","16.6186","0.0007","16.5266","0.0007","90","","124.487","0.003","90","","2887.9","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H29 N5 O5 -","- C34 H29 N5 O5 -","- C136 H116 N20 O20 -","4","1","","Suhonen, Aku; Nauha, Elisa; Salorinne, Kirsi; Helttunen, Kaisa; Nissinen, Maija","Structural analysis of two foldamer-type oligoamides ‒ the effect of hydrogen bonding on solvate formation, crystal structures and molecular conformation","CrystEngComm","2012","14","21","7398","","10.1039/c2ce25981h","","","1.54178","CuKα","","0.1302","0.0732","","","0.1622","0.1939","","","","","","1.068","","","","has coordinates,has disorder","180479","2020-10-21","18:00:00",""
"7214826","9.7193","0.0005","18.6564","0.0008","17.5185","0.0008","90","","92.741","0.002","90","","3172.9","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H31 N5 O5 S -","- C35 H31 N5 O5 S -","- C140 H124 N20 O20 S4 -","4","1","","Suhonen, Aku; Nauha, Elisa; Salorinne, Kirsi; Helttunen, Kaisa; Nissinen, Maija","Structural analysis of two foldamer-type oligoamides ‒ the effect of hydrogen bonding on solvate formation, crystal structures and molecular conformation","CrystEngComm","2012","14","21","7398","","10.1039/c2ce25981h","","","1.54178","CuKα","","0.097","0.0527","","","0.1109","0.1299","","","","","","1.022","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214827","12.9687","0.0012","7.9248","0.0007","14.4847","0.0014","90","","106.222","0.001","90","","1429.4","0.2","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C25 H38 Cl Co N4 O11 -","- C25 H38 Cl Co N4 O11 -","- C50 H76 Cl2 Co2 N8 O22 -","2","0.5","","Ding, Cai-Xia; Ni, Jia; Yang, Yu-Hua; Ng, Seik-Weng; Wang, Bing-Wu; Xie, Yong-Shu","Mono-, Tetra- and octanuclear transition metal complexes of in situ generated schiff base ligands containing up to 12 coordinating atoms: syntheses, structures and magnetism","CrystEngComm","2012","14","21","7312","","10.1039/c2ce25966d","","","0.71073","MoKα","","0.0801","0.0607","","","0.1545","0.1687","","","","","","1.067","","","","has coordinates,has disorder","180479","2020-10-21","18:00:00",""
"7214828","17.6242","0.0012","11.8799","0.0008","11.8432","0.0008","90","","108.933","0.001","90","","2345.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15.5 H28 Cl2 N4 Ni O11.5 -","- C15.5 H28 Cl2 N4 Ni O11.5 -","- C62 H112 Cl8 N16 Ni4 O46 -","4","1","","Ding, Cai-Xia; Ni, Jia; Yang, Yu-Hua; Ng, Seik-Weng; Wang, Bing-Wu; Xie, Yong-Shu","Mono-, Tetra- and octanuclear transition metal complexes of in situ generated schiff base ligands containing up to 12 coordinating atoms: syntheses, structures and magnetism","CrystEngComm","2012","14","21","7312","","10.1039/c2ce25966d","","","0.71073","MoKα","","0.0609","0.0432","","","0.1175","0.1316","","","","","","1.037","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7214829","15.1068","0.0016","17.4396","0.0018","20.834","0.002","90","","92.055","0.001","90","","5485.3","1","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38.5 H58 Cl N11 Ni4 O7.5 S3 -","- C38.5 H58 Cl N11 Ni4 O7.5 S3 -","- C154 H232 Cl4 N44 Ni16 O30 S12 -","4","1","","Ding, Cai-Xia; Ni, Jia; Yang, Yu-Hua; Ng, Seik-Weng; Wang, Bing-Wu; Xie, Yong-Shu","Mono-, Tetra- and octanuclear transition metal complexes of in situ generated schiff base ligands containing up to 12 coordinating atoms: syntheses, structures and magnetism","CrystEngComm","2012","14","21","7312","","10.1039/c2ce25966d","","","0.71073","MoKα","","0.1957","0.0699","","","0.1671","0.264","","","","","","1.118","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7214830","27.539","0.0009","27.539","0.0009","13.4753","0.0008","90","","90","","90","","10219.6","0.8","273","2","273","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C70 H112 Cl2 Cu8 N22 O28 S6 -","- C69.996 H112 Cl2 Cu8 N21.996 O28 S5.996 -","- C279.984 H448 Cl8 Cu32 N87.984 O112 S23.984 -","4","0.25","","Ding, Cai-Xia; Ni, Jia; Yang, Yu-Hua; Ng, Seik-Weng; Wang, Bing-Wu; Xie, Yong-Shu","Mono-, Tetra- and octanuclear transition metal complexes of in situ generated schiff base ligands containing up to 12 coordinating atoms: syntheses, structures and magnetism","CrystEngComm","2012","14","21","7312","","10.1039/c2ce25966d","","","0.71073","MoKα","","0.0934","0.079","","","0.2194","0.2401","","","","","","1.029","","","","has coordinates,has disorder","180479","2020-10-21","18:00:00",""
"7214831","11.655","0.001","11.6654","0.0003","16.9859","0.0004","90","","90","","90","","2309.4","0.2","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","4-aminopyridinium_6-fluorosalicylate","4-aminopyridinium_6-fluorosalicylate","","- C12 H11 F N2 O3 -","- C12 H11 F N2 O3 -","- C96 H88 F8 N16 O24 -","8","1","","Montis, Riccardo; Hursthouse, Michael B.","Crystalline adducts of some substituted salicylic acids with 4-aminopyridine, including hydrates and solvates: contact and separated ionic complexes with diverse supramolecular synthons","CrystEngComm","2012","14","21","7466","","10.1039/c2ce26008e","","","0.71073","MoKα","","0.0635","0.0496","","","0.116","0.125","","","","","","1.08","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214832","17.1666","0.0005","3.8501","0.0001","19.561","0.0004","90","","90","","90","","1292.85","0.06","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","4-aminopyridium_5-bromosalicylate_monohydrate","4-aminopyridium_5-bromosalicylate_monohydrate","","- C12 H13 Br N2 O4 -","- C12 H13 Br N2 O4 -","- C48 H52 Br4 N8 O16 -","4","1","","Montis, Riccardo; Hursthouse, Michael B.","Crystalline adducts of some substituted salicylic acids with 4-aminopyridine, including hydrates and solvates: contact and separated ionic complexes with diverse supramolecular synthons","CrystEngComm","2012","14","21","7466","","10.1039/c2ce26008e","","","0.71073","MoKα","","0.0384","0.0282","","","0.0584","0.0629","","","","","","1.089","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214833","4.4","0.005","18.068","0.005","8.581","0.005","90","","96.077","0.005","90","","678.3","0.9","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","4-aminopyridinium 5-iodosalicylate monohydrate","4-aminopyridinium 5-iodosalicylate monohydrate","","- C12 H13 I N2 O4 -","- C12 H13 I N2 O4 -","- C24 H26 I2 N4 O8 -","2","1","","Montis, Riccardo; Hursthouse, Michael B.","Crystalline adducts of some substituted salicylic acids with 4-aminopyridine, including hydrates and solvates: contact and separated ionic complexes with diverse supramolecular synthons","CrystEngComm","2012","14","21","7466","","10.1039/c2ce26008e","","","0.71073","MoKα","","0.0165","0.0162","","","0.0386","0.0388","","","","","","1.066","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214834","10.9737","0.0005","4.5752","0.0002","11.9808","0.0005","90","","96.809","0.003","90","","597.28","0.05","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","4-aminopyridinium 3-nitrosalicylate","","","- C12 H11 N3 O5 -","- C12 H11 N3 O5 -","- C24 H22 N6 O10 -","2","1","","Montis, Riccardo; Hursthouse, Michael B.","Crystalline adducts of some substituted salicylic acids with 4-aminopyridine, including hydrates and solvates: contact and separated ionic complexes with diverse supramolecular synthons","CrystEngComm","2012","14","21","7466","","10.1039/c2ce26008e","","","0.71073","MoKα","","0.0819","0.0587","","","0.1093","0.1219","","","","","","1.119","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214835","15.1705","0.0007","4.6669","0.0002","19.6506","0.0008","90","","104.734","0.002","90","","1345.5","0.1","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","4-aminopyridinium_5-acetylaminosalicylate","4-aminopyridinium_5-acetylaminosalicylate","","- C14 H15 N3 O4 -","- C14 H15 N3 O4 -","- C56 H60 N12 O16 -","4","1","","Montis, Riccardo; Hursthouse, Michael B.","Crystalline adducts of some substituted salicylic acids with 4-aminopyridine, including hydrates and solvates: contact and separated ionic complexes with diverse supramolecular synthons","CrystEngComm","2012","14","21","7466","","10.1039/c2ce26008e","","","0.71073","MoKα","","0.0741","0.0542","","","0.1083","0.1212","","","","","","1.062","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214836","23.3169","0.0011","8.1015","0.0004","18.0588","0.0008","90","","110.986","0.002","90","","3185.1","0.3","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","4-aminopyridium_5-aminosalicylate_pyridine","4-aminopyridium_5-aminosalicylate_pyridine","","- C17 H18 N4 O3 -","- C17 H18 N4 O3 -","- C136 H144 N32 O24 -","8","1","","Montis, Riccardo; Hursthouse, Michael B.","Crystalline adducts of some substituted salicylic acids with 4-aminopyridine, including hydrates and solvates: contact and separated ionic complexes with diverse supramolecular synthons","CrystEngComm","2012","14","21","7466","","10.1039/c2ce26008e","","","0.71073","MoKα","","0.1426","0.0879","","","0.1487","0.1762","","","","","","1.119","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214837","11.9815","0.0005","7.9626","0.0002","12.4836","0.0005","90","","100.4","0.002","90","","1171.42","0.07","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-aminopyridinium_5-chlorosalicylate","4-aminopyridinium_5-chlorosalicylate","","- C12 H11 Cl N2 O3 -","- C12 H11 Cl N2 O3 -","- C48 H44 Cl4 N8 O12 -","4","1","","Montis, Riccardo; Hursthouse, Michael B.","Crystalline adducts of some substituted salicylic acids with 4-aminopyridine, including hydrates and solvates: contact and separated ionic complexes with diverse supramolecular synthons","CrystEngComm","2012","14","21","7466","","10.1039/c2ce26008e","","","0.71073","MoKα","","0.0619","0.0527","","","0.115","0.1191","","","","","","1.103","","","","has coordinates,has disorder","180479","2020-10-21","18:00:00",""
"7214838","4.4573","0.0005","17.317","0.002","8.484","0.0007","90","","97.333","0.007","90","","649.5","0.12","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","4-aminopyridinium_5-chlorosalicylate_hydrate","4-aminopyridinium_5-chlorosalicylate_hydrate","","- C12 H13 Cl N2 O4 -","- C12 H13 Cl N2 O4 -","- C24 H26 Cl2 N4 O8 -","2","1","","Montis, Riccardo; Hursthouse, Michael B.","Crystalline adducts of some substituted salicylic acids with 4-aminopyridine, including hydrates and solvates: contact and separated ionic complexes with diverse supramolecular synthons","CrystEngComm","2012","14","21","7466","","10.1039/c2ce26008e","","","0.71073","MoKα","","0.102","0.0578","","","0.1126","0.1316","","","","","","0.992","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214839","10.7838","0.0004","8.5407","0.0002","12.1504","0.0005","90","","95.099","0.002","90","","1114.64","0.07","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-aminopyridinium_5-fluorosalicylate","4-aminopyridinium_5-fluorosalicylate","","- C12 H11 F N2 O3 -","- C12 H11 F N2 O3 -","- C48 H44 F4 N8 O12 -","4","1","","Montis, Riccardo; Hursthouse, Michael B.","Crystalline adducts of some substituted salicylic acids with 4-aminopyridine, including hydrates and solvates: contact and separated ionic complexes with diverse supramolecular synthons","CrystEngComm","2012","14","21","7466","","10.1039/c2ce26008e","","","0.71073","MoKα","","0.0629","0.0437","","","0.1079","0.1198","","","","","","1.063","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214840","13.6431","0.0003","8.1006","0.0002","12.4428","0.0002","90","","112.279","0.001","90","","1272.49","0.05","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-aminopyridinium_5-iodosalicylate","4-aminopyridinium_5-iodosalicylate","","- C12 H11 I N2 O3 -","- C12 H11 I N2 O3 -","- C48 H44 I4 N8 O12 -","4","1","","Montis, Riccardo; Hursthouse, Michael B.","Crystalline adducts of some substituted salicylic acids with 4-aminopyridine, including hydrates and solvates: contact and separated ionic complexes with diverse supramolecular synthons","CrystEngComm","2012","14","21","7466","","10.1039/c2ce26008e","","","0.71073","MoKα","","0.0258","0.0235","","","0.0515","0.0527","","","","","","1.096","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214841","18.657","0.001","8.6657","0.0005","10.9293","0.0005","90","","102.573","0.004","90","","1724.63","0.16","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-aminopyridium_5-iodosalicylate_pyridine","4-aminopyridium_5-iodosalicylate_pyridine","","- C17 H16 I N3 O3 -","- C17 H16 I N3 O3 -","- C68 H64 I4 N12 O12 -","4","1","","Montis, Riccardo; Hursthouse, Michael B.","Crystalline adducts of some substituted salicylic acids with 4-aminopyridine, including hydrates and solvates: contact and separated ionic complexes with diverse supramolecular synthons","CrystEngComm","2012","14","21","7466","","10.1039/c2ce26008e","","","0.71073","MoKα","","0.0579","0.0433","","","0.0817","0.0901","","","","","","1.112","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214842","21.8619","0.0015","15.0658","0.0009","3.9918","0.0003","90","","90","","90","","1314.77","0.16","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","4-aminopyridinium_5-methoxysalicylate_monohydrate","4-aminopyridinium_5-methoxysalicylate_monohydrate","","- C13 H16 N2 O5 -","- C13 H16 N2 O5 -","- C52 H64 N8 O20 -","4","1","","Montis, Riccardo; Hursthouse, Michael B.","Crystalline adducts of some substituted salicylic acids with 4-aminopyridine, including hydrates and solvates: contact and separated ionic complexes with diverse supramolecular synthons","CrystEngComm","2012","14","21","7466","","10.1039/c2ce26008e","","","0.71073","MoKα","","0.0716","0.0472","","","0.1007","0.1128","","","","","","1.041","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214843","13.5414","0.0003","15.0598","0.0002","13.0106","0.0002","90","","108.645","0.001","90","","2514.01","0.08","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-aminopyridinium_5-methylsalicylate","4-aminopyridinium_5-methylsalicylate","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C104 H112 N16 O24 -","8","2","","Montis, Riccardo; Hursthouse, Michael B.","Crystalline adducts of some substituted salicylic acids with 4-aminopyridine, including hydrates and solvates: contact and separated ionic complexes with diverse supramolecular synthons","CrystEngComm","2012","14","21","7466","","10.1039/c2ce26008e","","","0.71073","MoKα","","0.0553","0.0432","","","0.1003","0.1071","","","","","","1.029","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214844","3.7777","0.0001","12.5991","0.0005","25.0825","0.001","90","","90","","90","","1193.82","0.07","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","4-aminopyridinium 5-nitrosalicylate","4-aminopyridinium 5-nitrosalicylate","","- C12 H11 N3 O5 -","- C12 H11 N3 O5 -","- C48 H44 N12 O20 -","4","1","","Montis, Riccardo; Hursthouse, Michael B.","Crystalline adducts of some substituted salicylic acids with 4-aminopyridine, including hydrates and solvates: contact and separated ionic complexes with diverse supramolecular synthons","CrystEngComm","2012","14","21","7466","","10.1039/c2ce26008e","","","0.71073","MoKα","","0.0683","0.0525","","","0.1131","0.1218","","","","","","1.109","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214845","10.402","0.002","18.512","0.004","12.824","0.003","90","","100.298","0.003","90","","2429.6","0.9","293","2","291","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C36 H56 Ag3 B3 F12 N8 O4 -","- C36 H56 Ag3 B3 F12 N8 O4 -","- C72 H112 Ag6 B6 F24 N16 O8 -","2","1","","Cheng, Lin; Zhang, Limin; Cao, Qingna; Gou, Shaohua; Zhang, Xiuying; Fang, Lei","Temperature-induced chiral Ag(i) coordination polymers with structural variation from 1D to 2D: synthesis, luminescence and SHG response","CrystEngComm","2012","14","21","7502","","10.1039/c2ce26198g","","","0.71073","MoKα","","0.1107","0.0694","","","0.0869","0.0981","","","","","","1.097","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214846","13.6526","0.0014","17.5146","0.0017","19.2169","0.0019","90","","93.667","0.001","90","","4585.7","0.8","123","2","123","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C73 H104 Ag5 B4 F16 N17 O6 -","- C73 H104 Ag5 B4 F16 N17 O6 -","- C146 H208 Ag10 B8 F32 N34 O12 -","2","1","","Cheng, Lin; Zhang, Limin; Cao, Qingna; Gou, Shaohua; Zhang, Xiuying; Fang, Lei","Temperature-induced chiral Ag(i) coordination polymers with structural variation from 1D to 2D: synthesis, luminescence and SHG response","CrystEngComm","2012","14","21","7502","","10.1039/c2ce26198g","","","0.71073","MoKα","","0.0921","0.0572","","","0.1241","0.1448","","","","","","1.017","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214847","23.97","0.03","15.082","0.016","13.04","0.014","90","","111.702","0.01","90","","4380","9","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C36 H48 Ag2.5 B2.5 F10 N8 -","- C36 H48 Ag2.5 B2.5 F10 N8 -","- C144 H192 Ag10 B10 F40 N32 -","4","1","","Cheng, Lin; Zhang, Limin; Cao, Qingna; Gou, Shaohua; Zhang, Xiuying; Fang, Lei","Temperature-induced chiral Ag(i) coordination polymers with structural variation from 1D to 2D: synthesis, luminescence and SHG response","CrystEngComm","2012","14","21","7502","","10.1039/c2ce26198g","","","0.71073","MoKα","","0.1479","0.1228","","","0.2479","0.2669","","","","","","1.062","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214848","23.966","0.003","15.116","0.002","13.0659","0.0018","90","","111.746","0.001","90","","4396.5","1","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C36 H48 Ag2.5 Cl2.5 N8 O10 -","- C36 H48 Ag2.5 Cl2.5 N8 O10 -","- C144 H192 Ag10 Cl10 N32 O40 -","4","1","","Cheng, Lin; Zhang, Limin; Cao, Qingna; Gou, Shaohua; Zhang, Xiuying; Fang, Lei","Temperature-induced chiral Ag(i) coordination polymers with structural variation from 1D to 2D: synthesis, luminescence and SHG response","CrystEngComm","2012","14","21","7502","","10.1039/c2ce26198g","","","0.71073","MoKα","","0.0935","0.0821","","","0.173","0.1815","","","","","","1.078","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214849","3.642","0.0003","3.642","0.0003","11.814","0.002","90","","90","","90","","156.7","0.03","293","2","293","2","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- Al Ca Er O4 -","- Al Ca Er O4 -","- Al2 Ca2 Er2 O8 -","2","0.0625","","Zhu, Zhaojie; Zeng, Huiyi; Li, Jianfu; You, Zhenyu; Wang, Yan; Huang, Zixiang; Tu, Chaoyang","Growth, structure and spectral properties of a novel crystal CaErAlO4 for 2.7 μm lasers","CrystEngComm","2012","14","21","7423","","10.1039/c2ce26013a","","","0.71073","MoKα","","0.0313","0.0278","","","0.0596","0.0611","","","","","","1.093","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214850","8.4319","0.0013","11.4199","0.0018","12.3466","0.0019","115.41","0.006","95.966","0.007","100.016","0.007","1036","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 F N3 O6 S -","- C22 H18 F N3 O6 S -","- C44 H36 F2 N6 O12 S2 -","2","1","","Wales, Craig; Thomas, Lynne H.; Wilson, Chick C.","Tautomerisation and polymorphism in molecular complexes of piroxicam with mono-substituted benzoic acids","CrystEngComm","2012","14","21","7264","","10.1039/c2ce26069g","","","0.71073","MoKα","","0.0683","0.0441","","","0.0978","0.1062","","","","","","0.961","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214851","8.512","0.003","9.602","0.003","14.26","0.005","82.134","0.023","75.238","0.022","73.081","0.022","1075.8","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H21 N3 O6 S -","- C23 H21 N3 O6 S -","- C46 H42 N6 O12 S2 -","2","1","","Wales, Craig; Thomas, Lynne H.; Wilson, Chick C.","Tautomerisation and polymorphism in molecular complexes of piroxicam with mono-substituted benzoic acids","CrystEngComm","2012","14","21","7264","","10.1039/c2ce26069g","","","0.71073","MoKα","","0.0651","0.041","","","0.0939","0.101","","","","","","1.032","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214852","8.2526","0.0008","11.0759","0.001","13.7895","0.0018","101.575","0.005","105.505","0.006","111.738","0.004","1063.1","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 Br N3 O6 S -","- C22 H18 Br N3 O6 S -","- C44 H36 Br2 N6 O12 S2 -","2","1","","Wales, Craig; Thomas, Lynne H.; Wilson, Chick C.","Tautomerisation and polymorphism in molecular complexes of piroxicam with mono-substituted benzoic acids","CrystEngComm","2012","14","21","7264","","10.1039/c2ce26069g","","","0.71073","MoKα","","0.047","0.0305","","","0.0629","0.0666","","","","","","0.959","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214853","8.216","0.0005","10.957","0.0007","13.7261","0.0009","67.227","0.004","74.686","0.004","68.598","0.004","1049.85","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 Cl N3 O6 S -","- C22 H18 Cl N3 O6 S -","- C44 H36 Cl2 N6 O12 S2 -","2","1","","Wales, Craig; Thomas, Lynne H.; Wilson, Chick C.","Tautomerisation and polymorphism in molecular complexes of piroxicam with mono-substituted benzoic acids","CrystEngComm","2012","14","21","7264","","10.1039/c2ce26069g","","","0.71073","MoKα","","0.0851","0.0454","","","0.0928","0.1014","","","","","","0.871","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214854","8.467","0.0006","11.1895","0.0009","12.295","0.0009","114.729","0.004","96.555","0.004","98.491","0.004","1026.17","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 F N3 O6 S -","- C22 H18 F N3 O6 S -","- C44 H36 F2 N6 O12 S2 -","2","1","","Wales, Craig; Thomas, Lynne H.; Wilson, Chick C.","Tautomerisation and polymorphism in molecular complexes of piroxicam with mono-substituted benzoic acids","CrystEngComm","2012","14","21","7264","","10.1039/c2ce26069g","","","0.71073","MoKα","","0.0682","0.0417","","","0.0937","0.1025","","","","","","0.947","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214855","8.2304","0.0004","10.8476","0.0006","13.7358","0.0007","68.2669","0.0028","75.0863","0.0028","69.1073","0.0027","1053.11","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 N4 O8 S -","- C22 H18 N4 O8 S -","- C44 H36 N8 O16 S2 -","2","1","","Wales, Craig; Thomas, Lynne H.; Wilson, Chick C.","Tautomerisation and polymorphism in molecular complexes of piroxicam with mono-substituted benzoic acids","CrystEngComm","2012","14","21","7264","","10.1039/c2ce26069g","","","0.71073","MoKα","","0.062","0.038","","","0.0848","0.0928","","","","","","0.875","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214856","24.4459","0.0003","24.4459","0.0003","6.9701","0.0001","90","","90","","90","","4165.35","0.09","100","2","100","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C22 H18 F N3 O6 S -","- C22 H18 F N3 O6 S -","- C176 H144 F8 N24 O48 S8 -","8","1","","Wales, Craig; Thomas, Lynne H.; Wilson, Chick C.","Tautomerisation and polymorphism in molecular complexes of piroxicam with mono-substituted benzoic acids","CrystEngComm","2012","14","21","7264","","10.1039/c2ce26069g","","","0.71073","MoKα","","0.0998","0.044","","","0.0901","0.1058","","","","","","0.956","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214857","6.8637","0.0006","11.6363","0.0011","13.8047","0.0012","83.313","0.004","79.158","0.005","73.738","0.005","1037.17","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 N4 O6 S -","- C22 H20 N4 O6 S -","- C44 H40 N8 O12 S2 -","2","1","","Wales, Craig; Thomas, Lynne H.; Wilson, Chick C.","Tautomerisation and polymorphism in molecular complexes of piroxicam with mono-substituted benzoic acids","CrystEngComm","2012","14","21","7264","","10.1039/c2ce26069g","","","0.71073","MoKα","","0.077","0.0476","","","0.1003","0.1137","","","","","","1.051","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214858","8.828","0.0005","10.9297","0.0006","12.2953","0.0011","105.494","0.004","98.381","0.004","105.396","0.003","1071.81","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 Br N3 O6 S -","- C22 H18 Br N3 O6 S -","- C44 H36 Br2 N6 O12 S2 -","2","1","","Wales, Craig; Thomas, Lynne H.; Wilson, Chick C.","Tautomerisation and polymorphism in molecular complexes of piroxicam with mono-substituted benzoic acids","CrystEngComm","2012","14","21","7264","","10.1039/c2ce26069g","","","0.71073","MoKα","","0.0481","0.0369","","","0.0926","0.0969","","","","","","1.028","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214859","19.768","0.017","6.917","0.006","31.56","0.03","90","","100.693","0.012","90","","4240","7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Cl N3 O6 S -","- C22 H18 Cl N3 O6 S -","- C176 H144 Cl8 N24 O48 S8 -","8","2","","Wales, Craig; Thomas, Lynne H.; Wilson, Chick C.","Tautomerisation and polymorphism in molecular complexes of piroxicam with mono-substituted benzoic acids","CrystEngComm","2012","14","21","7264","","10.1039/c2ce26069g","","","0.6889","synchrotron","","0.1874","0.1103","","","0.2314","0.2803","","","","","","1.094","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214860","10.8016","0.0003","20.9659","0.0006","9.2105","0.0002","90","","95.787","0.002","90","","2075.23","0.09","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 F N3 O6 S -","- C22 H18 F N3 O6 S -","- C88 H72 F4 N12 O24 S4 -","4","1","","Wales, Craig; Thomas, Lynne H.; Wilson, Chick C.","Tautomerisation and polymorphism in molecular complexes of piroxicam with mono-substituted benzoic acids","CrystEngComm","2012","14","21","7264","","10.1039/c2ce26069g","","","0.71073","MoKα","","0.0927","0.0568","","","0.117","0.1325","","","","","","1.067","","","","has coordinates,has disorder","180479","2020-10-21","18:00:00",""
"7214861","11.5454","0.0005","9.2118","0.0004","19.8419","0.0009","90","","102.438","0.002","90","","2060.74","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 N3 O7 S -","- C22 H19 N3 O7 S -","- C88 H76 N12 O28 S4 -","4","1","","Wales, Craig; Thomas, Lynne H.; Wilson, Chick C.","Tautomerisation and polymorphism in molecular complexes of piroxicam with mono-substituted benzoic acids","CrystEngComm","2012","14","21","7264","","10.1039/c2ce26069g","","","0.71073","MoKα","","0.1301","0.0506","","","0.0839","0.1044","","","","","","0.956","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214862","8.0433","0.0007","11.0546","0.0008","13.8361","0.0011","99.6457","0.0038","106.649","0.0041","107.631","0.0042","1078.85","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 N4 O8 S -","- C22 H18 N4 O8 S -","- C44 H36 N8 O16 S2 -","2","1","","Wales, Craig; Thomas, Lynne H.; Wilson, Chick C.","Tautomerisation and polymorphism in molecular complexes of piroxicam with mono-substituted benzoic acids","CrystEngComm","2012","14","21","7264","","10.1039/c2ce26069g","","","0.71073","MoKα","","0.0834","0.0519","","","0.112","0.1251","","","","","","1.02","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214863","10.415","0.011","21.17","0.02","9.557","0.01","90","","100.053","0.013","90","","2075","4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 F N3 O6 S -","- C22 H18 F N3 O6 S -","- C88 H72 F4 N12 O24 S4 -","4","1","","Wales, Craig; Thomas, Lynne H.; Wilson, Chick C.","Tautomerisation and polymorphism in molecular complexes of piroxicam with mono-substituted benzoic acids","CrystEngComm","2012","14","21","7264","","10.1039/c2ce26069g","","","0.6889","synchrotron","","0.1437","0.0952","","","0.2475","0.2938","","","","","","1.044","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214864","9.1121","0.0011","9.9763","0.0013","11.9501","0.0016","78.5115","0.0045","86.2011","0.0044","88.3753","0.0045","1062.1","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H21 N3 O8 S -","- C22 H21 N3 O8 S -","- C44 H42 N6 O16 S2 -","2","1","","Wales, Craig; Thomas, Lynne H.; Wilson, Chick C.","Tautomerisation and polymorphism in molecular complexes of piroxicam with mono-substituted benzoic acids","CrystEngComm","2012","14","21","7264","","10.1039/c2ce26069g","","","0.71073","MoKα","","0.1032","0.0471","","","0.0923","0.107","","","","","","0.908","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214865","8.4985","0.0002","9.8813","0.0002","12.5408","0.0003","93.602","0.001","104.092","0.001","112.153","0.001","931.91","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H37 N7 O10 S2 -","- C40 H37 N7 O10 S2 -","- C40 H37 N7 O10 S2 -","1","0.5","","Wales, Craig; Thomas, Lynne H.; Wilson, Chick C.","Tautomerisation and polymorphism in molecular complexes of piroxicam with mono-substituted benzoic acids","CrystEngComm","2012","14","21","7264","","10.1039/c2ce26069g","","","0.71073","MoKα","","0.0929","0.0562","","","0.1316","0.1493","","","","","","1.071","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214866","9.4317","0.0002","11.394","0.0003","20.4344","0.0004","90","","99.979","0.001","90","","2162.76","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 N3 O6 S -","- C23 H21 N3 O6 S -","- C92 H84 N12 O24 S4 -","4","1","","Wales, Craig; Thomas, Lynne H.; Wilson, Chick C.","Tautomerisation and polymorphism in molecular complexes of piroxicam with mono-substituted benzoic acids","CrystEngComm","2012","14","21","7264","","10.1039/c2ce26069g","","","0.71073","MoKα","","0.0881","0.052","","","0.1085","0.1255","","","","","","0.994","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214867","6.7753","0.0003","11.4738","0.0004","13.7702","0.0006","80.079","0.002","81.802","0.002","76.925","0.002","1021.12","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 F N3 O6 S -","- C22 H18 F N3 O6 S -","- C44 H36 F2 N6 O12 S2 -","2","1","","Wales, Craig; Thomas, Lynne H.; Wilson, Chick C.","Tautomerisation and polymorphism in molecular complexes of piroxicam with mono-substituted benzoic acids","CrystEngComm","2012","14","21","7264","","10.1039/c2ce26069g","","","0.71073","MoKα","","0.0498","0.0358","","","0.093","0.0985","","","","","","0.989","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214868","9.5744","0.0012","10.4949","0.0016","12.5497","0.0016","66.362","0.005","73.077","0.004","75.292","0.005","1091.6","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H21 N3 O6 S -","- C23 H21 N3 O6 S -","- C46 H42 N6 O12 S2 -","2","1","","Wales, Craig; Thomas, Lynne H.; Wilson, Chick C.","Tautomerisation and polymorphism in molecular complexes of piroxicam with mono-substituted benzoic acids","CrystEngComm","2012","14","21","7264","","10.1039/c2ce26069g","","","0.71075","MoKα","","0.1177","0.0651","","","0.1345","0.1605","","","","","","1.033","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214869","11.519","0.002","12.573","0.002","21.345","0.004","85.877","0.003","76.069","0.004","74.179","0.004","2886.7","0.9","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C18 H98 Ce2 Cu3 N12 O95 Si2 W22 -","- C18 H60 Ce2 Cu3 N12 O95 Si2 W22 -","- C18 H60 Ce2 Cu3 N12 O95 Si2 W22 -","1","0.5","","Zhao, Junwei; Luo, Jie; Chen, Lijuan; Yuan, Jing; Li, Huiying; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Novel 1-D double-chain organic‒inorganic hybrid polyoxotungstates constructed from dimeric copper‒lanthanide heterometallic silicotungstate units","CrystEngComm","2012","14","23","7981","","10.1039/c2ce26007g","","","0.71073","MoKα","","0.0783","0.0578","","","0.1473","0.1572","","","","","","1.022","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214870","11.4614","0.0019","12.537","0.002","21.337","0.003","86.035","0.003","76.034","0.003","74.011","0.003","2860.2","0.8","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C18 H100 Cu3 N12 O96 Pr2 Si2 W22 -","- C18 H60 Cu3 N12 O96 Pr2 Si2 W22 -","- C18 H60 Cu3 N12 O96 Pr2 Si2 W22 -","1","0.5","","Zhao, Junwei; Luo, Jie; Chen, Lijuan; Yuan, Jing; Li, Huiying; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Novel 1-D double-chain organic‒inorganic hybrid polyoxotungstates constructed from dimeric copper‒lanthanide heterometallic silicotungstate units","CrystEngComm","2012","14","23","7981","","10.1039/c2ce26007g","","","0.71073","MoKα","","0.0882","0.0603","","","0.143","0.1516","","","","","","1.02","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214871","11.44","0.006","12.59","0.007","21.23","0.012","85.652","0.011","76.025","0.01","73.8","0.011","2849","3","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C18 H100 Cu3 N12 Nd2 O96 Si2 W22 -","- C18 H60 Cu3 N12 Nd2 O96 Si2 W22 -","- C18 H60 Cu3 N12 Nd2 O96 Si2 W22 -","1","0.5","","Zhao, Junwei; Luo, Jie; Chen, Lijuan; Yuan, Jing; Li, Huiying; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Novel 1-D double-chain organic‒inorganic hybrid polyoxotungstates constructed from dimeric copper‒lanthanide heterometallic silicotungstate units","CrystEngComm","2012","14","23","7981","","10.1039/c2ce26007g","","","0.71073","MoKα","","0.177","0.1103","","","0.2068","0.2197","","","","","","1.065","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214872","11.439","0.003","12.594","0.004","21.357","0.006","85.723","0.006","75.892","0.006","73.965","0.007","2867.8","1.4","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C18 H100 Cu3 N12 O96 Si2 Sm2 W22 -","- C18 H60 Cu3 N12 O96 Si2 Sm2 W22 -","- C18 H60 Cu3 N12 O96 Si2 Sm2 W22 -","1","0.5","","Zhao, Junwei; Luo, Jie; Chen, Lijuan; Yuan, Jing; Li, Huiying; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Novel 1-D double-chain organic‒inorganic hybrid polyoxotungstates constructed from dimeric copper‒lanthanide heterometallic silicotungstate units","CrystEngComm","2012","14","23","7981","","10.1039/c2ce26007g","","","0.71073","MoKα","","0.1298","0.071","","","0.1493","0.1627","","","","","","1.054","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214873","11.3868","0.0011","12.5373","0.0012","21.279","0.002","85.419","0.002","75.718","0.002","74.056","0.002","2830.4","0.5","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C18 H100 Cu3 Eu2 N12 O96 Si2 W22 -","- C18 H60 Cu3 Eu2 N12 O96 Si2 W22 -","- C18 H60 Cu3 Eu2 N12 O96 Si2 W22 -","1","0.5","","Zhao, Junwei; Luo, Jie; Chen, Lijuan; Yuan, Jing; Li, Huiying; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Novel 1-D double-chain organic‒inorganic hybrid polyoxotungstates constructed from dimeric copper‒lanthanide heterometallic silicotungstate units","CrystEngComm","2012","14","23","7981","","10.1039/c2ce26007g","","","0.71073","MoKα","","0.1062","0.0709","","","0.1464","0.1566","","","","","","1.045","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214874","11.383","0.005","12.571","0.006","21.312","0.01","85.704","0.008","75.841","0.009","73.988","0.009","2842","2","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C18 H98 Cu3 Gd2 N12 O95 Si2 W22 -","- C18 H60 Cu3 Gd2 N12 O95 Si2 W22 -","- C18 H60 Cu3 Gd2 N12 O95 Si2 W22 -","1","0.5","","Zhao, Junwei; Luo, Jie; Chen, Lijuan; Yuan, Jing; Li, Huiying; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Novel 1-D double-chain organic‒inorganic hybrid polyoxotungstates constructed from dimeric copper‒lanthanide heterometallic silicotungstate units","CrystEngComm","2012","14","23","7981","","10.1039/c2ce26007g","","","0.71073","MoKα","","0.115","0.0784","","","0.1686","0.1795","","","","","","1.021","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214875","11.3793","0.001","12.5601","0.0011","21.3419","0.0018","85.533","0.002","75.628","0.002","74.182","0.002","2842.8","0.4","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C18 H96 Cu3 N12 O94 Si2 Tb2 W22 -","- C18 H60 Cu3 N12 O94 Si2 Tb2 W22 -","- C18 H60 Cu3 N12 O94 Si2 Tb2 W22 -","1","0.5","","Zhao, Junwei; Luo, Jie; Chen, Lijuan; Yuan, Jing; Li, Huiying; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Novel 1-D double-chain organic‒inorganic hybrid polyoxotungstates constructed from dimeric copper‒lanthanide heterometallic silicotungstate units","CrystEngComm","2012","14","23","7981","","10.1039/c2ce26007g","","","0.71073","MoKα","","0.0825","0.0621","","","0.1524","0.1581","","","","","","1.076","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214876","11.363","0.006","12.518","0.005","21.355","0.004","85.392","0.006","75.32","0.003","74.299","0.003","2828.6","1.9","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C18 H96 Cu3 Dy2 N12 O94 Si2 W22 -","- C18 H60 Cu3 Dy2 N12 O94 Si2 W22 -","- C18 H60 Cu3 Dy2 N12 O94 Si2 W22 -","1","0.5","","Zhao, Junwei; Luo, Jie; Chen, Lijuan; Yuan, Jing; Li, Huiying; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Novel 1-D double-chain organic‒inorganic hybrid polyoxotungstates constructed from dimeric copper‒lanthanide heterometallic silicotungstate units","CrystEngComm","2012","14","23","7981","","10.1039/c2ce26007g","","","0.71073","MoKα","","0.1421","0.1045","","","0.2307","0.2432","","","","","","1.031","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214877","11.33","0.002","12.531","0.002","21.364","0.004","85.211","0.003","75.145","0.003","74.548","0.003","2825.5","0.9","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C18 H98 Cu3 Er2 N12 O95 Si2 W22 -","- C18 H60 Cu3 Er2 N12 O95 Si2 W22 -","- C18 H60 Cu3 Er2 N12 O95 Si2 W22 -","1","0.5","","Zhao, Junwei; Luo, Jie; Chen, Lijuan; Yuan, Jing; Li, Huiying; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Novel 1-D double-chain organic‒inorganic hybrid polyoxotungstates constructed from dimeric copper‒lanthanide heterometallic silicotungstate units","CrystEngComm","2012","14","23","7981","","10.1039/c2ce26007g","","","0.71073","MoKα","","0.1197","0.0876","","","0.1728","0.181","","","","","","1.041","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214878","12.313","0.002","22.626","0.005","34.702","0.007","90","","90","","90","","9668","3","298","2","298","2","","","","","","","","7","F d d d :2","-F 2uv 2vw","70","","","","- C40 H28 Cl3 N12 O22 Sm Zn6 -","- C40 H28 Cl3 N12 O22 Sm Zn6 -","- C320 H224 Cl24 N96 O176 Sm8 Zn48 -","8","0.25","","Cai, Song-Liang; Zheng, Sheng-Run; Wen, Zhen-Zhen; Fan, Jun; Zhang, Wei-Guang","Construction of luminescent three-dimensional Ln(iii)‒Zn(ii) heterometallic coordination polymers based on 2-pyridyl imidazole dicarboxylate","CrystEngComm","2012","14","23","8236","","10.1039/c2ce25803j","","","0.71073","MoKα","","0.0787","0.0606","","","0.2122","0.2352","","","","","","1.051","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214879","12.284","0.002","22.733","0.004","34.4","0.006","90","","90","","90","","9606","3","173","2","173","2","","","","","","","","7","F d d d :2","-F 2uv 2vw","70","","","","- C40 H28 Cl3 Eu N12 O22 Zn6 -","- C40 H28 Cl3 Eu N12 O22 Zn6 -","- C320 H224 Cl24 Eu8 N96 O176 Zn48 -","8","0.25","","Cai, Song-Liang; Zheng, Sheng-Run; Wen, Zhen-Zhen; Fan, Jun; Zhang, Wei-Guang","Construction of luminescent three-dimensional Ln(iii)‒Zn(ii) heterometallic coordination polymers based on 2-pyridyl imidazole dicarboxylate","CrystEngComm","2012","14","23","8236","","10.1039/c2ce25803j","","","1.54178","CuKα","","0.0512","0.0499","","","0.1629","0.1651","","","","","","1.062","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214880","12.1678","0.0005","22.691","0.0008","34.3938","0.0014","90","","90","","90","","9496.1","0.6","173","2","173","2","","","","","","","","7","F d d d :2","-F 2uv 2vw","70","","","","- C40 H28 Cl3 N12 O22 Tb Zn6 -","- C40 H28 Cl3 N12 O22 Tb Zn6 -","- C320 H224 Cl24 N96 O176 Tb8 Zn48 -","8","0.25","","Cai, Song-Liang; Zheng, Sheng-Run; Wen, Zhen-Zhen; Fan, Jun; Zhang, Wei-Guang","Construction of luminescent three-dimensional Ln(iii)‒Zn(ii) heterometallic coordination polymers based on 2-pyridyl imidazole dicarboxylate","CrystEngComm","2012","14","23","8236","","10.1039/c2ce25803j","","","1.54178","CuKα","","0.0525","0.0493","","","0.1634","0.1701","","","","","","0.981","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214881","13.573","0.0018","11.7732","0.0016","12.9248","0.0017","90","","117.653","0.001","90","","1829.4","0.4","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 N3 O14 S Tb Zn -","- C10 H16 N3 O14 S Tb Zn -","- C40 H64 N12 O56 S4 Tb4 Zn4 -","4","1","","Cai, Song-Liang; Zheng, Sheng-Run; Wen, Zhen-Zhen; Fan, Jun; Zhang, Wei-Guang","Construction of luminescent three-dimensional Ln(iii)‒Zn(ii) heterometallic coordination polymers based on 2-pyridyl imidazole dicarboxylate","CrystEngComm","2012","14","23","8236","","10.1039/c2ce25803j","","","0.71073","MoKα","","0.031","0.0258","","","0.0572","0.0626","","","","","","1.089","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214882","7.9573","0.0003","16.6249","0.0005","20.7201","0.0007","90","","96.423","0.003","90","","2723.84","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Cl4 K O3 -","- C10 H8 Cl4 K O3 -","- C80 H64 Cl32 K8 O24 -","8","2","","Molčanov, Krešimir; Kojić-Prodić, Biserka; Babić, Darko; Pajić, Damir; Novosel, Nikolina; Zadro, Krešo","Temperature induced reversible structural and magnetic changes in a crystal of tetrachlorosemiquinone anion radical","CrystEngComm","2012","14","23","7958","","10.1039/c2ce25893e","","x-ray","1.54179","CuKα","","","0.0567","","","","0.1576","","","","","","1.126","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214883","4.0571","0.0001","16.5931","0.0004","20.7334","0.0004","90","","96.925","0.002","90","","1385.59","0.06","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Cl4 K O3 -","- C10 H8 Cl4 K O3 -","- C40 H32 Cl16 K4 O12 -","4","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka; Babić, Darko; Pajić, Damir; Novosel, Nikolina; Zadro, Krešo","Temperature induced reversible structural and magnetic changes in a crystal of tetrachlorosemiquinone anion radical","CrystEngComm","2012","14","23","7958","","10.1039/c2ce25893e","","x-ray","1.54179","CuKα","","","0.0387","","","","0.1033","","","","","","1.016","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214884","3.7932","0.0002","16.7161","0.0006","8.8555","0.0003","90","","100.817","0.004","90","","551.53","0.04","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C8 H7 Cl4 N2 O2 -","- C8 H7 Cl4 N2 O2 -","- C16 H14 Cl8 N4 O4 -","2","0.5","","Molčanov, Krešimir; Kojić-Prodić, Biserka; Babić, Darko; Pajić, Damir; Novosel, Nikolina; Zadro, Krešo","Temperature induced reversible structural and magnetic changes in a crystal of tetrachlorosemiquinone anion radical","CrystEngComm","2012","14","23","7958","","10.1039/c2ce25893e","","x-ray","1.54179","CuKα","","","0.0703","","","","0.1931","","","","","","1.076","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214885","6.919","0.003","21.908","0.01","14.415","0.005","90","","112.974","0.017","90","","2011.7","1.5","291","2","291","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 F6 N4 O P S -","- C18 H15 F6 N4 O P S -","- C72 H60 F24 N16 O4 P4 S4 -","4","1","","Xu, Feng; Peng, Yu-Xin; Hu, Bin; Tao, Tao; Huang, Wei","Comparative structural and spectral analyses for mononuclear and dinuclear metal complexes of 2-thiophen and 2-(5-bromothiophen) imidazo[4,5-f][1,10]phenanthroline","CrystEngComm","2012","14","23","8023","","10.1039/c2ce26001h","","","0.71073","MoKα","","0.1414","0.0752","","","0.1866","0.2124","","","","","","0.848","","","","has coordinates,has disorder","180479","2020-10-21","18:00:00",""
"7214886","9.325","0.008","10.985","0.009","11.008","0.009","99.61","0.011","105.84","0.01","109.486","0.012","980.4","1.4","291","2","291","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H14 Br Cl N4 O6 S -","- C17 H14 Br Cl N4 O6 S -","- C34 H28 Br2 Cl2 N8 O12 S2 -","2","1","","Xu, Feng; Peng, Yu-Xin; Hu, Bin; Tao, Tao; Huang, Wei","Comparative structural and spectral analyses for mononuclear and dinuclear metal complexes of 2-thiophen and 2-(5-bromothiophen) imidazo[4,5-f][1,10]phenanthroline","CrystEngComm","2012","14","23","8023","","10.1039/c2ce26001h","","","0.71073","MoKα","","0.124","0.0782","","","0.2234","0.2969","","","","","","1.061","","","","has coordinates,has disorder","180479","2020-10-21","18:00:00",""
"7214887","15.333","0.011","8.37","0.008","17.857","0.013","90","","111.57","0.03","90","","2131","3","291","2","291","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 Br Cl N4 O5 S -","- C19 H16 Br Cl N4 O5 S -","- C76 H64 Br4 Cl4 N16 O20 S4 -","4","1","","Xu, Feng; Peng, Yu-Xin; Hu, Bin; Tao, Tao; Huang, Wei","Comparative structural and spectral analyses for mononuclear and dinuclear metal complexes of 2-thiophen and 2-(5-bromothiophen) imidazo[4,5-f][1,10]phenanthroline","CrystEngComm","2012","14","23","8023","","10.1039/c2ce26001h","","","0.71073","MoKα","","0.0614","0.0487","","","0.1275","0.133","","","","","","0.987","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214888","7.562","0.002","14.037","0.004","22.806","0.007","90","","105.568","0.004","90","","2332","1.2","291","2","291","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 Hg I2 N4 O2 S -","- C19 H18 Hg I2 N4 O2 S -","- C76 H72 Hg4 I8 N16 O8 S4 -","4","1","","Xu, Feng; Peng, Yu-Xin; Hu, Bin; Tao, Tao; Huang, Wei","Comparative structural and spectral analyses for mononuclear and dinuclear metal complexes of 2-thiophen and 2-(5-bromothiophen) imidazo[4,5-f][1,10]phenanthroline","CrystEngComm","2012","14","23","8023","","10.1039/c2ce26001h","","","0.71073","MoKα","","0.0589","0.0345","","","0.063","0.0675","","","","","","0.79","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214889","7.6661","0.0011","24.296","0.003","14.8623","0.0016","90","","116.268","0.005","90","","2482.3","0.6","291","2","291","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Br Hg I2 N5 O S -","- C20 H16 Br Hg I2 N5 O S -","- C80 H64 Br4 Hg4 I8 N20 O4 S4 -","4","1","","Xu, Feng; Peng, Yu-Xin; Hu, Bin; Tao, Tao; Huang, Wei","Comparative structural and spectral analyses for mononuclear and dinuclear metal complexes of 2-thiophen and 2-(5-bromothiophen) imidazo[4,5-f][1,10]phenanthroline","CrystEngComm","2012","14","23","8023","","10.1039/c2ce26001h","","","0.71073","MoKα","","0.0574","0.0381","","","0.0816","0.0862","","","","","","0.883","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214890","9.8723","0.0008","9.9382","0.0008","10.7007","0.0016","91.615","0.002","102.813","0.002","119.47","0.001","879.54","0.17","291","2","291","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H20 Cl2 Hg2 N8 O8 S2 -","- C34 H20 Cl2 Hg2 N8 O8 S2 -","- C34 H20 Cl2 Hg2 N8 O8 S2 -","1","0.5","","Xu, Feng; Peng, Yu-Xin; Hu, Bin; Tao, Tao; Huang, Wei","Comparative structural and spectral analyses for mononuclear and dinuclear metal complexes of 2-thiophen and 2-(5-bromothiophen) imidazo[4,5-f][1,10]phenanthroline","CrystEngComm","2012","14","23","8023","","10.1039/c2ce26001h","","","0.71073","MoKα","","0.0664","0.0336","","","0.0424","0.0471","","","","","","0.738","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214891","8.186","0.0014","10.3316","0.0017","12.858","0.002","109.506","0.002","93.424","0.002","102.044","0.002","992.6","0.3","291","2","291","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H26 Br2 Cl4 N8 Ni2 O2 S2 -","- C36 H26 Br2 Cl4 N8 Ni2 O2 S2 -","- C36 H26 Br2 Cl4 N8 Ni2 O2 S2 -","1","0.5","","Xu, Feng; Peng, Yu-Xin; Hu, Bin; Tao, Tao; Huang, Wei","Comparative structural and spectral analyses for mononuclear and dinuclear metal complexes of 2-thiophen and 2-(5-bromothiophen) imidazo[4,5-f][1,10]phenanthroline","CrystEngComm","2012","14","23","8023","","10.1039/c2ce26001h","","","0.71073","MoKα","","0.0603","0.0387","","","0.0937","0.0991","","","","","","0.91","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214892","25.896","0.005","9.8455","0.0019","18.182","0.003","90","","110.564","0.002","90","","4340.3","1.4","291","2","291","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38 H30 Br2 La N11 O11 S2 -","- C38 H30 Br2 La N11 O11 S2 -","- C152 H120 Br8 La4 N44 O44 S8 -","4","0.5","","Xu, Feng; Peng, Yu-Xin; Hu, Bin; Tao, Tao; Huang, Wei","Comparative structural and spectral analyses for mononuclear and dinuclear metal complexes of 2-thiophen and 2-(5-bromothiophen) imidazo[4,5-f][1,10]phenanthroline","CrystEngComm","2012","14","23","8023","","10.1039/c2ce26001h","","","0.71073","MoKα","","0.0278","0.0239","","","0.0602","0.0613","","","","","","1.026","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214893","18.229","0.005","18.329","0.005","19.533","0.005","62.294","0.003","76.676","0.004","68.31","0.004","5355","2","291","2","291","2","","","","","","","","7","P -1","-P 1","2","","","","- C106 H82 Cl4 Fe2 N24 O23 S6 -","- C106 H82 Cl4 Fe2 N24 O23 S6 -","- C212 H164 Cl8 Fe4 N48 O46 S12 -","2","1","","Xu, Feng; Peng, Yu-Xin; Hu, Bin; Tao, Tao; Huang, Wei","Comparative structural and spectral analyses for mononuclear and dinuclear metal complexes of 2-thiophen and 2-(5-bromothiophen) imidazo[4,5-f][1,10]phenanthroline","CrystEngComm","2012","14","23","8023","","10.1039/c2ce26001h","","","0.71073","MoKα","","0.1827","0.1154","","","0.3431","0.3682","","","","","","1.075","","","","has coordinates,has disorder","180479","2020-10-21","18:00:00",""
"7214894","20.215","0.0011","20.9756","0.0012","33.84","0.0019","90","","90","","90","","14348.9","1.4","291","2","291","2","","","","","","","","8","I 21 21 21","I 2b 2c","24","","","","- C113 H109 F36 N24 O15 P6 Ru3 S3 -","- C113 H109 F36 N24 O15 P6 Ru3 S3 -","- C452 H436 F144 N96 O60 P24 Ru12 S12 -","4","0.5","","Xu, Feng; Peng, Yu-Xin; Hu, Bin; Tao, Tao; Huang, Wei","Comparative structural and spectral analyses for mononuclear and dinuclear metal complexes of 2-thiophen and 2-(5-bromothiophen) imidazo[4,5-f][1,10]phenanthroline","CrystEngComm","2012","14","23","8023","","10.1039/c2ce26001h","","","0.71073","MoKα","","0.108","0.0567","","","0.1244","0.1359","","","","","","0.962","","","","has coordinates,has disorder","180479","2020-10-21","18:00:00",""
"7214895","8.4762","0.0009","15.787","0.002","8.3158","0.0011","90","","97.21","0.01","90","","1104","0.2","210","","210","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","molecular complex of bromoform with cyclohexanone (1:1)","","- C7 H11 Br3 O -","- C7 H11 Br3 O -","- C28 H44 Br12 O4 -","4","1","","Yufit, Dmitry S.; Zubatyuk, Roman; Shishkin, Oleg V.; Howard, Judith A. K.","Low-melting molecular complexes. Halogen bonds in molecular complexes of bromoform","CrystEngComm","2012","14","23","8222","","10.1039/c2ce26191j","","x-ray","0.71073","MoKα","K-L~3~","0.073","0.0379","","","0.0826","0.0923","","","","","","1.01","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214896","7.9562","0.0008","9.6768","0.0009","12.0633","0.0017","90","","94.923","0.011","90","","925.33","0.18","225","","225","","","","","","","","","5","C 1 c 1","C -2yc","9","","molecular complex of bromoform with dimethylsulfoxide (1:1)","","- C3 H7 Br3 O S -","- C3 H7 Br3 O S -","- C12 H28 Br12 O4 S4 -","4","1","","Yufit, Dmitry S.; Zubatyuk, Roman; Shishkin, Oleg V.; Howard, Judith A. K.","Low-melting molecular complexes. Halogen bonds in molecular complexes of bromoform","CrystEngComm","2012","14","23","8222","","10.1039/c2ce26191j","","","0.7107","MoKα","Mo","0.1038","0.0833","","","0.2103","0.2358","","","","","","1.036","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214897","4.1771","0.0003","19.2999","0.0016","6.0082","0.0005","90","","106.732","0.01","90","","463.86","0.07","160","","160","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C5 H9 Br3 O2 -","- C5 H9 Br3 O2 -","- C10 H18 Br6 O4 -","2","0.5","","Yufit, Dmitry S.; Zubatyuk, Roman; Shishkin, Oleg V.; Howard, Judith A. K.","Low-melting molecular complexes. Halogen bonds in molecular complexes of bromoform","CrystEngComm","2012","14","23","8222","","10.1039/c2ce26191j","","x-ray","0.71073","MoKα","K-L~3~","0.0208","0.0182","","","0.0449","0.0457","","","","","","1.114","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214898","4.2028","0.0004","19.3569","0.0018","6.0247","0.0005","90","","106.761","0.01","90","","469.31","0.08","200","","200","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C5 H9 Br3 O2 -","- C5 H9 Br3 O2 -","- C10 H18 Br6 O4 -","2","0.5","","Yufit, Dmitry S.; Zubatyuk, Roman; Shishkin, Oleg V.; Howard, Judith A. K.","Low-melting molecular complexes. Halogen bonds in molecular complexes of bromoform","CrystEngComm","2012","14","23","8222","","10.1039/c2ce26191j","","x-ray","0.71073","MoKα","K-L~3~","0.0234","0.0212","","","0.0506","0.0516","","","","","","1.069","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214899","4.2311","0.0005","19.421","0.002","6.0413","0.0006","90","","106.76","0.01","90","","475.34","0.09","240","","240","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C5 H9 Br3 O2 -","- C5 H9 Br3 O2 -","- C10 H18 Br6 O4 -","2","0.5","","Yufit, Dmitry S.; Zubatyuk, Roman; Shishkin, Oleg V.; Howard, Judith A. K.","Low-melting molecular complexes. Halogen bonds in molecular complexes of bromoform","CrystEngComm","2012","14","23","8222","","10.1039/c2ce26191j","","x-ray","0.71073","MoKα","K-L~3~","0.0283","0.0244","","","0.0595","0.0614","","","","","","1.064","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214900","6.566","0.002","10.457","0.003","17.386","0.005","90","","90","","90","","1193.7","0.6","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C6 H10 B Cu F4 N7 O -","- C6 H10 B Cu F4 N7 O -","- C24 H40 B4 Cu4 F16 N28 O4 -","4","1","","Boland, Yves; Tinant, Bernard; Safin, Damir A.; Marchand-Brynaert, Jacqueline; Clérac, Rodolphe; Garcia, Yann","A metal‒organic framework made of an asymmetric 1,2,4-triazole and tetrazole ligand","CrystEngComm","2012","14","23","8153","","10.1039/c2ce26257f","","","0.71069","MoKα","","0.0438","0.0396","","","0.0986","0.1013","","","","","","1.058","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214901","7.7051","0.0011","8.2473","0.0012","18.664","0.003","90","","90","","90","","1186","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H11 Dy N2 O8 -","- C8 H11 Dy N2 O8 -","- C32 H44 Dy4 N8 O32 -","4","1","","Zhang, Li-Min; Deng, Da-Yi; Peng, Guo; Sun, Lin; Liang, Li; Lan, Guo-Qiang; Deng, Hong","A series of three-dimensional (3D) chiral lanthanide coordination polymers generated by spontaneous resolution","CrystEngComm","2012","14","23","8083","","10.1039/c2ce26028j","","","0.71073","MoKα","","0.0208","0.0198","","","0.044","0.0445","","","","","","0.979","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214902","7.6961","0.0015","8.2458","0.0017","18.737","0.004","90","","90","","90","","1189.1","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H11 N2 O8 Tb -","- C8 H11 N2 O8 Tb -","- C32 H44 N8 O32 Tb4 -","4","1","","Zhang, Li-Min; Deng, Da-Yi; Peng, Guo; Sun, Lin; Liang, Li; Lan, Guo-Qiang; Deng, Hong","A series of three-dimensional (3D) chiral lanthanide coordination polymers generated by spontaneous resolution","CrystEngComm","2012","14","23","8083","","10.1039/c2ce26028j","","","0.71073","MoKα","","0.0299","0.0278","","","0.0604","0.0612","","","","","","1.081","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214903","7.7735","0.0018","8.2482","0.0019","18.816","0.004","90","","90","","90","","1206.4","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H11 Eu N2 O8 -","- C8 H11 Eu N2 O8 -","- C32 H44 Eu4 N8 O32 -","4","1","","Zhang, Li-Min; Deng, Da-Yi; Peng, Guo; Sun, Lin; Liang, Li; Lan, Guo-Qiang; Deng, Hong","A series of three-dimensional (3D) chiral lanthanide coordination polymers generated by spontaneous resolution","CrystEngComm","2012","14","23","8083","","10.1039/c2ce26028j","","","0.71073","MoKα","","0.0286","0.0281","","","0.0672","0.0674","","","","","","1.127","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214904","7.7305","0.001","8.2593","0.0011","18.791","0.003","90","","90","","90","","1199.8","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H11 Gd N2 O8 -","- C8 H11 Gd N2 O8 -","- C32 H44 Gd4 N8 O32 -","4","1","","Zhang, Li-Min; Deng, Da-Yi; Peng, Guo; Sun, Lin; Liang, Li; Lan, Guo-Qiang; Deng, Hong","A series of three-dimensional (3D) chiral lanthanide coordination polymers generated by spontaneous resolution","CrystEngComm","2012","14","23","8083","","10.1039/c2ce26028j","","","0.71073","MoKα","","0.0164","0.0161","","","0.0411","0.0412","","","","","","1.216","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214905","7.7028","0.001","8.2418","0.001","18.692","0.002","90","","90","","90","","1186.7","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H11 Dy N2 O8 -","- C8 H11 Dy N2 O8 -","- C32 H44 Dy4 N8 O32 -","4","1","","Zhang, Li-Min; Deng, Da-Yi; Peng, Guo; Sun, Lin; Liang, Li; Lan, Guo-Qiang; Deng, Hong","A series of three-dimensional (3D) chiral lanthanide coordination polymers generated by spontaneous resolution","CrystEngComm","2012","14","23","8083","","10.1039/c2ce26028j","","","0.71073","MoKα","","0.0384","0.0376","","","0.095","0.0955","","","","","","1.051","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214906","15.2093","0.0005","11.5727","0.0004","15.7952","0.0004","90","","93.599","0.002","90","","2774.67","0.15","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H59 Ce N28 O31 -","- C39 H50 Ce N28 O31 -","- C78 H100 Ce2 N56 O62 -","2","1","","Thuéry, Pierre","Supramolecular assemblies built from lanthanide ammoniocarboxylates and cucurbit[6]uril","CrystEngComm","2012","14","23","8128","","10.1039/c2ce25915j","","","0.71073","MoKα","","0.0735","0.0718","","","0.1949","0.1961","","","","","","1.073","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214907","34.5703","0.0011","21.2363","0.0006","21.7315","0.0005","90","","127.191","0.0015","90","","12709.4","0.7","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C84 H144 Ce2 N56 O69 -","- C84 H110 Ce2 N56 O69 -","- C336 H440 Ce8 N224 O276 -","4","0.5","","Thuéry, Pierre","Supramolecular assemblies built from lanthanide ammoniocarboxylates and cucurbit[6]uril","CrystEngComm","2012","14","23","8128","","10.1039/c2ce25915j","","","0.71073","MoKα","","0.0667","0.0552","","","0.1641","0.1713","","","","","","1.058","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214908","14.7871","0.0001","26.7248","0.0003","16.7471","0.0002","90","","90.3591","0.0005","90","","6618.03","0.12","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C41 H75 N28 O37 S Yb -","- C41 H51 N28 O37 S Yb -","- C164 H204 N112 O148 S4 Yb4 -","4","2","","Thuéry, Pierre","Supramolecular assemblies built from lanthanide ammoniocarboxylates and cucurbit[6]uril","CrystEngComm","2012","14","23","8128","","10.1039/c2ce25915j","","","0.71073","MoKα","","0.0609","0.0567","","","0.1517","0.1542","","","","","","1.087","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214909","25.4155","0.0002","18.8099","0.0002","29.8228","0.0003","90","","93.6325","0.0006","90","","14228.5","0.2","150","2","150","2","","","","","","","","6","P 1 2 1","P 2y","3","","","","- C164 H312 Dy5 N115 O163 S4 -","- C164 H185 Dy5 N115 O163 S4 -","- C328 H370 Dy10 N230 O326 S8 -","2","1","","Thuéry, Pierre","Supramolecular assemblies built from lanthanide ammoniocarboxylates and cucurbit[6]uril","CrystEngComm","2012","14","23","8128","","10.1039/c2ce25915j","","","0.71073","MoKα","","0.0707","0.0666","","","0.1868","0.1901","","","","","","1.046","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214910","14.2583","0.0007","15.0998","0.0004","25.1467","0.0012","90.052","0.003","90.186","0.002","116.19","0.003","4858.2","0.4","150","2","150","2","","","","","","","","6","P 1","P 1","1","","","","- C102 H228 N64 Nd4 O112 S6 -","- C102 H144 N64 Nd4 O112 S6 -","- C102 H144 N64 Nd4 O112 S6 -","1","1","","Thuéry, Pierre","Supramolecular assemblies built from lanthanide ammoniocarboxylates and cucurbit[6]uril","CrystEngComm","2012","14","23","8128","","10.1039/c2ce25915j","","","0.71073","MoKα","","0.0684","0.0607","","","0.1545","0.1607","","","","","","1.027","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214911","14.6622","0.0012","17.3679","0.0014","20.5165","0.0017","66.9042","0.001","77.86","0.002","68.1339","0.001","4447.4","0.6","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C144 H136 Cl2 Mn7 N4 O54 -","- C144 H136 Cl2 Mn7 N4 O54 -","- C144 H136 Cl2 Mn7 N4 O54 -","1","0.5","","Zhang, Jun; Xue, Yun-Shan; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng","Four cluster-based coordination polymers built on a semirigid tripod tricarboxylate ligand","CrystEngComm","2012","14","23","8215","","10.1039/c2ce26327k","","","0.71073","MoKα","","0.068","0.0448","","","0.09","0.0943","","","","","","1.02","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214912","14.8661","0.001","17.8974","0.0012","20.5741","0.0014","67.25","0.001","77.738","0.002","67.815","0.001","4660.3","0.5","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C144 H164 Cd7 Cl2 N4 O54 -","- C144 H136 Cd7 Cl2 N4 O54 -","- C144 H136 Cd7 Cl2 N4 O54 -","1","0.5","","Zhang, Jun; Xue, Yun-Shan; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng","Four cluster-based coordination polymers built on a semirigid tripod tricarboxylate ligand","CrystEngComm","2012","14","23","8215","","10.1039/c2ce26327k","","","0.71073","MoKα","","0.0477","0.037","","","0.0758","0.078","","","","","","1.063","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214913","15.2234","0.0012","17.3461","0.0012","20.4722","0.0016","67.071","0.001","76.394","0.002","64.9","0.001","4492.8","0.6","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C144 H168 Co7 N4 O57 -","- C144 H138 Co7 N4 O57 -","- C144 H138 Co7 N4 O57 -","1","0.5","","Zhang, Jun; Xue, Yun-Shan; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng","Four cluster-based coordination polymers built on a semirigid tripod tricarboxylate ligand","CrystEngComm","2012","14","23","8215","","10.1039/c2ce26327k","","","0.71073","MoKα","","0.058","0.0419","","","0.0835","0.087","","","","","","1.046","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214914","8.636","0.0006","35.5231","0.0014","17.7388","0.0012","90","","92.067","0.003","90","","5438.3","0.6","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C84 H106 Cl2 Co4 N6 O29 -","- C84 H96 Cl2 Co4 N6 O31 -","- C168 H192 Cl4 Co8 N12 O62 -","2","0.5","","Zhang, Jun; Xue, Yun-Shan; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng","Four cluster-based coordination polymers built on a semirigid tripod tricarboxylate ligand","CrystEngComm","2012","14","23","8215","","10.1039/c2ce26327k","","","0.71073","MoKα","","0.0739","0.0504","","","0.0915","0.0956","","","","","","1.1","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214915","10.487","0.002","11.16","0.002","12.296","0.003","99.54","0.03","98.62","0.03","90.56","0.03","1402.2","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H22.5 Cd N8 O5.75 -","- C29 H19 Cd N8 O5.75 -","- C58 H38 Cd2 N16 O11.5 -","2","1","","Jin, Juan; Bai, Fu-Quan; Li, Guang-Hua; Jia, Ming-Jun; Zhao, Jin-Jing; Jia, Hong-Li; Yu, Jie-Hui; Xu, Ji-Qing","Synthesis, structural characterization and photoluminescence property of four di(mono)acylhydrazidate-coordinated Cd2+ and Zn2+ compounds","CrystEngComm","2012","14","23","8162","","10.1039/c2ce26263k","","","0.71073","MoKα","","0.0622","0.0538","","","0.1711","0.181","","","","","","1.089","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214916","17.194","0.003","12.05","0.002","22.453","0.005","90","","95.42","0.03","90","","4631.2","1.5","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C92 H74 N28 O24 Zn3 -","- C92 H56 N28 O24 Zn3 -","- C184 H112 N56 O48 Zn6 -","2","0.5","","Jin, Juan; Bai, Fu-Quan; Li, Guang-Hua; Jia, Ming-Jun; Zhao, Jin-Jing; Jia, Hong-Li; Yu, Jie-Hui; Xu, Ji-Qing","Synthesis, structural characterization and photoluminescence property of four di(mono)acylhydrazidate-coordinated Cd2+ and Zn2+ compounds","CrystEngComm","2012","14","23","8162","","10.1039/c2ce26263k","","","0.71073","MoKα","","0.1193","0.0705","","","0.204","0.2318","","","","","","1.05","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214917","10.346","0.002","11.139","0.002","13.478","0.003","66.01","0.03","84.96","0.03","76.27","0.03","1378.5","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H20 Cd N6 O8 S -","- C28 H16 Cd N6 O8 S -","- C56 H32 Cd2 N12 O16 S2 -","2","1","","Jin, Juan; Bai, Fu-Quan; Li, Guang-Hua; Jia, Ming-Jun; Zhao, Jin-Jing; Jia, Hong-Li; Yu, Jie-Hui; Xu, Ji-Qing","Synthesis, structural characterization and photoluminescence property of four di(mono)acylhydrazidate-coordinated Cd2+ and Zn2+ compounds","CrystEngComm","2012","14","23","8162","","10.1039/c2ce26263k","","","0.71073","MoKα","","0.0364","0.0321","","","0.0958","0.1032","","","","","","1.198","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214918","12.805","0.003","5.3901","0.0011","10.848","0.002","90","","100.58","0.03","90","","736","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N6 O6 Zn -","- C14 H12 N6 O6 Zn -","- C28 H24 N12 O12 Zn2 -","2","0.5","","Jin, Juan; Bai, Fu-Quan; Li, Guang-Hua; Jia, Ming-Jun; Zhao, Jin-Jing; Jia, Hong-Li; Yu, Jie-Hui; Xu, Ji-Qing","Synthesis, structural characterization and photoluminescence property of four di(mono)acylhydrazidate-coordinated Cd2+ and Zn2+ compounds","CrystEngComm","2012","14","23","8162","","10.1039/c2ce26263k","","","0.71073","MoKα","","0.0299","0.0249","","","0.0578","0.0597","","","","","","1.06","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214919","32.7209","0.0015","19.4444","0.0009","32.739","0.002","90","","115.904","0.002","90","","18737","1.7","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H30 Ca2 Cl4 N20 O11 -","- C30 H30 Ca2 Cl3.9985 N20 O11 -","- C480 H480 Ca32 Cl63.976 N320 O176 -","16","2","","Chen, Kai; Liang, Li-Li; Liu, Hao-Jing; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang","p-Hydroxybenzoic acid-assisted homochiral 1D-helical coordination polymers from calcium cations and cucurbit[5]uril","CrystEngComm","2012","14","23","8049","","10.1039/c2ce25958c","","","0.71073","MoKα","","0.1753","0.1015","","","0.2591","0.2911","","","","","","1.097","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214920","15.8841","0.0018","12.4803","0.0014","14.1747","0.0016","90","","90","","90","","2810","0.5","223","2","223","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C44 H68 N20 O29 -","- C44 H42 N20 O16 -","- C88 H84 N40 O32 -","2","0.5","","Chen, Kai; Liang, Li-Li; Liu, Hao-Jing; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang","p-Hydroxybenzoic acid-assisted homochiral 1D-helical coordination polymers from calcium cations and cucurbit[5]uril","CrystEngComm","2012","14","23","8049","","10.1039/c2ce25958c","","","0.71073","MoKα","","0.0496","0.0466","","","0.1282","0.1303","","","","","","1.08","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214921","14.7327","0.0018","14.7327","0.0018","46.389","0.011","90","","90","","120","","8720","3","223","2","223","2","","","","","","","","6","P 65","P 65","170","","","","- C37 H68 Ca Cl2 N20 O29 -","- C37 H36 Ca Cl2 N20 O17 -","- C222 H216 Ca6 Cl12 N120 O102 -","6","1","","Chen, Kai; Liang, Li-Li; Liu, Hao-Jing; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang","p-Hydroxybenzoic acid-assisted homochiral 1D-helical coordination polymers from calcium cations and cucurbit[5]uril","CrystEngComm","2012","14","23","8049","","10.1039/c2ce25958c","","","0.71073","MoKα","","0.0825","0.0762","","","0.2124","0.2189","","","","","","1.032","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214922","15.8841","0.0018","12.4803","0.0014","14.1747","0.0016","90","","90","","90","","2810","0.5","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C40 H40 N25 O20 -","- C44 H42 N20 O33 -","- C88 H84 N40 O66 -","2","0.5","","Chen, Kai; Liang, Li-Li; Liu, Hao-Jing; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang","p-Hydroxybenzoic acid-assisted homochiral 1D-helical coordination polymers from calcium cations and cucurbit[5]uril","CrystEngComm","2012","14","23","8049","","10.1039/c2ce25958c","","","0.71073","MoKα","","0.0652","0.0606","","","0.1823","0.1874","","","","","","1.084","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214923","25.4025","0.0002","25.4025","0.0002","46.8244","0.0004","90","","90","","90","","30215.2","0.4","150","2","150","2","","","","","","","","8","I -4 2 d","I -4 2bw","122","","","","- C63 H83 Cl4 N10 O3.5 Pt2 S4 Zn2 -","- C63 H83 Cl4 N10 O3.5 Pt2 S4 Zn2 -","- C1008 H1328 Cl64 N160 O56 Pt32 S64 Zn32 -","16","1","","Tzeng, Biing-Chiau; Ding, Chau-Shiung; Chang, Tsung-Yi; Hu, Cho-Chun; Lee, Gene-Hsiang","Toward heteronuclear supramolecular architectures of pyridine-4-thiolate","CrystEngComm","2012","14","23","8228","","10.1039/c2ce26367j","","","0.71073","MoKα","","0.0655","0.0446","","","0.1157","0.1247","","","","","","1.055","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7214924","25.6733","0.001","25.6733","0.001","47.043","0.004","90","","90","","90","","31007","3","150","2","150","2","","","","","","","","9","I -4 2 d","I -4 2bw","122","","","","- C64 H83.5 Br4 Cl N10.5 O3 Pt2 S4 Zn2 -","- C64 H82.5 Br4 Cl N10.5 O3 Pt2 S4 Zn2 -","- C1024 H1320 Br64 Cl16 N168 O48 Pt32 S64 Zn32 -","16","1","","Tzeng, Biing-Chiau; Ding, Chau-Shiung; Chang, Tsung-Yi; Hu, Cho-Chun; Lee, Gene-Hsiang","Toward heteronuclear supramolecular architectures of pyridine-4-thiolate","CrystEngComm","2012","14","23","8228","","10.1039/c2ce26367j","","","0.71073","MoKα","","0.0639","0.0452","","","0.1117","0.1267","","","","","","1.052","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7214925","25.7484","0.0008","22.6562","0.0006","27.7603","0.0008","90","","98.9677","0.0011","90","","15996.3","0.8","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C60.5 H73 Cl9 I4 N8 Pt2 S4 Zn2 -","- C60.5 H73 Cl9 I4 N8 Pt2 S4 Zn2 -","- C484 H584 Cl72 I32 N64 Pt16 S32 Zn16 -","8","2","","Tzeng, Biing-Chiau; Ding, Chau-Shiung; Chang, Tsung-Yi; Hu, Cho-Chun; Lee, Gene-Hsiang","Toward heteronuclear supramolecular architectures of pyridine-4-thiolate","CrystEngComm","2012","14","23","8228","","10.1039/c2ce26367j","","","0.71073","MoKα","","0.0842","0.0419","","","0.096","0.1144","","","","","","1.006","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7214926","27.54","0.003","19.1614","0.0017","16.0561","0.0015","90","","119.272","0.001","90","","7391","1.2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C60 H80 N10 O11 Pt2 S4 Zn2 -","- C60 H64 N10 O11 Pt2 S4 Zn2 -","- C240 H256 N40 O44 Pt8 S16 Zn8 -","4","0.5","","Tzeng, Biing-Chiau; Ding, Chau-Shiung; Chang, Tsung-Yi; Hu, Cho-Chun; Lee, Gene-Hsiang","Toward heteronuclear supramolecular architectures of pyridine-4-thiolate","CrystEngComm","2012","14","23","8228","","10.1039/c2ce26367j","","","0.71073","MoKα","","0.0636","0.0469","","","0.1383","0.1564","","","","","","1.127","","","","has coordinates,has disorder","180480","2020-10-21","18:00:00",""
"7214927","25.4591","0.0007","25.4591","0.0007","46.7498","0.0013","90","","90","","90","","30301.6","1.4","150","2","150","2","","","","","","","","8","I -4 2 d","I -4 2bw","122","","","","- C65 H86 Cl4 N11 O3.5 Pd2 S4 Zn2 -","- C65 H85 Cl4 N11 O3.5 Pd2 S4 Zn2 -","- C1040 H1360 Cl64 N176 O56 Pd32 S64 Zn32 -","16","1","","Tzeng, Biing-Chiau; Ding, Chau-Shiung; Chang, Tsung-Yi; Hu, Cho-Chun; Lee, Gene-Hsiang","Toward heteronuclear supramolecular architectures of pyridine-4-thiolate","CrystEngComm","2012","14","23","8228","","10.1039/c2ce26367j","","","0.71073","MoKα","","0.0958","0.0782","","","0.1553","0.1621","","","","","","1.261","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214928","10.46","0.005","11.536","0.005","42.364","0.019","90","","90","","90","","5112","4","297","2","297","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","4-O-benzyl-myo-inositol-1,3,5-orthoformate","","- C14 H16 O6 -","- C14 H16 O6 -","- C224 H256 O96 -","16","2","","Sardessai, Richa; Krishnaswamy, Shobhana; Shashidhar, Mysore S.","Achieving molecular stability of racemic 4-O-benzyl-myo-inositol-1,3,5-orthoformate through crystal formation","CrystEngComm","2012","14","23","8010","","10.1039/c2ce26199e","","","0.71073","MoKα","","0.0867","0.0513","","","0.117","0.1352","","","","","","1.025","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214929","10.4043","0.0017","13.72","0.002","10.3515","0.0017","90","","118.031","0.003","90","","1304.3","0.4","297","2","297","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-O-benzyl-myo-inositol-1,3,5-orthoformate","","- C14 H16 O6 -","- C14 H16 O6 -","- C56 H64 O24 -","4","1","","Sardessai, Richa; Krishnaswamy, Shobhana; Shashidhar, Mysore S.","Achieving molecular stability of racemic 4-O-benzyl-myo-inositol-1,3,5-orthoformate through crystal formation","CrystEngComm","2012","14","23","8010","","10.1039/c2ce26199e","","","0.71073","MoKα","","0.128","0.0852","","","0.1454","0.1581","","","","","","1.224","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214930","5.8919","0.0012","11.934","0.002","16.684","0.003","73.06","0.03","87.16","0.03","76.67","0.03","1091.8","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H28 Cd Cl2 N4 S2 -","- C15 H28 Cd Cl2 N4 S2 -","- C30 H56 Cd2 Cl4 N8 S4 -","2","1","","Jia, Hong-Li; Jia, Ming-Jun; Ding, Hong; Yu, Jie-Hui; Jin, Juan; Zhao, Jin-Jing; Xu, Ji-Qing","New thiocyanatocadmates with bidentate N-heterocyclic molecules as the templating agents: synthesis and structural characterization","CrystEngComm","2012","14","23","8000","","10.1039/c2ce26164b","","","0.71073","MoKα","","0.0372","0.0325","","","0.1067","0.1132","","","","","","1.175","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214931","7.3432","0.0015","9.2378","0.0018","14.238","0.003","103.57","0.03","99.86","0.03","98.14","0.03","908.2","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H12 Br2 Cd N4 S2 -","- C14 H12 Br2 Cd N4 S2 -","- C28 H24 Br4 Cd2 N8 S4 -","2","1","","Jia, Hong-Li; Jia, Ming-Jun; Ding, Hong; Yu, Jie-Hui; Jin, Juan; Zhao, Jin-Jing; Xu, Ji-Qing","New thiocyanatocadmates with bidentate N-heterocyclic molecules as the templating agents: synthesis and structural characterization","CrystEngComm","2012","14","23","8000","","10.1039/c2ce26164b","","","0.71073","MoKα","","0.0418","0.0322","","","0.0855","0.0907","","","","","","1.121","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214932","5.8896","0.0012","13.286","0.003","17.001","0.003","85.77","0.03","81.61","0.03","87.58","0.03","1311.8","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H10 Cd2 Cl0 N8 S8 -","- C16 H10 Cd2 N8 S8 -","- C32 H20 Cd4 N16 S16 -","2","1","","Jia, Hong-Li; Jia, Ming-Jun; Ding, Hong; Yu, Jie-Hui; Jin, Juan; Zhao, Jin-Jing; Xu, Ji-Qing","New thiocyanatocadmates with bidentate N-heterocyclic molecules as the templating agents: synthesis and structural characterization","CrystEngComm","2012","14","23","8000","","10.1039/c2ce26164b","","","0.71073","MoKα","","0.0419","0.0322","","","0.0787","0.0819","","","","","","1.103","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214933","10.999","0.002","16.628","0.003","5.1034","0.001","90","","90","","90","","933.4","0.3","293","2","293","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C12 H10 Br2 Cd N4 S4 -","- C12 H10 Br2 Cd N4 S4 -","- C24 H20 Br4 Cd2 N8 S8 -","2","0.5","","Jia, Hong-Li; Jia, Ming-Jun; Ding, Hong; Yu, Jie-Hui; Jin, Juan; Zhao, Jin-Jing; Xu, Ji-Qing","New thiocyanatocadmates with bidentate N-heterocyclic molecules as the templating agents: synthesis and structural characterization","CrystEngComm","2012","14","23","8000","","10.1039/c2ce26164b","","","0.71073","MoKα","","0.0219","0.0197","","","0.0414","0.042","","","","","","1.15","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214934","8.4933","0.0017","10.509","0.002","11.826","0.002","81.38","0.03","73.21","0.03","70.39","0.03","950.3","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H9 Cd N5 S5 -","- C13 H9 Cd N5 S5 -","- C26 H18 Cd2 N10 S10 -","2","1","","Jia, Hong-Li; Jia, Ming-Jun; Ding, Hong; Yu, Jie-Hui; Jin, Juan; Zhao, Jin-Jing; Xu, Ji-Qing","New thiocyanatocadmates with bidentate N-heterocyclic molecules as the templating agents: synthesis and structural characterization","CrystEngComm","2012","14","23","8000","","10.1039/c2ce26164b","","","0.71073","MoKα","","0.032","0.0274","","","0.0612","0.0669","","","","","","1.116","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214935","5.7769","0.0012","7.817","0.0018","13.529","0.003","90.857","0.014","100.574","0.013","106.749","0.013","573.6","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C28 H24 N4 O6 -","2","1","","Hsiao, Hui-Lin; Wu, Chia-Jun; Hsu, Wayne; Yeh, Chun-Wei; Xie, Ming-Yuan; Huang, Wun-Jhih; Chen, Jhy-Der","Diverse Ag(i) complexes constructed from asymmetric pyridyl and pyrimidyl amide ligands: roles of Ag⋯Ag and π‒π interactions","CrystEngComm","2012","14","23","8143","","10.1039/c2ce25995h","","","0.71073","MoKα","","0.1275","0.0554","","","0.1055","0.1307","","","","","","1.004","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214936","3.9462","0.0002","28.9809","0.0011","5.2402","0.0002","90","","95.337","0.002","90","","596.69","0.04","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C28 H24 N4 O6 -","2","1","","Hsiao, Hui-Lin; Wu, Chia-Jun; Hsu, Wayne; Yeh, Chun-Wei; Xie, Ming-Yuan; Huang, Wun-Jhih; Chen, Jhy-Der","Diverse Ag(i) complexes constructed from asymmetric pyridyl and pyrimidyl amide ligands: roles of Ag⋯Ag and π‒π interactions","CrystEngComm","2012","14","23","8143","","10.1039/c2ce25995h","","","0.71073","MoKα","","0.0532","0.0496","","","0.1323","0.1371","","","","","","1.061","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214937","7.2328","0.0004","11.2111","0.0005","17.3601","0.0007","90","","98.222","0.003","90","","1393.22","0.11","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 N2 O5 -","- C14 H16 N2 O5 -","- C56 H64 N8 O20 -","4","1","","Hsiao, Hui-Lin; Wu, Chia-Jun; Hsu, Wayne; Yeh, Chun-Wei; Xie, Ming-Yuan; Huang, Wun-Jhih; Chen, Jhy-Der","Diverse Ag(i) complexes constructed from asymmetric pyridyl and pyrimidyl amide ligands: roles of Ag⋯Ag and π‒π interactions","CrystEngComm","2012","14","23","8143","","10.1039/c2ce25995h","","","0.71073","MoKα","","0.1092","0.0454","","","0.083","0.0996","","","","","","1.001","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214938","8.1294","0.0002","11.4747","0.0002","15.7778","0.0003","95.479","0.001","102.802","0.001","90.992","0.001","1427.53","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H48 Ag4 N12 O24 -","- C56 H48 Ag4 N12 O24 -","- C56 H48 Ag4 N12 O24 -","1","0.5","","Hsiao, Hui-Lin; Wu, Chia-Jun; Hsu, Wayne; Yeh, Chun-Wei; Xie, Ming-Yuan; Huang, Wun-Jhih; Chen, Jhy-Der","Diverse Ag(i) complexes constructed from asymmetric pyridyl and pyrimidyl amide ligands: roles of Ag⋯Ag and π‒π interactions","CrystEngComm","2012","14","23","8143","","10.1039/c2ce25995h","","","0.71073","MoKα","","0.0572","0.033","","","0.0558","0.0623","","","","","","1.005","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214939","5.287","0.0001","9.2477","0.0002","15.5312","0.0003","76.306","0.001","85.897","0.001","89.384","0.001","735.87","0.03","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H24 Ag2 N6 O12 -","- C28 H24 Ag2 N6 O12 -","- C28 H24 Ag2 N6 O12 -","1","0.5","","Hsiao, Hui-Lin; Wu, Chia-Jun; Hsu, Wayne; Yeh, Chun-Wei; Xie, Ming-Yuan; Huang, Wun-Jhih; Chen, Jhy-Der","Diverse Ag(i) complexes constructed from asymmetric pyridyl and pyrimidyl amide ligands: roles of Ag⋯Ag and π‒π interactions","CrystEngComm","2012","14","23","8143","","10.1039/c2ce25995h","","","0.71073","MoKα","","0.0324","0.0256","","","0.0614","0.0645","","","","","","1.072","","","","has coordinates,has disorder","180480","2020-10-21","18:00:00",""
"7214940","31.2148","0.0004","5.5693","0.0001","16.1812","0.0003","90","","99.665","0.001","90","","2773.09","0.08","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 Ag Cl N4 O10 -","- C28 H24 Ag Cl N4 O10 -","- C112 H96 Ag4 Cl4 N16 O40 -","4","0.5","","Hsiao, Hui-Lin; Wu, Chia-Jun; Hsu, Wayne; Yeh, Chun-Wei; Xie, Ming-Yuan; Huang, Wun-Jhih; Chen, Jhy-Der","Diverse Ag(i) complexes constructed from asymmetric pyridyl and pyrimidyl amide ligands: roles of Ag⋯Ag and π‒π interactions","CrystEngComm","2012","14","23","8143","","10.1039/c2ce25995h","","","0.71073","MoKα","","0.0453","0.0327","","","0.0898","0.1002","","","","","","1.049","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214941","7.3871","0.0001","11.6594","0.0001","20.3813","0.0003","88.704","0.001","79.752","0.001","79.092","0.001","1696.1","0.04","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H30 Ag Cl N6 O10 -","- C32 H30 Ag Cl N6 O10 -","- C64 H60 Ag2 Cl2 N12 O20 -","2","1","","Hsiao, Hui-Lin; Wu, Chia-Jun; Hsu, Wayne; Yeh, Chun-Wei; Xie, Ming-Yuan; Huang, Wun-Jhih; Chen, Jhy-Der","Diverse Ag(i) complexes constructed from asymmetric pyridyl and pyrimidyl amide ligands: roles of Ag⋯Ag and π‒π interactions","CrystEngComm","2012","14","23","8143","","10.1039/c2ce25995h","","","0.71073","MoKα","","0.1102","0.0445","","","0.0934","0.1155","","","","","","1.003","","","","has coordinates,has disorder","180480","2020-10-21","18:00:00",""
"7214942","8.1757","0.0001","9.9244","0.0002","18.2818","0.0004","84.183","0.001","87.78","0.001","67.182","0.001","1360.24","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H24 Ag N5 O9 -","- C28 H24 Ag N5 O9 -","- C56 H48 Ag2 N10 O18 -","2","1","","Hsiao, Hui-Lin; Wu, Chia-Jun; Hsu, Wayne; Yeh, Chun-Wei; Xie, Ming-Yuan; Huang, Wun-Jhih; Chen, Jhy-Der","Diverse Ag(i) complexes constructed from asymmetric pyridyl and pyrimidyl amide ligands: roles of Ag⋯Ag and π‒π interactions","CrystEngComm","2012","14","23","8143","","10.1039/c2ce25995h","","","0.71073","MoKα","","0.0777","0.0401","","","0.0817","0.0947","","","","","","1.008","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214943","8.5792","0.0002","10.5968","0.0002","17.2908","0.0004","82.52","0.001","89.791","0.001","89.693","0.001","1558.54","0.06","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H27 Ag Cl N5 O10 -","- C30 H27 Ag Cl N5 O10 -","- C60 H54 Ag2 Cl2 N10 O20 -","2","1","","Hsiao, Hui-Lin; Wu, Chia-Jun; Hsu, Wayne; Yeh, Chun-Wei; Xie, Ming-Yuan; Huang, Wun-Jhih; Chen, Jhy-Der","Diverse Ag(i) complexes constructed from asymmetric pyridyl and pyrimidyl amide ligands: roles of Ag⋯Ag and π‒π interactions","CrystEngComm","2012","14","23","8143","","10.1039/c2ce25995h","","","0.71073","MoKα","","0.054","0.0371","","","0.0874","0.0973","","","","","","1.022","","","","has coordinates,has disorder","180480","2020-10-21","18:00:00",""
"7214944","10.9516","0.0012","11.4924","0.0015","12.3178","0.0012","97.684","0.01","115.89","0.007","91.832","0.01","1375.1","0.3","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H22 Ag Cl N6 O10 -","- C26 H22 Ag Cl N6 O10 -","- C52 H44 Ag2 Cl2 N12 O20 -","2","1","","Hsiao, Hui-Lin; Wu, Chia-Jun; Hsu, Wayne; Yeh, Chun-Wei; Xie, Ming-Yuan; Huang, Wun-Jhih; Chen, Jhy-Der","Diverse Ag(i) complexes constructed from asymmetric pyridyl and pyrimidyl amide ligands: roles of Ag⋯Ag and π‒π interactions","CrystEngComm","2012","14","23","8143","","10.1039/c2ce25995h","","","0.71073","MoKα","","0.0445","0.0334","","","0.0802","0.0873","","","","","","1.044","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214945","10.8318","0.0016","11.5968","0.0012","12.2368","0.0015","98.53","0.009","115.595","0.009","91.721","0.009","1363.3","0.3","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H22 Ag B F4 N6 O6 -","- C26 H22 Ag B F4 N6 O6 -","- C52 H44 Ag2 B2 F8 N12 O12 -","2","1","","Hsiao, Hui-Lin; Wu, Chia-Jun; Hsu, Wayne; Yeh, Chun-Wei; Xie, Ming-Yuan; Huang, Wun-Jhih; Chen, Jhy-Der","Diverse Ag(i) complexes constructed from asymmetric pyridyl and pyrimidyl amide ligands: roles of Ag⋯Ag and π‒π interactions","CrystEngComm","2012","14","23","8143","","10.1039/c2ce25995h","","","0.71073","MoKα","","0.1255","0.0542","","","0.092","0.1162","","","","","","1.026","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214946","11.1676","0.0015","11.3893","0.0018","12.6805","0.0012","80.868","0.01","63.9","0.009","88.796","0.012","1427.9","0.3","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H22 Ag F6 N6 O6 P -","- C26 H22 Ag F6 N6 O6 P -","- C52 H44 Ag2 F12 N12 O12 P2 -","2","1","","Hsiao, Hui-Lin; Wu, Chia-Jun; Hsu, Wayne; Yeh, Chun-Wei; Xie, Ming-Yuan; Huang, Wun-Jhih; Chen, Jhy-Der","Diverse Ag(i) complexes constructed from asymmetric pyridyl and pyrimidyl amide ligands: roles of Ag⋯Ag and π‒π interactions","CrystEngComm","2012","14","23","8143","","10.1039/c2ce25995h","","","0.71073","MoKα","","0.0772","0.0405","","","0.0801","0.0943","","","","","","1.011","","","","has coordinates,has disorder","180480","2020-10-21","18:00:00",""
"7214947","5.4242","0.0011","7.3161","0.0015","17.917","0.004","99.69","0.03","94.01","0.03","103.93","0.03","675.7","0.3","110","2","110","2","","","","","","","","4","P -1","-P 1","2","Form 1 of 1:1 nicotinamide and pimelic acid","Form 1 of 1:1 nicotinamide and pimelic acid","","- C13 H18 N2 O5 -","- C13 H18 N2 O5 -","- C26 H36 N4 O10 -","2","1","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Polymorphism and phase transformations of a cocrystal of nicotinamide and pimelic acid","CrystEngComm","2012","14","23","8193","","10.1039/c2ce26151k","","","0.71073","MoKα","","0.0609","0.0554","","","0.1504","0.156","","","","","","1.144","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214948","9.29","0.007","31.04","0.02","4.981","0.004","90","","90","","90","","1436.3","1.8","110","2","110","2","","","","","","","","4","P n a 21","P 2c -2n","33","Form 2 of 1:1 nicotinamide and pimelic acid","Form 2 of 1:1 nicotinamide and pimelic acid","","- C13 H18 N2 O5 -","- C13 H18 N2 O5 -","- C52 H72 N8 O20 -","4","1","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Polymorphism and phase transformations of a cocrystal of nicotinamide and pimelic acid","CrystEngComm","2012","14","23","8193","","10.1039/c2ce26151k","","","0.71075","MoKα","","0.0928","0.0792","","","0.2012","0.2164","","","","","","1.114","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214949","6.594","0.002","12.467","0.004","14.022","0.004","90","","90","","90","","1152.7","0.6","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H10 Dy2 K2 N2 O20 -","- C18 H10 Dy2 K2 N2 O20 -","- C36 H20 Dy4 K4 N4 O40 -","2","0.5","","Gao, Hong-Ling; Yi, Yong-Ling; Hu, Yao-Min; Qu, Jing; Hu, Cong-Cong; Wufu, Riziwanguli; Cui, Jian-Zhong; Zhai, Bin","Syntheses, structures, and properties of 3D lanthanide coordination polymers based on pyridine-2,3,5,6-tetracarboxylate","CrystEngComm","2012","14","23","7965","","10.1039/c2ce26129d","","","0.71073","MoKα","","0.0365","0.0342","","","0.0952","0.0956","","","","","","1.095","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214950","6.571","0.0013","12.445","0.003","14.012","0.003","90","","90","","90","","1145.8","0.4","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H5 Er K N O10 -","- C9 H5 Er K N O10 -","- C36 H20 Er4 K4 N4 O40 -","4","1","","Gao, Hong-Ling; Yi, Yong-Ling; Hu, Yao-Min; Qu, Jing; Hu, Cong-Cong; Wufu, Riziwanguli; Cui, Jian-Zhong; Zhai, Bin","Syntheses, structures, and properties of 3D lanthanide coordination polymers based on pyridine-2,3,5,6-tetracarboxylate","CrystEngComm","2012","14","23","7965","","10.1039/c2ce26129d","","","","","","0.022","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214951","14.12","0.003","12.545","0.003","6.6886","0.0013","90","","90","","90","","1184.8","0.4","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H5 K N Nd O10 -","- C9 H5 K N Nd O10 -","- C36 H20 K4 N4 Nd4 O40 -","4","1","","Gao, Hong-Ling; Yi, Yong-Ling; Hu, Yao-Min; Qu, Jing; Hu, Cong-Cong; Wufu, Riziwanguli; Cui, Jian-Zhong; Zhai, Bin","Syntheses, structures, and properties of 3D lanthanide coordination polymers based on pyridine-2,3,5,6-tetracarboxylate","CrystEngComm","2012","14","23","7965","","10.1039/c2ce26129d","","","0.71073","MoKα","","0.0279","0.0269","","","0.0703","0.0706","","","","","","1.111","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214952","14.7011","0.001","6.143","0.0003","16.075","0.001","90","","114.201","0.008","90","","1324.13","0.16","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H11 N O6 Zn -","- C14 H11 N O6 Zn -","- C56 H44 N4 O24 Zn4 -","4","1","","Gao, Jia-Zhen; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Ten new coordination polymers based on 3-carboxy-1-(4′-carboxybenzyl)-2-oxidopyridinium and different N-donor ligands: syntheses, structures, and photoluminescent properties","CrystEngComm","2012","14","23","8173","","10.1039/c2ce25953b","","","0.71073","MoKα","","0.0525","0.0384","","","0.0848","0.0949","","","","","","1.052","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214953","7.8575","0.0004","10.7958","0.0006","12.5902","0.0007","67.731","0.005","73.063","0.004","80.891","0.004","944.09","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H20 N3 O7 Zn -","- C19 H20 N3 O7 Zn -","- C38 H40 N6 O14 Zn2 -","2","1","","Gao, Jia-Zhen; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Ten new coordination polymers based on 3-carboxy-1-(4′-carboxybenzyl)-2-oxidopyridinium and different N-donor ligands: syntheses, structures, and photoluminescent properties","CrystEngComm","2012","14","23","8173","","10.1039/c2ce25953b","","","0.71073","MoKα","","0.0713","0.0537","","","0.1206","0.1342","","","","","","1.065","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214954","7.6224","0.0005","11.3078","0.0006","13.4989","0.0006","65.261","0.005","74.349","0.005","83.501","0.005","1017.54","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 N3 O7 Zn -","- C20 H22 N3 O7 Zn -","- C40 H44 N6 O14 Zn2 -","2","1","","Gao, Jia-Zhen; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Ten new coordination polymers based on 3-carboxy-1-(4′-carboxybenzyl)-2-oxidopyridinium and different N-donor ligands: syntheses, structures, and photoluminescent properties","CrystEngComm","2012","14","23","8173","","10.1039/c2ce25953b","","","0.71073","MoKα","","0.0732","0.0555","","","0.1315","0.146","","","","","","1.045","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214955","28.951","0.003","7.6653","0.0003","21.991","0.004","90","","128.355","0.018","90","","3827","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H19 N4 O7.5 Zn -","- C18 H19 N4 O7.5 Zn -","- C144 H152 N32 O60 Zn8 -","8","1","","Gao, Jia-Zhen; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Ten new coordination polymers based on 3-carboxy-1-(4′-carboxybenzyl)-2-oxidopyridinium and different N-donor ligands: syntheses, structures, and photoluminescent properties","CrystEngComm","2012","14","23","8173","","10.1039/c2ce25953b","","","0.71073","MoKα","","0.0834","0.0491","","","0.0813","0.0925","","","","","","1.009","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214956","11.6011","0.0003","16.3324","0.0005","12.0354","0.0004","90","","93.807","0.003","90","","2275.36","0.12","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H19 N3 O6 Zn -","- C26 H19 N3 O6 Zn -","- C104 H76 N12 O24 Zn4 -","4","1","","Gao, Jia-Zhen; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Ten new coordination polymers based on 3-carboxy-1-(4′-carboxybenzyl)-2-oxidopyridinium and different N-donor ligands: syntheses, structures, and photoluminescent properties","CrystEngComm","2012","14","23","8173","","10.1039/c2ce25953b","","","0.71073","MoKα","","0.0575","0.039","","","0.0834","0.0931","","","","","","1.027","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214957","11.4242","0.0003","16.2523","0.0004","12.0073","0.0004","90","","92.448","0.003","90","","2227.36","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H19 Cu N3 O6 -","- C26 H19 Cu N3 O6 -","- C104 H76 Cu4 N12 O24 -","4","1","","Gao, Jia-Zhen; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Ten new coordination polymers based on 3-carboxy-1-(4′-carboxybenzyl)-2-oxidopyridinium and different N-donor ligands: syntheses, structures, and photoluminescent properties","CrystEngComm","2012","14","23","8173","","10.1039/c2ce25953b","","","0.71073","MoKα","","0.0516","0.0374","","","0.0809","0.0866","","","","","","1.034","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214958","14.3716","0.0005","14.1848","0.0005","21.9961","0.0008","90","","106.675","0.004","90","","4295.5","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H17 Cd N3 O5 -","- C26 H17 Cd N3 O5 -","- C208 H136 Cd8 N24 O40 -","8","1","","Gao, Jia-Zhen; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Ten new coordination polymers based on 3-carboxy-1-(4′-carboxybenzyl)-2-oxidopyridinium and different N-donor ligands: syntheses, structures, and photoluminescent properties","CrystEngComm","2012","14","23","8173","","10.1039/c2ce25953b","","","0.71073","MoKα","","0.0429","0.0337","","","0.0725","0.0781","","","","","","1.023","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214959","11.533","0.0006","14.292","0.0006","29.317","0.0008","92.071","0.003","90.977","0.003","103.047","0.004","4702.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C95 H90 Cd5 N15 O30 -","- C95 H90 Cd5 N15 O30 -","- C190 H180 Cd10 N30 O60 -","2","1","","Gao, Jia-Zhen; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Ten new coordination polymers based on 3-carboxy-1-(4′-carboxybenzyl)-2-oxidopyridinium and different N-donor ligands: syntheses, structures, and photoluminescent properties","CrystEngComm","2012","14","23","8173","","10.1039/c2ce25953b","","","0.71069","MoKα","","0.0784","0.0436","","","0.1002","0.1238","","","","","","1.048","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214960","23.4087","0.0008","9.5727","0.0002","18.3298","0.0006","90","","108.456","0.004","90","","3896.2","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H20 Co N3 O7 -","- C19 H13 Co N3 O7 -","- C152 H104 Co8 N24 O56 -","8","1","","Gao, Jia-Zhen; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Ten new coordination polymers based on 3-carboxy-1-(4′-carboxybenzyl)-2-oxidopyridinium and different N-donor ligands: syntheses, structures, and photoluminescent properties","CrystEngComm","2012","14","23","8173","","10.1039/c2ce25953b","","","0.71073","MoKα","","0.0627","0.0495","","","0.1265","0.137","","","","","","1.062","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214961","9.6198","0.0005","10.3436","0.0006","10.9062","0.0006","68.259","0.005","85.928","0.004","86.388","0.004","1004.68","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H22 N3 Ni O8 -","- C19 H20 N3 Ni O8 -","- C38 H40 N6 Ni2 O16 -","2","1","","Gao, Jia-Zhen; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Ten new coordination polymers based on 3-carboxy-1-(4′-carboxybenzyl)-2-oxidopyridinium and different N-donor ligands: syntheses, structures, and photoluminescent properties","CrystEngComm","2012","14","23","8173","","10.1039/c2ce25953b","","","0.71073","MoKα","","0.0635","0.0459","","","0.1139","0.1265","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214962","12.7419","0.0004","12.7419","0.0004","14.2617","0.0009","90","","90","","90","","2315.47","0.18","273","2","273","2","","","","","","","","6","I 41","I 4bw","80","","","","- C18 H18 Co N12 O4 S -","- C18 H18 Co N12 O4 S -","- C72 H72 Co4 N48 O16 S4 -","4","0.5","","Tan, Yu-Hui; Wu, Jin-Ji; Zhou, Hai-Yun; Yang, Li-Fei; Ye, Bao-Hui","Anion and pH induced spontaneous resolution of Δ- and Λ-[M(H2Biim)3]SO4 (M = Ru2+, Co2+, Ni2+, Mn2+, Fe2+, and Zn2+) enantiomers","CrystEngComm","2012","14","23","8117","","10.1039/c2ce26334c","","","0.71073","MoKα","","0.0245","0.0229","","","0.0575","0.0583","","","","","","1.015","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214963","12.6811","0.0004","12.6811","0.0004","14.2077","0.0008","90","","90","","90","","2284.74","0.16","153","2","153","2","","","","","","","","6","I 41","I 4bw","80","","","","- C18 H18 N12 Ni O4 S -","- C18 H18 N12 Ni O4 S -","- C72 H72 N48 Ni4 O16 S4 -","4","0.5","","Tan, Yu-Hui; Wu, Jin-Ji; Zhou, Hai-Yun; Yang, Li-Fei; Ye, Bao-Hui","Anion and pH induced spontaneous resolution of Δ- and Λ-[M(H2Biim)3]SO4 (M = Ru2+, Co2+, Ni2+, Mn2+, Fe2+, and Zn2+) enantiomers","CrystEngComm","2012","14","23","8117","","10.1039/c2ce26334c","","","1.54184","CuKα","","0.0339","0.0298","","","0.0703","0.0741","","","","","","1.043","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7214964","12.8487","0.0016","12.8487","0.0016","14.526","0.002","90","","90","","90","","2398.1","0.5","273","2","273","2","","","","","","","","6","I 41","I 4bw","80","","","","- C18 H18 Mn N12 O4 S -","- C18 H18 Mn N12 O4 S -","- C72 H72 Mn4 N48 O16 S4 -","4","0.5","","Tan, Yu-Hui; Wu, Jin-Ji; Zhou, Hai-Yun; Yang, Li-Fei; Ye, Bao-Hui","Anion and pH induced spontaneous resolution of Δ- and Λ-[M(H2Biim)3]SO4 (M = Ru2+, Co2+, Ni2+, Mn2+, Fe2+, and Zn2+) enantiomers","CrystEngComm","2012","14","23","8117","","10.1039/c2ce26334c","","","0.71073","MoKα","","0.0591","0.0533","","","0.1581","0.1625","","","","","","0.973","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214965","12.866","0.0003","12.866","0.0003","14.3888","0.0005","90","","90","","90","","2381.83","0.11","153","2","153","2","","","","","","","","6","I 41","I 4bw","80","","","","- C18 H18 Fe N12 O4 S -","- C18 H18 Fe N12 O4 S -","- C72 H72 Fe4 N48 O16 S4 -","4","0.5","","Tan, Yu-Hui; Wu, Jin-Ji; Zhou, Hai-Yun; Yang, Li-Fei; Ye, Bao-Hui","Anion and pH induced spontaneous resolution of Δ- and Λ-[M(H2Biim)3]SO4 (M = Ru2+, Co2+, Ni2+, Mn2+, Fe2+, and Zn2+) enantiomers","CrystEngComm","2012","14","23","8117","","10.1039/c2ce26334c","","","0.71073","MoKα","","0.0323","0.0296","","","0.0767","0.079","","","","","","1.025","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214966","12.783","0.002","12.783","0.002","14.358","0.005","90","","90","","90","","2346.2","1","273","2","273","2","","","","","","","","6","I 41","I 4bw","80","","","","- C18 H18 N12 O4 S Zn -","- C18 H18 N12 O4 S Zn -","- C72 H72 N48 O16 S4 Zn4 -","4","0.5","","Tan, Yu-Hui; Wu, Jin-Ji; Zhou, Hai-Yun; Yang, Li-Fei; Ye, Bao-Hui","Anion and pH induced spontaneous resolution of Δ- and Λ-[M(H2Biim)3]SO4 (M = Ru2+, Co2+, Ni2+, Mn2+, Fe2+, and Zn2+) enantiomers","CrystEngComm","2012","14","23","8117","","10.1039/c2ce26334c","","","0.71073","MoKα","","0.0816","0.0495","","","0.0915","0.1063","","","","","","0.975","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214967","12.5812","0.0008","12.5812","0.0008","14.2715","0.0017","90","","90","","90","","2259","0.3","273","2","273","2","","","","","","","","6","I 41","I 4bw","80","","","","- C18 H18 N12 O4 Ru S -","- C18 H18 N12 O4 Ru S -","- C72 H72 N48 O16 Ru4 S4 -","4","0.5","","Tan, Yu-Hui; Wu, Jin-Ji; Zhou, Hai-Yun; Yang, Li-Fei; Ye, Bao-Hui","Anion and pH induced spontaneous resolution of Δ- and Λ-[M(H2Biim)3]SO4 (M = Ru2+, Co2+, Ni2+, Mn2+, Fe2+, and Zn2+) enantiomers","CrystEngComm","2012","14","23","8117","","10.1039/c2ce26334c","","","0.71073","MoKα","","0.0741","0.0706","","","0.191","0.1932","","","","","","1.129","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7214968","12.7455","0.0004","12.7455","0.0004","14.2641","0.0009","90","","90","","90","","2317.17","0.18","273","2","273","2","","","","","","","","6","I 41","I 4bw","80","","","","- C18 H18 Co N12 O4 S -","- C18 H18 Co N12 O4 S -","- C72 H72 Co4 N48 O16 S4 -","4","0.5","","Tan, Yu-Hui; Wu, Jin-Ji; Zhou, Hai-Yun; Yang, Li-Fei; Ye, Bao-Hui","Anion and pH induced spontaneous resolution of Δ- and Λ-[M(H2Biim)3]SO4 (M = Ru2+, Co2+, Ni2+, Mn2+, Fe2+, and Zn2+) enantiomers","CrystEngComm","2012","14","23","8117","","10.1039/c2ce26334c","","","0.71073","MoKα","","0.0306","0.0286","","","0.0774","0.0795","","","","","","1.083","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214969","12.6871","0.0003","12.6871","0.0003","14.2044","0.0004","90","","90","","90","","2286.38","0.1","153","2","153","2","","","","","","","","6","I 41","I 4bw","80","","","","- C20 H18 N10 Ni O4 S -","- C18 H18 N12 Ni O4 S -","- C72 H72 N48 Ni4 O16 S4 -","4","0.5","","Tan, Yu-Hui; Wu, Jin-Ji; Zhou, Hai-Yun; Yang, Li-Fei; Ye, Bao-Hui","Anion and pH induced spontaneous resolution of Δ- and Λ-[M(H2Biim)3]SO4 (M = Ru2+, Co2+, Ni2+, Mn2+, Fe2+, and Zn2+) enantiomers","CrystEngComm","2012","14","23","8117","","10.1039/c2ce26334c","","","1.54184","CuKα","","0.0564","0.054","","","0.1322","0.1355","","","","","","1.129","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214970","12.8656","0.0006","12.8656","0.0006","14.5185","0.0013","90","","90","","90","","2403.2","0.3","273","2","273","2","","","","","","","","6","I 41","I 4bw","80","","","","- C18 H18 Mn N12 O4 S -","- C18 H18 Mn N12 O4 S -","- C72 H72 Mn4 N48 O16 S4 -","4","0.5","","Tan, Yu-Hui; Wu, Jin-Ji; Zhou, Hai-Yun; Yang, Li-Fei; Ye, Bao-Hui","Anion and pH induced spontaneous resolution of Δ- and Λ-[M(H2Biim)3]SO4 (M = Ru2+, Co2+, Ni2+, Mn2+, Fe2+, and Zn2+) enantiomers","CrystEngComm","2012","14","23","8117","","10.1039/c2ce26334c","","","0.71073","MoKα","","0.0385","0.035","","","0.088","0.0899","","","","","","1.05","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214971","12.8616","0.0004","12.8616","0.0004","14.383","0.0006","90","","90","","90","","2379.25","0.14","153","2","153","2","","","","","","","","6","I 41","I 4bw","80","","","","- C18 H18 Fe N12 O4 S -","- C18 H18 Fe N12 O4 S -","- C72 H72 Fe4 N48 O16 S4 -","4","0.5","","Tan, Yu-Hui; Wu, Jin-Ji; Zhou, Hai-Yun; Yang, Li-Fei; Ye, Bao-Hui","Anion and pH induced spontaneous resolution of Δ- and Λ-[M(H2Biim)3]SO4 (M = Ru2+, Co2+, Ni2+, Mn2+, Fe2+, and Zn2+) enantiomers","CrystEngComm","2012","14","23","8117","","10.1039/c2ce26334c","","","0.71073","MoKα","","0.0443","0.0347","","","0.0764","0.0858","","","","","","1.029","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214972","12.8115","0.0014","12.8115","0.0014","14.325","0.003","90","","90","","90","","2351.2","0.6","273","2","273","2","","","","","","","","6","I 41","I 4bw","80","","","","- C18 H18 N12 O4 S Zn -","- C18 H18 N12 O4 S Zn -","- C72 H72 N48 O16 S4 Zn4 -","4","0.5","","Tan, Yu-Hui; Wu, Jin-Ji; Zhou, Hai-Yun; Yang, Li-Fei; Ye, Bao-Hui","Anion and pH induced spontaneous resolution of Δ- and Λ-[M(H2Biim)3]SO4 (M = Ru2+, Co2+, Ni2+, Mn2+, Fe2+, and Zn2+) enantiomers","CrystEngComm","2012","14","23","8117","","10.1039/c2ce26334c","","","0.71073","MoKα","","0.0449","0.0365","","","0.0815","0.0866","","","","","","1.019","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7214973","12.561","0.003","20.722","0.004","23.556","0.005","90","","99.26","0.03","90","","6051","2","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Co N12 O4 S -","- C18 H18 Co N12 O4 S -","- C144 H144 Co8 N96 O32 S8 -","8","2","","Tan, Yu-Hui; Wu, Jin-Ji; Zhou, Hai-Yun; Yang, Li-Fei; Ye, Bao-Hui","Anion and pH induced spontaneous resolution of Δ- and Λ-[M(H2Biim)3]SO4 (M = Ru2+, Co2+, Ni2+, Mn2+, Fe2+, and Zn2+) enantiomers","CrystEngComm","2012","14","23","8117","","10.1039/c2ce26334c","","","0.71073","MoKα","","0.0753","0.0594","","","0.1782","0.1893","","","","","","1.077","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214974","26.859","0.004","12.2673","0.0018","17.083","0.003","90","","124.59","0.002","90","","4633.7","1.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H36 Co3 N4 O17 -","- C50 H36 Co3 N4 O17 -","- C200 H144 Co12 N16 O68 -","4","0.5","","Qin, Ling; Hu, Jin-Song; Zhang, Ming-Dao; Li, Yi-Zhi; Zheng, He-Gen","Construction of a series of metal‒organic frameworks with a neutral tetradentate ligand and rigid carboxylate co-ligands","CrystEngComm","2012","14","23","8274","","10.1039/c2ce26236c","","","0.71073","MoKα","","0.0397","0.0346","","","0.0959","0.0991","","","","","","1.064","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214975","26.909","0.005","12.17","0.003","17.157","0.003","90","","124.694","0.003","90","","4619.6","1.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H36 N4 O17 Zn3 -","- C50 H36 N4 O17 Zn3 -","- C200 H144 N16 O68 Zn12 -","4","0.5","","Qin, Ling; Hu, Jin-Song; Zhang, Ming-Dao; Li, Yi-Zhi; Zheng, He-Gen","Construction of a series of metal‒organic frameworks with a neutral tetradentate ligand and rigid carboxylate co-ligands","CrystEngComm","2012","14","23","8274","","10.1039/c2ce26236c","","","0.71073","MoKα","","0.0738","0.0477","","","0.0835","0.0885","","","","","","1.006","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7214976","18.833","0.005","13.696","0.003","30.322","0.008","90","","107.039","0.005","90","","7478","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H29 N4 O7 Zn -","- C44 H29 N4 O7 Zn -","- C352 H232 N32 O56 Zn8 -","8","1","","Qin, Ling; Hu, Jin-Song; Zhang, Ming-Dao; Li, Yi-Zhi; Zheng, He-Gen","Construction of a series of metal‒organic frameworks with a neutral tetradentate ligand and rigid carboxylate co-ligands","CrystEngComm","2012","14","23","8274","","10.1039/c2ce26236c","","","0.71073","MoKα","","0.0786","0.0494","","","0.0996","0.1077","","","","","","0.842","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7214977","10.239","0.01","14.746","0.006","16.5153","0.0016","93.983","0.0015","101.479","0.0015","105.624","0.0015","2333","2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H36 N4 O12 Zn2 -","- C48 H36 N4 O12 Zn2 -","- C96 H72 N8 O24 Zn4 -","2","1","","Qin, Ling; Hu, Jin-Song; Zhang, Ming-Dao; Li, Yi-Zhi; Zheng, He-Gen","Construction of a series of metal‒organic frameworks with a neutral tetradentate ligand and rigid carboxylate co-ligands","CrystEngComm","2012","14","23","8274","","10.1039/c2ce26236c","","","0.71073","MoKα","","0.1603","0.0965","","","0.2092","0.2239","","","","","","1.01","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7214978","14.2461","0.0016","21.754","0.003","11.6482","0.0013","90","","95.942","0.002","90","","3590.5","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H32 Cd N4 O8 -","- C40 H32 Cd N4 O8 -","- C160 H128 Cd4 N16 O32 -","4","1","","Qin, Ling; Hu, Jin-Song; Zhang, Ming-Dao; Li, Yi-Zhi; Zheng, He-Gen","Construction of a series of metal‒organic frameworks with a neutral tetradentate ligand and rigid carboxylate co-ligands","CrystEngComm","2012","14","23","8274","","10.1039/c2ce26236c","","","0.71073","MoKα","","0.0529","0.0479","","","0.1385","0.1428","","","","","","1.087","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7214979","14.0498","0.0012","20.914","0.0017","11.6127","0.0009","90","","94.684","0.002","90","","3400.9","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H30 N4 Ni O7 -","- C40 H30 N4 Ni O7 -","- C160 H120 N16 Ni4 O28 -","4","1","","Qin, Ling; Hu, Jin-Song; Zhang, Ming-Dao; Li, Yi-Zhi; Zheng, He-Gen","Construction of a series of metal‒organic frameworks with a neutral tetradentate ligand and rigid carboxylate co-ligands","CrystEngComm","2012","14","23","8274","","10.1039/c2ce26236c","","","0.71073","MoKα","","0.0631","0.0547","","","0.1612","0.1677","","","","","","1.076","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7214980","15.273","0.002","21.836","0.003","16.089","0.002","90","","101.622","0.004","90","","5255.7","1.2","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C66 H104 N46 O59 Sm2 -","- C66 H66 N46 O51 Sm2 -","- C132 H132 N92 O102 Sm4 -","2","0.5","","Chen, Kai; Liang, Li-Li; Liu, Hao-Jing; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Xiao, Xin; Zhu, Qian-Jiang; Lindoy, Leonard F.; Wei, Gang","Hydroquinone-assisted assembly of coordination polymers from lanthanides and cucurbit[5]uril","CrystEngComm","2012","14","23","7994","","10.1039/c2ce26200b","","","0.71073","MoKα","","0.0546","0.0474","","","0.1385","0.1426","","","","","","1.077","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214981","14.465","0.005","14.465","0.003","45.866","0.012","90","","90","","120","","8311","4","223","2","223","2","","","","","","","","6","P 61","P 61","169","","","","- C36 H64 Cl Er N22 O32 -","- C36 H36 Cl Er N22 O22 -","- C216 H216 Cl6 Er6 N132 O132 -","6","1","","Chen, Kai; Liang, Li-Li; Liu, Hao-Jing; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Xiao, Xin; Zhu, Qian-Jiang; Lindoy, Leonard F.; Wei, Gang","Hydroquinone-assisted assembly of coordination polymers from lanthanides and cucurbit[5]uril","CrystEngComm","2012","14","23","7994","","10.1039/c2ce26200b","","","0.71073","MoKα","","0.0379","0.0368","","","0.0944","0.0948","","","","","","1.079","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214982","20.3","0.005","13.551","0.003","20.469","0.005","90","","90","","90","","5631","2","223","2","223","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C36 H64 Cl La N22 O32 -","- C36 H36 Cl La N22 O22 -","- C144 H144 Cl4 La4 N88 O88 -","4","0.5","","Chen, Kai; Liang, Li-Li; Liu, Hao-Jing; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Xiao, Xin; Zhu, Qian-Jiang; Lindoy, Leonard F.; Wei, Gang","Hydroquinone-assisted assembly of coordination polymers from lanthanides and cucurbit[5]uril","CrystEngComm","2012","14","23","7994","","10.1039/c2ce26200b","","","0.71073","MoKα","","0.0515","0.0458","","","0.1419","0.147","","","","","","1.112","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214983","16.821","0.0012","18.5168","0.0013","24.5003","0.0017","106.175","0.002","100.333","0.002","101.696","0.002","6947.6","0.9","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C75 H159 Cl6 Eu3 N43 O76 -","- C75 H75 Cl6 Eu3 N43 O44 -","- C150 H150 Cl12 Eu6 N86 O88 -","2","1","","Chen, Kai; Liang, Li-Li; Liu, Hao-Jing; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Xiao, Xin; Zhu, Qian-Jiang; Lindoy, Leonard F.; Wei, Gang","Hydroquinone-assisted assembly of coordination polymers from lanthanides and cucurbit[5]uril","CrystEngComm","2012","14","23","7994","","10.1039/c2ce26200b","","","0.71073","MoKα","","0.0546","0.0463","","","0.1421","0.1488","","","","","","1.084","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214984","17.065","0.005","18.41","0.005","24.35","0.006","105.555","0.003","100.01","0.004","102.267","0.004","6982","3","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H182 Cl9 Gd3 N40 O80 -","- C66 H66 Cl9 Gd3 N40 O32 -","- C132 H132 Cl18 Gd6 N80 O64 -","2","1","","Chen, Kai; Liang, Li-Li; Liu, Hao-Jing; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Xiao, Xin; Zhu, Qian-Jiang; Lindoy, Leonard F.; Wei, Gang","Hydroquinone-assisted assembly of coordination polymers from lanthanides and cucurbit[5]uril","CrystEngComm","2012","14","23","7994","","10.1039/c2ce26200b","","","0.71073","MoKα","","0.1006","0.0642","","","0.1727","0.1884","","","","","","0.954","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214985","14.4478","0.0018","14.4478","0.0018","46.109","0.012","90","","90","","120","","8335","3","223","2","223","2","","","","","","","","5","P 61","P 61","169","","","","- C36 H62 Dy N23 O34 -","- C36 H36 Dy N23 O25 -","- C216 H216 Dy6 N138 O150 -","6","1","","Chen, Kai; Liang, Li-Li; Liu, Hao-Jing; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Xiao, Xin; Zhu, Qian-Jiang; Lindoy, Leonard F.; Wei, Gang","Hydroquinone-assisted assembly of coordination polymers from lanthanides and cucurbit[5]uril","CrystEngComm","2012","14","23","7994","","10.1039/c2ce26200b","","","0.71073","MoKα","","0.0467","0.042","","","0.107","0.1091","","","","","","1.05","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214986","14.499","0.004","14.499","","45.818","0.012","90","","90","","120","","8341","3","223","2","223","2","","","","","","","","6","P 61","P 61","169","","","","- C36 H68 Cl3 N20 O28 Yb -","- C36 H36 Cl3 N20 O16 Yb -","- C216 H216 Cl18 N120 O96 Yb6 -","6","1","","Chen, Kai; Liang, Li-Li; Liu, Hao-Jing; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Xiao, Xin; Zhu, Qian-Jiang; Lindoy, Leonard F.; Wei, Gang","Hydroquinone-assisted assembly of coordination polymers from lanthanides and cucurbit[5]uril","CrystEngComm","2012","14","23","7994","","10.1039/c2ce26200b","","","0.71073","MoKα","","0.0371","0.0358","","","0.0888","0.0893","","","","","","1.124","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214987","14.515","0.004","14.515","","45.826","0.013","90","","90","","120","","8361","3","223","2","223","2","","","","","","","","6","P 61","P 61","169","","","","- C36 H74 Cl3 Lu N20 O29 -","- C36 H36 Cl3 Lu N20 O16 -","- C216 H216 Cl18 Lu6 N120 O96 -","6","1","","Chen, Kai; Liang, Li-Li; Liu, Hao-Jing; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Xiao, Xin; Zhu, Qian-Jiang; Lindoy, Leonard F.; Wei, Gang","Hydroquinone-assisted assembly of coordination polymers from lanthanides and cucurbit[5]uril","CrystEngComm","2012","14","23","7994","","10.1039/c2ce26200b","","","0.71073","MoKα","","0.0725","0.0701","","","0.167","0.1684","","","","","","1.129","","","","has coordinates,has disorder","180480","2020-10-21","18:00:00",""
"7214988","23.3223","0.0018","10.6962","0.0007","15.7966","0.0012","90","","111.051","0.009","90","","3677.6","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H30 Mg N2 O14 Zn2 -","- C32 H30 Mg N2 O14 Zn2 -","- C128 H120 Mg4 N8 O56 Zn8 -","4","0.5","","Zhang, Xin; Huang, Yuan-Yuan; Cheng, Jian-Kai; Yao, Yuan-Gen; Zhang, Jian; Wang, Fei","Alkaline earth metal ion doped Zn(ii)-terephthalates","CrystEngComm","2012","14","14","4843","","10.1039/c2ce25440a","","","0.71073","MoKα","","0.0572","0.043","","","0.1234","0.1393","","","","","","0.924","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214989","10.311","0.0004","18.4014","0.0013","14.3666","0.0009","90","","99.825","0.005","90","","2685.9","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 Ca N2 O10 Zn -","- C24 H26 Ca N2 O10 Zn -","- C96 H104 Ca4 N8 O40 Zn4 -","4","1","","Zhang, Xin; Huang, Yuan-Yuan; Cheng, Jian-Kai; Yao, Yuan-Gen; Zhang, Jian; Wang, Fei","Alkaline earth metal ion doped Zn(ii)-terephthalates","CrystEngComm","2012","14","14","4843","","10.1039/c2ce25440a","","","0.71073","MoKα","","0.0773","0.0485","","","0.1077","0.1233","","","","","","1.028","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214990","10.4064","0.0005","18.5332","0.0009","14.4984","0.0008","90","","100.153","0.005","90","","2752.4","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 N2 O10 Sr Zn -","- C24 H26 N2 O10 Sr Zn -","- C96 H104 N8 O40 Sr4 Zn4 -","4","1","","Zhang, Xin; Huang, Yuan-Yuan; Cheng, Jian-Kai; Yao, Yuan-Gen; Zhang, Jian; Wang, Fei","Alkaline earth metal ion doped Zn(ii)-terephthalates","CrystEngComm","2012","14","14","4843","","10.1039/c2ce25440a","","","0.71073","MoKα","","0.0597","0.0424","","","0.1225","0.1357","","","","","","0.936","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214991","15.1637","0.0006","19.0644","0.0006","12.6634","0.0005","90","","112.767","0.005","90","","3375.6","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H16 Ba N2 O16 Zn2 -","- C30 H16 Ba N2 O16 Zn2 -","- C120 H64 Ba4 N8 O64 Zn8 -","4","0.5","","Zhang, Xin; Huang, Yuan-Yuan; Cheng, Jian-Kai; Yao, Yuan-Gen; Zhang, Jian; Wang, Fei","Alkaline earth metal ion doped Zn(ii)-terephthalates","CrystEngComm","2012","14","14","4843","","10.1039/c2ce25440a","","","0.71073","MoKα","","0.0323","0.0259","","","0.0633","0.067","","","","","","1.023","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214992","5.399","0.0001","15.755","0.0004","20.698","0.0005","90","","90","","90","","1760.6","0.07","298","2","298","2","","","","","","","Crystal Screening","5","P 21 21 21","P 2ac 2ab","19","lamivudine hydrogen phthalate","4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-(1H)-pyrimidin-2-one hydrogen phthalate","","- C16 H17 N3 O7 S -","- C16 H17 N3 O7 S -","- C64 H68 N12 O28 S4 -","4","1","","Capeletti da Silva, Cameron; Coelho, Renan Rezende; de Lima Cirqueira, Marilia; Campos de Melo, Ariane Carla; Landre Rosa, Iara Maria; Ellena, Javier; Martins, Felipe Terra","Salts of the anti-HIV drug lamivudine with phthalic and salicylic acids","CrystEngComm","2012","14","14","4562","","10.1039/c2ce25386k","","","0.71073","MoKα","","0.0566","0.0387","","","0.0958","0.1042","","","","","","1.022","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214993","12.7246","0.0012","5.2978","0.0003","13.1688","0.0009","90","","106.129","0.008","90","","852.8","0.12","107.4","0.2","107.4","0.2","","","","","","","Crystal Screening","5","P 1 21 1","P 2yb","4","lamivudine salicylate monohydrate","4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-(1H)-pyrimidin-2-one salicylate monohydrate","","- C15 H19 N3 O7 S -","- C15 H19 N3 O7 S -","- C30 H38 N6 O14 S2 -","2","1","","Capeletti da Silva, Cameron; Coelho, Renan Rezende; de Lima Cirqueira, Marilia; Campos de Melo, Ariane Carla; Landre Rosa, Iara Maria; Ellena, Javier; Martins, Felipe Terra","Salts of the anti-HIV drug lamivudine with phthalic and salicylic acids","CrystEngComm","2012","14","14","4562","","10.1039/c2ce25386k","","","1.54184","CuKα","","0.0598","0.0429","","","0.0933","0.1063","","","","","","1.064","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214994","18.007","0.003","18.007","0.003","19.288","0.004","90","","90","","120","","5416.3","1.7","293","2","293","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C72 H48 Cd3 K N6 O15 -","- C72 H48 Cd3 K N6 O15 -","- C144 H96 Cd6 K2 N12 O30 -","2","0.166667","","Zhou, Xiaojing; Li, Baiyan; Li, Guanghua; zhou, Qi; Shi, Zhan; Feng, Shouhua","Synthesis, structures and luminescent properties of cadmium(ii) metal organic frameworks based on 3-pyrid-4-ylbenzoic acid, 4-pyrid-4-ylbenzoic acid ligands","CrystEngComm","2012","14","14","4664","","10.1039/c2ce25328c","","","0.71073","MoKα","","0.0746","0.0619","","","0.1541","0.162","","","","","","1.11","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214995","14.498","0.003","14.899","0.003","17.473","0.004","90","","90","","90","","3774.3","1.4","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C96 H64 Cd4 N8 O16 -","- C96 H64 Cd4 N8 O16 -","- C96 H64 Cd4 N8 O16 -","1","0.125","","Zhou, Xiaojing; Li, Baiyan; Li, Guanghua; zhou, Qi; Shi, Zhan; Feng, Shouhua","Synthesis, structures and luminescent properties of cadmium(ii) metal organic frameworks based on 3-pyrid-4-ylbenzoic acid, 4-pyrid-4-ylbenzoic acid ligands","CrystEngComm","2012","14","14","4664","","10.1039/c2ce25328c","","","0.71073","MoKα","","0.0599","0.0458","","","0.1393","0.1473","","","","","","1.108","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214996","6.1603","0.0001","6.3726","0.0002","17.9756","0.0005","97.743","0.002","99.269","0.002","96.969","0.002","682.69","0.03","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C4 H16 N10 O6 Se -","- C4 H16 N10 O6 Se -","- C8 H32 N20 O12 Se2 -","2","1","","Matulková, Irena; Cihelka, Jaroslav; Pojarová, Michaela; Fejfarová, Karla; Dušek, Michal; Vaněk, Přemysl; Kroupa, Jan; Krupková, Radmila; Fábry, Jan; Němec, Ivan","A new series of 3,5-diamino-1,2,4-triazolium(1+) inorganic salts and their potential in crystal engineering of novel NLO materials","CrystEngComm","2012","14","14","4625","","10.1039/c2ce00024e","","","1.54184","CuKα","","0.0223","0.0221","","","0.0763","0.0765","","","","1.87","1.87","1.86","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214997","6.1197","0.0002","6.341","0.0002","17.7076","0.0006","99.528","0.003","98.22","0.003","96.967","0.003","663.26","0.04","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C4 H16 N10 O6 S -","- C4 H16 N10 O6 S -","- C8 H32 N20 O12 S2 -","2","1","","Matulková, Irena; Cihelka, Jaroslav; Pojarová, Michaela; Fejfarová, Karla; Dušek, Michal; Vaněk, Přemysl; Kroupa, Jan; Krupková, Radmila; Fábry, Jan; Němec, Ivan","A new series of 3,5-diamino-1,2,4-triazolium(1+) inorganic salts and their potential in crystal engineering of novel NLO materials","CrystEngComm","2012","14","14","4625","","10.1039/c2ce00024e","","","1.54184","CuKα","","0.0315","0.027","","","0.0824","0.0848","","","","1.8","1.8","1.74","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214998","6.0701","0.0001","24.6727","0.0006","8.1489","0.0002","90","","93.766","0.002","90","","1217.79","0.05","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C2 H7 Cl N5 O0.5 -","- C2 H7 Cl N5 O0.5 -","- C16 H56 Cl8 N40 O4 -","8","2","","Matulková, Irena; Cihelka, Jaroslav; Pojarová, Michaela; Fejfarová, Karla; Dušek, Michal; Vaněk, Přemysl; Kroupa, Jan; Krupková, Radmila; Fábry, Jan; Němec, Ivan","A new series of 3,5-diamino-1,2,4-triazolium(1+) inorganic salts and their potential in crystal engineering of novel NLO materials","CrystEngComm","2012","14","14","4625","","10.1039/c2ce00024e","","","1.54178","CuKα","","0.0298","0.029","","","0.0764","0.0771","","","","","","1.038","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214999","5.3075","0.0002","7.5977","0.0004","9.161","0.0005","74.424","0.005","84.547","0.004","83.648","0.004","352.84","0.03","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H12 Cl2 N10 O8 -","- C2 H6 Cl N5 O4 -","- C4 H12 Cl2 N10 O8 -","2","1","","Matulková, Irena; Cihelka, Jaroslav; Pojarová, Michaela; Fejfarová, Karla; Dušek, Michal; Vaněk, Přemysl; Kroupa, Jan; Krupková, Radmila; Fábry, Jan; Němec, Ivan","A new series of 3,5-diamino-1,2,4-triazolium(1+) inorganic salts and their potential in crystal engineering of novel NLO materials","CrystEngComm","2012","14","14","4625","","10.1039/c2ce00024e","","","1.54178","CuKα","","0.0284","0.0278","","","0.0741","0.0745","","","","","","1.064","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7215000","8.1688","0.0001","11.4624","0.0002","7.7423","0.0001","90","","96.106","0.001","90","","720.83","0.018","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H8 N5 O3 P -","- C2 H8 N5 O3 P -","- C8 H32 N20 O12 P4 -","4","1","","Matulková, Irena; Cihelka, Jaroslav; Pojarová, Michaela; Fejfarová, Karla; Dušek, Michal; Vaněk, Přemysl; Kroupa, Jan; Krupková, Radmila; Fábry, Jan; Němec, Ivan","A new series of 3,5-diamino-1,2,4-triazolium(1+) inorganic salts and their potential in crystal engineering of novel NLO materials","CrystEngComm","2012","14","14","4625","","10.1039/c2ce00024e","","","1.54184","CuKα","","0.0286","0.0281","","","0.0714","0.0718","","","","","","0.883","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215001","9.5195","0.0001","9.1","0.0001","7.4127","0.0001","90","","95.988","0.001","90","","638.64","0.013","120","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H24 N44 O12 -","- C2 H6 N6 O3 -","- C8 H24 N24 O12 -","4","1","","Matulková, Irena; Cihelka, Jaroslav; Pojarová, Michaela; Fejfarová, Karla; Dušek, Michal; Vaněk, Přemysl; Kroupa, Jan; Krupková, Radmila; Fábry, Jan; Němec, Ivan","A new series of 3,5-diamino-1,2,4-triazolium(1+) inorganic salts and their potential in crystal engineering of novel NLO materials","CrystEngComm","2012","14","14","4625","","10.1039/c2ce00024e","","","1.54178","CuKα","","0.0293","0.0281","","","0.0769","0.0781","","","","","","1.117","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215002","13.3492","0.0004","37.1096","0.0012","6.0702","0.0002","90","","90","","90","","3007.08","0.17","120","","120","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C2 H8 N5 O4 P -","- C2 H8 N5 O4 P -","- C32 H128 N80 O64 P16 -","16","1","","Matulková, Irena; Cihelka, Jaroslav; Pojarová, Michaela; Fejfarová, Karla; Dušek, Michal; Vaněk, Přemysl; Kroupa, Jan; Krupková, Radmila; Fábry, Jan; Němec, Ivan","A new series of 3,5-diamino-1,2,4-triazolium(1+) inorganic salts and their potential in crystal engineering of novel NLO materials","CrystEngComm","2012","14","14","4625","","10.1039/c2ce00024e","","","1.54184","CuKα","","0.019","0.0189","","","0.0615","0.0617","","","","1.52","1.52","1.52","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215003","15.3484","0.0006","6.9216","0.0003","27.1086","0.0013","90","","99.924","0.004","90","","2836.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H24 N4 O8 Pb2 -","- C48 H24 N4 O8 Pb2 -","- C96 H48 N8 O16 Pb4 -","2","0.5","","Zou, Chao; Xie, Ming-Hua; Kong, Guo-Qiang; Wu, Chuan-De","Five porphyrin-core-dependent metal‒organic frameworks and framework-dependent fluorescent properties","CrystEngComm","2012","14","14","4850","","10.1039/c2ce25357g","","","0.71073","MoKα","","0.0592","0.0399","","","0.0921","0.0988","","","","","","1.037","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215004","11.1613","0.0009","24.1334","0.0012","20.5794","0.0015","90","","91.02","0.007","90","","5542.4","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H33 Co N5 O10 Pb2 -","- C51 H31 Co N5 O10 Pb2 -","- C204 H124 Co4 N20 O40 Pb8 -","4","1","","Zou, Chao; Xie, Ming-Hua; Kong, Guo-Qiang; Wu, Chuan-De","Five porphyrin-core-dependent metal‒organic frameworks and framework-dependent fluorescent properties","CrystEngComm","2012","14","14","4850","","10.1039/c2ce25357g","","","0.71073","MoKα","","0.1526","0.0779","","","0.1556","0.1776","","","","","","1.081","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215005","10.2406","0.0005","24.059","0.001","21.2577","0.0008","90","","93.328","0.004","90","","5228.6","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H33 N5 Ni O10 Pb2 -","- C51 H31 N5 Ni O10 Pb2 -","- C204 H124 N20 Ni4 O40 Pb8 -","4","1","","Zou, Chao; Xie, Ming-Hua; Kong, Guo-Qiang; Wu, Chuan-De","Five porphyrin-core-dependent metal‒organic frameworks and framework-dependent fluorescent properties","CrystEngComm","2012","14","14","4850","","10.1039/c2ce25357g","","","0.71073","MoKα","","0.1193","0.0858","","","0.1783","0.1888","","","","","","1.297","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215006","10.9008","0.0002","24.1824","0.0005","20.8565","0.0006","90","","91.678","0.002","90","","5495.6","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H33 Cu N5 O10 Pb2 -","- C51 H31 Cu N5 O10 Pb2 -","- C204 H124 Cu4 N20 O40 Pb8 -","4","1","","Zou, Chao; Xie, Ming-Hua; Kong, Guo-Qiang; Wu, Chuan-De","Five porphyrin-core-dependent metal‒organic frameworks and framework-dependent fluorescent properties","CrystEngComm","2012","14","14","4850","","10.1039/c2ce25357g","","","0.71073","MoKα","","0.0802","0.0566","","","0.1317","0.141","","","","","","1.142","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215007","8.2432","0.0015","11.539","0.0018","16.397","0.002","100.295","0.012","90.639","0.013","107.891","0.015","1456.7","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H28 N4 O11 Pb2 V -","- C48 H24 N4 O11 Pb2 V -","- C48 H24 N4 O11 Pb2 V -","1","0.5","","Zou, Chao; Xie, Ming-Hua; Kong, Guo-Qiang; Wu, Chuan-De","Five porphyrin-core-dependent metal‒organic frameworks and framework-dependent fluorescent properties","CrystEngComm","2012","14","14","4850","","10.1039/c2ce25357g","","","1.54178","CuKα","","0.1097","0.0898","","","0.2043","0.2161","","","","","","1.006","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215008","9.0802","0.0018","11.246","0.002","19.815","0.006","90","","109.95","0.03","90","","1902","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 N4 O4 Zn -","- C19 H20 N4 O4 Zn -","- C76 H80 N16 O16 Zn4 -","4","1","","Wu, Ya-Pan; Li, Dong-Sheng; Zhao, Jun; Fang, Zi-Fan; Dong, Wen-Wen; Yang, Guo-Ping; Wang, Yao-Yu","Isomeric phenylenediacetates as modular tectons for a series of ZnII/CdII coordination polymers incorporating flexible bis(imidazole) co-ligands","CrystEngComm","2012","14","14","4745","","10.1039/c2ce25076d","","","0.71073","MoKα","","0.0905","0.063","","","0.1569","0.1805","","","","","","0.996","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215009","11.524","0.009","12.671","0.01","15.484","0.012","90","","100.353","0.016","90","","2224","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H26 Cd N4 O5 -","- C21 H24 Cd N4 O5 -","- C84 H96 Cd4 N16 O20 -","4","1","","Wu, Ya-Pan; Li, Dong-Sheng; Zhao, Jun; Fang, Zi-Fan; Dong, Wen-Wen; Yang, Guo-Ping; Wang, Yao-Yu","Isomeric phenylenediacetates as modular tectons for a series of ZnII/CdII coordination polymers incorporating flexible bis(imidazole) co-ligands","CrystEngComm","2012","14","14","4745","","10.1039/c2ce25076d","","","0.71073","MoKα","","0.1047","0.0652","","","0.1547","0.1778","","","","","","0.976","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215010","7.3845","0.0008","9.6801","0.0011","16.41","0.002","86.573","0.001","84.202","0.001","83.407","0.001","1157.9","0.2","296","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H28 N4 O7 Zn -","- C20 H28 N4 O7 Zn -","- C40 H56 N8 O14 Zn2 -","2","1","","Wu, Ya-Pan; Li, Dong-Sheng; Zhao, Jun; Fang, Zi-Fan; Dong, Wen-Wen; Yang, Guo-Ping; Wang, Yao-Yu","Isomeric phenylenediacetates as modular tectons for a series of ZnII/CdII coordination polymers incorporating flexible bis(imidazole) co-ligands","CrystEngComm","2012","14","14","4745","","10.1039/c2ce25076d","","","0.71073","MoKα","","0.0491","0.042","","","0.1092","0.1137","","","","","","1.096","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215011","8.7106","0.0009","10.4086","0.001","10.9644","0.0011","64.405","0.001","69.956","0.001","77.723","0.002","839.79","0.15","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H19 Cd N2 O5 -","- C16 H19 Cd N2 O5 -","- C32 H38 Cd2 N4 O10 -","2","1","","Wu, Ya-Pan; Li, Dong-Sheng; Zhao, Jun; Fang, Zi-Fan; Dong, Wen-Wen; Yang, Guo-Ping; Wang, Yao-Yu","Isomeric phenylenediacetates as modular tectons for a series of ZnII/CdII coordination polymers incorporating flexible bis(imidazole) co-ligands","CrystEngComm","2012","14","14","4745","","10.1039/c2ce25076d","","","0.71073","MoKα","","0.0239","0.0216","","","0.0482","0.0498","","","","","","1.049","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215012","11.413","0.009","17.212","0.013","11.724","0.009","90","","116.24","0.007","90","","2066","3","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 Cd N4 O5 -","- C19 H22 Cd N4 O5 -","- C76 H88 Cd4 N16 O20 -","4","1","","Wu, Ya-Pan; Li, Dong-Sheng; Zhao, Jun; Fang, Zi-Fan; Dong, Wen-Wen; Yang, Guo-Ping; Wang, Yao-Yu","Isomeric phenylenediacetates as modular tectons for a series of ZnII/CdII coordination polymers incorporating flexible bis(imidazole) co-ligands","CrystEngComm","2012","14","14","4745","","10.1039/c2ce25076d","","","0.71073","MoKα","","0.0254","0.0222","","","0.0706","0.073","","","","","","1.082","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215013","7.7981","0.0006","16.0351","0.0014","16.4278","0.0013","90","","103.243","0.001","90","","1999.6","0.3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C20 H22 N4 O4 Zn -","- C20 H22 N4 O4 Zn -","- C80 H88 N16 O16 Zn4 -","4","1","","Wu, Ya-Pan; Li, Dong-Sheng; Zhao, Jun; Fang, Zi-Fan; Dong, Wen-Wen; Yang, Guo-Ping; Wang, Yao-Yu","Isomeric phenylenediacetates as modular tectons for a series of ZnII/CdII coordination polymers incorporating flexible bis(imidazole) co-ligands","CrystEngComm","2012","14","14","4745","","10.1039/c2ce25076d","","","0.71073","MoKα","","0.0459","0.0393","","","0.1001","0.1061","","","","","","1.029","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215014","20.517","0.0017","10.5876","0.0009","21.9335","0.0018","90","","105.419","0.001","90","","4593","0.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H28 Cd N4 O5 -","- C22 H26 Cd N4 O5.5 -","- C176 H208 Cd8 N32 O44 -","8","1","","Wu, Ya-Pan; Li, Dong-Sheng; Zhao, Jun; Fang, Zi-Fan; Dong, Wen-Wen; Yang, Guo-Ping; Wang, Yao-Yu","Isomeric phenylenediacetates as modular tectons for a series of ZnII/CdII coordination polymers incorporating flexible bis(imidazole) co-ligands","CrystEngComm","2012","14","14","4745","","10.1039/c2ce25076d","","","0.71073","MoKα","","0.0511","0.0399","","","0.1075","0.1179","","","","","","1.021","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215015","5.928","0.0006","18.465","0.002","14.208","0.001","90","","99.259","0.005","90","","1535","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","GBPL4ABA","","","- C16 H22 N2 O3 -","- C16 H22 N2 O3 -","- C64 H88 N8 O12 -","4","1","","Maheshwari, Chinmay; André, Vânia; Reddy, Sreenivas; Roy, Lilly; Duarte, Teresa; Rodríguez-Hornedo, Naír","Tailoring aqueous solubility of a highly soluble compound via cocrystallization: effect of coformer ionization, pHmax and solute‒solvent interactions","CrystEngComm","2012","14","14","4801","","10.1039/c2ce06615g","","","0.71069","MoKα","","0.0672","0.0446","","","0.1287","0.1539","","","","","","1.131","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215016","5.9663","0.0006","27.045","0.003","9.4703","0.001","90","","107.008","0.002","90","","1461.3","0.3","85","2","85","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","GBPLGA","","","- C16 H21 N O5 -","- C16 H21 N O5 -","- C64 H84 N4 O20 -","4","1","","Maheshwari, Chinmay; André, Vânia; Reddy, Sreenivas; Roy, Lilly; Duarte, Teresa; Rodríguez-Hornedo, Naír","Tailoring aqueous solubility of a highly soluble compound via cocrystallization: effect of coformer ionization, pHmax and solute‒solvent interactions","CrystEngComm","2012","14","14","4801","","10.1039/c2ce06615g","","","0.71073","MoKα","","0.0546","0.0445","","","0.1019","0.1067","","","","","","1.099","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215017","6.39","0.0004","10.078","0.0007","12.226","0.0008","81.714","0.003","82.039","0.003","76.597","0.003","753.37","0.09","150","2","150","2","","","","","","","","4","P -1","-P 1","2","GBPL4HBA","","","- C16 H21 N O4 -","- C16 H21 N O4 -","- C32 H42 N2 O8 -","2","1","","Maheshwari, Chinmay; André, Vânia; Reddy, Sreenivas; Roy, Lilly; Duarte, Teresa; Rodríguez-Hornedo, Naír","Tailoring aqueous solubility of a highly soluble compound via cocrystallization: effect of coformer ionization, pHmax and solute‒solvent interactions","CrystEngComm","2012","14","14","4801","","10.1039/c2ce06615g","","","0.71069","MoKα","","0.0726","0.0482","","","0.1193","0.13","","","","","","1.055","","","","has coordinates,has disorder","180481","2020-10-21","18:00:00",""
"7215018","10.704","0.0003","6.011","0.0004","17.802","0.006","90","","101.372","0.003","90","","1122.9","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","GBPLFA","","","- C11 H18 N O3 -","- C11 H18 N O3 -","- C44 H72 N4 O12 -","4","1","","Maheshwari, Chinmay; André, Vânia; Reddy, Sreenivas; Roy, Lilly; Duarte, Teresa; Rodríguez-Hornedo, Naír","Tailoring aqueous solubility of a highly soluble compound via cocrystallization: effect of coformer ionization, pHmax and solute‒solvent interactions","CrystEngComm","2012","14","14","4801","","10.1039/c2ce06615g","","","0.71069","MoKα","","0.1068","0.06","","","0.1771","0.2063","","","","","","1.11","","","","has coordinates,has disorder","180481","2020-10-21","18:00:00",""
"7215019","28.368","0.006","11.144","0.002","16.695","0.003","90","","116.37","0.03","90","","4729","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H40 N14 Ni2 O15 -","- C42 H32 N14 Ni2 O15 -","- C168 H128 N56 Ni8 O60 -","4","0.5","","Huang, Fu-Ping; Li, Hai-Ye; Yu, Qing; Bian, He-Dong; Tian, Jin-Lei; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Co(ii)/Ni(ii) coordination polymers incorporated with a bent connector: crystal structures and magnetic properties","CrystEngComm","2012","14","14","4756","","10.1039/c2ce25586c","","","0.71073","MoKα","","0.1399","0.0808","","","0.1471","0.1712","","","","","","1.036","","","","has coordinates,has disorder","180481","2020-10-21","18:00:00",""
"7215020","23.501","0.005","10.181","0.002","10.334","0.002","90","","90","","90","","2472.6","0.9","293","2","293","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C18 H23 Co2 N5 O13 -","- C18 H23 Co2 N5 O13 -","- C72 H92 Co8 N20 O52 -","4","","","Huang, Fu-Ping; Li, Hai-Ye; Yu, Qing; Bian, He-Dong; Tian, Jin-Lei; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Co(ii)/Ni(ii) coordination polymers incorporated with a bent connector: crystal structures and magnetic properties","CrystEngComm","2012","14","14","4756","","10.1039/c2ce25586c","","","0.71073","MoKα","","0.0468","0.0435","","","0.0747","0.0758","","","","","","1.059","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215021","17.68","0.004","12.222","0.002","20.171","0.004","90","","95.86","0.03","90","","4335.9","1.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H38 Co2 N10 O14 -","- C43 H38 Co2 N10 O14 -","- C172 H152 Co8 N40 O56 -","4","1","","Huang, Fu-Ping; Li, Hai-Ye; Yu, Qing; Bian, He-Dong; Tian, Jin-Lei; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Co(ii)/Ni(ii) coordination polymers incorporated with a bent connector: crystal structures and magnetic properties","CrystEngComm","2012","14","14","4756","","10.1039/c2ce25586c","","","0.71073","MoKα","","0.095","0.0686","","","0.1492","0.1627","","","","","","0.976","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215022","8.752","0.0018","10.915","0.002","11.035","0.002","76.85","0.03","77.91","0.03","67.61","0.03","940.3","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H18 N5 Ni O8 -","- C17 H18 N5 Ni O8 -","- C34 H36 N10 Ni2 O16 -","2","1","","Huang, Fu-Ping; Li, Hai-Ye; Yu, Qing; Bian, He-Dong; Tian, Jin-Lei; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Co(ii)/Ni(ii) coordination polymers incorporated with a bent connector: crystal structures and magnetic properties","CrystEngComm","2012","14","14","4756","","10.1039/c2ce25586c","","","0.71073","MoKα","","0.0636","0.0475","","","0.1176","0.1247","","","","","","1.081","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215023","8.28","0.0017","28.059","0.006","16.424","0.003","90","","94.02","0.03","90","","3806.4","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 Co2 N10 O12 -","- C32 H24 Co2 N10 O11.99 -","- C128 H96 Co8 N40 O47.96 -","4","1","","Huang, Fu-Ping; Li, Hai-Ye; Yu, Qing; Bian, He-Dong; Tian, Jin-Lei; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Co(ii)/Ni(ii) coordination polymers incorporated with a bent connector: crystal structures and magnetic properties","CrystEngComm","2012","14","14","4756","","10.1039/c2ce25586c","","","0.71073","MoKα","","0.0851","0.0658","","","0.139","0.149","","","","","","0.963","","","","has coordinates,has disorder","180481","2020-10-21","18:00:00",""
"7215024","5.5135","0.0002","8.1356","0.0003","47.2858","0.0014","90","","90","","90","","2121.03","0.13","174","2","174","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H26 O2 S2 -","- C25 H26 O2 S2 -","- C100 H104 O8 S8 -","4","1","","Park, In-Hyeok; Kim, Hyun Jee; Lee, Shim Sung","Anion-dependent coordinative networking of macrocycle with copper(i) halides","CrystEngComm","2012","14","14","4589","","10.1039/c2ce25111f","","","0.71073","MoKα","","0.049","0.0477","","","0.1149","0.1157","","","","","","1.155","","","","has coordinates,has disorder","180481","2020-10-21","18:00:00",""
"7215025","11.6776","0.0006","18.6014","0.001","13.2518","0.0007","90","","108.458","0.003","90","","2730.5","0.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 Cl2 Cu N O2 S2 -","- C27 H26 Cl2 Cu N O2 S2 -","- C108 H104 Cl8 Cu4 N4 O8 S8 -","4","1","","Park, In-Hyeok; Kim, Hyun Jee; Lee, Shim Sung","Anion-dependent coordinative networking of macrocycle with copper(i) halides","CrystEngComm","2012","14","14","4589","","10.1039/c2ce25111f","","","0.71073","MoKα","","0.0466","0.0395","","","0.1137","0.1175","","","","","","1.055","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215026","11.2153","0.0003","11.6948","0.0003","12.9855","0.0004","85.089","0.001","65.157","0.001","79.395","0.001","1519.11","0.07","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H60 Br2 Cl8 Cu2 O4 S4 -","- C54 H60 Br2 Cl8 Cu2 O4 S4 -","- C54 H60 Br2 Cl8 Cu2 O4 S4 -","1","0.5","","Park, In-Hyeok; Kim, Hyun Jee; Lee, Shim Sung","Anion-dependent coordinative networking of macrocycle with copper(i) halides","CrystEngComm","2012","14","14","4589","","10.1039/c2ce25111f","","","0.71073","MoKα","","0.0348","0.0321","","","0.0864","0.0885","","","","","","1.062","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215027","36.215","0.004","13.9659","0.0014","28.036","0.005","90","","125.048","0.004","90","","11609","3","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C51 H54 Cl2 Cu4 I4 O4 S4 -","- C51 H54 Cl2 Cu4 I4 O4 S4 -","- C408 H432 Cl16 Cu32 I32 O32 S32 -","8","1","","Park, In-Hyeok; Kim, Hyun Jee; Lee, Shim Sung","Anion-dependent coordinative networking of macrocycle with copper(i) halides","CrystEngComm","2012","14","14","4589","","10.1039/c2ce25111f","","","0.71073","MoKα","","0.0414","0.0363","","","0.0956","0.0993","","","","","","1.073","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215028","17.0726","0.0015","21.8272","0.0018","16.3027","0.0014","90","","110.571","0.004","90","","5687.8","0.9","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C51 H54 Cl2 Cu4 I4 O4 S4 -","- C51 H54 Cl2 Cu4 I4 O4 S4 -","- C204 H216 Cl8 Cu16 I16 O16 S16 -","4","1","","Park, In-Hyeok; Kim, Hyun Jee; Lee, Shim Sung","Anion-dependent coordinative networking of macrocycle with copper(i) halides","CrystEngComm","2012","14","14","4589","","10.1039/c2ce25111f","","","0.71073","MoKα","","0.0675","0.0496","","","0.1272","0.1403","","","","","","1.025","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215029","17.84","0.004","11.467","0.002","6.3458","0.0013","90","","101.743","0.003","90","","1271","0.4","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C10 H30 Co3 N2 O20 P2 -","- C10 H30 Co3 N2 O20 P2 -","- C20 H60 Co6 N4 O40 P4 -","2","0.25","","Liu, Mei-Juan; Cao, Deng-Ke; Liu, Bin; Li, Yi-Zhi; Huang, Jian; Zheng, Li-Min","Cobalt and copper phosphinates based on N-(phosphinomethyl)iminodiacetic acid: supramolecular layered structures and magnetic properties","CrystEngComm","2012","14","14","4699","","10.1039/c2ce00026a","","","0.71073","MoKα","","0.0563","0.0515","","","0.1404","0.1437","","","","","","1.063","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215030","6.705","0.0017","11.2932","0.0011","16.3878","0.0019","90","","90","","90","","1240.9","0.4","291","2","291","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H22 Cu3 N2 O16 P2 -","- C10 H22 Cu3 N2 O16 P2 -","- C20 H44 Cu6 N4 O32 P4 -","2","0.25","","Liu, Mei-Juan; Cao, Deng-Ke; Liu, Bin; Li, Yi-Zhi; Huang, Jian; Zheng, Li-Min","Cobalt and copper phosphinates based on N-(phosphinomethyl)iminodiacetic acid: supramolecular layered structures and magnetic properties","CrystEngComm","2012","14","14","4699","","10.1039/c2ce00026a","","","0.71073","MoKα","","0.0451","0.0356","","","0.083","0.0858","","","","","","1.071","","","","has coordinates,has disorder","180481","2020-10-21","18:00:00",""
"7215031","6.4427","0.0013","9.5515","0.0019","10.224","0.002","107.45","0.03","91.15","0.03","101.7","0.03","585.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 Fe3 N4 O18 -","- C20 H18 Fe3 N4 O18 -","- C20 H18 Fe3 N4 O18 -","1","0.5","","Yu, Xiao-Yang; Cui, Xiao-Bing; Yang, Jia-Jun; Zhang, Jian-Po; Luo, Yu-Hui; Zhang, Hong; Gao, Wei-Ping","A series of coordination polymers constructed from in situ amidation ligands: syntheses, structures and luminescent properties","CrystEngComm","2012","14","14","4719","","10.1039/c2ce06730g","","","0.71073","MoKα","","0.103","0.0792","","","0.2211","0.2358","","","","","","1.033","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215032","6.6226","0.0013","9.657","0.0019","9.752","0.002","95.92","0.03","108.9","0.03","94.26","0.03","583.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 Cu2 N4 O16 -","- C20 H18 Cu2 N4 O16 -","- C20 H18 Cu2 N4 O16 -","1","0.5","","Yu, Xiao-Yang; Cui, Xiao-Bing; Yang, Jia-Jun; Zhang, Jian-Po; Luo, Yu-Hui; Zhang, Hong; Gao, Wei-Ping","A series of coordination polymers constructed from in situ amidation ligands: syntheses, structures and luminescent properties","CrystEngComm","2012","14","14","4719","","10.1039/c2ce06730g","","","0.71073","MoKα","","0.0689","0.0456","","","0.1121","0.1242","","","","","","1.005","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215033","18.683","0.011","7.826","0.005","37.85","0.02","90","","90","","90","","5534","6","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C56 H44 Cd2 N12 O20 -","- C56 H44 Cd2 N12 O20 -","- C224 H176 Cd8 N48 O80 -","4","1","","Yu, Xiao-Yang; Cui, Xiao-Bing; Yang, Jia-Jun; Zhang, Jian-Po; Luo, Yu-Hui; Zhang, Hong; Gao, Wei-Ping","A series of coordination polymers constructed from in situ amidation ligands: syntheses, structures and luminescent properties","CrystEngComm","2012","14","14","4719","","10.1039/c2ce06730g","","","0.71073","MoKα","","0.1097","0.0779","","","0.1874","0.2439","","","","","","1.048","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215034","9.4252","0.0016","20.219","0.003","7.0187","0.0012","90","","108.742","0.002","90","","1266.6","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 N5 O7 Zn -","- C10 H12 N5 O7 Zn -","- C40 H48 N20 O28 Zn4 -","4","1","","Yu, Xiao-Yang; Cui, Xiao-Bing; Yang, Jia-Jun; Zhang, Jian-Po; Luo, Yu-Hui; Zhang, Hong; Gao, Wei-Ping","A series of coordination polymers constructed from in situ amidation ligands: syntheses, structures and luminescent properties","CrystEngComm","2012","14","14","4719","","10.1039/c2ce06730g","","","0.71073","MoKα","","0.0715","0.0422","","","0.0889","0.1016","","","","","","0.963","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215035","12.2626","0.0007","13.7872","0.0008","14.7405","0.0009","101.396","0.001","108.921","0.001","98.847","0.001","2246.3","0.2","294","2","294","2","","","","","","","","5","P -1","-P 1","2","7-(4-(4-(2,3-dichlorophenyl)-1-piperazinyl)butoxy)-3,4- dihydrocarbostyril)","7-[4-[4-(2,3-dichlorophenyl)-1-piperazinyl]butoxy]- 3,4-dihydrocarbostyril]","","- C23 H27 Cl2 N3 O2 -","- C23 H27 Cl2 N3 O2 -","- C92 H108 Cl8 N12 O8 -","4","2","","Nanubolu, Jagadeesh Babu; Sridhar, Balasubramanian; Babu, V. S. Phani; Jagadeesh, Bharatham; Ravikumar, Krishnan","Sixth polymorph of aripiprazole - an antipsychotic drug","CrystEngComm","2012","14","14","4677","","10.1039/c2ce25306b","","x-ray","0.71073","MoKα","","0.0576","0.0463","","","0.1188","0.1277","","","","","","1.026","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215036","15.213","0.003","16.59","0.002","23.677","0.003","90","","97.497","0.016","90","","5924.6","1.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(Co3(obc)3(bpy)2)(H2O)","","","- C62 H42 Co3 N4 O16 -","- C62 H40 Co3 N4 O16 -","- C248 H160 Co12 N16 O64 -","4","0.5","","Kim, YooJin; Jung, Duk-Young","Structure evolution and coordination modes of metal-carboxylate frameworks with robust linear trinuclear complexes as building units","CrystEngComm","2012","14","14","4567","","10.1039/c2ce25099c","","","0.71073","MoKα","","0.1002","0.0697","","","0.181","0.2036","","","","","","1.024","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215037","15.138","0.002","16.501","0.002","25.844","0.004","90","","91.021","0.002","90","","6454.6","1.5","253","2","253","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Co3(obc)3(phen)2","","","- C66 H40 Co3 N4 O15 -","- C66 H40 Co3 N4 O15 -","- C264 H160 Co12 N16 O60 -","4","0.5","","Kim, YooJin; Jung, Duk-Young","Structure evolution and coordination modes of metal-carboxylate frameworks with robust linear trinuclear complexes as building units","CrystEngComm","2012","14","14","4567","","10.1039/c2ce25099c","","","0.71073","MoKα","","0.127","0.0599","","","0.1354","0.1692","","","","","","0.987","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215038","14.271","0.004","17.077","0.004","25.897","0.006","90","","92.986","0.011","90","","6303","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Mn3(obc)3(bpy)2","","","- C62 H40 Mn3 N4 O15 -","- C62 H40 Mn3 N4 O15 -","- C248 H160 Mn12 N16 O60 -","4","0.5","","Kim, YooJin; Jung, Duk-Young","Structure evolution and coordination modes of metal-carboxylate frameworks with robust linear trinuclear complexes as building units","CrystEngComm","2012","14","14","4567","","10.1039/c2ce25099c","","","0.71073","MoKα","","0.0665","0.0467","","","0.114","0.1343","","","","","","1.119","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215039","15.2012","0.0011","16.7136","0.0012","25.8544","0.0019","90","","90.26","0.001","90","","6568.7","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(Mn3(obc)3(phen)2)(2H2O)","","","- C66 H44 Mn3 N4 O17 -","- C66 H40 Mn3 N4 O17 -","- C264 H160 Mn12 N16 O68 -","4","0.5","","Kim, YooJin; Jung, Duk-Young","Structure evolution and coordination modes of metal-carboxylate frameworks with robust linear trinuclear complexes as building units","CrystEngComm","2012","14","14","4567","","10.1039/c2ce25099c","","","0.71073","MoKα","","0.0697","0.0451","","","0.1111","0.124","","","","","","1.033","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215040","15.163","0.005","16.373","0.004","23.383","0.005","90","","97.486","0.018","90","","5756","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(Ni3(obc)3(bpy)2)(H2O)","","","- C62 H42 N4 Ni3 O16 -","- C62 H40 N4 Ni3 O16 -","- C248 H160 N16 Ni12 O64 -","4","0.5","","Kim, YooJin; Jung, Duk-Young","Structure evolution and coordination modes of metal-carboxylate frameworks with robust linear trinuclear complexes as building units","CrystEngComm","2012","14","14","4567","","10.1039/c2ce25099c","","","0.71073","MoKα","","0.1181","0.074","","","0.1867","0.2221","","","","","","1.033","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215041","10.366","0.009","11.154","0.009","12.483","0.01","96.342","0.01","105.741","0.006","104.4","0.004","1320.8","1.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 Cu4 I5 N5 -","- C16 H18 Cu4 I5 N5 -","- C32 H36 Cu8 I10 N10 -","2","1","","Fang, Zhenlan; Yang, Wenbin; He, Jiangang; Ding, Kaining; Wu, Xiaoyuan; Zhang, Qisheng; Yu, Rongmin; Lu, Canzhong","Solvothermal synthesis of two new coordination polymers: in situ heterocycle conversion and N-alkylation, network topologies and luminescence properties","CrystEngComm","2012","14","14","4794","","10.1039/c2ce06747a","","","0.71073","MoKα","","0.0698","0.0519","","","0.1311","0.1462","","","","","","0.99","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215042","31.754","0.012","10.712","0.004","21.206","0.008","90","","90","","90","","7213","5","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C36 H24 Br3 Cu6 N15 -","- C36 H24 Br3 Cu6 N15 -","- C288 H192 Br24 Cu48 N120 -","8","0.5","","Fang, Zhenlan; Yang, Wenbin; He, Jiangang; Ding, Kaining; Wu, Xiaoyuan; Zhang, Qisheng; Yu, Rongmin; Lu, Canzhong","Solvothermal synthesis of two new coordination polymers: in situ heterocycle conversion and N-alkylation, network topologies and luminescence properties","CrystEngComm","2012","14","14","4794","","10.1039/c2ce06747a","","","0.71073","MoKα","","0.0708","0.0633","","","0.1752","0.1831","","","","","","1.022","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215043","29.964","0.002","16.0632","0.0013","8.618","0.0007","90","","101.391","0.002","90","","4066.3","0.5","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H60 Co2 N12 O21 -","- C27 H58 Co2 N12 O21 -","- C108 H232 Co8 N48 O84 -","4","0.5","","Wang, Chih-Chieh; Yeh, Chang-Tsung; Cheng, Yi-Ting; Chen, I-Hsuan; Lee, Gene-Hsiang; Shih, Wei-Ju; Sheu, Hwo-Shuenn; Fedorov, Vladimir E.","A hydrogen-bonded and π‒π assembled 3D supramolecular network, [Co(en)3]·1.5(C5O5), with 1D microporous hydrophilic channels showing reversible water ad/de-sorption property","CrystEngComm","2012","14","14","4637","","10.1039/c2ce25327e","","","0.71073","MoKα","","0.1024","0.0655","","","0.1641","0.1936","","","","","","1.081","","","","has coordinates,has disorder","180481","2020-10-21","18:00:00",""
"7215044","15.529","0.002","7.9238","0.0011","28.524","0.003","90","","119.779","0.005","90","","3046.4","0.7","296","2","296","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C24 H83 Mn4 N16 O5 S12 Sb3 -","- C24 H83 Mn4 N16 O5 S12 Sb3 -","- C48 H166 Mn8 N32 O10 S24 Sb6 -","2","0.5","","Yue, Cheng-Yang; Lei, Xiao-Wu; Zang, Hui-Ping; Zhai, Xiu-Rong; Feng, Li-Juan; Zhao, Zhi-Fei; Zhao, Jian-Qiang; Liu, Xin-Yue","Two manganese‒amine complexes incorporating thioantimonates and exhibiting diversiform roles of amine ligands","CrystEngComm","2014","16","16","3424","","10.1039/c3ce42240b","","","0.71073","MoKα","","0.0492","0.0304","","","0.0752","0.1026","","","","","","1.079","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215045","12.79","0.003","12.867","0.003","13.616","0.003","112.894","0.002","91.768","0.003","92.612","0.003","2059.2","0.8","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C8 H32 Mn N6 O S15 Sb8 -","- C8 H32 Mn N6 O S15 Sb8 -","- C16 H64 Mn2 N12 O2 S30 Sb16 -","2","1","","Yue, Cheng-Yang; Lei, Xiao-Wu; Zang, Hui-Ping; Zhai, Xiu-Rong; Feng, Li-Juan; Zhao, Zhi-Fei; Zhao, Jian-Qiang; Liu, Xin-Yue","Two manganese‒amine complexes incorporating thioantimonates and exhibiting diversiform roles of amine ligands","CrystEngComm","2014","16","16","3424","","10.1039/c3ce42240b","","","0.71073","MoKα","","0.0544","0.0445","","","0.0972","0.1009","","","","","","1.006","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215046","8.0133","0.0007","11.2963","0.0004","19.9503","0.0013","90","","90","","90","","1805.9","0.2","200","2","200","2","","","","","","","synthesis as described","5","P c c n","-P 2ab 2ac","56","","","","- C14 H22 N4 O8 Zn -","- C14 H22 N4 O8 Zn -","- C56 H88 N16 O32 Zn4 -","4","0.5","","Fernández-Palacio, Francisco; Restrepo, Jimmy; Gálvez, Santos; Gómez-Sal, Pilar; Mosquera, Marta E. G.","Functionalized aminocarboxylate moieties as linkers for coordination polymers: influence of the substituents in the dimensionality of the final structure","CrystEngComm","2014","16","16","3376","","10.1039/c3ce42615g","","x-ray","0.71073","MoKα","","0.0995","0.0537","","","0.1133","0.141","","","","","","1.134","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215047","8.764","0.002","15.381","0.004","11.395","0.002","90","","106.617","0.01","90","","1471.9","0.6","200","2","200","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 N4 O6 Zn -","- C12 H14 N4 O6 Zn -","- C48 H56 N16 O24 Zn4 -","4","1","","Fernández-Palacio, Francisco; Restrepo, Jimmy; Gálvez, Santos; Gómez-Sal, Pilar; Mosquera, Marta E. G.","Functionalized aminocarboxylate moieties as linkers for coordination polymers: influence of the substituents in the dimensionality of the final structure","CrystEngComm","2014","16","16","3376","","10.1039/c3ce42615g","","x-ray","0.71073","MoKα","","0.0731","0.0335","","","0.0678","0.077","","","","","","1.008","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215048","7.933","0.002","13.2295","0.0017","22.388","0.005","90","","90","","90","","2349.6","0.8","200","2","200","2","","","","","","","synthesis as described","5","P b c n","-P 2n 2ab","60","","","","- C24 H22 N4 O6 Zn -","- C24 H22 N4 O6 Zn -","- C96 H88 N16 O24 Zn4 -","4","0.5","","Fernández-Palacio, Francisco; Restrepo, Jimmy; Gálvez, Santos; Gómez-Sal, Pilar; Mosquera, Marta E. G.","Functionalized aminocarboxylate moieties as linkers for coordination polymers: influence of the substituents in the dimensionality of the final structure","CrystEngComm","2014","16","16","3376","","10.1039/c3ce42615g","","x-ray","0.71073","MoKα","","0.1176","0.0514","","","0.108","0.1417","","","","","","1.079","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215049","9.91","0.0009","16.496","0.003","18.716","0.003","90","","104.91","0.008","90","","2956.6","0.8","200","2","200","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C68 H56 N12 O12 Zn2 -","- C68 H56 N12 O12 Zn2 -","- C136 H112 N24 O24 Zn4 -","2","0.5","","Fernández-Palacio, Francisco; Restrepo, Jimmy; Gálvez, Santos; Gómez-Sal, Pilar; Mosquera, Marta E. G.","Functionalized aminocarboxylate moieties as linkers for coordination polymers: influence of the substituents in the dimensionality of the final structure","CrystEngComm","2014","16","16","3376","","10.1039/c3ce42615g","","x-ray","0.71073","MoKα","","0.1197","0.0574","","","0.1075","0.1351","","","","","","1.093","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215050","9.404","0.002","11.923","0.0017","14.556","0.003","77.24","0.01","84.17","0.01","72.49","0.01","1516.9","0.5","200","2","200","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C68 H58 N12 O9 Zn2 -","- C68 H58 N12 O9 Zn2 -","- C68 H58 N12 O9 Zn2 -","1","0.5","","Fernández-Palacio, Francisco; Restrepo, Jimmy; Gálvez, Santos; Gómez-Sal, Pilar; Mosquera, Marta E. G.","Functionalized aminocarboxylate moieties as linkers for coordination polymers: influence of the substituents in the dimensionality of the final structure","CrystEngComm","2014","16","16","3376","","10.1039/c3ce42615g","","x-ray","0.71073","MoKα","","0.0812","0.0361","","","0.0721","0.0874","","","","","","0.85","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215051","10.6806","0.0015","9.1982","0.0013","7.5204","0.0011","90","","107.139","0.002","90","","706.01","0.17","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H18 Ca Cl2 N2 O4 -","- C10 H18 Ca Cl2 N2 O4 -","- C20 H36 Ca2 Cl4 N4 O8 -","2","0.5","","Lamberts, Kevin; Porsche, Sven; Hentschel, Bernd; Kuhlen, Torsten; Englert, Ulli","An unusual linker and an unexpected node: CaCl2 dumbbells linked by proline to form square lattice networks","CrystEngComm","2014","16","16","3305","","10.1039/c3ce42357c","","","0.71073","MoKα","","0.032","0.0283","","","0.0686","0.0711","","","","","","1.027","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7215052","5.872","0.0019","17.422","0.006","7.957","0.003","90","","104.233","0.005","90","","789","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H22 Ca Cl2 N2 O6 -","- C10 H22 Ca Cl2 N2 O6 -","- C20 H44 Ca2 Cl4 N4 O12 -","2","0.5","","Lamberts, Kevin; Porsche, Sven; Hentschel, Bernd; Kuhlen, Torsten; Englert, Ulli","An unusual linker and an unexpected node: CaCl2 dumbbells linked by proline to form square lattice networks","CrystEngComm","2014","16","16","3305","","10.1039/c3ce42357c","","","0.71073","MoKα","","0.069","0.0613","","","0.1596","0.1633","","","","","","1.09","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7215053","7.6518","0.0012","9.7084","0.0015","19.982","0.003","90","","90","","90","","1484.4","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H18 Ca Cl2 N2 O4 -","- C10 H18 Ca Cl2 N2 O4 -","- C40 H72 Ca4 Cl8 N8 O16 -","4","1","","Lamberts, Kevin; Porsche, Sven; Hentschel, Bernd; Kuhlen, Torsten; Englert, Ulli","An unusual linker and an unexpected node: CaCl2 dumbbells linked by proline to form square lattice networks","CrystEngComm","2014","16","16","3305","","10.1039/c3ce42357c","","","0.71073","MoKα","","0.0434","0.0358","","","0.0747","0.0783","","","","","","1.04","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7215054","6.9732","0.0006","11.7268","0.0011","12.1168","0.0011","90","","90","","90","","990.83","0.15","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C5 H11 Ca Cl2 N O3 -","- C5 H11 Ca Cl2 N O3 -","- C20 H44 Ca4 Cl8 N4 O12 -","4","1","","Lamberts, Kevin; Porsche, Sven; Hentschel, Bernd; Kuhlen, Torsten; Englert, Ulli","An unusual linker and an unexpected node: CaCl2 dumbbells linked by proline to form square lattice networks","CrystEngComm","2014","16","16","3305","","10.1039/c3ce42357c","","","0.71073","MoKα","","0.0238","0.0227","","","0.0542","0.0557","","","","","","1.044","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7215055","7.7297","0.0005","14.3257","0.0007","21.704","0.0003","90","","90","","90","","2403.4","0.2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C7 H14 Be N2 O8 P2 -","- C7 H14 Be N2 O8 P2 -","- C56 H112 Be8 N16 O64 P16 -","8","1","","Wang, Guoming; Ding, Zhigao; Li, Jinhua; Lv, Xiang; Zhang, Xiao; Zhao, Xiaomeng; Wang, Zonghua; Wang, Yingxia; Lin, Jianhua","Series of crystalline beryllium phosphates including new templates generated by in situ N-methylation transformation","CrystEngComm","2014","16","16","3296","","10.1039/c3ce42487a","","","0.71073","MoKα","","0.051","0.0429","","","0.093","0.0964","","","","","","1.141","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215056","8.7135","0.0007","13.8526","0.0004","17.1154","0.0004","90","","98.947","0.005","90","","2040.77","0.18","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H25 Be3 N2 O17.5 P4 -","- C8 H10 Be3 N2 O17.5 P4 -","- C32 H40 Be12 N8 O70 P16 -","4","1","","Wang, Guoming; Ding, Zhigao; Li, Jinhua; Lv, Xiang; Zhang, Xiao; Zhao, Xiaomeng; Wang, Zonghua; Wang, Yingxia; Lin, Jianhua","Series of crystalline beryllium phosphates including new templates generated by in situ N-methylation transformation","CrystEngComm","2014","16","16","3296","","10.1039/c3ce42487a","","","0.71073","MoKα","","0.0596","0.051","","","0.1471","0.1531","","","","","","1.086","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215057","8.7901","0.0005","8.8969","0.0003","15.095","0.0002","88.59","0.003","75.26","0.004","62.81","0.007","1009.71","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H26 Be2 N2 O16 P4 -","- C8 H25.5 Be2 N2 O16 P4 -","- C16 H51 Be4 N4 O32 P8 -","2","1","","Wang, Guoming; Ding, Zhigao; Li, Jinhua; Lv, Xiang; Zhang, Xiao; Zhao, Xiaomeng; Wang, Zonghua; Wang, Yingxia; Lin, Jianhua","Series of crystalline beryllium phosphates including new templates generated by in situ N-methylation transformation","CrystEngComm","2014","16","16","3296","","10.1039/c3ce42487a","","","0.71073","MoKα","","0.0681","0.0481","","","0.0982","0.1067","","","","","","1.064","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215058","9.3591","0.0006","9.3128","0.0005","15.1655","0.0003","90","","92.505","0.005","90","","1320.55","0.11","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H28 Be4 N2 O24 P6 -","- C8 H28 Be4 N2 O24 P6 -","- C16 H56 Be8 N4 O48 P12 -","2","0.5","","Wang, Guoming; Ding, Zhigao; Li, Jinhua; Lv, Xiang; Zhang, Xiao; Zhao, Xiaomeng; Wang, Zonghua; Wang, Yingxia; Lin, Jianhua","Series of crystalline beryllium phosphates including new templates generated by in situ N-methylation transformation","CrystEngComm","2014","16","16","3296","","10.1039/c3ce42487a","","","0.71073","MoKα","","0.0524","0.0429","","","0.1077","0.1119","","","","","","1.129","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215059","20.872","0.008","20.872","0.008","5.882","0.002","90","","90","","90","","2562.4","1.6","298","2","298","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C18 H16 Cd2 N6 O7 -","- C18 H16 Cd2 N6 O7 -","- C72 H64 Cd8 N24 O28 -","4","0.5","","Li, Teng; Yang, Jian; Hong, Xu-Jia; Ou, Yan-Jun; Gu, Zhi-Gang; Cai, Yue-Peng","A robust porous pillar-chained Cd-framework with selective sorption for CO2 and guest-driven tunable luminescence","CrystEngComm","2014","16","19","3848","","10.1039/c4ce00045e","","","0.71073","MoKα","","0.0657","0.0429","","","0.1184","0.1351","","","","","","1.089","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215060","20.8164","0.0013","20.8164","0.0013","5.8701","0.0004","90","","90","","90","","2543.6","0.3","298","2","298","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C9 H7 Cd N3 O3 -","- C9 H7 Cd N3 O3 -","- C72 H56 Cd8 N24 O24 -","8","1","","Li, Teng; Yang, Jian; Hong, Xu-Jia; Ou, Yan-Jun; Gu, Zhi-Gang; Cai, Yue-Peng","A robust porous pillar-chained Cd-framework with selective sorption for CO2 and guest-driven tunable luminescence","CrystEngComm","2014","16","19","3848","","10.1039/c4ce00045e","","","0.71073","MoKα","","0.039","0.0313","","","0.0865","0.0904","","","","","","1.081","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215061","21.23","0.06","21.23","0.06","6.029","0.017","90","","90","","90","","2717","13","298","2","298","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C9 H7 Cd I N3 O3 -","- C9 H7 Cd I N3 O3 -","- C72 H56 Cd8 I8 N24 O24 -","8","1","","Li, Teng; Yang, Jian; Hong, Xu-Jia; Ou, Yan-Jun; Gu, Zhi-Gang; Cai, Yue-Peng","A robust porous pillar-chained Cd-framework with selective sorption for CO2 and guest-driven tunable luminescence","CrystEngComm","2014","16","19","3848","","10.1039/c4ce00045e","","","0.71073","MoKα","","0.083","0.0611","","","0.179","0.2029","","","","","","1.086","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215062","9.1013","0.0011","10.8625","0.0014","12.5697","0.0016","76.698","0.002","86.585","0.002","79.993","0.002","1190.7","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H21 Mg N3 O10 S2 -","- C21 H21 Mg N3 O10 S2 -","- C42 H42 Mg2 N6 O20 S4 -","2","1","","Zheng, Sheng-Run; Chen, Rui-Ling; Xie, Tao; Liu, Zi-Meng; Wen, Xi-Ling; Chen, Xue-Yun; Fan, Jun; Zhang, Wei-Guang","Construction of several new s-/p-block complexes containing binuclear metal‒terpyridine building blocks: dependence of structural diversity on the number of coordinated water molecules","CrystEngComm","2014","16","19","4029","","10.1039/c3ce41790e","","","0.71073","MoKα","","0.0602","0.0472","","","0.1405","0.1535","","","","","","1.053","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215063","18.538","0.017","16.748","0.016","16.019","0.015","90","","103.804","0.012","90","","4830","8","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H20 Ca N3 O9.5 S2 -","- C21 H18 Ca N3 O9.5 S2 -","- C168 H144 Ca8 N24 O76 S16 -","8","1","","Zheng, Sheng-Run; Chen, Rui-Ling; Xie, Tao; Liu, Zi-Meng; Wen, Xi-Ling; Chen, Xue-Yun; Fan, Jun; Zhang, Wei-Guang","Construction of several new s-/p-block complexes containing binuclear metal‒terpyridine building blocks: dependence of structural diversity on the number of coordinated water molecules","CrystEngComm","2014","16","19","4029","","10.1039/c3ce41790e","","","0.71073","MoKα","","0.1266","0.0637","","","0.1653","0.2067","","","","","","1.025","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215064","8.9535","0.0011","11.451","0.0014","12.3912","0.0015","69.024","0.002","81.056","0.002","79.498","0.002","1160.7","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H19 N3 O9 Pb S2 -","- C21 H19 N3 O9 Pb S2 -","- C42 H38 N6 O18 Pb2 S4 -","2","1","","Zheng, Sheng-Run; Chen, Rui-Ling; Xie, Tao; Liu, Zi-Meng; Wen, Xi-Ling; Chen, Xue-Yun; Fan, Jun; Zhang, Wei-Guang","Construction of several new s-/p-block complexes containing binuclear metal‒terpyridine building blocks: dependence of structural diversity on the number of coordinated water molecules","CrystEngComm","2014","16","19","4029","","10.1039/c3ce41790e","","","0.71073","MoKα","","0.0628","0.0445","","","0.0903","0.0991","","","","","","1.002","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215065","15.792","0.006","19.232","0.007","14.198","0.005","90","","91.16","0.005","90","","4311","3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H14 N3 O6.5 Pb S2 -","- C21 H13 N3 O6.5 Pb S2 -","- C168 H104 N24 O52 Pb8 S16 -","8","1","","Zheng, Sheng-Run; Chen, Rui-Ling; Xie, Tao; Liu, Zi-Meng; Wen, Xi-Ling; Chen, Xue-Yun; Fan, Jun; Zhang, Wei-Guang","Construction of several new s-/p-block complexes containing binuclear metal‒terpyridine building blocks: dependence of structural diversity on the number of coordinated water molecules","CrystEngComm","2014","16","19","4029","","10.1039/c3ce41790e","","","0.71073","MoKα","","0.0816","0.0685","","","0.215","0.2229","","","","","","1.087","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215066","13.85","0.0012","14.6293","0.0012","17.9504","0.0016","97.443","0.001","101.793","0.001","90.424","0.001","3528.1","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H57 N9 O27 Pb3 S6 -","- C63 H41 N9 O27 Pb3 S6 -","- C126 H82 N18 O54 Pb6 S12 -","2","1","","Zheng, Sheng-Run; Chen, Rui-Ling; Xie, Tao; Liu, Zi-Meng; Wen, Xi-Ling; Chen, Xue-Yun; Fan, Jun; Zhang, Wei-Guang","Construction of several new s-/p-block complexes containing binuclear metal‒terpyridine building blocks: dependence of structural diversity on the number of coordinated water molecules","CrystEngComm","2014","16","19","4029","","10.1039/c3ce41790e","","","0.71073","MoKα","","0.0754","0.0457","","","0.0985","0.1143","","","","","","0.987","","","","has coordinates,has disorder","180481","2020-10-21","18:00:00",""
"7215067","14.2823","0.0019","17.776","0.003","27.245","0.003","90","","90","","90","","6917","1.7","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C34 H30 N4 O16 Zn3 -","- C20 H4 O16 Zn3 -","- C160 H32 O128 Zn24 -","8","1","","Ji, Wen-Juan; Hu, Man-Cheng; Li, Shu-Ni; Jiang, Yu-Cheng; Zhai, Quan-Guo","Ionic liquids used for synthesis of supramolecular isomeric open-frameworks as photocatalysts for visible-light-driven degradation of organic dyes","CrystEngComm","2014","16","17","3474","","10.1039/c4ce00014e","","","0.71073","MoKα","","0.0528","0.0486","","","0.1424","0.1461","","","","","","1.067","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215068","19.743","0.0003","26.8524","0.0005","29.2175","0.0005","90","","90","","90","","15489.6","0.5","293","2","293","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C36 H34 N4 O16 Zn3 -","- C20 H4 O16 Zn3 -","- C320 H64 O256 Zn48 -","16","0.5","","Ji, Wen-Juan; Hu, Man-Cheng; Li, Shu-Ni; Jiang, Yu-Cheng; Zhai, Quan-Guo","Ionic liquids used for synthesis of supramolecular isomeric open-frameworks as photocatalysts for visible-light-driven degradation of organic dyes","CrystEngComm","2014","16","17","3474","","10.1039/c4ce00014e","","","0.71073","MoKα","","0.0315","0.0291","","","0.107","0.1083","","","","","","1.014","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215069","41.0363","0.0018","12.1733","0.0004","14.1609","0.0005","90","","100.869","0.003","90","","6947.1","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 Cu4 O23 Se -","- C18 H6 Cu4 O23 Se -","- C144 H48 Cu32 O184 Se8 -","8","1","","Papaefstathiou, Giannis S.; Subrahmanyam, Kota S.; Armatas, Gerasimos S.; Malliakas, Christos D.; Kanatzidis, Mercouri G.; Manos, Manolis J.","A unique microporous copper trimesate selenite with high selectivity for CO2","CrystEngComm","2014","16","17","3483","","10.1039/c4ce00091a","","","0.71073","MoKα","","0.0903","0.0639","","","0.1371","0.1453","","","","","","1.093","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215070","38.391","0.006","12.3697","0.0011","14.1757","0.0014","90","","90.165","0.01","90","","6731.8","1.4","473","2","473","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H6 Cu4 O15 Se -","- C18 H6 Cu4 O15 Se -","- C144 H48 Cu32 O120 Se8 -","8","1","","Papaefstathiou, Giannis S.; Subrahmanyam, Kota S.; Armatas, Gerasimos S.; Malliakas, Christos D.; Kanatzidis, Mercouri G.; Manos, Manolis J.","A unique microporous copper trimesate selenite with high selectivity for CO2","CrystEngComm","2014","16","17","3483","","10.1039/c4ce00091a","","","0.71073","MoKα","","0.249","0.1312","","","0.2912","0.3382","","","","","","1.071","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215071","14.3644","0.0017","8.318","0.001","8.8927","0.0011","90","","120.75","0.005","90","","913.1","0.2","185","2","185","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C5 H11 Mn N O6 -","- C5 H11 Mn N O6 -","- C20 H44 Mn4 N4 O24 -","4","1","","Sánchez-Andújar, M.; Gómez-Aguirre, L. C.; Pato Doldán, B.; Yáñez-Vilar, S.; Artiaga, R.; Llamas-Saiz, A. L.; Manna, R. S.; Schnelle, F.; Lang, M.; Ritter, F.; Haghighirad, A. A.; Señarís-Rodríguez, M. A.","First-order structural transition in the multiferroic perovskite-like formate [(CH3)2NH2][Mn(HCOO)3]","CrystEngComm","2014","16","17","3558","","10.1039/c3ce42411a","","","0.71073","MoKα","","0.1006","0.0634","","","0.1535","0.1739","","","","","","0.955","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215072","8.3544","0.0005","8.3544","0.0005","22.8701","0.0016","90","","90","","120","","1382.39","0.15","190","2","190","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C5 H11 Mn N O6 -","- C5 H3 Mn N0.99 O6 -","- C30 H18 Mn6 N5.94 O36 -","6","0.166667","","Sánchez-Andújar, M.; Gómez-Aguirre, L. C.; Pato Doldán, B.; Yáñez-Vilar, S.; Artiaga, R.; Llamas-Saiz, A. L.; Manna, R. S.; Schnelle, F.; Lang, M.; Ritter, F.; Haghighirad, A. A.; Señarís-Rodríguez, M. A.","First-order structural transition in the multiferroic perovskite-like formate [(CH3)2NH2][Mn(HCOO)3]","CrystEngComm","2014","16","17","3558","","10.1039/c3ce42411a","","","0.71073","MoKα","","0.0426","0.0371","","","0.1036","0.1066","","","","","","1.2","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215073","7.1628","0.0004","7.9091","0.0004","10.2589","0.0004","91.372","0.004","101.829","0.004","102.587","0.005","553.73","0.05","101.893","0.002","101.829","","","","","","","","","5","P -1","-P 1","2","","","","- C9 H6 Eu N3 O7 -","- C9 H6 Eu N3 O7 -","- C18 H12 Eu2 N6 O14 -","2","1","","Ahmad, Waqar; Zhang, Lijuan; Zhou, Yunshan","2-D lanthanide‒organic complexes constructed from 6,7-dihydropyrido(2,3-d)pyridazine-5,8-dione: synthesis, characterization and photoluminescence for sensing small molecules","CrystEngComm","2014","16","17","3521","","10.1039/c3ce42575d","","","0.71073","MoKα","","0.022","0.02","","","0.0426","0.0432","","","","","","1.042","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215074","7.1205","0.0003","7.8366","0.0005","10.2949","0.0006","91.199","0.005","102.326","0.004","102.157","0.004","547.33","0.05","102.2","","102.2","","","","","","","","","5","P -1","-P 1","2","","","","- C9 H6 N3 O7 Tb -","- C9 H6 N3 O7 Tb -","- C18 H12 N6 O14 Tb2 -","2","1","","Ahmad, Waqar; Zhang, Lijuan; Zhou, Yunshan","2-D lanthanide‒organic complexes constructed from 6,7-dihydropyrido(2,3-d)pyridazine-5,8-dione: synthesis, characterization and photoluminescence for sensing small molecules","CrystEngComm","2014","16","17","3521","","10.1039/c3ce42575d","","","0.7107","MoKα","","0.0331","0.0305","","","0.0672","0.069","","","","","","1.043","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215075","10.7697","0.0011","10.158","0.0008","29.054","0.003","90","","91.111","0.004","90","","3177.9","0.5","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H12 I2 N4 S2 Zn -","- C8 H12 I2 N4 S2 Zn -","- C64 H96 I16 N32 S16 Zn8 -","8","2","","Isaia, Francesco; Aragoni, M. Carla; Arca, Massimiliano; Caltagirone, Claudia; Garau, Alessandra; Jones, Peter G.; Lippolis, Vito; Montis, Riccardo","Reactivity of the drug methimazole and its iodine adduct with elemental zinc","CrystEngComm","2014","16","17","3613","","10.1039/c3ce42601g","","","0.71073","MoKα","","0.0234","0.0181","","","0.0395","0.0412","","","","","","1.058","","","","has coordinates","180481","2020-10-21","18:00:00",""
"7215129","8.998","0.012","9.624","0.013","13.044","0.018","94.09","0.03","106.38","0.03","91.93","0.03","1079","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 F N3 O7 -","- C24 H24 F N3 O7 -","- C48 H48 F2 N6 O14 -","2","1","","Huang, Xian-Feng; Zhang, Zhi-Hui; Zhang, Qing-Qing; Wang, Ling-Zhu; He, Ming-Yang; Chen, Qun; Song, Guo-Qiang; Wei, Lin; Wang, Fan; Du, Miao","Norfloxacin salts with benzenedicarboxylic acids: charge-assisted hydrogen-bonding recognition and solubility regulation","CrystEngComm","2013","15","30","6090","","10.1039/c3ce40567b","","","0.71073","MoKα","","0.0693","0.0549","","","0.1769","0.2131","","","","","","1.087","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215130","13.994","0.0017","13.6288","0.0018","22.537","0.003","90","","90","","90","","4298.3","1","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H24 F N3 O7 -","- C24 H24 F N3 O7 -","- C192 H192 F8 N24 O56 -","8","1","","Huang, Xian-Feng; Zhang, Zhi-Hui; Zhang, Qing-Qing; Wang, Ling-Zhu; He, Ming-Yang; Chen, Qun; Song, Guo-Qiang; Wei, Lin; Wang, Fan; Du, Miao","Norfloxacin salts with benzenedicarboxylic acids: charge-assisted hydrogen-bonding recognition and solubility regulation","CrystEngComm","2013","15","30","6090","","10.1039/c3ce40567b","","","0.71073","MoKα","","0.1252","0.0592","","","0.1332","0.1709","","","","","","0.995","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215131","9.8768","0.0019","10.2489","0.0019","13.674","0.003","89.319","0.004","74.752","0.004","71.679","0.004","1264","0.4","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H27 F N3 O9 -","- C28 H27 F N3 O9 -","- C56 H54 F2 N6 O18 -","2","1","","Huang, Xian-Feng; Zhang, Zhi-Hui; Zhang, Qing-Qing; Wang, Ling-Zhu; He, Ming-Yang; Chen, Qun; Song, Guo-Qiang; Wei, Lin; Wang, Fan; Du, Miao","Norfloxacin salts with benzenedicarboxylic acids: charge-assisted hydrogen-bonding recognition and solubility regulation","CrystEngComm","2013","15","30","6090","","10.1039/c3ce40567b","","","0.71073","MoKα","","0.0801","0.0585","","","0.1782","0.23","","","","","","1.079","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215132","9.567","0.0008","8.1152","0.0006","30.906","0.003","90","","92.476","0.002","90","","2397.2","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H27 F N4 O8 -","- C24 H27 F N4 O8 -","- C96 H108 F4 N16 O32 -","4","1","","Huang, Xian-Feng; Zhang, Zhi-Hui; Zhang, Qing-Qing; Wang, Ling-Zhu; He, Ming-Yang; Chen, Qun; Song, Guo-Qiang; Wei, Lin; Wang, Fan; Du, Miao","Norfloxacin salts with benzenedicarboxylic acids: charge-assisted hydrogen-bonding recognition and solubility regulation","CrystEngComm","2013","15","30","6090","","10.1039/c3ce40567b","","","0.71073","MoKα","","0.063","0.0472","","","0.1507","0.1659","","","","","","1.102","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215133","9.964","0.003","14.76","0.004","18.275","0.005","90","","90.283","0.005","90","","2687.6","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H64 F2 N8 O21 -","- C48 H64 F2 N8 O21 -","- C96 H128 F4 N16 O42 -","2","0.5","","Huang, Xian-Feng; Zhang, Zhi-Hui; Zhang, Qing-Qing; Wang, Ling-Zhu; He, Ming-Yang; Chen, Qun; Song, Guo-Qiang; Wei, Lin; Wang, Fan; Du, Miao","Norfloxacin salts with benzenedicarboxylic acids: charge-assisted hydrogen-bonding recognition and solubility regulation","CrystEngComm","2013","15","30","6090","","10.1039/c3ce40567b","","","0.71073","MoKα","","0.0952","0.0797","","","0.2345","0.2475","","","","","","1.039","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215134","13.2068","0.0019","13.2068","0.0019","14.76","0.003","90","","90","","120","","2229.5","0.6","153","2","153","2","","","","","","","","4","R 3 2 :H","R 3 2""","155","","","","- B45 K21 O90 Yb8 -","- B45 K21 O90 Yb8.031 -","- B45 K21 O90 Yb8.031 -","1","0.0555556","","Feng, Kai; Yin, Wenlong; Hao, Wenyu; Yao, Jiyong; Wu, Yicheng","A novel UV nonlinear optical crystal material: K21Yb8B45O90","CrystEngComm","2013","15","25","5064","","10.1039/c3ce40545a","","","0.71073","MoKα","","0.0191","0.0173","","","0.0412","0.0415","","","","","","0.953","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215135","14.5329","0.0007","13.9697","0.0007","25.1208","0.0018","90","","97.713","0.007","90","","5053.9","0.5","200","","200","","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C60 H116 Cl4 N O44 Ru4 V10 -","- C60 H116 Cl4 N O44 Ru4 V10 -","- C120 H232 Cl8 N2 O88 Ru8 V20 -","2","0.5","","Hashikawa, Akihiro; Sawada, Yuki; Yamamoto, Yuma; Nishio, Masaki; Kosaka, Wataru; Hayashi, Yoshihito; Miyasaka, Hitoshi","Polyoxometalate-based frameworks with a linker of paddlewheel diruthenium(ii, iii) complexes","CrystEngComm","2013","15","24","4852","","10.1039/c3ce40426a","","","0.6988","","","","0.0708","","","","0.199","","","","","","0.864","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215136","39.7827","0.001","13.3368","0.0003","12.0345","0.0002","90","","90","","90","","6385.2","0.2","93","","93","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C39 H78 Cl4 Mo6 N O27 Ru2 -","- C39 H18 Cl4 Mo6 N O27 Ru2 -","- C156 H72 Cl16 Mo24 N4 O108 Ru8 -","4","0.5","","Hashikawa, Akihiro; Sawada, Yuki; Yamamoto, Yuma; Nishio, Masaki; Kosaka, Wataru; Hayashi, Yoshihito; Miyasaka, Hitoshi","Polyoxometalate-based frameworks with a linker of paddlewheel diruthenium(ii, iii) complexes","CrystEngComm","2013","15","24","4852","","10.1039/c3ce40426a","","","0.71075","MoKα","","","0.0415","","","","0.108","","","","","","1.057","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215137","37.856","0.005","14.1562","0.0015","28.44","0.004","90","","131.399","0.002","90","","11433","3","113","","113","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C68 H132 Cl4 Mo12 N O56 P Ru4 -","- C68 H132 Cl4 Mo12 N O56 P Ru4 -","- C272 H528 Cl16 Mo48 N4 O224 P4 Ru16 -","4","0.5","","Hashikawa, Akihiro; Sawada, Yuki; Yamamoto, Yuma; Nishio, Masaki; Kosaka, Wataru; Hayashi, Yoshihito; Miyasaka, Hitoshi","Polyoxometalate-based frameworks with a linker of paddlewheel diruthenium(ii, iii) complexes","CrystEngComm","2013","15","24","4852","","10.1039/c3ce40426a","","","0.7107","MoKα","","","0.0814","","","","0.1874","","","","","","1.106","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215138","4.2457","0.0004","4.2457","0.0004","17.449","0.003","90","","90","","120","","272.4","0.06","744","2","744","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","germanium antimony telluride","","","- Ge2 Sb2 Te5 -","- Ge2.0008 Sb1.9992 Te5 -","- Ge2.0008 Sb1.9992 Te5 -","1","0.0833333","","Urban, Philipp; Schneider, Matthias N.; Erra, Loredana; Welzmiller, Simon; Fahrnbauer, Felix; Oeckler, Oliver","Temperature dependent resonant X-ray diffraction of single-crystalline Ge2Sb2Te5","CrystEngComm","2013","15","24","4823","","10.1039/c3ce26956f","","x-ray","0.40681","synchrotron","","0.0621","0.0348","","","0.0373","0.0396","","","","1.69","1.69","1.31","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215139","4.2418","0.0004","4.2418","0.0004","17.445","0.004","90","","90","","120","","271.83","0.07","692","2","692","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","germanium antimony telluride","","","- Ge2 Sb2 Te5 -","- Ge2.0006 Sb1.9994 Te5 -","- Ge2.0006 Sb1.9994 Te5 -","1","0.0833333","","Urban, Philipp; Schneider, Matthias N.; Erra, Loredana; Welzmiller, Simon; Fahrnbauer, Felix; Oeckler, Oliver","Temperature dependent resonant X-ray diffraction of single-crystalline Ge2Sb2Te5","CrystEngComm","2013","15","24","4823","","10.1039/c3ce26956f","","x-ray","0.40681","synchrotron","","0.0582","0.0353","","","0.0373","0.039","","","","1.65","1.65","1.32","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215140","4.2257","0.0002","4.2257","0.0002","17.281","0.002","90","","90","","120","","267.24","0.04","293","2","293","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","germanium antimony telluride","","","- Ge2 Sb2 Te5 -","- Ge2.0002 Sb1.9998 Te5 -","- Ge2.0002 Sb1.9998 Te5 -","1","0.0833333","","Urban, Philipp; Schneider, Matthias N.; Erra, Loredana; Welzmiller, Simon; Fahrnbauer, Felix; Oeckler, Oliver","Temperature dependent resonant X-ray diffraction of single-crystalline Ge2Sb2Te5","CrystEngComm","2013","15","24","4823","","10.1039/c3ce26956f","","","0.56085","AgKα","","0.0558","0.035","","","0.0399","0.0417","","","","1.91","1.91","1.63","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215141","4.2257","0.0002","4.2257","0.0002","17.2809","0.0018","90","","90","","120","","267.24","0.03","293","2","293","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","germanium antimony telluride","","","- Ge1.876 Sb2.039 Te5 -","- Ge1.86 Sb2.04 Te5 -","- Ge1.86 Sb2.04 Te5 -","1","0.0833333","","Urban, Philipp; Schneider, Matthias N.; Erra, Loredana; Welzmiller, Simon; Fahrnbauer, Felix; Oeckler, Oliver","Temperature dependent resonant X-ray diffraction of single-crystalline Ge2Sb2Te5","CrystEngComm","2013","15","24","4823","","10.1039/c3ce26956f","","x-ray","0.40681","synchrotron","","0.0371","0.0275","","","0.0324","0.0334","","","","1.43","1.43","1.28","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215142","4.2374","0.0002","4.2374","0.0002","17.3459","0.0018","90","","90","","120","","269.73","0.03","486","2","486","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","germanium antimony telluride","","","- Ge2 Sb2 Te5 -","- Ge1.999 Sb2.001 Te5 -","- Ge1.999 Sb2.001 Te5 -","1","0.0833333","","Urban, Philipp; Schneider, Matthias N.; Erra, Loredana; Welzmiller, Simon; Fahrnbauer, Felix; Oeckler, Oliver","Temperature dependent resonant X-ray diffraction of single-crystalline Ge2Sb2Te5","CrystEngComm","2013","15","24","4823","","10.1039/c3ce26956f","","x-ray","0.40681","synchrotron","","0.0446","0.0298","","","0.0346","0.0359","","","","1.55","1.55","1.31","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215143","4.2434","0.0003","4.2434","0.0003","17.389","0.002","90","","90","","120","","271.16","0.04","589","2","589","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","germanium antimony telluride","","","- Ge2 Sb2 Te5 -","- Ge2.0002 Sb1.9998 Te5 -","- Ge2.0002 Sb1.9998 Te5 -","1","0.0833333","","Urban, Philipp; Schneider, Matthias N.; Erra, Loredana; Welzmiller, Simon; Fahrnbauer, Felix; Oeckler, Oliver","Temperature dependent resonant X-ray diffraction of single-crystalline Ge2Sb2Te5","CrystEngComm","2013","15","24","4823","","10.1039/c3ce26956f","","x-ray","0.40681","synchrotron","","0.0567","0.036","","","0.0383","0.0401","","","","1.7","1.7","1.37","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215144","10.7437","0.0014","11.9023","0.0015","12.0615","0.0016","90.789","0.002","108.826","0.002","110.71","0.002","1351.2","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H14 Br4 Cd N6 O5 -","- C23 H14 Br4 Cd N6 O5 -","- C46 H28 Br8 Cd2 N12 O10 -","2","1","","Wang, Lei; Yan, Zhi-Hao; Xiao, Zhenyu; Guo, Dong; Wang, Wenqiang; Yang, Yu","Reactant ratio-modulated entangled Cd(ii) coordination polymers based on rigid tripodal imidazole ligand and tetrabromoterephthalic acid: interpenetration, interdigitation and self-penetration","CrystEngComm","2013","15","27","5552","","10.1039/c3ce40273h","","","0.71073","MoKα","","0.0483","0.0332","","","0.0697","0.0756","","","","","","1.003","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215145","12.5908","0.0013","12.7757","0.0014","13.737","0.0015","86.559","0.002","80.567","0.002","72.878","0.002","2083","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H22 Br8 Cd N6 O10 -","- C33 H22 Br8 Cd N6 O10 -","- C66 H44 Br16 Cd2 N12 O20 -","2","1","","Wang, Lei; Yan, Zhi-Hao; Xiao, Zhenyu; Guo, Dong; Wang, Wenqiang; Yang, Yu","Reactant ratio-modulated entangled Cd(ii) coordination polymers based on rigid tripodal imidazole ligand and tetrabromoterephthalic acid: interpenetration, interdigitation and self-penetration","CrystEngComm","2013","15","27","5552","","10.1039/c3ce40273h","","","0.71073","MoKα","","0.0674","0.0382","","","0.0791","0.0889","","","","","","0.995","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215146","13.5703","0.001","14.408","0.0011","19.4879","0.0015","93.937","0.001","109.856","0.001","93.505","0.001","3560.8","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H26 Br8 Cd2 N12 O9 -","- C46 H26 Br8 Cd2 N12 O9 -","- C92 H52 Br16 Cd4 N24 O18 -","2","1","","Wang, Lei; Yan, Zhi-Hao; Xiao, Zhenyu; Guo, Dong; Wang, Wenqiang; Yang, Yu","Reactant ratio-modulated entangled Cd(ii) coordination polymers based on rigid tripodal imidazole ligand and tetrabromoterephthalic acid: interpenetration, interdigitation and self-penetration","CrystEngComm","2013","15","27","5552","","10.1039/c3ce40273h","","","0.71073","MoKα","","0.092","0.0597","","","0.1568","0.1715","","","","","","0.959","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215147","13.6363","0.0011","16.8584","0.0015","8.226","0.0009","90","","99.159","0.001","90","","1866.9","0.3","145","13","145","13","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H37 N3 O13 Zn2 -","- C37 H37 N3 O13 Zn2 -","- C74 H74 N6 O26 Zn4 -","2","0.5","","Liu, Ting; Wang, Suna; Lu, Jing; Dou, Jianmin; Niu, Meiju; Li, Dacheng; Bai, Junfeng","Positional isomeric and substituent effect on the assemblies of a series of d10 coordination polymers based upon unsymmetric tricarboxylate acids and nitrogen-containing ligands","CrystEngComm","2013","15","27","5476","","10.1039/c3ce40583d","","","0.7107","MoKα","","0.059","0.0422","","","0.0922","0.1032","","","","","","1.067","","","","has coordinates,has disorder","180482","2020-10-21","18:00:00",""
"7215148","13.9411","0.0008","17.0817","0.0012","7.668","0.0018","90","","91.974","0.009","90","","1825","0.5","121.4","0.1","121.4","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H37 Cd2 N3 O13 -","- C37 H37 Cd2 N3 O13 -","- C74 H74 Cd4 N6 O26 -","2","0.5","","Liu, Ting; Wang, Suna; Lu, Jing; Dou, Jianmin; Niu, Meiju; Li, Dacheng; Bai, Junfeng","Positional isomeric and substituent effect on the assemblies of a series of d10 coordination polymers based upon unsymmetric tricarboxylate acids and nitrogen-containing ligands","CrystEngComm","2013","15","27","5476","","10.1039/c3ce40583d","","","0.7107","MoKα","","0.1512","0.081","","","0.2001","0.2618","","","","","","1.053","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215149","15.1064","0.0014","13.6928","0.0012","22.126","0.002","90","","90","","90","","4576.7","0.7","121.4","0.1","121.4","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H18 N2 O6 Zn -","- C27 H18 N2 O6 Zn -","- C216 H144 N16 O48 Zn8 -","8","1","","Liu, Ting; Wang, Suna; Lu, Jing; Dou, Jianmin; Niu, Meiju; Li, Dacheng; Bai, Junfeng","Positional isomeric and substituent effect on the assemblies of a series of d10 coordination polymers based upon unsymmetric tricarboxylate acids and nitrogen-containing ligands","CrystEngComm","2013","15","27","5476","","10.1039/c3ce40583d","","","0.7107","MoKα","","0.075","0.0482","","","0.0968","0.1112","","","","","","1.035","","","","has coordinates,has disorder","180482","2020-10-21","18:00:00",""
"7215150","7.3348","0.0005","18.9816","0.0016","33.871","0.003","90","","90","","90","","4715.7","0.7","125","6","125","6","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C54 H42 N4 O13 Zn2 -","- C54 H42 N4 O13 Zn2 -","- C216 H168 N16 O52 Zn8 -","4","0.5","","Liu, Ting; Wang, Suna; Lu, Jing; Dou, Jianmin; Niu, Meiju; Li, Dacheng; Bai, Junfeng","Positional isomeric and substituent effect on the assemblies of a series of d10 coordination polymers based upon unsymmetric tricarboxylate acids and nitrogen-containing ligands","CrystEngComm","2013","15","27","5476","","10.1039/c3ce40583d","","","0.7107","MoKα","","0.0904","0.0644","","","0.1173","0.1297","","","","","","1.08","","","","has coordinates,has disorder","180482","2020-10-21","18:00:00",""
"7215151","10.2647","0.0011","13.926","0.0014","29.09","0.003","90","","99.377","0.001","90","","4102.7","0.7","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H34 Cd2 N2 O16 -","- C42 H34 Cd2 N2 O16 -","- C168 H136 Cd8 N8 O64 -","4","1","","Liu, Ting; Wang, Suna; Lu, Jing; Dou, Jianmin; Niu, Meiju; Li, Dacheng; Bai, Junfeng","Positional isomeric and substituent effect on the assemblies of a series of d10 coordination polymers based upon unsymmetric tricarboxylate acids and nitrogen-containing ligands","CrystEngComm","2013","15","27","5476","","10.1039/c3ce40583d","","","0.71073","MoKα","","0.1925","0.0728","","","0.1312","0.1652","","","","","","0.888","","","","has coordinates,has disorder","180482","2020-10-21","18:00:00",""
"7215152","10.1479","0.0012","13.8385","0.0015","28.596","0.002","90","","100.104","0.001","90","","3953.5","0.7","121.2","0.14","121.2","0.14","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H36 Cd2 N2 O16 -","- C42 H36 Cd2 N2 O16 -","- C168 H144 Cd8 N8 O64 -","4","1","","Liu, Ting; Wang, Suna; Lu, Jing; Dou, Jianmin; Niu, Meiju; Li, Dacheng; Bai, Junfeng","Positional isomeric and substituent effect on the assemblies of a series of d10 coordination polymers based upon unsymmetric tricarboxylate acids and nitrogen-containing ligands","CrystEngComm","2013","15","27","5476","","10.1039/c3ce40583d","","","0.7107","MoKα","","0.1347","0.0812","","","0.1943","0.2431","","","","","","1.073","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215153","19.507","0.002","12.5344","0.0009","11.6931","0.0014","90","","115.375","0.01","90","","2583.2","0.5","121.5","0.14","121.5","0.14","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H23 N3 O10 Zn -","- C27 H23 N3 O10 Zn -","- C108 H92 N12 O40 Zn4 -","4","0.5","","Liu, Ting; Wang, Suna; Lu, Jing; Dou, Jianmin; Niu, Meiju; Li, Dacheng; Bai, Junfeng","Positional isomeric and substituent effect on the assemblies of a series of d10 coordination polymers based upon unsymmetric tricarboxylate acids and nitrogen-containing ligands","CrystEngComm","2013","15","27","5476","","10.1039/c3ce40583d","","","0.7107","MoKα","","0.1437","0.079","","","0.169","0.2139","","","","","","1.083","","","","has coordinates,has disorder","180482","2020-10-21","18:00:00",""
"7215154","9.378","0.002","12.245","0.003","13.488","0.003","90","","92.744","0.003","90","","1547.1","0.6","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H14 Cl0 N7 O3 V -","- C13 H14 N7 O3 V -","- C52 H56 N28 O12 V4 -","4","1","","Chen, Chen; Sun, Qiao; Ren, Dong-Xue; Zhang, Rui; Bai, Feng-Ying; Xing, Yong-Heng; Shi, Zhan","Bromoperoxidase mimic as catalysts for oxidative bromination—synthesis, structures and properties of the diversified oxidation state of vanadium(iii, iv and v) complexes with pincer N-heterocycle ligands","CrystEngComm","2013","15","27","5561","","10.1039/c3ce40410b","","","0.71073","MoKα","","0.0487","0.0425","","","0.1251","0.1293","","","","","","1.081","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215155","13.447","0.003","8.7943","0.0018","22.021","0.004","90","","105.599","0.003","90","","2508.2","0.9","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H24 N10 O S2 V -","- C19 H24 N10 O S2 V -","- C76 H96 N40 O4 S8 V4 -","4","1","","Chen, Chen; Sun, Qiao; Ren, Dong-Xue; Zhang, Rui; Bai, Feng-Ying; Xing, Yong-Heng; Shi, Zhan","Bromoperoxidase mimic as catalysts for oxidative bromination—synthesis, structures and properties of the diversified oxidation state of vanadium(iii, iv and v) complexes with pincer N-heterocycle ligands","CrystEngComm","2013","15","27","5561","","10.1039/c3ce40410b","","","0.71073","MoKα","","0.0946","0.0538","","","0.1201","0.1401","","","","","","1.023","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215156","9.3562","0.001","11.9681","0.0012","11.9868","0.0012","60.215","0.002","84.303","0.002","81.998","0.002","1152.9","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H52 N16 O14 V2 -","- C40 H52 N16 O14 V2 -","- C40 H52 N16 O14 V2 -","1","0.5","","Chen, Chen; Sun, Qiao; Ren, Dong-Xue; Zhang, Rui; Bai, Feng-Ying; Xing, Yong-Heng; Shi, Zhan","Bromoperoxidase mimic as catalysts for oxidative bromination—synthesis, structures and properties of the diversified oxidation state of vanadium(iii, iv and v) complexes with pincer N-heterocycle ligands","CrystEngComm","2013","15","27","5561","","10.1039/c3ce40410b","","","0.71073","MoKα","","0.0737","0.0507","","","0.124","0.1332","","","","","","1.014","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215157","8.009","0.0017","12.111","0.003","18.06","0.004","90","","92.664","0.003","90","","1749.9","0.7","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H17 N5 O7 S V -","- C13 H17 N5 O7 S V -","- C52 H68 N20 O28 S4 V4 -","4","1","","Chen, Chen; Sun, Qiao; Ren, Dong-Xue; Zhang, Rui; Bai, Feng-Ying; Xing, Yong-Heng; Shi, Zhan","Bromoperoxidase mimic as catalysts for oxidative bromination—synthesis, structures and properties of the diversified oxidation state of vanadium(iii, iv and v) complexes with pincer N-heterocycle ligands","CrystEngComm","2013","15","27","5561","","10.1039/c3ce40410b","","","0.71073","MoKα","","0.0928","0.0531","","","0.1315","0.1535","","","","","","1.021","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215158","12.26","0.002","8.0264","0.0015","19.192","0.004","90","","102.58","0.002","90","","1843.2","0.6","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 N5 O6 S V -","- C15 H19 N5 O6 S V -","- C60 H76 N20 O24 S4 V4 -","4","1","","Chen, Chen; Sun, Qiao; Ren, Dong-Xue; Zhang, Rui; Bai, Feng-Ying; Xing, Yong-Heng; Shi, Zhan","Bromoperoxidase mimic as catalysts for oxidative bromination—synthesis, structures and properties of the diversified oxidation state of vanadium(iii, iv and v) complexes with pincer N-heterocycle ligands","CrystEngComm","2013","15","27","5561","","10.1039/c3ce40410b","","","0.71073","MoKα","","0.0564","0.0442","","","0.1167","0.1234","","","","","","1.066","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215159","15.139","0.004","4.0242","0.0007","20.829","0.005","90","","90.99","0.02","90","","1268.8","0.5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 Br4 Hg N6 O2 -","- C22 H16 Br4 Hg N6 O2 -","- C44 H32 Br8 Hg2 N12 O4 -","2","0.5","","Khavasi, Hamid Reza; Tahrani, Alireza Azhdari","The role of secondary bonding on supramolecular assembly of coordination compounds: diversity of coordination modes and supramolecular structures","CrystEngComm","2013","15","29","5799","","10.1039/c3ce40433a","","","0.71073","MoKα","","0.1037","0.0618","","","0.1583","0.1965","","","","","","0.952","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215160","14.8401","0.0002","3.887","0.0002","20.9156","0.0002","90","","90.532","0.001","90","","1206.43","0.07","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 Br2 Cl2 Hg N6 O2 -","- C22 H16 Br2 Cl2 Hg N6 O2 -","- C44 H32 Br4 Cl4 Hg2 N12 O4 -","2","0.5","","Khavasi, Hamid Reza; Tahrani, Alireza Azhdari","The role of secondary bonding on supramolecular assembly of coordination compounds: diversity of coordination modes and supramolecular structures","CrystEngComm","2013","15","29","5799","","10.1039/c3ce40433a","","","0.71073","MoKα","","0.0566","0.0318","","","0.058","0.0645","","","","","","0.986","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215161","13.5526","0.0008","4.4302","0.0003","22.2992","0.0014","90","","90.631","0.005","90","","1338.78","0.15","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 Br2 Hg I2 N6 O2 -","- C22 H16 Br2 Hg I2 N6 O2 -","- C44 H32 Br4 Hg2 I4 N12 O4 -","2","0.5","","Khavasi, Hamid Reza; Tahrani, Alireza Azhdari","The role of secondary bonding on supramolecular assembly of coordination compounds: diversity of coordination modes and supramolecular structures","CrystEngComm","2013","15","29","5799","","10.1039/c3ce40433a","","","0.71073","MoKα","","0.0647","0.0466","","","0.102","0.1087","","","","","","0.977","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215162","14.5572","0.0007","7.3163","0.0004","24.0305","0.001","90","","101.012","0.004","90","","2512.2","0.2","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 Br2 Cl2 Hg N6 O2 -","- C22 H16 Br2 Cl2 Hg N6 O2 -","- C88 H64 Br8 Cl8 Hg4 N24 O8 -","4","1","","Khavasi, Hamid Reza; Tahrani, Alireza Azhdari","The role of secondary bonding on supramolecular assembly of coordination compounds: diversity of coordination modes and supramolecular structures","CrystEngComm","2013","15","29","5799","","10.1039/c3ce40433a","","","0.71073","MoKα","","0.0823","0.0713","","","0.1717","0.1798","","","","","","1.187","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215163","14.906","0.003","3.8968","0.0008","20.955","0.004","90","","90.7","0.03","90","","1217.1","0.4","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 Cl4 Hg N6 O2 -","- C22 H16 Cl4 Hg N6 O2 -","- C44 H32 Cl8 Hg2 N12 O4 -","2","0.5","","Khavasi, Hamid Reza; Tahrani, Alireza Azhdari","The role of secondary bonding on supramolecular assembly of coordination compounds: diversity of coordination modes and supramolecular structures","CrystEngComm","2013","15","29","5799","","10.1039/c3ce40433a","","","0.71073","MoKα","","0.0375","0.03","","","0.0808","0.0924","","","","","","1.166","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215164","14.5824","0.0012","7.4123","0.0006","24.848","0.002","90","","102.074","0.007","90","","2626.4","0.4","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 Cl2 Hg I2 N6 O2 -","- C22 H16 Cl2 Hg I2 N6 O2 -","- C88 H64 Cl8 Hg4 I8 N24 O8 -","4","1","","Khavasi, Hamid Reza; Tahrani, Alireza Azhdari","The role of secondary bonding on supramolecular assembly of coordination compounds: diversity of coordination modes and supramolecular structures","CrystEngComm","2013","15","29","5799","","10.1039/c3ce40433a","","","0.71073","MoKα","","0.0757","0.0671","","","0.1756","0.1846","","","","","","1.151","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215165","4.1959","0.0013","11.098","0.004","13.238","0.004","105.92","0.03","94.03","0.03","92.17","0.03","590.3","0.3","298","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H16 Br2 F2 Hg N6 O2 -","- C22 H16 Br2 F2 Hg N6 O2 -","- C22 H16 Br2 F2 Hg N6 O2 -","1","0.5","","Khavasi, Hamid Reza; Tahrani, Alireza Azhdari","The role of secondary bonding on supramolecular assembly of coordination compounds: diversity of coordination modes and supramolecular structures","CrystEngComm","2013","15","29","5799","","10.1039/c3ce40433a","","","0.71073","MoKα","","0.1465","0.1196","","","0.3144","0.3452","","","","","","1.309","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215166","7.4778","0.0014","13.555","0.002","13.597","0.002","119.497","0.012","90.612","0.014","101.727","0.013","1164.6","0.4","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H16 Cl2 F2 Hg N6 O2 -","- C22 H16 Cl2 F2 Hg N6 O2 -","- C44 H32 Cl4 F4 Hg2 N12 O4 -","2","1","","Khavasi, Hamid Reza; Tahrani, Alireza Azhdari","The role of secondary bonding on supramolecular assembly of coordination compounds: diversity of coordination modes and supramolecular structures","CrystEngComm","2013","15","29","5799","","10.1039/c3ce40433a","","","0.71073","MoKα","","0.1059","0.0739","","","0.1638","0.177","","","","","","1.14","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215167","13.9671","0.0011","7.6637","0.0005","23.921","0.002","90","","101.728","0.007","90","","2507","0.3","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 F2 Hg I2 N6 O2 -","- C22 H16 F2 Hg I2 N6 O2 -","- C88 H64 F8 Hg4 I8 N24 O8 -","4","1","","Khavasi, Hamid Reza; Tahrani, Alireza Azhdari","The role of secondary bonding on supramolecular assembly of coordination compounds: diversity of coordination modes and supramolecular structures","CrystEngComm","2013","15","29","5799","","10.1039/c3ce40433a","","","0.71073","MoKα","","0.0779","0.0499","","","0.1021","0.1125","","","","","","1.069","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215168","7.893","0.003","8.012","0.003","13.861","0.005","101.27","0.03","92.18","0.03","115","0.03","771.9","0.6","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C11 H8 Br2 Hg I N3 O -","- C11 H8 Br2 Hg I N3 O -","- C22 H16 Br4 Hg2 I2 N6 O2 -","2","1","","Khavasi, Hamid Reza; Tahrani, Alireza Azhdari","The role of secondary bonding on supramolecular assembly of coordination compounds: diversity of coordination modes and supramolecular structures","CrystEngComm","2013","15","29","5799","","10.1039/c3ce40433a","","","0.71073","MoKα","","0.1388","0.1121","","","0.2849","0.3025","","","","","","1.183","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215169","43.913","0.008","4.098","0.0006","15.368","0.003","90","","104.707","0.013","90","","2674.9","0.8","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 Cl2 Hg I2 N6 O2 -","- C22 H16 Cl2 Hg I2 N6 O2 -","- C88 H64 Cl8 Hg4 I8 N24 O8 -","4","0.5","","Khavasi, Hamid Reza; Tahrani, Alireza Azhdari","The role of secondary bonding on supramolecular assembly of coordination compounds: diversity of coordination modes and supramolecular structures","CrystEngComm","2013","15","29","5799","","10.1039/c3ce40433a","","","0.71073","MoKα","","0.0788","0.0596","","","0.1261","0.1349","","","","","","1.216","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215170","14.3544","0.0009","7.8891","0.0006","14.744","0.0011","90","","99.842","0.005","90","","1645.1","0.2","298","2","298","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C11 H8 Hg I3 N3 O -","- C11 H8 Hg I3 N3 O -","- C44 H32 Hg4 I12 N12 O4 -","4","1","","Khavasi, Hamid Reza; Tahrani, Alireza Azhdari","The role of secondary bonding on supramolecular assembly of coordination compounds: diversity of coordination modes and supramolecular structures","CrystEngComm","2013","15","29","5799","","10.1039/c3ce40433a","","","0.71073","MoKα","","0.0694","0.0619","","","0.1592","0.1653","","","","","","1.033","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215171","13.8783","0.0008","13.8783","0.0008","20.2283","0.0015","90","","90","","120","","3374.1","0.4","220","","220","","","","","","","","","4","R -3 :H","-R 3","148","Rb2Sn1Cu3F12","","","- Cu3 F12 Rb2 Sn -","- Cu3 F12 Rb2 Sn -","- Cu36 F144 Rb24 Sn12 -","12","0.666667","","Downie, Lewis J.; Thompson, Stephen P.; Tang, Chiu C.; Parsons, Simon; Lightfoot, Philip","Re-entrant structural phase transition in a frustrated kagome magnet, Rb2SnCu3F12","CrystEngComm","2013","15","37","7426","","10.1039/c3ce41422a","","","0.71073","MoKα","","0.0617","0.0479","","","0.0873","0.0914","","","","","","1.151","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7215172","13.9053","0.0013","13.9053","0.0013","20.333","0.003","90","","90","","120","","3404.8","0.7","300","","300","","","","","","","","","4","R -3 :H","-R 3","148","Rb2SnCu3F12","","","- Cu3 F12 Rb2 Sn -","- Cu3 F12 Rb2 Sn -","- Cu36 F144 Rb24 Sn12 -","12","0.666667","","Downie, Lewis J.; Thompson, Stephen P.; Tang, Chiu C.; Parsons, Simon; Lightfoot, Philip","Re-entrant structural phase transition in a frustrated kagome magnet, Rb2SnCu3F12","CrystEngComm","2013","15","37","7426","","10.1039/c3ce41422a","","","0.71073","MoKα","","0.0434","0.0287","","","0.0664","0.0736","","","","","","1.03","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7215173","13.8636","0.0003","13.8636","0.0004","20.1758","0.0004","90","","90","","120","","3358.25","0.14","140","","140","","","","","","","","","4","R -3 :H","-R 3","148","Rb2SnCu3F12","","","- Cu3 F12 Rb2 Sn -","- Cu3 F12 Rb2 Sn -","- Cu36 F144 Rb24 Sn12 -","12","0.666667","","Downie, Lewis J.; Thompson, Stephen P.; Tang, Chiu C.; Parsons, Simon; Lightfoot, Philip","Re-entrant structural phase transition in a frustrated kagome magnet, Rb2SnCu3F12","CrystEngComm","2013","15","37","7426","","10.1039/c3ce41422a","","","0.71073","MoKα","","0.0638","0.0562","","","0.1132","0.1163","","","","","","1.161","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7215174","13.8771","0.0008","13.8771","0.0008","20.2392","0.0013","90","","90","","120","","3375.4","0.4","230","","230","","","","","","","","","4","R -3 :H","-R 3","148","Rb2Sn1Cu3F12","","","- Cu3 F12 Rb2 Sn -","- Cu3 F12 Rb2 Sn -","- Cu36 F144 Rb24 Sn12 -","12","0.666667","","Downie, Lewis J.; Thompson, Stephen P.; Tang, Chiu C.; Parsons, Simon; Lightfoot, Philip","Re-entrant structural phase transition in a frustrated kagome magnet, Rb2SnCu3F12","CrystEngComm","2013","15","37","7426","","10.1039/c3ce41422a","","","0.71073","MoKα","","0.0592","0.047","","","0.0964","0.1014","","","","","","1.168","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7215175","13.8749","0.001","13.8749","0.001","20.2458","0.0014","90","","90","","120","","3375.4","0.4","245","","245","","","","","","","","","4","R -3 :H","-R 3","148","Rb2Sn1Cu3F12","","","- Cu3 F12 Rb2 Sn -","- Cu3 F12 Rb2 Sn -","- Cu36 F144 Rb24 Sn12 -","12","0.666667","","Downie, Lewis J.; Thompson, Stephen P.; Tang, Chiu C.; Parsons, Simon; Lightfoot, Philip","Re-entrant structural phase transition in a frustrated kagome magnet, Rb2SnCu3F12","CrystEngComm","2013","15","37","7426","","10.1039/c3ce41422a","","","0.71073","MoKα","","0.0707","0.0515","","","0.1101","0.1189","","","","","","1.124","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7215176","9.694","0.005","24.806","0.001","15.879","0.0007","90","","90","","90","","3818","2","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C36 H38 Co3 N2 O17 -","- C36 H34 Co3 N2 O17 -","- C144 H136 Co12 N8 O68 -","4","0.5","","Han, Rong-Min; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","Syntheses, structures, and photoluminescent properties of a series of coordination polymers based on a new 2′-carboxybiphenyl-4-ylmethylaminodiacetic acid and different N-donor ligands","CrystEngComm","2013","15","28","5641","","10.1039/c3ce40528a","","","0.71069","MoKα","","0.0422","0.0348","","","0.0879","0.0935","","","","","","1.063","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215177","9.678","0.0004","24.873","0.0012","15.827","0.0008","90","","90","","90","","3809.9","0.3","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C36 H38 N2 O17 Zn3 -","- C36 H34 N2 O17 Zn3 -","- C144 H136 N8 O68 Zn12 -","4","0.5","","Han, Rong-Min; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","Syntheses, structures, and photoluminescent properties of a series of coordination polymers based on a new 2′-carboxybiphenyl-4-ylmethylaminodiacetic acid and different N-donor ligands","CrystEngComm","2013","15","28","5641","","10.1039/c3ce40528a","","","0.71069","MoKα","","0.0406","0.0317","","","0.0753","0.0799","","","","","","1.08","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215178","13.444","0.0005","8.406","0.0004","23.783","0.0007","90","","93.752","0.003","90","","2681.96","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H52 Co3 N6 O16 -","- C56 H48 Co3 N6 O16 -","- C112 H96 Co6 N12 O32 -","2","0.5","","Han, Rong-Min; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","Syntheses, structures, and photoluminescent properties of a series of coordination polymers based on a new 2′-carboxybiphenyl-4-ylmethylaminodiacetic acid and different N-donor ligands","CrystEngComm","2013","15","28","5641","","10.1039/c3ce40528a","","","0.71069","MoKα","","0.0615","0.0441","","","0.0996","0.1098","","","","","","1.038","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7215179","9.653","0.0004","13.823","0.0005","15.233","0.0008","81.369","0.004","78.69","0.004","75.595","0.004","1919.45","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H84 N14 Ni3 O18 -","- C78 H74 N14 Ni3 O18 -","- C78 H74 N14 Ni3 O18 -","1","0.5","","Han, Rong-Min; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","Syntheses, structures, and photoluminescent properties of a series of coordination polymers based on a new 2′-carboxybiphenyl-4-ylmethylaminodiacetic acid and different N-donor ligands","CrystEngComm","2013","15","28","5641","","10.1039/c3ce40528a","","","0.71069","MoKα","","0.0877","0.0544","","","0.1319","0.1519","","","","","","1.014","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215180","8.299","0.0004","12.733","0.0007","15.717","0.0007","76.61","0.004","84.891","0.004","86.738","0.004","1608.14","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H68 Co3 N14 O20 -","- C60 H64 Co3 N14 O20 -","- C60 H64 Co3 N14 O20 -","1","0.5","","Han, Rong-Min; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","Syntheses, structures, and photoluminescent properties of a series of coordination polymers based on a new 2′-carboxybiphenyl-4-ylmethylaminodiacetic acid and different N-donor ligands","CrystEngComm","2013","15","28","5641","","10.1039/c3ce40528a","","","0.71069","MoKα","","0.0577","0.0417","","","0.0918","0.1013","","","","","","1.023","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215181","8.286","0.0009","12.649","0.0014","15.745","0.0015","76.209","0.009","84.84","0.009","86.847","0.009","1595.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H68 N14 Ni3 O20 -","- C60 H68 N14 Ni3 O20 -","- C60 H68 N14 Ni3 O20 -","1","0.5","","Han, Rong-Min; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","Syntheses, structures, and photoluminescent properties of a series of coordination polymers based on a new 2′-carboxybiphenyl-4-ylmethylaminodiacetic acid and different N-donor ligands","CrystEngComm","2013","15","28","5641","","10.1039/c3ce40528a","","","0.71069","MoKα","","0.0731","0.0476","","","0.0828","0.0938","","","","","","1.028","","","","has coordinates,has disorder","180482","2020-10-21","18:00:00",""
"7215182","8.261","0.0005","12.761","0.0007","15.75","0.0011","76.617","0.005","85.085","0.005","86.823","0.005","1608.23","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H68 N14 O20 Zn3 -","- C60 H64 N14 O20 Zn3 -","- C60 H64 N14 O20 Zn3 -","1","0.5","","Han, Rong-Min; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","Syntheses, structures, and photoluminescent properties of a series of coordination polymers based on a new 2′-carboxybiphenyl-4-ylmethylaminodiacetic acid and different N-donor ligands","CrystEngComm","2013","15","28","5641","","10.1039/c3ce40528a","","","0.71069","MoKα","","0.0584","0.0407","","","0.0882","0.0972","","","","","","1.026","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215183","8.628","0.0004","11.714","0.0006","16.556","0.0008","78.743","0.004","80.461","0.004","84.379","0.004","1614.68","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H72 Co3 N10 O20 -","- C64 H68 Co3 N10 O20 -","- C64 H68 Co3 N10 O20 -","1","0.5","","Han, Rong-Min; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","Syntheses, structures, and photoluminescent properties of a series of coordination polymers based on a new 2′-carboxybiphenyl-4-ylmethylaminodiacetic acid and different N-donor ligands","CrystEngComm","2013","15","28","5641","","10.1039/c3ce40528a","","","0.71069","MoKα","","0.05","0.0383","","","0.0931","0.1007","","","","","","1.028","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215184","10.104","0.0006","10.537","0.0008","15.197","0.0009","70.911","0.006","87.456","0.005","87.386","0.006","1526.66","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H72 Co3 N10 O20 -","- C56 H64 Co3 N10 O20 -","- C56 H64 Co3 N10 O20 -","1","0.5","","Han, Rong-Min; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","Syntheses, structures, and photoluminescent properties of a series of coordination polymers based on a new 2′-carboxybiphenyl-4-ylmethylaminodiacetic acid and different N-donor ligands","CrystEngComm","2013","15","28","5641","","10.1039/c3ce40528a","","","0.71069","MoKα","","0.0443","0.0341","","","0.0782","0.0844","","","","","","1.05","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215185","16.746","0.0008","7.019","0.0003","18.05","0.0009","90","","116.184","0.006","90","","1903.88","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 N Ni O9 -","- C18 H21 N Ni O9 -","- C72 H84 N4 Ni4 O36 -","4","1","","Han, Rong-Min; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","Syntheses, structures, and photoluminescent properties of a series of coordination polymers based on a new 2′-carboxybiphenyl-4-ylmethylaminodiacetic acid and different N-donor ligands","CrystEngComm","2013","15","28","5641","","10.1039/c3ce40528a","","","0.71069","MoKα","","0.0267","0.0237","","","0.0596","0.0615","","","","","","1.04","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215186","15.4078","0.0008","11.8022","0.0007","18.1893","0.001","90","","109.455","0.006","90","","3118.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Ca2 H62 Na6 O72 W12 -","- Ca2 Na6 O72 W12 -","- Ca4 Na12 O144 W24 -","2","0.5","","Cui, Keyu; Li, Fengyan; Xu, Lin; Wang, Yuchao; Sun, Zhixia; Fu, Honggang","A 3D all-inorganic architecture based on the [H2W12O42]10− building block with different alkaline-earth metal linkers: crystal structures, surface photovoltage and photoluminescent properties","CrystEngComm","2013","15","23","4721","","10.1039/c3ce40222c","","","0.71073","MoKα","","0.0859","0.0502","","","0.0804","0.0918","","","","","","0.97","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215187","15.8131","0.0004","12.3772","0.0003","15.9268","0.0004","90","","101.166","0.002","90","","3058.22","0.13","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- H54 O68 Sr4 W12 -","- O68 Sr4 W12 -","- O136 Sr8 W24 -","2","0.5","","Cui, Keyu; Li, Fengyan; Xu, Lin; Wang, Yuchao; Sun, Zhixia; Fu, Honggang","A 3D all-inorganic architecture based on the [H2W12O42]10− building block with different alkaline-earth metal linkers: crystal structures, surface photovoltage and photoluminescent properties","CrystEngComm","2013","15","23","4721","","10.1039/c3ce40222c","","","0.71073","MoKα","","0.0536","0.0335","","","0.0547","0.0558","","","","","","1.126","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215188","11.4169","0.0012","23.762","0.003","12.4588","0.0014","90","","110.587","0.001","90","","3164.1","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- H62 Na2 O72 Sr4 W12 -","- Na2 O72 Sr4 W12 -","- Na4 O144 Sr8 W24 -","2","0.5","","Cui, Keyu; Li, Fengyan; Xu, Lin; Wang, Yuchao; Sun, Zhixia; Fu, Honggang","A 3D all-inorganic architecture based on the [H2W12O42]10− building block with different alkaline-earth metal linkers: crystal structures, surface photovoltage and photoluminescent properties","CrystEngComm","2013","15","23","4721","","10.1039/c3ce40222c","","","0.71073","MoKα","","0.0663","0.0582","","","0.1507","0.1574","","","","","","1.035","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215189","11.4467","0.0005","23.8573","0.0008","12.462","0.0005","90","","110.458","0.004","90","","3188.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Ba4 H61 Na2 O71.5 W12 -","- Ba4 Na2 O71.5 W12 -","- Ba8 Na4 O143 W24 -","2","0.5","","Cui, Keyu; Li, Fengyan; Xu, Lin; Wang, Yuchao; Sun, Zhixia; Fu, Honggang","A 3D all-inorganic architecture based on the [H2W12O42]10− building block with different alkaline-earth metal linkers: crystal structures, surface photovoltage and photoluminescent properties","CrystEngComm","2013","15","23","4721","","10.1039/c3ce40222c","","","0.71073","MoKα","","0.0823","0.0618","","","0.1639","0.1785","","","","","","1.059","","","","has coordinates","287753","2023-11-23","09:34:45",""
"7215192","13.7574","0.0009","11.2371","0.0008","19.0368","0.0012","90","","95.529","0.002","90","","2929.3","0.3","90","2","90","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 Ag2 F6 N4 O9 S2 -","- C24 H18 Ag2 F6 N4 O9 S2 -","- C96 H72 Ag8 F24 N16 O36 S8 -","4","0.5","","Patil, Komal M.; Cameron, Scott A.; Moratti, Stephen C.; Hanton, Lyall R.","Effect of anion on Ag(i) meso-helical chains formed with 4,4′-dipyridyl ketone: solvent versus anion bridging and anion effects on the strength of ligand binding","CrystEngComm","2014","16","21","4587","","10.1039/c4ce00155a","","","0.71069","MoKα","","0.0204","0.0199","","","0.0522","0.0525","","","","","","1.146","","","","has coordinates,has disorder","180482","2020-10-21","18:00:00",""
"7215193","12.4586","0.0005","9.8846","0.0004","21.2874","0.0009","90","","102.794","0.0018","90","","2556.43","0.18","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H18 Ag2 Cl2 N4 O11 -","- C22 H18 Ag2 Cl2 N4 O11 -","- C88 H72 Ag8 Cl8 N16 O44 -","4","0.5","","Patil, Komal M.; Cameron, Scott A.; Moratti, Stephen C.; Hanton, Lyall R.","Effect of anion on Ag(i) meso-helical chains formed with 4,4′-dipyridyl ketone: solvent versus anion bridging and anion effects on the strength of ligand binding","CrystEngComm","2014","16","21","4587","","10.1039/c4ce00155a","","","0.71069","MoKα","","0.0367","0.0285","","","0.0923","0.1269","","","","","","1.209","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215194","7.5345","0.0003","19.1191","0.001","23.0434","0.0011","90","","92.045","0.001","90","","3317.4","0.3","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H27 Ag2 Cl2 N7 O11 -","- C28 H27 Ag2 Cl2 N7 O11 -","- C112 H108 Ag8 Cl8 N28 O44 -","4","1","","Patil, Komal M.; Cameron, Scott A.; Moratti, Stephen C.; Hanton, Lyall R.","Effect of anion on Ag(i) meso-helical chains formed with 4,4′-dipyridyl ketone: solvent versus anion bridging and anion effects on the strength of ligand binding","CrystEngComm","2014","16","21","4587","","10.1039/c4ce00155a","","","0.71073","MoKα","","0.062","0.0495","","","0.1094","0.1157","","","","","","1.069","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215195","7.8231","0.0005","18.8411","0.0011","22.8612","0.0013","90","","90.874","0.003","90","","3369.3","0.3","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 Ag2 Cl2 N7 O10 -","- C28 H25 Ag2 Cl2 N7 O10 -","- C112 H100 Ag8 Cl8 N28 O40 -","4","1","","Patil, Komal M.; Cameron, Scott A.; Moratti, Stephen C.; Hanton, Lyall R.","Effect of anion on Ag(i) meso-helical chains formed with 4,4′-dipyridyl ketone: solvent versus anion bridging and anion effects on the strength of ligand binding","CrystEngComm","2014","16","21","4587","","10.1039/c4ce00155a","","","0.71069","MoKα","","0.0838","0.0687","","","0.1704","0.1792","","","","","","1.066","","","","has coordinates,has disorder","180482","2020-10-21","18:00:00",""
"7215196","7.989","0.0005","22.9536","0.0015","20.1547","0.0015","90","","91.046","0.003","90","","3695.3","0.4","90","2","90","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 Ag2 F12 N8 O2 P2 -","- C30 H25 Ag2 F12 N8 O2 P2 -","- C120 H100 Ag8 F48 N32 O8 P8 -","4","1","","Patil, Komal M.; Cameron, Scott A.; Moratti, Stephen C.; Hanton, Lyall R.","Effect of anion on Ag(i) meso-helical chains formed with 4,4′-dipyridyl ketone: solvent versus anion bridging and anion effects on the strength of ligand binding","CrystEngComm","2014","16","21","4587","","10.1039/c4ce00155a","","","0.71073","MoKα","","0.0874","0.0694","","","0.2074","0.2414","","","","","","1.149","","","","has coordinates,has disorder","180482","2020-10-21","18:00:00",""
"7215197","27.5782","0.0015","10.6328","0.0005","18.6286","0.0009","90","","117.517","0.0017","90","","4844.6","0.4","90","2","90","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C46 H34 Ag2 F6 N8 O11 S2 -","- C46 H34 Ag2 F6 N8 O11 S2 -","- C184 H136 Ag8 F24 N32 O44 S8 -","4","0.5","","Patil, Komal M.; Cameron, Scott A.; Moratti, Stephen C.; Hanton, Lyall R.","Effect of anion on Ag(i) meso-helical chains formed with 4,4′-dipyridyl ketone: solvent versus anion bridging and anion effects on the strength of ligand binding","CrystEngComm","2014","16","21","4587","","10.1039/c4ce00155a","","","0.71069","MoKα","","0.0631","0.0596","","","0.1349","0.1368","","","","","","1.15","","","","has coordinates,has disorder","180482","2020-10-21","18:00:00",""
"7215198","11.02","0.011","18.3216","0.0017","10.7558","0.001","90","","93.782","0.004","90","","2167","2","90","2","90","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Ag B F4 N4 O2 -","- C22 H16 Ag B F4 N4 O2 -","- C88 H64 Ag4 B4 F16 N16 O8 -","4","1","","Patil, Komal M.; Cameron, Scott A.; Moratti, Stephen C.; Hanton, Lyall R.","Effect of anion on Ag(i) meso-helical chains formed with 4,4′-dipyridyl ketone: solvent versus anion bridging and anion effects on the strength of ligand binding","CrystEngComm","2014","16","21","4587","","10.1039/c4ce00155a","","","0.71073","MoKα","","0.0263","0.0221","","","0.0502","0.0559","","","","","","1.083","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215199","11.0709","0.0007","18.5174","0.0012","11.6388","0.0008","90","","96.473","0.003","90","","2370.8","0.3","90","2","90","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 Ag F6 N4 O2 P -","- C22 H16 Ag F6 N4 O2 P -","- C88 H64 Ag4 F24 N16 O8 P4 -","4","1","","Patil, Komal M.; Cameron, Scott A.; Moratti, Stephen C.; Hanton, Lyall R.","Effect of anion on Ag(i) meso-helical chains formed with 4,4′-dipyridyl ketone: solvent versus anion bridging and anion effects on the strength of ligand binding","CrystEngComm","2014","16","21","4587","","10.1039/c4ce00155a","","","0.71069","MoKα","","0.0368","0.034","","","0.0832","0.0846","","","","","","1.145","","","","has coordinates,has disorder","180482","2020-10-21","18:00:00",""
"7215200","10.95","0.007","11.1081","0.0007","12.1273","0.0009","85.248","0.002","86.205","0.003","83.68","0.003","1458.7","0.9","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H22 Ag F6 N6 O2 P -","- C26 H22 Ag F6 N6 O2 P -","- C52 H44 Ag2 F12 N12 O4 P2 -","2","1","","Patil, Komal M.; Cameron, Scott A.; Moratti, Stephen C.; Hanton, Lyall R.","Effect of anion on Ag(i) meso-helical chains formed with 4,4′-dipyridyl ketone: solvent versus anion bridging and anion effects on the strength of ligand binding","CrystEngComm","2014","16","21","4587","","10.1039/c4ce00155a","","","0.71069","MoKα","","0.0515","0.0446","","","0.1202","0.1247","","","","","","1.082","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215201","17.4704","0.0016","28.935","0.002","8.6998","0.0007","90","","113.244","0.002","90","","4040.8","0.6","296","2","296","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C32 H38 Cd N8 O6 P2 -","- C32 H38 Cd N8 O6 P2 -","- C128 H152 Cd4 N32 O24 P8 -","4","0.5","","Zhang, Jian-Wei; Zhao, Cui-Cui; Zhao, Yin-Ping; Xu, Hai-Qun; Du, Zi-Yi; Jiang, Hai-Long","Metal‒organic frameworks with improved moisture stability based on a phosphonate monoester: effect of auxiliary N-donor ligands on framework dimensionality","CrystEngComm","2014","16","29","6635","","10.1039/c4ce00655k","","","0.71073","MoKα","","0.0813","0.0533","","","0.1245","0.1369","","","","","","1.008","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215202","10.2738","0.0002","20.8895","0.0005","19.9247","0.0005","90","","97.822","0.002","90","","4236.34","0.17","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H49 Co N6 O14 P2 -","- C33 H33 Co N6 O14 P2 -","- C132 H132 Co4 N24 O56 P8 -","4","1","","Zhang, Jian-Wei; Zhao, Cui-Cui; Zhao, Yin-Ping; Xu, Hai-Qun; Du, Zi-Yi; Jiang, Hai-Long","Metal‒organic frameworks with improved moisture stability based on a phosphonate monoester: effect of auxiliary N-donor ligands on framework dimensionality","CrystEngComm","2014","16","29","6635","","10.1039/c4ce00655k","","","0.71073","MoKα","","0.1243","0.0677","","","0.1678","0.1988","","","","","","1.027","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215203","21.757","0.0003","14.2474","0.0002","14.6058","0.0002","90","","118.16","0.001","90","","3991.61","0.1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H34 Cd N6 O8 P2 -","- C33 H34 Cd N6 O8 P2 -","- C132 H136 Cd4 N24 O32 P8 -","4","0.5","","Zhang, Jian-Wei; Zhao, Cui-Cui; Zhao, Yin-Ping; Xu, Hai-Qun; Du, Zi-Yi; Jiang, Hai-Long","Metal‒organic frameworks with improved moisture stability based on a phosphonate monoester: effect of auxiliary N-donor ligands on framework dimensionality","CrystEngComm","2014","16","29","6635","","10.1039/c4ce00655k","","","0.71073","MoKα","","0.0497","0.0376","","","0.1003","0.1051","","","","","","1.049","","","","has coordinates,has disorder","180483","2020-10-21","18:00:00",""
"7215204","21.531","0.0004","14.105","0.0002","14.541","0.0002","90","","117.432","0.001","90","","3919.48","0.11","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H34 Co N6 O8 P2 -","- C33 H34 Co N6 O8 P2 -","- C132 H136 Co4 N24 O32 P8 -","4","0.5","","Zhang, Jian-Wei; Zhao, Cui-Cui; Zhao, Yin-Ping; Xu, Hai-Qun; Du, Zi-Yi; Jiang, Hai-Long","Metal‒organic frameworks with improved moisture stability based on a phosphonate monoester: effect of auxiliary N-donor ligands on framework dimensionality","CrystEngComm","2014","16","29","6635","","10.1039/c4ce00655k","","","0.71073","MoKα","","0.0738","0.0532","","","0.1408","0.15","","","","","","1.062","","","","has coordinates,has disorder","180483","2020-10-21","18:00:00",""
"7215205","21.6074","0.0006","14.0197","0.0004","14.471","0.0004","90","","117.832","0.002","90","","3876.6","0.2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H34 Cu N6 O8 P2 -","- C33 H34 Cu N6 O8 P2 -","- C132 H136 Cu4 N24 O32 P8 -","4","0.5","","Zhang, Jian-Wei; Zhao, Cui-Cui; Zhao, Yin-Ping; Xu, Hai-Qun; Du, Zi-Yi; Jiang, Hai-Long","Metal‒organic frameworks with improved moisture stability based on a phosphonate monoester: effect of auxiliary N-donor ligands on framework dimensionality","CrystEngComm","2014","16","29","6635","","10.1039/c4ce00655k","","","0.71073","MoKα","","0.1212","0.064","","","0.1284","0.1452","","","","","","0.995","","","","has coordinates,has disorder","180483","2020-10-21","18:00:00",""
"7215206","7.6515","0.0002","8.0147","0.0002","9.3307","0.0002","71.162","0.002","67.62","0.002","84.036","0.002","500.64","0.02","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H24 O6 P2 -","- C18 H24 O6 P2 -","- C18 H24 O6 P2 -","1","0.5","","Zhang, Jian-Wei; Zhao, Cui-Cui; Zhao, Yin-Ping; Xu, Hai-Qun; Du, Zi-Yi; Jiang, Hai-Long","Metal‒organic frameworks with improved moisture stability based on a phosphonate monoester: effect of auxiliary N-donor ligands on framework dimensionality","CrystEngComm","2014","16","29","6635","","10.1039/c4ce00655k","","","0.71073","MoKα","","0.0854","0.0518","","","0.1208","0.1383","","","","","","1.042","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215207","15.8384","0.0008","8.4589","0.0005","17.7369","0.0011","90","","96.493","0.002","90","","2361.1","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 O6 P2 -","- C22 H32 O6 P2 -","- C88 H128 O24 P8 -","4","1","","Zhang, Jian-Wei; Zhao, Cui-Cui; Zhao, Yin-Ping; Xu, Hai-Qun; Du, Zi-Yi; Jiang, Hai-Long","Metal‒organic frameworks with improved moisture stability based on a phosphonate monoester: effect of auxiliary N-donor ligands on framework dimensionality","CrystEngComm","2014","16","29","6635","","10.1039/c4ce00655k","","","0.71073","MoKα","","0.1295","0.0578","","","0.1142","0.1422","","","","","","1","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215208","8.9485","0.0004","13.0362","0.0006","13.095","0.0006","82.837","0.001","71.006","0.001","87.486","0.001","1433.13","0.11","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H34 Cd N4 O8 P2 -","- C25 H34 Cd N4 O8 P2 -","- C50 H68 Cd2 N8 O16 P4 -","2","1","","Zhang, Jian-Wei; Zhao, Cui-Cui; Zhao, Yin-Ping; Xu, Hai-Qun; Du, Zi-Yi; Jiang, Hai-Long","Metal‒organic frameworks with improved moisture stability based on a phosphonate monoester: effect of auxiliary N-donor ligands on framework dimensionality","CrystEngComm","2014","16","29","6635","","10.1039/c4ce00655k","","","0.71073","MoKα","","0.0326","0.0272","","","0.0709","0.0747","","","","","","1.035","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215209","21.576","0.0004","21.576","0.0004","8.9043","0.0004","90","","90","","120","","3589.82","0.19","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C3 H6 Cu N4 O4 -","- C3 H6 Cu N4 O4 -","- C54 H108 Cu18 N72 O72 -","18","1","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Lu, Kai-Hsiang","Impeller-like dodecameric water clusters in metal‒organic nanotubes","CrystEngComm","2014","16","25","5516","","10.1039/c3ce42087f","","","0.71073","MoKα","","0.0472","0.0359","","","0.1044","0.1117","","","","","","1.067","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215210","24.636","0.003","9.2458","0.0013","22.123","0.003","90","","90","","90","","5039.2","1.2","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","Coordination Polymer","","","- C20 H22 N8 O7 S3 Zn -","- C20 H22 N8 O7 S3 Zn -","- C160 H176 N64 O56 S24 Zn8 -","8","1","","Anantharaman, Ganapathi; Singh, Namita","Coordination Polymers Built with Transition Metal Sulphates and Angular 2,5-bis(imidazol-1-yl)thiophene (thim2): Synthesis, Structure and Photoluminescent Properties","CrystEngComm","2014","","","","","10.1039/c4ce00691g","","","0.71073","MoKα","","0.0495","0.042","","","0.1071","0.1141","","","","","","1.043","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215211","24.729","0.005","9.3762","0.0019","22.271","0.005","90","","90","","90","","5163.8","1.9","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","Coordination Polymer","","","- C20 H22 Mn N8 O7 S3 -","- C20 H22 Mn N8 O7 S3 -","- C160 H176 Mn8 N64 O56 S24 -","8","1","","Anantharaman, Ganapathi; Singh, Namita","Coordination Polymers Built with Transition Metal Sulphates and Angular 2,5-bis(imidazol-1-yl)thiophene (thim2): Synthesis, Structure and Photoluminescent Properties","CrystEngComm","2014","","","","","10.1039/c4ce00691g","","","0.71073","MoKα","","0.077","0.0481","","","0.1106","0.1308","","","","","","1.042","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215212","6.9658","0.0007","18.5806","0.0019","21.667","0.002","90","","90","","90","","2804.3","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Coordination Polymer","","","- C10 H8 Cd N4 O6 S2 -","- C10 H8 Cd N4 O6 S2 -","- C80 H64 Cd8 N32 O48 S16 -","8","1","","Anantharaman, Ganapathi; Singh, Namita","Coordination Polymers Built with Transition Metal Sulphates and Angular 2,5-bis(imidazol-1-yl)thiophene (thim2): Synthesis, Structure and Photoluminescent Properties","CrystEngComm","2014","","","","","10.1039/c4ce00691g","","","0.71073","MoKα","","0.0599","0.0484","","","0.1143","0.1316","","","","","","1.098","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215213","17.867","0.004","13.437","0.003","12.678","0.003","90","","92.95","0.03","90","","3039.7","1.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","coordination Polymer","","","- C20 H16 Co N8 O4 S3 -","- C20 H16 Co N8 O4 S3 -","- C80 H64 Co4 N32 O16 S12 -","4","0.5","","Anantharaman, Ganapathi; Singh, Namita","Coordination Polymers Built with Transition Metal Sulphates and Angular 2,5-bis(imidazol-1-yl)thiophene (thim2): Synthesis, Structure and Photoluminescent Properties","CrystEngComm","2014","","","","","10.1039/c4ce00691g","","","0.71073","MoKα","","0.0602","0.0493","","","0.1352","0.1659","","","","","","1.162","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215214","17.711","0.004","13.498","0.003","12.67","0.003","90","","92.83","0.03","90","","3025.2","1.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","coordination Polymer","","","- C20 H16 N8 Ni O4 S3 -","- C20 H16 N8 Ni O4 S3 -","- C80 H64 N32 Ni4 O16 S12 -","4","0.5","","Anantharaman, Ganapathi; Singh, Namita","Coordination Polymers Built with Transition Metal Sulphates and Angular 2,5-bis(imidazol-1-yl)thiophene (thim2): Synthesis, Structure and Photoluminescent Properties","CrystEngComm","2014","","","","","10.1039/c4ce00691g","","","0.71073","MoKα","","0.0691","0.0522","","","0.1496","0.1668","","","","","","1.127","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215215","17.537","0.004","12.938","0.003","13.328","0.003","90","","93.78","0.03","90","","3017.5","1.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","coordination Polymer","","","- C20 H16 Cu N8 O4 S3 -","- C20 H16 Cu N8 O4 S3 -","- C80 H64 Cu4 N32 O16 S12 -","4","0.5","","Anantharaman, Ganapathi; Singh, Namita","Coordination Polymers Built with Transition Metal Sulphates and Angular 2,5-bis(imidazol-1-yl)thiophene (thim2): Synthesis, Structure and Photoluminescent Properties","CrystEngComm","2014","","","","","10.1039/c4ce00691g","","","0.71073","MoKα","","0.075","0.0548","","","0.1456","0.176","","","","","","1.128","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215216","11.274","0.002","8.2761","0.0017","27.958","0.006","90","","95.47","0.03","90","","2596.7","0.9","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H7 N S4 -","- C13 H7 N S4 -","- C104 H56 N8 S32 -","8","2","","Hayward, John J.; Gumbau-Brisa, Roger; Alberola, Antonio; Clarke, Caroline S.; Rawson, Jeremy M.; Pilkington, Melanie","An unusual single-crystal-to-single-crystal [2 + 2] photocyclisation reaction of a TTF-arylnitrile derivative","CrystEngComm","2014","16","31","7268","","10.1039/C4CE00346B","","","0.71073","MoKα","","0.1039","0.0869","","","0.1718","0.1787","","","","","","1.26","","","","has coordinates,has disorder","180483","2020-10-21","18:00:00",""
"7215217","11.119","0.002","8.3345","0.0017","28.069","0.006","90","","95.85","0.03","90","","2587.6","0.9","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H14 N2 S8 -","- C26 H14 N2 S8 -","- C104 H56 N8 S32 -","4","1","","Hayward, John J.; Gumbau-Brisa, Roger; Alberola, Antonio; Clarke, Caroline S.; Rawson, Jeremy M.; Pilkington, Melanie","An unusual single-crystal-to-single-crystal [2 + 2] photocyclisation reaction of a TTF-arylnitrile derivative","CrystEngComm","2014","16","31","7268","","10.1039/C4CE00346B","","","0.71073","MoKα","","0.0491","0.0365","","","0.0745","0.0789","","","","","","1.076","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215218","3.9337","0.0004","11.3951","0.0009","27.644","0.002","90","","91.393","0.005","90","","1238.77","0.18","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H6 N2 S4 -","- C12 H6 N2 S4 -","- C48 H24 N8 S16 -","4","1","","Hayward, John J.; Gumbau-Brisa, Roger; Alberola, Antonio; Clarke, Caroline S.; Rawson, Jeremy M.; Pilkington, Melanie","An unusual single-crystal-to-single-crystal [2 + 2] photocyclisation reaction of a TTF-arylnitrile derivative","CrystEngComm","2014","16","31","7268","","10.1039/C4CE00346B","","","0.71073","MoKα","","0.0959","0.0849","","","0.2579","0.2704","","","","","","1.148","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215219","4.984","0.004","7.525","0.005","31.24","0.02","90","","92.611","0.01","90","","1170.4","1.4","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 O3 -","- C12 H18 O3 -","- C48 H72 O12 -","4","1","","Gubaidullin, Aidar T.; Samigullina, Aida I.; Bredikhina, Zemfira A.; Bredikhin, Alexander A.","Crystal structure of chiral ortho-alkyl phenyl ethers of glycerol: true racemic compound, normal, false and anomalous conglomerates within the single five-membered family","CrystEngComm","2014","16","29","6716","","10.1039/c4ce00519h","","","0.71073","MoKα","","0.0774","0.0471","","","0.0986","0.1124","","","","","","1.054","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215220","5.0871","0.0013","7.5857","0.0019","26.719","0.007","90","","90","","90","","1031.1","0.5","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H16 O3 -","- C11 H16 O3 -","- C44 H64 O12 -","4","1","","Gubaidullin, Aidar T.; Samigullina, Aida I.; Bredikhina, Zemfira A.; Bredikhin, Alexander A.","Crystal structure of chiral ortho-alkyl phenyl ethers of glycerol: true racemic compound, normal, false and anomalous conglomerates within the single five-membered family","CrystEngComm","2014","16","29","6716","","10.1039/c4ce00519h","","","0.71073","MoKα","","0.0563","0.0477","","","0.1128","0.1176","","","","","","1.051","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215221","5.0077","0.0009","30.877","0.006","7.4685","0.0014","90","","90.117","0.002","90","","1154.8","0.4","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H18 O3 -","- C12 H18 O3 -","- C48 H72 O12 -","4","2","","Gubaidullin, Aidar T.; Samigullina, Aida I.; Bredikhina, Zemfira A.; Bredikhin, Alexander A.","Crystal structure of chiral ortho-alkyl phenyl ethers of glycerol: true racemic compound, normal, false and anomalous conglomerates within the single five-membered family","CrystEngComm","2014","16","29","6716","","10.1039/c4ce00519h","","","0.71073","MoKα","","0.0616","0.0603","","","0.1569","0.1578","","","","","","1.104","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215222","14.756","0.01","14.756","0.01","4.819","0.004","90","","90","","120","","908.7","1.2","150","2","150","2","","","","","","","","3","P 32","P 32","145","","","","- C12 H18 O3 -","- C12 H18 O3 -","- C36 H54 O9 -","3","1","","Gubaidullin, Aidar T.; Samigullina, Aida I.; Bredikhina, Zemfira A.; Bredikhin, Alexander A.","Crystal structure of chiral ortho-alkyl phenyl ethers of glycerol: true racemic compound, normal, false and anomalous conglomerates within the single five-membered family","CrystEngComm","2014","16","29","6716","","10.1039/c4ce00519h","","","0.71073","MoKα","","0.0707","0.0517","","","0.1213","0.13","","","","","","1.053","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215223","16.149","0.002","17.459","0.002","8.1259","0.001","90","","90","","90","","2291.1","0.5","150","2","150","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C12 H18 O3 -","- C12 H18 O3 -","- C96 H144 O24 -","8","2","","Gubaidullin, Aidar T.; Samigullina, Aida I.; Bredikhina, Zemfira A.; Bredikhin, Alexander A.","Crystal structure of chiral ortho-alkyl phenyl ethers of glycerol: true racemic compound, normal, false and anomalous conglomerates within the single five-membered family","CrystEngComm","2014","16","29","6716","","10.1039/c4ce00519h","","","0.71073","MoKα","","0.0654","0.0434","","","0.1008","0.1143","","","","","","1.015","","","","has coordinates,has disorder","180483","2020-10-21","18:00:00",""
"7215224","15.383","0.0019","20.014","0.003","7.6027","0.0011","90","","90","","90","","2340.7","0.6","150","2","150","2","","","","","","","","3","I b a 2","I 2 -2c","45","","","","- C12 H18 O3 -","- C12 H18 O3 -","- C96 H144 O24 -","8","1","","Gubaidullin, Aidar T.; Samigullina, Aida I.; Bredikhina, Zemfira A.; Bredikhin, Alexander A.","Crystal structure of chiral ortho-alkyl phenyl ethers of glycerol: true racemic compound, normal, false and anomalous conglomerates within the single five-membered family","CrystEngComm","2014","16","29","6716","","10.1039/c4ce00519h","","","0.71073","MoKα","","0.0662","0.0468","","","0.099","0.1084","","","","","","1.057","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215225","18.8266","0.0005","18.8266","0.0005","25.4638","0.0017","90","","90","","90","","9025.4","0.7","173","","173","","","","","","","","","7","P 42/m n m","-P 4n 2n","136","","","","- C128 H201 Cl Mn4 N56 O24 Si2 -","- C56 H32 Cl Mn4 N32 O4 Si2 -","- C112 H64 Cl2 Mn8 N64 O8 Si4 -","2","0.125","","Timokhin, I.; White, A. J. P.; Lickiss, P. D.; Pettinari, C.; Davies, R. P.","Microporous metal‒organic frameworks built from rigid tetrahedral tetrakis(4-tetrazolylphenyl)silane connectors","CrystEngComm","2014","","","","","10.1039/c4ce00486h","","","1.54184","CuKα","","0.1311","0.0841","","","0.2599","0.2943","","","","","","1.029","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215226","36.7051","0.0015","36.7051","0.0015","36.7051","0.0015","90","","90","","90","","49451","4","173","","173","","","","","","","","","6","I a -3 d","-I 4bd 2c 3","230","","","","- C124 H240 Mn2 N48 O32 Si -","- C28 H16 Mn2 N16 O4 Si -","- C672 H384 Mn48 N384 O96 Si24 -","24","0.25","","Timokhin, I.; White, A. J. P.; Lickiss, P. D.; Pettinari, C.; Davies, R. P.","Microporous metal‒organic frameworks built from rigid tetrahedral tetrakis(4-tetrazolylphenyl)silane connectors","CrystEngComm","2014","","","","","10.1039/c4ce00486h","","","1.54184","CuKα","","0.2798","0.1447","","","0.3462","0.4057","","","","","","0.906","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215227","36.97447","0.00015","36.97447","0.00015","36.97447","0.00015","90","","90","","90","","50548.2","0.4","173","","173","","","","","","","","","6","I a -3 d","-I 4bd 2c 3","230","","","","- C88 H156 Cd2 N36 O20 Si -","- C40 H44 Cd2 N20 O4 Si -","- C960 H1056 Cd48 N480 O96 Si24 -","24","0.25","","Timokhin, I.; White, A. J. P.; Lickiss, P. D.; Pettinari, C.; Davies, R. P.","Microporous metal‒organic frameworks built from rigid tetrahedral tetrakis(4-tetrazolylphenyl)silane connectors","CrystEngComm","2014","","","","","10.1039/c4ce00486h","","","1.54184","CuKα","","0.0601","0.0528","","","0.1293","0.1348","","","","","","1.063","","","","has coordinates,has disorder","180483","2020-10-21","18:00:00",""
"7215228","36.1906","0.0018","36.1906","0.0018","36.1906","0.0018","90","","90","","90","","47401","4","100","2","100","2","","","","","","","","6","I a -3 d","-I 4bd 2c 3","230","","","","- C28 H16 Cu2 N16 O4 Si -","- C28 H16 Cu2 N16 O4 Si -","- C672 H384 Cu48 N384 O96 Si24 -","24","0.25","","Timokhin, I.; White, A. J. P.; Lickiss, P. D.; Pettinari, C.; Davies, R. P.","Microporous metal‒organic frameworks built from rigid tetrahedral tetrakis(4-tetrazolylphenyl)silane connectors","CrystEngComm","2014","","","","","10.1039/c4ce00486h","","","0.71075","MoKα","","0.2228","0.1359","","","0.371","0.4402","","","","","","1.107","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215230","12.761","0.003","14.961","0.003","17.532","0.006","90","","132.259","0.019","90","","2477.3","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 Cd N4 O4 -","- C27 H24 Cd N4 O4 -","- C108 H96 Cd4 N16 O16 -","4","1","","Li, Ming; Liu, Lu; Zhang, Lin; Lv, Xiaofeng; Ding, Jie; Hou, Hongwei; Fan, Yaoting","Novel coordination polymers of Zn(ii) and Cd(ii) tuned by different aromatic polycarboxylates: synthesis, structures and photocatalytic properties","CrystEngComm","2014","16","28","6408","","10.1039/c4ce00093e","","","0.71073","MoKα","","0.0476","0.0411","","","0.1337","0.1413","","","","","","1.002","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215231","9.4806","0.0019","18.127","0.004","18.693","0.004","61.88","0.03","83.98","0.03","86.35","0.03","2817.3","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H58 N8 O18 Zn3 -","- C56 H46 N8 O18 Zn3 -","- C112 H92 N16 O36 Zn6 -","2","1","","Li, Ming; Liu, Lu; Zhang, Lin; Lv, Xiaofeng; Ding, Jie; Hou, Hongwei; Fan, Yaoting","Novel coordination polymers of Zn(ii) and Cd(ii) tuned by different aromatic polycarboxylates: synthesis, structures and photocatalytic properties","CrystEngComm","2014","16","28","6408","","10.1039/c4ce00093e","","","0.71073","MoKα","","0.0782","0.0643","","","0.1982","0.2129","","","","","","1.032","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215232","12.156","0.002","18.59","0.004","21.024","0.004","74.05","0.03","75.94","0.03","75.58","0.03","4345.8","1.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C75 H74 Cd3 N12 O16 -","- C75 H66 Cd3 N12 O13 -","- C150 H132 Cd6 N24 O26 -","2","1","","Li, Ming; Liu, Lu; Zhang, Lin; Lv, Xiaofeng; Ding, Jie; Hou, Hongwei; Fan, Yaoting","Novel coordination polymers of Zn(ii) and Cd(ii) tuned by different aromatic polycarboxylates: synthesis, structures and photocatalytic properties","CrystEngComm","2014","16","28","6408","","10.1039/c4ce00093e","","","0.71073","MoKα","","0.0911","0.0685","","","0.195","0.2142","","","","","","0.999","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215233","11.65","0.002","15.49","0.003","17.108","0.006","90","","115.37","0.02","90","","2789.5","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 N4 O8 Zn2 -","- C28 H23 N4 O8 Zn2 -","- C112 H92 N16 O32 Zn8 -","4","1","","Li, Ming; Liu, Lu; Zhang, Lin; Lv, Xiaofeng; Ding, Jie; Hou, Hongwei; Fan, Yaoting","Novel coordination polymers of Zn(ii) and Cd(ii) tuned by different aromatic polycarboxylates: synthesis, structures and photocatalytic properties","CrystEngComm","2014","16","28","6408","","10.1039/c4ce00093e","","","0.71073","MoKα","","0.0929","0.0824","","","0.3068","0.3213","","","","","","1.05","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215234","9.4698","0.0019","11.079","0.002","11.161","0.002","77.45","0.03","78.01","0.03","85.11","0.03","1117.1","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H21 Cd N4 O4 -","- C24 H21 Cd N4 O4 -","- C48 H42 Cd2 N8 O8 -","2","1","","Li, Ming; Liu, Lu; Zhang, Lin; Lv, Xiaofeng; Ding, Jie; Hou, Hongwei; Fan, Yaoting","Novel coordination polymers of Zn(ii) and Cd(ii) tuned by different aromatic polycarboxylates: synthesis, structures and photocatalytic properties","CrystEngComm","2014","16","28","6408","","10.1039/c4ce00093e","","","0.71073","MoKα","","0.0746","0.0567","","","0.1407","0.1635","","","","","","0.959","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215235","12.005","0.002","18.834","0.004","16.723","0.006","90","","123.27","0.02","90","","3161.4","1.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H32 Cd N4 O8 S -","- C33 H28 Cd N4 O8 S -","- C132 H112 Cd4 N16 O32 S4 -","4","1","","Li, Ming; Liu, Lu; Zhang, Lin; Lv, Xiaofeng; Ding, Jie; Hou, Hongwei; Fan, Yaoting","Novel coordination polymers of Zn(ii) and Cd(ii) tuned by different aromatic polycarboxylates: synthesis, structures and photocatalytic properties","CrystEngComm","2014","16","28","6408","","10.1039/c4ce00093e","","","0.71073","MoKα","","0.0448","0.0419","","","0.1658","0.1716","","","","","","0.999","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215236","10.591","0.002","14.358","0.003","14.998","0.003","71.38","0.03","82.17","0.03","85.58","0.03","2139.8","0.8","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H33 Ag3 Cl3 N7 -","- C47 H33 Ag3 Cl3 N7 -","- C94 H66 Ag6 Cl6 N14 -","2","1","","Chen, Jing-Huo; Liu, Ya-Mei; Zhang, Jin-Xue; Zhu, Yan-Yan; Tang, Ming-Sheng; Ng, Seik Weng; Yang, Guang","Halogen-involving weak interactions manifested in the crystal structures of silver(i) or gold(i) 4-halogenated-3,5-diphenylpyrazolato trimers","CrystEngComm","2014","16","23","4987","","10.1039/c4ce00029c","","","0.71073","MoKα","","0.0424","0.0356","","","0.0823","0.0865","","","","","","1.11","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215237","9.6655","0.0009","20.3062","0.0016","24.3648","0.0019","90","","90","","90","","4782.1","0.7","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C47 H34 Ag3 Cl7 N6 -","- C47 H34 Ag3 Cl7 N6 -","- C188 H136 Ag12 Cl28 N24 -","4","1","","Chen, Jing-Huo; Liu, Ya-Mei; Zhang, Jin-Xue; Zhu, Yan-Yan; Tang, Ming-Sheng; Ng, Seik Weng; Yang, Guang","Halogen-involving weak interactions manifested in the crystal structures of silver(i) or gold(i) 4-halogenated-3,5-diphenylpyrazolato trimers","CrystEngComm","2014","16","23","4987","","10.1039/c4ce00029c","","","0.71073","MoKα","","0.1014","0.0631","","","0.099","0.1159","","","","","","1.041","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215238","9.681","0.002","20.34","0.005","23.673","0.005","90","","90","","90","","4661.5","1.8","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C52 H35 Ag3 Cl3 N7 -","- C52 H35 Ag3 Cl3 N7 -","- C208 H140 Ag12 Cl12 N28 -","4","1","","Chen, Jing-Huo; Liu, Ya-Mei; Zhang, Jin-Xue; Zhu, Yan-Yan; Tang, Ming-Sheng; Ng, Seik Weng; Yang, Guang","Halogen-involving weak interactions manifested in the crystal structures of silver(i) or gold(i) 4-halogenated-3,5-diphenylpyrazolato trimers","CrystEngComm","2014","16","23","4987","","10.1039/c4ce00029c","","","0.71073","MoKα","","0.0807","0.061","","","0.0679","0.0731","","","","","","1.074","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215239","14.337","0.003","29.013","0.006","10.568","0.002","90","","100.72","0.03","90","","4319.1","1.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H30 Ag3 I3 N6 -","- C45 H30 Ag3 I3 N6 -","- C180 H120 Ag12 I12 N24 -","4","1","","Chen, Jing-Huo; Liu, Ya-Mei; Zhang, Jin-Xue; Zhu, Yan-Yan; Tang, Ming-Sheng; Ng, Seik Weng; Yang, Guang","Halogen-involving weak interactions manifested in the crystal structures of silver(i) or gold(i) 4-halogenated-3,5-diphenylpyrazolato trimers","CrystEngComm","2014","16","23","4987","","10.1039/c4ce00029c","","","0.71073","MoKα","","0.0869","0.0615","","","0.1263","0.1428","","","","","","1.191","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215240","14.6187","0.0003","16.8833","0.0005","18.7304","0.0005","109.403","0.003","97.433","0.002","92.184","0.002","4307.4","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C48.5 H39.5 Ag3 Cl1.5 N6 -","- C48.5 H39.5 Ag3 Cl1.5 N6 -","- C194 H158 Ag12 Cl6 N24 -","4","2","","Chen, Jing-Huo; Liu, Ya-Mei; Zhang, Jin-Xue; Zhu, Yan-Yan; Tang, Ming-Sheng; Ng, Seik Weng; Yang, Guang","Halogen-involving weak interactions manifested in the crystal structures of silver(i) or gold(i) 4-halogenated-3,5-diphenylpyrazolato trimers","CrystEngComm","2014","16","23","4987","","10.1039/c4ce00029c","","","1.54178","CuKα","","0.0441","0.037","","","0.0918","0.0975","","","","","","1.02","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215241","29.9358","0.0006","17.05","0.0004","17.3679","0.0006","90","","98.081","0.002","90","","8776.6","0.4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H32 Au3 Cl5 N6 -","- C46 H32 Au3 Cl5 N6 -","- C368 H256 Au24 Cl40 N48 -","8","1","","Chen, Jing-Huo; Liu, Ya-Mei; Zhang, Jin-Xue; Zhu, Yan-Yan; Tang, Ming-Sheng; Ng, Seik Weng; Yang, Guang","Halogen-involving weak interactions manifested in the crystal structures of silver(i) or gold(i) 4-halogenated-3,5-diphenylpyrazolato trimers","CrystEngComm","2014","16","23","4987","","10.1039/c4ce00029c","","","0.71073","MoKα","","0.0681","0.041","","","0.06","0.067","","","","","","0.991","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215242","14.567","0.003","28.956","0.006","10.803","0.002","90","","102.74","0.03","90","","4444.5","1.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H30 Au3 I3 N6 -","- C45 H30 Au3 I3 N6 -","- C180 H120 Au12 I12 N24 -","4","1","","Chen, Jing-Huo; Liu, Ya-Mei; Zhang, Jin-Xue; Zhu, Yan-Yan; Tang, Ming-Sheng; Ng, Seik Weng; Yang, Guang","Halogen-involving weak interactions manifested in the crystal structures of silver(i) or gold(i) 4-halogenated-3,5-diphenylpyrazolato trimers","CrystEngComm","2014","16","23","4987","","10.1039/c4ce00029c","","","0.71073","MoKα","","0.1134","0.0938","","","0.2154","0.2296","","","","","","1.237","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215243","7.151","0.0001","24.8988","0.0004","28.6097","0.0004","90","","93.406","0.001","90","","5085","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ROD-8","","","- C49 H37 Cd2 N O12 -","- C47 H33 Cd2 N O11 -","- C188 H132 Cd8 N4 O44 -","4","1","","Li, Ru-Jin; Li, Mian; Zhou, Xiao-Ping; Ng, Seik Weng; O'Keeffe, Michael; Li, Dan","ROD-8, a rod MOF with a pyrene-cored tetracarboxylate linker: framework disorder, derived nets and selective gas adsorption","CrystEngComm","2014","16","28","6291","","10.1039/c4ce00279b","","","1.54178","CuKα","","0.0887","0.0523","","","0.1249","0.1429","","","","","","1.06","","","","has coordinates,has disorder","180483","2020-10-21","18:00:00",""
"7215244","9.2826","0.001","19.692","0.002","13.6649","0.0015","90","","108.704","0.005","90","","2365.9","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","BPTE Succinic Acid","1-(4-pyridyl)-2-(3-thienyl)ethylene butanedioic acid","","- C26 H24 N2 O4 S2 -","- C26 H24 N2 O4 S2 -","- C104 H96 N8 O16 S8 -","4","1","","Hutchins, Kristin M.; Sumrak, Joseph C.; Swenson, Dale C.; MacGillivray, Leonard R.","Head-to-tail photodimerization of a thiophene in a co-crystal and a rare adipic acid dimer in the presence of a heterosynthon","CrystEngComm","2014","16","26","5762","","10.1039/c4ce00481g","","","0.71073","MoKα","","0.1029","0.0591","","","0.1319","0.1523","","","","","","1.041","","","","has coordinates,has disorder","180483","2020-10-21","18:00:00",""
"7215245","11.6886","0.0012","15.1755","0.0015","12.1662","0.0012","90","","117.334","0.005","90","","1917.1","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4p3tc","rctt-1,3-bis(4-pyridyl)-2,4-bis(3-thienyl) cyclobutane","","- C22 H18 N2 S2 -","- C22 H18 N2 S2 -","- C88 H72 N8 S8 -","4","1","","Hutchins, Kristin M.; Sumrak, Joseph C.; Swenson, Dale C.; MacGillivray, Leonard R.","Head-to-tail photodimerization of a thiophene in a co-crystal and a rare adipic acid dimer in the presence of a heterosynthon","CrystEngComm","2014","16","26","5762","","10.1039/c4ce00481g","","","0.71073","MoKα","","0.0822","0.0443","","","0.1052","0.1268","","","","","","1.037","","","","has coordinates,has disorder","180483","2020-10-21","18:00:00",""
"7215246","15.935","0.0016","7.3782","0.0007","21.823","0.003","90","","100.382","0.005","90","","2523.8","0.5","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","BPTE Glutaric Acid","1-(4-pyridyl)-2-(3-thienyl)ethylene pentanedioic acid","","- C27 H26 N2 O4 S2 -","- C27 H26 N2 O4 S2 -","- C108 H104 N8 O16 S8 -","4","1","","Hutchins, Kristin M.; Sumrak, Joseph C.; Swenson, Dale C.; MacGillivray, Leonard R.","Head-to-tail photodimerization of a thiophene in a co-crystal and a rare adipic acid dimer in the presence of a heterosynthon","CrystEngComm","2014","16","26","5762","","10.1039/c4ce00481g","","","0.71073","MoKα","","0.0564","0.0408","","","0.096","0.1041","","","","","","1.055","","","","has coordinates,has disorder","180483","2020-10-21","18:00:00",""
"7215247","5.6534","0.0006","8.1587","0.0008","18.996","0.002","83.851","0.005","83.879","0.005","74.142","0.005","835.24","0.15","298","2","298","2","","","","","","","","5","P -1","-P 1","2","BPTE Adipic Acid","1-(4-pyridyl)-2-(3-thienyl)ethylene hexanedioic acid","","- C17 H19 N O4 S -","- C17 H19 N O4 S -","- C34 H38 N2 O8 S2 -","2","1","","Hutchins, Kristin M.; Sumrak, Joseph C.; Swenson, Dale C.; MacGillivray, Leonard R.","Head-to-tail photodimerization of a thiophene in a co-crystal and a rare adipic acid dimer in the presence of a heterosynthon","CrystEngComm","2014","16","26","5762","","10.1039/c4ce00481g","","","0.71073","MoKα","","0.1643","0.061","","","0.1012","0.1279","","","","","","0.967","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215248","23.1286","0.0007","9.4276","0.0003","23.3606","0.0007","90","","93.1691","0.0016","90","","5085.9","0.3","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H15 F3 I3 P Se -","- C24 H15 F3 I3 P Se -","- C192 H120 F24 I24 P8 Se8 -","8","2","","Viger-Gravel, Jasmine; Meyer, Julia E.; Korobkov, Ilia; Bryce, David L.","Probing halogen bonds with solid-state NMR spectroscopy: observation and interpretation of J(77Se,31P) coupling in halogen-bonded PSe⋯I motifs","CrystEngComm","2014","16","31","7285","","10.1039/C4CE00345D","","","0.71073","MoKα","","0.0379","0.0287","","","0.0641","0.0681","","","","","","1.017","","","","has coordinates","194155","2020-10-21","18:00:00",""
"7215249","13.7022","0.0003","12.7689","0.0003","13.9386","0.0003","90","","101.214","0.001","90","","2392.16","0.09","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H15 F4 I2 P Se -","- C24 H15 F4 I2 P Se -","- C96 H60 F16 I8 P4 Se4 -","4","1","","Viger-Gravel, Jasmine; Meyer, Julia E.; Korobkov, Ilia; Bryce, David L.","Probing halogen bonds with solid-state NMR spectroscopy: observation and interpretation of J(77Se,31P) coupling in halogen-bonded PSe⋯I motifs","CrystEngComm","2014","16","31","7285","","10.1039/C4CE00345D","","","0.71073","MoKα","","0.0179","0.0164","","","0.0416","0.0424","","","","","","1.049","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215250","12.243","0.0003","12.0173","0.0002","19.2931","0.0004","90","","101.549","0.001","90","","2781.08","0.1","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C26 H17 Br F3 N4 O7 Re S -","- C26 H17 Br F3 N4 O7 Re S -","- C104 H68 Br4 F12 N16 O28 Re4 S4 -","4","1","","Taylor, Rupert G. D.; Yeo, Benjamin R.; Hallett, Andrew J.; Kariuki, Benson M.; Pope, Simon J. A.","An organometallic complex revealing an unexpected, reversible, temperature induced SC‒SC transformation","CrystEngComm","2014","16","21","4641","","10.1039/c4ce00070f","","","0.71073","MoKα","","0.0551","0.041","","","0.0933","0.1005","","","","","","1.054","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215251","8.5187","0.0003","11.9891","0.0004","13.4341","0.0004","77.04","0.002","89.004","0.002","84.019","0.002","1329.79","0.08","210","2","210","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H17 F4 N4 O7 Re S -","- C26 H17 F4 N4 O7 Re S -","- C52 H34 F8 N8 O14 Re2 S2 -","2","1","","Taylor, Rupert G. D.; Yeo, Benjamin R.; Hallett, Andrew J.; Kariuki, Benson M.; Pope, Simon J. A.","An organometallic complex revealing an unexpected, reversible, temperature induced SC‒SC transformation","CrystEngComm","2014","16","21","4641","","10.1039/c4ce00070f","","","0.71073","MoKα","","0.047","0.0403","","","0.097","0.1017","","","","","","1.043","","","","has coordinates,has disorder","180483","2020-10-21","18:00:00",""
"7215252","10.0523","0.0002","11.6515","0.0004","13.0988","0.0004","69.74","0.001","78.794","0.002","82.263","0.002","1408.05","0.07","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C26 H17 F3 I N4 O7 Re S -","- C26 H17 F3 I N4 O7 Re S -","- C52 H34 F6 I2 N8 O14 Re2 S2 -","2","1","","Taylor, Rupert G. D.; Yeo, Benjamin R.; Hallett, Andrew J.; Kariuki, Benson M.; Pope, Simon J. A.","An organometallic complex revealing an unexpected, reversible, temperature induced SC‒SC transformation","CrystEngComm","2014","16","21","4641","","10.1039/c4ce00070f","","","0.71073","MoKα","","0.0375","0.0324","","","0.0716","0.0744","","","","","","1.046","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215253","20.461","0.0003","8.9968","0.0001","31.6923","0.0004","90","","104.268","0.001","90","","5654.07","0.13","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C26 H17 Br F3 N4 O7 Re S -","- C26 H17 Br F3 N4 O7 Re S -","- C208 H136 Br8 F24 N32 O56 Re8 S8 -","8","2","","Taylor, Rupert G. D.; Yeo, Benjamin R.; Hallett, Andrew J.; Kariuki, Benson M.; Pope, Simon J. A.","An organometallic complex revealing an unexpected, reversible, temperature induced SC‒SC transformation","CrystEngComm","2014","16","21","4641","","10.1039/c4ce00070f","","","0.71073","MoKα","","0.0564","0.0462","","","0.0886","0.0921","","","","","","1.156","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215254","10.8109","0.0004","11.2437","0.0004","13.6707","0.0005","109.009","0.002","91.179","0.002","117.018","0.002","1371.34","0.09","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C26 H17 Cl F3 N4 O7 Re S -","- C26 H17 Cl F3 N4 O7 Re S -","- C52 H34 Cl2 F6 N8 O14 Re2 S2 -","2","1","","Taylor, Rupert G. D.; Yeo, Benjamin R.; Hallett, Andrew J.; Kariuki, Benson M.; Pope, Simon J. A.","An organometallic complex revealing an unexpected, reversible, temperature induced SC‒SC transformation","CrystEngComm","2014","16","21","4641","","10.1039/c4ce00070f","","","0.71073","MoKα","","0.0872","0.059","","","0.1118","0.1228","","","","","","1.053","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215255","8.3032","0.0003","18.0645","0.0005","18.8024","0.0007","90","","96.999","0.001","90","","2799.22","0.16","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H17 F4 N4 O7 Re S -","- C26 H17 F4 N4 O7 Re S -","- C104 H68 F16 N16 O28 Re4 S4 -","4","1","","Taylor, Rupert G. D.; Yeo, Benjamin R.; Hallett, Andrew J.; Kariuki, Benson M.; Pope, Simon J. A.","An organometallic complex revealing an unexpected, reversible, temperature induced SC‒SC transformation","CrystEngComm","2014","16","21","4641","","10.1039/c4ce00070f","","","0.71073","MoKα","","0.1082","0.0572","","","0.0935","0.1096","","","","","","1.042","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215256","9.305","0.0003","18.728","0.0008","17.282","0.0006","90","","101.354","0.002","90","","2952.69","0.19","294","2","294","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C26 H17 F3 I N4 O7 Re S -","- C26 H17 F3 I N4 O7 Re S -","- C104 H68 F12 I4 N16 O28 Re4 S4 -","4","1","","Taylor, Rupert G. D.; Yeo, Benjamin R.; Hallett, Andrew J.; Kariuki, Benson M.; Pope, Simon J. A.","An organometallic complex revealing an unexpected, reversible, temperature induced SC‒SC transformation","CrystEngComm","2014","16","21","4641","","10.1039/c4ce00070f","","","0.71073","MoKα","","0.1073","0.0607","","","0.1403","0.1706","","","","","","1.055","","","","has coordinates,has disorder","180483","2020-10-21","18:00:00",""
"7215257","8.563","0.0008","20.396","0.002","16.227","0.0018","90","","94.112","0.007","90","","2826.8","0.5","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C26 H17 F3 I N4 O7 Re S -","- C26 H17 F3 I N4 O7 Re S -","- C104 H68 F12 I4 N16 O28 Re4 S4 -","4","1","","Taylor, Rupert G. D.; Yeo, Benjamin R.; Hallett, Andrew J.; Kariuki, Benson M.; Pope, Simon J. A.","An organometallic complex revealing an unexpected, reversible, temperature induced SC‒SC transformation","CrystEngComm","2014","16","21","4641","","10.1039/c4ce00070f","","","0.71073","MoKα","","0.1056","0.0732","","","0.1676","0.1852","","","","","","1.051","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215258","11.4748","0.0007","26.9371","0.0018","23.6378","0.0013","90","","96.295","0.003","90","","7262.3","0.8","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C58 H48 F6 N10 O15 Re2 S2 -","- C58 H45 F6 N10 O15 Re2 S2 -","- C232 H180 F24 N40 O60 Re8 S8 -","4","1","","Taylor, Rupert G. D.; Yeo, Benjamin R.; Hallett, Andrew J.; Kariuki, Benson M.; Pope, Simon J. A.","An organometallic complex revealing an unexpected, reversible, temperature induced SC‒SC transformation","CrystEngComm","2014","16","21","4641","","10.1039/c4ce00070f","","","0.71073","MoKα","","0.1783","0.0897","","","0.2165","0.2757","","","","","","1.058","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215259","12.1162","0.001","27.444","0.003","19.0654","0.0016","90","","99.666","0.004","90","","6249.6","1","150","2","150","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C54 H42 F6 N8 O15 Re2 S2 -","- C54 H40 F6 N8 O15 Re2 S2 -","- C216 H160 F24 N32 O60 Re8 S8 -","4","1","","Taylor, Rupert G. D.; Yeo, Benjamin R.; Hallett, Andrew J.; Kariuki, Benson M.; Pope, Simon J. A.","An organometallic complex revealing an unexpected, reversible, temperature induced SC‒SC transformation","CrystEngComm","2014","16","21","4641","","10.1039/c4ce00070f","","","0.71073","MoKα","","0.2588","0.1206","","","0.23","0.2559","","","","","","0.775","","","","has coordinates,has disorder","180483","2020-10-21","18:00:00",""
"7215260","12.8722","0.0004","4.9256","0.0002","17.571","0.0005","90","","104.327","0.002","90","","1079.41","0.06","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C12 H9 Br N2 O -","- C12 H9 Br N2 O -","- C48 H36 Br4 N8 O4 -","4","1","","Taylor, Rupert G. D.; Yeo, Benjamin R.; Hallett, Andrew J.; Kariuki, Benson M.; Pope, Simon J. A.","An organometallic complex revealing an unexpected, reversible, temperature induced SC‒SC transformation","CrystEngComm","2014","16","21","4641","","10.1039/c4ce00070f","","","0.71073","MoKα","","0.0442","0.0355","","","0.0815","0.0861","","","","","","1.031","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215261","10.8408","0.0005","21.2412","0.0011","4.8537","0.0002","90","","90","","90","","1117.67","0.09","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H9 I N2 O -","- C12 H9 I N2 O -","- C48 H36 I4 N8 O4 -","4","1","","Taylor, Rupert G. D.; Yeo, Benjamin R.; Hallett, Andrew J.; Kariuki, Benson M.; Pope, Simon J. A.","An organometallic complex revealing an unexpected, reversible, temperature induced SC‒SC transformation","CrystEngComm","2014","16","21","4641","","10.1039/c4ce00070f","","","0.71073","MoKα","","0.0431","0.0341","","","0.0731","0.0782","","","","","","1.054","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215262","10.512","0.0012","4.8327","0.0006","21.187","0.002","90","","101.264","0.007","90","","1055.6","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Taylor, Rupert G. D.; Yeo, Benjamin R.; Hallett, Andrew J.; Kariuki, Benson M.; Pope, Simon J. A.","An organometallic complex revealing an unexpected, reversible, temperature induced SC‒SC transformation","CrystEngComm","2014","16","21","4641","","10.1039/c4ce00070f","","","0.71073","MoKα","","0.2443","0.0919","","","0.146","0.192","","","","","","0.979","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215263","9.8494","0.0018","3.8718","0.0007","13.972","0.002","90","","96.018","0.01","90","","529.88","0.16","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H9 Br N2 O -","- C12 H9 Br N2 O -","- C24 H18 Br2 N4 O2 -","2","1","","Taylor, Rupert G. D.; Yeo, Benjamin R.; Hallett, Andrew J.; Kariuki, Benson M.; Pope, Simon J. A.","An organometallic complex revealing an unexpected, reversible, temperature induced SC‒SC transformation","CrystEngComm","2014","16","21","4641","","10.1039/c4ce00070f","","","0.71073","MoKα","","0.0908","0.0806","","","0.1669","0.1746","","","","","","1.163","","","","has coordinates,has disorder","180483","2020-10-21","18:00:00",""
"7215264","17.4918","0.0003","10.4582","0.0002","14.8252","0.0003","90","","97.197","0.001","90","","2690.65","0.09","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H27 Co N6 O2 -","- C33 H27 Co N6 O2 -","- C132 H108 Co4 N24 O8 -","4","0.5","","Béziau, Antoine; Baudron, Stéphane A.; Rasoloarison, Dimby; Hosseini, Mir Wais","Rigid yet flexible heteroleptic Co(iii) dipyrrin complexes for the construction of heterometallic 1- and 2-D coordination polymers","CrystEngComm","2014","16","23","4973","","10.1039/c4ce00273c","","","0.71073","MoKα","","0.0365","0.0326","","","0.0866","0.0899","","","","","","0.897","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215265","10.0207","0.0001","10.1954","0.0001","15.5113","0.0002","106.449","0.001","92.122","0.001","103.141","0.001","1471.3","0.03","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H21 Co F6 N6 O2 -","- C33 H21 Co F6 N6 O2 -","- C66 H42 Co2 F12 N12 O4 -","2","1","","Béziau, Antoine; Baudron, Stéphane A.; Rasoloarison, Dimby; Hosseini, Mir Wais","Rigid yet flexible heteroleptic Co(iii) dipyrrin complexes for the construction of heterometallic 1- and 2-D coordination polymers","CrystEngComm","2014","16","23","4973","","10.1039/c4ce00273c","","","0.71073","MoKα","","0.0654","0.0463","","","0.113","0.124","","","","","","1.04","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215266","13.2927","0.0015","14.5956","0.0016","17.1232","0.0017","90","","90","","90","","3322.2","0.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H35 Co N6 O3 -","- C37 H35 Co N6 O3 -","- C148 H140 Co4 N24 O12 -","4","1","","Béziau, Antoine; Baudron, Stéphane A.; Rasoloarison, Dimby; Hosseini, Mir Wais","Rigid yet flexible heteroleptic Co(iii) dipyrrin complexes for the construction of heterometallic 1- and 2-D coordination polymers","CrystEngComm","2014","16","23","4973","","10.1039/c4ce00273c","","","0.71073","MoKα","","0.0735","0.0416","","","0.0991","0.1147","","","","","","1.039","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215267","13.3859","0.0005","13.508","0.0005","17.1308","0.0007","90","","96.215","0.002","90","","3079.3","0.2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H21 Co F6 N6 O2 -","- C33 H21 Co F6 N6 O2 -","- C132 H84 Co4 F24 N24 O8 -","4","0.5","","Béziau, Antoine; Baudron, Stéphane A.; Rasoloarison, Dimby; Hosseini, Mir Wais","Rigid yet flexible heteroleptic Co(iii) dipyrrin complexes for the construction of heterometallic 1- and 2-D coordination polymers","CrystEngComm","2014","16","23","4973","","10.1039/c4ce00273c","","","0.71073","MoKα","","0.0743","0.0598","","","0.1441","0.1569","","","","","","1.043","","","","has coordinates,has disorder","180483","2020-10-21","18:00:00",""
"7215268","9.4261","0.0002","13.4558","0.0002","13.9409","0.0002","106.57","0.001","106.717","0.001","98.302","0.001","1573","0.05","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H62 Cd Cl2 Co2 N12 O6 -","- C68 H62 Cd Cl2 Co2 N12 O6 -","- C68 H62 Cd Cl2 Co2 N12 O6 -","1","0.5","","Béziau, Antoine; Baudron, Stéphane A.; Rasoloarison, Dimby; Hosseini, Mir Wais","Rigid yet flexible heteroleptic Co(iii) dipyrrin complexes for the construction of heterometallic 1- and 2-D coordination polymers","CrystEngComm","2014","16","23","4973","","10.1039/c4ce00273c","","","0.71073","MoKα","","0.0389","0.0322","","","0.0841","0.0885","","","","","","1.057","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215269","8.7796","0.0004","16.0109","0.0007","25.1541","0.0011","83.011","0.002","82.318","0.002","79.518","0.002","3428.4","0.3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C69 H49 Cd Cl2 Co2 F12 N13 O5 -","- C69 H49 Cd Cl2 Co2 F12 N13 O5 -","- C138 H98 Cd2 Cl4 Co4 F24 N26 O10 -","2","1","","Béziau, Antoine; Baudron, Stéphane A.; Rasoloarison, Dimby; Hosseini, Mir Wais","Rigid yet flexible heteroleptic Co(iii) dipyrrin complexes for the construction of heterometallic 1- and 2-D coordination polymers","CrystEngComm","2014","16","23","4973","","10.1039/c4ce00273c","","","0.71073","MoKα","","0.1146","0.0788","","","0.1975","0.2165","","","","","","1.103","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215270","21.3913","0.0005","14.0119","0.0003","26.0194","0.0007","90","","97.703","0.001","90","","7728.5","0.3","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C69 H61 Cd Cl2 Co2 N13 O5 -","- C69 H61 Cd Cl2 Co2 N13 O5 -","- C276 H244 Cd4 Cl8 Co8 N52 O20 -","4","1","","Béziau, Antoine; Baudron, Stéphane A.; Rasoloarison, Dimby; Hosseini, Mir Wais","Rigid yet flexible heteroleptic Co(iii) dipyrrin complexes for the construction of heterometallic 1- and 2-D coordination polymers","CrystEngComm","2014","16","23","4973","","10.1039/c4ce00273c","","","0.71073","MoKα","","0.098","0.0592","","","0.1615","0.175","","","","","","1.032","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215271","23.1158","0.0007","25.2786","0.0008","15.2033","0.0005","90","","100.685","0.001","90","","8729.8","0.5","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C66 H42 Cd Cl2 Co2 F12 N12 O4 -","- C66 H42 Cd Cl2 Co2 F12 N12 O4 -","- C264 H168 Cd4 Cl8 Co8 F48 N48 O16 -","4","0.5","","Béziau, Antoine; Baudron, Stéphane A.; Rasoloarison, Dimby; Hosseini, Mir Wais","Rigid yet flexible heteroleptic Co(iii) dipyrrin complexes for the construction of heterometallic 1- and 2-D coordination polymers","CrystEngComm","2014","16","23","4973","","10.1039/c4ce00273c","","","0.71073","MoKα","","0.0554","0.0402","","","0.1182","0.1231","","","","","","1.129","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215272","12.1312","0.0006","17.8056","0.0008","22.2981","0.001","102.464","0.002","105.322","0.002","94.702","0.002","4486.1","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C166 H194 Br10 Cd5 Co4 N34 O22 -","- C166 H194 Br10 Cd5 Co4 N34 O22 -","- C166 H194 Br10 Cd5 Co4 N34 O22 -","1","0.5","","Béziau, Antoine; Baudron, Stéphane A.; Rasoloarison, Dimby; Hosseini, Mir Wais","Rigid yet flexible heteroleptic Co(iii) dipyrrin complexes for the construction of heterometallic 1- and 2-D coordination polymers","CrystEngComm","2014","16","23","4973","","10.1039/c4ce00273c","","","0.71073","MoKα","","0.1093","0.0529","","","0.1216","0.1409","","","","","","1.039","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215273","11.3197","0.0005","16.7537","0.0009","24.2708","0.0013","99.224","0.002","102.917","0.002","94.544","0.002","4396.6","0.4","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C156 H146 Cd5 Cl10 Co4 F24 N26 O16 -","- C156 H146 Cd5 Cl10 Co4 F24 N26 O16 -","- C156 H146 Cd5 Cl10 Co4 F24 N26 O16 -","1","0.5","","Béziau, Antoine; Baudron, Stéphane A.; Rasoloarison, Dimby; Hosseini, Mir Wais","Rigid yet flexible heteroleptic Co(iii) dipyrrin complexes for the construction of heterometallic 1- and 2-D coordination polymers","CrystEngComm","2014","16","23","4973","","10.1039/c4ce00273c","","","0.71073","MoKα","","0.0877","0.0606","","","0.1524","0.1615","","","","","","1.048","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215281","10.869","0.005","12.13","0.005","13.783","0.004","90","","117.75","0.02","90","","1608.2","1.1","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 Mn N2 O6 -","- C14 H16 Mn N2 O6 -","- C56 H64 Mn4 N8 O24 -","4","1","","Matoga, Dariusz; Gil, Barbara; Nitek, Wojciech; Todd, Alexander D.; Bielawski, Christopher W.","Dynamic 2D manganese(ii) isonicotinate framework with reversible crystal-to-amorphous transformation and selective guest adsorption","CrystEngComm","2014","16","23","4959","","10.1039/c4ce00647j","","x-ray","1.5418","CuKα","","0.0366","0.0329","","","0.0832","0.0867","","","","","","0.901","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215282","19.9588","0.0008","19.9588","0.0008","7.6768","0.0004","90","","90","","120","","2648.4","0.2","296","2","296","2","","","","","","","","6","P 3 c 1","P 3 -2""c","158","JA81","","","- C2 H5 Br Cu N S -","- C2 H5 Br Cu N S -","- C36 H90 Br18 Cu18 N18 S18 -","18","3","","Troyano, J.; Perles, J.; Amo-Ochoa, P.; Martínez, J. I.; Zamora, F.; Delgado, S.","Reversible recrystallization process of copper and silver thioacetamide‒halide coordination polymers and their basic building blocks","CrystEngComm","2014","16","35","8224","","10.1039/C4CE00480A","","","0.71073","","","0.0412","0.0295","","","0.0842","0.1004","","","","","","1.003","","","","has coordinates,has disorder","180483","2020-10-21","18:00:00",""
"7215283","11.7896","0.0002","11.7896","0.0002","8.1509","0.0001","90","","90","","120","","981.15","0.03","296","2","296","2","","","","","","","","6","P 3 1 c","P 3 -2c","159","JA100","","","- C2 H5 Cu I N S -","- C2 H5 Cu I N S -","- C12 H30 Cu6 I6 N6 S6 -","6","1","","Troyano, J.; Perles, J.; Amo-Ochoa, P.; Martínez, J. I.; Zamora, F.; Delgado, S.","Reversible recrystallization process of copper and silver thioacetamide‒halide coordination polymers and their basic building blocks","CrystEngComm","2014","16","35","8224","","10.1039/C4CE00480A","","","0.71073","","","0.0605","0.0311","","","0.0862","0.1109","","","","","","1.005","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215284","8.8371","0.0003","8.4068","0.0002","7.4343","0.0002","90","","90","","90","","552.31","0.03","296","2","296","2","","","","","","","","6","P b c m","-P 2c 2b","57","AgTAA","","","- C2 H5 Ag Cl N S -","- C2 H5 Ag Cl N S -","- C8 H20 Ag4 Cl4 N4 S4 -","4","0.5","","Troyano, J.; Perles, J.; Amo-Ochoa, P.; Martínez, J. I.; Zamora, F.; Delgado, S.","Reversible recrystallization process of copper and silver thioacetamide‒halide coordination polymers and their basic building blocks","CrystEngComm","2014","16","35","8224","","10.1039/C4CE00480A","","","0.71073","","","0.0391","0.0296","","","0.072","0.0785","","","","","","1","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215285","8.9917","0.0002","8.4982","0.0002","7.7639","0.0002","90","","90","","90","","593.26","0.02","296","2","296","2","","","","","","","","6","P b c m","-P 2c 2b","57","AgBrTAA_py","","","- C2 H5 Ag Br N S -","- C2 H5 Ag Br N S -","- C8 H20 Ag4 Br4 N4 S4 -","4","0.5","","Troyano, J.; Perles, J.; Amo-Ochoa, P.; Martínez, J. I.; Zamora, F.; Delgado, S.","Reversible recrystallization process of copper and silver thioacetamide‒halide coordination polymers and their basic building blocks","CrystEngComm","2014","16","35","8224","","10.1039/C4CE00480A","","","0.71073","","","0.0345","0.0285","","","0.0738","0.0767","","","","","","1","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215286","4.0277","0.0002","6.3237","0.0006","14.0649","0.0014","97.11","0.008","91.015","0.006","100.632","0.007","349.07","0.05","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H6 B F O2 -","- C7 H6 B F O2 -","- C14 H12 B2 F2 O4 -","2","1","","Sene, Saad; Berthomieu, Dorothée; Donnadieu, Bruno; Richeter, Sébastien; Vezzani, Joris; Granier, Dominique; Bégu, Sylvie; Mutin, Hubert; Gervais, Christel; Laurencin, Danielle","A combined experimental-computational study of benzoxaborole crystal structures","CrystEngComm","2014","16","23","4999","","10.1039/c4ce00313f","","","0.71073","MoKα","","0.048","0.037","","","0.0906","0.0975","","","","","","1.043","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215287","24.6035","0.0005","11.9649","0.0003","18.4269","0.0004","90","","114.571","0.001","90","","4933.3","0.2","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H38 Cd N8 O10 -","- C46 H38 Cd N8 O10 -","- C184 H152 Cd4 N32 O40 -","4","0.5","","Singh, Udai P.; Narang, Shikha; Pachfule, Pradip; Banerjee, Rahul","Variation of CO2 adsorption in isostructural Cd(ii)/Co(ii) based MOFs by anion modulation","CrystEngComm","2014","16","23","5012","","10.1039/c4ce00058g","","","0.71073","MoKα","","0.0577","0.0483","","","0.1441","0.1508","","","","","","1.087","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215288","24.665","0.002","11.9542","0.0011","17.8777","0.0018","90","","112.764","0.004","90","","4860.6","0.8","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H38 Br2 Cd N6 O4 -","- C46 H38 Br2 Cd N6 O4 -","- C184 H152 Br8 Cd4 N24 O16 -","4","0.5","","Singh, Udai P.; Narang, Shikha; Pachfule, Pradip; Banerjee, Rahul","Variation of CO2 adsorption in isostructural Cd(ii)/Co(ii) based MOFs by anion modulation","CrystEngComm","2014","16","23","5012","","10.1039/c4ce00058g","","","0.71073","MoKα","","0.0562","0.0397","","","0.1292","0.1388","","","","","","0.967","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215289","25.611","0.0007","11.5667","0.0003","18.5397","0.0006","90","","114.345","0.001","90","","5003.7","0.3","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H38 Cd I2 N6 O4 -","- C46 H38 Cd I2 N6 O4 -","- C184 H152 Cd4 I8 N24 O16 -","4","0.5","","Singh, Udai P.; Narang, Shikha; Pachfule, Pradip; Banerjee, Rahul","Variation of CO2 adsorption in isostructural Cd(ii)/Co(ii) based MOFs by anion modulation","CrystEngComm","2014","16","23","5012","","10.1039/c4ce00058g","","","0.71073","MoKα","","0.0406","0.0311","","","0.1106","0.1178","","","","","","0.809","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215290","24.4845","0.0018","11.8901","0.0008","18.1106","0.0013","90","","114.564","0.004","90","","4795.2","0.6","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H38 Cl2 Co N6 O4 -","- C46 H38 Cl2 Co N6 O4 -","- C184 H152 Cl8 Co4 N24 O16 -","4","0.5","","Singh, Udai P.; Narang, Shikha; Pachfule, Pradip; Banerjee, Rahul","Variation of CO2 adsorption in isostructural Cd(ii)/Co(ii) based MOFs by anion modulation","CrystEngComm","2014","16","23","5012","","10.1039/c4ce00058g","","","0.71073","MoKα","","0.1181","0.0731","","","0.215","0.2277","","","","","","1.33","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215291","9.4682","0.0014","10.4331","0.0017","10.7425","0.0017","67.349","0.009","73.251","0.009","85.916","0.009","936.8","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H19 N3 O2 -","- C23 H19 N3 O2 -","- C46 H38 N6 O4 -","2","1","","Singh, Udai P.; Narang, Shikha; Pachfule, Pradip; Banerjee, Rahul","Variation of CO2 adsorption in isostructural Cd(ii)/Co(ii) based MOFs by anion modulation","CrystEngComm","2014","16","23","5012","","10.1039/c4ce00058g","","","0.71073","MoKα","","0.0751","0.0457","","","0.1282","0.1539","","","","","","0.912","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215293","10.373","0.006","11.875","0.007","15.088","0.009","93.108","0.007","104.184","0.005","105.905","0.006","1718.1","1.8","93","2","93","2","","","","","","","","6","P -1","-P 1","2","Zn_NDI_CID","Zn_NDI_CID","","- C30 H14 N4 O8 S Zn -","- C30 H14 N4 O8 S Zn -","- C60 H28 N8 O16 S2 Zn2 -","2","1","","Takashima, Yohei; Furukawa, Shuhei; Kitagawa, Susumu","Control of the charge-transfer interaction between a flexible porous coordination host and aromatic guests by framework isomerism","CrystEngComm","2011","13","10","3360","","10.1039/c1ce05201b","","","0.71075","MoKα","","0.0972","0.0757","","","0.2074","0.2183","","","","","","1.02","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215294","17.615","0.005","16.644","0.005","19.66","0.005","90","0.005","91.89","0.005","90","0.005","5761","3","223","2","223","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C30 H14 N4 O8 S Zn -","- C30 H14 N4 O8 S Zn -","- C120 H56 N16 O32 S4 Zn4 -","4","1","","Takashima, Yohei; Furukawa, Shuhei; Kitagawa, Susumu","Control of the charge-transfer interaction between a flexible porous coordination host and aromatic guests by framework isomerism","CrystEngComm","2011","13","10","3360","","10.1039/c1ce05201b","","","0.71073","MoKα","","0.0887","0.0643","","","0.1819","0.1911","","","","","","0.88","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215295","7.2013","0.0016","7.3815","0.0016","11.328","0.002","77.121","0.003","77.612","0.002","75.969","0.003","561.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","4-(1-H-imidaozol-1-yl)benzoic Acid","","","- C10 H11 Cl N2 O3 -","- C10 H9 Cl N2 O3 -","- C20 H18 Cl2 N4 O6 -","2","1","","Cui, Ke-Hui; Yao, Shi-Yan; Li, Hai-Qin; Li, Yan-Tao; Zhao, Hai-Ping; Jiang, Chun-Jie; Tian, Yun-Qi","Acentric and chiral four-connected metal‒organic frameworks based on the racemic binaphthol-like chiral ligand of 4-(1-H(or methyl)-imidaozol-1-yl)benzoic acid","CrystEngComm","2011","13","10","3432","","10.1039/c0ce00789g","","","0.71073","MoKα","","0.0925","0.0731","","","0.2171","0.2427","","","","","","1.056","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215296","14.465","0.008","7.83","0.004","11.406","0.006","90","","111.139","0.006","90","","1204.9","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-(1-Methyl-imidaozol-1-yl)benzoic Acid","","","- C11 H13 Cl N2 O3 -","- C11 H11 Cl N2 O3 -","- C44 H44 Cl4 N8 O12 -","4","1","","Cui, Ke-Hui; Yao, Shi-Yan; Li, Hai-Qin; Li, Yan-Tao; Zhao, Hai-Ping; Jiang, Chun-Jie; Tian, Yun-Qi","Acentric and chiral four-connected metal‒organic frameworks based on the racemic binaphthol-like chiral ligand of 4-(1-H(or methyl)-imidaozol-1-yl)benzoic acid","CrystEngComm","2011","13","10","3432","","10.1039/c0ce00789g","","","0.71073","MoKα","","0.0927","0.0522","","","0.1393","0.1654","","","","","","1.037","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215297","8.0674","0.0004","8.0674","0.0004","28.0367","0.0006","90","","90","","90","","1824.71","0.13","293","2","293","2","","","","","","","","5","P 43 2 2","P 4cw 2c","95","","","","- C20 H14 N4 O4 Zn -","- C20 H14 N4 O4 Zn -","- C80 H56 N16 O16 Zn4 -","4","0.5","","Cui, Ke-Hui; Yao, Shi-Yan; Li, Hai-Qin; Li, Yan-Tao; Zhao, Hai-Ping; Jiang, Chun-Jie; Tian, Yun-Qi","Acentric and chiral four-connected metal‒organic frameworks based on the racemic binaphthol-like chiral ligand of 4-(1-H(or methyl)-imidaozol-1-yl)benzoic acid","CrystEngComm","2011","13","10","3432","","10.1039/c0ce00789g","","","0.71073","MoKα","","0.0706","0.0435","","","0.1008","0.1141","","","","","","1.007","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215298","8.0814","0.0003","8.0814","0.0003","28.0836","0.0004","90","","90","","90","","1834.11","0.1","293","2","293","2","","","","","","","","5","P 41 2 2","P 4w 2c","91","","","","- C20 H14 Co N4 O4 -","- C20 H14 Co N4 O4 -","- C80 H56 Co4 N16 O16 -","4","0.5","","Cui, Ke-Hui; Yao, Shi-Yan; Li, Hai-Qin; Li, Yan-Tao; Zhao, Hai-Ping; Jiang, Chun-Jie; Tian, Yun-Qi","Acentric and chiral four-connected metal‒organic frameworks based on the racemic binaphthol-like chiral ligand of 4-(1-H(or methyl)-imidaozol-1-yl)benzoic acid","CrystEngComm","2011","13","10","3432","","10.1039/c0ce00789g","","","0.71073","MoKα","","0.0461","0.0329","","","0.0691","0.0742","","","","","","0.976","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215299","19.0367","0.0016","8.23","0.0007","18.2963","0.0015","90","","90","","90","","2866.5","0.4","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C22.85 H20.65 Cd N4.95 O6.7 -","- C20 H14 Cd N4 O4 -","- C80 H56 Cd4 N16 O16 -","4","1","","Cui, Ke-Hui; Yao, Shi-Yan; Li, Hai-Qin; Li, Yan-Tao; Zhao, Hai-Ping; Jiang, Chun-Jie; Tian, Yun-Qi","Acentric and chiral four-connected metal‒organic frameworks based on the racemic binaphthol-like chiral ligand of 4-(1-H(or methyl)-imidaozol-1-yl)benzoic acid","CrystEngComm","2011","13","10","3432","","10.1039/c0ce00789g","","","0.71073","MoKα","","0.0359","0.0282","","","0.0686","0.072","","","","","","0.994","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215300","18.8725","0.0015","18.8725","0.0015","8.0221","0.0013","90","","90","","90","","2857.2","0.6","293","2","293","2","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","","","","- C25.9 H27.85 Cd N5.3 O6.05 -","- C22 H18 Cd N4 O4 -","- C88 H72 Cd4 N16 O16 -","4","0.5","","Cui, Ke-Hui; Yao, Shi-Yan; Li, Hai-Qin; Li, Yan-Tao; Zhao, Hai-Ping; Jiang, Chun-Jie; Tian, Yun-Qi","Acentric and chiral four-connected metal‒organic frameworks based on the racemic binaphthol-like chiral ligand of 4-(1-H(or methyl)-imidaozol-1-yl)benzoic acid","CrystEngComm","2011","13","10","3432","","10.1039/c0ce00789g","","","0.71073","MoKα","","0.0752","0.0462","","","0.0605","0.0653","","","","","","1.013","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215301","18.5718","0.0009","18.5718","0.0009","7.7776","0.0008","90","","90","","90","","2682.6","0.3","293","2","293","2","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","","","","- C26 H29.5 Co N5 O6.3 -","- C22 H18 Co N4 O4 -","- C88 H72 Co4 N16 O16 -","4","0.5","","Cui, Ke-Hui; Yao, Shi-Yan; Li, Hai-Qin; Li, Yan-Tao; Zhao, Hai-Ping; Jiang, Chun-Jie; Tian, Yun-Qi","Acentric and chiral four-connected metal‒organic frameworks based on the racemic binaphthol-like chiral ligand of 4-(1-H(or methyl)-imidaozol-1-yl)benzoic acid","CrystEngComm","2011","13","10","3432","","10.1039/c0ce00789g","","","0.71073","MoKα","","0.0574","0.0509","","","0.1275","0.1315","","","","","","1.074","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215302","15.573","0.002","19.416","0.003","19.664","0.003","90","","90","","90","","5945.7","1.5","293","2","293","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C30.8 H37.8 Cd N6.2 O6.2 -","- C22 H18 Cd N4 O4 -","- C176 H144 Cd8 N32 O32 -","8","","","Cui, Ke-Hui; Yao, Shi-Yan; Li, Hai-Qin; Li, Yan-Tao; Zhao, Hai-Ping; Jiang, Chun-Jie; Tian, Yun-Qi","Acentric and chiral four-connected metal‒organic frameworks based on the racemic binaphthol-like chiral ligand of 4-(1-H(or methyl)-imidaozol-1-yl)benzoic acid","CrystEngComm","2011","13","10","3432","","10.1039/c0ce00789g","","","0.71073","MoKα","","0.0665","0.0451","","","0.0785","0.084","","","","","","1.048","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215303","9.5451","0.0003","14.2427","0.0005","7.3811","0.0002","90","","102.716","0.002","90","","978.83","0.05","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","3-methoxyaspirin","2-acetyloxy-3-methoxybenzoic acid","","- C10 H10 O5 -","- C10 H10 O5 -","- C40 H40 O20 -","4","1","","Hursthouse, Michael B.; Montis, Riccardo; Tizzard, Graham J.","Further crystal structures for the substituted aspirin family of molecules: the first aspirin carboxylate catemer and a detailed assessment of the subtle influences of weak intermolecular interactions","CrystEngComm","2011","13","10","3390","","10.1039/c0ce00838a","","","0.71073","MoKα","","0.0503","0.0403","","","0.1013","0.107","","","","","","1.07","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215304","4.9084","0.0001","10.0101","0.0005","17.4781","0.0009","90","","96.917","0.003","90","","852.51","0.06","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-fluoroaspirin","2-acetyloxy-4-fluorobenzoic acid","","- C9 H7 F O4 -","- C9 H7 F O4 -","- C36 H28 F4 O16 -","4","1","","Hursthouse, Michael B.; Montis, Riccardo; Tizzard, Graham J.","Further crystal structures for the substituted aspirin family of molecules: the first aspirin carboxylate catemer and a detailed assessment of the subtle influences of weak intermolecular interactions","CrystEngComm","2011","13","10","3390","","10.1039/c0ce00838a","","","0.71073","MoKα","","0.0692","0.0477","","","0.1084","0.1215","","","","","","1.076","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215305","5.0688","0.0001","9.4619","0.0003","20.0281","0.0006","90","","94.069","0.002","90","","958.14","0.05","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","4-methoxyaspirin","2-acetyloxy-4-methoxybenzoic acid","","- C10 H10 O5 -","- C10 H10 O5 -","- C40 H40 O20 -","4","1","","Hursthouse, Michael B.; Montis, Riccardo; Tizzard, Graham J.","Further crystal structures for the substituted aspirin family of molecules: the first aspirin carboxylate catemer and a detailed assessment of the subtle influences of weak intermolecular interactions","CrystEngComm","2011","13","10","3390","","10.1039/c0ce00838a","","","0.71073","MoKα","","0.0729","0.0534","","","0.1239","0.1327","","","","","","1.052","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215306","5.0385","0.0001","17.3609","0.0005","10.8931","0.0003","90","","95.402","0.002","90","","948.62","0.04","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","5-methoxyaspirin","2-acetyloxy-5-methoxybenzoic acid","","- C10 H10 O5 -","- C10 H10 O5 -","- C40 H40 O20 -","4","1","","Hursthouse, Michael B.; Montis, Riccardo; Tizzard, Graham J.","Further crystal structures for the substituted aspirin family of molecules: the first aspirin carboxylate catemer and a detailed assessment of the subtle influences of weak intermolecular interactions","CrystEngComm","2011","13","10","3390","","10.1039/c0ce00838a","","","0.71073","MoKα","","0.0437","0.0374","","","0.0924","0.097","","","","","","1.06","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215307","7.3711","0.0002","7.0952","0.0001","16.7141","0.0004","90","","100.919","0.001","90","","858.31","0.03","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","6-fluoroaspirin","2-acetyloxy-6-fluorobenzoic acid","","- C9 H7 F O4 -","- C9 H7 F O4 -","- C36 H28 F4 O16 -","4","1","","Hursthouse, Michael B.; Montis, Riccardo; Tizzard, Graham J.","Further crystal structures for the substituted aspirin family of molecules: the first aspirin carboxylate catemer and a detailed assessment of the subtle influences of weak intermolecular interactions","CrystEngComm","2011","13","10","3390","","10.1039/c0ce00838a","","","0.71073","MoKα","","0.0439","0.0387","","","0.0877","0.0918","","","","","","1.041","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215308","18.0847","0.0008","18.0847","0.0008","9.9217","0.0009","90","","90","","90","","3245","0.4","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","cadmium 2-nitroimidazolate","","","- C4.5 H3 Cd0.75 N4.5 O3 -","- C4.5 H3 Cd0.75 N4.5 O3 -","- C72 H48 Cd12 N72 O48 -","16","1","","Li, Yan-Tao; Yao, Shi-Yan; Wang, Yan; Cui, Ke-Hui; Li, Hai-Qin; Wang, Xin; Zhu, Jian-Qi; Li, Jia; Tian, Yun-Qi","A novel cadmium imidazolate framework (CdIF) with ice-XII structure of itv topology","CrystEngComm","2011","13","10","3470","","10.1039/c1ce05055a","","","0.71073","MoKα","","0.0338","0.0255","","","0.0623","0.0668","","","","","","0.812","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215309","16.744","0.006","15.092","0.006","22.518","0.008","90","","90","","90","","5690","4","293","2","293","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C50 H48 Co3 N6 O14 S3 -","- C50 H48 Co3 N6 O14 S3 -","- C200 H192 Co12 N24 O56 S12 -","4","0.5","","Zou, Hua-Hong; He, Yan-Ping; Gui, Liu-Cheng; Liang, Fu-Pei","A new 8-connected porous coordination polymer: crystal structure and selective adsorption properties","CrystEngComm","2011","13","10","3325","","10.1039/c1ce05103b","","","0.71073","MoKα","","0.1027","0.0825","","","0.2235","0.2415","","","","","","1.121","","","","has coordinates,has disorder","180484","2020-10-21","18:00:00",""
"7215310","7.546","0.0015","10.948","0.002","7.804","0.0016","90","","90","","90","","644.7","0.2","295","2","295","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C5 H6 N O3 P -","- C5 H6 N O3 P -","- C20 H24 N4 O12 P4 -","4","1","","Zon, Jerzy; Videnova-Adrabinska, Veneta; Janczak, Jan; Wilk, Magdalena; Samoc, Anna; Gancarz, Roman; Samoc, Marek","Design, synthesis and noncentrosymmetric solid state organization of three novel pyridylphosphonic acids","CrystEngComm","2011","13","10","3474","","10.1039/c1ce05140g","","","0.71073","MoKα","","0.0254","0.0209","","","0.0516","0.0531","","","","","","0.955","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215311","19.948","0.003","28.534","0.004","5.304","0.001","90","","90","","90","","3019","0.8","295","2","295","2","","","","","","","","5","F d d 2","F 2 -2d","43","","5-(dihydroxyphosphoryl)nicotinic acid","","- C6 H6 N O5 P -","- C6 H6 N O5 P -","- C96 H96 N16 O80 P16 -","16","1","","Zon, Jerzy; Videnova-Adrabinska, Veneta; Janczak, Jan; Wilk, Magdalena; Samoc, Anna; Gancarz, Roman; Samoc, Marek","Design, synthesis and noncentrosymmetric solid state organization of three novel pyridylphosphonic acids","CrystEngComm","2011","13","10","3474","","10.1039/c1ce05140g","","","0.71073","MoKα","","0.0301","0.0249","","","0.0576","0.0592","","","","","","1.001","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215312","7.0495","0.0014","10.49","0.002","10.813","0.002","90","","90","","90","","799.6","0.3","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H7 N O6 P2 -","- C5 H7 N O6 P2 -","- C20 H28 N4 O24 P8 -","4","1","","Zon, Jerzy; Videnova-Adrabinska, Veneta; Janczak, Jan; Wilk, Magdalena; Samoc, Anna; Gancarz, Roman; Samoc, Marek","Design, synthesis and noncentrosymmetric solid state organization of three novel pyridylphosphonic acids","CrystEngComm","2011","13","10","3474","","10.1039/c1ce05140g","","","0.71073","MoKα","","0.0278","0.022","","","0.0548","0.0548","","","","","","1.002","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215313","10.0108","0.0002","18.514","0.0004","18.8711","0.0004","90","","96.628","0.002","90","","3474.19","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H29 Cd N7 O7 -","- C35 H29 Cd N7 O7 -","- C140 H116 Cd4 N28 O28 -","4","1","","Wu, Hua; Liu, Hai-Yan; Liu, Bo; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang; Liu, Yun-Yu; Bai, Hong-Ye","Two unprecedented 3D metal‒organic polyrotaxane frameworks based on a new flexible tri(imidazole) ligand","CrystEngComm","2011","13","10","3402","","10.1039/c0ce00908c","","","1.54184","CuKα","","0.133","0.0722","","","0.1716","0.2049","","","","","","1.056","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215314","10.175","0.0003","13.289","0.0004","15.712","0.0007","109.992","0.003","94.333","0.003","90.49","0.002","1989.44","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H58 Cd3 Cl2 N14 O12 -","- C70 H50 Cd3 Cl2 N14 O12 -","- C70 H50 Cd3 Cl2 N14 O12 -","1","0.5","","Wu, Hua; Liu, Hai-Yan; Liu, Bo; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang; Liu, Yun-Yu; Bai, Hong-Ye","Two unprecedented 3D metal‒organic polyrotaxane frameworks based on a new flexible tri(imidazole) ligand","CrystEngComm","2011","13","10","3402","","10.1039/c0ce00908c","","","0.71069","MoKα","","0.0853","0.0431","","","0.0958","0.1048","","","","","","0.915","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215315","7.8127","0.0017","18.72","0.004","13.281","0.003","90","","94.294","0.004","90","","1936.9","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 N5 O5 Zn -","- C17 H17 N5 O5 Zn -","- C68 H68 N20 O20 Zn4 -","4","1","","Li, Dong-Sheng; Ke, Xi-Jun; Zhao, Jun; Du, Miao; Zou, Kun; He, Qiu-Fen; Li, Cai","Unusual 3D ZnII coordination networks with mixed tetrahedral and square-planar building units: from 2-fold interpenetrating bbf architecture to self-penetrating 86 topological frameworks","CrystEngComm","2011","13","10","3355","","10.1039/c1ce05231d","","","0.71073","MoKα","","0.0827","0.0526","","","0.1508","0.191","","","","","","1.062","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215316","9.267","0.004","13.257","0.006","16.324","0.007","90","","94.975","0.009","90","","1997.9","1.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H23 N5 O7 Zn -","- C18 H17 N5 O7 Zn -","- C72 H68 N20 O28 Zn4 -","4","1","","Li, Dong-Sheng; Ke, Xi-Jun; Zhao, Jun; Du, Miao; Zou, Kun; He, Qiu-Fen; Li, Cai","Unusual 3D ZnII coordination networks with mixed tetrahedral and square-planar building units: from 2-fold interpenetrating bbf architecture to self-penetrating 86 topological frameworks","CrystEngComm","2011","13","10","3355","","10.1039/c1ce05231d","","","0.71073","MoKα","","0.1189","0.064","","","0.1675","0.198","","","","","","1.001","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215317","10.283","0.003","10.282","0.003","17.38","0.005","93.327","0.004","98.686","0.005","111.005","0.007","1683.2","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H28 Cl N12 O7 Zn2 -","- C26 H28 Cl N12 O7 Zn2 -","- C52 H56 Cl2 N24 O14 Zn4 -","2","1","","Wang, Ju; Zhu, Xia; Cui, Yan-Feng; Li, Bao-Long; Li, Hai-Yan","A polythreading coordination array formed from 2D grid networks and 1D chains","CrystEngComm","2011","13","10","3342","","10.1039/c0ce00782j","","","0.7107","MoKα","","0.0685","0.0557","","","0.1567","0.1683","","","","","","1.091","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215318","10.3742","0.0003","10.9261","0.0005","11.5914","0.0011","68.78","0.03","65.22","0.02","62.77","0.02","1036.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H22 N6 O7 Zn -","- C16 H18 N6 O7 Zn -","- C32 H36 N12 O14 Zn2 -","2","1","","Wang, Ju; Zhu, Xia; Cui, Yan-Feng; Li, Bao-Long; Li, Hai-Yan","A polythreading coordination array formed from 2D grid networks and 1D chains","CrystEngComm","2011","13","10","3342","","10.1039/c0ce00782j","","","0.7107","MoKα","","0.126","0.0717","","","0.1868","0.2686","","","","","","1.07","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215319","9.303","0.006","8.413","0.006","8.161","0.006","90","","90","","90","","638.7","0.8","293","2","293","2","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- C4 H5 N3 O2 Zn -","- C4 H5 N3 O2 Zn -","- C16 H20 N12 O8 Zn4 -","4","1","","Yin, Pei-Xiu; Zhang, Jian; Qin, Ye-Yan; Cheng, Jian-Kai; Li, Zhao-Ji; Yao, Yuan-Gen","Role of molar-ratio, temperature and solvent on the Zn/Cd 1,2,4-triazolate system with novel topological architectures","CrystEngComm","2011","13","10","3536","","10.1039/c0ce00762e","","","0.71073","MoKα","","0.03","0.0276","","","0.0628","0.0645","","","","","","1.031","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215320","7.663","0.003","10.104","0.004","17.426","0.008","90","","90","","90","","1349.2","1","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H9 N9 O2 Zn2 -","- C8 H9 N9 O2 Zn2 -","- C32 H36 N36 O8 Zn8 -","4","0.5","","Yin, Pei-Xiu; Zhang, Jian; Qin, Ye-Yan; Cheng, Jian-Kai; Li, Zhao-Ji; Yao, Yuan-Gen","Role of molar-ratio, temperature and solvent on the Zn/Cd 1,2,4-triazolate system with novel topological architectures","CrystEngComm","2011","13","10","3536","","10.1039/c0ce00762e","","","0.71073","MoKα","","0.0349","0.0312","","","0.0738","0.0761","","","","","","1.107","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215321","11.856","0.008","12.019","0.008","16.688","0.012","90","","90","","90","","2378","3","293","2","293","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C12 H20 Cd3 Cl3 N11 O2 -","- C12 H20 Cd3 Cl3 N11 O2 -","- C48 H80 Cd12 Cl12 N44 O8 -","4","0.5","","Yin, Pei-Xiu; Zhang, Jian; Qin, Ye-Yan; Cheng, Jian-Kai; Li, Zhao-Ji; Yao, Yuan-Gen","Role of molar-ratio, temperature and solvent on the Zn/Cd 1,2,4-triazolate system with novel topological architectures","CrystEngComm","2011","13","10","3536","","10.1039/c0ce00762e","","","0.71073","MoKα","","0.0463","0.0418","","","0.0929","0.0956","","","","","","1.072","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215322","7.09","0.02","7.24","0.02","11.96","0.03","90","","90","","90","","614","3","293","2","293","2","","","","","","","","6","I m m a","-I 2b 2","74","","","","- C2 H5 Cd Cl2 N3 O -","- C2 H3 Cd Cl2 N3 O -","- C8 H12 Cd4 Cl8 N12 O4 -","4","0.25","","Yin, Pei-Xiu; Zhang, Jian; Qin, Ye-Yan; Cheng, Jian-Kai; Li, Zhao-Ji; Yao, Yuan-Gen","Role of molar-ratio, temperature and solvent on the Zn/Cd 1,2,4-triazolate system with novel topological architectures","CrystEngComm","2011","13","10","3536","","10.1039/c0ce00762e","","","0.71073","MoKα","","0.0636","0.0624","","","0.2184","0.2198","","","","","","1.093","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215323","16.562","0.007","10.103","0.004","7.904","0.003","90","","90","","90","","1322.5","0.9","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H9 Cd2 Cl N12 -","- C6 H9 Cd2 Cl N12 -","- C24 H36 Cd8 Cl4 N48 -","4","0.5","","Yin, Pei-Xiu; Zhang, Jian; Qin, Ye-Yan; Cheng, Jian-Kai; Li, Zhao-Ji; Yao, Yuan-Gen","Role of molar-ratio, temperature and solvent on the Zn/Cd 1,2,4-triazolate system with novel topological architectures","CrystEngComm","2011","13","10","3536","","10.1039/c0ce00762e","","","0.71073","MoKα","","0.0274","0.0254","","","0.0579","0.0592","","","","","","1.079","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215324","14.277","0.0007","13.671","0.0008","25.33","0.0013","90","","93.47","0.001","90","","4934.9","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H40 Co N4 O19 Y2 -","- C50 H34 Co N4 O19 Y2 -","- C200 H136 Co4 N16 O76 Y8 -","4","1","","Ma, Ji-Cheng; Liu, Ying-Ying; Yang, Jin; Liu, Yun-Yu; Ma, Jian-Fang","A series of lanthanide-transition metal coordination polymers with mixed ligands: syntheses, structures, photoluminescence and magnetic properties","CrystEngComm","2011","13","10","3498","","10.1039/c0ce00724b","","","0.71069","MoKα","","0.1145","0.0505","","","0.1087","0.1365","","","","","","0.975","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215325","14.217","0.003","13.665","0.002","25.382","0.005","90","","93.176","0.008","90","","4923.5","1.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H40 N4 O19 Y2 Zn -","- C50 H34 N4 O19 Y2 Zn -","- C200 H136 N16 O76 Y8 Zn4 -","4","1","","Ma, Ji-Cheng; Liu, Ying-Ying; Yang, Jin; Liu, Yun-Yu; Ma, Jian-Fang","A series of lanthanide-transition metal coordination polymers with mixed ligands: syntheses, structures, photoluminescence and magnetic properties","CrystEngComm","2011","13","10","3498","","10.1039/c0ce00724b","","","0.71069","MoKα","","0.0793","0.0439","","","0.0866","0.0975","","","","","","1.021","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215326","14.24","0.0013","13.651","0.0014","25.338","0.003","90","","93.315","0.002","90","","4917.2","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H40 Co Er2 N4 O19 -","- C50 H34 Co Er2 N4 O19 -","- C200 H136 Co4 Er8 N16 O76 -","4","1","","Ma, Ji-Cheng; Liu, Ying-Ying; Yang, Jin; Liu, Yun-Yu; Ma, Jian-Fang","A series of lanthanide-transition metal coordination polymers with mixed ligands: syntheses, structures, photoluminescence and magnetic properties","CrystEngComm","2011","13","10","3498","","10.1039/c0ce00724b","","","0.71069","MoKα","","0.1086","0.0532","","","0.0987","0.1298","","","","","","0.969","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215327","14.294","0.003","13.645","0.002","25.265","0.005","90","","93.582","0.009","90","","4918.1","1.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H40 Er2 N4 O19 Zn -","- C50 H34 Er2 N4 O19 Zn -","- C200 H136 Er8 N16 O76 Zn4 -","4","1","","Ma, Ji-Cheng; Liu, Ying-Ying; Yang, Jin; Liu, Yun-Yu; Ma, Jian-Fang","A series of lanthanide-transition metal coordination polymers with mixed ligands: syntheses, structures, photoluminescence and magnetic properties","CrystEngComm","2011","13","10","3498","","10.1039/c0ce00724b","","","0.71069","MoKα","","0.049","0.0341","","","0.0619","0.0662","","","","","","1.034","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215328","14.479","0.0013","13.914","0.0013","25.214","0.002","90","","93.886","0.001","90","","5068","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C100 H74 Co2 N8 O35 Sm4 -","- C100 H68 Co2 N8 O35 Sm4 -","- C200 H136 Co4 N16 O70 Sm8 -","2","0.5","","Ma, Ji-Cheng; Liu, Ying-Ying; Yang, Jin; Liu, Yun-Yu; Ma, Jian-Fang","A series of lanthanide-transition metal coordination polymers with mixed ligands: syntheses, structures, photoluminescence and magnetic properties","CrystEngComm","2011","13","10","3498","","10.1039/c0ce00724b","","","0.71069","MoKα","","0.1362","0.0708","","","0.1748","0.2129","","","","","","1.022","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"7215329","13.552","0.0008","17.794","0.001","19.514","0.0011","73.946","0.001","81.002","0.001","86.582","0.001","4465.9","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H82 N14 Ni2 O30 Y2 -","- C88 H75 N14 Ni2 O30 Y2 -","- C176 H150 N28 Ni4 O60 Y4 -","2","1","","Ma, Ji-Cheng; Liu, Ying-Ying; Yang, Jin; Liu, Yun-Yu; Ma, Jian-Fang","A series of lanthanide-transition metal coordination polymers with mixed ligands: syntheses, structures, photoluminescence and magnetic properties","CrystEngComm","2011","13","10","3498","","10.1039/c0ce00724b","","","0.71069","MoKα","","0.0914","0.0512","","","0.1059","0.1234","","","","","","1.023","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215330","7.432","0.014","24.68","0.03","11.157","0.018","90","","91.7","0.14","90","","2046","6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 Cl4 N2 Zn -","- C16 H24 Cl4 N2 Zn -","- C64 H96 Cl16 N8 Zn4 -","4","1","","Rademeyer, Melanie; Tsouris, Christos; Billing, David G.; Lemmerer, Andreas; Charmant, Jonathan","Robust motifs in 2-phenylethylammonium and related tetrahalometallates","CrystEngComm","2011","13","10","3485","","10.1039/c0ce00634c","","","0.71073","MoKα","","0.1298","0.0728","","","0.2","0.226","","","","","","1.104","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215331","8.2036","0.0004","26.8324","0.0016","10.988","0.0006","90","","90.202","0.004","90","","2418.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 I4 N2 Zn -","- C16 H24 I4 N2 Zn -","- C64 H96 I16 N8 Zn4 -","4","1","","Rademeyer, Melanie; Tsouris, Christos; Billing, David G.; Lemmerer, Andreas; Charmant, Jonathan","Robust motifs in 2-phenylethylammonium and related tetrahalometallates","CrystEngComm","2011","13","10","3485","","10.1039/c0ce00634c","","","0.71073","MoKα","","0.0793","0.0592","","","0.149","0.1603","","","","","","1.089","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215332","7.868","0.0009","25.864","0.003","11.0185","0.0014","90","","91.086","0.002","90","","2241.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 Br4 Cd N2 -","- C16 H24 Br4 Cd N2 -","- C64 H96 Br16 Cd4 N8 -","4","1","","Rademeyer, Melanie; Tsouris, Christos; Billing, David G.; Lemmerer, Andreas; Charmant, Jonathan","Robust motifs in 2-phenylethylammonium and related tetrahalometallates","CrystEngComm","2011","13","10","3485","","10.1039/c0ce00634c","","","0.71073","MoKα","","0.0803","0.0417","","","0.1188","0.1329","","","","","","0.891","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215333","10.94","0.002","8.214","0.002","13.556","0.003","90","","99.132","0.017","90","","1202.7","0.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H24 Cd I4 N2 -","- C16 H24 Cd I4 N2 -","- C32 H48 Cd2 I8 N4 -","2","1","","Rademeyer, Melanie; Tsouris, Christos; Billing, David G.; Lemmerer, Andreas; Charmant, Jonathan","Robust motifs in 2-phenylethylammonium and related tetrahalometallates","CrystEngComm","2011","13","10","3485","","10.1039/c0ce00634c","","","0.71073","MoKα","","0.1048","0.0654","","","0.1924","0.2383","","","","","","1.043","","","","has coordinates,has disorder","180484","2020-10-21","18:00:00",""
"7215334","7.8392","0.0016","25.756","0.005","11.016","0.002","90","","91.03","0.03","90","","2223.8","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 Br4 Hg N2 -","- C16 H24 Br4 Hg N2 -","- C64 H96 Br16 Hg4 N8 -","4","1","","Rademeyer, Melanie; Tsouris, Christos; Billing, David G.; Lemmerer, Andreas; Charmant, Jonathan","Robust motifs in 2-phenylethylammonium and related tetrahalometallates","CrystEngComm","2011","13","10","3485","","10.1039/c0ce00634c","","","0.71073","MoKα","","0.0899","0.0426","","","0.1017","0.1085","","","","","","0.895","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215335","10.8319","0.0016","8.396","0.0012","13.5792","0.0019","90","","98.66","0.003","90","","1220.9","0.3","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H24 Hg I4 N2 -","- C16 H24 Hg I4 N2 -","- C32 H48 Hg2 I8 N4 -","2","1","","Rademeyer, Melanie; Tsouris, Christos; Billing, David G.; Lemmerer, Andreas; Charmant, Jonathan","Robust motifs in 2-phenylethylammonium and related tetrahalometallates","CrystEngComm","2011","13","10","3485","","10.1039/c0ce00634c","","","0.71073","MoKα","","0.0581","0.0375","","","0.089","0.0967","","","","","","1.045","","","","has coordinates,has disorder","180484","2020-10-21","18:00:00",""
"7215336","7.6962","0.0017","25.541","0.004","11.1314","0.0019","90","","91.782","0.016","90","","2187","0.7","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 Br Cl2 I N2 Zn -","- C16 H24 Br Cl2 I N2 Zn -","- C64 H96 Br4 Cl8 I4 N8 Zn4 -","4","1","","Rademeyer, Melanie; Tsouris, Christos; Billing, David G.; Lemmerer, Andreas; Charmant, Jonathan","Robust motifs in 2-phenylethylammonium and related tetrahalometallates","CrystEngComm","2011","13","10","3485","","10.1039/c0ce00634c","","","0.71073","MoKα","","0.1198","0.0949","","","0.2772","0.301","","","","","","1.142","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215337","10.1716","0.0002","12.1281","0.0003","12.4038","0.0003","90","","111.816","0.001","90","","1420.57","0.06","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 N3 O S -","- C16 H13 N3 O S -","- C64 H52 N12 O4 S4 -","4","1","","Guzei, Ilia A.; Gunn, Erica M.; Spencer, Lara C.; Schomaker, Jennifer M.; Rigoli, Jared W.","Polymorphism of 5-(pyridin-2-ylmethylene)-3-phenyl-2-methylthio-3,5-dihydro-4H-imidazole-4-one","CrystEngComm","2011","13","10","3444","","10.1039/c1ce05098b","","","0.71073","MoKα","","0.0434","0.0395","","","0.1111","0.1146","","","","","","1.066","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215338","17.0269","0.0004","23.4679","0.0006","6.9207","0.0002","90","","90","","90","","2765.41","0.12","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H13 N3 O S -","- C16 H13 N3 O S -","- C128 H104 N24 O8 S8 -","8","1","","Guzei, Ilia A.; Gunn, Erica M.; Spencer, Lara C.; Schomaker, Jennifer M.; Rigoli, Jared W.","Polymorphism of 5-(pyridin-2-ylmethylene)-3-phenyl-2-methylthio-3,5-dihydro-4H-imidazole-4-one","CrystEngComm","2011","13","10","3444","","10.1039/c1ce05098b","","","1.54178","CuKα","","0.0318","0.0308","","","0.088","0.0892","","","","","","1.022","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215339","8.72","0.001","8.969","0.0012","9.422","0.0012","77.951","0.011","80.69","0.01","71.308","0.011","679.06","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H10 Gd N O12 -","- C9 H10 Gd N O12 -","- C18 H20 Gd2 N2 O24 -","2","1","","Shi, Lian-Xu; Xu, Xuan; Wu, Chuan-De","Five intercalating coordination networks based on an identical anionic lamella and diverse hydrated cations","CrystEngComm","2011","13","20","6027","","10.1039/c1ce05613a","","","0.71073","MoKα","","0.0955","0.0845","","","0.1945","0.2034","","","","","","1.023","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215340","8.6761","0.0012","9.3984","0.0014","10.5809","0.0017","92.225","0.011","102.987","0.01","109.636","0.009","785.7","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H30 Gd2 N2 O30 Zn -","- C18 H30 Gd2 N2 O30 Zn -","- C18 H30 Gd2 N2 O30 Zn -","1","0.5","","Shi, Lian-Xu; Xu, Xuan; Wu, Chuan-De","Five intercalating coordination networks based on an identical anionic lamella and diverse hydrated cations","CrystEngComm","2011","13","20","6027","","10.1039/c1ce05613a","","","0.71073","MoKα","","0.116","0.0837","","","0.1813","0.1968","","","","","","1.013","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215341","8.6552","0.001","9.276","0.0011","10.695","0.0011","93.603","0.006","101.819","0.006","109.742","0.006","782.89","0.16","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H30 Cu Gd2 N2 O30 -","- C18 H30 Cu Gd2 N2 O30 -","- C18 H30 Cu Gd2 N2 O30 -","1","0.5","","Shi, Lian-Xu; Xu, Xuan; Wu, Chuan-De","Five intercalating coordination networks based on an identical anionic lamella and diverse hydrated cations","CrystEngComm","2011","13","20","6027","","10.1039/c1ce05613a","","","0.71073","MoKα","","0.0571","0.0457","","","0.1089","0.1144","","","","","","1.048","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215342","8.7113","0.0003","9.1913","0.0004","10.5321","0.0004","86.054","0.002","77.189","0.002","71.101","0.002","777.96","0.05","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H28 Co Gd2 N2 O29 -","- C18 H26 Co Gd2 N2 O29 -","- C18 H26 Co Gd2 N2 O29 -","1","0.5","","Shi, Lian-Xu; Xu, Xuan; Wu, Chuan-De","Five intercalating coordination networks based on an identical anionic lamella and diverse hydrated cations","CrystEngComm","2011","13","20","6027","","10.1039/c1ce05613a","","","0.71073","MoKα","","0.0279","0.025","","","0.0639","0.0659","","","","","","1.047","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215343","8.7196","0.0001","9.222","0.0002","10.5926","0.0002","86.003","0.001","77.168","0.001","71.09","0.001","785.68","0.02","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H28 Gd2 Mn N2 O29 -","- C18 H26 Gd2 Mn N2 O29 -","- C18 H26 Gd2 Mn N2 O29 -","1","0.5","","Shi, Lian-Xu; Xu, Xuan; Wu, Chuan-De","Five intercalating coordination networks based on an identical anionic lamella and diverse hydrated cations","CrystEngComm","2011","13","20","6027","","10.1039/c1ce05613a","","","0.71073","MoKα","","0.0208","0.0184","","","0.044","0.0449","","","","","","1.048","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215344","10.393","0.002","11.27","0.002","12.065","0.002","105.91","0.03","95.95","0.03","96.73","0.03","1336","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H52 Cl6 N4 O12 Pr2 Zn2 -","- C48 H52 Cl6 N4 O12 Pr2 Zn2 -","- C48 H52 Cl6 N4 O12 Pr2 Zn2 -","1","0.5","","Chen, Peng; Chen, Han; Yan, Pengfei; Wang, Yan; Li, Guangming","Effect of lanthanide contraction and rigid ligand on the structure of salen-type lanthanide complexes","CrystEngComm","2011","13","20","6237","","10.1039/c1ce05501a","","","0.71073","MoKα","","0.031","0.0248","","","0.0505","0.0526","","","","","","1.053","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215345","8.011","0.0016","13.379","0.003","13.674","0.003","74.93","0.03","83.71","0.03","86.61","0.03","1405.9","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H25 Cl2 N2 O7 Tb Zn -","- C25 H25 Cl2 N2 O7 Tb Zn -","- C50 H50 Cl4 N4 O14 Tb2 Zn2 -","2","1","","Chen, Peng; Chen, Han; Yan, Pengfei; Wang, Yan; Li, Guangming","Effect of lanthanide contraction and rigid ligand on the structure of salen-type lanthanide complexes","CrystEngComm","2011","13","20","6237","","10.1039/c1ce05501a","","","0.71073","MoKα","","0.0549","0.0455","","","0.1354","0.1427","","","","","","1.172","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215346","7.99","0.003","13.377","0.005","13.685","0.005","74.414","0.006","83.644","0.007","86.54","0.007","1399.5","0.9","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H25 Cl2 Dy N2 O7 Zn -","- C25 H25 Cl2 Dy N2 O7 Zn -","- C50 H50 Cl4 Dy2 N4 O14 Zn2 -","2","1","","Chen, Peng; Chen, Han; Yan, Pengfei; Wang, Yan; Li, Guangming","Effect of lanthanide contraction and rigid ligand on the structure of salen-type lanthanide complexes","CrystEngComm","2011","13","20","6237","","10.1039/c1ce05501a","","","0.71073","MoKα","","0.1104","0.0774","","","0.2232","0.2757","","","","","","1.01","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215347","11.979","0.006","13.2","0.007","13.26","0.007","116.241","0.007","91.775","0.008","104.446","0.008","1796.9","1.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H58 Cl4 Lu4 N4 O22 Zn -","- C52 H54 Cl4 Lu4 N4 O22 Zn -","- C52 H54 Cl4 Lu4 N4 O22 Zn -","1","0.5","","Chen, Peng; Chen, Han; Yan, Pengfei; Wang, Yan; Li, Guangming","Effect of lanthanide contraction and rigid ligand on the structure of salen-type lanthanide complexes","CrystEngComm","2011","13","20","6237","","10.1039/c1ce05501a","","","0.71073","MoKα","","0.0662","0.0454","","","0.1106","0.121","","","","","","1.049","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215348","7.5724","0.0002","12.3856","0.0003","8.0889","0.0002","90","","94.12","0.002","90","","756.69","0.03","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C3 H12 Ga2 N2 Se7 -","- C3 H12 Ga2 N2 Se7 -","- C6 H24 Ga4 N4 Se14 -","2","1","","Xiong, Wei-Wei; Li, Jian-Rong; Feng, Mei-Ling; Huang, Xiao-Ying","Solvothermal syntheses, crystal structures, and characterizations of a series of one-dimensional organic-containing gallium polyselenides","CrystEngComm","2011","13","20","6206","","10.1039/c1ce05507k","","","0.71073","MoKα","","0.0342","0.0279","","","0.0534","0.0541","","","","","","1","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215349","11.766","0.0004","11.7743","0.0004","10.9763","0.0004","90","","110.17","0.004","90","","1427.36","0.09","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H14 Ga2 N2 Se5 -","- C4 H14 Ga2 N2 Se5 -","- C16 H56 Ga8 N8 Se20 -","4","0.5","","Xiong, Wei-Wei; Li, Jian-Rong; Feng, Mei-Ling; Huang, Xiao-Ying","Solvothermal syntheses, crystal structures, and characterizations of a series of one-dimensional organic-containing gallium polyselenides","CrystEngComm","2011","13","20","6206","","10.1039/c1ce05507k","","","0.71073","MoKα","","0.026","0.0183","","","0.0369","0.0374","","","","","","1.033","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215350","14.135","0.012","8.456","0.007","14.066","0.013","90","","100.318","0.017","90","","1654","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H16 Ga2 N2 Se6 -","- C4 H16 Ga2 N2 Se6 -","- C16 H64 Ga8 N8 Se24 -","4","1","","Xiong, Wei-Wei; Li, Jian-Rong; Feng, Mei-Ling; Huang, Xiao-Ying","Solvothermal syntheses, crystal structures, and characterizations of a series of one-dimensional organic-containing gallium polyselenides","CrystEngComm","2011","13","20","6206","","10.1039/c1ce05507k","","","0.71073","MoKα","","0.0765","0.0538","","","0.1233","0.1374","","","","","","1.087","","","","has coordinates,has disorder","180484","2020-10-21","18:00:00",""
"7215351","6.9815","0.0019","15.436","0.004","11.831","0.003","90","","91.462","0.004","90","","1274.6","0.6","293","2","293","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C12 H32 Ga2 N6 Se6 -","- C12 H32 Ga2 N6 Se6 -","- C24 H64 Ga4 N12 Se12 -","2","1","","Xiong, Wei-Wei; Li, Jian-Rong; Feng, Mei-Ling; Huang, Xiao-Ying","Solvothermal syntheses, crystal structures, and characterizations of a series of one-dimensional organic-containing gallium polyselenides","CrystEngComm","2011","13","20","6206","","10.1039/c1ce05507k","","","0.71073","MoKα","","0.0587","0.0453","","","0.0813","0.0868","","","","","","1.011","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215352","10.623","0.005","16.495","0.008","7.163","0.004","90","","94.935","0.012","90","","1250.5","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H16 Ga N3 Se3 -","- C6 H16 Ga N3 Se3 -","- C24 H64 Ga4 N12 Se12 -","4","1","","Xiong, Wei-Wei; Li, Jian-Rong; Feng, Mei-Ling; Huang, Xiao-Ying","Solvothermal syntheses, crystal structures, and characterizations of a series of one-dimensional organic-containing gallium polyselenides","CrystEngComm","2011","13","20","6206","","10.1039/c1ce05507k","","","0.71073","MoKα","","0.0672","0.0511","","","0.1118","0.1216","","","","","","1.034","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215353","5.24562","0.00017","4.73223","0.00013","12.3051","0.0004","90","","90.426","0.003","90","","305.447","0.016","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","ammonium metaarsenate(III)","","- As H4 N O2 -","- As H4 N O2 -","- As4 H16 N4 O8 -","4","1","","Guńka, Piotr A.; Dranka, Maciej; Zachara, Janusz","Supramolecular structure of ammonium polyoxoarsenates(iii)","CrystEngComm","2011","13","20","6163","","10.1039/c1ce05158j","","","0.71073","MoKα","","0.0308","0.0285","","","0.0676","0.0681","","","","","","1.188","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215354","5.3555","0.0013","4.7543","0.0008","12.313","0.003","90","","90.124","0.019","90","","313.51","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","ammonium metaarsenate(III)","","- As H4 N O2 -","- As H4 N O2 -","- As4 H16 N4 O8 -","4","1","","Guńka, Piotr A.; Dranka, Maciej; Zachara, Janusz","Supramolecular structure of ammonium polyoxoarsenates(iii)","CrystEngComm","2011","13","20","6163","","10.1039/c1ce05158j","","","0.71073","MoKα","","0.0437","0.041","","","0.1028","0.1039","","","","","","1.461","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215355","17.9898","0.0015","4.64836","0.00012","12.8789","0.0011","90","","132.957","0.014","90","","788.2","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","ethylenediamonnium metaarsenate(III)","","- C2 H10 As2 N2 O4 -","- C2 H10 As2 N2 O4 -","- C8 H40 As8 N8 O16 -","4","0.5","","Guńka, Piotr A.; Dranka, Maciej; Zachara, Janusz","Supramolecular structure of ammonium polyoxoarsenates(iii)","CrystEngComm","2011","13","20","6163","","10.1039/c1ce05158j","","","0.71073","MoKα","","0.0359","0.0289","","","0.0704","0.072","","","","","","1.044","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215356","15.4872","0.0009","4.63256","0.00013","12.4361","0.0006","90","","112.001","0.006","90","","827.26","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","benzylammonium metaarsenate(III)","","- C7 H10 As N O2 -","- C7 H10 As N O2 -","- C28 H40 As4 N4 O8 -","4","1","","Guńka, Piotr A.; Dranka, Maciej; Zachara, Janusz","Supramolecular structure of ammonium polyoxoarsenates(iii)","CrystEngComm","2011","13","20","6163","","10.1039/c1ce05158j","","","0.71073","MoKα","","0.0715","0.041","","","0.0822","0.0878","","","","","","0.911","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215357","5.47942","0.00018","4.65117","0.00016","10.4691","0.0003","90","","94.937","0.003","90","","265.823","0.015","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","methylammonium metaarsenate(III) hydrate","","- C H8 As N O3 -","- C H8 As N O3 -","- C2 H16 As2 N2 O6 -","2","1","","Guńka, Piotr A.; Dranka, Maciej; Zachara, Janusz","Supramolecular structure of ammonium polyoxoarsenates(iii)","CrystEngComm","2011","13","20","6163","","10.1039/c1ce05158j","","","0.71073","MoKα","","0.0188","0.0172","","","0.0423","0.0426","","","","","","1.039","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215358","4.7049","0.0004","18.8608","0.0016","6.1721","0.0005","90","","91.821","0.009","90","","547.42","0.08","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","ethanolammonium metaarsenate(III)","","- C2 H8 As N O3 -","- C2 H8 As N O3 -","- C8 H32 As4 N4 O12 -","4","2","","Guńka, Piotr A.; Dranka, Maciej; Zachara, Janusz","Supramolecular structure of ammonium polyoxoarsenates(iii)","CrystEngComm","2011","13","20","6163","","10.1039/c1ce05158j","","","0.71073","MoKα","","0.0505","0.0396","","","0.0765","0.0799","","","","","","1.048","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215359","7.953","0.0019","11.212","0.003","12.307","0.003","90","","103.187","0.004","90","","1068.5","0.5","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H16 N6 -","- C10 H16 N6 -","- C40 H64 N24 -","4","1","","Venkatesh, V.; Kumar, Jitendra; Verma, Sandeep","Adenine containing architectures from silver supported dimeric units","CrystEngComm","2011","13","20","6030","","10.1039/c1ce05696d","","","0.71073","MoKα","","0.0821","0.0626","","","0.1522","0.1749","","","","","","1.13","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215360","12.4905","0.0017","11.1849","0.0015","11.9231","0.0016","90","","117.768","0.002","90","","1473.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 Ag Cl N6 O4 -","- C10 H16 Ag Cl N6 O4 -","- C40 H64 Ag4 Cl4 N24 O16 -","4","1","","Venkatesh, V.; Kumar, Jitendra; Verma, Sandeep","Adenine containing architectures from silver supported dimeric units","CrystEngComm","2011","13","20","6030","","10.1039/c1ce05696d","","","0.71073","MoKα","","0.0738","0.0513","","","0.1429","0.2353","","","","","","1.187","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215361","8.7996","0.0013","12.983","0.0019","13.942","0.002","90","","101.802","0.002","90","","1559.1","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H20 Ag N7 O5 -","- C10 H20 Ag N7 O5 -","- C40 H80 Ag4 N28 O20 -","4","1","","Venkatesh, V.; Kumar, Jitendra; Verma, Sandeep","Adenine containing architectures from silver supported dimeric units","CrystEngComm","2011","13","20","6030","","10.1039/c1ce05696d","","","0.71073","MoKα","","0.0807","0.0532","","","0.1482","0.2324","","","","","","1.139","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215362","11.066","0.0005","13.8214","0.0006","16.8387","0.0007","90","","103.31","0.001","90","","2506.26","0.19","185","2","185","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H30 Co2 N2 O13 -","- C22 H26 Co2 N2 O12 -","- C88 H104 Co8 N8 O48 -","4","1","","Su, Shengqun; Qin, Chao; Song, Shuyan; Guo, Zhiyong; Deng, Ruiping; Chen, Wan; Song, Xuezhi; Wang, Song; Li, Guanghua; Zhang, Hongjie","Three three-dimensional anionic metal‒organic frameworks with (4,8)-connected alb topology constructed from a semi-rigid ligand and polynuclear metal clusters","CrystEngComm","2011","13","20","6057","","10.1039/c1ce05149k","","","0.71073","MoKα","","0.0506","0.0376","","","0.0945","0.1017","","","","","","1.051","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215363","16.2417","0.0011","10.7616","0.0007","25.6486","0.0017","90","","90","","90","","4483","0.5","185","2","185","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C44 H46 Mn3 N4 O18 -","- C44 H32 Mn3 N4 O18 -","- C176 H128 Mn12 N16 O72 -","4","0.5","","Su, Shengqun; Qin, Chao; Song, Shuyan; Guo, Zhiyong; Deng, Ruiping; Chen, Wan; Song, Xuezhi; Wang, Song; Li, Guanghua; Zhang, Hongjie","Three three-dimensional anionic metal‒organic frameworks with (4,8)-connected alb topology constructed from a semi-rigid ligand and polynuclear metal clusters","CrystEngComm","2011","13","20","6057","","10.1039/c1ce05149k","","","0.71073","MoKα","","0.0828","0.0657","","","0.189","0.2036","","","","","","1.031","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215364","10.781","0.0005","15.8837","0.0007","25.1737","0.0011","90","","90","","90","","4310.8","0.3","185","2","185","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C39 H40 Mg3 N3 O21 -","- C39 H30 Mg3 N2 O20.65 -","- C156 H120 Mg12 N8 O82.6 -","4","1","","Su, Shengqun; Qin, Chao; Song, Shuyan; Guo, Zhiyong; Deng, Ruiping; Chen, Wan; Song, Xuezhi; Wang, Song; Li, Guanghua; Zhang, Hongjie","Three three-dimensional anionic metal‒organic frameworks with (4,8)-connected alb topology constructed from a semi-rigid ligand and polynuclear metal clusters","CrystEngComm","2011","13","20","6057","","10.1039/c1ce05149k","","","0.71073","MoKα","","0.098","0.073","","","0.1979","0.2232","","","","","","1.064","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215365","8.769","0.002","15.024","0.002","21.216","0.002","94.818","0.003","99.983","0.005","98.226","0.006","2707.4","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H35 Cl6 N3 O6 P3 -","- C66 H35 Cl6 N3 O6 P3 -","- C132 H70 Cl12 N6 O12 P6 -","2","1","","Reynes, Mathias; Dautel, Olivier J.; Virieux, David; Flot, David; Moreau, Joël J. E.","Synthesis and crystal structure of tris(2,3-triphenylenedioxy)cyclotriphosphazene: a new clathration system","CrystEngComm","2011","13","20","6050","","10.1039/c1ce05529a","","","0.8726","synchrotron","","0.0762","0.0669","","","0.1895","0.1965","","","","","","1.043","","","","has coordinates,has disorder","180484","2020-10-21","18:00:00",""
"7215366","14.909","0.002","31.013","0.004","9.074","0.001","90","","102.12","0.007","90","","4102.1","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H30 N3 O6 P3 -","- C54 H30 N3 O6 P3 -","- C216 H120 N12 O24 P12 -","4","1","","Reynes, Mathias; Dautel, Olivier J.; Virieux, David; Flot, David; Moreau, Joël J. E.","Synthesis and crystal structure of tris(2,3-triphenylenedioxy)cyclotriphosphazene: a new clathration system","CrystEngComm","2011","13","20","6050","","10.1039/c1ce05529a","","","0.8726","synchrotron","","0.05","0.0401","","","0.1028","0.1081","","","","","","1.027","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215367","17.3759","0.0007","19.6161","0.0012","12.153","0.0004","90","","128.409","0.002","90","","3245.9","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 Co4 N4 O17 -","- C28 H24 Co4 N4 O17 -","- C112 H96 Co16 N16 O68 -","4","0.5","","Chen, Jing; Feng, Yun-Long; Jiang, Zhan-Guo; Cheng, Jian-Wen","Two unusual binodal highly-connected 3D networks constructed with mutiflexible ligands","CrystEngComm","2011","13","20","6071","","10.1039/c1ce05259d","","","0.71073","MoKα","","","0.0422","","","0.113","0.1231","","","","","","1.035","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215368","11.2742","0.0002","20.1605","0.0004","12.0927","0.0002","90","","116.682","0.001","90","","2455.9","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H47 Co4 N8 O19.5 -","- C40 H47 Co4 N8 O19.5 -","- C80 H94 Co8 N16 O39 -","2","0.5","","Chen, Jing; Feng, Yun-Long; Jiang, Zhan-Guo; Cheng, Jian-Wen","Two unusual binodal highly-connected 3D networks constructed with mutiflexible ligands","CrystEngComm","2011","13","20","6071","","10.1039/c1ce05259d","","","0.71073","MoKα","","","0.069","","","0.2401","0.3287","","","","","","1.04","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7215369","10.0028","0.0011","11.9202","0.0013","14.3524","0.0016","99.776","0.001","102.13","0.001","110.143","0.002","1515.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H31.2 Cu2 N6 O11.6 -","- C20 H30 Cu2 N6 O11 -","- C40 H60 Cu4 N12 O22 -","2","1","","Hao, Yongjing; Wu, Biao; Li, Shaoguang; Liu, Bin; Jia, Chuandong; Huang, Xiaojuan; Yang, Xiao-Juan","One-dimensional coordination polymers of a flexible bis(pyridylurea) ligand","CrystEngComm","2011","13","20","6285","","10.1039/c1ce05662j","","","0.71073","MoKα","","0.0644","0.0408","","","0.1041","0.1152","","","","","","1.094","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215370","24.55","0.018","15.285","0.011","14.484","0.01","90","","122.935","0.01","90","","4562","6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H54 Cu N12 O13 -","- C35 H50 Cu N12 O13 -","- C140 H200 Cu4 N48 O52 -","4","0.5","","Hao, Yongjing; Wu, Biao; Li, Shaoguang; Liu, Bin; Jia, Chuandong; Huang, Xiaojuan; Yang, Xiao-Juan","One-dimensional coordination polymers of a flexible bis(pyridylurea) ligand","CrystEngComm","2011","13","20","6285","","10.1039/c1ce05662j","","","0.71073","MoKα","","0.1313","0.0635","","","0.182","0.2222","","","","","","1.032","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215371","8.966","0.002","10.949","0.003","11.62","0.003","100.988","0.003","98.286","0.003","102.071","0.003","1074.8","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H25 Cl Cu0.5 N7 O4 -","- C17 H18 Cl Cu0.5 N7 O4 -","- C34 H36 Cl2 Cu N14 O8 -","2","1","","Hao, Yongjing; Wu, Biao; Li, Shaoguang; Liu, Bin; Jia, Chuandong; Huang, Xiaojuan; Yang, Xiao-Juan","One-dimensional coordination polymers of a flexible bis(pyridylurea) ligand","CrystEngComm","2011","13","20","6285","","10.1039/c1ce05662j","","","0.71073","MoKα","","0.1528","0.1219","","","0.3642","0.3833","","","","","","1.119","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7215372","11.8981","0.0003","16.9246","0.0005","19.3535","0.0005","90","","125.174","0.002","90","","3185.62","0.17","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H76 Co2 N18 O26 S2 -","- C44 H76 Co2 N18 O26 S2 -","- C88 H152 Co4 N36 O52 S4 -","2","0.5","","Hao, Yongjing; Wu, Biao; Li, Shaoguang; Liu, Bin; Jia, Chuandong; Huang, Xiaojuan; Yang, Xiao-Juan","One-dimensional coordination polymers of a flexible bis(pyridylurea) ligand","CrystEngComm","2011","13","20","6285","","10.1039/c1ce05662j","","","0.71073","MoKα","","0.0834","0.0534","","","0.1559","0.1741","","","","","","1.058","","","","has coordinates,has disorder","180484","2020-10-21","18:00:00",""
"7215373","22.5556","0.0007","8.7941","0.0002","16.2863","0.0004","90","","100.318","0.003","90","","3178.25","0.15","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H32 N4 O4 Zn -","- C34 H32 N4 O4 Zn -","- C136 H128 N16 O16 Zn4 -","4","0.5","","Liu, Ying-Ying; Jiang, Ying-Yin; Yang, Jin; Liu, Yun-Yu; Ma, Jian-Fang","Syntheses, structures and photoluminescence of zinc(ii) and silver(I) coordination polymers based on 1,1′-(1,4-butanediyl)bis(2-methylbenzimidazole) and different carboxylate ligands","CrystEngComm","2011","13","20","6118","","10.1039/c0ce00990c","","","0.71073","MoKα","","0.0762","0.0578","","","0.1769","0.1875","","","","","","0.994","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215374","22.4668","0.001","8.6151","0.0003","16.9974","0.0006","90","","102.055","0.004","90","","3217.4","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H32 N4 O6 Zn -","- C34 H32 N4 O6 Zn -","- C136 H128 N16 O24 Zn4 -","4","0.5","","Liu, Ying-Ying; Jiang, Ying-Yin; Yang, Jin; Liu, Yun-Yu; Ma, Jian-Fang","Syntheses, structures and photoluminescence of zinc(ii) and silver(I) coordination polymers based on 1,1′-(1,4-butanediyl)bis(2-methylbenzimidazole) and different carboxylate ligands","CrystEngComm","2011","13","20","6118","","10.1039/c0ce00990c","","","0.71073","MoKα","","0.1081","0.0633","","","0.1629","0.1798","","","","","","0.952","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215375","18.6361","0.0005","13.5949","0.0009","12.7863","0.0006","90","","90","","90","","3239.5","0.3","293","2","293","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C34 H30 N6 O8 Zn -","- C34 H30 N6 O8 Zn -","- C136 H120 N24 O32 Zn4 -","4","0.5","","Liu, Ying-Ying; Jiang, Ying-Yin; Yang, Jin; Liu, Yun-Yu; Ma, Jian-Fang","Syntheses, structures and photoluminescence of zinc(ii) and silver(I) coordination polymers based on 1,1′-(1,4-butanediyl)bis(2-methylbenzimidazole) and different carboxylate ligands","CrystEngComm","2011","13","20","6118","","10.1039/c0ce00990c","","","0.71073","MoKα","","0.1512","0.048","","","0.0802","0.0906","","","","","","0.853","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215376","8.8418","0.0003","9.512","0.0004","9.6826","0.0004","85.966","0.004","87.778","0.003","78.915","0.003","796.9","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H34 N6 O6 Zn -","- C32 H34 N6 O6 Zn -","- C32 H34 N6 O6 Zn -","1","0.5","","Liu, Ying-Ying; Jiang, Ying-Yin; Yang, Jin; Liu, Yun-Yu; Ma, Jian-Fang","Syntheses, structures and photoluminescence of zinc(ii) and silver(I) coordination polymers based on 1,1′-(1,4-butanediyl)bis(2-methylbenzimidazole) and different carboxylate ligands","CrystEngComm","2011","13","20","6118","","10.1039/c0ce00990c","","","0.71073","MoKα","","0.0776","0.0676","","","0.192","0.2034","","","","","","0.969","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215377","9.8","0.003","12.756","0.006","16.818","0.005","71.521","0.003","88.204","0.002","70.909","0.005","1878.2","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H28 N8 O12 Zn -","- C34 H28 N8 O12 Zn -","- C68 H56 N16 O24 Zn2 -","2","1","","Liu, Ying-Ying; Jiang, Ying-Yin; Yang, Jin; Liu, Yun-Yu; Ma, Jian-Fang","Syntheses, structures and photoluminescence of zinc(ii) and silver(I) coordination polymers based on 1,1′-(1,4-butanediyl)bis(2-methylbenzimidazole) and different carboxylate ligands","CrystEngComm","2011","13","20","6118","","10.1039/c0ce00990c","","","0.71069","MoKα","","0.0998","0.0811","","","0.2252","0.2414","","","","","","1.102","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215378","10.4659","0.0002","14.632","0.0004","16.5116","0.0004","90","","90","","90","","2528.54","0.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 N4 O4 Zn -","- C28 H26 N4 O4 Zn -","- C112 H104 N16 O16 Zn4 -","4","1","","Liu, Ying-Ying; Jiang, Ying-Yin; Yang, Jin; Liu, Yun-Yu; Ma, Jian-Fang","Syntheses, structures and photoluminescence of zinc(ii) and silver(I) coordination polymers based on 1,1′-(1,4-butanediyl)bis(2-methylbenzimidazole) and different carboxylate ligands","CrystEngComm","2011","13","20","6118","","10.1039/c0ce00990c","","","0.71073","MoKα","","0.0895","0.0643","","","0.1738","0.1844","","","","","","1.01","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215379","8.7123","0.0005","9.9185","0.0005","11.6794","0.0009","69.257","0.006","70.439","0.006","65.82","0.006","839.46","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H17 N2 O5 Zn -","- C18 H17 N2 O5 Zn -","- C36 H34 N4 O10 Zn2 -","2","1","","Liu, Ying-Ying; Jiang, Ying-Yin; Yang, Jin; Liu, Yun-Yu; Ma, Jian-Fang","Syntheses, structures and photoluminescence of zinc(ii) and silver(I) coordination polymers based on 1,1′-(1,4-butanediyl)bis(2-methylbenzimidazole) and different carboxylate ligands","CrystEngComm","2011","13","20","6118","","10.1039/c0ce00990c","","","0.71073","MoKα","","0.0807","0.0574","","","0.1553","0.1655","","","","","","0.98","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215380","10.8685","0.0003","16.3185","0.0004","8.5098","0.0002","90","","90.088","0.002","90","","1509.28","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N2 O5 Zn -","- C14 H15 N2 O5 Zn -","- C56 H60 N8 O20 Zn4 -","4","1","","Liu, Ying-Ying; Jiang, Ying-Yin; Yang, Jin; Liu, Yun-Yu; Ma, Jian-Fang","Syntheses, structures and photoluminescence of zinc(ii) and silver(I) coordination polymers based on 1,1′-(1,4-butanediyl)bis(2-methylbenzimidazole) and different carboxylate ligands","CrystEngComm","2011","13","20","6118","","10.1039/c0ce00990c","","","0.71073","MoKα","","0.0843","0.0607","","","0.1823","0.1971","","","","","","1.008","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215381","10.3571","0.0002","16.6387","0.0004","15.4241","0.0004","90","","98.106","0.002","90","","2631.46","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H28 Ag2 N4 O5 -","- C28 H28 Ag2 N4 O5 -","- C112 H112 Ag8 N16 O20 -","4","1","","Liu, Ying-Ying; Jiang, Ying-Yin; Yang, Jin; Liu, Yun-Yu; Ma, Jian-Fang","Syntheses, structures and photoluminescence of zinc(ii) and silver(I) coordination polymers based on 1,1′-(1,4-butanediyl)bis(2-methylbenzimidazole) and different carboxylate ligands","CrystEngComm","2011","13","20","6118","","10.1039/c0ce00990c","","","0.71073","MoKα","","0.0711","0.0331","","","0.062","0.0676","","","","","","0.823","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215382","9.7504","0.0008","9.8666","0.0008","10.0927","0.0007","92.064","0.006","114.696","0.007","119.342","0.009","732.59","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H17 Ag N2 O4 -","- C14 H17 Ag N2 O4 -","- C28 H34 Ag2 N4 O8 -","2","1","","Liu, Ying-Ying; Jiang, Ying-Yin; Yang, Jin; Liu, Yun-Yu; Ma, Jian-Fang","Syntheses, structures and photoluminescence of zinc(ii) and silver(I) coordination polymers based on 1,1′-(1,4-butanediyl)bis(2-methylbenzimidazole) and different carboxylate ligands","CrystEngComm","2011","13","20","6118","","10.1039/c0ce00990c","","","0.71073","MoKα","","0.0953","0.0395","","","0.0657","0.0735","","","","","","0.833","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215383","11.6759","0.0003","13.2549","0.0004","19.194","0.0005","87.414","0.002","85.056","0.002","86.352","0.002","2951.12","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C98 H111 Ag5 N18 O13 -","- C98 H100 Ag5 N18 O13 -","- C98 H100 Ag5 N18 O13 -","1","0.5","","Liu, Ying-Ying; Jiang, Ying-Yin; Yang, Jin; Liu, Yun-Yu; Ma, Jian-Fang","Syntheses, structures and photoluminescence of zinc(ii) and silver(I) coordination polymers based on 1,1′-(1,4-butanediyl)bis(2-methylbenzimidazole) and different carboxylate ligands","CrystEngComm","2011","13","20","6118","","10.1039/c0ce00990c","","","0.71073","MoKα","","0.1365","0.0601","","","0.1574","0.1791","","","","","","0.841","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215384","21.091","0.006","8.2252","0.0018","10.579","0.003","90","","120.686","0.005","90","","1578.2","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H18 Cu N6 O6 -","- C10 H18 Cu N6 O6 -","- C40 H72 Cu4 N24 O24 -","4","0.5","","Zhu, Xia; Wang, Li-Yan; Liu, Xun-Gao; Wang, Ju; Li, Bao-Long; Li, Hai-Yan","Structural versatility of seven copper(ii) coordination polymers constructed with the long flexible ligand 1,4-bis(1,2,4-triazol-1-yl)butane","CrystEngComm","2011","13","20","6090","","10.1039/c1ce05466j","","","0.7107","MoKα","","0.0341","0.0314","","","0.0791","0.0815","","","","","","1.062","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215385","7.4564","0.0013","17.654","0.003","8.7158","0.0016","90","","114.808","0.003","90","","1041.4","0.3","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 Cl2 Cu N12 -","- C16 H24 Cl2 Cu N12 -","- C32 H48 Cl4 Cu2 N24 -","2","0.5","","Zhu, Xia; Wang, Li-Yan; Liu, Xun-Gao; Wang, Ju; Li, Bao-Long; Li, Hai-Yan","Structural versatility of seven copper(ii) coordination polymers constructed with the long flexible ligand 1,4-bis(1,2,4-triazol-1-yl)butane","CrystEngComm","2011","13","20","6090","","10.1039/c1ce05466j","","","0.71073","MoKα","","0.0331","0.0305","","","0.0784","0.0799","","","","","","1.076","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215386","9.565","0.002","8.5582","0.0019","9.4197","0.0017","90","","106.288","0.005","90","","740.1","0.3","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 Cu N8 S2 -","- C10 H12 Cu N8 S2 -","- C20 H24 Cu2 N16 S4 -","2","0.5","","Zhu, Xia; Wang, Li-Yan; Liu, Xun-Gao; Wang, Ju; Li, Bao-Long; Li, Hai-Yan","Structural versatility of seven copper(ii) coordination polymers constructed with the long flexible ligand 1,4-bis(1,2,4-triazol-1-yl)butane","CrystEngComm","2011","13","20","6090","","10.1039/c1ce05466j","","","0.7107","MoKα","","0.0285","0.027","","","0.0748","0.076","","","","","","1.074","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215387","13.143","0.002","17.513","0.003","25.348","0.004","90","","90","","90","","5834.4","1.6","223","2","223","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C16 H28 Cl2 Cu N12 O10 -","- C16 H28 Cl2 Cu N12 O9.98 -","- C128 H224 Cl16 Cu8 N96 O79.84 -","8","0.25","","Zhu, Xia; Wang, Li-Yan; Liu, Xun-Gao; Wang, Ju; Li, Bao-Long; Li, Hai-Yan","Structural versatility of seven copper(ii) coordination polymers constructed with the long flexible ligand 1,4-bis(1,2,4-triazol-1-yl)butane","CrystEngComm","2011","13","20","6090","","10.1039/c1ce05466j","","","0.7107","MoKα","","0.0554","0.0539","","","0.1541","0.1555","","","","","","1.099","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215388","12.887","0.002","17.043","0.003","24.799","0.004","90","","90","","90","","5446.7","1.6","193","2","193","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C16 H28 Cu N14 O8 -","- C16 H28 Cu N14 O8 -","- C128 H224 Cu8 N112 O64 -","8","0.25","","Zhu, Xia; Wang, Li-Yan; Liu, Xun-Gao; Wang, Ju; Li, Bao-Long; Li, Hai-Yan","Structural versatility of seven copper(ii) coordination polymers constructed with the long flexible ligand 1,4-bis(1,2,4-triazol-1-yl)butane","CrystEngComm","2011","13","20","6090","","10.1039/c1ce05466j","","","0.7107","MoKα","","0.0758","0.0726","","","0.2078","0.2107","","","","","","1.315","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215389","16.103","0.004","8.6062","0.0019","13.525","0.003","90","","112.305","0.005","90","","1734.1","0.7","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 Cu N6 O4 -","- C16 H16 Cu N6 O4 -","- C64 H64 Cu4 N24 O16 -","4","0.5","","Zhu, Xia; Wang, Li-Yan; Liu, Xun-Gao; Wang, Ju; Li, Bao-Long; Li, Hai-Yan","Structural versatility of seven copper(ii) coordination polymers constructed with the long flexible ligand 1,4-bis(1,2,4-triazol-1-yl)butane","CrystEngComm","2011","13","20","6090","","10.1039/c1ce05466j","","","0.7107","MoKα","","0.0378","0.0335","","","0.0892","0.0924","","","","","","1.02","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215390","7.5798","0.0009","8.7849","0.0001","19.056","0.003","94.154","0.011","96.89","","112.58","0.008","1153.4","0.2","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H24.5 Cu2 N6 O12.5 -","- C19 H24 Cu2 N6 O12.5 -","- C38 H48 Cu4 N12 O25 -","2","1","","Zhu, Xia; Wang, Li-Yan; Liu, Xun-Gao; Wang, Ju; Li, Bao-Long; Li, Hai-Yan","Structural versatility of seven copper(ii) coordination polymers constructed with the long flexible ligand 1,4-bis(1,2,4-triazol-1-yl)butane","CrystEngComm","2011","13","20","6090","","10.1039/c1ce05466j","","","0.7107","MoKα","","0.0649","0.0483","","","0.12","0.1315","","","","","","1.075","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215391","33.747","0.007","12.808","0.003","14.155","0.003","90","","102.27","0.03","90","","5978","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H40 Fe5 N3 O24 -","- C41 H40 Fe5 N3 O24 -","- C164 H160 Fe20 N12 O96 -","4","0.5","","Li, Yun-Wu; Zhao, Jiong-Peng; Wang, Li-Fu; Bu, Xian-He","An Fe-based MOF constructed from paddle-wheel and rod-shaped SBUs involved in situ generated acetate","CrystEngComm","2011","13","20","6002","","10.1039/c1ce05470h","","","0.71073","MoKα","","0.0992","0.0717","","","0.1679","0.1829","","","","","","1.023","","","","has coordinates,has disorder","180484","2020-10-21","18:00:00",""
"7215392","7.3135","0.0004","7.3135","0.0004","16.4964","0.0019","90","","90","","120","","764.14","0.11","291","2","291","2","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- C10 H8 N4 S -","- C10 H8 N4 S -","- C30 H24 N12 S3 -","3","0.5","","Fu, Shu-Jun; Wang, Li; Tao, Tao; Hu, Bin; Huang, Wei; You, Xiao-Zeng","Zinc(ii) and cadmium(ii) coordination polymers mediated by rationally designed symmetrical/asymmetrical V-shaped heterocyclic aromatic ligands exhibiting different supramolecular architectures","CrystEngComm","2011","13","20","6192","","10.1039/c1ce05516j","","","0.71073","MoKα","","0.0334","0.0322","","","0.0855","0.0871","","","","","","1.047","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215393","6.969","0.003","7.073","0.003","9.075","0.004","92.827","0.005","106.248","0.004","99.958","0.006","420.7","0.3","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H5 Br N2 S -","- C7 H5 Br N2 S -","- C14 H10 Br2 N4 S2 -","2","1","","Fu, Shu-Jun; Wang, Li; Tao, Tao; Hu, Bin; Huang, Wei; You, Xiao-Zeng","Zinc(ii) and cadmium(ii) coordination polymers mediated by rationally designed symmetrical/asymmetrical V-shaped heterocyclic aromatic ligands exhibiting different supramolecular architectures","CrystEngComm","2011","13","20","6192","","10.1039/c1ce05516j","","","0.71073","MoKα","","0.0839","0.0726","","","0.1721","0.1822","","","","","","0.904","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215394","23.8364","0.0008","23.8364","0.0008","26.589","0.002","90","","90","","120","","13083.2","1.2","291","2","291","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C72 H54 Cl6 N18 O25 S6 Zn3 -","- C72 H54 Cl6 N18 O25 S6 Zn3 -","- C432 H324 Cl36 N108 O150 S36 Zn18 -","6","0.166667","","Fu, Shu-Jun; Wang, Li; Tao, Tao; Hu, Bin; Huang, Wei; You, Xiao-Zeng","Zinc(ii) and cadmium(ii) coordination polymers mediated by rationally designed symmetrical/asymmetrical V-shaped heterocyclic aromatic ligands exhibiting different supramolecular architectures","CrystEngComm","2011","13","20","6192","","10.1039/c1ce05516j","","","0.71073","MoKα","","0.0647","0.0407","","","0.1004","0.1071","","","","","","0.935","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215395","8.1844","0.0004","9.6968","0.0005","15.7097","0.0008","90","","104.448","0.001","90","","1207.33","0.11","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Cd Cl2 N6 S2 -","- C24 H18 Cd Cl2 N6 S2 -","- C48 H36 Cd2 Cl4 N12 S4 -","2","0.5","","Fu, Shu-Jun; Wang, Li; Tao, Tao; Hu, Bin; Huang, Wei; You, Xiao-Zeng","Zinc(ii) and cadmium(ii) coordination polymers mediated by rationally designed symmetrical/asymmetrical V-shaped heterocyclic aromatic ligands exhibiting different supramolecular architectures","CrystEngComm","2011","13","20","6192","","10.1039/c1ce05516j","","","0.71073","MoKα","","0.0268","0.0215","","","0.0473","0.049","","","","","","0.944","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215396","9.0358","0.001","15.9866","0.0017","12.5425","0.0016","90","","116.04","0.001","90","","1627.9","0.3","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H32 N10 O10 S2 Zn -","- C24 H32 N10 O10 S2 Zn -","- C48 H64 N20 O20 S4 Zn2 -","2","0.5","","Fu, Shu-Jun; Wang, Li; Tao, Tao; Hu, Bin; Huang, Wei; You, Xiao-Zeng","Zinc(ii) and cadmium(ii) coordination polymers mediated by rationally designed symmetrical/asymmetrical V-shaped heterocyclic aromatic ligands exhibiting different supramolecular architectures","CrystEngComm","2011","13","20","6192","","10.1039/c1ce05516j","","","0.71073","MoKα","","0.0376","0.0288","","","0.0672","0.0698","","","","","","0.953","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215397","9.0887","0.0008","16.3768","0.0015","12.6796","0.0014","90","","116.015","0.001","90","","1696.1","0.3","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H32 Cd N10 O10 S2 -","- C24 H32 Cd N10 O10 S2 -","- C48 H64 Cd2 N20 O20 S4 -","2","0.5","","Fu, Shu-Jun; Wang, Li; Tao, Tao; Hu, Bin; Huang, Wei; You, Xiao-Zeng","Zinc(ii) and cadmium(ii) coordination polymers mediated by rationally designed symmetrical/asymmetrical V-shaped heterocyclic aromatic ligands exhibiting different supramolecular architectures","CrystEngComm","2011","13","20","6192","","10.1039/c1ce05516j","","","0.71073","MoKα","","0.0478","0.0312","","","0.0529","0.0561","","","","","","0.845","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215398","24.0813","0.0015","16.5778","0.0007","28.3107","0.0018","90","","100.055","0.003","90","","11128.5","1.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C120 H99 N6 O25.5 Pr2 S6 -","- C120 H84 N6 O25.5 Pr2 S6 -","- C480 H336 N24 O102 Pr8 S24 -","4","1","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","New luminescent complexes for recognition and reversible sensing small molecules","CrystEngComm","2011","13","20","6007","","10.1039/c1ce05382e","","","0.71073","MoKα","","0.0892","0.0636","","","0.1462","0.1656","","","","","","1.133","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215399","10.842","0.003","11.194","0.003","14.953","0.005","93.155","0.003","96.372","0.003","102.207","0.006","1757","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H30 Mn N2 O7 S2 -","- C40 H30 Mn N2 O7 S2 -","- C80 H60 Mn2 N4 O14 S4 -","2","1","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","New luminescent complexes for recognition and reversible sensing small molecules","CrystEngComm","2011","13","20","6007","","10.1039/c1ce05382e","","","0.71073","MoKα","","0.0509","0.0417","","","0.1147","0.1233","","","","","","1.053","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215400","32.782","0.002","16.6144","0.0013","17.8662","0.0013","90","","90","","90","","9730.9","1.2","291","2","291","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C95 H91 Cd4 N9 O25 -","- C95 H91 Cd4 N9 O25 -","- C380 H364 Cd16 N36 O100 -","4","0.5","","Zhang, Jun; Xue, Yun-Shan; Bai, Jing; Fang, Min; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng","An unprecedented (3,7)-connected microporous solvatochromic coordination polymer built on a semirigid tripod pyridinium-4-olate ligand","CrystEngComm","2011","13","20","6010","","10.1039/c1ce05888f","","","0.71073","MoKα","","0.1005","0.0606","","","0.1374","0.1462","","","","","","1.045","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215401","11.1225","0.0017","6.2139","0.001","15.089","0.002","90","","94.651","0.002","90","","1039.4","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H16 Na2 O20 S2 Zn3 -","- C8 H16 Na2 O20 S2 Zn3 -","- C16 H32 Na4 O40 S4 Zn6 -","2","0.5","","Liu, Qing-Yan; Li, Li-Qin; Wang, Yu-Ling; Yang, Er-Ler; Wei, Jia-Jia; Fu, Jiang-Hong","New heterometallic frameworks with flexible sulfonate-carboxylate ligand: syntheses, structures, and properties","CrystEngComm","2011","13","20","6150","","10.1039/c1ce05561e","","","0.71073","MoKα","","0.0398","0.0285","","","0.0664","0.072","","","","","","1.023","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215402","10.0335","0.0017","16.02","0.003","12.195","0.002","90","","101.566","0.002","90","","1920.4","0.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H26 Na8 O35 S4 Zn2 -","- C16 H12 Na8 O35 S4 Zn2 -","- C32 H24 Na16 O70 S8 Zn4 -","2","0.5","","Liu, Qing-Yan; Li, Li-Qin; Wang, Yu-Ling; Yang, Er-Ler; Wei, Jia-Jia; Fu, Jiang-Hong","New heterometallic frameworks with flexible sulfonate-carboxylate ligand: syntheses, structures, and properties","CrystEngComm","2011","13","20","6150","","10.1039/c1ce05561e","","","0.71073","MoKα","","0.1077","0.0526","","","0.1055","0.1228","","","","","","1.008","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7215403","12.1286","0.0013","12.9525","0.0013","20.782","0.002","90","","90","","90","","3264.8","0.6","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H15 N2 O7.5 P2 Zn -","- C12 H15 N2 O7.5 P2 Zn -","- C96 H120 N16 O60 P16 Zn8 -","8","1","","Wang, Wei-Nan; Sun, Zhen-Gang; Zhu, Yan-Yu; Dong, Da-Peng; Li, Jing; Tong, Fei; Huang, Cui-Ying; Chen, Kai; Li, Chao; Jiao, Cheng-Qi; Wang, Cheng-Lin","Hydrothermal synthesis, structures, and luminescent properties of four new zinc(ii) diphosphonate hybrids with mixed ligands","CrystEngComm","2011","13","20","6099","","10.1039/c1ce05291h","","","0.71073","MoKα","","0.0578","0.0368","","","0.0787","0.0881","","","","","","1.013","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215404","8.1777","0.0009","10.4708","0.0012","11.0725","0.0013","112.385","0.001","101.403","0.001","90.107","0.001","856.24","0.17","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H16 N2 O8 P2 Zn -","- C14 H16 N2 O8 P2 Zn -","- C28 H32 N4 O16 P4 Zn2 -","2","1","","Wang, Wei-Nan; Sun, Zhen-Gang; Zhu, Yan-Yu; Dong, Da-Peng; Li, Jing; Tong, Fei; Huang, Cui-Ying; Chen, Kai; Li, Chao; Jiao, Cheng-Qi; Wang, Cheng-Lin","Hydrothermal synthesis, structures, and luminescent properties of four new zinc(ii) diphosphonate hybrids with mixed ligands","CrystEngComm","2011","13","20","6099","","10.1039/c1ce05291h","","","0.71073","MoKα","","0.0507","0.0395","","","0.0954","0.1017","","","","","","1.034","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215405","7.5131","0.0007","18.2935","0.0018","18.7247","0.0018","90","","90","","90","","2573.5","0.4","295","2","295","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C8 H9.5 N O7.5 P2 Zn -","- C8 H9.5 N O7.5 P2 Zn -","- C64 H76 N8 O60 P16 Zn8 -","8","1","","Wang, Wei-Nan; Sun, Zhen-Gang; Zhu, Yan-Yu; Dong, Da-Peng; Li, Jing; Tong, Fei; Huang, Cui-Ying; Chen, Kai; Li, Chao; Jiao, Cheng-Qi; Wang, Cheng-Lin","Hydrothermal synthesis, structures, and luminescent properties of four new zinc(ii) diphosphonate hybrids with mixed ligands","CrystEngComm","2011","13","20","6099","","10.1039/c1ce05291h","","","0.71073","MoKα","","0.0351","0.0288","","","0.0769","0.0805","","","","","","1.044","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215406","13.7837","0.0018","7.1911","0.001","16.257","0.002","90","","96.81","0.002","90","","1600","0.4","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 N2 O7 P2 Zn -","- C14 H14 N2 O7 P2 Zn -","- C56 H56 N8 O28 P8 Zn4 -","4","1","","Wang, Wei-Nan; Sun, Zhen-Gang; Zhu, Yan-Yu; Dong, Da-Peng; Li, Jing; Tong, Fei; Huang, Cui-Ying; Chen, Kai; Li, Chao; Jiao, Cheng-Qi; Wang, Cheng-Lin","Hydrothermal synthesis, structures, and luminescent properties of four new zinc(ii) diphosphonate hybrids with mixed ligands","CrystEngComm","2011","13","20","6099","","10.1039/c1ce05291h","","","0.71073","MoKα","","0.0565","0.0382","","","0.084","0.0906","","","","","","1.045","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215407","17.57","0.02","15.185","0.007","13.384","0.008","90","","118.595","0.006","90","","3135","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 Cu3 I2 N5 -","- C12 H8 Cu3 I2 N5 -","- C96 H64 Cu24 I16 N40 -","8","1","","Fang, Zhen-Lan; He, Jian-Gang; Yu, Rong-Min; Wu, Xiao-Yuan; Lu, Can-Zhong","One novel complex obtained through copper-mediated conversion of 2,5-bis(3-pyridyl)-1,3,4-oxadiazole: structure, in situ formation of ligand, and luminescence properties","CrystEngComm","2011","13","20","6243","","10.1039/c1ce05440f","","","0.71073","MoKα","","0.0687","0.0596","","","0.1602","0.1699","","","","","","1.066","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215408","24.61","0.005","18.555","0.004","8.2379","0.0016","90","","96.896","0.003","90","","3734.5","1.3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H40 N6 Ni O13 Pd -","- C24 H34 N6 Ni O12 Pd -","- C96 H136 N24 Ni4 O48 Pd4 -","4","0.5","","Huang, Sheng-Li; Jin, Guo-Xin","Selective CO2 capture by a 3d‒4d coordination polymer material with 1D channel","CrystEngComm","2011","13","20","6013","","10.1039/c1ce05474k","","","0.71073","MoKα","","0.1114","0.0571","","","0.1386","0.1545","","","","","","0.969","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215409","25.379","0.003","17.642","0.004","16.484","0.005","90","","90","","90","","7380","3","300","","300","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C26 H33 N2 Ni O6 S10 -","- C26 H33 N2 Ni O6 S10 -","- C208 H264 N16 Ni8 O48 S80 -","8","1","","Ye, Qiong; Akutagawa, Tomoyuki; Ye, Heng-Yun; Hang, Tian; Ge, Jia-Zhen; Xiong, Ren-Gen; Noro, Shin-ichiro; Nakamura, Takayoshi","Structural phase transition due to the flexible supramolecule of (4-cyanomethylanilinium)([18]crown-6) in [Ni(dmit)2]− crystal","CrystEngComm","2011","13","20","6185","","10.1039/c1ce05581j","","","0.71075","MoKα","","","0.049","","","","0.1361","","","","","","1.043","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215410","16.075","0.003","25.415","0.004","35.366","0.005","90","","90","","90","","14449","4","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H31 N2 Ni O6 S10 -","- C26 H31 N2 Ni O6 S10 -","- C416 H496 N32 Ni16 O96 S160 -","16","4","","Ye, Qiong; Akutagawa, Tomoyuki; Ye, Heng-Yun; Hang, Tian; Ge, Jia-Zhen; Xiong, Ren-Gen; Noro, Shin-ichiro; Nakamura, Takayoshi","Structural phase transition due to the flexible supramolecule of (4-cyanomethylanilinium)([18]crown-6) in [Ni(dmit)2]− crystal","CrystEngComm","2011","13","20","6185","","10.1039/c1ce05581j","","","0.71075","MoKα","","0.1118","0.058","","","0.1154","0.1393","","","","","","0.924","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215411","24.303","0.01","10.137","0.004","18.744","0.013","90","","125.506","0.004","90","","3759","3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H26 Cl6 N4 O6 Zn -","- C38 H26 Cl6 N4 O6 Zn -","- C152 H104 Cl24 N16 O24 Zn4 -","4","0.5","","Sengupta, Satirtha; Goswami, Arijit; Ganguly, Sumi; Bala, Sukhen; Bhunia, Manas Kumar; Mondal, Raju","Influence of chloro⋯chloro interaction and π‒π stacking in 3D supramolecular framework construction","CrystEngComm","2011","13","20","6136","","10.1039/c1ce05345k","","","0.71073","MoKα","","0.1148","0.0504","","","0.1091","0.1415","","","","","","1.024","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215412","10.9481","0.0008","13.2205","0.0009","13.9222","0.0016","106.761","0.003","102.853","0.003","108.249","0.002","1720.6","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H36 Cl12 N8 O12 Zn4 -","- C68 H36 Cl12 N8 O12 Zn4 -","- C68 H36 Cl12 N8 O12 Zn4 -","1","0.5","","Sengupta, Satirtha; Goswami, Arijit; Ganguly, Sumi; Bala, Sukhen; Bhunia, Manas Kumar; Mondal, Raju","Influence of chloro⋯chloro interaction and π‒π stacking in 3D supramolecular framework construction","CrystEngComm","2011","13","20","6136","","10.1039/c1ce05345k","","","0.71073","MoKα","","0.0436","0.0299","","","0.0681","0.0719","","","","","","1.061","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215413","8.3392","0.0008","10.52","0.001","11.0835","0.0011","71.219","0.002","79.807","0.002","75.307","0.002","885.63","0.15","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H12 Cl3 N2 O4 Zn -","- C15 H12 Cl3 N2 O4 Zn -","- C30 H24 Cl6 N4 O8 Zn2 -","2","1","","Sengupta, Satirtha; Goswami, Arijit; Ganguly, Sumi; Bala, Sukhen; Bhunia, Manas Kumar; Mondal, Raju","Influence of chloro⋯chloro interaction and π‒π stacking in 3D supramolecular framework construction","CrystEngComm","2011","13","20","6136","","10.1039/c1ce05345k","","","0.71073","MoKα","","0.0484","0.0385","","","0.1093","0.1156","","","","","","1.092","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215414","20.5213","0.0011","9.4618","0.0005","16.9888","0.0009","90","","126.518","0.002","90","","2651.1","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H12 Cl6 N2 O6 Zn -","- C24 H12 Cl6 N2 O6 Zn -","- C96 H48 Cl24 N8 O24 Zn4 -","4","0.5","","Sengupta, Satirtha; Goswami, Arijit; Ganguly, Sumi; Bala, Sukhen; Bhunia, Manas Kumar; Mondal, Raju","Influence of chloro⋯chloro interaction and π‒π stacking in 3D supramolecular framework construction","CrystEngComm","2011","13","20","6136","","10.1039/c1ce05345k","","","0.71073","MoKα","","0.0705","0.0436","","","0.1002","0.1178","","","","","","1.09","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215415","14.4957","0.0005","8.8235","0.0003","23.1793","0.0008","90","","96.808","0.001","90","","2943.79","0.18","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H18 Cl6 N2 O6 Zn -","- C27 H18 Cl6 N2 O6 Zn -","- C108 H72 Cl24 N8 O24 Zn4 -","4","1","","Sengupta, Satirtha; Goswami, Arijit; Ganguly, Sumi; Bala, Sukhen; Bhunia, Manas Kumar; Mondal, Raju","Influence of chloro⋯chloro interaction and π‒π stacking in 3D supramolecular framework construction","CrystEngComm","2011","13","20","6136","","10.1039/c1ce05345k","","","0.71073","MoKα","","0.0578","0.0395","","","0.0892","0.0972","","","","","","1.056","","","","has coordinates,has disorder","180485","2020-10-21","18:00:00",""
"7215416","11.8373","0.0008","13.5119","0.0009","18.5484","0.0013","90","","106.514","0.002","90","","2844.3","0.3","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H35 Cl12 N4 O12 Zn2 -","- C54 H35 Cl12 N4 O12 Zn2 -","- C108 H70 Cl24 N8 O24 Zn4 -","2","0.5","","Sengupta, Satirtha; Goswami, Arijit; Ganguly, Sumi; Bala, Sukhen; Bhunia, Manas Kumar; Mondal, Raju","Influence of chloro⋯chloro interaction and π‒π stacking in 3D supramolecular framework construction","CrystEngComm","2011","13","20","6136","","10.1039/c1ce05345k","","","0.71073","MoKα","","0.1062","0.0635","","","0.1559","0.1817","","","","","","1.026","","","","has coordinates,has disorder","180485","2020-10-21","18:00:00",""
"7215417","13.6683","0.0005","13.6285","0.0005","15.1486","0.0006","90","","101.217","0.001","90","","2767.95","0.18","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H30 Cl12 N4 O14 Zn2 -","- C52 H30 Cl12 N4 O14 Zn2 -","- C104 H60 Cl24 N8 O28 Zn4 -","2","0.5","","Sengupta, Satirtha; Goswami, Arijit; Ganguly, Sumi; Bala, Sukhen; Bhunia, Manas Kumar; Mondal, Raju","Influence of chloro⋯chloro interaction and π‒π stacking in 3D supramolecular framework construction","CrystEngComm","2011","13","20","6136","","10.1039/c1ce05345k","","","0.71073","MoKα","","0.0648","0.0428","","","0.0918","0.0997","","","","","","1.032","","","","has coordinates,has disorder","180485","2020-10-21","18:00:00",""
"7215418","8.2531","0.0007","10.6582","0.001","12.4388","0.0011","73.757","0.002","73.122","0.002","76.445","0.002","991.16","0.15","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H9 Cl3 N2 O3 Zn -","- C17 H9 Cl3 N2 O3 Zn -","- C34 H18 Cl6 N4 O6 Zn2 -","2","1","","Sengupta, Satirtha; Goswami, Arijit; Ganguly, Sumi; Bala, Sukhen; Bhunia, Manas Kumar; Mondal, Raju","Influence of chloro⋯chloro interaction and π‒π stacking in 3D supramolecular framework construction","CrystEngComm","2011","13","20","6136","","10.1039/c1ce05345k","","","0.71073","MoKα","","0.037","0.0312","","","0.0765","0.0789","","","","","","1.054","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215419","9.1994","0.0006","10.5683","0.0007","13.8477","0.0009","80.486","0.002","78.545","0.002","65.856","0.002","1198.73","0.14","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H16 Cl3 N3 O3 Zn -","- C25 H16 Cl3 N3 O3 Zn -","- C50 H32 Cl6 N6 O6 Zn2 -","2","1","","Sengupta, Satirtha; Goswami, Arijit; Ganguly, Sumi; Bala, Sukhen; Bhunia, Manas Kumar; Mondal, Raju","Influence of chloro⋯chloro interaction and π‒π stacking in 3D supramolecular framework construction","CrystEngComm","2011","13","20","6136","","10.1039/c1ce05345k","","","0.71073","MoKα","","0.048","0.0396","","","0.0971","0.1004","","","","","","1.071","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215420","9.194","0.0004","10.532","0.0005","13.8552","0.0006","80.603","0.002","78.29","0.002","65.975","0.001","1195","0.09","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H16 Cl3 Co N3 O3 -","- C25 H16 Cl3 Co N3 O3 -","- C50 H32 Cl6 Co2 N6 O6 -","2","1","","Sengupta, Satirtha; Goswami, Arijit; Ganguly, Sumi; Bala, Sukhen; Bhunia, Manas Kumar; Mondal, Raju","Influence of chloro⋯chloro interaction and π‒π stacking in 3D supramolecular framework construction","CrystEngComm","2011","13","20","6136","","10.1039/c1ce05345k","","","0.71073","MoKα","","0.0578","0.0459","","","0.1113","0.1157","","","","","","1.041","","","","has coordinates,has disorder","180485","2020-10-21","18:00:00",""
"7215421","9.8694","0.0003","10.1833","0.0003","13.5295","0.0004","92.154","0.001","103.146","0.001","104.038","0.001","1278.37","0.07","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H17 Cl3 N4 Ni O6 -","- C25 H17 Cl3 N4 Ni O6 -","- C50 H34 Cl6 N8 Ni2 O12 -","2","1","","Sengupta, Satirtha; Goswami, Arijit; Ganguly, Sumi; Bala, Sukhen; Bhunia, Manas Kumar; Mondal, Raju","Influence of chloro⋯chloro interaction and π‒π stacking in 3D supramolecular framework construction","CrystEngComm","2011","13","20","6136","","10.1039/c1ce05345k","","","0.71073","MoKα","","0.0526","0.0363","","","0.0764","0.0826","","","","","","1.041","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215422","7.129","0.0003","12.148","0.0012","17.76","0.0013","90","","101.58","0.003","90","","1506.8","0.2","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 N2 O10 Zn -","- C12 H12 N2 O10 Zn -","- C48 H48 N8 O40 Zn4 -","4","1","","Wang, Kuaibing; Yin, Yuxin; Li, Chengying; Geng, Zhirong; Wang, Zhilin","Facile synthesis of zinc(ii)-carboxylate coordination polymer particles and their luminescent, biocompatible and antibacterial properties","CrystEngComm","2011","13","20","6231","","10.1039/c1ce05705g","","","0.71073","MoKα","","0.0672","0.052","","","0.1135","0.1169","","","","","","1.067","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215423","16.533","0.004","16.533","0.004","14.654","0.005","90","","90","","120","","3468.9","1.7","293","2","293","2","","","","","","","","4","P 62","P 62","171","","","","- C21 H31 N6 O4.5 -","- C21 H31 N6 O4.5 -","- C126 H186 N36 O27 -","6","1","","Hu, Dehui; Yang, Zhipei; Zhang, Guoqi; Liu, Min; Xiang, Junfeng; Liang, Tongling; Ma, Jinshi; Yang, Guoqiang","Self-complementary hydrogen-bonded duplexes and helices based on bis(pyrrolyl)carbohydrazide derivatives","CrystEngComm","2011","13","20","6021","","10.1039/c1ce05542a","","","0.71073","MoKα","","0.0797","0.0412","","","0.0803","0.091","","","","","","0.997","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7215424","12.094","0.004","12.534","0.004","18.268","0.006","75.307","0.004","71.083","0.005","78.421","0.005","2512.6","1.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H34 N6 O4.25 -","- C23 H34 N6 O4.25 -","- C92 H136 N24 O17 -","4","2","","Hu, Dehui; Yang, Zhipei; Zhang, Guoqi; Liu, Min; Xiang, Junfeng; Liang, Tongling; Ma, Jinshi; Yang, Guoqiang","Self-complementary hydrogen-bonded duplexes and helices based on bis(pyrrolyl)carbohydrazide derivatives","CrystEngComm","2011","13","20","6021","","10.1039/c1ce05542a","","","0.71073","MoKα","","0.136","0.0725","","","0.1998","0.2306","","","","","","1.044","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215425","10.579","0.002","19.247","0.004","30.125","0.006","90","","94.26","0.03","90","","6117","2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H46 N6 O6 -","- C29 H46 N6 O6 -","- C232 H368 N48 O48 -","8","2","","Hu, Dehui; Yang, Zhipei; Zhang, Guoqi; Liu, Min; Xiang, Junfeng; Liang, Tongling; Ma, Jinshi; Yang, Guoqiang","Self-complementary hydrogen-bonded duplexes and helices based on bis(pyrrolyl)carbohydrazide derivatives","CrystEngComm","2011","13","20","6021","","10.1039/c1ce05542a","","","0.71073","MoKα","","0.2043","0.0997","","","0.1681","0.1999","","","","","","1.032","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215426","17.69","0.003","18.545","0.004","22.889","0.005","71.7","0.03","82.55","0.03","77.24","0.03","6938","3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H54 N6 O6 -","- C33 H54 N6 O6 -","- C264 H432 N48 O48 -","8","4","","Hu, Dehui; Yang, Zhipei; Zhang, Guoqi; Liu, Min; Xiang, Junfeng; Liang, Tongling; Ma, Jinshi; Yang, Guoqiang","Self-complementary hydrogen-bonded duplexes and helices based on bis(pyrrolyl)carbohydrazide derivatives","CrystEngComm","2011","13","20","6021","","10.1039/c1ce05542a","","","0.71073","MoKα","","0.084","0.0643","","","0.1553","0.1737","","","","","","0.917","","","","has coordinates,has disorder","180485","2020-10-21","18:00:00",""
"7215427","13.8265","0.0008","14.2642","0.0008","25.1428","0.0014","90","","92.711","0.002","90","","4953.2","0.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H50 Cl K2 N21 O33 -","- C30 H34 Cl K2 N21 O33 -","- C120 H136 Cl4 K8 N84 O132 -","4","1","","Xiao, Xin; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang; Liu, Jing-Xin; Wei, Gang","Coordination polymers constructed from alkali metal ions and (HO)10cucurbit[5]uril","CrystEngComm","2011","13","11","3794","","10.1039/c1ce05162h","","","0.71073","MoKα","","0.0852","0.0764","","","0.2185","0.2276","","","","","","1.094","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215428","11.4458","0.0006","12.4198","0.0007","19.5596","0.0011","77.185","0.002","81.055","0.002","77.905","0.002","2633.7","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H52 Cl N20 O35 Rb3 S -","- C30 H38 Cl N20 O35 Rb3 S -","- C60 H76 Cl2 N40 O70 Rb6 S2 -","2","1","","Xiao, Xin; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang; Liu, Jing-Xin; Wei, Gang","Coordination polymers constructed from alkali metal ions and (HO)10cucurbit[5]uril","CrystEngComm","2011","13","11","3794","","10.1039/c1ce05162h","","","0.71073","MoKα","","0.1108","0.0937","","","0.2821","0.3013","","","","","","1.035","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215429","15.618","0.004","14.081","0.004","21.4","0.006","90","","100.475","0.003","90","","4628","2","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H40 Cs2 N20 O29 S -","- C30 H34 Cs2 N20 O29 S -","- C120 H136 Cs8 N80 O116 S4 -","4","0.5","","Xiao, Xin; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang; Liu, Jing-Xin; Wei, Gang","Coordination polymers constructed from alkali metal ions and (HO)10cucurbit[5]uril","CrystEngComm","2011","13","11","3794","","10.1039/c1ce05162h","","","0.71073","MoKα","","0.1012","0.0982","","","0.2481","0.2497","","","","","","1.248","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215430","7.1322","0.0015","11.26","0.003","18.161","0.004","86.072","0.003","79.964","0.003","72.88","0.002","1372.3","0.6","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C38 H34 Cu6 I5 N6 Na O21 Tb2 -","- C38 H34 Cu6 I5 N6 Na O21 Tb2 -","- C38 H34 Cu6 I5 N6 Na O21 Tb2 -","1","0.5","","Zeng, Rong-Hua; Peng, Guo; Qiu, Yong-Cai; Zheng, Sheng-Run; Li, Wei-Shan; Zhang, Wei-Xiong; Deng, Hong; Cai, Yue-Peng","Synthesis, crystal structures and properties of Ln(iii)‒Cu(i)‒Na(i) and Ln(iii)‒Ag(i) heterometallic coordination polymers","CrystEngComm","2011","13","11","3910","","10.1039/c0ce00929f","","","0.71073","MoKα","","0.058","0.0459","","","0.1113","0.1209","","","","","","1.005","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215431","8.765","0.0013","11.6593","0.0017","11.9268","0.0018","77.744","0.002","76.47","0.002","76.133","0.002","1134.6","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H30 Ag4 Ho2 N6 O26 -","- C34 H30 Ag4 Ho2 N6 O26 -","- C34 H30 Ag4 Ho2 N6 O26 -","1","0.5","","Zeng, Rong-Hua; Peng, Guo; Qiu, Yong-Cai; Zheng, Sheng-Run; Li, Wei-Shan; Zhang, Wei-Xiong; Deng, Hong; Cai, Yue-Peng","Synthesis, crystal structures and properties of Ln(iii)‒Cu(i)‒Na(i) and Ln(iii)‒Ag(i) heterometallic coordination polymers","CrystEngComm","2011","13","11","3910","","10.1039/c0ce00929f","","","0.71073","MoKα","","0.0521","0.0449","","","0.0983","0.1012","","","","","","1.197","","","","has coordinates,has disorder","180485","2020-10-21","18:00:00",""
"7215432","21.6736","0.0011","9.4185","0.0005","17.5251","0.0009","90","","109.379","0.001","90","","3374.8","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H10 Ag La N2 O9 -","- C14 H10 Ag La N2 O9 -","- C112 H80 Ag8 La8 N16 O72 -","8","1","","Zeng, Rong-Hua; Peng, Guo; Qiu, Yong-Cai; Zheng, Sheng-Run; Li, Wei-Shan; Zhang, Wei-Xiong; Deng, Hong; Cai, Yue-Peng","Synthesis, crystal structures and properties of Ln(iii)‒Cu(i)‒Na(i) and Ln(iii)‒Ag(i) heterometallic coordination polymers","CrystEngComm","2011","13","11","3910","","10.1039/c0ce00929f","","","0.71073","MoKα","","0.0352","0.0266","","","0.0544","0.0581","","","","","","1.024","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215433","8.7942","0.0015","11.6555","0.0019","11.946","0.002","77.532","0.002","76.519","0.002","76.058","0.002","1139","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H30 Ag4 Dy2 N6 O26 -","- C34 H30 Ag4 Dy2 N6 O26 -","- C34 H30 Ag4 Dy2 N6 O26 -","1","0.5","","Zeng, Rong-Hua; Peng, Guo; Qiu, Yong-Cai; Zheng, Sheng-Run; Li, Wei-Shan; Zhang, Wei-Xiong; Deng, Hong; Cai, Yue-Peng","Synthesis, crystal structures and properties of Ln(iii)‒Cu(i)‒Na(i) and Ln(iii)‒Ag(i) heterometallic coordination polymers","CrystEngComm","2011","13","11","3910","","10.1039/c0ce00929f","","","0.71073","MoKα","","0.0626","0.0563","","","0.1334","0.1366","","","","","","1.146","","","","has coordinates,has disorder","180485","2020-10-21","18:00:00",""
"7215434","7.1755","0.0007","11.4346","0.0012","18.3179","0.0019","86.188","0.001","78.88","0.001","73.573","0.001","1414.4","0.3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C38 H34 Cu6 I5 La2 N6 Na O21 -","- C38 H34 Cu6 I5 La2 N6 Na O21 -","- C38 H34 Cu6 I5 La2 N6 Na O21 -","1","0.5","","Zeng, Rong-Hua; Peng, Guo; Qiu, Yong-Cai; Zheng, Sheng-Run; Li, Wei-Shan; Zhang, Wei-Xiong; Deng, Hong; Cai, Yue-Peng","Synthesis, crystal structures and properties of Ln(iii)‒Cu(i)‒Na(i) and Ln(iii)‒Ag(i) heterometallic coordination polymers","CrystEngComm","2011","13","11","3910","","10.1039/c0ce00929f","","","0.71073","MoKα","","0.0588","0.0388","","","0.0681","0.0768","","","","","","1.016","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215435","21.893","0.004","9.2903","0.0017","17.243","0.003","90","","108.622","0.002","90","","3323.5","1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H10 Ag N2 O9 Tm -","- C14 H10 Ag N2 O9 Tm -","- C112 H80 Ag8 N16 O72 Tm8 -","8","1","","Zeng, Rong-Hua; Peng, Guo; Qiu, Yong-Cai; Zheng, Sheng-Run; Li, Wei-Shan; Zhang, Wei-Xiong; Deng, Hong; Cai, Yue-Peng","Synthesis, crystal structures and properties of Ln(iii)‒Cu(i)‒Na(i) and Ln(iii)‒Ag(i) heterometallic coordination polymers","CrystEngComm","2011","13","11","3910","","10.1039/c0ce00929f","","","0.71073","MoKα","","0.059","0.0499","","","0.1334","0.1394","","","","","","1.027","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215436","21.814","0.002","9.3193","0.0008","17.3133","0.0016","90","","108.9","0.001","90","","3329.9","0.5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H10 Ag N2 O9 Pr -","- C14 H10 Ag N2 O9 Pr -","- C112 H80 Ag8 N16 O72 Pr8 -","8","1","","Zeng, Rong-Hua; Peng, Guo; Qiu, Yong-Cai; Zheng, Sheng-Run; Li, Wei-Shan; Zhang, Wei-Xiong; Deng, Hong; Cai, Yue-Peng","Synthesis, crystal structures and properties of Ln(iii)‒Cu(i)‒Na(i) and Ln(iii)‒Ag(i) heterometallic coordination polymers","CrystEngComm","2011","13","11","3910","","10.1039/c0ce00929f","","","0.71073","MoKα","","0.0491","0.0328","","","0.0599","0.066","","","","","","1.006","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215437","7.1322","0.0015","11.26","0.003","18.161","0.004","86.072","0.003","79.964","0.003","72.88","0.002","1372.3","0.6","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C38 H34 Cu6 Eu2 I5 N6 Na O21 -","- C38 H34 Cu6 Eu2 I5 N6 Na O21 -","- C38 H34 Cu6 Eu2 I5 N6 Na O21 -","1","0.5","","Zeng, Rong-Hua; Peng, Guo; Qiu, Yong-Cai; Zheng, Sheng-Run; Li, Wei-Shan; Zhang, Wei-Xiong; Deng, Hong; Cai, Yue-Peng","Synthesis, crystal structures and properties of Ln(iii)‒Cu(i)‒Na(i) and Ln(iii)‒Ag(i) heterometallic coordination polymers","CrystEngComm","2011","13","11","3910","","10.1039/c0ce00929f","","","0.71073","MoKα","","0.0925","0.0558","","","0.1107","0.129","","","","","","0.972","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215438","7.1322","0.0015","11.26","0.003","18.161","0.004","86.072","0.003","79.964","0.003","72.88","0.002","1372.3","0.6","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C38 H34 Cu6 Gd2 I5 N6 Na O21 -","- C38 H34 Cu6 Gd2 I5 N6 Na O21 -","- C38 H34 Cu6 Gd2 I5 N6 Na O21 -","1","0.5","","Zeng, Rong-Hua; Peng, Guo; Qiu, Yong-Cai; Zheng, Sheng-Run; Li, Wei-Shan; Zhang, Wei-Xiong; Deng, Hong; Cai, Yue-Peng","Synthesis, crystal structures and properties of Ln(iii)‒Cu(i)‒Na(i) and Ln(iii)‒Ag(i) heterometallic coordination polymers","CrystEngComm","2011","13","11","3910","","10.1039/c0ce00929f","","","0.71073","MoKα","","0.0581","0.0405","","","0.0812","0.0906","","","","","","1.029","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215439","9.0533","0.0015","18.467","0.003","4.6354","0.001","90","","90","","90","","775","0.2","293","2","293","2","","","","","","","","4","C m m m","-C 2 2","65","","","","- Br4 Cd4 Hg4 S4 -","- Br4 Cd4 Hg4 S4 -","- Br8 Cd8 Hg8 S8 -","2","0.125","","Zou, Jian-Ping; Peng, Qiang; Luo, Sheng-Lian; Tang, Xin-Hua; Zhang, Ai-Qin; Zeng, Gui-Sheng; Guo, Guo-Cong","Synthesis, crystal and band structures, and optical properties of a novel quaternary mercury and cadmium chalcogenidehalide: (Hg2Cd2S2Br)Br","CrystEngComm","2011","13","11","3862","","10.1039/c1ce05047h","","","0.71073","MoKα","","0.0624","0.0537","","","0.1566","0.1615","","","","","","1.001","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215440","12.4787","0.0004","15.7475","0.0006","17.5342","0.0009","94.783","0.004","91.032","0.004","101.706","0.003","3360","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H60.5 N14 Ni2 O13.25 -","- C70 H52 N14 Ni2 O13.25 -","- C140 H104 N28 Ni4 O26.5 -","2","1","","Wu, Hua; Liu, Bo; Yang, Jin; Liu, Hai-Yan; Ma, Jian-Fang","A new type of entangled motif: from 2D polyrotaxane layers to a 3D polythreaded framework","CrystEngComm","2011","13","11","3661","","10.1039/c1ce05379e","","","0.71073","MoKα","","0.1156","0.0581","","","0.1364","0.151","","","","","","0.872","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215441","28.4879","0.0005","32.7675","0.0006","7.999","0.0001","90","","90","","90","","7466.9","0.2","296","2","296","2","","","","","","","","7","F d d 2","F 2 -2d","43","","Bis(N,N-dimethylselenourea)trichloro antimony hemiacetone","","- C7.5 H19 Cl3 N4 O0.5 Sb Se2 -","- C7.5 H19 Cl3 N4 O0.5 Sb Se2 -","- C120 H304 Cl48 N64 O8 Sb16 Se32 -","16","1","","Maiti, Nilkamal; Im, Sang Hyuk; Lee, Yong Hui; Kim, Chong-Hyeak; Seok, Sang Il","Solvent-assisted growth of Sb2Se3 nanocompounds from a single-source precursor under mild reaction conditions","CrystEngComm","2011","13","11","3767","","10.1039/c1ce05032j","","","0.71073","MoKα","","0.024","0.0202","","","0.0433","0.0441","","","","","","1.069","","","","has coordinates","212870","2020-10-21","18:00:00",""
"7215442","11.3326","0.0014","12.7665","0.0012","13.3078","0.0012","93.603","0.006","113.622","0.001","91.911","0.002","1756.9","0.3","295","","295","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H42 N2 O6 P S -","- C36 H42 N2 O6 P S -","- C72 H84 N4 O12 P2 S2 -","2","1","","Akutsu, Hiroki; Kawamura, Atsushi; Yamada, Jun-ichi; Nakatsuji, Shin'ichi; Turner, Scott S.","Anion polarity-induced dual oxidation states in a dual-layered purely organic paramagnetic charge-transfer salt, (TTF)3(PO-CON(CH3)C2H4SO3)2, where PO = 2,2,5,5-tetramethyl-3-pyrrolin-1-oxyl free radical","CrystEngComm","2011","13","17","5281","","10.1039/c1ce05578j","","","0.71069","MoKα","","","0.0684","","","","0.0693","","","","","","1.092","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215443","59.415","0.004","6.3283","0.0003","14.901","0.0007","90","","102.242","0.0014","90","","5475.3","0.5","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H52 N4 O10 S14 -","- C42 H52 N4 O10 S14 -","- C168 H208 N16 O40 S56 -","4","0.5","","Akutsu, Hiroki; Kawamura, Atsushi; Yamada, Jun-ichi; Nakatsuji, Shin'ichi; Turner, Scott S.","Anion polarity-induced dual oxidation states in a dual-layered purely organic paramagnetic charge-transfer salt, (TTF)3(PO-CON(CH3)C2H4SO3)2, where PO = 2,2,5,5-tetramethyl-3-pyrrolin-1-oxyl free radical","CrystEngComm","2011","13","17","5281","","10.1039/c1ce05578j","","","0.71069","MoKα","","","0.0645","","","","0.0587","","","","","","1.204","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215444","10.377","0.002","9.509","0.002","15.331","0.003","90","","92.624","0.005","90","","1511.2","0.5","233","2","233","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 P Se -","- C18 H13 P Se -","- C72 H52 P4 Se4 -","4","1","","Kabe, Ryota; Lynch, Vincent M.; Anzenbacher Jr., Pavel","Enhanced phosphorescence in dibenzophosphole chalcogenide mixed crystal","CrystEngComm","2011","13","17","5423","","10.1039/c1ce05388d","","","0.71075","MoKα","","0.0321","0.0277","","","0.0658","0.0679","","","","","","1.056","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215445","10.32","0.002","9.3942","0.0015","15.135","0.002","90","","92.101","0.004","90","","1466.3","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 P2 S Se -","- C36 H26 P2 S Se -","- C72 H52 P4 S2 Se2 -","2","0.5","","Kabe, Ryota; Lynch, Vincent M.; Anzenbacher Jr., Pavel","Enhanced phosphorescence in dibenzophosphole chalcogenide mixed crystal","CrystEngComm","2011","13","17","5423","","10.1039/c1ce05388d","","","0.71074","MoKα","","0.024","0.0232","","","0.0587","0.0592","","","","","","1.059","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215446","15.4845","0.0004","20.3081","0.0006","27.13","0.0008","90","","98.873","0.002","90","","8429.2","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H96.3 Cl N32 O34.15 -","- C56 H59 N32 O34.15 -","- C224 H236 N128 O136.6 -","4","1","","Vostrikova, Kira E.; Peresypkina, Eugenia V.; Drebushchak, Valery A.","Cucurbituril-assisted transformation of nitronyl nitroxide into imino nitroxide in the solid state","CrystEngComm","2011","13","9","3241","","10.1039/c0ce00504e","","","1.54178","CuKα","","0.1282","0.1068","","","0.2896","0.3108","","","","","","1.222","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7215449","8.5014","0.0005","13.1428","0.0007","9.5296","0.0005","90","","94.682","0.002","90","","1061.21","0.1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H10 Eu O11 -","- C6 H7 Eu O11 -","- C24 H28 Eu4 O44 -","4","1","","da Luz, Leonis L.; Lucena Viana, Bárbara F.; da Silva, Gabriel C. Oliveira; Gatto, Claudia C.; Fontes, Adriana M.; Malta, Marcos; Weber, Ingrid T.; Rodrigues, Marcelo O.; Júnior, Severino Alves","Controlling the energy transfer in lanthanide‒organic frameworks for the production of white-light emitting materials","CrystEngComm","2014","16","30","6914","","10.1039/C4CE00538D","","","0.71073","MoKα","","0.0259","0.0223","","","0.0512","0.0526","","","","","","1.065","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7215450","8.4612","0.0009","13.1272","0.0016","9.4855","0.0011","90","","94.652","0.007","90","","1050.1","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H10 Gd O11 -","- C6 H6 Gd O11 -","- C24 H24 Gd4 O44 -","4","1","","da Luz, Leonis L.; Lucena Viana, Bárbara F.; da Silva, Gabriel C. Oliveira; Gatto, Claudia C.; Fontes, Adriana M.; Malta, Marcos; Weber, Ingrid T.; Rodrigues, Marcelo O.; Júnior, Severino Alves","Controlling the energy transfer in lanthanide‒organic frameworks for the production of white-light emitting materials","CrystEngComm","2014","16","30","6914","","10.1039/C4CE00538D","","","0.71073","MoKα","","0.0201","0.0186","","","0.0453","0.0459","","","","","","1.152","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7215451","8.4548","0.0002","13.1047","0.0004","9.4885","0.0002","90","","94.439","0.001","90","","1048.15","0.05","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H10 O11 Tb -","- C6 H10 O11 Tb -","- C24 H40 O44 Tb4 -","4","1","","da Luz, Leonis L.; Lucena Viana, Bárbara F.; da Silva, Gabriel C. Oliveira; Gatto, Claudia C.; Fontes, Adriana M.; Malta, Marcos; Weber, Ingrid T.; Rodrigues, Marcelo O.; Júnior, Severino Alves","Controlling the energy transfer in lanthanide‒organic frameworks for the production of white-light emitting materials","CrystEngComm","2014","16","30","6914","","10.1039/C4CE00538D","","","0.71073","MoKα","","0.0317","0.0303","","","0.0777","0.0787","","","","","","1.122","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7215452","6.483","0.002","9.222","0.004","10.555","0.003","64.5","","81.417","0.004","80.98","","560.2","0.3","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C11 H9 Ag2 N2 O4 -","- C11 H9 Ag2 N2 O4 -","- C22 H18 Ag4 N4 O8 -","2","1","","Wang, Zhan-Hui; Wang, Dan-Feng; Zhang, Ting; Huang, Rong-Bin; Zheng, Lan-Sun","Synthesis, characterization, crystal structures and thermal and photoluminescence studies of dimethylpyrazine-carboxylate mixed ligand silver(i) coordination polymers with various multinuclear silver units","CrystEngComm","2014","16","23","5028","","10.1039/c4ce00072b","","","0.71073","MoKα","","0.0305","0.027","","","0.0651","0.0689","","","","","","1.102","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215453","8.059","0.002","10.243","0.004","17.378","0.003","98.88","","96.736","0.004","105.14","","1349.3","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H20 Ag4 N2 O8 -","- C30 H20 Ag4 N2 O8 -","- C60 H40 Ag8 N4 O16 -","2","1","","Wang, Zhan-Hui; Wang, Dan-Feng; Zhang, Ting; Huang, Rong-Bin; Zheng, Lan-Sun","Synthesis, characterization, crystal structures and thermal and photoluminescence studies of dimethylpyrazine-carboxylate mixed ligand silver(i) coordination polymers with various multinuclear silver units","CrystEngComm","2014","16","23","5028","","10.1039/c4ce00072b","","","0.71073","MoKα","","0.0546","0.0408","","","0.108","0.1134","","","","","","1.082","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215454","13.687","0.002","14.88","0.003","13.809","0.004","90","","90","","90","","2812.4","1.1","273","2","273.15","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C28 H24 Ag4 N4 O8 -","- C28 H24 Ag4 N4 O8 -","- C112 H96 Ag16 N16 O32 -","4","1","","Wang, Zhan-Hui; Wang, Dan-Feng; Zhang, Ting; Huang, Rong-Bin; Zheng, Lan-Sun","Synthesis, characterization, crystal structures and thermal and photoluminescence studies of dimethylpyrazine-carboxylate mixed ligand silver(i) coordination polymers with various multinuclear silver units","CrystEngComm","2014","16","23","5028","","10.1039/c4ce00072b","","","0.71073","MoKα","","0.0824","0.06","","","0.1318","0.1496","","","","","","1","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215455","7.2517","0.0014","7.7768","0.0015","25.608","0.004","90","","90.522","0.004","90","","1444.1","0.5","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H44 Ag8 N12 O24 -","- C56 H44 Ag8 N12 O24 -","- C56 H44 Ag8 N12 O24 -","1","0.25","","Wang, Zhan-Hui; Wang, Dan-Feng; Zhang, Ting; Huang, Rong-Bin; Zheng, Lan-Sun","Synthesis, characterization, crystal structures and thermal and photoluminescence studies of dimethylpyrazine-carboxylate mixed ligand silver(i) coordination polymers with various multinuclear silver units","CrystEngComm","2014","16","23","5028","","10.1039/c4ce00072b","","","0.71073","","","0.058","0.0395","","","","0.0978","","","","","","1.019","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215456","9.3459","0.0019","21.924","0.004","7.0573","0.0014","90","","106.11","0.03","90","","1389.3","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H6 Ag N O2 -","- C7 H6 Ag N O2 -","- C56 H48 Ag8 N8 O16 -","8","1","","Wang, Zhan-Hui; Wang, Dan-Feng; Zhang, Ting; Huang, Rong-Bin; Zheng, Lan-Sun","Synthesis, characterization, crystal structures and thermal and photoluminescence studies of dimethylpyrazine-carboxylate mixed ligand silver(i) coordination polymers with various multinuclear silver units","CrystEngComm","2014","16","23","5028","","10.1039/c4ce00072b","","","0.71073","MoKα","","0.0324","0.0294","","","0.0743","0.0775","","","","","","1.115","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215457","16.306","0.002","11.578","0.004","19.417","0.003","90","","90.207","0.004","90","","3665.7","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 Ag6 N4 O17 -","- C30 H32 Ag6 N4 O17 -","- C120 H128 Ag24 N16 O68 -","4","1","","Wang, Zhan-Hui; Wang, Dan-Feng; Zhang, Ting; Huang, Rong-Bin; Zheng, Lan-Sun","Synthesis, characterization, crystal structures and thermal and photoluminescence studies of dimethylpyrazine-carboxylate mixed ligand silver(i) coordination polymers with various multinuclear silver units","CrystEngComm","2014","16","23","5028","","10.1039/c4ce00072b","","","0.71073","MoKα","","0.0361","0.0298","","","0.0748","0.0776","","","","","","1.182","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215458","14.757","0.003","20.578","0.004","13.995","0.002","90","","90.04","0.004","90","","4249.9","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H36 Ag6 N6 O12 -","- C42 H36 Ag6 N6 O12 -","- C168 H144 Ag24 N24 O48 -","4","1","","Wang, Zhan-Hui; Wang, Dan-Feng; Zhang, Ting; Huang, Rong-Bin; Zheng, Lan-Sun","Synthesis, characterization, crystal structures and thermal and photoluminescence studies of dimethylpyrazine-carboxylate mixed ligand silver(i) coordination polymers with various multinuclear silver units","CrystEngComm","2014","16","23","5028","","10.1039/c4ce00072b","","","0.71073","MoKα","","0.141","0.0818","","","0.1963","0.2676","","","","","","1.01","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215459","18.431","0.0017","18.431","0.0017","69.911","0.015","90","","90","","120","","20567","5","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C14 H8 Cu N2 O5 -","- C14 H8 Cu N2 O5 -","- C504 H288 Cu36 N72 O180 -","36","1","","Du, Liting; Yang, Shilong; Xu, Li; Min, Huihua; Zheng, Baishu","Highly selective carbon dioxide uptake by a microporous kgm-pillared metal‒organic framework with acylamide groups","CrystEngComm","2014","16","25","5520","","10.1039/c4ce00530a","","","0.71073","MoKα","","0.0744","0.0642","","","0.1905","0.1993","","","","","","1.183","","","","has coordinates,has disorder","180485","2020-10-21","18:00:00",""
"7215460","11.0637","0.0009","7.2056","0.0006","22.927","0.002","90","","101.564","0.008","90","","1790.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C16 H14 N4 S4 -","- C16 H14 N4 S4 -","- C64 H56 N16 S16 -","4","1","","Biet, Thomas; Avarvari, Narcis","Electroactive tetrathiafulvalene based pyridine-mono and -bis(1,2,3-triazoles) click ligands: synthesis, crystal structures and coordination chemistry","CrystEngComm","2014","16","29","6612","","10.1039/c4ce00736k","","","0.71073","MoKα","","0.1654","0.06","","","0.0924","0.1178","","","","","","1.003","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215461","11.278","0.0012","31.812","0.003","8.79","0.004","90","","98.853","0.014","90","","3116.1","1.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H23 N7 S8 -","- C27 H23 N7 S8 -","- C108 H92 N28 S32 -","4","0.5","","Biet, Thomas; Avarvari, Narcis","Electroactive tetrathiafulvalene based pyridine-mono and -bis(1,2,3-triazoles) click ligands: synthesis, crystal structures and coordination chemistry","CrystEngComm","2014","16","29","6612","","10.1039/c4ce00736k","","","0.71073","MoKα","","0.1353","0.0608","","","0.1107","0.1367","","","","","","1.047","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215462","12.283","0.0013","12.898","0.0015","22.171","0.004","80.437","0.012","87.138","0.011","89.403","0.008","3459.3","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H16 Co F12 N4 O4 S4 -","- C26 H16 Co F12 N4 O4 S4 -","- C104 H64 Co4 F48 N16 O16 S16 -","4","2","","Biet, Thomas; Avarvari, Narcis","Electroactive tetrathiafulvalene based pyridine-mono and -bis(1,2,3-triazoles) click ligands: synthesis, crystal structures and coordination chemistry","CrystEngComm","2014","16","29","6612","","10.1039/c4ce00736k","","","0.71073","MoKα","","0.2174","0.0896","","","0.1577","0.2078","","","","","","1.026","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215463","21.102","0.003","21.102","0.002","15.611","0.0014","90","","90","","90","","6951.5","1.3","293","2","293","2","","","","","","","","7","P 4 c c","P 4 -2c","103","","","","- C108 H92 Cd Cl2 N28 O12 S32 -","- C108 H92 Cd Cl2 N28 O12 S32 -","- C216 H184 Cd2 Cl4 N56 O24 S64 -","2","0.25","","Biet, Thomas; Avarvari, Narcis","Electroactive tetrathiafulvalene based pyridine-mono and -bis(1,2,3-triazoles) click ligands: synthesis, crystal structures and coordination chemistry","CrystEngComm","2014","16","29","6612","","10.1039/c4ce00736k","","","0.71073","MoKα","","0.0962","0.0497","","","0.086","0.103","","","","","","1.117","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215464","16.796","0.004","9.9569","0.0012","25.493","0.003","90","","103.108","0.009","90","","4152.3","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H52 Cd5 Cl10 N16 S16 -","- C58 H52 Cd5 Cl10 N16 S16 -","- C116 H104 Cd10 Cl20 N32 S32 -","2","0.5","","Biet, Thomas; Avarvari, Narcis","Electroactive tetrathiafulvalene based pyridine-mono and -bis(1,2,3-triazoles) click ligands: synthesis, crystal structures and coordination chemistry","CrystEngComm","2014","16","29","6612","","10.1039/c4ce00736k","","","0.71073","MoKα","","0.0553","0.0372","","","0.0837","0.0896","","","","","","1.063","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215465","13.262","0.003","13.508","0.002","24.549","0.004","76.154","0.008","86.364","0.009","63.763","0.008","3825.5","1.2","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C37 H56 Cl3 N3 O4 -","- C37 H56 Cl3 N3 O4 -","- C148 H224 Cl12 N12 O16 -","4","4","","Asthana, Deepak; Keshri, Sudhir K.; Hundal, Geeta; Sharma, Gyaneswar; Mukhopadhyay, Pritam","Self-assembly patterns of steroid-based all-organic ferroelectrics: valuable insights from the single-crystals derived from an organogel and solution","CrystEngComm","2014","16","22","4861","","10.1039/c4ce00013g","","","0.71073","MoKα","","0.0975","0.0628","","","0.1517","0.1753","","","","","","0.975","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215466","12.9772","0.0003","14.3714","0.0002","22.68","0.0006","73.075","0.001","79.981","0.001","69.56","0.001","3779.49","0.15","123","0.1","123","0.1","","","","","","","synthesis as described","4","P 1","P 1","1","","","","- C156 H252 N12 O20 -","- C156 H252 N12 O20 -","- C156 H252 N12 O20 -","1","1","","Asthana, Deepak; Keshri, Sudhir K.; Hundal, Geeta; Sharma, Gyaneswar; Mukhopadhyay, Pritam","Self-assembly patterns of steroid-based all-organic ferroelectrics: valuable insights from the single-crystals derived from an organogel and solution","CrystEngComm","2014","16","22","4861","","10.1039/c4ce00013g","","x-ray","0.71073","MoKα","","0.0824","0.061","","","0.13","0.1427","","","","","","1.03","","","","has coordinates,has disorder","180485","2020-10-21","18:00:00",""
"7215472","10.1249","0.0007","4.7655","0.0003","35.02","0.003","90","","93.387","0.002","90","","1686.8","0.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C32 H42 O13 -","- C32 H36 O13 -","- C64 H72 O26 -","2","0.5","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","The role of secondary ammonium cations in controlling the conformation of C3-symmetric acid moieties and its implication for the design of supramolecular capsules","CrystEngComm","2014","16","22","4867","","10.1039/c3ce42655f","","","0.71073","MoKα","","0.1049","0.0858","","","0.2555","0.2743","","","","","","1.081","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215473","10.125","0.006","4.993","0.003","37.33","0.02","90","","93.079","0.015","90","","1884.5","1.9","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 O6 -","- C18 H24 O6 -","- C72 H96 O24 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","The role of secondary ammonium cations in controlling the conformation of C3-symmetric acid moieties and its implication for the design of supramolecular capsules","CrystEngComm","2014","16","22","4867","","10.1039/c3ce42655f","","","0.71073","MoKα","","0.0938","0.0792","","","0.2436","0.2647","","","","","","1.161","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215474","30.0728","0.0008","9.9777","0.0003","16.8414","0.0004","90","","105.73","0.002","90","","4864.1","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H39 N O6 -","- C24 H39 N O6 -","- C192 H312 N8 O48 -","8","2","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","The role of secondary ammonium cations in controlling the conformation of C3-symmetric acid moieties and its implication for the design of supramolecular capsules","CrystEngComm","2014","16","22","4867","","10.1039/c3ce42655f","","","0.71073","MoKα","","0.1579","0.1053","","","0.2468","0.2727","","","","","","1.085","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215475","33.1689","0.001","10.1077","0.0003","16.6962","0.0005","90","","103.568","0.002","90","","5441.4","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C52 H68 N2 O14 -","- C52 H68 N2 O14 -","- C208 H272 N8 O56 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","The role of secondary ammonium cations in controlling the conformation of C3-symmetric acid moieties and its implication for the design of supramolecular capsules","CrystEngComm","2014","16","22","4867","","10.1039/c3ce42655f","","","0.71073","MoKα","","0.0903","0.0767","","","0.2162","0.2351","","","","","","1.007","","","","has coordinates,has disorder","180485","2020-10-21","18:00:00",""
"7215476","13.957","0.004","10.086","0.003","17.006","0.005","90","","113.026","0.005","90","","2203.2","1.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H29 N O6 -","- C21 H21 N O6 -","- C84 H84 N4 O24 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","The role of secondary ammonium cations in controlling the conformation of C3-symmetric acid moieties and its implication for the design of supramolecular capsules","CrystEngComm","2014","16","22","4867","","10.1039/c3ce42655f","","","0.71073","MoKα","","0.0717","0.0617","","","0.1932","0.204","","","","","","1.067","","","","has coordinates,has disorder","180485","2020-10-21","18:00:00",""
"7215477","17.7425","0.0009","8.7392","0.0005","19.5395","0.001","90","","102.293","0.002","90","","2960.2","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H49 N O7 -","- C30 H49 N O7 -","- C120 H196 N4 O28 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","The role of secondary ammonium cations in controlling the conformation of C3-symmetric acid moieties and its implication for the design of supramolecular capsules","CrystEngComm","2014","16","22","4867","","10.1039/c3ce42655f","","","0.71073","MoKα","","0.0508","0.0411","","","0.1168","0.1297","","","","","","1.017","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215478","31.663","0.003","10.0805","0.001","16.7716","0.0017","90","","104.662","0.002","90","","5178.8","0.9","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H43 N O6 -","- C26 H39 N O6 -","- C208 H312 N8 O48 -","8","2","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","The role of secondary ammonium cations in controlling the conformation of C3-symmetric acid moieties and its implication for the design of supramolecular capsules","CrystEngComm","2014","16","22","4867","","10.1039/c3ce42655f","","","0.71073","MoKα","","0.0686","0.0495","","","0.1327","0.1474","","","","","","1.079","","","","has coordinates,has disorder","180485","2020-10-21","18:00:00",""
"7215479","16.681","0.002","10.1817","0.0014","28.164","0.004","90","","90","","90","","4783.4","1.1","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C24 H32 N O6 -","- C24 H32 N O6 -","- C192 H256 N8 O48 -","8","2","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","The role of secondary ammonium cations in controlling the conformation of C3-symmetric acid moieties and its implication for the design of supramolecular capsules","CrystEngComm","2014","16","22","4867","","10.1039/c3ce42655f","","","0.71073","MoKα","","0.0405","0.0368","","","0.0998","0.1031","","","","","","0.993","","","","has coordinates,has disorder","180485","2020-10-21","18:00:00",""
"7215480","8.405","0.011","16.69","0.02","9.156","0.013","90","","117.32","0.08","90","","1141","3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H37 N O6 -","- C23 H37 N O6 -","- C46 H74 N2 O12 -","2","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","The role of secondary ammonium cations in controlling the conformation of C3-symmetric acid moieties and its implication for the design of supramolecular capsules","CrystEngComm","2014","16","22","4867","","10.1039/c3ce42655f","","","0.71073","MoKα","","0.0673","0.063","","","0.1606","0.1643","","","","","","1.047","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215481","14.566","0.01","9.991","0.007","17.129","0.011","90","","112.74","0.013","90","","2299","3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H33 N O6 -","- C21 H17 N O6 -","- C84 H68 N4 O24 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","The role of secondary ammonium cations in controlling the conformation of C3-symmetric acid moieties and its implication for the design of supramolecular capsules","CrystEngComm","2014","16","22","4867","","10.1039/c3ce42655f","","","0.71073","MoKα","","0.1429","0.0866","","","0.2308","0.2754","","","","","","1.016","","","","has coordinates,has disorder","180485","2020-10-21","18:00:00",""
"7215482","14.494","0.005","8.794","0.005","19.179","0.005","90","","111.665","0.005","90","","2271.9","1.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H37 N O6 -","- C23 H37 N O6 -","- C92 H148 N4 O24 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","The role of secondary ammonium cations in controlling the conformation of C3-symmetric acid moieties and its implication for the design of supramolecular capsules","CrystEngComm","2014","16","22","4867","","10.1039/c3ce42655f","","","0.71073","MoKα","","0.0628","0.0502","","","0.1366","0.1483","","","","","","1.066","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215483","29.446","0.014","39.144","0.019","17.41","0.008","90","","90","","90","","20067","16","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C51 H89 N3 O7 -","- C51 H89 N3 O7 -","- C816 H1424 N48 O112 -","16","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","The role of secondary ammonium cations in controlling the conformation of C3-symmetric acid moieties and its implication for the design of supramolecular capsules","CrystEngComm","2014","16","22","4867","","10.1039/c3ce42655f","","","0.71073","MoKα","","0.0502","0.039","","","0.0987","0.1067","","","","","","1.147","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215484","17.9447","0.0004","19.1082","0.0004","11.5533","0.0002","90","","90","","90","","3961.52","0.14","296","2","296","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C44 H36 Mo2 N16 -","- C44 H36 Mo2 N16 -","- C176 H144 Mo8 N64 -","4","0.5","","Hsu, Wayne; Li, Yu-Sian; He, Hsiu-Yi; Chen, Kuan-Ting; Wu, Hong-Sheng; Proserpio, Davide M.; Chen, Jhy-Der; Wang, Ju-Chun","Stepwise formation of heteronuclear coordination networks based on quadruple-bonded dimolybdenum units containing formamidinate ligands","CrystEngComm","2014","16","32","7385","","10.1039/C4CE00474D","","","0.71073","MoKα","","0.0525","0.0289","","","0.0591","0.0673","","","","","","1.018","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215485","14.9903","0.0008","9.2196","0.0005","20.0369","0.0011","90","","101.615","0.003","90","","2712.5","0.3","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22.5 H20 Br2 Hg Mo N8 O0.5 -","- C22.5 H19.5 Br2 Hg Mo N8 O0.5 -","- C90 H78 Br8 Hg4 Mo4 N32 O2 -","4","1","","Hsu, Wayne; Li, Yu-Sian; He, Hsiu-Yi; Chen, Kuan-Ting; Wu, Hong-Sheng; Proserpio, Davide M.; Chen, Jhy-Der; Wang, Ju-Chun","Stepwise formation of heteronuclear coordination networks based on quadruple-bonded dimolybdenum units containing formamidinate ligands","CrystEngComm","2014","16","32","7385","","10.1039/C4CE00474D","","","0.71073","MoKα","","0.077","0.0458","","","0.1127","0.1275","","","","","","1.025","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215486","15.3948","0.0003","9.2721","0.0002","20.2932","0.0003","90","","103.088","0.001","90","","2821.45","0.09","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22.5 H20 Hg I2 Mo N8 O0.5 -","- C22.5 H19.5 Hg I2 Mo N8 O0.5 -","- C90 H78 Hg4 I8 Mo4 N32 O2 -","4","1","","Hsu, Wayne; Li, Yu-Sian; He, Hsiu-Yi; Chen, Kuan-Ting; Wu, Hong-Sheng; Proserpio, Davide M.; Chen, Jhy-Der; Wang, Ju-Chun","Stepwise formation of heteronuclear coordination networks based on quadruple-bonded dimolybdenum units containing formamidinate ligands","CrystEngComm","2014","16","32","7385","","10.1039/C4CE00474D","","","0.71073","MoKα","","0.0605","0.0497","","","0.1496","0.1618","","","","","","1.06","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215487","12.8206","0.0007","12.7766","0.0007","17.2962","0.0009","90","","95.517","0.002","90","","2820.1","0.3","99","2","99","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H36 Cl7 Hg3.5 Mo2 N16 -","- C43.92 H35.92 Cl7.2 Hg3.6 Mo2 N16 -","- C87.84 H71.84 Cl14.4 Hg7.2 Mo4 N32 -","2","0.5","","Hsu, Wayne; Li, Yu-Sian; He, Hsiu-Yi; Chen, Kuan-Ting; Wu, Hong-Sheng; Proserpio, Davide M.; Chen, Jhy-Der; Wang, Ju-Chun","Stepwise formation of heteronuclear coordination networks based on quadruple-bonded dimolybdenum units containing formamidinate ligands","CrystEngComm","2014","16","32","7385","","10.1039/C4CE00474D","","","0.71073","MoKα","","0.0742","0.0598","","","0.1541","0.1631","","","","","","1.043","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7215488","5.659","0.0013","7.9562","0.0018","19.147","0.004","96.62","0.003","95.808","0.004","98.313","0.003","841.2","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H22 Cd3 O20 P4 -","- C28 H22 Cd3 O20 P4 -","- C28 H22 Cd3 O20 P4 -","1","0.5","","Dai, Lu-Lu; Zhu, Yan-Yu; Jiao, Cheng-Qi; Sun, Zhen-Gang; Shi, Shao-Ping; Zhou, Wei; Li, Wen-Zhu; Sun, Tong; Luo, Hui; Ma, Ming-Xue","Syntheses, structures, luminescence and molecular recognition properties of four new cadmium carboxyphosphonates with 2D layered and 3D supramolecular structures","CrystEngComm","2014","16","23","5050","","10.1039/c4ce00040d","","","0.71073","MoKα","","0.0563","0.0525","","","0.1493","0.1553","","","","","","1.073","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215489","18.2285","0.0013","12.4643","0.0009","18.4247","0.0019","90","","117.261","0.001","90","","3721.2","0.5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H17 Cd N2 O7 P -","- C17 H17 Cd N2 O7 P -","- C136 H136 Cd8 N16 O56 P8 -","8","1","","Dai, Lu-Lu; Zhu, Yan-Yu; Jiao, Cheng-Qi; Sun, Zhen-Gang; Shi, Shao-Ping; Zhou, Wei; Li, Wen-Zhu; Sun, Tong; Luo, Hui; Ma, Ming-Xue","Syntheses, structures, luminescence and molecular recognition properties of four new cadmium carboxyphosphonates with 2D layered and 3D supramolecular structures","CrystEngComm","2014","16","23","5050","","10.1039/c4ce00040d","","","0.71073","MoKα","","0.0396","0.0275","","","0.0647","0.0701","","","","","","1.021","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215490","13.9812","0.0014","14.7218","0.0014","15.0185","0.0014","103.264","0.002","92.471","0.002","110.865","0.001","2784.9","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H44 Cd3 N6 O16 P2 -","- C50 H44 Cd3 N6 O16 P2 -","- C100 H88 Cd6 N12 O32 P4 -","2","1","","Dai, Lu-Lu; Zhu, Yan-Yu; Jiao, Cheng-Qi; Sun, Zhen-Gang; Shi, Shao-Ping; Zhou, Wei; Li, Wen-Zhu; Sun, Tong; Luo, Hui; Ma, Ming-Xue","Syntheses, structures, luminescence and molecular recognition properties of four new cadmium carboxyphosphonates with 2D layered and 3D supramolecular structures","CrystEngComm","2014","16","23","5050","","10.1039/c4ce00040d","","","0.71073","MoKα","","0.0827","0.0512","","","0.1532","0.1738","","","","","","1.038","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215491","11.78","0.0011","9.4034","0.0009","18.8322","0.0018","90","","103.465","0.002","90","","2028.7","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 Cd N2 O9 P -","- C17 H21 Cd N2 O9 P -","- C68 H84 Cd4 N8 O36 P4 -","4","1","","Dai, Lu-Lu; Zhu, Yan-Yu; Jiao, Cheng-Qi; Sun, Zhen-Gang; Shi, Shao-Ping; Zhou, Wei; Li, Wen-Zhu; Sun, Tong; Luo, Hui; Ma, Ming-Xue","Syntheses, structures, luminescence and molecular recognition properties of four new cadmium carboxyphosphonates with 2D layered and 3D supramolecular structures","CrystEngComm","2014","16","23","5050","","10.1039/c4ce00040d","","","0.71073","MoKα","","0.0651","0.0415","","","0.1044","0.1166","","","","","","1.032","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215492","7.81","0.0013","21.238","0.004","26.989","0.005","90","","90","","90","","4476.6","1.4","293","","293","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C14 H18 B F4 O2 S8 -","- C14 H18 B F4.005 O2 S8 -","- C112 H144 B8 F32.04 O16 S64 -","8","1","","Martin, Lee; Wallis, John D.; Guziak, Milena A.; Oxspring, Jack; Lopez, Jordan R.; Nakatsuji, Shin'ichi; Yamada, Jun'ichi; Akutsu, Hiroki","Stereoisomeric semiconducting radical cation salts of chiral bis(2-hydroxypropylthio)ethylenedithioTTF with tetrafluoroborate anions","CrystEngComm","2014","16","24","5424","","10.1039/c4ce00116h","","","0.71075","MoKα","","","0.0486","","","","0.1232","","","","","","1.044","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215493","7.8172","0.0013","21.232","0.004","26.987","0.005","90","","90","","90","","4479.2","1.4","293","","293","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C14 H18 B F4 O2 S8 -","- C14 H18 B F3.993 O2 S8 -","- C112 H144 B8 F31.944 O16 S64 -","8","1","","Martin, Lee; Wallis, John D.; Guziak, Milena A.; Oxspring, Jack; Lopez, Jordan R.; Nakatsuji, Shin'ichi; Yamada, Jun'ichi; Akutsu, Hiroki","Stereoisomeric semiconducting radical cation salts of chiral bis(2-hydroxypropylthio)ethylenedithioTTF with tetrafluoroborate anions","CrystEngComm","2014","16","24","5424","","10.1039/c4ce00116h","","","0.71075","MoKα","","","0.0603","","","","0.1421","","","","","","1.041","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215494","7.81","0.0013","21.238","0.004","26.989","0.005","90","","90","","90","","4476.6","1.4","293","","293","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C14 H18 B F4 O2 S8 -","- C14 H18 B F4 O2 S8 -","- C112 H144 B8 F32 O16 S64 -","8","1","","Martin, Lee; Wallis, John D.; Guziak, Milena A.; Oxspring, Jack; Lopez, Jordan R.; Nakatsuji, Shin'ichi; Yamada, Jun'ichi; Akutsu, Hiroki","Stereoisomeric semiconducting radical cation salts of chiral bis(2-hydroxypropylthio)ethylenedithioTTF with tetrafluoroborate anions","CrystEngComm","2014","16","24","5424","","10.1039/c4ce00116h","","","0.71075","MoKα","","","0.0647","","","","0.2003","","","","","","1.299","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215499","11.5361","0.0003","11.5361","0.0003","37.3168","0.0019","90","","90","","90","","4966.2","0.3","173","2","173","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C27 H23 N3 O5 Zn -","- C26.994 H22 N3 O5 Zn -","- C215.952 H176 N24 O40 Zn8 -","8","1","","Mehlana, Gift; Ramon, Gaëlle; Bourne, Susan A.","The role of C‒H⋯π interactions in modulating the breathing amplitude of a 2D square lattice net: alcohol sorption studies","CrystEngComm","2014","16","35","8160","","10.1039/C4CE00496E","","","0.71073","MoKα","","0.0543","0.0429","","","0.0982","0.1029","","","","","","1.059","","","","has coordinates,has disorder","180485","2020-10-21","18:00:00",""
"7215500","11.5806","0.0003","11.5806","0.0003","34.904","0.002","90","","90","","90","","4681","0.3","173","2","173","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C24 H16 N2 O4 Zn -","- C24 H16 N2 O4 Zn -","- C192 H128 N16 O32 Zn8 -","8","1","","Mehlana, Gift; Ramon, Gaëlle; Bourne, Susan A.","The role of C‒H⋯π interactions in modulating the breathing amplitude of a 2D square lattice net: alcohol sorption studies","CrystEngComm","2014","16","35","8160","","10.1039/C4CE00496E","","","0.71073","MoKα","","0.0483","0.0404","","","0.1283","0.134","","","","","","1.053","","","","has coordinates","180486","2020-10-21","18:00:00",""
"7215501","11.6638","0.0004","11.6638","0.0004","36.79","0.003","90","","90","","90","","5005.1","0.5","173","2","173","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C27 H24 N2 O5 Zn -","- C25.2 H16 N2 O4.4 Zn -","- C201.6 H128 N16 O35.2 Zn8 -","8","1","","Mehlana, Gift; Ramon, Gaëlle; Bourne, Susan A.","The role of C‒H⋯π interactions in modulating the breathing amplitude of a 2D square lattice net: alcohol sorption studies","CrystEngComm","2014","16","35","8160","","10.1039/C4CE00496E","","","0.71073","MoKα","","0.1152","0.0917","","","0.2524","0.2739","","","","","","1.043","","","","has coordinates","180486","2020-10-21","18:00:00",""
"7215502","19.0671","0.0019","10.4052","0.0008","22.384","0.0019","90","","99.004","0.001","90","","4386.2","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H18 Mn N2 O5 -","- C27 H18 Mn N2 O5 -","- C216 H144 Mn8 N16 O40 -","8","1","","Cao, Xinyu; Mu, Bao; Huang, Rudan","Synthesis of a series of coordination polymers based on mixed ligands to tune the structural dimension","CrystEngComm","2014","16","23","5093","","10.1039/c3ce42272k","","","0.71073","MoKα","","0.0745","0.046","","","0.0929","0.1105","","","","","","1.03","","","","has coordinates,has disorder","180486","2020-10-21","18:00:00",""
"7215503","10.7055","0.0007","12.564","0.0009","15.7296","0.001","113.095","0.002","98.85","0.001","102.229","0.001","1834.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H38 Co N4 O11 -","- C39 H38 Co N4 O11 -","- C78 H76 Co2 N8 O22 -","2","1","","Cao, Xinyu; Mu, Bao; Huang, Rudan","Synthesis of a series of coordination polymers based on mixed ligands to tune the structural dimension","CrystEngComm","2014","16","23","5093","","10.1039/c3ce42272k","","","0.71073","MoKα","","0.0918","0.059","","","0.1455","0.1686","","","","","","1.029","","","","has coordinates","180486","2020-10-21","18:00:00",""
"7215504","19.0329","0.0018","10.395","0.0009","22.382","0.002","90","","99.021","0.001","90","","4373.4","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H18 Co N2 O5 -","- C27 H18 Co N2 O5 -","- C216 H144 Co8 N16 O40 -","8","1","","Cao, Xinyu; Mu, Bao; Huang, Rudan","Synthesis of a series of coordination polymers based on mixed ligands to tune the structural dimension","CrystEngComm","2014","16","23","5093","","10.1039/c3ce42272k","","","0.71073","MoKα","","0.1072","0.0593","","","0.1441","0.1803","","","","","","1.044","","","","has coordinates","180486","2020-10-21","18:00:00",""
"7215505","19.2419","0.0007","10.4225","0.0003","22.3595","0.0007","90","","98.676","0.001","90","","4432.9","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H18 Cd N2 O5 -","- C27 H18 Cd N2 O5 -","- C216 H144 Cd8 N16 O40 -","8","1","","Cao, Xinyu; Mu, Bao; Huang, Rudan","Synthesis of a series of coordination polymers based on mixed ligands to tune the structural dimension","CrystEngComm","2014","16","23","5093","","10.1039/c3ce42272k","","","0.71073","MoKα","","0.0601","0.0376","","","0.0652","0.0764","","","","","","1.064","","","","has coordinates,has disorder","180486","2020-10-21","18:00:00",""
"7215506","35.13","0.003","7.3946","0.0003","19.1657","0.0013","90","","109.809","0.002","90","","4684.1","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H22 Mn N2 O7 -","- C25 H22 Mn N2 O7 -","- C200 H176 Mn8 N16 O56 -","8","1","","Cao, Xinyu; Mu, Bao; Huang, Rudan","Synthesis of a series of coordination polymers based on mixed ligands to tune the structural dimension","CrystEngComm","2014","16","23","5093","","10.1039/c3ce42272k","","","0.71073","MoKα","","0.1107","0.0567","","","0.0879","0.115","","","","","","1.057","","","","has coordinates","180486","2020-10-21","18:00:00",""
"7215507","35.083","0.003","7.294","0.0005","19.1329","0.0017","90","","109.888","0.002","90","","4604","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H22 Co N2 O7 -","- C25 H22 Co N2 O7 -","- C200 H176 Co8 N16 O56 -","8","1","","Cao, Xinyu; Mu, Bao; Huang, Rudan","Synthesis of a series of coordination polymers based on mixed ligands to tune the structural dimension","CrystEngComm","2014","16","23","5093","","10.1039/c3ce42272k","","","0.71073","MoKα","","0.1128","0.0572","","","0.1147","0.1421","","","","","","0.991","","","","has coordinates","180486","2020-10-21","18:00:00",""
"7215508","7.5718","0.0007","14.0421","0.0019","17.244","0.002","74.534","0.001","83.804","0.001","88.439","0.002","1756.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H34 Cu N2 O12 -","- C40 H34 Cu N2 O12 -","- C80 H68 Cu2 N4 O24 -","2","1","","Cao, Xinyu; Mu, Bao; Huang, Rudan","Synthesis of a series of coordination polymers based on mixed ligands to tune the structural dimension","CrystEngComm","2014","16","23","5093","","10.1039/c3ce42272k","","","0.71073","MoKα","","0.1358","0.069","","","0.0797","0.1025","","","","","","1.095","","","","has coordinates","180486","2020-10-21","18:00:00",""
"7215509","12.6755","0.0005","16.983","0.0006","20.7087","0.0011","90","","103.418","0.002","90","","4336.2","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H36 Cd2 N4 O10 -","- C50 H36 Cd2 N4 O10 -","- C200 H144 Cd8 N16 O40 -","4","0.5","","Cao, Xinyu; Mu, Bao; Huang, Rudan","Synthesis of a series of coordination polymers based on mixed ligands to tune the structural dimension","CrystEngComm","2014","16","23","5093","","10.1039/c3ce42272k","","","0.71073","MoKα","","0.0597","0.0358","","","0.0572","0.0667","","","","","","1.04","","","","has coordinates","180486","2020-10-21","18:00:00",""
"7215510","31.684","0.004","10.0017","0.0012","13.3763","0.0017","90","","106.607","0.003","90","","4062.1","0.9","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14.5 H16 N6 O4.5 Pb S -","- C14.5 H16 N6 O4.5 Pb S -","- C116 H128 N48 O36 Pb8 S8 -","8","1","","Hashemi, Lida; Morsali, Ali","A new lead(ii) nanoporous three-dimensional coordination polymer: pore size effect on iodine adsorption affinity","CrystEngComm","2014","16","23","4955","","10.1039/c4ce00454j","","","0.71073","MoKα","","0.0524","0.0345","","","0.08","0.0885","","","","","","1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215589","8.968","0.0003","9.9186","0.0003","10.4833","0.0003","66.002","0.001","87.096","0.001","64.555","0.001","760.5","0.04","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H10 Cl4 N2 O2 U -","- C10 H10 Cl4 N2 O2 U -","- C20 H20 Cl8 N4 O4 U2 -","2","1","","Deifel, Nicholas P.; Cahill, Christopher L.","The uranyl tetrachloride anion as a tecton in the assembly of U(VI) hybrid materials","CrystEngComm","2009","11","12","2739","","10.1039/b911470j","","","1.54178","CuKα","","0.0212","0.0199","","","0.0538","0.0587","","","","","","1.061","","","","has coordinates","180486","2020-10-21","18:00:00",""
"7215590","8.9215","0.0006","9.8582","0.0007","10.3689","0.0007","65.72","0.002","86.22","0.002","64.64","0.002","744.42","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H10 Cl4 N2 O2 U -","- C10 H10 Cl4 N2 O2 U -","- C20 H20 Cl8 N4 O4 U2 -","2","1","","Deifel, Nicholas P.; Cahill, Christopher L.","The uranyl tetrachloride anion as a tecton in the assembly of U(VI) hybrid materials","CrystEngComm","2009","11","12","2739","","10.1039/b911470j","","","0.71073","MoKα","","0.0824","0.0337","","","0.0555","0.0652","","","","","","0.998","","","","has coordinates","180486","2020-10-21","18:00:00",""
"7215654","11.3224","0.0003","14.6492","0.0004","18.371","0.0005","71","0.002","78.352","0.002","73.441","0.002","2741.51","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H41 Co Ge2 N9 S6 -","- C12 H41 Co Ge2 N9 S6 -","- C48 H164 Co4 Ge8 N36 S24 -","4","2","","Lichte, Jessica; Näther, Christian; Bensch, Wolfgang","Polymorphism and tautomerism in [dienH2][Co(dien)2][Ge2S6] leading to different hydrogen bonded networks","CrystEngComm","2014","16","25","5551","","10.1039/c4ce00312h","","","0.71073","MoKα","","0.0545","0.0388","","","0.0854","0.0908","","","","","","1.043","","","","has coordinates,has disorder","180487","2020-10-21","18:00:00",""
"7215655","7.2034","0.0005","9.2773","0.0006","11.4365","0.0008","74.107","0.005","73.402","0.005","71.293","0.005","679.62","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H41 Co Ge2 N9 S6 -","- C12 H41 Co Ge2 N9 S6 -","- C12 H41 Co Ge2 N9 S6 -","1","0.5","","Lichte, Jessica; Näther, Christian; Bensch, Wolfgang","Polymorphism and tautomerism in [dienH2][Co(dien)2][Ge2S6] leading to different hydrogen bonded networks","CrystEngComm","2014","16","25","5551","","10.1039/c4ce00312h","","","0.71073","MoKα","","0.0336","0.0295","","","0.0728","0.0744","","","","","","1.11","","","","has coordinates,has disorder","180487","2020-10-21","18:00:00",""
"7215656","15.211","0.0003","16.7025","0.0004","21.8821","0.0004","90","","90","","90","","5559.4","0.2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H41 Co Ge2 N9 S6 -","- C12 H41 Co Ge2 N9 S6 -","- C96 H328 Co8 Ge16 N72 S48 -","8","1","","Lichte, Jessica; Näther, Christian; Bensch, Wolfgang","Polymorphism and tautomerism in [dienH2][Co(dien)2][Ge2S6] leading to different hydrogen bonded networks","CrystEngComm","2014","16","25","5551","","10.1039/c4ce00312h","","","0.71073","MoKα","","0.0613","0.0474","","","0.0792","0.0832","","","","","","1.142","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215657","14.7043","0.0003","9.0099","0.0002","21.454","0.0005","90","","90","","90","","2842.32","0.11","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C12 H41 Co Ge2 N9 S6 -","- C12 H41 Co Ge2 N9 S6 -","- C48 H164 Co4 Ge8 N36 S24 -","4","1","","Lichte, Jessica; Näther, Christian; Bensch, Wolfgang","Polymorphism and tautomerism in [dienH2][Co(dien)2][Ge2S6] leading to different hydrogen bonded networks","CrystEngComm","2014","16","25","5551","","10.1039/c4ce00312h","","","0.71073","MoKα","","0.0205","0.0199","","","0.0479","0.0482","","","","","","1.042","","","","has coordinates,has disorder","180487","2020-10-21","18:00:00",""
"7215658","27.144","0.005","6.5905","0.0013","10.766","0.002","90","","90","","90","","1926","0.6","153","2","153","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C17 H14 Cl F6 N4 P Pt -","- C17 H14 Cl F6 N4 P Pt -","- C68 H56 Cl4 F24 N16 P4 Pt4 -","4","0.5","","Zhang, Rui; Liang, Zhenning; Han, Ali; Wu, Haotian; Du, Pingwu; Lai, Wenzhen; Cao, Rui","Structural, spectroscopic and theoretical studies of a vapochromic platinum(ii) terpyridyl complex","CrystEngComm","2014","16","25","5531","","10.1039/c4ce00514g","","","0.71073","MoKα","","0.0502","0.0434","","","0.0978","0.1025","","","","","","1.064","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215659","20.0402","0.0006","20.0402","0.0006","41.6541","0.0013","90","","90","","120","","14487.5","0.8","150","2","150","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C9 H9 Cu N O5 S -","- C9 H9 Cu N O5 S -","- C324 H324 Cu36 N36 O180 S36 -","36","1","","Yang, Jie; Lutz, Martin; Grzech, Anna; Mulder, Fokko M.; Dingemans, Theo J.","Copper-based coordination polymers from thiophene and furan dicarboxylates with high isosteric heats of hydrogen adsorption","CrystEngComm","2014","16","23","5121","","10.1039/c4ce00145a","","","0.71073","MoKα","","0.0473","0.0367","","","0.1204","0.1281","","","","","","1.141","","","","has coordinates,has disorder","180487","2020-10-21","18:00:00",""
"7215660","18.9198","0.0011","18.8335","0.0014","12.6671","0.0008","90","","92.396","0.003","90","","4509.7","0.5","150","2","150","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C18 H12 Cu3 O18 -","- C18 H12 Cu3 O18 -","- C72 H48 Cu12 O72 -","4","0.5","","Yang, Jie; Lutz, Martin; Grzech, Anna; Mulder, Fokko M.; Dingemans, Theo J.","Copper-based coordination polymers from thiophene and furan dicarboxylates with high isosteric heats of hydrogen adsorption","CrystEngComm","2014","16","23","5121","","10.1039/c4ce00145a","","","0.71073","MoKα","","0.0354","0.032","","","0.0835","0.085","","","","","","1.04","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215661","21.4985","0.0013","24.7145","0.0014","24.8218","0.0014","110.166","0.004","112.898","0.003","102.544","0.002","10420.7","1.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C222 H166 Cu24 N10 O120 -","- C222 H166 Cu24 N10 O120 -","- C222 H166 Cu24 N10 O120 -","1","0.5","","Yang, Jie; Lutz, Martin; Grzech, Anna; Mulder, Fokko M.; Dingemans, Theo J.","Copper-based coordination polymers from thiophene and furan dicarboxylates with high isosteric heats of hydrogen adsorption","CrystEngComm","2014","16","23","5121","","10.1039/c4ce00145a","","","0.71073","MoKα","","0.0969","0.0712","","","0.222","0.2456","","","","","","1.057","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215662","11.945","0.0002","9.5273","0.0001","5.3438","0.0001","90","","90","","90","","608.144","0.017","298","2","298","2","","","","","","","","4","P n 21 a","P -2ac -2n","33","Creatine form I","","","- C4 H9 N3 O2 -","- C4 H9 N3 O2 -","- C16 H36 N12 O8 -","4","1","","Arlin, Jean-Baptiste; Bhardwaj, Rajni M.; Johnston, Andrea; Miller, Gary J.; Bardin, Julie; MacDougall, Fiona; Fernandes, Philippe; Shankland, Kenneth; David, William I. F.; Florence, Alastair J.","Structure and stability of two polymorphs of creatine and its monohydrate","CrystEngComm","2014","16","35","8197","","10.1039/C4CE00508B","powder diffraction","","1.54056","","","","","","","","","","","2.099","","","","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215663","9.845","0.0003","5.8373","0.0002","11.6698","0.0003","90","","105.723","0.002","90","","645.55","0.03","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Creatine form II","","","- C4 H9 N3 O2 -","- C4 H9 N3 O2 -","- C16 H36 N12 O8 -","4","1","","Arlin, Jean-Baptiste; Bhardwaj, Rajni M.; Johnston, Andrea; Miller, Gary J.; Bardin, Julie; MacDougall, Fiona; Fernandes, Philippe; Shankland, Kenneth; David, William I. F.; Florence, Alastair J.","Structure and stability of two polymorphs of creatine and its monohydrate","CrystEngComm","2014","16","35","8197","","10.1039/C4CE00508B","powder diffraction","","1.54056","","","","","","","","","","","3.538","","","","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215664","17.4929","0.0014","4.7791","0.0004","10.1101","0.0008","90","","90","","90","","845.21","0.12","123","2","123","2","","","","","","","","4","P n a 21","P 2c -2n","33","Creatine formic acid solvate","","","- C5 H11 N3 O4 -","- C5 H11 N3 O4 -","- C20 H44 N12 O16 -","4","1","","Arlin, Jean-Baptiste; Bhardwaj, Rajni M.; Johnston, Andrea; Miller, Gary J.; Bardin, Julie; MacDougall, Fiona; Fernandes, Philippe; Shankland, Kenneth; David, William I. F.; Florence, Alastair J.","Structure and stability of two polymorphs of creatine and its monohydrate","CrystEngComm","2014","16","35","8197","","10.1039/C4CE00508B","","","0.71073","MoKα","","0.0595","0.0397","","","0.0831","0.0934","","","","","","1.013","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215665","10.075","0.006","11.026","0.006","16.317","0.008","90","","119.16","0.03","90","","1582.9","1.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 N O3 P -","- C18 H14 N O3 P -","- C72 H56 N4 O12 P4 -","4","1","","Puigjaner, Cristina; Vela, Sergi; Font-Bardia, Merce; Novoa, Juan J.","The Polymorphism of a Triarylphosphine oxide. A case of missing isomers.","CrystEngComm","2014","","","","","10.1039/c4ce00498a","","","0.71073","MoKα","","0.0927","0.0522","","","0.1189","0.1338","","","","","","1.073","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215666","18.635","0.009","10.871","0.004","16.459","0.005","90","","107.05","0.02","90","","3188","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H14 N O3 P -","- C18 H14 N O3 P -","- C144 H112 N8 O24 P8 -","8","1","","Puigjaner, Cristina; Vela, Sergi; Font-Bardia, Merce; Novoa, Juan J.","The Polymorphism of a Triarylphosphine oxide. A case of missing isomers.","CrystEngComm","2014","","","","","10.1039/c4ce00498a","","","0.71073","MoKα","","0.0958","0.0793","","","0.1557","0.1669","","","","","","1.205","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215667","7.2376","0.0006","8.981","0.0008","10.8011","0.0008","87.807","0.007","76.086","0.007","87.04","0.007","680.33","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","isonicotinamide - 3,5-dinitrobenzoic acid","4-Carbamoylpyridinium 3,5-dinitrobenzoate","","- C13 H10 N4 O7 -","- C13 H10 N4 O7 -","- C26 H20 N8 O14 -","2","1","","Seaton, Colin C.","Proton location in acid⋯pyridine hydrogen bonds of multi-component crystals","CrystEngComm","2014","16","26","5878","","10.1039/c4ce00043a","","","0.71073","MoKα","","0.0603","0.043","","","0.1102","0.1181","","","","","","0.974","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215668","7.0678","0.0004","8.8189","0.0005","16.2172","0.0009","93.761","0.005","90.458","0.005","95.498","0.005","1003.9","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","3,5-dinitrobenzoic acid isonicotinamide 3-aminobenzoic acid","","- C20 H17 N5 O9 -","- C20 H17 N5 O9 -","- C40 H34 N10 O18 -","2","1","","Seaton, Colin C.","Proton location in acid⋯pyridine hydrogen bonds of multi-component crystals","CrystEngComm","2014","16","26","5878","","10.1039/c4ce00043a","","","0.71073","MoKα","","0.0843","0.0376","","","0.0585","0.0634","","","","","","0.781","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215669","12.8093","0.0014","13.1563","0.0012","7.4708","0.0008","90","","90","","90","","1259","0.2","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","pyridinium-4-carboxamide 2,4,6-trihydroxybenzoate","","- C13 H12 N2 O6 -","- C13 H12 N2 O6 -","- C52 H48 N8 O24 -","4","1","","Seaton, Colin C.","Proton location in acid⋯pyridine hydrogen bonds of multi-component crystals","CrystEngComm","2014","16","26","5878","","10.1039/c4ce00043a","","","0.71073","MoKα","","0.0588","0.0352","","","0.0453","0.0482","","","","","","0.825","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215670","13.013","0.002","8.7755","0.0016","8.4187","0.0013","90","","103.902","0.005","90","","933.2","0.3","150","2","150","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C14 H15 La N10 O10 -","- C14 H15 La N10 O10 -","- C28 H30 La2 N20 O20 -","2","0.5","","Vilela, Sérgio M. F.; Ananias, Duarte; Silva, Patrícia; Nolasco, Mariela; Carlos, Luís D.; de Zea Bermudez, Verónica; Rocha, João; Tomé, João P. C.; Almeida Paz, Filipe A.","Coordination polymers based on a glycine-derivative ligand","CrystEngComm","2014","16","35","8119","","10.1039/C4CE00465E","","","0.71073","MoKα","","0.0766","0.0454","","","0.069","0.0766","","","","","","0.995","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215671","11.2216","0.0003","15.0063","0.0004","6.8432","0.0002","90","","90.245","0.002","90","","1152.35","0.06","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H10 Cl N5 O5 -","- C7 H10 Cl N5 O5 -","- C28 H40 Cl4 N20 O20 -","4","1","","Vilela, Sérgio M. F.; Ananias, Duarte; Silva, Patrícia; Nolasco, Mariela; Carlos, Luís D.; de Zea Bermudez, Verónica; Rocha, João; Tomé, João P. C.; Almeida Paz, Filipe A.","Coordination polymers based on a glycine-derivative ligand","CrystEngComm","2014","16","35","8119","","10.1039/C4CE00465E","","","0.71073","MoKα","","0.0657","0.0398","","","0.0943","0.1056","","","","","","1.015","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215672","7.2191","0.0005","24.9432","0.0019","7.4918","0.0005","90","","113.281","0.005","90","","1239.19","0.16","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H12 Cl N5 O4 -","- C9 H12 Cl N5 O4 -","- C36 H48 Cl4 N20 O16 -","4","1","","Vilela, Sérgio M. F.; Ananias, Duarte; Silva, Patrícia; Nolasco, Mariela; Carlos, Luís D.; de Zea Bermudez, Verónica; Rocha, João; Tomé, João P. C.; Almeida Paz, Filipe A.","Coordination polymers based on a glycine-derivative ligand","CrystEngComm","2014","16","35","8119","","10.1039/C4CE00465E","","","0.71073","MoKα","","0.0835","0.0476","","","0.1101","0.1275","","","","","","1.027","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215673","25.5089","0.0009","25.5089","0.0009","34.3318","0.0017","90","","90","","120","","19346.9","1.4","173","2","173","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C104 H458 Cl29 Dy25 Ni2 O364 -","- C96 H158 Cl5 Dy25 Ni2 O184 -","- C192 H316 Cl10 Dy50 Ni4 O368 -","2","0.166667","","Liu, Da-Peng; Peng, Jun-Bo; Lin, Xin-Ping; Huang, Que; Kong, Xiang-Jian; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Myo-inositol supported heterometallic Dy24M2 (M = Ni, Mn) cages","CrystEngComm","2014","16","25","5527","","10.1039/c4ce00362d","","","0.71073","MoKα","","0.1879","0.0893","","","0.1902","0.2274","","","","","","0.853","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215674","25.525","0.0011","25.525","0.0011","34.3906","0.0014","90","","90","","120","","19404.5","1.4","173","2","173","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C104 H458 Cl29 Dy25 Mn2 O364 -","- C96 H158 Cl5 Dy25 Mn2 O184 -","- C192 H316 Cl10 Dy50 Mn4 O368 -","2","0.166667","","Liu, Da-Peng; Peng, Jun-Bo; Lin, Xin-Ping; Huang, Que; Kong, Xiang-Jian; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Myo-inositol supported heterometallic Dy24M2 (M = Ni, Mn) cages","CrystEngComm","2014","16","25","5527","","10.1039/c4ce00362d","","","0.71073","MoKα","","0.2094","0.0877","","","0.1767","0.2193","","","","","","0.82","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215675","10.015","0.0006","9.668","0.0006","26.365","0.0016","90","","97.999","0.005","90","","2528","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C60 H48 N18 -","- C60 H48 N18 -","- C120 H96 N36 -","2","0.5","","Shi, Hua-Yu; Dong, Yun-Bo; Liu, Ying-Ying; Ma, Jian-Fang","Multinuclear coordination polymers based on Ag⋯Ag interaction: syntheses, structures, and luminescence properties","CrystEngComm","2014","16","23","5110","","10.1039/c4ce00236a","","","0.71069","MoKα","","0.1345","0.0743","","","0.1935","0.241","","","","","","1.002","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215676","11.653","0.0006","12.157","0.0007","13.87","0.0008","67.552","0.005","89.98","0.006","69.718","0.005","1683.55","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H28 Ag2 N10 O6 -","- C34 H26 Ag2 N10 O6 -","- C68 H52 Ag4 N20 O12 -","2","1","","Shi, Hua-Yu; Dong, Yun-Bo; Liu, Ying-Ying; Ma, Jian-Fang","Multinuclear coordination polymers based on Ag⋯Ag interaction: syntheses, structures, and luminescence properties","CrystEngComm","2014","16","23","5110","","10.1039/c4ce00236a","","","0.71069","MoKα","","0.0638","0.0486","","","0.1333","0.1468","","","","","","1.031","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215677","20.657","0.0008","14.236","0.0006","23.358","0.0009","90","","103.847","0.004","90","","6669.3","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C69 H56 Ag4 N20 O14 -","- C69 H51 Ag4 N20 O14 -","- C276 H204 Ag16 N80 O56 -","4","0.5","","Shi, Hua-Yu; Dong, Yun-Bo; Liu, Ying-Ying; Ma, Jian-Fang","Multinuclear coordination polymers based on Ag⋯Ag interaction: syntheses, structures, and luminescence properties","CrystEngComm","2014","16","23","5110","","10.1039/c4ce00236a","","","0.71069","MoKα","","0.0977","0.0571","","","0.1478","0.1736","","","","","","1.01","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215678","10.986","0.0004","12.307","0.0005","13.891","0.0006","82.446","0.004","68.707","0.004","71.97","0.003","1663.6","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H26 Ag3 N10 O7 -","- C34 H26 Ag3 N10 O7 -","- C68 H52 Ag6 N20 O14 -","2","1","","Shi, Hua-Yu; Dong, Yun-Bo; Liu, Ying-Ying; Ma, Jian-Fang","Multinuclear coordination polymers based on Ag⋯Ag interaction: syntheses, structures, and luminescence properties","CrystEngComm","2014","16","23","5110","","10.1039/c4ce00236a","","","0.71069","MoKα","","0.0621","0.0435","","","0.092","0.1032","","","","","","1.02","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215679","13.04","0.0008","13.95","0.0011","22.54","0.0015","107.566","0.007","96.682","0.005","96.412","0.006","3835.5","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H58 Ag6 N22 O16 -","- C74 H54 Ag6 N22 O16 -","- C148 H108 Ag12 N44 O32 -","2","1","","Shi, Hua-Yu; Dong, Yun-Bo; Liu, Ying-Ying; Ma, Jian-Fang","Multinuclear coordination polymers based on Ag⋯Ag interaction: syntheses, structures, and luminescence properties","CrystEngComm","2014","16","23","5110","","10.1039/c4ce00236a","","","0.71069","MoKα","","0.1821","0.0841","","","0.1783","0.2334","","","","","","0.988","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215680","12.675","0.0005","14.312","0.0007","15.22","0.0007","106.736","0.004","99.655","0.004","115.188","0.004","2254.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H34 Ag5 N10 O12 -","- C46 H29 Ag5 N10 O12 -","- C92 H58 Ag10 N20 O24 -","2","1","","Shi, Hua-Yu; Dong, Yun-Bo; Liu, Ying-Ying; Ma, Jian-Fang","Multinuclear coordination polymers based on Ag⋯Ag interaction: syntheses, structures, and luminescence properties","CrystEngComm","2014","16","23","5110","","10.1039/c4ce00236a","","","0.71073","MoKα","","0.0796","0.0498","","","0.1068","0.1245","","","","","","1.015","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215681","11.486","0.0006","12.951","0.0008","13.976","0.0006","85.015","0.004","79.768","0.004","65.61","0.005","1863.14","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H32 Ag2 N9 O8 -","- C42 H32 Ag2 N9 O8 -","- C84 H64 Ag4 N18 O16 -","2","1","","Shi, Hua-Yu; Dong, Yun-Bo; Liu, Ying-Ying; Ma, Jian-Fang","Multinuclear coordination polymers based on Ag⋯Ag interaction: syntheses, structures, and luminescence properties","CrystEngComm","2014","16","23","5110","","10.1039/c4ce00236a","","","0.71069","MoKα","","0.1017","0.0612","","","0.1375","0.163","","","","","","1.021","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215682","10.325","0.0007","14.158","0.001","14.916","0.001","68.417","0.007","71.336","0.007","81.65","0.006","1920","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H62 Ag6 N18 O18 -","- C88 H61 Ag6 N18 O18 -","- C88 H61 Ag6 N18 O18 -","1","0.5","","Shi, Hua-Yu; Dong, Yun-Bo; Liu, Ying-Ying; Ma, Jian-Fang","Multinuclear coordination polymers based on Ag⋯Ag interaction: syntheses, structures, and luminescence properties","CrystEngComm","2014","16","23","5110","","10.1039/c4ce00236a","","","0.71069","MoKα","","0.0814","0.0512","","","0.103","0.1197","","","","","","1.067","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215683","11.927","0.0007","13.94","0.0007","14.06","0.0009","71.773","0.005","79.535","0.005","74.679","0.005","2128.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H33 Ag3 N9 O10 -","- C46 H31 Ag3 N9 O10 -","- C92 H62 Ag6 N18 O20 -","2","1","","Shi, Hua-Yu; Dong, Yun-Bo; Liu, Ying-Ying; Ma, Jian-Fang","Multinuclear coordination polymers based on Ag⋯Ag interaction: syntheses, structures, and luminescence properties","CrystEngComm","2014","16","23","5110","","10.1039/c4ce00236a","","","0.71069","MoKα","","0.1174","0.0646","","","0.1405","0.176","","","","","","1.023","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215688","29.127","0.003","6.885","0.0002","18.849","0.0008","90","","114.089","0.006","90","","3450.8","0.4","100","2","100","2","","","","","","","see text","5","C 1 2 1","C 2y","5","Levofloxacin hemihydrate","","","- C36 H42 F2 N6 O9 -","- C36 H42 F2 N6 O9 -","- C144 H168 F8 N24 O36 -","4","1","","Singh, Shiv Shankar; Thakur, Tejender S.","New crystalline salt forms of levofloxacin: conformational analysis and attempts towards the crystal structure prediction of the anhydrous form","CrystEngComm","2014","16","20","4215","","10.1039/c4ce00263f","","x-ray","0.71073","MoKα","","0.1176","0.0624","","","0.1404","0.1636","","","","","","1.021","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215689","6.745","0.005","13.836","0.009","18.393","0.012","90","","95.38","0.011","90","","1709","2","100","2","100","2","","","","","","","see text","5","P 1 21 1","P 2yb","4","Levofloxacin Monohydrate","","","- C18 H22 F N3 O5 -","- C18 H22 F N3 O5 -","- C72 H88 F4 N12 O20 -","4","2","","Singh, Shiv Shankar; Thakur, Tejender S.","New crystalline salt forms of levofloxacin: conformational analysis and attempts towards the crystal structure prediction of the anhydrous form","CrystEngComm","2014","16","20","4215","","10.1039/c4ce00263f","","x-ray","0.71075","MoKα","","0.0768","0.061","","","0.1431","0.151","","","","","","1.069","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215690","17.856","0.003","6.989","0.001","36.502","0.007","90","","99.282","0.006","90","","4495.6","1.3","293","2","293","2","","","","","","","see text","5","C 1 2 1","C 2y","5","Levofloxacin Malonic Acid Hydrate","","","- C21 H21 F N3 O9 -","- C21 H21 F N3 O9 -","- C168 H168 F8 N24 O72 -","8","2","","Singh, Shiv Shankar; Thakur, Tejender S.","New crystalline salt forms of levofloxacin: conformational analysis and attempts towards the crystal structure prediction of the anhydrous form","CrystEngComm","2014","16","20","4215","","10.1039/c4ce00263f","","x-ray","0.71075","MoKα","","0.1829","0.0963","","","0.2613","0.3253","","","","","","1.032","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215691","6.83","0.004","34.84","0.02","9.908","0.006","90","","105.713","0.012","90","","2270","2","293","2","293","2","","","","","","","see text","5","P 1 21 1","P 2yb","4","Levofloxacin Maleic acid salt","","","- C22 H20 F N3 O8 -","- C22 H20 F N3 O8 -","- C88 H80 F4 N12 O32 -","4","2","","Singh, Shiv Shankar; Thakur, Tejender S.","New crystalline salt forms of levofloxacin: conformational analysis and attempts towards the crystal structure prediction of the anhydrous form","CrystEngComm","2014","16","20","4215","","10.1039/c4ce00263f","","x-ray","0.71073","MoKα","","0.1829","0.0869","","","0.1726","0.2264","","","","","","1.025","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215692","18.103","0.0012","6.741","0.0004","23.923","0.0017","90","","93.8","0.007","90","","2913","0.3","293","2","293","2","","","","","","","see text","5","C 1 2 1","C 2y","5","Levofloxacin Tetramethylene glutaric acid salt","","","- C27 H29 F N3 O8 -","- C27 H29 F N3 O8 -","- C108 H116 F4 N12 O32 -","4","1","","Singh, Shiv Shankar; Thakur, Tejender S.","New crystalline salt forms of levofloxacin: conformational analysis and attempts towards the crystal structure prediction of the anhydrous form","CrystEngComm","2014","16","20","4215","","10.1039/c4ce00263f","","x-ray","0.71073","MoKα","","0.1699","0.0887","","","0.2253","0.2615","","","","","","0.996","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215693","9.984","0.002","17.199","0.003","19.058","0.004","67.254","0.008","86.503","0.012","77.145","0.011","2941.2","1","100","2","100","2","","","","","","","see text","5","P 1","P 1","1","","","","- C114 H126 F6 N18 O47 -","- C114 H126 F6 N18 O47 -","- C114 H126 F6 N18 O47 -","1","1","","Singh, Shiv Shankar; Thakur, Tejender S.","New crystalline salt forms of levofloxacin: conformational analysis and attempts towards the crystal structure prediction of the anhydrous form","CrystEngComm","2014","16","20","4215","","10.1039/c4ce00263f","","x-ray","0.71073","MoKα","","0.0544","0.0458","","","0.1102","0.1161","","","","","","1.013","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215694","17.06","0.02","6.916","0.007","19.12","0.02","90","","110.106","0.017","90","","2118","4","293","2","293","2","","","","","","","see text","5","C 1 2 1","C 2y","5","","","","- C20 H21 F N3 O8 -","- C20 H21 F N3 O8 -","- C80 H84 F4 N12 O32 -","4","1","","Singh, Shiv Shankar; Thakur, Tejender S.","New crystalline salt forms of levofloxacin: conformational analysis and attempts towards the crystal structure prediction of the anhydrous form","CrystEngComm","2014","16","20","4215","","10.1039/c4ce00263f","","x-ray","0.71073","MoKα","","0.1369","0.0834","","","0.2168","0.2733","","","","","","1.018","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215695","9.135","0.002","12.008","0.003","16.533","0.005","79.91","0.013","78.135","0.014","73.833","0.013","1691.1","0.8","100","","100","2","","","","","","","see text","5","P 1","P 1","1","Levofloxacin 3,5-dinitrobenzoate 1:2","","","- C32 H28 F N7 O16 -","- C32 H28 F N7 O16 -","- C64 H56 F2 N14 O32 -","2","2","","Singh, Shiv Shankar; Thakur, Tejender S.","New crystalline salt forms of levofloxacin: conformational analysis and attempts towards the crystal structure prediction of the anhydrous form","CrystEngComm","2014","16","20","4215","","10.1039/c4ce00263f","","x-ray","0.71075","MoKα","","0.0438","0.0353","","","0.0824","0.0888","","","","","","1.01","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215696","9.9165","0.0006","13.0528","0.0007","10.9693","0.0007","90","","101.633","0.006","90","","1390.68","0.15","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H10 Mn N2 O5 -","- C12 H8 Mn N2 O5 -","- C48 H32 Mn4 N8 O20 -","4","2","","He, Yuan-Chun; Guo, Jiao; Zhang, Hong-Mei; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Syntheses of two coordination polymers with rutile-type topology and the single-crystal-to-single-crystal transformation of Mg(ii) complex induced by methanol","CrystEngComm","2014","16","20","4210","","10.1039/c3ce42660b","","","0.71073","MoKα","","0.138","0.0725","","","0.1713","0.2182","","","","","","1.04","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215697","9.846","0.0012","12.8415","0.0013","10.9975","0.0013","90","","99.39","0.012","90","","1371.9","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H10 Mg N2 O5 -","- C12 H8 Mg N2 O5 -","- C48 H32 Mg4 N8 O20 -","4","2","","He, Yuan-Chun; Guo, Jiao; Zhang, Hong-Mei; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Syntheses of two coordination polymers with rutile-type topology and the single-crystal-to-single-crystal transformation of Mg(ii) complex induced by methanol","CrystEngComm","2014","16","20","4210","","10.1039/c3ce42660b","","","0.71073","MoKα","","0.0927","0.066","","","0.1697","0.1923","","","","","","1.054","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215698","7.699","0.003","7.897","0.003","9.378","0.003","84.34","0.03","72.67","0.03","64.01","0.04","488.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H24 Mg N2 O8 -","- C16 H24 Mg N2 O8 -","- C16 H24 Mg N2 O8 -","1","0.5","","He, Yuan-Chun; Guo, Jiao; Zhang, Hong-Mei; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Syntheses of two coordination polymers with rutile-type topology and the single-crystal-to-single-crystal transformation of Mg(ii) complex induced by methanol","CrystEngComm","2014","16","20","4210","","10.1039/c3ce42660b","","","0.71073","MoKα","","0.0986","0.0649","","","0.1756","0.2124","","","","","","1.037","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215699","5.1633","0.0011","9.5569","0.0019","12.229","0.003","87.326","0.003","83.816","0.003","76.459","0.003","583.1","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H12 N10 O3 -","- C6 H12 N10 O3 -","- C12 H24 N20 O6 -","2","1","","Su, Zhiyong; Liu, Xiangyu; Yang, Qi; Zhang, Sheng; Wei, Qing; Xie, Gang; Chen, Sanping; Gao, Shengli","Intermolecular interaction influenced energy and sensitivity of highly energetic salts: structure and physicochemical properties","CrystEngComm","2014","16","20","4245","","10.1039/c4ce00259h","","","0.71073","MoKα","","0.0839","0.0667","","","0.2099","0.2373","","","","","","1.016","","","","has coordinates","180487","2020-10-21","18:00:00",""
"7215700","3.6377","0.001","11.723","0.003","12.387","0.003","90","","97.696","0.005","90","","523.5","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H8 N10 O4 -","- C4 H8 N10 O4 -","- C8 H16 N20 O8 -","2","0.5","","Su, Zhiyong; Liu, Xiangyu; Yang, Qi; Zhang, Sheng; Wei, Qing; Xie, Gang; Chen, Sanping; Gao, Shengli","Intermolecular interaction influenced energy and sensitivity of highly energetic salts: structure and physicochemical properties","CrystEngComm","2014","16","20","4245","","10.1039/c4ce00259h","","","0.71073","MoKα","","0.0902","0.0529","","","0.1315","0.1819","","","","","","1.04","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215701","13.559","0.003","8.9163","0.0017","6.7232","0.0013","90","","93.051","0.004","90","","811.7","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C2 H7 N7 O6 -","- C2 H7 N7 O6 -","- C8 H28 N28 O24 -","4","1","","Su, Zhiyong; Liu, Xiangyu; Yang, Qi; Zhang, Sheng; Wei, Qing; Xie, Gang; Chen, Sanping; Gao, Shengli","Intermolecular interaction influenced energy and sensitivity of highly energetic salts: structure and physicochemical properties","CrystEngComm","2014","16","20","4245","","10.1039/c4ce00259h","","","0.71073","MoKα","","0.0674","0.043","","","0.097","0.1099","","","","","","1.007","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215702","7.1272","0.0012","12.249","0.002","12.943","0.002","71.973","0.002","89.308","0.002","89.483","0.002","1074.4","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Acetone Solvate (2)","","","- C38 H48 Ag2 B2 F8 N8 O2 -","- C38 H48 Ag2 B2 F8 N8 O2 -","- C38 H48 Ag2 B2 F8 N8 O2 -","1","0.5","","du Plessis, Marike; Smith, Vincent J.; Barbour, Leonard J.","Single-crystal to single-crystal guest exchange and phase transformations in a porous metallocycle","CrystEngComm","2014","16","20","4126","","10.1039/c4ce00244j","","","0.71073","MoKα","","0.0322","0.031","","","0.0753","0.0759","","","","","","1.174","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7215703","7.091","0.0019","20.479","0.006","14.855","0.005","90","","91.038","0.004","90","","2156.8","1.1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Chloroform Solvate (3)","","","- C34 H38 Ag2 B2 Cl6 F8 N8 -","- C34 H38 Ag2 B2 Cl6 F8 N8 -","- C68 H76 Ag4 B4 Cl12 F16 N16 -","2","0.5","","du Plessis, Marike; Smith, Vincent J.; Barbour, Leonard J.","Single-crystal to single-crystal guest exchange and phase transformations in a porous metallocycle","CrystEngComm","2014","16","20","4126","","10.1039/c4ce00244j","","","0.71073","MoKα","","0.0807","0.0573","","","0.1403","0.1515","","","","","","1.061","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7215704","7.102","0.0018","12.388","0.003","12.794","0.003","72.237","0.004","89.284","0.004","89.239","0.004","1071.8","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Benzene Solvate","","","- C38 H42 Ag2 B2 F8 N8 -","- C37.994 H41.994 Ag2 B2 F8 N8 -","- C37.994 H41.994 Ag2 B2 F8 N8 -","1","0.5","","du Plessis, Marike; Smith, Vincent J.; Barbour, Leonard J.","Single-crystal to single-crystal guest exchange and phase transformations in a porous metallocycle","CrystEngComm","2014","16","20","4126","","10.1039/c4ce00244j","","","0.71073","MoKα","","0.051","0.0372","","","0.0868","0.0937","","","","","","1.005","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7215705","7.0814","0.0011","12.445","0.002","12.837","0.002","71.505","0.002","89.185","0.002","89.43","0.002","1072.7","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","Difluorobenzene Solvate","","","- C38 H40 Ag2 B2 F10 N8 -","- C38 H40 Ag2 B2 F10 N8 -","- C38 H40 Ag2 B2 F10 N8 -","1","0.5","","du Plessis, Marike; Smith, Vincent J.; Barbour, Leonard J.","Single-crystal to single-crystal guest exchange and phase transformations in a porous metallocycle","CrystEngComm","2014","16","20","4126","","10.1039/c4ce00244j","","","0.71073","MoKα","","0.051","0.0459","","","0.1125","0.1148","","","","","","1.153","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7215706","6.9746","0.001","12.0647","0.0017","13.1454","0.0018","72.422","0.002","87.762","0.002","86.363","0.002","1052.1","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Toluene Solvate (6)","","","- C39 H43 Ag2 B2 F8 N8 -","- C39 H43 Ag2 B2 F8 N8 -","- C39 H43 Ag2 B2 F8 N8 -","1","0.5","","du Plessis, Marike; Smith, Vincent J.; Barbour, Leonard J.","Single-crystal to single-crystal guest exchange and phase transformations in a porous metallocycle","CrystEngComm","2014","16","20","4126","","10.1039/c4ce00244j","","","0.71073","MoKα","","0.0552","0.0412","","","0.0911","0.0962","","","","","","1.026","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7215707","5.6482","0.0011","15.05","0.003","8.6769","0.0017","90","","93.73","0.03","90","","736","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 N4 O2 -","- C18 H14 N4 O2 -","- C36 H28 N8 O4 -","2","0.5","","Cheng, Nongyi; Yan, Qifan; Liu, Shuai; Zhao, Dahui","Probing the intermolecular interactions of aromatic amides containing N-heterocycles and triptycene","CrystEngComm","2014","16","20","4265","","10.1039/c4ce00089g","","","0.71073","MoKα","","0.0664","0.0614","","","0.1283","0.1313","","","","","","1.191","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215708","18.047","0.004","5.2394","0.001","7.8799","0.0016","90","","94.25","0.03","90","","743","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 N2 O2 -","- C20 H16 N2 O2 -","- C40 H32 N4 O4 -","2","0.5","","Cheng, Nongyi; Yan, Qifan; Liu, Shuai; Zhao, Dahui","Probing the intermolecular interactions of aromatic amides containing N-heterocycles and triptycene","CrystEngComm","2014","16","20","4265","","10.1039/c4ce00089g","","","1.54187","CuKα","","0.1104","0.0931","","","0.1685","0.1756","","","","","","1.199","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215709","48.195","0.01","13.492","0.003","19.716","0.004","90","","112.39","0.03","90","","11854","5","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H24 N2 O2 -","- C34 H24 N2 O2 -","- C544 H384 N32 O32 -","16","2","","Cheng, Nongyi; Yan, Qifan; Liu, Shuai; Zhao, Dahui","Probing the intermolecular interactions of aromatic amides containing N-heterocycles and triptycene","CrystEngComm","2014","16","20","4265","","10.1039/c4ce00089g","","","0.71073","MoKα","","0.1407","0.1002","","","0.2549","0.2724","","","","","","1.374","","","","has coordinates,has disorder","180488","2020-10-21","18:00:00",""
"7215710","4.813","0.003","9.377","0.005","15.91","0.009","90","","90.696","0.009","90","","718","0.7","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 N4 O2 -","- C18 H14 N4 O2 -","- C36 H28 N8 O4 -","2","0.5","","Cheng, Nongyi; Yan, Qifan; Liu, Shuai; Zhao, Dahui","Probing the intermolecular interactions of aromatic amides containing N-heterocycles and triptycene","CrystEngComm","2014","16","20","4265","","10.1039/c4ce00089g","","","0.71073","MoKα","","0.0744","0.0623","","","0.1107","0.1163","","","","","","1.17","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215711","5.4114","0.0011","20.902","0.004","6.7857","0.0014","90","","107.29","0.03","90","","732.8","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 N3 O2 -","- C19 H15 N3 O2 -","- C38 H30 N6 O4 -","2","0.5","","Cheng, Nongyi; Yan, Qifan; Liu, Shuai; Zhao, Dahui","Probing the intermolecular interactions of aromatic amides containing N-heterocycles and triptycene","CrystEngComm","2014","16","20","4265","","10.1039/c4ce00089g","","","0.71073","MoKα","","0.0795","0.0686","","","0.119","0.1244","","","","","","1.208","","","","has coordinates,has disorder","180488","2020-10-21","18:00:00",""
"7215712","5.307","0.0011","21.226","0.004","6.883","0.0014","90","","107.01","0.03","90","","741.4","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 N2 O2 -","- C20 H16 N2 O2 -","- C40 H32 N4 O4 -","2","0.5","","Cheng, Nongyi; Yan, Qifan; Liu, Shuai; Zhao, Dahui","Probing the intermolecular interactions of aromatic amides containing N-heterocycles and triptycene","CrystEngComm","2014","16","20","4265","","10.1039/c4ce00089g","","","0.71073","MoKα","","0.0751","0.064","","","0.1308","0.1369","","","","","","1.152","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215713","31.3858","0.0014","24.8618","0.0013","13.1852","0.0007","90","","112.774","0.005","90","","9486.4","0.9","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C124.5 H122.5 Co9 N23.5 O47.5 -","- C108 H72 Co9 N18 O42 -","- C216 H144 Co18 N36 O84 -","2","0.25","","Kang, Yao; Wang, Fei","A highly-connected metal‒organic framework based on [Co2(μ2-OH2)] units and mononuclear Co centers with high gas uptake capacity","CrystEngComm","2014","16","20","4088","","10.1039/c3ce42361a","","","0.71073","MoKα","","0.0894","0.0639","","","0.1787","0.1941","","","","","","0.955","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215714","29.958","0.004","29.958","0.004","15.57","0.003","90","","90","","120","","12102","3","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C32 H40 N12 O16 Pb2 -","- C32 H40 N12 O16 Pb2 -","- C288 H360 N108 O144 Pb18 -","9","0.5","","Guo, Chun-Li; Li, Xiao-Zeng; Zhang, Xing-Mei; Wang, Lu; Zhu, Li-Na","A novel porous metal‒organic framework from a new bis(acylhydrazone) ligand capable of reversibly adsorbing/desorbing water and small alcohol molecules","CrystEngComm","2014","16","20","4095","","10.1039/c4ce00140k","","","0.71073","MoKα","","0.0671","0.0571","","","0.1431","0.1503","","","","","","1.14","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215715","27.13","0.005","11.761","0.002","43.999","0.013","90","","128.01","0.02","90","","11061","5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C124 H84 Cu2 La2 N10 O28 -","- C124 H84 Cu2 La2 N10 O28 -","- C496 H336 Cu8 La8 N40 O112 -","4","1","","Fang, Wei-Hui; Yang, Guo-Yu","Heterometal‒organic framework with pcu net constructed from mixed linear ligands","CrystEngComm","2014","16","20","4091","","10.1039/c4ce00282b","","","0.71073","MoKα","","0.106","0.0879","","","0.2419","0.2648","","","","","","1.028","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215716","6.785","0.005","7.594","0.006","10.591","0.008","70.714","0.015","77.107","0.014","88.869","0.014","501.2","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H6 Cu N4 O4 -","- C8 H6 Cu N4 O4 -","- C16 H12 Cu2 N8 O8 -","2","1","","Yang, Lan; Zhang, Sheng; Liu, Xiangyu; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping","Effect of phenylacetic acid coligands on the structures and magnetic properties of azido-bridged copper(ii)-chain compounds","CrystEngComm","2014","16","20","4194","","10.1039/c3ce42532k","","","0.71073","MoKα","","0.1716","0.0858","","","0.1803","0.236","","","","","","1.049","","","","has coordinates,has disorder","180488","2020-10-21","18:00:00",""
"7215717","17.787","0.003","6.6764","0.0013","8.4841","0.0016","90","","102.003","0.003","90","","985.5","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 Cu N3 O2 -","- C9 H9 Cu N3 O2 -","- C36 H36 Cu4 N12 O8 -","4","1","","Yang, Lan; Zhang, Sheng; Liu, Xiangyu; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping","Effect of phenylacetic acid coligands on the structures and magnetic properties of azido-bridged copper(ii)-chain compounds","CrystEngComm","2014","16","20","4194","","10.1039/c3ce42532k","","","0.71073","MoKα","","0.0907","0.0508","","","0.121","0.1628","","","","","","1.003","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215718","13.5498","0.0016","6.5985","0.0008","13.6226","0.0016","90","","116.118","0.002","90","","1093.6","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H8 Cu N4 O5 -","- C8 H8 Cu N4 O5 -","- C32 H32 Cu4 N16 O20 -","4","1","","Yang, Lan; Zhang, Sheng; Liu, Xiangyu; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping","Effect of phenylacetic acid coligands on the structures and magnetic properties of azido-bridged copper(ii)-chain compounds","CrystEngComm","2014","16","20","4194","","10.1039/c3ce42532k","","","0.71073","MoKα","","0.0439","0.0331","","","0.0795","0.0855","","","","","","1.075","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215719","6.8518","0.0004","11.3764","0.0006","17.4137","0.0008","90","","90","","90","","1357.38","0.12","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2-methoxy-6-(naphthalene-2-yliminomethyl)-phenol","2-methoxy-6-(naphthalene-2-yliminomethyl)-phenol","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C72 H60 N4 O8 -","4","1","","Zbačnik, M.; Kaitner, B.","Ex situ and in situ monitoring of the syntheses of thermochromic Schiff bases","CrystEngComm","2014","16","20","4162","","10.1039/c3ce42583e","","x-ray","0.71073","MoKα","","0.0328","0.0288","","","0.0732","0.0743","","","","","","1.083","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7215720","7.0652","0.0004","11.3687","0.0006","17.5723","0.0008","90","","90","","90","","1411.44","0.13","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2-methoxy-6-(naphthalene-2-yliminomethyl)-phenol","2-methoxy-6-(naphthalene-2-yliminomethyl)-phenol","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C72 H60 N4 O8 -","4","1","","Zbačnik, M.; Kaitner, B.","Ex situ and in situ monitoring of the syntheses of thermochromic Schiff bases","CrystEngComm","2014","16","20","4162","","10.1039/c3ce42583e","","x-ray","0.71073","MoKα","","0.0592","0.0315","","","0.067","0.0717","","","","","","0.854","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7215721","12.2742","0.0003","15.2924","0.0004","16.6009","0.0005","69.246","0.003","80.702","0.002","70.336","0.002","2740.72","0.14","110","2","110","2","","","","","","","","4","P -1","-P 1","2","2-Methoxy-6-(Naphthalene-1-yliminomethyl)-phenol","2-Methoxy-6-(Naphthalene-1-yliminomethyl)-phenol","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C144 H120 N8 O16 -","8","4","","Zbačnik, M.; Kaitner, B.","Ex situ and in situ monitoring of the syntheses of thermochromic Schiff bases","CrystEngComm","2014","16","20","4162","","10.1039/c3ce42583e","","x-ray","0.71073","MoKα","","0.08","0.0387","","","0.0792","0.086","","","","","","0.826","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7215722","12.3034","0.0004","15.406","0.0005","16.9536","0.0004","69.62","0.002","80.598","0.002","70.17","0.003","2829.99","0.16","298","2","298","2","","","","","","","","4","P -1","-P 1","2","2-methoxy-6-(naphthalene-1-yliminomethyl)-phenol","2-methoxy-6-(naphthalene-1-yliminomethyl)-phenol","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C144 H120 N8 O16 -","8","4","","Zbačnik, M.; Kaitner, B.","Ex situ and in situ monitoring of the syntheses of thermochromic Schiff bases","CrystEngComm","2014","16","20","4162","","10.1039/c3ce42583e","","x-ray","1.54184","CuKα","","0.0489","0.0441","","","0.1218","0.1284","","","","","","1.039","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7215723","11.9796","0.0004","9.9836","0.0004","10.9926","0.0004","90","","103.664","0.004","90","","1277.5","0.08","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-(naphthalen-1-yliminomethyl)-benzene-1,4-diol","2-(naphthalen-1-yliminomethyl)-benzene-1,4-diol","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C68 H52 N4 O8 -","4","1","","Zbačnik, M.; Kaitner, B.","Ex situ and in situ monitoring of the syntheses of thermochromic Schiff bases","CrystEngComm","2014","16","20","4162","","10.1039/c3ce42583e","","x-ray","0.71073","MoKα","","0.0395","0.0347","","","0.0935","0.0958","","","","","","1.071","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7215724","11.9699","0.0006","10.1432","0.0007","11.0736","0.0007","90","","103.312","0.005","90","","1308.35","0.14","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-(naphthalen-1-yliminomethyl)-benzene-1,4-diol","2-(naphthalen-1-yliminomethyl)-benzene-1,4-diol","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C68 H52 N4 O8 -","4","1","","Zbačnik, M.; Kaitner, B.","Ex situ and in situ monitoring of the syntheses of thermochromic Schiff bases","CrystEngComm","2014","16","20","4162","","10.1039/c3ce42583e","","x-ray","0.71073","MoKα","","0.0485","0.038","","","0.1104","0.1153","","","","","","1.091","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7215725","11.6407","0.0008","12.0666","0.0009","12.0964","0.0008","90","","91.535","0.007","90","","1698.5","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-(benzhydrylimino-methyl)-6-methoxy-phenol","2-(benzhydrylimino-methyl)-6-methoxy-phenol","","- C21 H19 N O2 -","- C21 H19 N O2 -","- C84 H76 N4 O8 -","4","1","","Zbačnik, M.; Kaitner, B.","Ex situ and in situ monitoring of the syntheses of thermochromic Schiff bases","CrystEngComm","2014","16","20","4162","","10.1039/c3ce42583e","","x-ray","0.71073","MoKα","","0.0716","0.0531","","","0.1191","0.1312","","","","","","1.045","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7215726","11.756","0.002","12.176","0.002","12.2037","0.0019","90","","91.224","0.015","90","","1746.5","0.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-(benzhydrylimino-methyl)-6-methoxy-phenol","2-(benzhydrylimino-methyl)-6-methoxy-phenol","","- C21 H19 N O2 -","- C21 H19 N O2 -","- C84 H76 N4 O8 -","4","1","","Zbačnik, M.; Kaitner, B.","Ex situ and in situ monitoring of the syntheses of thermochromic Schiff bases","CrystEngComm","2014","16","20","4162","","10.1039/c3ce42583e","","x-ray","0.71073","MoKα","","0.2084","0.0345","","","0.0491","0.0651","","","","","","0.605","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7215727","12.678","0.012","12.682","0.012","15.44","0.014","90","","96.706","0.01","90","","2465","4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- B20 H22 K8 O57 V6 -","- B20 K8 O57 V6 -","- B40 K16 O114 V12 -","2","0.5","","An, Litao; Zhou, Jian; Xiao, Hong-Ping; Liu, Xing; Zou, Huahong; Pan, Chun-Yang; Liu, Meihua; Li, Jianhui","A series of new 3-D boratopolyoxovanadates containing five types of [KxOy]n building units","CrystEngComm","2014","16","20","4236","","10.1039/c4ce00073k","","","0.71073","MoKα","","0.0408","0.0393","","","0.1162","0.1172","","","","","","1.094","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215728","19.49","0.02","19.16","0.02","20.09","0.02","90","","91.785","0.012","90","","7499","13","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C8 H68 B18 K6 N6 O76 V12 -","- C8 B18 K6 N6 O76 V12 -","- C32 B72 K24 N24 O304 V48 -","4","0.5","","An, Litao; Zhou, Jian; Xiao, Hong-Ping; Liu, Xing; Zou, Huahong; Pan, Chun-Yang; Liu, Meihua; Li, Jianhui","A series of new 3-D boratopolyoxovanadates containing five types of [KxOy]n building units","CrystEngComm","2014","16","20","4236","","10.1039/c4ce00073k","","","0.71073","MoKα","","0.0559","0.0482","","","0.1275","0.133","","","","","","1.181","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7215729","22.3371","0.001","12.5753","0.0006","22.3967","0.0011","90","","116.864","0.001","90","","5612.2","0.5","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C8 H58 B20 K2 N6 O59 V6 -","- C8 H32 B20 K2 N6 O59 V6 -","- C32 H128 B80 K8 N24 O236 V24 -","4","0.5","","An, Litao; Zhou, Jian; Xiao, Hong-Ping; Liu, Xing; Zou, Huahong; Pan, Chun-Yang; Liu, Meihua; Li, Jianhui","A series of new 3-D boratopolyoxovanadates containing five types of [KxOy]n building units","CrystEngComm","2014","16","20","4236","","10.1039/c4ce00073k","","","0.71073","MoKα","","0.0654","0.0632","","","0.1626","0.1645","","","","","","1.057","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215730","18.212","0.002","19.276","0.002","19.306","0.002","90","","90","","90","","6777.5","1.2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- B18 H36 K10 O75 V12 -","- B18 K10 O75 V12 -","- B72 K40 O300 V48 -","4","0.5","","An, Litao; Zhou, Jian; Xiao, Hong-Ping; Liu, Xing; Zou, Huahong; Pan, Chun-Yang; Liu, Meihua; Li, Jianhui","A series of new 3-D boratopolyoxovanadates containing five types of [KxOy]n building units","CrystEngComm","2014","16","20","4236","","10.1039/c4ce00073k","","","0.71073","MoKα","","0.0696","0.0621","","","0.194","0.2029","","","","","","1.197","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7215731","11.901","0.012","13.365","0.014","13.987","0.014","117.07","0.011","96.342","0.012","107.344","0.013","1810","3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- B18 H46 K10 O80 V12 -","- B18 K10 O80 V12 -","- B18 K10 O80 V12 -","1","0.5","","An, Litao; Zhou, Jian; Xiao, Hong-Ping; Liu, Xing; Zou, Huahong; Pan, Chun-Yang; Liu, Meihua; Li, Jianhui","A series of new 3-D boratopolyoxovanadates containing five types of [KxOy]n building units","CrystEngComm","2014","16","20","4236","","10.1039/c4ce00073k","","","0.71073","MoKα","","0.0753","0.0669","","","0.1924","0.2009","","","","","","1.048","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215732","8.1577","0.0006","10.1407","0.0008","18.2913","0.0014","95.207","0.001","94.88","0.001","98.663","0.001","1482.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H10 F4 N2 O4 -","- C14 H10 F4 N2 O4 -","- C56 H40 F16 N8 O16 -","4","2","","Wang, Lei; Hu, Yanjing; Wang, Wenqiang; Liu, Faqian; Huang, Keke","Energetic multi-component molecular solids of tetrafluoroterephthalic acid with some aza compounds by strong hydrogen bonds and weak intermolecular interactions of C‒H⋯F and C‒H⋯O","CrystEngComm","2014","16","20","4142","","10.1039/c4ce00133h","","","0.71073","MoKα","","0.077","0.0568","","","0.167","0.1823","","","","","","1.07","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215733","7.825","0.0004","9.0424","0.0004","11.634","0.0004","92.81","0.003","105.233","0.004","115.272","0.005","705.88","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H10 F4 N2 O4 -","- C14 H10 F4 N2 O4 -","- C28 H20 F8 N4 O8 -","2","1","","Wang, Lei; Hu, Yanjing; Wang, Wenqiang; Liu, Faqian; Huang, Keke","Energetic multi-component molecular solids of tetrafluoroterephthalic acid with some aza compounds by strong hydrogen bonds and weak intermolecular interactions of C‒H⋯F and C‒H⋯O","CrystEngComm","2014","16","20","4142","","10.1039/c4ce00133h","","","0.71073","MoKα","","0.0959","0.0637","","","0.1626","0.1871","","","","","","1.034","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215734","4.886","0.0012","11.475","0.003","17.771","0.004","90","","90.01","0.01","90","","996.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 F4 N10 O4 -","- C16 H16 F4 N10 O4 -","- C32 H32 F8 N20 O8 -","2","0.5","","Wang, Lei; Hu, Yanjing; Wang, Wenqiang; Liu, Faqian; Huang, Keke","Energetic multi-component molecular solids of tetrafluoroterephthalic acid with some aza compounds by strong hydrogen bonds and weak intermolecular interactions of C‒H⋯F and C‒H⋯O","CrystEngComm","2014","16","20","4142","","10.1039/c4ce00133h","","","0.71073","MoKα","","0.053","0.044","","","0.1384","0.1446","","","","","","1.083","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215735","7.657","0.0004","10.0492","0.0008","11.3387","0.0004","89.108","0.004","86.461","0.003","83.07","0.005","864.42","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H22 F8 N10 O8 -","- C34 H22 F8 N10 O8 -","- C34 H22 F8 N10 O8 -","1","0.5","","Wang, Lei; Hu, Yanjing; Wang, Wenqiang; Liu, Faqian; Huang, Keke","Energetic multi-component molecular solids of tetrafluoroterephthalic acid with some aza compounds by strong hydrogen bonds and weak intermolecular interactions of C‒H⋯F and C‒H⋯O","CrystEngComm","2014","16","20","4142","","10.1039/c4ce00133h","","","0.71073","MoKα","","0.068","0.0472","","","0.1202","0.1367","","","","","","1.042","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215736","28.889","0.002","9.7001","0.0008","19.7288","0.0016","90","","129.198","0.001","90","","4284.4","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H30 F12 N6 O12 -","- C48 H29 F12 N6 O12 -","- C192 H116 F48 N24 O48 -","4","0.5","","Wang, Lei; Hu, Yanjing; Wang, Wenqiang; Liu, Faqian; Huang, Keke","Energetic multi-component molecular solids of tetrafluoroterephthalic acid with some aza compounds by strong hydrogen bonds and weak intermolecular interactions of C‒H⋯F and C‒H⋯O","CrystEngComm","2014","16","20","4142","","10.1039/c4ce00133h","","","0.71073","MoKα","","0.1089","0.0626","","","0.1658","0.1912","","","","","","0.909","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215737","7.3027","0.0006","9.6227","0.0007","9.7417","0.0007","94.022","0.006","109.536","0.007","90.479","0.006","643.2","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H9 F4 N2 O4 -","- C13 H9 F4 N2 O4 -","- C26 H18 F8 N4 O8 -","2","1","","Wang, Lei; Hu, Yanjing; Wang, Wenqiang; Liu, Faqian; Huang, Keke","Energetic multi-component molecular solids of tetrafluoroterephthalic acid with some aza compounds by strong hydrogen bonds and weak intermolecular interactions of C‒H⋯F and C‒H⋯O","CrystEngComm","2014","16","20","4142","","10.1039/c4ce00133h","","","0.71073","MoKα","","0.0635","0.0448","","","0.1011","0.1181","","","","","","1.054","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215738","6.1044","0.0004","12.0203","0.0006","20.6007","0.0013","90","","97.195","0.005","90","","1499.71","0.16","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 F4 N3 O6 -","- C13 H11 F4 N3 O6 -","- C52 H44 F16 N12 O24 -","4","1","","Wang, Lei; Hu, Yanjing; Wang, Wenqiang; Liu, Faqian; Huang, Keke","Energetic multi-component molecular solids of tetrafluoroterephthalic acid with some aza compounds by strong hydrogen bonds and weak intermolecular interactions of C‒H⋯F and C‒H⋯O","CrystEngComm","2014","16","20","4142","","10.1039/c4ce00133h","","","0.71073","MoKα","","0.1075","0.053","","","0.086","0.1035","","","","","","0.999","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215739","9.0755","0.0004","36.884","0.002","9.7005","0.0003","90","","93.508","0.003","90","","3241.1","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 F8 N4 O9 -","- C32 H24 F8 N4 O9 -","- C128 H96 F32 N16 O36 -","4","1","","Wang, Lei; Hu, Yanjing; Wang, Wenqiang; Liu, Faqian; Huang, Keke","Energetic multi-component molecular solids of tetrafluoroterephthalic acid with some aza compounds by strong hydrogen bonds and weak intermolecular interactions of C‒H⋯F and C‒H⋯O","CrystEngComm","2014","16","20","4142","","10.1039/c4ce00133h","","","0.71073","MoKα","","0.0932","0.0548","","","0.111","0.1276","","","","","","1.024","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215740","7.1153","0.0005","8.4148","0.0006","14.4196","0.0013","99.895","0.001","97.073","0.002","111.878","0.001","772.54","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H22 F8 N4 O8 -","- C32 H20 F8 N4 O8 -","- C32 H20 F8 N4 O8 -","1","0.5","","Wang, Lei; Hu, Yanjing; Wang, Wenqiang; Liu, Faqian; Huang, Keke","Energetic multi-component molecular solids of tetrafluoroterephthalic acid with some aza compounds by strong hydrogen bonds and weak intermolecular interactions of C‒H⋯F and C‒H⋯O","CrystEngComm","2014","16","20","4142","","10.1039/c4ce00133h","","","0.71073","MoKα","","0.0644","0.0531","","","0.1488","0.1597","","","","","","1.083","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215741","13.982","0.003","6.4735","0.0015","15.002","0.004","90","","100.43","0.003","90","","1335.4","0.6","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-({((1S,2R,5S)-6,6-Dimethylbicyclo[3.1.1]hept-2-yl)methyl}sulfonyl)ethanol","","- C12 H22 O3 S -","- C12 H22 O3 S -","- C48 H88 O12 S4 -","4","2","","Lodochnikova, Olga A.; Startseva, Valeriya A.; Nikitina, Liliya E.; Bodrov, Andrei V.; Klimovitskii, Alexander E.; Klimovitskii, Evgenii N.; Litvinov, Igor A.","When two symmetrically independent molecules must be different: “Crystallization-induced diastereomerization” of chiral pinanyl sulfone","CrystEngComm","2014","16","20","4314","","10.1039/c3ce42642d","","x-ray","0.71073","MoKα","","0.131","0.0601","","","0.1446","0.1743","","","","","","0.975","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215742","6.7596","0.0002","31.6474","0.0008","7.9922","0.0003","90","","108.548","0.003","90","","1620.91","0.09","110","0.1","110","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H F4 I O2 -","- C7 H F4 I O2 -","- C56 H8 F32 I8 O16 -","8","4","","Takemura, Akihiro; McAllister, Linda J.; Karadakov, Peter B.; Pridmore, Natalie E.; Whitwood, Adrian C.; Bruce, Duncan W.","Competition and cooperation: hydrogen and halogen bonding in co-crystals involving 4-iodotetrafluorobenzoic acid, 4-iodotetrafluorophenol and 4-bromotetrafluorophenol","CrystEngComm","2014","16","20","4254","","10.1039/c4ce00319e","","","0.7107","MoKα","","0.035918","0.034122","","","0.0808","0.084841","","","","","","1.04612","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215743","6.2546","0.0004","7.8761","0.0004","11.5781","0.0006","78.743","0.005","75.347","0.005","83.455","0.005","539.94","0.05","110","0.1","110","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C9 H5 F4 I O2 S -","- C9 H5 F4 I O2 S -","- C18 H10 F8 I2 O4 S2 -","2","1","","Takemura, Akihiro; McAllister, Linda J.; Karadakov, Peter B.; Pridmore, Natalie E.; Whitwood, Adrian C.; Bruce, Duncan W.","Competition and cooperation: hydrogen and halogen bonding in co-crystals involving 4-iodotetrafluorobenzoic acid, 4-iodotetrafluorophenol and 4-bromotetrafluorophenol","CrystEngComm","2014","16","20","4254","","10.1039/c4ce00319e","","","0.7107","MoKα","","0.0383","0.0346","","","0.1","0.1025","","","","","","1.097","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215744","5.7209","0.0007","10.3273","0.0013","14.4539","0.0017","107.044","0.011","99.741","0.01","92.149","0.01","801.24","0.18","110","0.1","110","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C26 H29 F8 I2 N3 O4 S3 -","- C26 H29 F8 I2 N3 O4 S3 -","- C26 H29 F8 I2 N3 O4 S3 -","1","0.5","","Takemura, Akihiro; McAllister, Linda J.; Karadakov, Peter B.; Pridmore, Natalie E.; Whitwood, Adrian C.; Bruce, Duncan W.","Competition and cooperation: hydrogen and halogen bonding in co-crystals involving 4-iodotetrafluorobenzoic acid, 4-iodotetrafluorophenol and 4-bromotetrafluorophenol","CrystEngComm","2014","16","20","4254","","10.1039/c4ce00319e","","","0.7107","MoKα","","0.0695","0.0494","","","0.1024","0.1123","","","","","","1.066","","","","has coordinates,has disorder","180488","2020-10-21","18:00:00",""
"7215745","6.295","0.0003","6.3948","0.0005","8.09","0.003","90","","104.161","0.013","90","","315.77","0.12","110","0.1","110","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H8 O2 S2 -","- C4 H8 O2 S2 -","- C8 H16 O4 S4 -","2","0.5","","Takemura, Akihiro; McAllister, Linda J.; Karadakov, Peter B.; Pridmore, Natalie E.; Whitwood, Adrian C.; Bruce, Duncan W.","Competition and cooperation: hydrogen and halogen bonding in co-crystals involving 4-iodotetrafluorobenzoic acid, 4-iodotetrafluorophenol and 4-bromotetrafluorophenol","CrystEngComm","2014","16","20","4254","","10.1039/c4ce00319e","","","0.7107","MoKα","","0.0337","0.0292","","","0.0759","0.0827","","","","","","1.139","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215746","5.89886","0.00016","21.0112","0.0005","16.1143","0.0004","90","","95.557","0.003","90","","1987.85","0.09","110.05","0.1","110.05","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 Br2 F8 O4 S2 -","- C16 H10 Br2 F8 O4 S2 -","- C64 H40 Br8 F32 O16 S8 -","4","1","","Takemura, Akihiro; McAllister, Linda J.; Karadakov, Peter B.; Pridmore, Natalie E.; Whitwood, Adrian C.; Bruce, Duncan W.","Competition and cooperation: hydrogen and halogen bonding in co-crystals involving 4-iodotetrafluorobenzoic acid, 4-iodotetrafluorophenol and 4-bromotetrafluorophenol","CrystEngComm","2014","16","20","4254","","10.1039/c4ce00319e","","","0.7107","MoKα","","0.0395","0.0292","","","0.0612","0.0651","","","","","","1.032","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215747","9.1682","0.0014","9.4618","0.0016","12.3198","0.0016","75.183","0.014","74.084","0.013","79.202","0.014","985.6","0.3","110","0.1","110","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C16 H10 F8 I2 O3 S -","- C16 H10 F8 I2 O3 S -","- C32 H20 F16 I4 O6 S2 -","2","1","","Takemura, Akihiro; McAllister, Linda J.; Karadakov, Peter B.; Pridmore, Natalie E.; Whitwood, Adrian C.; Bruce, Duncan W.","Competition and cooperation: hydrogen and halogen bonding in co-crystals involving 4-iodotetrafluorobenzoic acid, 4-iodotetrafluorophenol and 4-bromotetrafluorophenol","CrystEngComm","2014","16","20","4254","","10.1039/c4ce00319e","","","0.7107","MoKα","","0.0317","0.0254","","","0.0517","0.0556","","","","","","1.044","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215748","16.0299","0.0011","4.0059","0.0002","25.154","0.003","90","","106.546","0.009","90","","1548.4","0.2","110","0.1","110","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H9 F4 I N2 O -","- C16 H9 F4 I N2 O -","- C64 H36 F16 I4 N8 O4 -","4","1","","Takemura, Akihiro; McAllister, Linda J.; Karadakov, Peter B.; Pridmore, Natalie E.; Whitwood, Adrian C.; Bruce, Duncan W.","Competition and cooperation: hydrogen and halogen bonding in co-crystals involving 4-iodotetrafluorobenzoic acid, 4-iodotetrafluorophenol and 4-bromotetrafluorophenol","CrystEngComm","2014","16","20","4254","","10.1039/c4ce00319e","","","0.7107","MoKα","","0.0724","0.0651","","","0.1239","0.1267","","","","","","1.325","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215749","6.954","0.0003","7.6099","0.0003","8.6454","0.0003","106.098","0.002","101.881","0.002","93.586","0.002","426.66","0.03","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H9 N3 O2 -","- C9 H9 N3 O2 -","- C18 H18 N6 O4 -","2","1","","Sankararaman, Sethuraman; V, Ramkumar; Sureshbabu, Beemineni","Substituent effect on the formation of helical to layered hydrogen bond network in hydroxyl and carboxyl substituted 1-aryl-1H-1,2,3-triazoles.","CrystEngComm","2014","","","","","10.1039/c4ce00738g","","","0.71073","MoKα","","0.0495","0.0401","","","0.1273","0.133","","","","","","1.603","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215750","5.0172","0.0011","9.3768","0.0019","21.357","0.004","90","","96.602","0.01","90","","998.1","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H7 N3 O4 -","- C10 H7 N3 O4 -","- C40 H28 N12 O16 -","4","1","","Sankararaman, Sethuraman; V, Ramkumar; Sureshbabu, Beemineni","Substituent effect on the formation of helical to layered hydrogen bond network in hydroxyl and carboxyl substituted 1-aryl-1H-1,2,3-triazoles.","CrystEngComm","2014","","","","","10.1039/c4ce00738g","","","0.71073","MoKα","","0.0865","0.0546","","","0.1173","0.1308","","","","","","1.074","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215751","5.2611","0.0002","9.6714","0.0004","19.3615","0.0008","90","","90","","90","","985.16","0.07","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H9 N3 O3 -","- C10 H9 N3 O3 -","- C40 H36 N12 O12 -","4","1","","Sankararaman, Sethuraman; V, Ramkumar; Sureshbabu, Beemineni","Substituent effect on the formation of helical to layered hydrogen bond network in hydroxyl and carboxyl substituted 1-aryl-1H-1,2,3-triazoles.","CrystEngComm","2014","","","","","10.1039/c4ce00738g","","","0.71073","MoKα","","0.0316","0.0295","","","0.0745","0.0767","","","","","","1.067","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215752","14.5117","0.0007","5.1416","0.0002","12.3092","0.0006","90","","107.607","0.002","90","","875.41","0.07","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H7 N3 O3 -","- C9 H7 N3 O3 -","- C36 H28 N12 O12 -","4","1","","Sankararaman, Sethuraman; V, Ramkumar; Sureshbabu, Beemineni","Substituent effect on the formation of helical to layered hydrogen bond network in hydroxyl and carboxyl substituted 1-aryl-1H-1,2,3-triazoles.","CrystEngComm","2014","","","","","10.1039/c4ce00738g","","","0.71073","MoKα","","0.0395","0.0323","","","0.1036","0.1186","","","","","","0.907","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215753","5.7364","0.0002","11.9294","0.0005","18.466","0.0009","90","","90","","90","","1263.66","0.09","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H11 N3 O2 -","- C15 H11 N3 O2 -","- C60 H44 N12 O8 -","4","1","","Sankararaman, Sethuraman; V, Ramkumar; Sureshbabu, Beemineni","Substituent effect on the formation of helical to layered hydrogen bond network in hydroxyl and carboxyl substituted 1-aryl-1H-1,2,3-triazoles.","CrystEngComm","2014","","","","","10.1039/c4ce00738g","","","0.71073","MoKα","","0.0765","0.0476","","","0.0852","0.0973","","","","","","1.043","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215754","5.5178","0.0008","6.735","0.001","13.337","0.002","87.308","0.006","82.823","0.006","74.791","0.006","474.48","0.12","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H9 N3 O3 -","- C10 H9 N3 O3 -","- C20 H18 N6 O6 -","2","1","","Sankararaman, Sethuraman; V, Ramkumar; Sureshbabu, Beemineni","Substituent effect on the formation of helical to layered hydrogen bond network in hydroxyl and carboxyl substituted 1-aryl-1H-1,2,3-triazoles.","CrystEngComm","2014","","","","","10.1039/c4ce00738g","","","0.71073","MoKα","","0.0839","0.0591","","","0.1584","0.1933","","","","","","1.178","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215755","7.4126","0.0006","7.672","0.0006","8.1731","0.0006","88.391","0.006","83.564","0.006","80.059","0.006","454.92","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H13 N3 O -","- C8 H13 N3 O -","- C16 H26 N6 O2 -","2","1","","Jones, P. G.; Taouss, Christina","Lutidine Adducts of Urea: Molecular Mechanisms for Twinning Effects on Cooling","CrystEngComm","2014","","","","","10.1039/c4ce00560k","","","1.54184","CuKα","","0.0419","0.039","","","0.1046","0.1073","","","","","","1.047","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215756","8.0772","0.0003","7.2986","0.0003","20.4169","0.0007","90","","90","","90","","1203.62","0.08","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C9 H17 N5 O2 -","- C9 H17 N5 O2 -","- C36 H68 N20 O8 -","4","0.5","","Jones, P. G.; Taouss, Christina","Lutidine Adducts of Urea: Molecular Mechanisms for Twinning Effects on Cooling","CrystEngComm","2014","","","","","10.1039/c4ce00560k","","","0.71073","MoKα","","0.0481","0.0408","","","0.1051","0.11","","","","","","1.062","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215757","8.5829","0.0004","21.4843","0.0008","7.205","0.0004","90","","114.405","0.006","90","","1209.87","0.11","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C9 H17 N5 O2 -","- C9 H17 N5 O2 -","- C36 H68 N20 O8 -","4","1","","Jones, P. G.; Taouss, Christina","Lutidine Adducts of Urea: Molecular Mechanisms for Twinning Effects on Cooling","CrystEngComm","2014","","","","","10.1039/c4ce00560k","","","1.54184","CuKα","","0.0473","0.0469","","","0.1312","0.1319","","","","","","1.083","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215758","21.7368","0.0015","7.2102","0.0006","15.5904","0.0015","90","","90","","90","","2443.4","0.4","173","2","173","2","","","","","","","","4","A b m 2","A 2 -2b","39","","","","- C9 H17 N5 O2 -","- C9 H17 N5 O2 -","- C72 H136 N40 O16 -","8","","","Jones, P. G.; Taouss, Christina","Lutidine Adducts of Urea: Molecular Mechanisms for Twinning Effects on Cooling","CrystEngComm","2014","","","","","10.1039/c4ce00560k","","","0.71073","MoKα","","0.0527","0.0397","","","0.0833","0.0889","","","","","","1.043","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215759","11.426","0.002","11.1168","0.0009","7.4318","0.0008","90","","101.235","0.015","90","","925.9","0.2","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H13 N3 O -","- C8 H13 N3 O -","- C32 H52 N12 O4 -","4","0.5","","Jones, P. G.; Taouss, Christina","Lutidine Adducts of Urea: Molecular Mechanisms for Twinning Effects on Cooling","CrystEngComm","2014","","","","","10.1039/c4ce00560k","","","0.71073","MoKα","","0.0633","0.0526","","","0.1262","0.1343","","","","","","1.04","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215760","10.13","0.002","10.646","0.002","28.531","0.006","90","","94.23","0.03","90","","3068.5","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H18 Cd2 N10 O10 -","- C30 H18 Cd2 N10 O10 -","- C120 H72 Cd8 N40 O40 -","4","1","","Liu, Kang; Peng, Yu; Yang, Fen; Ma, Dingxuan; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Three metal‒organic frameworks based on the semirigid V-shaped 5-(3-amino-tetrazole-5-phenoxy)-isophthalic acid ligand: syntheses, topological structures and properties","CrystEngComm","2014","16","21","4382","","10.1039/c4ce00105b","","","0.71073","MoKα","","0.0518","0.0394","","","0.0804","0.0859","","","","","","1.085","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215761","19.408","0.004","38.069","0.008","14.436","0.003","90","","105.32","0.03","90","","10287","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C45 H23.5 Mn3 N15 O18.25 -","- C45 H21 Mn3 N15 O18.25 -","- C360 H168 Mn24 N120 O146 -","8","1","","Liu, Kang; Peng, Yu; Yang, Fen; Ma, Dingxuan; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Three metal‒organic frameworks based on the semirigid V-shaped 5-(3-amino-tetrazole-5-phenoxy)-isophthalic acid ligand: syntheses, topological structures and properties","CrystEngComm","2014","16","21","4382","","10.1039/c4ce00105b","","","0.71073","MoKα","","0.1106","0.0652","","","0.1651","0.1917","","","","","","1.014","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215762","9.976","0.002","9.999","0.002","17.099","0.003","85.38","0.03","75.37","0.03","84.31","0.03","1639.5","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H19 Cu3 N10 O12 -","- C30 H18 Cu3 N10 O12.5 -","- C60 H36 Cu6 N20 O25 -","2","1","","Liu, Kang; Peng, Yu; Yang, Fen; Ma, Dingxuan; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Three metal‒organic frameworks based on the semirigid V-shaped 5-(3-amino-tetrazole-5-phenoxy)-isophthalic acid ligand: syntheses, topological structures and properties","CrystEngComm","2014","16","21","4382","","10.1039/c4ce00105b","","","0.71073","MoKα","","0.0601","0.0438","","","0.1169","0.1277","","","","","","1.09","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215763","4.6927","0.0003","13.1132","0.001","14.7084","0.0014","90","","90.09","0.006","90","","905.1","0.12","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-hydroxy-3[1-(3,4,5-trimethoxy-benzylimino)-ethyl]chromen-2-one","","- C21 H21 N O6 -","- C21 H21 N O6 -","- C42 H42 N2 O12 -","2","1","","Małecka, Magdalena; Budzisz, Elzbieta","A structural framework of biologically active coumarin derivatives: crystal structure and Hirshfeld surface analysis","CrystEngComm","2014","16","29","6654","","10.1039/c4ce00499j","","","0.71073","MoKα","","0.0574","0.0337","","","0.0536","0.0564","","","","","","0.8","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215764","11.4149","0.0003","15.5812","0.0003","15.0592","0.0004","90","","126.999","0.002","90","","2139.09","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-hydroxy-3-[phenyl-(3,4,5-tromethoxy-bezylimino)-methyl] chromen-2-one","","- C26 H23 N O6 -","- C26 H23 N O6 -","- C104 H92 N4 O24 -","4","1","","Małecka, Magdalena; Budzisz, Elzbieta","A structural framework of biologically active coumarin derivatives: crystal structure and Hirshfeld surface analysis","CrystEngComm","2014","16","29","6654","","10.1039/c4ce00499j","","","0.71073","MoKα","","0.0555","0.0331","","","0.0689","0.0721","","","","","","0.861","","","","has coordinates,has disorder","180488","2020-10-21","18:00:00",""
"7215765","8.166","0.003","17.642","0.003","10.775","0.004","90","","117.06","0.02","90","","1382.4","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-hydroxy-3-[(2-imidazol-1-yl-ethylimino)-methyl]-chromen-2-one","","- C16 H15 N3 O3 -","- C16 H15 N3 O3 -","- C64 H60 N12 O12 -","4","1","","Małecka, Magdalena; Budzisz, Elzbieta","A structural framework of biologically active coumarin derivatives: crystal structure and Hirshfeld surface analysis","CrystEngComm","2014","16","29","6654","","10.1039/c4ce00499j","","","0.6","synchrotron","","0.0366","0.0355","","","0.0977","0.0986","","","","","","1.031","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215766","8.4362","0.0005","10.7119","0.0007","19.9504","0.0017","94.185","0.006","102.2","0.006","94.855","0.005","1748.2","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H40 Br2 Cd N4 O12 -","- C30 H40 Br2 Cd N4 O12 -","- C60 H80 Br4 Cd2 N8 O24 -","2","1","","Fu, Kai; Ren, Cai-Xia; Chen, Cheng; Cai, Li-Xuan; Tan, Bin; Zhang, Jie","Auxiliary ligand-controlled photochromism and decolourization of two bipyridinium-based metal‒organic hybrid materials with various water clusters","CrystEngComm","2014","16","23","5134","","10.1039/c4ce00295d","","","0.71073","MoKα","","0.0724","0.058","","","0.1523","0.1614","","","","","","1.065","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215767","9.324","0.002","11.882","0.003","12.235","0.003","70.286","0.01","75.784","0.012","68.281","0.011","1174.1","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H26 Br Cd N2 O10 -","- C19 H26 Br Cd N2 O10 -","- C38 H52 Br2 Cd2 N4 O20 -","2","1","","Fu, Kai; Ren, Cai-Xia; Chen, Cheng; Cai, Li-Xuan; Tan, Bin; Zhang, Jie","Auxiliary ligand-controlled photochromism and decolourization of two bipyridinium-based metal‒organic hybrid materials with various water clusters","CrystEngComm","2014","16","23","5134","","10.1039/c4ce00295d","","","0.71073","MoKα","","0.0633","0.0579","","","0.179","0.1847","","","","","","1.006","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215768","4.8042","0.0002","14.8701","0.0005","15.6243","0.0005","67.284","0.003","85.298","0.003","88.19","0.003","1026.14","0.07","295","2","295","2","","","","","","","","4","P -1","-P 1","2","Tetraglycine","Glycyl-glycyl-glycyl-glycine","","- C8 H14 N4 O5 -","- C8 H14 N4 O5 -","- C32 H56 N16 O20 -","4","2","","Smith, Aaron J.; Ali, Farukh I.; Soldatov, Dmitriy V.","Glycine homopeptides: the effect of the chain length on the crystal structure and solid state reactivity","CrystEngComm","2014","16","31","7196","","10.1039/C4CE00630E","","","1.54184","CuKα","","0.0404","0.0391","","","0.1101","0.1116","","","","","","1.018","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215769","4.7995","0.0003","14.9108","0.0015","17.6905","0.0019","90.203","0.008","94.866","0.007","91.976","0.007","1260.7","0.2","295","2","295","2","","","","","","","","4","P -1","-P 1","2","Pentaglycine","Glycyl-glycyl-glycyl-glycyl-glycine","","- C10 H17 N5 O6 -","- C10 H17 N5 O6 -","- C40 H68 N20 O24 -","4","2","","Smith, Aaron J.; Ali, Farukh I.; Soldatov, Dmitriy V.","Glycine homopeptides: the effect of the chain length on the crystal structure and solid state reactivity","CrystEngComm","2014","16","31","7196","","10.1039/C4CE00630E","","","1.54184","CuKα","","0.1074","0.0858","","","0.235","0.2538","","","","","","1.047","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215775","13.6808","0.0004","12.634","0.0002","12.783","0.0003","90","","116.983","0.004","90","","1968.94","0.11","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C3.5 H19.7 F4 Fe4 N2 O14.43 P4 -","- C3.5 H18.57 F4 Fe4 N2 O14.43 P4 -","- C14 H74.28 F16 Fe16 N8 O57.72 P16 -","4","1","","Orive Gomez de Segura, Joseba; Fernández de Luis, Roberto; Rodriguez Fernandez, J.; Legarra, Estibaliz; Plazaola, Fernando; Arriortua, María Isabel","Fluorinated mixed valence Fe(II)-Fe(III) phosphites with channels templated by linear tetramine chains. Structural and magnetic implications of partial replacement of Fe(II) by Co(II)","CrystEngComm","2014","","","","","10.1039/c4ce00264d","","","0.71073","MoKα","","0.0873","0.0867","","","0.2067","0.2069","","","","","","1.128","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7215776","13.6823","0.0004","12.6063","0.0003","12.7535","0.0004","90","","116.988","0.004","90","","1960.21","0.12","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C3.5 H20 Co1.29 F4 Fe2.71 N2 O14.38 P4 -","- C3.5 H19.62 Co1.32 F4 Fe2.68 N2 O14.38 P4 -","- C14 H78.48 Co5.28 F16 Fe10.72 N8 O57.52 P16 -","4","1","","Orive Gomez de Segura, Joseba; Fernández de Luis, Roberto; Rodriguez Fernandez, J.; Legarra, Estibaliz; Plazaola, Fernando; Arriortua, María Isabel","Fluorinated mixed valence Fe(II)-Fe(III) phosphites with channels templated by linear tetramine chains. Structural and magnetic implications of partial replacement of Fe(II) by Co(II)","CrystEngComm","2014","","","","","10.1039/c4ce00264d","","","0.71073","MoKα","","0.0676","0.0658","","","0.1384","0.1391","","","","","","1.131","","","","has coordinates,has disorder","180488","2020-10-21","18:00:00",""
"7215779","14.3171","0.0003","17.6113","0.0003","20.4106","0.0003","90","","90","","90","","5146.38","0.16","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H56 Ag4 I12 N8 -","- C20 H56 Ag4 I12 N8 -","- C80 H224 Ag16 I48 N32 -","4","0.5","","Yu, Tanlai; Shen, Junju; Fu, Yangbo; Fu, Yunlong","Solvent-cooperatively directed iodoargentate hybrids: Structures and optical properties","CrystEngComm","2014","16","24","5280","","10.1039/c3ce42579g","","","0.71073","MoKα","","0.0484","0.0361","","","0.0785","0.0852","","","","","","1.043","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215780","7.7685","0.0003","14.0322","0.0004","12.8393","0.0004","90","","94.638","0.003","90","","1395.02","0.08","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H32 Ag2 I6 N4 O2 -","- C10 H32 Ag2 I6 N4 O2 -","- C20 H64 Ag4 I12 N8 O4 -","2","0.5","","Yu, Tanlai; Shen, Junju; Fu, Yangbo; Fu, Yunlong","Solvent-cooperatively directed iodoargentate hybrids: Structures and optical properties","CrystEngComm","2014","16","24","5280","","10.1039/c3ce42579g","","","0.71073","MoKα","","0.0373","0.0292","","","0.0597","0.0638","","","","","","1.044","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215781","11.43","0.002","8.641","0.0017","14.858","0.003","90","","109.533","0.003","90","","1383","0.5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H32 Ag2 I6 N4 O2 -","- C10 H28 Ag2 I6 N4 O2 -","- C20 H56 Ag4 I12 N8 O4 -","2","0.5","","Yu, Tanlai; Shen, Junju; Fu, Yangbo; Fu, Yunlong","Solvent-cooperatively directed iodoargentate hybrids: Structures and optical properties","CrystEngComm","2014","16","24","5280","","10.1039/c3ce42579g","","","0.71073","MoKα","","0.0384","0.0292","","","0.0778","0.1124","","","","","","1.222","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215782","13.5726","0.0005","25.6551","0.0011","7.9367","0.0003","90","","93.767","0.004","90","","2757.64","0.19","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H38 Ag10 I12 N2 O4 S4 -","- C13 H10 Ag10 I12 N2 O4 S4 -","- C26 H20 Ag20 I24 N4 O8 S8 -","2","0.5","","Yu, Tanlai; Shen, Junju; Fu, Yangbo; Fu, Yunlong","Solvent-cooperatively directed iodoargentate hybrids: Structures and optical properties","CrystEngComm","2014","16","24","5280","","10.1039/c3ce42579g","","","0.71073","MoKα","","0.0722","0.0516","","","0.1076","0.1185","","","","","","1.045","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215783","8.856","0.0008","9.3709","0.0009","12.7384","0.0012","90","","90","","90","","1057.14","0.17","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H13 Ag I2 N2 -","- C5 H10 Ag I2 N2 -","- C20 H40 Ag4 I8 N8 -","4","0.5","","Yu, Tanlai; Shen, Junju; Fu, Yangbo; Fu, Yunlong","Solvent-cooperatively directed iodoargentate hybrids: Structures and optical properties","CrystEngComm","2014","16","24","5280","","10.1039/c3ce42579g","","","0.71073","MoKα","","0.08","0.0798","","","0.1857","0.1859","","","","","","1.342","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215784","21.0624","0.0007","23.7188","0.0007","24.3861","0.0007","90","","90","","90","","12182.7","0.6","293","2","293","2","","","","","","","","7","I b c a","-I 2b 2c","73","","","","- C9 H26 Ag4 I6 N2 O2 S2 -","- C9 H14 Ag4 I6 N2 O2 S2 -","- C144 H224 Ag64 I96 N32 O32 S32 -","16","1","","Yu, Tanlai; Shen, Junju; Fu, Yangbo; Fu, Yunlong","Solvent-cooperatively directed iodoargentate hybrids: Structures and optical properties","CrystEngComm","2014","16","24","5280","","10.1039/c3ce42579g","","","0.71073","MoKα","","0.0702","0.0455","","","0.0939","0.1041","","","","","","1.07","","","","has coordinates,has disorder","180488","2020-10-21","18:00:00",""
"7215785","10.5218","0.0005","8.1301","0.0004","16.0861","0.0007","90","","97.522","0.004","90","","1364.22","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H13 Ag2 I3 N2 -","- C5 H13 Ag2 I3 N2 -","- C20 H52 Ag8 I12 N8 -","4","1","","Yu, Tanlai; Shen, Junju; Fu, Yangbo; Fu, Yunlong","Solvent-cooperatively directed iodoargentate hybrids: Structures and optical properties","CrystEngComm","2014","16","24","5280","","10.1039/c3ce42579g","","","0.71073","MoKα","","0.0577","0.0391","","","0.0838","0.0967","","","","","","1.038","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215786","8.1241","0.0003","30.3843","0.001","15.6616","0.0005","90","","90","","90","","3866","0.2","110","2","110","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C27 H23 La2 N5 O14 -","- C27 H23 La2 N5 O14 -","- C108 H92 La8 N20 O56 -","4","0.5","","Nandi, Goutam; Thakuria, Ranjit; Titi, Hatem M.; Patra, Ranjan; Goldberg, Israel","Synthesis, structure, topology and magnetic properties of new coordination polymers based on 5(‒Br/‒COOH)-substituted nicotinic acid","CrystEngComm","2014","16","24","5244","","10.1039/c4ce00300d","","","0.71073","MoKα","","0.051","0.0434","","","0.1085","0.1113","","","","","","1.08","","","","has coordinates,has disorder","180488","2020-10-21","18:00:00",""
"7215787","8.1162","0.0004","30.2842","0.0014","15.6709","0.0007","90","","90","","90","","3851.8","0.3","110","2","110","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C27 H23 Ce2 N5 O14 -","- C27 H23 Ce2 N5 O14 -","- C108 H92 Ce8 N20 O56 -","4","0.5","","Nandi, Goutam; Thakuria, Ranjit; Titi, Hatem M.; Patra, Ranjan; Goldberg, Israel","Synthesis, structure, topology and magnetic properties of new coordination polymers based on 5(‒Br/‒COOH)-substituted nicotinic acid","CrystEngComm","2014","16","24","5244","","10.1039/c4ce00300d","","","0.71073","MoKα","","0.0478","0.0401","","","0.1004","0.1028","","","","","","1.087","","","","has coordinates,has disorder","180488","2020-10-21","18:00:00",""
"7215788","8.5085","0.0004","16.0156","0.0008","27.9393","0.0014","90","","90","","90","","3807.3","0.3","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H23 N5 O14 Tb2 -","- C27 H23 N5 O14 Tb2 -","- C108 H92 N20 O56 Tb8 -","4","1","","Nandi, Goutam; Thakuria, Ranjit; Titi, Hatem M.; Patra, Ranjan; Goldberg, Israel","Synthesis, structure, topology and magnetic properties of new coordination polymers based on 5(‒Br/‒COOH)-substituted nicotinic acid","CrystEngComm","2014","16","24","5244","","10.1039/c4ce00300d","","","0.71073","MoKα","","0.0513","0.0418","","","0.1008","0.105","","","","","","1.06","","","","has coordinates,has disorder","180488","2020-10-21","18:00:00",""
"7215789","14.2109","0.0005","17.6868","0.0006","14.211","0.0005","90","","118.306","0.002","90","","3144.8","0.2","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H14 Br4 Co2 N4 O9 -","- C24 H14 Br4 Co2 N4 O9 -","- C96 H56 Br16 Co8 N16 O36 -","4","1","","Nandi, Goutam; Thakuria, Ranjit; Titi, Hatem M.; Patra, Ranjan; Goldberg, Israel","Synthesis, structure, topology and magnetic properties of new coordination polymers based on 5(‒Br/‒COOH)-substituted nicotinic acid","CrystEngComm","2014","16","24","5244","","10.1039/c4ce00300d","","","0.71073","MoKα","","0.0463","0.0373","","","0.1034","0.1068","","","","","","1.089","","","","has coordinates,has disorder","180488","2020-10-21","18:00:00",""
"7215790","12.0504","0.0003","9.9837","0.0002","24.8139","0.0005","90","","101.298","0.001","90","","2927.45","0.11","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H6 Br2 Cd N2 O4 -","- C12 H6 Br2 Cd N2 O4 -","- C96 H48 Br16 Cd8 N16 O32 -","8","1","","Nandi, Goutam; Thakuria, Ranjit; Titi, Hatem M.; Patra, Ranjan; Goldberg, Israel","Synthesis, structure, topology and magnetic properties of new coordination polymers based on 5(‒Br/‒COOH)-substituted nicotinic acid","CrystEngComm","2014","16","24","5244","","10.1039/c4ce00300d","","","0.71073","MoKα","","0.0275","0.0233","","","0.0457","0.0468","","","","","","1.084","","","","has coordinates,has disorder","180488","2020-10-21","18:00:00",""
"7215791","13.2579","0.0005","11.438","0.0003","28.745","0.001","90","","99.887","0.002","90","","4294.3","0.2","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H30 Mn3 N6 O15 -","- C31 H30 Mn3 N6 O15 -","- C124 H120 Mn12 N24 O60 -","4","1","","Nandi, Goutam; Thakuria, Ranjit; Titi, Hatem M.; Patra, Ranjan; Goldberg, Israel","Synthesis, structure, topology and magnetic properties of new coordination polymers based on 5(‒Br/‒COOH)-substituted nicotinic acid","CrystEngComm","2014","16","24","5244","","10.1039/c4ce00300d","","","0.71073","MoKα","","0.081","0.0668","","","0.1727","0.1797","","","","","","1.043","","","","has coordinates,has disorder","180488","2020-10-21","18:00:00",""
"7215792","10.8285","0.0004","11.1933","0.0004","14.799","0.0006","90","","90","","90","","1793.74","0.12","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 N3 O6 Zn -","- C15 H21 N3 O6 Zn -","- C60 H84 N12 O24 Zn4 -","4","1","","Nandi, Goutam; Thakuria, Ranjit; Titi, Hatem M.; Patra, Ranjan; Goldberg, Israel","Synthesis, structure, topology and magnetic properties of new coordination polymers based on 5(‒Br/‒COOH)-substituted nicotinic acid","CrystEngComm","2014","16","24","5244","","10.1039/c4ce00300d","","","0.71073","MoKα","","0.032","0.0283","","","0.0639","0.0651","","","","","","1.042","","","","has coordinates,has disorder","180488","2020-10-21","18:00:00",""
"7215793","9.2879","0.0003","11.9733","0.0003","16.3513","0.0005","90","","101.709","0.0016","90","","1780.54","0.09","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H21 Cd N3 O6 -","- C15 H21 Cd N3 O6 -","- C60 H84 Cd4 N12 O24 -","4","2","","Nandi, Goutam; Thakuria, Ranjit; Titi, Hatem M.; Patra, Ranjan; Goldberg, Israel","Synthesis, structure, topology and magnetic properties of new coordination polymers based on 5(‒Br/‒COOH)-substituted nicotinic acid","CrystEngComm","2014","16","24","5244","","10.1039/c4ce00300d","","","0.71073","MoKα","","0.0398","0.0328","","","0.0653","0.0685","","","","","","1.061","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215794","8.0234","0.0001","30.2439","0.0005","15.328","0.0002","90","","90","","90","","3719.48","0.09","110","2","110","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C27 H23 N5 O14 Sm2 -","- C27 H23 N5 O14 Sm2 -","- C108 H92 N20 O56 Sm8 -","4","0.5","","Nandi, Goutam; Thakuria, Ranjit; Titi, Hatem M.; Patra, Ranjan; Goldberg, Israel","Synthesis, structure, topology and magnetic properties of new coordination polymers based on 5(‒Br/‒COOH)-substituted nicotinic acid","CrystEngComm","2014","16","24","5244","","10.1039/c4ce00300d","","","0.71073","MoKα","","0.034","0.0294","","","0.0758","0.0781","","","","","","1","","","","has coordinates,has disorder","180488","2020-10-21","18:00:00",""
"7215795","8.127","0.0016","10.346","0.002","10.659","0.002","62.22","0.03","83.15","0.03","79.28","0.03","778.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H19 Cl N2 O7 -","- C11 H19 Cl N2 O7 -","- C22 H38 Cl2 N4 O14 -","2","1","","Luo, Yang-Hui; Wu, Dong-En; Song, Wen-Tao; Ge, Shu-Wang; Sun, Bai-Wang","Positions of amino groups on ammonium salts tunes the conformations of crown ethers: crystal structures, Hirshfeld surfaces and spectroscopic studies","CrystEngComm","2014","16","24","5319","","10.1039/c4ce00150h","","","0.71073","MoKα","","0.2074","0.1638","","","0.4369","0.4776","","","","","","1.861","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215796","11.802","0.002","15.408","0.003","13.991","0.003","90","","90.28","0.03","90","","2544.2","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H33 B F4.5 N O6 -","- C22 H33 B F4.5 N O6 -","- C88 H132 B4 F18 N4 O24 -","4","1","","Luo, Yang-Hui; Wu, Dong-En; Song, Wen-Tao; Ge, Shu-Wang; Sun, Bai-Wang","Positions of amino groups on ammonium salts tunes the conformations of crown ethers: crystal structures, Hirshfeld surfaces and spectroscopic studies","CrystEngComm","2014","16","24","5319","","10.1039/c4ce00150h","","","0.71073","MoKα","","0.1698","0.0992","","","0.286","0.3369","","","","","","1.053","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215797","12.222","0.002","14.09","0.003","13.8","0.003","90","","98.09","0.03","90","","2352.8","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H30 Cl2 N2 O10 -","- C17 Cl2 N2 O10 -","- C68 Cl8 N8 O40 -","4","1","","Luo, Yang-Hui; Wu, Dong-En; Song, Wen-Tao; Ge, Shu-Wang; Sun, Bai-Wang","Positions of amino groups on ammonium salts tunes the conformations of crown ethers: crystal structures, Hirshfeld surfaces and spectroscopic studies","CrystEngComm","2014","16","24","5319","","10.1039/c4ce00150h","","","0.71073","MoKα","","0.2458","0.2083","","","0.5162","0.5438","","","","","","3.505","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7215798","8.6838","0.0017","14.33","0.003","9.2084","0.0018","90","","103.72","0.03","90","","1113.2","0.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H31 B F2 N O8 -","- C19 H31 B F2 N O8 -","- C38 H62 B2 F4 N2 O16 -","2","1","","Luo, Yang-Hui; Wu, Dong-En; Song, Wen-Tao; Ge, Shu-Wang; Sun, Bai-Wang","Positions of amino groups on ammonium salts tunes the conformations of crown ethers: crystal structures, Hirshfeld surfaces and spectroscopic studies","CrystEngComm","2014","16","24","5319","","10.1039/c4ce00150h","","","0.71073","MoKα","","0.0952","0.0537","","","0.1117","0.1283","","","","","","1.023","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215799","17.415","0.004","8.8817","0.0018","23.87","0.005","90","","97.56","0.03","90","","3660","1.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C H B F N O -","- C1.18033 B0.131148 F0.52459 N0.196721 O0.459016 -","- C72 B8 F32 N12 O28 -","61","15.25","","Luo, Yang-Hui; Wu, Dong-En; Song, Wen-Tao; Ge, Shu-Wang; Sun, Bai-Wang","Positions of amino groups on ammonium salts tunes the conformations of crown ethers: crystal structures, Hirshfeld surfaces and spectroscopic studies","CrystEngComm","2014","16","24","5319","","10.1039/c4ce00150h","","","0.71073","MoKα","","0.5173","0.4559","","","0.7919","0.8207","","","","","","3.32","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215800","8.763","0.0018","14.503","0.003","15.775","0.003","90","","98.41","0.03","90","","1983.3","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H26 B F4 N O5 -","- C16 H26 B F4 N O5 -","- C64 H104 B4 F16 N4 O20 -","4","1","","Luo, Yang-Hui; Wu, Dong-En; Song, Wen-Tao; Ge, Shu-Wang; Sun, Bai-Wang","Positions of amino groups on ammonium salts tunes the conformations of crown ethers: crystal structures, Hirshfeld surfaces and spectroscopic studies","CrystEngComm","2014","16","24","5319","","10.1039/c4ce00150h","","","0.71073","MoKα","","0.1713","0.1006","","","0.2804","0.3355","","","","","","1.08","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215801","15.6904","0.0006","21.8223","0.0008","15.8024","0.0006","90","","113.256","0.001","90","","4971.1","0.3","120","0.2","120.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H63 N3 O13 S2 -","- C50 H61 N3 O13 S2 -","- C200 H244 N12 O52 S8 -","4","1","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Churakov, Andrei V.; Lermontova, Elmira Kh.; Howard, Judith A. K.; Alfimov, Michael V.; Gromov, Sergey P.","Influence of the anion nature on styryl dye crystal packing and feasibility of the direct and back [2 + 2] photocycloaddition reactions without single crystal degradation","CrystEngComm","2014","16","24","5364","","10.1039/c4ce00266k","","","0.71073","MoKα","","0.2219","0.0752","","","0.151","0.1891","","","","","","0.865","","","","has coordinates,has disorder","180489","2020-10-21","18:00:00",""
"7215802","7.3589","0.0003","20.83","0.0009","11.2706","0.0005","90","","91.727","0.003","90","","1726.84","0.13","120","0.2","123.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 B F4 N O2 -","- C17 H20 B F4 N O2 -","- C68 H80 B4 F16 N4 O8 -","4","1","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Churakov, Andrei V.; Lermontova, Elmira Kh.; Howard, Judith A. K.; Alfimov, Michael V.; Gromov, Sergey P.","Influence of the anion nature on styryl dye crystal packing and feasibility of the direct and back [2 + 2] photocycloaddition reactions without single crystal degradation","CrystEngComm","2014","16","24","5364","","10.1039/c4ce00266k","","","0.71073","MoKα","","0.1481","0.079","","","0.1786","0.2012","","","","","","1.043","","","","has coordinates,has disorder","180489","2020-10-21","18:00:00",""
"7215803","7.106","0.002","22.507","0.007","11.576","0.003","90","","90.143","0.008","90","","1851.4","0.9","120","0.2","120.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 F6 N O2 P -","- C17 H20 F6 N O2 P -","- C68 H80 F24 N4 O8 P4 -","4","1","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Churakov, Andrei V.; Lermontova, Elmira Kh.; Howard, Judith A. K.; Alfimov, Michael V.; Gromov, Sergey P.","Influence of the anion nature on styryl dye crystal packing and feasibility of the direct and back [2 + 2] photocycloaddition reactions without single crystal degradation","CrystEngComm","2014","16","24","5364","","10.1039/c4ce00266k","","","0.71073","MoKα","","0.1368","0.0632","","","0.1223","0.1431","","","","","","0.972","","","","has coordinates,has disorder","180489","2020-10-21","18:00:00",""
"7215804","14.2243","0.001","14.419","0.0009","22.4404","0.0015","90","","104.933","0.004","90","","4447.1","0.5","100","0.2","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 N4 O9 -","- C23 H22 N4 O9 -","- C184 H176 N32 O72 -","8","2","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Churakov, Andrei V.; Lermontova, Elmira Kh.; Howard, Judith A. K.; Alfimov, Michael V.; Gromov, Sergey P.","Influence of the anion nature on styryl dye crystal packing and feasibility of the direct and back [2 + 2] photocycloaddition reactions without single crystal degradation","CrystEngComm","2014","16","24","5364","","10.1039/c4ce00266k","","","1.54178","CuKα","","0.111","0.084","","","0.2049","0.2272","","","","","","1.046","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215805","11.737","0.001","26.623","0.002","8.2528","0.0007","90","","109.714","0.003","90","","2427.6","0.3","120","0.2","123.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H25 N4 O9 -","- C26 H25 N4 O9 -","- C104 H100 N16 O36 -","4","1","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Churakov, Andrei V.; Lermontova, Elmira Kh.; Howard, Judith A. K.; Alfimov, Michael V.; Gromov, Sergey P.","Influence of the anion nature on styryl dye crystal packing and feasibility of the direct and back [2 + 2] photocycloaddition reactions without single crystal degradation","CrystEngComm","2014","16","24","5364","","10.1039/c4ce00266k","","","0.71073","MoKα","","0.1808","0.0808","","","0.1869","0.2235","","","","","","0.914","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215806","8.9861","0.0004","9.0343","0.0004","40.1047","0.0017","90","","90","","90","","3255.8","0.2","120","0.2","120.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H40 B N O2 -","- C41 H40 B N O2 -","- C164 H160 B4 N4 O8 -","4","1","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Churakov, Andrei V.; Lermontova, Elmira Kh.; Howard, Judith A. K.; Alfimov, Michael V.; Gromov, Sergey P.","Influence of the anion nature on styryl dye crystal packing and feasibility of the direct and back [2 + 2] photocycloaddition reactions without single crystal degradation","CrystEngComm","2014","16","24","5364","","10.1039/c4ce00266k","","","0.71073","MoKα","","0.1312","0.0732","","","0.113","0.1282","","","","","","0.962","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215807","7.3008","0.0003","20.8807","0.0006","11.3281","0.0004","90","","91.918","0.002","90","","1725.95","0.11","120","0.2","123.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 B F4 N O2 -","- C17 H20 B F4 N O2 -","- C68 H80 B4 F16 N4 O8 -","4","1","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Churakov, Andrei V.; Lermontova, Elmira Kh.; Howard, Judith A. K.; Alfimov, Michael V.; Gromov, Sergey P.","Influence of the anion nature on styryl dye crystal packing and feasibility of the direct and back [2 + 2] photocycloaddition reactions without single crystal degradation","CrystEngComm","2014","16","24","5364","","10.1039/c4ce00266k","","","0.71073","MoKα","","0.0996","0.0572","","","0.1336","0.1478","","","","","","1.045","","","","has coordinates,has disorder","180489","2020-10-21","18:00:00",""
"7215808","7.319","0.002","20.852","0.007","11.302","0.004","90","","91.835","0.005","90","","1724","1","170.2","0.2","170.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 B F4 N O2 -","- C17 H20 B F4 N O2 -","- C68 H80 B4 F16 N4 O8 -","4","1","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Churakov, Andrei V.; Lermontova, Elmira Kh.; Howard, Judith A. K.; Alfimov, Michael V.; Gromov, Sergey P.","Influence of the anion nature on styryl dye crystal packing and feasibility of the direct and back [2 + 2] photocycloaddition reactions without single crystal degradation","CrystEngComm","2014","16","24","5364","","10.1039/c4ce00266k","","","0.71073","MoKα","","0.083","0.0601","","","0.1668","0.1791","","","","","","1.093","","","","has coordinates,has disorder","180489","2020-10-21","18:00:00",""
"7215809","16.3042","0.0011","22.6007","0.0008","17.1913","0.0009","90","","115.29","0.007","90","","5727.6","0.6","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C90 H84 Co2 N30 O42 Si W12 -","- C90 H80 Co2 N30 O42 Si W12 -","- C180 H160 Co4 N60 O84 Si2 W24 -","2","0.5","","Luo, Yu-Hui; Yu, Xiao-Yang; Zhang, Hong","Two unprecedented entangled coordination polymers based on α-{SiW12O40}4−","CrystEngComm","2014","16","29","6664","","10.1039/c4ce00550c","","","0.71073","MoKα","","0.1189","0.0682","","","0.1111","0.1338","","","","","","1.078","","","","has coordinates,has disorder","180489","2020-10-21","18:00:00",""
"7215810","12.6869","0.0007","22.7919","0.0014","28.5112","0.0019","90","","90","","90","","8244.3","0.9","293","2","293","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C54 H54 Cu2 N18 O43 Si W12 -","- C54 H50 Cu2 N18 O43 Si W12 -","- C216 H200 Cu8 N72 O172 Si4 W48 -","4","0.5","","Luo, Yu-Hui; Yu, Xiao-Yang; Zhang, Hong","Two unprecedented entangled coordination polymers based on α-{SiW12O40}4−","CrystEngComm","2014","16","29","6664","","10.1039/c4ce00550c","","","0.71073","MoKα","","0.0978","0.0834","","","0.1566","0.1636","","","","","","1.06","","","","has coordinates,has disorder","180489","2020-10-21","18:00:00",""
"7215811","39.799","0.002","31.5266","0.0009","22.974","0.0011","90","","117.023","0.006","90","","25679","2","100","2","100","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C304 H496 Gd7 N80 Na7 O254 S32 -","- C304 H276 Gd7 N80 Na7 O254 S32 -","- C608 H552 Gd14 N160 Na14 O508 S64 -","2","0.25","","Ling, Irene; Skelton, Brian W.; Sobolev, Alexandre N.; Alias, Yatimah; Raston, Colin L.","Manipulating the conformation and interplay of p-sulfonated calix[4]arenes by lower rim tri-substitution with N′-cyanocarbamimidate groups","CrystEngComm","2014","16","23","5159","","10.1039/c4ce00336e","","","0.71073","MoKα","","0.2253","0.142","","","0.2837","0.3217","","","","","","1.178","","","","has coordinates,has disorder","180489","2020-10-21","18:00:00",""
"7215813","9.1726","0.0005","10.6903","0.0006","10.7126","0.0006","73.15","0.005","80.841","0.005","64.809","0.005","908.96","0.1","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H26 F4 N8 O4 -","- C44 H26 F4 N8 O4 -","- C44 H26 F4 N8 O4 -","1","0.5","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the F4TCNQ dianion","CrystEngComm","2014","","","","","10.1039/c4ce00289j","","","1.54184","CuKα","","0.0457","0.0404","","","0.1051","0.1092","","","","","","1.088","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215814","10.2589","0.0002","12.2242","0.0002","22.2473","0.0005","90","","95.29","0.002","90","","2778.08","0.09","130","2","130","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H24 F4 N8 O4 -","- C32 H24 F4 N8 O4 -","- C128 H96 F16 N32 O16 -","4","0.5","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the F4TCNQ dianion","CrystEngComm","2014","","","","","10.1039/c4ce00289j","","","1.5418","CuKα","","0.0527","0.0457","","","0.1267","0.132","","","","","","1.07","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215815","8.1317","0.0004","9.043","0.0005","15.1631","0.0007","96.3","0.004","98.584","0.004","116.492","0.005","966.98","0.1","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H15 F2 N4 O2 -","- C24 H15 F2 N4 O2 -","- C48 H30 F4 N8 O4 -","2","1","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the F4TCNQ dianion","CrystEngComm","2014","","","","","10.1039/c4ce00289j","","","1.54184","CuKα","","0.036","0.0336","","","0.088","0.0898","","","","","","1.056","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215816","8.0055","0.0005","8.5844","0.0005","15.3367","0.0008","74.027","0.005","88.077","0.005","67.144","0.006","930.52","0.11","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H17 N4 O2 -","- C24 H17 N4 O2 -","- C48 H34 N8 O4 -","2","1","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the F4TCNQ dianion","CrystEngComm","2014","","","","","10.1039/c4ce00289j","","","1.5418","CuKα","","0.0439","0.0372","","","0.0957","0.1007","","","","","","1.042","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215817","8.6578","0.0007","9.6463","0.0006","11.6657","0.0007","109.413","0.006","101.096","0.006","92.685","0.006","895.22","0.11","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H38 F4 N8 -","- C40 H38 F4 N8 -","- C40 H38 F4 N8 -","1","0.5","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the F4TCNQ dianion","CrystEngComm","2014","","","","","10.1039/c4ce00289j","","","1.54184","CuKα","","0.056","0.0473","","","0.1244","0.1334","","","","","","1.029","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215818","12.904","0.001","13.3891","0.0008","19.189","0.0012","76.376","0.005","75.564","0.006","65.911","0.006","2897.3","0.4","240","2","240","2","","","","","","","","5","P -1","-P 1","2","","","","- C30.5 H28 F4 N8 O0.5 -","- C30.5 H28 F4 N8 O0.5 -","- C122 H112 F16 N32 O2 -","4","2","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the F4TCNQ dianion","CrystEngComm","2014","","","","","10.1039/c4ce00289j","","","1.5418","CuKα","","0.1462","0.0657","","","0.1591","0.2157","","","","","","0.91","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215819","11.375","0.0003","7.1927","0.0002","12.4527","0.0003","90","","93.83","0.002","90","","1016.57","0.05","130","2","130","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H14 F4 N6 -","- C24 H14 F4 N6 -","- C48 H28 F8 N12 -","2","0.5","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the F4TCNQ dianion","CrystEngComm","2014","","","","","10.1039/c4ce00289j","","","1.54184","CuKα","","0.0377","0.033","","","0.0882","0.0917","","","","","","1.07","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215820","7.2739","0.0009","8.9106","0.0011","14.8749","0.0018","105.302","0.01","98.243","0.01","102.661","0.01","886.3","0.2","130","2","130.4","0.9","","","","","","","","4","P -1","-P 1","2","","","","- C48 H30 F4 N6 -","- C48 H30 F4 N6 -","- C48 H30 F4 N6 -","1","0.5","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the F4TCNQ dianion","CrystEngComm","2014","","","","","10.1039/c4ce00289j","","","1.5418","CuKα","","0.109","0.0636","","","0.1595","0.211","","","","","","0.971","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215821","13.4546","0.0011","11.4276","0.001","9.1962","0.0009","90","","101.49","0.008","90","","1385.6","0.2","130","0.1","130","0.1","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C32 H32 F4 N8 -","- C32 H32 F4 N8 -","- C64 H64 F8 N16 -","2","0.25","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the F4TCNQ dianion","CrystEngComm","2014","","","","","10.1039/c4ce00289j","","","1.5418","CuKα","","0.0622","0.0523","","","0.1459","0.1557","","","","","","1.073","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215822","8.0153","0.0004","10.5291","0.0007","11.0731","0.0007","73.207","0.005","69.339","0.005","74.309","0.005","822.17","0.09","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C36.5 H22 F4 N8 O4.5 -","- C36.5 H22 F4 N8 O4.5 -","- C36.5 H22 F4 N8 O4.5 -","1","0.5","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the F4TCNQ dianion","CrystEngComm","2014","","","","","10.1039/c4ce00289j","","","1.54184","CuKα","","0.0542","0.0472","","","0.1307","0.1385","","","","","","1.063","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215823","8.2034","0.0005","10.8428","0.001","10.9912","0.001","95.047","0.007","109.56","0.007","108.643","0.007","851.82","0.14","130","2","130","1","","","","","","","","5","P -1","-P 1","2","","","","- C36 H20 F4 N10 O8 -","- C36 H20 F4 N10 O8 -","- C36 H20 F4 N10 O8 -","1","0.5","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the F4TCNQ dianion","CrystEngComm","2014","","","","","10.1039/c4ce00289j","","","1.5418","CuKα","","0.0554","0.0383","","","0.1014","0.1076","","","","","","1.1","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215824","18.3535","0.0005","18.1472","0.0005","7.4618","0.0002","90","","101.507","0.002","90","","2435.31","0.12","130","2","130","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H18 F4 N6 -","- C30 H18 F4 N6 -","- C120 H72 F16 N24 -","4","0.5","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the F4TCNQ dianion","CrystEngComm","2014","","","","","10.1039/c4ce00289j","","","1.5418","CuKα","","0.0372","0.0333","","","0.0903","0.094","","","","","","1.052","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215825","5.0039","0.0003","15.2708","0.0008","16.7605","0.001","90","","95.417","0.006","90","","1275.01","0.13","130.01","0.1","130.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H22 F4 N6 -","- C32 H22 F4 N6 -","- C64 H44 F8 N12 -","2","0.5","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the F4TCNQ dianion","CrystEngComm","2014","","","","","10.1039/c4ce00289j","","","1.5418","CuKα","","0.0977","0.0948","","","0.2791","0.2812","","","","","","1.145","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215826","5.4139","0.0005","10.4083","0.0011","13.9398","0.0017","104.24","0.01","98.724","0.009","104.128","0.009","719.36","0.15","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H22 F4 N6 -","- C38 H22 F4 N6 -","- C38 H22 F4 N6 -","1","0.5","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the F4TCNQ dianion","CrystEngComm","2014","","","","","10.1039/c4ce00289j","","","1.5418","CuKα","","0.0461","0.0401","","","0.1094","0.1156","","","","","","1.063","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215827","6.511","0.0003","16.6335","0.0006","11.4633","0.0004","90","","94.157","0.003","90","","1238.22","0.08","130","2","130","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H20 F4 N6 -","- C32 H20 F4 N6 -","- C64 H40 F8 N12 -","2","0.5","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the F4TCNQ dianion","CrystEngComm","2014","","","","","10.1039/c4ce00289j","","","1.5418","CuKα","","0.0482","0.0436","","","0.1265","0.1304","","","","","","1.073","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215828","3.9459","0.0002","22.7301","0.0008","11.1951","0.0005","90","","107.725","0.004","90","","956.43","0.08","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N2 O -","- C12 H10 N2 O -","- C48 H40 N8 O4 -","4","1","","Näther, Christian; Jess, Inke; Bahrenburg, Julia; Bank, Dennis; Temps, Friedrich","Trimorphism of N-(3-pyridyl)-benzamide","CrystEngComm","2014","16","25","5633","","10.1039/c4ce00495g","","","0.71073","MoKα","","0.0514","0.0419","","","0.1043","0.1101","","","","","","1.048","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215829","4.0274","0.0003","22.705","0.0016","11.2415","0.0006","90","","107.874","0.007","90","","978.33","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N-(3-Pyridyl)-Benzamide","","","- C12 H10 N2 O -","- C12 H10 N2 O -","- C48 H40 N8 O4 -","4","1","","Näther, Christian; Jess, Inke; Bahrenburg, Julia; Bank, Dennis; Temps, Friedrich","Trimorphism of N-(3-pyridyl)-benzamide","CrystEngComm","2014","16","25","5633","","10.1039/c4ce00495g","","","0.71073","MoKα","","0.0666","0.0453","","","0.1059","0.1167","","","","","","1.031","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215830","5.2575","0.0006","22.8695","0.0016","7.9917","0.0009","90","","90.61","0.013","90","","960.84","0.17","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","N-(3-Pyridyl)-Benzamide","","","- C12 H10 N2 O -","- C12 H10 N2 O -","- C48 H40 N8 O4 -","4","2","","Näther, Christian; Jess, Inke; Bahrenburg, Julia; Bank, Dennis; Temps, Friedrich","Trimorphism of N-(3-pyridyl)-benzamide","CrystEngComm","2014","16","25","5633","","10.1039/c4ce00495g","","","0.71073","MoKα","","0.0661","0.0585","","","0.1514","0.1591","","","","","","1.11","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215831","24.078","0.002","5.2381","0.0002","15.9279","0.0013","90","","109.382","0.009","90","","1895","0.3","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","N-(3-Pyridyl)-Benzamide","","","- C12 H10 N2 O -","- C12 H10 N2 O -","- C96 H80 N16 O8 -","8","1","","Näther, Christian; Jess, Inke; Bahrenburg, Julia; Bank, Dennis; Temps, Friedrich","Trimorphism of N-(3-pyridyl)-benzamide","CrystEngComm","2014","16","25","5633","","10.1039/c4ce00495g","","","0.71073","MoKα","","0.0644","0.0465","","","0.1109","0.1214","","","","","","1.03","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215832","24.1282","0.0015","5.2571","0.0002","16.125","0.0011","90","","109.197","0.005","90","","1931.6","0.2","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","N-(3-Pyridyl)-Benzamide","","","- C12 H10 N2 O -","- C12 H10 N2 O -","- C96 H80 N16 O8 -","8","1","","Näther, Christian; Jess, Inke; Bahrenburg, Julia; Bank, Dennis; Temps, Friedrich","Trimorphism of N-(3-pyridyl)-benzamide","CrystEngComm","2014","16","25","5633","","10.1039/c4ce00495g","","","0.71073","MoKα","","0.0738","0.0538","","","0.1043","0.1119","","","","","","1.11","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215833","15.026","0.009","15.473","0.009","15.512","0.009","108.495","0.005","117.49","","96.862","0.006","2879","3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H42 Cl2 Cu3 Eu N4 O22 -","- C48 H42 Cl2 Cu3 Eu N4 O22 -","- C96 H84 Cl4 Cu6 Eu2 N8 O44 -","2","1","","Fang, Wei-Hui; Yang, Guo-Yu","Bilayer architecture based on hexanuclear heterometal cluster units","CrystEngComm","2014","16","29","6790","","10.1039/c4ce00747f","","","0.71073","MoKα","","0.1172","0.0882","","","0.2165","0.2465","","","","","","1.048","","","","has coordinates,has disorder","180489","2020-10-21","18:00:00",""
"7215834","14.0612","0.0002","16.1146","0.0002","15.5087","0.0002","90","","103.837","0.002","90","","3412.15","0.08","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H16 In O8 -","- C28 H16 In O8 -","- C112 H64 In4 O32 -","4","1","","Qian, Jinjie; Jiang, Feilong; Su, Kongzhao; Li, Qipeng; Zhou, Kang; Wu, Mingyan; Yuan, Daqiang; Hong, Maochun","Sorption comparison of two indium‒organic framework isomers with syn‒anti configurations","CrystEngComm","2014","16","32","7434","","10.1039/C4CE00712C","","","1.54184","CuKα","","0.0382","0.036","","","0.1226","0.1251","","","","","","1.014","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215835","10.7454","0.0001","10.7454","0.0001","14.4927","0.0005","90","","90","","90","","1673.38","0.06","173","2","173","2","","","","","","","","4","P -4 2 c","P -4 2c","112","","","","- C7 H4 In0.25 O2 -","- C7 H4 In0.25 O2 -","- C56 H32 In2 O16 -","8","1","","Qian, Jinjie; Jiang, Feilong; Su, Kongzhao; Li, Qipeng; Zhou, Kang; Wu, Mingyan; Yuan, Daqiang; Hong, Maochun","Sorption comparison of two indium‒organic framework isomers with syn‒anti configurations","CrystEngComm","2014","16","32","7434","","10.1039/C4CE00712C","","","1.54184","CuKα","","0.0577","0.0511","","","0.1688","0.1815","","","","","","1.118","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215836","7.958","0.0016","9.157","0.0018","10.069","0.002","76.71","0.03","84.84","0.03","67.98","0.03","662","0.3","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C22 H20 Ag2 F6 N4 O6 S2 -","- C22 H20 Ag2 F6 N4 O6 S2 -","- C22 H20 Ag2 F6 N4 O6 S2 -","1","0.5","","Beeching, Lianna J.; Hawes, Chris S.; Turner, David R.; Batten, Stuart R.","The influence of anion, ligand geometry and stoichiometry on the structure and dimensionality of a series of AgI-bis(cyanobenzyl)piperazine coordination polymers","CrystEngComm","2014","16","28","6459","","10.1039/c4ce00816b","","","0.7108","synchrotron","","0.0211","0.0208","","","0.0494","0.0496","","","","","","1.186","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215837","25.839","0.006","11.48","0.003","24.597","0.008","90","","113.623","0.013","90","","6685","3","123","2","123.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C53 H58 Ag4 F12 N8 O15 S4 -","- C53 H58 Ag4 F12 N8 O15 S4 -","- C212 H232 Ag16 F48 N32 O60 S16 -","4","0.5","","Beeching, Lianna J.; Hawes, Chris S.; Turner, David R.; Batten, Stuart R.","The influence of anion, ligand geometry and stoichiometry on the structure and dimensionality of a series of AgI-bis(cyanobenzyl)piperazine coordination polymers","CrystEngComm","2014","16","28","6459","","10.1039/c4ce00816b","","","0.71073","MoKα","","0.1189","0.0589","","","0.1224","0.1506","","","","","","0.984","","","","has coordinates,has disorder","180489","2020-10-21","18:00:00",""
"7215838","8.2084","0.0004","10.3939","0.0004","12.6354","0.0006","71.597","0.002","77.611","0.003","86.597","0.002","999.03","0.08","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H22 Ag F6 N2 O2 P -","- C16 H22 Ag F6 N2 O2 P -","- C32 H44 Ag2 F12 N4 O4 P2 -","2","1","","Beeching, Lianna J.; Hawes, Chris S.; Turner, David R.; Batten, Stuart R.","The influence of anion, ligand geometry and stoichiometry on the structure and dimensionality of a series of AgI-bis(cyanobenzyl)piperazine coordination polymers","CrystEngComm","2014","16","28","6459","","10.1039/c4ce00816b","","","0.71073","MoKα","","0.0604","0.0397","","","0.0679","0.0755","","","","","","1.034","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215839","8.289","0.0017","9.838","0.002","11.203","0.002","102.51","0.03","102.92","0.03","93.06","0.03","864.3","0.3","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C28 H32 Ag2 F6 N4 O8 S2 -","- C28 H32 Ag2 F6 N4 O8 S2 -","- C28 H32 Ag2 F6 N4 O8 S2 -","1","0.5","","Beeching, Lianna J.; Hawes, Chris S.; Turner, David R.; Batten, Stuart R.","The influence of anion, ligand geometry and stoichiometry on the structure and dimensionality of a series of AgI-bis(cyanobenzyl)piperazine coordination polymers","CrystEngComm","2014","16","28","6459","","10.1039/c4ce00816b","","","0.7108","Synchrotron","","0.0385","0.0352","","","0.0895","0.0916","","","","","","1.051","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215840","13.631","0.0008","16.7804","0.0008","10.9261","0.0006","90","","115.623","0.002","90","","2253.4","0.2","123","2","123","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C21 H20 Ag F3 N4 O3 S -","- C21 H20 Ag F3 N4 O3 S -","- C84 H80 Ag4 F12 N16 O12 S4 -","4","1","","Beeching, Lianna J.; Hawes, Chris S.; Turner, David R.; Batten, Stuart R.","The influence of anion, ligand geometry and stoichiometry on the structure and dimensionality of a series of AgI-bis(cyanobenzyl)piperazine coordination polymers","CrystEngComm","2014","16","28","6459","","10.1039/c4ce00816b","","","0.71073","MoKα","","0.0468","0.0396","","","0.0833","0.0875","","","","","","1.023","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215841","6.5627","0.0005","8.2007","0.0007","8.5966","0.0007","83.164","0.004","71.318","0.003","71.589","0.003","415.77","0.06","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H20 N4 -","- C20 H20 N4 -","- C20 H20 N4 -","1","0.5","","Beeching, Lianna J.; Hawes, Chris S.; Turner, David R.; Batten, Stuart R.","The influence of anion, ligand geometry and stoichiometry on the structure and dimensionality of a series of AgI-bis(cyanobenzyl)piperazine coordination polymers","CrystEngComm","2014","16","28","6459","","10.1039/c4ce00816b","","","0.71073","MoKα","","0.0704","0.0517","","","0.1247","0.1372","","","","","","1.109","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215842","6.1328","0.0005","7.1872","0.0006","10.0545","0.0009","78.816","0.005","74.898","0.005","79.084","0.006","415.21","0.06","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H20 N4 -","- C20 H20 N4 -","- C20 H20 N4 -","1","0.5","","Beeching, Lianna J.; Hawes, Chris S.; Turner, David R.; Batten, Stuart R.","The influence of anion, ligand geometry and stoichiometry on the structure and dimensionality of a series of AgI-bis(cyanobenzyl)piperazine coordination polymers","CrystEngComm","2014","16","28","6459","","10.1039/c4ce00816b","","","0.71073","MoKα","","0.0741","0.05","","","0.1049","0.1158","","","","","","1.07","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215843","38.973","0.008","11.992","0.002","17.704","0.004","90","","105.94","0.03","90","","7956","3","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H32 Cu2 I2 N2 P2 -","- C42 H32 Cu2 I2 N2 P2 -","- C336 H256 Cu16 I16 N16 P16 -","8","1","","Wei, Feng; Liu, Xiaochen; Liu, Zhiwei; Bian, Zuqiang; Zhao, Yongliang; Huang, Chunhui","Structural and photophysical study of copper iodide complex with P^N or P^N^P ligand","CrystEngComm","2014","16","24","5338","","10.1039/c4ce00315b","","","0.71073","MoKα","","0.0382","0.0336","","","0.0743","0.0761","","","","","","1.358","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215844","10.1854","0.0012","13.224","0.003","28.904","0.006","90","","90","","90","","3893.1","1.3","148","2","148","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H36 Cu3 I3 N2 P2 -","- C38 H36 Cu3 I3 N2 P2 -","- C152 H144 Cu12 I12 N8 P8 -","4","1","","Wei, Feng; Liu, Xiaochen; Liu, Zhiwei; Bian, Zuqiang; Zhao, Yongliang; Huang, Chunhui","Structural and photophysical study of copper iodide complex with P^N or P^N^P ligand","CrystEngComm","2014","16","24","5338","","10.1039/c4ce00315b","","","0.71073","MoKα","","0.0431","0.0356","","","0.0632","0.0656","","","","","","1.238","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215845","15.983","0.003","11.391","0.002","16.357","0.003","90","","108.82","0.03","90","","2818.8","1","183","2","183","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H27 Cu I N P2 -","- C31 H27 Cu I N P2 -","- C124 H108 Cu4 I4 N4 P8 -","4","1","","Wei, Feng; Liu, Xiaochen; Liu, Zhiwei; Bian, Zuqiang; Zhao, Yongliang; Huang, Chunhui","Structural and photophysical study of copper iodide complex with P^N or P^N^P ligand","CrystEngComm","2014","16","24","5338","","10.1039/c4ce00315b","","","0.71073","MoKα","","0.0543","0.0357","","","0.045","0.0475","","","","","","1.377","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215846","23.986","0.005","13.948","0.003","21.765","0.004","90","","109.18","0.03","90","","6877","3","133","2","133","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H43 Cu2 I2 N P2 -","- C23 H43 Cu2 I2 N P2 -","- C184 H344 Cu16 I16 N8 P16 -","8","1","","Wei, Feng; Liu, Xiaochen; Liu, Zhiwei; Bian, Zuqiang; Zhao, Yongliang; Huang, Chunhui","Structural and photophysical study of copper iodide complex with P^N or P^N^P ligand","CrystEngComm","2014","16","24","5338","","10.1039/c4ce00315b","","","0.71073","MoKα","","0.0501","0.0377","","","0.0605","0.0618","","","","","","1.692","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215847","15.3727","0.0011","16.4442","0.0012","14.2397","0.0011","90","","122.25","0.001","90","","3044.3","0.4","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H43 Cu3 I3 N P2 -","- C23 H43 Cu3 I3 N P2 -","- C92 H172 Cu12 I12 N4 P8 -","4","0.5","","Wei, Feng; Liu, Xiaochen; Liu, Zhiwei; Bian, Zuqiang; Zhao, Yongliang; Huang, Chunhui","Structural and photophysical study of copper iodide complex with P^N or P^N^P ligand","CrystEngComm","2014","16","24","5338","","10.1039/c4ce00315b","","","0.71073","MoKα","","0.0339","0.0295","","","0.0641","0.0664","","","","","","1.248","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215848","9.1258","0.0003","11.138","0.0004","11.3262","0.0004","77.317","0.003","68.681","0.004","79.25","0.003","1039.05","0.07","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H23 La N O9 S3 -","- C12 H19 La N O9 S3 -","- C24 H38 La2 N2 O18 S6 -","2","1","","Zhuang, Gui-lin; Tan, Li; Chen, Wu-lin; Bai, Jia-qi; Zhong, Xing; Wang, Jian-guo","Synthesis, properties, and magnetism‒structure relationship of lanthanide-based metal‒organic frameworks with (ethylenedithio)acetic acid","CrystEngComm","2014","16","30","6963","","10.1039/C4CE00573B","","","0.71073","MoKα","","0.0279","0.0262","","","0.0721","0.0738","","","","","","1.015","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215849","9.14","0.0005","11.1538","0.0003","11.2716","0.0006","77.261","0.003","68.453","0.005","78.843","0.003","1034.43","0.09","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H23 N Nd O9 S3 -","- C12 H19 N Nd O9 S3 -","- C24 H38 N2 Nd2 O18 S6 -","2","1","","Zhuang, Gui-lin; Tan, Li; Chen, Wu-lin; Bai, Jia-qi; Zhong, Xing; Wang, Jian-guo","Synthesis, properties, and magnetism‒structure relationship of lanthanide-based metal‒organic frameworks with (ethylenedithio)acetic acid","CrystEngComm","2014","16","30","6963","","10.1039/C4CE00573B","","","0.71073","MoKα","","0.0307","0.0269","","","0.0706","0.0728","","","","","","1.108","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215850","9.1686","0.0005","11.1145","0.0007","11.1899","0.0008","77.156","0.006","68.195","0.006","78.35","0.005","1023.21","0.12","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H23 Eu N O9 S3 -","- C12 H19 Eu N O9 S3 -","- C24 H38 Eu2 N2 O18 S6 -","2","1","","Zhuang, Gui-lin; Tan, Li; Chen, Wu-lin; Bai, Jia-qi; Zhong, Xing; Wang, Jian-guo","Synthesis, properties, and magnetism‒structure relationship of lanthanide-based metal‒organic frameworks with (ethylenedithio)acetic acid","CrystEngComm","2014","16","30","6963","","10.1039/C4CE00573B","","","0.71073","MoKα","","0.056","0.041","","","0.0825","0.0884","","","","","","1.054","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215851","9.1742","0.0005","11.1153","0.0005","11.1714","0.0005","77.009","0.004","68.082","0.005","78.222","0.004","1020.66","0.09","288","2","288","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H23 Gd N O9 S3 -","- C12 H23 Gd N O9 S3 -","- C24 H46 Gd2 N2 O18 S6 -","2","1","","Zhuang, Gui-lin; Tan, Li; Chen, Wu-lin; Bai, Jia-qi; Zhong, Xing; Wang, Jian-guo","Synthesis, properties, and magnetism‒structure relationship of lanthanide-based metal‒organic frameworks with (ethylenedithio)acetic acid","CrystEngComm","2014","16","30","6963","","10.1039/C4CE00573B","","","0.71073","MoKα","","0.0319","0.0288","","","0.0767","0.0793","","","","","","1.03","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215852","8.2735","0.0004","8.6746","0.0005","13.565","0.0007","103.465","0.005","95.601","0.004","117.312","0.005","817.36","0.09","301","2","301","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H18 La O9 S3 -","- C9 H18 La O9 S3 -","- C18 H36 La2 O18 S6 -","2","1","","Zhuang, Gui-lin; Tan, Li; Chen, Wu-lin; Bai, Jia-qi; Zhong, Xing; Wang, Jian-guo","Synthesis, properties, and magnetism‒structure relationship of lanthanide-based metal‒organic frameworks with (ethylenedithio)acetic acid","CrystEngComm","2014","16","30","6963","","10.1039/C4CE00573B","","","0.71073","MoKα","","0.0342","0.0309","","","0.0676","0.0706","","","","","","0.972","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215853","5.496","0.0009","12.831","0.002","17.881","0.003","90","","93.872","0.003","90","","1258.1","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 N O4 -","- C12 H18 N O4 -","- C48 H72 N4 O16 -","4","1","","Wang, Lei; Xue, Ruiyu; Li, Yuanxin; Zhao, Yiran; Liu, Faqian; Huang, Keke","Hydrogen-bonding patterns in a series of multi-component molecular solids formed by 2,3,5,6-tetramethylpyrazine with selected carboxylic acids","CrystEngComm","2014","16","30","7074","","10.1039/C4CE00749B","","","0.71073","MoKα","","0.0991","0.0791","","","0.223","0.2435","","","","","","1.083","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215854","9.6944","0.0004","17.9372","0.0007","18.6161","0.0006","90","","91.427","0.003","90","","3236.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 N2 O8 -","- C22 H24 N2 O8 -","- C132 H144 N12 O48 -","6","1.5","","Wang, Lei; Xue, Ruiyu; Li, Yuanxin; Zhao, Yiran; Liu, Faqian; Huang, Keke","Hydrogen-bonding patterns in a series of multi-component molecular solids formed by 2,3,5,6-tetramethylpyrazine with selected carboxylic acids","CrystEngComm","2014","16","30","7074","","10.1039/C4CE00749B","","","0.71073","MoKα","","0.1007","0.0781","","","0.225","0.254","","","","","","1.069","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215855","7.3345","0.0007","10.9381","0.0011","15.0352","0.0015","90","","92.804","0.002","90","","1204.8","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H13 N2 O5 -","- C11 H13 N2 O5 -","- C44 H52 N8 O20 -","4","1","","Wang, Lei; Xue, Ruiyu; Li, Yuanxin; Zhao, Yiran; Liu, Faqian; Huang, Keke","Hydrogen-bonding patterns in a series of multi-component molecular solids formed by 2,3,5,6-tetramethylpyrazine with selected carboxylic acids","CrystEngComm","2014","16","30","7074","","10.1039/C4CE00749B","","","0.71073","MoKα","","0.0712","0.0597","","","0.1634","0.1768","","","","","","1.042","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215856","14.65","0.007","12.512","0.006","14.649","0.007","90","","93.13","","90","","2681","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 N2 O6 -","- C30 H28 N2 O6 -","- C120 H112 N8 O24 -","4","1","","Wang, Lei; Xue, Ruiyu; Li, Yuanxin; Zhao, Yiran; Liu, Faqian; Huang, Keke","Hydrogen-bonding patterns in a series of multi-component molecular solids formed by 2,3,5,6-tetramethylpyrazine with selected carboxylic acids","CrystEngComm","2014","16","30","7074","","10.1039/C4CE00749B","","","0.71073","MoKα","","0.0929","0.0573","","","0.1806","0.2065","","","","","","1.091","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215857","7.8574","0.0013","8.3711","0.0011","11.1437","0.0013","88.282","0.002","72.163","0.001","84.647","0.002","694.7","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H13 N2 O7 -","- C12 H13 N2 O7 -","- C24 H26 N4 O14 -","2","1","","Wang, Lei; Xue, Ruiyu; Li, Yuanxin; Zhao, Yiran; Liu, Faqian; Huang, Keke","Hydrogen-bonding patterns in a series of multi-component molecular solids formed by 2,3,5,6-tetramethylpyrazine with selected carboxylic acids","CrystEngComm","2014","16","30","7074","","10.1039/C4CE00749B","","","0.71073","MoKα","","0.0692","0.0612","","","0.1773","0.1872","","","","","","1.071","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215858","7.5343","0.0014","8.9454","0.0017","12.885","0.003","99.769","0.004","103.689","0.004","108.465","0.003","771.6","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C32 H36 N4 O8 -","2","1","","Wang, Lei; Xue, Ruiyu; Li, Yuanxin; Zhao, Yiran; Liu, Faqian; Huang, Keke","Hydrogen-bonding patterns in a series of multi-component molecular solids formed by 2,3,5,6-tetramethylpyrazine with selected carboxylic acids","CrystEngComm","2014","16","30","7074","","10.1039/C4CE00749B","","","0.71073","MoKα","","0.0967","0.0873","","","0.2292","0.2474","","","","","","1.053","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215859","7.4101","0.0006","10.2133","0.0009","15.0232","0.0016","90","","95.937","0.009","90","","1130.88","0.18","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 N O4 -","- C12 H12 N O4 -","- C48 H48 N4 O16 -","4","1","","Wang, Lei; Xue, Ruiyu; Li, Yuanxin; Zhao, Yiran; Liu, Faqian; Huang, Keke","Hydrogen-bonding patterns in a series of multi-component molecular solids formed by 2,3,5,6-tetramethylpyrazine with selected carboxylic acids","CrystEngComm","2014","16","30","7074","","10.1039/C4CE00749B","","","0.71073","MoKα","","0.0641","0.0527","","","0.1532","0.1611","","","","","","1.047","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215860","9.3995","0.0012","17.904","0.002","11.3775","0.0013","90","","93.243","0.002","90","","1911.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 N3 O3 -","- C19 H24 N3 O3 -","- C76 H96 N12 O12 -","4","1","","Wang, Lei; Xue, Ruiyu; Li, Yuanxin; Zhao, Yiran; Liu, Faqian; Huang, Keke","Hydrogen-bonding patterns in a series of multi-component molecular solids formed by 2,3,5,6-tetramethylpyrazine with selected carboxylic acids","CrystEngComm","2014","16","30","7074","","10.1039/C4CE00749B","","","0.71073","MoKα","","0.1075","0.0712","","","0.1963","0.2241","","","","","","0.996","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215861","8.4229","0.0005","11.1372","0.0006","17.7581","0.0011","79.11","0.003","79.382","0.004","84.189","0.003","1604.02","0.16","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C65.4 H56.8 Cl4 N12 O3 Zn2 -","- C65.4 H53.6 Cl4 N12 O3 Zn2 -","- C65.4 H53.6 Cl4 N12 O3 Zn2 -","1","0.5","","Bray, David J.; Clegg, Jack. K.; Jolliffe, Katrina A.; Lindoy, Leonard F.","Cobalt(ii), iron(ii), zinc(ii) and palladium(ii) complexes of di-topic 4′-{4-[bis(2-pyridyl)aminomethyl]phenyl}-2,2′:6′,2′′-terpyridine. Synthetic and X-ray structural studies","CrystEngComm","2014","16","28","6476","","10.1039/c4ce00414k","","","0.71073","MoKα","","0.1128","0.0583","","","0.1542","0.1841","","","","","","1.02","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7215862","8.265","0.001","11.174","0.001","16.397","0.002","91.485","0.005","91.295","0.005","94.105","0.005","1509.5","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C32.25 H25.5 Cl2.5 Co N6 O0.5 -","- C32.25 H24.5 Cl2.5 Co N6 O0.5 -","- C64.5 H49 Cl5 Co2 N12 O -","2","1","","Bray, David J.; Clegg, Jack. K.; Jolliffe, Katrina A.; Lindoy, Leonard F.","Cobalt(ii), iron(ii), zinc(ii) and palladium(ii) complexes of di-topic 4′-{4-[bis(2-pyridyl)aminomethyl]phenyl}-2,2′:6′,2′′-terpyridine. Synthetic and X-ray structural studies","CrystEngComm","2014","16","28","6476","","10.1039/c4ce00414k","","","0.71073","MoKα","","0.0565","0.0377","","","0.0949","0.1063","","","","","","1.055","","","","has coordinates,has disorder","192777","2020-10-21","18:00:00",""
"7215863","13.7825","0.0009","14.8655","0.001","18.2258","0.0011","70.21","0.002","79.959","0.003","64.388","0.003","3166.7","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H30 N6 O4 Zn -","- C36 H30 N6 O4 Zn -","- C144 H120 N24 O16 Zn4 -","4","2","","Bray, David J.; Clegg, Jack. K.; Jolliffe, Katrina A.; Lindoy, Leonard F.","Cobalt(ii), iron(ii), zinc(ii) and palladium(ii) complexes of di-topic 4′-{4-[bis(2-pyridyl)aminomethyl]phenyl}-2,2′:6′,2′′-terpyridine. Synthetic and X-ray structural studies","CrystEngComm","2014","16","28","6476","","10.1039/c4ce00414k","","","0.71073","MoKα","","0.0725","0.0437","","","0.1052","0.1179","","","","","","1.03","","","","has coordinates","192777","2020-10-21","18:00:00",""
"7215864","13.964","0.002","14.768","0.002","31.254","0.004","90","","102.32","0.009","90","","6296.8","1.5","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C64 H53 F12 Fe N12 O2.5 P2 -","- C64 H48 F12 Fe N12 O2.5 P2 -","- C256 H192 F48 Fe4 N48 O10 P8 -","4","1","","Bray, David J.; Clegg, Jack. K.; Jolliffe, Katrina A.; Lindoy, Leonard F.","Cobalt(ii), iron(ii), zinc(ii) and palladium(ii) complexes of di-topic 4′-{4-[bis(2-pyridyl)aminomethyl]phenyl}-2,2′:6′,2′′-terpyridine. Synthetic and X-ray structural studies","CrystEngComm","2014","16","28","6476","","10.1039/c4ce00414k","","","0.71073","MoKα","","0.1074","0.0571","","","0.1345","0.1599","","","","","","1.035","","","","has coordinates,has disorder","192777","2020-10-21","18:00:00",""
"7215865","9.1075","0.001","33.618","0.004","11.0207","0.0012","90","","107.945","0.002","90","","3210.1","0.6","150","2","150","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C65.5 H57 Cl2.5 F3 Fe N12 O12.5 P0.5 -","- C65.5 H55 Cl2.5 F3 Fe N12 O12.5 P0.5 -","- C131 H110 Cl5 F6 Fe2 N24 O25 P -","2","1","","Bray, David J.; Clegg, Jack. K.; Jolliffe, Katrina A.; Lindoy, Leonard F.","Cobalt(ii), iron(ii), zinc(ii) and palladium(ii) complexes of di-topic 4′-{4-[bis(2-pyridyl)aminomethyl]phenyl}-2,2′:6′,2′′-terpyridine. Synthetic and X-ray structural studies","CrystEngComm","2014","16","28","6476","","10.1039/c4ce00414k","","","0.71073","MoKα","","0.1352","0.0823","","","0.2049","0.2357","","","","","","1.004","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7215866","12.4067","0.0009","12.7587","0.001","12.7752","0.001","119.538","0.001","118.76","0.0009","90.313","0.001","1462.2","0.2","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C52 H52 Cd F12 N20 O4 P2 -","- C52 H52 Cd F12 N20 O4 P2 -","- C52 H52 Cd F12 N20 O4 P2 -","1","1","","Khanna, Shruti; Verma, Sandeep","Crystal engineering with a purine rare tautomer: structures and luminescence properties","CrystEngComm","2014","16","29","6680","","10.1039/c4ce00611a","","","0.71073","MoKα","","0.0833","0.0604","","","0.1291","0.1893","","","","","","1.166","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215867","10.1946","0.0014","11.962","0.0017","12.8764","0.0018","91.286","0.002","90.548","0.002","109.725","0.003","1477.5","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C13.5 H16 Cd0.25 N5.5 O3.5 -","- C13.5 H16 Cd0.25 N5.5 O3.5 -","- C54 H64 Cd N22 O14 -","4","2","","Khanna, Shruti; Verma, Sandeep","Crystal engineering with a purine rare tautomer: structures and luminescence properties","CrystEngComm","2014","16","29","6680","","10.1039/c4ce00611a","","","0.71073","MoKα","","0.072","0.0484","","","0.1039","0.1652","","","","","","1.107","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215868","10.1883","0.0006","10.9694","0.0007","15.1248","0.0009","70.455","0.001","75.248","0.001","89.571","0.001","1534.82","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H13 Cd0.5 Cl1.5 N5 O2.5 -","- C13 H13 Cd0.5 Cl1.5 N5 O2.5 -","- C52 H52 Cd2 Cl6 N20 O10 -","4","2","","Khanna, Shruti; Verma, Sandeep","Crystal engineering with a purine rare tautomer: structures and luminescence properties","CrystEngComm","2014","16","29","6680","","10.1039/c4ce00611a","","","0.71073","MoKα","","0.0675","0.057","","","0.1575","0.1727","","","","","","1.058","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215869","9.8188","0.0012","11.2793","0.0013","16.186","0.002","109.391","0.003","92.323","0.002","97.053","0.002","1671.8","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H38 Cd N10 O8 -","- C31 H38 Cd N10 O8 -","- C62 H76 Cd2 N20 O16 -","2","1","","Khanna, Shruti; Verma, Sandeep","Crystal engineering with a purine rare tautomer: structures and luminescence properties","CrystEngComm","2014","16","29","6680","","10.1039/c4ce00611a","","","0.71073","MoKα","","0.0478","0.0394","","","0.096","0.1288","","","","","","1.188","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215870","11.7717","0.0003","18.0229","0.0004","13.5418","0.0005","90","","105.695","0.003","90","","2765.91","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 Cd N4 S4 -","- C28 H26 Cd N4 S4 -","- C112 H104 Cd4 N16 S16 -","4","1","","Kumar, Vinod; Singh, Vikram; Gupta, Ajit N.; Manar, Krishna K.; Drew, Michael. G. B.; Singh, Nanhai","Influence of ligand environments on the structures and luminescence properties of homoleptic cadmium(ii) pyridyl functionalized dithiocarbamates","CrystEngComm","2014","16","29","6765","","10.1039/c4ce00510d","","","0.71073","MoKα","","0.0743","0.0454","","","0.0949","0.105","","","","","","1.026","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215871","11.41","0.003","18.178","0.003","13.445","0.002","90","","106.57","0.02","90","","2672.8","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 Cd N6 S4 -","- C26 H24 Cd N6 S4 -","- C104 H96 Cd4 N24 S16 -","4","1","","Kumar, Vinod; Singh, Vikram; Gupta, Ajit N.; Manar, Krishna K.; Drew, Michael. G. B.; Singh, Nanhai","Influence of ligand environments on the structures and luminescence properties of homoleptic cadmium(ii) pyridyl functionalized dithiocarbamates","CrystEngComm","2014","16","29","6765","","10.1039/c4ce00510d","","","0.71073","MoKα","","0.0647","0.0404","","","0.0779","0.0859","","","","","","1.017","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215872","10.565","0.0005","9.85","0.0005","25.1585","0.0018","90","","90","","90","","2618.1","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H22 Cd N4 O2 S4 -","- C24 H22 Cd N4 O2 S4 -","- C96 H88 Cd4 N16 O8 S16 -","4","0.5","","Kumar, Vinod; Singh, Vikram; Gupta, Ajit N.; Manar, Krishna K.; Drew, Michael. G. B.; Singh, Nanhai","Influence of ligand environments on the structures and luminescence properties of homoleptic cadmium(ii) pyridyl functionalized dithiocarbamates","CrystEngComm","2014","16","29","6765","","10.1039/c4ce00510d","","","0.71073","MoKα","","0.0632","0.041","","","0.0817","0.0899","","","","","","1.077","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215873","11.4651","0.0009","12.8858","0.001","18.191","0.0011","90","","90","","90","","2687.5","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H22 Cd N4 S6 -","- C24 H22 Cd N4 S6 -","- C96 H88 Cd4 N16 S24 -","4","0.5","","Kumar, Vinod; Singh, Vikram; Gupta, Ajit N.; Manar, Krishna K.; Drew, Michael. G. B.; Singh, Nanhai","Influence of ligand environments on the structures and luminescence properties of homoleptic cadmium(ii) pyridyl functionalized dithiocarbamates","CrystEngComm","2014","16","29","6765","","10.1039/c4ce00510d","","","0.71073","MoKα","","0.0448","0.0346","","","0.0823","0.0868","","","","","","1.097","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215874","12.3203","0.0018","12.758","0.002","13.4692","0.0019","109.13","0.016","96.998","0.012","107.782","0.015","1845.8","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H70 Cd2 N14 O2 S8 -","- C70 H70 Cd2 N14 O2 S8 -","- C70 H70 Cd2 N14 O2 S8 -","1","0.5","","Kumar, Vinod; Singh, Vikram; Gupta, Ajit N.; Manar, Krishna K.; Drew, Michael. G. B.; Singh, Nanhai","Influence of ligand environments on the structures and luminescence properties of homoleptic cadmium(ii) pyridyl functionalized dithiocarbamates","CrystEngComm","2014","16","29","6765","","10.1039/c4ce00510d","","","0.71073","MoKα","","0.1033","0.0576","","","0.1452","0.1672","","","","","","0.998","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215875","12.2619","0.001","14.0531","0.0016","14.1351","0.0012","111.871","0.009","101.167","0.007","97.391","0.008","2163","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H84 Cd3 N6 O6 S12 -","- C84 H84 Cd3 N6 O6 S12 -","- C84 H84 Cd3 N6 O6 S12 -","1","0.5","","Kumar, Vinod; Singh, Vikram; Gupta, Ajit N.; Manar, Krishna K.; Drew, Michael. G. B.; Singh, Nanhai","Influence of ligand environments on the structures and luminescence properties of homoleptic cadmium(ii) pyridyl functionalized dithiocarbamates","CrystEngComm","2014","16","29","6765","","10.1039/c4ce00510d","","","0.71073","MoKα","","0.1264","0.0621","","","0.1534","0.1869","","","","","","0.954","","","","has coordinates,has disorder","180489","2020-10-21","18:00:00",""
"7215876","6.4939","0.0017","7.0655","0.0011","7.978","0.002","91.64","0.016","101.564","0.009","110.577","0.014","333.78","0.14","120","2","120","2","","","","","","","","4","P -1","-P 1","2","sodium hydrogen D,L-tartrate monohydrate","","","- C4 H7 Na O7 -","- C4 H7 Na O7 -","- C8 H14 Na2 O14 -","2","1","","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, M.","Interplay between hydrogen bonding and metal coordination in alkali metal tartrates and hydrogen tartrates","CrystEngComm","2014","","","","","10.1039/c4ce00291a","","","0.71073","MoKα","","0.0751","0.0477","","","0.0999","0.1124","","","","","","1.09","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215877","5.0645","0.0003","7.2545","0.0005","9.957","0.0006","72.369","0.004","85.46","0.004","85.837","0.003","347.09","0.04","120","2","120","2","","","","","","","","4","P -1","-P 1","2","caesium D,L-hydrogen tartrate","","","- C4 H5 Cs O6 -","- C4 H5 Cs O6 -","- C8 H10 Cs2 O12 -","2","1","","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, M.","Interplay between hydrogen bonding and metal coordination in alkali metal tartrates and hydrogen tartrates","CrystEngComm","2014","","","","","10.1039/c4ce00291a","","","0.71073","MoKα","","0.0302","0.0288","","","0.0696","0.0707","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215878","5.0731","0.0003","16.9391","0.0012","10.5094","0.0009","90","","98.777","0.002","90","","892.54","0.11","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","caesium lithium D,L-tartrate dihydrate","","","- C4 H8 Cs Li O8 -","- C4 H8 Cs Li O8 -","- C16 H32 Cs4 Li4 O32 -","4","1","","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, M.","Interplay between hydrogen bonding and metal coordination in alkali metal tartrates and hydrogen tartrates","CrystEngComm","2014","","","","","10.1039/c4ce00291a","","","0.71073","MoKα","","0.0553","0.0394","","","0.0737","0.0782","","","","","","1.025","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215879","7.2835","0.0005","7.2835","0.0005","13.2453","0.0007","90","","90","","120","","608.52","0.07","120","2","120","2","","","","","","","","5","P 31 2 1","P 31 2""","152","caesium rubidium D,L-tartrate","","","- C4 H4 Cs O6 Rb -","- C4 H4 Cs O6 Rb -","- C12 H12 Cs3 O18 Rb3 -","3","0.5","","Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, M.","Interplay between hydrogen bonding and metal coordination in alkali metal tartrates and hydrogen tartrates","CrystEngComm","2014","","","","","10.1039/c4ce00291a","","","0.71073","MoKα","","0.0276","0.0259","","","0.0621","0.0627","","","","","","1.072","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7215880","5.5482","0.0002","12.026","0.0005","8.5725","0.0003","90","","104.639","0.0024","90","","553.41","0.04","298","2","298","2","","","","","","","Polymorph Screening","5","P 1 21 1","P 2yb","4","zalcitabine hydrochloride","2',3'-dideoxycytidine hydrochloride","","- C9 H14 Cl N3 O3 -","- C9 H14 Cl N3 O3 -","- C18 H28 Cl2 N6 O6 -","2","1","","Martins, Felipe Terra; Corrêa, Rodrigo S.; Batista, Alzir Azevedo; Ellena, Javier","Quasi-enantiomeric single-nucleoside and quasi-racemic two-nucleoside hydrochloride salts and ruthenium complexes of cytidine and 2′,3′-dideoxycytidine analogs unveiling the negligible structure-driving role of the 2′,3′-moieties","CrystEngComm","2014","16","30","7013","","10.1039/C4CE00678J","","x-ray","0.71073","MoKα","","0.044","0.0407","","","0.1048","0.1083","","","","","","1.074","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215881","5.4672","0.002","11.978","0.0029","8.5397","0.002","90","","105.327","0.0018","90","","539.3","0.3","100","2","100","2","","","","","","","Polymorph Screening","5","P 1 21 1","P 2yb","4","zalcitabine hydrochloride","2',3'-dideoxycytidine hydrochloride","","- C9 H14 Cl N3 O3 -","- C9 H14 Cl N3 O3 -","- C18 H28 Cl2 N6 O6 -","2","1","","Martins, Felipe Terra; Corrêa, Rodrigo S.; Batista, Alzir Azevedo; Ellena, Javier","Quasi-enantiomeric single-nucleoside and quasi-racemic two-nucleoside hydrochloride salts and ruthenium complexes of cytidine and 2′,3′-dideoxycytidine analogs unveiling the negligible structure-driving role of the 2′,3′-moieties","CrystEngComm","2014","16","30","7013","","10.1039/C4CE00678J","","x-ray","0.71073","MoKα","","0.0413","0.0403","","","0.1035","0.1053","","","","","","1.068","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215882","6.692","0.001","8.886","0.001","10.412","0.001","105.22","0.01","99.04","0.01","107.5","0.01","550.72","0.13","100","2","100","2","","","","","","","Polymorph Screening","6","P 1","P 1","1","lamivudine zalcitabine hydrochloride","4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-(1H)-pyrimidin-2-one hydrochloride 2',3'-dideoxycytidine hydrochloride co-crystal","","- C17 H26 Cl2 N6 O6 S -","- C17 H26 Cl2 N6 O6 S -","- C17 H26 Cl2 N6 O6 S -","1","1","","Martins, Felipe Terra; Corrêa, Rodrigo S.; Batista, Alzir Azevedo; Ellena, Javier","Quasi-enantiomeric single-nucleoside and quasi-racemic two-nucleoside hydrochloride salts and ruthenium complexes of cytidine and 2′,3′-dideoxycytidine analogs unveiling the negligible structure-driving role of the 2′,3′-moieties","CrystEngComm","2014","16","30","7013","","10.1039/C4CE00678J","","x-ray","0.71073","MoKα","","0.0792","0.0656","","","0.1453","0.1558","","","","","","1.099","","","","has coordinates,has disorder","180489","2020-10-21","18:00:00",""
"7215883","9.8","0.005","16.008","0.005","34.268","0.005","90","","90","","90","","5376","3","293","2","293","2","","","","","","","synthesis as described","8","P 21 21 21","P 2ac 2ab","19","Compound X","","","- C57 H56 Cl N5 O9 P2 Ru S -","- C57 H56 Cl N5 O9 P2 Ru S -","- C228 H224 Cl4 N20 O36 P8 Ru4 S4 -","4","1","","Martins, Felipe Terra; Corrêa, Rodrigo S.; Batista, Alzir Azevedo; Ellena, Javier","Quasi-enantiomeric single-nucleoside and quasi-racemic two-nucleoside hydrochloride salts and ruthenium complexes of cytidine and 2′,3′-dideoxycytidine analogs unveiling the negligible structure-driving role of the 2′,3′-moieties","CrystEngComm","2014","16","30","7013","","10.1039/C4CE00678J","","x-ray","0.71073","MoKα","","0.1054","0.0692","","","0.1495","0.1655","","","","","","1.032","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215884","10.432","0.001","20.6","0.003","27.012","0.005","90","","98.2","0.05","90","","5745.5","1.6","293","2","293","2","","","","","","","synthesis as described","7","P 1 21 1","P 2yb","4","ctd_cwbpy","","","- C114.5 H115 Cl2 N10 O21 P4 Ru2 -","- C114.5 H115 Cl2 N10 O21 P4 Ru2 -","- C229 H230 Cl4 N20 O42 P8 Ru4 -","2","1","","Martins, Felipe Terra; Corrêa, Rodrigo S.; Batista, Alzir Azevedo; Ellena, Javier","Quasi-enantiomeric single-nucleoside and quasi-racemic two-nucleoside hydrochloride salts and ruthenium complexes of cytidine and 2′,3′-dideoxycytidine analogs unveiling the negligible structure-driving role of the 2′,3′-moieties","CrystEngComm","2014","16","30","7013","","10.1039/C4CE00678J","","x-ray","0.71073","MoKα","","0.0767","0.0469","","","0.108","0.1184","","","","","","1.001","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7215885","15.0914","0.0002","16.7363","0.0003","13.0708","0.0003","90","","90","","90","","3301.35","0.11","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C30 H35 N6 O13 Tb -","- C30 H35 N6 O13 Tb -","- C120 H140 N24 O52 Tb4 -","4","1","","Yang, Qing-Yuan; Pan, Mei; Wei, Shi-Chao; Hsu, Chien-Wei; Lehn, Jean-Marie; Su, Cheng-Yong","Photoluminescent 3D lanthanide MOFs with a rare (10,3)-d net based on a new tripodal organic linker","CrystEngComm","2014","16","28","6469","","10.1039/c4ce00586d","","","1.54178","CuKα","","0.0354","0.0297","","","0.0655","0.0666","","","","","","1.052","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215886","15.1122","0.0002","16.7251","0.0002","13.2575","0.0002","90","","90","","90","","3350.87","0.08","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C30 H35 Ce N6 O13 -","- C30 H35 Ce N6 O13 -","- C120 H140 Ce4 N24 O52 -","4","1","","Yang, Qing-Yuan; Pan, Mei; Wei, Shi-Chao; Hsu, Chien-Wei; Lehn, Jean-Marie; Su, Cheng-Yong","Photoluminescent 3D lanthanide MOFs with a rare (10,3)-d net based on a new tripodal organic linker","CrystEngComm","2014","16","28","6469","","10.1039/c4ce00586d","","","1.54178","CuKα","","0.0318","0.0289","","","0.0683","0.0692","","","","","","0.997","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215887","5.05836","0.00011","7.1121","0.0003","45.2723","0.0017","90","","90","","90","","1628.7","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","S-naproxen L-alanine","(+)-(S)-2-(6-methoxynaphthalen-2-yl) propanoic acid (S)-2-Aminopropionic acid","","- C17 H21 N O5 -","- C17 H21 N O5 -","- C68 H84 N4 O20 -","4","1","","Tumanova, Natalia; Tumanov, Nikolay; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Leyssens, Tom","Structural insight into cocrystallization with zwitterionic co-formers: cocrystals of S-naproxen","CrystEngComm","2014","16","35","8185","","10.1039/C4CE00353E","","x-ray","0.68239","","","0.0512","0.05","","","0.1338","0.1349","","","","","","1.096","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215888","5.3366","0.0004","6.9013","0.0006","44.227","0.004","90","","90","","90","","1628.9","0.2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","S-naproxen D-alanine","(+)-(S)-2-(6-methoxynaphthalen-2-yl) propanoic acid (R)-2-Aminopropionic acid","","- C17 H21 N O5 -","- C17 H21 N O5 -","- C68 H84 N4 O20 -","4","1","","Tumanova, Natalia; Tumanov, Nikolay; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Leyssens, Tom","Structural insight into cocrystallization with zwitterionic co-formers: cocrystals of S-naproxen","CrystEngComm","2014","16","35","8185","","10.1039/C4CE00353E","","x-ray","0.71073","MoKα","","0.1001","0.0833","","","0.2141","0.2249","","","","","","1.139","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215889","5.88418","0.00016","11.3844","0.0003","34.6863","0.0009","90","","90","","90","","2323.56","0.11","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","S-naproxen D-tryptophan monohydrate","(+)-(S)-2-(6-methoxynaphthalen-2-yl) propanoic acid (2R)-2-amino-3-(1H-indol-3-yl)propanoic acid monohydrate","","- C25 H28 N2 O6 -","- C25 H28 N2 O6 -","- C100 H112 N8 O24 -","4","1","","Tumanova, Natalia; Tumanov, Nikolay; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Leyssens, Tom","Structural insight into cocrystallization with zwitterionic co-formers: cocrystals of S-naproxen","CrystEngComm","2014","16","35","8185","","10.1039/C4CE00353E","","x-ray","0.71073","MoKα","","0.0688","0.046","","","0.0901","0.0992","","","","","","1.033","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215890","9.4508","0.0004","5.9725","0.0002","18.9525","0.0007","90","","103.814","0.002","90","","1038.83","0.07","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","S-naproxen D-tyrosine","(+)-(S)-2-(6-methoxynaphthalen-2-yl)propanoic acid (R)-2-Amino-3-(4-hydroxyphenyl)propanoic acid","","- C23 H25 N O6 -","- C23 H25 N O6 -","- C46 H50 N2 O12 -","2","1","","Tumanova, Natalia; Tumanov, Nikolay; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Leyssens, Tom","Structural insight into cocrystallization with zwitterionic co-formers: cocrystals of S-naproxen","CrystEngComm","2014","16","35","8185","","10.1039/C4CE00353E","powder diffraction","x-ray","0.823065","","","","","","","","","","8.9902","32.9759","","","","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215891","7.339","0.005","3.915","0.003","22.078","0.014","90","","99.08","0.009","90","","626.4","0.8","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H6 Br2 S2 -","- C14 H6 Br2 S2 -","- C28 H12 Br4 S4 -","2","0.5","","Vyas, Vijay S.; Gutzler, Rico; Nuss, Jürgen; Kern, Klaus; Lotsch, Bettina V.","Optical gap in herringbone and π-stacked crystals of [1]benzothieno[3,2-b]benzothiophene and its brominated derivative","CrystEngComm","2014","16","32","7389","","10.1039/C4CE00752B","","x-ray","0.71073","MoKα","","0.0966","0.092","","","0.2529","0.2555","","","","","","1.187","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215892","11.8009","0.0018","5.8622","0.0009","7.9331","0.0012","90","","105.974","0.003","90","","527.61","0.14","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 S2 -","- C14 H8 S2 -","- C28 H16 S4 -","2","0.5","","Vyas, Vijay S.; Gutzler, Rico; Nuss, Jürgen; Kern, Klaus; Lotsch, Bettina V.","Optical gap in herringbone and π-stacked crystals of [1]benzothieno[3,2-b]benzothiophene and its brominated derivative","CrystEngComm","2014","16","32","7389","","10.1039/C4CE00752B","","x-ray","0.71073","MoKα","","0.0298","0.0263","","","0.0717","0.0745","","","","","","1.087","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215893","9.615","0.0003","21.122","0.0009","13.152","0.0004","90","","91.126","0.003","90","","2670.5","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H52 Cd3 N14 O12 -","- C40 H52 Cd3 N14 O12 -","- C80 H104 Cd6 N28 O24 -","2","0.5","","He, Yuan-Chun; Guo, Jiao; Zhang, Hong-Mei; Ma, Jian-Fang; Liu, Ying-Ying","Tuning the void volume in a series of isomorphic porous metal‒organic frameworks by varying the solvent size and length of organic ligands","CrystEngComm","2014","16","24","5450","","10.1039/c4ce00347k","","","0.71069","MoKα","","0.0569","0.0482","","","0.1681","0.1783","","","","","","1.005","","","","has coordinates,has disorder","180489","2020-10-21","18:00:00",""
"7215894","9.628","0.0004","21.337","0.0007","13.208","0.0004","90","","91.953","0.003","90","","2711.78","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H52 Cd3 N14 O12 -","- C44 H34 Cd3 N14 O12 -","- C88 H68 Cd6 N28 O24 -","2","0.5","","He, Yuan-Chun; Guo, Jiao; Zhang, Hong-Mei; Ma, Jian-Fang; Liu, Ying-Ying","Tuning the void volume in a series of isomorphic porous metal‒organic frameworks by varying the solvent size and length of organic ligands","CrystEngComm","2014","16","24","5450","","10.1039/c4ce00347k","","","0.71069","MoKα","","0.0445","0.0356","","","0.0792","0.085","","","","","","1.08","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215895","9.638","0.0012","15.443","0.0015","18.717","0.0016","90","","90","","90","","2785.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H56 Cd3 N18 O12 -","- C44 H56 Cd3 N18 O12 -","- C88 H112 Cd6 N36 O24 -","2","0.5","","He, Yuan-Chun; Guo, Jiao; Zhang, Hong-Mei; Ma, Jian-Fang; Liu, Ying-Ying","Tuning the void volume in a series of isomorphic porous metal‒organic frameworks by varying the solvent size and length of organic ligands","CrystEngComm","2014","16","24","5450","","10.1039/c4ce00347k","","","0.71069","MoKα","","0.0624","0.0427","","","0.0853","0.0953","","","","","","1.007","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215896","10.974","0.0005","22.669","0.0013","14.106","0.0007","90","","96.637","0.004","90","","3485.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H72 Cd3 N32 O7 -","- C48 H72 Cd3 N32 O7 -","- C96 H144 Cd6 N64 O14 -","2","0.5","","He, Yuan-Chun; Guo, Jiao; Zhang, Hong-Mei; Ma, Jian-Fang; Liu, Ying-Ying","Tuning the void volume in a series of isomorphic porous metal‒organic frameworks by varying the solvent size and length of organic ligands","CrystEngComm","2014","16","24","5450","","10.1039/c4ce00347k","","","0.71069","MoKα","","0.118","0.0599","","","0.1079","0.1343","","","","","","1.027","","","","has coordinates,has disorder","180489","2020-10-21","18:00:00",""
"7215897","11.029","0.0004","22.762","0.0007","14.48","0.0004","90","","97.147","0.003","90","","3606.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H72 Cd3 N32 O7 -","- C54 H70 Cd3 N32 O7 -","- C108 H140 Cd6 N64 O14 -","2","0.5","","He, Yuan-Chun; Guo, Jiao; Zhang, Hong-Mei; Ma, Jian-Fang; Liu, Ying-Ying","Tuning the void volume in a series of isomorphic porous metal‒organic frameworks by varying the solvent size and length of organic ligands","CrystEngComm","2014","16","24","5450","","10.1039/c4ce00347k","","","0.71069","MoKα","","0.0808","0.0457","","","0.0877","0.1053","","","","","","1.051","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215898","11.054","0.0005","22.723","0.001","14.666","0.0007","90","","96.8","0.004","90","","3657.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H76 Cd3 N38 O6 -","- C54 H76 Cd3 N38 O6 -","- C108 H152 Cd6 N76 O12 -","2","0.5","","He, Yuan-Chun; Guo, Jiao; Zhang, Hong-Mei; Ma, Jian-Fang; Liu, Ying-Ying","Tuning the void volume in a series of isomorphic porous metal‒organic frameworks by varying the solvent size and length of organic ligands","CrystEngComm","2014","16","24","5450","","10.1039/c4ce00347k","","","0.71069","MoKα","","0.0506","0.0375","","","0.08","0.0877","","","","","","1.041","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215899","26.674","0.002","26.674","0.002","18.4694","0.002","90","","90","","120","","11380.5","1.7","100","2","100","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C10 H7 Co N5 O2 -","- C10 H7 Co N5 O2 -","- C240 H168 Co24 N120 O48 -","24","1","","Panda, Tamas; Gupta, Krishna M.; Jiang, Jianwen; Banerjee, Rahul","Enhancement of CO2 uptake in iso-reticular Co based zeolitic imidazolate frameworks via metal replacement","CrystEngComm","2014","16","22","4677","","10.1039/c3ce42075b","","","0.71073","MoKα","","0.163","0.0992","","","0.2938","0.33","","","","","","0.884","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215900","26.113","0.002","26.113","0.002","19.6459","0.0014","90","","90","","120","","11601.6","1.5","100","2","100","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C10 H5 Cl2 Co N5 O2 -","- C10 H5 Cl2 Co N5 O2 -","- C240 H120 Cl48 Co24 N120 O48 -","24","1","","Panda, Tamas; Gupta, Krishna M.; Jiang, Jianwen; Banerjee, Rahul","Enhancement of CO2 uptake in iso-reticular Co based zeolitic imidazolate frameworks via metal replacement","CrystEngComm","2014","16","22","4677","","10.1039/c3ce42075b","","","0.71073","MoKα","","0.1765","0.0997","","","0.2862","0.334","","","","","","0.979","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215901","25.9949","0.0012","25.9949","0.0012","19.7757","0.0011","90","","90","","120","","11572.8","1","100","2","100","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C10 H5 Br2 Co N5 O2 -","- C10 H5 Br2 Co N5 O2 -","- C240 H120 Br48 Co24 N120 O48 -","24","1","","Panda, Tamas; Gupta, Krishna M.; Jiang, Jianwen; Banerjee, Rahul","Enhancement of CO2 uptake in iso-reticular Co based zeolitic imidazolate frameworks via metal replacement","CrystEngComm","2014","16","22","4677","","10.1039/c3ce42075b","","","0.71073","MoKα","","0.1975","0.0995","","","0.2545","0.3115","","","","","","0.702","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215902","16.963","0.003","13.596","0.002","12.654","0.002","90","","106.632","0.002","90","","2796.3","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H15 F15 N4 O3 -","- C27 H15 F15 N4 O3 -","- C108 H60 F60 N16 O12 -","4","1","","Saha, Subrata; Akhuli, Bidyut; Ravikumar, I.; Lakshminarayanan, P. S.; Ghosh, Pradyut","Recognition of fluoride in fluorophenyl attached tripodal amide receptors: structural evidence of solvent capped encapsulation of anion in a C3v-symmetric tripodal cleft","CrystEngComm","2014","16","22","4796","","10.1039/c3ce42440e","","","0.71073","MoKα","","0.0599","0.0359","","","0.0846","0.0973","","","","","","1.021","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215903","10.891","0.0017","17.196","0.003","14.431","0.002","90","","103.322","0.004","90","","2629.9","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H18 F12 N4 O3 -","- C27 H18 F12 N4 O3 -","- C108 H72 F48 N16 O12 -","4","1","","Saha, Subrata; Akhuli, Bidyut; Ravikumar, I.; Lakshminarayanan, P. S.; Ghosh, Pradyut","Recognition of fluoride in fluorophenyl attached tripodal amide receptors: structural evidence of solvent capped encapsulation of anion in a C3v-symmetric tripodal cleft","CrystEngComm","2014","16","22","4796","","10.1039/c3ce42440e","","","0.71073","MoKα","","0.0533","0.0391","","","0.1005","0.1123","","","","","","1.012","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215904","11.8227","0.0009","13.8754","0.001","15.4686","0.0011","86.231","0.001","76.249","0.001","86.874","0.001","2457.5","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H52 Cl3 F16 N5 O3 -","- C44 H52 Cl3 F16 N5 O3 -","- C88 H104 Cl6 F32 N10 O6 -","2","1","","Saha, Subrata; Akhuli, Bidyut; Ravikumar, I.; Lakshminarayanan, P. S.; Ghosh, Pradyut","Recognition of fluoride in fluorophenyl attached tripodal amide receptors: structural evidence of solvent capped encapsulation of anion in a C3v-symmetric tripodal cleft","CrystEngComm","2014","16","22","4796","","10.1039/c3ce42440e","","","0.71073","MoKα","","0.0612","0.039","","","0.0866","0.0974","","","","","","1.025","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215905","14.4149","0.0008","16.8287","0.001","22.6106","0.0012","90","","101.373","0.002","90","","5377.3","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H52 Cl4 F15 N5 O3 -","- C44 H52 Cl4 F15 N5 O3 -","- C176 H208 Cl16 F60 N20 O12 -","4","1","","Saha, Subrata; Akhuli, Bidyut; Ravikumar, I.; Lakshminarayanan, P. S.; Ghosh, Pradyut","Recognition of fluoride in fluorophenyl attached tripodal amide receptors: structural evidence of solvent capped encapsulation of anion in a C3v-symmetric tripodal cleft","CrystEngComm","2014","16","22","4796","","10.1039/c3ce42440e","","","0.71073","MoKα","","0.1168","0.0987","","","0.2871","0.3073","","","","","","1.009","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215906","8.053","0.0003","9.722","0.0004","16.051","0.0004","90","","96.788","0.002","90","","1247.84","0.08","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 N6 O6 Pd S2 -","- C22 H16 N6 O6 Pd S2 -","- C44 H32 N12 O12 Pd2 S4 -","2","0.5","","Pérez, José; Serrano, J. Luis; da Silva, Ivan; Espinosa, Arturo; Pérez, Eduardo; García, Luis","Ligand hierarchy on driving the crystal packing. Effect of supramolecular interactions on solid-state conformations adopted by saccharinate Pd(ii) complexes","CrystEngComm","2014","16","30","7124","","10.1039/C4CE00518J","","","0.71073","MoKα","","0.0772","0.0397","","","0.1023","0.1269","","","","","","1.041","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215907","8.3977","0.0014","11.2186","0.0018","12.207","0.002","90","","108.288","0.005","90","","1091.9","0.3","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C9 H10 N O3 Pd0.5 S2 -","- C9 H10 N O3 Pd0.5 S2 -","- C36 H40 N4 O12 Pd2 S8 -","4","1","","Pérez, José; Serrano, J. Luis; da Silva, Ivan; Espinosa, Arturo; Pérez, Eduardo; García, Luis","Ligand hierarchy on driving the crystal packing. Effect of supramolecular interactions on solid-state conformations adopted by saccharinate Pd(ii) complexes","CrystEngComm","2014","16","30","7124","","10.1039/C4CE00518J","","","0.71073","MoKα","","0.0606","0.0567","","","0.1692","0.1752","","","","","","1.065","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215908","22.245","0.002","13.6954","0.0014","7.5899","0.0008","90","","90","","90","","2312.3","0.4","293","2","293","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C18 H22 N2 O8 Pd S4 -","- C18 H22 N2 O8 Pd S4 -","- C72 H88 N8 O32 Pd4 S16 -","4","0.5","","Pérez, José; Serrano, J. Luis; da Silva, Ivan; Espinosa, Arturo; Pérez, Eduardo; García, Luis","Ligand hierarchy on driving the crystal packing. Effect of supramolecular interactions on solid-state conformations adopted by saccharinate Pd(ii) complexes","CrystEngComm","2014","16","30","7124","","10.1039/C4CE00518J","","","0.71073","MoKα","","0.0418","0.0396","","","0.0993","0.1004","","","","","","1.065","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215909","12.03223","0.00012","14.00604","0.00015","9.78155","0.0001","90","","110.872","0.0013","90","","1540.25","0.03","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 N6 O8 Pd S2 -","- C26 H20 N6 O8 Pd S2 -","- C52 H40 N12 O16 Pd2 S4 -","2","0.5","","Pérez, José; Serrano, J. Luis; da Silva, Ivan; Espinosa, Arturo; Pérez, Eduardo; García, Luis","Ligand hierarchy on driving the crystal packing. Effect of supramolecular interactions on solid-state conformations adopted by saccharinate Pd(ii) complexes","CrystEngComm","2014","16","30","7124","","10.1039/C4CE00518J","powder diffraction","","0.8269","synchrotron","","","","","","","","","3.7832","2.6442","","","","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215910","9.67234","0.0001","14.37138","0.00015","8.18547","0.0001","90","","92.7327","0.0001","90","","1136.53","0.02","298","","298","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C20 H20 N6 O6 Pd -","- C20 H20 N6 O6 Pd -","- C40 H40 N12 O12 Pd2 -","2","0.5","","Pérez, José; Serrano, J. Luis; da Silva, Ivan; Espinosa, Arturo; Pérez, Eduardo; García, Luis","Ligand hierarchy on driving the crystal packing. Effect of supramolecular interactions on solid-state conformations adopted by saccharinate Pd(ii) complexes","CrystEngComm","2014","16","30","7124","","10.1039/C4CE00518J","powder diffraction","","0.8269","synchrotron","","","","","","","","","4.3496","2.5756","","","","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215911","16.24","0.0007","13.6625","0.0005","14.8867","0.0007","90","","111.728","0.005","90","","3068.4","0.2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22.5 H30.5 Ag2 Fe N8.5 O3 -","- C20 H20 Ag2 Fe N8 -","- C80 H80 Ag8 Fe4 N32 -","4","0.5","","Li, Jin-Yan; Ni, Zhao-Ping; Yan, Zheng; Zhang, Ze-Min; Chen, Yan-Cong; Liu, Wei; Tong, Ming-Liang","Cyanide-bridged bimetallic 3D Hoffman-like coordination polymers with tunable magnetic behaviour","CrystEngComm","2014","16","28","6444","","10.1039/c4ce00342j","","","1.54178","CuKα","","0.0484","0.0448","","","0.1139","0.1162","","","","","","1.075","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7215912","16.3171","0.0009","13.8577","0.0005","14.8466","0.0009","90","","111.744","0.006","90","","3118.2","0.3","225","2","225","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22.5 H30.5 Ag2 Fe N8.5 O3 -","- C20 H20 Ag2 Fe N8 -","- C80 H80 Ag8 Fe4 N32 -","4","0.5","","Li, Jin-Yan; Ni, Zhao-Ping; Yan, Zheng; Zhang, Ze-Min; Chen, Yan-Cong; Liu, Wei; Tong, Ming-Liang","Cyanide-bridged bimetallic 3D Hoffman-like coordination polymers with tunable magnetic behaviour","CrystEngComm","2014","16","28","6444","","10.1039/c4ce00342j","","","1.54178","CuKα","","0.0586","0.0528","","","0.1419","0.1476","","","","","","1.071","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7215913","16.622","0.002","13.9014","0.001","15.434","0.003","90","","112.586","0.017","90","","3292.8","0.9","300","2","300","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22.5 H30.5 Ag2 Fe N8.5 O3 -","- C20 H20 Ag2 Fe N8 -","- C80 H80 Ag8 Fe4 N32 -","4","0.5","","Li, Jin-Yan; Ni, Zhao-Ping; Yan, Zheng; Zhang, Ze-Min; Chen, Yan-Cong; Liu, Wei; Tong, Ming-Liang","Cyanide-bridged bimetallic 3D Hoffman-like coordination polymers with tunable magnetic behaviour","CrystEngComm","2014","16","28","6444","","10.1039/c4ce00342j","","","1.54178","CuKα","","0.0828","0.0682","","","0.1835","0.1961","","","","","","1.138","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7215914","16.4515","0.0008","14.2025","0.0007","14.2637","0.0007","90","","112.084","0.001","90","","3088.2","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H32 Au2 Fe N9 O2.5 -","- C20 H20 Au2 Fe N8 -","- C80 H80 Au8 Fe4 N32 -","4","0.5","","Li, Jin-Yan; Ni, Zhao-Ping; Yan, Zheng; Zhang, Ze-Min; Chen, Yan-Cong; Liu, Wei; Tong, Ming-Liang","Cyanide-bridged bimetallic 3D Hoffman-like coordination polymers with tunable magnetic behaviour","CrystEngComm","2014","16","28","6444","","10.1039/c4ce00342j","","","0.71073","MoKα","","0.052","0.0434","","","0.0971","0.1023","","","","","","1.102","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7215915","16.7493","0.0016","14.8047","0.0014","14.5137","0.0012","90","","113.493","0.003","90","","3300.6","0.5","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H32 Au2 Fe N9 O2.5 -","- C20 H20 Au2 Fe N8 -","- C80 H80 Au8 Fe4 N32 -","4","0.5","","Li, Jin-Yan; Ni, Zhao-Ping; Yan, Zheng; Zhang, Ze-Min; Chen, Yan-Cong; Liu, Wei; Tong, Ming-Liang","Cyanide-bridged bimetallic 3D Hoffman-like coordination polymers with tunable magnetic behaviour","CrystEngComm","2014","16","28","6444","","10.1039/c4ce00342j","","","0.71073","MoKα","","0.0972","0.066","","","0.1731","0.1921","","","","","","1.125","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7215916","11.5168","0.0011","10.1374","0.0008","9.6121","0.0009","90","","103.266","0.003","90","","1092.27","0.17","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Fe N8 Ni -","- C20 H20 Fe N8 Ni -","- C40 H40 Fe2 N16 Ni2 -","2","0.5","","Li, Jin-Yan; Ni, Zhao-Ping; Yan, Zheng; Zhang, Ze-Min; Chen, Yan-Cong; Liu, Wei; Tong, Ming-Liang","Cyanide-bridged bimetallic 3D Hoffman-like coordination polymers with tunable magnetic behaviour","CrystEngComm","2014","16","28","6444","","10.1039/c4ce00342j","","","0.71073","MoKα","","0.0701","0.0396","","","0.0846","0.0989","","","","","","0.982","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215917","15.7239","0.0019","16.158","0.002","40.866","0.01","90","","90","","90","","10383","3","296","2","296","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C15 H11 Co N2 O6 S2 -","- C15 H11 Co N2 O6 S2 -","- C240 H176 Co16 N32 O96 S32 -","16","0.5","","Sanda, Suresh; Goswami, Soumyabrata; Jena, Himanshu Sekhar; Parshamoni, Srinivasulu; Konar, Sanjit","A family of three magnetic metal organic frameworks: their synthesis, structural, magnetic and vapour adsorption study","CrystEngComm","2014","16","22","4742","","10.1039/c3ce42451k","","","0.71073","MoKα","","0.0848","0.0846","","","0.2473","0.2475","","","","","","1.117","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215918","8.315","0.002","10.205","0.003","20.279","0.005","90","","113.12","0.012","90","","1582.6","0.7","296","2","296","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C30 H18 Cu N4 O10 S4 -","- C30 H18 Cu N4 O10 S4 -","- C60 H36 Cu2 N8 O20 S8 -","2","0.5","","Sanda, Suresh; Goswami, Soumyabrata; Jena, Himanshu Sekhar; Parshamoni, Srinivasulu; Konar, Sanjit","A family of three magnetic metal organic frameworks: their synthesis, structural, magnetic and vapour adsorption study","CrystEngComm","2014","16","22","4742","","10.1039/c3ce42451k","","","0.71073","MoKα","","0.0582","0.0567","","","0.1696","0.1713","","","","","","1.009","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215919","15.8979","0.0012","15.7892","0.0012","20.3288","0.0016","90","","106.324","0.008","90","","4897.1","0.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H18 N4 Ni2 O25 S4 -","- C34 H18 N4 Ni2 O25 S4 -","- C136 H72 N16 Ni8 O100 S16 -","4","0.5","","Sanda, Suresh; Goswami, Soumyabrata; Jena, Himanshu Sekhar; Parshamoni, Srinivasulu; Konar, Sanjit","A family of three magnetic metal organic frameworks: their synthesis, structural, magnetic and vapour adsorption study","CrystEngComm","2014","16","22","4742","","10.1039/c3ce42451k","","","0.71073","MoKα","","0.1013","0.0931","","","0.2556","0.2606","","","","","","1.162","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215920","6.0904","0.0015","10.3943","0.0015","13.5423","0.0019","73.19","0.05","79.7","0.05","78.31","0.06","797","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Cytosine tribromoacetate","","","- C10 Br3 N6 O4 -","- C10 Br3 N6 O4 -","- C20 Br6 N12 O8 -","2","1","","Chakraborty, Shaunak; Ganguly, Somnath; Desiraju, Gautam R.","Synthon transferability probed with IR spectroscopy: cytosine salts as models for salts of lamivudine","CrystEngComm","2014","16","22","4732","","10.1039/c3ce42156b","","","0.71073","MoKα","","0.0841","0.0703","","","0.1747","0.2127","","","","","","1.189","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215921","12.8936","0.0011","6.6821","0.0005","17.1763","0.0013","90","","108.031","0.002","90","","1407.17","0.19","296","2","296","2","","","","","","","","4","P 1 2 1","P 2y","3","","","","- C10 N3 O7.5 S -","- C10 N3 O7.5 S -","- C40 N12 O30 S4 -","4","2","","Chakraborty, Shaunak; Ganguly, Somnath; Desiraju, Gautam R.","Synthon transferability probed with IR spectroscopy: cytosine salts as models for salts of lamivudine","CrystEngComm","2014","16","22","4732","","10.1039/c3ce42156b","","","0.71073","MoKα","","0.1282","0.1174","","","0.3467","0.3622","","","","","","1.687","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215922","6.7021","0.0015","9.134","0.002","37.734","0.01","90","","90","","90","","2310","0.9","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 N6 O10 S2 -","- C18 H24 N6 O10 S2 -","- C72 H96 N24 O40 S8 -","4","1","","Chakraborty, Shaunak; Ganguly, Somnath; Desiraju, Gautam R.","Synthon transferability probed with IR spectroscopy: cytosine salts as models for salts of lamivudine","CrystEngComm","2014","16","22","4732","","10.1039/c3ce42156b","","","0.71073","MoKα","","0.0672","0.0588","","","0.1465","0.1631","","","","","","1.092","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215923","6.944","0.0007","28.891","0.003","6.9559","0.0008","90","","95.357","0.004","90","","1389.4","0.3","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H34 N6 O10 S2 -","- C23 H34 N6 O10 S2 -","- C46 H68 N12 O20 S4 -","2","1","","Chakraborty, Shaunak; Ganguly, Somnath; Desiraju, Gautam R.","Synthon transferability probed with IR spectroscopy: cytosine salts as models for salts of lamivudine","CrystEngComm","2014","16","22","4732","","10.1039/c3ce42156b","","","0.71073","MoKα","","0.0452","0.0412","","","0.1043","0.1176","","","","","","1.105","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215924","8.3066","0.0004","9.3439","0.0004","11.7372","0.0005","79.248","0.002","70.499","0.002","75.926","0.002","827.41","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","Pr_mal_fumarate","","","- C10 H14 O15 Pr2 -","- C10 H14 O15 Pr2 -","- C20 H28 O30 Pr4 -","2","1","","Sushrutha, S. R.; Natarajan, Srinivasan","Rare-earth carboxylates, [Ln2(iii)(μ3-OH)(C4H4O5)2(C4H2O4)]·2H2O [Ln = Ce, Pr and Nd]: synthesis, structure and properties","CrystEngComm","2014","16","22","4774","","10.1039/c3ce42311e","","","0.71073","MoKα","","0.0315","0.0276","","","0.0763","0.0792","","","","","","1.065","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215925","8.2557","0.0005","9.3918","0.0006","11.6162","0.0008","80.241","0.006","70.487","0.006","75.339","0.005","817.73","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","pr_mal_fumarate_ht","","","- C10 H9 O13 Pr2 -","- C10 H9 O13 Pr2 -","- C20 H18 O26 Pr4 -","2","1","","Sushrutha, S. R.; Natarajan, Srinivasan","Rare-earth carboxylates, [Ln2(iii)(μ3-OH)(C4H4O5)2(C4H2O4)]·2H2O [Ln = Ce, Pr and Nd]: synthesis, structure and properties","CrystEngComm","2014","16","22","4774","","10.1039/c3ce42311e","","","0.71073","MoKα","","0.0365","0.0314","","","0.078","0.0823","","","","","","1.028","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215926","8.2494","0.0004","9.311","0.0004","11.6959","0.0006","79.306","0.004","70.324","0.004","76.048","0.004","815.58","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Nd_mal_fumarate","","","- C10 H10 Nd2 O15 -","- C10 H10 Nd2 O15 -","- C20 H20 Nd4 O30 -","2","1","","Sushrutha, S. R.; Natarajan, Srinivasan","Rare-earth carboxylates, [Ln2(iii)(μ3-OH)(C4H4O5)2(C4H2O4)]·2H2O [Ln = Ce, Pr and Nd]: synthesis, structure and properties","CrystEngComm","2014","16","22","4774","","10.1039/c3ce42311e","","","0.71073","MoKα","","0.0278","0.0243","","","0.0578","0.06","","","","","","1.021","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215927","7.341","0.0005","7.4478","0.0004","24.44","0.003","96.237","0.007","90.714","0.007","103.836","0.005","1288.8","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","TBPO.4-nitrobenzoic acid","","","- C27 H24 N4 O9 -","- C27 H24 N4 O9 -","- C54 H48 N8 O18 -","2","1","","Saraswatula, Viswanadha G.; Bhat, Mukhtar A.; Gurunathan, Pradeep Kumar; Saha, Binoy K.","Comparison of pyridyl and pyridyl N-oxide groups as acceptor in hydrogen bonding with carboxylic acid","CrystEngComm","2014","16","22","4715","","10.1039/c3ce42449a","","","0.7107","MoKα","","0.154","0.0569","","","0.1024","0.1421","","","","","","0.972","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215928","15.3106","0.0011","11.2938","0.0007","14.6971","0.0007","90","","99.163","0.006","90","","2508.9","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 N4 O5 -","- C29 H24 N4 O5 -","- C116 H96 N16 O20 -","4","1","","Saraswatula, Viswanadha G.; Bhat, Mukhtar A.; Gurunathan, Pradeep Kumar; Saha, Binoy K.","Comparison of pyridyl and pyridyl N-oxide groups as acceptor in hydrogen bonding with carboxylic acid","CrystEngComm","2014","16","22","4715","","10.1039/c3ce42449a","","","0.71073","MoKα","","0.1305","0.0551","","","0.1218","0.1584","","","","","","0.997","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215929","6.2766","0.0009","7.8957","0.0013","17.992","0.003","100.669","0.013","93.653","0.012","95.958","0.013","868.4","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","TBPO.4-hydroxybenzoic acid","","","- C20 H20 N2 O4 -","- C20 H20 N2 O4 -","- C40 H40 N4 O8 -","2","1","","Saraswatula, Viswanadha G.; Bhat, Mukhtar A.; Gurunathan, Pradeep Kumar; Saha, Binoy K.","Comparison of pyridyl and pyridyl N-oxide groups as acceptor in hydrogen bonding with carboxylic acid","CrystEngComm","2014","16","22","4715","","10.1039/c3ce42449a","","","0.7107","MoKα","","0.1378","0.0728","","","0.1627","0.2071","","","","","","0.995","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215930","7.3004","0.0009","10.1353","0.0013","20.884","0.002","99.943","0.009","90.989","0.009","108.782","0.012","1436.6","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","BPO.alpha-cyanocoumaric acid","","","- C33 H28 N4 O7 -","- C33 H28 N4 O7 -","- C66 H56 N8 O14 -","2","1","","Saraswatula, Viswanadha G.; Bhat, Mukhtar A.; Gurunathan, Pradeep Kumar; Saha, Binoy K.","Comparison of pyridyl and pyridyl N-oxide groups as acceptor in hydrogen bonding with carboxylic acid","CrystEngComm","2014","16","22","4715","","10.1039/c3ce42449a","","","0.7107","MoKα","","0.1791","0.1181","","","0.3032","0.3593","","","","","","1.061","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215931","6.4902","0.0017","7.288","0.002","16.056","0.003","88.34","0.02","78.438","0.019","73.56","0.03","713.3","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","BPO.4-hydroxybenzoic acid","","","- C17 H14 N2 O4 -","- C17 H14 N2 O4 -","- C34 H28 N4 O8 -","2","1","","Saraswatula, Viswanadha G.; Bhat, Mukhtar A.; Gurunathan, Pradeep Kumar; Saha, Binoy K.","Comparison of pyridyl and pyridyl N-oxide groups as acceptor in hydrogen bonding with carboxylic acid","CrystEngComm","2014","16","22","4715","","10.1039/c3ce42449a","","","0.7107","MoKα","","0.1789","0.0616","","","0.1182","0.1693","","","","","","0.972","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215932","13.3286","0.0004","10.7445","0.0003","12.3344","0.0004","90","","102.018","0.003","90","","1727.68","0.09","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C20 H15 N3 O4 -","- C20 H15 N3 O4 -","- C80 H60 N12 O16 -","4","1","","Saraswatula, Viswanadha G.; Bhat, Mukhtar A.; Gurunathan, Pradeep Kumar; Saha, Binoy K.","Comparison of pyridyl and pyridyl N-oxide groups as acceptor in hydrogen bonding with carboxylic acid","CrystEngComm","2014","16","22","4715","","10.1039/c3ce42449a","","","0.7107","MoKα","","0.037","0.0338","","","0.0851","0.0883","","","","","","1.035","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215933","6.8052","0.0004","9.9004","0.0007","12.1414","0.001","111.542","0.007","93.418","0.006","98.055","0.006","747.87","0.1","150","","150","","","","","","","","","4","P -1","-P 1","2","BPO.4-hydroxybenzoic acid.H2O","","","- C17 H16 N2 O5 -","- C17 H16 N2 O5 -","- C34 H32 N4 O10 -","2","1","","Saraswatula, Viswanadha G.; Bhat, Mukhtar A.; Gurunathan, Pradeep Kumar; Saha, Binoy K.","Comparison of pyridyl and pyridyl N-oxide groups as acceptor in hydrogen bonding with carboxylic acid","CrystEngComm","2014","16","22","4715","","10.1039/c3ce42449a","","","0.7107","MoKα","","0.0458","0.0379","","","0.0935","0.1003","","","","","","1.061","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215934","7.6894","0.0005","19.34","0.001","10.691","0.0006","90","","101.843","0.005","90","","1556.05","0.16","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","BPO.p-coumaric acid","","","- C19 H16 N2 O4 -","- C19 H16 N2 O4 -","- C76 H64 N8 O16 -","4","1","","Saraswatula, Viswanadha G.; Bhat, Mukhtar A.; Gurunathan, Pradeep Kumar; Saha, Binoy K.","Comparison of pyridyl and pyridyl N-oxide groups as acceptor in hydrogen bonding with carboxylic acid","CrystEngComm","2014","16","22","4715","","10.1039/c3ce42449a","","","0.7107","MoKα","","0.0841","0.0462","","","0.0945","0.1104","","","","","","1.036","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215935","22.305","0.002","12.0112","0.0012","15.3336","0.0015","90","","100.953","0.002","90","","4033.2","0.7","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","chlorodimethyl sulfonylhydrazone","chlorodimethyl sulfonylhydrazone","","- C21 H19 Cl N2 O2 S -","- C21 H19 Cl N2 O2 S -","- C168 H152 Cl8 N16 O16 S8 -","8","1","","Thakuria, Ranjit; Nath, Naba K.; Roy, Saikat; Nangia, Ashwini","Polymorphism and isostructurality in sulfonylhydrazones","CrystEngComm","2014","16","22","4681","","10.1039/c3ce42301h","","","0.71073","MoKα","","0.0663","0.0514","","","0.127","0.136","","","","","","1.039","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215936","11.726","0.005","15.488","0.007","22.317","0.01","90","","90","","90","","4053","3","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","chlorodimethyl sulfonylhydrazone","chlorodimethyl sulfonylhydrazone","","- C21 H19 Cl N2 O2 S -","- C21 H19 Cl N2 O2 S -","- C168 H152 Cl8 N16 O16 S8 -","8","1","","Thakuria, Ranjit; Nath, Naba K.; Roy, Saikat; Nangia, Ashwini","Polymorphism and isostructurality in sulfonylhydrazones","CrystEngComm","2014","16","22","4681","","10.1039/c3ce42301h","","","0.71073","MoKα","","0.0631","0.0451","","","0.1141","0.1268","","","","","","1.05","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215937","11.939","0.002","15.261","0.003","21.322","0.004","90","","90","","90","","3884.9","1.2","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","fluorodimethyl sulfonylhydrazone","fluorodimethyl sulfonylhydrazone","","- C21 H19 F N2 O2 S -","- C21 H19 F N2 O2 S -","- C168 H152 F8 N16 O16 S8 -","8","1","","Thakuria, Ranjit; Nath, Naba K.; Roy, Saikat; Nangia, Ashwini","Polymorphism and isostructurality in sulfonylhydrazones","CrystEngComm","2014","16","22","4681","","10.1039/c3ce42301h","","","0.71073","MoKα","","0.055","0.0428","","","0.1138","0.1233","","","","","","1.048","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215938","11.6335","0.0016","11.6089","0.0016","15.843","0.002","90","","96.67","0.002","90","","2125.1","0.5","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","methyldiiodo sulfonylhydrazone","methyldiiodo sulfonylhydrazone","","- C20 H16 I2 N2 O2 S -","- C20 H16 I2 N2 O2 S -","- C80 H64 I8 N8 O8 S4 -","4","1","","Thakuria, Ranjit; Nath, Naba K.; Roy, Saikat; Nangia, Ashwini","Polymorphism and isostructurality in sulfonylhydrazones","CrystEngComm","2014","16","22","4681","","10.1039/c3ce42301h","","","0.71073","MoKα","","0.0447","0.039","","","0.1003","0.1047","","","","","","1.064","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215939","23.334","0.008","11.594","0.004","15.6","0.005","90","","103.035","0.005","90","","4112","2","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","tribromo sulfonylhydrazone","tribromo sulfonylhydrazone","","- C19 H13 Br3 N2 O2 S -","- C19 H13 Br3 N2 O2 S -","- C152 H104 Br24 N16 O16 S8 -","8","1","","Thakuria, Ranjit; Nath, Naba K.; Roy, Saikat; Nangia, Ashwini","Polymorphism and isostructurality in sulfonylhydrazones","CrystEngComm","2014","16","22","4681","","10.1039/c3ce42301h","","","0.71073","MoKα","","0.0793","0.0399","","","0.0836","0.1011","","","","","","1.003","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215940","22.655","0.004","11.6004","0.0018","15.428","0.003","90","","101.926","0.003","90","","3967.1","1.2","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","trichloro sulfonylhydrazone","trichloro sulfonylhydrazone","","- C19 H13 Cl3 N2 O2 S -","- C19 H13 Cl3 N2 O2 S -","- C152 H104 Cl24 N16 O16 S8 -","8","1","","Thakuria, Ranjit; Nath, Naba K.; Roy, Saikat; Nangia, Ashwini","Polymorphism and isostructurality in sulfonylhydrazones","CrystEngComm","2014","16","22","4681","","10.1039/c3ce42301h","","","0.71073","MoKα","","0.092","0.0516","","","0.1124","0.1297","","","","","","1.016","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215941","9.236","0.002","8.784","0.002","29.629","0.007","90","","96.361","0.008","90","","2389","0.9","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H26 Cl6 Cu2 I2 N4 O8 -","- C36 H24 Cu2 I2 N4 O8 -","- C72 H48 Cu4 I4 N8 O16 -","2","0.5","","Mukherjee, Gargi; Biradha, Kumar","1D, 2D and 3D coordination polymers of 1,3-phenylene diisonicotinate with Cu(i)/Cu(ii): Cu2I2 building block, anion influence and guest inclusions","CrystEngComm","2014","16","22","4701","","10.1039/c4ce00123k","","","0.71073","MoKα","","0.1812","0.1241","","","0.2452","0.2529","","","","","","2.005","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215942","9.608","0.002","8.3895","0.0018","30.122","0.006","90","","97.841","0.006","90","","2405.3","0.9","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H34 Cu2 I2 N6 O12 -","- C48 H34 Cu2 I2 N6 O12 -","- C96 H68 Cu4 I4 N12 O24 -","2","0.5","","Mukherjee, Gargi; Biradha, Kumar","1D, 2D and 3D coordination polymers of 1,3-phenylene diisonicotinate with Cu(i)/Cu(ii): Cu2I2 building block, anion influence and guest inclusions","CrystEngComm","2014","16","22","4701","","10.1039/c4ce00123k","","","0.71073","MoKα","","0.103","0.0985","","","0.2364","0.2384","","","","","","1.065","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215943","9.47","0.003","8.587","0.003","30.417","0.009","90","","100.186","0.012","90","","2434.5","1.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H34 Cu2 I2 N6 O8 -","- C50 H34 Cu2 I2 N6 O8 -","- C100 H68 Cu4 I4 N12 O16 -","2","0.5","","Mukherjee, Gargi; Biradha, Kumar","1D, 2D and 3D coordination polymers of 1,3-phenylene diisonicotinate with Cu(i)/Cu(ii): Cu2I2 building block, anion influence and guest inclusions","CrystEngComm","2014","16","22","4701","","10.1039/c4ce00123k","","","0.71073","MoKα","","0.1764","0.1335","","","0.2975","0.3166","","","","","","1.011","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215944","9.6255","0.0019","8.448","0.0017","29.784","0.006","90","","94.921","0.007","90","","2413","0.8","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H34 Br2 Cu2 I2 N4 O8 -","- C48 H34 Br2 Cu2 I2 N4 O8 -","- C96 H68 Br4 Cu4 I4 N8 O16 -","2","0.5","","Mukherjee, Gargi; Biradha, Kumar","1D, 2D and 3D coordination polymers of 1,3-phenylene diisonicotinate with Cu(i)/Cu(ii): Cu2I2 building block, anion influence and guest inclusions","CrystEngComm","2014","16","22","4701","","10.1039/c4ce00123k","","","0.71073","MoKα","","0.1002","0.0672","","","0.2009","0.2177","","","","","","1.397","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215945","17.615","0.003","15.56","0.002","19.211","0.003","90","","115.087","0.004","90","","4768.8","1.3","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C37 H29 Cl3 Cu F12 N4 O10 P2 -","- C37 H24 Cl3 Cu F12 N4 O10 P2 -","- C148 H96 Cl12 Cu4 F48 N16 O40 P8 -","4","0.5","","Mukherjee, Gargi; Biradha, Kumar","1D, 2D and 3D coordination polymers of 1,3-phenylene diisonicotinate with Cu(i)/Cu(ii): Cu2I2 building block, anion influence and guest inclusions","CrystEngComm","2014","16","22","4701","","10.1039/c4ce00123k","","","0.71073","MoKα","","0.1104","0.0806","","","0.2175","0.2448","","","","","","0.977","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215946","16.835","0.008","9.707","0.005","39.767","0.019","90","","90.522","0.01","90","","6498","6","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C108 H106 Cl6 Cu3 N12 O65 -","- C108 H72 Cu3 N12 O27 -","- C216 H144 Cu6 N24 O54 -","2","0.5","","Mukherjee, Gargi; Biradha, Kumar","1D, 2D and 3D coordination polymers of 1,3-phenylene diisonicotinate with Cu(i)/Cu(ii): Cu2I2 building block, anion influence and guest inclusions","CrystEngComm","2014","16","22","4701","","10.1039/c4ce00123k","","","0.71073","MoKα","","0.126","0.0956","","","0.2194","0.234","","","","","","1.183","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215947","11.0728","0.0004","8.7248","0.0004","14.6199","0.0007","90","","109.072","0.002","90","","1334.87","0.1","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","Theophylline, Resorcinol cocrystal monohydrate","","- C13 H16 N4 O5 -","- C13 H16 N4 O5 -","- C52 H64 N16 O20 -","4","1","","Sarma, Bipul; Saikia, Basanta","Hydrogen bond synthon competition in the stabilization of theophylline cocrystals","CrystEngComm","2014","16","22","4753","","10.1039/c3ce42332h","","","0.71073","MoKα","","0.0628","0.0291","","","0.0849","0.1215","","","","","","1.252","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215948","6.7236","0.0003","23.2123","0.0009","9.2933","0.0003","90","","98.822","0.002","90","","1433.25","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Theophylline, phluroglucinol cocrystal monohydrate","","- C13 H16 N4 O6 -","- C13 H16 N4 O6 -","- C52 H64 N16 O24 -","4","1","","Sarma, Bipul; Saikia, Basanta","Hydrogen bond synthon competition in the stabilization of theophylline cocrystals","CrystEngComm","2014","16","22","4753","","10.1039/c3ce42332h","","","0.71073","MoKα","","0.1262","0.0617","","","0.1474","0.1872","","","","","","0.967","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215949","9.8095","0.0015","13.369","0.002","23.858","0.004","90","","90","","90","","3128.8","0.9","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Theophylline Orcinol cocrystal dihydrate","","- C14 H20 N4 O6 -","- C14 H20 N4 O6 -","- C112 H160 N32 O48 -","8","1","","Sarma, Bipul; Saikia, Basanta","Hydrogen bond synthon competition in the stabilization of theophylline cocrystals","CrystEngComm","2014","16","22","4753","","10.1039/c3ce42332h","","","0.71073","MoKα","","0.0491","0.0381","","","0.1076","0.133","","","","","","1.152","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215950","14.8098","0.0005","6.6905","0.0002","15.8509","0.0006","90","","94.469","0.002","90","","1565.81","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Theophylline, 2,6-Dihydroxybenzoic acid salt hydrate","","- C14 H16 N4 O7 -","- C14 H16 N4 O7 -","- C56 H64 N16 O28 -","4","1","","Sarma, Bipul; Saikia, Basanta","Hydrogen bond synthon competition in the stabilization of theophylline cocrystals","CrystEngComm","2014","16","22","4753","","10.1039/c3ce42332h","","","0.71073","MoKα","","0.1017","0.0575","","","0.167","0.2069","","","","","","1.046","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215951","7.3213","0.0002","8.0238","0.0002","12.6902","0.0002","81.646","0.001","85.601","0.001","82.156","0.001","729.44","0.03","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Theophylline, 3,5-Dihydroxybenzoic acid cocrystal","","- C14 H14 N4 O6 -","- C14 H14 N4 O6 -","- C28 H28 N8 O12 -","2","1","","Sarma, Bipul; Saikia, Basanta","Hydrogen bond synthon competition in the stabilization of theophylline cocrystals","CrystEngComm","2014","16","22","4753","","10.1039/c3ce42332h","","","0.71073","MoKα","","0.0688","0.0486","","","0.1381","0.1646","","","","","","1.073","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215952","8.094","0.0005","8.5956","0.0005","11.5891","0.0005","103.168","0.003","105.023","0.005","105.32","0.004","712.05","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Theophylline 3,4-Dihydroxybenzoic acid cocrystal","","- C14 H14 N4 O6 -","- C14 H14 N4 O6 -","- C28 H28 N8 O12 -","2","1","","Sarma, Bipul; Saikia, Basanta","Hydrogen bond synthon competition in the stabilization of theophylline cocrystals","CrystEngComm","2014","16","22","4753","","10.1039/c3ce42332h","","","0.71073","MoKα","","0.14","0.0753","","","0.2037","0.2776","","","","","","1.082","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215953","7.2792","0.0007","8.7135","0.0009","24.272","0.002","90","","96.128","0.004","90","","1530.7","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Theophylline Cinnamic acid cocrystal","","- C16 H16 N4 O4 -","- C16 H16 N4 O4 -","- C64 H64 N16 O16 -","4","1","","Sarma, Bipul; Saikia, Basanta","Hydrogen bond synthon competition in the stabilization of theophylline cocrystals","CrystEngComm","2014","16","22","4753","","10.1039/c3ce42332h","","","0.71073","MoKα","","0.1228","0.0777","","","0.2043","0.2414","","","","","","0.996","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215954","8.5707","0.0011","9.8985","0.0012","14.2812","0.0017","104.986","0.005","102.291","0.005","91.286","0.005","1139.7","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 N4 O9 Zn2 -","- C16 H16 N4 O9 Zn2 -","- C32 H32 N8 O18 Zn4 -","2","1","","Bhattacharya, Biswajit; Saha, Debraj; Maity, Dilip Kumar; Dey, Rajdip; Ghoshal, Debajyoti","Syntheses, X-ray structures, gas adsorption and luminescent properties of three coordination polymers of Zn(ii) dicarboxylates mixed with a linear, neutral, and rigid N,N′-donor ligand","CrystEngComm","2014","16","22","4783","","10.1039/c3ce42441c","","","0.71073","MoKα","","0.0571","0.0484","","","0.1722","0.1803","","","","","","1.116","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215955","5.2333","0.0001","9.158","0.0003","14.8415","0.0004","84.191","0.001","85.964","0.002","79.848","0.001","695.57","0.03","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H12 N2 O6 Zn -","- C10 H12 N2 O6 Zn -","- C20 H24 N4 O12 Zn2 -","2","1","","Bhattacharya, Biswajit; Saha, Debraj; Maity, Dilip Kumar; Dey, Rajdip; Ghoshal, Debajyoti","Syntheses, X-ray structures, gas adsorption and luminescent properties of three coordination polymers of Zn(ii) dicarboxylates mixed with a linear, neutral, and rigid N,N′-donor ligand","CrystEngComm","2014","16","22","4783","","10.1039/c3ce42441c","","","0.71073","MoKα","","0.0435","0.0415","","","0.1361","0.1373","","","","","","1.22","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215956","10.9188","0.0004","11.5059","0.0004","13.0695","0.0004","109.415","0.002","95.197","0.002","97.024","0.002","1521.76","0.09","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H18 N8 O9 Zn2 -","- C28 H18 N8 O9 Zn2 -","- C56 H36 N16 O18 Zn4 -","2","1","","Bhattacharya, Biswajit; Saha, Debraj; Maity, Dilip Kumar; Dey, Rajdip; Ghoshal, Debajyoti","Syntheses, X-ray structures, gas adsorption and luminescent properties of three coordination polymers of Zn(ii) dicarboxylates mixed with a linear, neutral, and rigid N,N′-donor ligand","CrystEngComm","2014","16","22","4783","","10.1039/c3ce42441c","","","0.71073","MoKα","","0.0535","0.0433","","","0.1143","0.1209","","","","","","1.046","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215957","7.7589","0.001","9.2634","0.0012","17.83","0.002","90.403","0.008","90.275","0.009","97.322","0.009","1271","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Felodipine : 4,4'-bipyridine (1:1)","","- C28 H27 Cl2 N3 O4 -","- C28 H27 Cl2 N3 O4 -","- C56 H54 Cl4 N6 O8 -","2","1","","Surov, Artem O.; Solanko, Katarzyna A.; Bond, Andrew D.; Bauer-Brandl, Annette; Perlovich, German L.","Polymorphism of felodipine co-crystals with 4,4′-bipyridine","CrystEngComm","2014","16","29","6603","","10.1039/c4ce00756e","","","0.71073","MoKα","","0.1542","0.0957","","","0.2379","0.2641","","","","","","1.131","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215958","10.4207","0.0009","10.6061","0.0009","11.2328","0.0009","67.167","0.004","73.749","0.004","81.109","0.005","1097","0.16","150","2","150","2","","","","","","","","5","P -1","-P 1","2","Felodipine : 4,4'-bipyridine (2:1)","","","- C46 H46 Cl4 N4 O8 -","- C46 H46 Cl4 N4 O8 -","- C46 H46 Cl4 N4 O8 -","1","0.5","","Surov, Artem O.; Solanko, Katarzyna A.; Bond, Andrew D.; Bauer-Brandl, Annette; Perlovich, German L.","Polymorphism of felodipine co-crystals with 4,4′-bipyridine","CrystEngComm","2014","16","29","6603","","10.1039/c4ce00756e","","","0.71073","MoKα","","0.1065","0.0719","","","0.1928","0.2191","","","","","","1.059","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215959","36.197","0.003","36.436","0.003","8.0228","0.0006","90","","90","","90","","10581.1","1.5","150","2","150","2","","","","","","","","5","F d d 2","F 2 -2d","43","","Felodipine : 4,4'-bipyridine (1:1)","","- C28 H27 Cl2 N3 O4 -","- C28 H27 Cl2 N3 O4 -","- C448 H432 Cl32 N48 O64 -","16","1","","Surov, Artem O.; Solanko, Katarzyna A.; Bond, Andrew D.; Bauer-Brandl, Annette; Perlovich, German L.","Polymorphism of felodipine co-crystals with 4,4′-bipyridine","CrystEngComm","2014","16","29","6603","","10.1039/c4ce00756e","","","0.71073","MoKα","","0.067","0.046","","","0.0992","0.1077","","","","","","1.049","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215960","8.863","0.001","23.742","0.002","8.907","0.001","90","","116.86","0.01","90","","1672.1","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H48 Cl2 Mg N4 O8 -","- C22 H48 Cl2 Mg N4 O8 -","- C44 H96 Cl4 Mg2 N8 O16 -","2","1","","Grepioni, Fabrizia; Wouters, Johan; Braga, Dario; Nanna, Saverio; Fours, Baptiste; Coquerel, Gérard; Longfils, Geraldine; Rome, Sandrine; Aerts, Luc; Quéré, Luc","Ionic co-crystals of racetams: solid-state properties enhancement of neutral active pharmaceutical ingredients via addition of Mg2+ and Ca2+ chlorides","CrystEngComm","2014","16","26","5887","","10.1039/c4ce00409d","","","1.54178","CuKα","","0.0695","0.0528","","","0.1382","0.1503","","","","","","1.052","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215961","5.9825","0.0011","9.0582","0.0017","34.096","0.006","90","","90","","90","","1847.7","0.6","293","2","293","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H24 Ca Cl2 N2 O4 -","- C11 H24 Ca Cl2 N2 O4 -","- C44 H96 Ca4 Cl8 N8 O16 -","4","1","","Grepioni, Fabrizia; Wouters, Johan; Braga, Dario; Nanna, Saverio; Fours, Baptiste; Coquerel, Gérard; Longfils, Geraldine; Rome, Sandrine; Aerts, Luc; Quéré, Luc","Ionic co-crystals of racetams: solid-state properties enhancement of neutral active pharmaceutical ingredients via addition of Mg2+ and Ca2+ chlorides","CrystEngComm","2014","16","26","5887","","10.1039/c4ce00409d","","x-ray","0.71073","MoKα","","0.0443","0.0377","","","0.0861","0.0886","","","","","","1.092","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215962","8.85","0.002","8.85","0.002","34.827","0.005","90","","90","","120","","2362.3","0.8","293","2","293","2","","","","","","","","7","P 32 2 1","P 32 2""","154","","","","- C20 H36 Cl2 F4 Mg N4 O8 -","- C20 H36 Cl2 F4 Mg N4 O8 -","- C60 H108 Cl6 F12 Mg3 N12 O24 -","3","0.5","","Grepioni, Fabrizia; Wouters, Johan; Braga, Dario; Nanna, Saverio; Fours, Baptiste; Coquerel, Gérard; Longfils, Geraldine; Rome, Sandrine; Aerts, Luc; Quéré, Luc","Ionic co-crystals of racetams: solid-state properties enhancement of neutral active pharmaceutical ingredients via addition of Mg2+ and Ca2+ chlorides","CrystEngComm","2014","16","26","5887","","10.1039/c4ce00409d","","","1.54178","CuKα","","0.0827","0.0498","","","0.1276","0.147","","","","","","1.046","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215963","5.9482","0.0008","9.0116","0.0008","17.114","0.002","90","","99.35","0.012","90","","905.17","0.18","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","co-crystals","","","- C10 H18 Ca Cl2 F2 N2 O4 -","- C10 H18 Ca Cl2 F2 N2 O4 -","- C20 H36 Ca2 Cl4 F4 N4 O8 -","2","1","","Grepioni, Fabrizia; Wouters, Johan; Braga, Dario; Nanna, Saverio; Fours, Baptiste; Coquerel, Gérard; Longfils, Geraldine; Rome, Sandrine; Aerts, Luc; Quéré, Luc","Ionic co-crystals of racetams: solid-state properties enhancement of neutral active pharmaceutical ingredients via addition of Mg2+ and Ca2+ chlorides","CrystEngComm","2014","16","26","5887","","10.1039/c4ce00409d","","","0.71073","MoKα","","0.1012","0.0795","","","0.1603","0.1704","","","","","","1.124","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215964","11.0697","0.0006","22.2083","0.0011","19.5333","0.0011","90","","90","","90","","4802.1","0.4","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C41 H45 N11 O13 Zn2 -","- C41 H45 N11 O13 Zn2 -","- C164 H180 N44 O52 Zn8 -","4","1","","Nagaraja, C. M.; Ugale, Bharat; Chanthapally, Anjana","Construction of 2D interwoven and 3D interpenetrated metal‒organic frameworks of Zn(ii) by varying N,N′-donor spacers","CrystEngComm","2014","16","22","4805","","10.1039/c3ce42454e","","","0.71073","MoKα","","0.0956","0.0661","","","0.1738","0.1906","","","","","","1.063","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215965","22.219","0.0013","5.5243","0.0003","18.4719","0.001","90","","115.962","0.002","90","","2038.5","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 N2 O8 Zn -","- C18 H22 N2 O8 Zn -","- C72 H88 N8 O32 Zn4 -","4","0.5","","Nagaraja, C. M.; Ugale, Bharat; Chanthapally, Anjana","Construction of 2D interwoven and 3D interpenetrated metal‒organic frameworks of Zn(ii) by varying N,N′-donor spacers","CrystEngComm","2014","16","22","4805","","10.1039/c3ce42454e","","","0.71073","MoKα","","0.0231","0.0225","","","0.0576","0.0581","","","","","","1.07","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215966","16","0.005","5.452","0.005","22.025","0.005","90","0.005","107.704","0.005","90","0.005","1830.3","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 N4 O4 Zn -","- C20 H18 N4 O4 Zn -","- C80 H72 N16 O16 Zn4 -","4","0.5","","Nagaraja, C. M.; Ugale, Bharat; Chanthapally, Anjana","Construction of 2D interwoven and 3D interpenetrated metal‒organic frameworks of Zn(ii) by varying N,N′-donor spacers","CrystEngComm","2014","16","22","4805","","10.1039/c3ce42454e","","","0.71073","MoKα","","0.023","0.0227","","","0.06","0.0602","","","","","","1.089","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215967","10.7575","0.0004","15.318","0.0006","29.3906","0.0013","81.112","0.001","87.711","0.001","84.536","0.001","4761.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C94 H86 N20 O18 Zn4 -","- C94 H86 N20 O18 Zn4 -","- C188 H172 N40 O36 Zn8 -","2","1","","Nagaraja, C. M.; Ugale, Bharat; Chanthapally, Anjana","Construction of 2D interwoven and 3D interpenetrated metal‒organic frameworks of Zn(ii) by varying N,N′-donor spacers","CrystEngComm","2014","16","22","4805","","10.1039/c3ce42454e","","","0.71073","MoKα","","0.1001","0.0525","","","0.1147","0.1337","","","","","","1.064","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215968","8.5561","0.0017","8.656","0.0018","24.424","0.005","93.654","0.003","95.997","0.003","91.067","0.004","1794.7","0.6","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C74 H88 Cd2 N12 O10 -","- C74 H84 Cd2 N12 O10 -","- C74 H84 Cd2 N12 O10 -","1","1","","Ahmad, Musheer; Katoch, Rajesh; Garg, Ashish; Bharadwaj, Parimal K.","A novel 3D 10-fold interpenetrated homochiral coordination polymer: large spontaneous polarization, dielectric loss and emission studies","CrystEngComm","2014","16","22","4766","","10.1039/c3ce42628a","","","0.71073","MoKα","","0.0762","0.0614","","","0.1382","0.1495","","","","","","1.024","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215969","15.0954","0.0006","11.5689","0.0004","10.6232","0.0004","90","","110.192","0.004","90","","1741.19","0.12","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H26 Co2 N2 O8 P2 -","- C12 H26 Co2 N2 O8 P2 -","- C48 H104 Co8 N8 O32 P8 -","4","1","","Patzschke, Christin; Forsyth, Craig M.; Batten, Stuart R.; Chaffee, Alan L.","Formation of a non-porous cobalt-phosphonate framework by small pH change in the preparation of the microporous STA-16(Co)","CrystEngComm","2014","16","28","6296","","10.1039/c4ce00509k","","","0.71073","MoKα","","0.0405","0.0356","","","0.0853","0.0892","","","","","","1.037","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215970","12.9496","0.0016","12.9821","0.0016","20.789","0.003","84.935","0.002","82.643","0.002","77.463","0.001","3376.9","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C116 H178 Co N4 O38 S12 -","- C116 H178 Co N4 O38 S12 -","- C116 H178 Co N4 O38 S12 -","1","0.5","","Drachnik, Amanda M.; Kumari, Harshita; Barnes, Charles L.; Deakyne, Carol A.; Atwood, Jerry L.","Encapsulation of manganese and cobalt complexes within resorcin[4]arene dimers","CrystEngComm","2014","16","31","7172","","10.1039/C4CE00556B","","","0.71073","MoKα","","0.1398","0.0982","","","0.2317","0.2735","","","","","","1.044","","","","has coordinates,has disorder","180490","2020-10-21","18:00:00",""
"7215971","12.3562","0.0003","12.5049","0.0003","19.3386","0.0004","89.472","0.001","80.7","0.001","79.3","0.001","2896.85","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C100 H156 Co N2 O32 S10 -","- C100 H156 Co N2 O32 S10 -","- C100 H156 Co N2 O32 S10 -","1","0.5","","Drachnik, Amanda M.; Kumari, Harshita; Barnes, Charles L.; Deakyne, Carol A.; Atwood, Jerry L.","Encapsulation of manganese and cobalt complexes within resorcin[4]arene dimers","CrystEngComm","2014","16","31","7172","","10.1039/C4CE00556B","","","1.54178","CuKα","","0.0626","0.0584","","","0.1619","0.1659","","","","","","1.078","","","","has coordinates,has disorder","180490","2020-10-21","18:00:00",""
"7215972","12.3466","0.0017","12.604","0.0017","18.908","0.003","89.008","0.002","81.577","0.002","78.725","0.002","2854.3","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C100 H156 Mn N2 O32 S10 -","- C100 H156 Mn N2 O32 S10 -","- C100 H156 Mn N2 O32 S10 -","1","0.5","","Drachnik, Amanda M.; Kumari, Harshita; Barnes, Charles L.; Deakyne, Carol A.; Atwood, Jerry L.","Encapsulation of manganese and cobalt complexes within resorcin[4]arene dimers","CrystEngComm","2014","16","31","7172","","10.1039/C4CE00556B","","","0.71073","MoKα","","0.1416","0.0674","","","0.1544","0.1929","","","","","","0.98","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215973","8.8478","0.0004","13.3523","0.0006","14.1584","0.0006","67.987","0.001","77.114","0.001","74.612","0.001","1480.77","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","Succinylsulfathiazole plymorph I","","","- C13 H13 N3 O5 S2 -","- C13 H13 N3 O5 S2 -","- C52 H52 N12 O20 S8 -","4","2","","Bag, Partha Pratim; Kothur, Raghuram Reddy; Malla Reddy, C.","Tautomeric preference in polymorphs and pseudopolymorphs of succinylsulfathiazole: fast evaporation screening and thermal studies","CrystEngComm","2014","16","22","4706","","10.1039/c3ce42159g","","","0.71073","MoKα","","0.0399","0.0344","","","0.1132","0.1223","","","","","","0.873","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215974","11.351","0.003","8.577","0.002","16.684","0.003","90","","107.483","0.005","90","","1549.3","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Succinylsulfathiazole plymorph II","","","- C13 H13 N3 O5 S2 -","- C13 H13 N3 O5 S2 -","- C52 H52 N12 O20 S8 -","4","1","","Bag, Partha Pratim; Kothur, Raghuram Reddy; Malla Reddy, C.","Tautomeric preference in polymorphs and pseudopolymorphs of succinylsulfathiazole: fast evaporation screening and thermal studies","CrystEngComm","2014","16","22","4706","","10.1039/c3ce42159g","","","0.71073","MoKα","","0.0798","0.0428","","","0.117","0.1495","","","","","","0.895","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215975","16.19","0.006","5.146","0.0014","19.449","0.007","90","","94.028","0.017","90","","1616.4","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Succinylsulfathiazole mono hydrate","","","- C13 H15 N3 O6 S2 -","- C13 H15 N3 O6 S2 -","- C52 H60 N12 O24 S8 -","4","1","","Bag, Partha Pratim; Kothur, Raghuram Reddy; Malla Reddy, C.","Tautomeric preference in polymorphs and pseudopolymorphs of succinylsulfathiazole: fast evaporation screening and thermal studies","CrystEngComm","2014","16","22","4706","","10.1039/c3ce42159g","","","0.71073","MoKα","","0.0503","0.0391","","","0.1016","0.1123","","","","","","1.018","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215976","8.5229","0.0004","14.5887","0.0007","15.2327","0.0007","64.777","0.001","78.161","0.001","82.086","0.001","1674.27","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Succinylsulfathiazole acetone solvate","","","- C29 H32 N6 O11 S4 -","- C29 H32 N6 O11 S4 -","- C58 H64 N12 O22 S8 -","2","1","","Bag, Partha Pratim; Kothur, Raghuram Reddy; Malla Reddy, C.","Tautomeric preference in polymorphs and pseudopolymorphs of succinylsulfathiazole: fast evaporation screening and thermal studies","CrystEngComm","2014","16","22","4706","","10.1039/c3ce42159g","","","0.71073","MoKα","","0.0781","0.0718","","","0.1465","0.151","","","","","","1.044","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215977","8.7032","0.0002","14.5604","0.0005","15.5676","0.0005","64.602","0.002","77.24","0.002","83.635","0.002","1737.79","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","Succinylsulfathiazole tetrahydrofuran solvate","","","- C30 H34 N6 O11 S4 -","- C30 H34 N6 O11 S4 -","- C60 H68 N12 O22 S8 -","2","1","","Bag, Partha Pratim; Kothur, Raghuram Reddy; Malla Reddy, C.","Tautomeric preference in polymorphs and pseudopolymorphs of succinylsulfathiazole: fast evaporation screening and thermal studies","CrystEngComm","2014","16","22","4706","","10.1039/c3ce42159g","","","0.71073","MoKα","","0.0753","0.044","","","0.125","0.1522","","","","","","0.882","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215978","19.7256","0.0011","7.8544","0.0004","6.5083","0.0004","90","","90","","90","","1008.35","0.1","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C2 H9 Ag Cu2 N2 S4 Sn -","- C Ag Cu2 N S4 Sn -","- C4 Ag4 Cu8 N4 S16 Sn4 -","4","0.5","","Xiong, weiwei; Miao, Jianwei; Li, Pei-Zhou; Zhao, Yanli; Liu, Bin; Zhang, qichun","[enH][Cu2AgSnS4]: A Quaternary Layered Sulfide Based on Cu-Ag-Sn-S Composition","CrystEngComm","2014","","","","","10.1039/c4ce00740a","","","0.71073","MoKα","","0.0437","0.0369","","","0.1164","0.1231","","","","","","1.046","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215979","31.788","0.002","18.353","0.002","34.619","0.004","90","","107.82","","90","","19228","3","200","2","200","2","","","","","","","","5","C 1 c 1","C -2yc","9","Compound 1a","","","- C179 H165 Cl6 N33 O22 -","- C179 H141 Cl6 N33 O22 -","- C716 H564 Cl24 N132 O88 -","4","1","","Chaudhari, Abhijeet K.; Sharma, Amitosh; Mukherjee, Soumya; Joarder, Biplab; Ghosh, Sujit K.","Capsule voided nanospace confinement in a π-stacked supramolecular organic solid","CrystEngComm","2014","16","22","4691","","10.1039/c3ce42509f","","","0.71073","MoKα","","0.2711","0.1279","","","0.3014","0.3864","","","","","","0.998","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215980","15.93","0.006","13.588","0.005","6.663","0.002","90","","97.392","0.005","90","","1430.3","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H15 N O11 Pr -","- C9 H15 N O11 Pr -","- C36 H60 N4 O44 Pr4 -","4","1","","Liu, Yi-Ting; Du, Yuan-Qi; Wu, Xiao; Zheng, Zhi-Peng; Lin, Xiao-Ming; Zhu, Li-Cai; Cai, Yue-Peng","A series of lanthanide complexes based on pyridine-3,5-dicarboxylate and succinate ligands: syntheses, structures and properties","CrystEngComm","2014","16","29","6797","","10.1039/c4ce00417e","","","0.71073","MoKα","","0.064","0.0504","","","0.1322","0.1435","","","","","","1.062","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215981","15.9131","0.0014","13.5396","0.0011","6.6475","0.0006","90","","97.662","0.001","90","","1419.5","0.2","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H15 Eu N O11 -","- C9 H15 Eu N O11 -","- C36 H60 Eu4 N4 O44 -","4","1","","Liu, Yi-Ting; Du, Yuan-Qi; Wu, Xiao; Zheng, Zhi-Peng; Lin, Xiao-Ming; Zhu, Li-Cai; Cai, Yue-Peng","A series of lanthanide complexes based on pyridine-3,5-dicarboxylate and succinate ligands: syntheses, structures and properties","CrystEngComm","2014","16","29","6797","","10.1039/c4ce00417e","","","0.71073","MoKα","","0.0387","0.031","","","0.0764","0.0812","","","","","","1.021","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215982","15.8734","0.0012","13.4525","0.001","6.6309","0.0005","90","","97.862","0.001","90","","1402.63","0.18","296","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H15 N O11 Tb -","- C9 H15 N O11 Tb -","- C36 H60 N4 O44 Tb4 -","4","1","","Liu, Yi-Ting; Du, Yuan-Qi; Wu, Xiao; Zheng, Zhi-Peng; Lin, Xiao-Ming; Zhu, Li-Cai; Cai, Yue-Peng","A series of lanthanide complexes based on pyridine-3,5-dicarboxylate and succinate ligands: syntheses, structures and properties","CrystEngComm","2014","16","29","6797","","10.1039/c4ce00417e","","","0.71073","MoKα","","0.0239","0.0227","","","0.0618","0.0626","","","","","","1.052","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215983","15.8585","0.0014","13.419","0.0011","6.6158","0.0006","90","","97.925","0.001","90","","1394.4","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H15 Er N O11 -","- C9 H15 Er N O11 -","- C36 H60 Er4 N4 O44 -","4","1","","Liu, Yi-Ting; Du, Yuan-Qi; Wu, Xiao; Zheng, Zhi-Peng; Lin, Xiao-Ming; Zhu, Li-Cai; Cai, Yue-Peng","A series of lanthanide complexes based on pyridine-3,5-dicarboxylate and succinate ligands: syntheses, structures and properties","CrystEngComm","2014","16","29","6797","","10.1039/c4ce00417e","","","0.71073","MoKα","","0.0462","0.0374","","","0.1002","0.1085","","","","","","1.0237","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215984","5.3448","0.0006","8.9517","0.001","15.6623","0.0018","104.912","0.001","93.036","0.001","97.157","0.001","715.65","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H13 N O10 Yb -","- C9 H13 N O10 Yb -","- C18 H26 N2 O20 Yb2 -","2","1","","Liu, Yi-Ting; Du, Yuan-Qi; Wu, Xiao; Zheng, Zhi-Peng; Lin, Xiao-Ming; Zhu, Li-Cai; Cai, Yue-Peng","A series of lanthanide complexes based on pyridine-3,5-dicarboxylate and succinate ligands: syntheses, structures and properties","CrystEngComm","2014","16","29","6797","","10.1039/c4ce00417e","","","0.71073","MoKα","","0.0261","0.0245","","","0.0607","0.0616","","","","","","1.068","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215985","5.34","0.0008","8.953","0.0014","15.655","0.002","104.76","0.002","93.015","0.002","97.273","0.002","715.11","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H13 Lu N O10 -","- C9 H13 Lu N O10 -","- C18 H26 Lu2 N2 O20 -","2","1","","Liu, Yi-Ting; Du, Yuan-Qi; Wu, Xiao; Zheng, Zhi-Peng; Lin, Xiao-Ming; Zhu, Li-Cai; Cai, Yue-Peng","A series of lanthanide complexes based on pyridine-3,5-dicarboxylate and succinate ligands: syntheses, structures and properties","CrystEngComm","2014","16","29","6797","","10.1039/c4ce00417e","","","0.71073","MoKα","","0.0284","0.0271","","","0.0775","0.0783","","","","","","1.056","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215986","8.1481","0.0003","10.7263","0.0003","13.4085","0.0004","86.933","0.002","84.68","0.003","81.508","0.003","1153.1","0.06","120","","120","","","","","","","","see text","4","P -1","-P 1","2","","","","- C27 H30 N2 O2 -","- C27 H30 N2 O2 -","- C54 H60 N4 O4 -","2","1","","Ahipa, T. N.; Kumar, Vijith; Shankar Rao, D. S.; Prasad, Subbarao Krishna; Adhikari, Airody Vasudeva","New 4-(2-(4-alkoxyphenyl)-6-methoxypyridin-4-yl)benzonitriles: synthesis, liquid crystalline behavior and photo physical properties","CrystEngComm","2014","16","25","5573","","10.1039/c4ce00128a","","x-ray","0.71073","MoKα","","0.0523","0.0416","","","0.1026","0.1094","","","","","","1.059","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215987","8.978","0.003","10.677","0.003","10.877","0.003","99.677","0.009","95.437","0.009","103.089","0.008","991.5","0.5","296","2","296","2","","","","","","","see text","4","P -1","-P 1","2","","","","- C23 H22 N2 O2 -","- C23 H22 N2 O2 -","- C46 H44 N4 O4 -","2","1","","Ahipa, T. N.; Kumar, Vijith; Shankar Rao, D. S.; Prasad, Subbarao Krishna; Adhikari, Airody Vasudeva","New 4-(2-(4-alkoxyphenyl)-6-methoxypyridin-4-yl)benzonitriles: synthesis, liquid crystalline behavior and photo physical properties","CrystEngComm","2014","16","25","5573","","10.1039/c4ce00128a","","x-ray","0.71073","MoKα","","0.1079","0.0537","","","0.1352","0.159","","","","","","0.994","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215988","7.4241","0.0006","7.4241","0.0006","8.7784","0.0008","90","","90","","120","","419.02","0.06","295","2","295","2","","","290000","","","","","5","R 3 m :H","R 3 -2""","160","guanidinium tetrafluoroborate","guanidinium tetrafluoroborate","","- C H6 B F4 N3 -","- C H6 B F4 N3 -","- C3 H18 B3 F12 N9 -","3","0.166667","","Szafrański, Marek","Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics","CrystEngComm","2014","","","","","10.1039/c4ce00697f","","","0.71073","MoKα","","0.0323","0.0319","","","0.0753","0.0757","","","","","","1.171","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215989","7.4121","0.0004","7.4121","0.0004","8.65","0.005","90","","90","","120","","411.6","0.2","295","2","295","2","","","490000","","","","","5","R 3 m :H","R 3 -2""","160","guanidinium tetrafluoroborate","guanidinium tetrafluoroborate","","- C H6 B F4 N3 -","- C H6 B F4 N3 -","- C3 H18 B3 F12 N9 -","3","0.166667","","Szafrański, Marek","Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics","CrystEngComm","2014","","","","","10.1039/c4ce00697f","","","0.71073","MoKα","","0.0256","0.0235","","","0.0621","0.0635","","","","","","1.252","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215990","7.4031","0.0004","7.4031","0.0004","8.5486","0.0005","90","","90","","120","","405.74","0.04","295","2","295","2","","","670000","","","","","5","R 3 m :H","R 3 -2""","160","guanidinium tetrafluoroborate","guanidinium tetrafluoroborate","","- C H6 B F4 N3 -","- C H6 B F4 N3 -","- C3 H18 B3 F12 N9 -","3","0.166667","","Szafrański, Marek","Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics","CrystEngComm","2014","","","","","10.1039/c4ce00697f","","","0.71073","MoKα","","0.0273","0.0269","","","0.0706","0.0707","","","","","","1.205","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215991","7.4011","0.0005","7.4011","0.0005","8.3856","0.0016","90","","90","","120","","397.79","0.08","295","2","295","2","","","780000","","","","","5","R 3 :H","R 3","146","guanidinium tetrafluoroborate","guanidinium tetrafluoroborate","","- C H6 B F4 N3 -","- C H6 B F4 N3 -","- C3 H18 B3 F12 N9 -","3","0.333333","","Szafrański, Marek","Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics","CrystEngComm","2014","","","","","10.1039/c4ce00697f","","","0.71073","MoKα","","0.0216","0.0209","","","0.0516","0.0522","","","","","","1.175","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215992","7.3983","0.001","7.3983","0.001","8.346","0.002","90","","90","","120","","395.62","0.12","295","2","295","2","","","780000","","","","","5","R 3 :H","R 3","146","guanidinium tetrafluoroborate","guanidinium tetrafluoroborate","","- C H6 B F4 N3 -","- C H6 B F4 N3 -","- C3 H18 B3 F12 N9 -","3","0.333333","","Szafrański, Marek","Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics","CrystEngComm","2014","","","","","10.1039/c4ce00697f","","","0.71073","MoKα","","0.0373","0.0362","","","0.0923","0.0949","","","","","","1.087","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215993","7.3952","0.001","7.3952","0.001","8.2763","0.0013","90","","90","","120","","391.98","0.1","295","2","295","2","","","1030000","","","","","5","R 3 :H","R 3","146","guanidinium tetrafluoroborate","guanidinium tetrafluoroborate","","- C H6 B F4 N3 -","- C H6 B F4 N3 -","- C3 H18 B3 F12 N9 -","3","0.333333","","Szafrański, Marek","Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics","CrystEngComm","2014","","","","","10.1039/c4ce00697f","","","0.71073","MoKα","","0.0454","0.0397","","","0.0815","0.0842","","","","","","1.197","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215994","7.3751","0.0006","7.3751","0.0006","8.127","0.0007","90","","90","","120","","382.82","0.06","295","2","295","2","","","1380000","","","","","5","R 3 :H","R 3","146","guanidinium tetrafluoroborate","guanidinium tetrafluoroborate","","- C H6 B F4 N3 -","- C H6 B F4 N3 -","- C3 H18 B3 F12 N9 -","3","0.333333","","Szafrański, Marek","Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics","CrystEngComm","2014","","","","","10.1039/c4ce00697f","","","0.71073","MoKα","","0.0571","0.0563","","","0.1317","0.1323","","","","","","1.312","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215995","7.3558","0.0004","7.3558","0.0004","7.989","0.002","90","","90","","120","","374.35","0.1","295","2","295","2","","","1870000","","","","","5","R 3 :H","R 3","146","guanidinium tetrafluoroborate","guanidinium tetrafluoroborate","","- C H6 B F4 N3 -","- C H6 B F4 N3 -","- C3 H18 B3 F12 N9 -","3","0.333333","","Szafrański, Marek","Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics","CrystEngComm","2014","","","","","10.1039/c4ce00697f","","","0.71073","MoKα","","0.0309","0.0307","","","0.0837","0.0841","","","","","","1.214","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215996","7.5595","0.0006","7.5595","0.0006","8.7694","0.001","90","","90","","120","","434","0.07","295","2","295","2","","","380000","","","","","5","R 3 m :H","R 3 -2""","160","guanidinium perchlorate","guanidinium perchlorate","","- C H6 Cl N3 O4 -","- C H6 Cl N3 O4 -","- C3 H18 Cl3 N9 O12 -","3","0.166667","","Szafrański, Marek","Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics","CrystEngComm","2014","","","","","10.1039/c4ce00697f","","","0.71073","MoKα","","0.0625","0.0562","","","0.1191","0.1295","","","","","","1.29","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215997","7.5534","0.0004","7.5534","0.0004","8.6935","0.0017","90","","90","","120","","429.55","0.09","295","2","295","2","","","570000","","","","","5","R 3 m :H","R 3 -2""","160","guanidinium perchlorate","guanidinium perchlorate","","- C H6 Cl N3 O4 -","- C H6 Cl N3 O4 -","- C3 H18 Cl3 N9 O12 -","3","0.166667","","Szafrański, Marek","Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics","CrystEngComm","2014","","","","","10.1039/c4ce00697f","","","0.71073","MoKα","","0.0302","0.0299","","","0.0794","0.0796","","","","","","1.308","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215998","7.531","0.0004","7.531","0.0004","8.4767","0.0018","90","","90","","120","","416.35","0.09","295","2","295","2","","","1030000","","","","","5","R 3 m :H","R 3 -2""","160","guanidinium perchlorate","guanidinium perchlorate","","- C H6 Cl N3 O4 -","- C H6 Cl N3 O4 -","- C3 H18 Cl3 N9 O12 -","3","0.166667","","Szafrański, Marek","Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics","CrystEngComm","2014","","","","","10.1039/c4ce00697f","","","0.71073","MoKα","","0.0291","0.0292","","","0.0795","0.0794","","","","","","1.32","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215999","7.5123","0.0004","7.5123","0.0004","8.3522","0.0007","90","","90","","120","","408.2","0.05","295","2","295","2","","","1350000","","","","","5","R 3 m :H","R 3 -2""","160","guanidinium perchlorate","guanidinium perchlorate","","- C H6 Cl N3 O4 -","- C H6 Cl N3 O4 -","- C3 H18 Cl3 N9 O12 -","3","0.166667","","Szafrański, Marek","Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics","CrystEngComm","2014","","","","","10.1039/c4ce00697f","","","0.71073","MoKα","","0.057","0.0563","","","0.1513","0.1526","","","","","","1.231","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7216000","7.4965","0.0003","7.4965","0.0003","8.2508","0.0006","90","","90","","120","","401.55","0.04","295","2","295","2","","","1730000","","","","","5","R 3 m :H","R 3 -2""","160","guanidinium perchlorate","guanidinium perchlorate","","- C H6 Cl N3 O4 -","- C H6 Cl N3 O4 -","- C3 H18 Cl3 N9 O12 -","3","0.166667","","Szafrański, Marek","Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics","CrystEngComm","2014","","","","","10.1039/c4ce00697f","","","0.71073","MoKα","","0.0461","0.0457","","","0.1161","0.1164","","","","","","1.256","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216001","9.4258","0.0019","10.052","0.002","15.309","0.003","97.47","0.03","105.32","0.03","103.94","0.03","1328.4","0.6","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 N2 O4 Zn -","- C32 H28 N2 O4 Zn -","- C64 H56 N4 O8 Zn2 -","2","1","","Ge, Yu; Li, Ni-Ya; Ji, Xue-Ying; Wang, Jun-Feng; Liu, Dong; Tang, Xiao-Yan","Assembly of a series of zinc coordination polymers based on 1,4-bis[2-(4-pyridyl)ethenyl]-2,3,5,6-tetramethylbenzene and 1,3-benzenedicarboxylate derivatives","CrystEngComm","2014","16","29","6621","","10.1039/c4ce00696h","","","0.71073","MoKα","","0.0438","0.0395","","","0.1114","0.1154","","","","","","1.069","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216002","9.907","0.002","10.421","0.002","16.142","0.003","81.18","0.03","75.18","0.03","81.78","0.03","1582.6","0.6","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H57 Cl2 N5 O8 Zn2 -","- C66 H57 Cl2 N5 O8 Zn2 -","- C66 H57 Cl2 N5 O8 Zn2 -","1","0.5","","Ge, Yu; Li, Ni-Ya; Ji, Xue-Ying; Wang, Jun-Feng; Liu, Dong; Tang, Xiao-Yan","Assembly of a series of zinc coordination polymers based on 1,4-bis[2-(4-pyridyl)ethenyl]-2,3,5,6-tetramethylbenzene and 1,3-benzenedicarboxylate derivatives","CrystEngComm","2014","16","29","6621","","10.1039/c4ce00696h","","","0.71073","MoKα","","0.067","0.0513","","","0.1301","0.141","","","","","","1.037","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216003","10.791","0.002","17.717","0.003","9.7094","0.0019","90","","92.49","0.03","90","","1854.5","0.6","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 N2 O6 Zn -","- C20 H15 N2 O6 Zn -","- C80 H60 N8 O24 Zn4 -","4","1","","Ge, Yu; Li, Ni-Ya; Ji, Xue-Ying; Wang, Jun-Feng; Liu, Dong; Tang, Xiao-Yan","Assembly of a series of zinc coordination polymers based on 1,4-bis[2-(4-pyridyl)ethenyl]-2,3,5,6-tetramethylbenzene and 1,3-benzenedicarboxylate derivatives","CrystEngComm","2014","16","29","6621","","10.1039/c4ce00696h","","","0.71073","MoKα","","0.0646","0.057","","","0.1657","0.1741","","","","","","1.077","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216004","16.096","0.003","7.6958","0.0015","16.148","0.003","90","","99.06","0.03","90","","1975.3","0.7","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 N2 O6 Zn -","- C20 H21 N2 O6 Zn -","- C80 H84 N8 O24 Zn4 -","4","1","","Ge, Yu; Li, Ni-Ya; Ji, Xue-Ying; Wang, Jun-Feng; Liu, Dong; Tang, Xiao-Yan","Assembly of a series of zinc coordination polymers based on 1,4-bis[2-(4-pyridyl)ethenyl]-2,3,5,6-tetramethylbenzene and 1,3-benzenedicarboxylate derivatives","CrystEngComm","2014","16","29","6621","","10.1039/c4ce00696h","","","0.71073","MoKα","","0.0915","0.0791","","","0.227","0.2498","","","","","","1.038","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216005","18.621","0.004","9.7191","0.0019","17.267","0.004","90","","98.76","0.03","90","","3088.5","1.2","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H28 N2 O7 Zn2 -","- C33 H28 N2 O7 Zn2 -","- C132 H112 N8 O28 Zn8 -","4","1","","Ge, Yu; Li, Ni-Ya; Ji, Xue-Ying; Wang, Jun-Feng; Liu, Dong; Tang, Xiao-Yan","Assembly of a series of zinc coordination polymers based on 1,4-bis[2-(4-pyridyl)ethenyl]-2,3,5,6-tetramethylbenzene and 1,3-benzenedicarboxylate derivatives","CrystEngComm","2014","16","29","6621","","10.1039/c4ce00696h","","","0.71073","MoKα","","0.1085","0.0792","","","0.21","0.2447","","","","","","0.991","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216006","22.625","0.002","14.9276","0.0013","30.645","0.002","90","","128.963","0.004","90","","8047.6","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H38 Co N4 O10 -","- C40 H38 Co N4 O10 -","- C320 H304 Co8 N32 O80 -","8","2","","Zhang, Chuanlei; Hao, Han; Shi, Zhenzhen; Zheng, Hegen","Four new metal‒organic frameworks based on a rigid linear ligand: synthesis, optical properties and structural investigation","CrystEngComm","2014","","","","","10.1039/c4ce00224e","","","0.71073","MoKα","","0.1328","0.0644","","","0.1449","0.1639","","","","","","1.011","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216007","9.474","0.0008","11.2487","0.001","16.5633","0.0015","84.093","0.001","89.422","0.001","83.414","0.002","1744.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H26 Cd N4 O6 -","- C34 H26 Cd N4 O6 -","- C68 H52 Cd2 N8 O12 -","2","1","","Zhang, Chuanlei; Hao, Han; Shi, Zhenzhen; Zheng, Hegen","Four new metal‒organic frameworks based on a rigid linear ligand: synthesis, optical properties and structural investigation","CrystEngComm","2014","","","","","10.1039/c4ce00224e","","","0.71073","MoKα","","0.0873","0.0823","","","0.2205","0.2259","","","","","","1.061","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216008","7.2985","0.0004","16.4843","0.001","34.438","0.002","90","0.001","90","0.002","90","0.002","4143.3","0.4","293","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C45 H41 N5 Ni O8 -","- C45 H41 N5 Ni O8 -","- C180 H164 N20 Ni4 O32 -","4","0.5","","Zhang, Chuanlei; Hao, Han; Shi, Zhenzhen; Zheng, Hegen","Four new metal‒organic frameworks based on a rigid linear ligand: synthesis, optical properties and structural investigation","CrystEngComm","2014","","","","","10.1039/c4ce00224e","","","0.71073","MoKα","","0.0791","0.0548","","","0.1198","0.1372","","","","","","1.045","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216009","10.8266","0.0007","12.4225","0.0007","16.902","0.001","107.581","0.001","91.947","0.001","99.378","0.001","2129.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H48 N6 Ni O10 -","- C46 H48 N6 Ni O10 -","- C92 H96 N12 Ni2 O20 -","2","1","","Zhang, Chuanlei; Hao, Han; Shi, Zhenzhen; Zheng, Hegen","Four new metal‒organic frameworks based on a rigid linear ligand: synthesis, optical properties and structural investigation","CrystEngComm","2014","","","","","10.1039/c4ce00224e","","","0.71073","MoKα","","0.0531","0.0438","","","0.1212","0.1375","","","","","","1.052","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216010","7.874","0.0013","8.367","0.0014","13.195","0.002","91.615","0.014","103.438","0.013","90.08","0.014","845.1","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H13 Cl2 N O -","- C23 H13 Cl2 N O -","- C46 H26 Cl4 N2 O2 -","2","1","","Safin, Damir A.; Bolte, Michael; Garcia, Yann","Photoreversible solid state negative photochromism of N-(3,5-dichlorosalicylidene)-1-aminopyrene","CrystEngComm","2014","","","","","10.1039/c4ce00589a","","","0.71073","MoKα","","0.0613","0.0476","","","0.1187","0.1249","","","","","","1.048","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216036","26.3136","0.0001","26.3136","0.0001","26.3136","0.0001","90","","90","","90","","18219.7","0.12","153","2","153","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","UHM-31","","","- C34 H37 Cu3 F2 O19 -","- C18 H4.02 Cu3 F1.98 O15 -","- C288 H64.32 Cu48 F31.68 O240 -","16","0.0833333","","Peikert, K.; Hoffmann, F.; Fröba, M.","Fluorine magic: one new organofluorine linker leads to three new metal‒organic frameworks","CrystEngComm","2015","17","2","353","","10.1039/C4CE00408F","","","1.54178","CuKα","","0.0668","0.0599","","","0.2127","0.2212","","","","","","1.146","","","","has coordinates,has disorder","180491","2020-10-21","18:00:00",""
"7216037","10.8304","0.0001","11.9985","0.0001","15.496","0.0002","90","","95.227","0.001","90","","2005.31","0.04","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","UHM-32","","","- C17 H21 Cu2 F N2 O9 -","- C17 H21 Cu2 F N2 O9 -","- C68 H84 Cu8 F4 N8 O36 -","4","1","","Peikert, K.; Hoffmann, F.; Fröba, M.","Fluorine magic: one new organofluorine linker leads to three new metal‒organic frameworks","CrystEngComm","2015","17","2","353","","10.1039/C4CE00408F","","","1.54178","CuKα","","0.0488","0.0461","","","0.1144","0.1168","","","","","","1.026","","","","has coordinates,has disorder","180491","2020-10-21","18:00:00",""
"7216038","11.8906","0.0001","11.6262","0.0001","14.501","0.0001","90","","91.671","0.001","90","","2003.8","0.03","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","UHM-33","","","- C17 H21 Cu F N2 O8 -","- C17 H21 Cu F N2 O8 -","- C68 H84 Cu4 F4 N8 O32 -","4","1","","Peikert, K.; Hoffmann, F.; Fröba, M.","Fluorine magic: one new organofluorine linker leads to three new metal‒organic frameworks","CrystEngComm","2015","17","2","353","","10.1039/C4CE00408F","","","1.54178","CuKα","","0.0436","0.043","","","0.1095","0.1099","","","","","","1.052","","","","has coordinates,has disorder","180491","2020-10-21","18:00:00",""
"7216039","12.6883","0.0011","37.728","0.003","29.351","0.003","90","","90.03","0.001","90","","14050","2","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C152 H114 N42 Ni4 O8 -","- C152 H114 N42 Ni4 O8 -","- C608 H456 N168 Ni16 O32 -","4","1","","Mendiratta, Shruti; Usman, Muhammad; Luo, Tzuoo-Tsair; Lee, Shang-Fan; Lin, Ying-Chih; Lu, Kuang-Lieh","Guest dependent dielectric properties of nickel(ii)-based supramolecular networks","CrystEngComm","2014","16","28","6309","","10.1039/c4ce00218k","","","0.71073","MoKα","","0.1339","0.0752","","","0.1759","0.2003","","","","","","1.037","","","","has coordinates,has disorder","180491","2020-10-21","18:00:00",""
"7216040","12.2568","0.0002","15.712","0.0003","20.7876","0.0004","90","","90","","90","","4003.25","0.13","200","2","200","2","","","","","","","","6","P n a b","-P 2bc 2n","60","","","","- C42 H34 Cl2 N12 Ni O2 -","- C42 H34 Cl2 N12 Ni O2 -","- C168 H136 Cl8 N48 Ni4 O8 -","4","0.5","","Mendiratta, Shruti; Usman, Muhammad; Luo, Tzuoo-Tsair; Lee, Shang-Fan; Lin, Ying-Chih; Lu, Kuang-Lieh","Guest dependent dielectric properties of nickel(ii)-based supramolecular networks","CrystEngComm","2014","16","28","6309","","10.1039/c4ce00218k","","","0.71073","MoKα","","0.0548","0.0422","","","0.1205","0.1306","","","","","","1.134","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216041","18.825","0.004","8.3912","0.0016","9.2901","0.0018","90","","94.064","0.003","90","","1463.8","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H18 Mn O10 P2 -","- C8 H14 Mn O10 P2 -","- C32 H56 Mn4 O40 P8 -","4","0.5","","Tang, Si-Fu; Li, Liang-Jun; Lv, Xiao-Xia; Wang, Chao; Zhao, Xue-Bo","Tuning the structure of metal phosphonates using uncoordinating methyl group: syntheses, structures and properties of a series of metal diphosphonates","CrystEngComm","2014","16","30","7043","","10.1039/C4CE00375F","","","0.71073","MoKα","","0.0385","0.0355","","","0.0941","0.0963","","","","","","1.093","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216042","6.8159","0.0018","9.734","0.003","13.799","0.004","96.523","0.004","95.78","0.004","91.06","0.004","904.5","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H26 Co O14 P2 -","- C8 H26 Co O14 P2 -","- C16 H52 Co2 O28 P4 -","2","1","","Tang, Si-Fu; Li, Liang-Jun; Lv, Xiao-Xia; Wang, Chao; Zhao, Xue-Bo","Tuning the structure of metal phosphonates using uncoordinating methyl group: syntheses, structures and properties of a series of metal diphosphonates","CrystEngComm","2014","16","30","7043","","10.1039/C4CE00375F","","","0.71073","MoKα","","0.0592","0.0456","","","0.1124","0.1208","","","","","","1.041","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216043","12.363","0.002","7.8134","0.0013","15.311","0.003","90","","93.942","0.004","90","","1475.5","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H38 Co O20 P4 -","- C16 H34 Co O20 P4 -","- C32 H68 Co2 O40 P8 -","2","0.5","","Tang, Si-Fu; Li, Liang-Jun; Lv, Xiao-Xia; Wang, Chao; Zhao, Xue-Bo","Tuning the structure of metal phosphonates using uncoordinating methyl group: syntheses, structures and properties of a series of metal diphosphonates","CrystEngComm","2014","16","30","7043","","10.1039/C4CE00375F","","","0.71073","MoKα","","0.1145","0.0592","","","0.1266","0.1552","","","","","","1.014","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216044","6.7912","0.0011","9.6878","0.0016","13.786","0.002","96.736","0.002","95.816","0.005","91.082","0.005","895.7","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H26 Ni O14 P2 -","- C8 H26 Ni O14 P2 -","- C16 H52 Ni2 O28 P4 -","2","1","","Tang, Si-Fu; Li, Liang-Jun; Lv, Xiao-Xia; Wang, Chao; Zhao, Xue-Bo","Tuning the structure of metal phosphonates using uncoordinating methyl group: syntheses, structures and properties of a series of metal diphosphonates","CrystEngComm","2014","16","30","7043","","10.1039/C4CE00375F","","","0.71073","MoKα","","0.0681","0.0444","","","0.0941","0.1016","","","","","","0.922","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216045","5.1671","0.001","6.3007","0.0012","10.029","0.003","75.102","0.005","84.496","0.01","76.61","0.003","306.72","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H14 Cu O8 P2 -","- C8 H14 Cu O8 P2 -","- C8 H14 Cu O8 P2 -","1","0.5","","Tang, Si-Fu; Li, Liang-Jun; Lv, Xiao-Xia; Wang, Chao; Zhao, Xue-Bo","Tuning the structure of metal phosphonates using uncoordinating methyl group: syntheses, structures and properties of a series of metal diphosphonates","CrystEngComm","2014","16","30","7043","","10.1039/C4CE00375F","","","0.71073","MoKα","","0.0471","0.0379","","","0.0937","0.0998","","","","","","1.072","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216046","12.3549","0.0013","7.8244","0.0008","15.3271","0.0016","90","","93.924","0.002","90","","1478.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H38 O20 P4 Zn -","- C16 H34 O20 P4 Zn -","- C32 H68 O40 P8 Zn2 -","2","0.5","","Tang, Si-Fu; Li, Liang-Jun; Lv, Xiao-Xia; Wang, Chao; Zhao, Xue-Bo","Tuning the structure of metal phosphonates using uncoordinating methyl group: syntheses, structures and properties of a series of metal diphosphonates","CrystEngComm","2014","16","30","7043","","10.1039/C4CE00375F","","","0.71073","MoKα","","0.0783","0.0454","","","0.1014","0.1153","","","","","","1.013","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216047","19.781","0.004","6.7881","0.0015","9.4449","0.0019","90","","90.463","0.003","90","","1268.2","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H14 Cd O8 P2 -","- C8 H14 Cd O8 P2 -","- C32 H56 Cd4 O32 P8 -","4","0.5","","Tang, Si-Fu; Li, Liang-Jun; Lv, Xiao-Xia; Wang, Chao; Zhao, Xue-Bo","Tuning the structure of metal phosphonates using uncoordinating methyl group: syntheses, structures and properties of a series of metal diphosphonates","CrystEngComm","2014","16","30","7043","","10.1039/C4CE00375F","","","0.71073","MoKα","","0.0365","0.0331","","","0.0824","0.0849","","","","","","1.075","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216048","7.6143","0.0012","22.461","0.004","7.7097","0.0012","90","","90","","90","","1318.5","0.4","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H14 O8 P2 Zn -","- C8 H14 O8 P2 Zn -","- C32 H56 O32 P8 Zn4 -","4","0.5","","Tang, Si-Fu; Li, Liang-Jun; Lv, Xiao-Xia; Wang, Chao; Zhao, Xue-Bo","Tuning the structure of metal phosphonates using uncoordinating methyl group: syntheses, structures and properties of a series of metal diphosphonates","CrystEngComm","2014","16","30","7043","","10.1039/C4CE00375F","","","0.71073","MoKα","","0.0367","0.0322","","","0.0925","0.0953","","","","","","1.089","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216049","5.7837","0.0003","6.0328","0.0003","12.3406","0.0006","90","","90","","90","","430.59","0.04","293.1","","293.1","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Kimura, Fumiko; Oshima, Wataru; Matsumoto, Hiroko; Uekusa, Hidehiro; Aburaya, Kazuaki; Maeyama, Masataka; Kimura, Tsunehisa","Single crystal structure analysis via magnetically oriented microcrystal arrays","CrystEngComm","2014","16","29","6630","","10.1039/c4ce00839a","","","1.54187","CuKα","","","0.0662","","","","0.1718","","","","","","1.018","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216050","5.0868","0.0003","13.0628","0.0008","10.9758","0.0007","90","","90.99","0.007","90","","729.21","0.08","296","","296","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H22 O11 -","- C12 H22 O11 -","- C24 H44 O22 -","2","1","","Kimura, Fumiko; Oshima, Wataru; Matsumoto, Hiroko; Uekusa, Hidehiro; Aburaya, Kazuaki; Maeyama, Masataka; Kimura, Tsunehisa","Single crystal structure analysis via magnetically oriented microcrystal arrays","CrystEngComm","2014","16","29","6630","","10.1039/c4ce00839a","","","1.54187","CuKα","","","0.1062","","","","0.3323","","","","","","1.143","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216051","7.5958","0.0002","19.748","0.0014","11.251","0.0003","90","","90","","90","","1687.67","0.14","296","","296","","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- C24 H18 -","- C24 H18 -","- C96 H72 -","4","1","","Kimura, Fumiko; Oshima, Wataru; Matsumoto, Hiroko; Uekusa, Hidehiro; Aburaya, Kazuaki; Maeyama, Masataka; Kimura, Tsunehisa","Single crystal structure analysis via magnetically oriented microcrystal arrays","CrystEngComm","2014","16","29","6630","","10.1039/c4ce00839a","","","1.54187","CuKα","","","0.0993","","","","0.3082","","","","","","1.031","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216052","6.7745","0.0011","6.8452","0.0016","21.531","0.004","88.152","0.016","82.974","0.012","60.518","0.009","862.2","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- B11 Ba2 H7 O22 -","- B11 Ba2 H7 O22 -","- B22 Ba4 H14 O44 -","2","1","","Deng, Ting-Ting; Gao, Yan-E; Zhang, Li-Xia; Gu, Xiang-Yu; Tian, Han-Rui; Liu, Yi; Feng, Yun-Long; Cheng, Jian-Wen","Incorporating [GaB4O11(OH)]8− clusters to construct luminescent galloborate with open-framework layers","CrystEngComm","2014","16","25","5689","","10.1039/c4ce00485j","","","0.71073","MoKα","","0.0364","0.0261","","","0.0554","0.0604","","","","","","1.025","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216053","7.108","0.0014","7.1372","0.0012","9.878","0.003","106.885","0.017","91.569","0.017","119.185","0.011","409.99","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- B4 Ba Ga H3 O10 -","- B4 Ba Ga H3 O10 -","- B8 Ba2 Ga2 H6 O20 -","2","1","","Deng, Ting-Ting; Gao, Yan-E; Zhang, Li-Xia; Gu, Xiang-Yu; Tian, Han-Rui; Liu, Yi; Feng, Yun-Long; Cheng, Jian-Wen","Incorporating [GaB4O11(OH)]8− clusters to construct luminescent galloborate with open-framework layers","CrystEngComm","2014","16","25","5689","","10.1039/c4ce00485j","","","0.71073","MoKα","","0.0479","0.0324","","","0.0651","0.0866","","","","","","1.154","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216054","5.6534","0.0002","25.5246","0.0009","12.1459","0.0003","90","","94.31","0.002","90","","1747.71","0.1","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 N3 O -","- C21 H19 N3 O -","- C84 H76 N12 O4 -","4","1","","Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia; Shardlow, Ellen J.","Polymorphs of 4′-(hex-5-ynyloxy)-2,2′:6′,2″-terpyridine: structural diversity arising from weak intermolecular interactions in the solid state","CrystEngComm","2005","7","98","599","","10.1039/b512066g","","","0.71073","MoKα","","0.0974","0.0595","","0.2981","0.0698","0.0698","","","","","","0.9646","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216055","35.6129","0.0012","5.4646","0.0002","20.5952","0.0007","90","","120.439","0.002","90","","3455.6","0.2","173","","173","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H19 N3 O -","- C21 H19 N3 O -","- C168 H152 N24 O8 -","8","1","","Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia; Shardlow, Ellen J.","Polymorphs of 4′-(hex-5-ynyloxy)-2,2′:6′,2″-terpyridine: structural diversity arising from weak intermolecular interactions in the solid state","CrystEngComm","2005","7","98","599","","10.1039/b512066g","","","0.71073","MoKα","","0.1034","0.0504","","0.0443","0.0326","0.0326","","","","","","1.2421","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216056","6.2231","0.0005","10.3057","0.0008","15.4812","0.0011","75.295","0.001","79.299","0.001","74.715","0.001","918.84","0.12","205","2","205","2","","","","","","","","5","P -1","-P 1","2","","2,2'-bi-1,6-naphthyridin-1,6,6'-ium-tetrachlorocobaltate(II) -chloride","","- C16 H13 Cl5 Co N4 -","- C16 H13 Cl5 Co N4 -","- C32 H26 Cl10 Co2 N8 -","2","1","","Dorn, Thomas; Janiak, Christoph; Abu-Shandi, Khalid","Hydrogen-bonding, π-stacking and Cl—anion‒π interactions of linear bipyridinium cations with phosphate, chloride and [CoCl4]2‒ anions","CrystEngComm","2005","7","106","633","","10.1039/b508944a","","","0.71073","MoKα","","0.032","0.0261","","","0.0657","0.0681","","","","","","1.031","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216057","19.004","0.016","12.519","0.011","19.141","0.018","90","","110.093","0.017","90","","4277","7","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4,4'-bipyridin-1,1'-ium bis(1,1'-binaphthalene-2,2'-diyl phosphate).2.5H2O","","- C50 H39 N2 O10.5 P2 -","- C50 H39 N2 O10.5 P2 -","- C200 H156 N8 O42 P8 -","4","1","","Dorn, Thomas; Janiak, Christoph; Abu-Shandi, Khalid","Hydrogen-bonding, π-stacking and Cl—anion‒π interactions of linear bipyridinium cations with phosphate, chloride and [CoCl4]2‒ anions","CrystEngComm","2005","7","106","633","","10.1039/b508944a","","","0.71073","MoKα","","0.0609","0.0374","","","0.0898","0.0981","","","","","","0.933","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216058","4.9715","0.0019","9.162","0.004","10.233","0.004","109.757","0.007","92.325","0.007","98.082","0.007","432.4","0.3","207","2","207","2","","","","","","","","5","P -1","-P 1","2","6,6'-diisoquinolin-2,2'-ium dichloride dihydrate","6,6'-diisoquinolin-2,2'-ium dichloride dihydrate","","- C18 H18 Cl2 N2 O2 -","- C18 H18 Cl2 N2 O2 -","- C18 H18 Cl2 N2 O2 -","1","0.5","","Dorn, Thomas; Janiak, Christoph; Abu-Shandi, Khalid","Hydrogen-bonding, π-stacking and Cl—anion‒π interactions of linear bipyridinium cations with phosphate, chloride and [CoCl4]2‒ anions","CrystEngComm","2005","7","106","633","","10.1039/b508944a","","","0.71073","MoK\α","","0.1561","0.0686","","","0.1079","0.1355","","","","","","0.815","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216059","4.9382","0.0006","9.1344","0.0011","10.2335","0.0012","110.667","0.002","91.904","0.002","98.093","0.002","425.88","0.09","205","2","205","2","","","","","","","","5","P -1","-P 1","2","","2,2'-bi-1,6-naphthyridin-6,6'-ium-dichloride dihydrate","","- C16 H16 Cl2 N4 O2 -","- C16 H16 Cl2 N4 O2 -","- C16 H16 Cl2 N4 O2 -","1","0.5","","Dorn, Thomas; Janiak, Christoph; Abu-Shandi, Khalid","Hydrogen-bonding, π-stacking and Cl—anion‒π interactions of linear bipyridinium cations with phosphate, chloride and [CoCl4]2‒ anions","CrystEngComm","2005","7","106","633","","10.1039/b508944a","","","0.71073","MoKα","","0.0386","0.0334","","","0.0938","0.0976","","","","","","1.076","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216060","18.9374","0.0018","9.0233","0.0009","9.4739","0.0009","90","","92.801","0.002","90","","1616.9","0.3","205","2","205","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4,4'-bipyridin-1,1'-ium bis(dihydrogenphosphate) dihydrate","","- C10 H18 N2 O10 P2 -","- C10 H18 N2 O10 P2 -","- C40 H72 N8 O40 P8 -","4","1","","Dorn, Thomas; Janiak, Christoph; Abu-Shandi, Khalid","Hydrogen-bonding, π-stacking and Cl—anion‒π interactions of linear bipyridinium cations with phosphate, chloride and [CoCl4]2‒ anions","CrystEngComm","2005","7","106","633","","10.1039/b508944a","","","0.71073","MoKα","","0.0668","0.0409","","","0.1039","0.1148","","","","","","0.941","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216061","6.45","0.002","9.401","0.004","9.965","0.004","76.674","0.005","76.909","0.005","70.19","0.005","545.9","0.4","290","2","290","2","","","","","","","see text","5","P -1","-P 1","2","","","","- C8 H14 N4 O S -","- C8 H14 N4 O S -","- C16 H28 N8 O2 S2 -","2","1","","Chopra, Deepak; Mohan, T. P.; Rao, K. Sundaraja; Row, T. N. Guru","Exploring polymorphism by solvent mediation in potentially active herbicide Metribuzin: A subtle interplay of weak intermolecular interactions","CrystEngComm","2005","7","62","374","","10.1039/b504347f","","","0.71073","MoKα","","0.0612","0.055","","","0.1639","0.1735","","","","","","0.834","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216062","14.182","0.009","9.295","0.006","8.723","0.005","90","","104.309","0.01","90","","1114.2","1.2","290","2","290","2","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H14 N4 O S -","- C8 H14 N4 O S -","- C32 H56 N16 O4 S4 -","4","1","","Chopra, Deepak; Mohan, T. P.; Rao, K. Sundaraja; Row, T. N. Guru","Exploring polymorphism by solvent mediation in potentially active herbicide Metribuzin: A subtle interplay of weak intermolecular interactions","CrystEngComm","2005","7","62","374","","10.1039/b504347f","","","0.71073","MoKa","","0.0731","0.0569","","","0.1651","0.1838","","","","","","0.817","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216063","7.7407","0.0002","5.5405","0.0001","10.4926","0.0002","90","","103.643","0.001","90","","437.303","0.016","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-Oxauracil","3-Oxauracil","","- C4 H3 N O3 -","- C4 H3 N O3 -","- C16 H12 N4 O12 -","4","1","","Copley, Royston C. B.; Deprez, Lucie S.; Lewis, Thomas C.; Price, Sarah L.","Computational prediction and X-ray determination of the crystal structures of 3-oxauracil and 5-hydroxyuracil—an informal blind test","CrystEngComm","2005","7","69","421","","10.1039/b504756k","","","1.54178","CuKα","","0.0324","0.0299","","","0.0822","0.0849","","","","","","1.067","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216064","14.4737","0.0003","6.003","0.0001","6.3626","0.0001","90","","90","","90","","552.818","0.017","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","3-Oxauracil monohydrate","3-Oxauracil monohydrate","","- C4 H5 N O4 -","- C4 H5 N O4 -","- C16 H20 N4 O16 -","4","0.5","","Copley, Royston C. B.; Deprez, Lucie S.; Lewis, Thomas C.; Price, Sarah L.","Computational prediction and X-ray determination of the crystal structures of 3-oxauracil and 5-hydroxyuracil—an informal blind test","CrystEngComm","2005","7","69","421","","10.1039/b504756k","","","1.54178","CuKα","","0.0298","0.0298","","","0.0818","0.0819","","","","","","1.083","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216065","4.6195","0.0001","7.0493","0.0001","7.3452","0.0002","88.169","0.001","81.504","0.001","86.245","0.001","235.998","0.009","150","2","150","2","","","","","","","","4","P -1","-P 1","2","5-hydroxy-2,4(1H,3H)pyrimidinedione","5-hydroxy-2,4(1H,3H)pyrimidinedione","","- C4 H4 N2 O3 -","- C4 H4 N2 O3 -","- C8 H8 N4 O6 -","2","1","","Copley, Royston C. B.; Deprez, Lucie S.; Lewis, Thomas C.; Price, Sarah L.","Computational prediction and X-ray determination of the crystal structures of 3-oxauracil and 5-hydroxyuracil—an informal blind test","CrystEngComm","2005","7","69","421","","10.1039/b504756k","","","1.54178","CuKα","","0.0463","0.0409","","","0.1193","0.1236","","","","","","1.069","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216066","13.5662","0.0007","13.5662","0.0007","20.1867","0.0011","90","","90","","120","","3217.5","0.3","293","2","293","2","","","","","","","","9","P 63","P 6c","173","","","","- C48 H44 B Cu6 F4 I5 N12 O S6 -","- C48 H42 B Cu6 F4 I5 N12 O S6 -","- C96 H84 B2 Cu12 F8 I10 N24 O2 S12 -","2","0.333333","","Peng, Rong; Wu, Tao; Li, Dan","A chiral coordination polymer containing copper(i) iodide layer composed of intersecting [CuI]n helices","CrystEngComm","2005","7","97","595","","10.1039/b511708a","","","0.70173","MoKα","","0.0375","0.0335","","","0.0915","0.1001","","","","","","1.143","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216067","13.4415","0.0011","14.8653","0.0012","18.7182","0.0016","72.018","0.001","71.597","0.001","69.434","0.001","3239.3","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H29 Cl7 N8 O0.67 Zn -","- C41.3333 H25.3333 Cl4 N8 Zn -","- C124 H76 Cl12 N24 Zn3 -","3","1.5","","Ring, David J.; Aragoni, M. Carla; Champness, Neil R.; Wilson, Claire","A coordination polymer supramolecular isomer formed from a single building block: an unexpected porphyrin ribbon constructed from zinc(tetra(4-pyridyl)porphyrin)","CrystEngComm","2005","7","103","621","","10.1039/b515083n","","","0.71073","MoKα","","0.0825","0.0519","","","0.129","0.1404","","","","","","1.028","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216068","33.072","0.011","33.072","0.011","9.285","0.004","90","","90","","120","","8795","6","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C41.33 H25.33 Cl4 N8 Zn -","- C40 H24 N8 Zn -","- C360 H216 N72 Zn9 -","9","0.5","","Ring, David J.; Aragoni, M. Carla; Champness, Neil R.; Wilson, Claire","A coordination polymer supramolecular isomer formed from a single building block: an unexpected porphyrin ribbon constructed from zinc(tetra(4-pyridyl)porphyrin)","CrystEngComm","2005","7","103","621","","10.1039/b515083n","","","0.71073","MoKα","","0.1742","0.0804","","","0.1555","0.1775","","","","","","0.912","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216069","12.144","0.0002","12.253","0.0002","13.039","0.0003","94.872","0.002","111.431","0.002","110.706","0.002","1637.53","0.07","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H36 N14 Ni3 O20 S4 -","- C10 H36 N14 Ni3 O20 S4 -","- C20 H72 N28 Ni6 O40 S8 -","2","1","","Burrows, Andrew D.; Harrington, Ross W.; Mahon, Mary F.; Teat, Simon J.","The structural influence of ligand coordination and hydrogen bonding capabilities in the crystal engineering of metal thiosemicarbazide compounds with malonate","CrystEngComm","2005","7","64","388","","10.1039/b505655a","","","0.71073","MoKα","","0.0971","0.0429","","","0.0802","0.0967","","","","","","0.983","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216070","7.139","0.0014","31.196","0.006","11.575","0.002","90","","93.865","0.01","90","","2572","0.8","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H34 N6 Ni2 O14 S2 -","- C12 H34 N6 Ni2 O14 S2 -","- C48 H136 N24 Ni8 O56 S8 -","4","1","","Burrows, Andrew D.; Harrington, Ross W.; Mahon, Mary F.; Teat, Simon J.","The structural influence of ligand coordination and hydrogen bonding capabilities in the crystal engineering of metal thiosemicarbazide compounds with malonate","CrystEngComm","2005","7","64","388","","10.1039/b505655a","","","0.6941","","","0.1067","0.0701","","","0.118","0.1262","","","","","","1.146","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216071","13.711","0.002","10.2151","0.0015","18.702","0.003","90","","96.868","0.01","90","","2600.6","0.7","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H34 N10 Ni O9 S3 -","- C12 H34 N10 Ni O9 S3 -","- C48 H136 N40 Ni4 O36 S12 -","4","1","","Burrows, Andrew D.; Harrington, Ross W.; Mahon, Mary F.; Teat, Simon J.","The structural influence of ligand coordination and hydrogen bonding capabilities in the crystal engineering of metal thiosemicarbazide compounds with malonate","CrystEngComm","2005","7","64","388","","10.1039/b505655a","","","0.6941","synchrotron","","0.0465","0.0353","","","0.0742","0.0763","","","","","","1.145","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216072","9.194","0.0005","11.037","0.0007","9.283","0.0006","90","","107.528","0.004","90","","898.25","0.1","170","2","170","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C4 H9 N3 O5 S Zn -","- C4 H9 N3 O5 S Zn -","- C16 H36 N12 O20 S4 Zn4 -","4","1","","Burrows, Andrew D.; Harrington, Ross W.; Mahon, Mary F.; Teat, Simon J.","The structural influence of ligand coordination and hydrogen bonding capabilities in the crystal engineering of metal thiosemicarbazide compounds with malonate","CrystEngComm","2005","7","64","388","","10.1039/b505655a","","","0.71073","MoKα","","0.0317","0.0299","","","0.0778","0.0796","","","","","","1.086","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216073","7.355","0.0002","12.149","0.0002","16.809","0.0004","105.745","0.0009","96.956","0.002","104.237","0.002","1372.53","0.06","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H31 N11 O11 S3 Zn2 -","- C12 H31 N11 O11 S3 Zn2 -","- C24 H62 N22 O22 S6 Zn4 -","2","1","","Burrows, Andrew D.; Harrington, Ross W.; Mahon, Mary F.; Teat, Simon J.","The structural influence of ligand coordination and hydrogen bonding capabilities in the crystal engineering of metal thiosemicarbazide compounds with malonate","CrystEngComm","2005","7","64","388","","10.1039/b505655a","","","0.7107","MoKα","","0.0506","0.0335","","","0.07","0.0764","","","","","","1.018","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216074","8.973","0.002","13.598","0.003","15.883","0.004","90","","95.179","0.004","90","","1930.1","0.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Cd N2 O6 -","- C20 H18 Cd N2 O6 -","- C80 H72 Cd4 N8 O24 -","4","1","","Li, F.; Ma, Z.; Wang, Y.-L.; Cao, R.; Bi, W.-H.; Li, X.","Exploring the synthesis of infinite helical chains with 2-carboxycinnamic acid","CrystEngComm","2005","7","92","569","","10.1039/b505920h","","","0.71073","MoKα","","0.038","0.0321","","","0.0747","0.0799","","","","","","1.008","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216075","22.723","0.005","13.317","0.003","14.967","0.003","90","","117.354","0.002","90","","4022.6","1.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H18 Cd N2 O6 -","- C22 H16 Cd N2 O6 -","- C176 H128 Cd8 N16 O48 -","8","1","","Li, F.; Ma, Z.; Wang, Y.-L.; Cao, R.; Bi, W.-H.; Li, X.","Exploring the synthesis of infinite helical chains with 2-carboxycinnamic acid","CrystEngComm","2005","7","92","569","","10.1039/b505920h","","","0.71073","MoKα","","0.0364","0.0343","","","0.0852","0.0866","","","","","","1.084","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216076","9.19","0.004","15.36","0.006","16.17","0.007","90","","99.11","0.005","90","","2253.7","1.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 Cd N2 O6 -","- C23 H24 Cd N2 O6 -","- C92 H96 Cd4 N8 O24 -","4","1","","Li, F.; Ma, Z.; Wang, Y.-L.; Cao, R.; Bi, W.-H.; Li, X.","Exploring the synthesis of infinite helical chains with 2-carboxycinnamic acid","CrystEngComm","2005","7","92","569","","10.1039/b505920h","","","0.71073","MoKα","","0.0753","0.0591","","","0.1331","0.1444","","","","","","1.095","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216077","25.995","0.005","11.6819","0.0013","16.66","0.003","90","","125.584","0.006","90","","4114.4","1.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H22 Cd N2 O8 -","- C20 H14 Cd N2 O6.5 -","- C160 H112 Cd8 N16 O52 -","8","1","","Li, F.; Ma, Z.; Wang, Y.-L.; Cao, R.; Bi, W.-H.; Li, X.","Exploring the synthesis of infinite helical chains with 2-carboxycinnamic acid","CrystEngComm","2005","7","92","569","","10.1039/b505920h","","","0.71073","MoKα","","0.0766","0.069","","","0.1666","0.1721","","","","","","1.091","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216078","36.412","0.004","36.412","0.004","36.412","0.004","90","","90","","90","","48276","9","293","2","293","2","","","","","","","","3","P n -3 n :2","-P 4a 2bc 3","222","","","","- C38 H51.12 O9.56 -","- C38 H44 O9.56083 -","- C1824 H2112 O458.92 -","48","1","","Tedesco, Consiglia; Immediata, Ivano; Gregoli, Luisa; Vitagliano, Luigi; Immirzi, Attilio; Neri, Placido","Interconnected water channels and isolated hydrophobic cavities in a calixarene-based, nanoporous supramolecular architecture","CrystEngComm","2005","7","73","449","","10.1039/b505375g","","","0.93931","synchrotron","","0.1046","0.104","","","0.3804","0.3841","","","","","","2.105","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216079","8.3237","0.0001","9.6149","0.0001","12.8717","0.0001","81.09","0.001","82.799","0.001","84.601","0.001","1006.75","0.018","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H24 N4 Ni O2 S2 -","- C18 H24 N4 Ni O2 S2 -","- C36 H48 N8 Ni2 O4 S4 -","2","1","","Hallale, Oren; Bourne, Susan A.; Koch, Klaus R.","Metallamacrocyclic complexes of Ni(ii) with 3,3,3?,3?-tetraalkyl-1,1?-aroylbis(thioureas): crystal and molecular structures of a 2 : 2 metallamacrocycle and a pyridine adduct of the analogous 3 : 3 complex","CrystEngComm","2005","7","25","161","","10.1039/b419468c","","","0.7107","MoKα","","0.0297","0.0246","","","0.0855","0.0924","","","","","","0.773","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216080","16.4822","0.0002","27.7131","0.0003","22.9061","0.0003","90","","95.793","0.001","90","","10409.5","0.2","173","2","173","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C198 H234 N36 Ni6 O12 S12 -","- C198 H234 N36 Ni6 O12 S12 -","- C396 H468 N72 Ni12 O24 S24 -","2","1","","Hallale, Oren; Bourne, Susan A.; Koch, Klaus R.","Metallamacrocyclic complexes of Ni(ii) with 3,3,3?,3?-tetraalkyl-1,1?-aroylbis(thioureas): crystal and molecular structures of a 2 : 2 metallamacrocycle and a pyridine adduct of the analogous 3 : 3 complex","CrystEngComm","2005","7","25","161","","10.1039/b419468c","","","0.7107","MoKα","","0.0869","0.0541","","","0.1188","0.1346","","","","","","1.003","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216081","9.2777","0.0011","9.9706","0.0012","13.3237","0.0016","79.104","0.002","83.541","0.002","86.798","0.002","1201.8","0.2","97","2","97","2","","","","","","","","7","P -1","-P 1","2","((Cu(mephenterpy))VO2(HO3PCH2CH2PO3))","[{Cu(mephenterpy)}VO2(HO3PCH2CH2PO3)]","","- C24 H22 Cu N3 O8 P2 V -","- C24 H22 Cu N3 O8 P2 V -","- C48 H44 Cu2 N6 O16 P4 V2 -","2","1","","Yucesan, Gundog; Yu, Min Hui; O'Connor, Charles J.; Zubieta, Jon","Structural consequences of the steric effects of the organoimine ligand in the oxovanadium‒organophosphonate/copper‒mephenterpy family of hybrid oxides (mephenterpy = 4′-(4-methyphenyl)-2,2′∶6′,2″-terpyridine)","CrystEngComm","2005","7","117","711","","10.1039/b511147a","","","0.71073","MoKα","","0.0782","0.0649","","","0.1793","0.1872","","","","","","1.074","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216082","13.4729","0.0014","14.4371","0.0015","14.7309","0.0015","76.621","0.002","65.738","0.002","77.775","0.002","2519.2","0.5","92","2","92","2","","","","","","","","7","P -1","-P 1","2","((Cu(mephenterpy))2V3O6(O3PCH2CH2PO3)(HO3PCH2CH2PO3))","","","- C48 H43 Cu2 N6 O18 P4 V3 -","- C48 H43 Cu2 N6 O18 P4 V3 -","- C96 H86 Cu4 N12 O36 P8 V6 -","2","1","","Yucesan, Gundog; Yu, Min Hui; O'Connor, Charles J.; Zubieta, Jon","Structural consequences of the steric effects of the organoimine ligand in the oxovanadium‒organophosphonate/copper‒mephenterpy family of hybrid oxides (mephenterpy = 4′-(4-methyphenyl)-2,2′∶6′,2″-terpyridine)","CrystEngComm","2005","7","117","711","","10.1039/b511147a","","","0.71073","MoKα","","0.0783","0.0663","","","0.1382","0.1453","","","","","","1.091","","","","has coordinates,has disorder","180491","2020-10-21","18:00:00",""
"7216083","8.9849","0.0011","11.2108","0.0011","13.6744","0.0019","74.024","0.002","81.549","0.002","80.035","0.001","1297","0.3","96","2","96","2","","","","","","","","7","P -1","-P 1","2","((Cu(mephenterpy))VO2(HO3PCH2CH2CH2PO3))","","","- C25 H24 Cu N3 O8 P2 V -","- C25 H24 Cu N3 O8 P2 V -","- C50 H48 Cu2 N6 O16 P4 V2 -","2","1","","Yucesan, Gundog; Yu, Min Hui; O'Connor, Charles J.; Zubieta, Jon","Structural consequences of the steric effects of the organoimine ligand in the oxovanadium‒organophosphonate/copper‒mephenterpy family of hybrid oxides (mephenterpy = 4′-(4-methyphenyl)-2,2′∶6′,2″-terpyridine)","CrystEngComm","2005","7","117","711","","10.1039/b511147a","","","0.71073","MoKα","","0.0559","0.0447","","","0.1209","0.1272","","","","","","1.05","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216084","14.6527","0.0013","25.481","0.002","13.7823","0.0012","90","","106.866","0.002","90","","4924.5","0.7","95","2","95","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","((Cu(mephenterpy))2(V2O5)2(O3PCH2CH2CH2PO3))","","","- C23.5 H20 Cu N3 O8 P V2 -","- C23.5 H20 Cu N3 O8 P V2 -","- C188 H160 Cu8 N24 O64 P8 V16 -","8","1","","Yucesan, Gundog; Yu, Min Hui; O'Connor, Charles J.; Zubieta, Jon","Structural consequences of the steric effects of the organoimine ligand in the oxovanadium‒organophosphonate/copper‒mephenterpy family of hybrid oxides (mephenterpy = 4′-(4-methyphenyl)-2,2′∶6′,2″-terpyridine)","CrystEngComm","2005","7","117","711","","10.1039/b511147a","","","0.71073","MoKα","","0.0678","0.05","","","0.1071","0.1141","","","","","","1.092","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216085","27.7564","0.0018","12.7861","0.0008","17.638","0.0012","90","","125.301","0.001","90","","5108.7","0.6","96","2","96","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","(Cu(mephenterpy)(HO3PCH2CH2CH2CH2PO3H))","","","- C26 H29 Cu N3 O7 P2 -","- C26 H29 Cu N3 O7 P2 -","- C208 H232 Cu8 N24 O56 P16 -","8","1","","Yucesan, Gundog; Yu, Min Hui; O'Connor, Charles J.; Zubieta, Jon","Structural consequences of the steric effects of the organoimine ligand in the oxovanadium‒organophosphonate/copper‒mephenterpy family of hybrid oxides (mephenterpy = 4′-(4-methyphenyl)-2,2′∶6′,2″-terpyridine)","CrystEngComm","2005","7","117","711","","10.1039/b511147a","","","0.71073","MoKα","","0.0396","0.033","","","0.0815","0.0849","","","","","","1.047","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216086","14.923","0.003","14.426","0.003","7.544","0.002","90","","91.9","0.03","90","","1623.2","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H14 N2 O5 Zn -","- C20 H14 N2 O5 Zn -","- C80 H56 N8 O20 Zn4 -","4","0.5","","Bu, Xian-He; Tong, Ming-Liang; Li, Jian-Rong; Chang, Ho-Chol; Li, Li-Jun; Kitagawa, Susumu","Formation of 3D networks by H-bonding from novel trinuclear or 1D chain complexes of zinc(ii) and cadmium(ii) with isonicotinic acid analogues and the effects of π‒π stacking","CrystEngComm","2005","7","67","411","","10.1039/b506721a","","","0.71073","MoKα","","0.0518","0.0373","","","0.0956","0.1148","","","","","","1.01","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216087","19.997","0.002","19.997","0.002","19.997","0.002","90","","90","","90","","7996.4","1.4","293","2","293","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C90 H75 N6 O19.5 Zn3 -","- C90 H72 N6 O19.5 Zn3 -","- C360 H288 N24 O78 Zn12 -","4","0.166667","","Bu, Xian-He; Tong, Ming-Liang; Li, Jian-Rong; Chang, Ho-Chol; Li, Li-Jun; Kitagawa, Susumu","Formation of 3D networks by H-bonding from novel trinuclear or 1D chain complexes of zinc(ii) and cadmium(ii) with isonicotinic acid analogues and the effects of π‒π stacking","CrystEngComm","2005","7","67","411","","10.1039/b506721a","","","0.71073","MoKα","","0.0553","0.0472","","","0.1293","0.1333","","","","","","1.095","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216088","20.342","0.0005","20.342","0.0005","20.342","0.0005","90","","90","","90","","8417.5","0.4","293","2","293","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C90 H75 Cd3 N6 O19.5 -","- C90 H72 Cd3 N6 O19.5 -","- C360 H288 Cd12 N24 O78 -","4","0.166667","","Bu, Xian-He; Tong, Ming-Liang; Li, Jian-Rong; Chang, Ho-Chol; Li, Li-Jun; Kitagawa, Susumu","Formation of 3D networks by H-bonding from novel trinuclear or 1D chain complexes of zinc(ii) and cadmium(ii) with isonicotinic acid analogues and the effects of π‒π stacking","CrystEngComm","2005","7","67","411","","10.1039/b506721a","","","0.71073","MoKα","","0.0378","0.0318","","","0.0847","0.0872","","","","","","1.171","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216089","20.6146","0.0013","20.6146","0.0013","20.6146","0.0013","90","","90","","90","","8760.4","1","293","2","293","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C96 H85 Cd3 N6 O18.5 -","- C96 H84 Cd3 N6 O18.5 -","- C384 H336 Cd12 N24 O74 -","4","0.166667","","Bu, Xian-He; Tong, Ming-Liang; Li, Jian-Rong; Chang, Ho-Chol; Li, Li-Jun; Kitagawa, Susumu","Formation of 3D networks by H-bonding from novel trinuclear or 1D chain complexes of zinc(ii) and cadmium(ii) with isonicotinic acid analogues and the effects of π‒π stacking","CrystEngComm","2005","7","67","411","","10.1039/b506721a","","","0.71073","MoKα","","0.0579","0.035","","","0.076","0.0829","","","","","","1.083","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7216090","13.4837","0.0013","13.7172","0.0013","18.9414","0.0018","90","","87.155","0.003","90","","3499.1","0.6","93","2","93","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Cu2 N5 O11 P3 V -","- C30 H23 Cu2 N5 O11 P3 V -","- C120 H92 Cu8 N20 O44 P12 V4 -","4","1","","Yucesan, Gundog; Yu, Ming Hui; Ouellette, Wayne; O'Connor, Charles J.; Zubieta, Jon","Secondary metal‒ligand cationic subunits {ML}n+ as structural determinants in the oxovanadium/phenylphosphonate/{ML}n+ system, where {ML} is a Cu2+/organonitrogen moiety","CrystEngComm","2005","7","80","480","","10.1039/b506250k","","","0.71073","MoKα","","0.0878","0.0638","","","0.1098","0.1291","","","","","","1.062","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216091","17.2481","0.0012","26.2681","0.0019","11.0818","0.0008","90","","90","","90","","5020.9","0.6","90","2","87","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C11 H9 Cu0.5 N O5 P V -","- C11 H9 Cu0.5 N O5 P V -","- C176 H144 Cu8 N16 O80 P16 V16 -","16","1","","Yucesan, Gundog; Yu, Ming Hui; Ouellette, Wayne; O'Connor, Charles J.; Zubieta, Jon","Secondary metal‒ligand cationic subunits {ML}n+ as structural determinants in the oxovanadium/phenylphosphonate/{ML}n+ system, where {ML} is a Cu2+/organonitrogen moiety","CrystEngComm","2005","7","80","480","","10.1039/b506250k","","","0.71073","MoKα","","0.0373","0.0354","","","0.0807","0.0816","","","","","","1.063","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216092","8.0833","0.0007","11.5444","0.001","10.5565","0.0009","90","","108.335","0.002","90","","935.09","0.14","87","2","87","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C16 H13 Cu N2 O8 P2 V -","- C16 H13 Cu N2 O8 P2 V -","- C32 H26 Cu2 N4 O16 P4 V2 -","2","1","","Yucesan, Gundog; Yu, Ming Hui; Ouellette, Wayne; O'Connor, Charles J.; Zubieta, Jon","Secondary metal‒ligand cationic subunits {ML}n+ as structural determinants in the oxovanadium/phenylphosphonate/{ML}n+ system, where {ML} is a Cu2+/organonitrogen moiety","CrystEngComm","2005","7","80","480","","10.1039/b506250k","","","0.71073","MoKα","","0.0316","0.0303","","","0.078","0.0788","","","","","","1.023","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216093","20.7505","0.001","45.726","0.002","6.0304","0.0003","90","","90","","90","","5721.9","0.5","101","2","101","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C11 H12 Cu2 N O8 P2 -","- C11 H12 Cu2 N O8 P2 -","- C176 H192 Cu32 N16 O128 P32 -","16","1","","Yucesan, Gundog; Yu, Ming Hui; Ouellette, Wayne; O'Connor, Charles J.; Zubieta, Jon","Secondary metal‒ligand cationic subunits {ML}n+ as structural determinants in the oxovanadium/phenylphosphonate/{ML}n+ system, where {ML} is a Cu2+/organonitrogen moiety","CrystEngComm","2005","7","80","480","","10.1039/b506250k","","","0.71073","MoKα","","0.0367","0.0339","","","0.0716","0.0727","","","","","","1.097","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216094","9.7559","0.0009","13.8997","0.0013","19.7171","0.0018","101.657","0.002","93.949","0.002","110.477","0.002","2424.6","0.4","91","2","91","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H38 Cu2 N4 O15 P4 V2 -","- C48 H36 Cu2 N4 O15 P4 V2 -","- C96 H72 Cu4 N8 O30 P8 V4 -","2","1","","Yucesan, Gundog; Yu, Ming Hui; Ouellette, Wayne; O'Connor, Charles J.; Zubieta, Jon","Secondary metal‒ligand cationic subunits {ML}n+ as structural determinants in the oxovanadium/phenylphosphonate/{ML}n+ system, where {ML} is a Cu2+/organonitrogen moiety","CrystEngComm","2005","7","80","480","","10.1039/b506250k","","","0.71073","MoKα","","0.0738","0.0659","","","0.1846","0.1885","","","","","","1.138","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216095","14.87","0.001","25.446","0.001","8.275","0.002","90","","90","","90","","3131.1","0.8","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C8 H18 Cl3 N O Pb S2 -","- C8 H18 Cl3 N O Pb S2 -","- C64 H144 Cl24 N8 O8 Pb8 S16 -","8","1","","Aragoni, M. Carla; Arca, Massimiliano; Caltagirone, Claudia; Devillanova, Francesco A.; Demartin, Francesco; Garau, Alessandra; Isaia, Francesco; Lippolis, Vito","Inorganic‒organic hybrid materials: construction of the first polymeric channelled halometallate(ii) system","CrystEngComm","2005","7","88","544","","10.1039/b507499a","","","0.71073","MoKα","","0.054","0.0366","","","0.0896","0.0926","","","","","","1.037","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216096","15.393","0.004","15.393","0.004","6.6615","0.0014","90","","90","","120","","1366.9","0.6","153","2","153","2","","","","","","","","4","P 63","P 6c","173","","","","- C30 H24 N6 O6 -","- C24 H12 N6 O3 -","- C48 H24 N12 O6 -","2","0.333333","","Süss, Heike I.; Neels, Antonia; Hulliger, J.","2,4,6-Tris(4-cyanophenoxy)-1,3,5-triazine (CNPOT): Trigonal synthons in crystal engineering","CrystEngComm","2005","7","61","370","","10.1039/b507301d","","","0.71073","MoKα","","0.1142","0.0963","","","0.259","0.2771","","","","","","1.09","","","","has coordinates,has disorder","180491","2020-10-21","18:00:00",""
"7216097","24.842","0.002","18.1089","0.0017","10.8129","0.001","90","","107.213","0.001","90","","4646.4","0.7","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H36 N10 O6 Sn -","- C52 H36 N10 O6 Sn -","- C208 H144 N40 O24 Sn4 -","4","0.5","","Kim, Hee-Joon; Jo, Hwa Jin; Kim, Jaheon; Kim, Soo-Young; Kim, Dongwoo; Kim, Kimoon","Supramolecular self-assembly of tin(iv) porphyrin channels stabilizing single-file chains of water molecules","CrystEngComm","2005","7","68","417","","10.1039/b504841a","","","0.71073","MoKα","","0.053","0.0457","","","0.1259","0.1304","","","","","","1.07","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216098","6.1272","0.0008","7.262","0.001","45.252","0.006","90","","90","","90","","2013.5","0.5","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H27 N O3 -","- C23 H27 N O3 -","- C92 H108 N4 O12 -","4","1","","Xia, Wujiong; Scheffer, John R.; Patrick, Brian O.","Making use of crystallization-induced asymmetric transformations in solid state organic photochemistry: application to the enantioselective Yang photocyclization of endo-bicyclo[2.1.1]hexyl aryl ketones","CrystEngComm","2005","7","119","728","","10.1039/b514952e","","","0.71069","MoKα","","0.0601","0.0444","","","0.1085","0.1128","","","","","","1.062","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216099","6.212","0.001","7.213","0.002","44.481","0.009","90","","90","","90","","1993.1","0.8","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H27 N O3 -","- C23 H27 N O3 -","- C92 H108 N4 O12 -","4","1","","Xia, Wujiong; Scheffer, John R.; Patrick, Brian O.","Making use of crystallization-induced asymmetric transformations in solid state organic photochemistry: application to the enantioselective Yang photocyclization of endo-bicyclo[2.1.1]hexyl aryl ketones","CrystEngComm","2005","7","119","728","","10.1039/b514952e","","","0.71069","MoKα","","0.1165","0.0843","","","0.2254","0.2437","","","","","","1.074","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216100","6.1739","0.0008","7.1907","0.0009","44.763","0.007","90","","90","","90","","1987.2","0.5","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H27 N O3 -","- C23 H27 N O3 -","- C92 H108 N4 O12 -","4","1","","Xia, Wujiong; Scheffer, John R.; Patrick, Brian O.","Making use of crystallization-induced asymmetric transformations in solid state organic photochemistry: application to the enantioselective Yang photocyclization of endo-bicyclo[2.1.1]hexyl aryl ketones","CrystEngComm","2005","7","119","728","","10.1039/b514952e","","","0.71069","MoKα","","0.126","0.1161","","","0.2475","0.2515","","","","","","1.165","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216101","9.8663","0.0009","10.7948","0.0009","12.5957","0.0009","108.446","0.007","101.895","0.007","93.506","0.007","1233.66","0.19","293","2","293","2","","","","","","","","3","P -1","-P 1","2","N,N'-Bis(2-pyridyl)-1,4-diaminobenzene phenazine 1:4 complex","N,N'-Bis(2-pyridyl)-1,4-diaminobenzene phenazine 1:4 complex","","- C64 H46 N12 -","- C64 H46 N12 -","- C64 H46 N12 -","1","0.5","","Gdaniec, Maria; Bensemann, Igor; Połoński, Tadeusz","Interplay of hydrogen bonding and aromatic ring interactions in supramolecular complexes of phenazine with N,N′-bis(2-pyridyl)aryldiamines","CrystEngComm","2005","7","71","433","","10.1039/b503023d","","","1.54178","CuKα","","0.0515","0.0391","","","0.1042","0.1119","","","","","","1.035","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7216102","7.1084","0.0005","12.7044","0.0007","20.4711","0.0012","86.329","0.005","81.084","0.005","77.767","0.005","1783.96","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","N,N'-Bis(2-pyridyl)-4,4'-oxybis(aminobenzene) phenazine 1:2 complex","N,N'-Bis(2-pyridyl)-4,4'-oxybis(aminobenzene) phenazine 1:2 complex","","- C46 H34 N8 O -","- C46 H34 N8 O -","- C92 H68 N16 O2 -","2","1","","Gdaniec, Maria; Bensemann, Igor; Połoński, Tadeusz","Interplay of hydrogen bonding and aromatic ring interactions in supramolecular complexes of phenazine with N,N′-bis(2-pyridyl)aryldiamines","CrystEngComm","2005","7","71","433","","10.1039/b503023d","","","0.71073","MoKα","","0.0738","0.055","","","0.126","0.1472","","","","","","1.108","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7216103","14.1875","0.0008","8.7245","0.0005","23.006","0.0013","90","","101.831","0.005","90","","2787.2","0.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","N,N'-Bis(2-pyridyl)-4,4'-sulphonyldianiline phenazine 1:1 complex","N,N'-Bis(2-pyridyl)-4,4'-sulphonyldianiline phenazine 1:1 complex","","- C34 H26 N6 O2 S -","- C34 H26 N6 O2 S -","- C136 H104 N24 O8 S4 -","4","1","","Gdaniec, Maria; Bensemann, Igor; Połoński, Tadeusz","Interplay of hydrogen bonding and aromatic ring interactions in supramolecular complexes of phenazine with N,N′-bis(2-pyridyl)aryldiamines","CrystEngComm","2005","7","71","433","","10.1039/b503023d","","","0.71073","MoKα","","0.0645","0.0399","","","0.0858","0.095","","","","","","0.922","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7216104","8.5174","0.0007","8.6054","0.0009","14.5408","0.0011","99.694","0.007","93.711","0.006","115.471","0.009","937.12","0.17","140","2","140","2","","","","","","","","3","P -1","-P 1","2","N,N'-Bis(2-pyridyl)-1,3-diamino-2-methylbenzene phenazine 2:1","N,N'-Bis(2-pyridyl)-1,3-diamino-2-methylbenzene phenazine 2:1","","- C23 H20 N5 -","- C23 H20 N5 -","- C46 H40 N10 -","2","1","","Gdaniec, Maria; Bensemann, Igor; Połoński, Tadeusz","Interplay of hydrogen bonding and aromatic ring interactions in supramolecular complexes of phenazine with N,N′-bis(2-pyridyl)aryldiamines","CrystEngComm","2005","7","71","433","","10.1039/b503023d","","","0.71073","MoKα","","0.0613","0.0475","","","0.1192","0.1285","","","","","","1.014","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7216105","5.336","0.0008","10.8324","0.0017","11.4215","0.0017","66.689","0.015","78.508","0.012","81.096","0.013","592.02","0.17","293","2","293","2","","","","","","","","3","P -1","-P 1","2","N,N'-Diphenyl-1,4-diaminobenzene phenazine 1:1 complex","N,N'-Diphenyl-1,4-diaminobenzene phenazine 1:1 complex","","- C30 H24 N4 -","- C30 H24 N4 -","- C30 H24 N4 -","1","0.5","","Gdaniec, Maria; Bensemann, Igor; Połoński, Tadeusz","Interplay of hydrogen bonding and aromatic ring interactions in supramolecular complexes of phenazine with N,N′-bis(2-pyridyl)aryldiamines","CrystEngComm","2005","7","71","433","","10.1039/b503023d","","","0.71073","MoKα","","0.0768","0.055","","","0.128","0.1496","","","","","","1.114","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7216106","8.4657","0.0017","9.1803","0.0018","12.904","0.003","95.69","0.03","99.32","0.03","112.12","0.03","902.6","0.4","113","2","113","2","","","","","","","","4","P -1","-P 1","2","9-(4-methoxyphenyl)-9H-xanthen-9-ol aniline clathrate","9-(4-methoxyphenyl)-9H-xanthen-9-ol aniline clathrate","","- C23 H19.5 N0.5 O3 -","- C23 H18 N0.5 O3 -","- C46 H36 N O6 -","2","1","","Jacobs, Ayesha; Nassimbeni, Luigi R.; Taljaard, Jana H.","Inclusion compounds of isomeric xanthenol hosts with aniline","CrystEngComm","2005","7","120","731","","10.1039/b515436g","","","0.71073","MoKα","","0.1033","0.049","","","0.1296","0.1509","","","","","","1.037","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216107","13.501","0.003","8.8328","0.0018","17.207","0.003","90","","99.32","0.03","90","","2024.9","0.7","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","9-(3-methoxyphenyl)-9H-xanthen-9-ol aniline clathrate","9-(3-methoxyphenyl)-9H-xanthen-9-ol aniline clathrate","","- C26 H23 N O3 -","- C26 H23 N O3 -","- C104 H92 N4 O12 -","4","1","","Jacobs, Ayesha; Nassimbeni, Luigi R.; Taljaard, Jana H.","Inclusion compounds of isomeric xanthenol hosts with aniline","CrystEngComm","2005","7","120","731","","10.1039/b515436g","","","0.71073","MoKα","","0.0485","0.0368","","","0.0908","0.0976","","","","","","1.039","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216108","26.254","0.003","11.6963","0.0012","31.383","0.005","90","","114.6","0.03","90","","8762","3","90","2","90","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","(R,S)-2,2-bis-(4-pyridinoxy)-(4,4:6,6)-bis-(2',2''-dioxybiphenyl)cyclotri- phosphazene 1,4-diiodo-2,3,5,6-tetrafluorobenzene hemi-carbontetrachloride","","- C81 H48 Cl4 F8 I4 N10 O12 P6 -","- C81 H48 Cl4 F8 I4 N10 O12 P6 -","- C324 H192 Cl16 F32 I16 N40 O48 P24 -","4","0.5","","Bertani, Roberta; Ghedini, Elena; Gleria, Mario; Liantonio, Rosalba; Marras, Giovanni; Metrangolo, Pierangelo; Meyer, Franck; Pilati, Tullio; Resnati, Giuseppe","Cyclotriphosphazene [N3P3(2,2′-dioxybiphenyl)2-(4-pyridinoxy)2] and its halogen bonded complex with 1,4-diiodotetrafluorobenzene","CrystEngComm","2005","7","83","511","","10.1039/b507263h","","","0.71073","MoKα","","0.0255","0.0205","","","0.0564","0.0571","","","","","","1.024","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216109","9.97","0.003","11.443","0.003","27.801","0.005","90","","94.14","0.03","90","","3163.4","1.4","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(R,S)-2,2-bis-(4-pyridinoxy)-(4,4:6,6)-bis-(2',2''-dioxybiphenyl)cyclotri- phosphazene","","- C34 H24 N5 O6 P3 -","- C34 H24 N5 O6 P3 -","- C136 H96 N20 O24 P12 -","4","1","","Bertani, Roberta; Ghedini, Elena; Gleria, Mario; Liantonio, Rosalba; Marras, Giovanni; Metrangolo, Pierangelo; Meyer, Franck; Pilati, Tullio; Resnati, Giuseppe","Cyclotriphosphazene [N3P3(2,2′-dioxybiphenyl)2-(4-pyridinoxy)2] and its halogen bonded complex with 1,4-diiodotetrafluorobenzene","CrystEngComm","2005","7","83","511","","10.1039/b507263h","","","0.71073","MoKα","","0.1203","0.0621","","","0.1324","0.1614","","","","","","1.009","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216110","10.3728","0.0002","6.6329","0.0001","20.0945","0.0004","90","","94.336","0.001","90","","1378.58","0.04","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(Co(H2O)6)Br2 . 2(bpdo) . 2H2O","[Co(H2O)6]Br2 . 2(bpdo) . 2H2O","","- C20 H28 Br2 Co N4 O12 -","- C20 H28 Br2.01 Co N4 O12.01 -","- C40 H56 Br4.02 Co2 N8 O24.02 -","2","0.5","","Bourne, Susan A.; Moitsheki, Lesego J.","Anion dependent structural diversity in cobalt(ii) complexes of 4,4′-bipyridine-N,N′-dioxide","CrystEngComm","2005","7","112","674","","10.1039/b510684b","","","0.71073","MoKα","","0.0505","0.0439","","","0.1116","0.1138","","","","","","1.171","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216111","6.7328","0.0002","10.2841","0.0003","10.6577","0.0003","85.2","0.001","70.023","0.001","91.103","0.001","690.21","0.03","113","2","113","2","","","","","","","","6","P -1","-P 1","2","(Co(H2O)6)Cl2 . 2(bpdo) . 2(H2O)","[Co(H2O)6]Cl2 . 2(bpdo) . 2(H2O)","","- C20 H32 Cl2 Co N4 O12 -","- C20 H16 Cl2 Co N4 O12 -","- C20 H16 Cl2 Co N4 O12 -","1","0.5","","Bourne, Susan A.; Moitsheki, Lesego J.","Anion dependent structural diversity in cobalt(ii) complexes of 4,4′-bipyridine-N,N′-dioxide","CrystEngComm","2005","7","112","674","","10.1039/b510684b","","x-ray","0.7107","MoKα","","0.1552","0.1055","","","0.2736","0.3124","","","","","","1.102","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216112","19.149","0.003","19.149","0.003","13.917","0.003","90","","90","","90","","5103.1","1.6","113","2","113","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","(CoI2(H2O)4) . 2(bpdo)","","","- C20 H24 Co I2 N4 O8 -","- C20 H24 Co I2 N4 O8 -","- C160 H192 Co8 I16 N32 O64 -","8","0.25","","Bourne, Susan A.; Moitsheki, Lesego J.","Anion dependent structural diversity in cobalt(ii) complexes of 4,4′-bipyridine-N,N′-dioxide","CrystEngComm","2005","7","112","674","","10.1039/b510684b","","x-ray","0.71073","MoKα","","0.0338","0.0186","","","0.0399","0.0441","","","","","","1.023","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216113","7.8139","0.0002","9.9126","0.0003","17.1863","0.0005","78.607","0.001","83.46","0.001","85.615","0.001","1294.47","0.06","298","2","298","2","","","","","","","","5","P -1","-P 1","2","(Co(H2O)3(bpdo)(NO3)) NO3 . bpdo . H2O","[Co(H2O)3(bpdo)(NO3)] NO3 . bpdo . H2O","","- C20 H24 Co N6 O14 -","- C20 H16 Co N6 O14 -","- C40 H32 Co2 N12 O28 -","2","1","","Bourne, Susan A.; Moitsheki, Lesego J.","Anion dependent structural diversity in cobalt(ii) complexes of 4,4′-bipyridine-N,N′-dioxide","CrystEngComm","2005","7","112","674","","10.1039/b510684b","","x-ray","0.7107","MoKα","","0.1355","0.0704","","","0.1793","0.2094","","","","","","1.013","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216114","12.129","0.002","12.907","0.003","17.896","0.004","77.49","0.03","70.25","0.03","76.28","0.03","2532.9","1.1","113","2","113","2","","","","","","","","5","P -1","-P 1","2","(Co(H2O)3(bpdo)(NO3)) NO3 . bpdo . H2O","[Co(H2O)3(bpdo)(NO3)] NO3 . bpdo . H2O","","- C20 H24 Co N6 O14 -","- C20 H23 Co N6 O14 -","- C80 H92 Co4 N24 O56 -","4","2","","Bourne, Susan A.; Moitsheki, Lesego J.","Anion dependent structural diversity in cobalt(ii) complexes of 4,4′-bipyridine-N,N′-dioxide","CrystEngComm","2005","7","112","674","","10.1039/b510684b","","x-ray","0.71073","MoKα","","0.0896","0.0412","","","0.0913","0.1085","","","","","","1.017","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216115","7.122","0.001","25.319","0.005","10.241","0.002","90","","93.14","0.03","90","","1843.9","0.6","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(Co(H2O)5(bpdo))SO4 . 2H2O","[Co(H2O)5(bpdo)]SO4 . 2H2O","","- C10 H22 Co N2 O13 S -","- C10 H22 Co N2 O13 S -","- C40 H88 Co4 N8 O52 S4 -","4","1","","Bourne, Susan A.; Moitsheki, Lesego J.","Anion dependent structural diversity in cobalt(ii) complexes of 4,4′-bipyridine-N,N′-dioxide","CrystEngComm","2005","7","112","674","","10.1039/b510684b","","x-ray","0.71073","MoKα","","0.0487","0.0369","","","0.0882","0.0932","","","","","","1.126","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216116","12.2972","0.0003","10.3781","0.0003","19.1675","0.0004","90","","103.598","0.002","90","","2377.62","0.1","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H10 Ag As F6 N2 -","- C8 H10 Ag As F6 N2 -","- C64 H80 Ag8 As8 F48 N16 -","8","1","","Pocic, David; Planeix, Jean-Marc; Kyritsakas, Nathalie; Jouaiti, Abdelaziz; Hosseini, Mir Wais","Molecular tectonics: on the role of counter-ions in the dimensionality of silver coordination networks","CrystEngComm","2005","7","104","624","","10.1039/b513138n","","","0.71073","MoKα","","0.0482","0.0306","","","0.0684","0.0733","","","","","","1.054","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216117","12.3792","0.0005","10.6135","0.0003","19.1059","0.0007","90","","101.732","0.002","90","","2457.82","0.15","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H10 Ag F6 N2 Sb -","- C8 H10 Ag F6 N2 Sb -","- C64 H80 Ag8 F48 N16 Sb8 -","8","1","","Pocic, David; Planeix, Jean-Marc; Kyritsakas, Nathalie; Jouaiti, Abdelaziz; Hosseini, Mir Wais","Molecular tectonics: on the role of counter-ions in the dimensionality of silver coordination networks","CrystEngComm","2005","7","104","624","","10.1039/b513138n","","","0.71073","MoKα","","0.0351","0.0259","","","0.0641","0.0667","","","","","","1.047","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216118","12.3034","0.0003","10.1981","0.0003","19.2165","0.0006","90","","105.077","0.001","90","","2328.12","0.12","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H10 Ag F6 N2 P -","- C8 H10 Ag F6 N2 P -","- C64 H80 Ag8 F48 N16 P8 -","8","1","","Pocic, David; Planeix, Jean-Marc; Kyritsakas, Nathalie; Jouaiti, Abdelaziz; Hosseini, Mir Wais","Molecular tectonics: on the role of counter-ions in the dimensionality of silver coordination networks","CrystEngComm","2005","7","104","624","","10.1039/b513138n","","","0.71073","MoKα","","0.0335","0.0261","","","0.0713","0.0756","","","","","","1.001","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216119","11.83","0.002","10.034","0.002","17.741","0.004","90","","90","","90","","2105.9","0.7","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H10 Ag B F4 N2 -","- C8 H10 Ag B F4 N2 -","- C64 H80 Ag8 B8 F32 N16 -","8","1","","Pocic, David; Planeix, Jean-Marc; Kyritsakas, Nathalie; Jouaiti, Abdelaziz; Hosseini, Mir Wais","Molecular tectonics: on the role of counter-ions in the dimensionality of silver coordination networks","CrystEngComm","2005","7","104","624","","10.1039/b513138n","","","0.71073","MoKα","","0.0292","0.0228","","","0.0595","0.0638","","","","","","1.02","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216120","11.8146","0.0014","9.8538","0.0011","13.4621","0.0016","90","","102.271","0.003","90","","1531.4","0.3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","triphelyn phosphite","triphelyn phosphite","","- C18 H15 O3 P -","- C18 H15 O3 P -","- C72 H60 O12 P4 -","4","1","","Golovanov, Denis G.; Lyssenko, Konstantin A.; Antipin, Mikhail Yu.; Vygodskii, Yakov S.; Lozinskaya, Elena I.; Shaplov, Alexander S.","Long-awaited polymorphic modification of triphenyl phosphite","CrystEngComm","2005","7","77","465","","10.1039/b505052a","","","0.71073","MoKα","","0.1099","0.0576","","","0.1071","0.1177","","","","","","1.058","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216121","8.362","0.002","9.211","0.003","14.892","0.004","100.999","0.019","94.355","0.017","97.503","0.017","1110.3","0.5","270","2","270","2","","","","","","","","5","P -1","-P 1","2","[Ni(bpta)(CH3COO)2(H2O)].H2O","","","- C20 H31 N3 Ni O6 -","- C20 H31 N3 Ni O6 -","- C40 H62 N6 Ni2 O12 -","2","1","","Khullar, Sadhika; Gupta, Vijay; Mandal, Sanjay K.","Tuning the formation of dicarboxylate linker-assisted supramolecular 1D chains and squares of Ni(ii) using coordination and hydrogen bonds","CrystEngComm","2014","16","25","5705","","10.1039/c4ce00434e","","","0.71073","","","0.0601","0.04","","","0.0933","0.1031","","","","","","0.974","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216122","13.9083","0.0006","17.7966","0.0007","18.4094","0.0008","90","","90","","90","","4556.7","0.3","140","2","140","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","[Ni(bpta)(H2O)2(adc)].2H2O","","","- C20 H29 N3 Ni O8 -","- C20 H29 N3 Ni O8 -","- C160 H232 N24 Ni8 O64 -","8","1","","Khullar, Sadhika; Gupta, Vijay; Mandal, Sanjay K.","Tuning the formation of dicarboxylate linker-assisted supramolecular 1D chains and squares of Ni(ii) using coordination and hydrogen bonds","CrystEngComm","2014","16","25","5705","","10.1039/c4ce00434e","","","0.71073","MoKα","","0.065","0.0374","","","0.0777","0.088","","","","","","1.013","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216123","9.1706","0.0009","14.658","0.0012","16.5447","0.0016","75.264","0.005","83.445","0.006","87.664","0.006","2136.6","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","[Ni4(bpta)4(fumarate)4(H2O)4].4H2O","","","- C80 H108 N12 Ni4 O24 -","- C80 H108 N12 Ni4 O24 -","- C80 H108 N12 Ni4 O24 -","1","0.5","","Khullar, Sadhika; Gupta, Vijay; Mandal, Sanjay K.","Tuning the formation of dicarboxylate linker-assisted supramolecular 1D chains and squares of Ni(ii) using coordination and hydrogen bonds","CrystEngComm","2014","16","25","5705","","10.1039/c4ce00434e","","","0.71073","MoKα","","0.0955","0.0452","","","0.0863","0.1123","","","","","","0.897","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216124","14.593","0.0013","9.6778","0.0007","17.2357","0.0015","90","","90","","90","","2434.2","0.4","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","[Ni(bpta)(succinate)(H2O)2].3H2O","","","- C20 H35 N3 Ni O9 -","- C20 H35 N3 Ni O9 -","- C80 H140 N12 Ni4 O36 -","4","1","","Khullar, Sadhika; Gupta, Vijay; Mandal, Sanjay K.","Tuning the formation of dicarboxylate linker-assisted supramolecular 1D chains and squares of Ni(ii) using coordination and hydrogen bonds","CrystEngComm","2014","16","25","5705","","10.1039/c4ce00434e","","","0.71073","MoKa","","0.0467","0.0354","","","0.0684","0.0734","","","","","","0.968","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216125","3.641","0.005","9.363","0.014","17.51","0.03","90","","92.5","0.02","90","","596.4","1.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","guanidinium rhodizonate","","","- C8 H12 N6 O6 -","- C8 H12 N6 O6 -","- C16 H24 N12 O12 -","2","0.5","","Abrahams, Brendan F.; Haywood, Marissa G.; Robson, Richard","An unexpected network in guanidinium rhodizonate","CrystEngComm","2005","7","105","629","","10.1039/b513300a","","","0.71073","MoKα","","0.2317","0.0986","","","0.2223","0.2572","","","","","","0.826","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216126","7.334","0.0006","7.6604","0.0006","16.1964","0.0011","90","","95.632","0.002","90","","905.54","0.12","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H8 N2 O3 S -","- C8 H8 N2 O3 S -","- C32 H32 N8 O12 S4 -","4","1","","Ho, Soo Yei; Bettens, Ryan P. A.; Dakternieks, Dainis; Duthie, Andrew; Tiekink, Edward R. T.","Prevalence of the thioamide {⋯H‒N‒CS}2 synthon—solid-state (X-ray crystallography), solution (NMR) and gas-phase (theoretical) structures of O-methyl-N-aryl-thiocarbamides","CrystEngComm","2005","7","113","682","","10.1039/b514254g","","","0.71069","MoKα","","0.064","0.049","","","0.114","0.122","","","","","","1.06","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216127","5.6059","0.0008","7.9101","0.0011","11.9617","0.0013","99.223","0.003","101.517","0.003","100.21","0.004","500.87","0.11","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H11 N O2 S -","- C10 H11 N O2 S -","- C20 H22 N2 O4 S2 -","2","1","","Ho, Soo Yei; Bettens, Ryan P. A.; Dakternieks, Dainis; Duthie, Andrew; Tiekink, Edward R. T.","Prevalence of the thioamide {⋯H‒N‒CS}2 synthon—solid-state (X-ray crystallography), solution (NMR) and gas-phase (theoretical) structures of O-methyl-N-aryl-thiocarbamides","CrystEngComm","2005","7","113","682","","10.1039/b514254g","","","0.71069","MoKα","","0.087","0.069","","","0.211","0.221","","","","","","1.17","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216128","14.5243","0.001","7.7142","0.0006","17.276","0.0012","90","","110.56","0.002","90","","1812.4","0.2","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H8 Cl N O S -","- C8 H8 Cl N O S -","- C64 H64 Cl8 N8 O8 S8 -","8","2","","Ho, Soo Yei; Bettens, Ryan P. A.; Dakternieks, Dainis; Duthie, Andrew; Tiekink, Edward R. T.","Prevalence of the thioamide {⋯H‒N‒CS}2 synthon—solid-state (X-ray crystallography), solution (NMR) and gas-phase (theoretical) structures of O-methyl-N-aryl-thiocarbamides","CrystEngComm","2005","7","113","682","","10.1039/b514254g","","","0.71069","MoKα","","0.062","0.043","","","0.112","0.121","","","","","","1.04","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216129","8.1538","0.0009","6.8174","0.0008","18.976","0.002","90","","97.586","0.003","90","","1045.6","0.2","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H11 N O3 S -","- C10 H11 N O3 S -","- C40 H44 N4 O12 S4 -","4","1","","Ho, Soo Yei; Bettens, Ryan P. A.; Dakternieks, Dainis; Duthie, Andrew; Tiekink, Edward R. T.","Prevalence of the thioamide {⋯H‒N‒CS}2 synthon—solid-state (X-ray crystallography), solution (NMR) and gas-phase (theoretical) structures of O-methyl-N-aryl-thiocarbamides","CrystEngComm","2005","7","113","682","","10.1039/b514254g","","","0.71069","MoKα","","0.073","0.047","","","0.115","0.125","","","","","","0.96","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216149","13.7425","0.0009","12.8087","0.0006","16.1475","0.0011","90","","90","","90","","2842.3","0.3","299","2","299","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H18 O -","- C17 H18 O -","- C136 H144 O8 -","8","1","","Bąkowicz, Julia; Turowska-Tyrk, Ilona","Structural transformations in crystals induced by radiation and pressure. Part 1. How pressure influences the intramolecular photochemical reactions in crystals","CrystEngComm","2014","","","","","10.1039/c4ce00320a","","","0.71073","MoKα","","0.1125","0.0611","","","0.1291","0.1531","","","","","","1.025","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216150","13.7873","0.001","12.8044","0.0007","16.1354","0.0012","90","","90","","90","","2848.5","0.3","299","2","299","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H18 O -","- C17 H17.941 O -","- C136 H143.528 O8 -","8","1","","Bąkowicz, Julia; Turowska-Tyrk, Ilona","Structural transformations in crystals induced by radiation and pressure. Part 1. How pressure influences the intramolecular photochemical reactions in crystals","CrystEngComm","2014","","","","","10.1039/c4ce00320a","","","0.71073","MoKα","","0.1463","0.0677","","","0.1395","0.1737","","","","","","1.002","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216151","13.8192","0.001","12.7869","0.0008","16.1471","0.0013","90","","90","","90","","2853.3","0.4","299","2","299","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H18 O -","- C17 H17.894 O -","- C136 H143.152 O8 -","8","1","","Bąkowicz, Julia; Turowska-Tyrk, Ilona","Structural transformations in crystals induced by radiation and pressure. Part 1. How pressure influences the intramolecular photochemical reactions in crystals","CrystEngComm","2014","","","","","10.1039/c4ce00320a","","","0.71073","MoKα","","0.163","0.0698","","","0.1307","0.1669","","","","","","1.03","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216152","13.4655","0.001","12.5668","0.0009","15.7267","0.001","90","","90","","90","","2661.2","0.3","299","2","299","2","550000","","550000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H18 O -","- C17 H18 O -","- C136 H144 O8 -","8","1","","Bąkowicz, Julia; Turowska-Tyrk, Ilona","Structural transformations in crystals induced by radiation and pressure. Part 1. How pressure influences the intramolecular photochemical reactions in crystals","CrystEngComm","2014","","","","","10.1039/c4ce00320a","","","0.71073","MoKα","","0.1237","0.0573","","","0.1189","0.1521","","","","","","1.031","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216153","13.491","0.0009","12.5526","0.0009","15.73","0.001","90","","90","","90","","2663.8","0.3","299","2","299","2","550000","","550000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H18 O -","- C17 H17.927 O -","- C136 H143.416 O8 -","8","1","","Bąkowicz, Julia; Turowska-Tyrk, Ilona","Structural transformations in crystals induced by radiation and pressure. Part 1. How pressure influences the intramolecular photochemical reactions in crystals","CrystEngComm","2014","","","","","10.1039/c4ce00320a","","","0.71073","MoKα","","0.1387","0.0684","","","0.1418","0.1779","","","","","","1.038","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216154","13.5452","0.0014","12.5231","0.0013","15.7348","0.0015","90","","90","","90","","2669.1","0.5","299","2","299","2","550000","","550000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H18 O -","- C17 H17.845 O -","- C136 H142.76 O8 -","8","1","","Bąkowicz, Julia; Turowska-Tyrk, Ilona","Structural transformations in crystals induced by radiation and pressure. Part 1. How pressure influences the intramolecular photochemical reactions in crystals","CrystEngComm","2014","","","","","10.1039/c4ce00320a","","","0.71073","MoKα","","0.1602","0.0759","","","0.1675","0.2143","","","","","","1.046","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216155","13.649","0.003","12.434","0.002","15.727","0.002","90","","90","","90","","2669.1","0.8","299","2","299","2","550000","","550000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H18 O -","- C17 H17.56 O -","- C136 H140.48 O8 -","8","1","","Bąkowicz, Julia; Turowska-Tyrk, Ilona","Structural transformations in crystals induced by radiation and pressure. Part 1. How pressure influences the intramolecular photochemical reactions in crystals","CrystEngComm","2014","","","","","10.1039/c4ce00320a","","","0.71073","MoKα","","0.2135","0.1077","","","0.2603","0.3258","","","","","","1.038","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216156","13.8701","0.0012","12.3384","0.0012","15.6455","0.0014","90","","90","","90","","2677.5","0.4","299","2","299","2","550000","","550000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H18 O -","- C17 H18 O -","- C136 H144 O8 -","8","1","","Bąkowicz, Julia; Turowska-Tyrk, Ilona","Structural transformations in crystals induced by radiation and pressure. Part 1. How pressure influences the intramolecular photochemical reactions in crystals","CrystEngComm","2014","","","","","10.1039/c4ce00320a","","","0.71073","MoKα","","0.138","0.0608","","","0.1258","0.1571","","","","","","1.059","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216157","13.2329","0.0014","12.3822","0.0013","15.3841","0.0013","90","","90","","90","","2520.7","0.4","299","2","299","2","1270000","","1270000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H18 O -","- C17 H18 O -","- C136 H144 O8 -","8","1","","Bąkowicz, Julia; Turowska-Tyrk, Ilona","Structural transformations in crystals induced by radiation and pressure. Part 1. How pressure influences the intramolecular photochemical reactions in crystals","CrystEngComm","2014","","","","","10.1039/c4ce00320a","","","0.71073","MoKα","","0.1158","0.06","","","0.1064","0.1289","","","","","","1.088","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216158","13.2786","0.0013","12.3373","0.0013","15.3991","0.0013","90","","90","","90","","2522.7","0.4","299","2","299","2","1270000","","1270000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H18 O -","- C17 H17.922 O -","- C136 H143.376 O8 -","8","1","","Bąkowicz, Julia; Turowska-Tyrk, Ilona","Structural transformations in crystals induced by radiation and pressure. Part 1. How pressure influences the intramolecular photochemical reactions in crystals","CrystEngComm","2014","","","","","10.1039/c4ce00320a","","","0.71073","MoKα","","0.1306","0.0682","","","0.1336","0.161","","","","","","1.054","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216159","13.3379","0.0016","12.2853","0.0017","15.4065","0.0016","90","","90","","90","","2524.5","0.5","299","2","299","2","1270000","","1270000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H18 O -","- C17 H17.795 O -","- C136 H142.36 O8 -","8","1","","Bąkowicz, Julia; Turowska-Tyrk, Ilona","Structural transformations in crystals induced by radiation and pressure. Part 1. How pressure influences the intramolecular photochemical reactions in crystals","CrystEngComm","2014","","","","","10.1039/c4ce00320a","","","0.71073","MoKα","","0.1706","0.0879","","","0.1843","0.2351","","","","","","1.043","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216160","13.433","0.003","12.206","0.003","15.429","0.002","90","","90","","90","","2529.8","0.9","299","2","299","2","1270000","","1270000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H18 O -","- C17 H17.481 O -","- C136 H139.848 O8 -","8","1","","Bąkowicz, Julia; Turowska-Tyrk, Ilona","Structural transformations in crystals induced by radiation and pressure. Part 1. How pressure influences the intramolecular photochemical reactions in crystals","CrystEngComm","2014","","","","","10.1039/c4ce00320a","","","0.71073","MoKα","","0.2529","0.1416","","","0.345","0.4121","","","","","","1.055","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216161","13.661","0.0013","12.0155","0.0014","15.4219","0.0014","90","","90","","90","","2531.4","0.4","299","2","299","2","1270000","","1270000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H18 O -","- C17 H18 O -","- C136 H144 O8 -","8","1","","Bąkowicz, Julia; Turowska-Tyrk, Ilona","Structural transformations in crystals induced by radiation and pressure. Part 1. How pressure influences the intramolecular photochemical reactions in crystals","CrystEngComm","2014","","","","","10.1039/c4ce00320a","","","0.71073","MoKα","","0.1294","0.0569","","","0.0928","0.1147","","","","","","1.107","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216162","13.17","0.002","12.292","0.002","15.2402","0.0013","90","","90","","90","","2467.2","0.6","299","2","299","2","1500000","","1500000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H18 O -","- C17 H18 O -","- C136 H144 O8 -","8","1","","Bąkowicz, Julia; Turowska-Tyrk, Ilona","Structural transformations in crystals induced by radiation and pressure. Part 1. How pressure influences the intramolecular photochemical reactions in crystals","CrystEngComm","2014","","","","","10.1039/c4ce00320a","","","0.71073","MoKα","","0.1464","0.0747","","","0.1669","0.2062","","","","","","1.073","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216163","13.243","0.002","12.235","0.003","15.2564","0.0015","90","","90","","90","","2472","0.8","299","2","299","2","1500000","","1500000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H18 O -","- C17 H17.888 O -","- C136 H143.104 O8 -","8","1","","Bąkowicz, Julia; Turowska-Tyrk, Ilona","Structural transformations in crystals induced by radiation and pressure. Part 1. How pressure influences the intramolecular photochemical reactions in crystals","CrystEngComm","2014","","","","","10.1039/c4ce00320a","","","0.71073","MoKα","","0.1616","0.0789","","","0.1818","0.2276","","","","","","1.059","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216164","13.288","0.003","12.199","0.003","15.287","0.0017","90","","90","","90","","2478","0.9","299","2","299","2","1500000","","1500000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H18 O -","- C17 H17.762 O -","- C136 H142.096 O8 -","8","1","","Bąkowicz, Julia; Turowska-Tyrk, Ilona","Structural transformations in crystals induced by radiation and pressure. Part 1. How pressure influences the intramolecular photochemical reactions in crystals","CrystEngComm","2014","","","","","10.1039/c4ce00320a","","","0.71073","MoKα","","0.1992","0.0916","","","0.2002","0.2622","","","","","","1.041","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216165","10.33","0.001","20.786","0.001","12.908","0.001","90","","100.697","0.001","90","","2723.4","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H19 N4 O6 Tb -","- C31 H19 N4 O6 Tb -","- C124 H76 N16 O24 Tb4 -","4","1","","Jia, Li; Hui, Yan-Chun; Li, Zongsheng; Sun, Hao-Ling; Wang, Zhenqiang","Luminescent lanthanide-2-phenylpyrimidine-carboxylate frameworks: structure and luminescence tuning","CrystEngComm","2014","16","28","6483","","10.1039/c4ce00360h","","","0.71073","MoKα","","0.0335","0.0255","","","0.0608","0.0639","","","","","","1.051","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216166","8.942","0.001","10.033","0.001","12.792","0.001","79.834","0.001","79.463","0.001","86.005","0.001","1109.74","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H15 Eu N4 O6.5 -","- C25 H14 Eu N4 O6.5 -","- C50 H28 Eu2 N8 O13 -","2","1","","Jia, Li; Hui, Yan-Chun; Li, Zongsheng; Sun, Hao-Ling; Wang, Zhenqiang","Luminescent lanthanide-2-phenylpyrimidine-carboxylate frameworks: structure and luminescence tuning","CrystEngComm","2014","16","28","6483","","10.1039/c4ce00360h","","","0.71073","MoKα","","0.0318","0.0283","","","0.0711","0.0764","","","","","","1.06","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216167","7.626","0.001","13.117","0.001","16.103","0.001","99.972","0.001","99.69","0.001","98.667","0.001","1536.8","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H24 N6 O7 Tb -","- C35 H24 N6 O7 Tb -","- C70 H48 N12 O14 Tb2 -","2","1","","Jia, Li; Hui, Yan-Chun; Li, Zongsheng; Sun, Hao-Ling; Wang, Zhenqiang","Luminescent lanthanide-2-phenylpyrimidine-carboxylate frameworks: structure and luminescence tuning","CrystEngComm","2014","16","28","6483","","10.1039/c4ce00360h","","","0.71073","MoKα","","0.036","0.0322","","","0.0841","0.0924","","","","","","1.075","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216168","7.666","0.001","13.178","0.001","16.123","0.001","100.232","0.001","99.576","0.001","98.785","0.001","1552.4","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H24 Eu N6 O7 -","- C35 H24 Eu N6 O7 -","- C70 H48 Eu2 N12 O14 -","2","1","","Jia, Li; Hui, Yan-Chun; Li, Zongsheng; Sun, Hao-Ling; Wang, Zhenqiang","Luminescent lanthanide-2-phenylpyrimidine-carboxylate frameworks: structure and luminescence tuning","CrystEngComm","2014","16","28","6483","","10.1039/c4ce00360h","","","0.71073","MoKα","","0.0362","0.0311","","","0.0828","0.091","","","","","","1.041","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216169","10.09","0.001","14.133","0.001","15.143","0.001","70.273","0.001","71.654","0.001","76.327","0.001","1908.8","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H29 N8 O6 Tb -","- C45 H29 N8 O6 Tb -","- C90 H58 N16 O12 Tb2 -","2","1","","Jia, Li; Hui, Yan-Chun; Li, Zongsheng; Sun, Hao-Ling; Wang, Zhenqiang","Luminescent lanthanide-2-phenylpyrimidine-carboxylate frameworks: structure and luminescence tuning","CrystEngComm","2014","16","28","6483","","10.1039/c4ce00360h","","","0.71073","MoKα","","0.0445","0.035","","","0.087","0.1008","","","","","","1.04","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216170","10.066","0.005","14.037","0.008","15.093","0.008","70.602","0.008","71.933","0.007","76.487","0.008","1891.9","1.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H29 Eu N8 O6 -","- C45 H29 Eu N8 O6 -","- C90 H58 Eu2 N16 O12 -","2","1","","Jia, Li; Hui, Yan-Chun; Li, Zongsheng; Sun, Hao-Ling; Wang, Zhenqiang","Luminescent lanthanide-2-phenylpyrimidine-carboxylate frameworks: structure and luminescence tuning","CrystEngComm","2014","16","28","6483","","10.1039/c4ce00360h","","","0.71073","MoKα","","0.0613","0.0473","","","0.1321","0.1484","","","","","","1.089","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216171","9.3854","0.0005","14.0773","0.0006","14.0972","0.0006","65.54","0.002","70.737","0.002","79.985","0.002","1598.95","0.13","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C60 H76 N4 O18 S4 -","- C60 H76 N4 O18 S4 -","- C60 H76 N4 O18 S4 -","1","1","","Harrowfield, Jack M.; Hirsch, Anna Katharina Herta; sirlin, claude; Lehn, Jean-Marie","A Doubly Hermaphroditic Chiral Crown Ether","CrystEngComm","2014","","","","","10.1039/c4ce00879k","","","0.71073","MoKα","","0.1041","0.072","","","0.168","0.1977","","","","","","1.08","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216172","12.889","0.002","14.4316","0.0018","13.6143","0.0019","90","","105.888","0.01","90","","2435.6","0.6","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C20 H22 N2 Na2 O8 Pd -","- C20 H22 N2 Na2 O8 Pd -","- C80 H88 N8 Na8 O32 Pd4 -","4","0.5","","Fortea-Pérez, Francisco R.; Marino, Nadia; Armentano, Donatella; De Munno, Giovanni; Julve, Miguel; Stiriba, Salah-Eddine","Solid-state cis‒trans isomerism in bis(oxamato)palladate(ii) complexes: synthesis, structural studies and catalytic activity","CrystEngComm","2014","16","30","6971","","10.1039/C4CE00669K","","","0.71073","MoKα","","0.0189","0.0164","","","0.0537","0.0697","","","","","","1.332","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216173","16.317","0.002","25.271","0.002","13.9855","0.0014","90","","124.893","0.006","90","","4730.1","0.9","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C40 H42 K4 N4 O15 Pd2 -","- C40 H42 K4 N4 O15 Pd2 -","- C160 H168 K16 N16 O60 Pd8 -","4","1","","Fortea-Pérez, Francisco R.; Marino, Nadia; Armentano, Donatella; De Munno, Giovanni; Julve, Miguel; Stiriba, Salah-Eddine","Solid-state cis‒trans isomerism in bis(oxamato)palladate(ii) complexes: synthesis, structural studies and catalytic activity","CrystEngComm","2014","16","30","6971","","10.1039/C4CE00669K","","","0.71073","MoKα","","0.0203","0.0199","","","0.049","0.0493","","","","","","1.046","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216174","16.4305","0.001","25.181","0.0019","14.1936","0.0007","90","","124.878","0.002","90","","4817.6","0.5","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C40 H42 N4 O15 Pd2 Rb4 -","- C40 H36 N4 O15 Pd2 Rb4 -","- C160 H144 N16 O60 Pd8 Rb16 -","4","1","","Fortea-Pérez, Francisco R.; Marino, Nadia; Armentano, Donatella; De Munno, Giovanni; Julve, Miguel; Stiriba, Salah-Eddine","Solid-state cis‒trans isomerism in bis(oxamato)palladate(ii) complexes: synthesis, structural studies and catalytic activity","CrystEngComm","2014","16","30","6971","","10.1039/C4CE00669K","","","0.71073","MoKα","","0.0647","0.0628","","","0.1924","0.1973","","","","","","1.063","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216175","24.874","0.005","24.355","0.005","26.539","0.005","90","","90","","90","","16077","6","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C60 H74 Cs6 N6 O28 Pd3 -","- C60 H54 Cs6 N6 O28 Pd3 -","- C480 H432 Cs48 N48 O224 Pd24 -","8","1","","Fortea-Pérez, Francisco R.; Marino, Nadia; Armentano, Donatella; De Munno, Giovanni; Julve, Miguel; Stiriba, Salah-Eddine","Solid-state cis‒trans isomerism in bis(oxamato)palladate(ii) complexes: synthesis, structural studies and catalytic activity","CrystEngComm","2014","16","30","6971","","10.1039/C4CE00669K","","","0.71073","MoKα","","0.1011","0.0681","","","0.2282","0.2592","","","","","","1.075","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216176","16.4083","0.0006","22.4457","0.0012","13.474","0.0004","90","","124.48","0.001","90","","4090.6","0.3","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C20 H20 N2 Na2 O7 Pd -","- C20 H18 N2 Na2 O7 Pd -","- C160 H144 N16 Na16 O56 Pd8 -","8","2","","Fortea-Pérez, Francisco R.; Marino, Nadia; Armentano, Donatella; De Munno, Giovanni; Julve, Miguel; Stiriba, Salah-Eddine","Solid-state cis–trans isomerism in bis(oxamato)palladate(ii) complexes: synthesis, structural studies and catalytic activity","CrystEngComm","2014","16","30","6971","","10.1039/C4CE00669K","","","0.71073","MoKα","","0.0294","0.0286","","","0.0747","0.0812","","","","","","1.08","","","","has coordinates","287753","2023-11-23","09:34:45",""
"7216177","7.7195","0.0005","8.2128","0.0005","26.4533","0.0017","90","","90","","90","","1677.11","0.18","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 N2 O8 -","- C14 H20 N2 O8 -","- C56 H80 N8 O32 -","4","1","","Karmakar, Anirban; Oliver, Clive L.; Platero-Prats, Ana E.; Laurila, Elina; Öhrström, Lars","Crystal structures and hydrogen bond analysis of five amino acid conjugates of terephthalic and benzene-1,2,3-tricarboxylic acids","CrystEngComm","2014","16","35","8243","","10.1039/C4CE00605D","","","0.71073","MoKα","","0.1123","0.0678","","","0.1084","0.121","","","","","","1.084","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216178","6.9544","0.0005","11.7552","0.0008","26.8723","0.0019","90","","90","","90","","2196.8","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 N2 O7 -","- C20 H30 N2 O7 -","- C80 H120 N8 O28 -","4","1","","Karmakar, Anirban; Oliver, Clive L.; Platero-Prats, Ana E.; Laurila, Elina; Öhrström, Lars","Crystal structures and hydrogen bond analysis of five amino acid conjugates of terephthalic and benzene-1,2,3-tricarboxylic acids","CrystEngComm","2014","16","35","8243","","10.1039/C4CE00605D","","","0.71073","MoKα","","0.1196","0.0615","","","0.1383","0.1635","","","","","","1.016","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216179","12.374","0.003","7.6754","0.0015","12.714","0.003","90","","107.15","0.03","90","","1153.8","0.5","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H32 N2 O8 -","- C20 H32 N2 O8 -","- C40 H64 N4 O16 -","2","1","","Karmakar, Anirban; Oliver, Clive L.; Platero-Prats, Ana E.; Laurila, Elina; Öhrström, Lars","Crystal structures and hydrogen bond analysis of five amino acid conjugates of terephthalic and benzene-1,2,3-tricarboxylic acids","CrystEngComm","2014","16","35","8243","","10.1039/C4CE00605D","","","0.71073","MoKα","","0.0761","0.0489","","","0.1206","0.1456","","","","","","1.217","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216180","10.5665","0.001","7.6596","0.0007","12.8714","0.0011","90","","106.949","0.002","90","","996.5","0.16","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H28 N2 O8 -","- C18 H28 N2 O8 -","- C36 H56 N4 O16 -","2","1","","Karmakar, Anirban; Oliver, Clive L.; Platero-Prats, Ana E.; Laurila, Elina; Öhrström, Lars","Crystal structures and hydrogen bond analysis of five amino acid conjugates of terephthalic and benzene-1,2,3-tricarboxylic acids","CrystEngComm","2014","16","35","8243","","10.1039/C4CE00605D","","","0.71073","MoKα","","0.1041","0.0816","","","0.2045","0.2254","","","","","","1.027","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216181","18.3488","0.0005","18.3488","0.0005","11.1379","0.0006","90","","90","","120","","3247.5","0.2","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C18 H21.57 N3 O9.28 -","- C18 H21 N3 O9 -","- C108 H126 N18 O54 -","6","0.333333","","Karmakar, Anirban; Oliver, Clive L.; Platero-Prats, Ana E.; Laurila, Elina; Öhrström, Lars","Crystal structures and hydrogen bond analysis of five amino acid conjugates of terephthalic and benzene-1,2,3-tricarboxylic acids","CrystEngComm","2014","16","35","8243","","10.1039/C4CE00605D","","","0.71073","MoKα","","0.093","0.0889","","","0.2394","0.2413","","","","","","1.25","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216182","24.552","0.005","17.135","0.003","19.302","0.004","90","","111.1","0.03","90","","7576","3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C9 H66 Ge2 K2 Mo16 N6 O71 -","- C9 H33 Ge2 K Mo16 N6 O71 -","- C36 H132 Ge8 K4 Mo64 N24 O284 -","4","0.5","","Gao, Yan-Qing; Zhang, Zhi-Ming; Shen, Jian-Qiang; Jia, Yue; Liu, Zhu-Jun; Wang, En-Bo","Self-assembly and thermotropic liquid crystal properties of a hexavacant germanomolybdate: [Ge2Mo16O58]12−","CrystEngComm","2014","16","29","6784","","10.1039/c4ce00536h","","","0.71073","MoKα","","0.0646","0.0464","","","0.1322","0.144","","","","","","0.983","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216183","21.051","0.004","15.483","0.003","13.472","0.003","90","","103.62","0.03","90","","4267.5","1.6","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- Ge2 H60 Mo16 Na12 O88 -","- Ge2 Mo16 Na12 O88 -","- Ge4 Mo32 Na24 O176 -","2","0.25","","Gao, Yan-Qing; Zhang, Zhi-Ming; Shen, Jian-Qiang; Jia, Yue; Liu, Zhu-Jun; Wang, En-Bo","Self-assembly and thermotropic liquid crystal properties of a hexavacant germanomolybdate: [Ge2Mo16O58]12−","CrystEngComm","2014","16","29","6784","","10.1039/c4ce00536h","","","0.71073","MoKα","","0.0453","0.0399","","","0.1212","0.1237","","","","","","1.091","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216186","20.2438","0.0003","14.308","0.0002","19.1313","0.0003","90","","105.688","0.001","90","","5334.92","0.14","100","2","100","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H24 Cl2 O4 S -","- C32 H24 Cl2 O4 S -","- C256 H192 Cl16 O32 S8 -","8","1","","Ballie, Laura; Farrugia, Louis J.; MacNicol, David D.; MacSween, Ross","2,7-di-p-Chlorobenzoylnaphtho[2?3?-4 : 5]thiepin: a conformationally flexible new host molecule showing solvatochromic effects","CrystEngComm","2004","6","58","326","","10.1039/b414315a","","x-ray","0.71073","MoKα","","0.0385","0.0321","","","0.0802","0.083","","","","","","1.025","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216187","33.3796","0.001","10.1112","0.0002","14.2492","0.0004","90","","91.117","0.001","90","","4808.3","0.2","150","2","150","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H19 Cl2 O2 S -","- C31 H19 Cl2 O2 S -","- C248 H152 Cl16 O16 S8 -","8","1","","Ballie, Laura; Farrugia, Louis J.; MacNicol, David D.; MacSween, Ross","2,7-di-p-Chlorobenzoylnaphtho[2?3?-4 : 5]thiepin: a conformationally flexible new host molecule showing solvatochromic effects","CrystEngComm","2004","6","58","326","","10.1039/b414315a","","x-ray","0.71073","MoKα","","0.0492","0.0357","","","0.0819","0.0866","","","","","","1.022","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216188","13.991","0.0013","10.2442","0.0008","15.5461","0.0013","90","","99.564","0.003","90","","2197.2","0.3","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","","","- C28 H16 Cl2 O2 S -","- C28 H16 Cl2 O2 S -","- C112 H64 Cl8 O8 S4 -","4","1","","Ballie, Laura; Farrugia, Louis J.; MacNicol, David D.; MacSween, Ross","2,7-di-p-Chlorobenzoylnaphtho[2?3?-4 : 5]thiepin: a conformationally flexible new host molecule showing solvatochromic effects","CrystEngComm","2004","6","58","326","","10.1039/b414315a","","x-ray","0.71073","MoKα","","0.0548","0.0383","","","0.1025","0.1099","","","","","","1.111","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216189","6.622","0.0001","7.7322","0.0002","9.8897","0.0004","80.5127","0.001","88.4579","0.0011","70.5583","0.0018","470.76","0.02","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H10 Cd2 N16 -","- C12 H10 Cd2 N16 -","- C12 H10 Cd2 N16 -","1","0.5","","Yue, Yan-Feng; Gao, En-Qing; Bai, Shi-Qiang; He, Zheng; Yan, Chun-Hua","High-dimensional azido-bridged cadmium(ii) polymeric complexes with bis(bidentate) diazine ligands","CrystEngComm","2004","6","89","549","","10.1039/b415732j","","","0.71073","MoKα","","0.0344","0.0287","","","0.064","0.0653","","","","","","1.038","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216190","10.7543","0.0001","15.5103","0.0002","22.9109","0.0004","90","","90","","90","","3821.59","0.09","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C26 H28 Cd2 Cl2 N16 O9 -","- C26 H26 Cd2 Cl2 N16 O9 -","- C104 H104 Cd8 Cl8 N64 O36 -","4","1","","Yue, Yan-Feng; Gao, En-Qing; Bai, Shi-Qiang; He, Zheng; Yan, Chun-Hua","High-dimensional azido-bridged cadmium(ii) polymeric complexes with bis(bidentate) diazine ligands","CrystEngComm","2004","6","89","549","","10.1039/b415732j","","","0.71073","MoKα","","0.0905","0.0441","","","0.109","0.1221","","","","","","0.95","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216191","13.3175","0.0003","12.4223","0.0004","13.3087","0.0003","90","","118.383","0.0016","90","","1937.04","0.09","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H11 Cd2 N17 -","- C12 H10 Cd2 N17 -","- C48 H40 Cd8 N68 -","4","0.5","","Yue, Yan-Feng; Gao, En-Qing; Bai, Shi-Qiang; He, Zheng; Yan, Chun-Hua","High-dimensional azido-bridged cadmium(ii) polymeric complexes with bis(bidentate) diazine ligands","CrystEngComm","2004","6","89","549","","10.1039/b415732j","","","0.71073","MoKα","","0.0465","0.0243","","","0.053","0.057","","","","","","0.914","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216192","12.9875","0.0003","12.8242","0.0003","13.6191","0.0003","90","","116.947","0.0016","90","","2022.04","0.09","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 Cd2 N18 -","- C12 H7 Cd2 N18 -","- C48 H28 Cd8 N72 -","4","0.5","","Yue, Yan-Feng; Gao, En-Qing; Bai, Shi-Qiang; He, Zheng; Yan, Chun-Hua","High-dimensional azido-bridged cadmium(ii) polymeric complexes with bis(bidentate) diazine ligands","CrystEngComm","2004","6","89","549","","10.1039/b415732j","","","0.71073","MoKα","","0.061","0.0377","","","0.0794","0.0828","","","","","","1.281","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216193","12.733","0.003","12.911","0.003","13.92","0.003","90","","115.79","0.03","90","","2060.5","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Cd2 N16 -","- C14 H14 Cd2 N16 -","- C56 H56 Cd8 N64 -","4","1","","Yue, Yan-Feng; Gao, En-Qing; Bai, Shi-Qiang; He, Zheng; Yan, Chun-Hua","High-dimensional azido-bridged cadmium(ii) polymeric complexes with bis(bidentate) diazine ligands","CrystEngComm","2004","6","89","549","","10.1039/b415732j","","","0.71073","MoKα","","0.0685","0.0331","","","0.0605","0.0657","","","","","","0.86","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216194","11.766","0.003","24.48","0.005","14.315","0.004","90","","100.78","0.03","90","","4050.4","1.8","293","2","293","2","","","","","","","synthesis as described","6","P 1 21/a 1","-P 2yab","14","","","","- C38 H40 Cl4 Cu2 N6 O7 -","- C38 H40 Cl4 Cu2 N6 O7 -","- C152 H160 Cl16 Cu8 N24 O28 -","4","1","","Mukhopadhyay, Uday; Choquesillo-Lazarte, Duane; Niclós-Gutiérrez, Juan; Bernal, Ivan","A critical look on the nature of the intra-molecular interligand π,π-stacking interaction in mixed-ligand copper(II) complexes of aromatic side-chain amino acidates and α,α'-diimines","CrystEngComm","2004","6","102","627","632","10.1039/b417707j","","x-ray","0.71073","MoKα","","0.1322","0.0499","","","0.093","0.1188","","","","","","1.007","","","","has coordinates","275109","2022-05-06","15:20:05",""
"7216195","5.688","0.002","7.57","0.002","21.55","0.004","85.59","0.02","84.57","0.03","79.43","0.02","906.4","0.4","293","2","293","2","","","","","","","synthesis as described","6","P 1","P 1","1","","","","- C18 H18 Cl Cu N3 O4 -","- C18 H18 Cl Cu N3 O4 -","- C36 H36 Cl2 Cu2 N6 O8 -","2","2","","Mukhopadhyay, Uday; Choquesillo-Lazarte, Duane; Niclós-Gutiérrez, Juan; Bernal, Ivan","A critical look on the nature of the intra-molecular interligand π,π-stacking interaction in mixed-ligand copper(II) complexes of aromatic side-chain amino acidates and α,α'-diimines","CrystEngComm","2004","6","102","627","632","10.1039/b417707j","","x-ray","0.71073","MoKα","","0.0161","0.0147","","","0.0374","0.0383","","","","","","1.085","","","","has coordinates","275109","2022-05-06","15:20:06",""
"7216196","10.1044","0.0005","18.7022","0.0008","26.5462","0.0012","90","","98.448","0.002","90","","4962.1","0.4","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H52 Cl2 Hg2 N8 O12 -","- C36 H52 Cl2 Hg2 N8 O12 -","- C144 H208 Cl8 Hg8 N32 O48 -","4","0.5","","Pati, Anita; Athilakshmi, Jeyaraman; Ramkumar, Venkatachalam; Chand, Dillip Kumar","A two-dimensional polydodecameric water‒chloride cluster enfolding (Hg‒Cl‒Hg)+concealed cascade cryptate","CrystEngComm","2014","16","30","6827","","10.1039/C4CE00802B","","","0.71073","MoKα","","0.0509","0.0407","","","0.1012","0.1059","","","","","","1.098","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216197","16.052","0.009","21.298","0.012","8.932","0.005","90","","99.1","0.02","90","","3015","3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H76 Cl3 Hg2 N8 O2 -","- C54 H76 Cl3 Hg2 N8 O2 -","- C108 H152 Cl6 Hg4 N16 O4 -","2","0.5","","Pati, Anita; Athilakshmi, Jeyaraman; Ramkumar, Venkatachalam; Chand, Dillip Kumar","A two-dimensional polydodecameric water‒chloride cluster enfolding (Hg‒Cl‒Hg)+concealed cascade cryptate","CrystEngComm","2014","16","30","6827","","10.1039/C4CE00802B","","","0.71073","MoKα","","0.1549","0.0871","","","0.2432","0.3047","","","","","","1.025","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216198","7.019","0.003","28.604","0.003","5.964","0.003","90","","91.808","0.008","90","","1196.8","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H10 Cu N2 O4 -","- C13 H10 Cu N2 O4 -","- C52 H40 Cu4 N8 O16 -","4","1","","Pasán, Jorge; Sanchiz, Joaquín; Fabelo, Óscar; Cañadillas-Delgado, Laura; Déniz, Mariadel; Díaz-Gallifa, Pau; Martínez-Benito, Carla; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Influence of the coligand in the magnetic properties of a series of copper(ii)‒phenylmalonate complexes","CrystEngComm","2014","16","35","8106","","10.1039/C4CE00834K","","x-ray","0.71073","MoKα","","0.0742","0.06","","","0.128","0.1327","","","","","","1.214","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216199","6.9188","0.0008","31.18","0.012","6.2103","0.0011","90","","93.463","0.015","90","","1337.3","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 Cu N2 O4 -","- C15 H10 Cu N2 O4 -","- C60 H40 Cu4 N8 O16 -","4","1","","Pasán, Jorge; Sanchiz, Joaquín; Fabelo, Óscar; Cañadillas-Delgado, Laura; Déniz, Mariadel; Díaz-Gallifa, Pau; Martínez-Benito, Carla; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Influence of the coligand in the magnetic properties of a series of copper(ii)‒phenylmalonate complexes","CrystEngComm","2014","16","35","8106","","10.1039/C4CE00834K","","x-ray","0.71073","MoKα","","0.0865","0.0578","","","0.1369","0.1475","","","","","","1.013","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216200","6.3297","0.0002","31.7864","0.0011","6.939","0.0002","90","","92.732","0.003","90","","1394.53","0.08","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 Cu N2 O4 -","- C15 H10 Cu N2 O4 -","- C60 H40 Cu4 N8 O16 -","4","1","","Pasán, Jorge; Sanchiz, Joaquín; Fabelo, Óscar; Cañadillas-Delgado, Laura; Déniz, Mariadel; Díaz-Gallifa, Pau; Martínez-Benito, Carla; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Influence of the coligand in the magnetic properties of a series of copper(ii)‒phenylmalonate complexes","CrystEngComm","2014","16","35","8106","","10.1039/C4CE00834K","","x-ray","1.54184","CuKα","","0.038","0.0323","","","0.0827","0.0867","","","","","","1.028","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216201","6.2264","0.0011","30.6016","0.0017","6.9804","0.0012","90","","93.297","0.013","90","","1327.8","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 Cl Cu N O4 -","- C14 H10 Cl Cu N O4 -","- C56 H40 Cl4 Cu4 N4 O16 -","4","1","","Pasán, Jorge; Sanchiz, Joaquín; Fabelo, Óscar; Cañadillas-Delgado, Laura; Déniz, Mariadel; Díaz-Gallifa, Pau; Martínez-Benito, Carla; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Influence of the coligand in the magnetic properties of a series of copper(ii)‒phenylmalonate complexes","CrystEngComm","2014","16","35","8106","","10.1039/C4CE00834K","","x-ray","0.71073","MoKα","","0.1535","0.0876","","","0.1791","0.196","","","","","","1.148","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216202","6.2413","0.0002","31.0345","0.0007","6.9777","0.0002","90","","93.573","0.002","90","","1348.92","0.07","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 Br Cu N O4 -","- C14 H10 Br Cu N O4 -","- C56 H40 Br4 Cu4 N4 O16 -","4","1","","Pasán, Jorge; Sanchiz, Joaquín; Fabelo, Óscar; Cañadillas-Delgado, Laura; Déniz, Mariadel; Díaz-Gallifa, Pau; Martínez-Benito, Carla; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Influence of the coligand in the magnetic properties of a series of copper(ii)‒phenylmalonate complexes","CrystEngComm","2014","16","35","8106","","10.1039/C4CE00834K","","x-ray","1.54184","CuKα","","0.0604","0.0574","","","0.1675","0.1707","","","","","","1.184","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216203","6.2716","0.0002","31.968","0.0007","6.9916","0.0002","90","","93.949","0.002","90","","1398.42","0.07","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 Cu I N O4 -","- C14 H10 Cu I N O4 -","- C56 H40 Cu4 I4 N4 O16 -","4","1","","Pasán, Jorge; Sanchiz, Joaquín; Fabelo, Óscar; Cañadillas-Delgado, Laura; Déniz, Mariadel; Díaz-Gallifa, Pau; Martínez-Benito, Carla; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Influence of the coligand in the magnetic properties of a series of copper(ii)‒phenylmalonate complexes","CrystEngComm","2014","16","35","8106","","10.1039/C4CE00834K","","x-ray","1.54184","CuKα","","0.0524","0.0491","","","0.1364","0.1392","","","","","","1.181","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216204","6.8019","0.0004","14.4384","0.0008","19.8727","0.0012","90.46","0.002","99.276","0.002","101.46","0.002","1886.13","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H18 N5 O4.5 S -","- C18 H18 N5 O4.5 S -","- C72 H72 N20 O18 S4 -","4","2","","Thomas, Lynne H.; Klapwijk, Anneke R.; Wales, Craig; Wilson, Chick C.","Intermolecular hydrogen transfer and solubility tuning in multi-component molecular crystals of the API piroxicam","CrystEngComm","2014","16","26","5924","","10.1039/c4ce00246f","","","0.71073","MoKα","","0.1543","0.0567","","","","0.0996","","","","","","0.949","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216205","8.151","0.0005","26.5997","0.0017","10.1579","0.0007","90","","113.394","0.003","90","","2021.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N6 O4 S -","- C20 H20 N6 O4 S -","- C80 H80 N24 O16 S4 -","4","1","","Thomas, Lynne H.; Klapwijk, Anneke R.; Wales, Craig; Wilson, Chick C.","Intermolecular hydrogen transfer and solubility tuning in multi-component molecular crystals of the API piroxicam","CrystEngComm","2014","16","26","5924","","10.1039/c4ce00246f","","","0.71073","MoKα","","0.0798","0.0601","","","","0.1699","","","","","","1.146","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216206","6.9103","0.0001","22.1444","0.0005","25.1813","0.0005","90","","97.068","0.001","90","","3824.07","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C74 H71 N21 O16 S4 -","- C74 H71 N21 O16 S4 -","- C148 H142 N42 O32 S8 -","2","0.5","","Thomas, Lynne H.; Klapwijk, Anneke R.; Wales, Craig; Wilson, Chick C.","Intermolecular hydrogen transfer and solubility tuning in multi-component molecular crystals of the API piroxicam","CrystEngComm","2014","16","26","5924","","10.1039/c4ce00246f","","","0.71073","MoKα","","0.1322","0.0572","","","0.1219","0.1456","","","","","","0.978","","","","has coordinates,has disorder","180493","2020-10-21","18:00:00",""
"7216207","10.9928","0.0008","15.3135","0.0015","12.551","0.001","90","","112.039","0.004","90","","1958.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 N5 O4 S -","- C19 H19 N5 O4 S -","- C76 H76 N20 O16 S4 -","4","1","","Thomas, Lynne H.; Klapwijk, Anneke R.; Wales, Craig; Wilson, Chick C.","Intermolecular hydrogen transfer and solubility tuning in multi-component molecular crystals of the API piroxicam","CrystEngComm","2014","16","26","5924","","10.1039/c4ce00246f","","","0.71073","MoKα","","0.1021","0.0567","","","0.1151","0.1309","","","","","","0.985","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216208","12.005","0.003","13.789","0.003","13.81","0.004","72.186","0.007","68.682","0.007","80.962","0.007","2024.8","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H19 N5 O4 S -","- C22 H19 N5 O4 S -","- C88 H76 N20 O16 S4 -","4","2","","Thomas, Lynne H.; Klapwijk, Anneke R.; Wales, Craig; Wilson, Chick C.","Intermolecular hydrogen transfer and solubility tuning in multi-component molecular crystals of the API piroxicam","CrystEngComm","2014","16","26","5924","","10.1039/c4ce00246f","","","0.71073","MoKα","","0.1858","0.0618","","","","0.102","","","","","","0.887","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216209","6.9267","0.0002","8.3356","0.0003","28.8177","0.001","86.485","0.002","84.209","0.002","76.271","0.001","1606.89","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H29 N9 O8 S2 -","- C32 H29 N9 O8 S2 -","- C64 H58 N18 O16 S4 -","2","1","","Thomas, Lynne H.; Klapwijk, Anneke R.; Wales, Craig; Wilson, Chick C.","Intermolecular hydrogen transfer and solubility tuning in multi-component molecular crystals of the API piroxicam","CrystEngComm","2014","16","26","5924","","10.1039/c4ce00246f","","","0.71073","MoKα","","0.0916","0.0616","","","0.1327","0.1457","","","","","","1.096","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216210","11.6101","0.0006","26.2908","0.0015","6.771","0.0003","90","","103.48","0.003","90","","2009.84","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 N6 O4 S -","- C21 H18 N6 O4 S -","- C84 H72 N24 O16 S4 -","4","1","","Thomas, Lynne H.; Klapwijk, Anneke R.; Wales, Craig; Wilson, Chick C.","Intermolecular hydrogen transfer and solubility tuning in multi-component molecular crystals of the API piroxicam","CrystEngComm","2014","16","26","5924","","10.1039/c4ce00246f","","","0.71073","MoKα","","0.0721","0.0546","","","","0.1538","","","","","","1.081","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216211","6.792","0.011","8.646","0.015","29.66","0.05","94.159","0.011","90.513","0.018","104.78","0.04","1679","5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H30 N8 O8 S2 -","- C34 H30 N8 O8 S2 -","- C68 H60 N16 O16 S4 -","2","1","","Thomas, Lynne H.; Klapwijk, Anneke R.; Wales, Craig; Wilson, Chick C.","Intermolecular hydrogen transfer and solubility tuning in multi-component molecular crystals of the API piroxicam","CrystEngComm","2014","16","26","5924","","10.1039/c4ce00246f","","","0.6889","synchrotron","","0.2644","0.1739","","","","0.4876","","","","","","1.239","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216212","9.1504","0.0004","10.9678","0.0004","11.7747","0.0005","89.228","0.002","75.765","0.002","70.977","0.002","1080","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H15 Cl2 N3 O8 S -","- C21 H15 Cl2 N3 O8 S -","- C42 H30 Cl4 N6 O16 S2 -","2","1","","Thomas, Lynne H.; Klapwijk, Anneke R.; Wales, Craig; Wilson, Chick C.","Intermolecular hydrogen transfer and solubility tuning in multi-component molecular crystals of the API piroxicam","CrystEngComm","2014","16","26","5924","","10.1039/c4ce00246f","","","0.71073","MoKα","","0.0586","0.0376","","","0.0844","0.0909","","","","","","0.945","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216213","8.5627","0.0005","13.3395","0.0007","19.3963","0.0012","90","","100.925","0.003","90","","2175.3","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 Cl2 N3 O8 S -","- C21 H15 Cl2 N3 O8 S -","- C84 H60 Cl8 N12 O32 S4 -","4","1","","Thomas, Lynne H.; Klapwijk, Anneke R.; Wales, Craig; Wilson, Chick C.","Intermolecular hydrogen transfer and solubility tuning in multi-component molecular crystals of the API piroxicam","CrystEngComm","2014","16","26","5924","","10.1039/c4ce00246f","","","0.71073","MoKα","","0.0797","0.0397","","","0.0678","0.0762","","","","","","0.922","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216214","7.0616","0.0008","11.6031","0.0013","13.2994","0.0017","71.351","0.005","84.932","0.005","78.919","0.005","1012.8","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H17 Cl N4 O6 S -","- C20 H17 Cl N4 O6 S -","- C40 H34 Cl2 N8 O12 S2 -","2","1","","Thomas, Lynne H.; Klapwijk, Anneke R.; Wales, Craig; Wilson, Chick C.","Intermolecular hydrogen transfer and solubility tuning in multi-component molecular crystals of the API piroxicam","CrystEngComm","2014","16","26","5924","","10.1039/c4ce00246f","","","0.71073","MoKα","","0.0896","0.045","","","","0.1065","","","","","","0.984","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216215","8.8422","0.0017","13.437","0.002","19.242","0.004","90","","100.518","0.011","90","","2247.8","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 Br2 N3 O8 S -","- C21 H15 Br2 N3 O8 S -","- C84 H60 Br8 N12 O32 S4 -","4","1","","Thomas, Lynne H.; Klapwijk, Anneke R.; Wales, Craig; Wilson, Chick C.","Intermolecular hydrogen transfer and solubility tuning in multi-component molecular crystals of the API piroxicam","CrystEngComm","2014","16","26","5924","","10.1039/c4ce00246f","","","0.71073","MoKα","","0.049","0.0319","","","","0.0785","","","","","","0.935","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216216","8.0679","0.0009","16.014","0.0017","3.5224","0.0004","90","","101.112","0.001","90","","446.56","0.09","293","2","293","2","","","","","","","","4","C 1 m 1","C -2y","8","","","","- B3 Ca4 O10 Tm -","- B3 Ca4.021 O10 Tm1.005 -","- B6 Ca8.042 O20 Tm2.01 -","2","0.5","","Liu, Yanqing; Yu, Fapeng; Wang, Zhengping; Hou, Shuai; Yang, Lei; Xu, Xinguang; Zhao, Xian","Bulk growth and nonlinear optical properties of thulium calcium oxyborate single crystals","CrystEngComm","2014","16","30","7141","","10.1039/C4CE00869C","","","0.71069","MoKα","","0.0152","0.0152","","","0.0359","0.0359","","","","","","0.869","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7216217","13.6451","0.0019","13.6451","0.0019","17.203","0.003","90","","90","","120","","2773.9","0.7","293","2","293","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C36 H90 Fe6 N6 O27 -","- C36 H72 Fe6 N6 O27 -","- C72 H144 Fe12 N12 O54 -","2","0.166667","","Liu, Sui-Jun; Han, Song-De; Jia, Ji-Min; Xue, Li; Cui, Yu; Zhang, Shu-Ming; Chang, Ze","Step-by-step synthesis of one Fe6 wheel and two Fe10 clusters derived from a multidentate triethanolamine ligand","CrystEngComm","2014","16","24","5212","","10.1039/c3ce42381f","","","0.71073","MoKα","","0.0674","0.0593","","","0.1388","0.1427","","","","","","1.189","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216218","37.09","0.02","11.39","0.007","29.307","0.016","90","","90.01","0.001","90","","12381","12","113","2","386","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H80 Fe10 N6 O34 -","- C42 H78 Fe10 N6 O34 -","- C336 H624 Fe80 N48 O272 -","8","1","","Liu, Sui-Jun; Han, Song-De; Jia, Ji-Min; Xue, Li; Cui, Yu; Zhang, Shu-Ming; Chang, Ze","Step-by-step synthesis of one Fe6 wheel and two Fe10 clusters derived from a multidentate triethanolamine ligand","CrystEngComm","2014","16","24","5212","","10.1039/c3ce42381f","","","0.71073","MoKα","","0.1286","0.0991","","","0.1801","0.2036","","","","","","1.005","","","","has coordinates,has disorder","180493","2020-10-21","18:00:00",""
"7216219","11.154","0.002","29.642","0.006","21.965","0.004","90","","104.05","0.03","90","","7045","2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H87 Cl4 Fe10 N7 O27 -","- C43 H84 Cl4 Fe10 N7 O27 -","- C172 H336 Cl16 Fe40 N28 O108 -","4","1","","Liu, Sui-Jun; Han, Song-De; Jia, Ji-Min; Xue, Li; Cui, Yu; Zhang, Shu-Ming; Chang, Ze","Step-by-step synthesis of one Fe6 wheel and two Fe10 clusters derived from a multidentate triethanolamine ligand","CrystEngComm","2014","16","24","5212","","10.1039/c3ce42381f","","","0.71073","MoKα","","0.1104","0.0811","","","0.2013","0.2186","","","","","","1.098","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216220","11.597","0.004","22.299","0.007","13.655","0.005","90","","94.344","0.006","90","","3521","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H32 Cl Fe N24 O14 -","- C18 H32 Cl Fe N24 O14 -","- C72 H128 Cl4 Fe4 N96 O56 -","4","1","","Wang, Lei; Wang, Wenqiang; Guo, Dong; Zhang, Ao; Song, Yaoguang; Zhang, Yiheng; Huang, Keke","Design and syntheses of hybrid supramolecular architectures: based on [Fe(C2O4)3]3− metallotectons and diverse organic cations","CrystEngComm","2014","16","24","5437","","10.1039/c4ce00357h","","","0.71073","MoKα","","0.0751","0.0502","","","0.1376","0.1497","","","","","","0.993","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216221","13.4174","0.0006","18.1772","0.0007","22.334","0.0008","90","","90","","90","","5447.1","0.4","293","2","293","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C22 H22 Fe K N4 O14 -","- C22 H22 Fe K N4 O14 -","- C176 H176 Fe8 K8 N32 O112 -","8","0.5","","Wang, Lei; Wang, Wenqiang; Guo, Dong; Zhang, Ao; Song, Yaoguang; Zhang, Yiheng; Huang, Keke","Design and syntheses of hybrid supramolecular architectures: based on [Fe(C2O4)3]3− metallotectons and diverse organic cations","CrystEngComm","2014","16","24","5437","","10.1039/c4ce00357h","","","0.71073","MoKα","","0.085","0.0449","","","0.09","0.1041","","","","","","1.043","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216222","7.599","0.0005","11.7318","0.0007","16.7071","0.001","88.582","0.001","88.202","0.001","71.4","0.001","1410.78","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H23 Fe N4 O11 -","- C28 H23 Fe N4 O11 -","- C56 H46 Fe2 N8 O22 -","2","1","","Wang, Lei; Wang, Wenqiang; Guo, Dong; Zhang, Ao; Song, Yaoguang; Zhang, Yiheng; Huang, Keke","Design and syntheses of hybrid supramolecular architectures: based on [Fe(C2O4)3]3− metallotectons and diverse organic cations","CrystEngComm","2014","16","24","5437","","10.1039/c4ce00357h","","","0.71073","MoKα","","0.0543","0.0435","","","0.1233","0.1298","","","","","","1.013","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216223","10.6758","0.0008","10.7457","0.0008","10.8774","0.0009","113.219","0.008","109.138","0.007","99.294","0.006","1020.84","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H32 Cl4 Fe2 N8 O12 -","- C34 H32 Cl4 Fe2 N8 O12 -","- C34 H32 Cl4 Fe2 N8 O12 -","1","0.5","","Wang, Lei; Wang, Wenqiang; Guo, Dong; Zhang, Ao; Song, Yaoguang; Zhang, Yiheng; Huang, Keke","Design and syntheses of hybrid supramolecular architectures: based on [Fe(C2O4)3]3− metallotectons and diverse organic cations","CrystEngComm","2014","16","24","5437","","10.1039/c4ce00357h","","","0.71073","MoKα","","0.0877","0.0498","","","0.1086","0.1294","","","","","","1.02","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216224","14.7637","0.0012","20.5458","0.0015","9.5211","0.0008","90","","107.412","0.009","90","","2755.7","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H24 Fe K N4 O14 -","- C22 H24 Fe K N4 O14 -","- C88 H96 Fe4 K4 N16 O56 -","4","0.5","","Wang, Lei; Wang, Wenqiang; Guo, Dong; Zhang, Ao; Song, Yaoguang; Zhang, Yiheng; Huang, Keke","Design and syntheses of hybrid supramolecular architectures: based on [Fe(C2O4)3]3− metallotectons and diverse organic cations","CrystEngComm","2014","16","24","5437","","10.1039/c4ce00357h","","","0.71073","MoKα","","0.0381","0.0315","","","0.0771","0.0801","","","","","","1.03","","","","has coordinates","212110","2020-10-21","18:00:00",""
"7216225","14.7204","0.0005","16.3987","0.0006","18.7939","0.0007","90","","103.259","0.001","90","","4415.8","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H18 Fe K N4 O13 -","- C16 H18 Fe K N4 O13 -","- C128 H144 Fe8 K8 N32 O104 -","8","1","","Wang, Lei; Wang, Wenqiang; Guo, Dong; Zhang, Ao; Song, Yaoguang; Zhang, Yiheng; Huang, Keke","Design and syntheses of hybrid supramolecular architectures: based on [Fe(C2O4)3]3− metallotectons and diverse organic cations","CrystEngComm","2014","16","24","5437","","10.1039/c4ce00357h","","","0.71073","MoKα","","0.0382","0.0339","","","0.0906","0.0932","","","","","","1.093","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216226","14.5197","0.001","12.4744","0.0008","9.3796","0.0007","90","","109.26","0.008","90","","1603.8","0.2","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C14 H9 Fe N6 O4 -","- C14 H9 Fe N6 O4 -","- C56 H36 Fe4 N24 O16 -","4","1","","Wang, Lei; Wang, Wenqiang; Guo, Dong; Zhang, Ao; Song, Yaoguang; Zhang, Yiheng; Huang, Keke","Design and syntheses of hybrid supramolecular architectures: based on [Fe(C2O4)3]3− metallotectons and diverse organic cations","CrystEngComm","2014","16","24","5437","","10.1039/c4ce00357h","","","0.71073","MoKα","","0.0492","0.042","","","0.0862","0.0921","","","","","","1.012","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216227","7.6299","0.0006","8.1873","0.0007","10.0309","0.0009","107.527","0.008","100.261","0.007","95.27","0.007","580.85","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H26 Fe2 N4 O20 -","- C12 H26 Fe2 N4 O20 -","- C12 H26 Fe2 N4 O20 -","1","0.5","","Wang, Lei; Wang, Wenqiang; Guo, Dong; Zhang, Ao; Song, Yaoguang; Zhang, Yiheng; Huang, Keke","Design and syntheses of hybrid supramolecular architectures: based on [Fe(C2O4)3]3− metallotectons and diverse organic cations","CrystEngComm","2014","16","24","5437","","10.1039/c4ce00357h","","","0.71073","MoKα","","0.0434","0.0355","","","0.0889","0.094","","","","","","1.065","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216228","11.539","0.003","11.562","0.003","14.283","0.003","99.419","0.003","96.191","0.003","117.938","0.003","1623.1","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H48 N16 O19 Zn5 -","- C62 H46 N16 O19 Zn5 -","- C62 H46 N16 O19 Zn5 -","1","0.5","","Hua, Ji-Ai; Zhao, Yue; Liu, Qing; Zhao, Dan; Chen, Kai; Sun, Wei-Yin","Zinc(ii) coordination polymers with substituted benzenedicarboxylate and tripodal imidazole ligands: syntheses, structures and properties","CrystEngComm","2014","16","32","7536","","10.1039/C4CE00835A","","","0.71073","MoKα","","0.0896","0.0663","","","0.1852","0.2045","","","","","","1.019","","","","has coordinates,has disorder","180493","2020-10-21","18:00:00",""
"7216229","7.999","0.01","11.703","0.005","17.386","0.002","104.387","0.002","98.557","0.002","96.306","0.002","1541","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H31 N7 O15 S Zn2 -","- C23 H31 N7 O15 S Zn2 -","- C46 H62 N14 O30 S2 Zn4 -","2","1","","Hua, Ji-Ai; Zhao, Yue; Liu, Qing; Zhao, Dan; Chen, Kai; Sun, Wei-Yin","Zinc(ii) coordination polymers with substituted benzenedicarboxylate and tripodal imidazole ligands: syntheses, structures and properties","CrystEngComm","2014","16","32","7536","","10.1039/C4CE00835A","","","0.71073","MoKα","","0.0417","0.0368","","","0.0975","0.1008","","","","","","1.034","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216230","14.6517","0.0016","7.8277","0.0008","22.551","0.002","90","","90.01","0.02","90","","2586.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H42 N12 O17 Zn2 -","- C54 H38 N12 O17 Zn2 -","- C108 H76 N24 O34 Zn4 -","2","0.5","","Hua, Ji-Ai; Zhao, Yue; Liu, Qing; Zhao, Dan; Chen, Kai; Sun, Wei-Yin","Zinc(ii) coordination polymers with substituted benzenedicarboxylate and tripodal imidazole ligands: syntheses, structures and properties","CrystEngComm","2014","16","32","7536","","10.1039/C4CE00835A","","","0.71073","MoKα","","0.0512","0.0393","","","0.115","0.1341","","","","","","1.075","","","","has coordinates,has disorder","180493","2020-10-21","18:00:00",""
"7216231","10.426","0.005","18.99","0.01","11.711","0.006","90","","96.875","0.01","90","","2302","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 N7 O7 Zn -","- C23 H15 N7 O7 Zn -","- C92 H60 N28 O28 Zn4 -","4","1","","Hua, Ji-Ai; Zhao, Yue; Liu, Qing; Zhao, Dan; Chen, Kai; Sun, Wei-Yin","Zinc(ii) coordination polymers with substituted benzenedicarboxylate and tripodal imidazole ligands: syntheses, structures and properties","CrystEngComm","2014","16","32","7536","","10.1039/C4CE00835A","","","0.71073","MoKα","","0.0328","0.0297","","","0.0829","0.0851","","","","","","1.039","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216232","17.5405","0.0009","17.5405","0.0009","76.087","0.003","90","","90","","120","","20273.3","1.7","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C48 H12 Co9 Li3 N36 O54 -","- C48 H12 Co9 Li3 N36 O54 -","- C288 H72 Co54 Li18 N216 O324 -","6","0.166667","","Zou, Ji-Yong; Shi, Wei; Zhang, Jing-Ya; He, Yan-Fei; Gao, Hong-Ling; Cui, Jian-Zhong; Cheng, Peng","Alkaline cation directed structural diversity of cubic-cage-based cobalt(ii) metal‒organic frameworks: from pcu to bct net","CrystEngComm","2014","16","30","7133","","10.1039/C4CE00597J","","","0.71073","MoKα","","0.1077","0.062","","","0.1614","0.1806","","","","","","0.952","","","","has coordinates,has disorder","180493","2020-10-21","18:00:00",""
"7216233","17.6972","0.0011","17.6972","0.0011","76.397","0.005","90","","90","","120","","20721","2","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C48 H12 Co9 Li3 N36 O54 -","- C48 H12 Co9 Li3 N36 O54 -","- C288 H72 Co54 Li18 N216 O324 -","6","0.166667","","Zou, Ji-Yong; Shi, Wei; Zhang, Jing-Ya; He, Yan-Fei; Gao, Hong-Ling; Cui, Jian-Zhong; Cheng, Peng","Alkaline cation directed structural diversity of cubic-cage-based cobalt(ii) metal‒organic frameworks: from pcu to bct net","CrystEngComm","2014","16","30","7133","","10.1039/C4CE00597J","","","0.71073","MoKα","","0.1139","0.0553","","","0.1475","0.168","","","","","","0.903","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216234","28.9159","0.0013","18.0006","0.0012","28.5482","0.0014","90","","110.501","0.005","90","","13918.3","1.4","126.1","0.3","126.1","0.3","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H4 Co8 K5 N36 O51 -","- C48 H4 Co8 K5 N36 O51 -","- C192 H16 Co32 K20 N144 O204 -","4","0.5","","Zou, Ji-Yong; Shi, Wei; Zhang, Jing-Ya; He, Yan-Fei; Gao, Hong-Ling; Cui, Jian-Zhong; Cheng, Peng","Alkaline cation directed structural diversity of cubic-cage-based cobalt(ii) metal‒organic frameworks: from pcu to bct net","CrystEngComm","2014","16","30","7133","","10.1039/C4CE00597J","","","0.71073","MoKα","","0.1219","0.0785","","","0.227","0.2515","","","","","","0.971","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216235","6.966","0.003","10.138","0.002","13.113","0.003","70.48","0.02","86.08","0.03","71.43","0.03","826.6","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H32 Ca Cl2 N12 O18 -","- C16 H32 Ca Cl2 N12 O18 -","- C16 H32 Ca Cl2 N12 O18 -","1","0.5","","Marino, Nadia; Armentano, Donatella; Zanchini, Claudia; De Munno, G.","Ca2+ metal ion adducts with cytosine, cytidine and cytidine 5’-monophosphate. A comprehensive study of calcium reactivity towards building units of nucleic acids.","CrystEngComm","2014","","","","","10.1039/c4ce00511b","","","0.71073","MoKα","","0.1379","0.074","","","0.181","0.226","","","","","","1.018","","","","has coordinates,has disorder","180493","2020-10-21","18:00:00",""
"7216236","7.042","0.002","10.068","0.003","10.415","0.003","63.28","0.02","83.44","0.02","86.87","0.02","655.2","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C4 H9 Ca Cl2 N3 O11 -","- C4 H9 Ca Cl2 N3 O11 -","- C8 H18 Ca2 Cl4 N6 O22 -","2","1","","Marino, Nadia; Armentano, Donatella; Zanchini, Claudia; De Munno, G.","Ca2+ metal ion adducts with cytosine, cytidine and cytidine 5’-monophosphate. A comprehensive study of calcium reactivity towards building units of nucleic acids.","CrystEngComm","2014","","","","","10.1039/c4ce00511b","","","0.71073","MoKα","","0.0505","0.0435","","","0.1252","0.1367","","","","","","1.088","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216237","9.487","0.002","9.65","0.002","9.796","0.002","84.51","0.02","88.01","0.02","62.17","0.02","789.4","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H14 Ca Cl2 N6 O4 -","- C8 H14 Ca Cl2 N6 O4 -","- C16 H28 Ca2 Cl4 N12 O8 -","2","1","","Marino, Nadia; Armentano, Donatella; Zanchini, Claudia; De Munno, G.","Ca2+ metal ion adducts with cytosine, cytidine and cytidine 5’-monophosphate. A comprehensive study of calcium reactivity towards building units of nucleic acids.","CrystEngComm","2014","","","","","10.1039/c4ce00511b","","","0.71073","MoKα","","0.0741","0.0452","","","0.0893","0.1113","","","","","","1.092","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216238","21.7076","0.0009","21.7076","0.0009","59.216","0.004","90","","90","","90","","27904","2","100","2","100","2","","","","","","","","6","I 41 2 2","I 4bw 2bw","98","","","","- C72 H80 Ca4 Cl8 N24 O100 -","- C72 H88 Ca4 Cl N24 O60 -","- C576 H704 Ca32 Cl8 N192 O480 -","8","0.5","","Marino, Nadia; Armentano, Donatella; Zanchini, Claudia; De Munno, G.","Ca2+ metal ion adducts with cytosine, cytidine and cytidine 5’-monophosphate. A comprehensive study of calcium reactivity towards building units of nucleic acids.","CrystEngComm","2014","","","","","10.1039/c4ce00511b","","","0.71073","MoKα","","0.068","0.0597","","","0.1704","0.1748","","","","","","1.049","","","","has coordinates,has disorder","180493","2020-10-21","18:00:00",""
"7216239","12.2222","0.0005","12.6202","0.0003","12.6332","0.0003","103.712","0.001","109.206","0.001","108.164","0.001","1618.41","0.09","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C36 H80 Ca2 Cl4 N12 O34 -","- C36 H74 Ca2 Cl4 N12 O33.999 -","- C36 H74 Ca2 Cl4 N12 O33.999 -","1","1","","Marino, Nadia; Armentano, Donatella; Zanchini, Claudia; De Munno, G.","Ca2+ metal ion adducts with cytosine, cytidine and cytidine 5’-monophosphate. A comprehensive study of calcium reactivity towards building units of nucleic acids.","CrystEngComm","2014","","","","","10.1039/c4ce00511b","","","0.71073","MoKα","","0.044","0.0409","","","0.1178","0.1215","","","","","","1.037","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216240","12.298","","8.762","","19.691","","90","","102.16","","90","","2074.2","","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H56 Ca2 N6 O32 P2 -","- C18 H24 Ca2 N6 O32 P2 -","- C36 H48 Ca4 N12 O64 P4 -","2","1","","Marino, Nadia; Armentano, Donatella; Zanchini, Claudia; De Munno, G.","Ca2+ metal ion adducts with cytosine, cytidine and cytidine 5’-monophosphate. A comprehensive study of calcium reactivity towards building units of nucleic acids.","CrystEngComm","2014","","","","","10.1039/c4ce00511b","","","0.71073","MoKα","","0.0453","0.0437","","","0.1262","0.129","","","","","","1.068","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216241","7.673","0.006","13.318","0.011","16.25","0.014","90","","90","","90","","1661","2","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","COCRYSTAL 1","","","- C12 H13 Cl N6 O5 S2 -","- C12 H13 Cl N6 O5 S2 -","- C48 H52 Cl4 N24 O20 S8 -","4","1","","Wang, Jian-Rong; Ye, Chanjuan; Mei, Xuefeng","Structural and physicochemical aspects of hydrochlorothiazide co-crystals","CrystEngComm","2014","16","30","6996","","10.1039/C4CE00666F","","","0.71073","MoKα","","0.112","0.0538","","","0.0996","0.1215","","","","","","1.022","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216242","7.5201","0.0011","18.295","0.003","17.782","0.003","90","","93.534","0.009","90","","2441.8","0.7","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","COCRYSTAL 5","","","- C22 H22 Cl N6 O5 S2 -","- C22 H22 Cl N6 O5 S2 -","- C88 H88 Cl4 N24 O20 S8 -","4","1","","Wang, Jian-Rong; Ye, Chanjuan; Mei, Xuefeng","Structural and physicochemical aspects of hydrochlorothiazide co-crystals","CrystEngComm","2014","16","30","6996","","10.1039/C4CE00666F","","","0.71073","MoKα","","0.1023","0.0481","","","0.0986","0.1148","","","","","","0.939","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216243","10.676","0.002","23.734","0.005","8.556","0.0016","90","","95.786","0.008","90","","2156.9","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","COCRYSTAL 6","","","- C19 H20 Cl N5 O4 S2 -","- C19 H20 Cl N5 O4 S2 -","- C76 H80 Cl4 N20 O16 S8 -","4","1","","Wang, Jian-Rong; Ye, Chanjuan; Mei, Xuefeng","Structural and physicochemical aspects of hydrochlorothiazide co-crystals","CrystEngComm","2014","16","30","6996","","10.1039/C4CE00666F","","","0.71073","MoKα","","0.1882","0.0673","","","0.0858","0.1114","","","","","","1.017","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216244","11.2718","0.0014","26.189","0.003","21.16","0.003","90","","93.349","0.009","90","","6235.7","1.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","HCTEN","","","- C31 H32 Cl N7 O4 S2 -","- C31 H28 Cl N7 O4 S2 -","- C248 H224 Cl8 N56 O32 S16 -","8","2","","Wang, Jian-Rong; Ye, Chanjuan; Mei, Xuefeng","Structural and physicochemical aspects of hydrochlorothiazide co-crystals","CrystEngComm","2014","16","30","6996","","10.1039/C4CE00666F","","","0.71073","MoKα","","0.2088","0.0912","","","0.2063","0.2664","","","","","","1.022","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216245","9.0139","0.0003","21.2524","0.0008","22.2753","0.0008","90","","90","","90","","4267.2","0.3","120","0.2","120","0.2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","disodium guanosine-5-phosphate heptahydrate","","- C10 H26 N5 Na2 O15 P -","- C10 H26 N5 Na2 O15 P -","- C80 H208 N40 Na16 O120 P8 -","8","2","","Dračínský, Martin; Šála, Michal; Hodgkinson, Paul","Dynamics of water molecules and sodium ions in solid hydrates of nucleotides","CrystEngComm","2014","16","29","6756","","10.1039/c4ce00727a","","","0.71073","MoKα","","0.116","0.0794","","","0.1792","0.2118","","","","","","1.029","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216246","17.125","0.003","14.6887","0.0018","7.0147","0.0011","90","","93.338","0.016","90","","1761.5","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H21 N4 O2 P S2 -","- C12 H21 N4 O2 P S2 -","- C48 H84 N16 O8 P4 S8 -","4","1","","Safin, Damir A.; Babashkina, Maria G.; Robeyns, Koen; Bolte, Michael; Garcia, Yann","N-Salicylidene aniline derivatives based on the N′-thiophosphorylated thiourea scaffold","CrystEngComm","2014","16","30","7053","","10.1039/C4CE00598H","","","0.71073","MoKα","","0.1248","0.1007","","","0.2267","0.2412","","","","","","0.996","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216247","6.8774","0.0005","14.6409","0.0014","15.1569","0.0012","70.775","0.008","89.447","0.006","83.841","0.007","1432.2","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H31 N4 O5 P S2 -","- C26 H31 N4 O5 P S2 -","- C52 H62 N8 O10 P2 S4 -","2","1","","Safin, Damir A.; Babashkina, Maria G.; Robeyns, Koen; Bolte, Michael; Garcia, Yann","N-Salicylidene aniline derivatives based on the N′-thiophosphorylated thiourea scaffold","CrystEngComm","2014","16","30","7053","","10.1039/C4CE00598H","","","0.71073","MoKα","","0.0695","0.052","","","0.1332","0.1447","","","","","","1.04","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216248","8.5874","0.0007","11.9114","0.0014","12.8574","0.0015","98.428","0.01","109.104","0.009","96.547","0.008","1210.7","0.2","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H24 Cl N4 O3 P S2 -","- C19 H24 Cl N4 O3 P S2 -","- C38 H48 Cl2 N8 O6 P2 S4 -","2","1","","Safin, Damir A.; Babashkina, Maria G.; Robeyns, Koen; Bolte, Michael; Garcia, Yann","N-Salicylidene aniline derivatives based on the N′-thiophosphorylated thiourea scaffold","CrystEngComm","2014","16","30","7053","","10.1039/C4CE00598H","","","0.71073","MoKα","","0.0583","0.0463","","","0.1191","0.1261","","","","","","1.05","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216249","8.5957","0.0013","11.821","0.002","12.807","0.002","98.558","0.015","108.643","0.015","97.79","0.015","1195.8","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H24 Br N4 O3 P S2 -","- C19 H24 Br N4 O3 P S2 -","- C38 H48 Br2 N8 O6 P2 S4 -","2","1","","Safin, Damir A.; Babashkina, Maria G.; Robeyns, Koen; Bolte, Michael; Garcia, Yann","N-Salicylidene aniline derivatives based on the N′-thiophosphorylated thiourea scaffold","CrystEngComm","2014","16","30","7053","","10.1039/C4CE00598H","","","0.71073","MoKα","","0.048","0.0424","","","0.1101","0.1141","","","","","","1.037","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216250","9.0052","0.0008","11.7572","0.001","12.3225","0.0011","98.558","0.007","106.445","0.007","97.06","0.007","1218.5","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H23 Cl2 N4 O3 P S2 -","- C19 H23 Cl2 N4 O3 P S2 -","- C38 H46 Cl4 N8 O6 P2 S4 -","2","1","","Safin, Damir A.; Babashkina, Maria G.; Robeyns, Koen; Bolte, Michael; Garcia, Yann","N-Salicylidene aniline derivatives based on the N′-thiophosphorylated thiourea scaffold","CrystEngComm","2014","16","30","7053","","10.1039/C4CE00598H","","","0.71073","MoKα","","0.0567","0.0436","","","0.0955","0.1001","","","","","","1.104","","","","has coordinates,has disorder","180493","2020-10-21","18:00:00",""
"7216251","25.4932","0.0013","8.2482","0.0005","25.1957","0.0014","90","","101.28","0.004","90","","5195.6","0.5","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H26 Br2 N4 O3.5 P S2 -","- C20 H26 Br2 N4 O3.5 P S2 -","- C160 H208 Br16 N32 O28 P8 S16 -","8","1","","Safin, Damir A.; Babashkina, Maria G.; Robeyns, Koen; Bolte, Michael; Garcia, Yann","N-Salicylidene aniline derivatives based on the N′-thiophosphorylated thiourea scaffold","CrystEngComm","2014","16","30","7053","","10.1039/C4CE00598H","","","0.71073","MoKα","","0.0821","0.0546","","","0.1208","0.1318","","","","","","1.027","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216268","10.484","0.0002","19.531","0.0005","31.33","0.001","90","","93.382","0.0009","90","","6404.1","0.3","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C74 H51.5 Cu N9.5 O12 -","- C47 H29 Cu N5 O3 -","- C188 H116 Cu4 N20 O12 -","4","1","","Vinodu, Mikki; Goldberg, Israel","Porphyrin networks. Synthesis and supramolecular self-assembly of 5,10,15-tri(4-hydroxyphenyl)-20-(2-quinolyl) metalloporphyrins","CrystEngComm","2003","5","87","490","","10.1039/b314629d","","","0.71073","MoKα","","0.1044","0.0703","","","0.1712","0.179","","","","","","1.216","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216269","16.188","0.0004","19.606","0.0005","18.203","0.0005","90","","109.438","0.001","90","","5448","0.2","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C65 H46 N8 O10 Zn -","- C65 H46 N8 O10 Zn -","- C260 H184 N32 O40 Zn4 -","4","1","","Vinodu, Mikki; Goldberg, Israel","Porphyrin networks. Synthesis and supramolecular self-assembly of 5,10,15-tri(4-hydroxyphenyl)-20-(2-quinolyl) metalloporphyrins","CrystEngComm","2003","5","87","490","","10.1039/b314629d","","","0.71073","MoKα","","0.0733","0.0471","","","0.1158","0.1307","","","","","","1.006","","","","has coordinates,has disorder","180493","2020-10-21","18:00:00",""
"7216270","14.391","0.003","20.228","0.004","9.782","0.002","90","","91.96","0.03","90","","2845.9","1","293","2","100","1","","","","","","","","3","C 1 c 1","C -2yc","9","4,4-bis(4-hydroxyphenyl)cyclohexanone","4,4-bis(4-hydroxyphenyl)cyclohexanone","","- C18 H18 O3 -","- C18 H18 O3 -","- C144 H144 O24 -","8","2","","Aitipamula, Srinivasulu; Desiraju, Gautam R.; Jaskólski, Mariusz; Nangia, Ashwini; Thaimattam, Ram","Multiple molecules in the crystallographic asymmetric unit. Self host‒guest and doubly interpenetrated hydrogen bond networks in a pair of keto-bisphenols","CrystEngComm","2003","5","78","447","","10.1039/b312085f","","","0.71073","MoKα","","0.0421","0.0373","","","0.076","0.0779","","","","","","1.054","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216271","10.004","0.002","15.783","0.003","20.253","0.004","90","","94.79","0.03","90","","3186.6","1.1","293","2","100","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","4,4-bis(3-methyl-4-hydroxyphenyl)cyclohexanone","4,4-bis(3-methyl-4-hydroxyphenyl)cyclohexanone","","- C20 H22 O3 -","- C20 H22 O3 -","- C160 H176 O24 -","8","2","","Aitipamula, Srinivasulu; Desiraju, Gautam R.; Jaskólski, Mariusz; Nangia, Ashwini; Thaimattam, Ram","Multiple molecules in the crystallographic asymmetric unit. Self host‒guest and doubly interpenetrated hydrogen bond networks in a pair of keto-bisphenols","CrystEngComm","2003","5","78","447","","10.1039/b312085f","","","0.71073","MoKα","","0.1081","0.0697","","","0.1138","0.1263","","","","","","1.165","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216272","9.572","0.002","10.424","0.002","10.977","0.002","71.27","0.005","66.062","0.004","63.155","0.004","880.3","0.3","298","","298","","","","","","","","","5","P -1","-P 1","2","Rhodium(II) benzoate pyrazine","","","- C32.77 H24 N2 O9.54 Rh2 -","- C32.77 H24 N2 O9.54 Rh2 -","- C32.77 H24 N2 O9.54 Rh2 -","1","0.5","","Takamizawa, Satoshi; Nakata, Ei-ichi; Saito, Teruo; Kojima, Kenichi","Structural determination of physisorbed sites for CO2 and Ar gases inside an organometallic framework","CrystEngComm","2003","5","72","411","","10.1039/b312553j","","","0.71073","MoKα","","0.1047","0.0694","","","0.2009","0.2197","","","","","","1.14","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216273","9.588","0.002","10.322","0.003","10.861","0.003","72.139","0.005","64.783","0.005","62.722","0.005","856","0.4","298","","298","","","","","","","","","6","P -1","-P 1","2","rhodium benzoate pyrazine","","","- C32 H24 Ar1.12 N2 O8 Rh2 -","- C32 H24 Ar1.12 N2 O8 Rh2 -","- C32 H24 Ar1.12 N2 O8 Rh2 -","1","0.5","","Takamizawa, Satoshi; Nakata, Ei-ichi; Saito, Teruo; Kojima, Kenichi","Structural determination of physisorbed sites for CO2 and Ar gases inside an organometallic framework","CrystEngComm","2003","5","72","411","","10.1039/b312553j","","","0.71073","MoKα","","0.1149","0.0706","","","0.1725","0.2139","","","","","","1.018","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216274","11.3947","0.0002","15.7982","0.0004","18.4861","0.0005","91.028","0.001","99.107","0.001","93.377","0.002","3278.88","0.13","193","2","193","2","","","","","","","","4","P -1","-P 1","2","9-phenylfluoren-9-ol 4-methylcyclohexylamine clathrate","9-phenylfluoren-9-ol 4-methylcyclohexylamine clathrate","","- C26 H29 N O -","- C26 H29 N O -","- C156 H174 N6 O6 -","6","3","","Caira, Mino R.; Nassimbeni, Luigi R.; Su, Hong; Weber, Edwin","Temperature-dependent phase transition in a phenylfluorenol inclusion compound","CrystEngComm","2003","5","62","351","","10.1039/b310202e","","","0.7107","MoKα","","0.157","0.0671","","","0.2034","0.2601","","","","","","1.016","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216275","8.7451","0.0017","11.472","0.002","12.336","0.003","100.72","0.03","96.13","0.03","111.23","0.03","1112.8","0.5","297","2","297","2","","","","","","","","4","P -1","-P 1","2","9-phenylfluoren-9-ol 4-methylcyclohexylamine clathrate","9-phenylfluoren-9-ol 4-methylcyclohexylamine clathrate","","- C26 H29 N O -","- C26 H29 N O -","- C52 H58 N2 O2 -","2","1","","Caira, Mino R.; Nassimbeni, Luigi R.; Su, Hong; Weber, Edwin","Temperature-dependent phase transition in a phenylfluorenol inclusion compound","CrystEngComm","2003","5","62","351","","10.1039/b310202e","","","0.71073","MoKα","","0.0919","0.0588","","","0.1382","0.159","","","","","","1.032","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216276","19.763","0.009","13.835","0.004","10.175","0.004","90","","90","","90","","2782.1","1.9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-Phenyl imidazolium hydrogen cyclobutane-1,1-dicarboxylate 1","","","- C15 H16 N2 O4 -","- C15 H16 N2 O4 -","- C120 H128 N16 O32 -","8","1","","Trivedi, Darshak R.; Ballabh, Amar; Dastidar, Parthasarathi","Supramolecular assemblies in salts and co-crystals of imidazoles with dicarboxylic acids","CrystEngComm","2003","5","64","358","","10.1039/b309216j","","","0.7093","MoKα","","0.0773","0.0438","","","0.0963","0.1069","","","","","","0.952","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216277","7.231","0.002","8.296","0.004","9.235","0.004","115.97","0.03","102.84","0.03","91.74","0.03","480.4","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","imidazolium hydrogen malonate 2","","","- C6 H7 N2 O5.57 -","- C6 H7 N2 O5.57 -","- C12 H14 N4 O11.14 -","2","1","","Trivedi, Darshak R.; Ballabh, Amar; Dastidar, Parthasarathi","Supramolecular assemblies in salts and co-crystals of imidazoles with dicarboxylic acids","CrystEngComm","2003","5","64","358","","10.1039/b309216j","","","0.7093","MoKα","","0.1112","0.1053","","","0.2814","0.2902","","","","","","1.073","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216278","9.639","0.002","5.083","0.003","23.066","0.006","90","","106.817","0.019","90","","1081.8","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Benzimidazole / succinic acid (1:1) cocrystal 3","","","- C11 H9.5 N2 O4 -","- C11 H9.5 N2 O4 -","- C44 H38 N8 O16 -","4","1","","Trivedi, Darshak R.; Ballabh, Amar; Dastidar, Parthasarathi","Supramolecular assemblies in salts and co-crystals of imidazoles with dicarboxylic acids","CrystEngComm","2003","5","64","358","","10.1039/b309216j","","","0.7093","MoKα","","0.0869","0.0499","","","0.1344","0.1454","","","","","","0.995","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216279","10.157","0.004","5.13","0.007","26.067","0.006","90","","90.98","0.04","90","","1358","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Benzimidazole / isophthalic acid (1:1) cocrystal 4","","","- C15 H10 N2 O4 -","- C15 H10 N2 O4 -","- C60 H40 N8 O16 -","4","1","","Trivedi, Darshak R.; Ballabh, Amar; Dastidar, Parthasarathi","Supramolecular assemblies in salts and co-crystals of imidazoles with dicarboxylic acids","CrystEngComm","2003","5","64","358","","10.1039/b309216j","","","0.7093","MoKα","","0.0929","0.0741","","","0.1925","0.2045","","","","","","1.042","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216280","3.824","0.001","9.108","0.001","22.252","0.002","90","","91.263","0.005","90","","774.8","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","4-formylcoumarin","4-formylcoumarin","","- C10 H6 O3 -","- C10 H6 O3 -","- C40 H24 O12 -","4","1","","Moorthy, J. Narasimha; Venkatakrishnan, P.; Singh, Ashutosh S.","Molecular self-assembly: 4-formylcoumarins as versatile skeletons for complementary multipoint association via weak (C?H?O, C?H?F and C?X?O?C) interactions","CrystEngComm","2003","5","92","507","","10.1039/b315065h","","","0.71069","MoKα","","0.1192","0.0592","","","0.149","0.1762","","","","","","1.025","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216281","7.098","0.001","8.58","0.001","14.328","0.002","90","","97.913","0.005","90","","864.3","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","6-Chloro-4-formylcoumarin","6-Chloro-4-formylcoumarin","","- C10 H5 Cl O3 -","- C10 H5 Cl O3 -","- C40 H20 Cl4 O12 -","4","1","","Moorthy, J. Narasimha; Venkatakrishnan, P.; Singh, Ashutosh S.","Molecular self-assembly: 4-formylcoumarins as versatile skeletons for complementary multipoint association via weak (C?H?O, C?H?F and C?X?O?C) interactions","CrystEngComm","2003","5","92","507","","10.1039/b315065h","","","0.71069","MoKα","","0.0392","0.0281","","","0.0756","0.0808","","","","","","1.043","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216282","7.984","0.002","5.939","0.001","18.452","0.002","90","","101.333","0.005","90","","857.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","7-Chloro-4-formylcoumarin","7-Chloro-4-formylcoumarin","","- C10 H5 Cl O3 -","- C10 H5 Cl O3 -","- C40 H20 Cl4 O12 -","4","1","","Moorthy, J. Narasimha; Venkatakrishnan, P.; Singh, Ashutosh S.","Molecular self-assembly: 4-formylcoumarins as versatile skeletons for complementary multipoint association via weak (C?H?O, C?H?F and C?X?O?C) interactions","CrystEngComm","2003","5","92","507","","10.1039/b315065h","","","0.71069","MoKα","","0.1763","0.0582","","","0.1091","0.1393","","","","","","1.004","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216283","8.122","0.001","10.216","0.001","10.709","0.002","90","","92.753","0.005","90","","887.5","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","7-bromo-4-formylcoumarin","7-bromo-4-formylcoumarin","","- C10 H5 Br O3 -","- C10 H5 Br O3 -","- C40 H20 Br4 O12 -","4","1","","Moorthy, J. Narasimha; Venkatakrishnan, P.; Singh, Ashutosh S.","Molecular self-assembly: 4-formylcoumarins as versatile skeletons for complementary multipoint association via weak (C?H?O, C?H?F and C?X?O?C) interactions","CrystEngComm","2003","5","92","507","","10.1039/b315065h","","","0.71069","MoKα","","0.0698","0.0417","","","0.1035","0.1124","","","","","","1.026","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216284","6.115","0.002","8.082","0.002","16.33","0.005","90","","94.23","0.01","90","","804.9","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","6-Fluoro-4-formylcoumarin","6-Fluoro-4-formylcoumarin","","- C10 H5 F O3 -","- C10 H5 F O3 -","- C40 H20 F4 O12 -","4","1","","Moorthy, J. Narasimha; Venkatakrishnan, P.; Singh, Ashutosh S.","Molecular self-assembly: 4-formylcoumarins as versatile skeletons for complementary multipoint association via weak (C?H?O, C?H?F and C?X?O?C) interactions","CrystEngComm","2003","5","92","507","","10.1039/b315065h","","","0.71069","MoKα","","0.1088","0.0597","","","0.1563","0.1782","","","","","","1.046","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216285","5.746","0.001","8.552","0.001","9.212","0.002","113.792","0.003","102.163","0.003","93.126","0.003","399.95","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","7-Fluoro-4-formylcoumarin","7-Fluoro-4-formylcoumarin","","- C10 H5 F O3 -","- C10 H5 F O3 -","- C20 H10 F2 O6 -","2","1","","Moorthy, J. Narasimha; Venkatakrishnan, P.; Singh, Ashutosh S.","Molecular self-assembly: 4-formylcoumarins as versatile skeletons for complementary multipoint association via weak (C?H?O, C?H?F and C?X?O?C) interactions","CrystEngComm","2003","5","92","507","","10.1039/b315065h","","x-ray","0.71073","MoKα","","0.1256","0.0585","","","0.1391","0.1611","","","","","","1.01","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216286","9.6509","0.0012","16.0236","0.0019","21.118","0.003","110.872","0.002","95.888","0.003","97.949","0.002","2981.1","0.7","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C69 H88.5 N1.5 O6 -","- C69 H88.5 N1.5 O6 -","- C138 H177 N3 O12 -","2","1","","Dale, Sophie H.; Elsegood, Mark R. J.; Redshaw, Carl","Polymorphism and pseudopolymorphism in calixarenes: acetonitrile clathrates of p-But-calix[n]arenes (n = 6 and 8)","CrystEngComm","2003","5","65","368","","10.1039/b308407h","","","0.71073","MoKα","","0.2246","0.0614","","","0.1074","0.1658","","","","","","0.835","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7216287","13.938","0.0009","16.9178","0.0011","27.9606","0.0018","90","","99.621","0.002","90","","6500.4","0.7","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C70 H90 N2 O6 -","- C70 H90 N2 O6 -","- C280 H360 N8 O24 -","4","1","","Dale, Sophie H.; Elsegood, Mark R. J.; Redshaw, Carl","Polymorphism and pseudopolymorphism in calixarenes: acetonitrile clathrates of p-But-calix[n]arenes (n = 6 and 8)","CrystEngComm","2003","5","65","368","","10.1039/b308407h","","","0.71073","MoKα","","0.156","0.0606","","","0.1304","0.1945","","","","","","1.038","","","","has coordinates,has disorder","180493","2020-10-21","18:00:00",""
"7216288","38.419","0.002","21.8067","0.0014","21.1486","0.0013","90","","92.251","0.002","90","","17704.4","1.8","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C96 H124 N4 O8 -","- C95.995 H121 N4 O8 -","- C767.96 H968 N32 O64 -","8","1","","Dale, Sophie H.; Elsegood, Mark R. J.; Redshaw, Carl","Polymorphism and pseudopolymorphism in calixarenes: acetonitrile clathrates of p-But-calix[n]arenes (n = 6 and 8)","CrystEngComm","2003","5","65","368","","10.1039/b308407h","","","0.71073","MoKα","","0.1669","0.0694","","","0.1635","0.2365","","","","","","1.041","","","","has coordinates,has disorder","180493","2020-10-21","18:00:00",""
"7216289","20.1552","0.0009","22.9575","0.001","19.7543","0.0009","90","","112.455","0.002","90","","8447.5","0.7","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C92 H118 N2 O8 -","- C91 H112 N1.5 O8 -","- C364 H448 N6 O32 -","4","1","","Dale, Sophie H.; Elsegood, Mark R. J.; Redshaw, Carl","Polymorphism and pseudopolymorphism in calixarenes: acetonitrile clathrates of p-But-calix[n]arenes (n = 6 and 8)","CrystEngComm","2003","5","65","368","","10.1039/b308407h","","","0.71073","MoKα","","0.0831","0.0568","","","0.1629","0.1783","","","","","","1.134","","","","has coordinates,has disorder","180493","2020-10-21","18:00:00",""
"7216290","6.3603","0.0001","7.8252","0.0002","23.533","0.0005","90","","90","","90","","1171.25","0.04","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 N O5 -","- C12 H13 N O5 -","- C48 H52 N4 O20 -","4","1","","Grosshans, Philippe; Jouaiti, Abdelaziz; Bulach, V�ronique; Planeix, Jean-Marc; Hosseini, Mir Wais; Nicoud, Jean-Fran�ois","Molecular tectonics: design of enantiomerically pure single-stranded helical H-bonded molecular networks","CrystEngComm","2003","5","73","414","","10.1039/b312172k","","","0.71073","Mo-Kα","","0.055","0.038","","0.064","","0.056","","","1.248","","","1.092","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7216291","7.7049","0.0003","6.3055","0.0004","12.133","0.0008","90","","98.964","0.004","90","","582.26","0.06","173","","","","","","","","","","Local laboratory","4","P 1 21 1","P 2yb","4","","","","- C12 H13 N O5 -","- C12 H13 N O5 -","- C24 H26 N2 O10 -","2","1","","Grosshans, Philippe; Jouaiti, Abdelaziz; Bulach, V�ronique; Planeix, Jean-Marc; Hosseini, Mir Wais; Nicoud, Jean-Fran�ois","Molecular tectonics: design of enantiomerically pure single-stranded helical H-bonded molecular networks","CrystEngComm","2003","5","73","414","","10.1039/b312172k","","","0.71073","MoKα","","0.0541","0.039","","","0.0816","0.0882","","","","","","1.024","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216292","12.4638","0.0012","11.6208","0.0012","26.636","0.003","90","","90","","90","","3857.9","0.7","300","2","300","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H19 N5 O2 -","- C21 H19 N5 O2 -","- C168 H152 N40 O16 -","8","1","","Moon, Kwangyul; Chen, Wei-Zhong; Ren, Tong; Kaifer, Angel E.","A unique hydrogen bonding network in the crystal structure of 3a,6a-diphenylglycolurilElectronic Supplementary Information (ESI) available: Crystallographic information for compound 2: Tables 1?6. See http://www.rsc.org/suppdata/ce/b3/b313267f/","CrystEngComm","2003","5","79","451","","10.1039/b313267f","","","0.71073","MoKα","","0.1009","0.0524","","","0.1343","0.1658","","","","","","1.038","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216293","8.7863","0.0006","8.9879","0.0006","12.6434","0.0009","96.415","0.001","90.783","0.001","108.94","0.001","937.16","0.11","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H22 N4 O2 -","- C20 H22 N4 O2 -","- C40 H44 N8 O4 -","2","1","","Moon, Kwangyul; Chen, Wei-Zhong; Ren, Tong; Kaifer, Angel E.","A unique hydrogen bonding network in the crystal structure of 3a,6a-diphenylglycolurilElectronic Supplementary Information (ESI) available: Crystallographic information for compound 2: Tables 1?6. See http://www.rsc.org/suppdata/ce/b3/b313267f/","CrystEngComm","2003","5","79","451","","10.1039/b313267f","","","0.71073","MoKα","","0.0644","0.051","","","0.1485","0.1556","","","","","","1.002","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216294","19.075","0.0018","19.075","0.0018","8.537","0.0008","90","","90","","90","","3106.2","0.5","293","2","293","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C18 H17 N O2.25 -","- C18 H17 N O2.25 -","- C144 H136 N8 O18 -","8","1","","Szczȩsna, Beata; Urbanczyk-Lipkowska, Zofia","Engineering anthracene-based binary systems dedicated for reactions in non-solvent conditions","CrystEngComm","2003","5","67","385","387","10.1039/b311389m","","","1.54178","CuKα","","0.0779","0.0623","","","0.1632","0.1793","","","","","","0.922","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216295","21.3642","0.0006","18.856","0.0009","8.7764","0.0006","90","","90","","90","","3535.5","0.3","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C20 H21 N O3 -","- C20 H21 N O3 -","- C160 H168 N8 O24 -","8","1","","Szczȩsna, Beata; Urbanczyk-Lipkowska, Zofia","Engineering anthracene-based binary systems dedicated for reactions in non-solvent conditions","CrystEngComm","2003","5","67","385","387","10.1039/b311389m","","","1.54178","CuKα","","0.0782","0.0782","","","0.2078","0.2078","","","","","","1.344","","","","has coordinates,has disorder","180493","2020-10-21","18:00:00",""
"7216296","16.758","0.004","11.135","0.003","17.341","0.004","90","","100.395","0.003","90","","3182.7","1.4","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 Cu N2 O6.5 -","- C14 H14 Cu N2 O6.5 -","- C112 H112 Cu8 N16 O52 -","8","1","","Conerney, Brian; Jensen, Paul; Kruger, Paul E.; Moubaraki, Boujemaa; Murray, Keith S.","Synthesis and structural characterisation of two coordination polymers (molecular ladders) incorporating [M(OAc)2]2 secondary building units and 4,4?-bipyridine [M = Cu(ii), Zn(ii)]","CrystEngComm","2003","5","80","454","","10.1039/b311278k","","","0.71073","MoKα","","0.0842","0.0641","","","0.1501","0.1562","","","","","","1.223","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216297","7.942","0.003","9.106","0.003","10.593","0.003","109.296","0.004","99.716","0.004","101.034","0.004","687.1","0.4","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H14 N2 O4 Zn -","- C14 H14 N2 O4 Zn -","- C28 H28 N4 O8 Zn2 -","2","1","","Conerney, Brian; Jensen, Paul; Kruger, Paul E.; Moubaraki, Boujemaa; Murray, Keith S.","Synthesis and structural characterisation of two coordination polymers (molecular ladders) incorporating [M(OAc)2]2 secondary building units and 4,4?-bipyridine [M = Cu(ii), Zn(ii)]","CrystEngComm","2003","5","80","454","","10.1039/b311278k","","","0.71073","MoKα","","0.0733","0.0582","","","0.1338","0.1402","","","","","","0.977","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216298","10.329","0.002","29.76","0.006","14.688","0.003","90","","108.28","0.03","90","","4287.1","1.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H48 N11 O16 Ru2 Sm -","- C27 H16 N11 O16 Ru2 Sm -","- C108 H64 N44 O64 Ru8 Sm4 -","4","1","","Miller, Thomas A.; Jeffery, John C.; Ward, Michael D.","The crystal structure of [Sm(H2O)5][Ru2(bpy)2(CN)7]�11H2O, a novel mixed d?f coordination polymer","CrystEngComm","2003","5","88","495","","10.1039/b313122j","","","0.71073","MoKα","","0.0692","0.0596","","","0.1432","0.15","","","","","","1.141","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216299","11.011","0.003","13.105","0.003","6.789","0.001","90","","103.57","0.04","90","","952.3","0.4","293","","293","","","","","","","","","3","C 1 2/m 1","-C 2y","12","Fluorene-tetracianoquinodimethane complex","","","- C25 H14 N4 -","- C25 H16 N4 -","- C50 H32 N8 -","2","0.25","","Arrais, Aldo; Boccaleri, Enrico; Croce, Gianluca; Milanesio, Marco; Orlando, Roberto; Diana, Eliano","Synthesis, structural and spectroscopic study of the donor?acceptor complexes between fluorene and D2h cyano molecular building blocksElectronic supplementary information (ESI) available: The 6 model structures 1a, 1b, 2a, 2b, 3a and 3b after periodic full geometry optimisation have been submitted in MOLDRAW format. See http://www.rsc.org/suppdata/ce/b3/b308380b/","CrystEngComm","2003","5","68","388","","10.1039/b308380b","","","0.71069","MoKα","","0.0645","0.0582","","","0.1668","0.1726","","","","","","1.009","","","","has coordinates,has disorder","180493","2020-10-21","18:00:00",""
"7216300","7.416","0.009","8.074","0.009","8.118","0.009","106.13","0.02","93.94","0.02","91.53","0.02","465.3","0.9","293","","293","","","","","","","","","3","P -1","-P 1","2","Fluorene-tetracyanobenzene complex","","","- C23 H12 N4 -","- C23 H10 N4 -","- C23 H10 N4 -","1","0.5","","Arrais, Aldo; Boccaleri, Enrico; Croce, Gianluca; Milanesio, Marco; Orlando, Roberto; Diana, Eliano","Synthesis, structural and spectroscopic study of the donor?acceptor complexes between fluorene and D2h cyano molecular building blocksElectronic supplementary information (ESI) available: The 6 model structures 1a, 1b, 2a, 2b, 3a and 3b after periodic full geometry optimisation have been submitted in MOLDRAW format. See http://www.rsc.org/suppdata/ce/b3/b308380b/","CrystEngComm","2003","5","68","388","","10.1039/b308380b","","","0.71073","MoKα","","0.186","0.1381","","","0.35","0.3893","","","","","","1.025","","","","has coordinates,has disorder","180494","2020-10-21","18:00:00",""
"7216301","7.183","0.004","7.3","0.004","8.194","0.005","95.24","0.01","94.27","0.01","114.63","0.01","385.9","0.4","293","","293","2","","","","","","","","3","P -1","-P 1","2","Fluorene-Tetracyanoethilene complex","","","- C19 H10 N4 -","- C19 H8 N4 -","- C19 H8 N4 -","1","0.5","","Arrais, Aldo; Boccaleri, Enrico; Croce, Gianluca; Milanesio, Marco; Orlando, Roberto; Diana, Eliano","Synthesis, structural and spectroscopic study of the donor?acceptor complexes between fluorene and D2h cyano molecular building blocksElectronic supplementary information (ESI) available: The 6 model structures 1a, 1b, 2a, 2b, 3a and 3b after periodic full geometry optimisation have been submitted in MOLDRAW format. See http://www.rsc.org/suppdata/ce/b3/b308380b/","CrystEngComm","2003","5","68","388","","10.1039/b308380b","","","0.71069","MoKα","","0.1857","0.1203","","","0.2895","0.3342","","","","","","1.084","","","","has coordinates,has disorder","180494","2020-10-21","18:00:00",""
"7216302","13.683","0.004","13.897","0.004","14.413","0.005","64.7","0.03","82.12","0.02","67.52","0.03","2288.4","1.5","294","","","","","","","","","","","5","P -1","-P 1","2","","","","- C49.5 H30.5 Br8 F1.5 N4 -","- C49.5 H30.5 Br8 F1.5 N4 -","- C99 H61 Br16 F3 N8 -","2","1","","Rahman, A. Noman M. M.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Analysis of pi?halogen dimer interactions present in a family of staircase inclusion compounds","CrystEngComm","2003","5","75","422","","10.1039/b312062g","","","0.71073","MoKα","","","0.055","","","","0.06","","","","","","1.64","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216303","11.474","0.0011","11.5821","0.0014","10.965","0.0014","90","","106.67","0.018","90","","1395.9","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 Cl Cu N2 O4 -","- C28 H24 Cl2 Cu2 N4 O8 -","- C56 H48 Cl4 Cu4 N8 O16 -","2","0.25","","Robin, Adeline Y.; Fromm, Katharina M.; Goesmann, Helmut; Bernardinelli, G�rald","Structural relationship of two coordination polymers of Cu(i) with the ligand ethanediyl bis(isonicotinate)Electronic supplementary information (ESI) available: Selected crystal data, views of 2, and colour pictures of Fig. 3c and d. See http://www.rsc.org/suppdata/ce/b3/b309410c/","CrystEngComm","2003","5","71","405","","10.1039/b309410c","","","0.71073","MoKα","","0.0617","0.0467","","","0.1147","0.1221","","","","","","0.99","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216304","6.9874","0.001","11.7096","0.0019","11.8247","0.0017","112.339","0.017","96.728","0.017","102.93","0.018","850","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H32 Cl2 Cu2 N4 O9 -","- C32 H32 Cl2 Cu2 N4 O9 -","- C32 H32 Cl2 Cu2 N4 O9 -","1","0.5","","Robin, Adeline Y.; Fromm, Katharina M.; Goesmann, Helmut; Bernardinelli, G�rald","Structural relationship of two coordination polymers of Cu(i) with the ligand ethanediyl bis(isonicotinate)Electronic supplementary information (ESI) available: Selected crystal data, views of 2, and colour pictures of Fig. 3c and d. See http://www.rsc.org/suppdata/ce/b3/b309410c/","CrystEngComm","2003","5","71","405","","10.1039/b309410c","","","0.71073","MoKα","","0.0525","0.0328","","","0.08","0.0879","","","","","","0.785","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216305","6.9688","0.0011","10.6469","0.0014","8.8115","0.0014","90","","109.047","0.018","90","","617.99","0.17","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N2 O4 -","- C14 H12 N2 O4 -","- C28 H24 N4 O8 -","2","0.5","","Robin, Adeline Y.; Fromm, Katharina M.; Goesmann, Helmut; Bernardinelli, G�rald","Structural relationship of two coordination polymers of Cu(i) with the ligand ethanediyl bis(isonicotinate)Electronic supplementary information (ESI) available: Selected crystal data, views of 2, and colour pictures of Fig. 3c and d. See http://www.rsc.org/suppdata/ce/b3/b309410c/","CrystEngComm","2003","5","71","405","","10.1039/b309410c","","","0.71073","MoKα","","0.0589","0.0371","","","0.0926","0.0983","","","","","","0.884","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216306","12.893","0.005","11.621","0.004","19.044","0.007","90","","90","","90","","2853.4","1.8","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C8 H14 B Cu F4 N2 S2 -","- C8 H14 B Cu F4 N2 S2 -","- C64 H112 B8 Cu8 F32 N16 S16 -","8","1","","Knaust, Jacqueline M.; Keller, Steven W.","Supermolecular coordination isomers: synthesis and crystal structures of four new one-dimensional copper(i) coordination polymers with 1,3-dithiane","CrystEngComm","2003","5","81","459","","10.1039/b310360a","","","0.71073","MoKα","","0.04","0.029","","","0.0941","0.1057","","","","","","0.815","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216307","6.671","0.002","16.939","0.008","12.941","0.004","90","","93.88","0.03","90","","1459","0.9","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C16 H28 B2 Cu2 F8 N4 S4 -","- C16 H28 B2 Cu2 F8 N4 S4 -","- C32 H56 B4 Cu4 F16 N8 S8 -","2","1","","Knaust, Jacqueline M.; Keller, Steven W.","Supermolecular coordination isomers: synthesis and crystal structures of four new one-dimensional copper(i) coordination polymers with 1,3-dithiane","CrystEngComm","2003","5","81","459","","10.1039/b310360a","","","0.7107","MoKα","","0.0451","0.0395","","","0.1021","0.1057","","","","","","1.063","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216308","6.6496","0.0008","14.856","0.0017","17.325","0.002","90","","90","","90","","1711.5","0.3","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C10 H19 B Cu F4 N S4 -","- C10 H19 B Cu F4 N S4 -","- C40 H76 B4 Cu4 F16 N4 S16 -","4","1","","Knaust, Jacqueline M.; Keller, Steven W.","Supermolecular coordination isomers: synthesis and crystal structures of four new one-dimensional copper(i) coordination polymers with 1,3-dithiane","CrystEngComm","2003","5","81","459","","10.1039/b310360a","","","0.71073","MoKα","","0.0493","0.0394","","","0.1091","0.1161","","","","","","0.848","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216309","12.1164","0.0017","16.379","0.002","19.486","0.003","90","","90","","90","","3867.1","0.9","173","2","173","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C19 H35 B3 Cl2 Cu3 F12 N3 S6 -","- C19 H35 B3 Cl2 Cu3 F12 N3 S6 -","- C76 H140 B12 Cl8 Cu12 F48 N12 S24 -","4","1","","Knaust, Jacqueline M.; Keller, Steven W.","Supermolecular coordination isomers: synthesis and crystal structures of four new one-dimensional copper(i) coordination polymers with 1,3-dithiane","CrystEngComm","2003","5","81","459","","10.1039/b310360a","","","0.71073","MoKα","","0.0974","0.0572","","","0.142","0.1621","","","","","","1.028","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"7216310","12.068","0.0002","15.433","0.0004","12.198","0.0003","90","","116.816","0.001","90","","2027.51","0.08","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C14 H21 Br N6 Ni O4 S2 -","- C14 H21 Br N6 Ni O4 S2 -","- C56 H84 Br4 N24 Ni4 O16 S8 -","4","1","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Pritchard, Leigh S.","Disorder within dicarboxylates and supramolecular structural control in hydrogen-bonded networks","CrystEngComm","2003","5","63","355","","10.1039/b309884b","","","0.71073","MoKα","","0.0815","0.0527","","","0.1356","0.149","","","","","","1.152","","","","has coordinates,has disorder","180494","2020-10-21","18:00:00",""
"7216311","22.503","0.0013","9.465","0.0008","15.654","0.0012","90","","129.956","0.003","90","","2555.8","0.3","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H31 Br N6 O5 S2 Zn -","- C18 H31 Br N6 O5 S2 Zn -","- C72 H124 Br4 N24 O20 S8 Zn4 -","4","0.5","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Pritchard, Leigh S.","Disorder within dicarboxylates and supramolecular structural control in hydrogen-bonded networks","CrystEngComm","2003","5","63","355","","10.1039/b309884b","","","0.71073","MoKα","","0.1284","0.0934","","","0.2183","0.2359","","","","","","1.152","","","","has coordinates,has disorder","180494","2020-10-21","18:00:00",""
"7216312","10.726","0.002","9.0275","0.0013","18.333","0.007","90","","97.24","0.02","90","","1761","0.8","293","2","293","2","","","","","","","From LKF","6","P 1 21/a 1","-P 2yab","14","benzthiazide-anhydrate","6-chloro-3[[(phenylmethyl)thio]ethyl]4H-1,2,4-benzthothiadiazine- 7-sulfonamide-1,1-dioxide","","- C15 H14 Cl N3 O4 S3 -","- C15 H14 Cl N3 O4 S3 -","- C60 H56 Cl4 N12 O16 S12 -","4","1","","Prabakaran, Ponraj; Umadevi, Balakrishnan; Panneerselvam, Pathus; Muthiah, Packianathan Thomas; Bocelli, Gabriele; Righi, Lara","Conformational pseudo-polymorphism and hydrogen bonding: benzthiazide anhydrate and monohydrate, an antihypertensive drug","CrystEngComm","2003","5","86","487","","10.1039/b312815f","","","0.71069","MoKα","","0.064","0.0589","","0.1701","0.1642","","","","1.077","1.113","1.113","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7216313","12.243","0.002","4.905","0.002","31.957","0.003","90","","96.34","0.03","90","","1907.3","0.9","293","2","293","2","","","","","","","From LKF","6","P 1 21 1","P 2yb","4","benzthiazide-monohydrate","6-chloro-3[[(phenylmethyl)thio]ethyl]4H-1,2,4-benzthothiadiazine- 7-sulfonamide-1,1-dioxide monohydrate","","- C15 H16 Cl N3 O5 S3 -","- C15 H16 Cl N3 O5 S3 -","- C60 H64 Cl4 N12 O20 S12 -","4","2","","Prabakaran, Ponraj; Umadevi, Balakrishnan; Panneerselvam, Pathus; Muthiah, Packianathan Thomas; Bocelli, Gabriele; Righi, Lara","Conformational pseudo-polymorphism and hydrogen bonding: benzthiazide anhydrate and monohydrate, an antihypertensive drug","CrystEngComm","2003","5","86","487","","10.1039/b312815f","","","1.54178","CuKα","","0.1084","0.055","","","0.1239","0.1443","","","","","","0.883","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216314","13.1148","0.0008","4.6992","0.0002","12.8071","0.0005","90","","107.9","0.001","90","","751.08","0.06","143","2","143","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H7 Li O4 -","- C7 H7 Li O4 -","- C28 H28 Li4 O16 -","4","1","","Wiesbrock, Frank; Schmidbaur, Hubert","Lithium salicylate monohydrate: A layer structure with carboxylate-bridged ?- and ?-[(H2O)Li+]? helices","CrystEngComm","2003","5","90","503","","10.1039/b312892j","","","0.71073","MoKα","","0.0481","0.0438","","","0.1145","0.1185","","","","","","1.044","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216315","3.8233","0.0007","8.6525","0.0015","17.748","0.003","90","","91.562","0.004","90","","586.91","0.18","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","catena-(bis(mu-chloro)-bis(pyridine)-cadmium(ii)) (Compound 1)","catena-[bis(μ-chloro)-bis(pyridine)-cadmium(ii)] (Compound 1)","","- C10 H10 Cd Cl2 N2 -","- C10 H10 Cd Cl2 N2 -","- C20 H20 Cd2 Cl4 N4 -","2","0.5","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0274","0.0219","","","0.0483","0.0496","","","","","","1.04","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216316","8.649","0.003","18.159","0.007","3.9182","0.0014","90","","90","","90","","615.4","0.4","293","2","293","2","","","","","","","","5","P n n m","-P 2 2n","58","catena-(bis(mu-bromo)-bis(pyridine)-cadmium(ii)) (Compound 2)","catena-[bis(μ-bromo)-bis(pyridine)-cadmium(ii)] (Compound 2)","","- C10 H10 Br2 Cd N2 -","- C10 H10 Br2 Cd N2 -","- C20 H20 Br4 Cd2 N4 -","2","0.25","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0461","0.0357","","","0.0816","0.0853","","","","","","1.111","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216317","8.848","0.004","17.79","0.007","18.666","0.008","90","","90","","90","","2938","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","(bis(iodo)-bis(pyridine)-cadmium(ii)) (Compound 3, RT dataset, 3a)","[bis(iodo)-bis(pyridine)-cadmium(ii)] (Compound 3, RT dataset, 3a)","","- C10 H10 Cd I2 N2 -","- C10 H10 Cd I2 N2 -","- C80 H80 Cd8 I16 N16 -","8","1","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0851","0.0401","","","0.0755","0.0886","","","","","","1.029","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216318","8.7603","0.0019","17.436","0.004","18.581","0.004","90","","90","","90","","2838.1","1.1","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","(bis(iodo)-bis(pyridine)-cadmium(ii)) (Compound 3, 120K dataset, 3b)","[bis(iodo)-bis(pyridine)-cadmium(ii)] (Compound 3, 120K dataset, 3b)","","- C10 H10 Cd I2 N2 -","- C10 H10 Cd I2 N2 -","- C80 H80 Cd8 I16 N16 -","8","1","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0395","0.0317","","","0.0788","0.082","","","","","","1.138","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216319","3.8116","0.0005","14.2606","0.0019","11.989","0.0016","90","","91.767","0.004","90","","651.36","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","catena-(bis(mu-chloro)-bis(3-chloropyridine)-cadmium(ii)) (Compound 4)","catena-[bis(μ-chloro)-bis(3-chloropyridine)-cadmium(ii)] (Compound 4)","","- C10 H8 Cd Cl4 N2 -","- C10 H8 Cd Cl4 N2 -","- C20 H16 Cd2 Cl8 N4 -","2","0.5","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0557","0.0463","","","0.1006","0.1044","","","","","","1.188","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216320","3.9079","0.001","14.392","0.004","12.238","0.003","90","","90.895","0.007","90","","688.2","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","catena-(bis(mu-bromo)-bis(3-chloropyridine)-cadmium(ii)) (Compound 5)","catena-[bis(μ-bromo)-bis(3-chloropyridine)-cadmium(ii)] (Compound 5)","","- C10 H8 Br2 Cd Cl2 N2 -","- C10 H8 Br2 Cd Cl2 N2 -","- C20 H16 Br4 Cd2 Cl4 N4 -","2","0.5","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0725","0.0509","","","0.0817","0.0877","","","","","","1.085","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216321","4.1332","0.0018","14.45","0.006","12.977","0.006","90","","89.63","0.01","90","","775","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","catena-(bis(mu-iodo)-bis(3-chloropyridine)-cadmium(ii)) (Compound 6)","catena-[bis(μ-iodo)-bis(3-chloropyridine)-cadmium(ii)] (Compound 6)","","- C10 H8 Cd Cl2 I2 N2 -","- C10 H8 Cd Cl2 I2 N2 -","- C20 H16 Cd2 Cl4 I4 N4 -","2","0.5","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0303","0.0266","","","0.0587","0.0603","","","","","","1.097","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216322","3.8538","0.0008","14.404","0.003","12.082","0.002","90","","91.377","0.005","90","","670.5","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","catena-(bis(mu-chloro)-bis(3-bromopyridine)-cadmium(ii)) (Compound 7)","catena-[bis(μ-chloro)-bis(3-bromopyridine)-cadmium(ii)] (Compound 7)","","- C10 H8 Br2 Cd Cl2 N2 -","- C10 H8 Br2 Cd Cl2 N2 -","- C20 H16 Br4 Cd2 Cl4 N4 -","2","0.5","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.041","0.0294","","","0.0621","0.0658","","","","","","0.987","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216323","3.9452","0.0014","14.578","0.005","12.286","0.004","90","","91.029","0.008","90","","706.5","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","catena-(bis(mu-bromo)-bis(3-bromopyridine)-cadmium(ii)) (Compound 8)","catena-[bis(μ-bromo)-bis(3-bromopyridine)-cadmium(ii)] (Compound 8)","","- C10 H8 Br4 Cd N2 -","- C10 H8 Br4 Cd N2 -","- C20 H16 Br8 Cd2 N4 -","2","0.5","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.027","0.0232","","","0.0539","0.0554","","","","","","1.132","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216324","4.1429","0.0007","14.657","0.003","12.946","0.002","90","","90.162","0.004","90","","786.1","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","catena-(bis(mu-iodo)-bis(3-bromopyridine)-cadmium(ii)) (Compound 9)","catena-[bis(μ-iodo)-bis(3-bromopyridine)-cadmium(ii)] (Compound 9)","","- C10 H8 Br2 Cd I2 N2 -","- C10 H8 Br2 Cd I2 N2 -","- C20 H16 Br4 Cd2 I4 N4 -","2","0.5","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0302","0.0274","","","0.0629","0.0637","","","","","","1.103","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216325","3.8726","0.0005","14.613","0.002","11.8992","0.0017","90","","92.449","0.003","90","","672.76","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","catena-(bis(mu-chloro)-bis(3-methylpyridine)-cadmium(ii)) (Compound 10)","catena-[bis(μ-chloro)-bis(3-methylpyridine)-cadmium(ii)] (Compound 10)","","- C12 H14 Cd Cl2 N2 -","- C12 H14 Cd Cl2 N2 -","- C24 H28 Cd2 Cl4 N4 -","2","0.5","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0443","0.0301","","","0.0638","0.0678","","","","","","1.012","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216326","3.98","0.0006","14.738","0.002","12.1051","0.0017","90","","91.971","0.003","90","","709.63","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","catena-(bis(mu-bromo)-bis(3-methylpyridine)-cadmium(ii)) (Compound 11)","catena-[bis(μ-bromo)-bis(3-methylpyridine)-cadmium(ii)] (Compound 11)","","- C12 H14 Br2 Cd N2 -","- C12 H14 Br2 Cd N2 -","- C24 H28 Br4 Cd2 N4 -","2","0.5","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0385","0.0284","","","0.064","0.0672","","","","","","1.001","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216327","9.6737","0.0015","15.49","0.002","11.392","0.0019","90","","100.329","0.003","90","","1679.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(bis(iodo)-bis(3-methylpyridine)-cadmium(ii)) (Compound 12, RT dataset, 12a)","[bis(iodo)-bis(3-methylpyridine)-cadmium(ii)] (Compound 12, RT dataset, 12a)","","- C12 H14 Cd I2 N2 -","- C12 H14 Cd I2 N2 -","- C48 H56 Cd4 I8 N8 -","4","1","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.049","0.0369","","","0.092","0.0978","","","","","","1.028","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216328","9.5708","0.0015","15.222","0.002","11.348","0.0018","90","","100.122","0.003","90","","1627.5","0.4","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(bis(iodo)-bis(3-methylpyridine)-cadmium(ii)) (Compound 12, 120K dataset, 12b)","[bis(iodo)-bis(3-methylpyridine)-cadmium(ii)] (Compound 12, 120K dataset, 12b)","","- C12 H14 Cd I2 N2 -","- C12 H14 Cd I2 N2 -","- C48 H56 Cd4 I8 N8 -","4","1","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0261","0.0222","","","0.0506","0.0521","","","","","","1.065","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216329","11.796","0.003","12.084","0.003","3.7716","0.0009","90","","90","","90","","537.6","0.2","120","2","120","2","","","","","","","","5","P b a n :2","-P 2ab 2b","50","net-(bis(mu-chloro)-(mu-4,4'-bipyridyl)-cadmium(ii)) (Compound 13, 120K data)","net-[bis(μ-chloro)-(μ-4,4'-bipyridyl)-cadmium(ii)] (Compound 13, 120K data)","","- C10 H8 Cd Cl2 N2 -","- C10 H8 Cd Cl2 N2 -","- C20 H16 Cd2 Cl4 N4 -","2","0.25","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0424","0.026","","","0.0586","0.0643","","","","","","1.116","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216330","11.749","0.005","12.067","0.005","3.7748","0.0014","90","","90","","90","","535.2","0.4","293","2","293","2","","","","","","","","5","P b a n :2","-P 2ab 2b","50","","net-[bis(μ-choloro)-(μ-4,4'-bipyridyl)-cadmium(ii)] (Compound 13, RT data)","","- C10 H8 Cd Cl2 N2 -","- C10 H8 Cd Cl2 N2 -","- C20 H16 Cd2 Cl4 N4 -","2","0.25","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.043","0.0254","","","0.059","0.0665","","","","","","1.079","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216331","11.753","0.002","12.107","0.003","3.7959","0.0008","90","","90","","90","","540.1","0.2","450","2","450","2","","","","","","","","5","P b a n :2","-P 2ab 2b","50","","net-[bis(μ-choloro)-(μ-4,4'-bipyridyl)-cadmium(ii)] (Compound 13, 450K data)","","- C10 H8 Cd Cl2 N2 -","- C10 H8 Cd Cl2 N2 -","- C20 H16 Cd2 Cl4 N4 -","2","0.25","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0507","0.0263","","","0.0563","0.0635","","","","","","1.077","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216332","11.7966","0.0014","12.5019","0.0015","3.8851","0.0005","90","","90","","90","","572.97","0.12","120","2","120","2","","","","","","","","5","P b a n :2","-P 2ab 2b","50","net-(bis(mu-bromo)-(mu-4,4'-bipyridyl)-cadmium(ii)) (Compound 14, 120K data)","net-[bis(μ-bromo)-(μ-4,4'-bipyridyl)-cadmium(ii)] (Compound 14, 120K data)","","- C10 H8 Br2 Cd N2 -","- C10 H8 Br2 Cd N2 -","- C20 H16 Br4 Cd2 N4 -","2","0.25","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0714","0.0347","","","0.0772","0.0922","","","","","","1.047","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216333","11.7857","0.001","12.5282","0.001","3.9105","0.0003","90","","90","","90","","577.4","0.08","293","2","293","2","","","","","","","","5","P b a n :2","-P 2ab 2b","50","","net-[bis(μ-beomo)-(μ-4,4'-bipyridyl)-cadmium(ii)] (Compound 14, 293K data)","","- C10 H8 Br2 Cd N2 -","- C10 H8 Br2 Cd N2 -","- C20 H16 Br4 Cd2 N4 -","2","0.25","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0625","0.0287","","","0.0597","0.0702","","","","","","1.015","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216334","11.8081","0.0012","13.0971","0.0013","4.1423","0.0004","90","","90","","90","","640.61","0.11","120","2","120","2","","","","","","","","5","C m m m","-C 2 2","65","net-(bis(mu-iodo)-(mu-4,4'-bipyridyl)-cadmium(ii)) (Compound 15, 120K data)","net-[bis(μ-iodo)-(μ-4,4'-bipyridyl)-cadmium(ii)] (Compound 15, 120K data)","","- C10 H8 Cd I2 N2 -","- C10 H8 Cd I2 N2 -","- C20 H16 Cd2 I4 N4 -","2","0.125","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0246","0.0201","","","0.0445","0.0462","","","","","","1.075","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216335","11.837","0.002","13.138","0.003","4.155","0.0008","90","","90","","90","","646.2","0.2","150","2","150","2","","","","","","","","5","C m m m","-C 2 2","65","","net-[bis(μ-iodo)-(μ-4,4'-bipyridyl)-cadmium(ii)] (Compound 15, 150K data)","","- C10 H8 Cd I2 N2 -","- C10 H8 Cd I2 N2 -","- C20 H16 Cd2 I4 N4 -","2","0.125","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0309","0.0246","","","0.0565","0.0582","","","","","","1.058","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216336","11.83","0.002","13.138","0.002","4.1569","0.0008","90","","90","","90","","646.08","0.19","180","2","180","2","","","","","","","","5","C m m m","-C 2 2","65","","net-[bis(μ-iodo)-(μ-4,4'-bipyridyl)-cadmium(ii)] (Compound 15, 180K data)","","- C10 H8 Cd I2 N2 -","- C10 H8 Cd I2 N2 -","- C20 H16 Cd2 I4 N4 -","2","0.125","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0328","0.0268","","","0.063","0.065","","","","","","1.052","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216337","11.822","0.002","13.135","0.002","4.1591","0.0008","90","","90","","90","","645.83","0.19","210","2","210","2","","","","","","","","5","C m m m","-C 2 2","65","","net-[bis(μ-iodo)-(μ-4,4'-bipyridyl)-cadmium(ii)] (Compound 15, 210K data)","","- C10 H8 Cd I2 N2 -","- C10 H8 Cd I2 N2 -","- C20 H16 Cd2 I4 N4 -","2","0.125","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0331","0.0254","","","0.0581","0.0609","","","","","","1.065","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216338","11.83","0.002","13.15","0.002","4.1667","0.0008","90","","90","","90","","648.19","0.19","240","2","240","2","","","","","","","","5","C m m m","-C 2 2","65","","net-[bis(μ-iodo)-(μ-4,4'-bipyridyl)-cadmium(ii)] (Compound 15, 240K data)","","- C10 H8 Cd I2 N2 -","- C10 H8 Cd I2 N2 -","- C20 H16 Cd2 I4 N4 -","2","0.125","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0374","0.029","","","0.0643","0.0687","","","","","","1.059","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216339","11.792","0.002","13.118","0.003","4.1585","0.0009","90","","90","","90","","643.3","0.2","270","2","270","2","","","","","","","","5","C m m m","-C 2 2","65","","net-[bis(μ-iodo)-(μ-4,4'-bipyridyl)-cadmium(ii)] (Compound 15, 270K data)","","- C10 H8 Cd I2 N2 -","- C10 H8 Cd I2 N2 -","- C20 H16 Cd2 I4 N4 -","2","0.125","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0362","0.0281","","","0.0625","0.0658","","","","","","1.101","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216340","11.828","0.0011","13.1531","0.0011","4.1751","0.0004","90","","90","","90","","649.54","0.1","293","2","293","2","","","","","","","","5","C m m m","-C 2 2","65","","net-[bis(μ-iodo)-(μ-4,4'-bipyridyl)-cadmium(ii)] (Compound 15, 293K data)","","- C10 H8 Cd I2 N2 -","- C10 H8 Cd I2 N2 -","- C20 H16 Cd2 I4 N4 -","2","0.125","","Hu, Chunhua; Li, Qi; Englert, Ulli","Structural trends in one and two dimensional coordination polymers of cadmium(ii) with halide bridges and pyridine-type ligands","CrystEngComm","2003","5","94","519","","10.1039/b314522k","","","0.71073","MoKα","","0.0418","0.0287","","","0.0538","0.0559","","","","","","1.217","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216341","10.3636","0.0009","12.2034","0.0011","14.0163","0.0012","89.208","0.002","73.739","0.001","75.875","0.001","1647.5","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H26 Co N4 O8 -","- C40 H26 Co N4 O8 -","- C80 H52 Co2 N8 O16 -","2","1","","Fan, Liming; Gao, Yan; Liu, Guangzeng; Fan, Weiliu; Song, Weikuo; Sun, Liming; Zhao, Xian; Zhang, Xiutang","Syntheses, structures, and magnetic properties of six coordination polymers based on 4,5-di(4′-carboxylphenyl)phthalic acid and different bis(imidazole) bridging linkers","CrystEngComm","2014","16","33","7649","","10.1039/C4CE00760C","","","0.71073","MoKα","","0.0621","0.0439","","","0.111","0.1297","","","","","","1.003","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216342","19.7798","0.0006","12.5466","0.0011","25.8545","0.0006","90","","110.619","0.003","90","","6005.3","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H20 Co2 N4 O8 -","- C34 H20 Co2 N4 O8 -","- C272 H160 Co16 N32 O64 -","8","1","","Fan, Liming; Gao, Yan; Liu, Guangzeng; Fan, Weiliu; Song, Weikuo; Sun, Liming; Zhao, Xian; Zhang, Xiutang","Syntheses, structures, and magnetic properties of six coordination polymers based on 4,5-di(4′-carboxylphenyl)phthalic acid and different bis(imidazole) bridging linkers","CrystEngComm","2014","16","33","7649","","10.1039/C4CE00760C","","","0.71073","MoKα","","0.0674","0.0433","","","0.1093","0.1228","","","","","","0.998","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216343","14.649","0.002","13.47","0.002","24.399","0.004","90","","106.607","0.003","90","","4613.6","1.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H42 N8 Ni O9 -","- C50 H42 N8 Ni O9 -","- C200 H168 N32 Ni4 O36 -","4","1","","Fan, Liming; Gao, Yan; Liu, Guangzeng; Fan, Weiliu; Song, Weikuo; Sun, Liming; Zhao, Xian; Zhang, Xiutang","Syntheses, structures, and magnetic properties of six coordination polymers based on 4,5-di(4′-carboxylphenyl)phthalic acid and different bis(imidazole) bridging linkers","CrystEngComm","2014","16","33","7649","","10.1039/C4CE00760C","","","0.71073","MoKα","","0.0601","0.0409","","","0.0976","0.1079","","","","","","1","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216344","33.6935","0.0018","11.1225","0.0006","27.5859","0.0014","90","","114.027","0.001","90","","9442.2","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H38 Co2 N8 O8 -","- C58 H38 Co2 N8 O8 -","- C464 H304 Co16 N64 O64 -","8","1","","Fan, Liming; Gao, Yan; Liu, Guangzeng; Fan, Weiliu; Song, Weikuo; Sun, Liming; Zhao, Xian; Zhang, Xiutang","Syntheses, structures, and magnetic properties of six coordination polymers based on 4,5-di(4′-carboxylphenyl)phthalic acid and different bis(imidazole) bridging linkers","CrystEngComm","2014","16","33","7649","","10.1039/C4CE00760C","","","0.71073","MoKα","","0.0726","0.0441","","","0.1063","0.124","","","","","","1","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216345","7.7686","0.0011","13.6512","0.0007","19.8766","0.0011","99.25","0.003","94.563","0.003","97.512","0.003","2051.7","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H80 N12 Ni3 O30 -","- C80 H80 N12 Ni3 O30 -","- C80 H80 N12 Ni3 O30 -","1","0.5","","Fan, Liming; Gao, Yan; Liu, Guangzeng; Fan, Weiliu; Song, Weikuo; Sun, Liming; Zhao, Xian; Zhang, Xiutang","Syntheses, structures, and magnetic properties of six coordination polymers based on 4,5-di(4′-carboxylphenyl)phthalic acid and different bis(imidazole) bridging linkers","CrystEngComm","2014","16","33","7649","","10.1039/C4CE00760C","","","0.71073","MoKα","","0.0836","0.0508","","","0.137","0.1621","","","","","","0.998","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216346","15.591","0.003","16.362","0.003","21.032","0.003","90","","120.491","0.005","90","","4623.3","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H42 Co2 N8 O10 -","- C50 H42 Co2 N8 O10 -","- C200 H168 Co8 N32 O40 -","4","1","","Fan, Liming; Gao, Yan; Liu, Guangzeng; Fan, Weiliu; Song, Weikuo; Sun, Liming; Zhao, Xian; Zhang, Xiutang","Syntheses, structures, and magnetic properties of six coordination polymers based on 4,5-di(4′-carboxylphenyl)phthalic acid and different bis(imidazole) bridging linkers","CrystEngComm","2014","16","33","7649","","10.1039/C4CE00760C","","","0.71073","MoKα","","0.151","0.0661","","","0.131","0.1626","","","","","","0.999","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216347","7.9663","0.0009","11.4723","0.0013","14.0805","0.0017","90","","90","","90","","1286.8","0.3","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C14 H10 Ag O6 P -","- C14 H10 Ag O6 P -","- C56 H40 Ag4 O24 P4 -","4","0.5","","Wu, Lin-Fei; Wang, Zhao-Xi; Xue, Chao-Chao; Xiao, Hong-Ping; Li, Ming-Xing","Two 2D sliver complexes with a symmetric and noncentrosymmetric architecture controlled by the metal‒ligand ratio","CrystEngComm","2014","16","25","5627","","10.1039/c4ce00008k","","","0.71073","MoKα","","0.0293","0.0277","","","0.0807","0.082","","","","","","1.073","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7216348","18.151","0.003","26.476","0.004","5.9595","0.001","90","","90","","90","","2863.9","0.8","296","2","296","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C14 H8 Ag3 O6 P -","- C14 H8 Ag3 O6 P -","- C112 H64 Ag24 O48 P8 -","8","1","","Wu, Lin-Fei; Wang, Zhao-Xi; Xue, Chao-Chao; Xiao, Hong-Ping; Li, Ming-Xing","Two 2D sliver complexes with a symmetric and noncentrosymmetric architecture controlled by the metal‒ligand ratio","CrystEngComm","2014","16","25","5627","","10.1039/c4ce00008k","","","0.71073","MoKα","","0.0195","0.019","","","0.0534","0.0538","","","","","","1.097","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7216349","14.904","0.004","14.159","0.003","21.949","0.005","90","","99.879","0.003","90","","4563.1","1.9","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C102 H106 N10 O9 Zn2 -","- C98 H98 N10 O8 Zn2 -","- C196 H196 N20 O16 Zn4 -","2","1","","Shinozaki, Y.; Yoshikawa, I.; Araki, K.; Sugawa, K.; Otsuki, J.","Control of higher-order structures of zinc chlorophyll coordination polymers","CrystEngComm","2014","16","39","9155","","10.1039/C4CE00861H","","","0.71075","MoKα","","0.1002","0.0787","","","0.2032","0.2271","","","","","","1.021","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216350","10.372","0.007","22.684","0.014","18.375","0.011","90","","104.44","0.01","90","","4187","5","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H39 N5 O3 Zn -","- C45 H39 N5 O3 Zn -","- C180 H156 N20 O12 Zn4 -","4","2","","Shinozaki, Y.; Yoshikawa, I.; Araki, K.; Sugawa, K.; Otsuki, J.","Control of higher-order structures of zinc chlorophyll coordination polymers","CrystEngComm","2014","16","39","9155","","10.1039/C4CE00861H","","","0.71075","MoKα","","0.1955","0.1136","","","0.2384","0.299","","","","","","1.046","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216351","11.019","0.002","12.676","0.003","21.167","0.004","90","","98.13","0.03","90","","2926.8","1.1","200","2","200.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 As3 Co N9 O10 -","- C24 H23.858 As3 Co N9 O10 -","- C96 H95.432 As12 Co4 N36 O40 -","4","1","","Lin, Jian-Di; Clérac, Rodolphe; Rouzières, Mathieu; Venkatesan, Munuswamy; Chimamkpam, Theresa O.; Schmitt, Wolfgang","Exploring the coordination chemistry of bifunctional organoarsonate ligands: syntheses and characterisation of coordination polymers that contain 4-(1,2,4-triazol-4-yl)phenylarsonic acid","CrystEngComm","2014","16","34","7894","","10.1039/C4CE00553H","","","0.71073","MoKα","","0.0298","0.0259","","","0.0681","0.07","","","","","","1.055","","","","has coordinates,has disorder","180494","2020-10-21","18:00:00",""
"7216352","20.454","0.004","7.7512","0.0016","8.4433","0.0017","90","","102.15","0.03","90","","1308.6","0.5","150","2","150.15","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C8 H11 As Cl Cu N3 O5 -","- C8 H7 As Cl Cu N3 O5 -","- C32 H28 As4 Cl4 Cu4 N12 O20 -","4","0.5","","Lin, Jian-Di; Clérac, Rodolphe; Rouzières, Mathieu; Venkatesan, Munuswamy; Chimamkpam, Theresa O.; Schmitt, Wolfgang","Exploring the coordination chemistry of bifunctional organoarsonate ligands: syntheses and characterisation of coordination polymers that contain 4-(1,2,4-triazol-4-yl)phenylarsonic acid","CrystEngComm","2014","16","34","7894","","10.1039/C4CE00553H","","","0.71073","MoKα","","0.0601","0.05","","","0.1663","0.1736","","","","","","0.999","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216353","8.5378","0.0017","17.151","0.003","12.69","0.003","90","","96.98","0.03","90","","1844.4","0.7","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 As2 Mn N6 O6 -","- C16 H14 As2 Mn N6 O6 -","- C64 H56 As8 Mn4 N24 O24 -","4","1","","Lin, Jian-Di; Clérac, Rodolphe; Rouzières, Mathieu; Venkatesan, Munuswamy; Chimamkpam, Theresa O.; Schmitt, Wolfgang","Exploring the coordination chemistry of bifunctional organoarsonate ligands: syntheses and characterisation of coordination polymers that contain 4-(1,2,4-triazol-4-yl)phenylarsonic acid","CrystEngComm","2014","16","34","7894","","10.1039/C4CE00553H","","","0.71073","MoKα","","0.0296","0.0257","","","0.0598","0.0615","","","","","","1.037","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216354","8.6818","0.0005","17.1961","0.0009","12.8662","0.0007","90","","96.906","0.001","90","","1906.9","0.18","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 As2 Cd N6 O6 -","- C16 H14 As2 Cd N6 O6 -","- C64 H56 As8 Cd4 N24 O24 -","4","1","","Lin, Jian-Di; Clérac, Rodolphe; Rouzières, Mathieu; Venkatesan, Munuswamy; Chimamkpam, Theresa O.; Schmitt, Wolfgang","Exploring the coordination chemistry of bifunctional organoarsonate ligands: syntheses and characterisation of coordination polymers that contain 4-(1,2,4-triazol-4-yl)phenylarsonic acid","CrystEngComm","2014","16","34","7894","","10.1039/C4CE00553H","","","0.71073","MoKα","","0.0221","0.0206","","","0.0513","0.0524","","","","","","1.029","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216355","6.012","0.0009","21.594","0.003","8.9646","0.0009","90","","126.135","0.007","90","","939.9","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 As N3 O3 -","- C8 H8 As N3 O3 -","- C32 H32 As4 N12 O12 -","4","1","","Lin, Jian-Di; Clérac, Rodolphe; Rouzières, Mathieu; Venkatesan, Munuswamy; Chimamkpam, Theresa O.; Schmitt, Wolfgang","Exploring the coordination chemistry of bifunctional organoarsonate ligands: syntheses and characterisation of coordination polymers that contain 4-(1,2,4-triazol-4-yl)phenylarsonic acid","CrystEngComm","2014","16","34","7894","","10.1039/C4CE00553H","","","0.71073","MoKα","","0.0601","0.0593","","","0.1344","0.1348","","","","","","1.078","","","","has coordinates,has disorder","180494","2020-10-21","18:00:00",""
"7216356","20.875","0.004","7.6129","0.0015","8.5776","0.0017","90","","101.41","0.03","90","","1336.2","0.5","150","2","150","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C8 H7 As Cl Co N3 O5 -","- C8 H7 As Cl Co N3 O5 -","- C32 H28 As4 Cl4 Co4 N12 O20 -","4","0.5","","Lin, Jian-Di; Clérac, Rodolphe; Rouzières, Mathieu; Venkatesan, Munuswamy; Chimamkpam, Theresa O.; Schmitt, Wolfgang","Exploring the coordination chemistry of bifunctional organoarsonate ligands: syntheses and characterisation of coordination polymers that contain 4-(1,2,4-triazol-4-yl)phenylarsonic acid","CrystEngComm","2014","16","34","7894","","10.1039/C4CE00553H","","","0.71073","MoKα","","0.0366","0.0365","","","0.1015","0.1016","","","","","","1.075","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216357","8.5117","0.0003","15.9674","0.0005","20.4293","0.0006","90","","97.588","0.002","90","","2752.23","0.15","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Zn","","","- C52 H52 Cl6 N4 O8 Zn2 -","- C52 H52 Cl6 N4 O8 Zn2 -","- C104 H104 Cl12 N8 O16 Zn4 -","2","0.5","","Fernando, Isurika R.; Mo, Yirong; Mezei, Gellert","Metal-binding studies of linear rigid-axle [2]pseudorotaxanes with in situ generated anionic metal halide complexes","CrystEngComm","2014","16","31","7320","","10.1039/C4CE00789A","","","0.71073","","","0.0763","0.0518","","","0.1497","0.1617","","","","","","1.058","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216358","17.5218","0.0008","16.1106","0.0007","20.7074","0.0009","90","","100.232","0.003","90","","5752.5","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H60 Cl6 N4 O10 Zn2 -","- C56 H60 Cl6 N4 O10 Zn2 -","- C224 H240 Cl24 N16 O40 Zn8 -","4","1","","Fernando, Isurika R.; Mo, Yirong; Mezei, Gellert","Metal-binding studies of linear rigid-axle [2]pseudorotaxanes with in situ generated anionic metal halide complexes","CrystEngComm","2014","16","31","7320","","10.1039/C4CE00789A","","","0.71073","MoKα","","0.2352","0.0697","","","0.121","0.1682","","","","","","0.938","","","","has coordinates,has disorder","180494","2020-10-21","18:00:00",""
"7216359","8.4959","0.0001","16.3216","0.0002","20.7112","0.0003","90","","97.903","0.001","90","","2844.68","0.06","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53 H56 Br6 N4 O9 Zn2 -","- C53 H52 Br6 N4 O9 Zn2 -","- C106 H104 Br12 N8 O18 Zn4 -","2","0.5","","Fernando, Isurika R.; Mo, Yirong; Mezei, Gellert","Metal-binding studies of linear rigid-axle [2]pseudorotaxanes with in situ generated anionic metal halide complexes","CrystEngComm","2014","16","31","7320","","10.1039/C4CE00789A","","","0.71073","MoKα","","0.2136","0.0703","","","0.1362","0.1776","","","","","","0.966","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216360","17.5924","0.0002","16.3095","0.0002","21.257","0.0002","90","","100.799","0.001","90","","5991.12","0.12","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H60 Br6 N4 O10 Zn2 -","- C56 H60 Br6 N4 O10 Zn2 -","- C224 H240 Br24 N16 O40 Zn8 -","4","1","","Fernando, Isurika R.; Mo, Yirong; Mezei, Gellert","Metal-binding studies of linear rigid-axle [2]pseudorotaxanes with in situ generated anionic metal halide complexes","CrystEngComm","2014","16","31","7320","","10.1039/C4CE00789A","","","0.71073","MoKα","","0.0992","0.047","","","0.0947","0.1104","","","","","","1.041","","","","has coordinates,has disorder","180494","2020-10-21","18:00:00",""
"7216361","11.1323","0.0002","20.1613","0.0003","28.3599","0.0005","91.835","0.001","100.902","0.001","92.955","0.001","6236.29","0.18","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H67.5 Br4 Cd Cl1.5 N4 O12 -","- C58 H64.5 Br4 Cd Cl1.5 N4 O12 -","- C232 H258 Br16 Cd4 Cl6 N16 O48 -","4","2","","Fernando, Isurika R.; Mo, Yirong; Mezei, Gellert","Metal-binding studies of linear rigid-axle [2]pseudorotaxanes with in situ generated anionic metal halide complexes","CrystEngComm","2014","16","31","7320","","10.1039/C4CE00789A","","","0.71073","MoKα","","0.2281","0.0824","","","0.1918","0.2483","","","","","","1.003","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7216362","18.905","0.0002","17.3064","0.0001","31.5699","0.0003","90","","90","","90","","10329","0.16","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C48 H56 Br4 Cd N4 O10 -","- C48 H56 Br4 Cd N4 O10 -","- C384 H448 Br32 Cd8 N32 O80 -","8","1","","Fernando, Isurika R.; Mo, Yirong; Mezei, Gellert","Metal-binding studies of linear rigid-axle [2]pseudorotaxanes with in situ generated anionic metal halide complexes","CrystEngComm","2014","16","31","7320","","10.1039/C4CE00789A","","","0.71073","MoKα","","0.097","0.042","","","0.0729","0.0878","","","","","","1.005","","","","has coordinates,has disorder","180494","2020-10-21","18:00:00",""
"7216363","11.3078","0.0004","11.4735","0.0004","15.1493","0.0005","69.17","0.002","77.757","0.002","72.357","0.002","1738.56","0.11","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H68 Cd2 I6 N4 O12 -","- C58 H60 Cd2 I6 N4 O12 -","- C58 H60 Cd2 I6 N4 O12 -","1","0.5","","Fernando, Isurika R.; Mo, Yirong; Mezei, Gellert","Metal-binding studies of linear rigid-axle [2]pseudorotaxanes with in situ generated anionic metal halide complexes","CrystEngComm","2014","16","31","7320","","10.1039/C4CE00789A","","","0.71073","MoKα","","0.0657","0.0373","","","0.0894","0.1","","","","","","1.074","","","","has coordinates,has disorder","180494","2020-10-21","18:00:00",""
"7216364","18.7667","0.0002","18.3528","0.0002","31.9417","0.0004","90","","90","","90","","11001.4","0.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C48 H56 Cd I4 N4 O10 -","- C48 H56 Cd I4 N4 O10 -","- C384 H448 Cd8 I32 N32 O80 -","8","1","","Fernando, Isurika R.; Mo, Yirong; Mezei, Gellert","Metal-binding studies of linear rigid-axle [2]pseudorotaxanes with in situ generated anionic metal halide complexes","CrystEngComm","2014","16","31","7320","","10.1039/C4CE00789A","","","0.71073","MoKα","","0.1779","0.082","","","0.1412","0.1701","","","","","","1.016","","","","has coordinates,has disorder","180494","2020-10-21","18:00:00",""
"7216365","9.8203","0.0001","11.5983","0.0002","12.8782","0.0002","94.835","0.001","106.333","0.001","103.139","0.001","1353.42","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H52 Br6 Hg2 N4 O8 -","- C52 H52 Br6 Hg2 N4 O8 -","- C52 H52 Br6 Hg2 N4 O8 -","1","0.5","","Fernando, Isurika R.; Mo, Yirong; Mezei, Gellert","Metal-binding studies of linear rigid-axle [2]pseudorotaxanes with in situ generated anionic metal halide complexes","CrystEngComm","2014","16","31","7320","","10.1039/C4CE00789A","","","0.71073","MoKα","","0.0275","0.0226","","","0.0479","0.0495","","","","","","1.011","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216366","10.9943","0.0002","15.1689","0.0002","15.5408","0.0003","111.58","0.001","101.951","0.001","104.728","0.001","2196.87","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C77 H80 Br12 Hg4 N8 O11 -","- C77 H76 Br12 Hg4 N8 O11 -","- C77 H76 Br12 Hg4 N8 O11 -","1","0.5","","Fernando, Isurika R.; Mo, Yirong; Mezei, Gellert","Metal-binding studies of linear rigid-axle [2]pseudorotaxanes with in situ generated anionic metal halide complexes","CrystEngComm","2014","16","31","7320","","10.1039/C4CE00789A","","","0.71073","MoKα","","0.1136","0.0476","","","0.0584","0.0692","","","","","","1.066","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216367","10.039","0.001","11.7664","0.0012","13.0968","0.0013","93.757","0.006","106.866","0.006","105.202","0.007","1411.8","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H52 Hg2 I6 N4 O8 -","- C52 H52 Hg2 I6 N4 O8 -","- C52 H52 Hg2 I6 N4 O8 -","1","0.5","","Fernando, Isurika R.; Mo, Yirong; Mezei, Gellert","Metal-binding studies of linear rigid-axle [2]pseudorotaxanes with in situ generated anionic metal halide complexes","CrystEngComm","2014","16","31","7320","","10.1039/C4CE00789A","","","0.71073","MoKα","","0.1297","0.084","","","0.252","0.291","","","","","","1.058","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216368","11.3555","0.0002","12.1082","0.0002","14.2423","0.0003","103.372","0.001","97.008","0.001","115.665","0.001","1661.16","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H72 Hg2 I6 N4 O13 -","- C59 H68 Hg2 I6 N4 O13 -","- C59 H68 Hg2 I6 N4 O13 -","1","0.5","","Fernando, Isurika R.; Mo, Yirong; Mezei, Gellert","Metal-binding studies of linear rigid-axle [2]pseudorotaxanes with in situ generated anionic metal halide complexes","CrystEngComm","2014","16","31","7320","","10.1039/C4CE00789A","","","0.71073","MoKα","","0.034","0.0302","","","0.1145","0.1197","","","","","","1.009","","","","has coordinates,has disorder","180494","2020-10-21","18:00:00",""
"7216369","10.2446","0.0009","16.4684","0.0014","14.9546","0.0013","90","","90","","90","","2523","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 Cd I4 N4 -","- C20 H16 Cd I4 N4 -","- C80 H64 Cd4 I16 N16 -","4","1","","Fernando, Isurika R.; Mo, Yirong; Mezei, Gellert","Metal-binding studies of linear rigid-axle [2]pseudorotaxanes with in situ generated anionic metal halide complexes","CrystEngComm","2014","16","31","7320","","10.1039/C4CE00789A","","","0.71073","MoKα","","0.1342","0.0418","","","0.0893","0.1345","","","","","","0.555","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216370","28.1847","0.0003","9.0482","0.0001","14.2578","0.0002","90","","98.699","0.001","90","","3594.21","0.08","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H28 I6 N4 O3 Zn2 -","- C23 H25 I6 N4 O3 Zn2 -","- C92 H100 I24 N16 O12 Zn8 -","4","0.5","","Fernando, Isurika R.; Mo, Yirong; Mezei, Gellert","Metal-binding studies of linear rigid-axle [2]pseudorotaxanes with in situ generated anionic metal halide complexes","CrystEngComm","2014","16","31","7320","","10.1039/C4CE00789A","","","0.71073","MoKα","","0.0846","0.0678","","","0.1323","0.1411","","","","","","1.069","","","","has coordinates,has disorder","180494","2020-10-21","18:00:00",""
"7216371","13.4688","0.0012","13.4688","0.0012","10.4961","0.0013","90","","90","","120","","1649","0.3","173","2","173","2","","","","","","","","6","P -3","-P 3","147","","","","- C78 H78 Cl2 Mn N12 O8 -","- C78 H78 Cl2 Mn N12 O8 -","- C78 H78 Cl2 Mn N12 O8 -","1","0.166667","","Liu, Qing-Xiang; Zhao, Zhi-Xiang; Zhao, Xiao-Jun; Bi, Yue; Yu, Jie; Wang, Xiu-Guang","Preparation, crystal structures and conformations of six complexes based on 1,4-bis(benzimidazol-1-ylmethyl)-2,3,5,6-tetramethylbenzene","CrystEngComm","2014","16","30","7023","","10.1039/C4CE00215F","","","0.71073","MoKα","","0.0791","0.0478","","","0.0919","0.1039","","","","","","1.025","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216372","12.608","0.002","13.831","0.003","17.334","0.002","90","","119.575","0.009","90","","2628.9","0.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 Cu N4 O7 S -","- C26 H32 Cu N4 O7 S -","- C104 H128 Cu4 N16 O28 S4 -","4","1","","Liu, Qing-Xiang; Zhao, Zhi-Xiang; Zhao, Xiao-Jun; Bi, Yue; Yu, Jie; Wang, Xiu-Guang","Preparation, crystal structures and conformations of six complexes based on 1,4-bis(benzimidazol-1-ylmethyl)-2,3,5,6-tetramethylbenzene","CrystEngComm","2014","16","30","7023","","10.1039/C4CE00215F","","","0.71073","MoKα","","0.0776","0.0515","","","0.1208","0.1366","","","","","","1.028","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216373","9.144","0.004","9.914","0.004","10.981","0.005","113.235","0.006","104.079","0.007","92.301","0.007","876.8","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H44 Co N4 O8 -","- C34 H36 Co N4 O8 -","- C34 H36 Co N4 O8 -","1","0.5","","Liu, Qing-Xiang; Zhao, Zhi-Xiang; Zhao, Xiao-Jun; Bi, Yue; Yu, Jie; Wang, Xiu-Guang","Preparation, crystal structures and conformations of six complexes based on 1,4-bis(benzimidazol-1-ylmethyl)-2,3,5,6-tetramethylbenzene","CrystEngComm","2014","16","30","7023","","10.1039/C4CE00215F","","","0.71073","MoKα","","0.0766","0.0633","","","0.1699","0.1833","","","","","","1.049","","","","has coordinates,has disorder","180494","2020-10-21","18:00:00",""
"7216374","16.62","0.003","9.5294","0.0016","19.384","0.004","90","","104.236","0.005","90","","2975.7","1","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14.5 H16.5 Co0.5 N3.5 O3.5 -","- C14.5 H16.5 Co0.5 N3.5 O3.5 -","- C116 H132 Co4 N28 O28 -","8","1","","Liu, Qing-Xiang; Zhao, Zhi-Xiang; Zhao, Xiao-Jun; Bi, Yue; Yu, Jie; Wang, Xiu-Guang","Preparation, crystal structures and conformations of six complexes based on 1,4-bis(benzimidazol-1-ylmethyl)-2,3,5,6-tetramethylbenzene","CrystEngComm","2014","16","30","7023","","10.1039/C4CE00215F","","","0.71073","MoKα","","0.0857","0.0715","","","0.2381","0.2543","","","","","","1.027","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7216375","16.651","0.005","9.66","0.003","19.921","0.007","90","","105.878","0.005","90","","3082","1.7","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H33 Cd N7 O7 -","- C29 H33 Cd N7 O7 -","- C116 H132 Cd4 N28 O28 -","4","0.5","","Liu, Qing-Xiang; Zhao, Zhi-Xiang; Zhao, Xiao-Jun; Bi, Yue; Yu, Jie; Wang, Xiu-Guang","Preparation, crystal structures and conformations of six complexes based on 1,4-bis(benzimidazol-1-ylmethyl)-2,3,5,6-tetramethylbenzene","CrystEngComm","2014","16","30","7023","","10.1039/C4CE00215F","","","0.71073","MoKα","","0.0441","0.0353","","","0.0737","0.0774","","","","","","1.006","","","","has coordinates,has disorder","180494","2020-10-21","18:00:00",""
"7216376","16.271","0.003","9.664","0.003","19.485","0.005","90","","103.811","0.006","90","","2975.3","1.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H33 Cu N7 O7 -","- C29 H33 Cu N7 O7 -","- C116 H132 Cu4 N28 O28 -","4","0.5","","Liu, Qing-Xiang; Zhao, Zhi-Xiang; Zhao, Xiao-Jun; Bi, Yue; Yu, Jie; Wang, Xiu-Guang","Preparation, crystal structures and conformations of six complexes based on 1,4-bis(benzimidazol-1-ylmethyl)-2,3,5,6-tetramethylbenzene","CrystEngComm","2014","16","30","7023","","10.1039/C4CE00215F","","","0.71073","MoKα","","0.0777","0.0512","","","0.123","0.1367","","","","","","1.061","","","","has coordinates,has disorder","180494","2020-10-21","18:00:00",""
"7216377","35.683","0.011","9.557","0.003","17.733","0.006","90","","99.261","0.004","90","","5969","3","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C66 H90 N2 O14 -","- C66 H90 N2 O14 -","- C264 H360 N8 O56 -","4","0.5","","Sekiya, Ryo; Yamasaki, Yutaro; Tada, Wataru; Shio, Hidemi; Haino, Takeharu","Guest induced head-to-tail columnar assembly of 5,17-difunctionalized calix[4]arene","CrystEngComm","2014","","","","","10.1039/c4ce00667d","","x-ray","0.71073","MoKα","","0.0548","0.0403","","","0.0937","0.1008","","","","","","1.039","","","","has coordinates,has disorder","180494","2020-10-21","18:00:00",""
"7216378","35.711","0.003","9.0453","0.0007","19.2477","0.0015","90","","109.063","0.001","90","","5876.4","0.8","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C62 H74 N2 O18 -","- C62 H74 N2 O18 -","- C248 H296 N8 O72 -","4","0.5","","Sekiya, Ryo; Yamasaki, Yutaro; Tada, Wataru; Shio, Hidemi; Haino, Takeharu","Guest induced head-to-tail columnar assembly of 5,17-difunctionalized calix[4]arene","CrystEngComm","2014","","","","","10.1039/c4ce00667d","","x-ray","0.71073","MoKα","","0.0737","0.0577","","","0.149","0.1627","","","","","","1.027","","","","has coordinates,has disorder","180494","2020-10-21","18:00:00",""
"7216379","15.4024","0.0018","18.32","0.002","18.45","0.002","90","","102.842","0.002","90","","5075.9","1","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C58 H66 N2 O12 -","- C58 H66 N2 O12 -","- C232 H264 N8 O48 -","4","1","","Sekiya, Ryo; Yamasaki, Yutaro; Tada, Wataru; Shio, Hidemi; Haino, Takeharu","Guest induced head-to-tail columnar assembly of 5,17-difunctionalized calix[4]arene","CrystEngComm","2014","","","","","10.1039/c4ce00667d","","x-ray","0.71073","MoKα","","0.1627","0.0744","","","0.1411","0.174","","","","","","1.006","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216380","9.1552","0.0009","15.3084","0.0015","18.3015","0.0018","96.349","0.001","94.785","0.001","92.28","0.001","2537.3","0.4","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C58 H64 N4 O10 -","- C58 H64 N4 O10 -","- C116 H128 N8 O20 -","2","1","","Sekiya, Ryo; Yamasaki, Yutaro; Tada, Wataru; Shio, Hidemi; Haino, Takeharu","Guest induced head-to-tail columnar assembly of 5,17-difunctionalized calix[4]arene","CrystEngComm","2014","","","","","10.1039/c4ce00667d","","x-ray","0.71073","MoKα","","0.0806","0.0508","","","0.1219","0.1442","","","","","","1.078","","","","has coordinates,has disorder","180494","2020-10-21","18:00:00",""
"7216381","24.293","0.003","10.7595","0.0013","18.361","0.002","90","","96.247","0.002","90","","4770.7","1","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H62 N2 O12 -","- C54 H58 N2 O12 -","- C216 H232 N8 O48 -","4","1","","Sekiya, Ryo; Yamasaki, Yutaro; Tada, Wataru; Shio, Hidemi; Haino, Takeharu","Guest induced head-to-tail columnar assembly of 5,17-difunctionalized calix[4]arene","CrystEngComm","2014","","","","","10.1039/c4ce00667d","","x-ray","0.71073","MoKα","","0.0806","0.0627","","","0.1656","0.1808","","","","","","1.027","","","","has coordinates,has disorder","180494","2020-10-21","18:00:00",""
"7216382","12.937","0.008","11.15","0.007","17.445","0.008","90","","126.8","0.03","90","","2015","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H46 Co N6 O10 -","- C42 H46 Co N6 O10 -","- C84 H92 Co2 N12 O20 -","2","0.5","","Yuan, Wei-Guan; Xiong, Fang; Zhang, Hong-Ling; Tang, Wei; Zhang, Shu-Fang; He, Zhan; Jing, Lin-Hai; Qin, Da-Bin","Syntheses, structures and luminescent properties of six divalent metal terephthalate coordination polymers based on three new flexible bis(imidazole) ligands","CrystEngComm","2014","16","33","7701","","10.1039/C4CE00635F","","","0.71073","MoKα","","0.1122","0.0694","","","0.1086","0.1213","","","","","","1.01","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216383","9.753","0.006","14.101","0.008","14.74","0.008","116.334","0.01","108.889","0.01","90.034","0.01","1693.9","1.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H28 Co N4 O8 -","- C36 H28 Co N4 O8 -","- C72 H56 Co2 N8 O16 -","2","1","","Yuan, Wei-Guan; Xiong, Fang; Zhang, Hong-Ling; Tang, Wei; Zhang, Shu-Fang; He, Zhan; Jing, Lin-Hai; Qin, Da-Bin","Syntheses, structures and luminescent properties of six divalent metal terephthalate coordination polymers based on three new flexible bis(imidazole) ligands","CrystEngComm","2014","16","33","7701","","10.1039/C4CE00635F","","","0.71073","MoKα","","0.1734","0.1153","","","0.237","0.2598","","","","","","1.069","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216384","18.724","0.007","19.302","0.007","20.004","0.008","90","","90","","90","","7230","5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C39 H37 N5 O8 Zn -","- C39 H35 N5 O8 Zn -","- C312 H280 N40 O64 Zn8 -","8","1","","Yuan, Wei-Guan; Xiong, Fang; Zhang, Hong-Ling; Tang, Wei; Zhang, Shu-Fang; He, Zhan; Jing, Lin-Hai; Qin, Da-Bin","Syntheses, structures and luminescent properties of six divalent metal terephthalate coordination polymers based on three new flexible bis(imidazole) ligands","CrystEngComm","2014","16","33","7701","","10.1039/C4CE00635F","","","0.71073","MoKα","","0.1127","0.0534","","","0.1175","0.1462","","","","","","1.004","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216385","16.982","0.004","10.725","0.002","22.521","0.004","90","","128.552","0.011","90","","3207.8","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H33 Cd N5 O8 -","- C31 H33 Cd N5 O8 -","- C124 H132 Cd4 N20 O32 -","4","1","","Yuan, Wei-Guan; Xiong, Fang; Zhang, Hong-Ling; Tang, Wei; Zhang, Shu-Fang; He, Zhan; Jing, Lin-Hai; Qin, Da-Bin","Syntheses, structures and luminescent properties of six divalent metal terephthalate coordination polymers based on three new flexible bis(imidazole) ligands","CrystEngComm","2014","16","33","7701","","10.1039/C4CE00635F","","","0.71073","MoKα","","0.0465","0.0335","","","0.0779","0.0849","","","","","","1.027","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216386","11.473","0.003","11.473","0.003","19.268","0.005","90","","90","","120","","2196.4","1","296","2","296","2","","","","","","","","5","P 32","P 32","145","","","","- C28 H30 Co N4 O9 -","- C28 H24 Co N4 O9 -","- C84 H72 Co3 N12 O27 -","3","1","","Yuan, Wei-Guan; Xiong, Fang; Zhang, Hong-Ling; Tang, Wei; Zhang, Shu-Fang; He, Zhan; Jing, Lin-Hai; Qin, Da-Bin","Syntheses, structures and luminescent properties of six divalent metal terephthalate coordination polymers based on three new flexible bis(imidazole) ligands","CrystEngComm","2014","16","33","7701","","10.1039/C4CE00635F","","","0.71073","MoKα","","0.1033","0.0778","","","0.2014","0.2195","","","","","","1.1","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216387","9.779","0.004","13.952","0.006","21.144","0.009","92.178","0.009","96.238","0.009","109.309","0.008","2698","2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H48 N8 O15 Zn2 -","- C56 H48 N8 O15 Zn2 -","- C112 H96 N16 O30 Zn4 -","2","1","","Yuan, Wei-Guan; Xiong, Fang; Zhang, Hong-Ling; Tang, Wei; Zhang, Shu-Fang; He, Zhan; Jing, Lin-Hai; Qin, Da-Bin","Syntheses, structures and luminescent properties of six divalent metal terephthalate coordination polymers based on three new flexible bis(imidazole) ligands","CrystEngComm","2014","16","33","7701","","10.1039/C4CE00635F","","","0.71073","MoKα","","0.1358","0.0613","","","0.1176","0.1444","","","","","","1.018","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216388","19.088","0.005","4.672","0.003","12.691","0.005","90","","115.56","0.03","90","","1021","0.9","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H18 N4 O3 -","- C8 H18 N4 O3 -","- C32 H72 N16 O12 -","4","0.5","","Owczarek, Magdalena; Majerz, Irena; Jakubas, Ryszard","Weak hydrogen and dihydrogen bonds instead of strong N‒H⋯O bonds of a tricyclic [1,2,4,5]-tetrazine derivative. Single-crystal X-ray diffraction, theoretical calculations and Hirshfeld surface analysis","CrystEngComm","2014","16","33","7638","","10.1039/C4CE00571F","","","0.71073","MoKα","","0.0432","0.0372","","","0.1083","0.1116","","","","","","1.068","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216389","9.789","0.005","6.441","0.003","7.862","0.004","90","","112.18","0.05","90","","459","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H16 N4 O2 -","- C8 H16 N4 O2 -","- C16 H32 N8 O4 -","2","0.5","","Owczarek, Magdalena; Majerz, Irena; Jakubas, Ryszard","Weak hydrogen and dihydrogen bonds instead of strong N‒H⋯O bonds of a tricyclic [1,2,4,5]-tetrazine derivative. Single-crystal X-ray diffraction, theoretical calculations and Hirshfeld surface analysis","CrystEngComm","2014","16","33","7638","","10.1039/C4CE00571F","","","0.71073","MoKα","","0.0477","0.0434","","","0.13","0.1331","","","","","","1.132","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216390","11.4423","0.0003","13.6677","0.0004","21.4571","0.0005","90","","107.676","0.001","90","","3197.25","0.15","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 N4 O9 Zn -","- C36 H28 N4 O9 Zn -","- C144 H112 N16 O36 Zn4 -","4","1","","Zhang, Xiao-min; Ning, Yang; Meng, Li-na; Li, Jian-qiang; Luo, Ming-biao; Luo, Feng","Constructing various metal‒organic frameworks by mixed pyridine‒acylamide and carboxylate ligands: ring-like or helical building blocks","CrystEngComm","2014","16","32","7440","","10.1039/C4CE00796D","","","0.71073","MoKα","","0.0459","0.0419","","","0.1001","0.1026","","","","","","1.136","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216391","7.3644","0.0018","20.505","0.005","18.269","0.004","90","","101.628","0.004","90","","2702.1","1.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 N4 O7 Zn -","- C30 H22 N4 O7 Zn -","- C120 H88 N16 O28 Zn4 -","4","1","","Zhang, Xiao-min; Ning, Yang; Meng, Li-na; Li, Jian-qiang; Luo, Ming-biao; Luo, Feng","Constructing various metal‒organic frameworks by mixed pyridine‒acylamide and carboxylate ligands: ring-like or helical building blocks","CrystEngComm","2014","16","32","7440","","10.1039/C4CE00796D","","","0.71073","MoKα","","0.061","0.0485","","","0.1296","0.1391","","","","","","1.096","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216392","27.8066","0.0004","10.0464","0.0001","22.2781","0.0003","90","","109.236","0.001","90","","5876.06","0.13","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H23 N4 O10 Zn -","- C31 H23 N4 O10 Zn -","- C248 H184 N32 O80 Zn8 -","8","1","","Zhang, Xiao-min; Ning, Yang; Meng, Li-na; Li, Jian-qiang; Luo, Ming-biao; Luo, Feng","Constructing various metal‒organic frameworks by mixed pyridine‒acylamide and carboxylate ligands: ring-like or helical building blocks","CrystEngComm","2014","16","32","7440","","10.1039/C4CE00796D","","","0.71073","MoKα","","0.0429","0.0374","","","0.0927","0.0976","","","","","","1.082","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216393","9.4834","0.0001","10.6376","0.0002","14.9133","0.0002","95.191","0.001","103.417","0.001","96.864","0.001","1441.99","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H24 N4 O7 Zn -","- C34 H24 N4 O7 Zn -","- C68 H48 N8 O14 Zn2 -","2","1","","Zhang, Xiao-min; Ning, Yang; Meng, Li-na; Li, Jian-qiang; Luo, Ming-biao; Luo, Feng","Constructing various metal‒organic frameworks by mixed pyridine‒acylamide and carboxylate ligands: ring-like or helical building blocks","CrystEngComm","2014","16","32","7440","","10.1039/C4CE00796D","","","0.71073","MoKα","","0.0423","0.0374","","","0.0875","0.0907","","","","","","1.075","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216394","13.2139","0.0005","21.7434","0.0008","16.7754","0.0006","90","","127.107","0.002","90","","3843.9","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H24 Cd N4 O7 -","- C34 H24 Cd N4 O7 -","- C136 H96 Cd4 N16 O28 -","4","1","","Zhang, Xiao-min; Ning, Yang; Meng, Li-na; Li, Jian-qiang; Luo, Ming-biao; Luo, Feng","Constructing various metal‒organic frameworks by mixed pyridine‒acylamide and carboxylate ligands: ring-like or helical building blocks","CrystEngComm","2014","16","32","7440","","10.1039/C4CE00796D","","","0.71073","MoKα","","0.0331","0.0301","","","0.0756","0.078","","","","","","1.048","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216395","11.358","0.0002","18.7948","0.0004","13.6608","0.0003","90","","100.438","0.001","90","","2867.93","0.1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H24 Cd N4 O7 -","- C34 H24 Cd N4 O7 -","- C136 H96 Cd4 N16 O28 -","4","1","","Zhang, Xiao-min; Ning, Yang; Meng, Li-na; Li, Jian-qiang; Luo, Ming-biao; Luo, Feng","Constructing various metal‒organic frameworks by mixed pyridine‒acylamide and carboxylate ligands: ring-like or helical building blocks","CrystEngComm","2014","16","32","7440","","10.1039/C4CE00796D","","","0.71073","MoKα","","0.0361","0.0295","","","0.0615","0.0664","","","","","","1.137","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216396","10.0055","0.0005","10.2265","0.0005","14.5845","0.0008","90.836","0.003","93.894","0.003","90.72","0.003","1488.56","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H26 Cd N4 O11 -","- C31 H26 Cd N4 O11 -","- C62 H52 Cd2 N8 O22 -","2","1","","Zhang, Xiao-min; Ning, Yang; Meng, Li-na; Li, Jian-qiang; Luo, Ming-biao; Luo, Feng","Constructing various metal‒organic frameworks by mixed pyridine‒acylamide and carboxylate ligands: ring-like or helical building blocks","CrystEngComm","2014","16","32","7440","","10.1039/C4CE00796D","","","0.71073","MoKα","","0.05","0.0383","","","0.0741","0.0866","","","","","","1.118","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216397","7.4692","0.0008","22.575","0.002","22.4145","0.0014","90","","91.242","0.006","90","","3778.6","0.6","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H24 N2 O5 -","- C20 H24 N2 O5 -","- C160 H192 N16 O40 -","8","1","","Lochenie, Charles; Schlamp, Stephan; Railliet, Antoine P.; Robeyns, Koen; Weber, Birgit; Garcia, Yann","Water channels and zipper structures in Schiff base-like Cu(ii) and Ni(ii) mononuclear complexes","CrystEngComm","2014","","","","","10.1039/c4ce00710g","","","0.71073","MoKα","","0.0899","0.0691","","","0.1648","0.1808","","","","","","1.075","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216398","27.317","0.003","22.2583","0.0014","6.9575","0.0005","90","","90","","90","","4230.4","0.6","150","2","150","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C19 H19 Cl3 Cu N2 O4 -","- C19 H19 Cl3 Cu N2 O4 -","- C152 H152 Cl24 Cu8 N16 O32 -","8","","","Lochenie, Charles; Schlamp, Stephan; Railliet, Antoine P.; Robeyns, Koen; Weber, Birgit; Garcia, Yann","Water channels and zipper structures in Schiff base-like Cu(ii) and Ni(ii) mononuclear complexes","CrystEngComm","2014","","","","","10.1039/c4ce00710g","","","0.71073","MoKα","","0.0766","0.0596","","","0.1213","0.131","","","","","","1.026","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7216399","8.0257","0.0003","19.2831","0.0006","23.3907","0.0007","90","","90","","90","","3620","0.2","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H22 Cu N2 O6 -","- C18 H22 Cu N2 O6 -","- C144 H176 Cu8 N16 O48 -","8","1","","Lochenie, Charles; Schlamp, Stephan; Railliet, Antoine P.; Robeyns, Koen; Weber, Birgit; Garcia, Yann","Water channels and zipper structures in Schiff base-like Cu(ii) and Ni(ii) mononuclear complexes","CrystEngComm","2014","","","","","10.1039/c4ce00710g","","","0.71073","MoKα","","0.0383","0.0346","","","0.0953","0.0989","","","","","","1.029","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216400","11.2596","0.0002","23.9363","0.0004","6.9871","0.0002","90","","103.591","0.002","90","","1830.38","0.07","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Cu N2 O4 -","- C18 H18 Cu N2 O4 -","- C72 H72 Cu4 N8 O16 -","4","1","","Lochenie, Charles; Schlamp, Stephan; Railliet, Antoine P.; Robeyns, Koen; Weber, Birgit; Garcia, Yann","Water channels and zipper structures in Schiff base-like Cu(ii) and Ni(ii) mononuclear complexes","CrystEngComm","2014","","","","","10.1039/c4ce00710g","","","0.71073","MoKα","","0.0438","0.0408","","","0.1117","0.1134","","","","","","1.06","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216401","11.1128","0.0005","23.948","0.001","7.13","0.0003","90","","103.599","0.005","90","","1844.31","0.14","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 N2 Ni O5 -","- C19 H22 N2 Ni O5 -","- C76 H88 N8 Ni4 O20 -","4","1","","Lochenie, Charles; Schlamp, Stephan; Railliet, Antoine P.; Robeyns, Koen; Weber, Birgit; Garcia, Yann","Water channels and zipper structures in Schiff base-like Cu(ii) and Ni(ii) mononuclear complexes","CrystEngComm","2014","","","","","10.1039/c4ce00710g","","","0.71073","MoKα","","0.0941","0.0537","","","0.1136","0.1353","","","","","","1.037","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216402","6.7484","0.0001","21.9827","0.0003","16.0526","0.0002","90","","105.172","0.001","90","","2298.37","0.06","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 Cu N2 O8 -","- C22 H26 Cu N2 O8 -","- C88 H104 Cu4 N8 O32 -","4","1","","Lochenie, Charles; Schlamp, Stephan; Railliet, Antoine P.; Robeyns, Koen; Weber, Birgit; Garcia, Yann","Water channels and zipper structures in Schiff base-like Cu(ii) and Ni(ii) mononuclear complexes","CrystEngComm","2014","","","","","10.1039/c4ce00710g","","","0.71073","MoKα","","0.0656","0.0401","","","0.096","0.1067","","","","","","1.038","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216403","10.1012","0.001","15.8278","0.0016","27.754","0.003","90","","92.249","0.002","90","","4433.9","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H44 Co2 N4 O12 -","- C43 H36 Co2 N4 O12 -","- C172 H144 Co8 N16 O48 -","4","1","","Guo, Huadong; Guo, Xianmin; Zou, Hengye; Qi, Yanjuan; Chen, Ruizhan; Zhao, Lun; Liu, Chunming","A series of coordination polymers assembled from 9,9-dimethylfluorene-2,7-dicarboxylic acid and various flexible bis(imidazole) ligands: synthesis, structures and properties","CrystEngComm","2014","16","32","7459","","10.1039/C4CE00664J","","","0.71073","MoKα","","0.0923","0.0487","","","0.1181","0.1398","","","","","","0.994","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216404","9.5048","0.0008","26.132","0.002","16.8487","0.0014","90","","99.253","0.002","90","","4130.4","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H38 N4 O9 Zn2 -","- C43 H36 N4 O9 Zn2 -","- C172 H144 N16 O36 Zn8 -","4","1","","Guo, Huadong; Guo, Xianmin; Zou, Hengye; Qi, Yanjuan; Chen, Ruizhan; Zhao, Lun; Liu, Chunming","A series of coordination polymers assembled from 9,9-dimethylfluorene-2,7-dicarboxylic acid and various flexible bis(imidazole) ligands: synthesis, structures and properties","CrystEngComm","2014","16","32","7459","","10.1039/C4CE00664J","","","0.71073","MoKα","","0.1111","0.0539","","","0.1432","0.1747","","","","","","1.004","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216405","25.584","0.007","11.903","0.003","15.203","0.004","90","","120.107","0.004","90","","4005.1","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H40 Co2 N4 O9 -","- C44 H32 Co2 N4 O9 -","- C176 H128 Co8 N16 O36 -","4","0.5","","Guo, Huadong; Guo, Xianmin; Zou, Hengye; Qi, Yanjuan; Chen, Ruizhan; Zhao, Lun; Liu, Chunming","A series of coordination polymers assembled from 9,9-dimethylfluorene-2,7-dicarboxylic acid and various flexible bis(imidazole) ligands: synthesis, structures and properties","CrystEngComm","2014","16","32","7459","","10.1039/C4CE00664J","","","0.71073","MoKα","","0.0541","0.0429","","","0.1124","0.1222","","","","","","0.871","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216406","14.0828","0.0008","23.9967","0.0012","37.1516","0.0019","90","","90","","90","","12555","1.1","293","2","293","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C63 H75 N11 O12 Zn2 -","- C63 H64 N11 O12 Zn2 -","- C504 H512 N88 O96 Zn16 -","8","","","Guo, Huadong; Guo, Xianmin; Zou, Hengye; Qi, Yanjuan; Chen, Ruizhan; Zhao, Lun; Liu, Chunming","A series of coordination polymers assembled from 9,9-dimethylfluorene-2,7-dicarboxylic acid and various flexible bis(imidazole) ligands: synthesis, structures and properties","CrystEngComm","2014","16","32","7459","","10.1039/C4CE00664J","","","0.71073","MoKα","","0.1154","0.0674","","","0.1779","0.207","","","","","","1.056","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216407","21.096","0.012","10.897","0.006","18.875","0.011","90","","90","","90","","4339","4","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22 H19 N2 O4 Zn -","- C22 H15 N2 O4 Zn -","- C176 H120 N16 O32 Zn8 -","8","1","","Guo, Huadong; Guo, Xianmin; Zou, Hengye; Qi, Yanjuan; Chen, Ruizhan; Zhao, Lun; Liu, Chunming","A series of coordination polymers assembled from 9,9-dimethylfluorene-2,7-dicarboxylic acid and various flexible bis(imidazole) ligands: synthesis, structures and properties","CrystEngComm","2014","16","32","7459","","10.1039/C4CE00664J","","","0.71073","MoKα","","0.1534","0.075","","","0.1514","0.1844","","","","","","1.029","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216408","11.6756","0.0013","14.7495","0.0016","16.4661","0.0018","109.353","0.002","101.206","0.002","108.562","0.002","2389.5","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H48 N6 Ni2 O11 -","- C49 H32 N6 Ni2 O11 -","- C98 H64 N12 Ni4 O22 -","2","1","","Guo, Huadong; Guo, Xianmin; Zou, Hengye; Qi, Yanjuan; Chen, Ruizhan; Zhao, Lun; Liu, Chunming","A series of coordination polymers assembled from 9,9-dimethylfluorene-2,7-dicarboxylic acid and various flexible bis(imidazole) ligands: synthesis, structures and properties","CrystEngComm","2014","16","32","7459","","10.1039/C4CE00664J","","","0.71073","MoKα","","0.0905","0.057","","","0.1715","0.1894","","","","","","0.971","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216409","21.1497","0.0019","10.9266","0.0009","18.6978","0.0016","90","","90","","90","","4321","0.6","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22 H19 N2 O4 Zn -","- C22 H15 N2 O4 Zn -","- C176 H120 N16 O32 Zn8 -","8","1","","Guo, Huadong; Guo, Xianmin; Zou, Hengye; Qi, Yanjuan; Chen, Ruizhan; Zhao, Lun; Liu, Chunming","A series of coordination polymers assembled from 9,9-dimethylfluorene-2,7-dicarboxylic acid and various flexible bis(imidazole) ligands: synthesis, structures and properties","CrystEngComm","2014","16","32","7459","","10.1039/C4CE00664J","","","0.71073","MoKα","","0.1164","0.0513","","","0.1206","0.1486","","","","","","1.002","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216410","5.9041","0.0008","5.9041","0.0008","10.499","0.002","90","","90","","90","","365.98","0.1","93","2","93","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- Ag3 Ga3 Se8 Si -","- Ag3 Ga3 Se8 Si -","- Ag3 Ga3 Se8 Si -","1","0.0625","","Mei, Dajiang; Gong, Pifu; Lin, Zheshuai; Feng, Kai; Yao, Jiyong; Huang, Fuqiang; Wu, Yicheng","Ag3Ga3SiSe8: a new infrared nonlinear optical material with a chalcopyrite structure","CrystEngComm","2014","16","30","6836","","10.1039/C4CE00817K","","","0.71073","MoKα","","0.0315","0.0273","","","0.0547","0.0558","","","","","","1.134","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216411","23.933","0.003","18.5408","0.0016","22.9605","0.0017","90","","108.96","0.011","90","","9635.7","1.8","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C62 H102 Mn6 N4 O24 -","- C62 H102 Mn6 N4 O24 -","- C248 H408 Mn24 N16 O96 -","4","1","","Malaestean, Iurie L.; Ellern, Arkady; van Leusen, Jan; Kravtsov, Victor C.; Kögerler, Paul; Baca, Svetlana G.","Cluster-based networks: assembly of a (4,4) layer and a rare T-shaped bilayer from [MnIII2MnII4O2(RCOO)10] coordination clusters","CrystEngComm","2014","16","29","6523","","10.1039/c4ce00504j","","","0.71073","MoKα","","0.1807","0.0766","","","0.1664","0.1876","","","","","","1.004","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216412","29.157","0.003","26.193","0.002","13.1814","0.0012","90","","90","","90","","10066.8","1.6","173","2","173","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C39 H61 Mn3 N2 O12 S2 -","- C39 H61 Mn3 N2 O12 S2 -","- C312 H488 Mn24 N16 O96 S16 -","8","1","","Malaestean, Iurie L.; Ellern, Arkady; van Leusen, Jan; Kravtsov, Victor C.; Kögerler, Paul; Baca, Svetlana G.","Cluster-based networks: assembly of a (4,4) layer and a rare T-shaped bilayer from [MnIII2MnII4O2(RCOO)10] coordination clusters","CrystEngComm","2014","16","29","6523","","10.1039/c4ce00504j","","","0.71073","MoKα","","0.0696","0.0515","","","0.1535","0.1711","","","","","","1.114","","","","has coordinates,has disorder","180495","2020-10-21","18:00:00",""
"7216413","27.93","0.008","12.816","0.003","48.811","0.014","90","","95.693","0.007","90","","17386","8","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C70 H112 Mn6 N4 O26 S4 -","- C64 H94 Mn6 N4 O23 S4 -","- C512 H752 Mn48 N32 O184 S32 -","8","1","","Malaestean, Iurie L.; Ellern, Arkady; van Leusen, Jan; Kravtsov, Victor C.; Kögerler, Paul; Baca, Svetlana G.","Cluster-based networks: assembly of a (4,4) layer and a rare T-shaped bilayer from [MnIII2MnII4O2(RCOO)10] coordination clusters","CrystEngComm","2014","16","29","6523","","10.1039/c4ce00504j","","","0.71073","MoKα","","0.1293","0.1059","","","0.2406","0.2507","","","","","","1.138","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216414","50.85","0.016","15.26","0.005","14.006","0.004","90","","90","","90","","10868","6","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","MeBTB","1,3,5-Tris(2,6-dimethyl-4-carboxyphenyl)benzene + 2*1,1,2,2-tetrachloroethane","","- C37 H34 Cl8 O6 -","- C37 H34 Cl8 O6 -","- C296 H272 Cl64 O48 -","8","1","","Bajpai, Alankriti; Venugopalan, Paloth; Moorthy, Jarugu Narasimha","Self-assembly of sterically-rigidified 3-connecting benzenetribenzoic acid into (6,3) and (3,3) nets and stabilization of water channel in the crystal lattice","CrystEngComm","2014","16","22","4853","","10.1039/c3ce42515k","","","0.71073","MoKα","","0.2673","0.1833","","","0.4279","0.4562","","","","","","1.672","","","","has coordinates,has disorder","180495","2020-10-21","18:00:00",""
"7216415","50.85","0.016","15.26","0.005","14.006","0.004","90","","90","","90","","10868","6","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","MeBTB","1,3,5-Tris(2,6-dimethyl-4-carboxyphenyl)benzene + 2*1,1,2,2-tetrachloroethane","","- C37 H34 Cl8 O6 -","- C33 H30 O6 -","- C264 H240 O48 -","8","1","","Bajpai, Alankriti; Venugopalan, Paloth; Moorthy, Jarugu Narasimha","Self-assembly of sterically-rigidified 3-connecting benzenetribenzoic acid into (6,3) and (3,3) nets and stabilization of water channel in the crystal lattice","CrystEngComm","2014","16","22","4853","","10.1039/c3ce42515k","","","0.71073","MoKα","","0.1634","0.0817","","","0.1768","0.197","","","","","","1.014","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216416","25.35","0.004","25.35","0.004","18.979","0.004","90","","90","","120","","10562","3","293","2","293","2","","","","","","","","3","P 61","P 61","169","2*1,3,5-Tris(2,6-dimethyl-4-carboxyphenyl)benzene+2*Dimethoxyethane+2*H2O","","","- C74 H84 O18 -","- C74 H80 O18 -","- C444 H480 O108 -","6","1","","Bajpai, Alankriti; Venugopalan, Paloth; Moorthy, Jarugu Narasimha","Self-assembly of sterically-rigidified 3-connecting benzenetribenzoic acid into (6,3) and (3,3) nets and stabilization of water channel in the crystal lattice","CrystEngComm","2014","16","22","4853","","10.1039/c3ce42515k","","","0.71073","MoKα","","0.1038","0.0728","","","0.1768","0.1948","","","","","","1.06","","","","has coordinates,has disorder","180495","2020-10-21","18:00:00",""
"7216417","8.6821","0.0008","29.796","0.003","12.8045","0.0012","90","","96.432","0.002","90","","3291.6","0.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","1,3,5-Tris(2,6-dimethyl-4-carboxyphenyl)benzene + 2*dibenzocrown + 1.5K+","","","- C73 H80 K1.5 O20 -","- C73 H75 K1.5 O20 -","- C146 H150 K3 O40 -","2","1","","Bajpai, Alankriti; Venugopalan, Paloth; Moorthy, Jarugu Narasimha","Self-assembly of sterically-rigidified 3-connecting benzenetribenzoic acid into (6,3) and (3,3) nets and stabilization of water channel in the crystal lattice","CrystEngComm","2014","16","22","4853","","10.1039/c3ce42515k","","","0.71073","MoKα","","0.1106","0.071","","","0.138","0.1556","","","","","","1.073","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216418","13.3641","0.0007","13.3641","0.0007","45.517","0.003","90","","90","","120","","7040.2","0.7","298","2","298","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C90 H80 F6 N14 O24 Si -","- C90 H80 F6 N14 O24 Si -","- C270 H240 F18 N42 O72 Si3 -","3","0.166667","","Basu, Arghya; Chutia, Romen; Das, Gopal","Dual modes of binding on the hexafluorosilicate anion by a C3v symmetric flexible tripodal amide ligand in solid state","CrystEngComm","2014","16","22","4886","","10.1039/c4ce00529e","","","0.71073","MoKα","","0.1499","0.0987","","","0.2801","0.314","","","","","","1.057","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216419","13.1197","0.0005","13.1321","0.0006","15.7929","0.0006","108.655","0.002","105.033","0.002","92.632","0.002","2464.94","0.18","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C96 H102 F6 N16 O30 Si -","- C96 H102 F6 N16 O30 Si -","- C96 H102 F6 N16 O30 Si -","1","0.5","","Basu, Arghya; Chutia, Romen; Das, Gopal","Dual modes of binding on the hexafluorosilicate anion by a C3v symmetric flexible tripodal amide ligand in solid state","CrystEngComm","2014","16","22","4886","","10.1039/c4ce00529e","","","0.71073","MoKα","","0.1322","0.0608","","","0.1524","0.1831","","","","","","0.83","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216420","20.9184","0.001","10.4771","0.0006","7.8468","0.0004","90","","95.79","0.004","90","","1710.96","0.16","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Furosemide sodium salt trihydrate","","","- C12 H16 Cl N2 Na O8 S -","- C12 H16 Cl N2 Na O8 S -","- C48 H64 Cl4 N8 Na4 O32 S4 -","4","1","","Rao Khandavilli, U. B.; Gangavaram, Swarupa; Rajesh Goud, N.; Cherukuvada, Suryanarayan; Raghavender, S.; Nangia, Ashwini; Manjunatha, Sulur G.; Nambiar, Sudhir; Pal, Sharmistha","High solubility crystalline hydrates of Na and K furosemide salts","CrystEngComm","2014","16","22","4842","","10.1039/c3ce42347f","","","0.71073","MoKα","","0.0922","0.0476","","","0.0808","0.0901","","","","","","0.92","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216421","18.8967","0.001","11.1734","0.0006","7.3056","0.0004","90","","91.346","0.005","90","","1542.08","0.14","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Furosemide potassuium salt monohydrate","","","- C12 H12 Cl K N2 O6 S -","- C12 H12 Cl K N2 O6 S -","- C48 H48 Cl4 K4 N8 O24 S4 -","4","1","","Rao Khandavilli, U. B.; Gangavaram, Swarupa; Rajesh Goud, N.; Cherukuvada, Suryanarayan; Raghavender, S.; Nangia, Ashwini; Manjunatha, Sulur G.; Nambiar, Sudhir; Pal, Sharmistha","High solubility crystalline hydrates of Na and K furosemide salts","CrystEngComm","2014","16","22","4842","","10.1039/c3ce42347f","","","0.71073","MoKα","","0.091","0.0752","","","0.2237","0.2326","","","","","","1.183","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216422","12.579","0.015","24.34","0.02","14.063","0.013","90","","109.3","0.04","90","","4064","7","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 H53 N5 O11 -","- C37 H53 N5 O11 -","- C148 H212 N20 O44 -","4","2","","Bera, Santu; Maity, Suman Kumar; Haldar, Debasish","Photoelectrochemical properties of CdSe quantum dots doped disk-like tripeptide capsule","CrystEngComm","2014","16","22","4834","","10.1039/c3ce42582g","","","0.71073","MoKα","","0.0612","0.0565","","","0.1588","0.163","","","","","","1.28","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216423","11.6087","0.0013","21.608","0.003","14.0422","0.0016","90","","105.152","0.002","90","","3399.9","0.7","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H44 N5 O11.5 -","- C29 H44 N5 O11.5 -","- C116 H176 N20 O46 -","4","2","","Bera, Santu; Maity, Suman Kumar; Haldar, Debasish","Photoelectrochemical properties of CdSe quantum dots doped disk-like tripeptide capsule","CrystEngComm","2014","16","22","4834","","10.1039/c3ce42582g","","","0.71073","MoKα","","0.0996","0.0631","","","0.1362","0.1687","","","","","","1.05","","","","has coordinates","183084","2020-10-21","18:00:00",""
"7216424","8.5118","0.0007","22.703","0.002","11.3906","0.0008","90","","105.401","0.007","90","","2122.1","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 Co N4 O4 -","- C24 H22 Co N4 O4 -","- C96 H88 Co4 N16 O16 -","4","1","","Tripuramallu, Bharat Kumar; Manna, Paulami; Das, Samar K.","Structural library of coordination polymers based on flexible linkers exploiting the role of linker coordination angle: synthesis, structural characterization and magnetic properties","CrystEngComm","2014","16","22","4816","","10.1039/c3ce42637h","","","0.71073","MoKα","","0.0875","0.0535","","","0.0934","0.1061","","","","","","1.034","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216425","13.177","0.008","15.668","0.008","28.949","0.015","90","","90","","90","","5977","6","298","2","298","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C31 H22 Co F6 N4 O5 -","- C31 H22 Co F6 N4 O5 -","- C248 H176 Co8 F48 N32 O40 -","8","0.5","","Tripuramallu, Bharat Kumar; Manna, Paulami; Das, Samar K.","Structural library of coordination polymers based on flexible linkers exploiting the role of linker coordination angle: synthesis, structural characterization and magnetic properties","CrystEngComm","2014","16","22","4816","","10.1039/c3ce42637h","","","0.71073","MoKα","","0.0868","0.0687","","","0.1361","0.1421","","","","","","1.266","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216426","11.5867","0.0003","12.6968","0.0004","17.5141","0.0005","90","","96.216","0.003","90","","2561.42","0.13","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 Co N4 O4 -","- C28 H30 Co N4 O4 -","- C112 H120 Co4 N16 O16 -","4","1","","Tripuramallu, Bharat Kumar; Manna, Paulami; Das, Samar K.","Structural library of coordination polymers based on flexible linkers exploiting the role of linker coordination angle: synthesis, structural characterization and magnetic properties","CrystEngComm","2014","16","22","4816","","10.1039/c3ce42637h","","","0.71073","MoKα","","0.0529","0.0398","","","0.1043","0.1123","","","","","","1.056","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216427","13.1976","0.0009","10.4914","0.0007","20.376","0.0015","90","","108.808","0.008","90","","2670.6","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H34 Co N4 O5 -","- C28 H34 Co N4 O5 -","- C112 H136 Co4 N16 O20 -","4","1","","Tripuramallu, Bharat Kumar; Manna, Paulami; Das, Samar K.","Structural library of coordination polymers based on flexible linkers exploiting the role of linker coordination angle: synthesis, structural characterization and magnetic properties","CrystEngComm","2014","16","22","4816","","10.1039/c3ce42637h","","","0.71073","MoKα","","0.0653","0.044","","","0.1027","0.1166","","","","","","1.024","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216428","9.3717","0.0008","10.1843","0.0009","11.7377","0.0011","112.956","0.001","108.358","0.001","90.696","0.001","967.32","0.15","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H38 Co3 N12 O16 -","- C30 H38 Co3 N12 O16 -","- C30 H38 Co3 N12 O16 -","1","0.5","","Tripuramallu, Bharat Kumar; Manna, Paulami; Das, Samar K.","Structural library of coordination polymers based on flexible linkers exploiting the role of linker coordination angle: synthesis, structural characterization and magnetic properties","CrystEngComm","2014","16","22","4816","","10.1039/c3ce42637h","","","0.71073","MoKα","","0.0385","0.0322","","","0.0767","0.0802","","","","","","1.027","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216429","8.9732","0.0004","20.4712","0.0009","10.4084","0.0005","90","","102.998","0.005","90","","1862.95","0.15","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 Co2 N5 O5 -","- C16 H12 Co2 N5 O5 -","- C64 H48 Co8 N20 O20 -","4","1","","Tripuramallu, Bharat Kumar; Manna, Paulami; Das, Samar K.","Structural library of coordination polymers based on flexible linkers exploiting the role of linker coordination angle: synthesis, structural characterization and magnetic properties","CrystEngComm","2014","16","22","4816","","10.1039/c3ce42637h","","","0.71073","MoKα","","0.0565","0.0448","","","0.1063","0.112","","","","","","1.109","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216430","16.3552","0.0006","16.0035","0.0006","12.1024","0.0005","90","","111.399","0.001","90","","2949.3","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H27 Cd2 N4 O9 -","- C30 H27 Cd2 N4 O9 -","- C120 H108 Cd8 N16 O36 -","4","0.5","","Haldar, Ritesh; Bonakala, Satyanarayana; Kanoo, Prakash; Balasubramanian, Sundaram; Maji, Tapas Kumar","Two 3D metal‒organic frameworks of Cd(ii): modulation of structures and porous properties based on linker functionalities","CrystEngComm","2014","16","22","4877","","10.1039/c4ce00190g","","","0.71073","MoKα","","0.0387","0.0295","","","0.0645","0.0682","","","","","","1.026","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216431","6.7119","0.0007","24.876","0.003","14.0647","0.0017","90","","90","","90","","2348.3","0.5","150","2","150","2","","","","","","","","5","C m m a","-C 2a 2","67","","","","- C18 H10 Cd N5 O9.5 -","- C18 H10 Cd N5 O9.52 -","- C72 H40 Cd4 N20 O38.08 -","4","0.25","","Haldar, Ritesh; Bonakala, Satyanarayana; Kanoo, Prakash; Balasubramanian, Sundaram; Maji, Tapas Kumar","Two 3D metal‒organic frameworks of Cd(ii): modulation of structures and porous properties based on linker functionalities","CrystEngComm","2014","16","22","4877","","10.1039/c4ce00190g","","","0.71073","MoKα","","0.1062","0.0953","","","0.2257","0.241","","","","","","1.058","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216432","16.38","0.002","20.382","0.003","31.993","0.004","90","","97.917","0.002","90","","10579","2","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C8 H24 Cu2 Mo12 N16 O46.5 P S2 -","- C8 H12 Cu2 Mo12 N16 O44 P S2 -","- C64 H96 Cu16 Mo96 N128 O352 P8 S16 -","8","1","","Hu, Hailiang; Zhang, Weisong; Gong, Jingjing; Dong, Huan; Zhao, Fangfang; Huang, Hui; Liu, Yang; Zhang, Guangju; Kang, Zhenhui","Can tetrazole-functionalized ligands realize the role-control of Keggin-type POMs in hybrid frameworks?","CrystEngComm","2014","16","25","5642","","10.1039/c4ce00293h","","","0.71073","MoKα","","0.0596","0.0479","","","0.1313","0.1381","","","","","","1.041","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216433","14.703","0.002","14.703","0.002","19.139","0.005","90","","90","","90","","4137.4","1.3","150","2","150","2","","","","","","","","9","P 4 n c","P 4 -2n","104","","","","- C26 H40 Cl Cu4 N32 O40 P S8 W12 -","- C26 H40 Cl Cu4 N32 O40 P S8 W12 -","- C52 H80 Cl2 Cu8 N64 O80 P2 S16 W24 -","2","0.25","","Hu, Hailiang; Zhang, Weisong; Gong, Jingjing; Dong, Huan; Zhao, Fangfang; Huang, Hui; Liu, Yang; Zhang, Guangju; Kang, Zhenhui","Can tetrazole-functionalized ligands realize the role-control of Keggin-type POMs in hybrid frameworks?","CrystEngComm","2014","16","25","5642","","10.1039/c4ce00293h","","","0.71073","MoKα","","0.061","0.0373","","","0.0758","0.0863","","","","","","1.003","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216434","24.3102","0.0014","18.5783","0.0011","25.6814","0.0015","90","","90","","90","","11598.8","1.2","150","2","150","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C12 H20 Ag3 Mo12 N24 O41 P S3 -","- C12 H18 Ag3 Mo12 N24 O41 P S3 -","- C96 H144 Ag24 Mo96 N192 O328 P8 S24 -","8","1","","Hu, Hailiang; Zhang, Weisong; Gong, Jingjing; Dong, Huan; Zhao, Fangfang; Huang, Hui; Liu, Yang; Zhang, Guangju; Kang, Zhenhui","Can tetrazole-functionalized ligands realize the role-control of Keggin-type POMs in hybrid frameworks?","CrystEngComm","2014","16","25","5642","","10.1039/c4ce00293h","","","0.71073","MoKα","","0.0647","0.0514","","","0.1105","0.1157","","","","","","1.053","","","","has coordinates,has disorder","180495","2020-10-21","18:00:00",""
"7216435","18.274","0.003","16.737","0.003","26.438","0.003","90","","131.755","0.007","90","","6032.2","1.7","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C13 H32 Ag3 N16 O46 P S4 W12 -","- C13 H20 Ag3 N16 O46 P S4 W12 -","- C52 H80 Ag12 N64 O184 P4 S16 W48 -","4","1","","Hu, Hailiang; Zhang, Weisong; Gong, Jingjing; Dong, Huan; Zhao, Fangfang; Huang, Hui; Liu, Yang; Zhang, Guangju; Kang, Zhenhui","Can tetrazole-functionalized ligands realize the role-control of Keggin-type POMs in hybrid frameworks?","CrystEngComm","2014","16","25","5642","","10.1039/c4ce00293h","","","0.71073","MoKα","","0.0534","0.0312","","","0.0607","0.0689","","","","","","1.022","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216436","12.294","0.0006","21.514","0.0011","19.633","0.001","90","","90","","90","","5192.8","0.5","293","2","293","2","","","","","","","","8","P b c m","-P 2c 2b","57","","","","- C8 H34 Ag4 N12 O55 P V W11 -","- C8 H4 Ag4 N12 O41 P V0.96 W11.04 -","- C32 H16 Ag16 N48 O164 P4 V3.84 W44.16 -","4","0.5","","Wang, Xiu-Li; Cao, Jing-Jing; Liu, Guo-Cheng; Tian, Ai-Xiang; Luan, Jian; Lin, Hong-Yan; Zhang, Ju-Wen; Li, Na","Keggin-based 3D frameworks tuned by silver polymeric motifs: effect of the bi(triazole) substituent group on the architectures","CrystEngComm","2014","16","25","5732","","10.1039/c4ce00147h","","","0.71069","MoKα","","0.0484","0.0398","","","0.1041","0.1082","","","","","","1.057","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216437","12.308","0.0014","21.532","0.003","19.998","0.002","90","","90","","90","","5299.8","1.1","293","2","293","2","","","","","","","","8","P b c m","-P 2c 2b","57","","","","- C8 H61 Ag4 N12 O68 Si V W11 -","- C8 H4 Ag4.49 N12 O43 Si V0.96 W11.04 -","- C32 H16 Ag17.96 N48 O172 Si4 V3.84 W44.16 -","4","0.5","","Wang, Xiu-Li; Cao, Jing-Jing; Liu, Guo-Cheng; Tian, Ai-Xiang; Luan, Jian; Lin, Hong-Yan; Zhang, Ju-Wen; Li, Na","Keggin-based 3D frameworks tuned by silver polymeric motifs: effect of the bi(triazole) substituent group on the architectures","CrystEngComm","2014","16","25","5732","","10.1039/c4ce00147h","","","0.71069","MoKα","","0.089","0.0754","","","0.1888","0.1976","","","","","","1.062","","","","has coordinates,has disorder","180495","2020-10-21","18:00:00",""
"7216438","14.376","0.0007","23.087","0.0008","21.206","0.0011","90","","130.199","0.014","90","","5375.9","1.2","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 Ag4 N12 O44 P V W11 -","- C18 H10 Ag4 N14 O44 P V0.96 W11.04 -","- C72 H40 Ag16 N56 O176 P4 V3.84 W44.16 -","4","1","","Wang, Xiu-Li; Cao, Jing-Jing; Liu, Guo-Cheng; Tian, Ai-Xiang; Luan, Jian; Lin, Hong-Yan; Zhang, Ju-Wen; Li, Na","Keggin-based 3D frameworks tuned by silver polymeric motifs: effect of the bi(triazole) substituent group on the architectures","CrystEngComm","2014","16","25","5732","","10.1039/c4ce00147h","","","0.71069","MoKα","","0.0648","0.0508","","","0.1231","0.1309","","","","","","1.045","","","","has coordinates,has disorder","180495","2020-10-21","18:00:00",""
"7216439","23.7011","0.0007","12.1758","0.0003","14.3519","0.0006","90","","105.526","0.002","90","","3990.5","0.2","173","0.2","173","0.2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H12.6 N2 O11.3 Zr -","- C14 H10 N2 O11.259 Zr -","- C112 H80 N16 O90.072 Zr8 -","8","1","","Lee, Nam Hee; Lee, Dong Woo; Yeo, Hakmin; Kwak, Kyungwon; Chun, Hyang Sook; Ok, Kang Min","A molecular porous zirconium‒organic material exhibiting highly selective CO2 adsorption, high thermal stability, reversible hydration, facile ligand exchange and exclusive dimerization of phenylacetylene","CrystEngComm","2014","16","25","5619","","10.1039/c4ce00253a","","","0.71073","MoKα","","0.0696","0.0529","","","0.1534","0.1602","","","","","","1.454","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216440","30.4402","0.0013","11.6778","0.0004","15.9518","0.0006","90","","99.695","0.003","90","","5589.5","0.4","173","0.2","173","0.2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H27 N5 O11 Zr -","- C23 H27 N5 O11 Zr -","- C184 H216 N40 O88 Zr8 -","8","1","","Lee, Nam Hee; Lee, Dong Woo; Yeo, Hakmin; Kwak, Kyungwon; Chun, Hyang Sook; Ok, Kang Min","A molecular porous zirconium‒organic material exhibiting highly selective CO2 adsorption, high thermal stability, reversible hydration, facile ligand exchange and exclusive dimerization of phenylacetylene","CrystEngComm","2014","16","25","5619","","10.1039/c4ce00253a","","","0.71073","MoKα","","0.1339","0.0419","","","0.0754","0.0948","","","","","","0.724","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216441","9.6801","0.0002","18.9975","0.0003","21.3644","0.0003","90","","90","","90","","3928.86","0.12","173","0.2","173","0.2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H18 N2 O11 Zr -","- C17 H18 N2 O11 Zr -","- C136 H144 N16 O88 Zr8 -","8","1","","Lee, Nam Hee; Lee, Dong Woo; Yeo, Hakmin; Kwak, Kyungwon; Chun, Hyang Sook; Ok, Kang Min","A molecular porous zirconium‒organic material exhibiting highly selective CO2 adsorption, high thermal stability, reversible hydration, facile ligand exchange and exclusive dimerization of phenylacetylene","CrystEngComm","2014","16","25","5619","","10.1039/c4ce00253a","","","0.71073","MoKα","","0.057","0.0317","","","0.0664","0.0733","","","","","","0.913","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216442","12.3032","0.0016","11.0287","0.0015","19.618","0.003","90","","90.411","0.002","90","","2661.9","0.6","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 Cl2 Cu N4 O8 S2 -","- C24 H18 Cl2 Cu N4 O8 S2 -","- C96 H72 Cl8 Cu4 N16 O32 S8 -","4","0.5","","Zhao, Fangfang; Dong, Huan; Liu, BeiBei; Zhang, Guangju; Huang, Hui; Hu, Hailiang; Liu, Yang; Kang, Zhenhui","Tuning luminescence via transition metal-directed strategy in coordination polymers","CrystEngComm","2014","16","21","4422","","10.1039/c3ce42566e","","","0.71073","MoKα","","0.0276","0.0251","","","0.0664","0.0677","","","","","","1.046","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216443","5.4158","0.0006","11.4254","0.0013","12.559","0.0014","114.573","0.002","90.156","0.002","95.928","0.002","702.06","0.14","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H18 Cl2 Co N4 O10 S2 -","- C24 H18 Cl2 Co N4 O10 S2 -","- C24 H18 Cl2 Co N4 O10 S2 -","1","0.5","","Zhao, Fangfang; Dong, Huan; Liu, BeiBei; Zhang, Guangju; Huang, Hui; Hu, Hailiang; Liu, Yang; Kang, Zhenhui","Tuning luminescence via transition metal-directed strategy in coordination polymers","CrystEngComm","2014","16","21","4422","","10.1039/c3ce42566e","","","0.71073","MoKα","","0.0292","0.0272","","","0.0737","0.0749","","","","","","1.026","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216444","5.4158","0.0006","11.4254","0.0013","12.559","0.0014","114.573","0.002","90.156","0.002","95.928","0.002","702.06","0.14","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H18 Cl2 Mn N4 O10 S2 -","- C24 H18 Cl2 Mn N4 O10 S2 -","- C24 H18 Cl2 Mn N4 O10 S2 -","1","0.5","","Zhao, Fangfang; Dong, Huan; Liu, BeiBei; Zhang, Guangju; Huang, Hui; Hu, Hailiang; Liu, Yang; Kang, Zhenhui","Tuning luminescence via transition metal-directed strategy in coordination polymers","CrystEngComm","2014","16","21","4422","","10.1039/c3ce42566e","","","0.71073","MoKα","","0.0367","0.0346","","","0.091","0.0924","","","","","","1.018","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216445","7.4679","0.0007","10.8411","0.001","11.3461","0.0011","77.045","0.002","70.917","0.001","76.493","0.002","833.1","0.14","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H13 Ag Cl N3 O4 S -","- C17 H13 Ag Cl N3 O4 S -","- C34 H26 Ag2 Cl2 N6 O8 S2 -","2","1","","Zhao, Fangfang; Dong, Huan; Liu, BeiBei; Zhang, Guangju; Huang, Hui; Hu, Hailiang; Liu, Yang; Kang, Zhenhui","Tuning luminescence via transition metal-directed strategy in coordination polymers","CrystEngComm","2014","16","21","4422","","10.1039/c3ce42566e","","","0.71073","MoKα","","0.0315","0.026","","","0.0594","0.0616","","","","","","1.011","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216446","10.1145","0.0008","10.2684","0.0008","10.8689","0.0009","74.219","0.001","68.085","0.001","64.291","0.001","935.39","0.13","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H12 Cd Cl N3 O5 S -","- C17 H12 Cd Cl N3 O5 S -","- C34 H24 Cd2 Cl2 N6 O10 S2 -","2","1","","Zhao, Fangfang; Dong, Huan; Liu, BeiBei; Zhang, Guangju; Huang, Hui; Hu, Hailiang; Liu, Yang; Kang, Zhenhui","Tuning luminescence via transition metal-directed strategy in coordination polymers","CrystEngComm","2014","16","21","4422","","10.1039/c3ce42566e","","","0.71073","MoKα","","0.0251","0.0241","","","0.0673","0.0679","","","","","","1.026","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216447","15.746","0.004","10.962","0.003","22.411","0.005","90","","109.335","0.004","90","","3650.1","1.6","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H24 Cl2 N6 O9 S2 Zn2 -","- C34 H24 Cl2 N6 O9 S2 Zn2 -","- C136 H96 Cl8 N24 O36 S8 Zn8 -","4","0.5","","Zhao, Fangfang; Dong, Huan; Liu, BeiBei; Zhang, Guangju; Huang, Hui; Hu, Hailiang; Liu, Yang; Kang, Zhenhui","Tuning luminescence via transition metal-directed strategy in coordination polymers","CrystEngComm","2014","16","21","4422","","10.1039/c3ce42566e","","","0.71073","MoKα","","0.0415","0.031","","","0.0769","0.0824","","","","","","1.008","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216448","26.6699","0.0005","37.3628","0.0009","54.356","0.001","90","","90","","90","","54163.7","1.9","100","2","100","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C89 H105.2 N5 O42.6 S8 -","- C89 H75 N5 O42.6 S8 -","- C1424 H1200 N80 O681.6 S128 -","16","0.5","","Lesniewska, B.; Perret, F.; Suwinska, K.; Coleman, A. W.","Structural characterization of inclusion complexes of para-sulphonato-calix[8]arene with 1,2-bis(4-pyridyl)-ethane and 1,3-bis(4-pyridyl)-propane. New ‘double cone’ and ‘up‒flat‒down’ conformations of para-sulphonato-calix[8]arene","CrystEngComm","2014","16","21","4399","","10.1039/c3ce42303d","","","0.71073","MoKα","","0.1805","0.1429","","","0.3737","0.3943","","","","","","1.612","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7216449","14.6443","0.0004","19.4468","0.0006","26.594","0.001","99.79","0.002","90.699","0.001","107.796","0.004","7089.5","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C121 H176 N10 O61 S8 -","- C120.75 H124 N10 O61 S8 -","- C241.5 H248 N20 O122 S16 -","2","1","","Lesniewska, B.; Perret, F.; Suwinska, K.; Coleman, A. W.","Structural characterization of inclusion complexes of para-sulphonato-calix[8]arene with 1,2-bis(4-pyridyl)-ethane and 1,3-bis(4-pyridyl)-propane. New ‘double cone’ and ‘up‒flat‒down’ conformations of para-sulphonato-calix[8]arene","CrystEngComm","2014","16","21","4399","","10.1039/c3ce42303d","","","0.71073","MoKα","","0.1756","0.1094","","","0.2716","0.3107","","","","","","0.996","","","","has coordinates,has disorder","180495","2020-10-21","18:00:00",""
"7216450","9.926","0.003","10.992","0.004","7.12","0.002","90","","90","","90","","776.8","0.4","293","2","293","2","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- C3 Gd Na3 O9 -","- C3 Gd Na3 O9 -","- C12 Gd4 Na12 O36 -","4","0.5","","Luo, Min; Lin, Chensheng; Zou, Guohong; Ye, Ning; Cheng, Wendan","Sodium–rare earth carbonates with shorite structure and large second harmonic generation response","CrystEngComm","2014","16","21","4414","","10.1039/c4ce00183d","","","0.71073","MoKα","","0.0167","0.0162","","","0.0435","0.0437","","","","","","1.152","","","","has coordinates","278046","2022-09-21","15:45:42",""
"7216451","9.82","0.014","10.883","0.016","7.038","0.009","90","","90","","90","","752.2","1.8","293","2","293","2","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- C3 Na3 O9 Y -","- C3 Na3 O9 Y -","- C12 Na12 O36 Y4 -","4","0.5","","Luo, Min; Lin, Chensheng; Zou, Guohong; Ye, Ning; Cheng, Wendan","Sodium–rare earth carbonates with shorite structure and large second harmonic generation response","CrystEngComm","2014","16","21","4414","","10.1039/c4ce00183d","","","0.71073","MoKα","","0.0392","0.0326","","","0.0636","0.0665","","","","","","1.08","","","","has coordinates","278046","2022-09-21","15:45:42",""
"7216452","5.7765","0.0006","13.4566","0.0013","19.456","0.002","90","","90","","90","","1512.4","0.3","150","2","150","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 Cl N3 O -","- C15 H18 Cl N3 O -","- C60 H72 Cl4 N12 O4 -","4","1","","Davey, Roger J.; Sadiq, Ghazala; Seaton, Colin C.; Pritchard, Robin G.; Coquerel, Gerard; Rougeot, Celine","Racemic compound versus conglomerate: concerning the crystal chemistry of the triazoylketone, 1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-one","CrystEngComm","2014","16","21","4377","","10.1039/c4ce00615a","","x-ray","0.71073","MoKα","","0.0881","0.0557","","","0.0774","0.0901","","","","","","1.007","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216453","10.3388","0.0007","10.3388","0.0007","9.4073","0.0012","90","","90","","90","","1005.55","0.16","296","2","296","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C2 H8 Al Ge3 N O8 -","- C2 H4 Al Ge3 N O8 -","- C8 H16 Al4 Ge12 N4 O32 -","4","0.5","","Wang, Jiahong; Zhang, Yu; Zhang, Zaichao; Xu, Yan","Synthesis and structural characterization of three 3-D aluminogermanates with different topologies","CrystEngComm","2014","16","23","5103","","10.1039/c3ce42585a","","","0.71073","MoKα","","0.0306","0.0288","","","0.1166","0.1179","","","","","","1.057","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216454","10.3404","0.0003","10.3404","0.0003","9.4021","0.0007","90","","90","","90","","1005.31","0.09","293","2","293","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C2 H8 Al Ge3 N O8 -","- C2 H8 Al Ge3 N O8 -","- C8 H32 Al4 Ge12 N4 O32 -","4","0.5","","Wang, Jiahong; Zhang, Yu; Zhang, Zaichao; Xu, Yan","Synthesis and structural characterization of three 3-D aluminogermanates with different topologies","CrystEngComm","2014","16","23","5103","","10.1039/c3ce42585a","","","0.71073","MoKα","","0.0271","0.0253","","","0.0756","0.0765","","","","","","1.125","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216455","16.4699","0.0007","16.4699","0.0007","16.4699","0.0007","90","","90","","90","","4467.6","0.3","293","2","293","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C7 H29 Al3 Ge3 N7 Ni O12 -","- C7 H12 Al3 Ge3 N6.99 Ni O12 -","- C56 H96 Al24 Ge24 N55.92 Ni8 O96 -","8","0.333333","","Wang, Jiahong; Zhang, Yu; Zhang, Zaichao; Xu, Yan","Synthesis and structural characterization of three 3-D aluminogermanates with different topologies","CrystEngComm","2014","16","23","5103","","10.1039/c3ce42585a","","","0.71073","MoKα","","0.05","0.0389","","","0.1193","0.1243","","","","","","1.136","","","","has coordinates,has disorder","180495","2020-10-21","18:00:00",""
"7216456","22.0842","0.0002","22.0842","0.0002","28.0921","0.0006","90","","90","","120","","11865.3","0.3","296","2","296","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C30 H35 K4 La3 N12 O74 Si W12 -","- C30 H15 K3.99 La3 N12 O69.49 Si W12 -","- C180 H90 K23.94 La18 N72 O416.94 Si6 W72 -","6","0.333333","","Gao, Guang-Gang; Song, Chao-Yu; Zong, Xi-Ming; Chai, Dong-Feng; Liu, Hong; Zou, Yu-Long; Liu, Jian-Xun; Qiu, Yun-Feng","Solvent-controlled 3D lanthanide‒polyoxometalate frameworks: reduction and stabilization of Ag nanocomposites and catalytic properties","CrystEngComm","2014","16","23","5150","","10.1039/c4ce00403e","","","0.71073","MoKα","","0.0438","0.0327","","","0.0716","0.0763","","","","","","1.011","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216457","22.152","0.0004","22.152","0.0004","28.2012","0.0012","90","","90","","120","","11984.6","0.6","296","2","296","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C30 H33 Ce3 K4 N12 O73 Si W12 -","- C30 H15 Ce3 K3.99 N12 O70.48 Si W12 -","- C180 H90 Ce18 K23.94 N72 O422.88 Si6 W72 -","6","0.333333","","Gao, Guang-Gang; Song, Chao-Yu; Zong, Xi-Ming; Chai, Dong-Feng; Liu, Hong; Zou, Yu-Long; Liu, Jian-Xun; Qiu, Yun-Feng","Solvent-controlled 3D lanthanide‒polyoxometalate frameworks: reduction and stabilization of Ag nanocomposites and catalytic properties","CrystEngComm","2014","16","23","5150","","10.1039/c4ce00403e","","","0.71073","MoKα","","0.0269","0.0227","","","0.0513","0.0533","","","","","","1.012","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216458","13.685","0.005","13.144","0.004","22.649","0.007","90","","100.551","0.005","90","","4005","2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H46 La4 N8 O75 Si W12 -","- C20 H8 La4 N8 O73 Si W12 -","- C40 H16 La8 N16 O146 Si2 W24 -","2","0.5","","Gao, Guang-Gang; Song, Chao-Yu; Zong, Xi-Ming; Chai, Dong-Feng; Liu, Hong; Zou, Yu-Long; Liu, Jian-Xun; Qiu, Yun-Feng","Solvent-controlled 3D lanthanide‒polyoxometalate frameworks: reduction and stabilization of Ag nanocomposites and catalytic properties","CrystEngComm","2014","16","23","5150","","10.1039/c4ce00403e","","","0.71073","MoKα","","0.1585","0.0838","","","0.1734","0.2035","","","","","","1.01","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7216459","13.7014","0.001","13.1554","0.001","22.7273","0.0017","90","","100.366","0.001","90","","4029.7","0.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H46 Ce4 N8 O75 Si W12 -","- C20 H8 Ce4 N8 O78 Si W12 -","- C40 H16 Ce8 N16 O156 Si2 W24 -","2","0.5","","Gao, Guang-Gang; Song, Chao-Yu; Zong, Xi-Ming; Chai, Dong-Feng; Liu, Hong; Zou, Yu-Long; Liu, Jian-Xun; Qiu, Yun-Feng","Solvent-controlled 3D lanthanide‒polyoxometalate frameworks: reduction and stabilization of Ag nanocomposites and catalytic properties","CrystEngComm","2014","16","23","5150","","10.1039/c4ce00403e","","","0.71073","MoKα","","0.0782","0.073","","","0.1487","0.1514","","","","","","1.014","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7216463","16.529","0.002","16.529","0.002","16.604","0.002","90","","90","","90","","4536.3","0.9","293","2","293","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C40 H38 Cl2 N8 O11 S4 Zn -","- C40 H38 Cl2 N8 O11 S4 Zn -","- C160 H152 Cl8 N32 O44 S16 Zn4 -","4","0.5","","De la Pinta, Noelia; Caballero, Ana B.; Madariaga, Gotzon; Ezpeleta, José M.; Rodriguez-Dieguez, Antonio; Salas, Juan M.; Cortés, Roberto","DPDS‒DPS in situ transformation at room temperature via a 1,2-nucleophilic addition mechanism","CrystEngComm","2014","16","36","8322","","10.1039/C4CE00781F","","","0.71073","MoKα","","0.0511","0.046","","","0.1156","0.1195","","","","","","1.021","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216464","9.694","0.003","11.143","0.004","11.326","0.003","87.71","0.04","76.9","0.03","67.65","0.04","1100.6","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H32 Mn N10 S6 -","- C42 H32 Mn N10 S6 -","- C42 H32 Mn N10 S6 -","1","0.5","","De la Pinta, Noelia; Caballero, Ana B.; Madariaga, Gotzon; Ezpeleta, José M.; Rodriguez-Dieguez, Antonio; Salas, Juan M.; Cortés, Roberto","DPDS‒DPS in situ transformation at room temperature via a 1,2-nucleophilic addition mechanism","CrystEngComm","2014","16","36","8322","","10.1039/C4CE00781F","","","0.71073","MoKα","","0.1201","0.0394","","","","0.094","","","","","","0.787","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216465","14.545","0.003","14.834","0.003","12.805","0.004","90","","90","","90","","2762.8","1.2","293","2","293","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C12 H8 N4 O2 S Zn -","- C12 H8 N4 O2 S Zn -","- C96 H64 N32 O16 S8 Zn8 -","8","1","","De la Pinta, Noelia; Caballero, Ana B.; Madariaga, Gotzon; Ezpeleta, José M.; Rodriguez-Dieguez, Antonio; Salas, Juan M.; Cortés, Roberto","DPDS‒DPS in situ transformation at room temperature via a 1,2-nucleophilic addition mechanism","CrystEngComm","2014","16","36","8322","","10.1039/C4CE00781F","","","0.71069","MoKα","","0.1409","0.029","","","","0.0613","","","","","","0.801","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216466","17.001","0.006","10.288","0.004","16.629","0.006","90","","118.53","0.04","90","","2555.3","1.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 Fe N6 O2 S4 -","- C22 H20 Fe N6 O2 S4 -","- C88 H80 Fe4 N24 O8 S16 -","4","0.5","","De la Pinta, Noelia; Caballero, Ana B.; Madariaga, Gotzon; Ezpeleta, José M.; Rodriguez-Dieguez, Antonio; Salas, Juan M.; Cortés, Roberto","DPDS‒DPS in situ transformation at room temperature via a 1,2-nucleophilic addition mechanism","CrystEngComm","2014","16","36","8322","","10.1039/C4CE00781F","","","0.71069","MoKα","","0.2429","0.0446","","","","0.1051","","","","","","0.625","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216467","5.5092","0.0017","15.45","0.005","7.287","0.002","90","","90","","90","","620.2","0.3","296","2","296","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Ba O6 Pb Si2 -","- Ba O6 Pb Si2 -","- Ba4 O24 Pb4 Si8 -","4","0.25","","Dong, Lingyun; Pan, Shilie; Wang, Ying; Yu, Hongwei; Bian, Qiang; Yang, Zhihua; Wu, Hongping; Zhang, Min","BaPbSi2O6·BaSO4: the first mixed anionic compound synthesized via BaSO4 salt-inclusion","CrystEngComm","2014","","","","","10.1039/c4ce00527a","","","0.71073","MoKα","","0.0238","0.0202","","","0.0474","0.0494","","","","","","1.061","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216468","7.252","0.0011","5.4841","0.0008","24.352","0.004","90","","90","","90","","968.5","0.3","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Ba2 O10 Pb S Si2 -","- Ba2 O10 Pb S Si2 -","- Ba8 O40 Pb4 S4 Si8 -","4","0.5","","Dong, Lingyun; Pan, Shilie; Wang, Ying; Yu, Hongwei; Bian, Qiang; Yang, Zhihua; Wu, Hongping; Zhang, Min","BaPbSi2O6·BaSO4: the first mixed anionic compound synthesized via BaSO4 salt-inclusion","CrystEngComm","2014","","","","","10.1039/c4ce00527a","","","0.71073","MoKα","","0.044","0.0297","","","0.0566","0.0608","","","","","","1.029","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216469","6.314","0.01","5.031","0.009","7.334","0.009","90","","90","","90","","233","0.6","295","2","295","2","","","1220000","","","","","3","C m c 21","C 2c -2","36","methyl chloride","chloromethane","","- C H3 Cl -","- C H3 Cl -","- C4 H12 Cl4 -","4","0.5","","Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej","Halogen∙∙∙halogen contra C−H∙∙∙halogen","CrystEngComm","2014","","","","","10.1039/c4ce00241e","","","0.71073","MoKα","","0.0357","0.0302","","","0.0476","0.053","","","","","","1.216","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216470","6.183","0.01","4.904","0.005","7.317","0.017","90","","90","","90","","221.9","0.7","295","2","295","2","","","1690000","","","","","3","C m c 21","C 2c -2","36","methyl chloride","chloromethane","","- C H3 Cl -","- C H3 Cl -","- C4 H12 Cl4 -","4","0.5","","Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej","Halogen∙∙∙halogen contra C−H∙∙∙halogen","CrystEngComm","2014","","","","","10.1039/c4ce00241e","","","0.71073","MoKα","","0.019","0.014","","","0.0202","0.0216","","","","","","1.283","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216471","6.018","0.005","4.832","0.011","7.035","0.011","90","","90","","90","","204.6","0.6","295","2","295","2","","","2910000","","","","","3","C m c 21","C 2c -2","36","methyl chloride","chloromethane","","- C H3 Cl -","- C H3 Cl -","- C4 H12 Cl4 -","4","0.5","","Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej","Halogen∙∙∙halogen contra C−H∙∙∙halogen","CrystEngComm","2014","","","","","10.1039/c4ce00241e","","","0.71073","MoKα","","0.0136","0.0128","","","0.022","0.0221","","","","","","1.111","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216472","5.967","0.015","4.708","0.004","6.984","0.015","90","","90","","90","","196.2","0.7","295","2","295","2","","","4380000","","","","","3","C m c 21","C 2c -2","36","methyl chloride","chloromethane","","- C H3 Cl -","- C H3 Cl -","- C4 H12 Cl4 -","4","0.5","","Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej","Halogen∙∙∙halogen contra C−H∙∙∙halogen","CrystEngComm","2014","","","","","10.1039/c4ce00241e","","","0.71073","MoKα","","0.0212","0.0208","","","0.0474","0.0476","","","","","","1.278","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216473","4.372","0.005","6.375","0.005","9.196","0.009","90","","90","","90","","256.3","0.4","295","2","295","2","","","1110000","","","","","3","P n m a","-P 2ac 2n","62","methyl bromide","bromomethane","","- C H3 Br -","- C H3 Br -","- C4 H12 Br4 -","4","0.5","","Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej","Halogen∙∙∙halogen contra C−H∙∙∙halogen","CrystEngComm","2014","","","","","10.1039/c4ce00241e","","","0.71073","MoKα","","0.0416","0.0253","","","0.0455","0.0484","","","","","","1.053","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216474","4.331","0.003","6.358","0.005","9.142","0.006","90","","90","","90","","251.7","0.3","295","2","295","2","","","1500000","","","","","3","P n m a","-P 2ac 2n","62","methyl bromide","bromomethane","","- C H3 Br -","- C H3 Br -","- C4 H12 Br4 -","4","0.5","","Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej","Halogen∙∙∙halogen contra C−H∙∙∙halogen","CrystEngComm","2014","","","","","10.1039/c4ce00241e","","","0.71073","MoKα","","0.02","0.0139","","","0.0234","0.0243","","","","","","1.041","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216475","6.387","0.009","5.163","0.005","7.492","0.005","90","","90","","90","","247.1","0.5","295","2","295","2","","","1550000","","","","","3","C m c 21","C 2c -2","36","methyl bromide","bromomethane","","- C H3 Br -","- C H3 Br -","- C4 H12 Br4 -","4","0.5","","Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej","Halogen∙∙∙halogen contra C−H∙∙∙halogen","CrystEngComm","2014","","","","","10.1039/c4ce00241e","","","0.71073","MoKα","","0.0473","0.039","","","0.0712","0.0756","","","","","","1.171","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216476","6.378","0.01","5.133","0.009","7.413","0.009","90","","90","","90","","242.7","0.6","295","2","295","2","","","1830000","","","","","3","C m c 21","C 2c -2","36","methyl bromide","bromomethane","","- C H3 Br -","- C H3 Br -","- C4 H12 Br4 -","4","0.5","","Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej","Halogen∙∙∙halogen contra C−H∙∙∙halogen","CrystEngComm","2014","","","","","10.1039/c4ce00241e","","","0.71073","MoKα","","0.0363","0.0273","","","0.05","0.0545","","","","","","1.196","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216477","6.236","0.005","5.017","0.006","7.394","0.019","90","","90","","90","","231.3","0.7","295","2","295","2","","","2850000","","","","","3","C m c 21","C 2c -2","36","methyl bromide","bromomethane","","- C H3 Br -","- C H3 Br -","- C4 H12 Br4 -","4","0.5","","Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej","Halogen∙∙∙halogen contra C−H∙∙∙halogen","CrystEngComm","2014","","","","","10.1039/c4ce00241e","","","0.71073","MoKα","","0.0171","0.0145","","","0.0316","0.0325","","","","","","1.123","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216478","25.985","0.005","13.713","0.003","24.798","0.005","90","","112.39","0.03","90","","8170","3","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H36 Cu3 N6 O9 -","- C36 H36 Cu3 N6 O9 -","- C288 H288 Cu24 N48 O72 -","8","1","","Wu, Shu-Ting; Tang, Hong-Liang; Lu, Shu-Mei; Ye, Qiao-Yan; Huang, Xi-He; Huang, Chang-Cang; Hu, Xiao-Lin; Zheng, Shou-Tian","Delicate modulated assembly of a new kind of trinuclear copper(ii) motif governed by N-containing agents","CrystEngComm","2014","16","42","9792","","10.1039/C4CE00898G","","","0.71073","MoKα","","0.084","0.0746","","","0.1692","0.1755","","","","","","1.136","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216479","22.533","0.004","23.066","0.005","14.201","0.003","90","","90","","90","","7381","3","293","2","293","2","","","","","","","","5","P b a 2","P 2 -2ab","32","","","","- C68 H63 Cu6 N11 O17 -","- C68 H63 Cu6 N11 O17 -","- C272 H252 Cu24 N44 O68 -","4","1","","Wu, Shu-Ting; Tang, Hong-Liang; Lu, Shu-Mei; Ye, Qiao-Yan; Huang, Xi-He; Huang, Chang-Cang; Hu, Xiao-Lin; Zheng, Shou-Tian","Delicate modulated assembly of a new kind of trinuclear copper(ii) motif governed by N-containing agents","CrystEngComm","2014","16","42","9792","","10.1039/C4CE00898G","","","0.71073","MoKα","","0.0939","0.0535","","","0.1312","0.1525","","","","","","0.85","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216480","9.6951","0.0019","21.832","0.004","19.246","0.004","90","","97.76","0.03","90","","4036.4","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H39 Cu3 N7 O10 -","- C37 H39 Cu3 N7 O10 -","- C148 H156 Cu12 N28 O40 -","4","1","","Wu, Shu-Ting; Tang, Hong-Liang; Lu, Shu-Mei; Ye, Qiao-Yan; Huang, Xi-He; Huang, Chang-Cang; Hu, Xiao-Lin; Zheng, Shou-Tian","Delicate modulated assembly of a new kind of trinuclear copper(ii) motif governed by N-containing agents","CrystEngComm","2014","16","42","9792","","10.1039/C4CE00898G","","","0.71073","MoKα","","0.1502","0.072","","","0.1626","0.206","","","","","","0.959","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216481","14.76","0.003","14.694","0.003","18.395","0.004","90","","98.88","0.03","90","","3941.8","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H33 Cu3 N7 O7 -","- C41 H33 Cu3 N7 O7 -","- C164 H132 Cu12 N28 O28 -","4","1","","Wu, Shu-Ting; Tang, Hong-Liang; Lu, Shu-Mei; Ye, Qiao-Yan; Huang, Xi-He; Huang, Chang-Cang; Hu, Xiao-Lin; Zheng, Shou-Tian","Delicate modulated assembly of a new kind of trinuclear copper(ii) motif governed by N-containing agents","CrystEngComm","2014","16","42","9792","","10.1039/C4CE00898G","","","0.71073","MoKα","","0.0689","0.0421","","","0.1233","0.1422","","","","","","0.922","","","","has coordinates,has disorder","180495","2020-10-21","18:00:00",""
"7216482","41.72","0.003","8.6534","0.0005","28.881","0.002","90","","120.329","0.005","90","","8999.6","1.1","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41.5 H51.5 Cu3 N10.5 O11.5 -","- C41.5 H51.5 Cu3 N10.5 O11.5 -","- C332 H412 Cu24 N84 O92 -","8","1","","Wu, Shu-Ting; Tang, Hong-Liang; Lu, Shu-Mei; Ye, Qiao-Yan; Huang, Xi-He; Huang, Chang-Cang; Hu, Xiao-Lin; Zheng, Shou-Tian","Delicate modulated assembly of a new kind of trinuclear copper(ii) motif governed by N-containing agents","CrystEngComm","2014","16","42","9792","","10.1039/C4CE00898G","","","0.71073","MoKα","","0.0852","0.0634","","","0.1486","0.1666","","","","","","1.05","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216483","23.049","0.005","11.765","0.005","22.522","0.005","90","0.005","101.828","0.005","90","0.005","5978","3","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H30 Ag5 Mo12 N10 O43 P -","- C32 H24 Ag5 Mo12 N10 O40 P -","- C128 H96 Ag20 Mo48 N40 O160 P4 -","4","0.5","","Zhou, Wei-Li; Liang, Jun; Qin, Chao; Shao, Kui-Zhan; Wang, Fang-Ming; Su, Zhong-Min","Syntheses, crystal structures and properties of inorganic‒organic hybrids constructed from Keggin-type polyoxometalates and silver coordination compounds","CrystEngComm","2014","16","32","7410","","10.1039/C4CE00633J","","","0.71069","MoKα","","0.0941","0.0448","","","0.082","0.1026","","","","","","1.055","","","","has coordinates,has disorder","180495","2020-10-21","18:00:00",""
"7216484","12.977","0.005","20.255","0.005","21.995","0.005","90","0.005","97.708","0.005","90","0.005","5729","3","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 Ag4 Mo12 N12 Na O42 P -","- C24 H18 Ag4 Mo12 N12 Na O41 P -","- C96 H72 Ag16 Mo48 N48 Na4 O164 P4 -","4","1","","Zhou, Wei-Li; Liang, Jun; Qin, Chao; Shao, Kui-Zhan; Wang, Fang-Ming; Su, Zhong-Min","Syntheses, crystal structures and properties of inorganic‒organic hybrids constructed from Keggin-type polyoxometalates and silver coordination compounds","CrystEngComm","2014","16","32","7410","","10.1039/C4CE00633J","","","0.71069","MoKα","","0.0389","0.0265","","","0.0517","0.0553","","","","","","1.004","","","","has coordinates,has disorder","180495","2020-10-21","18:00:00",""
"7216485","11.396","0.005","11.792","0.005","13.376","0.005","65.249","0.005","80.299","0.005","61.303","0.005","1430.7","1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H28 Ag4 Mo12 N6 O42 P -","- C30 H24 Ag4 Mo12 N6 O42 P -","- C30 H24 Ag4 Mo12 N6 O42 P -","1","0.5","","Zhou, Wei-Li; Liang, Jun; Qin, Chao; Shao, Kui-Zhan; Wang, Fang-Ming; Su, Zhong-Min","Syntheses, crystal structures and properties of inorganic‒organic hybrids constructed from Keggin-type polyoxometalates and silver coordination compounds","CrystEngComm","2014","16","32","7410","","10.1039/C4CE00633J","","","0.71069","MoKα","","0.0516","0.0385","","","0.084","0.0901","","","","","","1.083","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216486","22.902","0.005","11.913","0.005","22.594","0.005","90","0.005","101.657","0.005","90","0.005","6037","3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H30 Ag5 N10 O43 P W12 -","- C32 H24 Ag5 N10 O40 P W12 -","- C128 H96 Ag20 N40 O160 P4 W48 -","4","0.5","","Zhou, Wei-Li; Liang, Jun; Qin, Chao; Shao, Kui-Zhan; Wang, Fang-Ming; Su, Zhong-Min","Syntheses, crystal structures and properties of inorganic‒organic hybrids constructed from Keggin-type polyoxometalates and silver coordination compounds","CrystEngComm","2014","16","32","7410","","10.1039/C4CE00633J","","","0.71069","MoKα","","0.0758","0.0548","","","0.1123","0.1207","","","","","","1.093","","","","has coordinates,has disorder","180495","2020-10-21","18:00:00",""
"7216487","10.324","0.003","18.828","0.005","21.852","0.006","69.016","0.006","84.428","0.01","75.039","0.01","3831.4","1.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","[(±)-2,7,12-tripropoxy-3,8,13-tris(4-pyridylcarboxy)-10,15- dihydro-5H-tribenzo[a,d,g]cyclononene]silver (I) cobalt(III) bis(dicarbollide) hydrate dimethylformamide","","- C59.5 H86.5 Ag B18 Co N5.5 O12.5 -","- C59.5 H84.5 Ag B18 Co N5.5 O12.5 -","- C119 H169 Ag2 B36 Co2 N11 O25 -","2","1","","Henkelis, James J.; Hardie, Michaele J.","Tuning the coordination chemistry of cyclotriveratrylene ligand pairs through alkyl chain aggregation","CrystEngComm","2014","16","35","8138","","10.1039/C4CE00467A","","","0.6889","synchrotron","","0.0885","0.0807","","","0.2334","0.2426","","","","","","1.069","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7216488","38.7","0.003","9.6729","0.001","38.853","0.004","90","","111.954","0.004","90","","13490","2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","aquodonitro[(±)-2,7,12-tripropoxy-3,8,13-tris(4-pyridylcarboxy)- 10,15-dihydro-5H-tribenzo[a,d,g]cyclononene]cadmium(II) diethylether dimethylformamide clathrate","","- C106 H118 Cd2 N12 O35 -","- C106 H114 Cd2 N12 O35 -","- C424 H456 Cd8 N48 O140 -","4","0.5","","Henkelis, James J.; Hardie, Michaele J.","Tuning the coordination chemistry of cyclotriveratrylene ligand pairs through alkyl chain aggregation","CrystEngComm","2014","16","35","8138","","10.1039/C4CE00467A","","","0.71073","MoKα","","0.1749","0.1335","","","0.385","0.4291","","","","","","1.617","","","","has coordinates,has disorder","180495","2020-10-21","18:00:00",""
"7216489","19.3628","0.0007","43.7924","0.0011","16.6371","0.0006","90","","90.525","0.003","90","","14106.7","0.8","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","{(±)-2,7,12-tripropoxy-3,8,13- tris(2-quinolylmethyl)-10,15-dihydro-5H-tribenzo[a,d,g] cyclononene}silver(I) cobalt(III) bis(dicarbollide) nitromethane","","- C129.5 H163.5 Ag2 B36 Co2 N7.5 O15 -","- C129.5 H163.5 Ag2 B36 Co2 N7.5 O15 -","- C518 H654 Ag8 B144 Co8 N30 O60 -","4","1","","Henkelis, James J.; Hardie, Michaele J.","Tuning the coordination chemistry of cyclotriveratrylene ligand pairs through alkyl chain aggregation","CrystEngComm","2014","16","35","8138","","10.1039/C4CE00467A","","","0.6889","synchrotron","","0.135","0.1128","","","0.3054","0.3462","","","","","","1.377","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7216490","21.057","0.005","44.917","0.009","40.687","0.008","90","","97.365","0.006","90","","38165","14","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[dodeca(trifluoroacetate)tetra{(±)-2,7,12-tripropoxy-3,8,13- tris(2-quinolylmethyl)-10,15-dihydro-5H-tribenzo[a,d,g] cyclononene}hexaplatinum(II) ether","","- C268 H234 F36 N12 O49 Pd6 -","- C268 H234 F36 N12 O49 Pd6 -","- C1072 H936 F144 N48 O196 Pd24 -","4","0.5","","Henkelis, James J.; Hardie, Michaele J.","Tuning the coordination chemistry of cyclotriveratrylene ligand pairs through alkyl chain aggregation","CrystEngComm","2014","16","35","8138","","10.1039/C4CE00467A","","","0.71073","MoKα","","0.1251","0.0914","","","0.2444","0.2572","","","","","","1.546","","","","has coordinates,has disorder","180495","2020-10-21","18:00:00",""
"7216491","13.745","0.0008","24.8293","0.0014","7.2076","0.0004","90","","95.191","0.001","90","","2449.7","0.2","95","2","95","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","1-Iodo-3,5-bis(4',4',5',5'-tetramethyl-4',5'-dihydro- 1'H-imidazole-1'-oxyl)benzene - co - dichloromethane","","- C21 H29.72 Cl2 I N4 O2.36 -","- C21 H29 Cl2 I N4 O2.36 -","- C84 H116 Cl8 I4 N16 O9.44 -","4","0.5","","Akpinar, Handan; Schlueter, John A.; Lahti, Paul M.","Organizing a bis(iminoylnitroxide) diradical into antiferromagnetically coupled chains by co-crystallization with dichloromethane","CrystEngComm","2014","16","26","5832","","10.1039/c4ce00207e","","x-ray","0.3936","synchrotron","","0.046","0.0404","","","0.1157","0.1192","","","","","","1.161","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216492","14.8642","0.0011","18.5544","0.0015","4.7094","0.0004","90","","90","","90","","1298.84","0.18","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","none","4-aminobenzoic acid + 2-acetaminopyridine","","- C14 H15 N3 O3 -","- C14 H15 N3 O3 -","- C56 H60 N12 O12 -","4","1","","Ramon, Gaëlle; Davies, Kate; Nassimbeni, Luigi R.","Structures of benzoic acids with substituted pyridines and quinolines: salt versus co-crystal formation","CrystEngComm","2014","16","26","5802","","10.1039/c3ce41963k","","","0.71073","MoKα","","0.0422","0.0329","","","0.0742","0.0788","","","","","","1.036","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216493","12.776","0.003","5.1844","0.001","19.547","0.004","90","","103.08","0.03","90","","1261.1","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","none","benzoic acid + 2-acetaminopyridine","","- C14 H14 N2 O3 -","- C14 H14 N2 O3 -","- C56 H56 N8 O12 -","4","1","","Ramon, Gaëlle; Davies, Kate; Nassimbeni, Luigi R.","Structures of benzoic acids with substituted pyridines and quinolines: salt versus co-crystal formation","CrystEngComm","2014","16","26","5802","","10.1039/c3ce41963k","","","0.71073","MoKα","","0.0783","0.0401","","","0.0935","0.1076","","","","","","0.974","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216494","8.4349","0.0017","23.547","0.005","7.127","0.0014","90","","90.22","0.03","90","","1415.5","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","none","4-aminobenzoic acid + 2-acetamido-6-methylpyridine","","- C15 H17 N3 O3 -","- C15 H17 N3 O3 -","- C60 H68 N12 O12 -","4","1","","Ramon, Gaëlle; Davies, Kate; Nassimbeni, Luigi R.","Structures of benzoic acids with substituted pyridines and quinolines: salt versus co-crystal formation","CrystEngComm","2014","16","26","5802","","10.1039/c3ce41963k","","","0.71073","MoKα","","0.1665","0.0583","","","0.1218","0.1566","","","","","","0.989","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216495","9.0318","0.0007","10.8602","0.0009","23.561","0.0019","90","","97.95","0.002","90","","2288.8","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","none","2(4-methoxybenzoic acid) + 4,4-bipyridine","","- C26 H24 N2 O6 -","- C26 H24 N2 O6 -","- C104 H96 N8 O24 -","4","1","","Ramon, Gaëlle; Davies, Kate; Nassimbeni, Luigi R.","Structures of benzoic acids with substituted pyridines and quinolines: salt versus co-crystal formation","CrystEngComm","2014","16","26","5802","","10.1039/c3ce41963k","","","0.71073","MoKα","","0.0598","0.0398","","","0.1011","0.1133","","","","","","1.029","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216496","7.3345","0.0015","9.1868","0.0018","21.307","0.004","90","","93.3","0.03","90","","1433.3","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","none","4-aminobenzoic acid + 6-aminoquinoline","","- C16 H15 N3 O2 -","- C16 H15 N3 O2 -","- C64 H60 N12 O8 -","4","1","","Ramon, Gaëlle; Davies, Kate; Nassimbeni, Luigi R.","Structures of benzoic acids with substituted pyridines and quinolines: salt versus co-crystal formation","CrystEngComm","2014","16","26","5802","","10.1039/c3ce41963k","","","0.71073","MoKα","","0.042","0.0363","","","0.0987","0.1032","","","","","","1.065","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216497","3.7592","0.0013","27.082","0.009","6.551","0.002","90","","90.735","0.008","90","","666.9","0.4","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","none","4-nitrobenzoic acid + quinoline","","- C16 H12 N2 O4 -","- C16 H12 N2 O4 -","- C32 H24 N4 O8 -","2","1","","Ramon, Gaëlle; Davies, Kate; Nassimbeni, Luigi R.","Structures of benzoic acids with substituted pyridines and quinolines: salt versus co-crystal formation","CrystEngComm","2014","16","26","5802","","10.1039/c3ce41963k","","","0.71073","MoKα","","0.0837","0.047","","","0.0901","0.1029","","","","","","0.99","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216498","11.5","0.002","15.191","0.003","12.228","0.002","90","","90","","90","","2136.2","0.7","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","none","benzoic acid + 2-aminopyridine","","- C12 H12 N2 O2 -","- C12 H12 N2 O2 -","- C96 H96 N16 O16 -","8","1","","Ramon, Gaëlle; Davies, Kate; Nassimbeni, Luigi R.","Structures of benzoic acids with substituted pyridines and quinolines: salt versus co-crystal formation","CrystEngComm","2014","16","26","5802","","10.1039/c3ce41963k","","","0.71073","MoKα","","0.1054","0.0443","","","0.0929","0.11","","","","","","0.95","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216499","9.6861","0.0007","10.3327","0.0007","12.0022","0.0008","90","","97.765","0.002","90","","1190.21","0.14","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","none","4-bromobenzoic acid + 2-aminopyridine","","- C12 H11 Br N2 O2 -","- C12 H11 Br N2 O2 -","- C48 H44 Br4 N8 O8 -","4","1","","Ramon, Gaëlle; Davies, Kate; Nassimbeni, Luigi R.","Structures of benzoic acids with substituted pyridines and quinolines: salt versus co-crystal formation","CrystEngComm","2014","16","26","5802","","10.1039/c3ce41963k","","","0.71073","MoKα","","0.0254","0.0208","","","0.0515","0.0533","","","","","","1.043","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216500","5.5541","0.0011","8.5531","0.0017","25.38","0.005","90","","90","","90","","1205.7","0.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","none","4-aminobenzoic acid + 2-amino-4-methylpyridine","","- C13 H15 N3 O2 -","- C13 H15 N3 O2 -","- C52 H60 N12 O8 -","4","1","","Ramon, Gaëlle; Davies, Kate; Nassimbeni, Luigi R.","Structures of benzoic acids with substituted pyridines and quinolines: salt versus co-crystal formation","CrystEngComm","2014","16","26","5802","","10.1039/c3ce41963k","","","0.71073","MoKα","","0.0802","0.0389","","","0.0711","0.0795","","","","","","0.94","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216501","9.4403","0.0019","11.509","0.002","12.69","0.003","90","","110.77","0.03","90","","1289.1","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","none","4-methoxybenzoic acid + 2-amino-6-methylpyridine","","- C14 H16 N2 O3 -","- C14 H16 N2 O3 -","- C56 H64 N8 O12 -","4","1","","Ramon, Gaëlle; Davies, Kate; Nassimbeni, Luigi R.","Structures of benzoic acids with substituted pyridines and quinolines: salt versus co-crystal formation","CrystEngComm","2014","16","26","5802","","10.1039/c3ce41963k","","","0.71073","MoKα","","0.0863","0.0423","","","0.0863","0.0972","","","","","","0.958","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216502","10.337","0.002","11.727","0.002","11.031","0.002","90","","105.53","0.03","90","","1288.4","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","none","4-methoxybenzoic acid + 2-amino-4-methylpyridine","","- C14 H16 N2 O3 -","- C14 H16 N2 O3 -","- C56 H64 N8 O12 -","4","1","","Ramon, Gaëlle; Davies, Kate; Nassimbeni, Luigi R.","Structures of benzoic acids with substituted pyridines and quinolines: salt versus co-crystal formation","CrystEngComm","2014","16","26","5802","","10.1039/c3ce41963k","","","0.71073","MoKα","","0.104","0.0462","","","0.1029","0.1209","","","","","","0.938","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216503","11.888","0.002","12.313","0.003","16.815","0.003","90","","90","","90","","2461.3","0.9","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","none","benzoic acid + 2-amino-6-methylpyridine","","- C13 H14 N2 O2 -","- C13 H14 N2 O2 -","- C104 H112 N16 O16 -","8","2","","Ramon, Gaëlle; Davies, Kate; Nassimbeni, Luigi R.","Structures of benzoic acids with substituted pyridines and quinolines: salt versus co-crystal formation","CrystEngComm","2014","16","26","5802","","10.1039/c3ce41963k","","","0.71073","MoKα","","0.1051","0.0525","","","0.1079","0.1297","","","","","","1.019","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216504","17.1239","0.0016","4.1317","0.0004","22.882","0.002","90","","111.762","0.002","90","","1503.5","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","none","4-bromobenzoic acid + 2-amino-6-methylpyridine + 2(water)","","- C13 H17 Br N2 O4 -","- C13 H15 Br N2 O4 -","- C52 H60 Br4 N8 O16 -","4","1","","Ramon, Gaëlle; Davies, Kate; Nassimbeni, Luigi R.","Structures of benzoic acids with substituted pyridines and quinolines: salt versus co-crystal formation","CrystEngComm","2014","16","26","5802","","10.1039/c3ce41963k","","","0.71073","MoKα","","0.0455","0.0303","","","0.0751","0.082","","","","","","1","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216505","9.5786","0.0019","11.539","0.002","11.311","0.002","90","","100.45","0.03","90","","1229.4","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","none","4-bromobenzoic acid + 2-amino-4-methylpyridine","","- C13 H13 Br N2 O2 -","- C13 H13 Br N2 O2 -","- C52 H52 Br4 N8 O8 -","4","1","","Ramon, Gaëlle; Davies, Kate; Nassimbeni, Luigi R.","Structures of benzoic acids with substituted pyridines and quinolines: salt versus co-crystal formation","CrystEngComm","2014","16","26","5802","","10.1039/c3ce41963k","","","0.71073","MoKα","","0.0387","0.0242","","","0.0526","0.0557","","","","","","1.048","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216506","11.478","0.002","15.142","0.003","19.266","0.004","90","","101.27","0.03","90","","3283.9","1.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Acetyl-3-phenyl-5-(9-anthryl)-2-pyrazoline. 2,2-bis(4-hydroxyphenyl)propane cocrystal","","- C40 H36 N2 O3 -","- C40 H36 N2 O3 -","- C160 H144 N8 O12 -","4","1","","Feng, Qi; Wang, Mingliang; Xu, Chunxiang; Khan, Arshad; Wu, Xiaojuan; Lu, Jiao; Wei, Xiang","Investigation of molecular arrangements and solid-state fluorescence properties of solvates and cocrystals of 1-acetyl-3-phenyl-5-(9-anthryl)-2-pyrazoline","CrystEngComm","2014","16","26","5820","","10.1039/c3ce42210k","","","0.71073","MoKα","","0.158","0.0659","","","0.1466","0.1906","","","","","","1.003","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216507","13.383","0.003","9.766","0.002","18.67","0.004","90","","100.97","0.03","90","","2395.5","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-acetyl-3-phenyl-5-(9-anthryl)-2-pyrazoline.chloroform solvate","","- C26 H21 Cl3 N2 O -","- C26 H21 Cl3 N2 O -","- C104 H84 Cl12 N8 O4 -","4","1","","Feng, Qi; Wang, Mingliang; Xu, Chunxiang; Khan, Arshad; Wu, Xiaojuan; Lu, Jiao; Wei, Xiang","Investigation of molecular arrangements and solid-state fluorescence properties of solvates and cocrystals of 1-acetyl-3-phenyl-5-(9-anthryl)-2-pyrazoline","CrystEngComm","2014","16","26","5820","","10.1039/c3ce42210k","","","0.71073","MoKα","","0.182","0.0741","","","0.133","0.1697","","","","","","1.006","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216508","10.258","0.002","12.272","0.003","16.034","0.003","90","","105.53","0.03","90","","1944.8","0.8","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-acetyl-3-phenyl-5-(9-anthryl)-2-pyrazoline monohydrate","","- C25 H22 N2 O2 -","- C25 H22 N2 O2 -","- C100 H88 N8 O8 -","4","1","","Feng, Qi; Wang, Mingliang; Xu, Chunxiang; Khan, Arshad; Wu, Xiaojuan; Lu, Jiao; Wei, Xiang","Investigation of molecular arrangements and solid-state fluorescence properties of solvates and cocrystals of 1-acetyl-3-phenyl-5-(9-anthryl)-2-pyrazoline","CrystEngComm","2014","16","26","5820","","10.1039/c3ce42210k","","","0.71073","MoKα","","0.1601","0.0685","","","0.1252","0.1519","","","","","","1.002","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216509","22.826","0.005","10.082","0.002","10.677","0.002","90","","90","","90","","2457.1","0.9","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","1-acetyl-3-phenyl-5-(9-anthryl)-2-pyrazoline.phenol cocrystal","","- C31 H26 N2 O2 -","- C31 H26 N2 O2 -","- C124 H104 N8 O8 -","4","1","","Feng, Qi; Wang, Mingliang; Xu, Chunxiang; Khan, Arshad; Wu, Xiaojuan; Lu, Jiao; Wei, Xiang","Investigation of molecular arrangements and solid-state fluorescence properties of solvates and cocrystals of 1-acetyl-3-phenyl-5-(9-anthryl)-2-pyrazoline","CrystEngComm","2014","16","26","5820","","10.1039/c3ce42210k","","","0.71073","MoKα","","0.1722","0.0731","","","0.1024","0.1278","","","","","","1","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216510","6.9931","0.0014","10.127","0.002","15.112","0.003","95.46","0.03","96.7","0.03","101.17","0.03","1035.1","0.4","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 F3 N5 O4 -","- C21 H18 F3 N5 O4 -","- C42 H36 F6 N10 O8 -","2","1","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Cocrystallization with flufenamic acid: comparison of physicochemical properties of two pharmaceutical cocrystals","CrystEngComm","2014","16","26","5793","","10.1039/c3ce42182a","","","0.71073","MoKα","","0.0705","0.0628","","","0.2017","0.232","","","","","","1.188","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216511","7.5628","0.0015","7.645","0.0015","14.552","0.003","90.45","0.03","92.14","0.03","95.81","0.03","836.4","0.3","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H15 F3 N2 O3 -","- C19 H15 F3 N2 O3 -","- C38 H30 F6 N4 O6 -","2","1","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Cocrystallization with flufenamic acid: comparison of physicochemical properties of two pharmaceutical cocrystals","CrystEngComm","2014","16","26","5793","","10.1039/c3ce42182a","","","0.71073","MoKα","","0.0979","0.0789","","","0.1889","0.2023","","","","","","1.184","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216512","9.827","0.002","10.361","0.002","25.005","0.005","84.67","0.03","81.34","0.03","71.46","0.03","2383.5","0.9","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H28 F6 N4 O4 -","- C38 H28 F6 N4 O4 -","- C114 H84 F18 N12 O12 -","3","1.5","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Cocrystallization with flufenamic acid: comparison of physicochemical properties of two pharmaceutical cocrystals","CrystEngComm","2014","16","26","5793","","10.1039/c3ce42182a","","","0.71073","MoKα","","0.2316","0.1985","","","0.473","0.4988","","","","","","1.572","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216513","9.9973","0.0013","22.788","0.003","10.4078","0.0014","90","","91.243","0.001","90","","2370.5","0.5","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(±)-4'-methylmethcathinone Hydrochloride, Mephedrone","","- C11 H16 Cl N O -","- C11 H16 Cl N O -","- C88 H128 Cl8 N8 O8 -","8","2","","Delori, Amit; Maclure, Pauline; Bhardwaj, Rajni M.; Johnston, Andrea; Florence, Alastair J.; Sutcliffe, Oliver B.; Oswald, Iain D. H.","Drug solid solutions ‒ a method for tuning phase transformations","CrystEngComm","2014","16","26","5827","","10.1039/c4ce00211c","","","0.71073","MoKα","","0.0649","0.0385","","0.0872","0.0732","0.0872","","","","","","1.0075","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216514","10.0093","0.0003","22.8207","0.0008","10.4016","0.0004","90","","91.416","0.002","90","","2375.2","0.14","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(±)-4'-methylmethcathinone Hydrochloride, Mephedrone","","- C11 H16 Cl N O -","- C11 H16 Cl N O -","- C88 H128 Cl8 N8 O8 -","8","2","","Delori, Amit; Maclure, Pauline; Bhardwaj, Rajni M.; Johnston, Andrea; Florence, Alastair J.; Sutcliffe, Oliver B.; Oswald, Iain D. H.","Drug solid solutions ‒ a method for tuning phase transformations","CrystEngComm","2014","16","26","5827","","10.1039/c4ce00211c","","","0.71073","MoKα","","0.0625","0.0376","","0.1","0.0806","0.1","","","","","","1.099","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216515","10.0604","0.0018","22.876","0.004","10.4041","0.0019","90","","91.741","0.002","90","","2393.3","0.7","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(±)-4'-methylmethcathinone Hydrochloride, Mephedrone","","- C11 H16 Cl N O -","- C11 H16 Cl N O -","- C88 H128 Cl8 N8 O8 -","8","2","","Delori, Amit; Maclure, Pauline; Bhardwaj, Rajni M.; Johnston, Andrea; Florence, Alastair J.; Sutcliffe, Oliver B.; Oswald, Iain D. H.","Drug solid solutions ‒ a method for tuning phase transformations","CrystEngComm","2014","16","26","5827","","10.1039/c4ce00211c","","","0.71073","MoKα","","0.084","0.0384","","0.0769","0.0717","0.0769","","","","","","0.7821","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216516","7.116","0.0012","22.916","0.004","7.3818","0.0013","90","","91.415","0.002","90","","1203.4","0.4","180","","180","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(±)-4'-methylmethcathinone Hydrochloride, Mephedrone","","- C11 H16 Cl N O -","- C11 H16 Cl N O -","- C44 H64 Cl4 N4 O4 -","4","1","","Delori, Amit; Maclure, Pauline; Bhardwaj, Rajni M.; Johnston, Andrea; Florence, Alastair J.; Sutcliffe, Oliver B.; Oswald, Iain D. H.","Drug solid solutions ‒ a method for tuning phase transformations","CrystEngComm","2014","16","26","5827","","10.1039/c4ce00211c","","","0.71073","MoKα","","0.0639","0.0386","","0.0989","0.0951","0.0989","","","","","","0.9037","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216517","7.1234","0.0014","22.966","0.004","7.3986","0.0014","90","","91.146","0.002","90","","1210.1","0.4","210","","210","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(±)-4'-methylmethcathinone Hydrochloride, Mephedrone","","- C11 H16 Cl N O -","- C11 H16 Cl N O -","- C44 H64 Cl4 N4 O4 -","4","1","","Delori, Amit; Maclure, Pauline; Bhardwaj, Rajni M.; Johnston, Andrea; Florence, Alastair J.; Sutcliffe, Oliver B.; Oswald, Iain D. H.","Drug solid solutions ‒ a method for tuning phase transformations","CrystEngComm","2014","16","26","5827","","10.1039/c4ce00211c","","","0.71073","MoKα","","0.0677","0.0407","","0.1072","0.0909","0.1072","","","","","","0.9846","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216518","7.1264","0.0014","22.986","0.005","7.4072","0.0014","90","","90.974","0.002","90","","1213.2","0.4","230","","230","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(±)-4'-methylmethcathinone hydrochloride, Mephedrone","","- C11 H16 Cl N O -","- C11 H16 Cl N O -","- C44 H64 Cl4 N4 O4 -","4","1","","Delori, Amit; Maclure, Pauline; Bhardwaj, Rajni M.; Johnston, Andrea; Florence, Alastair J.; Sutcliffe, Oliver B.; Oswald, Iain D. H.","Drug solid solutions ‒ a method for tuning phase transformations","CrystEngComm","2014","16","26","5827","","10.1039/c4ce00211c","","","0.71073","MoKα","","0.0714","0.0413","","0.115","0.0939","0.115","","","","","","0.9794","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216519","7.1314","0.0014","23.013","0.005","7.418","0.0015","90","","90.803","0.002","90","","1217.3","0.4","250","","250","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(±)-4'-methylmethcathinone Hydrochloride, Mephedrone","","- C11 H16 Cl N O -","- C11 H16 Cl N O -","- C44 H64 Cl4 N4 O4 -","4","1","","Delori, Amit; Maclure, Pauline; Bhardwaj, Rajni M.; Johnston, Andrea; Florence, Alastair J.; Sutcliffe, Oliver B.; Oswald, Iain D. H.","Drug solid solutions ‒ a method for tuning phase transformations","CrystEngComm","2014","16","26","5827","","10.1039/c4ce00211c","","","0.71073","MoKα","","0.0771","0.0381","","0.09","0.0857","0.09","","","","","","0.8468","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216520","7.1365","0.0014","23.041","0.005","7.4304","0.0015","90","","90.628","0.002","90","","1221.7","0.4","275","","275","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(±)-4'-methylmethcathinone Hydrochloride, Mephedrone","","- C11 H16 Cl N O -","- C11 H16 Cl N O -","- C44 H64 Cl4 N4 O4 -","4","1","","Delori, Amit; Maclure, Pauline; Bhardwaj, Rajni M.; Johnston, Andrea; Florence, Alastair J.; Sutcliffe, Oliver B.; Oswald, Iain D. H.","Drug solid solutions ‒ a method for tuning phase transformations","CrystEngComm","2014","16","26","5827","","10.1039/c4ce00211c","","","0.71073","MoKα","","0.0836","0.0391","","0.0892","0.0841","0.0892","","","","","","0.8112","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216521","7.1345","0.0007","23.048","0.003","7.433","0.0008","90","","90.449","0.006","90","","1222.2","0.2","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(±)-4'-methylmethcathinone Hydrochloride, Mephedrone","","- C11 H16 Cl N O -","- C11 H16 Cl N O -","- C44 H64 Cl4 N4 O4 -","4","1","","Delori, Amit; Maclure, Pauline; Bhardwaj, Rajni M.; Johnston, Andrea; Florence, Alastair J.; Sutcliffe, Oliver B.; Oswald, Iain D. H.","Drug solid solutions ‒ a method for tuning phase transformations","CrystEngComm","2014","16","26","5827","","10.1039/c4ce00211c","","","0.71073","MoKα","","0.081","0.0456","","0.1403","0.1109","0.1403","","","","","","1.0185","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216522","5.7804","0.0004","19.7971","0.0014","10.5967","0.0006","90","","100.841","0.003","90","","1190.99","0.14","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(±)-4'-methylmethcathinone Hydrobromide","","- C11 H16 Br N O -","- C11 H16 Br N O -","- C44 H64 Br4 N4 O4 -","4","1","","Delori, Amit; Maclure, Pauline; Bhardwaj, Rajni M.; Johnston, Andrea; Florence, Alastair J.; Sutcliffe, Oliver B.; Oswald, Iain D. H.","Drug solid solutions ‒ a method for tuning phase transformations","CrystEngComm","2014","16","26","5827","","10.1039/c4ce00211c","","","0.71073","MoKα","","0.0333","0.0264","","0.0706","0.0668","0.0706","","","","","","0.9801","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216523","10.8355","0.0019","10.203","0.0017","11.5425","0.0019","90","","111.839","0.008","90","","1184.5","0.4","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(±)-4'-methylmethcathinone Hydrobromide","","- C11 H16 Br N O -","- C11 H16 Br N O -","- C44 H64 Br4 N4 O4 -","4","1","","Delori, Amit; Maclure, Pauline; Bhardwaj, Rajni M.; Johnston, Andrea; Florence, Alastair J.; Sutcliffe, Oliver B.; Oswald, Iain D. H.","Drug solid solutions ‒ a method for tuning phase transformations","CrystEngComm","2014","16","26","5827","","10.1039/c4ce00211c","","","0.71073","MoKα","","0.0257","0.02","","0.0476","0.0446","0.0476","","","","","","0.998","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216524","10.2017","0.0006","22.3376","0.0013","10.5639","0.0006","90","","90.157","0.003","90","","2407.3","0.2","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","30:70 (±)-4'-methylmethcathinone hydrochloride hydrobromide salt solution","","- C11 H16 Br0.72 Cl0.28 N O -","- C11 H16 Br0.7185 Cl0.2815 N O -","- C88 H128 Br5.748 Cl2.252 N8 O8 -","8","2","","Delori, Amit; Maclure, Pauline; Bhardwaj, Rajni M.; Johnston, Andrea; Florence, Alastair J.; Sutcliffe, Oliver B.; Oswald, Iain D. H.","Drug solid solutions ‒ a method for tuning phase transformations","CrystEngComm","2014","16","26","5827","","10.1039/c4ce00211c","","","0.71073","MoKα","","0.0399","0.0286","","0.0701","0.0628","0.0701","","","","","","1.0075","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216525","10.1409","0.0011","22.488","0.003","10.4979","0.0011","90","","90.359","0.008","90","","2394","0.5","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","60:40 (±)-4'-methylmethcathinone hydrochloride hydrobromide salt solution","","- C11 H16 Br0.4 Cl0.6 N O -","- C11 H16 Br0.4035 Cl0.5965 N O -","- C88 H128 Br3.228 Cl4.772 N8 O8 -","8","2","","Delori, Amit; Maclure, Pauline; Bhardwaj, Rajni M.; Johnston, Andrea; Florence, Alastair J.; Sutcliffe, Oliver B.; Oswald, Iain D. H.","Drug solid solutions ‒ a method for tuning phase transformations","CrystEngComm","2014","16","26","5827","","10.1039/c4ce00211c","","","0.71073","MoKα","","0.1608","0.1186","","0.4127","0.3897","0.4127","","","","","","1.5578","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216526","10.1012","0.0005","22.5506","0.0012","10.4737","0.0005","90","","90.441","0.003","90","","2385.7","0.2","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","70:30 (±)-4'-methylmethcathinone hydrochloride hydrobromide salt solution","","- C11 H16 Br0.3 Cl0.7 N O -","- C11 H16 Br0.3025 Cl0.6975 N O -","- C88 H128 Br2.42 Cl5.58 N8 O8 -","8","2","","Delori, Amit; Maclure, Pauline; Bhardwaj, Rajni M.; Johnston, Andrea; Florence, Alastair J.; Sutcliffe, Oliver B.; Oswald, Iain D. H.","Drug solid solutions ‒ a method for tuning phase transformations","CrystEngComm","2014","16","26","5827","","10.1039/c4ce00211c","","","0.71073","MoKα","","0.0374","0.0321","","0.0753","0.0698","0.0753","","","","","","1.0369","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216527","27.4599","0.0012","5.6654","0.0002","11.4275","0.0005","90","","92.25","0.002","90","","1776.42","0.13","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 F N2 O3 -","- C21 H20 F N2 O3 -","- C84 H80 F4 N8 O12 -","4","1","","Blagden, N.; Coles, S. J.; Berry, D. J.","Pharmaceutical co-crystals ‒ are we there yet?","CrystEngComm","2014","16","26","5753","","10.1039/c4ce00127c","","","0.71073","MoKα","","0.1033","0.0543","","","0.1219","0.1448","","","","","","1.04","","","","has coordinates,has disorder","180496","2020-10-21","18:00:00",""
"7216528","7.624","0.006","5.8","0.004","36.02","0.03","90","","90.017","0.008","90","","1593","2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N O3 -","- C19 H18 N O3 -","- C76 H72 N4 O12 -","4","1","","Manoj, K.; Tamura, Rui; Takahashi, Hiroki; Tsue, Hirohito","Crystal engineering of homochiral molecular organization of naproxen in cocrystals and their thermal phase transformation studies","CrystEngComm","2014","16","26","5811","","10.1039/c3ce42415d","","","0.71075","MoKα","","0.127","0.0965","","","0.1846","0.198","","","","","","1.189","","","","has coordinates,has disorder","180496","2020-10-21","18:00:00",""
"7216529","7.966","0.004","6.012","0.003","28.985","0.015","90","","91.739","0.007","90","","1387.5","1.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","RS-Naproxen-Piperidine","","","- C16 H18 N O3 -","- C16 H18 N O3 -","- C64 H72 N4 O12 -","4","1","","Manoj, K.; Tamura, Rui; Takahashi, Hiroki; Tsue, Hirohito","Crystal engineering of homochiral molecular organization of naproxen in cocrystals and their thermal phase transformation studies","CrystEngComm","2014","16","26","5811","","10.1039/c3ce42415d","","","0.71075","MoKα","","0.1671","0.0928","","","0.1627","0.1936","","","","","","1.101","","","","has coordinates,has disorder","180496","2020-10-21","18:00:00",""
"7216530","15.206","0.006","5.766","0.002","19.37","0.008","90","","111.189","0.005","90","","1583.5","1.1","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38 H36 N2 O6 -","- C38 H36 N2 O6 -","- C76 H72 N4 O12 -","2","1","","Manoj, K.; Tamura, Rui; Takahashi, Hiroki; Tsue, Hirohito","Crystal engineering of homochiral molecular organization of naproxen in cocrystals and their thermal phase transformation studies","CrystEngComm","2014","16","26","5811","","10.1039/c3ce42415d","","","0.71075","MoKα","","0.1402","0.0753","","","0.1128","0.1353","","","","","","1.008","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216531","8.029","0.004","6.118","0.003","28.045","0.014","90","","93.99","0.007","90","","1374.3","1.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","S-Naproxen-Piperidine","","","- C32 H36 N2 O6 -","- C32 H36 N2 O6 -","- C64 H72 N4 O12 -","2","1","","Manoj, K.; Tamura, Rui; Takahashi, Hiroki; Tsue, Hirohito","Crystal engineering of homochiral molecular organization of naproxen in cocrystals and their thermal phase transformation studies","CrystEngComm","2014","16","26","5811","","10.1039/c3ce42415d","","","0.71075","MoKα","","0.1382","0.0799","","","0.136","0.167","","","","","","1.021","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216532","6.0536","0.0007","10.5285","0.0016","24.444","0.003","90","","90","","90","","1557.9","0.4","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H10 I N3 O6 -","- C13 H10 I N3 O6 -","- C52 H40 I4 N12 O24 -","4","1","","Jones, Charlotte L.; Wilson, Chick C.; Thomas, Lynne H.","Turning colour on and off using molecular disorder and proton transfer in multi-component molecular complexes","CrystEngComm","2014","16","26","5849","","10.1039/c4ce00229f","","","0.71075","MoKα","","0.0249","0.0211","","","0.0449","0.0505","","","","","","1.154","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216533","9.947","0.007","12.823","0.009","13.02","0.01","94.249","0.016","91.739","0.016","90.493","0.019","1655","2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H24 I2 N6 O13 -","- C27 H17 I2 N6 O13 -","- C54 H34 I4 N12 O26 -","2","1","","Jones, Charlotte L.; Wilson, Chick C.; Thomas, Lynne H.","Turning colour on and off using molecular disorder and proton transfer in multi-component molecular complexes","CrystEngComm","2014","16","26","5849","","10.1039/c4ce00229f","","","0.71075","MoKα","","0.1317","0.0791","","","0.1856","0.2125","","","","","","1.075","","","","has coordinates,has disorder","180496","2020-10-21","18:00:00",""
"7216534","7.3806","0.0015","9.3433","0.0018","11.754","0.002","80.602","0.005","71.795","0.005","79.46","0.005","752.1","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H10 I N3 O7 -","- C13 H10 I N3 O7 -","- C26 H20 I2 N6 O14 -","2","1","","Jones, Charlotte L.; Wilson, Chick C.; Thomas, Lynne H.","Turning colour on and off using molecular disorder and proton transfer in multi-component molecular complexes","CrystEngComm","2014","16","26","5849","","10.1039/c4ce00229f","","","0.71075","MoKα","","0.0211","0.0191","","","0.0462","0.0474","","","","","","1.087","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216535","9.0879","0.0011","9.9637","0.0012","10.5749","0.0012","94.099","0.004","103.81","0.004","92.568","0.004","925.6","0.19","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H26 I3 N7 O14 -","- C32 H26 I3 N7 O14 -","- C32 H26 I3 N7 O14 -","1","0.5","","Jones, Charlotte L.; Wilson, Chick C.; Thomas, Lynne H.","Turning colour on and off using molecular disorder and proton transfer in multi-component molecular complexes","CrystEngComm","2014","16","26","5849","","10.1039/c4ce00229f","","","0.71075","MoKα","","0.0657","0.0392","","","0.0788","0.111","","","","","","1.193","","","","has coordinates,has disorder","180496","2020-10-21","18:00:00",""
"7216536","10.756","0.009","5.79","0.004","13.363","0.009","90","","107.859","0.008","90","","792.1","1","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H12 I N3 O6 -","- C14 H12 I N3 O6 -","- C28 H24 I2 N6 O12 -","2","1","","Jones, Charlotte L.; Wilson, Chick C.; Thomas, Lynne H.","Turning colour on and off using molecular disorder and proton transfer in multi-component molecular complexes","CrystEngComm","2014","16","26","5849","","10.1039/c4ce00229f","","","0.71073","MoKα","","0.0133","0.0131","","","0.0332","0.0332","","","","","","1.088","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216537","8.534","0.002","8.769","0.002","11.882","0.008","111.035","0.008","101.327","0.007","95.273","0.007","800.9","0.6","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 I N3 O6 -","- C14 H12 I N3 O6 -","- C28 H24 I2 N6 O12 -","2","1","","Jones, Charlotte L.; Wilson, Chick C.; Thomas, Lynne H.","Turning colour on and off using molecular disorder and proton transfer in multi-component molecular complexes","CrystEngComm","2014","16","26","5849","","10.1039/c4ce00229f","","","0.71073","MoKα","","0.019","0.018","","","0.0471","0.0475","","","","","","1.132","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216538","14.0063","0.0003","16.8616","0.0004","7.8007","0.0005","90","","105.402","0.001","90","","1776.12","0.13","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","MMP","3-6(-Methoxypyridin-3-yl)-5-(4-methylsulfonylphenyl)- pyridine-2-amine","","- C18 H17 N3 O3 S -","- C18 H17 N3 O3 S -","- C72 H68 N12 O12 S4 -","4","1","","Cruickshank, Dyanne L.; Younis, Yassir; Njuguna, Nicholas M.; Ongarora, Dennis S. B.; Chibale, Kelly; Caira, Mino R.","Alternative solid-state forms of a potent antimalarial aminopyridine: X-ray crystallographic, thermal and solubility aspects","CrystEngComm","2014","16","26","5781","","10.1039/c3ce41798k","","","0.71073","MoKα","","0.0585","0.0388","","","0.0913","0.1012","","","","","","1.012","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216539","10.4542","0.0007","10.7365","0.0007","19.2796","0.0012","92.407","0.001","96.173","0.002","105.247","0.001","2070.1","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","3-6(-Methoxypyridin-3-yl)-5-(4-methylsulfonylphenyl)- pyridine-2-amine. hexanedioic acid","","- C42 H44 N6 O10 S2 -","- C42 H44 N6 O10 S2 -","- C84 H88 N12 O20 S4 -","2","1","","Cruickshank, Dyanne L.; Younis, Yassir; Njuguna, Nicholas M.; Ongarora, Dennis S. B.; Chibale, Kelly; Caira, Mino R.","Alternative solid-state forms of a potent antimalarial aminopyridine: X-ray crystallographic, thermal and solubility aspects","CrystEngComm","2014","16","26","5781","","10.1039/c3ce41798k","","","0.71073","MoKα","","0.0918","0.05","","","0.1131","0.1332","","","","","","0.98","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216540","5.411","0.002","11.572","0.005","18.486","0.008","87.456","0.008","89.447","0.007","84.076","0.008","1150.2","0.8","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","3-6(-Methoxypyridin-3-yl)-5-(4-methylsulfonylphenyl)- pyridine-2-amine.(E)-butenedioate methanolate","","- C23 H25 N3 O8 S -","- C23 H25 N3 O8 S -","- C46 H50 N6 O16 S2 -","2","1","","Cruickshank, Dyanne L.; Younis, Yassir; Njuguna, Nicholas M.; Ongarora, Dennis S. B.; Chibale, Kelly; Caira, Mino R.","Alternative solid-state forms of a potent antimalarial aminopyridine: X-ray crystallographic, thermal and solubility aspects","CrystEngComm","2014","16","26","5781","","10.1039/c3ce41798k","","","0.71073","MoKα","","0.1245","0.1079","","","0.259","0.2707","","","","","","1.029","","","","has coordinates,has disorder","180496","2020-10-21","18:00:00",""
"7216541","18.581","0.002","5.1754","0.0007","23.326","0.003","90","","106.774","0.002","90","","2147.7","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","007 oxalic acid hydrate salt","3-6(-Methoxypyridin-3-yl)-5-(4-methylsulfonylphenyl)- pyridine-2-amine.ethanedioate tetrahydrate","","- C19 H26 N3 O9 S -","- C19 H26 N3 O9 S -","- C76 H104 N12 O36 S4 -","4","1","","Cruickshank, Dyanne L.; Younis, Yassir; Njuguna, Nicholas M.; Ongarora, Dennis S. B.; Chibale, Kelly; Caira, Mino R.","Alternative solid-state forms of a potent antimalarial aminopyridine: X-ray crystallographic, thermal and solubility aspects","CrystEngComm","2014","16","26","5781","","10.1039/c3ce41798k","","","0.71073","MoKα","","0.0653","0.0434","","","0.1078","0.1187","","","","","","1.055","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216542","13.4221","0.0006","16.746","0.0008","25.6251","0.0012","90","","99.444","0.001","90","","5681.6","0.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3-6(-Methoxypyridin-3-yl)-5-(4-methylsulfonylphenyl)- pyridine-2-amine. 2H-1lamda6,2-benzothiazol-1,1,3-trione salt hydrate","","- C25 H26.97 N4 O8.48 S2 -","- C25 H22 N4 O8.48 S2 -","- C200 H176 N32 O67.84 S16 -","8","1","","Cruickshank, Dyanne L.; Younis, Yassir; Njuguna, Nicholas M.; Ongarora, Dennis S. B.; Chibale, Kelly; Caira, Mino R.","Alternative solid-state forms of a potent antimalarial aminopyridine: X-ray crystallographic, thermal and solubility aspects","CrystEngComm","2014","16","26","5781","","10.1039/c3ce41798k","","","0.71073","MoKα","","0.0625","0.0514","","","0.1365","0.144","","","","","","1.062","","","","has coordinates,has disorder","180496","2020-10-21","18:00:00",""
"7216543","13.232","0.0008","11.6031","0.0007","16.5449","0.001","90","","110.977","0.001","90","","2371.8","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-6(-Methoxypyridin-3-yl)-5-(4-methylsulfonylphenyl)- pyridine-2-amine. 2-hydroxybenzoate salt hydrate","","- C25 H25 N3 O7 S -","- C25 H23 N3 O7 S -","- C100 H92 N12 O28 S4 -","4","1","","Cruickshank, Dyanne L.; Younis, Yassir; Njuguna, Nicholas M.; Ongarora, Dennis S. B.; Chibale, Kelly; Caira, Mino R.","Alternative solid-state forms of a potent antimalarial aminopyridine: X-ray crystallographic, thermal and solubility aspects","CrystEngComm","2014","16","26","5781","","10.1039/c3ce41798k","","","0.71073","MoKα","","0.062","0.0488","","","0.1333","0.1464","","","","","","1.036","","","","has coordinates,has disorder","180496","2020-10-21","18:00:00",""
"7216544","5.4192","0.0007","12.1987","0.0015","19.705","0.003","75.627","0.002","88.814","0.002","89.651","0.002","1261.6","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","3-6(-Methoxypyridin-3-yl)-5-(4-methylsulfonylphenyl)- pyridine-2-amine. octanedioate salt","","- C26 H31 N3 O7 S -","- C26 H31 N3 O7 S -","- C52 H62 N6 O14 S2 -","2","1","","Cruickshank, Dyanne L.; Younis, Yassir; Njuguna, Nicholas M.; Ongarora, Dennis S. B.; Chibale, Kelly; Caira, Mino R.","Alternative solid-state forms of a potent antimalarial aminopyridine: X-ray crystallographic, thermal and solubility aspects","CrystEngComm","2014","16","26","5781","","10.1039/c3ce41798k","","","0.71073","MoKα","","0.0696","0.0409","","","0.0887","0.0962","","","","","","0.905","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216545","9.5289","0.0003","9.1191","0.0003","8.667","0.0002","90","","90","","90","","753.12","0.04","110","2","110","2","","","","","","","","4","P m n 21","P 2ac -2","31","melamine barbital addition compound","","","- C11 H18 N8 O3 -","- C11 H18 N8 O3 -","- C22 H36 N16 O6 -","2","0.5","","Gryl, M.; Seidler, T.; Stadnicka, K.; Matulková, I.; Němec, I.; Tesařová, N.; Němec, P.","The crystal structure and optical properties of a pharmaceutical co-crystal ‒ the case of the melamine‒barbital addition compound","CrystEngComm","2014","16","26","5765","","10.1039/c4ce00178h","","","0.71073","MoKα","","0.0887","0.0453","","","0.09","0.0986","","","","","","0.892","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216546","26.292","0.002","5.2948","0.0004","34.158","0.003","90","","90.598","0.004","90","","4754.9","0.7","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","alpha lipoicacid nicotinamide co-crystal","","","- C14 H20 N2 O3 S2 -","- C14 H20 N2 O3 S2 -","- C168 H240 N24 O36 S24 -","12","3","","Zhao, Lihua; Raval, Vishal; Briggs, Naomi E. B.; Bhardwaj, Rajni M.; McGlone, Thomas; Oswald, Iain D. H.; Florence, Alastair J.","From discovery to scale-up: α-lipoic acid : nicotinamide co-crystals in a continuous oscillatory baffled crystalliser","CrystEngComm","2014","16","26","5769","","10.1039/c4ce00154k","","","0.71073","MoKα","","0.1089","0.0733","","","0.1832","0.2147","","","","","","1.046","","","","has coordinates,has disorder","180496","2020-10-21","18:00:00",""
"7216547","7.482","0.0001","22.751","0.0003","36.294","0.0005","90","","90","","90","","6178.07","0.14","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H31 Cl O3 -","- C22 H31 Cl O3 -","- C264 H372 Cl12 O36 -","12","3","","Ruiz, Alberto; Pérez, Hiram; Morera-Boado, Cercis; Almagro, Luis; da Silva, Cecilia C. P.; Ellena, Javier; García de la Vega, José M.; Martínez-Álvarez, Roberto; Suárez, Margarita; Martín, Nazario","Unusual hydrogen bond patterns contributing to supramolecular assembly: conformational study, Hirshfeld surface analysis and density functional calculations of a new steroid derivative","CrystEngComm","2014","16","33","7802","","10.1039/C4CE00709C","","","0.71073","MoKα","","0.0669","0.0484","","","","0.12","","","","","","1.027","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216548","7.1671","0.0016","14.704","0.003","11.157","0.003","90","","96.747","0.003","90","","1167.6","0.5","125","2","125","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","AsC5H12NO8U","","- C5 H11 As N O8 U -","- C5 H11 As N O8 U -","- C20 H44 As4 N4 O32 U4 -","4","1","","Smith, P. A.; Burns, P. C.","Ionothermal effects on low-dimensionality uranyl compounds using task specific ionic liquids","CrystEngComm","2014","16","31","7244","","10.1039/C4CE00512K","","","0.71073","MoKα","","0.0194","0.0166","","","0.037","0.0381","","","","","","1.08","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7216549","12.3917","0.0015","36.745","0.004","10.2457","0.0012","90","","112.19","0.0013","90","","4319.7","0.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","C38H40N2O15S4U","","- C38 H40 N2 O15 S4 U -","- C38 H40 N2 O15 S4 U -","- C152 H160 N8 O60 S16 U4 -","4","1","","Smith, P. A.; Burns, P. C.","Ionothermal effects on low-dimensionality uranyl compounds using task specific ionic liquids","CrystEngComm","2014","16","31","7244","","10.1039/C4CE00512K","","","0.71073","MoKα","","0.0496","0.0328","","","0.0677","0.0734","","","","","","1.023","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7216550","28.2107","0.0014","23.9375","0.0012","26.1899","0.0013","90","","90","","90","","17685.9","1.5","293","2","293","2","","","","","","","","7","P n n m","-P 2 2n","58","","","","- Cu17 H290 Mo46 N19 Na O317 V18 -","- Cu17 Mo46 Na O310 V18 -","- Cu34 Mo92 Na2 O620 V36 -","2","0.25","","Gao, Qiao; Li, Fengyan; Sun, Minghui; Xu, Lin; Wang, Yuchao; Bai, Jie","Multidimensional all-inorganic frameworks based on new molybdovanadate cluster of [VMo7O28]9−with Cu(ii) linker showing semiconducting behavior","CrystEngComm","2014","16","33","7681","","10.1039/C4CE00831F","","","0.71073","MoKα","","0.1028","0.0657","","","0.1454","0.1569","","","","","","1.061","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7216551","14.7333","0.0003","17.2359","0.0006","18.2871","0.0004","96.789","0.002","98.188","0.002","93.537","0.002","4549.7","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- Cu8 H152 Mo30 N20 O169 V10 -","- Cu8 Mo30 N18 O160 V10 -","- Cu8 Mo30 N18 O160 V10 -","1","0.5","","Gao, Qiao; Li, Fengyan; Sun, Minghui; Xu, Lin; Wang, Yuchao; Bai, Jie","Multidimensional all-inorganic frameworks based on new molybdovanadate cluster of [VMo7O28]9−with Cu(ii) linker showing semiconducting behavior","CrystEngComm","2014","16","33","7681","","10.1039/C4CE00831F","","","0.71073","MoKα","","0.0636","0.0453","","","0.1245","0.135","","","","","","1.053","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216552","53.884","0.005","13.9563","0.0011","26.848","0.002","90","","104.181","0.002","90","","19575","3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- Cu11 H144 Mo30 N10 Na O181 V9 -","- Cu11 Mo30 N7 Na O177 V9 -","- Cu44 Mo120 N28 Na4 O708 V36 -","4","0.5","","Gao, Qiao; Li, Fengyan; Sun, Minghui; Xu, Lin; Wang, Yuchao; Bai, Jie","Multidimensional all-inorganic frameworks based on new molybdovanadate cluster of [VMo7O28]9−with Cu(ii) linker showing semiconducting behavior","CrystEngComm","2014","16","33","7681","","10.1039/C4CE00831F","","","0.71073","MoKα","","0.1068","0.0663","","","0.1907","0.215","","","","","","1.004","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7216553","6.557","0.0003","6.9924","0.0004","19.2094","0.001","90","","90.285","0.004","90","","880.72","0.08","293.21","0.1","293.21","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- B6 Cd2 O12 Pb -","- B6 Cd2 O12 Pb -","- B24 Cd8 O48 Pb4 -","4","1","","Hao, Yu-Cheng; Xu, Xiang; Kong, Fang; Song, Jun-Ling; Mao, Jiang-Gao","PbCd2B6O12and EuZnB5O10: syntheses, crystal structures and characterizations of two new mixed metal borates","CrystEngComm","2014","16","33","7689","","10.1039/C4CE00777H","","","0.71073","MoKα","","0.0301","0.0258","","","0.0483","0.0504","","","","","","1.006","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216554","8.6173","0.0005","7.5994","0.0004","9.4036","0.0005","90","","93.358","0.005","90","","614.75","0.06","293","2","293","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- B5 Eu O10 Zn -","- B5 Eu O10 Zn -","- B20 Eu4 O40 Zn4 -","4","1","","Hao, Yu-Cheng; Xu, Xiang; Kong, Fang; Song, Jun-Ling; Mao, Jiang-Gao","PbCd2B6O12and EuZnB5O10: syntheses, crystal structures and characterizations of two new mixed metal borates","CrystEngComm","2014","16","33","7689","","10.1039/C4CE00777H","","","0.71073","MoKα","","0.0268","0.0221","","","0.0487","0.0511","","","","","","1.072","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216555","12.947","0.005","15.169","0.005","15.922","0.005","67.605","0.005","82.355","0.005","65.089","0.005","2620.7","1.6","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H132 Ag20 N2 O23 S10 -","- C63 H132 Ag20 N2 O23 S10 -","- C63 H132 Ag20 N2 O23 S10 -","1","0.5","","Zhou, Kun; Qin, Chao; Wang, Xin-Long; Shao, Kui-Zhan; Yan, Li-Kai; Su, Zhong-Min","Unexpected 1D self-assembly of carbonate-templated sandwich-like macrocycle-based Ag20S10luminescent nanoclusters","CrystEngComm","2014","16","34","7860","","10.1039/C4CE00867G","","","0.71069","MoKα","","0.1109","0.0614","","","0.1519","0.1765","","","","","","0.988","","","","has coordinates,has disorder","180496","2020-10-21","18:00:00",""
"7216556","9.9795","0.0008","10.1903","0.0008","11.6966","0.0009","91.086","0.005","101.528","0.005","118.691","0.004","1013.21","0.15","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- B2 K7 O19 P5 -","- B2 K6.995 O19 P5 -","- B4 K13.99 O38 P10 -","2","1","","Wang, Ying; Pan, Shilie; Han, Shujuan; Zhang, Bingbing; Dong, Lingyun; Zhang, Min; Yang, Zhihua","K7B2P5O19: a novel alkali metal borophosphate with zero dimensional [B2P5O19]7−anionic units","CrystEngComm","2014","16","30","6848","","10.1039/C4CE00917G","","","0.71073","MoKα","","0.0583","0.0401","","","0.0939","0.1016","","","","","","1.111","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216557","6.9524","0.0008","13.6858","0.0009","16.334","0.002","90","","100.148","0.005","90","","1529.9","0.3","294","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H27 O3 -","- C17 H27 O3 -","- C68 H108 O12 -","4","1","","Yue, Weimin; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Co-crystalline hydrogen bonded solids formed by helical tubuland diols","CrystEngComm","2002","4","98","591","","10.1039/b210594b","","","1.54184","CuKα","","","0.055","","","","0.1","","","","","","1.92","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216558","10.87","0.004","16.939","0.003","10.934","0.004","90","","93.99","0.02","90","","2008.4","1.1","294","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C21 H32 O4 -","- C21 H34 O4 -","- C84 H136 O16 -","4","0.5","","Yue, Weimin; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Co-crystalline hydrogen bonded solids formed by helical tubuland diols","CrystEngComm","2002","4","98","591","","10.1039/b210594b","","","1.54184","CuKα","","","0.047","","","","0.065","","","","","","1.86","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216559","7.1","0.001","13.567","0.001","16.783","0.003","90","","106.83","0.007","90","","1547.4","0.4","294","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H30 O3 -","- C16 H30 O3 -","- C64 H120 O12 -","4","1","","Yue, Weimin; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Co-crystalline hydrogen bonded solids formed by helical tubuland diols","CrystEngComm","2002","4","98","591","","10.1039/b210594b","","","1.54184","CuKα","","","0.055","","","","0.101","","","","","","1.67","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216560","12.866","0.004","13.845","0.004","12.361","0.004","90","","114.8","0.01","90","","1998.8","1.1","294","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H12 Br2 Cl2 N2 -","- C22 H12 Br2 Cl2 N2 -","- C88 H48 Br8 Cl8 N8 -","4","1","","Alshahateet, Solhe F.; Rahman, A. Noman M. M.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Interlocking molecular grid lattices involving weak assembly forces","CrystEngComm","2002","4","97","585","","10.1039/b209897k","","","0.71073","MoKα","","","0.039","","","","0.047","","","","","","1.47","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216561","13.308","0.008","10.505","0.007","11.296","0.007","90","","100.54","0.02","90","","1552.5","1.7","294","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 N2 -","- C22 H16 N2 -","- C88 H64 N8 -","4","1","","Alshahateet, Solhe F.; Rahman, A. Noman M. M.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Interlocking molecular grid lattices involving weak assembly forces","CrystEngComm","2002","4","97","585","","10.1039/b209897k","","","0.71073","MoKα","","","0.049","","","","0.059","","","","","","1.7","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216562","8.1111","0.0005","14.1487","0.0009","11.7504","0.0008","90","","106.91","0.001","90","","1290.19","0.14","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Complex between 1,2-bis(3-pyridyl)butadiyne and bis(hexafluoroacetylacetonate)Zn","","","- C24 H10 F12 N2 O4 Zn -","- C24 H10 F12 N2 O4 Zn -","- C48 H20 F24 N4 O8 Zn2 -","2","0.5","","Zaman, Md. Badruz; Udachin, Konstantin A.; Ripmeester, John A.","One-dimensional coordination polymers generated from 1,2-bis(x-pyridyl)butadiyne (x�= 3 and 4) and bis(hexafluoroacetylacetonato)M(ii) (M = Cu, Mn, Zn)","CrystEngComm","2002","4","103","613","","10.1039/b209938a","","","0.7107","MoKα","","0.0484","0.0319","","","0.0768","0.0831","","","","","","1.005","","","","has coordinates,has disorder","180496","2020-10-21","18:00:00",""
"7216563","8.1706","0.0005","14.3761","0.0008","11.5533","0.0007","90","","105.813","0.001","90","","1305.71","0.13","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Complex between 1,2-bis(3-pyridyl)butadiyne and bis(hexafluoroacetylacetonate)Mn","","","- C24 H10 F12 Mn N2 O4 -","- C24 H10 F12 Mn N2 O4 -","- C48 H20 F24 Mn2 N4 O8 -","2","0.5","","Zaman, Md. Badruz; Udachin, Konstantin A.; Ripmeester, John A.","One-dimensional coordination polymers generated from 1,2-bis(x-pyridyl)butadiyne (x�= 3 and 4) and bis(hexafluoroacetylacetonato)M(ii) (M = Cu, Mn, Zn)","CrystEngComm","2002","4","103","613","","10.1039/b209938a","","","0.7107","MoKα","","0.0456","0.0338","","","0.0884","0.0945","","","","","","1.003","","","","has coordinates,has disorder","180496","2020-10-21","18:00:00",""
"7216564","8.0304","0.0004","13.8823","0.0007","12.0812","0.0006","90","","106.194","0.001","90","","1293.38","0.11","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Complex between 1,2-bis(3-pyridyl)butadiyne and bis(hexafluoroacetylacetonate)Cu","","","- C24 H10 Cu F12 N2 O4 -","- C24 H10 Cu F12 N2 O4 -","- C48 H20 Cu2 F24 N4 O8 -","2","0.5","","Zaman, Md. Badruz; Udachin, Konstantin A.; Ripmeester, John A.","One-dimensional coordination polymers generated from 1,2-bis(x-pyridyl)butadiyne (x�= 3 and 4) and bis(hexafluoroacetylacetonato)M(ii) (M = Cu, Mn, Zn)","CrystEngComm","2002","4","103","613","","10.1039/b209938a","","","0.7107","MoKα","","0.0424","0.0358","","","0.1014","0.106","","","","","","1.041","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216565","6.6626","0.0009","9.3393","0.0012","10.5602","0.0013","98.648","0.002","101.102","0.003","92.668","0.002","635.54","0.14","173","2","173","2","","","","","","","","6","P -1","-P 1","2","Complex between 1,2-bis(4-pyridyl)butadiyne and bis(hexafluoroacetylacetonate)Mn","","","- C12 H5 F6 Mn N O2 -","- C12 H5 F6 Mn0.5 N O2 -","- C24 H10 F12 Mn N2 O4 -","2","1","","Zaman, Md. Badruz; Udachin, Konstantin A.; Ripmeester, John A.","One-dimensional coordination polymers generated from 1,2-bis(x-pyridyl)butadiyne (x�= 3 and 4) and bis(hexafluoroacetylacetonato)M(ii) (M = Cu, Mn, Zn)","CrystEngComm","2002","4","103","613","","10.1039/b209938a","","","0.7107","MoKα","","0.1571","0.0641","","","0.1221","0.1489","","","","","","0.929","","","","has coordinates,has disorder","180496","2020-10-21","18:00:00",""
"7216566","13.164","0.003","13.998","0.004","20.75","0.006","79.08","0.02","79.91","0.02","80.14","0.02","3658.4","1.7","294","","","","","","","","","","","4","P -1","-P 1","2","","","","- C80 H52 Br12 N6 -","- C80 H46 Br12 N6 -","- C160 H92 Br24 N12 -","2","1","","Bishop, Roger; Rahman, A. Noman M. M.; Ashmore, Jason; Craig, Donald C.; Scudder, Marcia L.","Preparation of solvent-free clathrand structures by the exclusion of an unwelcome guest","CrystEngComm","2002","4","101","605","","10.1039/b210215c","","","0.71073","MoKα","","","0.052","","","","0.057","","","","","","1.64","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216567","27.579","0.007","32.87","0.008","4.447","0.001","90","","90","","90","","4031.3","1.7","294","","","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C22 H12 Br4 N2 -","- C22 H12 Br4 N2 -","- C176 H96 Br32 N16 -","8","0.5","","Bishop, Roger; Rahman, A. Noman M. M.; Ashmore, Jason; Craig, Donald C.; Scudder, Marcia L.","Preparation of solvent-free clathrand structures by the exclusion of an unwelcome guest","CrystEngComm","2002","4","101","605","","10.1039/b210215c","","","0.71073","MoKα","","","0.039","","","","0.048","","","","","","1.69","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216568","6.571","0.002","21.718","0.006","12.65","0.004","90","","90","","90","","1805.3","0.9","150","2","150","2","","","","","","","","6","C m c m","-C 2c 2","63","[CuL2m]4[CuCl4]Cl6.5H2O","","","- C32 H82 Cl10 Cu5 N32 O13 -","- C32 H56 Cl10 Cu5 N32 O13 -","- C32 H56 Cl10 Cu5 N32 O13 -","1","0.0625","","Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Wilson, Claire","Hydrogen-bonded supramolecular synthons in complexes of copper(ii) halides with polymethylene-linked bis(amidino-O-alkylurea) ligands","CrystEngComm","2002","4","92","552","","10.1039/b208617d","","","0.71073","MoKα","","0.0686","0.0548","","0.164","","0.155","","","1.085","","","1.163","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216569","6.624","0.001","12.677","0.002","13.059","0.002","94.082","0.002","99.368","0.003","91.58","0.003","1078.4","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","[CuL2e]Cl2.3H2O.MeOH","","","- C11 H32 Cl2 Cu N8 O6 -","- C11 H32 Cl2 Cu N8 O6 -","- C22 H64 Cl4 Cu2 N16 O12 -","2","1","","Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Wilson, Claire","Hydrogen-bonded supramolecular synthons in complexes of copper(ii) halides with polymethylene-linked bis(amidino-O-alkylurea) ligands","CrystEngComm","2002","4","92","552","","10.1039/b208617d","","","0.71073","MoKα","","0.0629","0.0395","","0.0945","","0.0878","","","0.945","","","1.045","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216570","12.656","0.002","13.541","0.002","21.543","0.003","90","","90.071","0.002","90","","3691.9","0.9","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[CuL3m](Cl)2(MeOH)0.5(H2O)","","","- C10 H25 Cl2 Cu N8 O3.5 -","- C10 H20 Cl2 Cu N8 O3.5 -","- C80 H160 Cl16 Cu8 N64 O28 -","8","2","","Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Wilson, Claire","Hydrogen-bonded supramolecular synthons in complexes of copper(ii) halides with polymethylene-linked bis(amidino-O-alkylurea) ligands","CrystEngComm","2002","4","92","552","","10.1039/b208617d","","","0.71073","MoKα","","0.0751","0.0542","","0.1566","","0.1461","","","1.054","","","1.125","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7216571","21.904","0.006","12.9712","0.0004","6.7694","0.0002","90","","90","","90","","1923.3","0.5","120","2","120","2","","","","","","","","6","P n n a","-P 2a 2bc","52","1,3-Bis(amidino-O-methylurea)propanecopper(II) bromide methanol solvate hydrate (1:1:0.3)","1,3-Bis(amidino-O-methylurea)propanecopper(II) bromide methanol solvate hydrate (1:1:0.3)","","- C10 H24.6 Br2 Cu N8 O3.3 -","- C10 H20 Br2 Cu N8 O3.3 -","- C40 H80 Br8 Cu4 N32 O13.2 -","4","0.5","","Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Wilson, Claire","Hydrogen-bonded supramolecular synthons in complexes of copper(ii) halides with polymethylene-linked bis(amidino-O-alkylurea) ligands","CrystEngComm","2002","4","92","552","","10.1039/b208617d","","","0.71073","MoKα","","0.0811","0.0503","","","0.1291","0.1435","","","","","","1.058","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216572","8.506","0.003","10.264","0.002","10.715","0.002","111.71","0.02","93.51","0.02","103.06","0.02","835.7","0.4","220","1","220","1","","","","","","","","6","P -1","-P 1","2","[CuL2m]Cl2.2H2O","","","- C8 H22 Cl2 Cu N8 O4 -","- C8 H22 Cl2 Cu N8 O4 -","- C16 H44 Cl4 Cu2 N16 O8 -","2","1","","Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Wilson, Claire","Hydrogen-bonded supramolecular synthons in complexes of copper(ii) halides with polymethylene-linked bis(amidino-O-alkylurea) ligands","CrystEngComm","2002","4","92","552","","10.1039/b208617d","","","0.71073","MoKα","","0.0777","0.0521","","0.1114","","0.0936","","","1.189","","","1.181","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216573","19.013","0.002","19.013","0.002","14.026","0.004","90","","90","","90","","5070.3","1.6","223","","223","","","","","","","","see paper","6","I -4 2 d","I -4 2bw","122","Compound 5","tris(rac-trans-1,2-diaminocyclohexane)chromium(III) trichloride dihydrate","","- C18 H46 Cl3 Cr N6 O2 -","- C18 H46 Cl3 Cr N6 O2 -","- C144 H368 Cl24 Cr8 N48 O16 -","8","0.5","","Kalf, Irmgard; Calmuschi, Beatrice; Englert, Ulli","Chiral Cr(iii) and Co(iii) complex cations as building blocks for ordered and disordered salts","CrystEngComm","2002","4","91","548","","10.1039/b207786h","","","0.71073","Mo-Kα","","0.0357","0.0333","","","0.084","0.0848","","","","","","1.048","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216574","18.924","0.004","19.117","0.003","13.892","0.004","90","","90","","90","","5026","2","213","","213","","","","","","","","see paper","7","I 21 21 21","I 2b 2c","24","Compound 7","Delta-tris(R,R-trans-1,2-diaminocyclohexane)chromiumtrichloride Lambda-tris(S,S-trans-1,2-diaminocyclohexane)cobalt(III)trichloride tetrahydrate","","- C36 H92 Cl6 Co Cr N12 O4 -","- C36 H92 Cl6 Co Cr N12 O4 -","- C144 H368 Cl24 Co4 Cr4 N48 O16 -","4","0.5","","Kalf, Irmgard; Calmuschi, Beatrice; Englert, Ulli","Chiral Cr(iii) and Co(iii) complex cations as building blocks for ordered and disordered salts","CrystEngComm","2002","4","91","548","","10.1039/b207786h","","","0.71073","Mo-Kα","","0.0477","0.0395","","","0.0962","0.0987","","","","","","1.05","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216575","10.4005","0.0004","11.8621","0.0005","17.3981","0.0007","97.621","0.001","90.256","0.001","111.417","0.001","1977.31","0.14","297","2","297","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H88 As2 N4 O36 V10 -","- C64 H88 As2 N4 O36 V10 -","- C64 H88 As2 N4 O36 V10 -","1","0.5","","Sharma, Sanjeev; Ramanan, Arunachalam; Zavalij, Peter Y.; Whittingham, M. Stanley","The first example of a novel one-dimensional cyclic tetrameric metavanadate: [PPh4]2V4O11","CrystEngComm","2002","4","100","601","","10.1039/b209979a","","","0.71073","MoKα","","0.0412","0.0338","","","0.0862","0.0901","","","","","","1.041","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216576","7.7127","0.0004","24.2056","0.0012","36.5848","0.0018","90","","94.75","0.001","90","","6806.6","0.6","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","tetraphenylphosponium vanadium oxide","","- C48 H40 O11 P2 V4 -","- C48 H40 O11 P2 V4 -","- C288 H240 O66 P12 V24 -","6","1.5","","Sharma, Sanjeev; Ramanan, Arunachalam; Zavalij, Peter Y.; Whittingham, M. Stanley","The first example of a novel one-dimensional cyclic tetrameric metavanadate: [PPh4]2V4O11","CrystEngComm","2002","4","100","601","","10.1039/b209979a","","","0.71073","MoKα","","0.0928","0.0547","","","0.106","0.1216","","","","","","1.002","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216577","25.2074","0.0016","9.8028","0.0006","17.4609","0.0011","90","","94.077","0.001","90","","4303.7","0.5","90","1","90","1","","","","","","","","2","C 1 2/c 1","-C 2yc","15","diPhAnthracene-C60","Diphenyl anthracene fullerene-C60 complex","","- C86 H18 -","- C86 H18 -","- C344 H72 -","4","0.5","","Litvinov, A. L.; Konarev, D. V.; Kovalevsky, A. Yu.; Neretin, I. S.; Slovokhotov, Yu. L.; Coppens, P.; Lyubovskaya, R. N.","Molecular complexes of fullerene C60 with aromatic hydrocarbons containing flexible phenyl substituents","CrystEngComm","2002","4","104","618","","10.1039/b209875j","","","0.71073","MoKα","","0.0572","0.0388","","","0.0888","0.097","","","","","","1.032","","","","has coordinates,has disorder","180496","2020-10-21","18:00:00",""
"7216578","13.255","0.003","18.55","0.005","18.597","0.005","90","","108.882","0.006","90","","4326.6","1.9","110","1","110","1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","C60 TPB clathrate","[60]fullerene triphenylbenzene clathrate","","- C84 H18 -","- C84 H18 -","- C336 H72 -","4","1","","Litvinov, A. L.; Konarev, D. V.; Kovalevsky, A. Yu.; Neretin, I. S.; Slovokhotov, Yu. L.; Coppens, P.; Lyubovskaya, R. N.","Molecular complexes of fullerene C60 with aromatic hydrocarbons containing flexible phenyl substituents","CrystEngComm","2002","4","104","618","","10.1039/b209875j","","","0.71073","MoKα","","0.185","0.0812","","0.2195","0.174","","","","0.932","1.204","1.204","","","","","has coordinates,has disorder","180496","2020-10-21","18:00:00",""
"7216579","10.089","0.006","12.709","0.005","13.642","0.005","91.17","0.04","91.06","0.05","111.42","0.03","1627.4","1.3","110","1","110","1","","","","","","","","3","P -1","-P 1","2","","[60]fullerene 1,3,5-triphenylbenzene chlorobenzene clathrate","","- C114 H41 Cl -","- C114 H41 Cl -","- C114 H41 Cl -","1","0.5","","Litvinov, A. L.; Konarev, D. V.; Kovalevsky, A. Yu.; Neretin, I. S.; Slovokhotov, Yu. L.; Coppens, P.; Lyubovskaya, R. N.","Molecular complexes of fullerene C60 with aromatic hydrocarbons containing flexible phenyl substituents","CrystEngComm","2002","4","104","618","","10.1039/b209875j","","","0.71073","MoKα","","0.1158","0.0904","","","0.2414","0.2719","","","","","","1.044","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216580","10.4757","0.0007","32.92","0.002","10.3173","0.0007","90","","118.224","0.002","90","","3135","0.4","90","1","90","1","","","","","","","","2","C 1 2/m 1","-C 2y","12","TetraPhEthylene-C60","Tetraphenylehtylene fullerene-C60 complex","","- C28 H10 -","- C28 H10 -","- C224 H80 -","8","1","","Litvinov, A. L.; Konarev, D. V.; Kovalevsky, A. Yu.; Neretin, I. S.; Slovokhotov, Yu. L.; Coppens, P.; Lyubovskaya, R. N.","Molecular complexes of fullerene C60 with aromatic hydrocarbons containing flexible phenyl substituents","CrystEngComm","2002","4","104","618","","10.1039/b209875j","","","0.71073","MoKα","","0.0876","0.0563","","","0.1327","0.1473","","","","","","0.962","","","","has coordinates,has disorder","180496","2020-10-21","18:00:00",""
"7216581","4.0446","0.0002","15.7964","0.0009","11.6721","0.0006","90","","91.563","0.003","90","","745.45","0.07","233","2","233","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 Cu N4 Na O2 Se4 -","- C8 H8 Cu N4 Na O2 Se4 -","- C16 H16 Cu2 N8 Na2 O4 Se8 -","2","0.5","","Ribas, Xavi; Dias, Jo�o; Morgado, Jorge; Wurst, Klaus; Almeida, Manuel; Veciana, Jaume; Rovira, Concepci�","Novel Cu(iii) bis-1,2-diselenolene complex with a highly extended 3D framework through Na+ coordination","CrystEngComm","2002","4","93","564","","10.1039/b209330h","","","0.71073","MoKα","","0.0343","0.029","","","0.0644","0.0663","","","","","","1.067","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216582","6.057","0.002","6.941","0.001","9.381","0.001","90","","94.5","0.02","90","","393.18","0.15","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C2 H8 N6 Ni S2 -","- C2 H8 N6 Ni S2 -","- C4 H16 N12 Ni2 S4 -","2","0.5","","Burrows, Andrew D.; Harrington, Ross W.; Mahon, Mary F.; Teat, Simon J.","Structural manipulation through selective substitution of hydrogen bonding groups: the supramolecular structures of bis(thiosemicarbazidato)nickel complexes","CrystEngComm","2002","4","89","539","","10.1039/b208284e","","","0.71069","MoKα","","0.0385","0.0348","","","0.084","0.0861","","","","","","1.122","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216583","9.956","0.002","4.6144","0.001","10.907","0.002","90","","110.034","0.005","90","","470.76","0.16","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H12 N6 Ni S2 -","- C4 H12 N6 Ni S2 -","- C8 H24 N12 Ni2 S4 -","2","0.5","","Burrows, Andrew D.; Harrington, Ross W.; Mahon, Mary F.; Teat, Simon J.","Structural manipulation through selective substitution of hydrogen bonding groups: the supramolecular structures of bis(thiosemicarbazidato)nickel complexes","CrystEngComm","2002","4","89","539","","10.1039/b208284e","","","0.6898","Synchrotron","","0.0388","0.0286","","","0.0593","0.0617","","","","","","1.041","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216584","5.706","0.0003","7.19","0.0006","7.746","0.0007","71.278","0.003","88.176","0.005","82.442","0.005","298.34","0.04","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H16 N6 Ni S2 -","- C6 H16 N6 Ni S2 -","- C6 H16 N6 Ni S2 -","1","0.5","","Burrows, Andrew D.; Harrington, Ross W.; Mahon, Mary F.; Teat, Simon J.","Structural manipulation through selective substitution of hydrogen bonding groups: the supramolecular structures of bis(thiosemicarbazidato)nickel complexes","CrystEngComm","2002","4","89","539","","10.1039/b208284e","","","0.71073","MoKα","","0.0353","0.03","","","0.075","0.0778","","","","","","1.046","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216585","5.6675","0.0004","7.6228","0.0007","8.0307","0.0007","91.356","0.005","94.19","0.005","96.79","0.005","343.41","0.05","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H20 N6 Ni S2 -","- C8 H20 N6 Ni S2 -","- C8 H20 N6 Ni S2 -","1","0.5","","Burrows, Andrew D.; Harrington, Ross W.; Mahon, Mary F.; Teat, Simon J.","Structural manipulation through selective substitution of hydrogen bonding groups: the supramolecular structures of bis(thiosemicarbazidato)nickel complexes","CrystEngComm","2002","4","89","539","","10.1039/b208284e","","","0.71069","MoKα","","0.0523","0.0352","","","0.0743","0.0807","","","","","","0.97","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216586","26.901","0.006","26.901","0.006","5.7535","0.0012","90","","90","","120","","3605.8","1.4","150","2","133","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C10 H24 N6 Ni S2 -","- C10 H24 N6 Ni S2 -","- C90 H216 N54 Ni9 S18 -","9","0.5","","Burrows, Andrew D.; Harrington, Ross W.; Mahon, Mary F.; Teat, Simon J.","Structural manipulation through selective substitution of hydrogen bonding groups: the supramolecular structures of bis(thiosemicarbazidato)nickel complexes","CrystEngComm","2002","4","89","539","","10.1039/b208284e","","","0.71073","MoKα","","0.0501","0.046","","","0.1015","0.1033","","","","","","1.211","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216587","13.8567","0.0008","8.1216","0.0005","17.0761","0.001","90","","102.229","0.001","90","","1878.11","0.19","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 Cu N3 O5 -","- C22 H17 Cu N3 O5 -","- C88 H68 Cu4 N12 O20 -","4","1","","Lu, Jack Y.; Schauss, Vaughn","Two Cu(ii) complexes synthesized by using a solid-state compound with an extended crystal structure as the copper-ion source","CrystEngComm","2002","4","105","623","","10.1039/b210309e","","","0.71073","MoKα","","0.0345","0.0244","","","0.0649","0.07","","","","","","1.04","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216588","7.5427","0.0003","12.6346","0.0006","13.8675","0.0006","79.491","0.001","83.787","0.001","81.277","0.001","1279.94","0.1","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H42 Cu3 N14 O8 -","- C54 H42 Cu3 N14 O8 -","- C54 H42 Cu3 N14 O8 -","1","0.5","","Lu, Jack Y.; Schauss, Vaughn","Two Cu(ii) complexes synthesized by using a solid-state compound with an extended crystal structure as the copper-ion source","CrystEngComm","2002","4","105","623","","10.1039/b210309e","","","0.71073","MoKα","","0.035","0.0264","","","0.0682","0.073","","","","","","0.995","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216589","9.4585","0.0002","10.2286","0.0002","15.4751","0.0004","71.744","0.001","87.438","0.001","66.696","0.001","1300.42","0.05","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","3-{2-[2-(3-hydroxy-3,3-diphenyl-prop-1-ynyl)-phenylazo]-phenyl}-1,1- diphenyl-prop-2-yn-1-ol N,N,N',N'-tetramethyethylenediamine toluene solvate","","- C62 H62 N4 O2 -","- C62 H62 N4 O2 -","- C62 H62 N4 O2 -","1","0.5","","Scott, Janet L.; Downie, Andrew P.; Asami, Masaya; Tanaka, Koichi","Chromogenic guest-responsive host compounds which allow rapid guest screening","CrystEngComm","2002","4","96","580","","10.1039/b206162g","","","0.71073","MoKα","","0.174","0.0793","","","0.2403","0.2911","","","","","","0.951","","","","has coordinates,has disorder","288216","2023-12-11","20:37:33",""
"7216590","9.1559","0.0002","10.5862","0.0003","11.6018","0.0004","89.27","0.001","84.726","0.002","65.225","0.002","1016.28","0.05","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","3-{3-[3-(3-hydroxy-3,3-diphenyl-prop-1-ynyl)-phenylazo]-phenyl} -1,1-diphenyl-prop-2-yn-1-ol pyridine solvate","","- C52 H40 N4 O2 -","- C52 H40 N4 O2 -","- C52 H40 N4 O2 -","1","0.5","","Scott, Janet L.; Downie, Andrew P.; Asami, Masaya; Tanaka, Koichi","Chromogenic guest-responsive host compounds which allow rapid guest screening","CrystEngComm","2002","4","96","580","","10.1039/b206162g","","","0.71073","MoKα","","0.1417","0.0489","","","0.0941","0.1176","","","","","","0.888","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216591","9.0344","0.0002","6.3416","0.0002","40.15","","90","","94.456","0.003","90","","2293.34","0.09","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-{4-[4-(3-hydroxy-3,3-diphenyl-prop-1-ynyl)-phenylazo]-phenyl}- 1,1-diphenyl-prop-2-yn-1-ol N,N,N',N'-tetramethylmethylenediamine solvate","","- C52 H58 N6 O2 -","- C52 H58 N6 O2 -","- C104 H116 N12 O4 -","2","0.5","","Scott, Janet L.; Downie, Andrew P.; Asami, Masaya; Tanaka, Koichi","Chromogenic guest-responsive host compounds which allow rapid guest screening","CrystEngComm","2002","4","96","580","","10.1039/b206162g","","","0.71073","MoKα","","0.1553","0.0539","","","0.1001","0.1287","","","","","","0.897","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216592","6.3341","0.0002","10.972","0.0003","16.0192","0.0005","104.947","0.001","94.277","0.001","93.557","0.002","1068.81","0.06","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","3-{3-[3-(3-hydroxy-3,3-diphenyl-prop-1-ynyl)-phenylazo]-phenyl}-1, 1-diphenyl-prop-2-yn-1-ol N,N,N',N'-tetramethylethylenediamine dichloromethane solvate","","- C49 H48 Cl2 N4 O2 -","- C49 H48 Cl2 N4 O2 -","- C49 H48 Cl2 N4 O2 -","1","0.5","","Scott, Janet L.; Downie, Andrew P.; Asami, Masaya; Tanaka, Koichi","Chromogenic guest-responsive host compounds which allow rapid guest screening","CrystEngComm","2002","4","96","580","","10.1039/b206162g","","","0.71073","MoKα","","0.1114","0.0699","","","0.187","0.21","","","","","","1.071","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216593","13.842","0.003","21.609","0.004","7.486","0.002","90","","93.653","0.004","90","","2234.6","0.9","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[CuL3e]{BF2(OMe)2}(BF4)","1,2-Bis(amidino-O-ethylurea)ethanecopper(II) difluorodimethoxyborate tetrafluoroborate","","- C12 H28 B2 Cu F6 N8 O4 -","- C12 H28 B2 Cu F6 N8 O4 -","- C48 H112 B8 Cu4 F24 N32 O16 -","4","1","","Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Wilson, Claire","Generation and structural characterisation of a difluorodimethoxyborate-mediated hydrogen-bonded supramolecular synthon","CrystEngComm","2002","4","108","638","","10.1039/b210393c","","","0.71073","MoKα","","0.0707","0.0452","","","0.121","0.1301","","","","","","1.001","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216594","14.907","0.003","11.442","0.002","10.488","0.002","90","","94.78","0.03","90","","1782.7","0.6","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[CuL2m](BF4)2","1,2-Bis(amidino-O-methylurea)ethanecopper(II) tetrafluoroborate","","- C8 H18 B2 Cu F8 N8 O2 -","- C8 H18 B2 Cu F8 N8 O2 -","- C32 H72 B8 Cu4 F32 N32 O8 -","4","1","","Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Wilson, Claire","Generation and structural characterisation of a difluorodimethoxyborate-mediated hydrogen-bonded supramolecular synthon","CrystEngComm","2002","4","108","638","","10.1039/b210393c","","","0.71073","MoKα","","0.0575","0.0477","","","0.1331","0.1398","","","","","","1.07","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216595","5.316","0.001","7.505","0.002","10.365","0.002","107.07","0.02","98.9","0.02","95.48","0.02","386.18","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C3 H10 Cu0.5 Mn0.5 O8 -","- C3 H10 Cu0.5 Mn0.5 O8 -","- C6 H20 Cu Mn O16 -","2","1","","Rodr�guez-Mart�n, Yolanda; Sanchiz, Joaqu�n; Ruiz-P�rez, Catalina; Lloret, Francesc; Julve, Miguel","Alternating cationic?anionic layers in the [Mii(H2O)6][Cuii(mal)2(H2O)] complexes linked through hydrogen bonds (M = Mn, Co, Ni, Cu and Zn; H2mal = malonic acid)","CrystEngComm","2002","4","107","631","","10.1039/b206728e","","","0.71073","MoKα","","0.0532","0.0491","","","0.1341","0.1387","","","","","","1.098","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216596","5.266","0.001","7.495","0.001","10.332","0.002","107.14","0.001","98.99","0.002","96.17","0.001","379.77","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C3 H10 Co0.5 Cu0.5 O8 -","- C3 H10 Co0.5 Cu0.5 O8 -","- C6 H20 Co Cu O16 -","2","1","","Rodr�guez-Mart�n, Yolanda; Sanchiz, Joaqu�n; Ruiz-P�rez, Catalina; Lloret, Francesc; Julve, Miguel","Alternating cationic?anionic layers in the [Mii(H2O)6][Cuii(mal)2(H2O)] complexes linked through hydrogen bonds (M = Mn, Co, Ni, Cu and Zn; H2mal = malonic acid)","CrystEngComm","2002","4","107","631","","10.1039/b206728e","","","0.71073","MoKα","","0.0314","0.0288","","","0.0855","0.09","","","","","","0.732","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216597","5.242","0.001","7.48","0.003","10.278","0.004","107.15","0.03","98.77","0.03","96.34","0.03","375.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C3 H10 Cu0.5 Ni0.5 O8 -","- C3 H10 Cu0.5 Ni0.5 O8 -","- C6 H20 Cu Ni O16 -","2","1","","Rodr�guez-Mart�n, Yolanda; Sanchiz, Joaqu�n; Ruiz-P�rez, Catalina; Lloret, Francesc; Julve, Miguel","Alternating cationic?anionic layers in the [Mii(H2O)6][Cuii(mal)2(H2O)] complexes linked through hydrogen bonds (M = Mn, Co, Ni, Cu and Zn; H2mal = malonic acid)","CrystEngComm","2002","4","107","631","","10.1039/b206728e","","","0.71073","MoKα","","0.0476","0.0273","","","0.077","0.096","","","","","","0.705","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216598","5.241","0.001","7.584","0.0015","10.219","0.002","106.53","0.03","99.52","0.03","93.85","0.03","381.22","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C3 H10 Cu O8 -","- C3 H10 Cu O8 -","- C6 H20 Cu2 O16 -","2","1","","Rodr�guez-Mart�n, Yolanda; Sanchiz, Joaqu�n; Ruiz-P�rez, Catalina; Lloret, Francesc; Julve, Miguel","Alternating cationic?anionic layers in the [Mii(H2O)6][Cuii(mal)2(H2O)] complexes linked through hydrogen bonds (M = Mn, Co, Ni, Cu and Zn; H2mal = malonic acid)","CrystEngComm","2002","4","107","631","","10.1039/b206728e","","","0.71073","MoKα","","0.0526","0.0498","","","0.1257","0.1285","","","","","","1.046","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216599","5.274","0.002","7.5042","0.001","10.314","0.002","106.919","0.01","99.15","0.02","95.81","0.02","380.83","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C3 H10 Cu0.5 O8 Zn0.5 -","- C3 H10 Cu0.5 O8 Zn0.5 -","- C6 H20 Cu O16 Zn -","2","1","","Rodr�guez-Mart�n, Yolanda; Sanchiz, Joaqu�n; Ruiz-P�rez, Catalina; Lloret, Francesc; Julve, Miguel","Alternating cationic?anionic layers in the [Mii(H2O)6][Cuii(mal)2(H2O)] complexes linked through hydrogen bonds (M = Mn, Co, Ni, Cu and Zn; H2mal = malonic acid)","CrystEngComm","2002","4","107","631","","10.1039/b206728e","","","0.71073","MoKα","","0.047","0.0439","","","0.116","0.119","","","","","","0.975","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216600","9.6113","0.0006","15.4223","0.0011","15.8657","0.0011","101.068","0.001","102.869","0.001","105.546","0.001","2128","0.3","178","2","178","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H14 O2 S4 Zn -","- C8 H14 O2 S4 Zn -","- C48 H84 O12 S24 Zn6 -","6","3","","Lai, Chian Sing; Lim, Yu Xian; Yap, Timothy C.; Tiekink, Edward R. T.","Molecular paving with zinc thiolates","CrystEngComm","2002","4","99","596","","10.1039/b210187d","","","0.71069","MoKalpha","","0.079","0.051","","","0.114","0.137","","","","","","1.02","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216601","17.2158","0.0007","19.9156","0.0009","14.3422","0.0006","90","","103.988","0.002","90","","4771.6","0.4","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H44 B2 Cu F8 N4 S4 -","- C48 H44 B2 Cu F8 N4 S4 -","- C192 H176 B8 Cu4 F32 N16 S16 -","4","0.5","","Holmes, Kathryn E.; Kelly, Paul F.; Elsegood, Mark R. J.","Structural diversity within the products of the reaction of Ph2SNH with copper(ii) tetrafluoroborate","CrystEngComm","2002","4","90","545","547","10.1039/b209185m","","","0.71073","MoKα","","0.0374","0.0293","","","0.0721","0.0783","","","","","","1.044","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216602","9.5206","0.0007","10.6097","0.0007","13.0115","0.0009","102.414","0.002","100.311","0.002","107.168","0.002","1184.26","0.14","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H44 B2 Cu F8 N4 S4 -","- C48 H44 B2 Cu F8 N4 S4 -","- C48 H44 B2 Cu F8 N4 S4 -","1","0.5","","Holmes, Kathryn E.; Kelly, Paul F.; Elsegood, Mark R. J.","Structural diversity within the products of the reaction of Ph2SNH with copper(ii) tetrafluoroborate","CrystEngComm","2002","4","90","545","547","10.1039/b209185m","","","0.71073","MoKα","","0.0399","0.0332","","","0.0811","0.0858","","","","","","1.057","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216603","14.6815","0.0005","10.149","0.0003","35.2706","0.0011","90","","99.88","0.002","90","","5177.5","0.3","150","2","150","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C50 H47 B2 Cu F8 N5 S4 -","- C50 H47 B2 Cu F8 N5 S4 -","- C200 H188 B8 Cu4 F32 N20 S16 -","4","1","","Holmes, Kathryn E.; Kelly, Paul F.; Elsegood, Mark R. J.","Structural diversity within the products of the reaction of Ph2SNH with copper(ii) tetrafluoroborate","CrystEngComm","2002","4","90","545","547","10.1039/b209185m","","","0.71073","MoKα","","0.0592","0.0432","","","0.1094","0.1197","","","","","","1.044","","","","has coordinates,has disorder","180497","2020-10-21","18:00:00",""
"7216604","10.5191","0.0004","17.3144","0.0006","29.5797","0.001","90","","91.455","0.002","90","","5385.7","0.3","150","2","150","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C108 H99 B4 Cu2 F16 N9 S9 -","- C108 H99 B4 Cu2 F16 N9 S9 -","- C216 H198 B8 Cu4 F32 N18 S18 -","2","1","","Holmes, Kathryn E.; Kelly, Paul F.; Elsegood, Mark R. J.","Structural diversity within the products of the reaction of Ph2SNH with copper(ii) tetrafluoroborate","CrystEngComm","2002","4","90","545","547","10.1039/b209185m","","","0.71073","MoKα","","0.0656","0.052","","","0.1285","0.1416","","","","","","1.014","","","","has coordinates,has disorder","180497","2020-10-21","18:00:00",""
"7216605","7.118","0.003","7.303","0.003","12.172","0.004","84.61","0.03","79.88","0.03","64.5","0.03","562.1","0.4","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","2-cyanoguanidine 2-(N-cyano)imino-4,6-dimethylpyrimidine adduct (1:1)","","- C9 H12 N8 -","- C9 H12 N8 -","- C18 H24 N16 -","2","1","","Quinlan, Daniel J.; Blake, Alexander J.; Hubberstey, Peter","Hydrogen-bonded two-dimensional sheet construction in the 1?1 adduct between 2-cyanoguanidine and 2-(N-cyano)imino-4,6-dimethylpyrimidine","CrystEngComm","2002","4","94","568","","10.1039/b208058n","","","0.71073","MoKα","","0.0916","0.06","","","0.1185","0.145","","","","","","1.234","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216606","15.1936","0.0002","7.2404","0.0001","17.3198","0.0001","90","","96.105","0.001","90","","1894.51","0.04","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 O6 -","- C22 H18 O6 -","- C88 H72 O24 -","4","1","","Liu, Rong; Valiyaveettil, Suresh; Mok, Kum-Fun; Vittal, Jagadese J.; Hoong, Angelia Kar Min","Solid-state self-assembly of 1,4-bis(2-carboxybenzyloxy)benzene in the presence and absence of aromatic amines","CrystEngComm","2002","4","95","574","","10.1039/b206055h","","","0.71073","MoKα","","0.0625","0.0443","","","0.1193","0.1296","","","","","","1.059","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216607","6.1009","0.0007","8.0739","0.0009","13.4904","0.0015","83.523","0.002","80.384","0.001","87.233","0.002","650.7","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H26 N2 O6 -","- C32 H26 N2 O6 -","- C32 H26 N2 O6 -","1","0.5","","Liu, Rong; Valiyaveettil, Suresh; Mok, Kum-Fun; Vittal, Jagadese J.; Hoong, Angelia Kar Min","Solid-state self-assembly of 1,4-bis(2-carboxybenzyloxy)benzene in the presence and absence of aromatic amines","CrystEngComm","2002","4","95","574","","10.1039/b206055h","","","0.71073","MoKα","","0.0887","0.0527","","","0.13","0.148","","","","","","1.035","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216608","8.9416","0.0011","8.1164","0.001","18.832","0.002","90","","91.627","0.003","90","","1366.2","0.3","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 N2 O6 -","- C34 H28 N2 O6 -","- C68 H56 N4 O12 -","2","0.5","","Liu, Rong; Valiyaveettil, Suresh; Mok, Kum-Fun; Vittal, Jagadese J.; Hoong, Angelia Kar Min","Solid-state self-assembly of 1,4-bis(2-carboxybenzyloxy)benzene in the presence and absence of aromatic amines","CrystEngComm","2002","4","95","574","","10.1039/b206055h","","","0.71073","MoKα","","0.1171","0.0981","","","0.2763","0.2994","","","","","","1.075","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216617","6.6943","0.0006","15.4475","0.0015","15.5647","0.0015","94.626","0.001","98.453","0.001","101.528","0.001","1549.9","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H58 N2 O3 -","- C31 H58 N2 O3 -","- C62 H116 N4 O6 -","2","1","","Fang, Yuan; Salamé, Nadime; Woo, Simon; Bohle, D. Scott; Friščić, Tomislav; Cuccia, Louis A.","Rapid and facile solvent-free mechanosynthesis in a cell lysis mill: preparation and mechanochemical complexation of aminobenzoquinones","CrystEngComm","2014","16","31","7180","","10.1039/C4CE00328D","","","0.71073","MoKα","","0.0917","0.0724","","","0.1856","0.202","","","","","","1.069","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216618","7.116","0.002","9.994","0.004","19.147","0.007","81.47","0.009","82.505","0.008","87.191","0.008","1334.5","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","Ciprofloxacin diflunisal salt","","","- C30 H26 F3 N3 O6 -","- C30 H26 F3 N3 O6 -","- C60 H52 F6 N6 O12 -","2","1","","Bag, Partha Pratim; Ghosh, Soumyajit; Khan, Hamza; Devarapalli, Ramesh; Malla Reddy, C.","Drug‒drug salt forms of ciprofloxacin with diflunisal and indoprofen","CrystEngComm","2014","16","32","7393","","10.1039/C4CE00631C","","","0.71073","MoKα","","0.0822","0.0418","","","0.1122","0.1631","","","","","","0.853","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216619","10.325","0.004","12.615","0.005","12.916","0.005","71.51","0.007","74.334","0.007","70.672","0.007","1479.7","1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","Ciprofloxacin indoprofen hydrate salt","","","- C34 H35 F N4 O7 -","- C34 H35 F N4 O7 -","- C68 H70 F2 N8 O14 -","2","1","","Bag, Partha Pratim; Ghosh, Soumyajit; Khan, Hamza; Devarapalli, Ramesh; Malla Reddy, C.","Drug‒drug salt forms of ciprofloxacin with diflunisal and indoprofen","CrystEngComm","2014","16","32","7393","","10.1039/C4CE00631C","","","0.71073","MoKα","","0.1216","0.0548","","","0.1182","0.1472","","","","","","1.012","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216620","7.943","0.003","12.822","0.005","13.509","0.005","90","","90.626","0.012","90","","1375.7","0.9","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 Cu N4 O10 -","- C26 H22 Cu N4 O10 -","- C52 H44 Cu2 N8 O20 -","2","0.5","","Paul, Mithun; Dastidar, Parthasarathi","Coordination polymers derived from pyridyl carboxylate ligands having an amide backbone: an attempt towards the selective separation of CuIIcation following in situ crystallization under competitive conditions","CrystEngComm","2014","16","33","7815","","10.1039/C4CE00733F","","","0.71073","MoKα","","0.098","0.0456","","","0.1069","0.1362","","","","","","1.076","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7216621","7.7617","0.0002","12.4624","0.0003","13.3308","0.0004","90","","101.243","0.001","90","","1264.73","0.06","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 Co N4 O10 -","- C26 H26 Co N4 O10 -","- C52 H52 Co2 N8 O20 -","2","0.5","","Paul, Mithun; Dastidar, Parthasarathi","Coordination polymers derived from pyridyl carboxylate ligands having an amide backbone: an attempt towards the selective separation of CuIIcation following in situ crystallization under competitive conditions","CrystEngComm","2014","16","33","7815","","10.1039/C4CE00733F","","","0.71073","MoKα","","0.0412","0.032","","","0.1034","0.117","","","","","","0.878","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7216622","9.3173","0.0006","10.4833","0.0006","14.0375","0.0008","97.468","0.002","96.161","0.002","91.98","0.002","1350.01","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H26 N4 O10 Zn -","- C26 H18 N4 O10 Zn -","- C52 H36 N8 O20 Zn2 -","2","1","","Paul, Mithun; Dastidar, Parthasarathi","Coordination polymers derived from pyridyl carboxylate ligands having an amide backbone: an attempt towards the selective separation of CuIIcation following in situ crystallization under competitive conditions","CrystEngComm","2014","16","33","7815","","10.1039/C4CE00733F","","","0.71073","MoKα","","0.0677","0.0522","","","0.1759","0.1944","","","","","","1.056","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7216623","8.7935","0.0009","12.2071","0.0013","12.6146","0.0013","96.023","0.004","103.536","0.004","96.686","0.004","1295.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 Cd N4 O9 -","- C26 H18 Cd N4 O9 -","- C52 H36 Cd2 N8 O18 -","2","1","","Paul, Mithun; Dastidar, Parthasarathi","Coordination polymers derived from pyridyl carboxylate ligands having an amide backbone: an attempt towards the selective separation of CuIIcation following in situ crystallization under competitive conditions","CrystEngComm","2014","16","33","7815","","10.1039/C4CE00733F","","","0.71073","MoKα","","0.0365","0.0304","","","0.0893","0.1004","","","","","","1.187","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7216624","7.9016","0.0001","12.7481","0.0002","13.556","0.0002","90","","101.935","0.001","90","","1335.98","0.03","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 Cd N4 O10 -","- C26 H26 Cd N4 O10 -","- C52 H52 Cd2 N8 O20 -","2","0.5","","Paul, Mithun; Dastidar, Parthasarathi","Coordination polymers derived from pyridyl carboxylate ligands having an amide backbone: an attempt towards the selective separation of CuIIcation following in situ crystallization under competitive conditions","CrystEngComm","2014","16","33","7815","","10.1039/C4CE00733F","","","0.71073","MoKα","","0.0298","0.0218","","","0.0639","0.0777","","","","","","1.139","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216625","7.7788","0.0003","12.5459","0.0004","13.3501","0.0005","90","","101.483","0.001","90","","1276.79","0.08","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 Fe N4 O10 -","- C26 H26 Fe N4 O10 -","- C52 H52 Fe2 N8 O20 -","2","0.5","","Paul, Mithun; Dastidar, Parthasarathi","Coordination polymers derived from pyridyl carboxylate ligands having an amide backbone: an attempt towards the selective separation of CuIIcation following in situ crystallization under competitive conditions","CrystEngComm","2014","16","33","7815","","10.1039/C4CE00733F","","","0.71073","MoKα","","0.0405","0.0323","","","0.0934","0.1048","","","","","","1.082","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216626","8.8359","0.0006","19.4935","0.0013","8.0415","0.0005","90","","96.394","0.002","90","","1376.47","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 Cu N4 O12 -","- C26 H26 Cu N4 O12 -","- C52 H52 Cu2 N8 O24 -","2","0.5","","Paul, Mithun; Dastidar, Parthasarathi","Coordination polymers derived from pyridyl carboxylate ligands having an amide backbone: an attempt towards the selective separation of CuIIcation following in situ crystallization under competitive conditions","CrystEngComm","2014","16","33","7815","","10.1039/C4CE00733F","","","0.71073","MoKα","","0.0614","0.041","","","0.1103","0.1325","","","","","","1.126","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216627","9.0273","0.0008","9.6688","0.0008","15.3406","0.0012","90","","99.176","0.003","90","","1321.84","0.19","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 Cu N4 O10 -","- C26 H18 Cu N4 O10 -","- C52 H36 Cu2 N8 O20 -","2","0.5","","Paul, Mithun; Dastidar, Parthasarathi","Coordination polymers derived from pyridyl carboxylate ligands having an amide backbone: an attempt towards the selective separation of CuIIcation following in situ crystallization under competitive conditions","CrystEngComm","2014","16","33","7815","","10.1039/C4CE00733F","","","0.71073","MoKα","","0.1039","0.0586","","","0.1359","0.1714","","","","","","1.113","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216628","8.793","0.001","9.8082","0.0011","15.5768","0.0018","90","","100.664","0.003","90","","1320.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 Co N4 O10 -","- C26 H26 Co N4 O10 -","- C52 H52 Co2 N8 O20 -","2","0.5","","Paul, Mithun; Dastidar, Parthasarathi","Coordination polymers derived from pyridyl carboxylate ligands having an amide backbone: an attempt towards the selective separation of CuIIcation following in situ crystallization under competitive conditions","CrystEngComm","2014","16","33","7815","","10.1039/C4CE00733F","","","0.71073","MoKα","","0.0269","0.0252","","","0.071","0.072","","","","","","1.049","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216629","10.6479","0.0004","11.0165","0.0005","12.9533","0.0005","106.997","0.002","96.481","0.002","106.063","0.002","1364.97","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H26 N4 O9 Zn -","- C27 H26 N4 O9 Zn -","- C54 H52 N8 O18 Zn2 -","2","1","","Paul, Mithun; Dastidar, Parthasarathi","Coordination polymers derived from pyridyl carboxylate ligands having an amide backbone: an attempt towards the selective separation of CuIIcation following in situ crystallization under competitive conditions","CrystEngComm","2014","16","33","7815","","10.1039/C4CE00733F","","","0.71073","MoKα","","0.0438","0.0359","","","0.101","0.1067","","","","","","1.041","","","","has coordinates,has disorder","180497","2020-10-21","18:00:00",""
"7216630","20.3394","0.0016","10.1426","0.0007","14.968","0.0009","90","","104.5","0.005","90","","2989.5","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H31 Cd N4 O11 -","- C28 H25 Cd N4 O11 -","- C112 H100 Cd4 N16 O44 -","4","0.5","","Paul, Mithun; Dastidar, Parthasarathi","Coordination polymers derived from pyridyl carboxylate ligands having an amide backbone: an attempt towards the selective separation of CuIIcation following in situ crystallization under competitive conditions","CrystEngComm","2014","16","33","7815","","10.1039/C4CE00733F","","","0.71073","MoKα","","0.03","0.0253","","","0.069","0.0715","","","","","","1.12","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216631","16.5778","0.0008","16.9789","0.0008","21.804","0.001","90","","94.606","0.002","90","","6117.4","0.5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 Cd2 Cl2 N4 O11 -","- C26 H20 Cd2 Cl2 N4 O11 -","- C208 H160 Cd16 Cl16 N32 O88 -","8","1","","Paul, Mithun; Dastidar, Parthasarathi","Coordination polymers derived from pyridyl carboxylate ligands having an amide backbone: an attempt towards the selective separation of CuIIcation following in situ crystallization under competitive conditions","CrystEngComm","2014","16","33","7815","","10.1039/C4CE00733F","","","0.71073","MoKα","","0.0528","0.0362","","","0.0988","0.1171","","","","","","1.023","","","","has coordinates,has disorder","180497","2020-10-21","18:00:00",""
"7216632","9.4072","0.0003","12.735","0.0003","17.8919","0.0005","90","","90","","90","","2143.46","0.1","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C13 H10 N2 O3 -","- C13 H10 N2 O3 -","- C104 H80 N16 O24 -","8","1","","Paul, Mithun; Dastidar, Parthasarathi","Coordination polymers derived from pyridyl carboxylate ligands having an amide backbone: an attempt towards the selective separation of CuIIcation following in situ crystallization under competitive conditions","CrystEngComm","2014","16","33","7815","","10.1039/C4CE00733F","","","0.71073","MoKα","","0.0965","0.0526","","","0.1295","0.1543","","","","","","1.007","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7216633","18.1964","0.0007","8.1426","0.0003","3.9569","0.0001","90","","124.043","0.002","90","","485.8","0.03","293","","293","","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C6 H6 Ca Cl2 N2 O -","- C6 H6 Ca Cl2 N2 O -","- C12 H12 Ca2 Cl4 N4 O2 -","2","1","","Braga, Dario; Grepioni, Fabrizia; Lampronti, Giulio I.; Maini, Lucia; Rubini, Katia; Turrina, Alessandro; Zorzi, Federico","Crystal form selectivity by humidity control: the case of the ionic co-crystals of nicotinamide and CaCl2","CrystEngComm","2014","16","32","7452","","10.1039/C4CE00464G","powder diffraction","","1.5406","CuKα","","","","","","","","","","1.222","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"7216634","17.5215","0.0006","11.4158","0.0004","6.7943","0.0002","90","","90","","90","","1359.01","0.08","293","","293","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C6 H14 Ca Cl2 N2 O5 -","- C6 H6 Ca Cl2 N2 O5 -","- C24 H24 Ca4 Cl8 N8 O20 -","4","1","","Braga, Dario; Grepioni, Fabrizia; Lampronti, Giulio I.; Maini, Lucia; Rubini, Katia; Turrina, Alessandro; Zorzi, Federico","Crystal form selectivity by humidity control: the case of the ionic co-crystals of nicotinamide and CaCl2","CrystEngComm","2014","16","32","7452","","10.1039/C4CE00464G","powder diffraction","","1.5406","CuKα","","","","","","","","","0.03117","1.46","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"7216635","10.18","0.002","11.926","0.002","13.693","0.003","105.79","0.03","97.96","0.03","95.69","0.03","1567.9","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 N11 Nd O13 -","- C24 H24 N11 Nd O13 -","- C48 H48 N22 Nd2 O26 -","2","1","","Xue, Jun-Hui; Hua, Xiao-Hui; Yang, Li-Min; Li, Wei-Hong; Xu, Yi-Zhuang; Zhao, Guo-Zhong; Zhang, Gao-Hui; Liu, Ke-Xin; Chen, Jia-Er; Wu, Jin-Guang","The coordination of lanthanide ions with picolinamide. The influence of different anions","CrystEngComm","2014","16","33","7711","","10.1039/C4CE00606B","","","0.71073","MoKα","","0.0414","0.0376","","","0.1057","0.122","","","","","","1.19","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216636","28.898","0.006","7.76","0.0016","19.778","0.004","90","","104.39","0.03","90","","4296","1.6","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H22 Cl3 La N4 O7 -","- C12 H22 Cl3 La N4 O7 -","- C96 H176 Cl24 La8 N32 O56 -","8","1","","Xue, Jun-Hui; Hua, Xiao-Hui; Yang, Li-Min; Li, Wei-Hong; Xu, Yi-Zhuang; Zhao, Guo-Zhong; Zhang, Gao-Hui; Liu, Ke-Xin; Chen, Jia-Er; Wu, Jin-Guang","The coordination of lanthanide ions with picolinamide. The influence of different anions","CrystEngComm","2014","16","33","7711","","10.1039/C4CE00606B","","","0.71073","MoKα","","0.0627","0.0537","","","0.1187","0.123","","","","","","1.249","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216637","28.77","0.006","7.739","0.0015","19.629","0.004","90","","104.26","0.03","90","","4235.8","1.6","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H22 Cl3 N4 Nd O7 -","- C12 H22 Cl3 N4 Nd O7 -","- C96 H176 Cl24 N32 Nd8 O56 -","8","1","","Xue, Jun-Hui; Hua, Xiao-Hui; Yang, Li-Min; Li, Wei-Hong; Xu, Yi-Zhuang; Zhao, Guo-Zhong; Zhang, Gao-Hui; Liu, Ke-Xin; Chen, Jia-Er; Wu, Jin-Guang","The coordination of lanthanide ions with picolinamide. The influence of different anions","CrystEngComm","2014","16","33","7711","","10.1039/C4CE00606B","","","0.71073","MoKα","","0.0276","0.0262","","","0.0598","0.0607","","","","","","1.135","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216638","28.794","0.006","7.7507","0.0016","19.683","0.004","90","","104.34","0.03","90","","4255.9","1.6","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H22 Cl3 N4 O7 Pr -","- C12 H22 Cl3 N4 O7 Pr -","- C96 H176 Cl24 N32 O56 Pr8 -","8","1","","Xue, Jun-Hui; Hua, Xiao-Hui; Yang, Li-Min; Li, Wei-Hong; Xu, Yi-Zhuang; Zhao, Guo-Zhong; Zhang, Gao-Hui; Liu, Ke-Xin; Chen, Jia-Er; Wu, Jin-Guang","The coordination of lanthanide ions with picolinamide. The influence of different anions","CrystEngComm","2014","16","33","7711","","10.1039/C4CE00606B","","","0.71073","MoKα","","0.0497","0.0419","","","0.0831","0.087","","","","","","1.105","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216639","28.712","0.006","7.7286","0.0015","19.559","0.004","90","","104.11","0.03","90","","4209.3","1.6","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H22 Cl3 N4 O7 Sm -","- C12 H22 Cl3 N4 O7 Sm -","- C96 H176 Cl24 N32 O56 Sm8 -","8","1","","Xue, Jun-Hui; Hua, Xiao-Hui; Yang, Li-Min; Li, Wei-Hong; Xu, Yi-Zhuang; Zhao, Guo-Zhong; Zhang, Gao-Hui; Liu, Ke-Xin; Chen, Jia-Er; Wu, Jin-Guang","The coordination of lanthanide ions with picolinamide. The influence of different anions","CrystEngComm","2014","16","33","7711","","10.1039/C4CE00606B","","","0.71073","MoKα","","0.0827","0.0747","","","0.1904","0.2011","","","","","","1.18","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216640","28.616","0.006","7.7264","0.0015","19.526","0.004","90","","104.04","0.03","90","","4188.2","1.6","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H22 Cl3 Gd N4 O7 -","- C12 H22 Cl3 Gd N4 O7 -","- C96 H176 Cl24 Gd8 N32 O56 -","8","1","","Xue, Jun-Hui; Hua, Xiao-Hui; Yang, Li-Min; Li, Wei-Hong; Xu, Yi-Zhuang; Zhao, Guo-Zhong; Zhang, Gao-Hui; Liu, Ke-Xin; Chen, Jia-Er; Wu, Jin-Guang","The coordination of lanthanide ions with picolinamide. The influence of different anions","CrystEngComm","2014","16","33","7711","","10.1039/C4CE00606B","","","0.71073","MoKα","","0.0396","0.0357","","","0.1016","0.1163","","","","","","1.238","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216641","8.6514","0.0017","9.1529","0.0018","14.048","0.003","96.25","0.03","99.78","0.03","105.83","0.03","1040.4","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H22 Cl3 Er N4 O7 -","- C12 H22 Cl3 Er N4 O7 -","- C24 H44 Cl6 Er2 N8 O14 -","2","1","","Xue, Jun-Hui; Hua, Xiao-Hui; Yang, Li-Min; Li, Wei-Hong; Xu, Yi-Zhuang; Zhao, Guo-Zhong; Zhang, Gao-Hui; Liu, Ke-Xin; Chen, Jia-Er; Wu, Jin-Guang","The coordination of lanthanide ions with picolinamide. The influence of different anions","CrystEngComm","2014","16","33","7711","","10.1039/C4CE00606B","","","0.71073","MoKα","","0.0254","0.0246","","","0.0679","0.0684","","","","","","1.201","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216642","29.485","0.006","7.878","0.0016","20.344","0.004","90","","103.39","0.03","90","","4597.1","1.7","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H22 Br3 N4 O7 Pr -","- C12 H22 Br3 N4 O7 Pr -","- C96 H176 Br24 N32 O56 Pr8 -","8","1","","Xue, Jun-Hui; Hua, Xiao-Hui; Yang, Li-Min; Li, Wei-Hong; Xu, Yi-Zhuang; Zhao, Guo-Zhong; Zhang, Gao-Hui; Liu, Ke-Xin; Chen, Jia-Er; Wu, Jin-Guang","The coordination of lanthanide ions with picolinamide. The influence of different anions","CrystEngComm","2014","16","33","7711","","10.1039/C4CE00606B","","","0.71073","MoKα","","0.082","0.0646","","","0.1693","0.1984","","","","","","1.221","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216645","14.3564","0.0012","13.8963","0.0012","18.4197","0.0015","90","","90","","90","","3674.7","0.5","296","2","296","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C6 H44 Mo6 N6 O29.5 P -","- C6 H13 Mo6 N6 O29.5 P -","- C24 H52 Mo24 N24 O118 P4 -","4","1","","Yang, Donghui; Liang, Yanfen; Ma, Pengtao; Li, Suzhi; Wang, Jingping; Niu, Jingyang","Self assembly of carboxylate/alcoholate functionalized ring-shape phosphomolybdates","CrystEngComm","2014","16","34","8041","","10.1039/C4CE00580E","","","0.71073","MoKα","","0.0325","0.0307","","","0.0825","0.0837","","","","","","1.037","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216646","14.932","0.005","13.158","0.004","23.575","0.007","90","","90","","90","","4632","3","296","2","296","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C18 H44 Mo6 N8 Na O34 P -","- C18 H30 Mo6 N8 Na O34 P -","- C72 H120 Mo24 N32 Na4 O136 P4 -","4","0.5","","Yang, Donghui; Liang, Yanfen; Ma, Pengtao; Li, Suzhi; Wang, Jingping; Niu, Jingyang","Self assembly of carboxylate/alcoholate functionalized ring-shape phosphomolybdates","CrystEngComm","2014","16","34","8041","","10.1039/C4CE00580E","","","0.71073","MoKα","","0.0356","0.0323","","","0.0852","0.0874","","","","","","1.058","","","","has coordinates,has disorder","180497","2020-10-21","18:00:00",""
"7216647","24.95","0.008","21.344","0.007","21.084","0.006","90","","120.51","0.006","90","","9673","5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H51 Mo6 N6 O36 P -","- C21 H18 Mo6 N6 O36 P -","- C168 H144 Mo48 N48 O288 P8 -","8","1","","Yang, Donghui; Liang, Yanfen; Ma, Pengtao; Li, Suzhi; Wang, Jingping; Niu, Jingyang","Self assembly of carboxylate/alcoholate functionalized ring-shape phosphomolybdates","CrystEngComm","2014","16","34","8041","","10.1039/C4CE00580E","","","0.71073","MoKα","","0.0698","0.0431","","","0.1046","0.121","","","","","","1.035","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216648","12.375","0.002","12.611","0.003","18.842","0.004","79.892","0.004","89.735","0.004","70.484","0.003","2723.9","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H49 Mo6 N5 O38 P -","- C21 H15 Mo6 N5 O38 P -","- C42 H30 Mo12 N10 O76 P2 -","2","1","","Yang, Donghui; Liang, Yanfen; Ma, Pengtao; Li, Suzhi; Wang, Jingping; Niu, Jingyang","Self assembly of carboxylate/alcoholate functionalized ring-shape phosphomolybdates","CrystEngComm","2014","16","34","8041","","10.1039/C4CE00580E","","","0.71073","MoKα","","0.0625","0.0504","","","0.1708","0.1794","","","","","","1.062","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216649","15.184","0.006","17.929","0.007","16.115","0.006","90","","117.472","0.006","90","","3892","3","296","2","296","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C12 H66 Mo12 N10 O60 P2 -","- C12 H12 Mo12 N10 O60 P2 -","- C24 H24 Mo24 N20 O120 P4 -","2","0.5","","Yang, Donghui; Liang, Yanfen; Ma, Pengtao; Li, Suzhi; Wang, Jingping; Niu, Jingyang","Self assembly of carboxylate/alcoholate functionalized ring-shape phosphomolybdates","CrystEngComm","2014","16","34","8041","","10.1039/C4CE00580E","","","0.71073","MoKα","","0.1559","0.1098","","","0.3193","0.3417","","","","","","1.043","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216650","18.1471","0.0018","26.828","0.003","19.2959","0.0019","90","","115.157","0.002","90","","8503.1","1.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H79 Mo12 N10 O60.5 P2 -","- C18 H24 Mo12 N10 O60.5 P2 -","- C72 H96 Mo48 N40 O242 P8 -","4","1","","Yang, Donghui; Liang, Yanfen; Ma, Pengtao; Li, Suzhi; Wang, Jingping; Niu, Jingyang","Self assembly of carboxylate/alcoholate functionalized ring-shape phosphomolybdates","CrystEngComm","2014","16","34","8041","","10.1039/C4CE00580E","","","0.71073","MoKα","","0.1712","0.0685","","","0.1587","0.188","","","","","","1.01","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216651","20.299","0.007","6.988","0.004","6.747","0.003","90","","99.2","0.04","90","","944.7","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","semicarbazide 5 metastable polymorph","N-(4-chlorobenzamide)urea","","- C8 H8 Cl N3 O2 -","- C8 H8 Cl N3 O2 -","- C32 H32 Cl4 N12 O8 -","4","1","","Centore, Roberto; Causà, Mauro; Cerciello, Francesca; Capone, Fabio; Fusco, Sandra","Orthogonal H-bonding synthons, actual and virtual structures in molecular crystals: a case study","CrystEngComm","2014","16","39","9168","","10.1039/C4CE00956H","","x-ray","0.71073","MoKα","","0.0837","0.0577","","","0.1254","0.1363","","","","","","1.121","","","","has coordinates,has disorder","180497","2020-10-21","18:00:00",""
"7216652","4.524","0.003","23.583","0.007","9.537","0.004","90","","108.39","0.02","90","","965.5","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(4-nitrophenylbenzamido)urea","","- C8 H8 N4 O4 -","- C8 H8 N4 O4 -","- C32 H32 N16 O16 -","4","1","","Centore, Roberto; Causà, Mauro; Cerciello, Francesca; Capone, Fabio; Fusco, Sandra","Orthogonal H-bonding synthons, actual and virtual structures in molecular crystals: a case study","CrystEngComm","2014","16","39","9168","","10.1039/C4CE00956H","","x-ray","0.71073","MoKα","","0.084","0.049","","","0.1047","0.121","","","","","","1.023","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216653","4.508","0.003","24.111","0.007","9.612","0.004","90","","105.38","0.03","90","","1007.3","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(4-cyanobenzamide)urea","","- C9 H8 N4 O2 -","- C9 H8 N4 O2 -","- C36 H32 N16 O8 -","4","1","","Centore, Roberto; Causà, Mauro; Cerciello, Francesca; Capone, Fabio; Fusco, Sandra","Orthogonal H-bonding synthons, actual and virtual structures in molecular crystals: a case study","CrystEngComm","2014","16","39","9168","","10.1039/C4CE00956H","","x-ray","0.71073","MoKα","","0.1524","0.0822","","","0.2468","0.2852","","","","","","1.09","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216654","4.513","0.002","20.038","0.007","9.619","0.005","90","","106.34","0.02","90","","834.7","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(isonicotinoamido)urea","","- C7 H8 N4 O2 -","- C7 H8 N4 O2 -","- C28 H32 N16 O8 -","4","1","","Centore, Roberto; Causà, Mauro; Cerciello, Francesca; Capone, Fabio; Fusco, Sandra","Orthogonal H-bonding synthons, actual and virtual structures in molecular crystals: a case study","CrystEngComm","2014","16","39","9168","","10.1039/C4CE00956H","","x-ray","0.71073","MoKα","","0.0932","0.0484","","","0.0967","0.111","","","","","","1.066","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216655","7.785","0.004","13.578","0.006","8.459","0.004","90","","99.74","0.02","90","","881.3","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(4-fluorobenzamide)urea","","- C8 H8 F N3 O2 -","- C8 H8 F N3 O2 -","- C32 H32 F4 N12 O8 -","4","1","","Centore, Roberto; Causà, Mauro; Cerciello, Francesca; Capone, Fabio; Fusco, Sandra","Orthogonal H-bonding synthons, actual and virtual structures in molecular crystals: a case study","CrystEngComm","2014","16","39","9168","","10.1039/C4CE00956H","","x-ray","0.71073","MoKα","","0.082","0.0623","","","0.2158","0.2268","","","","","","1.215","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216656","6.786","0.004","4.604","0.003","30.169","0.008","90","","90.76","0.03","90","","942.5","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(4-chlorobenzamide)urea","","- C8 H8 Cl N3 O2 -","- C8 H8 Cl N3 O2 -","- C32 H32 Cl4 N12 O8 -","4","1","","Centore, Roberto; Causà, Mauro; Cerciello, Francesca; Capone, Fabio; Fusco, Sandra","Orthogonal H-bonding synthons, actual and virtual structures in molecular crystals: a case study","CrystEngComm","2014","16","39","9168","","10.1039/C4CE00956H","","x-ray","0.71073","MoKα","","0.0878","0.0448","","","0.0931","0.1114","","","","","","0.983","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216657","12.972","0.0011","5.0426","0.0004","17.0878","0.0015","90","","92.47","0.004","90","","1116.72","0.16","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","TW-1-107 [2-(4-pyridyl)-imidazole]2, 1,4-diiodotetrafluorobenzene","","- C22 H14 F4 I2 N6 -","- C22 H14 F4 I2 N6 -","- C44 H28 F8 I4 N12 -","2","0.5","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Haj, Mohammad Abul; Desper, John; Moore, Curtis","The structural landscape of heteroaryl-2-imidazoles: competing halogen- and hydrogen-bond interactions","CrystEngComm","2014","16","31","7218","","10.1039/C4CE00803K","","","0.71073","MoKα","","0.0329","0.0256","","","0.0589","0.0622","","","","","","1.058","","","","has coordinates,has disorder","180497","2020-10-21","18:00:00",""
"7216658","12.3214","0.0007","8.9036","0.0005","9.8742","0.0006","90","","100.493","0.001","90","","1065.13","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 F4 I2 N6 -","- C18 H14 F4 I2 N6 -","- C36 H28 F8 I4 N12 -","2","0.5","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Haj, Mohammad Abul; Desper, John; Moore, Curtis","The structural landscape of heteroaryl-2-imidazoles: competing halogen- and hydrogen-bond interactions","CrystEngComm","2014","16","31","7218","","10.1039/C4CE00803K","","","0.71073","MoKα","","0.0224","0.0215","","","0.0564","0.057","","","","","","1.037","","","","has coordinates,has disorder","180497","2020-10-21","18:00:00",""
"7216659","14.35","0.0009","8.7642","0.0005","9.9637","0.0006","90","","106.551","0.002","90","","1201.18","0.13","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","TW-2-07 [2-(3-pyridyl)-imidazole]2, I-(CF2)4-I","","- C20 H14 F8 I2 N6 -","- C20 H14 F8 I2 N6 -","- C40 H28 F16 I4 N12 -","2","0.5","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Haj, Mohammad Abul; Desper, John; Moore, Curtis","The structural landscape of heteroaryl-2-imidazoles: competing halogen- and hydrogen-bond interactions","CrystEngComm","2014","16","31","7218","","10.1039/C4CE00803K","","","0.71073","MoKα","","0.0321","0.0284","","","0.0626","0.0639","","","","","","1.11","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216660","10.0009","0.0013","28.964","0.004","4.1036","0.0006","90","","100.997","0.002","90","","1166.8","0.3","100","2","100","2","","","","","","","","5","C 1 m 1","C -2y","8","","","","- C22 H14 F4 I2 N6 -","- C22 H14 F4 I2 N6 -","- C44 H28 F8 I4 N12 -","2","0.5","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Haj, Mohammad Abul; Desper, John; Moore, Curtis","The structural landscape of heteroaryl-2-imidazoles: competing halogen- and hydrogen-bond interactions","CrystEngComm","2014","16","31","7218","","10.1039/C4CE00803K","","","0.71073","MoKα","","0.0221","0.0203","","","0.0462","0.047","","","","","","1.024","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7216661","4.1462","0.0003","27.9646","0.0017","9.9124","0.0006","90","","100.094","0.002","90","","1131.52","0.13","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","TW-2-27 [2-(3-pyridyl)-imidazole]2, 1,4-diiodotetrafluorobenzene","","- C22 H14 F4 I2 N6 -","- C22 H14 F4 I2 N6 -","- C44 H28 F8 I4 N12 -","2","0.5","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Haj, Mohammad Abul; Desper, John; Moore, Curtis","The structural landscape of heteroaryl-2-imidazoles: competing halogen- and hydrogen-bond interactions","CrystEngComm","2014","16","31","7218","","10.1039/C4CE00803K","","","0.71073","MoKα","","0.0301","0.0254","","","0.0586","0.0607","","","","","","1.022","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216662","32.4147","0.0016","9.9354","0.0005","7.4776","0.0004","90","","90","","90","","2408.2","0.2","120","2","120","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","TW-1-57 [2-(3-pyridyl)-imidazole]2, 1,3,5-F3-2,4,6-I3-benzene","","- C22 H14 F3 I3 N6 -","- C22 H14 F3 I3 N6 -","- C88 H56 F12 I12 N24 -","4","0.5","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Haj, Mohammad Abul; Desper, John; Moore, Curtis","The structural landscape of heteroaryl-2-imidazoles: competing halogen- and hydrogen-bond interactions","CrystEngComm","2014","16","31","7218","","10.1039/C4CE00803K","","","0.71073","MoKα","","0.042","0.0343","","","0.0781","0.0805","","","","","","1.157","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216663","4.2333","0.0003","32.768","0.002","9.9627","0.0008","90","","93.76","0.001","90","","1379.02","0.17","120","2","120","2","","","","","","","","5","P 1 c 1","P -2yc","7","","TW-1-67 [2-(3-pyridyl)-imidazole], 4,4'-diiodo-F8-biphenyl","","- C28 H14 F8 I2 N6 -","- C28 H14 F8 I2 N6 -","- C56 H28 F16 I4 N12 -","2","1","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Haj, Mohammad Abul; Desper, John; Moore, Curtis","The structural landscape of heteroaryl-2-imidazoles: competing halogen- and hydrogen-bond interactions","CrystEngComm","2014","16","31","7218","","10.1039/C4CE00803K","","","0.71073","MoKα","","0.0216","0.0205","","","0.0475","0.048","","","","","","1.027","","","","has coordinates,has disorder","180497","2020-10-21","18:00:00",""
"7216664","4.0019","0.0011","28.546","0.008","9.972","0.003","90","","98.464","0.008","90","","1126.8","0.6","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","TW-1-47 [2-(3-pyridyl)-imidazole]2, 1-bromo-4-iodotetrafluorobenzene","","- C22 H14 Br F4 I N6 -","- C22 H14 Br F4 I N6 -","- C44 H28 Br2 F8 I2 N12 -","2","0.5","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Haj, Mohammad Abul; Desper, John; Moore, Curtis","The structural landscape of heteroaryl-2-imidazoles: competing halogen- and hydrogen-bond interactions","CrystEngComm","2014","16","31","7218","","10.1039/C4CE00803K","","","0.71073","MoKα","","0.1276","0.1103","","","0.2375","0.2432","","","","","","1.348","","","","has coordinates,has disorder","180497","2020-10-21","18:00:00",""
"7216665","5.1393","0.0006","11.0259","0.0012","15.2795","0.0017","92.084","0.003","91.221","0.003","100.093","0.003","851.52","0.17","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","TW-2-13 [2-(2-pyridyl)-imidazole]3, I-(CF2)6-I","","- C30 H21 F12 I2 N9 -","- C30 H21 F12 I2 N9 -","- C30 H21 F12 I2 N9 -","1","0.5","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Haj, Mohammad Abul; Desper, John; Moore, Curtis","The structural landscape of heteroaryl-2-imidazoles: competing halogen- and hydrogen-bond interactions","CrystEngComm","2014","16","31","7218","","10.1039/C4CE00803K","","","1.54178","CuKα","","0.0391","0.0368","","","0.1201","0.1302","","","","","","1.257","","","","has coordinates,has disorder","180497","2020-10-21","18:00:00",""
"7216666","9.392","0.0005","10.5244","0.0006","17.4011","0.001","106.841","0.002","92.19","0.002","106.005","0.002","1569.34","0.15","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","TW-1-R38 2-(2-pyridyl)-imidazole, 1,4-diiodotetrafluorobenzene","","- C14 H7 F4 I2 N3 -","- C14 H7 F4 I2 N3 -","- C56 H28 F16 I8 N12 -","4","2","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Haj, Mohammad Abul; Desper, John; Moore, Curtis","The structural landscape of heteroaryl-2-imidazoles: competing halogen- and hydrogen-bond interactions","CrystEngComm","2014","16","31","7218","","10.1039/C4CE00803K","","","0.71073","MoKα","","0.0321","0.027","","","0.0654","0.0688","","","","","","1.056","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216667","24.4359","0.0012","7.2667","0.0004","16.3695","0.0008","90","","109.713","0.001","90","","2736.4","0.2","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","TW-1-68 [2-(2-pyridyl)-imidazole]2, 4,4'-diiodo-F8-biphenyl","","- C28 H14 F8 I2 N6 -","- C28 H14 F8 I2 N6 -","- C112 H56 F32 I8 N24 -","4","0.5","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Haj, Mohammad Abul; Desper, John; Moore, Curtis","The structural landscape of heteroaryl-2-imidazoles: competing halogen- and hydrogen-bond interactions","CrystEngComm","2014","16","31","7218","","10.1039/C4CE00803K","","","0.71073","MoKα","","0.0251","0.0231","","","0.0559","0.057","","","","","","1.029","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216668","6.1488","0.0007","6.3967","0.0007","15.8942","0.0019","81.861","0.004","85.95","0.004","72.388","0.003","589.59","0.12","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","TW-2-09 2-(2-pyrazinyl)-imidazole, I-(CF2)4-I","","- C18 H12 F8 I2 N8 -","- C18 H12 F8 I2 N8 -","- C18 H12 F8 I2 N8 -","1","0.5","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Haj, Mohammad Abul; Desper, John; Moore, Curtis","The structural landscape of heteroaryl-2-imidazoles: competing halogen- and hydrogen-bond interactions","CrystEngComm","2014","16","31","7218","","10.1039/C4CE00803K","","","0.71073","MoKα","","0.049","0.0314","","","0.1023","0.1144","","","","","","1.14","","","","has coordinates,has disorder","180497","2020-10-21","18:00:00",""
"7216669","11.0717","0.0006","10.625","0.0006","10.1858","0.0006","90","","108.814","0.002","90","","1134.2","0.11","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","TW-1-M1 2-(2-pyrazinyl)-imidazole, 1,4-diiodotetrafluorobenzene, I-(CF2)4-I","","- C20 H12 F4 I2 N8 -","- C20 H12 F4 I2 N8 -","- C40 H24 F8 I4 N16 -","2","0.5","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Haj, Mohammad Abul; Desper, John; Moore, Curtis","The structural landscape of heteroaryl-2-imidazoles: competing halogen- and hydrogen-bond interactions","CrystEngComm","2014","16","31","7218","","10.1039/C4CE00803K","","","0.71073","MoKα","","0.0249","0.0219","","","0.058","0.0595","","","","","","1.077","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216670","33.0655","0.0016","9.8284","0.0005","7.3176","0.0003","90","","90","","90","","2378.08","0.19","120","2","120","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","TW-1-59 [2-(2-pyrazinyl)-imidazole]2, 1,3,5-F3-2,4,6-I3-benzene","","- C20 H12 F3 I3 N8 -","- C20 H12 F2.5 I3 N8 -","- C80 H48 F10 I12 N32 -","4","0.5","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Haj, Mohammad Abul; Desper, John; Moore, Curtis","The structural landscape of heteroaryl-2-imidazoles: competing halogen- and hydrogen-bond interactions","CrystEngComm","2014","16","31","7218","","10.1039/C4CE00803K","","","0.71073","MoKα","","0.0269","0.0212","","","0.046","0.048","","","","","","1.046","","","","has coordinates,has disorder","180497","2020-10-21","18:00:00",""
"7216671","7.6527","0.0004","12.7331","0.0007","15.4446","0.0009","67.32","0.001","88.558","0.002","81.616","0.001","1372.95","0.13","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","TW-1-69 [2-(2-pyrazinyl)-imidazole]2, 4,4'-diiodo-F8-biphenyl","","- C26 H12 F8 I2 N8 -","- C26 H12 F8 I2 N8 -","- C52 H24 F16 I4 N16 -","2","1","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Haj, Mohammad Abul; Desper, John; Moore, Curtis","The structural landscape of heteroaryl-2-imidazoles: competing halogen- and hydrogen-bond interactions","CrystEngComm","2014","16","31","7218","","10.1039/C4CE00803K","","","0.71073","MoKα","","0.0234","0.021","","","0.0505","0.0516","","","","","","1.041","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216672","18.175","0.003","8.3359","0.0014","20.6","0.004","90","","91.868","0.003","90","","3119.3","1","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C8 H5 K La N4 O10.5 S2 -","- C8 H5 K La N4 O10.5 S2 -","- C64 H40 K8 La8 N32 O84 S16 -","8","1","","Zhao, Tingting; Zhang, Lirong; Wang, Dongmei; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Rational design and synthesis of a series of 3D lanthanide metal‒organic frameworks with different structures driven by reaction conditions","CrystEngComm","2014","16","44","10181","","10.1039/C4CE00858H","","","0.71073","MoKα","","0.0253","0.021","","","0.0499","0.0526","","","","","","1.045","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216673","18.1735","0.0007","8.3436","0.0003","20.5557","0.0008","90","","91.699","0.001","90","","3115.5","0.2","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C8 H5 Ce K N4 O10.5 S2 -","- C8 H5 Ce K N4 O10.5 S2 -","- C64 H40 Ce8 K8 N32 O84 S16 -","8","1","","Zhao, Tingting; Zhang, Lirong; Wang, Dongmei; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Rational design and synthesis of a series of 3D lanthanide metal‒organic frameworks with different structures driven by reaction conditions","CrystEngComm","2014","16","44","10181","","10.1039/C4CE00858H","","","0.71073","MoKα","","0.021","0.0187","","","0.0475","0.0494","","","","","","1.089","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216674","18.1389","0.0014","8.3629","0.0006","20.4829","0.0015","90","","91.505","0.001","90","","3106.1","0.4","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C8 H5 K N4 O10.5 Pr S2 -","- C8 H5 K N4 O10.5 Pr S2 -","- C64 H40 K8 N32 O84 Pr8 S16 -","8","1","","Zhao, Tingting; Zhang, Lirong; Wang, Dongmei; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Rational design and synthesis of a series of 3D lanthanide metal‒organic frameworks with different structures driven by reaction conditions","CrystEngComm","2014","16","44","10181","","10.1039/C4CE00858H","","","0.71073","MoKα","","0.0226","0.0196","","","0.043","0.0446","","","","","","1.053","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216675","18.077","0.004","8.3675","0.0017","20.38","0.004","90","","91.14","0.03","90","","3082.1","1.1","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C8 H5 K N4 Nd O10.5 S2 -","- C8 H5 K N4 Nd O10.5 S2 -","- C64 H40 K8 N32 Nd8 O84 S16 -","8","1","","Zhao, Tingting; Zhang, Lirong; Wang, Dongmei; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Rational design and synthesis of a series of 3D lanthanide metal‒organic frameworks with different structures driven by reaction conditions","CrystEngComm","2014","16","44","10181","","10.1039/C4CE00858H","","","0.71073","MoKα","","0.0309","0.0227","","","0.0437","0.0464","","","","","","1.042","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216676","18.031","0.0018","8.3836","0.0008","20.254","0.002","90","","90.938","0.001","90","","3061.3","0.5","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C8 H5 K N4 O10.5 S2 Sm -","- C8 H5 K N4 O10.5 S2 Sm -","- C64 H40 K8 N32 O84 S16 Sm8 -","8","1","","Zhao, Tingting; Zhang, Lirong; Wang, Dongmei; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Rational design and synthesis of a series of 3D lanthanide metal‒organic frameworks with different structures driven by reaction conditions","CrystEngComm","2014","16","44","10181","","10.1039/C4CE00858H","","","0.71073","MoKα","","0.0299","0.028","","","0.0645","0.0652","","","","","","1.258","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216677","18.017","0.007","8.423","0.004","20.231","0.008","90","","90.709","0.006","90","","3070","2","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C8 H5 Eu K N4 O10.5 S2 -","- C8 H5 Eu K N4 O10.5 S2 -","- C64 H40 Eu8 K8 N32 O84 S16 -","8","1","","Zhao, Tingting; Zhang, Lirong; Wang, Dongmei; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Rational design and synthesis of a series of 3D lanthanide metal‒organic frameworks with different structures driven by reaction conditions","CrystEngComm","2014","16","44","10181","","10.1039/C4CE00858H","","","0.71073","MoKα","","0.0212","0.0193","","","0.0452","0.0463","","","","","","1.064","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216678","17.9598","0.0011","8.3889","0.0005","20.1191","0.0013","90","","90.639","0.001","90","","3031","0.3","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C8 H5 Gd K N4 O10.5 S2 -","- C8 H5 Gd K N4 O10.5 S2 -","- C64 H40 Gd8 K8 N32 O84 S16 -","8","1","","Zhao, Tingting; Zhang, Lirong; Wang, Dongmei; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Rational design and synthesis of a series of 3D lanthanide metal‒organic frameworks with different structures driven by reaction conditions","CrystEngComm","2014","16","44","10181","","10.1039/C4CE00858H","","","0.71073","MoKα","","0.0198","0.0181","","","0.042","0.0428","","","","","","1.038","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216679","17.9851","0.0018","8.41","0.0008","20.1083","0.0019","90","","90.563","0.002","90","","3041.3","0.5","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C8 H5 K N4 O10.5 S2 Tb -","- C8 H5 K N4 O10.5 S2 Tb -","- C64 H40 K8 N32 O84 S16 Tb8 -","8","1","","Zhao, Tingting; Zhang, Lirong; Wang, Dongmei; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Rational design and synthesis of a series of 3D lanthanide metal‒organic frameworks with different structures driven by reaction conditions","CrystEngComm","2014","16","44","10181","","10.1039/C4CE00858H","","","0.71073","MoKα","","0.0199","0.019","","","0.0455","0.0461","","","","","","1.083","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216680","8.2691","0.0006","10.3254","0.0007","10.9614","0.0012","102.769","0.001","109.274","0.001","111.52","0.001","756.93","0.11","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H14 K2 La2 N4 O21 S2 -","- C16 H12 K2 La2 N4 O21 S2 -","- C16 H12 K2 La2 N4 O21 S2 -","1","0.5","","Zhao, Tingting; Zhang, Lirong; Wang, Dongmei; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Rational design and synthesis of a series of 3D lanthanide metal‒organic frameworks with different structures driven by reaction conditions","CrystEngComm","2014","16","44","10181","","10.1039/C4CE00858H","","","0.71073","MoKα","","0.0261","0.0234","","","0.0622","0.0637","","","","","","1.092","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216681","8.2471","0.0012","10.2753","0.0014","10.915","0.002","102.534","0.003","109.195","0.003","112.16","0.002","745","0.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H14 Ce2 K2 N4 O21 S2 -","- C16 H12 Ce2 K2 N4 O21 S2 -","- C16 H12 Ce2 K2 N4 O21 S2 -","1","0.5","","Zhao, Tingting; Zhang, Lirong; Wang, Dongmei; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Rational design and synthesis of a series of 3D lanthanide metal‒organic frameworks with different structures driven by reaction conditions","CrystEngComm","2014","16","44","10181","","10.1039/C4CE00858H","","","0.71073","MoKα","","0.0444","0.0384","","","0.0814","0.0852","","","","","","1.048","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216682","7.0404","0.0003","13.0015","0.0006","13.7338","0.0006","90","","100.881","0.001","90","","1234.53","0.09","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H4 La2 N6 O14 S3 -","- C12 La2 N6 O14 S3 -","- C24 La4 N12 O28 S6 -","2","1","","Zhao, Tingting; Zhang, Lirong; Wang, Dongmei; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Rational design and synthesis of a series of 3D lanthanide metal‒organic frameworks with different structures driven by reaction conditions","CrystEngComm","2014","16","44","10181","","10.1039/C4CE00858H","","","0.71073","MoKα","","0.0283","0.0279","","","0.0908","0.091","","","","","","1.102","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216683","6.975","0.005","12.901","0.008","13.551","0.009","90","","100.729","0.011","90","","1198.1","1.4","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H4 Ce2 N6 O14 S3 -","- C12 Ce2 N6 O14 S3 -","- C24 Ce4 N12 O28 S6 -","2","1","","Zhao, Tingting; Zhang, Lirong; Wang, Dongmei; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Rational design and synthesis of a series of 3D lanthanide metal‒organic frameworks with different structures driven by reaction conditions","CrystEngComm","2014","16","44","10181","","10.1039/C4CE00858H","","","0.71073","MoKα","","0.0766","0.0718","","","0.1759","0.1796","","","","","","1.007","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216684","18.7481","0.0018","20.0714","0.0019","32.865","0.003","90","","98.535","0.001","90","","12230","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C155 H111 Co10 N9 O43 -","- C155 H95 Co10 N9 O43 -","- C310 H190 Co20 N18 O86 -","2","0.5","","Ding, Tao; Ren, Li-Di; Du, Xiao-Di; Quan, Li; Gao, Zi-Wei; Zhang, Wei-Qiang; Zheng, Chang-Zheng","Six new coordination polymers based on a tritopic pyridyldicarboxylate ligand: structural, magnetic and sorption properties","CrystEngComm","2014","16","33","7790","","10.1039/C4CE00890A","","","0.71073","MoKα","","0.1164","0.064","","","0.1975","0.2584","","","","","","1.093","","","","has coordinates,has disorder","180497","2020-10-21","18:00:00",""
"7216685","22.476","0.005","7.706","0.0018","22.255","0.005","90","","102.056","0.011","90","","3769.6","1.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H28 Co3 N2 O14 -","- C40 H24 Co3 N2 O14 -","- C160 H96 Co12 N8 O56 -","4","0.5","","Ding, Tao; Ren, Li-Di; Du, Xiao-Di; Quan, Li; Gao, Zi-Wei; Zhang, Wei-Qiang; Zheng, Chang-Zheng","Six new coordination polymers based on a tritopic pyridyldicarboxylate ligand: structural, magnetic and sorption properties","CrystEngComm","2014","16","33","7790","","10.1039/C4CE00890A","","","0.71073","MoKα","","0.0315","0.0288","","","0.0798","0.0817","","","","","","1.063","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216686","17.343","0.017","15.231","0.015","8.426","0.012","90","","117.09","0.02","90","","1982","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H18 N2 O5 Zn -","- C19 H11 N O4 Zn -","- C76 H44 N4 O16 Zn4 -","4","0.5","","Ding, Tao; Ren, Li-Di; Du, Xiao-Di; Quan, Li; Gao, Zi-Wei; Zhang, Wei-Qiang; Zheng, Chang-Zheng","Six new coordination polymers based on a tritopic pyridyldicarboxylate ligand: structural, magnetic and sorption properties","CrystEngComm","2014","16","33","7790","","10.1039/C4CE00890A","","","0.71073","MoKα","","0.0404","0.0366","","","0.107","0.1088","","","","","","1.152","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216687","9.69","0.003","11.998","0.004","19.891","0.007","96.548","0.004","99.122","0.004","113.712","0.004","2049.7","1.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H36 Co2 N4 O12 -","- C38 H22 Co2 N2 O10 -","- C76 H44 Co4 N4 O20 -","2","1","","Ding, Tao; Ren, Li-Di; Du, Xiao-Di; Quan, Li; Gao, Zi-Wei; Zhang, Wei-Qiang; Zheng, Chang-Zheng","Six new coordination polymers based on a tritopic pyridyldicarboxylate ligand: structural, magnetic and sorption properties","CrystEngComm","2014","16","33","7790","","10.1039/C4CE00890A","","","0.71073","MoKα","","0.0571","0.051","","","0.1576","0.166","","","","","","1.129","","","","has coordinates,has disorder","180497","2020-10-21","18:00:00",""
"7216688","9.6769","0.0017","10.0627","0.0018","12.108","0.002","72.146","0.002","66.911","0.002","74.995","0.002","1019.3","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 Mn N2 O6 -","- C22 H18 Mn N2 O6 -","- C44 H36 Mn2 N4 O12 -","2","1","","Ding, Tao; Ren, Li-Di; Du, Xiao-Di; Quan, Li; Gao, Zi-Wei; Zhang, Wei-Qiang; Zheng, Chang-Zheng","Six new coordination polymers based on a tritopic pyridyldicarboxylate ligand: structural, magnetic and sorption properties","CrystEngComm","2014","16","33","7790","","10.1039/C4CE00890A","","","0.71073","MoKα","","0.0796","0.06","","","0.1709","0.203","","","","","","1.122","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216689","10.469","0.01","10.611","0.011","11.429","0.011","89.177","0.014","65.827","0.013","66.661","0.013","1046.8","1.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 Co N2 O5 -","- C22 H18 Co N2 O5 -","- C44 H36 Co2 N4 O10 -","2","1","","Ding, Tao; Ren, Li-Di; Du, Xiao-Di; Quan, Li; Gao, Zi-Wei; Zhang, Wei-Qiang; Zheng, Chang-Zheng","Six new coordination polymers based on a tritopic pyridyldicarboxylate ligand: structural, magnetic and sorption properties","CrystEngComm","2014","16","33","7790","","10.1039/C4CE00890A","","","0.71073","MoKα","","0.0727","0.064","","","0.1829","0.1916","","","","","","1.041","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216690","10.0616","0.0008","12.9846","0.0011","13.0016","0.0011","75.44","0.002","78.837","0.002","83.287","0.002","1608.8","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H34 Cu3 N16 O20 -","- C48 H34 Cu3 N16 O20 -","- C48 H34 Cu3 N16 O20 -","1","0.5","","Chen, Jin-Xiang; Zhao, Hai-Qing; Li, Huan-Huan; Huang, Sheng-Li; Ding, Ni-Ni; Chen, Wen-Hua; Young, David J.; Zhang, Wen-Hua; Andy Hor, T. S.","Bent tritopic carboxylates for coordination networks: clues to the origin of self-penetration","CrystEngComm","2014","16","33","7722","","10.1039/C4CE00830H","","","0.71073","MoKα","","0.0836","0.0771","","","0.2283","0.2358","","","","","","1.098","","","","has coordinates,has disorder","180497","2020-10-21","18:00:00",""
"7216691","7.1089","0.0014","13.125","0.003","13.376","0.003","93.524","0.003","93.563","0.003","99.823","0.004","1224.1","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 Cu N3 O12 -","- C21 H27 Cu N3 O12 -","- C42 H54 Cu2 N6 O24 -","2","1","","Chen, Jin-Xiang; Zhao, Hai-Qing; Li, Huan-Huan; Huang, Sheng-Li; Ding, Ni-Ni; Chen, Wen-Hua; Young, David J.; Zhang, Wen-Hua; Andy Hor, T. S.","Bent tritopic carboxylates for coordination networks: clues to the origin of self-penetration","CrystEngComm","2014","16","33","7722","","10.1039/C4CE00830H","","","0.71073","MoKα","","0.0364","0.0335","","","0.0901","0.0923","","","","","","1.031","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216692","13.9922","0.0013","15.9422","0.0015","16.2434","0.0015","70.832","0.002","69.321","0.002","88.235","0.002","3187.1","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C105 H69 Cu3 N17 O32 -","- C105 H69 Cu3 N17 O32 -","- C105 H69 Cu3 N17 O32 -","1","0.5","","Chen, Jin-Xiang; Zhao, Hai-Qing; Li, Huan-Huan; Huang, Sheng-Li; Ding, Ni-Ni; Chen, Wen-Hua; Young, David J.; Zhang, Wen-Hua; Andy Hor, T. S.","Bent tritopic carboxylates for coordination networks: clues to the origin of self-penetration","CrystEngComm","2014","16","33","7722","","10.1039/C4CE00830H","","","0.71073","MoKα","","0.0896","0.0737","","","0.2108","0.2254","","","","","","1.069","","","","has coordinates,has disorder","180497","2020-10-21","18:00:00",""
"7216693","30.925","0.003","13.245","0.0011","19.2577","0.0015","90","","106.047","0.002","90","","7580.6","1.1","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C66 H48 Cu3 N10 O21 -","- C66 H48 Cu3 N10 O21 -","- C264 H192 Cu12 N40 O84 -","4","0.5","","Chen, Jin-Xiang; Zhao, Hai-Qing; Li, Huan-Huan; Huang, Sheng-Li; Ding, Ni-Ni; Chen, Wen-Hua; Young, David J.; Zhang, Wen-Hua; Andy Hor, T. S.","Bent tritopic carboxylates for coordination networks: clues to the origin of self-penetration","CrystEngComm","2014","16","33","7722","","10.1039/C4CE00830H","","","0.71073","MoKα","","0.1","0.0787","","","0.2443","0.2613","","","","","","1.062","","","","has coordinates,has disorder","180497","2020-10-21","18:00:00",""
"7216702","22.267","0.003","22.267","0.003","23.162","0.003","90","","90","","90","","11484","3","298","2","298","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C40 H48 Cu4 I4 N16 O10 -","- C40 H48 Cu4 I4 N16 O10 -","- C320 H384 Cu32 I32 N128 O80 -","8","0.5","","Hong, Xu-Jia; Liu, Xiang; Zhang, Jing-Bo; Lin, Chu-Ling; Wu, Xiao; Ou, Yan-Jun; Yang, Jian; Jin, Hong-Guang; Cai, Yue-Peng","Two low-dimensional Schiff base copper(i/ii) complexes: synthesis, characterization and catalytic activity for degradation of organic dyes","CrystEngComm","2014","16","34","7926","","10.1039/C4CE01207K","","","0.71073","MoKα","","0.1293","0.0591","","","0.1323","0.1712","","","","","","1.012","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216703","16.408","0.005","23.207","0.007","16.67","0.005","90","","98.473","0.005","90","","6278","3","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H47 Cu6 I6 N17 O8 -","- C42 H47 Cu6 I6 N17 O8 -","- C168 H188 Cu24 I24 N68 O32 -","4","1","","Hong, Xu-Jia; Liu, Xiang; Zhang, Jing-Bo; Lin, Chu-Ling; Wu, Xiao; Ou, Yan-Jun; Yang, Jian; Jin, Hong-Guang; Cai, Yue-Peng","Two low-dimensional Schiff base copper(i/ii) complexes: synthesis, characterization and catalytic activity for degradation of organic dyes","CrystEngComm","2014","16","34","7926","","10.1039/C4CE01207K","","","0.71073","MoKα","","0.1358","0.0589","","","0.1398","0.1799","","","","","","1.002","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7216704","11.541","0.003","13.901","0.003","20.769","0.004","91.178","0.003","90.148","0.003","107.497","0.003","3177","1.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H106 Cu10 I10 N36 O17 -","- C88 H104 Cu10 I10 N36 O17 -","- C88 H104 Cu10 I10 N36 O17 -","1","0.5","","Hong, Xu-Jia; Liu, Xiang; Zhang, Jing-Bo; Lin, Chu-Ling; Wu, Xiao; Ou, Yan-Jun; Yang, Jian; Jin, Hong-Guang; Cai, Yue-Peng","Two low-dimensional Schiff base copper(i/ii) complexes: synthesis, characterization and catalytic activity for degradation of organic dyes","CrystEngComm","2014","16","34","7926","","10.1039/C4CE01207K","","","0.71073","MoKα","","0.108","0.0655","","","0.2214","0.2463","","","","","","0.989","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216705","14.999","0.003","4.603","0.0009","16.068","0.003","90","","108.53","0.03","90","","1051.8","0.4","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Urea : 4,4'bipyridine Form I","","","- C11 H12 N4 O -","- C11 H12 N4 O -","- C44 H48 N16 O4 -","4","0.5","","Tothadi, Srinu","Polymorphism in cocrystals of urea:4,4′-bipyridine and salicylic acid:4,4′-bipyridine","CrystEngComm","2014","16","32","7587","","10.1039/C4CE00866A","","","0.71073","MoKα","","0.0481","0.0408","","","0.1373","0.1566","","","","","","1.254","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216706","25.07","0.004","9.1849","0.0015","4.5943","0.0008","90","","90","","90","","1057.9","0.3","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","Urea : 4,4'bipyridine Form II","","","- C11 H12 N4 O -","- C11 H12 N4 O -","- C44 H48 N16 O4 -","4","0.5","","Tothadi, Srinu","Polymorphism in cocrystals of urea:4,4′-bipyridine and salicylic acid:4,4′-bipyridine","CrystEngComm","2014","16","32","7587","","10.1039/C4CE00866A","","","0.71073","MoKα","","0.064","0.0513","","","0.131","0.1371","","","","","","1.141","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216707","7.86","0.008","8.308","0.008","8.547","0.008","87.812","0.014","82.149","0.003","65.9","0.014","504.6","0.9","150","2","150","2","","","","","","","","4","P -1","-P 1","2","salicylic acid:4,4'-bipyridine Form I","","","- C24 H20 N2 O6 -","- C24 H20 N2 O6 -","- C24 H20 N2 O6 -","1","0.5","","Tothadi, Srinu","Polymorphism in cocrystals of urea:4,4′-bipyridine and salicylic acid:4,4′-bipyridine","CrystEngComm","2014","16","32","7587","","10.1039/C4CE00866A","","","0.71073","MoKα","","0.0483","0.0442","","","0.1194","0.1228","","","","","","1.077","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216708","9.92","0.009","4.919","0.004","23.046","0.018","90","","114.28","0.03","90","","1025.1","1.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","salicylic acid:4,4'-bipyridine Form II","","","- C24 H20 N2 O6 -","- C24 H20 N2 O6 -","- C48 H40 N4 O12 -","2","0.5","","Tothadi, Srinu","Polymorphism in cocrystals of urea:4,4′-bipyridine and salicylic acid:4,4′-bipyridine","CrystEngComm","2014","16","32","7587","","10.1039/C4CE00866A","","","0.71073","MoKα","","0.0696","0.0582","","","0.1461","0.166","","","","","","1.06","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216709","7.1","0.005","23.968","0.005","10.935","0.005","90","","103.945","0.005","90","","1806","1.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Dinitro-(3,3-diamino-N-methyldipropylamine)nickel(II)","","- C7 H19 N5 Ni O4 -","- C7 H19 N5 Ni O4 -","- C42 H114 N30 Ni6 O24 -","6","3","","Hatcher, Lauren E.; Bigos, Edward J.; Bryant, Mathew J.; MacCready, Emily M.; Robinson, Thomas P.; Saunders, Lucy K.; Thomas, Lynne H.; Beavers, Christine M.; Teat, Simon J.; Christensen, Jeppe; Raithby, Paul R.","Thermal and photochemical control of nitro‒nitrito linkage isomerism in single-crystals of [Ni(medpt)(NO2)(η2-ONO)]","CrystEngComm","2014","16","35","8263","","10.1039/C4CE00675E","","","0.71073","MoKα","","0.0406","0.0328","","","0.0731","0.0753","","","","","","1.009","","","","has coordinates,has disorder","180498","2020-10-21","18:00:00",""
"7216710","7.119","0.005","23.688","0.005","10.909","0.005","90","","103.36","0.005","90","","1789.9","1.5","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Dinitro-(3,3-diamino-N-methyldipropylamine)nickel(II)","","- C7 H19 N5 Ni O4 -","- C7 H19.3333 N5 Ni O4 -","- C42 H116 N30 Ni6 O24 -","6","1.5","","Hatcher, Lauren E.; Bigos, Edward J.; Bryant, Mathew J.; MacCready, Emily M.; Robinson, Thomas P.; Saunders, Lucy K.; Thomas, Lynne H.; Beavers, Christine M.; Teat, Simon J.; Christensen, Jeppe; Raithby, Paul R.","Thermal and photochemical control of nitro‒nitrito linkage isomerism in single-crystals of [Ni(medpt)(NO2)(η2-ONO)]","CrystEngComm","2014","16","35","8263","","10.1039/C4CE00675E","","","0.71073","MoKα","","0.032","0.0251","","","0.0575","0.0607","","","","","","1.017","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216711","7.146","0.005","23.684","0.005","10.944","0.005","90","","103.455","0.005","90","","1801.4","1.6","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Dinitro-(3,3-diamino-N-methyldipropylamine)nickel(II)","","- C7 H19 N5 Ni O4 -","- C7 H19.3333 N5 Ni O4 -","- C42 H116 N30 Ni6 O24 -","6","1.5","","Hatcher, Lauren E.; Bigos, Edward J.; Bryant, Mathew J.; MacCready, Emily M.; Robinson, Thomas P.; Saunders, Lucy K.; Thomas, Lynne H.; Beavers, Christine M.; Teat, Simon J.; Christensen, Jeppe; Raithby, Paul R.","Thermal and photochemical control of nitro‒nitrito linkage isomerism in single-crystals of [Ni(medpt)(NO2)(η2-ONO)]","CrystEngComm","2014","16","35","8263","","10.1039/C4CE00675E","","","0.71073","MoKα","","0.0334","0.0252","","","0.0585","0.0624","","","","","","1.025","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216712","7.17","0.005","23.69","0.005","10.982","0.005","90","","103.569","0.005","90","","1813.3","1.6","200","2","200","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Dinitro-(3,3-diamino-N-methyldipropylamine)nickel(II)","","- C7 H19 N5 Ni O4 -","- C7 H19.3333 N5 Ni O4 -","- C42 H116 N30 Ni6 O24 -","6","1.5","","Hatcher, Lauren E.; Bigos, Edward J.; Bryant, Mathew J.; MacCready, Emily M.; Robinson, Thomas P.; Saunders, Lucy K.; Thomas, Lynne H.; Beavers, Christine M.; Teat, Simon J.; Christensen, Jeppe; Raithby, Paul R.","Thermal and photochemical control of nitro‒nitrito linkage isomerism in single-crystals of [Ni(medpt)(NO2)(η2-ONO)]","CrystEngComm","2014","16","35","8263","","10.1039/C4CE00675E","","","0.71073","MoKα","","0.0345","0.0249","","","0.0569","0.0614","","","","","","1.039","","","","has coordinates,has disorder","180498","2020-10-21","18:00:00",""
"7216713","7.202","0.005","23.718","0.005","11.025","0.005","90","","103.746","0.005","90","","1829.3","1.6","250","2","250","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Dinitro-(3,3-diamino-N-methyldipropylamine)nickel(II)","","- C7 H19 N5 Ni O4 -","- C7 H19.3333 N5 Ni O4 -","- C42 H116 N30 Ni6 O24 -","6","1.5","","Hatcher, Lauren E.; Bigos, Edward J.; Bryant, Mathew J.; MacCready, Emily M.; Robinson, Thomas P.; Saunders, Lucy K.; Thomas, Lynne H.; Beavers, Christine M.; Teat, Simon J.; Christensen, Jeppe; Raithby, Paul R.","Thermal and photochemical control of nitro‒nitrito linkage isomerism in single-crystals of [Ni(medpt)(NO2)(η2-ONO)]","CrystEngComm","2014","16","35","8263","","10.1039/C4CE00675E","","","0.71073","MoKα","","0.0409","0.0278","","","0.0609","0.0666","","","","","","1.023","","","","has coordinates,has disorder","180498","2020-10-21","18:00:00",""
"7216714","7.235","0.005","23.768","0.005","11.072","0.005","90","","103.92","0.005","90","","1848","1.6","298","2","298","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Dinitro-(3,3-diamino-N-methyldipropylamine)nickel(II)","","- C7 H19 N5 Ni O4 -","- C7 H19.3333 N5 Ni O4 -","- C42 H116 N30 Ni6 O24 -","6","1.5","","Hatcher, Lauren E.; Bigos, Edward J.; Bryant, Mathew J.; MacCready, Emily M.; Robinson, Thomas P.; Saunders, Lucy K.; Thomas, Lynne H.; Beavers, Christine M.; Teat, Simon J.; Christensen, Jeppe; Raithby, Paul R.","Thermal and photochemical control of nitro‒nitrito linkage isomerism in single-crystals of [Ni(medpt)(NO2)(η2-ONO)]","CrystEngComm","2014","16","35","8263","","10.1039/C4CE00675E","","","0.71073","MoKα","","0.0478","0.0305","","","0.065","0.0724","","","","","","1.022","","","","has coordinates,has disorder","180498","2020-10-21","18:00:00",""
"7216715","7.104","0.005","23.968","0.005","10.941","0.005","90","","103.958","0.005","90","","1807.9","1.6","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Dinitro-(3,3-diamino-N-methyldipropylamine)nickel(II)","","- C7 H19 N5 Ni O4 -","- C7 H19 N5 Ni O4 -","- C42 H114 N30 Ni6 O24 -","6","3","","Hatcher, Lauren E.; Bigos, Edward J.; Bryant, Mathew J.; MacCready, Emily M.; Robinson, Thomas P.; Saunders, Lucy K.; Thomas, Lynne H.; Beavers, Christine M.; Teat, Simon J.; Christensen, Jeppe; Raithby, Paul R.","Thermal and photochemical control of nitro‒nitrito linkage isomerism in single-crystals of [Ni(medpt)(NO2)(η2-ONO)]","CrystEngComm","2014","16","35","8263","","10.1039/C4CE00675E","","","0.71073","MoKα","","0.0403","0.0318","","","0.071","0.0732","","","","","","0.998","","","","has coordinates,has disorder","180498","2020-10-21","18:00:00",""
"7216716","7.103","0.005","23.963","0.005","10.942","0.005","90","","103.964","0.005","90","","1807.4","1.6","115","2","115","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Dinitro-(3,3-diamino-N-methyldipropylamine)nickel(II)","","- C7 H19 N5 Ni O4 -","- C7 H19 N5 Ni O4 -","- C42 H114 N30 Ni6 O24 -","6","3","","Hatcher, Lauren E.; Bigos, Edward J.; Bryant, Mathew J.; MacCready, Emily M.; Robinson, Thomas P.; Saunders, Lucy K.; Thomas, Lynne H.; Beavers, Christine M.; Teat, Simon J.; Christensen, Jeppe; Raithby, Paul R.","Thermal and photochemical control of nitro‒nitrito linkage isomerism in single-crystals of [Ni(medpt)(NO2)(η2-ONO)]","CrystEngComm","2014","16","35","8263","","10.1039/C4CE00675E","","","0.71073","MoKα","","0.042","0.0327","","","0.0719","0.0742","","","","","","0.987","","","","has coordinates,has disorder","180498","2020-10-21","18:00:00",""
"7216717","7.101","0.005","23.928","0.005","10.936","0.005","90","","103.958","0.005","90","","1803.3","1.6","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Dinitro-(3,3-diamino-N-methyldipropylamine)nickel(II)","","- C7 H19 N5 Ni O4 -","- C7 H19 N5 Ni O4 -","- C42 H114 N30 Ni6 O24 -","6","3","","Hatcher, Lauren E.; Bigos, Edward J.; Bryant, Mathew J.; MacCready, Emily M.; Robinson, Thomas P.; Saunders, Lucy K.; Thomas, Lynne H.; Beavers, Christine M.; Teat, Simon J.; Christensen, Jeppe; Raithby, Paul R.","Thermal and photochemical control of nitro‒nitrito linkage isomerism in single-crystals of [Ni(medpt)(NO2)(η2-ONO)]","CrystEngComm","2014","16","35","8263","","10.1039/C4CE00675E","","","0.71073","MoKα","","0.0522","0.0404","","","0.0988","0.1034","","","","","","0.983","","","","has coordinates,has disorder","180498","2020-10-21","18:00:00",""
"7216718","7.096","0.005","23.843","0.005","10.917","0.005","90","","103.788","0.005","90","","1793.8","1.6","125","2","125","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Dinitro-(3,3-diamino-N-methyldipropylamine)nickel(II)","","- C7 H19 N5 Ni O4 -","- C7 H19 N5 Ni O4 -","- C42 H114 N30 Ni6 O24 -","6","1.5","","Hatcher, Lauren E.; Bigos, Edward J.; Bryant, Mathew J.; MacCready, Emily M.; Robinson, Thomas P.; Saunders, Lucy K.; Thomas, Lynne H.; Beavers, Christine M.; Teat, Simon J.; Christensen, Jeppe; Raithby, Paul R.","Thermal and photochemical control of nitro‒nitrito linkage isomerism in single-crystals of [Ni(medpt)(NO2)(η2-ONO)]","CrystEngComm","2014","16","35","8263","","10.1039/C4CE00675E","","","0.71073","MoKα","","0.0481","0.0359","","","0.0871","0.0911","","","","","","1.023","","","","has coordinates,has disorder","180498","2020-10-21","18:00:00",""
"7216719","7.102","0.005","23.707","0.005","10.91","0.005","90","","103.541","0.005","90","","1785.8","1.5","130","2","130","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Dinitro-(3,3-diamino-N-methyldipropylamine)nickel(II)","","- C7 H19 N5 Ni O4 -","- C7 H19 N5 Ni O4 -","- C42 H114 N30 Ni6 O24 -","6","1.5","","Hatcher, Lauren E.; Bigos, Edward J.; Bryant, Mathew J.; MacCready, Emily M.; Robinson, Thomas P.; Saunders, Lucy K.; Thomas, Lynne H.; Beavers, Christine M.; Teat, Simon J.; Christensen, Jeppe; Raithby, Paul R.","Thermal and photochemical control of nitro‒nitrito linkage isomerism in single-crystals of [Ni(medpt)(NO2)(η2-ONO)]","CrystEngComm","2014","16","35","8263","","10.1039/C4CE00675E","","","0.71073","MoKα","","0.0462","0.0352","","","0.0896","0.0931","","","","","","1.007","","","","has coordinates,has disorder","180498","2020-10-21","18:00:00",""
"7216720","7.108","0.005","23.656","0.005","10.909","0.005","90","","103.439","0.005","90","","1784.1","1.5","135","2","135","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Dinitro-(3,3-diamino-N-methyldipropylamine)nickel(II)","","- C7 H19 N5 Ni O4 -","- C7 H19 N5 Ni O4 -","- C42 H114 N30 Ni6 O24 -","6","1.5","","Hatcher, Lauren E.; Bigos, Edward J.; Bryant, Mathew J.; MacCready, Emily M.; Robinson, Thomas P.; Saunders, Lucy K.; Thomas, Lynne H.; Beavers, Christine M.; Teat, Simon J.; Christensen, Jeppe; Raithby, Paul R.","Thermal and photochemical control of nitro‒nitrito linkage isomerism in single-crystals of [Ni(medpt)(NO2)(η2-ONO)]","CrystEngComm","2014","16","35","8263","","10.1039/C4CE00675E","","","0.71073","MoKα","","0.0414","0.0304","","","0.0757","0.079","","","","","","1.02","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216721","11.3768","0.0009","21.2361","0.0015","12.4255","0.0009","90","","100.766","0.004","90","","2949.1","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H34.8 N4 O9.4 P3 -","- C23 H34 N4 O9.395 P3 -","- C92 H136 N16 O37.58 P12 -","4","1","","Singh, Udai P.; Narang, Shikha","A supramolecular approach towards the construction of molecular salts using phosphonic acid and pyrazole","CrystEngComm","2014","16","33","7777","","10.1039/C4CE00484A","","","0.71073","MoKα","","0.1468","0.0581","","","0.1338","0.1821","","","","","","0.916","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216722","11.4912","0.0009","9.4729","0.0007","22.7526","0.0018","90","","118.245","0.004","90","","2181.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H30 N4 O8 P2 -","- C13 H24 N4 O7 P2 -","- C52 H96 N16 O28 P8 -","4","1","","Singh, Udai P.; Narang, Shikha","A supramolecular approach towards the construction of molecular salts using phosphonic acid and pyrazole","CrystEngComm","2014","16","33","7777","","10.1039/C4CE00484A","","","0.71073","MoKα","","0.1032","0.0759","","","0.2319","0.2439","","","","","","1.056","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216723","15.269","0.003","8.82","0.002","21.635","0.005","90","","90","","90","","2913.6","1.1","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C25 H41 N8 O6 P -","- C25 H41 N8 O6 P -","- C100 H164 N32 O24 P4 -","4","1","","Singh, Udai P.; Narang, Shikha","A supramolecular approach towards the construction of molecular salts using phosphonic acid and pyrazole","CrystEngComm","2014","16","33","7777","","10.1039/C4CE00484A","","","0.71073","MoKα","","0.0858","0.0541","","","0.1342","0.1532","","","","","","0.933","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216724","26.1677","0.001","16.0917","0.0008","8.6296","0.0004","90","","90","","90","","3633.8","0.3","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C34 H46 N8 O6 P2 -","- C34 H46 N8 O6 P2 -","- C136 H184 N32 O24 P8 -","4","1","","Singh, Udai P.; Narang, Shikha","A supramolecular approach towards the construction of molecular salts using phosphonic acid and pyrazole","CrystEngComm","2014","16","33","7777","","10.1039/C4CE00484A","","","0.71073","MoKα","","0.1077","0.0494","","","0.1125","0.1441","","","","","","1","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216725","10.364","0.003","16.227","0.004","11.093","0.003","90","","102.843","0.012","90","","1818.9","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H23 N4 O5 P -","- C14 H23 N4 O5 P -","- C56 H92 N16 O20 P4 -","4","1","","Singh, Udai P.; Narang, Shikha","A supramolecular approach towards the construction of molecular salts using phosphonic acid and pyrazole","CrystEngComm","2014","16","33","7777","","10.1039/C4CE00484A","","","0.71073","MoKα","","0.1719","0.0368","","","0.1236","0.1534","","","","","","1.082","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216726","11.6984","0.0005","19.793","0.0008","25.4741","0.0011","90","","92.012","0.002","90","","5894.8","0.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H44 N4 O7 P2 -","- C20.9975 H44 N4 O7 P2 -","- C167.98 H352 N32 O56 P16 -","8","4","","Singh, Udai P.; Narang, Shikha","A supramolecular approach towards the construction of molecular salts using phosphonic acid and pyrazole","CrystEngComm","2014","16","33","7777","","10.1039/C4CE00484A","","","0.71073","MoKα","","0.0888","0.0485","","","0.1033","0.1211","","","","","","0.995","","","","has coordinates,has disorder","180498","2020-10-21","18:00:00",""
"7216727","24.4212","0.0006","8.3161","0.0002","13.2973","0.0004","90","","92.341","0.002","90","","2698.28","0.12","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H10 N2 O4 S -","- C13 H10 N2 O4 S -","- C104 H80 N16 O32 S8 -","8","1","","Wan, Chong-Qing; Li, Ai-Min; Al-Thabaiti, Shaeel A.; El-Mosslamy, El-Sayed H.; Mak, Thomas C. W.","Efficient solvent-controlled crystallization of pure polymorphs of 1-nitro-4-(4-nitrophenylmethylthio)benzene","CrystEngComm","2014","16","38","8960","","10.1039/C4CE00753K","","","0.71073","MoKα","","0.1009","0.0461","","","0.1219","0.1494","","","","","","1","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216728","6.1653","0.0007","17.4934","0.0018","12.4757","0.0013","90","","104.928","0.007","90","","1300.1","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 N2 O4 S -","- C13 H10 N2 O4 S -","- C52 H40 N8 O16 S4 -","4","1","","Wan, Chong-Qing; Li, Ai-Min; Al-Thabaiti, Shaeel A.; El-Mosslamy, El-Sayed H.; Mak, Thomas C. W.","Efficient solvent-controlled crystallization of pure polymorphs of 1-nitro-4-(4-nitrophenylmethylthio)benzene","CrystEngComm","2014","16","38","8960","","10.1039/C4CE00753K","","","0.71073","MoKα","","0.1101","0.0838","","","0.2643","0.2906","","","","","","1.185","","","","has coordinates,has disorder","180498","2020-10-21","18:00:00",""
"7216729","4.0558","0.0003","20.4472","0.0016","16.1833","0.0012","90","","102.878","0.005","90","","1308.32","0.17","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 N2 O4 S -","- C13 H10 N2 O4 S -","- C52 H40 N8 O16 S4 -","4","1","","Wan, Chong-Qing; Li, Ai-Min; Al-Thabaiti, Shaeel A.; El-Mosslamy, El-Sayed H.; Mak, Thomas C. W.","Efficient solvent-controlled crystallization of pure polymorphs of 1-nitro-4-(4-nitrophenylmethylthio)benzene","CrystEngComm","2014","16","38","8960","","10.1039/C4CE00753K","","","0.71073","MoKα","","0.071","0.0489","","","0.1227","0.1365","","","","","","1.078","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216730","13.103","0.0007","13.866","0.0008","15.6862","0.001","81.809","0.004","71.861","0.003","79.628","0.003","2652.7","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H10 N2 O4 S -","- C13 H10 N2 O4 S -","- C104 H80 N16 O32 S8 -","8","4","","Wan, Chong-Qing; Li, Ai-Min; Al-Thabaiti, Shaeel A.; El-Mosslamy, El-Sayed H.; Mak, Thomas C. W.","Efficient solvent-controlled crystallization of pure polymorphs of 1-nitro-4-(4-nitrophenylmethylthio)benzene","CrystEngComm","2014","16","38","8960","","10.1039/C4CE00753K","","","0.71073","MoKα","","0.234","0.0877","","","0.2065","0.2894","","","","","","0.987","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216731","3.9606","0.0003","12.1751","0.0008","31.027","0.002","90","","93.629","0.003","90","","1493.14","0.18","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 N2 O5 S -","- C13 H10 N2 O5 S -","- C52 H40 N8 O20 S4 -","4","1","","Wan, Chong-Qing; Li, Ai-Min; Al-Thabaiti, Shaeel A.; El-Mosslamy, El-Sayed H.; Mak, Thomas C. W.","Efficient solvent-controlled crystallization of pure polymorphs of 1-nitro-4-(4-nitrophenylmethylthio)benzene","CrystEngComm","2014","16","38","8960","","10.1039/C4CE00753K","","","0.71073","MoKα","","0.0702","0.0576","","","0.1757","0.1888","","","","","","1.064","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216732","13.041","0.005","14.26","0.005","20.45","0.005","77.812","0.005","78.2","0.005","66.431","0.005","3376.4","1.9","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C10 H64 N12 Na Nb14 O60 V -","- C10 H50 N12 Na Nb14 O60 V -","- C20 H100 N24 Na2 Nb28 O120 V2 -","2","1","","Huang, Peng; Zhou, En-Long; Wang, Xin-Long; Sun, Chun-Yi; Wang, Hai-Ning; Xing, Yan; Shao, Kui-Zhan; Su, Zhong-Min","New heteropolyniobates based on a bicapped Keggin-type {VNb14} cluster with selective adsorption and photocatalytic properties","CrystEngComm","2014","16","41","9582","","10.1039/C4CE00960F","","","0.71073","MoKα","","0.0657","0.0455","","","0.1298","0.1405","","","","","","1.054","","","","has coordinates,has disorder","180498","2020-10-21","18:00:00",""
"7216733","32.849","0.005","32.849","0.005","13.718","0.005","90","","90","","90","","14803","6","293","2","293","2","","","","","","","","7","P 42/n :2","-P 4bc","86","","","","- H62 K7 N2 Na4 Nb14 O79 V -","- K7 N2 Na4 Nb14 O72 V -","- K56 N16 Na32 Nb112 O576 V8 -","8","1","","Huang, Peng; Zhou, En-Long; Wang, Xin-Long; Sun, Chun-Yi; Wang, Hai-Ning; Xing, Yan; Shao, Kui-Zhan; Su, Zhong-Min","New heteropolyniobates based on a bicapped Keggin-type {VNb14} cluster with selective adsorption and photocatalytic properties","CrystEngComm","2014","16","41","9582","","10.1039/C4CE00960F","","","0.71069","MoKα","","0.0733","0.059","","","0.1524","0.1665","","","","","","1.055","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216734","9.835","0.007","10.222","0.007","16.06","0.01","83.79","0.01","76.41","0.01","87.92","0.01","1560.1","1.8","293","2","293","2","","","","","","","","2","P -1","-P 1","2","","","","- C28 H22 -","- C28 H22 -","- C84 H66 -","3","1.5","","Bacchi, A.; Brillante, A.; Crocco, D.; Chierotti, M. R.; Della Valle, R. G.; Girlando, A.; Masino, M.; Pelagatti, P.; Venuti, E.","Exploration of the polymorph landscape for 1,1,4,4-tetraphenyl-1,3-butadiene","CrystEngComm","2014","16","35","8205","","10.1039/C4CE01046A","","","0.71073","MoKα","","0.0782","0.0582","","","0.1615","0.1822","","","","","","1.039","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216735","8.846","0.003","8.839","0.003","10.016","0.003","74.927","0.006","64.092","0.005","68.128","0.006","649.3","0.4","293","2","293","2","","","","","","","","2","P -1","-P 1","2","","","","- C34 H34 -","- C34 H34 -","- C34 H34 -","1","0.5","","Bacchi, A.; Brillante, A.; Crocco, D.; Chierotti, M. R.; Della Valle, R. G.; Girlando, A.; Masino, M.; Pelagatti, P.; Venuti, E.","Exploration of the polymorph landscape for 1,1,4,4-tetraphenyl-1,3-butadiene","CrystEngComm","2014","16","35","8205","","10.1039/C4CE01046A","","","0.71073","MoKα","","0.1203","0.0677","","","0.195","0.2321","","","","","","0.976","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216755","13.478","0.004","11.259","0.004","15.046","0.003","90","","93.77","0.03","90","","2278.3","1.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H26 Cl4 Cu2 N4 O2 -","- C18 H26 Cl4 Cu2 N4 O2 -","- C72 H104 Cl16 Cu8 N16 O8 -","4","0.5","","Shi, Wen-Bo; Cui, Ai-Li; Kou, Hui-Zhong","Assembly of dinuclear copper(ii) secondary building units into polymeric complexes: crystal structures and magnetic properties","CrystEngComm","2014","16","34","8027","","10.1039/C4CE01082E","","","0.71073","MoKα","","0.0586","0.0544","","","0.1409","0.1464","","","","","","1.039","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216756","9.2753","0.0006","22.6255","0.0017","13.334","0.0008","90","","110.287","0.002","90","","2624.7","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H30 Cl Cu2 N7 O7 -","- C21 H30 Cl Cu2 N7 O7 -","- C84 H120 Cl4 Cu8 N28 O28 -","4","1","","Shi, Wen-Bo; Cui, Ai-Li; Kou, Hui-Zhong","Assembly of dinuclear copper(ii) secondary building units into polymeric complexes: crystal structures and magnetic properties","CrystEngComm","2014","16","34","8027","","10.1039/C4CE01082E","","","0.71073","MoKα","","0.1638","0.0691","","","0.1434","0.2025","","","","","","1.024","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216757","4.4013","0.0009","8.2656","0.0017","12.976","0.003","82.02","0.03","87","0.03","79.24","0.03","459.1","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H22 Cl2 Cu2 N4 O2 -","- C14 H22 Cl2 Cu2 N4 O2 -","- C14 H22 Cl2 Cu2 N4 O2 -","1","0.5","","Shi, Wen-Bo; Cui, Ai-Li; Kou, Hui-Zhong","Assembly of dinuclear copper(ii) secondary building units into polymeric complexes: crystal structures and magnetic properties","CrystEngComm","2014","16","34","8027","","10.1039/C4CE01082E","","","0.71073","MoKα","","0.0447","0.0382","","","0.098","0.1037","","","","","","1.086","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216758","13.095","0.005","13.001","0.005","13.439","0.005","90","","106.17","0.01","90","","2197.5","1.4","143","2","143","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 Cu2 N10 O2 -","- C18 H22 Cu2 N10 O2 -","- C72 H88 Cu8 N40 O8 -","4","1","","Shi, Wen-Bo; Cui, Ai-Li; Kou, Hui-Zhong","Assembly of dinuclear copper(ii) secondary building units into polymeric complexes: crystal structures and magnetic properties","CrystEngComm","2014","16","34","8027","","10.1039/C4CE01082E","","","0.710747","MoKα","","0.0996","0.0668","","","0.1691","0.1844","","","","","","1.008","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216759","11.7941","0.0017","10.9501","0.0016","22.359","0.003","90","","90","","90","","2887.6","0.7","298","","298","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- Cr4 Gd4 Mo24 O139.92 -","- Cr4 Gd4 Mo24 O139.92 -","- Cr4 Gd4 Mo24 O139.92 -","1","0.25","","Kumar, Dinesh; Ahmad, Shahab; Prakash, G. Vijaya; Ramanujachary, Kandalam V.; Ramanan, Arunachalam","Photoluminescent chromium molybdate cluster coordinated with rare earth cations: synthesis, structure, optical and magnetic properties","CrystEngComm","2014","16","30","7097","","10.1039/C4CE00865K","","","0.71073","MoKα","","0.0286","0.0284","","","0.0647","0.0648","","","","","","1.19","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216760","23.459","0.007","13.337","0.004","24.725","0.008","90","","102.957","0.005","90","","7539","4","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Cr Gd Mo6 N2 O36 -","- C12 H10 Cr Gd Mo6 N2 O36 -","- C96 H80 Cr8 Gd8 Mo48 N16 O288 -","8","1","","Kumar, Dinesh; Ahmad, Shahab; Prakash, G. Vijaya; Ramanujachary, Kandalam V.; Ramanan, Arunachalam","Photoluminescent chromium molybdate cluster coordinated with rare earth cations: synthesis, structure, optical and magnetic properties","CrystEngComm","2014","16","30","7097","","10.1039/C4CE00865K","","","0.71073","MoKα","","0.0678","0.0635","","","0.1183","0.1202","","","","","","1.322","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216761","18.389","0.002","12.5427","0.0014","17.963","0.002","90","","104.117","0.002","90","","4018","0.8","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Cr Mo6 N2 O38 Tb -","- C12 H10 Cr Mo6 N2 O38 Tb -","- C48 H40 Cr4 Mo24 N8 O152 Tb4 -","4","0.5","","Kumar, Dinesh; Ahmad, Shahab; Prakash, G. Vijaya; Ramanujachary, Kandalam V.; Ramanan, Arunachalam","Photoluminescent chromium molybdate cluster coordinated with rare earth cations: synthesis, structure, optical and magnetic properties","CrystEngComm","2014","16","30","7097","","10.1039/C4CE00865K","","","0.71073","MoKα","","0.0329","0.0313","","","0.0878","0.0972","","","","","","1.297","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216762","18.4316","0.0014","12.5601","0.001","17.9491","0.0014","90","","104.3","0.001","90","","4026.5","0.5","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Cr Mo6 N2 O38 Sm -","- C12 H10 Cr Mo6 N2 O38 Sm -","- C48 H40 Cr4 Mo24 N8 O152 Sm4 -","4","0.5","","Kumar, Dinesh; Ahmad, Shahab; Prakash, G. Vijaya; Ramanujachary, Kandalam V.; Ramanan, Arunachalam","Photoluminescent chromium molybdate cluster coordinated with rare earth cations: synthesis, structure, optical and magnetic properties","CrystEngComm","2014","16","30","7097","","10.1039/C4CE00865K","","","0.71073","MoKα","","0.0376","0.0323","","","0.0785","0.081","","","","","","1.04","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216769","9.961","0.005","17.323","0.004","10.814","0.005","90","","94.871","0.005","90","","1859.3","1.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","coordination Polymer","","","- C18 H16 N4 O6 S Zn -","- C18 H12 N4 O6 S Zn -","- C72 H48 N16 O24 S4 Zn4 -","4","1","","Singh, Namita; Anantharaman, Ganapathi","Structural diversity and luminescence properties of coordination polymers based on mixed ligands, 2,5-bis(imidazol-1-yl)thiophene (thim2) and aromatic multicarboxylates","CrystEngComm","2014","16","34","7914","","10.1039/C4CE00927D","","","0.71073","MoKα","","0.074","0.0527","","","0.1315","0.1822","","","","","","1.118","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216770","10.1448","0.0012","11.9933","0.0014","13.9849","0.0016","90","","90","","90","","1701.5","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Coordination polymer","","","- C18 H12 Co N4 O4 S -","- C18 H12 Co N4 O4 S -","- C72 H48 Co4 N16 O16 S4 -","4","1","","Singh, Namita; Anantharaman, Ganapathi","Structural diversity and luminescence properties of coordination polymers based on mixed ligands, 2,5-bis(imidazol-1-yl)thiophene (thim2) and aromatic multicarboxylates","CrystEngComm","2014","16","34","7914","","10.1039/C4CE00927D","","","0.71073","MoKα","","0.0439","0.0372","","","0.084","0.0908","","","","","","1.097","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216771","7.2476","0.0006","17.4087","0.0015","15.9969","0.0014","90","","90.364","0.002","90","","2018.3","0.3","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","coordination polymer","","","- C19 H14 Co N4 O7 S -","- C19 H12 Co N4 O7 S -","- C76 H48 Co4 N16 O28 S4 -","4","1","","Singh, Namita; Anantharaman, Ganapathi","Structural diversity and luminescence properties of coordination polymers based on mixed ligands, 2,5-bis(imidazol-1-yl)thiophene (thim2) and aromatic multicarboxylates","CrystEngComm","2014","16","34","7914","","10.1039/C4CE00927D","","","0.71073","MoKα","","0.1036","0.068","","","0.1669","0.1904","","","","","","1.032","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216772","7.2709","0.0015","17.234","0.003","16.173","0.003","90","","90.215","0.004","90","","2026.6","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","coordination Polymer","","","- C19 H14 N4 O7 S Zn -","- C19 H12 N4 O7 S Zn -","- C76 H48 N16 O28 S4 Zn4 -","4","1","","Singh, Namita; Anantharaman, Ganapathi","Structural diversity and luminescence properties of coordination polymers based on mixed ligands, 2,5-bis(imidazol-1-yl)thiophene (thim2) and aromatic multicarboxylates","CrystEngComm","2014","16","34","7914","","10.1039/C4CE00927D","","","0.71073","MoKα","","0.1077","0.0738","","","0.1935","0.2412","","","","","","1.084","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216773","28.205","0.006","12.181","0.002","15.442","0.003","90","","108.09","0.03","90","","5043.1","1.9","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Coordination polymer","","","- C24 H20 Co N4 O7 S -","- C24 H16 Co N4 O5 S -","- C192 H128 Co8 N32 O40 S8 -","8","1","","Singh, Namita; Anantharaman, Ganapathi","Structural diversity and luminescence properties of coordination polymers based on mixed ligands, 2,5-bis(imidazol-1-yl)thiophene (thim2) and aromatic multicarboxylates","CrystEngComm","2014","16","34","7914","","10.1039/C4CE00927D","","","0.71073","MoKα","","0.0549","0.0431","","","0.1155","0.1334","","","","","","1.091","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216774","28.266","0.006","12.094","0.002","15.364","0.003","90","","107.51","0.03","90","","5008.8","1.9","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Coordination polymer","","","- C24 H20 N4 O7 S Zn -","- C24 H16 N4 O5 S Zn -","- C192 H128 N32 O40 S8 Zn8 -","8","1","","Singh, Namita; Anantharaman, Ganapathi","Structural diversity and luminescence properties of coordination polymers based on mixed ligands, 2,5-bis(imidazol-1-yl)thiophene (thim2) and aromatic multicarboxylates","CrystEngComm","2014","16","34","7914","","10.1039/C4CE00927D","","","0.71073","MoKα","","0.0874","0.0529","","","0.1108","0.1207","","","","","","0.98","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216775","9.611","0.004","10.082","0.005","18.355","0.005","80.514","0.005","85.412","0.003","82.853","0.005","1737.4","1.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Coordination polymer","","","- C36 H26 Mn2 N8 O9 S2 -","- C36 H26 Mn2 N8 O9 S2 -","- C72 H52 Mn4 N16 O18 S4 -","2","1","","Singh, Namita; Anantharaman, Ganapathi","Structural diversity and luminescence properties of coordination polymers based on mixed ligands, 2,5-bis(imidazol-1-yl)thiophene (thim2) and aromatic multicarboxylates","CrystEngComm","2014","16","34","7914","","10.1039/C4CE00927D","","","0.71069","MoKα","","0.0751","0.0529","","","0.1219","0.1419","","","","","","1.072","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216776","37.8858","0.0015","13.3212","0.0006","15.7766","0.0006","90","","101.541","0.002","90","","7801.2","0.6","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H35 Cl3 N5 O5 S -","- C41 H35 Cl3 N5 O5 S -","- C328 H280 Cl24 N40 O40 S8 -","8","2","","Chadha, Renu; Bhandari, Swati; Haneef, Jamshed; Khullar, Sadhika; Mandal, Sanjay","Cocrystals of telmisartan: characterization, structure elucidation, in vivo and toxicity studies","CrystEngComm","2014","16","36","8375","","10.1039/C4CE00797B","","","0.71073","MoKα","","0.178","0.063","","","0.1372","0.1738","","","","","","0.846","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216777","8.7267","0.0018","21.838","0.006","8.408","0.003","90","","118.243","0.008","90","","1411.6","0.7","293.15","","293.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Isopropanol","","- C3 H8 O -","- C3 H8 O -","- C48 H128 O16 -","16","4","","Ridout, Joe; Probert, Michael R.","Low-temperature and high-pressure polymorphs of isopropyl alcohol","CrystEngComm","2014","16","32","7397","","10.1039/C4CE01012D","","x-ray","0.56087","AgKα","K-L~3~","0.1056","0.0585","","","0.1183","0.1429","","","","","","1.109","","","","has coordinates,has disorder","180498","2020-10-21","18:00:00",""
"7216778","6.542","0.003","13.415","0.014","14.469","0.011","90","","99.79","0.02","90","","1251.3","1.7","180","","180","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Isopropanol","","- C3 H8 O -","- C3 H8 O -","- C36 H96 O12 -","12","3","","Ridout, Joe; Probert, Michael R.","Low-temperature and high-pressure polymorphs of isopropyl alcohol","CrystEngComm","2014","16","32","7397","","10.1039/C4CE01012D","","x-ray","0.71073","MoKα","K-L~3~","0.0718","0.0468","","","0.109","0.1231","","","","","","1.002","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216785","26.4001","0.0012","8.6506","0.0004","16.5796","0.0008","90","","115.898","0.001","90","","3406.1","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 N2 Ni O7 -","- C14 H18 N2 Ni O7 -","- C112 H144 N16 Ni8 O56 -","8","1","","Li, Cheng-Peng; Chen, Jing; Liu, Peng-Wen; Du, Miao","Structural diversity of 5-methylnicotinate coordination assemblies regulated by metal-ligating tendency and metal-dependent anion effect","CrystEngComm","2014","16","28","6433","","10.1039/c4ce00187g","","","0.71073","MoKα","","0.0308","0.0255","","","0.0663","0.0694","","","","","","1.036","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216786","17.3192","0.0014","14.3739","0.0012","23.819","0.002","90","","90","","90","","5929.6","0.9","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H26 N4 Ni2 O9 -","- C28 H26 N4 Ni2 O9 -","- C224 H208 N32 Ni16 O72 -","8","1","","Li, Cheng-Peng; Chen, Jing; Liu, Peng-Wen; Du, Miao","Structural diversity of 5-methylnicotinate coordination assemblies regulated by metal-ligating tendency and metal-dependent anion effect","CrystEngComm","2014","16","28","6433","","10.1039/c4ce00187g","","","0.71073","MoKα","","0.068","0.0344","","","0.0677","0.0799","","","","","","1.025","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216787","13.7216","0.0012","7.2942","0.0006","16.2528","0.0014","90","","92.989","0.001","90","","1624.5","0.2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 Cl2 N2 Ni O4 -","- C14 H14 Cl2 N2 Ni O4 -","- C56 H56 Cl8 N8 Ni4 O16 -","4","0.5","","Li, Cheng-Peng; Chen, Jing; Liu, Peng-Wen; Du, Miao","Structural diversity of 5-methylnicotinate coordination assemblies regulated by metal-ligating tendency and metal-dependent anion effect","CrystEngComm","2014","16","28","6433","","10.1039/c4ce00187g","","","0.71073","MoKα","","0.0376","0.0351","","","0.0974","0.0996","","","","","","1.061","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216788","11.761","0.004","16.623","0.005","13.751","0.003","90","","123.915","0.019","90","","2231","1.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H24 Cd2 N2 O14 S -","- C14 H24 Cd2 N2 O14 S -","- C56 H96 Cd8 N8 O56 S4 -","4","1","","Li, Cheng-Peng; Chen, Jing; Liu, Peng-Wen; Du, Miao","Structural diversity of 5-methylnicotinate coordination assemblies regulated by metal-ligating tendency and metal-dependent anion effect","CrystEngComm","2014","16","28","6433","","10.1039/c4ce00187g","","","0.71073","MoKα","","0.0903","0.0781","","","0.2097","0.2295","","","","","","1.037","","","","has coordinates,has disorder","180498","2020-10-21","18:00:00",""
"7216789","7.5497","0.0009","8.1071","0.001","12.7747","0.0016","108.251","0.002","92.214","0.002","100.358","0.002","726.67","0.15","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H14 Cd N2 O5 -","- C14 H14 Cd N2 O5 -","- C28 H28 Cd2 N4 O10 -","2","1","","Li, Cheng-Peng; Chen, Jing; Liu, Peng-Wen; Du, Miao","Structural diversity of 5-methylnicotinate coordination assemblies regulated by metal-ligating tendency and metal-dependent anion effect","CrystEngComm","2014","16","28","6433","","10.1039/c4ce00187g","","","0.71073","MoKα","","0.0277","0.0235","","","0.0541","0.0563","","","","","","1.047","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216790","26.521","0.002","8.8621","0.0007","16.7474","0.0013","90","","117.78","0.001","90","","3482.5","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 Cu N2 O7 -","- C14 H18 Cu N2 O7 -","- C112 H144 Cu8 N16 O56 -","8","1","","Li, Cheng-Peng; Chen, Jing; Liu, Peng-Wen; Du, Miao","Structural diversity of 5-methylnicotinate coordination assemblies regulated by metal-ligating tendency and metal-dependent anion effect","CrystEngComm","2014","16","28","6433","","10.1039/c4ce00187g","","","0.71073","MoKα","","0.0443","0.0346","","","0.0894","0.0955","","","","","","1.042","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216791","26.42","0.002","8.6861","0.0007","16.7178","0.0013","90","","115.668","0.001","90","","3457.9","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 Co N2 O7 -","- C14 H18 Co N2 O7 -","- C112 H144 Co8 N16 O56 -","8","1","","Li, Cheng-Peng; Chen, Jing; Liu, Peng-Wen; Du, Miao","Structural diversity of 5-methylnicotinate coordination assemblies regulated by metal-ligating tendency and metal-dependent anion effect","CrystEngComm","2014","16","28","6433","","10.1039/c4ce00187g","","","0.71073","MoKα","","0.0289","0.0247","","","0.0657","0.0687","","","","","","1.061","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216792","10.0704","0.0005","10.189","0.0005","7.1745","0.0004","90","","101.797","0.001","90","","720.61","0.06","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 Mn N2 O6 -","- C14 H16 Mn N2 O6 -","- C28 H32 Mn2 N4 O12 -","2","0.5","","Li, Cheng-Peng; Chen, Jing; Liu, Peng-Wen; Du, Miao","Structural diversity of 5-methylnicotinate coordination assemblies regulated by metal-ligating tendency and metal-dependent anion effect","CrystEngComm","2014","16","28","6433","","10.1039/c4ce00187g","","","0.71073","MoKα","","0.024","0.023","","","0.0632","0.0639","","","","","","1.099","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216793","12.912","0.002","9.1366","0.0016","14.7843","0.0017","90","","122.411","0.009","90","","1472.4","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N2 O4 Pb -","- C14 H12 N2 O4 Pb -","- C56 H48 N8 O16 Pb4 -","4","1","","Li, Cheng-Peng; Chen, Jing; Liu, Peng-Wen; Du, Miao","Structural diversity of 5-methylnicotinate coordination assemblies regulated by metal-ligating tendency and metal-dependent anion effect","CrystEngComm","2014","16","28","6433","","10.1039/c4ce00187g","","","0.71073","MoKα","","0.0378","0.03","","","0.0743","0.0794","","","","","","1.017","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216794","28.732","0.0001","13.5996","0.0001","17.575","0.0001","90","","90","","90","","6867.32","0.07","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C33 H24 Cl Mn0.5 N4 -","- C33 H24 Cl Mn0.5 N4 -","- C264 H192 Cl8 Mn4 N32 -","8","1","","Hua, Carol; D'Alessandro, Deanna M.","A Mn(ii) coordination framework incorporating the redox-active tris(4-(pyridin-4-yl)phenyl)amine ligand (NPy3): electrochemical and spectral properties","CrystEngComm","2014","16","28","6331","","10.1039/c3ce42603c","","","1.54178","CuKα","","0.0371","0.0342","","","0.0896","0.0941","","","","","","1.042","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7216795","15.9628","0.0009","15.9628","0.0009","14.4867","0.0016","90","","90","","120","","3196.8","0.4","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C4 H12 N8 Ni O8 V2 -","- C4 H12 N8 Ni O8 V2 -","- C36 H108 N72 Ni9 O72 V18 -","9","0.5","","Wang, Xiu-Li; Gong, Chun-Hua; Zhang, Ju-Wen; Hou, Li-Li; Luan, Jian; Liu, Guo-Cheng","Substituent position-induced diverse architectures of polyoxovanadate-based hybrid materials constructed from a linear trinuclear transition metal complex and a hexanuclear [V6O18]6−cluster","CrystEngComm","2014","16","33","7745","","10.1039/C4CE00988F","","","0.71073","MoKα","","0.0687","0.0523","","","0.1532","0.1633","","","","","","1.074","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216796","9.7732","0.0006","10.5394","0.0006","11.4624","0.0007","105.693","0.001","91.6","0.001","114.386","0.001","1022.05","0.11","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H32 N24 Ni3 O22 V6 -","- C12 H32 N24 Ni3 O22 V6 -","- C12 H32 N24 Ni3 O22 V6 -","1","0.5","","Wang, Xiu-Li; Gong, Chun-Hua; Zhang, Ju-Wen; Hou, Li-Li; Luan, Jian; Liu, Guo-Cheng","Substituent position-induced diverse architectures of polyoxovanadate-based hybrid materials constructed from a linear trinuclear transition metal complex and a hexanuclear [V6O18]6−cluster","CrystEngComm","2014","16","33","7745","","10.1039/C4CE00988F","","","0.71073","MoKα","","0.0348","0.0293","","","0.0797","0.0822","","","","","","1.02","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216797","9.8432","0.0007","10.5655","0.0007","11.5289","0.0008","105.811","0.001","91.594","0.001","114.252","0.001","1038.38","0.12","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H32 Co3 N24 O22 V6 -","- C12 H32 Co3 N24 O22 V6 -","- C12 H32 Co3 N24 O22 V6 -","1","0.5","","Wang, Xiu-Li; Gong, Chun-Hua; Zhang, Ju-Wen; Hou, Li-Li; Luan, Jian; Liu, Guo-Cheng","Substituent position-induced diverse architectures of polyoxovanadate-based hybrid materials constructed from a linear trinuclear transition metal complex and a hexanuclear [V6O18]6−cluster","CrystEngComm","2014","16","33","7745","","10.1039/C4CE00988F","","","0.71073","MoKα","","0.0507","0.0402","","","0.1094","0.1143","","","","","","1.04","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216798","9.844","0.0005","10.5676","0.0005","11.543","0.0006","105.887","0.001","91.797","0.001","114.183","0.001","1039.38","0.09","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H32 N24 O22 V6 Zn3 -","- C12 H32 N24 O22 V6 Zn3 -","- C12 H32 N24 O22 V6 Zn3 -","1","0.5","","Wang, Xiu-Li; Gong, Chun-Hua; Zhang, Ju-Wen; Hou, Li-Li; Luan, Jian; Liu, Guo-Cheng","Substituent position-induced diverse architectures of polyoxovanadate-based hybrid materials constructed from a linear trinuclear transition metal complex and a hexanuclear [V6O18]6−cluster","CrystEngComm","2014","16","33","7745","","10.1039/C4CE00988F","","","0.71073","MoKα","","0.0285","0.0273","","","0.1072","0.1092","","","","","","1.001","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216799","24.8443","0.0007","12.8836","0.0004","15.0538","0.0005","90","","96.709","0.003","90","","4785.5","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H47 Ce2 N3 O21 -","- C33 H23 Ce2 N O17 -","- C132 H92 Ce8 N4 O68 -","4","0.5","","Li, Xiang-Ying; Lin, Zu-Jin; Yang, Yan-Yan; Cao, Rong","Synthesis, structures and luminescent properties of lanthanide coordination polymers involving biphenyl-3,4′,5-tricarboxylate","CrystEngComm","2014","16","28","6425","","10.1039/c4ce00158c","","","0.71073","MoKα","","0.0456","0.0343","","","0.0962","0.1011","","","","","","1.047","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216800","24.7168","0.0007","13.0121","0.0004","14.9778","0.0005","90","","96.682","0.003","90","","4784.4","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H47 N3 O21 Pr2 -","- C33 H23 N O17 Pr2 -","- C132 H92 N4 O68 Pr8 -","4","0.5","","Li, Xiang-Ying; Lin, Zu-Jin; Yang, Yan-Yan; Cao, Rong","Synthesis, structures and luminescent properties of lanthanide coordination polymers involving biphenyl-3,4′,5-tricarboxylate","CrystEngComm","2014","16","28","6425","","10.1039/c4ce00158c","","","0.71073","MoKα","","0.0484","0.0344","","","0.0958","0.1019","","","","","","1.061","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216801","24.5711","0.0007","13.2963","0.0004","14.7313","0.0005","90","","96.735","0.003","90","","4779.6","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H47 Eu2 N3 O21 -","- C33 H23 Eu2 N O17 -","- C132 H92 Eu8 N4 O68 -","4","0.5","","Li, Xiang-Ying; Lin, Zu-Jin; Yang, Yan-Yan; Cao, Rong","Synthesis, structures and luminescent properties of lanthanide coordination polymers involving biphenyl-3,4′,5-tricarboxylate","CrystEngComm","2014","16","28","6425","","10.1039/c4ce00158c","","","0.71073","MoKα","","0.068","0.0488","","","0.132","0.1476","","","","","","1.074","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216802","20.2686","0.0003","18.9736","0.0002","27.9855","0.0004","90","","107.632","0.001","90","","10256.7","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H48.5 La2 N2.5 O20 -","- C40 H38.5 La2 N2.5 O20.5 -","- C320 H308 La16 N20 O164 -","8","1","","Li, Xiang-Ying; Lin, Zu-Jin; Yang, Yan-Yan; Cao, Rong","Synthesis, structures and luminescent properties of lanthanide coordination polymers involving biphenyl-3,4′,5-tricarboxylate","CrystEngComm","2014","16","28","6425","","10.1039/c4ce00158c","","","0.71073","MoKα","","0.1005","0.0819","","","0.2049","0.2214","","","","","","1.013","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7216803","19.8953","0.0003","18.6848","0.0002","27.9037","0.0004","90","","107.266","0.001","90","","9905.5","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H48.5 N2.5 O20 Sm2 -","- C40 H38.5 N2.5 O20.5 Sm2 -","- C320 H308 N20 O164 Sm16 -","8","1","","Li, Xiang-Ying; Lin, Zu-Jin; Yang, Yan-Yan; Cao, Rong","Synthesis, structures and luminescent properties of lanthanide coordination polymers involving biphenyl-3,4′,5-tricarboxylate","CrystEngComm","2014","16","28","6425","","10.1039/c4ce00158c","","","0.71073","MoKα","","0.0527","0.0359","","","0.0825","0.0933","","","","","","1.077","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7216804","19.8267","0.0003","18.6253","0.0002","27.8685","0.0004","90","","107.1","0.001","90","","9836.3","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H48.5 Eu2 N2.5 O20 -","- C40 H38.5 Eu2 N2.5 O20.5 -","- C320 H308 Eu16 N20 O164 -","8","1","","Li, Xiang-Ying; Lin, Zu-Jin; Yang, Yan-Yan; Cao, Rong","Synthesis, structures and luminescent properties of lanthanide coordination polymers involving biphenyl-3,4′,5-tricarboxylate","CrystEngComm","2014","16","28","6425","","10.1039/c4ce00158c","","","0.71073","MoKα","","0.0859","0.0636","","","0.1451","0.1611","","","","","","1.041","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7216805","19.7427","0.0003","18.433","0.0002","27.8981","0.0004","90","","107.333","0.001","90","","9691.6","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H48.5 N2.5 O20 Tb2 -","- C40 H38.5 N2.5 O21.5 Tb2 -","- C320 H308 N20 O172 Tb16 -","8","1","","Li, Xiang-Ying; Lin, Zu-Jin; Yang, Yan-Yan; Cao, Rong","Synthesis, structures and luminescent properties of lanthanide coordination polymers involving biphenyl-3,4′,5-tricarboxylate","CrystEngComm","2014","16","28","6425","","10.1039/c4ce00158c","","","0.71073","MoKα","","0.0754","0.0609","","","0.1556","0.1681","","","","","","1.033","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7216806","24.8112","0.0008","13.7461","0.0004","13.6627","0.0004","90","","99.153","0.003","90","","4600.4","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H21 O9 S2 Sm -","- C18.542 H17.626 O8 S1.771 Sm -","- C148.336 H141.008 O64 S14.168 Sm8 -","8","1","","Li, Xiang-Ying; Lin, Zu-Jin; Yang, Yan-Yan; Cao, Rong","Synthesis, structures and luminescent properties of lanthanide coordination polymers involving biphenyl-3,4′,5-tricarboxylate","CrystEngComm","2014","16","28","6425","","10.1039/c4ce00158c","","","0.71073","MoKα","","0.0471","0.0399","","","0.1111","0.1162","","","","","","1.086","","","","has coordinates,has disorder","180499","2020-10-21","18:00:00",""
"7216807","24.8718","0.0008","13.7591","0.0004","13.6832","0.0004","90","","98.949","0.003","90","","4625.6","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H21 Nd O9 S2 -","- C18.56 H17.68 Nd O8 S1.78 -","- C148.48 H141.44 Nd8 O64 S14.24 -","8","1","","Li, Xiang-Ying; Lin, Zu-Jin; Yang, Yan-Yan; Cao, Rong","Synthesis, structures and luminescent properties of lanthanide coordination polymers involving biphenyl-3,4′,5-tricarboxylate","CrystEngComm","2014","16","28","6425","","10.1039/c4ce00158c","","","0.71073","MoKα","","0.0446","0.0379","","","0.1085","0.1136","","","","","","1.093","","","","has coordinates,has disorder","180499","2020-10-21","18:00:00",""
"7216808","36.0605","0.0019","5.2677","0.0002","19.4061","0.001","90","","113.793","0.007","90","","3373","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H32 Co2 N10 O12 -","- C32 H32 Co2 N10 O12 -","- C128 H128 Co8 N40 O48 -","4","0.5","","Yang, Yan; Yang, Jin; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A series of metal‒organic frameworks based on a semi-rigid bifunctional ligand 5-[(1H-1,2,4-triazol-1-yl)methoxy] isophthalic acid and flexible N-donor bridging ligands","CrystEngComm","2014","16","28","6380","","10.1039/c3ce42625d","","","0.71073","MoKα","","0.0358","0.0309","","","0.0743","0.0772","","","","","","1.06","","","","has coordinates,has disorder","180499","2020-10-21","18:00:00",""
"7216809","36.364","0.002","5.3141","0.0003","19.5932","0.0011","90","","113.105","0.009","90","","3482.5","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H32 Mn2 N10 O12 -","- C32 H32 Mn2 N10 O12 -","- C128 H128 Mn8 N40 O48 -","4","0.5","","Yang, Yan; Yang, Jin; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A series of metal‒organic frameworks based on a semi-rigid bifunctional ligand 5-[(1H-1,2,4-triazol-1-yl)methoxy] isophthalic acid and flexible N-donor bridging ligands","CrystEngComm","2014","16","28","6380","","10.1039/c3ce42625d","","","0.71073","MoKα","","0.0556","0.0382","","","0.0819","0.0896","","","","","","1.023","","","","has coordinates,has disorder","180499","2020-10-21","18:00:00",""
"7216810","8.9623","0.0013","10.1747","0.0011","12.1422","0.001","100.966","0.009","110.157","0.011","103.494","0.011","965.3","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H38 Mn2 N12 O10 -","- C36 H38 Mn2 N12 O10 -","- C36 H38 Mn2 N12 O10 -","1","0.5","","Yang, Yan; Yang, Jin; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A series of metal‒organic frameworks based on a semi-rigid bifunctional ligand 5-[(1H-1,2,4-triazol-1-yl)methoxy] isophthalic acid and flexible N-donor bridging ligands","CrystEngComm","2014","16","28","6380","","10.1039/c3ce42625d","","","0.71073","MoKα","","0.0504","0.0372","","","0.0781","0.0857","","","","","","1.062","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216811","9.2436","0.0005","11.0384","0.0005","22.7044","0.0009","91.226","0.004","91.585","0.004","113.366","0.005","2124.51","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H40 N10 Ni2 O16 -","- C32 H34 N10 Ni2 O16 -","- C64 H68 N20 Ni4 O32 -","2","1","","Yang, Yan; Yang, Jin; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A series of metal‒organic frameworks based on a semi-rigid bifunctional ligand 5-[(1H-1,2,4-triazol-1-yl)methoxy] isophthalic acid and flexible N-donor bridging ligands","CrystEngComm","2014","16","28","6380","","10.1039/c3ce42625d","","","0.71073","MoKα","","0.0876","0.062","","","0.1687","0.1915","","","","","","1.037","","","","has coordinates,has disorder","180499","2020-10-21","18:00:00",""
"7216812","11.5342","0.0008","20.5261","0.0012","19.3153","0.0013","90","","126.053","0.005","90","","3697.1","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H34 Cu2 N10 O13 -","- C32 H30 Cu2 N10 O13 -","- C128 H120 Cu8 N40 O52 -","4","1","","Yang, Yan; Yang, Jin; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A series of metal‒organic frameworks based on a semi-rigid bifunctional ligand 5-[(1H-1,2,4-triazol-1-yl)methoxy] isophthalic acid and flexible N-donor bridging ligands","CrystEngComm","2014","16","28","6380","","10.1039/c3ce42625d","","","0.71073","MoKα","","0.1123","0.0589","","","0.1016","0.1244","","","","","","1.03","","","","has coordinates,has disorder","180499","2020-10-21","18:00:00",""
"7216813","13.5928","0.0009","8.7066","0.0005","18.2172","0.001","90","","94.9","0.006","90","","2148.1","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H46 Cu2 N12 O14 -","- C36 H46 Cu2 N12 O14 -","- C72 H92 Cu4 N24 O28 -","2","0.5","","Yang, Yan; Yang, Jin; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A series of metal‒organic frameworks based on a semi-rigid bifunctional ligand 5-[(1H-1,2,4-triazol-1-yl)methoxy] isophthalic acid and flexible N-donor bridging ligands","CrystEngComm","2014","16","28","6380","","10.1039/c3ce42625d","","","0.71073","MoKα","","0.0958","0.0553","","","0.1","0.117","","","","","","1.024","","","","has coordinates,has disorder","180499","2020-10-21","18:00:00",""
"7216814","9.7409","0.0014","10.3056","0.0016","11.2358","0.0018","116.914","0.016","96.328","0.013","109.365","0.014","902.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H36 N10 O14 Zn2 -","- C32 H36 N10 O14 Zn2 -","- C32 H36 N10 O14 Zn2 -","1","0.5","","Yang, Yan; Yang, Jin; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A series of metal‒organic frameworks based on a semi-rigid bifunctional ligand 5-[(1H-1,2,4-triazol-1-yl)methoxy] isophthalic acid and flexible N-donor bridging ligands","CrystEngComm","2014","16","28","6380","","10.1039/c3ce42625d","","","0.71073","MoKα","","0.0875","0.0526","","","0.0769","0.0917","","","","","","1.048","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216815","18.574","0.001","11.8625","0.0006","16.8934","0.0008","90","","112.071","0.006","90","","3449.4","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H30 N10 O11 Zn2 -","- C32 H28 N10 O11 Zn2 -","- C128 H112 N40 O44 Zn8 -","4","0.5","","Yang, Yan; Yang, Jin; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A series of metal‒organic frameworks based on a semi-rigid bifunctional ligand 5-[(1H-1,2,4-triazol-1-yl)methoxy] isophthalic acid and flexible N-donor bridging ligands","CrystEngComm","2014","16","28","6380","","10.1039/c3ce42625d","","","0.71073","MoKα","","0.0789","0.0472","","","0.0909","0.1058","","","","","","1.018","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216816","26.713","0.003","10.186","0.0006","26.764","0.003","90","","114.765","0.012","90","","6612.7","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C71 H50 N9 O15 Zn4 -","- C71 H50 N9 O15 Zn4 -","- C284 H200 N36 O60 Zn16 -","4","1","","Du, Peng; Yang, Yan; Kang, Da-Wei; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Four cluster-containing highly connected coordination networks: syntheses, structures, and properties","CrystEngComm","2014","16","28","6372","","10.1039/c4ce00098f","","","0.71069","MoKα","","0.1439","0.0693","","","0.1325","0.1653","","","","","","0.993","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216817","10.491","0.0005","14.442","0.0008","15.738","0.0009","97.903","0.004","107.597","0.005","95.036","0.004","2230.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H72 N6 O34 Zn8 -","- C96 H72 N6 O34 Zn8 -","- C96 H72 N6 O34 Zn8 -","1","0.5","","Du, Peng; Yang, Yan; Kang, Da-Wei; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Four cluster-containing highly connected coordination networks: syntheses, structures, and properties","CrystEngComm","2014","16","28","6372","","10.1039/c4ce00098f","","","0.71069","MoKα","","0.0467","0.036","","","0.0809","0.0889","","","","","","1.038","","","","has coordinates,has disorder","180499","2020-10-21","18:00:00",""
"7216818","10.412","0.0003","14.861","0.0006","15.616","0.0006","103.206","0.003","92.815","0.003","97.125","0.003","2326.73","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C98 H74 Cd8 N2 O37 -","- C98 H72 Cd8 N2 O37 -","- C98 H72 Cd8 N2 O37 -","1","0.5","","Du, Peng; Yang, Yan; Kang, Da-Wei; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Four cluster-containing highly connected coordination networks: syntheses, structures, and properties","CrystEngComm","2014","16","28","6372","","10.1039/c4ce00098f","","","0.71069","MoKα","","0.0385","0.028","","","0.0596","0.0642","","","","","","1.027","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216819","11.014","0.005","13.17","0.005","14.773","0.0008","88.002","0.004","83.199","0.004","86.478","0.003","2123","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H70 Cd5 N24 O22 -","- C84 H58 Cd5 N24 O22 -","- C84 H58 Cd5 N24 O22 -","1","0.5","","Du, Peng; Yang, Yan; Kang, Da-Wei; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Four cluster-containing highly connected coordination networks: syntheses, structures, and properties","CrystEngComm","2014","16","28","6372","","10.1039/c4ce00098f","","","0.71069","MoKα","","0.042","0.0324","","","0.0743","0.0801","","","","","","1.033","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216820","10.9347","0.0006","12.6382","0.0007","12.7232","0.0007","61.42","0.001","66.901","0.001","68.104","0.001","1382.4","0.13","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H32 F N4 O6 -","- C30 H32 F N4 O6 -","- C60 H64 F2 N8 O12 -","2","1","","Zhang, Tingting; Yang, Yan; Zhao, Xiaojun; Jia, Jiangtao; Su, Hongmin; He, Hongming; Gu, Jingkai; Zhu, Guangshan","Dissolution and pharmacokinetic properties of two paliperidone cocrystals with 4-hydroxybenzoic and 4-aminobenzoic acid","CrystEngComm","2014","16","33","7667","","10.1039/C4CE00784K","","","","","","0.07","","","","","","","","","","","","","","","has coordinates","209037","2020-10-21","18:00:00",""
"7216821","10.9374","0.0007","12.6162","0.0008","12.7201","0.0008","61.396","0.001","66.853","0.001","68.137","0.001","1379.57","0.15","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H33 F N5 O5 -","- C30 H33 F N5 O5 -","- C60 H66 F2 N10 O10 -","2","1","","Zhang, Tingting; Yang, Yan; Zhao, Xiaojun; Jia, Jiangtao; Su, Hongmin; He, Hongming; Gu, Jingkai; Zhu, Guangshan","Dissolution and pharmacokinetic properties of two paliperidone cocrystals with 4-hydroxybenzoic and 4-aminobenzoic acid","CrystEngComm","2014","16","33","7667","","10.1039/C4CE00784K","","","0.71073","MoKα","","0.0673","0.0549","","","0.1494","0.1577","","","","","","1.068","","","","has coordinates,has disorder","180499","2020-10-21","18:00:00",""
"7216822","18.006","0.001","15.3229","0.0009","20.969","0.001","90","","90","","90","","5785.4","0.5","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C25.5 H26 I N9 O3.5 Zn -","- C25.5 H12 I N9 O3.5 Zn -","- C204 H96 I8 N72 O28 Zn8 -","8","2","","Kojima, Tatsuhiro; Yamada, Tomofumi; Yakiyama, Yumi; Ishikawa, Eri; Morita, Yasushi; Ebihara, Masahiro; Kawano, Masaki","The diversity of Zn(ii) coordination networks composed of multi-interactive ligand TPHAP−via weak intermolecular interaction","CrystEngComm","2014","16","28","6335","","10.1039/c3ce42382d","","","0.71073","MoKα","","0.1367","0.0931","","","0.2607","0.2969","","","","","","1.036","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216823","26.47","0.02","15.79","0.01","13.591","0.009","90","","105.64","0.02","90","","5470","7","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C22 H28 Cl0.5 I0.5 N9 O8 Zn -","- C22 H14 Cl0.5 I0.5 N9 O8 Zn -","- C176 H112 Cl4 I4 N72 O64 Zn8 -","8","1","","Kojima, Tatsuhiro; Yamada, Tomofumi; Yakiyama, Yumi; Ishikawa, Eri; Morita, Yasushi; Ebihara, Masahiro; Kawano, Masaki","The diversity of Zn(ii) coordination networks composed of multi-interactive ligand TPHAP−via weak intermolecular interaction","CrystEngComm","2014","16","28","6335","","10.1039/c3ce42382d","","","0.71073","MoKα","","0.0913","0.0598","","","0.1471","0.1635","","","","","","1.031","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7216824","15.4187","0.0002","12.4644","0.0002","21.6037","0.0003","90","","90.208","0.001","90","","4151.88","0.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H38 I N9 O5 Zn -","- C42 H27 I N9 O5 Zn -","- C168 H108 I4 N36 O20 Zn4 -","4","1","","Kojima, Tatsuhiro; Yamada, Tomofumi; Yakiyama, Yumi; Ishikawa, Eri; Morita, Yasushi; Ebihara, Masahiro; Kawano, Masaki","The diversity of Zn(ii) coordination networks composed of multi-interactive ligand TPHAP−via weak intermolecular interaction","CrystEngComm","2014","16","28","6335","","10.1039/c3ce42382d","","","0.68898","synchrotron","","0.1326","0.1162","","","0.3266","0.3389","","","","","","0.933","","","","has coordinates,has disorder","180499","2020-10-21","18:00:00",""
"7216825","21.5","0.011","21.5","0.011","22.454","0.012","90","","90","","90","","10379","9","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C54.5 H52 I N9 O7.5 Zn -","- C54.5 H37 I N9 O7.5 Zn -","- C436 H296 I8 N72 O60 Zn8 -","8","2","","Kojima, Tatsuhiro; Yamada, Tomofumi; Yakiyama, Yumi; Ishikawa, Eri; Morita, Yasushi; Ebihara, Masahiro; Kawano, Masaki","The diversity of Zn(ii) coordination networks composed of multi-interactive ligand TPHAP−via weak intermolecular interaction","CrystEngComm","2014","16","28","6335","","10.1039/c3ce42382d","","","0.71073","MoKα","","0.1357","0.089","","","0.2329","0.2519","","","","","","0.983","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216826","44.006","0.001","44.006","0.001","28.267","0.001","90","","90","","120","","47406","2","85","2","85","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C40 H46 I N11 O10 Zn -","- C40 H22 I N11 O10 Zn -","- C1440 H792 I36 N396 O360 Zn36 -","36","1","","Kojima, Tatsuhiro; Yamada, Tomofumi; Yakiyama, Yumi; Ishikawa, Eri; Morita, Yasushi; Ebihara, Masahiro; Kawano, Masaki","The diversity of Zn(ii) coordination networks composed of multi-interactive ligand TPHAP−via weak intermolecular interaction","CrystEngComm","2014","16","28","6335","","10.1039/c3ce42382d","","","0.689","synchrotron","","0.161","0.124","","","0.3556","0.3849","","","","","","1.365","","","","has coordinates,has disorder","180499","2020-10-21","18:00:00",""
"7216827","15.1138","0.0001","18.5709","0.0001","15.6792","0.0001","90","","117.212","0.002","90","","3913.71","0.08","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H37 I N12 O Zn -","- C41 H34.5 I N12 O Zn -","- C164 H138 I4 N48 O4 Zn4 -","4","1","","Kojima, Tatsuhiro; Yamada, Tomofumi; Yakiyama, Yumi; Ishikawa, Eri; Morita, Yasushi; Ebihara, Masahiro; Kawano, Masaki","The diversity of Zn(ii) coordination networks composed of multi-interactive ligand TPHAP−via weak intermolecular interaction","CrystEngComm","2014","16","28","6335","","10.1039/c3ce42382d","","","0.68899","synchrotron","","0.0752","0.0657","","","0.1794","0.1873","","","","","","1.054","","","","has coordinates,has disorder","180499","2020-10-21","18:00:00",""
"7216828","23.1344","0.0002","14.7104","0.0001","26.8906","0.0003","90","","110.411","0.0003","90","","8576.72","0.14","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C65 H83 I6 N23 O11 Zn4 -","- C65 H72 I6 N23 O11 Zn4 -","- C260 H288 I24 N92 O44 Zn16 -","4","1","","Kojima, Tatsuhiro; Yamada, Tomofumi; Yakiyama, Yumi; Ishikawa, Eri; Morita, Yasushi; Ebihara, Masahiro; Kawano, Masaki","The diversity of Zn(ii) coordination networks composed of multi-interactive ligand TPHAP−via weak intermolecular interaction","CrystEngComm","2014","16","28","6335","","10.1039/c3ce42382d","","","0.75002","synchrotron","","0.0831","0.0663","","","0.176","0.1878","","","","","","1.051","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216829","7.0884","0.0003","7.715","0.0002","11.634","0.0005","80.755","0.003","78.037","0.004","83.455","0.003","612.18","0.04","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","bis-1,2,3-Triamino-2,4,6-triazinium ethylenetriaminetetraacetate diaqua","","- C16 H32 N14 O10 -","- C16 H32 N14 O10 -","- C16 H32 N14 O10 -","1","0.5","","Vella-Zarb, Liana; Braga, Dario; Guy Orpen, A.; Baisch, Ulrich","The influence of hydrogen bonding on the planar arrangement of melamine in crystal structures of its solvates, cocrystals and salts","CrystEngComm","2014","16","35","8147","","10.1039/C4CE00748D","","","0.71073","MoKα","","0.0655","0.0339","","","0.0832","0.0892","","","","","","0.897","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216830","7.4296","0.0006","12.3333","0.0011","11.9384","0.0011","90","","114.07","0.006","90","","998.81","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Melamine DMSO solvate","","- C5 H12 N6 O S -","- C5 H12 N6 O S -","- C20 H48 N24 O4 S4 -","4","1","","Vella-Zarb, Liana; Braga, Dario; Guy Orpen, A.; Baisch, Ulrich","The influence of hydrogen bonding on the planar arrangement of melamine in crystal structures of its solvates, cocrystals and salts","CrystEngComm","2014","16","35","8147","","10.1039/C4CE00748D","","","0.71073","MoKα","","0.0662","0.0386","","","0.0774","0.0868","","","","","","1.063","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216831","18.041","0.002","10.6373","0.0014","14.289","0.002","90","","103.652","0.014","90","","2664.7","0.6","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","dimelaminium sulfate","","- C6 H14 N12 O4 S -","- C6 H14 N12 O4 S -","- C48 H112 N96 O32 S8 -","8","1","","Vella-Zarb, Liana; Braga, Dario; Guy Orpen, A.; Baisch, Ulrich","The influence of hydrogen bonding on the planar arrangement of melamine in crystal structures of its solvates, cocrystals and salts","CrystEngComm","2014","16","35","8147","","10.1039/C4CE00748D","","","0.71073","MoKα","","0.2244","0.0493","","","0.0745","0.0972","","","","","","0.771","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216832","7.771","0.0014","9.8924","0.0018","12.186","0.002","90","","101.198","0.009","90","","919","0.3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","melaminium dinitrate","","- C3 H8 N8 O6 -","- C3 H8 N8 O6 -","- C12 H32 N32 O24 -","4","1","","Vella-Zarb, Liana; Braga, Dario; Guy Orpen, A.; Baisch, Ulrich","The influence of hydrogen bonding on the planar arrangement of melamine in crystal structures of its solvates, cocrystals and salts","CrystEngComm","2014","16","35","8147","","10.1039/C4CE00748D","","","1.54178","CuKα","","0.3022","0.0335","","","0.0905","0.1046","","","","","","1.049","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216833","14.3308","0.0008","16.2228","0.001","13.1104","0.001","90","","109.388","0.007","90","","2875.1","0.3","150.15","","150.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","tri-theobromine melamine","","- C24 H30 N18 O6 -","- C24 H30 N18 O6 -","- C96 H120 N72 O24 -","4","0.5","","Vella-Zarb, Liana; Braga, Dario; Guy Orpen, A.; Baisch, Ulrich","The influence of hydrogen bonding on the planar arrangement of melamine in crystal structures of its solvates, cocrystals and salts","CrystEngComm","2014","16","35","8147","","10.1039/C4CE00748D","","","1.54184","CuKα","","0.0839","0.0685","","","0.205","0.2244","","","","","","1.033","","","","has coordinates,has disorder","180499","2020-10-21","18:00:00",""
"7216834","38.315","0.003","12.5251","0.001","29.193","0.002","90","","109.401","0.002","90","","13214.2","1.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","ST318","","","- C60 H84.6 Cl2 Mn2 O12.3 S3.3 -","- C60 H81.6 Cl2 Mn2 O12.3 S3.3 -","- C480 H652.8 Cl16 Mn16 O98.4 S26.4 -","8","1","","Taylor, Stephanie M.; Frost, Jamie M.; McLellan, Ross; McIntosh, Ruaraidh D.; Brechin, Euan K.; Dalgarno, Scott J.","Assembly of a calix[4]arene-supported MnIIIMnIIcluster mediated by halogen interactions","CrystEngComm","2014","16","35","8098","","10.1039/C4CE00729H","","","0.71073","MoKα","","0.1447","0.093","","","0.2335","0.2546","","","","","","1.575","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7216835","11.9272","0.0015","13.954","0.003","20.185","0.002","90","","90","","90","","3359.4","0.9","150","2","150","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C14.7 H17.3 Cu0.5 N3.4 O3.9 -","- C10.5 H6.5 Cu0.5 N2 O2.5 -","- C84 H52 Cu4 N16 O20 -","8","1","","Coghlan, Campbell J.; Sumby, Christopher J.; Doonan, Christian J.","Utilising hinged ligands in MOF synthesis: a covalent linking strategy for forming 3D MOFs","CrystEngComm","2014","16","28","6364","","10.1039/c4ce00181h","","","0.71073","MoKα","","0.2069","0.1268","","","0.3509","0.3829","","","","","","0.994","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216836","23.269","0.005","10.602","0.002","24.34","0.005","90","","111.28","0.03","90","","5595","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 N5 O5 Zn -","- C21 H13 N4 O4 Zn -","- C168 H104 N32 O32 Zn8 -","8","1","","Coghlan, Campbell J.; Sumby, Christopher J.; Doonan, Christian J.","Utilising hinged ligands in MOF synthesis: a covalent linking strategy for forming 3D MOFs","CrystEngComm","2014","16","28","6364","","10.1039/c4ce00181h","","","0.71073","synchrotron","","0.0767","0.0706","","","0.1961","0.2007","","","","","","1.088","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216837","23.324","0.003","10.2514","0.0006","25.426","0.002","90","","116.19","0.015","90","","5455.3","1.1","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26.25 H25.25 Cd N5.75 O5.75 -","- C21 H13 Cd N4 O4 -","- C168 H104 Cd8 N32 O32 -","8","1","","Coghlan, Campbell J.; Sumby, Christopher J.; Doonan, Christian J.","Utilising hinged ligands in MOF synthesis: a covalent linking strategy for forming 3D MOFs","CrystEngComm","2014","16","28","6364","","10.1039/c4ce00181h","","","0.71073","MoKα","","0.0933","0.0619","","","0.1366","0.1476","","","","","","1.035","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216838","10.0477","0.0003","15.2023","0.001","22.6589","0.0007","90","","90","","90","","3461.1","0.3","109","2","109","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C13.5 H16.5 Co0.5 N3 O4.5 -","- C10.5 H9.5 Co0.5 N2 O3.5 -","- C84 H76 Co4 N16 O28 -","8","1","","Coghlan, Campbell J.; Sumby, Christopher J.; Doonan, Christian J.","Utilising hinged ligands in MOF synthesis: a covalent linking strategy for forming 3D MOFs","CrystEngComm","2014","16","28","6364","","10.1039/c4ce00181h","","","0.71073","MoKα","","0.0755","0.0574","","","0.1698","0.1791","","","","","","1.087","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216839","8.245","0.001","29.405","0.004","10.8415","0.0015","90","","108.285","0.006","90","","2495.7","0.6","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 Cu2 I2 N6 O2 -","- C22 H17 Cu2 I2 N6 O2 -","- C88 H68 Cu8 I8 N24 O8 -","4","1","","Argyle, Victoria J.; Roxburgh, Marina; Hanton, Lyall R.","Use of the oxime‒oximato binding mode to stabilise mixed valence copper iodide polymer networks using dipyridyl ketone oxime ligands","CrystEngComm","2014","16","28","6345","","10.1039/c3ce42481b","","","0.71069","MoKα","","0.0449","0.0434","","","0.1446","0.1473","","","","","","1.206","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216840","8.4693","0.0006","14.305","0.001","15.7364","0.0014","90","","90","","90","","1906.5","0.3","90","2","90","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H16 Cu N6 O2 -","- C22 H16 Cu N6 O2 -","- C88 H64 Cu4 N24 O8 -","4","0.5","","Argyle, Victoria J.; Roxburgh, Marina; Hanton, Lyall R.","Use of the oxime‒oximato binding mode to stabilise mixed valence copper iodide polymer networks using dipyridyl ketone oxime ligands","CrystEngComm","2014","16","28","6345","","10.1039/c3ce42481b","","","0.71069","MoKα","","0.0396","0.0313","","","0.0745","0.0787","","","","","","1.102","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216841","11.639","0.0009","15.3802","0.0012","14.9492","0.0011","90","","99.34","0.0004","90","","2640.6","0.3","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 Cu2 I2 N7 O2 -","- C24 H20 Cu2 I2 N7 O2 -","- C96 H80 Cu8 I8 N28 O8 -","4","1","","Argyle, Victoria J.; Roxburgh, Marina; Hanton, Lyall R.","Use of the oxime‒oximato binding mode to stabilise mixed valence copper iodide polymer networks using dipyridyl ketone oxime ligands","CrystEngComm","2014","16","28","6345","","10.1039/c3ce42481b","","","0.71069","MoKα","","0.0163","0.0161","","","0.0383","0.0384","","","","","","1.15","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216842","8.6202","0.0006","9.025","0.0006","9.257","0.0007","69.48","0.004","69.496","0.004","84.874","0.004","631.29","0.08","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H9 Cu I N3 O -","- C11 H9 Cu I N3 O -","- C22 H18 Cu2 I2 N6 O2 -","2","1","","Argyle, Victoria J.; Roxburgh, Marina; Hanton, Lyall R.","Use of the oxime‒oximato binding mode to stabilise mixed valence copper iodide polymer networks using dipyridyl ketone oxime ligands","CrystEngComm","2014","16","28","6345","","10.1039/c3ce42481b","","","0.71069","MoKα","","0.0163","0.0154","","","0.0472","0.063","","","","","","1.397","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216843","12.6943","0.0003","32.7813","0.0007","24.8035","0.0005","90","","97.313","0.002","90","","10237.7","0.4","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C63 H66 Cu8 I8 N15 O7 -","- C63 H66 Cu8 I8 N15 O7 -","- C252 H264 Cu32 I32 N60 O28 -","4","0.5","","Argyle, Victoria J.; Roxburgh, Marina; Hanton, Lyall R.","Use of the oxime‒oximato binding mode to stabilise mixed valence copper iodide polymer networks using dipyridyl ketone oxime ligands","CrystEngComm","2014","16","28","6345","","10.1039/c3ce42481b","","","0.71069","MoKα","","0.0434","0.0364","","","0.0963","0.1006","","","","","","1.054","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216844","10.817","0.013","15.965","0.019","26.71","0.03","90","","112.31","0.04","90","","4267","9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H32 Cd2 N4 O10 -","- C48 H32 Cd2 N4 O10 -","- C192 H128 Cd8 N16 O40 -","4","1","","Hu, Fei-Long; Wang, Shu-Long; Wu, Bing; Yu, Hong; Wang, Fan; Lang, Jian-Ping","Ligand geometry-directed assembly of seven entangled coordination polymers","CrystEngComm","2014","16","28","6354","","10.1039/c3ce42545b","","","0.71073","MoKα","","0.0565","0.0319","","","0.0497","0.0553","","","","","","1.17","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216845","8.804","0.009","14.094","0.015","20.83","0.02","70.715","0.013","86.903","0.013","88.517","0.013","2436","4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H42 Co2 N8 O13 -","- C52 H34 Co2 N8 O13 -","- C104 H68 Co4 N16 O26 -","2","1","","Hu, Fei-Long; Wang, Shu-Long; Wu, Bing; Yu, Hong; Wang, Fan; Lang, Jian-Ping","Ligand geometry-directed assembly of seven entangled coordination polymers","CrystEngComm","2014","16","28","6354","","10.1039/c3ce42545b","","","0.71073","MoKα","","0.0878","0.0575","","","0.1452","0.1674","","","","","","1.013","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7216846","13.226","0.008","19.61","0.013","23.292","0.015","90","","101.312","0.007","90","","5924","7","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C57 H49 Mn3 N5 O20 -","- C57 H45 Mn3 N5 O20 -","- C228 H180 Mn12 N20 O80 -","4","1","","Hu, Fei-Long; Wang, Shu-Long; Wu, Bing; Yu, Hong; Wang, Fan; Lang, Jian-Ping","Ligand geometry-directed assembly of seven entangled coordination polymers","CrystEngComm","2014","16","28","6354","","10.1039/c3ce42545b","","","0.71073","MoKα","","0.0431","0.0399","","","0.1038","0.1067","","","","","","1.026","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216847","13.6","0.012","16.319","0.014","16.769","0.014","79.265","0.012","80.064","0.012","72.401","0.012","3458","5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H44 Mn2 N8 O10 -","- C64 H44 Mn2 N8 O10 -","- C128 H88 Mn4 N16 O20 -","2","1","","Hu, Fei-Long; Wang, Shu-Long; Wu, Bing; Yu, Hong; Wang, Fan; Lang, Jian-Ping","Ligand geometry-directed assembly of seven entangled coordination polymers","CrystEngComm","2014","16","28","6354","","10.1039/c3ce42545b","","","0.71073","MoKα","","0.1164","0.0561","","","0.0931","0.1031","","","","","","0.991","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216848","8.5322","0.0017","22.025","0.008","15.088","0.003","90","","90","","90","","2835.4","1.3","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C64 H46 Co2 N8 O11 -","- C64 H44 Co2 N8 O11 -","- C128 H88 Co4 N16 O22 -","2","0.25","","Hu, Fei-Long; Wang, Shu-Long; Wu, Bing; Yu, Hong; Wang, Fan; Lang, Jian-Ping","Ligand geometry-directed assembly of seven entangled coordination polymers","CrystEngComm","2014","16","28","6354","","10.1039/c3ce42545b","","","0.71073","MoKα","","0.1238","0.1162","","","0.2665","0.2721","","","","","","1.237","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216849","12.268","0.003","14.467","0.003","17.269","0.004","89.58","0.03","75.03","0.03","77.58","0.03","2887.8","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C132 H90 Co5 N6 O32 -","- C132 H90 Co5 N6 O32 -","- C132 H90 Co5 N6 O32 -","1","0.5","","Hu, Fei-Long; Wang, Shu-Long; Wu, Bing; Yu, Hong; Wang, Fan; Lang, Jian-Ping","Ligand geometry-directed assembly of seven entangled coordination polymers","CrystEngComm","2014","16","28","6354","","10.1039/c3ce42545b","","","0.71073","MoKα","","0.1203","0.0857","","","0.1844","0.2051","","","","","","1.128","","","","has coordinates,has disorder","180499","2020-10-21","18:00:00",""
"7216850","11.624","0.002","13.395","0.003","21.378","0.004","108.23","0.03","96.32","0.03","103.03","0.03","3020.9","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C126 H108 N10 Ni4 O29 -","- C126 H98 N10 Ni4 O29 -","- C126 H98 N10 Ni4 O29 -","1","0.5","","Hu, Fei-Long; Wang, Shu-Long; Wu, Bing; Yu, Hong; Wang, Fan; Lang, Jian-Ping","Ligand geometry-directed assembly of seven entangled coordination polymers","CrystEngComm","2014","16","28","6354","","10.1039/c3ce42545b","","","0.71073","MoKα","","0.116","0.0848","","","0.2499","0.2634","","","","","","1.024","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216851","8.2996","0.0005","31.6381","0.0018","27.3595","0.0016","90","","95.45","0.001","90","","7151.7","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H12 Ag14 F30 N6 O20 -","- C48 H12 Ag14 F30 N6 O20 -","- C192 H48 Ag56 F120 N24 O80 -","4","1","","Hu, Ting; Yang, Jin; Mak, Thomas C. W.","Assembly of organometallic networks with multinuclear silver(i)‒ethynediide supramolecular synthon, trifluoroacetate and ligands derived from isomeric dicyanobenzenes","CrystEngComm","2014","16","28","6316","","10.1039/c3ce41671b","","","0.71073","MoKα","","0.0907","0.0804","","","0.1952","0.2043","","","","","","1.099","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216852","19.8943","0.0009","26.2204","0.0012","17.9454","0.0013","90","","119.636","0.001","90","","8136.4","0.8","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H16 Ag15 F30 N9 O23 -","- C56 H16 Ag15 F30 N9 O23 -","- C224 H64 Ag60 F120 N36 O92 -","4","0.5","","Hu, Ting; Yang, Jin; Mak, Thomas C. W.","Assembly of organometallic networks with multinuclear silver(i)‒ethynediide supramolecular synthon, trifluoroacetate and ligands derived from isomeric dicyanobenzenes","CrystEngComm","2014","16","28","6316","","10.1039/c3ce41671b","","","0.71073","MoKα","","0.0623","0.054","","","0.1477","0.1573","","","","","","1.07","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216853","6.9041","0.0005","18.7425","0.0016","22.4191","0.0019","90","","97.687","0.001","90","","2875","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H12 Ag6 F6 O13 -","- C22 H12 Ag6 F6 O13 -","- C88 H48 Ag24 F24 O52 -","4","1","","Hu, Ting; Yang, Jin; Mak, Thomas C. W.","Assembly of organometallic networks with multinuclear silver(i)‒ethynediide supramolecular synthon, trifluoroacetate and ligands derived from isomeric dicyanobenzenes","CrystEngComm","2014","16","28","6316","","10.1039/c3ce41671b","","","0.71073","MoKα","","0.0589","0.0483","","","0.1261","0.136","","","","","","1.022","","","","has coordinates,has disorder","180499","2020-10-21","18:00:00",""
"7216854","18.999","0.003","17.422","0.002","8.2616","0.0011","90","","96.619","0.002","90","","2716.4","0.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H9 Ag6 F6 N O10 -","- C22 H9 Ag6 F6 N O10 -","- C88 H36 Ag24 F24 N4 O40 -","4","1","","Hu, Ting; Yang, Jin; Mak, Thomas C. W.","Assembly of organometallic networks with multinuclear silver(i)‒ethynediide supramolecular synthon, trifluoroacetate and ligands derived from isomeric dicyanobenzenes","CrystEngComm","2014","16","28","6316","","10.1039/c3ce41671b","","","0.71073","MoKα","","0.1126","0.0981","","","0.2317","0.2472","","","","","","1.077","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216855","8.2222","0.0007","16.2247","0.0014","16.4614","0.0014","93.275","0.002","95.797","0.001","97.895","0.001","2158.4","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H16 Ag8 F12 N2 O16 -","- C26 H8 Ag8 F12 N2 O16 -","- C52 H16 Ag16 F24 N4 O32 -","2","1","","Hu, Ting; Yang, Jin; Mak, Thomas C. W.","Assembly of organometallic networks with multinuclear silver(i)‒ethynediide supramolecular synthon, trifluoroacetate and ligands derived from isomeric dicyanobenzenes","CrystEngComm","2014","16","28","6316","","10.1039/c3ce41671b","","","0.71073","MoKα","","0.1017","0.0901","","","0.2299","0.2435","","","","","","1.052","","","","has coordinates,has disorder","180499","2020-10-21","18:00:00",""
"7216856","27.31","0.003","8.4645","0.0008","32.75","0.003","90","","109.776","0.002","90","","7124.2","1.2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H20 Ag16 F18 N4 O24 -","- C56 H20 Ag16 F18 N4 O24 -","- C224 H80 Ag64 F72 N16 O96 -","4","1","","Hu, Ting; Yang, Jin; Mak, Thomas C. W.","Assembly of organometallic networks with multinuclear silver(i)‒ethynediide supramolecular synthon, trifluoroacetate and ligands derived from isomeric dicyanobenzenes","CrystEngComm","2014","16","28","6316","","10.1039/c3ce41671b","","","0.71073","MoKα","","0.1059","0.0854","","","0.2163","0.2364","","","","","","1.114","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216857","23.0358","0.0018","11.6305","0.0009","14.5521","0.0012","90","","114.492","0.001","90","","3548","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 N2 O6 Zn -","- C18 H14 N2 O6 Zn -","- C144 H112 N16 O48 Zn8 -","8","1","","Cui, Pei-Pei; Zhao, Yue; Lv, Gao-Chao; Liu, Qing; Zhao, Xiao-Liang; Lu, Yi; Sun, Wei-Yin","Synthesis, characterization and selective hysteretic sorption property of metal‒organic frameworks with 3,5-di(pyridine-4-yl)benzoate","CrystEngComm","2014","16","28","6300","","10.1039/c3ce42260g","","","0.71073","MoKα","","0.0458","0.0394","","","0.1135","0.1183","","","","","","1.034","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216858","15.0968","0.0014","23.363","0.002","16.7676","0.0016","90","","90","","90","","5914","0.9","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C34 H22 Cd N4 O4 -","- C34 H22 Cd N4 O4 -","- C272 H176 Cd8 N32 O32 -","8","1","","Cui, Pei-Pei; Zhao, Yue; Lv, Gao-Chao; Liu, Qing; Zhao, Xiao-Liang; Lu, Yi; Sun, Wei-Yin","Synthesis, characterization and selective hysteretic sorption property of metal‒organic frameworks with 3,5-di(pyridine-4-yl)benzoate","CrystEngComm","2014","16","28","6300","","10.1039/c3ce42260g","","","0.71073","MoKα","","0.0613","0.0456","","","0.1353","0.1505","","","","","","1.053","","","","has coordinates,has disorder","180499","2020-10-21","18:00:00",""
"7216859","18.601","0.003","13.5351","0.0019","14.0326","0.0019","90","","94.773","0.002","90","","3520.7","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H15 Co N2 O5 -","- C21 H15 Co N2 O5 -","- C168 H120 Co8 N16 O40 -","8","1","","Cui, Pei-Pei; Zhao, Yue; Lv, Gao-Chao; Liu, Qing; Zhao, Xiao-Liang; Lu, Yi; Sun, Wei-Yin","Synthesis, characterization and selective hysteretic sorption property of metal‒organic frameworks with 3,5-di(pyridine-4-yl)benzoate","CrystEngComm","2014","16","28","6300","","10.1039/c3ce42260g","","","0.71073","MoKα","","0.1368","0.0512","","","0.1016","0.1307","","","","","","0.94","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216862","14.8357","0.0007","14.8357","0.0007","6.7854","0.0006","90","","90","","90","","1493.45","0.17","291","2","291","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C32 H16 Ca4 F16 O24 -","- C32 H16 Ca4 F16 O24 -","- C32 H16 Ca4 F16 O24 -","1","0.125","","Chen, Sheng-Chun; Tian, Feng; Huang, Kun-Lin; Li, Cheng-Peng; Zhong, Jing; He, Ming-Yang; Zhang, Zhi-Hui; Wang, Hong-Ning; Du, Miao; Chen, Qun","Solvent-mediated assembly of chiral/achiral hydrophilic Ca(ii)-tetrafluoroterephthalate coordination frameworks: 3D chiral water aggregation, structural transformation and selective CO2adsorption","CrystEngComm","2014","16","33","7673","","10.1039/C4CE01019A","","","0.71073","MoKα","","0.056","0.0525","","","0.1281","0.1287","","","","","","1.042","","","","has coordinates,has disorder","180499","2020-10-21","18:00:00",""
"7216863","10.95","0.02","17.7","0.03","7.843","0.015","90","","102.33","0.04","90","","1485","5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Ca F4 O6 -","- C10 H8 Ca F4 O6 -","- C40 H32 Ca4 F16 O24 -","4","0.5","","Chen, Sheng-Chun; Tian, Feng; Huang, Kun-Lin; Li, Cheng-Peng; Zhong, Jing; He, Ming-Yang; Zhang, Zhi-Hui; Wang, Hong-Ning; Du, Miao; Chen, Qun","Solvent-mediated assembly of chiral/achiral hydrophilic Ca(ii)-tetrafluoroterephthalate coordination frameworks: 3D chiral water aggregation, structural transformation and selective CO2adsorption","CrystEngComm","2014","16","33","7673","","10.1039/C4CE01019A","","","0.71073","MoKα","","0.0796","0.0639","","","0.1978","0.2168","","","","","","1.035","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216864","3.7395","0.0012","22.568","0.007","6.767","0.002","90","","93.286","0.006","90","","570.1","0.3","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C8 H8 Ca F4 O8 -","- C8 H8 Ca F4 O8 -","- C16 H16 Ca2 F8 O16 -","2","0.5","","Chen, Sheng-Chun; Tian, Feng; Huang, Kun-Lin; Li, Cheng-Peng; Zhong, Jing; He, Ming-Yang; Zhang, Zhi-Hui; Wang, Hong-Ning; Du, Miao; Chen, Qun","Solvent-mediated assembly of chiral/achiral hydrophilic Ca(ii)-tetrafluoroterephthalate coordination frameworks: 3D chiral water aggregation, structural transformation and selective CO2adsorption","CrystEngComm","2014","16","33","7673","","10.1039/C4CE01019A","","","0.71073","MoKα","","0.0302","0.0298","","","0.0791","0.0794","","","","","","1.067","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7217008","5.288","0.0001","31.171","0.002","11.312","0.001","90","","90.158","0.002","90","","1864.6","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H11.5 Br0.5 N O2 -","- C9 H11.5 Br0.5 N O2 -","- C72 H92 Br4 N8 O16 -","8","4","","Surekha, R.; Gunaseelan, R.; Sagayaraj, P.; Ambujam, K.","l-Phenylalaninel-phenylalaninium bromide ‒ a new nonlinear optical material","CrystEngComm","2014","16","34","7979","","10.1039/C4CE00718B","","","0.71073","MoKα","","0.0799","0.0578","","","0.1379","0.1475","","","","","","1.06","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7217013","12.9551","0.0002","11.293","0.00015","14.6992","0.0003","90","","115.648","0.002","90","","1938.63","0.06","110","2","110","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H19 N3 -","- C26 H19 N3 -","- C104 H76 N12 -","4","1","","Percino, M. Judith; Cerón, Margarita; Soriano-Moro, Guillermo; Castro, M. Eugenia; Chapela, Víctor M.; Bonilla, José; Reyes-Reyes, Marisol; López-Sandoval, Román","The effect of the supramolecular network of (Z)-3-(4-(diphenylamino)phenyl)-2-(pyridin-2-yl)-acrylonitrile on the fluorescence behavior of a single crystal: experimental and theoretical studies","CrystEngComm","2014","16","36","8591","","10.1039/C4CE00327F","","","0.71073","MoKα","","0.0427","0.038","","","0.0972","0.1","","","","","","1.066","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217023","9.6133","0.0002","45.6542","0.0012","10.5801","0.0003","90","","113.202","0.001","90","","4267.92","0.19","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C38 H39 N4 Ni O8.5 P2 S4 -","- C38 H39 N4 Ni O8.5 P2 S4 -","- C152 H156 N16 Ni4 O34 P8 S16 -","4","2","","Crespo Alonso, M.; Arca, M.; Isaia, F.; Lai, R.; Lippolis, V.; Callear, S. K.; Caricato, M.; Pasini, D.; Coles, S. J.; Aragoni, M. C.","Stereospecific generation of homochiral helices in coordination polymers built from enantiopure binaphthyl-based ligands","CrystEngComm","2014","16","36","8582","","10.1039/C4CE01101E","","","0.71073","MoKα","","0.0894","0.0587","","","0.1199","0.1325","","","","","","1.019","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7217024","15.332","0.002","8.6055","0.001","34.795","0.004","90","","90","","90","","4590.8","1","120","2","120","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C42 H46 N4 Ni O8 P2 S4 -","- C42 H46 N4 Ni O8 P2 S4 -","- C168 H184 N16 Ni4 O32 P8 S16 -","4","1","","Crespo Alonso, M.; Arca, M.; Isaia, F.; Lai, R.; Lippolis, V.; Callear, S. K.; Caricato, M.; Pasini, D.; Coles, S. J.; Aragoni, M. C.","Stereospecific generation of homochiral helices in coordination polymers built from enantiopure binaphthyl-based ligands","CrystEngComm","2014","16","36","8582","","10.1039/C4CE01101E","","","0.71073","MoKα","","0.2125","0.1495","","","0.2815","0.3147","","","","","","1.162","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217025","8.157","0.003","9.405","0.004","12.802","0.008","105.22","0.008","98.276","0.008","107.826","0.006","874.9","0.7","298","2","298","2","","","","","","","","5","P -1","-P 1","2","1","","","- C20 H15 Co N4 O5 -","- C20 H15 Co N4 O5 -","- C40 H30 Co2 N8 O10 -","2","1","","Su, Feng; Lu, Liping; Feng, Sisi; Zhu, Miaoli","Self-assembly and magnetic properties of Ni(ii)/Co(ii) coordination polymers based on 1,4-bis(imidazol-1-yl)benzene and varying biphenyltetracarboxylates","CrystEngComm","2014","16","34","7990","","10.1039/C4CE01020E","","","0.71073","MoKα","","0.0429","0.0321","","","0.0718","0.0765","","","","","","1.082","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217026","8.1587","0.0009","9.3411","0.0012","12.7338","0.0012","105.254","0.002","98.139","0.002","107.777","0.002","865.17","0.17","298","2","298","2","","","","","","","","5","P -1","-P 1","2","2","","","- C20 H15 N4 Ni O5 -","- C20 H15 N4 Ni O5 -","- C40 H30 N8 Ni2 O10 -","2","1","","Su, Feng; Lu, Liping; Feng, Sisi; Zhu, Miaoli","Self-assembly and magnetic properties of Ni(ii)/Co(ii) coordination polymers based on 1,4-bis(imidazol-1-yl)benzene and varying biphenyltetracarboxylates","CrystEngComm","2014","16","34","7990","","10.1039/C4CE01020E","","","0.71073","MoKα","","0.1183","0.0592","","","0.1375","0.1717","","","","","","0.851","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217027","11.0648","0.0016","12.6093","0.0017","15.0869","0.0017","90","","119.371","0.008","90","","1834.4","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3","","","- C20 H17 Co N4 O6 -","- C20 H17 Co N4 O6 -","- C80 H68 Co4 N16 O24 -","4","1","","Su, Feng; Lu, Liping; Feng, Sisi; Zhu, Miaoli","Self-assembly and magnetic properties of Ni(ii)/Co(ii) coordination polymers based on 1,4-bis(imidazol-1-yl)benzene and varying biphenyltetracarboxylates","CrystEngComm","2014","16","34","7990","","10.1039/C4CE01020E","","","0.71073","MoKα","","0.077","0.0402","","","0.0722","0.0854","","","","","","1.011","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217028","24.343","0.009","12.291","0.004","18.868","0.008","90","","121.369","0.01","90","","4820","3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","4","","","- C40 H48 N12 Ni2 O15 -","- C40 H48 N12 Ni2 O15 -","- C160 H192 N48 Ni8 O60 -","4","0.5","","Su, Feng; Lu, Liping; Feng, Sisi; Zhu, Miaoli","Self-assembly and magnetic properties of Ni(ii)/Co(ii) coordination polymers based on 1,4-bis(imidazol-1-yl)benzene and varying biphenyltetracarboxylates","CrystEngComm","2014","16","34","7990","","10.1039/C4CE01020E","","","0.71073","MoKα","","0.1017","0.0583","","","0.1464","0.1743","","","","","","1.028","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217029","24.579","0.005","11.8337","0.0018","18.816","0.003","90","","121.09","0.005","90","","4686.7","1.4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","5","","","- C26 H20 N6 Ni O5 -","- C26 H20 N6 Ni O5 -","- C208 H160 N48 Ni8 O40 -","8","1","","Su, Feng; Lu, Liping; Feng, Sisi; Zhu, Miaoli","Self-assembly and magnetic properties of Ni(ii)/Co(ii) coordination polymers based on 1,4-bis(imidazol-1-yl)benzene and varying biphenyltetracarboxylates","CrystEngComm","2014","16","34","7990","","10.1039/C4CE01020E","","","0.71073","MoKα","","0.1322","0.0751","","","0.2206","0.2673","","","","","","0.997","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217032","7.7413","0.0007","17.8726","0.0016","11.0065","0.001","90","","97.879","0.001","90","","1508.5","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","sulfacetamide4-aminopyridineSalt","N-4-aminophenylsulfonylacetamidePyridine-4-amine","","- C13 H16 N4 O3 S -","- C13 H16 N4 O3 S -","- C52 H64 N16 O12 S4 -","4","1","","Rajesh Goud, N.; Khan, Ronaq Ali; Nangia, Ashwini","Modulating the solubility of sulfacetamide by means of cocrystals","CrystEngComm","2014","16","26","5859","","10.1039/c4ce00103f","","","0.71073","MoKα","","0.0552","0.0496","","","0.1195","0.1226","","","","","","1.191","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217033","11.6469","0.0009","10.467","0.0006","12.4421","0.0009","90","","116.51","0.01","90","","1357.3","0.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","sulfacetamide4,4'bipyridinecocrystal","N-4-aminophenylsulfonylacetamide4,4'bipyridine","","- C13 H14 N3 O3 S -","- C13 H14 N3 O3 S -","- C52 H56 N12 O12 S4 -","4","1","","Rajesh Goud, N.; Khan, Ronaq Ali; Nangia, Ashwini","Modulating the solubility of sulfacetamide by means of cocrystals","CrystEngComm","2014","16","26","5859","","10.1039/c4ce00103f","","","0.71073","MoKα","","0.0501","0.0404","","","0.1059","0.1131","","","","","","1.035","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217034","7.1821","0.0006","30.43","0.003","8.8188","0.0007","90","","107.679","0.001","90","","1836.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","SulfacetamideCaffeinecocrystal","N-4-aminophenylsulfonylacetamide3,7-Dihydro-1,3,7-trimethyl-1H-purine-2,6-dione","","- C16 H20 N6 O5 S -","- C16 H20 N6 O5 S -","- C64 H80 N24 O20 S4 -","4","1","","Rajesh Goud, N.; Khan, Ronaq Ali; Nangia, Ashwini","Modulating the solubility of sulfacetamide by means of cocrystals","CrystEngComm","2014","16","26","5859","","10.1039/c4ce00103f","","","0.71073","MoKα","","0.0464","0.0436","","","0.1138","0.1158","","","","","","1.074","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217035","10.7667","0.0004","9.7508","0.0004","21.1014","0.0007","90","","96.176","0.003","90","","2202.45","0.14","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","SulfacetamideIsonicotinamidecocrystal","N-4-aminophenylsulfonylacetamidePyridine-4-carboxamide","","- C20 H22 N6 O5 S -","- C20 H22 N6 O5 S -","- C80 H88 N24 O20 S4 -","4","1","","Rajesh Goud, N.; Khan, Ronaq Ali; Nangia, Ashwini","Modulating the solubility of sulfacetamide by means of cocrystals","CrystEngComm","2014","16","26","5859","","10.1039/c4ce00103f","","","0.71073","MoKα","","0.0545","0.0407","","","0.0963","0.1057","","","","","","1.065","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217036","8.664","0.0007","14.9675","0.0013","15.3632","0.0015","110.234","0.002","106.365","0.001","97.283","0.001","1737.1","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","SulfacetamideTheophyllinecocrystal","N-4-aminophenylsulfonylacetamide1,3-dimethyl-7H-purine-2,6-dione","","- C15 H18 N6 O5 S -","- C15 H18 N6 O5 S -","- C60 H72 N24 O20 S4 -","4","2","","Rajesh Goud, N.; Khan, Ronaq Ali; Nangia, Ashwini","Modulating the solubility of sulfacetamide by means of cocrystals","CrystEngComm","2014","16","26","5859","","10.1039/c4ce00103f","","","0.71073","MoKα","","0.059","0.0505","","","0.1232","0.1297","","","","","","0.953","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217037","15.9288","0.0003","6.9261","0.0002","7.8324","0.0002","90","","90","","90","","864.11","0.04","170","2","170","2","","","","","","","","4","P n m a","-P 2ac 2n","62","1,1,3-trichloro-1H-isoindole","","","- C8 H4 Cl3 N -","- C8 H4 Cl3 N -","- C32 H16 Cl12 N4 -","4","0.5","","Ayhan, Mehmet Menaf; Zorlu, Yunus; Gökdemir, Özlem; Gürek, Ayşe Gül; Dumoulin, Fabienne; Ahsen, Vefa; Hirel, Catherine","Optimized synthesis and crystal growth by sublimation of 1,3,3-trichloroisoindolenines, key building blocks for crosswise phthalocyanines","CrystEngComm","2014","16","29","6556","","10.1039/c4ce00189c","","","0.71073","MoKα","","0.023","0.022","","","0.0615","0.0623","","","","","","1.172","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217038","7.8916","0.0007","7.1079","0.0007","9.4988","0.0011","90","","97.514","0.007","90","","528.24","0.09","299","2","299","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","1,1,3,4,5,6,7-heptachloro-1H-isoindole","","","- C8 H2 Cl5 N -","- C8 H2 Cl5 N -","- C16 H4 Cl10 N2 -","2","0.5","","Ayhan, Mehmet Menaf; Zorlu, Yunus; Gökdemir, Özlem; Gürek, Ayşe Gül; Dumoulin, Fabienne; Ahsen, Vefa; Hirel, Catherine","Optimized synthesis and crystal growth by sublimation of 1,3,3-trichloroisoindolenines, key building blocks for crosswise phthalocyanines","CrystEngComm","2014","16","29","6556","","10.1039/c4ce00189c","","","0.71073","MoKα","","0.0376","0.0322","","","0.0946","0.0984","","","","","","1.143","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217039","7.408","0.001","14.011","0.002","21.402","0.004","90","","90","","90","","2221.4","0.6","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","{[Cu2(Hsersal)2(H2O)].H2O}n","","","- C20 H26 Cu2 N2 O10 -","- C20 H26 Cu2 N2 O10 -","- C80 H104 Cu8 N8 O40 -","4","1","","Kumar, Navnita; Khullar, Sadhika; Singh, Yogesh; Mandal, Sanjay K.","Hierarchical importance of coordination and hydrogen bonds in the formation of homochiral 2D coordination polymers and 2D supramolecular assemblies","CrystEngComm","2014","16","29","6730","","10.1039/c4ce00387j","","","0.71073","MoKα","","0.0561","0.0415","","","0.0882","0.0954","","","","","","0.966","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217040","7.4137","0.0004","13.3645","0.0007","13.4407","0.0007","90","","103.816","0.002","90","","1293.18","0.12","180","2","180","2","","","","","","","","6","P 1 21 1","P 2yb","4","[Cu2(Hser-5Cl-sal)2(H2O)].CH3OH","","","- C21 H26 Cl2 Cu2 N2 O10 -","- C21 H26 Cl2 Cu2 N2 O10 -","- C42 H52 Cl4 Cu4 N4 O20 -","2","1","","Kumar, Navnita; Khullar, Sadhika; Singh, Yogesh; Mandal, Sanjay K.","Hierarchical importance of coordination and hydrogen bonds in the formation of homochiral 2D coordination polymers and 2D supramolecular assemblies","CrystEngComm","2014","16","29","6730","","10.1039/c4ce00387j","","","0.71073","MoKα","","0.0213","0.0202","","","0.0408","0.041","","","","","","1.148","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217041","25.187","0.005","6.6672","0.0013","10.488","0.002","90","","100.653","0.011","90","","1730.9","0.6","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","[Cu2(4,4?-bpy)(Hsersal)2].2H2O","","","- C30 H34 Cu2 N4 O10 -","- C30 H30 Cu2 N4 O10 -","- C60 H60 Cu4 N8 O20 -","2","0.5","","Kumar, Navnita; Khullar, Sadhika; Singh, Yogesh; Mandal, Sanjay K.","Hierarchical importance of coordination and hydrogen bonds in the formation of homochiral 2D coordination polymers and 2D supramolecular assemblies","CrystEngComm","2014","16","29","6730","","10.1039/c4ce00387j","","","0.71073","MoKα","","0.0558","0.0524","","","0.1632","0.1657","","","","","","1.091","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217042","24.8013","0.0018","6.8049","0.0006","10.5081","0.0007","90","","100.988","0.004","90","","1740.9","0.2","180","2","180","2","","","","","","","","5","C 1 2 1","C 2y","5","[Cu2(4,4'-bpy)(Hser-5-OMe-sal)2].CH3OH","","","- C33 H38 Cu2 N4 O11 -","- C33 H37 Cu2 N4 O11 -","- C66 H74 Cu4 N8 O22 -","2","0.5","","Kumar, Navnita; Khullar, Sadhika; Singh, Yogesh; Mandal, Sanjay K.","Hierarchical importance of coordination and hydrogen bonds in the formation of homochiral 2D coordination polymers and 2D supramolecular assemblies","CrystEngComm","2014","16","29","6730","","10.1039/c4ce00387j","","","0.71073","MoKα","","0.0534","0.049","","","0.1434","0.1518","","","","","","1.098","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217043","23.4854","0.0018","6.8789","0.0005","13.6839","0.0011","90","","101.685","0.004","90","","2164.9","0.3","180","2","180","2","","","","","","","","6","C 1 2 1","C 2y","5","[Cu2(4,4'-bpy)(Hser-5-NO2-sal)2].3DMSO","","","- C36 H46 Cu2 N6 O15 S3 -","- C36 H40 Cu2 N6 O15 S3 -","- C72 H80 Cu4 N12 O30 S6 -","2","0.5","","Kumar, Navnita; Khullar, Sadhika; Singh, Yogesh; Mandal, Sanjay K.","Hierarchical importance of coordination and hydrogen bonds in the formation of homochiral 2D coordination polymers and 2D supramolecular assemblies","CrystEngComm","2014","16","29","6730","","10.1039/c4ce00387j","","","0.71073","MoKα","","0.0654","0.0494","","","0.1315","0.1451","","","","","","0.935","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217044","6.8225","0.0006","8.6115","0.0009","10.7203","0.0012","67.906","0.01","86.057","0.008","78.308","0.008","571.46","0.11","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C11 H9 F N2 O5 -","- C11 H9 F N2 O5 -","- C22 H18 F2 N4 O10 -","2","1","","Li, Song; Chen, Jia-Mei; Lu, Tong-Bu","Synthon polymorphs of 1 : 1 co-crystal of 5-fluorouracil and 4-hydroxybenzoic acid: their relative stability and solvent polarity dependence of grinding outcomes","CrystEngComm","2014","16","28","6450","","10.1039/c4ce00221k","","","1.54178","CuKα","","0.063","0.0456","","","0.1106","0.1266","","","","","","1.054","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217045","7.0356","0.0003","14.9022","0.0013","10.2665","0.0004","90","","99.418","0.004","90","","1061.89","0.11","150.02","0.11","150.02","0.11","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 F N2 O5 -","- C11 H9 F N2 O5 -","- C44 H36 F4 N8 O20 -","4","1","","Li, Song; Chen, Jia-Mei; Lu, Tong-Bu","Synthon polymorphs of 1 : 1 co-crystal of 5-fluorouracil and 4-hydroxybenzoic acid: their relative stability and solvent polarity dependence of grinding outcomes","CrystEngComm","2014","16","28","6450","","10.1039/c4ce00221k","","","1.54178","CuKα","","0.1014","0.0617","","","0.149","0.1844","","","","","","1.055","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217046","18.65","0.03","7.982","0.011","27.53","0.04","90","","109.469","0.016","90","","3864","10","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H32 Cd2 N4 O18 -","- C41 H32 Cd2 N4 O18 -","- C164 H128 Cd8 N16 O72 -","4","0.5","","Chang, Xin-Hong; Zhao, Ying; Han, Min-Le; Ma, Lu-Fang; Wang, Li-Ya","Five Cd(ii) coordination polymers based on 2,3′,5,5′-biphenyltetracarboxylic acid and N-donor coligands: syntheses, structures and fluorescent properties","CrystEngComm","2014","16","28","6417","","10.1039/c4ce00355a","","","0.71073","MoKα","","0.1269","0.0806","","","0.1987","0.2398","","","","","","1.064","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217047","10.3863","0.0012","12.9737","0.0015","10.8834","0.0013","90","","113.582","0.001","90","","1344.1","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H24 Cd2 N4 O10 -","- C26 H24 Cd2 N4 O10 -","- C52 H48 Cd4 N8 O20 -","2","1","","Chang, Xin-Hong; Zhao, Ying; Han, Min-Le; Ma, Lu-Fang; Wang, Li-Ya","Five Cd(ii) coordination polymers based on 2,3′,5,5′-biphenyltetracarboxylic acid and N-donor coligands: syntheses, structures and fluorescent properties","CrystEngComm","2014","16","28","6417","","10.1039/c4ce00355a","","","0.71073","MoKα","","0.0191","0.0182","","","0.0388","0.0391","","","","","","1.032","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217048","11.128","0.005","14.055","0.006","22.979","0.01","90","","103.992","0.005","90","","3487","3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H30 Cd2 N4 O13 -","- C30 H30 Cd2 N4 O13 -","- C120 H120 Cd8 N16 O52 -","4","1","","Chang, Xin-Hong; Zhao, Ying; Han, Min-Le; Ma, Lu-Fang; Wang, Li-Ya","Five Cd(ii) coordination polymers based on 2,3′,5,5′-biphenyltetracarboxylic acid and N-donor coligands: syntheses, structures and fluorescent properties","CrystEngComm","2014","16","28","6417","","10.1039/c4ce00355a","","","0.71073","MoKα","","0.0454","0.0305","","","0.064","0.0698","","","","","","1.028","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217049","17.246","0.006","17.018","0.006","10.945","0.004","90","","91.414","0.004","90","","3211","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 Cd N4 O9 -","- C36 H28 Cd N4 O9 -","- C144 H112 Cd4 N16 O36 -","4","1","","Chang, Xin-Hong; Zhao, Ying; Han, Min-Le; Ma, Lu-Fang; Wang, Li-Ya","Five Cd(ii) coordination polymers based on 2,3′,5,5′-biphenyltetracarboxylic acid and N-donor coligands: syntheses, structures and fluorescent properties","CrystEngComm","2014","16","28","6417","","10.1039/c4ce00355a","","","0.71073","MoKα","","0.0624","0.037","","","0.0665","0.0753","","","","","","1.021","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217050","13.3294","0.0017","16.202","0.002","20.283","0.003","90","","99.496","0.002","90","","4320.4","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H20 Cd2 N6 O9 -","- C31 H20 Cd2 N6 O9 -","- C124 H80 Cd8 N24 O36 -","4","1","","Chang, Xin-Hong; Zhao, Ying; Han, Min-Le; Ma, Lu-Fang; Wang, Li-Ya","Five Cd(ii) coordination polymers based on 2,3′,5,5′-biphenyltetracarboxylic acid and N-donor coligands: syntheses, structures and fluorescent properties","CrystEngComm","2014","16","28","6417","","10.1039/c4ce00355a","","","0.71073","MoKα","","0.1021","0.059","","","0.1463","0.1622","","","","","","0.987","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217051","32.366","0.005","32.366","0.005","32.366","0.005","90","","90","","90","","33905","9","173","2","173","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C312 H176 N8 O148 Zn28 -","- C312 H120 O124 Zn28 -","- C312 H120 O124 Zn28 -","1","0.0208333","","Kim, Dongwook; Liu, Xinfang; Oh, Minhak; Song, Xiaokai; Zou, Yang; Singh, Devendra; Kim, Kwang S.; Lah, Myoung Soo","Isoreticular MOFs based on a rhombic dodecahedral MOP as a tertiary building unit","CrystEngComm","2014","16","28","6391","","10.1039/c4ce00017j","","","0.71073","MoKα","","0.3461","0.2841","","","0.5272","0.556","","","","","","1.693","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217052","31.102","0.004","31.102","0.004","31.102","0.004","90","","90","","90","","30086","7","100","2","100","2","","","","","","","","5","P m -3","-P 2 2 3","200","","","","- C288 H200 N32 O172 Zn28 -","- C288 H144 N24 O148 Zn28 -","- C288 H144 N24 O148 Zn28 -","1","0.0416667","","Kim, Dongwook; Liu, Xinfang; Oh, Minhak; Song, Xiaokai; Zou, Yang; Singh, Devendra; Kim, Kwang S.; Lah, Myoung Soo","Isoreticular MOFs based on a rhombic dodecahedral MOP as a tertiary building unit","CrystEngComm","2014","16","28","6391","","10.1039/c4ce00017j","","","1","synchrotron","","0.1366","0.1101","","","0.266","0.2876","","","","","","1.062","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7217053","7.8156","0.0008","10.3153","0.0017","20.747","0.002","101.272","0.011","100.209","0.008","97.106","0.012","1592.5","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H38 Cu N2 O6 -","- C34 H38 Cu N2 O6 -","- C68 H76 Cu2 N4 O12 -","2","1","","Banerjee, Subarna; Rajakannu, Palanisamy; Butcher, Raymond J.; Murugavel, Ramaswamy","Auxiliary ligand-aided tuning of aggregation of transition metal benzoates: isolation of four different types of coordination polymers","CrystEngComm","2014","16","36","8429","","10.1039/C4CE01043D","","","0.71073","MoKα","","0.0854","0.0467","","","0.1188","0.1336","","","","","","1.029","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217054","31.05","0.14","9.83","0.04","20.58","0.09","90","","101.19","0.08","90","","6162","5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C70 H76 Mn2 N4 O10 -","- C70 H76 Mn2 N4 O10 -","- C280 H304 Mn8 N16 O40 -","4","0.5","","Banerjee, Subarna; Rajakannu, Palanisamy; Butcher, Raymond J.; Murugavel, Ramaswamy","Auxiliary ligand-aided tuning of aggregation of transition metal benzoates: isolation of four different types of coordination polymers","CrystEngComm","2014","16","36","8429","","10.1039/C4CE01043D","","","0.71073","MoKα","","0.0687","0.0577","","","0.1522","0.1628","","","","","","1.057","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217055","31.01","0.07","9.72","0.02","20.78","0.05","90","","101.99","0.03","90","","6127","2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H76 N4 O12 Zn2 -","- C68 H76 N4 O12 Zn2 -","- C272 H304 N16 O48 Zn8 -","4","0.5","","Banerjee, Subarna; Rajakannu, Palanisamy; Butcher, Raymond J.; Murugavel, Ramaswamy","Auxiliary ligand-aided tuning of aggregation of transition metal benzoates: isolation of four different types of coordination polymers","CrystEngComm","2014","16","36","8429","","10.1039/C4CE01043D","","","0.71073","MoKα","","0.0519","0.0479","","","0.1346","0.1456","","","","","","1.191","","","","has coordinates,has disorder","180501","2020-10-21","18:00:00",""
"7217056","20.2631","0.0003","20.2631","0.0003","13.8155","0.0005","90","","90","","90","","5672.6","0.2","150","2","150","2","","","","","","","","5","I 41","I 4bw","80","","","","- C32 H32 Mn N2 O5 -","- C32 H32 Mn N2 O5 -","- C256 H256 Mn8 N16 O40 -","8","1","","Banerjee, Subarna; Rajakannu, Palanisamy; Butcher, Raymond J.; Murugavel, Ramaswamy","Auxiliary ligand-aided tuning of aggregation of transition metal benzoates: isolation of four different types of coordination polymers","CrystEngComm","2014","16","36","8429","","10.1039/C4CE01043D","","","0.71073","MoKα","","0.0319","0.0273","","","0.0614","0.0631","","","","","","1.019","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217057","20.572","0.0008","20.572","0.0014","13.725","0.002","90","","90","","90","","5808.5","1","293","2","293","2","","","","","","","","5","I 41","I 4bw","80","","","","- C32 H32 Cu N2 O5 -","- C32 H32 Cu N2 O5 -","- C256 H256 Cu8 N16 O40 -","8","1","","Banerjee, Subarna; Rajakannu, Palanisamy; Butcher, Raymond J.; Murugavel, Ramaswamy","Auxiliary ligand-aided tuning of aggregation of transition metal benzoates: isolation of four different types of coordination polymers","CrystEngComm","2014","16","36","8429","","10.1039/C4CE01043D","","","0.71073","MoKα","","0.1035","0.0432","","","0.091","0.1063","","","","","","1.023","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7217058","12.0429","0.0009","11.3433","0.0005","14.8837","0.0007","90","","98.784","0.005","90","","2009.4","0.2","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C42 H54 N2 O4 Zn -","- C42 H54 N2 O4 Zn -","- C84 H108 N4 O8 Zn2 -","2","0.25","","Banerjee, Subarna; Rajakannu, Palanisamy; Butcher, Raymond J.; Murugavel, Ramaswamy","Auxiliary ligand-aided tuning of aggregation of transition metal benzoates: isolation of four different types of coordination polymers","CrystEngComm","2014","16","36","8429","","10.1039/C4CE01043D","","","0.71073","MoKα","","0.0504","0.0383","","","0.1023","0.1075","","","","","","1.064","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217059","13.211","0.008","11.69","0.007","14.445","0.009","90","","99.835","0.011","90","","2198","2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 Mn N2 O5 -","- C23 H26 Mn N2 O5 -","- C92 H104 Mn4 N8 O20 -","4","1","","Banerjee, Subarna; Rajakannu, Palanisamy; Butcher, Raymond J.; Murugavel, Ramaswamy","Auxiliary ligand-aided tuning of aggregation of transition metal benzoates: isolation of four different types of coordination polymers","CrystEngComm","2014","16","36","8429","","10.1039/C4CE01043D","","","0.71075","MoKα","","0.0954","0.0814","","","0.1557","0.1625","","","","","","1.194","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217060","28.204","0.0018","11.495","0.0015","15.042","0.0009","90","","114.001","0.005","90","","4455","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H50 N4 O9 S Zn2 -","- C46 H50 N4 O9 S Zn2 -","- C184 H200 N16 O36 S4 Zn8 -","4","0.5","","Banerjee, Subarna; Rajakannu, Palanisamy; Butcher, Raymond J.; Murugavel, Ramaswamy","Auxiliary ligand-aided tuning of aggregation of transition metal benzoates: isolation of four different types of coordination polymers","CrystEngComm","2014","16","36","8429","","10.1039/C4CE01043D","","","0.71073","MoKα","","0.0561","0.0321","","","0.0793","0.0882","","","","","","1.044","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7217061","22.74","0.12","28.36","0.13","10.39","0.05","90","","101.66","0.08","90","","6562","6","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H28 N2 O8 P2 Zn -","- C34 H28 N2 O8 P2 Zn -","- C272 H224 N16 O64 P16 Zn8 -","8","1","","Banerjee, Subarna; Rajakannu, Palanisamy; Butcher, Raymond J.; Murugavel, Ramaswamy","Auxiliary ligand-aided tuning of aggregation of transition metal benzoates: isolation of four different types of coordination polymers","CrystEngComm","2014","16","36","8429","","10.1039/C4CE01043D","","","0.71073","MoKα","","0.1634","0.1326","","","0.3206","0.3494","","","","","","1.31","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217062","9.6304","0.0007","9.6386","0.0007","10.013","0.0007","85.443","0.001","72.785","0.001","72.761","0.001","847.89","0.11","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H21 N5 O14 S2 Sm2 -","- C34 H21 N5 O14 S2 Sm2 -","- C34 H21 N5 O14 S2 Sm2 -","1","0.5","","Zhang, Yi-Hua; Li, Xia; Song, Shuang; Yang, Hong-Yu; Ma, Dou; Liu, Yi-Heng","Lanthanide coordination frameworks: crystal structure, down- and up-conversion luminescence and white light emission","CrystEngComm","2014","16","36","8390","","10.1039/C4CE00923A","","","0.71073","MoKα","","0.028","0.0253","","","0.0607","0.0624","","","","","","1.038","","","","has coordinates,has disorder","180501","2020-10-21","18:00:00",""
"7217063","10.551","0.002","10.62","0.002","15.094","0.004","74.956","0.018","69.597","0.011","72.234","0.011","1487.2","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H21 Eu N5 O8 S2 -","- C31 H21 Eu N5 O8 S2 -","- C62 H42 Eu2 N10 O16 S4 -","2","1","","Zhang, Yi-Hua; Li, Xia; Song, Shuang; Yang, Hong-Yu; Ma, Dou; Liu, Yi-Heng","Lanthanide coordination frameworks: crystal structure, down- and up-conversion luminescence and white light emission","CrystEngComm","2014","16","36","8390","","10.1039/C4CE00923A","","","0.71073","MoKα","","0.0879","0.0568","","","0.128","0.1412","","","","","","1.083","","","","has coordinates,has disorder","180501","2020-10-21","18:00:00",""
"7217064","10.544","0.0014","10.5785","0.0015","15.068","0.002","92.469","0.003","110.42","0.002","107.942","0.003","1476.9","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H21 Gd N5 O8 S2 -","- C31 H21 Gd N5 O8 S2 -","- C62 H42 Gd2 N10 O16 S4 -","2","1","","Zhang, Yi-Hua; Li, Xia; Song, Shuang; Yang, Hong-Yu; Ma, Dou; Liu, Yi-Heng","Lanthanide coordination frameworks: crystal structure, down- and up-conversion luminescence and white light emission","CrystEngComm","2014","16","36","8390","","10.1039/C4CE00923A","","","0.71073","MoKα","","0.0827","0.0568","","","0.1091","0.1215","","","","","","1.012","","","","has coordinates,has disorder","180501","2020-10-21","18:00:00",""
"7217065","10.5381","0.0014","10.5712","0.0013","15.041","0.002","75.114","0.004","69.497","0.002","72.006","0.002","1471.7","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H21 N5 O8 S2 Tb -","- C31 H21 N5 O8 S2 Tb -","- C62 H42 N10 O16 S4 Tb2 -","2","1","","Zhang, Yi-Hua; Li, Xia; Song, Shuang; Yang, Hong-Yu; Ma, Dou; Liu, Yi-Heng","Lanthanide coordination frameworks: crystal structure, down- and up-conversion luminescence and white light emission","CrystEngComm","2014","16","36","8390","","10.1039/C4CE00923A","","","0.71073","MoKα","","0.0875","0.0583","","","0.1155","0.1308","","","","","","0.999","","","","has coordinates,has disorder","180501","2020-10-21","18:00:00",""
"7217066","10.542","0.003","10.561","0.003","14.961","0.004","75.527","0.006","69.711","0.006","71.721","0.006","1464.7","0.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H21 Er N5 O8 S2 -","- C31 H21 Er N5 O8 S2 -","- C62 H42 Er2 N10 O16 S4 -","2","1","","Zhang, Yi-Hua; Li, Xia; Song, Shuang; Yang, Hong-Yu; Ma, Dou; Liu, Yi-Heng","Lanthanide coordination frameworks: crystal structure, down- and up-conversion luminescence and white light emission","CrystEngComm","2014","16","36","8390","","10.1039/C4CE00923A","","","0.71073","MoKα","","0.1437","0.0818","","","0.1494","0.1837","","","","","","0.956","","","","has coordinates,has disorder","180501","2020-10-21","18:00:00",""
"7217067","10.5522","0.0009","10.5726","0.001","14.9134","0.0013","75.774","0.002","69.835","0.001","71.559","0.001","1464.1","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H21 N5 O8 S2 Yb -","- C31 H21 N5 O8 S2 Yb -","- C62 H42 N10 O16 S4 Yb2 -","2","1","","Zhang, Yi-Hua; Li, Xia; Song, Shuang; Yang, Hong-Yu; Ma, Dou; Liu, Yi-Heng","Lanthanide coordination frameworks: crystal structure, down- and up-conversion luminescence and white light emission","CrystEngComm","2014","16","36","8390","","10.1039/C4CE00923A","","","0.71073","MoKα","","0.0393","0.0333","","","0.0811","0.0849","","","","","","0.98","","","","has coordinates,has disorder","180501","2020-10-21","18:00:00",""
"7217068","9.2918","0.0008","20.1508","0.0017","25.42","0.002","90","","90","","90","","4759.6","0.7","133","2","133","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C58 H54 Cl2 O2 P2 Pd -","- C58 H54 Cl2 O2 P2 Pd -","- C232 H216 Cl8 O8 P8 Pd4 -","4","1","","Wang, Hui; Hu, Ruo Xin; Pang, Xue; Gao, Hai Yue; Jin, Wei Jun","The phosphorescent co-crystals of 1,4-diiodotetrafluorobenzene and bent 3-ring-N-heterocyclic hydrocarbons by C‒I⋯N and C‒I⋯π halogen bonds","CrystEngComm","2014","16","34","7942","","10.1039/C4CE00813H","","","0.71073","MoKα","","0.0297","0.0258","","","0.0599","0.0621","","","","","","1.015","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217069","9.7484","0.0007","19.9815","0.0015","25.907","0.0019","90","","90","","90","","5046.4","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C59 H55 Cl O2 P2 Pd -","- C59 H55 Cl O2 P2 Pd -","- C236 H220 Cl4 O8 P8 Pd4 -","4","1","","Wang, Hui; Hu, Ruo Xin; Pang, Xue; Gao, Hai Yue; Jin, Wei Jun","The phosphorescent co-crystals of 1,4-diiodotetrafluorobenzene and bent 3-ring-N-heterocyclic hydrocarbons by C‒I⋯N and C‒I⋯π halogen bonds","CrystEngComm","2014","16","34","7942","","10.1039/C4CE00813H","","","0.71073","MoKα","","0.0349","0.0311","","","0.0744","0.0761","","","","","","1.036","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217070","11.3703","0.0005","18.4887","0.001","13.6456","0.0008","90","","113.629","0.003","90","","2628.1","0.2","143","2","416","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C56 H55 Cl O8 P2 Pd -","- C56 H55 Cl O8 P2 Pd -","- C112 H110 Cl2 O16 P4 Pd2 -","2","1","","Wang, Hui; Hu, Ruo Xin; Pang, Xue; Gao, Hai Yue; Jin, Wei Jun","The phosphorescent co-crystals of 1,4-diiodotetrafluorobenzene and bent 3-ring-N-heterocyclic hydrocarbons by C‒I⋯N and C‒I⋯π halogen bonds","CrystEngComm","2014","16","34","7942","","10.1039/C4CE00813H","","","1.54178","CuKα","","0.1837","0.0896","","","0.2273","0.2672","","","","","","0.932","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217071","25.8844","0.0002","14.2964","0.0002","14.2795","0.0002","90","","122.98","0.01","90","","4432.7","0.5","298","2","298","","","","100","","","","","4","C 1 2 1","C 2y","5","Rifampicin","(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17,27,29-pentahydroxy-11- methoxy-3,7,12,14,16,18,22-heptamethyl-26-{(E)-[(4-methylpiperazin-1-yl)imino] methyl}-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1 (28),2,4,9,19,21,25(29),26-octaen-13-yl acetate","","- C43 H58 N4 O12 -","- C43 H58 N4 O12 -","- C172 H232 N16 O48 -","4","1","","Ibiapino, Amanda Laura; Seiceira, Rafael Cardoso; Pitaluga, Altivo; Trindade, Antonio Carlos; Ferreira, Fabio Furlan","Structural characterization of form I of anhydrous rifampicin","CrystEngComm","2014","16","36","8555","","10.1039/C4CE01157K","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","0.00847","0.01984","1.767","","","","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217074","21.9035","0.0006","14.5496","0.0004","27.9653","0.0006","90","","90","","90","","8912.2","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H41 Cd3 N3 O21 -","- C42 H41 Cd3 N3 O21 -","- C336 H328 Cd24 N24 O168 -","8","1","","Yang, De-Liang; Zhang, Xin; Yao, Yuan-Gen; Zhang, Jian","Structure versatility of coordination polymers constructed from a semirigid ligand and polynuclear metal clusters","CrystEngComm","2014","16","34","8047","","10.1039/C4CE01032A","","","0.71073","MoKα","","0.0709","0.0492","","","0.1372","0.1608","","","","","","0.999","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217075","12.0047","0.0007","10.9563","0.0007","21.0767","0.0015","90","","106.389","0.007","90","","2659.5","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 Ca Cd N2 O11 -","- C24 H24 Ca Cd N2 O11 -","- C96 H96 Ca4 Cd4 N8 O44 -","4","1","","Yang, De-Liang; Zhang, Xin; Yao, Yuan-Gen; Zhang, Jian","Structure versatility of coordination polymers constructed from a semirigid ligand and polynuclear metal clusters","CrystEngComm","2014","16","34","8047","","10.1039/C4CE01032A","","","0.71073","MoKα","","0.0465","0.0362","","","0.0804","0.0868","","","","","","1.099","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217076","9.9912","0.0003","21.7677","0.0009","10.2461","0.0004","90","","91.975","0.003","90","","2227.05","0.14","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H19 Ca Cd N O12 -","- C20 H19 Ca Cd N O12 -","- C80 H76 Ca4 Cd4 N4 O48 -","4","1","","Yang, De-Liang; Zhang, Xin; Yao, Yuan-Gen; Zhang, Jian","Structure versatility of coordination polymers constructed from a semirigid ligand and polynuclear metal clusters","CrystEngComm","2014","16","34","8047","","10.1039/C4CE01032A","","","0.71073","MoKα","","0.0407","0.0322","","","0.068","0.0728","","","","","","1.05","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217077","10.2726","0.0004","13.3346","0.0005","15.2745","0.0006","100.554","0.004","107.524","0.004","99.341","0.003","1907.96","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H28 Ba2 N O22 Zn0 -","- C36 H28 Ba2 N O22 -","- C72 H56 Ba4 N2 O44 -","2","1","","Yang, De-Liang; Zhang, Xin; Yao, Yuan-Gen; Zhang, Jian","Structure versatility of coordination polymers constructed from a semirigid ligand and polynuclear metal clusters","CrystEngComm","2014","16","34","8047","","10.1039/C4CE01032A","","","0.71073","MoKα","","0.0418","0.0328","","","0.0769","0.0824","","","","","","1.03","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217078","10.2724","0.0006","13.3126","0.0007","15.2949","0.001","100.307","0.005","107.572","0.006","100.414","0.005","1899.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H28 Ba2 N O22 -","- C35 H28 Ba2 N O22 -","- C70 H56 Ba4 N2 O44 -","2","1","","Yang, De-Liang; Zhang, Xin; Yao, Yuan-Gen; Zhang, Jian","Structure versatility of coordination polymers constructed from a semirigid ligand and polynuclear metal clusters","CrystEngComm","2014","16","34","8047","","10.1039/C4CE01032A","","","0.71073","MoKα","","0.0672","0.0447","","","0.0941","0.1102","","","","","","1.006","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217081","9.8077","0.0009","5.595","0.0005","16.0481","0.0015","90","","91.848","0.002","90","","880.17","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 O8 P2 U -","- C14 H12 O8 P2 U -","- C28 H24 O16 P4 U2 -","2","0.5","","Yang, Weiting; Wang, Hao; Du, Zi-Yi; Tian, Wan-Guo; Sun, Zhong-Ming","Isolation of a series of uranium organophosphinates","CrystEngComm","2014","16","34","8073","","10.1039/C4CE01172D","","","0.71073","MoKα","","0.0774","0.0378","","","0.0777","0.0944","","","","","","0.962","","","","has coordinates,has disorder","180501","2020-10-21","18:00:00",""
"7217082","9.382","0.002","11.204","0.003","12.243","0.003","67.981","0.006","85.397","0.006","71.885","0.006","1133","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H42 N4 O16 P4 U2 -","- C40 H42 N4 O16 P4 U2 -","- C40 H42 N4 O16 P4 U2 -","1","0.5","","Yang, Weiting; Wang, Hao; Du, Zi-Yi; Tian, Wan-Guo; Sun, Zhong-Ming","Isolation of a series of uranium organophosphinates","CrystEngComm","2014","16","34","8073","","10.1039/C4CE01172D","","","0.71073","MoKα","","0.0626","0.0469","","","0.0802","0.0872","","","","","","0.983","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217083","10.5513","0.0007","17.4551","0.0011","11.0376","0.0007","90","","118.459","0.001","90","","1787.2","0.2","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C14 H13 N2 O7 P U -","- C14 H11 N2 O7 P U -","- C56 H44 N8 O28 P4 U4 -","4","1","","Yang, Weiting; Wang, Hao; Du, Zi-Yi; Tian, Wan-Guo; Sun, Zhong-Ming","Isolation of a series of uranium organophosphinates","CrystEngComm","2014","16","34","8073","","10.1039/C4CE01172D","","","0.71073","MoKα","","0.0514","0.0354","","","0.0966","0.1065","","","","","","1.056","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217084","21.949","0.006","17.918","0.004","24.002","0.006","90","","113.989","0.004","90","","8624","4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C76 H74 N4 O34 P6 U4 -","- C76 H74 N4 O34 P6 U4 -","- C304 H296 N16 O136 P24 U16 -","4","1","","Yang, Weiting; Wang, Hao; Du, Zi-Yi; Tian, Wan-Guo; Sun, Zhong-Ming","Isolation of a series of uranium organophosphinates","CrystEngComm","2014","16","34","8073","","10.1039/C4CE01172D","","","0.71073","MoKα","","0.1119","0.0515","","","0.114","0.1398","","","","","","0.954","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217085","8.946","0.006","11.706","0.007","13.404","0.008","87.195","0.01","76.239","0.012","85.236","0.012","1358.1","1.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H22 N2 O7 P U -","- C27 H22 N2 O7 P U -","- C54 H44 N4 O14 P2 U2 -","2","1","","Yang, Weiting; Wang, Hao; Du, Zi-Yi; Tian, Wan-Guo; Sun, Zhong-Ming","Isolation of a series of uranium organophosphinates","CrystEngComm","2014","16","34","8073","","10.1039/C4CE01172D","","","0.71073","MoKα","","0.0703","0.0515","","","0.1123","0.1217","","","","","","1.016","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217090","25.3903","0.0015","14.1304","0.0006","9.1996","0.0006","90","","99.658","0.005","90","","3253.8","0.3","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H9 Br Hg I2 N2 O -","- C12 H9 Br Hg I2 N2 O -","- C96 H72 Br8 Hg8 I16 N16 O8 -","8","1","","Khavasi, Hamid Reza; Esmaeili, Maryam","Temperature-dependent halogen⋯halogen synthon crossover in coordination compounds","CrystEngComm","2014","16","36","8479","","10.1039/C4CE00692E","","","0.71073","MoKα","","0.0862","0.064","","","0.1406","0.1517","","","","","","1.023","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7217091","24.3489","0.0018","4.92","0.0006","28.395","0.002","90","","125.751","0.004","90","","2760.6","0.5","294","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 Br2 Hg I2 N4 O2 -","- C24 H18 Br2 Hg I2 N4 O2 -","- C96 H72 Br8 Hg4 I8 N16 O8 -","4","0.5","","Khavasi, Hamid Reza; Esmaeili, Maryam","Temperature-dependent halogen⋯halogen synthon crossover in coordination compounds","CrystEngComm","2014","16","36","8479","","10.1039/C4CE00692E","","","0.71073","MoKα","","0.0772","0.0489","","","0.1203","0.128","","","","","","0.885","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7217092","37.962","0.009","21.391","0.004","24.996","0.004","90","","119.84","0.004","90","","17607","6","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H34 Cu N12 O41 P W12 -","- C36 H34 Cu N12 O41 P W12 -","- C288 H272 Cu8 N96 O328 P8 W96 -","8","1","","Luo, Yu-Hui; Lu, Xin-Xin; Zhang, Hong","An ultrastable, flexible POM-based coordination polymer with redox properties","CrystEngComm","2014","16","34","7865","","10.1039/C4CE01123F","","","0.71073","MoKα","","0.1202","0.0763","","","0.2168","0.2394","","","","","","1.028","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217115","14.333","0.006","21.282","0.008","17.076","0.007","90","","91.043","0.007","90","","5208","4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H40 Br8 N8 O10 Zn2 -","- C40 H40 Br8 N8 O10 Zn2 -","- C160 H160 Br32 N32 O40 Zn8 -","4","1","","Yan, Zhi-Hao; Han, Lu-Lu; Zhao, Ya-Qin; Li, Xiao-Yu; Wang, Xing-Po; Wang, Lei; Sun, Di","Three mixed-ligand coordination networks modulated by flexible N-donor ligands: syntheses, topological structures, and temperature-sensitive luminescence properties","CrystEngComm","2014","16","37","8747","","10.1039/C4CE01270D","","","0.71073","MoKα","","0.1736","0.1","","","0.2657","0.3123","","","","","","1.04","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217116","8.491","0.011","9.107","0.013","9.21","0.012","71.18","0.02","84.23","0.02","65.21","0.018","611.5","1.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H20 Br4 Cd N6 O8 -","- C16 H20 Br4 Cd N6 O8 -","- C16 H20 Br4 Cd N6 O8 -","1","0.5","","Yan, Zhi-Hao; Han, Lu-Lu; Zhao, Ya-Qin; Li, Xiao-Yu; Wang, Xing-Po; Wang, Lei; Sun, Di","Three mixed-ligand coordination networks modulated by flexible N-donor ligands: syntheses, topological structures, and temperature-sensitive luminescence properties","CrystEngComm","2014","16","37","8747","","10.1039/C4CE01270D","","","0.71073","MoKα","","0.0343","0.0297","","","0.075","0.077","","","","","","1.053","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217117","9.6238","0.0008","17.24","0.0014","12.7886","0.001","90","","91.914","0.002","90","","2120.6","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 Br4 N6 O4 Zn -","- C15 H10 Br4 N6 O4 Zn -","- C60 H40 Br16 N24 O16 Zn4 -","4","1","","Yan, Zhi-Hao; Han, Lu-Lu; Zhao, Ya-Qin; Li, Xiao-Yu; Wang, Xing-Po; Wang, Lei; Sun, Di","Three mixed-ligand coordination networks modulated by flexible N-donor ligands: syntheses, topological structures, and temperature-sensitive luminescence properties","CrystEngComm","2014","16","37","8747","","10.1039/C4CE01270D","","","0.71073","MoKα","","0.0618","0.0341","","","0.0683","0.0773","","","","","","0.955","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217118","10.271","0.005","18.615","0.003","10.814","0.005","90","","105.695","0.005","90","","1990.5","1.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 Co N2 O6 -","- C22 H16 Co N2 O6 -","- C88 H64 Co4 N8 O24 -","4","1","","Ahmad, Musheer; Das, Raja; Mrozinski, Jerzy; Bienko, Alina; Poddar, Pankaj; Bharadwaj, Parimal K.","Interchain relay of antiferromagnetic ordering in 1D Co(ii) coordination polymers via π‒π interactions","CrystEngComm","2014","16","36","8523","","10.1039/C4CE01010H","","","0.71073","MoKα","","0.0886","0.0603","","","0.1542","0.1825","","","","","","1.072","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217119","8.515","0.005","12.058","0.005","17.046","0.005","90","","101.675","0.005","90","","1714","1.3","100","2","100","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C20 H12 Co N2 O6 -","- C20 H12 Co N2 O6 -","- C80 H48 Co4 N8 O24 -","4","1","","Ahmad, Musheer; Das, Raja; Mrozinski, Jerzy; Bienko, Alina; Poddar, Pankaj; Bharadwaj, Parimal K.","Interchain relay of antiferromagnetic ordering in 1D Co(ii) coordination polymers via π‒π interactions","CrystEngComm","2014","16","36","8523","","10.1039/C4CE01010H","","","0.71073","MoKα","","0.0641","0.0465","","","0.1229","0.1608","","","","","","1.163","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217120","7.286","0.008","12.218","0.014","24.76","0.03","90","","90.484","0.014","90","","2204","4","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H42 N8 Ni2 O15 S2 -","- C44 H42 N8 Ni2 O15 S2 -","- C88 H84 N16 Ni4 O30 S4 -","2","0.5","","Gao, Xiao Lin; Gong, Yun; Zhang, Pan; Yang, Yong Xi; Meng, Jiang Ping; Zhang, Miao Miao; Yin, Jun Li; Lin, Jian Hua","Metal(ii) complexes based on 4-(2,6-di(pyridin-4-yl)pyridin-4-yl)benzonitrile: structures and electrocatalysis in hydrogen evolution reaction from water","CrystEngComm","2014","16","36","8492","","10.1039/C4CE01259C","","","0.71073","MoKα","","0.0831","0.0468","","","0.1052","0.1279","","","","","","1.035","","","","has coordinates,has disorder","180502","2020-10-21","18:00:00",""
"7217121","14.616","0.0014","12.1893","0.0011","25.892","0.003","90","","106.274","0.002","90","","4428.1","0.8","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H42 Co2 N8 O15 S2 -","- C44 H42 Co2 N8 O15 S2 -","- C176 H168 Co8 N32 O60 S8 -","4","1","","Gao, Xiao Lin; Gong, Yun; Zhang, Pan; Yang, Yong Xi; Meng, Jiang Ping; Zhang, Miao Miao; Yin, Jun Li; Lin, Jian Hua","Metal(ii) complexes based on 4-(2,6-di(pyridin-4-yl)pyridin-4-yl)benzonitrile: structures and electrocatalysis in hydrogen evolution reaction from water","CrystEngComm","2014","16","36","8492","","10.1039/C4CE01259C","","","0.71073","MoKα","","0.098","0.0553","","","0.1146","0.1347","","","","","","1.054","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217122","14.8543","0.0014","12.3149","0.0011","26.163","0.003","90","","106.126","0.002","90","","4597.7","0.8","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H42 Cd2 N8 O15 S2 -","- C44 H42 Cd2 N8 O15 S2 -","- C176 H168 Cd8 N32 O60 S8 -","4","1","","Gao, Xiao Lin; Gong, Yun; Zhang, Pan; Yang, Yong Xi; Meng, Jiang Ping; Zhang, Miao Miao; Yin, Jun Li; Lin, Jian Hua","Metal(ii) complexes based on 4-(2,6-di(pyridin-4-yl)pyridin-4-yl)benzonitrile: structures and electrocatalysis in hydrogen evolution reaction from water","CrystEngComm","2014","16","36","8492","","10.1039/C4CE01259C","","","0.71073","MoKα","","0.1198","0.0595","","","0.1384","0.1871","","","","","","1.098","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217123","10.944","0.003","13.623","0.004","13.884","0.004","64.73","0.004","73.057","0.005","69.711","0.004","1730.5","0.9","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C28 H44 Cu4 N24 Na O41 P W12 -","- C28 H44 Cu4 N24 Na O41 P W12 -","- C28 H44 Cu4 N24 Na O41 P W12 -","1","0.5","","Zhang, He; Yu, Kai; Gao, Song; Wang, Chun-Mei; Wang, Chun-Xiao; Wang, Hai-Yan; Zhou, Bai-Bin","Two unusual organic‒inorganic hybrid 3-D frameworks based on Keggin-type heteropoly blue anion-chains, 40-membered macrocycles, and sodium linker units","CrystEngComm","2014","16","36","8449","","10.1039/C4CE01029A","","","0.71073","MoKα","","0.0512","0.0661","","","0.0987","0.1032","","","","","","1.176","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217124","10.9694","0.0011","13.6637","0.0014","13.9341","0.0014","64.8306","0.0013","73.1694","0.0015","69.7887","0.0015","1748.6","0.3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C28 H44 Ag4 N24 Na O41 P W12 -","- C28 H44 Ag4 N24 Na O41 P W12 -","- C28 H44 Ag4 N24 Na O41 P W12 -","1","0.5","","Zhang, He; Yu, Kai; Gao, Song; Wang, Chun-Mei; Wang, Chun-Xiao; Wang, Hai-Yan; Zhou, Bai-Bin","Two unusual organic‒inorganic hybrid 3-D frameworks based on Keggin-type heteropoly blue anion-chains, 40-membered macrocycles, and sodium linker units","CrystEngComm","2014","16","36","8449","","10.1039/C4CE01029A","","","0.71","MoKα","","0.0513","0.0659","","","0.0942","0.1076","","","","","","1.167","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217126","8.9158","0.0003","11.144","0.0004","14.0968","0.0006","83.256","0.002","72.321","0.002","84.057","0.002","1321.83","0.09","110","2","110","2","","","","","","","","6","P 1","P 1","1","","","","- C49 H27 I4 Mn N6 O2 -","- C49 H27 I4 Mn N6 O2 -","- C49 H27 I4 Mn N6 O2 -","1","1","","Nandi, Goutam; Goldberg, Israel","The effects of halogen bonding and molecular design on the self-assembly of coordination polymers of Mn(iii)-tetraarylporphyrin with axial bridging ligands","CrystEngComm","2014","16","36","8327","","10.1039/C4CE01125B","","","0.71073","MoKα","","0.05","0.0394","","","0.0972","0.1018","","","","","","1.053","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217127","34.108","0.002","9.5282","0.0006","19.5702","0.0013","90","","116.626","0.002","90","","5685.6","0.6","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H28 I4 Mn N5 O2 -","- C50 H28 I4 Mn N5 O2 -","- C200 H112 I16 Mn4 N20 O8 -","4","0.5","","Nandi, Goutam; Goldberg, Israel","The effects of halogen bonding and molecular design on the self-assembly of coordination polymers of Mn(iii)-tetraarylporphyrin with axial bridging ligands","CrystEngComm","2014","16","36","8327","","10.1039/C4CE01125B","","","0.71073","MoKα","","0.0373","0.0328","","","0.1006","0.1039","","","","","","0.92","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217128","8.3814","0.0002","10.2345","0.0002","13.8672","0.0009","90","","105.897","0.008","90","","1144.03","0.09","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","8-acety1-1-dimethylaminonaphthalene, 7","","- C14 H15 N O -","- C14 H15 N O -","- C56 H60 N4 O4 -","4","1","","Mercadal, Nerea; Day, Stephen P.; Jarmyn, Andrew; Pitak, Mateusz B.; Coles, Simon J.; Wilson, Claire; Rees, Gregory J.; Hanna, John V.; Wallis, John D.","O- vs. N-protonation of 1-dimethylaminonaphthalene-8-ketones: formation of a peri N‒C bond or a hydrogen bond to the pi-electron density of a carbonyl group","CrystEngComm","2014","16","36","8363","","10.1039/C4CE00981A","","","0.71075","MoKα","","0.0419","0.0378","","","0.0974","0.0998","","","","","","1.071","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217129","9.37","0.02","9.34","0.02","15.72","0.04","90","","90","","90","","1376","5","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","1-dimethylamino-8-isopropylnaphthalene 8","","- C16 H19 N O -","- C16 H19 N O -","- C64 H76 N4 O4 -","4","1","","Mercadal, Nerea; Day, Stephen P.; Jarmyn, Andrew; Pitak, Mateusz B.; Coles, Simon J.; Wilson, Claire; Rees, Gregory J.; Hanna, John V.; Wallis, John D.","O- vs. N-protonation of 1-dimethylaminonaphthalene-8-ketones: formation of a peri N‒C bond or a hydrogen bond to the pi-electron density of a carbonyl group","CrystEngComm","2014","16","36","8363","","10.1039/C4CE00981A","","","0.6889","","","0.0492","0.0476","","","0.1335","0.1347","","","","","","1.214","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217130","10.4848","0.0006","12.0004","0.0007","12.0396","0.0008","73.685","0.005","85.342","0.006","83.541","0.006","1442.66","0.16","100","2","100","","","","","","","","","4","P -1","-P 1","2","","1-dimethylamino-8-(2,2-dimethylpropanoyl)naphthalene 9","","- C17 H21 N O -","- C17 H21 N O -","- C68 H84 N4 O4 -","4","2","","Mercadal, Nerea; Day, Stephen P.; Jarmyn, Andrew; Pitak, Mateusz B.; Coles, Simon J.; Wilson, Claire; Rees, Gregory J.; Hanna, John V.; Wallis, John D.","O- vs. N-protonation of 1-dimethylaminonaphthalene-8-ketones: formation of a peri N‒C bond or a hydrogen bond to the pi-electron density of a carbonyl group","CrystEngComm","2014","16","36","8363","","10.1039/C4CE00981A","","","0.71075","MoKα","","0.0484","0.0393","","","0.1026","0.1059","","","","","","1.106","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217131","9.0485","0.0004","11.967","0.0005","14.4409","0.0006","90","","107.512","0.005","90","","1491.24","0.12","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","8-Benzoyl-1-dimethylaminonaphthalene, 10","","- C19 H17 N O -","- C19 H17 N O -","- C76 H68 N4 O4 -","4","1","","Mercadal, Nerea; Day, Stephen P.; Jarmyn, Andrew; Pitak, Mateusz B.; Coles, Simon J.; Wilson, Claire; Rees, Gregory J.; Hanna, John V.; Wallis, John D.","O- vs. N-protonation of 1-dimethylaminonaphthalene-8-ketones: formation of a peri N‒C bond or a hydrogen bond to the pi-electron density of a carbonyl group","CrystEngComm","2014","16","36","8363","","10.1039/C4CE00981A","","","0.71073","MoKα","","0.0776","0.0559","","","0.1052","0.1138","","","","","","1.075","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217132","12.5626","0.0008","7.4932","0.0004","13.1887","0.0009","90","","98.319","0.006","90","","1228.44","0.13","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-dimethylamino-8-trifluoroacetylnaphthalene 11","","- C14 H12 F3 N O -","- C14 H12 F3 N O -","- C56 H48 F12 N4 O4 -","4","1","","Mercadal, Nerea; Day, Stephen P.; Jarmyn, Andrew; Pitak, Mateusz B.; Coles, Simon J.; Wilson, Claire; Rees, Gregory J.; Hanna, John V.; Wallis, John D.","O- vs. N-protonation of 1-dimethylaminonaphthalene-8-ketones: formation of a peri N‒C bond or a hydrogen bond to the pi-electron density of a carbonyl group","CrystEngComm","2014","16","36","8363","","10.1039/C4CE00981A","","","0.71073","MoKα","","0.0806","0.0517","","","0.0884","0.1017","","","","","","1.046","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217133","7.2319","0.0013","8.6574","0.0013","19.901","0.003","90","","90","","90","","1246","0.3","294","1","294","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-Dimethylamino-4-trifluoroacetylnaphthalene 13","","- C14 H12 F3 N O -","- C14 H12 F3 N O -","- C56 H48 F12 N4 O4 -","4","1","","Mercadal, Nerea; Day, Stephen P.; Jarmyn, Andrew; Pitak, Mateusz B.; Coles, Simon J.; Wilson, Claire; Rees, Gregory J.; Hanna, John V.; Wallis, John D.","O- vs. N-protonation of 1-dimethylaminonaphthalene-8-ketones: formation of a peri N‒C bond or a hydrogen bond to the pi-electron density of a carbonyl group","CrystEngComm","2014","16","36","8363","","10.1039/C4CE00981A","","","0.71073","","","0.092","0.0602","","","0.114","0.1298","","","","","","1.067","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217134","11.3796","0.0003","10.5436","0.0002","11.0577","0.0003","90","","97.604","0.002","90","","1315.06","0.06","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Hydroxy-1,1,2-trimethyl-1,2-dihydrobenzo[cd]indol-1-ium chloride monohydrate, 7-H.Cl.H2O","","- C14 H18 Cl N O2 -","- C14 H18 Cl N O2 -","- C56 H72 Cl4 N4 O8 -","4","1","","Mercadal, Nerea; Day, Stephen P.; Jarmyn, Andrew; Pitak, Mateusz B.; Coles, Simon J.; Wilson, Claire; Rees, Gregory J.; Hanna, John V.; Wallis, John D.","O- vs. N-protonation of 1-dimethylaminonaphthalene-8-ketones: formation of a peri N‒C bond or a hydrogen bond to the pi-electron density of a carbonyl group","CrystEngComm","2014","16","36","8363","","10.1039/C4CE00981A","","","0.7107","MoKα","","0.0529","0.0417","","","0.0963","0.1043","","","","","","1.047","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217135","13.8475","0.001","7.7466","0.0004","15.6785","0.0009","90","","106.669","0.006","90","","1611.17","0.18","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-Hydroxy-2-methyl-1,1-dimethyl-1,2-dihydrobenzo[cd]indol-1-ium triflate at 150K 7-H.triflate","","- C15 H16 F3 N O4 S -","- C15 H16 F3 N O4 S -","- C60 H64 F12 N4 O16 S4 -","4","1","","Mercadal, Nerea; Day, Stephen P.; Jarmyn, Andrew; Pitak, Mateusz B.; Coles, Simon J.; Wilson, Claire; Rees, Gregory J.; Hanna, John V.; Wallis, John D.","O- vs. N-protonation of 1-dimethylaminonaphthalene-8-ketones: formation of a peri N‒C bond or a hydrogen bond to the pi-electron density of a carbonyl group","CrystEngComm","2014","16","36","8363","","10.1039/C4CE00981A","","","0.7107","MoKα","","0.1289","0.1027","","","0.211","0.2254","","","","","","1.235","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217136","6.2039","0.0002","10.6675","0.0003","23.5777","0.0008","90","","97.541","0.003","90","","1546.88","0.09","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-Hydroxy-2-isopropyl-1,1-dimethyl-1,2-dihydrobenzo[cd]indol-1-ium tetrafluoroborate, 8-H.BF4","","- C16 H20 B F4 N O -","- C16 H20 B F4 N O -","- C64 H80 B4 F16 N4 O4 -","4","1","","Mercadal, Nerea; Day, Stephen P.; Jarmyn, Andrew; Pitak, Mateusz B.; Coles, Simon J.; Wilson, Claire; Rees, Gregory J.; Hanna, John V.; Wallis, John D.","O- vs. N-protonation of 1-dimethylaminonaphthalene-8-ketones: formation of a peri N‒C bond or a hydrogen bond to the pi-electron density of a carbonyl group","CrystEngComm","2014","16","36","8363","","10.1039/C4CE00981A","","","0.71073","MoKα","","0.0777","0.0582","","","0.1321","0.1424","","","","","","1.047","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217137","21.072","0.004","11.828","0.003","16.397","0.004","90","","112.765","0.014","90","","3768.4","1.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-dimethylammonium-8-(2,2-dimethylpropanoyl)naphthalene triflate 9-H.triflate","","- C18 H22 F3 N O4 S -","- C18 H22 F3 N O4 S -","- C144 H176 F24 N8 O32 S8 -","8","2","","Mercadal, Nerea; Day, Stephen P.; Jarmyn, Andrew; Pitak, Mateusz B.; Coles, Simon J.; Wilson, Claire; Rees, Gregory J.; Hanna, John V.; Wallis, John D.","O- vs. N-protonation of 1-dimethylaminonaphthalene-8-ketones: formation of a peri N‒C bond or a hydrogen bond to the pi-electron density of a carbonyl group","CrystEngComm","2014","16","36","8363","","10.1039/C4CE00981A","","","0.71075","MoKα","","0.0476","0.0419","","","0.0846","0.0882","","","","","","1.036","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217138","13.6452","0.0005","13.5547","0.0004","18.2545","0.0008","90","","90","","90","","3376.3","0.2","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","N,N-Dimethyl-N-(8-benzoylnaphth-1-yl)ammonium tetrafluoroborate, 10-H.BF4","","- C19 H18 B F4 N O -","- C19 H18 B F4 N O -","- C152 H144 B8 F32 N8 O8 -","8","1","","Mercadal, Nerea; Day, Stephen P.; Jarmyn, Andrew; Pitak, Mateusz B.; Coles, Simon J.; Wilson, Claire; Rees, Gregory J.; Hanna, John V.; Wallis, John D.","O- vs. N-protonation of 1-dimethylaminonaphthalene-8-ketones: formation of a peri N‒C bond or a hydrogen bond to the pi-electron density of a carbonyl group","CrystEngComm","2014","16","36","8363","","10.1039/C4CE00981A","","","0.71073","MoKα","","0.1055","0.0767","","","0.1518","0.166","","","","","","1.114","","","","has coordinates,has disorder","180502","2020-10-21","18:00:00",""
"7217139","10.3782","0.0007","17.4219","0.0008","9.9913","0.0004","90","","103.321","0.007","90","","1757.9","0.17","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-Hydroxy-2-trifluoromethyl-1,1-dimethyl-1,2-dihydrobenzo[cd]indol-1-ium triflate monohydrate 11-H.triflate.H2O","","- C15 H15 F6 N O5 S -","- C15 H15 F6 N O5 S -","- C60 H60 F24 N4 O20 S4 -","4","1","","Mercadal, Nerea; Day, Stephen P.; Jarmyn, Andrew; Pitak, Mateusz B.; Coles, Simon J.; Wilson, Claire; Rees, Gregory J.; Hanna, John V.; Wallis, John D.","O- vs. N-protonation of 1-dimethylaminonaphthalene-8-ketones: formation of a peri N‒C bond or a hydrogen bond to the pi-electron density of a carbonyl group","CrystEngComm","2014","16","36","8363","","10.1039/C4CE00981A","","","0.71075","MoKα","","0.0395","0.0322","","","0.0753","0.0783","","","","","","1.057","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217140","26.3596","0.0011","5.8523","0.0003","32.3137","0.0011","90","","105.987","0.004","90","","4792.1","0.4","240","0.1","240","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 F2 N8 O11 S2 -","- C16 H20 F2 N8 O11 S2 -","- C128 H160 F16 N64 O88 S16 -","8","1","","Wang, Lin; Wen, Xiaonan; Li, Ping; Wang, Jianming; Yang, Ping; Zhang, Hailu; Deng, Zongwu","2 : 1 5-Fluorocytosine‒acesulfame CAB cocrystal and 1 : 1 5-fluorocytosine‒acesulfame salt hydrate with enhanced stability against hydration","CrystEngComm","2014","16","36","8537","","10.1039/C4CE01150C","","","0.71073","MoKα","","0.0672","0.0451","","","0.0978","0.1066","","","","","","1.01","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217141","7.2613","0.0002","10.5289","0.0003","11.6662","0.0004","66.818","0.0011","82.022","0.0012","78.567","0.0012","801.81","0.04","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H13 F2 N7 O6 S -","- C12 H13 F2 N7 O6 S -","- C24 H26 F4 N14 O12 S2 -","2","1","","Wang, Lin; Wen, Xiaonan; Li, Ping; Wang, Jianming; Yang, Ping; Zhang, Hailu; Deng, Zongwu","2 : 1 5-Fluorocytosine‒acesulfame CAB cocrystal and 1 : 1 5-fluorocytosine‒acesulfame salt hydrate with enhanced stability against hydration","CrystEngComm","2014","16","36","8537","","10.1039/C4CE01150C","","","0.71073","MoKα","","0.0335","0.0305","","","0.084","0.0866","","","","","","1.057","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217146","5.809","0.0007","20.942","0.003","6.6746","0.0008","90","","107.509","0.002","90","","774.36","0.17","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>N,N'</i>-(1,4-phenylenedimethylidyne)<i>bis</i>[2-fluorobenzenamine]","","- C20 H14 F2 N2 -","- C20 H14 F2 N2 -","- C40 H28 F4 N4 -","2","0.5","","Ojala, William H.; Balidemaj, Barjeta; Johnson, Jenna A.; Larson, Sarah N.; Ojala, Charles R.","Molecular symmetry and fluorine-containing supramolecular synthons as structure-differentiating agents in some “bridge-flipped” isomeric bis-benzylideneanilines","CrystEngComm","2014","16","31","7226","","10.1039/C3CE42540A","","","0.71073","MoKα","","0.0591","0.0389","","","0.0876","0.0951","","","","","","1.047","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217147","9.4317","0.0014","3.952","0.0006","20.303","0.003","90","","94.204","0.002","90","","754.7","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>N,N'</i>-(1,4-phenylenedimethylidyne)<i>bis</i>[3-fluorobenzenamine]","","- C20 H14 F2 N2 -","- C20 H14 F2 N2 -","- C40 H28 F4 N4 -","2","0.5","","Ojala, William H.; Balidemaj, Barjeta; Johnson, Jenna A.; Larson, Sarah N.; Ojala, Charles R.","Molecular symmetry and fluorine-containing supramolecular synthons as structure-differentiating agents in some “bridge-flipped” isomeric bis-benzylideneanilines","CrystEngComm","2014","16","31","7226","","10.1039/C3CE42540A","","","0.71073","MoKα","","0.0611","0.0539","","","0.1382","0.1416","","","","","","1.139","","","","has coordinates,has disorder","180502","2020-10-21","18:00:00",""
"7217148","7.468","0.0011","5.6986","0.0008","36.149","0.005","90","","95.239","0.002","90","","1532","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N,N'</i>-(1,4-phenylenedimethylidyne)<i>bis</i>[4-fluorobenzenamine]","","- C20 H14 F2 N2 -","- C20 H14 F2 N2 -","- C80 H56 F8 N8 -","4","1","","Ojala, William H.; Balidemaj, Barjeta; Johnson, Jenna A.; Larson, Sarah N.; Ojala, Charles R.","Molecular symmetry and fluorine-containing supramolecular synthons as structure-differentiating agents in some “bridge-flipped” isomeric bis-benzylideneanilines","CrystEngComm","2014","16","31","7226","","10.1039/C3CE42540A","","","0.71073","MoKα","","0.054","0.0411","","","0.1154","0.1243","","","","","","1.055","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217149","6.9517","0.0006","11.5713","0.001","10.0545","0.0008","90","","104.618","0.001","90","","782.61","0.11","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N,N'</i>-<i>bis</i>[(2-fluorophenyl)methylene]-1,4-benzenediamine","","- C20 H14 F2 N2 -","- C20 H14 F2 N2 -","- C40 H28 F4 N4 -","2","0.5","","Ojala, William H.; Balidemaj, Barjeta; Johnson, Jenna A.; Larson, Sarah N.; Ojala, Charles R.","Molecular symmetry and fluorine-containing supramolecular synthons as structure-differentiating agents in some “bridge-flipped” isomeric bis-benzylideneanilines","CrystEngComm","2014","16","31","7226","","10.1039/C3CE42540A","","","0.71073","MoKα","","0.0498","0.0387","","","0.0925","0.0994","","","","","","1.074","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217150","17.2826","0.0017","6.1796","0.0006","7.0765","0.0007","90","","92.71","0.001","90","","754.92","0.13","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N,N'</i>-<i>bis</i>[(3-fluorophenyl)methylene]-1,4-benzenediamine","","- C20 H14 F2 N2 -","- C20 H14 F2 N2 -","- C40 H28 F4 N4 -","2","0.5","","Ojala, William H.; Balidemaj, Barjeta; Johnson, Jenna A.; Larson, Sarah N.; Ojala, Charles R.","Molecular symmetry and fluorine-containing supramolecular synthons as structure-differentiating agents in some “bridge-flipped” isomeric bis-benzylideneanilines","CrystEngComm","2014","16","31","7226","","10.1039/C3CE42540A","","","0.71073","MoKα","","0.0453","0.0379","","","0.1027","0.1092","","","","","","1.05","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217151","7.17","0.003","7.181","0.003","9.831","0.004","73.511","0.004","73.892","0.004","89.122","0.004","465.2","0.3","176","2","176","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 As N2 O6 U -","- C4 As N2 O6 U -","- C8 As2 N4 O12 U2 -","2","1","","Wylie, E. M.; Smith, P. A.; Peruski, K. M.; Smith, J. S.; Dustin, M. K.; Burns, P. C.","Effects of ionic liquid media on the cation selectivity of uranyl structural units in five new compounds produced using the ionothermal technique","CrystEngComm","2014","16","31","7236","","10.1039/C4CE00270A","","","0.71073","MoKα","","0.0412","0.0319","","","0.0627","0.0659","","","","","","1.013","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217152","18.86","0.002","18.01","0.002","11.1408","0.0013","90","","90","","90","","3784.2","0.7","174","2","174","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C16 N4 O23 Se5 U4 -","- C16 N4 O23 Se5 U4 -","- C64 N16 O92 Se20 U16 -","4","0.5","","Wylie, E. M.; Smith, P. A.; Peruski, K. M.; Smith, J. S.; Dustin, M. K.; Burns, P. C.","Effects of ionic liquid media on the cation selectivity of uranyl structural units in five new compounds produced using the ionothermal technique","CrystEngComm","2014","16","31","7236","","10.1039/C4CE00270A","","","0.71073","MoKα","","0.068","0.0499","","","0.1046","0.1103","","","","","","1.149","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217153","9.954","0.007","10.264","0.007","19.566","0.014","90","","101.758","0.01","90","","1957","2","174","2","174","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 N4 O22 P4 U3 -","- C20 N4 O22 P4 U3 -","- C40 N8 O44 P8 U6 -","2","0.5","","Wylie, E. M.; Smith, P. A.; Peruski, K. M.; Smith, J. S.; Dustin, M. K.; Burns, P. C.","Effects of ionic liquid media on the cation selectivity of uranyl structural units in five new compounds produced using the ionothermal technique","CrystEngComm","2014","16","31","7236","","10.1039/C4CE00270A","","","0.71073","MoKα","","0.1448","0.0497","","","0.1014","0.1326","","","","","","0.979","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217154","9.987","0.007","10.251","0.007","20.957","0.014","90","","90","","90","","2146","3","174","2","174","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C10 N2 O16 Se3 U2 -","- C10 N2 O16 Se3 U2 -","- C40 N8 O64 Se12 U8 -","4","0.5","","Wylie, E. M.; Smith, P. A.; Peruski, K. M.; Smith, J. S.; Dustin, M. K.; Burns, P. C.","Effects of ionic liquid media on the cation selectivity of uranyl structural units in five new compounds produced using the ionothermal technique","CrystEngComm","2014","16","31","7236","","10.1039/C4CE00270A","","","0.71073","MoKα","","0.0941","0.0647","","","0.1623","0.1784","","","","","","1.033","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217155","9.5152","0.0009","33.144","0.003","9.6569","0.001","90","","93.211","0.001","90","","3040.7","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 N2 O31 P4 U5 -","- C4 N2 O31 P4 U5 -","- C16 N8 O124 P16 U20 -","4","1","","Wylie, E. M.; Smith, P. A.; Peruski, K. M.; Smith, J. S.; Dustin, M. K.; Burns, P. C.","Effects of ionic liquid media on the cation selectivity of uranyl structural units in five new compounds produced using the ionothermal technique","CrystEngComm","2014","16","31","7236","","10.1039/C4CE00270A","","","0.71073","MoKα","","0.0684","0.045","","","0.1036","0.1163","","","","","","1.015","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217156","38.4736","0.0012","12.0047","0.001","19.0031","0.0016","90","","104.334","0.003","90","","8503.6","1","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C70 H62 Cd3 N28 O8 S5 W2 -","- C70 H62 Cd3 N28 O8 S5 W2 -","- C280 H248 Cd12 N112 O32 S20 W8 -","4","0.5","","Yang, Dan; Zhou, Hu; Yuan, Ai-Hua; Li, Yi-Zhi","Sandwich-like octacyanometalate-based cadmium assemblies with the 4,4′-dipyridyl sulfide ligand","CrystEngComm","2014","16","36","8344","","10.1039/C4CE00965G","","","0.71073","MoKα","","0.0464","0.0461","","","0.1163","0.1164","","","","","","1.073","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217157","38.0659","0.0011","11.9553","0.0012","18.9714","0.001","90","","103.936","0.0012","90","","8379.5","1","340","2","340","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C70 H56 Cd3 N28 O5 S5 W2 -","- C70 H56 Cd3 N28 O5 S5 W2 -","- C280 H224 Cd12 N112 O20 S20 W8 -","4","1","","Yang, Dan; Zhou, Hu; Yuan, Ai-Hua; Li, Yi-Zhi","Sandwich-like octacyanometalate-based cadmium assemblies with the 4,4′-dipyridyl sulfide ligand","CrystEngComm","2014","16","36","8344","","10.1039/C4CE00965G","","","0.71073","MoKα","","0.0452","0.0409","","","0.1001","0.1004","","","","","","1.017","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217158","37.855","0.005","11.8053","0.0015","18.885","0.002","90","","104.534","0.002","90","","8169.4","1.7","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C66 H56 Cd3 N26 O8 S5 W2 -","- C66 H56 Cd3 N26 O8 S5 W2 -","- C264 H224 Cd12 N104 O32 S20 W8 -","4","0.5","","Yang, Dan; Zhou, Hu; Yuan, Ai-Hua; Li, Yi-Zhi","Sandwich-like octacyanometalate-based cadmium assemblies with the 4,4′-dipyridyl sulfide ligand","CrystEngComm","2014","16","36","8344","","10.1039/C4CE00965G","","","0.71073","MoKα","","0.0532","0.0389","","","0.0869","0.0915","","","","","","1.071","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217159","37.571","0.005","11.9361","0.0015","19.196","0.002","90","","104.686","0.002","90","","8327.2","1.8","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C70 H60 Cd3 N26 O6 S5 W2 -","- C70 H60 Cd3 N26 O6 S5 W2 -","- C280 H240 Cd12 N104 O24 S20 W8 -","4","0.5","","Yang, Dan; Zhou, Hu; Yuan, Ai-Hua; Li, Yi-Zhi","Sandwich-like octacyanometalate-based cadmium assemblies with the 4,4′-dipyridyl sulfide ligand","CrystEngComm","2014","16","36","8344","","10.1039/C4CE00965G","","","0.71073","MoKα","","0.0354","0.0259","","","0.0628","0.0658","","","","","","1.043","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217171","11.4682","0.0002","8.8977","0.0001","15.6872","0.0002","90","","94.074","0.001","90","","1596.69","0.04","100","2","100","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C29 H33 Cu2 N5 O14 -","- C29 H33 Cu2 N5 O14 -","- C58 H66 Cu4 N10 O28 -","2","1","","Llano-Tomé, Francisco; Bazán, Begoña; Urtiaga, Miren-Karmele; Barandika, Gotzone; Lezama, Luis; Arriortua, María-Isabel","CuII‒PDC-bpe frameworks (PDC = 2,5-pyridinedicarboxylate, bpe = 1,2-di(4-pyridyl)ethylene): mapping of herringbone-type structures","CrystEngComm","2014","16","37","8726","","10.1039/C4CE00989D","","","1.54184","CuKα","","0.0317","0.0296","","","0.0767","0.0782","","","","","","1.041","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217172","11.3256","0.0003","8.9352","0.0002","15.1672","0.0004","90","","93.037","0.003","90","","1532.71","0.07","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H10 Cu N2 O7 -","- C13 H10 Cu N2 O7 -","- C52 H40 Cu4 N8 O28 -","4","1","","Llano-Tomé, Francisco; Bazán, Begoña; Urtiaga, Miren-Karmele; Barandika, Gotzone; Lezama, Luis; Arriortua, María-Isabel","CuII‒PDC-bpe frameworks (PDC = 2,5-pyridinedicarboxylate, bpe = 1,2-di(4-pyridyl)ethylene): mapping of herringbone-type structures","CrystEngComm","2014","16","37","8726","","10.1039/C4CE00989D","","","1.54184","CuKα","","0.0542","0.0481","","","0.1372","0.1445","","","","","","1.014","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217173","15.0263","0.0003","15.0263","0.0003","17.6363","0.0006","90","","90","","120","","3448.6","0.15","296","2","296","2","","","","","","","","5","P 6/m","-P 6","175","[Ba~5~(L)~3~(H~2~O)~6~].25H~2~O.10DMF.2Me~2~NH~2~^+^","","","- C154 H214 Ba5 N12 O65 -","- C120 H72 Ba5 O30 -","- C120 H72 Ba5 O30 -","1","0.0833333","","Chen, Xiao; He, Sha; Chen, Feiyan; Feng, Yunlong","Synthesis, characterization, and luminescence modulation of a rare barium-tetracarboxylate framework with I2O1connectivity","CrystEngComm","2014","16","37","8706","","10.1039/C4CE01059K","","","0.71073","MoKα","","0.0772","0.0504","","","0.1651","0.1785","","","","","","1","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217174","25.926","0.005","13.837","0.003","15.243","0.003","90","","90","","90","","5468.2","1.9","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","{[Mn3L2(pbbm)]CH3CN}n","","","- C63 H45 Mn3 N5 O12 -","- C63 H45 Mn3 N5 O12 -","- C252 H180 Mn12 N20 O48 -","4","1","","Liu, Lu; Lv, Xiaofeng; Zhang, Lin; Guo, Li'an; Wu, Jie; Hou, Hongwei; Fan, Yaoting","Mn(ii) coordination polymers assembled from 8 or 9-connected trinuclear secondary building units: topology analysis and research of magnetic properties","CrystEngComm","2014","16","37","8736","","10.1039/C4CE01184H","","","0.71073","MoKα","","0.1189","0.0885","","","0.1574","0.1754","","","","","","1.001","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217175","8.8451","0.0018","10.334","0.002","11.762","0.002","77.05","0.03","81.5","0.03","75.82","0.03","1010.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","[Mn3L2(CH3CN)2]n","","","- C46 H28 Mn3 N2 O12 -","- C46 H28 Mn3 N2 O12 -","- C46 H28 Mn3 N2 O12 -","1","0.5","","Liu, Lu; Lv, Xiaofeng; Zhang, Lin; Guo, Li'an; Wu, Jie; Hou, Hongwei; Fan, Yaoting","Mn(ii) coordination polymers assembled from 8 or 9-connected trinuclear secondary building units: topology analysis and research of magnetic properties","CrystEngComm","2014","16","37","8736","","10.1039/C4CE01184H","","","0.71073","MoKα","","0.0651","0.051","","","0.121","0.1377","","","","","","0.995","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217180","28.3148","0.0006","15.8506","0.0003","18.226","0.0004","90","","118.09","0.01","90","","7216.4","0.7","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C70.5 H95.5 Cl1.5 N4 O7 S2 -","- C70.5 H95.5 Cl1.5 N4 O7 S2 -","- C282 H382 Cl6 N16 O28 S8 -","4","0.5","","Qureshi, Naseem; Yufit, Dimitri S.; Steed, Kirsty M.; Howard, Judith A. K.; Steed, Jonathan W.","Hydrogen bonding effects in anion binding calixarenes","CrystEngComm","2014","16","36","8413","","10.1039/C4CE01240B","","","0.71073","Mo-Kα","","0.1129","0.0962","","","0.2708","0.2888","","","","","","1.071","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7217181","12.6122","0.0005","30.9836","0.0012","18.6901","0.0007","90","","92.349","0.01","90","","7297.4","0.5","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C75.5 H87.5 Cl4.5 N6 O6 -","- C75.5 H87.5 Cl4.5 N6 O6 -","- C302 H350 Cl18 N24 O24 -","4","1","","Qureshi, Naseem; Yufit, Dimitri S.; Steed, Kirsty M.; Howard, Judith A. K.; Steed, Jonathan W.","Hydrogen bonding effects in anion binding calixarenes","CrystEngComm","2014","16","36","8413","","10.1039/C4CE01240B","","x-ray","0.71073","MoKα","K-L~3~","0.1638","0.0852","","","0.233","0.2683","","","","","","1.004","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7217182","19.5803","0.0005","20.1679","0.0005","18.2981","0.0005","90","","111.82","0.03","90","","6708.1","1.4","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C69 H91 N4 O8 S2 -","- C69 H91 N4 O8 S2 -","- C276 H364 N16 O32 S8 -","4","1","","Qureshi, Naseem; Yufit, Dimitri S.; Steed, Kirsty M.; Howard, Judith A. K.; Steed, Jonathan W.","Hydrogen bonding effects in anion binding calixarenes","CrystEngComm","2014","16","36","8413","","10.1039/C4CE01240B","","x-ray","0.71073","MoKα","K-L~3~","0.1991","0.0936","","","0.2441","0.2932","","","","","","1.056","","","","has coordinates,has disorder","180502","2020-10-21","18:00:00",""
"7217183","12.1816","0.0003","24.5969","0.0007","26.7522","0.0007","102.923","0.01","95.542","0.01","98.546","0.01","7655.6","0.6","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H100 N8 O8 S2 -","- C80 H100 N8 O8 S2 -","- C320 H400 N32 O32 S8 -","4","2","","Qureshi, Naseem; Yufit, Dimitri S.; Steed, Kirsty M.; Howard, Judith A. K.; Steed, Jonathan W.","Hydrogen bonding effects in anion binding calixarenes","CrystEngComm","2014","16","36","8413","","10.1039/C4CE01240B","","","0.71073","Mo-Kα","","0.1123","0.06","","","0.1502","0.1766","","","","","","1.031","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7217184","21.951","0.004","12.163","0.003","21.185","0.003","90","","91.17","0.01","90","","5655","1.9","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C61 H84 N2 O7 -","- C61 H84 N2 O7 -","- C244 H336 N8 O28 -","4","0.5","","Qureshi, Naseem; Yufit, Dimitri S.; Steed, Kirsty M.; Howard, Judith A. K.; Steed, Jonathan W.","Hydrogen bonding effects in anion binding calixarenes","CrystEngComm","2014","16","36","8413","","10.1039/C4CE01240B","","","0.71073","Mo-Kα","","0.0784","0.0649","","","0.1746","0.1923","","","","","","1.029","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7217185","10.0646","0.0011","15.6235","0.0017","20.246","0.002","90","","90","","90","","3183.6","0.6","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H36 Cl2 N2 O4 -","- C37 H36 Cl2 N2 O4 -","- C148 H144 Cl8 N8 O16 -","4","1","","Qureshi, Naseem; Yufit, Dimitri S.; Steed, Kirsty M.; Howard, Judith A. K.; Steed, Jonathan W.","Hydrogen bonding effects in anion binding calixarenes","CrystEngComm","2014","16","36","8413","","10.1039/C4CE01240B","","","0.71073","MoKα","","0.07","0.047","","","0.0789","0.086","","","","","","0.982","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217186","27.48","0.02","20.311","0.015","19.585","0.014","90","","92.34","0.06","90","","10922","14","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","06kma022","","","- C60 H82 N2 O4 -","- C60 H82 N2 O4 -","- C480 H656 N16 O32 -","8","1","","Qureshi, Naseem; Yufit, Dimitri S.; Steed, Kirsty M.; Howard, Judith A. K.; Steed, Jonathan W.","Hydrogen bonding effects in anion binding calixarenes","CrystEngComm","2014","16","36","8413","","10.1039/C4CE01240B","","","0.71073","MoKα","","0.1672","0.0648","","","0.1364","0.1687","","","","","","0.792","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217187","13.4692","0.0015","15.0701","0.0016","15.3241","0.0016","91.994","0.002","115.71","0.002","109.003","0.002","2592.6","0.5","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H74 N2 O4 -","- C56 H74 N2 O4 -","- C112 H148 N4 O8 -","2","1","","Qureshi, Naseem; Yufit, Dimitri S.; Steed, Kirsty M.; Howard, Judith A. K.; Steed, Jonathan W.","Hydrogen bonding effects in anion binding calixarenes","CrystEngComm","2014","16","36","8413","","10.1039/C4CE01240B","","","0.71073","MoKα","","0.1334","0.0713","","","0.1566","0.1845","","","","","","1.016","","","","has coordinates,has disorder","180502","2020-10-21","18:00:00",""
"7217188","11.9751","0.0016","13.956","0.002","16.948","0.002","103.541","0.004","106.768","0.004","105.443","0.004","2461.2","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H22 N5 Ni S4 -","- C21 H22 N5 Ni S4 -","- C84 H88 N20 Ni4 S16 -","4","2","","Chen, Xuan-Rong; Sui, Yun-Xia; Zhai, Lu; Ning, Wei-Hua; Ren, Xiao-Ming","Influence of the molecular structures of dithiolate ligands on crystal packing modes and magnetic properties in salts (Bz-Et3N)[Ni(dmit)x(mnt)2−x] (x = 0‒2)","CrystEngComm","2014","16","37","8717","","10.1039/C4CE01168F","","","0.71073","MoKα","","0.1988","0.0999","","","0.2502","0.3107","","","","","","0.991","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217189","9.6795","0.0009","11.1962","0.0011","12.7101","0.0013","85.342","0.003","74.876","0.003","85.864","0.003","1323.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H22 N Ni S10 -","- C19 H22 N Ni S10 -","- C38 H44 N2 Ni2 S20 -","2","1","","Chen, Xuan-Rong; Sui, Yun-Xia; Zhai, Lu; Ning, Wei-Hua; Ren, Xiao-Ming","Influence of the molecular structures of dithiolate ligands on crystal packing modes and magnetic properties in salts (Bz-Et3N)[Ni(dmit)x(mnt)2−x] (x = 0‒2)","CrystEngComm","2014","16","37","8717","","10.1039/C4CE01168F","","","0.71073","MoKα","","0.0454","0.034","","","0.0786","0.0853","","","","","","1.037","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217190","7.9725","0.001","14.7293","0.0017","44.097","0.005","90","","90","","90","","5178.3","1.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 N3 Ni S7 -","- C20 H22 N3 Ni S7 -","- C160 H176 N24 Ni8 S56 -","8","2","","Chen, Xuan-Rong; Sui, Yun-Xia; Zhai, Lu; Ning, Wei-Hua; Ren, Xiao-Ming","Influence of the molecular structures of dithiolate ligands on crystal packing modes and magnetic properties in salts (Bz-Et3N)[Ni(dmit)x(mnt)2−x] (x = 0‒2)","CrystEngComm","2014","16","37","8717","","10.1039/C4CE01168F","","","0.71073","MoKα","","0.2155","0.0612","","","0.0697","0.0915","","","","","","0.963","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7217192","12.4555","0.001","14.7313","0.0012","15.9151","0.0012","63.621","0.002","81.425","0.002","83.341","0.002","2582.8","0.4","130","2","130","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H48 Cl F4 Ir N14 O -","- C54 H48 Cl F4 Ir N14 O -","- C108 H96 Cl2 F8 Ir2 N28 O2 -","2","1","","Rawson, Jeremy M.; Donato, Loïc; Zysman-Colman, Eli","Triazole-directed hydrogen-bonded structures of cationic iridium(iii) complexes","CrystEngComm","2014","16","36","8531","","10.1039/C4CE00980K","","","0.71073","MoKα","","0.0497","0.0373","","","0.0831","0.0893","","","","","","1.049","","","","has coordinates,has disorder","180502","2020-10-21","18:00:00",""
"7217197","19.4966","0.0008","19.4966","0.0008","58.604","0.003","90","","90","","120","","19291.9","1.5","173","2","173","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C72 H51 Cr N12 O105 P2 W24 -","- C72 H51 Cr N12 O105 P2 W24 -","- C216 H153 Cr3 N36 O315 P6 W72 -","3","0.166667","","Liao, Jian-Zhen; Dui, Xue-Jing; Zhang, Hai-Long; Wu, Xiao-Yuan; Lu, Can-Zhong","Polyoxometalate anion‒π interaction-directed assembly of a three-dimensional hydrogen-bonded supramolecular framework with nanoscale porosity","CrystEngComm","2014","16","46","10530","","10.1039/C4CE01283F","","","0.71073","MoKα","","0.122","0.0836","","","0.2451","0.2871","","","","","","1.009","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217199","10.054","0.002","10.073","0.002","12.755","0.003","107.386","0.003","97.437","0.003","96.535","0.002","1206.4","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H36 N4 O2 -","- C26 H36 N4 O2 -","- C52 H72 N8 O4 -","2","1","","Sathish Kumar, B.; Panda, Pradeepta K.","1D water chain stabilized by meso-expanded calix[4]pyrrole","CrystEngComm","2014","16","37","8669","","10.1039/C4CE01502A","","","0.71073","MoKα","","0.058","0.0532","","","0.1479","0.1517","","","","","","1.114","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7217200","5.2963","0.001","7.4802","0.0014","11.401","0.002","90","","99.512","0.003","90","","445.47","0.14","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 N2 -","- C10 H12 N2 -","- C20 H24 N4 -","2","0.5","","Sathish Kumar, B.; Panda, Pradeepta K.","1D water chain stabilized by meso-expanded calix[4]pyrrole","CrystEngComm","2014","16","37","8669","","10.1039/C4CE01502A","","","0.71073","MoKα","","0.1278","0.1198","","","0.346","0.3593","","","","","","1.581","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217201","15.7215","0.0016","12.0839","0.0012","16.2077","0.0017","90","","106.856","0.002","90","","2946.8","0.5","273","2","273","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C68 H72 Cl0 Mo2 N2 O8 -","- C68 H72 Mo2 N2 O8 -","- C136 H144 Mo4 N4 O16 -","2","1","","Chen, Yu; Ma, Li; Bian, Zheng; Jin, Rizhe; Kang, Chuanqing; Li, Zongjun; Gao, Xiang; Han, Fushe; Qiu, Xuepeng; Gao, Lianxun","The crystallographic observation of mesitylene‒mesitylene and mesitylene‒CH2Cl2‒mesitylene adducts trapped in an irregular cavity","CrystEngComm","2014","16","37","8652","","10.1039/C4CE01403K","","","0.71073","MoKα","","0.0513","0.0428","","","0.0863","0.091","","","","","","1.014","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217202","14.6862","0.0018","15.6249","0.0018","13.2871","0.0016","90","","90","","90","","3049","0.6","185","2","185","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C69 H74 Cl2 Mo2 N2 O8 -","- C69 H74 Cl2 Mo2 N2 O8 -","- C138 H148 Cl4 Mo4 N4 O16 -","2","0.5","","Chen, Yu; Ma, Li; Bian, Zheng; Jin, Rizhe; Kang, Chuanqing; Li, Zongjun; Gao, Xiang; Han, Fushe; Qiu, Xuepeng; Gao, Lianxun","The crystallographic observation of mesitylene‒mesitylene and mesitylene‒CH2Cl2‒mesitylene adducts trapped in an irregular cavity","CrystEngComm","2014","16","37","8652","","10.1039/C4CE01403K","","","0.71073","MoKα","","0.0989","0.0591","","","0.1202","0.1372","","","","","","1.022","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217203","7.5319","0.0013","20.56","0.003","8.9505","0.0014","90","","114.813","0.008","90","","1258.1","0.4","190","2","190","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1,2-Dibromotetrafluorobenzene N-Methylacetamide","","- C9 H7 Br2 F4 N O -","- C9 H7 Br2 F4 N O -","- C36 H28 Br8 F16 N4 O4 -","4","1","","Vasylyeva, Vera; Nayak, Susanta K.; Terraneo, Giancarlo; Cavallo, Gabriella; Metrangolo, Pierangelo; Resnati, Giuseppe","Orthogonal halogen and hydrogen bonds involving a peptide bond model","CrystEngComm","2014","16","35","8102","","10.1039/C4CE01514B","","","0.71073","MoKα","","0.1071","0.0483","","","0.1094","0.1389","","","","","","0.956","","","","has coordinates,has disorder","180503","2020-10-21","18:00:00",""
"7217204","7.7932","0.0006","19.6616","0.0014","8.8023","0.0006","90","","115.553","0.004","90","","1216.82","0.16","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1,3-Dibromotetrafluorobenzene N-Methylacetamide","","- C9 H7 Br2 F4 N O -","- C9 H7 Br2 F4 N O -","- C36 H28 Br8 F16 N4 O4 -","4","1","","Vasylyeva, Vera; Nayak, Susanta K.; Terraneo, Giancarlo; Cavallo, Gabriella; Metrangolo, Pierangelo; Resnati, Giuseppe","Orthogonal halogen and hydrogen bonds involving a peptide bond model","CrystEngComm","2014","16","35","8102","","10.1039/C4CE01514B","","","0.71073","MoKα","","0.0462","0.0274","","","0.0538","0.0587","","","","","","1.048","","","","has coordinates,has disorder","180503","2020-10-21","18:00:00",""
"7217205","5.8653","0.0003","9.0752","0.0005","22.3773","0.0013","90","","95.126","0.003","90","","1186.35","0.11","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1,4-Dibromotetrafluorobenzene N-Methylacetamide","","- C9 H7 Br2 F4 N O -","- C9 H7 Br2 F4 N O -","- C36 H28 Br8 F16 N4 O4 -","4","1","","Vasylyeva, Vera; Nayak, Susanta K.; Terraneo, Giancarlo; Cavallo, Gabriella; Metrangolo, Pierangelo; Resnati, Giuseppe","Orthogonal halogen and hydrogen bonds involving a peptide bond model","CrystEngComm","2014","16","35","8102","","10.1039/C4CE01514B","","","0.71073","MoKα","","0.0462","0.0364","","","0.0955","0.1103","","","","","","1.173","","","","has coordinates,has disorder","180503","2020-10-21","18:00:00",""
"7217206","7.2201","0.0003","8.6847","0.0003","21.5893","0.0008","85.66","0.002","81.022","0.002","74.403","0.002","1287.11","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","1,2-Diiodotetrafluorobenzene N-Methylacetamide","","- C9 H7 F4 I2 N O -","- C9 H7 F4 I2 N O -","- C36 H28 F16 I8 N4 O4 -","4","2","","Vasylyeva, Vera; Nayak, Susanta K.; Terraneo, Giancarlo; Cavallo, Gabriella; Metrangolo, Pierangelo; Resnati, Giuseppe","Orthogonal halogen and hydrogen bonds involving a peptide bond model","CrystEngComm","2014","16","35","8102","","10.1039/C4CE01514B","","","0.71073","MoKα","","0.037","0.0278","","","0.0709","0.0809","","","","","","1.234","","","","has coordinates,has disorder","180503","2020-10-21","18:00:00",""
"7217207","8.0655","0.0005","18.2945","0.001","9.1049","0.0005","90","","105.695","0.003","90","","1293.38","0.13","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1,3-Diiodotetrafluorobenzene N-Methylacetamide","","- C9 H7 F4 I2 N O -","- C9 H7 F4 I2 N O -","- C36 H28 F16 I8 N4 O4 -","4","1","","Vasylyeva, Vera; Nayak, Susanta K.; Terraneo, Giancarlo; Cavallo, Gabriella; Metrangolo, Pierangelo; Resnati, Giuseppe","Orthogonal halogen and hydrogen bonds involving a peptide bond model","CrystEngComm","2014","16","35","8102","","10.1039/C4CE01514B","","","0.71073","MoKα","","0.0326","0.021","","","0.0398","0.0431","","","","","","1.021","","","","has coordinates,has disorder","180503","2020-10-21","18:00:00",""
"7217208","21.263","0.009","4.7949","0.0019","12.348","0.006","90","","91.64","0.02","90","","1258.4","1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","1,4-Diiodotetrafluorobenzene N-Methylacetamide","","- C9 H7 F4 I2 N O -","- C9 H7 F4 I2 N O -","- C36 H28 F16 I8 N4 O4 -","4","0.5","","Vasylyeva, Vera; Nayak, Susanta K.; Terraneo, Giancarlo; Cavallo, Gabriella; Metrangolo, Pierangelo; Resnati, Giuseppe","Orthogonal halogen and hydrogen bonds involving a peptide bond model","CrystEngComm","2014","16","35","8102","","10.1039/C4CE01514B","","","0.71073","MoKα","","0.0255","0.0188","","","0.0413","0.0543","","","","","","1.249","","","","has coordinates,has disorder","180503","2020-10-21","18:00:00",""
"7217209","9.6481","0.0012","6.3391","0.0008","7.1825","0.0009","90","","90","","90","","439.28","0.1","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","N-methylacetamide","","- C3 H7 N O -","- C3 H7 N O -","- C12 H28 N4 O4 -","4","0.5","","Vasylyeva, Vera; Nayak, Susanta K.; Terraneo, Giancarlo; Cavallo, Gabriella; Metrangolo, Pierangelo; Resnati, Giuseppe","Orthogonal halogen and hydrogen bonds involving a peptide bond model","CrystEngComm","2014","16","35","8102","","10.1039/C4CE01514B","","","0.71073","MoKα","","0.0546","0.0471","","","0.1305","0.1344","","","","","","1.073","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217210","13.008","0.004","16.887","0.005","18.288","0.007","114.561","0.006","92.22","0.013","95.181","0.009","3626","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C140 H129 Cu13 N50 O6 -","- C140 H120 Cu13 N50 O6 -","- C140 H120 Cu13 N50 O6 -","1","0.5","","Fang, Zhen-Lan; Wu, Xiao-Yuan; Yu, Rong-Min; Lu, Can-Zhong","A microporous cationic metal‒organic framework constructed from metallamacrocycle-based nanocages: structures and luminescence properties","CrystEngComm","2014","16","37","8769","","10.1039/C4CE01185F","","","0.71073","MoKα","","0.1185","0.0808","","","0.1779","0.2098","","","","","","1.079","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217216","17.06","0.0014","29.727","0.003","7.9426","0.0006","90","","90","","90","","4028","0.6","296","2","296","2","","","","","","","","2","I b a 2","I 2 -2c","45","","1-(anthracen-9-yl)pyrene","","- C30 H18 -","- C30 H18 -","- C240 H144 -","8","1","","Nagarajan, Kalaivanan; Rajagopal, Shinaj K.; Hariharan, Mahesh","C‒H⋯H‒C and C‒H⋯π contacts aid transformation of dimeric to monomeric anthracene in the solid state","CrystEngComm","2014","16","38","8946","","10.1039/C4CE01278J","","","0.71073","MoKα","","0.1139","0.0477","","","0.1091","0.169","","","","","","1.022","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217217","7.357","0.005","10.583","0.005","25.606","0.005","90","","96.097","0.005","90","","1982.4","1.7","296","2","296","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","1-(anthracen-9-yl)pyrene","","- C30 H18 -","- C30 H18 -","- C120 H72 -","4","1","","Nagarajan, Kalaivanan; Rajagopal, Shinaj K.; Hariharan, Mahesh","C‒H⋯H‒C and C‒H⋯π contacts aid transformation of dimeric to monomeric anthracene in the solid state","CrystEngComm","2014","16","38","8946","","10.1039/C4CE01278J","","","0.71073","MoKα","","0.0579","0.0412","","","0.1162","0.137","","","","","","1.091","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7217218","16.2326","0.0019","14.5987","0.0019","36.175","0.004","90","","94.93","0.009","90","","8540.9","1.8","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H22 N4 O8 Zn2 -","- C30 H22 N4 O8 Zn2 -","- C240 H176 N32 O64 Zn16 -","8","1","","Safarifard, Vahid; Morsali, Ali","Influence of an amine group on the highly efficient reversible adsorption of iodine in two novel isoreticular interpenetrated pillared-layer microporous metal‒organic frameworks","CrystEngComm","2014","16","37","8660","","10.1039/C4CE01331J","","","0.71073","MoKα","","0.1355","0.0973","","","0.2692","0.2957","","","","","","1.126","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7217219","17.1558","0.0006","13.4604","0.0004","36.1586","0.0011","90","","97.233","0.002","90","","8283.4","0.5","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39.38 H45.88 N9.13 O11.13 Zn2 -","- C29.921 H19.931 N5.989 O8 Zn2 -","- C239.368 H159.448 N47.912 O64 Zn16 -","8","1","","Safarifard, Vahid; Morsali, Ali","Influence of an amine group on the highly efficient reversible adsorption of iodine in two novel isoreticular interpenetrated pillared-layer microporous metal‒organic frameworks","CrystEngComm","2014","16","37","8660","","10.1039/C4CE01331J","","","0.71073","MoKα","","0.1033","0.0722","","","0.2239","0.24","","","","","","1.15","","","","has coordinates,has disorder","180503","2020-10-21","18:00:00",""
"7217220","5.4732","0.0011","14.309","0.003","11.659","0.002","90","","99.48","0.03","90","","900.6","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 N2 O4 -","- C18 H24 N2 O4 -","- C36 H48 N4 O8 -","2","0.5","","Batisai, Eustina; Ayamine, Alban; Kilinkissa, Ornella E. Y.; Báthori, Nikoletta B.","Melting point‒solubility‒structure correlations in multicomponent crystals containing fumaric or adipic acid","CrystEngComm","2014","16","43","9992","","10.1039/C4CE01298D","","","0.71073","MoKα","","0.0671","0.0461","","","0.116","0.1292","","","","","","1.051","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217221","8.746","0.0017","7.217","0.0014","12.799","0.003","90","","92.68","0.03","90","","807","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C32 H36 N4 O8 -","2","0.5","","Batisai, Eustina; Ayamine, Alban; Kilinkissa, Ornella E. Y.; Báthori, Nikoletta B.","Melting point‒solubility‒structure correlations in multicomponent crystals containing fumaric or adipic acid","CrystEngComm","2014","16","43","9992","","10.1039/C4CE01298D","","","0.71073","MoKα","","0.0558","0.0409","","","0.1048","0.114","","","","","","1.052","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217222","9.805","0.002","4.8099","0.001","16.66","0.003","90","","98.91","0.03","90","","776.2","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C32 H36 N4 O8 -","2","0.5","","Batisai, Eustina; Ayamine, Alban; Kilinkissa, Ornella E. Y.; Báthori, Nikoletta B.","Melting point‒solubility‒structure correlations in multicomponent crystals containing fumaric or adipic acid","CrystEngComm","2014","16","43","9992","","10.1039/C4CE01298D","","","0.71073","MoKα","","0.0511","0.0382","","","0.1054","0.1125","","","","","","1.077","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217223","6.9477","0.0014","7.1623","0.0014","10.509","0.002","78.17","0.03","73.89","0.03","62.48","0.03","443.7","0.2","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C18 H24 N2 O4 -","- C18 H24 N2 O4 -","- C18 H24 N2 O4 -","1","1","","Batisai, Eustina; Ayamine, Alban; Kilinkissa, Ornella E. Y.; Báthori, Nikoletta B.","Melting point‒solubility‒structure correlations in multicomponent crystals containing fumaric or adipic acid","CrystEngComm","2014","16","43","9992","","10.1039/C4CE01298D","","","0.71073","MoKα","","0.0429","0.0364","","","0.1037","0.111","","","","","","1.07","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217225","12.4818","0.0014","21.763","0.003","16.509","0.002","90","","103.577","0.005","90","","4359.2","0.9","200","2","200","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C45 H41 Ce2 N3 O16 -","- C45 H40 Ce2 N3 O16 -","- C180 H160 Ce8 N12 O64 -","4","0.5","","Liu, Yen-Hsiang; Chien, Po-Hsiu","A series of lanthanide‒organic frameworks possessing arrays of 2D intersecting channels within a 3D pillar-supported packed double-decker network and Co2±induced luminescence modulation","CrystEngComm","2014","16","37","8852","","10.1039/C4CE00461B","","x-ray","0.71073","MoKα","","0.1265","0.0728","","","0.1404","0.1595","","","","","","1.05","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217226","16.135","0.003","26.792","0.005","18.63","0.004","90","","110.57","0.03","90","","7540","3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C156 H174 Ca5 O44 -","- C156 H174 Ca5 O44 -","- C312 H348 Ca10 O88 -","2","0.5","","Noh, Kyungkyou; Ko, Nakeun; Park, Hye Jeong; Park, SangYoun; Kim, Jaheon","Two porous metal‒organic frameworks containing zinc‒calcium clusters and calcium cluster chains","CrystEngComm","2014","16","37","8664","","10.1039/C4CE01237B","","","0.8","synchrotron","","0.1006","0.0864","","","0.2614","0.2786","","","","","","1.196","","","","has coordinates,has disorder","180503","2020-10-21","18:00:00",""
"7217227","16.55","0.002","16.55","0.002","14.748","0.003","90","","90","","120","","3498.3","0.9","100","2","100","2","","","","","","","chemical reaction","5","P -3 1 c","-P 3 2c","163","ZnCaBTB","ZnCaBTB","","- C69.25 H65.28 Ca O19.14 Zn2 -","- C69.258 H65.316 Ca O19.136 Zn2 -","- C138.516 H130.632 Ca2 O38.272 Zn4 -","2","0.166667","","Noh, Kyungkyou; Ko, Nakeun; Park, Hye Jeong; Park, SangYoun; Kim, Jaheon","Two porous metal‒organic frameworks containing zinc‒calcium clusters and calcium cluster chains","CrystEngComm","2014","16","37","8664","","10.1039/C4CE01237B","","","0.63","synchrotron","","0.0707","0.0701","","","0.2006","0.201","","","","","","1.187","","","","has coordinates,has disorder","180503","2020-10-21","18:00:00",""
"7217228","22.87","0.005","34.647","0.007","9.535","0.002","90","","90","","90","","7555","3","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C8 H9 Ag2 Cr2 N12 O7.5 -","- C8 H9 Ag2 Cr2 N12 O7.5 -","- C128 H144 Ag32 Cr32 N192 O120 -","16","1","","Li, Xinxiong; Gong, Yaqiong; Zhao, Huaixia; Wang, Ruihu","Solvent-mediated crystal-to-crystal transformations from a cationic homometallic metal‒organic framework to heterometallic frameworks","CrystEngComm","2014","16","37","8818","","10.1039/C4CE01035C","","","0.71073","MoKα","","0.0204","0.0199","","","0.0474","0.0477","","","","","","1.005","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7217229","12.8374","0.0001","13","","13.2175","0.0005","118.924","0.008","102.91","0.015","99.902","0.012","1777.6","0.3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C24 H36 Ag9 Cr8 F6 N36 O34 P -","- C24 H36 Ag9 Cr8 F6 N36 O34 P -","- C24 H36 Ag9 Cr8 F6 N36 O34 P -","1","0.5","","Li, Xinxiong; Gong, Yaqiong; Zhao, Huaixia; Wang, Ruihu","Solvent-mediated crystal-to-crystal transformations from a cationic homometallic metal‒organic framework to heterometallic frameworks","CrystEngComm","2014","16","37","8818","","10.1039/C4CE01035C","","","0.71073","MoKα","","0.0346","0.0321","","","0.0859","0.0877","","","","","","1.061","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217230","15.049","0.005","15.269","0.005","22.867","0.005","75.758","0.005","72.92","0.005","70.938","0.005","4681","2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C59 H70 N19 O54 P W11 Zn2.5 -","- C59 H62 N19 O54 P W11 Zn2.5 -","- C118 H124 N38 O108 P2 W22 Zn5 -","2","1","","Song, Bai-Qiao; Wang, Xin-Long; Liang, Jun; Zhang, Yu-Teng; Shao, Kui-Zhan; Su, Zhong-Min","Two hybrid materials assembled from transition metal mono-substituted Keggin polyoxoanions as photocatalysts under visible light","CrystEngComm","2014","16","39","9163","","10.1039/C4CE01148A","","","0.71069","MoKα","","0.0843","0.0465","","","0.0829","0.0966","","","","","","0.99","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7217231","15.078","0.005","15.311","0.005","22.73","0.005","76.136","0.005","72.873","0.005","70.769","0.005","4675","2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C59 H70 Co2.5 N19 O54 P W11 -","- C59 H60 Co2.5 N19 O53 P W11 -","- C118 H120 Co5 N38 O106 P2 W22 -","2","1","","Song, Bai-Qiao; Wang, Xin-Long; Liang, Jun; Zhang, Yu-Teng; Shao, Kui-Zhan; Su, Zhong-Min","Two hybrid materials assembled from transition metal mono-substituted Keggin polyoxoanions as photocatalysts under visible light","CrystEngComm","2014","16","39","9163","","10.1039/C4CE01148A","","","0.71069","MoKα","","0.0675","0.0465","","","0.1101","0.1227","","","","","","1.015","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7217251","17.297","0.002","30.446","0.004","14.7303","0.0019","90","","90","","90","","7757.3","1.7","150","2","150","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C20 H17 N3 Ni O6 -","- C20 H17 N3 Ni O6 -","- C320 H272 N48 Ni16 O96 -","16","1","","Liu, Shuang-De; Kuo, Bing-Chiuan; Liu, Yen-Wen; Lee, Jing-Yi; Wong, Kwun Yip; Lee, Hon Man","Tuning of net architectures of Ni(ii) and Zn(ii) coordination polymers using isomeric organic linkers","CrystEngComm","2014","16","37","8874","","10.1039/C4CE01072H","","x-ray","0.71073","MoKα","","0.0733","0.0684","","","0.1784","0.1824","","","","","","1.165","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217252","11.723","0.002","22.957","0.006","31.011","0.011","90","","90","","90","","8346","4","150","2","150","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C40 H28 N6 Ni2 O9 -","- C40 H28 N6 Ni2 O9 -","- C320 H224 N48 Ni16 O72 -","8","0.5","","Liu, Shuang-De; Kuo, Bing-Chiuan; Liu, Yen-Wen; Lee, Jing-Yi; Wong, Kwun Yip; Lee, Hon Man","Tuning of net architectures of Ni(ii) and Zn(ii) coordination polymers using isomeric organic linkers","CrystEngComm","2014","16","37","8874","","10.1039/C4CE01072H","","x-ray","0.71073","MoKα","","0.046","0.0432","","","0.1066","0.1076","","","","","","1.142","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217253","10.4229","0.0005","10.5611","0.0006","12.2119","0.0006","114.782","0.003","109.889","0.004","96.087","0.003","1097.92","0.11","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 N3 O7 Zn2 -","- C24 H16 N3 O7 Zn2 -","- C48 H32 N6 O14 Zn4 -","2","1","","Liu, Shuang-De; Kuo, Bing-Chiuan; Liu, Yen-Wen; Lee, Jing-Yi; Wong, Kwun Yip; Lee, Hon Man","Tuning of net architectures of Ni(ii) and Zn(ii) coordination polymers using isomeric organic linkers","CrystEngComm","2014","16","37","8874","","10.1039/C4CE01072H","","x-ray","0.71073","MoKα","","0.0583","0.0537","","","0.1472","0.1533","","","","","","1.106","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217254","7.5106","0.0002","31.1959","0.0007","10.5537","0.0003","90","","118.658","0.002","90","","2169.82","0.11","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 N3 O9 Zn2 -","- C22 H15 N3 O9 Zn2 -","- C88 H60 N12 O36 Zn8 -","4","1","","Liu, Shuang-De; Kuo, Bing-Chiuan; Liu, Yen-Wen; Lee, Jing-Yi; Wong, Kwun Yip; Lee, Hon Man","Tuning of net architectures of Ni(ii) and Zn(ii) coordination polymers using isomeric organic linkers","CrystEngComm","2014","16","37","8874","","10.1039/C4CE01072H","","x-ray","0.71073","MoKα","","0.0867","0.0774","","","0.213","0.2229","","","","","","1.198","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217255","7.2889","0.0004","9.7098","0.0005","13.6547","0.0007","95.558","0.001","90.979","0.001","93.688","0.001","959.59","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H17 N3 O8 Zn -","- C21 H15 N3 O8 Zn -","- C42 H30 N6 O16 Zn2 -","2","1","","Liu, Shuang-De; Kuo, Bing-Chiuan; Liu, Yen-Wen; Lee, Jing-Yi; Wong, Kwun Yip; Lee, Hon Man","Tuning of net architectures of Ni(ii) and Zn(ii) coordination polymers using isomeric organic linkers","CrystEngComm","2014","16","37","8874","","10.1039/C4CE01072H","","x-ray","0.71073","MoKα","","0.1166","0.0788","","","0.203","0.2498","","","","","","1.025","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217256","20.233","0.004","10.901","0.002","20.355","0.004","90","","115.467","0.01","90","","4053.3","1.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H28 N6 O15 Zn4 -","- C42 H26 N6 O15 Zn4 -","- C168 H104 N24 O60 Zn16 -","4","0.5","","Liu, Shuang-De; Kuo, Bing-Chiuan; Liu, Yen-Wen; Lee, Jing-Yi; Wong, Kwun Yip; Lee, Hon Man","Tuning of net architectures of Ni(ii) and Zn(ii) coordination polymers using isomeric organic linkers","CrystEngComm","2014","16","37","8874","","10.1039/C4CE01072H","","x-ray","0.71073","MoKα","","0.0906","0.0842","","","0.2378","0.2432","","","","","","1.069","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7217257","14.2985","0.0004","12.5882","0.0003","14.4371","0.0004","90","","112.007","0.001","90","","2409.23","0.11","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 Co N4 O10 -","- C20 H22 Co N4 O10 -","- C80 H88 Co4 N16 O40 -","4","1","","Maity, Dilip Kumar; Bhattacharya, Biswajit; Mondal, Rajarshi; Ghoshal, Debajyoti","Five diverse bivalent metal coordination polymers based on benzene dicarboxylate and bent dipyridyl ligands: syntheses, structures, and photoluminescent properties","CrystEngComm","2014","16","37","8896","","10.1039/C4CE00966E","","","0.71073","MoKα","","0.0565","0.0424","","","0.124","0.1347","","","","","","1.057","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217258","6.728","0.0002","8.6182","0.0002","10.0558","0.0003","97.302","0.001","97.195","0.001","92.055","0.001","572.99","0.03","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H22 Co N4 O6 -","- C22 H22 Co N4 O6 -","- C22 H22 Co N4 O6 -","1","0.5","","Maity, Dilip Kumar; Bhattacharya, Biswajit; Mondal, Rajarshi; Ghoshal, Debajyoti","Five diverse bivalent metal coordination polymers based on benzene dicarboxylate and bent dipyridyl ligands: syntheses, structures, and photoluminescent properties","CrystEngComm","2014","16","37","8896","","10.1039/C4CE00966E","","","0.71073","MoKα","","0.0305","0.0295","","","0.0852","0.0861","","","","","","1.079","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217259","19.004","0.0004","6.6043","0.0001","15.8025","0.0004","90","","111.595","0.002","90","","1844.13","0.07","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H14 N4 O4 Zn -","- C20 H14 N4 O4 Zn -","- C80 H56 N16 O16 Zn4 -","4","0.5","","Maity, Dilip Kumar; Bhattacharya, Biswajit; Mondal, Rajarshi; Ghoshal, Debajyoti","Five diverse bivalent metal coordination polymers based on benzene dicarboxylate and bent dipyridyl ligands: syntheses, structures, and photoluminescent properties","CrystEngComm","2014","16","37","8896","","10.1039/C4CE00966E","","","0.71073","MoKα","","0.0364","0.0316","","","0.0879","0.0907","","","","","","1.091","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217260","10.088","0.005","12.001","0.005","12.044","0.005","84.583","0.005","67.262","0.005","82.802","0.005","1332.5","1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H25 N6 O4 Zn -","- C29 H25 N6 O4 Zn -","- C58 H50 N12 O8 Zn2 -","2","1","","Maity, Dilip Kumar; Bhattacharya, Biswajit; Mondal, Rajarshi; Ghoshal, Debajyoti","Five diverse bivalent metal coordination polymers based on benzene dicarboxylate and bent dipyridyl ligands: syntheses, structures, and photoluminescent properties","CrystEngComm","2014","16","37","8896","","10.1039/C4CE00966E","","","0.71073","MoKα","","0.0564","0.0396","","","0.0882","0.0947","","","","","","1.046","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217261","15.976","0.005","6.097","0.005","20.824","0.005","90","0.005","100.578","0.005","90","0.005","1993.9","1.8","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 Cd N4 O5 -","- C20 H16 Cd N4 O5 -","- C80 H64 Cd4 N16 O20 -","4","0.5","","Maity, Dilip Kumar; Bhattacharya, Biswajit; Mondal, Rajarshi; Ghoshal, Debajyoti","Five diverse bivalent metal coordination polymers based on benzene dicarboxylate and bent dipyridyl ligands: syntheses, structures, and photoluminescent properties","CrystEngComm","2014","16","37","8896","","10.1039/C4CE00966E","","","0.71073","MoKα","","0.0299","0.0258","","","0.0556","0.0574","","","","","","1.043","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217262","13.296","0.001","20.271","0.002","18.723","0.001","90","","114.535","0.003","90","","4590.6","0.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H44 Cl4 O5 P2 Zn2 -","- C44 H42 Cl4 O5 P2 Zn2 -","- C176 H168 Cl16 O20 P8 Zn8 -","4","1","","Galkina, Irina; Tufatullin, Artem; Krivolapov, Dmitry; Bakhtiyarova, Yuliya; Chubukaeva, Dinara; Stakheev, Vitaly; Galkin, Vladimir; Cherkasov, Rafael; Büchner, Bernd; Kataeva, Olga","Crystal structure of phosphonium carboxylate complexes. The role of the metal coordination geometry, ligand conformation and hydrogen bonding","CrystEngComm","2014","16","38","9010","","10.1039/C4CE01361A","","","0.71073","MoKα","","0.201","0.0868","","","0.1801","0.2413","","","","","","1.027","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217263","19.851","0.001","19.805","0.001","12.606","0.001","90","","105.37","0.003","90","","4778.8","0.5","296","2","296","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C84 H88 Cd2 Cl8 Cu2 O14 P4 -","- C84 H88 Cd2 Cl8 Cu2 O14 P4 -","- C168 H176 Cd4 Cl16 Cu4 O28 P8 -","2","0.25","","Galkina, Irina; Tufatullin, Artem; Krivolapov, Dmitry; Bakhtiyarova, Yuliya; Chubukaeva, Dinara; Stakheev, Vitaly; Galkin, Vladimir; Cherkasov, Rafael; Büchner, Bernd; Kataeva, Olga","Crystal structure of phosphonium carboxylate complexes. The role of the metal coordination geometry, ligand conformation and hydrogen bonding","CrystEngComm","2014","16","38","9010","","10.1039/C4CE01361A","","","0.71073","MoKα","","0.1684","0.0392","","","0.0699","0.0985","","","","","","0.845","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217264","13.439","0.004","12.495","0.004","21.984","0.005","90","","90.006","0.005","90","","3691.6","1.8","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H44 Cl2 Hg O6 P2 -","- C36 H44 Cl2 Hg O6 P2 -","- C144 H176 Cl8 Hg4 O24 P8 -","4","0.5","","Galkina, Irina; Tufatullin, Artem; Krivolapov, Dmitry; Bakhtiyarova, Yuliya; Chubukaeva, Dinara; Stakheev, Vitaly; Galkin, Vladimir; Cherkasov, Rafael; Büchner, Bernd; Kataeva, Olga","Crystal structure of phosphonium carboxylate complexes. The role of the metal coordination geometry, ligand conformation and hydrogen bonding","CrystEngComm","2014","16","38","9010","","10.1039/C4CE01361A","","","0.71073","MoKα","","0.0495","0.0413","","","0.0798","0.0825","","","","","","1.132","","","","has coordinates,has disorder","180503","2020-10-21","18:00:00",""
"7217265","18.38","0.01","12.946","0.007","18.556","0.01","90","","97.26","0.01","90","","4380","4","198","2","198","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H50 Cd Cl2 O8 P2 -","- C44 H50 Cd Cl2 O8 P2 -","- C176 H200 Cd4 Cl8 O32 P8 -","4","1","","Galkina, Irina; Tufatullin, Artem; Krivolapov, Dmitry; Bakhtiyarova, Yuliya; Chubukaeva, Dinara; Stakheev, Vitaly; Galkin, Vladimir; Cherkasov, Rafael; Büchner, Bernd; Kataeva, Olga","Crystal structure of phosphonium carboxylate complexes. The role of the metal coordination geometry, ligand conformation and hydrogen bonding","CrystEngComm","2014","16","38","9010","","10.1039/C4CE01361A","","","0.71073","MoKα","","0.1267","0.0702","","","0.1691","0.1924","","","","","","0.943","","","","has coordinates,has disorder","180503","2020-10-21","18:00:00",""
"7217266","19.11","0.002","19.11","0.002","17.309","0.002","90","","90","","90","","6321.1","1.2","150","2","150","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C64 H66 Cd Cl4 O8 P4 -","- C64 H66 Cd Cl4 O8 P4 -","- C256 H264 Cd4 Cl16 O32 P16 -","4","0.25","","Galkina, Irina; Tufatullin, Artem; Krivolapov, Dmitry; Bakhtiyarova, Yuliya; Chubukaeva, Dinara; Stakheev, Vitaly; Galkin, Vladimir; Cherkasov, Rafael; Büchner, Bernd; Kataeva, Olga","Crystal structure of phosphonium carboxylate complexes. The role of the metal coordination geometry, ligand conformation and hydrogen bonding","CrystEngComm","2014","16","38","9010","","10.1039/C4CE01361A","","","0.71073","MoKα","","0.0463","0.0332","","","0.0616","0.0648","","","","","","0.931","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217267","9.565","0.001","9.761","0.001","23.907","0.003","90","","91.139","0.002","90","","2231.6","0.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H23 Cl2 O3 P Zn -","- C22 H23 Cl2 O3 P Zn -","- C88 H92 Cl8 O12 P4 Zn4 -","4","1","","Galkina, Irina; Tufatullin, Artem; Krivolapov, Dmitry; Bakhtiyarova, Yuliya; Chubukaeva, Dinara; Stakheev, Vitaly; Galkin, Vladimir; Cherkasov, Rafael; Büchner, Bernd; Kataeva, Olga","Crystal structure of phosphonium carboxylate complexes. The role of the metal coordination geometry, ligand conformation and hydrogen bonding","CrystEngComm","2014","16","38","9010","","10.1039/C4CE01361A","","","0.71073","MoKα","","0.0316","0.0268","","","0.0705","0.0729","","","","","","1.047","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217268","9.822","0.001","9.894","0.001","12.303","0.001","76.679","0.001","80.871","0.001","76.246","0.001","1123.22","0.19","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H42 Cl4 Hg2 O4 P2 -","- C44 H42 Cl4 Hg2 O4 P2 -","- C44 H42 Cl4 Hg2 O4 P2 -","1","0.5","","Galkina, Irina; Tufatullin, Artem; Krivolapov, Dmitry; Bakhtiyarova, Yuliya; Chubukaeva, Dinara; Stakheev, Vitaly; Galkin, Vladimir; Cherkasov, Rafael; Büchner, Bernd; Kataeva, Olga","Crystal structure of phosphonium carboxylate complexes. The role of the metal coordination geometry, ligand conformation and hydrogen bonding","CrystEngComm","2014","16","38","9010","","10.1039/C4CE01361A","","","0.71073","MoKα","","0.0233","0.0204","","","0.0491","0.0506","","","","","","1.007","","","","has coordinates,has disorder","180503","2020-10-21","18:00:00",""
"7217269","18.129","0.003","12.883","0.002","18.871","0.003","90","","98.154","0.002","90","","4362.9","1.2","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C44 H46 Cl2 O6 P2 Zn -","- C44 H46 Cl2 O6 P2 Zn -","- C176 H184 Cl8 O24 P8 Zn4 -","4","2","","Galkina, Irina; Tufatullin, Artem; Krivolapov, Dmitry; Bakhtiyarova, Yuliya; Chubukaeva, Dinara; Stakheev, Vitaly; Galkin, Vladimir; Cherkasov, Rafael; Büchner, Bernd; Kataeva, Olga","Crystal structure of phosphonium carboxylate complexes. The role of the metal coordination geometry, ligand conformation and hydrogen bonding","CrystEngComm","2014","16","38","9010","","10.1039/C4CE01361A","","","0.71073","MoKα","","0.1553","0.0551","","","0.1185","0.1443","","","","","","0.829","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217270","13.1156","0.0004","14.2632","0.0004","14.7819","0.0004","95.833","0.001","101.823","0.001","115.618","0.001","2383.17","0.12","198","2","198","2","","","","","","","","7","P -1","-P 1","2","","","","- C84 H100 Cd2 Cl8 O20 P4 Zn2 -","- C84 H76 Cd2 Cl8 O8 P4 Zn2 -","- C84 H76 Cd2 Cl8 O8 P4 Zn2 -","1","0.5","","Galkina, Irina; Tufatullin, Artem; Krivolapov, Dmitry; Bakhtiyarova, Yuliya; Chubukaeva, Dinara; Stakheev, Vitaly; Galkin, Vladimir; Cherkasov, Rafael; Büchner, Bernd; Kataeva, Olga","Crystal structure of phosphonium carboxylate complexes. The role of the metal coordination geometry, ligand conformation and hydrogen bonding","CrystEngComm","2014","16","38","9010","","10.1039/C4CE01361A","","","0.71073","MoKα","","0.0623","0.0421","","","0.1187","0.124","","","","","","0.972","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217271","13.1245","0.0005","17.9402","0.0006","18.6539","0.0007","90","","90","","90","","4392.2","0.3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H52 Cl2 O11 P2 Zn -","- C42 H52 Cl2 O11 P2 Zn -","- C168 H208 Cl8 O44 P8 Zn4 -","4","1","","Galkina, Irina; Tufatullin, Artem; Krivolapov, Dmitry; Bakhtiyarova, Yuliya; Chubukaeva, Dinara; Stakheev, Vitaly; Galkin, Vladimir; Cherkasov, Rafael; Büchner, Bernd; Kataeva, Olga","Crystal structure of phosphonium carboxylate complexes. The role of the metal coordination geometry, ligand conformation and hydrogen bonding","CrystEngComm","2014","16","38","9010","","10.1039/C4CE01361A","","","0.71073","MoKα","","0.0322","0.0279","","","0.0694","0.0715","","","","","","1.036","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217272","9.991","0.003","10.612","0.003","24.958","0.006","90","","104.45","0.009","90","","2562.5","1.2","296","2","296","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C54 H50 Cd Cl2 O6 P2 -","- C54 H46 Cd Cl2 O6.01 P2 -","- C108 H92 Cd2 Cl4 O12.02 P4 -","2","0.5","","Galkina, Irina; Tufatullin, Artem; Krivolapov, Dmitry; Bakhtiyarova, Yuliya; Chubukaeva, Dinara; Stakheev, Vitaly; Galkin, Vladimir; Cherkasov, Rafael; Büchner, Bernd; Kataeva, Olga","Crystal structure of phosphonium carboxylate complexes. The role of the metal coordination geometry, ligand conformation and hydrogen bonding","CrystEngComm","2014","16","38","9010","","10.1039/C4CE01361A","","","0.71073","MoKα","","0.0584","0.0471","","","0.1583","0.1653","","","","","","1.162","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217273","12.296","0.001","15.163","0.002","16.486","0.002","91.587","0.001","95.492","0.001","104.08","0.001","2963.6","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C126 H124 Cl2 Cu2 O21 P4 -","- C126 H120 Cl2 Cu2 O21 P4 -","- C126 H120 Cl2 Cu2 O21 P4 -","1","0.5","","Galkina, Irina; Tufatullin, Artem; Krivolapov, Dmitry; Bakhtiyarova, Yuliya; Chubukaeva, Dinara; Stakheev, Vitaly; Galkin, Vladimir; Cherkasov, Rafael; Büchner, Bernd; Kataeva, Olga","Crystal structure of phosphonium carboxylate complexes. The role of the metal coordination geometry, ligand conformation and hydrogen bonding","CrystEngComm","2014","16","38","9010","","10.1039/C4CE01361A","","","0.71073","MoKα","","0.0906","0.0554","","","0.1393","0.1525","","","","","","0.985","","","","has coordinates,has disorder","180503","2020-10-21","18:00:00",""
"7217274","13.451","0.002","12.557","0.002","22.015","0.003","90","","90.216","0.002","90","","3718.4","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H44 Cl2 O6 P2 Zn -","- C36 H44 Cl2 O6 P2 Zn -","- C144 H176 Cl8 O24 P8 Zn4 -","4","0.5","","Galkina, Irina; Tufatullin, Artem; Krivolapov, Dmitry; Bakhtiyarova, Yuliya; Chubukaeva, Dinara; Stakheev, Vitaly; Galkin, Vladimir; Cherkasov, Rafael; Büchner, Bernd; Kataeva, Olga","Crystal structure of phosphonium carboxylate complexes. The role of the metal coordination geometry, ligand conformation and hydrogen bonding","CrystEngComm","2014","16","38","9010","","10.1039/C4CE01361A","","","0.71073","MoKα","","0.0472","0.0421","","","0.1226","0.1264","","","","","","1.006","","","","has coordinates,has disorder","180503","2020-10-21","18:00:00",""
"7217298","9.0285","0.0015","12.877","0.002","17.446","0.003","90","","119.823","0.007","90","","1759.7","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 Cl2 N2 Ru -","- C17 H20 Cl2 N2 Ru -","- C68 H80 Cl8 N8 Ru4 -","4","1","","Cheng, Bao; Tehrani, Alireza Azhdari; Hu, Mao-Lin; Morsali, Ali","Supramolecular assemblies of Ru(ii) organometallic half-sandwich complexes","CrystEngComm","2014","16","38","9125","","10.1039/C4CE01214C","","","0.71073","MoKα","","0.0959","0.0912","","","0.1606","0.1622","","","","","","1.41","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217299","10.1443","0.0017","18.539","0.003","11.6609","0.0015","90","","122.58","0.01","90","","1847.9","0.5","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 Cl2 N2 O0 Ru -","- C18 H22 Cl2 N2 Ru -","- C72 H88 Cl8 N8 Ru4 -","4","1","","Cheng, Bao; Tehrani, Alireza Azhdari; Hu, Mao-Lin; Morsali, Ali","Supramolecular assemblies of Ru(ii) organometallic half-sandwich complexes","CrystEngComm","2014","16","38","9125","","10.1039/C4CE01214C","","","0.71073","MoKα","","0.0588","0.0537","","","0.15","0.1577","","","","","","1.334","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217300","9.24","0.002","21.764","0.005","9.576","0.002","90","","102.591","0.004","90","","1879.4","0.7","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H23 Cl2 N O2 Ru -","- C18 H23 Cl2 N O2 Ru -","- C72 H92 Cl8 N4 O8 Ru4 -","4","1","","Cheng, Bao; Tehrani, Alireza Azhdari; Hu, Mao-Lin; Morsali, Ali","Supramolecular assemblies of Ru(ii) organometallic half-sandwich complexes","CrystEngComm","2014","16","38","9125","","10.1039/C4CE01214C","","","0.71073","MoKα","","0.0856","0.0827","","","0.1395","0.1405","","","","","","1.363","","","","has coordinates","180504","2020-10-21","18:00:00",""
"7217301","7.8773","0.0016","9.0893","0.0019","14.82","0.003","87.187","0.004","83.837","0.003","70.569","0.003","994.8","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H23 Cl2 N O2 Ru -","- C18 H23 Cl2 N O2 Ru -","- C36 H46 Cl4 N2 O4 Ru2 -","2","1","","Cheng, Bao; Tehrani, Alireza Azhdari; Hu, Mao-Lin; Morsali, Ali","Supramolecular assemblies of Ru(ii) organometallic half-sandwich complexes","CrystEngComm","2014","16","38","9125","","10.1039/C4CE01214C","","","0.71073","MoKα","","0.0556","0.0544","","","0.1615","0.1662","","","","","","1.427","","","","has coordinates","180504","2020-10-21","18:00:00",""
"7217302","9.7344","0.0014","13.158","0.002","16.451","0.002","97.681","0.003","92.007","0.003","106.116","0.003","2000.4","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H25 Cl2 N O2 Ru -","- C19 H25 Cl2 N O2 Ru -","- C76 H100 Cl8 N4 O8 Ru4 -","4","2","","Cheng, Bao; Tehrani, Alireza Azhdari; Hu, Mao-Lin; Morsali, Ali","Supramolecular assemblies of Ru(ii) organometallic half-sandwich complexes","CrystEngComm","2014","16","38","9125","","10.1039/C4CE01214C","","","0.71073","MoKα","","0.1103","0.0998","","","0.2314","0.2391","","","","","","1.297","","","","has coordinates","180504","2020-10-21","18:00:00",""
"7217303","7.8252","0.0017","9.227","0.002","17.196","0.004","77.288","0.004","80.06","0.004","69.45","0.004","1127.9","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H29 Cl2 N O2 Ru -","- C21 H29 Cl2 N O2 Ru -","- C42 H58 Cl4 N2 O4 Ru2 -","2","1","","Cheng, Bao; Tehrani, Alireza Azhdari; Hu, Mao-Lin; Morsali, Ali","Supramolecular assemblies of Ru(ii) organometallic half-sandwich complexes","CrystEngComm","2014","16","38","9125","","10.1039/C4CE01214C","","","0.71073","MoKα","","0.0703","0.0686","","","0.1596","0.1677","","","","","","1.286","","","","has coordinates","180504","2020-10-21","18:00:00",""
"7217304","13.381","0.0014","8.933","0.0009","13.2711","0.0013","90","","95.693","0.002","90","","1578.5","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 Cl2 N O2 Ru -","- C15 H17 Cl2 N O2 Ru -","- C60 H68 Cl8 N4 O8 Ru4 -","4","1","","Cheng, Bao; Tehrani, Alireza Azhdari; Hu, Mao-Lin; Morsali, Ali","Supramolecular assemblies of Ru(ii) organometallic half-sandwich complexes","CrystEngComm","2014","16","38","9125","","10.1039/C4CE01214C","","","0.71073","MoKα","","0.1451","0.1411","","","0.2543","0.2562","","","","","","1.441","","","","has coordinates","180504","2020-10-21","18:00:00",""
"7217305","6.6232","0.0008","8.5047","0.001","16.752","0.002","101.87","0.002","96.297","0.003","98.447","0.002","903.83","0.19","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H21 Cl2 N O2 Ru -","- C17 H21 Cl2 N O2 Ru -","- C34 H42 Cl4 N2 O4 Ru2 -","2","1","","Cheng, Bao; Tehrani, Alireza Azhdari; Hu, Mao-Lin; Morsali, Ali","Supramolecular assemblies of Ru(ii) organometallic half-sandwich complexes","CrystEngComm","2014","16","38","9125","","10.1039/C4CE01214C","","","0.71073","MoKα","","0.1424","0.1364","","","0.2832","0.2899","","","","","","1.334","","","","has coordinates","180504","2020-10-21","18:00:00",""
"7217306","8.351","0.003","44.438","0.017","11.41","0.004","90","","98.532","0.005","90","","4187","3","120.15","","120.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","Cabazitaxel","","- C45 H57 N O14 -","- C45 H57 N O14 -","- C180 H228 N4 O56 -","4","2","","Baisch, U.; Vella-Zarb, L.","Towards understanding P-gp resistance: a case study of the antitumour drug cabazitaxel","CrystEngComm","2014","16","44","10161","","10.1039/C4CE01279H","","x-ray","0.6889","","","0.1306","0.0989","","","0.2557","0.276","","","","","","1.051","","","","has coordinates","180504","2020-10-21","18:00:00",""
"7217307","8.506","0.005","45.16","0.02","11.675","0.006","90","","98.362","0.004","90","","4437","4","120.15","","120.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","Cabazitaxel hemihydrate","","- C45 H57.5 N O14.25 -","- C45 H57.5 N O14.25 -","- C180 H230 N4 O57 -","4","2","","Baisch, U.; Vella-Zarb, L.","Towards understanding P-gp resistance: a case study of the antitumour drug cabazitaxel","CrystEngComm","2014","16","44","10161","","10.1039/C4CE01279H","","x-ray","0.6889","","","0.1349","0.1002","","","0.2622","0.2838","","","","","","1.034","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7217308","12.542","0.002","8.6716","0.0016","42.09","0.008","90","","89.987","0.002","90","","4577.7","1.4","120.15","","120.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","Cabazitaxel ethanol solvate hemihydrate","","- C47 H63 N O15.5 -","- C47 H63 N O15.5 -","- C188 H252 N4 O62 -","4","2","","Baisch, U.; Vella-Zarb, L.","Towards understanding P-gp resistance: a case study of the antitumour drug cabazitaxel","CrystEngComm","2014","16","44","10161","","10.1039/C4CE01279H","","x-ray","0.6889","","","0.0575","0.0549","","","0.143","0.1456","","","","","","1.101","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7217309","11.778","0.005","17.208","0.007","12.339","0.005","90","","109.747","0.005","90","","2353.8","1.7","120.15","","120.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","Cabazitaxel tetrahydrofurane solvate","","- C45 H57 N O14 -","- C48.5 H64.02 N O15 -","- C97 H128.04 N2 O30 -","2","1","","Baisch, U.; Vella-Zarb, L.","Towards understanding P-gp resistance: a case study of the antitumour drug cabazitaxel","CrystEngComm","2014","16","44","10161","","10.1039/C4CE01279H","","x-ray","0.6889","","","0.1093","0.0869","","","0.1698","0.1789","","","","","","1.126","","","","has coordinates,has disorder","180504","2020-10-21","18:00:00",""
"7217310","11.725","0.002","17.328","0.003","12.449","0.002","90","","110.453","0.002","90","","2369.8","0.7","120.15","","120.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","Cabazitaxel Acetone Solvate","","- C48 H63 N O15 -","- C48 H63 N O15 -","- C96 H126 N2 O30 -","2","1","","Baisch, U.; Vella-Zarb, L.","Towards understanding P-gp resistance: a case study of the antitumour drug cabazitaxel","CrystEngComm","2014","16","44","10161","","10.1039/C4CE01279H","","x-ray","0.6889","","","0.0334","0.0317","","","0.0805","0.0817","","","","","","1.032","","","","has coordinates,has disorder","180504","2020-10-21","18:00:00",""
"7217320","14.8105","0.0006","10.1034","0.0006","6.8817","0.0003","90","","90","","90","","1029.75","0.09","293","","293","","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C6 H8 Cu2 I2 N2 -","- C6 H8 Cu2 I2 N2 -","- C24 H32 Cu8 I8 N8 -","4","0.5","","Kitada, Nobuo; Ishida, Takayuki","Polymeric one- and two-dimensional copper(i) iodide complexes showing photoluminescence tunable by azaaromatic ligands","CrystEngComm","2014","16","34","8035","","10.1039/C4CE01231C","","","0.71073","MoKα","","","0.0307","","","","0.0549","","","","","","1.052","","","","has coordinates","180504","2020-10-21","18:00:00",""
"7217321","4.2971","0.0012","8.22","0.003","8.247","0.003","110.85","0.03","102.04","0.03","94.82","0.03","262.22","0.17","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C6 H8 Cu2 I2 N2 -","- C6 H8 Cu2 I2 N2 -","- C6 H8 Cu2 I2 N2 -","1","0.5","","Kitada, Nobuo; Ishida, Takayuki","Polymeric one- and two-dimensional copper(i) iodide complexes showing photoluminescence tunable by azaaromatic ligands","CrystEngComm","2014","16","34","8035","","10.1039/C4CE01231C","","","0.71073","MoKα","","","0.059","","","","0.0786","","","","","","1.034","","","","has coordinates","180504","2020-10-21","18:00:00",""
"7217322","4.1718","0.0002","27.4616","0.0014","7.6232","0.0006","90","","97.299","0.003","90","","866.27","0.09","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 Cu I N2 -","- C6 H8 Cu I N2 -","- C24 H32 Cu4 I4 N8 -","4","1","","Kitada, Nobuo; Ishida, Takayuki","Polymeric one- and two-dimensional copper(i) iodide complexes showing photoluminescence tunable by azaaromatic ligands","CrystEngComm","2014","16","34","8035","","10.1039/C4CE01231C","","","0.71073","MoKα","","","0.0683","","","","0.1122","","","","","","1.473","","","","has coordinates","180504","2020-10-21","18:00:00",""
"7217323","14.102","0.005","15.392","0.006","8.233","0.003","90","","97.833","0.018","90","","1770.4","1.1","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H9 Cu I N -","- C7 H9 Cu I N -","- C56 H72 Cu8 I8 N8 -","8","1","","Kitada, Nobuo; Ishida, Takayuki","Polymeric one- and two-dimensional copper(i) iodide complexes showing photoluminescence tunable by azaaromatic ligands","CrystEngComm","2014","16","34","8035","","10.1039/C4CE01231C","","","0.71073","MoKα","","","0.0352","","","","0.0607","","","","","","1.034","","","","has coordinates","180504","2020-10-21","18:00:00",""
"7217324","7.54","0.0015","26.67","0.005","8.2","0.002","90","","97.002","0.018","90","","1636.7","0.6","294","2","294","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 Cl4 Hg N6 -","- C10 H10 Cl4 Hg N6 -","- C40 H40 Cl16 Hg4 N24 -","4","1","","Orvay, Francisca; Bauzá, Antonio; Barceló-Oliver, Miquel; García-Raso, Angel; Fiol, Joan J.; Costa, Antoni; Molins, Elies; Mata, Ignasi; Frontera, Antonio","Synthesis, X-ray characterization and DFT studies of bis-N-imidazolylpyrimidine salts: the prominent role of hydrogen bonding and anion‒π interactions","CrystEngComm","2014","16","38","9043","","10.1039/C4CE01425A","","x-ray","0.71073","MoKα","","0.1012","0.0588","","","0.1529","0.1692","","","","","","1.018","","","","has coordinates,has disorder","180504","2020-10-21","18:00:00",""
"7217325","7.303","0.0018","8.599","0.002","21.577","0.009","90","","94.32","0.03","90","","1351.2","0.7","294","2","294","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H12 Cl2 N6 O -","- C10 H12 Cl2 N6 O -","- C40 H48 Cl8 N24 O4 -","4","1","","Orvay, Francisca; Bauzá, Antonio; Barceló-Oliver, Miquel; García-Raso, Angel; Fiol, Joan J.; Costa, Antoni; Molins, Elies; Mata, Ignasi; Frontera, Antonio","Synthesis, X-ray characterization and DFT studies of bis-N-imidazolylpyrimidine salts: the prominent role of hydrogen bonding and anion‒π interactions","CrystEngComm","2014","16","38","9043","","10.1039/C4CE01425A","","x-ray","0.71073","MoKα","","0.1098","0.0476","","","0.1032","0.1225","","","","","","1.02","","","","has coordinates","180504","2020-10-21","18:00:00",""
"7217326","7.478","0.002","26.697","0.005","8.27","0.003","90","","96.55","0.02","90","","1640.2","0.8","294","2","294","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 Cd Cl4 N6 -","- C10 H10 Cd Cl4 N6 -","- C40 H40 Cd4 Cl16 N24 -","4","1","","Orvay, Francisca; Bauzá, Antonio; Barceló-Oliver, Miquel; García-Raso, Angel; Fiol, Joan J.; Costa, Antoni; Molins, Elies; Mata, Ignasi; Frontera, Antonio","Synthesis, X-ray characterization and DFT studies of bis-N-imidazolylpyrimidine salts: the prominent role of hydrogen bonding and anion‒π interactions","CrystEngComm","2014","16","38","9043","","10.1039/C4CE01425A","","x-ray","0.71073","MoKα","","0.0771","0.0418","","","0.0949","0.1071","","","","","","1.071","","","","has coordinates","180504","2020-10-21","18:00:00",""
"7217327","9.5097","0.0019","11.521","0.003","14.622","0.003","90","","92.794","0.017","90","","1600.1","0.6","294","2","294","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H11 N9 O9 -","- C10 H11 N9 O9 -","- C40 H44 N36 O36 -","4","1","","Orvay, Francisca; Bauzá, Antonio; Barceló-Oliver, Miquel; García-Raso, Angel; Fiol, Joan J.; Costa, Antoni; Molins, Elies; Mata, Ignasi; Frontera, Antonio","Synthesis, X-ray characterization and DFT studies of bis-N-imidazolylpyrimidine salts: the prominent role of hydrogen bonding and anion‒π interactions","CrystEngComm","2014","16","38","9043","","10.1039/C4CE01425A","","x-ray","0.71073","MoKα","","0.1031","0.0534","","","0.1291","0.1459","","","","","","1.034","","","","has coordinates","180504","2020-10-21","18:00:00",""
"7217328","11.395","0.004","14.021","0.006","10.265","0.004","90","","90","","90","","1640","1.1","294","2","294","2","","","","","","","synthesis as described","5","C c m 21","C 2c -2c","36","","","","- C10 H10 Cl4 N6 Zn -","- C10 H10 Cl4 N6 Zn -","- C40 H40 Cl16 N24 Zn4 -","4","0.5","","Orvay, Francisca; Bauzá, Antonio; Barceló-Oliver, Miquel; García-Raso, Angel; Fiol, Joan J.; Costa, Antoni; Molins, Elies; Mata, Ignasi; Frontera, Antonio","Synthesis, X-ray characterization and DFT studies of bis-N-imidazolylpyrimidine salts: the prominent role of hydrogen bonding and anion‒π interactions","CrystEngComm","2014","16","38","9043","","10.1039/C4CE01425A","","x-ray","0.71073","MoKα","","0.0582","0.042","","","0.087","0.0923","","","","","","0.996","","","","has coordinates","180504","2020-10-21","18:00:00",""
"7217376","17.145","0.003","14.709","0.0018","7.0193","0.0011","90","","93.319","0.015","90","","1767.2","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H21 N4 O2 P S2 -","- C12 H21 N4 O2 P S2 -","- C48 H84 N16 O8 P4 S8 -","4","1","","Safin, Damir A.; Babashkina, Maria G.; Robeyns, Koen; Bolte, Michael; Garcia, Yann","N-Salicylidene aniline derivatives based on the N′-thiophosphorylated thiourea scaffold","CrystEngComm","2014","16","30","7053","","10.1039/C4CE00598H","","","0.71073","MoKα","","0.1369","0.1307","","","0.3356","0.3384","","","","","","1.179","","","","has coordinates","180504","2020-10-21","18:00:00",""
"7217380","9.0052","0.0008","11.7572","0.001","12.3225","0.0011","98.558","0.007","106.445","0.007","97.06","0.007","1218.5","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H23 Cl2 N4 O3 P S2 -","- C19 H23 Cl2 N4 O3 P S2 -","- C38 H46 Cl4 N8 O6 P2 S4 -","2","1","","Safin, Damir A.; Babashkina, Maria G.; Robeyns, Koen; Bolte, Michael; Garcia, Yann","N-Salicylidene aniline derivatives based on the N′-thiophosphorylated thiourea scaffold","CrystEngComm","2014","16","30","7053","","10.1039/C4CE00598H","","","0.71073","MoKα","","0.0598","0.0468","","","0.1065","0.1118","","","","","","1.078","","","","has coordinates,has disorder","180504","2020-10-21","18:00:00",""
"7217396","17.435","0.0004","13.8312","0.0003","9.7128","0.0002","90","","96.559","0.001","90","","2326.88","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H33 N3 O6 -","- C21 H33 N3 O6 -","- C84 H132 N12 O24 -","4","1","","Wang, Zijun; Lee, Joseph; Oian, Casey; Hou, Xiaodong; Wang, Zhihan; Ugrinov, Angel; Singh, Rajiv K.; Wysocki, Erin; Chu, Qianli R.","An unsaturated hydrogen bonded network generated from three-fold symmetric carbamates","CrystEngComm","2014","16","31","7176","","10.1039/C4CE00363B","","","1.54178","CuKα","","0.0338","0.0298","","","0.0768","0.0799","","","","","","1.059","","","","has coordinates","180504","2020-10-21","18:00:00",""
"7217397","21.294","0.0014","13.8436","0.001","9.823","0.0007","90","","91.467","0.004","90","","2894.7","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H45 N3 O6 -","- C27 H45 N3 O6 -","- C108 H180 N12 O24 -","4","1","","Wang, Zijun; Lee, Joseph; Oian, Casey; Hou, Xiaodong; Wang, Zhihan; Ugrinov, Angel; Singh, Rajiv K.; Wysocki, Erin; Chu, Qianli R.","An unsaturated hydrogen bonded network generated from three-fold symmetric carbamates","CrystEngComm","2014","16","31","7176","","10.1039/C4CE00363B","","","1.54178","CuKα","","0.0579","0.0487","","","0.1285","0.1336","","","","","","1.121","","","","has coordinates","180504","2020-10-21","18:00:00",""
"7217416","9.9574","0.0004","6.9766","0.0003","14.392","0.0006","90","","105.769","0.001","90","","962.17","0.07","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Cl2 K4 O16 U5 -","- Cl2 K4 O16 U5 -","- Cl4 K8 O32 U10 -","2","0.5","","Read, Cory Michael; Yeon, Jeongho; Smith, Mark D.; zur Loye, Hans-Conrad","Crystal growth, structural characterization, cation‒cation interaction classification, and optical properties of uranium(vi) containing oxychlorides, A4U5O16Cl2(A = K, Rb), Cs5U7O22Cl3, and AUO3Cl (A = Rb, Cs)","CrystEngComm","2014","16","31","7259","","10.1039/C4CE00281D","","","0.71073","MoKα","","0.0383","0.0292","","","0.0586","0.0613","","","","","","1.06","","","","has coordinates","180505","2020-10-21","18:00:00",""
"7217417","10.2164","0.0004","7.016","0.0003","14.493","0.0005","90","","103.829","0.001","90","","1008.72","0.07","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Cl2 O16 Rb4 U5 -","- Cl2 O16 Rb4 U5 -","- Cl4 O32 Rb8 U10 -","2","0.5","","Read, Cory Michael; Yeon, Jeongho; Smith, Mark D.; zur Loye, Hans-Conrad","Crystal growth, structural characterization, cation‒cation interaction classification, and optical properties of uranium(vi) containing oxychlorides, A4U5O16Cl2(A = K, Rb), Cs5U7O22Cl3, and AUO3Cl (A = Rb, Cs)","CrystEngComm","2014","16","31","7259","","10.1039/C4CE00281D","","","0.71073","MoKα","","0.0492","0.0348","","","0.0667","0.0709","","","","","","1.048","","","","has coordinates","180505","2020-10-21","18:00:00",""
"7217418","10.6214","0.0005","18.1071","0.0008","16.0857","0.0007","90","","102.985","0.001","90","","3014.5","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Cl3 Cs5 O22 U7 -","- Cl3 Cs5 O22 U7 -","- Cl12 Cs20 O88 U28 -","4","1","","Read, Cory Michael; Yeon, Jeongho; Smith, Mark D.; zur Loye, Hans-Conrad","Crystal growth, structural characterization, cation‒cation interaction classification, and optical properties of uranium(vi) containing oxychlorides, A4U5O16Cl2(A = K, Rb), Cs5U7O22Cl3, and AUO3Cl (A = Rb, Cs)","CrystEngComm","2014","16","31","7259","","10.1039/C4CE00281D","","","0.71073","MoKα","","0.0628","0.0409","","","0.0734","0.0808","","","","","","1.032","","","","has coordinates","180505","2020-10-21","18:00:00",""
"7217419","7.3602","0.0006","4.1127","0.0003","8.5556","0.0007","90","","104.602","0.002","90","","250.62","0.03","296","2","296","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Cl O3 Rb U -","- Cl O3 Rb U -","- Cl2 O6 Rb2 U2 -","2","0.5","","Read, Cory Michael; Yeon, Jeongho; Smith, Mark D.; zur Loye, Hans-Conrad","Crystal growth, structural characterization, cation‒cation interaction classification, and optical properties of uranium(vi) containing oxychlorides, A4U5O16Cl2(A = K, Rb), Cs5U7O22Cl3, and AUO3Cl (A = Rb, Cs)","CrystEngComm","2014","16","31","7259","","10.1039/C4CE00281D","","","0.71073","MoKα","","0.0357","0.0316","","","0.0685","0.0699","","","","","","1.181","","","","has coordinates","180505","2020-10-21","18:00:00",""
"7217420","7.7768","0.0004","4.1245","0.0002","8.7701","0.0005","90","","105.468","0.001","90","","271.12","0.02","296","2","296","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Cl Cs O3 U -","- Cl Cs O3 U -","- Cl2 Cs2 O6 U2 -","2","0.5","","Read, Cory Michael; Yeon, Jeongho; Smith, Mark D.; zur Loye, Hans-Conrad","Crystal growth, structural characterization, cation‒cation interaction classification, and optical properties of uranium(vi) containing oxychlorides, A4U5O16Cl2(A = K, Rb), Cs5U7O22Cl3, and AUO3Cl (A = Rb, Cs)","CrystEngComm","2014","16","31","7259","","10.1039/C4CE00281D","","","0.71073","MoKα","","0.0289","0.0256","","","0.0563","0.0575","","","","","","1.079","","","","has coordinates","180505","2020-10-21","18:00:00",""
"7217443","7.3579","0.0015","13.615","0.003","17.984","0.004","90","","101.78","0.03","90","","1763.7","0.7","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H3 Cl2 N2 S2 -","- C7 H3 Cl2 N2 S2 -","- C56 H24 Cl16 N16 S16 -","8","2","","Constantinides, Christos P.; Eisler, Dana J.; Alberola, A.; Carter, Emma; Murphy, Damien M.; Rawson, Jeremy M.","Weakening of the π*‒π* dimerisation in 1,2,3,5-dithiadiazolyl radicals: structural, EPR, magnetic and computational studies of dichlorophenyl dithiadiazolyls, Cl2C6H3CNSSN","CrystEngComm","2014","16","31","7298","","10.1039/C4CE00308J","","","0.71073","MoKα","","0.065","0.0432","","","0.079","0.0865","","","","","","1.061","","","","has coordinates","180505","2020-10-21","18:00:00",""
"7217444","15.057","0.003","7.2462","0.0014","15.986","0.003","90","","91.32","0.03","90","","1743.7","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H3 Cl2 N2 S2 -","- C7 H3 Cl2 N2 S2 -","- C56 H24 Cl16 N16 S16 -","8","4","","Constantinides, Christos P.; Eisler, Dana J.; Alberola, A.; Carter, Emma; Murphy, Damien M.; Rawson, Jeremy M.","Weakening of the π*‒π* dimerisation in 1,2,3,5-dithiadiazolyl radicals: structural, EPR, magnetic and computational studies of dichlorophenyl dithiadiazolyls, Cl2C6H3CNSSN","CrystEngComm","2014","16","31","7298","","10.1039/C4CE00308J","","","0.71073","MoKα","","0.0874","0.0556","","","0.1157","0.131","","","","","","1.115","","","","has coordinates","180505","2020-10-21","18:00:00",""
"7217445","7.3271","0.0002","10.3563","0.0003","24.6666","0.0007","88.096","0.002","81.458","0.002","77.009","0.001","1803.6","0.09","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H3 Cl2 N2 S2 -","- C7 H3 Cl2 N2 S2 -","- C56 H24 Cl16 N16 S16 -","8","4","","Constantinides, Christos P.; Eisler, Dana J.; Alberola, A.; Carter, Emma; Murphy, Damien M.; Rawson, Jeremy M.","Weakening of the π*‒π* dimerisation in 1,2,3,5-dithiadiazolyl radicals: structural, EPR, magnetic and computational studies of dichlorophenyl dithiadiazolyls, Cl2C6H3CNSSN","CrystEngComm","2014","16","31","7298","","10.1039/C4CE00308J","","","0.71073","MoKα","","0.071","0.0491","","","0.1003","0.1119","","","","","","1.05","","","","has coordinates","180505","2020-10-21","18:00:00",""
"7217446","7.2196","0.0004","11.8203","0.0006","20.893","0.001","90","","97.366","0.002","90","","1768.25","0.16","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H3 Cl2 N2 S2 -","- C7 H3 Cl2 N2 S2 -","- C56 H24 Cl16 N16 S16 -","8","2","","Constantinides, Christos P.; Eisler, Dana J.; Alberola, A.; Carter, Emma; Murphy, Damien M.; Rawson, Jeremy M.","Weakening of the π*‒π* dimerisation in 1,2,3,5-dithiadiazolyl radicals: structural, EPR, magnetic and computational studies of dichlorophenyl dithiadiazolyls, Cl2C6H3CNSSN","CrystEngComm","2014","16","31","7298","","10.1039/C4CE00308J","","","0.71073","MoKα","","0.0624","0.0476","","","0.121","0.1289","","","","","","1.057","","","","has coordinates","180505","2020-10-21","18:00:00",""
"7217447","7.2604","0.0015","20.872","0.004","36.565","0.007","98.49","0.03","95.63","0.03","95.1","0.03","5424","2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H3 Cl2 N2 S2 -","- C7 H3 Cl2 N2 S2 -","- C168 H72 Cl48 N48 S48 -","24","12","","Constantinides, Christos P.; Eisler, Dana J.; Alberola, A.; Carter, Emma; Murphy, Damien M.; Rawson, Jeremy M.","Weakening of the π*‒π* dimerisation in 1,2,3,5-dithiadiazolyl radicals: structural, EPR, magnetic and computational studies of dichlorophenyl dithiadiazolyls, Cl2C6H3CNSSN","CrystEngComm","2014","16","31","7298","","10.1039/C4CE00308J","","","0.71073","MoKα","","0.1763","0.1437","","","0.2447","0.2565","","","","","","1.324","","","","has coordinates","180505","2020-10-21","18:00:00",""
"7217450","24.1816","0.0006","10.4269","0.0003","11.7456","0.0003","90","","90","","90","","2961.53","0.14","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C35 H36 Cl2 N4 O -","- C35 H36 Cl2 N4 O -","- C140 H144 Cl8 N16 O4 -","4","1","","Cross, Jacob T.; Rossi, Nicholas A.; Serafin, Mateusz; Wheeler, Kraig A.","Tröger's base quasiracemates and crystal packing tendencies","CrystEngComm","2014","16","31","7251","","10.1039/C4CE00323C","","","1.54178","CuKα","","0.0553","0.0399","","","0.0911","0.0999","","","","","","0.94","","","","has coordinates","180505","2020-10-21","18:00:00",""
"7217451","6.3103","0.0002","10.254","0.0003","10.7089","0.0003","83.053","0.001","77.266","0.002","80.846","0.001","664.62","0.03","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C30 H24 Br2 Cl2 N4 -","- C30 H24 Br2 Cl2 N4 -","- C30 H24 Br2 Cl2 N4 -","1","1","","Cross, Jacob T.; Rossi, Nicholas A.; Serafin, Mateusz; Wheeler, Kraig A.","Tröger's base quasiracemates and crystal packing tendencies","CrystEngComm","2014","16","31","7251","","10.1039/C4CE00323C","","","1.54178","CuKα","","0.0319","0.0316","","","0.093","0.0934","","","","","","1.11","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7217452","6.0409","0.0002","8.0224","0.0003","27.0534","0.001","90","","90","","90","","1311.08","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16.36 H16.07 Cl0.64 N2 -","- C16.356 H16.068 Cl0.644 N2 -","- C65.424 H64.272 Cl2.576 N8 -","4","1","","Cross, Jacob T.; Rossi, Nicholas A.; Serafin, Mateusz; Wheeler, Kraig A.","Tröger's base quasiracemates and crystal packing tendencies","CrystEngComm","2014","16","31","7251","","10.1039/C4CE00323C","","","1.54178","CuKα","","0.0418","0.0376","","","0.0898","0.0914","","","","","","1.191","","","","has coordinates,has disorder","180505","2020-10-21","18:00:00",""
"7217453","6.3568","0.0004","10.4138","0.0007","10.7105","0.0007","82.302","0.004","75.969","0.003","82.058","0.003","677.53","0.08","120","2","120","2","","","","","","","","4","P 1","P 1","1","","","","- C31.23 H27.68 Br2.74 N4 -","- C31.226 H27.678 Br2.736 N4 -","- C31.226 H27.678 Br2.736 N4 -","1","1","","Cross, Jacob T.; Rossi, Nicholas A.; Serafin, Mateusz; Wheeler, Kraig A.","Tröger's base quasiracemates and crystal packing tendencies","CrystEngComm","2014","16","31","7251","","10.1039/C4CE00323C","","","0.71073","MoKα","","0.0434","0.0376","","","0.0934","0.096","","","","","","1.027","","","","has coordinates,has disorder","180505","2020-10-21","18:00:00",""
"7217454","7.8192","0.0002","9.8988","0.0003","18.2061","0.0005","78.154","0.002","79.977","0.002","72.633","0.001","1306.65","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H12 Cl2 N2 -","- C15 H12 Cl2 N2 -","- C60 H48 Cl8 N8 -","4","2","","Cross, Jacob T.; Rossi, Nicholas A.; Serafin, Mateusz; Wheeler, Kraig A.","Tröger's base quasiracemates and crystal packing tendencies","CrystEngComm","2014","16","31","7251","","10.1039/C4CE00323C","","","0.71073","MoKα","","0.0296","0.0243","","","0.0591","0.0623","","","","","","1.046","","","","has coordinates","180505","2020-10-21","18:00:00",""
"7217455","6.0853","0.0005","13.6203","0.0014","16.017","0.002","90","","92.009","0.009","90","","1326.7","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 Cl2 N2 -","- C15 H12 Cl2 N2 -","- C60 H48 Cl8 N8 -","4","1","","Cross, Jacob T.; Rossi, Nicholas A.; Serafin, Mateusz; Wheeler, Kraig A.","Tröger's base quasiracemates and crystal packing tendencies","CrystEngComm","2014","16","31","7251","","10.1039/C4CE00323C","","","0.71073","MoKα","","0.0641","0.0406","","","0.0918","0.1026","","","","","","1.051","","","","has coordinates,has disorder","180505","2020-10-21","18:00:00",""
"7217456","8.4113","0.0001","9.0495","0.0001","25.1456","0.0003","90","","90","","90","","1914.03","0.04","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 Br2 Cl4 N2 -","- C16 H14 Br2 Cl4 N2 -","- C64 H56 Br8 Cl16 N8 -","4","1","","Cross, Jacob T.; Rossi, Nicholas A.; Serafin, Mateusz; Wheeler, Kraig A.","Tröger's base quasiracemates and crystal packing tendencies","CrystEngComm","2014","16","31","7251","","10.1039/C4CE00323C","","","1.54178","CuKα","","0.028","0.0278","","","0.094","0.094","","","","","","1.222","","","","has coordinates","180505","2020-10-21","18:00:00",""
"7217457","5.7702","0.0001","15.3388","0.0002","13.9156","0.0002","90","","94.316","0.001","90","","1228.15","0.03","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Cl2 N2 -","- C14 H10 Cl2 N2 -","- C56 H40 Cl8 N8 -","4","1","","Cross, Jacob T.; Rossi, Nicholas A.; Serafin, Mateusz; Wheeler, Kraig A.","Tröger's base quasiracemates and crystal packing tendencies","CrystEngComm","2014","16","31","7251","","10.1039/C4CE00323C","","","1.54178","CuKα","","0.0518","0.0382","","","0.0958","0.1035","","","","","","1.052","","","","has coordinates","180505","2020-10-21","18:00:00",""
"7217600","11.7903","0.0015","9.314","0.0013","14.652","0.002","90","","94.385","0.002","90","","1604.3","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16.6 Co N2 O7.3 P2 -","- C12 H16 Co N2 O7.3 P2 -","- C48 H64 Co4 N8 O29.2 P8 -","4","1","","Tang, Si-Fu; Li, Liang-Jun; Wang, Chao; Zhao, Xue-Bo","Investigation of the structure variation of metal diphosphonates with the changing of N-donor auxiliary ligands and their properties","CrystEngComm","2014","16","38","9104","","10.1039/C4CE01266F","","","0.71073","MoKα","","0.0508","0.039","","","0.0941","0.1018","","","","","","1.04","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7217601","17.119","0.002","8.9053","0.0012","12.389","0.0017","90","","124.674","0.002","90","","1553.3","0.4","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H18 N2 Ni O8 P2 -","- C12 H18 N2 Ni O8 P2 -","- C48 H72 N8 Ni4 O32 P8 -","4","0.5","","Tang, Si-Fu; Li, Liang-Jun; Wang, Chao; Zhao, Xue-Bo","Investigation of the structure variation of metal diphosphonates with the changing of N-donor auxiliary ligands and their properties","CrystEngComm","2014","16","38","9104","","10.1039/C4CE01266F","","","0.71073","MoKα","","0.0353","0.0319","","","0.0831","0.0851","","","","","","1.064","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217602","23.7747","0.0014","23.7747","0.0014","28.216","0.004","90","","90","","120","","13812","2","296","2","296","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C28 H30 N4 Ni O8 P2 -","- C28 H30 N4 Ni O8 P2 -","- C504 H540 N72 Ni18 O144 P36 -","18","1","","Tang, Si-Fu; Li, Liang-Jun; Wang, Chao; Zhao, Xue-Bo","Investigation of the structure variation of metal diphosphonates with the changing of N-donor auxiliary ligands and their properties","CrystEngComm","2014","16","38","9104","","10.1039/C4CE01266F","","","0.71073","MoKα","","0.1272","0.0666","","","0.1512","0.1891","","","","","","1.013","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217603","10.3111","0.0016","10.7447","0.0017","11.805","0.002","71.192","0.004","65.659","0.004","83.226","0.004","1127.8","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H24 N2 Ni O9 P2 -","- C18 H24 N2 Ni O9 P2 -","- C36 H48 N4 Ni2 O18 P4 -","2","1","","Tang, Si-Fu; Li, Liang-Jun; Wang, Chao; Zhao, Xue-Bo","Investigation of the structure variation of metal diphosphonates with the changing of N-donor auxiliary ligands and their properties","CrystEngComm","2014","16","38","9104","","10.1039/C4CE01266F","","","0.71073","MoKα","","0.1078","0.0586","","","0.115","0.1341","","","","","","0.973","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217604","10.3161","0.0014","11.508","0.003","12.0717","0.0016","105.48","0.003","109.935","0.002","101.391","0.004","1230.8","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H28 N2 Ni O10 P2 -","- C20 H28 N2 Ni O10 P2 -","- C40 H56 N4 Ni2 O20 P4 -","2","1","","Tang, Si-Fu; Li, Liang-Jun; Wang, Chao; Zhao, Xue-Bo","Investigation of the structure variation of metal diphosphonates with the changing of N-donor auxiliary ligands and their properties","CrystEngComm","2014","16","38","9104","","10.1039/C4CE01266F","","","0.71073","MoKα","","0.0879","0.0492","","","0.1002","0.1115","","","","","","0.979","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217605","16.906","0.011","8.996","0.006","12.435","0.008","90","","125.406","0.012","90","","1541.5","1.8","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H18 Cu N2 O8 P2 -","- C12 H18 Cu N2 O8 P2 -","- C48 H72 Cu4 N8 O32 P8 -","4","0.5","","Tang, Si-Fu; Li, Liang-Jun; Wang, Chao; Zhao, Xue-Bo","Investigation of the structure variation of metal diphosphonates with the changing of N-donor auxiliary ligands and their properties","CrystEngComm","2014","16","38","9104","","10.1039/C4CE01266F","","","0.71073","MoKα","","0.0628","0.0442","","","0.1019","0.1104","","","","","","1.056","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217606","7.309","0.003","8.365","0.004","9.315","0.004","97.459","0.006","112.125","0.006","90.768","0.007","521.9","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H22 Cu N2 O8 P2 -","- C18 H22 Cu N2 O8 P2 -","- C18 H22 Cu N2 O8 P2 -","1","0.5","","Tang, Si-Fu; Li, Liang-Jun; Wang, Chao; Zhao, Xue-Bo","Investigation of the structure variation of metal diphosphonates with the changing of N-donor auxiliary ligands and their properties","CrystEngComm","2014","16","38","9104","","10.1039/C4CE01266F","","","0.71073","MoKα","","0.0745","0.0519","","","0.1276","0.1352","","","","","","1.064","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217607","9.1979","0.0007","10.0023","0.0009","12.2994","0.0009","85.738","0.003","77.906","0.002","65.089","0.003","1003.37","0.14","275","2","275","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H18 N2 O6 P2 Zn -","- C18 H18 N2 O6 P2 Zn -","- C36 H36 N4 O12 P4 Zn2 -","2","1","","Tang, Si-Fu; Li, Liang-Jun; Wang, Chao; Zhao, Xue-Bo","Investigation of the structure variation of metal diphosphonates with the changing of N-donor auxiliary ligands and their properties","CrystEngComm","2014","16","38","9104","","10.1039/C4CE01266F","","","0.71073","MoKα","","0.0752","0.0416","","","0.0817","0.0891","","","","","","1.02","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217608","17.447","0.002","8.7795","0.0011","12.845","0.003","90","","123.703","0.001","90","","1636.8","0.5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H18 Cd N2 O8 P2 -","- C12 H18 Cd N2 O8 P2 -","- C48 H72 Cd4 N8 O32 P8 -","4","0.5","","Tang, Si-Fu; Li, Liang-Jun; Wang, Chao; Zhao, Xue-Bo","Investigation of the structure variation of metal diphosphonates with the changing of N-donor auxiliary ligands and their properties","CrystEngComm","2014","16","38","9104","","10.1039/C4CE01266F","","","0.71073","MoKα","","0.0368","0.0296","","","0.0724","0.0761","","","","","","1.039","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217627","29.627","0.003","29.627","0.003","29.627","","90","","90","","90","","26005","4","293","2","293","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C75 H38 Cu6 N6 O36 -","- C75 H39 Cu6 N6 O36 -","- C600 H312 Cu48 N48 O288 -","8","0.25","","Zheng, Baishu; Lin, Xiu; Wang, Zhaoxu; Yun, Ruirui; Fan, Yanpeng; Ding, Mingsheng; Hu, Xiaolian; Yi, Pinggui","Enhanced water stability of a microporous acylamide-functionalized metal‒organic framework via interpenetration and methyl decoration","CrystEngComm","2014","16","41","9586","","10.1039/C4CE01165A","","","0.71073","MoKα","","0.1257","0.0958","","","0.3059","0.3233","","","","","","1.199","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217628","10.4839","0.0018","11.84","0.003","14.034","0.002","105.645","0.011","101.222","0.009","112.358","0.005","1462.5","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H19 Fe2 N5 O9 -","- C26 H19 Fe2 N5 O9 -","- C52 H38 Fe4 N10 O18 -","2","1","","Li, Qipeng; Tian, Chongbin; Zhang, Huabin; Qian, Jinjie; Du, Shaowu","An alternative strategy to construct Fe(ii)-based MOFs with multifarious structures and magnetic behaviors","CrystEngComm","2014","16","39","9208","","10.1039/C4CE01414F","","","0.71073","MoKα","","0.043","0.0352","","","0.1121","0.1268","","","","","","1.043","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217629","10.996","0.004","10.359","0.004","7.723","0.003","90","","102.018","0.006","90","","860.4","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H7 Fe N O6 -","- C7 H7 Fe N O6 -","- C28 H28 Fe4 N4 O24 -","4","1","","Li, Qipeng; Tian, Chongbin; Zhang, Huabin; Qian, Jinjie; Du, Shaowu","An alternative strategy to construct Fe(ii)-based MOFs with multifarious structures and magnetic behaviors","CrystEngComm","2014","16","39","9208","","10.1039/C4CE01414F","","","0.71073","MoKα","","0.0459","0.0381","","","0.0949","0.0975","","","","","","1.138","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217630","7.137","0.003","7.968","0.003","9.108","0.004","75.892","0.017","68.644","0.015","76.345","0.016","461.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H7 Fe N O7 -","- C7 H7 Fe N O7 -","- C14 H14 Fe2 N2 O14 -","2","1","","Li, Qipeng; Tian, Chongbin; Zhang, Huabin; Qian, Jinjie; Du, Shaowu","An alternative strategy to construct Fe(ii)-based MOFs with multifarious structures and magnetic behaviors","CrystEngComm","2014","16","39","9208","","10.1039/C4CE01414F","","","0.71073","MoKα","","0.0323","0.03","","","0.1144","0.1191","","","","","","1.065","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217631","10.1761","0.0009","5.9639","0.0005","13.3111","0.0014","90","","96.591","0.006","90","","802.5","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H4 Fe N2 O4 -","- C9 H4 Fe N2 O4 -","- C36 H16 Fe4 N8 O16 -","4","1","","Li, Qipeng; Tian, Chongbin; Zhang, Huabin; Qian, Jinjie; Du, Shaowu","An alternative strategy to construct Fe(ii)-based MOFs with multifarious structures and magnetic behaviors","CrystEngComm","2014","16","39","9208","","10.1039/C4CE01414F","","","0.71073","MoKα","","0.0442","0.0364","","","0.1064","0.1207","","","","","","0.963","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217632","9.345","0.009","6.916","0.004","14.615","0.009","90","","104.44","0.05","90","","914.7","1.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 Fe N2 O5 -","- C9 H6 Fe N2 O5 -","- C36 H24 Fe4 N8 O20 -","4","1","","Li, Qipeng; Tian, Chongbin; Zhang, Huabin; Qian, Jinjie; Du, Shaowu","An alternative strategy to construct Fe(ii)-based MOFs with multifarious structures and magnetic behaviors","CrystEngComm","2014","16","39","9208","","10.1039/C4CE01414F","","","0.71073","MoKα","","0.0387","0.0331","","","0.1135","0.1237","","","","","","1.05","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217633","7.292","0.003","10.07","0.004","10.272","0.004","113.983","0.003","99.683","0.001","103.652","0.005","639.4","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H11 Fe N O6 -","- C13 H11 Fe N O6 -","- C26 H22 Fe2 N2 O12 -","2","1","","Li, Qipeng; Tian, Chongbin; Zhang, Huabin; Qian, Jinjie; Du, Shaowu","An alternative strategy to construct Fe(ii)-based MOFs with multifarious structures and magnetic behaviors","CrystEngComm","2014","16","39","9208","","10.1039/C4CE01414F","","","0.71073","MoKα","","0.0407","0.0365","","","0.1217","0.1276","","","","","","1.04","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217645","7.702","0.0019","11.163","0.003","11.884","0.003","106.861","0.002","92.79","0.002","94.258","0.002","972.5","0.4","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H18 Cu F20 O6 -","- C44 H18 Cu F20 O6 -","- C44 H18 Cu F20 O6 -","1","0.5","","Hori, Akiko; Nakajima, Kyosuke; Akimoto, Yuuki; Naganuma, Kohei; Yuge, Hidetaka","Guest-adjusted encapsulation and thermal studies of non-porous mononuclear Cu(ii) coordination complexes through electrostatic interactions induced by fluorine substitution","CrystEngComm","2014","16","37","8805","","10.1039/C4CE01243G","","","0.71073","MoKα","","0.03","0.0271","","","0.071","0.0729","","","","","","1.056","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217646","14.845","0.003","31.844","0.007","10.082","0.002","90","","111.011","0.002","90","","4449.1","1.6","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H26 Cu F20 O4 -","- C48 H26 Cu F20 O4 -","- C192 H104 Cu4 F80 O16 -","4","0.5","","Hori, Akiko; Nakajima, Kyosuke; Akimoto, Yuuki; Naganuma, Kohei; Yuge, Hidetaka","Guest-adjusted encapsulation and thermal studies of non-porous mononuclear Cu(ii) coordination complexes through electrostatic interactions induced by fluorine substitution","CrystEngComm","2014","16","37","8805","","10.1039/C4CE01243G","","","0.71073","MoKα","","0.036","0.0299","","","0.0785","0.0822","","","","","","1.045","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217647","7.319","0.003","9.625","0.003","12.998","0.005","82.099","0.004","76.943","0.004","88.95","0.004","883.4","0.6","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H16 Cu F20 O4 -","- C40 H16 Cu F20 O4 -","- C40 H16 Cu F20 O4 -","1","0.5","","Hori, Akiko; Nakajima, Kyosuke; Akimoto, Yuuki; Naganuma, Kohei; Yuge, Hidetaka","Guest-adjusted encapsulation and thermal studies of non-porous mononuclear Cu(ii) coordination complexes through electrostatic interactions induced by fluorine substitution","CrystEngComm","2014","16","37","8805","","10.1039/C4CE01243G","","","0.71073","MoKα","","0.0368","0.0322","","","0.0816","0.0847","","","","","","1.059","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217648","9.8602","0.0012","16.961","0.002","24.948","0.003","90","","90","","90","","4172.3","0.9","100","","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C46 H22 Cu F20 O4 -","- C46 H22 Cu F20 O4 -","- C184 H88 Cu4 F80 O16 -","4","1","","Hori, Akiko; Nakajima, Kyosuke; Akimoto, Yuuki; Naganuma, Kohei; Yuge, Hidetaka","Guest-adjusted encapsulation and thermal studies of non-porous mononuclear Cu(ii) coordination complexes through electrostatic interactions induced by fluorine substitution","CrystEngComm","2014","16","37","8805","","10.1039/C4CE01243G","","","0.71073","MoKα","","0.0284","0.025","","","0.0623","0.0642","","","","","","1.019","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217649","7.7727","0.0017","12.309","0.003","12.672","0.003","65.03","0.002","85.208","0.002","79.032","0.002","1079","0.4","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H22 Cu F20 O8 -","- C46 H22 Cu F20 O8 -","- C46 H22 Cu F20 O8 -","1","0.5","","Hori, Akiko; Nakajima, Kyosuke; Akimoto, Yuuki; Naganuma, Kohei; Yuge, Hidetaka","Guest-adjusted encapsulation and thermal studies of non-porous mononuclear Cu(ii) coordination complexes through electrostatic interactions induced by fluorine substitution","CrystEngComm","2014","16","37","8805","","10.1039/C4CE01243G","","","0.71073","MoKα","","0.0367","0.0299","","","0.0743","0.0785","","","","","","1.041","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217650","12.3918","0.0008","10.5445","0.0006","10.1291","0.0006","90","","91.106","0.001","90","","1323.28","0.14","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H6 Cu F16 O4 -","- C30 H6 Cu F16 O4 -","- C60 H12 Cu2 F32 O8 -","2","0.5","","Hori, Akiko; Nakajima, Kyosuke; Akimoto, Yuuki; Naganuma, Kohei; Yuge, Hidetaka","Guest-adjusted encapsulation and thermal studies of non-porous mononuclear Cu(ii) coordination complexes through electrostatic interactions induced by fluorine substitution","CrystEngComm","2014","16","37","8805","","10.1039/C4CE01243G","","","0.71073","MoKα","","0.0318","0.0272","","","0.0676","0.0699","","","","","","1.091","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217651","8.8327","0.0004","20.6413","0.001","10.515","0.0005","90","","106.655","0.001","90","","1836.65","0.15","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H18 Cu F16 O4 -","- C42 H18 Cu F16 O4 -","- C84 H36 Cu2 F32 O8 -","2","0.5","","Hori, Akiko; Nakajima, Kyosuke; Akimoto, Yuuki; Naganuma, Kohei; Yuge, Hidetaka","Guest-adjusted encapsulation and thermal studies of non-porous mononuclear Cu(ii) coordination complexes through electrostatic interactions induced by fluorine substitution","CrystEngComm","2014","16","37","8805","","10.1039/C4CE01243G","","","0.71073","MoKα","","0.0299","0.027","","","0.0716","0.0731","","","","","","1.047","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217652","7.728","0.002","11.089","0.003","12.681","0.004","106.688","0.003","104.543","0.003","92.432","0.003","999.9","0.5","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H22 Cu F16 O6 -","- C44 H22 Cu F16 O6 -","- C44 H22 Cu F16 O6 -","1","0.5","","Hori, Akiko; Nakajima, Kyosuke; Akimoto, Yuuki; Naganuma, Kohei; Yuge, Hidetaka","Guest-adjusted encapsulation and thermal studies of non-porous mononuclear Cu(ii) coordination complexes through electrostatic interactions induced by fluorine substitution","CrystEngComm","2014","16","37","8805","","10.1039/C4CE01243G","","","0.71073","MoKα","","0.0292","0.0269","","","0.0721","0.0739","","","","","","1.067","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217653","29.351","0.003","10.5754","0.0012","21.985","0.003","90","","96.857","0.001","90","","6775.3","1.4","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H16 Cu F16 O4 -","- C38 H16 Cu F16 O4 -","- C304 H128 Cu8 F128 O32 -","8","1","","Hori, Akiko; Nakajima, Kyosuke; Akimoto, Yuuki; Naganuma, Kohei; Yuge, Hidetaka","Guest-adjusted encapsulation and thermal studies of non-porous mononuclear Cu(ii) coordination complexes through electrostatic interactions induced by fluorine substitution","CrystEngComm","2014","16","37","8805","","10.1039/C4CE01243G","","","0.71073","MoKα","","0.0721","0.0374","","","0.0765","0.0901","","","","","","1.003","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217654","8.0572","0.0014","23.306","0.004","10.5652","0.0018","90","","105.83","0.002","90","","1908.7","0.6","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H22 Cu F16 O4 -","- C44 H22 Cu F16 O4 -","- C88 H44 Cu2 F32 O8 -","2","0.5","","Hori, Akiko; Nakajima, Kyosuke; Akimoto, Yuuki; Naganuma, Kohei; Yuge, Hidetaka","Guest-adjusted encapsulation and thermal studies of non-porous mononuclear Cu(ii) coordination complexes through electrostatic interactions induced by fluorine substitution","CrystEngComm","2014","16","37","8805","","10.1039/C4CE01243G","","","0.71073","MoKα","","0.038","0.0314","","","0.0767","0.0801","","","","","","1.04","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217655","7.225","0.002","10.922","0.004","16.756","0.005","88.023","0.004","86.76","0.003","86.128","0.004","1316.5","0.7","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H10 Cu F12 O4 -","- C30 H10 Cu F12 O4 -","- C60 H20 Cu2 F24 O8 -","2","1","","Hori, Akiko; Nakajima, Kyosuke; Akimoto, Yuuki; Naganuma, Kohei; Yuge, Hidetaka","Guest-adjusted encapsulation and thermal studies of non-porous mononuclear Cu(ii) coordination complexes through electrostatic interactions induced by fluorine substitution","CrystEngComm","2014","16","37","8805","","10.1039/C4CE01243G","","","0.71073","MoKα","","0.0388","0.0291","","","0.0707","0.0752","","","","","","1.019","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217656","8.706","0.0014","17.782","0.003","23.038","0.004","90","","99.888","0.002","90","","3513.5","1","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H22 Cu F12 O4 -","- C42 H22 Cu F12 O4 -","- C168 H88 Cu4 F48 O16 -","4","0.5","","Hori, Akiko; Nakajima, Kyosuke; Akimoto, Yuuki; Naganuma, Kohei; Yuge, Hidetaka","Guest-adjusted encapsulation and thermal studies of non-porous mononuclear Cu(ii) coordination complexes through electrostatic interactions induced by fluorine substitution","CrystEngComm","2014","16","37","8805","","10.1039/C4CE01243G","","","0.71073","MoKα","","0.056","0.0422","","","0.0999","0.1069","","","","","","1.025","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217657","7.126","0.0015","11.308","0.002","13.124","0.003","111.308","0.002","95.096","0.002","100.13","0.002","956.3","0.3","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H26 Cu F12 O6 -","- C44 H26 Cu F12 O6 -","- C44 H26 Cu F12 O6 -","1","0.5","","Hori, Akiko; Nakajima, Kyosuke; Akimoto, Yuuki; Naganuma, Kohei; Yuge, Hidetaka","Guest-adjusted encapsulation and thermal studies of non-porous mononuclear Cu(ii) coordination complexes through electrostatic interactions induced by fluorine substitution","CrystEngComm","2014","16","37","8805","","10.1039/C4CE01243G","","","0.71073","MoKα","","0.033","0.0299","","","0.0802","0.0823","","","","","","1.033","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217658","7.4012","0.0005","25.6642","0.0016","17.3466","0.0011","90","","93.996","0.001","90","","3286.9","0.4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H20 Cu F12 O4 -","- C38 H20 Cu F12 O4 -","- C152 H80 Cu4 F48 O16 -","4","1","","Hori, Akiko; Nakajima, Kyosuke; Akimoto, Yuuki; Naganuma, Kohei; Yuge, Hidetaka","Guest-adjusted encapsulation and thermal studies of non-porous mononuclear Cu(ii) coordination complexes through electrostatic interactions induced by fluorine substitution","CrystEngComm","2014","16","37","8805","","10.1039/C4CE01243G","","","0.71073","MoKα","","0.0595","0.0368","","","0.0902","0.1057","","","","","","1.055","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217659","7.0546","0.0011","9.8563","0.0015","16.396","0.003","73.042","0.002","88.21","0.002","71.792","0.002","1033.6","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H34 Cu F12 O4 -","- C48 H34 Cu F12 O4 -","- C48 H34 Cu F12 O4 -","1","0.5","","Hori, Akiko; Nakajima, Kyosuke; Akimoto, Yuuki; Naganuma, Kohei; Yuge, Hidetaka","Guest-adjusted encapsulation and thermal studies of non-porous mononuclear Cu(ii) coordination complexes through electrostatic interactions induced by fluorine substitution","CrystEngComm","2014","16","37","8805","","10.1039/C4CE01243G","","","0.71073","MoKα","","0.0333","0.0286","","","0.0734","0.0763","","","","","","1.037","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217660","7.1345","0.0005","7.3565","0.0005","12.0946","0.0008","97.506","0.001","100.942","0.001","94.594","0.001","614.31","0.07","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H14 Cu F8 O4 -","- C30 H14 Cu F8 O4 -","- C30 H14 Cu F8 O4 -","1","0.5","","Hori, Akiko; Nakajima, Kyosuke; Akimoto, Yuuki; Naganuma, Kohei; Yuge, Hidetaka","Guest-adjusted encapsulation and thermal studies of non-porous mononuclear Cu(ii) coordination complexes through electrostatic interactions induced by fluorine substitution","CrystEngComm","2014","16","37","8805","","10.1039/C4CE01243G","","","0.71073","MoKα","","0.0257","0.0244","","","0.063","0.0637","","","","","","1.049","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217661","8.8091","0.0004","9.6702","0.0004","12.4941","0.0005","93.7","0.002","97.546","0.002","101.939","0.002","1027.65","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Iressa","Gefitinib","","- C22 H24 Cl F N4 O3 -","- C22 H24 Cl F N4 O3 -","- C44 H48 Cl2 F2 N8 O6 -","2","1","","Thorat, Shridhar H.; Patwadkar, Manjusha V.; Gonnade, Rajesh G.; Vaidhyanathan, R.","Capturing a novel metastable polymorph of the anticancer drug gefitinib","CrystEngComm","2014","16","37","8638","","10.1039/C4CE01446D","","","0.71073","MoKα","","0.0297","0.0277","","","0.0718","0.0738","","","","","","1.019","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217662","7.1645","0.0002","10.8025","0.0003","14.3429","0.0004","80.302","0.001","75.662","0.001","89.267","0.001","1059.63","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Iressa","Gefitinib","","- C22 H24 Cl F N4 O3 -","- C22 H24 Cl F N4 O3 -","- C44 H48 Cl2 F2 N8 O6 -","2","1","","Thorat, Shridhar H.; Patwadkar, Manjusha V.; Gonnade, Rajesh G.; Vaidhyanathan, R.","Capturing a novel metastable polymorph of the anticancer drug gefitinib","CrystEngComm","2014","16","37","8638","","10.1039/C4CE01446D","","","1.54178","CuKα","","0.0373","0.0328","","","0.0859","0.0885","","","","","","1.109","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217665","11.734","0.005","11.967","0.005","12.461","0.005","90","","114.528","0.007","90","","1591.9","1.1","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H28 Fe N13 O -","- C34 H18 Fe N13 O -","- C68 H36 Fe2 N26 O2 -","2","0.5","","Xu, Lei; Wang, Jintao; Xu, Yan; Zhang, Zaiyong; Lu, Ping; Fang, Min; Li, Shunli; Sun, Peipei; Liu, Hong-Ke","A new strategy to construct metal‒organic frameworks with ultrahigh chemical stability","CrystEngComm","2014","16","37","8656","","10.1039/C4CE01218F","","","0.71073","MoKα","","0.1353","0.0887","","","0.2326","0.2637","","","","","","1.052","","","","has coordinates,has disorder","180507","2020-10-21","18:00:00",""
"7217666","3.8884","0.0006","14.2024","0.0015","28.643","0.003","90","","90","","90","","1581.8","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H14 Cl N O -","- C23 H14 Cl N O -","- C92 H56 Cl4 N4 O4 -","4","1","","Safin, Damir A.; Bolte, Michael; Garcia, Yann","Solid-state photochromism and thermochromism of N-salicylidene pyrene derivatives","CrystEngComm","2014","16","37","8786","","10.1039/C4CE01325E","","","0.71073","MoKα","","0.0641","0.0488","","","0.1147","0.1211","","","","","","1.007","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217667","3.9311","0.0003","14.2544","0.0009","28.777","0.003","90","","90","","90","","1612.5","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H14 Br N O -","- C23 H14 Br N O -","- C92 H56 Br4 N4 O4 -","4","1","","Safin, Damir A.; Bolte, Michael; Garcia, Yann","Solid-state photochromism and thermochromism of N-salicylidene pyrene derivatives","CrystEngComm","2014","16","37","8786","","10.1039/C4CE01325E","","","0.71073","MoKα","","0.0801","0.0722","","","0.1333","0.1375","","","","","","1.117","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217668","7.874","0.0013","8.367","0.0014","13.195","0.002","91.615","0.014","103.438","0.013","90.08","0.014","845.1","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H13 Cl2 N O -","- C23 H13 Cl2 N O -","- C46 H26 Cl4 N2 O2 -","2","1","","Safin, Damir A.; Bolte, Michael; Garcia, Yann","Solid-state photochromism and thermochromism of N-salicylidene pyrene derivatives","CrystEngComm","2014","16","37","8786","","10.1039/C4CE01325E","","","0.71073","MoKα","","0.0613","0.0476","","","0.1187","0.1249","","","","","","1.048","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217669","24.1672","0.0015","4.0091","0.0002","17.5905","0.0012","90","","90","","90","","1704.32","0.18","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C23 H13 Br2 N O -","- C23 H13 Br2 N O -","- C92 H52 Br8 N4 O4 -","4","1","","Safin, Damir A.; Bolte, Michael; Garcia, Yann","Solid-state photochromism and thermochromism of N-salicylidene pyrene derivatives","CrystEngComm","2014","16","37","8786","","10.1039/C4CE01325E","","","0.71073","MoKα","","0.039","0.0348","","","0.0737","0.0752","","","","","","1.039","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217670","25.4","0.002","14.8069","0.0011","9.0424","0.0006","90","","100.146","0.006","90","","3347.6","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 N O2 -","- C24 H17 N O2 -","- C192 H136 N8 O16 -","8","2","","Safin, Damir A.; Bolte, Michael; Garcia, Yann","Solid-state photochromism and thermochromism of N-salicylidene pyrene derivatives","CrystEngComm","2014","16","37","8786","","10.1039/C4CE01325E","","","0.71073","MoKα","","0.1044","0.0736","","","0.1328","0.1438","","","","","","1.094","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217680","4.7556","0.0002","5.803","0.0004","39.1558","0.0019","90","","90.537","0.004","90","","1080.53","0.1","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 Ni O4 S4 -","- C20 H22 Ni O4 S4 -","- C40 H44 Ni2 O8 S8 -","2","0.5","","Gupta, Ajit N.; Kumar, Vinod; Singh, Vikram; Manar, Krishna K.; Drew, Michael G. B.; Singh, Nanhai","Intermolecular anagostic interactions in group 10 metal dithiocarbamates","CrystEngComm","2014","16","39","9299","","10.1039/C4CE01263A","","","0.71073","MoKα","","0.0791","0.0583","","","0.1021","0.1096","","","","","","1.092","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217681","6.264","0.0013","6.4556","0.0014","14.969","0.003","78.985","0.017","86.378","0.016","86.602","0.017","592.3","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H28 N2 Ni O4 S4 -","- C18 H28 N2 Ni O4 S4 -","- C18 H28 N2 Ni O4 S4 -","1","0.5","","Gupta, Ajit N.; Kumar, Vinod; Singh, Vikram; Manar, Krishna K.; Drew, Michael G. B.; Singh, Nanhai","Intermolecular anagostic interactions in group 10 metal dithiocarbamates","CrystEngComm","2014","16","39","9299","","10.1039/C4CE01263A","","","0.71073","MoKα","","0.1038","0.0564","","","0.1313","0.1591","","","","","","0.963","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217682","5.6942","0.0009","18.8463","0.0014","10.81","0.0007","90","","90.696","0.009","90","","1160","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 N2 Ni O4 S4 -","- C22 H20 N2 Ni O4 S4 -","- C44 H40 N4 Ni2 O8 S8 -","2","0.5","","Gupta, Ajit N.; Kumar, Vinod; Singh, Vikram; Manar, Krishna K.; Drew, Michael G. B.; Singh, Nanhai","Intermolecular anagostic interactions in group 10 metal dithiocarbamates","CrystEngComm","2014","16","39","9299","","10.1039/C4CE01263A","","","0.71073","MoKα","","0.1001","0.0588","","","0.0977","0.1114","","","","","","0.982","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217683","6.503","0.006","10.171","0.009","11.709","0.01","75.41","0.08","80.37","0.08","72.19","0.08","710.1","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H26 N4 Pd S4 -","- C28 H26 N4 Pd S4 -","- C28 H26 N4 Pd S4 -","1","0.5","","Gupta, Ajit N.; Kumar, Vinod; Singh, Vikram; Manar, Krishna K.; Drew, Michael G. B.; Singh, Nanhai","Intermolecular anagostic interactions in group 10 metal dithiocarbamates","CrystEngComm","2014","16","39","9299","","10.1039/C4CE01263A","","","0.71073","MoKα","","0.1376","0.0775","","","0.1631","0.2144","","","","","","0.93","","","","has coordinates,has disorder","180507","2020-10-21","18:00:00",""
"7217684","5.7453","0.0003","19.0518","0.001","11.076","0.0007","90","","91.441","0.004","90","","1211.98","0.12","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 N2 O4 Pt S4 -","- C22 H20 N2 O4 Pt S4 -","- C44 H40 N4 O8 Pt2 S8 -","2","0.5","","Gupta, Ajit N.; Kumar, Vinod; Singh, Vikram; Manar, Krishna K.; Drew, Michael G. B.; Singh, Nanhai","Intermolecular anagostic interactions in group 10 metal dithiocarbamates","CrystEngComm","2014","16","39","9299","","10.1039/C4CE01263A","","","0.71073","MoKα","","0.066","0.0378","","","0.059","0.0671","","","","","","0.927","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217685","18.8991","0.0014","15.5229","0.0011","9.0702","0.0007","90","","90","","90","","2660.9","0.3","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H22 Er2 N2 O16 -","- C24 H22 Er2 N2 O16 -","- C96 H88 Er8 N8 O64 -","4","1","","Fan, Liming; Fan, Weiliu; Song, Weikuo; Liu, Guangzeng; Zhang, Xiutang; Zhao, Xian","Syntheses, topologies, and luminescence of four Ln‒organic polymers constructed from aromatic tetracarboxylic acids","CrystEngComm","2014","16","39","9191","","10.1039/C4CE01139B","","","0.71073","MoKα","","0.0233","0.0228","","","0.0543","0.0546","","","","","","1.001","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217686","18.825","0.014","15.373","0.011","9.047","0.007","90","","90","","90","","2618","3","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H22 N2 O16 Yb2 -","- C24 H22 N2 O16 Yb2 -","- C96 H88 N8 O64 Yb8 -","4","1","","Fan, Liming; Fan, Weiliu; Song, Weikuo; Liu, Guangzeng; Zhang, Xiutang; Zhao, Xian","Syntheses, topologies, and luminescence of four Ln‒organic polymers constructed from aromatic tetracarboxylic acids","CrystEngComm","2014","16","39","9191","","10.1039/C4CE01139B","","","0.71073","MoKα","","0.0403","0.0376","","","0.0614","0.0621","","","","","","0.997","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217687","19.116","0.007","15.714","0.006","9.069","0.004","90","","90","","90","","2724.2","1.9","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H22 N2 O16 Sm2 -","- C24 H22 N2 O16 Sm2 -","- C96 H88 N8 O64 Sm8 -","4","1","","Fan, Liming; Fan, Weiliu; Song, Weikuo; Liu, Guangzeng; Zhang, Xiutang; Zhao, Xian","Syntheses, topologies, and luminescence of four Ln‒organic polymers constructed from aromatic tetracarboxylic acids","CrystEngComm","2014","16","39","9191","","10.1039/C4CE01139B","","","0.71073","MoKα","","0.0297","0.0282","","","0.067","0.0676","","","","","","0.998","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217688","6.4355","0.0012","13.462","0.002","13.753","0.002","61.532","0.002","82.433","0.003","81.244","0.002","1032.8","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H15 Gd O10 -","- C22 H15 Gd O10 -","- C44 H30 Gd2 O20 -","2","1","","Fan, Liming; Fan, Weiliu; Song, Weikuo; Liu, Guangzeng; Zhang, Xiutang; Zhao, Xian","Syntheses, topologies, and luminescence of four Ln‒organic polymers constructed from aromatic tetracarboxylic acids","CrystEngComm","2014","16","39","9191","","10.1039/C4CE01139B","","","0.71073","MoKα","","0.0217","0.0212","","","0.0608","0.0611","","","","","","1","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217689","11.8863","0.0044","15.3948","0.0059","10.5539","0.004","90","","95.0116","0.0023","90","","1923.8","1.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H24 F3 N3 O3 -","- C18 H24 F3 N3 O3 -","- C72 H96 F12 N12 O12 -","4","2","","Zehe, Christoph; Schmidt, Marko; Siegel, Renée; Kreger, Klaus; Daebel, Venita; Ganzleben, Sandra; Schmidt, Hans-Werner; Senker, Jürgen","Influence of fluorine side-group substitution on the crystal structure formation of benzene-1,3,5-trisamides","CrystEngComm","2014","16","39","9273","","10.1039/C4CE01077A","","","1.54056","CuKα1","","","","","","","","","","","","","","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217690","7.8644","0.0002","23.7196","0.0005","10.4242","0.0002","90","","96.213","0.003","90","","1933.11","0.07","176","2","176.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 N3 O5 -","- C20 H23 N3 O5 -","- C80 H92 N12 O20 -","4","1","","Salorinne, Kirsi; Lahtinen, Tanja; Marjomäki, Varpu; Häkkinen, Hannu","Polymorphic and solvate structures of ethyl ester and carboxylic acid derivatives of WIN 61893 analogue and their stability in solution","CrystEngComm","2014","16","38","9001","","10.1039/C4CE01152J","","","0.7107","MoKα","","0.0825","0.053","","","0.1184","0.1328","","","","","","1.053","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217691","18.6194","0.0005","8.3392","0.0002","12.7669","0.0003","90","","100.331","0.003","90","","1950.19","0.09","170","2","170.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 N3 O5 -","- C20 H23 N3 O5 -","- C80 H92 N12 O20 -","4","1","","Salorinne, Kirsi; Lahtinen, Tanja; Marjomäki, Varpu; Häkkinen, Hannu","Polymorphic and solvate structures of ethyl ester and carboxylic acid derivatives of WIN 61893 analogue and their stability in solution","CrystEngComm","2014","16","38","9001","","10.1039/C4CE01152J","","","0.7107","MoKα","","0.084","0.0596","","","0.1498","0.1674","","","","","","1.052","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217692","8.3029","0.0003","45.5165","0.0017","11.0152","0.0004","90","","103.692","0.004","90","","4044.6","0.3","170","2","170","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 N3 O6 -","- C20 H25 N3 O6 -","- C160 H200 N24 O48 -","8","2","","Salorinne, Kirsi; Lahtinen, Tanja; Marjomäki, Varpu; Häkkinen, Hannu","Polymorphic and solvate structures of ethyl ester and carboxylic acid derivatives of WIN 61893 analogue and their stability in solution","CrystEngComm","2014","16","38","9001","","10.1039/C4CE01152J","","","0.7107","MoKα","","0.0931","0.0593","","","0.1239","0.1401","","","","","","1.059","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7217693","13.7775","0.0003","7.21311","0.00013","21.4071","0.0003","90","","90.4904","0.0016","90","","2127.33","0.07","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 N3 O6 S -","- C20 H25 N3 O6 S -","- C80 H100 N12 O24 S4 -","4","1","","Salorinne, Kirsi; Lahtinen, Tanja; Marjomäki, Varpu; Häkkinen, Hannu","Polymorphic and solvate structures of ethyl ester and carboxylic acid derivatives of WIN 61893 analogue and their stability in solution","CrystEngComm","2014","16","38","9001","","10.1039/C4CE01152J","","","0.7107","MoKα","","0.0607","0.0446","","","0.1137","0.1245","","","","","","1.048","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217694","5.4543","0.0011","13.088","0.003","19.406","0.004","90","","93.39","0.03","90","","1382.9","0.5","303","2","303","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 N6 O6 -","- C30 H26 N6 O6 -","- C60 H52 N12 O12 -","2","0.5","","Fang, Xin; Yuan, Xiong; Song, Yan-Bo; Wang, Jun-Dong; Lin, Mei-Jin","Cooperative lone pair‒π and coordination interactions in naphthalene diimide coordination networks","CrystEngComm","2014","16","38","9090","","10.1039/C4CE01233J","","","0.71073","MoKα","","0.1097","0.0869","","","0.2811","0.3107","","","","","","1.066","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7217695","19.586","0.003","19.586","0.003","24.077","0.005","90","","90","","90","","9236","3","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C34 H30 N8 O12 Zn -","- C34 H30 N8 O12 Zn -","- C272 H240 N64 O96 Zn8 -","8","0.5","","Fang, Xin; Yuan, Xiong; Song, Yan-Bo; Wang, Jun-Dong; Lin, Mei-Jin","Cooperative lone pair‒π and coordination interactions in naphthalene diimide coordination networks","CrystEngComm","2014","16","38","9090","","10.1039/C4CE01233J","","","0.71073","MoKα","","0.1172","0.0787","","","0.2072","0.2292","","","","","","1.03","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7217696","12.47","0.003","12.614","0.003","14.991","0.003","91.74","0.03","102.37","0.03","116.9","0.03","2032","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H41 N9 O14 Zn -","- C36 H41 N9 O14 Zn -","- C72 H82 N18 O28 Zn2 -","2","1","","Fang, Xin; Yuan, Xiong; Song, Yan-Bo; Wang, Jun-Dong; Lin, Mei-Jin","Cooperative lone pair‒π and coordination interactions in naphthalene diimide coordination networks","CrystEngComm","2014","16","38","9090","","10.1039/C4CE01233J","","","0.71073","MoKα","","0.0942","0.0582","","","0.1462","0.1699","","","","","","1.044","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7217697","12.355","0.003","12.541","0.003","14.681","0.003","91.05","0.03","102.88","0.03","117.34","0.03","1950.6","1","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H41 Cu N9 O14 -","- C36 H41 Cu N9 O14 -","- C72 H82 Cu2 N18 O28 -","2","1","","Fang, Xin; Yuan, Xiong; Song, Yan-Bo; Wang, Jun-Dong; Lin, Mei-Jin","Cooperative lone pair‒π and coordination interactions in naphthalene diimide coordination networks","CrystEngComm","2014","16","38","9090","","10.1039/C4CE01233J","","","0.71073","MoKα","","0.0754","0.0704","","","0.1711","0.1755","","","","","","1.085","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217698","12.28","0.003","12.491","0.003","14.649","0.003","91.44","0.03","102.46","0.03","115.88","0.03","1955.7","1","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H32 Co N8 O13 -","- C32 H32 Co N8 O13 -","- C64 H64 Co2 N16 O26 -","2","1","","Fang, Xin; Yuan, Xiong; Song, Yan-Bo; Wang, Jun-Dong; Lin, Mei-Jin","Cooperative lone pair‒π and coordination interactions in naphthalene diimide coordination networks","CrystEngComm","2014","16","38","9090","","10.1039/C4CE01233J","","","0.71073","MoKα","","0.0784","0.0661","","","0.1577","0.1664","","","","","","1.1","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217699","19.379","0.003","19.379","0.003","23.744","0.005","90","","90","","90","","8917","3","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C34 H30 Cu N8 O12 -","- C34 H30 Cu N8 O12 -","- C272 H240 Cu8 N64 O96 -","8","0.5","","Fang, Xin; Yuan, Xiong; Song, Yan-Bo; Wang, Jun-Dong; Lin, Mei-Jin","Cooperative lone pair‒π and coordination interactions in naphthalene diimide coordination networks","CrystEngComm","2014","16","38","9090","","10.1039/C4CE01233J","","","0.71073","MoKα","","0.163","0.0913","","","0.2315","0.2719","","","","","","1.021","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217700","19.642","0.003","19.642","0.003","23.896","0.005","90","","90","","90","","9219","3","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C34 H30 Co N8 O12 -","- C34 H30 Co N8 O12 -","- C272 H240 Co8 N64 O96 -","8","0.5","","Fang, Xin; Yuan, Xiong; Song, Yan-Bo; Wang, Jun-Dong; Lin, Mei-Jin","Cooperative lone pair‒π and coordination interactions in naphthalene diimide coordination networks","CrystEngComm","2014","16","38","9090","","10.1039/C4CE01233J","","","0.71073","MoKα","","0.0733","0.0636","","","0.1776","0.1843","","","","","","1.017","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217722","12.7953","0.001","12.7953","0.001","12.7953","0.001","90","","90","","90","","2094.8","0.3","290.81","0.1","290.81","0.1","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- C24 O13 Zn4 -","- C24 O13 Zn4 -","- C24 O13 Zn4 -","1","0.0208333","","Tshering, Lodey; Hunter, Sally O.; Nikolich, Alexandra; Minato, Erica; Fitchett, Christopher M.; D'Alessandro, Deanna M.; Richardson, Christopher","Post-synthetic pore-space expansion in a di-tagged metal‒organic framework","CrystEngComm","2014","16","39","9158","","10.1039/C4CE01377H","","","1.54184","CuKα","","0.2189","0.1982","","","0.5018","0.5309","","","","","","2.242","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217723","25.7643","0.0003","25.7643","0.0003","25.7643","0.0003","90","","90","","90","","17102.3","0.3","290.81","0.1","290.81","0.1","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- C24 O13 Zn4 -","- C24 O13 Zn4 -","- C192 O104 Zn32 -","8","0.0416667","","Tshering, Lodey; Hunter, Sally O.; Nikolich, Alexandra; Minato, Erica; Fitchett, Christopher M.; D'Alessandro, Deanna M.; Richardson, Christopher","Post-synthetic pore-space expansion in a di-tagged metal‒organic framework","CrystEngComm","2014","16","39","9158","","10.1039/C4CE01377H","","","0.71073","MoKα","","0.0938","0.0616","","","0.1817","0.2249","","","","","","1.067","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217724","35.744","0.002","35.744","0.002","23.9081","0.0016","90","","90","","120","","26453","3","123","2","123","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C210 H162 Cl18 N18 O6 Zn6 -","- C186 H126 Cl12 N18 Zn6 -","- C558 H378 Cl36 N54 Zn18 -","3","0.166667","","Constable, Edwin C.; Housecroft, Catherine E.; Prescimone, Alessandro; Vujovic, Srboljub; Zampese, Jennifer A.","Environmental control in the assembly of metallomacrocycles and one-dimensional polymers with 4,2′:6′:4′′-terpyridine linkers and zinc(ii) nodes","CrystEngComm","2014","16","37","8691","","10.1039/C4CE00783B","","","1.54178","CuKα","","0.0526","0.0311","","","0.0626","0.0661","","","","","","0.799","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217725","23.6145","0.0015","23.6145","0.0015","16.4568","0.001","90","","90","","90","","9177","1","123","2","123","2","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C125 H84 Cl12 F20 N12 O5 Zn4 -","- C108 H56 Cl8 F20 N12 Zn4 -","- C216 H112 Cl16 F40 N24 Zn8 -","2","0.25","","Constable, Edwin C.; Housecroft, Catherine E.; Prescimone, Alessandro; Vujovic, Srboljub; Zampese, Jennifer A.","Environmental control in the assembly of metallomacrocycles and one-dimensional polymers with 4,2′:6′:4′′-terpyridine linkers and zinc(ii) nodes","CrystEngComm","2014","16","37","8691","","10.1039/C4CE00783B","","","1.54178","CuKα","","0.1907","0.0769","","","0.159","0.1884","","","","","","0.853","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217726","14.9652","0.001","16.3097","0.0012","24.4444","0.0018","90","","91.698","0.002","90","","5963.7","0.7","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C63 H43 Cl3 I4 N6 Zn2 -","- C63 H43 Cl3 I4 N6 Zn2 -","- C252 H172 Cl12 I16 N24 Zn8 -","4","1","","Constable, Edwin C.; Housecroft, Catherine E.; Prescimone, Alessandro; Vujovic, Srboljub; Zampese, Jennifer A.","Environmental control in the assembly of metallomacrocycles and one-dimensional polymers with 4,2′:6′:4′′-terpyridine linkers and zinc(ii) nodes","CrystEngComm","2014","16","37","8691","","10.1039/C4CE00783B","","","0.71073","MoKα","","0.0728","0.0493","","","0.1034","0.1195","","","","","","1.138","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7217727","70.6015","0.0018","70.6015","0.0018","23.992","0.0006","90","","90","","120","","103568","5","123","2","123","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C206 H146 Cl18 N18 O2 Zn6 -","- C186 H126 Cl12 N18 Zn6 -","- C2232 H1512 Cl144 N216 Zn72 -","12","0.666667","","Constable, Edwin C.; Housecroft, Catherine E.; Prescimone, Alessandro; Vujovic, Srboljub; Zampese, Jennifer A.","Environmental control in the assembly of metallomacrocycles and one-dimensional polymers with 4,2′:6′:4′′-terpyridine linkers and zinc(ii) nodes","CrystEngComm","2014","16","37","8691","","10.1039/C4CE00783B","","","1.54178","CuKα","","0.179","0.1199","","","0.2869","0.3228","","","","","","0.971","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217728","14.3701","0.0012","22.089","0.002","26.512","0.003","95.414","0.006","95.48","0.006","92.935","0.005","8324.2","1.4","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C170 H125 Cl20 N12 O4 Zn4 -","- C124 H84 Cl8 N12 Zn4 -","- C248 H168 Cl16 N24 Zn8 -","2","1","","Constable, Edwin C.; Housecroft, Catherine E.; Prescimone, Alessandro; Vujovic, Srboljub; Zampese, Jennifer A.","Environmental control in the assembly of metallomacrocycles and one-dimensional polymers with 4,2′:6′:4′′-terpyridine linkers and zinc(ii) nodes","CrystEngComm","2014","16","37","8691","","10.1039/C4CE00783B","","","1.54178","CuKα","","0.0941","0.0714","","","0.1933","0.2079","","","","","","1.034","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217729","14.3665","0.0006","20.7814","0.0008","26.2162","0.0013","99.654","0.003","97.51","0.003","103.905","0.003","7369.5","0.6","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C158 H93 Cl22 F20 N12 O2 Zn4 -","- C108 H56 Cl8 F20 N12 Zn4 -","- C216 H112 Cl16 F40 N24 Zn8 -","2","1","","Constable, Edwin C.; Housecroft, Catherine E.; Prescimone, Alessandro; Vujovic, Srboljub; Zampese, Jennifer A.","Environmental control in the assembly of metallomacrocycles and one-dimensional polymers with 4,2′:6′:4′′-terpyridine linkers and zinc(ii) nodes","CrystEngComm","2014","16","37","8691","","10.1039/C4CE00783B","","","1.54178","CuKα","","0.1002","0.0695","","","0.1763","0.1906","","","","","","0.932","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217763","26.846","0.005","27.178","0.005","9.766","0.002","90","","90","","90","","7125","2","100","2","100","2","","","","","","","","5","P m m n","-P 2ab 2a","59","","","","- C63 H67 N6 O20 Zn3 -","- C54 H42 N3 O17 Zn3 -","- C216 H168 N12 O68 Zn12 -","4","","","Konstas, Kristina; Taupitz, Kim F.; Turner, David R.; Kennedy, Danielle F.; Hill, Matthew R.","A new family of zinc metal‒organic framework polymorphs containing anthracene tetracarboxylates","CrystEngComm","2014","16","38","8937","","10.1039/C4CE00385C","","","0.71073","Synchrotron","","0.2225","0.1213","","","0.3507","0.3981","","","","","","1.204","","","","has coordinates,has disorder","180508","2020-10-21","18:00:00",""
"7217764","18.5127","0.0003","18.5127","0.0003","78.4908","0.0018","90","","90","","120","","23296.4","0.8","123","2","123","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C52 H68 N7.33 O16.67 Zn2 -","- C34.0004 H14 N1.33327 O10.6666 Zn2 -","- C612.007 H252 N23.9988 O191.999 Zn36 -","18","0.5","","Konstas, Kristina; Taupitz, Kim F.; Turner, David R.; Kennedy, Danielle F.; Hill, Matthew R.","A new family of zinc metal‒organic framework polymorphs containing anthracene tetracarboxylates","CrystEngComm","2014","16","38","8937","","10.1039/C4CE00385C","","","1.5418","CuKα","","0.1045","0.0922","","","0.216","0.2281","","","","","","1.028","","","","has coordinates,has disorder","180508","2020-10-21","18:00:00",""
"7217765","27.063","0.009","27.063","0.009","16.107","0.003","90","","90","","120","","10216","5","100","2","100","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C34.5 H28.5 N1.5 O11.5 Zn2 -","- C30 H14 O10 Zn2 -","- C270 H126 O90 Zn18 -","9","0.25","","Konstas, Kristina; Taupitz, Kim F.; Turner, David R.; Kennedy, Danielle F.; Hill, Matthew R.","A new family of zinc metal‒organic framework polymorphs containing anthracene tetracarboxylates","CrystEngComm","2014","16","38","8937","","10.1039/C4CE00385C","","","0.71073","Synchrotron","","0.0746","0.069","","","0.192","0.1954","","","","","","1.177","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7217770","13.852","0.004","13.852","0.004","6.4216","0.0017","90","","90","","90","","1232.2","0.6","173","2","173","2","","","","","","","","4","P 4/m c c","-P 4 2c","124","lithium phthalocyanine","lithium phthalocyanine","","- C32 H16 Li N8 -","- C32 H16 Li N8 -","- C64 H32 Li2 N16 -","2","0.125","","Miyoshi, Yasuhito; Yoshikawa, Hirofumi; Awaga, Kunio","Crystal-to-crystal transformation in solid-state electrochemical doping of Cl−ions to the nanoporous neutral radical lithium phthalocyanine: revelation of electron‒electron correlations in the 1D half-filled system","CrystEngComm","2014","16","39","9266","","10.1039/C4CE01222D","","","0.7107","MoKα","","0.0483","0.0426","","","0.1054","0.1089","","","","","","1.094","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217771","13.843","0.0009","13.843","0.0009","6.4156","0.0006","90","","90","","90","","1229.41","0.16","173","2","173","2","","","","","","","","5","P 4/m c c","-P 4 2c","124","lithium phthalocyanine chloride","lithium phthalocyanine chloride","","- C32 H16 Cl0.11 Li N8 -","- C32 H16 Cl0.11 Li N8 -","- C64 H32 Cl0.22 Li2 N16 -","2","0.125","","Miyoshi, Yasuhito; Yoshikawa, Hirofumi; Awaga, Kunio","Crystal-to-crystal transformation in solid-state electrochemical doping of Cl−ions to the nanoporous neutral radical lithium phthalocyanine: revelation of electron‒electron correlations in the 1D half-filled system","CrystEngComm","2014","16","39","9266","","10.1039/C4CE01222D","","","0.7107","MoKα","","0.07","0.0552","","","0.1138","0.1206","","","","","","1.12","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217772","13.829","0.005","13.829","0.005","6.406","0.002","90","","90","","90","","1225.1","0.7","173","2","173","2","","","","","","","","5","P 4/m c c","-P 4 2c","124","lithium phthalocyanine chloride","lithium phthalocyanine chloride","","- C32 H16 Cl0.2 Li N8 -","- C32 H16 Cl0.2 Li N8 -","- C64 H32 Cl0.4 Li2 N16 -","2","0.125","","Miyoshi, Yasuhito; Yoshikawa, Hirofumi; Awaga, Kunio","Crystal-to-crystal transformation in solid-state electrochemical doping of Cl−ions to the nanoporous neutral radical lithium phthalocyanine: revelation of electron‒electron correlations in the 1D half-filled system","CrystEngComm","2014","16","39","9266","","10.1039/C4CE01222D","","","0.7107","MoKα","","0.0624","0.0502","","","0.1129","0.1195","","","","","","1.082","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7217773","13.864","0.006","13.864","0.006","6.414","0.003","90","","90","","90","","1232.8","0.9","173","2","173","2","","","","","","","","5","P 4/m c c","-P 4 2c","124","lithium phthalocyanine chloride","lithium phthalocyanine chloride","","- C32 H16 Cl0.21 Li N8 -","- C32 H16 Cl0.21 Li N8 -","- C64 H32 Cl0.42 Li2 N16 -","2","0.125","","Miyoshi, Yasuhito; Yoshikawa, Hirofumi; Awaga, Kunio","Crystal-to-crystal transformation in solid-state electrochemical doping of Cl−ions to the nanoporous neutral radical lithium phthalocyanine: revelation of electron‒electron correlations in the 1D half-filled system","CrystEngComm","2014","16","39","9266","","10.1039/C4CE01222D","","","0.7107","MoKα","","0.0866","0.074","","","0.1988","0.2126","","","","","","1.138","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217774","13.841","0.004","13.841","0.004","6.4027","0.0018","90","","90","","90","","1226.6","0.6","173","2","173","2","","","","","","","","5","P 4/m c c","-P 4 2c","124","lithium phthalocyanine chloride","lithium phthalocyanine chloride","","- C32 H16 Cl0.24 Li N8 -","- C32 H16 Cl0.24 Li N8 -","- C64 H32 Cl0.48 Li2 N16 -","2","0.125","","Miyoshi, Yasuhito; Yoshikawa, Hirofumi; Awaga, Kunio","Crystal-to-crystal transformation in solid-state electrochemical doping of Cl−ions to the nanoporous neutral radical lithium phthalocyanine: revelation of electron‒electron correlations in the 1D half-filled system","CrystEngComm","2014","16","39","9266","","10.1039/C4CE01222D","","","0.7107","MoKα","","0.0567","0.0471","","","0.1081","0.114","","","","","","1.106","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217775","13.843","0.004","13.843","0.004","6.394","0.002","90","","90","","90","","1225.3","0.6","173","2","173","2","","","","","","","","5","P 4/m c c","-P 4 2c","124","lithium phthalocyanine chloride","lithium phthalocyanine chloride","","- C32 H16 Cl0.38 Li N8 -","- C32 H16 Cl0.38 Li N8 -","- C64 H32 Cl0.76 Li2 N16 -","2","0.125","","Miyoshi, Yasuhito; Yoshikawa, Hirofumi; Awaga, Kunio","Crystal-to-crystal transformation in solid-state electrochemical doping of Cl−ions to the nanoporous neutral radical lithium phthalocyanine: revelation of electron‒electron correlations in the 1D half-filled system","CrystEngComm","2014","16","39","9266","","10.1039/C4CE01222D","","","0.7107","MoKα","","0.0638","0.0553","","","0.1542","0.1611","","","","","","1.138","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217776","13.8605","0.0007","13.8605","0.0007","6.3917","0.0005","90","","90","","90","","1227.93","0.13","173","2","173","2","","","","","","","","5","P 4/m c c","-P 4 2c","124","lithium phthalocyanine chloride","lithium phthalocyanine chloride","","- C32 H16 Cl0.46 Li N8 -","- C32 H16 Cl0.46 Li N8 -","- C64 H32 Cl0.92 Li2 N16 -","2","0.125","","Miyoshi, Yasuhito; Yoshikawa, Hirofumi; Awaga, Kunio","Crystal-to-crystal transformation in solid-state electrochemical doping of Cl−ions to the nanoporous neutral radical lithium phthalocyanine: revelation of electron‒electron correlations in the 1D half-filled system","CrystEngComm","2014","16","39","9266","","10.1039/C4CE01222D","","","0.7107","MoKα","","0.0588","0.0505","","","0.1419","0.1477","","","","","","1.124","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217777","5.6421","0.0002","28.9519","0.0013","7.8627","0.0003","90","","95.521","0.002","90","","1278.41","0.09","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","calciumMOF","","","- C14 H10 Ca O6 -","- C14 H10 Ca O6 -","- C56 H40 Ca4 O24 -","4","1","","Rao, Purna Chandra; K. S, Asha; Mandal, Sukhendu","Synthesis, structure and band gap energy of a series of thermostable alkaline earth metal based metal‒organic frameworks","CrystEngComm","2014","16","39","9320","","10.1039/C4CE01505C","","","0.71073","MoKα","","0.0384","0.0313","","","0.089","0.1035","","","","","","1.138","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217778","29.3416","0.0018","6.3038","0.0004","7.0814","0.0004","90","","90","","90","","1309.8","0.14","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","StrontiumMOF","","","- C14 H10 O6 Sr -","- C14 H10 O6 Sr -","- C56 H40 O24 Sr4 -","4","1","","Rao, Purna Chandra; K. S, Asha; Mandal, Sukhendu","Synthesis, structure and band gap energy of a series of thermostable alkaline earth metal based metal‒organic frameworks","CrystEngComm","2014","16","39","9320","","10.1039/C4CE01505C","","","0.71073","MoKα","","0.0422","0.0297","","","0.0809","0.111","","","","","","1.146","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217779","11.2447","0.0002","8.0932","0.0001","30.0999","0.0005","90","","90","","90","","2739.26","0.07","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","BariumMOF","","","- C28 H16 Ba2 O13 -","- C28 H16 Ba2 O13 -","- C112 H64 Ba8 O52 -","4","1","","Rao, Purna Chandra; K. S, Asha; Mandal, Sukhendu","Synthesis, structure and band gap energy of a series of thermostable alkaline earth metal based metal‒organic frameworks","CrystEngComm","2014","16","39","9320","","10.1039/C4CE01505C","","","0.71073","MoKα","","0.0219","0.0174","","","0.0555","0.0811","","","","","","1.37","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217780","14.0847","0.0004","5.9953","0.0002","19.3347","0.0006","90","","93.729","0.002","90","","1629.2","0.09","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 O7.5 S Zn1.5 -","- C15 H12 O7.5 S Zn1.5 -","- C60 H48 O30 S4 Zn6 -","4","1","","Wu, Cheng-You; Raja, Duraisamy Senthil; Yang, Chun-Chuen; Yeh, Chun-Ting; Chen, Yu-Ru; Li, Chen-Yu; Ko, Bao-Tsan; Lin, Chia-Her","Evaluation of structural transformation in 2D metal‒organic frameworks based on a 4,4′-sulfonyldibenzoate linker: microwave-assisted solvothermal synthesis, characterization and applications","CrystEngComm","2014","16","39","9308","","10.1039/C4CE01201A","","","0.71073","MoKα","","0.0508","0.0459","","","0.1146","0.1167","","","","","","1.147","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7217781","14.1168","0.0002","6.0531","0.0001","19.3678","0.0003","90","","93.627","0.001","90","","1651.67","0.04","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H18 O14 S2 Zn3 -","- C28 H18 O14 S2 Zn3 -","- C56 H36 O28 S4 Zn6 -","2","0.5","","Wu, Cheng-You; Raja, Duraisamy Senthil; Yang, Chun-Chuen; Yeh, Chun-Ting; Chen, Yu-Ru; Li, Chen-Yu; Ko, Bao-Tsan; Lin, Chia-Her","Evaluation of structural transformation in 2D metal‒organic frameworks based on a 4,4′-sulfonyldibenzoate linker: microwave-assisted solvothermal synthesis, characterization and applications","CrystEngComm","2014","16","39","9308","","10.1039/C4CE01201A","","","0.71073","MoKα","","0.047","0.0301","","","0.0669","0.0731","","","","","","1.054","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217782","28.1637","0.0009","6.4411","0.0002","24.8679","0.0008","90","","115.445","0.002","90","","4073.6","0.2","295","2","295","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C60 H74 Mg6 O43 S4 -","- C60 H74 Mg6 O43 S4 -","- C120 H148 Mg12 O86 S8 -","2","0.5","","Wu, Cheng-You; Raja, Duraisamy Senthil; Yang, Chun-Chuen; Yeh, Chun-Ting; Chen, Yu-Ru; Li, Chen-Yu; Ko, Bao-Tsan; Lin, Chia-Her","Evaluation of structural transformation in 2D metal‒organic frameworks based on a 4,4′-sulfonyldibenzoate linker: microwave-assisted solvothermal synthesis, characterization and applications","CrystEngComm","2014","16","39","9308","","10.1039/C4CE01201A","","","0.71073","MoKα","","0.1118","0.0541","","","0.1468","0.1672","","","","","","1.037","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217783","10.161","0.0005","7.3197","0.0003","22.3295","0.001","90","","93.699","0.001","90","","1657.31","0.13","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 Mn O7 S -","- C16 H13 Mn O7 S -","- C64 H52 Mn4 O28 S4 -","4","1","","Wu, Cheng-You; Raja, Duraisamy Senthil; Yang, Chun-Chuen; Yeh, Chun-Ting; Chen, Yu-Ru; Li, Chen-Yu; Ko, Bao-Tsan; Lin, Chia-Her","Evaluation of structural transformation in 2D metal‒organic frameworks based on a 4,4′-sulfonyldibenzoate linker: microwave-assisted solvothermal synthesis, characterization and applications","CrystEngComm","2014","16","39","9308","","10.1039/C4CE01201A","","","0.71073","MoKα","","0.063","0.0572","","","0.1548","0.1573","","","","","","1.165","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217784","5.998","0.0002","11.8959","0.0004","13.0287","0.0007","112.118","0.003","102.502","0.003","99.816","0.002","807.5","0.06","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H10 Mn O7 S -","- C14 H10 Mn O7 S -","- C28 H20 Mn2 O14 S2 -","2","1","","Wu, Cheng-You; Raja, Duraisamy Senthil; Yang, Chun-Chuen; Yeh, Chun-Ting; Chen, Yu-Ru; Li, Chen-Yu; Ko, Bao-Tsan; Lin, Chia-Her","Evaluation of structural transformation in 2D metal‒organic frameworks based on a 4,4′-sulfonyldibenzoate linker: microwave-assisted solvothermal synthesis, characterization and applications","CrystEngComm","2014","16","39","9308","","10.1039/C4CE01201A","","","0.71073","MoKα","","0.0601","0.0492","","","0.1241","0.1282","","","","","","1.082","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217785","5.951","0.0019","15.899","0.005","21.4","0.016","90","","90","","90","","2024.8","1.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Ezetimibe","Ezetimibe","","- C24 H21 F2 N O3 -","- C24 H21 F2 N O3 -","- C96 H84 F8 N4 O12 -","4","1","","Shimpi, Manishkumar R.; Childs, Scott L.; Boström, Dan; Velaga, Sitaram P.","New cocrystals of ezetimibe withl-proline and imidazole","CrystEngComm","2014","16","38","8984","","10.1039/C4CE01127A","","","0.71073","MoKα","","0.1171","0.0561","","","0.1549","0.2013","","","","","","1.061","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217786","5.832","0.0002","15.752","0.0005","25.673","0.0013","90","","90","","90","","2358.47","0.16","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Ezetimibe-Imidazole","","","- C27 H25 F2 N3 O3 -","- C27 H25 F2 N3 O3 -","- C108 H100 F8 N12 O12 -","4","1","","Shimpi, Manishkumar R.; Childs, Scott L.; Boström, Dan; Velaga, Sitaram P.","New cocrystals of ezetimibe withl-proline and imidazole","CrystEngComm","2014","16","38","8984","","10.1039/C4CE01127A","","","0.71073","MoKα","","0.095","0.06","","","0.1678","0.1994","","","","","","1.046","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217787","6.14","0.0002","17.077","0.0007","21.35","0.0012","90","","90","","90","","2238.61","0.17","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Ezetimibe-Formamide","Ezetimibe-Formamide","","- C25 H24 F2 N2 O4 -","- C25 H24 F2 N2 O4 -","- C100 H96 F8 N8 O16 -","4","1","","Shimpi, Manishkumar R.; Childs, Scott L.; Boström, Dan; Velaga, Sitaram P.","New cocrystals of ezetimibe withl-proline and imidazole","CrystEngComm","2014","16","38","8984","","10.1039/C4CE01127A","","","0.71073","MoKα","","0.0986","0.0551","","","0.1341","0.1599","","","","","","1.148","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217797","8.8785","0.0007","17.4501","0.0014","13.1922","0.0011","90","","101.292","0.002","90","","2004.3","0.3","293","2","293","2","","","","","","","","8","P 1 2/n 1","-P 2yac","13","","","","- C16 H54 Cl F3 Ge7 N12 Ni2 O15 -","- C16 H54 Cl F3 Ge7 N12 Ni2 O15 -","- C32 H108 Cl2 F6 Ge14 N24 Ni4 O30 -","2","0.5","","Ren, Xiaoyan; Pan, Qinhe; Liu, Jiancong; Li, Yi; Wang, Fuxiang; Li, Jiyang; Xu, Yan; Li, Li","A family of germanates constructed from Ge7clusters co-templated by metal complexes and organic/inorganic species","CrystEngComm","2014","16","40","9545","","10.1039/C4CE00671B","","","0.71073","MoKα","","0.0806","0.041","","","0.0687","0.0894","","","","","","1.032","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217798","8.829","0.003","16.632","0.005","20.933","0.006","90","","96.992","0.006","90","","3051","1.6","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C11 H38 F2 Ge7 N7 Ni O15.5 -","- C11 H33 F2 Ge7 N7 Ni O15.5 -","- C44 H132 F8 Ge28 N28 Ni4 O62 -","4","1","","Ren, Xiaoyan; Pan, Qinhe; Liu, Jiancong; Li, Yi; Wang, Fuxiang; Li, Jiyang; Xu, Yan; Li, Li","A family of germanates constructed from Ge7clusters co-templated by metal complexes and organic/inorganic species","CrystEngComm","2014","16","40","9545","","10.1039/C4CE00671B","","","0.71073","MoKα","","0.0947","0.0474","","","0.1007","0.1142","","","","","","0.9","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7217799","8.8029","0.0018","16.671","0.003","21.293","0.004","90","","101.21","0.03","90","","3065.2","1.1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C11 H36 F2 Ge7 N7 Ni O16 -","- C11 H32 F2 Ge7 N7 Ni O16 -","- C44 H128 F8 Ge28 N28 Ni4 O64 -","4","1","","Ren, Xiaoyan; Pan, Qinhe; Liu, Jiancong; Li, Yi; Wang, Fuxiang; Li, Jiyang; Xu, Yan; Li, Li","A family of germanates constructed from Ge7clusters co-templated by metal complexes and organic/inorganic species","CrystEngComm","2014","16","40","9545","","10.1039/C4CE00671B","","","0.71073","MoKα","","0.0955","0.0688","","","0.1765","0.1974","","","","","","1.173","","","","has coordinates,has disorder","180508","2020-10-21","18:00:00",""
"7217800","8.8089","0.0018","22.436","0.005","31.193","0.006","90","","90","","90","","6165","2","293","2","293","2","","","","","","","","7","P b c m","-P 2c 2b","57","","","","- C22 H72 F6 Ge14 N14 Ni2 O31 -","- C18 H56 F6 Ge14 N12 Ni2 O29 -","- C72 H224 F24 Ge56 N48 Ni8 O116 -","4","0.5","","Ren, Xiaoyan; Pan, Qinhe; Liu, Jiancong; Li, Yi; Wang, Fuxiang; Li, Jiyang; Xu, Yan; Li, Li","A family of germanates constructed from Ge7clusters co-templated by metal complexes and organic/inorganic species","CrystEngComm","2014","16","40","9545","","10.1039/C4CE00671B","","","0.71073","MoKα","","0.0355","0.0296","","","0.0774","0.0796","","","","","","1.064","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217803","8.9979","0.0009","14.5904","0.0014","13.4092","0.0013","90","","113.863","0.006","90","","1609.9","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 Cd N4 O4 -","- C13 H18 Cd N4 O4 -","- C52 H72 Cd4 N16 O16 -","4","1","","Xue, Chen; Xu, Heng; Huang, Rong-Yi; Ren, Xiao-Ming","Mutual transformation between crystalline phases and dielectric properties of coordination polymers with the formula [Cd(N-methylimidazole)2(H2O)x(glutarate)]·nH2O (x = 0 or 1; n = or 4)","CrystEngComm","2014","16","42","9857","","10.1039/C4CE00997E","","","0.71073","MoKα","","0.0539","0.0466","","","0.1319","0.1379","","","","","","1.049","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217804","16.9674","0.0017","14.2074","0.0014","8.7538","0.0008","90","","90","","90","","2110.2","0.4","296","2","296","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C13 H28 Cd N4 O9 -","- C13 H28 Cd N4 O9 -","- C52 H112 Cd4 N16 O36 -","4","0.5","","Xue, Chen; Xu, Heng; Huang, Rong-Yi; Ren, Xiao-Ming","Mutual transformation between crystalline phases and dielectric properties of coordination polymers with the formula [Cd(N-methylimidazole)2(H2O)x(glutarate)]·nH2O (x = 0 or 1; n = or 4)","CrystEngComm","2014","16","42","9857","","10.1039/C4CE00997E","","","0.71073","MoKα","","0.0428","0.0268","","","0.0617","0.068","","","","","","1.041","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217809","21.2969","0.0015","26.3582","0.0019","8.7744","0.0006","90","","90","","90","","4925.5","0.6","296","2","296","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C20 H21 Br Cd N4 O4 -","- C20 H21 Br Cd N4 O4 -","- C160 H168 Br8 Cd8 N32 O32 -","8","1","","Hou, Yuan-Feng; Liu, Bo; Yue, Ke-Fen; Zhou, Chun-Sheng; Wang, Yi-Meng; Yan, Ni; Wang, Yao-Yu","Five solvent-induced cadmium coordination polymers (CPs) based on the same mixed ligands","CrystEngComm","2014","16","40","9560","","10.1039/C4CE01359J","","","0.71073","MoKα","","0.0708","0.0438","","","0.1058","0.1146","","","","","","1.009","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217810","9.449","0.003","10.386","0.004","17.553","0.006","76.519","0.008","89.167","0.007","79.774","0.008","1647.9","1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H27 Br2 Cd2 N4 O9 -","- C29 H27 Br2 Cd2 N4 O9 -","- C58 H54 Br4 Cd4 N8 O18 -","2","1","","Hou, Yuan-Feng; Liu, Bo; Yue, Ke-Fen; Zhou, Chun-Sheng; Wang, Yi-Meng; Yan, Ni; Wang, Yao-Yu","Five solvent-induced cadmium coordination polymers (CPs) based on the same mixed ligands","CrystEngComm","2014","16","40","9560","","10.1039/C4CE01359J","","","0.71073","MoKα","","0.1435","0.0728","","","0.1011","0.1255","","","","","","1","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217811","8.7933","0.0007","17.7457","0.0016","14.8568","0.0012","90","","90","","90","","2318.3","0.3","296","2","296","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C20 H21 Br Cd N4 O4 -","- C20 H21 Br Cd N4 O4 -","- C80 H84 Br4 Cd4 N16 O16 -","4","0.5","","Hou, Yuan-Feng; Liu, Bo; Yue, Ke-Fen; Zhou, Chun-Sheng; Wang, Yi-Meng; Yan, Ni; Wang, Yao-Yu","Five solvent-induced cadmium coordination polymers (CPs) based on the same mixed ligands","CrystEngComm","2014","16","40","9560","","10.1039/C4CE01359J","","","0.71073","MoKα","","0.0498","0.029","","","0.063","0.0706","","","","","","1.005","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217812","17.051","0.002","11.4036","0.0014","19.722","0.002","90","","109.91","0.002","90","","3605.6","0.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 Br Cd N2 O7 -","- C14 H18 Br Cd N2 O7 -","- C112 H144 Br8 Cd8 N16 O56 -","8","1","","Hou, Yuan-Feng; Liu, Bo; Yue, Ke-Fen; Zhou, Chun-Sheng; Wang, Yi-Meng; Yan, Ni; Wang, Yao-Yu","Five solvent-induced cadmium coordination polymers (CPs) based on the same mixed ligands","CrystEngComm","2014","16","40","9560","","10.1039/C4CE01359J","","","0.71073","MoKα","","0.0964","0.0613","","","0.1102","0.1259","","","","","","1.02","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217813","8.3536","0.0009","10.0782","0.001","11.2967","0.0012","74.969","0.002","74.612","0.002","68.425","0.001","838.73","0.15","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H14 Br Cd N2 O5 -","- C14 H14 Br Cd N2 O5 -","- C28 H28 Br2 Cd2 N4 O10 -","2","1","","Hou, Yuan-Feng; Liu, Bo; Yue, Ke-Fen; Zhou, Chun-Sheng; Wang, Yi-Meng; Yan, Ni; Wang, Yao-Yu","Five solvent-induced cadmium coordination polymers (CPs) based on the same mixed ligands","CrystEngComm","2014","16","40","9560","","10.1039/C4CE01359J","","","0.71073","MoKα","","0.0325","0.0293","","","0.1029","0.1104","","","","","","0.878","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217816","25.6565","0.0006","12.4636","0.0003","21.2198","0.0006","90","","105.91","0.002","90","","6525.6","0.3","277","2","277","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C78 H54 Cd2 N8 O15 -","- C78 H48 Cd2 N8 O12 -","- C312 H192 Cd8 N32 O48 -","4","0.5","","Zhao, Jie; Xie, Li-Qiong; Ma, Ying-Ming; Zhou, Ai-Ju; Dong, Wen; Wang, Jing; Chen, Yan-Cong; Tong, Ming-Liang","Structures and properties of coordination polymers involving asymmetric biphenyl-3,2′,5′-tricarboxylate","CrystEngComm","2014","16","43","10006","","10.1039/C4CE01225A","","","0.71073","MoKα","","0.0785","0.044","","","0.0867","0.0964","","","","","","0.985","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217817","7.4683","0.0001","9.9602","0.0002","15.8627","0.0003","81.11","0.001","88.078","0.001","69.099","0.001","1088.78","0.03","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H40 Cu2 N4 O16 -","- C50 H40 Cu2 N4 O16 -","- C50 H40 Cu2 N4 O16 -","1","0.5","","Zhao, Jie; Xie, Li-Qiong; Ma, Ying-Ming; Zhou, Ai-Ju; Dong, Wen; Wang, Jing; Chen, Yan-Cong; Tong, Ming-Liang","Structures and properties of coordination polymers involving asymmetric biphenyl-3,2′,5′-tricarboxylate","CrystEngComm","2014","16","43","10006","","10.1039/C4CE01225A","","","0.71073","MoKα","","0.0395","0.0319","","","0.0835","0.0876","","","","","","1.034","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217818","9.5251","0.0006","9.8837","0.0006","16.3942","0.0011","72.834","0.004","87.431","0.004","71.093","0.004","1392.88","0.16","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H26 N3 Ni O9 -","- C30 H26 N3 Ni O9 -","- C60 H52 N6 Ni2 O18 -","2","1","","Zhao, Jie; Xie, Li-Qiong; Ma, Ying-Ming; Zhou, Ai-Ju; Dong, Wen; Wang, Jing; Chen, Yan-Cong; Tong, Ming-Liang","Structures and properties of coordination polymers involving asymmetric biphenyl-3,2′,5′-tricarboxylate","CrystEngComm","2014","16","43","10006","","10.1039/C4CE01225A","","","0.71073","MoKα","","0.0566","0.0388","","","0.0936","0.1062","","","","","","1.062","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217819","9.3553","0.0002","24.7637","0.0004","11.6174","0.0002","90","","113.411","0.001","90","","2469.86","0.08","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H42 Mn3 N6 O14 -","- C60 H42 Mn3 N6 O14 -","- C120 H84 Mn6 N12 O28 -","2","0.5","","Zhao, Jie; Xie, Li-Qiong; Ma, Ying-Ming; Zhou, Ai-Ju; Dong, Wen; Wang, Jing; Chen, Yan-Cong; Tong, Ming-Liang","Structures and properties of coordination polymers involving asymmetric biphenyl-3,2′,5′-tricarboxylate","CrystEngComm","2014","16","43","10006","","10.1039/C4CE01225A","","","0.71073","MoKα","","0.0513","0.0344","","","0.0814","0.0881","","","","","","1.047","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217820","7.038","0.004","15.257","0.008","17.946","0.01","90","","90","","90","","1927","1.8","140","2","140","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C5 H6 Br3 Cd N -","- C5 H6 Br3 Cd N -","- C40 H48 Br24 Cd8 N8 -","8","1","","Jin, Jing; Jin, Lei; Su, En-Ben","Temperature-induced isosymmetric reversible structural phase transition in catena-[pyridinium tris(μ2-bromo)-cadmium(ii)]","CrystEngComm","2014","16","39","9284","","10.1039/C4CE00799A","","","0.71073","MoKα","","0.0932","0.0762","","","0.1745","0.1847","","","","","","0.976","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7217821","7.6903","0.0015","18.058","0.004","7.1118","0.0014","90","","90","","90","","987.6","0.4","293","2","293","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C5 H6 Br3 Cd N -","- C5 H6 Br3 Cd N -","- C20 H24 Br12 Cd4 N4 -","4","0.25","","Jin, Jing; Jin, Lei; Su, En-Ben","Temperature-induced isosymmetric reversible structural phase transition in catena-[pyridinium tris(μ2-bromo)-cadmium(ii)]","CrystEngComm","2014","16","39","9284","","10.1039/C4CE00799A","","","0.71073","MoKα","","0.0358","0.0283","","","0.061","0.063","","","","","","1.164","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7217822","7.864","0.004","8.054","0.004","9.893","0.005","70.04","0.05","73.31","0.05","83.69","0.05","564.1","0.5","294","2","294","2","","","","","","","","5","P 1","P 1","1","","","","- C26 H26 N2 O3 S -","- C26 H26 N2 O3 S -","- C26 H26 N2 O3 S -","1","1","","Senthil, K.; SIVAPERUMAN, KALAINATHAN; Kumar, A. Ruban","Effect of additives on the large size growth of 4-N, N-dimethylamino-4-N-methyl stilbazolium naphthalene-2-sulfonate (DSNS) single crystal:An efficient stilbazolium derivative NLO crystal with potential Terahertz Wave properties","CrystEngComm","2014","","","","","10.1039/C4CE01350F","","","1.54178","CuKα","","0.215","0.1299","","","0.2828","0.3389","","","","","","0.622","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217852","7.1364","0.0004","14.89","0.0009","14.839","0.0007","90","","91.636","0.005","90","","1576.16","0.15","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H17 Cl N4 O5 -","- C14 H17 Cl N4 O5 -","- C56 H68 Cl4 N16 O20 -","4","1","","Prasad, Karothu Durga; Cherukuvada, Suryanarayan; Devaraj Stephen, L.; Guru Row, Tayur N.","Effect of inductive effect on the formation of cocrystals and eutectics","CrystEngComm","2014","16","42","9930","","10.1039/C4CE01489H","","","0.71073","MoKα","","0.069","0.0484","","","0.097","0.109","","","","","","1.038","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217853","6.9766","0.0003","15.2461","0.0008","14.61","0.0007","90","","91.602","0.004","90","","1553.4","0.13","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 Cl N3 O6 -","- C14 H16 Cl N3 O6 -","- C56 H64 Cl4 N12 O24 -","4","1","","Prasad, Karothu Durga; Cherukuvada, Suryanarayan; Devaraj Stephen, L.; Guru Row, Tayur N.","Effect of inductive effect on the formation of cocrystals and eutectics","CrystEngComm","2014","16","42","9930","","10.1039/C4CE01489H","","","0.71073","MoKα","","0.0966","0.0619","","","0.1481","0.1765","","","","","","1.041","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217854","7.0625","0.0009","15.0679","0.0019","14.7835","0.0014","90","","90.563","0.009","90","","1573.1","0.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H16.25 Cl N3.25 O5.75 -","- C14 H16.63 Cl N3.63 O5.37 -","- C56 H66.52 Cl4 N14.52 O21.48 -","4","1","","Prasad, Karothu Durga; Cherukuvada, Suryanarayan; Devaraj Stephen, L.; Guru Row, Tayur N.","Effect of inductive effect on the formation of cocrystals and eutectics","CrystEngComm","2014","16","42","9930","","10.1039/C4CE01489H","","","0.71073","MoKα","","0.0741","0.0554","","","0.1351","0.1457","","","","","","1.034","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217855","7.0287","0.0005","15.0835","0.0011","14.7528","0.0011","90","","90.09","0.006","90","","1564.1","0.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H16.5 Cl N3.5 O5.5 -","- C14 H16.47 Cl N3.47 O5.53 -","- C56 H65.88 Cl4 N13.88 O22.12 -","4","1","","Prasad, Karothu Durga; Cherukuvada, Suryanarayan; Devaraj Stephen, L.; Guru Row, Tayur N.","Effect of inductive effect on the formation of cocrystals and eutectics","CrystEngComm","2014","16","42","9930","","10.1039/C4CE01489H","","","0.71073","MoKα","","0.082","0.0617","","","0.1524","0.1651","","","","","","1.053","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7217856","5.378","0.002","9.788","0.004","8.399","0.003","90","","101.676","0.004","90","","433","0.3","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-isopropyl-L-valine","","- C8 H17 N O2 -","- C8 H17 N O2 -","- C16 H34 N2 O4 -","2","1","","Görbitz, C. H.; Leirvåg, A. B.; Jacobsen, Ø.","Hydrogen bond architecture in crystal structures of N-alkylated hydrophobic amino acids","CrystEngComm","2014","16","41","9631","","10.1039/C4CE01412J","","","0.71073","MoKα","","0.0522","0.0455","","","0.1245","0.1304","","","","","","1.09","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217857","17.382","0.004","10.705","0.002","9.608","0.002","90","","90","","90","","1787.8","0.6","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","N-Isopropyl-DL-valine","","- C8 H17 N O2 -","- C8 H17 N O2 -","- C64 H136 N8 O16 -","8","1","","Görbitz, C. H.; Leirvåg, A. B.; Jacobsen, Ø.","Hydrogen bond architecture in crystal structures of N-alkylated hydrophobic amino acids","CrystEngComm","2014","16","41","9631","","10.1039/C4CE01412J","","","0.71073","MoKα","","0.1073","0.0408","","","0.0981","0.1292","","","","","","1.012","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217858","9.2948","0.0018","10.79","0.002","19.871","0.004","90","","90","","90","","1992.9","0.7","105","2","105","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-isopropyl-L-leucine","","- C9 H19 N O2 -","- C9 H19 N O2 -","- C72 H152 N8 O16 -","8","2","","Görbitz, C. H.; Leirvåg, A. B.; Jacobsen, Ø.","Hydrogen bond architecture in crystal structures of N-alkylated hydrophobic amino acids","CrystEngComm","2014","16","41","9631","","10.1039/C4CE01412J","","","0.71073","MoKα","","0.0488","0.039","","","0.0868","0.0907","","","","","","1.077","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217859","10.75","0.002","9.407","0.002","11.079","0.003","90","","95.013","0.003","90","","1116.1","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-isopropyl-L-phenylalanine","","- C12 H17 N O2 -","- C12 H17 N O2 -","- C48 H68 N4 O8 -","4","2","","Görbitz, C. H.; Leirvåg, A. B.; Jacobsen, Ø.","Hydrogen bond architecture in crystal structures of N-alkylated hydrophobic amino acids","CrystEngComm","2014","16","41","9631","","10.1039/C4CE01412J","","","0.71073","MoKα","","0.0555","0.038","","","0.086","0.0952","","","","","","1.028","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217860","5.766","0.003","12.082","0.005","16.559","0.007","90","","90","","90","","1153.6","0.9","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-benzyl-L-valine","N-benzyl-S-2-amino-4-methylpropanoic acid","","- C12 H17 N O2 -","- C12 H17 N O2 -","- C48 H68 N4 O8 -","4","1","","Görbitz, C. H.; Leirvåg, A. B.; Jacobsen, Ø.","Hydrogen bond architecture in crystal structures of N-alkylated hydrophobic amino acids","CrystEngComm","2014","16","41","9631","","10.1039/C4CE01412J","","","1.54178","CuKα","","0.1087","0.0663","","","0.1081","0.1229","","","","","","1.081","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217861","27.4601","0.0015","14.8337","0.0007","15.0974","0.0007","90","","112.024","0.007","90","","5700.9","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H32 N6 Ni2 O9 -","- C52 H32 N6 Ni2 O9 -","- C208 H128 N24 Ni8 O36 -","4","0.5","","Gong, Yun; Zhang, Miao Miao; Zhang, Pan; Shi, Hui Fang; Jiang, Peng Gang; Lin, Jian Hua","Metal‒organic frameworks based on 4-(4-carboxyphenyl)-2,2,4,4-terpyridine: structures, topologies and electrocatalytic behaviors in sodium laurylsulfonate aqueous solution","CrystEngComm","2014","16","42","9882","","10.1039/C4CE01506A","","","0.71073","MoKα","","0.0882","0.0756","","","0.2419","0.2579","","","","","","1.1","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217862","27.7567","0.0016","15.074","0.0005","15.1426","0.0007","90","","111.883","0.007","90","","5879.2","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H32 Co2 N6 O9 -","- C52 H32 Co2 N6 O9 -","- C208 H128 Co8 N24 O36 -","4","0.5","","Gong, Yun; Zhang, Miao Miao; Zhang, Pan; Shi, Hui Fang; Jiang, Peng Gang; Lin, Jian Hua","Metal‒organic frameworks based on 4-(4-carboxyphenyl)-2,2,4,4-terpyridine: structures, topologies and electrocatalytic behaviors in sodium laurylsulfonate aqueous solution","CrystEngComm","2014","16","42","9882","","10.1039/C4CE01506A","","","0.71073","MoKα","","0.0722","0.0596","","","0.2083","0.2201","","","","","","1.105","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217863","18.7063","0.0018","22.983","0.002","17.7139","0.0015","90","","105.866","0.002","90","","7325.6","1.1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H58 Cu N8 O8 -","- C26 H19 Cu N3 O5.5 -","- C208 H152 Cu8 N24 O44 -","8","1","","Gong, Yun; Zhang, Miao Miao; Zhang, Pan; Shi, Hui Fang; Jiang, Peng Gang; Lin, Jian Hua","Metal‒organic frameworks based on 4-(4-carboxyphenyl)-2,2,4,4-terpyridine: structures, topologies and electrocatalytic behaviors in sodium laurylsulfonate aqueous solution","CrystEngComm","2014","16","42","9882","","10.1039/C4CE01506A","","","0.71073","MoKα","","0.1377","0.0811","","","0.227","0.247","","","","","","0.899","","","","has coordinates,has disorder","180509","2020-10-21","18:00:00",""
"7217864","31.4162","0.0016","31.4162","0.0016","14.1226","0.0014","90","","90","","120","","12071.3","1.5","296","2","296","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C18 H28.5 In N4.5 O13 -","- C14 H10.5 In N3.5 O8 -","- C252 H189 In18 N63 O144 -","18","1","","Wang, Jing; Luo, Jiahuan; Zhi, Bo; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Anion-templated assembly of three indium‒organic frameworks with diverse topologies","CrystEngComm","2014","16","42","9810","","10.1039/C4CE01326C","","","0.71073","MoKα","","0.05","0.0461","","","0.1256","0.1307","","","","","","1.04","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7217865","24.681","0.004","24.681","0.004","10.819","0.002","90","","90","","90","","6590.4","1.9","293","2","293","2","","","","","","","","5","I -4","I -4","82","","","","- C19 H29 In N4 O12 -","- C13 H7 In N2 O8 -","- C104 H56 In8 N16 O64 -","8","1","","Wang, Jing; Luo, Jiahuan; Zhi, Bo; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Anion-templated assembly of three indium‒organic frameworks with diverse topologies","CrystEngComm","2014","16","42","9810","","10.1039/C4CE01326C","","","0.71073","MoKα","","0.0753","0.0702","","","0.1936","0.197","","","","","","1.083","","","","has coordinates,has disorder","180509","2020-10-21","18:00:00",""
"7217866","27.59","0.003","27.59","0.003","27.59","0.003","90","","90","","90","","21002","4","293","2","293","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C18 H26 Cl In N4 O9 -","- C12 H6 Cl In N2 O4 -","- C288 H144 Cl24 In24 N48 O96 -","24","1","","Wang, Jing; Luo, Jiahuan; Zhi, Bo; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Anion-templated assembly of three indium‒organic frameworks with diverse topologies","CrystEngComm","2014","16","42","9810","","10.1039/C4CE01326C","","","0.71073","MoKα","","0.0677","0.051","","","0.1656","0.1717","","","","","","1.169","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217867","9.139","0.0011","9.306","0.001","9.7714","0.0012","85.131","0.01","65.297","0.013","71.185","0.011","713.44","0.17","150","2","150","2","","","","","","","","4","P 1","P 1","1","","","","- C12 H16 N4 O7 -","- C12 H16 N4 O7 -","- C24 H32 N8 O14 -","2","2","","Leyssens, T.; Tumanova, N.; Robeyns, K.; Candoni, N.; Veesler, S.","Solution cocrystallization, an effective tool to explore the variety of cocrystal systems: caffeine/dicarboxylic acid cocrystals","CrystEngComm","2014","16","41","9603","","10.1039/C4CE01495B","","","0.71073","MoKα","","0.0609","0.058","","","0.1558","0.1595","","","","","","1.059","","","","has coordinates,has disorder","180509","2020-10-21","18:00:00",""
"7217868","21.3368","0.0009","17.052","0.0005","6.7877","0.0003","90","","93.674","0.004","90","","2464.53","0.17","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 N8 O8 -","- C22 H30 N8 O8 -","- C88 H120 N32 O32 -","4","1","","Leyssens, T.; Tumanova, N.; Robeyns, K.; Candoni, N.; Veesler, S.","Solution cocrystallization, an effective tool to explore the variety of cocrystal systems: caffeine/dicarboxylic acid cocrystals","CrystEngComm","2014","16","41","9603","","10.1039/C4CE01495B","","","0.82103","synchrotron","","0.0906","0.0721","","","0.1444","0.1504","","","","","","1.019","","","","has coordinates,has disorder","180509","2020-10-21","18:00:00",""
"7217869","7.6414","0.0006","15.7487","0.0009","39.13","0.003","90","","90","","90","","4709","0.6","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H26 N8 O8 -","- C21 H26 N8 O8 -","- C168 H208 N64 O64 -","8","1","","Leyssens, T.; Tumanova, N.; Robeyns, K.; Candoni, N.; Veesler, S.","Solution cocrystallization, an effective tool to explore the variety of cocrystal systems: caffeine/dicarboxylic acid cocrystals","CrystEngComm","2014","16","41","9603","","10.1039/C4CE01495B","","","0.71073","MoKα","","0.0857","0.0503","","","0.1264","0.1469","","","","","","1.034","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217870","8.5926","0.0003","18.4382","0.0007","14.9164","0.0005","90","","92.437","0.003","90","","2361.1","0.15","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H26 N8 O8 -","- C21 H26 N8 O8 -","- C84 H104 N32 O32 -","4","1","","Leyssens, T.; Tumanova, N.; Robeyns, K.; Candoni, N.; Veesler, S.","Solution cocrystallization, an effective tool to explore the variety of cocrystal systems: caffeine/dicarboxylic acid cocrystals","CrystEngComm","2014","16","41","9603","","10.1039/C4CE01495B","","","0.71073","MoKα","","0.0812","0.0646","","","0.1674","0.1798","","","","","","1.05","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217871","7.9317","0.0006","8.2797","0.0002","20.4795","0.0015","89.975","0.006","83.335","0.006","61.808","0.006","1175.1","0.15","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H26 N8 O8 -","- C21 H26 N8 O8 -","- C42 H52 N16 O16 -","2","1","","Leyssens, T.; Tumanova, N.; Robeyns, K.; Candoni, N.; Veesler, S.","Solution cocrystallization, an effective tool to explore the variety of cocrystal systems: caffeine/dicarboxylic acid cocrystals","CrystEngComm","2014","16","41","9603","","10.1039/C4CE01495B","","","0.71073","MoKα","","0.0704","0.0651","","","0.1626","0.1662","","","","","","1.126","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217872","44.164","0.003","3.94516","0.00019","27.676","0.003","90","","96.236","0.008","90","","4793.6","0.7","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C44 H55 N17 O16 -","- C44 H55 N17 O16 -","- C176 H220 N68 O64 -","4","1","","Leyssens, T.; Tumanova, N.; Robeyns, K.; Candoni, N.; Veesler, S.","Solution cocrystallization, an effective tool to explore the variety of cocrystal systems: caffeine/dicarboxylic acid cocrystals","CrystEngComm","2014","16","41","9603","","10.1039/C4CE01495B","","","0.82103","synchrotron","","0.1003","0.0951","","","0.2474","0.2544","","","","","","1.037","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217892","9.426","0.003","18.856","0.005","6.887","0.001","90","","90","","119.97","0.01","1060.4","0.5","","","","","","","","","","","","4","P 1 1 21/b","-P 2bc","14","","Pentacalcium tris(phosphate(V)) hydroxide","","- Ca5 H O13 P3 -","- Ca20 O52 P12 -","- Ca20 O52 P12 -","","","","Espanol, Montserrat; Portillo, Joaquim; Manero, Jose-Maria; Ginebra, Maria-Pau","Investigation of the hydroxyapatite obtained as hydrolysis product of α-tricalcium phosphate by transmission electron microscopy","CrystEngComm","2010","12","10","3318","3326","10.1039/c001754j","","","","","","0.0541","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7217893","19.692","0.004","9.523","0.002","6.835","0.002","90.15","0.02","92.54","0.02","108.65","0.01","1213.1","0.5","","","","","","","","","","","","4","P -1","-P 1","2","","Octacalcium bis(hydrogenphosphate) tetrakis(phosphate) pentahydrate","","- Ca8 H12 O29 P6 -","- Ca16 H24 O58 P12 -","- Ca16 H24 O58 P12 -","","","","Espanol, Montserrat; Portillo, Joaquim; Manero, Jose-Maria; Ginebra, Maria-Pau","Investigation of the hydroxyapatite obtained as hydrolysis product of α-tricalcium phosphate by transmission electron microscopy","CrystEngComm","2010","12","10","3318","3326","10.1039/c001754j","","","","","","0.0541","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7217894","9.4232","0.0002","9.4232","0.0002","6.8833","0.0002","90","","90","","120","","529.33","0.02","","","","","","","","","","","","4","P 63/m","-P 6c","176","","Calcium phosphate(V) hydroxide (10.08/5.9/2.32)","","- Ca10.084 H3.39 O27.15 P5.94 -","- Ca10.084 H2.556 O27.148 P5.94 -","- Ca10.084 H2.556 O27.148 P5.94 -","","","","Espanol, Montserrat; Portillo, Joaquim; Manero, Jose-Maria; Ginebra, Maria-Pau","Investigation of the hydroxyapatite obtained as hydrolysis product of α-tricalcium phosphate by transmission electron microscopy","CrystEngComm","2010","12","10","3318","3326","10.1039/c001754j","","","","","","0.0604","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7217975","26.73","0.04","6.863","0.008","13.068","0.018","90","","110.22","0.07","90","","2250","5","293","2","293","2","4800000","","4800000","","","","","5","C 1 2/c 1","-C 2yc","15","","Dichlorido(1,2-bis(dimethylphosphino)benzene)germanium(II)","","- C10 H16 Cl2 Ge P2 -","- C10 H16 Cl2 Ge P2 -","- C80 H128 Cl16 Ge8 P16 -","8","1","","Allan, David R.; Coles, Simon J.; George, Kathryn; Jura, Marek; Levason, William; Reid, Gillian; Wilson, Claire; Zhang, Wenjian","Exploring secondary bonding in p-block chemistry ‒ an experimental study of [GeX2{o-C6H4(PMe2)2}] using variable pressure single crystal X-ray diffraction","CrystEngComm","2014","16","35","8169","","10.1039/C4CE00329B","","","0.4859","Synchrotron","","0.1416","0.0938","","","0.1526","0.1784","","","","","","1.126","","","","has coordinates","180510","2020-10-21","18:00:00",""
"7217976","27.82","0.08","7.38","0.02","13.96","0.04","90","","109.73","0.16","90","","2698","13","293","2","293","2","100000","","100000","","","","","5","C 1 2/c 1","-C 2yc","15","","Dichlorido(1,2-bis(dimethylphosphino)benzene)germanium(II)","","- C10 H16 Cl2 Ge P2 -","- C10 H16 Cl2 Ge P2 -","- C80 H128 Cl16 Ge8 P16 -","8","1","","Allan, David R.; Coles, Simon J.; George, Kathryn; Jura, Marek; Levason, William; Reid, Gillian; Wilson, Claire; Zhang, Wenjian","Exploring secondary bonding in p-block chemistry ‒ an experimental study of [GeX2{o-C6H4(PMe2)2}] using variable pressure single crystal X-ray diffraction","CrystEngComm","2014","16","35","8169","","10.1039/C4CE00329B","","","0.4859","synchrotron","","0.1696","0.098","","","0.2153","0.2795","","","","","","1.096","","","","has coordinates","180510","2020-10-21","18:00:00",""
"7217977","27.99","0.04","7.325","0.01","13.88","0.02","90","","110.29","0.08","90","","2669","7","293","2","293","2","1100000","","1100000","","","","","5","C 1 2/c 1","-C 2yc","15","","Dichlorido(1,2-bis(dimethylphosphino)benzene)germanium(II)","","- C10 H16 Cl2 Ge P2 -","- C10 H16 Cl2 Ge P2 -","- C80 H128 Cl16 Ge8 P16 -","8","1","","Allan, David R.; Coles, Simon J.; George, Kathryn; Jura, Marek; Levason, William; Reid, Gillian; Wilson, Claire; Zhang, Wenjian","Exploring secondary bonding in p-block chemistry ‒ an experimental study of [GeX2{o-C6H4(PMe2)2}] using variable pressure single crystal X-ray diffraction","CrystEngComm","2014","16","35","8169","","10.1039/C4CE00329B","","","0.4859","Synchrotron","","0.1813","0.1238","","","0.2272","0.2733","","","","","","1.092","","","","has coordinates","180510","2020-10-21","18:00:00",""
"7217978","27.691","0.016","7.225","0.003","13.704","0.004","90","","110","0.03","90","","2576","2","293","2","293","","1400000","","1400000","","","","","5","C 1 2/c 1","-C 2yc","15","","Dichlorido(1,2-bis(dimethylphosphino)benzene)germanium(II)","","- C10 H16 Cl2 Ge P2 -","- C10 H16 Cl2 Ge P2 -","- C80 H128 Cl16 Ge8 P16 -","8","1","","Allan, David R.; Coles, Simon J.; George, Kathryn; Jura, Marek; Levason, William; Reid, Gillian; Wilson, Claire; Zhang, Wenjian","Exploring secondary bonding in p-block chemistry ‒ an experimental study of [GeX2{o-C6H4(PMe2)2}] using variable pressure single crystal X-ray diffraction","CrystEngComm","2014","16","35","8169","","10.1039/C4CE00329B","","","0.4859","synchrotron","","0.1954","0.1138","","","0.2252","0.2981","","","","","","1.123","","","","has coordinates","180510","2020-10-21","18:00:00",""
"7217979","27.38","0.008","7.0724","0.0014","13.445","0.002","90","","110.187","0.015","90","","2443.6","1","293","2","293.15","","3000000","","3000000","","","","","5","C 1 2/c 1","-C 2yc","15","","Dichlorido(1,2-bis(dimethylphosphino)benzene)germanium(II)","","- C10 H16 Cl2 Ge P2 -","- C10 H16 Cl2 Ge P2 -","- C80 H128 Cl16 Ge8 P16 -","8","1","","Allan, David R.; Coles, Simon J.; George, Kathryn; Jura, Marek; Levason, William; Reid, Gillian; Wilson, Claire; Zhang, Wenjian","Exploring secondary bonding in p-block chemistry ‒ an experimental study of [GeX2{o-C6H4(PMe2)2}] using variable pressure single crystal X-ray diffraction","CrystEngComm","2014","16","35","8169","","10.1039/C4CE00329B","","","0.4859","synchrotron","","0.1795","0.1115","","","0.2177","0.2822","","","","","","1.114","","","","has coordinates","180510","2020-10-21","18:00:00",""
"7217980","26.91","0.04","6.962","0.008","13.249","0.018","90","","110.3","0.07","90","","2328","5","293","2","293","2","3800000","","3800000","","","","","5","C 1 2/c 1","-C 2yc","15","","Dichlorido(1,2-bis(dimethylphosphino)benzene)germanium(II)","","- C10 H16 Cl2 Ge P2 -","- C10 H16 Cl2 Ge P2 -","- C80 H128 Cl16 Ge8 P16 -","8","1","","Allan, David R.; Coles, Simon J.; George, Kathryn; Jura, Marek; Levason, William; Reid, Gillian; Wilson, Claire; Zhang, Wenjian","Exploring secondary bonding in p-block chemistry ‒ an experimental study of [GeX2{o-C6H4(PMe2)2}] using variable pressure single crystal X-ray diffraction","CrystEngComm","2014","16","35","8169","","10.1039/C4CE00329B","","","0.4859","Synchrotron","","0.1471","0.0969","","","0.1691","0.203","","","","","","1.004","","","","has coordinates","180510","2020-10-21","18:00:00",""
"7217981","24.3","0.13","6.83","0.03","13.37","0.07","90","","92.3","0.3","90","","2217","19","293","2","293","","9400000","","9400000","","","","","5","C 1 2/c 1","-C 2yc","15","","Dibromo(1,2-bis(dimethylphosphino)benzene-P,P')germanium(II)","","- C10 H16 Br2 Ge P2 -","- C10 H16 Br2 Ge P2 -","- C80 H128 Br16 Ge8 P16 -","8","1","","Allan, David R.; Coles, Simon J.; George, Kathryn; Jura, Marek; Levason, William; Reid, Gillian; Wilson, Claire; Zhang, Wenjian","Exploring secondary bonding in p-block chemistry ‒ an experimental study of [GeX2{o-C6H4(PMe2)2}] using variable pressure single crystal X-ray diffraction","CrystEngComm","2014","16","35","8169","","10.1039/C4CE00329B","","","0.6889","synchrotron","","0.1391","0.1005","","","0.2415","0.2729","","","","","","1.121","","","","has coordinates","180510","2020-10-21","18:00:00",""
"7217982","29.46","0.04","7.628","0.009","14.51","0.017","90","","111.334","0.018","90","","3037","7","293","","293","","100","","100","","","","","5","C 1 2/c 1","-C 2yc","15","","Dibromo(1,2-bis(dimethylphosphino)benzene-P,P')germanium(II)","","- C10 H16 Br2 Ge P2 -","- C10 H16 Br2 Ge P2 -","- C80 H128 Br16 Ge8 P16 -","8","1","","Allan, David R.; Coles, Simon J.; George, Kathryn; Jura, Marek; Levason, William; Reid, Gillian; Wilson, Claire; Zhang, Wenjian","Exploring secondary bonding in p-block chemistry ‒ an experimental study of [GeX2{o-C6H4(PMe2)2}] using variable pressure single crystal X-ray diffraction","CrystEngComm","2014","16","35","8169","","10.1039/C4CE00329B","","","0.6889","synchrotron","","0.1311","0.0792","","","0.1522","0.1904","","","","","","1.156","","","","has coordinates","180510","2020-10-21","18:00:00",""
"7217983","29.22","0.04","7.578","0.008","14.434","0.018","90","","111.13","0.02","90","","2981","6","293","2","293","","200000","","200000","","","","","5","C 1 2/c 1","-C 2yc","15","","Dibromo(1,2-bis(dimethylphosphino)benzene-P,P')germanium(II)","","- C10 H16 Br2 Ge P2 -","- C10 H16 Br2 Ge P2 -","- C80 H128 Br16 Ge8 P16 -","8","1","","Allan, David R.; Coles, Simon J.; George, Kathryn; Jura, Marek; Levason, William; Reid, Gillian; Wilson, Claire; Zhang, Wenjian","Exploring secondary bonding in p-block chemistry ‒ an experimental study of [GeX2{o-C6H4(PMe2)2}] using variable pressure single crystal X-ray diffraction","CrystEngComm","2014","16","35","8169","","10.1039/C4CE00329B","","","0.6889","synchrotron","","0.183","0.0909","","","0.2416","0.349","","","","","","1.029","","","","has coordinates","180510","2020-10-21","18:00:00",""
"7217984","28.41","0.03","7.339","0.005","14.008","0.013","90","","111.53","0.02","90","","2717","4","293","2","293","","1100000","","1100000","","","","","5","C 1 2/c 1","-C 2yc","15","","Dibromo(1,2-bis(dimethylphosphino)benzene-P,P')germanium(II)","","- C10 H16 Br2 Ge P2 -","- C10 H16 Br2 Ge P2 -","- C80 H128 Br16 Ge8 P16 -","8","1","","Allan, David R.; Coles, Simon J.; George, Kathryn; Jura, Marek; Levason, William; Reid, Gillian; Wilson, Claire; Zhang, Wenjian","Exploring secondary bonding in p-block chemistry ‒ an experimental study of [GeX2{o-C6H4(PMe2)2}] using variable pressure single crystal X-ray diffraction","CrystEngComm","2014","16","35","8169","","10.1039/C4CE00329B","","","0.6889","synchrotron","","0.1468","0.0838","","","0.2366","0.3289","","","","","","1.179","","","","has coordinates","180510","2020-10-21","18:00:00",""
"7217985","27.88","0.03","7.166","0.006","13.692","0.013","90","","111.678","0.015","90","","2542","4","293","2","293","","2700000","","2700000","","","","","5","C 1 2/c 1","-C 2yc","15","","Dibromo(1,2-bis(dimethylphosphino)benzene-P,P')germanium(II)","","- C10 H16 Br2 Ge P2 -","- C10 H16 Br2 Ge P2 -","- C80 H128 Br16 Ge8 P16 -","8","1","","Allan, David R.; Coles, Simon J.; George, Kathryn; Jura, Marek; Levason, William; Reid, Gillian; Wilson, Claire; Zhang, Wenjian","Exploring secondary bonding in p-block chemistry ‒ an experimental study of [GeX2{o-C6H4(PMe2)2}] using variable pressure single crystal X-ray diffraction","CrystEngComm","2014","16","35","8169","","10.1039/C4CE00329B","","","0.6889","synchrotron","","0.1132","0.083","","","0.2495","0.3198","","","","","","1.286","","","","has coordinates","180510","2020-10-21","18:00:00",""
"7217986","25.79","0.1","7.17","0.03","14.06","0.05","90","","92.24","0.08","90","","2598","17","293","2","293","","4100000","","4100000","","","","","5","C 1 2/c 1","-C 2yc","15","","Dibromo(1,2-bis(dimethylphosphino)benzene-P,P')germanium(II)","","- C10 H16 Br2 Ge P2 -","- C10 H16 Br2 Ge P2 -","- C80 H128 Br16 Ge8 P16 -","8","1","","Allan, David R.; Coles, Simon J.; George, Kathryn; Jura, Marek; Levason, William; Reid, Gillian; Wilson, Claire; Zhang, Wenjian","Exploring secondary bonding in p-block chemistry ‒ an experimental study of [GeX2{o-C6H4(PMe2)2}] using variable pressure single crystal X-ray diffraction","CrystEngComm","2014","16","35","8169","","10.1039/C4CE00329B","","","0.6889","synchrotron","","0.178","0.1146","","","0.2847","0.3481","","","","","","1.106","","","","has coordinates","180510","2020-10-21","18:00:00",""
"7217987","24.773","0.01","6.98","0.03","13.67","0.05","90","","92.25","0.11","90","","2362","13","293","2","293","","5400000","","5400000","","","","","5","C 1 2/c 1","-C 2yc","15","","Dibromo(1,2-bis(dimethylphosphino)benzene-P,P')germanium(II)","","- C10 H16 Br2 Ge P2 -","- C10 H16 Br2 Ge P2 -","- C80 H128 Br16 Ge8 P16 -","8","1","","Allan, David R.; Coles, Simon J.; George, Kathryn; Jura, Marek; Levason, William; Reid, Gillian; Wilson, Claire; Zhang, Wenjian","Exploring secondary bonding in p-block chemistry ‒ an experimental study of [GeX2{o-C6H4(PMe2)2}] using variable pressure single crystal X-ray diffraction","CrystEngComm","2014","16","35","8169","","10.1039/C4CE00329B","","","0.6889","synchrotron","","0.1576","0.1077","","","0.2252","0.2628","","","","","","1.046","","","","has coordinates","180510","2020-10-21","18:00:00",""
"7217988","24.73","0.06","6.956","0.013","13.63","0.03","90","","92.59","0.06","90","","2342","9","293","2","293","","6300000","","6300000","","","","","5","C 1 2/c 1","-C 2yc","15","","Dibromo(1,2-bis(dimethylphosphino)benzene-P,P')germanium(II)","","- C10 H16 Br2 Ge P2 -","- C10 H16 Br2 Ge P2 -","- C80 H128 Br16 Ge8 P16 -","8","1","","Allan, David R.; Coles, Simon J.; George, Kathryn; Jura, Marek; Levason, William; Reid, Gillian; Wilson, Claire; Zhang, Wenjian","Exploring secondary bonding in p-block chemistry ‒ an experimental study of [GeX2{o-C6H4(PMe2)2}] using variable pressure single crystal X-ray diffraction","CrystEngComm","2014","16","35","8169","","10.1039/C4CE00329B","","","0.6889","","","0.1659","0.1072","","","0.234","0.2808","","","","","","1.118","","","","has coordinates","180510","2020-10-21","18:00:00",""
"7217989","24.56","0.16","6.89","0.04","13.52","0.08","90","","92.65","0.18","90","","2285","2","293","2","293","","8000000","","100000","","","","","5","C 1 2/c 1","-C 2yc","15","","Dibromo(1,2-bis(dimethylphosphino)benzene-P,P')germanium(II)","","- C10 H16 Br2 Ge P2 -","- C10 H16 Br2 Ge P2 -","- C80 H128 Br16 Ge8 P16 -","8","1","","Allan, David R.; Coles, Simon J.; George, Kathryn; Jura, Marek; Levason, William; Reid, Gillian; Wilson, Claire; Zhang, Wenjian","Exploring secondary bonding in p-block chemistry ‒ an experimental study of [GeX2{o-C6H4(PMe2)2}] using variable pressure single crystal X-ray diffraction","CrystEngComm","2014","16","35","8169","","10.1039/C4CE00329B","","","0.6889","","","0.1591","0.103","","","0.2284","0.2652","","","","","","1.065","","","","has coordinates","180510","2020-10-21","18:00:00",""
"7218021","20.184","0.004","20.184","0.004","13.719","0.003","90","","90","","90","","5589","2","150","2","150","2","","","","","","","","5","I 41","I 4bw","80","","","","- C32 H32 Co N2 O5 -","- C32 H32 Co N2 O5 -","- C256 H256 Co8 N16 O40 -","8","1","","Banerjee, Subarna; Rajakannu, Palanisamy; Butcher, Raymond J.; Murugavel, Ramaswamy","Auxiliary ligand-aided tuning of aggregation of transition metal benzoates: isolation of four different types of coordination polymers","CrystEngComm","2014","16","36","8429","","10.1039/C4CE01043D","","","0.71075","MoKα","","0.0339","0.0334","","","0.0886","0.0891","","","","","","0.852","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218037","22.9973","0.0004","22.9973","0.0004","22.5955","0.0007","90","","90","","90","","11950.2","0.5","293","2","293","2","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","","","","- C102 H131 Cd3 N2 O47.5 -","- C102 H104 Cd3 N2 O47.5 -","- C408 H416 Cd12 N8 O190 -","4","0.5","","Jiang, Wei; Zhang, Hang; Yang, Jin; Liu, Ying-Ying; Liu, Hai-Yan; Ma, Jian-Fang","Three resorcin[4]arene-based complexes with Cu(ii)-exchange characteristics and fluorescence sensing of polyoxometalates in aqueous solutions","CrystEngComm","2014","16","41","9638","","10.1039/C4CE01376J","","","0.71073","MoKα","","0.2048","0.1146","","","0.2694","0.3376","","","","","","1.024","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218038","17.6923","0.0007","15.6746","0.0007","42.594","0.0011","90","","90","","90","","11812.2","0.8","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C96 H96 O36 Zn4 -","- C96 H88 O36 Zn4 -","- C384 H352 O144 Zn16 -","4","1","","Jiang, Wei; Zhang, Hang; Yang, Jin; Liu, Ying-Ying; Liu, Hai-Yan; Ma, Jian-Fang","Three resorcin[4]arene-based complexes with Cu(ii)-exchange characteristics and fluorescence sensing of polyoxometalates in aqueous solutions","CrystEngComm","2014","16","41","9638","","10.1039/C4CE01376J","","","1.54184","CuKα","","0.1247","0.0998","","","0.2696","0.2953","","","","","","1.011","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218039","11.8811","0.0006","20.9902","0.0014","21.3711","0.0011","79.558","0.005","81.534","0.004","86.36","0.005","5180.6","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C206 H250 Mn9 N4 O94 -","- C206 H206 Mn9 N4 O94 -","- C206 H206 Mn9 N4 O94 -","1","0.5","","Jiang, Wei; Zhang, Hang; Yang, Jin; Liu, Ying-Ying; Liu, Hai-Yan; Ma, Jian-Fang","Three resorcin[4]arene-based complexes with Cu(ii)-exchange characteristics and fluorescence sensing of polyoxometalates in aqueous solutions","CrystEngComm","2014","16","41","9638","","10.1039/C4CE01376J","","","0.71073","MoKα","","0.2061","0.0962","","","0.2144","0.2808","","","","","","1.025","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218040","12.2409","0.0006","13.5072","0.0007","20.2897","0.0014","103.942","0.01","100.864","0.008","93.222","0.005","3179.3","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H87 N O18 Zn2 -","- C62 H65 N O18 Zn2 -","- C124 H130 N2 O36 Zn4 -","2","1","","Li, Xiao-Tong; Li, Jing; Li, Meng; Liu, Ying-Ying; Song, Shu-Yan; Ma, Jian-Fang","An unusual lamellar framework constructed from a tetracarboxylatocalix[4]arene with highly efficient metal-ion exchange","CrystEngComm","2014","16","40","9520","","10.1039/C4CE01463D","","","0.71073","MoKα","","0.0643","0.0467","","","0.1191","0.132","","","","","","1.029","","","","has coordinates,has disorder","180511","2020-10-21","18:00:00",""
"7218041","11.969","0.001","14.298","0.002","19.673","0.0013","88.059","0.004","89.676","0.006","83.535","0.005","3343.4","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C120 H194 N4 O45 Zn2 -","- C120 H126 N4 O45 Zn2 -","- C120 H126 N4 O45 Zn2 -","1","0.5","","Li, Xiao-Tong; Li, Jing; Li, Meng; Liu, Ying-Ying; Song, Shu-Yan; Ma, Jian-Fang","An unusual lamellar framework constructed from a tetracarboxylatocalix[4]arene with highly efficient metal-ion exchange","CrystEngComm","2014","16","40","9520","","10.1039/C4CE01463D","","","0.71069","MoKα","","0.1189","0.0737","","","0.1698","0.1934","","","","","","1.12","","","","has coordinates,has disorder","180511","2020-10-21","18:00:00",""
"7218042","11.9388","0.0014","15.036","0.002","20.9814","0.0012","84.88","0.006","80.637","0.004","71.171","0.003","3514.6","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H94 Cd2 N2 O20 -","- C66 H72 Cd2 N2 O20 -","- C132 H144 Cd4 N4 O40 -","2","1","","Li, Xiao-Tong; Li, Jing; Li, Meng; Liu, Ying-Ying; Song, Shu-Yan; Ma, Jian-Fang","An unusual lamellar framework constructed from a tetracarboxylatocalix[4]arene with highly efficient metal-ion exchange","CrystEngComm","2014","16","40","9520","","10.1039/C4CE01463D","","","0.71073","MoKα","","0.1333","0.0871","","","0.1744","0.1965","","","","","","1.114","","","","has coordinates,has disorder","180511","2020-10-21","18:00:00",""
"7218049","33.174","0.007","5.5878","0.0011","20.516","0.004","90","","127.93","0.03","90","","2999.7","1.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H16 N2 O4 P Zn -","- C14 H16 N2 O4 P Zn -","- C112 H128 N16 O32 P8 Zn8 -","8","1","","Zhou, Ming-Jie; Li, Bing; Liu, Li; Feng, Yan-Long; Guo, Jian-Zhong","Two polymorphs of zinc(ii) coordination polymers constructed from 2-carboxyethyl(phenyl)phosphinate and 1,4-bis(1H-imidazol-1-yl)butane ligands","CrystEngComm","2014","16","43","10034","","10.1039/C4CE01102C","","","0.71073","MoKα","","0.0896","0.0502","","","0.1083","0.1562","","","","","","1.144","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218050","11.496","0.002","13.665","0.003","11.051","0.002","90","","116.53","0.03","90","","1553.2","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 N2 O4 P Zn -","- C14 H16 N2 O4 P Zn -","- C56 H64 N8 O16 P4 Zn4 -","4","1","","Zhou, Ming-Jie; Li, Bing; Liu, Li; Feng, Yan-Long; Guo, Jian-Zhong","Two polymorphs of zinc(ii) coordination polymers constructed from 2-carboxyethyl(phenyl)phosphinate and 1,4-bis(1H-imidazol-1-yl)butane ligands","CrystEngComm","2014","16","43","10034","","10.1039/C4CE01102C","","","0.71073","MoKα","","0.062","0.0544","","","0.164","0.1681","","","","","","1.139","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218051","4.0513","0.0009","11.154","0.002","12.902","0.003","104.617","0.011","94.207","0.011","94.195","0.012","560.1","0.2","293","2","293","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","1,5-dimethyl-3-(p-ethynylphenyl)-6-oxoverdazyl","","- C12 H11 N4 O -","- C12 H11 N4 O -","- C24 H22 N8 O2 -","2","1","","Merhi, Areej; Roisnel, Thierry; Rigaut, Stéphane; Train, Cyrille; Norel, Lucie","Ferromagnetic intermolecular exchange interaction in ethynyl-verdazyl radical crystals","CrystEngComm","2014","16","42","9783","","10.1039/C4CE01437E","","x-ray","0.71073","MoKα","","0.0959","0.0537","","","0.1406","0.1663","","","","","","0.993","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218052","3.994","0.0004","11.1412","0.0009","12.8857","0.0011","104.875","0.004","94.557","0.004","93.967","0.004","550.03","0.09","200","2","200","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C12 H11 N4 O -","- C12 H11 N4 O -","- C24 H22 N8 O2 -","2","1","","Merhi, Areej; Roisnel, Thierry; Rigaut, Stéphane; Train, Cyrille; Norel, Lucie","Ferromagnetic intermolecular exchange interaction in ethynyl-verdazyl radical crystals","CrystEngComm","2014","16","42","9783","","10.1039/C4CE01437E","","x-ray","0.71073","MoKα","","0.0763","0.0502","","","0.1192","0.134","","","","","","0.957","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218053","3.9458","0.0002","11.1337","0.0004","12.8406","0.0005","105.091","0.002","95.1","0.002","93.601","0.002","540.32","0.04","100","2","100","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C12 H11 N4 O -","- C12 H11 N4 O -","- C24 H22 N8 O2 -","2","1","","Merhi, Areej; Roisnel, Thierry; Rigaut, Stéphane; Train, Cyrille; Norel, Lucie","Ferromagnetic intermolecular exchange interaction in ethynyl-verdazyl radical crystals","CrystEngComm","2014","16","42","9783","","10.1039/C4CE01437E","","x-ray","0.71073","MoKα","","0.0609","0.047","","","0.1207","0.1299","","","","","","1.014","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218054","9.536","0.0003","12.7918","0.0005","13.7773","0.0005","73.402","0.003","80.926","0.003","68.325","0.003","1494.11","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H30 Cd Cl2 N10 -","- C26 H30 Cd Cl2 N10 -","- C52 H60 Cd2 Cl4 N20 -","2","1","","Liang, Guorui; Liu, Yaru; Zhang, Xiao; Yi, Zhihui","Anion-dependent assemblies of a series of Cd(ii) coordination complexes based on an asymmetric multi-dentate ligand and inorganic SBUs: syntheses, crystal structures, and fluorescent properties","CrystEngComm","2014","16","42","9896","","10.1039/C4CE01456A","","","1.54184","CuKα","","0.0334","0.0295","","","0.0765","0.0793","","","","","","1.017","","","","has coordinates,has disorder","180511","2020-10-21","18:00:00",""
"7218055","9.4788","0.0004","10.2419","0.0005","10.5173","0.0002","95.716","0.003","99.798","0.003","109.484","0.004","934.99","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 Cd N7 S2 -","- C15 H15 Cd N7 S2 -","- C30 H30 Cd2 N14 S4 -","2","1","","Liang, Guorui; Liu, Yaru; Zhang, Xiao; Yi, Zhihui","Anion-dependent assemblies of a series of Cd(ii) coordination complexes based on an asymmetric multi-dentate ligand and inorganic SBUs: syntheses, crystal structures, and fluorescent properties","CrystEngComm","2014","16","42","9896","","10.1039/C4CE01456A","","","1.54184","CuKα","","0.0364","0.0351","","","0.0959","0.0977","","","","","","1.039","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218056","12.46876","0.00011","15.99954","0.00013","19.46996","0.00019","90","","103.059","0.0009","90","","3783.7","0.06","293","2","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H38 Cd2 Cl2 N16 O2 -","- C28 H38 Cd2 Cl2 N16 O2 -","- C112 H152 Cd8 Cl8 N64 O8 -","4","1","","Liang, Guorui; Liu, Yaru; Zhang, Xiao; Yi, Zhihui","Anion-dependent assemblies of a series of Cd(ii) coordination complexes based on an asymmetric multi-dentate ligand and inorganic SBUs: syntheses, crystal structures, and fluorescent properties","CrystEngComm","2014","16","42","9896","","10.1039/C4CE01456A","","","1.5418","CuKα","","0.0305","0.028","","","0.076","0.0783","","","","","","1.045","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218057","9.3734","0.0005","18.5736","0.0005","9.2232","0.0003","90","","107.887","0.005","90","","1528.12","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 Cd Cl2 N5 -","- C13 H15 Cd Cl2 N5 -","- C52 H60 Cd4 Cl8 N20 -","4","1","","Liang, Guorui; Liu, Yaru; Zhang, Xiao; Yi, Zhihui","Anion-dependent assemblies of a series of Cd(ii) coordination complexes based on an asymmetric multi-dentate ligand and inorganic SBUs: syntheses, crystal structures, and fluorescent properties","CrystEngComm","2014","16","42","9896","","10.1039/C4CE01456A","","","1.54184","CuKα","","0.0321","0.0279","","","0.0725","0.0761","","","","","","1.042","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218058","9.555","0.001","9.8491","0.0012","9.885","0.0009","72.948","0.01","68.962","0.009","86.711","0.01","828.88","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H15 Cd N11 -","- C13 H15 Cd N11 -","- C26 H30 Cd2 N22 -","2","1","","Liang, Guorui; Liu, Yaru; Zhang, Xiao; Yi, Zhihui","Anion-dependent assemblies of a series of Cd(ii) coordination complexes based on an asymmetric multi-dentate ligand and inorganic SBUs: syntheses, crystal structures, and fluorescent properties","CrystEngComm","2014","16","42","9896","","10.1039/C4CE01456A","","","1.54184","CuKα","","0.0249","0.0232","","","0.0584","0.0594","","","","","","1.053","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218059","26.5918","0.0009","13.5595","0.0005","18.1128","0.0006","90","","94.582","0.003","90","","6510.1","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H34 Cd N12 O7 -","- C27 H34 Cd N12 O7 -","- C216 H272 Cd8 N96 O56 -","8","1","","Liang, Guorui; Liu, Yaru; Zhang, Xiao; Yi, Zhihui","Anion-dependent assemblies of a series of Cd(ii) coordination complexes based on an asymmetric multi-dentate ligand and inorganic SBUs: syntheses, crystal structures, and fluorescent properties","CrystEngComm","2014","16","42","9896","","10.1039/C4CE01456A","","","0.71073","MoKα","","0.0688","0.0483","","","0.1063","0.1193","","","","","","1.05","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218060","14.4906","0.0004","13.7504","0.0005","18.9091","0.0007","90","","95.28","0.003","90","","3751.7","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H62 Cu2 Mo8 N16 O26 -","- C60 H62 Cu2 Mo8 N16 O26 -","- C120 H124 Cu4 Mo16 N32 O52 -","2","0.5","","Hao, Xiu-Li; Ma, Yuan-Yuan; Wang, Yong-Hui; Zang, Hong-Ying; Li, Yang-Guang","Isopolymolybdate-induced organic‒inorganic hybrid assemblies with copper ions and bichelate-bridging ligands","CrystEngComm","2014","16","43","10017","","10.1039/C4CE01591F","","","0.71073","MoKα","","0.08","0.0422","","","0.0757","0.0887","","","","","","0.959","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218061","17.359","0.0006","12.5591","0.0004","25.123","0.0007","90","","90","","90","","5477.2","0.3","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C48 H40 Cu2 Mo6 N12 O19 -","- C48 H40 Cu2 Mo6 N12 O19 -","- C192 H160 Cu8 Mo24 N48 O76 -","4","0.5","","Hao, Xiu-Li; Ma, Yuan-Yuan; Wang, Yong-Hui; Zang, Hong-Ying; Li, Yang-Guang","Isopolymolybdate-induced organic‒inorganic hybrid assemblies with copper ions and bichelate-bridging ligands","CrystEngComm","2014","16","43","10017","","10.1039/C4CE01591F","","","0.71073","MoKα","","0.082","0.0438","","","0.0716","0.0861","","","","","","0.987","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218062","10.4332","0.0002","15.1148","0.0003","20.2219","0.0005","90","","109.501","0.002","90","","3005.98","0.12","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H44 Cu2 Mo8 N12 O28 -","- C48 H40 Cu2 Mo8 N12 O26 -","- C96 H80 Cu4 Mo16 N24 O52 -","2","0.5","","Hao, Xiu-Li; Ma, Yuan-Yuan; Wang, Yong-Hui; Zang, Hong-Ying; Li, Yang-Guang","Isopolymolybdate-induced organic‒inorganic hybrid assemblies with copper ions and bichelate-bridging ligands","CrystEngComm","2014","16","43","10017","","10.1039/C4CE01591F","","","0.71073","MoKα","","0.0354","0.0259","","","0.0604","0.0658","","","","","","1.022","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218063","15.307","0.003","21.194","0.004","15.805","0.003","90","","110.53","0.03","90","","4801.8","1.9","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C80 H70 Cu4 Mo8 N24 O29 -","- C80 H64 Cu4 Mo8 N24 O29 -","- C160 H128 Cu8 Mo16 N48 O58 -","2","0.5","","Hao, Xiu-Li; Ma, Yuan-Yuan; Wang, Yong-Hui; Zang, Hong-Ying; Li, Yang-Guang","Isopolymolybdate-induced organic‒inorganic hybrid assemblies with copper ions and bichelate-bridging ligands","CrystEngComm","2014","16","43","10017","","10.1039/C4CE01591F","","","0.71073","MoKα","","0.063","0.0417","","","0.0835","0.091","","","","","","1.02","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218064","14.8527","0.0006","15.7723","0.0005","17.4004","0.0006","72.343","0.003","66.337","0.004","63.668","0.003","3306.9","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C96 H96 Cu4 Mo16 N24 O60 -","- C96 H80 Cu4 Mo16 N24 O60 -","- C96 H80 Cu4 Mo16 N24 O60 -","1","0.5","","Hao, Xiu-Li; Ma, Yuan-Yuan; Wang, Yong-Hui; Zang, Hong-Ying; Li, Yang-Guang","Isopolymolybdate-induced organic‒inorganic hybrid assemblies with copper ions and bichelate-bridging ligands","CrystEngComm","2014","16","43","10017","","10.1039/C4CE01591F","","","0.71073","MoKα","","0.1508","0.0721","","","0.1292","0.1706","","","","","","1.008","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218065","22.82","0.005","14.239","0.003","25.933","0.005","90","","91.55","0.03","90","","8423","3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H62 Cu4 Mo8 N18 O27 -","- C72 H60 Cu4 Mo8 N18 O27 -","- C288 H240 Cu16 Mo32 N72 O108 -","4","0.5","","Hao, Xiu-Li; Ma, Yuan-Yuan; Wang, Yong-Hui; Zang, Hong-Ying; Li, Yang-Guang","Isopolymolybdate-induced organic‒inorganic hybrid assemblies with copper ions and bichelate-bridging ligands","CrystEngComm","2014","16","43","10017","","10.1039/C4CE01591F","","","0.71073","MoKα","","0.131","0.0608","","","0.1101","0.1326","","","","","","1.02","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218066","13.7656","0.0006","14.8306","0.0006","16.0531","0.0005","117.47","0.003","109.431","0.003","91.167","0.003","2682.3","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C96 H80 Cu4 Mo8 N24 O26 -","- C96 H80 Cu4 Mo8 N24 O26 -","- C96 H80 Cu4 Mo8 N24 O26 -","1","0.5","","Hao, Xiu-Li; Ma, Yuan-Yuan; Wang, Yong-Hui; Zang, Hong-Ying; Li, Yang-Guang","Isopolymolybdate-induced organic‒inorganic hybrid assemblies with copper ions and bichelate-bridging ligands","CrystEngComm","2014","16","43","10017","","10.1039/C4CE01591F","","","0.71073","MoKα","","0.1123","0.0586","","","0.1202","0.1471","","","","","","0.957","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218067","12.5946","0.0003","12.5946","0.0003","8.2087","0.0003","90","","90","","120","","1127.65","0.06","120","2","120","2","","","","","","","","5","P 63","P 6c","173","","","","- C3 H7 N O6 Zn -","- C3 H7 N O6 Zn -","- C18 H42 N6 O36 Zn6 -","6","1","","Zhang, Zhiying; Li, Wei; Carpenter, Michael A.; Howard, Christopher J.; Cheetham, Anthony K.","Elastic properties and acoustic dissipation associated with a disorder‒order ferroelectric transition in a metal‒organic framework","CrystEngComm","2015","17","2","370","","10.1039/C4CE01386G","","","0.71073","MoKα","","0.0324","0.0276","","","0.0845","0.0921","","","","","","1.087","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218068","7.309","0.0002","7.309","0.0002","8.1701","0.0003","90","","90","","120","","377.98","0.02","300","2","300","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 N O6 Zn -","- C3 H7 N O6 Zn -","- C6 H14 N2 O12 Zn2 -","2","0.166667","","Zhang, Zhiying; Li, Wei; Carpenter, Michael A.; Howard, Christopher J.; Cheetham, Anthony K.","Elastic properties and acoustic dissipation associated with a disorder‒order ferroelectric transition in a metal‒organic framework","CrystEngComm","2015","17","2","370","","10.1039/C4CE01386G","","","0.71073","MoKα","","0.0183","0.018","","","0.0487","0.0492","","","","","","1.074","","","","has coordinates,has disorder","180511","2020-10-21","18:00:00",""
"7218069","8.6456","0.0016","12.31","0.002","22.758","0.004","98.677","0.002","92.478","0.002","104.114","0.002","2314","0.7","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C56 H58 Br2 -","- C56 H58 Br2 -","- C112 H116 Br4 -","2","1","","Lv, Yun; Liu, Yang; Ye, Xin; Liu, Guangfeng; Tao, Xutang","The effect of mechano-stimuli on the amorphous-to-crystalline transition of mechanochromic luminescent materials","CrystEngComm","2015","17","3","526","","10.1039/C4CE01212G","","","0.71073","MoKα","","0.117","0.0781","","","0.1845","0.2075","","","","","","1.064","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218070","11.1014","0.0009","11.6074","0.0009","17.9752","0.0014","101.916","0.001","105.051","0.001","92.108","0.001","2178.6","0.3","296","2","296","2","","","","","","","","2","P -1","-P 1","2","","","","- C56 H60 -","- C56 H60 -","- C112 H120 -","2","1","","Lv, Yun; Liu, Yang; Ye, Xin; Liu, Guangfeng; Tao, Xutang","The effect of mechano-stimuli on the amorphous-to-crystalline transition of mechanochromic luminescent materials","CrystEngComm","2015","17","3","526","","10.1039/C4CE01212G","","","0.71073","MoKα","","0.05","0.042","","","0.1075","0.1136","","","","","","1.041","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218071","25.721","0.005","5.527","0.005","11.027","0.005","90","0.005","110.517","0.005","90","0.005","1468.2","1.5","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C40 H26 Br2 -","- C40 H26 Br2 -","- C80 H52 Br4 -","2","0.5","","Lv, Yun; Liu, Yang; Ye, Xin; Liu, Guangfeng; Tao, Xutang","The effect of mechano-stimuli on the amorphous-to-crystalline transition of mechanochromic luminescent materials","CrystEngComm","2015","17","3","526","","10.1039/C4CE01212G","","","0.71069","MoKα","","0.0665","0.0531","","","0.1469","0.1589","","","","","","0.829","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218079","16.417","0.002","16.417","0.002","6.598","0.002","90","","90","","90","","1778.3","0.6","298","2","298","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C28 H40 Cu N5 O7 -","- C28 H32 Cu N5 O7 -","- C56 H64 Cu2 N10 O14 -","2","0.25","","Wu, Jian; Liu, Jian-Qiang; Jia, Zhen-Bin; Li, Qing-Lin; Li, Kai-Bang; Li, Hao; Daiguebonne, Carole; Calvez, Guillaume; Guillou, Olivier","A new 3D four-fold interpenetrateddia-like polymer: gas sorption and computational analyses","CrystEngComm","2014","16","45","10410","","10.1039/C4CE01404A","","","0.71073","MoKα","","0.1116","0.0482","","","0.0823","0.0987","","","","","","1.008","","","","has coordinates,has disorder","180511","2020-10-21","18:00:00",""
"7218088","9.0885","0.0019","10.008","0.002","10.316","0.002","84.68","0.003","83.399","0.003","66.85","0.003","855.9","0.3","123","2","123","2","","","","","","","","5","P 1","P 1","1","","","","- C33 H38 Ag N5 O7 -","- C33 H38 Ag N5 O7 -","- C33 H38 Ag N5 O7 -","1","1","","Cheng, Lin; Wang, Jun; Qi, Qi; Zhang, Xiuying; Yu, Haiyan; Gou, Shaohua; Fang, Lei","Temperature-induced one-dimensional chiral Ag(i) linear chains and left-handed 21helices: DFT studies, luminescence and SHG response","CrystEngComm","2014","16","43","10056","","10.1039/C4CE01601G","","","0.71073","MoKα","","0.0923","0.0841","","","0.1743","0.1811","","","","","","1.061","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218089","10.9284","0.0012","13.1429","0.0014","23.209","0.002","90","","90","","90","","3333.5","0.6","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H38 Ag N5 O8 -","- C32 H38 Ag N5 O8 -","- C128 H152 Ag4 N20 O32 -","4","1","","Cheng, Lin; Wang, Jun; Qi, Qi; Zhang, Xiuying; Yu, Haiyan; Gou, Shaohua; Fang, Lei","Temperature-induced one-dimensional chiral Ag(i) linear chains and left-handed 21helices: DFT studies, luminescence and SHG response","CrystEngComm","2014","16","43","10056","","10.1039/C4CE01601G","","","0.71073","MoKα","","0.096","0.0594","","","0.1467","0.1686","","","","","","1.073","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218090","9.1852","0.0015","10.2742","0.0017","10.3527","0.0017","84.69","0.002","83.518","0.002","65.526","0.002","882.4","0.3","123","2","123","2","","","","","","","","6","P 1","P 1","1","","","","- C33 H38 Ag Cl N4 O8 -","- C33 H38 Ag Cl N4 O8 -","- C33 H38 Ag Cl N4 O8 -","1","1","","Cheng, Lin; Wang, Jun; Qi, Qi; Zhang, Xiuying; Yu, Haiyan; Gou, Shaohua; Fang, Lei","Temperature-induced one-dimensional chiral Ag(i) linear chains and left-handed 21helices: DFT studies, luminescence and SHG response","CrystEngComm","2014","16","43","10056","","10.1039/C4CE01601G","","","0.71073","MoKα","","0.0864","0.0748","","","0.1597","0.1666","","","","","","1.051","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218091","10.9131","0.0016","13.0435","0.0019","22.908","0.004","90","","90","","90","","3260.8","0.9","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H38 Ag Cl N4 O9 -","- C32 H38 Ag Cl N4 O9 -","- C128 H152 Ag4 Cl4 N16 O36 -","4","1","","Cheng, Lin; Wang, Jun; Qi, Qi; Zhang, Xiuying; Yu, Haiyan; Gou, Shaohua; Fang, Lei","Temperature-induced one-dimensional chiral Ag(i) linear chains and left-handed 21helices: DFT studies, luminescence and SHG response","CrystEngComm","2014","16","43","10056","","10.1039/C4CE01601G","","","0.71073","MoKα","","0.0984","0.0748","","","0.156","0.1693","","","","","","1.025","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218092","13.6251","0.0014","14.7386","0.0015","16.4916","0.0017","90","","95.699","0.002","90","","3295.4","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H52 Cu2 Mo8 N12 O32 -","- C48 H46 Cu2 Mo8 N12 O32 -","- C96 H92 Cu4 Mo16 N24 O64 -","2","0.5","","Tripuramallu, Bharat Kumar; Manna, Paulami; Das, Samar K.","Supramolecular interactions mediated conformational modulation of flexible linker leading to the isolation of a metallo-macrocycle in a polyoxometalate matrix: Hirshfeld surfaces and 2D fingerprint plots","CrystEngComm","2014","16","44","10300","","10.1039/C4CE01714E","","","0.71073","MoKα","","0.0914","0.0663","","","0.1372","0.1472","","","","","","1.099","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218093","21.8268","0.0005","3.9863","0.0001","7.1628","0.0002","90","","90","","90","","623.22","0.03","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C2 H Ag N2 O Pb S -","- C2 H Ag N2 O Pb S -","- C8 H4 Ag4 N8 O4 Pb4 S4 -","4","0.5","","Diana, Eliano; Gervasio, Giuliana; Priola, Emanuele; Bonometti, Elisabetta","A new heterometallic multiligand 3D coordination polymer: synthesis and structure of [Pb(OH)]n[Ag(SCN)(CN)]n","CrystEngComm","2014","16","43","10040","","10.1039/C4CE01424C","","","0.71073","MoKα","","0.0302","0.0245","","","0.0578","0.0608","","","","","","1.092","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218094","8.23","0.0002","11.8142","0.0003","17.1253","0.0003","90","","90","","90","","1665.11","0.07","233","2","233","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H12 Br2 O2 -","- C20 H12 Br2 O2 -","- C80 H48 Br8 O8 -","4","1","","Agnes, Marco; Sorrenti, Alessandro; Pasini, Dario; Wurst, Klaus; Amabilino, David B.","Crystal structure analyses facilitate understanding of synthesis protocols in the preparation of 6,6′-dibromo-substituted BINOL compounds","CrystEngComm","2014","16","43","10131","","10.1039/C4CE01160K","","","0.71073","MoKα","","0.0342","0.0288","","","0.0676","0.0699","","","","","","1.047","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218095","9.0274","0.0002","20.4427","0.0004","14.5383","0.0003","90","","99.274","0.001","90","","2647.89","0.1","233","2","233","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H28 Br2 O6 -","- C28 H28 Br2 O6 -","- C112 H112 Br8 O24 -","4","2","","Agnes, Marco; Sorrenti, Alessandro; Pasini, Dario; Wurst, Klaus; Amabilino, David B.","Crystal structure analyses facilitate understanding of synthesis protocols in the preparation of 6,6′-dibromo-substituted BINOL compounds","CrystEngComm","2014","16","43","10131","","10.1039/C4CE01160K","","","0.71073","MoKα","","0.056","0.042","","","0.0962","0.1021","","","","","","1.028","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218096","9.9622","0.0003","8.3317","0.0002","19.9628","0.0005","90","","98.208","0.001","90","","1639.98","0.08","233","2","233","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H12 Br2 O2 -","- C20 H12 Br2 O2 -","- C80 H48 Br8 O8 -","4","1","","Agnes, Marco; Sorrenti, Alessandro; Pasini, Dario; Wurst, Klaus; Amabilino, David B.","Crystal structure analyses facilitate understanding of synthesis protocols in the preparation of 6,6′-dibromo-substituted BINOL compounds","CrystEngComm","2014","16","43","10131","","10.1039/C4CE01160K","","","0.71073","MoKα","","0.0389","0.0304","","","0.0724","0.0758","","","","","","1.042","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218097","9.8523","0.0003","10.1793","0.0003","13.922","0.0003","70.723","0.002","89.926","0.002","82.549","0.002","1305.53","0.06","233","2","233","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H28 Br2 O6 -","- C28 H28 Br2 O6 -","- C56 H56 Br4 O12 -","2","1","","Agnes, Marco; Sorrenti, Alessandro; Pasini, Dario; Wurst, Klaus; Amabilino, David B.","Crystal structure analyses facilitate understanding of synthesis protocols in the preparation of 6,6′-dibromo-substituted BINOL compounds","CrystEngComm","2014","16","43","10131","","10.1039/C4CE01160K","","","0.71073","MoKα","","0.0499","0.0357","","","0.0804","0.0851","","","","","","1.062","","","","has coordinates,has disorder","180511","2020-10-21","18:00:00",""
"7218098","8.8364","0.0002","10.5814","0.0003","14.7993","0.0003","108.781","0.001","94.787","0.001","97.419","0.001","1287.54","0.05","233","2","233","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H24 Br2 O6 -","- C28 H24 Br2 O6 -","- C56 H48 Br4 O12 -","2","1","","Agnes, Marco; Sorrenti, Alessandro; Pasini, Dario; Wurst, Klaus; Amabilino, David B.","Crystal structure analyses facilitate understanding of synthesis protocols in the preparation of 6,6′-dibromo-substituted BINOL compounds","CrystEngComm","2014","16","43","10131","","10.1039/C4CE01160K","","","0.71073","MoKα","","0.0514","0.0359","","","0.0815","0.0872","","","","","","1.039","","","","has coordinates,has disorder","180511","2020-10-21","18:00:00",""
"7218117","9.3677","0.0015","11.2409","0.0017","14.585","0.002","72.567","0.002","73.543","0.002","78.799","0.002","1395.2","0.4","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H36 N2 O2 S2 -","- C32 H36 N2 O2 S2 -","- C64 H72 N4 O4 S4 -","2","1","","Ueji, Kan; Ichimura, Shuhei; Tamaki, Yoshinori; Miyamura, Kazuo","Effects of alkyl chain substitution on the crystal structure of benzothiazole-derived squarylium dyes","CrystEngComm","2014","16","43","10139","","10.1039/C4CE01571A","","","0.71073","MoKα","","0.0873","0.0495","","","0.1026","0.1186","","","","","","0.803","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218118","9.366","0.003","14.783","0.005","15.276","0.005","113.609","0.005","100.615","0.006","92.18","0.005","1890.1","1.1","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H56 N2 O2 S2 -","- C42 H56 N2 O2 S2 -","- C84 H112 N4 O4 S4 -","2","1","","Ueji, Kan; Ichimura, Shuhei; Tamaki, Yoshinori; Miyamura, Kazuo","Effects of alkyl chain substitution on the crystal structure of benzothiazole-derived squarylium dyes","CrystEngComm","2014","16","43","10139","","10.1039/C4CE01571A","","","0.71073","MoKα","","0.1171","0.0583","","","0.0987","0.1192","","","","","","0.867","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218119","10.636","0.003","9.486","0.003","15.273","0.004","90","","104.878","0.005","90","","1489.3","0.7","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H40 N2 O2 S2 -","- C34 H40 N2 O2 S2 -","- C68 H80 N4 O4 S4 -","2","0.5","","Ueji, Kan; Ichimura, Shuhei; Tamaki, Yoshinori; Miyamura, Kazuo","Effects of alkyl chain substitution on the crystal structure of benzothiazole-derived squarylium dyes","CrystEngComm","2014","16","43","10139","","10.1039/C4CE01571A","","","0.71073","MoKα","","0.1477","0.051","","","0.0614","0.0805","","","","","","0.705","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218120","11.1","0.0014","9.2665","0.0011","16.096","0.002","90","","108.132","0.002","90","","1573.4","0.3","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 N2 O2 S2 -","- C36 H44 N2 O2 S2 -","- C72 H88 N4 O4 S4 -","2","0.5","","Ueji, Kan; Ichimura, Shuhei; Tamaki, Yoshinori; Miyamura, Kazuo","Effects of alkyl chain substitution on the crystal structure of benzothiazole-derived squarylium dyes","CrystEngComm","2014","16","43","10139","","10.1039/C4CE01571A","","","0.71073","MoKα","","0.0563","0.0404","","","0.0832","0.0892","","","","","","0.956","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218121","9.3276","0.0014","13.142","0.0019","15.226","0.002","108.135","0.003","100.865","0.003","98.281","0.002","1700.4","0.4","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H48 N2 O2 S2 -","- C38 H48 N2 O2 S2 -","- C76 H96 N4 O4 S4 -","2","1","","Ueji, Kan; Ichimura, Shuhei; Tamaki, Yoshinori; Miyamura, Kazuo","Effects of alkyl chain substitution on the crystal structure of benzothiazole-derived squarylium dyes","CrystEngComm","2014","16","43","10139","","10.1039/C4CE01571A","","","0.71073","MoKα","","0.1371","0.0515","","","0.0827","0.1129","","","","","","0.69","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218122","9.3051","0.0006","14.0599","0.0009","14.9553","0.0009","80.646","0.001","75.132","0.001","72.905","0.001","1799.5","0.2","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H52 N2 O2 S2 -","- C40 H52 N2 O2 S2 -","- C80 H104 N4 O4 S4 -","2","1","","Ueji, Kan; Ichimura, Shuhei; Tamaki, Yoshinori; Miyamura, Kazuo","Effects of alkyl chain substitution on the crystal structure of benzothiazole-derived squarylium dyes","CrystEngComm","2014","16","43","10139","","10.1039/C4CE01571A","","","0.71073","MoKα","","0.0779","0.0534","","","0.1254","0.1424","","","","","","0.982","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218123","7.8143","0.0005","9.4382","0.0006","15.2024","0.001","77.742","0.001","76.215","0.001","66.063","0.001","986.79","0.11","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H60 N2 O2 S2 -","- C44 H60 N2 O2 S2 -","- C44 H60 N2 O2 S2 -","1","0.5","","Ueji, Kan; Ichimura, Shuhei; Tamaki, Yoshinori; Miyamura, Kazuo","Effects of alkyl chain substitution on the crystal structure of benzothiazole-derived squarylium dyes","CrystEngComm","2014","16","43","10139","","10.1039/C4CE01571A","","","0.71073","MoKα","","0.0711","0.0448","","","0.0899","0.1209","","","","","","0.916","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218124","7.7725","0.0007","9.4508","0.0009","16.2932","0.0016","90.218","0.002","97.616","0.002","113.987","0.002","1081.63","0.18","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H68 N2 O2 S2 -","- C48 H68 N2 O2 S2 -","- C48 H68 N2 O2 S2 -","1","0.5","","Ueji, Kan; Ichimura, Shuhei; Tamaki, Yoshinori; Miyamura, Kazuo","Effects of alkyl chain substitution on the crystal structure of benzothiazole-derived squarylium dyes","CrystEngComm","2014","16","43","10139","","10.1039/C4CE01571A","","","0.71073","MoKα","","0.068","0.0476","","","0.1011","0.1255","","","","","","1.021","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218125","7.772","0.002","9.476","0.003","17.514","0.005","89.954","0.005","89.316","0.006","66.055","0.006","1178.8","0.6","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C52 H76 N2 O2 S2 -","- C52 H76 N2 O2 S2 -","- C52 H76 N2 O2 S2 -","1","0.5","","Ueji, Kan; Ichimura, Shuhei; Tamaki, Yoshinori; Miyamura, Kazuo","Effects of alkyl chain substitution on the crystal structure of benzothiazole-derived squarylium dyes","CrystEngComm","2014","16","43","10139","","10.1039/C4CE01571A","","","0.71073","MoKα","","0.2059","0.0801","","","0.1493","0.2262","","","","","","0.861","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218126","7.7947","0.001","9.4518","0.0012","18.843","0.003","90.701","0.002","94.869","0.003","113.934","0.002","1262.6","0.3","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C56 H84 N2 O2 S2 -","- C56 H84 N2 O2 S2 -","- C56 H84 N2 O2 S2 -","1","0.5","","Ueji, Kan; Ichimura, Shuhei; Tamaki, Yoshinori; Miyamura, Kazuo","Effects of alkyl chain substitution on the crystal structure of benzothiazole-derived squarylium dyes","CrystEngComm","2014","16","43","10139","","10.1039/C4CE01571A","","","0.71073","MoKα","","0.126","0.0491","","","0.0907","0.1467","","","","","","0.749","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218127","11.4551","0.0001","4.95346","0.00005","18.1676","0.0002","90","","90","","90","","1030.87","0.018","303","","303","","","","","","","","","4","P b c a","-P 2ac 2ab","61","BiGeO2(OH)2(NO3)","bisnuth germanium oxyhydroxy nitrate","","- Bi Ge N O7 -","- Bi Ge H N O7 -","- Bi8 Ge8 H8 N8 O56 -","8","1","","Kobayashi, Kiyoshi; Ikeda, Takuji; Hiyoshi, Norihito; Sakka, Yoshio","Discovery of a new crystalline phase: BiGeO2(OH)2(NO3)","CrystEngComm","2014","16","43","10080","","10.1039/C4CE01355G","powder diffraction","","1.54059","CuKα~1~","","0.00813","","","","","","0.00768","0.01331","1.9828","","","","","","","has coordinates","190823","2020-10-21","18:00:00",""
"7218128","9.4633","0.0004","12.6496","0.0004","10.8834","0.0004","90","","104.267","0.004","90","","1262.64","0.08","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","p-xylylenebis(thioacetic) acid","","- C12 H14 O4 S2 -","- C12 H14 O4 S2 -","- C48 H56 O16 S8 -","4","0.5","","Ostasz, A.; Łyszczek, R.; Mazur, L.; Tarasiuk, B.","Co-crystal formation between 2-amino-4,6-dimethylpyrimidine and new p-xylylene-bis(thioacetic) acid","CrystEngComm","2014","16","44","10262","","10.1039/C4CE01567C","","","0.71073","MoKα","","0.0341","0.032","","","0.0817","0.0841","","","","","","1.153","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218129","17.6366","0.0018","4.8355","0.0005","15.593","0.0017","90","","96.069","0.01","90","","1322.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H32 N6 O4 S2 -","- C24 H32 N6 O4 S2 -","- C48 H64 N12 O8 S4 -","2","0.5","","Ostasz, A.; Łyszczek, R.; Mazur, L.; Tarasiuk, B.","Co-crystal formation between 2-amino-4,6-dimethylpyrimidine and new p-xylylene-bis(thioacetic) acid","CrystEngComm","2014","16","44","10262","","10.1039/C4CE01567C","","","0.71073","MoKα","","0.0721","0.0579","","","0.1489","0.1565","","","","","","1.041","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218130","20.968","0.003","4.7107","0.0005","14.4013","0.0016","90","","95.307","0.01","90","","1416.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 N6 O6 S2 -","- C24 H36 N6 O6 S2 -","- C48 H72 N12 O12 S4 -","2","0.5","","Ostasz, A.; Łyszczek, R.; Mazur, L.; Tarasiuk, B.","Co-crystal formation between 2-amino-4,6-dimethylpyrimidine and new p-xylylene-bis(thioacetic) acid","CrystEngComm","2014","16","44","10262","","10.1039/C4CE01567C","","","0.71073","MoKα","","0.0989","0.0651","","","0.1371","0.1534","","","","","","1.105","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218131","32.932","0.007","7.9668","0.0016","15.275","0.003","90","","90","","90","","4007.6","1.4","100","2","100","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C18 H23 N3 O4 S2 -","- C18 H23 N3 O4 S2 -","- C144 H184 N24 O32 S16 -","8","","","Ostasz, A.; Łyszczek, R.; Mazur, L.; Tarasiuk, B.","Co-crystal formation between 2-amino-4,6-dimethylpyrimidine and new p-xylylene-bis(thioacetic) acid","CrystEngComm","2014","16","44","10262","","10.1039/C4CE01567C","","","0.71073","MoKα","","0.0576","0.0351","","","0.0758","0.0806","","","","","","0.903","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218133","5.5044","0.0007","10.0817","0.0008","10.2203","0.0013","90","","93.142","0.01","90","","566.31","0.11","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N,N,N-hydroxydimethylglycine","2-(hydroxydimethylammonio)acetate","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.","Oxidative stress of H2O2on N,N-dimethylglycine: formation of perhydrate crystals and more","CrystEngComm","2014","16","44","10165","","10.1039/C4CE01835D","","","0.71073","MoKα","","0.0549","0.0376","","","0.0971","0.1025","","","","","","1.032","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218134","10.3838","0.0005","5.7184","0.0003","11.4118","0.0007","90","","90","","90","","677.62","0.06","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","N,N-dimethylglycine","2-(Dimethylamino)acetate perhydrate","","- C4 H11 N O4 -","- C4 H11 N O4 -","- C16 H44 N4 O16 -","4","1","","Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.","Oxidative stress of H2O2on N,N-dimethylglycine: formation of perhydrate crystals and more","CrystEngComm","2014","16","44","10165","","10.1039/C4CE01835D","","","0.71073","MoKα","","0.0671","0.0415","","","0.0806","0.0915","","","","","","1.058","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218135","12.332","0.0004","9.9903","0.0003","5.80218","0.00016","90","","90","","90","","714.83","0.04","298","2","298","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","N,N,N-hydroxydimethylglycine","2-(hydroxydimethylammonio)acetate perhydrate","","- C4 H11 N O5 -","- C4 H11 N O5 -","- C16 H44 N4 O20 -","4","1","","Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.","Oxidative stress of H2O2on N,N-dimethylglycine: formation of perhydrate crystals and more","CrystEngComm","2014","16","44","10165","","10.1039/C4CE01835D","","","0.71073","MoKα","","0.0343","0.0308","","","0.0777","0.08","","","","","","1.043","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218148","7.7677","0.0011","13.5311","0.0018","7.9843","0.0011","90","","106.432","0.006","90","","804.92","0.19","150.15","","150.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","hexafluoronaphthalene","","- C10 H2 F6 -","- C10 H2 F6 -","- C40 H8 F24 -","4","1","","Loader, Jason R.; Libri, Stefano; Meijer, Anthony J. H. M.; Perutz, Robin N.; Brammer, Lee","Highly fluorinated naphthalenes and bifurcated C‒H⋯F‒C hydrogen bonding","CrystEngComm","2014","16","41","9711","","10.1039/C4CE01322K","","","0.71073","MoKα","","0.0686","0.0403","","","0.107","0.1294","","","","","","1.042","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218149","8.5748","0.0017","3.6622","0.0007","12.423","0.003","90","","93.08","0.03","90","","389.55","0.14","100.15","","100.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","pentafluoronaphthalene","","- C10 H3 F5 -","- C10 H3 F5 -","- C20 H6 F10 -","2","0.5","","Loader, Jason R.; Libri, Stefano; Meijer, Anthony J. H. M.; Perutz, Robin N.; Brammer, Lee","Highly fluorinated naphthalenes and bifurcated C‒H⋯F‒C hydrogen bonding","CrystEngComm","2014","16","41","9711","","10.1039/C4CE01322K","","","0.71073","MoKα","","0.0967","0.082","","","0.2151","0.2234","","","","","","1.102","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218156","11.4883","0.0006","9.6632","0.0005","16.1106","0.0008","90","","101.252","0.002","90","","1754.12","0.16","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H30 Cl2 N6 O10 S2 -","- C34 H30 Cl2 N6 O10 S2 -","- C68 H60 Cl4 N12 O20 S4 -","2","0.5","","Srirambhatla, Vijay K.; Kraft, Arno; Watt, Stephen; Powell, Anthony V.","A robust two-dimensional hydrogen-bonded network for the predictable assembly of ternary co-crystals of furosemide","CrystEngComm","2014","16","43","9979","","10.1039/C4CE01692K","","","0.71073","MoKα","","0.0818","0.0427","","0.1082","0.0465","0.0465","","","","","","1.0761","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218157","9.7483","0.0004","10.4805","0.0004","14.1432","0.0005","96.253","0.002","93.883","0.002","114.448","0.002","1297.39","0.09","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H25 Cl N4 O6 S2 -","- C24 H25 Cl N4 O6 S2 -","- C48 H50 Cl2 N8 O12 S4 -","2","1","","Srirambhatla, Vijay K.; Kraft, Arno; Watt, Stephen; Powell, Anthony V.","A robust two-dimensional hydrogen-bonded network for the predictable assembly of ternary co-crystals of furosemide","CrystEngComm","2014","16","43","9979","","10.1039/C4CE01692K","","","0.71073","MoKα","","0.0651","0.0446","","0.0753","0.0452","0.0452","","","","","","1.1186","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218158","7.3552","0.0009","9.3457","0.0011","18.124","0.002","80.525","0.006","82.376","0.006","75.758","0.006","1185.5","0.2","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H23 Cl N4 O6 S -","- C23 H23 Cl N4 O6 S -","- C46 H46 Cl2 N8 O12 S2 -","2","1","","Srirambhatla, Vijay K.; Kraft, Arno; Watt, Stephen; Powell, Anthony V.","A robust two-dimensional hydrogen-bonded network for the predictable assembly of ternary co-crystals of furosemide","CrystEngComm","2014","16","43","9979","","10.1039/C4CE01692K","","","0.71073","MoKα","","0.0604","0.0417","","0.0601","0.0447","0.0447","","","","","","1.0771","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218159","6.751","0.0005","9.5719","0.0006","18.6178","0.0013","84.977","0.004","89.783","0.004","73.488","0.004","1148.76","0.14","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H22 Cl N4 O6 S -","- C23 H22 Cl N4 O6 S -","- C46 H44 Cl2 N8 O12 S2 -","2","1","","Srirambhatla, Vijay K.; Kraft, Arno; Watt, Stephen; Powell, Anthony V.","A robust two-dimensional hydrogen-bonded network for the predictable assembly of ternary co-crystals of furosemide","CrystEngComm","2014","16","43","9979","","10.1039/C4CE01692K","","","0.71073","MoKα","","0.0882","0.0673","","0.0913","0.064","0.064","","","","","","0.9645","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218160","7.3972","0.0007","9.3373","0.0008","18.1141","0.0016","80.504","0.004","82.039","0.004","75.173","0.004","1186.81","0.19","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H24 Cl N4 O6 S -","- C24 H24 Cl N4 O6 S -","- C48 H48 Cl2 N8 O12 S2 -","2","1","","Srirambhatla, Vijay K.; Kraft, Arno; Watt, Stephen; Powell, Anthony V.","A robust two-dimensional hydrogen-bonded network for the predictable assembly of ternary co-crystals of furosemide","CrystEngComm","2014","16","43","9979","","10.1039/C4CE01692K","","","0.71073","MoKα","","0.06","0.0454","","0.0684","0.0482","0.0423","","","","","","1.0302","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218161","6.9302","0.0004","9.9356","0.0006","18.6298","0.0011","83.633","0.003","89.624","0.003","72.794","0.003","1217.34","0.13","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C25 H22 Cl N4 O6 S -","- C25 H22 Cl N4 O6 S -","- C50 H44 Cl2 N8 O12 S2 -","2","1","","Srirambhatla, Vijay K.; Kraft, Arno; Watt, Stephen; Powell, Anthony V.","A robust two-dimensional hydrogen-bonded network for the predictable assembly of ternary co-crystals of furosemide","CrystEngComm","2014","16","43","9979","","10.1039/C4CE01692K","","","0.71073","MoKα","","0.0543","0.0436","","0.0477","0.0366","0.0366","","","","","","1.0981","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218162","6.3978","0.0004","21.3089","0.0014","13.6408","0.001","90","","98.903","0.002","90","","1837.2","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H33 Cd N5 O10 S -","- C36 H31 Cd N5 O10 S -","- C72 H62 Cd2 N10 O20 S2 -","2","1","","Guo, Huadong; Yan, Yongnian; Guo, Xianmin; Zou, Hengye; Qi, Yanjuan; Liu, Chunming","Syntheses, characterization and luminescence properties of five entangled coordination polymers based on bis(4-imidazolphenoxy)methane and various dicarboxylic acids","CrystEngComm","2014","16","44","10245","","10.1039/C4CE01390E","","","0.71073","MoKα","","0.0579","0.0436","","","0.1035","0.119","","","","","","1.033","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218163","12.9722","0.0007","17.3507","0.001","14.0501","0.0008","90","","110.423","0.001","90","","2963.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H54 Cd2 N10 O14 -","- C60 H54 Cd2 N10 O14 -","- C120 H108 Cd4 N20 O28 -","2","0.5","","Guo, Huadong; Yan, Yongnian; Guo, Xianmin; Zou, Hengye; Qi, Yanjuan; Liu, Chunming","Syntheses, characterization and luminescence properties of five entangled coordination polymers based on bis(4-imidazolphenoxy)methane and various dicarboxylic acids","CrystEngComm","2014","16","44","10245","","10.1039/C4CE01390E","","","0.71073","MoKα","","0.0476","0.0329","","","0.09","0.1086","","","","","","1.065","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218164","10.1545","0.0006","11.6885","0.0007","12.5788","0.0007","83.2","0.001","88.499","0.001","69.273","0.001","1386.34","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H48 Cd2 N8 O14 -","- C62 H44 Cd2 N8 O14 -","- C62 H44 Cd2 N8 O14 -","1","0.5","","Guo, Huadong; Yan, Yongnian; Guo, Xianmin; Zou, Hengye; Qi, Yanjuan; Liu, Chunming","Syntheses, characterization and luminescence properties of five entangled coordination polymers based on bis(4-imidazolphenoxy)methane and various dicarboxylic acids","CrystEngComm","2014","16","44","10245","","10.1039/C4CE01390E","","","0.71073","MoKα","","0.0412","0.0346","","","0.0957","0.1078","","","","","","1.112","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218165","14.6526","0.0012","10.0981","0.0009","16.1913","0.0013","90","","90","","90","","2395.7","0.3","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C27 H20 Cd N4 O6 -","- C27 H20 Cd N4 O6 -","- C108 H80 Cd4 N16 O24 -","4","1","","Guo, Huadong; Yan, Yongnian; Guo, Xianmin; Zou, Hengye; Qi, Yanjuan; Liu, Chunming","Syntheses, characterization and luminescence properties of five entangled coordination polymers based on bis(4-imidazolphenoxy)methane and various dicarboxylic acids","CrystEngComm","2014","16","44","10245","","10.1039/C4CE01390E","","","0.71073","MoKα","","0.0611","0.0365","","","0.0618","0.0691","","","","","","1.01","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218166","11.6078","0.0014","12.295","0.0014","20.705","0.002","90","","101.496","0.002","90","","2895.7","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C66 H48 Cd2 N8 O12 -","- C66 H48 Cd2 N8 O12 -","- C132 H96 Cd4 N16 O24 -","2","0.5","","Guo, Huadong; Yan, Yongnian; Guo, Xianmin; Zou, Hengye; Qi, Yanjuan; Liu, Chunming","Syntheses, characterization and luminescence properties of five entangled coordination polymers based on bis(4-imidazolphenoxy)methane and various dicarboxylic acids","CrystEngComm","2014","16","44","10245","","10.1039/C4CE01390E","","","0.71073","MoKα","","0.0631","0.0367","","","0.0896","0.1147","","","","","","1.104","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218167","12.0856","0.0013","13.6274","0.0015","11.4059","0.0013","90","","91.489","0.002","90","","1877.9","0.4","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H38 N4 O6 P2 Pt -","- C40 H38 N4 O6 P2 Pt -","- C80 H76 N8 O12 P4 Pt2 -","2","0.5","","Zubatyuk, Roman I.; Sinelshchikova, Anna A.; Enakieva, Yulia Y.; Gorbunova, Yulia G.; Tsivadze, Aslan Y.; Nefedov, Sergey E.; Bessmertnykh-Lemeune, Alla; Guilard, Roger; Shishkin, Oleg V.","Insights into the crystal packing of phosphorylporphyrins based on the topology of their intermolecular interaction energies","CrystEngComm","2014","16","45","10428","","10.1039/C4CE01623H","","","0.71073","MoKα","","0.0366","0.0225","","","0.0576","0.0645","","","","","","1.026","","","","has coordinates,has disorder","180512","2020-10-21","18:00:00",""
"7218168","13.151","0.005","13.187","0.005","13.28","0.005","91.426","0.006","110.824","0.005","107.172","0.005","2034.8","1.3","150","2","150.15","","","","","","","","","6","P -1","-P 1","2","","","","- C86 H90 N8 Ni2 O12 P4 -","- C86 H90 N8 Ni2 O12 P4 -","- C86 H90 N8 Ni2 O12 P4 -","1","0.5","","Zubatyuk, Roman I.; Sinelshchikova, Anna A.; Enakieva, Yulia Y.; Gorbunova, Yulia G.; Tsivadze, Aslan Y.; Nefedov, Sergey E.; Bessmertnykh-Lemeune, Alla; Guilard, Roger; Shishkin, Oleg V.","Insights into the crystal packing of phosphorylporphyrins based on the topology of their intermolecular interaction energies","CrystEngComm","2014","16","45","10428","","10.1039/C4CE01623H","","","0.71073","MoKα","","0.1268","0.0806","","","0.227","0.246","","","","","","1.075","","","","has coordinates,has disorder","180512","2020-10-21","18:00:00",""
"7218169","16.128","0.004","18.158","0.005","13.503","0.003","90","","113.57","0.003","90","","3624.5","1.6","296","2","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H38 N4 O6 P2 Pd -","- C40 H38 N4 O6 P2 Pd -","- C160 H152 N16 O24 P8 Pd4 -","4","0.5","","Zubatyuk, Roman I.; Sinelshchikova, Anna A.; Enakieva, Yulia Y.; Gorbunova, Yulia G.; Tsivadze, Aslan Y.; Nefedov, Sergey E.; Bessmertnykh-Lemeune, Alla; Guilard, Roger; Shishkin, Oleg V.","Insights into the crystal packing of phosphorylporphyrins based on the topology of their intermolecular interaction energies","CrystEngComm","2014","16","45","10428","","10.1039/C4CE01623H","","","0.71073","MoKα","","0.0932","0.0442","","","0.0793","0.094","","","","","","0.979","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218170","12.4567","0.0016","11.7829","0.0015","12.1147","0.0016","90","","91.889","0.002","90","","1777.2","0.4","153","2","153.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H38 Cd N4 O6 P2 -","- C40 H38 Cd N4 O6 P2 -","- C80 H76 Cd2 N8 O12 P4 -","2","0.5","","Zubatyuk, Roman I.; Sinelshchikova, Anna A.; Enakieva, Yulia Y.; Gorbunova, Yulia G.; Tsivadze, Aslan Y.; Nefedov, Sergey E.; Bessmertnykh-Lemeune, Alla; Guilard, Roger; Shishkin, Oleg V.","Insights into the crystal packing of phosphorylporphyrins based on the topology of their intermolecular interaction energies","CrystEngComm","2014","16","45","10428","","10.1039/C4CE01623H","","","0.71073","MoKα","","0.0461","0.0333","","","0.0768","0.0827","","","","","","0.967","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218177","10.4858","0.0003","18.8309","0.0006","4.813","0.0002","90","","90","","90","","950.36","0.06","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C9 H6 N4 O2 Zn -","- C9 H6 N4 O2 Zn -","- C36 H24 N16 O8 Zn4 -","4","1","","Calahorro, Antonio J.; Macchi, Piero; Salinas-Castillo, Alfonso; Sebastián, Eider San; Seco, José M.; Rodríguez-Diéguez, Antonio","Photoluminescence of the first examples of metal‒organic frameworks with two novel tetrazolatephenyl acetic acid derivatives: an experimental and theoretical study","CrystEngComm","2014","16","45","10492","","10.1039/C4CE00662C","","","0.71069","MoKα","","0.0386","0.0319","","","0.0731","0.0784","","","","","","1.08","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218178","18.5081","0.0005","4.823","0.0001","10.9635","0.0004","90","","90","","90","","978.65","0.05","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C9 H6 N4 O2 Zn -","- C9 H6 N4 O2 Zn -","- C36 H24 N16 O8 Zn4 -","4","1","","Calahorro, Antonio J.; Macchi, Piero; Salinas-Castillo, Alfonso; Sebastián, Eider San; Seco, José M.; Rodríguez-Diéguez, Antonio","Photoluminescence of the first examples of metal‒organic frameworks with two novel tetrazolatephenyl acetic acid derivatives: an experimental and theoretical study","CrystEngComm","2014","16","45","10492","","10.1039/C4CE00662C","","","0.71069","MoKα","","0.0536","0.0347","","","0.058","0.0677","","","","","","1.049","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218179","8.093","0.005","9.502","0.005","12.751","0.005","82.472","0.005","82.927","0.005","86.586","0.005","963.8","0.9","295","","295","","","","","","","","","7","P -1","-P 1","2","","Tetrafluoro-1,4-diiodobenzene bis(N-(4-acetophenyl)-2-oxy-1-naphthaldiminato)-copper(ii)","","- C44 H28 Cu F4 I2 N2 O4 -","- C44 H28 Cu F4 I2 N2 O4 -","- C44 H28 Cu F4 I2 N2 O4 -","1","0.5","","Cinčić, Dominik; Friščić, Tomislav","Synthesis of an extended halogen-bonded metal‒organic structure in a one-pot mechanochemical reaction that combines covalent bonding, coordination chemistry and supramolecular synthesis","CrystEngComm","2014","16","44","10169","","10.1039/C4CE01815J","","","0.71073","MoKα","","0.058","0.0363","","","0.0879","0.0938","","","","","","0.985","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218180","14.052","0.003","10.029","0.003","18.994","0.005","90","","101.069","0.003","90","","2627","1.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","3","","","- C24 H24 Br2 F5 N5 O3 -","- C24 H24 Br2 F5 N5 O3 -","- C96 H96 Br8 F20 N20 O12 -","4","1","","Bushuyev, Oleksandr S.; Tan, Davin; Barrett, Christopher J.; Friščić, Tomislav","Fluorinated azobenzenes with highly strained geometries for halogen bond-driven self-assembly in the solid state","CrystEngComm","2015","17","1","73","","10.1039/C4CE01216J","","","0.71073","MoKα","","0.1993","0.0693","","","0.148","0.1801","","","","","","0.925","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218181","19.4138","0.0015","17.3697","0.0014","10.4512","0.0008","90","","90","","90","","3524.3","0.5","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","4:morpholine 1/1 solvate","","","- C32 H41 Br2 F4 N7 O5 -","- C32 H41 Br2 F4 N7 O5 -","- C128 H164 Br8 F16 N28 O20 -","4","1","","Bushuyev, Oleksandr S.; Tan, Davin; Barrett, Christopher J.; Friščić, Tomislav","Fluorinated azobenzenes with highly strained geometries for halogen bond-driven self-assembly in the solid state","CrystEngComm","2015","17","1","73","","10.1039/C4CE01216J","","","0.71073","MoKα","","0.0906","0.0487","","","0.0879","0.1009","","","","","","1.016","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218182","19.6801","0.0013","17.4108","0.0011","10.6952","0.0007","90","","90","","90","","3664.7","0.4","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","5:morpholine 1/1 solvate","","","- C32 H41 F4 I2 N7 O5 -","- C32 H41 F4 I2 N7 O5 -","- C128 H164 F16 I8 N28 O20 -","4","1","","Bushuyev, Oleksandr S.; Tan, Davin; Barrett, Christopher J.; Friščić, Tomislav","Fluorinated azobenzenes with highly strained geometries for halogen bond-driven self-assembly in the solid state","CrystEngComm","2015","17","1","73","","10.1039/C4CE01216J","","","0.71073","MoKα","","0.0541","0.0386","","","0.069","0.0739","","","","","","1.029","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218183","12.0014","0.0007","7.104","0.0004","3.538","0.0002","90","","90","","90","","301.64","0.03","180","2","180","2","","","","","","","","5","C m m m","-C 2 2","65","","","","- C4 H4 Cl2 Co N2 -","- C4 H4 Cl2 Co N2 -","- C8 H8 Cl4 Co2 N4 -","2","0.125","","de Campos, Elvio Antonio; Silva, Nuno J. O.; Shi, Fa-Nian; Rocha, João","Cobalt(ii)‒pyrazine‒chloride coordination polymers: synthesis, reactivity and magnetic properties","CrystEngComm","2014","16","45","10439","","10.1039/C4CE01413H","","","0.71073","MoKα","","0.0309","0.0261","","","0.0634","0.0654","","","","","","1.14","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218184","7.1489","0.0006","7.1489","0.0006","10.6653","0.0017","90","","90","","90","","545.07","0.11","296","2","296","2","","","","","","","","5","I -4","I -4","82","","","","- C8 H8 Cl2 Co N4 -","- C8 H8 Cl2 Co N4 -","- C16 H16 Cl4 Co2 N8 -","2","0.25","","de Campos, Elvio Antonio; Silva, Nuno J. O.; Shi, Fa-Nian; Rocha, João","Cobalt(ii)‒pyrazine‒chloride coordination polymers: synthesis, reactivity and magnetic properties","CrystEngComm","2014","16","45","10439","","10.1039/C4CE01413H","","","0.71073","MoKα","","0.0509","0.0358","","","0.0763","0.0832","","","","","","1.068","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218185","7.1449","0.0011","7.1449","0.0011","10.633","0.002","90","","90","","90","","542.81","0.16","180","2","180","2","","","","","","","","5","I -4","I -4","82","","","","- C8 H8 Cl2 Co N4 -","- C8 H8 Cl2 Co N4 -","- C16 H16 Cl4 Co2 N8 -","2","0.25","","de Campos, Elvio Antonio; Silva, Nuno J. O.; Shi, Fa-Nian; Rocha, João","Cobalt(ii)‒pyrazine‒chloride coordination polymers: synthesis, reactivity and magnetic properties","CrystEngComm","2014","16","45","10439","","10.1039/C4CE01413H","","","0.71073","MoKα","","0.0879","0.042","","","0.0696","0.0834","","","","","","0.993","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218186","10.4759","0.0011","33.017","0.003","28.548","0.003","90","","97.288","0.001","90","","9794.5","1.7","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C83 H77 Cd2 N11 O15 -","- C83 H77 Cd2 N11 O15 -","- C332 H308 Cd8 N44 O60 -","4","1","","Cao, Tingting; Peng, Yanqiang; Liu, Ting; Wang, Suna; Dou, Jianmin; Li, Yunwu; Zhou, Changhui; Li, Dacheng; Bai, Junfeng","Assembly of a series of d10coordination polymers of pamoic acid through a mixed-ligand synthetic strategy: syntheses, structures and fluorescence properties","CrystEngComm","2014","16","46","10658","","10.1039/C4CE01356E","","","0.71073","MoKα","","0.1055","0.0617","","","0.1513","0.1602","","","","","","1.01","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7218187","11.853","0.006","12.385","0.006","21.013","0.01","90","","99.597","0.007","90","","3042","3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 N2 O6 Zn -","- C36 H28 N2 O6 Zn -","- C144 H112 N8 O24 Zn4 -","4","1","","Cao, Tingting; Peng, Yanqiang; Liu, Ting; Wang, Suna; Dou, Jianmin; Li, Yunwu; Zhou, Changhui; Li, Dacheng; Bai, Junfeng","Assembly of a series of d10coordination polymers of pamoic acid through a mixed-ligand synthetic strategy: syntheses, structures and fluorescence properties","CrystEngComm","2014","16","46","10658","","10.1039/C4CE01356E","","","0.71073","MoKα","","0.1152","0.0462","","","0.0662","0.0751","","","","","","1.063","","","","has coordinates,has disorder","180512","2020-10-21","18:00:00",""
"7218188","23.362","0.002","18.6642","0.0016","14.8125","0.0013","90","","90","","90","","6458.7","1","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C72 H70 Cd N4 O18 -","- C72 H70 Cd N4 O18 -","- C288 H280 Cd4 N16 O72 -","4","0.5","","Cao, Tingting; Peng, Yanqiang; Liu, Ting; Wang, Suna; Dou, Jianmin; Li, Yunwu; Zhou, Changhui; Li, Dacheng; Bai, Junfeng","Assembly of a series of d10coordination polymers of pamoic acid through a mixed-ligand synthetic strategy: syntheses, structures and fluorescence properties","CrystEngComm","2014","16","46","10658","","10.1039/C4CE01356E","","","0.71073","MoKα","","0.1613","0.0659","","","0.1488","0.1852","","","","","","0.847","","","","has coordinates,has disorder","180512","2020-10-21","18:00:00",""
"7218189","13.1085","0.0012","16.6562","0.0016","13.6422","0.0014","90","","92.185","0.001","90","","2976.4","0.5","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H28 N4 O6 Zn -","- C33 H28 N4 O6 Zn -","- C132 H112 N16 O24 Zn4 -","4","1","","Cao, Tingting; Peng, Yanqiang; Liu, Ting; Wang, Suna; Dou, Jianmin; Li, Yunwu; Zhou, Changhui; Li, Dacheng; Bai, Junfeng","Assembly of a series of d10coordination polymers of pamoic acid through a mixed-ligand synthetic strategy: syntheses, structures and fluorescence properties","CrystEngComm","2014","16","46","10658","","10.1039/C4CE01356E","","","0.71073","MoKα","","0.1013","0.0686","","","0.1958","0.2213","","","","","","1.023","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218190","11.0849","0.0013","11.6224","0.0014","13.0516","0.0015","71.141","0.001","86.977","0.002","69.796","0.001","1490","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H30 Cd N4 O7 -","- C33 H30 Cd N4 O7 -","- C66 H60 Cd2 N8 O14 -","2","1","","Cao, Tingting; Peng, Yanqiang; Liu, Ting; Wang, Suna; Dou, Jianmin; Li, Yunwu; Zhou, Changhui; Li, Dacheng; Bai, Junfeng","Assembly of a series of d10coordination polymers of pamoic acid through a mixed-ligand synthetic strategy: syntheses, structures and fluorescence properties","CrystEngComm","2014","16","46","10658","","10.1039/C4CE01356E","","","0.71073","MoKα","","0.1181","0.0556","","","0.0863","0.1031","","","","","","0.838","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218191","9.3381","0.0005","25.7913","0.0012","15.3127","0.0006","90","","95.891","0.004","90","","3668.5","0.3","121.3","0.1","121.3","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C76 H70 Cd3 Cl2 N12 O12 -","- C76 H70 Cd3 Cl2 N12 O12 -","- C152 H140 Cd6 Cl4 N24 O24 -","2","0.5","","Cao, Tingting; Peng, Yanqiang; Liu, Ting; Wang, Suna; Dou, Jianmin; Li, Yunwu; Zhou, Changhui; Li, Dacheng; Bai, Junfeng","Assembly of a series of d10coordination polymers of pamoic acid through a mixed-ligand synthetic strategy: syntheses, structures and fluorescence properties","CrystEngComm","2014","16","46","10658","","10.1039/C4CE01356E","","","0.71073","MoKα","","0.0786","0.0597","","","0.1247","0.1343","","","","","","1.132","","","","has coordinates,has disorder","180512","2020-10-21","18:00:00",""
"7218192","40.431","0.003","18.1158","0.001","35.3525","0.0018","90","","123.886","0.008","90","","21496","3","104.3","0.8","104.3","0.8","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C123 H92 N20 O32 Zn6 -","- C123 H92 N20 O32 Zn6 -","- C492 H368 N80 O128 Zn24 -","4","0.5","","Cao, Tingting; Peng, Yanqiang; Liu, Ting; Wang, Suna; Dou, Jianmin; Li, Yunwu; Zhou, Changhui; Li, Dacheng; Bai, Junfeng","Assembly of a series of d10coordination polymers of pamoic acid through a mixed-ligand synthetic strategy: syntheses, structures and fluorescence properties","CrystEngComm","2014","16","46","10658","","10.1039/C4CE01356E","","","1.54184","CuKα","","0.1303","0.0792","","","0.2136","0.2369","","","","","","1.015","","","","has coordinates,has disorder","180512","2020-10-21","18:00:00",""
"7218193","36.873","0.003","9.3152","0.0009","10.9288","0.0011","90","","93.643","0.001","90","","3746.2","0.6","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H36 Cd2 N12 O8 -","- C33 H36 Cd2 N12 O8 -","- C132 H144 Cd8 N48 O32 -","4","0.5","","Cao, Tingting; Peng, Yanqiang; Liu, Ting; Wang, Suna; Dou, Jianmin; Li, Yunwu; Zhou, Changhui; Li, Dacheng; Bai, Junfeng","Assembly of a series of d10coordination polymers of pamoic acid through a mixed-ligand synthetic strategy: syntheses, structures and fluorescence properties","CrystEngComm","2014","16","46","10658","","10.1039/C4CE01356E","","","0.71073","MoKα","","0.125","0.1045","","","0.2754","0.2856","","","","","","1.115","","","","has coordinates,has disorder","180512","2020-10-21","18:00:00",""
"7218194","7.9572","0.0006","15.2139","0.0011","24.9697","0.0017","90","","90.666","0.005","90","","3022.6","0.4","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H29 N3 O9 Zn2 -","- C30 H29 N3 O9 Zn2 -","- C120 H116 N12 O36 Zn8 -","4","1","","Klein, Y. Maximilian; Constable, Edwin C.; Housecroft, Catherine E.; Zampese, Jennifer A.; Crochet, Aurélien","Greasy tails switch 1D-coordination [{Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)}n] polymers to discrete [Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)2] complexes","CrystEngComm","2014","16","42","9915","","10.1039/C4CE01422G","","","1.54178","CuKα","","0.062","0.0528","","","0.1428","0.1487","","","","","","1.097","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218195","7.9713","0.001","15.4036","0.0016","25.046","0.003","90","","90.562","0.01","90","","3075.2","0.6","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H31 N3 O9 Zn2 -","- C31 H31 N3 O9 Zn2 -","- C124 H124 N12 O36 Zn8 -","4","1","","Klein, Y. Maximilian; Constable, Edwin C.; Housecroft, Catherine E.; Zampese, Jennifer A.; Crochet, Aurélien","Greasy tails switch 1D-coordination [{Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)}n] polymers to discrete [Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)2] complexes","CrystEngComm","2014","16","42","9915","","10.1039/C4CE01422G","","","1.54178","CuKα","","0.0782","0.0574","","","0.1438","0.155","","","","","","1.073","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218196","8.1511","0.0006","16.0769","0.0012","24.7374","0.0018","90","","90.796","0.003","90","","3241.4","0.4","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H33 N3 O9 Zn2 -","- C32 H33 N3 O9 Zn2 -","- C128 H132 N12 O36 Zn8 -","4","1","","Klein, Y. Maximilian; Constable, Edwin C.; Housecroft, Catherine E.; Zampese, Jennifer A.; Crochet, Aurélien","Greasy tails switch 1D-coordination [{Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)}n] polymers to discrete [Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)2] complexes","CrystEngComm","2014","16","42","9915","","10.1039/C4CE01422G","","","1.54178","CuKα","","0.0348","0.0331","","","0.0981","0.1007","","","","","","1.062","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218197","19.347","0.0019","11.084","0.0013","10.8074","0.001","90","","92.93","0.007","90","","2314.5","0.4","123","2","123","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C28 H29 N3 O -","- C28 H29 N3 O -","- C112 H116 N12 O4 -","4","1","","Klein, Y. Maximilian; Constable, Edwin C.; Housecroft, Catherine E.; Zampese, Jennifer A.; Crochet, Aurélien","Greasy tails switch 1D-coordination [{Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)}n] polymers to discrete [Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)2] complexes","CrystEngComm","2014","16","42","9915","","10.1039/C4CE01422G","","","1.54178","CuKα","","0.0417","0.0349","","","0.0855","0.0893","","","","","","1.035","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218198","15.1693","0.0008","17.4457","0.001","17.6212","0.0016","104.114","0.004","112.607","0.004","109.132","0.003","3683.4","0.5","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C144 H164 N12 O39 Zn8 -","- C144 H164 N12 O39 Zn8 -","- C144 H164 N12 O39 Zn8 -","1","0.5","","Klein, Y. Maximilian; Constable, Edwin C.; Housecroft, Catherine E.; Zampese, Jennifer A.; Crochet, Aurélien","Greasy tails switch 1D-coordination [{Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)}n] polymers to discrete [Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)2] complexes","CrystEngComm","2014","16","42","9915","","10.1039/C4CE01422G","","","1.54178","CuKα","","0.0772","0.0594","","","0.1704","0.1876","","","","","","1.035","","","","has coordinates,has disorder","180512","2020-10-21","18:00:00",""
"7218199","10.7384","0.0005","11.181","0.0006","13.7983","0.0007","91.221","0.003","103.627","0.003","94.827","0.003","1602.91","0.14","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H82 N6 O10 Zn2 -","- C70 H82 N6 O10 Zn2 -","- C70 H82 N6 O10 Zn2 -","1","0.5","","Klein, Y. Maximilian; Constable, Edwin C.; Housecroft, Catherine E.; Zampese, Jennifer A.; Crochet, Aurélien","Greasy tails switch 1D-coordination [{Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)}n] polymers to discrete [Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)2] complexes","CrystEngComm","2014","16","42","9915","","10.1039/C4CE01422G","","","1.54178","CuKα","","0.0567","0.0444","","","0.1151","0.1241","","","","","","1.023","","","","has coordinates,has disorder","180512","2020-10-21","18:00:00",""
"7218200","14.2398","0.0007","14.7602","0.0007","15.7924","0.0008","89.058","0.002","66.11","0.002","87.738","0.002","3032.5","0.3","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H74 N6 O10 Zn2 -","- C66 H74 N6 O10 Zn2 -","- C132 H148 N12 O20 Zn4 -","2","1","","Klein, Y. Maximilian; Constable, Edwin C.; Housecroft, Catherine E.; Zampese, Jennifer A.; Crochet, Aurélien","Greasy tails switch 1D-coordination [{Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)}n] polymers to discrete [Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)2] complexes","CrystEngComm","2014","16","42","9915","","10.1039/C4CE01422G","","","1.54178","CuKα","","0.0515","0.0443","","","0.1122","0.1179","","","","","","1.049","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218201","10.8959","0.0006","11.2529","0.0007","12.1372","0.0007","109.804","0.002","102.546","0.002","91.431","0.002","1358.81","0.14","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H62 N6 O10 Zn2 -","- C60 H62 N6 O10 Zn2 -","- C60 H62 N6 O10 Zn2 -","1","0.5","","Klein, Y. Maximilian; Constable, Edwin C.; Housecroft, Catherine E.; Zampese, Jennifer A.; Crochet, Aurélien","Greasy tails switch 1D-coordination [{Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)}n] polymers to discrete [Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)2] complexes","CrystEngComm","2014","16","42","9915","","10.1039/C4CE01422G","","","1.54178","CuKα","","0.0344","0.0324","","","0.0845","0.0863","","","","","","1.051","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218202","15.1794","0.0006","17.1547","0.0007","17.2922","0.0007","115.89","0.002","100.999","0.002","108.227","0.002","3554.1","0.3","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H78 N6 O20 Zn4 -","- C68 H74 N6 O20 Zn4 -","- C136 H148 N12 O40 Zn8 -","2","1","","Klein, Y. Maximilian; Constable, Edwin C.; Housecroft, Catherine E.; Zampese, Jennifer A.; Crochet, Aurélien","Greasy tails switch 1D-coordination [{Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)}n] polymers to discrete [Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)2] complexes","CrystEngComm","2014","16","42","9915","","10.1039/C4CE01422G","","","1.54178","CuKα","","0.0685","0.0516","","","0.1364","0.149","","","","","","1.043","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218203","10.9315","0.0007","11.2063","0.0008","13.3817","0.0009","96.615","0.003","102.46","0.003","99.944","0.003","1556.69","0.18","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H78 N6 O10 Zn2 -","- C68 H78 N6 O10 Zn2 -","- C68 H78 N6 O10 Zn2 -","1","0.5","","Klein, Y. Maximilian; Constable, Edwin C.; Housecroft, Catherine E.; Zampese, Jennifer A.; Crochet, Aurélien","Greasy tails switch 1D-coordination [{Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)}n] polymers to discrete [Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)2] complexes","CrystEngComm","2014","16","42","9915","","10.1039/C4CE01422G","","","1.54178","CuKα","","0.039","0.0348","","","0.0877","0.0911","","","","","","1.031","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218204","10.0691","0.0008","10.7273","0.0009","11.9802","0.0009","93.2","0.003","106.786","0.003","117.792","0.003","1067.91","0.15","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H27 N3 O -","- C27 H27 N3 O -","- C54 H54 N6 O2 -","2","1","","Klein, Y. Maximilian; Constable, Edwin C.; Housecroft, Catherine E.; Zampese, Jennifer A.; Crochet, Aurélien","Greasy tails switch 1D-coordination [{Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)}n] polymers to discrete [Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)2] complexes","CrystEngComm","2014","16","42","9915","","10.1039/C4CE01422G","","","1.54178","CuKα","","0.0357","0.0334","","","0.0916","0.0937","","","","","","1.044","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218205","8.0908","0.0009","29.735","0.003","16.6368","0.0018","90","","99.076","0.009","90","","3952.4","0.7","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H43 N3 O11 Zn2 -","- C37 H43 N3 O11 Zn2 -","- C148 H172 N12 O44 Zn8 -","4","1","","Klein, Y. Maximilian; Constable, Edwin C.; Housecroft, Catherine E.; Zampese, Jennifer A.; Crochet, Aurélien","Greasy tails switch 1D-coordination [{Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)}n] polymers to discrete [Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)2] complexes","CrystEngComm","2014","16","42","9915","","10.1039/C4CE01422G","","","1.54178","CuKα","","0.1554","0.1061","","","0.2826","0.3108","","","","","","1.136","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218212","22.95","0.004","34.573","0.005","17.549","0.005","90","","104.677","0.002","90","","13470","5","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","C-methylpyrogallol[4]arene with 1-(2-pyridylazo)-2-napthol","","","- C78 H71 N9 O17 -","- C78 H69 N9 O17 -","- C624 H552 N72 O136 -","8","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Teat, Simon; Atwood, Jerry L.","Cocrystallization of pyrogallol[4]arenes with 1-(2-pyridylazo)-2-naphthol","CrystEngComm","2014","16","47","10760","","10.1039/C4CE01768D","","","0.71073","MoKα","","0.1572","0.0619","","","0.1255","0.162","","","","","","0.99","","","","has coordinates,has disorder","180513","2020-10-21","18:00:00",""
"7218213","17.524","0.0004","17.9622","0.0004","18.5524","0.0004","99.369","0.001","100.579","0.001","110.01","0.001","5230.6","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","C-methylpyrogallol[4]arene with 1-(2-pyridylazo)-2-napthol","","","- C117 H121 N9 O31 -","- C117 H121 N9 O31 -","- C234 H242 N18 O62 -","2","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Teat, Simon; Atwood, Jerry L.","Cocrystallization of pyrogallol[4]arenes with 1-(2-pyridylazo)-2-naphthol","CrystEngComm","2014","16","47","10760","","10.1039/C4CE01768D","","","1.54178","CuKα","","0.0684","0.0556","","","0.1728","0.1896","","","","","","1.066","","","","has coordinates,has disorder","180513","2020-10-21","18:00:00",""
"7218214","29.9239","0.0011","19.772","0.0007","23.7677","0.0009","90","","116.033","0.002","90","","12635.5","0.8","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","C-methylpyrogallol[4]arene with 1-(2-pyridylazo)-2-napthol","","","- C71 H78 N6 O17 -","- C71 H78 N6 O17 -","- C568 H624 N48 O136 -","8","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Teat, Simon; Atwood, Jerry L.","Cocrystallization of pyrogallol[4]arenes with 1-(2-pyridylazo)-2-naphthol","CrystEngComm","2014","16","47","10760","","10.1039/C4CE01768D","","","0.7749","synchrotron","","0.0774","0.057","","","0.1556","0.1679","","","","","","1.047","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218215","7.3273","0.0008","16.7326","0.0019","23.611","0.003","85.742","0.002","83.946","0.002","86.963","0.002","2867.8","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","C-ethyl-pyrogallol[4]arene with 1-(2-pyridylazo)-2-napthol","","","- C66 H60 N8 O14 -","- C66 H60 N8 O14 -","- C132 H120 N16 O28 -","2","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Teat, Simon; Atwood, Jerry L.","Cocrystallization of pyrogallol[4]arenes with 1-(2-pyridylazo)-2-naphthol","CrystEngComm","2014","16","47","10760","","10.1039/C4CE01768D","","","0.71073","MoKα","","0.1029","0.0456","","","0.0982","0.1225","","","","","","0.984","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218216","12.6468","0.0016","15.636","0.002","16.887","0.002","64.978","0.002","81.891","0.002","68.093","0.002","2806.9","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","C-ethylpyrogallol[4]arene with 1-(2-pyridylazo)-2-napthol","","","- C67 H66 N6 O15 -","- C67 H66 N6 O15 -","- C134 H132 N12 O30 -","2","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Teat, Simon; Atwood, Jerry L.","Cocrystallization of pyrogallol[4]arenes with 1-(2-pyridylazo)-2-naphthol","CrystEngComm","2014","16","47","10760","","10.1039/C4CE01768D","","","0.71073","MoKα","","0.0975","0.0577","","","0.1506","0.1785","","","","","","1.023","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218217","12.5764","0.0016","15.566","0.002","16.818","0.002","65.345","0.002","82.005","0.002","68.245","0.002","2778.6","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","C-ethylpyrogallol[4]arene with 1-(2-pyridylazo)-2-napthol","","","- C66 H64 N6 O15 -","- C66 H64 N6 O15 -","- C132 H128 N12 O30 -","2","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Teat, Simon; Atwood, Jerry L.","Cocrystallization of pyrogallol[4]arenes with 1-(2-pyridylazo)-2-naphthol","CrystEngComm","2014","16","47","10760","","10.1039/C4CE01768D","","","0.71073","MoKα","","0.1061","0.0586","","","0.1405","0.1638","","","","","","1.049","","","","has coordinates,has disorder","180513","2020-10-21","18:00:00",""
"7218218","15.986","0.003","13.95","0.003","19.675","0.004","90","","99.924","0.003","90","","4322","1.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","C-ethylpyrogallol[4]arene with 1-(2-pyridylazo)-2-napthol","","","- C51 H51 N3 O13 -","- C51 H51 N3 O13 -","- C204 H204 N12 O52 -","4","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Teat, Simon; Atwood, Jerry L.","Cocrystallization of pyrogallol[4]arenes with 1-(2-pyridylazo)-2-naphthol","CrystEngComm","2014","16","47","10760","","10.1039/C4CE01768D","","","0.71073","MoKα","","0.0895","0.0485","","","0.1104","0.1349","","","","","","1.017","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218219","12.453","0.003","15.858","0.003","19.087","0.006","110.506","0.004","94.181","0.004","110.339","0.003","3228","1.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","C-propylpyrogallol[4]arene with 1-(2-pyridylazo)-2-napthol","","","- C71.5 H79 N6 O17 -","- C71.5 H78 N6 O17 -","- C143 H156 N12 O34 -","2","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Teat, Simon; Atwood, Jerry L.","Cocrystallization of pyrogallol[4]arenes with 1-(2-pyridylazo)-2-naphthol","CrystEngComm","2014","16","47","10760","","10.1039/C4CE01768D","","","0.71073","MoKα","","0.1131","0.0677","","","0.1782","0.207","","","","","","1.067","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7218220","12.6569","0.001","15.762","0.0013","18.771","0.002","109.665","0.001","92.113","0.001","111.92","0.001","3214.3","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","C-propylpyrogallol[4]arene with 1-(2-pyridylazo)-2-napthol","","","- C72 H80 N6 O17 -","- C72 H78 N6 O17 -","- C144 H156 N12 O34 -","2","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Teat, Simon; Atwood, Jerry L.","Cocrystallization of pyrogallol[4]arenes with 1-(2-pyridylazo)-2-naphthol","CrystEngComm","2014","16","47","10760","","10.1039/C4CE01768D","","","0.71073","MoKα","","0.0691","0.0479","","","0.1234","0.1371","","","","","","1.047","","","","has coordinates,has disorder","180513","2020-10-21","18:00:00",""
"7218221","12.618","0.003","15.758","0.003","18.702","0.004","109.763","0.003","92.291","0.003","112.029","0.003","3184.2","1.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","C-propylpyrogallol[4]arene with 1-(2-pyridylazo)-2-napthol","","","- C73 H82 N6 O17 -","- C73 H80 N6 O17 -","- C146 H160 N12 O34 -","2","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Teat, Simon; Atwood, Jerry L.","Cocrystallization of pyrogallol[4]arenes with 1-(2-pyridylazo)-2-naphthol","CrystEngComm","2014","16","47","10760","","10.1039/C4CE01768D","","","0.7749","synchrotron","","0.089","0.0615","","","0.1671","0.1892","","","","","","1.036","","","","has coordinates,has disorder","180513","2020-10-21","18:00:00",""
"7218222","11.8485","0.0016","12.7498","0.0017","18.287","0.002","84.294","0.002","85.839","0.002","63.72","0.002","2463.5","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","C-propylpyrogallol[4]arene with 1-(2-pyridylazo)-2-napthol","","","- C57 H65 N3 O18 -","- C57 H65 N3 O18 -","- C114 H130 N6 O36 -","2","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Teat, Simon; Atwood, Jerry L.","Cocrystallization of pyrogallol[4]arenes with 1-(2-pyridylazo)-2-naphthol","CrystEngComm","2014","16","47","10760","","10.1039/C4CE01768D","","","0.7749","synchrotron","","0.0863","0.0631","","","0.1649","0.185","","","","","","1.039","","","","has coordinates,has disorder","180513","2020-10-21","18:00:00",""
"7218223","18.733","0.002","12.8486","0.0013","22.432","0.002","90","","106.873","0.001","90","","5166.8","0.9","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","C-propylpyrogallol[4]arene with 1-(2-pyridylazo)-2-napthol","","","- C57 H66 N4 O15 -","- C57 H62 N4 O15 -","- C228 H248 N16 O60 -","4","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Teat, Simon; Atwood, Jerry L.","Cocrystallization of pyrogallol[4]arenes with 1-(2-pyridylazo)-2-naphthol","CrystEngComm","2014","16","47","10760","","10.1039/C4CE01768D","","","0.71073","MoKα","","0.1318","0.0599","","","0.1468","0.189","","","","","","1.031","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218224","10.771","0.002","6.4406","0.0013","19.57","0.004","90","","98.21","0.03","90","","1343.7","0.5","223","2","223","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C32 H28 N2 O4 Zn -","- C32 H28 N2 O4 Zn -","- C64 H56 N4 O8 Zn2 -","2","0.5","","Ge, Yu; Li, Ni-Ya; Ma, Wei; Liu, Dong; Tang, Xiao-Yan","Structural diversity and photoluminescence properties of zinc coordination polymers constructed from 1,4-bis[2-(4-pyridyl)ethenyl]-2,3,5,6-tetramethylbenzene and para-dicarboxylates","CrystEngComm","2014","16","48","10949","","10.1039/C4CE01635A","","","0.71073","MoKα","","0.0299","0.0277","","","0.0763","0.0777","","","","","","1.085","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218225","10.388","0.002","14.804","0.003","20.219","0.004","83.24","0.03","84.1","0.03","87.45","0.03","3069.7","1.1","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H68 N4 O8 Zn2 -","- C64 H68 N4 O8 Zn2 -","- C128 H136 N8 O16 Zn4 -","2","1","","Ge, Yu; Li, Ni-Ya; Ma, Wei; Liu, Dong; Tang, Xiao-Yan","Structural diversity and photoluminescence properties of zinc coordination polymers constructed from 1,4-bis[2-(4-pyridyl)ethenyl]-2,3,5,6-tetramethylbenzene and para-dicarboxylates","CrystEngComm","2014","16","48","10949","","10.1039/C4CE01635A","","","0.71073","MoKα","","0.0786","0.0485","","","0.1174","0.1326","","","","","","1.012","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218226","15.281","0.003","21.46","0.004","15.867","0.003","90","","94.63","0.03","90","","5186.3","1.7","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26.5 H20.75 N1.25 O4 Zn -","- C26.5 H20.75 N1.25 O4 Zn -","- C212 H166 N10 O32 Zn8 -","8","1","","Ge, Yu; Li, Ni-Ya; Ma, Wei; Liu, Dong; Tang, Xiao-Yan","Structural diversity and photoluminescence properties of zinc coordination polymers constructed from 1,4-bis[2-(4-pyridyl)ethenyl]-2,3,5,6-tetramethylbenzene and para-dicarboxylates","CrystEngComm","2014","16","48","10949","","10.1039/C4CE01635A","","","0.71073","MoKα","","0.0756","0.0593","","","0.1533","0.1694","","","","","","1.04","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218227","16.26","0.003","16.26","0.003","16.549","0.003","90","","90","","90","","4375.4","1.4","223","2","223","2","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","","","","- C26 H20 N O5 Zn -","- C26 H20 N O5 Zn -","- C208 H160 N8 O40 Zn8 -","8","0.5","","Ge, Yu; Li, Ni-Ya; Ma, Wei; Liu, Dong; Tang, Xiao-Yan","Structural diversity and photoluminescence properties of zinc coordination polymers constructed from 1,4-bis[2-(4-pyridyl)ethenyl]-2,3,5,6-tetramethylbenzene and para-dicarboxylates","CrystEngComm","2014","16","48","10949","","10.1039/C4CE01635A","","","0.71073","MoKα","","0.0487","0.0421","","","0.1117","0.1189","","","","","","1.052","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218228","15.063","0.003","6.1809","0.0012","23.546","0.008","90","","117.92","0.02","90","","1937","0.9","223","2","223","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C42 H38 N2 O5 Zn -","- C42 H38 N2 O5 Zn -","- C84 H76 N4 O10 Zn2 -","2","0.5","","Ge, Yu; Li, Ni-Ya; Ma, Wei; Liu, Dong; Tang, Xiao-Yan","Structural diversity and photoluminescence properties of zinc coordination polymers constructed from 1,4-bis[2-(4-pyridyl)ethenyl]-2,3,5,6-tetramethylbenzene and para-dicarboxylates","CrystEngComm","2014","16","48","10949","","10.1039/C4CE01635A","","","0.71073","MoKα","","0.078","0.0691","","","0.1995","0.2073","","","","","","1.067","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218229","16.99","0.003","18.475","0.004","11.966","0.002","90","","92.92","0.03","90","","3751.1","1.2","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C29 H17 F18 N4 Nd O6 -","- C29 H17 F18 N4 Nd O6 -","- C116 H68 F72 N16 Nd4 O24 -","4","1","","Sun, Ou; Gao, Ting; Sun, Jingwen; Li, Guangming; Li, Hongfeng; Xu, Hui; Wang, Cheng; Yan, Pengfei","A series of lanthanide(iii) complexes constructed from Schiff base and β-diketonate ligands","CrystEngComm","2014","16","45","10460","","10.1039/C4CE01556H","","","0.71073","MoKα","","0.0547","0.0356","","","0.0838","0.0915","","","","","","0.962","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218230","16.975","0.003","18.527","0.004","11.936","0.002","90","","93.47","0.03","90","","3746.9","1.2","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C29 H17 F18 N4 O6 Sm -","- C29 H17 F18 N4 O6 Sm -","- C116 H68 F72 N16 O24 Sm4 -","4","1","","Sun, Ou; Gao, Ting; Sun, Jingwen; Li, Guangming; Li, Hongfeng; Xu, Hui; Wang, Cheng; Yan, Pengfei","A series of lanthanide(iii) complexes constructed from Schiff base and β-diketonate ligands","CrystEngComm","2014","16","45","10460","","10.1039/C4CE01556H","","","0.71073","MoKα","","0.0514","0.036","","","0.0877","0.0968","","","","","","0.988","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218231","16.936","0.003","18.506","0.004","11.923","0.002","90","","93.65","0.03","90","","3729.3","1.2","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C29 H17 Eu F18 N4 O6 -","- C29 H17 Eu F18 N4 O6 -","- C116 H68 Eu4 F72 N16 O24 -","4","1","","Sun, Ou; Gao, Ting; Sun, Jingwen; Li, Guangming; Li, Hongfeng; Xu, Hui; Wang, Cheng; Yan, Pengfei","A series of lanthanide(iii) complexes constructed from Schiff base and β-diketonate ligands","CrystEngComm","2014","16","45","10460","","10.1039/C4CE01556H","","","0.71073","MoKα","","","0.0409","","","0.1118","0.1207","","","","","","1.045","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218232","17.701","0.0005","19.2428","0.0004","23.1401","0.0007","67.657","0.002","83.186","0.002","63.229","0.002","6495.6","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C96 H58 F60 Gd4 N12 O24 -","- C96 H58 F60 Gd4 N12 O24 -","- C192 H116 F120 Gd8 N24 O48 -","2","1","","Sun, Ou; Gao, Ting; Sun, Jingwen; Li, Guangming; Li, Hongfeng; Xu, Hui; Wang, Cheng; Yan, Pengfei","A series of lanthanide(iii) complexes constructed from Schiff base and β-diketonate ligands","CrystEngComm","2014","16","45","10460","","10.1039/C4CE01556H","","","0.71073","MoKα","","0.0857","0.055","","","0.1431","0.1611","","","","","","1.081","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218233","12.44","0.005","20.322","0.005","20.819","0.005","70.278","0.005","74.202","0.005","79.033","0.005","4739","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C69 H36 Dy3 F48 N11 O16 -","- C69 H36 Dy3 F48 N11 O16 -","- C138 H72 Dy6 F96 N22 O32 -","2","1","","Sun, Ou; Gao, Ting; Sun, Jingwen; Li, Guangming; Li, Hongfeng; Xu, Hui; Wang, Cheng; Yan, Pengfei","A series of lanthanide(iii) complexes constructed from Schiff base and β-diketonate ligands","CrystEngComm","2014","16","45","10460","","10.1039/C4CE01556H","","","0.71069","MoKα","","0.0832","0.0527","","","0.1139","0.1334","","","","","","1.039","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218234","23.313","0.005","11.45","0.002","24.062","0.005","90","","90","","90","","6423","2","293","2","293","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C44 H20 F36 N4 O12 Yb2 -","- C44 H20 F36 N4 O12 Yb2 -","- C176 H80 F144 N16 O48 Yb8 -","4","0.5","","Sun, Ou; Gao, Ting; Sun, Jingwen; Li, Guangming; Li, Hongfeng; Xu, Hui; Wang, Cheng; Yan, Pengfei","A series of lanthanide(iii) complexes constructed from Schiff base and β-diketonate ligands","CrystEngComm","2014","16","45","10460","","10.1039/C4CE01556H","","","0.71073","MoKα","","0.0771","0.0541","","","0.1405","0.1546","","","","","","1.079","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218244","12.123","0.0006","16.851","0.0008","17.716","0.0008","106.672","0.004","109.3","0.004","99.89","0.004","3126.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H68 N2 O30 Zn3 -","- C52 H52 N2 O30 Zn3 -","- C104 H104 N4 O60 Zn6 -","2","1","","Zhang, Hang; Jiang, Wei; Yang, Jin; Liu, Ying-Ying; Song, Shuyan; Ma, Jian-Fang","Four coordination polymers constructed by a novel octacarboxylate functionalized calix[4]arene ligand: syntheses, structures, and photoluminescence property","CrystEngComm","2014","16","42","9939","","10.1039/C4CE01581A","","","0.71069","MoKα","","0.111","0.0775","","","0.2248","0.2573","","","","","","1.035","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218245","16.719","0.0004","16.719","0.0004","24.598","0.0007","90","","90","","120","","5954.6","0.3","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C54 H82 Co4 N2 O39 -","- C54 H54 Co4 N2 O39 -","- C162 H162 Co12 N6 O117 -","3","0.5","","Zhang, Hang; Jiang, Wei; Yang, Jin; Liu, Ying-Ying; Song, Shuyan; Ma, Jian-Fang","Four coordination polymers constructed by a novel octacarboxylate functionalized calix[4]arene ligand: syntheses, structures, and photoluminescence property","CrystEngComm","2014","16","42","9939","","10.1039/C4CE01581A","","","0.71069","MoKα","","0.0948","0.065","","","0.1805","0.1996","","","","","","1.11","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218246","16.719","0.0007","16.719","0.0007","24.598","0.001","90","","90","","120","","5954.6","0.4","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C54 H82 N2 Ni4 O39 -","- C54 H54 N2 Ni4 O39 -","- C162 H162 N6 Ni12 O117 -","3","0.5","","Zhang, Hang; Jiang, Wei; Yang, Jin; Liu, Ying-Ying; Song, Shuyan; Ma, Jian-Fang","Four coordination polymers constructed by a novel octacarboxylate functionalized calix[4]arene ligand: syntheses, structures, and photoluminescence property","CrystEngComm","2014","16","42","9939","","10.1039/C4CE01581A","","","0.71069","MoKα","","0.1284","0.0746","","","0.1964","0.2379","","","","","","1.022","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218247","12.3029","0.0013","17.4336","0.0019","17.492","0.0018","67.67","0.01","76.2","0.009","71.884","0.009","3267.3","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H84 Mn3 N2 O39 -","- C53 H54 Mn3 N2 O39 -","- C106 H108 Mn6 N4 O78 -","2","1","","Zhang, Hang; Jiang, Wei; Yang, Jin; Liu, Ying-Ying; Song, Shuyan; Ma, Jian-Fang","Four coordination polymers constructed by a novel octacarboxylate functionalized calix[4]arene ligand: syntheses, structures, and photoluminescence property","CrystEngComm","2014","16","42","9939","","10.1039/C4CE01581A","","","0.71073","MoKα","","0.2191","0.0903","","","0.1829","0.2496","","","","","","0.973","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218258","15.675","0.002","18.849","0.005","19.855","0.005","90","","90","","90","","5866","2","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H42 N4 O8 S -","- C22 H42 N4 O8 S -","- C176 H336 N32 O64 S8 -","8","2","","Gopinath, Pushparathinam; Ramkumar, Venkatachalam; Muraleedharan, Kannoth Manheri","Peptide turns through just ‘one atom’! A sulfamide group nucleates folding and stabilizes new supramolecular topologies in short peptides","CrystEngComm","2014","16","45","10371","","10.1039/C4CE01938E","","","0.71073","MoKα","","0.0708","0.0473","","","0.1106","0.1297","","","","","","1.032","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218259","9.1689","0.0004","15.824","0.0005","21.6607","0.001","90","","90","","90","","3142.7","0.2","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H46 N4 O8 S -","- C24 H46 N4 O8 S -","- C96 H184 N16 O32 S4 -","4","1","","Gopinath, Pushparathinam; Ramkumar, Venkatachalam; Muraleedharan, Kannoth Manheri","Peptide turns through just ‘one atom’! A sulfamide group nucleates folding and stabilizes new supramolecular topologies in short peptides","CrystEngComm","2014","16","45","10371","","10.1039/C4CE01938E","","","0.71073","MoKα","","0.1329","0.0743","","","0.1899","0.2296","","","","","","1.034","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218260","10.551","0.003","15.765","0.005","20.395","0.005","90","","90","","90","","3392.4","1.7","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H50 N4 O8 S -","- C26 H50 N4 O8 S -","- C104 H200 N16 O32 S4 -","4","1","","Gopinath, Pushparathinam; Ramkumar, Venkatachalam; Muraleedharan, Kannoth Manheri","Peptide turns through just ‘one atom’! A sulfamide group nucleates folding and stabilizes new supramolecular topologies in short peptides","CrystEngComm","2014","16","45","10371","","10.1039/C4CE01938E","","","0.71073","MoKα","","0.0691","0.0536","","","0.1299","0.1423","","","","","","1.036","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218261","4.9125","0.0002","9.3729","0.0004","12.3508","0.0005","110.316","0.002","90.313","0.002","100.233","0.001","523.43","0.04","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C14 H26 N4 O8 S -","- C14 H26 N4 O8 S -","- C14 H26 N4 O8 S -","1","1","","Gopinath, Pushparathinam; Ramkumar, Venkatachalam; Muraleedharan, Kannoth Manheri","Peptide turns through just ‘one atom’! A sulfamide group nucleates folding and stabilizes new supramolecular topologies in short peptides","CrystEngComm","2014","16","45","10371","","10.1039/C4CE01938E","","","0.71073","MoKα","","0.0325","0.032","","","0.0869","0.0877","","","","","","1.062","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218267","37.303","0.0017","8.9433","0.0004","12.9288","0.0006","90","","100.327","0.002","90","","4243.3","0.3","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-(BEDT-TTF)ethyl thiophene-2-carboxylate","","- C17 H14 O2 S9 -","- C17 H14 O2 S9 -","- C136 H112 O16 S72 -","8","1","","Wang, Qiang; Wallis, John D.; Wu, Yiliang; Pilkington, Melanie","A structural investigation of novel thiophene-functionalized BEDT-TTF donors for application as organic field-effect transistors","CrystEngComm","2014","16","44","10235","","10.1039/C4CE01686F","","","0.71073","MoKα","","0.0547","0.053","","","0.1198","0.1208","","","","","","1.113","","","","has coordinates,has disorder","180513","2020-10-21","18:00:00",""
"7218268","6.5563","0.0005","9.9629","0.0008","16.1326","0.0013","105.019","0.002","96.449","0.002","97.549","0.002","997.1","0.14","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","2-(BEDT-TTF)methyl thiophene-2-carboxylate","","- C16 H12 O2 S9 -","- C16 H12 O2 S9 -","- C32 H24 O4 S18 -","2","1","","Wang, Qiang; Wallis, John D.; Wu, Yiliang; Pilkington, Melanie","A structural investigation of novel thiophene-functionalized BEDT-TTF donors for application as organic field-effect transistors","CrystEngComm","2014","16","44","10235","","10.1039/C4CE01686F","","","0.71073","MoKα","","0.039","0.0357","","","0.0793","0.083","","","","","","1.147","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218269","8.204","0.003","12.534","0.003","18.02","0.005","90","","102.77","0.03","90","","1807.1","1","250","2","250","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C21 H16 N2 O7 -","- C21 H16 N2 O7 -","- C84 H64 N8 O28 -","4","1","","Sowa, Michał; Ślepokura, Katarzyna; Matczak-Jon, Ewa","Improving solubility of fisetin by cocrystallization","CrystEngComm","2014","16","46","10592","","10.1039/C4CE01713G","","","0.71073","MoKα","","0.1207","0.0584","","","0.1188","0.1316","","","","","","1","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218270","7.553","0.002","14.247","0.005","15.149","0.005","66.25","0.04","79.39","0.03","81.05","0.03","1460.6","0.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H30 N8 O10 -","- C31 H30 N8 O10 -","- C62 H60 N16 O20 -","2","1","","Sowa, Michał; Ślepokura, Katarzyna; Matczak-Jon, Ewa","Improving solubility of fisetin by cocrystallization","CrystEngComm","2014","16","46","10592","","10.1039/C4CE01713G","","","0.71073","MoKα","","0.161","0.0663","","","0.107","0.1224","","","","","","1.005","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218271","3.4771","0.0008","10.671","0.002","10.22","0.002","90","","94.143","0.004","90","","378.21","0.13","140","2","140","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C H2 Ag N5 -","- C H2 Ag N5 -","- C4 H8 Ag4 N20 -","4","1","","Zhang, Qi; Chen, Dong; He, Xuan; Huang, Shiliang; Huang, Jinglun; Zhou, Xiaoqing; Yang, Zongwei; Li, Jinshan; Li, Hongzhen; Nie, Fude","Structures, photoluminescence and photocatalytic properties of two novel metal‒organic frameworks based on tetrazole derivatives","CrystEngComm","2014","16","45","10485","","10.1039/C4CE01388C","","","0.71073","MoKα","","0.0382","0.0338","","","0.0965","0.0986","","","","","","1.16","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218272","4.5401","0.0006","11.0469","0.0015","14.585","0.002","90","","93.647","0.002","90","","730.02","0.17","140","2","140","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H8 Ag N7 -","- C3 H8 Ag N7 -","- C12 H32 Ag4 N28 -","4","1","","Zhang, Qi; Chen, Dong; He, Xuan; Huang, Shiliang; Huang, Jinglun; Zhou, Xiaoqing; Yang, Zongwei; Li, Jinshan; Li, Hongzhen; Nie, Fude","Structures, photoluminescence and photocatalytic properties of two novel metal‒organic frameworks based on tetrazole derivatives","CrystEngComm","2014","16","45","10485","","10.1039/C4CE01388C","","","0.71073","MoKα","","0.0336","0.0268","","","0.072","0.075","","","","","","1.146","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218273","10.0914","0.0005","12.6143","0.0006","13.2987","0.0006","99.312","0.003","100.74","0.004","96.354","0.004","1623.89","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H44 Cl6 La2 N4 O14 -","- C66 H44 Cl6 La2 N4 O14 -","- C66 H44 Cl6 La2 N4 O14 -","1","0.5","","Carter, Korey P.; Zulato, Cecília H. F.; Cahill, Christopher L.","Exploring supramolecular assembly and luminescent behavior in a series of RE-p-chlorobenzoic acid-1,10-phenanthroline complexes","CrystEngComm","2014","16","44","10189","","10.1039/C4CE01806K","","x-ray","0.71073","MoKα","","0.0508","0.0347","","","0.0603","0.0659","","","","","","1.013","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218274","8.4595","0.0005","12.9231","0.0008","15.4404","0.0009","98.995","0.006","100.654","0.007","100.68","0.006","1598.09","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H44 Ce2 Cl6 N4 O14 -","- C66 H44 Ce2 Cl6 N4 O14 -","- C66 H44 Ce2 Cl6 N4 O14 -","1","0.5","","Carter, Korey P.; Zulato, Cecília H. F.; Cahill, Christopher L.","Exploring supramolecular assembly and luminescent behavior in a series of RE-p-chlorobenzoic acid-1,10-phenanthroline complexes","CrystEngComm","2014","16","44","10189","","10.1039/C4CE01806K","","x-ray","0.71073","MoKα","","0.057","0.0384","","","0.0688","0.0755","","","","","","0.995","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218275","8.4411","0.0003","12.9074","0.0004","15.4508","0.0005","98.976","0.001","100.829","0.001","100.727","0.002","1592.4","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H44 Cl6 N4 Nd2 O14 -","- C66 H44 Cl6 N4 Nd2 O14 -","- C66 H44 Cl6 N4 Nd2 O14 -","1","0.5","","Carter, Korey P.; Zulato, Cecília H. F.; Cahill, Christopher L.","Exploring supramolecular assembly and luminescent behavior in a series of RE-p-chlorobenzoic acid-1,10-phenanthroline complexes","CrystEngComm","2014","16","44","10189","","10.1039/C4CE01806K","","x-ray","0.71073","MoKα","","0.0532","0.037","","","0.0653","0.0716","","","","","","1.037","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218276","10.0492","0.0004","11.9135","0.0005","14.3855","0.0006","110.397","0.002","96.364","0.003","102.19","0.002","1545.56","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H40 Cl6 N4 O12 Sm2 -","- C66 H40 Cl6 N4 O12 Sm2 -","- C66 H40 Cl6 N4 O12 Sm2 -","1","0.5","","Carter, Korey P.; Zulato, Cecília H. F.; Cahill, Christopher L.","Exploring supramolecular assembly and luminescent behavior in a series of RE-p-chlorobenzoic acid-1,10-phenanthroline complexes","CrystEngComm","2014","16","44","10189","","10.1039/C4CE01806K","","x-ray","0.71073","MoKα","","0.0247","0.0213","","","0.0503","0.0523","","","","","","1.044","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218277","10.0755","0.0003","11.8866","0.0003","14.3488","0.0004","110.75","0.03","96.41","0.03","101.87","0.02","1540.3","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H40 Cl6 Gd2 N4 O12 -","- C66 H40 Cl6 Gd2 N4 O12 -","- C66 H40 Cl6 Gd2 N4 O12 -","1","0.5","","Carter, Korey P.; Zulato, Cecília H. F.; Cahill, Christopher L.","Exploring supramolecular assembly and luminescent behavior in a series of RE-p-chlorobenzoic acid-1,10-phenanthroline complexes","CrystEngComm","2014","16","44","10189","","10.1039/C4CE01806K","","x-ray","0.71073","MoKα","","0.0317","0.0249","","","0.0513","0.0539","","","","","","1.028","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218278","10.0939","0.0003","11.8412","0.0004","14.2899","0.0005","111.041","0.002","96.482","0.001","101.468","0.001","1530.25","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H40 Cl6 Ho2 N4 O12 -","- C66 H40 Cl6 Ho2 N4 O12 -","- C66 H40 Cl6 Ho2 N4 O12 -","1","0.5","","Carter, Korey P.; Zulato, Cecília H. F.; Cahill, Christopher L.","Exploring supramolecular assembly and luminescent behavior in a series of RE-p-chlorobenzoic acid-1,10-phenanthroline complexes","CrystEngComm","2014","16","44","10189","","10.1039/C4CE01806K","","x-ray","0.71073","MoKα","","0.033","0.0258","","","0.0512","0.0541","","","","","","1.03","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218279","10.0959","0.0003","11.8279","0.0003","14.274","0.0004","111.186","0.0009","96.461","0.0009","101.386","0.0011","1526.17","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H40 Cl6 Er2 N4 O12 -","- C66 H40 Cl6 Er2 N4 O12 -","- C66 H40 Cl6 Er2 N4 O12 -","1","0.5","","Carter, Korey P.; Zulato, Cecília H. F.; Cahill, Christopher L.","Exploring supramolecular assembly and luminescent behavior in a series of RE-p-chlorobenzoic acid-1,10-phenanthroline complexes","CrystEngComm","2014","16","44","10189","","10.1039/C4CE01806K","","x-ray","0.71073","MoKα","","0.0292","0.0236","","","0.0493","0.0515","","","","","","1.035","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218280","10.1079","0.0003","11.819","0.0003","14.2667","0.0004","111.32","0.002","96.529","0.003","101.207","0.002","1525.43","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H40 Cl6 N4 O12 Tm2 -","- C66 H40 Cl6 N4 O12 Tm2 -","- C66 H40 Cl6 N4 O12 Tm2 -","1","0.5","","Carter, Korey P.; Zulato, Cecília H. F.; Cahill, Christopher L.","Exploring supramolecular assembly and luminescent behavior in a series of RE-p-chlorobenzoic acid-1,10-phenanthroline complexes","CrystEngComm","2014","16","44","10189","","10.1039/C4CE01806K","","x-ray","0.71073","MoKα","","0.0341","0.0267","","","0.0554","0.0586","","","","","","1.035","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218281","10.0937","0.0008","11.8057","0.0009","14.2502","0.0011","111.386","0.005","96.465","0.004","101.209","0.005","1519.4","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H40 Cl6 N4 O12 Yb2 -","- C66 H40 Cl6 N4 O12 Yb2 -","- C66 H40 Cl6 N4 O12 Yb2 -","1","0.5","","Carter, Korey P.; Zulato, Cecília H. F.; Cahill, Christopher L.","Exploring supramolecular assembly and luminescent behavior in a series of RE-p-chlorobenzoic acid-1,10-phenanthroline complexes","CrystEngComm","2014","16","44","10189","","10.1039/C4CE01806K","","x-ray","0.71073","MoKα","","0.0373","0.0284","","","0.0551","0.0586","","","","","","0.995","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218282","10.1082","0.0005","11.7926","0.0005","14.244","0.0007","111.419","0.003","96.559","0.003","101.088","0.002","1519.19","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H40 Cl6 Lu2 N4 O12 -","- C66 H40 Cl6 Lu2 N4 O12 -","- C66 H40 Cl6 Lu2 N4 O12 -","1","0.5","","Carter, Korey P.; Zulato, Cecília H. F.; Cahill, Christopher L.","Exploring supramolecular assembly and luminescent behavior in a series of RE-p-chlorobenzoic acid-1,10-phenanthroline complexes","CrystEngComm","2014","16","44","10189","","10.1039/C4CE01806K","","x-ray","0.71073","MoKα","","0.0664","0.0407","","","0.0588","0.0661","","","","","","0.986","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218283","10.0929","0.0008","11.8472","0.0009","14.288","0.0011","111.16","0.003","96.429","0.004","101.497","0.004","1529.3","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H40 Cl6 N4 O12 Y2 -","- C66 H40 Cl6 N4 O12 Y2 -","- C66 H40 Cl6 N4 O12 Y2 -","1","0.5","","Carter, Korey P.; Zulato, Cecília H. F.; Cahill, Christopher L.","Exploring supramolecular assembly and luminescent behavior in a series of RE-p-chlorobenzoic acid-1,10-phenanthroline complexes","CrystEngComm","2014","16","44","10189","","10.1039/C4CE01806K","","x-ray","0.71073","MoKα","","0.0696","0.0422","","","0.0744","0.083","","","","","","1.011","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218284","7.1325","0.0014","11.657","0.002","11.979","0.002","61.83","0.03","86.14","0.03","76.85","0.03","854","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H9 F4 N3 O4 -","- C18 H9 F4 N3 O4 -","- C36 H18 F8 N6 O8 -","2","1","","Meng, Xiao; Chen, Hao; Xu, Shu; Ma, Yuguo","Metal-free 1,3-dipolar cycloaddition polymerization via prearrangement of azide and alkyne in the solid state","CrystEngComm","2014","16","43","9983","","10.1039/C4CE01690D","","","0.71073","MoKα","","0.1244","0.1067","","","0.2711","0.29","","","","","","1.155","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218285","5.8306","0.0012","9.969","0.002","15.544","0.003","71.39","0.03","87.46","0.03","86.71","0.03","854.5","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H11 F4 N3 O4 -","- C19 H11 F4 N3 O4 -","- C38 H22 F8 N6 O8 -","2","1","","Meng, Xiao; Chen, Hao; Xu, Shu; Ma, Yuguo","Metal-free 1,3-dipolar cycloaddition polymerization via prearrangement of azide and alkyne in the solid state","CrystEngComm","2014","16","43","9983","","10.1039/C4CE01690D","","","0.71073","MoKα","","0.0475","0.0453","","","0.1157","0.1176","","","","","","1.093","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218286","5.653","0.004","9.661","0.008","18.613","0.014","93.602","0.015","91.807","0.014","96.604","0.014","1007","1.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H17 F4 N3 O4 -","- C22 H17 F4 N3 O4 -","- C44 H34 F8 N6 O8 -","2","1","","Meng, Xiao; Chen, Hao; Xu, Shu; Ma, Yuguo","Metal-free 1,3-dipolar cycloaddition polymerization via prearrangement of azide and alkyne in the solid state","CrystEngComm","2014","16","43","9983","","10.1039/C4CE01690D","","","0.71073","MoKα","","0.0825","0.0697","","","0.1598","0.1685","","","","","","1.142","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218287","7.5088","0.0015","10.929","0.002","12.823","0.003","112.78","0.03","93.81","0.03","105.56","0.03","917.3","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H13 F4 N3 O4 -","- C20 H13 F4 N3 O4 -","- C40 H26 F8 N6 O8 -","2","1","","Meng, Xiao; Chen, Hao; Xu, Shu; Ma, Yuguo","Metal-free 1,3-dipolar cycloaddition polymerization via prearrangement of azide and alkyne in the solid state","CrystEngComm","2014","16","43","9983","","10.1039/C4CE01690D","","","0.71073","MoKα","","0.0575","0.0523","","","0.1245","0.1291","","","","","","1.085","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218294","8.4167","0.0011","10.2057","0.0014","11.0501","0.0015","83.969","0.003","78.625","0.002","79.928","0.003","913.7","0.2","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H36 F12 Li2 N6 O8 S4 -","- C18 H36 F12 Li2 N6 O8 S4 -","- C18 H36 F12 Li2 N6 O8 S4 -","1","0.5","","Moriya, Makoto; Nomura, Kuniyoshi; Sakamoto, Wataru; Yogo, Toshinobu","Precisely controlled supramolecular ionic conduction paths and their structure‒conductivity relationships for lithium ion transport","CrystEngComm","2014","16","45","10512","","10.1039/C4CE01417K","","","0.71073","MoKα","","0.0447","0.0401","","","0.1046","0.1084","","","","","","1.048","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218295","12.4175","0.0014","9.8024","0.0011","15.7042","0.0016","90","","105.303","0.003","90","","1843.8","0.3","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H36 F12 Li2 N6 O8 S4 -","- C18 H36 F12 Li2 N6 O8 S4 -","- C36 H72 F24 Li4 N12 O16 S8 -","2","0.5","","Moriya, Makoto; Nomura, Kuniyoshi; Sakamoto, Wataru; Yogo, Toshinobu","Precisely controlled supramolecular ionic conduction paths and their structure‒conductivity relationships for lithium ion transport","CrystEngComm","2014","16","45","10512","","10.1039/C4CE01417K","","","0.71073","MoKα","","0.1295","0.0876","","","0.1839","0.2038","","","","","","1.082","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218296","11.964","0.003","10.381","0.003","16.974","0.004","90","","100.531","0.004","90","","2072.6","0.9","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H48 F12 Li2 N6 O8 S4 -","- C24 H48 F12 Li2 N6 O8 S4 -","- C48 H96 F24 Li4 N12 O16 S8 -","2","0.5","","Moriya, Makoto; Nomura, Kuniyoshi; Sakamoto, Wataru; Yogo, Toshinobu","Precisely controlled supramolecular ionic conduction paths and their structure‒conductivity relationships for lithium ion transport","CrystEngComm","2014","16","45","10512","","10.1039/C4CE01417K","","","0.71073","MoKα","","0.0362","0.0324","","","0.0877","0.091","","","","","","1.016","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218297","12.2852","0.0014","13.5924","0.0016","16.4701","0.0019","90","","90","","90","","2750.3","0.6","153","2","153","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C14 H32 F6 Li2 N4 O6 S2 -","- C14 H32 F6 Li2 N4 O6 S2 -","- C56 H128 F24 Li8 N16 O24 S8 -","4","0.5","","Moriya, Makoto; Nomura, Kuniyoshi; Sakamoto, Wataru; Yogo, Toshinobu","Precisely controlled supramolecular ionic conduction paths and their structure‒conductivity relationships for lithium ion transport","CrystEngComm","2014","16","45","10512","","10.1039/C4CE01417K","","","0.71073","MoKα","","0.0889","0.0732","","","0.2063","0.2276","","","","","","1.042","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218306","8.3326","0.0004","10.378","0.0005","16.5929","0.0009","87.46","0.003","77.784","0.003","74.322","0.003","1350.09","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H32 Cu N4 O7 -","- C28 H30 Cu N4 O7 -","- C56 H60 Cu2 N8 O14 -","2","1","","Lo, Yang-Chih; Hsu, Wayne; He, Hsiu-Yi; Hyde, Stephen T.; Proserpio, Davide M.; Chen, Jhy-Der","Structural directing roles of isomeric phenylenediacetate ligands in the formation of coordination networks based on flexible N,N′-di(3-pyridyl)suberoamide","CrystEngComm","2015","17","1","90","","10.1039/C4CE01752H","","","0.71073","MoKα","","0.1205","0.0652","","","0.167","0.2012","","","","","","1.028","","","","has coordinates,has disorder","180514","2020-10-21","18:00:00",""
"7218307","29.5458","0.0009","6.3519","0.0002","18.5588","0.0006","90","","125.32","0.002","90","","2841.88","0.17","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H34 Cu N4 O8 -","- C28 H34 Cu N4 O8 -","- C112 H136 Cu4 N16 O32 -","4","0.5","","Lo, Yang-Chih; Hsu, Wayne; He, Hsiu-Yi; Hyde, Stephen T.; Proserpio, Davide M.; Chen, Jhy-Der","Structural directing roles of isomeric phenylenediacetate ligands in the formation of coordination networks based on flexible N,N′-di(3-pyridyl)suberoamide","CrystEngComm","2015","17","1","90","","10.1039/C4CE01752H","","","0.71073","MoKα","","0.1121","0.0624","","","0.1577","0.1864","","","","","","1.009","","","","has coordinates,has disorder","180514","2020-10-21","18:00:00",""
"7218308","15.8723","0.0008","12.1103","0.0006","14.8539","0.0007","90","","90","","90","","2855.2","0.2","296","2","296","2","","","","","","","","5","P m n a","-P 2ac 2","53","","","","- C28 H34 Cu N4 O8 -","- C28 H34 Cu N4 O8 -","- C112 H136 Cu4 N16 O32 -","4","0.5","","Lo, Yang-Chih; Hsu, Wayne; He, Hsiu-Yi; Hyde, Stephen T.; Proserpio, Davide M.; Chen, Jhy-Der","Structural directing roles of isomeric phenylenediacetate ligands in the formation of coordination networks based on flexible N,N′-di(3-pyridyl)suberoamide","CrystEngComm","2015","17","1","90","","10.1039/C4CE01752H","","","0.71073","MoKα","","0.1229","0.075","","","0.1865","0.2242","","","","","","1.053","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218309","9.523","0.005","14.45","0.006","20.41","0.009","71.148","0.014","79.669","0.017","76.292","0.015","2566","2","250","2","250","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H26 Cu3 O16 S2 -","- C16 H20 Cu3 O16 S2 -","- C64 H80 Cu12 O64 S8 -","4","2","","Yoneyama, Shota; Kodama, Takeshi; Kikuchi, Koichi; Fujii, Yutaka; Kikuchi, Hikomitsu; Fujita, Wataru","Preparation, crystal structure, and magnetic properties of a copper hydroxy salt with diamond chain magnetic network","CrystEngComm","2014","16","45","10385","","10.1039/C4CE01642D","","","0.71075","MoKα","","0.1355","0.0625","","","0.1423","0.183","","","","","","1.033","","","","has coordinates,has disorder","180514","2020-10-21","18:00:00",""
"7218310","5.712","0.004","8.741","0.006","27.1","0.016","97.596","0.009","91.516","0.006","100.966","0.01","1314.8","1.5","250","","250","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H26 Cu3 O16 S2 -","- C16 H16 Cu2.5 O16 S2 -","- C32 H32 Cu5 O32 S4 -","2","1","","Yoneyama, Shota; Kodama, Takeshi; Kikuchi, Koichi; Fujii, Yutaka; Kikuchi, Hikomitsu; Fujita, Wataru","Preparation, crystal structure, and magnetic properties of a copper hydroxy salt with diamond chain magnetic network","CrystEngComm","2014","16","45","10385","","10.1039/C4CE01642D","","","0.71075","MoKα","","","0.0479","","","","0.133","","","","","","1.041","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218311","6.8581","0.0002","14.7849","0.0004","17.3015","0.0006","90","","90.966","0.002","90","","1754.06","0.09","296","","296","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H13 B F I N2 O -","- C20 H13 B F I N2 O -","- C80 H52 B4 F4 I4 N8 O4 -","4","1","","Wesela-Bauman, Grzegorz; Parsons, Simon; Serwatowski, Janusz; Woźniak, Krzysztof","Effect of high pressure on the crystal structure and charge transport properties of the (2-fluoro-3-pyridyl)(4-iodophenyl)borinic 8-oxyquinolinate complex","CrystEngComm","2014","16","47","10780","","10.1039/C4CE01730G","","","0.71073","MoKα","","0.1196","0.051","","0.1015","0.0512","0.0512","","","","","","1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218312","6.8234","0.0004","14.7074","0.0007","17.2","0.002","90","","90.814","0.007","90","","1725.9","0.2","296","","296","","","","164630","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H13 B F I N2 O -","- C20 H13 B F I N2 O -","- C80 H52 B4 F4 I4 N8 O4 -","4","1","","Wesela-Bauman, Grzegorz; Parsons, Simon; Serwatowski, Janusz; Woźniak, Krzysztof","Effect of high pressure on the crystal structure and charge transport properties of the (2-fluoro-3-pyridyl)(4-iodophenyl)borinic 8-oxyquinolinate complex","CrystEngComm","2014","16","47","10780","","10.1039/C4CE01730G","","","0.71073","MoKα","","0.0732","0.0501","","0.0671","0.0396","0.0396","","","","","","0.9999","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218313","6.6545","0.0002","14.3261","0.0005","16.7183","0.0014","90","","90.46","0.005","90","","1593.75","0.15","296","","296","","","","1085560","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H13 B F I N2 O -","- C20 H13 B F I N2 O -","- C80 H52 B4 F4 I4 N8 O4 -","4","1","","Wesela-Bauman, Grzegorz; Parsons, Simon; Serwatowski, Janusz; Woźniak, Krzysztof","Effect of high pressure on the crystal structure and charge transport properties of the (2-fluoro-3-pyridyl)(4-iodophenyl)borinic 8-oxyquinolinate complex","CrystEngComm","2014","16","47","10780","","10.1039/C4CE01730G","","","0.71073","MoKα","","0.0642","0.0354","","0.0571","0.0385","0.0385","","","","","","0.9999","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218314","6.5502","0.0004","14.1051","0.0007","16.497","0.003","90","","90.396","0.008","90","","1524.1","0.3","296","","296","","","","2037080","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H13 B F I N2 O -","- C20 H13 B F I N2 O -","- C80 H52 B4 F4 I4 N8 O4 -","4","1","","Wesela-Bauman, Grzegorz; Parsons, Simon; Serwatowski, Janusz; Woźniak, Krzysztof","Effect of high pressure on the crystal structure and charge transport properties of the (2-fluoro-3-pyridyl)(4-iodophenyl)borinic 8-oxyquinolinate complex","CrystEngComm","2014","16","47","10780","","10.1039/C4CE01730G","","","0.71073","MoKα","","0.0467","0.0326","","0.0438","0.0348","0.0348","","","","","","0.9999","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218315","6.4636","0.0002","13.8775","0.0005","16.3094","0.0016","90","","90.317","0.005","90","","1462.91","0.16","296","","296","","","","3019480","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H13 B F I N2 O -","- C20 H13 B F I N2 O -","- C80 H52 B4 F4 I4 N8 O4 -","4","1","","Wesela-Bauman, Grzegorz; Parsons, Simon; Serwatowski, Janusz; Woźniak, Krzysztof","Effect of high pressure on the crystal structure and charge transport properties of the (2-fluoro-3-pyridyl)(4-iodophenyl)borinic 8-oxyquinolinate complex","CrystEngComm","2014","16","47","10780","","10.1039/C4CE01730G","","","0.71073","MoKα","","0.0477","0.0339","","0.0413","0.0355","0.0355","","","","","","0.9998","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218316","6.4012","0.0004","13.7152","0.0009","16.187","0.003","90","","90.438","0.008","90","","1421.1","0.3","296","","296","","","","3963500","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H13 B F I N2 O -","- C20 H13 B F I N2 O -","- C80 H52 B4 F4 I4 N8 O4 -","4","1","","Wesela-Bauman, Grzegorz; Parsons, Simon; Serwatowski, Janusz; Woźniak, Krzysztof","Effect of high pressure on the crystal structure and charge transport properties of the (2-fluoro-3-pyridyl)(4-iodophenyl)borinic 8-oxyquinolinate complex","CrystEngComm","2014","16","47","10780","","10.1039/C4CE01730G","","","0.71073","MoKα","","0.0506","0.034","","0.0452","0.0367","0.0367","","","","","","0.9999","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218317","6.3469","0.0005","13.6039","0.001","16.105","0.003","90","","90.549","0.01","90","","1390.5","0.3","296","","296","","","","4882700","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H13 B F I N2 O -","- C20 H13 B F I N2 O -","- C80 H52 B4 F4 I4 N8 O4 -","4","1","","Wesela-Bauman, Grzegorz; Parsons, Simon; Serwatowski, Janusz; Woźniak, Krzysztof","Effect of high pressure on the crystal structure and charge transport properties of the (2-fluoro-3-pyridyl)(4-iodophenyl)borinic 8-oxyquinolinate complex","CrystEngComm","2014","16","47","10780","","10.1039/C4CE01730G","","","0.71073","MoKα","","0.0615","0.0392","","0.0553","0.0417","0.0417","","","","","","0.9999","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218320","5.0587","0.0004","5.0974","0.0004","24.1635","0.0019","84.859","0.002","84.33","0.002","88.194","0.002","617.38","0.08","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","DW-10-7 (3-pyridyl)-CONH-(CH2)8-NHCO-(3-pyridyl), I-(CF2)2-I","","- C22 H26 F4 I2 N4 O2 -","- C22 H26 F4 I2 N4 O2 -","- C22 H26 F4 I2 N4 O2 -","1","0.5","","Aakeröy, Christer B.; Welideniya, Dhanushi; Desper, John; Moore, Curtis","Halogen-bond driven co-crystallization of potential anti-cancer compounds: a structural study","CrystEngComm","2014","16","44","10203","","10.1039/C4CE01614A","","","0.71073","MoKα","","0.0235","0.0219","","","0.0563","0.0599","","","","","","0.989","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218321","5.0194","0.0003","5.0906","0.0003","26.5502","0.0014","85.503","0.002","85.901","0.002","88.219","0.001","674.36","0.07","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","DW-10-8 (3-pyridyl)-CONH-(CH2)8-NHCO-(3-pyridyl), I-(CF2)4-I","","- C24 H26 F8 I2 N4 O2 -","- C24 H26 F8 I2 N4 O2 -","- C24 H26 F8 I2 N4 O2 -","1","0.5","","Aakeröy, Christer B.; Welideniya, Dhanushi; Desper, John; Moore, Curtis","Halogen-bond driven co-crystallization of potential anti-cancer compounds: a structural study","CrystEngComm","2014","16","44","10203","","10.1039/C4CE01614A","","","0.71073","MoKα","","0.0168","0.0161","","","0.041","0.0414","","","","","","1.022","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218322","5.0345","0.0012","5.1049","0.0012","29.113","0.007","85.793","0.006","87.469","0.007","88.033","0.005","745.1","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","DW-10-9 (3-pyridyl)-CONH-(CH2)8-NHCO-(3-pyridyl), I-(CF2)6-I","","- C26 H26 F12 I2 N4 O2 -","- C26 H26 F12 I2 N4 O2 -","- C26 H26 F12 I2 N4 O2 -","1","0.5","","Aakeröy, Christer B.; Welideniya, Dhanushi; Desper, John; Moore, Curtis","Halogen-bond driven co-crystallization of potential anti-cancer compounds: a structural study","CrystEngComm","2014","16","44","10203","","10.1039/C4CE01614A","","","0.71073","MoKα","","0.0287","0.0281","","","0.072","0.0725","","","","","","1.131","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218323","5.0593","0.0007","5.0774","0.0007","22.229","0.003","94.513","0.005","91.986","0.004","91.522","0.004","568.66","0.14","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","DW-8-7 (3-pyridyl)-CONH-(CH2)6-NHCO-(3-pyridyl), I-(CF2)2-I","","- C20 H22 F4 I2 N4 O2 -","- C20 H22 F4 I2 N4 O2 -","- C20 H22 F4 I2 N4 O2 -","1","0.5","","Aakeröy, Christer B.; Welideniya, Dhanushi; Desper, John; Moore, Curtis","Halogen-bond driven co-crystallization of potential anti-cancer compounds: a structural study","CrystEngComm","2014","16","44","10203","","10.1039/C4CE01614A","","","0.71073","MoKα","","0.0259","0.0244","","","0.0688","0.0752","","","","","","1.183","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218324","64.445","0.006","4.9349","0.0004","9.1473","0.0008","90","","90","","90","","2909.1","0.4","120","2","120","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","DW-8-9 (3-pyridyl)-CONH-(CH2)6-NHCO-(3-pyridyl), I-(CF2)6-I","","- C24 H22 F12 I2 N4 O2 -","- C24 H22 F12 I2 N4 O2 -","- C96 H88 F48 I8 N16 O8 -","4","1","","Aakeröy, Christer B.; Welideniya, Dhanushi; Desper, John; Moore, Curtis","Halogen-bond driven co-crystallization of potential anti-cancer compounds: a structural study","CrystEngComm","2014","16","44","10203","","10.1039/C4CE01614A","","","0.71073","MoKα","","0.0496","0.0367","","","0.106","0.1164","","","","","","1.048","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218325","5.0528","0.0004","5.1104","0.0004","29.87","0.002","86.386","0.002","87.93","0.002","87.776","0.002","768.75","0.1","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","DW-8-18 (3-pyridyl)-CONH-(CH2)6-NHCO-(3-pyridyl), I-(CF2)8-I","","- C26 H22 F16 I2 N4 O2 -","- C26 H22 F16 I2 N4 O2 -","- C26 H22 F16 I2 N4 O2 -","1","0.5","","Aakeröy, Christer B.; Welideniya, Dhanushi; Desper, John; Moore, Curtis","Halogen-bond driven co-crystallization of potential anti-cancer compounds: a structural study","CrystEngComm","2014","16","44","10203","","10.1039/C4CE01614A","","","0.71073","MoKα","","0.0301","0.0273","","","0.071","0.0729","","","","","","0.975","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218326","40.059","0.005","5.6695","0.0005","9.7828","0.0012","90","","102.959","0.003","90","","2165.2","0.4","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 F4 I2 N4 O2 -","- C18 H18 F4 I2 N4 O2 -","- C72 H72 F16 I8 N16 O8 -","4","0.5","","Aakeröy, Christer B.; Welideniya, Dhanushi; Desper, John; Moore, Curtis","Halogen-bond driven co-crystallization of potential anti-cancer compounds: a structural study","CrystEngComm","2014","16","44","10203","","10.1039/C4CE01614A","","","0.71073","MoKα","","0.0179","0.0142","","","0.0342","0.0361","","","","","","1.052","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218327","4.9772","0.0012","10.655","0.003","12.169","0.003","71.067","0.002","88.865","0.003","86.924","0.002","609.6","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H18 F8 I2 N4 O2 -","- C20 H18 F8 I2 N4 O2 -","- C20 H18 F8 I2 N4 O2 -","1","0.5","","Aakeröy, Christer B.; Welideniya, Dhanushi; Desper, John; Moore, Curtis","Halogen-bond driven co-crystallization of potential anti-cancer compounds: a structural study","CrystEngComm","2014","16","44","10203","","10.1039/C4CE01614A","","","0.71073","MoKα","","0.0269","0.0225","","","0.0498","0.0525","","","","","","1.021","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218328","49.953","0.003","5.5707","0.0003","9.7257","0.0006","90","","95.234","0.002","90","","2695.1","0.3","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","DW-6-9 (3-pyridyl)-COHN-(CH2)4-NHCO-(3-pyridyl), I-(CF2)6-I","","- C22 H18 F12 I2 N4 O2 -","- C22 H18 F12 I2 N4 O2 -","- C88 H72 F48 I8 N16 O8 -","4","0.5","","Aakeröy, Christer B.; Welideniya, Dhanushi; Desper, John; Moore, Curtis","Halogen-bond driven co-crystallization of potential anti-cancer compounds: a structural study","CrystEngComm","2014","16","44","10203","","10.1039/C4CE01614A","","","0.71073","MoKα","","0.0233","0.022","","","0.0567","0.0574","","","","","","1.033","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218329","54.569","0.003","5.6337","0.0003","9.7038","0.0006","90","","92.37","0.002","90","","2980.6","0.3","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","DW-6-18 (3-pyridyl)-COHN-(CH2)4-NHCO-(3-pyridyl), I-(CF2)8-I","","- C24 H18 F16 I2 N4 O2 -","- C24 H18 F16 I2 N4 O2 -","- C96 H72 F64 I8 N16 O8 -","4","0.5","","Aakeröy, Christer B.; Welideniya, Dhanushi; Desper, John; Moore, Curtis","Halogen-bond driven co-crystallization of potential anti-cancer compounds: a structural study","CrystEngComm","2014","16","44","10203","","10.1039/C4CE01614A","","","0.71073","MoKα","","0.0326","0.0266","","","0.0618","0.0641","","","","","","1.07","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218330","12.7557","0.0006","9.5667","0.0005","9.7394","0.0005","90","","110.988","0.001","90","","1109.65","0.1","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","DW-3-8 (3-pyridyl)-CONH-(CH2)4-NHCO-(3-pyridyl), I-(CF2)4-I","","- C18 H14 F8 I2 N4 O2 -","- C18 H14 F8 I2 N4 O2 -","- C36 H28 F16 I4 N8 O4 -","2","0.5","","Aakeröy, Christer B.; Welideniya, Dhanushi; Desper, John; Moore, Curtis","Halogen-bond driven co-crystallization of potential anti-cancer compounds: a structural study","CrystEngComm","2014","16","44","10203","","10.1039/C4CE01614A","","","0.71073","MoKα","","0.0285","0.0252","","","0.0607","0.0631","","","","","","1.069","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218331","13.7352","0.0008","9.3958","0.0005","9.8519","0.0006","90","","103.888","0.002","90","","1234.25","0.12","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","DW-3-9 (3-pyridyl)-CONH-(CH2)2-NHCO-(3-pyridyl), I-(CF2)6-I","","- C20 H14 F12 I2 N4 O2 -","- C20 H14 F12 I2 N4 O2 -","- C40 H28 F24 I4 N8 O4 -","2","0.5","","Aakeröy, Christer B.; Welideniya, Dhanushi; Desper, John; Moore, Curtis","Halogen-bond driven co-crystallization of potential anti-cancer compounds: a structural study","CrystEngComm","2014","16","44","10203","","10.1039/C4CE01614A","","","0.71073","MoKα","","0.0242","0.0211","","","0.0472","0.0484","","","","","","1.034","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218332","15.1894","0.0018","9.3947","0.0011","9.8668","0.0011","90","","95.169","0.004","90","","1402.3","0.3","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","DW-3-18 (3-pyridyl)-CONH-(CH2)2-NHCO-(3-pyridyl), I-(CF2)8-I","","- C22 H14 F16 I2 N4 O2 -","- C22 H14 F16 I2 N4 O2 -","- C44 H28 F32 I4 N8 O4 -","2","0.5","","Aakeröy, Christer B.; Welideniya, Dhanushi; Desper, John; Moore, Curtis","Halogen-bond driven co-crystallization of potential anti-cancer compounds: a structural study","CrystEngComm","2014","16","44","10203","","10.1039/C4CE01614A","","","0.71073","MoKα","","0.0335","0.03","","","0.0897","0.1023","","","","","","1.213","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218342","9.2374","0.0013","13.1931","0.0019","13.996","0.002","62.333","0.004","87.519","0.005","89.003","0.005","1509.2","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H72 Cl10 Cu N8 O4 -","- C54 H72 Cl10 Cu N8 O4 -","- C54 H72 Cl10 Cu N8 O4 -","1","0.5","","Li, Lei; Maddalena, Francesco; Oliveros, Malena; Caironi, Mario; Guo, Fang; Martí-Rujas, Javier","A second sphere coordination adduct containing one-dimensional water/methanol channels: X-ray structures, thermal stability and single crystal impedance spectroscopy analysis","CrystEngComm","2014","16","47","10888","","10.1039/C4CE01570C","","","1.54178","CuKα","","0.0465","0.0407","","","0.1105","0.1121","","","","","","1.056","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218343","9.3862","0.0016","13.686","0.002","13.827","0.002","60.772","0.011","85.924","0.013","85.375","0.014","1544","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","4,4-methylene dianiline copper chloride","","- C53 H66 Cl12 Cu N8 -","- C53.002 H66.004 Cl12.004 Cu N8 -","- C53.002 H66.004 Cl12.004 Cu N8 -","1","0.5","","Li, Lei; Maddalena, Francesco; Oliveros, Malena; Caironi, Mario; Guo, Fang; Martí-Rujas, Javier","A second sphere coordination adduct containing one-dimensional water/methanol channels: X-ray structures, thermal stability and single crystal impedance spectroscopy analysis","CrystEngComm","2014","16","47","10888","","10.1039/C4CE01570C","","","1.54178","CuKα","","0.1912","0.1499","","","0.3867","0.4092","","","","","","1.524","","","","has coordinates,has disorder","180514","2020-10-21","18:00:00",""
"7218344","27.4518","0.0011","27.4518","0.0011","18.2099","0.0008","90","","90","","90","","13723","1","100","2","100","2","","","","","","","","4","P 4 c c","P 4 -2c","103","","5,10,15,20-tetra(4-hydroxyphenyl)-21,23H-porphyrin nitrobenzene hexasolvate","","- C80 H60 N10 O16 -","- C80 H60 N10 O16 -","- C640 H480 N80 O128 -","8","1","","Seidel, Rüdiger W.; Goddard, Richard; Oppel, Iris M.","Isomorphous free-base, Ni(ii)- and Cu(ii)-5,10,15,20-tetra(4-hydroxyphenyl)porphyrin nitrobenzene hexasolvates with tetragonal 3D hydrogen-bonded network structures","CrystEngComm","2014","16","45","10505","","10.1039/C4CE01881H","","","1.54178","CuKα","","0.0845","0.0776","","","0.2015","0.2099","","","","","","1.036","","","","has coordinates,has disorder","180514","2020-10-21","18:00:00",""
"7218345","27.3385","0.0007","27.3385","0.0007","18.3255","0.0008","90","","90","","90","","13696.4","0.8","108","2","108","2","","","","","","","","5","P 4 c c","P 4 -2c","103","","5,10,15,20-tetra(4-hydroxyphenyl)porphyrinatonickel(II) nitrobenzene hexasolvate","","- C80 H58 N10 Ni O16 -","- C80 H58 N10 Ni O16 -","- C640 H464 N80 Ni8 O128 -","8","1","","Seidel, Rüdiger W.; Goddard, Richard; Oppel, Iris M.","Isomorphous free-base, Ni(ii)- and Cu(ii)-5,10,15,20-tetra(4-hydroxyphenyl)porphyrin nitrobenzene hexasolvates with tetragonal 3D hydrogen-bonded network structures","CrystEngComm","2014","16","45","10505","","10.1039/C4CE01881H","","","0.71073","MoKα","","0.1655","0.0781","","","0.1737","0.218","","","","","","1.02","","","","has coordinates,has disorder","180514","2020-10-21","18:00:00",""
"7218346","27.3921","0.0007","27.3921","0.0007","18.3185","0.0009","90","","90","","90","","13744.9","0.8","108","2","108","2","","","","","","","","5","P 4 c c","P 4 -2c","103","","5,10,15,20-tetra(4-hydroxyphenyl)porphyrinatocopper(II) nitrobenzene hexasolvate","","- C80 H58 Cu N10 O16 -","- C80 H58 Cu N10 O16 -","- C640 H464 Cu8 N80 O128 -","8","1","","Seidel, Rüdiger W.; Goddard, Richard; Oppel, Iris M.","Isomorphous free-base, Ni(ii)- and Cu(ii)-5,10,15,20-tetra(4-hydroxyphenyl)porphyrin nitrobenzene hexasolvates with tetragonal 3D hydrogen-bonded network structures","CrystEngComm","2014","16","45","10505","","10.1039/C4CE01881H","","","0.71073","MoKα","","0.1366","0.0769","","","0.1768","0.2131","","","","","","1.024","","","","has coordinates,has disorder","180514","2020-10-21","18:00:00",""
"7218347","7.3275","0.0005","8.5017","0.0006","13.4868","0.0009","84.83","0.006","86.312","0.006","74.381","0.006","805.16","0.1","123","0.1","123","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C18 H36 F12 I4 N4 P2 -","- C18 H36 F12 I4 N4 P2 -","- C18 H36 F12 I4 N4 P2 -","1","0.5","","Peuronen, Anssi; Rinta, Heikki; Lahtinen, Manu","N⋯I halogen bonding supported stabilization of a discrete pseudo-linear [I12]2−polyiodide","CrystEngComm","2015","17","8","1736","","10.1039/C4CE01866D","","","1.54184","CuKα","","0.0692","0.0643","","","0.175","0.1783","","","","","","1.123","","","","has coordinates,has disorder","180514","2020-10-21","18:00:00",""
"7218348","9.2353","0.0004","9.5741","0.0004","15.2398","0.0007","92.225","0.004","94.475","0.004","92.593","0.004","1340.8","0.1","123.01","0.1","123.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C18 H36 I20 N4 -","- C18 H36 I20 N4 -","- C18 H36 I20 N4 -","1","0.5","","Peuronen, Anssi; Rinta, Heikki; Lahtinen, Manu","N⋯I halogen bonding supported stabilization of a discrete pseudo-linear [I12]2−polyiodide","CrystEngComm","2015","17","8","1736","","10.1039/C4CE01866D","","x-ray","0.71073","MoKα","","0.0406","0.033","","","0.0617","0.0666","","","","","","1.016","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218349","23.6028","0.0006","25.1893","0.0008","7.6207","0.0002","90","","90","","90","","4530.8","0.2","298","","298","","","","","","","","","4","P b a m","-P 2 2ab","55","","","","- C18 H36 I6 N4 -","- C18 H36 I6 N4 -","- C108 H216 I36 N24 -","6","0.75","","Peuronen, Anssi; Rinta, Heikki; Lahtinen, Manu","N⋯I halogen bonding supported stabilization of a discrete pseudo-linear [I12]2−polyiodide","CrystEngComm","2015","17","8","1736","","10.1039/C4CE01866D","","","0.71073","MoKα","","0.0886","0.0543","","","0.0878","0.1011","","","","","","1.119","","","","has coordinates,has disorder","180514","2020-10-21","18:00:00",""
"7218350","28.9478","0.0014","14.3498","0.0009","6.3034","0.0004","90","","90","","90","","2618.4","0.3","123","","123","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C18 H36 I4 N4 -","- C18 H36 I4 N4 -","- C72 H144 I16 N16 -","4","0.5","","Peuronen, Anssi; Rinta, Heikki; Lahtinen, Manu","N⋯I halogen bonding supported stabilization of a discrete pseudo-linear [I12]2−polyiodide","CrystEngComm","2015","17","8","1736","","10.1039/C4CE01866D","","","0.71073","MoKα","","0.0625","0.0563","","","0.1465","0.1497","","","","","","1.199","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218351","8.1603","0.0006","9.2796","0.0008","11.8828","0.0005","96.851","0.005","90.584","0.005","111.27","0.007","831.14","0.11","123","0.1","123","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C20 H40 F12 I4 N4 P2 -","- C20 H40 F12 I4 N4 P2 -","- C20 H40 F12 I4 N4 P2 -","1","0.5","","Peuronen, Anssi; Rinta, Heikki; Lahtinen, Manu","N⋯I halogen bonding supported stabilization of a discrete pseudo-linear [I12]2−polyiodide","CrystEngComm","2015","17","8","1736","","10.1039/C4CE01866D","","","1.54184","CuKα","","0.0512","0.0442","","","0.1093","0.1167","","","","","","1.056","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218352","16.8096","0.0002","15.3277","0.0001","22.8613","0.0003","90","","90","","90","","5890.27","0.11","123","","123","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H40 I6 N4 -","- C20 H40 I6 N4 -","- C160 H320 I48 N32 -","8","1","","Peuronen, Anssi; Rinta, Heikki; Lahtinen, Manu","N⋯I halogen bonding supported stabilization of a discrete pseudo-linear [I12]2−polyiodide","CrystEngComm","2015","17","8","1736","","10.1039/C4CE01866D","","","0.71073","MoKα","","0.0676","0.0582","","","0.1562","0.1649","","","","","","1.052","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218353","8.8468","0.0005","9.2378","0.0004","13.5621","0.0008","102.188","0.003","92.217","0.002","106.349","0.003","1033.87","0.1","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H40 I12 N4 -","- C20 H40 I12 N4 -","- C20 H40 I12 N4 -","1","0.5","","Peuronen, Anssi; Rinta, Heikki; Lahtinen, Manu","N⋯I halogen bonding supported stabilization of a discrete pseudo-linear [I12]2−polyiodide","CrystEngComm","2015","17","8","1736","","10.1039/C4CE01866D","","","0.71073","MoKα","","0.0514","0.0408","","","0.0737","0.078","","","","","","1.129","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218354","11.378","0.005","12.184","0.005","23.328","0.005","83.715","0.005","81.99","0.005","70.714","0.005","3015.7","1.9","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C44 H70 Cu5 Eu2 N20 O95 Si2 W22 -","- C44 H36 Cu5 Eu2 N20 O95 Si2 W22 -","- C44 H36 Cu5 Eu2 N20 O95 Si2 W22 -","1","0.5","","Zhou, Wanli; Zhang, Zheyu; Peng, Jun; Wang, Xiang; Shi, Zhenyu; Li, Guangzhe","A series of hybrids with a framework constructed from {‒SiW11‒Ln‒SiW11‒}nchains and {Cu/bimpy} ribbons","CrystEngComm","2014","16","47","10893","","10.1039/C4CE01409J","","","0.71069","MoKα","","0.0715","0.0511","","","0.1091","0.1312","","","","","","1.046","","","","has coordinates,has disorder","180514","2020-10-21","18:00:00",""
"7218355","11.384","0.005","12.189","0.005","23.331","0.005","83.75","0.005","82.022","0.005","70.697","0.005","3019","1.9","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C44 H66 Cu5 N20 O93 Si2 Sm2 W22 -","- C44 H36 Cu5 N20 O93 Si2 Sm2 W22 -","- C44 H36 Cu5 N20 O93 Si2 Sm2 W22 -","1","0.5","","Zhou, Wanli; Zhang, Zheyu; Peng, Jun; Wang, Xiang; Shi, Zhenyu; Li, Guangzhe","A series of hybrids with a framework constructed from {‒SiW11‒Ln‒SiW11‒}nchains and {Cu/bimpy} ribbons","CrystEngComm","2014","16","47","10893","","10.1039/C4CE01409J","","","0.71069","MoKα","","0.083","0.0584","","","0.1584","0.185","","","","","","1.017","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218356","11.458","0.0016","12.263","0.0018","24.833","0.004","94.768","0.002","100.812","0.002","114.139","0.002","3077.5","0.8","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C44 H70 Cu5 Ho2 N20 O95 Si2 W22 -","- C44 H36 Cu5 Ho2 N20 O95 Si2 W22 -","- C44 H36 Cu5 Ho2 N20 O95 Si2 W22 -","1","0.5","","Zhou, Wanli; Zhang, Zheyu; Peng, Jun; Wang, Xiang; Shi, Zhenyu; Li, Guangzhe","A series of hybrids with a framework constructed from {‒SiW11‒Ln‒SiW11‒}nchains and {Cu/bimpy} ribbons","CrystEngComm","2014","16","47","10893","","10.1039/C4CE01409J","","","0.71069","MoKα","","0.0904","0.0586","","","0.1436","0.1669","","","","","","1.025","","","","has coordinates,has disorder","180514","2020-10-21","18:00:00",""
"7218357","11.335","0.005","12.152","0.005","23.319","0.005","83.543","0.005","81.741","0.005","71.112","0.005","3000.1","1.9","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C44 H70 Cu5 N20 O95 Si2 W22 Y2 -","- C44 H36 Cu5 N20 O95 Si2 W22 Y2 -","- C44 H36 Cu5 N20 O95 Si2 W22 Y2 -","1","0.5","","Zhou, Wanli; Zhang, Zheyu; Peng, Jun; Wang, Xiang; Shi, Zhenyu; Li, Guangzhe","A series of hybrids with a framework constructed from {‒SiW11‒Ln‒SiW11‒}nchains and {Cu/bimpy} ribbons","CrystEngComm","2014","16","47","10893","","10.1039/C4CE01409J","","","0.71069","MoKα","","0.0808","0.0506","","","0.1232","0.1439","","","","","","1.057","","","","has coordinates,has disorder","180514","2020-10-21","18:00:00",""
"7218358","11.322","0.005","12.139","0.005","23.311","0.005","83.586","0.005","81.753","0.005","71.169","0.005","2993.6","1.9","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C44 H68 Ce2 Cu5 N20 O94 Si2 W22 -","- C44 H36 Ce2 Cu5 N20 O94 Si2 W22 -","- C44 H36 Ce2 Cu5 N20 O94 Si2 W22 -","1","0.5","","Zhou, Wanli; Zhang, Zheyu; Peng, Jun; Wang, Xiang; Shi, Zhenyu; Li, Guangzhe","A series of hybrids with a framework constructed from {‒SiW11‒Ln‒SiW11‒}nchains and {Cu/bimpy} ribbons","CrystEngComm","2014","16","47","10893","","10.1039/C4CE01409J","","","0.71069","MoKα","","0.0705","0.0502","","","0.1169","0.1254","","","","","","1.033","","","","has coordinates,has disorder","180514","2020-10-21","18:00:00",""
"7218359","10.765","0.002","11.596","0.003","12.705","0.003","77.594","0.011","65.275","0.011","65.336","0.011","1307.6","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H22 F3 N5 O2 S -","- C27 H22 F3 N5 O2 S -","- C54 H44 F6 N10 O4 S2 -","2","1","","Wang, Xiaojuan; Zhang, Qi; Jiang, Linglei; Xu, Yun; Mei, Xuefeng","Isostructurality in six celecoxib co-crystals introduced by solvent inclusion","CrystEngComm","2014","16","48","10959","","10.1039/C4CE01854K","","","0.71073","MoKα","","0.0855","0.059","","","0.172","0.1915","","","","","","1.056","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218360","9.1324","0.0002","11.6423","0.0003","14.2374","0.0003","92.939","0.002","99.316","0.002","110.239","0.002","1392.12","0.06","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H24 F3 N5 O2 S -","- C29 H24 F3 N5 O2 S -","- C58 H48 F6 N10 O4 S2 -","2","1","","Wang, Xiaojuan; Zhang, Qi; Jiang, Linglei; Xu, Yun; Mei, Xuefeng","Isostructurality in six celecoxib co-crystals introduced by solvent inclusion","CrystEngComm","2014","16","48","10959","","10.1039/C4CE01854K","","","0.71073","MoKα","","0.1641","0.0624","","","0.143","0.1832","","","","","","0.96","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218361","7.989","0.0008","11.3277","0.0011","15.7937","0.0015","78.78","0.006","81.807","0.006","83.993","0.006","1383.3","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H26 F3 N5 O2 S -","- C29 H26 F3 N5 O2 S -","- C58 H52 F6 N10 O4 S2 -","2","1","","Wang, Xiaojuan; Zhang, Qi; Jiang, Linglei; Xu, Yun; Mei, Xuefeng","Isostructurality in six celecoxib co-crystals introduced by solvent inclusion","CrystEngComm","2014","16","48","10959","","10.1039/C4CE01854K","","","0.71073","MoKα","","0.0961","0.0626","","","0.1597","0.1813","","","","","","1.013","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218362","21.71","0.004","9.5377","0.0016","27.024","0.005","90","","92.813","0.008","90","","5588.9","1.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28.5 H25 F3 N5 O2.5 S -","- C28.5 H25 F3 N5 O2.5 S -","- C228 H200 F24 N40 O20 S8 -","8","1","","Wang, Xiaojuan; Zhang, Qi; Jiang, Linglei; Xu, Yun; Mei, Xuefeng","Isostructurality in six celecoxib co-crystals introduced by solvent inclusion","CrystEngComm","2014","16","48","10959","","10.1039/C4CE01854K","","","0.71073","MoKα","","0.0811","0.0636","","","0.176","0.1955","","","","","","1.04","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7218363","21.952","0.004","9.4776","0.0017","27.112","0.004","90","","92.885","0.012","90","","5633.6","1.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H26 F3 N5 O2.5 S -","- C29 H26 F3 N5 O2.5 S -","- C232 H208 F24 N40 O20 S8 -","8","1","","Wang, Xiaojuan; Zhang, Qi; Jiang, Linglei; Xu, Yun; Mei, Xuefeng","Isostructurality in six celecoxib co-crystals introduced by solvent inclusion","CrystEngComm","2014","16","48","10959","","10.1039/C4CE01854K","","","0.71073","MoKα","","0.0996","0.0578","","","0.1318","0.1529","","","","","","1.01","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7218364","21.9683","0.0005","9.4685","0.0002","27.2121","0.0006","90","","93.42","0.001","90","","5650.2","0.2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H26 F3 N5 O3 S -","- C29 H26 F3 N5 O3 S -","- C232 H208 F24 N40 O24 S8 -","8","1","","Wang, Xiaojuan; Zhang, Qi; Jiang, Linglei; Xu, Yun; Mei, Xuefeng","Isostructurality in six celecoxib co-crystals introduced by solvent inclusion","CrystEngComm","2014","16","48","10959","","10.1039/C4CE01854K","","","0.71073","MoKα","","0.1109","0.0642","","","0.1725","0.2","","","","","","1.044","","","","has coordinates,has disorder","180514","2020-10-21","18:00:00",""
"7218365","21.3705","0.0011","10.0269","0.0004","27.7028","0.0011","90","","91.927","0.004","90","","5932.8","0.5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30.5 H27 F3 N5 O2.5 S -","- C30.5 H27 F3 N5 O2.5 S -","- C244 H216 F24 N40 O20 S8 -","8","1","","Wang, Xiaojuan; Zhang, Qi; Jiang, Linglei; Xu, Yun; Mei, Xuefeng","Isostructurality in six celecoxib co-crystals introduced by solvent inclusion","CrystEngComm","2014","16","48","10959","","10.1039/C4CE01854K","","","0.71073","MoKα","","0.0839","0.0634","","","0.1728","0.1899","","","","","","1.139","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7218366","21.606","0.003","10.0057","0.0016","27.794","0.005","90","","91.919","0.006","90","","6005.2","1.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H28 F3 N5 O2.5 S -","- C31 H28 F3 N5 O2.5 S -","- C248 H224 F24 N40 O20 S8 -","8","1","","Wang, Xiaojuan; Zhang, Qi; Jiang, Linglei; Xu, Yun; Mei, Xuefeng","Isostructurality in six celecoxib co-crystals introduced by solvent inclusion","CrystEngComm","2014","16","48","10959","","10.1039/C4CE01854K","","","0.71073","MoKα","","0.2142","0.0823","","","0.2226","0.2987","","","","","","1.012","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7218367","21.5985","0.0015","9.937","0.0007","28.061","0.002","90","","92.248","0.003","90","","6017.9","0.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H28 F3 N5 O3 S -","- C31 H28 F3 N5 O3 S -","- C248 H224 F24 N40 O24 S8 -","8","1","","Wang, Xiaojuan; Zhang, Qi; Jiang, Linglei; Xu, Yun; Mei, Xuefeng","Isostructurality in six celecoxib co-crystals introduced by solvent inclusion","CrystEngComm","2014","16","48","10959","","10.1039/C4CE01854K","","","0.71073","MoKα","","0.1288","0.0818","","","0.2448","0.2803","","","","","","1.072","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218368","12.9273","0.0011","9.3874","0.0009","18.211","0.0016","90","","107.861","0.004","90","","2103.5","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H34 Br2 Co3 N4 O12 -","- C36 H34 Br2 Co3 N4 O12 -","- C72 H68 Br4 Co6 N8 O24 -","2","0.5","","Xu, Ling; Liu, Bing; Liu, Sheng-Xian; Jiao, Huan; de Castro, Baltazar; Cunha-Silva, Luís","The influence of 1-alkyl-3-methyl imidazolium ionic liquids on a series of cobalt-1,4-benzenedicarboxylate metal‒organic frameworks","CrystEngComm","2014","16","46","10649","","10.1039/C4CE01722F","","","0.71073","MoKα","","0.112","0.0774","","","0.195","0.2066","","","","","","1.006","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218369","12.9773","0.0006","9.4496","0.0004","18.231","0.0009","90","","108.237","0.002","90","","2123.38","0.17","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H38 Br2 Co3 N4 O12 -","- C38 H38 Br2 Co3 N4 O12 -","- C76 H76 Br4 Co6 N8 O24 -","2","0.5","","Xu, Ling; Liu, Bing; Liu, Sheng-Xian; Jiao, Huan; de Castro, Baltazar; Cunha-Silva, Luís","The influence of 1-alkyl-3-methyl imidazolium ionic liquids on a series of cobalt-1,4-benzenedicarboxylate metal‒organic frameworks","CrystEngComm","2014","16","46","10649","","10.1039/C4CE01722F","","","0.71073","MoKα","","0.0458","0.0321","","","0.0742","0.0822","","","","","","0.952","","","","has coordinates,has disorder","180514","2020-10-21","18:00:00",""
"7218370","13.0822","0.0012","9.7472","0.0008","18.0158","0.0016","90","","108.963","0.003","90","","2172.6","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H42 Br2 Co3 N4 O12 -","- C40 H42 Br2 Co3 N4 O12 -","- C80 H84 Br4 Co6 N8 O24 -","2","0.5","","Xu, Ling; Liu, Bing; Liu, Sheng-Xian; Jiao, Huan; de Castro, Baltazar; Cunha-Silva, Luís","The influence of 1-alkyl-3-methyl imidazolium ionic liquids on a series of cobalt-1,4-benzenedicarboxylate metal‒organic frameworks","CrystEngComm","2014","16","46","10649","","10.1039/C4CE01722F","","","0.71073","MoKα","","0.0849","0.0474","","","0.0994","0.1142","","","","","","1.06","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218371","33.093","0.003","9.6403","0.0009","18.513","0.0019","90","","92.954","0.005","90","","5898.3","1","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H50 Co3 N4 O16 -","- C50 H50 Co3 N4 O16 -","- C200 H200 Co12 N16 O64 -","4","0.5","","Xu, Ling; Liu, Bing; Liu, Sheng-Xian; Jiao, Huan; de Castro, Baltazar; Cunha-Silva, Luís","The influence of 1-alkyl-3-methyl imidazolium ionic liquids on a series of cobalt-1,4-benzenedicarboxylate metal‒organic frameworks","CrystEngComm","2014","16","46","10649","","10.1039/C4CE01722F","","","0.71073","MoKα","","0.0939","0.068","","","0.1929","0.2061","","","","","","1.007","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218388","8.9605","0.0002","10.9173","0.0003","12.2318","0.0003","90","","102.135","0.002","90","","1169.83","0.05","120","0.14","120","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C10 H16 N3 O P -","- C10 H16 N3 O P -","- C40 H64 N12 O4 P4 -","4","1","","Pourayoubi, Mehrdad; Toghraee, Maryam; Zhu, Jianfeng; Dušek, Michal; Bereciartua, Pablo J.; Eigner, Václav","Database analysis of hydrogen bond patterns in phosphoric triamides completed with seven new compounds: a crystallographic and15N NMR study","CrystEngComm","2014","16","47","10870","","10.1039/C4CE01793E","","x-ray","0.7107","MoKα","","0.0452","0.0334","","","0.0404","0.0411","","","","2.33","2.33","2.15","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218389","9.3055","0.0003","10.8856","0.0003","12.9523","0.0004","90","","93.386","0.002","90","","1309.73","0.07","120","0.14","120","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C12 H20 N3 O P -","- C12 H20 N3 O P -","- C48 H80 N12 O4 P4 -","4","1","","Pourayoubi, Mehrdad; Toghraee, Maryam; Zhu, Jianfeng; Dušek, Michal; Bereciartua, Pablo J.; Eigner, Václav","Database analysis of hydrogen bond patterns in phosphoric triamides completed with seven new compounds: a crystallographic and15N NMR study","CrystEngComm","2014","16","47","10870","","10.1039/C4CE01793E","","x-ray","1.5418","CuKα","","0.0361","0.0303","","","0.0383","0.0391","","","","2.31","2.31","2.19","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218390","10.5318","0.0003","9.1502","0.0003","40.9969","0.001","90","","90","","90","","3950.8","0.2","120","0.1","120","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H26 N3 O P -","- C22 H26 N3 O P -","- C176 H208 N24 O8 P8 -","8","1","","Pourayoubi, Mehrdad; Toghraee, Maryam; Zhu, Jianfeng; Dušek, Michal; Bereciartua, Pablo J.; Eigner, Václav","Database analysis of hydrogen bond patterns in phosphoric triamides completed with seven new compounds: a crystallographic and15N NMR study","CrystEngComm","2014","16","47","10870","","10.1039/C4CE01793E","","x-ray","1.5418","CuKα","","0.0426","0.0316","","","0.039","0.0399","","","","2.11","2.11","1.93","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218391","36.2225","0.0016","36.2225","0.0016","5.4306","0.0002","90","","90","","90","","7125.3","0.5","120","0.1","120","","","","","","","","","5","I 41/a :1","I 4bw -1bw","88","","","","- C20 H22 N3 O P -","- C20 H22 N3 O P -","- C320 H352 N48 O16 P16 -","16","1","","Pourayoubi, Mehrdad; Toghraee, Maryam; Zhu, Jianfeng; Dušek, Michal; Bereciartua, Pablo J.; Eigner, Václav","Database analysis of hydrogen bond patterns in phosphoric triamides completed with seven new compounds: a crystallographic and15N NMR study","CrystEngComm","2014","16","47","10870","","10.1039/C4CE01793E","","x-ray","1.5418","CuKα","","0.0617","0.0407","","","0.0433","0.046","","","","1.9","1.9","1.73","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218392","9.4194","0.0002","9.5502","0.0002","10.1063","0.0003","106.381","0.002","91.21","0.002","115.19","0.002","778.78","0.04","119.8","0.3","119.8","","","","","","","","","7","P -1","-P 1","2","","","","- C10 H22 Cl2 N3 O2 P Sn0 -","- C10 H22 Cl2 N3 O2 P -","- C20 H44 Cl4 N6 O4 P2 -","2","1","","Pourayoubi, Mehrdad; Toghraee, Maryam; Zhu, Jianfeng; Dušek, Michal; Bereciartua, Pablo J.; Eigner, Václav","Database analysis of hydrogen bond patterns in phosphoric triamides completed with seven new compounds: a crystallographic and15N NMR study","CrystEngComm","2014","16","47","10870","","10.1039/C4CE01793E","","x-ray","0.7107","MoKα","","0.0365","0.0289","","","0.0824","0.0856","","","","1.48","1.48","1.41","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218393","11.3283","0.0003","11.3283","0.0003","14.4747","0.0003","90","","90","","90","","1857.54","0.08","119.8","0.6","119.8","","","","","","","","","6","P 43","P 4cw","78","","","","- C14 H26 Cl2 N3 O2 P -","- C14 H26 Cl2 N3 O2 P -","- C56 H104 Cl8 N12 O8 P4 -","4","1","","Pourayoubi, Mehrdad; Toghraee, Maryam; Zhu, Jianfeng; Dušek, Michal; Bereciartua, Pablo J.; Eigner, Václav","Database analysis of hydrogen bond patterns in phosphoric triamides completed with seven new compounds: a crystallographic and15N NMR study","CrystEngComm","2014","16","47","10870","","10.1039/C4CE01793E","","x-ray","0.7107","MoKα","","0.049","0.0336","","","0.03","0.0316","","","","1.46","1.46","1.4","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218394","13.2836","0.0003","9.9293","0.0002","17.5975","0.0005","90","","109.596","0.002","90","","2186.62","0.09","119.9","0.6","119.9","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H28 Cl2 N3 O2 P -","- C19 H28 Cl2 N3 O2 P -","- C76 H112 Cl8 N12 O8 P4 -","4","1","","Pourayoubi, Mehrdad; Toghraee, Maryam; Zhu, Jianfeng; Dušek, Michal; Bereciartua, Pablo J.; Eigner, Václav","Database analysis of hydrogen bond patterns in phosphoric triamides completed with seven new compounds: a crystallographic and15N NMR study","CrystEngComm","2014","16","47","10870","","10.1039/C4CE01793E","","x-ray","0.7107","MoKα","","0.0453","0.0303","","","0.0332","0.0348","","","","1.88","1.88","1.74","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218395","11.3453","0.0004","12.3967","0.0004","25.1236","0.0008","94.263","0.002","98.121","0.003","116.378","0.003","3096.2","0.2","120","0.14","120","","","","","","","","","6","P -1","-P 1","2","","","","- C35 H32 Cl2 N3 O2 P -","- C35 H32 Cl2 N3 O2 P -","- C140 H128 Cl8 N12 O8 P4 -","4","2","","Pourayoubi, Mehrdad; Toghraee, Maryam; Zhu, Jianfeng; Dušek, Michal; Bereciartua, Pablo J.; Eigner, Václav","Database analysis of hydrogen bond patterns in phosphoric triamides completed with seven new compounds: a crystallographic and15N NMR study","CrystEngComm","2014","16","47","10870","","10.1039/C4CE01793E","","x-ray","1.5418","CuKα","","0.0387","0.0296","","","0.0656","0.0698","","","","1.44","1.44","1.37","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218404","7.1884","0.0002","10.329","0.0003","12.3618","0.0004","90","","90","","90","","917.85","0.05","293","2","293","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- O11 P Rb V2 -","- O11 P Rb V2 -","- O44 P4 Rb4 V8 -","4","1","","Gautier, R.; Auguste, S.; Clevers, S.; Dupray, V.; Coquerel, G.; Le Fur, E.","Influence of the cation size on the second harmonic generation response of chiral A(VO2)2(PO4)·3H2O (A = K+, NH4+and Rb+)","CrystEngComm","2014","16","47","10902","","10.1039/C4CE01847H","","x-ray","0.71069","MoKα","","0.0537","0.0386","","","0.0702","0.0748","","","","","","1.161","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218405","7.1203","0.0001","10.1782","0.0002","12.3477","0.0003","90","","90","","90","","894.86","0.03","293","2","293","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- K O11 P V2 -","- K O11 P V2 -","- K4 O44 P4 V8 -","4","1","","Gautier, R.; Auguste, S.; Clevers, S.; Dupray, V.; Coquerel, G.; Le Fur, E.","Influence of the cation size on the second harmonic generation response of chiral A(VO2)2(PO4)·3H2O (A = K+, NH4+and Rb+)","CrystEngComm","2014","16","47","10902","","10.1039/C4CE01847H","","x-ray","0.71069","MoKα","","0.0292","0.0263","","","0.0679","0.0687","","","","","","1.217","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218406","11.5887","0.0003","13.7676","0.0004","16.8921","0.0005","90","","90","","90","","2695.11","0.13","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H12 N2 O5 U -","- C12 H11 N2 O5 U -","- C96 H88 N16 O40 U8 -","8","1","","Xu, Xue-Ting; Hou, Ya-Nan; Wei, Si-Yue; Zhang, Xiao-Xi; Bai, Feng-Ying; Sun, Li-Xian; Shi, Zhan; Xing, Yong-Heng","UO22±amino hybrid materials: structural variation and photocatalysis properties","CrystEngComm","2015","17","3","642","","10.1039/C4CE01473A","","","0.71073","MoKα","","0.0462","0.0294","","","0.0566","0.062","","","","","","1.038","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218407","17.5227","0.0016","11.7243","0.001","16.7131","0.0015","90","","112.255","0.002","90","","3177.8","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H10 N3 O10 U2 -","- C8 H10 N3 O10 U2 -","- C64 H80 N24 O80 U16 -","8","1","","Xu, Xue-Ting; Hou, Ya-Nan; Wei, Si-Yue; Zhang, Xiao-Xi; Bai, Feng-Ying; Sun, Li-Xian; Shi, Zhan; Xing, Yong-Heng","UO22±amino hybrid materials: structural variation and photocatalysis properties","CrystEngComm","2015","17","3","642","","10.1039/C4CE01473A","","","0.71073","MoKα","","0.0845","0.0609","","","0.1731","0.185","","","","","","1.049","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218408","7.9487","0.0005","19.0021","0.0011","10.5863","0.0006","90","","95.645","0.001","90","","1591.22","0.16","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 N2 O6 U -","- C14 H14 N2 O6 U -","- C56 H56 N8 O24 U4 -","4","1","","Xu, Xue-Ting; Hou, Ya-Nan; Wei, Si-Yue; Zhang, Xiao-Xi; Bai, Feng-Ying; Sun, Li-Xian; Shi, Zhan; Xing, Yong-Heng","UO22±amino hybrid materials: structural variation and photocatalysis properties","CrystEngComm","2015","17","3","642","","10.1039/C4CE01473A","","","0.71073","MoKα","","0.0461","0.0285","","","0.0533","0.0581","","","","","","0.989","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218409","7.2325","0.0016","16.469","0.004","17.315","0.004","90","","100.814","0.003","90","","2025.8","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C2 H10 N O10.5 U2 -","- C2 H7 N O10.5 U2 -","- C16 H56 N8 O84 U16 -","8","1","","Xu, Xue-Ting; Hou, Ya-Nan; Wei, Si-Yue; Zhang, Xiao-Xi; Bai, Feng-Ying; Sun, Li-Xian; Shi, Zhan; Xing, Yong-Heng","UO22±amino hybrid materials: structural variation and photocatalysis properties","CrystEngComm","2015","17","3","642","","10.1039/C4CE01473A","","","0.71073","MoKα","","0.0871","0.0505","","","0.0939","0.1081","","","","","","1.004","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218410","10.6792","0.0015","9.1741","0.0014","9.0549","0.0012","90","","100.211","0.003","90","","873.1","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-1,4-cyclohexanedimethanol","","- C8 H16 O2 -","- C8 H16 O2 -","- C32 H64 O8 -","4","1","","Rosado, Mário T. S.; Maria, Teresa M. R.; Castro, Ricardo A. E.; Canotilho, João; Silva, Manuela Ramos; Eusébio, M. Ermelinda S.","Molecular structure and polymorphism of a cyclohexanediol: trans-1,4-cyclohexanedimethanol","CrystEngComm","2014","16","48","10977","","10.1039/C4CE01211A","","","0.71073","MoKα","","0.1269","0.0533","","","0.1261","0.1573","","","","","","0.99","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218411","5.1064","0.0004","5.1749","0.0004","16.3054","0.001","88.25","0.005","81.485","0.005","79.662","0.005","419.2","0.05","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","trans-1,4-cyclohexanedimethanol","","- C8 H16 O2 -","- C8 H16 O2 -","- C16 H32 O4 -","2","1","","Rosado, Mário T. S.; Maria, Teresa M. R.; Castro, Ricardo A. E.; Canotilho, João; Silva, Manuela Ramos; Eusébio, M. Ermelinda S.","Molecular structure and polymorphism of a cyclohexanediol: trans-1,4-cyclohexanedimethanol","CrystEngComm","2014","16","48","10977","","10.1039/C4CE01211A","","","0.71073","MoKα","","0.1254","0.06","","","0.1756","0.2336","","","","","","0.917","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218420","26.51","0.003","26.51","0.003","26.51","0.003","90","","90","","90","","18631","4","293","2","293","2","","","","","","","","6","P m -3 n","-P 4n 2 3","223","DUT-6-boron","DUT-6","","- C121.5 H206.5 B1.33 N15.5 O28.5 Zn4 -","- C44 H36 B1.33333 O13 Zn4 -","- C264 H216 B8 O78 Zn24 -","6","0.125","","Helten, Stella; Sahoo, Basudev; Bon, Volodymyr; Senkovska, Irena; Kaskel, Stefan; Glorius, Frank","Copolymerisation at work: the first example of a highly porous MOF comprising a triarylborane-based linker","CrystEngComm","2015","17","2","307","","10.1039/C4CE01400F","","x-ray","0.88561","synchrotron","","0.1383","0.1167","","","0.3529","0.3864","","","","","","1.098","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218434","7.563","0.006","8.34","0.007","9.721","0.006","68.15","0.03","79.933","0.015","63.506","0.009","509.3","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 Cd N12 O3 -","- C20 H18 Cd N12 O3 -","- C20 H18 Cd N12 O3 -","1","0.5","","Hou, Shuang-Shuang; Huang, Xuan; Guo, Jun-Gu; Zheng, Sheng-Run; Lei, Jing; Tan, Jing-Bo; Fan, Jun; Zhang, Wei-Guang","Assembly of Cd(ii) coordination polymers: structural variation, supramolecular isomers, and temperature/anion-induced solvent-mediated structural transformations","CrystEngComm","2015","17","4","947","","10.1039/C4CE01779J","","","0.71073","MoKα","","0.0637","0.0615","","","0.1737","0.1754","","","","","","1.044","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218435","12.584","0.002","11.4846","0.0019","15.765","0.003","90","","101.664","0.002","90","","2231.3","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Cd N12 O3 -","- C20 H20 Cd N12 O3 -","- C80 H80 Cd4 N48 O12 -","4","1","","Hou, Shuang-Shuang; Huang, Xuan; Guo, Jun-Gu; Zheng, Sheng-Run; Lei, Jing; Tan, Jing-Bo; Fan, Jun; Zhang, Wei-Guang","Assembly of Cd(ii) coordination polymers: structural variation, supramolecular isomers, and temperature/anion-induced solvent-mediated structural transformations","CrystEngComm","2015","17","4","947","","10.1039/C4CE01779J","","","0.71073","MoKα","","0.0447","0.0321","","","0.0721","0.0785","","","","","","1.01","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218436","7.784","0.004","13.039","0.006","11.761","0.005","90","","93.106","0.006","90","","1191.9","1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 Cd N12 O4 -","- C20 H22 Cd N12 O4 -","- C40 H44 Cd2 N24 O8 -","2","0.5","","Hou, Shuang-Shuang; Huang, Xuan; Guo, Jun-Gu; Zheng, Sheng-Run; Lei, Jing; Tan, Jing-Bo; Fan, Jun; Zhang, Wei-Guang","Assembly of Cd(ii) coordination polymers: structural variation, supramolecular isomers, and temperature/anion-induced solvent-mediated structural transformations","CrystEngComm","2015","17","4","947","","10.1039/C4CE01779J","","","0.71073","MoKα","","0.1225","0.1051","","","0.3042","0.3133","","","","","","1.041","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218437","13.27","0.004","13.217","0.004","6.92","0.002","90","","100.561","0.003","90","","1193.1","0.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H9 Cd Cl N6 O -","- C10 H9 Cd Cl N6 O -","- C40 H36 Cd4 Cl4 N24 O4 -","4","1","","Hou, Shuang-Shuang; Huang, Xuan; Guo, Jun-Gu; Zheng, Sheng-Run; Lei, Jing; Tan, Jing-Bo; Fan, Jun; Zhang, Wei-Guang","Assembly of Cd(ii) coordination polymers: structural variation, supramolecular isomers, and temperature/anion-induced solvent-mediated structural transformations","CrystEngComm","2015","17","4","947","","10.1039/C4CE01779J","","","0.71073","MoKα","","0.0425","0.0392","","","0.1108","0.1127","","","","","","1.091","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218438","9.7741","0.0008","7.3309","0.0006","16.1973","0.0014","90","","105.005","0.001","90","","1121.01","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H7 Cd Cl N6 -","- C10 H7 Cd Cl N6 -","- C40 H28 Cd4 Cl4 N24 -","4","1","","Hou, Shuang-Shuang; Huang, Xuan; Guo, Jun-Gu; Zheng, Sheng-Run; Lei, Jing; Tan, Jing-Bo; Fan, Jun; Zhang, Wei-Guang","Assembly of Cd(ii) coordination polymers: structural variation, supramolecular isomers, and temperature/anion-induced solvent-mediated structural transformations","CrystEngComm","2015","17","4","947","","10.1039/C4CE01779J","","","0.71073","MoKα","","0.0199","0.0178","","","0.0438","0.0449","","","","","","1.06","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218439","4.268","0.003","8.108","0.005","17.578","0.011","95.734","0.009","94.064","0.008","103.239","0.008","586.4","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H14 Cd I2 N12 -","- C20 H14 Cd I2 N12 -","- C20 H14 Cd I2 N12 -","1","0.5","","Hou, Shuang-Shuang; Huang, Xuan; Guo, Jun-Gu; Zheng, Sheng-Run; Lei, Jing; Tan, Jing-Bo; Fan, Jun; Zhang, Wei-Guang","Assembly of Cd(ii) coordination polymers: structural variation, supramolecular isomers, and temperature/anion-induced solvent-mediated structural transformations","CrystEngComm","2015","17","4","947","","10.1039/C4CE01779J","","","0.71073","MoKα","","0.1699","0.0672","","","0.1154","0.1439","","","","","","1.017","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218440","9.8675","0.0015","7.7516","0.0013","17.034","0.003","90","","107.209","0.002","90","","1244.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H7 Cd I N6 -","- C10 H7 Cd I N6 -","- C40 H28 Cd4 I4 N24 -","4","1","","Hou, Shuang-Shuang; Huang, Xuan; Guo, Jun-Gu; Zheng, Sheng-Run; Lei, Jing; Tan, Jing-Bo; Fan, Jun; Zhang, Wei-Guang","Assembly of Cd(ii) coordination polymers: structural variation, supramolecular isomers, and temperature/anion-induced solvent-mediated structural transformations","CrystEngComm","2015","17","4","947","","10.1039/C4CE01779J","","","0.71073","MoKα","","0.0268","0.0231","","","0.062","0.0643","","","","","","1.001","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218441","17.3547","0.0015","17.3547","0.0015","16.3898","0.0014","90","","90","","120","","4275","0.6","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C20 H14 Cd N12 -","- C20 H14 Cd N12 -","- C180 H126 Cd9 N108 -","9","0.5","","Hou, Shuang-Shuang; Huang, Xuan; Guo, Jun-Gu; Zheng, Sheng-Run; Lei, Jing; Tan, Jing-Bo; Fan, Jun; Zhang, Wei-Guang","Assembly of Cd(ii) coordination polymers: structural variation, supramolecular isomers, and temperature/anion-induced solvent-mediated structural transformations","CrystEngComm","2015","17","4","947","","10.1039/C4CE01779J","","","0.71073","MoKα","","0.0196","0.0186","","","0.0631","0.0642","","","","","","0.99","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218446","7.8024","0.0013","15.776","0.003","22.417","0.004","90","","100.022","0.003","90","","2717.2","0.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H22 N4 O8 Zn -","- C27 H18 N4 O8 Zn -","- C108 H72 N16 O32 Zn4 -","4","1","","Wu, He; Sun, Wujuan; Shi, Ting; Liao, Xuzhao; Zhao, Wenjie; Yang, Xuwu","The various architectures and properties of a series of coordination polymers tuned by the central metals and auxiliary N-donor ligands","CrystEngComm","2014","16","48","11088","","10.1039/C4CE01602E","","","0.71073","MoKα","","0.1071","0.0617","","","0.1639","0.1878","","","","","","1.013","","","","has coordinates,has disorder","180515","2020-10-21","18:00:00",""
"7218447","20.2193","0.0004","6.5716","0.0001","27.935","0.0005","90","","90","","90","","3711.81","0.11","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H12 O9 Zn2 -","- C15 H12 O9 Zn2 -","- C120 H96 O72 Zn16 -","8","1","","Wu, He; Sun, Wujuan; Shi, Ting; Liao, Xuzhao; Zhao, Wenjie; Yang, Xuwu","The various architectures and properties of a series of coordination polymers tuned by the central metals and auxiliary N-donor ligands","CrystEngComm","2014","16","48","11088","","10.1039/C4CE01602E","","","0.71073","MoKα","","0.0647","0.0401","","","0.0972","0.1197","","","","","","1.01","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218448","29.778","0.002","6.6754","0.0005","19.4782","0.0014","90","","113.623","0.001","90","","3547.4","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H23 Cd3 N0 O17 -","- C30 H22 Cd3 O17 -","- C120 H88 Cd12 O68 -","4","0.5","","Wu, He; Sun, Wujuan; Shi, Ting; Liao, Xuzhao; Zhao, Wenjie; Yang, Xuwu","The various architectures and properties of a series of coordination polymers tuned by the central metals and auxiliary N-donor ligands","CrystEngComm","2014","16","48","11088","","10.1039/C4CE01602E","","","0.71073","MoKα","","0.0507","0.037","","","0.1361","0.1484","","","","","","1.055","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218449","10.0131","0.0012","24.639","0.003","13.7618","0.0016","90","","109.151","0.002","90","","3207.3","0.7","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H20 Cd3 N2 O13 -","- C34 H20 Cd3 N2 O13 -","- C136 H80 Cd12 N8 O52 -","4","0.5","","Wu, He; Sun, Wujuan; Shi, Ting; Liao, Xuzhao; Zhao, Wenjie; Yang, Xuwu","The various architectures and properties of a series of coordination polymers tuned by the central metals and auxiliary N-donor ligands","CrystEngComm","2014","16","48","11088","","10.1039/C4CE01602E","","","0.71073","MoKα","","0.089","0.0488","","","0.1064","0.1372","","","","","","1.003","","","","has coordinates,has disorder","180515","2020-10-21","18:00:00",""
"7218450","10.0418","0.0012","9.7038","0.0012","26.051","0.003","90","","95.109","0.002","90","","2528.4","0.5","296","2","296","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C54 H46 Cd3 N8 O18 -","- C54 H46 Cd3 N8 O18 -","- C108 H92 Cd6 N16 O36 -","2","0.5","","Wu, He; Sun, Wujuan; Shi, Ting; Liao, Xuzhao; Zhao, Wenjie; Yang, Xuwu","The various architectures and properties of a series of coordination polymers tuned by the central metals and auxiliary N-donor ligands","CrystEngComm","2014","16","48","11088","","10.1039/C4CE01602E","","","0.71073","MoKα","","0.0893","0.0574","","","0.1065","0.1284","","","","","","1.015","","","","has coordinates,has disorder","180515","2020-10-21","18:00:00",""
"7218451","12.9802","0.0003","8.1449","0.00018","14.5848","0.0003","90","","90","","90","","1541.94","0.06","100","","100","","","","","","","","Reagents obtained from Sigma Aldrich and Alfa Aesar","4","P b c a","-P 2ac 2ab","61","","Acetonitrilocopper(I) tricyanomethanide","","- C6 H3 Cu N4 -","- C6 H3 Cu N4 -","- C48 H24 Cu8 N32 -","8","1","","Hunt, Sarah J.; Cliffe, Matthew J.; Hill, Joshua A.; Cairns, Andrew B.; Funnell, Nicholas P.; Goodwin, Andrew L.","Flexibility transition and guest-driven reconstruction in a ferroelastic metal-organic framework","CrystEngComm","2015","17","2","361","369","10.1039/c4ce01572j","","","1.54184","CuKα","","0.0229","0.0199","","0.0542","0.0524","0.0542","","","","","","0.9951","","","","has coordinates","274642","2022-04-22","16:43:09",""
"7218452","5.708","0.005","10.8436","0.001","14.131","0.014","96.952","0.019","93.91","0.02","90.07","0.02","866.2","1.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","2-Bromomandelic Acid","","","- C8 H7 Br O3 -","- C8 H7 Br O3 -","- C32 H28 Br4 O12 -","4","2","","Coles, S. J.; Ellis, A. L.; Leung, K.; Sarson, J.; Threlfall, T. L.; Tizzard, G. J.","Relationships between the racemic structures of substituted mandelic acids containing 8- and 10-membered hydrogen bonded dimer rings","CrystEngComm","2014","16","47","10816","","10.1039/C4CE01832J","","","0.71075","MoKα","","0.107","0.0717","","","0.1576","0.1788","","","","","","1.204","","","","has coordinates,has disorder","180515","2020-10-21","18:00:00",""
"7218453","8.1888","0.0012","10.1998","0.0014","9.2654","0.0012","90","","92.709","0.007","90","","773.02","0.18","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 F O3 -","- C8 H7 F O3 -","- C32 H28 F4 O12 -","4","1","","Coles, S. J.; Ellis, A. L.; Leung, K.; Sarson, J.; Threlfall, T. L.; Tizzard, G. J.","Relationships between the racemic structures of substituted mandelic acids containing 8- and 10-membered hydrogen bonded dimer rings","CrystEngComm","2014","16","47","10816","","10.1039/C4CE01832J","","","0.71075","MoKα","","0.0847","0.0602","","","0.1587","0.1743","","","","","","1.061","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218454","5.805","0.003","10.732","0.006","13.969","0.007","96.527","0.013","92.909","0.013","90.058","0.013","863.5","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H7 I O3 -","- C8 H7 I O3 -","- C32 H28 I4 O12 -","4","2","","Coles, S. J.; Ellis, A. L.; Leung, K.; Sarson, J.; Threlfall, T. L.; Tizzard, G. J.","Relationships between the racemic structures of substituted mandelic acids containing 8- and 10-membered hydrogen bonded dimer rings","CrystEngComm","2014","16","47","10816","","10.1039/C4CE01832J","","","0.71075","MoKα","","0.0799","0.0602","","","0.1284","0.136","","","","","","1.09","","","","has coordinates,has disorder","180515","2020-10-21","18:00:00",""
"7218455","8.833","0.005","9.263","0.005","10.75","0.005","73.23","0.005","81.067","0.005","77.849","0.005","819.1","0.7","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","","","- C9 H10 O3 -","- C9 H10 O3 -","- C36 H40 O12 -","4","2","","Coles, S. J.; Ellis, A. L.; Leung, K.; Sarson, J.; Threlfall, T. L.; Tizzard, G. J.","Relationships between the racemic structures of substituted mandelic acids containing 8- and 10-membered hydrogen bonded dimer rings","CrystEngComm","2014","16","47","10816","","10.1039/C4CE01832J","","","0.71073","MoKα","","0.0653","0.0443","","","0.1082","0.1212","","","","","","1.052","","","","has coordinates","183084","2020-10-21","18:00:00",""
"7218456","8.8529","0.0007","8.921","0.0006","10.7745","0.0008","90","","90.568","0.006","90","","850.89","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 Br O3 -","- C8 H7 Br O3 -","- C32 H28 Br4 O12 -","4","1","","Coles, S. J.; Ellis, A. L.; Leung, K.; Sarson, J.; Threlfall, T. L.; Tizzard, G. J.","Relationships between the racemic structures of substituted mandelic acids containing 8- and 10-membered hydrogen bonded dimer rings","CrystEngComm","2014","16","47","10816","","10.1039/C4CE01832J","","","0.71075","MoKα","","0.0299","0.0264","","","0.0646","0.0678","","","","","","1.064","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218457","8.8285","0.0005","9.3102","0.0007","10.4698","0.0007","92.436","0.008","90.26","0.008","94.119","0.008","857.54","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H7 Br O3 -","- C8 H7 Br O3 -","- C32 H28 Br4 O12 -","4","2","","Coles, S. J.; Ellis, A. L.; Leung, K.; Sarson, J.; Threlfall, T. L.; Tizzard, G. J.","Relationships between the racemic structures of substituted mandelic acids containing 8- and 10-membered hydrogen bonded dimer rings","CrystEngComm","2014","16","47","10816","","10.1039/C4CE01832J","","x-ray","0.71075","MoKα","","0.0984","0.0516","","","0.0864","0.1005","","","","","","1.036","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218458","8.6521","0.0015","8.9195","0.0015","10.7309","0.0017","90","","90.9","0.006","90","","828","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 Cl O3 -","- C8 H7 Cl O3 -","- C32 H28 Cl4 O12 -","4","1","","Coles, S. J.; Ellis, A. L.; Leung, K.; Sarson, J.; Threlfall, T. L.; Tizzard, G. J.","Relationships between the racemic structures of substituted mandelic acids containing 8- and 10-membered hydrogen bonded dimer rings","CrystEngComm","2014","16","47","10816","","10.1039/C4CE01832J","","","0.71075","MoKα","","0.0964","0.0554","","","0.1217","0.1395","","","","","","1.05","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218459","9.0086","0.0005","9.6372","0.0007","10.5702","0.0007","86.602","0.005","88.612","0.005","85.623","0.004","913.22","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","3-Trifluoromomandelic Acid","","","- C9 H7 F3 O3 -","- C9 H7 F3 O3 -","- C36 H28 F12 O12 -","4","2","","Coles, S. J.; Ellis, A. L.; Leung, K.; Sarson, J.; Threlfall, T. L.; Tizzard, G. J.","Relationships between the racemic structures of substituted mandelic acids containing 8- and 10-membered hydrogen bonded dimer rings","CrystEngComm","2014","16","47","10816","","10.1039/C4CE01832J","","x-ray","0.71075","MoKα","","0.0692","0.0543","","","0.1263","0.1326","","","","","","1.107","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7218460","8.1424","0.0006","10.2396","0.0007","9.3604","0.0006","90","","91.016","0.008","90","","780.3","0.09","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 F O3 -","- C8 H7 F O3 -","- C32 H28 F4 O12 -","4","1","","Coles, S. J.; Ellis, A. L.; Leung, K.; Sarson, J.; Threlfall, T. L.; Tizzard, G. J.","Relationships between the racemic structures of substituted mandelic acids containing 8- and 10-membered hydrogen bonded dimer rings","CrystEngComm","2014","16","47","10816","","10.1039/C4CE01832J","","x-ray","0.71075","MoKα","","0.1836","0.1026","","","0.2744","0.3223","","","","","","1.08","","","","has coordinates,has disorder","180515","2020-10-21","18:00:00",""
"7218461","6.8488","0.0004","14.1055","0.001","15.0534","0.001","104.634","0.007","94.543","0.007","90.699","0.006","1401.87","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H7 I O3 -","- C8 H7 I O3 -","- C48 H42 I6 O18 -","6","3","","Coles, S. J.; Ellis, A. L.; Leung, K.; Sarson, J.; Threlfall, T. L.; Tizzard, G. J.","Relationships between the racemic structures of substituted mandelic acids containing 8- and 10-membered hydrogen bonded dimer rings","CrystEngComm","2014","16","47","10816","","10.1039/C4CE01832J","","","0.71075","MoKα","","0.0853","0.0549","","","0.1094","0.12","","","","","","1.045","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218462","8.5713","0.0005","9.3327","0.0007","10.5393","0.0007","92.391","0.006","94.241","0.006","90.556","0.006","839.96","0.1","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","3-methylmandelic acid","","- C9 H10 O3 -","- C9 H10 O3 -","- C36 H40 O12 -","4","2","","Coles, S. J.; Ellis, A. L.; Leung, K.; Sarson, J.; Threlfall, T. L.; Tizzard, G. J.","Relationships between the racemic structures of substituted mandelic acids containing 8- and 10-membered hydrogen bonded dimer rings","CrystEngComm","2014","16","47","10816","","10.1039/C4CE01832J","","x-ray","0.71075","MoKα","","0.0798","0.0513","","","0.1175","0.1321","","","","","","1.032","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218463","19.5315","0.0014","9.741","0.0007","9.1389","0.0006","90","","101.132","0.004","90","","1706","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 Br O3 -","- C8 H7 Br O3 -","- C64 H56 Br8 O24 -","8","2","","Coles, S. J.; Ellis, A. L.; Leung, K.; Sarson, J.; Threlfall, T. L.; Tizzard, G. J.","Relationships between the racemic structures of substituted mandelic acids containing 8- and 10-membered hydrogen bonded dimer rings","CrystEngComm","2014","16","47","10816","","10.1039/C4CE01832J","","x-ray","0.71075","MoKα","","0.113","0.0847","","","0.207","0.2205","","","","","","1.161","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218464","4.9711","0.0004","14.9062","0.0012","16.792","0.0013","88.109","0.008","85.871","0.008","84.381","0.009","1234.68","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H7 Cl O3 -","- C8 H7 Cl O3 -","- C48 H42 Cl6 O18 -","6","3","","Coles, S. J.; Ellis, A. L.; Leung, K.; Sarson, J.; Threlfall, T. L.; Tizzard, G. J.","Relationships between the racemic structures of substituted mandelic acids containing 8- and 10-membered hydrogen bonded dimer rings","CrystEngComm","2014","16","47","10816","","10.1039/C4CE01832J","","x-ray","0.71075","MoKα","","0.305","0.1238","","","0.2195","0.3039","","","","","","1.01","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218465","9.8173","0.0005","9.692","0.0005","19.9217","0.0014","90","","90","","90","","1895.54","0.19","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H7 F3 O3 -","- C9 H7 F3 O3 -","- C72 H56 F24 O24 -","8","1","","Coles, S. J.; Ellis, A. L.; Leung, K.; Sarson, J.; Threlfall, T. L.; Tizzard, G. J.","Relationships between the racemic structures of substituted mandelic acids containing 8- and 10-membered hydrogen bonded dimer rings","CrystEngComm","2014","16","47","10816","","10.1039/C4CE01832J","","","0.71075","MoKα","","0.1612","0.0832","","","0.1104","0.13","","","","","","1.133","","","","has coordinates,has disorder","180515","2020-10-21","18:00:00",""
"7218466","4.9583","0.0005","10.3607","0.0011","17.675","0.002","76.455","0.005","83.237","0.006","88.779","0.006","876.58","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H7 I O3 -","- C8 H7 I O3 -","- C32 H28 I4 O12 -","4","2","","Coles, S. J.; Ellis, A. L.; Leung, K.; Sarson, J.; Threlfall, T. L.; Tizzard, G. J.","Relationships between the racemic structures of substituted mandelic acids containing 8- and 10-membered hydrogen bonded dimer rings","CrystEngComm","2014","16","47","10816","","10.1039/C4CE01832J","","","0.71075","MoKα","","0.0852","0.0615","","","0.1576","0.1692","","","","","","1.063","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218467","9.8365","0.0007","9.4215","0.0007","19.239","0.0015","90","","90","","90","","1783","0.2","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C9 H10 O3 -","- C9 H10 O3 -","- C72 H80 O24 -","8","1","","Coles, S. J.; Ellis, A. L.; Leung, K.; Sarson, J.; Threlfall, T. L.; Tizzard, G. J.","Relationships between the racemic structures of substituted mandelic acids containing 8- and 10-membered hydrogen bonded dimer rings","CrystEngComm","2014","16","47","10816","","10.1039/C4CE01832J","","","0.71073","MoKα","","0.192","0.071","","","0.1594","0.2198","","","","","","0.996","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218468","20.805","0.003","15.649","0.003","5.3033","0.0007","90","","90","","90","","1726.6","0.5","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C9 H10 O4 -","- C9 H10 O4 -","- C72 H80 O32 -","8","1","","Coles, S. J.; Ellis, A. L.; Leung, K.; Sarson, J.; Threlfall, T. L.; Tizzard, G. J.","Relationships between the racemic structures of substituted mandelic acids containing 8- and 10-membered hydrogen bonded dimer rings","CrystEngComm","2014","16","47","10816","","10.1039/C4CE01832J","","","0.71073","MoKα","","0.1957","0.0767","","","0.1049","0.132","","","","","","0.992","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218469","18.6794","0.0013","5.1376","0.0002","9.214","0.004","90","","103.682","0.012","90","","859.2","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 O4 -","- C9 H10 O4 -","- C36 H40 O16 -","4","1","","Coles, S. J.; Ellis, A. L.; Leung, K.; Sarson, J.; Threlfall, T. L.; Tizzard, G. J.","Relationships between the racemic structures of substituted mandelic acids containing 8- and 10-membered hydrogen bonded dimer rings","CrystEngComm","2014","16","47","10816","","10.1039/C4CE01832J","","","0.71075","MoKα","","0.0433","0.0336","","","0.0916","0.0958","","","","","","1.098","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218470","5.0748","0.001","5.2814","0.001","15.032","0.004","91.142","0.007","92.37","0.007","111.42","0.008","374.47","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H7 F O3 -","- C8 H7 F O3 -","- C16 H14 F2 O6 -","2","1","","Coles, S. J.; Ellis, A. L.; Leung, K.; Sarson, J.; Threlfall, T. L.; Tizzard, G. J.","Relationships between the racemic structures of substituted mandelic acids containing 8- and 10-membered hydrogen bonded dimer rings","CrystEngComm","2014","16","47","10816","","10.1039/C4CE01832J","","","0.71075","MoKα","","0.0906","0.0616","","","0.155","0.1666","","","","","","1.116","","","","has coordinates,has disorder","180515","2020-10-21","18:00:00",""
"7218471","11.622","0.005","22.213","0.005","11.896","0.005","90","0.005","112.738","0.005","90","0.005","2832.4","1.8","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Cu2 N6 O44 Si W12 -","- C30 H24 Cu2 N6 O44 Si W12 -","- C60 H48 Cu4 N12 O88 Si2 W24 -","2","0.5","","Li, Liang; Sun, Jing-Wen; Sha, Jing-Quan; Li, Guang-Ming; Yan, Peng-Fei; Wang, Cheng","Construction of POMOFs with different degrees of interpenetration and the same topology","CrystEngComm","2015","17","3","633","","10.1039/C4CE01725K","","","0.71069","MoKα","","0.1126","0.0943","","","0.2013","0.2108","","","","","","1.21","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218472","16.044","0.005","21.276","0.005","11.001","0.005","90","0.005","110.46","0.005","90","0.005","3518","2","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C48 H20 Cu N6 O46 Si W12 -","- C48 H20 Cu N6 O46 Si W12 -","- C96 H40 Cu2 N12 O92 Si2 W24 -","2","0.25","","Li, Liang; Sun, Jing-Wen; Sha, Jing-Quan; Li, Guang-Ming; Yan, Peng-Fei; Wang, Cheng","Construction of POMOFs with different degrees of interpenetration and the same topology","CrystEngComm","2015","17","3","633","","10.1039/C4CE01725K","","","0.71069","MoKα","","0.0573","0.0423","","","0.1203","0.1424","","","","","","1.107","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218473","24.737","0.005","10.601","0.005","20.038","0.005","90","0.005","99.405","0.005","90","0.005","5184","3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 Cu N8 O42 Si W12 -","- C24 H20 Cu N8 O42 Si W12 -","- C96 H80 Cu4 N32 O168 Si4 W48 -","4","0.5","","Li, Liang; Sun, Jing-Wen; Sha, Jing-Quan; Li, Guang-Ming; Yan, Peng-Fei; Wang, Cheng","Construction of POMOFs with different degrees of interpenetration and the same topology","CrystEngComm","2015","17","3","633","","10.1039/C4CE01725K","","","0.71069","MoKα","","0.055","0.0455","","","0.1095","0.1163","","","","","","1.133","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218474","8.0352","0.0002","16.1215","0.0003","20.0537","0.0004","90","","90","","90","","2597.75","0.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1R,2R)-1,2-diphenyl-1,2-bis (2,3,5,6-tetrafluoro-4-iodophenoxy)ethane","","- C26 H12 F8 I2 O2 -","- C26 H12 F8 I2 O2 -","- C104 H48 F32 I8 O8 -","4","1","","Lieffrig, Julien; Niassy, Arnode G.; Jeannin, Olivier; Fourmigué, Marc","Halogen-bonded halide networks from chiral neutral spacers","CrystEngComm","2015","17","1","50","","10.1039/C4CE01935K","","","0.71073","MoKα","","0.0549","0.0475","","","0.1216","0.1269","","","","","","1.069","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218475","8.9564","0.0003","13.3787","0.0004","23.5539","0.0007","90","","90","","90","","2822.35","0.15","298","2","298","2","","","","","","","","5","P 21 c a","P -2ac 2a","29","","(S)-2,2'-bis(2,3,5,6-tetrafluoro-4-iodophenoxy)-1,1'-binaphthalene","","- C32 H12 F8 I2 O2 -","- C32 H12 F8 I2 O2 -","- C128 H48 F32 I8 O8 -","4","1","","Lieffrig, Julien; Niassy, Arnode G.; Jeannin, Olivier; Fourmigué, Marc","Halogen-bonded halide networks from chiral neutral spacers","CrystEngComm","2015","17","1","50","","10.1039/C4CE01935K","","","0.71073","MoKα","","0.0928","0.0433","","","0.0899","0.1089","","","","","","1.021","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218476","11.5706","0.0004","15.5144","0.0005","16.0571","0.0006","90","","90","","90","","2882.42","0.17","150","2","150","2","","","","","","","","6","P 2 21 21","P 2bc 2","18","","6,6'-(((2R,3R)-butane-2,3-diyl)bis(oxy)) bis(1,2,4,5-tetrafluoro-3-iodobenzene), triethylsulfonium iodide","","- C22 H23 F8 I3 O2 S -","- C22 H23 F8 I3 O2 S -","- C88 H92 F32 I12 O8 S4 -","4","1","","Lieffrig, Julien; Niassy, Arnode G.; Jeannin, Olivier; Fourmigué, Marc","Halogen-bonded halide networks from chiral neutral spacers","CrystEngComm","2015","17","1","50","","10.1039/C4CE01935K","","x-ray","0.71073","MoKα","","0.0724","0.0518","","","0.1416","0.1641","","","","","","1.134","","","","has coordinates,has disorder","180515","2020-10-21","18:00:00",""
"7218477","13.2765","0.0002","15.9187","0.0002","14.6917","0.0002","90","","102.437","0.008","90","","3032.15","0.12","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","6,6'-(((2R,3R)-butane-2,3-diyl)bis(oxy)) bis(1,2,4,5-tetrafluoro-3-iodobenzene), tetraethylammonium bromide","","- C24 H28 Br F8 I2 N O2 -","- C24 H28 Br F8 I2 N O2 -","- C96 H112 Br4 F32 I8 N4 O8 -","4","2","","Lieffrig, Julien; Niassy, Arnode G.; Jeannin, Olivier; Fourmigué, Marc","Halogen-bonded halide networks from chiral neutral spacers","CrystEngComm","2015","17","1","50","","10.1039/C4CE01935K","","","0.71073","MoKα","","0.0832","0.0367","","","0.0658","0.0888","","","","","","1.128","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7218478","12.0074","0.001","15.2998","0.0013","41.115","0.003","90","","90","","90","","7553.3","1.1","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","6,6'-(((2R,3R)-butane-2,3-diyl)bis(oxy)) bis(1,2,4,5-tetrafluoro-3-iodobenzene), tetrabutylammonium bromide","","- C32 H44 Br F8 I2 N O2 -","- C32 H44 Br F8 I2 N O2 -","- C256 H352 Br8 F64 I16 N8 O16 -","8","2","","Lieffrig, Julien; Niassy, Arnode G.; Jeannin, Olivier; Fourmigué, Marc","Halogen-bonded halide networks from chiral neutral spacers","CrystEngComm","2015","17","1","50","","10.1039/C4CE01935K","","","0.71073","MoKα","","0.0995","0.0823","","","0.1761","0.1856","","","","","","1.172","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218479","9.9519","0.0003","10.6977","0.0003","30.4347","0.001","90","","90","","90","","3240.15","0.17","150","2","150","2","","","","","","","","7","P 2 2 2","P 2 2","16","","6,6'-(((2R,3R)-butane-2,3-diyl)bis(oxy)) bis(1,2,4,5-tetrafluoro-3-iodobenzene), tetrapentylammonium bromide","","- C52 H60 Br F16 I4 N O4 -","- C52 H60 Br F16 I4 N O4 -","- C104 H120 Br2 F32 I8 N2 O8 -","2","0.5","","Lieffrig, Julien; Niassy, Arnode G.; Jeannin, Olivier; Fourmigué, Marc","Halogen-bonded halide networks from chiral neutral spacers","CrystEngComm","2015","17","1","50","","10.1039/C4CE01935K","","x-ray","0.71073","MoKα","","0.0781","0.0568","","","0.1532","0.1711","","","","","","1.162","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7218480","12.809","0.002","13.372","0.002","7.3552","0.0011","90","","90","","90","","1259.8","0.3","130","2","130","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C8 H17 N5 O6 -","- C8 H17 N5 O6 -","- C32 H68 N20 O24 -","4","1","","Şerb, Mihaela-Diana; Kalf, Irmgard; Englert, Ulli","Biguanide and squaric acid as pH-dependent building blocks in crystal engineering","CrystEngComm","2014","16","46","10631","","10.1039/C4CE01643B","","","0.71073","MoKα","","0.0643","0.0459","","","0.0806","0.0856","","","","","","0.91","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218481","7.1418","0.0009","10.6881","0.0013","15.8359","0.0019","90","","92.827","0.002","90","","1207.3","0.3","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H15 N5 O5 -","- C8 H15 N5 O5 -","- C32 H60 N20 O20 -","4","2","","Şerb, Mihaela-Diana; Kalf, Irmgard; Englert, Ulli","Biguanide and squaric acid as pH-dependent building blocks in crystal engineering","CrystEngComm","2014","16","46","10631","","10.1039/C4CE01643B","","","0.71073","MoKα","","0.0378","0.0331","","","0.0712","0.0721","","","","","","0.964","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218482","7.576","0.0014","8.3143","0.0015","8.5662","0.0016","63.075","0.002","88.633","0.003","81.063","0.003","474.58","0.15","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H14 N5 O3 -","- C6 H14 N5 O3 -","- C12 H28 N10 O6 -","2","1","","Şerb, Mihaela-Diana; Kalf, Irmgard; Englert, Ulli","Biguanide and squaric acid as pH-dependent building blocks in crystal engineering","CrystEngComm","2014","16","46","10631","","10.1039/C4CE01643B","","","0.71073","MoKα","","0.045","0.0376","","","0.0991","0.1022","","","","","","1.093","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218483","13.1608","0.0014","12.6922","0.0014","19.7008","0.0018","90","","120.795","0.002","90","","2826.8","0.5","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H58 N20 O17 -","- C50 H58 N20 O17 -","- C100 H116 N40 O34 -","2","0.5","","Şerb, Mihaela-Diana; Kalf, Irmgard; Englert, Ulli","Biguanide and squaric acid as pH-dependent building blocks in crystal engineering","CrystEngComm","2014","16","46","10631","","10.1039/C4CE01643B","","","0.71073","MoKα","","0.0993","0.0473","","","0.0934","0.1012","","","","","","0.927","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7218484","8.9093","0.0016","10.772","0.002","12.425","0.002","71.502","0.003","74.311","0.003","80.732","0.003","1085","0.3","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H24 N10 O4 -","- C20 H24 N10 O4 -","- C40 H48 N20 O8 -","2","1","","Şerb, Mihaela-Diana; Kalf, Irmgard; Englert, Ulli","Biguanide and squaric acid as pH-dependent building blocks in crystal engineering","CrystEngComm","2014","16","46","10631","","10.1039/C4CE01643B","","","0.71073","MoKα","","0.0678","0.0437","","","0.0781","0.086","","","","","","0.923","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218485","8.2558","0.0012","14.578","0.002","13.1414","0.0019","90","","102.833","0.002","90","","1542.1","0.4","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 N5 O5 -","- C13 H17 N5 O5 -","- C52 H68 N20 O20 -","4","1","","Şerb, Mihaela-Diana; Kalf, Irmgard; Englert, Ulli","Biguanide and squaric acid as pH-dependent building blocks in crystal engineering","CrystEngComm","2014","16","46","10631","","10.1039/C4CE01643B","","","0.71073","MoKα","","0.065","0.0414","","","0.0873","0.0928","","","","","","0.894","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218486","8.0245","0.0007","13.0557","0.0011","22.2369","0.0019","87.683","0.002","82.848","0.002","73.025","0.002","2210.8","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H17 N5 O5 -","- C13 H17 N5 O5 -","- C78 H102 N30 O30 -","6","3","","Şerb, Mihaela-Diana; Kalf, Irmgard; Englert, Ulli","Biguanide and squaric acid as pH-dependent building blocks in crystal engineering","CrystEngComm","2014","16","46","10631","","10.1039/C4CE01643B","","","0.71073","MoKα","","0.0916","0.0535","","","0.0895","0.0995","","","","","","0.953","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218487","11.7133","0.0007","12.8357","0.0007","19.3224","0.0011","90","","90.355","0.001","90","","2905","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 N10 O8 -","- C26 H30 N10 O8 -","- C104 H120 N40 O32 -","4","1","","Şerb, Mihaela-Diana; Kalf, Irmgard; Englert, Ulli","Biguanide and squaric acid as pH-dependent building blocks in crystal engineering","CrystEngComm","2014","16","46","10631","","10.1039/C4CE01643B","","","0.71073","MoKα","","0.055","0.0441","","","0.1001","0.1074","","","","","","1.045","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7218488","9.406","0.003","11.576","0.003","11.779","0.003","90","","107.623","0.004","90","","1222.4","0.6","130","2","130","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H14 N5 O2 -","- C11 H14 N5 O2 -","- C44 H56 N20 O8 -","4","1","","Şerb, Mihaela-Diana; Kalf, Irmgard; Englert, Ulli","Biguanide and squaric acid as pH-dependent building blocks in crystal engineering","CrystEngComm","2014","16","46","10631","","10.1039/C4CE01643B","","","0.71073","MoKα","","0.0413","0.0353","","","0.0962","0.0985","","","","","","1.061","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218489","19.965","0.003","6.112","0.001","19.828","0.003","90","","111.194","0.002","90","","2255.9","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 Nd2 O17 S2 -","- C14 H14 Nd2 O17 S2 -","- C56 H56 Nd8 O68 S8 -","4","0.5","","Li, Zhao-Hao; Xue, Li-Ping; Shan, Li-Li; Zhao, Bang-Tun; Kan, Jian; Su, Wei-Ping","Hydrogen bonded-extended lanthanide coordination polymers decorated with 2,3-thiophenedicarboxylate and oxalate: synthesis, structures, and properties","CrystEngComm","2014","16","47","10824","","10.1039/C4CE01734J","","","0.71073","MoKα","","0.0191","0.0189","","","0.0509","0.0511","","","","","","1.029","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218490","19.746","0.006","6.0662","0.0019","19.785","0.006","90","","111.051","0.003","90","","2211.7","1.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 Eu2 O17 S2 -","- C14 H14 Eu2 O17 S2 -","- C56 H56 Eu8 O68 S8 -","4","0.5","","Li, Zhao-Hao; Xue, Li-Ping; Shan, Li-Li; Zhao, Bang-Tun; Kan, Jian; Su, Wei-Ping","Hydrogen bonded-extended lanthanide coordination polymers decorated with 2,3-thiophenedicarboxylate and oxalate: synthesis, structures, and properties","CrystEngComm","2014","16","47","10824","","10.1039/C4CE01734J","","","0.71073","MoKα","","0.0227","0.0225","","","0.0559","0.056","","","","","","1.268","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218491","19.671","0.004","6.0556","0.0013","19.793","0.004","90","","111.098","0.002","90","","2199.7","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 Gd2 O17 S2 -","- C14 H14 Gd2 O17 S2 -","- C56 H56 Gd8 O68 S8 -","4","0.5","","Li, Zhao-Hao; Xue, Li-Ping; Shan, Li-Li; Zhao, Bang-Tun; Kan, Jian; Su, Wei-Ping","Hydrogen bonded-extended lanthanide coordination polymers decorated with 2,3-thiophenedicarboxylate and oxalate: synthesis, structures, and properties","CrystEngComm","2014","16","47","10824","","10.1039/C4CE01734J","","","0.71073","MoKα","","0.021","0.0206","","","0.0528","0.053","","","","","","1.095","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218492","19.621","0.003","6.0421","0.0009","19.795","0.003","90","","111.09","0.001","90","","2189.5","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 O17 S2 Tb2 -","- C14 H14 O17 S2 Tb2 -","- C56 H56 O68 S8 Tb8 -","4","0.5","","Li, Zhao-Hao; Xue, Li-Ping; Shan, Li-Li; Zhao, Bang-Tun; Kan, Jian; Su, Wei-Ping","Hydrogen bonded-extended lanthanide coordination polymers decorated with 2,3-thiophenedicarboxylate and oxalate: synthesis, structures, and properties","CrystEngComm","2014","16","47","10824","","10.1039/C4CE01734J","","","0.71073","MoKα","","0.0225","0.0224","","","0.058","0.058","","","","","","1.155","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218493","19.489","0.005","6.0107","0.0016","19.762","0.005","90","","111.257","0.002","90","","2157.5","1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 Ho2 O17 S2 -","- C14 H14 Ho2 O17 S2 -","- C56 H56 Ho8 O68 S8 -","4","0.5","","Li, Zhao-Hao; Xue, Li-Ping; Shan, Li-Li; Zhao, Bang-Tun; Kan, Jian; Su, Wei-Ping","Hydrogen bonded-extended lanthanide coordination polymers decorated with 2,3-thiophenedicarboxylate and oxalate: synthesis, structures, and properties","CrystEngComm","2014","16","47","10824","","10.1039/C4CE01734J","","","0.71073","MoKα","","0.0221","0.0215","","","0.0531","0.0533","","","","","","1.166","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218498","10.4896","0.0004","12.9381","0.0005","9.9423","0.0003","90","","117.876","0.003","90","","1192.75","0.08","270","2","270","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 Br F N O -","- C13 H11 Br F N O -","- C52 H44 Br4 F4 N4 O4 -","4","1","","Stratford, Samuel A.; Arhangelskis, Mihails; Bučar, Dejan-Krešimir; Jones, William","Solid-state photoreactivity of 9-substituted acridizinium bromide salts","CrystEngComm","2014","16","47","10830","","10.1039/C4CE01622J","","","0.71073","MoKα","","0.0643","0.0391","","","0.0988","0.1032","","","","","","1.062","","","","has coordinates,has disorder","180515","2020-10-21","18:00:00",""
"7218499","9.5818","0.0003","11.4519","0.0003","12.5667","0.0004","109.027","0.002","94.23","0.002","105.253","0.002","1238.29","0.07","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H10.5 Br Cl N O0.75 -","- C13 H10.5 Br Cl N O0.75 -","- C52 H42 Br4 Cl4 N4 O3 -","4","2","","Stratford, Samuel A.; Arhangelskis, Mihails; Bučar, Dejan-Krešimir; Jones, William","Solid-state photoreactivity of 9-substituted acridizinium bromide salts","CrystEngComm","2014","16","47","10830","","10.1039/C4CE01622J","","","0.71069","MoKα","","0.066","0.0467","","","0.1107","0.1208","","","","","","1.046","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218500","7.3152","0.0006","9.7141","0.0009","10.352","0.002","68.687","0.003","86.209","0.003","68.298","0.004","634.75","0.15","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H11 Br2 N O -","- C13 H11 Br2 N O -","- C26 H22 Br4 N2 O2 -","2","1","","Stratford, Samuel A.; Arhangelskis, Mihails; Bučar, Dejan-Krešimir; Jones, William","Solid-state photoreactivity of 9-substituted acridizinium bromide salts","CrystEngComm","2014","16","47","10830","","10.1039/C4CE01622J","","","0.71073","MoKα","","0.1223","0.0799","","","0.2424","0.2541","","","","","","1.039","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218501","7.5841","0.0006","19.2894","0.0016","9.3211","0.0009","90","","105.886","0.004","90","","1311.5","0.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 Br I N O -","- C13 H11 Br I N O -","- C52 H44 Br4 I4 N4 O4 -","4","1","","Stratford, Samuel A.; Arhangelskis, Mihails; Bučar, Dejan-Krešimir; Jones, William","Solid-state photoreactivity of 9-substituted acridizinium bromide salts","CrystEngComm","2014","16","47","10830","","10.1039/C4CE01622J","","","0.7107","MoKα","","0.0716","0.0477","","","0.1057","0.117","","","","","","1.075","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218502","7.5081","0.0003","10.494","0.0005","11.7322","0.0006","105.219","0.002","105.581","0.002","101.791","0.002","820.76","0.07","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H9 I4 N -","- C13 H9 I4 N -","- C26 H18 I8 N2 -","2","1","","Stratford, Samuel A.; Arhangelskis, Mihails; Bučar, Dejan-Krešimir; Jones, William","Solid-state photoreactivity of 9-substituted acridizinium bromide salts","CrystEngComm","2014","16","47","10830","","10.1039/C4CE01622J","","","0.71073","MoKα","","0.1399","0.1155","","","0.3405","0.3512","","","","","","1.13","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218503","7.799","0.001","9.585","0.002","9.664","0.002","68.967","0.007","70.925","0.006","83.339","0.006","637.3","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H14 Br N O -","- C14 H14 Br N O -","- C28 H28 Br2 N2 O2 -","2","1","","Stratford, Samuel A.; Arhangelskis, Mihails; Bučar, Dejan-Krešimir; Jones, William","Solid-state photoreactivity of 9-substituted acridizinium bromide salts","CrystEngComm","2014","16","47","10830","","10.1039/C4CE01622J","","","0.7107","MoKα","","0.0936","0.0611","","","0.1552","0.1689","","","","","","1.002","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218504","7.7034","0.0007","9.141","0.001","12.257","0.002","88.73","0.006","78.321","0.006","71.486","0.004","800.66","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H38 Br2 N2 O -","- C34 H38 Br2 N2 O -","- C34 H38 Br2 N2 O -","1","0.5","","Stratford, Samuel A.; Arhangelskis, Mihails; Bučar, Dejan-Krešimir; Jones, William","Solid-state photoreactivity of 9-substituted acridizinium bromide salts","CrystEngComm","2014","16","47","10830","","10.1039/C4CE01622J","","","0.7107","MoKα","","0.0779","0.0586","","","0.1529","0.1666","","","","","","1.134","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218505","18.08801","0.00059","12.04679","0.00049","7.2298","0.00019","90","","90","","90","","1575.39","0.09","293","","293","","","","","","","","","5","P c a 21","P 2c -2ac","29","9-tert-butylacridizinium bromide monohydrate","","","- C17 H20 Br N O -","- C17 H20 Br N O -","- C68 H80 Br4 N4 O4 -","4","1","","Stratford, Samuel A.; Arhangelskis, Mihails; Bučar, Dejan-Krešimir; Jones, William","Solid-state photoreactivity of 9-substituted acridizinium bromide salts","CrystEngComm","2014","16","47","10830","","10.1039/C4CE01622J","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.021","2.552","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218507","9.4202","0.0005","16.8486","0.0006","9.1845","0.0005","90","","97.746","0.006","90","","1444.44","0.12","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(dimethylammonium)(manganese(II)-(benezenetetrasulfonate))(dimethylfornamide)","","","- C16 H32 Mn N4 O14 S4 -","- C16 H32 Mn N4 O14 S4 -","- C32 H64 Mn2 N8 O28 S8 -","2","0.5","","Zitzer, Christina; Muesmann, Thomas W. T.; Christoffers, Jens; Schwickert, Christian; Pöttgen, Rainer; Wickleder, Mathias S.","1,2,4,5-Benzenetetrasulfonic acid and 1,4-benzenedisulfonic acid as sulfo analogues of pyromellitic and terephthalic acids for building coordination polymers of manganese","CrystEngComm","2014","16","48","11064","","10.1039/C4CE01618A","","","0.71073","MoKα","","0.0643","0.0357","","","0.0771","0.0837","","","","","","0.87","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218508","9.317","0.0007","10.4919","0.0007","19.4487","0.0012","90","","113.529","0.003","90","","1743.1","0.2","120","2","120.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(hydroxymethyldihydropyrrolium)(manganese(II)-(benezenetetrasulfonate))(N-methylpyrrolidone)","","","- C26 H40 Mn N4 O16 S4 -","- C26 H34 Mn N4 O16 S4 -","- C52 H68 Mn2 N8 O32 S8 -","2","0.5","","Zitzer, Christina; Muesmann, Thomas W. T.; Christoffers, Jens; Schwickert, Christian; Pöttgen, Rainer; Wickleder, Mathias S.","1,2,4,5-Benzenetetrasulfonic acid and 1,4-benzenedisulfonic acid as sulfo analogues of pyromellitic and terephthalic acids for building coordination polymers of manganese","CrystEngComm","2014","16","48","11064","","10.1039/C4CE01618A","","","0.71073","MoKα","","0.0818","0.0501","","","0.131","0.1484","","","","","","1.029","","","","has coordinates,has disorder","180516","2020-10-21","18:00:00",""
"7218509","5.143","0.0007","9.262","0.0012","9.402","0.0013","93.552","0.008","99.993","0.007","99.237","0.007","433.48","0.1","120","2","120","2","","","","","","","","6","P -1","-P 1","2","(manganese(II)-benzenedisulfonoc acid)(dimethylformamide)","","","- C12 H18 Mn N2 O8 S2 -","- C12 H18 Mn N2 O8 S2 -","- C12 H18 Mn N2 O8 S2 -","1","0.5","","Zitzer, Christina; Muesmann, Thomas W. T.; Christoffers, Jens; Schwickert, Christian; Pöttgen, Rainer; Wickleder, Mathias S.","1,2,4,5-Benzenetetrasulfonic acid and 1,4-benzenedisulfonic acid as sulfo analogues of pyromellitic and terephthalic acids for building coordination polymers of manganese","CrystEngComm","2014","16","48","11064","","10.1039/C4CE01618A","","","0.71073","MoKα","","0.0462","0.029","","","0.0637","0.067","","","","","","0.956","","","","has coordinates,has disorder","180516","2020-10-21","18:00:00",""
"7218510","9.36","0.0004","9.8494","0.0004","10.3475","0.0005","81.606","0.002","88.941","0.002","82.364","0.002","935.35","0.07","120","2","120.15","","","","","","","","","6","P -1","-P 1","2","manganese(II)-benzenedisulfonate-dimethylacetamide","","","- C14 H22 Mn N2 O8 S2 -","- C14 H19.75 Mn N2 O8 S2 -","- C28 H39.5 Mn2 N4 O16 S4 -","2","1","","Zitzer, Christina; Muesmann, Thomas W. T.; Christoffers, Jens; Schwickert, Christian; Pöttgen, Rainer; Wickleder, Mathias S.","1,2,4,5-Benzenetetrasulfonic acid and 1,4-benzenedisulfonic acid as sulfo analogues of pyromellitic and terephthalic acids for building coordination polymers of manganese","CrystEngComm","2014","16","48","11064","","10.1039/C4CE01618A","","","0.71073","MoKα","","0.0504","0.0348","","","0.0939","0.1002","","","","","","1.019","","","","has coordinates,has disorder","180516","2020-10-21","18:00:00",""
"7218511","9.6297","0.0003","9.7676","0.0003","10.3423","0.0003","89.371","0.001","78.839","0.001","87.604","0.002","953.55","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","(manganese(II)-benzenedisulfonate)(N-methylpyrrolidone)","","","- C16 H22 Mn N2 O8 S2 -","- C16 H22 Mn N2 O8 S2 -","- C32 H44 Mn2 N4 O16 S4 -","2","1","","Zitzer, Christina; Muesmann, Thomas W. T.; Christoffers, Jens; Schwickert, Christian; Pöttgen, Rainer; Wickleder, Mathias S.","1,2,4,5-Benzenetetrasulfonic acid and 1,4-benzenedisulfonic acid as sulfo analogues of pyromellitic and terephthalic acids for building coordination polymers of manganese","CrystEngComm","2014","16","48","11064","","10.1039/C4CE01618A","","","0.71073","MoKα","","0.0315","0.0244","","","0.0732","0.075","","","","","","1.066","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218512","19.568","0.002","20.952","0.002","23.623","0.003","74.831","0.002","86.481","0.002","64.269","0.002","8405.6","1.6","296","2","296","2","","","","","","","","9","P -1","-P 1","2","","","","- C14 H126 As6 Ce4 K14 Li4 N2 O264 W58 -","- C14 H6 As6 Ce4 K14 N2 O246 W58 -","- C14 H6 As6 Ce4 K14 N2 O246 W58 -","1","0.5","","Li, Suzhi; Wang, Yuan; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","From a versatile arsenotungstate precursor to a large lanthanide-containing polyoxometalate‒carboxylate hybrid","CrystEngComm","2014","16","47","10746","","10.1039/C4CE01577K","","","0.71073","MoKα","","0.135","0.0796","","","0.1833","0.2001","","","","","","1.078","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218524","12.7505","0.0005","18.627","0.0008","20.5062","0.0005","85.451","0.003","86.386","0.003","72.095","0.004","4616","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C99 H77.61 Cd3 Cl6 N21 O1.87 -","- C99 H77.6121 Cd3 Cl6 N21 O1.8707 -","- C198 H155.224 Cd6 Cl12 N42 O3.7414 -","2","1","","Yan, Cheng; Fan, Yan-Zhong; Chen, Ling; Pan, Mei; Zhang, Lu-Yin; Jiang, Ji-Jun; Su, Cheng-Yong","Time controlled structural/packing transformation and tunable luminescence of Cd(ii)-chloride-triBZ-ntb coordination assemblies: an experimental and theoretical exploration","CrystEngComm","2015","17","3","546","","10.1039/C4CE01909A","","","1.54178","CuKα","","0.0556","0.047","","","0.1235","0.1344","","","","","","1.045","","","","has coordinates,has disorder","180516","2020-10-21","18:00:00",""
"7218525","33.9556","0.0012","12.561","0.0005","25.2278","0.0008","90","","123.31","0.001","90","","8992.3","0.6","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H36 Cd Cl2 N10 O -","- C48 H36 Cd Cl2 N10 O -","- C384 H288 Cd8 Cl16 N80 O8 -","8","1","","Yan, Cheng; Fan, Yan-Zhong; Chen, Ling; Pan, Mei; Zhang, Lu-Yin; Jiang, Ji-Jun; Su, Cheng-Yong","Time controlled structural/packing transformation and tunable luminescence of Cd(ii)-chloride-triBZ-ntb coordination assemblies: an experimental and theoretical exploration","CrystEngComm","2015","17","3","546","","10.1039/C4CE01909A","","x-ray","0.71073","MoKα","","0.0542","0.0379","","","0.1178","0.1293","","","","","","1.052","","","","has coordinates","211178","2020-10-21","18:00:00",""
"7218526","15.7677","0.0007","18.5983","0.0008","21.5286","0.0012","115.511","0.001","90.072","0.002","114.366","0.001","5065.8","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H68 Cd3 Cl6 N20 -","- C96 H68 Cd3 Cl6 N20 -","- C192 H136 Cd6 Cl12 N40 -","2","1","","Yan, Cheng; Fan, Yan-Zhong; Chen, Ling; Pan, Mei; Zhang, Lu-Yin; Jiang, Ji-Jun; Su, Cheng-Yong","Time controlled structural/packing transformation and tunable luminescence of Cd(ii)-chloride-triBZ-ntb coordination assemblies: an experimental and theoretical exploration","CrystEngComm","2015","17","3","546","","10.1039/C4CE01909A","","","0.71073","MoKα","","0.1389","0.0663","","","0.1872","0.2389","","","","","","0.834","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218527","14.4457","0.0004","14.5288","0.0003","13.7814","0.0003","90","","90","","90","","2892.42","0.12","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","[I(etu)2]+ I- [I3]-","[I(2-imidazolidinethione)2]+ I- [I3]-","","- C6 H12 I3 N4 S2 -","- C6 H12 I3 N4 S2 -","- C48 H96 I24 N32 S16 -","8","1","","Koskinen, L.; Hirva, P.; Kalenius, E.; Jääskeläinen, S.; Rissanen, K.; Haukka, M.","Halogen bonds with coordinative nature: halogen bonding in a S‒I±-S iodonium complex","CrystEngComm","2015","17","6","1231","","10.1039/C4CE01735H","","","0.71073","MoKα","","0.0287","0.0203","","","0.0394","0.0429","","","","","","1.156","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218540","21.293","0.002","7.8312","0.0009","13.9098","0.0016","90","","109.82","0.002","90","","2182.1","0.4","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Moxonidine","4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-methylpyrimidin-5-amine","","- C9 H12 Cl N5 O -","- C9 H12 Cl N5 O -","- C72 H96 Cl8 N40 O8 -","8","1","","Babu Nanubolu, Jagadeesh; Sridhar, Balasubramanian; Ravikumar, Krishnan","Understanding the amino ↔ imino tautomeric preference in (imidazole)imidazolidine-N-aryl(alkyl) systems: a case study of moxonidine drug and insights from the Cambridge structural database (CSD)","CrystEngComm","2014","16","46","10602","","10.1039/C4CE01541J","","","0.71073","MoKα","","0.0656","0.064","","","0.148","0.149","","","","","","1.271","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218541","8.5413","0.001","13.2793","0.0015","24.376","0.003","90","","90","","90","","2764.8","0.6","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Moxonidine hydrochloride monohydrate","Moxonidine hydrochloride monohydrate","","- C9 H15 Cl2 N5 O2 -","- C9 H15 Cl2 N5 O2 -","- C72 H120 Cl16 N40 O16 -","8","1","","Babu Nanubolu, Jagadeesh; Sridhar, Balasubramanian; Ravikumar, Krishnan","Understanding the amino ↔ imino tautomeric preference in (imidazole)imidazolidine-N-aryl(alkyl) systems: a case study of moxonidine drug and insights from the Cambridge structural database (CSD)","CrystEngComm","2014","16","46","10602","","10.1039/C4CE01541J","","","0.71073","MoKα","","0.0614","0.0535","","","0.1293","0.1346","","","","","","1.166","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218542","14.639","0.006","17.452","0.007","23.468","0.009","90","","90","","90","","5996","4","223","2","223","2","","","","","","","","6","P c 21 n","P -2n -2ac","33","","","","- C40 H66 Cl N26 Nd O29 -","- C40 H44 Cl N26 Nd O23 -","- C160 H176 Cl4 N104 Nd4 O92 -","4","1","","Zhou, Jia-Jia; Yu, Xin; Zhao, Ying-Chun; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Liu, Jing-Xin; Zhu, Qian-Jiang","Coordination of Ln3+in ortho-tetramethyl-substituted cucurbituril supramolecular assemblies formed in the presence of cadmium nitrate: potential applications for isolation of heavier lanthanides","CrystEngComm","2014","16","46","10674","","10.1039/C4CE00870G","","","0.71073","MoKα","","0.0841","0.0587","","","0.1414","0.1525","","","","","","1.011","","","","has coordinates,has disorder","180516","2020-10-21","18:00:00",""
"7218543","14.6418","0.0017","17.407","0.002","23.369","0.003","90","","90","","90","","5956.1","1.2","293","2","293","2","","","","","","","","6","P c 21 n","P -2n -2ac","33","","","","- C40 H66 Cl N26 O29 Sm -","- C40 H44 Cl N26 O23 Sm -","- C160 H176 Cl4 N104 O92 Sm4 -","4","1","","Zhou, Jia-Jia; Yu, Xin; Zhao, Ying-Chun; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Liu, Jing-Xin; Zhu, Qian-Jiang","Coordination of Ln3+in ortho-tetramethyl-substituted cucurbituril supramolecular assemblies formed in the presence of cadmium nitrate: potential applications for isolation of heavier lanthanides","CrystEngComm","2014","16","46","10674","","10.1039/C4CE00870G","","","0.71073","MoKα","","0.0536","0.0458","","","0.1248","0.1305","","","","","","1.054","","","","has coordinates,has disorder","180516","2020-10-21","18:00:00",""
"7218544","14.641","0.003","17.416","0.004","23.351","0.005","90","","90","","90","","5954","2","223","2","223","2","","","","","","","","6","P c 21 n","P -2n -2ac","33","","","","- C40 H66 Cl Eu N26 O29 -","- C40 H44 Cl Eu N26 O23 -","- C160 H176 Cl4 Eu4 N104 O92 -","4","1","","Zhou, Jia-Jia; Yu, Xin; Zhao, Ying-Chun; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Liu, Jing-Xin; Zhu, Qian-Jiang","Coordination of Ln3+in ortho-tetramethyl-substituted cucurbituril supramolecular assemblies formed in the presence of cadmium nitrate: potential applications for isolation of heavier lanthanides","CrystEngComm","2014","16","46","10674","","10.1039/C4CE00870G","","","0.71073","MoKα","","0.067","0.0541","","","0.1421","0.1515","","","","","","1.019","","","","has coordinates,has disorder","180516","2020-10-21","18:00:00",""
"7218545","35.306","0.005","14.142","0.002","13.4153","0.0019","90","","90","","90","","6698.2","1.6","223","2","223","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C40 H88 Cl Gd N26 O40 -","- C40 H44 Cl Gd N26 O25 -","- C160 H176 Cl4 Gd4 N104 O100 -","4","0.5","","Zhou, Jia-Jia; Yu, Xin; Zhao, Ying-Chun; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Liu, Jing-Xin; Zhu, Qian-Jiang","Coordination of Ln3+in ortho-tetramethyl-substituted cucurbituril supramolecular assemblies formed in the presence of cadmium nitrate: potential applications for isolation of heavier lanthanides","CrystEngComm","2014","16","46","10674","","10.1039/C4CE00870G","","","0.71073","MoKα","","0.076","0.0631","","","0.148","0.1542","","","","","","1.109","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218546","35.381","0.003","14.2066","0.0013","13.4355","0.0013","90","","90","","90","","6753.3","1.1","223","2","223","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C40 H88 Cl N26 O40 Tb -","- C40 H44 Cl N26 O25 Tb -","- C160 H176 Cl4 N104 O100 Tb4 -","4","0.5","","Zhou, Jia-Jia; Yu, Xin; Zhao, Ying-Chun; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Liu, Jing-Xin; Zhu, Qian-Jiang","Coordination of Ln3+in ortho-tetramethyl-substituted cucurbituril supramolecular assemblies formed in the presence of cadmium nitrate: potential applications for isolation of heavier lanthanides","CrystEngComm","2014","16","46","10674","","10.1039/C4CE00870G","","","0.71073","MoKα","","0.0717","0.0535","","","0.1411","0.1495","","","","","","1.084","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218547","35.375","0.004","14.1652","0.0017","13.4397","0.0016","90","","90","","90","","6734.6","1.4","223","2","223","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C40 H88 Cl Dy N26 O40 -","- C40 H44 Cl Dy N26 O25 -","- C160 H176 Cl4 Dy4 N104 O100 -","4","0.5","","Zhou, Jia-Jia; Yu, Xin; Zhao, Ying-Chun; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Liu, Jing-Xin; Zhu, Qian-Jiang","Coordination of Ln3+in ortho-tetramethyl-substituted cucurbituril supramolecular assemblies formed in the presence of cadmium nitrate: potential applications for isolation of heavier lanthanides","CrystEngComm","2014","16","46","10674","","10.1039/C4CE00870G","","","0.71073","MoKα","","0.0729","0.0503","","","0.1349","0.1441","","","","","","1.052","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218548","35.361","0.005","14.168","0.002","13.4332","0.0019","90","","90","","90","","6730","1.6","223","2","223","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C40 H88 Cl Ho N26 O40 -","- C40 H44 Cl Ho N26 O25 -","- C160 H176 Cl4 Ho4 N104 O100 -","4","0.5","","Zhou, Jia-Jia; Yu, Xin; Zhao, Ying-Chun; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Liu, Jing-Xin; Zhu, Qian-Jiang","Coordination of Ln3+in ortho-tetramethyl-substituted cucurbituril supramolecular assemblies formed in the presence of cadmium nitrate: potential applications for isolation of heavier lanthanides","CrystEngComm","2014","16","46","10674","","10.1039/C4CE00870G","","","0.71073","MoKα","","0.0794","0.0527","","","0.1438","0.154","","","","","","1.053","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218549","35.37","0.004","14.161","0.0017","13.4086","0.0016","90","","90","","90","","6716","1.4","223","2","223","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C40 H86 Cl Er N26 O39 -","- C40 H44 Cl Er N26 O25 -","- C160 H176 Cl4 Er4 N104 O100 -","4","0.5","","Zhou, Jia-Jia; Yu, Xin; Zhao, Ying-Chun; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Liu, Jing-Xin; Zhu, Qian-Jiang","Coordination of Ln3+in ortho-tetramethyl-substituted cucurbituril supramolecular assemblies formed in the presence of cadmium nitrate: potential applications for isolation of heavier lanthanides","CrystEngComm","2014","16","46","10674","","10.1039/C4CE00870G","","","0.71073","MoKα","","0.072","0.0552","","","0.1323","0.1396","","","","","","1.119","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218550","35.285","0.005","14.1423","0.0019","13.3923","0.0018","90","","90","","90","","6682.9","1.6","223","2","223","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C40 H90 Cl N26 O41 Tm -","- C40 H44 Cl N26 O25 Tm -","- C160 H176 Cl4 N104 O100 Tm4 -","4","0.5","","Zhou, Jia-Jia; Yu, Xin; Zhao, Ying-Chun; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Liu, Jing-Xin; Zhu, Qian-Jiang","Coordination of Ln3+in ortho-tetramethyl-substituted cucurbituril supramolecular assemblies formed in the presence of cadmium nitrate: potential applications for isolation of heavier lanthanides","CrystEngComm","2014","16","46","10674","","10.1039/C4CE00870G","","","0.71073","MoKα","","0.0818","0.0533","","","0.144","0.1542","","","","","","1.05","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218551","35.396","0.004","14.1853","0.0018","13.4031","0.0017","90","","90","","90","","6729.7","1.4","223","2","223","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C40 H84 Cl N26 O38 Yb -","- C40 H44 Cl N26 O25 Yb -","- C160 H176 Cl4 N104 O100 Yb4 -","4","0.5","","Zhou, Jia-Jia; Yu, Xin; Zhao, Ying-Chun; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Liu, Jing-Xin; Zhu, Qian-Jiang","Coordination of Ln3+in ortho-tetramethyl-substituted cucurbituril supramolecular assemblies formed in the presence of cadmium nitrate: potential applications for isolation of heavier lanthanides","CrystEngComm","2014","16","46","10674","","10.1039/C4CE00870G","","","0.71073","MoKα","","0.0665","0.0445","","","0.1268","0.1366","","","","","","1.073","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218552","35.247","0.013","14.129","0.005","13.384","0.005","90","","90","","90","","6665","4","223","2","223","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C40 H86 Cl Lu N26 O39 -","- C40 H44 Cl Lu N26 O25 -","- C160 H176 Cl4 Lu4 N104 O100 -","4","0.5","","Zhou, Jia-Jia; Yu, Xin; Zhao, Ying-Chun; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Liu, Jing-Xin; Zhu, Qian-Jiang","Coordination of Ln3+in ortho-tetramethyl-substituted cucurbituril supramolecular assemblies formed in the presence of cadmium nitrate: potential applications for isolation of heavier lanthanides","CrystEngComm","2014","16","46","10674","","10.1039/C4CE00870G","","","0.71073","MoKα","","0.0805","0.0475","","","0.1387","0.1512","","","","","","1.079","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218557","14.5118","0.0003","12.1374","0.0002","7.54977","0.00011","90","","91.1131","0.001","90","","1329.53","0.04","298","2","298","","","","100","","","","LASSBio","5","P 1 21/c 1","-P 2ybc","14","LASSBio-1289","(E)-N-methyl-N'-(thiophen-3-ylm-ethylene)benzo[d][1,3]dioxole-5-carbohydrazide","","- C14 H12 N2 O3 S -","- C14 H12 N2 O3 S -","- C56 H48 N8 O12 S4 -","4","1","","Sato, Juliana Alves Pereira; Costa, Fanny Nascimento; da Rocha, Miguel Divino; Barreiro, Eliezer J.; Fraga, Carlos Alberto Manssour; Punzo, Francesco; Ferreira, Fabio Furlan","Structural characterization of LASSBio-1289: a new vasoactive N-methyl-N-acylhydrazone derivative","CrystEngComm","2015","17","1","165","","10.1039/C4CE02011A","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","0.0062","1.161","","","","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218560","9.072","0.0018","13.14","0.003","30.7","0.006","92.72","0.03","90.2","0.03","90.01","0.03","3655.5","1.3","293","1","100","","","","","","","","","5","P -1","-P 1","2","Y85","","","- C70 H78 Cd2 N14 O16 -","- C70 H78 Cd2 N14 O16 -","- C140 H156 Cd4 N28 O32 -","2","1","","Masoomi, Mohammad Yaser; Morsali, Ali; Junk, Peter C.","Rapid mechanochemical synthesis of two new Cd(ii)-based metal‒organic frameworks with high removal efficiency of Congo red","CrystEngComm","2015","17","3","686","","10.1039/C4CE01783H","","","0.71073","Synchrotron","","0.0953","0.0872","","","0.2533","0.2594","","","","","","1.158","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218561","15.5064","0.001","11.7116","0.0008","29.7359","0.0019","90","","103.601","0.0012","90","","5248.7","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H25 Cd N3 O6 -","- C24 H16 Cd N2 O5 -","- C192 H128 Cd8 N16 O40 -","8","1","","Masoomi, Mohammad Yaser; Morsali, Ali; Junk, Peter C.","Rapid mechanochemical synthesis of two new Cd(ii)-based metal‒organic frameworks with high removal efficiency of Congo red","CrystEngComm","2015","17","3","686","","10.1039/C4CE01783H","","","0.71073","MoKα","","0.0569","0.0334","","","0.0647","0.0682","","","","","","0.998","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218565","10.331","0.004","7.626","0.003","28.392","0.011","90","","90","","90","","2236.8","1.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H7 N O2 S2 -","- C12 H7 N O2 S2 -","- C96 H56 N8 O16 S16 -","8","1","","Lin, Zhenghuan; Mei, Xiaofei; Yang, E.; Li, Xiaoju; Yao, Huimei; Wen, Guixiu; Chien, Ching-Ting; Chow, Tahsin J.; Ling, Qidan","Polymorphism-dependent fluorescence of bisthienylmaleimide with different responses to mechanical crushing and grinding pressure","CrystEngComm","2014","16","48","11018","","10.1039/C4CE00963K","","","0.71073","MoKα","","","0.0825","","","0.254","0.2621","","","","","","1.077","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218566","11.228","0.004","5.689","0.002","17.281","0.007","90","","94.745","0.006","90","","1100.1","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H7 N O2 S2 -","- C12 H7 N O2 S2 -","- C48 H28 N4 O8 S8 -","4","1","","Lin, Zhenghuan; Mei, Xiaofei; Yang, E.; Li, Xiaoju; Yao, Huimei; Wen, Guixiu; Chien, Ching-Ting; Chow, Tahsin J.; Ling, Qidan","Polymorphism-dependent fluorescence of bisthienylmaleimide with different responses to mechanical crushing and grinding pressure","CrystEngComm","2014","16","48","11018","","10.1039/C4CE00963K","","","0.71073","MoKα","","","0.0437","","","0.1191","0.1225","","","","","","1.043","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218567","12.993","0.006","10.604","0.004","12.69","0.006","90","","116.119","0.007","90","","1569.9","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6 Cd Cl N7 O6 -","- C10 H6 Cd Cl N7 O6 -","- C40 H24 Cd4 Cl4 N28 O24 -","4","1","","Pan, Jie; Jiang, Fei-Long; Wu, Ming-Yan; Chen, Lian; Qian, Jin-Jie; Su, Kong-Zhao; Wan, Xiu-Yan; Hong, Mao-Chun","Five novel Zn(ii)/Cd(ii) coordination polymers based on bis(pyrazinyl)-triazole and varied polycarboxylates: syntheses, topologies and photoluminescence","CrystEngComm","2014","16","48","11078","","10.1039/C4CE01959H","","","0.71073","MoKα","","0.0554","0.0406","","","0.1201","0.1539","","","","","","0.992","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218568","16.646","0.009","29.783","0.016","17.274","0.009","90","","90","","90","","8564","8","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C30 H22 Cd4 N14 O14 -","- C30 H22 Cd4 N14 O14 -","- C240 H176 Cd32 N112 O112 -","8","1","","Pan, Jie; Jiang, Fei-Long; Wu, Ming-Yan; Chen, Lian; Qian, Jin-Jie; Su, Kong-Zhao; Wan, Xiu-Yan; Hong, Mao-Chun","Five novel Zn(ii)/Cd(ii) coordination polymers based on bis(pyrazinyl)-triazole and varied polycarboxylates: syntheses, topologies and photoluminescence","CrystEngComm","2014","16","48","11078","","10.1039/C4CE01959H","","","0.71073","MoKα","","0.0614","0.0578","","","0.1732","0.1795","","","","","","1.081","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218569","25.901","0.006","12.953","0.003","36.822","0.008","90","","110.234","0.003","90","","11591","5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H28 Cd4 N21 O14 -","- C50 H27 Cd4 N21 O14 -","- C400 H216 Cd32 N168 O112 -","8","1","","Pan, Jie; Jiang, Fei-Long; Wu, Ming-Yan; Chen, Lian; Qian, Jin-Jie; Su, Kong-Zhao; Wan, Xiu-Yan; Hong, Mao-Chun","Five novel Zn(ii)/Cd(ii) coordination polymers based on bis(pyrazinyl)-triazole and varied polycarboxylates: syntheses, topologies and photoluminescence","CrystEngComm","2014","16","48","11078","","10.1039/C4CE01959H","","","0.71073","MoKα","","0.0562","0.0407","","","0.121","0.1431","","","","","","1.034","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218570","12.994","","16.0641","0.0001","17.3404","0.0004","114.882","0.006","98.214","0.01","102.015","0.008","3101.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C108 H60 Cd9 N42 O30 -","- C108 H60 Cd9 N42 O30 -","- C108 H60 Cd9 N42 O30 -","1","0.5","","Pan, Jie; Jiang, Fei-Long; Wu, Ming-Yan; Chen, Lian; Qian, Jin-Jie; Su, Kong-Zhao; Wan, Xiu-Yan; Hong, Mao-Chun","Five novel Zn(ii)/Cd(ii) coordination polymers based on bis(pyrazinyl)-triazole and varied polycarboxylates: syntheses, topologies and photoluminescence","CrystEngComm","2014","16","48","11078","","10.1039/C4CE01959H","","","0.71073","MoKα","","0.0312","0.027","","","0.0827","0.0926","","","","","","1.039","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218571","9.852","0.003","10.626","0.003","14.145","0.005","82.691","0.008","88.688","0.011","72.313","0.008","1399.1","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H9 N7 O19 Zn2 -","- C22 H9 N7 O19 Zn2 -","- C44 H18 N14 O38 Zn4 -","2","1","","Pan, Jie; Jiang, Fei-Long; Wu, Ming-Yan; Chen, Lian; Qian, Jin-Jie; Su, Kong-Zhao; Wan, Xiu-Yan; Hong, Mao-Chun","Five novel Zn(ii)/Cd(ii) coordination polymers based on bis(pyrazinyl)-triazole and varied polycarboxylates: syntheses, topologies and photoluminescence","CrystEngComm","2014","16","48","11078","","10.1039/C4CE01959H","","","0.71073","MoKα","","0.0368","0.0344","","","0.1002","0.1063","","","","","","1.072","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218580","16.381","0.003","14.17","0.003","19.415","0.004","90","","104.25","0.03","90","","4367.9","1.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H46 N8 O9 Zn -","- C30.4 H29.2 N5.8 O6.8 Zn -","- C121.6 H116.8 N23.2 O27.2 Zn4 -","4","1","","Forgan, Ross S.; Marshall, Ross J.; Struckmann, Mona; Bleine, Aurore B.; Long, De-Liang; Bernini, María C.; Fairen-Jimenez, David","Structure-directing factors when introducing hydrogen bond functionality to metal‒organic frameworks","CrystEngComm","2015","17","2","299","","10.1039/C4CE01379D","","","0.71073","MoKα","","0.1336","0.0905","","","0.245","0.2956","","","","","","1.086","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218581","14.529","0.002","16.543","0.002","21.125","0.003","90","","104.305","0.009","90","","4920","1.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H47 N9 O10 Zn -","- C26.9 H18 N5.3 O6.3 Zn -","- C107.6 H72 N21.2 O25.2 Zn4 -","4","1","","Forgan, Ross S.; Marshall, Ross J.; Struckmann, Mona; Bleine, Aurore B.; Long, De-Liang; Bernini, María C.; Fairen-Jimenez, David","Structure-directing factors when introducing hydrogen bond functionality to metal‒organic frameworks","CrystEngComm","2015","17","2","299","","10.1039/C4CE01379D","","","0.71073","MoKα","","0.1688","0.1026","","","0.2844","0.3282","","","","","","1.098","","","","has coordinates,has disorder","180516","2020-10-21","18:00:00",""
"7218582","15.1431","0.0006","15.2322","0.0006","16.0597","0.0004","98.484","0.002","102.682","0.002","104.206","0.003","3423.1","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C57 H67 N9 O15 Zn2 -","- C44.4 H25 N4.8 O10.8 Zn2 -","- C88.8 H50 N9.6 O21.6 Zn4 -","2","1","","Forgan, Ross S.; Marshall, Ross J.; Struckmann, Mona; Bleine, Aurore B.; Long, De-Liang; Bernini, María C.; Fairen-Jimenez, David","Structure-directing factors when introducing hydrogen bond functionality to metal‒organic frameworks","CrystEngComm","2015","17","2","299","","10.1039/C4CE01379D","","","0.71073","MoKα","","0.0759","0.0662","","","0.2062","0.2157","","","","","","1.062","","","","has coordinates,has disorder","180516","2020-10-21","18:00:00",""
"7218583","19.722","0.0005","28.0588","0.0006","28.0835","0.0004","90","","94.423","0.002","90","","15494.4","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H82 N12 O18 Zn2 -","- C42.25 H26 N4.75 O10.75 Zn2 -","- C338 H208 N38 O86 Zn16 -","8","2","","Forgan, Ross S.; Marshall, Ross J.; Struckmann, Mona; Bleine, Aurore B.; Long, De-Liang; Bernini, María C.; Fairen-Jimenez, David","Structure-directing factors when introducing hydrogen bond functionality to metal‒organic frameworks","CrystEngComm","2015","17","2","299","","10.1039/C4CE01379D","","","0.71073","MoKα","","0.1393","0.0812","","","0.248","0.2952","","","","","","1.054","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218604","14.462","0.002","15.486","0.003","7.4899","0.0012","90","","96.971","0.003","90","","1665","0.5","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C14 H11 Co N3 O8 -","- C14 H9 Co N3 O8 -","- C56 H36 Co4 N12 O32 -","4","0.5","","Li, Quan-Quan; Kang, Yi-Fan; Ren, Chun-Yan; Yang, Guo-Ping; Liu, Qing Liu, Ping; Wang, Yao-Yu","Reaction-controlled assemblies and structural diversities of seven Co(ii)/Cu(ii) complexes based on a bipyridine-dicarboxylate N-oxide ligand","CrystEngComm","2015","17","4","775","","10.1039/C4CE02008A","","","0.71073","MoKα","","0.0897","0.0642","","","0.1755","0.194","","","","","","1.075","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218605","5.8488","0.0013","16.227","0.004","13.164","0.003","90","","91.507","0.003","90","","1248.9","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 Cu N2 O7 -","- C12 H8 Cu N2 O7 -","- C48 H32 Cu4 N8 O28 -","4","1","","Li, Quan-Quan; Kang, Yi-Fan; Ren, Chun-Yan; Yang, Guo-Ping; Liu, Qing Liu, Ping; Wang, Yao-Yu","Reaction-controlled assemblies and structural diversities of seven Co(ii)/Cu(ii) complexes based on a bipyridine-dicarboxylate N-oxide ligand","CrystEngComm","2015","17","4","775","","10.1039/C4CE02008A","","","0.71073","MoKα","","0.0656","0.0408","","","0.1228","0.1756","","","","","","1.075","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218606","9.3276","0.001","11.9664","0.0013","19.099","0.002","90","","92.947","0.002","90","","2129","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H28 Cu2 N8 O12 -","- C48 H28 Cu2 N8 O12 -","- C96 H56 Cu4 N16 O24 -","2","0.5","","Li, Quan-Quan; Kang, Yi-Fan; Ren, Chun-Yan; Yang, Guo-Ping; Liu, Qing Liu, Ping; Wang, Yao-Yu","Reaction-controlled assemblies and structural diversities of seven Co(ii)/Cu(ii) complexes based on a bipyridine-dicarboxylate N-oxide ligand","CrystEngComm","2015","17","4","775","","10.1039/C4CE02008A","","","0.71073","MoKα","","0.0659","0.041","","","0.0877","0.0978","","","","","","1.002","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218607","9.213","0.002","12.19","0.003","12.635","0.003","109.362","0.004","109.077","0.004","91.212","0.004","1251.8","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H48 Cu2 N8 O22 -","- C48 H48 Cu2 N8 O22 -","- C48 H48 Cu2 N8 O22 -","1","0.5","","Li, Quan-Quan; Kang, Yi-Fan; Ren, Chun-Yan; Yang, Guo-Ping; Liu, Qing Liu, Ping; Wang, Yao-Yu","Reaction-controlled assemblies and structural diversities of seven Co(ii)/Cu(ii) complexes based on a bipyridine-dicarboxylate N-oxide ligand","CrystEngComm","2015","17","4","775","","10.1039/C4CE02008A","","","0.71073","MoKα","","0.0538","0.045","","","0.133","0.1567","","","","","","1.052","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218608","9.357","0.004","11.325","0.005","12.54","0.005","64.338","0.006","69.757","0.006","75.003","0.006","1114.4","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H40 Cu2 N8 O18 -","- C44 H40 Cu2 N8 O18 -","- C44 H40 Cu2 N8 O18 -","1","0.5","","Li, Quan-Quan; Kang, Yi-Fan; Ren, Chun-Yan; Yang, Guo-Ping; Liu, Qing Liu, Ping; Wang, Yao-Yu","Reaction-controlled assemblies and structural diversities of seven Co(ii)/Cu(ii) complexes based on a bipyridine-dicarboxylate N-oxide ligand","CrystEngComm","2015","17","4","775","","10.1039/C4CE02008A","","","0.71073","MoKα","","0.0741","0.0559","","","0.1643","0.2373","","","","","","1.028","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218609","18.562","0.0011","3.732","0.0002","18.568","0.0012","90","","93.993","0.006","90","","1283.15","0.13","101.15","0.1","101.15","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C56 H56 N8 O16 -","8","2","","Sullivan, Rachel A.; Davey, Roger J.","Concerning the crystal morphologies of the α and β polymorphs of p-aminobenzoic acid","CrystEngComm","2015","17","5","1015","","10.1039/C4CE01857E","","","0.7107","MoKα","","0.072612","0.051566","","","","0.134828","","","","","","1.07268","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218610","6.2436","0.0009","8.4577","0.0012","12.3655","0.0017","90","","100.198","0.015","90","","642.66","0.16","102.45","0.1","102.45","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C28 H28 N4 O8 -","4","1","","Sullivan, Rachel A.; Davey, Roger J.","Concerning the crystal morphologies of the α and β polymorphs of p-aminobenzoic acid","CrystEngComm","2015","17","5","1015","","10.1039/C4CE01857E","","","0.7107","MoKα","","0.069918","0.056788","","","","0.168259","","","","","","1.05859","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218611","14.8424","0.0019","6.6238","0.0009","11.7467","0.0018","90","","90","","90","","1154.9","0.3","100","2","100","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C8.4 H10.4 Fe N4.6 O1.6 -","- C6 H5 Fe N4 O -","- C24 H20 Fe4 N16 O4 -","4","0.25","","Spirkl, Sebastian; Grzywa, Maciej; Zehe, Christoph S.; Senker, Jürgen; Demeshko, Serhiy; Meyer, Franc; Riegg, Stefan; Volkmer, Dirk","Fe/Ga-CFA-6‒ metal organic frameworks featuring trivalent metal centers and the 4,4′-bipyrazolyl ligand","CrystEngComm","2015","17","2","313","","10.1039/C4CE01583E","","","0.71073","MoKα","","0.0774","0.0475","","","0.1077","0.1165","","","","","","1.04","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218612","14.8281","0.0016","6.4872","0.0005","11.3503","0.0012","90","","90","","90","","1091.82","0.19","293","2","293","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C6 H9 Ga N4 O3 -","- C6 Ga N4 O3 -","- C24 Ga4 N16 O12 -","4","0.25","","Spirkl, Sebastian; Grzywa, Maciej; Zehe, Christoph S.; Senker, Jürgen; Demeshko, Serhiy; Meyer, Franc; Riegg, Stefan; Volkmer, Dirk","Fe/Ga-CFA-6‒ metal organic frameworks featuring trivalent metal centers and the 4,4′-bipyrazolyl ligand","CrystEngComm","2015","17","2","313","","10.1039/C4CE01583E","powder diffraction","","1.5418","CuKα","","0.0683","0.0683","","0.0962","0.0962","","","","3.02","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218646","11.082","0.002","9.182","0.001","16.959","0.002","90","","92.36","0.01","90","","1724.2","0.4","293","2","293","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C9 H20.4 La O13.2 -","- C9 H15 La O13.2 -","- C36 H60 La4 O52.8 -","4","1","","Michaelides, Adonis; Aravia, Maria; Siskos, Michael G.; Skoulika, Stavroula","Photochemical reactivity of a lamellar lanthanum MOF","CrystEngComm","2015","17","1","124","","10.1039/C4CE01396D","","","0.71073","MoKα","","0.054","0.0407","","","0.0996","0.1077","","","","","","1.035","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218656","10.6688","0.0003","11.4952","0.0003","12.9734","0.0003","90","","106.722","0.001","90","","1523.78","0.07","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 Cu N4 O -","- C14 H15 Cu N4 O -","- C56 H60 Cu4 N16 O4 -","4","1","","Hsu, Wayne; Chen, Kuan-Ting; Li, Yu-Sian; Cheng, Po-Wen; Chen, Tsun-Ren; Chen, Jhy-Der","Crystal-to-crystal transformations and photoluminescence changes in the Cu(i) coordination networks based on a formamidinate ligand","CrystEngComm","2014","16","46","10640","","10.1039/C4CE01791A","","","0.71073","MoKα","","0.0458","0.0327","","","0.0843","0.0913","","","","","","1.035","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218657","9.4249","0.0002","14.2699","0.0004","11.4988","0.0003","90","","100.705","0.001","90","","1519.59","0.07","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 Cu N5 O -","- C14 H16 Cu N5 O -","- C56 H64 Cu4 N20 O4 -","4","1","","Hsu, Wayne; Chen, Kuan-Ting; Li, Yu-Sian; Cheng, Po-Wen; Chen, Tsun-Ren; Chen, Jhy-Der","Crystal-to-crystal transformations and photoluminescence changes in the Cu(i) coordination networks based on a formamidinate ligand","CrystEngComm","2014","16","46","10640","","10.1039/C4CE01791A","","","0.71073","MoKα","","0.0404","0.0341","","","0.0973","0.1021","","","","","","1.077","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218658","10.5252","0.0002","11.1791","0.0002","13.0198","0.0002","90","","106.232","0.001","90","","1470.87","0.05","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 Cu N4 O -","- C15 H17 Cu N4 O -","- C60 H68 Cu4 N16 O4 -","4","1","","Hsu, Wayne; Chen, Kuan-Ting; Li, Yu-Sian; Cheng, Po-Wen; Chen, Tsun-Ren; Chen, Jhy-Der","Crystal-to-crystal transformations and photoluminescence changes in the Cu(i) coordination networks based on a formamidinate ligand","CrystEngComm","2014","16","46","10640","","10.1039/C4CE01791A","","","0.71073","MoKα","","0.0339","0.0281","","","0.0723","0.0757","","","","","","1.054","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218659","20.8634","0.0007","21.3369","0.0008","22.7994","0.0008","90","","98.646","0.002","90","","10034","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H44 Cu4 N16 O2 -","- C46 H36 Cu4 N16 O2 -","- C368 H288 Cu32 N128 O16 -","8","1","","Hsu, Wayne; Chen, Kuan-Ting; Li, Yu-Sian; Cheng, Po-Wen; Chen, Tsun-Ren; Chen, Jhy-Der","Crystal-to-crystal transformations and photoluminescence changes in the Cu(i) coordination networks based on a formamidinate ligand","CrystEngComm","2014","16","46","10640","","10.1039/C4CE01791A","","","0.71073","MoKα","","0.1056","0.0595","","","0.1588","0.1776","","","","","","1.031","","","","has coordinates,has disorder","180517","2020-10-21","18:00:00",""
"7218660","20.8705","0.0003","21.3742","0.0003","22.7059","0.0003","90","","99.182","0.001","90","","9999.1","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H48 Cu4 N16 O2 -","- C48 H42 Cu4 N16 O2 -","- C384 H336 Cu32 N128 O16 -","8","1","","Hsu, Wayne; Chen, Kuan-Ting; Li, Yu-Sian; Cheng, Po-Wen; Chen, Tsun-Ren; Chen, Jhy-Der","Crystal-to-crystal transformations and photoluminescence changes in the Cu(i) coordination networks based on a formamidinate ligand","CrystEngComm","2014","16","46","10640","","10.1039/C4CE01791A","","","0.71073","MoKα","","0.0641","0.0414","","","0.1065","0.1176","","","","","","1.039","","","","has coordinates,has disorder","180517","2020-10-21","18:00:00",""
"7218661","21.0123","0.0005","21.4061","0.0005","22.6642","0.0005","90","","99.495","0.001","90","","10054.5","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H52 Cu4 N16 O2 -","- C52 H48 Cu4 N16 O2 -","- C416 H384 Cu32 N128 O16 -","8","1","","Hsu, Wayne; Chen, Kuan-Ting; Li, Yu-Sian; Cheng, Po-Wen; Chen, Tsun-Ren; Chen, Jhy-Der","Crystal-to-crystal transformations and photoluminescence changes in the Cu(i) coordination networks based on a formamidinate ligand","CrystEngComm","2014","16","46","10640","","10.1039/C4CE01791A","","","0.71073","MoKα","","0.0904","0.0578","","","0.1527","0.1706","","","","","","1.073","","","","has coordinates,has disorder","180517","2020-10-21","18:00:00",""
"7218662","16.2527","0.0009","12.3588","0.0008","17.4471","0.001","90","","114.657","0.003","90","","3185","0.3","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 B Cu3 F4 N8 O3 -","- C24 H18 B Cu3 F4 N8 O3 -","- C96 H72 B4 Cu12 F16 N32 O12 -","4","1","","Hsu, Wayne; Chen, Kuan-Ting; Li, Yu-Sian; Cheng, Po-Wen; Chen, Tsun-Ren; Chen, Jhy-Der","Crystal-to-crystal transformations and photoluminescence changes in the Cu(i) coordination networks based on a formamidinate ligand","CrystEngComm","2014","16","46","10640","","10.1039/C4CE01791A","","","0.71073","MoKα","","0.1028","0.0629","","","0.1825","0.209","","","","","","1.044","","","","has coordinates,has disorder","180517","2020-10-21","18:00:00",""
"7218663","16.2717","0.0002","12.6684","0.0002","17.6021","0.0002","90","","112.523","0.001","90","","3351.68","0.08","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Cl Cu3 N8 O5 -","- C24 H18 Cl Cu3 N8 O5 -","- C96 H72 Cl4 Cu12 N32 O20 -","4","1","","Hsu, Wayne; Chen, Kuan-Ting; Li, Yu-Sian; Cheng, Po-Wen; Chen, Tsun-Ren; Chen, Jhy-Der","Crystal-to-crystal transformations and photoluminescence changes in the Cu(i) coordination networks based on a formamidinate ligand","CrystEngComm","2014","16","46","10640","","10.1039/C4CE01791A","","","0.71073","MoKα","","0.0641","0.0457","","","0.1423","0.1562","","","","","","1.05","","","","has coordinates,has disorder","180517","2020-10-21","18:00:00",""
"7218664","27.319","0.003","8.7331","0.0007","55.699","0.008","90","","95.685","0.009","90","","13223","3","298","2","298","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","Hexamethylenetetramine 5,10,15,20-tetra(perfluoro-4'-iodophenyl)porphyrin","","- C50 H22 F16 I4 N8 -","- C50 H22 F16 I4 N8 -","- C400 H176 F128 I32 N64 -","8","2","","Syssa-Magalé, Jean-Laurent; Boubekeur, Kamal; Leroy, Jacques; Chamoreau, Lise-Marie; Fave, Claire; Schöllhorn, Bernd","Directed synthesis of a halogen-bonded open porphyrin network","CrystEngComm","2014","16","45","10380","","10.1039/C4CE01704H","","","0.71073","MoKα","","0.1201","0.0565","","","0.0818","0.1058","","","","","","0.992","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218665","5.8849","0.0013","24.903","0.003","6.2247","0.0008","90","","98.864","0.011","90","","901.3","0.3","250","2","250","2","","","","","","","","5","P 1 m 1","P -2y","6","","Hexamethylenetetramine 1,3,5-Trifluoro-2,4,6-tri-iodobenzene","","- C12 H12 F3 I3 N4 -","- C12 H12 F3 I3 N4 -","- C24 H24 F6 I6 N8 -","2","1","","Syssa-Magalé, Jean-Laurent; Boubekeur, Kamal; Leroy, Jacques; Chamoreau, Lise-Marie; Fave, Claire; Schöllhorn, Bernd","Directed synthesis of a halogen-bonded open porphyrin network","CrystEngComm","2014","16","45","10380","","10.1039/C4CE01704H","","","0.71073","MoKα","","0.0337","0.0292","","","0.0683","0.0699","","","","","","1.043","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218666","6.2751","0.0003","23.2198","0.0011","11.8609","0.0006","90","","103.297","0.005","90","","1681.88","0.15","250","2","250","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,4-Diazabicyclo(2.2.2)octane 1,3,5-Trifluoro-2,4,6-tri-iodobenzene","","- C12 H12 F3 I3 N2 -","- C12 H12 F3 I3 N2 -","- C48 H48 F12 I12 N8 -","4","1","","Syssa-Magalé, Jean-Laurent; Boubekeur, Kamal; Leroy, Jacques; Chamoreau, Lise-Marie; Fave, Claire; Schöllhorn, Bernd","Directed synthesis of a halogen-bonded open porphyrin network","CrystEngComm","2014","16","45","10380","","10.1039/C4CE01704H","","","0.71073","MoKα","","0.0576","0.0342","","","0.0784","0.0972","","","","","","1.089","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218667","4.114","0.0008","9.071","0.0009","24.104","0.005","90","","91.621","0.019","90","","899.2","0.3","250","2","250","2","","","","","","","","5","P 1 n 1","P -2yac","7","","1,3,5-Trifluoro-2,4,6-tri-iodobenzene 4,4'-bipyridine","","- C16 H8 F3 I3 N2 -","- C16 H8 F3 I3 N2 -","- C32 H16 F6 I6 N4 -","2","1","","Syssa-Magalé, Jean-Laurent; Boubekeur, Kamal; Leroy, Jacques; Chamoreau, Lise-Marie; Fave, Claire; Schöllhorn, Bernd","Directed synthesis of a halogen-bonded open porphyrin network","CrystEngComm","2014","16","45","10380","","10.1039/C4CE01704H","","","0.71073","MoKα","","0.0725","0.0566","","","0.1403","0.1488","","","","","","1.07","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218668","6.8359","0.0004","10.9401","0.0006","11.4732","0.0007","107.204","0.005","92.82","0.006","105.33","0.004","782.88","0.09","250","2","250","2","","","","","","","","5","P -1","-P 1","2","","1,4-Diazabicyclo(2.2.2)octane tetrafluoro-1,4-diiodobenzene","","- C12 H12 F4 I2 N2 -","- C12 H12 F4 I2 N2 -","- C24 H24 F8 I4 N4 -","2","1","","Syssa-Magalé, Jean-Laurent; Boubekeur, Kamal; Leroy, Jacques; Chamoreau, Lise-Marie; Fave, Claire; Schöllhorn, Bernd","Directed synthesis of a halogen-bonded open porphyrin network","CrystEngComm","2014","16","45","10380","","10.1039/C4CE01704H","","","0.71073","MoKα","","0.068","0.0337","","","0.0667","0.0756","","","","","","0.99","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218669","14.6834","0.0014","14.9015","0.0014","20.0367","0.0018","90","","107.315","0.001","90","","4185.4","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C67 H90 Ag15 F6 N3 O4 -","- C67 H90 Ag15 F6 N3 O4 -","- C134 H180 Ag30 F12 N6 O8 -","2","0.5","","Zhou, Kun; Qin, Chao; Wang, Xin-Long; Yan, Li-Kai; Shao, Kui-Zhan; Su, Zhong-Min","Ag(i)-mediated formation of a 2D cyano-bridged multinuclear silver(i) alkynyl network coupled with the C‒C bond cleavage of acetonitrile","CrystEngComm","2014","16","45","10376","","10.1039/C4CE01707B","","","0.71073","MoKα","","0.0991","0.0553","","","0.1356","0.1572","","","","","","1.028","","","","has coordinates,has disorder","180517","2020-10-21","18:00:00",""
"7218670","9.733","0.004","9.733","0.004","74.51","0.02","90","","90","","90","","7058","5","333","2","333","2","","","","","","","","6","I 41/a :2","-I 4ad","88","bis(ethylenedithio)tetrathiafulvalenium_tetrabromomanganate(II)_dichlorobenzene_(4/1/1)","","","- C46 H36 Br4 Cl2 Mn S32 -","- C46 H36 Br4 Cl2 Mn S32 -","- C184 H144 Br16 Cl8 Mn4 S128 -","4","0.25","","Zhilyaeva, Elena I.; Shilov, Gennadii V.; Torunova, Svetlana A.; Flakina, Alexandra M.; Lyubovskii, Rustem B.; Pesotskii, Sergey I.; Aldoshin, Sergey M.; Lyubovskaya, Rimma N.","Phase transitions in θ-(ET)4MnBr4(C6H6−nCln) (n = 1, 2) driven by ordering in anion and/or cation layers","CrystEngComm","2014","16","43","10103","","10.1039/C4CE01440E","","","0.71073","MoKα","","0.2577","0.0474","","","0.0767","0.0875","","","","","","0.935","","","","has coordinates,has disorder","288536","2023-12-24","00:28:32",""
"7218671","9.401","0.004","9.981","0.004","74.39","0.04","91.03","0.04","89.57","0.04","89.71","0.04","6979","6","260","2","260","2","","","","","","","","6","I -1","-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)","2","bis(ethylenedithio)tetrathiafulvalenium_tetrabromomanganate(II)_dichlorobenzene_(4/1/1)","","","- C46 H36 Br4 Cl2 Mn S32 -","- C46 H36 Br4 Cl2 Mn S32 -","- C184 H144 Br16 Cl8 Mn4 S128 -","4","","","Zhilyaeva, Elena I.; Shilov, Gennadii V.; Torunova, Svetlana A.; Flakina, Alexandra M.; Lyubovskii, Rustem B.; Pesotskii, Sergey I.; Aldoshin, Sergey M.; Lyubovskaya, Rimma N.","Phase transitions in θ-(ET)4MnBr4(C6H6−nCln) (n = 1, 2) driven by ordering in anion and/or cation layers","CrystEngComm","2014","16","43","10103","","10.1039/C4CE01440E","","","0.71073","MoKα","","0.2171","0.0523","","","0.0871","0.0992","","","","","","0.995","","","","has coordinates","288536","2023-12-24","00:28:33",""
"7218672","9.6621","0.0002","9.6621","0.0002","74.3763","0.0015","90","","90","","90","","6943.5","0.2","260","2","260","2","","","","","","","","6","I 41/a :2","-I 4ad","88","bis(ethylenedithio)tetrathiafulvalenium_tetrabromomanganate(II)_chlorobenzene_(4/1/1)","","","- C46 H37 Br4 Cl Mn S32 -","- C46 H37 Br4 Cl Mn S32 -","- C184 H148 Br16 Cl4 Mn4 S128 -","4","0.25","","Zhilyaeva, Elena I.; Shilov, Gennadii V.; Torunova, Svetlana A.; Flakina, Alexandra M.; Lyubovskii, Rustem B.; Pesotskii, Sergey I.; Aldoshin, Sergey M.; Lyubovskaya, Rimma N.","Phase transitions in θ-(ET)4MnBr4(C6H6−nCln) (n = 1, 2) driven by ordering in anion and/or cation layers","CrystEngComm","2014","16","43","10103","","10.1039/C4CE01440E","","","0.71073","MoKα","","0.0769","0.0497","","","0.1294","0.1581","","","","","","0.925","","","","has coordinates,has disorder","288536","2023-12-24","00:28:33",""
"7218673","9.5178","0.0009","74.375","0.005","9.7697","0.0011","90","","90.326","0.01","90","","6915.7","1.1","220","2","220","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","bis(ethylenedithio)tetrathiafulvalenium_tetrabromomanganate (II)_chlorobenzene_(4/1/1)","","","- C46 H37 Br4 Cl Mn S32 -","- C46 H37 Br4 Cl Mn S32 -","- C184 H148 Br16 Cl4 Mn4 S128 -","4","0.5","","Zhilyaeva, Elena I.; Shilov, Gennadii V.; Torunova, Svetlana A.; Flakina, Alexandra M.; Lyubovskii, Rustem B.; Pesotskii, Sergey I.; Aldoshin, Sergey M.; Lyubovskaya, Rimma N.","Phase transitions in θ-(ET)4MnBr4(C6H6−nCln) (n = 1, 2) driven by ordering in anion and/or cation layers","CrystEngComm","2014","16","43","10103","","10.1039/C4CE01440E","","","0.71073","MoKα","","0.1534","0.1108","","","0.276","0.3274","","","","","","1.043","","","","has coordinates,has disorder","288536","2023-12-24","00:28:33",""
"7218674","17.001","0.0019","19.633","0.002","23.109","0.004","90","","90","","90","","7713.3","1.8","296","2","296","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C16 H15 Mn N3 O5 -","- C12 H6 Mn N2 O4 -","- C192 H96 Mn16 N32 O64 -","16","0.5","","Wang, Jing; Jing, Xuemin; Cao, Yu; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Structural diversity and magnetic properties of three metal‒organic frameworks assembled from a T-shaped linker","CrystEngComm","2015","17","3","604","","10.1039/C4CE01799D","","","0.71073","MoKα","","0.1079","0.075","","","0.2098","0.2325","","","","","","1.105","","","","has coordinates,has disorder","180517","2020-10-21","18:00:00",""
"7218675","24.755","0.003","24.755","0.003","24.755","0.003","90","","90","","90","","15170","3","293","2","293","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C16 H20 Co N2 O7 S2 -","- C14 H12 Co N2 O5 S -","- C336 H288 Co24 N48 O120 S24 -","24","1","","Wang, Jing; Jing, Xuemin; Cao, Yu; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Structural diversity and magnetic properties of three metal‒organic frameworks assembled from a T-shaped linker","CrystEngComm","2015","17","3","604","","10.1039/C4CE01799D","","","0.71073","MoKα","","0.135","0.0885","","","0.2191","0.2466","","","","","","1.078","","","","has coordinates,has disorder","180517","2020-10-21","18:00:00",""
"7218676","11.9082","0.001","8.3277","0.0007","12.7165","0.0011","90","","97.361","0.002","90","","1250.68","0.18","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 Co N2 O6 -","- C12 H8 Co N2 O6 -","- C48 H32 Co4 N8 O24 -","4","1","","Wang, Jing; Jing, Xuemin; Cao, Yu; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Structural diversity and magnetic properties of three metal‒organic frameworks assembled from a T-shaped linker","CrystEngComm","2015","17","3","604","","10.1039/C4CE01799D","","","0.71073","MoKα","","0.0278","0.0264","","","0.0714","0.0724","","","","","","1.095","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218680","9.4847","0.0002","16.2433","0.0003","16.9867","0.0003","97.456","0.001","101.802","0.002","102.069","0.002","2464.05","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H37.33 Cl5 Co N6 O3.67 -","- C14 H37.33 Cl5 Co N6 O3.665 -","- C56 H149.32 Cl20 Co4 N24 O14.66 -","4","2","","Ling, Irene; Sobolev, Alexandre N.; Hashim, Rauzah; Harrowfield, Jack M.","Stereochemistry of cage amine complexes ‒ probing the ligand conformational flexibility with hydrogen bonds","CrystEngComm","2014","16","48","11058","","10.1039/C4CE01980F","","","0.71073","MoKα","","0.0337","0.0286","","","0.0727","0.0755","","","","","","1.004","","","","has coordinates,has disorder","180517","2020-10-21","18:00:00",""
"7218681","9.7649","0.0004","27.6067","0.0008","9.5645","0.0004","90","","117.183","0.005","90","","2293.59","0.18","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H70 Br Cl9 Co2 N12 O5 -","- C28 H70 Br Cl9 Co2 N12 O5 -","- C56 H140 Br2 Cl18 Co4 N24 O10 -","2","0.5","","Ling, Irene; Sobolev, Alexandre N.; Hashim, Rauzah; Harrowfield, Jack M.","Stereochemistry of cage amine complexes ‒ probing the ligand conformational flexibility with hydrogen bonds","CrystEngComm","2014","16","48","11058","","10.1039/C4CE01980F","","","0.71073","MoKα","","0.0873","0.0543","","","0.1532","0.1622","","","","","","1.019","","","","has coordinates,has disorder","180517","2020-10-21","18:00:00",""
"7218682","8.9691","0.0001","15.3233","0.0002","16.3516","0.0002","90","","90","","90","","2247.3","0.05","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H35 Cl3 Co N7 O5 -","- C14 H35 Cl3 Co N7 O5 -","- C56 H140 Cl12 Co4 N28 O20 -","4","1","","Ling, Irene; Sobolev, Alexandre N.; Hashim, Rauzah; Harrowfield, Jack M.","Stereochemistry of cage amine complexes ‒ probing the ligand conformational flexibility with hydrogen bonds","CrystEngComm","2014","16","48","11058","","10.1039/C4CE01980F","","","0.71073","MoKα","","0.0345","0.0326","","","0.0872","0.0884","","","","","","1.005","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218703","11.629","0.004","17.902","0.005","12.38","0.004","90","","109.051","0.006","90","","2436.1","1.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H52 Cd N18 O10 -","- C42 H52 Cd N18 O10 -","- C84 H104 Cd2 N36 O20 -","2","0.5","","Xue, Zhenzhen; Sheng, Tianlu; Wen, Yuehong; Wang, Yong; Hu, Shengmin; Fu, Ruibiao; Wu, Xintao","Effect of anions on the self-assembly of two Cd‒organic frameworks: syntheses, structural diversity and photoluminescence properties","CrystEngComm","2015","17","3","598","","10.1039/C4CE01929F","","","0.71073","MoKα","","0.0458","0.039","","","0.1292","0.1428","","","","","","1.041","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218704","17.573","0.007","16.528","0.007","17.595","0.008","90","","90","","90","","5110","4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H52 Cd Cl2 N16 O12 -","- C42 H52 Cd Cl2 N16 O12 -","- C168 H208 Cd4 Cl8 N64 O48 -","4","0.5","","Xue, Zhenzhen; Sheng, Tianlu; Wen, Yuehong; Wang, Yong; Hu, Shengmin; Fu, Ruibiao; Wu, Xintao","Effect of anions on the self-assembly of two Cd‒organic frameworks: syntheses, structural diversity and photoluminescence properties","CrystEngComm","2015","17","3","598","","10.1039/C4CE01929F","","","0.71073","MoKα","","0.0976","0.085","","","0.1982","0.2095","","","","","","1.064","","","","has coordinates,has disorder","180518","2020-10-21","18:00:00",""
"7218705","10.056","0.002","10.955","0.002","11.676","0.002","113","0.03","97.99","0.03","92.39","0.03","1166","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H20 Cd Cl N3 O4 -","- C25 H20 Cd Cl N3 O4 -","- C50 H40 Cd2 Cl2 N6 O8 -","2","1","","Liu, Lei-Lei; Yu, Cai-Xia; Li, Ya-Ru; Han, Jing-Jing; Ma, Feng-Ji; Ma, Lu-Fang","Positional isomeric effect on the structural variation of Cd(ii) coordination polymers based on flexible linear/V-shaped bipyridyl benzene ligands","CrystEngComm","2015","17","3","653","","10.1039/C4CE01856G","","","0.71073","MoKα","","0.0282","0.0236","","","0.051","0.0531","","","","","","1.055","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218706","20.66","0.004","20.899","0.004","18.58","0.004","90","","102.46","0.03","90","","7833","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C164 H138 Cd4 N20 O33 -","- C164 H138 Cd4 N20 O33 -","- C328 H276 Cd8 N40 O66 -","2","0.5","","Liu, Lei-Lei; Yu, Cai-Xia; Li, Ya-Ru; Han, Jing-Jing; Ma, Feng-Ji; Ma, Lu-Fang","Positional isomeric effect on the structural variation of Cd(ii) coordination polymers based on flexible linear/V-shaped bipyridyl benzene ligands","CrystEngComm","2015","17","3","653","","10.1039/C4CE01856G","","","0.71073","MoKα","","0.0616","0.0354","","","0.0775","0.092","","","","","","1.016","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218707","9.809","0.002","15.607","0.003","16.604","0.003","81.76","0.03","88.16","0.03","72.57","0.03","2400","0.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H40 Cd N6 O9 -","- C51 H40 Cd N6 O9 -","- C102 H80 Cd2 N12 O18 -","2","1","","Liu, Lei-Lei; Yu, Cai-Xia; Li, Ya-Ru; Han, Jing-Jing; Ma, Feng-Ji; Ma, Lu-Fang","Positional isomeric effect on the structural variation of Cd(ii) coordination polymers based on flexible linear/V-shaped bipyridyl benzene ligands","CrystEngComm","2015","17","3","653","","10.1039/C4CE01856G","","","0.71073","MoKα","","0.037","0.0339","","","0.1049","0.108","","","","","","1.08","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218708","9.976","0.002","10.462","0.002","10.933","0.002","81.98","0.03","67.17","0.03","84.87","0.03","1040.6","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H16 Cd N3 O5 -","- C23 H16 Cd N3 O5 -","- C46 H32 Cd2 N6 O10 -","2","1","","Liu, Lei-Lei; Yu, Cai-Xia; Li, Ya-Ru; Han, Jing-Jing; Ma, Feng-Ji; Ma, Lu-Fang","Positional isomeric effect on the structural variation of Cd(ii) coordination polymers based on flexible linear/V-shaped bipyridyl benzene ligands","CrystEngComm","2015","17","3","653","","10.1039/C4CE01856G","","","0.71073","MoKα","","0.0187","0.0177","","","0.0479","0.0488","","","","","","1.067","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218709","9.82","0.002","11.519","0.002","16.954","0.003","101.25","0.03","97.92","0.03","96.46","0.03","1843.7","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H32 Cd N5 O7 -","- C41 H32 Cd N5 O7 -","- C82 H64 Cd2 N10 O14 -","2","1","","Liu, Lei-Lei; Yu, Cai-Xia; Li, Ya-Ru; Han, Jing-Jing; Ma, Feng-Ji; Ma, Lu-Fang","Positional isomeric effect on the structural variation of Cd(ii) coordination polymers based on flexible linear/V-shaped bipyridyl benzene ligands","CrystEngComm","2015","17","3","653","","10.1039/C4CE01856G","","","0.71073","MoKα","","0.0548","0.0421","","","0.1017","0.1155","","","","","","1.065","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218710","12.458","0.003","13.915","0.003","14.341","0.003","74.555","0.003","85.531","0.003","89.871","0.002","2388.5","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- Co2 H40 Mo10 O56 Sm2 -","- Co2 Mo10 O56 Sm2 -","- Co4 Mo20 O112 Sm4 -","2","1","","An, Haiyan; Wang, Lin; Hu, Ying; Fei, Fei","Temperature-induced racemic compounds and chiral conglomerates based on polyoxometalates and lanthanides: syntheses, structures and catalytic properties","CrystEngComm","2015","17","7","1531","","10.1039/C4CE01802H","","","0.71073","MoKα","","0.0478","0.0384","","","0.0981","0.1039","","","","","","1.024","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218711","12.36","0.004","13.803","0.004","14.183","0.004","74.436","0.005","85.442","0.005","89.734","0.005","2323.2","1.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- Co2 Eu2 H40 Mo10 O56 -","- Co2 Eu2 Mo10 O56 -","- Co4 Eu4 Mo20 O112 -","2","1","","An, Haiyan; Wang, Lin; Hu, Ying; Fei, Fei","Temperature-induced racemic compounds and chiral conglomerates based on polyoxometalates and lanthanides: syntheses, structures and catalytic properties","CrystEngComm","2015","17","7","1531","","10.1039/C4CE01802H","","","0.71073","MoKα","","0.1363","0.0977","","","0.2268","0.2496","","","","","","1.072","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218712","10.5118","0.0005","18.6632","0.0008","12.219","0.0006","90","","114.115","0.002","90","","2187.96","0.18","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- Co2 H40 Mo10 N3 O50 Sm -","- Co2 Mo10 N3 O50 Sm -","- Co4 Mo20 N6 O100 Sm2 -","2","1","","An, Haiyan; Wang, Lin; Hu, Ying; Fei, Fei","Temperature-induced racemic compounds and chiral conglomerates based on polyoxometalates and lanthanides: syntheses, structures and catalytic properties","CrystEngComm","2015","17","7","1531","","10.1039/C4CE01802H","","","0.71073","MoKα","","0.0283","0.028","","","0.0743","0.0745","","","","","","1.046","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218713","10.5122","0.0005","18.6663","0.0009","12.2157","0.0006","90","","114.06","0.002","90","","2188.76","0.19","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- Co2 Eu H40 Mo10 N3 O50 -","- Co2 Eu Mo10 N3 O50 -","- Co4 Eu2 Mo20 N6 O100 -","2","1","","An, Haiyan; Wang, Lin; Hu, Ying; Fei, Fei","Temperature-induced racemic compounds and chiral conglomerates based on polyoxometalates and lanthanides: syntheses, structures and catalytic properties","CrystEngComm","2015","17","7","1531","","10.1039/C4CE01802H","","","0.71073","MoKα","","0.0302","0.0301","","","0.0812","0.0813","","","","","","1.054","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218714","13.78516","0.00008","14.11066","0.00008","15.45815","0.00009","90","","101.358","0.0005","90","","2948","0.03","120","2","120","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Complex of Zn-acetate with (E)-3-{[2-(2-aminoethyl)pyridine]- phenylmethylidene}-1,4-dihydro-2H-1-phenylpyrrolo[2,3-b]quinoxalin- 2-one and acetonitrile solvent molecules in the ratio 1:1:1","","- C34 H28 N6 O3 Zn -","- C34 H28 N6 O3 Zn -","- C136 H112 N24 O12 Zn4 -","4","1","","Ostrowska, Katarzyna; Dudek, Łukasz; Grolik, Jarosław; Gryl, Marlena; Stadnicka, Katarzyna","Pyrrolo[2,3-b]quinoxaline with 2-(2-aminoethyl)pyridine chain highly selective fluorescent receptor for Zn2+exhibiting a dual fluorescence and AIEE in crystalline state","CrystEngComm","2015","17","3","498","","10.1039/C4CE01612B","","","1.54184","CuKα","","0.0391","0.039","","","0.1064","0.1064","","","","","","1.091","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218715","12.65632","0.00009","19.63117","0.00011","19.20284","0.00011","90","","97.3451","0.0006","90","","4731.96","0.05","120.05","0.1","120.05","0.1","","","","","","","","4","C 1 c 1","C -2yc","9","","(E)-3-{[2-(2-aminoethyl)pyridine]-phenylmethylidene}-1,4-dihydro-2H-1- phenylpyrrolo[2,3-b]quinoxalin-2-one, racemate of two symmetrically independent conformers","","- C30 H23 N5 O -","- C30 H23 N5 O -","- C240 H184 N40 O8 -","8","2","","Ostrowska, Katarzyna; Dudek, Łukasz; Grolik, Jarosław; Gryl, Marlena; Stadnicka, Katarzyna","Pyrrolo[2,3-b]quinoxaline with 2-(2-aminoethyl)pyridine chain highly selective fluorescent receptor for Zn2+exhibiting a dual fluorescence and AIEE in crystalline state","CrystEngComm","2015","17","3","498","","10.1039/C4CE01612B","","","1.54184","CuKα","","0.0279","0.0277","","","0.0723","0.0725","","","","","","1.036","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218716","5.75094","0.00003","17.80093","0.00008","11.63481","0.00006","90","","98.7275","0.0005","90","","1177.29","0.01","119.9","0.2","119.9","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","(E)-3-{[2-(2-aminoethyl)pyridine]-phenylmethylidene}-1,4-dihydro-2H-1- phenylpyrrolo[2,3-b]quinoxalin-2-one; non centrosymmetric structure containing the molecules with (pR):(pS) configuration ratio = 0.828:0.172","","- C30 H24.32 N5 O1.66 -","- C30 H24.322 N5 O1.661 -","- C60 H48.644 N10 O3.322 -","2","1","","Ostrowska, Katarzyna; Dudek, Łukasz; Grolik, Jarosław; Gryl, Marlena; Stadnicka, Katarzyna","Pyrrolo[2,3-b]quinoxaline with 2-(2-aminoethyl)pyridine chain highly selective fluorescent receptor for Zn2+exhibiting a dual fluorescence and AIEE in crystalline state","CrystEngComm","2015","17","3","498","","10.1039/C4CE01612B","","","1.54184","CuKα","","0.0366","0.0366","","","0.0949","0.0949","","","","","","1.043","","","","has coordinates,has disorder","180518","2020-10-21","18:00:00",""
"7218717","5.2497","0.0003","49.977","0.002","7.6897","0.0005","90","","104.573","0.006","90","","1952.6","0.19","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","melatoninpimelic acid cocrystal","","- C20 H28 N2 O6 -","- C20 H28 N2 O6 -","- C80 H112 N8 O24 -","4","1","","Yan, Yan; Chen, Jia-Mei; Lu, Tong-Bu","Thermodynamics and preliminary pharmaceutical characterization of a melatonin‒pimelic acid cocrystal prepared by a melt crystallization method","CrystEngComm","2015","17","3","612","","10.1039/C4CE01921K","","","1.54184","CuKα","","0.0623","0.0498","","","0.116","0.1225","","","","","","1.123","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218732","13.741","0.0006","13.741","0.0006","13.4117","0.0012","90","","90","","90","","2532.3","0.3","100","2","100","2","","","","","","","","6","I 4","I 4","79","","","","- C24 H36 Cs2 O32 Sr U4 -","- C24 H36 Cs2 O32 Sr U4 -","- C48 H72 Cs4 O64 Sr2 U8 -","2","0.25","","Savchenkov, Anton V.; Klepov, Vladislav V.; Vologzhanina, Anna V.; Serezhkina, Larisa B.; Pushkin, Denis V.; Serezhkin, Viktor N.","Trinuclear {Sr[UO2L3]2(H2O)4} and pentanuclear {Sr[UO2L3]4}2−uranyl monocarboxylate complexes (L-acetate or n-butyrate ion)","CrystEngComm","2015","17","4","740","","10.1039/C4CE02103G","","","0.71073","MoKα","","0.0423","0.0346","","","0.0616","0.0632","","","","","","1.002","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218733","17.212","0.003","17.212","0.003","28.578","0.007","90","","90","","90","","8466","3","100","2","100","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C36 H82 O62 Sr3 U6 -","- C36 H82 O62 Sr3 U6 -","- C144 H328 O248 Sr12 U24 -","4","0.25","","Savchenkov, Anton V.; Klepov, Vladislav V.; Vologzhanina, Anna V.; Serezhkina, Larisa B.; Pushkin, Denis V.; Serezhkin, Viktor N.","Trinuclear {Sr[UO2L3]2(H2O)4} and pentanuclear {Sr[UO2L3]4}2−uranyl monocarboxylate complexes (L-acetate or n-butyrate ion)","CrystEngComm","2015","17","4","740","","10.1039/C4CE02103G","","","0.71073","MoKα","","0.0818","0.0792","","","0.1829","0.184","","","","","","1.593","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218734","13.4543","0.001","18.4479","0.0014","16.4994","0.0012","90","","90","","90","","4095.2","0.5","170","2","170","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C24 H54 O22 Sr U2 -","- C24 H54 O22 Sr U2 -","- C96 H216 O88 Sr4 U8 -","4","1","","Savchenkov, Anton V.; Klepov, Vladislav V.; Vologzhanina, Anna V.; Serezhkina, Larisa B.; Pushkin, Denis V.; Serezhkin, Viktor N.","Trinuclear {Sr[UO2L3]2(H2O)4} and pentanuclear {Sr[UO2L3]4}2−uranyl monocarboxylate complexes (L-acetate or n-butyrate ion)","CrystEngComm","2015","17","4","740","","10.1039/C4CE02103G","","","0.71073","MoKα","","0.0773","0.0485","","","0.0912","0.1025","","","","","","1.014","","","","has coordinates,has disorder","180518","2020-10-21","18:00:00",""
"7218742","6.2212","0.0003","6.4416","0.0003","12.32","0.0006","96.924","0.004","103.818","0.004","97.07","0.004","469.99","0.04","292","2","292","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H4 S12 -","- C14 H4 S12 -","- C14 H4 S12 -","1","0.5","","Fang, Qi; Chen, Hong-feng; Lei, Hong; Xue, Gang; Chen, Xia","Full-capped 12-S-atom TTP derivatives (BV-TTP, BE-TTP, EM-TTP and EV-TTP): syntheses, structures and charge transport properties","CrystEngComm","2015","17","4","787","","10.1039/C4CE01928H","","","0.71073","MoKα","","0.0937","0.0418","","","0.0797","0.0942","","","","","","0.928","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218743","6.4084","0.0004","17.7164","0.0012","9.0918","0.0006","90","","109.547","0.004","90","","972.74","0.11","210","2","210","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H4 S12 -","- C14 H4 S12 -","- C28 H8 S24 -","2","1","","Fang, Qi; Chen, Hong-feng; Lei, Hong; Xue, Gang; Chen, Xia","Full-capped 12-S-atom TTP derivatives (BV-TTP, BE-TTP, EM-TTP and EV-TTP): syntheses, structures and charge transport properties","CrystEngComm","2015","17","4","787","","10.1039/C4CE01928H","","","0.71073","MoKα","","0.0786","0.0386","","","0.061","0.0684","","","","","","0.814","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218744","11.955","0.002","5.8261","0.001","29.396","0.005","90","","90.861","0.002","90","","2047.2","0.6","294","2","294","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","BEDT-TTP","","","- C14 H8 S12 -","- C14 H8 S12 -","- C56 H32 S48 -","4","0.5","","Fang, Qi; Chen, Hong-feng; Lei, Hong; Xue, Gang; Chen, Xia","Full-capped 12-S-atom TTP derivatives (BV-TTP, BE-TTP, EM-TTP and EV-TTP): syntheses, structures and charge transport properties","CrystEngComm","2015","17","4","787","","10.1039/C4CE01928H","","","0.71073","MoKα","","0.0663","0.0536","","","0.1305","0.1361","","","","","","0.987","","","","has coordinates,has disorder","180518","2020-10-21","18:00:00",""
"7218745","6.4227","0.0004","9.4246","0.0005","16.9326","0.0009","83.89","0.003","81.735","0.003","70.108","0.003","951.97","0.09","150","2","150","2","","","","","","","","3","P -1","-P 1","2","EMDT-TTP","","","- C13 H6 S12 -","- C13 H6 S12 -","- C26 H12 S24 -","2","1","","Fang, Qi; Chen, Hong-feng; Lei, Hong; Xue, Gang; Chen, Xia","Full-capped 12-S-atom TTP derivatives (BV-TTP, BE-TTP, EM-TTP and EV-TTP): syntheses, structures and charge transport properties","CrystEngComm","2015","17","4","787","","10.1039/C4CE01928H","","","0.71069","MoKα","","0.0797","0.0572","","","0.1241","0.1336","","","","","","0.906","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218746","6.4572","0.0001","19.2326","0.0002","24.0962","0.0002","90","","97.446","0.001","90","","2967.24","0.06","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H6 S12 -","- C14 H6 S12 -","- C84 H36 S72 -","6","1.5","","Fang, Qi; Chen, Hong-feng; Lei, Hong; Xue, Gang; Chen, Xia","Full-capped 12-S-atom TTP derivatives (BV-TTP, BE-TTP, EM-TTP and EV-TTP): syntheses, structures and charge transport properties","CrystEngComm","2015","17","4","787","","10.1039/C4CE01928H","","","0.71073","MoKα","","0.0717","0.0377","","","0.0836","0.0908","","","","","","0.909","","","","has coordinates,has disorder","180518","2020-10-21","18:00:00",""
"7218757","8.241","0.002","9.61","0.003","9.79","0.003","87.334","0.009","71.536","0.008","84.334","0.009","731.7","0.4","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H16 N2 S -","- C17 H16 N2 S -","- C34 H32 N4 S2 -","2","1","","Zhang, Xinyuan; Jiang, Xingxing; Li, Yin; Lin, Zheshuai; Zhang, Guochun; Wu, Yicheng","Synthesis, crystal growth, and second-order nonlinear optical properties of new configurationally locked polyene derivatives","CrystEngComm","2015","17","5","1050","","10.1039/C4CE01708K","","","0.71073","MoKα","","0.0484","0.0387","","","0.0847","0.0884","","","","","","1.002","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7218758","9.1048","0.0019","7.4536","0.0015","23.795","0.005","90","","95.952","0.004","90","","1606.1","0.6","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 N2 S -","- C18 H18 N2 S -","- C72 H72 N8 S4 -","4","1","","Zhang, Xinyuan; Jiang, Xingxing; Li, Yin; Lin, Zheshuai; Zhang, Guochun; Wu, Yicheng","Synthesis, crystal growth, and second-order nonlinear optical properties of new configurationally locked polyene derivatives","CrystEngComm","2015","17","5","1050","","10.1039/C4CE01708K","","","0.71073","MoKα","","0.059","0.0495","","","0.115","0.1218","","","","","","0.999","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7218759","5.9539","0.0012","7.3758","0.0015","22.019","0.005","90","","91.787","0.003","90","","966.5","0.4","153","2","153","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H22 N2 -","- C25 H22 N2 -","- C50 H44 N4 -","2","1","","Zhang, Xinyuan; Jiang, Xingxing; Li, Yin; Lin, Zheshuai; Zhang, Guochun; Wu, Yicheng","Synthesis, crystal growth, and second-order nonlinear optical properties of new configurationally locked polyene derivatives","CrystEngComm","2015","17","5","1050","","10.1039/C4CE01708K","","","0.71073","MoKα","","0.0479","0.0398","","","0.0955","0.0996","","","","","","1","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218760","8.7434","0.0013","13.538","0.002","17.321","0.003","88.079","0.005","84.857","0.005","77.108","0.005","1990.3","0.5","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H26 N2 -","- C23 H26 N2 -","- C92 H104 N8 -","4","2","","Zhang, Xinyuan; Jiang, Xingxing; Li, Yin; Lin, Zheshuai; Zhang, Guochun; Wu, Yicheng","Synthesis, crystal growth, and second-order nonlinear optical properties of new configurationally locked polyene derivatives","CrystEngComm","2015","17","5","1050","","10.1039/C4CE01708K","","","0.71073","MoKα","","0.0844","0.0599","","","0.1246","0.1395","","","","","","0.999","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218761","5.9789","0.0015","7.3765","0.0018","43.952","0.011","90","","91.422","0.004","90","","1937.8","0.8","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 N2 -","- C25 H22 N2 -","- C100 H88 N8 -","4","1","","Zhang, Xinyuan; Jiang, Xingxing; Li, Yin; Lin, Zheshuai; Zhang, Guochun; Wu, Yicheng","Synthesis, crystal growth, and second-order nonlinear optical properties of new configurationally locked polyene derivatives","CrystEngComm","2015","17","5","1050","","10.1039/C4CE01708K","","","0.71073","MoKα","","0.0993","0.0892","","","0.2023","0.2094","","","","","","1.002","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218771","10.11","0.002","10.525","0.002","12.221","0.002","77.69","0.03","81.26","0.03","82.69","0.03","1249.7","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","vanillic acid (bis) caffeine co-crystal","","- C24 H28 N8 O8 -","- C24 H28 N8 O8 -","- C48 H56 N16 O16 -","2","1","","Jacobs, Ayesha; Amombo Noa, Francoise M.","Co-crystals and co-crystal hydrates of vanillic acid","CrystEngComm","2015","17","1","98","","10.1039/C4CE01795A","","","0.71073","MoKα","","0.0782","0.0542","","","0.1448","0.1605","","","","","","1.033","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218772","11.2741","0.0006","15.7712","0.001","13.3746","0.0008","90","","90.572","0.002","90","","2378","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(bis) vanillic acid theophylline co-crystal","","- C23 H23 N4 O10 -","- C23 H23 N4 O10 -","- C92 H92 N16 O40 -","4","1","","Jacobs, Ayesha; Amombo Noa, Francoise M.","Co-crystals and co-crystal hydrates of vanillic acid","CrystEngComm","2015","17","1","98","","10.1039/C4CE01795A","","","0.71073","MoKα","","0.0653","0.047","","","0.1195","0.1299","","","","","","1.047","","","","has coordinates,has disorder","180518","2020-10-21","18:00:00",""
"7218773","8.2148","0.0016","8.2504","0.0017","13.132","0.003","102.82","0.03","97.46","0.03","93.98","0.03","856","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","vanillic acid theobromine co-crystal dihydrate","","- C15 H20 N4 O8 -","- C15 H20 N4 O8 -","- C30 H40 N8 O16 -","2","1","","Jacobs, Ayesha; Amombo Noa, Francoise M.","Co-crystals and co-crystal hydrates of vanillic acid","CrystEngComm","2015","17","1","98","","10.1039/C4CE01795A","","","0.71073","MoKα","","0.0609","0.0415","","","0.1045","0.1156","","","","","","1.027","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218774","8.469","0.0017","22.621","0.005","8.9534","0.0018","90","","90.68","0.03","90","","1715.1","0.6","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","vanillic acid acridine co-crystal","","- C21 H17 N O4 -","- C21 H17 N O4 -","- C84 H68 N4 O16 -","4","1","","Jacobs, Ayesha; Amombo Noa, Francoise M.","Co-crystals and co-crystal hydrates of vanillic acid","CrystEngComm","2015","17","1","98","","10.1039/C4CE01795A","","","0.71073","MoKα","","0.1092","0.0511","","","0.1057","0.1276","","","","","","0.965","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218775","4.8723","0.001","8.0058","0.0016","18.018","0.004","78.85","0.03","84.5","0.03","75.62","0.03","667.1","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","vanillic acid nicotinamide co-crystal","","- C14 H14 N2 O5 -","- C14 H14 N2 O5 -","- C28 H28 N4 O10 -","2","1","","Jacobs, Ayesha; Amombo Noa, Francoise M.","Co-crystals and co-crystal hydrates of vanillic acid","CrystEngComm","2015","17","1","98","","10.1039/C4CE01795A","","","0.71073","MoKα","","0.0678","0.0442","","","0.1042","0.1164","","","","","","1.005","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218776","7.9","0.0016","13.196","0.003","13.735","0.003","85.02","0.03","85.32","0.03","78.68","0.03","1395.6","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","(bis)vanillic acid (bis)isonicotinamide dihydrate","","- C14 H16 N2 O6 -","- C14 H16 N2 O6 -","- C56 H64 N8 O24 -","4","2","","Jacobs, Ayesha; Amombo Noa, Francoise M.","Co-crystals and co-crystal hydrates of vanillic acid","CrystEngComm","2015","17","1","98","","10.1039/C4CE01795A","","","0.71073","MoKα","","0.0967","0.0511","","","0.1183","0.1414","","","","","","1.021","","","","has coordinates","182221","2020-10-21","18:00:00",""
"7218777","6.9821","0.0014","10.232","0.002","15.388","0.003","99.68","0.03","95.37","0.03","103.46","0.03","1043.8","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","(bis) vanillic acid (bis) urea","","- C9 H12 N2 O5 -","- C9 H12 N2 O5 -","- C36 H48 N8 O20 -","4","2","","Jacobs, Ayesha; Amombo Noa, Francoise M.","Co-crystals and co-crystal hydrates of vanillic acid","CrystEngComm","2015","17","1","98","","10.1039/C4CE01795A","","","0.71073","MoKα","","0.0845","0.0474","","","0.1024","0.1191","","","","","","0.969","","","","has coordinates","182221","2020-10-21","18:00:00",""
"7218791","20.6425","0.0014","8.8968","0.0006","11.2958","0.001","90","","104.4","0.004","90","","2009.3","0.3","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(2-phenoxy-4(4-phenyl-1H-1,2,3-triazole-1-yl)phenyl)methanesulfonamide","","- C21 H18 N4 O3 S -","- C21 H18 N4 O3 S -","- C84 H72 N16 O12 S4 -","4","1","","Dey, Tanusri; Ghosh, Soumen; Mareddy, Jyoti; Anireddy, Jayashree; Pal, Sarbani; Mukherjee, Alok K.","Structural study of three nimesulidetriazole derivatives using X-ray powder diffraction: effect of substitution on supramolecular assembly","CrystEngComm","2015","17","4","764","","10.1039/C4CE01650E","powder diffraction","x-ray","1.5418","","","","","","","","","0.09093","","1.22","","","","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218792","22.203","0.0018","8.9419","0.0007","11.2575","0.001","90","","103.79","0.006","90","","2170.6","0.3","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(2-phenoxy-4-(4-p-tolyl-1H-1,2,3-triazole-1-yl)phenyl)methanesulfonamide","","- C22 H20 N4 O3 S -","- C22 H20 N4 O3 S -","- C88 H80 N16 O12 S4 -","4","1","","Dey, Tanusri; Ghosh, Soumen; Mareddy, Jyoti; Anireddy, Jayashree; Pal, Sarbani; Mukherjee, Alok K.","Structural study of three nimesulidetriazole derivatives using X-ray powder diffraction: effect of substitution on supramolecular assembly","CrystEngComm","2015","17","4","764","","10.1039/C4CE01650E","powder diffraction","x-ray","1.5418","","","","","","","","","0.0523","","1.4","","","","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218793","21.5451","0.0013","10.1672","0.0007","10.6966","0.001","90","","103.713","0.005","90","","2276.3","0.3","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N-(4-(4-((4-chloro-3-methylphenoxy)methyl)-1H-1,2,3-triazole-1-yl)-2-phenoxyphenyl)methanesulfonamide","","- C23 H21 Cl N4 O4 S -","- C23 H21 Cl N4 O4 S -","- C92 H84 Cl4 N16 O16 S4 -","4","1","","Dey, Tanusri; Ghosh, Soumen; Mareddy, Jyoti; Anireddy, Jayashree; Pal, Sarbani; Mukherjee, Alok K.","Structural study of three nimesulidetriazole derivatives using X-ray powder diffraction: effect of substitution on supramolecular assembly","CrystEngComm","2015","17","4","764","","10.1039/C4CE01650E","powder diffraction","x-ray","1.5418","","","","","","","","","0.13976","","1.49","","","","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218794","9.3395","0.0003","12.6055","0.0004","16.7998","0.0006","87.865","0.002","76.551","0.002","73.18","0.002","1840.33","0.11","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H26 Ag2 F10 N4 O7 S2 -","- C28 H24 Ag2 F10 N4 O7 S2 -","- C56 H48 Ag4 F20 N8 O14 S4 -","2","1","","Wan, Chong-Qing; Sun, Xiao-Li; Li, Ai-Min; Sun, Xin-Zhan; Lee, Hung Kay; Han, Hong-Liang; Che, Guang-Bo","A series of silver(i) coordination polymers of a new linear 4-((pyridin-4-ylthio)methyl)pyridine ligand: the role of organic and inorganic anions","CrystEngComm","2015","17","4","797","","10.1039/C4CE02029D","","","0.71073","MoKα","","0.085","0.0579","","","0.1534","0.1765","","","","","","1.026","","","","has coordinates","180518","2020-10-21","18:00:00",""
"7218795","10.6624","0.001","13.8203","0.001","12.4355","0.001","90","","109.075","0.004","90","","1731.8","0.3","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H36 Ag2 N4 O11 S2 -","- C25 H36 Ag2 N4 O11 S2 -","- C50 H72 Ag4 N8 O22 S4 -","2","1","","Wan, Chong-Qing; Sun, Xiao-Li; Li, Ai-Min; Sun, Xin-Zhan; Lee, Hung Kay; Han, Hong-Liang; Che, Guang-Bo","A series of silver(i) coordination polymers of a new linear 4-((pyridin-4-ylthio)methyl)pyridine ligand: the role of organic and inorganic anions","CrystEngComm","2015","17","4","797","","10.1039/C4CE02029D","","","0.71073","MoKα","","0.1597","0.0729","","","0.1883","0.2336","","","","","","0.987","","","","has coordinates,has disorder","180518","2020-10-21","18:00:00",""
"7218796","11.2445","0.0004","13.1403","0.0004","13.7311","0.0005","77.007","0.002","77.419","0.002","68.795","0.002","1822.13","0.11","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H28 Ag2 F6 N4 O6 S2 -","- C29 H28 Ag2 F6 N4 O6 S2 -","- C58 H56 Ag4 F12 N8 O12 S4 -","2","1","","Wan, Chong-Qing; Sun, Xiao-Li; Li, Ai-Min; Sun, Xin-Zhan; Lee, Hung Kay; Han, Hong-Liang; Che, Guang-Bo","A series of silver(i) coordination polymers of a new linear 4-((pyridin-4-ylthio)methyl)pyridine ligand: the role of organic and inorganic anions","CrystEngComm","2015","17","4","797","","10.1039/C4CE02029D","","","0.71073","MoKα","","0.1116","0.0646","","","0.1774","0.2056","","","","","","1.048","","","","has coordinates,has disorder","180518","2020-10-21","18:00:00",""
"7218797","22.109","0.016","18.66","0.014","18.8","0.02","90","","115.532","0.018","90","","6999","10","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H40 Ag2 N4 O9 S2 -","- C30 H40 Ag2 N4 O9 S2 -","- C240 H320 Ag16 N32 O72 S16 -","8","1","","Wan, Chong-Qing; Sun, Xiao-Li; Li, Ai-Min; Sun, Xin-Zhan; Lee, Hung Kay; Han, Hong-Liang; Che, Guang-Bo","A series of silver(i) coordination polymers of a new linear 4-((pyridin-4-ylthio)methyl)pyridine ligand: the role of organic and inorganic anions","CrystEngComm","2015","17","4","797","","10.1039/C4CE02029D","","","0.71073","MoKα","","0.2169","0.0866","","","0.1918","0.2564","","","","","","1.024","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7218798","8.0768","0.0004","9.1756","0.0005","11.7609","0.0006","96.798","0.004","93.784","0.003","111.74","0.003","798.19","0.07","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H16 Ag N2 O4 S -","- C15 H16 Ag N2 O4 S -","- C30 H32 Ag2 N4 O8 S2 -","2","1","","Wan, Chong-Qing; Sun, Xiao-Li; Li, Ai-Min; Sun, Xin-Zhan; Lee, Hung Kay; Han, Hong-Liang; Che, Guang-Bo","A series of silver(i) coordination polymers of a new linear 4-((pyridin-4-ylthio)methyl)pyridine ligand: the role of organic and inorganic anions","CrystEngComm","2015","17","4","797","","10.1039/C4CE02029D","","","0.71073","MoKα","","0.0603","0.0496","","","0.13","0.1375","","","","","","1.064","","","","has coordinates,has disorder","180518","2020-10-21","18:00:00",""
"7218799","26.2359","0.0013","9.2864","0.0005","17.9373","0.0009","90","","130.057","0.003","90","","3345","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 Ag N2 O3 S -","- C18 H16 Ag N2 O3 S -","- C144 H128 Ag8 N16 O24 S8 -","8","1","","Wan, Chong-Qing; Sun, Xiao-Li; Li, Ai-Min; Sun, Xin-Zhan; Lee, Hung Kay; Han, Hong-Liang; Che, Guang-Bo","A series of silver(i) coordination polymers of a new linear 4-((pyridin-4-ylthio)methyl)pyridine ligand: the role of organic and inorganic anions","CrystEngComm","2015","17","4","797","","10.1039/C4CE02029D","","","0.71073","MoKα","","0.0569","0.0366","","","0.0837","0.0927","","","","","","1.057","","","","has coordinates,has disorder","180518","2020-10-21","18:00:00",""
"7218800","10.775","0.003","8.596","0.002","16.451","0.005","90","","123.909","0.011","90","","1264.6","0.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 Ag N3 O3 S -","- C11 H10 Ag N3 O3 S -","- C44 H40 Ag4 N12 O12 S4 -","4","1","","Wan, Chong-Qing; Sun, Xiao-Li; Li, Ai-Min; Sun, Xin-Zhan; Lee, Hung Kay; Han, Hong-Liang; Che, Guang-Bo","A series of silver(i) coordination polymers of a new linear 4-((pyridin-4-ylthio)methyl)pyridine ligand: the role of organic and inorganic anions","CrystEngComm","2015","17","4","797","","10.1039/C4CE02029D","","","0.71073","MoKα","","0.1294","0.0588","","","0.1431","0.172","","","","","","0.969","","","","has coordinates,has disorder","180519","2020-10-21","18:00:00",""
"7218801","13.647","0.0019","6.7053","0.0012","14.644","0.003","90","","91.048","0.009","90","","1339.8","0.4","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 Ag B F4 N2 S -","- C11 H10 Ag B F4 N2 S -","- C44 H40 Ag4 B4 F16 N8 S4 -","4","1","","Wan, Chong-Qing; Sun, Xiao-Li; Li, Ai-Min; Sun, Xin-Zhan; Lee, Hung Kay; Han, Hong-Liang; Che, Guang-Bo","A series of silver(i) coordination polymers of a new linear 4-((pyridin-4-ylthio)methyl)pyridine ligand: the role of organic and inorganic anions","CrystEngComm","2015","17","4","797","","10.1039/C4CE02029D","","","0.71073","MoKα","","0.0687","0.0495","","","0.1575","0.1699","","","","","","1.118","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218802","13.8424","0.0006","16.8817","0.0008","13.4428","0.0006","90","","90","","90","","3141.4","0.2","296","2","296","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C12 H11 Ag F3 N2 O3.5 S2 -","- C12 H10 Ag F3 N2 O3.5 S2 -","- C96 H80 Ag8 F24 N16 O28 S16 -","8","1","","Wan, Chong-Qing; Sun, Xiao-Li; Li, Ai-Min; Sun, Xin-Zhan; Lee, Hung Kay; Han, Hong-Liang; Che, Guang-Bo","A series of silver(i) coordination polymers of a new linear 4-((pyridin-4-ylthio)methyl)pyridine ligand: the role of organic and inorganic anions","CrystEngComm","2015","17","4","797","","10.1039/C4CE02029D","","","0.71073","MoKα","","0.0663","0.0482","","","0.1218","0.1332","","","","","","1.037","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218803","10.267","0.004","12.136","0.006","22.648","0.01","102.16","0.03","95.99","0.03","102.8","0.03","2656","2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H39 Ag3 N6 O9.25 S3 -","- C39 H35 Ag3 N6 O9.25 S3 -","- C78 H70 Ag6 N12 O18.5 S6 -","2","1","","Wan, Chong-Qing; Sun, Xiao-Li; Li, Ai-Min; Sun, Xin-Zhan; Lee, Hung Kay; Han, Hong-Liang; Che, Guang-Bo","A series of silver(i) coordination polymers of a new linear 4-((pyridin-4-ylthio)methyl)pyridine ligand: the role of organic and inorganic anions","CrystEngComm","2015","17","4","797","","10.1039/C4CE02029D","","","0.71073","MoKα","","0.2515","0.1096","","","0.2943","0.3996","","","","","","1.023","","","","has coordinates,has disorder","180519","2020-10-21","18:00:00",""
"7218804","12.7515","0.0007","13.5858","0.0007","21.4957","0.0014","107.207","0.005","99.278","0.005","103.727","0.005","3346.4","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C59 H55 N0 O37 -","- C59 H55 O36.926 -","- C118 H110 O73.852 -","2","1","","Danylyuk, Oksana; Sashuk, Volodymyr","Solid-state assembly of carboxylic acid substituted pillar[5]arene and its host‒guest complex with tetracaine","CrystEngComm","2015","17","4","719","","10.1039/C4CE02093F","","","1.54184","CuKα","","0.096","0.084","","","0.2469","0.2611","","","","","","1.039","","","","has coordinates,has disorder","180519","2020-10-21","18:00:00",""
"7218805","17.0487","0.0009","21.1862","0.0008","24.7335","0.001","76.225","0.003","80.707","0.004","85.563","0.004","8555.8","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C155 H152 N6 O84 -","- C155 H155 N6 O83.906 -","- C310 H310 N12 O167.812 -","2","1","","Danylyuk, Oksana; Sashuk, Volodymyr","Solid-state assembly of carboxylic acid substituted pillar[5]arene and its host‒guest complex with tetracaine","CrystEngComm","2015","17","4","719","","10.1039/C4CE02093F","","","1.54184","CuKα","","0.2314","0.1455","","","0.3515","0.4271","","","","","","1.061","","","","has coordinates,has disorder","180519","2020-10-21","18:00:00",""
"7218806","5.2426","0.0008","11.965","0.002","12.256","0.002","75.126","0.011","87.661","0.01","83.717","0.011","738.5","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","ADI","","","- C26 H30 N12 O8 -","- C26 H30 N12 O8 -","- C26 H30 N12 O8 -","1","0.5","","Wang, Jian-Rong; Ye, Chanjuan; Zhu, Bingqing; Zhou, Chun; Mei, Xuefeng","Pharmaceutical cocrystals of the anti-tuberculosis drug pyrazinamide with dicarboxylic and tricarboxylic acids","CrystEngComm","2015","17","4","747","","10.1039/C4CE02044H","","","0.71073","MoKα","","0.0741","0.0398","","","0.0874","0.1007","","","","","","1.006","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218807","5.0909","0.0004","5.4368","0.0005","20.3002","0.0017","88.781","0.005","83.38","0.005","86.981","0.006","557.29","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","PZA-SEB","","","- C20 H28 N6 O6 -","- C20 H28 N6 O6 -","- C20 H28 N6 O6 -","1","0.5","","Wang, Jian-Rong; Ye, Chanjuan; Zhu, Bingqing; Zhou, Chun; Mei, Xuefeng","Pharmaceutical cocrystals of the anti-tuberculosis drug pyrazinamide with dicarboxylic and tricarboxylic acids","CrystEngComm","2015","17","4","747","","10.1039/C4CE02044H","","","0.71073","MoKα","","0.0486","0.0368","","","0.0954","0.1017","","","","","","1.054","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218808","5.063","0.0011","10.312","0.003","12.716","0.003","92.328","0.016","101.006","0.015","92.647","0.017","650.2","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","4","","","- C11 H11 N3 O7 -","- C11 H11 N3 O7 -","- C22 H22 N6 O14 -","2","1","","Wang, Jian-Rong; Ye, Chanjuan; Zhu, Bingqing; Zhou, Chun; Mei, Xuefeng","Pharmaceutical cocrystals of the anti-tuberculosis drug pyrazinamide with dicarboxylic and tricarboxylic acids","CrystEngComm","2015","17","4","747","","10.1039/C4CE02044H","","","0.71073","MoKα","","0.1122","0.0816","","","0.2465","0.2609","","","","","","1.183","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218809","5.4495","0.0002","11.784","0.0003","12.025","0.0004","117.195","0.002","93.573","0.002","96.119","0.002","677.53","0.04","296","2","296","2","","","","","","","","4","P -1","-P 1","2","PZA-SEB","","","- C11 H13 N3 O8 -","- C11 H13 N3 O8 -","- C22 H26 N6 O16 -","2","1","","Wang, Jian-Rong; Ye, Chanjuan; Zhu, Bingqing; Zhou, Chun; Mei, Xuefeng","Pharmaceutical cocrystals of the anti-tuberculosis drug pyrazinamide with dicarboxylic and tricarboxylic acids","CrystEngComm","2015","17","4","747","","10.1039/C4CE02044H","","","0.71073","MoKα","","0.0516","0.0342","","","0.0774","0.0847","","","","","","1.031","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218810","11.189","0.002","6.536","0.0013","21.527","0.004","90","","102.41","0.03","90","","1537.5","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-Adamantan-1-yl-4-methyl-benzenesulfonamide","","- C17 H23 N O2 S -","- C17 H23 N O2 S -","- C68 H92 N4 O8 S4 -","4","1","","Perlovich, German L.; Ryzhakov, Alex M.; Tkachev, Valery V.; Proshin, Alexey N.","Adamantane derivatives of sulfonamide molecular crystals: structure, sublimation thermodynamic characteristics, molecular packing, and hydrogen bond networks","CrystEngComm","2015","17","4","753","","10.1039/C4CE02076F","","","0.71073","MoKα","","0.0683","0.0468","","","0.1523","0.1609","","","","","","1.03","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218811","11.977","0.001","10.516","0.001","11.29","0.001","90","","90","","90","","1422","0.2","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","N-Adamantan-1-yl-benzenesulfonamide","","- C16 H21 N O2 S -","- C16 H21 N O2 S -","- C64 H84 N4 O8 S4 -","4","1","","Perlovich, German L.; Ryzhakov, Alex M.; Tkachev, Valery V.; Proshin, Alexey N.","Adamantane derivatives of sulfonamide molecular crystals: structure, sublimation thermodynamic characteristics, molecular packing, and hydrogen bond networks","CrystEngComm","2015","17","4","753","","10.1039/C4CE02076F","","","0.71073","MoKα","","0.0328","0.0298","","","0.0721","0.0734","","","","","","1.068","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218812","11.051","0.0004","6.4458","0.0003","21.466","0.0008","90","","102.427","0.003","90","","1493.25","0.11","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N-Adamantan-1-yl-4-chloro-benzenesulfonamide","","- C16 H20 Cl N O2 S -","- C16 H20 Cl N O2 S -","- C64 H80 Cl4 N4 O8 S4 -","4","1","","Perlovich, German L.; Ryzhakov, Alex M.; Tkachev, Valery V.; Proshin, Alexey N.","Adamantane derivatives of sulfonamide molecular crystals: structure, sublimation thermodynamic characteristics, molecular packing, and hydrogen bond networks","CrystEngComm","2015","17","4","753","","10.1039/C4CE02076F","","","0.71073","MoKα","","0.0439","0.0361","","","0.0874","0.0924","","","","","","1.067","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218813","10.8028","0.0003","11.6083","0.0003","14.0725","0.0004","90","","95.824","0.003","90","","1755.61","0.08","100.01","0.18","100.01","0.18","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-(3,5-Dimethyl-adamantan-1-yl)-4-methyl-benzenesulfonamide","","- C19 H27 N O2 S -","- C19 H27 N O2 S -","- C76 H108 N4 O8 S4 -","4","1","","Perlovich, German L.; Ryzhakov, Alex M.; Tkachev, Valery V.; Proshin, Alexey N.","Adamantane derivatives of sulfonamide molecular crystals: structure, sublimation thermodynamic characteristics, molecular packing, and hydrogen bond networks","CrystEngComm","2015","17","4","753","","10.1039/C4CE02076F","","","0.71073","MoKα","","0.0424","0.0355","","","0.094","0.0989","","","","","","1.021","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218814","10.5261","0.0003","11.5499","0.0003","14.1017","0.0004","90","","97.386","0.002","90","","1700.19","0.08","150.01","0.1","150.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","N-(3,5-Dimethyl-adamantan-1-yl)-4-fluoro-benzenesulfonamide","","- C18 H24 F N O2 S -","- C18 H24 F N O2 S -","- C72 H96 F4 N4 O8 S4 -","4","1","","Perlovich, German L.; Ryzhakov, Alex M.; Tkachev, Valery V.; Proshin, Alexey N.","Adamantane derivatives of sulfonamide molecular crystals: structure, sublimation thermodynamic characteristics, molecular packing, and hydrogen bond networks","CrystEngComm","2015","17","4","753","","10.1039/C4CE02076F","","","0.71073","MoKα","","0.0445","0.0356","","","0.0872","0.0925","","","","","","1.045","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218815","9.33501","0.00018","11.577","0.0002","15.7703","0.0003","90","","100.587","0.0018","90","","1675.31","0.05","150.01","0.1","150.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-(3,5-Dimethyl-adamantan-1-yl)-benzenesulfonamide","","- C18 H25 N O2 S -","- C18 H25 N O2 S -","- C72 H100 N4 O8 S4 -","4","1","","Perlovich, German L.; Ryzhakov, Alex M.; Tkachev, Valery V.; Proshin, Alexey N.","Adamantane derivatives of sulfonamide molecular crystals: structure, sublimation thermodynamic characteristics, molecular packing, and hydrogen bond networks","CrystEngComm","2015","17","4","753","","10.1039/C4CE02076F","","","0.71073","MoKα","","0.0481","0.0381","","","0.097","0.1038","","","","","","1.046","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218816","14.2744","0.0015","7.8786","0.0009","12.4054","0.0013","90","","90","","90","","1395.1","0.3","296","2","296","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C4 H16 Ge Mn2 N4 S4 -","- C4 H16 Ge Mn2 N4 S4 -","- C16 H64 Ge4 Mn8 N16 S16 -","4","0.5","","Yue, Cheng-Yang; Lei, Xiao-Wu; Yin, Ling; Zhai, Xiu-Rong; Ba, Zhong-Ren; Niu, Yan-Qiang; Li, Yue-Peng","[Mn(dien)2]MnSnS4, [Mn(1,2-dap)]2Sn2S6and [Mn(en)2]MnGeS4: from 1D anionic and neutral chains to 3D neutral frameworks","CrystEngComm","2015","17","4","814","","10.1039/C4CE02063D","","","0.71073","MoKα","","0.0382","0.0246","","","0.0598","0.0663","","","","","","1.037","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218817","8.971","0.005","16.81","0.009","10.435","0.006","90","","108.218","0.005","90","","1494.7","1.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H20 Mn N4 S3 Sn -","- C6 H20 Mn N4 S3 Sn -","- C24 H80 Mn4 N16 S12 Sn4 -","4","1","","Yue, Cheng-Yang; Lei, Xiao-Wu; Yin, Ling; Zhai, Xiu-Rong; Ba, Zhong-Ren; Niu, Yan-Qiang; Li, Yue-Peng","[Mn(dien)2]MnSnS4, [Mn(1,2-dap)]2Sn2S6and [Mn(en)2]MnGeS4: from 1D anionic and neutral chains to 3D neutral frameworks","CrystEngComm","2015","17","4","814","","10.1039/C4CE02063D","","","0.71073","MoKα","","0.0333","0.0295","","","0.0642","0.0659","","","","","","1.059","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218818","9.3435","0.0011","17.014","0.002","12.8984","0.0015","90","","102.12","0.001","90","","2004.8","0.4","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C8 H26 Mn2 N6 S4 Sn -","- C8 H26 Mn2 N6 S4 Sn -","- C32 H104 Mn8 N24 S16 Sn4 -","4","1","","Yue, Cheng-Yang; Lei, Xiao-Wu; Yin, Ling; Zhai, Xiu-Rong; Ba, Zhong-Ren; Niu, Yan-Qiang; Li, Yue-Peng","[Mn(dien)2]MnSnS4, [Mn(1,2-dap)]2Sn2S6and [Mn(en)2]MnGeS4: from 1D anionic and neutral chains to 3D neutral frameworks","CrystEngComm","2015","17","4","814","","10.1039/C4CE02063D","","","0.71073","MoKα","","0.0398","0.0367","","","0.0989","0.1017","","","","","","1.024","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218854","9.496","0.0011","11.5347","0.0013","11.8048","0.0013","67.494","0.002","81.395","0.002","69.474","0.002","1118.5","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C18.62 H18.47 N2 O6.62 S2 Zn -","- C18.616 H18.464 N2 O6.616 S2 Zn -","- C37.232 H36.928 N4 O13.232 S4 Zn2 -","2","1","","Wang, Chih-Chieh; Sheu, Gia-Bin; Ke, Szu-Yu; Shin, Chi-Yang; Cheng, Yu-Jen; Chen, Yi-Ting; Cho, Chia-Hsing; Ho, Mei-Lin; Chen, Wen-Tin; Liao, Ru-Hsio; Lee, Gene-Hsiang; Sheu, Hwo-Shuenn","A 3D porous supramolecular architecture via π‒π assembly of 2D metal‒organic frameworks (MOFs): structure-versus-luminescence reversibility and gas adsorption properties","CrystEngComm","2015","17","6","1264","","10.1039/C4CE01849D","","","0.71073","MoKα","","0.0873","0.0713","","","0.1923","0.2036","","","","","","1.038","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218855","9.6705","0.0005","11.6246","0.0006","11.7082","0.0006","66.363","0.001","82.283","0.001","68.217","0.001","1119.5","0.1","393","2","393","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H12 N2 O4 S2 Zn -","- C18 H12 N2 O4 S2 Zn -","- C36 H24 N4 O8 S4 Zn2 -","2","1","","Wang, Chih-Chieh; Sheu, Gia-Bin; Ke, Szu-Yu; Shin, Chi-Yang; Cheng, Yu-Jen; Chen, Yi-Ting; Cho, Chia-Hsing; Ho, Mei-Lin; Chen, Wen-Tin; Liao, Ru-Hsio; Lee, Gene-Hsiang; Sheu, Hwo-Shuenn","A 3D porous supramolecular architecture via π‒π assembly of 2D metal‒organic frameworks (MOFs): structure-versus-luminescence reversibility and gas adsorption properties","CrystEngComm","2015","17","6","1264","","10.1039/C4CE01849D","","","0.71073","MoKα","","0.0444","0.0383","","","0.107","0.1135","","","","","","1.083","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218856","9.5666","0.0004","11.54","0.0005","11.8627","0.0005","67.61","0.001","80.961","0.001","68.932","0.001","1129.64","0.08","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14.2 N2 O5.1 S2 Zn -","- C18 H14.2 N2 O5.1 S2 Zn -","- C36 H28.4 N4 O10.2 S4 Zn2 -","2","1","","Wang, Chih-Chieh; Sheu, Gia-Bin; Ke, Szu-Yu; Shin, Chi-Yang; Cheng, Yu-Jen; Chen, Yi-Ting; Cho, Chia-Hsing; Ho, Mei-Lin; Chen, Wen-Tin; Liao, Ru-Hsio; Lee, Gene-Hsiang; Sheu, Hwo-Shuenn","A 3D porous supramolecular architecture via π‒π assembly of 2D metal‒organic frameworks (MOFs): structure-versus-luminescence reversibility and gas adsorption properties","CrystEngComm","2015","17","6","1264","","10.1039/C4CE01849D","","","0.71073","MoKα","","0.0491","0.0463","","","0.1579","0.1604","","","","","","1.088","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218862","8.5178","0.0003","14.4262","0.0006","14.9256","0.0005","90","","100.234","0.003","90","","1804.87","0.12","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H11 Cd N7 O3 -","- C17 H11 Cd N7 O3 -","- C68 H44 Cd4 N28 O12 -","4","1","","Nawrot, Iwona; Machura, Barbara; Kruszynski, Rafał","Coordination assemblies of CdIIwith 2,2′:6′,2′′-terpyridine (terpy), 2,3,5,6-tetra-(2-pyridyl)pyrazine (tppz) and pseudohalide ions ‒ structural diversification and luminescence properties","CrystEngComm","2015","17","4","830","","10.1039/C4CE02140A","","","0.71073","MoKα","","0.0504","0.034","","","0.0716","0.0759","","","","","","1.029","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218863","7.6683","0.0015","8.8264","0.0018","14.996","0.003","78.42","0.03","79.89","0.03","81.62","0.03","972.4","0.4","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H13 Cd N9 O -","- C19 H13 Cd N9 O -","- C38 H26 Cd2 N18 O2 -","2","1","","Nawrot, Iwona; Machura, Barbara; Kruszynski, Rafał","Coordination assemblies of CdIIwith 2,2′:6′,2′′-terpyridine (terpy), 2,3,5,6-tetra-(2-pyridyl)pyrazine (tppz) and pseudohalide ions ‒ structural diversification and luminescence properties","CrystEngComm","2015","17","4","830","","10.1039/C4CE02140A","","","0.71073","MoKα","","0.0338","0.0278","","","0.0651","0.0683","","","","","","0.883","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218864","8.15961","0","11.21043","0","17.04066","0.00001","90","","94.4222","0.0003","90","","1554.12","0.0011","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H11 Cd N7 O3 -","- C15 H11 Cd N7 O3 -","- C60 H44 Cd4 N28 O12 -","4","1","","Nawrot, Iwona; Machura, Barbara; Kruszynski, Rafał","Coordination assemblies of CdIIwith 2,2′:6′,2′′-terpyridine (terpy), 2,3,5,6-tetra-(2-pyridyl)pyrazine (tppz) and pseudohalide ions ‒ structural diversification and luminescence properties","CrystEngComm","2015","17","4","830","","10.1039/C4CE02140A","","","0.71073","MoKα","","0.033","0.0262","","","0.0547","0.0568","","","","","","1.043","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218865","9.328","0.0005","13.9183","0.0005","13.8508","0.0006","90","","109.222","0.005","90","","1698","0.14","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H13 Cd N7 O4 -","- C15 H13 Cd N7 O4 -","- C60 H52 Cd4 N28 O16 -","4","1","","Nawrot, Iwona; Machura, Barbara; Kruszynski, Rafał","Coordination assemblies of CdIIwith 2,2′:6′,2′′-terpyridine (terpy), 2,3,5,6-tetra-(2-pyridyl)pyrazine (tppz) and pseudohalide ions ‒ structural diversification and luminescence properties","CrystEngComm","2015","17","4","830","","10.1039/C4CE02140A","","","0.71073","MoKα","","0.0339","0.0247","","","0.0592","0.0619","","","","","","1.053","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218866","7.7803","0.0004","10.2661","0.0004","10.722","0.0005","81.92","0.004","79.82","0.004","75.63","0.004","812.34","0.07","295","","295","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H22 Cd2 N18 -","- C30 H22 Cd2 N18 -","- C30 H22 Cd2 N18 -","1","0.5","","Nawrot, Iwona; Machura, Barbara; Kruszynski, Rafał","Coordination assemblies of CdIIwith 2,2′:6′,2′′-terpyridine (terpy), 2,3,5,6-tetra-(2-pyridyl)pyrazine (tppz) and pseudohalide ions ‒ structural diversification and luminescence properties","CrystEngComm","2015","17","4","830","","10.1039/C4CE02140A","","","0.71073","MoKα","","0.0384","0.0318","","","0.0632","0.0663","","","","","","1.017","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218867","9.2897","0.0004","8.9304","0.0003","31.2856","0.0011","90","","97.826","0.003","90","","2571.3","0.17","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H16 Cd N10 O3 -","- C26 H16 Cd N10 O3 -","- C104 H64 Cd4 N40 O12 -","4","1","","Nawrot, Iwona; Machura, Barbara; Kruszynski, Rafał","Coordination assemblies of CdIIwith 2,2′:6′,2′′-terpyridine (terpy), 2,3,5,6-tetra-(2-pyridyl)pyrazine (tppz) and pseudohalide ions ‒ structural diversification and luminescence properties","CrystEngComm","2015","17","4","830","","10.1039/C4CE02140A","","","0.71073","MoKα","","0.0746","0.0468","","","0.0948","0.098","","","","","","1.211","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218868","14.204","0.005","9.8521","0.0004","18.7354","0.0006","90","","94.64","0.03","90","","2613.2","0.9","293.5","","293.5","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 Cd N10 O4 -","- C26 H18 Cd N10 O4 -","- C104 H72 Cd4 N40 O16 -","4","1","","Nawrot, Iwona; Machura, Barbara; Kruszynski, Rafał","Coordination assemblies of CdIIwith 2,2′:6′,2′′-terpyridine (terpy), 2,3,5,6-tetra-(2-pyridyl)pyrazine (tppz) and pseudohalide ions ‒ structural diversification and luminescence properties","CrystEngComm","2015","17","4","830","","10.1039/C4CE02140A","","","0.71073","MoKα","","0.0489","0.0334","","","0.0784","0.084","","","","","","1.021","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218869","9.4767","0.0003","12.5129","0.0004","14.3126","0.0005","90","","106.191","0.004","90","","1629.89","0.1","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 Cd N7 O4 -","- C13 H12 Cd N7 O4 -","- C52 H48 Cd4 N28 O16 -","4","1","","Nawrot, Iwona; Machura, Barbara; Kruszynski, Rafał","Coordination assemblies of CdIIwith 2,2′:6′,2′′-terpyridine (terpy), 2,3,5,6-tetra-(2-pyridyl)pyrazine (tppz) and pseudohalide ions ‒ structural diversification and luminescence properties","CrystEngComm","2015","17","4","830","","10.1039/C4CE02140A","","","0.71073","MoKα","","0.0341","0.028","","","0.0681","0.0707","","","","","","1.057","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218870","7.9227","0.0007","8.9657","0.0009","10.146","0.001","74.85","0.008","74.24","0.008","83.61","0.03","668.87","0.12","295","","295","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H8 Cd N9 -","- C12 H8 Cd N9 -","- C24 H16 Cd2 N18 -","2","1","","Nawrot, Iwona; Machura, Barbara; Kruszynski, Rafał","Coordination assemblies of CdIIwith 2,2′:6′,2′′-terpyridine (terpy), 2,3,5,6-tetra-(2-pyridyl)pyrazine (tppz) and pseudohalide ions ‒ structural diversification and luminescence properties","CrystEngComm","2015","17","4","830","","10.1039/C4CE02140A","","","0.71073","MoKα","","0.0304","0.0282","","","0.064","0.0652","","","","","","1.078","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218883","11.51","0.009","12.16","0.01","13.074","0.01","109.155","0.013","111.714","0.012","96.969","0.014","1543","2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H40 Cu2 Mo12 N8 O48 P -","- C32 H32 Cu2 Mo12 N8 O48 P -","- C32 H32 Cu2 Mo12 N8 O48 P -","1","0.5","","Wang, Xiuli; Chang, Zhihan; Lin, Hongyan; Tian, Aixiang; Liu, Guocheng; Zhang, Juwen; Liu, Danna","Effect of polyoxoanions and amide group coordination modes on the assembly of polyoxometalate-based metal‒organic complexes constructed from a semi-rigid bis-pyridyl-bis-amide ligand","CrystEngComm","2015","17","4","895","","10.1039/C4CE01933D","","","0.71069","MoKα","","0.125","0.066","","","0.157","0.1943","","","","","","0.966","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218884","12.328","0.0008","12.696","0.0008","13.859","0.0009","106.698","0.001","108.07","0.001","108.991","0.001","1758.7","0.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H46 Cu2 N8 O51 P W12 -","- C32 H32 Cu2 N8 O51 P W12 -","- C32 H32 Cu2 N8 O51 P W12 -","1","0.5","","Wang, Xiuli; Chang, Zhihan; Lin, Hongyan; Tian, Aixiang; Liu, Guocheng; Zhang, Juwen; Liu, Danna","Effect of polyoxoanions and amide group coordination modes on the assembly of polyoxometalate-based metal‒organic complexes constructed from a semi-rigid bis-pyridyl-bis-amide ligand","CrystEngComm","2015","17","4","895","","10.1039/C4CE01933D","","","0.71069","MoKα","","0.0612","0.0481","","","0.1242","0.1305","","","","","","1.049","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218885","12.31","0.0018","12.668","0.0018","13.816","0.002","106.758","0.002","108.015","0.002","108.944","0.002","1747.6","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H46 Cu2 N8 O51 Si W12 -","- C32 H32 Cu2 N8 O51 Si W12 -","- C32 H32 Cu2 N8 O51 Si W12 -","1","0.5","","Wang, Xiuli; Chang, Zhihan; Lin, Hongyan; Tian, Aixiang; Liu, Guocheng; Zhang, Juwen; Liu, Danna","Effect of polyoxoanions and amide group coordination modes on the assembly of polyoxometalate-based metal‒organic complexes constructed from a semi-rigid bis-pyridyl-bis-amide ligand","CrystEngComm","2015","17","4","895","","10.1039/C4CE01933D","","","0.71069","MoKα","","0.081","0.0648","","","0.1688","0.1778","","","","","","1.05","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218886","10.364","0.0005","19.986","0.001","12.851","0.0007","90","","100.055","0.001","90","","2621","0.2","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 Cu K Mo4 N4 O17 -","- C16 H17 Cu K Mo4 N4 O17 -","- C64 H68 Cu4 K4 Mo16 N16 O68 -","4","1","","Wang, Xiuli; Chang, Zhihan; Lin, Hongyan; Tian, Aixiang; Liu, Guocheng; Zhang, Juwen; Liu, Danna","Effect of polyoxoanions and amide group coordination modes on the assembly of polyoxometalate-based metal‒organic complexes constructed from a semi-rigid bis-pyridyl-bis-amide ligand","CrystEngComm","2015","17","4","895","","10.1039/C4CE01933D","","","0.71069","MoKα","","0.0852","0.0677","","","0.2045","0.2146","","","","","","1.035","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218887","11.416","0.002","10.013","0.002","14.914","0.003","90","","91.44","0.03","90","","1704.3","0.6","250","2","250","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","alfa-Magnesium formate","","- C10 H13 Mg3 O13 -","- C10 H13 Mg3 O13 -","- C40 H52 Mg12 O52 -","4","1","","Spanopoulos, I.; Bratsos, I.; Tampaxis, Ch.; Kourtellaris, A.; Tasiopoulos, A.; Charalambopoulou, G.; Steriotis, T. A.; Trikalitis, P. N.","Enhanced gas-sorption properties of a high surface area, ultramicroporous magnesium formate","CrystEngComm","2015","17","3","532","","10.1039/C4CE01667J","","","0.71073","MoKα","","0.1671","0.0952","","","0.1949","0.2249","","","","","","1.134","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218888","11.363","0.0005","9.895","0.0005","14.6054","0.0008","90","","91.441","0.004","90","","1641.67","0.14","250","2","250","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H6 Mg3 O12 -","- C6 H6 Mg3 O12 -","- C24 H24 Mg12 O48 -","4","1","","Spanopoulos, I.; Bratsos, I.; Tampaxis, Ch.; Kourtellaris, A.; Tasiopoulos, A.; Charalambopoulou, G.; Steriotis, T. A.; Trikalitis, P. N.","Enhanced gas-sorption properties of a high surface area, ultramicroporous magnesium formate","CrystEngComm","2015","17","3","532","","10.1039/C4CE01667J","","","1.54184","CuKα","","0.0553","0.0443","","","0.0993","0.1043","","","","","","1.002","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218889","13.066","0.003","20.404","0.004","9.5822","0.0019","90","","94.37","0.03","90","","2547.2","0.9","223","2","223","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C28 H22 N4 O4 Zn -","- C28 H22 N4 O4 Zn -","- C112 H88 N16 O16 Zn4 -","4","0.5","","Lü, Chun-Ning; Chen, Min-Min; Zhang, Wen-Hua; Li, Duan-Xiu; Dai, Ming; Lang, Jian-Ping","Construction of Zn(ii) and Cd(ii) metal‒organic frameworks of diimidazole and dicarboxylate mixed ligands for the catalytic photodegradation of rhodamine B in water","CrystEngComm","2015","17","9","1935","","10.1039/C4CE02074J","","","0.71073","MoKα","","0.0785","0.0704","","","0.2203","0.235","","","","","","1.1","","","","has coordinates,has disorder","180519","2020-10-21","18:00:00",""
"7218890","12.996","0.003","16.994","0.003","10.668","0.002","90","","90","","90","","2356.1","0.8","223","2","223","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C28 H22 N4 O4 Zn -","- C28 H22 N4 O4 Zn -","- C112 H88 N16 O16 Zn4 -","4","0.5","","Lü, Chun-Ning; Chen, Min-Min; Zhang, Wen-Hua; Li, Duan-Xiu; Dai, Ming; Lang, Jian-Ping","Construction of Zn(ii) and Cd(ii) metal‒organic frameworks of diimidazole and dicarboxylate mixed ligands for the catalytic photodegradation of rhodamine B in water","CrystEngComm","2015","17","9","1935","","10.1039/C4CE02074J","","","0.71073","MoKα","","0.0862","0.0804","","","0.1454","0.149","","","","","","1.028","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218891","10.362","0.002","10.649","0.002","11.096","0.002","92.16","0.03","100.28","0.03","92.65","0.03","1202.1","0.4","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H22 Cd N4 O4 -","- C28 H22 Cd N4 O4 -","- C56 H44 Cd2 N8 O8 -","2","1","","Lü, Chun-Ning; Chen, Min-Min; Zhang, Wen-Hua; Li, Duan-Xiu; Dai, Ming; Lang, Jian-Ping","Construction of Zn(ii) and Cd(ii) metal‒organic frameworks of diimidazole and dicarboxylate mixed ligands for the catalytic photodegradation of rhodamine B in water","CrystEngComm","2015","17","9","1935","","10.1039/C4CE02074J","","","0.71073","MoKα","","0.0552","0.0473","","","0.1947","0.2257","","","","","","1.139","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218892","13.2835","0.0004","17.3692","0.0006","10.6116","0.0003","90","","90","","90","","2448.35","0.13","296","2","296","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C28 H22 Cd N4 O4 -","- C28 H22 Cd N4 O4 -","- C112 H88 Cd4 N16 O16 -","4","0.5","","Lü, Chun-Ning; Chen, Min-Min; Zhang, Wen-Hua; Li, Duan-Xiu; Dai, Ming; Lang, Jian-Ping","Construction of Zn(ii) and Cd(ii) metal‒organic frameworks of diimidazole and dicarboxylate mixed ligands for the catalytic photodegradation of rhodamine B in water","CrystEngComm","2015","17","9","1935","","10.1039/C4CE02074J","","","0.71073","MoKα","","0.0472","0.0284","","","0.0618","0.0707","","","","","","1.034","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218893","14.06551","0.00016","29.396","0.0003","18.4286","0.0003","90","","107.058","0.0014","90","","7284.46","0.17","291","2","291.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C78 H71 Dy2 N3 O25 -","- C78 H69 Dy2 N3 O25 -","- C312 H276 Dy8 N12 O100 -","4","1","","Zhang, Lina; Lu, Shuting; Zhang, Chao; Du, Chenxia; Hou, Hongwei","Highly pH-dependent synthesis of two novel three-dimensional dysprosium complexes with interesting magnetic and luminescence properties","CrystEngComm","2015","17","4","846","","10.1039/C4CE02023E","","","0.7107","MoKα","","0.0497","0.0383","","","0.0881","0.0931","","","","","","1.09","","","","has coordinates,has disorder","180519","2020-10-21","18:00:00",""
"7218894","19.1237","0.0003","14.4603","0.0002","30.6247","0.0004","90","","90","","90","","8468.8","0.2","291","2","291.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C84 H83 Dy2 N5 O26 -","- C84 H81 Dy2 N5 O26 -","- C336 H324 Dy8 N20 O104 -","4","1","","Zhang, Lina; Lu, Shuting; Zhang, Chao; Du, Chenxia; Hou, Hongwei","Highly pH-dependent synthesis of two novel three-dimensional dysprosium complexes with interesting magnetic and luminescence properties","CrystEngComm","2015","17","4","846","","10.1039/C4CE02023E","","","0.7107","MoKα","","0.0449","0.0388","","","0.0935","0.0974","","","","","","1.053","","","","has coordinates,has disorder","180519","2020-10-21","18:00:00",""
"7218903","7.3765","0.0002","7.5213","0.0003","12.1712","0.0003","97.744","0.002","92.657","0.002","110.303","0.001","624.38","0.03","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H10 Cl2 N6 O -","- C10 H10 Cl2 N6 O -","- C20 H20 Cl4 N12 O2 -","2","1","","Seth, Saikat Kumar; Lee, Vannajan Sanghiran; Yana, Janchai; Zain, Sharifuddin M.; Cunha, Anna C.; Ferreira, Vitor F.; Jordão, Alessandro K.; de Souza, Maria C. B. V.; Wardell, Solange M. S. V.; Wardell, James L.; Tiekink, Edward R. T.","Crystallographic and computational study of 1-(arylamino)-1,2,3-triazole-4-carbohydrazides","CrystEngComm","2015","17","11","2255","","10.1039/C4CE02175D","","","0.71073","MoKα","","0.048","0.0364","","","0.0885","0.0958","","","","","","1.072","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218904","7.4637","0.0014","11.481","0.002","13.395","0.003","95.849","0.003","98.205","0.004","93.393","0.005","1127","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H12 N6 O -","- C10 H12 N6 O -","- C40 H48 N24 O4 -","4","2","","Seth, Saikat Kumar; Lee, Vannajan Sanghiran; Yana, Janchai; Zain, Sharifuddin M.; Cunha, Anna C.; Ferreira, Vitor F.; Jordão, Alessandro K.; de Souza, Maria C. B. V.; Wardell, Solange M. S. V.; Wardell, James L.; Tiekink, Edward R. T.","Crystallographic and computational study of 1-(arylamino)-1,2,3-triazole-4-carbohydrazides","CrystEngComm","2015","17","11","2255","","10.1039/C4CE02175D","","","0.71069","MoKα","","0.0496","0.0477","","","0.1253","0.1272","","","","","","1.12","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218905","11.4176","0.0004","7.2174","0.0002","29.6018","0.001","90","","90","","90","","2439.35","0.14","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H11 Cl N6 O -","- C10 H11 Cl N6 O -","- C80 H88 Cl8 N48 O8 -","8","1","","Seth, Saikat Kumar; Lee, Vannajan Sanghiran; Yana, Janchai; Zain, Sharifuddin M.; Cunha, Anna C.; Ferreira, Vitor F.; Jordão, Alessandro K.; de Souza, Maria C. B. V.; Wardell, Solange M. S. V.; Wardell, James L.; Tiekink, Edward R. T.","Crystallographic and computational study of 1-(arylamino)-1,2,3-triazole-4-carbohydrazides","CrystEngComm","2015","17","11","2255","","10.1039/C4CE02175D","","","0.71073","MoKα","","0.0697","0.0416","","","0.0951","0.1067","","","","","","1.048","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218906","11.3672","0.0004","7.2817","0.0002","30.1714","0.0011","90","","90","","90","","2497.36","0.14","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H11 Br N6 O -","- C10 H11 Br N6 O -","- C80 H88 Br8 N48 O8 -","8","1","","Seth, Saikat Kumar; Lee, Vannajan Sanghiran; Yana, Janchai; Zain, Sharifuddin M.; Cunha, Anna C.; Ferreira, Vitor F.; Jordão, Alessandro K.; de Souza, Maria C. B. V.; Wardell, Solange M. S. V.; Wardell, James L.; Tiekink, Edward R. T.","Crystallographic and computational study of 1-(arylamino)-1,2,3-triazole-4-carbohydrazides","CrystEngComm","2015","17","11","2255","","10.1039/C4CE02175D","","","0.71073","MoKα","","0.0562","0.0301","","","0.0639","0.0731","","","","","","1.022","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218907","22.004","0.012","22.004","0.012","20.67","0.02","90","","90","","120","","8667","11","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H17 Cu N3 O5 -","- C18 H17 Cu N3 O5 -","- C324 H306 Cu18 N54 O90 -","18","1","","He, Hongming; Du, Jianshi; Su, Hongmin; Yuan, Yinhong; Song, Yang; Sun, Fuxing","Four new metal‒organic frameworks based on bi-, tetra-, penta-, and hexa-nuclear clusters derived from 5-(phenyldiazenyl)isophthalic acid: syntheses, structures and properties","CrystEngComm","2015","17","5","1201","","10.1039/C4CE01837K","","","0.71073","MoKα","","0.0901","0.058","","","0.127","0.1393","","","","","","1.098","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218908","14.744","0.007","16.525","0.008","19.87","0.009","90","","102.968","0.009","90","","4718","4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C74 H74 Mn4 N14 O23 -","- C74 H74 Mn4 N14 O23 -","- C148 H148 Mn8 N28 O46 -","2","1","","He, Hongming; Du, Jianshi; Su, Hongmin; Yuan, Yinhong; Song, Yang; Sun, Fuxing","Four new metal‒organic frameworks based on bi-, tetra-, penta-, and hexa-nuclear clusters derived from 5-(phenyldiazenyl)isophthalic acid: syntheses, structures and properties","CrystEngComm","2015","17","5","1201","","10.1039/C4CE01837K","","","0.71073","MoKα","","0.1774","0.0983","","","0.262","0.2856","","","","","","1.026","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218909","26.655","0.0004","26.655","0.0004","85.13","0.003","90","","90","","120","","52381","2","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C276 H198 N42 O86 Zn23 -","- C276 H198 N42 O86 Zn23 -","- C1656 H1188 N252 O516 Zn138 -","6","0.166667","","He, Hongming; Du, Jianshi; Su, Hongmin; Yuan, Yinhong; Song, Yang; Sun, Fuxing","Four new metal‒organic frameworks based on bi-, tetra-, penta-, and hexa-nuclear clusters derived from 5-(phenyldiazenyl)isophthalic acid: syntheses, structures and properties","CrystEngComm","2015","17","5","1201","","10.1039/C4CE01837K","","","0.71073","MoKα","","0.103","0.0798","","","0.2348","0.255","","","","","","1.225","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218910","9.862","0.002","13.348","0.003","18.934","0.004","75.217","0.005","81.616","0.005","88.983","0.005","2383.7","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H44 Co3 N7 O15 -","- C41 H44 Co3 N7 O15 -","- C82 H88 Co6 N14 O30 -","2","1","","He, Hongming; Du, Jianshi; Su, Hongmin; Yuan, Yinhong; Song, Yang; Sun, Fuxing","Four new metal‒organic frameworks based on bi-, tetra-, penta-, and hexa-nuclear clusters derived from 5-(phenyldiazenyl)isophthalic acid: syntheses, structures and properties","CrystEngComm","2015","17","5","1201","","10.1039/C4CE01837K","","","0.71073","MoKα","","0.1009","0.0572","","","0.1377","0.1592","","","","","","1.031","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218911","15.281","0.003","15.431","0.003","17.911","0.004","99.573","0.009","113.073","0.009","102.518","0.01","3641.8","1.4","150","2","150","2","","","","","","","","4","P 1","P 1","1","","4-Phenyl-Pyridine-N-oxide b-cyclodextrin hendecahydrate","","- C106 H202 N2 O94 -","- C106 H158 N2 O94.0001 -","- C106 H158 N2 O94.0001 -","1","1","","Fernandes, José A.; Ramos, Ana I.; Ribeiro-Claro, Paulo; Almeida Paz, Filipe A.; Braga, Susana S.","Studies on polymorph conversion in a new cyclodextrin inclusion compound","CrystEngComm","2015","17","4","937","","10.1039/C4CE02041C","","","0.71073","MoKα","","0.1808","0.1384","","","0.3494","0.3831","","","","","","1.405","","","","has coordinates,has disorder","180520","2020-10-21","18:00:00",""
"7218912","18.7766","0.0006","24.6489","0.0008","15.3471","0.0005","90","","109.642","0.002","90","","6689.7","0.4","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","4-Phenylpyridine-N-oxide beta-cyclodextrin nonahydrate","","- C53 H97 N O45 -","- C53 H79 N O45 -","- C212 H316 N4 O180 -","4","1","","Fernandes, José A.; Ramos, Ana I.; Ribeiro-Claro, Paulo; Almeida Paz, Filipe A.; Braga, Susana S.","Studies on polymorph conversion in a new cyclodextrin inclusion compound","CrystEngComm","2015","17","4","937","","10.1039/C4CE02041C","","","0.71073","MoKα","","0.1439","0.0688","","","0.1592","0.197","","","","","","1.013","","","","has coordinates,has disorder","180520","2020-10-21","18:00:00",""
"7218913","21.2603","0.0017","42.109","0.004","5.7891","0.0005","90","","90","","90","","5182.7","0.8","223","2","223","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C35 H24 Cl2 N2 -","- C35 H24 Cl2 N2 -","- C280 H192 Cl16 N16 -","8","0.5","","Alshahateet, Solhe F.; Bhadbhade, Mohan M.; Bishop, Roger; Scudder, Marcia L.","Different solvents yield alternative crystal forms through aromatic, halogen bonding and hydrogen bonding competition","CrystEngComm","2015","17","4","877","","10.1039/C4CE02109F","","","0.71073","MoKα","","0.0746","0.0668","","","0.1405","0.1441","","","","","","1.227","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218914","10.3943","0.0005","17.4818","0.001","15.6814","0.0008","90","","97.686","0.001","90","","2823.9","0.3","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 Cl2 N2 O -","- C36 H28 Cl2 N2 O -","- C144 H112 Cl8 N8 O4 -","4","1","","Alshahateet, Solhe F.; Bhadbhade, Mohan M.; Bishop, Roger; Scudder, Marcia L.","Different solvents yield alternative crystal forms through aromatic, halogen bonding and hydrogen bonding competition","CrystEngComm","2015","17","4","877","","10.1039/C4CE02109F","","","0.71073","MoKα","","0.0756","0.0597","","","0.1314","0.139","","","","","","1.092","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218915","10.4238","0.0006","17.4861","0.001","15.9174","0.0008","90","","98.41","0.002","90","","2870.1","0.3","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H30 Cl2 N2 O -","- C37 H30 Cl2 N2 O -","- C148 H120 Cl8 N8 O4 -","4","1","","Alshahateet, Solhe F.; Bhadbhade, Mohan M.; Bishop, Roger; Scudder, Marcia L.","Different solvents yield alternative crystal forms through aromatic, halogen bonding and hydrogen bonding competition","CrystEngComm","2015","17","4","877","","10.1039/C4CE02109F","","","0.71073","MoKα","","0.1249","0.0926","","","0.1737","0.1856","","","","","","1.223","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218916","10.462","0.0005","17.5011","0.0008","15.8272","0.0008","90","","95.53","0.001","90","","2884.4","0.2","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H28 Cl2 N2 O2 -","- C37 H28 Cl2 N2 O2 -","- C148 H112 Cl8 N8 O8 -","4","1","","Alshahateet, Solhe F.; Bhadbhade, Mohan M.; Bishop, Roger; Scudder, Marcia L.","Different solvents yield alternative crystal forms through aromatic, halogen bonding and hydrogen bonding competition","CrystEngComm","2015","17","4","877","","10.1039/C4CE02109F","","","0.71073","MoKα","","0.0561","0.0483","","","0.1292","0.1352","","","","","","1.05","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218917","13.0951","0.0006","14.1332","0.0008","19.6616","0.0009","90","","100.161","0.003","90","","3581.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H36 Co N4 O8 -","- C33 H36 Co N4 O8 -","- C132 H144 Co4 N16 O32 -","4","1","","Wu, Tsung-Tai; Hsu, Wayne; Yang, Xiang-Kai; He, Hsiu-Yi; Chen, Jhy-Der","Entanglement in Co(ii) coordination networks: polycatenation from single net to 2-fold and 3-fold interpenetrated nets","CrystEngComm","2015","17","4","916","","10.1039/C4CE02101K","","","0.71073","MoKα","","0.1699","0.1019","","","0.2624","0.2956","","","","","","1.131","","","","has coordinates,has disorder","180520","2020-10-21","18:00:00",""
"7218918","12.9014","0.0003","15.0969","0.0004","12.6756","0.0003","90","","102.381","0.002","90","","2411.42","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 Co N2 O6 -","- C25 H25 Co N2 O6 -","- C100 H100 Co4 N8 O24 -","4","1","","Wu, Tsung-Tai; Hsu, Wayne; Yang, Xiang-Kai; He, Hsiu-Yi; Chen, Jhy-Der","Entanglement in Co(ii) coordination networks: polycatenation from single net to 2-fold and 3-fold interpenetrated nets","CrystEngComm","2015","17","4","916","","10.1039/C4CE02101K","","","0.71073","MoKα","","0.0841","0.0483","","","0.1016","0.1128","","","","","","1.013","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218919","21.3167","0.0011","12.3112","0.0007","21.2392","0.001","90","","92.816","0.003","90","","5567.2","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H21 Co N2 O5 -","- C24 H21 Co N2 O5 -","- C192 H168 Co8 N16 O40 -","8","1","","Wu, Tsung-Tai; Hsu, Wayne; Yang, Xiang-Kai; He, Hsiu-Yi; Chen, Jhy-Der","Entanglement in Co(ii) coordination networks: polycatenation from single net to 2-fold and 3-fold interpenetrated nets","CrystEngComm","2015","17","4","916","","10.1039/C4CE02101K","","","0.71073","MoKα","","0.0903","0.0585","","","0.1315","0.1415","","","","","","1.07","","","","has coordinates,has disorder","180520","2020-10-21","18:00:00",""
"7218920","13.6257","0.0007","25.2675","0.0012","16.8185","0.0008","90","","105.815","0.002","90","","5571.2","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53 H66 Co2 N4 O19 -","- C53 H38 Co2 N4 O19 -","- C212 H152 Co8 N16 O76 -","4","1","","Wu, Tsung-Tai; Hsu, Wayne; Yang, Xiang-Kai; He, Hsiu-Yi; Chen, Jhy-Der","Entanglement in Co(ii) coordination networks: polycatenation from single net to 2-fold and 3-fold interpenetrated nets","CrystEngComm","2015","17","4","916","","10.1039/C4CE02101K","","","0.71073","MoKα","","0.0608","0.0472","","","0.1204","0.1289","","","","","","1.022","","","","has coordinates,has disorder","180520","2020-10-21","18:00:00",""
"7218921","30.8856","0.0019","17.8569","0.0011","14.1653","0.0009","90","","114.268","0.003","90","","7122.1","0.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H34 Co F6 N4 O8 -","- C35 H34 Co F6 N4 O8 -","- C280 H272 Co8 F48 N32 O64 -","8","1","","Wu, Tsung-Tai; Hsu, Wayne; Yang, Xiang-Kai; He, Hsiu-Yi; Chen, Jhy-Der","Entanglement in Co(ii) coordination networks: polycatenation from single net to 2-fold and 3-fold interpenetrated nets","CrystEngComm","2015","17","4","916","","10.1039/C4CE02101K","","","0.71073","MoKα","","0.1205","0.078","","","0.2016","0.2233","","","","","","1.069","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218922","10.3211","0.0002","30.3501","0.0006","10.8873","0.0002","90","","103.219","0.001","90","","3320.04","0.11","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H32 Co N4 O9 S -","- C32 H32 Co N4 O9 S -","- C128 H128 Co4 N16 O36 S4 -","4","1","","Wu, Tsung-Tai; Hsu, Wayne; Yang, Xiang-Kai; He, Hsiu-Yi; Chen, Jhy-Der","Entanglement in Co(ii) coordination networks: polycatenation from single net to 2-fold and 3-fold interpenetrated nets","CrystEngComm","2015","17","4","916","","10.1039/C4CE02101K","","","0.71073","MoKα","","0.1305","0.0529","","","0.0801","0.0995","","","","","","1.006","","","","has coordinates,has disorder","180520","2020-10-21","18:00:00",""
"7218923","7.9","0.0002","23.1582","0.0007","8.7135","0.0002","90","","107.904","0.001","90","","1516.93","0.07","296","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(2E)-2-(ethoxycarbonyl)-3-[(2-ethoxyphenyl)amino]acrylic acid","","- C15 H17 N O6 -","- C15 H17 N O6 -","- C60 H68 N4 O24 -","4","1","","Venkatesan, Perumal; Thamotharan, Subbiah; Kumar, Rajendran Ganesh; Ilangovan, Andivelu","Invariant and variable intermolecular interactions in functionalized malonic acid half-esters: X-ray, Hirshfeld surface and PIXEL energy analyses","CrystEngComm","2015","17","4","904","","10.1039/C4CE02125H","","","0.71073","MoKα","","0.0906","0.0527","","","0.1583","0.1918","","","","","","0.922","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218924","7.0418","0.0013","7.5275","0.0014","11.444","0.002","84.212","0.009","75.935","0.009","82.835","0.009","582.26","0.19","296","2","296","","","","","","","","","4","P -1","-P 1","2","","(2E)-2-(ethoxycarbonyl)-3-(phenylamino)prop-2-enoic acid","","- C12 H13 N O4 -","- C12 H13 N O4 -","- C24 H26 N2 O8 -","2","1","","Venkatesan, Perumal; Thamotharan, Subbiah; Kumar, Rajendran Ganesh; Ilangovan, Andivelu","Invariant and variable intermolecular interactions in functionalized malonic acid half-esters: X-ray, Hirshfeld surface and PIXEL energy analyses","CrystEngComm","2015","17","4","904","","10.1039/C4CE02125H","","","0.71073","MoKα","","0.0692","0.0473","","","0.1314","0.1492","","","","","","1.035","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218925","6.8768","0.0002","7.5092","0.0003","12.8653","0.0004","93.415","0.002","104.473","0.002","95.382","0.002","638.06","0.04","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","(2E)-2-(ethoxycarbonyl)-3-[(4-methylphenyl)amino]prop-2-enoic acid","","- C13 H15 N O4 -","- C13 H15 N O4 -","- C26 H30 N2 O8 -","2","1","","Venkatesan, Perumal; Thamotharan, Subbiah; Kumar, Rajendran Ganesh; Ilangovan, Andivelu","Invariant and variable intermolecular interactions in functionalized malonic acid half-esters: X-ray, Hirshfeld surface and PIXEL energy analyses","CrystEngComm","2015","17","4","904","","10.1039/C4CE02125H","","","0.71073","MoKα","","0.0618","0.0393","","","0.0961","0.1081","","","","","","1.022","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218926","7.0837","0.0002","7.4404","0.0002","12.4791","0.0004","92.127","0.002","105.123","0.002","97.607","0.002","627.59","0.03","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","2E)-3-[(4-chlorophenyl)amino]-2-(ethoxycarbonyl)prop-2-enoic acid","","- C12 H12 Cl N O4 -","- C12 H12 Cl N O4 -","- C24 H24 Cl2 N2 O8 -","2","1","","Venkatesan, Perumal; Thamotharan, Subbiah; Kumar, Rajendran Ganesh; Ilangovan, Andivelu","Invariant and variable intermolecular interactions in functionalized malonic acid half-esters: X-ray, Hirshfeld surface and PIXEL energy analyses","CrystEngComm","2015","17","4","904","","10.1039/C4CE02125H","","","0.71073","MoKα","","0.0722","0.0493","","","0.1426","0.1639","","","","","","1.051","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218927","11.423","0.0007","8.6148","0.0005","13.9893","0.0009","90","","112.165","0.004","90","","1274.91","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2E)-2-(ethoxycarbonyl)-3-[(3-nitrophenyl)amino]prop-2-enoic acid","","- C12 H12 N2 O6 -","- C12 H12 N2 O6 -","- C48 H48 N8 O24 -","4","1","","Venkatesan, Perumal; Thamotharan, Subbiah; Kumar, Rajendran Ganesh; Ilangovan, Andivelu","Invariant and variable intermolecular interactions in functionalized malonic acid half-esters: X-ray, Hirshfeld surface and PIXEL energy analyses","CrystEngComm","2015","17","4","904","","10.1039/C4CE02125H","","","0.71073","MoKα","","0.0538","0.0391","","","0.0937","0.102","","","","","","1.033","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218928","10.77","0.0011","14.5781","0.0014","15.7165","0.0018","66.116","0.001","71.702","0.002","68.82","0.001","2062.8","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H16 N12 O Pb -","- C20 H16 N12 O Pb -","- C80 H64 N48 O4 Pb4 -","4","2","","Gong, Yun; Zhang, Pan; Jiang, Penggang; Lin, Jianhua","Metal(ii) complex based on 5-[4-(1H-imidazol-1-yl)phenyl]-2H-tetrazole: the effect of the ligand on the electrodes in a lead-acid battery","CrystEngComm","2015","17","5","1056","","10.1039/C4CE01963F","","","0.71073","MoKα","","0.0775","0.0591","","","0.1444","0.1565","","","","","","0.988","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218929","19.2296","0.0018","13.2582","0.0012","13.4958","0.0013","90","","129.226","0.002","90","","2665.4","0.4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H26 N12 Ni O6 -","- C20 H26 N12 Ni O6 -","- C80 H104 N48 Ni4 O24 -","4","0.5","","Gong, Yun; Zhang, Pan; Jiang, Penggang; Lin, Jianhua","Metal(ii) complex based on 5-[4-(1H-imidazol-1-yl)phenyl]-2H-tetrazole: the effect of the ligand on the electrodes in a lead-acid battery","CrystEngComm","2015","17","5","1056","","10.1039/C4CE01963F","","","0.71073","MoKα","","0.1135","0.0615","","","0.1254","0.1459","","","","","","0.898","","","","has coordinates,has disorder","180520","2020-10-21","18:00:00",""
"7218930","18.96","0.04","12.97","0.04","13.27","0.04","90","","129.51","0.05","90","","2518","12","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H26 Co N12 O6 -","- C20 H26 Co N12 O6 -","- C80 H104 Co4 N48 O24 -","4","0.5","","Gong, Yun; Zhang, Pan; Jiang, Penggang; Lin, Jianhua","Metal(ii) complex based on 5-[4-(1H-imidazol-1-yl)phenyl]-2H-tetrazole: the effect of the ligand on the electrodes in a lead-acid battery","CrystEngComm","2015","17","5","1056","","10.1039/C4CE01963F","","","0.71073","MoKα","","0.154","0.0888","","","0.2251","0.297","","","","","","0.991","","","","has coordinates,has disorder","180520","2020-10-21","18:00:00",""
"7218931","8.896","0.003","8.896","0.003","12.637","0.004","90","","90","","90","","1000.1","0.6","293","2","293","2","","","","","","","","5","I 4 c m","I 4 -2c","108","","","","- C H6 I3 N Pb -","- C I3 N Pb -","- C4 I12 N4 Pb4 -","4","0.25","","Dang, Yangyang; Liu, Yang; Sun, Youxuan; Yuan, Dongsheng; Liu, Xiaolong; Lu, Weiqun; Liu, Guangfeng; Xia, Haibing; Tao, Xutang","Bulk crystal growth of hybrid perovskite material CH3NH3PbI3","CrystEngComm","2015","17","3","665","","10.1039/C4CE02106A","","","0.71073","MoKα","","0.071","0.0644","","","0.1468","0.1494","","","","","","1.223","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218932","10.4466","0.0013","10.4466","0.0013","8.3093","0.0017","90","","90","","120","","785.3","0.2","93","2","93","2","","","","","","","","6","R 3 m :H","R 3 -2""","160","NSBBF","","","- B3 Be3 F4 Na O9 Sr3 -","- B3 Be3 F4 Na O9 Sr3 -","- B9 Be9 F12 Na3 O27 Sr9 -","3","0.166667","","Wang, Xiaoshan; Liu, Lijuan; Wang, Xiaoyang; Bai, Lei; Chen, Chuangtian","Growth and optical properties of the novel nonlinear optical crystal NaSr3Be3B3O9F4","CrystEngComm","2015","17","4","925","","10.1039/C4CE02096K","","","0.71073","MoKα","","0.0305","0.0271","","","0.0632","0.0641","","","","","","0.64","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218966","4.822","0.002","22.257","0.01","11.408","0.005","90","","93.364","0.004","90","","1222.2","0.9","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C56 H48 N8 O12 -","4","1","","Saha, Subhankar; Rajput, Lalit; Joseph, Sumy; Mishra, Manish Kumar; Ganguly, Somnath; Desiraju, Gautam R.","IR spectroscopy as a probe for C‒H⋯X hydrogen bonded supramolecular synthons","CrystEngComm","2015","17","6","1273","","10.1039/C4CE02034K","","","0.71073","MoKα","","0.0614","0.0527","","","0.1596","0.1799","","","","","","0.872","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218967","7.463","","7.747","","15.435","","94.52","","97.04","","117.68","","774.89","","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H7 N O4 -","- C8 H7 N O4 -","- C32 H28 N4 O16 -","4","2","","Saha, Subhankar; Rajput, Lalit; Joseph, Sumy; Mishra, Manish Kumar; Ganguly, Somnath; Desiraju, Gautam R.","IR spectroscopy as a probe for C‒H⋯X hydrogen bonded supramolecular synthons","CrystEngComm","2015","17","6","1273","","10.1039/C4CE02034K","","","0.71073","MoKα","","0.0997","0.0755","","","0.231","0.2758","","","","","","0.974","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218968","28.784","0.019","6.795","0.004","14.074","0.009","90","","94.543","0.009","90","","2744","3","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H15 N3 O4 -","- C14 H15 N3 O4 -","- C112 H120 N24 O32 -","8","1","","Saha, Subhankar; Rajput, Lalit; Joseph, Sumy; Mishra, Manish Kumar; Ganguly, Somnath; Desiraju, Gautam R.","IR spectroscopy as a probe for C‒H⋯X hydrogen bonded supramolecular synthons","CrystEngComm","2015","17","6","1273","","10.1039/C4CE02034K","","","0.71073","MoKα","","0.051","0.0474","","","0.1432","0.1479","","","","","","1.1","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218969","15.0137","0.0018","5.7145","0.0007","17.311","0.002","90","","105.671","0.007","90","","1430","0.3","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 Cl O3 -","- C17 H15 Cl O3 -","- C68 H60 Cl4 O12 -","4","1","","Saha, Subhankar; Rajput, Lalit; Joseph, Sumy; Mishra, Manish Kumar; Ganguly, Somnath; Desiraju, Gautam R.","IR spectroscopy as a probe for C‒H⋯X hydrogen bonded supramolecular synthons","CrystEngComm","2015","17","6","1273","","10.1039/C4CE02034K","","","0.71073","MoKα","","0.0331","0.0302","","","0.0795","0.0814","","","","","","1.063","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218970","3.8793","0.0007","15.208","0.003","23.308","0.004","90","","92.189","0.007","90","","1374.1","0.4","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H8 Br Cl2 O -","- C15 H8 Br Cl2 O -","- C60 H32 Br4 Cl8 O4 -","4","1","","Saha, Subhankar; Rajput, Lalit; Joseph, Sumy; Mishra, Manish Kumar; Ganguly, Somnath; Desiraju, Gautam R.","IR spectroscopy as a probe for C‒H⋯X hydrogen bonded supramolecular synthons","CrystEngComm","2015","17","6","1273","","10.1039/C4CE02034K","","","0.71073","MoKα","","0.0905","0.0509","","","0.0892","0.103","","","","","","1.029","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218971","7.82","0.005","24.093","0.013","7.286","0.004","90","","117.167","0.006","90","","1221.3","1.2","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 F N3 O2 -","- C14 H8 F N3 O2 -","- C56 H32 F4 N12 O8 -","4","1","","Saha, Subhankar; Rajput, Lalit; Joseph, Sumy; Mishra, Manish Kumar; Ganguly, Somnath; Desiraju, Gautam R.","IR spectroscopy as a probe for C‒H⋯X hydrogen bonded supramolecular synthons","CrystEngComm","2015","17","6","1273","","10.1039/C4CE02034K","","","0.71073","MoKα","","0.0551","0.0467","","","0.1343","0.1477","","","","","","1.129","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218972","8.781","0.008","9.08","0.01","11.641","0.012","86.17","0.05","69.02","0.04","73.38","0.04","829.8","1.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H18 N2 O6 -","- C18 H18 N2 O6 -","- C36 H36 N4 O12 -","2","1","","Saha, Subhankar; Rajput, Lalit; Joseph, Sumy; Mishra, Manish Kumar; Ganguly, Somnath; Desiraju, Gautam R.","IR spectroscopy as a probe for C‒H⋯X hydrogen bonded supramolecular synthons","CrystEngComm","2015","17","6","1273","","10.1039/C4CE02034K","","","0.71073","MoKα","","0.0825","0.0608","","","0.1693","0.201","","","","","","1.085","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218973","6.916","0.004","6.922","0.004","11.215","0.008","88.869","0.017","88.15","0.02","72.09","0.02","510.6","0.6","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 F4 N2 O4 -","- C24 H16 F4 N2 O4 -","- C24 H16 F4 N2 O4 -","1","0.5","","Saha, Subhankar; Rajput, Lalit; Joseph, Sumy; Mishra, Manish Kumar; Ganguly, Somnath; Desiraju, Gautam R.","IR spectroscopy as a probe for C‒H⋯X hydrogen bonded supramolecular synthons","CrystEngComm","2015","17","6","1273","","10.1039/C4CE02034K","","","0.71073","MoKα","","0.0543","0.0513","","","0.1458","0.1501","","","","","","1.088","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218974","14.118","0.012","5.881","0.005","15.04","0.013","90","","113.629","0.01","90","","1144","1.7","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 N2 O2 -","- C30 H24 N2 O2 -","- C60 H48 N4 O4 -","2","0.5","","Saha, Subhankar; Rajput, Lalit; Joseph, Sumy; Mishra, Manish Kumar; Ganguly, Somnath; Desiraju, Gautam R.","IR spectroscopy as a probe for C‒H⋯X hydrogen bonded supramolecular synthons","CrystEngComm","2015","17","6","1273","","10.1039/C4CE02034K","","","0.71073","MoKα","","0.0998","0.0872","","","0.2784","0.2901","","","","","","1.149","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7219008","11.225","0.002","31.408","0.006","13.382","0.003","90","","104.79","0.03","90","","4561.6","1.7","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H72 Br2 Mo12 N6 O52 S -","- C60 H72 Br2 Mo12 N6 O52 S -","- C120 H144 Br4 Mo24 N12 O104 S2 -","2","0.5","","Xiong, J.; Kubo, K.; Noro, S.; Akutagawa, T.; Nakamura, T.","Supramolecular cations of (m-halogenated-anilinium)(dibenzo[18]crown-6) in Keggin [SMo12O402−] polyoxometallates","CrystEngComm","2015","17","4","856","","10.1039/C4CE01988A","","","0.71073","MoKα","","0.0379","0.0304","","","0.0685","0.072","","","","","","1.038","","","","has coordinates,has disorder","180521","2020-10-21","18:00:00",""
"7219009","11.273","0.002","31.417","0.006","13.312","0.003","90","","105.12","0.03","90","","4551.4","1.7","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H72 Cl2 Mo12 N6 O52 S -","- C60 H72 Cl2 Mo12 N6 O52 S -","- C120 H144 Cl4 Mo24 N12 O104 S2 -","2","0.5","","Xiong, J.; Kubo, K.; Noro, S.; Akutagawa, T.; Nakamura, T.","Supramolecular cations of (m-halogenated-anilinium)(dibenzo[18]crown-6) in Keggin [SMo12O402−] polyoxometallates","CrystEngComm","2015","17","4","856","","10.1039/C4CE01988A","","","0.71073","MoKα","","0.0441","0.0314","","","0.0645","0.0814","","","","","","1.124","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219010","11.31","0.002","31.231","0.006","13.308","0.003","90","","105.06","0.03","90","","4539.2","1.7","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H72 F2 Mo12 N6 O52 S -","- C60 H72 F2 Mo12 N6 O52 S -","- C120 H144 F4 Mo24 N12 O104 S2 -","2","0.5","","Xiong, J.; Kubo, K.; Noro, S.; Akutagawa, T.; Nakamura, T.","Supramolecular cations of (m-halogenated-anilinium)(dibenzo[18]crown-6) in Keggin [SMo12O402−] polyoxometallates","CrystEngComm","2015","17","4","856","","10.1039/C4CE01988A","","","0.71073","MoKα","","0.0415","0.0382","","","0.0981","0.101","","","","","","1.13","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219011","11.113","0.002","31.24","0.006","13.533","0.003","90","","103.97","0.03","90","","4559.3","1.7","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H74 I2 Mo12 N6 O52 S -","- C60 H74 I2 Mo12 N6 O52 S -","- C120 H148 I4 Mo24 N12 O104 S2 -","2","0.5","","Xiong, J.; Kubo, K.; Noro, S.; Akutagawa, T.; Nakamura, T.","Supramolecular cations of (m-halogenated-anilinium)(dibenzo[18]crown-6) in Keggin [SMo12O402−] polyoxometallates","CrystEngComm","2015","17","4","856","","10.1039/C4CE01988A","","","0.71073","MoKα","","0.0368","0.0305","","","0.0741","0.085","","","","","","1.088","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219020","12.1523","0.0017","12.5597","0.0019","14.3332","0.0014","104.789","0.011","102.134","0.01","107.641","0.013","1915","0.5","173","2","173.15","","","","","","","","","3","P -1","-P 1","2","","","","- C42 H56 O10 -","- C42 H56 O10 -","- C84 H112 O20 -","2","1","","Beyeh, N. K.; Pan, F.; Valkonen, A.; Rissanen, K.","Encapsulation of secondary and tertiary ammonium salts by resorcinarenes and pyrogallarenes: the effect of size and charge concentration","CrystEngComm","2015","17","5","1182","","10.1039/C4CE01927J","","","0.71073","MoKα","","0.0937","0.0631","","","0.1449","0.1768","","","","","","1.082","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219021","12.6722","0.0004","15.1699","0.0005","22.9465","0.0011","90","","90","","90","","4411.1","0.3","173","2","173.15","","","","","","","","","5","P n n n","-P 2ab 2bc","48","","","","- C85 H122 Cl N O22 -","- C85 H122 Cl N O22 -","- C170 H244 Cl2 N2 O44 -","2","","","Beyeh, N. K.; Pan, F.; Valkonen, A.; Rissanen, K.","Encapsulation of secondary and tertiary ammonium salts by resorcinarenes and pyrogallarenes: the effect of size and charge concentration","CrystEngComm","2015","17","5","1182","","10.1039/C4CE01927J","","","0.71073","MoKα","","0.0806","0.0626","","","0.1836","0.205","","","","","","1.048","","","","has coordinates,has disorder","180521","2020-10-21","18:00:00",""
"7219022","12.6356","0.0002","15.106","0.0002","23.0509","0.0003","90","","90","","90","","4399.8","0.11","123.01","0.1","123.01","0.1","","","","","","","","5","P n n n","-P 2ab 2bc","48","","","","- C90 H140 Cl N O26 -","- C90 H140 Cl N O26 -","- C180 H280 Cl2 N2 O52 -","2","","","Beyeh, N. K.; Pan, F.; Valkonen, A.; Rissanen, K.","Encapsulation of secondary and tertiary ammonium salts by resorcinarenes and pyrogallarenes: the effect of size and charge concentration","CrystEngComm","2015","17","5","1182","","10.1039/C4CE01927J","","","1.54184","CuKα","","0.0724","0.0677","","","0.1868","0.1921","","","","","","1.037","","","","has coordinates,has disorder","180521","2020-10-21","18:00:00",""
"7219023","11.48122","0.00017","11.7421","0.0002","17.0131","0.0003","102.669","0.0014","92.3148","0.0013","102.562","0.0014","2174.81","0.07","120.01","0.1","120.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C78 H113.2 Cl N O35.6 -","- C78 H113.2 Cl N O35.6 -","- C78 H113.2 Cl N O35.6 -","1","0.5","","Beyeh, N. K.; Pan, F.; Valkonen, A.; Rissanen, K.","Encapsulation of secondary and tertiary ammonium salts by resorcinarenes and pyrogallarenes: the effect of size and charge concentration","CrystEngComm","2015","17","5","1182","","10.1039/C4CE01927J","","","0.71073","MoKα","","0.0916","0.0871","","","0.2544","0.2596","","","","","","1.052","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219024","22.4355","0.0013","12.3522","0.0006","15.3459","0.0007","90","","90","","90","","4252.8","0.4","173","2","173.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C44 H66 Cl N O11 -","- C42 H56 Cl N O8 -","- C168 H224 Cl4 N4 O32 -","4","1","","Beyeh, N. K.; Pan, F.; Valkonen, A.; Rissanen, K.","Encapsulation of secondary and tertiary ammonium salts by resorcinarenes and pyrogallarenes: the effect of size and charge concentration","CrystEngComm","2015","17","5","1182","","10.1039/C4CE01927J","","x-ray","0.71073","MoKα","","0.113","0.0793","","","0.1485","0.1652","","","","","","1.018","","","","has coordinates,has disorder","180521","2020-10-21","18:00:00",""
"7219025","11.509","0.0003","11.5275","0.0002","18.1749","0.0004","94.3636","0.0017","101.915","0.0018","97.347","0.0018","2326.86","0.09","123","0.1","123","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C45 H72 Cl2 N2 O13 -","- C45 H68.6 Cl2 N2 O13 -","- C90 H137.2 Cl4 N4 O26 -","2","1","","Beyeh, N. K.; Pan, F.; Valkonen, A.; Rissanen, K.","Encapsulation of secondary and tertiary ammonium salts by resorcinarenes and pyrogallarenes: the effect of size and charge concentration","CrystEngComm","2015","17","5","1182","","10.1039/C4CE01927J","","x-ray","1.54184","CuKα","","0.0639","0.0562","","","0.159","0.1638","","","","","","1.017","","","","has coordinates,has disorder","180521","2020-10-21","18:00:00",""
"7219037","14.097","0.0019","14.2015","0.0019","14.2649","0.0019","115.663","0.001","113.627","0.001","97.603","0.002","2190.6","0.5","110","","110","","","","","","","","","6","P -1","-P 1","2","","PCN-514-DMA complex","","- C80 H90 Cd4 N6 O24 Si2 -","- C80 H90 Cd4 N6 O24 Si2 -","- C80 H90 Cd4 N6 O24 Si2 -","1","0.5","","Zhang, Muwei; Bosch, Mathieu; Zhou, Hong-Cai","Pore-controlled formation of 0D metal complexes in anionic 3D metal‒organic frameworks","CrystEngComm","2015","17","5","996","","10.1039/C4CE02261K","","x-ray","0.71073","MoKα","","0.0269","0.0239","","","0.0602","0.062","","","","","","1.045","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219038","26.567","0.005","14.332","0.003","25.354","0.007","90","","119.2","0.002","90","","8427","3","110","","110","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","PCN-518","","- C224 H128 Cd12 O64 Si8 -","- C224 H128 Cd12 O64 Si8 -","- C224 H128 Cd12 O64 Si8 -","1","0.125","","Zhang, Muwei; Bosch, Mathieu; Zhou, Hong-Cai","Pore-controlled formation of 0D metal complexes in anionic 3D metal‒organic frameworks","CrystEngComm","2015","17","5","996","","10.1039/C4CE02261K","","x-ray","0.71073","MoKα","","0.0304","0.0271","","","0.0754","0.0767","","","","","","1.059","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219039","22.76","0.0009","25.263","0.0011","24.146","0.0011","90","","116.121","0.008","90","","12465.6","1.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C208 H241 Cu4 N24 O52 -","- C136 H72 Cu4 O28 -","- C272 H144 Cu8 O56 -","2","1","","Tanaka, K.; Yanamoto, D.; Yoshimura, K.; Anami, T.; Urbanczyk-Lipkowska, Z.","Interpenetrated and non-interpenetrated homochiral metal‒organic frameworks based on (R)-2,2′-dihydroxy-1,1′-binaphthyl-5,5′-dibenzoic acid","CrystEngComm","2015","17","6","1291","","10.1039/C4CE02210F","","","0.71073","MoKα","","0.0797","0.0638","","","0.1736","0.1829","","","","","","1.028","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219040","24.3004","0.0005","24.3004","0.0005","17.1699","0.0005","90","","90","","90","","10139","0.4","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C51 H79 Cu N5 O12 -","- C36 H24 Cu O7 -","- C288 H192 Cu8 O56 -","8","1","","Tanaka, K.; Yanamoto, D.; Yoshimura, K.; Anami, T.; Urbanczyk-Lipkowska, Z.","Interpenetrated and non-interpenetrated homochiral metal‒organic frameworks based on (R)-2,2′-dihydroxy-1,1′-binaphthyl-5,5′-dibenzoic acid","CrystEngComm","2015","17","6","1291","","10.1039/C4CE02210F","","","1.54178","CuKα","","0.0682","0.0626","","","0.1822","0.194","","","","","","1.036","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219043","9.802","0.0015","11.0335","0.0017","12.7221","0.0015","87.172","0.007","84.52","0.007","85.678","0.007","1364.5","0.3","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","6-(2'-Pyridyl)-6,7-dihydro-5H-dipyrido[3,2-d:2',3'-f][1,3]diazepine","","- C16 H13 N5 -","- C16 H13 N5 -","- C64 H52 N20 -","4","2","","Wang, Jian; Hayward, John J.; Gumbau-Brisa, Roger; Wallis, John D.; Stoeckli-Evans, Helen; Pilkington, Melanie","Probing the reactivity of a 2,2′-bipyridyl-3,3′-bis-imine ligand by X-ray crystallography","CrystEngComm","2015","17","5","1159","","10.1039/C4CE01952K","","","0.71073","MoKα","","0.128","0.0559","","","0.1008","0.1338","","","","","","0.986","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219044","10.9614","0.0006","20.1743","0.0011","8.7356","0.0005","90","","101.49","0.003","90","","1893.06","0.18","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","E,E-N3,N3'-Bis(2-pyridylmethylene)-(2,2'-bipyridine)-3,3'-diamine","","- C22 H16 N6 -","- C22 H16 N6 -","- C88 H64 N24 -","4","1","","Wang, Jian; Hayward, John J.; Gumbau-Brisa, Roger; Wallis, John D.; Stoeckli-Evans, Helen; Pilkington, Melanie","Probing the reactivity of a 2,2′-bipyridyl-3,3′-bis-imine ligand by X-ray crystallography","CrystEngComm","2015","17","5","1159","","10.1039/C4CE01952K","","","0.71073","MoKα","","0.0869","0.0529","","","0.0994","0.111","","","","","","1.098","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219045","8.2407","0.0009","10.3017","0.0011","15.4495","0.0016","103.709","0.012","98.082","0.012","101.143","0.013","1226","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","[6-(2'-Pyridyl)-6,7-dihydro-5H-dipyrido[3,2-d:2',3'-f][1,3]diazepine] copper(II)(hfac)(triflate)","","- C23 H14 Cu F9 N5 O4 -","- C23 H14 Cu F9 N5 O4 -","- C46 H28 Cu2 F18 N10 O8 -","2","1","","Wang, Jian; Hayward, John J.; Gumbau-Brisa, Roger; Wallis, John D.; Stoeckli-Evans, Helen; Pilkington, Melanie","Probing the reactivity of a 2,2′-bipyridyl-3,3′-bis-imine ligand by X-ray crystallography","CrystEngComm","2015","17","5","1159","","10.1039/C4CE01952K","","","0.71073","MoKα","","0.0661","0.0422","","","0.1056","0.1305","","","","","","1.082","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219046","4.9022","0.0006","13.8842","0.0015","15.385","0.002","90","","99.095","0.016","90","","1034","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N3,N3-Bis(Methoxy(pyridin-2-yl)methyl)-2,2-bipyridine-3,3-diamine","","- C24 H24 N6 O2 -","- C24 H24 N6 O2 -","- C48 H48 N12 O4 -","2","0.5","","Wang, Jian; Hayward, John J.; Gumbau-Brisa, Roger; Wallis, John D.; Stoeckli-Evans, Helen; Pilkington, Melanie","Probing the reactivity of a 2,2′-bipyridyl-3,3′-bis-imine ligand by X-ray crystallography","CrystEngComm","2015","17","5","1159","","10.1039/C4CE01952K","","","0.71073","MoKα","","0.0774","0.0352","","","0.0728","0.0833","","","","","","0.826","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219047","9.5227","0.0008","12.9131","0.0011","13.7732","0.0011","80.759","0.01","80.757","0.01","84.987","0.01","1646.7","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","[5-(2'-Pyridinoyl)-6-(pyrid-2-yl)-5H-dipyrido[3,2-d:2',3'-f][1,3]diazepine] complex with Zn(hfac)2","","- C32 H16 F12 N6 O5 Zn -","- C32 H16 F12 N6 O5 Zn -","- C64 H32 F24 N12 O10 Zn2 -","2","1","","Wang, Jian; Hayward, John J.; Gumbau-Brisa, Roger; Wallis, John D.; Stoeckli-Evans, Helen; Pilkington, Melanie","Probing the reactivity of a 2,2′-bipyridyl-3,3′-bis-imine ligand by X-ray crystallography","CrystEngComm","2015","17","5","1159","","10.1039/C4CE01952K","","","0.71073","MoKα","","0.0831","0.0465","","","0.1089","0.1291","","","","","","0.902","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219064","22.744","0.006","12.83","0.004","8.896","0.003","90","","93.181","0.005","90","","2591.9","1.4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H15 Cu N2 O4 -","- C11 H15 Cu N2 O4 -","- C88 H120 Cu8 N16 O32 -","8","1","","Han, Lu-Lu; Wang, Su-Na; Jagličić, Zvonko; Zeng, Su-Yuan; Zheng, Jun; Li, Zhong-Hui; Chen, Jiang-Shan; Sun, Di","Synthesis, structural versatility and magnetic properties of a series of copper(ii) coordination polymers based on bipyrazole and various dicarboxylate ligands","CrystEngComm","2015","17","6","1405","","10.1039/C4CE02248C","","","0.71073","MOKα","","0.0662","0.0411","","","0.0913","0.1039","","","","","","1.052","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219065","8.524","0.003","18.381","0.007","18.735","0.008","90","","98.788","0.008","90","","2900.9","1.9","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C56 H74 Cu2 N16 O8 -","- C56 H74 Cu2 N16 O8 -","- C112 H148 Cu4 N32 O16 -","2","1","","Han, Lu-Lu; Wang, Su-Na; Jagličić, Zvonko; Zeng, Su-Yuan; Zheng, Jun; Li, Zhong-Hui; Chen, Jiang-Shan; Sun, Di","Synthesis, structural versatility and magnetic properties of a series of copper(ii) coordination polymers based on bipyrazole and various dicarboxylate ligands","CrystEngComm","2015","17","6","1405","","10.1039/C4CE02248C","","","0.71073","MOKα","","0.0539","0.0436","","","0.0984","0.1052","","","","","","1.018","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219066","19.944","0.004","14.835","0.003","18.434","0.004","90","","90","","90","","5454","2","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H36 Cu N6 O4.5 -","- C24 H36 Cu N6 O4.5 -","- C192 H288 Cu8 N48 O36 -","8","1","","Han, Lu-Lu; Wang, Su-Na; Jagličić, Zvonko; Zeng, Su-Yuan; Zheng, Jun; Li, Zhong-Hui; Chen, Jiang-Shan; Sun, Di","Synthesis, structural versatility and magnetic properties of a series of copper(ii) coordination polymers based on bipyrazole and various dicarboxylate ligands","CrystEngComm","2015","17","6","1405","","10.1039/C4CE02248C","","","0.71073","MoKα","","0.088","0.0495","","","0.1145","0.1388","","","","","","1.024","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219067","19.048","0.008","11.728","0.005","12.28","0.006","90","","104.772","0.008","90","","2653","2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 Cu2 N4 O10 -","- C26 H24 Cu2 N4 O10 -","- C104 H96 Cu8 N16 O40 -","4","1","","Han, Lu-Lu; Wang, Su-Na; Jagličić, Zvonko; Zeng, Su-Yuan; Zheng, Jun; Li, Zhong-Hui; Chen, Jiang-Shan; Sun, Di","Synthesis, structural versatility and magnetic properties of a series of copper(ii) coordination polymers based on bipyrazole and various dicarboxylate ligands","CrystEngComm","2015","17","6","1405","","10.1039/C4CE02248C","","","0.71073","MoKα","","0.1204","0.0555","","","0.1086","0.1422","","","","","","0.973","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219068","11.5514","0.001","8.5414","0.0008","18.5063","0.0017","90","","90","","90","","1825.9","0.3","298","2","298","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C18 H18 Cu N4 O4 -","- C18 H18 Cu N4 O4 -","- C72 H72 Cu4 N16 O16 -","4","0.5","","Han, Lu-Lu; Wang, Su-Na; Jagličić, Zvonko; Zeng, Su-Yuan; Zheng, Jun; Li, Zhong-Hui; Chen, Jiang-Shan; Sun, Di","Synthesis, structural versatility and magnetic properties of a series of copper(ii) coordination polymers based on bipyrazole and various dicarboxylate ligands","CrystEngComm","2015","17","6","1405","","10.1039/C4CE02248C","","","0.71073","MOKα","","0.0631","0.0382","","","0.115","0.1594","","","","","","1.077","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219069","11.141","0.002","11.587","0.002","12.965","0.003","108.642","0.003","100.671","0.004","91.455","0.004","1552","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H32 Cu2 N4 O9 -","- C30 H32 Cu2 N4 O9 -","- C60 H64 Cu4 N8 O18 -","2","1","","Han, Lu-Lu; Wang, Su-Na; Jagličić, Zvonko; Zeng, Su-Yuan; Zheng, Jun; Li, Zhong-Hui; Chen, Jiang-Shan; Sun, Di","Synthesis, structural versatility and magnetic properties of a series of copper(ii) coordination polymers based on bipyrazole and various dicarboxylate ligands","CrystEngComm","2015","17","6","1405","","10.1039/C4CE02248C","","","0.71073","MoKα","","0.1184","0.0675","","","0.169","0.239","","","","","","1.119","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219070","11.5804","0.0016","11.6236","0.0016","12.3308","0.0018","113.262","0.002","114.306","0.002","96.107","0.002","1316.1","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H29 Cu2 N4 O8 -","- C25 H29 Cu2 N4 O8 -","- C50 H58 Cu4 N8 O16 -","2","1","","Han, Lu-Lu; Wang, Su-Na; Jagličić, Zvonko; Zeng, Su-Yuan; Zheng, Jun; Li, Zhong-Hui; Chen, Jiang-Shan; Sun, Di","Synthesis, structural versatility and magnetic properties of a series of copper(ii) coordination polymers based on bipyrazole and various dicarboxylate ligands","CrystEngComm","2015","17","6","1405","","10.1039/C4CE02248C","","","0.71073","MoKα","","0.0737","0.0446","","","0.0994","0.109","","","","","","0.903","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219071","8.394","0.003","5.7287","0.0018","9.35","0.003","90","","115.074","0.004","90","","407.2","0.2","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H6 Cu N5 -","- C7 H6 Cu N5 -","- C14 H12 Cu2 N10 -","2","1","","Dong, Ruoting; Chen, Xinli; Li, Qianhong; Hu, Mingyuan; Huang, Lanfen; Li, Chuwen; Shen, Moyuan; Deng, Hong","((1H-tetrazol-5-yl) methyl) pyridine-based metal coordination complexes: in situ tetrazole synthesis, crystal structures, luminescence properties","CrystEngComm","2015","17","6","1305","","10.1039/C4CE01981D","","","0.71073","MoKα","","0.051","0.037","","","0.0797","0.0866","","","","","","1.009","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219072","7.1396","0.0002","15.8266","0.0003","8.6026","0.0002","90","","100.464","0.001","90","","955.89","0.04","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C7 H6 Cl N5 Zn -","- C7 H6 Cl N5 Zn -","- C28 H24 Cl4 N20 Zn4 -","4","1","","Dong, Ruoting; Chen, Xinli; Li, Qianhong; Hu, Mingyuan; Huang, Lanfen; Li, Chuwen; Shen, Moyuan; Deng, Hong","((1H-tetrazol-5-yl) methyl) pyridine-based metal coordination complexes: in situ tetrazole synthesis, crystal structures, luminescence properties","CrystEngComm","2015","17","6","1305","","10.1039/C4CE01981D","","","0.71073","MoKα","","0.0223","0.021","","","0.0428","0.0433","","","","","","1.001","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219073","9.4625","0.0003","10.8617","0.0004","10.8624","0.0004","61.068","0.002","79.796","0.002","71.95","0.002","928.5","0.06","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H24 Cd3 N26 -","- C28 H24 Cd3 N26 -","- C28 H24 Cd3 N26 -","1","0.5","","Dong, Ruoting; Chen, Xinli; Li, Qianhong; Hu, Mingyuan; Huang, Lanfen; Li, Chuwen; Shen, Moyuan; Deng, Hong","((1H-tetrazol-5-yl) methyl) pyridine-based metal coordination complexes: in situ tetrazole synthesis, crystal structures, luminescence properties","CrystEngComm","2015","17","6","1305","","10.1039/C4CE01981D","","","0.71073","MoKα","","0.0818","0.0485","","","0.107","0.1238","","","","","","0.99","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219074","8.8772","0.0007","9.1848","0.0007","12.0335","0.001","90","","94.284","0.001","90","","978.41","0.13","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 Cl N5 Zn -","- C7 H6 Cl N5 Zn -","- C28 H24 Cl4 N20 Zn4 -","4","1","","Dong, Ruoting; Chen, Xinli; Li, Qianhong; Hu, Mingyuan; Huang, Lanfen; Li, Chuwen; Shen, Moyuan; Deng, Hong","((1H-tetrazol-5-yl) methyl) pyridine-based metal coordination complexes: in situ tetrazole synthesis, crystal structures, luminescence properties","CrystEngComm","2015","17","6","1305","","10.1039/C4CE01981D","","","0.71073","MoKα","","0.0632","0.0545","","","0.1652","0.1727","","","","","","1.097","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219075","12.396","0.002","6.7324","0.0012","13.672","0.002","90","","90","","90","","1141","0.3","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C7 H9 N5 O6 S Zn2 -","- C7 H9 N5 O6 S Zn2 -","- C28 H36 N20 O24 S4 Zn8 -","4","0.5","","Dong, Ruoting; Chen, Xinli; Li, Qianhong; Hu, Mingyuan; Huang, Lanfen; Li, Chuwen; Shen, Moyuan; Deng, Hong","((1H-tetrazol-5-yl) methyl) pyridine-based metal coordination complexes: in situ tetrazole synthesis, crystal structures, luminescence properties","CrystEngComm","2015","17","6","1305","","10.1039/C4CE01981D","","","0.71073","MoKα","","0.0652","0.0633","","","0.1557","0.1566","","","","","","1.008","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219076","12.9012","0.0013","14.0247","0.0014","7.0282","0.0007","90","","90","","90","","1271.7","0.2","273","2","273","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C7 H9 Cd2 N5 O6 S -","- C7 H9 Cd2 N5 O6 S -","- C28 H36 Cd8 N20 O24 S4 -","4","1","","Dong, Ruoting; Chen, Xinli; Li, Qianhong; Hu, Mingyuan; Huang, Lanfen; Li, Chuwen; Shen, Moyuan; Deng, Hong","((1H-tetrazol-5-yl) methyl) pyridine-based metal coordination complexes: in situ tetrazole synthesis, crystal structures, luminescence properties","CrystEngComm","2015","17","6","1305","","10.1039/C4CE01981D","","","0.71073","MoKα","","0.0198","0.0192","","","0.0464","0.047","","","","","","1.089","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219082","9.6484","0.0006","11.7939","0.0007","11.8603","0.0005","73.671","0.004","67.426","0.005","74.356","0.005","1175.85","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H22 Mg2 O14 S2 -","- C18 H22 Mg2 O14 S2 -","- C36 H44 Mg4 O28 S4 -","2","1","","Song, Ying; Feng, Mei-Ling; Wu, Zhao-Feng; Huang, Xiao-Ying","Solvent-assisted construction of diverse Mg-TDC coordination polymers","CrystEngComm","2015","17","6","1348","","10.1039/C4CE02288B","","","0.71073","MoKα","","0.0615","0.0499","","","0.1238","0.132","","","","","","1.007","","","","has coordinates,has disorder","180521","2020-10-21","18:00:00",""
"7219083","10.6233","0.0003","14.7624","0.0005","15.8152","0.0004","76.453","0.002","74.011","0.002","70.088","0.003","2214.51","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H32 Mg4 O20 S8 -","- C32 H32 Mg4 O20 S8 -","- C64 H64 Mg8 O40 S16 -","2","1","","Song, Ying; Feng, Mei-Ling; Wu, Zhao-Feng; Huang, Xiao-Ying","Solvent-assisted construction of diverse Mg-TDC coordination polymers","CrystEngComm","2015","17","6","1348","","10.1039/C4CE02288B","","","1.54184","CuKα","","0.068","0.0626","","","0.1585","0.1632","","","","","","1.011","","","","has coordinates,has disorder","180521","2020-10-21","18:00:00",""
"7219084","22.2398","0.0001","22.2398","0.0001","12.301","0.0001","90","","90","","90","","6084.18","0.06","100","2","100","2","","","","","","","","6","P 42/n m c :2","-P 4ac 2a","137","","","","- C22 H29.5 Mg2 N2.5 O12 S2 -","- C14 H7 Mg2 O10 S2 -","- C112 H56 Mg16 O80 S16 -","8","0.5","","Song, Ying; Feng, Mei-Ling; Wu, Zhao-Feng; Huang, Xiao-Ying","Solvent-assisted construction of diverse Mg-TDC coordination polymers","CrystEngComm","2015","17","6","1348","","10.1039/C4CE02288B","","","1.54178","CuKα","","0.0323","0.0308","","","0.0898","0.0917","","","","","","1.013","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219085","12.9363","0.0006","15.858","0.0008","9.0474","0.0007","90","","120.978","0.01","90","","1591.3","0.2","295","2","295","2","","","","","","","","6","C 1 m 1","C -2y","8","","","","- C23 H34 Mg2 N3 O14 S2 -","- C23 H34 Mg2 N3 O14 S2 -","- C46 H68 Mg4 N6 O28 S4 -","2","0.5","","Song, Ying; Feng, Mei-Ling; Wu, Zhao-Feng; Huang, Xiao-Ying","Solvent-assisted construction of diverse Mg-TDC coordination polymers","CrystEngComm","2015","17","6","1348","","10.1039/C4CE02288B","","","0.71073","MoKα","","0.0507","0.0443","","","0.1087","0.1158","","","","","","1.038","","","","has coordinates,has disorder","180521","2020-10-21","18:00:00",""
"7219086","17.8916","0.0015","19.6745","0.0017","19.088","0.002","90","","90","","90","","6719.1","1.1","123","","123","","","","","","","","M.Klein","7","P n a 21","P 2c -2n","33","","","","- C58 H60 Cl12 Co N8 O2 S2 -","- C58 H60 Cl12 Co N8 O2 S2 -","- C232 H240 Cl48 Co4 N32 O8 S8 -","4","1","","Maximilian Klein, Y.; Constable, Edwin C.; Housecroft, Catherine E.; Prescimone, Alessandro","A 3-dimensional {42·84}lvtnet built from a ditopic bis(3,2′:6′,3″-terpyridine) tecton bearing long alkyl tails","CrystEngComm","2015","17","10","2070","","10.1039/C4CE02347A","","","1.54178","CuKα","","0.1464","0.1343","","0.3268","0.317","0.3268","","","","","","1.0827","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219087","6.3606","0.0008","8.016","0.001","20.077","0.003","90","","93.498","0.002","90","","1021.8","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Ag N3 O2 -","- C10 H8 Ag N3 O2 -","- C40 H32 Ag4 N12 O8 -","4","1","","Yang, Jian; Xie, Gui-Dan; Chen, Xue-Fei; Wu, Duo; Lin, Xiao-Ming; Zhang, Gang; Cai, Yue-Peng","A series of variable coordination polymers based on flexible aromatic carboxylates","CrystEngComm","2015","17","6","1326","","10.1039/C4CE01994F","","","0.71073","MoKα","","0.0283","0.0259","","","0.0712","0.0725","","","","","","1.078","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219088","23.034","0.008","9.401","0.003","9.582","0.003","90","","104.962","0.004","90","","2004.6","1.1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 Cu N6 O5 -","- C20 H17 Cu N6 O5 -","- C80 H68 Cu4 N24 O20 -","4","0.5","","Yang, Jian; Xie, Gui-Dan; Chen, Xue-Fei; Wu, Duo; Lin, Xiao-Ming; Zhang, Gang; Cai, Yue-Peng","A series of variable coordination polymers based on flexible aromatic carboxylates","CrystEngComm","2015","17","6","1326","","10.1039/C4CE01994F","","","0.71073","MoKα","","0.0686","0.0414","","","0.0864","0.0989","","","","","","1.015","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219089","23.812","0.005","8.411","0.0015","10.8594","0.0019","90","","111.132","0.004","90","","2028.7","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H17 Eu N6 O6 -","- C21 H16 Eu N6 O6 -","- C84 H64 Eu4 N24 O24 -","4","0.5","","Yang, Jian; Xie, Gui-Dan; Chen, Xue-Fei; Wu, Duo; Lin, Xiao-Ming; Zhang, Gang; Cai, Yue-Peng","A series of variable coordination polymers based on flexible aromatic carboxylates","CrystEngComm","2015","17","6","1326","","10.1039/C4CE01994F","","","0.71073","MoKα","","0.0438","0.0363","","","0.0775","0.0819","","","","","","1.057","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219090","10.788","0.0012","25.337","0.003","9.4619","0.001","90","","97.026","0.001","90","","2566.9","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H23 Ag N4 O4 -","- C30 H23 Ag N4 O4 -","- C120 H92 Ag4 N16 O16 -","4","1","","Yang, Jian; Xie, Gui-Dan; Chen, Xue-Fei; Wu, Duo; Lin, Xiao-Ming; Zhang, Gang; Cai, Yue-Peng","A series of variable coordination polymers based on flexible aromatic carboxylates","CrystEngComm","2015","17","6","1326","","10.1039/C4CE01994F","","","0.71073","MoKα","","0.0593","0.0383","","","0.0843","0.0946","","","","","","1.001","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219091","14.578","0.003","5.8741","0.0014","15.358","0.004","90","","96.23","0.003","90","","1307.4","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H22 Cu N4 O4 -","- C30 H22 Cu N4 O4 -","- C60 H44 Cu2 N8 O8 -","2","0.5","","Yang, Jian; Xie, Gui-Dan; Chen, Xue-Fei; Wu, Duo; Lin, Xiao-Ming; Zhang, Gang; Cai, Yue-Peng","A series of variable coordination polymers based on flexible aromatic carboxylates","CrystEngComm","2015","17","6","1326","","10.1039/C4CE01994F","","","0.71073","MoKα","","0.0364","0.0299","","","0.0773","0.0818","","","","","","1.028","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219092","17.931","0.004","8.4694","0.0019","26.347","0.006","90","","93.148","0.003","90","","3995.1","1.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H33 Eu N6 O6 -","- C45 H33 Eu N6 O6 -","- C180 H132 Eu4 N24 O24 -","4","1","","Yang, Jian; Xie, Gui-Dan; Chen, Xue-Fei; Wu, Duo; Lin, Xiao-Ming; Zhang, Gang; Cai, Yue-Peng","A series of variable coordination polymers based on flexible aromatic carboxylates","CrystEngComm","2015","17","6","1326","","10.1039/C4CE01994F","","","0.71073","MoKα","","0.0831","0.0559","","","0.1463","0.1629","","","","","","1.057","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219116","10.882","0.002","11.587","0.002","13.273","0.003","113.3","0.03","96.32","0.03","95.46","0.03","1510","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H29 Cu3 N8 O40 Si W12 -","- C33 H24 Cu3 N8 O40 Si W12 -","- C33 H24 Cu3 N8 O40 Si W12 -","1","0.5","","Xiao, Li-Na; Wang, La-Mei; Shan, Xiao-Nan; Guo, Hai-Yang; Fu, Li-Wei; Hu, Yang-Yang; Cui, Xiao-Bing; Li, Ke-Chang; Xu, Ji-Qing","Secondary organic moiety templated organic‒inorganic polyoxometalate-based frameworks","CrystEngComm","2015","17","6","1336","","10.1039/C4CE02043J","","","0.71073","MoKα","","0.1029","0.0688","","","0.1515","0.1758","","","","","","1.064","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219117","23.402","0.002","21.76","0.002","26.461","0.003","90","","116.239","0.002","90","","12086","2","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C35 H31 Cu3 Mo12 N8 O40.5 P -","- C35 H30 Cu3 Mo12 N8 O40.5 P -","- C280 H240 Cu24 Mo96 N64 O324 P8 -","8","1","","Xiao, Li-Na; Wang, La-Mei; Shan, Xiao-Nan; Guo, Hai-Yang; Fu, Li-Wei; Hu, Yang-Yang; Cui, Xiao-Bing; Li, Ke-Chang; Xu, Ji-Qing","Secondary organic moiety templated organic‒inorganic polyoxometalate-based frameworks","CrystEngComm","2015","17","6","1336","","10.1039/C4CE02043J","","","0.71073","MoKα","","0.0886","0.0549","","","0.1388","0.1555","","","","","","1.026","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219118","10.8252","0.0014","10.8613","0.0014","23.243","0.003","90","","104.379","0.005","90","","2647.2","0.6","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 Cu2 Mo12 N6 O40 P -","- C25 H16 Cu2 Mo12 N6 O40 P -","- C50 H32 Cu4 Mo24 N12 O80 P2 -","2","0.5","","Xiao, Li-Na; Wang, La-Mei; Shan, Xiao-Nan; Guo, Hai-Yang; Fu, Li-Wei; Hu, Yang-Yang; Cui, Xiao-Bing; Li, Ke-Chang; Xu, Ji-Qing","Secondary organic moiety templated organic‒inorganic polyoxometalate-based frameworks","CrystEngComm","2015","17","6","1336","","10.1039/C4CE02043J","","","0.71073","MoKα","","0.071","0.0566","","","0.1359","0.1454","","","","","","1.015","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219119","22.726","0.004","15.455","0.003","12.036","0.002","90","","115.17","0.03","90","","3826","1.5","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C54 H44 Cu2 N10 O42 P W12 -","- C54 H40 Cu2 N10 O42 P W12 -","- C108 H80 Cu4 N20 O84 P2 W24 -","2","0.25","","Xiao, Li-Na; Wang, La-Mei; Shan, Xiao-Nan; Guo, Hai-Yang; Fu, Li-Wei; Hu, Yang-Yang; Cui, Xiao-Bing; Li, Ke-Chang; Xu, Ji-Qing","Secondary organic moiety templated organic‒inorganic polyoxometalate-based frameworks","CrystEngComm","2015","17","6","1336","","10.1039/C4CE02043J","","","0.71073","MoKα","","0.1086","0.1017","","","0.2294","0.2347","","","","","","1.027","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219120","54.695","0.002","9.8891","0.0004","16.877","0.0006","90","","92.628","0.005","90","","9118.9","0.6","140","2","140","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","12-2Ar","","- C42 H80 Br2 N2 O3 -","- C42 H80 Br2 N2 O3 -","- C336 H640 Br16 N16 O24 -","8","1","","Sheng, Yujie; Yao, Junyao; Chen, Qibin; Liu, Honglai","Effect of 1D twisted water chains confined in channels formed by a Gemini amphiphile on its crystal stability","CrystEngComm","2015","17","6","1439","","10.1039/C4CE01879F","","","1.54178","CuKα","","0.1484","0.1241","","","0.3079","0.3304","","","","","","1.172","","","","has coordinates,has disorder","180522","2020-10-21","18:00:00",""
"7219121","5.3146","0.0008","11.977","0.0018","19.719","0.003","90","","90","","90","","1255.2","0.3","296","2","296","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C12 H12 Cd O6 -","- C12 H12 Cd O6 -","- C48 H48 Cd4 O24 -","4","0.5","","Sun, Qian; Cheng, Ai-Ling; Wang, Kun; Yi, Xiu-Chun; Gao, En-Qing","Chiral or achiral: four isomeric Cd(ii) coordination polymers based on phenylenediacrylate ligands","CrystEngComm","2015","17","6","1389","","10.1039/C4CE02019G","","","0.71073","MoKα","","0.0212","0.0181","","","0.0459","0.0472","","","","","","1.088","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219122","11.823","0.002","5.3348","0.0011","20.053","0.004","90","","94.81","0.003","90","","1260.4","0.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 Cd O6 -","- C12 H12 Cd O6 -","- C48 H48 Cd4 O24 -","4","0.5","","Sun, Qian; Cheng, Ai-Ling; Wang, Kun; Yi, Xiu-Chun; Gao, En-Qing","Chiral or achiral: four isomeric Cd(ii) coordination polymers based on phenylenediacrylate ligands","CrystEngComm","2015","17","6","1389","","10.1039/C4CE02019G","","","0.71073","MoKα","","0.0386","0.0344","","","0.0776","0.0808","","","","","","1.025","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219123","11.289","0.002","8.0295","0.0011","14.209","0.004","90","","101.506","0.003","90","","1262.1","0.5","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H12 Cd O6 -","- C12 H12 Cd O6 -","- C48 H48 Cd4 O24 -","4","2","","Sun, Qian; Cheng, Ai-Ling; Wang, Kun; Yi, Xiu-Chun; Gao, En-Qing","Chiral or achiral: four isomeric Cd(ii) coordination polymers based on phenylenediacrylate ligands","CrystEngComm","2015","17","6","1389","","10.1039/C4CE02019G","","","0.71073","MoKα","","0.0277","0.0266","","","0.062","0.0628","","","","","","1.042","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219124","11.6229","0.0004","8.0177","0.0003","26.8738","0.001","90","","93.789","0.001","90","","2498.87","0.16","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Cd O6 -","- C12 H12 Cd O6 -","- C96 H96 Cd8 O48 -","8","2","","Sun, Qian; Cheng, Ai-Ling; Wang, Kun; Yi, Xiu-Chun; Gao, En-Qing","Chiral or achiral: four isomeric Cd(ii) coordination polymers based on phenylenediacrylate ligands","CrystEngComm","2015","17","6","1389","","10.1039/C4CE02019G","","","0.71073","MoKα","","0.0465","0.042","","","0.0946","0.0972","","","","","","1.159","","","","has coordinates,has disorder","180522","2020-10-21","18:00:00",""
"7219125","6.894","0.0011","7.6323","0.0012","9.9174","0.0015","79.286","0.002","71.221","0.002","81.683","0.002","483.41","0.13","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C16 H26 B2 N2 O8 -","- C16 H26 B2 N2 O8 -","- C16 H26 B2 N2 O8 -","1","1","","Hernández-Paredes, Javier; Olvera-Tapia, Ana L.; Arenas-García, Jenniffer I.; Höpfl, Herbert; Morales-Rojas, Hugo; Herrera-Ruiz, Dea; Gonzaga-Morales, Ana I.; Rodríguez-Fragoso, Lourdes","On molecular complexes derived from amino acids and nicotinamides in combination with boronic acids","CrystEngComm","2015","17","28","5166","","10.1039/C4CE01934B","","","0.71073","MoKα","","0.0526","0.0484","","","0.1074","0.1098","","","","","","1.17","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219126","13.493","0.006","7.8123","0.0033","6.585","0.0027","90","","100.294","0.0021","90","","683","0.5","293","","293","","","","","","","","see text","6","P 1 21 1","P 2yb","4","cocrystal (I) of 4-iodophenylboronic acid with L-proline (1:1)","","","- C11 H15 B I N O4 -","- C11 H15 B I N O4 -","- C22 H30 B2 I2 N2 O8 -","2","1","","Hernández-Paredes, Javier; Olvera-Tapia, Ana L.; Arenas-García, Jenniffer I.; Höpfl, Herbert; Morales-Rojas, Hugo; Herrera-Ruiz, Dea; Gonzaga-Morales, Ana I.; Rodríguez-Fragoso, Lourdes","On molecular complexes derived from amino acids and nicotinamides in combination with boronic acids","CrystEngComm","2015","17","28","5166","","10.1039/C4CE01934B","powder diffraction","","1.5406","CuKα~1~","","","","","","","","0.0619","","1.95","","","","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219127","7.8693","0.0013","5.1027","0.0008","23.951","0.004","90","","90.465","0.003","90","","961.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 B2 N4 O6 -","- C18 H20 B2 N4 O6 -","- C36 H40 B4 N8 O12 -","2","0.5","","Hernández-Paredes, Javier; Olvera-Tapia, Ana L.; Arenas-García, Jenniffer I.; Höpfl, Herbert; Morales-Rojas, Hugo; Herrera-Ruiz, Dea; Gonzaga-Morales, Ana I.; Rodríguez-Fragoso, Lourdes","On molecular complexes derived from amino acids and nicotinamides in combination with boronic acids","CrystEngComm","2015","17","28","5166","","10.1039/C4CE01934B","","","0.71073","MoKα","","0.0417","0.0373","","","0.1049","0.1086","","","","","","1.048","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219128","26.56","0.011","7.8526","0.0034","6.5921","0.0028","90","","90","","90","","1374.9","1","293","","293","","","","","","","","see text","6","P 21 21 21","P 2ac 2ab","19","cocrystal (II) of 4-iodophenylboronic acid with L-proline (1:1)","","","- C11 H15 B I N O4 -","- C11 H15 B I N O4 -","- C44 H60 B4 I4 N4 O16 -","4","1","","Hernández-Paredes, Javier; Olvera-Tapia, Ana L.; Arenas-García, Jenniffer I.; Höpfl, Herbert; Morales-Rojas, Hugo; Herrera-Ruiz, Dea; Gonzaga-Morales, Ana I.; Rodríguez-Fragoso, Lourdes","On molecular complexes derived from amino acids and nicotinamides in combination with boronic acids","CrystEngComm","2015","17","28","5166","","10.1039/C4CE01934B","powder diffraction","","1.5406","CuKα~1~","","","","","","","","0.06323","","2.09","","","","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219129","5.1113","0.0007","11.2936","0.0016","12.0927","0.0017","76.589","0.002","84.831","0.002","78.494","0.002","664.67","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H12 B I N2 O3 -","- C12 H12 B I N2 O3 -","- C24 H24 B2 I2 N4 O6 -","2","1","","Hernández-Paredes, Javier; Olvera-Tapia, Ana L.; Arenas-García, Jenniffer I.; Höpfl, Herbert; Morales-Rojas, Hugo; Herrera-Ruiz, Dea; Gonzaga-Morales, Ana I.; Rodríguez-Fragoso, Lourdes","On molecular complexes derived from amino acids and nicotinamides in combination with boronic acids","CrystEngComm","2015","17","28","5166","","10.1039/C4CE01934B","","","0.71073","MoKα","","0.0381","0.0327","","","0.074","0.0758","","","","","","1.058","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219130","34.686","0.008","4.0087","0.0009","10.092","0.002","90","","90","","90","","1403.2","0.5","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C12 H12 B I N2 O3 -","- C12 H12 B I N2 O3 -","- C48 H48 B4 I4 N8 O12 -","4","1","","Hernández-Paredes, Javier; Olvera-Tapia, Ana L.; Arenas-García, Jenniffer I.; Höpfl, Herbert; Morales-Rojas, Hugo; Herrera-Ruiz, Dea; Gonzaga-Morales, Ana I.; Rodríguez-Fragoso, Lourdes","On molecular complexes derived from amino acids and nicotinamides in combination with boronic acids","CrystEngComm","2015","17","28","5166","","10.1039/C4CE01934B","","","0.71073","MoKα","","0.0598","0.0531","","","0.1108","0.1135","","","","","","1.163","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219131","12.179","0.005","9.055","0.004","5.6453","0.0022","90","","95.1941","0.0018","90","","620","0.4","293","","293","","","","","","","","see text","5","P 1 21 1","P 2yb","4","cocrystal of phenylboronic acid with L-proline (1:1)","","","- C11 H16 B N O4 -","- C11 H16 B N O4 -","- C22 H32 B2 N2 O8 -","2","1","","Hernández-Paredes, Javier; Olvera-Tapia, Ana L.; Arenas-García, Jenniffer I.; Höpfl, Herbert; Morales-Rojas, Hugo; Herrera-Ruiz, Dea; Gonzaga-Morales, Ana I.; Rodríguez-Fragoso, Lourdes","On molecular complexes derived from amino acids and nicotinamides in combination with boronic acids","CrystEngComm","2015","17","28","5166","","10.1039/C4CE01934B","powder diffraction","","1.5406","CuKα~1~","","","","","","","","0.11395","","2.97","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219132","7.6856","0.0014","5.8462","0.0011","14.933","0.003","90","","103.953","0.003","90","","651.2","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H18 B N O5 -","- C11 H18 B N O5 -","- C22 H36 B2 N2 O10 -","2","1","","Hernández-Paredes, Javier; Olvera-Tapia, Ana L.; Arenas-García, Jenniffer I.; Höpfl, Herbert; Morales-Rojas, Hugo; Herrera-Ruiz, Dea; Gonzaga-Morales, Ana I.; Rodríguez-Fragoso, Lourdes","On molecular complexes derived from amino acids and nicotinamides in combination with boronic acids","CrystEngComm","2015","17","28","5166","","10.1039/C4CE01934B","","","0.71073","MoKα","","0.0452","0.0434","","","0.1133","0.1146","","","","","","1.136","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219133","5.619","0.0001","12.232","0.0004","8.384","0.0003","90","","104.304","0.0012","90","","558.38","0.03","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","Lamivudine_Hydrobromide","","","- C8 H12 Br N3 O3 S -","- C8 H12 Br N3 O3 S -","- C16 H24 Br2 N6 O6 S2 -","2","1","","Tenorio Clavijo, Juan Carlos; Guimarães, Freddy Fernandes; Ellena, Javier; Martins, Felipe Terra","Isostructurality and the conformational role of the 2′,3′-moieties in the diversity of lamivudine crystal forms probed in halide salts","CrystEngComm","2015","17","28","5187","","10.1039/C4CE02373K","","x-ray","0.71073","MoKα","","0.0245","0.0239","","","0.0567","0.057","","","","","","1.079","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219134","5.689","0.005","12.288","0.005","8.419","0.005","90","","103.897","0.005","90","","571.3","0.6","293","2","293","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","Lamivudine_Hydrobromide","","","- C8 H12 Br N3 O3 S -","- C8 H12 Br N3 O3 S -","- C16 H24 Br2 N6 O6 S2 -","2","1","","Tenorio Clavijo, Juan Carlos; Guimarães, Freddy Fernandes; Ellena, Javier; Martins, Felipe Terra","Isostructurality and the conformational role of the 2′,3′-moieties in the diversity of lamivudine crystal forms probed in halide salts","CrystEngComm","2015","17","28","5187","","10.1039/C4CE02373K","","x-ray","0.71073","MoKα","","0.046","0.0368","","","0.0611","0.0654","","","","","","0.936","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219135","5.3598","0.0001","12.0206","0.0004","8.6306","0.0003","90","","104.55","0.001","90","","538.22","0.03","100","2","100","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","Lamivudine_Hydrofluoride","","","- C8 H13 F2 N3 O3 S -","- C8 H13 F2 N3 O3 S -","- C16 H26 F4 N6 O6 S2 -","2","1","","Tenorio Clavijo, Juan Carlos; Guimarães, Freddy Fernandes; Ellena, Javier; Martins, Felipe Terra","Isostructurality and the conformational role of the 2′,3′-moieties in the diversity of lamivudine crystal forms probed in halide salts","CrystEngComm","2015","17","28","5187","","10.1039/C4CE02373K","","x-ray","0.71073","MoKα","","0.034","0.0313","","","0.074","0.0757","","","","","","1.085","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219136","5.4349","0.0001","12.0714","0.0003","8.6515","0.0003","90","","103.854","0.002","90","","551.09","0.03","293","2","293","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","Lamivudine_Hydrofluoride","","","- C8 H13 F2 N3 O3 S -","- C8 H13 F2 N3 O3 S -","- C16 H26 F4 N6 O6 S2 -","2","1","","Tenorio Clavijo, Juan Carlos; Guimarães, Freddy Fernandes; Ellena, Javier; Martins, Felipe Terra","Isostructurality and the conformational role of the 2′,3′-moieties in the diversity of lamivudine crystal forms probed in halide salts","CrystEngComm","2015","17","28","5187","","10.1039/C4CE02373K","","x-ray","0.71073","MoKα","","0.0341","0.0308","","","0.0772","0.0803","","","","","","1.067","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219137","6.077","0.0007","16.324","0.002","6.344","0.0007","90","","115.577","0.008","90","","567.66","0.12","293","2","293","2","","","","","","","Polymorph Screening","6","P 1 21 1","P 2yb","4","lamivudine hydrochloride","4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-(1H)-pyrimidin-2-one hydrochloride","","- C8 H12 Cl N3 O3 S -","- C8 H12 Cl N3 O3 S -","- C16 H24 Cl2 N6 O6 S2 -","2","1","","Tenorio Clavijo, Juan Carlos; Guimarães, Freddy Fernandes; Ellena, Javier; Martins, Felipe Terra","Isostructurality and the conformational role of the 2′,3′-moieties in the diversity of lamivudine crystal forms probed in halide salts","CrystEngComm","2015","17","28","5187","","10.1039/C4CE02373K","","x-ray","0.71073","MoKα","","0.0857","0.0635","","","0.1566","0.1754","","","","","","1.069","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219144","11.3111","0.0015","13.5636","0.0018","16.321","0.002","81.613","0.002","75.368","0.002","67.987","0.002","2242.5","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H32 Hg3 I6 N4 O2 -","- C35 H32 Hg3 I6 N4 O2 -","- C70 H64 Hg6 I12 N8 O4 -","2","1","","Liu, Qing-Xiang; Zhao, Zhi-Xiang; Zhao, Xiao-Jun; Wei, Qing; Chen, Ai-Hui; Li, Hui-Long; Wang, Xiu-Guang","Structures of NHC Hg(ii) and Ag(i) complexes and selective recognition of nitrate anion","CrystEngComm","2015","17","6","1358","","10.1039/C4CE01519C","","","0.71073","MoKα","","0.0584","0.0471","","","0.1245","0.1326","","","","","","1.037","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219145","44.8","0.003","17.1348","0.0013","17.7314","0.0014","90","","90","","90","","13611.3","1.7","296","2","296","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C30 H36 Ag F6 N6 O2 P -","- C30 H36 Ag F6 N6 O2 P -","- C480 H576 Ag16 F96 N96 O32 P16 -","16","1","","Liu, Qing-Xiang; Zhao, Zhi-Xiang; Zhao, Xiao-Jun; Wei, Qing; Chen, Ai-Hui; Li, Hui-Long; Wang, Xiu-Guang","Structures of NHC Hg(ii) and Ag(i) complexes and selective recognition of nitrate anion","CrystEngComm","2015","17","6","1358","","10.1039/C4CE01519C","","","0.71073","MoKα","","0.0356","0.031","","","0.0867","0.0912","","","","","","1.027","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219146","10.8182","0.0005","20.4671","0.001","18.6333","0.0009","90","","101.76","0.001","90","","4039.1","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H38 Ag2 Cl4 N6 O2 -","- C43 H38 Ag2 Cl4 N6 O2 -","- C172 H152 Ag8 Cl16 N24 O8 -","4","1","","Liu, Qing-Xiang; Zhao, Zhi-Xiang; Zhao, Xiao-Jun; Wei, Qing; Chen, Ai-Hui; Li, Hui-Long; Wang, Xiu-Guang","Structures of NHC Hg(ii) and Ag(i) complexes and selective recognition of nitrate anion","CrystEngComm","2015","17","6","1358","","10.1039/C4CE01519C","","","0.71073","MoKα","","0.0442","0.0354","","","0.0877","0.0934","","","","","","1.046","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219147","14.416","0.0012","15.8007","0.0013","23.0337","0.0014","90","","127.396","0.003","90","","4168.3","0.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H32 Cl10 Hg5 N4 O2 -","- C27 H32 Cl10 Hg5 N4 O2 -","- C108 H128 Cl40 Hg20 N16 O8 -","4","1","","Liu, Qing-Xiang; Zhao, Zhi-Xiang; Zhao, Xiao-Jun; Wei, Qing; Chen, Ai-Hui; Li, Hui-Long; Wang, Xiu-Guang","Structures of NHC Hg(ii) and Ag(i) complexes and selective recognition of nitrate anion","CrystEngComm","2015","17","6","1358","","10.1039/C4CE01519C","","","0.71073","MoKα","","0.0539","0.037","","","0.0788","0.0895","","","","","","1.011","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219148","11.7672","0.0009","19.2956","0.0009","19.0562","0.0011","90","","90.292","0.001","90","","4326.8","0.5","296","2","296","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C38 H44 Hg2 I4 N4 O3 S -","- C38 H44 Hg2 I4 N4 O3 S -","- C152 H176 Hg8 I16 N16 O12 S4 -","4","1","","Liu, Qing-Xiang; Zhao, Zhi-Xiang; Zhao, Xiao-Jun; Wei, Qing; Chen, Ai-Hui; Li, Hui-Long; Wang, Xiu-Guang","Structures of NHC Hg(ii) and Ag(i) complexes and selective recognition of nitrate anion","CrystEngComm","2015","17","6","1358","","10.1039/C4CE01519C","","","0.71073","MoKα","","0.039","0.0384","","","0.0917","0.092","","","","","","1.057","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219149","10.84","0.004","13.647","0.005","25.631","0.009","90","","102.5","0.013","90","","3702","2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H42 Ag Cr N4 O5.5 -","- C38 H42 Ag Cr N4 O5.5 -","- C152 H168 Ag4 Cr4 N16 O22 -","4","1","","Liu, Qing-Xiang; Zhao, Zhi-Xiang; Zhao, Xiao-Jun; Wei, Qing; Chen, Ai-Hui; Li, Hui-Long; Wang, Xiu-Guang","Structures of NHC Hg(ii) and Ag(i) complexes and selective recognition of nitrate anion","CrystEngComm","2015","17","6","1358","","10.1039/C4CE01519C","","","0.71073","MoKα","","0.0677","0.0603","","","0.1639","0.1718","","","","","","1.066","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219150","14.5037","0.0006","14.5037","0.0006","18.1126","0.001","90","","90","","90","","3810.1","0.3","173","2","173","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C43 H40 Cl2 Hg N6 O3 -","- C43 H40 Cl2 Hg N6 O3 -","- C172 H160 Cl8 Hg4 N24 O12 -","4","0.5","","Liu, Qing-Xiang; Zhao, Zhi-Xiang; Zhao, Xiao-Jun; Wei, Qing; Chen, Ai-Hui; Li, Hui-Long; Wang, Xiu-Guang","Structures of NHC Hg(ii) and Ag(i) complexes and selective recognition of nitrate anion","CrystEngComm","2015","17","6","1358","","10.1039/C4CE01519C","","","0.71073","MoKα","","0.0235","0.022","","","0.0545","0.0556","","","","","","1.004","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219151","11.4527","0.0006","20.9738","0.0011","15.9974","0.0008","90","","99.621","0.001","90","","3788.6","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H42 Cl4 Hg2 N4 O2 -","- C38 H42 Cl4 Hg2 N4 O2 -","- C152 H168 Cl16 Hg8 N16 O8 -","4","1","","Liu, Qing-Xiang; Zhao, Zhi-Xiang; Zhao, Xiao-Jun; Wei, Qing; Chen, Ai-Hui; Li, Hui-Long; Wang, Xiu-Guang","Structures of NHC Hg(ii) and Ag(i) complexes and selective recognition of nitrate anion","CrystEngComm","2015","17","6","1358","","10.1039/C4CE01519C","","","0.71073","MoKα","","0.0311","0.0259","","","0.0628","0.0695","","","","","","1.049","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219152","15.457","0.0004","13.4361","0.0002","13.8616","0.0003","90","","113.356","0.003","90","","2642.91","0.11","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H40 F12 N4 Ni2 O12 -","- C54 H40 F12 N4 Ni2 O12 -","- C108 H80 F24 N8 Ni4 O24 -","2","0.5","","Yang, Yan-Yan; Lin, Zu-Jin; Liu, Tao-Tao; Liang, Jun; Cao, Rong","Synthesis, structures and physical properties of mixed-ligand coordination polymers based on a V-shaped dicarboxylic ligand","CrystEngComm","2015","17","6","1381","","10.1039/C4CE02163K","","","1.54184","CuKα","","0.0428","0.0328","","","0.0812","0.0887","","","","","","1.026","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219153","29.6835","0.001","22.611","0.0008","8.2315","0.0002","90","","92.633","0.003","90","","5518.9","0.3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C111 H84 F24 N10 Ni4 O21 -","- C111 H84 F24 N10 Ni4 O21 -","- C222 H168 F48 N20 Ni8 O42 -","2","0.25","","Yang, Yan-Yan; Lin, Zu-Jin; Liu, Tao-Tao; Liang, Jun; Cao, Rong","Synthesis, structures and physical properties of mixed-ligand coordination polymers based on a V-shaped dicarboxylic ligand","CrystEngComm","2015","17","6","1381","","10.1039/C4CE02163K","","","1.54184","CuKα","","0.0651","0.0515","","","0.1467","0.1562","","","","","","1.071","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219154","12.1471","0.0004","14.5855","0.0007","17.494","0.0007","111.295","0.004","90.612","0.003","91.087","0.003","2886.8","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H42 F12 N4 Ni2 O13 -","- C55 H42 F12 N4 Ni2 O12.25 -","- C110 H84 F24 N8 Ni4 O24.5 -","2","1","","Yang, Yan-Yan; Lin, Zu-Jin; Liu, Tao-Tao; Liang, Jun; Cao, Rong","Synthesis, structures and physical properties of mixed-ligand coordination polymers based on a V-shaped dicarboxylic ligand","CrystEngComm","2015","17","6","1381","","10.1039/C4CE02163K","","","1.54184","CuKα","","0.09","0.0799","","","0.211","0.2167","","","","","","1.187","","","","has coordinates,has disorder","180522","2020-10-21","18:00:00",""
"7219155","14.4565","0.0004","38.2307","0.0008","10.008","0.0002","90","","109.779","0.003","90","","5204.9","0.2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28.5 H19.5 F6 N2.5 O4.5 Zn -","- C28.5 H19.5 F6 N2.5 O4.5 Zn -","- C228 H156 F48 N20 O36 Zn8 -","8","1","","Yang, Yan-Yan; Lin, Zu-Jin; Liu, Tao-Tao; Liang, Jun; Cao, Rong","Synthesis, structures and physical properties of mixed-ligand coordination polymers based on a V-shaped dicarboxylic ligand","CrystEngComm","2015","17","6","1381","","10.1039/C4CE02163K","","","0.71073","MoKα","","0.0612","0.0389","","","0.0987","0.1091","","","","","","0.949","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219156","27.963","0.013","5.091","0.002","16.89","0.008","90","","118.873","0.007","90","","2105.6","1.6","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H24 N4 O7 -","- C20 H24 N4 O7 -","- C80 H96 N16 O28 -","4","0.5","","Bera, Santu; Maity, Sibaprasad; Haldar, Debasish","Assembly of encapsulated water in hybrid bisamides: helical and zigzag water chains","CrystEngComm","2015","17","7","1569","","10.1039/C4CE01950D","","","0.71073","MoKα","","0.069","0.0508","","","0.1341","0.1631","","","","","","0.91","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219157","18.863","0.016","4.534","0.004","14.98","0.012","90","","113.37","0.02","90","","1176.1","1.7","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C21 H28 N4 O8 -","- C21 H28 N4 O8 -","- C42 H56 N8 O16 -","2","0.5","","Bera, Santu; Maity, Sibaprasad; Haldar, Debasish","Assembly of encapsulated water in hybrid bisamides: helical and zigzag water chains","CrystEngComm","2015","17","7","1569","","10.1039/C4CE01950D","","","0.71073","MoKα","","0.0454","0.0338","","","0.0913","0.1054","","","","","","0.845","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219158","21.196","0.011","4.605","0.003","10.551","0.006","90","","90","","90","","1029.9","1","296","2","296","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C19 H22 N4 O7 -","- C19 H22 N4 O7 -","- C38 H44 N8 O14 -","2","0.5","","Bera, Santu; Maity, Sibaprasad; Haldar, Debasish","Assembly of encapsulated water in hybrid bisamides: helical and zigzag water chains","CrystEngComm","2015","17","7","1569","","10.1039/C4CE01950D","","","0.71073","MoKα","","0.0553","0.0379","","","0.102","0.1193","","","","","","0.833","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219159","6.886","0.007","19.68","0.02","16.336","0.019","90","","100.08","0.02","90","","2180","4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H26 N4 O10 -","- C18 H26 N4 O10 -","- C72 H104 N16 O40 -","4","0.5","","Bera, Santu; Maity, Sibaprasad; Haldar, Debasish","Assembly of encapsulated water in hybrid bisamides: helical and zigzag water chains","CrystEngComm","2015","17","7","1569","","10.1039/C4CE01950D","","","0.71073","MoKα","","0.0957","0.0647","","","0.1755","0.2005","","","","","","1.295","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219166","21.622","0.002","17.5525","0.0016","16.4817","0.0016","90","","110.836","0.002","90","","5846.1","1","296","2","296","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C30 H30 Co1.5 N3 O21 Ru3 -","- C30 H30 Co1.5 N3 O21 Ru3 -","- C120 H120 Co6 N12 O84 Ru12 -","4","0.5","","Li, Shenshen; Chen, Yu-Sheng; Mulfort, Karen L.","Structural modification in bimetallic Ru(iii)‒Co(ii) metal‒organic frameworks","CrystEngComm","2015","17","5","1005","","10.1039/C4CE02064B","","","0.49594","","","0.1482","0.0847","","","0.2264","0.2506","","","","","","0.927","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219167","55.289","0.013","28.916","0.005","17.468","0.003","90","","95.92","0.005","90","","27778","9","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C180 H196 Co3 N18 O124 Ru24 -","- C180 H180 Co3 N18 O124 Ru24 -","- C360 H360 Co6 N36 O248 Ru48 -","2","0.25","","Li, Shenshen; Chen, Yu-Sheng; Mulfort, Karen L.","Structural modification in bimetallic Ru(iii)‒Co(ii) metal‒organic frameworks","CrystEngComm","2015","17","5","1005","","10.1039/C4CE02064B","","","0.44487","","","0.1627","0.1287","","","0.353","0.3774","","","","","","1.343","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219168","30.4852","0.001","9.0518","0.0003","20.1865","0.0007","90","","107.086","0.003","90","","5324.5","0.3","129.8","0.5","129.8","0.5","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H46 Eu2 N2 O19 -","- C50 H46 Eu2 N2 O19 -","- C200 H184 Eu8 N8 O76 -","4","0.5","","He, Yan-Fei; Chen, Di-Ming; Xu, Hang; Cheng, Peng","Structural diversity of luminescent lanthanide metal‒organic frameworks based on a V-shaped ligand","CrystEngComm","2015","17","12","2471","","10.1039/C4CE02380C","","","0.71073","MoKα","","0.0532","0.0485","","","0.1256","0.1312","","","","","","1.036","","","","has coordinates,has disorder","180522","2020-10-21","18:00:00",""
"7219169","30.379","0.002","8.9963","0.0004","20.1175","0.0014","90","","107.423","0.008","90","","5245.8","0.6","130.4","0.2","130.4","0.2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H46 N2 O19 Tb2 -","- C50 H46 N2 O19 Tb2 -","- C200 H184 N8 O76 Tb8 -","4","0.5","","He, Yan-Fei; Chen, Di-Ming; Xu, Hang; Cheng, Peng","Structural diversity of luminescent lanthanide metal‒organic frameworks based on a V-shaped ligand","CrystEngComm","2015","17","12","2471","","10.1039/C4CE02380C","","","0.71073","MoKα","","0.0848","0.0794","","","0.2103","0.2169","","","","","","1.047","","","","has coordinates,has disorder","180522","2020-10-21","18:00:00",""
"7219170","9.4805","0.0004","13.8989","0.0007","16.646","0.0009","85.35","0.004","76.57","0.004","72.158","0.005","2030.71","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H41 Eu N3 O15 -","- C37 H42 Eu N3 O15 -","- C74 H84 Eu2 N6 O30 -","2","1","","He, Yan-Fei; Chen, Di-Ming; Xu, Hang; Cheng, Peng","Structural diversity of luminescent lanthanide metal‒organic frameworks based on a V-shaped ligand","CrystEngComm","2015","17","12","2471","","10.1039/C4CE02380C","","","0.71073","MoKα","","0.0389","0.0331","","","0.079","0.0828","","","","","","1.063","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219171","9.3955","0.0005","13.8663","0.0006","16.5559","0.001","85.363","0.004","76.965","0.005","72.239","0.005","2001","0.2","130.3","0.14","130.3","0.14","","","","","","","","5","P -1","-P 1","2","","","","- C37 H42 N3 O15 Tb -","- C37 H42 N3 O15 Tb -","- C74 H84 N6 O30 Tb2 -","2","1","","He, Yan-Fei; Chen, Di-Ming; Xu, Hang; Cheng, Peng","Structural diversity of luminescent lanthanide metal‒organic frameworks based on a V-shaped ligand","CrystEngComm","2015","17","12","2471","","10.1039/C4CE02380C","","","0.71073","MoKα","","0.0347","0.0308","","","0.0693","0.0726","","","","","","1.054","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219172","9.4187","0.0006","28.0878","0.0014","16.7579","0.0011","90","","99.446","0.006","90","","4373.2","0.5","133.8","0.2","133.8","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H34 Eu2 N O18 -","- C45 H35 Eu2 N O18 -","- C180 H140 Eu8 N4 O72 -","4","1","","He, Yan-Fei; Chen, Di-Ming; Xu, Hang; Cheng, Peng","Structural diversity of luminescent lanthanide metal‒organic frameworks based on a V-shaped ligand","CrystEngComm","2015","17","12","2471","","10.1039/C4CE02380C","","","0.71073","MoKα","","0.0662","0.0512","","","0.12","0.1305","","","","","","1.034","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219173","9.3673","0.0004","27.9636","0.0009","16.8012","0.0006","90","","99.382","0.004","90","","4342.1","0.3","129.6","0.2","129.6","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H35 N O18 Tb2 -","- C45 H35 N O18 Tb2 -","- C180 H140 N4 O72 Tb8 -","4","1","","He, Yan-Fei; Chen, Di-Ming; Xu, Hang; Cheng, Peng","Structural diversity of luminescent lanthanide metal‒organic frameworks based on a V-shaped ligand","CrystEngComm","2015","17","12","2471","","10.1039/C4CE02380C","","","0.71073","MoKα","","0.0505","0.0432","","","0.1007","0.1056","","","","","","1.08","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219174","14.774","0.002","14.774","0.002","14.774","0.002","90","","90","","90","","3224.7","0.8","150","0.2","150","0.2","","","","","","","","8","F m -3 m","-F 4 2 3","225","","","","- C6 H28 Mo3 N14 O2 Re3 S8 Zn3 -","- C6 H24.48 Mo3 N14 O1.98 Re3 S8 Zn3 -","- C24 H97.92 Mo12 N56 O7.92 Re12 S32 Zn12 -","4","0.0208333","","Virovets, Alexander V.; Gayfulin, Yakov M.; Peresypkina, Eugenia V.; Mironov, Yuri V.; Naumov, Nikolay G.","Novel ‘anti-Prussian blue’ structure based on Zn2+nodes and [Re3Mo3S8(CN)6]6−heterometallic cluster spacers and its rearrangement to Prussian blue","CrystEngComm","2015","17","6","1477","","10.1039/C4CE02240H","","","0.71073","MoKα","","0.0535","0.0433","","","0.1079","0.1169","","","","","","1.178","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219175","14.9831","0.0003","14.9831","0.0003","14.9831","0.0003","90","","90","","90","","3363.61","0.12","150","0.2","150","0.2","","","","","","","","8","P m -3 m","-P 4 2 3","221","","","","- C18 H114 Mo9 N50 O9 Re9 S24 Zn9 -","- C18 H119.52 Mo9 N50 O9 Re9 S24 Zn9 -","- C18 H119.52 Mo9 N50 O9 Re9 S24 Zn9 -","1","0.0208333","","Virovets, Alexander V.; Gayfulin, Yakov M.; Peresypkina, Eugenia V.; Mironov, Yuri V.; Naumov, Nikolay G.","Novel ‘anti-Prussian blue’ structure based on Zn2+nodes and [Re3Mo3S8(CN)6]6−heterometallic cluster spacers and its rearrangement to Prussian blue","CrystEngComm","2015","17","6","1477","","10.1039/C4CE02240H","","","0.71073","MoKα","","0.0534","0.038","","","0.1217","0.1327","","","","","","1.123","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219184","9.4022","0.0008","13.4466","0.0012","17.5161","0.0015","89.367","0.002","87.358","0.001","87.449","0.001","2209.9","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H46 N14 Ni2 O14 V4 -","- C28 H46 N14 Ni2 O14 V4 -","- C56 H92 N28 Ni4 O28 V8 -","2","1","","Wu, Shujun; Yang, Xinhang; Hu, Jufang; Ma, Hongwei; Lin, Zhengguo; Hu, Changwen","Synthesis, structure and characterization of three different dimension inorganic‒organic hybrid vanadates: [Co2(mIM)5(H2O)2]V4O12, [Ni2(mIM)7(H2O)]V4O12·H2O and [Cd(eIM)2(H2O)]V2O6","CrystEngComm","2015","17","7","1625","","10.1039/C4CE02335H","","","0.71073","MoKα","","0.0825","0.0469","","","0.087","0.0954","","","","","","1.021","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219185","11.477","0.0011","17.835","0.0016","17.835","0.0016","90","","90","","90","","3650.7","0.6","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H34 Co2 N10 O14 V4 -","- C20 H34 Co2 N10 O14 V4 -","- C80 H136 Co8 N40 O56 V16 -","4","1","","Wu, Shujun; Yang, Xinhang; Hu, Jufang; Ma, Hongwei; Lin, Zhengguo; Hu, Changwen","Synthesis, structure and characterization of three different dimension inorganic‒organic hybrid vanadates: [Co2(mIM)5(H2O)2]V4O12, [Ni2(mIM)7(H2O)]V4O12·H2O and [Cd(eIM)2(H2O)]V2O6","CrystEngComm","2015","17","7","1625","","10.1039/C4CE02335H","","","0.71073","MoKα","","0.1628","0.0843","","","0.1929","0.2213","","","","","","1.054","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219186","9.4328","0.0011","16.3873","0.0017","11.3981","0.0012","90","","99.731","0.002","90","","1736.5","0.3","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H18 Cd N4 O7 V2 -","- C10 H18 Cd N4 O7 V2 -","- C40 H72 Cd4 N16 O28 V8 -","4","1","","Wu, Shujun; Yang, Xinhang; Hu, Jufang; Ma, Hongwei; Lin, Zhengguo; Hu, Changwen","Synthesis, structure and characterization of three different dimension inorganic‒organic hybrid vanadates: [Co2(mIM)5(H2O)2]V4O12, [Ni2(mIM)7(H2O)]V4O12·H2O and [Cd(eIM)2(H2O)]V2O6","CrystEngComm","2015","17","7","1625","","10.1039/C4CE02335H","","","0.71073","MoKα","","0.0515","0.0329","","","0.0603","0.0691","","","","","","1.066","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219198","13.9817","0.0019","14.1817","0.0019","14.27","0.003","115.922","0.002","113.196","0.002","97.144","0.001","2183.4","0.6","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C82 H90 Cd4 N6 O24 Si2 -","- C82 H90 Cd4 N6 O24 Si2 -","- C82 H90 Cd4 N6 O24 Si2 -","1","0.5","","Zhang, Muwei; Bosch, Mathieu; Zhou, Hong-Cai","Pore-controlled formation of 0D metal complexes in anionic 3D metal‒organic frameworks","CrystEngComm","2015","17","5","996","","10.1039/C4CE02261K","","","0.71073","MoKα","","0.034","0.0326","","","0.0805","0.0813","","","","","","1.007","","","","has coordinates,has disorder","180522","2020-10-21","18:00:00",""
"7219199","13.875","0.007","14.072","0.007","14.208","0.007","116.3","0.005","109.724","0.005","101.428","0.005","2133.1","1.9","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H88 Cd4 N8 O24 Si2 -","- C80 H88 Cd4 N8 O24 Si2 -","- C80 H88 Cd4 N8 O24 Si2 -","1","0.5","","Zhang, Muwei; Bosch, Mathieu; Zhou, Hong-Cai","Pore-controlled formation of 0D metal complexes in anionic 3D metal‒organic frameworks","CrystEngComm","2015","17","5","996","","10.1039/C4CE02261K","","","0.71073","MoKα","","0.0549","0.0491","","","0.117","0.1213","","","","","","1.001","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219200","10.975","0.004","21.227","0.007","34.042","0.01","87.099","0.007","82.157","0.006","83.536","0.006","7802","4","196","2","196","2","","","","","","","","6","P -1","-P 1","2","","","","- C128 H196 Cl6 N2 O32 Si16 -","- C128 H196 Cl6 N2 O32 Si16 -","- C256 H392 Cl12 N4 O64 Si32 -","2","1","","Zhang, Ying; Zhang, Liangliang; Liu, Heyuan; Sun, Di; Li, Xiyou","Synthesis and aggregation properties of a series of dumbbell polyhedral oligosilsesquioxane-perylene diimide triads","CrystEngComm","2015","17","6","1453","","10.1039/C4CE02392G","","","0.71073","MoKα","","0.4307","0.1564","","","0.3682","0.4661","","","","","","0.778","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7219201","15.31","0.008","15.323","0.009","37.78","0.02","100.751","0.01","95.049","0.011","102.622","0.01","8420","8","190","2","190","2","","","","","","","","6","P -1","-P 1","2","","","","- C135 H193 Cl9 N2 O32 Si16 -","- C135 H193 Cl9 N2 O32 Si16 -","- C270 H386 Cl18 N4 O64 Si32 -","2","1","","Zhang, Ying; Zhang, Liangliang; Liu, Heyuan; Sun, Di; Li, Xiyou","Synthesis and aggregation properties of a series of dumbbell polyhedral oligosilsesquioxane-perylene diimide triads","CrystEngComm","2015","17","6","1453","","10.1039/C4CE02392G","","","0.71073","MoKα","","0.4064","0.1858","","","0.4245","0.5002","","","","","","0.864","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7219202","11.3824","0.0002","21.8344","0.0004","23.7734","0.0005","86.5313","0.0016","81.6042","0.0018","83.2088","0.0017","5798.4","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C86 H146 N2 O28 Si16 -","- C86 H146 N2 O28 Si16 -","- C172 H292 N4 O56 Si32 -","2","1","","Zhang, Ying; Zhang, Liangliang; Liu, Heyuan; Sun, Di; Li, Xiyou","Synthesis and aggregation properties of a series of dumbbell polyhedral oligosilsesquioxane-perylene diimide triads","CrystEngComm","2015","17","6","1453","","10.1039/C4CE02392G","","","1.5418","CuKα","","0.3009","0.2148","","","0.5006","0.5282","","","","","","1.159","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219204","9.6197","0.0001","9.6197","0.0001","28.4217","0.0009","90","","90","","120","","2277.74","0.08","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C75 H84 Mn3 N30 O18 -","- C75 H72 Mn3 N30 O18 -","- C75 H72 Mn3 N30 O18 -","1","0.166667","","Yu, Fan; Xiang, Mi; Li, Ai-hua; Zhang, Yu-min; Li, Bao","Structural diversities and magnetic properties of azide-containing coordination polymers based on flexible tetra-pyridinate ligands","CrystEngComm","2015","17","7","1556","","10.1039/C4CE02252A","","","0.71073","MoKα","","0.1228","0.1162","","","0.3151","0.3272","","","","","","1.119","","","","has coordinates,has disorder","180523","2020-10-21","18:00:00",""
"7219205","11.9644","0.0011","11.7512","0.0009","20.5623","0.0016","90","","96.341","0.008","90","","2873.3","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H24 N16 Ni2 O4 -","- C25 H24 N16 Ni2 O4 -","- C100 H96 N64 Ni8 O16 -","4","0.5","","Yu, Fan; Xiang, Mi; Li, Ai-hua; Zhang, Yu-min; Li, Bao","Structural diversities and magnetic properties of azide-containing coordination polymers based on flexible tetra-pyridinate ligands","CrystEngComm","2015","17","7","1556","","10.1039/C4CE02252A","","","0.71073","MoKα","","0.0719","0.0407","","","0.0764","0.0819","","","","","","0.898","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219206","16.2734","0.0018","18.977","0.003","19.136","0.002","90","","111.964","0.014","90","","5480.7","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H58 Mn N14 O12 -","- C51 H48 Mn N14 O12 -","- C204 H192 Mn4 N56 O48 -","4","1","","Yu, Fan; Xiang, Mi; Li, Ai-hua; Zhang, Yu-min; Li, Bao","Structural diversities and magnetic properties of azide-containing coordination polymers based on flexible tetra-pyridinate ligands","CrystEngComm","2015","17","7","1556","","10.1039/C4CE02252A","","","0.71073","MoKα","","0.1009","0.0469","","","0.1081","0.1197","","","","","","0.836","","","","has coordinates,has disorder","180523","2020-10-21","18:00:00",""
"7219207","10.2918","0.0001","10.2918","0.0001","33.1588","0.0008","90","","90","","90","","3512.22","0.1","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C25 H24 Co2 N16 O4 -","- C25 H24 Co2 N16 O4 -","- C100 H96 Co8 N64 O16 -","4","0.25","","Yu, Fan; Xiang, Mi; Li, Ai-hua; Zhang, Yu-min; Li, Bao","Structural diversities and magnetic properties of azide-containing coordination polymers based on flexible tetra-pyridinate ligands","CrystEngComm","2015","17","7","1556","","10.1039/C4CE02252A","","","1.54178","CuKα","","0.0607","0.0469","","","0.1651","0.1758","","","","","","1.104","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219208","5.19126","0.00015","33.428","0.001","9.217","0.0003","90","","112.021","0.0014","90","","1482.77","0.08","298.1","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 Cl N O3 -","- C15 H16 Cl N O3 -","- C60 H64 Cl4 N4 O12 -","4","1","","Yamada, Shinji; Katsuki, Ayaka; Nojiri, Yuka; Tokugawa, Yoko","Vapochromism associated with the changes in the molecular arrangement of organic crystals","CrystEngComm","2015","17","6","1416","","10.1039/C4CE01314J","","","1.54187","CuKα","","","0.05","","","","0.151","","","","","","1.113","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219209","7.12742","0.00015","12.8781","0.0003","15.9623","0.0005","90","","103.45","0.0014","90","","1424.96","0.06","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Cl N O2 -","- C16 H16 Cl N O2 -","- C64 H64 Cl4 N4 O8 -","4","1","","Yamada, Shinji; Katsuki, Ayaka; Nojiri, Yuka; Tokugawa, Yoko","Vapochromism associated with the changes in the molecular arrangement of organic crystals","CrystEngComm","2015","17","6","1416","","10.1039/C4CE01314J","","","1.54187","CuKα","","","0.037","","","","0.1004","","","","","","1.073","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219210","4.88516","0.00018","8.6653","0.0003","18.6176","0.0007","86.98","0.003","85.549","0.003","80.147","0.002","773.52","0.05","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 Cl N O3 -","- C16 H18 Cl N O3 -","- C32 H36 Cl2 N2 O6 -","2","1","","Yamada, Shinji; Katsuki, Ayaka; Nojiri, Yuka; Tokugawa, Yoko","Vapochromism associated with the changes in the molecular arrangement of organic crystals","CrystEngComm","2015","17","6","1416","","10.1039/C4CE01314J","","","1.54187","CuKα","","","0.0549","","","","0.1249","","","","","","0.923","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219212","7.807","0.003","6.49","0.003","10.879","0.003","90","","117.15","0.02","90","","490.5","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H3 Cu N4 S -","- C2 H3 Cu N4 S -","- C8 H12 Cu4 N16 S4 -","4","1","","Liu, Beibei; Bai, Liang; Lin, Xiaoling; Li, Kaixuan; Huang, Hui; Hu, Hailiang; Liu, Yang; Kang, Zhenhui","Crystal engineering towards the luminescence property trimming of hybrid coordination polymers","CrystEngComm","2015","17","7","1686","","10.1039/C4CE02121E","","","0.71073","MoKα","","0.0482","0.0466","","","0.1285","0.1304","","","","","","1.043","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219213","11.4672","0.0009","7.1734","0.0006","17.2977","0.0014","90","","102.957","0.001","90","","1386.66","0.19","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C2 H3 Cl Cu2 N4 S -","- C2 H3 Cl Cu2 N4 S -","- C16 H24 Cl8 Cu16 N32 S8 -","8","1","","Liu, Beibei; Bai, Liang; Lin, Xiaoling; Li, Kaixuan; Huang, Hui; Hu, Hailiang; Liu, Yang; Kang, Zhenhui","Crystal engineering towards the luminescence property trimming of hybrid coordination polymers","CrystEngComm","2015","17","7","1686","","10.1039/C4CE02121E","","","0.71073","MoKα","","0.0228","0.0204","","","0.0485","0.0495","","","","","","1.067","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219214","8.7795","0.0014","6.4704","0.0011","10.8283","0.0017","90","","106.422","0.002","90","","590.03","0.17","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3 H5 Cu N4 S -","- C3 H5 Cu N4 S -","- C12 H20 Cu4 N16 S4 -","4","1","","Liu, Beibei; Bai, Liang; Lin, Xiaoling; Li, Kaixuan; Huang, Hui; Hu, Hailiang; Liu, Yang; Kang, Zhenhui","Crystal engineering towards the luminescence property trimming of hybrid coordination polymers","CrystEngComm","2015","17","7","1686","","10.1039/C4CE02121E","","","0.71073","MoKα","","0.0303","0.0266","","","0.0666","0.0684","","","","","","1.066","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219215","11.1796","0.0017","8.4442","0.0014","17.314","0.003","90","","103.158","0.002","90","","1591.6","0.5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C3 H5 Cl Cu2 N4 S -","- C3 H5 Cl Cu2 N4 S -","- C24 H40 Cl8 Cu16 N32 S8 -","8","1","","Liu, Beibei; Bai, Liang; Lin, Xiaoling; Li, Kaixuan; Huang, Hui; Hu, Hailiang; Liu, Yang; Kang, Zhenhui","Crystal engineering towards the luminescence property trimming of hybrid coordination polymers","CrystEngComm","2015","17","7","1686","","10.1039/C4CE02121E","","","0.71073","MoKα","","0.0384","0.0351","","","0.08","0.0813","","","","","","1.175","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219216","11.8373","0.001","11.5492","0.0009","12.7035","0.001","90","","95.068","0.001","90","","1729.9","0.2","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 Cd3 O14 -","- C13 H12 Cd3 O14 -","- C52 H48 Cd12 O56 -","4","1","","Yang, Gao-Shan; Liu, Chong-Bo; Wen, Hui-Liang; Tan, Sheng-Shui; John Zhang, Z.","A rare I2O3hybrid organic‒inorganic material with high connectivity and quadruple-stranded helices","CrystEngComm","2015","17","7","1518","","10.1039/C4CE02253J","","","0.71073","MoKα","","0.0312","0.0288","","","0.0811","0.0826","","","","","","1.089","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219217","15.655","0.003","16.561","0.003","21.2","0.003","90","","120.567","0.009","90","","4732.6","1.5","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H22 N6 O5 Zn -","- C23 H14 N6 O5 Zn -","- C184 H112 N48 O40 Zn8 -","8","1","","Safarifard, Vahid; Beheshti, Saeideh; Morsali, Ali","An interpenetrating amine-functionalized metal‒organic framework as an efficient and reusable catalyst for the selective synthesis of tetrahydro-chromenes","CrystEngComm","2015","17","7","1680","","10.1039/C4CE02141J","","","0.71073","MoKα","","0.1354","0.0805","","","0.1589","0.1747","","","","","","1.083","","","","has coordinates,has disorder","180523","2020-10-21","18:00:00",""
"7219229","5.244797","0.00003","5.244797","","11.3813","0.00013","90","","90","","90","","313.076","0.004","298","","298","","","","","","","","Scheelite","3","I 41/a :2","-I 4ad","88","Calcium tungstate","","","- Ca O4 W -","- Ca O4 W -","- Ca4 O16 W4 -","4","0.25","","Gonçalves, R. F.; Cavalcante, L. S.; Nogueira, I. C.; Longo, E.; Godinho, M. J.; Sczancoski, J. C.; Mastelaro, V. R.; Pinatti, I. M.; Rosa, I. L. V.; Marques, A. P. A.","Rietveld refinement, cluster modelling, growth mechanism and photoluminescence properties of CaWO4:Eu3+microcrystals","CrystEngComm","2015","17","7","1654","","10.1039/C4CE02279C","powder diffraction","x-ray","1.5405","CuKα","","0.05","0.0342","","","0.0666","","0.02583","","1.95","","","1.95","","","","has coordinates","264550","2021-04-26","17:55:41",""
"7219230","5.24701","0.00005","5.24701","","11.3846","0.00018","90","","90","","90","","313.431","0.006","298","","298","","","","","","","","Scheelite","4","I 41/a :2","-I 4ad","88","Calcium europium tungstate","","","- Ca0.99 Eu0.01 O4 W -","- Ca0.98967 Eu0.01059 O4 W -","- Ca3.95868 Eu0.04236 O16 W4 -","4","0.25","","Gonçalves, R. F.; Cavalcante, L. S.; Nogueira, I. C.; Longo, E.; Godinho, M. J.; Sczancoski, J. C.; Mastelaro, V. R.; Pinatti, I. M.; Rosa, I. L. V.; Marques, A. P. A.","Rietveld refinement, cluster modelling, growth mechanism and photoluminescence properties of CaWO4:Eu3+microcrystals","CrystEngComm","2015","17","7","1654","","10.1039/C4CE02279C","powder diffraction","x-ray","1.5405","CuKα","","0.0548","0.0326","","","0.0729","","0.04681","","2.24","","","2.24","","","","has coordinates","264550","2021-04-26","17:55:41",""
"7219231","5.24643","0.00006","5.24643","","11.38357","0.00021","90","","90","","90","","313.333","0.007","298","","298","","","","","","","","Scheelite","4","I 41/a :2","-I 4ad","88","Calcium europium tungstate","","","- Ca0.98 Eu0.02 O4 W -","- Ca0.9804 Eu0.0196 O4 W -","- Ca3.9216 Eu0.0784 O16 W4 -","4","0.25","","Gonçalves, R. F.; Cavalcante, L. S.; Nogueira, I. C.; Longo, E.; Godinho, M. J.; Sczancoski, J. C.; Mastelaro, V. R.; Pinatti, I. M.; Rosa, I. L. V.; Marques, A. P. A.","Rietveld refinement, cluster modelling, growth mechanism and photoluminescence properties of CaWO4:Eu3+microcrystals","CrystEngComm","2015","17","7","1654","","10.1039/C4CE02279C","powder diffraction","x-ray","1.5405","CuKα","","0.0591","0.0342","","","0.0799","","0.02956","","2.34","","","2.34","","","","has coordinates","264550","2021-04-26","17:55:41",""
"7219232","5.24682","0.00004","5.24682","","11.38143","0.00016","90","","90","","90","","313.321","0.005","298","","298","","","","","","","","Scheelite","4","I 41/a :2","-I 4ad","88","Calcium europium tungstate","","","- Ca0.96 Eu0.04 O4 W -","- Ca0.96289 Eu0.03711 O4 W -","- Ca3.85156 Eu0.14844 O16 W4 -","4","0.25","","Gonçalves, R. F.; Cavalcante, L. S.; Nogueira, I. C.; Longo, E.; Godinho, M. J.; Sczancoski, J. C.; Mastelaro, V. R.; Pinatti, I. M.; Rosa, I. L. V.; Marques, A. P. A.","Rietveld refinement, cluster modelling, growth mechanism and photoluminescence properties of CaWO4:Eu3+microcrystals","CrystEngComm","2015","17","7","1654","","10.1039/C4CE02279C","powder diffraction","x-ray","1.5405","CuKα","","0.0472","0.0322","","","0.0633","","0.0235","","1.97","","","1.97","","","","has coordinates","264550","2021-04-26","17:55:41",""
"7219233","3.64","0.001","11.584","0.003","13.565","0.003","90","","94.64","0.01","90","","570.1","0.2","90","0.2","90","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-ODHPCA","2-oxo-1,2-dihydro-3-pyridinecarboxylic acid","","- C6 H5 N O3 -","- C6 H5 N O3 -","- C24 H20 N4 O12 -","4","1","","Long, Sihui; Zhou, Panpan; Theiss, Kathryn L.; Siegler, Maxime A.; Li, Tonglei","Solid-state identity of 2-hydroxynicotinic acid and its polymorphism","CrystEngComm","2015","17","28","5195","","10.1039/C4CE02290D","","","0.71073","MoKα","","0.0643","0.0451","","","0.1168","0.13","","","","","","1.039","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219234","3.725","0.001","7.368","0.002","20.417","0.004","90","","91.47","0.01","90","","560.2","0.2","90","0.2","90","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-ODHPCA","2-oxo-1,2-dihydro-3-pyridinecarboxylic acid","","- C6 H5 N O3 -","- C6 H5 N O3 -","- C24 H20 N4 O12 -","4","1","","Long, Sihui; Zhou, Panpan; Theiss, Kathryn L.; Siegler, Maxime A.; Li, Tonglei","Solid-state identity of 2-hydroxynicotinic acid and its polymorphism","CrystEngComm","2015","17","28","5195","","10.1039/C4CE02290D","","","0.71073","MoKα","","0.06","0.0457","","","0.1172","0.1274","","","","","","1.047","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219235","9.997","0.002","3.754","0.001","15.362","0.003","90","","106.31","0.03","90","","553.3","0.2","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-ODHPCA","2-oxo-1,2-dihydro-3-pyridinecarboxylic acid","","- C6 H5 N O3 -","- C6 H5 N O3 -","- C24 H20 N4 O12 -","4","1","","Long, Sihui; Zhou, Panpan; Theiss, Kathryn L.; Siegler, Maxime A.; Li, Tonglei","Solid-state identity of 2-hydroxynicotinic acid and its polymorphism","CrystEngComm","2015","17","28","5195","","10.1039/C4CE02290D","","","0.71073","MoKα","","0.0569","0.0427","","","0.1083","0.1187","","","","","","1.094","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219236","9.773","0.002","4.052","0.0008","14.993","0.005","90","","109.95","0.03","90","","558.1","0.3","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-ODHPCA","2-oxo-1,2-dihydro-3-pyridinecarboxylic acid","","- C6 H5 N O3 -","- C6 H5 N O3 -","- C24 H20 N4 O12 -","4","1","","Long, Sihui; Zhou, Panpan; Theiss, Kathryn L.; Siegler, Maxime A.; Li, Tonglei","Solid-state identity of 2-hydroxynicotinic acid and its polymorphism","CrystEngComm","2015","17","28","5195","","10.1039/C4CE02290D","","","0.71073","MoKα","","0.0479","0.0379","","","0.1102","0.1165","","","","","","1.041","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7219237","15.563","0.003","17.642","0.003","17.736","0.005","116.804","0.009","92.853","0.016","107.383","0.012","4049.4","1.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C76 H44 Cu8 N36 -","- C76 H44 Cu8 N36 -","- C152 H88 Cu16 N72 -","2","1","","Pan, Jie; Liu, Cai-Ping; Jiang, Fei-Long; Wu, Ming-Yan; Chen, Lian; Qian, Jin-Jie; Su, Kong-Zhao; Wan, Xiu-Yan; Hong, Mao-Chun","Diverse architectures and luminescence properties of two novel copper(i) coordination polymers assembled from 2,6-bis[3-(pyrid-4-yl)-1,2,4-triazolyl]pyridine ligands","CrystEngComm","2015","17","7","1541","","10.1039/C4CE02351J","","","0.71073","MoKα","","0.0743","0.051","","","0.1245","0.1424","","","","","","1.058","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219238","11.446","0.01","13.434","0.014","15.352","0.015","79.59","0.03","76.45","0.03","79.82","0.04","2235","4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H22 Cu5 N19 O2 -","- C39 H21 Cu5 N19 O2 -","- C78 H42 Cu10 N38 O4 -","2","1","","Pan, Jie; Liu, Cai-Ping; Jiang, Fei-Long; Wu, Ming-Yan; Chen, Lian; Qian, Jin-Jie; Su, Kong-Zhao; Wan, Xiu-Yan; Hong, Mao-Chun","Diverse architectures and luminescence properties of two novel copper(i) coordination polymers assembled from 2,6-bis[3-(pyrid-4-yl)-1,2,4-triazolyl]pyridine ligands","CrystEngComm","2015","17","7","1541","","10.1039/C4CE02351J","","","0.71073","MoKα","","0.1241","0.0827","","","0.2362","0.3222","","","","","","1.061","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219239","5.6775","0.0003","11.7141","0.0007","18.3172","0.0011","90","","98.832","0.001","90","","1203.77","0.12","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","p-cresol","","- C7 H8 O -","- C7 H8 O -","- C56 H64 O8 -","8","2","","Batisai, Eustina; Smith, Vincent J.; Bourne, Susan A.; Báthori, Nikoletta B.","Solid state structures of p-cresol revisited","CrystEngComm","2015","17","28","5134","","10.1039/C4CE02334J","","","0.71073","MoKα","","0.0666","0.0589","","","0.1413","0.1484","","","","","","1.054","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219240","26.2548","0.0016","6.0047","0.0004","27.3511","0.0017","90","","117.786","0.002","90","","3814.8","0.4","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","p-cresol","","- C7 H8 O -","- C7 H8 O -","- C168 H192 O24 -","24","3","","Batisai, Eustina; Smith, Vincent J.; Bourne, Susan A.; Báthori, Nikoletta B.","Solid state structures of p-cresol revisited","CrystEngComm","2015","17","28","5134","","10.1039/C4CE02334J","","","0.71073","MoKα","","0.0491","0.0377","","","0.0936","0.1016","","","","","","1.02","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219261","15.331","0.003","33.859","0.007","10.827","0.002","90","","104.229","0.003","90","","5447.8","1.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H20 N3 Ni O6 -","- C30 H20 N3 Ni O6 -","- C240 H160 N24 Ni8 O48 -","8","1","","Kang, Meng; Yang, Guo-Ping; Hou, Lei; Wu, Wei-Ping; Wu, Yun-Long; Wang, Yao-Yu","Peculiar phenomena of structural transformations triggered from a nickel coordination polymer","CrystEngComm","2015","17","8","1839","","10.1039/C4CE02333A","","","0.71073","MoKα","","0.0691","0.0553","","","0.1783","0.2238","","","","","","1.047","","","","has coordinates,has disorder","180523","2020-10-21","18:00:00",""
"7219262","9.765","","17.154","","14.568","","90","","103.06","","90","","2377.15","","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C25 H20 N2 Ni O7 -","- C25 H20 N2 Ni O7 -","- C100 H80 N8 Ni4 O28 -","4","1","","Kang, Meng; Yang, Guo-Ping; Hou, Lei; Wu, Wei-Ping; Wu, Yun-Long; Wang, Yao-Yu","Peculiar phenomena of structural transformations triggered from a nickel coordination polymer","CrystEngComm","2015","17","8","1839","","10.1039/C4CE02333A","","","0.71073","MoKα","","0.0497","0.0476","","","0.1676","0.1758","","","","","","1.044","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219263","9.406","0.004","9.512","0.003","11.655","0.004","75.58","0.006","80.947","0.006","66.329","0.006","923","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H12 N Ni O5 -","- C20 H12 N Ni O5 -","- C40 H24 N2 Ni2 O10 -","2","1","","Kang, Meng; Yang, Guo-Ping; Hou, Lei; Wu, Wei-Ping; Wu, Yun-Long; Wang, Yao-Yu","Peculiar phenomena of structural transformations triggered from a nickel coordination polymer","CrystEngComm","2015","17","8","1839","","10.1039/C4CE02333A","","","0.71073","MoKα","","0.118","0.0874","","","0.3104","0.3773","","","","","","1.066","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219264","9.883","0.007","18.292","0.013","13.048","0.009","90","","102.748","0.008","90","","2301","3","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C25 H16 N2 Ni O5 -","- C25 H16 N2 Ni O5 -","- C100 H64 N8 Ni4 O20 -","4","1","","Kang, Meng; Yang, Guo-Ping; Hou, Lei; Wu, Wei-Ping; Wu, Yun-Long; Wang, Yao-Yu","Peculiar phenomena of structural transformations triggered from a nickel coordination polymer","CrystEngComm","2015","17","8","1839","","10.1039/C4CE02333A","","","0.71073","MoKα","","0.0766","0.0657","","","0.1676","0.1768","","","","","","1.007","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219265","12.611","0.0003","13.0901","0.0006","23.1334","0.0011","86.751","0.004","89.566","0.003","66.489","0.004","3495.7","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C109 H156 Cl4 Co8 O43 S8 -","- C100 H104 Cl4 Co8 O34 S8 -","- C100 H104 Cl4 Co8 O34 S8 -","1","0.5","","Su, Kongzhao; Jiang, Feilong; Qian, Jinjie; Pang, Jiandong; Hu, Falu; Bawaked, Salem M.; Mokhtar, Mohamed; Al-Thabaiti, Shaeel A.; Hong, Maochun","Bridging different Co4‒calix[4]arene building blocks into grids, cages and 2D polymers with chiral camphoric acid","CrystEngComm","2015","17","8","1750","","10.1039/C4CE02186J","","","1.54184","CuKα","","0.0933","0.0629","","","0.1564","0.1733","","","","","","0.972","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219266","11.7307","0.0006","21.7103","0.0011","27.772","0.0013","90","","89.317","0.005","90","","7072.4","0.6","100","2","100","2","","","","","","","","7","I 1 2 1","I 2y","5","","","","- C121 H168.5 Cl2 Co8 N2.5 O25.5 S8 -","- C116 H112.6 Cl2 Co8 N2 O22 S8 -","- C232 H225.2 Cl4 Co16 N4 O44 S16 -","2","0.5","","Su, Kongzhao; Jiang, Feilong; Qian, Jinjie; Pang, Jiandong; Hu, Falu; Bawaked, Salem M.; Mokhtar, Mohamed; Al-Thabaiti, Shaeel A.; Hong, Maochun","Bridging different Co4‒calix[4]arene building blocks into grids, cages and 2D polymers with chiral camphoric acid","CrystEngComm","2015","17","8","1750","","10.1039/C4CE02186J","","","1.54184","CuKα","","0.0972","0.0771","","","0.2223","0.2319","","","","","","1.093","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219267","15.1811","0.0006","20.4878","0.0009","39.3306","0.0011","90","","90","","90","","12232.9","0.8","100","2","100","2","","","","","","","","7","C m c a","-C 2ac 2","64","","","","- C62.6 H69.9 Cl Co4 N1.3 O12 S4 -","- C62.6 H43.1 Cl Co4 N1.3 O12 S4 -","- C500.8 H344.8 Cl8 Co32 N10.4 O96 S32 -","8","","","Su, Kongzhao; Jiang, Feilong; Qian, Jinjie; Pang, Jiandong; Hu, Falu; Bawaked, Salem M.; Mokhtar, Mohamed; Al-Thabaiti, Shaeel A.; Hong, Maochun","Bridging different Co4‒calix[4]arene building blocks into grids, cages and 2D polymers with chiral camphoric acid","CrystEngComm","2015","17","8","1750","","10.1039/C4CE02186J","","","1.54184","CuKα","","0.1084","0.0869","","","0.2359","0.2581","","","","","","1.065","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219268","3.8298","0.0004","13.6659","0.0013","26.168","0.002","90","","91.048","0.005","90","","1369.3","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N2 O6 -","- C14 H14 N2 O6 -","- C56 H56 N8 O24 -","4","1","","Singh, Udai P.; Tomar, Kapil; Kashyap, Sujata","Supramolecular assemblies of benzene-1,3,5-tricarboxylic acid and 3,5-substituted pyrazoles: formation and structural analysis","CrystEngComm","2015","17","6","1421","","10.1039/C4CE02117G","","","0.71073","MoKα","","0.0629","0.0446","","","0.1262","0.1351","","","","","","1.392","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219269","10.122","0.002","10.636","0.002","14.713","0.003","94.212","0.011","105.65","0.011","104.86","0.011","1456.8","0.5","569","2","569","2","","","","","","","","4","P -1","-P 1","2","","","","- C26.83 H27.49 N2 O12.11 -","- C26.831 H27.493 N2 O12.114 -","- C53.662 H54.986 N4 O24.228 -","2","1","","Singh, Udai P.; Tomar, Kapil; Kashyap, Sujata","Supramolecular assemblies of benzene-1,3,5-tricarboxylic acid and 3,5-substituted pyrazoles: formation and structural analysis","CrystEngComm","2015","17","6","1421","","10.1039/C4CE02117G","","","0.71073","MoKα","","0.1109","0.0641","","","0.1309","0.1429","","","","","","1.681","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219270","10.037","0.003","10.936","0.003","14.655","0.004","94.839","0.015","104.698","0.014","104.297","0.014","1489.1","0.7","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C27.92 H30 N2 O12.06 -","- C27.92 H30 N2 O12.06 -","- C55.84 H60 N4 O24.12 -","2","1","","Singh, Udai P.; Tomar, Kapil; Kashyap, Sujata","Supramolecular assemblies of benzene-1,3,5-tricarboxylic acid and 3,5-substituted pyrazoles: formation and structural analysis","CrystEngComm","2015","17","6","1421","","10.1039/C4CE02117G","","","0.71073","MoKα","","0.0875","0.0569","","","0.1611","0.1837","","","","","","0.973","","","","has coordinates,has disorder","180523","2020-10-21","18:00:00",""
"7219271","9.525","0.003","27.883","0.009","13.755","0.004","90","","107.856","0.016","90","","3477.2","1.9","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 N2 O6 -","- C19 H16 N2 O6 -","- C152 H128 N16 O48 -","8","2","","Singh, Udai P.; Tomar, Kapil; Kashyap, Sujata","Supramolecular assemblies of benzene-1,3,5-tricarboxylic acid and 3,5-substituted pyrazoles: formation and structural analysis","CrystEngComm","2015","17","6","1421","","10.1039/C4CE02117G","","","0.71073","MoKα","","0.1193","0.0594","","","0.1354","0.1713","","","","","","0.94","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219272","10.979","0.002","11.02","0.002","14.01","0.003","89.54","0.03","78.13","0.03","77.87","0.03","1620.7","0.6","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H28 N2 O12 -","- C31 H28 N2 O12 -","- C62 H56 N4 O24 -","2","1","","Singh, Udai P.; Tomar, Kapil; Kashyap, Sujata","Supramolecular assemblies of benzene-1,3,5-tricarboxylic acid and 3,5-substituted pyrazoles: formation and structural analysis","CrystEngComm","2015","17","6","1421","","10.1039/C4CE02117G","","","0.71073","MoKα","","0.0938","0.0531","","","0.1479","0.1968","","","","","","0.966","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219273","7.9394","0.0017","11.221","0.002","19.683","0.004","93.603","0.008","92.516","0.007","95.843","0.007","1738.7","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H34 N4 O7 -","- C40 H34 N4 O7 -","- C80 H68 N8 O14 -","2","1","","Singh, Udai P.; Tomar, Kapil; Kashyap, Sujata","Supramolecular assemblies of benzene-1,3,5-tricarboxylic acid and 3,5-substituted pyrazoles: formation and structural analysis","CrystEngComm","2015","17","6","1421","","10.1039/C4CE02117G","","","0.71073","MoKα","","0.0747","0.0517","","","0.1325","0.1713","","","","","","1.189","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219274","15.056","0.002","13.1093","0.0018","15.2651","0.0019","90","","105.105","0.005","90","","2908.8","0.7","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H30 N4 O13 -","- C29 H30 N4 O13 -","- C116 H120 N16 O52 -","4","1","","Singh, Udai P.; Tomar, Kapil; Kashyap, Sujata","Supramolecular assemblies of benzene-1,3,5-tricarboxylic acid and 3,5-substituted pyrazoles: formation and structural analysis","CrystEngComm","2015","17","6","1421","","10.1039/C4CE02117G","","","0.71073","MoKα","","0.0847","0.0776","","","0.2056","0.2095","","","","","","1.175","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219275","10.6026","0.0009","14.4115","0.0009","15.2947","0.0015","72.165","0.007","85.457","0.007","86.934","0.006","2216.7","0.3","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C40 H43.63 N6 O21.18 S4 -","- C40 H43.65 N6 O21.175 S4 -","- C80 H87.3 N12 O42.35 S8 -","2","1","","Danylyuk, Oksana; Butkiewicz, Helena; Coleman, Anthony W.; Suwinska, Kinga","Solvent control in the formation of supramolecular host‒guest complexes of isoniazid with p-sulfonatocalix[4]arene","CrystEngComm","2015","17","8","1745","","10.1039/C4CE02383H","","","1.54184","CuKα","","0.0567","0.0441","","","0.1105","0.1203","","","","","","0.827","","","","has coordinates,has disorder","180523","2020-10-21","18:00:00",""
"7219276","12.5233","0.0003","12.7554","0.0004","17.6293","0.0005","77.734","0.002","75.621","0.002","66.431","0.003","2479.93","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C41.71 H54.84 N6 O25.15 S4 -","- C41.704 H54.846 N6 O25.148 S4 -","- C83.408 H109.692 N12 O50.296 S8 -","2","1","","Danylyuk, Oksana; Butkiewicz, Helena; Coleman, Anthony W.; Suwinska, Kinga","Solvent control in the formation of supramolecular host‒guest complexes of isoniazid with p-sulfonatocalix[4]arene","CrystEngComm","2015","17","8","1745","","10.1039/C4CE02383H","","","0.71073","MoKα","","0.0448","0.037","","","0.0984","0.1028","","","","","","0.932","","","","has coordinates,has disorder","180523","2020-10-21","18:00:00",""
"7219277","12.4798","0.0005","12.6682","0.0004","17.6904","0.0005","77.545","0.003","75.299","0.003","67.843","0.003","2482.9","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H50.98 N6 O26 S4 -","- C41 H50.986 N6 O26 S4 -","- C82 H101.972 N12 O52 S8 -","2","1","","Danylyuk, Oksana; Butkiewicz, Helena; Coleman, Anthony W.; Suwinska, Kinga","Solvent control in the formation of supramolecular host‒guest complexes of isoniazid with p-sulfonatocalix[4]arene","CrystEngComm","2015","17","8","1745","","10.1039/C4CE02383H","","","0.71073","MoKα","","0.0557","0.045","","","0.1105","0.1176","","","","","","0.863","","","","has coordinates,has disorder","180523","2020-10-21","18:00:00",""
"7219278","20.2344","0.0004","15.2501","0.0003","17.8339","0.0003","90","","107.069","0.002","90","","5260.72","0.18","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43 H59 N6 O27 S4 -","- C43 H59 N6 O27 S4 -","- C172 H236 N24 O108 S16 -","4","0.5","","Danylyuk, Oksana; Butkiewicz, Helena; Coleman, Anthony W.; Suwinska, Kinga","Solvent control in the formation of supramolecular host‒guest complexes of isoniazid with p-sulfonatocalix[4]arene","CrystEngComm","2015","17","8","1745","","10.1039/C4CE02383H","","","1.54184","CuKα","","0.0842","0.0782","","","0.2011","0.2071","","","","","","0.892","","","","has coordinates,has disorder","180523","2020-10-21","18:00:00",""
"7219279","11.213","0.002","22.602","0.004","8.0287","0.0016","90","","98.034","0.004","90","","2014.8","0.6","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Ag Cl N2 O4 S2 -","- C18 H20 Ag Cl N2 O4 S2 -","- C72 H80 Ag4 Cl4 N8 O16 S8 -","4","1","","Asatkar, Ashish K.; Panda, Snigdha; Zade, Sanjio S.","Bis(methyl)(thia/selena)salen Ag(i) complexes: counter-ion induced structural diversity","CrystEngComm","2015","17","8","1856","","10.1039/C4CE02377C","","","0.71073","MoKα","","0.0487","0.0428","","","0.0999","0.1022","","","","","","1.199","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219280","7.7301","0.0006","9.3388","0.0005","14.2614","0.0008","102.835","0.005","102.369","0.006","95.408","0.006","969.57","0.11","99.99","0.1","99.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C36 H40 Ag2 N6 O6 S4 -","- C36 H40 Ag2 N6 O6 S4 -","- C36 H40 Ag2 N6 O6 S4 -","1","0.5","","Asatkar, Ashish K.; Panda, Snigdha; Zade, Sanjio S.","Bis(methyl)(thia/selena)salen Ag(i) complexes: counter-ion induced structural diversity","CrystEngComm","2015","17","8","1856","","10.1039/C4CE02377C","","x-ray","0.71073","MoKα","","0.035","0.0301","","","0.0638","0.067","","","","","","1.042","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219281","11.488","0.004","23.359","0.009","7.938","0.003","90","","95.257","0.006","90","","2121.2","1.4","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Ag F6 N2 P S2 -","- C18 H20 Ag F6 N2 P S2 -","- C72 H80 Ag4 F24 N8 P4 S8 -","4","1","","Asatkar, Ashish K.; Panda, Snigdha; Zade, Sanjio S.","Bis(methyl)(thia/selena)salen Ag(i) complexes: counter-ion induced structural diversity","CrystEngComm","2015","17","8","1856","","10.1039/C4CE02377C","","","0.71073","MoKα","","0.0975","0.0804","","","0.1754","0.1833","","","","","","1.167","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219282","10.488","0.002","23.158","0.005","8.6272","0.0015","90","","102.906","0.004","90","","2042.4","0.7","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Ag Cl N2 O4 Se2 -","- C18 H20 Ag Cl N2 O4 Se2 -","- C72 H80 Ag4 Cl4 N8 O16 Se8 -","4","1","","Asatkar, Ashish K.; Panda, Snigdha; Zade, Sanjio S.","Bis(methyl)(thia/selena)salen Ag(i) complexes: counter-ion induced structural diversity","CrystEngComm","2015","17","8","1856","","10.1039/C4CE02377C","","","0.71073","MoKα","","0.0456","0.0279","","","0.0496","0.055","","","","","","1.038","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219283","8.51314","0.0001","22.6458","0.0003","22.5566","0.0003","90","","98.0482","0.0012","90","","4305.79","0.1","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 Ag2 F12 N4 P2 Se4 -","- C36 H40 Ag2 F12 N4 P2 Se4 -","- C144 H160 Ag8 F48 N16 P8 Se16 -","4","1","","Asatkar, Ashish K.; Panda, Snigdha; Zade, Sanjio S.","Bis(methyl)(thia/selena)salen Ag(i) complexes: counter-ion induced structural diversity","CrystEngComm","2015","17","8","1856","","10.1039/C4CE02377C","","x-ray","0.71073","MoKα","","0.0258","0.0214","","","0.0491","0.0534","","","","","","0.671","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219296","10.61","0.0005","11.804","0.0005","20.698","0.0005","90","","102.821","0.005","90","","2527.6","0.18","293","2","293","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C10 H15 Co2 N15 O44.5 Si W12 -","- C10 H15 Co2 N15 O44.5 Si W12 -","- C20 H30 Co4 N30 O89 Si2 W24 -","2","0.5","","Jiao, Yan-Qing; Qin, Chao; Zang, Hong-Ying; Chen, Wei-Chao; Wang, Chun-Gang; Zheng, Tian-Tian; Shao, Kui-Zhan; Su, Zhong-Min","Assembly of organic‒inorganic hybrid materials constructed from polyoxometalate and metal‒1,2,4-triazole units: synthesis, structures, magnetic, electrochemical and photocatalytic properties","CrystEngComm","2015","17","10","2176","","10.1039/C4CE02007C","","","0.71069","MoKα","","0.0891","0.0481","","","0.0927","0.1058","","","","","","0.967","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219297","13.088","0.0005","13.764","0.0005","15.963","0.0005","99.833","0.005","99.52","0.005","101.798","0.005","2713.05","0.19","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H48 N30 O98 Si2 W24 Zn5 -","- C20 H38 N30 O98 Si2 W24 Zn5 -","- C20 H38 N30 O98 Si2 W24 Zn5 -","1","0.5","","Jiao, Yan-Qing; Qin, Chao; Zang, Hong-Ying; Chen, Wei-Chao; Wang, Chun-Gang; Zheng, Tian-Tian; Shao, Kui-Zhan; Su, Zhong-Min","Assembly of organic‒inorganic hybrid materials constructed from polyoxometalate and metal‒1,2,4-triazole units: synthesis, structures, magnetic, electrochemical and photocatalytic properties","CrystEngComm","2015","17","10","2176","","10.1039/C4CE02007C","","","0.71069","MoKα","","0.1062","0.0574","","","0.1156","0.1401","","","","","","1.003","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219298","11.551","0.0005","12.13","0.0005","14.286","0.0005","94.156","0.005","105.714","0.005","106.035","0.005","1828.27","0.15","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C16 H50 Cl2 Cu6 Ge N24 O55 W12 -","- C16 H20 Cl2 Cu6 Ge N24 O43 W12 -","- C16 H20 Cl2 Cu6 Ge N24 O43 W12 -","1","0.5","","Jiao, Yan-Qing; Qin, Chao; Zang, Hong-Ying; Chen, Wei-Chao; Wang, Chun-Gang; Zheng, Tian-Tian; Shao, Kui-Zhan; Su, Zhong-Min","Assembly of organic‒inorganic hybrid materials constructed from polyoxometalate and metal‒1,2,4-triazole units: synthesis, structures, magnetic, electrochemical and photocatalytic properties","CrystEngComm","2015","17","10","2176","","10.1039/C4CE02007C","","","0.71069","MoKα","","0.1178","0.0685","","","0.1697","0.2041","","","","","","1.034","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219299","11.535","0.0005","12.091","0.0005","14.313","0.0005","94.051","0.005","105.611","0.005","105.77","0.005","1827.83","0.15","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C16 H50 Cl2 Cu6 N24 O55 Si W12 -","- C16 H20 Cl2 Cu6 N24 O46 Si W12 -","- C16 H20 Cl2 Cu6 N24 O46 Si W12 -","1","0.5","","Jiao, Yan-Qing; Qin, Chao; Zang, Hong-Ying; Chen, Wei-Chao; Wang, Chun-Gang; Zheng, Tian-Tian; Shao, Kui-Zhan; Su, Zhong-Min","Assembly of organic‒inorganic hybrid materials constructed from polyoxometalate and metal‒1,2,4-triazole units: synthesis, structures, magnetic, electrochemical and photocatalytic properties","CrystEngComm","2015","17","10","2176","","10.1039/C4CE02007C","","","0.71069","MoKα","","0.0904","0.0688","","","0.1701","0.1862","","","","","","1.029","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219300","19.144","0.0005","23.388","0.0005","22.86","0.0005","90","","102.838","0.005","90","","9979.5","0.4","298","2","298","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C28 H118 Co11 K2 N42 Na2 O169 P4 W36 -","- C28 H38 Co11 K2 N42 Na2 O152 P4 W36 -","- C56 H76 Co22 K4 N84 Na4 O304 P8 W72 -","2","0.5","","Jiao, Yan-Qing; Qin, Chao; Zang, Hong-Ying; Chen, Wei-Chao; Wang, Chun-Gang; Zheng, Tian-Tian; Shao, Kui-Zhan; Su, Zhong-Min","Assembly of organic‒inorganic hybrid materials constructed from polyoxometalate and metal‒1,2,4-triazole units: synthesis, structures, magnetic, electrochemical and photocatalytic properties","CrystEngComm","2015","17","10","2176","","10.1039/C4CE02007C","","","0.71069","MoKα","","0.0955","0.0681","","","0.1558","0.17","","","","","","1.071","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219301","24.871","0.0002","14.2534","0.0001","20.828","0.0002","90","","125.026","0.003","90","","6046.2","0.2","293","2","293","2","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","","- C12 H49 Cu6 N18 O54 P S W9 -","- C12 H13 Cu6 N18 O40.9998 P S W9 -","- C48 H52 Cu24 N72 O163.999 P4 S4 W36 -","4","0.5","","Jiao, Yan-Qing; Qin, Chao; Zang, Hong-Ying; Chen, Wei-Chao; Wang, Chun-Gang; Zheng, Tian-Tian; Shao, Kui-Zhan; Su, Zhong-Min","Assembly of organic‒inorganic hybrid materials constructed from polyoxometalate and metal‒1,2,4-triazole units: synthesis, structures, magnetic, electrochemical and photocatalytic properties","CrystEngComm","2015","17","10","2176","","10.1039/C4CE02007C","","","0.71073","MoKα","","0.0835","0.0536","","","0.143","0.1649","","","","","","1.064","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219307","26.859","0.005","10.5583","0.0019","15.311","0.003","90","","119.508","0.002","90","","3778.8","1.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","4-phenylpyridinium pamoate THF solvate","","","- C49 H42 N2 O7 -","- C49 H42 N2 O7 -","- C196 H168 N8 O28 -","4","0.5","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","A highly selective host based on the pamoate ion","CrystEngComm","2015","17","7","1549","","10.1039/C4CE02346C","","","0.71073","MoKα","","0.0761","0.049","","","0.1066","0.122","","","","","","1.029","","","","has coordinates,has disorder","180524","2020-10-21","18:00:00",""
"7219308","26.804","0.004","10.6999","0.0016","15.194","0.002","90","","119.868","0.002","90","","3778.8","0.9","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","4-phenylpyridinium pamoate 1,4-dioxane solvate","","","- C49 H42 N2 O8 -","- C49 H42 N2 O8 -","- C196 H168 N8 O32 -","4","0.5","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","A highly selective host based on the pamoate ion","CrystEngComm","2015","17","7","1549","","10.1039/C4CE02346C","","","0.71073","MoKα","","0.0891","0.0507","","","0.1062","0.1229","","","","","","1.036","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219309","27.277","0.01","10.398","0.004","15.424","0.006","90","","119.02","0.004","90","","3825","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-phenylpyridinium pamoate DMSO solvate","","- C47 H34 N2 O7 S -","- C47 H34 N2 O7 S -","- C188 H136 N8 O28 S4 -","4","0.5","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","A highly selective host based on the pamoate ion","CrystEngComm","2015","17","7","1549","","10.1039/C4CE02346C","","","0.71073","MoKα","","0.082","0.054","","","0.1454","0.1643","","","","","","1.025","","","","has coordinates,has disorder","180524","2020-10-21","18:00:00",""
"7219310","27.121","0.006","10.418","0.002","15.424","0.003","90","","118.915","0.003","90","","3814.7","1.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","4-phenylpyridinium pamoate acetone solvate","","","- C48 H40 N2 O7 -","- C48 H40 N2 O7 -","- C192 H160 N8 O28 -","4","0.5","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","A highly selective host based on the pamoate ion","CrystEngComm","2015","17","7","1549","","10.1039/C4CE02346C","","","0.71073","MoKα","","0.1206","0.0571","","","0.111","0.1381","","","","","","0.987","","","","has coordinates,has disorder","180524","2020-10-21","18:00:00",""
"7219311","27.355","0.007","10.464","0.003","15.401","0.004","90","","119.512","0.003","90","","3836.4","1.8","101","2","101","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","4-phenylpyridinium pamoate DMF solvate","","","- C47.65 H40.17 N2.88 O7 -","- C47.645 H40.174 N2.881 O7 -","- C190.58 H160.696 N11.524 O28 -","4","0.5","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","A highly selective host based on the pamoate ion","CrystEngComm","2015","17","7","1549","","10.1039/C4CE02346C","","","0.71073","MoKα","","0.0927","0.0667","","","0.1588","0.1716","","","","","","1.061","","","","has coordinates,has disorder","180524","2020-10-21","18:00:00",""
"7219312","7.7618","0.0007","17.3278","0.0016","18.8269","0.0017","90","","99.867","0.001","90","","2494.7","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","4-phenylpyridinium pamoate","","","- C34 H25 N O6 -","- C34 H25 N O6 -","- C136 H100 N4 O24 -","4","1","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","A highly selective host based on the pamoate ion","CrystEngComm","2015","17","7","1549","","10.1039/C4CE02346C","","","0.71073","MoKα","","0.0652","0.0433","","","0.0994","0.1114","","","","","","1.058","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219313","11.0358","0.0019","13.172","0.002","17.721","0.003","90","","101.056","0.002","90","","2528.2","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-phenylpyridinium pamoate","","","- C34 H25 N O6 -","- C34 H25 N O6 -","- C136 H100 N4 O24 -","4","1","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","A highly selective host based on the pamoate ion","CrystEngComm","2015","17","7","1549","","10.1039/C4CE02346C","","","0.71073","MoKα","","0.0584","0.0429","","","0.101","0.1098","","","","","","1.052","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219314","18.999","0.0008","18.999","0.0008","37.095","0.0019","90","","90","","120","","11596","0.9","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C37 H57 Cu N5 O11 -","- C34 H46 Cu N4 O8 -","- C306 H414 Cu9 N36 O72 -","9","0.5","","Zhang, Hong-Mei; Wu, Hua; Liu, Ying-Ying; Yang, Jin; Kang, Da-Wei; Ma, Jian-Fang","Syntheses, structures, gas adsorption and reversible iodine adsorption of two porous Cu(ii) MOFs","CrystEngComm","2015","17","7","1583","","10.1039/C4CE02148G","","","0.71069","MoKα","","0.076","0.0543","","","0.1557","0.165","","","","","","0.966","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219315","9.651","0.001","15.7906","0.0012","12.8901","0.0011","90","","92.055","0.009","90","","1963.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H52 Cu N4 O11 -","- C34 H46 Cu N4 O8 -","- C68 H92 Cu2 N8 O16 -","2","0.5","","Zhang, Hong-Mei; Wu, Hua; Liu, Ying-Ying; Yang, Jin; Kang, Da-Wei; Ma, Jian-Fang","Syntheses, structures, gas adsorption and reversible iodine adsorption of two porous Cu(ii) MOFs","CrystEngComm","2015","17","7","1583","","10.1039/C4CE02148G","","","0.71073","MoKα","","0.1786","0.1154","","","0.2231","0.2404","","","","","","1.186","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219316","7.0051","0.0003","7.0051","0.0003","5.4758","0.0002","90","","90","","120","","232.706","0.016","200","2","200","2","","","","","","","","4","P 31","P 31","144","","","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C6 H15 N3 O6 -","3","1","","Tarasevych, Arkadii V.; Sorochinsky, Alexander E.; Kukhar, Valery P.; Toupet, Loïc; Crassous, Jeanne; Guillemin, Jean-Claude","Attrition-induced spontaneous chiral amplification of the γ polymorphic modification of glycine","CrystEngComm","2015","17","7","1513","","10.1039/C4CE02434F","","x-ray","1.54184","CuKα","","0.0269","0.0269","","","0.0724","0.0724","","","","","","0.668","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219317","7.0045","0.0003","7.0045","0.0003","5.4789","0.0003","90","","90","","120","","232.797","0.019","200","2","200","2","","","","","","","","4","P 31","P 31","144","","","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C6 H15 N3 O6 -","3","1","","Tarasevych, Arkadii V.; Sorochinsky, Alexander E.; Kukhar, Valery P.; Toupet, Loïc; Crassous, Jeanne; Guillemin, Jean-Claude","Attrition-induced spontaneous chiral amplification of the γ polymorphic modification of glycine","CrystEngComm","2015","17","7","1513","","10.1039/C4CE02434F","","x-ray","1.54184","CuKα","","0.0184","0.0181","","","0.0522","0.0526","","","","","","1.229","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219318","7.0047","0.0002","7.0047","0.0002","5.4772","0.0003","90","","90","","120","","232.739","0.016","200","2","200","2","","","","","","","","4","P 31","P 31","144","","","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C6 H15 N3 O6 -","3","1","","Tarasevych, Arkadii V.; Sorochinsky, Alexander E.; Kukhar, Valery P.; Toupet, Loïc; Crassous, Jeanne; Guillemin, Jean-Claude","Attrition-induced spontaneous chiral amplification of the γ polymorphic modification of glycine","CrystEngComm","2015","17","7","1513","","10.1039/C4CE02434F","","x-ray","1.54184","CuKα","","0.077","0.077","","","0.2202","0.2202","","","","","","1.229","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219319","7.0055","0.0003","7.0055","0.0003","5.4774","0.0002","90","","90","","120","","232.8","0.016","200","2","200","2","","","","","","","","4","P 31","P 31","144","","","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C6 H15 N3 O6 -","3","1","","Tarasevych, Arkadii V.; Sorochinsky, Alexander E.; Kukhar, Valery P.; Toupet, Loïc; Crassous, Jeanne; Guillemin, Jean-Claude","Attrition-induced spontaneous chiral amplification of the γ polymorphic modification of glycine","CrystEngComm","2015","17","7","1513","","10.1039/C4CE02434F","","x-ray","1.54184","CuKα","","0.0212","0.021","","","0.0547","0.055","","","","","","1.146","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219321","13.1356","0.0007","13.2969","0.0007","14.4976","0.0007","108.632","0.005","92.585","0.004","97.24","0.004","2370.5","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H64 B Cu4 N30 O42 W12 -","- C60 H56 B Cu4 N30 O42 W12 -","- C60 H56 B Cu4 N30 O42 W12 -","1","0.5","","Lu, Xin-Xin; Luo, Yu-Hui; Xu, Yan; Zhang, Hong","Temperature-dependent assembly of two 3D [BW12O40]5−-based coordination polymers with visible light driven photocatalytic properties","CrystEngComm","2015","17","7","1631","","10.1039/C4CE02211D","","","0.71073","MoKα","","0.0853","0.068","","","0.1397","0.1488","","","","","","1.053","","","","has coordinates,has disorder","180524","2020-10-21","18:00:00",""
"7219322","11.3945","0.0005","14.8843","0.0008","15.869","0.0007","64.69","0.005","89.747","0.004","89.661","0.004","2433","0.2","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C60 H76 B Cl Cu3 N30 O48 W12 -","- C60 H60 B Cl Cu3 N30 O48 W12 -","- C60 H60 B Cl Cu3 N30 O48 W12 -","1","0.5","","Lu, Xin-Xin; Luo, Yu-Hui; Xu, Yan; Zhang, Hong","Temperature-dependent assembly of two 3D [BW12O40]5−-based coordination polymers with visible light driven photocatalytic properties","CrystEngComm","2015","17","7","1631","","10.1039/C4CE02211D","","","0.71073","MoKα","","0.0796","0.0527","","","0.0953","0.1066","","","","","","1.108","","","","has coordinates,has disorder","180524","2020-10-21","18:00:00",""
"7219323","18.1541","0.0012","18.1541","0.0012","27.843","0.004","90","","90","","120","","7946.9","1.4","291","2","291","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C84 H89 Cd6 Cl N12 O50.5 -","- C84 H88.98 Cd6 Cl N12 O50.5 -","- C252 H266.94 Cd18 Cl3 N36 O151.5 -","3","0.166667","","Deng, Dongsheng; Guo, Hui; Kang, Guohui; Ma, Lufang; He, Xu; Ji, Baoming","In situ generation of functionality in a reactive binicotinic-acid-based ligand for the design of multi-functional copper(ii) complexes: syntheses, structures and properties","CrystEngComm","2015","17","8","1871","","10.1039/C4CE02204A","","","0.71073","MoKα","","0.0411","0.0319","","","0.097","0.1037","","","","","","1.075","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219324","18.211","0.003","5.1283","0.001","13.915","0.003","90","","96.803","0.002","90","","1290.4","0.4","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 Cu2 N2 O8 -","- C12 H8 Cu2 N2 O8 -","- C48 H32 Cu8 N8 O32 -","4","1","","Deng, Dongsheng; Guo, Hui; Kang, Guohui; Ma, Lufang; He, Xu; Ji, Baoming","In situ generation of functionality in a reactive binicotinic-acid-based ligand for the design of multi-functional copper(ii) complexes: syntheses, structures and properties","CrystEngComm","2015","17","8","1871","","10.1039/C4CE02204A","","","0.71073","MoKα","","0.0391","0.0296","","","0.0724","0.0777","","","","","","1.022","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219325","6.2937","0.0016","6.8393","0.0017","9.545","0.004","99.689","0.004","90.764","0.004","116.946","0.003","359.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H12 Cu2 N2 O10 -","- C12 H12 Cu2 N2 O10 -","- C12 H12 Cu2 N2 O10 -","1","0.5","","Deng, Dongsheng; Guo, Hui; Kang, Guohui; Ma, Lufang; He, Xu; Ji, Baoming","In situ generation of functionality in a reactive binicotinic-acid-based ligand for the design of multi-functional copper(ii) complexes: syntheses, structures and properties","CrystEngComm","2015","17","8","1871","","10.1039/C4CE02204A","","","0.71073","MoKα","","0.0405","0.0338","","","0.0813","0.0849","","","","","","1.073","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219326","12.1868","0.0013","12.4222","0.0013","15.4307","0.0016","77.399","0.001","88.583","0.001","85.884","0.001","2273.8","0.4","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H48 Cu2 N6 O21 -","- C38 H48 Cu2 N6 O21 -","- C76 H96 Cu4 N12 O42 -","2","1","","Deng, Dongsheng; Guo, Hui; Kang, Guohui; Ma, Lufang; He, Xu; Ji, Baoming","In situ generation of functionality in a reactive binicotinic-acid-based ligand for the design of multi-functional copper(ii) complexes: syntheses, structures and properties","CrystEngComm","2015","17","8","1871","","10.1039/C4CE02204A","","","0.71073","MoKα","","0.0559","0.0395","","","0.0981","0.1078","","","","","","1.03","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219327","4.785","0.007","9.33","0.014","14.53","0.02","89.807","0.016","81.067","0.016","77.496","0.016","625.3","1.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 Cu N2 O8 -","- C12 H10 Cu N2 O8 -","- C24 H20 Cu2 N4 O16 -","2","1","","Deng, Dongsheng; Guo, Hui; Kang, Guohui; Ma, Lufang; He, Xu; Ji, Baoming","In situ generation of functionality in a reactive binicotinic-acid-based ligand for the design of multi-functional copper(ii) complexes: syntheses, structures and properties","CrystEngComm","2015","17","8","1871","","10.1039/C4CE02204A","","","0.71073","MoKα","","0.0324","0.0282","","","0.075","0.0777","","","","","","1.058","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219337","9.9709","0.0008","10.8286","0.0007","16.093","0.0015","99.983","0.003","98.899","0.003","109.619","0.002","1568.9","0.2","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H20 Cl3 F2 O6 P W -","- C32 H20 Cl3 F2 O6 P W -","- C64 H40 Cl6 F4 O12 P2 W2 -","2","1","","Murcia-García, Cristina; Bauzá, Antonio; Schnakenburg, Gregor; Frontera, Antonio; Streubel, Rainer","Surprising behaviour of M‒CO(lone pair)⋯π(arene) interactions in the solid state of fluorinated oxaphosphirane complexes","CrystEngComm","2015","17","8","1769","","10.1039/C5CE00104H","","","0.71073","MoKα","","0.0354","0.026","","","0.0524","0.0563","","","","","","1.058","","","","has coordinates,has disorder","180524","2020-10-21","18:00:00",""
"7219338","10.6618","0.0003","16.0963","0.0004","16.5683","0.0005","76.9465","0.0016","87.9808","0.0016","86.8159","0.0016","2764.87","0.13","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H18 F3 O6 P W -","- C31 H18 F3 O6 P W -","- C124 H72 F12 O24 P4 W4 -","4","2","","Murcia-García, Cristina; Bauzá, Antonio; Schnakenburg, Gregor; Frontera, Antonio; Streubel, Rainer","Surprising behaviour of M‒CO(lone pair)⋯π(arene) interactions in the solid state of fluorinated oxaphosphirane complexes","CrystEngComm","2015","17","8","1769","","10.1039/C5CE00104H","","","0.71073","MoKα","","0.0482","0.0362","","","0.0852","0.0898","","","","","","1.005","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219339","36.0465","0.001","9.5603","0.0003","16.5305","0.0004","90","","93.8297","0.0017","90","","5683.9","0.3","123","","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H16 F5 O6 P W -","- C31 H16 F5 O6 P W -","- C248 H128 F40 O48 P8 W8 -","8","1","","Murcia-García, Cristina; Bauzá, Antonio; Schnakenburg, Gregor; Frontera, Antonio; Streubel, Rainer","Surprising behaviour of M‒CO(lone pair)⋯π(arene) interactions in the solid state of fluorinated oxaphosphirane complexes","CrystEngComm","2015","17","8","1769","","10.1039/C5CE00104H","","","0.71073","MoKα","","0.0581","0.0378","","","0.0857","0.0931","","","","","","1.024","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219340","5.9244","0.0007","13.4171","0.0016","29.058","0.004","90","","90","","90","","2309.8","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H27 N O4 S -","- C25 H27 N O4 S -","- C100 H108 N4 O16 S4 -","4","1","","Wakabayashi, Takashi; Kitamura, Sayaka; Tabata, Hideyuki; Kuroda, Reiko; Imai, Yoshitane","Tunability of guest release properties and crystal structures in a supramolecular benzothiophene heterocyclic host complex","CrystEngComm","2015","17","16","3064","","10.1039/C4CE02496F","","","0.71073","MoKα","","0.1012","0.0882","","","0.2018","0.2097","","","","","","1.117","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219341","15.071","0.005","5.84","0.002","15.398","0.005","90","","118.293","0.006","90","","1193.3","0.7","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H29 N O4 S -","- C26 H29 N O4 S -","- C52 H58 N2 O8 S2 -","2","1","","Wakabayashi, Takashi; Kitamura, Sayaka; Tabata, Hideyuki; Kuroda, Reiko; Imai, Yoshitane","Tunability of guest release properties and crystal structures in a supramolecular benzothiophene heterocyclic host complex","CrystEngComm","2015","17","16","3064","","10.1039/C4CE02496F","","","0.71073","MoKα","","0.1391","0.084","","","0.1765","0.2016","","","","","","1.023","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219342","15.057","0.003","5.826","0.0011","15.588","0.003","90","","117.035","0.003","90","","1218","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H31 N O4 S -","- C27 H31 N O4 S -","- C54 H62 N2 O8 S2 -","2","1","","Wakabayashi, Takashi; Kitamura, Sayaka; Tabata, Hideyuki; Kuroda, Reiko; Imai, Yoshitane","Tunability of guest release properties and crystal structures in a supramolecular benzothiophene heterocyclic host complex","CrystEngComm","2015","17","16","3064","","10.1039/C4CE02496F","","","0.71073","MoKα","","0.0793","0.0644","","","0.148","0.1558","","","","","","1.097","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219343","15.102","0.003","5.848","0.0009","15.421","0.003","90","","113.81","0.003","90","","1246","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H33 N O4 S -","- C28 H33 N O4 S -","- C56 H66 N2 O8 S2 -","2","1","","Wakabayashi, Takashi; Kitamura, Sayaka; Tabata, Hideyuki; Kuroda, Reiko; Imai, Yoshitane","Tunability of guest release properties and crystal structures in a supramolecular benzothiophene heterocyclic host complex","CrystEngComm","2015","17","16","3064","","10.1039/C4CE02496F","","","0.71073","MoKα","","0.0373","0.0339","","","0.083","0.0862","","","","","","1.027","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219344","17.707","0.0002","14.7731","0.0002","37.6605","0.0004","90","","101.434","0.001","90","","9656","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C176 H212 N2 O54 P4 S8 -","- C176 H158 N2 O53.9998 P4 S8 -","- C352 H316 N4 O108 P8 S16 -","2","0.5","","Ling, Irene; Sobolev, Alexandre N.; Raston, Colin L.","Controlling the organization of phosphonium cations relative to p-sulfonatocalix[4]arene anions","CrystEngComm","2015","17","7","1526","","10.1039/C4CE02086C","","","1.54178","CuKα","","0.1338","0.1197","","","0.2734","0.2808","","","","","","1.032","","","","has coordinates,has disorder","180524","2020-10-21","18:00:00",""
"7219345","6.7039","0.0002","14.9481","0.0004","9.6177","0.0002","90","","98.9365","0.0018","90","","952.1","0.04","296","","296","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1,4-Dioxane-2,5-dione","Glycolide","","- C4 H4 O4 -","- C4 H4 O4 -","- C32 H32 O32 -","8","2","","Hutchison, Ian B.; Delori, Amit; Wang, Xiao; Kamenev, Konstantin V.; Urquhart, Andrew J.; Oswald, Iain D. H.","Polymorphism of a polymer precursor: metastable glycolide polymorph recovered via large scale high-pressure experiments","CrystEngComm","2015","17","8","1778","","10.1039/C5CE00119F","","","0.71073","MoKα","","0.04","0.035","","0.0865","0.077","0.0851","","","","","","1.0572","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219346","5.2399","0.0002","7.4388","0.0003","11.7763","0.0004","90","","90","","90","","459.02","0.03","293","","293","","","","","","","","","3","P b c a","-P 2ac 2ab","61","1,4-Dioxane-2,5-dione","Glycolide","","- C4 H4 O4 -","- C4 H4 O4 -","- C16 H16 O16 -","4","0.5","","Hutchison, Ian B.; Delori, Amit; Wang, Xiao; Kamenev, Konstantin V.; Urquhart, Andrew J.; Oswald, Iain D. H.","Polymorphism of a polymer precursor: metastable glycolide polymorph recovered via large scale high-pressure experiments","CrystEngComm","2015","17","8","1778","","10.1039/C5CE00119F","","","0.71073","MoKα","","0.0424","0.0417","","0.0929","0.0921","0.0929","","","","","","0.9594","","","","has coordinates,has disorder","180524","2020-10-21","18:00:00",""
"7219347","13.1493","0.0004","16.19","0.0005","19.3364","0.0006","66.7678","0.001","70.8605","0.0009","87.8194","0.0009","3553.78","0.19","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C77 H70 Cl Ir2 N8 O19 Pb -","- C77 H70 Cl Ir2 N8 O19 Pb -","- C154 H140 Cl2 Ir4 N16 O38 Pb2 -","2","1","","Chen, Yi-Ting; Lin, Chun-Yen; Lee, Gene-Hsiang; Ho, Mei-Lin","Four new lead(ii)‒iridium(iii) heterobimetallic coordination frameworks: synthesis, structures, luminescence and oxygen-sensing properties","CrystEngComm","2015","17","10","2129","","10.1039/C4CE02457E","","","0.71073","MoKα","","0.0971","0.0672","","","0.1801","0.2108","","","","","","1.062","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219348","29.4296","0.0007","8.7352","0.0002","30.6568","0.0007","90","","99.2586","0.0007","90","","7778.4","0.3","150","2","150","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C148 H142 Cl Ir4 N20 O37 Pb2 -","- C148 H142 Cl Ir4 N20 O37 Pb2 -","- C296 H284 Cl2 Ir8 N40 O74 Pb4 -","2","0.5","","Chen, Yi-Ting; Lin, Chun-Yen; Lee, Gene-Hsiang; Ho, Mei-Lin","Four new lead(ii)‒iridium(iii) heterobimetallic coordination frameworks: synthesis, structures, luminescence and oxygen-sensing properties","CrystEngComm","2015","17","10","2129","","10.1039/C4CE02457E","","","0.71073","MoKα","","0.0539","0.0429","","","0.1263","0.1368","","","","","","1.092","","","","has coordinates,has disorder","180524","2020-10-21","18:00:00",""
"7219349","13.0965","0.0002","16.9698","0.0003","19.3066","0.0003","67.1073","0.0009","71.2175","0.001","88.2966","0.001","3719.82","0.11","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C79 H73 Ir2 N9 O15 Pb -","- C79 H73 Ir2 N9 O15 Pb -","- C158 H146 Ir4 N18 O30 Pb2 -","2","1","","Chen, Yi-Ting; Lin, Chun-Yen; Lee, Gene-Hsiang; Ho, Mei-Lin","Four new lead(ii)‒iridium(iii) heterobimetallic coordination frameworks: synthesis, structures, luminescence and oxygen-sensing properties","CrystEngComm","2015","17","10","2129","","10.1039/C4CE02457E","","","0.71073","MoKα","","0.0891","0.0478","","","0.1181","0.135","","","","","","1.02","","","","has coordinates,has disorder","180524","2020-10-21","18:00:00",""
"7219350","8.7126","0.0002","18.2978","0.0004","22.6191","0.0005","87.0367","0.0009","83.5709","0.0009","79.003","0.001","3515.79","0.14","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C142 H122 I4 Ir4 N18 O28 Pb4 -","- C142 H118 I4 Ir4 N18 O28 Pb4 -","- C142 H118 I4 Ir4 N18 O28 Pb4 -","1","0.5","","Chen, Yi-Ting; Lin, Chun-Yen; Lee, Gene-Hsiang; Ho, Mei-Lin","Four new lead(ii)‒iridium(iii) heterobimetallic coordination frameworks: synthesis, structures, luminescence and oxygen-sensing properties","CrystEngComm","2015","17","10","2129","","10.1039/C4CE02457E","","","0.71073","MoKα","","0.0849","0.0449","","","0.0925","0.1119","","","","","","1.056","","","","has coordinates,has disorder","180524","2020-10-21","18:00:00",""
"7219372","19.637","0.002","9.4274","0.001","5.7239","0.0005","90","","93.912","0.003","90","","1057.17","0.18","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 K2 N2 O6 -","- C20 H24 K2 N2 O6 -","- C40 H48 K4 N4 O12 -","2","0.5","","Hawes, Chris S.; White, Keith F.; Abrahams, Brendan F.; Knowles, Gregory P.; Chaffee, Alan L.; Batten, Stuart R.; Turner, David R.","Structural chemistry and selective CO2uptake of a piperazine-derived porous coordination polymer","CrystEngComm","2015","17","10","2196","","10.1039/C4CE02547D","","","0.71073","MoKα","","0.1078","0.051","","","0.0923","0.1115","","","","","","1.014","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219373","6.0077","0.0009","16.128","0.003","9.1598","0.0017","90","","104.63","0.005","90","","858.7","0.3","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N2 O4 -","- C20 H22 N2 O4 -","- C40 H44 N4 O8 -","2","0.5","","Hawes, Chris S.; White, Keith F.; Abrahams, Brendan F.; Knowles, Gregory P.; Chaffee, Alan L.; Batten, Stuart R.; Turner, David R.","Structural chemistry and selective CO2uptake of a piperazine-derived porous coordination polymer","CrystEngComm","2015","17","10","2196","","10.1039/C4CE02547D","","","0.71073","MoKα","","0.1174","0.0595","","","0.1259","0.1533","","","","","","0.997","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219374","17.666","0.007","24.302","0.006","6.013","0.0012","90","","100.76","0.04","90","","2536.1","1.3","100","2","100","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C46 H56 N6 O12 Zn3 -","- C46 H56 N6 O12 Zn3 -","- C92 H112 N12 O24 Zn6 -","2","0.25","","Hawes, Chris S.; White, Keith F.; Abrahams, Brendan F.; Knowles, Gregory P.; Chaffee, Alan L.; Batten, Stuart R.; Turner, David R.","Structural chemistry and selective CO2uptake of a piperazine-derived porous coordination polymer","CrystEngComm","2015","17","10","2196","","10.1039/C4CE02547D","","","0.7109","Synchrotron","","0.0778","0.0639","","","0.1661","0.1758","","","","","","1","","","","has coordinates,has disorder","180524","2020-10-21","18:00:00",""
"7219375","11.99","0.003","18.125","0.004","12.239","0.003","90","","105.173","0.004","90","","2567","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 N6 O9 Zn2 -","- C24 H17 N6 O9 Zn2 -","- C96 H68 N24 O36 Zn8 -","4","1","","Xue, Zhenzhen; Sheng, Tianlu; Wang, Yanlong; Hu, Shengmin; Wen, Yuehong; Wang, Yong; Li, Haoran; Fu, Ruibiao; Wu, Xintao","A series of d10coordination polymers constructed with a rigid tripodal imidazole ligand and varied polycarboxylates: syntheses, structures and luminescence properties","CrystEngComm","2015","17","9","2004","","10.1039/C4CE02551B","","","0.71073","MoKα","","0.0656","0.0591","","","0.1593","0.1685","","","","","","1.013","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219376","34.838","0.009","13.738","0.003","25.355","0.006","90","","90.058","0.004","90","","12135","5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C47 H51 Cd2 N17 O14 -","- C47 H49 Cd2 N17 O14 -","- C376 H392 Cd16 N136 O112 -","8","1","","Xue, Zhenzhen; Sheng, Tianlu; Wang, Yanlong; Hu, Shengmin; Wen, Yuehong; Wang, Yong; Li, Haoran; Fu, Ruibiao; Wu, Xintao","A series of d10coordination polymers constructed with a rigid tripodal imidazole ligand and varied polycarboxylates: syntheses, structures and luminescence properties","CrystEngComm","2015","17","9","2004","","10.1039/C4CE02551B","","","0.71073","MoKα","","0.0926","0.0769","","","0.2052","0.2191","","","","","","1.017","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219377","21.139","0.004","13.704","0.002","21.81","0.004","90","","107.006","0.003","90","","6041.8","1.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H60 Cd2 N18 O16 -","- C50 H56 Cd2 N18 O16 -","- C200 H224 Cd8 N72 O64 -","4","1","","Xue, Zhenzhen; Sheng, Tianlu; Wang, Yanlong; Hu, Shengmin; Wen, Yuehong; Wang, Yong; Li, Haoran; Fu, Ruibiao; Wu, Xintao","A series of d10coordination polymers constructed with a rigid tripodal imidazole ligand and varied polycarboxylates: syntheses, structures and luminescence properties","CrystEngComm","2015","17","9","2004","","10.1039/C4CE02551B","","","0.71073","MoKα","","0.0919","0.0804","","","0.2084","0.2204","","","","","","1.036","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219378","11.328","0.004","24.951","0.007","13.624","0.005","90","","114.073","0.004","90","","3516","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H34 Cd N8 O7 -","- C33 H32 Cd N8 O7 -","- C132 H128 Cd4 N32 O28 -","4","1","","Xue, Zhenzhen; Sheng, Tianlu; Wang, Yanlong; Hu, Shengmin; Wen, Yuehong; Wang, Yong; Li, Haoran; Fu, Ruibiao; Wu, Xintao","A series of d10coordination polymers constructed with a rigid tripodal imidazole ligand and varied polycarboxylates: syntheses, structures and luminescence properties","CrystEngComm","2015","17","9","2004","","10.1039/C4CE02551B","","","0.71073","MoKα","","0.0796","0.0573","","","0.1418","0.1606","","","","","","1.013","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219379","19.5639","0.0004","19.5639","0.0004","26.8732","0.0009","90","","90","","120","","8907.6","0.4","293","2","293","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C69 H57.5 Cd3 N26.5 O14 -","- C69 H57.5 Cd3 N26.5 O14 -","- C276 H230 Cd12 N106 O56 -","4","0.333333","","Xue, Zhenzhen; Sheng, Tianlu; Wang, Yanlong; Hu, Shengmin; Wen, Yuehong; Wang, Yong; Li, Haoran; Fu, Ruibiao; Wu, Xintao","A series of d10coordination polymers constructed with a rigid tripodal imidazole ligand and varied polycarboxylates: syntheses, structures and luminescence properties","CrystEngComm","2015","17","9","2004","","10.1039/C4CE02551B","","","0.71073","MoKα","","0.0685","0.0626","","","0.1587","0.163","","","","","","1.016","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219391","23.89","0.0003","13.3719","0.0001","23.1855","0.0003","90","","101.232","0.001","90","","7264.85","0.14","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C66 H60 Cl N12 Ni2 O24 Ta -","- C66 H60 Cl N12 Ni2 O24 Ta -","- C264 H240 Cl4 N48 Ni8 O96 Ta4 -","4","1","","Dubraja, Lidija Androš; Matković-Čalogović, Dubravka; Planinić, Pavica","Crystal disassembly and reassembly of heterometallic NiII‒TaVoxalate compounds","CrystEngComm","2015","17","9","2021","","10.1039/C4CE02516D","","","1.54184","CuKα","","0.0517","0.05","","","0.1406","0.1419","","","","","","1.094","","","","has coordinates,has disorder","180524","2020-10-21","18:00:00",""
"7219392","14.9775","0.0002","21.8439","0.0002","22.3074","0.0003","90","","90","","90","","7298.25","0.15","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C66 H58 Cl N12 Ni2 O25 Ta -","- C66 H58 Cl N12 Ni2 O25 Ta -","- C264 H232 Cl4 N48 Ni8 O100 Ta4 -","4","1","","Dubraja, Lidija Androš; Matković-Čalogović, Dubravka; Planinić, Pavica","Crystal disassembly and reassembly of heterometallic NiII‒TaVoxalate compounds","CrystEngComm","2015","17","9","2021","","10.1039/C4CE02516D","","","0.71073","MoKα","","0.047","0.036","","","0.0774","0.0793","","","","","","0.965","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219393","9.2921","0.0003","12.8702","0.0003","18.9812","0.0005","84.66","0.002","75.969","0.002","85.056","0.002","2187.94","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H34 N10 Ni2 O14 -","- C44 H34 N10 Ni2 O14 -","- C88 H68 N20 Ni4 O28 -","2","1","","Dubraja, Lidija Androš; Matković-Čalogović, Dubravka; Planinić, Pavica","Crystal disassembly and reassembly of heterometallic NiII‒TaVoxalate compounds","CrystEngComm","2015","17","9","2021","","10.1039/C4CE02516D","","","1.54184","CuKα","","0.0509","0.0432","","","0.1218","0.1352","","","","","","1.059","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219407","7.3985","0.0005","7.516","0.0005","13.5827","0.0009","100.737","0.001","93.491","0.001","103.171","0.001","718.32","0.08","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H16 N4 O2 -","- C16 H16 N4 O2 -","- C32 H32 N8 O4 -","2","1","","Qian, Hui-Fen; Wang, Yin-Ge; Geng, Jiao; Huang, Wei","A rare case of a dye co-crystal showing better dyeing performance","CrystEngComm","2015","17","10","2083","","10.1039/C4CE02424A","","","0.71073","MoKα","","0.052","0.0437","","","0.1327","0.1384","","","","","","1.074","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219408","8.0716","0.0009","9.9236","0.0012","11.1322","0.0013","65.872","0.001","80.149","0.002","74.023","0.002","780.6","0.16","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H18 N4 O2 -","- C17 H18 N4 O2 -","- C34 H36 N8 O4 -","2","1","","Qian, Hui-Fen; Wang, Yin-Ge; Geng, Jiao; Huang, Wei","A rare case of a dye co-crystal showing better dyeing performance","CrystEngComm","2015","17","10","2083","","10.1039/C4CE02424A","","","0.71073","MoKα","","0.0645","0.0575","","","0.1665","0.1754","","","","","","1.089","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219409","7.811","0.002","12.55","0.004","16.146","0.005","94.579","0.005","91.539","0.004","98.774","0.005","1558","0.8","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H34 N8 O4 -","- C33 H34 N8 O4 -","- C66 H68 N16 O8 -","2","1","","Qian, Hui-Fen; Wang, Yin-Ge; Geng, Jiao; Huang, Wei","A rare case of a dye co-crystal showing better dyeing performance","CrystEngComm","2015","17","10","2083","","10.1039/C4CE02424A","","","0.71073","MoKα","","0.097","0.0645","","","0.1692","0.1986","","","","","","0.903","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219427","9.8829","0.0004","13.787","0.007","6.0816","0.0003","90","","90","","90","","828.7","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","beta-Alanine","3-Aminopropanoic acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C24 H56 N8 O16 -","8","1","","Zakharov, Boris A.; Tumanov, Nikolay A.; Boldyreva, Elena V.","β-Alanine under pressure: towards understanding the nature of phase transitions","CrystEngComm","2015","17","10","2074","","10.1039/C4CE02550D","","","0.71442","","","0.0405","0.0358","","","0.0833","0.0876","","","","","","1.097","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219428","9.431","0.0008","12.826","0.016","5.6952","0.0005","90","","90","","90","","688.9","0.9","293","2","293","2","","","6300000","50000","","","","4","P b c a","-P 2ac 2ab","61","beta-Alanine","3-Aminopropanoic acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C24 H56 N8 O16 -","8","1","","Zakharov, Boris A.; Tumanov, Nikolay A.; Boldyreva, Elena V.","β-Alanine under pressure: towards understanding the nature of phase transitions","CrystEngComm","2015","17","10","2074","","10.1039/C4CE02550D","","","0.71442","","","0.0594","0.055","","","0.1494","0.1561","","","","","","1.195","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219429","5.2593","0.0014","13.1","0.04","4.7408","0.001","90","","94.32","0.03","90","","325.7","1","293","2","293","2","","","6200000","50000","","","","4","P 1 21/c 1","-P 2ybc","14","beta-Alanine","3-Aminopropanoic acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Zakharov, Boris A.; Tumanov, Nikolay A.; Boldyreva, Elena V.","β-Alanine under pressure: towards understanding the nature of phase transitions","CrystEngComm","2015","17","10","2074","","10.1039/C4CE02550D","","","0.71442","","","0.1544","0.1358","","","0.4099","0.4384","","","","","","2.091","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219430","9.1235","0.0014","12.78","0.02","5.7014","0.0011","90","","90","","90","","664.8","1.1","293","2","293","2","","","8030000","50000","","","","4","P b c a","-P 2ac 2ab","61","beta-Alanine","3-Aminopropanoic acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C24 H56 N8 O16 -","8","1","","Zakharov, Boris A.; Tumanov, Nikolay A.; Boldyreva, Elena V.","β-Alanine under pressure: towards understanding the nature of phase transitions","CrystEngComm","2015","17","10","2074","","10.1039/C4CE02550D","","","0.71442","","","0.1083","0.0812","","","0.206","0.2498","","","","","","1.138","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219431","9.671","0.002","16.721","0.003","9.76","0.002","90","","94.855","0.004","90","","1572.6","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Coordination polymer","","","- C14 H14 Cu N4 O4 S -","- C14 H14 Cu N4 O4 S -","- C56 H56 Cu4 N16 O16 S4 -","4","1","","Singh, Namita; Vishnoi, Pratap; Anantharaman, Ganapathi","Coordination polymers based on copper carboxylates and angular 2,5-bis(imidazol-1-yl)thiophene (thim2) ligand: sequential structural transformations","CrystEngComm","2015","17","10","2153","","10.1039/C4CE02428A","","","0.71073","MoKα","","0.0854","0.0535","","","0.1265","0.1625","","","","","","1.056","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7219432","9.927","0.005","9.945","0.005","11.752","0.005","94.242","0.005","104.517","0.005","98.603","0.005","1103","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","coordination polymer","","","- C24 H18 Cu N4 O4 S -","- C24 H18 Cu N4 O4 S -","- C48 H36 Cu2 N8 O8 S2 -","2","1","","Singh, Namita; Vishnoi, Pratap; Anantharaman, Ganapathi","Coordination polymers based on copper carboxylates and angular 2,5-bis(imidazol-1-yl)thiophene (thim2) ligand: sequential structural transformations","CrystEngComm","2015","17","10","2153","","10.1039/C4CE02428A","","","0.71069","MoKα","","0.0856","0.0574","","","0.1414","0.1978","","","","","","1.057","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7219433","10.07","0.005","10.681","0.006","18.871","0.012","85.22","0.02","74.62","0.02","71.56","0.02","1856.5","1.8","150","2","150","2","","","","","","","","6","P -1","-P 1","2","Coordination Polymer","","","- C38 H28 Cu2 N4 O8 S -","- C38 H28 Cu2 N4 O8 S -","- C76 H56 Cu4 N8 O16 S2 -","2","1","","Singh, Namita; Vishnoi, Pratap; Anantharaman, Ganapathi","Coordination polymers based on copper carboxylates and angular 2,5-bis(imidazol-1-yl)thiophene (thim2) ligand: sequential structural transformations","CrystEngComm","2015","17","10","2153","","10.1039/C4CE02428A","","","0.71075","MoKα","","0.1053","0.0948","","","0.1834","0.1894","","","","","","1.187","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219434","16.724","0.003","15.975","0.003","18.456","0.004","90","","91.46","0.03","90","","4929.2","1.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Coordination Polymer","","","- C48 H44 Cu2 N8 O13 S2 -","- C48 H36 Cu2 N8 O9 S2 -","- C192 H144 Cu8 N32 O36 S8 -","4","1","","Singh, Namita; Vishnoi, Pratap; Anantharaman, Ganapathi","Coordination polymers based on copper carboxylates and angular 2,5-bis(imidazol-1-yl)thiophene (thim2) ligand: sequential structural transformations","CrystEngComm","2015","17","10","2153","","10.1039/C4CE02428A","","","0.71073","MoKα","","0.1611","0.0734","","","0.1926","0.228","","","","","","0.871","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7219455","9.6655","0.0019","11.002","0.002","15.304","0.003","108.95","0.03","95.14","0.03","109.32","0.03","1416.7","0.7","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H28 O22 U2 -","- C16 H10 O13 U2 -","- C32 H20 O26 U4 -","2","1","","Zhai, Xiang-Sheng; Zhu, Wen-Gang; Xu, Wei; Huang, Ya-Jing; Zheng, Yue-Qing","A family of 3D UO22±-5-X-1,3-dicarboxylate (X = ‒H, ‒NO2, ‒NH2, ‒OH) hybrid materials: structural relevance with variation of substituent groups and photochemical properties","CrystEngComm","2015","17","11","2376","","10.1039/C4CE02307B","","","0.71073","MoKα","","0.0775","0.0521","","","0.1405","0.1778","","","","","","1.108","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219456","10.663","0.002","11.09","0.002","14.718","0.003","106.88","0.03","95.76","0.03","112.99","0.03","1487.3","0.8","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H26 N3 O18 U2 -","- C22 H26 N3 O18 U2 -","- C44 H52 N6 O36 U4 -","2","1","","Zhai, Xiang-Sheng; Zhu, Wen-Gang; Xu, Wei; Huang, Ya-Jing; Zheng, Yue-Qing","A family of 3D UO22±-5-X-1,3-dicarboxylate (X = ‒H, ‒NO2, ‒NH2, ‒OH) hybrid materials: structural relevance with variation of substituent groups and photochemical properties","CrystEngComm","2015","17","11","2376","","10.1039/C4CE02307B","","","0.71073","MoKα","","0.0461","0.0379","","","0.0934","0.0988","","","","","","1.073","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219457","9.6416","0.0019","10.973","0.002","15.997","0.003","109.52","0.03","91.56","0.03","109.61","0.03","1484","0.7","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H28 N3 O13 U2 -","- C22 H28 N3 O13 U2 -","- C44 H56 N6 O26 U4 -","2","1","","Zhai, Xiang-Sheng; Zhu, Wen-Gang; Xu, Wei; Huang, Ya-Jing; Zheng, Yue-Qing","A family of 3D UO22±-5-X-1,3-dicarboxylate (X = ‒H, ‒NO2, ‒NH2, ‒OH) hybrid materials: structural relevance with variation of substituent groups and photochemical properties","CrystEngComm","2015","17","11","2376","","10.1039/C4CE02307B","","","0.71073","MoKα","","0.1189","0.0761","","","0.1603","0.198","","","","","","1.023","","","","has coordinates,has disorder","180525","2020-10-21","18:00:00",""
"7219458","19.703","0.004","9.5197","0.0019","20.127","0.004","90","","106.26","0.03","90","","3624.2","1.4","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H42 O31 U2 -","- C16 H10 O15 U2 -","- C64 H40 O60 U8 -","4","0.5","","Zhai, Xiang-Sheng; Zhu, Wen-Gang; Xu, Wei; Huang, Ya-Jing; Zheng, Yue-Qing","A family of 3D UO22±-5-X-1,3-dicarboxylate (X = ‒H, ‒NO2, ‒NH2, ‒OH) hybrid materials: structural relevance with variation of substituent groups and photochemical properties","CrystEngComm","2015","17","11","2376","","10.1039/C4CE02307B","","","0.71073","MoKα","","0.0874","0.0576","","","0.1451","0.1917","","","","","","1.153","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219459","16.7454","0.0009","8.159","0.0005","20.5264","0.0011","90","","96.749","0.001","90","","2785","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H26 Ag2 N4 O4 -","- C31 H26 Ag2 N4 O4 -","- C124 H104 Ag8 N16 O16 -","4","1","","Hao, Jin-ming; Yu, Bao-yi; Van Hecke, Kristof; Cui, Guang-hua","A series of d10metal coordination polymers based on a flexible bis(2-methylbenzimidazole) ligand and different carboxylates: synthesis, structures, photoluminescence and catalytic properties","CrystEngComm","2015","17","11","2279","","10.1039/C4CE02090A","","","0.71073","MoKα","","0.0319","0.0265","","","0.0661","0.0701","","","","","","1.027","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219460","10.931","0.002","11.727","0.002","11.928","0.002","98.983","0.003","101.005","0.002","115.316","0.003","1307.1","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H25 Cd N5 O7 -","- C27 H25 Cd N5 O7 -","- C54 H50 Cd2 N10 O14 -","2","1","","Hao, Jin-ming; Yu, Bao-yi; Van Hecke, Kristof; Cui, Guang-hua","A series of d10metal coordination polymers based on a flexible bis(2-methylbenzimidazole) ligand and different carboxylates: synthesis, structures, photoluminescence and catalytic properties","CrystEngComm","2015","17","11","2279","","10.1039/C4CE02090A","","","0.71073","MoKα","","0.1119","0.0624","","","0.1268","0.1644","","","","","","0.974","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219461","9.5556","0.0004","12.1747","0.0002","12.9664","0.0003","84.089","0.002","89.206","0.003","88.552","0.002","1499.87","0.08","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H22 Br4 Cd N4 O5 -","- C27 H22 Br4 Cd N4 O5 -","- C54 H44 Br8 Cd2 N8 O10 -","2","1","","Hao, Jin-ming; Yu, Bao-yi; Van Hecke, Kristof; Cui, Guang-hua","A series of d10metal coordination polymers based on a flexible bis(2-methylbenzimidazole) ligand and different carboxylates: synthesis, structures, photoluminescence and catalytic properties","CrystEngComm","2015","17","11","2279","","10.1039/C4CE02090A","","","0.71073","MoKα","","0.062","0.0541","","","0.1431","0.1476","","","","","","1.127","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219462","9.3237","0.0004","11.4454","0.0005","13.6744","0.0006","66.862","0.004","78.859","0.003","85.704","0.004","1316.57","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H24 N4 O9 Zn2 -","- C29 H24 N4 O9 Zn2 -","- C58 H48 N8 O18 Zn4 -","2","1","","Hao, Jin-ming; Yu, Bao-yi; Van Hecke, Kristof; Cui, Guang-hua","A series of d10metal coordination polymers based on a flexible bis(2-methylbenzimidazole) ligand and different carboxylates: synthesis, structures, photoluminescence and catalytic properties","CrystEngComm","2015","17","11","2279","","10.1039/C4CE02090A","","","0.71073","MoKα","","0.0327","0.026","","","0.0614","0.0645","","","","","","1.035","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219463","13.8342","0.0009","20.8728","0.0013","14.2205","0.0009","90","","112.779","0.001","90","","3786","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H35 N4 O8 Zn2 -","- C40 H33 N4 O7 Zn2 -","- C160 H132 N16 O28 Zn8 -","4","1","","Hao, Jin-ming; Yu, Bao-yi; Van Hecke, Kristof; Cui, Guang-hua","A series of d10metal coordination polymers based on a flexible bis(2-methylbenzimidazole) ligand and different carboxylates: synthesis, structures, photoluminescence and catalytic properties","CrystEngComm","2015","17","11","2279","","10.1039/C4CE02090A","","","0.71073","MoKα","","0.0619","0.0387","","","0.0874","0.0943","","","","","","1.003","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219464","11.7886","0.0005","9.8051","0.0004","12.5957","0.0008","90","","93.596","0.005","90","","1453.05","0.13","296","2","296","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C27 H22 Br4 N4 O5 Zn -","- C27 H22 Br4 N4 O5 Zn -","- C54 H44 Br8 N8 O10 Zn2 -","2","0.5","","Hao, Jin-ming; Yu, Bao-yi; Van Hecke, Kristof; Cui, Guang-hua","A series of d10metal coordination polymers based on a flexible bis(2-methylbenzimidazole) ligand and different carboxylates: synthesis, structures, photoluminescence and catalytic properties","CrystEngComm","2015","17","11","2279","","10.1039/C4CE02090A","","","0.71073","MoKα","","0.0418","0.0321","","","0.0716","0.0771","","","","","","1.045","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219465","33.175","0.004","33.175","0.004","33.175","0.004","90","","90","","90","","36512","8","223","2","223","2","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- C26 H15 Cu O5 -","- C26 H15 Cu O5 -","- C624 H360 Cu24 O120 -","24","0.5","","Duan, Jingui; Li, QianQian; Lu, Zhiyong","A new mesoporous coordination polymer: synthesis, structure, and gas adsorption studies","CrystEngComm","2015","17","10","2087","","10.1039/C5CE00015G","","","0.71073","MoKα","","0.1142","0.1052","","","0.3358","0.3554","","","","","","1.159","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7219466","15.3327","0.0004","9.5934","0.0002","15.4363","0.0004","90","","97.199","0.002","90","","2252.67","0.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H20 Be2 N2 O16 P4 -","- C12 H20 Be2 N2 O16 P4 -","- C48 H80 Be8 N8 O64 P16 -","4","1","","Wang, Kangcai; Li, Jing; Xu, Dingguo; Luo, Daibing; Lin, Zhien","Open-framework beryllium phosphates with a zeolitic CrB4topology and their structural analogues containing 12-ring channels","CrystEngComm","2015","17","10","2162","","10.1039/C4CE02226B","","","1.54184","CuKα","","0.0902","0.0888","","","0.25","0.2515","","","","","","1.066","","","","has coordinates,has disorder","180525","2020-10-21","18:00:00",""
"7219467","22.8218","0.0003","21.5546","0.0003","9.492","0.0001","90","","91.3","0.001","90","","4668.05","0.1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H24 Be2 N2 O16 P4 -","- C14 H21 Be2 N2 O16 P4 -","- C112 H168 Be16 N16 O128 P32 -","8","1","","Wang, Kangcai; Li, Jing; Xu, Dingguo; Luo, Daibing; Lin, Zhien","Open-framework beryllium phosphates with a zeolitic CrB4topology and their structural analogues containing 12-ring channels","CrystEngComm","2015","17","10","2162","","10.1039/C4CE02226B","","","1.54184","CuKα","","0.068","0.0631","","","0.1747","0.1812","","","","","","1.043","","","","has coordinates,has disorder","180525","2020-10-21","18:00:00",""
"7219468","14.6958","0.0004","11.6451","0.0004","20.5912","0.0006","90","","93.811","0.002","90","","3516.06","0.19","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C20 H27 Be5 N4 O28 P7 -","- C20 H27 Be5 N4 O28 P7 -","- C80 H108 Be20 N16 O112 P28 -","4","1","","Wang, Kangcai; Li, Jing; Xu, Dingguo; Luo, Daibing; Lin, Zhien","Open-framework beryllium phosphates with a zeolitic CrB4topology and their structural analogues containing 12-ring channels","CrystEngComm","2015","17","10","2162","","10.1039/C4CE02226B","","","0.71073","MoKα","","0.0472","0.0415","","","0.0926","0.0955","","","","","","1.069","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219469","4.8173","0.0003","12.0871","0.0007","12.6085","0.0009","62.332","0.007","79.518","0.005","84.052","0.005","639.2","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C5 H9 Be3 N O13 P3 -","- C5 H6 Be3 N O13 P3 -","- C10 H12 Be6 N2 O26 P6 -","2","1","","Wang, Kangcai; Li, Jing; Xu, Dingguo; Luo, Daibing; Lin, Zhien","Open-framework beryllium phosphates with a zeolitic CrB4topology and their structural analogues containing 12-ring channels","CrystEngComm","2015","17","10","2162","","10.1039/C4CE02226B","","","1.54184","CuKα","","0.0804","0.0765","","","0.2028","0.2092","","","","","","1.076","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219470","10.42385","0.00017","10.42385","0.00017","21.7533","0.0002","90","","90","","120","","2046.97","0.05","295","","295","","","","","","","","","3","P 31","P 31","144","TPymT","2,4,6-tris(2-pyrimidyl)-1,3,5-triazine","","- C15 H9 N9 -","- C15 H9 N9 -","- C90 H54 N54 -","6","2","","Safin, Damir A.; Tumanov, Nikolay A.; Leitch, Alicea A.; Brusso, Jaclyn L.; Filinchuk, Yaroslav; Murugesu, Muralee","Elucidating the elusive crystal structure of 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine","CrystEngComm","2015","17","10","2190","","10.1039/C5CE00097A","powder diffraction","","1.5418","CuKα","","","","","","","","","13.4694","4.3639","","","","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219471","5.55795","0.00014","7.25941","0.00012","7.726","0.0002","84.431","0.002","71.913","0.003","80.163","0.002","291.642","0.013","295","","295","","","","","","","","","3","P -1","-P 1","2","pyrimidine-2-carboximidamide","pyrimidine-2-carboximidamide","","- C5 H6 N4 -","- C5 H6 N4 -","- C10 H12 N8 -","2","1","","Safin, Damir A.; Tumanov, Nikolay A.; Leitch, Alicea A.; Brusso, Jaclyn L.; Filinchuk, Yaroslav; Murugesu, Muralee","Elucidating the elusive crystal structure of 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine","CrystEngComm","2015","17","10","2190","","10.1039/C5CE00097A","powder diffraction","","0.68884","synchrotron","","","","","","","","","16.3048","93.25","","","","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219472","3.97105","0.00006","8.1277","0.00014","16.0709","0.0003","90","","90","","90","","518.696","0.015","295","","295","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","2-cyanopyrimidine","2-cyanopyrimidine","","- C5 H3 N3 -","- C5 H3 N3 -","- C20 H12 N12 -","4","1","","Safin, Damir A.; Tumanov, Nikolay A.; Leitch, Alicea A.; Brusso, Jaclyn L.; Filinchuk, Yaroslav; Murugesu, Muralee","Elucidating the elusive crystal structure of 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine","CrystEngComm","2015","17","10","2190","","10.1039/C5CE00097A","powder diffraction","","0.68884","synchrotron","","","","","","","","","11.1463","29.33","","","","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219473","10.4339","0.001","10.4339","0.001","21.467","0.002","90","","90","","120","","2023.9","0.3","150","2","150","2","","","","","","","","3","P 31 2 1","P 31 2""","152","TPymT","2,4,6-tris(2-pyrimidyl)-1,3,5-triazine","","- C15 H9 N9 -","- C15 H9 N9 -","- C90 H54 N54 -","6","1","","Safin, Damir A.; Tumanov, Nikolay A.; Leitch, Alicea A.; Brusso, Jaclyn L.; Filinchuk, Yaroslav; Murugesu, Muralee","Elucidating the elusive crystal structure of 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine","CrystEngComm","2015","17","10","2190","","10.1039/C5CE00097A","","","0.71073","MoKα","","0.1748","0.1119","","","0.2604","0.3366","","","","","","1.015","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219474","40.11","0.005","40.11","0.005","40.11","0.005","90","","90","","90","","64529","14","298","2","298","2","","","","","","","","6","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C132 H79 N3 O66 Pb13 S24 -","- C120 H24 O57 Pb13 S24 -","- C1920 H384 O912 Pb208 S384 -","16","0.0833333","","Shen, Yu; Zhu, Hai-Bin; Hu, Jun; Zhao, Yue","Construction of a metal‒organic framework by octuple intercatenation of discrete icosahedral coordination cages","CrystEngComm","2015","17","10","2080","","10.1039/C4CE02207F","","","0.71073","MoKα","","0.0764","0.0504","","","0.1403","0.1463","","","","","","1.087","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7219475","10.0139","0.0007","11.6798","0.0009","17.7036","0.0013","82.36","0.001","87.038","0.001","69.44","0.001","1921.5","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H39 Cl3 N4 O8 -","- C41 H39 Cl3 N4 O8 -","- C82 H78 Cl6 N8 O16 -","2","1","","Wang, Jungang; Gao, Yang; Xiang, Jiachen; Wang, Miao; Wu, Anxin","X-ray studies of conformation: observation of conformational polymorphism of a glycoluril clip","CrystEngComm","2015","17","11","2245","","10.1039/C5CE00066A","","","0.71073","MoKα","","0.0766","0.0479","","","0.1163","0.1347","","","","","","1.006","","","","has coordinates,has disorder","180525","2020-10-21","18:00:00",""
"7219476","11.2616","0.0007","12.427","0.0008","15.9572","0.001","68.17","0.001","74.522","0.001","65.9","0.001","1874.8","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H40 Cl2 N4 O8 -","- C41 H40 Cl2 N4 O8 -","- C82 H80 Cl4 N8 O16 -","2","1","","Wang, Jungang; Gao, Yang; Xiang, Jiachen; Wang, Miao; Wu, Anxin","X-ray studies of conformation: observation of conformational polymorphism of a glycoluril clip","CrystEngComm","2015","17","11","2245","","10.1039/C5CE00066A","","","0.71073","MoKα","","0.0722","0.0566","","","0.1803","0.2031","","","","","","1.07","","","","has coordinates,has disorder","180525","2020-10-21","18:00:00",""
"7219477","8.7063","0.001","11.0579","0.0013","20.271","0.002","99.383","0.002","98.246","0.002","95.472","0.002","1891.4","0.4","220","2","220","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H42 N4 O9 -","- C41 H42 N4 O9 -","- C82 H84 N8 O18 -","2","1","","Wang, Jungang; Gao, Yang; Xiang, Jiachen; Wang, Miao; Wu, Anxin","X-ray studies of conformation: observation of conformational polymorphism of a glycoluril clip","CrystEngComm","2015","17","11","2245","","10.1039/C5CE00066A","","","0.71073","MoKα","","0.0857","0.0632","","","0.19","0.2025","","","","","","1.096","","","","has coordinates,has disorder","180525","2020-10-21","18:00:00",""
"7219478","9.9019","0.0012","14.5729","0.0018","27.372","0.003","94.424","0.002","97.048","0.002","100.801","0.002","3830.1","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H44 N4 O9.5 -","- C43 H44 N4 O9.5 -","- C172 H176 N16 O38 -","4","2","","Wang, Jungang; Gao, Yang; Xiang, Jiachen; Wang, Miao; Wu, Anxin","X-ray studies of conformation: observation of conformational polymorphism of a glycoluril clip","CrystEngComm","2015","17","11","2245","","10.1039/C5CE00066A","","","0.71073","MoKα","","0.0692","0.0547","","","0.1576","0.1771","","","","","","1.076","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219479","13.3706","0.0017","24.587","0.003","13.486","0.0017","90","","117.75","0.002","90","","3923.5","0.9","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H42 N4 O9 -","- C42 H42 N4 O9 -","- C168 H168 N16 O36 -","4","1","","Wang, Jungang; Gao, Yang; Xiang, Jiachen; Wang, Miao; Wu, Anxin","X-ray studies of conformation: observation of conformational polymorphism of a glycoluril clip","CrystEngComm","2015","17","11","2245","","10.1039/C5CE00066A","","","0.71073","MoKα","","0.1003","0.0668","","","0.1783","0.211","","","","","","1.017","","","","has coordinates,has disorder","180525","2020-10-21","18:00:00",""
"7219480","8.3355","0.0007","10.7168","0.0009","19.0538","0.0018","90","","95.094","0.001","90","","1695.4","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H24 N2 O10 Zn2 -","- C38 H24 N2 O10 Zn2 -","- C76 H48 N4 O20 Zn4 -","2","0.5","","Cao, Xinyu; Li, Ling; Li, Changxia; Lv, Lei; Huang, Rudan","Functionalities and architectures of coordination polymers with multi-dimensionalities via transition metal‒dicarboxylate ligands","CrystEngComm","2015","17","11","2398","","10.1039/C5CE00085H","","","0.71073","MoKα","","0.0869","0.0425","","","0.0729","0.0846","","","","","","0.879","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219481","12.4477","0.001","11.2748","0.0007","13.6629","0.0016","90","","107.632","0.002","90","","1827.4","0.3","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C38 H34 N2 Ni O14 -","- C38 H34 N2 Ni O14 -","- C76 H68 N4 Ni2 O28 -","2","0.5","","Cao, Xinyu; Li, Ling; Li, Changxia; Lv, Lei; Huang, Rudan","Functionalities and architectures of coordination polymers with multi-dimensionalities via transition metal‒dicarboxylate ligands","CrystEngComm","2015","17","11","2398","","10.1039/C5CE00085H","","","0.71073","MoKα","","0.1014","0.0535","","","0.094","0.1207","","","","","","1.042","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219497","7.48732","0.00015","9.95589","0.00019","33.0328","0.0008","90","","90","","90","","2462.36","0.09","100","2","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H30 F6 N2 O2 -","- C27 H30 F6 N2 O2 -","- C108 H120 F24 N8 O8 -","4","1","","Łaszcz, M.; Trzcińska, K.; Witkowska, A.; Lipiec-Abramska, E.; Szczepek, W. J.","Phase transition studies of dutasteride crystalline forms","CrystEngComm","2015","17","11","2346","","10.1039/C5CE00036J","","","1.54184","CuKα","","0.0465","0.0367","","","0.0824","0.0869","","","","","","1.04","","","","has coordinates,has disorder","180525","2020-10-21","18:00:00",""
"7219498","11.7715","0.0005","13.0448","0.0007","16.0517","0.0006","90","","101.761","0.004","90","","2413.1","0.19","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H48 Cl4 N6 O7 Zn2 -","- C46 H32 Cl4 N6 O7 Zn2 -","- C92 H64 Cl8 N12 O14 Zn4 -","2","0.5","","Cai, Li-Xuan; Chen, Cheng; Tan, Bin; Zhang, Ya-Jun; Yang, Xiao-Dong; Zhang, Jie","A photoactive porous metal‒organic complex: synthesis, crystal morphology and the influence of photocycloaddition on fluorescence properties and adsorption behavior","CrystEngComm","2015","17","11","2353","","10.1039/C4CE02507E","","","1.54184","CuKα","","0.0658","0.0568","","","0.1688","0.1801","","","","","","1.059","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219499","52.623","0.003","52.623","0.003","52.623","0.003","90","","90","","90","","145723","14","173","2","173","2","","","","","","","","5","I a -3","-I 2b 2c 3","206","","","","- C58 H45.33 N2 O36.17 Zn8 -","- C58 H21 N2 O36.1667 Zn8 -","- C2784 H1008 N96 O1736 Zn384 -","48","1","","Bai, Shizhe; Zhang, Weiquan; Ling, Yun; Yang, Feilong; Deng, Mingli; Chen, Zhenxia; Weng, Linhong; Zhou, Yaming","Predicting and creating 7-connected Zn4O vertices for the construction of an exceptional metal‒organic framework with nanoscale cages","CrystEngComm","2015","17","9","1923","","10.1039/C4CE02415J","","","0.71073","MoKα","","0.1423","0.086","","","0.2331","0.3012","","","","","","1.096","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219500","12.0295","0.0004","12.0295","0.0004","8.0824","0.0004","90","","90","","90","","1169.59","0.08","100","2","100","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C5 H11 N O -","- C5 H11 N O -","- C40 H88 N8 O8 -","8","1","","Döring, Cindy; Näther, Christian; Jess, Inke; Ibrom, Kerstin; Jones, Peter G.","Two polymorphs of 4-hydroxypiperidine with different NH configurations","CrystEngComm","2015","17","28","5206","","10.1039/C4CE02477J","","","0.71073","MoKα","","0.0344","0.0306","","","0.0696","0.0716","","","","","","1.068","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219501","21.3459","0.0007","18.6413","0.0006","5.93539","0.00019","90","","90","","90","","2361.78","0.13","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C5 H11 N O -","- C5 H11 N O -","- C80 H176 N16 O16 -","16","1","","Döring, Cindy; Näther, Christian; Jess, Inke; Ibrom, Kerstin; Jones, Peter G.","Two polymorphs of 4-hydroxypiperidine with different NH configurations","CrystEngComm","2015","17","28","5206","","10.1039/C4CE02477J","","","0.71073","MoKα","","0.0285","0.0271","","","0.0686","0.0694","","","","","","1.062","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219502","5.38","0.0002","20.4924","0.0011","6.4026","0.0003","90","","101.745","0.005","90","","691.1","0.06","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H12 Cl N O -","- C5 H12 Cl N O -","- C20 H48 Cl4 N4 O4 -","4","1","","Döring, Cindy; Näther, Christian; Jess, Inke; Ibrom, Kerstin; Jones, Peter G.","Two polymorphs of 4-hydroxypiperidine with different NH configurations","CrystEngComm","2015","17","28","5206","","10.1039/C4CE02477J","","","0.71073","MoKα","","0.0387","0.03","","","0.064","0.0687","","","","","","1.048","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219503","11.5417","0.0012","5.0515","0.0005","21.0649","0.0015","90","","90","","90","","1228.1","0.2","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C11 H22 N2 O2 -","- C11 H22 N2 O2 -","- C44 H88 N8 O8 -","4","1","","Döring, Cindy; Näther, Christian; Jess, Inke; Ibrom, Kerstin; Jones, Peter G.","Two polymorphs of 4-hydroxypiperidine with different NH configurations","CrystEngComm","2015","17","28","5206","","10.1039/C4CE02477J","","","0.71073","MoKα","","0.0509","0.0399","","","0.0825","0.0877","","","","","","1.044","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219504","10.4947","0.001","11.9","0.0011","16.836","0.002","76.943","0.01","81.326","0.01","68.873","0.009","1905","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H22 N2 O4 -","- C11 H22 N2 O4 -","- C66 H132 N12 O24 -","6","3","","Döring, Cindy; Näther, Christian; Jess, Inke; Ibrom, Kerstin; Jones, Peter G.","Two polymorphs of 4-hydroxypiperidine with different NH configurations","CrystEngComm","2015","17","28","5206","","10.1039/C4CE02477J","","","0.71073","MoKα","","0.1017","0.054","","","0.1059","0.1144","","","","","","0.905","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219505","16.646","0.006","18.345","0.007","16.309","0.006","90","","108.893","0.004","90","","4712","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H42 N4 O20 Zn3 -","- C44 H42 N4 O20 Zn3 -","- C176 H168 N16 O80 Zn12 -","4","0.5","","He, Hongjie; Zhang, Lina; Deng, Mingli; Chen, Zhenxia; Ling, Yun; Chen, Jinxi; Zhou, Yaming","Acid-induced Zn(ii)-based metal‒organic frameworks for encapsulation and sensitization of lanthanide cations","CrystEngComm","2015","17","11","2294","","10.1039/C5CE00083A","","","0.71073","MoKα","","0.0687","0.0473","","","0.1199","0.1342","","","","","","0.954","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219506","12.145","0.011","30.72","0.03","22.75","0.02","90","","94","0.012","90","","8467","14","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H36 N2 O25 Zn5 -","- C52 H34 N2 O25 Zn5 -","- C208 H136 N8 O100 Zn20 -","4","0.5","","He, Hongjie; Zhang, Lina; Deng, Mingli; Chen, Zhenxia; Ling, Yun; Chen, Jinxi; Zhou, Yaming","Acid-induced Zn(ii)-based metal‒organic frameworks for encapsulation and sensitization of lanthanide cations","CrystEngComm","2015","17","11","2294","","10.1039/C5CE00083A","","","0.71073","MoKα","","0.0792","0.0619","","","0.1885","0.2021","","","","","","0.934","","","","has coordinates,has disorder","180526","2020-10-21","18:00:00",""
"7219515","7.1603","0.0002","7.2376","0.0002","7.495","0.0003","63.2313","0.0014","69.7053","0.0014","64.984","0.0015","308.331","0.018","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","3-Chloroisonicotinic acid","","- C6 H4 Cl N O2 -","- C6 H4 Cl N O2 -","- C12 H8 Cl2 N2 O4 -","2","1","","Long, Sihui; Zhou, Panpan; Parkin, Sean; Li, Tonglei","Polymorphism and solid-to-solid phase transitions of a simple organic molecule, 3-chloroisonicotinic acid","CrystEngComm","2015","17","11","2389","","10.1039/C4CE02563F","","","0.71073","MoKα","","0.0359","0.0313","","","0.0815","0.0848","","","","","","1.018","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219516","7.3267","0.0002","6.6413","0.0002","12.6512","0.0004","90","","92.2254","0.0015","90","","615.13","0.03","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-Chloroisonicotinic acid","","- C6 H4 Cl N O2 -","- C6 H4 Cl N O2 -","- C24 H16 Cl4 N4 O8 -","4","1","","Long, Sihui; Zhou, Panpan; Parkin, Sean; Li, Tonglei","Polymorphism and solid-to-solid phase transitions of a simple organic molecule, 3-chloroisonicotinic acid","CrystEngComm","2015","17","11","2389","","10.1039/C4CE02563F","","","0.71073","MoKα","","0.0284","0.0254","","","0.0743","0.0764","","","","","","1.039","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219517","3.6779","0.0001","6.9371","0.0001","7.0372","0.0002","61.6975","0.0014","80.0002","0.0012","89.5122","0.0012","155.117","0.007","90","0.2","90","0.2","","","","","","","","5","P 1","P 1","1","","","","- C6 H4 Cl N O2 -","- C6 H4 Cl N O2 -","- C6 H4 Cl N O2 -","1","1","","Long, Sihui; Zhou, Panpan; Parkin, Sean; Li, Tonglei","Polymorphism and solid-to-solid phase transitions of a simple organic molecule, 3-chloroisonicotinic acid","CrystEngComm","2015","17","11","2389","","10.1039/C4CE02563F","","","0.71073","MoKα","","0.0165","0.0164","","","0.0461","0.0461","","","","","","1.099","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219543","10.337","0.002","11.655","0.002","13.504","0.003","90","","108.17","0.03","90","","1545.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C21 H45.5 Cl2 N2 O14.5 -","- C21 H46 Cl2 N2 O14.5 -","- C42 H92 Cl4 N4 O29 -","2","0.5","","Chen, Cheng; Wang, Fang-Fang; Zhang, Yi; Ye, Qiong; Ye, Heng-Yun; Fu, Da-Wei","A high-temperature supramolecular-based switchable dielectric material with electrical bistability between high and low dielectric states","CrystEngComm","2015","17","12","2479","","10.1039/C4CE02028F","","","0.71073","MoKα","","0.1361","0.0916","","","0.2373","0.2601","","","","","","1.117","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219544","10.432","0.013","11.734","0.014","13.639","0.016","90","","108.53","0.02","90","","1583","3","368","2","368","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C21 H46 Cl2 N2 O14.5 -","- C21 H45.5 Cl2 N2 O14.5 -","- C42 H91 Cl4 N4 O29 -","2","0.5","","Chen, Cheng; Wang, Fang-Fang; Zhang, Yi; Ye, Qiong; Ye, Heng-Yun; Fu, Da-Wei","A high-temperature supramolecular-based switchable dielectric material with electrical bistability between high and low dielectric states","CrystEngComm","2015","17","12","2479","","10.1039/C4CE02028F","","","0.71073","MoKα","","0.1254","0.0894","","","0.2177","0.2532","","","","","","1.017","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219545","15.0933","0.0002","15.0933","0.0002","10.0587","0.0002","90","","90","","90","","2291.45","0.06","293","2","293","2","","","","","","","","6","P -4 21 c","P -4 2n","114","none","","","- C16 H18 Ba Li2 N6 O10 -","- C16 H18 Ba Li2 N6 O10 -","- C64 H72 Ba4 Li8 N24 O40 -","4","0.5","","Song, Ying; Lin, Chen-Sheng; Zhang, Ming-Jian; Wei, Qi; Feng, Mei-Ling; Huang, Xiao-Ying","Assembly of noncentrosymmetric coordination polymers by the integration of acentric Ba(ii)/Sr(ii) and Li(i) coordination polyhedra","CrystEngComm","2015","17","18","3418","","10.1039/C5CE00305A","","","0.71073","MoKα","","0.04","0.0252","","","0.047","0.0542","","","","","","1.008","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219546","14.7246","0.0002","14.7246","0.0002","10.2236","0.0003","90","","90","","90","","2216.62","0.08","293","2","293","2","","","","","","","","6","P -4 21 c","P -4 2n","114","none","","","- C16 H18 Li2 N6 O10 Sr -","- C16 H18 Li2 N6 O10 Sr -","- C64 H72 Li8 N24 O40 Sr4 -","4","0.5","","Song, Ying; Lin, Chen-Sheng; Zhang, Ming-Jian; Wei, Qi; Feng, Mei-Ling; Huang, Xiao-Ying","Assembly of noncentrosymmetric coordination polymers by the integration of acentric Ba(ii)/Sr(ii) and Li(i) coordination polyhedra","CrystEngComm","2015","17","18","3418","","10.1039/C5CE00305A","","","0.71073","MoKα","","0.0373","0.0272","","","0.0531","0.057","","","","","","1.003","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219547","10.8783","0.0003","28.3945","0.0007","9.2141","0.0002","90","","90","","90","","2846.09","0.12","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","none","","","- C14 H13.33333 Ba Li2 N5.33333 O9.33333 -","- C14 H13.3333 Ba Li2 N5.33333 O9.33333 -","- C84 H80 Ba6 Li12 N32 O56 -","6","1.5","","Song, Ying; Lin, Chen-Sheng; Zhang, Ming-Jian; Wei, Qi; Feng, Mei-Ling; Huang, Xiao-Ying","Assembly of noncentrosymmetric coordination polymers by the integration of acentric Ba(ii)/Sr(ii) and Li(i) coordination polyhedra","CrystEngComm","2015","17","18","3418","","10.1039/C5CE00305A","","","0.71073","MoKα","","0.0398","0.0326","","","0.0585","0.0622","","","","","","1.006","","","","has coordinates","211691","2020-10-21","18:00:00",""
"7219555","8.8372","0.0002","9.5138","0.0002","18.1928","0.0004","81.938","0.001","77.483","0.001","68.091","0.001","1382.39","0.05","120","2","120","2","","","","","","","","6","P 1","P 1","1","","","","- C38 H30 Cr Na O13 S24 -","- C38 H30 Cr Na O13 S24 -","- C38 H30 Cr Na O13 S24 -","1","1","","Martin, Lee; Akutsu, Hiroki; Horton, Peter N.; Hursthouse, Michael B.","Chirality in charge-transfer salts of BEDT-TTF of tris(oxalato)chromate(III)","CrystEngComm","2015","17","14","2783","","10.1039/C5CE00121H","","","0.71073","MoKα","","0.0372","0.0317","","","0.0673","0.0698","","","","","","1.023","","","","has coordinates,has disorder","180526","2020-10-21","18:00:00",""
"7219556","5.3536","0.0005","10.1811","0.0009","17.2836","0.0015","95.641","0.004","97.596","0.005","90.246","0.006","929.12","0.14","120","2","120","2","","","","","","","","7","P 1","P 1","1","","","","- C13 H10.33 Cr0.33 N0.33 Na0.33 O4.33 S8 -","- C12.9997 H10.3331 Cr0.3333 N0.3333 Na0.3333 O4.3329 S8 -","- C25.9994 H20.6662 Cr0.6666 N0.6666 Na0.6666 O8.6658 S16 -","2","2","","Martin, Lee; Akutsu, Hiroki; Horton, Peter N.; Hursthouse, Michael B.","Chirality in charge-transfer salts of BEDT-TTF of tris(oxalato)chromate(III)","CrystEngComm","2015","17","14","2783","","10.1039/C5CE00121H","","","0.71073","MoKα","","0.2085","0.1145","","","0.2357","0.2806","","","","","","1.587","","","","has coordinates,has disorder","180526","2020-10-21","18:00:00",""
"7219557","10.4088","0.0004","14.7524","0.0008","18.2275","0.0008","90","","94.741","0.003","90","","2789.3","0.2","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C38 H27 Cr N Na O12 S24 -","- C38 H27 Cr N Na O12 S24 -","- C76 H54 Cr2 N2 Na2 O24 S48 -","2","1","","Martin, Lee; Akutsu, Hiroki; Horton, Peter N.; Hursthouse, Michael B.","Chirality in charge-transfer salts of BEDT-TTF of tris(oxalato)chromate(III)","CrystEngComm","2015","17","14","2783","","10.1039/C5CE00121H","","","0.71073","MoKα","","0.1754","0.099","","","0.2","0.2413","","","","","","1.068","","","","has coordinates,has disorder","180526","2020-10-21","18:00:00",""
"7219563","7.516","0.004","13.068","0.006","14.645","0.007","90","","99.759","0.011","90","","1417.6","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Cu4 N6 O18 -","- C24 H24 Cu4 N6 O18 -","- C48 H48 Cu8 N12 O36 -","2","0.5","","Peng, Yan-Fen; Zhao, Shan; Li, Ke; Liu, Lu; Li, Bao-Long; Wu, Bing","Construction of Cu(ii), Zn(ii) and Cd(ii) metal‒organic frameworks of bis(1,2,4-triazol-4-yl)ethane and benzenetricarboxylate: syntheses, structures and photocatalytic properties","CrystEngComm","2015","17","12","2544","","10.1039/C4CE02465F","","","0.7107","MoKα","","0.0905","0.0645","","","0.1527","0.1762","","","","","","1.074","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219564","6.895","0.003","8.881","0.004","13.473","0.006","98.359","0.011","99.914","0.012","94.388","0.009","799.7","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H32 N6 O22 Zn4 -","- C24 H32 N6 O22 Zn4 -","- C24 H32 N6 O22 Zn4 -","1","0.5","","Peng, Yan-Fen; Zhao, Shan; Li, Ke; Liu, Lu; Li, Bao-Long; Wu, Bing","Construction of Cu(ii), Zn(ii) and Cd(ii) metal‒organic frameworks of bis(1,2,4-triazol-4-yl)ethane and benzenetricarboxylate: syntheses, structures and photocatalytic properties","CrystEngComm","2015","17","12","2544","","10.1039/C4CE02465F","","","0.7107","MoKα","","0.0996","0.071","","","0.1699","0.1924","","","","","","1.073","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219565","8.4824","0.0017","11.011","0.002","18.583","0.004","78.75","0.03","81.03","0.03","69.88","0.03","1591","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H26 Cd3 N6 O18 -","- C24 H26 Cd3 N6 O18 -","- C48 H52 Cd6 N12 O36 -","2","1","","Peng, Yan-Fen; Zhao, Shan; Li, Ke; Liu, Lu; Li, Bao-Long; Wu, Bing","Construction of Cu(ii), Zn(ii) and Cd(ii) metal‒organic frameworks of bis(1,2,4-triazol-4-yl)ethane and benzenetricarboxylate: syntheses, structures and photocatalytic properties","CrystEngComm","2015","17","12","2544","","10.1039/C4CE02465F","","","0.71075","MoKα","","0.0584","0.0434","","","0.1023","0.1102","","","","","","1.063","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219566","7.052","0.002","8.324","0.003","13.41","0.004","90","","102.299","0.006","90","","769.1","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","LIGAND ZWITTER ION","","","- C7 H8 N2 O4 -","- C7 H8 N2 O4 -","- C28 H32 N8 O16 -","4","1","","Tripathi, Sarita; Anantharaman, Ganapathi","Architectures varying from discrete molecular units to 2-dimensional coordination polymers and photoluminescence behavior of zinc and cadmium comprising an anionic zwitterion of rigid 4,5-dicarboxy-1,3-dimethyl-1H-imidazolium iodide","CrystEngComm","2015","17","13","2754","","10.1039/C4CE02215G","","","0.71073","MoKα","","0.0602","0.0486","","","0.1357","0.1669","","","","","","1.165","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219567","8.491","0.0017","8.041","0.0016","18.847","0.004","90","","101.16","0.03","90","","1262.5","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Zn monomer","","","- C7 H13 Cl N2 O7 Zn -","- C7 H13 Cl N2 O7 Zn -","- C28 H52 Cl4 N8 O28 Zn4 -","4","1","","Tripathi, Sarita; Anantharaman, Ganapathi","Architectures varying from discrete molecular units to 2-dimensional coordination polymers and photoluminescence behavior of zinc and cadmium comprising an anionic zwitterion of rigid 4,5-dicarboxy-1,3-dimethyl-1H-imidazolium iodide","CrystEngComm","2015","17","13","2754","","10.1039/C4CE02215G","","","0.71073","MoKα","","0.0455","0.0397","","","0.1079","0.1135","","","","","","1.071","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7219568","22.552","0.005","10.123","0.002","13.594","0.003","90","","90","","90","","3103.4","1.1","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","Zinc-herringbone","","","- C21 H25 I N6 O14 Zn2 -","- C21 H25 I N6 O14 Zn2 -","- C84 H100 I4 N24 O56 Zn8 -","4","0.5","","Tripathi, Sarita; Anantharaman, Ganapathi","Architectures varying from discrete molecular units to 2-dimensional coordination polymers and photoluminescence behavior of zinc and cadmium comprising an anionic zwitterion of rigid 4,5-dicarboxy-1,3-dimethyl-1H-imidazolium iodide","CrystEngComm","2015","17","13","2754","","10.1039/C4CE02215G","","","0.71073","MoKα","","0.0683","0.0527","","","0.1418","0.1576","","","","","","1.035","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219569","7.9324","0.0013","8.4897","0.0014","10.8444","0.0018","80.027","0.003","72.51","0.003","64.679","0.002","628.78","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","ZN DIMER","","","- C14 H18 I N4 O10 Zn2 -","- C14 H18 I N4 O10 Zn2 -","- C14 H18 I N4 O10 Zn2 -","1","0.5","","Tripathi, Sarita; Anantharaman, Ganapathi","Architectures varying from discrete molecular units to 2-dimensional coordination polymers and photoluminescence behavior of zinc and cadmium comprising an anionic zwitterion of rigid 4,5-dicarboxy-1,3-dimethyl-1H-imidazolium iodide","CrystEngComm","2015","17","13","2754","","10.1039/C4CE02215G","","","0.71073","MoKα","","0.0595","0.0534","","","0.1627","0.1792","","","","","","1.091","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219570","15.075","0.002","8.3079","0.0012","16.676","0.003","90","","92.8","0.003","90","","2086","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","zINC NITRATE MONOMER","","","- C14 H24 N4 O13 Zn -","- C14 H24 N4 O13 Zn -","- C56 H96 N16 O52 Zn4 -","4","1","","Tripathi, Sarita; Anantharaman, Ganapathi","Architectures varying from discrete molecular units to 2-dimensional coordination polymers and photoluminescence behavior of zinc and cadmium comprising an anionic zwitterion of rigid 4,5-dicarboxy-1,3-dimethyl-1H-imidazolium iodide","CrystEngComm","2015","17","13","2754","","10.1039/C4CE02215G","","","0.71073","MoKα","","0.0713","0.0516","","","0.1324","0.1726","","","","","","1.143","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219571","8.8373","0.0008","13.3995","0.0008","13.411","0.001","90","","91.947","0.002","90","","1587.2","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Cd DDII","","","- C14 H14 Cd N4 O8 -","- C14 H14 Cd N4 O8 -","- C56 H56 Cd4 N16 O32 -","4","0.5","","Tripathi, Sarita; Anantharaman, Ganapathi","Architectures varying from discrete molecular units to 2-dimensional coordination polymers and photoluminescence behavior of zinc and cadmium comprising an anionic zwitterion of rigid 4,5-dicarboxy-1,3-dimethyl-1H-imidazolium iodide","CrystEngComm","2015","17","13","2754","","10.1039/C4CE02215G","","","0.71073","MoKα","","0.0366","0.0316","","","0.0752","0.1078","","","","","","1.252","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219572","23.7739","0.0006","16.0647","0.0003","11.8936","0.0003","90","","99.029","0.003","90","","4486.13","0.18","100.01","0.1","100.01","0.1","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C16 H56 N16 S10 Sn3 -","- C16 H56 N16 S10 Sn3 -","- C64 H224 N64 S40 Sn12 -","4","0.5","","Nørby, Peter; Eikeland, Espen; Overgaard, Jacob; Johnsen, Simon; Iversen, Bo B.","Expanding the structural versatility of thiostannate(iv) complexes","CrystEngComm","2015","17","11","2413","","10.1039/C4CE02224F","","","0.71073","MoKα","","0.0538","0.0369","","","0.0721","0.0785","","","","","","1.051","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219573","5.93925","0.00012","12.1816","0.0002","12.4709","0.0003","90","","90","","90","","902.26","0.03","99.98","0.1","99.98","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C2 H12 N2 S3 Sn -","- C2 H12 N2 S3 Sn -","- C8 H48 N8 S12 Sn4 -","4","1","","Nørby, Peter; Eikeland, Espen; Overgaard, Jacob; Johnsen, Simon; Iversen, Bo B.","Expanding the structural versatility of thiostannate(iv) complexes","CrystEngComm","2015","17","11","2413","","10.1039/C4CE02224F","","","0.71073","MoKα","","0.0326","0.0316","","","0.0739","0.0747","","","","","","1.242","","","","has coordinates,has disorder","180526","2020-10-21","18:00:00",""
"7219574","16.98717","0.00013","10.54777","0.00007","21.08715","0.00019","90","","108.039","0.0009","90","","3592.61","0.05","99.97","0.11","99.97","0.11","","","","","","","","5","C 1 2 1","C 2y","5","","","","- H26.66667 N6 O1.33333 S9 Sn3 -","- H26.6667 N6 O1.33333 S9 Sn3 -","- H160 N36 O8 S54 Sn18 -","6","1.5","","Nørby, Peter; Eikeland, Espen; Overgaard, Jacob; Johnsen, Simon; Iversen, Bo B.","Expanding the structural versatility of thiostannate(iv) complexes","CrystEngComm","2015","17","11","2413","","10.1039/C4CE02224F","","","0.71073","MoKα","","0.018","0.017","","","0.0335","0.0338","","","","","","1.025","","","","has coordinates","212870","2020-10-21","18:00:00",""
"7219585","11.6044","0.0004","13.1169","0.0004","20.4496","0.0009","99.347","0.002","93.793","0.002","113.837","0.002","2779.28","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H28 Mo12 N12 O42 Si -","- C24 H28 Mo12 N12 O42 Si -","- C48 H56 Mo24 N24 O84 Si2 -","2","1","","Tong, Yi-Ping; Luo, Guo-Tian; Zhen, Jin; Shen, You; Lin, Yan-Wen","Synthesis, structures, and theoretical investigation of three polyoxomolybdate-based compounds: self-assembly, fragment analysis, orbital interaction, and formation mechanism","CrystEngComm","2015","17","13","2629","","10.1039/C4CE02545H","","","0.71073","MoKα","","0.0599","0.0382","","","0.0742","0.0825","","","","","","1.037","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219586","13.1126","0.0015","16.1764","0.0019","17.1279","0.0015","90","","123.896","0.006","90","","3015.6","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 Cu Mo4 N8 O13 -","- C16 H24 Cu Mo4 N8 O13 -","- C64 H96 Cu4 Mo16 N32 O52 -","4","1","","Tong, Yi-Ping; Luo, Guo-Tian; Zhen, Jin; Shen, You; Lin, Yan-Wen","Synthesis, structures, and theoretical investigation of three polyoxomolybdate-based compounds: self-assembly, fragment analysis, orbital interaction, and formation mechanism","CrystEngComm","2015","17","13","2629","","10.1039/C4CE02545H","","","0.71073","MoKα","","0.1062","0.0573","","","0.1219","0.1441","","","","","","1.003","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219587","23.3171","0.0013","15.7546","0.0009","12.0657","0.0007","90","","94.949","0.001","90","","4415.8","0.4","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C54 H59 Mo12 N27 O45 Si -","- C54 H59 Mo12 N27 O45 Si -","- C108 H118 Mo24 N54 O90 Si2 -","2","0.25","","Tong, Yi-Ping; Luo, Guo-Tian; Zhen, Jin; Shen, You; Lin, Yan-Wen","Synthesis, structures, and theoretical investigation of three polyoxomolybdate-based compounds: self-assembly, fragment analysis, orbital interaction, and formation mechanism","CrystEngComm","2015","17","13","2629","","10.1039/C4CE02545H","","","0.71073","MoKα","","0.0632","0.0514","","","0.1396","0.1479","","","","","","1.061","","","","has coordinates,has disorder","180526","2020-10-21","18:00:00",""
"7219588","7.068","0.0004","10.3127","0.0005","14.2953","0.0007","81.736","0.003","77.874","0.002","70.655","0.002","958.11","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","((1Z)-N-(benzylcarbamothioyl)ethanehydrazonoyl)ferrocene","","- C20 H21 Fe N3 S -","- C20 H21 Fe N3 S -","- C40 H42 Fe2 N6 S2 -","2","1","","Jawaria, Rifat; Hussain, Mazhar; Shafiq, Zahid; Ahmad, Hafiz Badaruddin; Tahir, Muhammad Nawaz; Shad, Hazoor Ahmad; Naseer, Muhammad Moazzam","Robustness of thioamide dimer synthon, carbon bonding and thioamide‒thioamide stacking in ferrocene-based thiosemicarbazones","CrystEngComm","2015","17","12","2553","","10.1039/C4CE02566K","","","0.71073","MoKα","","0.0366","0.0296","","","0.0745","0.0786","","","","","","1.032","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219589","19.7141","0.0014","7.0263","0.0004","28.099","0.002","90","","90.386","0.002","90","","3892.1","0.4","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","((1Z)-N-((2-chlorobenzyl)carbamothioyl)ethanehydrazonoyl)ferrocene","","- C20 H20 Cl Fe N3 S -","- C20 H20 Cl Fe N3 S -","- C160 H160 Cl8 Fe8 N24 S8 -","8","1","","Jawaria, Rifat; Hussain, Mazhar; Shafiq, Zahid; Ahmad, Hafiz Badaruddin; Tahir, Muhammad Nawaz; Shad, Hazoor Ahmad; Naseer, Muhammad Moazzam","Robustness of thioamide dimer synthon, carbon bonding and thioamide‒thioamide stacking in ferrocene-based thiosemicarbazones","CrystEngComm","2015","17","12","2553","","10.1039/C4CE02566K","","","0.71073","MoKα","","0.0589","0.0358","","","0.0788","0.0895","","","","","","1.016","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219590","7.1685","0.0003","10.3397","0.0004","14.596","0.0006","80.533","0.002","81.113","0.001","70.067","0.002","997.53","0.07","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","((1Z)-N-((4-methoxybenzyl)carbamothioyl)ethanehydrazonoyl)ferrocene","","- C21 H23 Fe N3 O S -","- C21 H23 Fe N3 O S -","- C42 H46 Fe2 N6 O2 S2 -","2","1","","Jawaria, Rifat; Hussain, Mazhar; Shafiq, Zahid; Ahmad, Hafiz Badaruddin; Tahir, Muhammad Nawaz; Shad, Hazoor Ahmad; Naseer, Muhammad Moazzam","Robustness of thioamide dimer synthon, carbon bonding and thioamide‒thioamide stacking in ferrocene-based thiosemicarbazones","CrystEngComm","2015","17","12","2553","","10.1039/C4CE02566K","","","0.71073","MoKα","","0.0416","0.0306","","","0.0735","0.0799","","","","","","1.045","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219591","18.8634","0.0013","7.1602","0.0005","27.7613","0.0018","90","","92.83","0.004","90","","3745","0.4","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","((1Z)-N-((2-fluorobenzyl)carbamothioyl)ethanehydrazonoyl)ferrocene","","- C20 H20 F Fe N3 S -","- C20 H20 F Fe N3 S -","- C160 H160 F8 Fe8 N24 S8 -","8","1","","Jawaria, Rifat; Hussain, Mazhar; Shafiq, Zahid; Ahmad, Hafiz Badaruddin; Tahir, Muhammad Nawaz; Shad, Hazoor Ahmad; Naseer, Muhammad Moazzam","Robustness of thioamide dimer synthon, carbon bonding and thioamide‒thioamide stacking in ferrocene-based thiosemicarbazones","CrystEngComm","2015","17","12","2553","","10.1039/C4CE02566K","","","0.71073","MoKα","","0.0609","0.0347","","","0.0714","0.083","","","","","","1.026","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219592","19.0887","0.0009","7.2037","0.0003","27.4267","0.0012","90","","91.056","0.002","90","","3770.8","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","((1Z)-N-((4-flourobenzyl)carbamothioyl)ethanehydrazonoyl)ferrocene","","- C20 H20 F Fe N3 S -","- C20 H20 F Fe N3 S -","- C160 H160 F8 Fe8 N24 S8 -","8","1","","Jawaria, Rifat; Hussain, Mazhar; Shafiq, Zahid; Ahmad, Hafiz Badaruddin; Tahir, Muhammad Nawaz; Shad, Hazoor Ahmad; Naseer, Muhammad Moazzam","Robustness of thioamide dimer synthon, carbon bonding and thioamide‒thioamide stacking in ferrocene-based thiosemicarbazones","CrystEngComm","2015","17","12","2553","","10.1039/C4CE02566K","","","0.71073","MoKα","","0.0448","0.0313","","","0.0718","0.0782","","","","","","1.025","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219603","23.286","0.002","17.2577","0.0016","18.2221","0.0017","90","","126.661","0.003","90","","5874.2","1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H23 Cd2 N5 O12 -","- C21 H23 Cd2 N5 O12 -","- C168 H184 Cd16 N40 O96 -","8","1","","Xia, Yu-Pei; Li, Yun-Wu; Li, Da-Cheng; Yao, Qing-Xia; Du, Yu-Chang; Dou, Jian-Min","A new Cd(ii)-based metal‒organic framework for highly sensitive fluorescence sensing of nitrobenzene","CrystEngComm","2015","17","12","2459","","10.1039/C5CE00162E","","","0.71073","MoKα","","0.1442","0.0707","","","0.1428","0.1616","","","","","","1.009","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219611","10.7259","0.0009","14.2208","0.0012","14.8907","0.0012","92.508","0.001","93.72","0.001","98.825","0.001","2236.3","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H42 Cl6 N6 O8 -","- C44 H42 Cl6 N6 O8 -","- C88 H84 Cl12 N12 O16 -","2","1","","Wang, Jungang; Wang, Miao; Xiang, Jiachen; Cao, Liping; Wu, Anxin; Isaacs, Lyle","Dimeric packing of molecular clips induced by interactions between π-systems","CrystEngComm","2015","17","12","2486","","10.1039/C4CE02447H","","","0.71073","MoKα","","0.0782","0.0637","","","0.1797","0.1951","","","","","","1.065","","","","has coordinates,has disorder","180527","2020-10-21","18:00:00",""
"7219612","10.8333","0.0015","14.2199","0.0019","15.066","0.002","93.122","0.002","108.057","0.002","99.045","0.002","2165.9","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H33 Cl3 F10 N4 O8 -","- C45 H33 Cl3 F10 N4 O8 -","- C90 H66 Cl6 F20 N8 O16 -","2","1","","Wang, Jungang; Wang, Miao; Xiang, Jiachen; Cao, Liping; Wu, Anxin; Isaacs, Lyle","Dimeric packing of molecular clips induced by interactions between π-systems","CrystEngComm","2015","17","12","2486","","10.1039/C4CE02447H","","","0.71073","MoKα","","0.0876","0.0592","","","0.1666","0.1893","","","","","","1.157","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219613","11.0037","0.0013","13.2032","0.0014","17.428","0.003","89.128","0.002","76.376","0.002","72.207","0.011","2338.6","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H46 Cl6 N6 O10 -","- C46 H46 Cl6 N6 O10 -","- C92 H92 Cl12 N12 O20 -","2","1","","Wang, Jungang; Wang, Miao; Xiang, Jiachen; Cao, Liping; Wu, Anxin; Isaacs, Lyle","Dimeric packing of molecular clips induced by interactions between π-systems","CrystEngComm","2015","17","12","2486","","10.1039/C4CE02447H","","","0.71073","MoKα","","0.1276","0.107","","","0.2451","0.2575","","","","","","1.136","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219614","11.1774","0.0014","13.9112","0.0018","26.663","0.003","90","","97.601","0.002","90","","4109.4","0.9","220","2","220","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H39 Cl3 N4 O8 -","- C45 H39 Cl3 N4 O8 -","- C180 H156 Cl12 N16 O32 -","4","1","","Wang, Jungang; Wang, Miao; Xiang, Jiachen; Cao, Liping; Wu, Anxin; Isaacs, Lyle","Dimeric packing of molecular clips induced by interactions between π-systems","CrystEngComm","2015","17","12","2486","","10.1039/C4CE02447H","","","0.71073","MoKα","","0.0489","0.0381","","","0.0987","0.104","","","","","","1.083","","","","has coordinates,has disorder","180527","2020-10-21","18:00:00",""
"7219615","12.9379","0.0012","13.0294","0.0012","15.7092","0.0014","114.083","0.001","93.522","0.001","111.344","0.001","2182.1","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H41 Cl3 F2 N3 O8.5 -","- C47 H41 Cl3 F2 N3 O8.5 -","- C94 H82 Cl6 F4 N6 O17 -","2","1","","Wang, Jungang; Wang, Miao; Xiang, Jiachen; Cao, Liping; Wu, Anxin; Isaacs, Lyle","Dimeric packing of molecular clips induced by interactions between π-systems","CrystEngComm","2015","17","12","2486","","10.1039/C4CE02447H","","","0.71073","MoKα","","0.0671","0.055","","","0.1622","0.1746","","","","","","1.051","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219616","13.1674","0.0015","13.8587","0.0016","15.664","0.0018","64.005","0.002","85.984","0.002","67.813","0.002","2363.3","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C53.5 H43.5 Cl4.5 N4 O8 -","- C53.5 H43.5 Cl4.52 N4 O8 -","- C107 H87 Cl9.04 N8 O16 -","2","1","","Wang, Jungang; Wang, Miao; Xiang, Jiachen; Cao, Liping; Wu, Anxin; Isaacs, Lyle","Dimeric packing of molecular clips induced by interactions between π-systems","CrystEngComm","2015","17","12","2486","","10.1039/C4CE02447H","","","0.71073","MoKα","","0.0965","0.0784","","","0.2216","0.2403","","","","","","1.033","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219617","10.9368","0.0013","14.8456","0.0018","15.7583","0.0019","71.07","0.002","89.029","0.002","69.365","0.002","2251.2","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H43 Cl3 N4 O8 -","- C49 H43 Cl3 N4 O8 -","- C98 H86 Cl6 N8 O16 -","2","1","","Wang, Jungang; Wang, Miao; Xiang, Jiachen; Cao, Liping; Wu, Anxin; Isaacs, Lyle","Dimeric packing of molecular clips induced by interactions between π-systems","CrystEngComm","2015","17","12","2486","","10.1039/C4CE02447H","","","0.71073","MoKα","","0.1059","0.0565","","","0.1485","0.1818","","","","","","1.021","","","","has coordinates,has disorder","180527","2020-10-21","18:00:00",""
"7219621","14.699","0.004","14.699","0.004","19.102","0.005","90","","90","","120","","3574.3","1.7","100","2","100","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C12 H36 Bi Cl6 N3 -","- C12 H36 Bi Cl6 N3 -","- C72 H216 Bi6 Cl36 N18 -","6","0.333333","","Liu, Guangfeng; Liu, Jie; Zheng, Xiaoxin; Liu, Yang; Yuan, Dongsheng; Zhang, Xixia; Gao, Zeliang; Tao, Xutang","Bulk crystal growth and characterization of semi-organic nonlinear optical crystal tri-diethylammonium hexachlorobismuthate (TDCB)","CrystEngComm","2015","17","12","2569","","10.1039/C4CE02182G","","","0.71069","MoKα","","0.0109","0.0109","","","0.0295","0.0295","","","","","","1.092","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219622","5.1179","0.0008","12.2079","0.0018","12.7508","0.0019","90","","90","","90","","796.7","0.2","100","2","100","2","","","","","","","synthetic","4","P 21 21 21","P 2ac 2ab","19","Carglumic Acid","N-Carbamoyl-L-Glutamic Acid","","- C6 H10 N2 O5 -","- C6 H10 N2 O5 -","- C24 H40 N8 O20 -","4","1","","Maddileti, D.; Nangia, Ashwini","Polymorphism in anti-hyperammonemic agent N-carbamoyl-l-glutamic acid","CrystEngComm","2015","17","28","5252","","10.1039/C5CE00116A","","","0.71073","MoKα","","0.0273","0.0264","","","0.0628","0.0634","","","","","","1.09","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219623","5.3615","0.0005","15.8123","0.0015","9.9631","0.0009","90","","90.899","0.002","90","","844.54","0.14","100","2","100","2","","","","","","","synthetic","4","P 1 21 1","P 2yb","4","Carglumic Acid","N-Carbamoyl-L-Glutamic Acid","","- C6 H10 N2 O5 -","- C6 H10 N2 O5 -","- C24 H40 N8 O20 -","4","2","","Maddileti, D.; Nangia, Ashwini","Polymorphism in anti-hyperammonemic agent N-carbamoyl-l-glutamic acid","CrystEngComm","2015","17","28","5252","","10.1039/C5CE00116A","","","0.71073","MoKα","","0.0346","0.0323","","","0.0777","0.079","","","","","","1.049","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219624","6.2475","0.0004","7.1111","0.0006","17.3692","0.0011","90","","96.792","0.005","90","","766.24","0.09","298","2","293","2","","","","","","","synthetic","4","P 1 21 1","P 2yb","4","Hydantoin-5-propionic acid","3-(2,5-dioxoimidazolidin-4-yl) propanoic acid","","- C6 H8 N2 O4 -","- C6 H8 N2 O4 -","- C24 H32 N8 O16 -","4","2","","Maddileti, D.; Nangia, Ashwini","Polymorphism in anti-hyperammonemic agent N-carbamoyl-l-glutamic acid","CrystEngComm","2015","17","28","5252","","10.1039/C5CE00116A","","","0.71073","MoKα","","0.0408","0.0362","","","0.0804","0.0855","","","","","","1.068","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219625","12.7832","0.0001","12.7832","0.0001","32.5345","0.0007","90","","90","","90","","5316.47","0.13","293","2","293","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C80 H74 Cd N8 O12 -","- C80 H64 Cd N8 O12 -","- C160 H128 Cd2 N16 O24 -","2","0.25","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Tsai, Chen-Chuan; Lu, Kuang-Lieh","A huge diamondoid metal‒organic framework with a neo-mode of tenfold interpenetration","CrystEngComm","2015","17","15","2935","","10.1039/C5CE00037H","","","0.71073","MoKα","","0.1059","0.0574","","","0.1404","0.155","","","","","","0.963","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219639","5.2162","0.0004","12.3693","0.0009","13.1192","0.0009","90","","99.065","0.003","90","","835.89","0.11","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","4-aminoquinaldine form I","2-methyl-4-amino-quinoline form I","","- C10 H10 N2 -","- C10 H10 N2 -","- C40 H40 N8 -","4","1","","Braun, Doris E.; Gelbrich, Thomas; Kahlenberg, Volker; Griesser, Ulrich J.","Solid state forms of 4-aminoquinaldine - From void structures with and without solvent inclusion to close packing.","CrystEngComm / RSC","2015","17","12","2504","2516","10.1039/C5CE00118H","","x-ray","0.71073","MoKα","","0.0532","0.0365","","","0.1001","0.1062","","","","","","1.012","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219640","28.4074","0.0008","28.4074","0.0008","11.9126","0.0005","90","","90","","120","","8325.3","0.5","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","4-aminoquinaldine form II","2-methyl-4-amino-quinoline form II","","- C10.08 H10 Cl0.33 N2 -","- C10.0833 H10 Cl0.3334 N2 -","- C363 H360 Cl12.0024 N72 -","36","2","","Braun, Doris E.; Gelbrich, Thomas; Kahlenberg, Volker; Griesser, Ulrich J.","Solid state forms of 4-aminoquinaldine - From void structures with and without solvent inclusion to close packing.","CrystEngComm / RSC","2015","17","12","2504","2516","10.1039/C5CE00118H","","x-ray","0.71073","MoKα","","0.0673","0.0564","","","0.1538","0.1637","","","","","","1.012","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219641","8.2583","0.0007","9.0938","0.0007","9.1385","0.0007","88.094","0.005","77.372","0.005","80.171","0.005","659.86","0.09","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","(2-chloro-4-nitrobenzoic acid)(2-bromopyridine)","","- C12 H8 Br Cl N2 O4 -","- C12 H8 Br Cl N2 O4 -","- C24 H16 Br2 Cl2 N4 O8 -","2","1","","Lemmerer, Andreas; Govindraju, Stefan; Johnston, Marcelle; Motloung, Xolani; Savig, Kelsey L.","Co-crystals and molecular salts of carboxylic acid/pyridine complexes: can calculated pKa's predict proton transfer? A case study of nine complexes","CrystEngComm","2015","17","19","3591","","10.1039/C5CE00102A","","","0.71073","MoKα","","0.0727","0.0562","","","0.1446","0.1579","","","","","","1.007","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219642","9.8994","0.0003","11.937","0.0004","13.4905","0.0006","110.222","0.002","96.641","0.002","107.059","0.001","1387.59","0.09","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","(2-chloro-4-nitrobenzoic acid)(3-amino-2-bromopyridine)","","- C12 H9 Br Cl N3 O4 -","- C12 H9 Br Cl N3 O4 -","- C48 H36 Br4 Cl4 N12 O16 -","4","2","","Lemmerer, Andreas; Govindraju, Stefan; Johnston, Marcelle; Motloung, Xolani; Savig, Kelsey L.","Co-crystals and molecular salts of carboxylic acid/pyridine complexes: can calculated pKa's predict proton transfer? A case study of nine complexes","CrystEngComm","2015","17","19","3591","","10.1039/C5CE00102A","","","0.71073","MoKα","","0.0513","0.0385","","","0.1038","0.1081","","","","","","0.993","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219643","7.0984","0.0002","24.0534","0.0007","15.7748","0.0005","90","","93.424","0.002","90","","2688.59","0.14","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(2-chloro-4-nitrobenzoic acid)(3-amino-2-chloropyridine)","","- C12 H9 Cl2 N3 O4 -","- C12 H9 Cl2 N3 O4 -","- C96 H72 Cl16 N24 O32 -","8","2","","Lemmerer, Andreas; Govindraju, Stefan; Johnston, Marcelle; Motloung, Xolani; Savig, Kelsey L.","Co-crystals and molecular salts of carboxylic acid/pyridine complexes: can calculated pKa's predict proton transfer? A case study of nine complexes","CrystEngComm","2015","17","19","3591","","10.1039/C5CE00102A","","","0.71073","MoKα","","0.0516","0.0344","","","0.0818","0.0873","","","","","","0.985","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219644","3.737","0.0003","12.6714","0.0011","14.3717","0.0013","90","","94.984","0.002","90","","677.97","0.1","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2-chloro-4-nitrobenzoic acid)(2-amino-5-nitropyridine)","","- C12 H9 Cl N4 O6 -","- C12 H9 Cl N4 O6 -","- C24 H18 Cl2 N8 O12 -","2","1","","Lemmerer, Andreas; Govindraju, Stefan; Johnston, Marcelle; Motloung, Xolani; Savig, Kelsey L.","Co-crystals and molecular salts of carboxylic acid/pyridine complexes: can calculated pKa's predict proton transfer? A case study of nine complexes","CrystEngComm","2015","17","19","3591","","10.1039/C5CE00102A","","","0.71073","MoKα","","0.1057","0.1033","","","0.2886","0.2908","","","","","","1.176","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219645","6.435","0.0002","10.3354","0.0003","11.2546","0.0004","98.577","0.002","105.074","0.001","98.022","0.002","702.11","0.04","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","(2-chloro-4-nitrobenzoate)(2-amino-3-bromopyridinium)","","- C12 H9 Br Cl N3 O4 -","- C12 H9 Br Cl N3 O4 -","- C24 H18 Br2 Cl2 N6 O8 -","2","1","","Lemmerer, Andreas; Govindraju, Stefan; Johnston, Marcelle; Motloung, Xolani; Savig, Kelsey L.","Co-crystals and molecular salts of carboxylic acid/pyridine complexes: can calculated pKa's predict proton transfer? A case study of nine complexes","CrystEngComm","2015","17","19","3591","","10.1039/C5CE00102A","","","0.71073","MoKα","","0.0333","0.0279","","","0.0709","0.0729","","","","","","0.986","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219646","6.1583","0.0002","9.9176","0.0002","11.1477","0.0003","83.332","0.002","76.262","0.001","77.053","0.001","643.14","0.03","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","(2-chloro-4-nitrobenzoic acid)(2-chloro-3-hydroxypyridine)","","- C12 H8 Cl2 N2 O5 -","- C12 H8 Cl2 N2 O5 -","- C24 H16 Cl4 N4 O10 -","2","1","","Lemmerer, Andreas; Govindraju, Stefan; Johnston, Marcelle; Motloung, Xolani; Savig, Kelsey L.","Co-crystals and molecular salts of carboxylic acid/pyridine complexes: can calculated pKa's predict proton transfer? A case study of nine complexes","CrystEngComm","2015","17","19","3591","","10.1039/C5CE00102A","","","0.71073","MoKα","","0.0389","0.0281","","","0.0723","0.0783","","","","","","1.014","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219647","3.9305","0.0002","12.4261","0.0006","13.8457","0.0007","94.312","0.002","91.431","0.002","96.374","0.002","669.77","0.06","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","(2-chloro-4-nitrobenzoate)(2-amino-5-bromopyridinium)","","- C12 H9 Br Cl N3 O4 -","- C12 H9 Br Cl N3 O4 -","- C24 H18 Br2 Cl2 N6 O8 -","2","1","","Lemmerer, Andreas; Govindraju, Stefan; Johnston, Marcelle; Motloung, Xolani; Savig, Kelsey L.","Co-crystals and molecular salts of carboxylic acid/pyridine complexes: can calculated pKa's predict proton transfer? A case study of nine complexes","CrystEngComm","2015","17","19","3591","","10.1039/C5CE00102A","","","0.71073","MoKα","","0.0375","0.029","","","0.0661","0.0689","","","","","","0.907","","","","has coordinates","204124","2020-10-21","18:00:00",""
"7219648","3.8601","0.0002","12.3629","0.0006","13.9025","0.0007","93.742","0.002","91.893","0.002","96.066","0.002","657.8","0.06","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","(2-chloro-4-nitrobenzoate)(2-amino-5-chloropyridinium)","","- C12 H9 Cl2 N3 O4 -","- C12 H9 Cl2 N3 O4 -","- C24 H18 Cl4 N6 O8 -","2","1","","Lemmerer, Andreas; Govindraju, Stefan; Johnston, Marcelle; Motloung, Xolani; Savig, Kelsey L.","Co-crystals and molecular salts of carboxylic acid/pyridine complexes: can calculated pKa's predict proton transfer? A case study of nine complexes","CrystEngComm","2015","17","19","3591","","10.1039/C5CE00102A","","","0.71073","MoKα","","0.0642","0.0422","","","0.0896","0.0978","","","","","","0.92","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219649","15.5907","0.0012","25.242","0.002","7.1987","0.0006","90","","100.654","0.005","90","","2784.1","0.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H13 Cl N2 O4 -","- C14 H13 Cl N2 O4 -","- C112 H104 Cl8 N16 O32 -","8","1","","Lemmerer, Andreas; Govindraju, Stefan; Johnston, Marcelle; Motloung, Xolani; Savig, Kelsey L.","Co-crystals and molecular salts of carboxylic acid/pyridine complexes: can calculated pKa's predict proton transfer? A case study of nine complexes","CrystEngComm","2015","17","19","3591","","10.1039/C5CE00102A","","","0.71073","MoKα","","0.0591","0.0381","","","0.0933","0.1016","","","","","","0.982","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219650","4.59","0.004","8.336","0.007","15.282","0.013","90","","96.929","0.017","90","","580.5","0.9","100","2","100","2","","","","","","","Isabelle Kirby","4","P 1 21 1","P 2yb","4","1-(4-nitrophenyl)-3-(phenyl)urea","1-(4-nitrophenyl)-3-(phenyl)urea","","- C13 H11 N3 O3 -","- C13 H11 N3 O3 -","- C26 H22 N6 O6 -","2","1","","Kirby, Isabelle L.; Pitak, Mateusz B.; Wilson, Claire; Gale, Philip A.; Coles, Simon J.","Electron density distribution studies as a tool to explore the behaviour of thiourea-based anion receptors","CrystEngComm","2015","17","14","2815","","10.1039/C5CE00213C","","","0.71073","MoKα","","0.0492","0.0448","","","0.1159","0.1185","","","","","","1.071","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219651","5.6328","0.0007","7.7579","0.0009","28.178","0.004","90","","92.324","0.007","90","","1230.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1-(4-nitrophenyl)-3-phenyl thiourea","","","- C13 H11 N3 O2 S -","- C13 H11 N3 O2 S -","- C52 H44 N12 O8 S4 -","4","1","","Kirby, Isabelle L.; Pitak, Mateusz B.; Wilson, Claire; Gale, Philip A.; Coles, Simon J.","Electron density distribution studies as a tool to explore the behaviour of thiourea-based anion receptors","CrystEngComm","2015","17","14","2815","","10.1039/C5CE00213C","","","0.71073","MoKα","","0.0562","0.0428","","","0.1002","0.1066","","","","","","1.024","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219652","13.8899","0.0018","24.389","0.003","3.6682","0.0004","90","","90","","90","","1242.6","0.3","35","2","35","2","","","","","","","","4","P n a 21","P 2c -2n","33","1,3-bis(4-nitrophenyl)urea","","","- C13 H10 N4 O5 -","- C13 H10 N4 O5 -","- C52 H40 N16 O20 -","4","1","","Kirby, Isabelle L.; Pitak, Mateusz B.; Wilson, Claire; Gale, Philip A.; Coles, Simon J.","Electron density distribution studies as a tool to explore the behaviour of thiourea-based anion receptors","CrystEngComm","2015","17","14","2815","","10.1039/C5CE00213C","","","0.6889","","","0.0429","0.0424","","","0.1101","0.111","","","","","","1.133","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219653","8.2109","0.0005","25.4709","0.0018","12.5244","0.0009","90","","96.054","0.002","90","","2604.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1,3-bis(4-nitrophenyl)thiourea","","","- C13 H10 N4 O4 S -","- C13 H10 N4 O4 S -","- C104 H80 N32 O32 S8 -","8","2","","Kirby, Isabelle L.; Pitak, Mateusz B.; Wilson, Claire; Gale, Philip A.; Coles, Simon J.","Electron density distribution studies as a tool to explore the behaviour of thiourea-based anion receptors","CrystEngComm","2015","17","14","2815","","10.1039/C5CE00213C","","","0.71073","MoKα","","0.0569","0.0502","","","0.1416","0.1463","","","","","","1.059","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7219654","8.41","0.006","24.362","0.018","11.143","0.008","90","","106.286","0.007","90","","2191","3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1-(4-nitropheny)-3-phenylurea TEACl","","","- C21 H31 Cl N4 O3 -","- C21 H31 Cl N4 O3 -","- C84 H124 Cl4 N16 O12 -","4","1","","Kirby, Isabelle L.; Pitak, Mateusz B.; Wilson, Claire; Gale, Philip A.; Coles, Simon J.","Electron density distribution studies as a tool to explore the behaviour of thiourea-based anion receptors","CrystEngComm","2015","17","14","2815","","10.1039/C5CE00213C","","","0.6889","","","0.057","0.045","","","","0.046","","","","","","1.831","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219655","9.1587","0.0014","10.2436","0.0016","17.871","0.003","87.983","0.006","79.043","0.005","72.22","0.006","1567","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","1-(4-nitrophenyl)-3-phenylthiourea TMA CL","1-(4-nitrophenyl)-3-phenylthiourea TMA CL","","- C30 H34 Cl N7 O4 S2 -","- C30 H34 Cl N7 O4 S2 -","- C60 H68 Cl2 N14 O8 S4 -","2","1","","Kirby, Isabelle L.; Pitak, Mateusz B.; Wilson, Claire; Gale, Philip A.; Coles, Simon J.","Electron density distribution studies as a tool to explore the behaviour of thiourea-based anion receptors","CrystEngComm","2015","17","14","2815","","10.1039/C5CE00213C","","","0.71073","MoKα","","0.051","0.035","","","","0.045","","","","","","1.746","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219656","8.968","0.002","15.649","0.004","15.899","0.004","113.061","0.001","103.685","0.003","101.701","0.002","1882.6","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","1,3-bis(4-nitrophenyl)thiourea TEA CL","1,3-bis(4-nitrophenyl)thiourea TEA CL","","- C34 H40 Cl N9 O8 S2 -","- C34 H40 Cl N9 O8 S2 -","- C68 H80 Cl2 N18 O16 S4 -","2","1","","Kirby, Isabelle L.; Pitak, Mateusz B.; Wilson, Claire; Gale, Philip A.; Coles, Simon J.","Electron density distribution studies as a tool to explore the behaviour of thiourea-based anion receptors","CrystEngComm","2015","17","14","2815","","10.1039/C5CE00213C","","","0.71073","MoKα","","0.056","0.04","","","","0.057","0.054","","","","","2.556","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7219657","8.393","0.002","24.366","0.006","11.151","0.003","90","","106.57","0.005","90","","2185.7","1","100","2","100","2","","","","","","","Isabelle L Kirby","5","P 1 21/n 1","-P 2yn","14","1-(4-nitrophenyl)-3-phenylurea with TEACl","1-(4-nitrophenyl)-3-phenylurea with TEACl","","- C21 H31 Cl N4 O3 -","- C21 H31 Cl N4 O3 -","- C84 H124 Cl4 N16 O12 -","4","1","","Kirby, Isabelle L.; Pitak, Mateusz B.; Wilson, Claire; Gale, Philip A.; Coles, Simon J.","Electron density distribution studies as a tool to explore the behaviour of thiourea-based anion receptors","CrystEngComm","2015","17","14","2815","","10.1039/C5CE00213C","","","0.71073","MoKα","","0.0869","0.0714","","","0.1555","0.1654","","","","","","1.096","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219658","9.1587","0.0014","10.2436","0.0016","17.871","0.003","87.983","0.006","79.043","0.005","72.22","0.006","1567","0.4","100","2","100","2","","","","","","","Isabelle Kirby","6","P -1","-P 1","2","1-(4-nitrophenyl)-3-phenylthiourea TMA CL","1-(4-nitrophenyl)-3-phenylthiourea TMA CL","","- C30 H34 Cl N7 O4 S2 -","- C30 H34 Cl N7 O4 S2 -","- C60 H68 Cl2 N14 O8 S4 -","2","1","","Kirby, Isabelle L.; Pitak, Mateusz B.; Wilson, Claire; Gale, Philip A.; Coles, Simon J.","Electron density distribution studies as a tool to explore the behaviour of thiourea-based anion receptors","CrystEngComm","2015","17","14","2815","","10.1039/C5CE00213C","","","0.71073","MoKα","","0.0341","0.0336","","","0.1082","0.1088","","","","","","1.289","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219659","8.968","0.002","15.649","0.004","15.899","0.004","113.061","0.001","103.685","0.003","101.701","0.002","1882.6","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","1,3-bis(4-nitrophenyl)thiourea TEA CL","","","- C34 H40 Cl N9 O8 S2 -","- C34 H40 Cl N9 O8 S2 -","- C68 H80 Cl2 N18 O16 S4 -","2","1","","Kirby, Isabelle L.; Pitak, Mateusz B.; Wilson, Claire; Gale, Philip A.; Coles, Simon J.","Electron density distribution studies as a tool to explore the behaviour of thiourea-based anion receptors","CrystEngComm","2015","17","14","2815","","10.1039/C5CE00213C","","","0.71073","MoKα","","0.0444","0.0436","","","0.1371","0.1377","","","","","","1.632","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7219669","8.1858","0.0002","11.5886","0.0002","12.1497","0.0002","90","","108.44","0.001","90","","1093.37","0.04","296","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,4-Bis[di(pyrid-2-yl)hydroxymethyl]benzene","","- C28 H22 N4 O2 -","- C28 H22 N4 O2 -","- C56 H44 N8 O4 -","2","0.5","","Katzsch, Felix; Weber, Edwin","Crystalline inclusion properties of new pyridine and thiophene modified wheel-and-axle diol hosts","CrystEngComm","2015","17","13","2737","","10.1039/C5CE00180C","","","0.71073","MoKα","","0.0433","0.0409","","","0.1071","0.1087","","","","","","1.069","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219670","8.0741","0.0002","8.8856","0.0002","10.7962","0.0003","94.179","0.001","107.25","0.001","108.943","0.001","687.28","0.03","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1,4-Bis[di(pyrid-2-yl)hydroxymethyl]benzene","","- C32 H30 N4 O4 -","- C32 H30 N4 O4 -","- C32 H30 N4 O4 -","1","0.5","","Katzsch, Felix; Weber, Edwin","Crystalline inclusion properties of new pyridine and thiophene modified wheel-and-axle diol hosts","CrystEngComm","2015","17","13","2737","","10.1039/C5CE00180C","","","0.71073","MoKα","","0.0373","0.0333","","","0.0854","0.088","","","","","","1.081","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219671","8.1184","0.0002","9.9587","0.0003","10.905","0.0003","106.597","0.002","108.702","0.001","100.101","0.002","764.91","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1,4-Bis[di(pyrid-2-yl)hydroxymethyl]benzene","","- C28 H22 N4 O2 -","- C28 H22 N4 O2 -","- C28 H22 N4 O2 -","1","0.5","","Katzsch, Felix; Weber, Edwin","Crystalline inclusion properties of new pyridine and thiophene modified wheel-and-axle diol hosts","CrystEngComm","2015","17","13","2737","","10.1039/C5CE00180C","","","0.71073","MoKα","","0.0449","0.0421","","","0.1199","0.1237","","","","","","1.097","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219672","10.8407","0.0002","7.9198","0.0002","17.3513","0.0004","90","","96.968","0.001","90","","1478.71","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,4-Bis[di(thien-2-yl)hydroxymethyl]benzene pyrrolidine disolvate","","- C32 H36 N2 O2 S4 -","- C32 H36 N2 O2 S4 -","- C64 H72 N4 O4 S8 -","2","0.5","","Katzsch, Felix; Weber, Edwin","Crystalline inclusion properties of new pyridine and thiophene modified wheel-and-axle diol hosts","CrystEngComm","2015","17","13","2737","","10.1039/C5CE00180C","","","0.71073","MoKα","","0.0373","0.0357","","","0.0959","0.097","","","","","","1.061","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219673","7.9103","0.0001","8.5838","0.0002","11.5231","0.0002","109.713","0.001","90.629","0.001","115.931","0.001","650.7","0.02","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1,4-Bis[di(thien-2-yl)hydroxymethyl]benzene dioxane solvate","","- C28 H26 O4 S4 -","- C28 H26 O4 S4 -","- C28 H26 O4 S4 -","1","0.5","","Katzsch, Felix; Weber, Edwin","Crystalline inclusion properties of new pyridine and thiophene modified wheel-and-axle diol hosts","CrystEngComm","2015","17","13","2737","","10.1039/C5CE00180C","","","0.71073","MoKα","","0.0349","0.0324","","","0.0785","0.0795","","","","","","1.042","","","","has coordinates,has disorder","180527","2020-10-21","18:00:00",""
"7219674","8.3478","0.0018","8.0618","0.0017","32.729","0.007","90","","90.315","0.006","90","","2202.6","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3-Bis[di(pyrid-2-yl)hydroxymethyl]benzene","","- C28 H22 N4 O2 -","- C28 H22 N4 O2 -","- C112 H88 N16 O8 -","4","1","","Katzsch, Felix; Weber, Edwin","Crystalline inclusion properties of new pyridine and thiophene modified wheel-and-axle diol hosts","CrystEngComm","2015","17","13","2737","","10.1039/C5CE00180C","","","0.71073","MoKα","","0.1203","0.0556","","","0.1037","0.12","","","","","","0.938","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219675","8.2873","0.001","10.6627","0.0012","12.9725","0.0018","97.625","0.007","107.153","0.007","93.365","0.009","1079.8","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1,3-Bis[di(pyrid-2-yl)hydroxymethyl]benzene","","- C28 H22 N4 O2 -","- C28 H22 N4 O2 -","- C56 H44 N8 O4 -","2","1","","Katzsch, Felix; Weber, Edwin","Crystalline inclusion properties of new pyridine and thiophene modified wheel-and-axle diol hosts","CrystEngComm","2015","17","13","2737","","10.1039/C5CE00180C","","","0.71073","MoKα","","0.045","0.0356","","","0.0843","0.0886","","","","","","1.06","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219676","10.6246","0.0003","12.9366","0.0003","16.5166","0.0005","107.177","0.001","93.355","0.002","97.558","0.001","2138.65","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1,3-Bis[di(pyrid-2-yl)hydroxymethyl]benzene","","- C28 H22 N4 O2 -","- C28 H22 N4 O2 -","- C112 H88 N16 O8 -","4","2","","Katzsch, Felix; Weber, Edwin","Crystalline inclusion properties of new pyridine and thiophene modified wheel-and-axle diol hosts","CrystEngComm","2015","17","13","2737","","10.1039/C5CE00180C","","","0.71073","MoKα","","0.0994","0.0378","","","0.1076","0.1194","","","","","","0.939","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219677","7.7444","0.0007","8.2359","0.0008","8.8697","0.0008","66.62","0.009","71.005","0.008","82.957","0.008","490.99","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","catena{(mu2-adipate)-bis(pyridine-4-aldoxime)copper(II)}","","","- C18 H20 Cu N4 O6 -","- C18 H20 Cu N4 O6 -","- C18 H20 Cu N4 O6 -","1","0.5","","Croitor, Lilia; Grabco, Daria Z.; Coropceanu, Eduard B.; Pyrtsac, Constantin; Fonari, Marina S.","Structure and mechanical features of one-dimensional coordination polymer catena-{(μ2-adipato-O,O′)-bis(pyridine-4-aldoxime)-copper(ii)}","CrystEngComm","2015","17","12","2450","","10.1039/C4CE02444C","","","0.71073","MoKα","","0.0434","0.0393","","","0.0948","0.1","","","","","","0.999","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219679","9.837","0.002","16.124","0.004","8.643","0.003","90","","90","","90","","1370.9","0.6","293","2","293","2","","","","","","","","4","P b c 21","P 2c -2b","29","","","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C64 H52 N4 O8 -","4","1","","Colaço, Melwin; Dubois, Jean; Wouters, Johan","Mechanochemical synthesis of phthalimides with crystal structures of intermediates and products","CrystEngComm","2015","17","12","2523","","10.1039/C5CE00038F","","","0.71073","MoKα","","0.1254","0.088","","","0.235","0.2702","","","","","","1.089","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219680","8.3591","0.0003","10.4196","0.0007","19.0455","0.0009","88.407","0.005","88.481","0.003","76.34","0.004","1610.95","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C75 H59 N4 O16 -","- C75 H59 N4 O16 -","- C75 H59 N4 O16 -","1","0.5","","Colaço, Melwin; Dubois, Jean; Wouters, Johan","Mechanochemical synthesis of phthalimides with crystal structures of intermediates and products","CrystEngComm","2015","17","12","2523","","10.1039/C5CE00038F","","","0.71073","MoKα","","0.0749","0.0468","","","0.1082","0.1247","","","","","","0.991","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219681","8.404","0.0005","11.693","0.001","15.24","0.001","97.881","0.006","93.354","0.005","96.81","0.006","1468.73","0.18","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H13 N O4 -","- C17 H13 N O4 -","- C68 H52 N4 O16 -","4","2","","Colaço, Melwin; Dubois, Jean; Wouters, Johan","Mechanochemical synthesis of phthalimides with crystal structures of intermediates and products","CrystEngComm","2015","17","12","2523","","10.1039/C5CE00038F","","","0.71073","MoKα","","0.1557","0.0705","","","0.1271","0.1574","","","","","","1.01","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219682","9.188","0.005","13.284","0.007","14.477","0.008","68.21","0.05","81.24","0.04","75.69","0.04","1586.2","1.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H8 Br2 N2 O5 -","- C14 H8 Br2 N2 O5 -","- C56 H32 Br8 N8 O20 -","4","2","","Colaço, Melwin; Dubois, Jean; Wouters, Johan","Mechanochemical synthesis of phthalimides with crystal structures of intermediates and products","CrystEngComm","2015","17","12","2523","","10.1039/C5CE00038F","","","0.71073","MoKα","","0.1287","0.0654","","","0.1146","0.1365","","","","","","1.038","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219683","3.8289","0.0001","23.3314","0.0007","7.4554","0.0002","90","","98.153","0.003","90","","659.29","0.03","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H10 N2 O5 -","- C15 H10 N2 O5 -","- C30 H20 N4 O10 -","2","1","","Colaço, Melwin; Dubois, Jean; Wouters, Johan","Mechanochemical synthesis of phthalimides with crystal structures of intermediates and products","CrystEngComm","2015","17","12","2523","","10.1039/C5CE00038F","","","1.54184","CuKα","","0.0272","0.027","","","0.0746","0.0749","","","","","","1.085","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219684","14.8231","0.0009","7.7177","0.0006","25.714","0.002","90","","97.692","0.007","90","","2915.2","0.4","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C14 H6 Br2 N2 O4 -","- C14 H6 Br2 N2 O4 -","- C112 H48 Br16 N16 O32 -","8","1","","Colaço, Melwin; Dubois, Jean; Wouters, Johan","Mechanochemical synthesis of phthalimides with crystal structures of intermediates and products","CrystEngComm","2015","17","12","2523","","10.1039/C5CE00038F","","","0.71073","MoKα","","0.105","0.0491","","","0.1076","0.133","","","","","","0.964","","","","has coordinates,has disorder","180527","2020-10-21","18:00:00",""
"7219685","14.0897","0.0003","4.8183","0.0001","22.6757","0.0003","90","","90.607","0.002","90","","1539.33","0.05","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H8 Br2 N2 O5 -","- C14 H8 Br2 N2 O5 -","- C56 H32 Br8 N8 O20 -","4","1","","Colaço, Melwin; Dubois, Jean; Wouters, Johan","Mechanochemical synthesis of phthalimides with crystal structures of intermediates and products","CrystEngComm","2015","17","12","2523","","10.1039/C5CE00038F","","","1.54184","CuKα","","0.0497","0.0465","","","0.1249","0.1289","","","","","","1.077","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219686","6.975","0.0012","3.876","0.001","23.998","0.003","90","","91.227","0.012","90","","648.6","0.2","293","2","293","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C15 H10 N2 O5 -","- C15 H10 N2 O5 -","- C30 H20 N4 O10 -","2","1","","Colaço, Melwin; Dubois, Jean; Wouters, Johan","Mechanochemical synthesis of phthalimides with crystal structures of intermediates and products","CrystEngComm","2015","17","12","2523","","10.1039/C5CE00038F","","","0.71073","MoKα","","0.0839","0.0724","","","0.2049","0.2172","","","","","","1.14","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219687","59.519","0.002","12.942","0.005","7.623","0.002","90","","90","","90","","5872","3","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C15 H14 N2 O6 -","- C15 H14 N2 O6 -","- C240 H224 N32 O96 -","16","1","","Colaço, Melwin; Dubois, Jean; Wouters, Johan","Mechanochemical synthesis of phthalimides with crystal structures of intermediates and products","CrystEngComm","2015","17","12","2523","","10.1039/C5CE00038F","","","0.71073","MoKα","","0.0503","0.0433","","","0.0973","0.1012","","","","","","1.012","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219688","14.2831","0.0002","29.8625","0.0004","18.2631","0.0003","90","","106.968","0.0017","90","","7450.6","0.2","291","2","291.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C81 H74 Ce2 N4 O24 -","- C81 H67 Ce2 N4 O24 -","- C324 H268 Ce8 N16 O96 -","4","1","","Zhang, Lina; Zhang, Chao; Zhang, Bin; Du, Chenxia; Hou, Hongwei","Two series of pH-dependent lanthanide complexes showing solvent-induced single crystal to single crystal transformation, sorption and luminescence properties","CrystEngComm","2015","17","14","2837","","10.1039/C5CE00263J","","","1.5418","CuKα","","0.0449","0.038","","","0.1012","0.1063","","","","","","1.029","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219689","14.26463","0.00015","29.8504","0.0003","18.2812","0.0002","90","","107.012","0.0012","90","","7443.61","0.14","291","2","291.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C79.5 H71.5 N3.5 O24 Pr2 -","- C79.5 H63.5 N3.5 O24 Pr2 -","- C318 H254 N14 O96 Pr8 -","4","1","","Zhang, Lina; Zhang, Chao; Zhang, Bin; Du, Chenxia; Hou, Hongwei","Two series of pH-dependent lanthanide complexes showing solvent-induced single crystal to single crystal transformation, sorption and luminescence properties","CrystEngComm","2015","17","14","2837","","10.1039/C5CE00263J","","","0.7107","MoKα","","0.0514","0.0369","","","0.0812","0.0873","","","","","","1.017","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219690","14.21191","0.00016","29.7396","0.0003","18.3087","0.0003","90","","107.002","0.0014","90","","7400.11","0.17","291","2","291.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C79.5 H71.5 N3.5 Nd2 O24 -","- C79.5 H63 N3.5 Nd2 O24 -","- C318 H252 N14 Nd8 O96 -","4","1","","Zhang, Lina; Zhang, Chao; Zhang, Bin; Du, Chenxia; Hou, Hongwei","Two series of pH-dependent lanthanide complexes showing solvent-induced single crystal to single crystal transformation, sorption and luminescence properties","CrystEngComm","2015","17","14","2837","","10.1039/C5CE00263J","","","1.5418","CuKα","","0.0558","0.0409","","","0.0988","0.1067","","","","","","1.017","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219691","14.1785","0.0002","29.6106","0.0004","18.3573","0.0003","90","","107.029","0.0017","90","","7369.1","0.2","291","2","291.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C79.5 H71.5 N3.5 O24 Sm2 -","- C79.5 H64 N3.5 O24 Sm2 -","- C318 H256 N14 O96 Sm8 -","4","1","","Zhang, Lina; Zhang, Chao; Zhang, Bin; Du, Chenxia; Hou, Hongwei","Two series of pH-dependent lanthanide complexes showing solvent-induced single crystal to single crystal transformation, sorption and luminescence properties","CrystEngComm","2015","17","14","2837","","10.1039/C5CE00263J","","","0.7107","MoKα","","0.062","0.0393","","","0.0829","0.0917","","","","","","1.019","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219692","14.1379","0.00015","29.5535","0.0003","18.3735","0.0003","90","","107.03","0.0013","90","","7340.29","0.17","291","2","291.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C79.5 H71.5 Eu2 N3.5 O24 -","- C79.5 H66 Eu2 N3.5 O24 -","- C318 H264 Eu8 N14 O96 -","4","1","","Zhang, Lina; Zhang, Chao; Zhang, Bin; Du, Chenxia; Hou, Hongwei","Two series of pH-dependent lanthanide complexes showing solvent-induced single crystal to single crystal transformation, sorption and luminescence properties","CrystEngComm","2015","17","14","2837","","10.1039/C5CE00263J","","","0.7107","MoKα","","0.0475","0.0356","","","0.0762","0.081","","","","","","1.04","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219693","14.1188","0.00017","29.5116","0.0003","18.3851","0.0003","90","","107.017","0.0014","90","","7325.1","0.17","291","2","291.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C79.5 H71.5 Gd2 N3.5 O24 -","- C79.5 H67 Gd2 N3.5 O24 -","- C318 H268 Gd8 N14 O96 -","4","1","","Zhang, Lina; Zhang, Chao; Zhang, Bin; Du, Chenxia; Hou, Hongwei","Two series of pH-dependent lanthanide complexes showing solvent-induced single crystal to single crystal transformation, sorption and luminescence properties","CrystEngComm","2015","17","14","2837","","10.1039/C5CE00263J","","","0.7107","MoKα","","0.0477","0.0342","","","0.0746","0.0802","","","","","","1.042","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219694","14.0878","0.0003","29.4702","0.0007","18.4237","0.0004","90","","107.034","0.002","90","","7313.4","0.3","291","2","291.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C79.5 H71.5 N3.5 O24 Tb2 -","- C79.5 H66 N3.5 O24 Tb2 -","- C318 H264 N14 O96 Tb8 -","4","1","","Zhang, Lina; Zhang, Chao; Zhang, Bin; Du, Chenxia; Hou, Hongwei","Two series of pH-dependent lanthanide complexes showing solvent-induced single crystal to single crystal transformation, sorption and luminescence properties","CrystEngComm","2015","17","14","2837","","10.1039/C5CE00263J","","","0.7107","MoKα","","0.0658","0.0387","","","0.0787","0.0872","","","","","","0.996","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219695","14.042","0.003","29.367","0.006","18.456","0.004","90","","107.15","0.03","90","","7272","3","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C78 H71 Ho2 N3 O25 -","- C78 H69 Ho2 N3 O25 -","- C312 H276 Ho8 N12 O100 -","4","1","","Zhang, Lina; Zhang, Chao; Zhang, Bin; Du, Chenxia; Hou, Hongwei","Two series of pH-dependent lanthanide complexes showing solvent-induced single crystal to single crystal transformation, sorption and luminescence properties","CrystEngComm","2015","17","14","2837","","10.1039/C5CE00263J","","","0.71073","MoKα","","0.0824","0.0686","","","0.1334","0.1402","","","","","","1.168","","","","has coordinates,has disorder","180527","2020-10-21","18:00:00",""
"7219696","14.0233","0.0004","29.311","0.0008","18.4183","0.0009","90","","107.095","0.004","90","","7236.1","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C78 H71 Er2 N3 O25 -","- C78 H69 Er2 N3 O25 -","- C312 H276 Er8 N12 O100 -","4","1","","Zhang, Lina; Zhang, Chao; Zhang, Bin; Du, Chenxia; Hou, Hongwei","Two series of pH-dependent lanthanide complexes showing solvent-induced single crystal to single crystal transformation, sorption and luminescence properties","CrystEngComm","2015","17","14","2837","","10.1039/C5CE00263J","","","1.5418","CuKα","","0.0453","0.0358","","","0.0901","0.0954","","","","","","1.021","","","","has coordinates,has disorder","180527","2020-10-21","18:00:00",""
"7219697","14.0088","0.0004","29.2317","0.0006","18.4902","0.0005","90","","107.187","0.003","90","","7233.6","0.3","291","2","291.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C78 H71 N3 O25 Yb2 -","- C78 H67 N3 O25 Yb2 -","- C312 H268 N12 O100 Yb8 -","4","1","","Zhang, Lina; Zhang, Chao; Zhang, Bin; Du, Chenxia; Hou, Hongwei","Two series of pH-dependent lanthanide complexes showing solvent-induced single crystal to single crystal transformation, sorption and luminescence properties","CrystEngComm","2015","17","14","2837","","10.1039/C5CE00263J","","","0.7107","MoKα","","0.1236","0.0654","","","0.0991","0.1177","","","","","","1.008","","","","has coordinates,has disorder","180527","2020-10-21","18:00:00",""
"7219698","19.0994","0.0002","14.41797","0.00017","30.593","0.0005","90","","90","","90","","8424.53","0.19","291","2","291.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C84 H83 Ho2 N5 O26 -","- C84 H75 Ho2 N5 O26 -","- C336 H300 Ho8 N20 O104 -","4","1","","Zhang, Lina; Zhang, Chao; Zhang, Bin; Du, Chenxia; Hou, Hongwei","Two series of pH-dependent lanthanide complexes showing solvent-induced single crystal to single crystal transformation, sorption and luminescence properties","CrystEngComm","2015","17","14","2837","","10.1039/C5CE00263J","","","0.7107","MoKα","","0.042","0.0348","","","0.0848","0.0897","","","","","","1.056","","","","has coordinates,has disorder","180527","2020-10-21","18:00:00",""
"7219699","19.0983","0.0003","14.4221","0.0003","30.556","0.001","90","","90","","90","","8416.3","0.4","291","2","291.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C84 H83 Er2 N5 O26 -","- C84 H81 Er2 N5 O26 -","- C336 H324 Er8 N20 O104 -","4","1","","Zhang, Lina; Zhang, Chao; Zhang, Bin; Du, Chenxia; Hou, Hongwei","Two series of pH-dependent lanthanide complexes showing solvent-induced single crystal to single crystal transformation, sorption and luminescence properties","CrystEngComm","2015","17","14","2837","","10.1039/C5CE00263J","","","0.7107","MoKα","","0.0612","0.0423","","","0.093","0.1022","","","","","","1.045","","","","has coordinates,has disorder","180527","2020-10-21","18:00:00",""
"7219700","19.08923","0.00019","14.38724","0.00017","30.5462","0.0004","90","","90","","90","","8389.25","0.17","291","2","291.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C84 H83 N5 O26 Yb2 -","- C84 H74 N5 O26 Yb2 -","- C336 H296 N20 O104 Yb8 -","4","1","","Zhang, Lina; Zhang, Chao; Zhang, Bin; Du, Chenxia; Hou, Hongwei","Two series of pH-dependent lanthanide complexes showing solvent-induced single crystal to single crystal transformation, sorption and luminescence properties","CrystEngComm","2015","17","14","2837","","10.1039/C5CE00263J","","","0.7107","MoKα","","0.0478","0.0408","","","0.094","0.0981","","","","","","1.043","","","","has coordinates,has disorder","180528","2020-10-21","18:00:00",""
"7219701","7.4117","0.0004","12.1658","0.0006","14.2115","0.0007","85.918","0.003","77.087","0.003","77.944","0.003","1221.08","0.11","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H25 N3 O8 -","- C27 H25 N3 O8 -","- C54 H50 N6 O16 -","2","1","","Kim, Doeon; Kim, Byung Joo; Noh, Tae Hwan; Jung, Ok-Sang","New topological 3D copper(ii) coordination networks: catechol oxidation catalysis and solvent adsorption via porous properties","CrystEngComm","2015","17","12","2583","","10.1039/C5CE00087D","","","0.71073","MoKα","","0.0693","0.0454","","","0.1023","0.1167","","","","","","1.024","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219702","41.1895","0.0011","20.6334","0.0004","27.0979","0.0008","90","","129.772","0.003","90","","17700.7","1.1","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C120 H102 Cl6 Cu3 N18 O48 -","- C120 H102 Cl6 Cu3 N18 O48 -","- C480 H408 Cl24 Cu12 N72 O192 -","4","0.5","","Kim, Doeon; Kim, Byung Joo; Noh, Tae Hwan; Jung, Ok-Sang","New topological 3D copper(ii) coordination networks: catechol oxidation catalysis and solvent adsorption via porous properties","CrystEngComm","2015","17","12","2583","","10.1039/C5CE00087D","","","0.71073","MoKα","","0.1775","0.0942","","","0.2682","0.2965","","","","","","0.951","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219703","20.6958","0.0005","27.2441","0.0009","31.2425","0.0007","90","","90","","90","","17615.7","0.8","293","2","293","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C120 H102 Cu3 N18 O24 -","- C118 H102 Cu3 N17 O24 -","- C472 H408 Cu12 N68 O96 -","4","0.25","","Kim, Doeon; Kim, Byung Joo; Noh, Tae Hwan; Jung, Ok-Sang","New topological 3D copper(ii) coordination networks: catechol oxidation catalysis and solvent adsorption via porous properties","CrystEngComm","2015","17","12","2583","","10.1039/C5CE00087D","","","0.71073","MoKα","","0.258","0.0864","","","0.2338","0.272","","","","","","0.851","","","","has coordinates,has disorder","180528","2020-10-21","18:00:00",""
"7219704","20.9882","0.0003","43.6525","0.0006","24.5435","0.0003","90","","111.671","0.001","90","","20897.1","0.5","150","2","150","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","[Co28(C40H44S4O4)6(C2N3H2S)8(C4N6H2S2)4(SO4)Cl10(OH)4(CH3OH)4(H2O)6]","","","- C283 H348 Cl10 Co28 N48 O49 S41 -","- C276 H292 Cl10 Co28 N48 O42 S41 -","- C552 H584 Cl20 Co56 N96 O84 S82 -","2","0.5","","Wang, Shentang; Bi, Yanfeng; Liao, Wuping","Constructing calixarene-supported high nuclearity Co27, Co28and Ni18Na6clusters with triazoles as co-bridges","CrystEngComm","2015","17","14","2896","","10.1039/C5CE00314H","","","0.71073","MoKα","","0.1156","0.0823","","","0.2396","0.26","","","","","","1.074","","","","has coordinates,has disorder","201370","2020-10-21","18:00:00",""
"7219705","37.682","0.003","45.19","0.003","24.565","0.0017","90","","90","","90","","41830","5","192","2","192","2","","","","","","","","7","P n m a","-P 2ac 2n","62","[Co27(C40H44S4O4)6(C2N3H2S)8(C4N6H2S2)4(CO3)0.25(SO3)0.75Cl10(OH)2(CH3OH)2(H2O)4]","","","- C284.25 H322 Cl34 Co27 N48 O37 S40.75 -","- C274.25 H286 Cl10 Co27 N48 O35 S40.75 -","- C1097 H1144 Cl40 Co108 N192 O140 S163 -","4","0.5","","Wang, Shentang; Bi, Yanfeng; Liao, Wuping","Constructing calixarene-supported high nuclearity Co27, Co28and Ni18Na6clusters with triazoles as co-bridges","CrystEngComm","2015","17","14","2896","","10.1039/C5CE00314H","","","0.71073","MoKα","","0.1091","0.0946","","","0.2606","0.2744","","","","","","1.057","","","","has coordinates,has disorder","180528","2020-10-21","18:00:00",""
"7219706","37.033","0.007","45.29","0.009","24.166","0.005","90","","90","","90","","40532","14","150","2","150","2","","","","","","","","7","P n m a","-P 2ac 2n","62","[Co28(C40H44S4O4)6(C2N3H2)16(CO3)Cl11(OH)3(CH3OH)2(H2O)6]","","","- C283 H351 Cl11 Co28 N48 O46 S24 -","- C275 H302 Cl11 Co28 N48 O38 S24 -","- C1100 H1208 Cl44 Co112 N192 O152 S96 -","4","0.5","","Wang, Shentang; Bi, Yanfeng; Liao, Wuping","Constructing calixarene-supported high nuclearity Co27, Co28and Ni18Na6clusters with triazoles as co-bridges","CrystEngComm","2015","17","14","2896","","10.1039/C5CE00314H","","","0.71073","MoKα","","0.0998","0.0654","","","0.1749","0.1919","","","","","","1.032","","","","has coordinates,has disorder","180528","2020-10-21","18:00:00",""
"7219707","23.34","0.003","23.34","0.003","55.409","0.011","90","","90","","120","","26140","7","293","2","293","2","","","","","","","","8","R -3 :H","-R 3","148","[Ni18Na6Cl6(C40H44S4O4)6(C2N3HS)6(H2O)6]","","","- C258 H294 Cl18 N18 Na6 Ni18 O32 S30 -","- C252 H270 Cl6 N18 Na6 Ni18 O30 S30 -","- C756 H810 Cl18 N54 Na18 Ni54 O90 S90 -","3","0.166667","","Wang, Shentang; Bi, Yanfeng; Liao, Wuping","Constructing calixarene-supported high nuclearity Co27, Co28and Ni18Na6clusters with triazoles as co-bridges","CrystEngComm","2015","17","14","2896","","10.1039/C5CE00314H","","","0.71073","MoKα","","0.1279","0.1047","","","0.2798","0.3015","","","","","","1.181","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219713","17.9446","0.0005","11.1704","0.0003","27.228","0.0008","90","","90","","90","","5457.8","0.3","200","2","200","2","","","","","","","","6","P b c n","-P 2n 2ab","60","a14269","Compound 1","","- C51 H47 Mn2 N9 O11 S4 -","- C51 H47 Mn2 N9 O11 S4 -","- C204 H188 Mn8 N36 O44 S16 -","4","0.5","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Shih, Ying-Ru; Shen, Jing-Wen; Lee, Li-Wei; Chiang, Ming-Hsi; Lu, Kuang-Lieh","Self-triggered conformations of disulfide ensembles in coordination polymers with multiple metal clusters","CrystEngComm","2015","17","14","2847","","10.1039/C4CE02421D","","","0.71073","MoKα","","0.0331","0.0272","","","0.0646","0.0682","","","","","","1.057","","","","has coordinates,has disorder","180528","2020-10-21","18:00:00",""
"7219714","11.8071","0.0015","29.765","0.004","13.1818","0.0016","90","","110.456","0.002","90","","4340.5","1","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","ch14263","Compound 2","","- C150 H162 Mn6 N30 O38 S12 -","- C150 H154 Mn6 N30 O38 S12 -","- C150 H154 Mn6 N30 O38 S12 -","1","0.5","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Shih, Ying-Ru; Shen, Jing-Wen; Lee, Li-Wei; Chiang, Ming-Hsi; Lu, Kuang-Lieh","Self-triggered conformations of disulfide ensembles in coordination polymers with multiple metal clusters","CrystEngComm","2015","17","14","2847","","10.1039/C4CE02421D","","","0.71073","MoKα","","0.0848","0.0576","","","0.149","0.176","","","","","","1.064","","","","has coordinates,has disorder","180528","2020-10-21","18:00:00",""
"7219715","12.1946","0.0007","12.5819","0.0009","14.6838","0.0009","72.43","0.004","69.157","0.004","62.887","0.004","1847.5","0.2","200","2","200","2","","","","","","","","6","P -1","-P 1","2","ch14268","Compound 3","","- C72 H44 Mn3 N12 O17 S8 -","- C72 H42 Mn3 N12 O17 S8 -","- C72 H42 Mn3 N12 O17 S8 -","1","0.5","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Shih, Ying-Ru; Shen, Jing-Wen; Lee, Li-Wei; Chiang, Ming-Hsi; Lu, Kuang-Lieh","Self-triggered conformations of disulfide ensembles in coordination polymers with multiple metal clusters","CrystEngComm","2015","17","14","2847","","10.1039/C4CE02421D","","","0.71073","MoKα","","0.1123","0.0563","","","0.1435","0.1966","","","","","","1.026","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219716","13.498","0.014","15.22","0.016","20.51","0.02","90.775","0.013","97.172","0.018","111.158","0.013","3891","7","200","2","200","2","","","","","","","","6","P -1","-P 1","2","a15483","Compound 4","","- C114 H162 Mn6 N26 O52 S12 -","- C84 H72 Mn6 N16 O32 S12 -","- C84 H72 Mn6 N16 O32 S12 -","1","0.5","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Shih, Ying-Ru; Shen, Jing-Wen; Lee, Li-Wei; Chiang, Ming-Hsi; Lu, Kuang-Lieh","Self-triggered conformations of disulfide ensembles in coordination polymers with multiple metal clusters","CrystEngComm","2015","17","14","2847","","10.1039/C4CE02421D","","","0.71073","MoKα","","0.2078","0.088","","","0.1794","0.1978","","","","","","0.912","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219717","22.739","0.005","16.038","0.003","9.7046","0.0019","90","","94","0.03","90","","3530.5","1.2","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","i14732","Compound 5","","- C28 H34 Mn2 N4 O15 S4 -","- C27.98 H29.94 Mn2 N4 O14.98 S4 -","- C111.92 H119.76 Mn8 N16 O59.92 S16 -","4","0.5","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Shih, Ying-Ru; Shen, Jing-Wen; Lee, Li-Wei; Chiang, Ming-Hsi; Lu, Kuang-Lieh","Self-triggered conformations of disulfide ensembles in coordination polymers with multiple metal clusters","CrystEngComm","2015","17","14","2847","","10.1039/C4CE02421D","","","0.71073","MoKα","","0.0503","0.0401","","","0.093","0.099","","","","","","1.03","","","","has coordinates,has disorder","180528","2020-10-21","18:00:00",""
"7219718","9.0044","0.0011","6.6957","0.0008","17.835","0.002","90","","90","","90","","1075.3","0.2","120","2","120","2","","","","","","","","6","P n m a","-P 2ac 2n","62","[(mbtt)ICl]","[(N-methylbenzothiazole-2-thione)ICl]","","- C8 H7 Cl I N S2 -","- C8 H7 Cl I N S2 -","- C32 H28 Cl4 I4 N4 S8 -","4","0.5","","Koskinen, L.; Hirva, P.; Hasu, A.; Jääskeläinen, S.; Koivistoinen, J.; Pettersson, M.; Haukka, M.","Modification of the supramolecular structure of [(thione)IY] (Y = Cl, Br) systems by cooperation of strong halogen bonds and hydrogen bonds","CrystEngComm","2015","17","13","2718","","10.1039/C4CE02449D","","","0.71073","MoKα","","0.0195","0.0163","","","0.0364","0.0372","","","","","","1.093","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219719","12.4376","0.0002","21.0096","0.0004","4.22389","0.00008","90","","90","","90","","1103.74","0.03","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","[(mbtt)IBr]","[(N-methylbenzothiazole-2-thione)IBr]","","- C8 H7 Br I N S2 -","- C8 H7 Br I N S2 -","- C32 H28 Br4 I4 N4 S8 -","4","1","","Koskinen, L.; Hirva, P.; Hasu, A.; Jääskeläinen, S.; Koivistoinen, J.; Pettersson, M.; Haukka, M.","Modification of the supramolecular structure of [(thione)IY] (Y = Cl, Br) systems by cooperation of strong halogen bonds and hydrogen bonds","CrystEngComm","2015","17","13","2718","","10.1039/C4CE02449D","","","1.54184","CuKα","","0.0326","0.0314","","","0.0713","0.0721","","","","","","1.033","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219720","4.02223","0.00007","9.29376","0.00017","25.296","0.0005","90","","90","","90","","945.61","0.03","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","[(btt)ICl]","[(2(3)H-benzothiazole-thione)ICl]","","- C7 H5 Cl I N S2 -","- C7 H5 Cl I N S2 -","- C28 H20 Cl4 I4 N4 S8 -","4","1","","Koskinen, L.; Hirva, P.; Hasu, A.; Jääskeläinen, S.; Koivistoinen, J.; Pettersson, M.; Haukka, M.","Modification of the supramolecular structure of [(thione)IY] (Y = Cl, Br) systems by cooperation of strong halogen bonds and hydrogen bonds","CrystEngComm","2015","17","13","2718","","10.1039/C4CE02449D","","","1.54184","CuKα","","0.0242","0.0239","","","0.0602","0.0605","","","","","","1.069","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219721","4.0618","0.00009","9.44353","0.00018","25.4237","0.0004","90","","90","","90","","975.2","0.03","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","[(btt)IBr]","[(2(3)H-benzothiazole-thione)IBr]","","- C7 H5 Br I N S2 -","- C7 H5 Br I N S2 -","- C28 H20 Br4 I4 N4 S8 -","4","1","","Koskinen, L.; Hirva, P.; Hasu, A.; Jääskeläinen, S.; Koivistoinen, J.; Pettersson, M.; Haukka, M.","Modification of the supramolecular structure of [(thione)IY] (Y = Cl, Br) systems by cooperation of strong halogen bonds and hydrogen bonds","CrystEngComm","2015","17","13","2718","","10.1039/C4CE02449D","","","1.54178","CuKα","","0.0152","0.0149","","","0.0336","0.0337","","","","","","1.046","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219727","10.1894","0.0013","10.3988","0.0013","21.838","0.002","92.912","0.009","103.316","0.01","111.412","0.012","2072.9","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H36 N4 O11 Zn -","- C48 H36 N4 O11 Zn -","- C96 H72 N8 O22 Zn2 -","2","1","","Cao, Xinyu; Li, Ling; Li, Changxia; Lv, Lei; Huang, Rudan","Functionalities and architectures of coordination polymers with multi-dimensionalities via transition metal‒dicarboxylate ligands","CrystEngComm","2015","17","11","2398","","10.1039/C5CE00085H","","","0.71073","MoKα","","0.147","0.0647","","","0.0746","0.1058","","","","","","0.932","","","","has coordinates,has disorder","180528","2020-10-21","18:00:00",""
"7219728","9.9601","0.0005","32.5682","0.0013","12.23","0.0005","90","","107.435","0.002","90","","3784.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C86 H66 Co3 N6 O24 -","- C86 H66 Co3 N6 O24 -","- C172 H132 Co6 N12 O48 -","2","0.5","","Cao, Xinyu; Li, Ling; Li, Changxia; Lv, Lei; Huang, Rudan","Functionalities and architectures of coordination polymers with multi-dimensionalities via transition metal‒dicarboxylate ligands","CrystEngComm","2015","17","11","2398","","10.1039/C5CE00085H","","","0.71073","MoKα","","0.0633","0.0414","","","0.0831","0.0933","","","","","","1.048","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219729","12.3741","0.0006","11.3562","0.0005","13.6838","0.0008","90","","107.309","0.002","90","","1835.81","0.16","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C38 H34 Co N2 O14 -","- C38 H34 Co N2 O14 -","- C76 H68 Co2 N4 O28 -","2","0.5","","Cao, Xinyu; Li, Ling; Li, Changxia; Lv, Lei; Huang, Rudan","Functionalities and architectures of coordination polymers with multi-dimensionalities via transition metal‒dicarboxylate ligands","CrystEngComm","2015","17","11","2398","","10.1039/C5CE00085H","","","0.71073","MoKα","","0.0639","0.0437","","","0.0951","0.1084","","","","","","1.029","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219730","5.4081","0.0002","15.5202","0.0008","13.3407","0.0006","90","","100.649","0.002","90","","1100.46","0.09","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1,8-bis(3-methylimidazolium-1-yl)","1,8-bis(3-methylimidazolium-1-yl) octane tetrafluorborate","","- C16 H28 B2 F8 N4 -","- C16 H28 B2 F8 N4 -","- C32 H56 B4 F16 N8 -","2","0.5","","Frizzo, C. P.; Bender, C. R.; Tier, A. Z.; Gindri, I. M.; Salbego, P. R. S.; Meyer, A. R.; Martins, M. A. P.","Energetic and topological insights into the supramolecular structure of dicationic ionic liquids","CrystEngComm","2015","17","15","2996","","10.1039/C5CE00073D","","","0.71073","MoKα","","0.0974","0.0686","","","0.2104","0.2399","","","","","","1.069","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7219754","17.3964","0.0014","11.7965","0.001","6.9851","0.0005","90","","90","","90","","1433.5","0.2","298","2","298","2","","","","","","","","5","P b c 21","P 2c -2b","29","Piroxicam: Form Alpha1","Piroxicam","","- C15 H13 N3 O4 S -","- C15 H13 N3 O4 S -","- C60 H52 N12 O16 S4 -","4","1","","Upadhyay, Pratik P.; Bond, Andrew D.","Crystallization and disorder of the polytypic α1and α2polymorphs of piroxicam","CrystEngComm","2015","17","28","5266","","10.1039/C5CE00050E","","","1.54178","CuKα","","0.0812","0.0545","","","0.1097","0.1213","","","","","","1.117","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219755","17.577","0.003","11.745","0.002","6.8516","0.0014","90","","98.07","0.01","90","","1400.5","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Piroxicam: Form Alpha2","Piroxicam","","- C15 H13 N3 O4 S -","- C15 H13 N3 O4 S -","- C60 H52 N12 O16 S4 -","4","1","","Upadhyay, Pratik P.; Bond, Andrew D.","Crystallization and disorder of the polytypic α1and α2polymorphs of piroxicam","CrystEngComm","2015","17","28","5266","","10.1039/C5CE00050E","","","1.54178","CuKα","","0.1357","0.1004","","","0.2381","0.2586","","","","","","1.078","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219769","10.3992","0.0009","21.9601","0.0018","10.45","0.0009","90","","91.022","0.002","90","","2386.1","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 Cd F6 N8 O2 Si -","- C18 H24 Cd F6 N8 O2 Si -","- C72 H96 Cd4 F24 N32 O8 Si4 -","4","1","","Yang, Xiao; Wang, Yu; Zhou, Hao-Long; Liu, Yi-Jiang; He, Chun-Ting; Lin, Rui-Biao; Zhang, Jie-Peng","Guest-containing supramolecular isomers of silver(i) 3,5-dialkyl-1,2,4-triazolates: syntheses, structures, and structural transformation behaviours","CrystEngComm","2015","17","46","8843","","10.1039/C5CE00004A","","","0.71073","MoKα","","0.045","0.0274","","","0.0641","0.0746","","","","","","1.068","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219770","10.9995","0.0012","8.8942","0.001","11.9732","0.0014","90","","108.727","0.002","90","","1109.3","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 Br2 Cu N8 O2 -","- C18 H20 Br2 Cu N8 O2 -","- C36 H40 Br4 Cu2 N16 O4 -","2","0.5","","Yang, Xiao; Wang, Yu; Zhou, Hao-Long; Liu, Yi-Jiang; He, Chun-Ting; Lin, Rui-Biao; Zhang, Jie-Peng","Guest-containing supramolecular isomers of silver(i) 3,5-dialkyl-1,2,4-triazolates: syntheses, structures, and structural transformation behaviours","CrystEngComm","2015","17","46","8843","","10.1039/C5CE00004A","","","0.71073","MoKα","","0.0489","0.0426","","","0.0918","0.0943","","","","","","1.075","","","","has coordinates,has disorder","180528","2020-10-21","18:00:00",""
"7219771","10.4169","0.0009","21.292","0.002","10.4629","0.0009","90","","90.216","0.002","90","","2320.6","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 Cu F6 N8 O2 Si -","- C18 H24 Cu F6 N8 O2 Si -","- C72 H96 Cu4 F24 N32 O8 Si4 -","4","1","","Yang, Xiao; Wang, Yu; Zhou, Hao-Long; Liu, Yi-Jiang; He, Chun-Ting; Lin, Rui-Biao; Zhang, Jie-Peng","Guest-containing supramolecular isomers of silver(i) 3,5-dialkyl-1,2,4-triazolates: syntheses, structures, and structural transformation behaviours","CrystEngComm","2015","17","46","8843","","10.1039/C5CE00004A","","","0.71073","MoKα","","0.0912","0.0829","","","0.1865","0.1907","","","","","","1.046","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219772","8.3592","0.0007","8.5498","0.0007","11.5516","0.0009","111.219","0.002","106.893","0.001","92.67","0.002","725.67","0.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H12 B2 Cu F8 N24 -","- C12 H12 B2 Cu F8 N24 -","- C12 H12 B2 Cu F8 N24 -","1","0.5","","Yang, Xiao; Wang, Yu; Zhou, Hao-Long; Liu, Yi-Jiang; He, Chun-Ting; Lin, Rui-Biao; Zhang, Jie-Peng","Guest-containing supramolecular isomers of silver(i) 3,5-dialkyl-1,2,4-triazolates: syntheses, structures, and structural transformation behaviours","CrystEngComm","2015","17","46","8843","","10.1039/C5CE00004A","","","0.71073","MoKα","","0.0698","0.0663","","","0.1771","0.1809","","","","","","1.072","","","","has coordinates,has disorder","180528","2020-10-21","18:00:00",""
"7219773","6.9597","0.0011","6.8943","0.0011","18.317","0.003","90","","96.213","0.004","90","","873.7","0.2","296","2","296","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C4 H21.5 Cu2 N8 O13.75 S -","- C4 H21.5 Cu2 N8 O13.75 S -","- C8 H43 Cu4 N16 O27.5 S2 -","2","1","","Yang, Xiao; Wang, Yu; Zhou, Hao-Long; Liu, Yi-Jiang; He, Chun-Ting; Lin, Rui-Biao; Zhang, Jie-Peng","Guest-containing supramolecular isomers of silver(i) 3,5-dialkyl-1,2,4-triazolates: syntheses, structures, and structural transformation behaviours","CrystEngComm","2015","17","46","8843","","10.1039/C5CE00004A","","","0.71073","MoKα","","0.037","0.0304","","","0.0698","0.0734","","","","","","1.048","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219774","8.0475","0.0005","11.7191","0.0007","12.4796","0.0008","90","","93.93","0.001","90","","1174.18","0.13","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H10 Cl2 Fe N8 O3 -","- C4 H10 Cl2 Fe N8 O3 -","- C16 H40 Cl8 Fe4 N32 O12 -","4","1","","Yang, Xiao; Wang, Yu; Zhou, Hao-Long; Liu, Yi-Jiang; He, Chun-Ting; Lin, Rui-Biao; Zhang, Jie-Peng","Guest-containing supramolecular isomers of silver(i) 3,5-dialkyl-1,2,4-triazolates: syntheses, structures, and structural transformation behaviours","CrystEngComm","2015","17","46","8843","","10.1039/C5CE00004A","","","0.71073","MoKα","","0.0233","0.0211","","","0.0473","0.0485","","","","","","1.083","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219775","6.512","0.001","6.901","0.001","9.328","0.002","95.448","0.01","108.706","0.008","108.09","0.008","368.51","0.12","240","2","240","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H14 Cu2 O14 -","- C10 H14 Cu2 O14 -","- C10 H14 Cu2 O14 -","1","0.5","","Clegg, William; Holcroft, James M.; Martin, Nicola C.","Copper pyromellitates: a complex story","CrystEngComm","2015","17","14","2857","","10.1039/C5CE00470E","","","0.71073","MoKα","","0.027","0.026","","","0.0688","0.07","","","","","","1.092","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219776","12.1518","0.0008","18.1413","0.0011","9.5816","0.0006","90","","113.503","0.002","90","","1937","0.2","160","2","160","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H22 Cu2 O18 -","- C10 H22 Cu2 O18 -","- C40 H88 Cu8 O72 -","4","0.5","","Clegg, William; Holcroft, James M.; Martin, Nicola C.","Copper pyromellitates: a complex story","CrystEngComm","2015","17","14","2857","","10.1039/C5CE00470E","","","0.71073","MoKα","","0.0266","0.0235","","","0.0593","0.0608","","","","","","1.084","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219777","6.7846","0.0004","10.9535","0.0006","10.6835","0.0006","90","","91.81","0.002","90","","793.55","0.08","160","2","160","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C10 H16 Cu O14 -","- C10 H16 Cu O14 -","- C20 H32 Cu2 O28 -","2","1","","Clegg, William; Holcroft, James M.; Martin, Nicola C.","Copper pyromellitates: a complex story","CrystEngComm","2015","17","14","2857","","10.1039/C5CE00470E","","","0.71073","MoKα","","0.0199","0.0191","","","0.0484","0.0488","","","","","","1.058","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219778","7.7391","0.0015","10.6004","0.0019","10.6159","0.0019","112.867","0.01","90.411","0.013","104.192","0.01","772.8","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H10 Cu K2 O12 -","- C10 H8 Cu K2 O12 -","- C20 H16 Cu2 K4 O24 -","2","1","","Clegg, William; Holcroft, James M.; Martin, Nicola C.","Copper pyromellitates: a complex story","CrystEngComm","2015","17","14","2857","","10.1039/C5CE00470E","","","0.71073","MoKα","","0.036","0.0285","","","0.0789","0.0837","","","","","","1.062","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219779","6.894","0.0005","16.3377","0.0011","12.9381","0.0009","90","","99.666","0.002","90","","1436.56","0.17","160","2","160","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 Cu Na2 O12 -","- C10 H10 Cu Na2 O12 -","- C40 H40 Cu4 Na8 O48 -","4","0.5","","Clegg, William; Holcroft, James M.; Martin, Nicola C.","Copper pyromellitates: a complex story","CrystEngComm","2015","17","14","2857","","10.1039/C5CE00470E","","","0.71073","MoKα","","0.0208","0.0205","","","0.0564","0.0565","","","","","","1.157","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219780","11.3114","0.001","11.5464","0.001","11.7074","0.0011","80.13","0.002","66.441","0.002","71.052","0.002","1324.1","0.2","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H80 Cu2 N4 O18 -","- C48 H80 Cu2 N4 O18 -","- C48 H80 Cu2 N4 O18 -","1","0.5","","Clegg, William; Holcroft, James M.; Martin, Nicola C.","Copper pyromellitates: a complex story","CrystEngComm","2015","17","14","2857","","10.1039/C5CE00470E","","","0.71073","MoKα","","0.1086","0.0735","","","0.1753","0.1927","","","","","","0.984","","","","has coordinates,has disorder","180528","2020-10-21","18:00:00",""
"7219781","11.5053","0.0011","11.5543","0.0011","12.016","0.0011","78.671","0.002","64.251","0.002","71.747","0.002","1362.9","0.2","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H84 Cu2 N4 O20 -","- C48 H84 Cu2 N4 O20 -","- C48 H84 Cu2 N4 O20 -","1","0.5","","Clegg, William; Holcroft, James M.; Martin, Nicola C.","Copper pyromellitates: a complex story","CrystEngComm","2015","17","14","2857","","10.1039/C5CE00470E","","","0.71073","MoKα","","0.0588","0.052","","","0.1342","0.1368","","","","","","1.055","","","","has coordinates,has disorder","180528","2020-10-21","18:00:00",""
"7219782","8.2343","0.0007","19.5788","0.0016","10.9336","0.0009","90","","100.371","0.002","90","","1733.9","0.2","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H46 Cu3 N12 O18 -","- C20 H46 Cu3 N12 O18 -","- C40 H92 Cu6 N24 O36 -","2","0.5","","Clegg, William; Holcroft, James M.; Martin, Nicola C.","Copper pyromellitates: a complex story","CrystEngComm","2015","17","14","2857","","10.1039/C5CE00470E","","","0.71073","MoKα","","0.0651","0.0451","","","0.0904","0.0981","","","","","","1.094","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219783","8.9464","0.0009","11.1622","0.0011","17.478","0.0017","82.36","0.002","81.293","0.002","82.365","0.002","1698.6","0.3","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H34 Cu2 N4 O14 -","- C30 H34 Cu2 N4 O14 -","- C60 H68 Cu4 N8 O28 -","2","1","","Clegg, William; Holcroft, James M.; Martin, Nicola C.","Copper pyromellitates: a complex story","CrystEngComm","2015","17","14","2857","","10.1039/C5CE00470E","","","0.71073","MoKα","","0.1394","0.0638","","","0.121","0.1489","","","","","","1.081","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219784","8.798","0.0003","10.648","0.0004","19.147","0.0008","94.84","0.003","90.453","0.003","110.355","0.004","1674.38","0.12","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H34 Cu2 N4 O11 -","- C33 H34 Cu2 N4 O11 -","- C66 H68 Cu4 N8 O22 -","2","1","","Clegg, William; Holcroft, James M.; Martin, Nicola C.","Copper pyromellitates: a complex story","CrystEngComm","2015","17","14","2857","","10.1039/C5CE00470E","","","0.71073","MoKα","","0.075","0.0451","","","0.0963","0.1039","","","","","","1.016","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219785","31.07","0.005","31.07","0.005","31.862","0.005","90","0.005","90","0.005","120","0.005","26637","7","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C36 H30 Cd Cl2 N12 O8 -","- C36 H30 Cd Cl2 N12 O8 -","- C648 H540 Cd18 Cl36 N216 O144 -","18","0.5","","Manna, Biplab; Desai, Aamod V.; Kumar, Naveen; Karmakar, Avishek; Ghosh, Sujit K.","Single-crystal-to-single-crystal transformation of an anion exchangeable dynamic metal‒organic framework","CrystEngComm","2015","17","46","8796","","10.1039/C5CE00139K","","","0.71069","MoKα","","0.0664","0.0622","","","0.1793","0.183","","","","","","1.049","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219786","18.938","0.008","16.008","0.007","15.549","0.011","90","","123.948","0.006","90","","3910","4","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C28 H32 Cd Cl2 N8 O11 -","- C28 H26 Cd Cl2 N8 O11 -","- C112 H104 Cd4 Cl8 N32 O44 -","4","1","","Manna, Biplab; Desai, Aamod V.; Kumar, Naveen; Karmakar, Avishek; Ghosh, Sujit K.","Single-crystal-to-single-crystal transformation of an anion exchangeable dynamic metal‒organic framework","CrystEngComm","2015","17","46","8796","","10.1039/C5CE00139K","","","0.71073","MoKα","","0.0833","0.0771","","","0.2159","0.231","","","","","","0.933","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219787","4.5622","0.0006","9.994","0.0012","11.5383","0.0012","90","","90.826","0.006","90","","526.03","0.11","100","","100","","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C26 H14 F8 N2 -","2","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.0274","0.0268","","","0.0717","0.0722","","","","","","1.078","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219788","13.5286","0.0009","3.7803","0.0003","21.0471","0.0012","90","","90","","90","","1076.39","0.13","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C52 H28 F16 N4 -","4","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.0413","0.0377","","","0.098","0.1006","","","","","","1.073","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219789","12.799","0.0019","6.5794","0.0008","25.265","0.004","90","","95.749","0.008","90","","2116.9","0.5","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C104 H56 F32 N8 -","8","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.0384","0.0319","","","0.0847","0.0887","","","","","","1.053","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219790","5.9148","0.0003","7.4926","0.0004","23.9195","0.0013","90","","93.722","0.002","90","","1057.81","0.1","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C52 H28 F16 N4 -","4","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MOKα","","0.0299","0.0265","","","0.0744","0.078","","","","","","1.055","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219791","25.7588","0.0017","3.7207","0.0003","22.6104","0.0016","90","","90.424","0.004","90","","2166.9","0.3","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C104 H56 F32 N8 -","8","2","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.0813","0.0698","","","0.2005","0.2283","","","","","","1.136","","","","has coordinates,has disorder","180528","2020-10-21","18:00:00",""
"7219792","12.496","0.005","3.71","0.0014","22.745","0.009","90","","93.123","0.005","90","","1052.9","0.7","100","","100","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C52 H28 F16 N4 -","4","2","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.081","0.0545","","","0.1247","0.1396","","","","","","1.016","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219793","25.983","0.002","7.316","0.0006","24.834","0.002","90","","113.707","0.005","90","","4322.4","0.6","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C208 H112 F64 N16 -","16","2","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.0794","0.0435","","","0.0961","0.111","","","","","","1.032","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219794","7.2368","0.0005","6.6503","0.0005","22.2218","0.0014","90","","97.167","0.003","90","","1061.11","0.13","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C52 H28 F16 N4 -","4","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MOKα","","0.0288","0.0272","","","0.0733","0.0748","","","","","","1.057","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219795","5.4757","0.0011","7.7423","0.0015","24.406","0.005","90","","90","","90","","1034.7","0.4","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C52 H28 F16 N4 -","4","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.0301","0.0272","","","0.0779","0.0945","","","","","","1.184","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219796","27.6959","0.0014","3.6849","0.0001","21.5993","0.001","90","","90","","90","","2204.35","0.16","100","","100","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C104 H56 F32 N8 -","8","2","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MOKα","","0.0562","0.0418","","","0.0953","0.1039","","","","","","1.037","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219797","6.8244","0.0006","7.6412","0.0007","10.8203","0.001","79.604","0.006","83.948","0.006","69.737","0.006","520.07","0.08","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C26 H14 F8 N2 -","2","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.0449","0.0392","","","0.1149","0.1299","","","","","","1.118","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219798","11.0553","0.0015","3.6976","0.0004","13.0135","0.0014","90","","98.716","0.004","90","","525.82","0.11","100","2","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C26 H14 F8 N2 -","2","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MOKα","","0.0906","0.0716","","","0.1691","0.1845","","","","","","1.058","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219799","6.8223","0.0008","7.5505","0.0008","11.2975","0.0014","80.541","0.007","86.409","0.007","66.173","0.007","525.11","0.11","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C26 H14 F8 N2 -","2","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MOKα","","0.0477","0.0342","","","0.0831","0.0909","","","","","","1.048","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219800","9.756","0.003","4.6737","0.0015","11.257","0.004","90","","99.132","0.017","90","","506.8","0.3","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C26 H14 F8 N2 -","2","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.0408","0.0368","","","0.0889","0.0911","","","","","","1.076","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219801","16.497","0.002","3.7422","0.0004","17.009","0.002","90","","94.425","0.008","90","","1046.9","0.2","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C52 H28 F16 N4 -","4","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MOKα","","0.0449","0.0336","","","0.0819","0.0887","","","","","","1.021","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219802","6.7242","0.0006","8.3077","0.0007","10.3309","0.0009","74.956","0.004","73.491","0.004","74.437","0.004","522.43","0.08","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C26 H14 F8 N2 -","2","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MOKα","","0.0393","0.0329","","","0.0913","0.0961","","","","","","1.051","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219803","3.8029","0.0004","11.4621","0.0014","12.2186","0.0015","90","","94.778","0.006","90","","530.75","0.11","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C26 H14 F8 N2 -","2","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MOKα","","0.025","0.0244","","","0.0669","0.0674","","","","","","1.068","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219804","3.727","0.0007","11.656","0.002","25.035","0.005","90","","90","","90","","1087.6","0.4","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C52 H28 F16 N4 -","4","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.0758","0.0514","","","0.1245","0.1375","","","","","","0.999","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219805","3.7169","0.0006","11.5058","0.0019","12.53","0.002","97.022","0.011","93.644","0.011","91.313","0.012","530.51","0.15","100","","100","","","","","","","","","4","P -1","-P 1","2","","3,4-difluoro-N-(2,4-difluorobenzylidene)aniline","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C26 H14 F8 N2 -","2","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.0671","0.0458","","","0.1103","0.1223","","","","","","1.043","","","","has coordinates,has disorder","180529","2020-10-21","18:00:00",""
"7219806","3.6872","0.0003","12.9017","0.0008","22.262","0.002","90","","90","","90","","1059.03","0.14","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C52 H28 F16 N4 -","4","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MOKα","","0.0481","0.0368","","","0.0746","0.0794","","","","","","1.023","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219807","6.8363","0.0004","13.8701","0.0008","11.6974","0.0006","90","","105.915","0.003","90","","1066.64","0.1","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C52 H28 F16 N4 -","4","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MOKα","","0.0492","0.0373","","","0.0909","0.0975","","","","","","1.064","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219808","7.3598","0.001","12.5972","0.0014","12.669","0.0016","70.079","0.007","75.851","0.008","78.418","0.007","1061.9","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C52 H28 F16 N4 -","4","2","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.0763","0.0417","","","0.094","0.1096","","","","","","1.01","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219809","6.6472","0.0004","15.892","0.0009","10.0448","0.0005","90","","92.712","0.003","90","","1059.92","0.1","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C52 H28 F16 N4 -","4","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MOKα","","0.0387","0.0322","","","0.0796","0.0835","","","","","","1.051","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219810","13.7505","0.0004","3.7574","0.0001","26.3533","0.0007","90","","130.149","0.002","90","","1040.75","0.06","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C52 H28 F16 N4 -","4","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.0408","0.0332","","","0.0872","0.0957","","","","","","1.045","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219811","3.7226","0.0006","13.105","0.002","21.768","0.004","90","","90","","90","","1061.9","0.3","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C52 H28 F16 N4 -","4","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.0507","0.0373","","","0.0654","0.0711","","","","","","1.061","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219812","7.004","0.003","30.75","0.013","10.041","0.004","90","","99","0.005","90","","2135.9","1.5","100","","100","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C104 H56 F32 N8 -","8","2","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.0397","0.0318","","","0.0671","0.0704","","","","","","1.023","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219813","10.0995","0.0003","9.0827","0.0003","18.1054","0.0004","90","","141.529","0.001","90","","1033.23","0.06","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C52 H28 F16 N4 -","4","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.0413","0.0333","","","0.0864","0.0918","","","","","","1.057","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219814","6.7897","0.001","6.8031","0.0012","12.0624","0.0018","84.037","0.01","85.232","0.01","72.402","0.01","527.44","0.15","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C26 H14 F8 N2 -","2","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.1013","0.0807","","","0.2227","0.2452","","","","","","1.106","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219815","7.345","0.002","21.755","0.006","13.731","0.004","90","","100.313","0.003","90","","2158.6","1","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C104 H56 F32 N8 -","8","2","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MOKα","","0.0575","0.037","","","0.0788","0.0878","","","","","","1.041","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219816","7.092","0.002","30.276","0.01","10.124","0.003","90","","99.046","0.004","90","","2146.8","1.1","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C104 H56 F32 N8 -","8","2","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.0672","0.0436","","","0.103","0.1149","","","","","","1.019","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219817","9.0642","0.001","19.594","0.002","12.6956","0.0015","90","","104.058","0.006","90","","2187.3","0.4","92","2","92","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H27 Cl N3 O10.5 Zn -","- C16 H20 Cl N3 O10.5 Zn -","- C64 H80 Cl4 N12 O42 Zn4 -","4","1","","Rodpun, Kiattipoom; Blackman, Allan G.; Gardiner, Michael G.; Tan, Eng Wui; Meledandri, Carla J.; Lucas, Nigel T.","Alkyl linker effects on the coordination topology of ditopic di(2-pyridylmethyl)amine carboxylate ligands with ZnIIand CuII: polymers vs. macrocycles","CrystEngComm","2015","17","15","2974","","10.1039/C5CE00375J","","","0.71073","MoKα","","0.0715","0.0592","","","0.1404","0.1449","","","","","","1.179","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219818","17.5644","0.0003","34.1856","0.0004","13.3561","0.0002","90","","90","","90","","8019.7","0.2","100","1","100","1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C68 H91 Cl4 N12 O29.5 Zn4 -","- C68 H80 Cl4 N12 O29.5 Zn4 -","- C272 H320 Cl16 N48 O118 Zn16 -","4","1","","Rodpun, Kiattipoom; Blackman, Allan G.; Gardiner, Michael G.; Tan, Eng Wui; Meledandri, Carla J.; Lucas, Nigel T.","Alkyl linker effects on the coordination topology of ditopic di(2-pyridylmethyl)amine carboxylate ligands with ZnIIand CuII: polymers vs. macrocycles","CrystEngComm","2015","17","15","2974","","10.1039/C5CE00375J","","","1.54184","CuKα","","0.0646","0.0626","","","0.1652","0.1672","","","","","","1.033","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219819","15.7557","0.001","15.1427","0.0009","16.838","0.001","90","","90","","90","","4017.3","0.4","93","2","93","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H24 Cl N3 O7 Zn -","- C18 H24 Cl N3 O7 Zn -","- C144 H192 Cl8 N24 O56 Zn8 -","8","1","","Rodpun, Kiattipoom; Blackman, Allan G.; Gardiner, Michael G.; Tan, Eng Wui; Meledandri, Carla J.; Lucas, Nigel T.","Alkyl linker effects on the coordination topology of ditopic di(2-pyridylmethyl)amine carboxylate ligands with ZnIIand CuII: polymers vs. macrocycles","CrystEngComm","2015","17","15","2974","","10.1039/C5CE00375J","","","0.71073","MoKα","","0.0445","0.0309","","","0.0807","0.0877","","","","","","1.031","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219820","10.3751","0.0003","8.315","0.0003","23.5131","0.0011","90","","102.275","0.004","90","","1982.08","0.13","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H22 Cl Cu N3 O7 -","- C17 H22 Cl Cu N3 O7 -","- C68 H88 Cl4 Cu4 N12 O28 -","4","1","","Rodpun, Kiattipoom; Blackman, Allan G.; Gardiner, Michael G.; Tan, Eng Wui; Meledandri, Carla J.; Lucas, Nigel T.","Alkyl linker effects on the coordination topology of ditopic di(2-pyridylmethyl)amine carboxylate ligands with ZnIIand CuII: polymers vs. macrocycles","CrystEngComm","2015","17","15","2974","","10.1039/C5CE00375J","","","0.71073","MoKα","","0.0685","0.0562","","","0.1456","0.1534","","","","","","1.072","","","","has coordinates,has disorder","180529","2020-10-21","18:00:00",""
"7219821","14.1032","0.0002","17.771","0.0002","15.8877","0.0002","90","","90","","90","","3981.9","0.09","100","1","100","1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C34 H48 Cl2 Cu2 N6 O16 -","- C34 H44 Cl2 Cu2 N6 O16 -","- C136 H176 Cl8 Cu8 N24 O64 -","4","1","","Rodpun, Kiattipoom; Blackman, Allan G.; Gardiner, Michael G.; Tan, Eng Wui; Meledandri, Carla J.; Lucas, Nigel T.","Alkyl linker effects on the coordination topology of ditopic di(2-pyridylmethyl)amine carboxylate ligands with ZnIIand CuII: polymers vs. macrocycles","CrystEngComm","2015","17","15","2974","","10.1039/C5CE00375J","","","1.54184","CuKα","","0.0576","0.0565","","","0.1558","0.1573","","","","","","1.026","","","","has coordinates,has disorder","180529","2020-10-21","18:00:00",""
"7219822","13.0446","0.0003","8.8181","0.0002","19.3686","0.0005","90","","90","","90","","2227.94","0.09","100","1","100","1","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C18 H28 Cl Cu N3 O9 -","- C18 H24 Cl Cu N3 O9 -","- C72 H96 Cl4 Cu4 N12 O36 -","4","1","","Rodpun, Kiattipoom; Blackman, Allan G.; Gardiner, Michael G.; Tan, Eng Wui; Meledandri, Carla J.; Lucas, Nigel T.","Alkyl linker effects on the coordination topology of ditopic di(2-pyridylmethyl)amine carboxylate ligands with ZnIIand CuII: polymers vs. macrocycles","CrystEngComm","2015","17","15","2974","","10.1039/C5CE00375J","","","0.71073","MoKα","","0.0514","0.0468","","","0.1173","0.1217","","","","","","1.023","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219823","16.939","0.0002","16.939","0.0002","33.5981","0.0006","90","","90","","90","","9640.3","0.2","100","1","100","1","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C20 H28 Cl N3 O7 Zn -","- C20 H28 Cl N3 O7 Zn -","- C320 H448 Cl16 N48 O112 Zn16 -","16","1","","Rodpun, Kiattipoom; Blackman, Allan G.; Gardiner, Michael G.; Tan, Eng Wui; Meledandri, Carla J.; Lucas, Nigel T.","Alkyl linker effects on the coordination topology of ditopic di(2-pyridylmethyl)amine carboxylate ligands with ZnIIand CuII: polymers vs. macrocycles","CrystEngComm","2015","17","15","2974","","10.1039/C5CE00375J","","","1.54184","CuKα","","0.0933","0.0863","","","0.2584","0.2686","","","","","","1.069","","","","has coordinates,has disorder","180529","2020-10-21","18:00:00",""
"7219824","9.421","0.0017","22.221","0.005","29.851","0.007","110.023","0.013","90.136","0.013","97.835","0.012","5809","2","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C94 H152 Cl4 N12 O34 Zn4 -","- C92 H128 Cl2 N12 O20 Zn4 -","- C184 H256 Cl4 N24 O40 Zn8 -","2","1","","Rodpun, Kiattipoom; Blackman, Allan G.; Gardiner, Michael G.; Tan, Eng Wui; Meledandri, Carla J.; Lucas, Nigel T.","Alkyl linker effects on the coordination topology of ditopic di(2-pyridylmethyl)amine carboxylate ligands with ZnIIand CuII: polymers vs. macrocycles","CrystEngComm","2015","17","15","2974","","10.1039/C5CE00375J","","","0.71073","MoKα","","0.2524","0.1558","","","0.3696","0.4216","","","","","","1.016","","","","has coordinates,has disorder","180529","2020-10-21","18:00:00",""
"7219825","36.788","0.007","8.669","0.0017","33.481","0.007","90","","102.29","0.03","90","","10433","4","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C96 H142 Cl4 N12 O27 Zn4 -","- C96 H140 Cl4 N12 O27 Zn4 -","- C384 H560 Cl16 N48 O108 Zn16 -","4","1","","Rodpun, Kiattipoom; Blackman, Allan G.; Gardiner, Michael G.; Tan, Eng Wui; Meledandri, Carla J.; Lucas, Nigel T.","Alkyl linker effects on the coordination topology of ditopic di(2-pyridylmethyl)amine carboxylate ligands with ZnIIand CuII: polymers vs. macrocycles","CrystEngComm","2015","17","15","2974","","10.1039/C5CE00375J","","","0.7108","Synchrotron","","0.0465","0.0452","","","0.1155","0.1164","","","","","","1.04","","","","has coordinates,has disorder","180529","2020-10-21","18:00:00",""
"7219826","20.41","0.004","5.8212","0.001","18.903","0.004","90","","95.216","0.007","90","","2236.6","0.8","296","2","296","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C23 H26 O8 -","- C23 H26 O8 -","- C92 H104 O32 -","4","1","","Mukherjee, Somnath; Rama Krishna, G.; Mukhopadhyay, Balaram; Malla Reddy, C.","A correlation study between hydrogen-bonded network and gelation ability of three galactose derivatives","CrystEngComm","2015","17","17","3345","","10.1039/C5CE00229J","","","0.71073","MoKα","","0.0535","0.0344","","","0.0649","0.0853","","","","","","1.1","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219827","4.8576","0.0006","9.2069","0.0012","14.7648","0.0019","90","","95.696","0.008","90","","657.07","0.15","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H18 O7 -","- C13 H18 O7 -","- C26 H36 O14 -","2","1","","Mukherjee, Somnath; Rama Krishna, G.; Mukhopadhyay, Balaram; Malla Reddy, C.","A correlation study between hydrogen-bonded network and gelation ability of three galactose derivatives","CrystEngComm","2015","17","17","3345","","10.1039/C5CE00229J","","","0.71073","MoKα","","0.0578","0.055","","","0.1834","0.1861","","","","","","1.367","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219828","9.292","0.005","7.698","0.003","12.322","0.005","90","","111.34","0.03","90","","821","0.7","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H22 O7 -","- C16 H22 O7 -","- C32 H44 O14 -","2","1","","Mukherjee, Somnath; Rama Krishna, G.; Mukhopadhyay, Balaram; Malla Reddy, C.","A correlation study between hydrogen-bonded network and gelation ability of three galactose derivatives","CrystEngComm","2015","17","17","3345","","10.1039/C5CE00229J","","","0.71073","MoKα","","0.0568","0.048","","","0.1403","0.147","","","","","","1.059","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219829","16.3482","0.001","16.3482","0.001","19.5011","0.001","90","","90","","120","","4513.7","0.5","100","2","100","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C52 H56 Cl4 Fe3 N11 O4 -","- C52 H56 Cl4 Fe3 N11 O4 -","- C156 H168 Cl12 Fe9 N33 O12 -","3","0.5","","Gungor, Elif; Yahsi, Yasemin; Kara, Hulya; Caneschi, Andrea","The first 3D and trinuclear cyano-bridged FeIII‒FeIII(CN)6complexes: structure and magnetic characterizations","CrystEngComm","2015","17","16","3082","","10.1039/C5CE00261C","","","0.71073","MoKα","","0.0901","0.0563","","","0.1353","0.1448","","","","","","0.915","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219830","12.47","0.003","15.441","0.003","15.443","0.006","90","","114.56","0.02","90","","2704.5","1.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H54 Cl4 Fe3 N11 O6 -","- C50 H54 Cl4 Fe3 N11 O6 -","- C100 H108 Cl8 Fe6 N22 O12 -","2","0.5","","Gungor, Elif; Yahsi, Yasemin; Kara, Hulya; Caneschi, Andrea","The first 3D and trinuclear cyano-bridged FeIII‒FeIII(CN)6complexes: structure and magnetic characterizations","CrystEngComm","2015","17","16","3082","","10.1039/C5CE00261C","","","0.71073","MoKα","","0.1337","0.072","","","0.1918","0.2455","","","","","","0.863","","","","has coordinates,has disorder","180529","2020-10-21","18:00:00",""
"7219835","11.705","0.005","13.456","0.005","18.636","0.005","95.216","0.005","90.707","0.005","109.834","0.005","2746.7","1.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H48 N16 O12 Zn2 -","- C56 H40 N16 O8 Zn2 -","- C112 H80 N32 O16 Zn4 -","2","1","","Song, Bai-Qiao; Qin, Chao; Zhang, Yu-Teng; Wu, Xue-Song; Liu, Hong-Sheng; Shao, Kui-Zhan; Su, Zhong-Min","Coordination assemblies of seven metal-organic frameworks based on a bent connector: structural diversity and properties","CrystEngComm","2015","17","16","3129","","10.1039/C4CE02473G","","","0.71069","MoKα","","0.1063","0.0552","","","0.1056","0.1171","","","","","","1.004","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7219836","17.697","0.005","24.072","0.005","8.217","0.005","90","0.005","92.118","0.005","90","0.005","3498","2","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C33.25 H33.25 N9.75 O6.25 Zn -","- C28 H20 N8 O4 Zn -","- C112 H80 N32 O16 Zn4 -","4","1","","Song, Bai-Qiao; Qin, Chao; Zhang, Yu-Teng; Wu, Xue-Song; Liu, Hong-Sheng; Shao, Kui-Zhan; Su, Zhong-Min","Coordination assemblies of seven metal-organic frameworks based on a bent connector: structural diversity and properties","CrystEngComm","2015","17","16","3129","","10.1039/C4CE02473G","","","0.71069","MoKα","","0.0613","0.0431","","","0.0964","0.1025","","","","","","1","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7219837","21.036","0.005","7.657","0.005","20.088","0.005","90","0.005","106.909","0.005","90","0.005","3096","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 N8 O6 Zn -","- C34 H25 N8 O6 Zn -","- C136 H100 N32 O24 Zn4 -","4","1","","Song, Bai-Qiao; Qin, Chao; Zhang, Yu-Teng; Wu, Xue-Song; Liu, Hong-Sheng; Shao, Kui-Zhan; Su, Zhong-Min","Coordination assemblies of seven metal-organic frameworks based on a bent connector: structural diversity and properties","CrystEngComm","2015","17","16","3129","","10.1039/C4CE02473G","","","0.71069","MoKα","","0.0683","0.0395","","","0.0841","0.102","","","","","","1.031","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219838","21.082","0.005","7.603","0.005","20.045","0.005","90","0.005","106.323","0.005","90","0.005","3083","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 Co N8 O6 -","- C34 H25 Co N8 O6 -","- C136 H100 Co4 N32 O24 -","4","1","","Song, Bai-Qiao; Qin, Chao; Zhang, Yu-Teng; Wu, Xue-Song; Liu, Hong-Sheng; Shao, Kui-Zhan; Su, Zhong-Min","Coordination assemblies of seven metal-organic frameworks based on a bent connector: structural diversity and properties","CrystEngComm","2015","17","16","3129","","10.1039/C4CE02473G","","","0.71069","MoKα","","0.0873","0.0447","","","0.0874","0.1115","","","","","","0.995","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219839","8.534","0.005","9.108","0.005","19.64","0.005","95.412","0.005","99.68","0.005","107.109","0.005","1421.4","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H25 Cd N10 O6 -","- C27 H25 Cd N10 O6 -","- C54 H50 Cd2 N20 O12 -","2","1","","Song, Bai-Qiao; Qin, Chao; Zhang, Yu-Teng; Wu, Xue-Song; Liu, Hong-Sheng; Shao, Kui-Zhan; Su, Zhong-Min","Coordination assemblies of seven metal-organic frameworks based on a bent connector: structural diversity and properties","CrystEngComm","2015","17","16","3129","","10.1039/C4CE02473G","","","0.71069","MoKα","","0.05","0.0398","","","0.1103","0.1253","","","","","","1.098","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7219840","9.778","0.005","18.632","0.005","15.6","0.005","90","0.005","92.111","0.005","90","0.005","2840.1","1.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 Cd N8 O5 -","- C32 H24 Cd N8 O5 -","- C128 H96 Cd4 N32 O20 -","4","1","","Song, Bai-Qiao; Qin, Chao; Zhang, Yu-Teng; Wu, Xue-Song; Liu, Hong-Sheng; Shao, Kui-Zhan; Su, Zhong-Min","Coordination assemblies of seven metal-organic frameworks based on a bent connector: structural diversity and properties","CrystEngComm","2015","17","16","3129","","10.1039/C4CE02473G","","","0.71069","MoKα","","0.0563","0.0339","","","0.0671","0.0737","","","","","","0.987","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219841","21.5392","0.0007","14.2336","0.0004","7.7362","0.0002","90","","93.957","0.001","90","","2366.11","0.12","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H7 Cd N O5 -","- C13 H7 Cd N O5 -","- C104 H56 Cd8 N8 O40 -","8","1","","Yang, Li-Zi; Fang, Ran; Dou, Wei; Kirillov, Alexander M.; Xu, Cai-ling; Liu, Wei-Sheng","Structural diversity in new coordination polymers modulated by semirigid ether-linked pyridine-phthalate building block and ancillary ligands: syntheses, structures, and luminescence properties","CrystEngComm","2015","17","16","3117","","10.1039/C5CE00341E","","","0.71073","MoKα","","0.0219","0.0202","","","0.0541","0.0557","","","","","","1.084","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219842","28.2519","0.0003","28.2519","0.0003","12.3144","0.0003","90","","90","","90","","9829","0.3","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C26 H16 Cd3 N2 O12 -","- C26 H16 Cd3 N2 O12 -","- C416 H256 Cd48 N32 O192 -","16","1","","Yang, Li-Zi; Fang, Ran; Dou, Wei; Kirillov, Alexander M.; Xu, Cai-ling; Liu, Wei-Sheng","Structural diversity in new coordination polymers modulated by semirigid ether-linked pyridine-phthalate building block and ancillary ligands: syntheses, structures, and luminescence properties","CrystEngComm","2015","17","16","3117","","10.1039/C5CE00341E","","","1.54184","CuKα","","0.0519","0.0388","","","0.0878","0.0955","","","","","","1.048","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219843","21.9803","0.0008","17.2195","0.0007","9.2491","0.0003","90","","105.929","0.002","90","","3366.3","0.2","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H27 Co2 N4 O13 -","- C36 H27 Co2 N4 O13 -","- C144 H108 Co8 N16 O52 -","4","0.5","","Yang, Li-Zi; Fang, Ran; Dou, Wei; Kirillov, Alexander M.; Xu, Cai-ling; Liu, Wei-Sheng","Structural diversity in new coordination polymers modulated by semirigid ether-linked pyridine-phthalate building block and ancillary ligands: syntheses, structures, and luminescence properties","CrystEngComm","2015","17","16","3117","","10.1039/C5CE00341E","","","0.71073","MoKα","","0.0559","0.0408","","","0.0965","0.1046","","","","","","1.029","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219844","14.2195","0.0014","11.2318","0.0008","14.6122","0.0014","90","","100.353","0.01","90","","2295.7","0.4","293.22","0.1","293.22","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3.85 H2.62 N0.77 O0.92 Zn0.15 -","- C3.84615 H2.92308 N0.769231 O0.923077 Zn0.153846 -","- C100 H76 N20 O24 Zn4 -","26","6.5","","Yang, Li-Zi; Fang, Ran; Dou, Wei; Kirillov, Alexander M.; Xu, Cai-ling; Liu, Wei-Sheng","Structural diversity in new coordination polymers modulated by semirigid ether-linked pyridine-phthalate building block and ancillary ligands: syntheses, structures, and luminescence properties","CrystEngComm","2015","17","16","3117","","10.1039/C5CE00341E","","","0.71073","MoKα","","0.0549","0.0396","","","0.0977","0.1102","","","","","","1.045","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219845","13.9673","0.0005","11.3875","0.0002","14.9718","0.0004","90","","98.332","0.003","90","","2356.17","0.11","293.22","0.1","293.22","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3.57 H2.71 Cd0.14 N0.71 O0.86 -","- C3.57143 H2.71429 Cd0.142857 N0.714286 O0.857143 -","- C100 H76 Cd4 N20 O24 -","28","7","","Yang, Li-Zi; Fang, Ran; Dou, Wei; Kirillov, Alexander M.; Xu, Cai-ling; Liu, Wei-Sheng","Structural diversity in new coordination polymers modulated by semirigid ether-linked pyridine-phthalate building block and ancillary ligands: syntheses, structures, and luminescence properties","CrystEngComm","2015","17","16","3117","","10.1039/C5CE00341E","","","0.71073","MoKα","","0.0534","0.0323","","","0.0734","0.0861","","","","","","1.044","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219846","7.8766","0.0002","19.455","0.0005","13.3737","0.0004","90","","90.361","0.002","90","","2049.34","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Co N3 O6 -","- C22 H16 Co N3 O6 -","- C88 H64 Co4 N12 O24 -","4","1","","Yang, Li-Zi; Fang, Ran; Dou, Wei; Kirillov, Alexander M.; Xu, Cai-ling; Liu, Wei-Sheng","Structural diversity in new coordination polymers modulated by semirigid ether-linked pyridine-phthalate building block and ancillary ligands: syntheses, structures, and luminescence properties","CrystEngComm","2015","17","16","3117","","10.1039/C5CE00341E","","","0.71073","MoKα","","0.0711","0.0499","","","0.1169","0.1286","","","","","","1.069","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219847","7.6214","0.0011","17.281","0.002","12.3199","0.0016","90","","96.176","0.007","90","","1613.2","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H11 Cd N2 O5 -","- C18 H11 Cd N2 O5 -","- C72 H44 Cd4 N8 O20 -","4","1","","Yang, Li-Zi; Fang, Ran; Dou, Wei; Kirillov, Alexander M.; Xu, Cai-ling; Liu, Wei-Sheng","Structural diversity in new coordination polymers modulated by semirigid ether-linked pyridine-phthalate building block and ancillary ligands: syntheses, structures, and luminescence properties","CrystEngComm","2015","17","16","3117","","10.1039/C5CE00341E","","","0.71073","MoKα","","0.0826","0.0607","","","0.1582","0.1748","","","","","","1.023","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219848","9.664","0.0019","11.505","0.002","14.704","0.003","83.42","0.03","74.84","0.03","84.16","0.03","1563.2","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H24 N4 O11 U -","- C37 H24 N4 O11 U -","- C74 H48 N8 O22 U2 -","2","1","","Zhu, Liu-Zheng; Wang, Cong-Zhi; Mei, Lei; Wang, Lin; Liu, Yun-Hai; Zhu, Zhen-Tai; Zhao, Yu-Liang; Chai, Zhi-Fang; Shi, Wei-Qun","Two novel uranyl complexes of a semi-rigid aromatic tetracarboxylic acid supported by an organic base as an auxiliary ligand or a templating agent: an experimental and theoretical exploration","CrystEngComm","2015","17","15","3031","","10.1039/C5CE00223K","","","0.71073","MoKα","","0.0423","0.0386","","","0.1024","0.1048","","","","","","0.916","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219849","14.1475","0.0007","14.2138","0.0007","14.2205","0.0008","71.475","0.005","63.479","0.005","86.375","0.004","2415.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C99 H60 N8 O45 U6 -","- C99 H60 N8 O45 U6 -","- C99 H60 N8 O45 U6 -","1","0.5","","Zhu, Liu-Zheng; Wang, Cong-Zhi; Mei, Lei; Wang, Lin; Liu, Yun-Hai; Zhu, Zhen-Tai; Zhao, Yu-Liang; Chai, Zhi-Fang; Shi, Wei-Qun","Two novel uranyl complexes of a semi-rigid aromatic tetracarboxylic acid supported by an organic base as an auxiliary ligand or a templating agent: an experimental and theoretical exploration","CrystEngComm","2015","17","15","3031","","10.1039/C5CE00223K","","","1.54178","CuKα","","0.0711","0.0572","","","0.1158","0.1211","","","","","","1.103","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219850","46.64","0.07","12.447","0.018","31.37","0.04","90","","131.263","0.012","90","","13689","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H67 Cd3 N16 O24 -","- C52 H47 Cd3 N16 O16 -","- C416 H376 Cd24 N128 O128 -","8","1","","Calahorro, Antonio J.; San Sebastián, Eider; Salinas-Castillo, Alfonso; Seco, Jose M.; Mendicute-Fierro, Claudio; Fernández, Belén; Rodríguez-Diéguez, Antonio","Effect of π‒π stacking interactions on the emission properties of cadmium metal‒organic frameworks based on 1,4-bis(4-pyridyl)-2,3-diaza-1,3-butadiene","CrystEngComm","2015","17","19","3659","","10.1039/C5CE00010F","","","0.71069","MoKα","","0.1234","0.0898","","","0.2432","0.2685","","","","","","1.037","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219851","10.8281","0.0003","11.4808","0.0004","15.8705","0.0004","90","","109.351","0.001","90","","1861.49","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 Cd N4 O4 -","- C19 H20 Cd N4 O4 -","- C76 H80 Cd4 N16 O16 -","4","1","","Calahorro, Antonio J.; San Sebastián, Eider; Salinas-Castillo, Alfonso; Seco, Jose M.; Mendicute-Fierro, Claudio; Fernández, Belén; Rodríguez-Diéguez, Antonio","Effect of π‒π stacking interactions on the emission properties of cadmium metal‒organic frameworks based on 1,4-bis(4-pyridyl)-2,3-diaza-1,3-butadiene","CrystEngComm","2015","17","19","3659","","10.1039/C5CE00010F","","","0.71069","MoKα","","0.0368","0.0263","","","0.0566","0.0597","","","","","","1.042","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219852","10.667","0.006","11.908","0.006","13.161","0.007","90","","109.602","0.006","90","","1574.9","1.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Cd N4 O4 -","- C16 H14 Cd N4 O4 -","- C64 H56 Cd4 N16 O16 -","4","1","","Calahorro, Antonio J.; San Sebastián, Eider; Salinas-Castillo, Alfonso; Seco, Jose M.; Mendicute-Fierro, Claudio; Fernández, Belén; Rodríguez-Diéguez, Antonio","Effect of π‒π stacking interactions on the emission properties of cadmium metal‒organic frameworks based on 1,4-bis(4-pyridyl)-2,3-diaza-1,3-butadiene","CrystEngComm","2015","17","19","3659","","10.1039/C5CE00010F","","","0.71069","MoKα","","0.0456","0.0373","","","0.0849","0.0901","","","","","","1.062","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219853","8.63","0.02","10.32","0.02","13.12","0.03","94.84","0.02","107.4","0.02","110.62","0.02","1020","4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H22 Cd N4 O5 -","- C19 H21 Cd N4 O5 -","- C38 H42 Cd2 N8 O10 -","2","1","","Calahorro, Antonio J.; San Sebastián, Eider; Salinas-Castillo, Alfonso; Seco, Jose M.; Mendicute-Fierro, Claudio; Fernández, Belén; Rodríguez-Diéguez, Antonio","Effect of π‒π stacking interactions on the emission properties of cadmium metal‒organic frameworks based on 1,4-bis(4-pyridyl)-2,3-diaza-1,3-butadiene","CrystEngComm","2015","17","19","3659","","10.1039/C5CE00010F","","","0.71069","MoKα","","0.0945","0.0673","","","0.149","0.165","","","","","","1.036","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219854","16.991","0.008","15.726","0.007","9.212","0.009","90","","120.505","0.007","90","","2121","2","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C18 H22 Cd N4 O6 -","- C18 H20 Cd N4 O6 -","- C72 H80 Cd4 N16 O24 -","4","1","","Calahorro, Antonio J.; San Sebastián, Eider; Salinas-Castillo, Alfonso; Seco, Jose M.; Mendicute-Fierro, Claudio; Fernández, Belén; Rodríguez-Diéguez, Antonio","Effect of π‒π stacking interactions on the emission properties of cadmium metal‒organic frameworks based on 1,4-bis(4-pyridyl)-2,3-diaza-1,3-butadiene","CrystEngComm","2015","17","19","3659","","10.1039/C5CE00010F","","","0.71069","MoKα","","0.074","0.0473","","","0.1041","0.1167","","","","","","1.067","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219855","4.8452","0.0004","10.3656","0.001","17.3307","0.0017","90","","97.778","0.004","90","","862.4","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 N4 O4 -","- C18 H20 N4 O4 -","- C36 H40 N8 O8 -","2","0.5","","Calahorro, Antonio J.; San Sebastián, Eider; Salinas-Castillo, Alfonso; Seco, Jose M.; Mendicute-Fierro, Claudio; Fernández, Belén; Rodríguez-Diéguez, Antonio","Effect of π‒π stacking interactions on the emission properties of cadmium metal‒organic frameworks based on 1,4-bis(4-pyridyl)-2,3-diaza-1,3-butadiene","CrystEngComm","2015","17","19","3659","","10.1039/C5CE00010F","","","0.71073","MoKα","","0.1137","0.0546","","","0.1075","0.127","","","","","","1.005","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219856","40.33","0.09","4.629","0.013","20.38","0.05","90","","117.5","0.03","90","","3375","15","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H18 N4 O4 -","- C17 H18 N4 O4 -","- C136 H144 N32 O32 -","8","1","","Calahorro, Antonio J.; San Sebastián, Eider; Salinas-Castillo, Alfonso; Seco, Jose M.; Mendicute-Fierro, Claudio; Fernández, Belén; Rodríguez-Diéguez, Antonio","Effect of π‒π stacking interactions on the emission properties of cadmium metal‒organic frameworks based on 1,4-bis(4-pyridyl)-2,3-diaza-1,3-butadiene","CrystEngComm","2015","17","19","3659","","10.1039/C5CE00010F","","","0.71069","MoKα","","0.1474","0.0772","","","0.1756","0.2322","","","","","","0.991","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219857","17.6812","0.0015","9.5252","0.0008","19.9837","0.0017","90","","98.363","0.002","90","","3329.8","0.5","100","2","100","2","","","101.3","","","","synthesis","3","P 1 21/n 1","-P 2yn","14","form IIIp","p-iso-propylcalix[4]arene","","- C40 H48 O4 -","- C40 H48 O4 -","- C160 H192 O16 -","4","1","","Smith, Vincent J.; Marais, Charl G.; Suwińska, Kinga; Lipkowski, Janusz; Szumna, Agnieszka; Esterhuysen, Catharine; Barbour, Leonard J.","Concomitant polymorphs of p-iso-propylcalix[4]arene","CrystEngComm","2015","17","28","5129","","10.1039/C5CE00362H","","x-ray","0.71073","MoKα","","0.0836","0.0529","","","0.1182","0.1363","","","","","","1.035","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7219858","24.851","0.003","9.4124","0.0013","29.215","0.004","90","","103.211","0.002","90","","6652.8","1.5","100","2","100","2","","","101.3","","","","synthesis","3","C 1 2/c 1","-C 2yc","15","p-iso-propylcalix[4]arene","p-iso-propylcalix[4]arene","","- C40 H48 O4 -","- C40 H48 O4 -","- C320 H384 O32 -","8","1","","Smith, Vincent J.; Marais, Charl G.; Suwińska, Kinga; Lipkowski, Janusz; Szumna, Agnieszka; Esterhuysen, Catharine; Barbour, Leonard J.","Concomitant polymorphs of p-iso-propylcalix[4]arene","CrystEngComm","2015","17","28","5129","","10.1039/C5CE00362H","","x-ray","0.71073","MoKα","","0.0693","0.0601","","","0.1531","0.16","","","","","","1.021","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7219859","9.4324","0.0011","15.3488","0.0018","23.578","0.003","90","","98.751","0.002","90","","3373.8","0.7","100","2","100","2","","","101.3","","","","synthesis","3","P 1 21/c 1","-P 2ybc","14","Form Ip","p-iso-propylcalix[4]arene","","- C40 H48 O4 -","- C40 H48 O4 -","- C160 H192 O16 -","4","1","","Smith, Vincent J.; Marais, Charl G.; Suwińska, Kinga; Lipkowski, Janusz; Szumna, Agnieszka; Esterhuysen, Catharine; Barbour, Leonard J.","Concomitant polymorphs of p-iso-propylcalix[4]arene","CrystEngComm","2015","17","28","5129","","10.1039/C5CE00362H","","x-ray","0.71073","MoKα","","0.1424","0.0658","","","0.1386","0.1775","","","","","","0.951","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7219865","11.5446","0.0012","14.7733","0.0016","15.4797","0.0016","66.933","0.002","69.503","0.002","89.899","0.002","2247","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H47 Cu7 Mo12 N40 O48 P -","- C48 H32 Cu7 Mo12 N40 O48 P -","- C48 H32 Cu7 Mo12 N40 O48 P -","1","0.5","","Wang, Xiu-Li; Li, Tian-Jiao; Tian, Ai-Xiang; Li, Na; Yang, Yang; Ning, Ya-Li; Hou, Xue","Influence of N-donor sites in 5-(x-pyridyl)-1H-tetrazole ligands (x = 2, 4) on assembly of polyoxometalate-based compounds modified by multinuclear metal clusters and infinite chains","CrystEngComm","2015","17","17","3257","","10.1039/C4CE02438A","","","0.71073","MoKα","","0.0949","0.0602","","","0.1404","0.1598","","","","","","1.087","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219866","12.1224","0.0015","13.4764","0.0015","14.2227","0.0017","105.086","0.002","111.688","0.002","105.602","0.002","1904.2","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H41 Cu5 Mo12 N30 O48 P -","- C36 H24 Cu5 Mo12 N30 O48 P -","- C36 H24 Cu5 Mo12 N30 O48 P -","1","0.5","","Wang, Xiu-Li; Li, Tian-Jiao; Tian, Ai-Xiang; Li, Na; Yang, Yang; Ning, Ya-Li; Hou, Xue","Influence of N-donor sites in 5-(x-pyridyl)-1H-tetrazole ligands (x = 2, 4) on assembly of polyoxometalate-based compounds modified by multinuclear metal clusters and infinite chains","CrystEngComm","2015","17","17","3257","","10.1039/C4CE02438A","","","0.71073","MoKα","","0.0869","0.0491","","","0.1167","0.1332","","","","","","1.063","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219867","10.5428","0.0006","23.1328","0.0013","12.2375","0.0007","90","","101.333","0.001","90","","2926.3","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Ag6 Mo12 N20 O40 Si -","- C24 H16 Ag6 Mo12 N20 O40 Si -","- C48 H32 Ag12 Mo24 N40 O80 Si2 -","2","0.5","","Wang, Xiu-Li; Li, Tian-Jiao; Tian, Ai-Xiang; Li, Na; Yang, Yang; Ning, Ya-Li; Hou, Xue","Influence of N-donor sites in 5-(x-pyridyl)-1H-tetrazole ligands (x = 2, 4) on assembly of polyoxometalate-based compounds modified by multinuclear metal clusters and infinite chains","CrystEngComm","2015","17","17","3257","","10.1039/C4CE02438A","","","0.71073","MoKα","","0.0457","0.0439","","","0.0919","0.093","","","","","","1.005","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219868","26.3119","0.0019","10.3171","0.0007","23.8781","0.0017","90","","106.323","0.001","90","","6220.7","0.8","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H30 Ag5 Mo12 N20 O45 P -","- C24 H16 Ag5 Mo12 N20 O40 P -","- C96 H64 Ag20 Mo48 N80 O160 P4 -","4","0.5","","Wang, Xiu-Li; Li, Tian-Jiao; Tian, Ai-Xiang; Li, Na; Yang, Yang; Ning, Ya-Li; Hou, Xue","Influence of N-donor sites in 5-(x-pyridyl)-1H-tetrazole ligands (x = 2, 4) on assembly of polyoxometalate-based compounds modified by multinuclear metal clusters and infinite chains","CrystEngComm","2015","17","17","3257","","10.1039/C4CE02438A","","","0.71073","MoKα","","0.0992","0.0847","","","0.2413","0.254","","","","","","1.038","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219869","6.6762","0.0009","7.9864","0.0011","13.745","0.0019","78.535","0.002","84.941","0.002","76.907","0.002","698.86","0.17","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H24 Ca2 Co N6 O24 -","- C12 H24 Ca2 Co N6 O24 -","- C12 H24 Ca2 Co N6 O24 -","1","0.5","","Zhang, Sheng; Liu, Xiangyu; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping","Mixed-metal‒organic frameworks (M′MOFs) from 1D to 3D based on the “organic” connectivity and the inorganic connectivity: syntheses, structures and magnetic properties","CrystEngComm","2015","17","17","3312","","10.1039/C5CE00126A","","","0.71073","MoKα","","0.0787","0.0563","","","0.1378","0.1508","","","","","","1","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219870","6.5863","0.0009","7.6421","0.0011","13.809","0.002","96.335","0.002","94.647","0.002","97.679","0.002","681.37","0.17","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H24 Cl2 Co N4 O18 Sr2 -","- C12 H24 Cl2 Co N4 O18 Sr2 -","- C12 H24 Cl2 Co N4 O18 Sr2 -","1","0.5","","Zhang, Sheng; Liu, Xiangyu; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping","Mixed-metal‒organic frameworks (M′MOFs) from 1D to 3D based on the “organic” connectivity and the inorganic connectivity: syntheses, structures and magnetic properties","CrystEngComm","2015","17","17","3312","","10.1039/C5CE00126A","","","0.71073","MoKα","","0.0585","0.0439","","","0.0852","0.0911","","","","","","1.082","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219871","6.5961","0.0005","7.7866","0.0006","13.4353","0.0011","83.405","0.001","80.961","0.001","81.545","0.001","671.1","0.09","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H24 Cl2 Cu N4 O18 Sr2 -","- C12 H24 Cl2 Cu N4 O18 Sr2 -","- C12 H24 Cl2 Cu N4 O18 Sr2 -","1","0.5","","Zhang, Sheng; Liu, Xiangyu; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping","Mixed-metal‒organic frameworks (M′MOFs) from 1D to 3D based on the “organic” connectivity and the inorganic connectivity: syntheses, structures and magnetic properties","CrystEngComm","2015","17","17","3312","","10.1039/C5CE00126A","","","0.71073","MoKα","","0.0341","0.0287","","","0.0701","0.0727","","","","","","1.075","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219872","6.6953","0.0004","7.6428","0.0005","14.0935","0.0008","96.583","0.001","95.129","0.001","96.171","0.001","708.48","0.07","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H24 Ba2 Cl2 Co N4 O18 -","- C12 H24 Ba2 Cl2 Co N4 O18 -","- C12 H24 Ba2 Cl2 Co N4 O18 -","1","0.5","","Zhang, Sheng; Liu, Xiangyu; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping","Mixed-metal‒organic frameworks (M′MOFs) from 1D to 3D based on the “organic” connectivity and the inorganic connectivity: syntheses, structures and magnetic properties","CrystEngComm","2015","17","17","3312","","10.1039/C5CE00126A","","","0.71073","MoKα","","0.0197","0.019","","","0.0468","0.0472","","","","","","1.004","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219873","6.6818","0.0009","7.6135","0.001","14.034","0.002","96.685","0.002","95.671","0.002","95.868","0.002","700.92","0.17","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H24 Ba2 Cl2 N4 Ni O18 -","- C12 H24 Ba2 Cl2 N4 Ni O18 -","- C12 H24 Ba2 Cl2 N4 Ni O18 -","1","0.5","","Zhang, Sheng; Liu, Xiangyu; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping","Mixed-metal‒organic frameworks (M′MOFs) from 1D to 3D based on the “organic” connectivity and the inorganic connectivity: syntheses, structures and magnetic properties","CrystEngComm","2015","17","17","3312","","10.1039/C5CE00126A","","","0.71073","MoKα","","0.0353","0.0318","","","0.0621","0.0642","","","","","","1.057","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219874","18.685","0.008","11.722","0.005","9.244","0.004","90","","91.771","0.006","90","","2023.7","1.5","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Ba2 Cl Cu N4 O11 -","- C12 H10 Ba2 Cl Cu N4 O11 -","- C48 H40 Ba8 Cl4 Cu4 N16 O44 -","4","0.5","","Zhang, Sheng; Liu, Xiangyu; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping","Mixed-metal‒organic frameworks (M′MOFs) from 1D to 3D based on the “organic” connectivity and the inorganic connectivity: syntheses, structures and magnetic properties","CrystEngComm","2015","17","17","3312","","10.1039/C5CE00126A","","","0.71073","MoKα","","0.0701","0.0684","","","0.2401","0.2451","","","","","","1.068","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219875","7.7073","0.0007","8.5422","0.0008","10.0834","0.0009","94.55","0.001","105.335","0.001","95.427","0.001","633.58","0.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H20 Ca2 Cu N6 O22 -","- C12 H20 Ca2 Cu N6 O22 -","- C12 H20 Ca2 Cu N6 O22 -","1","0.5","","Zhang, Sheng; Liu, Xiangyu; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping","Mixed-metal‒organic frameworks (M′MOFs) from 1D to 3D based on the “organic” connectivity and the inorganic connectivity: syntheses, structures and magnetic properties","CrystEngComm","2015","17","17","3312","","10.1039/C5CE00126A","","","0.71073","MoKα","","0.0401","0.0356","","","0.0863","0.0895","","","","","","1.019","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219876","14.3621","0.0013","6.98","0.0006","15.7788","0.0015","90","","114.121","0.001","90","","1443.7","0.2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H24 Cu N6 O24 Sr2 -","- C12 H24 Cu N6 O24 Sr2 -","- C24 H48 Cu2 N12 O48 Sr4 -","2","0.5","","Zhang, Sheng; Liu, Xiangyu; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping","Mixed-metal‒organic frameworks (M′MOFs) from 1D to 3D based on the “organic” connectivity and the inorganic connectivity: syntheses, structures and magnetic properties","CrystEngComm","2015","17","17","3312","","10.1039/C5CE00126A","","","0.71073","MoKα","","0.0408","0.0299","","","0.0761","0.0819","","","","","","1.011","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219877","6.6503","0.0009","7.9533","0.0011","13.656","0.002","78.411","0.002","84.66","0.002","77.08","0.002","688.78","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H24 Ca2 N6 Ni O24 -","- C12 H24 Ca2 N6 Ni O24 -","- C12 H24 Ca2 N6 Ni O24 -","1","0.5","","Zhang, Sheng; Liu, Xiangyu; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping","Mixed-metal‒organic frameworks (M′MOFs) from 1D to 3D based on the “organic” connectivity and the inorganic connectivity: syntheses, structures and magnetic properties","CrystEngComm","2015","17","17","3312","","10.1039/C5CE00126A","","","0.71073","MoKα","","0.0429","0.0373","","","0.0971","0.1015","","","","","","1.003","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219878","6.6133","0.0015","7.6512","0.0017","13.778","0.003","96.312","0.004","95.186","0.003","97.792","0.004","682.6","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H24 Cl2 N4 Ni O18 Sr2 -","- C12 H24 Cl2 N4 Ni O18 Sr2 -","- C12 H24 Cl2 N4 Ni O18 Sr2 -","1","0.5","","Zhang, Sheng; Liu, Xiangyu; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping","Mixed-metal‒organic frameworks (M′MOFs) from 1D to 3D based on the “organic” connectivity and the inorganic connectivity: syntheses, structures and magnetic properties","CrystEngComm","2015","17","17","3312","","10.1039/C5CE00126A","","","0.71073","MoKα","","0.0473","0.0365","","","0.082","0.0882","","","","","","1.008","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219879","18.895","0.005","5.769","0.003","26.82","0.006","90","","90.989","0.005","90","","2923.1","1.8","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-Ferrocenyl-2-(phenyl)thioethanone","","- C18 H16 Fe O S -","- C18 H16 Fe O S -","- C144 H128 Fe8 O8 S8 -","8","1","","Ferreira da Silva, J. L.; Harjivan, Shrika G.; Ferreira, André P.; Shimizu, Karina; Matilde Marques, M.; Duarte, M. Teresa","Effect of substituents in the molecular and supramolecular architectures of 1-ferrocenyl-2-(aryl)thioethanones","CrystEngComm","2015","17","16","3089","","10.1039/C5CE00149H","","","0.71073","MoKα","","0.0509","0.0337","","","0.0718","0.0779","","","","","","1.032","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219880","10.57","0.005","7.329","0.004","45.553","0.008","90","","90","","90","","3529","3","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","1-Ferrocenyl-2-[(naphthalen-2-yl)thio]ethanone","","- C22 H18 Fe O S -","- C22 H18 Fe O S -","- C176 H144 Fe8 O8 S8 -","8","2","","Ferreira da Silva, J. L.; Harjivan, Shrika G.; Ferreira, André P.; Shimizu, Karina; Matilde Marques, M.; Duarte, M. Teresa","Effect of substituents in the molecular and supramolecular architectures of 1-ferrocenyl-2-(aryl)thioethanones","CrystEngComm","2015","17","16","3089","","10.1039/C5CE00149H","","","0.71069","MoKα","","0.135","0.0674","","","0.126","0.1538","","","","","","0.975","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219881","5.706","0.003","11.339","0.005","13.634","0.005","112.724","0.005","94.083","0.008","94.391","0.01","806.4","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","1-Ferrocenyl-2-[4-(methoxyphenyl)thio]ethanone","","- C19 H18 Fe O2 S -","- C19 H18 Fe O2 S -","- C38 H36 Fe2 O4 S2 -","2","1","","Ferreira da Silva, J. L.; Harjivan, Shrika G.; Ferreira, André P.; Shimizu, Karina; Matilde Marques, M.; Duarte, M. Teresa","Effect of substituents in the molecular and supramolecular architectures of 1-ferrocenyl-2-(aryl)thioethanones","CrystEngComm","2015","17","16","3089","","10.1039/C5CE00149H","","","0.71069","MoKα","","0.0336","0.0281","","","0.0679","0.0708","","","","","","1.029","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219882","24.794","0.005","5.846","0.003","21.572","0.004","90","","90","","90","","3126.8","1.8","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","1-Ferrocenyl-2-[4-(chlorophenyl)thio]ethanone","","- C18 H15 Cl Fe O S -","- C18 H15 Cl Fe O S -","- C144 H120 Cl8 Fe8 O8 S8 -","8","2","","Ferreira da Silva, J. L.; Harjivan, Shrika G.; Ferreira, André P.; Shimizu, Karina; Matilde Marques, M.; Duarte, M. Teresa","Effect of substituents in the molecular and supramolecular architectures of 1-ferrocenyl-2-(aryl)thioethanones","CrystEngComm","2015","17","16","3089","","10.1039/C5CE00149H","","","0.71073","MoKα","","0.0891","0.0443","","","0.0561","0.0637","","","","","","0.756","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219883","7.6287","0.0018","23.333","0.006","9.21","0.002","90","","108.146","0.009","90","","1557.9","0.6","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-Ferrocenyl-2-[3-(chlorophenyl)thio]ethanone","","- C18 H15 Cl Fe O S -","- C18 H15 Cl Fe O S -","- C72 H60 Cl4 Fe4 O4 S4 -","4","1","","Ferreira da Silva, J. L.; Harjivan, Shrika G.; Ferreira, André P.; Shimizu, Karina; Matilde Marques, M.; Duarte, M. Teresa","Effect of substituents in the molecular and supramolecular architectures of 1-ferrocenyl-2-(aryl)thioethanones","CrystEngComm","2015","17","16","3089","","10.1039/C5CE00149H","","","0.71073","MoKα","","0.1293","0.0505","","","0.0984","0.1241","","","","","","0.994","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219884","7.119","0.003","23.62","0.0008","9.661","0.002","90","","108.071","0.007","90","","1544.4","0.7","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1-Ferrocenyl-2-[2-(chlorophenyl)thio]ethanone (VII)","","- C18 H15 Cl Fe O S -","- C18 H15 Cl Fe O S -","- C72 H60 Cl4 Fe4 O4 S4 -","4","1","","Ferreira da Silva, J. L.; Harjivan, Shrika G.; Ferreira, André P.; Shimizu, Karina; Matilde Marques, M.; Duarte, M. Teresa","Effect of substituents in the molecular and supramolecular architectures of 1-ferrocenyl-2-(aryl)thioethanones","CrystEngComm","2015","17","16","3089","","10.1039/C5CE00149H","","","0.71073","MoKα","","0.0841","0.0513","","","0.109","0.1203","","","","","","1.047","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219885","6.0532","0.0019","34.587","0.008","7.827","0.002","90","","101.767","0.009","90","","1604.2","0.7","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H15 Fe N O3 S -","- C18 H15 Fe N O3 S -","- C72 H60 Fe4 N4 O12 S4 -","4","2","","Ferreira da Silva, J. L.; Harjivan, Shrika G.; Ferreira, André P.; Shimizu, Karina; Matilde Marques, M.; Duarte, M. Teresa","Effect of substituents in the molecular and supramolecular architectures of 1-ferrocenyl-2-(aryl)thioethanones","CrystEngComm","2015","17","16","3089","","10.1039/C5CE00149H","","","0.71073","MoKα","","0.1063","0.0514","","","0.076","0.09","","","","","","0.956","","","","has coordinates,has disorder","180529","2020-10-21","18:00:00",""
"7219894","8.0072","0.0005","11.8432","0.0009","13.3307","0.0009","96.449","0.006","106.074","0.006","97.869","0.006","1188.22","0.15","120","","120","","","","","","","","chemical synthesis","5","P -1","-P 1","2","","","","- C22 H30 N4 O7 S -","- C22 H30 N4 O7 S -","- C44 H60 N8 O14 S2 -","2","1","","Đilović, I.; Užarević, K.","Conformational adaptations of acyclic receptor templated by weakly coordinating anions","CrystEngComm","2015","17","16","3153","","10.1039/C4CE02413C","","","0.71073","MoKα","","0.156","0.0732","","","0.1353","0.1589","","","","","","0.97","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219895","33.554","0.007","13.996","0.003","18.645","0.004","90","","100.54","0.03","90","","8608","3","293","2","293","2","","","","","","","chemical synthesis","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H26 N4 O6 S -","- C21 H26 N4 O6 S -","- C336 H416 N64 O96 S16 -","16","2","","Đilović, I.; Užarević, K.","Conformational adaptations of acyclic receptor templated by weakly coordinating anions","CrystEngComm","2015","17","16","3153","","10.1039/C4CE02413C","","","0.71073","MoKα","","0.1291","0.0481","","","0.0749","0.0872","","","","","","0.841","","","","has coordinates,has disorder","180529","2020-10-21","18:00:00",""
"7219896","7.937","0.0005","12.8236","0.001","13.4836","0.001","79.804","0.006","76.806","0.006","78.841","0.006","1298.15","0.17","150","","150","","","","","","","","chemical synthesis","5","P -1","-P 1","2","","","","- C20 H26 Br N3 O6 -","- C20 H26 Br N3 O6 -","- C40 H52 Br2 N6 O12 -","2","1","","Đilović, I.; Užarević, K.","Conformational adaptations of acyclic receptor templated by weakly coordinating anions","CrystEngComm","2015","17","16","3153","","10.1039/C4CE02413C","","","0.71073","MoKα","","0.1452","0.1041","","","0.3058","0.3386","","","","","","1.161","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219897","15.9465","0.0006","18.9851","0.0004","17.161","0.0007","90","","111.552","0.004","90","","4832.2","0.3","293","2","293","2","","","","","","","chemical synthesis","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H64 Cl2 N6 O21 -","- C43 H64 Cl2 N6 O21 -","- C172 H256 Cl8 N24 O84 -","4","1","","Đilović, I.; Užarević, K.","Conformational adaptations of acyclic receptor templated by weakly coordinating anions","CrystEngComm","2015","17","16","3153","","10.1039/C4CE02413C","","","0.7107","MoKα","","0.0816","0.0665","","","0.1859","0.1971","","","","","","1.031","","","","has coordinates,has disorder","180529","2020-10-21","18:00:00",""
"7219898","7.937","0.0005","12.824","0.001","13.485","0.001","79.8","0.006","76.802","0.006","78.839","0.006","1298.28","0.17","150","","150","","","","","","","","chemical synthesis","5","P -1","-P 1","2","","","","- C20.5 H28 Br N3 O6.5 -","- C20.5 H28 Br1.0005 N3 O6.5 -","- C41 H56 Br2.001 N6 O13 -","2","1","","Đilović, I.; Užarević, K.","Conformational adaptations of acyclic receptor templated by weakly coordinating anions","CrystEngComm","2015","17","16","3153","","10.1039/C4CE02413C","","","0.71073","MoKα","","0.1581","0.1052","","","0.3065","0.3421","","","","","","1.105","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219899","13.7359","0.0008","13.0043","0.0008","7.8727","0.0004","90","","94.636","0.006","90","","1401.67","0.14","330","1","330","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H7 Bi I4 N2 -","- C4 H7 Bi I4 N2 -","- C16 H28 Bi4 I16 N8 -","4","0.5","","Gągor, A.; Węcławik, M.; Bondzior, B.; Jakubas, R.","Periodic and incommensurately modulated phases in a (2-methylimidazolium)tetraiodobismuthate(iii) thermochromic organic‒inorganic hybrid","CrystEngComm","2015","17","17","3286","","10.1039/C5CE00046G","","","0.71073","MoKα","","0.036","0.0261","","","0.0533","0.0551","","","","","","0.937","","","","has coordinates,has disorder","180529","2020-10-21","18:00:00",""
"7219900","7.8955","0.0008","7.9685","0.001","12.611","0.002","84.587","0.014","88.678","0.014","76.076","0.01","766.68","0.18","200","1","200","1","","","","","","","","5","P 1","P 1","1","","","","- C4 H11 Cl N2 O4 -","- C4 H11 Cl N2 O4 -","- C16 H44 Cl4 N8 O16 -","4","4","","Wojtaś, Maciej; Gągor, Anna; Czupiński, Olaf; Piecha-Bisiorek, Anna; Isakov, Dmitry; Medycki, Wojciech; Jakubas, Ryszard","Polar and antiferroelectric behaviour of a hybrid crystal ‒ piperazinium perchlorate","CrystEngComm","2015","17","16","3171","","10.1039/C5CE00161G","","","0.71073","MoKα","","0.0574","0.0361","","","0.1054","0.1131","","","","","","1.013","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219901","8.0326","0.0008","8.0754","0.001","12.745","0.002","84.19","0.014","88.36","0.014","76.009","0.01","798.07","0.18","413","2","413","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H11 Cl N2 O4 -","- C4 H11 Cl N2 O4 -","- C16 H44 Cl4 N8 O16 -","4","2","","Wojtaś, Maciej; Gągor, Anna; Czupiński, Olaf; Piecha-Bisiorek, Anna; Isakov, Dmitry; Medycki, Wojciech; Jakubas, Ryszard","Polar and antiferroelectric behaviour of a hybrid crystal ‒ piperazinium perchlorate","CrystEngComm","2015","17","16","3171","","10.1039/C5CE00161G","","","0.71073","MoKα","","0.092","0.0494","","","0.14","0.1507","","","","","","0.895","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219902","13.047","0.008","9.7","0.003","8.348","0.005","90","","129.31","0.09","90","","817.4","1.3","426","1","426","1","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C16 H44 Cl4 N8 O16 -","- C16 H44 Cl4 N8 O16 -","- C16 H44 Cl4 N8 O16 -","1","0.125","","Wojtaś, Maciej; Gągor, Anna; Czupiński, Olaf; Piecha-Bisiorek, Anna; Isakov, Dmitry; Medycki, Wojciech; Jakubas, Ryszard","Polar and antiferroelectric behaviour of a hybrid crystal ‒ piperazinium perchlorate","CrystEngComm","2015","17","16","3171","","10.1039/C5CE00161G","","","0.71073","MoKα","","0.1015","0.0725","","","0.1977","0.2163","","","","","","0.961","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219931","37.419","0.005","37.419","0.005","10.7471","0.0011","90","","90","","120","","13032","3","123","2","123","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C64 H54 N4 O2 Sn -","- C64 H54 N4 O2 Sn -","- C576 H486 N36 O18 Sn9 -","9","0.5","","Wang, Shuang; Forsyth, Craig; Langford, Steven J.","Supramolecular materials with robust and tunable channels constructed from tin(iv)porphyrin phenolates","CrystEngComm","2015","17","16","3060","","10.1039/C5CE00198F","","","0.71073","MoKα","","0.1501","0.0562","","","0.1287","0.2029","","","","","","0.967","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219932","36.528","0.002","36.528","0.002","10.5054","0.001","90","","90","","120","","12139.3","1.5","123","2","123","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C62 H50 N4 O2 Sn -","- C62 H50 N4 O2 Sn -","- C558 H450 N36 O18 Sn9 -","9","0.5","","Wang, Shuang; Forsyth, Craig; Langford, Steven J.","Supramolecular materials with robust and tunable channels constructed from tin(iv)porphyrin phenolates","CrystEngComm","2015","17","16","3060","","10.1039/C5CE00198F","","","0.71073","MoKα","","0.1444","0.0606","","","0.1388","0.189","","","","","","0.893","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219933","37.361","0.005","37.361","0.005","10.403","0.002","90","","90","","120","","12576","3","123","2","123","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C64 H54 N4 O2 Sn -","- C64 H54 N4 O2 Sn -","- C576 H486 N36 O18 Sn9 -","9","0.5","","Wang, Shuang; Forsyth, Craig; Langford, Steven J.","Supramolecular materials with robust and tunable channels constructed from tin(iv)porphyrin phenolates","CrystEngComm","2015","17","16","3060","","10.1039/C5CE00198F","","","0.71073","MoKα","","0.2125","0.072","","","0.1568","0.2394","","","","","","0.927","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219934","12.9068","0.0005","23.7447","0.0009","38.817","0.0017","90","","96.451","0.001","90","","11820.8","0.8","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C48 H100 Cu N12 O83 P2 Ti2 W22 -","- C48 H92 Cu N12 O80 P2 Ti2 W22 -","- C192 H368 Cu4 N48 O320 P8 Ti8 W88 -","4","1","","Xu, Li-Jie; Zhou, Wen-Zhe; Zhang, Li-Yuan; Li, Bin; Zang, Hong-Ying; Wang, Yong-Hui; Li, Yang-Guang","Organic‒inorganic hybrid assemblies based on Ti-substituted polyoxometalates for photocatalytic dye degradation","CrystEngComm","2015","17","19","3708","","10.1039/C4CE02505A","","","0.71073","MoKα","","0.0918","0.0526","","","0.1068","0.1213","","","","","","1.006","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219935","14.6474","0.0009","19.8814","0.0012","21.9641","0.0014","78.874","0.001","88.113","0.001","75.659","0.001","6079.7","0.7","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C58 H79 Cu N12 O80.5 P2 Ti2 W22 -","- C58 H76 Cu N12 O80.5 P2 Ti2 W22 -","- C116 H152 Cu2 N24 O161 P4 Ti4 W44 -","2","1","","Xu, Li-Jie; Zhou, Wen-Zhe; Zhang, Li-Yuan; Li, Bin; Zang, Hong-Ying; Wang, Yong-Hui; Li, Yang-Guang","Organic‒inorganic hybrid assemblies based on Ti-substituted polyoxometalates for photocatalytic dye degradation","CrystEngComm","2015","17","19","3708","","10.1039/C4CE02505A","","","0.71073","MoKα","","0.1104","0.0645","","","0.1445","0.1882","","","","","","1.061","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7219936","15.9375","0.0009","16.0198","0.0009","23.1712","0.0014","90","","91.951","0.001","90","","5912.5","0.6","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C96 H80 Cu4 N24 O40 P W12 -","- C96 H80 Cu4 N24 O40 P W12 -","- C192 H160 Cu8 N48 O80 P2 W24 -","2","0.5","","Xu, Li-Jie; Zhou, Wen-Zhe; Zhang, Li-Yuan; Li, Bin; Zang, Hong-Ying; Wang, Yong-Hui; Li, Yang-Guang","Organic‒inorganic hybrid assemblies based on Ti-substituted polyoxometalates for photocatalytic dye degradation","CrystEngComm","2015","17","19","3708","","10.1039/C4CE02505A","","","0.71073","MoKα","","0.1209","0.0481","","","0.0665","0.0831","","","","","","0.994","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219937","17.303","0.004","9.925","0.002","22.41","0.005","90","","90","","90","","3848.5","1.5","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C22 H15 In N3 O9 -","- C16 H6 In O9 -","- C64 H24 In4 O36 -","4","0.5","","Peng, Yu; Li, Guanghua; Hua, Jia; Shi, Zhan; Feng, Shouhua","Syntheses, topological structures and properties of six metal‒organic frameworks constructed from a flexible tetracarboxylate ligand","CrystEngComm","2015","17","16","3162","","10.1039/C5CE00078E","","","0.71073","MoKα","","0.0848","0.07","","","0.2562","0.2692","","","","","","1.132","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219938","10.289","0.002","15.763","0.003","24.796","0.005","90","","112.65","0.03","90","","3711.4","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H40 N4 O16 Zn2 -","- C28 H36 N4 O14 Zn2 -","- C112 H144 N16 O56 Zn8 -","4","1","","Peng, Yu; Li, Guanghua; Hua, Jia; Shi, Zhan; Feng, Shouhua","Syntheses, topological structures and properties of six metal‒organic frameworks constructed from a flexible tetracarboxylate ligand","CrystEngComm","2015","17","16","3162","","10.1039/C5CE00078E","","","0.71073","MoKα","","0.0915","0.067","","","0.1959","0.2101","","","","","","1.091","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219939","19.005","0.004","13.683","0.003","14.521","0.003","90","","119.11","0.03","90","","3299.1","1.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H6 O10 Zn2 -","- C16 H6 O10 Zn2 -","- C128 H48 O80 Zn16 -","8","1","","Peng, Yu; Li, Guanghua; Hua, Jia; Shi, Zhan; Feng, Shouhua","Syntheses, topological structures and properties of six metal‒organic frameworks constructed from a flexible tetracarboxylate ligand","CrystEngComm","2015","17","16","3162","","10.1039/C5CE00078E","","","0.71073","MoKα","","0.0357","0.0301","","","0.0784","0.0809","","","","","","1.068","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219940","19.851","0.003","19.851","0.003","9.876","0.002","90","","90","","120","","3370.4","1","293","2","293","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C30 H34 Co2 N2 O15 S2 -","- C30 H16 Co2 N2 O12 S2 -","- C90 H48 Co6 N6 O36 S6 -","3","0.5","","Peng, Yu; Li, Guanghua; Hua, Jia; Shi, Zhan; Feng, Shouhua","Syntheses, topological structures and properties of six metal‒organic frameworks constructed from a flexible tetracarboxylate ligand","CrystEngComm","2015","17","16","3162","","10.1039/C5CE00078E","","","0.71073","MoKα","","0.1136","0.0951","","","0.254","0.2646","","","","","","1.073","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219941","10.117","0.0011","16.767","0.002","22.415","0.002","90","","90","","90","","3802.3","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H44 Co2 N4 O14 -","- C24 H24 Co2 N2 O12 -","- C96 H96 Co8 N8 O48 -","4","1","","Peng, Yu; Li, Guanghua; Hua, Jia; Shi, Zhan; Feng, Shouhua","Syntheses, topological structures and properties of six metal‒organic frameworks constructed from a flexible tetracarboxylate ligand","CrystEngComm","2015","17","16","3162","","10.1039/C5CE00078E","","","0.71073","MoKα","","0.1759","0.0779","","","0.1567","0.17","","","","","","1.015","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219942","21.818","0.004","14.704","0.003","26.282","0.005","90","","126.84","0.03","90","","6748","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H62 Co4 O29 S7 -","- C36 H24 Co4 O24 S2 -","- C144 H96 Co16 O96 S8 -","4","1","","Peng, Yu; Li, Guanghua; Hua, Jia; Shi, Zhan; Feng, Shouhua","Syntheses, topological structures and properties of six metal‒organic frameworks constructed from a flexible tetracarboxylate ligand","CrystEngComm","2015","17","16","3162","","10.1039/C5CE00078E","","","0.71073","MoKα","","0.1223","0.1127","","","0.2865","0.2943","","","","","","1.041","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219959","21.494","0.004","8.3309","0.0014","18.367","0.003","90","","121.704","0.003","90","","2798.1","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H20 Cu4 I4 N8 -","- C19 H20 Cu4 I4 N8 -","- C76 H80 Cu16 I16 N32 -","4","0.5","","Bai, Shi-Qiang; Jiang, Lu; Sun, Bin; Young, David James; Hor, T. S. Andy","Five Cu(i) and Zn(ii) clusters and coordination polymers of 2-pyridyl-1,2,3-triazoles: synthesis, structures and luminescence properties","CrystEngComm","2015","17","17","3305","","10.1039/C4CE02282C","","","0.71073","MoKα","","0.048","0.0369","","","0.1006","0.1201","","","","","","1.162","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219960","18.283","0.005","8.628","0.002","21.554","0.005","90","","97.845","0.005","90","","3368.2","1.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 Cu4 I4 N10 -","- C24 H28 Cu4 I4 N10 -","- C96 H112 Cu16 I16 N40 -","4","1","","Bai, Shi-Qiang; Jiang, Lu; Sun, Bin; Young, David James; Hor, T. S. Andy","Five Cu(i) and Zn(ii) clusters and coordination polymers of 2-pyridyl-1,2,3-triazoles: synthesis, structures and luminescence properties","CrystEngComm","2015","17","17","3305","","10.1039/C4CE02282C","","","0.71073","MoKα","","0.0698","0.0526","","","0.1355","0.1462","","","","","","1.05","","","","has coordinates,has disorder","180530","2020-10-21","18:00:00",""
"7219961","15.9272","0.0008","9.005","0.0004","22.3483","0.0011","90","","102.105","0.001","90","","3134","0.3","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H14 Cu2 I2 N4 -","- C11 H12 Cu2 I2 N4 -","- C88 H96 Cu16 I16 N32 -","8","1","","Bai, Shi-Qiang; Jiang, Lu; Sun, Bin; Young, David James; Hor, T. S. Andy","Five Cu(i) and Zn(ii) clusters and coordination polymers of 2-pyridyl-1,2,3-triazoles: synthesis, structures and luminescence properties","CrystEngComm","2015","17","17","3305","","10.1039/C4CE02282C","","","0.71073","MoKα","","0.0322","0.0276","","","0.0541","0.0555","","","","","","1.175","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219962","7.1708","0.0004","8.4435","0.0004","12.2732","0.0006","91.226","0.0011","101.4","0.0012","111.39","0.001","674.7","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H14 Cl2 N4 Zn -","- C11 H14 Cl2 N4 Zn -","- C22 H28 Cl4 N8 Zn2 -","2","1","","Bai, Shi-Qiang; Jiang, Lu; Sun, Bin; Young, David James; Hor, T. S. Andy","Five Cu(i) and Zn(ii) clusters and coordination polymers of 2-pyridyl-1,2,3-triazoles: synthesis, structures and luminescence properties","CrystEngComm","2015","17","17","3305","","10.1039/C4CE02282C","","","0.71073","MoKα","","0.0186","0.0181","","","0.0442","0.0444","","","","","","1.057","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219963","9.0863","0.0003","9.2004","0.0004","14.2638","0.0006","102.256","0.001","94.334","0.001","100.742","0.001","1136.56","0.08","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 Cl2 N8 Zn -","- C20 H22 Cl2 N8 Zn -","- C40 H44 Cl4 N16 Zn2 -","2","1","","Bai, Shi-Qiang; Jiang, Lu; Sun, Bin; Young, David James; Hor, T. S. Andy","Five Cu(i) and Zn(ii) clusters and coordination polymers of 2-pyridyl-1,2,3-triazoles: synthesis, structures and luminescence properties","CrystEngComm","2015","17","17","3305","","10.1039/C4CE02282C","","","0.71073","MoKα","","0.0329","0.0261","","","0.0659","0.069","","","","","","1.057","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219964","15.987","0.0015","18.722","0.0018","19.304","0.0019","116.971","0.002","91.384","0.002","90.88","0.002","5145.7","0.9","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C78 H105 N14 Nd3 O61 S4 -","- C78 H92 N14 Nd3 O61 S4 -","- C156 H184 N28 Nd6 O122 S8 -","2","1","","Husain, Ahmad; Oliver, Clive L.","Novel mixed 1D‒2D lanthanide coordination polymers based on p-sulfonatocalix[4]arene and 4,4′-bipyridine-N,N′-dioxide where p-sulfonatocalix[4]arene acts as a guest","CrystEngComm","2015","17","15","3023","","10.1039/C5CE00153F","","","0.71073","MoKα","","0.0737","0.0471","","","0.1034","0.1143","","","","","","1.033","","","","has coordinates,has disorder","180530","2020-10-21","18:00:00",""
"7219965","15.9282","0.0012","18.6918","0.0015","19.2219","0.0015","116.848","0.002","91.344","0.002","90.928","0.002","5102.3","0.7","173.15","","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C78 H105 N14 O61 S4 Sm3 -","- C78 H93 N14 O61 S4 Sm3 -","- C156 H186 N28 O122 S8 Sm6 -","2","1","","Husain, Ahmad; Oliver, Clive L.","Novel mixed 1D‒2D lanthanide coordination polymers based on p-sulfonatocalix[4]arene and 4,4′-bipyridine-N,N′-dioxide where p-sulfonatocalix[4]arene acts as a guest","CrystEngComm","2015","17","15","3023","","10.1039/C5CE00153F","","","0.71073","MoKα","","0.0416","0.0373","","","0.1069","0.1099","","","","","","1.06","","","","has coordinates,has disorder","180530","2020-10-21","18:00:00",""
"7219972","24.4797","0.0003","24.5938","0.0003","25.2374","0.0003","118.436","0.001","111.969","0.001","94.229","0.001","11784.9","0.3","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C297.58 H466 Cu24 N35.6 O172.7 -","- C273.58 H96 Cu24 N27.6 O144.7 -","- C273.58 H96 Cu24 N27.6 O144.7 -","1","0.5","","Amayuelas, Eder; Fidalgo-Marijuan, Arkaitz; Barandika, Gotzone; Bazán, Begoña; Urtiaga, Miren-Karmele; Arriortua, María Isabel","Mother structures related to the hexagonal and cubic close packing in Cu24clusters: solvent-influenced derivatives","CrystEngComm","2015","17","17","3297","","10.1039/C5CE00251F","","","1.54184","CuKα","","0.0975","0.0859","","","0.2564","0.2744","","","","","","1.087","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7219982","23.457","0.0013","11.7906","0.0006","8.1237","0.0005","90","","102.585","0.004","90","","2192.8","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H10 F2 N2 -","- C13 H10 F2 N2 -","- C104 H80 F16 N16 -","8","1","","Dey, Dhananjay; Chopra, Deepak","N–H⋯π induced configurational isomerism and the role of temperature in the Z to E isomerization of 2-fluoro-N′-(3-fluorophenyl)benzimidamide","CrystEngComm","2015","17","28","5288","","10.1039/C5CE00124B","","","0.71073","MoKα","","0.1049","0.0555","","","0.1305","0.1547","","","","","","1.04","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7219983","12.7028","0.0017","8.3775","0.0008","11.5509","0.0012","90","","117.017","0.005","90","","1095.1","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 F2 N2 -","- C13 H10 F2 N2 -","- C52 H40 F8 N8 -","4","1","","Dey, Dhananjay; Chopra, Deepak","N–H⋯π induced configurational isomerism and the role of temperature in the Z to E isomerization of 2-fluoro-N′-(3-fluorophenyl)benzimidamide","CrystEngComm","2015","17","28","5288","","10.1039/C5CE00124B","","","0.71073","MoKα","","0.0685","0.0503","","","0.1263","0.1379","","","","","","1.026","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7219984","6.7821","0.0004","22.9709","0.0013","6.9552","0.0004","90","","91.464","0.004","90","","1083.2","0.11","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H10 F2 N2 -","- C13 H10 F2 N2 -","- C52 H40 F8 N8 -","4","1","","Dey, Dhananjay; Chopra, Deepak","N–H⋯π induced configurational isomerism and the role of temperature in the Z to E isomerization of 2-fluoro-N′-(3-fluorophenyl)benzimidamide","CrystEngComm","2015","17","28","5288","","10.1039/C5CE00124B","","","0.71073","MoKα","","0.0541","0.0431","","","0.1044","0.1113","","","","","","1.053","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7219985","3.7233","0.0003","7.4294","0.0005","12.3158","0.001","98.262","0.004","90.019","0.004","91.709","0.005","336.99","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","bis(isonicotinamide)-d-oxalic acid Form I","","- C14 H8 D6 N4 O6 -","- C14 H8 D6 N4 O6 -","- C14 H8 D6 N4 O6 -","1","0.5","","Schmidtmann, Marc; Middlemiss, Derek S.; Wilson, Chick C.","Isotopomeric polymorphism in a “doubly-polymorphic” multi-component molecular crystal","CrystEngComm","2015","17","28","5273","","10.1039/C5CE00123D","","","0.71073","MoKα","","0.0373","0.0344","","","0.0953","0.0981","","","","","","1.112","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219986","6.9765","0.0007","8.1978","0.0008","13.1421","0.001","106.725","0.005","92.458","0.005","105.171","0.006","689.04","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","bis(isonicotinamide)-d-oxalic acid Form II","","- C14 H8 D6 N4 O6 -","- C14 H8 D6 N4 O6 -","- C28 H16 D12 N8 O12 -","2","1","","Schmidtmann, Marc; Middlemiss, Derek S.; Wilson, Chick C.","Isotopomeric polymorphism in a “doubly-polymorphic” multi-component molecular crystal","CrystEngComm","2015","17","28","5273","","10.1039/C5CE00123D","","","0.71073","MoKα","","0.086","0.0462","","","0.1178","0.1423","","","","","","1.005","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219987","7.697","0.0003","15.919","0.0005","16.027","0.0007","104.891","0.001","101.344","0.002","99.19","0.004","1814.35","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","1","","","- C26 H20 Cl8 Hg4 N6 -","- C26 H20 Cl8 Hg4 N6 -","- C52 H40 Cl16 Hg8 N12 -","2","1","","Mahmoudi, Ghodrat; Stilinović, Vladimir; Gargari, Masoumeh Servati; Bauzá, Antonio; Zaragoza, Guillermo; Kaminsky, Werner; Lynch, Vincent; Choquesillo-Lazarte, Duane; Sivakumar, K.; Khandar, Ali Akbar; Frontera, Antonio","From monomers to polymers: steric and supramolecular effects on dimensionality of coordination architectures of heteroleptic mercury(ii) halogenide‒tetradentate Schiff base complexes","CrystEngComm","2015","17","18","3493","","10.1039/C5CE00382B","","","0.71073","MoKα","","0.1363","0.0787","","","0.1929","0.2325","","","","","","0.964","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219988","8.7552","0.0008","14.1329","0.0014","23.646","0.002","90","","96.847","0.005","90","","2905","0.5","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Br4 Hg2 N6 -","- C26 H20 Br4 Hg2 N6 -","- C104 H80 Br16 Hg8 N24 -","4","1","","Mahmoudi, Ghodrat; Stilinović, Vladimir; Gargari, Masoumeh Servati; Bauzá, Antonio; Zaragoza, Guillermo; Kaminsky, Werner; Lynch, Vincent; Choquesillo-Lazarte, Duane; Sivakumar, K.; Khandar, Ali Akbar; Frontera, Antonio","From monomers to polymers: steric and supramolecular effects on dimensionality of coordination architectures of heteroleptic mercury(ii) halogenide‒tetradentate Schiff base complexes","CrystEngComm","2015","17","18","3493","","10.1039/C5CE00382B","","x-ray","0.7107","MoKα","","0.0652","0.0395","","","0.0776","0.0859","","","","","","1.03","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219989","9.3733","0.0007","35.998","0.002","9.8847","0.0006","90","","104.978","0.007","90","","3222","0.4","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H25 Br2 Hg N5 O -","- C34 H25 Br2 Hg N5 O -","- C136 H100 Br8 Hg4 N20 O4 -","4","1","","Mahmoudi, Ghodrat; Stilinović, Vladimir; Gargari, Masoumeh Servati; Bauzá, Antonio; Zaragoza, Guillermo; Kaminsky, Werner; Lynch, Vincent; Choquesillo-Lazarte, Duane; Sivakumar, K.; Khandar, Ali Akbar; Frontera, Antonio","From monomers to polymers: steric and supramolecular effects on dimensionality of coordination architectures of heteroleptic mercury(ii) halogenide‒tetradentate Schiff base complexes","CrystEngComm","2015","17","18","3493","","10.1039/C5CE00382B","","","0.71073","MoKα","","0.1233","0.0323","","","0.0402","0.0456","","","","","","0.681","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219990","9.7571","0.0006","11.5338","0.0008","14.2949","0.0012","68.98","0.004","83.774","0.004","68.968","0.003","1401.23","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 Hg I2 N6 -","- C26 H20 Hg I2 N6 -","- C52 H40 Hg2 I4 N12 -","2","1","","Mahmoudi, Ghodrat; Stilinović, Vladimir; Gargari, Masoumeh Servati; Bauzá, Antonio; Zaragoza, Guillermo; Kaminsky, Werner; Lynch, Vincent; Choquesillo-Lazarte, Duane; Sivakumar, K.; Khandar, Ali Akbar; Frontera, Antonio","From monomers to polymers: steric and supramolecular effects on dimensionality of coordination architectures of heteroleptic mercury(ii) halogenide‒tetradentate Schiff base complexes","CrystEngComm","2015","17","18","3493","","10.1039/C5CE00382B","","","1.54178","CuKα","","0.1169","0.0922","","","0.2389","0.2643","","","","","","1.032","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219991","8.764","0.0004","11.8787","0.0004","15.0315","0.0006","73.615","0.003","88.714","0.005","88.11","0.006","1500.34","0.11","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H28 Cl2 Hg N6 O -","- C29 H28 Cl2 Hg N6 O -","- C58 H56 Cl4 Hg2 N12 O2 -","2","1","","Mahmoudi, Ghodrat; Stilinović, Vladimir; Gargari, Masoumeh Servati; Bauzá, Antonio; Zaragoza, Guillermo; Kaminsky, Werner; Lynch, Vincent; Choquesillo-Lazarte, Duane; Sivakumar, K.; Khandar, Ali Akbar; Frontera, Antonio","From monomers to polymers: steric and supramolecular effects on dimensionality of coordination architectures of heteroleptic mercury(ii) halogenide‒tetradentate Schiff base complexes","CrystEngComm","2015","17","18","3493","","10.1039/C5CE00382B","","","0.71073","MoKα","","0.0658","0.0558","","","0.1349","0.1369","","","","","","1.025","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219992","9.536","0.0004","10.9904","0.0004","15.8293","0.0006","86.58","0.004","73.062","0.003","78.506","0.006","1555.19","0.11","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H48 Br8 Hg4 N12 -","- C56 H48 Br8 Hg4 N12 -","- C56 H48 Br8 Hg4 N12 -","1","0.5","","Mahmoudi, Ghodrat; Stilinović, Vladimir; Gargari, Masoumeh Servati; Bauzá, Antonio; Zaragoza, Guillermo; Kaminsky, Werner; Lynch, Vincent; Choquesillo-Lazarte, Duane; Sivakumar, K.; Khandar, Ali Akbar; Frontera, Antonio","From monomers to polymers: steric and supramolecular effects on dimensionality of coordination architectures of heteroleptic mercury(ii) halogenide‒tetradentate Schiff base complexes","CrystEngComm","2015","17","18","3493","","10.1039/C5CE00382B","","","0.71073","MoKα","","0.0475","0.0357","","","0.0965","0.0983","","","","","","1.057","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219993","10.3079","0.0004","18.8288","0.0007","11.5821","0.0005","90","","105.811","0.002","90","","2162.87","0.15","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 N6 -","- C26 H20 N6 -","- C104 H80 N24 -","4","1","","Mahmoudi, Ghodrat; Stilinović, Vladimir; Gargari, Masoumeh Servati; Bauzá, Antonio; Zaragoza, Guillermo; Kaminsky, Werner; Lynch, Vincent; Choquesillo-Lazarte, Duane; Sivakumar, K.; Khandar, Ali Akbar; Frontera, Antonio","From monomers to polymers: steric and supramolecular effects on dimensionality of coordination architectures of heteroleptic mercury(ii) halogenide‒tetradentate Schiff base complexes","CrystEngComm","2015","17","18","3493","","10.1039/C5CE00382B","","","0.71073","MoKα","","0.0902","0.0447","","","0.0972","0.1168","","","","","","1.01","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219994","9.6825","0.0015","11.376","0.002","12.377","0.002","74.062","0.003","76.504","0.003","66.011","0.003","1186.1","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H24 N6 -","- C28 H24 N6 -","- C56 H48 N12 -","2","1","","Mahmoudi, Ghodrat; Stilinović, Vladimir; Gargari, Masoumeh Servati; Bauzá, Antonio; Zaragoza, Guillermo; Kaminsky, Werner; Lynch, Vincent; Choquesillo-Lazarte, Duane; Sivakumar, K.; Khandar, Ali Akbar; Frontera, Antonio","From monomers to polymers: steric and supramolecular effects on dimensionality of coordination architectures of heteroleptic mercury(ii) halogenide‒tetradentate Schiff base complexes","CrystEngComm","2015","17","18","3493","","10.1039/C5CE00382B","","","0.71075","MoKα","","0.0505","0.0387","","","0.0835","0.0863","","","","","","1.033","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219998","24.313","0.012","8.866","0.004","23.638","0.012","90","","103.544","0.006","90","","4954","4","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H36 Ag N3 Nd2 O21 -","- C40 H36 Ag N3 Nd2 O21 -","- C160 H144 Ag4 N12 Nd8 O84 -","4","0.5","","Lin, Xiao-Ming; Ding, Yu-Jia; Liang, Shui-Mei; Ge, Si-Xiao; Wei, Lei-Ming; Xie, Ji-Qing; Zhang, Gang; Cai, Yue-Peng","Two series of Ln(iii)‒Ag(i) heterometallic‒organic frameworks constructed from isonicotinate and 2,2′-biphenyldicarboxylate: synthesis, structure and photoluminescence properties","CrystEngComm","2015","17","20","3800","","10.1039/C5CE00478K","","","0.71073","MoKα","","0.1136","0.0967","","","0.2915","0.1794","","","","","","1.098","","","","has coordinates,has disorder","180530","2020-10-21","18:00:00",""
"7219999","23.964","0.002","8.7801","0.0007","23.82","0.002","90","","103.087","0.001","90","","4881.7","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H36 Ag Eu2 N3 O21 -","- C40 H36 Ag Eu2 N3 O21 -","- C160 H144 Ag4 Eu8 N12 O84 -","4","0.5","","Lin, Xiao-Ming; Ding, Yu-Jia; Liang, Shui-Mei; Ge, Si-Xiao; Wei, Lei-Ming; Xie, Ji-Qing; Zhang, Gang; Cai, Yue-Peng","Two series of Ln(iii)‒Ag(i) heterometallic‒organic frameworks constructed from isonicotinate and 2,2′-biphenyldicarboxylate: synthesis, structure and photoluminescence properties","CrystEngComm","2015","17","20","3800","","10.1039/C5CE00478K","","","0.71073","MoKα","","0.0636","0.0549","","","0.1649","0.1728","","","","","","1.063","","","","has coordinates,has disorder","180530","2020-10-21","18:00:00",""
"7220000","23.4208","0.0018","8.7474","0.0007","24.1695","0.0019","90","","102.525","0.001","90","","4833.8","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H36 Ag Dy2 N3 O21 -","- C40 H36 Ag Dy2 N3 O21 -","- C160 H144 Ag4 Dy8 N12 O84 -","4","0.5","","Lin, Xiao-Ming; Ding, Yu-Jia; Liang, Shui-Mei; Ge, Si-Xiao; Wei, Lei-Ming; Xie, Ji-Qing; Zhang, Gang; Cai, Yue-Peng","Two series of Ln(iii)‒Ag(i) heterometallic‒organic frameworks constructed from isonicotinate and 2,2′-biphenyldicarboxylate: synthesis, structure and photoluminescence properties","CrystEngComm","2015","17","20","3800","","10.1039/C5CE00478K","","","0.71073","MoKα","","0.0648","0.0544","","","0.1713","0.1799","","","","","","1.094","","","","has coordinates,has disorder","180531","2020-10-21","18:00:00",""
"7220001","23.738","0.005","8.74","0.002","23.966","0.005","90","","102.618","0.003","90","","4852.1","1.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H36 Ag N3 O21 Tb2 -","- C40 H36 Ag N3 O21 Tb2 -","- C160 H144 Ag4 N12 O84 Tb8 -","4","0.5","","Lin, Xiao-Ming; Ding, Yu-Jia; Liang, Shui-Mei; Ge, Si-Xiao; Wei, Lei-Ming; Xie, Ji-Qing; Zhang, Gang; Cai, Yue-Peng","Two series of Ln(iii)‒Ag(i) heterometallic‒organic frameworks constructed from isonicotinate and 2,2′-biphenyldicarboxylate: synthesis, structure and photoluminescence properties","CrystEngComm","2015","17","20","3800","","10.1039/C5CE00478K","","","0.71073","MoKα","","0.0698","0.0531","","","0.1625","0.1782","","","","","","1.009","","","","has coordinates,has disorder","180531","2020-10-21","18:00:00",""
"7220002","8.8816","0.0009","10.0846","0.001","13.9316","0.0014","97.739","0.001","107.737","0.001","90.502","0.001","1176","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H32 Ag Ho2 N3 O19 -","- C40 H32 Ag Ho2 N3 O19 -","- C40 H32 Ag Ho2 N3 O19 -","1","0.5","","Lin, Xiao-Ming; Ding, Yu-Jia; Liang, Shui-Mei; Ge, Si-Xiao; Wei, Lei-Ming; Xie, Ji-Qing; Zhang, Gang; Cai, Yue-Peng","Two series of Ln(iii)‒Ag(i) heterometallic‒organic frameworks constructed from isonicotinate and 2,2′-biphenyldicarboxylate: synthesis, structure and photoluminescence properties","CrystEngComm","2015","17","20","3800","","10.1039/C5CE00478K","","","0.71073","MoKα","","0.0482","0.044","","","0.116","0.1189","","","","","","1.064","","","","has coordinates,has disorder","180531","2020-10-21","18:00:00",""
"7220003","8.8785","0.0009","10.0812","0.001","13.9267","0.0014","97.738","0.001","107.737","0.001","90.501","0.001","1174.8","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H32 Ag N3 O19 Yb2 -","- C40 H32 Ag N3 O19 Yb2 -","- C40 H32 Ag N3 O19 Yb2 -","1","0.5","","Lin, Xiao-Ming; Ding, Yu-Jia; Liang, Shui-Mei; Ge, Si-Xiao; Wei, Lei-Ming; Xie, Ji-Qing; Zhang, Gang; Cai, Yue-Peng","Two series of Ln(iii)‒Ag(i) heterometallic‒organic frameworks constructed from isonicotinate and 2,2′-biphenyldicarboxylate: synthesis, structure and photoluminescence properties","CrystEngComm","2015","17","20","3800","","10.1039/C5CE00478K","","","0.71073","MoKα","","0.0509","0.0468","","","0.1284","0.1316","","","","","","1.041","","","","has coordinates,has disorder","180531","2020-10-21","18:00:00",""
"7220004","13.669","0.003","15.925","0.003","14.633","0.003","90","","90","","90","","3185.3","1.1","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C14 H11 Co2 N O10 -","- C14 H11 Co2 N O10 -","- C112 H88 Co16 N8 O80 -","8","1","","Zhong, Di-Chang; Guo, Hua-Bin; Deng, Ji-Hua; Chen, Qing; Luo, Xu-Zhong","Two coordination polymers of benzene-1,2,4,5-tetracarboxylic acid (H4BTC): in situ ligand syntheses, structures, and luminescent properties","CrystEngComm","2015","17","18","3519","","10.1039/C5CE00461F","","","0.71073","MoKα","","0.0542","0.05","","","0.1401","0.1447","","","","","","1.066","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220005","19.576","0.006","18.535","0.006","7.8377","0.0016","90","","94.15","0.03","90","","2836.4","1.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H4 K0 N0 O25 Zn4 -","- C20 H4 O25 Zn4 -","- C80 H16 O100 Zn16 -","4","0.5","","Zhong, Di-Chang; Guo, Hua-Bin; Deng, Ji-Hua; Chen, Qing; Luo, Xu-Zhong","Two coordination polymers of benzene-1,2,4,5-tetracarboxylic acid (H4BTC): in situ ligand syntheses, structures, and luminescent properties","CrystEngComm","2015","17","18","3519","","10.1039/C5CE00461F","","","0.71073","MoKα","","0.0899","0.0654","","","0.2214","0.2389","","","","","","1.219","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220006","12.8418","0.0003","7.5487","0.0002","26.461","0.0006","90","","90","","90","","2565.1","0.11","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(E)-2-methoxy-6-{[(3-nitrophenyl)imino]methyl}phenol","","- C14 H12 N2 O4 -","- C14 H12 N2 O4 -","- C112 H96 N16 O32 -","8","1","","Carletta, A.; Dubois, J.; Tilborg, A.; Wouters, J.","Solid-state investigation on a new dimorphic substituted N-salicylidene compound: insights into its thermochromic behaviour","CrystEngComm","2015","17","18","3509","","10.1039/C5CE00283D","","","1.54184","CuKα","","0.046","0.0398","","","0.1083","0.1172","","","","","","1.046","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220007","4.7895","0.0003","11.3446","0.001","12.061","0.0009","93.472","0.007","100.357","0.006","94.022","0.006","641.28","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(E)-2-methoxy-6-{[(3-nitrophenyl)imino]methyl}phenol","","- C14 H12 N2 O4 -","- C14 H12 N2 O4 -","- C28 H24 N4 O8 -","2","1","","Carletta, A.; Dubois, J.; Tilborg, A.; Wouters, J.","Solid-state investigation on a new dimorphic substituted N-salicylidene compound: insights into its thermochromic behaviour","CrystEngComm","2015","17","18","3509","","10.1039/C5CE00283D","","","1.54184","CuKα","","0.048","0.0414","","","0.1195","0.127","","","","","","1.064","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220008","12.4915","0.0015","7.5972","0.0014","26.1737","0.0018","90","","90","","90","","2483.9","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","P3-PolymorphI-Pbca","","- C14 H12 N2 O4 -","- C14 H12 N2 O4 -","- C112 H96 N16 O32 -","8","1","","Carletta, A.; Dubois, J.; Tilborg, A.; Wouters, J.","Solid-state investigation on a new dimorphic substituted N-salicylidene compound: insights into its thermochromic behaviour","CrystEngComm","2015","17","18","3509","","10.1039/C5CE00283D","","","0.71073","MoKα","","0.0517","0.0419","","","0.099","0.1043","","","","","","1.085","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7220009","11.011","0.003","11.867","0.004","18.154","0.006","71.519","0.005","79.676","0.005","87.614","0.005","2213.1","1.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H24 N4 S10 Zn -","- C34 H24 N4 S10 Zn -","- C68 H48 N8 S20 Zn2 -","2","1","","Madhu, Vedichi; Sabbani, Supriya; Kishore, Ravada; Naik, Indravath K.; Das, Samar K.","Mechanical motion in the solid state and molecular recognition: reversible cis‒trans transformation of an organic receptor in a solid‒liquid crystalline state reaction triggered by anion exchange","CrystEngComm","2015","17","17","3219","","10.1039/C5CE00449G","","","0.71073","MoKα","","0.0847","0.0691","","","0.1876","0.1992","","","","","","1.112","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220010","16.7488","0.0009","12.8214","0.0009","30.458","0.002","90","","116.084","0.004","90","","5874.5","0.7","293","2","293","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C112 H98 Mn5 O44 -","- C108 H74 Mn5 O38 -","- C216 H148 Mn10 O76 -","2","0.5","","Zhang, Hong-Mei; Yang, Jin; Liu, Ying-Ying; Kang, Da-Wei; Ma, Jian-Fang","A family of coordination polymers assembled with a flexible hexacarboxylate ligand and auxiliary N-donor ligands: syntheses, structures, and physical properties","CrystEngComm","2015","17","16","3181","","10.1039/C5CE00181A","","","0.71073","MoKα","","0.1612","0.083","","","0.1674","0.1875","","","","","","1.085","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220011","11.461","0.0012","12.126","0.0014","13.13","0.002","99.683","0.004","106.979","0.003","99.307","0.005","1676.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H52 Mn3 N4 O18 -","- C78 H52 Mn3 N4 O18 -","- C78 H52 Mn3 N4 O18 -","1","0.5","","Zhang, Hong-Mei; Yang, Jin; Liu, Ying-Ying; Kang, Da-Wei; Ma, Jian-Fang","A family of coordination polymers assembled with a flexible hexacarboxylate ligand and auxiliary N-donor ligands: syntheses, structures, and physical properties","CrystEngComm","2015","17","16","3181","","10.1039/C5CE00181A","","","0.71069","MoKα","","0.1041","0.0628","","","0.144","0.1663","","","","","","1.015","","","","has coordinates,has disorder","180531","2020-10-21","18:00:00",""
"7220012","11.429","0.0007","12.378","0.0008","12.766","0.0009","100.579","0.005","107.948","0.006","100.603","0.005","1632.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H52 Mn3 N4 O18 -","- C74 H40 Mn3 N4 O18 -","- C74 H40 Mn3 N4 O18 -","1","0.5","","Zhang, Hong-Mei; Yang, Jin; Liu, Ying-Ying; Kang, Da-Wei; Ma, Jian-Fang","A family of coordination polymers assembled with a flexible hexacarboxylate ligand and auxiliary N-donor ligands: syntheses, structures, and physical properties","CrystEngComm","2015","17","16","3181","","10.1039/C5CE00181A","","","0.71069","MoKα","","0.1298","0.0758","","","0.1406","0.1636","","","","","","1.145","","","","has coordinates,has disorder","180531","2020-10-21","18:00:00",""
"7220013","11.4063","0.0009","12.4905","0.0007","12.9267","0.0009","101.825","0.005","108.484","0.006","99.617","0.005","1655.3","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H52 Cd3 N4 O18 -","- C74 H52 Cd3 N4 O18 -","- C74 H52 Cd3 N4 O18 -","1","0.5","","Zhang, Hong-Mei; Yang, Jin; Liu, Ying-Ying; Kang, Da-Wei; Ma, Jian-Fang","A family of coordination polymers assembled with a flexible hexacarboxylate ligand and auxiliary N-donor ligands: syntheses, structures, and physical properties","CrystEngComm","2015","17","16","3181","","10.1039/C5CE00181A","","","0.71073","MoKα","","0.0853","0.0535","","","0.1121","0.13","","","","","","1.054","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220014","11.427","0.0009","12.165","0.001","13.217","0.001","100.658","0.007","107.125","0.007","98.125","0.006","1687.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H52 Cd3 N4 O18 -","- C78 H40 Cd3 N4 O18 -","- C78 H40 Cd3 N4 O18 -","1","0.5","","Zhang, Hong-Mei; Yang, Jin; Liu, Ying-Ying; Kang, Da-Wei; Ma, Jian-Fang","A family of coordination polymers assembled with a flexible hexacarboxylate ligand and auxiliary N-donor ligands: syntheses, structures, and physical properties","CrystEngComm","2015","17","16","3181","","10.1039/C5CE00181A","","","0.71069","MoKα","","0.0831","0.0577","","","0.1371","0.1596","","","","","","1.03","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220015","14.37","0.0012","28.431","0.002","17.883","0.002","90","","100.673","0.005","90","","7179.8","1.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C79 H58 Co2 N4 Na O19.5 -","- C79 H53 Co2 N4 Na O19.5 -","- C316 H212 Co8 N16 Na4 O78 -","4","1","","Zhang, Hong-Mei; Yang, Jin; Liu, Ying-Ying; Kang, Da-Wei; Ma, Jian-Fang","A family of coordination polymers assembled with a flexible hexacarboxylate ligand and auxiliary N-donor ligands: syntheses, structures, and physical properties","CrystEngComm","2015","17","16","3181","","10.1039/C5CE00181A","","","0.71069","MoKα","","0.1142","0.0613","","","0.1348","0.1598","","","","","","1.029","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7220016","10.672","0.0007","12.394","0.0007","12.501","0.0007","75.378","0.005","73.453","0.005","87.968","0.005","1532.5","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H44 Co3 N2 O18 -","- C64 H44 Co3 N2 O18 -","- C64 H44 Co3 N2 O18 -","1","0.5","","Zhang, Hong-Mei; Yang, Jin; Liu, Ying-Ying; Kang, Da-Wei; Ma, Jian-Fang","A family of coordination polymers assembled with a flexible hexacarboxylate ligand and auxiliary N-donor ligands: syntheses, structures, and physical properties","CrystEngComm","2015","17","16","3181","","10.1039/C5CE00181A","","","0.71069","MoKα","","0.1035","0.0607","","","0.1392","0.1673","","","","","","1.018","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220017","32.986","0.0017","17.323","0.0015","28.382","0.0017","90","","148.758","0.014","90","","8411","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C94 H71 Cu2 N8 O18.5 -","- C94 H70 Cu2 N8 O18.5 -","- C376 H280 Cu8 N32 O74 -","4","0.5","","Zhang, Hong-Mei; Yang, Jin; Liu, Ying-Ying; Kang, Da-Wei; Ma, Jian-Fang","A family of coordination polymers assembled with a flexible hexacarboxylate ligand and auxiliary N-donor ligands: syntheses, structures, and physical properties","CrystEngComm","2015","17","16","3181","","10.1039/C5CE00181A","","","0.71069","MoKα","","0.3418","0.1593","","","0.2424","0.2919","","","","","","1.2","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7220018","8.92","0.0005","15.524","0.0008","15.861","0.0008","90.076","0.004","95.216","0.004","90.973","0.004","2186.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C102 H88 Cu2 N6 O22 -","- C102 H88 Cu2 N6 O22 -","- C102 H88 Cu2 N6 O22 -","1","0.5","","Zhang, Hong-Mei; Yang, Jin; Liu, Ying-Ying; Kang, Da-Wei; Ma, Jian-Fang","A family of coordination polymers assembled with a flexible hexacarboxylate ligand and auxiliary N-donor ligands: syntheses, structures, and physical properties","CrystEngComm","2015","17","16","3181","","10.1039/C5CE00181A","","","0.71069","MoKα","","0.0926","0.0591","","","0.1386","0.162","","","","","","1.025","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220019","3.8788","0.0005","26.948","0.003","13.6006","0.0013","90","","93.164","0.009","90","","1419.4","0.3","270","0.1","270","0.1","","","100","","","","","3","P 1 21/n 1","-P 2yn","14","","1,2,4-trichlorobenzene","","- C6 H3 Cl3 -","- C6 H3 Cl3 -","- C48 H24 Cl24 -","8","2","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Relations between compression and thermal contraction in 1,2,4-trichlorobenzene and melting of trichlorobenzene isomers","CrystEngComm","2015","17","18","3446","","10.1039/C4CE02289K","","","0.71073","MoKα","","0.1023","0.0756","","","0.207","0.2322","","","","","","1.091","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220020","3.7998","0.0004","26.683","0.003","13.4964","0.0013","90","","92.665","0.009","90","","1366.9","0.2","100","0.1","100","0.1","","","100","","","","","3","P 1 21/n 1","-P 2yn","14","","1,2,4-trichlorobenzene","","- C6 H3 Cl3 -","- C6 H3 Cl3 -","- C48 H24 Cl24 -","8","2","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Relations between compression and thermal contraction in 1,2,4-trichlorobenzene and melting of trichlorobenzene isomers","CrystEngComm","2015","17","18","3446","","10.1039/C4CE02289K","","","0.71073","MoKα","","0.0532","0.0428","","","0.1125","0.1208","","","","","","1.131","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220021","3.8459","0.0005","26.658","0.003","14.03","0.04","90","","93.63","0.05","90","","1436","4","295","2","295","2","","","160000","","","","","3","P 1 21/n 1","-P 2yn","14","","1,2,4-trichlorobenzene","","- C6 H3 Cl3 -","- C6 H3 Cl3 -","- C48 H24 Cl24 -","8","2","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Relations between compression and thermal contraction in 1,2,4-trichlorobenzene and melting of trichlorobenzene isomers","CrystEngComm","2015","17","18","3446","","10.1039/C4CE02289K","","","0.71073","MoKα","","0.0823","0.0601","","","0.1683","0.1895","","","","","","1.134","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220022","3.7825","0.0007","26.378","0.003","13.71","0.04","90","","93.76","0.06","90","","1365","4","295","2","295","2","","","640000","","","","","3","P 1 21/n 1","-P 2yn","14","","1,2,4-trichlorobenzene","","- C6 H3 Cl3 -","- C6 H3 Cl3 -","- C48 H24 Cl24 -","8","2","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Relations between compression and thermal contraction in 1,2,4-trichlorobenzene and melting of trichlorobenzene isomers","CrystEngComm","2015","17","18","3446","","10.1039/C4CE02289K","","","0.71073","MoKα","","0.1279","0.1112","","","0.284","0.3072","","","","","","1.446","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220023","28.9324","0.0008","7.7007","0.0002","16.0837","0.0004","90","","107.629","0.002","90","","3415.16","0.16","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H20 N6 O12 Zn2 -","- C28 H20 N6 O12 Zn2 -","- C112 H80 N24 O48 Zn8 -","4","0.5","","Bhattacharya, Biswajit; Haldar, Ritesh; Maity, Dilip Kumar; Maji, Tapas Kumar; Ghoshal, Debajyoti","Pillared-bilayer porous coordination polymers of Zn(ii): enhanced hydrophobicity of pore surface by changing the pillar functionality","CrystEngComm","2015","17","18","3478","","10.1039/C5CE00143A","","","0.71073","MoKα","","0.072","0.0596","","","0.211","0.2252","","","","","","1.122","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220024","28.825","0.012","7.737","0.002","16.014","0.006","90","","108.23","0.03","90","","3392","2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H18 N6 O12 Zn2 -","- C30 H18 N6 O12 Zn2 -","- C120 H72 N24 O48 Zn8 -","4","0.5","","Bhattacharya, Biswajit; Haldar, Ritesh; Maity, Dilip Kumar; Maji, Tapas Kumar; Ghoshal, Debajyoti","Pillared-bilayer porous coordination polymers of Zn(ii): enhanced hydrophobicity of pore surface by changing the pillar functionality","CrystEngComm","2015","17","18","3478","","10.1039/C5CE00143A","","","0.71073","MoKα","","0.0726","0.0483","","","0.137","0.1544","","","","","","1.029","","","","has coordinates,has disorder","180531","2020-10-21","18:00:00",""
"7220033","10.134","0.005","11.529","0.005","11.698","0.005","107.863","0.005","95.831","0.005","92.552","0.005","1290","1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H27 N O10 Zn2 -","- C25 H27 N O10 Zn2 -","- C50 H54 N2 O20 Zn4 -","2","1","","Xu, Guohai; Xie, Min; Li, Xiaokang; Shi, Wenjie; Yu, Hui; Hu, Yinhui; Xun, Xiaochen; Xie, Yongrong","Four binuclear coordination polymers with a 63net and self-assembly of 2D 63topology into different supramolecular networks using unit‒unit H-bonds","CrystEngComm","2015","17","19","3677","","10.1039/C5CE00264H","","","0.71069","MoKα","","0.0675","0.0433","","","0.0944","0.1046","","","","","","1.042","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220034","10.1815","0.0011","11.5501","0.0012","11.6759","0.0012","108.454","0.001","96.56","0.002","92.829","0.002","1288.6","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H27 Co2 N O10 -","- C25 H27 Co2 N O10 -","- C50 H54 Co4 N2 O20 -","2","1","","Xu, Guohai; Xie, Min; Li, Xiaokang; Shi, Wenjie; Yu, Hui; Hu, Yinhui; Xun, Xiaochen; Xie, Yongrong","Four binuclear coordination polymers with a 63net and self-assembly of 2D 63topology into different supramolecular networks using unit‒unit H-bonds","CrystEngComm","2015","17","19","3677","","10.1039/C5CE00264H","","","0.71073","MoKα","","0.0497","0.0406","","","0.1043","0.1105","","","","","","1.036","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220035","10.706","0.0005","11.234","0.0005","11.467","0.0006","93.608","0.001","111.597","0.001","107.995","0.001","1195.02","0.1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H23 N O9 Zn2 -","- C23 H23 N O9 Zn2 -","- C46 H46 N2 O18 Zn4 -","2","1","","Xu, Guohai; Xie, Min; Li, Xiaokang; Shi, Wenjie; Yu, Hui; Hu, Yinhui; Xun, Xiaochen; Xie, Yongrong","Four binuclear coordination polymers with a 63net and self-assembly of 2D 63topology into different supramolecular networks using unit‒unit H-bonds","CrystEngComm","2015","17","19","3677","","10.1039/C5CE00264H","","","0.71073","MoKα","","0.0377","0.0293","","","0.0725","0.0766","","","","","","1.056","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220036","16.635","0.005","9.405","0.005","25.855","0.005","90","","96.657","0.005","90","","4018","3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H47 Co2 N O12 -","- C39 H47 Co2 N O12 -","- C156 H188 Co8 N4 O48 -","4","1","","Xu, Guohai; Xie, Min; Li, Xiaokang; Shi, Wenjie; Yu, Hui; Hu, Yinhui; Xun, Xiaochen; Xie, Yongrong","Four binuclear coordination polymers with a 63net and self-assembly of 2D 63topology into different supramolecular networks using unit‒unit H-bonds","CrystEngComm","2015","17","19","3677","","10.1039/C5CE00264H","","","0.71069","MoKα","","0.0884","0.0481","","","0.117","0.1485","","","","","","1.037","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220037","12.913","0.001","13.7018","0.001","14.1084","0.0011","114.394","0.001","107.217","0.001","98.206","0.001","2068.3","0.3","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H31 Cd N9 O14 -","- C41 H31 Cd N9 O14 -","- C82 H62 Cd2 N18 O28 -","2","1","","Roy, Subhadip; Bauza, Antonio; Frontera, Antonio; Banik, Rupak; Purkayastha, Atanu; Drew, Michael G. B.; Reddy, Benjaram M.; Sridhar, Balasubramanian; Das, Saroj Kr.; Das, Subrata","Experimental observation and theoretical investigation of a novel Cd(ii) complex with π-hole interactions involving nitro groups","CrystEngComm","2015","17","21","3912","","10.1039/C5CE00453E","","","0.71073","MoKα","","0.0376","0.0332","","","0.0827","0.0858","","","","","","0.981","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220053","32.105","0.005","15.068","0.005","9.331","0.005","90","","90.772","0.005","90","","4514","3","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","catena-(hexakis(?2-cyanido)-decacyanido-tris(1,4,8,11-tetraazacyclotetra decane)-tri-nickel-di-tungsten solvate)","","- C48 H96 N28 Ni3 O10 W2 -","- C47.9996 H48 N28 Ni3 O10 W2 -","- C95.9992 H96 N56 Ni6 O20 W4 -","2","0.25","","Nowicka, Beata; Reczyński, Mateusz; Rams, Michał; Nitek, Wojciech; Kozieł, Marcin; Sieklucka, Barbara","Larger pores and higher Tc: {[Ni(cyclam)]3[W(CN)8]2·solv}n‒ a new member of the largest family of pseudo-polymorphic isomers among octacyanometallate-based assemblies","CrystEngComm","2015","17","18","3526","","10.1039/C5CE00287G","","","0.71069","MoKα","","0.0354","0.0307","","","0.0866","0.0892","","","","","","1.102","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220059","6.7137","0.0007","13.1237","0.0014","11.9402","0.0012","90","","120.524","0.006","90","","906.24","0.17","295","","295","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- B10 D10 Na2 -","- B10 D10 Na2 -","- B40 D40 Na8 -","4","1","","Wu, Hui; Tang, Wan Si; Zhou, Wei; Stavila, Vitalie; Rush, John J.; Udovic, Terrence J.","The structure of monoclinic Na2B10H10: a combined diffraction, spectroscopy, and theoretical approach","CrystEngComm","2015","17","18","3533","","10.1039/C5CE00369E","powder diffraction","neutron","1.5398","","","","","","","","","0.06862","","1.09","","","","","","","has coordinates","291143","2024-04-09","08:49:27",""
"7220060","6.6535","0.0005","12.9636","0.001","11.851","0.0009","90","","120.203","0.004","90","","883.42","0.12","2.5","","2.5","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- B10 D10 Na2 -","- B10 D10 Na2 -","- B40 D40 Na8 -","4","1","","Wu, Hui; Tang, Wan Si; Zhou, Wei; Stavila, Vitalie; Rush, John J.; Udovic, Terrence J.","The structure of monoclinic Na2B10H10: a combined diffraction, spectroscopy, and theoretical approach","CrystEngComm","2015","17","18","3533","","10.1039/C5CE00369E","powder diffraction","neutron","1.5398","","","","","","","","","0.03762","","1.14","","","","","","","has coordinates","291143","2024-04-09","08:49:46",""
"7220091","11.0678","0.0016","23.228","0.004","27.246","0.004","90","","90","","90","","7004.5","1.9","123","","123","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C73 H71 Au2 Cl3 N4 O4 P2 -","- C73 H71 Au2 Cl3 N4 O4 P2 -","- C292 H284 Au8 Cl12 N16 O16 P8 -","4","1","","Sakamoto, Yuki; Moriuchi, Toshiyuki; Hirao, Toshikazu","Dinuclear organogold(i) complexes bearing uracil moieties: chirality of Au(i)‒Au(i) axis and self-assembly","CrystEngComm","2015","17","18","3460","","10.1039/C5CE00221D","","","0.71075","MoKα","","0.0945","0.078","","","0.1998","0.2106","","","","","","1.035","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220092","30.3688","0.0018","26.6704","0.0015","21.7986","0.0012","90","","109.056","0.0016","90","","16688.2","1.7","277","","277","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C68 H72 Au2 Cl2 N4 O5 P2 -","- C68 H72 Au2 Cl2 N4 O5 P2 -","- C544 H576 Au16 Cl16 N32 O40 P16 -","8","1","","Sakamoto, Yuki; Moriuchi, Toshiyuki; Hirao, Toshikazu","Dinuclear organogold(i) complexes bearing uracil moieties: chirality of Au(i)‒Au(i) axis and self-assembly","CrystEngComm","2015","17","18","3460","","10.1039/C5CE00221D","","","0.71075","MoKα","","0.1348","0.0542","","","0.1418","0.1788","","","","","","0.832","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220093","10.6798","0.0006","14.292","0.0007","22.3083","0.0013","97.4663","0.0016","90.7906","0.0016","91.1556","0.0014","3375","0.3","277","","277","","","","","","","","","7","P -1","-P 1","2","","","","- C69 H76 Au2 Cl2 N4 O6 P2 -","- C69 H76 Au2 Cl2 N4 O6 P2 -","- C138 H152 Au4 Cl4 N8 O12 P4 -","2","1","","Sakamoto, Yuki; Moriuchi, Toshiyuki; Hirao, Toshikazu","Dinuclear organogold(i) complexes bearing uracil moieties: chirality of Au(i)‒Au(i) axis and self-assembly","CrystEngComm","2015","17","18","3460","","10.1039/C5CE00221D","","","0.71075","MoKα","","0.2","0.0827","","","0.1781","0.2321","","","","","","0.964","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220253","11.455","0.002","8.5195","0.0017","16.698","0.003","90","","103.81","0.03","90","","1582.5","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[Co(tdzdc)(4,4?-bipy)(H2O)]n","","- C14 H10 Co N4 O5 S -","- C14 H10 Co N4 O5 S -","- C56 H40 Co4 N16 O20 S4 -","4","1","","Zhao, Zhen-Xin; Li, Yun-Wu; Liu, Sui-Jun; Wang, Li-Fu; Chang, Ze; Xu, Jian; Zhang, Ying-Hui","Topological modulation of metal‒thiadiazole dicarboxylate coordination polymers through auxiliary ligand alteration","CrystEngComm","2015","17","23","4301","","10.1039/C5CE00649J","","","0.71073","MoKα","","0.0418","0.0374","","","0.082","0.084","","","","","","1.091","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220254","34.618","0.007","10.056","0.002","7.5334","0.0015","90","","100.66","0.03","90","","2577.3","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","{[Zn2(tdzdc)2(4,4?-bipy)(H2O)2]?3H2O}n","","- C18 H18 N6 O13 S2 Zn2 -","- C18 H8 N6 O13 S2 Zn2 -","- C72 H32 N24 O52 S8 Zn8 -","4","0.5","","Zhao, Zhen-Xin; Li, Yun-Wu; Liu, Sui-Jun; Wang, Li-Fu; Chang, Ze; Xu, Jian; Zhang, Ying-Hui","Topological modulation of metal‒thiadiazole dicarboxylate coordination polymers through auxiliary ligand alteration","CrystEngComm","2015","17","23","4301","","10.1039/C5CE00649J","","","0.71073","MoKα","","0.1021","0.0946","","","0.2215","0.225","","","","","","1.133","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220255","14.944","0.003","16.94","0.003","10.384","0.002","90","","123.74","0.03","90","","2186","1.1","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","{[Co(tdzdc)(bpp)(H2O)]?3H2O}n","","- C17 H20 Co N4 O8 S -","- C17 H14 Co N4 O8 S -","- C68 H56 Co4 N16 O32 S4 -","4","1","","Zhao, Zhen-Xin; Li, Yun-Wu; Liu, Sui-Jun; Wang, Li-Fu; Chang, Ze; Xu, Jian; Zhang, Ying-Hui","Topological modulation of metal‒thiadiazole dicarboxylate coordination polymers through auxiliary ligand alteration","CrystEngComm","2015","17","23","4301","","10.1039/C5CE00649J","","","0.71073","MoKα","","0.0392","0.0348","","","0.0785","0.0807","","","","","","1.084","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220256","14.55","0.003","10.115","0.002","7.4802","0.0015","90","","95.76","0.03","90","","1095.3","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Zn2(tdzdc)2(obpy)(H2O)2]n","","- C9 H6 N3 O6 S Zn -","- C9 H6 N3 O6 S Zn -","- C36 H24 N12 O24 S4 Zn4 -","4","1","","Zhao, Zhen-Xin; Li, Yun-Wu; Liu, Sui-Jun; Wang, Li-Fu; Chang, Ze; Xu, Jian; Zhang, Ying-Hui","Topological modulation of metal‒thiadiazole dicarboxylate coordination polymers through auxiliary ligand alteration","CrystEngComm","2015","17","23","4301","","10.1039/C5CE00649J","","","0.71073","MoKα","","0.0851","0.0722","","","0.1747","0.182","","","","","","1.153","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220257","10.772","0.002","18.039","0.004","18.646","0.004","90","","90","","90","","3623.2","1.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[Zn(tdzdc)(tmb)]n","","- C16 H12 N8 O4 S Zn -","- C16 H12 N8 O4 S Zn -","- C128 H96 N64 O32 S8 Zn8 -","8","1","","Zhao, Zhen-Xin; Li, Yun-Wu; Liu, Sui-Jun; Wang, Li-Fu; Chang, Ze; Xu, Jian; Zhang, Ying-Hui","Topological modulation of metal‒thiadiazole dicarboxylate coordination polymers through auxiliary ligand alteration","CrystEngComm","2015","17","23","4301","","10.1039/C5CE00649J","","","0.71073","MoKα","","0.083","0.0581","","","0.1003","0.1088","","","","","","1.141","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220258","7.6957","0.0003","10.2182","0.0005","15.9408","0.0009","86.945","0.004","86.035","0.004","76.831","0.004","1216.73","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 N2 O21 Tb2 -","- C16 H20 N2 O21 Tb2 -","- C32 H40 N4 O42 Tb4 -","2","1","","Zhang, Lijuan; Zhu, Hongwei; Guo, Yan; Zhou, Yunshan; Yue, Qing; Shi, Zonghai","Synthesis, structures and photoluminescence of a series of 3D lanthanide‒organic coordination polymers constructed from versatile 2,2′-bipyridine-3,3′-dicarboxylic acid 1,1′-dioxide and oxalic acid","CrystEngComm","2015","17","22","4150","","10.1039/C5CE00479A","","","0.71073","MoKα","","0.0454","0.0353","","","0.0617","0.0664","","","","","","1.025","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220259","7.7297","0.0004","10.2725","0.0005","16.0234","0.0009","86.817","0.004","85.974","0.005","77.107","0.004","1236.13","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 Eu2 N2 O21 -","- C16 H20 Eu2 N2 O21 -","- C32 H40 Eu4 N4 O42 -","2","1","","Zhang, Lijuan; Zhu, Hongwei; Guo, Yan; Zhou, Yunshan; Yue, Qing; Shi, Zonghai","Synthesis, structures and photoluminescence of a series of 3D lanthanide‒organic coordination polymers constructed from versatile 2,2′-bipyridine-3,3′-dicarboxylic acid 1,1′-dioxide and oxalic acid","CrystEngComm","2015","17","22","4150","","10.1039/C5CE00479A","","","0.71073","MoKα","","0.0684","0.0454","","","0.0655","0.0734","","","","","","1.008","","","","has coordinates","138510","2020-10-21","18:00:00",""
"7220260","6.39","0.0003","9.8657","0.0006","12.5336","0.0009","92.036","0.003","97.215","0.004","94.435","0.004","780.72","0.08","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H20 O7 U -","- C14 H20 O7 U -","- C28 H40 O14 U2 -","2","1","","Thuéry, Pierre; Harrowfield, Jack","Solvent effects in solvo-hydrothermal synthesis of uranyl ion complexes with 1,3-adamantanediacetate","CrystEngComm","2015","17","21","4006","","10.1039/C5CE00401B","","","0.71073","MoKα","","0.0333","0.0268","","","0.0567","0.0582","","","","","","1.013","","","","has coordinates","138539","2020-10-21","18:00:00",""
"7220261","11.9941","0.0006","12.8275","0.0007","13.8161","0.0007","90","","106.114","0.003","90","","2042.15","0.19","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H27 N O7 U -","- C19 H27 N O7 U -","- C76 H108 N4 O28 U4 -","4","1","","Thuéry, Pierre; Harrowfield, Jack","Solvent effects in solvo-hydrothermal synthesis of uranyl ion complexes with 1,3-adamantanediacetate","CrystEngComm","2015","17","21","4006","","10.1039/C5CE00401B","","","0.71073","MoKα","","0.0504","0.0281","","","0.0528","0.0568","","","","","","0.95","","","","has coordinates,has disorder","138539","2020-10-21","18:00:00",""
"7220262","22.0938","0.0011","9.487","0.0003","17.2485","0.0009","90","","117.251","0.002","90","","3214.1","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H19.5 N0.5 O6 U -","- C15 H19.5 N0.5 O6 U -","- C120 H156 N4 O48 U8 -","8","1","","Thuéry, Pierre; Harrowfield, Jack","Solvent effects in solvo-hydrothermal synthesis of uranyl ion complexes with 1,3-adamantanediacetate","CrystEngComm","2015","17","21","4006","","10.1039/C5CE00401B","","","0.71073","MoKα","","0.0303","0.024","","","0.055","0.0565","","","","","","1.073","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220263","8.4491","0.0006","25.5329","0.0014","9.3969","0.0008","90","","94.063","0.005","90","","2022.1","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H25 N O7 U -","- C17 H25 N O7 U -","- C68 H100 N4 O28 U4 -","4","1","","Thuéry, Pierre; Harrowfield, Jack","Solvent effects in solvo-hydrothermal synthesis of uranyl ion complexes with 1,3-adamantanediacetate","CrystEngComm","2015","17","21","4006","","10.1039/C5CE00401B","","","0.71073","MoKα","","0.0944","0.0773","","","0.1842","0.1927","","","","","","1.189","","","","has coordinates","138539","2020-10-21","18:00:00",""
"7220264","16.5765","0.0004","13.5501","0.0004","24.0775","0.0008","90","","95.8","0.002","90","","5380.4","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H76 N2 O19 U2 -","- C46 H76 N2 O19 U2 -","- C184 H304 N8 O76 U8 -","4","1","","Thuéry, Pierre; Harrowfield, Jack","Solvent effects in solvo-hydrothermal synthesis of uranyl ion complexes with 1,3-adamantanediacetate","CrystEngComm","2015","17","21","4006","","10.1039/C5CE00401B","","","0.71073","MoKα","","0.0682","0.0384","","","0.0828","0.09","","","","","","0.984","","","","has coordinates","138539","2020-10-21","18:00:00",""
"7220265","10.9563","0.0008","12.8519","0.001","14.8421","0.0012","70.974","0.002","83.543","0.002","86.737","0.002","1962.7","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H26 Eu2 N4 O13 -","- C42 H26 Eu2 N4 O13 -","- C84 H52 Eu4 N8 O26 -","2","1","","Huo, Rui; Li, Xia; Ma, Dou","Lanthanide coordination frameworks constructed from 1,3-benzenedicarboxylate, oxalate and 1,10-phenanthroline: crystal structure, multicolor luminescence and high-efficiency white light emission","CrystEngComm","2015","17","20","3838","","10.1039/C5CE00548E","","","0.71073","MoKα","","0.087","0.0554","","","0.1074","0.1297","","","","","","0.995","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220266","10.8919","0.0015","12.852","0.0017","14.933","0.002","70.463","0.003","82.65","0.002","85.85","0.003","1952.8","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H26 N4 O13 Tb2 -","- C42 H26 N4 O13 Tb2 -","- C84 H52 N8 O26 Tb4 -","2","1","","Huo, Rui; Li, Xia; Ma, Dou","Lanthanide coordination frameworks constructed from 1,3-benzenedicarboxylate, oxalate and 1,10-phenanthroline: crystal structure, multicolor luminescence and high-efficiency white light emission","CrystEngComm","2015","17","20","3838","","10.1039/C5CE00548E","","","0.71073","MoKα","","0.1191","0.057","","","0.077","0.0953","","","","","","0.822","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220267","10.7901","0.0009","12.8494","0.001","15.0261","0.0012","69.573","0.001","81.107","0.002","84.518","0.002","1926.9","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H26 N4 O13 Yb2 -","- C42 H26 N4 O13 Yb2 -","- C84 H52 N8 O26 Yb4 -","2","1","","Huo, Rui; Li, Xia; Ma, Dou","Lanthanide coordination frameworks constructed from 1,3-benzenedicarboxylate, oxalate and 1,10-phenanthroline: crystal structure, multicolor luminescence and high-efficiency white light emission","CrystEngComm","2015","17","20","3838","","10.1039/C5CE00548E","","","0.71073","MoKα","","0.0742","0.0478","","","0.0935","0.1074","","","","","","0.913","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220268","10.239","0.0008","6.0429","0.0004","16.454","0.002","90","","95.999","0.008","90","","1012.49","0.16","150","0.1","150","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Quinizarin","1,4-dihydroxyanthraquinone","","- C14 H8 O4 -","- C14 H8 O4 -","- C56 H32 O16 -","4","1","","Cheuk, Dominic; Svärd, Michael; Seaton, Colin; McArdle, Patrick; Rasmuson, Åke C.","Investigation into solid and solution properties of quinizarin","CrystEngComm","2015","17","21","3985","","10.1039/C5CE00147A","","","0.71073","MoKα","","0.0566","0.0464","","","0.1213","0.1314","","","","","","0.984","","","","has coordinates","138540","2020-10-21","18:00:00",""
"7220269","20.0099","0.0012","24.6219","0.0009","18.3201","0.0011","90","","116.274","0.008","90","","8093.5","0.9","93","2","93","2","","","","","","","","3","C 1 c 1","C -2yc","9","Quinizarin","1,4-dihydroxyanthraquinone","","- C14 H8 O4 -","- C14 H8 O4 -","- C448 H256 O128 -","32","8","","Cheuk, Dominic; Svärd, Michael; Seaton, Colin; McArdle, Patrick; Rasmuson, Åke C.","Investigation into solid and solution properties of quinizarin","CrystEngComm","2015","17","21","3985","","10.1039/C5CE00147A","","","0.71073","MoKα","","0.0672","0.0441","","","0.1086","0.1253","","","","","","1.034","","","","has coordinates","138540","2020-10-21","18:00:00",""
"7220270","11.0209","0.0001","16.093","0.0002","26.6261","0.0004","90","","90.074","0.001","90","","4722.38","0.1","123","0.1","123","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C-methyl tetramethoxy resorcinarene bis-crown-5","C-methyl tetramethoxy resorcinarene bis-crown-5","","- C52 H68 O14 -","- C52 H68 O14 -","- C208 H272 O56 -","4","1","","Helttunen, Kaisa; Tero, Tiia-Riikka; Nissinen, Maija","Influence of lower rim C-methyl group on crystal forms and metal complexation of resorcinarene bis-crown-5","CrystEngComm","2015","17","19","3667","","10.1039/C5CE00311C","","","1.5418","CuKα","","0.0594","0.0499","","","0.1361","0.1455","","","","","","1.023","","","","has coordinates","138556","2020-10-21","18:00:00",""
"7220271","11.3557","0.0013","13.324","0.002","16.537","0.003","108.171","0.008","94.406","0.008","92.266","0.007","2365","0.6","173","2","173.15","","","","","","","","","3","P -1","-P 1","2","C-methyl tetramethoxy resorcinarene bis-crown-5","C-methyl tetramethoxy resorcinarene bis-crown-5","","- C52 H68 O14 -","- C52 H68 O14 -","- C104 H136 O28 -","2","1","","Helttunen, Kaisa; Tero, Tiia-Riikka; Nissinen, Maija","Influence of lower rim C-methyl group on crystal forms and metal complexation of resorcinarene bis-crown-5","CrystEngComm","2015","17","19","3667","","10.1039/C5CE00311C","","","1.54178","CuKα","","0.0898","0.0556","","","0.1303","0.1503","","","","","","1.027","","","","has coordinates,has disorder","138556","2020-10-21","18:00:00",""
"7220272","8.9268","0.0003","14.4126","0.0007","20.6525","0.0011","85.264","0.002","85.152","0.002","73.771","0.003","2537.3","0.2","173","2","173.15","","","","","","","","","4","P -1","-P 1","2","C-methyl tetramethoxy resorcinarene bis-crown-5 acetonitrile solvate","C-methyl tetramethoxy resorcinarene bis-crown-5 acetonitrile solvate","","- C54 H71 N O14 -","- C54 H71 N O14 -","- C108 H142 N2 O28 -","2","1","","Helttunen, Kaisa; Tero, Tiia-Riikka; Nissinen, Maija","Influence of lower rim C-methyl group on crystal forms and metal complexation of resorcinarene bis-crown-5","CrystEngComm","2015","17","19","3667","","10.1039/C5CE00311C","","","1.54178","CuKα","","0.0809","0.0526","","","0.1215","0.1393","","","","","","1.018","","","","has coordinates,has disorder","138556","2020-10-21","18:00:00",""
"7220273","17.9718","0.0004","19.3215","0.0003","15.5981","0.0002","90","","102.183","0.0017","90","","5294.33","0.16","123.01","0.1","123.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","C-methyl tetramethoxy resorcinarene bis-crown-5 dichloromethane methanol solvate","C-methyl tetramethoxy resorcinarene bis-crown-5 dichloromethane methanol solvate","","- C54 H74 Cl2 O15 -","- C54 H74 Cl2 O15 -","- C216 H296 Cl8 O60 -","4","1","","Helttunen, Kaisa; Tero, Tiia-Riikka; Nissinen, Maija","Influence of lower rim C-methyl group on crystal forms and metal complexation of resorcinarene bis-crown-5","CrystEngComm","2015","17","19","3667","","10.1039/C5CE00311C","","","1.5418","CuKα","","0.1117","0.0932","","","0.2789","0.2996","","","","","","1.075","","","","has coordinates,has disorder","138556","2020-10-21","18:00:00",""
"7220274","17.5687","0.0004","23.0884","0.0005","15.7904","0.0003","90","","108.034","0.002","90","","6090.4","0.2","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","C-methyl tetramethoxy resorcinarene bis-crown-5 chloroform solvate","C-methyl tetramethoxy resorcinarene bis-crown-5 chloroform solvate","","- C55 H71 Cl9 O14 -","- C55 H71 Cl9 O14 -","- C220 H284 Cl36 O56 -","4","1","","Helttunen, Kaisa; Tero, Tiia-Riikka; Nissinen, Maija","Influence of lower rim C-methyl group on crystal forms and metal complexation of resorcinarene bis-crown-5","CrystEngComm","2015","17","19","3667","","10.1039/C5CE00311C","","","0.71073","MoKα","","0.1329","0.086","","","0.2238","0.2632","","","","","","1.022","","","","has coordinates","138556","2020-10-21","18:00:00",""
"7220275","13.2706","0.0003","15.2318","0.0003","16.1051","0.0004","80.0591","0.0019","89.3602","0.0019","88.922","0.0018","3205.86","0.13","123","0.1","123","0.1","","","","","","","","6","P -1","-P 1","2","di-cesium C-methyl tetramethoxy resorcinarene bis-crown-5 bis(hexafluorophosphate) acetone solvate","di-cesium C-methyl tetramethoxy resorcinarene bis-crown-5 bis(hexafluorophosphate) acetone solvate","","- C53.5 H71 Cs2 F12 O14.5 P2 -","- C53.5 H71 Cs2 F12 O14.5 P2 -","- C107 H142 Cs4 F24 O29 P4 -","2","1","","Helttunen, Kaisa; Tero, Tiia-Riikka; Nissinen, Maija","Influence of lower rim C-methyl group on crystal forms and metal complexation of resorcinarene bis-crown-5","CrystEngComm","2015","17","19","3667","","10.1039/C5CE00311C","","","1.54184","CuKα","","0.047","0.0408","","","0.1086","0.1138","","","","","","1.029","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7220276","19.9517","0.0004","16.9799","0.0004","17.9735","0.0004","90","","105.634","0.002","90","","5863.7","0.2","123.01","0.1","123.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","disilver C-methyl tetramethoxy resorcinarene bis-crown-5 di(hexafluorophosphate)","disilver C-methyl tetramethoxy resorcinarene bis-crown-5 di(hexafluorophosphate)","","- C53.5 H72.5 Ag2 F12 O15.25 P2 -","- C52 H68 Ag2 F12 O14 P2 -","- C208 H272 Ag8 F48 O56 P8 -","4","0.5","","Helttunen, Kaisa; Tero, Tiia-Riikka; Nissinen, Maija","Influence of lower rim C-methyl group on crystal forms and metal complexation of resorcinarene bis-crown-5","CrystEngComm","2015","17","19","3667","","10.1039/C5CE00311C","","","1.54184","CuKα","","0.0635","0.056","","","0.1684","0.177","","","","","","1.073","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7220277","21.0806","0.0005","37.7868","0.0008","14.1827","0.0003","90","","90","","90","","11297.5","0.4","123.01","0.1","123.01","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","silver C-methyl tetramethoxy resorcinarene bis-crown-5 trifluoromethanesulfonate ethanol solvate hydrate","silver C-methyl tetramethoxy resorcinarene bis-crown-5 trifluoromethanesulfonate ethanol solvate hydrate","","- C54 H76 Ag F3 O20 S -","- C54.5 H74 Ag F3 O20 S -","- C436 H592 Ag8 F24 O160 S8 -","8","1","","Helttunen, Kaisa; Tero, Tiia-Riikka; Nissinen, Maija","Influence of lower rim C-methyl group on crystal forms and metal complexation of resorcinarene bis-crown-5","CrystEngComm","2015","17","19","3667","","10.1039/C5CE00311C","","","1.54184","CuKα","","0.1002","0.0869","","","0.2543","0.2731","","","","","","1.041","","","","has coordinates,has disorder","138556","2020-10-21","18:00:00",""
"7220278","15.805","0.0007","16.2661","0.0007","18.4549","0.0006","94.688","0.003","95.58","0.003","117.328","0.004","4151.9","0.3","123","0.1","123","0.1","","","","","","","","5","P -1","-P 1","2","C-methyl tetramethoxy resorcinarene mono-crown-5 chloroform solvate monohydrate","C-methyl tetramethoxy resorcinarene mono-crown-5 chloroform solvate monohydrate","","- C44.5 H56 Cl1.5 D0.5 O12 -","- C44.5 H56.5 Cl1.5 O12 -","- C178 H226 Cl6 O48 -","4","2","","Helttunen, Kaisa; Tero, Tiia-Riikka; Nissinen, Maija","Influence of lower rim C-methyl group on crystal forms and metal complexation of resorcinarene bis-crown-5","CrystEngComm","2015","17","19","3667","","10.1039/C5CE00311C","","","1.54184","CuKα","","0.097","0.0744","","","0.2054","0.2335","","","","","","1.031","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7220279","17.5554","0.0003","13.43772","0.00018","19.9408","0.0004","90","","114.831","0.002","90","","4269.23","0.14","173","2","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","C-methyl tetramethoxy resorcinarene mono-crown-5 acetonitrilesolvate","C-methyl tetramethoxy resorcinarene mono-crown-5 acetonitrile solvate","","- C46 H57 N O11 -","- C46 H57 N O11 -","- C184 H228 N4 O44 -","4","1","","Helttunen, Kaisa; Tero, Tiia-Riikka; Nissinen, Maija","Influence of lower rim C-methyl group on crystal forms and metal complexation of resorcinarene bis-crown-5","CrystEngComm","2015","17","19","3667","","10.1039/C5CE00311C","","","0.71073","MoKα","","0.0552","0.0434","","","0.1026","0.1104","","","","","","1.023","","","","has coordinates,has disorder","138556","2020-10-21","18:00:00",""
"7220280","5.7534","0.0003","9.4518","0.0005","11.2735","0.0009","90","","90","","90","","613.05","0.07","293","2","293","2","","","","","","","","4","P m m n :2","-P 2ab 2a","59","","","","- B N O10 Pb6 -","- B N O10 Pb6 -","- B2 N2 O20 Pb12 -","2","0.25","","Song, Jun-Ling; Xu, Xiang; Hu, Chun-Li; Kong, Fang; Mao, Jiang-Gao","A facile strategy to adjust the density of planar triangle units in lead borate‒nitrates","CrystEngComm","2015","17","21","3953","","10.1039/C5CE00509D","","","0.71073","MoKα","","0.0511","0.0409","","","0.0778","0.0817","","","","","","1.086","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220281","12.589","0.007","15.197","0.007","9.669","0.005","90","","115.502","0.008","90","","1669.6","1.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- B2 H N3 O17 Pb6 -","- B2 N3 O16 Pb6 -","- B8 N12 O64 Pb24 -","4","0.5","","Song, Jun-Ling; Xu, Xiang; Hu, Chun-Li; Kong, Fang; Mao, Jiang-Gao","A facile strategy to adjust the density of planar triangle units in lead borate‒nitrates","CrystEngComm","2015","17","21","3953","","10.1039/C5CE00509D","","","0.71073","MoKα","","0.0583","0.0472","","","0.1116","0.1151","","","","","","0.979","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220282","9.0637","0.0003","9.9713","0.0004","11.6123","0.0005","85.559","0.003","79.021","0.003","88.64","0.003","1027.14","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- B2 H N3 O19 Pb8 -","- B2 N3 O19 Pb8 -","- B4 N6 O38 Pb16 -","2","1","","Song, Jun-Ling; Xu, Xiang; Hu, Chun-Li; Kong, Fang; Mao, Jiang-Gao","A facile strategy to adjust the density of planar triangle units in lead borate‒nitrates","CrystEngComm","2015","17","21","3953","","10.1039/C5CE00509D","","","0.71073","MoKα","","0.0268","0.0218","","","0.0342","0.0364","","","","","","0.924","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220283","8.8603","0.0007","15.0334","0.0012","15.751","0.0012","91.487","0.002","101.436","0.002","104.501","0.001","1984.5","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","tetraarylpyrene","tetraarylpyrene","","- C110 H94 O4 -","- C110 H94 O4 -","- C110 H94 O4 -","1","0.5","","Moorthy, Jarugu Narasimha; Natarajan, Palani; Krishna, Manchugondanahalli S.; Nagarajaiah, Honnappa; Venugopalan, Paloth","Isomorphous three-component crystals (pseudopolymorphs of binary cocrystals) based on lattice inclusion of guests with a sterically-rigidified tetraarylpyrene host","CrystEngComm","2015","17","28","5307","","10.1039/C5CE00243E","","","0.71073","MoKα","","0.069","0.0513","","","0.1309","0.1447","","","","","","1.041","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220284","16.743","0.006","11.222","0.004","20.629","0.007","90","","110.342","0.006","90","","3634","2","100","2","100","2","","","","","","","","3","P 1 2/n 1","-P 2yac","13","tetraarylpyrene","tetraarylpyrene","","- C44 H59 O2 -","- C44 H59 O2 -","- C176 H236 O8 -","4","1","","Moorthy, Jarugu Narasimha; Natarajan, Palani; Krishna, Manchugondanahalli S.; Nagarajaiah, Honnappa; Venugopalan, Paloth","Isomorphous three-component crystals (pseudopolymorphs of binary cocrystals) based on lattice inclusion of guests with a sterically-rigidified tetraarylpyrene host","CrystEngComm","2015","17","28","5307","","10.1039/C5CE00243E","","","0.71073","MoKα","","0.1378","0.078","","","0.1881","0.2159","","","","","","1.067","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220285","16.7","0.005","11.277","0.004","20.825","0.007","90","","110.134","0.007","90","","3682","2","100","2","100","2","","","","","","","","3","P 1 2/n 1","-P 2yac","13","tetraarylpyrene","tetraarylpyrene","","- C45 H60 O2 -","- C45 H60 O2 -","- C180 H240 O8 -","4","1","","Moorthy, Jarugu Narasimha; Natarajan, Palani; Krishna, Manchugondanahalli S.; Nagarajaiah, Honnappa; Venugopalan, Paloth","Isomorphous three-component crystals (pseudopolymorphs of binary cocrystals) based on lattice inclusion of guests with a sterically-rigidified tetraarylpyrene host","CrystEngComm","2015","17","28","5307","","10.1039/C5CE00243E","","","0.71073","MoKα","","0.1765","0.0883","","","0.2046","0.2447","","","","","","1.051","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220286","17.096","0.004","11.004","0.002","21.653","0.005","90","","110.79","0.004","90","","3808.2","1.4","100","2","100","2","","","","","","","","3","P 1 2/n 1","-P 2yac","13","tetraarylpyrene","tetraarylpyrene","","- C45 H61 O2 -","- C45 H61 O2 -","- C180 H244 O8 -","4","1","","Moorthy, Jarugu Narasimha; Natarajan, Palani; Krishna, Manchugondanahalli S.; Nagarajaiah, Honnappa; Venugopalan, Paloth","Isomorphous three-component crystals (pseudopolymorphs of binary cocrystals) based on lattice inclusion of guests with a sterically-rigidified tetraarylpyrene host","CrystEngComm","2015","17","28","5307","","10.1039/C5CE00243E","","","0.71073","MoKα","","0.1871","0.0986","","","0.2617","0.3125","","","","","","1.089","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220287","8.126","0.002","8.979","0.003","14.064","0.004","71.815","0.007","75.414","0.007","66.78","0.007","886.1","0.4","100","2","100","2","","","","","","","","3","P -1","-P 1","2","tetraarylpyrene","tetraarylpyrene","","- C48 H42 O4 -","- C48 H42 O4 -","- C48 H42 O4 -","1","0.5","","Moorthy, Jarugu Narasimha; Natarajan, Palani; Krishna, Manchugondanahalli S.; Nagarajaiah, Honnappa; Venugopalan, Paloth","Isomorphous three-component crystals (pseudopolymorphs of binary cocrystals) based on lattice inclusion of guests with a sterically-rigidified tetraarylpyrene host","CrystEngComm","2015","17","28","5307","","10.1039/C5CE00243E","","","0.71073","MoKα","","0.0664","0.0486","","","0.1252","0.1339","","","","","","1.037","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220288","11.057","0.005","12.6","0.005","13.982","0.005","82.66","0.005","84.841","0.005","82.541","0.005","1910.3","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H29 Cd2 N4 O8.5 -","- C44 H28 Cd2 N4 O8.5 -","- C88 H56 Cd4 N8 O17 -","2","1","","Yang, Liu; Qin, Chao; Song, Bai-Qiao; Li, Xiao; Wang, Chun-Gang; Su, Zhong-Min","Syntheses, structures, magnetic and luminescence properties of a series of coordination polymers constructed from 1,4-naphthalenedicarboxylate and N-donor ligands","CrystEngComm","2015","17","24","4517","","10.1039/C5CE00539F","","","0.71069","MoKα","","0.0538","0.0357","","","0.0845","0.093","","","","","","1.029","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220289","11.561","0.005","14.705","0.005","11.867","0.005","90","","95.169","0.005","90","","2009.2","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H15 Cd N2 O4.5 -","- C24 H14 Cd N2 O4.5 -","- C96 H56 Cd4 N8 O18 -","4","1","","Yang, Liu; Qin, Chao; Song, Bai-Qiao; Li, Xiao; Wang, Chun-Gang; Su, Zhong-Min","Syntheses, structures, magnetic and luminescence properties of a series of coordination polymers constructed from 1,4-naphthalenedicarboxylate and N-donor ligands","CrystEngComm","2015","17","24","4517","","10.1039/C5CE00539F","","","0.71069","MoKα","","0.0447","0.0294","","","0.066","0.0717","","","","","","1.027","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220290","15.0315","0.0014","10.8209","0.001","20.331","0.0019","90","","106.002","0.002","90","","3178.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H24 Cu2 N6 O9 -","- C31 H22 Cu2 N6 O8 -","- C124 H88 Cu8 N24 O32 -","4","1","","Yang, Liu; Qin, Chao; Song, Bai-Qiao; Li, Xiao; Wang, Chun-Gang; Su, Zhong-Min","Syntheses, structures, magnetic and luminescence properties of a series of coordination polymers constructed from 1,4-naphthalenedicarboxylate and N-donor ligands","CrystEngComm","2015","17","24","4517","","10.1039/C5CE00539F","","","0.71073","MoKα","","0.0923","0.0474","","","0.0834","0.0925","","","","","","1.023","","","","has coordinates","143406","2020-10-21","18:00:00",""
"7220291","15.481","0.005","15.415","0.005","15.994","0.005","90","","118.221","0.005","90","","3363.1","1.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H66 Co3 N8 O18 -","- C72 H66 Co3 N8 O18 -","- C144 H132 Co6 N16 O36 -","2","0.5","","Yang, Liu; Qin, Chao; Song, Bai-Qiao; Li, Xiao; Wang, Chun-Gang; Su, Zhong-Min","Syntheses, structures, magnetic and luminescence properties of a series of coordination polymers constructed from 1,4-naphthalenedicarboxylate and N-donor ligands","CrystEngComm","2015","17","24","4517","","10.1039/C5CE00539F","","","0.71069","MoKα","","0.063","0.0439","","","0.1071","0.1172","","","","","","1.02","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220292","9.7473","0.0019","15.238","0.003","30.16","0.006","90","","93.463","0.003","90","","4471.5","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H36 Cd2 N10 O11 -","- C48 H34.5 Cd2 N10 O11 -","- C192 H138 Cd8 N40 O44 -","4","1","","Yang, Liu; Qin, Chao; Song, Bai-Qiao; Li, Xiao; Wang, Chun-Gang; Su, Zhong-Min","Syntheses, structures, magnetic and luminescence properties of a series of coordination polymers constructed from 1,4-naphthalenedicarboxylate and N-donor ligands","CrystEngComm","2015","17","24","4517","","10.1039/C5CE00539F","","","0.71073","MoKα","","0.1349","0.0821","","","0.2085","0.2446","","","","","","1.018","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220293","13.135","0.001","13.135","0.001","5.8794","0.0012","90","","90","","120","","878.5","0.2","296","2","296","2","","","","","","","","6","P 3","P 3","143","","","","- C21 H15 Co Dy N3 O15 -","- C21 H15 Co Dy N3 O15 -","- C21 H15 Co Dy N3 O15 -","1","0.333333","","Yang, Ting-Hai; Silva, Ana Rosa; Shi, Fa-Nian","Two dimensional porous 3d‒4f heterometallic coordination polymers constructed by pyridine-2,3-dicarboxylic acid","CrystEngComm","2015","17","20","3852","","10.1039/C5CE00009B","","","0.71073","MoKα","","0.0228","0.0227","","","0.057","0.057","","","","","","1.001","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220294","13.0601","0.0003","13.0601","0.0003","5.8637","0.0003","90","","90","","120","","866.15","0.05","296","2","296","2","","","","","","","","6","P 3","P 3","143","","","","- C21 H15 Co Ho N3 O15 -","- C21 H15 Co Ho N3 O15 -","- C21 H15 Co Ho N3 O15 -","1","0.333333","","Yang, Ting-Hai; Silva, Ana Rosa; Shi, Fa-Nian","Two dimensional porous 3d‒4f heterometallic coordination polymers constructed by pyridine-2,3-dicarboxylic acid","CrystEngComm","2015","17","20","3852","","10.1039/C5CE00009B","","","0.71073","MoKα","","0.0297","0.0291","","","0.0581","0.0583","","","","","","1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220295","13.0479","0.0003","13.0479","0.0003","5.8596","0.0002","90","","90","","120","","863.93","0.04","296","2","296","2","","","","","","","","6","P 3","P 3","143","","","","- C21 H15 Co Er N3 O15 -","- C21 H15 Co Er N3 O15 -","- C21 H15 Co Er N3 O15 -","1","0.333333","","Yang, Ting-Hai; Silva, Ana Rosa; Shi, Fa-Nian","Two dimensional porous 3d‒4f heterometallic coordination polymers constructed by pyridine-2,3-dicarboxylic acid","CrystEngComm","2015","17","20","3852","","10.1039/C5CE00009B","","","0.71073","MoKα","","0.0304","0.0299","","","0.0606","0.0609","","","","","","1.001","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220296","13.0373","0.0003","13.0373","0.0003","5.8491","0.0003","90","","90","","120","","860.98","0.05","296","2","296","2","","","","","","","","6","P 3","P 3","143","","","","- C21 H15 Co N3 O15 Tm -","- C21 H15 Co N3 O15 Tm -","- C21 H15 Co N3 O15 Tm -","1","0.333333","","Yang, Ting-Hai; Silva, Ana Rosa; Shi, Fa-Nian","Two dimensional porous 3d‒4f heterometallic coordination polymers constructed by pyridine-2,3-dicarboxylic acid","CrystEngComm","2015","17","20","3852","","10.1039/C5CE00009B","","","0.71073","MoKα","","0.0336","0.0329","","","0.0666","0.0669","","","","","","1.002","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220297","15.4619","0.0008","16.9321","0.0008","19.698","0.001","90","","110.386","0.005","90","","4834","0.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C146 H48 B2 Cl4 N12 O2 -","- C146 H48 B2 Cl4 N12 O2 -","- C292 H96 B4 Cl8 N24 O4 -","2","1","","Konarev, Dmitri V.; Troyanov, Sergey I.; Lyubovskaya, Rimma N.","Coordination complex of boron subphthalocyanine (BSubPc) with fluorenone pinacolate: effective π‒π interaction of concave BSubPc macrocycle with fullerene C60","CrystEngComm","2015","17","21","3923","","10.1039/C5CE00754B","","","0.85507","synchrotron","","0.1058","0.0808","","","0.1919","0.2045","","","","","","1.005","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220298","9.687","0.002","17.32","0.005","12.544","0.003","90","","108.034","0.007","90","","2001.2","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H18 N2 Pd S7 -","- C13 H18 N2 Pd S7 -","- C52 H72 N8 Pd4 S28 -","4","1","","Espa, Davide; Pilia, Luca; Marchiò, Luciano; Attar, Salahuddin S.; Barsella, Alberto; Fort, Alain; Mercuri, Maria Laura; Serpe, Angela; Deplano, Paola","Structural changes in MIIdithione/dithiolato complexes (M = Ni, Pd, Pt) on varying the dithione functionalization","CrystEngComm","2015","17","22","4161","","10.1039/C5CE00469A","","","0.71073","MoKα","","0.0475","0.0289","","","0.0633","0.0673","","","","","","1.004","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220299","14.578","0.001","16.218","0.001","16.257","0.001","90","","90","","90","","3843.6","0.4","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H18 N2 Pt S7 -","- C13 H18 N2 Pt S7 -","- C104 H144 N16 Pt8 S56 -","8","1","","Espa, Davide; Pilia, Luca; Marchiò, Luciano; Attar, Salahuddin S.; Barsella, Alberto; Fort, Alain; Mercuri, Maria Laura; Serpe, Angela; Deplano, Paola","Structural changes in MIIdithione/dithiolato complexes (M = Ni, Pd, Pt) on varying the dithione functionalization","CrystEngComm","2015","17","22","4161","","10.1039/C5CE00469A","","","0.71073","MoKα","","0.0582","0.0294","","","0.0641","0.0738","","","","","","1.009","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220300","18.7965","0.001","13.9047","0.0008","12.8843","0.0006","90","","96.01","0.004","90","","3348.9","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[di-(3-trimethylammonium-benzoic acid)-(3-trimethylammonium-benzoate)]diiodide","","- C30 H41 I2 N3 O6 -","- C30 H41 I2 N3 O6 -","- C120 H164 I8 N12 O24 -","4","1","","Ostrowska, Kinga; Kowalczyk, Iwona; Kaźmierczak, Michał; Katrusiak, Andrzej; Szafran, Mirosław; Komasa, Anna; Dega-Szafran, Zofia","Rare stoichiometry of carboxyl‒carboxylate benzbetaine complexes: in vitro versus in silico","CrystEngComm","2015","17","22","4143","","10.1039/C5CE00054H","","","0.71073","MoKα","","0.1164","0.0553","","","0.0715","0.1651","","","","","","1.021","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220301","37.3738","0.0017","13.9167","0.0011","12.8674","0.0007","90","","90","","90","","6692.6","0.7","296","2","296","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","[di-(3-trimethylammonium-benzoic acid)-(3-trimethylammonium-benzoate)]diiodide","","- C30 H41 I2 N3 O6 -","- C30 H41 I2 N3 O6 -","- C240 H328 I16 N24 O48 -","8","1","","Ostrowska, Kinga; Kowalczyk, Iwona; Kaźmierczak, Michał; Katrusiak, Andrzej; Szafran, Mirosław; Komasa, Anna; Dega-Szafran, Zofia","Rare stoichiometry of carboxyl‒carboxylate benzbetaine complexes: in vitro versus in silico","CrystEngComm","2015","17","22","4143","","10.1039/C5CE00054H","","","0.71073","MoKα","","0.1384","0.0639","","","0.0823","0.1033","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220302","8.1929","0.0002","11.3278","0.0003","13.1285","0.0003","90","","105.735","0.003","90","","1172.76","0.05","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","3-trimethylammonium-benzoic acid iodide","3-trimethylammonium-benzoic acid iodide","","- C10 H14 I N O2 -","- C10 H14 I N O2 -","- C40 H56 I4 N4 O8 -","4","1","","Ostrowska, Kinga; Kowalczyk, Iwona; Kaźmierczak, Michał; Katrusiak, Andrzej; Szafran, Mirosław; Komasa, Anna; Dega-Szafran, Zofia","Rare stoichiometry of carboxyl‒carboxylate benzbetaine complexes: in vitro versus in silico","CrystEngComm","2015","17","22","4143","","10.1039/C5CE00054H","","","0.71073","MoKα","","0.0765","0.0675","","","0.1846","0.1988","","","","","","1.017","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220303","7.7212","0.0008","11.4938","0.0012","11.997","0.0012","90","","115.507","0.001","90","","960.91","0.17","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Bi2 Mo2.66 O12 W0.34 -","- Bi2 Mo2.656 O12 W0.344 -","- Bi8 Mo10.624 O48 W1.376 -","4","1","","Tian, Xiangxin; Wu, Qian; Zhao, Peng; Wang, Zheng; Feng, Xiaoxiao; Li, Conggang; Sun, Youxuan; Wang, Shanpeng; Gao, Zeliang; Tao, Xutang","Top-seeded solution growth and characterization of a Bi2Mo2.66W0.34O12single crystal","CrystEngComm","2015","17","24","4525","","10.1039/C5CE00639B","","","0.71069","MoKα","","0.0353","0.0249","","","0.0449","0.0479","","","","","","1.009","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220304","4.7574","0.0007","11.0476","0.0017","26.177","0.005","90","","90","","90","","1375.8","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","pyrazolo[1,5-a]pyrimidine","2-methyl-5-(4-bromophenyl)-7-trifluoromethylpyrazolo[1,5-a]pyrimidine","","- C14 H9 Br F3 N3 -","- C14 H9 Br F3 N3 -","- C56 H36 Br4 F12 N12 -","4","1","","Frizzo, Clarissa P.; Tier, Aniele Z.; Gindri, Izabelle M.; Meyer, Alexandre R.; Black, Gabrielle; Belladona, Andrei L.; Martins, Marcos A. P.","Thermodynamic, energetic, and topological properties of crystal packing of pyrazolo[1,5-a]pyrimidines governed by weak electrostatic intermolecular interactions","CrystEngComm","2015","17","23","4325","","10.1039/C5CE00613A","","","0.71073","MoKα","","0.0905","0.0441","","","0.0991","0.1262","","","","","","1.008","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220305","3.9185","0.0003","10.5324","0.001","25.539","0.002","90","","90.642","0.003","90","","1053.96","0.15","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","pyrazolo[1,5-a]pyrimidine","2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine","","- C13 H11 N3 -","- C13 H11 N3 -","- C52 H44 N12 -","4","1","","Frizzo, Clarissa P.; Tier, Aniele Z.; Gindri, Izabelle M.; Meyer, Alexandre R.; Black, Gabrielle; Belladona, Andrei L.; Martins, Marcos A. P.","Thermodynamic, energetic, and topological properties of crystal packing of pyrazolo[1,5-a]pyrimidines governed by weak electrostatic intermolecular interactions","CrystEngComm","2015","17","23","4325","","10.1039/C5CE00613A","","","0.71073","MoKα","","0.0931","0.0515","","","0.1373","0.163","","","","","","1.034","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220306","3.8161","0.0002","10.6532","0.0005","25.8317","0.0012","90","","90.724","0.003","90","","1050.07","0.09","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","pyrazolo[1,5-a]pyrimidine","2-methyl-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine","","- C13 H10 F N3 -","- C13 H10 F N3 -","- C52 H40 F4 N12 -","4","1","","Frizzo, Clarissa P.; Tier, Aniele Z.; Gindri, Izabelle M.; Meyer, Alexandre R.; Black, Gabrielle; Belladona, Andrei L.; Martins, Marcos A. P.","Thermodynamic, energetic, and topological properties of crystal packing of pyrazolo[1,5-a]pyrimidines governed by weak electrostatic intermolecular interactions","CrystEngComm","2015","17","23","4325","","10.1039/C5CE00613A","","","0.71073","MoKα","","0.1022","0.0553","","","0.1472","0.1941","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220307","3.9134","0.0001","10.8096","0.0002","13.8568","0.0003","90","","96.907","0.001","90","","581.92","0.02","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","pyrazolo[1,5-a]pyrimidine","2-methyl-7-(4-bromophenyl)-pyrazolo[1,5-a]pyrimidine","","- C13 H10 Br N3 -","- C13 H10 Br N3 -","- C26 H20 Br2 N6 -","2","1","","Frizzo, Clarissa P.; Tier, Aniele Z.; Gindri, Izabelle M.; Meyer, Alexandre R.; Black, Gabrielle; Belladona, Andrei L.; Martins, Marcos A. P.","Thermodynamic, energetic, and topological properties of crystal packing of pyrazolo[1,5-a]pyrimidines governed by weak electrostatic intermolecular interactions","CrystEngComm","2015","17","23","4325","","10.1039/C5CE00613A","","","0.71073","MoKα","","0.0759","0.0464","","","0.1055","0.1173","","","","","","1.042","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220308","4.0774","0.0003","12.7591","0.0006","19.5223","0.0009","90","","90","","90","","1015.63","0.1","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","pyrazolo[1,5-a]pyrimidine","2-methyl-7-(pyrid-2-yl)pyrazolo[1,5-a]pyrimidine","","- C12 H10 N4 -","- C12 H10 N4 -","- C48 H40 N16 -","4","1","","Frizzo, Clarissa P.; Tier, Aniele Z.; Gindri, Izabelle M.; Meyer, Alexandre R.; Black, Gabrielle; Belladona, Andrei L.; Martins, Marcos A. P.","Thermodynamic, energetic, and topological properties of crystal packing of pyrazolo[1,5-a]pyrimidines governed by weak electrostatic intermolecular interactions","CrystEngComm","2015","17","23","4325","","10.1039/C5CE00613A","","","0.71073","MoKα","","0.1094","0.0507","","","0.1222","0.1464","","","","","","0.957","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220309","7.8462","0.0005","11.2089","0.0009","16.8641","0.0012","90","","92.389","0.005","90","","1481.86","0.18","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-methyl-5-(naphthalen-2-yl)-7-(trifluorometh","","","- C18 H12 F3 N3 -","- C18 H12 F3 N3 -","- C72 H48 F12 N12 -","4","1","","Frizzo, Clarissa P.; Tier, Aniele Z.; Gindri, Izabelle M.; Meyer, Alexandre R.; Black, Gabrielle; Belladona, Andrei L.; Martins, Marcos A. P.","Thermodynamic, energetic, and topological properties of crystal packing of pyrazolo[1,5-a]pyrimidines governed by weak electrostatic intermolecular interactions","CrystEngComm","2015","17","23","4325","","10.1039/C5CE00613A","","","0.71073","MoKα","","0.191","0.0535","","","0.1099","0.1521","","","","","","0.954","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220310","10.3016","0.0007","16.0564","0.0011","6.8555","0.0006","90","","93.098","0.005","90","","1132.29","0.15","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","pyrazolo[1,5-a]pyrimidine","2,5-dimethyl-7-(trichloromethyl)pyrazolo[1,5-a]pyrimidine","","- C9 H8 Cl3 N3 -","- C9 H8 Cl3 N3 -","- C36 H32 Cl12 N12 -","4","1","","Frizzo, Clarissa P.; Tier, Aniele Z.; Gindri, Izabelle M.; Meyer, Alexandre R.; Black, Gabrielle; Belladona, Andrei L.; Martins, Marcos A. P.","Thermodynamic, energetic, and topological properties of crystal packing of pyrazolo[1,5-a]pyrimidines governed by weak electrostatic intermolecular interactions","CrystEngComm","2015","17","23","4325","","10.1039/C5CE00613A","","","0.71073","MoKα","","0.1291","0.0754","","","0.1958","0.2157","","","","","","0.878","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220311","11.2451","0.0008","5.8697","0.0004","20.9201","0.0016","90","","104.896","0.005","90","","1334.43","0.17","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","pyrazolo[1,5-a]pyrimidine","2-methyl-7-tricholoromethyl-5-propylpyrazolo[1,5-a]pyrimidine","","- C11 H12 Cl3 N3 -","- C11 H12 Cl3 N3 -","- C44 H48 Cl12 N12 -","4","1","","Frizzo, Clarissa P.; Tier, Aniele Z.; Gindri, Izabelle M.; Meyer, Alexandre R.; Black, Gabrielle; Belladona, Andrei L.; Martins, Marcos A. P.","Thermodynamic, energetic, and topological properties of crystal packing of pyrazolo[1,5-a]pyrimidines governed by weak electrostatic intermolecular interactions","CrystEngComm","2015","17","23","4325","","10.1039/C5CE00613A","","","0.71073","MoKα","","0.0576","0.0361","","","0.1069","0.1361","","","","","","1.1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220312","7.4329","0.0002","6.7756","0.0002","11.1667","0.0003","90","","90.276","0.001","90","","562.37","0.03","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","pyrazolo[1,5-a]pyrimidine","3-bromo-2-methyl-7-tricholomethylpyrazolo[1,5-a]pyrimidine","","- C8 H5 Br Cl3 N3 -","- C8 H5 Br Cl3 N3 -","- C16 H10 Br2 Cl6 N6 -","2","1","","Frizzo, Clarissa P.; Tier, Aniele Z.; Gindri, Izabelle M.; Meyer, Alexandre R.; Black, Gabrielle; Belladona, Andrei L.; Martins, Marcos A. P.","Thermodynamic, energetic, and topological properties of crystal packing of pyrazolo[1,5-a]pyrimidines governed by weak electrostatic intermolecular interactions","CrystEngComm","2015","17","23","4325","","10.1039/C5CE00613A","","","0.71073","MoKα","","0.0482","0.0362","","","0.0954","0.1008","","","","","","1.063","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220313","9.6363","0.0003","6.9353","0.0002","9.8541","0.0003","90","","111.24","0.002","90","","613.82","0.03","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","pyrazolo[1,5-a]pyrimidine","3-bromo -2,5-dimethyl-7-trichoromethylpyrazolo[1,5-a]pyrimidine","","- C9 H7 Br Cl3 N3 -","- C9 H7 Br Cl3 N3 -","- C18 H14 Br2 Cl6 N6 -","2","1","","Frizzo, Clarissa P.; Tier, Aniele Z.; Gindri, Izabelle M.; Meyer, Alexandre R.; Black, Gabrielle; Belladona, Andrei L.; Martins, Marcos A. P.","Thermodynamic, energetic, and topological properties of crystal packing of pyrazolo[1,5-a]pyrimidines governed by weak electrostatic intermolecular interactions","CrystEngComm","2015","17","23","4325","","10.1039/C5CE00613A","","","0.71073","MoKα","","0.0578","0.0416","","","0.1251","0.1357","","","","","","1.072","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220314","4.8715","0.0002","11.2655","0.0005","13.5584","0.0006","110.225","0.003","96.808","0.003","99.835","0.003","675.13","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","pyrazolo[1,5-a]pyrimidine","2-methyl-5-p-tolyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine","","- C15 H12 F3 N3 -","- C15 H12 F3 N3 -","- C30 H24 F6 N6 -","2","1","","Frizzo, Clarissa P.; Tier, Aniele Z.; Gindri, Izabelle M.; Meyer, Alexandre R.; Black, Gabrielle; Belladona, Andrei L.; Martins, Marcos A. P.","Thermodynamic, energetic, and topological properties of crystal packing of pyrazolo[1,5-a]pyrimidines governed by weak electrostatic intermolecular interactions","CrystEngComm","2015","17","23","4325","","10.1039/C5CE00613A","","","0.71073","MoKα","","0.0959","0.0595","","","0.1859","0.2282","","","","","","1.056","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220315","4.7929","0.0004","10.5914","0.0009","26.224","0.002","90","","90","","90","","1331.22","0.19","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","chlorophenyl trifluoromethyl methylpyrirazole pyridine","5-(4-chlorophenyl)-7-trifluoromethyl-2-methylpyrirazole[1,5-a]pyridine","","- C14 H9 Cl F3 N3 -","- C14 H9 Cl F3 N3 -","- C56 H36 Cl4 F12 N12 -","4","1","","Frizzo, Clarissa P.; Tier, Aniele Z.; Gindri, Izabelle M.; Meyer, Alexandre R.; Black, Gabrielle; Belladona, Andrei L.; Martins, Marcos A. P.","Thermodynamic, energetic, and topological properties of crystal packing of pyrazolo[1,5-a]pyrimidines governed by weak electrostatic intermolecular interactions","CrystEngComm","2015","17","23","4325","","10.1039/C5CE00613A","","","0.71073","MoKα","","0.0642","0.0367","","","0.0766","0.0878","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220316","16.126","0.003","8.7468","0.0017","9.3691","0.0019","90","","90","","90","","1321.5","0.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","N, N-diisopropylpropan-1-ammonium perchlorate","","- C9 H22 Cl N O4 -","- C9 H22 Cl N O4 -","- C36 H88 Cl4 N4 O16 -","4","1","","Wang, Wen-Xiang; Huang, Yao","High temperature phase transitions in N,N-diisopropylpropan-1-ammonium perchlorate","CrystEngComm","2015","17","20","3783","","10.1039/C4CE02562H","","","0.71073","MoKα","","0.0805","0.0491","","","0.1052","0.1173","","","","","","1.046","","","","has coordinates","138536","2020-10-21","18:00:00",""
"7220317","16.424","0.018","32.97","0.04","7.432","0.01","90","","92.02","0.03","90","","4022","9","123","2","123","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H14.98 N2 O4 Zn -","- C26 H14.982 N2 O4 Zn -","- C104 H59.928 N8 O16 Zn4 -","4","0.5","","Bai, Jie; Zhou, Hao-Long; Liao, Pei-Qin; Zhang, Wei-Xiong; Chen, Xiao-Ming","Structural diversity of coordination polymers controlled by the metal ion as the sole reaction variable","CrystEngComm","2015","17","24","4462","","10.1039/C5CE00349K","","","1.54187","CuKα","","0.0731","0.0689","","","0.2051","0.2151","","","","","","1.076","","","","has coordinates,has disorder","143414","2020-10-21","18:00:00",""
"7220318","8.5983","0.0006","10.15","0.0007","16.0657","0.001","75.657","0.002","88.717","0.002","67.973","0.002","1255.35","0.15","123","2","123.15","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H16 Cu N2 O4 -","- C26 H16 Cu N2 O4 -","- C52 H32 Cu2 N4 O8 -","2","1","","Bai, Jie; Zhou, Hao-Long; Liao, Pei-Qin; Zhang, Wei-Xiong; Chen, Xiao-Ming","Structural diversity of coordination polymers controlled by the metal ion as the sole reaction variable","CrystEngComm","2015","17","24","4462","","10.1039/C5CE00349K","","","0.71073","MoKα","","0.0752","0.0559","","","0.1713","0.182","","","","","","1.06","","","","has coordinates,has disorder","143414","2020-10-21","18:00:00",""
"7220319","25.938","0.003","18.158","0.002","16.7929","0.0019","90","","116.945","0.002","90","","7050.6","1.4","123","2","123.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C77 H63 Co3 N7 O16 -","- C77 H63 Co3 N7 O16 -","- C308 H252 Co12 N28 O64 -","4","1","","Bai, Jie; Zhou, Hao-Long; Liao, Pei-Qin; Zhang, Wei-Xiong; Chen, Xiao-Ming","Structural diversity of coordination polymers controlled by the metal ion as the sole reaction variable","CrystEngComm","2015","17","24","4462","","10.1039/C5CE00349K","","","0.71073","MoKα","","0.059","0.048","","","0.1302","0.1757","","","","","","1.078","","","","has coordinates","143414","2020-10-21","18:00:00",""
"7220320","16.5081","0.0007","23.4259","0.0008","10.2617","0.0003","90","","92.433","0.003","90","","3964.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H26 N4 O6 W -","- C16 H26 N4 O6 W -","- C128 H208 N32 O48 W8 -","8","2","","Pan, Ganghuo; Lu, Xiaoming; Li, Kai; Shen, Minghai; Zhao, Jing","Effect of ethylenediamine on the formation of macro, micro, and nanostructures based on [WVI(Cat)2O2]2−","CrystEngComm","2015","17","24","4592","","10.1039/C5CE00220F","","","1.54178","CuKα","","0.1131","0.084","","","0.1897","0.2009","","","","","","1.178","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220321","7.1077","0.0006","30.734","0.003","9.8061","0.0008","90","","102.769","0.002","90","","2089.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H30 N5 O6 W -","- C17 H30 N5 O6 W -","- C68 H120 N20 O24 W4 -","4","1","","Pan, Ganghuo; Lu, Xiaoming; Li, Kai; Shen, Minghai; Zhao, Jing","Effect of ethylenediamine on the formation of macro, micro, and nanostructures based on [WVI(Cat)2O2]2−","CrystEngComm","2015","17","24","4592","","10.1039/C5CE00220F","","","0.71073","MoKα","","0.082","0.0577","","","0.1067","0.1171","","","","","","1.087","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220322","23.7742","0.0003","23.7742","0.0003","13.7571","0.0002","90","","90","","120","","6733.94","0.16","103","2","103","2","","","","","","","","7","P -3","-P 3","147","(TT-TTF)3(PMo12O40)","(TT-TTF)3(PMo12O40)","","- C67 H36 Cl2 Mo12 O40 P S36 -","- C67 H36 Cl2.01 Mo12 O40 P S36 -","- C134 H72 Cl4.02 Mo24 O80 P2 S72 -","2","0.333333","","Zhang, Shangxi; Lu, Xiaofeng; Sun, Jibin; Zhao, Yali; Shao, Xiangfeng","Honeycomb supramolecular frameworks of organic‒inorganic hybrid cluster composed of cation radical and Keggin-type polyoxometalate","CrystEngComm","2015","17","22","4110","","10.1039/C5CE00510H","","","0.71073","MoKα","","0.0352","0.0264","","","0.0527","0.0569","","","","","","1.079","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220323","10.9252","0.0009","9.3337","0.0006","14.2595","0.0003","90","","98.0093","0.001","90","","1439.89","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Zn(Im)(HIm)2(OAc)","","- C11 H14 N6 O2 Zn -","- C11 H14 N6 O2 Zn -","- C44 H56 N24 O8 Zn4 -","4","1","","Shi, Qi; Wang, Fei; Kang, Xiaozhen; Xu, Jun; Huang, Yining; Li, Jinping; Dong, Jinxiang","A single precursor approach for ZIF synthesis: transformation of a new 1D [Zn(Im)(HIm)2(OAc)] structure to 3D Zn(Im)2frameworks","CrystEngComm","2015","17","21","3998","","10.1039/C5CE00211G","","","0.71073","MoKα","","0.1112","0.0656","","","0.1627","0.1726","","","","","","1.066","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220324","9.3789","0.0003","10.9247","0.0004","18.8993","0.0006","104.858","0.003","94.314","0.002","107.714","0.003","1758.1","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H10 O14 Zn2.5 -","- C24 H10 O14 Zn2.5 -","- C48 H20 O28 Zn5 -","2","1","","Wan, Xiu-Yan; Jiang, Fei-Long; Chen, Lian; Pan, Jie; Zhou, Kang; Su, Kong-Zhao; Pang, Jian-Dong; Lyu, Guang-Xun; Hong, Mao-Chun","Structural variability, unusual thermochromic luminescence and nitrobenzene sensing properties of five Zn(ii) coordination polymers assembled from a terphenyl-hexacarboxylate ligand","CrystEngComm","2015","17","20","3829","","10.1039/C5CE00420A","","","1.54178","CuKα","","0.0508","0.0465","","","0.1505","0.1558","","","","","","1.054","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220325","11.0076","0.0004","21.4138","0.0008","13.7391","0.0006","90","","108.52","0.005","90","","3070.8","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H13 N0 O13 Zn -","- C24 H13 O13 Zn -","- C96 H52 O52 Zn4 -","4","1","","Wan, Xiu-Yan; Jiang, Fei-Long; Chen, Lian; Pan, Jie; Zhou, Kang; Su, Kong-Zhao; Pang, Jian-Dong; Lyu, Guang-Xun; Hong, Mao-Chun","Structural variability, unusual thermochromic luminescence and nitrobenzene sensing properties of five Zn(ii) coordination polymers assembled from a terphenyl-hexacarboxylate ligand","CrystEngComm","2015","17","20","3829","","10.1039/C5CE00420A","","","1.54184","CuKα","","0.0624","0.0457","","","0.0989","0.1056","","","","","","1.001","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220326","18.3439","0.0003","8.809","0.0001","23.4388","0.0004","90","","101.965","0.002","90","","3705.22","0.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H20 N2 O8.5 Zn -","- C17 H20 N2 O8.5 Zn -","- C136 H160 N16 O68 Zn8 -","8","1","","Wan, Xiu-Yan; Jiang, Fei-Long; Chen, Lian; Pan, Jie; Zhou, Kang; Su, Kong-Zhao; Pang, Jian-Dong; Lyu, Guang-Xun; Hong, Mao-Chun","Structural variability, unusual thermochromic luminescence and nitrobenzene sensing properties of five Zn(ii) coordination polymers assembled from a terphenyl-hexacarboxylate ligand","CrystEngComm","2015","17","20","3829","","10.1039/C5CE00420A","","","1.54184","CuKα","","0.0568","0.0548","","","0.1477","0.1492","","","","","","1.06","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220327","12.024","0.003","13.773","0.004","15.85","0.004","90","","99.093","0.005","90","","2591.9","1.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 N O10 Zn2 -","- C16 H11 N O10 Zn2 -","- C64 H44 N4 O40 Zn8 -","4","1","","Wan, Xiu-Yan; Jiang, Fei-Long; Chen, Lian; Pan, Jie; Zhou, Kang; Su, Kong-Zhao; Pang, Jian-Dong; Lyu, Guang-Xun; Hong, Mao-Chun","Structural variability, unusual thermochromic luminescence and nitrobenzene sensing properties of five Zn(ii) coordination polymers assembled from a terphenyl-hexacarboxylate ligand","CrystEngComm","2015","17","20","3829","","10.1039/C5CE00420A","","","0.71073","MoKα","","0.0523","0.0439","","","0.1314","0.1359","","","","","","1.039","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220328","17.0549","0.0003","15.3986","0.0003","23.0104","0.0005","90","","102.754","0.002","90","","5893.9","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H45 N2 O18 Zn4 -","- C38 H41 N4 O18 Zn4 -","- C152 H164 N16 O72 Zn16 -","4","1","","Wan, Xiu-Yan; Jiang, Fei-Long; Chen, Lian; Pan, Jie; Zhou, Kang; Su, Kong-Zhao; Pang, Jian-Dong; Lyu, Guang-Xun; Hong, Mao-Chun","Structural variability, unusual thermochromic luminescence and nitrobenzene sensing properties of five Zn(ii) coordination polymers assembled from a terphenyl-hexacarboxylate ligand","CrystEngComm","2015","17","20","3829","","10.1039/C5CE00420A","","","1.54184","CuKα","","0.0933","0.0824","","","0.25","0.2626","","","","","","1.082","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220329","12.6554","0.0036","16.0575","0.0033","5.2045","0.0012","90","","90","","90","","1057.6","0.4","308","2","308","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L tyrosine ethyl ester","L tyrosine ethyl ester","","- C11 H15 N O3 -","- C11 H15 N O3 -","- C44 H60 N4 O12 -","4","1","","Nicolaï, Béatrice; Itié, Jean-Paul; Barrio, Maria; Tamarit, Josep-Lluìs; Rietveld, Ivo B.","Thermodynamics by synchrotron X-ray diffraction: phase relationships and crystal structure ofl-tyrosine ethyl ester form III","CrystEngComm","2015","17","21","3974","","10.1039/C5CE00284B","","","0.4499","synchrotron","","2.629","","","","","0.284","","","","","","1.636","","","","has coordinates","193997","2020-10-21","18:00:00",""
"7220330","6.9599","0.0005","25.9822","0.0013","8.01","0.0005","90","","105.224","0.007","90","","1397.64","0.16","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","theophylline-salicylic acid cocrystal","","- C14 H14 N4 O5 -","- C14 H14 N4 O5 -","- C56 H56 N16 O20 -","4","1","","Zhang, Shuo; Chen, Hong; Rasmuson, Åke. C.","Thermodynamics and crystallization of a theophylline‒salicylic acid cocrystal","CrystEngComm","2015","17","22","4125","","10.1039/C5CE00240K","","","1.54178","CuKα","","0.0886","0.0718","","","0.1994","0.2085","","","","","","1.066","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220331","26.648","0.003","14.3871","0.0011","15.1191","0.001","90","","90","","90","","5796.5","0.9","173","2","173","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C36 H21 Cl2 Cu N3 O6 -","- C36 H21 Cl2 Cu N3 O6 -","- C288 H168 Cl16 Cu8 N24 O48 -","8","","","Kim, Byung Joo; Lee, Haeri; Noh, Tae Hwan; Jung, Ok-Sang","Interfacial effects of crystal surface through free quinolinyl groups on crystal organization and catalysis","CrystEngComm","2015","17","23","4281","","10.1039/C5CE00527B","","","0.71073","MoKα","","0.2665","0.2272","","","0.5573","0.5743","","","","","","2.242","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220332","26.8621","0.0018","14.5732","0.0008","15.1408","0.0007","90","","90","","90","","5927.1","0.6","173","2","173","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C36 H21 Br2 Cu N3 O6 -","- C36 H21 Br2 Cu N3 O6 -","- C288 H168 Br16 Cu8 N24 O48 -","8","","","Kim, Byung Joo; Lee, Haeri; Noh, Tae Hwan; Jung, Ok-Sang","Interfacial effects of crystal surface through free quinolinyl groups on crystal organization and catalysis","CrystEngComm","2015","17","23","4281","","10.1039/C5CE00527B","","","0.71073","MoKα","","0.2463","0.2047","","","0.5611","0.577","","","","","","2.353","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220333","26.7895","0.0007","14.5479","0.0004","15.1124","0.0005","90","","90","","90","","5889.8","0.3","173","2","173","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C36 H23 Cl2 Hg N3 O7 -","- C36 H23 Cl2 Hg N3 O7 -","- C288 H184 Cl16 Hg8 N24 O56 -","8","","","Kim, Byung Joo; Lee, Haeri; Noh, Tae Hwan; Jung, Ok-Sang","Interfacial effects of crystal surface through free quinolinyl groups on crystal organization and catalysis","CrystEngComm","2015","17","23","4281","","10.1039/C5CE00527B","","","0.71073","MoKα","","0.1824","0.1633","","","0.5056","0.52","","","","","","2.395","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220334","26.8929","0.0009","14.6597","0.0004","15.0879","0.0004","90","","90","","90","","5948.3","0.3","173","2","173","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C36 H21 Br2 Hg N3 O6 -","- C36 H21 Br2 Hg N3 O6 -","- C288 H168 Br16 Hg8 N24 O48 -","8","","","Kim, Byung Joo; Lee, Haeri; Noh, Tae Hwan; Jung, Ok-Sang","Interfacial effects of crystal surface through free quinolinyl groups on crystal organization and catalysis","CrystEngComm","2015","17","23","4281","","10.1039/C5CE00527B","","","0.71073","MoKα","","0.1675","0.1384","","","0.4497","0.4686","","","","","","1.986","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220335","7.0081","0.0014","11.651","0.004","12.321","0.003","88.883","0.014","78.274","0.015","87.09","0.02","983.7","0.5","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H21 Fe N5 O2 S2 -","- C17 H21 Fe N5 O2 S2 -","- C34 H42 Fe2 N10 O4 S4 -","2","1","","Wang, Hongfeng; Grosjean, Arnaud; Sinito, Chiara; Kaiba, Abdellah; Baldé, Chérif; Desplanches, Cédric; Létard, Jean-François; Guionneau, Philippe","Towards synergy between spin-crossover and metal‒ligand bond break in molecular crystals: structural investigations of eight seven-coordinated Fe(ii) macrocyclic complexes","CrystEngComm","2015","17","22","4075","","10.1039/C5CE00557D","","","0.71073","MoKα","","0.0751","0.0729","","","0.1709","0.1776","","","","","","1.095","","","","has coordinates","138517","2020-10-21","18:00:00",""
"7220336","7.054","0.0002","11.7587","0.0006","12.42","0.0006","90","","102.097","0.003","90","","1007.31","0.08","298","2","298","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C17 H21 Fe N5 O2 S2 -","- C17 H21 Fe N5 O2 S2 -","- C34 H42 Fe2 N10 O4 S4 -","2","0.5","","Wang, Hongfeng; Grosjean, Arnaud; Sinito, Chiara; Kaiba, Abdellah; Baldé, Chérif; Desplanches, Cédric; Létard, Jean-François; Guionneau, Philippe","Towards synergy between spin-crossover and metal‒ligand bond break in molecular crystals: structural investigations of eight seven-coordinated Fe(ii) macrocyclic complexes","CrystEngComm","2015","17","22","4075","","10.1039/C5CE00557D","","","0.71069","MoKα","","0.0419","0.0388","","","0.1068","0.1101","","","","","","1.075","","","","has coordinates","138517","2020-10-21","18:00:00",""
"7220337","7.065","0.005","11.601","0.005","12.596","0.005","87.073","0.005","78.284","0.005","83.751","0.005","1004.4","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H21 Fe N5 O2 Se2 -","- C17 H21 Fe N5 O2 Se2 -","- C34 H42 Fe2 N10 O4 Se4 -","2","1","","Wang, Hongfeng; Grosjean, Arnaud; Sinito, Chiara; Kaiba, Abdellah; Baldé, Chérif; Desplanches, Cédric; Létard, Jean-François; Guionneau, Philippe","Towards synergy between spin-crossover and metal‒ligand bond break in molecular crystals: structural investigations of eight seven-coordinated Fe(ii) macrocyclic complexes","CrystEngComm","2015","17","22","4075","","10.1039/C5CE00557D","","","0.71073","MoKα","","0.0444","0.0385","","","0.1015","0.1043","","","","","","1.156","","","","has coordinates","138517","2020-10-21","18:00:00",""
"7220338","7.1138","0.0005","11.8204","0.0008","12.7513","0.0008","88.872","0.005","77.488","0.005","87.918","0.005","1046","0.12","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H21 Fe N5 O2 Se2 -","- C17 H21 Fe N5 O2 Se2 -","- C34 H42 Fe2 N10 O4 Se4 -","2","1","","Wang, Hongfeng; Grosjean, Arnaud; Sinito, Chiara; Kaiba, Abdellah; Baldé, Chérif; Desplanches, Cédric; Létard, Jean-François; Guionneau, Philippe","Towards synergy between spin-crossover and metal‒ligand bond break in molecular crystals: structural investigations of eight seven-coordinated Fe(ii) macrocyclic complexes","CrystEngComm","2015","17","22","4075","","10.1039/C5CE00557D","","","0.71073","MoKα","","0.1801","0.1403","","","0.3974","0.4351","","","","","","1.584","","","","has coordinates","138517","2020-10-21","18:00:00",""
"7220339","10.0292","0.0001","12.6468","0.0001","16.6405","0.0002","76.624","0.001","79.849","0.001","88.912","0.001","2020.72","0.04","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H23 Fe N7 S2 -","- C17 H23 Fe N7 S2 -","- C68 H92 Fe4 N28 S8 -","4","2","","Wang, Hongfeng; Grosjean, Arnaud; Sinito, Chiara; Kaiba, Abdellah; Baldé, Chérif; Desplanches, Cédric; Létard, Jean-François; Guionneau, Philippe","Towards synergy between spin-crossover and metal‒ligand bond break in molecular crystals: structural investigations of eight seven-coordinated Fe(ii) macrocyclic complexes","CrystEngComm","2015","17","22","4075","","10.1039/C5CE00557D","","","0.71073","MoKα","","0.0444","0.0326","","","0.0794","0.085","","","","","","1.017","","","","has coordinates","138517","2020-10-21","18:00:00",""
"7220340","10.078","0.0002","12.7955","0.0004","16.6985","0.0005","76.079","0.001","80.178","0.002","89.127","0.002","2058.69","0.1","250","2","250","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H23 Fe N7 S2 -","- C17 H23 Fe N7 S2 -","- C68 H92 Fe4 N28 S8 -","4","2","","Wang, Hongfeng; Grosjean, Arnaud; Sinito, Chiara; Kaiba, Abdellah; Baldé, Chérif; Desplanches, Cédric; Létard, Jean-François; Guionneau, Philippe","Towards synergy between spin-crossover and metal‒ligand bond break in molecular crystals: structural investigations of eight seven-coordinated Fe(ii) macrocyclic complexes","CrystEngComm","2015","17","22","4075","","10.1039/C5CE00557D","","","0.71073","MoKα","","0.0927","0.0439","","","0.0888","0.1041","","","","","","1.006","","","","has coordinates","138517","2020-10-21","18:00:00",""
"7220341","7.2421","0.0002","11.5317","0.0004","12.6415","0.0003","84.884","0.002","77.206","0.002","83.702","0.002","1021.02","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H23 Fe N7 Se2 -","- C17 H23 Fe N7 Se2 -","- C34 H46 Fe2 N14 Se4 -","2","1","","Wang, Hongfeng; Grosjean, Arnaud; Sinito, Chiara; Kaiba, Abdellah; Baldé, Chérif; Desplanches, Cédric; Létard, Jean-François; Guionneau, Philippe","Towards synergy between spin-crossover and metal‒ligand bond break in molecular crystals: structural investigations of eight seven-coordinated Fe(ii) macrocyclic complexes","CrystEngComm","2015","17","22","4075","","10.1039/C5CE00557D","","","0.71069","MoKα","","0.0419","0.039","","","0.1083","0.1113","","","","","","1.035","","","","has coordinates","138517","2020-10-21","18:00:00",""
"7220342","7.275","0.002","11.692","0.004","12.76","0.004","85.868","0.002","76.764","0.002","85.302","0.002","1051.4","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H23 Fe N7 Se2 -","- C17 H23 Fe N7 Se2 -","- C34 H46 Fe2 N14 Se4 -","2","1","","Wang, Hongfeng; Grosjean, Arnaud; Sinito, Chiara; Kaiba, Abdellah; Baldé, Chérif; Desplanches, Cédric; Létard, Jean-François; Guionneau, Philippe","Towards synergy between spin-crossover and metal‒ligand bond break in molecular crystals: structural investigations of eight seven-coordinated Fe(ii) macrocyclic complexes","CrystEngComm","2015","17","22","4075","","10.1039/C5CE00557D","","","0.71073","MoKα","","0.043","0.0349","","","0.0885","0.0938","","","","","","1.035","","","","has coordinates","138517","2020-10-21","18:00:00",""
"7220343","7.6106","0.0001","11.3658","0.0002","23.8383","0.0005","90","","93.826","0.001","90","","2057.43","0.06","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H25 Fe N7 S2 -","- C18 H25 Fe N7 S2 -","- C72 H100 Fe4 N28 S8 -","4","1","","Wang, Hongfeng; Grosjean, Arnaud; Sinito, Chiara; Kaiba, Abdellah; Baldé, Chérif; Desplanches, Cédric; Létard, Jean-François; Guionneau, Philippe","Towards synergy between spin-crossover and metal‒ligand bond break in molecular crystals: structural investigations of eight seven-coordinated Fe(ii) macrocyclic complexes","CrystEngComm","2015","17","22","4075","","10.1039/C5CE00557D","","","0.71073","MoKα","","0.0558","0.0421","","","0.0835","0.0876","","","","","","1.158","","","","has coordinates,has disorder","138517","2020-10-21","18:00:00",""
"7220344","7.6865","0.0002","11.5038","0.0004","24.0051","0.0007","90","","85.856","0.002","90","","2117.08","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H25 Fe N7 S2 -","- C18 H25 Fe N7 S2 -","- C72 H100 Fe4 N28 S8 -","4","1","","Wang, Hongfeng; Grosjean, Arnaud; Sinito, Chiara; Kaiba, Abdellah; Baldé, Chérif; Desplanches, Cédric; Létard, Jean-François; Guionneau, Philippe","Towards synergy between spin-crossover and metal‒ligand bond break in molecular crystals: structural investigations of eight seven-coordinated Fe(ii) macrocyclic complexes","CrystEngComm","2015","17","22","4075","","10.1039/C5CE00557D","","","0.71073","MoKα","","0.0764","0.0585","","","0.1557","0.1666","","","","","","1.076","","","","has coordinates","138517","2020-10-21","18:00:00",""
"7220345","7.668","0.0002","11.4447","0.0002","24.1613","0.0005","90","","93.46","0.001","90","","2116.48","0.08","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H25 Fe N7 Se2 -","- C18 H25 Fe N7 Se2 -","- C72 H100 Fe4 N28 Se8 -","4","1","","Wang, Hongfeng; Grosjean, Arnaud; Sinito, Chiara; Kaiba, Abdellah; Baldé, Chérif; Desplanches, Cédric; Létard, Jean-François; Guionneau, Philippe","Towards synergy between spin-crossover and metal‒ligand bond break in molecular crystals: structural investigations of eight seven-coordinated Fe(ii) macrocyclic complexes","CrystEngComm","2015","17","22","4075","","10.1039/C5CE00557D","","","0.71073","MoKα","","0.0524","0.0359","","","0.0801","0.0862","","","","","","1.043","","","","has coordinates,has disorder","138517","2020-10-21","18:00:00",""
"7220346","7.7266","0.0003","11.5898","0.0005","24.3459","0.0009","90","","93.458","0.002","90","","2176.2","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H25 Fe N7 Se2 -","- C18 H25 Fe N7 Se2 -","- C72 H100 Fe4 N28 Se8 -","4","1","","Wang, Hongfeng; Grosjean, Arnaud; Sinito, Chiara; Kaiba, Abdellah; Baldé, Chérif; Desplanches, Cédric; Létard, Jean-François; Guionneau, Philippe","Towards synergy between spin-crossover and metal‒ligand bond break in molecular crystals: structural investigations of eight seven-coordinated Fe(ii) macrocyclic complexes","CrystEngComm","2015","17","22","4075","","10.1039/C5CE00557D","","","0.71073","MoKα","","0.1165","0.046","","","0.0955","0.1191","","","","","","0.959","","","","has coordinates,has disorder","138517","2020-10-21","18:00:00",""
"7220347","7.6664","0.0001","11.6061","0.0002","23.8228","0.0004","90","","96.237","0.001","90","","2107.14","0.06","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H52 Fe2 N14 O S4 -","- C36 H52 Fe2 N14 O S4 -","- C72 H104 Fe4 N28 O2 S8 -","2","0.5","","Wang, Hongfeng; Grosjean, Arnaud; Sinito, Chiara; Kaiba, Abdellah; Baldé, Chérif; Desplanches, Cédric; Létard, Jean-François; Guionneau, Philippe","Towards synergy between spin-crossover and metal‒ligand bond break in molecular crystals: structural investigations of eight seven-coordinated Fe(ii) macrocyclic complexes","CrystEngComm","2015","17","22","4075","","10.1039/C5CE00557D","","","0.71073","MoKα","","0.0489","0.0355","","","0.0902","0.0971","","","","","","1.06","","","","has coordinates,has disorder","138517","2020-10-21","18:00:00",""
"7220348","7.753","0.0003","11.7757","0.0005","24.0225","0.001","90","","96.556","0.002","90","","2178.84","0.15","300","2","300","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H52 Fe2 N14 O S4 -","- C36 H52 Fe2 N14 O S4 -","- C72 H104 Fe4 N28 O2 S8 -","2","0.5","","Wang, Hongfeng; Grosjean, Arnaud; Sinito, Chiara; Kaiba, Abdellah; Baldé, Chérif; Desplanches, Cédric; Létard, Jean-François; Guionneau, Philippe","Towards synergy between spin-crossover and metal‒ligand bond break in molecular crystals: structural investigations of eight seven-coordinated Fe(ii) macrocyclic complexes","CrystEngComm","2015","17","22","4075","","10.1039/C5CE00557D","","","0.71073","MoKα","","0.0549","0.0482","","","0.1334","0.1401","","","","","","1.066","","","","has coordinates","138517","2020-10-21","18:00:00",""
"7220349","15.4575","0.0002","11.6172","0.0002","24.5781","0.0002","90","","102.438","0.001","90","","4309.97","0.1","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C72 H102 Fe4 N28 O Se8 -","- C72 H102 Fe4 N28 O Se8 -","- C144 H204 Fe8 N56 O2 Se16 -","2","0.5","","Wang, Hongfeng; Grosjean, Arnaud; Sinito, Chiara; Kaiba, Abdellah; Baldé, Chérif; Desplanches, Cédric; Létard, Jean-François; Guionneau, Philippe","Towards synergy between spin-crossover and metal‒ligand bond break in molecular crystals: structural investigations of eight seven-coordinated Fe(ii) macrocyclic complexes","CrystEngComm","2015","17","22","4075","","10.1039/C5CE00557D","","","0.71073","MoKα","","0.0729","0.0442","","","0.1053","0.1175","","","","","","1.007","","","","has coordinates,has disorder","138517","2020-10-21","18:00:00",""
"7220350","15.5939","0.0003","11.7657","0.0002","24.7536","0.0005","90","","102.373","0.001","90","","4436.13","0.15","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C72 H102 Fe4 N28 O Se8 -","- C72 H103 Fe4 N28 O Se8 -","- C144 H206 Fe8 N56 O2 Se16 -","2","0.5","","Wang, Hongfeng; Grosjean, Arnaud; Sinito, Chiara; Kaiba, Abdellah; Baldé, Chérif; Desplanches, Cédric; Létard, Jean-François; Guionneau, Philippe","Towards synergy between spin-crossover and metal‒ligand bond break in molecular crystals: structural investigations of eight seven-coordinated Fe(ii) macrocyclic complexes","CrystEngComm","2015","17","22","4075","","10.1039/C5CE00557D","","","0.71073","MoKα","","0.0943","0.0477","","","0.1176","0.1367","","","","","","1.027","","","","has coordinates,has disorder","138517","2020-10-21","18:00:00",""
"7220351","12.8229","0.0004","14.7384","0.0005","25.0376","0.0008","90","","91.34","0.0001","90","","4730.5","0.3","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H40 Cu3 Mo24 N32 O84 P2 -","- C16 H36 Cu3 Mo24 N32 O84 P2 -","- C32 H72 Cu6 Mo48 N64 O168 P4 -","2","0.5","","Wang, Xiu-Li; Gong, Chun-Hua; Zhang, Ju-Wen; Liu, Guo-Cheng; Kan, Xiao-Min; Xu, Na","Polyoxometalate-directed assembly of various multinuclear metal‒organic complexes with 4-amino-1,2,4-triazole and selective photocatalysis for organic dye degradation","CrystEngComm","2015","17","22","4179","","10.1039/C5CE00411J","","","0.71073","MoKα","","0.0319","0.0289","","","0.1147","0.119","","","","","","1.044","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220352","18.331","0.012","13.2839","0.0009","26.055","0.002","90","","109.215","0.001","90","","5991","4","296","2","296","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C12 H38 Cu2 N24 O47 Si W12 -","- C12 H38 Cu2 N24 O47 Si W12 -","- C48 H152 Cu8 N96 O188 Si4 W48 -","4","0.5","","Wang, Xiu-Li; Gong, Chun-Hua; Zhang, Ju-Wen; Liu, Guo-Cheng; Kan, Xiao-Min; Xu, Na","Polyoxometalate-directed assembly of various multinuclear metal‒organic complexes with 4-amino-1,2,4-triazole and selective photocatalysis for organic dye degradation","CrystEngComm","2015","17","22","4179","","10.1039/C5CE00411J","","","0.71073","MoKα","","0.1271","0.1225","","","0.2812","0.2838","","","","","","1.063","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220353","13.4466","0.0011","13.4785","0.0011","13.8805","0.0012","64.45","0.0001","61.819","0.0001","78.75","0.002","2000.5","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C8 H29 Cr Cu2 Mo6 N16 O28 -","- C8 H22 Cr Cu2 Mo6 N16 O28 -","- C16 H44 Cr2 Cu4 Mo12 N32 O56 -","2","1","","Wang, Xiu-Li; Gong, Chun-Hua; Zhang, Ju-Wen; Liu, Guo-Cheng; Kan, Xiao-Min; Xu, Na","Polyoxometalate-directed assembly of various multinuclear metal‒organic complexes with 4-amino-1,2,4-triazole and selective photocatalysis for organic dye degradation","CrystEngComm","2015","17","22","4179","","10.1039/C5CE00411J","","","0.71073","MoKα","","0.0929","0.0532","","","0.143","0.1641","","","","","","1.023","","","","has coordinates","138518","2020-10-21","18:00:00",""
"7220354","10.0148","0.0007","19.0431","0.0014","21.532","0.0015","90","","102.757","0.001","90","","4005.1","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H32 Cu3 Mo8 N12 O37 -","- C6 H24 Cu3 Mo8 N12 O37 -","- C24 H96 Cu12 Mo32 N48 O148 -","4","1","","Wang, Xiu-Li; Gong, Chun-Hua; Zhang, Ju-Wen; Liu, Guo-Cheng; Kan, Xiao-Min; Xu, Na","Polyoxometalate-directed assembly of various multinuclear metal‒organic complexes with 4-amino-1,2,4-triazole and selective photocatalysis for organic dye degradation","CrystEngComm","2015","17","22","4179","","10.1039/C5CE00411J","","","0.71073","MoKα","","0.0426","0.037","","","0.1024","0.1054","","","","","","1.045","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220355","8.7273","0.0009","12.8497","0.0009","12.8591","0.001","86.154","0.001","75.879","0.001","75.844","0.001","1356","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H17 Cu3 N12 O18 V5 -","- C6 H14 Cu3 N12 O18 V5 -","- C12 H28 Cu6 N24 O36 V10 -","2","1","","Wang, Xiu-Li; Gong, Chun-Hua; Zhang, Ju-Wen; Liu, Guo-Cheng; Kan, Xiao-Min; Xu, Na","Polyoxometalate-directed assembly of various multinuclear metal‒organic complexes with 4-amino-1,2,4-triazole and selective photocatalysis for organic dye degradation","CrystEngComm","2015","17","22","4179","","10.1039/C5CE00411J","","","0.71073","MoKα","","0.0488","0.0354","","","0.0901","0.1014","","","","","","1.062","","","","has coordinates","138518","2020-10-21","18:00:00",""
"7220356","14.7921","0.0002","15.0566","0.0002","21.4174","0.0003","90","","99.831","0.001","90","","4700.01","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C51 H37 Mg3 N2 O16 -","- C51 H37 Mg3 N2 O16 -","- C204 H148 Mg12 N8 O64 -","4","1","","Wu, Zhao-Feng; Tan, Bin; Du, Cheng-Feng; Feng, Mei-Ling; Xie, Zai-Lai; Huang, Xiao-Ying","An ionothermally synthesized Mg-based coordination polymer as a precursor for preparing porous carbons","CrystEngComm","2015","17","23","4288","","10.1039/C5CE00591D","","","0.71073","MoKα","","0.0988","0.086","","","0.2218","0.2274","","","","","","1.039","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220357","4.8536","0.0011","7.8906","0.0017","8.8251","0.0019","78.1348","0.0027","86.3966","0.0028","75.122","0.0028","319.65","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","1","","","- C12 H12 N2 O4 Pd -","- C12 H12 N2 O4 Pd -","- C12 H12 N2 O4 Pd -","1","0.5","","Guo, Qianqian; Merkens, Carina; Si, Runze; Englert, Ulli","Crosslinking of the Pd(acacCN)2building unit with Ag(i) salts: dynamic 1D polymers and an extended 3D network","CrystEngComm","2015","17","23","4383","","10.1039/C5CE00043B","","","0.71073","MoKα","","0.0282","0.0279","","","0.0668","0.067","","","","","","1.091","","","","has coordinates","138551","2020-10-21","18:00:00",""
"7220358","11.6947","0.0009","17.3278","0.0014","9.1324","0.0007","90","","98.167","0.001","90","","1831.9","0.2","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 Ag B F4 N2 O5 Pd -","- C13 H16 Ag B F4 N2 O5 Pd -","- C52 H64 Ag4 B4 F16 N8 O20 Pd4 -","4","1","","Guo, Qianqian; Merkens, Carina; Si, Runze; Englert, Ulli","Crosslinking of the Pd(acacCN)2building unit with Ag(i) salts: dynamic 1D polymers and an extended 3D network","CrystEngComm","2015","17","23","4383","","10.1039/C5CE00043B","","","0.71073","MoKα","","0.0476","0.0418","","","0.1204","0.1242","","","","","","1.132","","","","has coordinates","138551","2020-10-21","18:00:00",""
"7220359","11.7013","0.0018","17.518","0.003","9.1703","0.0014","90","","98.006","0.002","90","","1861.4","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 Ag Cl N2 O9 Pd -","- C13 H16 Ag Cl N2 O9 Pd -","- C52 H64 Ag4 Cl4 N8 O36 Pd4 -","4","1","","Guo, Qianqian; Merkens, Carina; Si, Runze; Englert, Ulli","Crosslinking of the Pd(acacCN)2building unit with Ag(i) salts: dynamic 1D polymers and an extended 3D network","CrystEngComm","2015","17","23","4383","","10.1039/C5CE00043B","","","0.71073","MoKα","","0.031","0.025","","","0.0608","0.0657","","","","","","1.033","","","","has coordinates,has disorder","138551","2020-10-21","18:00:00",""
"7220360","9.358","0.004","10.882","0.005","10.968","0.004","116.299","0.006","96.468","0.006","91.599","0.006","991.1","0.7","100","2","100","2","","","","","","","","8","P -1","-P 1","2","2c","","","- C13 H16 Ag F6 N2 O5 P Pd -","- C13 H16 Ag F6 N2 O5 P Pd -","- C26 H32 Ag2 F12 N4 O10 P2 Pd2 -","2","1","","Guo, Qianqian; Merkens, Carina; Si, Runze; Englert, Ulli","Crosslinking of the Pd(acacCN)2building unit with Ag(i) salts: dynamic 1D polymers and an extended 3D network","CrystEngComm","2015","17","23","4383","","10.1039/C5CE00043B","","","0.71073","MoKα","","0.0654","0.0592","","","0.1688","0.1765","","","","","","1.091","","","","has coordinates,has disorder","138551","2020-10-21","18:00:00",""
"7220361","9.9183","0.0013","10.7825","0.0014","11.6604","0.0015","65.896","0.002","71.7491","0.0019","88.957","0.002","1072.3","0.2","100","2","100","2","","","","","","","","9","P -1","-P 1","2","6","","","- C14 H14 Ag Cl2 F3 N2 O7 Pd S -","- C14 H14 Ag Cl2 F3 N2 O7 Pd S -","- C28 H28 Ag2 Cl4 F6 N4 O14 Pd2 S2 -","2","1","","Guo, Qianqian; Merkens, Carina; Si, Runze; Englert, Ulli","Crosslinking of the Pd(acacCN)2building unit with Ag(i) salts: dynamic 1D polymers and an extended 3D network","CrystEngComm","2015","17","23","4383","","10.1039/C5CE00043B","","","0.71073","MoKα","","0.0648","0.0374","","","0.072","0.0838","","","","","","0.992","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7220362","4.6283","0.0008","25.815","0.004","7.8121","0.0013","90","","105.265","0.002","90","","900.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","7","","","- C12 H12 Ag2 N4 O10 Pd -","- C12 H12 Ag2 N4 O10 Pd -","- C24 H24 Ag4 N8 O20 Pd2 -","2","0.5","","Guo, Qianqian; Merkens, Carina; Si, Runze; Englert, Ulli","Crosslinking of the Pd(acacCN)2building unit with Ag(i) salts: dynamic 1D polymers and an extended 3D network","CrystEngComm","2015","17","23","4383","","10.1039/C5CE00043B","","","0.71073","MoKα","","0.0197","0.018","","","0.0432","0.044","","","","","","1.071","","","","has coordinates","138551","2020-10-21","18:00:00",""
"7220363","11.964","0.0016","17.688","0.002","9.108","0.0011","90","","96.437","0.003","90","","1915.3","0.4","320","2","320","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C13 H16 Ag B F4 N2 O5 Pd -","- C13 H16 Ag B F4 N2 O5 Pd -","- C52 H64 Ag4 B4 F16 N8 O20 Pd4 -","4","0.5","","Guo, Qianqian; Merkens, Carina; Si, Runze; Englert, Ulli","Crosslinking of the Pd(acacCN)2building unit with Ag(i) salts: dynamic 1D polymers and an extended 3D network","CrystEngComm","2015","17","23","4383","","10.1039/C5CE00043B","","","0.71073","MoKα","","0.0368","0.0322","","","0.1187","0.1291","","","","","","1","","","","has coordinates,has disorder","138551","2020-10-21","18:00:00",""
"7220364","11.915","0.0017","17.722","0.003","9.1692","0.0013","90","","96.44","0.002","90","","1923.9","0.5","320","2","320","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C13 H16 Ag Cl N2 O9 Pd -","- C13 H16 Ag Cl N2 O9 Pd -","- C52 H64 Ag4 Cl4 N8 O36 Pd4 -","4","0.5","","Guo, Qianqian; Merkens, Carina; Si, Runze; Englert, Ulli","Crosslinking of the Pd(acacCN)2building unit with Ag(i) salts: dynamic 1D polymers and an extended 3D network","CrystEngComm","2015","17","23","4383","","10.1039/C5CE00043B","","","0.71073","MoKα","","0.0387","0.0359","","","0.1123","0.1194","","","","","","0.986","","","","has coordinates,has disorder","138551","2020-10-21","18:00:00",""
"7220365","11.684","0.0011","17.2956","0.0016","9.1223","0.0009","90","","98.158","0.002","90","","1824.8","0.3","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 Ag B0.5 Cl0.5 F2 N2 O7 Pd -","- C13 H16 Ag B0.5 Cl0.5 F2 N2 O7 Pd -","- C52 H64 Ag4 B2 Cl2 F8 N8 O28 Pd4 -","4","1","","Guo, Qianqian; Merkens, Carina; Si, Runze; Englert, Ulli","Crosslinking of the Pd(acacCN)2building unit with Ag(i) salts: dynamic 1D polymers and an extended 3D network","CrystEngComm","2015","17","23","4383","","10.1039/C5CE00043B","","","0.71073","MoKα","","0.0519","0.0412","","","0.0992","0.1063","","","","","","1.06","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220366","25.245","0.003","9.6639","0.001","20.026","0.002","90","","128.93","0.001","90","","3800.6","0.7","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H28 N8 Nd2 O32 S Zn4 -","- C20 H4 N8 Nd2 O32 S Zn4 -","- C80 H16 N32 Nd8 O128 S4 Zn16 -","4","0.5","","Ding, Yu-Jia; Li, Teng; Hong, Xu-Jia; Zhu, Li-Cai; Cai, Yue-Peng; Zhu, Si-Ming; Yu, Shu-Juan","Construction of four 3d‒4f heterometallic pillar-layered frameworks containing left- and right-handed helical chains and a I−chemosensor","CrystEngComm","2015","17","21","3945","","10.1039/C5CE00324E","","","0.71073","MoKα","","0.0326","0.0287","","","0.0768","0.0791","","","","","","1.072","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220367","25.1944","0.0017","9.6262","0.0006","19.9847","0.0012","90","","128.905","0.001","90","","3771.7","0.4","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H28 N8 O32 S Sm2 Zn4 -","- C20 H4 N8 O32 S Sm2 Zn4 -","- C80 H16 N32 O128 S4 Sm8 Zn16 -","4","0.5","","Ding, Yu-Jia; Li, Teng; Hong, Xu-Jia; Zhu, Li-Cai; Cai, Yue-Peng; Zhu, Si-Ming; Yu, Shu-Juan","Construction of four 3d‒4f heterometallic pillar-layered frameworks containing left- and right-handed helical chains and a I−chemosensor","CrystEngComm","2015","17","21","3945","","10.1039/C5CE00324E","","","0.71073","MoKα","","0.03","0.0265","","","0.0677","0.0693","","","","","","1.076","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220368","25.1496","0.0013","9.6309","0.0005","20.0039","0.0011","90","","128.937","0.001","90","","3768.8","0.3","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H28 Eu2 N8 O32 S Zn4 -","- C20 H4 Eu2 N8 O32 S Zn4 -","- C80 H16 Eu8 N32 O128 S4 Zn16 -","4","0.5","","Ding, Yu-Jia; Li, Teng; Hong, Xu-Jia; Zhu, Li-Cai; Cai, Yue-Peng; Zhu, Si-Ming; Yu, Shu-Juan","Construction of four 3d‒4f heterometallic pillar-layered frameworks containing left- and right-handed helical chains and a I−chemosensor","CrystEngComm","2015","17","21","3945","","10.1039/C5CE00324E","","","0.71073","MoKα","","0.0249","0.0222","","","0.0585","0.0596","","","","","","1.099","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220369","25.1442","0.0019","9.6068","0.0007","19.9794","0.0014","90","","128.933","0.002","90","","3754.2","0.5","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H28 Gd2 N8 O32 S Zn4 -","- C20 H4 Gd2 N8 O32 S Zn4 -","- C80 H16 Gd8 N32 O128 S4 Zn16 -","4","0.5","","Ding, Yu-Jia; Li, Teng; Hong, Xu-Jia; Zhu, Li-Cai; Cai, Yue-Peng; Zhu, Si-Ming; Yu, Shu-Juan","Construction of four 3d‒4f heterometallic pillar-layered frameworks containing left- and right-handed helical chains and a I−chemosensor","CrystEngComm","2015","17","21","3945","","10.1039/C5CE00324E","","","0.71073","MoKα","","0.0263","0.0235","","","0.0619","0.0632","","","","","","1.09","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220370","11.7327","0.0015","17.388","0.002","31.903","0.004","90","","90","","90","","6508.5","1.4","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C37 H38 O3 -","- C37 H38 O3 -","- C296 H304 O24 -","8","2","","Batisai, Eustina; Nassimbeni, Luigi R.; Weber, Edwin","Inclusion compounds of a borneol dumb-bell host with methylcyclohexanones and 2-butanols: structures and resolutions","CrystEngComm","2015","17","22","4205","","10.1039/C5CE00600G","","","0.71073","MoKα","","0.1319","0.0839","","","0.2311","0.2667","","","","","","1.038","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220371","11.719","0.002","17.993","0.004","30.484","0.006","90","","90","","90","","6428","2","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C37 H50 O3 -","- C37 H50 O3 -","- C296 H400 O24 -","8","2","","Batisai, Eustina; Nassimbeni, Luigi R.; Weber, Edwin","Inclusion compounds of a borneol dumb-bell host with methylcyclohexanones and 2-butanols: structures and resolutions","CrystEngComm","2015","17","22","4205","","10.1039/C5CE00600G","","","0.71073","MoKα","","0.0676","0.0536","","","0.134","0.1432","","","","","","1.03","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220372","6.5774","0.0013","10.92","0.002","13.999","0.003","84.03","0.03","81.51","0.03","77.91","0.03","969.6","0.4","173","2","173","2","","","","","","","","3","P 1","P 1","1","","","","- C44 H62 O4 -","- C44 H62 O4 -","- C44 H62 O4 -","1","1","","Batisai, Eustina; Nassimbeni, Luigi R.; Weber, Edwin","Inclusion compounds of a borneol dumb-bell host with methylcyclohexanones and 2-butanols: structures and resolutions","CrystEngComm","2015","17","22","4205","","10.1039/C5CE00600G","","","0.71073","MoKα","","0.0419","0.0352","","","0.0823","0.0863","","","","","","1.022","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220373","11.8542","0.0004","12.0125","0.0004","61.234","0.002","90","","90","","90","","8719.6","0.5","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C98 H133 O8 -","- C98 H132.999 O8 -","- C392 H531.996 O32 -","4","1","","Batisai, Eustina; Nassimbeni, Luigi R.; Weber, Edwin","Inclusion compounds of a borneol dumb-bell host with methylcyclohexanones and 2-butanols: structures and resolutions","CrystEngComm","2015","17","22","4205","","10.1039/C5CE00600G","","","0.71073","MoKα","","0.1167","0.0637","","","0.1384","0.1617","","","","","","1.021","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220374","11.7623","0.0006","12.028","0.0006","61.71","0.003","90","","90","","90","","8730.5","0.8","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C98 H134 O8 -","- C98 H134 O8 -","- C392 H536 O32 -","4","1","","Batisai, Eustina; Nassimbeni, Luigi R.; Weber, Edwin","Inclusion compounds of a borneol dumb-bell host with methylcyclohexanones and 2-butanols: structures and resolutions","CrystEngComm","2015","17","22","4205","","10.1039/C5CE00600G","","","0.71073","MoKα","","0.1088","0.0676","","","0.1643","0.1888","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220375","11.956","0.002","12.023","0.002","60.792","0.012","90","","90","","90","","8739","3","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C98 H134 O8 -","- C98 H134 O8 -","- C392 H536 O32 -","4","1","","Batisai, Eustina; Nassimbeni, Luigi R.; Weber, Edwin","Inclusion compounds of a borneol dumb-bell host with methylcyclohexanones and 2-butanols: structures and resolutions","CrystEngComm","2015","17","22","4205","","10.1039/C5CE00600G","","","0.71073","MoKα","","0.1282","0.0769","","","0.1961","0.2276","","","","","","1.029","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220376","16.527","0.011","20.962","0.014","16.969","0.012","90","","106.983","0.01","90","","5622","7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42.75 H46.5 Cl3.5 Cu N16 O7.5 -","- C42.75 H46.5 Cl3.5 Cu N16 O7.5 -","- C171 H186 Cl14 Cu4 N64 O30 -","4","1","","Yang, Fan; Liu, Qi-Kui; Ma, Jian-Ping; Li, Yan-An; Wang, Ke-Xin; Dong, Yu-Bin","Reversible adsorption and separation of chlorocarbons and BTEX based on Cu(ii)-metal organic framework","CrystEngComm","2015","17","22","4102","","10.1039/C5CE00547G","","","0.71073","MoKα","","0.1348","0.0932","","","0.2646","0.302","","","","","","1.069","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7220377","14.5312","0.0002","14.5312","0.0002","18.095","0.0006","90","","90","","90","","3820.86","0.15","150.01","0.1","150.01","0.1","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C39 H32 Fe Mn2 N10 O5 -","- C39 H32 Fe Mn2 N10 O5 -","- C156 H128 Fe4 Mn8 N40 O20 -","4","0.25","","Kopotkov, Vyacheslav A.; Sasnovskaya, Valentina D.; Korchagin, Denis V.; Morgunov, Roman B.; Aldoshin, Sergey M.; Simonov, Sergey V.; Zorina, Leokadiya V.; Schaniel, Dominik; Woike, Theo; Yagubskii, Eduard B.","The first photochromic bimetallic assemblies based on Mn(iii) and Mn(ii) Schiff-base (salpn, dapsc) complexes and pentacyanonitrosylferrate","CrystEngComm","2015","17","20","3866","","10.1039/C5CE00354G","","","0.7107","MoKα","","0.0375","0.0307","","","0.0776","0.0824","","","","","","1.085","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220378","22.121","0.002","17.3201","0.0005","16.1353","0.0015","90","","135.236","0.018","90","","4353.3","1.5","150","2","150","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C84 H80 Mn5 N20 O17 -","- C84 H80 Mn5 N20 O17 -","- C168 H160 Mn10 N40 O34 -","2","0.25","","Kopotkov, Vyacheslav A.; Sasnovskaya, Valentina D.; Korchagin, Denis V.; Morgunov, Roman B.; Aldoshin, Sergey M.; Simonov, Sergey V.; Zorina, Leokadiya V.; Schaniel, Dominik; Woike, Theo; Yagubskii, Eduard B.","The first photochromic bimetallic assemblies based on Mn(iii) and Mn(ii) Schiff-base (salpn, dapsc) complexes and pentacyanonitrosylferrate","CrystEngComm","2015","17","20","3866","","10.1039/C5CE00354G","","","0.71073","MoKα","","0.0822","0.066","","","0.1791","0.1894","","","","","","1.022","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220379","26.8212","0.0019","17.721","0.002","10.233","0.0008","90","","90","","90","","4863.7","0.8","140","1","140","1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C16.5 H17.5 Fe Mn N13 O3.75 -","- C16.5 H17 Fe Mn N13 O3.75 -","- C132 H136 Fe8 Mn8 N104 O30 -","8","2","","Kopotkov, Vyacheslav A.; Sasnovskaya, Valentina D.; Korchagin, Denis V.; Morgunov, Roman B.; Aldoshin, Sergey M.; Simonov, Sergey V.; Zorina, Leokadiya V.; Schaniel, Dominik; Woike, Theo; Yagubskii, Eduard B.","The first photochromic bimetallic assemblies based on Mn(iii) and Mn(ii) Schiff-base (salpn, dapsc) complexes and pentacyanonitrosylferrate","CrystEngComm","2015","17","20","3866","","10.1039/C5CE00354G","","","0.71073","MoKα","","0.0533","0.0492","","","0.1114","0.1141","","","","","","1.036","","","","has coordinates,has disorder","138538","2020-10-21","18:00:00",""
"7220380","14.7874","0.0004","17.9105","0.0005","14.6394","0.0004","90","","90","","90","","3877.24","0.18","103","2","103","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C46 H39 Ag N2 P2 S2 -","- C46 H39 Ag N2 P2 S2 -","- C184 H156 Ag4 N8 P8 S8 -","4","0.5","","Kole, Goutam Kumar; Vivekananda, K. V.; Kumar, Mukesh; Ganguly, Rakesh; Dey, Sandip; Jain, Vimal K.","Hemilabile silver(i) complexes containing pyridyl chalcogenolate (S, Se) ligands and their utility as molecular precursors for silver chalcogenides","CrystEngComm","2015","17","23","4367","","10.1039/C5CE00626K","","","0.71073","MoKα","","0.0666","0.0401","","","0.0768","0.0915","","","","","","1.079","","","","has coordinates","138552","2020-10-21","18:00:00",""
"7220381","20.4449","0.0005","20.4449","0.0005","34.6253","0.0009","90","","90","","90","","14473.2","0.6","293","2","293","2","","","","","","","","6","I 41","I 4bw","80","","","","- C82 H68 Ag2 N2 P4 S2 -","- C82 H68 Ag2 N2 P4 S2 -","- C656 H544 Ag16 N16 P32 S16 -","8","1","","Kole, Goutam Kumar; Vivekananda, K. V.; Kumar, Mukesh; Ganguly, Rakesh; Dey, Sandip; Jain, Vimal K.","Hemilabile silver(i) complexes containing pyridyl chalcogenolate (S, Se) ligands and their utility as molecular precursors for silver chalcogenides","CrystEngComm","2015","17","23","4367","","10.1039/C5CE00626K","","","1.5418","CuKα","","0.1221","0.0888","","","0.2519","0.2832","","","","","","1.036","","","","has coordinates,has disorder","138552","2020-10-21","18:00:00",""
"7220382","9.9533","0.0006","14.2851","0.0006","15.24","0.001","93.498","0.004","90.926","0.005","103.226","0.004","2104.5","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H38 Ag2 N2 P2 S2 -","- C46 H38 Ag2 N2 P2 S2 -","- C92 H76 Ag4 N4 P4 S4 -","2","1","","Kole, Goutam Kumar; Vivekananda, K. V.; Kumar, Mukesh; Ganguly, Rakesh; Dey, Sandip; Jain, Vimal K.","Hemilabile silver(i) complexes containing pyridyl chalcogenolate (S, Se) ligands and their utility as molecular precursors for silver chalcogenides","CrystEngComm","2015","17","23","4367","","10.1039/C5CE00626K","","","1.5418","CuKα","","0.0991","0.0796","","","0.2154","0.2533","","","","","","1.01","","","","has coordinates","138552","2020-10-21","18:00:00",""
"7220383","14.6363","0.0006","16.8676","0.0005","19.0727","0.001","97.323","0.003","112.344","0.004","94.429","0.003","4278.9","0.3","293","","293","","","","","","","","","7","P -1","-P 1","2","","","","- C88 H79 Ag3 N3 O2 P4 Se3 -","- C88 H78 Ag3 N3 O2 P4 Se3 -","- C176 H156 Ag6 N6 O4 P8 Se6 -","2","1","","Kole, Goutam Kumar; Vivekananda, K. V.; Kumar, Mukesh; Ganguly, Rakesh; Dey, Sandip; Jain, Vimal K.","Hemilabile silver(i) complexes containing pyridyl chalcogenolate (S, Se) ligands and their utility as molecular precursors for silver chalcogenides","CrystEngComm","2015","17","23","4367","","10.1039/C5CE00626K","","","1.5418","CuKα","","0.0995","0.0691","","","0.1868","0.2144","","","","","","0.99","","","","has coordinates","138552","2020-10-21","18:00:00",""
"7220384","12.2175","0.001","13.7065","0.001","17.1985","0.0015","87.407","0.007","86.817","0.007","69.329","0.007","2689.5","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C61 H57 Ag N O2 P3 Se -","- C61 H57 Ag N O2 P3 Se -","- C122 H114 Ag2 N2 O4 P6 Se2 -","2","1","","Kole, Goutam Kumar; Vivekananda, K. V.; Kumar, Mukesh; Ganguly, Rakesh; Dey, Sandip; Jain, Vimal K.","Hemilabile silver(i) complexes containing pyridyl chalcogenolate (S, Se) ligands and their utility as molecular precursors for silver chalcogenides","CrystEngComm","2015","17","23","4367","","10.1039/C5CE00626K","","","1.5418","CuKα","","0.1307","0.0802","","","0.2005","0.239","","","","","","1.003","","","","has coordinates","138552","2020-10-21","18:00:00",""
"7220385","11.4611","0.0006","12.624","0.0007","19.6133","0.0013","85.935","0.005","74.285","0.005","71.483","0.005","2589.9","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H53 Ag N O P3 S -","- C60 H53 Ag N O P3 S -","- C120 H106 Ag2 N2 O2 P6 S2 -","2","1","","Kole, Goutam Kumar; Vivekananda, K. V.; Kumar, Mukesh; Ganguly, Rakesh; Dey, Sandip; Jain, Vimal K.","Hemilabile silver(i) complexes containing pyridyl chalcogenolate (S, Se) ligands and their utility as molecular precursors for silver chalcogenides","CrystEngComm","2015","17","23","4367","","10.1039/C5CE00626K","","","1.5418","CuKα","","0.1047","0.0844","","","0.2321","0.2586","","","","","","1.077","","","","has coordinates","138552","2020-10-21","18:00:00",""
"7220386","6.7352","0.0013","7.5089","0.0015","9.6823","0.0019","90","","90","","90","","489.67","0.17","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C H Cu N7 -","- C H Cu N7 -","- C4 H4 Cu4 N28 -","4","1","","Xie, Ya-Bo; Gan, Lei; Carolina Sañudo, E.; Zheng, Haiyang; Zhao, Jiongpeng; Zhao, Minjian; Wang, Bin; Li, Jian-Rong","Tetrazolate‒azido‒copper(ii) coordination polymers: tuned synthesis, structure, and magnetic properties","CrystEngComm","2015","17","22","4136","","10.1039/C5CE00531K","","","0.71073","MoKα","","0.0173","0.0169","","","0.0397","0.0398","","","","","","1.148","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220387","11.804","0.002","5.7178","0.0011","10.984","0.002","90","","115.84","0.03","90","","667.2","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C H7 Cu N9 -","- C H7 Cu N9 -","- C4 H28 Cu4 N36 -","4","0.5","","Xie, Ya-Bo; Gan, Lei; Carolina Sañudo, E.; Zheng, Haiyang; Zhao, Jiongpeng; Zhao, Minjian; Wang, Bin; Li, Jian-Rong","Tetrazolate‒azido‒copper(ii) coordination polymers: tuned synthesis, structure, and magnetic properties","CrystEngComm","2015","17","22","4136","","10.1039/C5CE00531K","","","0.71073","MoKα","","0.0336","0.0318","","","0.0893","0.0901","","","","","","1.142","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220388","13.3217","0.0002","11.7975","0.0002","23.3963","0.0005","90","","123.48","0.002","90","","3066.93","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H Cd2 N4 O9 -","- C20 H18 Cd2 N8 O13 -","- C80 H72 Cd8 N32 O52 -","4","1","","Yin, Wen-Xia; Liu, Yi-Ting; Ding, Yu-Jia; Lin, Qiang; Lin, Xiao-Ming; Wu, Chun-Lei; Yao, Xiang-Dong; Cai, Yue-Peng","Construction of variable dimensional cadmium(ii) coordination polymers from pyridine-2,3-dicarboxylic acid","CrystEngComm","2015","17","19","3619","","10.1039/C5CE00378D","","","0.71073","MoKα","","0.0423","0.0382","","","0.0838","0.0862","","","","","","1.041","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220389","21.032","0.002","7.9734","0.0008","12.5404","0.0013","90","","110.192","0.001","90","","1973.7","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H8 Cd N O7 -","- C6 H8 Cd N2 O7 -","- C48 H64 Cd8 N16 O56 -","8","1","","Yin, Wen-Xia; Liu, Yi-Ting; Ding, Yu-Jia; Lin, Qiang; Lin, Xiao-Ming; Wu, Chun-Lei; Yao, Xiang-Dong; Cai, Yue-Peng","Construction of variable dimensional cadmium(ii) coordination polymers from pyridine-2,3-dicarboxylic acid","CrystEngComm","2015","17","19","3619","","10.1039/C5CE00378D","","","0.71073","MoKα","","0.0223","0.0209","","","0.0534","0.0543","","","","","","0.982","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220390","15.5653","0.0018","15.3856","0.0018","14.8364","0.0017","90","","109.725","0.001","90","","3344.6","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H29 Cd2 N7 O15 -","- C27 H29 Cd2 N7 O15 -","- C108 H116 Cd8 N28 O60 -","4","1","","Yin, Wen-Xia; Liu, Yi-Ting; Ding, Yu-Jia; Lin, Qiang; Lin, Xiao-Ming; Wu, Chun-Lei; Yao, Xiang-Dong; Cai, Yue-Peng","Construction of variable dimensional cadmium(ii) coordination polymers from pyridine-2,3-dicarboxylic acid","CrystEngComm","2015","17","19","3619","","10.1039/C5CE00378D","","","0.71073","MoKα","","0.0846","0.0664","","","0.1844","0.203","","","","","","0.98","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220391","10.7212","0.0001","7.7259","0.0001","8.678","0.0001","90","","110.037","0.001","90","","675.298","0.014","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H3 Cd N O4 -","- C7 H3 Cd N O4 -","- C28 H12 Cd4 N4 O16 -","4","1","","Yin, Wen-Xia; Liu, Yi-Ting; Ding, Yu-Jia; Lin, Qiang; Lin, Xiao-Ming; Wu, Chun-Lei; Yao, Xiang-Dong; Cai, Yue-Peng","Construction of variable dimensional cadmium(ii) coordination polymers from pyridine-2,3-dicarboxylic acid","CrystEngComm","2015","17","19","3619","","10.1039/C5CE00378D","","","0.71073","MoKα","","0.0255","0.0235","","","0.0596","0.061","","","","","","1.082","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220392","9.1774","0.0008","16.6983","0.0015","14.3375","0.0011","90","","105.865","0.004","90","","2113.5","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","felodipine:acetone (1:1)","felodipine:acetone (1:1)","","- C21 H25 Cl2 N O5 -","- C21 H25 Cl2 N O5 -","- C84 H100 Cl8 N4 O20 -","4","1","","Surov, Artem O.; Solanko, Katarzyna A.; Bond, Andrew D.; Bauer-Brandl, Annette; Perlovich, German L.","Diversity of felodipine solvates: structure and physicochemical properties","CrystEngComm","2015","17","22","4089","","10.1039/C5CE00350D","","","0.71073","MoKα","","0.0587","0.0397","","","0.0857","0.0929","","","","","","1.035","","","","has coordinates","138522","2020-10-21","18:00:00",""
"7220393","7.394","0.0007","11.4991","0.001","29.003","0.002","90","","90","","90","","2466","0.4","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","felodipine:acetophenone (1:1)","","","- C26 H27 Cl2 N O5 -","- C26 H27 Cl2 N O5 -","- C104 H108 Cl8 N4 O20 -","4","1","","Surov, Artem O.; Solanko, Katarzyna A.; Bond, Andrew D.; Bauer-Brandl, Annette; Perlovich, German L.","Diversity of felodipine solvates: structure and physicochemical properties","CrystEngComm","2015","17","22","4089","","10.1039/C5CE00350D","","","0.71073","MoKα","","0.0699","0.0531","","","0.1121","0.1186","","","","","","1.067","","","","has coordinates","138522","2020-10-21","18:00:00",""
"7220394","8.66","0.003","9.816","0.003","13.782","0.004","87.37","0.02","79.17","0.03","77.79","0.03","1124.6","0.6","298","2","298","2","","","","","","","","6","P -1","-P 1","2","felodipine:dimethylsulfoxide (1:1)","","","- C20 H25 Cl2 N O5 S -","- C20 H25 Cl2 N O5 S -","- C40 H50 Cl4 N2 O10 S2 -","2","1","","Surov, Artem O.; Solanko, Katarzyna A.; Bond, Andrew D.; Bauer-Brandl, Annette; Perlovich, German L.","Diversity of felodipine solvates: structure and physicochemical properties","CrystEngComm","2015","17","22","4089","","10.1039/C5CE00350D","","","0.71073","MoKα","","0.1603","0.0841","","","0.1971","0.242","","","","","","1.044","","","","has coordinates,has disorder","138522","2020-10-21","18:00:00",""
"7220395","14.265","0.005","7.246","0.002","8.86","0.003","90","","90","","90","","915.8","0.5","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C8 H11 O3 P -","- C8 H11 O3 P -","- C32 H44 O12 P4 -","4","1","","Hossain, Sazzat; Gupta, Sandeep K.; Murugavel, Ramaswamy","2,6-Dimethylphenol derived H-phosphonate and α-hydroxyphosphonate: facile synthesis, crystal chemistry, supramolecular association and metal complexation","CrystEngComm","2015","17","23","4355","","10.1039/C5CE00675A","","","0.71075","MoKα","","0.0249","0.0247","","","0.0586","0.0587","","","","","","1.063","","","","has coordinates","138553","2020-10-21","18:00:00",""
"7220396","6.1259","0.0012","13.308","0.003","14.863","0.003","90","","90","","90","","1211.7","0.4","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H17 O4 P -","- C11 H17 O4 P -","- C44 H68 O16 P4 -","4","1","","Hossain, Sazzat; Gupta, Sandeep K.; Murugavel, Ramaswamy","2,6-Dimethylphenol derived H-phosphonate and α-hydroxyphosphonate: facile synthesis, crystal chemistry, supramolecular association and metal complexation","CrystEngComm","2015","17","23","4355","","10.1039/C5CE00675A","","","0.71075","MoKα","","0.0197","0.0197","","","0.0523","0.0524","","","","","","1.072","","","","has coordinates","138553","2020-10-21","18:00:00",""
"7220397","21.412","0.005","7.5902","0.0015","18.474","0.004","90","","105.45","0.004","90","","2893.9","1.1","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H21 O5 P -","- C12 H21 O5 P -","- C96 H168 O40 P8 -","8","1","","Hossain, Sazzat; Gupta, Sandeep K.; Murugavel, Ramaswamy","2,6-Dimethylphenol derived H-phosphonate and α-hydroxyphosphonate: facile synthesis, crystal chemistry, supramolecular association and metal complexation","CrystEngComm","2015","17","23","4355","","10.1039/C5CE00675A","","","0.71075","MoKα","","0.0329","0.0322","","","0.087","0.0876","","","","","","1.056","","","","has coordinates","138553","2020-10-21","18:00:00",""
"7220398","17.986","0.003","7.8722","0.0011","28.879","0.004","90","","92.107","0.003","90","","4086.2","1.1","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H19 O5 P -","- C11 H19 O5 P -","- C132 H228 O60 P12 -","12","3","","Hossain, Sazzat; Gupta, Sandeep K.; Murugavel, Ramaswamy","2,6-Dimethylphenol derived H-phosphonate and α-hydroxyphosphonate: facile synthesis, crystal chemistry, supramolecular association and metal complexation","CrystEngComm","2015","17","23","4355","","10.1039/C5CE00675A","","","0.71075","MoKα","","0.0632","0.0603","","","0.1618","0.1645","","","","","","1.06","","","","has coordinates,has disorder","138553","2020-10-21","18:00:00",""
"7220399","12.989","0.005","9.027","0.004","14.006","0.005","90","","111.738","0.005","90","","1525.4","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H24 N O4 P -","- C13 H24 N O4 P -","- C52 H96 N4 O16 P4 -","4","1","","Hossain, Sazzat; Gupta, Sandeep K.; Murugavel, Ramaswamy","2,6-Dimethylphenol derived H-phosphonate and α-hydroxyphosphonate: facile synthesis, crystal chemistry, supramolecular association and metal complexation","CrystEngComm","2015","17","23","4355","","10.1039/C5CE00675A","","","0.71075","MoKα","","0.0465","0.042","","","0.09","0.0928","","","","","","1.103","","","","has coordinates","138553","2020-10-21","18:00:00",""
"7220400","16.269","0.004","24.011","0.006","18.92","0.005","90","","112.875","0.004","90","","6810","3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H44 Cu N2 O10 P2 -","- C32 H44 Cu N2 O10 P2 -","- C256 H352 Cu8 N16 O80 P16 -","8","2","","Hossain, Sazzat; Gupta, Sandeep K.; Murugavel, Ramaswamy","2,6-Dimethylphenol derived H-phosphonate and α-hydroxyphosphonate: facile synthesis, crystal chemistry, supramolecular association and metal complexation","CrystEngComm","2015","17","23","4355","","10.1039/C5CE00675A","","","0.71075","MoKα","","0.0872","0.0755","","","0.1572","0.1646","","","","","","1.161","","","","has coordinates","138553","2020-10-21","18:00:00",""
"7220401","16.398","0.006","23.992","0.008","18.942","0.007","90","","112.576","0.005","90","","6881","4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H44 N2 O10 P2 Zn -","- C32 H44 N2 O10 P2 Zn -","- C256 H352 N16 O80 P16 Zn8 -","8","2","","Hossain, Sazzat; Gupta, Sandeep K.; Murugavel, Ramaswamy","2,6-Dimethylphenol derived H-phosphonate and α-hydroxyphosphonate: facile synthesis, crystal chemistry, supramolecular association and metal complexation","CrystEngComm","2015","17","23","4355","","10.1039/C5CE00675A","","","0.71075","MoKα","","0.1115","0.1009","","","0.271","0.2885","","","","","","1.188","","","","has coordinates","138553","2020-10-21","18:00:00",""
"7220402","11.9663","0.0017","9.6417","0.0014","23.758","0.003","90","","99.533","0.002","90","","2703.2","0.6","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","1","","","- C16 H40 Cl3 Cr N4 O2 S2 -","- C16 H40 Cl3 Cr N4 O2 S2 -","- C64 H160 Cl12 Cr4 N16 O8 S8 -","4","2","","Wang, Ai; Merkens, Carina; Englert, Ulli","Interplay of ligand chirality and metal configuration in mononuclear complexes and in a coordination polymer of Cr(iii)","CrystEngComm","2015","17","23","4293","","10.1039/C5CE00586H","","","0.71073","MoKα","","0.047","0.038","","","0.0887","0.0921","","","","","","1.091","","","","has coordinates,has disorder","138554","2020-10-21","18:00:00",""
"7220403","25.314","0.006","11.006","0.003","14.816","0.004","90","","111.163","0.005","90","","3849.4","1.7","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","2","","","- C26 H61 Cl6 Cr2 N8 O -","- C26 H61 Cl6 Cr2 N8 O -","- C104 H244 Cl24 Cr8 N32 O4 -","4","1","","Wang, Ai; Merkens, Carina; Englert, Ulli","Interplay of ligand chirality and metal configuration in mononuclear complexes and in a coordination polymer of Cr(iii)","CrystEngComm","2015","17","23","4293","","10.1039/C5CE00586H","","","0.71073","MoKα","","0.1095","0.0676","","","0.1451","0.1684","","","","","","1.001","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7220404","11.171","0.004","7.283","0.002","15.335","0.005","90","","101.113","0.005","90","","1224.2","0.7","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","3","","","- C18 H34 Cr N7 O8 -","- C18 H34 Cr N7 O8 -","- C36 H68 Cr2 N14 O16 -","2","1","","Wang, Ai; Merkens, Carina; Englert, Ulli","Interplay of ligand chirality and metal configuration in mononuclear complexes and in a coordination polymer of Cr(iii)","CrystEngComm","2015","17","23","4293","","10.1039/C5CE00586H","","","0.71073","MoKα","","0.0712","0.0638","","","0.1646","0.1697","","","","","","1.083","","","","has coordinates,has disorder","138554","2020-10-21","18:00:00",""
"7220405","7.1767","0.0005","12.5519","0.0009","14.7649","0.001","100.486","0.0011","93.4647","0.0011","106.358","0.0011","1246.06","0.15","100","2","100","2","","","","","","","","5","P 1","P 1","1","4","","","- C36 H70 Cr2 N14 O17 -","- C36 H70 Cr2 N14 O17 -","- C36 H70 Cr2 N14 O17 -","1","1","","Wang, Ai; Merkens, Carina; Englert, Ulli","Interplay of ligand chirality and metal configuration in mononuclear complexes and in a coordination polymer of Cr(iii)","CrystEngComm","2015","17","23","4293","","10.1039/C5CE00586H","","","0.71073","MoKα","","0.0645","0.0538","","","0.1277","0.1367","","","","","","1.082","","","","has coordinates,has disorder","138554","2020-10-21","18:00:00",""
"7220406","9.503","0.0006","13.741","0.0009","19.6128","0.0013","71.2181","0.0011","83.8466","0.0012","71.8161","0.0011","2303.5","0.3","100","2","100","2","","","","","","","","5","P 1","P 1","1","6","","","- C18 H28 Cr N5 O8 -","- C18 H28 Cr N5 O8 -","- C72 H112 Cr4 N20 O32 -","4","4","","Wang, Ai; Merkens, Carina; Englert, Ulli","Interplay of ligand chirality and metal configuration in mononuclear complexes and in a coordination polymer of Cr(iii)","CrystEngComm","2015","17","23","4293","","10.1039/C5CE00586H","","","0.71073","MoKα","","0.0645","0.0512","","","0.1044","0.1144","","","","","","1","","","","has coordinates,has disorder","138554","2020-10-21","18:00:00",""
"7220407","8.287","0.0017","14.806","0.003","21.367","0.004","90","","90","","90","","2621.7","0.9","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","7","","","- C19 H30 Cr F6 N4 O5 P -","- C19 H30 Cr F6 N4 O5 P -","- C76 H120 Cr4 F24 N16 O20 P4 -","4","1","","Wang, Ai; Merkens, Carina; Englert, Ulli","Interplay of ligand chirality and metal configuration in mononuclear complexes and in a coordination polymer of Cr(iii)","CrystEngComm","2015","17","23","4293","","10.1039/C5CE00586H","","","0.71073","MoKα","","0.0577","0.0451","","","0.1044","0.1134","","","","","","1.051","","","","has coordinates","138554","2020-10-21","18:00:00",""
"7220408","10.078","0.002","42.812","0.009","7.2997","0.0016","90","","90","","90","","3149.5","1.1","100","2","100","2","","","","","","","","8","C 2 2 2","C 2 2","21","8","","","- C36 H68 Ag Cr2 F18 N8 O16 P3 -","- C36 H52 Ag Cr2 F18 N8 O16.024 P3 -","- C72 H104 Ag2 Cr4 F36 N16 O32.048 P6 -","2","0.25","","Wang, Ai; Merkens, Carina; Englert, Ulli","Interplay of ligand chirality and metal configuration in mononuclear complexes and in a coordination polymer of Cr(iii)","CrystEngComm","2015","17","23","4293","","10.1039/C5CE00586H","","","0.71073","MoKα","","0.0743","0.0622","","","0.1747","0.188","","","","","","1.087","","","","has coordinates,has disorder","138554","2020-10-21","18:00:00",""
"7220431","7.967","0.0016","27.574","0.006","19.131","0.004","90","","90.23","0.03","90","","4202.7","1.5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","compound 4 in the relevant manuscript","skd175","","- C27 H33 Cl Fe3 N3 O17 -","- C27 H33 Cl Fe3 N3 O17 -","- C108 H132 Cl4 Fe12 N12 O68 -","4","1","","Sabbani, Supriya; Das, Samar K.","Reversible solid to solid transformation in a crystalline state gas‒solid reaction under ambient conditions: Fe‒N(pyridine) bond formation at the expense of Fe‒OH2bond breaking and vice versa","CrystEngComm","2015","17","46","8850","","10.1039/C5CE00488H","","","0.71073","MoKα","","0.2802","0.2369","","","0.5238","0.5415","","","","","","1.722","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220432","8.6812","0.0009","4.9972","0.0006","17.5379","0.0018","90","","97.339","0.006","90","","754.59","0.14","110","2","110","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","6,13-Dichloropentacene","","- C22 H12 Cl2 -","- C22 H12 Cl2 -","- C44 H24 Cl4 -","2","0.5","","Hatcher, Peggy V.; Reibenspies, Joseph H.; Haddon, Robert C.; Li, Dawen; Lopez, Nereo; Chi, Xiaoliu","A polymorph of the 6,13-dichloropentacene organic semiconductor: crystal structure, semiconductor measurements and band structure calculations","CrystEngComm","2015","17","22","4172","","10.1039/C5CE00300H","","","1.54178","CuKα","","0.0631","0.061","","","0.1502","0.1525","","","","","","1.042","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220433","12.8388","0.0018","12.8388","0.0018","12.6024","0.0017","90","","90","","90","","2077.3","0.5","100","2","100","2","","","","","","","","3","P 4/n :2","-P 4a","85","","","","- C46 H62 O5 -","- C46 H56 O5 -","- C92 H112 O10 -","2","0.25","","Morohashi, Naoya; Nanbu, Kazuki; Tonosaki, Ayano; Noji, Shintaro; Hattori, Tetsutaro","Comparison of inclusion properties between p-tert-butylcalix[4]arene and p-tert-butylthiacalix[4]arene towards primary alcohols in crystals","CrystEngComm","2015","17","26","4799","","10.1039/C5CE00370A","","","0.71073","MoKα","","0.0712","0.0617","","","0.1896","0.1998","","","","","","1.156","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220434","12.7797","0.0012","12.7797","0.0012","12.7967","0.0017","90","","90","","90","","2090","0.4","100","2","100","2","","","","","","","","3","P 4/n :2","-P 4a","85","","","","- C46 H64 O6 -","- C46 H56 O6 -","- C92 H112 O12 -","2","0.25","","Morohashi, Naoya; Nanbu, Kazuki; Tonosaki, Ayano; Noji, Shintaro; Hattori, Tetsutaro","Comparison of inclusion properties between p-tert-butylcalix[4]arene and p-tert-butylthiacalix[4]arene towards primary alcohols in crystals","CrystEngComm","2015","17","26","4799","","10.1039/C5CE00370A","","","0.71073","MoKα","","0.0548","0.0454","","","0.1216","0.1316","","","","","","1.04","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220435","12.977","0.002","12.977","0.002","12.563","0.002","90","","90","","90","","2115.6","0.6","100","2","100","2","","","","","","","","3","P 4/n :2","-P 4a","85","","","","- C49 H68 O5 -","- C49 H56 O5 -","- C98 H112 O10 -","2","0.25","","Morohashi, Naoya; Nanbu, Kazuki; Tonosaki, Ayano; Noji, Shintaro; Hattori, Tetsutaro","Comparison of inclusion properties between p-tert-butylcalix[4]arene and p-tert-butylthiacalix[4]arene towards primary alcohols in crystals","CrystEngComm","2015","17","26","4799","","10.1039/C5CE00370A","","","0.71073","MoKα","","0.0789","0.0706","","","0.2095","0.2205","","","","","","1.044","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220436","12.8494","0.0013","12.8494","0.0013","25.11","0.003","90","","90","","90","","4145.8","0.8","100","2","100","2","","","","","","","","3","P 4/n n c :2","-P 4a 2bc","126","","","","- C46.5 H62 O4.5 -","- C46.5 H56 O4.5 -","- C186 H224 O18 -","4","0.25","","Morohashi, Naoya; Nanbu, Kazuki; Tonosaki, Ayano; Noji, Shintaro; Hattori, Tetsutaro","Comparison of inclusion properties between p-tert-butylcalix[4]arene and p-tert-butylthiacalix[4]arene towards primary alcohols in crystals","CrystEngComm","2015","17","26","4799","","10.1039/C5CE00370A","","","0.71073","MoKα","","0.0693","0.0579","","","0.1849","0.1948","","","","","","1.56","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7220437","12.8486","0.0018","12.8486","0.0018","12.6773","0.0018","90","","90","","90","","2092.9","0.5","100","2","100","2","","","","","","","","3","P 4/n :2","-P 4a","85","","","","- C47 H64 O5 -","- C47 H56 O5 -","- C94 H112 O10 -","2","0.25","","Morohashi, Naoya; Nanbu, Kazuki; Tonosaki, Ayano; Noji, Shintaro; Hattori, Tetsutaro","Comparison of inclusion properties between p-tert-butylcalix[4]arene and p-tert-butylthiacalix[4]arene towards primary alcohols in crystals","CrystEngComm","2015","17","26","4799","","10.1039/C5CE00370A","","","0.71073","MoKα","","0.0907","0.066","","","0.1881","0.2109","","","","","","1.133","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220438","15.8115","0.0011","15.8115","0.0011","8.2875","0.0012","90","","90","","90","","2071.9","0.4","223","2","223","2","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- C42 H54 O5 S4 -","- C42 H48 O5 S4 -","- C84 H96 O10 S8 -","2","0.125","","Morohashi, Naoya; Nanbu, Kazuki; Tonosaki, Ayano; Noji, Shintaro; Hattori, Tetsutaro","Comparison of inclusion properties between p-tert-butylcalix[4]arene and p-tert-butylthiacalix[4]arene towards primary alcohols in crystals","CrystEngComm","2015","17","26","4799","","10.1039/C5CE00370A","","","0.71073","MoKα","","0.0962","0.0864","","","0.2301","0.2557","","","","","","1.082","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220439","15.7827","0.0007","15.7827","0.0007","8.2365","0.0007","90","","90","","90","","2051.7","0.2","223","2","223","2","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- C41 H52 O5 S4 -","- C41 H48 O5 S4 -","- C82 H96 O10 S8 -","2","0.125","","Morohashi, Naoya; Nanbu, Kazuki; Tonosaki, Ayano; Noji, Shintaro; Hattori, Tetsutaro","Comparison of inclusion properties between p-tert-butylcalix[4]arene and p-tert-butylthiacalix[4]arene towards primary alcohols in crystals","CrystEngComm","2015","17","26","4799","","10.1039/C5CE00370A","","","0.71073","MoKα","","0.1001","0.0955","","","0.2366","0.2559","","","","","","1.185","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220440","15.7986","0.0009","15.7986","0.0009","8.5474","0.001","90","","90","","90","","2133.4","0.3","223","2","223","2","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- C43 H56 O5 S4 -","- C43 H44 O5 S4 -","- C86 H88 O10 S8 -","2","0.125","","Morohashi, Naoya; Nanbu, Kazuki; Tonosaki, Ayano; Noji, Shintaro; Hattori, Tetsutaro","Comparison of inclusion properties between p-tert-butylcalix[4]arene and p-tert-butylthiacalix[4]arene towards primary alcohols in crystals","CrystEngComm","2015","17","26","4799","","10.1039/C5CE00370A","","","0.71073","MoKα","","0.1063","0.098","","","0.242","0.263","","","","","","1.132","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220441","23.3664","0.0003","23.3664","0.0003","23.3664","0.0003","90","","90","","90","","12757.8","0.3","173","2","173","2","","","","","","","","5","I a -3","-I 2b 2c 3","206","","","","- C78 H48 O14 P2 Zn3 -","- C78 H48 O14 P2 Zn3 -","- C624 H384 O112 P16 Zn24 -","8","0.166667","","Yang, Yan-Yan; Lin, Zu-Jin; Liang, Jun; Huang, Yuanbiao; Cao, Rong","Coordination polymers constructed from a tripodal phosphoryl carboxylate ligand: synthesis, structures and physical properties","CrystEngComm","2015","17","24","4547","","10.1039/C5CE00430F","","","1.54184","CuKα","","0.0867","0.0703","","","0.2264","0.2576","","","","","","1.065","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220442","23.7697","0.0004","23.7697","0.0004","23.7697","0.0004","90","","90","","90","","13429.8","0.4","173","2","173","2","","","","","","","","5","I a -3","-I 2b 2c 3","206","","","","- C78 H48 Cd3 O14 P2 -","- C78 H48 Cd3 O14 P2 -","- C624 H384 Cd24 O112 P16 -","8","0.166667","","Yang, Yan-Yan; Lin, Zu-Jin; Liang, Jun; Huang, Yuanbiao; Cao, Rong","Coordination polymers constructed from a tripodal phosphoryl carboxylate ligand: synthesis, structures and physical properties","CrystEngComm","2015","17","24","4547","","10.1039/C5CE00430F","","","1.54184","CuKα","","0.1314","0.0967","","","0.2967","0.338","","","","","","1.174","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220443","23.3991","0.0004","23.3991","0.0004","23.3991","0.0004","90","","90","","90","","12811.4","0.4","173","2","173","2","","","","","","","","5","I a -3","-I 2b 2c 3","206","","","","- C78 H48 Co3 O14 P2 -","- C78 H48 Co3 O14 P2 -","- C624 H384 Co24 O112 P16 -","8","0.166667","","Yang, Yan-Yan; Lin, Zu-Jin; Liang, Jun; Huang, Yuanbiao; Cao, Rong","Coordination polymers constructed from a tripodal phosphoryl carboxylate ligand: synthesis, structures and physical properties","CrystEngComm","2015","17","24","4547","","10.1039/C5CE00430F","","","1.54184","CuKα","","0.1747","0.0892","","","0.27","0.325","","","","","","1.056","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220444","23.5428","0.0002","23.5428","0.0002","23.5428","0.0002","90","","90","","90","","13048.9","0.19","173","2","173","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- C39 H24 In O7 P -","- C39 H24 In O7 P -","- C624 H384 In16 O112 P16 -","16","0.333333","","Yang, Yan-Yan; Lin, Zu-Jin; Liang, Jun; Huang, Yuanbiao; Cao, Rong","Coordination polymers constructed from a tripodal phosphoryl carboxylate ligand: synthesis, structures and physical properties","CrystEngComm","2015","17","24","4547","","10.1039/C5CE00430F","","","1.54184","CuKα","","0.0668","0.0578","","","0.1555","0.1702","","","","","","1.18","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220448","10.264","0.001","10.674","0.001","17.308","0.001","92.084","0.001","103.251","0.001","103.06","0.001","1790.2","0.3","120","2","120","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","catena-((μu2-pyrazine)-hexakis(μu2-cyano)-decakis(cyano)-decakis(dimethylformamide)-tri-cobalt(ii)-di-tungsten(v))","","- C50 H74 Co3 N28 O10 W2 -","- C50 H74 Co3 N28 O10 W2 -","- C50 H74 Co3 N28 O10 W2 -","1","0.5","","Stefańczyk, O.; Majcher, A. M.; Rams, M.; Nitek, W.; Mathonière, C.; Sieklucka, B.","Linking magnetic MII‒[MV(CN)8] chains into 2D inorganic‒organic hybrid materials","CrystEngComm","2015","17","24","4533","","10.1039/C5CE00414D","","x-ray","0.71069","MoKα","","0.0246","0.0229","","","0.0569","0.0581","","","","","","1.089","","","","has coordinates","143404","2020-10-21","18:00:00",""
"7220449","10.067","0.001","10.714","0.001","17.449","0.0003","93.286","0.001","104.191","0.001","102.986","0.001","1765.3","0.2","120","2","120","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","catena-((μu2-pyrazine)-hexakis(μu2-cyano)-decakis(cyano)-decakis(dimethylformamide)-tri-copper(ii)-di-tungsten(v))","","- C50 H74 Cu3 N28 O10 W2 -","- C50 H74 Cu3 N28 O10 W2 -","- C50 H74 Cu3 N28 O10 W2 -","1","0.5","","Stefańczyk, O.; Majcher, A. M.; Rams, M.; Nitek, W.; Mathonière, C.; Sieklucka, B.","Linking magnetic MII‒[MV(CN)8] chains into 2D inorganic‒organic hybrid materials","CrystEngComm","2015","17","24","4533","","10.1039/C5CE00414D","","x-ray","0.71069","MoKα","","0.0358","0.0292","","","0.0656","0.0689","","","","","","1.026","","","","has coordinates","143404","2020-10-21","18:00:00",""
"7220450","10.056","0.0003","10.697","0.0003","17.41","0.0005","93.364","0.002","104.168","0.002","102.945","0.002","1756.85","0.09","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","catena-((μu2-pyrazine)-hexakis(μu2-cyano)-decakis(cyano)-decakis(dimethylformamide)-tri-copper(ii)-di-molybdenum(v))","","- C50 H74 Cu3 Mo2 N28 O10 -","- C50 H74 Cu3 Mo2 N28 O10 -","- C50 H74 Cu3 Mo2 N28 O10 -","1","0.5","","Stefańczyk, O.; Majcher, A. M.; Rams, M.; Nitek, W.; Mathonière, C.; Sieklucka, B.","Linking magnetic MII‒[MV(CN)8] chains into 2D inorganic‒organic hybrid materials","CrystEngComm","2015","17","24","4533","","10.1039/C5CE00414D","","","0.71073","MoKα","","0.0432","0.032","","","0.0746","0.0801","","","","27.107","27.107","1.046","","","","has coordinates","143404","2020-10-21","18:00:00",""
"7220451","9.2862","0.0002","9.2862","0.0002","8.3796","0.0004","90","","90","","90","","722.6","0.04","296","2","296","2","","","","","","","","5","P -4 n 2","P -4 -2n","118","","","","- Ca K4 O14 Si4 U -","- Ca K4 O14 Si4 U -","- Ca2 K8 O28 Si8 U2 -","2","0.25","","Morrison, Gregory; Smith, Mark D.; Tran, T. Thao; Halasyamani, P. Shiv; zur Loye, Hans-Conrad","Synthesis and structure of the new pentanary uranium(vi) silicate, K4CaUSi4O14, a member of a structural family related to fresnoite","CrystEngComm","2015","17","22","4218","","10.1039/C5CE00504C","","","0.71073","MoKα","","0.0321","0.027","","","0.0637","0.0664","","","","","","1.066","","","","has coordinates","138514","2020-10-21","18:00:00",""
"7220452","31.4206","0.0003","31.4206","0.0003","44.8239","0.0005","90","","90","","90","","44252.6","0.8","293","2","293","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C36 H18 Cu3 N9 O15 -","- C36 H18 Cu3 N9 O15 -","- C576 H288 Cu48 N144 O240 -","16","1","","Wang, Xiao-Jun; Li, Jian; Li, Qiu-Yan; Li, Pei-Zhou; Lu, Han; Lao, Qianying; Ni, Rui; Shi, Yanhui; Zhao, Yanli","A urea decorated (3,24)-connected rht-type metal‒organic framework exhibiting high gas uptake capability and catalytic activity","CrystEngComm","2015","17","25","4632","","10.1039/C5CE00625B","","","1.54184","CuKα","","0.0636","0.0554","","","0.1696","0.1772","","","","","","1.06","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220474","28.406","0.002","15.1613","0.0011","19.2086","0.0016","90","","99.473","0.009","90","","8159.8","1.1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C88 H48 Br8 Fe2 N8 O -","- C88 H48 Br8 Fe2 N8 O -","- C352 H192 Br32 Fe8 N32 O4 -","4","0.5","","Hou, Yuxia; Zhu, Yingzhong; Sun, Junshan; Zhang, Xiaomei; Tian, Yupeng; Jiang, Jianzhuang","Self-assembly and nonlinear optical properties of (μ-oxo)bis[meso-tetrakis(p-bromophenyl-porphyrinato)iron(iii)]","CrystEngComm","2015","17","25","4699","","10.1039/C5CE00759C","","","0.71073","MoKα","","0.1736","0.0808","","","0.1855","0.2229","","","","","","0.999","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220475","14.2862","0.0011","15.307","0.003","19.102","0.003","90","","94.637","0.008","90","","4163.5","1.1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46.5 H29.5 Br4 Cl Fe N4.75 O0.75 -","- C44 H24 Br4 Cl Fe N4 -","- C176 H96 Br16 Cl4 Fe4 N16 -","4","1","","Hou, Yuxia; Zhu, Yingzhong; Sun, Junshan; Zhang, Xiaomei; Tian, Yupeng; Jiang, Jianzhuang","Self-assembly and nonlinear optical properties of (μ-oxo)bis[meso-tetrakis(p-bromophenyl-porphyrinato)iron(iii)]","CrystEngComm","2015","17","25","4699","","10.1039/C5CE00759C","","","1.54178","CuKα","","0.024","0.0221","","","0.0541","0.0556","","","","","","1.036","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220483","7.7237","0.0005","10.2576","0.0006","13.6801","0.0008","78.32","0.002","84.144","0.002","76.52","0.002","1030.43","0.11","123.15","","123.15","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H22 I N O4 S -","- C20 H22 I N O4 S -","- C40 H44 I2 N2 O8 S2 -","2","1","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Howard, Judith A. K.; Alfimov, Michael V.; Gromov, Sergey P.","Features of styryl dye crystal packings and their influence on [2 + 2] photocycloaddition reaction with single crystal retention","CrystEngComm","2015","17","24","4584","","10.1039/C5CE00653H","","","0.71073","MoKα","","0.0729","0.0637","","","0.1517","0.1615","","","","","","0.9894","","","","has coordinates","143418","2020-10-21","18:00:00",""
"7220484","7.4692","0.0004","15.9898","0.0009","18.4114","0.0011","110.533","0.002","91.966","0.002","94.712","0.002","2047.5","0.2","","","123.15","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H22 I N O3.5 S -","- C20 H22 I N O3.5 S -","- C80 H88 I4 N4 O14 S4 -","4","2","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Howard, Judith A. K.; Alfimov, Michael V.; Gromov, Sergey P.","Features of styryl dye crystal packings and their influence on [2 + 2] photocycloaddition reaction with single crystal retention","CrystEngComm","2015","17","24","4584","","10.1039/C5CE00653H","","","0.71073","MoKα","","0.0612","0.0582","","","0.1366","0.1421","","","","","","1.0103","","","","has coordinates","143418","2020-10-21","18:00:00",""
"7220485","7.484","0.005","10.197","0.007","14.512","0.01","94.449","0.01","103.752","0.011","105.623","0.01","1024","1.2","173.15","","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H22 I N O3.4 S -","- C20 H22 I N O3.4 S -","- C40 H44 I2 N2 O6.8 S2 -","2","1","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Howard, Judith A. K.; Alfimov, Michael V.; Gromov, Sergey P.","Features of styryl dye crystal packings and their influence on [2 + 2] photocycloaddition reaction with single crystal retention","CrystEngComm","2015","17","24","4584","","10.1039/C5CE00653H","","","0.71073","MoKα","","0.0407","0.0319","","","0.074","0.0783","","","","","","1.0314","","","","has coordinates,has disorder","143418","2020-10-21","18:00:00",""
"7220486","7.808","0.004","10.354","0.006","13.78","0.007","93.69","0.02","103.61","0.02","105.59","0.02","1033.2","1","","","103.15","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H46 I2 N O7 S2 -","- C40 H44 I2 N2 O7 S2 -","- C40 H44 I2 N2 O7 S2 -","1","0.5","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Howard, Judith A. K.; Alfimov, Michael V.; Gromov, Sergey P.","Features of styryl dye crystal packings and their influence on [2 + 2] photocycloaddition reaction with single crystal retention","CrystEngComm","2015","17","24","4584","","10.1039/C5CE00653H","","","1.54178","CuKα","","0.1565","0.0871","","","0.1902","0.228","","","","","","1.1164","","","","has coordinates","143418","2020-10-21","18:00:00",""
"7220487","7.564","0.004","10.338","0.005","14.496","0.007","93.619","0.005","104.077","0.005","105.686","0.005","1048.4","0.9","","","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H16 I N O3.5 S -","- C20 H16 I N O3.5 S -","- C40 H32 I2 N2 O7 S2 -","2","1","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Howard, Judith A. K.; Alfimov, Michael V.; Gromov, Sergey P.","Features of styryl dye crystal packings and their influence on [2 + 2] photocycloaddition reaction with single crystal retention","CrystEngComm","2015","17","24","4584","","10.1039/C5CE00653H","","","0.71073","MoKα","","0.0797","0.0696","","","0.1629","0.1682","","","","","","1.0319","","","","has coordinates,has disorder","143418","2020-10-21","18:00:00",""
"7220499","16.3977","0.0007","3.8099","0.0001","45.645","0.002","90","","90","","90","","2851.61","0.19","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","Vanillin","","- C8 H8 O3 -","- C8 H8 O3 -","- C128 H128 O48 -","16","4","","Kavuru, Padmini; Grebinoski, Stephanie J.; Patel, Mitulkumar A.; Wojtas, Lukasz; Chadwick, Keith","Polymorphism of vanillin revisited: the discovery and selective crystallization of a rare crystal structure","CrystEngComm","2016","18","7","1118","","10.1039/C5CE00568J","","","1.54178","CuKα","","0.0465","0.0387","","","0.0887","0.0925","","","","","","1.028","","","","has coordinates","177738","2020-10-21","18:00:00",""
"7220504","8.7922","0.0006","14.9186","0.0008","13.4193","0.001","90","","120.13","0.005","90","","1522.35","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 Cu N2 O5 -","- C15 H11 Cu N2 O5 -","- C60 H44 Cu4 N8 O20 -","4","1","","Su, Yanqing; Li, Xinxiong; Li, Xiaoju; Pan, Hui; Wang, Ruihu","Effects of hydroxy substituents on Cu(ii) coordination polymers based on 5-hydroxyisophthalate derivatives and 1,4-bis(2-methylimidazol-1-yl)benzene","CrystEngComm","2015","17","26","4883","","10.1039/C5CE00774G","","","0.71073","MoKα","","0.0411","0.0372","","","0.0897","0.0922","","","","","","1.088","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220505","26.424","0.014","9.529","0.004","19.889","0.011","90","","124.468","0.008","90","","4129","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20.5 H17 Cu2 N2 O8.5 -","- C20.5 H15.5 Cu2 N2 O8.5 -","- C164 H124 Cu16 N16 O68 -","8","1","","Su, Yanqing; Li, Xinxiong; Li, Xiaoju; Pan, Hui; Wang, Ruihu","Effects of hydroxy substituents on Cu(ii) coordination polymers based on 5-hydroxyisophthalate derivatives and 1,4-bis(2-methylimidazol-1-yl)benzene","CrystEngComm","2015","17","26","4883","","10.1039/C5CE00774G","","","0.71073","MoKα","","0.0421","0.035","","","0.0876","0.0922","","","","","","1.073","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220506","13.5914","0.0006","12.6315","0.0007","18.4809","0.0009","90","","90","","90","","3172.8","0.3","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C29 H29 Cu N6 O9 -","- C29 H23 Cu N6 O9 -","- C116 H92 Cu4 N24 O36 -","4","0.5","","Su, Yanqing; Li, Xinxiong; Li, Xiaoju; Pan, Hui; Wang, Ruihu","Effects of hydroxy substituents on Cu(ii) coordination polymers based on 5-hydroxyisophthalate derivatives and 1,4-bis(2-methylimidazol-1-yl)benzene","CrystEngComm","2015","17","26","4883","","10.1039/C5CE00774G","","","0.71073","MoKα","","0.0598","0.0561","","","0.1504","0.154","","","","","","1.129","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220507","23.182","0.011","12.61","0.005","17.333","0.008","90","","130.001","0.007","90","","3881","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H34 Cu2 N4 O12 -","- C34 H34 Cu2 N4 O12 -","- C136 H136 Cu8 N16 O48 -","4","0.5","","Su, Yanqing; Li, Xinxiong; Li, Xiaoju; Pan, Hui; Wang, Ruihu","Effects of hydroxy substituents on Cu(ii) coordination polymers based on 5-hydroxyisophthalate derivatives and 1,4-bis(2-methylimidazol-1-yl)benzene","CrystEngComm","2015","17","26","4883","","10.1039/C5CE00774G","","","0.71073","MoKα","","0.0335","0.0304","","","0.0812","0.0826","","","","","","1.058","","","","has coordinates","143369","2020-10-21","18:00:00",""
"7220508","12.725","0.005","18.008","0.008","13.521","0.006","90","","90","","90","","3098","2","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C16 H15.5 Cu0.5 N2.5 O3 -","- C16 H12.5 Cu0.5 N2.5 O3 -","- C128 H100 Cu4 N20 O24 -","8","1","","Su, Yanqing; Li, Xinxiong; Li, Xiaoju; Pan, Hui; Wang, Ruihu","Effects of hydroxy substituents on Cu(ii) coordination polymers based on 5-hydroxyisophthalate derivatives and 1,4-bis(2-methylimidazol-1-yl)benzene","CrystEngComm","2015","17","26","4883","","10.1039/C5CE00774G","","","0.71073","MoKα","","0.0599","0.0483","","","0.1104","0.1191","","","","","","1.074","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220509","7.751","0.002","12.916","0.003","14.603","0.004","83.875","0.006","88.192","0.007","74.126","0.006","1398.2","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H29 Cu N4 O7.5 -","- C25 H24 Cu N4 O7.5 -","- C50 H48 Cu2 N8 O15 -","2","1","","Su, Yanqing; Li, Xinxiong; Li, Xiaoju; Pan, Hui; Wang, Ruihu","Effects of hydroxy substituents on Cu(ii) coordination polymers based on 5-hydroxyisophthalate derivatives and 1,4-bis(2-methylimidazol-1-yl)benzene","CrystEngComm","2015","17","26","4883","","10.1039/C5CE00774G","","","0.71073","MoKα","","0.0876","0.0596","","","0.1708","0.192","","","","","","1.062","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220510","20.9247","0.0095","20.9247","0.0095","6.4","","90","","90","","120","","2426.8","1.6","298","","298","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C42 H45 Cu3 N9 O5 -","- C33 H21 Cu3 N6 O4 -","- C66 H42 Cu6 N12 O8 -","2","0.0833333","","Tăbăcaru, Aurel; Galli, Simona; Pettinari, Claudio; Masciocchi, Norberto; McDonald, Thomas M.; Long, Jeffrey R.","Nickel(ii) and copper(i,ii)-based metal-organic frameworks incorporating an extended tris-pyrazolate linker","CrystEngComm","2015","17","27","4992","","10.1039/C5CE00561B","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","143422","2020-10-21","18:00:00",""
"7220511","12.499","0.003","15.4","0.004","17.164","0.004","79.589","0.003","74.873","0.003","81.892","0.003","3121.4","1.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","C-methyl-pryogallol[4]arene with rhodamine B","","","- C65 H82 N2 O20 -","- C65 H82 N2 O20 -","- C130 H164 N4 O40 -","2","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Atwood, Jerry L.","Establishing trends based on solvent system changes in cocrystals containing pyrogallol[4]arenes and fluorescent probes rhodamine B and pyronin Y","CrystEngComm","2015","17","24","4475","","10.1039/C5CE00771B","","","0.71073","MoKα","","0.0938","0.0519","","","0.1128","0.1326","","","","","","1.026","","","","has coordinates","143408","2020-10-21","18:00:00",""
"7220512","12.6309","0.0014","15.1204","0.0017","16.9812","0.0019","80.807","0.001","75.354","0.001","79.911","0.001","3066.5","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","C-methylpyrogallol[4]arene with rhodamine B","","","- C66 H80 N2 O18 -","- C66 H80 N2 O18 -","- C132 H160 N4 O36 -","2","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Atwood, Jerry L.","Establishing trends based on solvent system changes in cocrystals containing pyrogallol[4]arenes and fluorescent probes rhodamine B and pyronin Y","CrystEngComm","2015","17","24","4475","","10.1039/C5CE00771B","","","0.71073","MoKα","","0.0814","0.0583","","","0.1574","0.1774","","","","","","1.037","","","","has coordinates,has disorder","143408","2020-10-21","18:00:00",""
"7220513","12.4659","0.0007","15.6276","0.0008","17.6068","0.0009","69.247","0.002","75.581","0.003","78.539","0.003","3083.2","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","C-ethylpyrogallol[4]arene with rhodamine B","","","- C68 H86 N2 O19 -","- C68 H82 N2 O19 -","- C136 H164 N4 O38 -","2","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Atwood, Jerry L.","Establishing trends based on solvent system changes in cocrystals containing pyrogallol[4]arenes and fluorescent probes rhodamine B and pyronin Y","CrystEngComm","2015","17","24","4475","","10.1039/C5CE00771B","","","1.54178","CuKα","","0.0665","0.0581","","","0.1597","0.1697","","","","","","1.031","","","","has coordinates,has disorder","143408","2020-10-21","18:00:00",""
"7220514","33.748","0.004","12.5218","0.0013","31.831","0.003","90","","102.816","0.001","90","","13116","2","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","C-propylpyrogallol[4]arene with rhodamine B","","","- C71 H90.25 N2 O18.5 -","- C71 H86.25 N2 O18.5 -","- C568 H690 N16 O148 -","8","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Atwood, Jerry L.","Establishing trends based on solvent system changes in cocrystals containing pyrogallol[4]arenes and fluorescent probes rhodamine B and pyronin Y","CrystEngComm","2015","17","24","4475","","10.1039/C5CE00771B","","","0.71073","MoKα","","0.0805","0.0578","","","0.1577","0.1742","","","","","","1.039","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7220515","12.407","0.003","15.969","0.003","18.498","0.004","79.532","0.003","71.722","0.003","80.076","0.003","3395.9","1.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","C-propylpyrogallol[4]arene","","","- C72 H94 N2 O19 -","- C72 H94 N2 O19 -","- C144 H188 N4 O38 -","2","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Atwood, Jerry L.","Establishing trends based on solvent system changes in cocrystals containing pyrogallol[4]arenes and fluorescent probes rhodamine B and pyronin Y","CrystEngComm","2015","17","24","4475","","10.1039/C5CE00771B","","","0.71073","MoKα","","0.1579","0.0834","","","0.2403","0.3073","","","","","","1.046","","","","has coordinates,has disorder","143408","2020-10-21","18:00:00",""
"7220516","33.339","0.011","12.549","0.004","31.947","0.011","90","","105.02","0.005","90","","12909","7","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","C-propylpyrogallol[4]arene with rhodamine B","","","- C69 H84.5 N2.5 O17.5 -","- C69 H79.5 N2.5 O17.5 -","- C552 H636 N20 O140 -","8","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Atwood, Jerry L.","Establishing trends based on solvent system changes in cocrystals containing pyrogallol[4]arenes and fluorescent probes rhodamine B and pyronin Y","CrystEngComm","2015","17","24","4475","","10.1039/C5CE00771B","","","0.71073","MoKα","","0.127","0.0839","","","0.2358","0.2875","","","","","","1.057","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7220517","40.0943","0.0008","17.9485","0.0004","31.3076","0.0008","90","","90","","90","","22530","0.9","100","2","100","2","","","","","","","","4","C m c a","-C 2ac 2","64","C-methylpyrogallol[4]arene with pyronin Y","","","- C50.35 H68.5 N1.5 O21.85 -","- C50.25 H61.5 N1.5 O21.75 -","- C804 H984 N24 O348 -","16","","","Pfeiffer, Constance R.; Fowler, Drew A.; Atwood, Jerry L.","Establishing trends based on solvent system changes in cocrystals containing pyrogallol[4]arenes and fluorescent probes rhodamine B and pyronin Y","CrystEngComm","2015","17","24","4475","","10.1039/C5CE00771B","","","1.54178","CuKα","","0.1373","0.1235","","","0.4038","0.4302","","","","","","2.039","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7220518","14.103","0.002","14.457","0.002","15.357","0.003","63.031","0.002","69.038","0.002","84.764","0.002","2596.4","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","C-ethylpyrogallol[4]arene with pyronin Y","","","- C55 H65 Cl2 N2 O14 -","- C55 H65 Cl2 N2 O14 -","- C110 H130 Cl4 N4 O28 -","2","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Atwood, Jerry L.","Establishing trends based on solvent system changes in cocrystals containing pyrogallol[4]arenes and fluorescent probes rhodamine B and pyronin Y","CrystEngComm","2015","17","24","4475","","10.1039/C5CE00771B","","","0.71073","MoKα","","0.1358","0.0921","","","0.2178","0.2498","","","","","","1.036","","","","has coordinates,has disorder","143408","2020-10-21","18:00:00",""
"7220519","14.3619","0.0004","24.7111","0.0006","15.9255","0.0004","90","","109.14","0.003","90","","5339.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57.25 H42.75 N2.25 O11 Zn2 -","- C54 H38 N2 O10 Zn2 -","- C216 H152 N8 O40 Zn8 -","4","1","","Hu, Fei-Long; Wang, Shu-Long; Abrahams, Brendan F.; Lang, Jian-Ping","Observance of a large conformational change associated with the rotation of the naphthyl groups during the photodimerization of criss-cross aligned CC bonds within a 2D coordination polymer","CrystEngComm","2015","17","26","4903","","10.1039/C5CE00594A","","","0.71073","MoKα","","0.0761","0.0468","","","0.1034","0.1142","","","","","","0.992","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220520","14.1639","0.0005","25.2402","0.0007","15.9077","0.0007","90","","111.043","0.004","90","","5307.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57.25 H40.75 N2.25 O10 Zn2 -","- C54 H38 N2 O10 Zn2 -","- C216 H152 N8 O40 Zn8 -","4","1","","Hu, Fei-Long; Wang, Shu-Long; Abrahams, Brendan F.; Lang, Jian-Ping","Observance of a large conformational change associated with the rotation of the naphthyl groups during the photodimerization of criss-cross aligned CC bonds within a 2D coordination polymer","CrystEngComm","2015","17","26","4903","","10.1039/C5CE00594A","","","0.71073","MoKα","","0.1176","0.0769","","","0.1806","0.2013","","","","","","1.037","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220521","14.934","0.003","24.781","0.004","16.383","0.003","90","","109.435","0.004","90","","5717.5","1.8","273","2","273","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C66.25 H47.75 N2.25 O11.25 Zn2 -","- C62 H42 N2 O10 Zn2 -","- C248 H168 N8 O40 Zn8 -","4","1","","Hu, Fei-Long; Wang, Shu-Long; Abrahams, Brendan F.; Lang, Jian-Ping","Observance of a large conformational change associated with the rotation of the naphthyl groups during the photodimerization of criss-cross aligned CC bonds within a 2D coordination polymer","CrystEngComm","2015","17","26","4903","","10.1039/C5CE00594A","","","0.71073","MoKα","","0.1129","0.1051","","","0.2715","0.2791","","","","","","1.164","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220522","14.5426","0.0006","25.0252","0.0007","16.5912","0.0007","90","","109.841","0.005","90","","5679.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66.25 H45.25 N2.25 O10 Zn2 -","- C62 H42 N2 O10 Zn2 -","- C248 H168 N8 O40 Zn8 -","4","1","","Hu, Fei-Long; Wang, Shu-Long; Abrahams, Brendan F.; Lang, Jian-Ping","Observance of a large conformational change associated with the rotation of the naphthyl groups during the photodimerization of criss-cross aligned CC bonds within a 2D coordination polymer","CrystEngComm","2015","17","26","4903","","10.1039/C5CE00594A","","","0.71073","MoKα","","0.1297","0.099","","","0.2479","0.2645","","","","","","1.077","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220523","14.7573","0.0007","24.3576","0.0007","17.9206","0.001","90","","117.685","0.003","90","","5704.1","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66.25 H45.25 N2.25 O10 Zn2 -","- C62 H42 N2 O10 Zn2 -","- C248 H168 N8 O40 Zn8 -","4","1","","Hu, Fei-Long; Wang, Shu-Long; Abrahams, Brendan F.; Lang, Jian-Ping","Observance of a large conformational change associated with the rotation of the naphthyl groups during the photodimerization of criss-cross aligned CC bonds within a 2D coordination polymer","CrystEngComm","2015","17","26","4903","","10.1039/C5CE00594A","","","0.71073","MoKα","","0.1221","0.0762","","","0.1942","0.2237","","","","","","1.027","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220524","8.5607","0.001","14.1023","0.0017","20.294","0.002","88.5392","0.0017","86.4998","0.0015","81.2519","0.0016","2416.7","0.5","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H42 Gd4 N6 O45 -","- C24 H42 Gd4 N6 O45 -","- C48 H84 Gd8 N12 O90 -","2","1","","Ingram, Conrad W.; Kibakaya, Geoffrey; Bacsa, John; Mathis,II, Stephan R.; Holder, Alvin A.; Rambaran, Varma H.; Dennis, Brandon; Castaneda, Esmeralda; Robbins, Julianne S.; John Zhang, Z.","Complex three-dimensional lanthanide metal‒organic frameworks with variable coordination spheres based on pyrazine-2,3,5,6-tetracarboxylate","CrystEngComm","2015","17","29","5377","","10.1039/C4CE02564D","","","0.71073","MoKα","","0.069","0.057","","","0.1455","0.1516","","","","","","1.056","","","","has coordinates","153122","2020-10-21","18:00:00",""
"7220525","8.5627","0.0015","14.078","0.003","20.297","0.004","88.568","0.003","86.325","0.004","81.382","0.003","2413.8","0.8","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H42 N6 O45 Tb4 -","- C24 H35 N6 O45 Tb4 -","- C48 H70 N12 O90 Tb8 -","2","1","","Ingram, Conrad W.; Kibakaya, Geoffrey; Bacsa, John; Mathis,II, Stephan R.; Holder, Alvin A.; Rambaran, Varma H.; Dennis, Brandon; Castaneda, Esmeralda; Robbins, Julianne S.; John Zhang, Z.","Complex three-dimensional lanthanide metal‒organic frameworks with variable coordination spheres based on pyrazine-2,3,5,6-tetracarboxylate","CrystEngComm","2015","17","29","5377","","10.1039/C4CE02564D","","","0.71073","MoKα","","0.2457","0.1347","","","0.2557","0.2983","","","","","","0.971","","","","has coordinates","153122","2020-10-21","18:00:00",""
"7220546","10.651","0.001","10.802","0.001","12.528","0.001","97.671","0.004","92.238","0.004","110.803","0.003","1329.5","0.2","133","2","133","2","","","","","","","","5","P -1","-P 1","2","[FeL5i(azpy)]","","","- C28 H26 Fe N6 O6 -","- C28 H26 Fe N6 O6 -","- C56 H52 Fe2 N12 O12 -","2","1","","Schönfeld, Sophie; Lochenie, Charles; Thoma, Peter; Weber, Birgit","1D iron(ii) spin crossover coordination polymers with 3,3′-azopyridine ‒ kinetic trapping effects and spin transition above room temperature","CrystEngComm","2015","17","29","5389","","10.1039/C5CE00800J","","","0.71069","MoKα","","0.0557","0.0356","","","0.0754","0.0801","","","","","","0.923","","","","has coordinates","153120","2020-10-21","18:00:00",""
"7220547","17.134","0.002","16.762","0.002","21.725","0.004","90","","90.206","0.015","90","","6239.4","1.6","133","2","133","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[FeL5b(azpy)].0,5azpy","","","- C33 H30 Fe N8 O4 -","- C33 H30 Fe N8 O4 -","- C264 H240 Fe8 N64 O32 -","8","1","","Schönfeld, Sophie; Lochenie, Charles; Thoma, Peter; Weber, Birgit","1D iron(ii) spin crossover coordination polymers with 3,3′-azopyridine ‒ kinetic trapping effects and spin transition above room temperature","CrystEngComm","2015","17","29","5389","","10.1039/C5CE00800J","","","0.71069","MoKα","","0.0815","0.0485","","","0.1019","0.111","","","","","","0.922","","","","has coordinates","153120","2020-10-21","18:00:00",""
"7220551","17.679","0.005","27.134","0.007","6.9113","0.0018","90","","94.222","0.008","90","","3306.4","1.5","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C24 H44 Cd N4 O16 -","- C24 H43 Cd N4 O16 -","- C96 H172 Cd4 N16 O64 -","4","0.5","","Maity, Kartik; Kundu, Tanay; Banerjee, Rahul; Biradha, Kumar","One-dimensional water cages with repeat units of (H2O)24resembling pagodane trapped in a 3D coordination polymer: proton conduction and tunable luminescence emission by adsorption of anionic dyes","CrystEngComm","2015","17","24","4439","","10.1039/C5CE00969C","","","0.71073","MoKα","","0.0516","0.043","","","0.1306","0.1455","","","","","","0.916","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220552","10.149","0.0005","10.2936","0.0005","13.6107","0.0007","104.922","0.004","109.154","0.005","95.153","0.004","1274.01","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H56 Cd2 N8 O14 -","- C50 H48 Cd2 N8 O14 -","- C50 H48 Cd2 N8 O14 -","1","0.5","","Maity, Kartik; Kundu, Tanay; Banerjee, Rahul; Biradha, Kumar","One-dimensional water cages with repeat units of (H2O)24resembling pagodane trapped in a 3D coordination polymer: proton conduction and tunable luminescence emission by adsorption of anionic dyes","CrystEngComm","2015","17","24","4439","","10.1039/C5CE00969C","","","0.71073","MoKα","","0.0411","0.0373","","","0.0785","0.0801","","","","","","1.45","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220553","14.9067","0.0004","9.467","0.0003","18.6466","0.0005","90","","108.471","0.002","90","","2495.88","0.13","180","","180","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H33 Cl N2 O3 -","- C27 H33 Cl N2 O3 -","- C108 H132 Cl4 N8 O12 -","4","1","","Sládková, V.; Skalická, T.; Skořepová, E.; Čejka, J.; Eigner, V.; Kratochvíl, B.","Systematic solvate screening of trospium chloride: discovering hydrates of a long-established pharmaceutical","CrystEngComm","2015","17","25","4712","","10.1039/C5CE00744E","","x-ray","1.5418","CuKα","","0.0559","0.0454","","","0.119","0.1249","","","","2","2","1.86","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220554","9.9394","0.0006","9.3964","0.0008","28.5819","0.0017","90","","98.318","0.005","90","","2641.3","0.3","180","","180","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H38 Cl N O4 -","- C28 H38 Cl N O4 -","- C112 H152 Cl4 N4 O16 -","4","1","","Sládková, V.; Skalická, T.; Skořepová, E.; Čejka, J.; Eigner, V.; Kratochvíl, B.","Systematic solvate screening of trospium chloride: discovering hydrates of a long-established pharmaceutical","CrystEngComm","2015","17","25","4712","","10.1039/C5CE00744E","","x-ray","1.5418","CuKα","","0.0578","0.0447","","","0.1158","0.1246","","","","1.62","1.62","1.53","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7220555","13.654","0.002","9.739","0.0014","18.621","0.002","90","","106.609","0.012","90","","2372.8","0.6","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H34 Cl N O4 -","- C26 H34 Cl N O4 -","- C104 H136 Cl4 N4 O16 -","4","1","","Sládková, V.; Skalická, T.; Skořepová, E.; Čejka, J.; Eigner, V.; Kratochvíl, B.","Systematic solvate screening of trospium chloride: discovering hydrates of a long-established pharmaceutical","CrystEngComm","2015","17","25","4712","","10.1039/C5CE00744E","","x-ray","1.54184","CuKα","","0.0553","0.0467","","","0.12","0.1259","","","","1.91","1.91","1.8","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7220556","9.9289","0.0003","9.429","0.0003","26.8357","0.001","90","","97.556","0.003","90","","2490.53","0.14","180","","180","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H33 Cl N2 O5 -","- C26 H33 Cl N2 O5 -","- C104 H132 Cl4 N8 O20 -","4","1","","Sládková, V.; Skalická, T.; Skořepová, E.; Čejka, J.; Eigner, V.; Kratochvíl, B.","Systematic solvate screening of trospium chloride: discovering hydrates of a long-established pharmaceutical","CrystEngComm","2015","17","25","4712","","10.1039/C5CE00744E","","x-ray","1.54184","CuKα","","0.0587","0.0506","","","0.1305","0.1368","","","","1.93","1.93","1.82","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220557","15.1562","0.0007","9.536","0.0003","18.8677","0.0008","90","","109.782","0.004","90","","2566.02","0.19","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H35 Cl N2 O3 -","- C28 H35 Cl N2 O3 -","- C112 H140 Cl4 N8 O12 -","4","1","","Sládková, V.; Skalická, T.; Skořepová, E.; Čejka, J.; Eigner, V.; Kratochvíl, B.","Systematic solvate screening of trospium chloride: discovering hydrates of a long-established pharmaceutical","CrystEngComm","2015","17","25","4712","","10.1039/C5CE00744E","","x-ray","1.5418","CuKα","","0.0488","0.0416","","","0.1108","0.1158","","","","1.92","1.92","1.83","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7220558","39.7859","0.0005","6.9575","0.0001","17.1898","0.0004","90","","100.099","0.0014","90","","4684.6","0.14","180","","180","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H33 Cl N O4.5 -","- C25 H33 Cl N O4.5 -","- C200 H264 Cl8 N8 O36 -","8","2","","Sládková, V.; Skalická, T.; Skořepová, E.; Čejka, J.; Eigner, V.; Kratochvíl, B.","Systematic solvate screening of trospium chloride: discovering hydrates of a long-established pharmaceutical","CrystEngComm","2015","17","25","4712","","10.1039/C5CE00744E","","x-ray","1.5418","CuKα","","0.0511","0.0457","","","0.1199","0.1254","","","","1.97","1.97","1.91","","","","has coordinates","193656","2020-10-21","18:00:00",""
"7220559","19.1988","0.0007","13.1107","0.0003","9.5387","0.0003","90","","98.175","0.003","90","","2376.59","0.13","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H34 Cl N O5 -","- C25 H34 Cl N O5 -","- C100 H136 Cl4 N4 O20 -","4","1","","Sládková, V.; Skalická, T.; Skořepová, E.; Čejka, J.; Eigner, V.; Kratochvíl, B.","Systematic solvate screening of trospium chloride: discovering hydrates of a long-established pharmaceutical","CrystEngComm","2015","17","25","4712","","10.1039/C5CE00744E","","x-ray","1.54184","CuKα","","0.0409","0.0362","","","0.0958","0.0988","","","","1.62","1.62","1.56","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220560","14.2221","0.0011","5.7852","0.0005","7.3262","0.0006","90","","114.168","0.002","90","","549.95","0.08","293","2","293","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Mo O5 Pb2 -","- Mo O5 Pb2 -","- Mo4 O20 Pb8 -","4","0.5","","Atuchin, V. V.; Ivannikova, N. V.; Komonov, A. I.; Kuratieva, N. V.; Loshkarev, I. D.; Pervukhina, N. V.; Pokrovsky, L. D.; Shlegel, V. N.","The low thermal gradient Czochralski crystal growth and microstructural properties of a Pb2MoO5(20−1) cleaved surface","CrystEngComm","2015","17","24","4512","","10.1039/C5CE00309A","","","0.71073","MoKα","","0.0358","0.0336","","","0.0834","0.0851","","","","","","1.036","","","","has coordinates","143398","2020-10-21","18:00:00",""
"7220561","4.8695","0.0004","5.7118","0.0003","5.4416","0.0004","90","","117.468","0.006","90","","134.289","0.018","298","","298","","4.275","0.015","","","","","","4","P 1 n 1","P -2yac","7","","epsilon glycine-d5","","- C2 D5 N O2 -","- C2 D5 N O2 -","- C4 D10 N2 O4 -","2","1","","Moggach, Stephen A.; Marshall, William G.; Rogers, David M.; Parsons, Simon","How focussing on hydrogen bonding interactions in amino acids can miss the bigger picture: a high-pressure neutron powder diffraction study of ε-glycine","CrystEngComm","2015","17","28","5315","","10.1039/C5CE00327J","powder diffraction","","","Neutron","","","","","","","","","","1.409","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220562","5.0092","0.0006","5.9924","0.0006","5.4976","0.0005","90","","115.298","0.01","90","","149.2","0.03","298","","298","","0.547","0.016","","","","","","4","P 1 n 1","P -2yac","7","","epsilon glycine-d5","","- C2 D5 N O2 -","- C2 D5 N O2 -","- C4 D10 N2 O4 -","2","1","","Moggach, Stephen A.; Marshall, William G.; Rogers, David M.; Parsons, Simon","How focussing on hydrogen bonding interactions in amino acids can miss the bigger picture: a high-pressure neutron powder diffraction study of ε-glycine","CrystEngComm","2015","17","28","5315","","10.1039/C5CE00327J","powder diffraction","","","Neutron","","","","","","","","","","1.106","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220563","8.7022","0.0003","8.952","0.0003","12.6698","0.0006","106.807","0.004","90.983","0.003","110.054","0.002","880.1","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H25 Cu5 O33 -","- C16 H25 Cu5 O33 -","- C16 H25 Cu5 O33 -","1","0.5","","Díaz-Gallifa, P.; Fabelo, O.; Pasán, J.; Cañadillas-Delgado, L.; Ramírez, M. A.; Gallardo, A. G.; Ruiz-Pérez, C.","Synthesis and structural characterization of six Cu(ii)-based coordination polymers using the thermally tunable 1,2,3,4-cyclobutanetetracarboxylic acid","CrystEngComm","2015","17","27","5081","","10.1039/C5CE00326A","","","0.71073","MoKα","","0.047","0.0342","","","0.0812","0.0871","","","","","","1.049","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220564","6.234","0.0012","11.118","0.002","11.948","0.002","86.78","0.03","79.95","0.03","83.01","0.03","808.8","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H10 Cu2 O15 -","- C8 H10 Cu2 O15 -","- C16 H20 Cu4 O30 -","2","1","","Díaz-Gallifa, P.; Fabelo, O.; Pasán, J.; Cañadillas-Delgado, L.; Ramírez, M. A.; Gallardo, A. G.; Ruiz-Pérez, C.","Synthesis and structural characterization of six Cu(ii)-based coordination polymers using the thermally tunable 1,2,3,4-cyclobutanetetracarboxylic acid","CrystEngComm","2015","17","27","5081","","10.1039/C5CE00326A","","","0.7383","","","0.0719","0.0615","","","0.1767","0.1912","","","","","","1.063","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220565","7.9815","0.0005","14.4504","0.0006","10.2757","0.0006","90","","90","","90","","1185.16","0.11","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C4 H2 Cu O6 -","- C4 H2 Cu O6 -","- C32 H16 Cu8 O48 -","8","1","","Díaz-Gallifa, P.; Fabelo, O.; Pasán, J.; Cañadillas-Delgado, L.; Ramírez, M. A.; Gallardo, A. G.; Ruiz-Pérez, C.","Synthesis and structural characterization of six Cu(ii)-based coordination polymers using the thermally tunable 1,2,3,4-cyclobutanetetracarboxylic acid","CrystEngComm","2015","17","27","5081","","10.1039/C5CE00326A","","","1.54184","CuKα","","0.0692","0.0571","","","0.145","0.1578","","","","","","1.052","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220566","18.6107","0.0005","18.6107","0.0005","4.8022","0.0003","90","","90","","90","","1663.28","0.12","150","2","150","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C8 H20 Cu2 O16 -","- C8 H20 Cu2 O16 -","- C32 H80 Cu8 O64 -","4","0.25","","Díaz-Gallifa, P.; Fabelo, O.; Pasán, J.; Cañadillas-Delgado, L.; Ramírez, M. A.; Gallardo, A. G.; Ruiz-Pérez, C.","Synthesis and structural characterization of six Cu(ii)-based coordination polymers using the thermally tunable 1,2,3,4-cyclobutanetetracarboxylic acid","CrystEngComm","2015","17","27","5081","","10.1039/C5CE00326A","","","1.5418","CuKα","","0.0314","0.0299","","","0.0788","0.0805","","","","","","1.083","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220567","8.0007","0.0008","11.0476","0.0009","14.0408","0.0011","110.768","0.008","96.37","0.008","97.671","0.007","1133.12","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H8 Cu4 O21 -","- C16 H8 Cu4 O21 -","- C32 H16 Cu8 O42 -","2","1","","Díaz-Gallifa, P.; Fabelo, O.; Pasán, J.; Cañadillas-Delgado, L.; Ramírez, M. A.; Gallardo, A. G.; Ruiz-Pérez, C.","Synthesis and structural characterization of six Cu(ii)-based coordination polymers using the thermally tunable 1,2,3,4-cyclobutanetetracarboxylic acid","CrystEngComm","2015","17","27","5081","","10.1039/C5CE00326A","","","1.5418","CuKα","","0.0614","0.0498","","","0.1359","0.149","","","","","","1.046","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220568","25.786","0.005","21.045","0.004","7.4123","0.0015","90","","90","","90","","4022.4","1.4","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C28.5 H25.5 Cd2 Cl N9.5 O8.5 -","- C27 H18 Cd2 Cl N9 O6 -","- C108 H72 Cd8 Cl4 N36 O24 -","4","0.5","","Zhu, Ai-Xin; Qiu, Zhen-Zhe; Yang, Li-Bo; Fang, Xiao-Dan; Chen, Si-Jin; Xu, Quan-Qing; Li, Qiu-Xia","A luminescent cadmium(ii) metal‒organic framework based on a triazolate‒carboxylate ligand exhibiting selective gas adsorption and guest-dependent photoluminescence properties","CrystEngComm","2015","17","26","4787","","10.1039/C5CE00405E","","","0.71073","MoKα","","0.0643","0.0523","","","0.1243","0.1287","","","","","","1.123","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220594","16.269","0.002","20.73","0.003","14.9828","0.0019","90","","90","","90","","5053","1.2","150","2","150","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C17 H11 Cu N3 O5 -","- C17 H11 Cu N3 O5 -","- C136 H88 Cu8 N24 O40 -","8","1","","Liu, Huiyan; Wang, Qian; Zhang, Mingxing; Jiang, Jingjing","A (3,6)-connected metal‒organic framework with high CH4binding affinity and uptake capacity","CrystEngComm","2015","17","26","4793","","10.1039/C5CE00612K","","","0.71073","MoKα","","0.0738","0.0471","","","0.112","0.1189","","","","","","1.031","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220595","16.337","0.003","11.925","0.002","14.007","0.003","90","","100.84","0.03","90","","2680.1","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H8 N6 O9 S Zn -","- C6 H8 N6 O9 S Zn -","- C48 H64 N48 O72 S8 Zn8 -","8","1","","Liu, Kang; Ma, Benhua; Guo, Xiaolei; Ma, Dingxuan; Meng, Lingkun; Zeng, Guang; Yang, Fen; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Syntheses, structures, luminescence and magnetic properties of eleven coordination polymers constructed by a N,N′-sulfuryldiimidazole ligand","CrystEngComm","2015","17","27","5054","","10.1039/C5CE00807G","","","0.71073","MoKα","","0.0489","0.0376","","","0.0782","0.083","","","","","","1.071","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220596","6.6953","0.0013","8.7758","0.0018","10.028","0.002","64.41","0.03","76.36","0.03","82.37","0.03","516.1","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H6 N5 O5 S Zn0.5 -","- C6 H6 N5 O5 S Zn0.5 -","- C12 H12 N10 O10 S2 Zn -","2","1","","Liu, Kang; Ma, Benhua; Guo, Xiaolei; Ma, Dingxuan; Meng, Lingkun; Zeng, Guang; Yang, Fen; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Syntheses, structures, luminescence and magnetic properties of eleven coordination polymers constructed by a N,N′-sulfuryldiimidazole ligand","CrystEngComm","2015","17","27","5054","","10.1039/C5CE00807G","","","0.71073","MoKα","","0.0221","0.0217","","","0.056","0.0564","","","","","","1.059","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220597","6.7656","0.0006","8.7886","0.0007","10.0635","0.0008","64.603","0.005","76.394","0.005","82.581","0.005","525.11","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H6 Co0.5 N5 O5 S -","- C6 H6 Co0.5 N5 O5 S -","- C12 H12 Co N10 O10 S2 -","2","1","","Liu, Kang; Ma, Benhua; Guo, Xiaolei; Ma, Dingxuan; Meng, Lingkun; Zeng, Guang; Yang, Fen; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Syntheses, structures, luminescence and magnetic properties of eleven coordination polymers constructed by a N,N′-sulfuryldiimidazole ligand","CrystEngComm","2015","17","27","5054","","10.1039/C5CE00807G","","","0.71073","MoKα","","0.0528","0.0338","","","0.0642","0.0701","","","","","","0.937","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220598","13.8786","0.0008","13.6808","0.0006","16.6792","0.0011","90","","112.229","0.003","90","","2931.5","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C9 H12 Cu0.5 N5 O6 S -","- C9 H12 Cu0.5 N5 O6 S -","- C72 H96 Cu4 N40 O48 S8 -","8","1","","Liu, Kang; Ma, Benhua; Guo, Xiaolei; Ma, Dingxuan; Meng, Lingkun; Zeng, Guang; Yang, Fen; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Syntheses, structures, luminescence and magnetic properties of eleven coordination polymers constructed by a N,N′-sulfuryldiimidazole ligand","CrystEngComm","2015","17","27","5054","","10.1039/C5CE00807G","","","0.71073","MoKα","","0.0456","0.0385","","","0.0992","0.1066","","","","","","1.067","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220599","10.269","0.002","15.04","0.003","15.004","0.003","90","","100.71","0.03","90","","2276.9","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H8 Mn0.5 N5 O6 S -","- C6 H8 Mn0.5 N5 O6 S -","- C48 H64 Mn4 N40 O48 S8 -","8","1","","Liu, Kang; Ma, Benhua; Guo, Xiaolei; Ma, Dingxuan; Meng, Lingkun; Zeng, Guang; Yang, Fen; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Syntheses, structures, luminescence and magnetic properties of eleven coordination polymers constructed by a N,N′-sulfuryldiimidazole ligand","CrystEngComm","2015","17","27","5054","","10.1039/C5CE00807G","","","0.71073","MoKα","","0.063","0.0597","","","0.1867","0.1906","","","","","","1.09","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220600","10.184","0.002","16.442","0.003","14.923","0.003","90","","99.55","0.03","90","","2464.2","0.9","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C6 H8 Cl Co0.5 N4 O7 S -","- C6 H8 Cl Co0.5 N4 O7 S -","- C48 H64 Cl8 Co4 N32 O56 S8 -","8","1","","Liu, Kang; Ma, Benhua; Guo, Xiaolei; Ma, Dingxuan; Meng, Lingkun; Zeng, Guang; Yang, Fen; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Syntheses, structures, luminescence and magnetic properties of eleven coordination polymers constructed by a N,N′-sulfuryldiimidazole ligand","CrystEngComm","2015","17","27","5054","","10.1039/C5CE00807G","","","0.71073","MoKα","","0.086","0.0537","","","0.1016","0.1122","","","","","","1.036","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220601","9.6762","0.0005","23.2403","0.0015","16.8723","0.0011","90","","101.63","0.004","90","","3716.3","0.4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C11 H13 Cl N4 O11 S Zn -","- C11 H13 Cl N4 O11 S Zn -","- C88 H104 Cl8 N32 O88 S8 Zn8 -","8","1","","Liu, Kang; Ma, Benhua; Guo, Xiaolei; Ma, Dingxuan; Meng, Lingkun; Zeng, Guang; Yang, Fen; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Syntheses, structures, luminescence and magnetic properties of eleven coordination polymers constructed by a N,N′-sulfuryldiimidazole ligand","CrystEngComm","2015","17","27","5054","","10.1039/C5CE00807G","","","0.71073","MoKα","","0.048","0.0322","","","0.0873","0.0964","","","","","","1.033","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220602","6.6171","0.0004","10.0019","0.0006","10.9248","0.0007","64.702","0.003","80.817","0.004","88.608","0.004","644.54","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H6 Cd N10 O2 S -","- C6 H6 Cd N10 O2 S -","- C12 H12 Cd2 N20 O4 S2 -","2","1","","Liu, Kang; Ma, Benhua; Guo, Xiaolei; Ma, Dingxuan; Meng, Lingkun; Zeng, Guang; Yang, Fen; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Syntheses, structures, luminescence and magnetic properties of eleven coordination polymers constructed by a N,N′-sulfuryldiimidazole ligand","CrystEngComm","2015","17","27","5054","","10.1039/C5CE00807G","","","0.71073","MoKα","","0.0239","0.0226","","","0.0613","0.0625","","","","","","1.093","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220603","9.3444","0.0019","17.647","0.004","7.356","0.0015","90","","90","","90","","1213","0.4","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C3 H3 Mn0.5 N5 O S0.5 -","- C3 H3 Mn0.5 N5 O S0.5 -","- C24 H24 Mn4 N40 O8 S4 -","8","1","","Liu, Kang; Ma, Benhua; Guo, Xiaolei; Ma, Dingxuan; Meng, Lingkun; Zeng, Guang; Yang, Fen; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Syntheses, structures, luminescence and magnetic properties of eleven coordination polymers constructed by a N,N′-sulfuryldiimidazole ligand","CrystEngComm","2015","17","27","5054","","10.1039/C5CE00807G","","","0.71073","MoKα","","0.026","0.023","","","0.0565","0.0576","","","","","","1.089","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220604","17.052","0.003","10.831","0.002","12.777","0.003","90","","119.06","0.03","90","","2062.7","0.9","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C6 H6 Cl0 N4 Ni0.5 O4 S1.5 -","- C6 H6 N4 Ni0.5 O4 S1.5 -","- C48 H48 N32 Ni4 O32 S12 -","8","1","","Liu, Kang; Ma, Benhua; Guo, Xiaolei; Ma, Dingxuan; Meng, Lingkun; Zeng, Guang; Yang, Fen; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Syntheses, structures, luminescence and magnetic properties of eleven coordination polymers constructed by a N,N′-sulfuryldiimidazole ligand","CrystEngComm","2015","17","27","5054","","10.1039/C5CE00807G","","","0.71073","MoKα","","0.0562","0.0389","","","0.0847","0.0904","","","","","","1.089","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220605","18.592","0.004","8.3621","0.0017","19.857","0.004","90","","100.14","0.03","90","","3038.9","1.1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H9 Cd N2 O8 S0.5 -","- C13 H9 Cd N2 O8 S0.5 -","- C104 H72 Cd8 N16 O64 S4 -","8","1","","Liu, Kang; Ma, Benhua; Guo, Xiaolei; Ma, Dingxuan; Meng, Lingkun; Zeng, Guang; Yang, Fen; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Syntheses, structures, luminescence and magnetic properties of eleven coordination polymers constructed by a N,N′-sulfuryldiimidazole ligand","CrystEngComm","2015","17","27","5054","","10.1039/C5CE00807G","","","0.71073","MoKα","","0.0543","0.039","","","0.0804","0.0858","","","","","","1.046","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220606","10.906","0.003","14.095","0.003","14.294","0.003","90","","105.16","0.012","90","","2120.8","0.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H20 Ni5 S10 -","- C10 H20 Ni5 S10 -","- C40 H80 Ni20 S40 -","4","0.5","","Tan, Chunhong; Jin, Meiliang; Zhang, Hao; Hu, Shengmin; Sheng, Tianlu; Wu, Xintao","Penta and hexanuclear nickel tiara-like clusters with two different thiolate bridges","CrystEngComm","2015","17","27","5110","","10.1039/C5CE00863H","","","0.71073","MoKα","","0.0656","0.0413","","","0.0713","0.0792","","","","","","1.032","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220607","10.7","0.008","14.844","0.01","15.567","0.01","66.82","0.06","75.32","0.06","72.64","0.06","2143","3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H132 Ni6 S12 -","- C60 H132 Ni6 S12 -","- C60 H132 Ni6 S12 -","1","0.5","","Tan, Chunhong; Jin, Meiliang; Zhang, Hao; Hu, Shengmin; Sheng, Tianlu; Wu, Xintao","Penta and hexanuclear nickel tiara-like clusters with two different thiolate bridges","CrystEngComm","2015","17","27","5110","","10.1039/C5CE00863H","","","0.71073","MoKα","","0.1673","0.0821","","","0.1361","0.164","","","","","","1.048","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220608","15.028","0.017","23.16","0.02","13.417","0.014","90","","90","","90","","4670","8","293","2","293","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C28 H60 Ni6 S12 -","- C28 H60 Ni6 S12 -","- C112 H240 Ni24 S48 -","4","0.5","","Tan, Chunhong; Jin, Meiliang; Zhang, Hao; Hu, Shengmin; Sheng, Tianlu; Wu, Xintao","Penta and hexanuclear nickel tiara-like clusters with two different thiolate bridges","CrystEngComm","2015","17","27","5110","","10.1039/C5CE00863H","","","0.71073","MoKα","","0.103","0.0754","","","0.1878","0.21","","","","","","1.064","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220609","11.621","0.002","12.8025","0.0018","14.234","0.002","90","","103.641","0.01","90","","2058","0.5","293","2","293","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C32 H36 Ni6 S12 -","- C32 H36 Ni6 S12 -","- C64 H72 Ni12 S24 -","2","0.5","","Tan, Chunhong; Jin, Meiliang; Zhang, Hao; Hu, Shengmin; Sheng, Tianlu; Wu, Xintao","Penta and hexanuclear nickel tiara-like clusters with two different thiolate bridges","CrystEngComm","2015","17","27","5110","","10.1039/C5CE00863H","","","0.71073","MoKα","","0.0816","0.0547","","","0.1374","0.1659","","","","","","1.144","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220610","11.997","0.007","14.36","0.009","26.228","0.016","90","","90","","90","","4518","5","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C36 H44 Ni6 S12 -","- C36 H44 Ni6 S12 -","- C144 H176 Ni24 S48 -","4","0.5","","Tan, Chunhong; Jin, Meiliang; Zhang, Hao; Hu, Shengmin; Sheng, Tianlu; Wu, Xintao","Penta and hexanuclear nickel tiara-like clusters with two different thiolate bridges","CrystEngComm","2015","17","27","5110","","10.1039/C5CE00863H","","","0.71073","MoKα","","0.1122","0.0697","","","0.1708","0.1998","","","","","","1.095","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220611","17.0393","0.0006","17.8176","0.0006","20.2468","0.0007","112.788","0.003","97.045","0.003","90.308","0.003","5614.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H60 N8 Nd3 O19.5 -","- C46.5 H58 N8 Nd3 O19 -","- C186 H232 N32 Nd12 O76 -","4","2","","Chen, Peng; Zhang, Meiqi; Sun, Wenbin; Li, Hongfeng; Zhao, Lang; Yan, Pengfei","Anion-dependent assembly of Dy complexes: structures and magnetic behaviors","CrystEngComm","2015","17","27","5066","","10.1039/C5CE00925A","","","0.71073","MoKα","","0.1129","0.0875","","","0.2228","0.2401","","","","","","1.028","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220612","16.8042","0.0007","17.6752","0.0006","19.4071","0.0011","69.39","0.004","82.993","0.004","89.895","0.003","5349.8","0.4","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C46.5 H57 N8 O18.5 Tb3 -","- C44 H47 N8 O16 Tb3 -","- C176 H188 N32 O64 Tb12 -","4","2","","Chen, Peng; Zhang, Meiqi; Sun, Wenbin; Li, Hongfeng; Zhao, Lang; Yan, Pengfei","Anion-dependent assembly of Dy complexes: structures and magnetic behaviors","CrystEngComm","2015","17","27","5066","","10.1039/C5CE00925A","","","0.71073","MoKα","","0.1396","0.0884","","","0.2148","0.2518","","","","","","1.089","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220613","16.7829","0.0007","17.6513","0.0006","19.3643","0.0011","69.388","0.004","83.013","0.004","89.894","0.003","5324.2","0.4","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C46.5 H57 Dy3 N8 O18.5 -","- C44 H47 Dy3 N8 O16 -","- C176 H188 Dy12 N32 O64 -","4","2","","Chen, Peng; Zhang, Meiqi; Sun, Wenbin; Li, Hongfeng; Zhao, Lang; Yan, Pengfei","Anion-dependent assembly of Dy complexes: structures and magnetic behaviors","CrystEngComm","2015","17","27","5066","","10.1039/C5CE00925A","","","0.71073","MoKα","","0.1218","0.0772","","","0.195","0.2272","","","","","","0.99","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220614","9.4831","0.0004","10.3029","0.0004","12.9928","0.0005","86.142","0.003","87.7","0.003","76.628","0.003","1231.83","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H23 N6 Nd O9 S -","- C18 H23 N6 Nd O9 S -","- C36 H46 N12 Nd2 O18 S2 -","2","1","","Chen, Peng; Zhang, Meiqi; Sun, Wenbin; Li, Hongfeng; Zhao, Lang; Yan, Pengfei","Anion-dependent assembly of Dy complexes: structures and magnetic behaviors","CrystEngComm","2015","17","27","5066","","10.1039/C5CE00925A","","","0.71073","MoKα","","0.0285","0.0238","","","0.0523","0.0551","","","","","","1.053","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220615","9.4373","0.0005","10.2862","0.0006","12.9039","0.0006","85.73","0.004","88.061","0.004","76.723","0.005","1215.59","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H23 N6 O9 S Tb -","- C18 H23 N6 O9 S Tb -","- C36 H46 N12 O18 S2 Tb2 -","2","1","","Chen, Peng; Zhang, Meiqi; Sun, Wenbin; Li, Hongfeng; Zhao, Lang; Yan, Pengfei","Anion-dependent assembly of Dy complexes: structures and magnetic behaviors","CrystEngComm","2015","17","27","5066","","10.1039/C5CE00925A","","","0.71073","MoKα","","0.0345","0.0281","","","0.0542","0.0572","","","","","","1.039","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220616","9.421","0.002","10.2707","0.0017","12.909","0.002","85.595","0.014","87.715","0.016","76.894","0.016","1212.6","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H23 Dy N6 O9 S -","- C18 H23 Dy N6 O9 S -","- C36 H46 Dy2 N12 O18 S2 -","2","1","","Chen, Peng; Zhang, Meiqi; Sun, Wenbin; Li, Hongfeng; Zhao, Lang; Yan, Pengfei","Anion-dependent assembly of Dy complexes: structures and magnetic behaviors","CrystEngComm","2015","17","27","5066","","10.1039/C5CE00925A","","","0.71073","MoKα","","0.0386","0.035","","","0.0868","0.0901","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220617","9.3532","0.0007","10.1772","0.0004","12.8201","0.0005","85.678","0.003","87.922","0.004","76.71","0.005","1184.05","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H23 Er N6 O9 S -","- C18 H23 Er N6 O9 S -","- C36 H46 Er2 N12 O18 S2 -","2","1","","Chen, Peng; Zhang, Meiqi; Sun, Wenbin; Li, Hongfeng; Zhao, Lang; Yan, Pengfei","Anion-dependent assembly of Dy complexes: structures and magnetic behaviors","CrystEngComm","2015","17","27","5066","","10.1039/C5CE00925A","","","0.71073","MoKα","","0.0265","0.0239","","","0.0541","0.0556","","","","","","1.055","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220618","18.114","0.0003","15.7015","0.0002","22.3234","0.0003","90","","97.683","0.002","90","","6292.16","0.16","293","2","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30.5 H28 Cl Dy N8 O6.5 -","- C30.5 H28 Cl Dy N8 O6.5 -","- C244 H224 Cl8 Dy8 N64 O52 -","8","2","","Chen, Peng; Zhang, Meiqi; Sun, Wenbin; Li, Hongfeng; Zhao, Lang; Yan, Pengfei","Anion-dependent assembly of Dy complexes: structures and magnetic behaviors","CrystEngComm","2015","17","27","5066","","10.1039/C5CE00925A","","","0.71073","MoKα","","0.0553","0.037","","","0.0744","0.0826","","","","","","1.029","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220620","29.139","0.018","8.292","0.006","22.798","0.015","90","","94.97","0.011","90","","5488","6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H23 N3 O7 Zn -","- C28 H23 N3 O7 Zn -","- C224 H184 N24 O56 Zn8 -","8","1","","Zhao, Lun; Guo, Huadong; Tang, Dong; Zhang, Min","Syntheses, characterization and properties of nine novel Zn(ii) coordination polymers based on 4,4′-(phenylazanediyl)dibenzoic acid and various N-donor ligands","CrystEngComm","2015","17","29","5451","","10.1039/C5CE00710K","","","0.71073","MoKα","","0.0936","0.0527","","","0.127","0.1458","","","","","","1.049","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220621","9.3089","0.0006","50.079","0.003","14.5655","0.0009","90","","107.953","0.001","90","","6459.5","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C76 H54 N10 O9 Zn2 -","- C76 H54 N10 O9 Zn2 -","- C304 H216 N40 O36 Zn8 -","4","1","","Zhao, Lun; Guo, Huadong; Tang, Dong; Zhang, Min","Syntheses, characterization and properties of nine novel Zn(ii) coordination polymers based on 4,4′-(phenylazanediyl)dibenzoic acid and various N-donor ligands","CrystEngComm","2015","17","29","5451","","10.1039/C5CE00710K","","","0.71073","MoKα","","0.1526","0.061","","","0.1374","0.1802","","","","","","1.038","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7220622","21.485","0.005","18.709","0.004","21.225","0.004","90","","118.707","0.004","90","","7483","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C66 H54 N6 O17 Zn2 -","- C66 H54 N6 O17 Zn2 -","- C264 H216 N24 O68 Zn8 -","4","0.5","","Zhao, Lun; Guo, Huadong; Tang, Dong; Zhang, Min","Syntheses, characterization and properties of nine novel Zn(ii) coordination polymers based on 4,4′-(phenylazanediyl)dibenzoic acid and various N-donor ligands","CrystEngComm","2015","17","29","5451","","10.1039/C5CE00710K","","","0.71073","MoKα","","0.182","0.0781","","","0.2116","0.2716","","","","","","0.984","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220623","14.3887","0.0018","15.538","0.002","17.003","0.002","87.718","0.003","65.714","0.002","76.845","0.003","3367.9","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H54 N10 O12 Zn2 -","- C76 H54 N10 O12 Zn2 -","- C152 H108 N20 O24 Zn4 -","2","1","","Zhao, Lun; Guo, Huadong; Tang, Dong; Zhang, Min","Syntheses, characterization and properties of nine novel Zn(ii) coordination polymers based on 4,4′-(phenylazanediyl)dibenzoic acid and various N-donor ligands","CrystEngComm","2015","17","29","5451","","10.1039/C5CE00710K","","","0.71073","MoKα","","0.2109","0.0798","","","0.1798","0.2577","","","","","","0.964","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7220624","14.2642","0.0017","42.291","0.005","9.6129","0.0011","90","","90","","90","","5799","1.2","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C136 H98 N10 O28 Zn5 -","- C136 H98 N10 O28 Zn5 -","- C272 H196 N20 O56 Zn10 -","2","0.5","","Zhao, Lun; Guo, Huadong; Tang, Dong; Zhang, Min","Syntheses, characterization and properties of nine novel Zn(ii) coordination polymers based on 4,4′-(phenylazanediyl)dibenzoic acid and various N-donor ligands","CrystEngComm","2015","17","29","5451","","10.1039/C5CE00710K","","","0.71073","MoKα","","0.1478","0.0849","","","0.2249","0.2709","","","","","","1.017","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220625","10.6126","0.0014","13.057","0.0016","18.873","0.002","77.782","0.002","81.567","0.002","73.826","0.002","2444.1","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C92 H84 N16 O13 Zn2 -","- C92 H84 N16 O14 Zn2 -","- C92 H84 N16 O14 Zn2 -","1","0.5","","Zhao, Lun; Guo, Huadong; Tang, Dong; Zhang, Min","Syntheses, characterization and properties of nine novel Zn(ii) coordination polymers based on 4,4′-(phenylazanediyl)dibenzoic acid and various N-donor ligands","CrystEngComm","2015","17","29","5451","","10.1039/C5CE00710K","","","0.71073","MoKα","","0.137","0.0766","","","0.2134","0.2394","","","","","","1.019","","","","has coordinates,has disorder","153115","2020-10-21","18:00:00",""
"7220626","28.327","0.004","6.0289","0.0008","29.409","0.004","90","","107.892","0.003","90","","4779.6","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H42 N4 O10 Zn -","- C58 H42 N4 O10 Zn -","- C232 H168 N16 O40 Zn4 -","4","0.5","","Zhao, Lun; Guo, Huadong; Tang, Dong; Zhang, Min","Syntheses, characterization and properties of nine novel Zn(ii) coordination polymers based on 4,4′-(phenylazanediyl)dibenzoic acid and various N-donor ligands","CrystEngComm","2015","17","29","5451","","10.1039/C5CE00710K","","","0.71073","MoKα","","0.1328","0.0554","","","0.1234","0.1666","","","","","","1.003","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220627","16.668","0.006","16.256","0.006","28.596","0.01","90","","90","","90","","7748","5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H26 N5 O4 Zn -","- C30 H26 N5 O4 Zn -","- C240 H208 N40 O32 Zn8 -","8","1","","Zhao, Lun; Guo, Huadong; Tang, Dong; Zhang, Min","Syntheses, characterization and properties of nine novel Zn(ii) coordination polymers based on 4,4′-(phenylazanediyl)dibenzoic acid and various N-donor ligands","CrystEngComm","2015","17","29","5451","","10.1039/C5CE00710K","","","0.71073","MoKα","","0.17","0.0611","","","0.1328","0.1617","","","","","","0.84","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220628","14.7273","0.0016","34.677","0.004","8.2504","0.0009","90","","104.498","0.002","90","","4079.3","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H36 N7 O6 Zn -","- C44 H36 N7 O6 Zn -","- C176 H144 N28 O24 Zn4 -","4","1","","Zhao, Lun; Guo, Huadong; Tang, Dong; Zhang, Min","Syntheses, characterization and properties of nine novel Zn(ii) coordination polymers based on 4,4′-(phenylazanediyl)dibenzoic acid and various N-donor ligands","CrystEngComm","2015","17","29","5451","","10.1039/C5CE00710K","","","0.71073","MoKα","","0.165","0.1139","","","0.297","0.325","","","","","","1.119","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220629","12.671","0.0008","12.671","0.0008","13.1674","0.0009","90","","90","","90","","2114.1","0.2","","","295","","","","","","","","","7","P -4 2 c","P -4 2c","112","Ge-BEC as synthesized","","","- C22 H60.4 F0.4 Ge5.1 N6 O66 Si26.9 -","- C31.64 F0.38 Ge5.12 N6 O66.408 Si26.88 -","- C31.64 F0.38 Ge5.12 N6 O66.408 Si26.88 -","1","0.125","","Smeets, S.; Koch, L.; Mascello, N.; Sesseg, J.; McCusker, L. B.; Hernández-Rodríguez, M.; Mitchell, S.; Pérez-Ramírez, J.","Structure analysis of a BEC-type germanosilicate zeolite including the location of the flexible organic cations in the channels","CrystEngComm","2015","17","26","4865","","10.1039/C5CE00731C","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220630","10.2375","0.0009","4.5168","0.0005","14.7924","0.0013","90","","107.394","0.008","90","","652.73","0.11","150","2","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H7 N O3 -","- C7 H7 N O3 -","- C28 H28 N4 O12 -","4","1","","Harscoat-Schiavo, C.; Neurohr, C.; Lecomte, S.; Marchivie, M.; Subra-Paternault, P.","Influence of isomerism on recrystallization and cocrystallization induced by CO2as an antisolvent","CrystEngComm","2015","17","29","5410","","10.1039/C5CE00753D","","","1.54187","CuKα","","0.102","0.0699","","","0.1718","0.23","","","","","","1.016","","","","has coordinates","153118","2020-10-21","18:00:00",""
"7220631","6.5122","0.0006","27.61","0.02","14.0669","0.0013","90","","102.55","0.009","90","","2468.8","1.8","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","5,6-dimethylbenzimidazole phase alpha","5,6-dimethylbenzimidazole phase alpha","","- C9 H10 N2 -","- C9 H10 N2 -","- C108 H120 N24 -","12","3","","Zieliński, Witold; Katrusiak, Andrzej","Hydrate smaller than the anhydrate","CrystEngComm","2015","17","29","5468","","10.1039/C5CE00694E","","x-ray","0.71073","MoKα","","0.2578","0.1192","","","0.3185","0.4008","","","","","","1.187","","","","has coordinates","153119","2020-10-21","18:00:00",""
"7220632","6.4776","0.0007","27.51","0.03","14.0381","0.0015","90","","102.456","0.01","90","","2443","3","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","5,6-dimethylbenzimidazole phase alpha","5,6-dimethylbenzimidazole phase alpha","","- C9 H10 N2 -","- C9 H10 N2 -","- C108 H120 N24 -","12","3","","Zieliński, Witold; Katrusiak, Andrzej","Hydrate smaller than the anhydrate","CrystEngComm","2015","17","29","5468","","10.1039/C5CE00694E","","x-ray","0.71073","MoKα","","0.2476","0.1177","","","0.317","0.3922","","","","","","1.197","","","","has coordinates","153119","2020-10-21","18:00:00",""
"7220633","6.5011","0.001","27.23","0.02","13.949","0.002","90","","102.615","0.015","90","","2409.7","1.8","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","5,6-dimethylbenzimidazole phase beta","5,6-dimethylbenzimidazole phase beta","","- C9 H10 N2 -","- C9 H10 N2 -","- C108 H120 N24 -","12","3","","Zieliński, Witold; Katrusiak, Andrzej","Hydrate smaller than the anhydrate","CrystEngComm","2015","17","29","5468","","10.1039/C5CE00694E","","x-ray","0.71073","MoKα","","0.2814","0.1163","","","0.2809","0.3944","","","","","","1.01","","","","has coordinates","153119","2020-10-21","18:00:00",""
"7220634","6.538","0.003","26.99","0.14","13.93","0.005","90","","102.68","0.04","90","","2398","13","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","5,6-dimethylbenzimidazole phase beta","5,6-dimethylbenzimidazole phase beta","","- C9 H9.67 N2 -","- C9 H9.66667 N2 -","- C108 H116 N24 -","12","3","","Zieliński, Witold; Katrusiak, Andrzej","Hydrate smaller than the anhydrate","CrystEngComm","2015","17","29","5468","","10.1039/C5CE00694E","","x-ray","0.71073","MoKα","","0.2291","0.0883","","","0.2049","0.2909","","","","","","1.011","","","","has coordinates","153119","2020-10-21","18:00:00",""
"7220635","6.487","0.002","26.63","0.12","13.831","0.004","90","","102.5","0.03","90","","2333","11","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","5,6-dimethylbenzimidazole phase beta","5,6-dimethylbenzimidazole phase beta","","- C9 H10 N2 -","- C9 H10 N2 -","- C108 H120 N24 -","12","3","","Zieliński, Witold; Katrusiak, Andrzej","Hydrate smaller than the anhydrate","CrystEngComm","2015","17","29","5468","","10.1039/C5CE00694E","","x-ray","0.71073","MoKα","","0.1776","0.073","","","0.1559","0.2103","","","","","","1.043","","","","has coordinates","153119","2020-10-21","18:00:00",""
"7220636","7.5684","0.001","12.432","0.002","34.803","0.004","90","","90","","90","","3274.6","0.8","296","","296","","","","","","","","","4","F d d d","-F 2uv 2vw","70","","Xcalibur","","- C18 H21 N4 O -","- C18 H21 N4 O -","- C144 H168 N32 O8 -","8","","","Zieliński, Witold; Katrusiak, Andrzej","Hydrate smaller than the anhydrate","CrystEngComm","2015","17","29","5468","","10.1039/C5CE00694E","","x-ray","0.71073","MoKα","","0.1719","0.0772","","","0.1504","0.1999","","","","","","1.077","","","","has coordinates","153119","2020-10-21","18:00:00",""
"7220637","7.2661","0.0015","12.407","0.008","34.55","0.005","90","","90","","90","","3115","2","296","","296","","","","","","","","","4","F d d d","-F 2uv 2vw","70","5,6-dimethylbenzimidazole hemihydrate","5,6-dimethylbenzimidazole hemihydrate","","- C18 H21 N4 O -","- C18 H21 N4 O -","- C144 H168 N32 O8 -","8","","","Zieliński, Witold; Katrusiak, Andrzej","Hydrate smaller than the anhydrate","CrystEngComm","2015","17","29","5468","","10.1039/C5CE00694E","","x-ray","0.71073","MoKα","","0.1586","0.0848","","","0.2067","0.2753","","","","","","1.027","","","","has coordinates","153119","2020-10-21","18:00:00",""
"7220638","7.173","0.003","12.383","0.005","34.439","0.004","90","","90","","90","","3059","1.8","296","","296","","","","","","","","","4","F d d d","-F 2uv 2vw","70","5,6-dimethylbenzimidazole hemihydrate","5,6-dimethylbenzimidazole hemihydrate","","- C18 H21 N4 O -","- C18 H21 N4 O -","- C144 H168 N32 O8 -","8","","","Zieliński, Witold; Katrusiak, Andrzej","Hydrate smaller than the anhydrate","CrystEngComm","2015","17","29","5468","","10.1039/C5CE00694E","","x-ray","0.56087","AgKα","","0.2145","0.0933","","","0.2169","0.2891","","","","","","1.014","","","","has coordinates","153119","2020-10-21","18:00:00",""
"7220639","7.04","0.002","12.334","0.004","34.323","0.003","90","","90","","90","","2980.3","1.3","296","","296","","","","","","","","","4","F d d d","-F 2uv 2vw","70","5,6-dimethylbenzimidazole hemihydrate","5,6-dimethylbenzimidazole hemihydrate","","- C18 H21 N4 O -","- C18 H21 N4 O -","- C144 H168 N32 O8 -","8","","","Zieliński, Witold; Katrusiak, Andrzej","Hydrate smaller than the anhydrate","CrystEngComm","2015","17","29","5468","","10.1039/C5CE00694E","","x-ray","0.71073","MoKα","","0.129","0.0696","","","0.1817","0.2223","","","","","","1.029","","","","has coordinates","153119","2020-10-21","18:00:00",""
"7220640","6.9376","0.0016","12.228","0.003","34.174","0.002","90","","90","","90","","2899.1","1","296","","296","","","","","","","","","4","F d d d","-F 2uv 2vw","70","5,6-dimethylbenzimidazole hemihydrate","5,6-dimethylbenzimidazole hemihydrate","","- C18 H21 N4 O -","- C18 H21 N4 O -","- C144 H168 N32 O8 -","8","","","Zieliński, Witold; Katrusiak, Andrzej","Hydrate smaller than the anhydrate","CrystEngComm","2015","17","29","5468","","10.1039/C5CE00694E","","x-ray","0.71073","MoKα","","0.1104","0.0698","","","0.1839","0.2223","","","","","","1.086","","","","has coordinates","153119","2020-10-21","18:00:00",""
"7220641","12.8185","0.001","14.0656","0.0011","11.5956","0.0009","90","","112.133","0.001","90","","1936.6","0.3","173","2","173","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","1beta","1,2-bis(9-anthryl)acetylene","","- C30 H18 -","- C30 H18 -","- C120 H72 -","4","0.5","","Goldstein, Rebecca I.; Guo, Rui; Hughes, Conor; Maurer, Daniel P.; Newhouse, Timothy R.; Sisto, Thomas J.; Conry, Rebecca R.; Price, Sarah L.; Thamattoor, Dasan M.","Concomitant conformational dimorphism in 1,2-bis(9-anthryl)acetylene","CrystEngComm","2015","17","26","4877","","10.1039/C5CE00745C","","","0.71073","MoKα","","0.0611","0.0485","","","0.1391","0.153","","","","","","1.06","","","","has coordinates","143383","2020-10-21","18:00:00",""
"7220642","12.388","0.003","5.0693","0.0011","15.112","0.003","90","","94.269","0.003","90","","946.4","0.4","173","2","173","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","1aplha","1,2-bis(9-anthryl)acetylene","","- C30 H18 -","- C30 H18 -","- C60 H36 -","2","0.5","","Goldstein, Rebecca I.; Guo, Rui; Hughes, Conor; Maurer, Daniel P.; Newhouse, Timothy R.; Sisto, Thomas J.; Conry, Rebecca R.; Price, Sarah L.; Thamattoor, Dasan M.","Concomitant conformational dimorphism in 1,2-bis(9-anthryl)acetylene","CrystEngComm","2015","17","26","4877","","10.1039/C5CE00745C","","","0.71073","MoKα","","0.0825","0.053","","","0.134","0.1595","","","","","","1.013","","","","has coordinates","143383","2020-10-21","18:00:00",""
"7220659","8.2953","0.0002","10.6258","0.0005","12.4574","0.0004","83.389","0.006","81.479","0.003","84.419","0.004","1075.11","0.07","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H38 Cl2 Cu Hg3 N8 O10 -","- C34 H38 Cl2 Cu Hg3 N8 O10 -","- C34 H38 Cl2 Cu Hg3 N8 O10 -","1","0.5","","Mocanu, Teodora; Raţ, Ciprian I.; Maxim, Catalin; Shova, Sergiu; Tudor, Violeta; Silvestru, Cristian; Andruh, Marius","Bis(4-pyridyl)mercury ‒ a new linear tecton in crystal engineering: coordination polymers and co-crystallization processes","CrystEngComm","2015","17","29","5474","","10.1039/C5CE00388A","","","0.71073","MoKα","","0.0786","0.0371","","","0.0791","0.1087","","","","","","1.035","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220660","8.02","0.0005","14.212","0.0006","14.6203","0.0007","104.84","0.003","97.235","0.003","93.608","0.005","1590.12","0.15","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H60 Cl4 Cu4 Hg3 N10 O22 -","- C42 H60 Cl4 Cu4 Hg3 N10 O22 -","- C42 H60 Cl4 Cu4 Hg3 N10 O22 -","1","0.5","","Mocanu, Teodora; Raţ, Ciprian I.; Maxim, Catalin; Shova, Sergiu; Tudor, Violeta; Silvestru, Cristian; Andruh, Marius","Bis(4-pyridyl)mercury ‒ a new linear tecton in crystal engineering: coordination polymers and co-crystallization processes","CrystEngComm","2015","17","29","5474","","10.1039/C5CE00388A","","","0.71073","MoKα","","0.0977","0.0531","","","0.11","0.1341","","","","","","1.072","","","","has coordinates,has disorder","153121","2020-10-21","18:00:00",""
"7220661","10.5149","0.0011","12.0894","0.0012","29.347","0.003","90","","92.74","0.008","90","","3726.3","0.7","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 B2 Cu2 F8 Hg2 N6 O2 -","- C26 H32 Cu2 Hg2 N6 O2 -","- C104 H128 Cu8 Hg8 N24 O8 -","4","1","","Mocanu, Teodora; Raţ, Ciprian I.; Maxim, Catalin; Shova, Sergiu; Tudor, Violeta; Silvestru, Cristian; Andruh, Marius","Bis(4-pyridyl)mercury ‒ a new linear tecton in crystal engineering: coordination polymers and co-crystallization processes","CrystEngComm","2015","17","29","5474","","10.1039/C5CE00388A","","","0.71073","MoKα","","0.243","0.0564","","","0.1156","0.1723","","","","","","0.629","","","","has coordinates","153121","2020-10-21","18:00:00",""
"7220662","14.6075","0.0013","8.1508","0.0012","15.9817","0.001","90","","94.662","0.007","90","","1896.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Hg N2 O2 -","- C22 H18 Hg N2 O2 -","- C88 H72 Hg4 N8 O8 -","4","1","","Mocanu, Teodora; Raţ, Ciprian I.; Maxim, Catalin; Shova, Sergiu; Tudor, Violeta; Silvestru, Cristian; Andruh, Marius","Bis(4-pyridyl)mercury ‒ a new linear tecton in crystal engineering: coordination polymers and co-crystallization processes","CrystEngComm","2015","17","29","5474","","10.1039/C5CE00388A","","","0.71073","MoKα","","0.1268","0.0593","","","0.0889","0.1134","","","","","","0.923","","","","has coordinates","153121","2020-10-21","18:00:00",""
"7220663","19.15","0.004","10.919","0.002","14.603","0.003","90","","90","","90","","3053.5","1.1","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C16 H14 Hg N2 O3 -","- C16 H14 Hg N2 O3 -","- C128 H112 Hg8 N16 O24 -","8","2","","Mocanu, Teodora; Raţ, Ciprian I.; Maxim, Catalin; Shova, Sergiu; Tudor, Violeta; Silvestru, Cristian; Andruh, Marius","Bis(4-pyridyl)mercury ‒ a new linear tecton in crystal engineering: coordination polymers and co-crystallization processes","CrystEngComm","2015","17","29","5474","","10.1039/C5CE00388A","","","0.71073","MoKα","","0.105","0.0505","","","0.095","0.1148","","","","","","1.036","","","","has coordinates","153121","2020-10-21","18:00:00",""
"7220664","26.22","0.005","9.0815","0.0018","10.654","0.002","90","","90","","90","","2536.9","0.8","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C26 H22 Hg2 N4 O3 -","- C26 H22 Hg2 N4 O3 -","- C104 H88 Hg8 N16 O12 -","4","1","","Mocanu, Teodora; Raţ, Ciprian I.; Maxim, Catalin; Shova, Sergiu; Tudor, Violeta; Silvestru, Cristian; Andruh, Marius","Bis(4-pyridyl)mercury ‒ a new linear tecton in crystal engineering: coordination polymers and co-crystallization processes","CrystEngComm","2015","17","29","5474","","10.1039/C5CE00388A","","","0.71073","MoKα","","0.1178","0.0518","","","0.0836","0.1043","","","","","","0.867","","","","has coordinates","153121","2020-10-21","18:00:00",""
"7220675","9.6476","0.0006","10.2117","0.0007","16.4488","0.0011","107.366","0.001","95.221","0.001","99.914","0.001","1505.97","0.17","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H23 Fe2 N5 O10 -","- C33 H21 Fe2 N5 O10 -","- C66 H42 Fe4 N10 O20 -","2","1","","Fan, Liming; Fan, Weiliu; Li, Bin; Liu, Xinzheng; Zhao, Xian; Zhang, Xiutang","Structural diversity of five coordination polymers based on 2,6-bis(3,5-dicarboxyphenyl)pyridine ligand: solvothermal syntheses, structural characterizations, and magnetic properties","CrystEngComm","2015","17","25","4669","","10.1039/C5CE00522A","","","0.71073","MoKα","","0.037","0.0331","","","0.0931","0.0959","","","","","","1.043","","","","has coordinates","143388","2020-10-21","18:00:00",""
"7220676","7.6476","0.0005","12.1053","0.0007","16.8248","0.001","90","","98.488","0.002","90","","1540.52","0.16","296","2","296","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C33 H21 Cu N5 O10 -","- C33 H21 Cu N5 O10 -","- C66 H42 Cu2 N10 O20 -","2","0.5","","Fan, Liming; Fan, Weiliu; Li, Bin; Liu, Xinzheng; Zhao, Xian; Zhang, Xiutang","Structural diversity of five coordination polymers based on 2,6-bis(3,5-dicarboxyphenyl)pyridine ligand: solvothermal syntheses, structural characterizations, and magnetic properties","CrystEngComm","2015","17","25","4669","","10.1039/C5CE00522A","","","0.71073","MoKα","","0.0911","0.0645","","","0.1411","0.1531","","","","","","1.108","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220677","24.5299","0.0012","12.3443","0.0006","31.5597","0.0015","90","","100.337","0.001","90","","9401.3","0.8","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C90 H76 Co3 N18 O24 -","- C90 H64 Co3 N18 O24 -","- C360 H256 Co12 N72 O96 -","4","0.5","","Fan, Liming; Fan, Weiliu; Li, Bin; Liu, Xinzheng; Zhao, Xian; Zhang, Xiutang","Structural diversity of five coordination polymers based on 2,6-bis(3,5-dicarboxyphenyl)pyridine ligand: solvothermal syntheses, structural characterizations, and magnetic properties","CrystEngComm","2015","17","25","4669","","10.1039/C5CE00522A","","","0.71073","MoKα","","0.0682","0.0549","","","0.1671","0.1804","","","","","","1.107","","","","has coordinates","143388","2020-10-21","18:00:00",""
"7220678","10.898","0.002","12.605","0.003","28.807","0.006","90","","96.326","0.004","90","","3933.1","1.4","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H31 Co2 N9 O9 -","- C45 H31 Co2 N9 O9 -","- C180 H124 Co8 N36 O36 -","4","1","","Fan, Liming; Fan, Weiliu; Li, Bin; Liu, Xinzheng; Zhao, Xian; Zhang, Xiutang","Structural diversity of five coordination polymers based on 2,6-bis(3,5-dicarboxyphenyl)pyridine ligand: solvothermal syntheses, structural characterizations, and magnetic properties","CrystEngComm","2015","17","25","4669","","10.1039/C5CE00522A","","","0.71073","MoKα","","0.0628","0.0412","","","0.104","0.1243","","","","","","1.084","","","","has coordinates","143388","2020-10-21","18:00:00",""
"7220679","17.6549","0.0009","16.6017","0.0007","19.0614","0.0009","90","","112.771","0.002","90","","5151.5","0.4","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C57 H47 Mn2 N13 O12 -","- C57 H47 Mn2 N13 O12 -","- C228 H188 Mn8 N52 O48 -","4","0.5","","Fan, Liming; Fan, Weiliu; Li, Bin; Liu, Xinzheng; Zhao, Xian; Zhang, Xiutang","Structural diversity of five coordination polymers based on 2,6-bis(3,5-dicarboxyphenyl)pyridine ligand: solvothermal syntheses, structural characterizations, and magnetic properties","CrystEngComm","2015","17","25","4669","","10.1039/C5CE00522A","","","0.71073","MoKα","","0.0457","0.0367","","","0.0859","0.091","","","","","","1.045","","","","has coordinates","143388","2020-10-21","18:00:00",""
"7220680","8.886","0.002","18.133","0.004","13.793","0.003","90","","106.672","0.004","90","","2129","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N5 S2 Zn -","- C18 H19 N5 S2 Zn -","- C72 H76 N20 S8 Zn4 -","4","1","","Chakraborty, Prateeti; Purkait, Suranjana; Mondal, Sandip; Bauzá, Antonio; Frontera, Antonio; Massera, Chiara; Das, Debasis","Exploration of CH⋯π interactions involving the π-system of pseudohalide coligands in metal complexes of a Schiff-base ligand","CrystEngComm","2015","17","25","4680","","10.1039/C5CE00795J","","","0.71069","MoKα","","0.1072","0.0871","","","0.239","0.2597","","","","","","1.05","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220681","9.1391","0.0005","9.3535","0.0006","22.769","0.001","97.837","0.002","91.624","0.002","96.775","0.002","1912.76","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 N9 O0.5 Zn -","- C16 H19 N9 O0.5 Zn -","- C64 H76 N36 O2 Zn4 -","4","2","","Chakraborty, Prateeti; Purkait, Suranjana; Mondal, Sandip; Bauzá, Antonio; Frontera, Antonio; Massera, Chiara; Das, Debasis","Exploration of CH⋯π interactions involving the π-system of pseudohalide coligands in metal complexes of a Schiff-base ligand","CrystEngComm","2015","17","25","4680","","10.1039/C5CE00795J","","","0.71069","MoKα","","0.0493","0.0349","","","0.093","0.1004","","","","","","1.067","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7220682","10.5195","0.0006","12.7921","0.0007","13.6828","0.0008","62.887","0.002","68.064","0.002","87.976","0.003","1499.82","0.15","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H28 Cl N5 Ni O5 S -","- C29 H28 Cl N5 Ni O5 S -","- C58 H56 Cl2 N10 Ni2 O10 S2 -","2","1","","Chakraborty, Prateeti; Purkait, Suranjana; Mondal, Sandip; Bauzá, Antonio; Frontera, Antonio; Massera, Chiara; Das, Debasis","Exploration of CH⋯π interactions involving the π-system of pseudohalide coligands in metal complexes of a Schiff-base ligand","CrystEngComm","2015","17","25","4680","","10.1039/C5CE00795J","","","0.71069","MoKα","","0.0803","0.0466","","","0.1188","0.1401","","","","","","1.008","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220683","7.1589","0.0012","10.1414","0.0012","12.8984","0.0016","67.555","0.012","73.912","0.013","78.022","0.012","826.1","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H12 Cl2 Cu N2 O6 -","- C16 H12 Cl2 Cu N2 O6 -","- C32 H24 Cl4 Cu2 N4 O12 -","2","1","","Bhaumik, Prasanta Kumar; Bauzá, Antonio; Drew, Michael G. B.; Frontera, Antonio; Chattopadhyay, Shouvik","Syntheses, crystal structures and density functional theory investigations of copper(ii) complexes bearing tridentate Schiff base ligands derived from 8-aminoquinoline","CrystEngComm","2015","17","30","5664","","10.1039/C5CE00809C","","","0.71073","MoKα","","0.1121","0.089","","","0.2181","0.2511","","","","","","1.016","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220684","7.8516","0.0002","9.3769","0.0002","11.8132","0.0003","97.965","0.001","108.633","0.001","111.107","0.001","736.53","0.03","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H10 Cl Cu N5 O -","- C16 H10 Cl Cu N5 O -","- C32 H20 Cl2 Cu2 N10 O2 -","2","1","","Bhaumik, Prasanta Kumar; Bauzá, Antonio; Drew, Michael G. B.; Frontera, Antonio; Chattopadhyay, Shouvik","Syntheses, crystal structures and density functional theory investigations of copper(ii) complexes bearing tridentate Schiff base ligands derived from 8-aminoquinoline","CrystEngComm","2015","17","30","5664","","10.1039/C5CE00809C","","","0.71073","MoKα","","0.0261","0.024","","","0.0649","0.0662","","","","","","1.077","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220685","18.2712","0.0004","10.8166","0.0004","18.3726","0.0006","90","","110.64","0.002","90","","3397.96","0.19","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H17 Cl Cu N2 O3 -","- C18 H17 Cl Cu N2 O3 -","- C144 H136 Cl8 Cu8 N16 O24 -","8","1","","Bhaumik, Prasanta Kumar; Bauzá, Antonio; Drew, Michael G. B.; Frontera, Antonio; Chattopadhyay, Shouvik","Syntheses, crystal structures and density functional theory investigations of copper(ii) complexes bearing tridentate Schiff base ligands derived from 8-aminoquinoline","CrystEngComm","2015","17","30","5664","","10.1039/C5CE00809C","","","0.71073","MoKα","","0.0292","0.0252","","","0.0692","0.0719","","","","","","0.935","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220691","6.155","0.0019","7.64","0.0018","23.508","0.007","96.36","0.03","91.92","0.03","94.01","0.03","1095","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","bis(4-butyloxyacetophenon)azine","","- C24 H28 N2 O4 -","- C24 H28 N2 O4 -","- C48 H56 N4 O8 -","2","1","","Centore, Roberto; Capitolino, Valeria; Cerciello, Francesca; Tuzi, Angela; Borbone, Fabio; Carella, Antonio; Roviello, Antonio","A topotactic transition in a liquid crystal compound","CrystEngComm","2015","17","46","8864","","10.1039/C5CE00660K","","x-ray","0.71069","MoKα","","0.1056","0.0629","","","0.1608","0.1905","","","","","","1.026","","","","has coordinates,has disorder","173746","2020-10-21","18:00:00",""
"7220694","9.4289","0.0005","9.4465","0.0005","19.5338","0.001","77.352","0.003","86.44","0.003","64.489","0.002","1531.11","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H78 B2 N2 O2 -","- C78 H78 B2 N2 O2 -","- C78 H78 B2 N2 O2 -","1","0.5","","Liu, Zhaodi; Hao, Fuying; Xu, Huajie; Wang, Hui; Wu, Jieying; Tian, Yupeng","A-π-D-π-A pyridinium salts: synthesis, crystal structures, two-photon absorption properties and application to biological imaging","CrystEngComm","2015","17","29","5562","","10.1039/C5CE00816F","","","0.71073","MoKα","","0.0919","0.0832","","","0.2114","0.2159","","","","","","1.222","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220695","10.1025","0.0002","12.953","0.0003","21.3753","0.0004","104.286","0.001","99.437","0.001","102.3","0.001","2578.22","0.09","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C94 H70 Eu2 F24 N2 O18 S8 -","- C94 H70 Eu2 F24 N2 O18 S8 -","- C94 H70 Eu2 F24 N2 O18 S8 -","1","0.5","","Liu, Zhaodi; Hao, Fuying; Xu, Huajie; Wang, Hui; Wu, Jieying; Tian, Yupeng","A-π-D-π-A pyridinium salts: synthesis, crystal structures, two-photon absorption properties and application to biological imaging","CrystEngComm","2015","17","29","5562","","10.1039/C5CE00816F","","","0.71073","MoKα","","0.0703","0.0556","","","0.153","0.165","","","","","","1.041","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220696","8.6147","0.0006","16.5484","0.0012","9.3691","0.0007","90","","93.617","0.001","90","","1332.99","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Cd N12 O8 -","- C22 H22 Cd N12 O8 -","- C44 H44 Cd2 N24 O16 -","2","0.5","","Tripathi, Sarita; Srirambalaji, Renganathan; Patra, Samir; Anantharaman, Ganapathi","Anion triggered and solvent assisted structural diversity and reversible single-crystal-to-single-crystal (SCSC) transformation between 1D and 2D coordination polymers","CrystEngComm","2015","17","46","8876","","10.1039/C5CE00690B","","","0.71073","MoKα","","0.0573","0.041","","","0.1037","0.1604","","","","","","1.188","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220697","11.5527","0.0012","26.816","0.003","15.4979","0.0016","90","","109.134","0.002","90","","4536","0.8","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Cd pyim2 PF6","","","- C34 H46 Cd F12 N14 O4 P2 -","- C34 H46 Cd F12 N14 O4 P2 -","- C136 H184 Cd4 F48 N56 O16 P8 -","4","1","","Tripathi, Sarita; Srirambalaji, Renganathan; Patra, Samir; Anantharaman, Ganapathi","Anion triggered and solvent assisted structural diversity and reversible single-crystal-to-single-crystal (SCSC) transformation between 1D and 2D coordination polymers","CrystEngComm","2015","17","46","8876","","10.1039/C5CE00690B","","","0.71073","MoKα","","0.0735","0.0513","","","0.121","0.158","","","","","","1.1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220698","9.979","0.005","10.302","0.005","15.743","0.005","80.924","0.005","73.374","0.005","65.235","0.005","1406.8","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Zn-pyim2 td","","","- C22 H18 F12 N10 P2 Zn -","- C22 H18 F12 N10 P2 Zn -","- C44 H36 F24 N20 P4 Zn2 -","2","1","","Tripathi, Sarita; Srirambalaji, Renganathan; Patra, Samir; Anantharaman, Ganapathi","Anion triggered and solvent assisted structural diversity and reversible single-crystal-to-single-crystal (SCSC) transformation between 1D and 2D coordination polymers","CrystEngComm","2015","17","46","8876","","10.1039/C5CE00690B","","","0.71069","MoKα","","0.0582","0.0423","","","0.0925","0.1368","","","","","","1.168","","","","has coordinates","173737","2020-10-21","18:00:00",""
"7220699","11.915","0.003","8.1768","0.0018","15.913","0.004","90","","106.617","0.004","90","","1485.6","0.6","100","2","100","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","Cd pyim2 PF6 NO3","","","- C22 H26 Cd F6 N11 O7 P -","- C22 H26 Cd F6 N11 O7 P -","- C44 H52 Cd2 F12 N22 O14 P2 -","2","0.5","","Tripathi, Sarita; Srirambalaji, Renganathan; Patra, Samir; Anantharaman, Ganapathi","Anion triggered and solvent assisted structural diversity and reversible single-crystal-to-single-crystal (SCSC) transformation between 1D and 2D coordination polymers","CrystEngComm","2015","17","46","8876","","10.1039/C5CE00690B","","","0.71073","MoKα","","0.0476","0.0365","","","0.0833","0.1151","","","","","","1.167","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220726","22.103","0.003","19.932","0.003","15.101","0.002","90","","130.848","0.002","90","","5032.5","1.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H48 N6 O22 S4 Zn -","- C42 H48 N6 O22 S4 Zn -","- C168 H192 N24 O88 S16 Zn4 -","4","0.5","","Zhang, Li; Zheng, Jia-Dan; Chen, Yi-Ting; Zheng, Sheng-Run; Fan, Jun; Zhang, Wei-Guang","Syntheses, structures, and properties of nine d10or p-block coordination polymers based on a ligand containing both terpyridyl and sulfo groups","CrystEngComm","2015","17","29","5538","","10.1039/C5CE00767D","","","0.71073","MoKα","","0.1685","0.089","","","0.2462","0.3006","","","","","","1.017","","","","has coordinates","187625","2020-10-21","18:00:00",""
"7220727","8.2928","0.0016","11.423","0.002","12.436","0.002","101.262","0.002","103.547","0.002","96.798","0.002","1106.5","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H17 Cd N3 O8 S2 -","- C21 H17 Cd N3 O8 S2 -","- C42 H34 Cd2 N6 O16 S4 -","2","1","","Zhang, Li; Zheng, Jia-Dan; Chen, Yi-Ting; Zheng, Sheng-Run; Fan, Jun; Zhang, Wei-Guang","Syntheses, structures, and properties of nine d10or p-block coordination polymers based on a ligand containing both terpyridyl and sulfo groups","CrystEngComm","2015","17","29","5538","","10.1039/C5CE00767D","","","0.71073","MoKα","","0.0436","0.0364","","","0.0837","0.0883","","","","","","1.067","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220728","36.038","0.012","19.963","0.007","8.853","0.003","90","","95.622","0.006","90","","6338","4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H73 Ag N3 O36 S2 -","- C21 H13 Ag N3 O9 S2 -","- C168 H104 Ag8 N24 O72 S16 -","8","1","","Zhang, Li; Zheng, Jia-Dan; Chen, Yi-Ting; Zheng, Sheng-Run; Fan, Jun; Zhang, Wei-Guang","Syntheses, structures, and properties of nine d10or p-block coordination polymers based on a ligand containing both terpyridyl and sulfo groups","CrystEngComm","2015","17","29","5538","","10.1039/C5CE00767D","","","0.71073","MoKα","","0.2738","0.1036","","","0.2613","0.3455","","","","","","1.086","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220729","7.38","0.005","20.931","0.013","16.474","0.009","90","","110.8","0.02","90","","2379","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 Ag N3 O10 S2 -","- C21 H16 Ag N3 O10 S2 -","- C84 H64 Ag4 N12 O40 S8 -","4","1","","Zhang, Li; Zheng, Jia-Dan; Chen, Yi-Ting; Zheng, Sheng-Run; Fan, Jun; Zhang, Wei-Guang","Syntheses, structures, and properties of nine d10or p-block coordination polymers based on a ligand containing both terpyridyl and sulfo groups","CrystEngComm","2015","17","29","5538","","10.1039/C5CE00767D","","","0.71073","MoKα","","0.1779","0.087","","","0.1999","0.2569","","","","","","1.018","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220730","8.538","0.003","10.962","0.005","12.083","0.005","87.664","0.007","85.159","0.008","81.961","0.008","1115.3","0.8","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H13 Ag2 N3 O6 S2 -","- C21 H13 Ag2 N3 O6 S2 -","- C42 H26 Ag4 N6 O12 S4 -","2","1","","Zhang, Li; Zheng, Jia-Dan; Chen, Yi-Ting; Zheng, Sheng-Run; Fan, Jun; Zhang, Wei-Guang","Syntheses, structures, and properties of nine d10or p-block coordination polymers based on a ligand containing both terpyridyl and sulfo groups","CrystEngComm","2015","17","29","5538","","10.1039/C5CE00767D","","","0.71073","MoKα","","0.1042","0.0638","","","0.168","0.2","","","","","","1.054","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220731","10.8904","0.0007","12.8137","0.0009","17.386","0.0011","105.159","0.001","94.273","0.001","94.113","0.001","2324.7","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H36 Ag4 N6 O17 S4 -","- C42 H36 Ag4 N6 O17 S4 -","- C84 H72 Ag8 N12 O34 S8 -","2","1","","Zhang, Li; Zheng, Jia-Dan; Chen, Yi-Ting; Zheng, Sheng-Run; Fan, Jun; Zhang, Wei-Guang","Syntheses, structures, and properties of nine d10or p-block coordination polymers based on a ligand containing both terpyridyl and sulfo groups","CrystEngComm","2015","17","29","5538","","10.1039/C5CE00767D","","","0.71073","MoKα","","0.0878","0.0595","","","0.1697","0.2007","","","","","","1.048","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220732","8.352","0.0011","11.7428","0.0016","12.3408","0.0016","100.67","0.002","101.093","0.002","97.04","0.002","1151.4","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H17 N3 O8 Pb S2 -","- C21 H17 N3 O8 Pb S2 -","- C42 H34 N6 O16 Pb2 S4 -","2","1","","Zhang, Li; Zheng, Jia-Dan; Chen, Yi-Ting; Zheng, Sheng-Run; Fan, Jun; Zhang, Wei-Guang","Syntheses, structures, and properties of nine d10or p-block coordination polymers based on a ligand containing both terpyridyl and sulfo groups","CrystEngComm","2015","17","29","5538","","10.1039/C5CE00767D","","","0.71073","MoKα","","0.0314","0.0281","","","0.0677","0.0689","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220733","13.784","0.003","14.323","0.003","13.791","0.003","90","","91.018","0.004","90","","2722.3","1","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H25 N3 O12 Pb S2 -","- C21 H25 N3 O12 Pb S2 -","- C84 H100 N12 O48 Pb4 S8 -","4","1","","Zhang, Li; Zheng, Jia-Dan; Chen, Yi-Ting; Zheng, Sheng-Run; Fan, Jun; Zhang, Wei-Guang","Syntheses, structures, and properties of nine d10or p-block coordination polymers based on a ligand containing both terpyridyl and sulfo groups","CrystEngComm","2015","17","29","5538","","10.1039/C5CE00767D","","","0.71073","MoKα","","0.109","0.0493","","","0.1019","0.1219","","","","","","1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220734","13.77","0.002","13.77","0.002","59.621","0.009","90","","90","","90","","11305","3","296","2","296","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C21 H19 K N4 O12 Pb S2 -","- C21 H13 K N4 O12 Pb S2 -","- C336 H208 K16 N64 O192 Pb16 S32 -","16","1","","Zhang, Li; Zheng, Jia-Dan; Chen, Yi-Ting; Zheng, Sheng-Run; Fan, Jun; Zhang, Wei-Guang","Syntheses, structures, and properties of nine d10or p-block coordination polymers based on a ligand containing both terpyridyl and sulfo groups","CrystEngComm","2015","17","29","5538","","10.1039/C5CE00767D","","","0.71073","MoKα","","0.1494","0.0801","","","0.2108","0.2468","","","","","","1.044","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220745","9.874","0.0001","13.6348","0.0001","19.5627","0.0002","90","","91.566","0.0005","90","","2632.74","0.04","153","","153","","","","","","","","dichloromethane","3","P 1 21/c 1","-P 2ybc","14","","octadehydrotribenzo[14]annulene","","- C34 H20 O8 -","- C34 H20 O8 -","- C136 H80 O32 -","4","1","","Hisaki, Ichiro; Kometani, Eriko; Tohnai, Norimitsu; Miyata, Mikiji","Gelation or crystallization? Subtle balance of structural factors for assembly of DBA derivatives with methyl esters","CrystEngComm","2015","17","42","8079","","10.1039/C5CE00778J","","","0.8","synchrotron","","0.049","0.0486","","","0.1341","0.1345","","","","","","1.051","","","","has coordinates","171096","2020-10-21","18:00:00",""
"7220746","21.2337","0.0004","7.9464","0.00014","25.6281","0.0005","90","","90","","90","","4324.27","0.14","153","","153","","","","","","","","ethyl acetate","3","P n a 21","P 2c -2n","33","","octadehydrotribenzo[14]annulene","","- C30 H16 O4 -","- C30 H16 O4 -","- C240 H128 O32 -","8","2","","Hisaki, Ichiro; Kometani, Eriko; Tohnai, Norimitsu; Miyata, Mikiji","Gelation or crystallization? Subtle balance of structural factors for assembly of DBA derivatives with methyl esters","CrystEngComm","2015","17","42","8079","","10.1039/C5CE00778J","","","1.54187","CuKα","","0.1475","0.0771","","","0.1756","0.2489","","","","","","1.078","","","","has coordinates","171096","2020-10-21","18:00:00",""
"7220753","13.157","0.0013","4.9083","0.0004","16.1242","0.0016","90","","113.135","0.003","90","","957.54","0.16","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H21 N O4 -","- C24 H21 N O4 -","- C48 H42 N2 O8 -","2","1","","Draper, Emily R.; Morris, Kyle L.; Little, Marc A.; Raeburn, Jaclyn; Colquhoun, Catherine; Cross, Emily R.; McDonald, Tom. O.; Serpell, Louise C.; Adams, Dave J.","Hydrogels formed from Fmoc amino acids","CrystEngComm","2015","17","42","8047","","10.1039/C5CE00801H","","x-ray","0.71073","MoKα","","0.0723","0.0455","","","0.0932","0.1027","","","","","","0.996","","","","has coordinates","171099","2020-10-21","18:00:00",""
"7220754","13.076","0.006","4.887","0.002","18.998","0.009","90","","106.417","0.011","90","","1164.5","0.9","100","2","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H29 N O6 -","- C26 H29 N O6 -","- C52 H58 N2 O12 -","2","1","","Draper, Emily R.; Morris, Kyle L.; Little, Marc A.; Raeburn, Jaclyn; Colquhoun, Catherine; Cross, Emily R.; McDonald, Tom. O.; Serpell, Louise C.; Adams, Dave J.","Hydrogels formed from Fmoc amino acids","CrystEngComm","2015","17","42","8047","","10.1039/C5CE00801H","","x-ray","0.71073","MoKα","","0.1548","0.1269","","","0.3191","0.3389","","","","","","1.141","","","","has coordinates","171099","2020-10-21","18:00:00",""
"7220755","18.64","0.016","5.992","0.005","18.841","0.015","90","","98.834","0.016","90","","2079","3","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H23 N O6 -","- C24 H23 N O6 -","- C96 H92 N4 O24 -","4","1","","Draper, Emily R.; Morris, Kyle L.; Little, Marc A.; Raeburn, Jaclyn; Colquhoun, Catherine; Cross, Emily R.; McDonald, Tom. O.; Serpell, Louise C.; Adams, Dave J.","Hydrogels formed from Fmoc amino acids","CrystEngComm","2015","17","42","8047","","10.1039/C5CE00801H","","x-ray","0.6889","","","0.0389","0.037","","","0.0886","0.0907","","","","","","1.106","","","","has coordinates","171099","2020-10-21","18:00:00",""
"7220756","11.5165","0.0009","33.108","0.003","15.349","0.0014","90","","103.074","0.006","90","","5700.7","0.9","90","","90","","","","","","","","synthesized","5","P 1 21/n 1","-P 2yn","14","","","","- C55 H35 N O5 Zn -","- C55 H35 N O5 Zn -","- C220 H140 N4 O20 Zn4 -","4","1","","Crane, Angela K.; White, Nicholas G.; MacLachlan, Mark J.","Metal organic frameworks from extended, conjugated pentiptycene-based ligands","CrystEngComm","2015","17","26","4912","","10.1039/C5CE00886G","","","1.54178","CuKα","","0.0816","0.0747","","0.1986","0.1941","0.1986","","","","","","0.9929","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220757","17.128","0.008","35.003","0.016","11.62","0.005","90","","119.498","0.006","90","","6064","5","90","","90","","","","","","","","synthesized","4","C 1 2/m 1","-C 2y","12","","","","- C26 H15 O2.5 Zn0.5 -","- C26 H15 O2.5 Zn0.5 -","- C208 H120 O20 Zn4 -","8","1","","Crane, Angela K.; White, Nicholas G.; MacLachlan, Mark J.","Metal organic frameworks from extended, conjugated pentiptycene-based ligands","CrystEngComm","2015","17","26","4912","","10.1039/C5CE00886G","","","0.71073","MoKα","","0.1135","0.0904","","0.2537","0.2208","0.2537","","","","","","0.9876","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220758","17.2471","0.0019","18.932","0.003","21.34","0.002","88.588","0.01","73.431","0.007","66.759","0.008","6106.1","1.4","90","","90","","","","","","","","synthesized","5","P -1","-P 1","2","","","","- C117 H71 N4 O12 Zn2.5 -","- C117 H71 N4 O12 Zn2.5 -","- C234 H142 N8 O24 Zn5 -","2","1","","Crane, Angela K.; White, Nicholas G.; MacLachlan, Mark J.","Metal organic frameworks from extended, conjugated pentiptycene-based ligands","CrystEngComm","2015","17","26","4912","","10.1039/C5CE00886G","","","1.54178","CuKα","","0.2095","0.1673","","0.3903","0.3658","0.3903","","","","","","0.9888","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220763","8.697","0.006","25.05","0.017","11.638","0.008","90","","104.01","0.01","90","","2460","3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H50 Cl2 Cu4 N4 O30 -","- C32 H26 Cl2 Cu4 N4 O30 -","- C64 H52 Cl4 Cu8 N8 O60 -","2","0.5","","Huang, Yong-Qing; Cheng, Hai-Di; Chen, Huai-Ying; Wan, Yi; Liu, Cheng-Long; Zhao, Yue; Xiao, Xin-Feng; Chen, Li-Hui","Structural diversity in coordination polymers with a semirigid Lewis acidity ligand: structures and properties","CrystEngComm","2015","17","30","5690","","10.1039/C5CE00677E","","","0.71073","MoKα","","0.0466","0.0378","","","0.1074","0.1118","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220764","12.0276","0.0011","5.2148","0.0004","17.8366","0.0016","90","","91.773","0.001","90","","1118.2","0.17","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[Ag2(L)(NO3)]-(H2O)","","- C8 H8 Ag2 N2 O8 -","- C8 H8 Ag2 N2 O8 -","- C32 H32 Ag8 N8 O32 -","4","1","","Huang, Yong-Qing; Cheng, Hai-Di; Chen, Huai-Ying; Wan, Yi; Liu, Cheng-Long; Zhao, Yue; Xiao, Xin-Feng; Chen, Li-Hui","Structural diversity in coordination polymers with a semirigid Lewis acidity ligand: structures and properties","CrystEngComm","2015","17","30","5690","","10.1039/C5CE00677E","","","0.71073","MoKα","","0.0404","0.0388","","","0.099","0.1005","","","","","","1.064","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220765","4.5139","0.0003","11.3181","0.0007","20.4554","0.0014","90","","90","","90","","1045.04","0.12","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H6 N2 O7 Pb -","- C8 H6 N2 O7 Pb -","- C32 H24 N8 O28 Pb4 -","4","1","","Huang, Yong-Qing; Cheng, Hai-Di; Chen, Huai-Ying; Wan, Yi; Liu, Cheng-Long; Zhao, Yue; Xiao, Xin-Feng; Chen, Li-Hui","Structural diversity in coordination polymers with a semirigid Lewis acidity ligand: structures and properties","CrystEngComm","2015","17","30","5690","","10.1039/C5CE00677E","","","0.71073","MoKα","","0.0363","0.0327","","","0.0739","0.0762","","","","","","0.953","","","","has coordinates","153103","2020-10-21","18:00:00",""
"7220766","24.044","0.003","10.7102","0.0014","16.138","0.002","90","","110.264","0.002","90","","3898.6","0.9","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H28 Br2 N4 O18 Pb3 -","- C32 H28 Br2 N4 O18 Pb3 -","- C128 H112 Br8 N16 O72 Pb12 -","4","0.5","","Huang, Yong-Qing; Cheng, Hai-Di; Chen, Huai-Ying; Wan, Yi; Liu, Cheng-Long; Zhao, Yue; Xiao, Xin-Feng; Chen, Li-Hui","Structural diversity in coordination polymers with a semirigid Lewis acidity ligand: structures and properties","CrystEngComm","2015","17","30","5690","","10.1039/C5CE00677E","","","0.71073","MoKα","","0.0735","0.0658","","","0.2075","0.2161","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220767","10.5744","0.0005","39.183","0.003","9.2768","0.0005","90","","90","","90","","3843.7","0.4","108","2","108","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C16 H16 N3 O13 Pr -","- C16 H16 N3 O13 Pr -","- C128 H128 N24 O104 Pr8 -","8","0.5","","Huang, Yong-Qing; Cheng, Hai-Di; Chen, Huai-Ying; Wan, Yi; Liu, Cheng-Long; Zhao, Yue; Xiao, Xin-Feng; Chen, Li-Hui","Structural diversity in coordination polymers with a semirigid Lewis acidity ligand: structures and properties","CrystEngComm","2015","17","30","5690","","10.1039/C5CE00677E","","","0.71073","MoKα","","0.026","0.0249","","","0.0617","0.0626","","","","","","1.095","","","","has coordinates","153103","2020-10-21","18:00:00",""
"7220795","12.7448","0.001","12.7563","0.0009","16.1414","0.0012","78.129","0.001","74.374","0.001","83.622","0.001","2468.9","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- Fe4 H80 O106 Pr2 Sb2 W18 -","- Fe4 O106 Pr2 Sb2 W18 -","- Fe4 O106 Pr2 Sb2 W18 -","1","0.5","","Chen, Lijuan; Cao, Jing; Li, Xinghua; Ma, Xing; Luo, Jie; Zhao, Junwei","The first purely inorganic polyoxotungstates constructed from dimeric tungstoantimonate-based iron‒rare-earth heterometallic fragments","CrystEngComm","2015","17","27","5002","","10.1039/C5CE00633C","","","0.71073","MoKα","","0.0613","0.0522","","","0.1337","0.1393","","","","","","1.007","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220796","12.7304","0.0005","13.0108","0.0005","15.9909","0.0006","75.315","0.001","74.399","0.001","76.075","0.001","2425.05","0.16","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- Fe4 H92 O112 Sb2 Tb2 W18 -","- Fe4 O112 Sb2 Tb2 W18 -","- Fe4 O112 Sb2 Tb2 W18 -","1","0.5","","Chen, Lijuan; Cao, Jing; Li, Xinghua; Ma, Xing; Luo, Jie; Zhao, Junwei","The first purely inorganic polyoxotungstates constructed from dimeric tungstoantimonate-based iron‒rare-earth heterometallic fragments","CrystEngComm","2015","17","27","5002","","10.1039/C5CE00633C","","","0.71073","MoKα","","0.0399","0.0365","","","0.0923","0.0942","","","","","","1.043","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220797","12.7569","0.0012","13.068","0.0012","16.02","0.0015","75.273","0.001","74.405","0.001","75.971","0.001","2444","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- Dy2 Fe4 H92 O112 Sb2 W18 -","- Dy2 Fe4 O112 Sb2 W18 -","- Dy2 Fe4 O112 Sb2 W18 -","1","0.5","","Chen, Lijuan; Cao, Jing; Li, Xinghua; Ma, Xing; Luo, Jie; Zhao, Junwei","The first purely inorganic polyoxotungstates constructed from dimeric tungstoantimonate-based iron‒rare-earth heterometallic fragments","CrystEngComm","2015","17","27","5002","","10.1039/C5CE00633C","","","0.71073","MoKα","","0.0566","0.0503","","","0.1271","0.1312","","","","","","1.013","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220798","12.7131","0.0016","12.9743","0.0017","15.96","0.002","75.09","0.002","74.312","0.002","75.818","0.002","2405.2","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- Fe4 H92 Lu2 O112 Sb2 W18 -","- Fe4 Lu2 O112 Sb2 W18 -","- Fe4 Lu2 O112 Sb2 W18 -","1","0.5","","Chen, Lijuan; Cao, Jing; Li, Xinghua; Ma, Xing; Luo, Jie; Zhao, Junwei","The first purely inorganic polyoxotungstates constructed from dimeric tungstoantimonate-based iron‒rare-earth heterometallic fragments","CrystEngComm","2015","17","27","5002","","10.1039/C5CE00633C","","","0.71073","MoKα","","0.0522","0.0432","","","0.1106","0.1157","","","","","","1.017","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220799","12.7178","0.0005","13.005","0.0005","15.9829","0.0006","75.204","0.001","74.375","0.001","75.946","0.001","2418","0.16","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- Fe4 H92 O112 Sb2 W18 Y2 -","- Fe4 O112 Sb2 W18 Y2 -","- Fe4 O112 Sb2 W18 Y2 -","1","0.5","","Chen, Lijuan; Cao, Jing; Li, Xinghua; Ma, Xing; Luo, Jie; Zhao, Junwei","The first purely inorganic polyoxotungstates constructed from dimeric tungstoantimonate-based iron‒rare-earth heterometallic fragments","CrystEngComm","2015","17","27","5002","","10.1039/C5CE00633C","","","0.71073","MoKα","","0.0599","0.0549","","","0.145","0.1493","","","","","","1.029","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220800","22.5048","0.0015","13.6765","0.0009","30.833","0.002","90","","97.187","0.001","90","","9415.4","1.1","298","2","298","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C30 H60 Cu Mo18 N12 O79 P6 Sr -","- C30 H60 Cu Mo18 N12 O79 P6 Sr -","- C120 H240 Cu4 Mo72 N48 O316 P24 Sr4 -","4","1","","Zhang, He; Lv, Jing-Hua; Yu, Kai; Wang, Chun-Mei; Wang, Chun-Xiao; Wang, Lu; Zhou, Bai-Bin","1,4-Bis(imidazole)butane ligand and strontium(ii) directed 1-D chains based on basket-type molybdophosphates and transition metal (TM) linkers","CrystEngComm","2015","17","32","6110","","10.1039/C5CE00820D","","","0.71073","MoKα","","0.0716","0.0438","","","0.0906","0.1091","","","","","","1.054","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220801","22.585","0.012","13.697","0.007","30.282","0.015","90","","97.645","0.008","90","","9284","8","298","2","298","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C30 H60 Fe Mo18 N12 O79 P6 Sr -","- C30 H60 Fe Mo18 N12 O79 P6 Sr -","- C120 H240 Fe4 Mo72 N48 O316 P24 Sr4 -","4","1","","Zhang, He; Lv, Jing-Hua; Yu, Kai; Wang, Chun-Mei; Wang, Chun-Xiao; Wang, Lu; Zhou, Bai-Bin","1,4-Bis(imidazole)butane ligand and strontium(ii) directed 1-D chains based on basket-type molybdophosphates and transition metal (TM) linkers","CrystEngComm","2015","17","32","6110","","10.1039/C5CE00820D","","","0.71","MoKα","","0.0769","0.0514","","","0.087","0.1096","","","","","","1.032","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220802","22.948","0.012","13.853","0.007","30.672","0.015","90","","97.682","0.008","90","","9663","8","298","2","298","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C30 H66 Mo18 N12 O82 P6 Sr Zn -","- C30 H66 Mo18 N12 O82 P6 Sr Zn -","- C120 H264 Mo72 N48 O328 P24 Sr4 Zn4 -","4","1","","Zhang, He; Lv, Jing-Hua; Yu, Kai; Wang, Chun-Mei; Wang, Chun-Xiao; Wang, Lu; Zhou, Bai-Bin","1,4-Bis(imidazole)butane ligand and strontium(ii) directed 1-D chains based on basket-type molybdophosphates and transition metal (TM) linkers","CrystEngComm","2015","17","32","6110","","10.1039/C5CE00820D","","","0.71073","MoKα","","0.0653","0.046","","","0.0959","0.1109","","","","","","1.044","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220803","22.648","0.007","13.534","0.004","30.225","0.009","90","","97.733","0.005","90","","9180","5","298","2","298","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C30 H66 Mo18 N12 Ni O82 P6 Sr -","- C30 H66 Mo18 N12 Ni O82 P6 Sr -","- C120 H264 Mo72 N48 Ni4 O328 P24 Sr4 -","4","1","","Zhang, He; Lv, Jing-Hua; Yu, Kai; Wang, Chun-Mei; Wang, Chun-Xiao; Wang, Lu; Zhou, Bai-Bin","1,4-Bis(imidazole)butane ligand and strontium(ii) directed 1-D chains based on basket-type molybdophosphates and transition metal (TM) linkers","CrystEngComm","2015","17","32","6110","","10.1039/C5CE00820D","","","0.71073","MoKα","","0.0652","0.0514","","","0.101","0.092","","","","","","1.039","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220804","23.293","0.016","14.056","0.01","31.34","0.02","90","","97.651","0.012","90","","10170","12","298","2","298","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C30 H62 Co Mo18 N12 O80 P6 Sr -","- C30 H62 Co Mo18 N12 O80 P6 Sr -","- C120 H248 Co4 Mo72 N48 O320 P24 Sr4 -","4","1","","Zhang, He; Lv, Jing-Hua; Yu, Kai; Wang, Chun-Mei; Wang, Chun-Xiao; Wang, Lu; Zhou, Bai-Bin","1,4-Bis(imidazole)butane ligand and strontium(ii) directed 1-D chains based on basket-type molybdophosphates and transition metal (TM) linkers","CrystEngComm","2015","17","32","6110","","10.1039/C5CE00820D","","","0.71073","MoKα","","0.051","0.0386","","","0.0898","0.0953","","","","","","1.071","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220808","7.9698","0.0004","9.7137","0.0005","10.377","0.0005","116.863","0.001","107.286","0.001","95.696","0.001","658.07","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H26 N8 O18 Tb2 -","- C18 H26 N8 O18 Tb2 -","- C18 H26 N8 O18 Tb2 -","1","0.5","","Jia, Jia; Xu, Jianing; Wang, Shengyan; Wang, Pengcheng; Gao, Lijuan; Yu, Miao; Fan, Yong; Wang, Li","Lanthanide coordination polymers constructed from 5-(1H-tetrazol-5-yl)isophthalic acid ligand: white light emission and color tuning","CrystEngComm","2015","17","31","6030","","10.1039/C5CE00823A","","","0.71073","MoKα","","0.0275","0.0259","","","0.0664","0.0674","","","","","","1.039","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220809","7.9987","0.0006","9.813","0.0006","10.4856","0.0006","116.667","0.004","107.471","0.004","95.656","0.004","674.77","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H13 N4 Nd O9 -","- C9 H13 N4 Nd O9 -","- C18 H26 N8 Nd2 O18 -","2","1","","Jia, Jia; Xu, Jianing; Wang, Shengyan; Wang, Pengcheng; Gao, Lijuan; Yu, Miao; Fan, Yong; Wang, Li","Lanthanide coordination polymers constructed from 5-(1H-tetrazol-5-yl)isophthalic acid ligand: white light emission and color tuning","CrystEngComm","2015","17","31","6030","","10.1039/C5CE00823A","","","0.71073","MoKα","","0.0282","0.0273","","","0.0701","0.0707","","","","","","1.093","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220810","7.9812","0.0003","9.7491","0.0004","10.4153","0.0004","116.803","0.001","107.37","0.001","95.67","0.001","663.93","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H26 Eu2 N8 O18 -","- C18 H26 Eu2 N8 O18 -","- C18 H26 Eu2 N8 O18 -","1","0.5","","Jia, Jia; Xu, Jianing; Wang, Shengyan; Wang, Pengcheng; Gao, Lijuan; Yu, Miao; Fan, Yong; Wang, Li","Lanthanide coordination polymers constructed from 5-(1H-tetrazol-5-yl)isophthalic acid ligand: white light emission and color tuning","CrystEngComm","2015","17","31","6030","","10.1039/C5CE00823A","","","0.71073","MoKα","","0.0225","0.021","","","0.0514","0.0519","","","","","","1.013","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220811","7.9849","0.0016","9.783","0.002","10.443","0.002","116.75","0.03","107.36","0.03","95.71","0.03","668.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H13 N4 O9 Sm -","- C9 H13 N4 O9 Sm -","- C18 H26 N8 O18 Sm2 -","2","1","","Jia, Jia; Xu, Jianing; Wang, Shengyan; Wang, Pengcheng; Gao, Lijuan; Yu, Miao; Fan, Yong; Wang, Li","Lanthanide coordination polymers constructed from 5-(1H-tetrazol-5-yl)isophthalic acid ligand: white light emission and color tuning","CrystEngComm","2015","17","31","6030","","10.1039/C5CE00823A","","","0.71073","MoKα","","0.0365","0.0341","","","0.0768","0.0774","","","","","","1.572","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220812","7.9767","0.0005","9.7325","0.0005","10.3966","0.0006","116.821","0.001","107.333","0.001","95.669","0.001","661.32","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H13 Gd N4 O9 -","- C9 H13 Gd N4 O9 -","- C18 H26 Gd2 N8 O18 -","2","1","","Jia, Jia; Xu, Jianing; Wang, Shengyan; Wang, Pengcheng; Gao, Lijuan; Yu, Miao; Fan, Yong; Wang, Li","Lanthanide coordination polymers constructed from 5-(1H-tetrazol-5-yl)isophthalic acid ligand: white light emission and color tuning","CrystEngComm","2015","17","31","6030","","10.1039/C5CE00823A","","","0.71073","MoKα","","0.0295","0.0284","","","0.0746","0.0754","","","","","","1.038","","","","has coordinates","153111","2020-10-21","18:00:00",""
"7220813","20.8197","0.0013","20.8197","0.0013","11.5581","0.0015","90","","90","","120","","4338.8","0.7","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C4 H5 Cd N9 O -","- C4 H5 Cd N9 O -","- C72 H90 Cd18 N162 O18 -","18","1","","Dong, Ruo Ting; Ma, Zhao Ying; Chen, Li Xin; Huang, Lan Fen; Li, Qian Hong; Hu, Ming Yuan; Shen, Mo Yuan; Li, Chu Wen; Deng, Hong","Zinc and cadmium metal-directed coordination polymers: in situ flexible tetrazole ligand synthesis, structures, and properties","CrystEngComm","2015","17","30","5814","","10.1039/C5CE00939A","","","0.71073","MoKα","","0.0257","0.0247","","","0.0782","0.0789","","","","","","1.165","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220814","9.8747","0.0008","6.7895","0.0006","17.9044","0.0015","90","","101.958","0.001","90","","1174.34","0.17","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H7 Cd2 N13 O -","- C6 H7 Cd2 N13 O -","- C24 H28 Cd8 N52 O4 -","4","1","","Dong, Ruo Ting; Ma, Zhao Ying; Chen, Li Xin; Huang, Lan Fen; Li, Qian Hong; Hu, Ming Yuan; Shen, Mo Yuan; Li, Chu Wen; Deng, Hong","Zinc and cadmium metal-directed coordination polymers: in situ flexible tetrazole ligand synthesis, structures, and properties","CrystEngComm","2015","17","30","5814","","10.1039/C5CE00939A","","","0.71073","MoKα","","0.063","0.0488","","","0.1028","0.1183","","","","","","1.105","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220815","30.095","0.005","30.095","0.005","6.7707","0.0011","90","","90","","120","","5310.7","1.5","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H20 N24 O7 Zn6 -","- C18 H19.98 N24 O7 Zn6 -","- C108 H119.88 N144 O42 Zn36 -","6","0.333333","","Dong, Ruo Ting; Ma, Zhao Ying; Chen, Li Xin; Huang, Lan Fen; Li, Qian Hong; Hu, Ming Yuan; Shen, Mo Yuan; Li, Chu Wen; Deng, Hong","Zinc and cadmium metal-directed coordination polymers: in situ flexible tetrazole ligand synthesis, structures, and properties","CrystEngComm","2015","17","30","5814","","10.1039/C5CE00939A","","","0.71073","MoKα","","0.0546","0.0363","","","0.0872","0.0945","","","","","","1.026","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220816","17.501","0.003","33.436","0.006","7.1042","0.0012","90","","90","","90","","4157.1","1.2","296","2","296","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C2.57 H7 Cd2 N4 O7.43 S -","- C2.57 H7 Cd2 N4 O7.43 S -","- C41.12 H112 Cd32 N64 O118.88 S16 -","16","1","","Dong, Ruo Ting; Ma, Zhao Ying; Chen, Li Xin; Huang, Lan Fen; Li, Qian Hong; Hu, Ming Yuan; Shen, Mo Yuan; Li, Chu Wen; Deng, Hong","Zinc and cadmium metal-directed coordination polymers: in situ flexible tetrazole ligand synthesis, structures, and properties","CrystEngComm","2015","17","30","5814","","10.1039/C5CE00939A","","","0.71073","MoKα","","0.0262","0.0239","","","0.0554","0.0572","","","","","","1.058","","","","has coordinates,has disorder","153096","2020-10-21","18:00:00",""
"7220817","25.319","0.005","14.309","0.003","7.0137","0.0014","90","","96.379","0.003","90","","2525.3","0.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 N10 O8 Zn3 -","- C18 H12 N10 O8 Zn3 -","- C72 H48 N40 O32 Zn12 -","4","0.5","","Dong, Ruo Ting; Ma, Zhao Ying; Chen, Li Xin; Huang, Lan Fen; Li, Qian Hong; Hu, Ming Yuan; Shen, Mo Yuan; Li, Chu Wen; Deng, Hong","Zinc and cadmium metal-directed coordination polymers: in situ flexible tetrazole ligand synthesis, structures, and properties","CrystEngComm","2015","17","30","5814","","10.1039/C5CE00939A","","","0.71073","MoKα","","0.0447","0.0326","","","0.0691","0.073","","","","","","1.045","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220818","7.3781","0.0013","13.574","0.002","13.578","0.002","113.181","0.002","103.841","0.002","90.952","0.002","1204.4","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H23.65 Cd9 N30 O21.83 -","- C18 H23.656 Cd9 N30 O21.828 -","- C18 H23.656 Cd9 N30 O21.828 -","1","0.5","","Dong, Ruo Ting; Ma, Zhao Ying; Chen, Li Xin; Huang, Lan Fen; Li, Qian Hong; Hu, Ming Yuan; Shen, Mo Yuan; Li, Chu Wen; Deng, Hong","Zinc and cadmium metal-directed coordination polymers: in situ flexible tetrazole ligand synthesis, structures, and properties","CrystEngComm","2015","17","30","5814","","10.1039/C5CE00939A","","","0.71073","MoKα","","0.0467","0.0346","","","0.0764","0.0844","","","","","","1.035","","","","has coordinates","153096","2020-10-21","18:00:00",""
"7220819","16.852","0.002","17.116","0.002","9.7103","0.0014","90","","118.683","0.002","90","","2457.1","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H9 N5 O3 Zn -","- C8 H9 N5 O3 Zn -","- C64 H72 N40 O24 Zn8 -","8","1","","Dong, Ruo Ting; Ma, Zhao Ying; Chen, Li Xin; Huang, Lan Fen; Li, Qian Hong; Hu, Ming Yuan; Shen, Mo Yuan; Li, Chu Wen; Deng, Hong","Zinc and cadmium metal-directed coordination polymers: in situ flexible tetrazole ligand synthesis, structures, and properties","CrystEngComm","2015","17","30","5814","","10.1039/C5CE00939A","","","0.71073","MoKα","","0.0506","0.0453","","","0.1552","0.1601","","","","","","1.088","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220820","15.023","0.002","10.1643","0.0013","18.196","0.003","90","","114.233","0.002","90","","2533.7","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N2 O11 Zn2 -","- C20 H22 N2 O11 Zn2 -","- C80 H88 N8 O44 Zn8 -","4","1","","Bello, Lizaira; Quintero, Marilyn; Mora, Asiloé J.; González, Teresa; Escalona, Ana; Añez, Rafael; Ávila, Edward E.; Briceño, Alexander","Study of temperature and ligand flexibility effects on coordination polymer formation from cyclobutanetetracarboxylic acid","CrystEngComm","2015","17","31","5921","","10.1039/C5CE00646E","","","0.7107","MoKα","","0.0403","0.0319","","","0.0731","0.0788","","","","","","1.048","","","","has coordinates","153110","2020-10-21","18:00:00",""
"7220821","5.8438","0.0013","12.088","0.003","15.288","0.003","90","","99.975","0.005","90","","1063.6","0.4","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C10 H10 N O5 Zn -","- C10 H10 N O5 Zn -","- C40 H40 N4 O20 Zn4 -","4","1","","Bello, Lizaira; Quintero, Marilyn; Mora, Asiloé J.; González, Teresa; Escalona, Ana; Añez, Rafael; Ávila, Edward E.; Briceño, Alexander","Study of temperature and ligand flexibility effects on coordination polymer formation from cyclobutanetetracarboxylic acid","CrystEngComm","2015","17","31","5921","","10.1039/C5CE00646E","","","0.7107","MoKα","","0.0482","0.0363","","","0.0837","0.0922","","","","","","1.103","","","","has coordinates","153110","2020-10-21","18:00:00",""
"7220822","12.956","0.002","9.8991","0.001","16.96","0.002","90","","109.75","0.002","90","","2047.2","0.4","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C16 H22 N2 Ni O8 -","- C16 H22 N2 Ni O8 -","- C64 H88 N8 Ni4 O32 -","4","1","","Bello, Lizaira; Quintero, Marilyn; Mora, Asiloé J.; González, Teresa; Escalona, Ana; Añez, Rafael; Ávila, Edward E.; Briceño, Alexander","Study of temperature and ligand flexibility effects on coordination polymer formation from cyclobutanetetracarboxylic acid","CrystEngComm","2015","17","31","5921","","10.1039/C5CE00646E","","","0.7107","MoKα","","0.0422","0.033","","","0.0812","0.0879","","","","","","1.058","","","","has coordinates","153110","2020-10-21","18:00:00",""
"7220823","8.3592","0.0007","8.5498","0.0007","11.5516","0.0009","111.219","0.002","106.893","0.001","92.67","0.002","725.67","0.1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H12 B2 Cu F8 N24 -","- C12 H12 B2 Cu F8 N24 -","- C12 H12 B2 Cu F8 N24 -","1","0.5","","Ding, Bin; Wang, You You; Liu, Shi Xin; Wu, Xiang Xia; Zhu, Zhao Zhou; Huo, Jian Zhong; Liu, Yuan Yuan","A series of multi-dimensional metal‒organic frameworks with trans-4,4′-azo-1,2,4-triazole: polymorphism, guest induced single-crystal-to-single-crystal transformation and solvatochromism","CrystEngComm","2015","17","29","5396","","10.1039/C5CE00724K","","","0.71073","MoKα","","0.0698","0.0663","","","0.1771","0.1809","","","","","","1.072","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220824","6.9597","0.0011","6.8943","0.0011","18.317","0.003","90","","96.213","0.004","90","","873.7","0.2","173","2","173","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C4 H21.5 Cu2 N8 O13.75 S -","- C4 H21.5 Cu2 N8 O13.75 S -","- C8 H43 Cu4 N16 O27.5 S2 -","2","1","","Ding, Bin; Wang, You You; Liu, Shi Xin; Wu, Xiang Xia; Zhu, Zhao Zhou; Huo, Jian Zhong; Liu, Yuan Yuan","A series of multi-dimensional metal‒organic frameworks with trans-4,4′-azo-1,2,4-triazole: polymorphism, guest induced single-crystal-to-single-crystal transformation and solvatochromism","CrystEngComm","2015","17","29","5396","","10.1039/C5CE00724K","","","0.71073","MoKα","","0.037","0.0304","","","0.0698","0.0734","","","","","","1.048","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220825","8.0475","0.0005","11.7191","0.0007","12.4796","0.0008","90","","93.93","0.001","90","","1174.18","0.13","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H10 Cl2 Fe N8 O3 -","- C4 H10 Cl2 Fe N8 O3 -","- C16 H40 Cl8 Fe4 N32 O12 -","4","1","","Ding, Bin; Wang, You You; Liu, Shi Xin; Wu, Xiang Xia; Zhu, Zhao Zhou; Huo, Jian Zhong; Liu, Yuan Yuan","A series of multi-dimensional metal‒organic frameworks with trans-4,4′-azo-1,2,4-triazole: polymorphism, guest induced single-crystal-to-single-crystal transformation and solvatochromism","CrystEngComm","2015","17","29","5396","","10.1039/C5CE00724K","","","0.71073","MoKα","","0.0233","0.0211","","","0.0473","0.0485","","","","","","1.083","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220826","6.046","0.003","6.82","0.003","9.086","0.004","83.37","0.007","81.332","0.007","68.356","0.006","343.5","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H8 Fe N10 O2 S2 -","- C6 H8 Fe N10 O2 S2 -","- C6 H8 Fe N10 O2 S2 -","1","0.5","","Ding, Bin; Wang, You You; Liu, Shi Xin; Wu, Xiang Xia; Zhu, Zhao Zhou; Huo, Jian Zhong; Liu, Yuan Yuan","A series of multi-dimensional metal‒organic frameworks with trans-4,4′-azo-1,2,4-triazole: polymorphism, guest induced single-crystal-to-single-crystal transformation and solvatochromism","CrystEngComm","2015","17","29","5396","","10.1039/C5CE00724K","","","0.71073","MoKα","","0.024","0.0236","","","0.0626","0.0632","","","","","","1.076","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220827","22.145","0.007","5.6942","0.0018","11.621","0.004","90","","98.19","0.006","90","","1450.4","0.8","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H8 Fe N10 O2 S2 -","- C6 H8 Fe N10 O2 S2 -","- C24 H32 Fe4 N40 O8 S8 -","4","0.5","","Ding, Bin; Wang, You You; Liu, Shi Xin; Wu, Xiang Xia; Zhu, Zhao Zhou; Huo, Jian Zhong; Liu, Yuan Yuan","A series of multi-dimensional metal‒organic frameworks with trans-4,4′-azo-1,2,4-triazole: polymorphism, guest induced single-crystal-to-single-crystal transformation and solvatochromism","CrystEngComm","2015","17","29","5396","","10.1039/C5CE00724K","","","0.71073","MoKα","","0.0313","0.0292","","","0.0734","0.0747","","","","","","1.005","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220828","7.3937","0.0008","8.198","0.0009","12.7674","0.0014","76.242","0.002","74.662","0.002","86.512","0.002","724.9","0.14","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H12 Br Fe0.5 N12 O3 -","- C6 H12 Br Fe0.5 N12 O3 -","- C12 H24 Br2 Fe N24 O6 -","2","1","","Ding, Bin; Wang, You You; Liu, Shi Xin; Wu, Xiang Xia; Zhu, Zhao Zhou; Huo, Jian Zhong; Liu, Yuan Yuan","A series of multi-dimensional metal‒organic frameworks with trans-4,4′-azo-1,2,4-triazole: polymorphism, guest induced single-crystal-to-single-crystal transformation and solvatochromism","CrystEngComm","2015","17","29","5396","","10.1039/C5CE00724K","","","0.71073","MoKα","","0.0389","0.0338","","","0.0867","0.0896","","","","","","1.043","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220829","12.2481","0.0013","5.6785","0.0006","17.9506","0.0018","90","","106.572","0.002","90","","1196.6","0.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H4 N10 S2 Zn -","- C6 H4 N10 S2 Zn -","- C24 H16 N40 S8 Zn4 -","4","0.5","","Ding, Bin; Wang, You You; Liu, Shi Xin; Wu, Xiang Xia; Zhu, Zhao Zhou; Huo, Jian Zhong; Liu, Yuan Yuan","A series of multi-dimensional metal‒organic frameworks with trans-4,4′-azo-1,2,4-triazole: polymorphism, guest induced single-crystal-to-single-crystal transformation and solvatochromism","CrystEngComm","2015","17","29","5396","","10.1039/C5CE00724K","","","0.71073","MoKα","","0.0208","0.0201","","","0.0503","0.0511","","","","","","1.04","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220830","7.4935","0.0006","7.8714","0.0006","12.2388","0.001","72.325","0.001","83.164","0.001","82.913","0.001","680.02","0.09","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H5 N10 O0.5 S2 Zn -","- C6 H4 N10 O0.5 S2 Zn -","- C12 H8 N20 O S4 Zn2 -","2","1","","Ding, Bin; Wang, You You; Liu, Shi Xin; Wu, Xiang Xia; Zhu, Zhao Zhou; Huo, Jian Zhong; Liu, Yuan Yuan","A series of multi-dimensional metal‒organic frameworks with trans-4,4′-azo-1,2,4-triazole: polymorphism, guest induced single-crystal-to-single-crystal transformation and solvatochromism","CrystEngComm","2015","17","29","5396","","10.1039/C5CE00724K","","","0.71073","MoKα","","0.0339","0.0304","","","0.0772","0.0791","","","","","","1.072","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220831","7.94","0.004","8.039","0.004","12.89","0.007","100.729","0.007","107.661","0.007","91.364","0.008","767.4","0.7","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H20 B2 F8 Fe N24 O4 -","- C12 H20 B2 F8 Fe N24 O4 -","- C12 H20 B2 F8 Fe N24 O4 -","1","0.5","","Ding, Bin; Wang, You You; Liu, Shi Xin; Wu, Xiang Xia; Zhu, Zhao Zhou; Huo, Jian Zhong; Liu, Yuan Yuan","A series of multi-dimensional metal‒organic frameworks with trans-4,4′-azo-1,2,4-triazole: polymorphism, guest induced single-crystal-to-single-crystal transformation and solvatochromism","CrystEngComm","2015","17","29","5396","","10.1039/C5CE00724K","","","0.71073","MoKα","","0.1114","0.0763","","","0.1919","0.2141","","","","","","1.061","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220832","8.2723","0.0012","20.345","0.003","8.6343","0.0011","90","","92.36","0.002","90","","1451.9","0.4","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 B2 Cu F8 N24 O2 -","- C12 H16 B2 Cu F8 N24 O2 -","- C24 H32 B4 Cu2 F16 N48 O4 -","2","0.5","","Ding, Bin; Wang, You You; Liu, Shi Xin; Wu, Xiang Xia; Zhu, Zhao Zhou; Huo, Jian Zhong; Liu, Yuan Yuan","A series of multi-dimensional metal‒organic frameworks with trans-4,4′-azo-1,2,4-triazole: polymorphism, guest induced single-crystal-to-single-crystal transformation and solvatochromism","CrystEngComm","2015","17","29","5396","","10.1039/C5CE00724K","","","0.71073","MoKα","","0.034","0.0304","","","0.0744","0.0764","","","","","","1.062","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220847","22.777","0.005","25.033","0.005","25.074","0.005","119.76","0.03","93.5","0.03","92.99","0.03","12332","6","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C108 H72 Cu6 O42 -","- C108 H72 Cu6 O42 -","- C216 H144 Cu12 O84 -","2","1","","Duan, Jingui; Higuchi, Masakazu; Zou, Changchang; Jin, Wanqin; Kitagawa, Susumu","Two solvent-dependent porous coordination polymers with ‒OH decorated ligands: unusual non-crystallographic net andfshtopology","CrystEngComm","2015","17","30","5609","","10.1039/C5CE00762C","","","0.71073","MoKα","","0.1253","0.0975","","","0.2626","0.2959","","","","","","1.038","","","","has coordinates","153095","2020-10-21","18:00:00",""
"7220848","12.079","0.002","12.382","0.003","12.568","0.003","99.99","0.03","96","0.03","91.29","0.03","1839.5","0.7","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H52 Cu5 N2 O24 -","- C62 H52 Cu5 N2 O24 -","- C62 H52 Cu5 N2 O24 -","1","0.5","","Duan, Jingui; Higuchi, Masakazu; Zou, Changchang; Jin, Wanqin; Kitagawa, Susumu","Two solvent-dependent porous coordination polymers with ‒OH decorated ligands: unusual non-crystallographic net andfshtopology","CrystEngComm","2015","17","30","5609","","10.1039/C5CE00762C","","","0.71073","MoKα","","0.131","0.0967","","","0.2757","0.3012","","","","","","1.055","","","","has coordinates","153095","2020-10-21","18:00:00",""
"7220862","35.022","0.003","10.764","0.001","20.158","0.002","90","","90","","90","","7599.1","1.2","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C42.5 H35 Dy N3 O11 -","- C42.5 H35 Dy N3 O11 -","- C340 H280 Dy8 N24 O88 -","8","1","","Hui, Yan-Chun; Meng, Yin-Shan; Li, Zongsheng; Chen, Qi; Sun, Hao-Ling; Zhang, Yi-Quan; Gao, Song","Construction and theoretical study of a new Dy-β-diketone chain featuring slow magnetic relaxation","CrystEngComm","2015","17","30","5620","","10.1039/C5CE00971E","","","0.71073","MoKα","","0.0459","0.0301","","","0.0553","0.0599","","","","","","1.014","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220863","13.858","0.002","4.3834","0.0007","11.1513","0.0017","90","","98.584","0.002","90","","669.8","0.18","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1E)-1,2-bis[3-(Bromomethyl)phenyl]-diazene","","- C14 H12 Br2 N2 -","- C14 H12 Br2 N2 -","- C28 H24 Br4 N4 -","2","0.5","","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Thermodynamic parameters of the pedal motion in the crystal structures of two bromomethylated azobenzenes","CrystEngComm","2015","17","30","5751","","10.1039/C5CE00905G","","","0.71073","MoKα","","0.0257","0.0215","","","0.0539","0.0551","","","","","","1.057","","","","has coordinates,has disorder","153097","2020-10-21","18:00:00",""
"7220864","13.8531","0.0019","4.3928","0.0006","11.1633","0.0015","90","","98.597","0.002","90","","671.7","0.16","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1E)-1,2-bis[3-(Bromomethyl)phenyl]-diazene","","- C14 H12 Br2 N2 -","- C14 H12 Br2 N2 -","- C28 H24 Br4 N4 -","2","0.5","","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Thermodynamic parameters of the pedal motion in the crystal structures of two bromomethylated azobenzenes","CrystEngComm","2015","17","30","5751","","10.1039/C5CE00905G","","","0.71073","MoKα","","0.0269","0.0217","","","0.0538","0.0553","","","","","","1.061","","","","has coordinates,has disorder","153097","2020-10-21","18:00:00",""
"7220865","13.891","0.002","4.4024","0.0007","11.1676","0.0017","90","","98.719","0.002","90","","675.05","0.18","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1E)-1,2-bis[3-(Bromomethyl)phenyl]-diazene","","- C14 H12 Br2 N2 -","- C14 H12 Br2 N2 -","- C28 H24 Br4 N4 -","2","0.5","","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Thermodynamic parameters of the pedal motion in the crystal structures of two bromomethylated azobenzenes","CrystEngComm","2015","17","30","5751","","10.1039/C5CE00905G","","","0.71073","MoKα","","0.0318","0.0245","","","0.0601","0.0623","","","","","","1.052","","","","has coordinates,has disorder","153097","2020-10-21","18:00:00",""
"7220866","13.936","0.002","4.4112","0.0007","11.1717","0.0016","90","","98.84","0.002","90","","678.62","0.17","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1E)-1,2-bis[3-(Bromomethyl)phenyl]-diazene","","- C14 H12 Br2 N2 -","- C14 H12 Br2 N2 -","- C28 H24 Br4 N4 -","2","0.5","","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Thermodynamic parameters of the pedal motion in the crystal structures of two bromomethylated azobenzenes","CrystEngComm","2015","17","30","5751","","10.1039/C5CE00905G","","","0.71073","MoKα","","0.037","0.027","","","0.0633","0.066","","","","","","1.081","","","","has coordinates,has disorder","153097","2020-10-21","18:00:00",""
"7220867","13.9822","0.0018","4.4209","0.0006","11.1785","0.0014","90","","98.951","0.002","90","","682.57","0.15","210","2","210","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1E)-1,2-bis[3-(Bromomethyl)phenyl]-diazene","","- C14 H12 Br2 N2 -","- C14 H12 Br2 N2 -","- C28 H24 Br4 N4 -","2","0.5","","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Thermodynamic parameters of the pedal motion in the crystal structures of two bromomethylated azobenzenes","CrystEngComm","2015","17","30","5751","","10.1039/C5CE00905G","","","0.71073","MoKα","","0.0425","0.0283","","","0.0668","0.0714","","","","","","1.055","","","","has coordinates,has disorder","153097","2020-10-21","18:00:00",""
"7220868","14.0179","0.0018","4.4297","0.0006","11.1892","0.0014","90","","99.047","0.002","90","","686.15","0.15","250","2","250","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1E)-1,2-bis[3-(Bromomethyl)phenyl]-diazene","","- C14 H12 Br2 N2 -","- C14 H12 Br2 N2 -","- C28 H24 Br4 N4 -","2","0.5","","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Thermodynamic parameters of the pedal motion in the crystal structures of two bromomethylated azobenzenes","CrystEngComm","2015","17","30","5751","","10.1039/C5CE00905G","","","0.71073","MoKα","","0.0488","0.0299","","","0.0703","0.0759","","","","","","1.036","","","","has coordinates,has disorder","153097","2020-10-21","18:00:00",""
"7220869","14.051","0.002","4.4406","0.0006","11.2041","0.0016","90","","99.129","0.002","90","","690.22","0.17","270","2","270","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1E)-1,2-bis[3-(Bromomethyl)phenyl]-diazene","","- C14 H12 Br2 N2 -","- C14 H12 Br2 N2 -","- C28 H24 Br4 N4 -","2","0.5","","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Thermodynamic parameters of the pedal motion in the crystal structures of two bromomethylated azobenzenes","CrystEngComm","2015","17","30","5751","","10.1039/C5CE00905G","","","0.71073","MoKα","","0.054","0.0312","","","0.0722","0.0797","","","","","","1.023","","","","has coordinates,has disorder","153097","2020-10-21","18:00:00",""
"7220870","14.0837","0.0018","4.4538","0.0006","11.2236","0.0014","90","","99.2049","0.0018","90","","694.95","0.16","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1E)-1,2-bis[3-(Bromomethyl)phenyl]-diazene","","- C14 H12 Br2 N2 -","- C14 H12 Br2 N2 -","- C28 H24 Br4 N4 -","2","0.5","","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Thermodynamic parameters of the pedal motion in the crystal structures of two bromomethylated azobenzenes","CrystEngComm","2015","17","30","5751","","10.1039/C5CE00905G","","","0.71073","MoKα","","0.0689","0.0391","","","0.0837","0.0963","","","","","","1.032","","","","has coordinates,has disorder","153097","2020-10-21","18:00:00",""
"7220871","14.105","0.003","4.4657","0.001","11.245","0.002","90","","99.262","0.003","90","","699.1","0.2","330","2","330","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1E)-1,2-bis[3-(Bromomethyl)phenyl]-diazene","","- C14 H12 Br2 N2 -","- C14 H12 Br2 N2 -","- C28 H24 Br4 N4 -","2","0.5","","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Thermodynamic parameters of the pedal motion in the crystal structures of two bromomethylated azobenzenes","CrystEngComm","2015","17","30","5751","","10.1039/C5CE00905G","","","0.71073","MoKα","","0.0753","0.035","","","0.0767","0.0877","","","","","","1.008","","","","has coordinates,has disorder","153097","2020-10-21","18:00:00",""
"7220872","14.129","0.005","4.4805","0.0014","11.264","0.004","90","","99.369","0.005","90","","703.6","0.4","375","2","375","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1E)-1,2-bis[3-(Bromomethyl)phenyl]-diazene","","- C14 H12 Br2 N2 -","- C14 H12 Br2 N2 -","- C28 H24 Br4 N4 -","2","0.5","","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Thermodynamic parameters of the pedal motion in the crystal structures of two bromomethylated azobenzenes","CrystEngComm","2015","17","30","5751","","10.1039/C5CE00905G","","","0.71073","MoKα","","0.07","0.0323","","","0.0822","0.0944","","","","","","1.001","","","","has coordinates,has disorder","153097","2020-10-21","18:00:00",""
"7220873","12.9324","0.0011","4.4704","0.0004","11.5909","0.001","90","","102.592","0.001","90","","653.99","0.1","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1E)-1,2-bis[4-(Bromomethyl)phenyl]-diazene","","- C14 H12 Br2 N2 -","- C14 H12 Br2 N2 -","- C28 H24 Br4 N4 -","2","0.5","","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Thermodynamic parameters of the pedal motion in the crystal structures of two bromomethylated azobenzenes","CrystEngComm","2015","17","30","5751","","10.1039/C5CE00905G","","","0.71073","MoKα","","0.0296","0.0274","","","0.0729","0.075","","","","","","1.065","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7220874","12.9484","0.0015","4.4854","0.0005","11.6092","0.0013","90","","102.545","0.0014","90","","658.15","0.13","140","2","140","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1E)-1,2-bis[4-(Bromomethyl)phenyl]-diazene","","- C14 H12 Br2 N2 -","- C14 H12 Br2 N2 -","- C28 H24 Br4 N4 -","2","0.5","","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Thermodynamic parameters of the pedal motion in the crystal structures of two bromomethylated azobenzenes","CrystEngComm","2015","17","30","5751","","10.1039/C5CE00905G","","","0.71073","MoKα","","0.0348","0.0291","","","0.0748","0.0777","","","","","","1.046","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7220875","12.9648","0.0011","4.5026","0.0004","11.6333","0.001","90","","102.499","0.001","90","","663","0.1","190","2","190","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1E)-1,2-bis[4-(Bromomethyl)phenyl]-diazene","","- C14 H12 Br2 N2 -","- C14 H12 Br2 N2 -","- C28 H24 Br4 N4 -","2","0.5","","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Thermodynamic parameters of the pedal motion in the crystal structures of two bromomethylated azobenzenes","CrystEngComm","2015","17","30","5751","","10.1039/C5CE00905G","","","0.71073","MoKα","","0.0388","0.0323","","","0.0848","0.0902","","","","","","1.1","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7220876","12.9974","0.0015","4.516","0.0005","11.6594","0.0013","90","","102.481","0.002","90","","668.19","0.13","240","2","240","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1E)-1,2-bis[4-(Bromomethyl)phenyl]-diazene","","- C14 H12 Br2 N2 -","- C14 H12 Br2 N2 -","- C28 H24 Br4 N4 -","2","0.5","","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Thermodynamic parameters of the pedal motion in the crystal structures of two bromomethylated azobenzenes","CrystEngComm","2015","17","30","5751","","10.1039/C5CE00905G","","","0.71073","MoKα","","0.0481","0.0336","","","0.0822","0.0894","","","","","","1.024","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7220877","13.032","0.0011","4.5311","0.0004","11.6944","0.001","90","","102.483","0.001","90","","674.22","0.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1E)-1,2-bis[4-(Bromomethyl)phenyl]-diazene","","- C14 H12 Br2 N2 -","- C14 H12 Br2 N2 -","- C28 H24 Br4 N4 -","2","0.5","","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Thermodynamic parameters of the pedal motion in the crystal structures of two bromomethylated azobenzenes","CrystEngComm","2015","17","30","5751","","10.1039/C5CE00905G","","","0.71073","MoKα","","0.0575","0.0384","","","0.0951","0.1091","","","","","","1.079","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7220878","13.061","0.003","4.5482","0.0009","11.736","0.002","90","","102.463","0.003","90","","680.7","0.2","340","2","340","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1E)-1,2-bis[4-(Bromomethyl)phenyl]-diazene","","- C14 H12 Br2 N2 -","- C14 H12 Br2 N2 -","- C28 H24 Br4 N4 -","2","0.5","","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Thermodynamic parameters of the pedal motion in the crystal structures of two bromomethylated azobenzenes","CrystEngComm","2015","17","30","5751","","10.1039/C5CE00905G","","","0.71073","MoKα","","0.0742","0.0389","","","0.0957","0.1116","","","","","","0.973","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7220879","13.097","0.004","4.5652","0.0015","11.779","0.004","90","","102.471","0.005","90","","687.7","0.4","375","2","375","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1E)-1,2-bis[4-(Bromomethyl)phenyl]-diazene","","- C14 H12 Br2 N2 -","- C14 H12 Br2 N2 -","- C28 H24 Br4 N4 -","2","0.5","","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Thermodynamic parameters of the pedal motion in the crystal structures of two bromomethylated azobenzenes","CrystEngComm","2015","17","30","5751","","10.1039/C5CE00905G","","","0.71073","MoKα","","0.0799","0.0453","","","0.1066","0.1272","","","","","","1.101","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7220880","8.273","0.0009","10.2826","0.0012","15.1195","0.0017","96.759","0.002","101.61","0.002","105.668","0.002","1192.7","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H28 Mo8 N8 O30 -","- C36 H28 Mo8 N8 O30 -","- C36 H28 Mo8 N8 O30 -","1","0.5","","Wang, Xiu-Li; Xu, Na; Zhao, Xun-Zhang; Zhang, Ju-Wen; Gong, Chun-Hua; Li, Tian-Jiao","Polyoxometalate-directed assembly and various structures of inorganic‒organic hybrid compounds based on a semi-rigid bis-pyridyl-bis-amide","CrystEngComm","2015","17","37","7038","","10.1039/C5CE00962F","","","0.71073","MoKα","","0.0351","0.0254","","","0.0658","0.0691","","","","","","1.021","","","","has coordinates","171065","2020-10-21","18:00:00",""
"7220881","15.4","0.0006","17.393","0.0007","17.586","0.0007","99.683","0.001","101.239","0.001","106.964","0.001","4290","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C108 H106 Cu2 N24 O102 P2 W24 -","- C108 H72 Cu2 N24 O95 P2 W24 -","- C108 H72 Cu2 N24 O95 P2 W24 -","1","0.5","","Wang, Xiu-Li; Xu, Na; Zhao, Xun-Zhang; Zhang, Ju-Wen; Gong, Chun-Hua; Li, Tian-Jiao","Polyoxometalate-directed assembly and various structures of inorganic‒organic hybrid compounds based on a semi-rigid bis-pyridyl-bis-amide","CrystEngComm","2015","17","37","7038","","10.1039/C5CE00962F","","","0.71069","MoKα","","0.1017","0.0912","","","0.2039","0.2081","","","","","","1.197","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220882","10.8767","0.0019","12.698","0.002","14.373","0.003","113.644","0.003","92.071","0.004","114.579","0.003","1603.9","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H62 Cr Cu4 Mo6 N8 O42 -","- C36 H28 Cr Cu4 Mo6 N8 O42 -","- C36 H28 Cr Cu4 Mo6 N8 O42 -","1","0.5","","Wang, Xiu-Li; Xu, Na; Zhao, Xun-Zhang; Zhang, Ju-Wen; Gong, Chun-Hua; Li, Tian-Jiao","Polyoxometalate-directed assembly and various structures of inorganic‒organic hybrid compounds based on a semi-rigid bis-pyridyl-bis-amide","CrystEngComm","2015","17","37","7038","","10.1039/C5CE00962F","","","0.71073","MoKα","","0.1241","0.0846","","","0.2429","0.2761","","","","","","1.046","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220883","11.1118","0.0008","11.7101","0.0008","12.1289","0.0008","71.891","0.001","69.772","0.001","75.032","0.001","1387.26","0.17","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H51 Cr Cu2 Mo6 N8 O37 -","- C36 H44 Cr Cu2 Mo6 N8 O37 -","- C36 H44 Cr Cu2 Mo6 N8 O37 -","1","0.5","","Wang, Xiu-Li; Xu, Na; Zhao, Xun-Zhang; Zhang, Ju-Wen; Gong, Chun-Hua; Li, Tian-Jiao","Polyoxometalate-directed assembly and various structures of inorganic‒organic hybrid compounds based on a semi-rigid bis-pyridyl-bis-amide","CrystEngComm","2015","17","37","7038","","10.1039/C5CE00962F","","","0.71069","MoKα","","0.0669","0.0405","","","0.0855","0.0955","","","","","","1.005","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220884","12.476","0.004","12.003","0.004","17.582","0.005","90","","94.066","0.004","90","","2626.3","1.4","298","2","298.15","","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C16 H20 Ag4 N12 O40 Si W12 -","- C16 H20 Ag4 N12 O40 Si W12 -","- C32 H40 Ag8 N24 O80 Si2 W24 -","2","1","","Hu, Tuo-Ping; Zhao, Ya-Qin; Mei, Kai; Lin, Shu-Jie; Wang, Xing-Po; Sun, Di","A novel silver(i)-Keggin-polyoxometalate inorganic‒organic hybrid: a Lewis acid catalyst for cyanosilylation reaction","CrystEngComm","2015","17","31","5947","","10.1039/C5CE00953G","","","0.71073","MoKα","","0.0579","0.0561","","","0.1464","0.1487","","","","","","0.959","","","","has coordinates","153112","2020-10-21","18:00:00",""
"7220896","14.45","0.005","4.956","0.005","26.73","0.005","90","","96.301","0.005","90","","1903","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 N4 O2 S -","- C19 H20 N4 O2 S -","- C76 H80 N16 O8 S4 -","4","1","","Titus, Sarah; Sreejalekshmi, Kumaran G.","Propeller-shaped molecules with a thiazole hub: structural landscape and hydrazone cap mediated tunable host behavior in 4-hydrazino-1,3-thiazoles","CrystEngComm","2015","17","31","5978","","10.1039/C5CE01042J","","","0.71073","MoKα","","0.0925","0.0666","","","0.1823","0.2181","","","","","","1.04","","","","has coordinates,has disorder","153105","2020-10-21","18:00:00",""
"7220897","14.858","0.0005","4.854","0.0001","26.819","0.0008","90","","90.237","0.001","90","","1934.19","0.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","IPHAT 2","5-(4-chlorobenzoyl)-4-isopropylidenehydrazino-2-phenylaminothiazole","","- C19 H19 Cl N4 O2 S -","- C19 H19 Cl N4 O2 S -","- C76 H76 Cl4 N16 O8 S4 -","4","1","","Titus, Sarah; Sreejalekshmi, Kumaran G.","Propeller-shaped molecules with a thiazole hub: structural landscape and hydrazone cap mediated tunable host behavior in 4-hydrazino-1,3-thiazoles","CrystEngComm","2015","17","31","5978","","10.1039/C5CE01042J","","","0.71073","MoKα","","0.0612","0.0428","","","0.1098","0.1233","","","","","","1.025","","","","has coordinates,has disorder","153105","2020-10-21","18:00:00",""
"7220898","9.6388","0.0003","16.1889","0.0004","14.8442","0.0005","90","","91.076","0.001","90","","2315.9","0.12","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","BzHAT-MeOH","4-benzylidenehydrazino-5-(4-chlorobenzoyl)-2-phenylaminothiazole","","- C24 H21 Cl N4 O2 S -","- C24 H21 Cl N4 O2 S -","- C96 H84 Cl4 N16 O8 S4 -","4","1","","Titus, Sarah; Sreejalekshmi, Kumaran G.","Propeller-shaped molecules with a thiazole hub: structural landscape and hydrazone cap mediated tunable host behavior in 4-hydrazino-1,3-thiazoles","CrystEngComm","2015","17","31","5978","","10.1039/C5CE01042J","","","0.71073","MoKα","","0.0421","0.0348","","","0.0899","0.098","","","","","","1.037","","","","has coordinates","153105","2020-10-21","18:00:00",""
"7220899","9.672","0.0002","16.4163","0.0003","15.216","0.0003","90","","90.805","0.001","90","","2415.73","0.08","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","BzHAT-EtOH","4-benzylidenehydrazino-5-(4-chlorobenzoyl)-2-phenylaminothiazole","","- C25 H23 Cl N4 O2 S -","- C25 H23 Cl N4 O2 S -","- C100 H92 Cl4 N16 O8 S4 -","4","1","","Titus, Sarah; Sreejalekshmi, Kumaran G.","Propeller-shaped molecules with a thiazole hub: structural landscape and hydrazone cap mediated tunable host behavior in 4-hydrazino-1,3-thiazoles","CrystEngComm","2015","17","31","5978","","10.1039/C5CE01042J","","","0.71073","MoKα","","0.0612","0.0439","","","0.1136","0.1296","","","","","","1.043","","","","has coordinates","153105","2020-10-21","18:00:00",""
"7220900","11.987","0.016","12.649","0.016","14.39","0.02","102.66","0.03","106.82","0.02","93.196","0.012","2021","5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","CyHAT","5-benzoyl-4-cyclohexylidenehydrazino-2-phenylaminothiazole","","- C22 H22 N4 O S -","- C22 H22 N4 O S -","- C88 H88 N16 O4 S4 -","4","2","","Titus, Sarah; Sreejalekshmi, Kumaran G.","Propeller-shaped molecules with a thiazole hub: structural landscape and hydrazone cap mediated tunable host behavior in 4-hydrazino-1,3-thiazoles","CrystEngComm","2015","17","31","5978","","10.1039/C5CE01042J","","","0.71073","MoKα","","0.178","0.0651","","","0.1079","0.1437","","","","","","0.605","","","","has coordinates","153105","2020-10-21","18:00:00",""
"7220901","6.7596","0.0004","14.2927","0.0006","16.0445","0.0007","90","","90","","90","","1550.11","0.13","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","4-NO2-SP-HCl","4-nitrostyrylpyridinium chloride","","- C13 H17 Cl N2 O5 -","- C13 H13 Cl N2 O5 -","- C52 H52 Cl4 N8 O20 -","4","1","","Yamada, Shinji; Sako, Nodoka; Yamada, Kazuhiko; Deguchi, Kenzo; Shimizu, Tadashi","Porous organic hydrate crystals: structure and dynamic behaviour of water clusters","CrystEngComm","2015","17","30","5629","","10.1039/C4CE02517B","","","1.54187","CuKα","","0.126","0.0911","","","0.2306","0.2706","","","","","","1.036","","","","has coordinates","153101","2020-10-21","18:00:00",""
"7220902","10.4529","0.0001","16.105","0.0002","7.25488","0.0001","90","","112.369","0.001","90","","1129.41","0.02","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N4 O3 -","- C12 H10 N4 O3 -","- C48 H40 N16 O12 -","4","1","","Yoshii, Y.; Sakai, K.; Hoshino, N.; Takeda, T.; Noro, S.; Nakamura, T.; Akutagawa, T.","Crystal-to-crystal structural transformation of hydrogen-bonding molecular crystals of (imidazolium)(3-hydroxy-2-quinoxalinecarboxylate) through H2O adsorption‒desorption","CrystEngComm","2015","17","31","5962","","10.1039/C4CE02519A","","","1.54187","CuKα","","0.0419","0.0352","","","0.0927","0.1054","","","","","","1.111","","","","has coordinates","153114","2020-10-21","18:00:00",""
"7220903","7.02478","0.00013","16.0194","0.0003","21.5034","0.0004","90","","90","","90","","2419.84","0.08","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H12 N4 O4 -","- C12 H12 N4 O4 -","- C96 H96 N32 O32 -","8","1","","Yoshii, Y.; Sakai, K.; Hoshino, N.; Takeda, T.; Noro, S.; Nakamura, T.; Akutagawa, T.","Crystal-to-crystal structural transformation of hydrogen-bonding molecular crystals of (imidazolium)(3-hydroxy-2-quinoxalinecarboxylate) through H2O adsorption‒desorption","CrystEngComm","2015","17","31","5962","","10.1039/C4CE02519A","","","1.54187","CuKα","","0.0457","0.0422","","","0.1138","0.1168","","","","","","0.815","","","","has coordinates","153114","2020-10-21","18:00:00",""
"7220910","9.4974","0.0009","17.4158","0.0016","25.769","0.002","80.532","0.005","84.709","0.004","89.933","0.004","4185.9","0.6","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","L","","- C28 H22 N6 -","- C28 H22.005 N6 -","- C224 H176.04 N48 -","8","4","","Ryu, Hyunsoo; Mulyana, Yanyan; Park, In-Hyeok; Kim, Jinhee; Lindoy, Leonard F.; Lee, Shim Sung","Discrete and polymeric complexes of a macrocyclic pillar ligand in the absence and presence of dicarboxylic acid coligands","CrystEngComm","2015","17","30","5717","","10.1039/C5CE01127B","","","0.71073","MoKα","","0.1799","0.1044","","","0.2681","0.3286","","","","","","1.024","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220911","51.246","0.003","4.7708","0.0002","17.4723","0.0008","90","","99.207","0.003","90","","4216.7","0.4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1","","- C56 H43 N12 Ni -","- C56 H43 N12 Ni -","- C224 H172 N48 Ni4 -","4","0.5","","Ryu, Hyunsoo; Mulyana, Yanyan; Park, In-Hyeok; Kim, Jinhee; Lindoy, Leonard F.; Lee, Shim Sung","Discrete and polymeric complexes of a macrocyclic pillar ligand in the absence and presence of dicarboxylic acid coligands","CrystEngComm","2015","17","30","5717","","10.1039/C5CE01127B","","","0.71073","MoKα","","0.1468","0.0924","","","0.2334","0.2703","","","","","","1.076","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220912","51.241","0.003","4.7974","0.0003","17.4614","0.001","90","","99.137","0.004","90","","4238","0.4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2","","- C56 H40 Co2 N12 -","- C56 H40 Co2 N12 -","- C224 H160 Co8 N48 -","4","0.5","","Ryu, Hyunsoo; Mulyana, Yanyan; Park, In-Hyeok; Kim, Jinhee; Lindoy, Leonard F.; Lee, Shim Sung","Discrete and polymeric complexes of a macrocyclic pillar ligand in the absence and presence of dicarboxylic acid coligands","CrystEngComm","2015","17","30","5717","","10.1039/C5CE01127B","","","0.71073","MoKα","","0.1484","0.0555","","","0.1128","0.1563","","","","","","1.047","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220913","8.9584","0.0002","14.6692","0.0004","19.0677","0.0005","90","","117.742","0.002","90","","2217.71","0.11","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3","","- C28 H20 Co N6 -","- C28 H20 Co N6 -","- C112 H80 Co4 N24 -","4","1","","Ryu, Hyunsoo; Mulyana, Yanyan; Park, In-Hyeok; Kim, Jinhee; Lindoy, Leonard F.; Lee, Shim Sung","Discrete and polymeric complexes of a macrocyclic pillar ligand in the absence and presence of dicarboxylic acid coligands","CrystEngComm","2015","17","30","5717","","10.1039/C5CE01127B","","","0.71073","MoKα","","0.0737","0.0448","","","0.0935","0.1028","","","","","","1.057","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220914","25.9109","0.001","18.3337","0.0007","14.7137","0.0005","90","","90","","90","","6989.6","0.4","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","4","","- C37.5 H29 N6.5 O6 Zn -","- C37.5 H29 N6.5 O6 Zn -","- C300 H232 N52 O48 Zn8 -","8","1","","Ryu, Hyunsoo; Mulyana, Yanyan; Park, In-Hyeok; Kim, Jinhee; Lindoy, Leonard F.; Lee, Shim Sung","Discrete and polymeric complexes of a macrocyclic pillar ligand in the absence and presence of dicarboxylic acid coligands","CrystEngComm","2015","17","30","5717","","10.1039/C5CE01127B","","","0.71073","MoKα","","0.2049","0.0994","","","0.2115","0.2613","","","","","","1.031","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220915","19.8884","0.0013","33.434","0.002","26.1619","0.0017","90","","105.04","0.002","90","","16800.4","1.9","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","5","","- C84 H58 Co3 N12 O8 -","- C84 H58 Co3 N12 O8 -","- C672 H464 Co24 N96 O64 -","8","1","","Ryu, Hyunsoo; Mulyana, Yanyan; Park, In-Hyeok; Kim, Jinhee; Lindoy, Leonard F.; Lee, Shim Sung","Discrete and polymeric complexes of a macrocyclic pillar ligand in the absence and presence of dicarboxylic acid coligands","CrystEngComm","2015","17","30","5717","","10.1039/C5CE01127B","","","0.71073","MoKα","","0.1209","0.0714","","","0.2094","0.2292","","","","","","1.043","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220916","29.935","0.004","29.935","0.004","11.194","0.002","90","","90","","120","","8687","2","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C17 H15 N3 O6 Zn -","- C17 H15 N3 O6 Zn -","- C306 H270 N54 O108 Zn18 -","18","1","","Yang, Linyan; Zhang, Yanping; Lv, Rui; Wang, Jingyao; Fu, Xin; Gu, Wen; Liu, Xin","Serrated single-wall metal‒organic nanotubes (SWMONTs) for benzene adsorption","CrystEngComm","2015","17","30","5625","","10.1039/C5CE00911A","","","0.71073","MoKα","","0.079","0.07","","","0.1907","0.1981","","","","","","1.101","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220928","19.7623","0.0013","21.3747","0.0014","8.369","0.0005","90","","112.171","0.005","90","","3273.8","0.4","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C23 H16 N6 O4 Zn -","- C23 H16 N6 O4 Zn -","- C92 H64 N24 O16 Zn4 -","4","1","","Zhang, Xueqiong; Gao, Yanfei; Liu, Houting; Liu, Zhiliang","Fabrication of porous metal‒organic frameworks via a mixed-ligand strategy for highly selective and efficient dye adsorption in aqueous solution","CrystEngComm","2015","17","31","6037","","10.1039/C5CE00862J","","","0.71073","MoKα","","0.0774","0.0549","","","0.1073","0.1176","","","","","","0.937","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220929","19.499","0.003","19.499","0.003","10.738","0.002","90","","90","","120","","3535.7","1","293","2","293","2","","","","","","","","5","P -3","-P 3","147","","","","- C24 H16 N4 O4 Zn -","- C24 H16 N4 O4 Zn -","- C144 H96 N24 O24 Zn6 -","6","1","","Zhang, Xueqiong; Gao, Yanfei; Liu, Houting; Liu, Zhiliang","Fabrication of porous metal‒organic frameworks via a mixed-ligand strategy for highly selective and efficient dye adsorption in aqueous solution","CrystEngComm","2015","17","31","6037","","10.1039/C5CE00862J","","","0.71073","MoKα","","0.148","0.1078","","","0.305","0.3403","","","","","","1.165","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220930","13.9914","0.0002","20.2561","0.0004","23.3703","0.0005","90","","90","","90","","6623.4","0.2","293","2","293","2","","","","","","","","5","P c c 2","P 2 -2c","27","","","","- C60 H40 N12 O12 Zn3 -","- C60 H43 N12 O12 Zn3 -","- C240 H172 N48 O48 Zn12 -","4","1","","Zhang, Xueqiong; Gao, Yanfei; Liu, Houting; Liu, Zhiliang","Fabrication of porous metal‒organic frameworks via a mixed-ligand strategy for highly selective and efficient dye adsorption in aqueous solution","CrystEngComm","2015","17","31","6037","","10.1039/C5CE00862J","","","1.54184","CuKα","","0.1478","0.0895","","","0.2142","0.2794","","","","","","0.948","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220931","7.715","0.0012","8.258","0.0013","9.594","0.0016","115.02","0.005","92.541","0.005","90.02","0.005","553.21","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H16 Cu N10 O6 -","- C22 H16 Cu N10 O6 -","- C22 H16 Cu N10 O6 -","1","0.5","","Cañellas, Santiago; Bauzá, Antonio; Lancho, Aïda; García-Raso, Angel; Fiol, Joan J.; Molins, Elies; Ballester, Pablo; Frontera, Antonio","Synthesis, X-ray characterization and DFT studies of N-benzimidazolyl-pyrimidine‒M(ii) complexes (M = Cu, Co and Ni): the prominent role of π-hole and anion‒π interactions","CrystEngComm","2015","17","31","5987","","10.1039/C5CE01009H","","","0.71073","MoKα","","0.067","0.0442","","","0.0886","0.0965","","","","","","1.062","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220932","15.354","0.004","9.78","0.002","16.2709","0.0014","90","","104.57","0.04","90","","2364.7","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H8 Cu0.5 N5 O3 -","- C11 H8 Cu0.5 N5 O3 -","- C88 H64 Cu4 N40 O24 -","8","1","","Cañellas, Santiago; Bauzá, Antonio; Lancho, Aïda; García-Raso, Angel; Fiol, Joan J.; Molins, Elies; Ballester, Pablo; Frontera, Antonio","Synthesis, X-ray characterization and DFT studies of N-benzimidazolyl-pyrimidine‒M(ii) complexes (M = Cu, Co and Ni): the prominent role of π-hole and anion‒π interactions","CrystEngComm","2015","17","31","5987","","10.1039/C5CE01009H","","x-ray","0.71073","MoKα","","0.0728","0.0389","","","0.0832","0.098","","","","","","1.079","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7220933","15.101","0.006","9.635","0.003","16.508","0.008","90","","103.54","0.06","90","","2335.1","1.7","294","2","294","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 Co N10 O6 -","- C22 H16 Co N10 O6 -","- C88 H64 Co4 N40 O24 -","4","0.5","","Cañellas, Santiago; Bauzá, Antonio; Lancho, Aïda; García-Raso, Angel; Fiol, Joan J.; Molins, Elies; Ballester, Pablo; Frontera, Antonio","Synthesis, X-ray characterization and DFT studies of N-benzimidazolyl-pyrimidine‒M(ii) complexes (M = Cu, Co and Ni): the prominent role of π-hole and anion‒π interactions","CrystEngComm","2015","17","31","5987","","10.1039/C5CE01009H","","x-ray","0.71073","MoKα","","0.089","0.0451","","","0.0939","0.1055","","","","","","1.022","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220934","15.327","0.008","9.623","0.006","16.459","0.008","90","","104.47","0.04","90","","2351","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 N10 Ni O6 -","- C22 H16 N10 Ni O6 -","- C88 H64 N40 Ni4 O24 -","4","0.5","","Cañellas, Santiago; Bauzá, Antonio; Lancho, Aïda; García-Raso, Angel; Fiol, Joan J.; Molins, Elies; Ballester, Pablo; Frontera, Antonio","Synthesis, X-ray characterization and DFT studies of N-benzimidazolyl-pyrimidine‒M(ii) complexes (M = Cu, Co and Ni): the prominent role of π-hole and anion‒π interactions","CrystEngComm","2015","17","31","5987","","10.1039/C5CE01009H","","x-ray","0.71073","MoKα","","0.2903","0.0925","","","0.0895","0.1299","","","","","","0.841","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220935","7.0438","0.0007","7.8981","0.0007","12.0293","0.0011","81.397","0.003","89.396","0.003","67.424","0.003","610.18","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 Cu N10 O10 -","- C22 H20 Cu N10 O10 -","- C22 H20 Cu N10 O10 -","1","0.5","","Cañellas, Santiago; Bauzá, Antonio; Lancho, Aïda; García-Raso, Angel; Fiol, Joan J.; Molins, Elies; Ballester, Pablo; Frontera, Antonio","Synthesis, X-ray characterization and DFT studies of N-benzimidazolyl-pyrimidine‒M(ii) complexes (M = Cu, Co and Ni): the prominent role of π-hole and anion‒π interactions","CrystEngComm","2015","17","31","5987","","10.1039/C5CE01009H","","","0.71073","MoKα","","0.0486","0.0389","","","0.1092","0.1157","","","","","","1.008","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220936","3.98","0.002","13.759","0.007","15.461","0.008","90","","90.994","0.008","90","","846.5","0.7","298","2","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,4-dinitroanisole","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C28 H24 N8 O20 -","4","1","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.0719","0.0528","","","0.1541","0.178","","","","","","1.038","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220937","3.9618","0.0019","13.745","0.007","15.47","0.008","90","","91.089","0.006","90","","842.3","0.7","283","2","283","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,4-dinitroanisole","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C28 H24 N8 O20 -","4","1","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.07","0.0429","","","0.1089","0.1241","","","","","","0.883","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220938","3.957","0.002","13.735","0.007","15.454","0.008","90","","91.156","0.008","90","","839.7","0.7","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C28 H24 N8 O20 -","4","1","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.0756","0.0454","","","0.1237","0.1522","","","","","","0.887","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220939","3.9291","0.0018","13.739","0.006","15.443","0.007","90","","94.454","0.007","90","","831.1","0.6","261","2","261","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C28 H24 N8 O20 -","4","1","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.0707","0.0438","","","0.1078","0.1216","","","","","","0.919","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220940","3.908","0.002","13.78","0.01","15.42","0.01","90","","95.31","0.006","90","","826.8","0.9","236","2","236","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C28 H24 N8 O20 -","4","1","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.0711","0.0446","","","0.1147","0.1255","","","","","","0.917","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220941","3.8968","0.0018","13.781","0.007","15.419","0.007","90","","95.382","0.006","90","","824.4","0.7","226","2","226","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C28 H24 N8 O20 -","4","1","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.0653","0.045","","","0.1247","0.1396","","","","","","1.083","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220942","3.88","0.002","13.786","0.007","15.404","0.009","90","","95.639","0.007","90","","820","0.8","208","2","208","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C28 H24 N8 O20 -","4","1","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.0615","0.0417","","","0.1074","0.1172","","","","","","0.913","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220943","3.876","0.0018","13.791","0.006","15.388","0.007","90","","95.882","0.006","90","","818.2","0.6","198","","198","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C28 H24 N8 O20 -","4","1","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.0576","0.0384","","","0.0947","0.1026","","","","","","0.916","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220944","3.8537","0.0015","13.804","0.005","15.381","0.006","90","","96.164","0.006","90","","813.5","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C28 H24 N8 O20 -","4","1","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.0554","0.0404","","","0.1064","0.1155","","","","","","1.007","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220945","3.8278","0.0018","13.813","0.006","15.364","0.008","90","","96.512","0.007","90","","807.1","0.7","128","","128","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C28 H24 N8 O20 -","4","1","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.0457","0.0347","","","0.0856","0.0902","","","","","","0.958","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220946","3.8139","0.001","13.823","0.004","15.349","0.004","90","","96.777","0.004","90","","803.5","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C28 H24 N8 O20 -","4","1","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.0402","0.0331","","","0.0882","0.0915","","","","","","1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220947","8.593","0.002","12.641","0.003","15.263","0.004","90","","97.065","0.004","90","","1645.3","0.7","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C56 H48 N16 O40 -","8","2","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.0587","0.0354","","","0.067","0.0729","","","","","","0.879","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220948","8.608","0.002","12.658","0.003","15.282","0.004","90","","97.022","0.003","90","","1652.6","0.7","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C56 H48 N16 O40 -","8","2","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.0565","0.0405","","","0.0911","0.0985","","","","","","1.055","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220949","8.623","0.004","12.646","0.005","15.305","0.006","90","","97.145","0.005","90","","1656","1.2","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C56 H48 N16 O40 -","8","2","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.0625","0.0448","","","0.0972","0.1054","","","","","","1.066","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220950","8.665","0.003","12.666","0.004","15.316","0.005","90","","97.277","0.003","90","","1667.4","1","183","2","183","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C56 H48 N16 O40 -","8","2","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.0692","0.0482","","","0.1049","0.115","","","","","","1.067","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220951","8.691","0.003","12.673","0.004","15.336","0.005","90","","97.417","0.004","90","","1675","1","213","2","213","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C56 H48 N16 O40 -","8","2","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.0749","0.0503","","","0.1096","0.121","","","","","","1.07","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220952","8.721","0.003","12.675","0.004","15.366","0.005","90","","97.58","0.004","90","","1683.7","1","243","2","243","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C56 H48 N16 O40 -","8","2","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.0837","0.0524","","","0.1096","0.1239","","","","","","1.057","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220953","8.767","0.003","12.675","0.004","15.411","0.005","90","","97.912","0.005","90","","1696.2","1","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C56 H48 N16 O40 -","8","2","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.0985","0.0578","","","0.1265","0.1466","","","","","","1.046","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220954","8.794","0.003","12.678","0.003","15.437","0.005","90","","98.052","0.004","90","","1704.1","0.9","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C56 H48 N16 O40 -","8","2","","Takahashi, Hiroki; Tamura, Rui","Low temperature phase transition induced biaxial negative thermal expansion of 2,4-dinitroanisole","CrystEngComm","2015","17","46","8888","","10.1039/C5CE00029G","","","0.71075","MoKα","","0.1067","0.0594","","","0.1274","0.1483","","","","","","1.093","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220955","7.6803","0.0013","18.549","0.004","11.229","0.003","90","","92.711","0.015","90","","1597.9","0.6","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H24 Cl4 N6 -","- C34 H24 Cl4 N6 -","- C68 H48 Cl8 N12 -","2","0.5","","Akune, Yoko; Gontani, Haruyuki; Hirosawa, Risa; Koseki, Atsushi; Matsumoto, Shinya","The effects of molecular flexibility and substituents on conformational polymorphism in a series of 2,5-diamino-3,6-dicyanopyrazine dyes with highly flexible groups","CrystEngComm","2015","17","30","5789","","10.1039/C5CE01004G","","","1.54187","CuKα","","","0.065","","","","0.1694","","","","","","1.089","","","","has coordinates","153099","2020-10-21","18:00:00",""
"7220956","23.613","0.005","5.9425","0.001","22.998","0.005","90","","102.411","0.008","90","","3151.7","1.1","296","","296","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C38 H36 N6 -","- C38 H36 N6 -","- C152 H144 N24 -","4","0.5","","Akune, Yoko; Gontani, Haruyuki; Hirosawa, Risa; Koseki, Atsushi; Matsumoto, Shinya","The effects of molecular flexibility and substituents on conformational polymorphism in a series of 2,5-diamino-3,6-dicyanopyrazine dyes with highly flexible groups","CrystEngComm","2015","17","30","5789","","10.1039/C5CE01004G","","","1.54187","CuKα","","","0.0497","","","","0.1392","","","","","","1.052","","","","has coordinates","153099","2020-10-21","18:00:00",""
"7220957","4.832","0.008","26.06","0.04","12.243","0.015","90","","91.4","0.08","90","","1541","4","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C38 H36 N6 -","- C38 H36 N6 -","- C76 H72 N12 -","2","0.5","","Akune, Yoko; Gontani, Haruyuki; Hirosawa, Risa; Koseki, Atsushi; Matsumoto, Shinya","The effects of molecular flexibility and substituents on conformational polymorphism in a series of 2,5-diamino-3,6-dicyanopyrazine dyes with highly flexible groups","CrystEngComm","2015","17","30","5789","","10.1039/C5CE01004G","","","1.54187","CuKα","","","0.0754","","","","0.2182","","","","","","1.005","","","","has coordinates","153099","2020-10-21","18:00:00",""
"7220958","46.128","0.012","6.2135","0.0014","20.163","0.005","90","","100.884","0.019","90","","5675","2","296","","296","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C34 H28 N6 -","- C34 H28 N6 -","- C272 H224 N48 -","8","1","","Akune, Yoko; Gontani, Haruyuki; Hirosawa, Risa; Koseki, Atsushi; Matsumoto, Shinya","The effects of molecular flexibility and substituents on conformational polymorphism in a series of 2,5-diamino-3,6-dicyanopyrazine dyes with highly flexible groups","CrystEngComm","2015","17","30","5789","","10.1039/C5CE01004G","","","1.54187","CuKα","","","0.0744","","","","0.1771","","","","","","0.932","","","","has coordinates","153099","2020-10-21","18:00:00",""
"7220959","23.947","0.007","6.9011","0.0013","23.64","0.008","90","","104.564","0.011","90","","3781.2","1.8","296","","296","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C50 H36 N6 -","- C50 H36 N6 -","- C200 H144 N24 -","4","0.5","","Akune, Yoko; Gontani, Haruyuki; Hirosawa, Risa; Koseki, Atsushi; Matsumoto, Shinya","The effects of molecular flexibility and substituents on conformational polymorphism in a series of 2,5-diamino-3,6-dicyanopyrazine dyes with highly flexible groups","CrystEngComm","2015","17","30","5789","","10.1039/C5CE01004G","","","1.54187","CuKα","","","0.0619","","","","0.1712","","","","","","1.015","","","","has coordinates","153099","2020-10-21","18:00:00",""
"7220962","39.356","0.013","9.332","0.003","9.842","0.003","90","","101.864","0.004","90","","3537","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H34 N6 O10 Zn2 -","- C24 H34 N6 O10 Zn2 -","- C96 H136 N24 O40 Zn8 -","4","0.5","","Deng, Mingli; Tai, Shijun; Zhang, Weiquan; Wang, Yongchen; Zhu, Jiaxing; Zhang, Jinsheng; Ling, Yun; Zhou, Yaming","A self-catenated rob-type porous coordination polymer constructed from triazolate and carboxylate ligands: fluorescence response to the reversible phase transformation","CrystEngComm","2015","17","31","6023","","10.1039/C5CE00887E","","","0.71073","MoKα","","0.0604","0.0554","","","0.1687","0.1747","","","","","","1.096","","","","has coordinates","153106","2020-10-21","18:00:00",""
"7220963","38.503","0.005","9.4511","0.0012","9.8023","0.0013","90","","100.578","0.002","90","","3506.4","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H28 N8 O8 Zn2 -","- C22 H20 N8 O7.9998 Zn2 -","- C88 H80 N32 O31.9992 Zn8 -","4","0.5","","Deng, Mingli; Tai, Shijun; Zhang, Weiquan; Wang, Yongchen; Zhu, Jiaxing; Zhang, Jinsheng; Ling, Yun; Zhou, Yaming","A self-catenated rob-type porous coordination polymer constructed from triazolate and carboxylate ligands: fluorescence response to the reversible phase transformation","CrystEngComm","2015","17","31","6023","","10.1039/C5CE00887E","","","0.71073","MoKα","","0.0952","0.0618","","","0.2065","0.2442","","","","","","1.122","","","","has coordinates,has disorder","153106","2020-10-21","18:00:00",""
"7220964","38.028","0.01","9.647","0.003","9.871","0.003","90","","97.49","0.005","90","","3590.3","1.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H22 N6 O8 Zn2 -","- C20 H22 N6 O8 Zn2 -","- C80 H88 N24 O32 Zn8 -","4","0.5","","Deng, Mingli; Tai, Shijun; Zhang, Weiquan; Wang, Yongchen; Zhu, Jiaxing; Zhang, Jinsheng; Ling, Yun; Zhou, Yaming","A self-catenated rob-type porous coordination polymer constructed from triazolate and carboxylate ligands: fluorescence response to the reversible phase transformation","CrystEngComm","2015","17","31","6023","","10.1039/C5CE00887E","","","0.71073","MoKα","","0.1091","0.0845","","","0.2533","0.2759","","","","","","1.152","","","","has coordinates","153106","2020-10-21","18:00:00",""
"7220965","14.2707","0.0005","11.9131","0.0004","18.9905","0.0006","90","","90","","90","","3228.54","0.19","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H17 N O10 Zn -","- C15 H17 N O10 Zn -","- C120 H136 N8 O80 Zn8 -","8","1","","Li, Hai-Yang; Cao, Li-Hui; Wei, Yong-Li; Xu, Hong; Zang, Shuang-Quan","Construction of a series of metal‒organic frameworks based on novel flexible ligand 4-carboxy-1-(3,5-dicarboxy-benzyl)-pyridinium chloride and selective d-block metal ions: crystal structures and photoluminescence","CrystEngComm","2015","17","33","6297","","10.1039/C5CE01008J","","","0.71073","MoKα","","0.0662","0.0399","","","0.0789","0.0869","","","","","","0.999","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220966","7.4952","0.0002","17.417","0.0005","21.7353","0.0005","90","","90","","90","","2837.41","0.13","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H11 N O7 Zn -","- C15 H11 N O7 Zn -","- C120 H88 N8 O56 Zn8 -","8","1","","Li, Hai-Yang; Cao, Li-Hui; Wei, Yong-Li; Xu, Hong; Zang, Shuang-Quan","Construction of a series of metal‒organic frameworks based on novel flexible ligand 4-carboxy-1-(3,5-dicarboxy-benzyl)-pyridinium chloride and selective d-block metal ions: crystal structures and photoluminescence","CrystEngComm","2015","17","33","6297","","10.1039/C5CE01008J","","","0.71073","MoKα","","0.0391","0.0314","","","0.0715","0.0746","","","","","","1.026","","","","has coordinates","171083","2020-10-21","18:00:00",""
"7220967","11.722","0.0004","15.365","0.0005","12.7229","0.001","90","","119.424","0.004","90","","1995.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N2 O8 Zn -","- C20 H17 N2 O8 Zn -","- C80 H68 N8 O32 Zn4 -","4","1","","Li, Hai-Yang; Cao, Li-Hui; Wei, Yong-Li; Xu, Hong; Zang, Shuang-Quan","Construction of a series of metal‒organic frameworks based on novel flexible ligand 4-carboxy-1-(3,5-dicarboxy-benzyl)-pyridinium chloride and selective d-block metal ions: crystal structures and photoluminescence","CrystEngComm","2015","17","33","6297","","10.1039/C5CE01008J","","","0.71073","MoKα","","0.0648","0.0463","","","0.107","0.1185","","","","","","0.999","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220968","17.0363","0.0004","7.7794","0.0002","20.1494","0.0005","90","","90","","90","","2670.44","0.11","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H11 Br0 Cd N O7 -","- C15 H11 Cd N O7 -","- C120 H88 Cd8 N8 O56 -","8","1","","Li, Hai-Yang; Cao, Li-Hui; Wei, Yong-Li; Xu, Hong; Zang, Shuang-Quan","Construction of a series of metal‒organic frameworks based on novel flexible ligand 4-carboxy-1-(3,5-dicarboxy-benzyl)-pyridinium chloride and selective d-block metal ions: crystal structures and photoluminescence","CrystEngComm","2015","17","33","6297","","10.1039/C5CE01008J","","","0.71073","MoKα","","0.0407","0.0304","","","0.0683","0.072","","","","","","1.089","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220969","8.6985","0.0004","9.4824","0.0006","17.7549","0.001","80.703","0.005","77.485","0.005","65.302","0.005","1294.72","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H27 Cd N5 O8 -","- C25 H27 Cd N5 O8 -","- C50 H54 Cd2 N10 O16 -","2","1","","Li, Hai-Yang; Cao, Li-Hui; Wei, Yong-Li; Xu, Hong; Zang, Shuang-Quan","Construction of a series of metal‒organic frameworks based on novel flexible ligand 4-carboxy-1-(3,5-dicarboxy-benzyl)-pyridinium chloride and selective d-block metal ions: crystal structures and photoluminescence","CrystEngComm","2015","17","33","6297","","10.1039/C5CE01008J","","","0.71073","MoKα","","0.0484","0.0374","","","0.073","0.0764","","","","","","1.031","","","","has coordinates","171083","2020-10-21","18:00:00",""
"7220970","10.1493","0.0005","11.1061","0.0007","12.8644","0.0006","109.643","0.005","101.237","0.004","94.591","0.005","1322.77","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H29 Cu N3 O12 -","- C25 H29 Cu N3 O12 -","- C50 H58 Cu2 N6 O24 -","2","1","","Li, Hai-Yang; Cao, Li-Hui; Wei, Yong-Li; Xu, Hong; Zang, Shuang-Quan","Construction of a series of metal‒organic frameworks based on novel flexible ligand 4-carboxy-1-(3,5-dicarboxy-benzyl)-pyridinium chloride and selective d-block metal ions: crystal structures and photoluminescence","CrystEngComm","2015","17","33","6297","","10.1039/C5CE01008J","","","0.71073","MoKα","","0.0734","0.0497","","","0.1017","0.1095","","","","","","1.013","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220971","10.0801","0.0003","10.821","0.0005","13.4386","0.0006","95.194","0.004","92.144","0.003","92.391","0.003","1457.3","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H31 Cu N3 O12 -","- C27 H31 Cu N3 O12 -","- C54 H62 Cu2 N6 O24 -","2","1","","Li, Hai-Yang; Cao, Li-Hui; Wei, Yong-Li; Xu, Hong; Zang, Shuang-Quan","Construction of a series of metal‒organic frameworks based on novel flexible ligand 4-carboxy-1-(3,5-dicarboxy-benzyl)-pyridinium chloride and selective d-block metal ions: crystal structures and photoluminescence","CrystEngComm","2015","17","33","6297","","10.1039/C5CE01008J","","","0.71073","MoKα","","0.1","0.0892","","","0.2601","0.2718","","","","","","1.058","","","","has coordinates","171083","2020-10-21","18:00:00",""
"7220972","38.012","0.007","38.012","0.007","29.603","0.012","90","","90","","120","","37043","18","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C60 H46 Co3 N6 O14 -","- C60 H46 Co3 N6 O14 -","- C1080 H828 Co54 N108 O252 -","18","0.5","","Zhou, Ting-Ting; Xuan, Zhi-Hong; Zhang, Da-Shuai; Chang, Ze; Zhang, Ying-Hui; Bu, Xian-He","A unique “cage-in-cage” metal‒organic framework based on nested cages from interpenetrated networks","CrystEngComm","2015","17","31","5884","","10.1039/C5CE01047K","","","0.71073","MoKα","","0.0898","0.0627","","","0.1647","0.1831","","","","","","1.078","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221019","13.1304","0.0007","16.5224","0.0009","19.2845","0.001","83.67","0.003","82.84","0.003","70.242","0.003","3896.3","0.4","123","","123","","","","","","","","J.M.Klein","5","P -1","-P 1","2","","","","- C82 H85 Cd2 N13 O16 -","- C82 H85 Cd2 N13 O16 -","- C164 H170 Cd4 N26 O32 -","2","1","","Klein, Y. Maximilian; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Manipulating connecting nodes through remote alkoxy chain variation in coordination networks with 4′-alkoxy-4,2′:6′,4′′-terpyridine linkers","CrystEngComm","2015","17","34","6483","","10.1039/C5CE01115A","","","1.54178","CuKα","","0.0586","0.054","","0.1228","0.1212","0.1228","","","","","","0.987","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221020","15.0312","0.0009","25.4508","0.0011","21.7048","0.0012","90","","92.051","0.004","90","","8298","0.8","123","","123","","","","","","","","M.Klein","6","P 1 21/n 1","-P 2yn","14","","","","- C75 H66 Cd2 Cl9 N13 O15 -","- C72 H63 Cd2 N13 O15 -","- C288 H252 Cd8 N52 O60 -","4","1","","Klein, Y. Maximilian; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Manipulating connecting nodes through remote alkoxy chain variation in coordination networks with 4′-alkoxy-4,2′:6′,4′′-terpyridine linkers","CrystEngComm","2015","17","34","6483","","10.1039/C5CE01115A","","","1.5418","CuKα","","0.1228","0.0814","","0.2753","0.2242","0.2753","","","","","","0.9871","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221021","17.336","0.003","17.302","0.003","18.817","0.003","90","","97.458","0.007","90","","5596.4","1.6","123","","123","","","","","","","","Max Klein","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H66 Cd N8 O10 -","- C58 H66 Cd N8 O10 -","- C232 H264 Cd4 N32 O40 -","4","1","","Klein, Y. Maximilian; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Manipulating connecting nodes through remote alkoxy chain variation in coordination networks with 4′-alkoxy-4,2′:6′,4′′-terpyridine linkers","CrystEngComm","2015","17","34","6483","","10.1039/C5CE01115A","","","1.54178","CuKα","","0.1359","0.0986","","0.3369","0.2752","0.3369","","","","","","0.9707","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221022","25.945","0.006","24.578","0.005","17.527","0.003","90","","91.069","0.009","90","","11175","4","123","","123","","","","","","","","M. Klein","6","P 1 21/c 1","-P 2ybc","14","","","","- C107 H103 Cd2 Cl9 N16 O16 -","- C105 H101 Cd2 Cl3 N16 O16 -","- C420 H404 Cd8 Cl12 N64 O64 -","4","1","","Klein, Y. Maximilian; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Manipulating connecting nodes through remote alkoxy chain variation in coordination networks with 4′-alkoxy-4,2′:6′,4′′-terpyridine linkers","CrystEngComm","2015","17","34","6483","","10.1039/C5CE01115A","","","1.5418","CuKα","","0.1419","0.134","","0.3513","0.3465","0.3513","","","","","","1.0024","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221023","25.2624","0.0012","25.0809","0.0011","16.7959","0.0008","90","","92.522","0.003","90","","10631.6","0.9","123","","123","","","","","","","","M. Klein","6","P 1 21/c 1","-P 2ybc","14","","","","- C110 H112 Cd2 Cl3 N16 O17 -","- C108 H108 Cd2 N16 O16 -","- C432 H432 Cd8 N64 O64 -","4","1","","Klein, Y. Maximilian; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Manipulating connecting nodes through remote alkoxy chain variation in coordination networks with 4′-alkoxy-4,2′:6′,4′′-terpyridine linkers","CrystEngComm","2015","17","34","6483","","10.1039/C5CE01115A","","","1.5418","CuKα","","0.1279","0.1026","","0.3071","0.2838","0.3071","","","","","","0.9905","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221050","7.6279","0.0009","10.6208","0.0013","20.927","0.003","76.939","0.006","80.725","0.006","72.021","0.006","1563.2","0.4","300","2","300","2","","","","","","","","5","P 1","P 1","1","","","","- C33 H37 Fe N5 O5 -","- C33 H37 Fe N5 O5 -","- C66 H74 Fe2 N10 O10 -","2","2","","Acha, Roland T.; Pilkington, Melanie","Probing the structural changes accompanying a spin crossover transition in a chiral [Fe(ii)(N3O2)(CN)2] macrocycle by X-ray crystallography","CrystEngComm","2015","17","46","8897","","10.1039/C5CE01052G","","","0.71073","MoKα","","0.1025","0.0883","","","0.204","0.2142","","","","","","1.124","","","","has coordinates","173744","2020-10-21","18:00:00",""
"7221051","7.5843","0.0006","10.6128","0.001","21.007","0.002","76.045","0.003","80.991","0.002","71.463","0.002","1549.9","0.2","150","2","150","2","","","","","","","","5","P 1","P 1","1","","","","- C33 H39 Fe N5 O5 -","- C33 H39 Fe N5 O5 -","- C66 H78 Fe2 N10 O10 -","2","2","","Acha, Roland T.; Pilkington, Melanie","Probing the structural changes accompanying a spin crossover transition in a chiral [Fe(ii)(N3O2)(CN)2] macrocycle by X-ray crystallography","CrystEngComm","2015","17","46","8897","","10.1039/C5CE01052G","","","0.71073","MoKα","","0.085","0.0649","","","0.1448","0.1583","","","","","","1.028","","","","has coordinates","173744","2020-10-21","18:00:00",""
"7221052","20.6387","0.001","20.6387","0.001","20.6387","0.001","90","","90","","90","","8791.2","0.7","293","2","293","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C240 H144 Br4 Cd24 K4 N192 O48 -","- C240 H144 Br4 Cd24 K4 N192 O48 -","- C240 H144 Br4 Cd24 K4 N192 O48 -","1","0.0416667","","Zheng, Bao-Hua; Hao, Xue-Na; An, Bo; Qiao, Jin-Zhong; Hu, Tuo-Ping","Ion template effects of 4,5-dicyanoimidazole in the assembly of a series of 3D bimetallic coordination networks","CrystEngComm","2015","17","32","6103","","10.1039/C5CE01097G","","","0.71073","MoKα","","0.0261","0.0197","","","0.0487","0.0525","","","","","","1.073","","","","has coordinates","153132","2020-10-21","18:00:00",""
"7221053","20.496","0.007","20.496","0.007","20.496","0.007","90","","90","","90","","8610","5","296","2","296.15","","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C H Cd Cl K N O -","- C3.87097 H2.32258 Cd0.387097 Cl0.0645161 K0.0645161 N3.09677 O0.774194 -","- C240 H144 Cd24 Cl4 K4 N192 O48 -","62","2.58333","","Zheng, Bao-Hua; Hao, Xue-Na; An, Bo; Qiao, Jin-Zhong; Hu, Tuo-Ping","Ion template effects of 4,5-dicyanoimidazole in the assembly of a series of 3D bimetallic coordination networks","CrystEngComm","2015","17","32","6103","","10.1039/C5CE01097G","","","0.71073","MoKα","","0.0599","0.0379","","","0.0859","0.0948","","","","","","0.961","","","","has coordinates","153132","2020-10-21","18:00:00",""
"7221054","20.554","0.0009","20.554","0.0009","20.554","0.0009","90","","90","","90","","8683.4","0.7","296","2","296.15","","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C60 H36 Br Cd6 N48 Na O12 -","- C60 H36 Br Cd6 N48 Na O12 -","- C240 H144 Br4 Cd24 N192 Na4 O48 -","4","0.166667","","Zheng, Bao-Hua; Hao, Xue-Na; An, Bo; Qiao, Jin-Zhong; Hu, Tuo-Ping","Ion template effects of 4,5-dicyanoimidazole in the assembly of a series of 3D bimetallic coordination networks","CrystEngComm","2015","17","32","6103","","10.1039/C5CE01097G","","","0.71073","MoKα","","0.0289","0.0196","","","0.0483","0.0536","","","","","","0.995","","","","has coordinates","153132","2020-10-21","18:00:00",""
"7221055","20.5415","0.0007","20.5415","0.0007","20.5415","0.0007","90","","90","","90","","8667.6","0.5","298","2","298.15","","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C30 H18 Cd3 Cl0.5 N24 Na0.5 O6 -","- C120 H72 Cd12 Cl2 N96 Na2 O24 -","- C240 H144 Cd24 Cl4 N192 Na4 O48 -","2","0.0833333","","Zheng, Bao-Hua; Hao, Xue-Na; An, Bo; Qiao, Jin-Zhong; Hu, Tuo-Ping","Ion template effects of 4,5-dicyanoimidazole in the assembly of a series of 3D bimetallic coordination networks","CrystEngComm","2015","17","32","6103","","10.1039/C5CE01097G","","","0.71073","MoKα","","0.0311","0.0278","","","0.0635","0.0651","","","","","","1.185","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221056","20.6279","0.0005","20.6279","0.0005","20.6279","0.0005","90","","90","","90","","8777.4","0.4","298","2","298.15","","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C20 H12 Cd2 I0.33 N16 Na0.33 O4 -","- C20 H12 Cd2 I0.333333 N16 Na0.333333 O4 -","- C240 H144 Cd24 I4 N192 Na4 O48 -","12","0.5","","Zheng, Bao-Hua; Hao, Xue-Na; An, Bo; Qiao, Jin-Zhong; Hu, Tuo-Ping","Ion template effects of 4,5-dicyanoimidazole in the assembly of a series of 3D bimetallic coordination networks","CrystEngComm","2015","17","32","6103","","10.1039/C5CE01097G","","","0.71073","MoKα","","0.0263","0.0206","","","0.0495","0.0525","","","","","","1.094","","","","has coordinates","153132","2020-10-21","18:00:00",""
"7221057","20.6298","0.0003","20.6298","0.0003","20.6298","0.0003","90","","90","","90","","8779.8","0.2","298","2","296.15","","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C60 H36 Cd6 Cl N48 O12 Rb -","- C60 H36 Cd6 Cl N48 O12 Rb -","- C240 H144 Cd24 Cl4 N192 O48 Rb4 -","4","0.166667","","Zheng, Bao-Hua; Hao, Xue-Na; An, Bo; Qiao, Jin-Zhong; Hu, Tuo-Ping","Ion template effects of 4,5-dicyanoimidazole in the assembly of a series of 3D bimetallic coordination networks","CrystEngComm","2015","17","32","6103","","10.1039/C5CE01097G","","","0.71073","MoKα","","0.0264","0.0209","","","0.0524","0.0558","","","","","","1.102","","","","has coordinates","153132","2020-10-21","18:00:00",""
"7221058","20.6704","0.0005","20.6704","0.0005","20.6704","0.0005","90","","90","","90","","8831.7","0.4","296","2","296.15","","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C3.93 H0.02 Br0.07 Cd0.39 N3.15 O0.79 Rb0.07 -","- C20 H12 Br0.333333 Cd2 N16 O4 Rb0.333333 -","- C240 H144 Br4 Cd24 N192 O48 Rb4 -","12","0.5","","Zheng, Bao-Hua; Hao, Xue-Na; An, Bo; Qiao, Jin-Zhong; Hu, Tuo-Ping","Ion template effects of 4,5-dicyanoimidazole in the assembly of a series of 3D bimetallic coordination networks","CrystEngComm","2015","17","32","6103","","10.1039/C5CE01097G","","","0.71073","MoKα","","0.0351","0.0262","","","0.0631","0.0672","","","","","","1.109","","","","has coordinates","153132","2020-10-21","18:00:00",""
"7221059","20.7438","0.0004","20.7438","0.0004","20.7438","0.0004","90","","90","","90","","8926.2","0.3","296","2","296.15","","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C H Cd I N O Rb -","- C4 H2.4 Cd0.4 I0.0666667 N3.2 O0.8 Rb0.0666667 -","- C240 H144 Cd24 I4 N192 O48 Rb4 -","60","2.5","","Zheng, Bao-Hua; Hao, Xue-Na; An, Bo; Qiao, Jin-Zhong; Hu, Tuo-Ping","Ion template effects of 4,5-dicyanoimidazole in the assembly of a series of 3D bimetallic coordination networks","CrystEngComm","2015","17","32","6103","","10.1039/C5CE01097G","","","0.71073","MoKα","","0.028","0.0204","","","0.0446","0.0481","","","","","","1.047","","","","has coordinates","153132","2020-10-21","18:00:00",""
"7221060","20.7166","0.0004","20.7166","0.0004","20.7166","0.0004","90","","90","","90","","8891.1","0.3","296","2","296.15","","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C60 H36 Cd6 I K N48 O12 -","- C60 H36 Cd6 I K N48 O12 -","- C240 H144 Cd24 I4 K4 N192 O48 -","4","0.166667","","Zheng, Bao-Hua; Hao, Xue-Na; An, Bo; Qiao, Jin-Zhong; Hu, Tuo-Ping","Ion template effects of 4,5-dicyanoimidazole in the assembly of a series of 3D bimetallic coordination networks","CrystEngComm","2015","17","32","6103","","10.1039/C5CE01097G","","","0.71073","MoKα","","0.0278","0.0203","","","0.0441","0.0479","","","","","","1.07","","","","has coordinates","153132","2020-10-21","18:00:00",""
"7221061","10.8092","0.0015","10.8092","0.0015","12.501","0.003","90","","90","","90","","1460.6","0.5","293","2","293","2","","","","","","","","6","P 42/m b c","-P 4c 2ab","135","","","","- C10 H10 Cr Gd N2 O12 -","- C10 H10 Cr Gd N2 O12 -","- C40 H40 Cr4 Gd4 N8 O48 -","4","0.25","","Liu, Sui-Jun; Xie, Xin-Rong; Zheng, Teng-Fei; Bao, Jun; Liao, Jin-Sheng; Chen, Jing-Lin; Wen, He-Rui","Three-dimensional two-fold interpenetrated CrIII‒GdIIIheterometallic framework as an attractive cryogenic magnetorefrigerant","CrystEngComm","2015","17","38","7270","","10.1039/C5CE00997A","","","0.71073","MoKα","","0.0537","0.0487","","","0.0884","0.0906","","","","","","1.167","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221120","9.718","0.0005","10.2978","0.0005","12.2586","0.0005","89.871","0.004","80.34","0.004","74.104","0.004","1161.89","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H17 Cl2 N5 O11 -","- C20 H17 Cl2 N5 O11 -","- C40 H34 Cl4 N10 O22 -","2","1","","Yong, Guo-Ping; Shen, Chen; Feng, Ya; Zhang, Xue-Rui; Zhao, Yu-Mei","Positional isomerism in triarylmethyl carbocation radical salts: positional isomeric effects, crystal structures and properties","CrystEngComm","2015","17","33","6338","","10.1039/C5CE00172B","","","0.71073","MoKα","","0.1103","0.0973","","","0.2217","0.2281","","","","","","1.047","","","","has coordinates","171081","2020-10-21","18:00:00",""
"7221121","8.9344","0.0002","18.8814","0.0006","14.142","0.0004","90","","90.449","0.002","90","","2385.6","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 Cl2 N5 O11 -","- C20 H17 Cl2 N5 O11 -","- C80 H68 Cl8 N20 O44 -","4","1","","Yong, Guo-Ping; Shen, Chen; Feng, Ya; Zhang, Xue-Rui; Zhao, Yu-Mei","Positional isomerism in triarylmethyl carbocation radical salts: positional isomeric effects, crystal structures and properties","CrystEngComm","2015","17","33","6338","","10.1039/C5CE00172B","","","0.71073","MoKα","","0.1088","0.0711","","","0.1794","0.204","","","","","","1.066","","","","has coordinates","171081","2020-10-21","18:00:00",""
"7221122","32.842","0.007","8.4292","0.0017","17.392","0.004","90","","103.11","0.03","90","","4689.2","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H17 Cl2 N5 O11 -","- C20 H17 Cl2 N5 O11 -","- C160 H136 Cl16 N40 O88 -","8","1","","Yong, Guo-Ping; Shen, Chen; Feng, Ya; Zhang, Xue-Rui; Zhao, Yu-Mei","Positional isomerism in triarylmethyl carbocation radical salts: positional isomeric effects, crystal structures and properties","CrystEngComm","2015","17","33","6338","","10.1039/C5CE00172B","","","0.71073","MoKα","","0.0813","0.0714","","","0.191","0.2012","","","","","","1.068","","","","has coordinates","171081","2020-10-21","18:00:00",""
"7221123","7.141","0.002","17.151","0.004","20.891","0.005","90","","99.18","0.03","90","","2525.9","1.1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetrathiafulvalene 9-dicyanomethylene-2,7-dinitrofluorene acetonitrile monosolvate","","- C24 H13 N5 O4 S4 -","- C24 H13 N5 O4 S4 -","- C96 H52 N20 O16 S16 -","4","1","","Salmerón-Valverde, Amparo; Bernès, Sylvain","Crystal growth and characterization of solvated organic charge-transfer complexes built on TTF and 9-dicyanomethylenefluorene derivatives","CrystEngComm","2015","17","32","6227","","10.1039/C5CE01059D","","","0.71073","MoKα","","0.1038","0.0664","","","0.1564","0.1773","","","","","","1.096","","","","has coordinates","153130","2020-10-21","18:00:00",""
"7221124","7.3769","0.0011","9.3811","0.0009","18.9293","0.0019","81.218","0.007","88.805","0.01","75.958","0.01","1255.8","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Tetrathiafulvalene 9-dicyanomethylene-2,7-dinitrofluorene chlorobenzene hemisolvate","","- C25 H12.5 Cl0.5 N4 O4 S4 -","- C25 H12.5 Cl0.5 N4 O4 S4 -","- C50 H25 Cl N8 O8 S8 -","2","1","","Salmerón-Valverde, Amparo; Bernès, Sylvain","Crystal growth and characterization of solvated organic charge-transfer complexes built on TTF and 9-dicyanomethylenefluorene derivatives","CrystEngComm","2015","17","32","6227","","10.1039/C5CE01059D","","","0.71073","MoKα","","0.0762","0.0408","","","0.0921","0.1098","","","","","","1.014","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221125","7.1635","0.0016","19.881","0.004","37.705","0.008","90","","90","","90","","5370","2","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Tetrathiafulvalene 9-dicyanomethylene-2,4,7-trinitrofluorene acetonitrile monosolvate","","- C24 H12 N6 O6 S4 -","- C24 H12 N6 O6 S4 -","- C192 H96 N48 O48 S32 -","8","1","","Salmerón-Valverde, Amparo; Bernès, Sylvain","Crystal growth and characterization of solvated organic charge-transfer complexes built on TTF and 9-dicyanomethylenefluorene derivatives","CrystEngComm","2015","17","32","6227","","10.1039/C5CE01059D","","","0.71073","MoKα","","0.1039","0.057","","","0.1404","0.1647","","","","","","1.029","","","","has coordinates,has disorder","153130","2020-10-21","18:00:00",""
"7221126","7.1682","0.0015","19.902","0.006","37.805","0.009","90","","90","","90","","5393","2","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Tetrathiafulvalene 9-dicyanomethylene-2,4,7-trinitrofluorene acetone hemisolvate","","- C23.5 H12 N5 O6.5 S4 -","- C23.5 H12 N5 O6.5 S4 -","- C188 H96 N40 O52 S32 -","8","1","","Salmerón-Valverde, Amparo; Bernès, Sylvain","Crystal growth and characterization of solvated organic charge-transfer complexes built on TTF and 9-dicyanomethylenefluorene derivatives","CrystEngComm","2015","17","32","6227","","10.1039/C5CE01059D","","","0.71073","MoKα","","0.1109","0.0621","","","0.1472","0.1848","","","","","","1.092","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7221127","15.9432","0.0014","12.1351","0.0009","13.5738","0.0011","90","","104.572","0.007","90","","2541.7","0.4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tetrathiafulvalene 9-dicyanomethylene-4,5,7-trinitrofluorene-2-carboxylic acid monohydrate","","- C23 H11 N5 O9 S4 -","- C23 H11 N5 O9 S4 -","- C92 H44 N20 O36 S16 -","4","0.5","","Salmerón-Valverde, Amparo; Bernès, Sylvain","Crystal growth and characterization of solvated organic charge-transfer complexes built on TTF and 9-dicyanomethylenefluorene derivatives","CrystEngComm","2015","17","32","6227","","10.1039/C5CE01059D","","","0.71073","MoKα","","0.0647","0.0547","","","0.1448","0.1511","","","","","","1.064","","","","has coordinates,has disorder","153130","2020-10-21","18:00:00",""
"7221128","10.0608","0.001","10.3528","0.0011","15.612","0.002","107.535","0.008","100.525","0.009","90.877","0.008","1520.2","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","tris(Tetrathiafulvalene) bis(9-dicyanomethylene-4,5,7-trinitrofluorene-2-carboxylic acid) acetonitrile disolvate","","- C56 H28 N12 O16 S12 -","- C56 H28 N12 O16 S12 -","- C56 H28 N12 O16 S12 -","1","0.5","","Salmerón-Valverde, Amparo; Bernès, Sylvain","Crystal growth and characterization of solvated organic charge-transfer complexes built on TTF and 9-dicyanomethylenefluorene derivatives","CrystEngComm","2015","17","32","6227","","10.1039/C5CE01059D","","","0.71073","MoKα","","0.0862","0.0569","","","0.1385","0.1567","","","","","","1.059","","","","has coordinates","153130","2020-10-21","18:00:00",""
"7221129","14.4612","0.0003","22.9608","0.0005","26.3393","0.0007","75.41","0.002","77.11","0.002","87.87","0.002","8248.7","0.3","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C298 H344 Gd2 N12 O114 P4 S16 -","- C298 H240 Gd2 N12 O114 P4 S16 -","- C298 H240 Gd2 N12 O114 P4 S16 -","1","0.5","","Ling, Irene; Sobolev, Alexandre N.; Sabah, Karem; Hashim, Rauzah","Efficient packing of long flexible bis-imidazolium cations in the ubiquitous bilayers of their p-sulfonatocalixarene salts","CrystEngComm","2015","17","30","5841","","10.1039/C5CE00994D","","","1.54178","CuKα","","0.0993","0.0852","","","0.2198","0.2328","","","","","","1.021","","","","has coordinates,has disorder","153102","2020-10-21","18:00:00",""
"7221130","12.7595","0.0006","18.6525","0.0012","20.5628","0.0012","94.553","0.005","100.514","0.004","106.892","0.005","4558.3","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C179 H188 La N10 O52 P2 S8 -","- C179 H152 La N10 O52 P2 S8 -","- C179 H152 La N10 O52 P2 S8 -","1","0.5","","Ling, Irene; Sobolev, Alexandre N.; Sabah, Karem; Hashim, Rauzah","Efficient packing of long flexible bis-imidazolium cations in the ubiquitous bilayers of their p-sulfonatocalixarene salts","CrystEngComm","2015","17","30","5841","","10.1039/C5CE00994D","","","1.54178","CuKα","","0.2533","0.1607","","","0.3545","0.4141","","","","","","1.058","","","","has coordinates,has disorder","153102","2020-10-21","18:00:00",""
"7221131","14.082","0.0002","19.2969","0.0004","30.278","0.0008","86.912","0.002","79.794","0.002","78.073","0.002","7921.4","0.3","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C140 H180 Gd2 N4 O63 P2 S8 -","- C140 H116 Gd2 N4 O63 P2 S8 -","- C280 H232 Gd4 N8 O126 P4 S16 -","2","1","","Ling, Irene; Sobolev, Alexandre N.; Sabah, Karem; Hashim, Rauzah","Efficient packing of long flexible bis-imidazolium cations in the ubiquitous bilayers of their p-sulfonatocalixarene salts","CrystEngComm","2015","17","30","5841","","10.1039/C5CE00994D","","","1.54178","CuKα","","0.1598","0.145","","","0.3709","0.3824","","","","","","1.002","","","","has coordinates,has disorder","153102","2020-10-21","18:00:00",""
"7221132","19.6775","0.0018","7.2816","0.0009","6.0174","0.0006","90","","96.137","0.009","90","","857.25","0.16","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 O4 -","- C22 H22 O4 -","- C44 H44 O8 -","2","0.5","","Ling, Irene; Sobolev, Alexandre N.; Sabah, Karem; Hashim, Rauzah","Efficient packing of long flexible bis-imidazolium cations in the ubiquitous bilayers of their p-sulfonatocalixarene salts","CrystEngComm","2015","17","30","5841","","10.1039/C5CE00994D","","","1.54178","CuKα","","0.0734","0.0554","","","0.1322","0.1456","","","","","","1.005","","","","has coordinates,has disorder","153102","2020-10-21","18:00:00",""
"7221133","17.6212","0.0004","17.6212","0.0004","71.599","0.002","90","","90","","120","","19253.4","0.8","150","2","150","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C90 H152 Cd7 I12 N22 O8 -","- C90 H150 Cd7 I12 N22 O8 -","- C540 H900 Cd42 I72 N132 O48 -","6","0.166667","","Yan, Feng; Zhuang, Xiao-Mei; Lu, Tong-Bu","Synthesis and structures of dinuclear cryptates with Zn(ii), Cd(ii) and Hg(ii): tuning the cascade binding mode with metal ions","CrystEngComm","2015","17","30","5832","","10.1039/C5CE00817D","","","0.71073","MoKα","","0.0337","0.0308","","","0.0738","0.0754","","","","","","1.005","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221134","10.1322","0.0014","18.536","0.002","26.333","0.004","90","","99.012","0.002","90","","4884.6","1.1","163","2","163","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C36 H63 Cd3 Cl6 N8 O4.5 -","- C36 H54 Cd3 Cl6 N8 O4.5 -","- C144 H216 Cd12 Cl24 N32 O18 -","4","1","","Yan, Feng; Zhuang, Xiao-Mei; Lu, Tong-Bu","Synthesis and structures of dinuclear cryptates with Zn(ii), Cd(ii) and Hg(ii): tuning the cascade binding mode with metal ions","CrystEngComm","2015","17","30","5832","","10.1039/C5CE00817D","","","0.71073","MoKα","","0.052","0.0459","","","0.1213","0.1272","","","","","","1.063","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221135","9.671","0.0001","33.8375","0.0004","14.2619","0.0002","90","","93.22","0.001","90","","4659.73","0.1","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H57 Br6 Cd3 N8 O1.5 -","- C36 H54 Br6 Cd3 N8 O1.5 -","- C144 H216 Br24 Cd12 N32 O6 -","4","1","","Yan, Feng; Zhuang, Xiao-Mei; Lu, Tong-Bu","Synthesis and structures of dinuclear cryptates with Zn(ii), Cd(ii) and Hg(ii): tuning the cascade binding mode with metal ions","CrystEngComm","2015","17","30","5832","","10.1039/C5CE00817D","","","1.54178","CuKα","","0.0467","0.0413","","","0.0976","0.1003","","","","","","1.147","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7221136","13.149","0.005","14.006","0.005","15.694","0.006","87.296","0.007","66.076","0.007","81.938","0.006","2615.7","1.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H67 Cl4 N11 O14 Zn2 -","- C42 H63 Cl4 N11 O14 Zn2 -","- C84 H126 Cl8 N22 O28 Zn4 -","2","1","","Yan, Feng; Zhuang, Xiao-Mei; Lu, Tong-Bu","Synthesis and structures of dinuclear cryptates with Zn(ii), Cd(ii) and Hg(ii): tuning the cascade binding mode with metal ions","CrystEngComm","2015","17","30","5832","","10.1039/C5CE00817D","","","0.71073","MoKα","","0.1103","0.055","","","0.137","0.1651","","","","","","1.012","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221137","13.253","0.004","14.04","0.005","15.795","0.005","87.47","0.006","65.997","0.006","82.199","0.006","2659.8","1.5","291","2","291","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H67 Br Cl3 N11 O14 Zn2 -","- C42 H67 Br Cl3 N11 O14 Zn2 -","- C84 H134 Br2 Cl6 N22 O28 Zn4 -","2","1","","Yan, Feng; Zhuang, Xiao-Mei; Lu, Tong-Bu","Synthesis and structures of dinuclear cryptates with Zn(ii), Cd(ii) and Hg(ii): tuning the cascade binding mode with metal ions","CrystEngComm","2015","17","30","5832","","10.1039/C5CE00817D","","","0.71073","MoKα","","0.1004","0.0554","","","0.1537","0.1823","","","","","","1.033","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221138","10.0947","0.0003","18.4694","0.0005","26.2626","0.0007","90","","99.587","0.003","90","","4828.1","0.2","150","0.1","150","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H58 Cl6 Hg3 N8 O2 -","- C36 H58 Cl6 Hg3 N8 O2 -","- C144 H232 Cl24 Hg12 N32 O8 -","4","0.5","","Yan, Feng; Zhuang, Xiao-Mei; Lu, Tong-Bu","Synthesis and structures of dinuclear cryptates with Zn(ii), Cd(ii) and Hg(ii): tuning the cascade binding mode with metal ions","CrystEngComm","2015","17","30","5832","","10.1039/C5CE00817D","","x-ray","1.54184","CuKα","","0.0603","0.049","","","0.1264","0.1349","","","","","","1.052","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221139","9.641","0.0002","33.6643","0.0007","14.2372","0.0003","90","","92.897","0.002","90","","4614.88","0.17","150.01","0.1","150.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H56.5 Br6 Hg3 N8 O1.25 -","- C36 H54 Br6 Hg3 N8 O1.25 -","- C144 H216 Br24 Hg12 N32 O5 -","4","1","","Yan, Feng; Zhuang, Xiao-Mei; Lu, Tong-Bu","Synthesis and structures of dinuclear cryptates with Zn(ii), Cd(ii) and Hg(ii): tuning the cascade binding mode with metal ions","CrystEngComm","2015","17","30","5832","","10.1039/C5CE00817D","","","1.54178","CuKα","","0.0542","0.0407","","","0.089","0.0954","","","","","","1.036","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221140","17.4241","0.0003","10.4127","0.0003","26.497","0.001","90","","90","","90","","4807.4","0.2","150","0.1","150","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C36 H66 Hg2 I N11 O15 -","- C36 H54 Hg2 I N11 O15 -","- C144 H216 Hg8 I4 N44 O60 -","4","1","","Yan, Feng; Zhuang, Xiao-Mei; Lu, Tong-Bu","Synthesis and structures of dinuclear cryptates with Zn(ii), Cd(ii) and Hg(ii): tuning the cascade binding mode with metal ions","CrystEngComm","2015","17","30","5832","","10.1039/C5CE00817D","","","1.54184","CuKα","","0.0393","0.0365","","","0.088","0.0909","","","","","","1.048","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221147","20.7929","0.0008","12.4871","0.0007","19.5025","0.0009","90","","97.329","0.004","90","","5022.3","0.4","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C42 H52.5 Cu3 N4 O22.25 -","- C42 H38 Cu3 N4 O16.125 -","- C168 H152 Cu12 N16 O64.5 -","4","1","","Xu, Zhong-Xuan; Wu, Xin; Liu, Juan; Kang, Yao; Zhang, Jian","Synthesis and gas sorption properties of a homochiral metal‒organic framework with octahedral cages","CrystEngComm","2015","17","32","6107","","10.1039/C5CE01094B","","","1.54184","CuKα","","0.0668","0.0549","","","0.133","0.1418","","","","","","1.108","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221148","7.2953","0.0002","17.2658","0.0005","28.4236","0.0007","90","","90","","90","","3580.21","0.17","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H15 Cu N3 O7 -","- C18 H15 Cu N3 O7 -","- C144 H120 Cu8 N24 O56 -","8","1","","Llano-Tomé, Francisco; Bazán, Begoña; Urtiaga, M. Karmele; Barandika, Gotzone; Fidalgo-Marijuan, Arkaitz; Fernández de Luis, Roberto; Arriortua, María I.","Water-induced phase transformation of a CuIIcoordination framework with pyridine-2,5-dicarboxylate and di-2-pyridyl ketone: synchrotron radiation analysis","CrystEngComm","2015","17","33","6346","","10.1039/C5CE01033K","","","1.5418","CuKα","","0.0494","0.039","","","0.1032","0.1122","","","","","","0.855","","","","has coordinates","171079","2020-10-21","18:00:00",""
"7221149","7.497","0.0005","19.8283","0.0016","23.844","0.0018","90","","90","","90","","3544.5","0.5","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H13 Cu N3 O6 -","- C18 H13 Cu N3 O6 -","- C144 H104 Cu8 N24 O48 -","8","1","","Llano-Tomé, Francisco; Bazán, Begoña; Urtiaga, M. Karmele; Barandika, Gotzone; Fidalgo-Marijuan, Arkaitz; Fernández de Luis, Roberto; Arriortua, María I.","Water-induced phase transformation of a CuIIcoordination framework with pyridine-2,5-dicarboxylate and di-2-pyridyl ketone: synchrotron radiation analysis","CrystEngComm","2015","17","33","6346","","10.1039/C5CE01033K","powder diffraction","x-ray","0.827","","","0.1045","0.1031","","0.0976","0.0972","","","","2.84","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221150","14.521","0.003","7.7378","0.0015","15.997","0.003","90","","106.4","0.03","90","","1724.3","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 N4 O5 Zn -","- C16 H16 N4 O5 Zn -","- C64 H64 N16 O20 Zn4 -","4","1","","Lee, Li-Wei; Luo, Tzuoo-Tsair; Lo, Sheng-Han; Lee, Gene-Hsiang; Peng, Shie-Ming; Liu, Yen-Hsiang; Lee, Sheng-Long; Lu, Kuang-Lieh","Pillared-bilayer zinc(ii)‒organic laminae: pore modification and selective gas adsorption","CrystEngComm","2015","17","33","6320","","10.1039/C5CE00923E","","","0.71073","MoKα","","0.0535","0.0424","","","0.0988","0.1034","","","","","","1.079","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221151","16.0364","0.0006","7.6528","0.0003","35.3947","0.0014","90","","99.7638","0.0013","90","","4280.8","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41.5 H44.5 N9.5 O12.5 Zn2 -","- C41.5 H44.5 N9.5 O12.5 Zn2 -","- C166 H178 N38 O50 Zn8 -","4","1","","Lee, Li-Wei; Luo, Tzuoo-Tsair; Lo, Sheng-Han; Lee, Gene-Hsiang; Peng, Shie-Ming; Liu, Yen-Hsiang; Lee, Sheng-Long; Lu, Kuang-Lieh","Pillared-bilayer zinc(ii)‒organic laminae: pore modification and selective gas adsorption","CrystEngComm","2015","17","33","6320","","10.1039/C5CE00923E","","","0.71073","MoKα","","0.0852","0.0518","","","0.1497","0.1744","","","","","","1.022","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7221152","16.9909","0.0015","7.6688","0.0007","16.0077","0.0015","90","","102.322","0.002","90","","2037.8","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32.3 H29.45 N9.15 O10 Zn2 -","- C32.3 H29.45 N9.15 O10 Zn2 -","- C64.6 H58.9 N18.3 O20 Zn4 -","2","0.5","","Lee, Li-Wei; Luo, Tzuoo-Tsair; Lo, Sheng-Han; Lee, Gene-Hsiang; Peng, Shie-Ming; Liu, Yen-Hsiang; Lee, Sheng-Long; Lu, Kuang-Lieh","Pillared-bilayer zinc(ii)‒organic laminae: pore modification and selective gas adsorption","CrystEngComm","2015","17","33","6320","","10.1039/C5CE00923E","","","0.71073","MoKα","","0.124","0.0851","","","0.2369","0.2651","","","","","","1.136","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7221527","12.6305","0.0012","14.5753","0.0007","22.114","0.003","93.228","0.006","100.746","0.009","98.776","0.006","3937.7","0.7","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C42 H0 Cl0 Cu3 N3 O21 P3 -","- C42 H24 Cu3 N3 O21 P3 -","- C84 H48 Cu6 N6 O42 P6 -","2","1","","Ling, Yajing; Song, Chengling; Feng, Yunlong; Zhang, Mingxing; He, Yabing","A metal‒organic framework based on cyclotriphosphazene-functionalized hexacarboxylate for selective adsorption of CO2and C2H6over CH4at room temperature","CrystEngComm","2015","17","33","6314","","10.1039/C5CE00930H","","","1.54184","CuKα","","0.2527","0.1921","","","0.4431","0.491","","","","","","1.106","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221528","9.3226","0.0009","12.5095","0.0012","18.7848","0.0018","90","","94.335","0.002","90","","2184.4","0.4","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H26 Br2 N6 O12 U2 -","- C46 H26 Br2 N6 O12 U2 -","- C92 H52 Br4 N12 O24 U4 -","2","0.5","","Thangavelu, Sonia G.; Pope, Simon J. A.; Cahill, Christopher L.","Synthetic, structural, and luminescence study of uranyl coordination polymers containing chelating terpyridine and trispyridyltriazine ligands","CrystEngComm","2015","17","32","6236","","10.1039/C5CE00984G","","","0.71073","MoKα","","0.0269","0.0202","","","0.0417","0.0436","","","","","","1.087","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221529","9.2926","0.0003","12.5893","0.0005","18.697","0.0007","90","","95.618","0.001","90","","2176.81","0.14","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H26 Cl2 N6 O12 U2 -","- C46 H26 Cl2 N6 O12 U2 -","- C92 H52 Cl4 N12 O24 U4 -","2","0.5","","Thangavelu, Sonia G.; Pope, Simon J. A.; Cahill, Christopher L.","Synthetic, structural, and luminescence study of uranyl coordination polymers containing chelating terpyridine and trispyridyltriazine ligands","CrystEngComm","2015","17","32","6236","","10.1039/C5CE00984G","","","0.71073","MoKα","","0.0297","0.0211","","","0.0405","0.0428","","","","","","1.083","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221530","8.0743","0.0009","11.9715","0.0014","15.0411","0.0017","106.612","0.001","102.208","0.001","100.75","0.001","1313.5","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H30 Br2 N12 O14 U2 -","- C52 H30 Br2 N12 O14 U2 -","- C52 H30 Br2 N12 O14 U2 -","1","0.5","","Thangavelu, Sonia G.; Pope, Simon J. A.; Cahill, Christopher L.","Synthetic, structural, and luminescence study of uranyl coordination polymers containing chelating terpyridine and trispyridyltriazine ligands","CrystEngComm","2015","17","32","6236","","10.1039/C5CE00984G","","","0.71073","MoKα","","0.0823","0.046","","","0.1062","0.1217","","","","","","0.977","","","","has coordinates","153131","2020-10-21","18:00:00",""
"7221531","8.0819","0.0006","12.6732","0.001","13.3764","0.001","100.472","0.001","91.219","0.001","98.444","0.001","1331.01","0.18","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H30 Cl2 N12 O16 U2 -","- C52 H30 Cl2 N12 O16 U2 -","- C52 H30 Cl2 N12 O16 U2 -","1","0.5","","Thangavelu, Sonia G.; Pope, Simon J. A.; Cahill, Christopher L.","Synthetic, structural, and luminescence study of uranyl coordination polymers containing chelating terpyridine and trispyridyltriazine ligands","CrystEngComm","2015","17","32","6236","","10.1039/C5CE00984G","","","0.71073","MoKα","","0.0744","0.0434","","","0.0783","0.0873","","","","","","1.029","","","","has coordinates","153131","2020-10-21","18:00:00",""
"7221532","10.534","0.0008","11.5475","0.0008","13.4109","0.001","68.203","0.001","77.871","0.001","87.132","0.001","1480.17","0.19","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H46 I2 N12 O14 U2 -","- C58 H46 I2 N12 O14 U2 -","- C58 H46 I2 N12 O14 U2 -","1","0.5","","Thangavelu, Sonia G.; Pope, Simon J. A.; Cahill, Christopher L.","Synthetic, structural, and luminescence study of uranyl coordination polymers containing chelating terpyridine and trispyridyltriazine ligands","CrystEngComm","2015","17","32","6236","","10.1039/C5CE00984G","","","0.71073","MoKα","","0.0549","0.042","","","0.1037","0.1105","","","","","","1.069","","","","has coordinates","153131","2020-10-21","18:00:00",""
"7221533","7.9974","0.0013","12.0617","0.0019","14.965","0.002","106.548","0.002","101.601","0.002","101.362","0.002","1304.9","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H36 N12 O14 U2 -","- C54 H36 N12 O14 U2 -","- C54 H36 N12 O14 U2 -","1","0.5","","Thangavelu, Sonia G.; Pope, Simon J. A.; Cahill, Christopher L.","Synthetic, structural, and luminescence study of uranyl coordination polymers containing chelating terpyridine and trispyridyltriazine ligands","CrystEngComm","2015","17","32","6236","","10.1039/C5CE00984G","","","0.71073","MoKα","","0.0603","0.0473","","","0.116","0.1231","","","","","","1.02","","","","has coordinates","153131","2020-10-21","18:00:00",""
"7221534","9.314","0.004","10.897","0.005","14.017","0.006","67.557","0.006","77.931","0.007","85.379","0.007","1285.8","1","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H28 N12 O16 S2 U2 -","- C48 H28 N12 O16 S2 U2 -","- C48 H28 N12 O16 S2 U2 -","1","0.5","","Thangavelu, Sonia G.; Pope, Simon J. A.; Cahill, Christopher L.","Synthetic, structural, and luminescence study of uranyl coordination polymers containing chelating terpyridine and trispyridyltriazine ligands","CrystEngComm","2015","17","32","6236","","10.1039/C5CE00984G","","","0.71073","MoKα","","0.0529","0.0333","","","0.0623","0.0681","","","","","","1.016","","","","has coordinates","153131","2020-10-21","18:00:00",""
"7221546","7.6202","0.0008","19.01","0.003","10.1116","0.0008","90","","90.388","0.008","90","","1464.7","0.3","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","Metacetamol, 3-Acetamidophenol","N-(3-Hydroxyphenyl)acetamide","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C64 H72 N8 O16 -","8","4","","McGregor, Lindsay; Rychkov, Denis A.; Coster, Paul L.; Day, Sarah; Drebushchak, Valeri A.; Achkasov, Andrei F.; Nichol, Gary S.; Pulham, Colin R.; Boldyreva, Elena V.","A new polymorph of metacetamol","CrystEngComm","2015","17","32","6183","","10.1039/C5CE00910C","","x-ray","1.54178","CuKα","","0.1251","0.1094","","","0.3354","0.3476","","","","","","1.055","","","","has coordinates","153129","2020-10-21","18:00:00",""
"7221547","4.789","0.004","25.136","0.019","17.087","0.013","90","","90","","90","","2057","3","90","","90","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H9 F12 N5 O -","- C20 H9 F12 N5 O -","- C80 H36 F48 N20 O4 -","4","1","","Hagihara, Ryusuke; Harada, Naomi; Karasawa, Satoru; Koga, Noboru","Crystalline transformations of dinaphthyridinylamine derivatives with alteration of solid-state emission in response to external stimuli","CrystEngComm","2015","17","46","8825","","10.1039/C5CE01126D","","","0.71075","MoKα","","0.117","0.0717","","","0.1552","0.1719","","","","","","1.084","","","","has coordinates","173747","2020-10-21","18:00:00",""
"7221548","10.1185","0.0018","11.019","0.002","22.947","0.004","90","","90","","90","","2558.5","0.8","90","","90","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H11 F12 N5 -","- C26 H11 F12 N5 -","- C104 H44 F48 N20 -","4","1","","Hagihara, Ryusuke; Harada, Naomi; Karasawa, Satoru; Koga, Noboru","Crystalline transformations of dinaphthyridinylamine derivatives with alteration of solid-state emission in response to external stimuli","CrystEngComm","2015","17","46","8825","","10.1039/C5CE01126D","","","0.71075","MoKα","","0.0881","0.0767","","","0.2019","0.2194","","","","","","0.985","","","","has coordinates","173747","2020-10-21","18:00:00",""
"7221549","35.203","0.015","4.925","0.002","30.419","0.013","90","","90","","90","","5274","4","90","","90","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C27 H15 F12 N5 O -","- C27 H15 F12 N5 O -","- C216 H120 F96 N40 O8 -","8","2","","Hagihara, Ryusuke; Harada, Naomi; Karasawa, Satoru; Koga, Noboru","Crystalline transformations of dinaphthyridinylamine derivatives with alteration of solid-state emission in response to external stimuli","CrystEngComm","2015","17","46","8825","","10.1039/C5CE01126D","","","0.71075","MoKα","","0.163","0.0706","","","0.1403","0.189","","","","","","1.01","","","","has coordinates","173747","2020-10-21","18:00:00",""
"7221550","15.5721","0.0011","15.585","0.0011","15.7385","0.0011","66.294","0.001","86.318","0.001","67.269","0.001","3206.8","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H50 Co2 N8 O19 S4 -","- C64 H44 Co2 N8 O19 S4 -","- C128 H88 Co4 N16 O38 S8 -","2","1","","Guo, Huadong; Yan, Yongnian; Wang, Nan; Guo, Xianmin; Zheng, Guoli; Qi, Yanjuan","A series of entangled coordination polymers assembled by a V-shaped bisimidazole ligand and various dicarboxylic acids: synthesis, characterization and luminescence properties","CrystEngComm","2015","17","34","6512","","10.1039/C5CE00903K","","","0.71073","MoKα","","0.0871","0.0513","","","0.1528","0.182","","","","","","1.02","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221566","10.7736","0.0002","15.2684","0.0003","18.6621","0.0003","90","","104.275","0.001","90","","2975.05","0.09","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 Br O -","- C19 H15 Br O -","- C152 H120 Br8 O8 -","8","2","","Knepper, Ingo; Seichter, Wilhelm; Skobridis, Konstantinos; Theodorou, Vassiliki; Weber, Edwin","Aspects of crystal engineering arising from packing behavior of functional mono para-substituted trityl compounds","CrystEngComm","2015","17","33","6355","","10.1039/C5CE00871A","","","0.71073","MoKα","","0.0408","0.0292","","","0.075","0.0801","","","","","","1.035","","","","has coordinates","171082","2020-10-21","18:00:00",""
"7221567","10.7837","0.0002","15.2773","0.0004","18.8871","0.0004","90","","104.273","0.001","90","","3015.52","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 Br N -","- C19 H16 Br N -","- C152 H128 Br8 N8 -","8","2","","Knepper, Ingo; Seichter, Wilhelm; Skobridis, Konstantinos; Theodorou, Vassiliki; Weber, Edwin","Aspects of crystal engineering arising from packing behavior of functional mono para-substituted trityl compounds","CrystEngComm","2015","17","33","6355","","10.1039/C5CE00871A","","","0.71073","MoKα","","0.034","0.0272","","","0.0733","0.0782","","","","","","1.006","","","","has coordinates","171082","2020-10-21","18:00:00",""
"7221568","12.152","0.0003","13.7838","0.0003","9.579","0.0003","90","","90","","90","","1604.49","0.07","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H17 Br O -","- C20 H17 Br O -","- C80 H68 Br4 O4 -","4","1","","Knepper, Ingo; Seichter, Wilhelm; Skobridis, Konstantinos; Theodorou, Vassiliki; Weber, Edwin","Aspects of crystal engineering arising from packing behavior of functional mono para-substituted trityl compounds","CrystEngComm","2015","17","33","6355","","10.1039/C5CE00871A","","","0.71073","MoKα","","0.0273","0.0231","","","0.0578","0.0594","","","","","","0.94","","","","has coordinates","171082","2020-10-21","18:00:00",""
"7221569","8.9849","0.0006","5.7029","0.0003","17.1999","0.0011","90","","99.978","0.004","90","","867.99","0.09","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H20 O -","- C25 H20 O -","- C50 H40 O2 -","2","1","","Knepper, Ingo; Seichter, Wilhelm; Skobridis, Konstantinos; Theodorou, Vassiliki; Weber, Edwin","Aspects of crystal engineering arising from packing behavior of functional mono para-substituted trityl compounds","CrystEngComm","2015","17","33","6355","","10.1039/C5CE00871A","","","0.71073","MoKα","","0.0393","0.0358","","","0.0924","0.0952","","","","","","1.037","","","","has coordinates","171082","2020-10-21","18:00:00",""
"7221570","15.6058","0.0003","18.7804","0.0004","21.1189","0.0004","68.874","0.001","74.947","0.001","74.08","0.001","5462.16","0.19","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C25 H20 O -","- C25 H20 O -","- C300 H240 O12 -","12","6","","Knepper, Ingo; Seichter, Wilhelm; Skobridis, Konstantinos; Theodorou, Vassiliki; Weber, Edwin","Aspects of crystal engineering arising from packing behavior of functional mono para-substituted trityl compounds","CrystEngComm","2015","17","33","6355","","10.1039/C5CE00871A","","","0.71073","MoKα","","0.0873","0.0521","","","0.1254","0.1522","","","","","","1.005","","","","has coordinates","171082","2020-10-21","18:00:00",""
"7221571","11.328","0.005","5.042","0.002","15.578","0.007","90","","109.947","0.011","90","","836.4","0.6","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5-phenyl-2-formylpyrrole","5-phenyl-1H-pyrrole-2-carbaldehyde","","- C11 H9 N O -","- C11 H9 N O -","- C44 H36 N4 O4 -","4","1","","Figueira, Cláudia A.; Lopes, Patrícia S.; Gomes, Clara S. B.; Veiros, Luís F.; Gomes, Pedro T.","Exploring the influence of steric hindrance and electronic nature of substituents in the supramolecular arrangements of 5-(substituted phenyl)-2-formylpyrroles","CrystEngComm","2015","17","33","6406","","10.1039/C5CE00927H","","x-ray","0.71073","MoKα","","0.0603","0.0443","","","0.1191","0.1279","","","","","","1.065","","","","has coordinates","171085","2020-10-21","18:00:00",""
"7221572","8.0139","0.0018","13.509","0.002","10.342","0.002","90","","102.552","0.009","90","","1092.9","0.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","5-(3,5-dimethylphenyl)-2-formylpyrrole","5-(3,5-dimethylphenyl)-1H-pyrrole-2-carbaldehyde","","- C13 H13 N O -","- C13 H13 N O -","- C52 H52 N4 O4 -","4","1","","Figueira, Cláudia A.; Lopes, Patrícia S.; Gomes, Clara S. B.; Veiros, Luís F.; Gomes, Pedro T.","Exploring the influence of steric hindrance and electronic nature of substituents in the supramolecular arrangements of 5-(substituted phenyl)-2-formylpyrroles","CrystEngComm","2015","17","33","6406","","10.1039/C5CE00927H","","x-ray","0.71073","MoKα","","0.1782","0.1218","","","0.2843","0.2996","","","","","","0.897","","","","has coordinates","171085","2020-10-21","18:00:00",""
"7221573","13.086","0.002","4.7468","0.0007","19.887","0.003","90","","105.901","0.009","90","","1188","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","5-(3,5-bis(trifluoromethyl)phenyl)-2-formylpyrrole","5-(3,5-bis(trifluoromethyl)phenyl)-1H-pyrrole-2-carbaldehyde","","- C13 H7 F6 N O -","- C13 H7 F6 N O -","- C52 H28 F24 N4 O4 -","4","1","","Figueira, Cláudia A.; Lopes, Patrícia S.; Gomes, Clara S. B.; Veiros, Luís F.; Gomes, Pedro T.","Exploring the influence of steric hindrance and electronic nature of substituents in the supramolecular arrangements of 5-(substituted phenyl)-2-formylpyrroles","CrystEngComm","2015","17","33","6406","","10.1039/C5CE00927H","","x-ray","0.71073","MoKα","","0.0962","0.0446","","","0.0863","0.0972","","","","","","0.948","","","","has coordinates","171085","2020-10-21","18:00:00",""
"7221574","8.6799","0.0013","9.8371","0.0013","12.608","0.002","72.477","0.007","70.308","0.005","65.232","0.004","904.1","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","5-(2,4,6-triisopropylphenyl)-2-formylpyrrole","5-(2,4,6-triisopropylphenyl)-1H-pyrrole-2-carbaldehyde","","- C20 H27 N O -","- C20 H27 N O -","- C40 H54 N2 O2 -","2","1","","Figueira, Cláudia A.; Lopes, Patrícia S.; Gomes, Clara S. B.; Veiros, Luís F.; Gomes, Pedro T.","Exploring the influence of steric hindrance and electronic nature of substituents in the supramolecular arrangements of 5-(substituted phenyl)-2-formylpyrroles","CrystEngComm","2015","17","33","6406","","10.1039/C5CE00927H","","x-ray","0.71073","MoKα","","0.1054","0.0498","","","0.1036","0.1169","","","","","","0.942","","","","has coordinates,has disorder","171085","2020-10-21","18:00:00",""
"7221575","7.9115","0.0007","23.9817","0.0018","11.4591","0.001","90","","96.844","0.003","90","","2158.7","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5-(2,6-dimethylphenyl)-2-formylpyrrole","5-(2,6-dimethylphenyl)-1H-pyrrole-2-carbaldehyde","","- C13 H13 N O -","- C13 H13 N O -","- C104 H104 N8 O8 -","8","2","","Figueira, Cláudia A.; Lopes, Patrícia S.; Gomes, Clara S. B.; Veiros, Luís F.; Gomes, Pedro T.","Exploring the influence of steric hindrance and electronic nature of substituents in the supramolecular arrangements of 5-(substituted phenyl)-2-formylpyrroles","CrystEngComm","2015","17","33","6406","","10.1039/C5CE00927H","","x-ray","0.71073","MoKα","","0.1172","0.0521","","","0.0941","0.1098","","","","","","0.913","","","","has coordinates","171085","2020-10-21","18:00:00",""
"7221576","5.5376","0.0003","6.4429","0.0003","27.5008","0.0014","90","","90","","90","","981.18","0.09","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","5-(4-methoxyphenyl)-2-formylpyrrole","5-(4-methoxyphenyl)-1H-pyrrole-2-carbaldehyde","","- C12 H11 N O2 -","- C12 H11 N O2 -","- C48 H44 N4 O8 -","4","1","","Figueira, Cláudia A.; Lopes, Patrícia S.; Gomes, Clara S. B.; Veiros, Luís F.; Gomes, Pedro T.","Exploring the influence of steric hindrance and electronic nature of substituents in the supramolecular arrangements of 5-(substituted phenyl)-2-formylpyrroles","CrystEngComm","2015","17","33","6406","","10.1039/C5CE00927H","","x-ray","0.71073","MoKα","","0.0656","0.0426","","","0.0818","0.0879","","","","","","1.011","","","","has coordinates","171085","2020-10-21","18:00:00",""
"7221577","5.5758","0.0008","6.3791","0.0006","24.493","0.003","90","","90","","90","","871.18","0.18","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","5-(4-fluorophenyl)-2-formylpyrrole","5-(4-fluorophenyl)-1H-pyrrole-2-carbaldehyde","","- C11 H8 F N O -","- C11 H8 F N O -","- C44 H32 F4 N4 O4 -","4","1","","Figueira, Cláudia A.; Lopes, Patrícia S.; Gomes, Clara S. B.; Veiros, Luís F.; Gomes, Pedro T.","Exploring the influence of steric hindrance and electronic nature of substituents in the supramolecular arrangements of 5-(substituted phenyl)-2-formylpyrroles","CrystEngComm","2015","17","33","6406","","10.1039/C5CE00927H","","x-ray","0.71073","MoKα","","0.095","0.05","","","0.0785","0.0889","","","","","","0.948","","","","has coordinates","171085","2020-10-21","18:00:00",""
"7221578","10.331","0.002","13.446","0.003","16.673","0.003","90","","110.858","0.009","90","","2164.3","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 Cd N5 O8 S -","- C17 H21 Cd N5 O8 S -","- C68 H84 Cd4 N20 O32 S4 -","4","1","","Xue, Li-Ping; Li, Zhao-Hao; Ma, Lu-Fang; Wang, Li-Ya","Crystal engineering of cadmium coordination polymers decorated with nitro-functionalized thiophene-2,5-dicarboxylate and structurally related bis(imidazole) ligands with varying flexibility","CrystEngComm","2015","17","33","6441","","10.1039/C5CE01248A","","","0.71073","MoKα","","0.057","0.0507","","","0.1252","0.1296","","","","","","1.07","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221579","6.941","0.002","24.44","0.008","13.04","0.004","90","","107.867","0.013","90","","2105.4","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 Cd N5 O7 S -","- C18 H21 Cd N5 O7 S -","- C72 H84 Cd4 N20 O28 S4 -","4","1","","Xue, Li-Ping; Li, Zhao-Hao; Ma, Lu-Fang; Wang, Li-Ya","Crystal engineering of cadmium coordination polymers decorated with nitro-functionalized thiophene-2,5-dicarboxylate and structurally related bis(imidazole) ligands with varying flexibility","CrystEngComm","2015","17","33","6441","","10.1039/C5CE01248A","","","0.71073","MoKα","","0.1384","0.0871","","","0.1871","0.2101","","","","","","1.098","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221580","8.9864","0.0004","15.9532","0.0008","20.1727","0.001","90","","101.463","0.001","90","","2834.3","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 Cd N6 O9 S2 -","- C22 H24 Cd N6 O9 S2 -","- C88 H96 Cd4 N24 O36 S8 -","4","1","","Xue, Li-Ping; Li, Zhao-Hao; Ma, Lu-Fang; Wang, Li-Ya","Crystal engineering of cadmium coordination polymers decorated with nitro-functionalized thiophene-2,5-dicarboxylate and structurally related bis(imidazole) ligands with varying flexibility","CrystEngComm","2015","17","33","6441","","10.1039/C5CE01248A","","","0.71073","MoKα","","0.0327","0.0267","","","0.0656","0.0693","","","","","","1.046","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221581","12.7557","0.0005","15.4715","0.0005","22.2958","0.0008","90","","96.906","0.001","90","","4368.1","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H21 Cd N5 O6 S -","- C19 H21 Cd N5 O6 S -","- C152 H168 Cd8 N40 O48 S8 -","8","1","","Xue, Li-Ping; Li, Zhao-Hao; Ma, Lu-Fang; Wang, Li-Ya","Crystal engineering of cadmium coordination polymers decorated with nitro-functionalized thiophene-2,5-dicarboxylate and structurally related bis(imidazole) ligands with varying flexibility","CrystEngComm","2015","17","33","6441","","10.1039/C5CE01248A","","","0.71073","MoKα","","0.0363","0.0298","","","0.0634","0.0663","","","","","","1.062","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221582","9.4744","0.0004","17.5789","0.0008","14.41","0.0007","90","","90","","90","","2399.98","0.19","296","2","296","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C20 H22 Cd N6 O8 S -","- C20 H22 Cd N6 O8 S -","- C80 H88 Cd4 N24 O32 S4 -","4","0.5","","Xue, Li-Ping; Li, Zhao-Hao; Ma, Lu-Fang; Wang, Li-Ya","Crystal engineering of cadmium coordination polymers decorated with nitro-functionalized thiophene-2,5-dicarboxylate and structurally related bis(imidazole) ligands with varying flexibility","CrystEngComm","2015","17","33","6441","","10.1039/C5CE01248A","","","0.71073","MoKα","","0.053","0.0443","","","0.1429","0.1556","","","","","","0.873","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221590","13.916","0.0012","13.916","0.0012","21.142","0.004","90","","90","","90","","4094.3","0.9","100","1","100","1","","","","","","","","6","P 42/m m c","-P 4c 2","131","","","","- C38 H24 N2 O8 Si Zn2 -","- C37.9992 H23.9992 N2 O8 Si Zn2 -","- C75.9984 H47.9984 N4 O16 Si2 Zn4 -","2","0.125","","Wang, Jingjing; Zhang, Jun; Jin, Fengyan; Luo, Yanping; Wang, Shufen; Zhang, Zaiyong; Wu, Yong; Liu, Hongke; Lu, Jack Y.; Fang, Min","Synthesis of an exceptional water-stable two-fold interpenetrated Zn(ii)-paddlewheel metal‒organic framework","CrystEngComm","2015","17","31","5906","","10.1039/C5CE01192B","","","0.71073","MoKα","","0.0695","0.0628","","","0.1899","0.1944","","","","","","1.054","","","","has coordinates,has disorder","153109","2020-10-21","18:00:00",""
"7221591","9.7078","0.0003","9.7078","0.0003","21.7592","0.0015","90","","90","","90","","2050.62","0.17","291","2","291","2","","","","","","","","6","P 42/m c m","-P 4c 2c","132","Cu-TCS","Cu2TCS(4,4?-bipy)","","- C38 H26 Cu2 N2 O9 Si -","- C38 H26.08 Cu2 N2 O9 Si -","- C76 H52.16 Cu4 N4 O18 Si2 -","2","0.125","","Wang, Jingjing; Zhang, Jun; Jin, Fengyan; Luo, Yanping; Wang, Shufen; Zhang, Zaiyong; Wu, Yong; Liu, Hongke; Lu, Jack Y.; Fang, Min","Synthesis of an exceptional water-stable two-fold interpenetrated Zn(ii)-paddlewheel metal‒organic framework","CrystEngComm","2015","17","31","5906","","10.1039/C5CE01192B","","","0.71073","MoKα","","0.064","0.0471","","","0.1401","0.1503","","","","","","1.055","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221593","11.9816","0.0009","13.5266","0.0006","8.5608","0.0004","90","","90","","90","","1387.45","0.14","295","","295","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C15 H12 N2 O2 S -","- C15 H12 N2 O2 S -","- C60 H48 N8 O8 S4 -","4","0.5","","Nemec, Vinko; Škvorc, Nikola; Cinčić, Dominik","Mechanochemical and solution-based cocrystallization of 9,10-phenanthrenequinone and thiourea","CrystEngComm","2015","17","33","6274","","10.1039/C5CE01291K","","","0.71073","MoKα","","0.0622","0.037","","","0.0936","0.0984","","","","","","0.946","","","","has coordinates","171080","2020-10-21","18:00:00",""
"7221594","22.31","0.002","71.299","0.007","5.808","0.0007","90","","90","","90","","9238.7","1.7","296","2","296","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C27 H22 N2 O4 S -","- C27 H22 N2 O4 S -","- C432 H352 N32 O64 S16 -","16","1","","He, Hongyan; Jiang, Linglei; Zhang, Qi; Huang, Ying; Wang, Jian-Rong; Mei, Xuefeng","Polymorphism observed in dapsone‒flavone cocrystals that present pronounced differences in solubility and stability","CrystEngComm","2015","17","34","6566","","10.1039/C5CE01208B","","","0.71073","MoKα","","0.1092","0.0586","","","0.1566","0.2107","","","","","","1.045","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221595","11.4461","0.0014","11.5142","0.0014","27.13","0.004","102.158","0.008","94.726","0.008","91.906","0.007","3478.8","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H32 N2 O6 S -","- C42 H32 N2 O6 S -","- C168 H128 N8 O24 S4 -","4","2","","He, Hongyan; Jiang, Linglei; Zhang, Qi; Huang, Ying; Wang, Jian-Rong; Mei, Xuefeng","Polymorphism observed in dapsone‒flavone cocrystals that present pronounced differences in solubility and stability","CrystEngComm","2015","17","34","6566","","10.1039/C5CE01208B","","","0.71073","MoKα","","0.1721","0.054","","","0.1048","0.1394","","","","","","0.963","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221607","8.7542","0.0008","16.4242","0.0015","15.9879","0.0015","90","","91.709","0.002","90","","2297.7","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 N4 O7 Zn -","- C23 H26 N4 O7 Zn -","- C92 H104 N16 O28 Zn4 -","4","1","","Kumar, Sandeep; Mandal, Sanjay K.","Capturing the structural diversification upon thermal desolvation of a robust metal organic framework via a single-crystal-to-single-crystal transformation","CrystEngComm","2015","17","46","8801","","10.1039/C5CE01116G","","","0.71073","MoKα","","0.0606","0.0443","","","0.1123","0.1215","","","","","","1.091","","","","has coordinates","173734","2020-10-21","18:00:00",""
"7221608","8.485","0.005","14.529","0.009","14.073","0.008","90","","94.11","0.03","90","","1730.4","1.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 N3 O4 Zn -","- C20 H15 N3 O4 Zn -","- C80 H60 N12 O16 Zn4 -","4","1","","Kumar, Sandeep; Mandal, Sanjay K.","Capturing the structural diversification upon thermal desolvation of a robust metal organic framework via a single-crystal-to-single-crystal transformation","CrystEngComm","2015","17","46","8801","","10.1039/C5CE01116G","","","0.71073","MoKα","","0.1826","0.0817","","","0.1894","0.2307","","","","","","0.98","","","","has coordinates","173734","2020-10-21","18:00:00",""
"7221611","7.7017","0.0003","22.7746","0.0007","11.5195","0.0004","90","","90","","90","","2020.56","0.12","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C22 H18 N0 O11 Zn -","- C22 H18 O11 Zn -","- C88 H72 O44 Zn4 -","4","0.5","","Zhang, Xiutang; Fan, Liming; Fan, Weiliu; Li, Bin; Zhao, Xian","Assembly of a series of d10coordination polymers based on W-shaped 1,3-di(2′,4′-dicarboxyphenyl)benzene: from syntheses, structural diversity, luminescence, to photocatalytic properties","CrystEngComm","2015","17","35","6681","","10.1039/C5CE01157D","","","0.71073","MoKα","","0.0402","0.0296","","","0.0674","0.072","","","","","","1.005","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221612","15.1215","0.0013","10.2017","0.0009","22.1609","0.0019","90","","107.281","0.0018","90","","3264.3","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H24 N4 O8 Zn2 -","- C36 H24 N4 O8 Zn2 -","- C144 H96 N16 O32 Zn8 -","4","1","","Zhang, Xiutang; Fan, Liming; Fan, Weiliu; Li, Bin; Zhao, Xian","Assembly of a series of d10coordination polymers based on W-shaped 1,3-di(2′,4′-dicarboxyphenyl)benzene: from syntheses, structural diversity, luminescence, to photocatalytic properties","CrystEngComm","2015","17","35","6681","","10.1039/C5CE01157D","","","0.71073","MoKα","","0.087","0.0541","","","0.1262","0.1423","","","","","","1.002","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221613","15.3901","0.0012","9.9023","0.0008","21.9596","0.0017","90","","105.911","0.003","90","","3218.4","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H24 N4 O8 Zn2 -","- C36 H24 N4 O8 Zn2 -","- C144 H96 N16 O32 Zn8 -","4","1","","Zhang, Xiutang; Fan, Liming; Fan, Weiliu; Li, Bin; Zhao, Xian","Assembly of a series of d10coordination polymers based on W-shaped 1,3-di(2′,4′-dicarboxyphenyl)benzene: from syntheses, structural diversity, luminescence, to photocatalytic properties","CrystEngComm","2015","17","35","6681","","10.1039/C5CE01157D","","","0.71073","MoKα","","0.1057","0.0482","","","0.0963","0.1215","","","","","","1.005","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221614","21.3597","0.0015","10.7751","0.0007","31.118","0.002","90","","92.635","0.002","90","","7154.3","0.8","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C76 H59 Cl N8 O17 Zn4 -","- C76 H59 Cl N8 O17 Zn4 -","- C304 H236 Cl4 N32 O68 Zn16 -","4","1","","Zhang, Xiutang; Fan, Liming; Fan, Weiliu; Li, Bin; Zhao, Xian","Assembly of a series of d10coordination polymers based on W-shaped 1,3-di(2′,4′-dicarboxyphenyl)benzene: from syntheses, structural diversity, luminescence, to photocatalytic properties","CrystEngComm","2015","17","35","6681","","10.1039/C5CE01157D","","","0.71073","MoKα","","0.0969","0.0523","","","0.1253","0.1534","","","","","","0.998","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221615","11.0644","0.0005","28.5964","0.0013","10.4332","0.0005","90","","96.5018","0.0015","90","","3279.9","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 Cd2 N4 O9 -","- C36 H26 Cd2 N4 O9 -","- C144 H104 Cd8 N16 O36 -","4","1","","Zhang, Xiutang; Fan, Liming; Fan, Weiliu; Li, Bin; Zhao, Xian","Assembly of a series of d10coordination polymers based on W-shaped 1,3-di(2′,4′-dicarboxyphenyl)benzene: from syntheses, structural diversity, luminescence, to photocatalytic properties","CrystEngComm","2015","17","35","6681","","10.1039/C5CE01157D","","","0.71073","MoKα","","0.059","0.0462","","","0.1148","0.1236","","","","","","1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221624","17.5235","0.0011","17.5235","0.0011","17.5235","0.0011","90","","90","","90","","5381","0.6","100","2","100","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C12.4 H21.2 Cu3 La O23.7 S1.7 -","- C13.98 Cu3 La O21.5 S2.49 -","- C55.92 Cu12 La4 O86 S9.96 -","4","0.333333","","Gil-Hernández, B.; Gili, P.; Quirós, M.; Sanchiz, J.","Mesoxalate as Cu(ii)‒Ln(iii) linker in the construction of MOFs in DMSO/water medium","CrystEngComm","2015","17","34","6555","","10.1039/C5CE00999E","","","1.54184","CuKα","","0.0752","0.0742","","","0.2191","0.2223","","","","","","1.082","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221625","17.618","0.0002","17.618","0.0002","17.618","0.0002","90","","90","","90","","5468.52","0.11","293","2","293","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C13 H19 Ce Cu3 O22 S2 -","- C10.98 Ce Cu3 O20 S0.99 -","- C43.92 Ce4 Cu12 O80 S3.96 -","4","0.333333","","Gil-Hernández, B.; Gili, P.; Quirós, M.; Sanchiz, J.","Mesoxalate as Cu(ii)‒Ln(iii) linker in the construction of MOFs in DMSO/water medium","CrystEngComm","2015","17","34","6555","","10.1039/C5CE00999E","","","0.71073","MoKα","","0.1032","0.049","","","0.1106","0.1191","","","","","","0.996","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221626","17.58","0.002","17.58","0.002","17.58","0.002","90","","90","","90","","5433.2","1.1","293","2","293","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C14 H28 Cu3 O25.5 Pr S2.5 -","- C10.98 Cu3 O20 Pr S0.99 -","- C43.92 Cu12 O80 Pr4 S3.96 -","4","0.333333","","Gil-Hernández, B.; Gili, P.; Quirós, M.; Sanchiz, J.","Mesoxalate as Cu(ii)‒Ln(iii) linker in the construction of MOFs in DMSO/water medium","CrystEngComm","2015","17","34","6555","","10.1039/C5CE00999E","","","0.71073","MoKα","","0.1323","0.084","","","0.2092","0.242","","","","","","0.998","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221627","17.5154","0.0004","17.5154","0.0004","17.5154","0.0004","90","","90","","90","","5373.5","0.2","293","2","293","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C15.8 H37.4 Cu3 Nd O28.4 S3.4 -","- C10.98 Cu3 Nd O20 S0.99 -","- C43.92 Cu12 Nd4 O80 S3.96 -","4","0.333333","","Gil-Hernández, B.; Gili, P.; Quirós, M.; Sanchiz, J.","Mesoxalate as Cu(ii)‒Ln(iii) linker in the construction of MOFs in DMSO/water medium","CrystEngComm","2015","17","34","6555","","10.1039/C5CE00999E","","","0.71073","MoKα","","0.1002","0.0659","","","0.1668","0.1828","","","","","","1.004","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221628","20.2355","0.0009","27.1206","0.0009","23.3255","0.0008","90","","109.709","0.004","90","","12051.1","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H26 Cu6 Eu2 O42 S2 -","- C22 H12 Cu6 Eu2 O42 S2 -","- C176 H96 Cu48 Eu16 O336 S16 -","8","1","","Gil-Hernández, B.; Gili, P.; Quirós, M.; Sanchiz, J.","Mesoxalate as Cu(ii)‒Ln(iii) linker in the construction of MOFs in DMSO/water medium","CrystEngComm","2015","17","34","6555","","10.1039/C5CE00999E","","","1.54185","CuKα","","0.1647","0.1454","","","0.3517","0.3867","","","","","","0.991","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221629","16.4455","0.0003","15.0098","0.0005","27.8995","0.0007","79.513","0.002","98.024","0.002","105.156","0.002","6505.5","0.3","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C10 H34 Cu N4 O11 V2 -","- C10 H24 Cu N4 O11 V2 -","- C120 H288 Cu12 N48 O132 V24 -","12","6","","Martín-Caballero, Jagoba; Wéry, Ana San José; Artetxe, Beñat; Reinoso, Santiago; Felices, Leire San; Vilas, José Luis; Gutiérrez-Zorrilla, Juan M.","Sequential single-crystal-to-single-crystal transformations promoted by gradual thermal dehydration in a porous metavanadate hybrid","CrystEngComm","2015","17","46","8915","","10.1039/C5CE01076D","","x-ray","0.71073","MoKα","","0.0656","0.0458","","","0.1012","0.1106","","","","","","1.038","","","","has coordinates","173743","2020-10-21","18:00:00",""
"7221630","8.0199","0.0002","13.9524","0.0006","14.2588","0.0005","102.032","0.003","101.742","0.003","97.56","0.003","1502.38","0.1","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C10 H30 Cu N4 O9 V2 -","- C10 H24 Cu N4 O9 V2 -","- C30 H72 Cu3 N12 O27 V6 -","3","1.5","","Martín-Caballero, Jagoba; Wéry, Ana San José; Artetxe, Beñat; Reinoso, Santiago; Felices, Leire San; Vilas, José Luis; Gutiérrez-Zorrilla, Juan M.","Sequential single-crystal-to-single-crystal transformations promoted by gradual thermal dehydration in a porous metavanadate hybrid","CrystEngComm","2015","17","46","8915","","10.1039/C5CE01076D","","x-ray","0.71073","MoKα","","0.0338","0.0292","","","0.0743","0.0776","","","","","","1.051","","","","has coordinates","173743","2020-10-21","18:00:00",""
"7221631","8.6253","0.001","12.89","0.002","13.368","0.002","103.208","0.014","106.557","0.012","95.595","0.011","1365.7","0.4","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C10 H26.67 Cu N4 O7.33 V2 -","- C10 H24 Cu N4 O7.33333 V2 -","- C30 H72 Cu3 N12 O22 V6 -","3","1.5","","Martín-Caballero, Jagoba; Wéry, Ana San José; Artetxe, Beñat; Reinoso, Santiago; Felices, Leire San; Vilas, José Luis; Gutiérrez-Zorrilla, Juan M.","Sequential single-crystal-to-single-crystal transformations promoted by gradual thermal dehydration in a porous metavanadate hybrid","CrystEngComm","2015","17","46","8915","","10.1039/C5CE01076D","","x-ray","0.71073","MoKα","","0.1338","0.0886","","","0.1621","0.1828","","","","","","1.132","","","","has coordinates","173743","2020-10-21","18:00:00",""
"7221632","8.751","0.002","13.094","0.003","13.363","0.003","102.449","0.018","101.653","0.019","101.148","0.019","1418.8","0.6","393","2","393","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C10 H24 Cu N4 O6 V2 -","- C10 H24 Cu N4 O6 V2 -","- C30 H72 Cu3 N12 O18 V6 -","3","1.5","","Martín-Caballero, Jagoba; Wéry, Ana San José; Artetxe, Beñat; Reinoso, Santiago; Felices, Leire San; Vilas, José Luis; Gutiérrez-Zorrilla, Juan M.","Sequential single-crystal-to-single-crystal transformations promoted by gradual thermal dehydration in a porous metavanadate hybrid","CrystEngComm","2015","17","46","8915","","10.1039/C5CE01076D","","x-ray","0.71073","MoKα","","0.2426","0.1078","","","0.1866","0.2511","","","","","","1.058","","","","has coordinates","173743","2020-10-21","18:00:00",""
"7221636","17.3644","0.0008","16.2122","0.0008","16.2003","0.0008","90","","103.517","0.001","90","","4434.3","0.4","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C82 H62 N16 O29 Pr2 S6 -","- C82 H62 N16 O29 Pr2 S6 -","- C164 H124 N32 O58 Pr4 S12 -","2","0.5","","Ma, Dou; Huo, Rui; Li, Xia","Unique lanthanide frameworks with 63topology based on 1,5-naphthalenedisulfonate and 1H-imidazo[4,5-f][1,10]-phenanthroline: syntheses, crystal structure, photoluminescence, and white light emission","CrystEngComm","2015","17","34","6575","","10.1039/C5CE01302J","","","0.71073","MoKα","","0.0551","0.0393","","","0.0865","0.093","","","","","","1.228","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221637","17.3435","0.0016","16.1923","0.0016","16.0934","0.0014","90","","103.429","0.002","90","","4396","0.7","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C82 H62 N16 O29 S6 Sm2 -","- C82 H62 N16 O29 S6 Sm2 -","- C164 H124 N32 O58 S12 Sm4 -","2","0.5","","Ma, Dou; Huo, Rui; Li, Xia","Unique lanthanide frameworks with 63topology based on 1,5-naphthalenedisulfonate and 1H-imidazo[4,5-f][1,10]-phenanthroline: syntheses, crystal structure, photoluminescence, and white light emission","CrystEngComm","2015","17","34","6575","","10.1039/C5CE01302J","","","0.71073","MoKα","","0.1014","0.0552","","","0.0968","0.1134","","","","","","1.021","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221638","17.3174","0.0017","16.1834","0.0016","16.066","0.0014","90","","103.431","0.002","90","","4379.4","0.7","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C82 H62 Eu2 N16 O29 S6 -","- C82 H62 Eu2 N16 O29 S6 -","- C164 H124 Eu4 N32 O58 S12 -","2","0.5","","Ma, Dou; Huo, Rui; Li, Xia","Unique lanthanide frameworks with 63topology based on 1,5-naphthalenedisulfonate and 1H-imidazo[4,5-f][1,10]-phenanthroline: syntheses, crystal structure, photoluminescence, and white light emission","CrystEngComm","2015","17","34","6575","","10.1039/C5CE01302J","","","0.71073","MoKα","","0.1126","0.0571","","","0.1033","0.1233","","","","","","1.006","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221639","17.2968","0.0015","16.1959","0.0014","16.028","0.0014","90","","103.363","0.002","90","","4368.5","0.7","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C82 H62 Gd2 N16 O29 S6 -","- C82 H62 Gd2 N16 O29 S6 -","- C164 H124 Gd4 N32 O58 S12 -","2","0.5","","Ma, Dou; Huo, Rui; Li, Xia","Unique lanthanide frameworks with 63topology based on 1,5-naphthalenedisulfonate and 1H-imidazo[4,5-f][1,10]-phenanthroline: syntheses, crystal structure, photoluminescence, and white light emission","CrystEngComm","2015","17","34","6575","","10.1039/C5CE01302J","","","0.71073","MoKα","","0.0797","0.0475","","","0.0875","0.0996","","","","","","1.028","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221640","17.2852","0.0019","16.1853","0.0017","15.9746","0.0017","90","","103.335","0.002","90","","4348.7","0.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C82 H62 Dy2 N16 O29 S6 -","- C82 H62 Dy2 N16 O29 S6 -","- C164 H124 Dy4 N32 O58 S12 -","2","0.5","","Ma, Dou; Huo, Rui; Li, Xia","Unique lanthanide frameworks with 63topology based on 1,5-naphthalenedisulfonate and 1H-imidazo[4,5-f][1,10]-phenanthroline: syntheses, crystal structure, photoluminescence, and white light emission","CrystEngComm","2015","17","34","6575","","10.1039/C5CE01302J","","","0.71073","MoKα","","0.0574","0.0387","","","0.0814","0.0889","","","","","","1.089","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221641","17.2839","0.0008","16.1782","0.0006","16.0035","0.0006","90","","103.316","0.001","90","","4354.6","0.3","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C82 H62 N16 O29 S6 Tb2 -","- C82 H62 N16 O29 S6 Tb2 -","- C164 H124 N32 O58 S12 Tb4 -","2","0.5","","Ma, Dou; Huo, Rui; Li, Xia","Unique lanthanide frameworks with 63topology based on 1,5-naphthalenedisulfonate and 1H-imidazo[4,5-f][1,10]-phenanthroline: syntheses, crystal structure, photoluminescence, and white light emission","CrystEngComm","2015","17","34","6575","","10.1039/C5CE01302J","","","0.71073","MoKα","","0.06","0.0375","","","0.0769","0.0859","","","","","","1.063","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221642","17.4695","0.0003","8.64315","0.00013","19.7657","0.0003","90","","90","","90","","2984.45","0.08","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H11 N5 O2 Zn -","- C17 H11 N5 O2 Zn -","- C136 H88 N40 O16 Zn8 -","8","1","","Zhang, Liangliang; Zhang, Yu; Wang, Rongming; Kang, Zixi; Liu, Xiaobin; Sun, Daofeng; Meng, Qingguo","Solvent modulated assembly of two Zn metal‒organic frameworks: syntheses, luminescence, and gas adsorption properties","CrystEngComm","2015","17","34","6591","","10.1039/C5CE00833F","","","1.5418","CuKα","","0.026","0.0237","","","0.0638","0.0653","","","","","","1.053","","","","has coordinates","171073","2020-10-21","18:00:00",""
"7221643","18.58","0.004","9.962","0.002","32.732","0.008","90","","90","","90","","6058","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H25 N9 O6 Zn2 -","- C28 H25 N9 O6 Zn2 -","- C224 H200 N72 O48 Zn16 -","8","1","","Zhang, Liangliang; Zhang, Yu; Wang, Rongming; Kang, Zixi; Liu, Xiaobin; Sun, Daofeng; Meng, Qingguo","Solvent modulated assembly of two Zn metal‒organic frameworks: syntheses, luminescence, and gas adsorption properties","CrystEngComm","2015","17","34","6591","","10.1039/C5CE00833F","","","0.71073","MoKα","","0.0408","0.0342","","","0.0853","0.0881","","","","","","1.114","","","","has coordinates","171073","2020-10-21","18:00:00",""
"7221644","30.19","0.005","19.637","0.003","16.038","0.003","90","","108.829","0.003","90","","8999","3","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C91 H199 Co3 N13 O71 -","- C64 H50 Co3 N4 O19 -","- C256 H200 Co12 N16 O76 -","4","0.5","","Li, Jian-Ping; Ma, Yu-Qin; Geng, Li-Hua; Li, Yun-Hui; Yi, Fei-Yan","A highly stable porous multifunctional Co(ii) metal‒organic framework showing excellent gas storage applications and interesting magnetic properties","CrystEngComm","2015","17","34","6471","","10.1039/C5CE01123J","","","0.71073","MoKα","","0.1405","0.0896","","","0.2452","0.2841","","","","","","0.96","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221645","7.6681","0.0008","31.909","0.003","15.4268","0.0016","90","","90","","90","","3774.7","0.7","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C20 H18 Cu6 I4 N8 O11 -","- C20 H18 Cu6 I4 N8 O11 -","- C80 H72 Cu24 I16 N32 O44 -","4","0.5","","Ding, Yu-Jia; Zhang, Chun-Pei; Wang, Yong-Qing; Lin, Xiao-Ming; Zhu, Ximiao; Zhang, Da-Liang; Duan, Xian-Jian; Cai, Yue-Peng","A versatile CuII/CuImetal‒organic framework for selective sorption and heterogeneous catalysis","CrystEngComm","2015","17","35","6693","","10.1039/C5CE01041A","","","0.71073","MoKα","","0.0583","0.0422","","","0.108","0.1149","","","","","","1.069","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221646","10.214","0.003","14.064","0.003","14.282","0.004","75.127","0.011","87.917","0.012","79.52","0.013","1949.7","0.9","97","","97","","","","","","","","","6","P -1","-P 1","2","","","","- C56 H24 F24 N4 O16 Rh4 -","- C56 F24 N4 O16 Rh4 -","- C56 F24 N4 O16 Rh4 -","1","0.5","","Nishio, Masaki; Motokawa, Natsuko; Miyasaka, Hitoshi","Crystal-to-crystal transformation of fishnet-like layered compounds: a self-locking structure with position-variable intercalated molecules","CrystEngComm","2015","17","40","7618","","10.1039/C5CE01260K","","","0.71075","MoKα","","0.1847","0.1064","","","0.2782","0.3529","","","","","","1.035","","","","has coordinates","171093","2020-10-21","18:00:00",""
"7221647","10.1283","0.0014","13.8996","0.0013","14.2922","0.0018","74.962","0.008","87.263","0.009","79.42","0.008","1910.1","0.4","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C56 H24 F24 N4 O16 Rh4 -","- C56 H24 F24 N4 O16 Rh4 -","- C56 H24 F24 N4 O16 Rh4 -","1","0.5","","Nishio, Masaki; Motokawa, Natsuko; Miyasaka, Hitoshi","Crystal-to-crystal transformation of fishnet-like layered compounds: a self-locking structure with position-variable intercalated molecules","CrystEngComm","2015","17","40","7618","","10.1039/C5CE01260K","","","0.7107","MoKα","","0.0657","0.0533","","","0.1741","0.19","","","","","","1.058","","","","has coordinates","171093","2020-10-21","18:00:00",""
"7221648","10.406","0.01","14.261","0.013","14.52","0.015","74.7","0.03","88.45","0.04","79.38","0.04","2042","3","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C56 H24 F24 N4 O16 Ru4 -","- C56 H4 F24 N4 O16 Ru4 -","- C56 H4 F24 N4 O16 Ru4 -","1","0.5","","Nishio, Masaki; Motokawa, Natsuko; Miyasaka, Hitoshi","Crystal-to-crystal transformation of fishnet-like layered compounds: a self-locking structure with position-variable intercalated molecules","CrystEngComm","2015","17","40","7618","","10.1039/C5CE01260K","","","0.7107","MoKα","","0.1579","0.1069","","","0.2891","0.353","","","","","","1.041","","","","has coordinates","171093","2020-10-21","18:00:00",""
"7221649","10.0773","0.0017","13.935","0.002","14.259","0.002","74.988","0.005","86.579","0.006","79.096","0.006","1899","0.5","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C60 H28 Cl8 F24 N4 O16 Ru4 -","- C60 H24 Cl8 F24 N4 O16 Ru4 -","- C60 H24 Cl8 F24 N4 O16 Ru4 -","1","0.5","","Nishio, Masaki; Motokawa, Natsuko; Miyasaka, Hitoshi","Crystal-to-crystal transformation of fishnet-like layered compounds: a self-locking structure with position-variable intercalated molecules","CrystEngComm","2015","17","40","7618","","10.1039/C5CE01260K","","","0.7107","MoKα","","0.0848","0.0543","","","0.1306","0.1577","","","","","","1.008","","","","has coordinates","171093","2020-10-21","18:00:00",""
"7221656","9.2206","0.0018","14.881","0.003","15.697","0.003","115.13","0.03","92.57","0.03","99.02","0.03","1910.8","0.9","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H36 Co2 N8 O8 -","- C40 H36 Co2 N8 O8 -","- C80 H72 Co4 N16 O16 -","2","1","","Zhang, Zhong; Feng, Yan-Fang; Wei, Qiu-Yu; Hu, Kun; Chen, Zi-Lu; Liang, Fu-Pei","Metal-controlled structural variations of coordination architectures constructed from flexible 1H-benzimidazole-1-propionic acid","CrystEngComm","2015","17","35","6724","","10.1039/C5CE01250C","","","0.71073","MoKα","","0.0856","0.052","","","0.1017","0.1159","","","","","","1.006","","","","has coordinates","287938","2023-12-01","16:11:17",""
"7221657","26.01","0.011","10.83","0.005","15.972","0.007","90","","90.758","0.007","90","","4499","3","294","2","294","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C40 H52 Cu2 N8 O16 -","- C40 H52 Cu2 N8 O16 -","- C160 H208 Cu8 N32 O64 -","4","1","","Zhang, Zhong; Feng, Yan-Fang; Wei, Qiu-Yu; Hu, Kun; Chen, Zi-Lu; Liang, Fu-Pei","Metal-controlled structural variations of coordination architectures constructed from flexible 1H-benzimidazole-1-propionic acid","CrystEngComm","2015","17","35","6724","","10.1039/C5CE01250C","","","0.71073","MoKα","","0.058","0.0396","","","0.1037","0.1122","","","","","","1.032","","","","has coordinates","287938","2023-12-01","16:11:17",""
"7221658","24.081","0.008","6.4039","0.0008","16.283","0.004","90","","121.64","0.04","90","","2137.8","1.3","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H23 Ag N4 O6 -","- C20 H23 Ag N4 O6 -","- C80 H92 Ag4 N16 O24 -","4","0.5","","Zhang, Zhong; Feng, Yan-Fang; Wei, Qiu-Yu; Hu, Kun; Chen, Zi-Lu; Liang, Fu-Pei","Metal-controlled structural variations of coordination architectures constructed from flexible 1H-benzimidazole-1-propionic acid","CrystEngComm","2015","17","35","6724","","10.1039/C5CE01250C","","","0.71073","MoKα","","0.0976","0.0655","","","0.1829","0.2105","","","","","","1.092","","","","has coordinates","287938","2023-12-01","16:11:17",""
"7221659","13.2788","0.0002","8.3693","0.0001","16.8959","0.0004","90","","102.025","0.002","90","","1836.51","0.06","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N4 O4 Zn -","- C20 H18 N4 O4 Zn -","- C80 H72 N16 O16 Zn4 -","4","1","","Zhang, Zhong; Feng, Yan-Fang; Wei, Qiu-Yu; Hu, Kun; Chen, Zi-Lu; Liang, Fu-Pei","Metal-controlled structural variations of coordination architectures constructed from flexible 1H-benzimidazole-1-propionic acid","CrystEngComm","2015","17","35","6724","","10.1039/C5CE01250C","","","0.71073","MoKα","","0.0426","0.0349","","","0.0844","0.0887","","","","","","1.003","","","","has coordinates","287938","2023-12-01","16:11:17",""
"7221660","27.288","0.004","27.288","0.004","32.044","0.006","90","","90","","120","","20664","6","294","2","294","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C240 H232 Cd12 N48 O56 -","- C240 H232 Cd12 N48 O56 -","- C720 H695.999 Cd36 N144 O168 -","3","0.166667","","Zhang, Zhong; Feng, Yan-Fang; Wei, Qiu-Yu; Hu, Kun; Chen, Zi-Lu; Liang, Fu-Pei","Metal-controlled structural variations of coordination architectures constructed from flexible 1H-benzimidazole-1-propionic acid","CrystEngComm","2015","17","35","6724","","10.1039/C5CE01250C","","","0.71073","MoKα","","0.0509","0.0421","","","0.1055","0.1069","","","","","","1.091","","","","has coordinates","287938","2023-12-01","16:11:17",""
"7221661","14.897","0.008","10.377","0.006","8.216","0.005","90","","90.647","0.008","90","","1270","1.3","294","2","294","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C10 H10 Cl2 Hg N2 O2 -","- C10 H10 Cl2 Hg N2 O2 -","- C40 H40 Cl8 Hg4 N8 O8 -","4","1","","Zhang, Zhong; Feng, Yan-Fang; Wei, Qiu-Yu; Hu, Kun; Chen, Zi-Lu; Liang, Fu-Pei","Metal-controlled structural variations of coordination architectures constructed from flexible 1H-benzimidazole-1-propionic acid","CrystEngComm","2015","17","35","6724","","10.1039/C5CE01250C","","","0.71073","MoKα","","0.0268","0.0221","","","0.0654","0.0676","","","","","","1.043","","","","has coordinates","287938","2023-12-01","16:11:17",""
"7221672","15.823","0.017","9.588","0.01","17.462","0.019","90","","114.623","0.013","90","","2408","4","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C29 H21 B F2 N2 O -","- C29 H21 B F2 N2 O -","- C116 H84 B4 F8 N8 O4 -","4","1","","Tan, Ronghua; Lin, Qifei; Wen, Ying; Xiao, Shuzhang; Wang, Sa; Zhang, Ronghua; Yi, Tao","Polymorphism and mechanochromic luminescence of a highly solid-emissive quinoline-β-ketone boron difluoride dye","CrystEngComm","2015","17","35","6674","","10.1039/C5CE01138H","","","0.71073","MoKα","","0.2985","0.1377","","","0.1868","0.2393","","","","","","1.125","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221673","17.097","0.015","8.764","0.007","17.682","0.016","90","","117.686","0.009","90","","2346","4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H21 B F2 N2 O -","- C29 H21 B F2 N2 O -","- C116 H84 B4 F8 N8 O4 -","4","1","","Tan, Ronghua; Lin, Qifei; Wen, Ying; Xiao, Shuzhang; Wang, Sa; Zhang, Ronghua; Yi, Tao","Polymorphism and mechanochromic luminescence of a highly solid-emissive quinoline-β-ketone boron difluoride dye","CrystEngComm","2015","17","35","6674","","10.1039/C5CE01138H","","","0.71073","MoKα","","0.163","0.0848","","","0.1616","0.195","","","","","","1.088","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221674","17.149","0.014","8.78","0.007","17.692","0.014","90","","117.636","0.008","90","","2360","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H21 B F2 N2 O -","- C29 H21 B F2 N2 O -","- C116 H84 B4 F8 N8 O4 -","4","1","","Tan, Ronghua; Lin, Qifei; Wen, Ying; Xiao, Shuzhang; Wang, Sa; Zhang, Ronghua; Yi, Tao","Polymorphism and mechanochromic luminescence of a highly solid-emissive quinoline-β-ketone boron difluoride dye","CrystEngComm","2015","17","35","6674","","10.1039/C5CE01138H","","","0.71073","MoKα","","0.1784","0.088","","","0.1776","0.2169","","","","","","1.082","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221680","9.2264","0.0007","31.583","0.003","13.1257","0.001","90","","105.764","0.003","90","","3680.9","0.5","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H68 Cl6 N16 O21 -","- C60 H66 Cl6 N16 O21 -","- C120 H132 Cl12 N32 O42 -","2","0.5","","Mouchaham, Georges; Gualino, Marion; Roques, Nans; Duhayon, Carine; Brandès, Stéphane; Sutter, Jean-Pascal","Supramolecular open-framework architectures based on dicarboxylate H-bond acceptors and polytopic cations with three/four N‒H+donor units","CrystEngComm","2015","17","46","8906","","10.1039/C5CE01070E","","","0.71073","MoKα","","0.084","0.0798","","0.0815","0.0747","0.0721","","","","","","1.0484","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221681","10.7229","0.0001","34.3062","0.0004","15.2099","0.0002","90","","114.8","0.001","90","","5079.15","0.11","180","","180","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H49 Cl4 N7 O15 -","- C46 H49 Cl4 N7 O15 -","- C184 H196 Cl16 N28 O60 -","4","1","","Mouchaham, Georges; Gualino, Marion; Roques, Nans; Duhayon, Carine; Brandès, Stéphane; Sutter, Jean-Pascal","Supramolecular open-framework architectures based on dicarboxylate H-bond acceptors and polytopic cations with three/four N‒H+donor units","CrystEngComm","2015","17","46","8906","","10.1039/C5CE01070E","","","1.5418","CuKα","","0.0747","0.0716","","0.0873","0.0864","0.0861","","","","","","0.9676","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221682","13.3011","0.0004","24.6348","0.0006","7.1285","0.0002","90","","96.565","0.003","90","","2320.48","0.11","180","","180","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H26 N6 O13 -","- C19 H26 N6 O13 -","- C76 H104 N24 O52 -","4","1","","Mouchaham, Georges; Gualino, Marion; Roques, Nans; Duhayon, Carine; Brandès, Stéphane; Sutter, Jean-Pascal","Supramolecular open-framework architectures based on dicarboxylate H-bond acceptors and polytopic cations with three/four N‒H+donor units","CrystEngComm","2015","17","46","8906","","10.1039/C5CE01070E","","","1.5418","CuKα","","0.0373","0.0358","","0.0426","0.0417","0.0413","","","","","","1.0385","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221683","38.2977","0.0005","38.2977","0.0005","22.9827","0.0004","90","","90","","90","","33709","0.9","110","","110","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C29 H38 N4 O17 -","- C29 H28 N4 O12 -","- C1160 H1120 N160 O480 -","40","2.5","","Mouchaham, Georges; Gualino, Marion; Roques, Nans; Duhayon, Carine; Brandès, Stéphane; Sutter, Jean-Pascal","Supramolecular open-framework architectures based on dicarboxylate H-bond acceptors and polytopic cations with three/four N‒H+donor units","CrystEngComm","2015","17","46","8906","","10.1039/C5CE01070E","","","1.5418","CuKα","","0.0803","0.0743","","0.0838","0.0811","0.0803","","","","","","1.0691","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221684","10.3014","0.0006","12.5123","0.0008","17.7504","0.001","94.575","0.005","97.802","0.005","104.605","0.005","2177.9","0.2","125","","125","","","","","","","","","4","P -1","-P 1","2","","","","- C44 H51 N5 O17 -","- C44 H45 N5 O17 -","- C88 H90 N10 O34 -","2","1","","Mouchaham, Georges; Gualino, Marion; Roques, Nans; Duhayon, Carine; Brandès, Stéphane; Sutter, Jean-Pascal","Supramolecular open-framework architectures based on dicarboxylate H-bond acceptors and polytopic cations with three/four N‒H+donor units","CrystEngComm","2015","17","46","8906","","10.1039/C5CE01070E","","","1.5418","CuKα","","0.0994","0.0799","","0.1044","0.0927","0.0912","","","","","","1.1182","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221688","18.985","0.003","18.985","0.003","68.34","0.014","90","","90","","120","","21332","6","100","2","100","2","","","","","","","Zinc nitrate hexahydrate, bis(4-carboxyphenyl)-N-methylamine","5","R 3 2 :H","R 3 2""","155","Zn4OCPMA_origin","","","- C114 H122 N14 O34 Zn8 -","- C90 H66 N6 O26 Zn8 -","- C540 H396 N36 O156 Zn48 -","6","0.333333","","Lee, Jae Hwa; Kim, Tae Kyung; Suh, Myunghyun Paik; Moon, Hoi Ri","Solvent-induced single-crystal to single-crystal transformation of a Zn4O-containing doubly interpenetrated metal‒organic framework with a pcu net","CrystEngComm","2015","17","46","8807","","10.1039/C5CE01074H","","","0.7","synchrotron","","0.0757","0.0551","","","0.1717","0.1835","","","","","","1.003","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221689","19.168","0.003","19.168","0.003","67.695","0.013","90","","90","","120","","21540","6","100","2","100","2","","","","","","","Zinc nitrate hexahydrate, bis(4-carboxyphenyl)-N-methylamine","5","R 3 2 :H","R 3 2""","155","Zn4OCPMA_benzene","","","- C366 H318 N12 O52 Zn16 -","- C198 H150 N12 O52 Zn16 -","- C594 H450 N36 O156 Zn48 -","3","0.166667","","Lee, Jae Hwa; Kim, Tae Kyung; Suh, Myunghyun Paik; Moon, Hoi Ri","Solvent-induced single-crystal to single-crystal transformation of a Zn4O-containing doubly interpenetrated metal‒organic framework with a pcu net","CrystEngComm","2015","17","46","8807","","10.1039/C5CE01074H","","","0.70001","synchrotron","","0.0685","0.0563","","","0.1711","0.1783","","","","","","1.056","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221690","18.653","0.003","18.653","0.003","65.066","0.013","90","","90","","120","","19606","6","100","2","100","2","","","","","","","Zinc nitrate hexahydrate, bis(4-carboxyphenyl)-N-methylamine","5","R -3 c :H","-R 3 2""c","167","Zn4OCPMA_hexane","","","- C63 H75 N3 O13 Zn4 -","- C63 H75 N3 O13 Zn4 -","- C756 H900 N36 O156 Zn48 -","12","0.333333","","Lee, Jae Hwa; Kim, Tae Kyung; Suh, Myunghyun Paik; Moon, Hoi Ri","Solvent-induced single-crystal to single-crystal transformation of a Zn4O-containing doubly interpenetrated metal‒organic framework with a pcu net","CrystEngComm","2015","17","46","8807","","10.1039/C5CE01074H","","","0.67999","synchrotron","","0.0819","0.0575","","","0.1516","0.1753","","","","","","0.998","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221691","18.118","0.003","18.118","0.003","67.542","0.014","90","","90","","120","","19201","6","100","2","100","2","","","","","","","Zinc nitrate hexahydrate, bis(4-carboxyphenyl)-N-methylamine","5","R -3 c :H","-R 3 2""c","167","Zn4OCPMA_MeOH","","","- C54 H77 N3 O26 Zn4 -","- C51 H57 N3 O20 Zn4 -","- C612 H684 N36 O240 Zn48 -","12","0.333333","","Lee, Jae Hwa; Kim, Tae Kyung; Suh, Myunghyun Paik; Moon, Hoi Ri","Solvent-induced single-crystal to single-crystal transformation of a Zn4O-containing doubly interpenetrated metal‒organic framework with a pcu net","CrystEngComm","2015","17","46","8807","","10.1039/C5CE01074H","","","0.64999","synchrotron","","0.1447","0.1078","","","0.3161","0.3361","","","","","","1.173","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221696","9.2565","0.0014","10.1736","0.0015","15.405","0.002","95.282","0.003","105.188","0.002","91.394","0.002","1392.3","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H56 Co5 N8 O30 P2 -","- C46 H56 Co5 N8 O30 P2 -","- C46 H56 Co5 N8 O30 P2 -","1","0.5","","Zheng, Tao; Cai, Zhong-Sheng; Nie, Wei-Xuan; Ren, Min; Bao, Song-Song; Zheng, Li-Min","Modulating the microporosity of cobalt phosphonates via positional isomerism of co-linkers","CrystEngComm","2015","17","46","8926","","10.1039/C5CE01087J","","","0.71073","MoKα","","0.0443","0.0327","","","0.0791","0.0829","","","","","","1.002","","","","has coordinates,has disorder","173739","2020-10-21","18:00:00",""
"7221697","9.196","0.006","10.084","0.006","15.198","0.009","73.07","0.012","88.636","0.012","89.664","0.012","1347.9","1.4","373","2","373","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H40 Co5 N8 O22 P2 -","- C46 H40 Co5 N8 O22 P2 -","- C46 H40 Co5 N8 O22 P2 -","1","0.5","","Zheng, Tao; Cai, Zhong-Sheng; Nie, Wei-Xuan; Ren, Min; Bao, Song-Song; Zheng, Li-Min","Modulating the microporosity of cobalt phosphonates via positional isomerism of co-linkers","CrystEngComm","2015","17","46","8926","","10.1039/C5CE01087J","","","0.71073","MoKα","","0.0963","0.056","","","0.1292","0.1425","","","","","","1.001","","","","has coordinates","173739","2020-10-21","18:00:00",""
"7221698","10.1032","0.0008","9.2299","0.0007","31.773","0.003","90","","107.486","0.002","90","","2826","0.4","173","2","173","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C92 H110 Co10 N16 O59 P4 -","- C92 H110 Co10 N16 O59 P4 -","- C92 H110 Co10 N16 O59 P4 -","1","0.5","","Zheng, Tao; Cai, Zhong-Sheng; Nie, Wei-Xuan; Ren, Min; Bao, Song-Song; Zheng, Li-Min","Modulating the microporosity of cobalt phosphonates via positional isomerism of co-linkers","CrystEngComm","2015","17","46","8926","","10.1039/C5CE01087J","","","0.71073","MoKα","","0.0569","0.0403","","","0.0863","0.0965","","","","","","0.999","","","","has coordinates","173739","2020-10-21","18:00:00",""
"7221699","9.247","0.004","9.97","0.005","15.025","0.008","100.151","0.009","91.372","0.009","91.776","0.009","1362.2","1.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H52 Co5 N8 O28 P2 -","- C46 H52 Co5 N8 O28 P2 -","- C46 H52 Co5 N8 O28 P2 -","1","0.5","","Zheng, Tao; Cai, Zhong-Sheng; Nie, Wei-Xuan; Ren, Min; Bao, Song-Song; Zheng, Li-Min","Modulating the microporosity of cobalt phosphonates via positional isomerism of co-linkers","CrystEngComm","2015","17","46","8926","","10.1039/C5CE01087J","","","0.71073","MoKα","","0.0998","0.0483","","","0.072","0.0802","","","","","","1.002","","","","has coordinates","173739","2020-10-21","18:00:00",""
"7221715","12.5772","0.0015","13.5174","0.0019","13.8758","0.0014","88.395","0.01","88.618","0.009","89.946","0.01","2357.4","0.5","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H51 Co N11 O6 -","- C48 H51 Co N11 O6 -","- C96 H102 Co2 N22 O12 -","2","1","","Loukopoulos, Edward; Berkoff, Benjamin; Griffiths, Kieran; Keeble, Victoria; Dokorou, Vassiliki N.; Tsipis, Athanassios C.; Escuer, Albert; Kostakis, George E.","Cobalt(ii/iii), nickel(ii) and copper(ii) coordination clusters employing a monoanionic Schiff base ligand: synthetic, topological and computational mechanistic aspects","CrystEngComm","2015","17","35","6753","","10.1039/C5CE01294E","","","0.71073","MoKα","","0.0723","0.0525","","","0.1216","0.1349","","","","","","1.022","","","","has coordinates","171035","2020-10-21","18:00:00",""
"7221716","12.582","0.0005","13.4972","0.0007","13.9527","0.0005","88.824","0.004","88.632","0.003","89.748","0.004","2368.28","0.18","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H51 N11 Ni O6 -","- C48 H51 N11 Ni O6 -","- C96 H102 N22 Ni2 O12 -","2","1","","Loukopoulos, Edward; Berkoff, Benjamin; Griffiths, Kieran; Keeble, Victoria; Dokorou, Vassiliki N.; Tsipis, Athanassios C.; Escuer, Albert; Kostakis, George E.","Cobalt(ii/iii), nickel(ii) and copper(ii) coordination clusters employing a monoanionic Schiff base ligand: synthetic, topological and computational mechanistic aspects","CrystEngComm","2015","17","35","6753","","10.1039/C5CE01294E","","","0.71073","MoKα","","0.0567","0.0426","","","0.1003","0.109","","","","","","1.031","","","","has coordinates","171035","2020-10-21","18:00:00",""
"7221717","10.5901","0.0009","12.6454","0.001","14.7745","0.0012","72.448","0.007","82.861","0.007","88.524","0.007","1871.7","0.3","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H39 Cu N7 O6 -","- C40 H39 Cu N7 O6 -","- C80 H78 Cu2 N14 O12 -","2","1","","Loukopoulos, Edward; Berkoff, Benjamin; Griffiths, Kieran; Keeble, Victoria; Dokorou, Vassiliki N.; Tsipis, Athanassios C.; Escuer, Albert; Kostakis, George E.","Cobalt(ii/iii), nickel(ii) and copper(ii) coordination clusters employing a monoanionic Schiff base ligand: synthetic, topological and computational mechanistic aspects","CrystEngComm","2015","17","35","6753","","10.1039/C5CE01294E","","x-ray","0.71073","MoKα","","0.0503","0.0381","","","0.0847","0.0917","","","","","","1.039","","","","has coordinates","171035","2020-10-21","18:00:00",""
"7221718","23.5066","0.0006","12.391","0.0003","29.062","0.002","90","","109.306","0.008","90","","7988.9","0.7","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C78 H78 Cl2 Co4 N12 O22 -","- C78 H78 Cl2 Co4 N12 O22 -","- C312 H312 Cl8 Co16 N48 O88 -","4","1","","Loukopoulos, Edward; Berkoff, Benjamin; Griffiths, Kieran; Keeble, Victoria; Dokorou, Vassiliki N.; Tsipis, Athanassios C.; Escuer, Albert; Kostakis, George E.","Cobalt(ii/iii), nickel(ii) and copper(ii) coordination clusters employing a monoanionic Schiff base ligand: synthetic, topological and computational mechanistic aspects","CrystEngComm","2015","17","35","6753","","10.1039/C5CE01294E","","","0.71075","MoKα","","0.0995","0.069","","","0.1874","0.209","","","","","","1.028","","","","has coordinates,has disorder","171035","2020-10-21","18:00:00",""
"7221719","15.0627","0.0005","15.0627","0.0005","33.6307","0.0016","90","","90","","90","","7630.3","0.5","173","2","173","","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C76 H76 Co4 N12 O20 -","- C76 H76 Co4 N12 O20 -","- C304 H304 Co16 N48 O80 -","4","","","Loukopoulos, Edward; Berkoff, Benjamin; Griffiths, Kieran; Keeble, Victoria; Dokorou, Vassiliki N.; Tsipis, Athanassios C.; Escuer, Albert; Kostakis, George E.","Cobalt(ii/iii), nickel(ii) and copper(ii) coordination clusters employing a monoanionic Schiff base ligand: synthetic, topological and computational mechanistic aspects","CrystEngComm","2015","17","35","6753","","10.1039/C5CE01294E","","x-ray","0.71073","MoKα","","0.0652","0.0485","","","0.1378","0.15","","","","","","1.098","","","","has coordinates","171035","2020-10-21","18:00:00",""
"7221720","15.0145","0.0004","15.0145","0.0004","33.6543","0.0011","90","","90","","90","","7586.9","0.4","173","","173","","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C76 H76 Co4 N12 O24 -","- C76 H76 Co4 N12 O24 -","- C304 H304 Co16 N48 O96 -","4","","","Loukopoulos, Edward; Berkoff, Benjamin; Griffiths, Kieran; Keeble, Victoria; Dokorou, Vassiliki N.; Tsipis, Athanassios C.; Escuer, Albert; Kostakis, George E.","Cobalt(ii/iii), nickel(ii) and copper(ii) coordination clusters employing a monoanionic Schiff base ligand: synthetic, topological and computational mechanistic aspects","CrystEngComm","2015","17","35","6753","","10.1039/C5CE01294E","","x-ray","0.71073","MoKα","","0.077","0.0515","","","0.1477","0.1631","","","","","","1.061","","","","has coordinates","171035","2020-10-21","18:00:00",""
"7221721","12.6956","0.0004","14.4449","0.0004","22.4981","0.0007","77.797","0.002","79.842","0.002","72.698","0.003","3821.6","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H39 Co N8 O8 -","- C42 H39 Co N8 O8 -","- C168 H156 Co4 N32 O32 -","4","2","","Loukopoulos, Edward; Berkoff, Benjamin; Griffiths, Kieran; Keeble, Victoria; Dokorou, Vassiliki N.; Tsipis, Athanassios C.; Escuer, Albert; Kostakis, George E.","Cobalt(ii/iii), nickel(ii) and copper(ii) coordination clusters employing a monoanionic Schiff base ligand: synthetic, topological and computational mechanistic aspects","CrystEngComm","2015","17","35","6753","","10.1039/C5CE01294E","","","0.71073","MoKα","","0.145","0.0746","","","0.1315","0.1562","","","","","","1.023","","","","has coordinates,has disorder","171035","2020-10-21","18:00:00",""
"7221722","27.0155","0.0019","13.565","0.0009","36.028","0.003","90","","97.0327","0.0008","90","","13103.7","1.7","100","","100","","","","","","","","","6","I 1 2/c 1","-I 2yc","15","","","","- C60 H66 Cl N9 Ni2 O16 -","- C60 H66 Cl N9 Ni2 O16 -","- C480 H528 Cl8 N72 Ni16 O128 -","8","1","","Loukopoulos, Edward; Berkoff, Benjamin; Griffiths, Kieran; Keeble, Victoria; Dokorou, Vassiliki N.; Tsipis, Athanassios C.; Escuer, Albert; Kostakis, George E.","Cobalt(ii/iii), nickel(ii) and copper(ii) coordination clusters employing a monoanionic Schiff base ligand: synthetic, topological and computational mechanistic aspects","CrystEngComm","2015","17","35","6753","","10.1039/C5CE01294E","","","0.71075","MoKα","","0.0912","0.0709","","","0.204","0.2176","","","","","","1.04","","","","has coordinates,has disorder","171035","2020-10-21","18:00:00",""
"7221723","23.7809","0.0003","19.3947","0.0003","21.4148","0.0002","90","","97.9199","0.0012","90","","9782.8","0.2","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C84 H102 Cl2 Cu4 N12 O28 -","- C84 H102 Cl2 Cu4 N12 O28 -","- C336 H408 Cl8 Cu16 N48 O112 -","4","1","","Loukopoulos, Edward; Berkoff, Benjamin; Griffiths, Kieran; Keeble, Victoria; Dokorou, Vassiliki N.; Tsipis, Athanassios C.; Escuer, Albert; Kostakis, George E.","Cobalt(ii/iii), nickel(ii) and copper(ii) coordination clusters employing a monoanionic Schiff base ligand: synthetic, topological and computational mechanistic aspects","CrystEngComm","2015","17","35","6753","","10.1039/C5CE01294E","","","0.71073","MoKα","","0.0779","0.0545","","","0.1529","0.1682","","","","","","1.075","","","","has coordinates,has disorder","171035","2020-10-21","18:00:00",""
"7221724","11.7862","0.0005","21.7148","0.0008","16.764","0.0006","90","","101.32","0.004","90","","4207","0.3","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H50 Cl2 Co4 N2 O14 -","- C36 H50 Cl2 Co4 N2 O14 -","- C144 H200 Cl8 Co16 N8 O56 -","4","1","","Loukopoulos, Edward; Berkoff, Benjamin; Griffiths, Kieran; Keeble, Victoria; Dokorou, Vassiliki N.; Tsipis, Athanassios C.; Escuer, Albert; Kostakis, George E.","Cobalt(ii/iii), nickel(ii) and copper(ii) coordination clusters employing a monoanionic Schiff base ligand: synthetic, topological and computational mechanistic aspects","CrystEngComm","2015","17","35","6753","","10.1039/C5CE01294E","","x-ray","0.71073","MoKα","","0.0517","0.0372","","","0.085","0.0938","","","","","","1.039","","","","has coordinates","171035","2020-10-21","18:00:00",""
"7221734","17.6278","0.0007","8.6461","0.0004","21.0723","0.0008","90","","105.829","0.0019","90","","3089.9","0.2","296","","296","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H30 N6 O2 -","- C34 H30 N6 O2 -","- C136 H120 N24 O8 -","4","0.5","","Jindo, Takumi; Kim, Byung-Soon; Sasaki, Naho; Shinohara, Yohei; Son, Young-A; Kim, Sung-Hoon; Matsumoto, Shinya","The effect of terminal dimethyl and diethyl substituents on the J-aggregate-like molecular arrangement of bisazomethine dye molecules","CrystEngComm","2015","17","37","7213","","10.1039/C5CE00845J","","","1.54187","CuKα","","0.2845","0.1116","","","0.1468","0.209","","","","","","1.212","","","","has coordinates","171067","2020-10-21","18:00:00",""
"7221735","7.47796","0.00015","8.7915","0.00016","10.00729","0.00018","67.6476","0.001","72.0277","0.001","80.1605","0.001","577.708","0.019","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H26 N6 O2 -","- C24 H26 N6 O2 -","- C24 H26 N6 O2 -","1","0.5","","Jindo, Takumi; Kim, Byung-Soon; Sasaki, Naho; Shinohara, Yohei; Son, Young-A; Kim, Sung-Hoon; Matsumoto, Shinya","The effect of terminal dimethyl and diethyl substituents on the J-aggregate-like molecular arrangement of bisazomethine dye molecules","CrystEngComm","2015","17","37","7213","","10.1039/C5CE00845J","","","1.54187","CuKα","","","0.0565","","","","0.1959","","","","","","1.061","","","","has coordinates","171067","2020-10-21","18:00:00",""
"7221736","8.7038","0.0004","9.2191","0.0004","10.0892","0.0005","110.554","0.003","110.343","0.002","97.368","0.003","681.26","0.06","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H34 N6 O2 -","- C28 H34 N6 O2 -","- C28 H34 N6 O2 -","1","0.5","","Jindo, Takumi; Kim, Byung-Soon; Sasaki, Naho; Shinohara, Yohei; Son, Young-A; Kim, Sung-Hoon; Matsumoto, Shinya","The effect of terminal dimethyl and diethyl substituents on the J-aggregate-like molecular arrangement of bisazomethine dye molecules","CrystEngComm","2015","17","37","7213","","10.1039/C5CE00845J","","","1.54187","CuKα","","0.3279","0.0987","","","0.2117","0.3459","","","","","","0.879","","","","has coordinates","171067","2020-10-21","18:00:00",""
"7221737","8.572","0.0003","9.4914","0.0003","10.6283","0.0003","115.267","0.0012","98.1638","0.0014","102.707","0.0014","735.06","0.04","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H38 N6 O2 -","- C30 H38 N6 O2 -","- C30 H38 N6 O2 -","1","0.5","","Jindo, Takumi; Kim, Byung-Soon; Sasaki, Naho; Shinohara, Yohei; Son, Young-A; Kim, Sung-Hoon; Matsumoto, Shinya","The effect of terminal dimethyl and diethyl substituents on the J-aggregate-like molecular arrangement of bisazomethine dye molecules","CrystEngComm","2015","17","37","7213","","10.1039/C5CE00845J","","","1.54187","CuKα","","","0.0619","","","","0.2556","","","","","","1.134","","","","has coordinates","171067","2020-10-21","18:00:00",""
"7221738","8.4017","0.0002","10.0488","0.0003","10.0892","0.0003","95.1228","0.0012","102.045","0.0013","108.349","0.0012","779.59","0.04","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H42 N6 O2 -","- C32 H42 N6 O2 -","- C32 H42 N6 O2 -","1","0.5","","Jindo, Takumi; Kim, Byung-Soon; Sasaki, Naho; Shinohara, Yohei; Son, Young-A; Kim, Sung-Hoon; Matsumoto, Shinya","The effect of terminal dimethyl and diethyl substituents on the J-aggregate-like molecular arrangement of bisazomethine dye molecules","CrystEngComm","2015","17","37","7213","","10.1039/C5CE00845J","","","1.54187","CuKα","","","0.0566","","","","0.1945","","","","","","1.11","","","","has coordinates","171067","2020-10-21","18:00:00",""
"7221739","8.6252","0.0003","10.9509","0.0005","11.562","0.0007","94.067","0.004","93.088","0.004","112.605","0.004","1001.73","0.09","93","","93","","","","","","","","","4","P -1","-P 1","2","","","","- C42 H62 N6 O2 -","- C42 H62 N6 O2 -","- C42 H62 N6 O2 -","1","0.5","","Jindo, Takumi; Kim, Byung-Soon; Sasaki, Naho; Shinohara, Yohei; Son, Young-A; Kim, Sung-Hoon; Matsumoto, Shinya","The effect of terminal dimethyl and diethyl substituents on the J-aggregate-like molecular arrangement of bisazomethine dye molecules","CrystEngComm","2015","17","37","7213","","10.1039/C5CE00845J","","","1.54187","CuKα","","0.0652","0.0523","","","0.1508","0.1656","","","","","","1.036","","","","has coordinates","171067","2020-10-21","18:00:00",""
"7221741","16.2712","0.0004","16.2712","0.0004","17.2772","0.0008","90","","90","","120","","3961.3","0.2","296","2","296","2","","","","","","","","4","P 3 1 c","P 3 -2c","159","","","","- C51 H43 Co7 O43.5 -","- C51 H15 Co7 O43.5 -","- C102 H30 Co14 O87 -","2","0.333333","","Zhao, Jun; Liu, Bo; Wu, Ya-Pan; Bai, Liang; Zhang, Jian; Li, Dong-Sheng","[Co(H2O)6]2+and H3O+encapsulated in a unique 3D anionic Co(ii) framework with hydrophilic hexagonal and circular channels","CrystEngComm","2015","17","37","7034","","10.1039/C5CE01028D","","","0.71073","MoKα","","0.0538","0.0534","","","0.1566","0.1572","","","","","","1.049","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221744","5.6561","0.0006","11.4126","0.0012","12.2064","0.0012","116.614","0.001","91.131","0.002","104.114","0.002","675.58","0.12","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C10 H11 Cl I N4 O2 S -","- C10 H11 Cl I N4 O2 S -","- C20 H22 Cl2 I2 N8 O4 S2 -","2","1","","Pan, F.; Puttreddy, R.; Rissanen, K.; Englert, U.","Synthesis of tetrahalide dianions directed by crystal engineering","CrystEngComm","2015","17","35","6641","","10.1039/C5CE01288K","","","0.71073","MoKα","","0.0708","0.0479","","","0.1082","0.1199","","","","","","1.035","","","","has coordinates","171030","2020-10-21","18:00:00",""
"7221745","5.7185","0.0003","11.644","0.0006","12.3493","0.0006","116.697","0.0006","91.7117","0.0006","104.17","0.0007","702.94","0.06","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C10 H11 Br I N4 O2 S -","- C10 H11 Br I N4 O2 S -","- C20 H22 Br2 I2 N8 O4 S2 -","2","1","","Pan, F.; Puttreddy, R.; Rissanen, K.; Englert, U.","Synthesis of tetrahalide dianions directed by crystal engineering","CrystEngComm","2015","17","35","6641","","10.1039/C5CE01288K","","","0.71073","MoKα","","0.0555","0.039","","","0.0892","0.0965","","","","","","0.983","","","","has coordinates,has disorder","171030","2020-10-21","18:00:00",""
"7221746","5.7078","0.0005","11.5383","0.001","12.198","0.001","62.864","0.001","79.418","0.0012","76.98","0.0012","693.5","0.1","100.15","","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C11 H14 Br N4 O3 S -","- C11 H14 Br N4 O3 S -","- C22 H28 Br2 N8 O6 S2 -","2","1","","Pan, F.; Puttreddy, R.; Rissanen, K.; Englert, U.","Synthesis of tetrahalide dianions directed by crystal engineering","CrystEngComm","2015","17","35","6641","","10.1039/C5CE01288K","","","0.71073","MoKα","","0.0399","0.0357","","","0.0822","0.0848","","","","","","1.053","","","","has coordinates","171030","2020-10-21","18:00:00",""
"7221747","5.709","0.003","11.532","0.006","12.116","0.006","62.675","0.008","79.693","0.009","77.507","0.009","689","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H28 Br2 N8 O5 S2 -","- C22 H28 Br2 N8 O5 S2 -","- C22 H28 Br2 N8 O5 S2 -","1","0.5","","Pan, F.; Puttreddy, R.; Rissanen, K.; Englert, U.","Synthesis of tetrahalide dianions directed by crystal engineering","CrystEngComm","2015","17","35","6641","","10.1039/C5CE01288K","","","0.71073","MoKα","","0.082","0.0551","","","0.1073","0.1182","","","","","","0.999","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221748","5.7879","0.0014","11.983","0.003","12.568","0.003","61.725","0.003","87.456","0.002","76.227","0.002","743.2","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H11 I2 N4 O2 S -","- C10 H11 I2 N4 O2 S -","- C20 H22 I4 N8 O4 S2 -","2","1","","Pan, F.; Puttreddy, R.; Rissanen, K.; Englert, U.","Synthesis of tetrahalide dianions directed by crystal engineering","CrystEngComm","2015","17","35","6641","","10.1039/C5CE01288K","","","0.71073","MoKα","","0.065","0.0428","","","0.0873","0.0969","","","","","","1.028","","","","has coordinates","171030","2020-10-21","18:00:00",""
"7221749","8.0577","0.0009","10.8694","0.0012","11.7471","0.0013","84.291","0.002","74.23","0.002","85.792","0.002","984.05","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H17 I3 N4 O4 S -","- C12 H17 I3 N4 O4 S -","- C24 H34 I6 N8 O8 S2 -","2","1","","Pan, F.; Puttreddy, R.; Rissanen, K.; Englert, U.","Synthesis of tetrahalide dianions directed by crystal engineering","CrystEngComm","2015","17","35","6641","","10.1039/C5CE01288K","","","0.71073","MoKα","","0.036","0.0312","","","0.0754","0.0788","","","","","","1.025","","","","has coordinates","171030","2020-10-21","18:00:00",""
"7221750","8.004","0.002","11.247","0.003","11.473","0.003","83.925","0.004","89.442","0.004","72.371","0.004","978.5","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H11 I5 N4 O2 S -","- C10 H11 I5 N4 O2 S -","- C20 H22 I10 N8 O4 S2 -","2","1","","Pan, F.; Puttreddy, R.; Rissanen, K.; Englert, U.","Synthesis of tetrahalide dianions directed by crystal engineering","CrystEngComm","2015","17","35","6641","","10.1039/C5CE01288K","","","0.71073","MoKα","","0.0633","0.0475","","","0.1162","0.1252","","","","","","1.07","","","","has coordinates","171030","2020-10-21","18:00:00",""
"7221751","7.8759","0.0001","5.7834","0.0001","13.323","0.0002","90","","93.877","0.001","90","","605.467","0.016","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H14 O3 -","- C14 H14 O3 -","- C28 H28 O6 -","2","1","","Tang, Gui-Mei; Wang, Jin-Hua; Zhao, Chao; Wang, Yong-Tao; Cui, Yue-Zhi; Cheng, Fei-Yue; Ng, Seik Weng","Multi odd‒even effects on cell parameters, melting points, and optical properties of chiral crystal solids based on S-naproxen","CrystEngComm","2015","17","38","7258","","10.1039/C5CE01345C","","","0.71073","MoKα","","0.0324","0.0303","","","0.0826","0.0853","","","","","","1.024","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221752","5.8912","0.0001","7.9258","0.0002","28.6878","0.0005","90","","90","","90","","1339.5","0.05","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 O3 -","- C15 H16 O3 -","- C60 H64 O12 -","4","1","","Tang, Gui-Mei; Wang, Jin-Hua; Zhao, Chao; Wang, Yong-Tao; Cui, Yue-Zhi; Cheng, Fei-Yue; Ng, Seik Weng","Multi odd‒even effects on cell parameters, melting points, and optical properties of chiral crystal solids based on S-naproxen","CrystEngComm","2015","17","38","7258","","10.1039/C5CE01345C","","","0.71073","MoKα","","0.0589","0.041","","","0.1358","0.1536","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221753","8.1459","0.0009","5.8321","0.0006","15.364","0.0012","90","","102.919","0.005","90","","711.43","0.12","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H18 O3 -","- C16 H18 O3 -","- C32 H36 O6 -","2","1","","Tang, Gui-Mei; Wang, Jin-Hua; Zhao, Chao; Wang, Yong-Tao; Cui, Yue-Zhi; Cheng, Fei-Yue; Ng, Seik Weng","Multi odd‒even effects on cell parameters, melting points, and optical properties of chiral crystal solids based on S-naproxen","CrystEngComm","2015","17","38","7258","","10.1039/C5CE01345C","","","0.71073","MoKα","","0.0845","0.0498","","","0.1366","0.1646","","","","","","1.042","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221754","5.6809","0.0012","8.0485","0.0017","33.742","0.007","90","","90","","90","","1542.8","0.6","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 O3 -","- C17 H20 O3 -","- C68 H80 O12 -","4","1","","Tang, Gui-Mei; Wang, Jin-Hua; Zhao, Chao; Wang, Yong-Tao; Cui, Yue-Zhi; Cheng, Fei-Yue; Ng, Seik Weng","Multi odd‒even effects on cell parameters, melting points, and optical properties of chiral crystal solids based on S-naproxen","CrystEngComm","2015","17","38","7258","","10.1039/C5CE01345C","","","0.71073","MoKα","","0.0753","0.0505","","","0.1393","0.1551","","","","","","1.068","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221755","8.067","0.002","5.7361","0.0015","17.495","0.005","90","","100.528","0.004","90","","795.9","0.4","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H22 O3 -","- C18 H22 O3 -","- C36 H44 O6 -","2","1","","Tang, Gui-Mei; Wang, Jin-Hua; Zhao, Chao; Wang, Yong-Tao; Cui, Yue-Zhi; Cheng, Fei-Yue; Ng, Seik Weng","Multi odd‒even effects on cell parameters, melting points, and optical properties of chiral crystal solids based on S-naproxen","CrystEngComm","2015","17","38","7258","","10.1039/C5CE01345C","","","0.71073","MoKα","","0.1394","0.0509","","","0.0782","0.0976","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221756","5.806","0.004","8.297","0.006","37.02","0.02","90","","90","","90","","1783","2","566","2","566","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 O3 -","- C19 H24 O3 -","- C76 H96 O12 -","4","1","","Tang, Gui-Mei; Wang, Jin-Hua; Zhao, Chao; Wang, Yong-Tao; Cui, Yue-Zhi; Cheng, Fei-Yue; Ng, Seik Weng","Multi odd‒even effects on cell parameters, melting points, and optical properties of chiral crystal solids based on S-naproxen","CrystEngComm","2015","17","38","7258","","10.1039/C5CE01345C","","","0.71073","MoKα","","0.1118","0.0694","","","0.2","0.2304","","","","","","1.03","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221757","15.455","0.005","15.455","0.005","56.103","0.004","90","","90","","120","","11605","5","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","H[Na6(H2O)12Ce2(dipic)6(NO3)]?18H2O","","- C42 H79 Ce2 N7 Na6 O57 -","- C42 H18 Ce2 N7 Na6 O57 -","- C252 H108 Ce12 N42 Na36 O342 -","6","0.166667","","Elahi, Syed Meheboob; Rajasekharan, M. V.","Spherical octanuclear clusters in a Na‒Ln‒dipic system ‒ encapsulation of a nitrate ion and incorporation of water nonamers and dodecamers","CrystEngComm","2015","17","37","7191","","10.1039/C5CE00843C","","","0.71073","MoKα","","0.0579","0.055","","","0.172","0.1766","","","","","","1.055","","","","has coordinates","171066","2020-10-21","18:00:00",""
"7221758","15.4376","0.0016","15.4376","0.0016","56.468","0.005","90","","90","","120","","11654","2","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","H[Na6(H2O)12Pr2(dipic)6(NO3)]?18H2O","","- C42 H79 N7 Na6 O57 Pr2 -","- C42 H18 N7 Na6 O57 Pr2 -","- C252 H108 N42 Na36 O342 Pr12 -","6","0.166667","","Elahi, Syed Meheboob; Rajasekharan, M. V.","Spherical octanuclear clusters in a Na‒Ln‒dipic system ‒ encapsulation of a nitrate ion and incorporation of water nonamers and dodecamers","CrystEngComm","2015","17","37","7191","","10.1039/C5CE00843C","","","0.71073","MoKα","","0.0757","0.0717","","","0.1955","0.1999","","","","","","1.097","","","","has coordinates","171066","2020-10-21","18:00:00",""
"7221759","15.403","0.0007","15.403","0.0007","56.461","0.005","90","","90","","120","","11600.9","1.3","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","H[Na6(H2O)12Nd2(dipic)6(NO3)]?18H2O","","- C42 H79 N7 Na6 Nd2 O57 -","- C42 H18 N7 Na6 Nd2 O57 -","- C252 H108 N42 Na36 Nd12 O342 -","6","0.166667","","Elahi, Syed Meheboob; Rajasekharan, M. V.","Spherical octanuclear clusters in a Na‒Ln‒dipic system ‒ encapsulation of a nitrate ion and incorporation of water nonamers and dodecamers","CrystEngComm","2015","17","37","7191","","10.1039/C5CE00843C","","","0.71073","MoKα","","0.0733","0.0694","","","0.1882","0.1916","","","","","","1.066","","","","has coordinates","171066","2020-10-21","18:00:00",""
"7221760","15.4098","0.0006","15.4098","0.0006","55.88","0.004","90","","90","","120","","11491.6","1","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","[Na6(H2O)12Ce2(dipic)6]?21H2O","","- C21 H45 Ce N3 Na3 O30 -","- C21 H9 Ce N3 Na3 O31.5 -","- C252 H108 Ce12 N36 Na36 O378 -","12","0.333333","","Elahi, Syed Meheboob; Rajasekharan, M. V.","Spherical octanuclear clusters in a Na–Ln–dipic system – encapsulation of a nitrate ion and incorporation of water nonamers and dodecamers","CrystEngComm","2015","17","37","7191","","10.1039/C5CE00843C","","","0.71073","MoKα","","0.1121","0.1037","","","0.3783","0.4227","","","","","","2.066","","","","has coordinates","287753","2023-11-23","09:34:45",""
"7221761","6.5261","0.0003","7.3488","0.0003","7.6401","0.0003","96.998","0.003","100.396","0.003","113.411","0.003","323.04","0.03","296","2","293","2","","","","","","","","5","P -1","-P 1","2","4-iodo-5-methylisoxazol-3-amine","4-iodo-5-methylisoxazol-3-amine","","- C4 H5 I N2 O -","- C4 H5 I N2 O -","- C8 H10 I2 N4 O2 -","2","1","","Martins, M. A. P.; Meyer, A. R.; Tier, A. Z.; Longhi, K.; Ducati, L. C.; Bonacorso, H. G.; Zanatta, N.; Frizzo, C. P.","Proposal for crystallization of 3-amino-4-halo-5-methylisoxazoles: an energetic and topological approach","CrystEngComm","2015","17","38","7381","","10.1039/C5CE01295C","","","0.71073","MoKα","","0.0256","0.0219","","","0.0511","0.0531","","","","","","1.077","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221762","6.9082","0.0003","12.2055","0.0007","14.282","0.0008","90","","90","","90","","1204.23","0.11","296","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","4-chloro-5-methylisoxazol-3-amine","4-chloro-5-methylisoxazol-3-amine","","- C4 H5 Cl N2 O -","- C4 H5 Cl N2 O -","- C32 H40 Cl8 N16 O8 -","8","1","","Martins, M. A. P.; Meyer, A. R.; Tier, A. Z.; Longhi, K.; Ducati, L. C.; Bonacorso, H. G.; Zanatta, N.; Frizzo, C. P.","Proposal for crystallization of 3-amino-4-halo-5-methylisoxazoles: an energetic and topological approach","CrystEngComm","2015","17","38","7381","","10.1039/C5CE01295C","","","0.71073","MoKα","","0.0557","0.0467","","","0.1322","0.1455","","","","","","1.058","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221763","6.4176","0.0007","7.1023","0.0009","7.537","0.001","94.502","0.008","100.535","0.007","115.558","0.006","299.86","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","4-bromo-5-methylisoxazol-3-amine","4-bromo-5-methylisoxazol-3-amine","","- C4 H5 Br N2 O -","- C4 H5 Br N2 O -","- C8 H10 Br2 N4 O2 -","2","1","","Martins, M. A. P.; Meyer, A. R.; Tier, A. Z.; Longhi, K.; Ducati, L. C.; Bonacorso, H. G.; Zanatta, N.; Frizzo, C. P.","Proposal for crystallization of 3-amino-4-halo-5-methylisoxazoles: an energetic and topological approach","CrystEngComm","2015","17","38","7381","","10.1039/C5CE01295C","","","0.71073","MoKα","","0.0331","0.0236","","","0.0575","0.061","","","","","","1.051","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221777","45.2139","0.0005","20.4624","0.0002","28.0974","0.0003","90","","100.59","0.0012","90","","25552.5","0.5","150","","150","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C116 H130 Cl1.5 Dy2 F24 N9.5 O18 -","- C116 H130 Cl1.5 Dy2 F24 N9.5 O18 -","- C928 H1040 Cl12 Dy16 F192 N76 O144 -","8","1","","Chen, Peng; Li, Hongfeng; Sun, Wenbin; Tang, Jinkui; Zhang, Lei; Yan, Pengfei","Crystallization of triple- and quadruple-stranded dinuclear bis-β-diketonate-Dy(iii) helicates: single molecule magnetic behavior","CrystEngComm","2015","17","37","7227","","10.1039/C5CE01067E","","","0.71073","MoKα","","0.0742","0.0593","","","0.1665","0.1802","","","","","","1.028","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221778","12.1694","0.0004","19.7909","0.0005","21.6427","0.0006","66.933","0.003","75.128","0.003","87.379","0.002","4626.3","0.3","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C95 H72.5 Dy2 F18 N7.5 O14 -","- C95 H72.5 Dy2 F18 N7.5 O14 -","- C190 H145 Dy4 F36 N15 O28 -","2","1","","Chen, Peng; Li, Hongfeng; Sun, Wenbin; Tang, Jinkui; Zhang, Lei; Yan, Pengfei","Crystallization of triple- and quadruple-stranded dinuclear bis-β-diketonate-Dy(iii) helicates: single molecule magnetic behavior","CrystEngComm","2015","17","37","7227","","10.1039/C5CE01067E","","","0.71073","MoKα","","0.0432","0.0338","","","0.0849","0.0906","","","","","","1.042","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221779","8.2376","0.0006","8.5362","0.0007","10.4219","0.0009","94.615","0.007","98.69","0.007","99.967","0.007","709.21","0.1","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H17 N O2 -","- C17 H17 N O2 -","- C34 H34 N2 O4 -","2","1","","Chen, Peng; Li, Hongfeng; Sun, Wenbin; Tang, Jinkui; Zhang, Lei; Yan, Pengfei","Crystallization of triple- and quadruple-stranded dinuclear bis-β-diketonate-Dy(iii) helicates: single molecule magnetic behavior","CrystEngComm","2015","17","37","7227","","10.1039/C5CE01067E","","","0.71073","MoKα","","0.0739","0.0476","","","0.1089","0.1295","","","","","","1.031","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221785","8.2085","0.0012","9.8703","0.0014","17.3769","0.0019","83.411","0.01","82.267","0.01","73.463","0.013","1333","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H24 Cu2 N4 O8 S2 -","- C26 H24 Cu2 N4 O8 S2 -","- C52 H48 Cu4 N8 O16 S4 -","2","1","","Singh, Suryabhan; Karthik, Rajendran","Structural diversities in Cu(i) and Ag(i) sulfonate coordination polymers and their anion exchange properties","CrystEngComm","2015","17","38","7363","","10.1039/C5CE01452B","","","0.71073","MoKα","","0.1579","0.0939","","","0.1892","0.2334","","","","","","1.033","","","","has coordinates","171008","2020-10-21","18:00:00",""
"7221786","8.2505","0.0008","10.2487","0.0011","16.795","0.002","86.545","0.006","86.59","0.006","75.057","0.005","1368.2","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H24 Ag2 N4 O8 S2 -","- C26 H24 Ag2 N4 O8 S2 -","- C52 H48 Ag4 N8 O16 S4 -","2","1","","Singh, Suryabhan; Karthik, Rajendran","Structural diversities in Cu(i) and Ag(i) sulfonate coordination polymers and their anion exchange properties","CrystEngComm","2015","17","38","7363","","10.1039/C5CE01452B","","","0.71073","MoKα","","0.0448","0.0327","","","0.0708","0.0774","","","","","","0.999","","","","has coordinates,has disorder","171008","2020-10-21","18:00:00",""
"7221787","10.645","0.002","15.367","0.003","19.59","0.004","80.844","0.01","83.69","0.011","85.182","0.01","3137.3","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H40 Cu4 N16 O18 S4 -","- C52 H40 Cu4 N16 O18 S4 -","- C104 H80 Cu8 N32 O36 S8 -","2","1","","Singh, Suryabhan; Karthik, Rajendran","Structural diversities in Cu(i) and Ag(i) sulfonate coordination polymers and their anion exchange properties","CrystEngComm","2015","17","38","7363","","10.1039/C5CE01452B","","","0.71073","MoKα","","0.119","0.0588","","","0.1407","0.1691","","","","","","1.021","","","","has coordinates,has disorder","171008","2020-10-21","18:00:00",""
"7221788","7.0225","0.0007","13.2448","0.0014","19.1007","0.0018","71.555","0.004","79.412","0.002","74.632","0.002","1615.3","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H28 Ag2 N8 O10 S2 -","- C26 H28 Ag2 N8 O10 S2 -","- C52 H56 Ag4 N16 O20 S4 -","2","1","","Singh, Suryabhan; Karthik, Rajendran","Structural diversities in Cu(i) and Ag(i) sulfonate coordination polymers and their anion exchange properties","CrystEngComm","2015","17","38","7363","","10.1039/C5CE01452B","","","0.71073","MoKα","","0.2282","0.0585","","","0.0638","0.0888","","","","","","0.973","","","","has coordinates","171008","2020-10-21","18:00:00",""
"7221789","7.399","0.003","18.503","0.006","12.632","0.005","90","","98.79","0.02","90","","1709.1","1.1","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C15 H12 Ag N2 O5 S -","- C15 H12 Ag N2 O5 S -","- C60 H48 Ag4 N8 O20 S4 -","4","1","","Singh, Suryabhan; Karthik, Rajendran","Structural diversities in Cu(i) and Ag(i) sulfonate coordination polymers and their anion exchange properties","CrystEngComm","2015","17","38","7363","","10.1039/C5CE01452B","","","0.71073","MoKα","","0.28","0.0931","","","0.208","0.286","","","","","","0.918","","","","has coordinates","171008","2020-10-21","18:00:00",""
"7221790","14.5639","0.0006","14.7235","0.0006","19.5511","0.0008","72.143","0.002","70.919","0.002","77.78","0.002","3742.1","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H82 Ag4 N8 O21 S4 -","- C64 H82 Ag4 N8 O21 S4 -","- C128 H164 Ag8 N16 O42 S8 -","2","1","","Singh, Suryabhan; Karthik, Rajendran","Structural diversities in Cu(i) and Ag(i) sulfonate coordination polymers and their anion exchange properties","CrystEngComm","2015","17","38","7363","","10.1039/C5CE01452B","","","0.71073","MoKα","","0.1918","0.0589","","","0.1131","0.1507","","","","","","0.952","","","","has coordinates","171008","2020-10-21","18:00:00",""
"7221791","8.658","0.0006","10.2661","0.0007","13.9044","0.0009","76.212","0.001","72.962","0.001","72.097","0.001","1109.39","0.13","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H36 Cl0 Co N10 O14 -","- C50 H36 Co N10 O14 -","- C50 H36 Co N10 O14 -","1","0.5","","Wang, Xiu-Li; Sha, Xiao-Ting; Liu, Guo-Cheng; Chen, Nai-Li; Tian, Yuan","Polycarboxylate-directed various Co(ii) complexes based on a “V”-like bis-pyridyl-bis-amide derivative: construction, electrochemical and photocatalytic properties","CrystEngComm","2015","17","38","7290","","10.1039/C5CE01239B","","","0.71073","MoKα","","0.0411","0.0342","","","0.0957","0.1007","","","","","","1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221792","7.2427","0.0004","25.0077","0.0014","15.4019","0.0008","90","","99.477","0.001","90","","2751.6","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H25 Cl0 Co N5 O13 -","- C26 H23 Co N5 O13 -","- C104 H92 Co4 N20 O52 -","4","1","","Wang, Xiu-Li; Sha, Xiao-Ting; Liu, Guo-Cheng; Chen, Nai-Li; Tian, Yuan","Polycarboxylate-directed various Co(ii) complexes based on a “V”-like bis-pyridyl-bis-amide derivative: construction, electrochemical and photocatalytic properties","CrystEngComm","2015","17","38","7290","","10.1039/C5CE01239B","","","0.71073","MoKα","","0.0749","0.0559","","","0.1495","0.1631","","","","","","1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221793","10.0924","0.0006","11.0595","0.0007","13.9619","0.0008","66.831","0.001","83.421","0.001","71.279","0.001","1356.77","0.14","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H26 Cl0 Co N4 O11 -","- C26 H26 Co N4 O11 -","- C52 H52 Co2 N8 O22 -","2","1","","Wang, Xiu-Li; Sha, Xiao-Ting; Liu, Guo-Cheng; Chen, Nai-Li; Tian, Yuan","Polycarboxylate-directed various Co(ii) complexes based on a “V”-like bis-pyridyl-bis-amide derivative: construction, electrochemical and photocatalytic properties","CrystEngComm","2015","17","38","7290","","10.1039/C5CE01239B","","","0.71073","MoKα","","0.0615","0.0412","","","0.0976","0.1072","","","","","","1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221794","10.0129","0.0019","10.724","0.002","13.961","0.003","73.385","0.003","73.609","0.004","64.888","0.003","1278.2","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H24 Cl0 Co N4 O11 -","- C26 H24 Co N4 O11 -","- C52 H48 Co2 N8 O22 -","2","1","","Wang, Xiu-Li; Sha, Xiao-Ting; Liu, Guo-Cheng; Chen, Nai-Li; Tian, Yuan","Polycarboxylate-directed various Co(ii) complexes based on a “V”-like bis-pyridyl-bis-amide derivative: construction, electrochemical and photocatalytic properties","CrystEngComm","2015","17","38","7290","","10.1039/C5CE01239B","","","0.71073","MoKα","","0.0872","0.0685","","","0.1969","0.2136","","","","","","1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221795","9.9555","0.0006","16.481","0.001","16.1393","0.001","90","","100.673","0.001","90","","2602.3","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 Cl0 Co N4 O9 -","- C27 H22 Co N4 O9 -","- C108 H88 Co4 N16 O36 -","4","1","","Wang, Xiu-Li; Sha, Xiao-Ting; Liu, Guo-Cheng; Chen, Nai-Li; Tian, Yuan","Polycarboxylate-directed various Co(ii) complexes based on a “V”-like bis-pyridyl-bis-amide derivative: construction, electrochemical and photocatalytic properties","CrystEngComm","2015","17","38","7290","","10.1039/C5CE01239B","","","0.71073","MoKα","","0.055","0.0385","","","0.0986","0.1077","","","","","","1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221796","12.6867","0.0007","27.5595","0.0015","15.8184","0.0008","90","","90","","90","","5530.7","0.5","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C54 H46 Co3 N8 O24 -","- C54 H42 Co3 N8 O22 -","- C216 H168 Co12 N32 O88 -","4","0.5","","Wang, Xiu-Li; Sha, Xiao-Ting; Liu, Guo-Cheng; Chen, Nai-Li; Tian, Yuan","Polycarboxylate-directed various Co(ii) complexes based on a “V”-like bis-pyridyl-bis-amide derivative: construction, electrochemical and photocatalytic properties","CrystEngComm","2015","17","38","7290","","10.1039/C5CE01239B","","","0.71073","MoKα","","0.0941","0.0783","","","0.1602","0.1676","","","","","","1.001","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221797","14.5284","0.0019","15.754","0.002","16.91","0.002","90","","93.141","0.002","90","","3864.6","0.8","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H52 N8 O44 Si W12 -","- C52 H52 N8 O44 Si W12 -","- C104 H104 N16 O88 Si2 W24 -","2","0.5","","Han, Zhan-Gang; Liu, Yun-Ping; Zhao, Xiao-Fang; Yan, Jin-Shuang; Zhai, Xue-Liang","Polyanionic clusters embedded in lattice-type hydrogen bonding networks involving in situ bond activation and coupling of organic cations","CrystEngComm","2015","17","38","7339","","10.1039/C5CE01220A","","","0.71073","MoKα","","0.0802","0.0544","","","0.1148","0.1299","","","","","","1.043","","","","has coordinates","171017","2020-10-21","18:00:00",""
"7221798","21.61","0.003","21.283","0.003","16.8259","0.0019","90","","99.207","0.002","90","","7639","1.7","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H44 Al Co N8 O43 W12 -","- C52 H38 Al Co N8 O43 W12 -","- C208 H152 Al4 Co4 N32 O172 W48 -","4","0.5","","Han, Zhan-Gang; Liu, Yun-Ping; Zhao, Xiao-Fang; Yan, Jin-Shuang; Zhai, Xue-Liang","Polyanionic clusters embedded in lattice-type hydrogen bonding networks involving in situ bond activation and coupling of organic cations","CrystEngComm","2015","17","38","7339","","10.1039/C5CE01220A","","","0.71073","MoKα","","0.0913","0.073","","","0.167","0.1759","","","","","","1.069","","","","has coordinates","171017","2020-10-21","18:00:00",""
"7221799","18.53745","0.00008","18.53745","0.00008","18.53745","0.00008","90","","90","","90","","6370.15","0.05","100","2","100","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","Triaqua-tris(bis(trifluoromethylsulfonyl)imide-O,O')-praseodymium(iii)","","- C6 H6 F18 N3 O15 Pr S6 -","- C6 F18 N3 O15 Pr S6 -","- C48 F144 N24 O120 Pr8 S48 -","8","0.666667","","Vander Hoogerstraete, Tom; Brooks, Neil R.; Onghena, Bieke; Van Meervelt, Luc; Binnemans, Koen","Crystal structures of hydrated rare-earth bis(trifluoromethylsulfonyl)imide salts","CrystEngComm","2015","17","37","7142","","10.1039/C5CE01270H","","","0.71073","MoKα","","0.0542","0.0519","","","0.1233","0.1244","","","","","","1.185","","","","has coordinates","171069","2020-10-21","18:00:00",""
"7221800","15.5598","0.0015","15.5598","0.0015","8.2562","0.0009","90","","90","","120","","1731.1","0.3","100","2","100","2","","","","","","","","7","P -3","-P 3","147","","Triaqua-tris(bis(trifluoromethylsulfonyl)imide-O,O')-lanthanum(iii)hemi(pentahydrate)","","- C6 H11 F18 La N3 O17.5 S6 -","- C6 F18 La N3 O17.52 S6 -","- C12 F36 La2 N6 O35.04 S12 -","2","0.333333","","Vander Hoogerstraete, Tom; Brooks, Neil R.; Onghena, Bieke; Van Meervelt, Luc; Binnemans, Koen","Crystal structures of hydrated rare-earth bis(trifluoromethylsulfonyl)imide salts","CrystEngComm","2015","17","37","7142","","10.1039/C5CE01270H","","","0.71073","MoKα","","0.099","0.095","","","0.2136","0.2155","","","","","","1.187","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7221801","18.4695","0.0002","18.4695","0.0002","18.4695","0.0002","90","","90","","90","","6300.36","0.12","100","2","100","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","Triaqua-tris(bis(trifluoromethylsulfonyl)imide-O,O')-neodinium(iii)","","- C6 H6 F18 N3 Nd O15 S6 -","- C6 H6 F18 N3 Nd O15 S6 -","- C48 H48 F144 N24 Nd8 O120 S48 -","8","0.666667","","Vander Hoogerstraete, Tom; Brooks, Neil R.; Onghena, Bieke; Van Meervelt, Luc; Binnemans, Koen","Crystal structures of hydrated rare-earth bis(trifluoromethylsulfonyl)imide salts","CrystEngComm","2015","17","37","7142","","10.1039/C5CE01270H","","x-ray","0.71073","MoKα","","0.0497","0.0439","","","0.1054","0.1099","","","","","","1.077","","","","has coordinates","171069","2020-10-21","18:00:00",""
"7221802","8.8946","0.0004","19.9678","0.001","18.779","0.0008","90","","98.166","0.005","90","","3301.4","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Heptaaqua-scandium(iii) tris(bis(trifluoromethylsulfonyl)imide) hydrate","","- C6 H16 F18 N3 O20 S6 Sc -","- C6 H16 F18 N3 O20 S6 Sc -","- C24 H64 F72 N12 O80 S24 Sc4 -","4","1","","Vander Hoogerstraete, Tom; Brooks, Neil R.; Onghena, Bieke; Van Meervelt, Luc; Binnemans, Koen","Crystal structures of hydrated rare-earth bis(trifluoromethylsulfonyl)imide salts","CrystEngComm","2015","17","37","7142","","10.1039/C5CE01270H","","","0.71073","MoKα","","0.0402","0.0318","","","0.0695","0.0736","","","","","","1.046","","","","has coordinates","171069","2020-10-21","18:00:00",""
"7221803","12.9489","0.0003","18.4605","0.0005","12.9858","0.0003","90","","94.507","0.002","90","","3094.57","0.13","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","pentaaqua-tris(bis(trifluoromethylsulfonyl)imide-O)-samarium(iii)","","- C6 H10 F18 N3 O17 S6 Sm -","- C6 H10 F18 N3 O17 S6 Sm -","- C24 H40 F72 N12 O68 S24 Sm4 -","4","1","","Vander Hoogerstraete, Tom; Brooks, Neil R.; Onghena, Bieke; Van Meervelt, Luc; Binnemans, Koen","Crystal structures of hydrated rare-earth bis(trifluoromethylsulfonyl)imide salts","CrystEngComm","2015","17","37","7142","","10.1039/C5CE01270H","","","0.71073","MoKα","","0.0265","0.0222","","","0.0503","0.0527","","","","","","1.038","","","","has coordinates","171069","2020-10-21","18:00:00",""
"7221804","18.3973","0.0002","18.3973","0.0002","18.3973","0.0002","90","","90","","90","","6226.76","0.12","100","2","100","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","Triaqua-tris(bis(trifluoromethylsulfonyl)imide-O,O')-gadolinium(iii)","","- C6 H6 F18 Gd N3 O15 S6 -","- C6 H6 F18 Gd N3 O15 S6 -","- C48 H48 F144 Gd8 N24 O120 S48 -","8","0.666667","","Vander Hoogerstraete, Tom; Brooks, Neil R.; Onghena, Bieke; Van Meervelt, Luc; Binnemans, Koen","Crystal structures of hydrated rare-earth bis(trifluoromethylsulfonyl)imide salts","CrystEngComm","2015","17","37","7142","","10.1039/C5CE01270H","","","0.71073","MoKα","","0.0202","0.0184","","","0.0394","0.0403","","","","","","1.06","","","","has coordinates","171069","2020-10-21","18:00:00",""
"7221805","12.8735","0.0006","18.3588","0.0009","12.9082","0.0006","90","","94.119","0.004","90","","3042.9","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","pentaaqua-tris(bis(trifluoromethylsulfonyl)imide-O)-dysprosium(iii)","","- C6 H10 Dy F18 N3 O17 S6 -","- C6 H10 Dy F18 N3 O17 S6 -","- C24 H40 Dy4 F72 N12 O68 S24 -","4","1","","Vander Hoogerstraete, Tom; Brooks, Neil R.; Onghena, Bieke; Van Meervelt, Luc; Binnemans, Koen","Crystal structures of hydrated rare-earth bis(trifluoromethylsulfonyl)imide salts","CrystEngComm","2015","17","37","7142","","10.1039/C5CE01270H","","","0.71073","MoKα","","0.0267","0.0222","","","0.0485","0.051","","","","","","1.041","","","","has coordinates","171069","2020-10-21","18:00:00",""
"7221806","18.51715","0.00013","18.51715","0.00013","18.51715","0.00013","90","","90","","90","","6349.25","0.08","100","2","100","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","Triaqua-tris(bis(trifluoromethylsulfonyl)imide-O,O')-cerium(iii)","","- C6 H6 Ce F18 N3 O15 S6 -","- C6 H6 Ce F18 N3 O15 S6 -","- C48 H48 Ce8 F144 N24 O120 S48 -","8","0.666667","","Vander Hoogerstraete, Tom; Brooks, Neil R.; Onghena, Bieke; Van Meervelt, Luc; Binnemans, Koen","Crystal structures of hydrated rare-earth bis(trifluoromethylsulfonyl)imide salts","CrystEngComm","2015","17","37","7142","","10.1039/C5CE01270H","","","0.71073","MoKα","","0.0361","0.0319","","","0.068","0.0705","","","","","","1.024","","","","has coordinates","171069","2020-10-21","18:00:00",""
"7221807","12.9085","0.0003","18.369","0.0004","12.9307","0.0003","90","","94.275","0.002","90","","3057.55","0.12","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","pentaaqua-tris(bis(trifluoromethylsulfonyl)imide-O)-terbium(iii)","","- C6 H10 F18 N3 O17 S6 Tb -","- C6 H10 F18 N3 O17 S6 Tb -","- C24 H40 F72 N12 O68 S24 Tb4 -","4","1","","Vander Hoogerstraete, Tom; Brooks, Neil R.; Onghena, Bieke; Van Meervelt, Luc; Binnemans, Koen","Crystal structures of hydrated rare-earth bis(trifluoromethylsulfonyl)imide salts","CrystEngComm","2015","17","37","7142","","10.1039/C5CE01270H","","","0.71073","MoKα","","0.0246","0.02","","","0.0436","0.0454","","","","","","1.017","","","","has coordinates","171069","2020-10-21","18:00:00",""
"7221808","12.8788","0.0004","18.2797","0.0007","12.8814","0.0005","90","","94.524","0.003","90","","3023.1","0.19","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","pentaaqua-tris(bis(trifluoromethylsulfonyl)imide-O)-erbium(iii)","","- C6 H10 Er F18 N3 O17 S6 -","- C6 H10 Er F18 N3 O17 S6 -","- C24 H40 Er4 F72 N12 O68 S24 -","4","1","","Vander Hoogerstraete, Tom; Brooks, Neil R.; Onghena, Bieke; Van Meervelt, Luc; Binnemans, Koen","Crystal structures of hydrated rare-earth bis(trifluoromethylsulfonyl)imide salts","CrystEngComm","2015","17","37","7142","","10.1039/C5CE01270H","","","0.71073","MoKα","","0.0209","0.0173","","","0.0397","0.0411","","","","","","1.024","","","","has coordinates","171069","2020-10-21","18:00:00",""
"7221809","12.437","0.0006","14.0606","0.0007","32.3952","0.0016","90","","90","","90","","5665","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C50 H78 N0 Ni3 O22 -","- C50 H71 Ni3 O22 -","- C200 H284 Ni12 O88 -","4","1","","Lun, Hui-Jie; Cui, Sa-Sa; Li, Hai-Jiao; Ping, Qi; Song, Hao-Han; Li, Ya-Min; Ru, Yu; Bai, Yan-Long; Xiang, Sheng-Chang","A chiral coordination polymer with double coaxially nested helical chains exhibiting spin-canting antiferromagnetism","CrystEngComm","2015","17","37","7029","","10.1039/C5CE01378J","","","0.71073","MoKα","","0.0742","0.0618","","","0.1562","0.1622","","","","","","1.057","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221817","7.4378","0.0004","8.9941","0.0004","9.8914","0.0005","75.2719","0.0017","72.7974","0.0017","82.7345","0.0017","610.39","0.05","120","","120","","","","","","","","","5","P -1","-P 1","2","","diaquadi(N-4-pyridylnicotinamide)zinc(II)nitrate","","- C22 H22 N8 O10 Zn -","- C22 H22 N8 O10 Zn -","- C22 H22 N8 O10 Zn -","1","0.5","","Ghosh, Dipankar; Lebedytė, Ieva; Yufit, Dmitry S.; Damodaran, Krishna K.; Steed, Jonathan W.","Selective gelation of N-(4-pyridyl)nicotinamide by copper(ii) salts","CrystEngComm","2015","17","42","8130","","10.1039/C5CE00901D","","x-ray","0.71073","MoKα","","0.0463","0.0343","","","0.0736","0.0777","","","","","","1.04","","","","has coordinates,has disorder","171095","2020-10-21","18:00:00",""
"7221818","8.0578","0.0006","8.3568","0.0006","10.1944","0.0006","79.288","0.005","69.725","0.006","82.953","0.006","631.44","0.08","120","","120","","","","","","","","","5","P -1","-P 1","2","","di(N-4-pyridylnicotinamide)copper(II)acetate","","- C26 H24 Cu N6 O6 -","- C26 H24 Cu N6 O6 -","- C26 H24 Cu N6 O6 -","1","0.5","","Ghosh, Dipankar; Lebedytė, Ieva; Yufit, Dmitry S.; Damodaran, Krishna K.; Steed, Jonathan W.","Selective gelation of N-(4-pyridyl)nicotinamide by copper(ii) salts","CrystEngComm","2015","17","42","8130","","10.1039/C5CE00901D","","","0.71073","MoKα","","0.0403","0.0348","","","0.0768","0.081","","","","","","1.08","","","","has coordinates","171095","2020-10-21","18:00:00",""
"7221819","7.3668","0.0005","9.1365","0.0006","9.9565","0.0006","76.1428","0.0018","73.5323","0.0018","83.61","0.002","623.27","0.07","120","","120","","","","","","","","","5","P -1","-P 1","2","","diaquadi(N-4-pyridylnicotinamide)cadmium(II)nitrate","","- C22 H22 Cd N8 O10 -","- C22 H22 Cd N8 O10 -","- C22 H22 Cd N8 O10 -","1","0.5","","Ghosh, Dipankar; Lebedytė, Ieva; Yufit, Dmitry S.; Damodaran, Krishna K.; Steed, Jonathan W.","Selective gelation of N-(4-pyridyl)nicotinamide by copper(ii) salts","CrystEngComm","2015","17","42","8130","","10.1039/C5CE00901D","","x-ray","0.71073","MoKα","","0.0595","0.0592","","","0.1492","0.1497","","","","","","1.072","","","","has coordinates,has disorder","171095","2020-10-21","18:00:00",""
"7221820","16.3055","0.0003","22.8004","0.0004","15.2496","0.0003","90","","97.353","0.002","90","","5622.75","0.18","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","aquadi(N-4-pyridylnicotinamide)cadmium(II)acetate dihydrate","","- C26 H30 Cd N6 O9 -","- C26 H30 Cd N6 O9 -","- C208 H240 Cd8 N48 O72 -","8","2","","Ghosh, Dipankar; Lebedytė, Ieva; Yufit, Dmitry S.; Damodaran, Krishna K.; Steed, Jonathan W.","Selective gelation of N-(4-pyridyl)nicotinamide by copper(ii) salts","CrystEngComm","2015","17","42","8130","","10.1039/C5CE00901D","","x-ray","0.71073","MoKα","","0.057","0.0329","","","0.0608","0.0675","","","","","","1.023","","","","has coordinates","171095","2020-10-21","18:00:00",""
"7221826","16.9149","0.0012","9.1324","0.0009","18.185","0.002","90","","92.98","0.01","90","","2805.3","0.5","300","","300","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H27 Cu Mn N2 O10 S4 -","- C36 H54 Cu2 Mn2 N4 O20 S8 -","- C72 H108 Cu4 Mn4 N8 O40 S16 -","2","0.5","","Kalisz, Marguerite; Cassaro, Rafael A. A.; Novak, Miguel A.; Andruh, Marius; Amorim, Helio S.; Vaz, Maria G. F.","A two-dimensional CuII‒MnIIheterometallic coordination polymer: structure determination using synchrotron X-ray powder diffraction and magnetic properties","CrystEngComm","2015","17","38","7423","","10.1039/C5CE01537E","powder diffraction","","","Synchrotron","","","","","","","","","6.6713","","","","","","","","has coordinates","171010","2020-10-21","18:00:00",""
"7221827","20.765","0.002","9.4741","0.0005","14.1307","0.0013","90","","101.612","0.008","90","","2723","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Cyt:phen","Cytosine:1,-10-phenanthroline","","- C16 H13 N5 O -","- C16 H13 N5 O -","- C128 H104 N40 O8 -","8","2","","Hoxha, Kreshnik; Case, David H.; Day, Graeme M.; Prior, Timothy J.","Co-crystallisation of cytosine with 1,10-phenanthroline: computational screening and experimental realisation","CrystEngComm","2015","17","37","7130","","10.1039/C5CE01286D","","","0.71073","MoKα","","0.1033","0.0644","","","0.1524","0.1684","","","","","","0.865","","","","has coordinates","171068","2020-10-21","18:00:00",""
"7221839","9.446","0.006","17.339","0.011","37.04","0.02","90","","90","","90","","6067","6","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Bis(S-N-(1-phenyl)ethylpyrrolo)tetrathiafulvalenetriiodide THF solvate 11.I3.0.5THF","","- C28 H26 I3 N2 O0.5 S4 -","- C28 H26 I3 N2 O0.5 S4 -","- C224 H208 I24 N16 O4 S32 -","8","2","","Martin, Lee; Yang, Songjie; Brooks, Andrew C.; Horton, Peter N.; Male, Louise; Moulfi, Ourida; Harmand, Lydie; Day, Peter; Clegg, William; Harrington, Ross W.; Wallis, John D.","Contrasting crystal packing arrangements in triiodide salts of radical cations of chiral bis(pyrrolo[3,4-d])tetrathiafulvalenes","CrystEngComm","2015","17","38","7354","","10.1039/C5CE01430A","","","0.6893","synchrotron","","0.1169","0.0763","","","0.1612","0.1774","","","","","","1.109","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221840","9.4562","0.0016","9.5572","0.0014","53.944","0.009","89.206","0.005","87.608","0.003","60.661","0.005","4246","1.2","120","2","120","2","","","","","","","","5","P 1","P 1","1","","Bis(S-N-(1-phenyl)ethylpyrrolo)tetrathiafulvalenetriiodide 11.I3","","- C26 H22 I3 N2 S4 -","- C26 H22 I3 N2 S4 -","- C156 H132 I18 N12 S24 -","6","6","","Martin, Lee; Yang, Songjie; Brooks, Andrew C.; Horton, Peter N.; Male, Louise; Moulfi, Ourida; Harmand, Lydie; Day, Peter; Clegg, William; Harrington, Ross W.; Wallis, John D.","Contrasting crystal packing arrangements in triiodide salts of radical cations of chiral bis(pyrrolo[3,4-d])tetrathiafulvalenes","CrystEngComm","2015","17","38","7354","","10.1039/C5CE01430A","","","0.71073","MoKα","","0.1848","0.0846","","","0.1534","0.1872","","","","","","1.044","","","","has coordinates","171014","2020-10-21","18:00:00",""
"7221841","25.5744","0.0005","8.9609","0.0002","19.6079","0.0005","90","","123.59","0.001","90","","3743.2","0.15","120","2","120","2","","","","","","","","6","C 1 2 1","C 2y","5","","Bis(R-N-(1-naphthyl)ethylpyrrolo)tetrathiafulvalene triiodide THF solvate 12.I3.THF","","- C38 H34 I3 N2 O S4 -","- C38 H34 I3 N2 O S4 -","- C152 H136 I12 N8 O4 S16 -","4","1","","Martin, Lee; Yang, Songjie; Brooks, Andrew C.; Horton, Peter N.; Male, Louise; Moulfi, Ourida; Harmand, Lydie; Day, Peter; Clegg, William; Harrington, Ross W.; Wallis, John D.","Contrasting crystal packing arrangements in triiodide salts of radical cations of chiral bis(pyrrolo[3,4-d])tetrathiafulvalenes","CrystEngComm","2015","17","38","7354","","10.1039/C5CE01430A","","","0.71073","MoKα","","0.0401","0.0359","","","0.0777","0.0806","","","","","","1.051","","","","has coordinates,has disorder","287888","2023-11-30","13:37:26",""
"7221842","26.3842","0.0014","9.0879","0.0002","19.4801","0.0009","90","","123.371","0.007","90","","3900.8","0.4","120","2","120","2","","","","","","","","6","C 1 2 1","C 2y","5","","Bis(R-N-(1-naphthyl)ethylpyrrolo)tetrathiafulvalenetriiodide chlorobenzene solvate 12.I3.PhCl","","- C40 H31 Cl I3 N2 S4 -","- C40 H31 Cl I3 N2 S4 -","- C160 H124 Cl4 I12 N8 S16 -","4","1","","Martin, Lee; Yang, Songjie; Brooks, Andrew C.; Horton, Peter N.; Male, Louise; Moulfi, Ourida; Harmand, Lydie; Day, Peter; Clegg, William; Harrington, Ross W.; Wallis, John D.","Contrasting crystal packing arrangements in triiodide salts of radical cations of chiral bis(pyrrolo[3,4-d])tetrathiafulvalenes","CrystEngComm","2015","17","38","7354","","10.1039/C5CE01430A","","","0.71073","MoKα","","0.0325","0.028","","","0.0662","0.0675","","","","","","1.055","","","","has coordinates","171014","2020-10-21","18:00:00",""
"7221843","25.601","0.002","8.9169","0.0005","19.5945","0.0012","90","","123.382","0.006","90","","3735.1","0.5","120","2","120","2","","","","","","","","6","C 1 2 1","C 2y","5","","Bis(R-N-(1-naphthyl)ethylpyrrolo)tetrathiafulvalenetriiodide dichloromethane solvate 12.I3.DCM","","- C35 H28 Cl2 I3 N2 S4 -","- C35 H28 Cl2 I3 N2 S4 -","- C140 H112 Cl8 I12 N8 S16 -","4","1","","Martin, Lee; Yang, Songjie; Brooks, Andrew C.; Horton, Peter N.; Male, Louise; Moulfi, Ourida; Harmand, Lydie; Day, Peter; Clegg, William; Harrington, Ross W.; Wallis, John D.","Contrasting crystal packing arrangements in triiodide salts of radical cations of chiral bis(pyrrolo[3,4-d])tetrathiafulvalenes","CrystEngComm","2015","17","38","7354","","10.1039/C5CE01430A","","","0.71073","MoKα","","0.0547","0.0495","","","0.1305","0.1335","","","","","","1.063","","","","has coordinates,has disorder","171014","2020-10-21","18:00:00",""
"7221844","9.484","0.01","19.551","0.014","30.639","0.003","90","","90","","90","","5681","7","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Bis(S-N-(1-phenylethyl)-2,5-dihydropyrrolo)tetrathiafulvalene triiodide 13.I3","","- C26 H22 I3 N2 S4 -","- C26 H22 I3 N2 S4 -","- C208 H176 I24 N16 S32 -","8","2","","Martin, Lee; Yang, Songjie; Brooks, Andrew C.; Horton, Peter N.; Male, Louise; Moulfi, Ourida; Harmand, Lydie; Day, Peter; Clegg, William; Harrington, Ross W.; Wallis, John D.","Contrasting crystal packing arrangements in triiodide salts of radical cations of chiral bis(pyrrolo[3,4-d])tetrathiafulvalenes","CrystEngComm","2015","17","38","7354","","10.1039/C5CE01430A","","","0.71073","MoKα","","0.2909","0.1588","","","0.2564","0.3222","","","","","","1.059","","","","has coordinates","171014","2020-10-21","18:00:00",""
"7221845","5.8941","0.0005","7.5206","0.0008","15.7272","0.001","103.039","0.008","96.056","0.006","94.487","0.007","671.62","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 Cl2 Cu N4 -","- C32 H28 Cl2 Cu N4 -","- C32 H28 Cl2 Cu N4 -","1","0.5","","Kounavi, Konstantina A.; Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Supramolecular features in the engineering of 3d metal complexes with phenyl-substituted imidazoles as ligands: the case of copper(ii)","CrystEngComm","2015","17","39","7510","","10.1039/C5CE01222H","","","0.71073","MoKα","","0.0569","0.0341","","","0.0691","0.0709","","","","","","0.987","","","","has coordinates","171025","2020-10-21","18:00:00",""
"7221846","6.051","0.0003","7.5054","0.0004","15.6246","0.0014","102.512","0.006","96.5","0.006","94.693","0.005","684.14","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 Br2 Cu N4 -","- C32 H28 Br2 Cu N4 -","- C32 H28 Br2 Cu N4 -","1","0.5","","Kounavi, Konstantina A.; Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Supramolecular features in the engineering of 3d metal complexes with phenyl-substituted imidazoles as ligands: the case of copper(ii)","CrystEngComm","2015","17","39","7510","","10.1039/C5CE01222H","","","0.71073","MoKα","","0.0754","0.0485","","","0.1011","0.104","","","","","","0.993","","","","has coordinates","171025","2020-10-21","18:00:00",""
"7221847","11.183","0.0003","29.7328","0.0007","17.7124","0.0005","90","","98.941","0.003","90","","5817.8","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64.6 H58.4 Cu N10 O6.6 -","- C64.6 H57.8 Cu N10 O6.6 -","- C258.4 H231.2 Cu4 N40 O26.4 -","4","0.5","","Kounavi, Konstantina A.; Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Supramolecular features in the engineering of 3d metal complexes with phenyl-substituted imidazoles as ligands: the case of copper(ii)","CrystEngComm","2015","17","39","7510","","10.1039/C5CE01222H","","","0.71073","MoKα","","0.0853","0.0667","","","0.1961","0.2058","","","","","","1.035","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7221848","11.534","0.001","15.8814","0.0008","16.7622","0.0014","71.888","0.006","87.185","0.007","87.131","0.006","2912.8","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H58 Cl2 Cu N8 O9 -","- C64 H56 Cl2 Cu N8 O9 -","- C128 H112 Cl4 Cu2 N16 O18 -","2","1","","Kounavi, Konstantina A.; Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Supramolecular features in the engineering of 3d metal complexes with phenyl-substituted imidazoles as ligands: the case of copper(ii)","CrystEngComm","2015","17","39","7510","","10.1039/C5CE01222H","","","0.71073","MoKα","","0.0981","0.0504","","","0.1012","0.1103","","","","","","0.974","","","","has coordinates","171025","2020-10-21","18:00:00",""
"7221849","11.64037","0.00019","15.846","0.0004","17.0057","0.0003","70.7034","0.0019","86.7179","0.0016","88.1588","0.0016","2955.39","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H61 Cl2 Cu N9 O9 -","- C66 H59 Cl2 Cu N9 O9 -","- C132 H118 Cl4 Cu2 N18 O18 -","2","1","","Kounavi, Konstantina A.; Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Supramolecular features in the engineering of 3d metal complexes with phenyl-substituted imidazoles as ligands: the case of copper(ii)","CrystEngComm","2015","17","39","7510","","10.1039/C5CE01222H","","","0.71073","MoKα","","0.0496","0.035","","","0.0921","0.0951","","","","","","1.068","","","","has coordinates","171025","2020-10-21","18:00:00",""
"7221850","24.1698","0.0003","11.631","0.0002","21.9833","0.0003","90","","90","","90","","6179.92","0.16","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C67 H65.2 Cl2 Cu N8 O10.6 -","- C67 H62 Cl2 Cu N8 O10.6 -","- C268 H248 Cl8 Cu4 N32 O42.4 -","4","1","","Kounavi, Konstantina A.; Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Supramolecular features in the engineering of 3d metal complexes with phenyl-substituted imidazoles as ligands: the case of copper(ii)","CrystEngComm","2015","17","39","7510","","10.1039/C5CE01222H","","","0.71073","MoKα","","0.0488","0.0395","","","0.1036","0.1063","","","","","","0.994","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7221851","11.0254","0.0004","22.5624","0.0006","14.028","0.0005","90","","93.327","0.003","90","","3483.7","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C68 H70 Cl1.5 Cu2 N8.5 O11 -","- C68 H70 Cl1.5 Cu2 N8.5 O11 -","- C136 H140 Cl3 Cu4 N17 O22 -","2","0.5","","Kounavi, Konstantina A.; Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Supramolecular features in the engineering of 3d metal complexes with phenyl-substituted imidazoles as ligands: the case of copper(ii)","CrystEngComm","2015","17","39","7510","","10.1039/C5CE01222H","","","0.71073","MoKα","","0.0737","0.0584","","","0.1772","0.1846","","","","","","1.076","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7221852","30.1188","0.0008","34.473","0.0007","12.5536","0.0003","90","","90","","90","","13034.2","0.5","100","2","100","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C33 H30.5 Cl2 Cu N4 O1.25 -","- C33 H30 Cl2 Cu N4 O1.25 -","- C528 H480 Cl32 Cu16 N64 O20 -","16","2","","Kounavi, Konstantina A.; Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Supramolecular features in the engineering of 3d metal complexes with phenyl-substituted imidazoles as ligands: the case of copper(ii)","CrystEngComm","2015","17","39","7510","","10.1039/C5CE01222H","","","0.71073","MoKα","","0.0914","0.0535","","","0.1283","0.1361","","","","","","1","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221853","16.2205","0.0007","17.8175","0.0006","26.7171","0.0006","73.031","0.003","84.929","0.003","68.555","0.004","6872.6","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H37.2 Cl2 Cu N6 O0.6 -","- C45 H36 Cl2 Cu N6 O0.6 -","- C270 H216 Cl12 Cu6 N36 O3.6 -","6","3","","Kounavi, Konstantina A.; Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Supramolecular features in the engineering of 3d metal complexes with phenyl-substituted imidazoles as ligands: the case of copper(ii)","CrystEngComm","2015","17","39","7510","","10.1039/C5CE01222H","","","0.71073","MoKα","","0.0655","0.0475","","","0.1425","0.1483","","","","","","0.952","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7221854","24.1824","0.001","12.1343","0.0005","22.6611","0.0008","90","","109.241","0.004","90","","6278.2","0.5","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C63 H58 Cl4 Cu N8 O10 -","- C63 H58 Cl4 Cu N8 O10 -","- C252 H232 Cl16 Cu4 N32 O40 -","4","1","","Kounavi, Konstantina A.; Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Supramolecular features in the engineering of 3d metal complexes with phenyl-substituted imidazoles as ligands: the case of copper(ii)","CrystEngComm","2015","17","39","7510","","10.1039/C5CE01222H","","","0.71073","MoKα","","0.0535","0.0502","","","0.1321","0.1361","","","","","","1.048","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221855","15.4267","0.0006","18.0947","0.0007","21.1309","0.0007","90","","90","","90","","5898.5","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H27 Cu N7 O6 -","- C32 H27 Cu N7 O6 -","- C256 H216 Cu8 N56 O48 -","8","1","","Kounavi, Konstantina A.; Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Supramolecular features in the engineering of 3d metal complexes with phenyl-substituted imidazoles as ligands: the case of copper(ii)","CrystEngComm","2015","17","39","7510","","10.1039/C5CE01222H","","","0.71073","MoKα","","0.0879","0.0464","","","0.0964","0.1039","","","","","","0.968","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221863","9.7805","0.0007","7.2405","0.0005","10.0361","0.0007","90","","108.917","0.002","90","","672.33","0.08","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- F13 O5 Sr4 V3 -","- F13 O5 Sr4 V3 -","- F26 O10 Sr8 V6 -","2","0.5","","Yeon, Jeongho; Felder, Justin B.; Smith, Mark D.; Morrison, Gregory; zur Loye, Hans-Conrad","Synthetic strategies for new vanadium oxyfluorides containing novel building blocks: structures of V(iv) and V(v) containing Sr4V3O5F13, Pb7V4O8F18, Pb2VO2F5, and Pb2VOF6","CrystEngComm","2015","17","44","8428","","10.1039/C5CE01464F","","","0.71073","MoKα","","0.0398","0.0298","","","0.0576","0.0606","","","","","","1.03","","","","has coordinates","171047","2020-10-21","18:00:00",""
"7221864","10.1963","0.0007","7.3172","0.0005","13.9271","0.001","90","","99.057","0.002","90","","1026.12","0.12","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- F18 O8 Pb7 V4 -","- F18 O8 Pb7 V4 -","- F36 O16 Pb14 V8 -","2","0.5","","Yeon, Jeongho; Felder, Justin B.; Smith, Mark D.; Morrison, Gregory; zur Loye, Hans-Conrad","Synthetic strategies for new vanadium oxyfluorides containing novel building blocks: structures of V(iv) and V(v) containing Sr4V3O5F13, Pb7V4O8F18, Pb2VO2F5, and Pb2VOF6","CrystEngComm","2015","17","44","8428","","10.1039/C5CE01464F","","","0.71073","MoKα","","0.0368","0.0306","","","0.0678","0.0703","","","","","","1.101","","","","has coordinates","171047","2020-10-21","18:00:00",""
"7221865","5.6675","0.0005","7.3492","0.0006","8.3152","0.0007","101.234","0.0012","108.995","0.0013","110.625","0.0012","287.14","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- F5 O2 Pb2 V -","- F5 O2 Pb2 V -","- F10 O4 Pb4 V2 -","2","1","","Yeon, Jeongho; Felder, Justin B.; Smith, Mark D.; Morrison, Gregory; zur Loye, Hans-Conrad","Synthetic strategies for new vanadium oxyfluorides containing novel building blocks: structures of V(iv) and V(v) containing Sr4V3O5F13, Pb7V4O8F18, Pb2VO2F5, and Pb2VOF6","CrystEngComm","2015","17","44","8428","","10.1039/C5CE01464F","","","0.71073","MoKα","","0.0322","0.0305","","","0.0765","0.0771","","","","","","1.27","","","","has coordinates","171047","2020-10-21","18:00:00",""
"7221866","5.6675","0.0004","15.7931","0.0012","12.9995","0.0009","90","","92.019","0.002","90","","1162.83","0.15","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- F6 O Pb2 V -","- F6 O Pb2 V -","- F48 O8 Pb16 V8 -","8","1","","Yeon, Jeongho; Felder, Justin B.; Smith, Mark D.; Morrison, Gregory; zur Loye, Hans-Conrad","Synthetic strategies for new vanadium oxyfluorides containing novel building blocks: structures of V(iv) and V(v) containing Sr4V3O5F13, Pb7V4O8F18, Pb2VO2F5, and Pb2VOF6","CrystEngComm","2015","17","44","8428","","10.1039/C5CE01464F","","","0.71073","MoKα","","0.0293","0.026","","","0.0564","0.0577","","","","","","1.096","","","","has coordinates","171047","2020-10-21","18:00:00",""
"7221871","5.329","0.0014","5.1935","0.0013","14.949","0.004","90","","99.833","0.005","90","","407.65","0.18","200","2","200","2","","","","","","","","3","P 1 c 1","P -2yc","7","C5CL5N_200K","Pentachloropyridine","","- C5 Cl5 N -","- C5 Cl5 N -","- C10 Cl10 N2 -","2","1","","George, Janine; Wang, Ai; Deringer, Volker L.; Wang, Ruimin; Dronskowski, Richard; Englert, Ulli","Anisotropic displacement parameters from dispersion-corrected DFT methods and their experimental validation by temperature-dependent X-ray diffraction","CrystEngComm","2015","17","38","7414","","10.1039/C5CE01219H","","","0.71073","MoKα","","0.0638","0.0474","","","0.0897","0.0979","","","","","","0.992","","","","has coordinates","171012","2020-10-21","18:00:00",""
"7221872","5.3191","0.0016","5.1827","0.0016","14.894","0.005","90","","99.704","0.005","90","","404.7","0.2","150","2","150","2","","","","","","","","3","P 1 c 1","P -2yc","7","C5CL5N_150K","Pentachloropyridine","","- C5 Cl5 N -","- C5 Cl5 N -","- C10 Cl10 N2 -","2","1","","George, Janine; Wang, Ai; Deringer, Volker L.; Wang, Ruimin; Dronskowski, Richard; Englert, Ulli","Anisotropic displacement parameters from dispersion-corrected DFT methods and their experimental validation by temperature-dependent X-ray diffraction","CrystEngComm","2015","17","38","7414","","10.1039/C5CE01219H","","","0.71073","MoKα","","0.0427","0.0388","","","0.0918","0.0945","","","","","","1.062","","","","has coordinates","171012","2020-10-21","18:00:00",""
"7221873","5.3122","0.0002","5.177","0.0002","14.8307","0.0006","90","","99.493","0.002","90","","402.28","0.03","100","2","100","2","","","","","","","","3","P 1 c 1","P -2yc","7","C5CL5N_100K","Pentachloropyridine","","- C5 Cl5 N -","- C5 Cl5 N -","- C10 Cl10 N2 -","2","1","","George, Janine; Wang, Ai; Deringer, Volker L.; Wang, Ruimin; Dronskowski, Richard; Englert, Ulli","Anisotropic displacement parameters from dispersion-corrected DFT methods and their experimental validation by temperature-dependent X-ray diffraction","CrystEngComm","2015","17","38","7414","","10.1039/C5CE01219H","","","0.71073","MoKα","","0.0446","0.0369","","","0.0906","0.0952","","","","","","1.029","","","","has coordinates","171012","2020-10-21","18:00:00",""
"7221874","5.3426","0.0015","5.2051","0.0015","15.021","0.004","90","","100.003","0.006","90","","411.4","0.2","250","2","250","2","","","","","","","","3","P 1 c 1","P -2yc","7","C5CL5N_250K","Pentachloropyridine","","- C5 Cl5 N -","- C5 Cl5 N -","- C10 Cl10 N2 -","2","1","","George, Janine; Wang, Ai; Deringer, Volker L.; Wang, Ruimin; Dronskowski, Richard; Englert, Ulli","Anisotropic displacement parameters from dispersion-corrected DFT methods and their experimental validation by temperature-dependent X-ray diffraction","CrystEngComm","2015","17","38","7414","","10.1039/C5CE01219H","","","0.71073","MoKα","","0.0821","0.049","","","0.0855","0.1001","","","","","","1.008","","","","has coordinates","171012","2020-10-21","18:00:00",""
"7221875","5.359","0.004","5.224","0.004","15.101","0.013","90","","100.228","0.018","90","","416","0.6","300","2","300","2","","","","","","","","3","P 1 c 1","P -2yc","7","C5CL5N_300K","Pentachloropyridine","","- C5 Cl5 N -","- C5 Cl5 N -","- C10 Cl10 N2 -","2","1","","George, Janine; Wang, Ai; Deringer, Volker L.; Wang, Ruimin; Dronskowski, Richard; Englert, Ulli","Anisotropic displacement parameters from dispersion-corrected DFT methods and their experimental validation by temperature-dependent X-ray diffraction","CrystEngComm","2015","17","38","7414","","10.1039/C5CE01219H","","","0.71073","MoKα","","0.1006","0.0525","","","0.1126","0.1344","","","","","","0.959","","","","has coordinates","171012","2020-10-21","18:00:00",""
"7221895","30.09","0.03","17.23","0.02","8.658","0.007","90","","90","","90","","4489","8","100","2","100","2","","","","","","","synthesis as described","5","C m c e","-C 2ac 2","64","","Poly{dimethylamonnium[(mu-4,4'-azobenzenedicarboxylate-k2O,O':k2O'',O''')(mu-acetato-kO:kO)cadmate(II)]}","","- C18 H19 Cd N3 O6 -","- C18 H14 Cd N3 O6 -","- C144 H112 Cd8 N24 O48 -","8","0.5","","Fernández, Belén; Seco, José Manuel; Cepeda, Javier; Calahorro, Antonio J.; Rodríguez-Diéguez, Antonio","Tuning the porosity through interpenetration of azobenzene-4,4′-dicarboxylate-based metal‒organic frameworks","CrystEngComm","2015","17","40","7636","","10.1039/C5CE01521A","","","0.71073","MoKα","","0.1623","0.1524","","","0.3267","0.3321","","","","","","1.106","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221896","31.831","0.006","7.884","0.002","19.449","0.004","90","","107.912","0.007","90","","4644.3","1.8","100","2","100","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","Poly{[(mu4-4,4'-azobenzenedicarboxylate-kO:k2O,O':kO'':k2O'',O''')(mu-4,4'-azobenzenedicarboxylate-k2O,O':k2O'',O''')tetrakis(dimethylsulfoxide)dicadmium(II)]dimethylsulfoxide}","","- C38 H46 Cd2 N4 O13 S5 -","- C38 H40 Cd2 N4 O13 S5 -","- C152 H160 Cd8 N16 O52 S20 -","4","0.5","","Fernández, Belén; Seco, José Manuel; Cepeda, Javier; Calahorro, Antonio J.; Rodríguez-Diéguez, Antonio","Tuning the porosity through interpenetration of azobenzene-4,4′-dicarboxylate-based metal‒organic frameworks","CrystEngComm","2015","17","40","7636","","10.1039/C5CE01521A","","","0.71073","MoKα","","0.1353","0.0695","","","0.1281","0.1455","","","","","","1.036","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221897","10.7515","0.0007","10.7424","0.0007","11.0098","0.0008","95.683","0.002","96.94","0.002","96.596","0.002","1245.68","0.15","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","Poly{[tris(mu4-4,4'-azobenzenedicarboxylate-kO:kO,O':kO'':kO'',O''')bis(dimethylformamide)tricadmium(II)]}","","- C48 H38 Cd3 N8 O14 -","- C48 H38 Cd3 N8 O14 -","- C48 H38 Cd3 N8 O14 -","1","0.5","","Fernández, Belén; Seco, José Manuel; Cepeda, Javier; Calahorro, Antonio J.; Rodríguez-Diéguez, Antonio","Tuning the porosity through interpenetration of azobenzene-4,4′-dicarboxylate-based metal‒organic frameworks","CrystEngComm","2015","17","40","7636","","10.1039/C5CE01521A","","","0.71073","MoKα","","0.0193","0.0176","","","0.0425","0.0433","","","","","","1.068","","","","has coordinates","171088","2020-10-21","18:00:00",""
"7221898","6.981","0.001","26.778","0.004","13.66","0.002","90","","98.15","0.005","90","","2527.8","0.6","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","Poly{[(mu3-4,4'-azobenzenedicarboxylate-kO:kO':kO'')(mu-3,6-bis(4-pyridyl)-1,2,4,5-tetrazine)zinc(II)]}","","- C20 H12 N5 O4 Zn -","- C20 H12 N5 O4 Zn -","- C80 H48 N20 O16 Zn4 -","4","1","","Fernández, Belén; Seco, José Manuel; Cepeda, Javier; Calahorro, Antonio J.; Rodríguez-Diéguez, Antonio","Tuning the porosity through interpenetration of azobenzene-4,4′-dicarboxylate-based metal‒organic frameworks","CrystEngComm","2015","17","40","7636","","10.1039/C5CE01521A","","","0.71073","MoKα","","0.1002","0.0612","","","0.1436","0.156","","","","","","1.006","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221899","16.945","0.005","16.958","0.005","17.88","0.005","83.348","0.007","73.542","0.007","65.791","0.007","4494","2","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","Poly{[tris(mu4-4,4'-azobenzenedicarboxylate-kO:kO':kO'':kO''')bis(mu-3,6-bis(4-pyridyl)-1,2,4,5-tetrazine)trizinc(II)]}","","- C60 H36 N14.5 O12 Zn3 -","- C60 H36 N14.5 O12 Zn3 -","- C120 H72 N29 O24 Zn6 -","2","1","","Fernández, Belén; Seco, José Manuel; Cepeda, Javier; Calahorro, Antonio J.; Rodríguez-Diéguez, Antonio","Tuning the porosity through interpenetration of azobenzene-4,4′-dicarboxylate-based metal‒organic frameworks","CrystEngComm","2015","17","40","7636","","10.1039/C5CE01521A","","","0.71073","MoKα","","0.147","0.0916","","","0.2381","0.2653","","","","","","0.888","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221912","15.5127","0.0013","8.2524","0.0005","17.957","0.002","90","","122.004","0.006","90","","1949.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Paracetamol pyridine solvate","","- C21 H23 N3 O4 -","- C21 H23 N3 O4 -","- C84 H92 N12 O16 -","4","1","","Zakharov, Boris A.; Ogienko, Andrey G.; Yunoshev, Alexander S.; Ancharov, Alexey I.; Boldyreva, Elena V.","Bis(paracetamol) pyridine ‒ a new elusive paracetamol solvate: from modeling the phase diagram to successful single-crystal growth and structure‒property relations","CrystEngComm","2015","17","39","7543","","10.1039/C5CE01213A","","","0.71073","MoKα","","0.0686","0.0402","","","0.0863","0.0951","","","","","","1.001","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221913","15.518","0.0014","8.2664","0.0005","17.978","0.002","90","","121.982","0.007","90","","1956.1","0.3","125","2","125","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Paracetamol pyridine solvate","","- C21 H23 N3 O4 -","- C21 H23 N3 O4 -","- C84 H92 N12 O16 -","4","1","","Zakharov, Boris A.; Ogienko, Andrey G.; Yunoshev, Alexander S.; Ancharov, Alexey I.; Boldyreva, Elena V.","Bis(paracetamol) pyridine ‒ a new elusive paracetamol solvate: from modeling the phase diagram to successful single-crystal growth and structure‒property relations","CrystEngComm","2015","17","39","7543","","10.1039/C5CE01213A","","","0.71073","MoKα","","0.0738","0.0397","","","0.0818","0.0927","","","","","","0.982","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221914","15.5225","0.0014","8.2788","0.0005","17.997","0.002","90","","121.964","0.007","90","","1962.1","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Paracetamol pyridine solvate","","- C21 H23 N3 O4 -","- C21 H23 N3 O4 -","- C84 H92 N12 O16 -","4","1","","Zakharov, Boris A.; Ogienko, Andrey G.; Yunoshev, Alexander S.; Ancharov, Alexey I.; Boldyreva, Elena V.","Bis(paracetamol) pyridine ‒ a new elusive paracetamol solvate: from modeling the phase diagram to successful single-crystal growth and structure‒property relations","CrystEngComm","2015","17","39","7543","","10.1039/C5CE01213A","","","0.71073","MoKα","","0.0786","0.0405","","","0.0814","0.0924","","","","","","0.935","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221915","15.5304","0.0015","8.2953","0.0006","18.026","0.002","90","","121.942","0.008","90","","1970.6","0.4","175","2","175","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Paracetamol pyridine solvate","","- C21 H23 N3 O4 -","- C21 H23 N3 O4 -","- C84 H92 N12 O16 -","4","1","","Zakharov, Boris A.; Ogienko, Andrey G.; Yunoshev, Alexander S.; Ancharov, Alexey I.; Boldyreva, Elena V.","Bis(paracetamol) pyridine ‒ a new elusive paracetamol solvate: from modeling the phase diagram to successful single-crystal growth and structure‒property relations","CrystEngComm","2015","17","39","7543","","10.1039/C5CE01213A","","","0.71073","MoKα","","0.0868","0.0411","","","0.082","0.0956","","","","","","0.921","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221916","15.5367","0.0016","8.3081","0.0006","18.051","0.002","90","","121.906","0.008","90","","1978","0.4","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Paracetamol pyridine solvate","","- C21 H23 N3 O4 -","- C21 H23 N3 O4 -","- C84 H92 N12 O16 -","4","1","","Zakharov, Boris A.; Ogienko, Andrey G.; Yunoshev, Alexander S.; Ancharov, Alexey I.; Boldyreva, Elena V.","Bis(paracetamol) pyridine ‒ a new elusive paracetamol solvate: from modeling the phase diagram to successful single-crystal growth and structure‒property relations","CrystEngComm","2015","17","39","7543","","10.1039/C5CE01213A","","","0.71073","MoKα","","0.0926","0.0427","","","0.0815","0.0947","","","","","","0.888","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221917","15.5427","0.0016","8.3248","0.0006","18.084","0.002","90","","121.851","0.008","90","","1987.6","0.4","225","2","225","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Paracetamol pyridine solvate","","- C21 H23 N3 O4 -","- C21 H23 N3 O4 -","- C84 H92 N12 O16 -","4","1","","Zakharov, Boris A.; Ogienko, Andrey G.; Yunoshev, Alexander S.; Ancharov, Alexey I.; Boldyreva, Elena V.","Bis(paracetamol) pyridine ‒ a new elusive paracetamol solvate: from modeling the phase diagram to successful single-crystal growth and structure‒property relations","CrystEngComm","2015","17","39","7543","","10.1039/C5CE01213A","","","0.71073","MoKα","","0.1012","0.0427","","","0.0826","0.0983","","","","","","0.885","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221918","15.5486","0.0017","8.337","0.0007","18.116","0.003","90","","121.807","0.008","90","","1995.7","0.5","250","2","250","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Paracetamol pyridine solvate","","- C21 H23 N3 O4 -","- C21 H23 N3 O4 -","- C84 H92 N12 O16 -","4","1","","Zakharov, Boris A.; Ogienko, Andrey G.; Yunoshev, Alexander S.; Ancharov, Alexey I.; Boldyreva, Elena V.","Bis(paracetamol) pyridine ‒ a new elusive paracetamol solvate: from modeling the phase diagram to successful single-crystal growth and structure‒property relations","CrystEngComm","2015","17","39","7543","","10.1039/C5CE01213A","","","0.71073","MoKα","","0.111","0.0431","","","0.0829","0.1008","","","","","","0.863","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221919","15.5533","0.0018","8.3475","0.0007","18.151","0.003","90","","121.742","0.009","90","","2004.1","0.5","275","2","275","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Paracetamol pyridine solvate","","- C21 H23 N3 O4 -","- C21 H23 N3 O4 -","- C84 H92 N12 O16 -","4","1","","Zakharov, Boris A.; Ogienko, Andrey G.; Yunoshev, Alexander S.; Ancharov, Alexey I.; Boldyreva, Elena V.","Bis(paracetamol) pyridine ‒ a new elusive paracetamol solvate: from modeling the phase diagram to successful single-crystal growth and structure‒property relations","CrystEngComm","2015","17","39","7543","","10.1039/C5CE01213A","","","0.71073","MoKα","","0.1222","0.0449","","","0.0877","0.1081","","","","","","0.868","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221920","11.482","0.003","6.0114","0.0013","19.382","0.005","90","","90","","90","","1337.8","0.6","153","2","153","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H13 N O3 -","- C17 H13 N O3 -","- C68 H52 N4 O12 -","4","1","","Zhang, Xinyuan; Jiang, Xingxing; Li, Yin; Lin, Zheshuai; Zhang, Guochun; Wu, Yicheng","Isoxazolone-based single crystals with large second harmonic generation effect","CrystEngComm","2015","17","38","7316","","10.1039/C5CE01006C","","","0.71073","MoKα","","0.0403","0.0375","","","0.0868","0.0891","","","","","","1.002","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221927","25.766","0.004","25.766","0.004","29.978","0.006","90","","90","","120","","17236","5","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C40 H26 O9 S4 -","- C40 H24 O9 S4 -","- C720 H432 O162 S72 -","18","1","","Wang, Wei; Yang, Weiping; Guo, Rong; Gong, Shuling","‘Honeycomb’ nanotube assembly based on thiacalix[4]arene derivatives by weak interactions","CrystEngComm","2015","17","40","7663","","10.1039/C5CE01088H","","","0.71073","MoKα","","0.136","0.0834","","","0.2569","0.2932","","","","","","0.989","","","","has coordinates","171094","2020-10-21","18:00:00",""
"7221928","37.589","0.003","37.589","0.003","10.681","0.0016","90","","90","","120","","13070","2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C30 H22 O7 S4 -","- C30 H22 O7 S4 -","- C540 H396 O126 S72 -","18","1","","Wang, Wei; Yang, Weiping; Guo, Rong; Gong, Shuling","‘Honeycomb’ nanotube assembly based on thiacalix[4]arene derivatives by weak interactions","CrystEngComm","2015","17","40","7663","","10.1039/C5CE01088H","","","0.71073","MoKα","","0.105","0.0802","","","0.2212","0.2377","","","","","","1.023","","","","has coordinates,has disorder","171094","2020-10-21","18:00:00",""
"7221929","36.329","0.005","36.329","0.005","11.8166","0.0016","90","","90","","120","","13506","3","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C31.17 H28.17 Cl0.51 O5 S4 -","- C31.1667 H28 Cl0.163333 O5 S4 -","- C561 H504 Cl2.94 O90 S72 -","18","1","","Wang, Wei; Yang, Weiping; Guo, Rong; Gong, Shuling","‘Honeycomb’ nanotube assembly based on thiacalix[4]arene derivatives by weak interactions","CrystEngComm","2015","17","40","7663","","10.1039/C5CE01088H","","","0.71073","MoKα","","0.0827","0.0753","","","0.2209","0.2301","","","","","","1.12","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221930","36.0289","0.0013","36.0289","0.0013","12.2533","0.0013","90","","90","","120","","13774.8","1.6","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C32 H28 O6 S4 -","- C32 H28 O6 S4 -","- C576 H504 O108 S72 -","18","1","","Wang, Wei; Yang, Weiping; Guo, Rong; Gong, Shuling","‘Honeycomb’ nanotube assembly based on thiacalix[4]arene derivatives by weak interactions","CrystEngComm","2015","17","40","7663","","10.1039/C5CE01088H","","","0.71073","MoKα","","0.1244","0.0492","","","0.0804","0.0972","","","","","","1.01","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221931","37.498","0.005","37.498","0.005","11.9203","0.0015","90","","90","","120","","14516","3","298","2","298","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C33 H28 O7 S4 -","- C33 H28.01 O7.01 S4 -","- C594 H504.18 O126.18 S72 -","18","1","","Wang, Wei; Yang, Weiping; Guo, Rong; Gong, Shuling","‘Honeycomb’ nanotube assembly based on thiacalix[4]arene derivatives by weak interactions","CrystEngComm","2015","17","40","7663","","10.1039/C5CE01088H","","","0.71073","MoKα","","0.103","0.0631","","","0.1616","0.2095","","","","","","1.089","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221932","23.994","0.006","23.994","0.006","11.648","0.005","90","","90","","120","","5807","3","296","2","296","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C202 H166 Cl30 N12 O24 S24 -","- C202 H156 Cl30 N12 O24 S24 -","- C202 H156 Cl30 N12 O24 S24 -","1","0.0833333","","Wang, Wei; Yang, Weiping; Guo, Rong; Gong, Shuling","‘Honeycomb’ nanotube assembly based on thiacalix[4]arene derivatives by weak interactions","CrystEngComm","2015","17","40","7663","","10.1039/C5CE01088H","","","0.71073","MoKα","","0.2083","0.1262","","","0.3612","0.4332","","","","","","1.375","","","","has coordinates","171094","2020-10-21","18:00:00",""
"7221949","33.842","0.003","8.1803","0.0009","15.5183","0.0015","90","","111.285","0.011","90","","4003","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H23 N3 O3 S -","- C20 H23 N3 O3 S -","- C160 H184 N24 O24 S8 -","8","1","","Pete, Umesh D.; Dikundwar, Amol G.; Sharma, Vaishali M.; Gejji, Shridhar P.; Bendre, Ratnamala S.; Guru Row, Tayur N.","Partial rotation of the isopropyl group in the solid state: single-crystal-to-single-crystal phase transformation in a carvacrol derivative","CrystEngComm","2015","17","39","7482","","10.1039/C5CE01156F","","","0.71073","MoKα","","0.1157","0.0704","","","0.1893","0.2301","","","","","","1.025","","","","has coordinates","171021","2020-10-21","18:00:00",""
"7221950","33.698","0.002","8.1286","0.0006","15.4818","0.0009","90","","111.393","0.007","90","","3948.6","0.5","250","1","250","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H23 N3 O3 S -","- C20 H23 N3 O3 S -","- C160 H184 N24 O24 S8 -","8","1","","Pete, Umesh D.; Dikundwar, Amol G.; Sharma, Vaishali M.; Gejji, Shridhar P.; Bendre, Ratnamala S.; Guru Row, Tayur N.","Partial rotation of the isopropyl group in the solid state: single-crystal-to-single-crystal phase transformation in a carvacrol derivative","CrystEngComm","2015","17","39","7482","","10.1039/C5CE01156F","","","0.71073","MoKα","","0.085","0.0556","","","0.1533","0.1709","","","","","","1.108","","","","has coordinates","171021","2020-10-21","18:00:00",""
"7221951","8.291","0.005","15.44","0.005","16.932","0.005","67.702","0.005","77.616","0.005","89.556","0.005","1952.3","1.5","200","1","200","1","","","","","","","","5","P -1","-P 1","2","","","","- C20 H23 N3 O3 S -","- C20 H23 N3 O3 S -","- C80 H92 N12 O12 S4 -","4","2","","Pete, Umesh D.; Dikundwar, Amol G.; Sharma, Vaishali M.; Gejji, Shridhar P.; Bendre, Ratnamala S.; Guru Row, Tayur N.","Partial rotation of the isopropyl group in the solid state: single-crystal-to-single-crystal phase transformation in a carvacrol derivative","CrystEngComm","2015","17","39","7482","","10.1039/C5CE01156F","","","0.71073","MoKα","","0.1351","0.0994","","","0.2773","0.3061","","","","","","1.055","","","","has coordinates","171021","2020-10-21","18:00:00",""
"7221952","8.1589","0.001","15.3909","0.0013","16.8655","0.0018","67.525","0.009","78.145","0.01","89.508","0.009","1909.5","0.4","110","1","110","1","","","","","","","","5","P -1","-P 1","2","","","","- C20 H23 N3 O3 S -","- C20 H23 N3 O3 S -","- C80 H92 N12 O12 S4 -","4","2","","Pete, Umesh D.; Dikundwar, Amol G.; Sharma, Vaishali M.; Gejji, Shridhar P.; Bendre, Ratnamala S.; Guru Row, Tayur N.","Partial rotation of the isopropyl group in the solid state: single-crystal-to-single-crystal phase transformation in a carvacrol derivative","CrystEngComm","2015","17","39","7482","","10.1039/C5CE01156F","","","0.71073","MoKα","","0.1232","0.0997","","","0.2765","0.2935","","","","","","1.052","","","","has coordinates","171021","2020-10-21","18:00:00",""
"7221953","5.982","0.0007","12.7479","0.0015","14.4154","0.0017","90","","95.467","0.003","90","","1094.3","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H27 Fe2 N O -","- C28 H27 Fe2 N O -","- C56 H54 Fe4 N2 O2 -","2","1","","Romanov, Alexander S.; Shapovalov, Alexey V.; Angles, Gary F.; Timofeeva, Tatiana V.; Corsini, Maddalena; Fusi, Stefania; Fabrizi de Biani, Fabrizia","Structures of the conformational isomers and polymorph modifications of N-substituted 2,6-(E,E)-bis(ferrocenylidene)piperid-4-ones: photo- and electrochemically induced E/Z isomerization","CrystEngComm","2015","17","39","7564","","10.1039/C5CE01111F","","","0.71073","MoKα","","0.0399","0.0375","","","0.0935","0.0949","","","","","","0.937","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221954","15.228","0.0008","14.2504","0.0008","11.8362","0.0006","90","","110.265","0.001","90","","2409.5","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 B F4 Fe2 N O -","- C28 H28 B F4 Fe2 N O -","- C112 H112 B4 F16 Fe8 N4 O4 -","4","1","","Romanov, Alexander S.; Shapovalov, Alexey V.; Angles, Gary F.; Timofeeva, Tatiana V.; Corsini, Maddalena; Fusi, Stefania; Fabrizi de Biani, Fabrizia","Structures of the conformational isomers and polymorph modifications of N-substituted 2,6-(E,E)-bis(ferrocenylidene)piperid-4-ones: photo- and electrochemically induced E/Z isomerization","CrystEngComm","2015","17","39","7564","","10.1039/C5CE01111F","","","0.71073","MoKα","","0.0424","0.0355","","","0.0926","0.098","","","","","","1.05","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221955","12.7933","0.0006","13.4321","0.0007","15.0676","0.0008","107.118","0.001","91.053","0.001","93.358","0.001","2468.6","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H28 B F4 Fe2 N O -","- C28 H28 B F4 Fe2 N O -","- C112 H112 B4 F16 Fe8 N4 O4 -","4","2","","Romanov, Alexander S.; Shapovalov, Alexey V.; Angles, Gary F.; Timofeeva, Tatiana V.; Corsini, Maddalena; Fusi, Stefania; Fabrizi de Biani, Fabrizia","Structures of the conformational isomers and polymorph modifications of N-substituted 2,6-(E,E)-bis(ferrocenylidene)piperid-4-ones: photo- and electrochemically induced E/Z isomerization","CrystEngComm","2015","17","39","7564","","10.1039/C5CE01111F","","","0.71073","MoKα","","0.0772","0.062","","","0.1591","0.1694","","","","","","1.021","","","","has coordinates,has disorder","171027","2020-10-21","18:00:00",""
"7221956","6.012","0.003","12.956","0.006","14.4","0.007","90","","94.957","0.008","90","","1117.4","0.9","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H29 Fe2 N O -","- C29 H29 Fe2 N O -","- C58 H58 Fe4 N2 O2 -","2","1","","Romanov, Alexander S.; Shapovalov, Alexey V.; Angles, Gary F.; Timofeeva, Tatiana V.; Corsini, Maddalena; Fusi, Stefania; Fabrizi de Biani, Fabrizia","Structures of the conformational isomers and polymorph modifications of N-substituted 2,6-(E,E)-bis(ferrocenylidene)piperid-4-ones: photo- and electrochemically induced E/Z isomerization","CrystEngComm","2015","17","39","7564","","10.1039/C5CE01111F","","","0.71073","MoKα","","0.0869","0.0556","","","0.1193","0.1331","","","","","","1.013","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221957","29.902","0.004","7.6059","0.0011","28.606","0.005","90","","110.776","0.003","90","","6082.9","1.6","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H32 B F4 Fe2 N O -","- C34 H32 B F4 Fe2 N O -","- C272 H256 B8 F32 Fe16 N8 O8 -","8","1","","Romanov, Alexander S.; Shapovalov, Alexey V.; Angles, Gary F.; Timofeeva, Tatiana V.; Corsini, Maddalena; Fusi, Stefania; Fabrizi de Biani, Fabrizia","Structures of the conformational isomers and polymorph modifications of N-substituted 2,6-(E,E)-bis(ferrocenylidene)piperid-4-ones: photo- and electrochemically induced E/Z isomerization","CrystEngComm","2015","17","39","7564","","10.1039/C5CE01111F","","","0.71073","MoKα","","0.0923","0.0663","","","0.162","0.1765","","","","","","1.099","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221958","9.6738","0.0002","22.7931","0.0005","30.9469","0.0006","90","","90","","90","","6823.7","0.2","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Icariin","","","- C66 H80 O32 -","- C66 H80 O32 -","- C264 H320 O128 -","4","1","","Jia, Lina; Zhang, Qi; Wang, Jian-Rong; Mei, Xuefeng","Versatile solid modifications of icariin: structure, properties and form transformation","CrystEngComm","2015","17","39","7500","","10.1039/C5CE01422K","","","1.54178","CuKα","","0.0629","0.0479","","","0.1138","0.1241","","","","","","1.026","","","","has coordinates,has disorder","171029","2020-10-21","18:00:00",""
"7221959","9.8352","0.0006","22.9018","0.0013","31.1702","0.0016","90","","90","","90","","7020.9","0.7","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Icariin","","","- C34.5 H43 O15.5 -","- C34.5 H43 O15.5 -","- C276 H344 O124 -","8","2","","Jia, Lina; Zhang, Qi; Wang, Jian-Rong; Mei, Xuefeng","Versatile solid modifications of icariin: structure, properties and form transformation","CrystEngComm","2015","17","39","7500","","10.1039/C5CE01422K","","","0.71073","MoKα","","0.1096","0.0596","","","0.1369","0.1596","","","","","","1.033","","","","has coordinates","183084","2020-10-21","18:00:00",""
"7221960","9.7888","0.0002","22.9845","0.0006","31.9792","0.0006","90","","90","","90","","7195","0.3","130","2","130","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C37 H48 O17 -","- C37 H46 O17 -","- C296 H368 O136 -","8","2","","Jia, Lina; Zhang, Qi; Wang, Jian-Rong; Mei, Xuefeng","Versatile solid modifications of icariin: structure, properties and form transformation","CrystEngComm","2015","17","39","7500","","10.1039/C5CE01422K","","","0.71073","MoKα","","0.0987","0.0595","","","0.138","0.165","","","","","","1.009","","","","has coordinates,has disorder","182989","2020-10-21","18:00:00",""
"7221961","9.822","0.0008","22.9864","0.0017","31.274","0.003","90","","90","","90","","7060.8","1","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Icariin","","","- C35 H46 O16 -","- C35 H46 O16 -","- C280 H368 O128 -","8","2","","Jia, Lina; Zhang, Qi; Wang, Jian-Rong; Mei, Xuefeng","Versatile solid modifications of icariin: structure, properties and form transformation","CrystEngComm","2015","17","39","7500","","10.1039/C5CE01422K","","","0.71073","MoKα","","0.1603","0.0676","","","0.1352","0.1743","","","","","","0.985","","","","has coordinates","183084","2020-10-21","18:00:00",""
"7221962","9.74","0.0003","22.9011","0.0007","31.3079","0.0009","90","","90","","90","","6983.4","0.4","130","","130","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C36 H48 O16 -","- C36 H48 O16 -","- C288 H384 O128 -","8","2","","Jia, Lina; Zhang, Qi; Wang, Jian-Rong; Mei, Xuefeng","Versatile solid modifications of icariin: structure, properties and form transformation","CrystEngComm","2015","17","39","7500","","10.1039/C5CE01422K","","","1.54178","CuKα","","0.0631","0.051","","","0.1376","0.1462","","","","","","1.028","","","","has coordinates","171029","2020-10-21","18:00:00",""
"7221963","9.849","0.0004","23.0547","0.001","31.6595","0.0015","90","","90","","90","","7188.8","0.5","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Icariin","","","- C36 H48 O16 -","- C36 H47.5 O16 -","- C288 H380 O128 -","8","2","","Jia, Lina; Zhang, Qi; Wang, Jian-Rong; Mei, Xuefeng","Versatile solid modifications of icariin: structure, properties and form transformation","CrystEngComm","2015","17","39","7500","","10.1039/C5CE01422K","","","0.71073","MoKα","","0.1178","0.0674","","","0.1597","0.1853","","","","","","1.082","","","","has coordinates","171029","2020-10-21","18:00:00",""
"7221964","9.8572","0.0002","23.1109","0.0004","31.842","0.0005","90","","90","","90","","7253.9","0.2","133","2","133","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Icariin","","","- C37 H50 O16 -","- C37 H50 O16 -","- C296 H400 O128 -","8","2","","Jia, Lina; Zhang, Qi; Wang, Jian-Rong; Mei, Xuefeng","Versatile solid modifications of icariin: structure, properties and form transformation","CrystEngComm","2015","17","39","7500","","10.1039/C5CE01422K","","","1.54178","CuKα","","0.0796","0.0637","","","0.163","0.175","","","","","","1.047","","","","has coordinates","171029","2020-10-21","18:00:00",""
"7221965","9.7994","0.0007","23.0446","0.0016","31.541","0.002","90","","90","","90","","7122.7","0.8","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Icariin","","","- C35.5 H47 O15.5 -","- C35.5 H44.5 O15.5 -","- C284 H356 O124 -","8","2","","Jia, Lina; Zhang, Qi; Wang, Jian-Rong; Mei, Xuefeng","Versatile solid modifications of icariin: structure, properties and form transformation","CrystEngComm","2015","17","39","7500","","10.1039/C5CE01422K","","","0.71073","MoKα","","0.1952","0.0926","","","0.1747","0.2247","","","","","","1.046","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7221966","9.8881","0.0013","22.984","0.003","31.311","0.004","90","","90","","90","","7116","1.6","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Icariin","","","- C35.5 H46 O15.5 -","- C35.5 H45 O15.5 -","- C284 H360 O124 -","8","2","","Jia, Lina; Zhang, Qi; Wang, Jian-Rong; Mei, Xuefeng","Versatile solid modifications of icariin: structure, properties and form transformation","CrystEngComm","2015","17","39","7500","","10.1039/C5CE01422K","","","0.71073","MoKα","","0.1265","0.066","","","0.1572","0.191","","","","","","0.993","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7221973","7.6584","0.0007","10.2121","0.0008","13.1295","0.0011","108.228","0.006","97.789","0.007","92.502","0.007","962.26","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H28 N2 O S -","- C21 H28 N2 O S -","- C42 H56 N4 O2 S2 -","2","1","","Saeed, Aamer; Bolte, Michael; Erben, Mauricio F.; Pérez, Hiram","Intermolecular interactions in crystalline 1-(adamantane-1-carbonyl)-3-substituted thioureas with Hirshfeld surface analysis","CrystEngComm","2015","17","39","7551","","10.1039/C5CE01373A","","","0.71073","MoKα","","0.0434","0.0409","","","0.1064","0.1084","","","","","","1.054","","","","has coordinates","171414","2020-10-21","18:00:00",""
"7221974","12.5435","0.0003","9.656","0.0002","16.5414","0.0004","90","","90","","90","","2003.49","0.08","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C16 H18 Br2 Hg N4 O2 -","- C16 H18 Br2 Hg N4 O2 -","- C64 H72 Br8 Hg4 N16 O8 -","4","0.5","","Thapa, Kedar Bahadur; Hsu, Yi-Fen; Lin, Hsuan-Chou; Chen, Jhy-Der","Hg(ii) supramolecular isomers: structural transformation and photoluminescence change","CrystEngComm","2015","17","39","7574","","10.1039/C5CE01098E","","","0.71073","MoKα","","0.0551","0.0326","","","0.0784","0.0882","","","","","","1.023","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221975","8.459","0.0001","8.459","0.0001","27.3117","0.0005","90","","90","","90","","1954.28","0.05","296","2","296","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C16 H18 Br2 Hg N4 O2 -","- C16 H18 Br2 Hg N4 O2 -","- C64 H72 Br8 Hg4 N16 O8 -","4","0.5","","Thapa, Kedar Bahadur; Hsu, Yi-Fen; Lin, Hsuan-Chou; Chen, Jhy-Der","Hg(ii) supramolecular isomers: structural transformation and photoluminescence change","CrystEngComm","2015","17","39","7574","","10.1039/C5CE01098E","","","0.71073","MoKα","","0.0456","0.0317","","","0.0555","0.0585","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221976","9.6919","0.0001","16.6752","0.0002","12.9961","0.0002","90","","90","","90","","2100.36","0.05","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H18 Hg I2 N4 O2 -","- C16 H18 Hg I2 N4 O2 -","- C64 H72 Hg4 I8 N16 O8 -","4","0.5","","Thapa, Kedar Bahadur; Hsu, Yi-Fen; Lin, Hsuan-Chou; Chen, Jhy-Der","Hg(ii) supramolecular isomers: structural transformation and photoluminescence change","CrystEngComm","2015","17","39","7574","","10.1039/C5CE01098E","","","0.71073","MoKα","","0.0534","0.0321","","","0.0768","0.0858","","","","","","1.039","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221977","8.5784","0.0001","8.5784","0.0001","27.9769","0.0005","90","","90","","90","","2058.79","0.05","296","2","296","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C16 H18 Hg I2 N4 O2 -","- C16 H18 Hg I2 N4 O2 -","- C64 H72 Hg4 I8 N16 O8 -","4","0.5","","Thapa, Kedar Bahadur; Hsu, Yi-Fen; Lin, Hsuan-Chou; Chen, Jhy-Der","Hg(ii) supramolecular isomers: structural transformation and photoluminescence change","CrystEngComm","2015","17","39","7574","","10.1039/C5CE01098E","","","0.71073","MoKα","","0.0527","0.0291","","","0.0461","0.0512","","","","","","1.004","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221983","18.816","0.004","18.816","0.004","21.441","0.005","90","","90","","120","","6574","3","104","","104","","","","","","","","","6","R 3","R 3","146","","","","- C57 H60 N6 O55 S3 Zn9 -","- C57 H60 N6 O55 S3 Zn9 -","- C171 H180 N18 O165 S9 Zn27 -","3","","","Tahier, Tayyibah; Oliver, Clive L.","In situ variable-temperature single crystal X-ray diffraction studies of the single-crystal-to-single-crystal dehydration and rehydration of a mixed-ligand 2D zinc metal‒organic framework using trimesate and 4,4′-bipyridine-N,N′-dioxide as ligands","CrystEngComm","2015","17","46","8946","","10.1039/C5CE01297J","","","0.71073","MoKα","","0.0394","0.0383","","","0.1085","0.109","","","","","","1.071","","","","has coordinates,has disorder","173745","2020-10-21","18:00:00",""
"7221984","18.798","0.019","18.798","","21.57","0.02","90","","90","","120","","6601","9","298","","298","","","","","","","","","6","R 3","R 3","146","","","","- C57 H54 N6 O51.2 S3 Zn9 -","- C57 H54 N6 O52.21 S3 Zn9 -","- C171 H162 N18 O156.63 S9 Zn27 -","3","","","Tahier, Tayyibah; Oliver, Clive L.","In situ variable-temperature single crystal X-ray diffraction studies of the single-crystal-to-single-crystal dehydration and rehydration of a mixed-ligand 2D zinc metal‒organic framework using trimesate and 4,4′-bipyridine-N,N′-dioxide as ligands","CrystEngComm","2015","17","46","8946","","10.1039/C5CE01297J","","","0.71073","MoKα","","0.0608","0.0519","","","0.1465","0.1524","","","","","","1.081","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221985","18.795","0.018","18.795","","21.47","0.02","90","","90","","120","","6568","9","323","","323","","","","","","","","","6","R 3","R 3","146","","","","- C57 H54 N6 O48.96 S3 Zn9 -","- C57 H54 N6 O48.96 S3 Zn9 -","- C171 H162 N18 O146.88 S9 Zn27 -","3","","","Tahier, Tayyibah; Oliver, Clive L.","In situ variable-temperature single crystal X-ray diffraction studies of the single-crystal-to-single-crystal dehydration and rehydration of a mixed-ligand 2D zinc metal‒organic framework using trimesate and 4,4′-bipyridine-N,N′-dioxide as ligands","CrystEngComm","2015","17","46","8946","","10.1039/C5CE01297J","","","0.71073","MoKα","","0.0539","0.0482","","","0.1347","0.1372","","","","","","1.066","","","","has coordinates","173745","2020-10-21","18:00:00",""
"7221986","18.889","0.019","18.889","0.019","21.67","0.02","90","","90","","120","","6696","11","373","","373","","","","","","","","","6","R 3","R 3","146","","","","- C57 H42 N6 O42 S3 Zn9 -","- C57 H42 N6 O42 S3 Zn9 -","- C171 H126 N18 O126 S9 Zn27 -","3","","","Tahier, Tayyibah; Oliver, Clive L.","In situ variable-temperature single crystal X-ray diffraction studies of the single-crystal-to-single-crystal dehydration and rehydration of a mixed-ligand 2D zinc metal‒organic framework using trimesate and 4,4′-bipyridine-N,N′-dioxide as ligands","CrystEngComm","2015","17","46","8946","","10.1039/C5CE01297J","","","0.71073","MoKα","","0.0635","0.0508","","","0.1377","0.1473","","","","","","1.024","","","","has coordinates","173745","2020-10-21","18:00:00",""
"7221987","18.723","0.005","18.723","0.005","21.353","0.006","90","","90","","120","","6482","3","298","","298","","","","","","","","","6","R 3","R 3","146","","","","- C57 H42 N6 O42 S3 Zn9 -","- C57 H42 N6 O42 S3 Zn9 -","- C171 H126 N18 O126 S9 Zn27 -","3","","","Tahier, Tayyibah; Oliver, Clive L.","In situ variable-temperature single crystal X-ray diffraction studies of the single-crystal-to-single-crystal dehydration and rehydration of a mixed-ligand 2D zinc metal‒organic framework using trimesate and 4,4′-bipyridine-N,N′-dioxide as ligands","CrystEngComm","2015","17","46","8946","","10.1039/C5CE01297J","","","0.71073","MoKα","","0.088","0.0556","","","0.1379","0.159","","","","","","0.911","","","","has coordinates","173745","2020-10-21","18:00:00",""
"7221988","18.815","0.005","18.815","0.005","21.425","0.006","90","","90","","120","","6568","3","298","2","298","","","","","","","","","6","R 3","R 3","146","","","","- C57 H42 N6 O50.95 S3 Zn9 -","- C57 H42 N6 O50.952 S3 Zn9 -","- C171 H126 N18 O152.856 S9 Zn27 -","3","","","Tahier, Tayyibah; Oliver, Clive L.","In situ variable-temperature single crystal X-ray diffraction studies of the single-crystal-to-single-crystal dehydration and rehydration of a mixed-ligand 2D zinc metal‒organic framework using trimesate and 4,4′-bipyridine-N,N′-dioxide as ligands","CrystEngComm","2015","17","46","8946","","10.1039/C5CE01297J","","","0.71073","MoKα","","0.0738","0.061","","","0.1578","0.1654","","","","","","1.099","","","","has coordinates","173745","2020-10-21","18:00:00",""
"7221991","26.0119","0.0001","26.0119","0.0001","26.0119","0.0001","90","","90","","90","","17600.1","0.12","293","2","293","2","","","","","","","","4","P 41 3 2","P 4bd 2ab 3","213","","","","- C162 H98 O58 Zn9 -","- C162 H71.4 O58 Zn9 -","- C648 H285.6 O232 Zn36 -","4","0.166667","","Zhong, Ruiqin; Liu, Jia; Huang, Xing; Yu, Xiaofeng; Sun, Changyu; Chen, Guangjin; Zou, Ruqiang","Experimental and theoretical investigation of a stable zinc-based metal‒organic framework for CO2removal from syngas","CrystEngComm","2015","17","43","8221","","10.1039/C5CE01320H","","","1.54178","CuKα","","0.1165","0.076","","","0.2333","0.2652","","","","","","1.057","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221992","15.103","0.0007","3.913","0.0003","23.4694","0.0012","90","","101.363","0.009","90","","1359.81","0.15","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-[(3-phenylprop-2-en-1-ylidene)hydrazinylidene]-1,2-dihydrophthalazine","","- C17 H14 N4 -","- C17 H14 N4 -","- C68 H56 N16 -","4","1","","Trzesowska-Kruszynska, Agata","Solid-state studies of phthalazinylhydrazones and triazolophthalazines: the role of the nitro group","CrystEngComm","2015","17","40","7702","","10.1039/C5CE00846H","","","1.54178","CuKα","","0.0339","0.0333","","","0.091","0.092","","","","","","1.048","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221993","15.7972","0.0007","9.2961","0.0004","21.2681","0.001","90","","106.516","0.002","90","","2994.4","0.2","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(2-nitrobenzylidene)-1-(phthalazin-1(2H)-ylidene)hydrazinium chloride hemihydrate","","- C30 H26 Cl2 N10 O5 -","- C30 H26 Cl2 N10 O5 -","- C120 H104 Cl8 N40 O20 -","4","1","","Trzesowska-Kruszynska, Agata","Solid-state studies of phthalazinylhydrazones and triazolophthalazines: the role of the nitro group","CrystEngComm","2015","17","40","7702","","10.1039/C5CE00846H","","","1.54178","CuKα","","0.0459","0.0452","","","0.1265","0.1271","","","","","","1.058","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221994","7.6745","0.0005","12.8403","0.0011","12.6474","0.0011","90","","91.174","0.006","90","","1246.05","0.17","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-(2-nitrophenyl)[1,2,4]triazolo[3,4-a]phthalazine","","- C15 H9 N5 O2 -","- C15 H9 N5 O2 -","- C60 H36 N20 O8 -","4","1","","Trzesowska-Kruszynska, Agata","Solid-state studies of phthalazinylhydrazones and triazolophthalazines: the role of the nitro group","CrystEngComm","2015","17","40","7702","","10.1039/C5CE00846H","","","1.54178","CuKα","","0.0309","0.0304","","","0.0803","0.0808","","","","","","1.064","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221995","7.9151","0.0008","14.3022","0.0011","12.8292","0.0009","90","","105.157","0.009","90","","1401.8","0.2","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(3-nitrobenzylidene)-1-(phthalazin-1(2H)-ylidene)hydrazinium chloride","","- C15 H12 Cl N5 O2 -","- C15 H12 Cl N5 O2 -","- C60 H48 Cl4 N20 O8 -","4","1","","Trzesowska-Kruszynska, Agata","Solid-state studies of phthalazinylhydrazones and triazolophthalazines: the role of the nitro group","CrystEngComm","2015","17","40","7702","","10.1039/C5CE00846H","","","1.54178","CuKα","","0.0255","0.0254","","","0.0715","0.0716","","","","","","1.041","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221996","14.1361","0.0009","3.7858","0.0003","24.2876","0.0015","90","","94.009","0.006","90","","1296.61","0.15","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(3-nitrobenzylidene)-1-(phthalazin-1(2H)-ylidene)hydrazine","","- C15 H11 N5 O2 -","- C15 H11 N5 O2 -","- C60 H44 N20 O8 -","4","1","","Trzesowska-Kruszynska, Agata","Solid-state studies of phthalazinylhydrazones and triazolophthalazines: the role of the nitro group","CrystEngComm","2015","17","40","7702","","10.1039/C5CE00846H","","","1.54178","CuKα","","0.0363","0.0328","","","0.0891","0.0929","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221997","7.6948","0.0008","7.7883","0.0008","23.7516","0.0019","85.64","0.004","84.706","0.005","61.897","0.004","1249.4","0.2","291","1","291","1","","","","","","","","4","P -1","-P 1","2","","3-(3-nitrophenyl)[1,2,4]triazolo[3,4-a]phthalazine","","- C15 H9 N5 O2 -","- C15 H9 N5 O2 -","- C60 H36 N20 O8 -","4","2","","Trzesowska-Kruszynska, Agata","Solid-state studies of phthalazinylhydrazones and triazolophthalazines: the role of the nitro group","CrystEngComm","2015","17","40","7702","","10.1039/C5CE00846H","","","1.54178","CuKα","","0.0932","0.0689","","","0.1906","0.2052","","","","","","1.063","","","","has coordinates","171089","2020-10-21","18:00:00",""
"7221998","6.8464","0.0007","13.9346","0.0011","16.3696","0.0014","90","","95.459","0.007","90","","1554.6","0.2","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(4-nitrobenzylidene)-1-(phthalazin-1(2H)-ylidene)hydrazinium chloride methanol solvate","","- C31 H28 Cl2 N10 O5 -","- C31 H28 Cl2 N10 O5 -","- C62 H56 Cl4 N20 O10 -","2","0.5","","Trzesowska-Kruszynska, Agata","Solid-state studies of phthalazinylhydrazones and triazolophthalazines: the role of the nitro group","CrystEngComm","2015","17","40","7702","","10.1039/C5CE00846H","","","1.54178","CuKα","","0.0278","0.0278","","","0.0748","0.0748","","","","","","1.08","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221999","14.9193","0.0004","3.8014","0.0001","23.8964","0.0007","90","","107.195","0.001","90","","1294.69","0.06","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-nitrobenzylidene)-1-(phthalazin-1(2H)-ylidene)hydrazine","","- C15 H11 N5 O2 -","- C15 H11 N5 O2 -","- C60 H44 N20 O8 -","4","1","","Trzesowska-Kruszynska, Agata","Solid-state studies of phthalazinylhydrazones and triazolophthalazines: the role of the nitro group","CrystEngComm","2015","17","40","7702","","10.1039/C5CE00846H","","","1.54178","CuKα","","0.0351","0.033","","","0.0957","0.0979","","","","","","1.056","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222000","7.0341","0.0009","7.376","0.0009","12.4146","0.0011","79.762","0.006","79.663","0.009","78.553","0.009","614.27","0.12","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","3-(4-nitrophenyl)[1,2,4]triazolo[3,4-a]phthalazine","","- C15 H9 N5 O2 -","- C15 H9 N5 O2 -","- C30 H18 N10 O4 -","2","1","","Trzesowska-Kruszynska, Agata","Solid-state studies of phthalazinylhydrazones and triazolophthalazines: the role of the nitro group","CrystEngComm","2015","17","40","7702","","10.1039/C5CE00846H","","","1.54178","CuKα","","0.0381","0.0357","","","0.0978","0.1017","","","","","","1.074","","","","has coordinates","171089","2020-10-21","18:00:00",""
"7222001","7.7747","0.0005","9.9551","0.0006","12.0764","0.0009","99.836","0.004","102.862","0.004","91.51","0.005","895.82","0.11","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","2-[3-(4-nitrophenyl)prop-2-en-1-ylidene]-1-(phthalazin-1(2H)-ylidene)hydrazinium chloride methanol solvate","","- C18 H18 Cl N5 O3 -","- C18 H18 Cl N5 O3 -","- C36 H36 Cl2 N10 O6 -","2","1","","Trzesowska-Kruszynska, Agata","Solid-state studies of phthalazinylhydrazones and triazolophthalazines: the role of the nitro group","CrystEngComm","2015","17","40","7702","","10.1039/C5CE00846H","","","1.54178","CuKα","","0.0283","0.0283","","","0.079","0.079","","","","","","1.058","","","","has coordinates","171089","2020-10-21","18:00:00",""
"7222002","6.9683","0.0012","7.625","0.0017","14.408","0.003","75.576","0.014","87.07","0.02","68.757","0.017","690.4","0.3","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","3-[2-(4-nitrophenyl)ethenyl][1,2,4]triazolo[3,4-a]phthalazine","","- C17 H11 N5 O2 -","- C17 H11 N5 O2 -","- C34 H22 N10 O4 -","2","1","","Trzesowska-Kruszynska, Agata","Solid-state studies of phthalazinylhydrazones and triazolophthalazines: the role of the nitro group","CrystEngComm","2015","17","40","7702","","10.1039/C5CE00846H","","","1.54178","CuKα","","0.0362","0.0348","","","0.0959","0.0991","","","","","","1.056","","","","has coordinates","171089","2020-10-21","18:00:00",""
"7222003","12.3783","0.0008","13.7779","0.0009","19.8004","0.0012","90","","90","","90","","3376.9","0.4","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-(3-phenylprop-2-en-1-ylidene)-1-(phthalazin-1(2H)-ylidene)hydrazinium chloride methanol solvate","","- C18 H19 Cl N4 O -","- C18 H19 Cl N4 O -","- C144 H152 Cl8 N32 O8 -","8","1","","Trzesowska-Kruszynska, Agata","Solid-state studies of phthalazinylhydrazones and triazolophthalazines: the role of the nitro group","CrystEngComm","2015","17","40","7702","","10.1039/C5CE00846H","","","1.54178","CuKα","","0.0307","0.0307","","","0.0819","0.082","","","","","","1.075","","","","has coordinates","171089","2020-10-21","18:00:00",""
"7222004","12.7373","0.0009","4.8963","0.0005","22.33","0.0016","90","","95.249","0.009","90","","1386.8","0.2","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-[(3-phenylprop-2-en-1-ylidene)hydrazinylidene]-1,2-dihydrophthalazine","","- C17 H14 N4 -","- C17 H14 N4 -","- C68 H56 N16 -","4","1","","Trzesowska-Kruszynska, Agata","Solid-state studies of phthalazinylhydrazones and triazolophthalazines: the role of the nitro group","CrystEngComm","2015","17","40","7702","","10.1039/C5CE00846H","","","1.54178","CuKα","","0.0329","0.0315","","","0.086","0.0874","","","","","","1.059","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222005","10.636","0.0003","4.7798","0.0001","23.0987","0.0009","90","","96.131","0.002","90","","1167.57","0.06","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","lawsone-bipyridyl","","","- C30 H20 N2 O6 -","- C30 H20 N2 O6 -","- C60 H40 N4 O12 -","2","0.5","","Pallipurath, Anuradha; Skelton, Jonathan M.; Delori, Amit; Duffy, Connor; Erxleben, Andrea; Jones, William","Crystalline adducts of the Lawsone molecule (2-hydroxy-1,4-naphthaquinone): optical properties and computational modelling","CrystEngComm","2015","17","40","7684","","10.1039/C5CE01644D","","","0.71073","MoKα","","0.0634","0.039","","","0.092","0.096","","","","","","0.905","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222006","3.8157","0.0001","28.0772","0.0007","11.2326","0.0003","90","","96.542","0.002","90","","1195.56","0.05","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","lawsone-ethylenebipyridine","","","- C32 H22 N2 O6 -","- C32 H22 N2 O6 -","- C64 H44 N4 O12 -","2","0.5","","Pallipurath, Anuradha; Skelton, Jonathan M.; Delori, Amit; Duffy, Connor; Erxleben, Andrea; Jones, William","Crystalline adducts of the Lawsone molecule (2-hydroxy-1,4-naphthaquinone): optical properties and computational modelling","CrystEngComm","2015","17","40","7684","","10.1039/C5CE01644D","","","0.71073","MoKα","","0.1185","0.0578","","","0.1227","0.1408","","","","","","1.04","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222007","22.5402","0.0009","50.511","0.002","4.6451","0.0002","90","","90","","90","","5288.6","0.4","180","2","180","2","","","","","","","","4","F d d 2","F 2 -2d","43","lawsone-trimethylenebipyridine","","","- C33 H26 N2 O6 -","- C33 H26 N2 O6 -","- C264 H208 N16 O48 -","8","0.5","","Pallipurath, Anuradha; Skelton, Jonathan M.; Delori, Amit; Duffy, Connor; Erxleben, Andrea; Jones, William","Crystalline adducts of the Lawsone molecule (2-hydroxy-1,4-naphthaquinone): optical properties and computational modelling","CrystEngComm","2015","17","40","7684","","10.1039/C5CE01644D","","","0.71073","MoKα","","0.0293","0.0261","","","0.063","0.0652","","","","","","1.083","","","","has coordinates","171091","2020-10-21","18:00:00",""
"7222008","13.6937","0.0012","5.1534","0.0003","17.5288","0.0012","90","","92.329","0.007","90","","1235.97","0.16","299.3","0.6","299.3","0.6","","","","","","","","4","P 1 21/n 1","-P 2yn","14","lawsone-hydroxypyridine","","","- C15 H11 N O4 -","- C15 H11 N O4 -","- C60 H44 N4 O16 -","4","1","","Pallipurath, Anuradha; Skelton, Jonathan M.; Delori, Amit; Duffy, Connor; Erxleben, Andrea; Jones, William","Crystalline adducts of the Lawsone molecule (2-hydroxy-1,4-naphthaquinone): optical properties and computational modelling","CrystEngComm","2015","17","40","7684","","10.1039/C5CE01644D","","","0.71073","MoKα","","0.0748","0.0445","","","0.1047","0.1242","","","","","","1.014","","","","has coordinates","171091","2020-10-21","18:00:00",""
"7222020","8.494","0.0009","31.934","0.004","10.1921","0.0011","90","","106.524","0.002","90","","2650.4","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 N4 O8 S Zn -","- C26 H18 N4 O8 S Zn -","- C104 H72 N16 O32 S4 Zn4 -","4","1","","Guo, Huadong; Yan, Yongnian; Wang, Nan; Guo, Xianmin; Zheng, Guoli; Qi, Yanjuan","A series of entangled coordination polymers assembled by a V-shaped bisimidazole ligand and various dicarboxylic acids: synthesis, characterization and luminescence properties","CrystEngComm","2015","17","34","6512","","10.1039/C5CE00903K","","","0.71073","MoKα","","0.0666","0.0476","","","0.1281","0.1409","","","","","","1.056","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222021","9.8185","0.0007","11.7979","0.0008","12.0667","0.0008","92.113","0.001","96.599","0.001","103.681","0.001","1346.15","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H52 N8 O14 S2 Zn2 -","- C52 H52 N8 O14 S2 Zn2 -","- C52 H52 N8 O14 S2 Zn2 -","1","0.5","","Guo, Huadong; Yan, Yongnian; Wang, Nan; Guo, Xianmin; Zheng, Guoli; Qi, Yanjuan","A series of entangled coordination polymers assembled by a V-shaped bisimidazole ligand and various dicarboxylic acids: synthesis, characterization and luminescence properties","CrystEngComm","2015","17","34","6512","","10.1039/C5CE00903K","","","0.71073","MoKα","","0.0482","0.0379","","","0.1084","0.1243","","","","","","1.084","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222022","9.796","0.002","12.414","0.003","12.664","0.003","87.546","0.004","89.132","0.004","84.732","0.004","1532","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H48 N8 O12 S2 Zn2 -","- C68 H46 N8 O12 S2 Zn2 -","- C68 H46 N8 O12 S2 Zn2 -","1","0.5","","Guo, Huadong; Yan, Yongnian; Wang, Nan; Guo, Xianmin; Zheng, Guoli; Qi, Yanjuan","A series of entangled coordination polymers assembled by a V-shaped bisimidazole ligand and various dicarboxylic acids: synthesis, characterization and luminescence properties","CrystEngComm","2015","17","34","6512","","10.1039/C5CE00903K","","","0.71073","MoKα","","0.0724","0.0432","","","0.1095","0.1372","","","","","","1.077","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222023","24.0679","0.0011","17.2213","0.0007","14.2795","0.0006","90","","90.854","0.001","90","","5917.9","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H24 N4 O8 S Zn -","- C32 H22 N4 O8 S Zn -","- C256 H176 N32 O64 S8 Zn8 -","8","1","","Guo, Huadong; Yan, Yongnian; Wang, Nan; Guo, Xianmin; Zheng, Guoli; Qi, Yanjuan","A series of entangled coordination polymers assembled by a V-shaped bisimidazole ligand and various dicarboxylic acids: synthesis, characterization and luminescence properties","CrystEngComm","2015","17","34","6512","","10.1039/C5CE00903K","","","0.71073","MoKα","","0.0719","0.0418","","","0.1129","0.1414","","","","","","1.058","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222024","14.2687","0.0007","15.7567","0.0007","16.2206","0.0007","67.915","0.001","79.632","0.001","73.899","0.001","3234.9","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H54 N8 O21 S4 Zn2 -","- C64 H48 N8 O21 S4 Zn2 -","- C128 H96 N16 O42 S8 Zn4 -","2","1","","Guo, Huadong; Yan, Yongnian; Wang, Nan; Guo, Xianmin; Zheng, Guoli; Qi, Yanjuan","A series of entangled coordination polymers assembled by a V-shaped bisimidazole ligand and various dicarboxylic acids: synthesis, characterization and luminescence properties","CrystEngComm","2015","17","34","6512","","10.1039/C5CE00903K","","","0.71073","MoKα","","0.0651","0.0434","","","0.1198","0.1359","","","","","","1.109","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222025","22.7246","0.0008","18.9485","0.0007","13.5373","0.0005","90","","93.8","0.001","90","","5816.3","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C64 H50 Cd2 N8 O15 S2 -","- C64 H44 Cd2 N8 O15 S2 -","- C256 H176 Cd8 N32 O60 S8 -","4","0.5","","Guo, Huadong; Yan, Yongnian; Wang, Nan; Guo, Xianmin; Zheng, Guoli; Qi, Yanjuan","A series of entangled coordination polymers assembled by a V-shaped bisimidazole ligand and various dicarboxylic acids: synthesis, characterization and luminescence properties","CrystEngComm","2015","17","34","6512","","10.1039/C5CE00903K","","","0.71073","MoKα","","0.054","0.0392","","","0.1183","0.141","","","","","","1.108","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222026","20.327","0.009","10.439","0.005","28.387","0.012","90","","103.948","0.008","90","","5846","5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H44 Cd2 N8 O16 S2 -","- C60 H40 Cd2 N8 O16 S2 -","- C240 H160 Cd8 N32 O64 S8 -","4","0.5","","Guo, Huadong; Yan, Yongnian; Wang, Nan; Guo, Xianmin; Zheng, Guoli; Qi, Yanjuan","A series of entangled coordination polymers assembled by a V-shaped bisimidazole ligand and various dicarboxylic acids: synthesis, characterization and luminescence properties","CrystEngComm","2015","17","34","6512","","10.1039/C5CE00903K","","","0.71073","MoKα","","0.0814","0.0441","","","0.1138","0.1396","","","","","","1.036","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222027","10.8259","0.0006","19.6449","0.001","16.287","0.0009","90","","90.987","0.001","90","","3463.3","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H29 Cd N5 O8 S -","- C33 H27 Cd N5 O8 S -","- C132 H108 Cd4 N20 O32 S4 -","4","1","","Guo, Huadong; Yan, Yongnian; Wang, Nan; Guo, Xianmin; Zheng, Guoli; Qi, Yanjuan","A series of entangled coordination polymers assembled by a V-shaped bisimidazole ligand and various dicarboxylic acids: synthesis, characterization and luminescence properties","CrystEngComm","2015","17","34","6512","","10.1039/C5CE00903K","","","0.71073","MoKα","","0.0628","0.04","","","0.1065","0.122","","","","","","1.064","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222028","6.0695","0.0004","8.3911","0.0007","26.115","0.006","89.456","0.012","84.079","0.012","76.113","0.006","1284.1","0.3","299","2","299","2","300000","","300000","","","","","4","P -1","-P 1","2","","","","- C30 H37 N O3 -","- C30 H37 N O3 -","- C60 H74 N2 O6 -","2","1","","Konieczny, K.; Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 2. The path of a photochemical intramolecular reaction in crystals at different pressures","CrystEngComm","2015","17","40","7693","","10.1039/C5CE01238D","","","0.71073","MoKα","","0.1794","0.0858","","","0.1863","0.237","","","","","","1.02","","","","has coordinates","171090","2020-10-21","18:00:00",""
"7222029","6.0634","0.0005","8.424","0.0008","26.071","0.006","89.426","0.014","83.996","0.013","76.122","0.008","1285.5","0.3","299","2","299","2","300000","","300000","","","","","4","P -1","-P 1","2","","","","- C30 H37 N O3 -","- C30 H36.803 N O3 -","- C60 H73.606 N2 O6 -","2","1","","Konieczny, K.; Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 2. The path of a photochemical intramolecular reaction in crystals at different pressures","CrystEngComm","2015","17","40","7693","","10.1039/C5CE01238D","","","0.71073","MoKα","","0.2094","0.0987","","","0.2188","0.2827","","","","","","1.05","","","","has coordinates,has disorder","171090","2020-10-21","18:00:00",""
"7222030","6.0554","0.0004","8.459","0.0004","25.964","0.006","89.446","0.009","83.899","0.011","76.113","0.005","1283.6","0.3","299","2","299","2","300000","","300000","","","","","4","P -1","-P 1","2","","","","- C30 H37 N O3 -","- C30 H36.711 N O3 -","- C60 H73.422 N2 O6 -","2","1","","Konieczny, K.; Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 2. The path of a photochemical intramolecular reaction in crystals at different pressures","CrystEngComm","2015","17","40","7693","","10.1039/C5CE01238D","","","0.71073","MoKα","","0.2241","0.1087","","","0.2639","0.3392","","","","","","1.048","","","","has coordinates,has disorder","171090","2020-10-21","18:00:00",""
"7222031","6.0463","0.0007","8.5062","0.0007","25.806","0.007","89.348","0.014","83.848","0.017","76.058","0.009","1280.6","0.4","299","2","299","2","300000","","300000","","","","","4","P -1","-P 1","2","","","","- C30 H37 N O3 -","- C30 H36.62 N O3 -","- C60 H73.24 N2 O6 -","2","1","","Konieczny, K.; Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 2. The path of a photochemical intramolecular reaction in crystals at different pressures","CrystEngComm","2015","17","40","7693","","10.1039/C5CE01238D","","","0.71073","MoKα","","0.2813","0.1244","","","0.2994","0.3968","","","","","","1.127","","","","has coordinates,has disorder","171090","2020-10-21","18:00:00",""
"7222032","6.035","0.0015","8.5245","0.0015","25.662","0.009","89.33","0.03","84.02","0.04","76.051","0.018","1274.2","0.6","299","2","299","2","300000","","300000","","","","","4","P -1","-P 1","2","","","","- C30 H37 N O3 -","- C30 H36.59 N O3 -","- C60 H73.18 N2 O6 -","2","1","","Konieczny, K.; Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 2. The path of a photochemical intramolecular reaction in crystals at different pressures","CrystEngComm","2015","17","40","7693","","10.1039/C5CE01238D","","","0.71073","MoKα","","0.2888","0.1362","","","0.3416","0.426","","","","","","1.214","","","","has coordinates,has disorder","171090","2020-10-21","18:00:00",""
"7222033","5.8708","0.001","8.2465","0.0009","25.906","0.009","90.242","0.018","83.83","0.03","75.925","0.012","1208.9","0.5","299","2","299","2","900000","","900000","","","","","4","P -1","-P 1","2","","","","- C30 H37 N O3 -","- C30 H37 N O3 -","- C60 H74 N2 O6 -","2","1","","Konieczny, K.; Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 2. The path of a photochemical intramolecular reaction in crystals at different pressures","CrystEngComm","2015","17","40","7693","","10.1039/C5CE01238D","","","0.71073","MoKα","","0.2353","0.1118","","","0.2701","0.3629","","","","","","1.023","","","","has coordinates","171090","2020-10-21","18:00:00",""
"7222034","5.8654","0.0012","8.2731","0.001","25.827","0.009","90.2","0.019","83.68","0.03","75.915","0.015","1207.6","0.5","299","2","299","2","","","900000","","","","","4","P -1","-P 1","2","","","","- C30 H37 N O3 -","- C30 H36.83 N O3 -","- C60 H73.66 N2 O6 -","2","1","","Konieczny, K.; Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 2. The path of a photochemical intramolecular reaction in crystals at different pressures","CrystEngComm","2015","17","40","7693","","10.1039/C5CE01238D","","","0.71073","MoKα","","0.2835","0.1415","","","0.324","0.4244","","","","","","1.234","","","","has coordinates,has disorder","171090","2020-10-21","18:00:00",""
"7222035","5.8605","0.0014","8.2848","0.001","25.791","0.009","90.17","0.02","83.63","0.04","75.954","0.016","1206.7","0.5","299","2","299","2","900000","","900000","","","","","4","P -1","-P 1","2","","","","- C30 H37 N O3 -","- C30 H36.78 N O3 -","- C60 H73.56 N2 O6 -","2","1","","Konieczny, K.; Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 2. The path of a photochemical intramolecular reaction in crystals at different pressures","CrystEngComm","2015","17","40","7693","","10.1039/C5CE01238D","","","0.71073","MoKα","","0.299","0.1408","","","0.3361","0.4385","","","","","","1.223","","","","has coordinates,has disorder","171090","2020-10-21","18:00:00",""
"7222053","11.0915","0.0002","13.6907","0.0004","15.0334","0.0004","90","","91.931","0.002","90","","2281.53","0.1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H5 N O -","- C7 H5 N O -","- C112 H80 N16 O16 -","16","4","","Wang, Yu-Ling; Chen, Lin; Liu, Qing-Yan; Du, Zi-Yi; Yao, Yang","Coexistence of a pair of enantiomorphic forms of chiral quartz nets with an interpenetrating mode in a centrosymmetric coordination polymer","CrystEngComm","2015","17","40","7628","","10.1039/C5CE01400J","","","0.71073","MoKα","","0.0914","0.0469","","","0.1027","0.1276","","","","","","1.009","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222054","36.07","0.002","21.17","0.0012","17.8547","0.0011","90","","91.22","0.004","90","","13630.8","1.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C84 H54 N12 O12 Zn3 -","- C84 H54 N12 O12 Zn3 -","- C336 H216 N48 O48 Zn12 -","4","0.5","","Wang, Yu-Ling; Chen, Lin; Liu, Qing-Yan; Du, Zi-Yi; Yao, Yang","Coexistence of a pair of enantiomorphic forms of chiral quartz nets with an interpenetrating mode in a centrosymmetric coordination polymer","CrystEngComm","2015","17","40","7628","","10.1039/C5CE01400J","","","0.71073","MoKα","","0.1215","0.0715","","","0.2087","0.2226","","","","","","1.008","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222059","16.177","0.003","7.5746","0.0013","19.698","0.004","90","","107.485","0.009","90","","2302.2","0.8","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 N4 O2 -","- C29 H24 N4 O2 -","- C116 H96 N16 O8 -","4","1","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.0675","0.0609","","","0.1743","0.1852","","","","","","1.205","","","","has coordinates","171043","2020-10-21","18:00:00",""
"7222060","16.337","0.013","7.599","0.006","19.883","0.015","90","","107.782","0.009","90","","2350","3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H25 N3 O2 -","- C30 H25 N3 O2 -","- C120 H100 N12 O8 -","4","1","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.1763","0.0974","","","0.2147","0.2727","","","","","","1.143","","","","has coordinates","171043","2020-10-21","18:00:00",""
"7222061","9.117","0.006","11.604","0.008","18.108","0.012","90","","92.885","0.008","90","","1913","2","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C7 H8 O2 -","- C7 H8 O2 -","- C84 H96 O24 -","12","3","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.0573","0.0524","","","0.1547","0.1589","","","","","","1.139","","","","has coordinates","171043","2020-10-21","18:00:00",""
"7222062","7.6951","0.001","20.299","0.002","9.089","0.001","90","","92.677","0.006","90","","1418.2","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 N2 O2 -","- C17 H16 N2 O2 -","- C68 H64 N8 O8 -","4","1","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.0607","0.0522","","","0.1512","0.1697","","","","","","1.114","","","","has coordinates","171043","2020-10-21","18:00:00",""
"7222063","11.3265","0.001","12.443","0.0011","21.1449","0.0019","90","","90","","90","","2980.1","0.5","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H17 N O2 -","- C18 H17 N O2 -","- C144 H136 N8 O16 -","8","1","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.0584","0.0514","","","0.1184","0.123","","","","","","1.16","","","","has coordinates","171043","2020-10-21","18:00:00",""
"7222064","7.9","0.004","22.159","0.011","8.964","0.005","90","","106.54","0.005","90","","1504.3","1.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 N2 O2 -","- C19 H16 N2 O2 -","- C76 H64 N8 O8 -","4","1","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.0553","0.0484","","","0.1366","0.1492","","","","","","1.1","","","","has coordinates","171043","2020-10-21","18:00:00",""
"7222065","7.842","0.002","21.894","0.004","9.26","0.003","90","","106.278","0.012","90","","1526.1","0.7","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 N O2 -","- C20 H17 N O2 -","- C80 H68 N4 O8 -","4","1","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.0736","0.0632","","","0.1757","0.1915","","","","","","1.14","","","","has coordinates","171043","2020-10-21","18:00:00",""
"7222066","7.986","0.005","16.748","0.01","8.276","0.005","90","","90.474","0.008","90","","1106.9","1.2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 N2 O2 -","- C12 H14 N2 O2 -","- C48 H56 N8 O8 -","4","1","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.0541","0.0488","","","0.1445","0.1559","","","","","","1.125","","","","has coordinates","171043","2020-10-21","18:00:00",""
"7222067","7.718","0.005","18.754","0.011","9.201","0.006","90","","96.278","0.008","90","","1323.8","1.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 N2 O2 -","- C14 H18 N2 O2 -","- C56 H72 N8 O8 -","4","1","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.06","0.054","","","0.1501","0.156","","","","","","1.086","","","","has coordinates","171043","2020-10-21","18:00:00",""
"7222068","20.478","0.004","7.1225","0.0013","12.93","0.003","90","","94.578","0.009","90","","1879.9","0.7","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C22 H22 N2 O4 -","- C22 H22 N2 O4 -","- C88 H88 N8 O16 -","4","1","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.0734","0.0652","","","0.1793","0.1948","","","","","","1.061","","","","has coordinates","171043","2020-10-21","18:00:00",""
"7222069","7.821","0.003","22.849","0.008","8.387","0.003","90","","91.286","0.015","90","","1498.4","0.9","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 N2 O2 -","- C17 H18 N2 O2 -","- C68 H72 N8 O8 -","4","1","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.0623","0.0546","","","0.1524","0.1691","","","","","","1.096","","","","has coordinates","171043","2020-10-21","18:00:00",""
"7222070","9.0198","0.0015","10.7769","0.0018","14.653","0.002","90","","90","","90","","1424.4","0.4","150","2","150","2","","","","","","","","4","P b c 21","P 2c -2b","29","","","","- C15 H20 N2 O2 -","- C15 H20 N2 O2 -","- C60 H80 N8 O8 -","4","1","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.0889","0.056","","","0.1133","0.1282","","","","","","1.02","","","","has coordinates","171043","2020-10-21","18:00:00",""
"7222071","17.8576","0.0019","9.9354","0.001","18.732","0.002","90","","105.457","0.004","90","","3203.3","0.6","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 N2 O2 -","- C19 H18 N2 O2 -","- C152 H144 N16 O16 -","8","2","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.12","0.0796","","","0.2029","0.2461","","","","","","1.116","","","","has coordinates","171043","2020-10-21","18:00:00",""
"7222072","8.139","0.002","12.331","0.004","16.793","0.005","90","","98.031","0.013","90","","1668.9","0.8","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H20 N2 O2 -","- C19 H20 N2 O2 -","- C76 H80 N8 O8 -","4","0.5","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.0799","0.0662","","","0.1964","0.2119","","","","","","1.088","","","","has coordinates","171043","2020-10-21","18:00:00",""
"7222073","18.468","0.003","7.2386","0.0011","11.831","0.002","90","","91.866","0.01","90","","1580.8","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 N4 O2 -","- C17 H16 N4 O2 -","- C68 H64 N16 O8 -","4","1","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.0779","0.0663","","","0.1852","0.2005","","","","","","1.059","","","","has coordinates","171043","2020-10-21","18:00:00",""
"7222074","7.656","0.007","22.46","0.02","8.94","0.008","90","","91.516","0.014","90","","1537","2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 N2 O2 -","- C19 H16 N2 O2 -","- C76 H64 N8 O8 -","4","1","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.0926","0.0721","","","0.1997","0.224","","","","","","1.149","","","","has coordinates","171043","2020-10-21","18:00:00",""
"7222075","7.742","0.004","22.159","0.011","9.1","0.005","90","","93.63","0.005","90","","1558","1.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 N O2 -","- C20 H17 N O2 -","- C80 H68 N4 O8 -","4","1","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.0613","0.0503","","","0.1427","0.1623","","","","","","1.165","","","","has coordinates","171043","2020-10-21","18:00:00",""
"7222076","9.097","0.017","12.117","0.019","12.53","0.02","73.19","0.05","81.98","0.05","75.42","0.05","1276","4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H26 N2 O2 -","- C33 H26 N2 O2 -","- C66 H52 N4 O4 -","2","1","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.2668","0.1231","","","0.2833","0.3809","","","","","","1.002","","","","has coordinates","171043","2020-10-21","18:00:00",""
"7222077","7.734","0.005","9.196","0.006","20.844","0.014","101.37","0.015","94.21","0.03","96.022","0.017","1438.6","1.6","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H34 N4 O4 -","- C33 H34 N4 O4 -","- C66 H68 N8 O8 -","2","1","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.1262","0.0729","","","0.1821","0.2307","","","","","","1.074","","","","has coordinates","171043","2020-10-21","18:00:00",""
"7222078","7.7071","0.0019","8.9632","0.0019","12.79","0.002","78.86","0.04","79.56","0.04","83.81","0.04","850.1","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H48 N6 O4 -","- C36 H48 N6 O4 -","- C36 H48 N6 O4 -","1","0.5","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.0831","0.0632","","","0.1703","0.2029","","","","","","0.981","","","","has coordinates","171043","2020-10-21","18:00:00",""
"7222079","7.287","0.006","9.179","0.007","14.419","0.011","105.567","0.019","90.12","0.03","93.375","0.019","927.3","1.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H23 N2 O2 -","- C22 H23 N2 O2 -","- C44 H46 N4 O4 -","2","1","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.1177","0.0755","","","0.1922","0.2921","","","","","","0.949","","","","has coordinates","171043","2020-10-21","18:00:00",""
"7222080","7.635","0.005","9.055","0.008","17.237","0.013","96.22","0.03","94.09","0.02","113.734","0.015","1075.8","1.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H28 N4 O2 -","- C24 H28 N4 O2 -","- C48 H56 N8 O4 -","2","1","","Mir, Niyaz A.; Dubey, Ritesh; Tothadi, Srinu; Desiraju, Gautam R.","Combinatorial crystal synthesis of ternary solids based on 2-methylresorcinol","CrystEngComm","2015","17","41","7866","","10.1039/C5CE01280E","","","0.71073","MoKα","","0.0675","0.0586","","","0.1696","0.1865","","","","","","1.02","","","","has coordinates","171043","2020-10-21","18:00:00",""
"7222081","19.0009","0.0019","5.2814","0.0009","25.611","0.005","90","","90","","90","","2570.1","0.7","110","1","110","1","","","","","","","","4","P n a 21","P 2c -2n","33","1-{3-[(2-Hydroxy-3-methoxy-benzylidene)-amino]-phenyl}-ethanone","1-{3-[(2-Hydroxy-3-methoxy-benzylidene)-amino]-phenyl}-ethanone","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C128 H120 N8 O24 -","8","2","","Zbačnik, Marija; Nogalo, Ivana; Cinčić, Dominik; Kaitner, Branko","Polymorphism control in the mechanochemical and solution-based synthesis of a thermochromic Schiff base","CrystEngComm","2015","17","41","7870","","10.1039/C5CE01445J","","","0.71073","MoKα","","0.0699","0.0414","","","0.0822","0.0879","","","","","","0.846","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7222082","19.139","0.003","5.314","0.0013","26","0.005","90","","90","","90","","2644.3","0.9","200","2","200","2","","","","","","","","4","P n a 21","P 2c -2n","33","1-{3-[(2-Hydroxy-3-methoxy-benzylidene)-amino]-phenyl}-ethanone","1-{3-[(2-Hydroxy-3-methoxy-benzylidene)-amino]-phenyl}-ethanone","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C128 H120 N8 O24 -","8","2","","Zbačnik, Marija; Nogalo, Ivana; Cinčić, Dominik; Kaitner, Branko","Polymorphism control in the mechanochemical and solution-based synthesis of a thermochromic Schiff base","CrystEngComm","2015","17","41","7870","","10.1039/C5CE01445J","","","0.71073","MoKα","","0.1265","0.0996","","","0.2809","0.2945","","","","","","1.047","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7222083","4.8773","0.0005","13.7541","0.0014","20.395","0.0018","90","","90","","90","","1368.2","0.2","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1-{3-[(2-Hydroxy-3-methoxy-benzylidene)-amino]-phenyl}-ethanone","1-{3-[(2-Hydroxy-3-methoxy-benzylidene)-amino]-phenyl}-ethanone","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C64 H60 N4 O12 -","4","1","","Zbačnik, Marija; Nogalo, Ivana; Cinčić, Dominik; Kaitner, Branko","Polymorphism control in the mechanochemical and solution-based synthesis of a thermochromic Schiff base","CrystEngComm","2015","17","41","7870","","10.1039/C5CE01445J","","","0.71073","MoKα","","0.1348","0.0382","","","0.071","0.083","","","","","","0.681","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7222084","7.4681","0.0003","13.1048","0.0005","13.9995","0.0005","90","","90","","90","","1370.1","0.09","298","","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1-{3-[(2-Hydroxy-3-methoxy-benzylidene)-amino]-phenyl}-ethanone","1-{3-[(2-Hydroxy-3-methoxy-benzylidene)-amino]-phenyl}-ethanone","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C64 H60 N4 O12 -","4","1","","Zbačnik, Marija; Nogalo, Ivana; Cinčić, Dominik; Kaitner, Branko","Polymorphism control in the mechanochemical and solution-based synthesis of a thermochromic Schiff base","CrystEngComm","2015","17","41","7870","","10.1039/C5CE01445J","","","0.71073","MoKα","","0.0921","0.0705","","","0.2196","0.2302","","","","","","1.038","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7222085","12.8529","0.0005","13.5669","0.0004","14.6676","0.0005","90","","107.713","0.001","90","","2436.4","0.15","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H19 Br N2 O4 S2 -","- C28 H19 Br N2 O4 S2 -","- C112 H76 Br4 N8 O16 S8 -","4","1","","Khorasani, S.; Botes, D. S.; Fernandes, M. A.; Levendis, D. C.","A single-crystal-to-single-crystal Diels‒Alder reaction with mixed topochemical and topotactic behaviour","CrystEngComm","2015","17","46","8933","","10.1039/C5CE01301A","","","0.71073","MoKα","","0.0349","0.0263","","","0.0667","0.0715","","","","","","1.032","","","","has coordinates","173741","2020-10-21","18:00:00",""
"7222086","12.8561","0.0004","13.618","0.0004","14.6351","0.0005","90","","107.906","0.001","90","","2438.12","0.13","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H19.09 Br N2 O4 S2 -","- C28 H19.094 Br N2 O4 S2 -","- C112 H76.376 Br4 N8 O16 S8 -","4","1","","Khorasani, S.; Botes, D. S.; Fernandes, M. A.; Levendis, D. C.","A single-crystal-to-single-crystal Diels‒Alder reaction with mixed topochemical and topotactic behaviour","CrystEngComm","2015","17","46","8933","","10.1039/C5CE01301A","","","0.71073","MoKα","","0.0526","0.0333","","","0.0756","0.0836","","","","","","1.02","","","","has coordinates,has disorder","173741","2020-10-21","18:00:00",""
"7222087","12.865","0.0006","13.6783","0.0006","14.6129","0.0007","90","","108.152","0.002","90","","2443.5","0.2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H19 Br N2 O4 S2 -","- C28 H19 Br N2 O4 S2 -","- C112 H76 Br4 N8 O16 S8 -","4","1","","Khorasani, S.; Botes, D. S.; Fernandes, M. A.; Levendis, D. C.","A single-crystal-to-single-crystal Diels‒Alder reaction with mixed topochemical and topotactic behaviour","CrystEngComm","2015","17","46","8933","","10.1039/C5CE01301A","","","0.71073","MoKα","","0.0554","0.0364","","","0.0906","0.1018","","","","","","1.042","","","","has coordinates,has disorder","173741","2020-10-21","18:00:00",""
"7222088","12.8617","0.0008","13.7077","0.0008","14.5846","0.0009","90","","108.297","0.002","90","","2441.3","0.3","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H19 Br N2 O4 S2 -","- C28 H19 Br N2 O4 S2 -","- C112 H76 Br4 N8 O16 S8 -","4","2","","Khorasani, S.; Botes, D. S.; Fernandes, M. A.; Levendis, D. C.","A single-crystal-to-single-crystal Diels‒Alder reaction with mixed topochemical and topotactic behaviour","CrystEngComm","2015","17","46","8933","","10.1039/C5CE01301A","","","0.71073","MoKα","","0.1057","0.0696","","","0.1632","0.188","","","","","","1.062","","","","has coordinates,has disorder","173741","2020-10-21","18:00:00",""
"7222089","12.8605","0.0014","13.7943","0.0015","14.5372","0.0016","90","","108.642","0.004","90","","2443.6","0.5","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H19 Br N2 O4 S2 -","- C28 H19 Br N2 O4 S2 -","- C112 H76 Br4 N8 O16 S8 -","4","2","","Khorasani, S.; Botes, D. S.; Fernandes, M. A.; Levendis, D. C.","A single-crystal-to-single-crystal Diels‒Alder reaction with mixed topochemical and topotactic behaviour","CrystEngComm","2015","17","46","8933","","10.1039/C5CE01301A","","","0.71073","MoKα","","0.1724","0.1032","","","0.2494","0.2982","","","","","","1.043","","","","has coordinates,has disorder","173741","2020-10-21","18:00:00",""
"7222090","12.905","0.002","14.015","0.002","14.524","0.003","90","","109.18","0.004","90","","2481","0.7","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H19 Br N2 O4 S2 -","- C28 H19 Br N2 O4 S2 -","- C112 H76 Br4 N8 O16 S8 -","4","2","","Khorasani, S.; Botes, D. S.; Fernandes, M. A.; Levendis, D. C.","A single-crystal-to-single-crystal Diels‒Alder reaction with mixed topochemical and topotactic behaviour","CrystEngComm","2015","17","46","8933","","10.1039/C5CE01301A","","","0.71073","MoKα","","0.2358","0.1463","","","0.3412","0.4108","","","","","","1.039","","","","has coordinates,has disorder","173741","2020-10-21","18:00:00",""
"7222091","12.8578","0.0011","14.1427","0.0012","14.4105","0.0013","90","","110.053","0.004","90","","2461.6","0.4","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H19 Br N2 O4 S2 -","- C28 H19 Br N2 O4 S2 -","- C112 H76 Br4 N8 O16 S8 -","4","2","","Khorasani, S.; Botes, D. S.; Fernandes, M. A.; Levendis, D. C.","A single-crystal-to-single-crystal Diels‒Alder reaction with mixed topochemical and topotactic behaviour","CrystEngComm","2015","17","46","8933","","10.1039/C5CE01301A","","","0.71073","MoKα","","0.2224","0.1038","","","0.2351","0.2969","","","","","","1.045","","","","has coordinates,has disorder","173741","2020-10-21","18:00:00",""
"7222092","12.8049","0.001","14.1886","0.0009","14.4999","0.0011","90","","110.453","0.003","90","","2468.3","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H19 Br N2 O4 S2 -","- C28 H19 Br N2 O4 S2 -","- C112 H76 Br4 N8 O16 S8 -","4","1","","Khorasani, S.; Botes, D. S.; Fernandes, M. A.; Levendis, D. C.","A single-crystal-to-single-crystal Diels‒Alder reaction with mixed topochemical and topotactic behaviour","CrystEngComm","2015","17","46","8933","","10.1039/C5CE01301A","","","0.71073","MoKα","","0.1656","0.0781","","","0.1613","0.1988","","","","","","1.016","","","","has coordinates,has disorder","173741","2020-10-21","18:00:00",""
"7222093","12.7386","0.0012","14.1989","0.0011","14.6254","0.0012","90","","110.594","0.004","90","","2476.3","0.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H19 Br N2 O4 S2 -","- C28 H19 Br N2 O4 S2 -","- C112 H76 Br4 N8 O16 S8 -","4","1","","Khorasani, S.; Botes, D. S.; Fernandes, M. A.; Levendis, D. C.","A single-crystal-to-single-crystal Diels‒Alder reaction with mixed topochemical and topotactic behaviour","CrystEngComm","2015","17","46","8933","","10.1039/C5CE01301A","","","0.71073","MoKα","","0.2066","0.1037","","","0.1538","0.1942","","","","","","1.04","","","","has coordinates,has disorder","173741","2020-10-21","18:00:00",""
"7222094","12.6987","0.001","14.2111","0.0011","14.6928","0.0012","90","","110.648","0.003","90","","2481.2","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H19 Br N2 O4 S2 -","- C27.997 H18.995 Br N1.999 O4 S2 -","- C111.988 H75.98 Br4 N7.996 O16 S8 -","4","1","","Khorasani, S.; Botes, D. S.; Fernandes, M. A.; Levendis, D. C.","A single-crystal-to-single-crystal Diels‒Alder reaction with mixed topochemical and topotactic behaviour","CrystEngComm","2015","17","46","8933","","10.1039/C5CE01301A","","","0.71073","MoKα","","0.1621","0.083","","","0.1447","0.1747","","","","","","1.03","","","","has coordinates,has disorder","173741","2020-10-21","18:00:00",""
"7222095","12.668","0.002","14.193","0.003","14.74","0.003","90","","110.608","0.005","90","","2480.6","0.8","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H19 Br N2 O4 S2 -","- C28 H19 Br N2 O4 S2 -","- C112 H76 Br4 N8 O16 S8 -","4","1","","Khorasani, S.; Botes, D. S.; Fernandes, M. A.; Levendis, D. C.","A single-crystal-to-single-crystal Diels‒Alder reaction with mixed topochemical and topotactic behaviour","CrystEngComm","2015","17","46","8933","","10.1039/C5CE01301A","","","0.71073","MoKα","","0.1864","0.0799","","","0.1465","0.1909","","","","","","1.019","","","","has coordinates,has disorder","173741","2020-10-21","18:00:00",""
"7222096","12.683","0.0016","14.2527","0.0017","14.782","0.002","90","","110.713","0.004","90","","2499.4","0.6","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H19 Br N2 O4 S2 -","- C28 H19 Br N2 O4 S2 -","- C112 H76 Br4 N8 O16 S8 -","4","1","","Khorasani, S.; Botes, D. S.; Fernandes, M. A.; Levendis, D. C.","A single-crystal-to-single-crystal Diels‒Alder reaction with mixed topochemical and topotactic behaviour","CrystEngComm","2015","17","46","8933","","10.1039/C5CE01301A","","","0.71073","MoKα","","0.1588","0.0728","","","0.12","0.1482","","","","","","1.027","","","","has coordinates,has disorder","173741","2020-10-21","18:00:00",""
"7222097","8.2573","0.0009","12.5878","0.0013","14.5411","0.0016","110.12","0.006","90.583","0.007","99.971","0.006","1393.8","0.3","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H22 Br Cl2 N2 O4 S2 -","- C29 H22 Br Cl2 N2 O4 S2 -","- C58 H44 Br2 Cl4 N4 O8 S4 -","2","1","","Khorasani, S.; Botes, D. S.; Fernandes, M. A.; Levendis, D. C.","A single-crystal-to-single-crystal Diels‒Alder reaction with mixed topochemical and topotactic behaviour","CrystEngComm","2015","17","46","8933","","10.1039/C5CE01301A","","","0.71073","MoKα","","0.1864","0.1111","","","0.3219","0.3543","","","","","","1.075","","","","has coordinates,has disorder","173741","2020-10-21","18:00:00",""
"7222098","12.7053","0.0008","23.1346","0.0014","8.5162","0.0005","90","","103.246","0.004","90","","2436.6","0.3","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H19 Br N2 O4 S2 -","- C28 H19 Br N2 O4 S2 -","- C112 H76 Br4 N8 O16 S8 -","4","1","","Khorasani, S.; Botes, D. S.; Fernandes, M. A.; Levendis, D. C.","A single-crystal-to-single-crystal Diels‒Alder reaction with mixed topochemical and topotactic behaviour","CrystEngComm","2015","17","46","8933","","10.1039/C5CE01301A","","","0.71073","MoKα","","0.1324","0.0664","","","0.1549","0.1709","","","","","","1.029","","","","has coordinates,has disorder","173741","2020-10-21","18:00:00",""
"7222099","12.6357","0.001","14.2062","0.0011","14.7531","0.0012","90","","110.689","0.004","90","","2477.5","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H19 Br N2 O4 S2 -","- C28 H19 Br N2 O4 S2 -","- C112 H76 Br4 N8 O16 S8 -","4","1","","Khorasani, S.; Botes, D. S.; Fernandes, M. A.; Levendis, D. C.","A single-crystal-to-single-crystal Diels‒Alder reaction with mixed topochemical and topotactic behaviour","CrystEngComm","2015","17","46","8933","","10.1039/C5CE01301A","","","0.71073","MoKα","","0.1502","0.0907","","","0.1432","0.1663","","","","","","1.128","","","","has coordinates,has disorder","173741","2020-10-21","18:00:00",""
"7222107","15.9547","0.0008","15.9547","0.0008","15.9547","0.0008","90","","90","","90","","4061.3","0.4","296","2","296","2","","","","","","","","5","I 21 3","I 2b 2c 3","199","","","","- C21 H34 Dy2 O23 P6 -","- C21 H33.9996 Dy2 O23 P6 -","- C84 H135.998 Dy8 O92 P24 -","4","0.166667","","Tang, Si-Fu; Li, Xuebing","Lanthanide diphosphonates based on a V-shaped ligand: syntheses, structures, experimental and theoretical luminescence properties","CrystEngComm","2015","17","40","7723","","10.1039/C5CE01366F","","","0.71073","MoKα","","0.0298","0.0243","","","0.0473","0.049","","","","","","1.057","","","","has coordinates,has disorder","171092","2020-10-21","18:00:00",""
"7222108","16.0668","0.0009","16.0668","0.0009","16.0668","0.0009","90","","90","","90","","4147.5","0.4","296","2","296","2","","","","","","","","5","I 21 3","I 2b 2c 3","199","","","","- C21 H34 Eu2 O23 P6 -","- C21 H33.9996 Eu2 O23 P6 -","- C84 H135.998 Eu8 O92 P24 -","4","0.166667","","Tang, Si-Fu; Li, Xuebing","Lanthanide diphosphonates based on a V-shaped ligand: syntheses, structures, experimental and theoretical luminescence properties","CrystEngComm","2015","17","40","7723","","10.1039/C5CE01366F","","","0.71073","MoKα","","0.042","0.0351","","","0.0698","0.0731","","","","","","1.007","","","","has coordinates","171092","2020-10-21","18:00:00",""
"7222109","16.0416","0.0009","16.0416","0.0009","16.0416","0.0009","90","","90","","90","","4128","0.4","296","2","296","2","","","","","","","","5","I 21 3","I 2b 2c 3","199","","","","- C21 H34 Gd2 O23 P6 -","- C21 H33.9996 Gd2 O23 P6 -","- C84 H135.998 Gd8 O92 P24 -","4","0.166667","","Tang, Si-Fu; Li, Xuebing","Lanthanide diphosphonates based on a V-shaped ligand: syntheses, structures, experimental and theoretical luminescence properties","CrystEngComm","2015","17","40","7723","","10.1039/C5CE01366F","","","0.71073","MoKα","","0.0374","0.0279","","","0.0559","0.0595","","","","","","1.039","","","","has coordinates","171092","2020-10-21","18:00:00",""
"7222110","16.0134","0.0011","16.0134","0.0011","16.0134","0.0011","90","","90","","90","","4106.3","0.5","297","2","297","2","","","","","","","","5","I 21 3","I 2b 2c 3","199","","","","- C21 H34 O23 P6 Tb2 -","- C21 H33.9996 O23 P6 Tb2 -","- C84 H135.998 O92 P24 Tb8 -","4","0.166667","","Tang, Si-Fu; Li, Xuebing","Lanthanide diphosphonates based on a V-shaped ligand: syntheses, structures, experimental and theoretical luminescence properties","CrystEngComm","2015","17","40","7723","","10.1039/C5CE01366F","","","0.71073","MoKα","","0.0438","0.0348","","","0.0782","0.0868","","","","","","1.103","","","","has coordinates","171092","2020-10-21","18:00:00",""
"7222120","14.7932","0.0012","14.7382","0.0011","10.6919","0.0008","90","","112.289","0.001","90","","2156.9","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H18 Ce N O12 -","- C21 H18 Ce N O12 -","- C84 H72 Ce4 N4 O48 -","4","0.5","","Feng, Xun; Li, Rongfang; Wang, Liya; Ng, Seik Weng; Qin, Guozhan; Ma, Lufang","A series of homonuclear lanthanide coordination polymers based on a fluorescent conjugated ligand: syntheses, luminescence and sensor for pollutant chromate anion","CrystEngComm","2015","17","41","7878","","10.1039/C5CE01454A","","","0.71073","MoKα","","0.0358","0.0308","","","0.0741","0.078","","","","","","1.035","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222121","9.3219","0.0006","10.5274","0.0006","11.1369","0.0007","64.34","0.001","80.881","0.001","82.009","0.001","969.64","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H12 N Nd O9 -","- C21 H12 N Nd O9 -","- C42 H24 N2 Nd2 O18 -","2","1","","Feng, Xun; Li, Rongfang; Wang, Liya; Ng, Seik Weng; Qin, Guozhan; Ma, Lufang","A series of homonuclear lanthanide coordination polymers based on a fluorescent conjugated ligand: syntheses, luminescence and sensor for pollutant chromate anion","CrystEngComm","2015","17","41","7878","","10.1039/C5CE01454A","","","0.71073","MoKα","","0.0396","0.0353","","","0.0941","0.0966","","","","","","1.096","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222122","18.316","0.0014","12.2002","0.0009","9.5032","0.0007","90","","114.086","0.001","90","","1938.7","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H12 Eu N O9 -","- C21 H12 Eu N O9 -","- C84 H48 Eu4 N4 O36 -","4","0.5","","Feng, Xun; Li, Rongfang; Wang, Liya; Ng, Seik Weng; Qin, Guozhan; Ma, Lufang","A series of homonuclear lanthanide coordination polymers based on a fluorescent conjugated ligand: syntheses, luminescence and sensor for pollutant chromate anion","CrystEngComm","2015","17","41","7878","","10.1039/C5CE01454A","","","0.71073","MoKα","","0.032","0.0298","","","0.0854","0.087","","","","","","1.133","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222123","9.4281","0.0006","10.5623","0.0007","11.1893","0.0007","64.0602","0.0009","80.8746","0.0009","82.0709","0.0008","986.36","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H15 N O10.5 Sm -","- C21 H15 N O10.5 Sm -","- C42 H30 N2 O21 Sm2 -","2","1","","Feng, Xun; Li, Rongfang; Wang, Liya; Ng, Seik Weng; Qin, Guozhan; Ma, Lufang","A series of homonuclear lanthanide coordination polymers based on a fluorescent conjugated ligand: syntheses, luminescence and sensor for pollutant chromate anion","CrystEngComm","2015","17","41","7878","","10.1039/C5CE01454A","","","0.71073","MoKα","","0.0267","0.024","","","0.0589","0.0605","","","","","","1.042","","","","has coordinates,has disorder","171037","2020-10-21","18:00:00",""
"7222124","17.72","0.04","12.11","0.02","9.324","0.019","90","","113.41","0.03","90","","1836","6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H7 N O8 Tb -","- C21 H7 N O8 Tb -","- C84 H28 N4 O32 Tb4 -","4","0.5","","Feng, Xun; Li, Rongfang; Wang, Liya; Ng, Seik Weng; Qin, Guozhan; Ma, Lufang","A series of homonuclear lanthanide coordination polymers based on a fluorescent conjugated ligand: syntheses, luminescence and sensor for pollutant chromate anion","CrystEngComm","2015","17","41","7878","","10.1039/C5CE01454A","","","0.71073","MoKα","","0.1249","0.0812","","","0.1582","0.1752","","","","","","1.017","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222125","18.316","0.0014","12.2002","0.0009","9.5032","0.0007","90","","114.086","0.001","90","","1938.7","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H12 Er N O9 -","- C21 H12 Er N O9 -","- C84 H48 Er4 N4 O36 -","4","0.5","","Feng, Xun; Li, Rongfang; Wang, Liya; Ng, Seik Weng; Qin, Guozhan; Ma, Lufang","A series of homonuclear lanthanide coordination polymers based on a fluorescent conjugated ligand: syntheses, luminescence and sensor for pollutant chromate anion","CrystEngComm","2015","17","41","7878","","10.1039/C5CE01454A","","","0.71073","MoKα","","0.0399","0.0374","","","0.1113","0.1135","","","","","","1.108","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222137","14.5012","0.0011","44.132","0.002","50.412","0.002","90","","90","","90","","32262","3","291","2","291","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C16 H10 Eu N O8 -","- C16 H10 Eu N O8 -","- C512 H320 Eu32 N32 O256 -","32","1","","Duan, Jingui; Zou, Changchang; Li, Qianqian; Jin, Wanqin","New luminescent porous coordination polymers with an acylamide-decorated linker for anion recognition and reversible I2accommodation","CrystEngComm","2015","17","43","8226","","10.1039/C5CE01725D","","","0.71073","MoKα","","0.0642","0.0459","","","0.1039","0.1086","","","","","","1.013","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222138","14.4927","0.0011","44.273","0.002","50.103","0.002","90","","90","","90","","32148","3","291","2","291","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C16 H10 N O8 Tb -","- C16 H10 N O8 Tb -","- C512 H320 N32 O256 Tb32 -","32","1","","Duan, Jingui; Zou, Changchang; Li, Qianqian; Jin, Wanqin","New luminescent porous coordination polymers with an acylamide-decorated linker for anion recognition and reversible I2accommodation","CrystEngComm","2015","17","43","8226","","10.1039/C5CE01725D","","","0.71073","MoKα","","0.0561","0.0372","","","0.0878","0.0961","","","","","","1.025","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222139","14.331","0.002","23.7137","0.0015","25.4868","0.0014","86.039","0.002","74.929","0.003","74.441","0.002","8057.1","1.3","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H40 N4 Nd4 O32 -","- C64 H40 N4 Nd4 O32 -","- C128 H80 N8 Nd8 O64 -","2","1","","Duan, Jingui; Zou, Changchang; Li, Qianqian; Jin, Wanqin","New luminescent porous coordination polymers with an acylamide-decorated linker for anion recognition and reversible I2accommodation","CrystEngComm","2015","17","43","8226","","10.1039/C5CE01725D","","","0.71073","MoKα","","0.0619","0.045","","","0.1114","0.1165","","","","","","1.053","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222140","11.7046","0.0009","14.5353","0.0011","28.585","0.002","85.514","0.001","78.994","0.001","66.817","0.001","4388.2","0.6","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H60 B Co2.5 N24 O46 W12 -","- C48 H54 B Co2.5 N24 O45 W12 -","- C96 H108 B2 Co5 N48 O90 W24 -","2","1","","Ma, Yuan-Yuan; Tan, Hua-Qiao; Wang, Yong-Hui; Hao, Xiu-Li; Feng, Xiao-Jia; Zang, Hong-Ying; Li, Yang-Guang","Polyoxometalate-based metal‒organic coordination networks for heterogeneous catalytic desulfurization","CrystEngComm","2015","17","41","7938","","10.1039/C5CE01533B","","","0.71073","MoKα","","0.0555","0.042","","","0.0962","0.1011","","","","","","1.026","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7222141","39.245","0.008","15.242","0.003","23.514","0.005","90","","115.77","0.03","90","","12667","6","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H37 Co N15 O43 P W12 -","- C30 H37 Co N15 O43 P W12 -","- C240 H296 Co8 N120 O344 P8 W96 -","8","1","","Ma, Yuan-Yuan; Tan, Hua-Qiao; Wang, Yong-Hui; Hao, Xiu-Li; Feng, Xiao-Jia; Zang, Hong-Ying; Li, Yang-Guang","Polyoxometalate-based metal‒organic coordination networks for heterogeneous catalytic desulfurization","CrystEngComm","2015","17","41","7938","","10.1039/C5CE01533B","","","0.71073","MoKα","","0.074","0.0459","","","0.0898","0.0986","","","","","","1.022","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222142","51.26","0.004","15.4783","0.001","24.3771","0.0016","90","","103.921","0.002","90","","18773","2","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C120 H128 B2 Cu5 N60 O84 W24 -","- C120 H126 B2 Cu5 N60 O84 W24 -","- C480 H504 B8 Cu20 N240 O336 W96 -","4","0.5","","Ma, Yuan-Yuan; Tan, Hua-Qiao; Wang, Yong-Hui; Hao, Xiu-Li; Feng, Xiao-Jia; Zang, Hong-Ying; Li, Yang-Guang","Polyoxometalate-based metal‒organic coordination networks for heterogeneous catalytic desulfurization","CrystEngComm","2015","17","41","7938","","10.1039/C5CE01533B","","","0.71073","MoKα","","0.1087","0.0866","","","0.1705","0.1822","","","","","","1.024","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222239","12.2101","0.0002","17.3136","0.0003","20.6387","0.0004","90","","92.939","0.002","90","","4357.3","0.13","133","2","133","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C41 H48 Cl2 Fe N10 O8 -","- C41 H48 Cl2 Fe N10 O8 -","- C164 H192 Cl8 Fe4 N40 O32 -","4","2","","Qin, Long-Fang; Pang, Chun-Yan; Han, Wang-Kang; Zhang, Feng-Li; Tian, Lei; Gu, Zhi-Guo; Ren, Xuehong; Li, Zaijun","Optical recognition of alkyl nitrile by a homochiral iron(ii) spin crossover host","CrystEngComm","2015","17","41","7956","","10.1039/C5CE01617G","","","0.71073","MoKα","","0.0296","0.0282","","","0.0722","0.0727","","","","","","1.043","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222240","15.7576","0.0002","21.7812","0.0002","40.7465","0.0006","90","","90","","90","","13985","0.3","133","2","133","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C123 H143 Cl6 Fe3 N29 O24 -","- C123 H143 Cl6 Fe3 N29 O24 -","- C492 H572 Cl24 Fe12 N116 O96 -","4","1","","Qin, Long-Fang; Pang, Chun-Yan; Han, Wang-Kang; Zhang, Feng-Li; Tian, Lei; Gu, Zhi-Guo; Ren, Xuehong; Li, Zaijun","Optical recognition of alkyl nitrile by a homochiral iron(ii) spin crossover host","CrystEngComm","2015","17","41","7956","","10.1039/C5CE01617G","","","0.71073","MoKα","","0.0481","0.0442","","","0.1198","0.1221","","","","","","1.033","","","","has coordinates,has disorder","171041","2020-10-21","18:00:00",""
"7222241","15.9981","0.0002","21.6984","0.0003","40.7994","0.0008","90","","90","","90","","14162.8","0.4","133","2","133","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C120 H140 Cl6 Fe3 N28 O25 -","- C120 H140 Cl6 Fe3 N28 O25 -","- C480 H560 Cl24 Fe12 N112 O100 -","4","1","","Qin, Long-Fang; Pang, Chun-Yan; Han, Wang-Kang; Zhang, Feng-Li; Tian, Lei; Gu, Zhi-Guo; Ren, Xuehong; Li, Zaijun","Optical recognition of alkyl nitrile by a homochiral iron(ii) spin crossover host","CrystEngComm","2015","17","41","7956","","10.1039/C5CE01617G","","","0.71073","MoKα","","0.0665","0.0546","","","0.1311","0.1366","","","","","","1.046","","","","has coordinates,has disorder","171041","2020-10-21","18:00:00",""
"7222242","14.91","0.003","35.478","0.007","7.4293","0.0015","90","","99.21","0.03","90","","3879.3","1.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H42 Cl2 N2 O10 -","- C41 H42 Cl2 N2 O10 -","- C164 H168 Cl8 N8 O40 -","4","1","","Báthori, Nikoletta B.; Kilinkissa, Ornella E. Y.","Are gamma amino acids promising tools of crystal engineering? ‒ Multicomponent crystals of baclofen","CrystEngComm","2015","17","43","8264","","10.1039/C5CE01383F","","","0.71073","MoKα","","0.061","0.043","","","0.0966","0.1068","","","","","","1.029","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222243","6.6251","0.0013","34.49","0.007","8.4698","0.0017","90","","95.75","0.03","90","","1925.6","0.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 Cl N O5 -","- C21 H20 Cl N O5 -","- C84 H80 Cl4 N4 O20 -","4","1","","Báthori, Nikoletta B.; Kilinkissa, Ornella E. Y.","Are gamma amino acids promising tools of crystal engineering? ‒ Multicomponent crystals of baclofen","CrystEngComm","2015","17","43","8264","","10.1039/C5CE01383F","","","0.71073","MoKα","","0.0655","0.0424","","","0.0955","0.1065","","","","","","1.022","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222244","5.7206","0.0011","13.677","0.003","9.6377","0.0019","90","","106.78","0.03","90","","722","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H16 Cl N O6 -","- C14 H16 Cl N O6 -","- C28 H32 Cl2 N2 O12 -","2","1","","Báthori, Nikoletta B.; Kilinkissa, Ornella E. Y.","Are gamma amino acids promising tools of crystal engineering? ‒ Multicomponent crystals of baclofen","CrystEngComm","2015","17","43","8264","","10.1039/C5CE01383F","","","0.71073","MoKα","","0.0369","0.033","","","0.0783","0.0807","","","","","","1.047","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222245","15.035","0.003","7.2113","0.0014","11.025","0.002","90","","106.86","0.03","90","","1144","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H13 Cl N O4 -","- C11 H13 Cl N O4 -","- C44 H52 Cl4 N4 O16 -","4","1","","Báthori, Nikoletta B.; Kilinkissa, Ornella E. Y.","Are gamma amino acids promising tools of crystal engineering? ‒ Multicomponent crystals of baclofen","CrystEngComm","2015","17","43","8264","","10.1039/C5CE01383F","","","0.71073","MoKα","","0.0508","0.0353","","","0.0886","0.0979","","","","","","1.046","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222246","6.1768","0.0012","7.5101","0.0015","19.092","0.004","79.43","0.03","82.9","0.03","84.25","0.03","861.2","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 Cl N O4 -","- C18 H20 Cl N O4 -","- C36 H40 Cl2 N2 O8 -","2","1","","Báthori, Nikoletta B.; Kilinkissa, Ornella E. Y.","Are gamma amino acids promising tools of crystal engineering? ‒ Multicomponent crystals of baclofen","CrystEngComm","2015","17","43","8264","","10.1039/C5CE01383F","","","0.71073","MoKα","","0.0484","0.0385","","","0.0985","0.1045","","","","","","1.044","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222247","5.49","0.0011","13.4","0.003","28.91","0.006","90","","90.9","0.03","90","","2126.5","0.8","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 Cl N O6 S -","- C20 H28 Cl N O6 S -","- C80 H112 Cl4 N4 O24 S4 -","4","1","","Báthori, Nikoletta B.; Kilinkissa, Ornella E. Y.","Are gamma amino acids promising tools of crystal engineering? ‒ Multicomponent crystals of baclofen","CrystEngComm","2015","17","43","8264","","10.1039/C5CE01383F","","","0.71073","MoKα","","0.1152","0.068","","","0.1291","0.1444","","","","","","1.059","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222248","11.8675","0.0004","15.6072","0.0004","12.2828","0.0004","90","","112.86","0.001","90","","2096.32","0.11","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(1,4-bis(2?-bis(2?-(9-Hyrdoxy-9-fluorenyl)ethynyl)benzene).2(2,3-Luditine)","","","- C58 H44 N2 O2 -","- C58 H44 N2 O2 -","- C116 H88 N4 O4 -","2","0.5","","Samipillai, Marivel; Batisai, Eustina; Nassimbeni, Luigi R.; Weber, Edwin","Separation of lutidines by enclathration","CrystEngComm","2015","17","43","8332","","10.1039/C5CE01637A","","","0.71073","MoKα","","0.0818","0.0448","","","0.103","0.1192","","","","","","1.021","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222249","11.8056","0.0014","15.6491","0.0019","12.2647","0.0015","90","","111.724","0.002","90","","2104.9","0.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C58 H44 N2 O2 -","- C58 H44 N2 O2 -","- C116 H88 N4 O4 -","2","0.5","","Samipillai, Marivel; Batisai, Eustina; Nassimbeni, Luigi R.; Weber, Edwin","Separation of lutidines by enclathration","CrystEngComm","2015","17","43","8332","","10.1039/C5CE01637A","","","0.71073","MoKα","","0.1381","0.0706","","","0.1391","0.1653","","","","","","1.031","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222250","9.78","0.002","11.388","0.002","11.566","0.002","115.12","0.03","101.58","0.03","104.11","0.03","1061.1","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","(1,4-bis(2?-bis(2?-(9-Hyrdoxy-9-fluorenyl)ethynyl)benzene).2(3,4-Lutidine)","","","- C58 H44 N2 O2 -","- C58 H44 N2 O2 -","- C58 H44 N2 O2 -","1","0.5","","Samipillai, Marivel; Batisai, Eustina; Nassimbeni, Luigi R.; Weber, Edwin","Separation of lutidines by enclathration","CrystEngComm","2015","17","43","8332","","10.1039/C5CE01637A","","","0.71073","MoKα","","0.0842","0.0503","","","0.1284","0.1481","","","","","","1.04","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222251","8.87","0.002","10.41","0.003","16.836","0.005","76.16","0.005","88.162","0.006","76.165","0.006","1465.1","0.7","173","2","173","2","","","","","","","","4","P -1","-P 1","2","(9-10-bis(2?-(9-Hyrdoxy-9-fluorenyl)ethynyl)anthracene).2(2,3-Lutidine)","","","- C74 H76 N2 O2 -","- C74 H76 N2 O2 -","- C74 H76 N2 O2 -","1","0.5","","Samipillai, Marivel; Batisai, Eustina; Nassimbeni, Luigi R.; Weber, Edwin","Separation of lutidines by enclathration","CrystEngComm","2015","17","43","8332","","10.1039/C5CE01637A","","","0.71073","MoKα","","0.1439","0.0606","","","0.1323","0.1683","","","","","","0.966","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222252","8.815","0.0018","10.541","0.002","16.794","0.003","75.3","0.03","88.23","0.03","76.92","0.03","1469.7","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","C60 H58 O2, 0.72(C7 H9 N), 1.28(C6 H5 N), 1.28(C H3)","","","- C74 H74.72 N2 O2 -","- C74 H74.72 N2 O2 -","- C74 H74.72 N2 O2 -","1","0.5","","Samipillai, Marivel; Batisai, Eustina; Nassimbeni, Luigi R.; Weber, Edwin","Separation of lutidines by enclathration","CrystEngComm","2015","17","43","8332","","10.1039/C5CE01637A","","","0.71073","MoKα","","0.1522","0.0739","","","0.1854","0.2235","","","","","","1.028","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222253","10.964","0.002","14.24","0.003","20.271","0.004","109.78","0.03","97.99","0.03","95","0.03","2918.5","1.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C141 H125 N3 O4 -","- C141 H125 N3 O4 -","- C141 H125 N3 O4 -","1","0.5","","Samipillai, Marivel; Batisai, Eustina; Nassimbeni, Luigi R.; Weber, Edwin","Separation of lutidines by enclathration","CrystEngComm","2015","17","43","8332","","10.1039/C5CE01637A","","","0.71073","MoKα","","0.1163","0.0702","","","0.1942","0.2256","","","","","","1.029","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222254","7.745","0.0004","10.1392","0.0004","12.8039","0.0006","87.03","0.002","74.328","0.002","74.741","0.002","933.76","0.08","173","2","173","2","","","","","","","","4","P -1","-P 1","2","(1,4-bis(2?-bis(2?-(9-Hyrdoxy-9-fluorenyl)ethynyl)benzene).2(2,3-Lutidine)","","","- C50 H40 N2 O2 -","- C50 H40 N2 O2 -","- C50 H40 N2 O2 -","1","0.5","","Samipillai, Marivel; Batisai, Eustina; Nassimbeni, Luigi R.; Weber, Edwin","Separation of lutidines by enclathration","CrystEngComm","2015","17","43","8332","","10.1039/C5CE01637A","","","0.71073","MoKα","","0.0683","0.0425","","","0.1027","0.1151","","","","","","1.037","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222255","7.6847","0.0003","10.8142","0.0005","12.3664","0.0005","77.867","0.002","77.131","0.002","70.639","0.002","934.78","0.07","173","2","173","2","","","","","","","","4","P -1","-P 1","2","1,4-bis(2?-bis(2?-(9-Hyrdoxy-9-fluorenyl)ethynyl)benzene.2(3,4-Lutidine)","","","- C50 H40 N2 O2 -","- C50 H40 N2 O2 -","- C50 H40 N2 O2 -","1","0.5","","Samipillai, Marivel; Batisai, Eustina; Nassimbeni, Luigi R.; Weber, Edwin","Separation of lutidines by enclathration","CrystEngComm","2015","17","43","8332","","10.1039/C5CE01637A","","","0.71073","MoKα","","0.0623","0.0407","","","0.0974","0.1075","","","","","","1.023","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222263","18.134","0.002","13.8355","0.0016","9.3325","0.001","90","","90","","90","","2341.5","0.5","296","2","296","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C20 H20 Co F4 N4 O5 -","- C20 H20 Co F4 N4 O5 -","- C80 H80 Co4 F16 N16 O20 -","4","0.5","","Li, Xiu-Yuan; Liu, Meng; Yue, Ke-Fen; Wu, Ya-Pan; He, Tian; Yan, Ni; Wang, Yao-Yu","A series of reaction-controlled coordination polymers constructed from bis(imidazole) and tetrafluoroterephthalic acid ligands: syntheses, structural diversities, properties","CrystEngComm","2015","17","43","8273","","10.1039/C5CE01423A","","","0.71073","MoKα","","0.068","0.0382","","","0.0714","0.0811","","","","","","1.009","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222264","20.28","0.003","7.5025","0.0012","20.478","0.003","90","","99.022","0.003","90","","3077.2","0.8","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H18 Cd2 F8 N4 O8 -","- C28 H18 Cd2 F8 N4 O8 -","- C112 H72 Cd8 F32 N16 O32 -","4","1","","Li, Xiu-Yuan; Liu, Meng; Yue, Ke-Fen; Wu, Ya-Pan; He, Tian; Yan, Ni; Wang, Yao-Yu","A series of reaction-controlled coordination polymers constructed from bis(imidazole) and tetrafluoroterephthalic acid ligands: syntheses, structural diversities, properties","CrystEngComm","2015","17","43","8273","","10.1039/C5CE01423A","","","0.71073","MoKα","","0.0967","0.0841","","","0.2181","0.2236","","","","","","1.1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222265","10.102","0.0018","9.3434","0.0017","11.929","0.002","90","","91.259","0.003","90","","1125.7","0.3","296","2","296","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C20 H18 F4 N4 Ni O4 -","- C20 H18 F4 N4 Ni O4 -","- C40 H36 F8 N8 Ni2 O8 -","2","0.5","","Li, Xiu-Yuan; Liu, Meng; Yue, Ke-Fen; Wu, Ya-Pan; He, Tian; Yan, Ni; Wang, Yao-Yu","A series of reaction-controlled coordination polymers constructed from bis(imidazole) and tetrafluoroterephthalic acid ligands: syntheses, structural diversities, properties","CrystEngComm","2015","17","43","8273","","10.1039/C5CE01423A","","","0.71073","MoKα","","0.0604","0.0541","","","0.156","0.1607","","","","","","1.073","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222266","9.437","0.002","11.304","0.004","11.371","0.003","116.906","0.005","113.912","0.004","92.898","0.006","947.3","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H34 Co F8 N4 O12 -","- C32 H34 Co F8 N4 O12 -","- C32 H34 Co F8 N4 O12 -","1","0.5","","Li, Xiu-Yuan; Liu, Meng; Yue, Ke-Fen; Wu, Ya-Pan; He, Tian; Yan, Ni; Wang, Yao-Yu","A series of reaction-controlled coordination polymers constructed from bis(imidazole) and tetrafluoroterephthalic acid ligands: syntheses, structural diversities, properties","CrystEngComm","2015","17","43","8273","","10.1039/C5CE01423A","","","0.71073","MoKα","","0.0911","0.076","","","0.1932","0.2182","","","","","","1.108","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222267","9.2303","0.0013","11.4497","0.0015","11.7396","0.0015","119.054","0.002","90.297","0.002","111.767","0.002","980.7","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H34 Cd F8 N4 O12 -","- C32 H34 Cd F8 N4 O12 -","- C32 H34 Cd F8 N4 O12 -","1","0.5","","Li, Xiu-Yuan; Liu, Meng; Yue, Ke-Fen; Wu, Ya-Pan; He, Tian; Yan, Ni; Wang, Yao-Yu","A series of reaction-controlled coordination polymers constructed from bis(imidazole) and tetrafluoroterephthalic acid ligands: syntheses, structural diversities, properties","CrystEngComm","2015","17","43","8273","","10.1039/C5CE01423A","","","0.71073","MoKα","","0.061","0.0522","","","0.1316","0.1411","","","","","","0.885","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222268","8.908","0.004","12.428","0.005","32.131","0.013","93.525","0.007","95.154","0.007","92.39","0.007","3532","3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H66 Cd3 F12 N12 O15 -","- C63 H66 Cd3 F12 N12 O15 -","- C126 H132 Cd6 F24 N24 O30 -","2","1","","Li, Xiu-Yuan; Liu, Meng; Yue, Ke-Fen; Wu, Ya-Pan; He, Tian; Yan, Ni; Wang, Yao-Yu","A series of reaction-controlled coordination polymers constructed from bis(imidazole) and tetrafluoroterephthalic acid ligands: syntheses, structural diversities, properties","CrystEngComm","2015","17","43","8273","","10.1039/C5CE01423A","","","0.71073","MoKα","","0.0842","0.0545","","","0.1275","0.1544","","","","","","1.011","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222269","11.045","0.002","16.273","0.003","14.238","0.003","90","","111.342","0.003","90","","2383.6","0.8","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 Cd F4 N4 O5 -","- C21 H22 Cd F4 N4 O5 -","- C84 H88 Cd4 F16 N16 O20 -","4","1","","Li, Xiu-Yuan; Liu, Meng; Yue, Ke-Fen; Wu, Ya-Pan; He, Tian; Yan, Ni; Wang, Yao-Yu","A series of reaction-controlled coordination polymers constructed from bis(imidazole) and tetrafluoroterephthalic acid ligands: syntheses, structural diversities, properties","CrystEngComm","2015","17","43","8273","","10.1039/C5CE01423A","","","0.71073","MoKα","","0.1287","0.0747","","","0.1684","0.1967","","","","","","1.025","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222270","5.678","0.001","5.6456","0.0007","32.491","0.012","90","","93.09","0.02","90","","1040","0.4","120","2","120","2","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 N2 -","- C28 H20 N2 -","- C56 H40 N4 -","2","0.5","","Kaleta, Jiří; Michl, Josef; Mézière, Cécile; Simonov, Sergey; Zorina, Leokadiya; Wzietek, Pawel; Rodríguez-Fortea, Antonio; Canadell, Enric; Batail, Patrick","Gearing motion in cogwheel pairs of molecular rotors: weak-coupling limit","CrystEngComm","2015","17","41","7829","","10.1039/C5CE01372K","","","0.71073","MoKα","","0.1305","0.0954","","","0.2314","0.2598","","","","","","1.02","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222271","5.7123","0.0019","5.7076","0.0017","33.016","0.018","90","","93.68","0.05","90","","1074.2","0.8","293","2","293","2","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 N2 -","- C28 H20 N2 -","- C56 H40 N4 -","2","0.5","","Kaleta, Jiří; Michl, Josef; Mézière, Cécile; Simonov, Sergey; Zorina, Leokadiya; Wzietek, Pawel; Rodríguez-Fortea, Antonio; Canadell, Enric; Batail, Patrick","Gearing motion in cogwheel pairs of molecular rotors: weak-coupling limit","CrystEngComm","2015","17","41","7829","","10.1039/C5CE01372K","","","0.71073","MoKα","","0.2607","0.0769","","","0.1598","0.2016","","","","","","0.861","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222284","27.0118","0.0002","27.0118","0.0002","25.0254","0.0003","90","","90","","120","","15813.2","0.3","298","2","298","2","","","","","","","Synthesized","5","P 64 2 2","P 64 2 (0 0 2)","181","","","","- C60 H130 Cu3 N6 O32 -","- C60 H90 Cu3 N6 O32 -","- C360 H540 Cu18 N36 O192 -","6","0.5","","Dubey, Mrigendra; Kumar, Ashish; Dhavale, Vishal M.; Kurungot, Sreekumar; Pandey, Daya Shankar","Can enantiomer ligands produce structurally distinct homochiral MOFs?","CrystEngComm","2015","17","43","8202","","10.1039/C5CE01180A","","","1.54184","CuKα","","0.084","0.0829","","","0.233","0.235","","","","","","1.285","","","","has coordinates,has disorder","171055","2020-10-21","18:00:00",""
"7222285","21.5599","0.0003","21.5599","0.0003","12.8974","0.0003","90","","90","","90","","5995.09","0.18","293","2","293","2","","","","","","","Synthesized","5","P 4 21 2","P 4ab 2ab","90","","","","- C44 H82 Cu3 N4 O18.25 -","- C44 H66 Cu3 N4 O18.19 -","- C176 H264 Cu12 N16 O72.76 -","4","0.5","","Dubey, Mrigendra; Kumar, Ashish; Dhavale, Vishal M.; Kurungot, Sreekumar; Pandey, Daya Shankar","Can enantiomer ligands produce structurally distinct homochiral MOFs?","CrystEngComm","2015","17","43","8202","","10.1039/C5CE01180A","","","0.71073","MoKα","","0.133","0.0566","","","0.1169","0.1432","","","","","","0.94","","","","has coordinates,has disorder","171055","2020-10-21","18:00:00",""
"7222296","9.3177","0.0004","9.3177","0.0004","9.3177","0.0004","90","","90","","90","","808.96","0.06","298","","298","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","silver molybdate","disilver dioxido(dioxo)molybdenum","","- Ag2 Mo O4 -","- Ag2 Mo O4 -","- Ag16 Mo8 O32 -","8","0.0416667","","Cunha, F. S.; Sczancoski, J. C.; Nogueira, I. C.; de Oliveira, V. G.; Lustosa, S. M. C.; Longo, E.; Cavalcante, L. S.","Structural, morphological and optical investigation of β-Ag2MoO4 microcrystals obtained with different polar solvents","CrystEngComm","2015","17","43","8207","","10.1039/C5CE01662B","powder diffraction","x-ray","1.5405","CuKα","","0.0854","0.0922","","","0.1273","","0.04395","","1.38","","","1.38","","","","has coordinates","265250","2021-05-15","21:31:22",""
"7222297","24.11298","","16.94684","","19.73992","","90","","90","","90","","8066.5","","","","","","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C250.33 H239.03 Co24 N125.16 O93.65 -","- C250.304 H319 Co24 N125.152 O13.648 -","- C250.304 H319 Co24 N125.152 O13.648 -","1","0.0625","","Zhang, Jingcheng; Zhang, Tianci; Yu, Dongbo; Xiao, Kesong; Hong, Yu","Transition from ZIF-L-Co to ZIF-67: a new insight into the structural evolution of zeolitic imidazolate frameworks (ZIFs) in aqueous systems","CrystEngComm","2015","17","43","8212","","10.1039/C5CE01531F","","","","","","","","","","","","","","","","","","","","","has coordinates","209362","2020-10-21","18:00:00",""
"7222315","8.2775","0.0008","14.9469","0.0015","20.733","0.002","90","","98.852","0.002","90","","2534.6","0.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 N4 Nd O9 S -","- C24 H17 N4 Nd O9 S -","- C96 H68 N16 Nd4 O36 S4 -","4","1","","An, Ran; Wang, Xiaofang; Hu, Huai-Ming; Zhao, Zhui; Bai, Chao; Xue, Ganglin","Controllable synthesis of four series of lanthanide coordination polymers: synthesis, structures, luminescent and magnetic properties","CrystEngComm","2015","17","43","8289","","10.1039/C5CE01675D","","","0.71073","MoKα","","0.0455","0.0388","","","0.1005","0.1044","","","","","","1.059","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222316","8.2415","0.0008","14.9167","0.0015","20.773","0.002","90","","98.86","0.002","90","","2523.3","0.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 N4 O9 S Sm -","- C24 H17 N4 O9 S Sm -","- C96 H68 N16 O36 S4 Sm4 -","4","1","","An, Ran; Wang, Xiaofang; Hu, Huai-Ming; Zhao, Zhui; Bai, Chao; Xue, Ganglin","Controllable synthesis of four series of lanthanide coordination polymers: synthesis, structures, luminescent and magnetic properties","CrystEngComm","2015","17","43","8289","","10.1039/C5CE01675D","","","0.71073","MoKα","","0.0337","0.0267","","","0.0604","0.0636","","","","","","1.023","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222317","8.2038","0.0009","14.8931","0.0017","20.772","0.002","90","","98.813","0.002","90","","2508","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 Gd N4 O9 S -","- C24 H17 Gd N4 O9 S -","- C96 H68 Gd4 N16 O36 S4 -","4","1","","An, Ran; Wang, Xiaofang; Hu, Huai-Ming; Zhao, Zhui; Bai, Chao; Xue, Ganglin","Controllable synthesis of four series of lanthanide coordination polymers: synthesis, structures, luminescent and magnetic properties","CrystEngComm","2015","17","43","8289","","10.1039/C5CE01675D","","","0.71073","MoKα","","0.04","0.0283","","","0.0608","0.0654","","","","","","1.01","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222318","30.013","0.003","35.346","0.006","8.669","0.0009","90","","90","","90","","9196","2","296","2","296","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C24 H17 N4 O7 S Yb -","- C24 H17 N4 O7 S Yb -","- C384 H272 N64 O112 S16 Yb16 -","16","1","","An, Ran; Wang, Xiaofang; Hu, Huai-Ming; Zhao, Zhui; Bai, Chao; Xue, Ganglin","Controllable synthesis of four series of lanthanide coordination polymers: synthesis, structures, luminescent and magnetic properties","CrystEngComm","2015","17","43","8289","","10.1039/C5CE01675D","","","0.71073","MoKα","","0.0254","0.0223","","","0.042","0.0432","","","","","","0.949","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222319","9.07","0.0011","9.0825","0.0011","14.4882","0.0017","95.756","0.002","91.454","0.002","99.401","0.002","1170.5","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H19 N4 O8 Pr S -","- C24 H19 N4 O8 Pr S -","- C48 H38 N8 O16 Pr2 S2 -","2","1","","An, Ran; Wang, Xiaofang; Hu, Huai-Ming; Zhao, Zhui; Bai, Chao; Xue, Ganglin","Controllable synthesis of four series of lanthanide coordination polymers: synthesis, structures, luminescent and magnetic properties","CrystEngComm","2015","17","43","8289","","10.1039/C5CE01675D","","","0.71073","MoKα","","0.0317","0.0276","","","0.0596","0.0623","","","","","","1.048","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222320","9.0064","0.0009","9.0831","0.001","14.4399","0.0014","95.147","0.002","91.28","0.002","99.076","0.001","1161","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H19 N4 O8 S Sm -","- C24 H19 N4 O8 S Sm -","- C48 H38 N8 O16 S2 Sm2 -","2","1","","An, Ran; Wang, Xiaofang; Hu, Huai-Ming; Zhao, Zhui; Bai, Chao; Xue, Ganglin","Controllable synthesis of four series of lanthanide coordination polymers: synthesis, structures, luminescent and magnetic properties","CrystEngComm","2015","17","43","8289","","10.1039/C5CE01675D","","","0.71073","MoKα","","0.0265","0.0241","","","0.0552","0.057","","","","","","1.059","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222321","8.9637","0.0011","9.0728","0.001","14.4541","0.0017","94.827","0.002","91.126","0.002","98.795","0.002","1156.9","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H19 Gd N4 O8 S -","- C24 H19 Gd N4 O8 S -","- C48 H38 Gd2 N8 O16 S2 -","2","1","","An, Ran; Wang, Xiaofang; Hu, Huai-Ming; Zhao, Zhui; Bai, Chao; Xue, Ganglin","Controllable synthesis of four series of lanthanide coordination polymers: synthesis, structures, luminescent and magnetic properties","CrystEngComm","2015","17","43","8289","","10.1039/C5CE01675D","","","0.71073","MoKα","","0.0282","0.0246","","","0.0522","0.0543","","","","","","1.049","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222322","8.9094","0.0014","9.0407","0.0014","14.458","0.002","94.501","0.002","91.024","0.003","98.578","0.003","1147.5","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H19 Dy N4 O8 S -","- C24 H19 Dy N4 O8 S -","- C48 H38 Dy2 N8 O16 S2 -","2","1","","An, Ran; Wang, Xiaofang; Hu, Huai-Ming; Zhao, Zhui; Bai, Chao; Xue, Ganglin","Controllable synthesis of four series of lanthanide coordination polymers: synthesis, structures, luminescent and magnetic properties","CrystEngComm","2015","17","43","8289","","10.1039/C5CE01675D","","","0.71073","MoKα","","0.0449","0.0354","","","0.0678","0.0721","","","","","","0.993","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222323","8.895","0.0014","9.0742","0.0014","14.465","0.002","94.25","0.002","91.157","0.003","97.971","0.002","1152.5","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H19 Ho N4 O8 S -","- C24 H19 Ho N4 O8 S -","- C48 H38 Ho2 N8 O16 S2 -","2","1","","An, Ran; Wang, Xiaofang; Hu, Huai-Ming; Zhao, Zhui; Bai, Chao; Xue, Ganglin","Controllable synthesis of four series of lanthanide coordination polymers: synthesis, structures, luminescent and magnetic properties","CrystEngComm","2015","17","43","8289","","10.1039/C5CE01675D","","","0.71073","MoKα","","0.0444","0.0361","","","0.0692","0.0725","","","","","","1.001","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222324","8.872","0.007","9.023","0.008","14.475","0.012","94.059","0.016","91.016","0.014","98.053","0.016","1144","1.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H19 Er N4 O8 S -","- C24 H17 Er N4 O8 S -","- C48 H34 Er2 N8 O16 S2 -","2","1","","An, Ran; Wang, Xiaofang; Hu, Huai-Ming; Zhao, Zhui; Bai, Chao; Xue, Ganglin","Controllable synthesis of four series of lanthanide coordination polymers: synthesis, structures, luminescent and magnetic properties","CrystEngComm","2015","17","43","8289","","10.1039/C5CE01675D","","","0.71073","MoKα","","0.18","0.0987","","","0.1945","0.236","","","","","","0.958","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222325","8.8933","0.0019","9.0472","0.0019","14.467","0.003","94.285","0.004","90.906","0.004","98.511","0.004","1147.5","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H19 N4 O8 S Y -","- C24 H19 N4 O8 S Y -","- C48 H38 N8 O16 S2 Y2 -","2","1","","An, Ran; Wang, Xiaofang; Hu, Huai-Ming; Zhao, Zhui; Bai, Chao; Xue, Ganglin","Controllable synthesis of four series of lanthanide coordination polymers: synthesis, structures, luminescent and magnetic properties","CrystEngComm","2015","17","43","8289","","10.1039/C5CE01675D","","","0.71073","MoKα","","0.0736","0.05","","","0.1063","0.1189","","","","","","1.051","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222326","13.6008","0.0012","13.5013","0.0012","13.133","0.0012","90","","96.231","0.001","90","","2397.3","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 N4 O8 Pr S -","- C24 H19 N4 O8 Pr S -","- C96 H76 N16 O32 Pr4 S4 -","4","1","","An, Ran; Wang, Xiaofang; Hu, Huai-Ming; Zhao, Zhui; Bai, Chao; Xue, Ganglin","Controllable synthesis of four series of lanthanide coordination polymers: synthesis, structures, luminescent and magnetic properties","CrystEngComm","2015","17","43","8289","","10.1039/C5CE01675D","","","0.71073","MoKα","","0.0274","0.0216","","","0.0456","0.0475","","","","","","1.048","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222327","17.9503","0.0015","11.2846","0.0006","9.2574","0.0005","90","","119.709","0.007","90","","1628.7","0.2","223","2","223","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C36 H28 N6 O6 Zn -","- C36 H28 N6 O6 Zn -","- C72 H56 N12 O12 Zn2 -","2","0.25","","Dai, Ming; Gu, Tian-Yi; Zhao, Xin; Li, Hong-Xi; Lang, Jian-Ping","Formation of Zn(ii) and Pb(ii) coordination polymers of tetrakis(4-pyridyl)cyclobutane controlled by benzene and toluene","CrystEngComm","2015","17","43","8345","","10.1039/C5CE01473E","","","0.71073","MoKα","","0.087","0.0656","","","0.1461","0.1567","","","","","","1.045","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222328","9.4863","0.0009","9.8132","0.0009","11.1496","0.0011","68.615","0.009","89.254","0.008","63.457","0.01","850.48","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H36 N6 O6 Zn -","- C38 H36 N6 O6 Zn -","- C38 H36 N6 O6 Zn -","1","0.5","","Dai, Ming; Gu, Tian-Yi; Zhao, Xin; Li, Hong-Xi; Lang, Jian-Ping","Formation of Zn(ii) and Pb(ii) coordination polymers of tetrakis(4-pyridyl)cyclobutane controlled by benzene and toluene","CrystEngComm","2015","17","43","8345","","10.1039/C5CE01473E","","","0.71073","MoKα","","0.0617","0.0516","","","0.1267","0.1334","","","","","","0.921","","","","has coordinates","171054","2020-10-21","18:00:00",""
"7222329","9.3515","0.0006","26.1628","0.0012","10.141","0.0006","90","","113.673","0.007","90","","2272.3","0.3","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 N4 O7 Pb -","- C19 H19 N4 O7 Pb -","- C76 H76 N16 O28 Pb4 -","4","1","","Dai, Ming; Gu, Tian-Yi; Zhao, Xin; Li, Hong-Xi; Lang, Jian-Ping","Formation of Zn(ii) and Pb(ii) coordination polymers of tetrakis(4-pyridyl)cyclobutane controlled by benzene and toluene","CrystEngComm","2015","17","43","8345","","10.1039/C5CE01473E","","","0.71073","MoKα","","0.0662","0.0505","","","0.1198","0.1316","","","","","","0.974","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222330","12.7971","0.0009","11.8723","0.001","20.1498","0.0017","90","","121.569","0.006","90","","2608.3","0.4","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 N6 O7 Pb -","- C25 H23 N6 O7 Pb -","- C100 H92 N24 O28 Pb4 -","4","1","","Dai, Ming; Gu, Tian-Yi; Zhao, Xin; Li, Hong-Xi; Lang, Jian-Ping","Formation of Zn(ii) and Pb(ii) coordination polymers of tetrakis(4-pyridyl)cyclobutane controlled by benzene and toluene","CrystEngComm","2015","17","43","8345","","10.1039/C5CE01473E","","","0.71073","MoKα","","0.0795","0.054","","","0.1161","0.1294","","","","","","0.929","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222331","12.0677","0.0004","18.149","0.0004","12.1215","0.0004","90","","110.818","0.004","90","","2481.49","0.14","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 N6 O7 Pb -","- C24 H21.38 N6 O7 Pb -","- C96 H85.52 N24 O28 Pb4 -","4","1","","Dai, Ming; Gu, Tian-Yi; Zhao, Xin; Li, Hong-Xi; Lang, Jian-Ping","Formation of Zn(ii) and Pb(ii) coordination polymers of tetrakis(4-pyridyl)cyclobutane controlled by benzene and toluene","CrystEngComm","2015","17","43","8345","","10.1039/C5CE01473E","","","0.71073","MoKα","","0.0347","0.0269","","","0.0634","0.066","","","","","","1.01","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222347","8.9739","0.0007","9.4407","0.0006","11.7436","0.0008","92.162","0.005","96.638","0.006","104.282","0.006","955.43","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","work","","","- C34 H40 Ag2 B2 F8 N8 -","- C34 H40 Ag2 B2 F8 N8 -","- C34 H40 Ag2 B2 F8 N8 -","1","0.5","","Alen, Jo; Van Meervelt, Luc; Dehaen, Wim; Dobrzańska, Liliana","Solvent diffusion through a non-porous crystal ‘caught in the act’ and related single-crystal-to-single-crystal transformations in a cationic dinuclear Ag(i) complex","CrystEngComm","2015","17","46","8957","","10.1039/C5CE01348H","","","0.71073","MoKα","","0.0587","0.05","","","0.1235","0.1294","","","","","","1.092","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222348","8.7304","0.0007","9.6666","0.0009","13.3193","0.001","96.972","0.007","100.487","0.006","104.709","0.007","1052.33","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","work","","","- C38 H46 Ag2 B2 F8 N10 -","- C38 H46 Ag2 B2 F8 N10 -","- C38 H46 Ag2 B2 F8 N10 -","1","0.5","","Alen, Jo; Van Meervelt, Luc; Dehaen, Wim; Dobrzańska, Liliana","Solvent diffusion through a non-porous crystal ‘caught in the act’ and related single-crystal-to-single-crystal transformations in a cationic dinuclear Ag(i) complex","CrystEngComm","2015","17","46","8957","","10.1039/C5CE01348H","","","0.71073","MoKα","","0.0767","0.0575","","","0.1416","0.1574","","","","","","1.082","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222349","10.1464","0.0011","14.2825","0.0014","15.3309","0.0017","111.046","0.01","97.101","0.009","101.812","0.009","1981.8","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","work","","","- C36 H43 Ag2 B2 F8 N9 -","- C36 H43 Ag2 B2 F8 N9 -","- C72 H86 Ag4 B4 F16 N18 -","2","1","","Alen, Jo; Van Meervelt, Luc; Dehaen, Wim; Dobrzańska, Liliana","Solvent diffusion through a non-porous crystal ‘caught in the act’ and related single-crystal-to-single-crystal transformations in a cationic dinuclear Ag(i) complex","CrystEngComm","2015","17","46","8957","","10.1039/C5CE01348H","","","0.71073","MoKα","","0.1015","0.0575","","","0.1281","0.1592","","","","","","1.02","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222350","10.037","0.0005","14.3332","0.0006","15.4185","0.0008","111.125","0.004","97.059","0.004","100.307","0.004","1992.81","0.18","100","2","100","2","","","","","","","","7","P -1","-P 1","2","work","","","- C37 H46 Ag2 B2 F8 N8 O -","- C37 H46 Ag2 B2 F8 N8 O -","- C74 H92 Ag4 B4 F16 N16 O2 -","2","1","","Alen, Jo; Van Meervelt, Luc; Dehaen, Wim; Dobrzańska, Liliana","Solvent diffusion through a non-porous crystal ‘caught in the act’ and related single-crystal-to-single-crystal transformations in a cationic dinuclear Ag(i) complex","CrystEngComm","2015","17","46","8957","","10.1039/C5CE01348H","","","0.71073","MoKα","","0.0745","0.0504","","","0.1197","0.1386","","","","","","1.069","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222351","9.8865","0.0005","14.2717","0.0008","15.4908","0.0008","109.722","0.005","96.569","0.004","101.58","0.004","1975.9","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","work","","","- C36 H46 Ag2 B2 F8 N8 O -","- C36 H46 Ag2 B2 F8 N8 O -","- C72 H92 Ag4 B4 F16 N16 O2 -","2","1","","Alen, Jo; Van Meervelt, Luc; Dehaen, Wim; Dobrzańska, Liliana","Solvent diffusion through a non-porous crystal ‘caught in the act’ and related single-crystal-to-single-crystal transformations in a cationic dinuclear Ag(i) complex","CrystEngComm","2015","17","46","8957","","10.1039/C5CE01348H","","","0.71073","MoKα","","0.0882","0.0662","","","0.1768","0.1919","","","","","","1.092","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222352","8.907","0.0004","9.6544","0.0004","12.2203","0.0005","92.845","0.002","103.284","0.002","101.842","0.002","995.78","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","work","","","- C34 H40 Ag2 F12 N8 Sb2 -","- C34 H40 Ag2 F12 N8 Sb2 -","- C34 H40 Ag2 F12 N8 Sb2 -","1","0.5","","Alen, Jo; Van Meervelt, Luc; Dehaen, Wim; Dobrzańska, Liliana","Solvent diffusion through a non-porous crystal ‘caught in the act’ and related single-crystal-to-single-crystal transformations in a cationic dinuclear Ag(i) complex","CrystEngComm","2015","17","46","8957","","10.1039/C5CE01348H","","","1.54178","CuKα","","0.0471","0.0388","","","0.0895","0.0931","","","","","","1.061","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222366","22.92","0.01","23.62","0.01","36.17","0.02","90","","90","","90","","19581","16","100","2","100","2","","","","","","","","4","P c a n","-P 2n 2c","60","","","","- C94.8 H137.2 N O23.8 -","- C86 H124 N O15 -","- C688 H992 N8 O120 -","8","1","","Brancatelli, Giovanna; Gattuso, Giuseppe; Geremia, Silvano; Manganaro, Nadia; Notti, Anna; Pappalardo, Sebastiano; Parisi, Melchiorre F.; Pisagatti, Ilenia","α,ω-Alkanediyldiammonium dications sealed within calix[5]arene capsules with a hydrophobic bayonet-mount fastening","CrystEngComm","2015","17","41","7915","","10.1039/C5CE01558H","","","0.9","","","0.1537","0.1118","","","0.2035","0.2162","","","","","","1.026","","","","has coordinates,has disorder","171039","2020-10-21","18:00:00",""
"7222367","22.59","0.01","16.93","0.01","25.77","0.02","90","","92.54","0.04","90","","9846","11","446","2","446","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C92.5 H134.25 F8.25 N O17.75 -","- C92.5 H134.25 F8.25 N O17.75 -","- C370 H537 F33 N4 O71 -","4","1","","Brancatelli, Giovanna; Gattuso, Giuseppe; Geremia, Silvano; Manganaro, Nadia; Notti, Anna; Pappalardo, Sebastiano; Parisi, Melchiorre F.; Pisagatti, Ilenia","α,ω-Alkanediyldiammonium dications sealed within calix[5]arene capsules with a hydrophobic bayonet-mount fastening","CrystEngComm","2015","17","41","7915","","10.1039/C5CE01558H","","","0.8856","","","0.1462","0.1187","","","0.3095","0.3476","","","","","","1.037","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7222368","22.509","0.001","22.972","0.002","35.249","0.002","90","","90","","90","","18226","2","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C89.1 H128.9 F3.9 K0.1 N O16.3 -","- C86.5 H123 K0.1 N O15 -","- C692 H984 K0.8 N8 O120 -","8","1","","Brancatelli, Giovanna; Gattuso, Giuseppe; Geremia, Silvano; Manganaro, Nadia; Notti, Anna; Pappalardo, Sebastiano; Parisi, Melchiorre F.; Pisagatti, Ilenia","α,ω-Alkanediyldiammonium dications sealed within calix[5]arene capsules with a hydrophobic bayonet-mount fastening","CrystEngComm","2015","17","41","7915","","10.1039/C5CE01558H","","","0.8","","","0.1579","0.1251","","","0.3275","0.3592","","","","","","0.974","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7222369","9.8448","0.0008","21.9422","0.0018","22.4274","0.0018","90","","90","","90","","4844.7","0.7","100","2","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C19 H18 O4 -","- C19 H18 O4 -","- C228 H216 O48 -","12","1.5","","Feng, Fu; Song, Nan-Nan; Hu, Wei-Bing; Tu, Hai-Yang; Meng, Xiang-Gao; Zhang, Ai-Dong","pH-Dependent supramolecular self-assemblies of copper(ii) (fluorene-9,9-diyl)dipropanoic acid complexes","CrystEngComm","2015","17","43","8216","","10.1039/C5CE01487E","","","0.71073","MoKα","","0.0833","0.0544","","","0.1361","0.1472","","","","","","1.006","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222370","10.5945","0.0016","12.9146","0.0019","15.642","0.002","91.073","0.002","94.126","0.002","93.942","0.002","2129","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H92 Cu2 N4 O18 -","- C96 H92 Cu2 N4 O18 -","- C96 H92 Cu2 N4 O18 -","1","0.5","","Feng, Fu; Song, Nan-Nan; Hu, Wei-Bing; Tu, Hai-Yang; Meng, Xiang-Gao; Zhang, Ai-Dong","pH-Dependent supramolecular self-assemblies of copper(ii) (fluorene-9,9-diyl)dipropanoic acid complexes","CrystEngComm","2015","17","43","8216","","10.1039/C5CE01487E","","","0.71073","MoKα","","0.0796","0.0489","","","0.1391","0.1754","","","","","","1.071","","","","has coordinates","171062","2020-10-21","18:00:00",""
"7222371","10.6479","0.0012","12.8941","0.0015","32.484","0.004","90","","90","","90","","4459.9","0.9","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H30 Cu O9 -","- C21 H30 Cu O9 -","- C168 H240 Cu8 O72 -","8","1","","Feng, Fu; Song, Nan-Nan; Hu, Wei-Bing; Tu, Hai-Yang; Meng, Xiang-Gao; Zhang, Ai-Dong","pH-Dependent supramolecular self-assemblies of copper(ii) (fluorene-9,9-diyl)dipropanoic acid complexes","CrystEngComm","2015","17","43","8216","","10.1039/C5CE01487E","","","0.71073","MoKα","","0.0819","0.0806","","","0.1713","0.1719","","","","","","1.183","","","","has coordinates,has disorder","171062","2020-10-21","18:00:00",""
"7222372","31.962","0.002","31.962","0.002","12.6995","0.001","90","","90","","90","","12973.4","1.5","150","2","150","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C34 H31 Cu N3 O4 -","- C34 H31 Cu N3 O4 -","- C544 H496 Cu16 N48 O64 -","16","0.5","","Feng, Fu; Song, Nan-Nan; Hu, Wei-Bing; Tu, Hai-Yang; Meng, Xiang-Gao; Zhang, Ai-Dong","pH-Dependent supramolecular self-assemblies of copper(ii) (fluorene-9,9-diyl)dipropanoic acid complexes","CrystEngComm","2015","17","43","8216","","10.1039/C5CE01487E","","","0.71073","MoKα","","0.0394","0.0302","","","0.0837","0.0877","","","","","","1.065","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222373","11.0623","0.0012","22.07","0.002","10.3481","0.0011","90","","108.293","0.002","90","","2398.8","0.4","298","2","298","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C53 H47 Cu2 N3 O8 -","- C53 H47 Cu2 N3 O8 -","- C106 H94 Cu4 N6 O16 -","2","0.25","","Feng, Fu; Song, Nan-Nan; Hu, Wei-Bing; Tu, Hai-Yang; Meng, Xiang-Gao; Zhang, Ai-Dong","pH-Dependent supramolecular self-assemblies of copper(ii) (fluorene-9,9-diyl)dipropanoic acid complexes","CrystEngComm","2015","17","43","8216","","10.1039/C5CE01487E","","","0.71073","MoKα","","0.0657","0.0481","","","0.1016","0.1076","","","","","","0.989","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222397","21.9124","0.0004","28.8956","0.0005","26.8085","0.0005","90","","108.904","0.0007","90","","16058.8","0.5","296","","296","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C102 H78.5 B2 Co Fe2 N6 O2 -","- C102.25 H78.5 B2 Co Fe1.9995 N6 O2.25 -","- C818 H628 B16 Co8 Fe15.996 N48 O18 -","8","2","","Bovill, Sally M.; Saines, Paul J.","Structure and magnetic properties of the AB(HCO2)3(A = Rb+or Cs+, B = Mn2+, Co2+or Ni2+) frameworks: probing the effect of size on the phase evolution of the ternary formates","CrystEngComm","2015","17","43","8319","","10.1039/C5CE01628B","","","0.71075","MoKα","","0.1031","0.0787","","","0.1961","0.2126","","","","","","1.01","","","","has coordinates","171056","2020-10-21","18:00:00",""
"7222398","12.6886","","13.1123","","19.4242","","81.413","","75.481","","71.412","","2956.84","","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C109 H94 Co2 F36 Fe4 N12 O4.5 P6 -","- C109 H94 Co2 F36 Fe4 N12 O4.5 P6 -","- C109 H94 Co2 F36 Fe4 N12 O4.5 P6 -","1","0.5","","Bovill, Sally M.; Saines, Paul J.","Structure and magnetic properties of the AB(HCO2)3(A = Rb+or Cs+, B = Mn2+, Co2+or Ni2+) frameworks: probing the effect of size on the phase evolution of the ternary formates","CrystEngComm","2015","17","43","8319","","10.1039/C5CE01628B","","","0.71075","MoKα","","0.1921","0.0979","","","0.2596","0.3503","","","","","","1.071","","","","has coordinates","171056","2020-10-21","18:00:00",""
"7222437","23.29","0.003","23.29","0.003","23.29","0.003","90","","90","","90","","12633","3","113.15","","113.15","","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C46.25 H55.75 N20.38 Ni3 O12.38 -","- C30 H18 N15 Ni3 O7 -","- C240 H144 N120 Ni24 O56 -","8","0.166667","","Ren, Guo-Jian; Liu, Yan-Qing; Hu, Tong-Liang; Bu, Xian-He","Two robust metal‒organic frameworks with uncoordinated N atoms for CO2adsorption","CrystEngComm","2015","17","43","8198","","10.1039/C5CE01340B","","","0.71073","MoKα","","0.0294","0.0289","","","0.0762","0.0766","","","","","","1.111","","","","has coordinates","171058","2020-10-21","18:00:00",""
"7222438","23.57","0.003","23.57","0.003","23.57","0.003","90","","90","","90","","13094","3","113.15","","113.15","","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C38 H40 Co3 N18 O9 -","- C30 H18 Co3 N15 O7 -","- C240 H144 Co24 N120 O56 -","8","0.166667","","Ren, Guo-Jian; Liu, Yan-Qing; Hu, Tong-Liang; Bu, Xian-He","Two robust metal‒organic frameworks with uncoordinated N atoms for CO2adsorption","CrystEngComm","2015","17","43","8198","","10.1039/C5CE01340B","","","0.71073","MoKα","","0.0762","0.0661","","","0.1594","0.1648","","","","","","1.04","","","","has coordinates","171058","2020-10-21","18:00:00",""
"7222439","4.92","0.001","15.711","0.003","18.775","0.004","90","","92.98","0.03","90","","1449.3","0.5","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H29 Au Cl2 N2 O3 -","- C33 H29 Au Cl2 N2 O3 -","- C66 H58 Au2 Cl4 N4 O6 -","2","1","","Siu, Steven Kin-Lok; Po, Charlotte; Yim, King-Chin; Au, Vonika Ka-Man; Yam, Vivian Wing-Wah","Synthesis, characterization and spectroscopic studies of luminescentl-valine modified alkynyl-based cyclometalated gold(iii) complexes with gelation properties driven by π‒π stacking, hydrogen bonding and hydrophobic‒hydrophobic interactions","CrystEngComm","2015","17","42","8153","","10.1039/C5CE01136A","","","0.85","","","0.0503","0.0502","","","0.1321","0.1323","","","","","","1.073","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222443","18.0026","0.0005","18.0026","0.0005","13.3316","0.0002","90","","90","","120","","3741.82","0.16","293","2","293","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C12 H72 Be12 N8 O54 P16 -","- C12 H60 Be12 N8 O48 P16 -","- C24 H120 Be24 N16 O96 P32 -","2","0.166667","","Wang, Guo-Ming; Li, Jin-Hua; Wei, Li; Han, Song-De; Zhao, Xiao-Meng; Bao, Zhen-Zhen","An open-framework beryllium phosphite with extra-large 18-ring channels","CrystEngComm","2015","17","44","8414","","10.1039/C5CE01507C","","","0.71073","MoKα","","0.0929","0.0783","","","0.1518","0.1593","","","","","","1.228","","","","has coordinates","171044","2020-10-21","18:00:00",""
"7222446","20.803","0.002","9.503","0.0005","14.7247","0.0013","90","","100.224","0.008","90","","2864.7","0.4","393","2","393","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N5 O -","- C16 H13 N5 O -","- C128 H104 N40 O8 -","8","2","","Hoxha, Kreshnik; Case, David H.; Day, Graeme M.; Prior, Timothy J.","Co-crystallisation of cytosine with 1,10-phenanthroline: computational screening and experimental realisation","CrystEngComm","2015","17","37","7130","","10.1039/C5CE01286D","","","0.71073","MoKα","","0.3087","0.1192","","","0.2769","0.364","","","","","","0.735","","","","has coordinates","160724","2020-10-21","18:00:00",""
"7222447","20.798","0.002","9.502","0.0005","14.4536","0.0016","90","","100.8","0.009","90","","2805.8","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N5 O -","- C16 H13 N5 O -","- C128 H104 N40 O8 -","8","2","","Hoxha, Kreshnik; Case, David H.; Day, Graeme M.; Prior, Timothy J.","Co-crystallisation of cytosine with 1,10-phenanthroline: computational screening and experimental realisation","CrystEngComm","2015","17","37","7130","","10.1039/C5CE01286D","","","0.71073","MoKα","","0.1417","0.0663","","","0.1522","0.1796","","","","","","0.815","","","","has coordinates","193656","2020-10-21","18:00:00",""
"7222450","9.986","0.009","15.21","0.016","6.35","0.006","90","","99.09","0.03","90","","952.4","1.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H5 Cl2 K O6 -","- C6 H5 Cl2 K O6 -","- C24 H20 Cl8 K4 O24 -","4","1","","Molčanov, Krešimir; Stare, Jernej; Kojić-Prodić, Biserka; Lecomte, Claude; Dahaoui, Slimane; Jelsch, Christian; Wenger, Emmanuel; Šantić, Ana; Zarychta, Bartosz","A polar/πmodel of interactions explains face-to-face stacked quinoid rings: a case study of the crystal of potassium hydrogen chloranilate dihydrate","CrystEngComm","2015","17","45","8645","","10.1039/C5CE01037C","","","0.71073","MoKα","","0.0253","0.013","","","0.0262","0.0272","","","","","","0.963","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222451","9.9843","0.0006","9.9843","0.0006","18.2816","0.0018","90","","90","","90","","1822.4","0.2","173","2","173","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C16 H6 In O8 -","- C16 H6 In O8 -","- C32 H12 In2 O16 -","2","0.125","","Qian, Jinjie; Yu, Panpan; Su, Kongzhao; Dong, Youqing; Huang, Shaoming; Hong, Maochun","Crystal structure, morphology and sorption behaviour of porous indium-tetracarboxylate framework materials","CrystEngComm","2015","17","44","8512","","10.1039/C5CE01376C","","","0.71073","MoKα","","0.0805","0.0682","","","0.2076","0.2219","","","","","","1.065","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222452","19.7244","0.0001","17.0814","0.0001","9.9554","0.0001","90","","90","","90","","3354.18","0.04","173","2","173","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","InOF-13","InOF-13","","- C22 H19 In N2 O8 -","- C22 H19 In N2 O8 -","- C88 H76 In4 N8 O32 -","4","1","","Qian, Jinjie; Yu, Panpan; Su, Kongzhao; Dong, Youqing; Huang, Shaoming; Hong, Maochun","Crystal structure, morphology and sorption behaviour of porous indium-tetracarboxylate framework materials","CrystEngComm","2015","17","44","8512","","10.1039/C5CE01376C","","","1.54184","CuKα","","0.0424","0.0417","","","0.1155","0.1164","","","","","","1.134","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222459","6.467","0.002","6.4665284","","6.4665284","","90","","90","","90","","270.42","0.08","","","","","","","","","","","","1","F d -3 m :1","F 4d 2 3 -1d","227","Sn Alpha","","","- Sn -","- Sn -","- Sn8 -","8","0.0416667","","Oehl, Nikolas; Schmuelling, Guido; Knipper, Martin; Kloepsch, Richard; Placke, Tobias; Kolny-Olesiak, Joanna; Plaggenborg, Thorsten; Winter, Martin; Parisi, Juergen","In situ X-ray diffraction study on the formation of α-Sn in nanocrystalline Sn-based electrodes for lithium-ion batteries","CrystEngComm","2015","17","44","8500","","10.1039/C5CE01841B","","","","","","0.0518853","","","0.0758787","","","","","0.0261653","","","","","","","has coordinates","264415","2021-04-22","14:10:20",""
"7222460","5.8393","0.0007","5.8392763","","3.1876","0.0004","90","","90","","90","","108.689","0.019","","","","","","","","","","","","1","I 41/a m d :1","I 4bw 2bw -1bw","141","Sn Beta","","","- Sn -","- Sn -","- Sn4 -","4","0.125","","Oehl, Nikolas; Schmuelling, Guido; Knipper, Martin; Kloepsch, Richard; Placke, Tobias; Kolny-Olesiak, Joanna; Plaggenborg, Thorsten; Winter, Martin; Parisi, Juergen","In situ X-ray diffraction study on the formation of α-Sn in nanocrystalline Sn-based electrodes for lithium-ion batteries","CrystEngComm","2015","17","44","8500","","10.1039/C5CE01841B","","","","","","0.0518853","","","0.0758787","","","","","0.0261653","","","","","","","has coordinates","264415","2021-04-22","14:10:31",""
"7222893","28.3363","0.0008","13.4618","0.0003","18.2577","0.0006","90","","106.78","0.003","90","","6668","0.3","100.02","0.1","100.02","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C69.5 H66 Cd N4 O11.5 S2 -","- C69.5 H66 Cd N4 O11.5 S2 -","- C278 H264 Cd4 N16 O46 S8 -","4","0.5","","Wang, Lei; Liu, Qi-Kui; Chu, Xin; Pan, Hong; Zhu, Neng-Xiu; Ma, Jian-Ping; Ren, Jian-Cheng; Dong, Yu-Bin","Reversible adsorption and separation of volatile aromatics based on a porous Cd(ii) MOF","CrystEngComm","2015","17","45","8657","","10.1039/C5CE01912E","","","1.54184","CuKα","","0.055","0.0513","","","0.1468","0.1522","","","","","","1.076","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7222894","28.4411","0.0008","13.5404","0.0003","18.3193","0.0005","90","","107.657","0.003","90","","6722.5","0.3","107","10","107","10","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C76 H70 Cd N4 O10 S2 -","- C75.998 H70 Cd N4 O10 S2 -","- C303.992 H280 Cd4 N16 O40 S8 -","4","0.5","","Wang, Lei; Liu, Qi-Kui; Chu, Xin; Pan, Hong; Zhu, Neng-Xiu; Ma, Jian-Ping; Ren, Jian-Cheng; Dong, Yu-Bin","Reversible adsorption and separation of volatile aromatics based on a porous Cd(ii) MOF","CrystEngComm","2015","17","45","8657","","10.1039/C5CE01912E","","","1.54184","CuKα","","0.0547","0.0484","","","0.1312","0.1368","","","","","","1.048","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222895","28.3542","0.0006","13.5093","0.0002","18.2748","0.0003","90","","107.387","0.002","90","","6680.2","0.2","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C70 H64 Cd N4 O10 S2 -","- C70 H64 Cd N4 O10 S2 -","- C280 H256 Cd4 N16 O40 S8 -","4","0.5","","Wang, Lei; Liu, Qi-Kui; Chu, Xin; Pan, Hong; Zhu, Neng-Xiu; Ma, Jian-Ping; Ren, Jian-Cheng; Dong, Yu-Bin","Reversible adsorption and separation of volatile aromatics based on a porous Cd(ii) MOF","CrystEngComm","2015","17","45","8657","","10.1039/C5CE01912E","","","1.54184","CuKα","","0.041","0.0382","","","0.1158","0.118","","","","","","1.103","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222896","28.4302","0.0006","13.5048","0.0002","18.2481","0.0004","90","","107.277","0.002","90","","6690.1","0.2","100.01","0.1","100.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C70 H64 Cd N4 O10 S2 -","- C70 H64 Cd N4 O10 S2 -","- C280 H256 Cd4 N16 O40 S8 -","4","0.5","","Wang, Lei; Liu, Qi-Kui; Chu, Xin; Pan, Hong; Zhu, Neng-Xiu; Ma, Jian-Ping; Ren, Jian-Cheng; Dong, Yu-Bin","Reversible adsorption and separation of volatile aromatics based on a porous Cd(ii) MOF","CrystEngComm","2015","17","45","8657","","10.1039/C5CE01912E","","","1.54184","CuKα","","0.0564","0.052","","","0.1562","0.1607","","","","","","1.108","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222897","28.7379","0.0011","13.4646","0.0004","18.2108","0.0008","90","","108.003","0.004","90","","6701.6","0.5","100.01","0.1","100.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C78 H74 Cd N4 O10 S2 -","- C78 H74 Cd N4 O10 S2 -","- C312 H296 Cd4 N16 O40 S8 -","4","0.5","","Wang, Lei; Liu, Qi-Kui; Chu, Xin; Pan, Hong; Zhu, Neng-Xiu; Ma, Jian-Ping; Ren, Jian-Cheng; Dong, Yu-Bin","Reversible adsorption and separation of volatile aromatics based on a porous Cd(ii) MOF","CrystEngComm","2015","17","45","8657","","10.1039/C5CE01912E","","","1.54184","CuKα","","0.0604","0.0527","","","0.1539","0.1597","","","","","","1.07","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7222998","15.3138","0.0007","23.0323","0.0006","14.3495","0.0006","90","","115.858","0.005","90","","4554.5","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H30 Ag3 Co I5 N8 -","- C40 H30 Ag3 Co I5 N8 -","- C160 H120 Ag12 Co4 I20 N32 -","4","1","","Yu, Tanlai; Fu, Yangbo; Wang, Yilin; Hao, Pengfei; Shen, Junju; Fu, Yunlong","Hierarchical symmetry transfer and flexible charge matching in five [M(phen)3]2+directed iodoargentates with 1 to 3D frameworks","CrystEngComm","2015","17","45","8752","","10.1039/C5CE01692D","","","0.71073","MoKα","","0.0779","0.0504","","","0.1041","0.118","","","","","","1.044","","","","has coordinates","173758","2020-10-21","18:00:00",""
"7222999","14.8002","0.0016","14.8002","0.0016","24.789","0.003","90","","90","","120","","4702.5","0.9","100","2","100","2","","","","","","","","7","P 63/m","-P 6c","176","","","","- C72 H50 Ag11 Co2 I15 N12 O -","- C72 H48 Ag11.0001 Co2 I15 N12 O -","- C144 H96 Ag22.0002 Co4 I30 N24 O2 -","2","0.166667","","Yu, Tanlai; Fu, Yangbo; Wang, Yilin; Hao, Pengfei; Shen, Junju; Fu, Yunlong","Hierarchical symmetry transfer and flexible charge matching in five [M(phen)3]2+directed iodoargentates with 1 to 3D frameworks","CrystEngComm","2015","17","45","8752","","10.1039/C5CE01692D","","","0.71073","MoKα","","0.1406","0.1329","","","0.2941","0.2981","","","","","","1.288","","","","has coordinates,has disorder","173758","2020-10-21","18:00:00",""
"7223000","22.7105","0.0005","22.7105","0.0005","22.7105","0.0005","90","","90","","90","","11713.3","0.4","100","2","100","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C72 H78 Ag13 Co2 I17 N12 O15 -","- C72 H48 Ag13 Co2 I17 N12 -","- C288 H192 Ag52 Co8 I68 N48 -","4","0.333333","","Yu, Tanlai; Fu, Yangbo; Wang, Yilin; Hao, Pengfei; Shen, Junju; Fu, Yunlong","Hierarchical symmetry transfer and flexible charge matching in five [M(phen)3]2+directed iodoargentates with 1 to 3D frameworks","CrystEngComm","2015","17","45","8752","","10.1039/C5CE01692D","","","0.71073","MoKα","","0.1182","0.0675","","","0.1574","0.1784","","","","","","1.056","","","","has coordinates","173758","2020-10-21","18:00:00",""
"7223001","14.868","0.003","14.868","0.003","25.012","0.004","90","","90","","120","","4788.3","1.6","293","2","293","2","","","","","","","","7","P 63/m","-P 6c","176","","","","- C144 H100 Ag24 Cu4 I33 N24 O2 -","- C144 H96 Ag24 Cu4 I33 N24 O2 -","- C144 H96 Ag24 Cu4 I33 N24 O2 -","1","0.0833333","","Yu, Tanlai; Fu, Yangbo; Wang, Yilin; Hao, Pengfei; Shen, Junju; Fu, Yunlong","Hierarchical symmetry transfer and flexible charge matching in five [M(phen)3]2+directed iodoargentates with 1 to 3D frameworks","CrystEngComm","2015","17","45","8752","","10.1039/C5CE01692D","","","0.71073","MoKα","","0.2204","0.1696","","","0.3761","0.4104","","","","","","1.033","","","","has coordinates","173758","2020-10-21","18:00:00",""
"7223002","22.9931","0.0002","22.9931","0.0002","22.9931","0.0002","90","","90","","90","","12156","0.18","293","2","293","2","","","","","","","","7","I 21 3","I 2b 2c 3","199","","","","- C72 H78 Ag14 Cd2 I17 N12 O15 -","- C72 H48 Ag14 Cd2 I17 N12 -","- C288 H192 Ag56 Cd8 I68 N48 -","4","0.166667","","Yu, Tanlai; Fu, Yangbo; Wang, Yilin; Hao, Pengfei; Shen, Junju; Fu, Yunlong","Hierarchical symmetry transfer and flexible charge matching in five [M(phen)3]2+directed iodoargentates with 1 to 3D frameworks","CrystEngComm","2015","17","45","8752","","10.1039/C5CE01692D","","","0.71073","MoKα","","0.1121","0.082","","","0.2293","0.2676","","","","","","1.077","","","","has coordinates","173758","2020-10-21","18:00:00",""
"7223003","14.8402","0.0004","14.8402","0.0004","24.9918","0.0008","90","","90","","120","","4766.6","0.2","293","2","293","2","","","","","","","","7","P 63/m","-P 6c","176","","","","- C144 H100 Ag24 Co4 I33 N24 O2 -","- C144 H96 Ag24 Co4 I33 N24 O2 -","- C144 H96 Ag24 Co4 I33 N24 O2 -","1","0.0833333","","Yu, Tanlai; Fu, Yangbo; Wang, Yilin; Hao, Pengfei; Shen, Junju; Fu, Yunlong","Hierarchical symmetry transfer and flexible charge matching in five [M(phen)3]2+directed iodoargentates with 1 to 3D frameworks","CrystEngComm","2015","17","45","8752","","10.1039/C5CE01692D","","","0.71073","MoKα","","0.0901","0.0724","","","0.2319","0.2486","","","","","","1.156","","","","has coordinates","173758","2020-10-21","18:00:00",""
"7223004","22.8119","0.0003","22.8119","0.0003","22.8119","0.0003","90","","90","","90","","11870.9","0.3","293","2","293","2","","","","","","","","7","I 21 3","I 2b 2c 3","199","","","","- C72 H78 Ag14 Co2 I17 N12 O15 -","- C72 H48 Ag14 Co2 I17 N12 -","- C288 H192 Ag56 Co8 I68 N48 -","4","0.166667","","Yu, Tanlai; Fu, Yangbo; Wang, Yilin; Hao, Pengfei; Shen, Junju; Fu, Yunlong","Hierarchical symmetry transfer and flexible charge matching in five [M(phen)3]2+directed iodoargentates with 1 to 3D frameworks","CrystEngComm","2015","17","45","8752","","10.1039/C5CE01692D","","","0.71073","MoKα","","0.1064","0.074","","","0.2075","0.2366","","","","","","1.103","","","","has coordinates","173758","2020-10-21","18:00:00",""
"7223010","7.8996","0.0005","9.7188","0.0004","10.8839","0.0007","97.916","0.004","95.921","0.006","113.064","0.005","750.09","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H13 N O7 Zn -","- C16 H13 N O7 Zn -","- C32 H26 N2 O14 Zn2 -","2","1","","Ye, Run-Ping; Zhang, Xin; Zhai, Ji-Quan; Qin, Ye-Yan; Zhang, Lei; Yao, Yuan-Gen; Zhang, Jian","N-donor ligands enhancing luminescence properties of seven Zn/Cd(ii) MOFs based on a large rigid π-conjugated carboxylate ligand","CrystEngComm","2015","17","47","9155","","10.1039/C5CE01884F","","","0.71073","MoKα","","0.0435","0.0348","","","0.0757","0.0812","","","","","","1.051","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223011","10.1604","0.0006","11.2134","0.0006","12.1942","0.0007","102.647","0.005","95.448","0.004","107.156","0.005","1276.19","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H25 Cd N3 O6 -","- C29 H23 Cd N3 O6 -","- C58 H46 Cd2 N6 O12 -","2","1","","Ye, Run-Ping; Zhang, Xin; Zhai, Ji-Quan; Qin, Ye-Yan; Zhang, Lei; Yao, Yuan-Gen; Zhang, Jian","N-donor ligands enhancing luminescence properties of seven Zn/Cd(ii) MOFs based on a large rigid π-conjugated carboxylate ligand","CrystEngComm","2015","17","47","9155","","10.1039/C5CE01884F","","","0.71073","MoKα","","0.0551","0.0477","","","0.1242","0.1309","","","","","","1.075","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223012","9.952","0.0003","12.9516","0.0004","13.4675","0.0005","90","","104.847","0.004","90","","1677.93","0.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H13 Cd N2 O5 -","- C21 H13 Cd N2 O5 -","- C84 H52 Cd4 N8 O20 -","4","1","","Ye, Run-Ping; Zhang, Xin; Zhai, Ji-Quan; Qin, Ye-Yan; Zhang, Lei; Yao, Yuan-Gen; Zhang, Jian","N-donor ligands enhancing luminescence properties of seven Zn/Cd(ii) MOFs based on a large rigid π-conjugated carboxylate ligand","CrystEngComm","2015","17","47","9155","","10.1039/C5CE01884F","","","0.71073","MoKα","","0.0408","0.0326","","","0.0691","0.0724","","","","","","1.114","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223013","24.0555","0.0009","7.792","0.0003","18.1219","0.0006","90","","100.783","0.003","90","","3336.8","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H13 N2 O5 Zn -","- C21 H13 N2 O5 Zn -","- C168 H104 N16 O40 Zn8 -","8","1","","Ye, Run-Ping; Zhang, Xin; Zhai, Ji-Quan; Qin, Ye-Yan; Zhang, Lei; Yao, Yuan-Gen; Zhang, Jian","N-donor ligands enhancing luminescence properties of seven Zn/Cd(ii) MOFs based on a large rigid π-conjugated carboxylate ligand","CrystEngComm","2015","17","47","9155","","10.1039/C5CE01884F","","","0.71073","MoKα","","0.0435","0.032","","","0.0709","0.0766","","","","","","1.078","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223014","22.12","0.006","17.647","0.004","25.391","0.006","90","","97.171","0.004","90","","9834","4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C88 H60 N8 O24 Zn4 -","- C88 H56 N8 O24 Zn4 -","- C352 H224 N32 O96 Zn16 -","4","1","","Ye, Run-Ping; Zhang, Xin; Zhai, Ji-Quan; Qin, Ye-Yan; Zhang, Lei; Yao, Yuan-Gen; Zhang, Jian","N-donor ligands enhancing luminescence properties of seven Zn/Cd(ii) MOFs based on a large rigid π-conjugated carboxylate ligand","CrystEngComm","2015","17","47","9155","","10.1039/C5CE01884F","","","0.71073","MoKα","","0.099","0.0791","","","0.2501","0.2777","","","","","","1.054","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223015","9.5144","0.0005","18.7601","0.0007","13.7258","0.0005","90","","92.244","0.004","90","","2448.05","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H21 N3 O7 Zn -","- C28 H21 N3 O7 Zn -","- C112 H84 N12 O28 Zn4 -","4","1","","Ye, Run-Ping; Zhang, Xin; Zhai, Ji-Quan; Qin, Ye-Yan; Zhang, Lei; Yao, Yuan-Gen; Zhang, Jian","N-donor ligands enhancing luminescence properties of seven Zn/Cd(ii) MOFs based on a large rigid π-conjugated carboxylate ligand","CrystEngComm","2015","17","47","9155","","10.1039/C5CE01884F","","","0.71073","MoKα","","0.0344","0.0306","","","0.0715","0.0741","","","","","","1.049","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223016","8.6783","0.0004","18.8256","0.0007","14.1402","0.0006","90","","91.928","0.004","90","","2308.84","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 N3 O7 Zn -","- C26 H21 N3 O7 Zn -","- C104 H84 N12 O28 Zn4 -","4","1","","Ye, Run-Ping; Zhang, Xin; Zhai, Ji-Quan; Qin, Ye-Yan; Zhang, Lei; Yao, Yuan-Gen; Zhang, Jian","N-donor ligands enhancing luminescence properties of seven Zn/Cd(ii) MOFs based on a large rigid π-conjugated carboxylate ligand","CrystEngComm","2015","17","47","9155","","10.1039/C5CE01884F","","","0.71073","MoKα","","0.0495","0.0348","","","0.0732","0.0809","","","","","","1.06","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223033","26.9021","0.001","17.0746","0.0006","27.7311","0.001","90","","119.295","0.001","90","","11109","0.7","185","2","185","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C98 H126 N6 Nd4 O40 -","- C98 H126 N6 Nd4 O40 -","- C392 H504 N24 Nd16 O160 -","4","0.5","","Lin, Shuang-Yan; Li, Xiao-Lei; Ke, Hongshan; Xu, Zhikun","A series of tetranuclear lanthanide compounds constructed by in situ polydentate ligands: synthesis, structure, and SMM behaviour of the Dy4compound","CrystEngComm","2015","17","47","9167","","10.1039/C5CE01818H","","","0.71073","MoKα","","0.0573","0.039","","","0.1003","0.1135","","","","","","1.071","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223034","26.836","0.0016","16.9273","0.001","27.3958","0.0016","90","","118.806","0.001","90","","10904.9","1.1","185","2","185","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C98 H126 N6 O40 Sm4 -","- C98 H124 N6 O40 Sm4 -","- C392 H496 N24 O160 Sm16 -","4","0.5","","Lin, Shuang-Yan; Li, Xiao-Lei; Ke, Hongshan; Xu, Zhikun","A series of tetranuclear lanthanide compounds constructed by in situ polydentate ligands: synthesis, structure, and SMM behaviour of the Dy4compound","CrystEngComm","2015","17","47","9167","","10.1039/C5CE01818H","","","0.71073","MoKα","","0.0394","0.0311","","","0.0918","0.0993","","","","","","1.113","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223035","26.8066","0.0009","16.8139","0.0006","27.5667","0.001","90","","119.657","0.001","90","","10797.3","0.7","185","2","185","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C98 H126 Gd4 N6 O40 -","- C98 H126 Gd4 N6 O40 -","- C392 H504 Gd16 N24 O160 -","4","0.5","","Lin, Shuang-Yan; Li, Xiao-Lei; Ke, Hongshan; Xu, Zhikun","A series of tetranuclear lanthanide compounds constructed by in situ polydentate ligands: synthesis, structure, and SMM behaviour of the Dy4compound","CrystEngComm","2015","17","47","9167","","10.1039/C5CE01818H","","","0.71073","MoKα","","0.0542","0.0377","","","0.1031","0.1204","","","","","","1.127","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223036","12.7298","0.0008","12.941","0.0008","14.4839","0.0009","79.788","0.001","74.518","0.001","72.818","0.001","2184.2","0.2","185","2","185","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H100 Dy4 N4 O34 -","- C76 H94 Dy4 N4 O34 -","- C76 H94 Dy4 N4 O34 -","1","0.5","","Lin, Shuang-Yan; Li, Xiao-Lei; Ke, Hongshan; Xu, Zhikun","A series of tetranuclear lanthanide compounds constructed by in situ polydentate ligands: synthesis, structure, and SMM behaviour of the Dy4compound","CrystEngComm","2015","17","47","9167","","10.1039/C5CE01818H","","","0.71073","MoKα","","0.0605","0.043","","","0.113","0.1211","","","","","","1.073","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223037","10.6807","0.0006","8.8299","0.0008","10.9759","0.0005","90","","94.604","0.005","90","","1031.79","0.12","295","2","295","2","","","100","","","","","5","C 1 2/c 1","-C 2yc","15","nitro-pentaammine-Co(III)-dibromide","nitro-pentaammine-Co(III)-dibromide","","- Br2 Co H15 N6 O2 -","- Br2 Co H15 N6 O2 -","- Br8 Co4 H60 N24 O8 -","4","0.5","","Zakharov, B. A.; Marchuk, A. S.; Boldyreva, E. V.","A single-crystal to single-crystal phase transition in [Co(NH3)5NO2]Br2at high pressure: a step towards understanding linkage photo-isomerisation","CrystEngComm","2015","17","46","8812","","10.1039/C5CE01820J","","","0.71073","MoKα","","0.0349","0.0286","","","0.0621","0.0677","","","","","","1.114","","","","has coordinates","173735","2020-10-21","18:00:00",""
"7223038","10.6575","0.0005","8.7649","0.0009","10.9567","0.0005","90","","94.589","0.005","90","","1020.21","0.12","295","2","295","2","","","150000","","","","","5","C 1 2/c 1","-C 2yc","15","nitro-pentaammine-Co(III)-dibromide","nitro-pentaammine-Co(III)-dibromide","","- Br2 Co H15 N6 O2 -","- Br2 Co H15 N6 O2 -","- Br8 Co4 H60 N24 O8 -","4","0.5","","Zakharov, B. A.; Marchuk, A. S.; Boldyreva, E. V.","A single-crystal to single-crystal phase transition in [Co(NH3)5NO2]Br2at high pressure: a step towards understanding linkage photo-isomerisation","CrystEngComm","2015","17","46","8812","","10.1039/C5CE01820J","","","0.71073","MoKα","","0.0312","0.0271","","","0.0557","0.0578","","","","","","1.084","","","","has coordinates","173735","2020-10-21","18:00:00",""
"7223039","10.6184","0.0004","8.6082","0.0008","10.9307","0.0004","90","","94.591","0.004","90","","995.92","0.11","295","2","295","2","","","580000","","","","","5","C 1 2/c 1","-C 2yc","15","nitro-pentaammine-Co(III)-dibromide","nitro-pentaammine-Co(III)-dibromide","","- Br2 Co H15 N6 O2 -","- Br2 Co H15 N6 O2 -","- Br8 Co4 H60 N24 O8 -","4","0.5","","Zakharov, B. A.; Marchuk, A. S.; Boldyreva, E. V.","A single-crystal to single-crystal phase transition in [Co(NH3)5NO2]Br2at high pressure: a step towards understanding linkage photo-isomerisation","CrystEngComm","2015","17","46","8812","","10.1039/C5CE01820J","","","0.71073","MoKα","","0.0303","0.0266","","","0.0614","0.0634","","","","","","1.058","","","","has coordinates","173735","2020-10-21","18:00:00",""
"7223040","10.6243","0.0005","8.403","0.0008","10.9113","0.0005","90","","94.483","0.004","90","","971.14","0.11","295","2","295","2","","","970000","","","","","5","C 1 2/c 1","-C 2yc","15","nitro-pentaammine-Co(III)-dibromide","nitro-pentaammine-Co(III)-dibromide","","- Br2 Co H15 N6 O2 -","- Br2 Co H15 N6 O2 -","- Br8 Co4 H60 N24 O8 -","4","0.5","","Zakharov, B. A.; Marchuk, A. S.; Boldyreva, E. V.","A single-crystal to single-crystal phase transition in [Co(NH3)5NO2]Br2at high pressure: a step towards understanding linkage photo-isomerisation","CrystEngComm","2015","17","46","8812","","10.1039/C5CE01820J","","","0.71073","MoKα","","0.0273","0.024","","","0.0531","0.0559","","","","","","1.118","","","","has coordinates","173735","2020-10-21","18:00:00",""
"7223041","10.6792","0.0004","8.0977","0.0007","10.9004","0.0004","90","","94.192","0.004","90","","940.11","0.1","295","2","295","2","","","1610000","","","","","5","C 1 2/c 1","-C 2yc","15","nitro-pentaammine-Co(III)-dibromide","nitro-pentaammine-Co(III)-dibromide","","- Br2 Co H15 N6 O2 -","- Br2 Co H15 N6 O2 -","- Br8 Co4 H60 N24 O8 -","4","0.5","","Zakharov, B. A.; Marchuk, A. S.; Boldyreva, E. V.","A single-crystal to single-crystal phase transition in [Co(NH3)5NO2]Br2at high pressure: a step towards understanding linkage photo-isomerisation","CrystEngComm","2015","17","46","8812","","10.1039/C5CE01820J","","","0.71073","MoKα","","0.027","0.0239","","","0.0507","0.0525","","","","","","1.058","","","","has coordinates","173735","2020-10-21","18:00:00",""
"7223042","10.675","0.0005","7.8148","0.0008","10.8204","0.0004","90","","93.829","0.004","90","","900.66","0.11","295","2","295","2","","","2600000","","","","","5","C 1 2/c 1","-C 2yc","15","nitro-pentaammine-Co(III)-dibromide","nitro-pentaammine-Co(III)-dibromide","","- Br2 Co H15 N6 O2 -","- Br2 Co H15 N6 O2 -","- Br8 Co4 H60 N24 O8 -","4","0.5","","Zakharov, B. A.; Marchuk, A. S.; Boldyreva, E. V.","A single-crystal to single-crystal phase transition in [Co(NH3)5NO2]Br2at high pressure: a step towards understanding linkage photo-isomerisation","CrystEngComm","2015","17","46","8812","","10.1039/C5CE01820J","","","0.71073","MoKα","","0.0266","0.0231","","","0.0525","0.0551","","","","","","1.108","","","","has coordinates","173735","2020-10-21","18:00:00",""
"7223043","10.6557","0.0004","7.7006","0.0007","10.7594","0.0004","90","","93.693","0.004","90","","881.03","0.09","295","2","295","2","","","3300000","","","","","5","C 1 2/c 1","-C 2yc","15","nitro-pentaammine-Co(III)-dibromide","nitro-pentaammine-Co(III)-dibromide","","- Br2 Co H15 N6 O2 -","- Br2 Co H15 N6 O2 -","- Br8 Co4 H60 N24 O8 -","4","0.5","","Zakharov, B. A.; Marchuk, A. S.; Boldyreva, E. V.","A single-crystal to single-crystal phase transition in [Co(NH3)5NO2]Br2at high pressure: a step towards understanding linkage photo-isomerisation","CrystEngComm","2015","17","46","8812","","10.1039/C5CE01820J","","","0.71073","MoKα","","0.0292","0.0249","","","0.0492","0.0512","","","","","","1.118","","","","has coordinates","173735","2020-10-21","18:00:00",""
"7223044","10.6379","0.0004","7.6361","0.0006","10.7112","0.0003","90","","93.601","0.003","90","","868.38","0.08","295","2","295","2","","","3800000","","","","","5","C 1 2/c 1","-C 2yc","15","nitro-pentaammine-Co(III)-dibromide","nitro-pentaammine-Co(III)-dibromide","","- Br2 Co H15 N6 O2 -","- Br2 Co H15 N6 O2 -","- Br8 Co4 H60 N24 O8 -","4","0.5","","Zakharov, B. A.; Marchuk, A. S.; Boldyreva, E. V.","A single-crystal to single-crystal phase transition in [Co(NH3)5NO2]Br2at high pressure: a step towards understanding linkage photo-isomerisation","CrystEngComm","2015","17","46","8812","","10.1039/C5CE01820J","","","0.71073","MoKα","","0.0247","0.0224","","","0.0487","0.0498","","","","","","1.08","","","","has coordinates","173735","2020-10-21","18:00:00",""
"7223045","10.6148","0.0004","7.568","0.0007","10.6476","0.0004","90","","93.508","0.003","90","","853.75","0.09","295","2","295","2","","","4400000","","","","","5","C 1 2/c 1","-C 2yc","15","nitro-pentaammine-Co(III)-dibromide","nitro-pentaammine-Co(III)-dibromide","","- Br2 Co H15 N6 O2 -","- Br2 Co H15 N6 O2 -","- Br8 Co4 H60 N24 O8 -","4","0.5","","Zakharov, B. A.; Marchuk, A. S.; Boldyreva, E. V.","A single-crystal to single-crystal phase transition in [Co(NH3)5NO2]Br2at high pressure: a step towards understanding linkage photo-isomerisation","CrystEngComm","2015","17","46","8812","","10.1039/C5CE01820J","","","0.71073","MoKα","","0.0265","0.024","","","0.0557","0.0575","","","","","","1.083","","","","has coordinates","173735","2020-10-21","18:00:00",""
"7223046","10.6023","0.0005","7.5308","0.0007","10.6049","0.0004","90","","93.439","0.004","90","","845.21","0.09","295","2","295","2","","","4800000","","","","","5","C 1 2/c 1","-C 2yc","15","nitro-pentaammine-Co(III)-dibromide","nitro-pentaammine-Co(III)-dibromide","","- Br2 Co H15 N6 O2 -","- Br2 Co H15 N6 O2 -","- Br8 Co4 H60 N24 O8 -","4","0.5","","Zakharov, B. A.; Marchuk, A. S.; Boldyreva, E. V.","A single-crystal to single-crystal phase transition in [Co(NH3)5NO2]Br2at high pressure: a step towards understanding linkage photo-isomerisation","CrystEngComm","2015","17","46","8812","","10.1039/C5CE01820J","","","0.71073","MoKα","","0.0273","0.0252","","","0.0586","0.0603","","","","","","1.07","","","","has coordinates","173735","2020-10-21","18:00:00",""
"7223047","10.5931","0.0004","7.4783","0.0007","10.5357","0.0004","90","","93.3","0.004","90","","833.24","0.09","295","2","295","2","","","5500000","","","","","5","C 1 2/c 1","-C 2yc","15","nitro-pentaammine-Co(III)-dibromide","nitro-pentaammine-Co(III)-dibromide","","- Br2 Co H15 N6 O2 -","- Br2 Co H15 N6 O2 -","- Br8 Co4 H60 N24 O8 -","4","0.5","","Zakharov, B. A.; Marchuk, A. S.; Boldyreva, E. V.","A single-crystal to single-crystal phase transition in [Co(NH3)5NO2]Br2at high pressure: a step towards understanding linkage photo-isomerisation","CrystEngComm","2015","17","46","8812","","10.1039/C5CE01820J","","","0.71073","MoKα","","0.0261","0.0232","","","0.0536","0.0564","","","","","","1.098","","","","has coordinates","173735","2020-10-21","18:00:00",""
"7223048","10.5914","0.0005","7.4435","0.0007","10.4601","0.0004","90","","93.121","0.004","90","","823.42","0.09","295","2","295","2","","","6010000","","","","","5","C 1 2/c 1","-C 2yc","15","nitro-pentaammine-Co(III)-dibromide","nitro-pentaammine-Co(III)-dibromide","","- Br2 Co H15 N6 O2 -","- Br2 Co H15 N6 O2 -","- Br8 Co4 H60 N24 O8 -","4","0.5","","Zakharov, B. A.; Marchuk, A. S.; Boldyreva, E. V.","A single-crystal to single-crystal phase transition in [Co(NH3)5NO2]Br2at high pressure: a step towards understanding linkage photo-isomerisation","CrystEngComm","2015","17","46","8812","","10.1039/C5CE01820J","","","0.71073","MoKα","","0.0281","0.0256","","","0.0603","0.0618","","","","","","1.089","","","","has coordinates","173735","2020-10-21","18:00:00",""
"7223049","10.7595","0.0005","7.439","0.0006","10.089","0.0004","90","","90","","90","","807.52","0.08","295","2","295","2","","","6850000","","","","","5","C m c m","-C 2c 2","63","nitro-pentaammine-Co(III)-dibromide","nitro-pentaammine-Co(III)-dibromide","","- Br2 Co H15 N6 O2 -","- Br2 Co H15 N6 O2 -","- Br8 Co4 H60 N24 O8 -","4","0.25","","Zakharov, B. A.; Marchuk, A. S.; Boldyreva, E. V.","A single-crystal to single-crystal phase transition in [Co(NH3)5NO2]Br2at high pressure: a step towards understanding linkage photo-isomerisation","CrystEngComm","2015","17","46","8812","","10.1039/C5CE01820J","","","0.71073","MoKα","","0.029","0.027","","","0.0622","0.0637","","","","","","1.053","","","","has coordinates","173735","2020-10-21","18:00:00",""
"7223050","9.3753","0.0004","16.5379","0.0008","18.0472","0.0009","90","","101.094","0.001","90","","2745.9","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H42 N8 O8 Zn2 -","- C56 H42 N8 O8 Zn2 -","- C112 H84 N16 O16 Zn4 -","2","0.5","","Fan, Liming; Fan, Weiliu; Li, Bin; Zhao, Xian; Zhang, Xiutang","Coligand syntheses, crystal structures, luminescence and photocatalytic properties of five coordination polymers based on rigid tetracarboxylic acids and imidazole linkers","CrystEngComm","2015","17","48","9413","","10.1039/C5CE01740H","","","0.71073","MoKα","","0.0706","0.0476","","","0.128","0.1359","","","","","","1.09","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223051","8.928","0.002","16.369","0.004","17.65","0.004","90","","99.023","0.004","90","","2547.5","1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H23 N4 O5 Zn -","- C28 H23 N4 O5 Zn -","- C112 H92 N16 O20 Zn4 -","4","1","","Fan, Liming; Fan, Weiliu; Li, Bin; Zhao, Xian; Zhang, Xiutang","Coligand syntheses, crystal structures, luminescence and photocatalytic properties of five coordination polymers based on rigid tetracarboxylic acids and imidazole linkers","CrystEngComm","2015","17","48","9413","","10.1039/C5CE01740H","","","0.71073","MoKα","","0.0866","0.0574","","","0.1738","0.1937","","","","","","1.049","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223052","24.15","0.02","14.463","0.013","8.914","0.008","90","","90.251","0.016","90","","3113","5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H26 Cu N4 O8 -","- C36 H26 Cu N4 O8 -","- C144 H104 Cu4 N16 O32 -","4","0.5","","Fan, Liming; Fan, Weiliu; Li, Bin; Zhao, Xian; Zhang, Xiutang","Coligand syntheses, crystal structures, luminescence and photocatalytic properties of five coordination polymers based on rigid tetracarboxylic acids and imidazole linkers","CrystEngComm","2015","17","48","9413","","10.1039/C5CE01740H","","","0.71073","MoKα","","0.0914","0.0672","","","0.1812","0.2004","","","","","","1.037","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7223053","11.573","0.003","13.892","0.004","14.655","0.004","62.631","0.004","68.977","0.004","68.8","0.004","1897.3","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H44 Co4 N12 O18 -","- C74 H44 Co4 N12 O18 -","- C74 H44 Co4 N12 O18 -","1","0.5","","Fan, Liming; Fan, Weiliu; Li, Bin; Zhao, Xian; Zhang, Xiutang","Coligand syntheses, crystal structures, luminescence and photocatalytic properties of five coordination polymers based on rigid tetracarboxylic acids and imidazole linkers","CrystEngComm","2015","17","48","9413","","10.1039/C5CE01740H","","","0.71073","MoKα","","0.083","0.0544","","","0.1395","0.1533","","","","","","1.033","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223054","7.455","0.006","17.478","0.014","17.024","0.013","90","","101.686","0.013","90","","2172","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H21 N4 Ni O5 -","- C25 H19 N4 Ni O4 -","- C100 H76 N16 Ni4 O16 -","4","1","","Fan, Liming; Fan, Weiliu; Li, Bin; Zhao, Xian; Zhang, Xiutang","Coligand syntheses, crystal structures, luminescence and photocatalytic properties of five coordination polymers based on rigid tetracarboxylic acids and imidazole linkers","CrystEngComm","2015","17","48","9413","","10.1039/C5CE01740H","","","0.71073","MoKα","","0.0931","0.0553","","","0.1341","0.1506","","","","","","0.963","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223055","12.0561","0.0002","13.4846","0.0003","21.0459","0.0005","90","","97.4474","0.0009","90","","3392.6","0.12","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36.6 H29.2 Cl1.2 N2 Ni P2 S2 -","- C36.6 H29.2 Cl1.2 N2 Ni P2 S2 -","- C146.4 H116.8 Cl4.8 N8 Ni4 P8 S8 -","4","1","","Yadav, Reena; Trivedi, Manoj; Kociok-Köhn, Gabriele; Prasad, Rajendra; Kumar, Abhinav","New Ni(ii) 1,2-bis(diphenylphosphino)ethane dithiolates: crystallographic, computational and Hirshfeld surface analyses","CrystEngComm","2015","17","47","9175","","10.1039/C5CE01526J","","","0.71073","MoKα","","0.0922","0.0505","","","0.1151","0.1331","","","","","","1.032","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7223056","11.7944","0.0001","18.1645","0.0002","61.6538","0.0008","90","","90","","90","","13208.7","0.3","150","2","150","2","","","","","","","","7","F 2 d d","F -2d 2","43","","","","- C137.4 H114.8 Cl2.8 N8 Ni4 P8 S8 -","- C137.4 H114.8 Cl2.8 N8 Ni4 P8 S8 -","- C549.6 H459.2 Cl11.2 N32 Ni16 P32 S32 -","4","0.25","","Yadav, Reena; Trivedi, Manoj; Kociok-Köhn, Gabriele; Prasad, Rajendra; Kumar, Abhinav","New Ni(ii) 1,2-bis(diphenylphosphino)ethane dithiolates: crystallographic, computational and Hirshfeld surface analyses","CrystEngComm","2015","17","47","9175","","10.1039/C5CE01526J","","","0.71073","MoKα","","0.0481","0.0346","","","0.0707","0.0758","","","","","","1.073","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7223093","5.453","0.0005","8.0998","0.0009","14.4067","0.0017","95.208","0.01","98.408","0.009","107.43","0.007","594.44","0.12","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H26 Cu5 O20 S2 -","- C10 H26 Cu5 O20 S2 -","- C10 H26 Cu5 O20 S2 -","1","0.5","","Fujita, Wataru","Convenient crystal growth, structural determination and magnetic studies of layered copper hydroxides containing aromatic sulfonates","CrystEngComm","2015","17","47","9193","","10.1039/C5CE01731A","","","0.71075","MoKα","","0.0453","0.0369","","","0.0952","0.1024","","","","","","1.033","","","","has coordinates","173764","2020-10-21","18:00:00",""
"7223094","8.1058","0.0006","8.5966","0.0007","15.1429","0.0012","90.034","0.004","95.059","0.005","99.868","0.005","1035.4","0.14","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H22 Cu4 O14 S -","- C12 H22 Cu4 O14 S -","- C24 H44 Cu8 O28 S2 -","2","1","","Fujita, Wataru","Convenient crystal growth, structural determination and magnetic studies of layered copper hydroxides containing aromatic sulfonates","CrystEngComm","2015","17","47","9193","","10.1039/C5CE01731A","","","0.71075","MoKα","","0.0577","0.0486","","","0.1291","0.1368","","","","","","0.928","","","","has coordinates","173764","2020-10-21","18:00:00",""
"7223095","16.769","0.012","6.45","0.004","10.595","0.007","90","","95.894","0.007","90","","1139.9","1.3","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 Cu2 O6 S -","- C8 H12 Cu2 O6 S -","- C32 H48 Cu8 O24 S4 -","4","1","","Fujita, Wataru","Convenient crystal growth, structural determination and magnetic studies of layered copper hydroxides containing aromatic sulfonates","CrystEngComm","2015","17","47","9193","","10.1039/C5CE01731A","","","0.71075","MoKα","","0.0887","0.0544","","","0.1071","0.1239","","","","","","1.083","","","","has coordinates","173764","2020-10-21","18:00:00",""
"7223096","15.493","0.004","6.449","0.0014","10.597","0.003","90","","97.476","0.007","90","","1049.8","0.5","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H10 Cu2 O6 S -","- C7 H10 Cu2 O6 S -","- C28 H40 Cu8 O24 S4 -","4","1","","Fujita, Wataru","Convenient crystal growth, structural determination and magnetic studies of layered copper hydroxides containing aromatic sulfonates","CrystEngComm","2015","17","47","9193","","10.1039/C5CE01731A","","","0.71075","MoKα","","0.0523","0.0358","","","0.0779","0.0853","","","","","","1.013","","","","has coordinates","173764","2020-10-21","18:00:00",""
"7223097","16.394","0.003","13.578","0.003","18.261","0.003","90","","115.509","0.003","90","","3668.6","1.2","273","2","273.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H36 Co2 N2 O12 -","- C41 H36 Co2 N2 O11.25 -","- C164 H144 Co8 N8 O45 -","4","1","","Hu, Tuoping; Zheng, Baohua; Wang, Xiaoqing; Hao, Xuena","Syntheses, structures and magnetic properties of four manganese(ii) and cobalt(ii) complexes","CrystEngComm","2015","17","48","9348","","10.1039/C5CE01857A","","","0.71073","MoKα","","0.1473","0.0656","","","0.1215","0.1376","","","","","","0.998","","","","has coordinates","173753","2020-10-21","18:00:00",""
"7223098","7.7565","0.0006","9.5643","0.0008","15.1895","0.0014","96.781","0.007","94.868","0.007","110.509","0.007","1038.34","0.16","298.5","0.4","298.5","0.4","","","","","","","","5","P -1","-P 1","2","","","","- C23 H20 Mn N2 O7 -","- C23 H20 Mn N2 O7 -","- C46 H40 Mn2 N4 O14 -","2","1","","Hu, Tuoping; Zheng, Baohua; Wang, Xiaoqing; Hao, Xuena","Syntheses, structures and magnetic properties of four manganese(ii) and cobalt(ii) complexes","CrystEngComm","2015","17","48","9348","","10.1039/C5CE01857A","","","0.71073","MoKα","","0.0887","0.0536","","","0.081","0.0983","","","","","","1.013","","","","has coordinates","173753","2020-10-21","18:00:00",""
"7223099","7.3524","0.0004","10.8982","0.0005","24.64","0.0014","90.393","0.004","90.391","0.004","98.794","0.004","1951.03","0.18","298.2","0.5","298.2","0.5","","","","","","","","5","P -1","-P 1","2","","","","- C20 H19 Mn N2 O8 -","- C20 H19 Mn N2 O8 -","- C80 H76 Mn4 N8 O32 -","4","2","","Hu, Tuoping; Zheng, Baohua; Wang, Xiaoqing; Hao, Xuena","Syntheses, structures and magnetic properties of four manganese(ii) and cobalt(ii) complexes","CrystEngComm","2015","17","48","9348","","10.1039/C5CE01857A","","","0.71","MoKα","","0.1091","0.0635","","","0.1347","0.1597","","","","","","0.986","","","","has coordinates","173753","2020-10-21","18:00:00",""
"7223100","9.8337","0.0012","10.0529","0.0007","15.735","0.003","98.507","0.01","106.136","0.013","97.295","0.008","1454.5","0.4","298","2","298.15","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H27 Co N4 O5 -","- C34 H27 Co N4 O5 -","- C68 H54 Co2 N8 O10 -","2","1","","Hu, Tuoping; Zheng, Baohua; Wang, Xiaoqing; Hao, Xuena","Syntheses, structures and magnetic properties of four manganese(ii) and cobalt(ii) complexes","CrystEngComm","2015","17","48","9348","","10.1039/C5CE01857A","","x-ray","0.71073","MoKα","","0.1731","0.0952","","","0.1686","0.2183","","","","","","1.019","","","","has coordinates","173753","2020-10-21","18:00:00",""
"7223101","5.2605","0.0011","9.4604","0.0019","20.691","0.004","90","","90.7","0.03","90","","1029.6","0.4","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C30 H22 -","- C30 H22 -","- C60 H44 -","2","0.5","","Wu, Dong-En; Wang, Man-Ning; Luo, Yang-Hui; Wen, Gao-Ju; Sun, Bai-Wang","Influence of halogen atoms on the structures and photophysical properties of 9,10-distyrylanthracene (DSA)","CrystEngComm","2015","17","47","9228","","10.1039/C5CE01465D","","","0.71073","MoKα","","0.1681","0.0846","","","0.164","0.194","","","","","","1.003","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223102","9.408","0.0019","10.249","0.002","12.766","0.003","106.25","0.03","90.87","0.03","115.16","0.03","1056.8","0.5","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H20 F2 -","- C30 H20 F2 -","- C60 H40 F4 -","2","1","","Wu, Dong-En; Wang, Man-Ning; Luo, Yang-Hui; Wen, Gao-Ju; Sun, Bai-Wang","Influence of halogen atoms on the structures and photophysical properties of 9,10-distyrylanthracene (DSA)","CrystEngComm","2015","17","47","9228","","10.1039/C5CE01465D","","","0.71073","MoKα","","0.1324","0.0679","","","0.1579","0.1926","","","","","","1.003","","","","has coordinates","173767","2020-10-21","18:00:00",""
"7223103","6.9264","0.0014","9.7188","0.0019","9.951","0.002","64.11","0.03","71.29","0.03","76.17","0.03","566.9","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H20 Cl2 -","- C30 H20 Cl2 -","- C30 H20 Cl2 -","1","0.5","","Wu, Dong-En; Wang, Man-Ning; Luo, Yang-Hui; Wen, Gao-Ju; Sun, Bai-Wang","Influence of halogen atoms on the structures and photophysical properties of 9,10-distyrylanthracene (DSA)","CrystEngComm","2015","17","47","9228","","10.1039/C5CE01465D","","","0.71073","MoKα","","0.1607","0.0711","","","0.122","0.1454","","","","","","1.001","","","","has coordinates","173767","2020-10-21","18:00:00",""
"7223104","4.622","0.0009","27.568","0.006","9.282","0.0019","90","","103.74","0.03","90","","1148.9","0.4","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H20 Br2 -","- C30 H20 Br2 -","- C60 H40 Br4 -","2","0.5","","Wu, Dong-En; Wang, Man-Ning; Luo, Yang-Hui; Wen, Gao-Ju; Sun, Bai-Wang","Influence of halogen atoms on the structures and photophysical properties of 9,10-distyrylanthracene (DSA)","CrystEngComm","2015","17","47","9228","","10.1039/C5CE01465D","","","0.71073","MoKα","","0.2021","0.0856","","","0.142","0.1797","","","","","","1.001","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223105","4.65","0.0009","28.225","0.006","9.326","0.0019","90","","104.36","0.03","90","","1185.8","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H20 I2 -","- C30 H20 I2 -","- C60 H40 I4 -","2","0.5","","Wu, Dong-En; Wang, Man-Ning; Luo, Yang-Hui; Wen, Gao-Ju; Sun, Bai-Wang","Influence of halogen atoms on the structures and photophysical properties of 9,10-distyrylanthracene (DSA)","CrystEngComm","2015","17","47","9228","","10.1039/C5CE01465D","","","0.71073","MoKα","","0.2034","0.0785","","","0.0977","0.1286","","","","","","1.001","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223119","8.6157","0.0002","9.9155","0.0002","13.1345","0.0004","97.391","0.001","102.24","0.001","109.899","0.001","1006.17","0.04","173","2","173","2","","","","","","","","4","P -1","-P 1","2","Propranolol fumarate (1:1)","","","- C20 H25 N O6 -","- C20 H25 N O6 -","- C40 H50 N2 O12 -","2","1","","Stepanovs, D.; Jure, M.; Yanichev, A.; Belyakov, S.; Mishnev, A.","Molecular salts of propranolol with dicarboxylic acids: diversity of stoichiometry, supramolecular structures and physicochemical properties","CrystEngComm","2015","17","47","9023","","10.1039/C5CE01408E","","","0.71073","MoKα","","0.0563","0.0476","","","0.1207","0.1273","","","","","","1.043","","","","has coordinates","173766","2020-10-21","18:00:00",""
"7223120","7.7989","0.0003","9.1669","0.0004","12.4724","0.0006","89.47","0.002","75.754","0.002","76.412","0.003","838.95","0.06","173","2","173","2","","","","","","","","4","P -1","-P 1","2","Propranolol fumarate (2:1)","","","- C18 H23 N O4 -","- C18 H23 N O4 -","- C36 H46 N2 O8 -","2","1","","Stepanovs, D.; Jure, M.; Yanichev, A.; Belyakov, S.; Mishnev, A.","Molecular salts of propranolol with dicarboxylic acids: diversity of stoichiometry, supramolecular structures and physicochemical properties","CrystEngComm","2015","17","47","9023","","10.1039/C5CE01408E","","","0.71073","MoKα","","0.0705","0.0515","","","0.115","0.1255","","","","","","1.044","","","","has coordinates","173766","2020-10-21","18:00:00",""
"7223121","9.201","0.0003","8.7153","0.0003","24.771","0.0011","90","","94.618","0.001","90","","1979.92","0.13","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Propranolol maleate (1:1)","","","- C20 H25 N O6 -","- C20 H25 N O6 -","- C80 H100 N4 O24 -","4","1","","Stepanovs, D.; Jure, M.; Yanichev, A.; Belyakov, S.; Mishnev, A.","Molecular salts of propranolol with dicarboxylic acids: diversity of stoichiometry, supramolecular structures and physicochemical properties","CrystEngComm","2015","17","47","9023","","10.1039/C5CE01408E","","","0.71073","MoKα","","0.2376","0.0826","","","0.1179","0.1528","","","","","","0.98","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223122","8.1696","0.0003","5.6053","0.0002","18.9321","0.0009","90","","98.82","0.002","90","","856.71","0.06","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H22 N O4 -","- C18 H23 N O6 -","- C36 H46 N2 O12 -","2","1","","Stepanovs, D.; Jure, M.; Yanichev, A.; Belyakov, S.; Mishnev, A.","Molecular salts of propranolol with dicarboxylic acids: diversity of stoichiometry, supramolecular structures and physicochemical properties","CrystEngComm","2015","17","47","9023","","10.1039/C5CE01408E","","","0.71073","MoKα","","0.1305","0.0044","","","0.0054","0.0157","","","","","","0.092","","","","has coordinates","173766","2020-10-21","18:00:00",""
"7223123","10.7741","0.0002","11.3507","0.0002","28.2413","0.0006","90","","90","","90","","3453.73","0.11","173","2","173","2","","","","","","","","4","P b n 21","P 2c -2ab","33","Propranolol oxalate methanol solvate (2:1:1)","","","- C34.9 H47.6 N2 O8.9 -","- C34.9 H47.6 N2 O8.9 -","- C139.6 H190.4 N8 O35.6 -","4","1","","Stepanovs, D.; Jure, M.; Yanichev, A.; Belyakov, S.; Mishnev, A.","Molecular salts of propranolol with dicarboxylic acids: diversity of stoichiometry, supramolecular structures and physicochemical properties","CrystEngComm","2015","17","47","9023","","10.1039/C5CE01408E","","","0.71073","MoKα","","0.2359","0.0792","","","0.1215","0.1601","","","","","","0.988","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7223124","12.9928","0.0006","6.4517","0.0003","19.842","0.0013","90","","106.6","0.002","90","","1593.95","0.15","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Propranolol oxalate (2:1)","","","- C17 H22 N O4 -","- C17 H22 N O4 -","- C68 H88 N4 O16 -","4","1","","Stepanovs, D.; Jure, M.; Yanichev, A.; Belyakov, S.; Mishnev, A.","Molecular salts of propranolol with dicarboxylic acids: diversity of stoichiometry, supramolecular structures and physicochemical properties","CrystEngComm","2015","17","47","9023","","10.1039/C5CE01408E","","","0.71073","MoKα","","0.2767","0.1619","","","0.399","0.4529","","","","","","1.054","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223145","9.625","0.0003","13.5168","0.0004","23.6869","0.0007","90","","111.174","0.001","90","","2873.6","0.15","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 Eu2 N3 O21 -","- C21 H21 Eu2 N3 O21 -","- C84 H84 Eu8 N12 O84 -","4","1","","Shen, Lanlan; Yang, Lu; Fan, Yong; Wang, Li; Xu, Jianing","Construction of a series of lanthanide metal‒organic frameworks: synthesis, structure, luminescence and white light emission","CrystEngComm","2015","17","48","9363","","10.1039/C5CE01718A","","","0.71073","MoKα","","0.0183","0.0161","","","0.039","0.0401","","","","","","1.041","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223146","9.557","0.0019","13.361","0.003","23.414","0.006","90.16","0.03","111.68","0.03","89.29","0.03","2778","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 N3 O21 Tb2 -","- C21 H21 N3 O21 Tb2 -","- C84 H84 N12 O84 Tb8 -","4","1","","Shen, Lanlan; Yang, Lu; Fan, Yong; Wang, Li; Xu, Jianing","Construction of a series of lanthanide metal‒organic frameworks: synthesis, structure, luminescence and white light emission","CrystEngComm","2015","17","48","9363","","10.1039/C5CE01718A","","","0.71073","MoKα","","0.0315","0.0263","","","0.0659","0.0692","","","","","","1.045","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223147","8.234","0.0016","10.489","0.002","13.085","0.003","93.86","0.03","102.68","0.03","106.85","0.03","1044.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H3 Gd2 N O20 -","- C11 H3 Gd2 N O20 -","- C22 H6 Gd4 N2 O40 -","2","1","","Shen, Lanlan; Yang, Lu; Fan, Yong; Wang, Li; Xu, Jianing","Construction of a series of lanthanide metal‒organic frameworks: synthesis, structure, luminescence and white light emission","CrystEngComm","2015","17","48","9363","","10.1039/C5CE01718A","","","0.71073","MoKα","","0.0257","0.022","","","0.0804","0.0948","","","","","","1.274","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223148","10.5042","0.0013","43.81","0.004","43.81","0.004","90","","90","","90","","20161","4","296","2","296","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C27 H22 Cd N2 O4 -","- C27 H22 Cd N2 O4 -","- C864 H704 Cd32 N64 O128 -","32","1","","Fan, Ting-Ting; Li, Jia-Jia; Qu, Xiang-Long; Han, Hong-Liang; Li, Xia","Metal(ii)‒organic frameworks with 3,3′-diphenyldicarboxylate and 1,3-bis(4-pyridyl)propane: preparation, crystal structures and luminescence","CrystEngComm","2015","17","48","9443","","10.1039/C5CE01772F","","","0.71073","MoKα","","0.0663","0.0422","","","0.0941","0.1101","","","","","","1.067","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7223149","10.0555","0.0015","18.049","0.003","10.8042","0.0017","90","","107.127","0.005","90","","1873.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H30 Cu2 N2 O8 -","- C41 H30 Cu2 N2 O8 -","- C82 H60 Cu4 N4 O16 -","2","0.5","","Fan, Ting-Ting; Li, Jia-Jia; Qu, Xiang-Long; Han, Hong-Liang; Li, Xia","Metal(ii)‒organic frameworks with 3,3′-diphenyldicarboxylate and 1,3-bis(4-pyridyl)propane: preparation, crystal structures and luminescence","CrystEngComm","2015","17","48","9443","","10.1039/C5CE01772F","","","0.71073","MoKα","","0.0595","0.0371","","","0.0801","0.0888","","","","","","1.017","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7223150","17.7194","0.0007","11.712","0.0005","23.0697","0.0009","90","","90","","90","","4787.6","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H22 N2 O4 Zn -","- C27 H22 N2 O4 Zn -","- C216 H176 N16 O32 Zn8 -","8","1","","Fan, Ting-Ting; Li, Jia-Jia; Qu, Xiang-Long; Han, Hong-Liang; Li, Xia","Metal(ii)‒organic frameworks with 3,3′-diphenyldicarboxylate and 1,3-bis(4-pyridyl)propane: preparation, crystal structures and luminescence","CrystEngComm","2015","17","48","9443","","10.1039/C5CE01772F","","","0.71073","MoKα","","0.0786","0.0474","","","0.1107","0.1309","","","","","","1.005","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223151","10.592","0.004","11.235","0.005","13.182","0.007","93.99","0.03","102.12","0.02","108.62","0.02","1437.5","1.2","294","","","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H24 Br4 N2 S -","- C31 H24 Br4 N2 S -","- C62 H48 Br8 N4 S2 -","2","1","","Alshahateet, Solhe F.; Bhadbhade, Mohan M.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Halogen containing clusters N2Br2, N2Br4, S2Br4and S2Br6yield penannular inclusion compounds","CrystEngComm","2015","17","47","9111","","10.1039/C5CE01838B","","","0.71073","MoKα","","","0.039","","","","0.044","","","","","","1.28","","","","has coordinates","173768","2020-10-21","18:00:00",""
"7223152","9.182","0.0018","9.6642","0.0019","14.466","0.003","83.296","0.004","75.723","0.004","73.399","0.004","1190.7","0.4","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H15.5 Br4 N2.5 S -","- C25 H15.5 Br4 N2.5 S -","- C50 H31 Br8 N5 S2 -","2","1","","Alshahateet, Solhe F.; Bhadbhade, Mohan M.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Halogen containing clusters N2Br2, N2Br4, S2Br4and S2Br6yield penannular inclusion compounds","CrystEngComm","2015","17","47","9111","","10.1039/C5CE01838B","","","0.71073","MoKα","","0.0635","0.044","","","0.1018","0.1098","","","","","","1.028","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7223153","8.1907","0.0013","9.497","0.0015","15.261","0.002","90.457","0.003","96.073","0.004","98.192","0.003","1168.1","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H15.5 Br4 N2.5 S -","- C25 H15.5 Br4 N2.5 S -","- C50 H31 Br8 N5 S2 -","2","1","","Alshahateet, Solhe F.; Bhadbhade, Mohan M.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Halogen containing clusters N2Br2, N2Br4, S2Br4and S2Br6yield penannular inclusion compounds","CrystEngComm","2015","17","47","9111","","10.1039/C5CE01838B","","","0.71073","MoKα","","0.0601","0.0428","","","0.1066","0.1136","","","","","","1.051","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7223154","7.7119","0.001","10.6252","0.0015","15.117","0.002","98.268","0.003","99.55","0.003","101.403","0.003","1177.3","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H15.5 Br4 N2.5 S -","- C25 H15.5 Br4 N2.5 S -","- C50 H31 Br8 N5 S2 -","2","1","","Alshahateet, Solhe F.; Bhadbhade, Mohan M.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Halogen containing clusters N2Br2, N2Br4, S2Br4and S2Br6yield penannular inclusion compounds","CrystEngComm","2015","17","47","9111","","10.1039/C5CE01838B","","","0.71073","MoKα","","0.0827","0.0524","","","0.1312","0.1446","","","","","","1.043","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7223155","9.488","0.004","10.506","0.006","13.679","0.008","88.73","0.04","76.54","0.04","78.5","0.04","1299","1.2","294","","294","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H22 Br4 N2 S -","- C27 H22 Br4 N2 S -","- C54 H44 Br8 N4 S2 -","2","1","","Alshahateet, Solhe F.; Bhadbhade, Mohan M.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Halogen containing clusters N2Br2, N2Br4, S2Br4and S2Br6yield penannular inclusion compounds","CrystEngComm","2015","17","47","9111","","10.1039/C5CE01838B","","","0.71073","MoKα","","","0.048","","","","0.051","","","","","","1.45","","","","has coordinates","173768","2020-10-21","18:00:00",""
"7223161","17.7929","0.0011","17.7444","0.0012","28.2638","0.0018","90","","97.522","0.001","90","","8846.8","1","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H41 Br3 Hg1.5 N4 O5.5 S1.5 -","- C38 H32 Br3 Hg1.5 N4 O4 -","- C304 H256 Br24 Hg12 N32 O32 -","8","2","","Liu, Qing-Xiang; Liu, Rui; Ding, Yue; Zhao, Xiao-Jun; Zhao, Zhi-Xiang; Zhang, Wei","Preparation and structure of NHC Hg(ii) and Ag(i) macrometallocycles","CrystEngComm","2015","17","48","9380","","10.1039/C5CE01352F","","","0.71073","MoKα","","0.0722","0.0486","","","0.1105","0.1161","","","","","","1.034","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7223162","9.108","0.002","15.513","0.003","30.601","0.007","90","","90.472","0.003","90","","4323.5","1.6","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H35 Hg2 I4 N5 O4 -","- C40 H35 Hg2 I4 N5 O4 -","- C160 H140 Hg8 I16 N20 O16 -","4","1","","Liu, Qing-Xiang; Liu, Rui; Ding, Yue; Zhao, Xiao-Jun; Zhao, Zhi-Xiang; Zhang, Wei","Preparation and structure of NHC Hg(ii) and Ag(i) macrometallocycles","CrystEngComm","2015","17","48","9380","","10.1039/C5CE01352F","","","0.71073","MoKα","","0.0473","0.0422","","","0.0976","0.0996","","","","","","1.098","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223163","8.9084","0.0019","14.54","0.003","15.73","0.003","71.47","0.003","89.982","0.003","77.678","0.003","1882.3","0.7","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C14.5 H15.5 Hg I2 N2 O2.25 S0.25 -","- C14.5 H15.5 Hg I2 N2 O2.25 S0.25 -","- C58 H62 Hg4 I8 N8 O9 S -","4","2","","Liu, Qing-Xiang; Liu, Rui; Ding, Yue; Zhao, Xiao-Jun; Zhao, Zhi-Xiang; Zhang, Wei","Preparation and structure of NHC Hg(ii) and Ag(i) macrometallocycles","CrystEngComm","2015","17","48","9380","","10.1039/C5CE01352F","","","0.71073","MoKα","","0.0508","0.047","","","0.1257","0.1297","","","","","","1.016","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7223164","12.5139","0.0008","26.9719","0.0017","16.546","0.0011","90","","92.418","0.001","90","","5579.7","0.6","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C47 H43 Hg2 I4 N6 O5.5 S1.5 -","- C44 H34 Hg2 I4 N6 O4 -","- C176 H136 Hg8 I16 N24 O16 -","4","1","","Liu, Qing-Xiang; Liu, Rui; Ding, Yue; Zhao, Xiao-Jun; Zhao, Zhi-Xiang; Zhang, Wei","Preparation and structure of NHC Hg(ii) and Ag(i) macrometallocycles","CrystEngComm","2015","17","48","9380","","10.1039/C5CE01352F","","","0.71073","MoKα","","0.0695","0.0607","","","0.1696","0.1747","","","","","","1.071","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7223165","14.9034","0.0012","14.5799","0.0012","15.1148","0.0012","90","","117.776","0.001","90","","2905.9","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 Ag F6 N4 O4 P -","- C28 H28 Ag F6 N4 O4 P -","- C112 H112 Ag4 F24 N16 O16 P4 -","4","1","","Liu, Qing-Xiang; Liu, Rui; Ding, Yue; Zhao, Xiao-Jun; Zhao, Zhi-Xiang; Zhang, Wei","Preparation and structure of NHC Hg(ii) and Ag(i) macrometallocycles","CrystEngComm","2015","17","48","9380","","10.1039/C5CE01352F","","","0.71073","MoKα","","0.0356","0.0325","","","0.0866","0.0894","","","","","","1.056","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7223166","29.6014","0.0016","29.6014","0.0016","22.5","0.003","90","","90","","120","","17074","3","173","2","173","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C38 H38 Ag F6 N4 O5 P S -","- C36 H32 Ag F5.98 N4 O4 P0.996667 -","- C648 H576 Ag18 F107.64 N72 O72 P17.94 -","18","1","","Liu, Qing-Xiang; Liu, Rui; Ding, Yue; Zhao, Xiao-Jun; Zhao, Zhi-Xiang; Zhang, Wei","Preparation and structure of NHC Hg(ii) and Ag(i) macrometallocycles","CrystEngComm","2015","17","48","9380","","10.1039/C5CE01352F","","","0.71073","MoKα","","0.1483","0.1147","","","0.2926","0.3146","","","","","","1.065","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223167","12.7163","0.0019","14.533","0.002","14.628","0.002","62.589","0.002","83.154","0.002","74.119","0.002","2308.2","0.6","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C46 H45 Ag F6 N6 O7.5 P S -","- C46 H40 Ag F6 N6 O7.5 P S -","- C92 H80 Ag2 F12 N12 O15 P2 S2 -","2","1","","Liu, Qing-Xiang; Liu, Rui; Ding, Yue; Zhao, Xiao-Jun; Zhao, Zhi-Xiang; Zhang, Wei","Preparation and structure of NHC Hg(ii) and Ag(i) macrometallocycles","CrystEngComm","2015","17","48","9380","","10.1039/C5CE01352F","","","0.71073","MoKα","","0.0765","0.0548","","","0.1317","0.1485","","","","","","1.037","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7223168","16.7572","0.0003","12.434","0.0002","19.4838","0.0003","90","","91.3502","0.0015","90","","4058.5","0.12","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","[Ce(hfac)3(BrPyDTDA)2]","","","- C27 H9 Br2 Ce F18 N6 O6 S4 -","- C27 H9 Br2 Ce F18 N6 O6 S4 -","- C108 H36 Br8 Ce4 F72 N24 O24 S16 -","4","1","","Mills, Michelle B.; Hollingshead, Andrew G.; Maahs, Adam C.; Soldatov, Dmitriy V.; Preuss, Kathryn E.","Isomerization of a lanthanide complex using a humming top guest template: a solid-to-solid reaction","CrystEngComm","2015","17","41","7816","","10.1039/C5CE01680K","","","1.54184","CuKα","","0.0644","0.058","","","0.1445","0.1486","","","","","","1.071","","","","has coordinates","170196","2020-10-21","18:00:00",""
"7223169","36.8971","0.0005","30.3093","0.0004","17.87564","0.00019","90","","90","","90","","19990.8","0.4","150","2","150","2","","","","","","","","10","F d d 2","F 2 -2d","43","[Ce(hfac)3(BrPyDTDA)2]*0.5{SbPh3Cl2}","","","- C36 H16.5 Br2 Ce Cl F18 N6 O6 S4 Sb0.5 -","- C36 H16.5 Br2 Ce Cl F18 N6 O6 S4 Sb0.5 -","- C576 H264 Br32 Ce16 Cl16 F288 N96 O96 S64 Sb8 -","16","1","","Mills, Michelle B.; Hollingshead, Andrew G.; Maahs, Adam C.; Soldatov, Dmitriy V.; Preuss, Kathryn E.","Isomerization of a lanthanide complex using a humming top guest template: a solid-to-solid reaction","CrystEngComm","2015","17","41","7816","","10.1039/C5CE01680K","","","0.71073","MoKα","","0.0599","0.0481","","","0.1189","0.1275","","","","","","1.037","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7223175","12.843","0.0006","14.7287","0.0005","15.9263","0.0004","90.59","0.002","103.901","0.003","90.697","0.003","2923.91","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H56 N4 O14 Zn2 -","- C68 H56 N4 O14 Zn2 -","- C136 H112 N8 O28 Zn4 -","2","1","","Shi, Yi-Xiang; Hu, Fei-Long; Zhang, Wen-Hua; Lang, Jian-Ping","A unique Zn(ii)-based MOF fluorescent probe for the dual detection of nitroaromatics and ketones in water","CrystEngComm","2015","17","48","9404","","10.1039/C5CE02000J","","","1.54178","CuKα","","0.0913","0.083","","","0.2321","0.2397","","","","","","1.079","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7223176","12.918","0.0005","14.8371","0.0006","15.9001","0.0005","91.322","0.003","104.162","0.003","90.048","0.003","2954.03","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H56 Cd2 N4 O14 -","- C68 H56 Cd2 N4 O14 -","- C136 H112 Cd4 N8 O28 -","2","1","","Shi, Yi-Xiang; Hu, Fei-Long; Zhang, Wen-Hua; Lang, Jian-Ping","A unique Zn(ii)-based MOF fluorescent probe for the dual detection of nitroaromatics and ketones in water","CrystEngComm","2015","17","48","9404","","10.1039/C5CE02000J","","","0.71073","MoKα","","0.0512","0.0327","","","0.0647","0.0706","","","","","","1.015","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7223177","13.519","0.002","9.896","0.0017","14.609","0.002","90","","112.259","0.003","90","","1808.8","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 N6 O6 Zn -","- C18 H16 N6 O6 Zn -","- C72 H64 N24 O24 Zn4 -","4","0.5","","Yang, Li-Bo; Wang, Hong-Can; Fang, Xiao-Dan; Chen, Si-Jin; Xu, Quan-Qing; Zhu, Ai-Xin; Yang, Zhi","A series of Zn(ii) and Cd(ii) coordination compounds based on 4-(4H-1,2,4-triazol-4-yl)benzoic acid: synthesis, structure and photoluminescence properties","CrystEngComm","2016","18","1","130","","10.1039/C5CE01815C","","","0.71073","MoKα","","0.0514","0.0432","","","0.114","0.121","","","","","","1.123","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223178","9.097","0.003","17.622","0.005","7.464","0.002","90","","92.337","0.006","90","","1195.5","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Cl N3 O3 Zn -","- C10 H10 Cl N3 O3 Zn -","- C40 H40 Cl4 N12 O12 Zn4 -","4","1","","Yang, Li-Bo; Wang, Hong-Can; Fang, Xiao-Dan; Chen, Si-Jin; Xu, Quan-Qing; Zhu, Ai-Xin; Yang, Zhi","A series of Zn(ii) and Cd(ii) coordination compounds based on 4-(4H-1,2,4-triazol-4-yl)benzoic acid: synthesis, structure and photoluminescence properties","CrystEngComm","2016","18","1","130","","10.1039/C5CE01815C","","","0.71073","MoKα","","0.063","0.0505","","","0.1259","0.1316","","","","","","1.116","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223179","13.664","0.002","7.8616","0.0013","8.2311","0.0014","90","","91.4","0.003","90","","883.9","0.2","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C18 H12 N6 O4 Zn -","- C18 H12 N6 O4 Zn -","- C36 H24 N12 O8 Zn2 -","2","0.5","","Yang, Li-Bo; Wang, Hong-Can; Fang, Xiao-Dan; Chen, Si-Jin; Xu, Quan-Qing; Zhu, Ai-Xin; Yang, Zhi","A series of Zn(ii) and Cd(ii) coordination compounds based on 4-(4H-1,2,4-triazol-4-yl)benzoic acid: synthesis, structure and photoluminescence properties","CrystEngComm","2016","18","1","130","","10.1039/C5CE01815C","","","0.71073","MoKα","","0.0406","0.039","","","0.0747","0.0755","","","","","","1.012","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223180","8.3848","0.0017","14.808","0.003","11.494","0.002","90","","90","","90","","1427.1","0.5","293","2","293","2","","","","","","","","5","P n c 2","P 2 -2bc","30","","","","- C21 H26.2 Cd N7 O8.6 -","- C18 H12 Cd N6 O4 -","- C36 H24 Cd2 N12 O8 -","2","0.5","","Yang, Li-Bo; Wang, Hong-Can; Fang, Xiao-Dan; Chen, Si-Jin; Xu, Quan-Qing; Zhu, Ai-Xin; Yang, Zhi","A series of Zn(ii) and Cd(ii) coordination compounds based on 4-(4H-1,2,4-triazol-4-yl)benzoic acid: synthesis, structure and photoluminescence properties","CrystEngComm","2016","18","1","130","","10.1039/C5CE01815C","","","0.71073","MoKα","","0.0312","0.0284","","","0.0763","0.0779","","","","","","1.074","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223181","16.68","0.003","32.764","0.007","6.5537","0.0013","90","","90","","90","","3581.6","1.2","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C18 H12 Cd N6 O4 -","- C18 H12 Cd N6 O4 -","- C144 H96 Cd8 N48 O32 -","8","0.5","","Yang, Li-Bo; Wang, Hong-Can; Fang, Xiao-Dan; Chen, Si-Jin; Xu, Quan-Qing; Zhu, Ai-Xin; Yang, Zhi","A series of Zn(ii) and Cd(ii) coordination compounds based on 4-(4H-1,2,4-triazol-4-yl)benzoic acid: synthesis, structure and photoluminescence properties","CrystEngComm","2016","18","1","130","","10.1039/C5CE01815C","","","0.71073","MoKα","","0.0197","0.0176","","","0.0406","0.0522","","","","","","1.199","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223182","12.946","0.003","17.321","0.003","22.153","0.004","70.13","0.03","76.08","0.03","73.31","0.03","4418.3","1.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C58.5 H54.5 Cd5 Cl4 N19.5 O17.5 -","- C58.5 H46.5 Cd5 Cl4 N19.5 O17.5 -","- C117 H93 Cd10 Cl8 N39 O35 -","2","1","","Yang, Li-Bo; Wang, Hong-Can; Fang, Xiao-Dan; Chen, Si-Jin; Xu, Quan-Qing; Zhu, Ai-Xin; Yang, Zhi","A series of Zn(ii) and Cd(ii) coordination compounds based on 4-(4H-1,2,4-triazol-4-yl)benzoic acid: synthesis, structure and photoluminescence properties","CrystEngComm","2016","18","1","130","","10.1039/C5CE01815C","","","0.71073","MoKα","","0.0722","0.0545","","","0.1593","0.17","","","","","","1.02","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7223183","20.0621","0.0018","15.593","0.0014","17.2349","0.0015","90","","90","","90","","5391.6","0.8","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22 H28 N7 O8.5 Zn -","- C18 H12 N6 O4 Zn -","- C144 H96 N48 O32 Zn8 -","8","1","","Yang, Li-Bo; Wang, Hong-Can; Fang, Xiao-Dan; Chen, Si-Jin; Xu, Quan-Qing; Zhu, Ai-Xin; Yang, Zhi","A series of Zn(ii) and Cd(ii) coordination compounds based on 4-(4H-1,2,4-triazol-4-yl)benzoic acid: synthesis, structure and photoluminescence properties","CrystEngComm","2016","18","1","130","","10.1039/C5CE01815C","","","0.71073","MoKα","","0.06","0.0441","","","0.1076","0.1143","","","","","","1.012","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223184","5.1765","0.001","15.228","0.003","21.041","0.004","90","","93.91","0.03","90","","1654.8","0.6","110.15","","110.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Triflusal-BA cocrystal","","- C17 H14 F3 N O5 -","- C17 H14 F3 N O5 -","- C68 H56 F12 N4 O20 -","4","1","","Aitipamula, Srinivasulu; Mapp, Lucy K.; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Novel pharmaceutical cocrystals of triflusal: crystal engineering and physicochemical characterization","CrystEngComm","2015","17","48","9323","","10.1039/C5CE01756D","","","0.71073","MoKα","","0.072","0.0651","","","0.15","0.1552","","","","","","1.179","","","","has coordinates,has disorder","173752","2020-10-21","18:00:00",""
"7223185","17.345","0.007","5.1415","0.0017","19.447","0.007","90","","112.506","0.005","90","","1602.2","1","110","","110","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","Triflusal-Isonicotinamide cocrystal","","- C16 H13 F3 N2 O5 -","- C16 H13 F3 N2 O5 -","- C64 H52 F12 N8 O20 -","4","1","","Aitipamula, Srinivasulu; Mapp, Lucy K.; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Novel pharmaceutical cocrystals of triflusal: crystal engineering and physicochemical characterization","CrystEngComm","2015","17","48","9323","","10.1039/C5CE01756D","","","0.71075","MoKα","","0.0686","0.0559","","","0.1566","0.1782","","","","","","1.108","","","","has coordinates,has disorder","173752","2020-10-21","18:00:00",""
"7223186","5.5536","0.0011","11.95","0.002","12.2","0.002","96.01","0.03","94.85","0.03","95.99","0.03","797.1","0.3","110.15","","110.15","","","","","","","","","5","P -1","-P 1","2","","Triflusal-2-Picoliniamide cocrystal","","- C16 H13 F3 N2 O5 -","- C16 H13 F3 N2 O5 -","- C32 H26 F6 N4 O10 -","2","1","","Aitipamula, Srinivasulu; Mapp, Lucy K.; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Novel pharmaceutical cocrystals of triflusal: crystal engineering and physicochemical characterization","CrystEngComm","2015","17","48","9323","","10.1039/C5CE01756D","","","0.71073","MoKα","","0.0456","0.0442","","","0.1184","0.1198","","","","","","1.086","","","","has coordinates","173752","2020-10-21","18:00:00",""
"7223187","18.729","0.006","9.921","0.003","8.067","0.003","90","","97.605","0.004","90","","1485.7","0.9","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Triflusal-Propionamide cocrystal","","- C13 H14 F3 N O5 -","- C13 H14 F3 N O5 -","- C52 H56 F12 N4 O20 -","4","1","","Aitipamula, Srinivasulu; Mapp, Lucy K.; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Novel pharmaceutical cocrystals of triflusal: crystal engineering and physicochemical characterization","CrystEngComm","2015","17","48","9323","","10.1039/C5CE01756D","","","0.71075","MoKα","","0.0453","0.0414","","","0.1118","0.1157","","","","","","1.067","","","","has coordinates,has disorder","173752","2020-10-21","18:00:00",""
"7223188","14.601","0.003","10.92","0.002","15.342","0.003","90","","102.49","0.03","90","","2388.3","0.9","110.15","","110.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Triflusal-urea cocrystal","","- C21 H18 F6 N2 O9 -","- C21 H18 F6 N2 O9 -","- C84 H72 F24 N8 O36 -","4","0.5","","Aitipamula, Srinivasulu; Mapp, Lucy K.; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Novel pharmaceutical cocrystals of triflusal: crystal engineering and physicochemical characterization","CrystEngComm","2015","17","48","9323","","10.1039/C5CE01756D","","","0.71073","MoKα","","0.04","0.0396","","","0.1075","0.1079","","","","","","1.061","","","","has coordinates","173752","2020-10-21","18:00:00",""
"7223189","19.8545","0.0008","5.06409","0.00017","21.853","0.0011","90","","114.362","0.006","90","","2001.56","0.17","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Triflusal-valpromide cocrystal","","- C18 H24 F3 N O5 -","- C18 H24 F3 N O5 -","- C72 H96 F12 N4 O20 -","4","1","","Aitipamula, Srinivasulu; Mapp, Lucy K.; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Novel pharmaceutical cocrystals of triflusal: crystal engineering and physicochemical characterization","CrystEngComm","2015","17","48","9323","","10.1039/C5CE01756D","","x-ray","0.71073","MoKα","","0.0557","0.0456","","","0.1106","0.1167","","","","","","1.042","","","","has coordinates,has disorder","173752","2020-10-21","18:00:00",""
"7223190","5.4112","0.0003","14.2338","0.0007","8.9052","0.0004","90","","95.922","0.005","90","","682.24","0.06","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C4 H16 Mg2 N2 O14 P2 -","- C4 H16 Mg2 N2 O14 P2 -","- C8 H32 Mg4 N4 O28 P4 -","2","0.5","","Zhang, Wei; Kang, Maoping; Yang, Meng; Luo, Daibing; Lin, Zhien","Solvent-free synthesis of new magnesium phosphate‒oxalates displaying diverse framework topologies","CrystEngComm","2015","17","48","9296","","10.1039/C5CE02001H","","","0.71073","MoKα","","0.0426","0.034","","","0.086","0.0924","","","","","","1.067","","","","has coordinates","173754","2020-10-21","18:00:00",""
"7223191","5.4134","0.0002","15.259","0.0006","9.0176","0.0004","90","","94.704","0.004","90","","742.37","0.05","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C5 H18 Mg2 N2 O14 P2 -","- C5 H6 Mg2 N2 O14 P2 -","- C10 H12 Mg4 N4 O28 P4 -","2","0.5","","Zhang, Wei; Kang, Maoping; Yang, Meng; Luo, Daibing; Lin, Zhien","Solvent-free synthesis of new magnesium phosphate‒oxalates displaying diverse framework topologies","CrystEngComm","2015","17","48","9296","","10.1039/C5CE02001H","","","0.71073","MoKα","","0.0539","0.0464","","","0.1188","0.1248","","","","","","1.113","","","","has coordinates,has disorder","173754","2020-10-21","18:00:00",""
"7223192","7.6627","0.0003","7.8432","0.0003","9.7695","0.0003","72.092","0.003","83.275","0.003","84.998","0.003","554.04","0.04","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C10 H20 Mg4 N2 O22 P2 -","- C10 H20 Mg4 N2 O22 P2 -","- C10 H20 Mg4 N2 O22 P2 -","1","0.5","","Zhang, Wei; Kang, Maoping; Yang, Meng; Luo, Daibing; Lin, Zhien","Solvent-free synthesis of new magnesium phosphate‒oxalates displaying diverse framework topologies","CrystEngComm","2015","17","48","9296","","10.1039/C5CE02001H","","x-ray","1.54184","CuKα","","0.0419","0.0416","","","0.1107","0.1112","","","","","","1.114","","","","has coordinates","173754","2020-10-21","18:00:00",""
"7223193","8.23203","0.00011","16.34232","0.00015","13.28134","0.00015","90","","90","","90","","1786.74","0.04","293","","293","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C8 H18 Mg2 N2 O16 P2 -","- C8 H18 Mg2 N2 O16 P2 -","- C32 H72 Mg8 N8 O64 P8 -","4","0.5","","Zhang, Wei; Kang, Maoping; Yang, Meng; Luo, Daibing; Lin, Zhien","Solvent-free synthesis of new magnesium phosphate‒oxalates displaying diverse framework topologies","CrystEngComm","2015","17","48","9296","","10.1039/C5CE02001H","","x-ray","1.54184","CuKα","","0.0561","0.0539","","","0.1483","0.1513","","","","","","1.103","","","","has coordinates,has disorder","173754","2020-10-21","18:00:00",""
"7223194","9.3755","0.0002","7.4746","0.0001","15.431","0.0002","90","","100.119","0.002","90","","1064.55","0.03","292.1","0.3","292.1","0.3","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H12 Mg N O9 P -","- C6 H12 Mg N O9 P -","- C24 H48 Mg4 N4 O36 P4 -","4","1","","Zhang, Wei; Kang, Maoping; Yang, Meng; Luo, Daibing; Lin, Zhien","Solvent-free synthesis of new magnesium phosphate‒oxalates displaying diverse framework topologies","CrystEngComm","2015","17","48","9296","","10.1039/C5CE02001H","","x-ray","1.54184","CuKα","","0.0452","0.042","","","0.1123","0.1159","","","","","","1.116","","","","has coordinates","173754","2020-10-21","18:00:00",""
"7223195","15.1014","0.0002","10.96857","0.00017","22.3338","0.0004","90","","103.099","0.0015","90","","3603.12","0.1","293.15","","293.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H38 Mg4 N3 O30 P3 -","- C18 H34 Mg4 N3 O30 P3 -","- C72 H136 Mg16 N12 O120 P12 -","4","0.5","","Zhang, Wei; Kang, Maoping; Yang, Meng; Luo, Daibing; Lin, Zhien","Solvent-free synthesis of new magnesium phosphate‒oxalates displaying diverse framework topologies","CrystEngComm","2015","17","48","9296","","10.1039/C5CE02001H","","x-ray","1.54184","CuKα","","0.0514","0.0486","","","0.1333","0.1366","","","","","","1.032","","","","has coordinates,has disorder","173754","2020-10-21","18:00:00",""
"7223196","7.7738","0.0003","9.484","0.0003","11.9243","0.0005","78.102","0.003","78.574","0.004","86.183","0.003","842.9","0.06","293.15","","293.15","","","","","","","","","6","P 1","P 1","1","","","","- C16 H33 Mg4 N4 O30 P3 -","- C16 H33 Mg4 N4 O30 P3 -","- C16 H33 Mg4 N4 O30 P3 -","1","1","","Zhang, Wei; Kang, Maoping; Yang, Meng; Luo, Daibing; Lin, Zhien","Solvent-free synthesis of new magnesium phosphate‒oxalates displaying diverse framework topologies","CrystEngComm","2015","17","48","9296","","10.1039/C5CE02001H","","x-ray","1.54184","CuKα","","0.048","0.0473","","","0.1243","0.1257","","","","","","1.065","","","","has coordinates","173754","2020-10-21","18:00:00",""
"7223197","9.3254","0.0002","9.428","0.0003","14.306","0.0004","96.449","0.002","103.879","0.002","104.35","0.002","1163.07","0.06","292.8","0.4","292.8","0.4","","","","","","","","6","P -1","-P 1","2","","","","- C10 H29 Mg2 N3 O19 P2 -","- C10 H27 Mg2 N3 O19 P2 -","- C20 H54 Mg4 N6 O38 P4 -","2","1","","Zhang, Wei; Kang, Maoping; Yang, Meng; Luo, Daibing; Lin, Zhien","Solvent-free synthesis of new magnesium phosphate‒oxalates displaying diverse framework topologies","CrystEngComm","2015","17","48","9296","","10.1039/C5CE02001H","","x-ray","1.54184","CuKα","","0.0487","0.0462","","","0.1285","0.1327","","","","","","1.063","","","","has coordinates,has disorder","173754","2020-10-21","18:00:00",""
"7223198","13.805","0.003","23.501","0.006","7.6773","0.0018","90","","90","","90","","2490.8","1","296","2","296","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C35 H24 S -","- C35 H24 S -","- C140 H96 S4 -","4","1","","Ye, Junwei; Huang, Xueming; Gao, Yuan; Wang, Xiaoxiao; Zheng, Ting; Lin, Yuan; Liu, Xin; Ning, Guiling","Morphology-controlled assembly and enhanced emission of fluorescence in organic nanospheres and microrods based on 1,2-diphenyl-4-(4-dibenzothienyl)phenyl-1,3-cyclopentadiene","CrystEngComm","2015","17","48","9311","","10.1039/C5CE01849H","","","0.71073","MoKα","","0.0916","0.0527","","","0.1051","0.1178","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223199","14.916","0.007","14.964","0.007","15.309","0.007","64.365","0.008","89.997","0.008","62.904","0.009","2659","2","173","2","173","2","","","","","","","6-Chloro-purin-2-amine","4","P -1","-P 1","2","pr_GCl","6-Chloro-9-propyl-purin-2-amine","","- C8 H10 Cl N5 -","- C8 H10 Cl N5 -","- C64 H80 Cl8 N40 -","8","4","","Jang, Yoona; Yoo, Seo Yeon; Gu, Hye Rin; Lee, Yu Jin; Cha, Young Shin; You, Laekyeong; Noh, Kyungkyou; Kim, Jaheon","Hydrogen-bonding networks of purine derivatives and their bilayers for guest intercalation","CrystEngComm","2016","18","1","62","","10.1039/C5CE01611H","","","0.71075","MoKα","","0.1766","0.0989","","","0.2552","0.3053","","","","","","0.865","","","","has coordinates","175981","2020-10-21","18:00:00",""
"7223200","15.078","0.003","15.132","0.003","21.864","0.004","81.61","0.03","80.08","0.03","89.95","0.03","4859.8","1.7","296","2","296","2","","","","","","","6-Chloro-purin-2-amine","4","P -1","-P 1","2","pt_GCl","6-Chloro-9-penyl-purin-2-amine","","- C20 H28 Cl2 N10 -","- C20 H28 Cl2 N10 -","- C160 H224 Cl16 N80 -","8","4","","Jang, Yoona; Yoo, Seo Yeon; Gu, Hye Rin; Lee, Yu Jin; Cha, Young Shin; You, Laekyeong; Noh, Kyungkyou; Kim, Jaheon","Hydrogen-bonding networks of purine derivatives and their bilayers for guest intercalation","CrystEngComm","2016","18","1","62","","10.1039/C5CE01611H","","","0.71075","MoKα","","0.2303","0.1411","","","0.3251","0.3679","","","","","","0.992","","","","has coordinates","175981","2020-10-21","18:00:00",""
"7223201","15.022","0.003","44.14","0.009","15.211","0.003","90","","90","","90","","10086","3","173","2","173","2","","","","","","","6-Chloro-purin-2-amine","4","C c c a :2","-C 2a 2ac","68","xylene_pr_GCl","p-xylene with 6-Chloro-9-propyl-purin-2-amine","","- C24 H30 Cl2 N10 -","- C24 H30 Cl2 N10 -","- C384 H480 Cl32 N160 -","16","1","","Jang, Yoona; Yoo, Seo Yeon; Gu, Hye Rin; Lee, Yu Jin; Cha, Young Shin; You, Laekyeong; Noh, Kyungkyou; Kim, Jaheon","Hydrogen-bonding networks of purine derivatives and their bilayers for guest intercalation","CrystEngComm","2016","18","1","62","","10.1039/C5CE01611H","","","0.71","synchrotron","","0.3296","0.2602","","","0.5974","0.6304","","","","","","2.24","","","","has coordinates,has disorder","208235","2020-10-21","18:00:00",""
"7223238","27.631","0.0019","29.08","0.003","13.136","0.001","90","","90","","90","","10554.9","1.5","110","2","110","2","","","","","","","","7","I m m a","-I 2b 2","74","","","","- C52 H30 Gd2 N4 Na2 O21 Zn -","- C52 H30 Gd2 N4 Na2 O21 Zn -","- C208 H120 Gd8 N16 Na8 O84 Zn4 -","4","0.25","","Tripuramallu, Bharat Kumar; Titi, Hatem M.; Roy, Sadipan; Verma, Roli; Goldberg, Israel","Ameliorated synthetic methodology for crystalline lanthanoid‒metalloporphyrin open frameworks based on a multitopic octacarboxy-porphyrin scaffold: structural, gas sorption and photophysical properties","CrystEngComm","2016","18","4","515","","10.1039/C5CE02048D","","","0.71073","MoKα","","0.0866","0.0646","","","0.1841","0.1959","","","","","","0.966","","","","has coordinates","175945","2020-10-21","18:00:00",""
"7223239","27.108","0.004","29.418","0.003","12.9723","0.0018","90","","90","","90","","10345","2","110","2","110","2","","","","","","","","7","I m m a","-I 2b 2","74","","","","- C52 H30 N4 Na2 O21 Sm2 Zn -","- C52 H30 N4 Na2 O21 Sm2 Zn -","- C208 H120 N16 Na8 O84 Sm8 Zn4 -","4","0.25","","Tripuramallu, Bharat Kumar; Titi, Hatem M.; Roy, Sadipan; Verma, Roli; Goldberg, Israel","Ameliorated synthetic methodology for crystalline lanthanoid‒metalloporphyrin open frameworks based on a multitopic octacarboxy-porphyrin scaffold: structural, gas sorption and photophysical properties","CrystEngComm","2016","18","4","515","","10.1039/C5CE02048D","","","0.71073","MoKα","","0.1598","0.0736","","","0.1671","0.1791","","","","","","1.009","","","","has coordinates","175945","2020-10-21","18:00:00",""
"7223240","27.1337","0.0011","29.2422","0.0014","13.0757","0.0007","90","","90","","90","","10374.9","0.9","110","2","110","2","","","","","","","","7","I m m a","-I 2b 2","74","","","","- C52 H29 Dy2 N4 Na2 O21 Zn -","- C52 H29 Dy2 N4 Na2 O21 Zn -","- C208 H116 Dy8 N16 Na8 O84 Zn4 -","4","0.25","","Tripuramallu, Bharat Kumar; Titi, Hatem M.; Roy, Sadipan; Verma, Roli; Goldberg, Israel","Ameliorated synthetic methodology for crystalline lanthanoid‒metalloporphyrin open frameworks based on a multitopic octacarboxy-porphyrin scaffold: structural, gas sorption and photophysical properties","CrystEngComm","2016","18","4","515","","10.1039/C5CE02048D","","","0.71073","MoKα","","0.06","0.0523","","","0.1465","0.1497","","","","","","1.124","","","","has coordinates","175945","2020-10-21","18:00:00",""
"7223241","27.4347","0.0011","28.9058","0.0012","13.1157","0.0007","90","","90","","90","","10401","0.8","110","2","110","2","","","","","","","","7","I m m a","-I 2b 2","74","","","","- C52 H34 Eu2 N4 Na2 O21 Zn -","- C52 H34 Eu2 N4 Na2 O21 Zn -","- C208 H136 Eu8 N16 Na8 O84 Zn4 -","4","0.25","","Tripuramallu, Bharat Kumar; Titi, Hatem M.; Roy, Sadipan; Verma, Roli; Goldberg, Israel","Ameliorated synthetic methodology for crystalline lanthanoid‒metalloporphyrin open frameworks based on a multitopic octacarboxy-porphyrin scaffold: structural, gas sorption and photophysical properties","CrystEngComm","2016","18","4","515","","10.1039/C5CE02048D","","","0.71073","MoKα","","0.1227","0.1036","","","0.2823","0.2903","","","","","","1.098","","","","has coordinates","175945","2020-10-21","18:00:00",""
"7223242","18.568","0.007","18.0282","0.0019","9.4188","0.0014","90","","90.35","0.03","90","","3152.9","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","K2MgTh3(MoO4)8","","- K2 Mg Mo8 O32 Th3 -","- K2 Mg Mo8 O32 Th3 -","- K8 Mg4 Mo32 O128 Th12 -","4","0.5","","Xiao, Bin; Schlenz, Hartmut; Bosbach, Dirk; Suleimanov, Evgeny V.; Alekseev, Evgeny V.","The structural effects of alkaline- and rare-earth element incorporation into thorium molybdates","CrystEngComm","2016","18","1","113","","10.1039/C5CE02040A","","","0.71073","MoKα","","0.0222","0.02","","","0.0426","0.0434","","","","","","1.059","","","","has coordinates","175973","2020-10-21","18:00:00",""
"7223243","8.0197","0.001","8.447","0.0017","16.03","0.002","101.55","0.015","102.893","0.012","97.388","0.013","1019.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","K2SrTh2(MoO4)6","","- K2 Mo6 O24 Sr Th2 -","- K2 Mo6 O24 Sr Th2 -","- K4 Mo12 O48 Sr2 Th4 -","2","1","","Xiao, Bin; Schlenz, Hartmut; Bosbach, Dirk; Suleimanov, Evgeny V.; Alekseev, Evgeny V.","The structural effects of alkaline- and rare-earth element incorporation into thorium molybdates","CrystEngComm","2016","18","1","113","","10.1039/C5CE02040A","","","0.71073","MoKα","","0.0893","0.0526","","","0.1129","0.13","","","","","","1.027","","","","has coordinates","175973","2020-10-21","18:00:00",""
"7223244","17.556","0.003","17.556","0.003","6.2713","0.001","90","","90","","120","","1673.9","0.5","293","2","293","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- Mo18 Nd4 O72 Th6 -","- Mo18 Nd4.076 O72 Th6 -","- Mo18 Nd4.076 O72 Th6 -","1","0.0833333","","Xiao, Bin; Schlenz, Hartmut; Bosbach, Dirk; Suleimanov, Evgeny V.; Alekseev, Evgeny V.","The structural effects of alkaline- and rare-earth element incorporation into thorium molybdates","CrystEngComm","2016","18","1","113","","10.1039/C5CE02040A","","","0.71073","MoKα","","0.0914","0.0414","","","0.1117","0.1435","","","","","","1.14","","","","has coordinates","175973","2020-10-21","18:00:00",""
"7223245","18.6792","0.0004","18.0812","0.0005","9.4616","0.0003","90","","90.23","0.002","90","","3195.56","0.15","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Rb2MgTh3(MoO4)8","","- Mg Mo8 O32 Rb2 Th3 -","- Mg Mo8 O32 Rb2 Th3 -","- Mg4 Mo32 O128 Rb8 Th12 -","4","0.5","","Xiao, Bin; Schlenz, Hartmut; Bosbach, Dirk; Suleimanov, Evgeny V.; Alekseev, Evgeny V.","The structural effects of alkaline- and rare-earth element incorporation into thorium molybdates","CrystEngComm","2016","18","1","113","","10.1039/C5CE02040A","","","0.71073","MoKα","","0.0482","0.0342","","","0.0559","0.0611","","","","","","0.996","","","","has coordinates","175973","2020-10-21","18:00:00",""
"7223246","13.3916","0.0002","12.6857","0.0002","23.5448","0.0004","90","","90","","90","","3999.83","0.11","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H19 Cd N3 O6 -","- C20 H19 Cd N3 O6 -","- C160 H152 Cd8 N24 O48 -","8","1","","Bhattacharya, Biswajit; Halder, Arijit; Maity, Dilip Kumar; Ghoshal, Debajyoti","Dynamic metal‒organic frameworks: syntheses, characterizations, sorption studies and their hydrolytic inter-conversion","CrystEngComm","2016","18","22","4074","","10.1039/C5CE01952D","","","0.71073","MoKα","","0.0316","0.0225","","","0.0523","0.057","","","","","","1.037","","","","has coordinates","185172","2020-10-21","18:00:00",""
"7223247","22.4577","0.0011","11.3406","0.0005","12.0773","0.0005","90","","113.556","0.003","90","","2819.6","0.2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H10 Cd N2 O6 -","- C13 H10 Cd N2 O6 -","- C104 H80 Cd8 N16 O48 -","8","1","","Bhattacharya, Biswajit; Halder, Arijit; Maity, Dilip Kumar; Ghoshal, Debajyoti","Dynamic metal‒organic frameworks: syntheses, characterizations, sorption studies and their hydrolytic inter-conversion","CrystEngComm","2016","18","22","4074","","10.1039/C5CE01952D","","","0.71073","MoKα","","0.0266","0.0242","","","0.0613","0.0627","","","","","","1.077","","","","has coordinates,has disorder","185172","2020-10-21","18:00:00",""
"7223263","37.526","0.008","8.8468","0.0018","29.72","0.006","90","","127.61","0.03","90","","7816","4","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C53 H110 N12 Ni2 O29 -","- C53 H104 N12 Ni2 O29 -","- C212 H416 N48 Ni8 O116 -","4","0.5","","Jiang, Xiang; Hu, Kong-Qiu; Kou, Hui-Zhong","Tunable gas adsorption properties of porous coordination polymers by modification of macrocyclic metallic tectons","CrystEngComm","2016","18","22","4084","","10.1039/C5CE01577D","","","0.71073","MoKα","","0.0736","0.0668","","","0.1905","0.1966","","","","","","1.158","","","","has coordinates","185168","2020-10-21","18:00:00",""
"7223264","37.153","0.003","8.9381","0.0008","29.414","0.003","90","","127.964","0.002","90","","7700.8","1.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C57 H110 N12 Ni2 O29 -","- C57 H104 N12 Ni2 O29 -","- C228 H416 N48 Ni8 O116 -","4","0.5","","Jiang, Xiang; Hu, Kong-Qiu; Kou, Hui-Zhong","Tunable gas adsorption properties of porous coordination polymers by modification of macrocyclic metallic tectons","CrystEngComm","2016","18","22","4084","","10.1039/C5CE01577D","","","0.71073","MoKα","","0.1148","0.0674","","","0.1753","0.2088","","","","","","0.998","","","","has coordinates","185168","2020-10-21","18:00:00",""
"7223265","37.352","0.004","8.834","0.001","29.562","0.003","90","","126.838","0.002","90","","7806.9","1.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C61 H120 N12 Ni2 O30 -","- C61 H112 N12 Ni2 O30 -","- C244 H448 N48 Ni8 O120 -","4","0.5","","Jiang, Xiang; Hu, Kong-Qiu; Kou, Hui-Zhong","Tunable gas adsorption properties of porous coordination polymers by modification of macrocyclic metallic tectons","CrystEngComm","2016","18","22","4084","","10.1039/C5CE01577D","","","0.71073","MoKα","","0.1384","0.0619","","","0.1278","0.161","","","","","","0.976","","","","has coordinates","185168","2020-10-21","18:00:00",""
"7223266","11.579","0.002","25.062","0.005","31.421","0.006","90","","90","","90","","9118","3","153","2","153","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C69 H124 N16 Ni2 O26 -","- C57 H76 N12 Ni2 O12 -","- C228 H304 N48 Ni8 O48 -","4","0.5","","Jiang, Xiang; Hu, Kong-Qiu; Kou, Hui-Zhong","Tunable gas adsorption properties of porous coordination polymers by modification of macrocyclic metallic tectons","CrystEngComm","2016","18","22","4084","","10.1039/C5CE01577D","","","0.71073","MoKα","","0.0757","0.0704","","","0.1926","0.1963","","","","","","1.164","","","","has coordinates","185168","2020-10-21","18:00:00",""
"7223267","11.7659","0.0007","25.7333","0.0015","31.1417","0.0019","90","","90","","90","","9428.9","1","173","2","173","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C71 H126 N16 Ni2 O25 -","- C59 H80 N12 Ni2 O12 -","- C236 H320 N48 Ni8 O48 -","4","0.5","","Jiang, Xiang; Hu, Kong-Qiu; Kou, Hui-Zhong","Tunable gas adsorption properties of porous coordination polymers by modification of macrocyclic metallic tectons","CrystEngComm","2016","18","22","4084","","10.1039/C5CE01577D","","","0.71073","MoKα","","0.1565","0.0655","","","0.1803","0.197","","","","","","1.039","","","","has coordinates","185168","2020-10-21","18:00:00",""
"7223268","11.817","0.002","24.76","0.005","32.256","0.007","90","","90","","90","","9438","3","153","2","153","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C61 H124 N12 Ni2 O32 -","- C61 H84 N12 Ni2 O12 -","- C244 H336 N48 Ni8 O48 -","4","0.5","","Jiang, Xiang; Hu, Kong-Qiu; Kou, Hui-Zhong","Tunable gas adsorption properties of porous coordination polymers by modification of macrocyclic metallic tectons","CrystEngComm","2016","18","22","4084","","10.1039/C5CE01577D","","","0.71073","MoKα","","0.1482","0.1202","","","0.3256","0.3528","","","","","","0.962","","","","has coordinates","185168","2020-10-21","18:00:00",""
"7223269","12.0122","0.0008","25.023","0.0018","31.873","0.003","90","","90","","90","","9580.4","1.3","173","2","173","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C63 H124 N12 Ni2 O30 -","- C63 H88 N12 Ni2 O12 -","- C252 H352 N48 Ni8 O48 -","4","0.5","","Jiang, Xiang; Hu, Kong-Qiu; Kou, Hui-Zhong","Tunable gas adsorption properties of porous coordination polymers by modification of macrocyclic metallic tectons","CrystEngComm","2016","18","22","4084","","10.1039/C5CE01577D","","","0.71073","MoKα","","0.129","0.0794","","","0.2384","0.2592","","","","","","0.997","","","","has coordinates","185168","2020-10-21","18:00:00",""
"7223270","18.7966","0.0007","18.7966","0.0007","21.2715","0.0018","90","","90","","90","","7515.5","0.7","173","2","173","2","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C65 H108 N12 Ni2 O16 -","- C65 H108 N12 Ni2 O16 -","- C260 H432 N48 Ni8 O64 -","4","","","Jiang, Xiang; Hu, Kong-Qiu; Kou, Hui-Zhong","Tunable gas adsorption properties of porous coordination polymers by modification of macrocyclic metallic tectons","CrystEngComm","2016","18","22","4084","","10.1039/C5CE01577D","","","0.71073","MoKα","","0.0929","0.0502","","","0.1192","0.1401","","","","","","1.01","","","","has coordinates,has disorder","185168","2020-10-21","18:00:00",""
"7223280","5.4223","0.0003","7.6977","0.0004","25.4353","0.0014","90","","92.75","0.002","90","","1060.43","0.1","105","2","105","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,4-difluoro-N-phenylbenzamide","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C52 H36 F8 N4 O4 -","4","1","","Mondal, Pradip Kumar; Chopra, Deepak","Crystal structure landscape of conformationally flexible organo-fluorine compounds","CrystEngComm","2016","18","1","48","","10.1039/C5CE01721A","","","0.71073","MoKα","","0.0607","0.0474","","","0.1273","0.137","","","","","","1.047","","","","has coordinates","175974","2020-10-21","18:00:00",""
"7223281","9.914","0.004","21.812","0.009","4.923","0.002","90","","90","","90","","1064.6","0.8","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2,6-difluoro-N-phenylbenzamide","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C52 H36 F8 N4 O4 -","4","1","","Mondal, Pradip Kumar; Chopra, Deepak","Crystal structure landscape of conformationally flexible organo-fluorine compounds","CrystEngComm","2016","18","1","48","","10.1039/C5CE01721A","","","0.71073","MoKα","","0.0496","0.0366","","","0.0749","0.0814","","","","","","1.036","","","","has coordinates","175974","2020-10-21","18:00:00",""
"7223282","5.4385","0.0001","7.5939","0.0002","12.8178","0.0003","106.251","0.001","100.337","0.001","90.203","0.001","499.16","0.02","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","3,4-difluoro-N-phenylbenzamide","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C26 H18 F4 N2 O2 -","2","1","","Mondal, Pradip Kumar; Chopra, Deepak","Crystal structure landscape of conformationally flexible organo-fluorine compounds","CrystEngComm","2016","18","1","48","","10.1039/C5CE01721A","","","0.71073","MoKα","","0.0383","0.0365","","","0.0969","0.0987","","","","","","1.032","","","","has coordinates","175974","2020-10-21","18:00:00",""
"7223283","5.13","0.0003","8.8893","0.0005","11.6782","0.0007","101.426","0.003","97.174","0.003","90.881","0.003","517.47","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","3,5-difluoro-N-phenylbenzamide","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C26 H18 F4 N2 O2 -","2","1","","Mondal, Pradip Kumar; Chopra, Deepak","Crystal structure landscape of conformationally flexible organo-fluorine compounds","CrystEngComm","2016","18","1","48","","10.1039/C5CE01721A","","","0.71073","MoKα","","0.0368","0.0346","","","0.0952","0.0976","","","","","","1.042","","","","has coordinates","175974","2020-10-21","18:00:00",""
"7223284","5.0295","0.0002","8.838","0.0004","24.4547","0.0009","90","","90","","90","","1087.03","0.08","115","2","115","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-(2,3-difluorophenyl)-2,3-difluorobenzamide","","- C13 H7 F4 N O -","- C13 H7 F4 N O -","- C52 H28 F16 N4 O4 -","4","1","","Mondal, Pradip Kumar; Chopra, Deepak","Crystal structure landscape of conformationally flexible organo-fluorine compounds","CrystEngComm","2016","18","1","48","","10.1039/C5CE01721A","","","0.71073","MoKα","","0.0489","0.0455","","","0.1285","0.1311","","","","","","1.089","","","","has coordinates","175974","2020-10-21","18:00:00",""
"7223285","9.456","0.003","4.7786","0.0016","24.253","0.008","90","","95.145","0.004","90","","1091.5","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-(2,3-difluorophenyl)-2,4-difluorobenzamide","","- C13 H7 F4 N O -","- C13 H7 F4 N O -","- C52 H28 F16 N4 O4 -","4","1","","Mondal, Pradip Kumar; Chopra, Deepak","Crystal structure landscape of conformationally flexible organo-fluorine compounds","CrystEngComm","2016","18","1","48","","10.1039/C5CE01721A","","","0.71073","MoKα","","0.0345","0.0318","","","0.0816","0.0838","","","","","","1.056","","","","has coordinates","175974","2020-10-21","18:00:00",""
"7223286","4.9918","0.0002","9.361","0.0005","12.0172","0.0006","102.372","0.002","97.44","0.002","90.222","0.002","543.59","0.05","104","2","104","2","","","","","","","","5","P -1","-P 1","2","","N-(2,3-difluorophenyl)-3,4-difluorobenzamide","","- C13 H7 F4 N O -","- C13 H7 F4 N O -","- C26 H14 F8 N2 O2 -","2","1","","Mondal, Pradip Kumar; Chopra, Deepak","Crystal structure landscape of conformationally flexible organo-fluorine compounds","CrystEngComm","2016","18","1","48","","10.1039/C5CE01721A","","","0.71073","MoKα","","0.0516","0.041","","","0.1049","0.1133","","","","","","1.032","","","","has coordinates","175974","2020-10-21","18:00:00",""
"7223287","4.6457","0.0005","5.0544","0.0005","11.8597","0.0013","100.967","0.004","92.076","0.004","92.987","0.004","272.72","0.05","105","2","105","2","","","","","","","","5","P 1","P 1","1","","N-(2,3-difluorophenyl)-3,5-difluorobenzamide","","- C13 H7 F4 N O -","- C13 H7 F4 N O -","- C13 H7 F4 N O -","1","1","","Mondal, Pradip Kumar; Chopra, Deepak","Crystal structure landscape of conformationally flexible organo-fluorine compounds","CrystEngComm","2016","18","1","48","","10.1039/C5CE01721A","","","0.71073","MoKα","","0.0288","0.0277","","","0.0746","0.0756","","","","","","1.059","","","","has coordinates","175974","2020-10-21","18:00:00",""
"7223288","5.535","0.007","5.035","0.006","19.29","0.02","90","","92.048","0.016","90","","537.2","1.1","110","2","110","2","","","","","","","","5","P 1 n 1","P -2yac","7","","N-(2,4-difluorophenyl)benzamide","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C26 H18 F4 N2 O2 -","2","1","","Mondal, Pradip Kumar; Chopra, Deepak","Crystal structure landscape of conformationally flexible organo-fluorine compounds","CrystEngComm","2016","18","1","48","","10.1039/C5CE01721A","","","0.71073","MoKα","","0.0954","0.0808","","","0.231","0.2561","","","","","","1.098","","","","has coordinates,has disorder","175974","2020-10-21","18:00:00",""
"7223289","8.8818","0.0007","4.9233","0.0003","24.9499","0.0018","90","","94.162","0.002","90","","1088.13","0.13","115","2","115","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-(2,4-difluorophenyl)-2,3-difluorobenzamide","","- C13 H7 F4 N O -","- C13 H7 F4 N O -","- C52 H28 F16 N4 O4 -","4","1","","Mondal, Pradip Kumar; Chopra, Deepak","Crystal structure landscape of conformationally flexible organo-fluorine compounds","CrystEngComm","2016","18","1","48","","10.1039/C5CE01721A","","","0.71073","MoKα","","0.063","0.0476","","","0.1275","0.1375","","","","","","1.087","","","","has coordinates","175974","2020-10-21","18:00:00",""
"7223290","24.3084","0.001","5.0243","0.0002","8.4598","0.0004","90","","90","","90","","1033.22","0.08","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","N-(2,5-difluorophenyl)benzamide","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C52 H36 F8 N4 O4 -","4","1","","Mondal, Pradip Kumar; Chopra, Deepak","Crystal structure landscape of conformationally flexible organo-fluorine compounds","CrystEngComm","2016","18","1","48","","10.1039/C5CE01721A","","","0.71073","MoKα","","0.0263","0.0256","","","0.0615","0.062","","","","","","1.111","","","","has coordinates","175974","2020-10-21","18:00:00",""
"7223291","5.4838","0.0002","7.7928","0.0004","12.6887","0.0006","106.682","0.002","98.87","0.001","90.157","0.002","512.57","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","N-(3,4-difluorophenyl)benzamide","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C26 H18 F4 N2 O2 -","2","1","","Mondal, Pradip Kumar; Chopra, Deepak","Crystal structure landscape of conformationally flexible organo-fluorine compounds","CrystEngComm","2016","18","1","48","","10.1039/C5CE01721A","","","0.71073","MoKα","","0.0491","0.0436","","","0.1207","0.1255","","","","","","1.057","","","","has coordinates","175974","2020-10-21","18:00:00",""
"7223292","5.1818","0.0016","8.312","0.003","25.739","0.01","90","","93.172","0.011","90","","1106.9","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-(3,4-difluorophenyl)-2,3-difluorobenzamide","","- C13 H7 F4 N O -","- C13 H7 F4 N O -","- C52 H28 F16 N4 O4 -","4","1","","Mondal, Pradip Kumar; Chopra, Deepak","Crystal structure landscape of conformationally flexible organo-fluorine compounds","CrystEngComm","2016","18","1","48","","10.1039/C5CE01721A","","","0.71073","MoKα","","0.0511","0.0411","","","0.1055","0.112","","","","","","1.052","","","","has coordinates","175974","2020-10-21","18:00:00",""
"7223293","4.9514","0.0004","8.6873","0.0008","25.517","0.002","90","","91.829","0.003","90","","1097.04","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-(3,4-difluorophenyl)-3,5-difluorobenzamide","","- C13 H7 F4 N O -","- C13 H7 F4 N O -","- C52 H28 F16 N4 O4 -","4","1","","Mondal, Pradip Kumar; Chopra, Deepak","Crystal structure landscape of conformationally flexible organo-fluorine compounds","CrystEngComm","2016","18","1","48","","10.1039/C5CE01721A","","","0.71073","MoKα","","0.1032","0.0583","","","0.1332","0.153","","","","","","1.057","","","","has coordinates,has disorder","175974","2020-10-21","18:00:00",""
"7223294","10.179","0.01","5.15","0.005","20.053","0.02","90","","103.924","0.012","90","","1020.3","1.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-(3,5-difluorophenyl)benzamide","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C52 H36 F8 N4 O4 -","4","1","","Mondal, Pradip Kumar; Chopra, Deepak","Crystal structure landscape of conformationally flexible organo-fluorine compounds","CrystEngComm","2016","18","1","48","","10.1039/C5CE01721A","","","0.71073","MoKα","","0.0386","0.0352","","","0.0917","0.094","","","","","","1.076","","","","has coordinates","175974","2020-10-21","18:00:00",""
"7223305","13.836","0.002","13.836","0.002","19.957","0.003","90","","90","","90","","3820.5","1","170","2","170.15","","","","","","","","","5","P 42/n","-P 4bc","86","","","","- C64 H76 N28 O20 Zn4 -","- C64 H76 N28 O20 Zn4 -","- C128 H152 N56 O40 Zn8 -","2","","","Mahmoudi, Ghodrat; Bauzá, Antonio; Rodríguez-Diéguez, Antonio; Garczarek, Piotr; Kaminsky, Werner; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis studies of carbohydrazone based on Zn(ii) complexes","CrystEngComm","2016","18","1","102","","10.1039/C5CE01915J","","","0.71073","MoKα","","0.0524","0.0427","","","0.1123","0.1207","","","","","","1.182","","","","has coordinates","175975","2020-10-21","18:00:00",""
"7223306","13.7479","0.0007","13.6207","0.0007","44.742","0.002","90","","98.226","0.002","90","","8292","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H64 Cl4 N24 O22 Zn4 -","- C60 H56 Cl4 N24 O20 Zn4 -","- C240 H224 Cl16 N96 O80 Zn16 -","4","1","","Mahmoudi, Ghodrat; Bauzá, Antonio; Rodríguez-Diéguez, Antonio; Garczarek, Piotr; Kaminsky, Werner; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis studies of carbohydrazone based on Zn(ii) complexes","CrystEngComm","2016","18","1","102","","10.1039/C5CE01915J","","","0.71073","MoKα","","0.1466","0.0716","","","0.1507","0.1675","","","","","","1.039","","","","has coordinates,has disorder","175975","2020-10-21","18:00:00",""
"7223307","13.39","0.0017","29.716","0.004","21.716","0.003","90","","102.996","0.002","90","","8419.4","1.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H60 N30 O10 S4 Zn5 -","- C64 H60 N30 O10 S4 Zn5 -","- C256 H240 N120 O40 S16 Zn20 -","4","1","","Mahmoudi, Ghodrat; Bauzá, Antonio; Rodríguez-Diéguez, Antonio; Garczarek, Piotr; Kaminsky, Werner; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis studies of carbohydrazone based on Zn(ii) complexes","CrystEngComm","2016","18","1","102","","10.1039/C5CE01915J","","","0.71073","MoKα","","0.0622","0.0447","","","0.1103","0.1168","","","","","","1.053","","","","has coordinates,has disorder","175975","2020-10-21","18:00:00",""
"7223308","11.452","0.0003","12.106","0.0004","13.138","0.0004","115.338","0.003","99.128","0.002","104.707","0.001","1516.01","0.1","292","2","292","2","","","","","","","","6","P -1","-P 1","2","1024G","1024G","","- C21 H26 N10 O3 S4 Zn -","- C21 H26 N10 O3 S4 Zn -","- C42 H52 N20 O6 S8 Zn2 -","2","1","","Mahmoudi, Ghodrat; Bauzá, Antonio; Rodríguez-Diéguez, Antonio; Garczarek, Piotr; Kaminsky, Werner; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis studies of carbohydrazone based on Zn(ii) complexes","CrystEngComm","2016","18","1","102","","10.1039/C5CE01915J","","","0.71073","MoKα","","0.1107","0.042","","","0.0945","0.114","","","","","","0.903","","","","has coordinates","175975","2020-10-21","18:00:00",""
"7223309","13.9941","0.0009","13.9941","0.0009","35.739","0.003","90","","90","","90","","6998.9","0.9","180","2","180","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C60 H60 N30 Na O16 Zn4 -","- C60 H56 N30 O16 Zn4 -","- C240 H224 N120 O64 Zn16 -","4","0.25","","Mahmoudi, Ghodrat; Bauzá, Antonio; Rodríguez-Diéguez, Antonio; Garczarek, Piotr; Kaminsky, Werner; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis studies of carbohydrazone based on Zn(ii) complexes","CrystEngComm","2016","18","1","102","","10.1039/C5CE01915J","","","0.71073","MoKα","","0.0723","0.0483","","","0.1263","0.1356","","","","","","0.997","","","","has coordinates","175975","2020-10-21","18:00:00",""
"7223326","14.442","0.005","22.524","0.005","21.414","0.005","90","","129.598","0.014","90","","5367","3","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 Ag4 Mo12 N14 Na O40 P -","- C18 H10 Ag4 Mo12 N14 Na O40 P -","- C72 H40 Ag16 Mo48 N56 Na4 O160 P4 -","4","1","","Sha, Jing-Quan; Sun, Long-Jiang; Zhu, Pei-Pei; Jiang, Jianzhuang","The first two-fold interpenetrating polyoxometalate-based coordination polymer with helical channels: structure and catalytic activities","CrystEngComm","2016","18","2","283","","10.1039/C5CE02021B","","","0.71069","MoKα","","0.0717","0.0557","","","0.134","0.1444","","","","","","1.063","","","","has coordinates","175940","2020-10-21","18:00:00",""
"7223327","11.543","0.002","11.603","0.002","12.615","0.002","69.352","0.01","63.37","0.01","78.518","0.012","1411.6","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H68 Cu2 N6 O18 P2 -","- C54 H52 Cu2 N6 O14 P2 -","- C54 H52 Cu2 N6 O14 P2 -","1","0.5","","Narang, Shikha; Singh, Udai P.; Venugopalan, P.","Solvent-mediated supramolecular templated assembly of a metal organophosphonate via a crystal‒amorphous‒crystal transformation","CrystEngComm","2016","18","1","54","","10.1039/C5CE01594D","","","0.71073","MoKα","","0.0852","0.0573","","","0.1574","0.1685","","","","","","1.014","","","","has coordinates,has disorder","175978","2020-10-21","18:00:00",""
"7223328","11.129","0.003","14.638","0.004","16.334","0.004","90","","90.251","0.01","90","","2660.9","1.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H56 Cu2 N6 O14 P2 -","- C56 H56 Cu2 N6 O14 P2 -","- C112 H112 Cu4 N12 O28 P4 -","2","0.5","","Narang, Shikha; Singh, Udai P.; Venugopalan, P.","Solvent-mediated supramolecular templated assembly of a metal organophosphonate via a crystal‒amorphous‒crystal transformation","CrystEngComm","2016","18","1","54","","10.1039/C5CE01594D","","","0.71073","MoKα","","0.0718","0.0398","","","0.0835","0.0952","","","","","","1.023","","","","has coordinates,has disorder","175978","2020-10-21","18:00:00",""
"7223329","11.461","0.003","12.537","0.003","14.271","0.003","111.461","0.011","111.204","0.012","92.332","0.013","1743.4","0.8","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H36 Cu N5 O8 P -","- C37 H34 Cu N5 O8 P -","- C74 H68 Cu2 N10 O16 P2 -","2","1","","Narang, Shikha; Singh, Udai P.; Venugopalan, P.","Solvent-mediated supramolecular templated assembly of a metal organophosphonate via a crystal‒amorphous‒crystal transformation","CrystEngComm","2016","18","1","54","","10.1039/C5CE01594D","","","0.71073","MoKα","","0.0726","0.0426","","","0.0975","0.11","","","","","","1.054","","","","has coordinates,has disorder","175978","2020-10-21","18:00:00",""
"7223330","7.2609","0.0007","9.9595","0.001","15.0827","0.0015","73.778","0.005","87.9","0.005","89.707","0.005","1046.56","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H16 Cu N6 O7 -","- C20 H16 Cu N6 O7 -","- C40 H32 Cu2 N12 O14 -","2","1","","Narang, Shikha; Singh, Udai P.; Venugopalan, P.","Solvent-mediated supramolecular templated assembly of a metal organophosphonate via a crystal‒amorphous‒crystal transformation","CrystEngComm","2016","18","1","54","","10.1039/C5CE01594D","","","0.71073","MoKα","","0.0498","0.0418","","","0.1297","0.1396","","","","","","0.983","","","","has coordinates,has disorder","175978","2020-10-21","18:00:00",""
"7223331","31.662","0.016","8.649","0.004","11.434","0.006","90","","102.53","0.05","90","","3057","3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H17 O3 P -","- C17 H17 O3 P -","- C136 H136 O24 P8 -","8","1","","Narang, Shikha; Singh, Udai P.; Venugopalan, P.","Solvent-mediated supramolecular templated assembly of a metal organophosphonate via a crystal‒amorphous‒crystal transformation","CrystEngComm","2016","18","1","54","","10.1039/C5CE01594D","","","0.71073","MoKα","","0.1302","0.0608","","","0.1529","0.175","","","","","","1.008","","","","has coordinates","175978","2020-10-21","18:00:00",""
"7223332","11.3974","0.0012","11.5337","0.0012","12.5848","0.0013","117.067","0.004","101.07","0.004","101.147","0.004","1369.1","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H68 Cu2 N6 O18 P2 -","- C54 H48 Cu2 N6 O14 P2 -","- C54 H48 Cu2 N6 O14 P2 -","1","0.5","","Narang, Shikha; Singh, Udai P.; Venugopalan, P.","Solvent-mediated supramolecular templated assembly of a metal organophosphonate via a crystal‒amorphous‒crystal transformation","CrystEngComm","2016","18","1","54","","10.1039/C5CE01594D","","","0.71073","MoKα","","0.0654","0.0564","","","0.1566","0.161","","","","","","1.147","","","","has coordinates,has disorder","175978","2020-10-21","18:00:00",""
"7223333","5.8102","0.0003","23.9645","0.0013","10.9985","0.0005","90","","98.602","0.005","90","","1514.19","0.13","97.3","","97.3","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H12 F2 N O3 -","- C19 H12 F2 N O3 -","- C76 H48 F8 N4 O12 -","4","1","","Fan, Guoling; Yang, Xiaogang; Liang, Ruizheng; Zhao, Jingwen; Li, Shuzhen; Yan, Dongpeng","Molecular cocrystals of diphenyloxazole with tunable fluorescence, up-conversion emission and dielectric properties","CrystEngComm","2016","18","2","240","","10.1039/C5CE02019K","","","0.71073","MoKα","","0.0567","0.0444","","","0.0958","0.1032","","","","","","1.044","","","","has coordinates","175942","2020-10-21","18:00:00",""
"7223334","4.6752","0.0006","16.257","0.003","19.332","0.005","90","","92.278","0.019","90","","1468.2","0.5","99.3","","99.3","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 Cl2 N2 O6 -","- C36 H24 Cl2 N2 O6 -","- C72 H48 Cl4 N4 O12 -","2","0.5","","Fan, Guoling; Yang, Xiaogang; Liang, Ruizheng; Zhao, Jingwen; Li, Shuzhen; Yan, Dongpeng","Molecular cocrystals of diphenyloxazole with tunable fluorescence, up-conversion emission and dielectric properties","CrystEngComm","2016","18","2","240","","10.1039/C5CE02019K","","","0.71073","MoKα","","0.0803","0.0533","","","0.098","0.1088","","","","","","1.049","","","","has coordinates","175942","2020-10-21","18:00:00",""
"7223335","5.7528","0.0005","22.874","0.008","11.463","0.006","90","","97.874","0.019","90","","1494.2","1","100.1","","100.1","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H22 Br2 F4 N2 O2 -","- C36 H22 Br2 F4 N2 O2 -","- C72 H44 Br4 F8 N4 O4 -","2","0.5","","Fan, Guoling; Yang, Xiaogang; Liang, Ruizheng; Zhao, Jingwen; Li, Shuzhen; Yan, Dongpeng","Molecular cocrystals of diphenyloxazole with tunable fluorescence, up-conversion emission and dielectric properties","CrystEngComm","2016","18","2","240","","10.1039/C5CE02019K","","","0.71073","MoKα","","0.0561","0.0425","","","0.0886","0.0941","","","","","","1.052","","","","has coordinates","175942","2020-10-21","18:00:00",""
"7223336","21.3375","0.0018","5.7007","0.0009","23.102","0.003","90","","90","","90","","2810.1","0.6","99.7","","99.7","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C36 H28 N2 O4 -","- C36 H28 N2 O4 -","- C144 H112 N8 O16 -","4","1","","Fan, Guoling; Yang, Xiaogang; Liang, Ruizheng; Zhao, Jingwen; Li, Shuzhen; Yan, Dongpeng","Molecular cocrystals of diphenyloxazole with tunable fluorescence, up-conversion emission and dielectric properties","CrystEngComm","2016","18","2","240","","10.1039/C5CE02019K","","","0.71073","MoKα","","0.1431","0.0809","","","0.1046","0.1309","","","","","","1.011","","","","has coordinates","175942","2020-10-21","18:00:00",""
"7223337","7.8092","0.0007","12.7602","0.0016","19.323","0.002","97.533","0.01","92.737","0.009","107.448","0.009","1813.3","0.4","99.7","","99.7","","","","","","","","","6","P -1","-P 1","2","","","","- C39 H11 Br4 F16 N O -","- C39 H11 Br4 F16 N O -","- C78 H22 Br8 F32 N2 O2 -","2","1","","Fan, Guoling; Yang, Xiaogang; Liang, Ruizheng; Zhao, Jingwen; Li, Shuzhen; Yan, Dongpeng","Molecular cocrystals of diphenyloxazole with tunable fluorescence, up-conversion emission and dielectric properties","CrystEngComm","2016","18","2","240","","10.1039/C5CE02019K","","","0.71073","MoKα","","0.0743","0.0521","","","0.0915","0.0992","","","","","","1.093","","","","has coordinates","175942","2020-10-21","18:00:00",""
"7223338","12.2337","0.0011","9.5487","0.0008","13.0666","0.0013","90","","90","","90","","1526.4","0.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H7 Ag N2 -","- C8 H7 Ag N2 -","- C64 H56 Ag8 N16 -","8","1","","Liu, Liyang; Wen, Tian; Fu, Wen-Qiang; Liu, Min; Chen, Shumei; Zhang, Jian","Structure-dependent mechanochromism of two Ag(i) imidazolate chains","CrystEngComm","2016","18","2","218","","10.1039/C5CE01852H","","","0.71073","MoKα","","0.041","0.0334","","","0.0569","0.0597","","","","","","1.194","","","","has coordinates","175943","2020-10-21","18:00:00",""
"7223339","20.633","0.004","20.797","0.004","16.615","0.003","90","","91.842","0.004","90","","7126","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H36 Ag4 N8 -","- C36 H36 Ag4 N8 -","- C288 H288 Ag32 N64 -","8","1","","Liu, Liyang; Wen, Tian; Fu, Wen-Qiang; Liu, Min; Chen, Shumei; Zhang, Jian","Structure-dependent mechanochromism of two Ag(i) imidazolate chains","CrystEngComm","2016","18","2","218","","10.1039/C5CE01852H","","","0.71073","MoKα","","0.027","0.0231","","","0.0781","0.0829","","","","","","0.664","","","","has coordinates","175943","2020-10-21","18:00:00",""
"7223344","7.65","0.009","7.943","0.008","18.15","0.02","90","","92.26","0.02","90","","1102","2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H11 Cl N2 O2 -","- C10 H11 Cl N2 O2 -","- C40 H44 Cl4 N8 O8 -","4","1","","Tarai, Arup; Baruah, Jubaraj B.","Oxime synthons in the salts and cocrystals of quinoline-4-carbaldoxime for non-covalent synthesis","CrystEngComm","2016","18","2","298","","10.1039/C5CE02029H","","","0.71073","MoKα","","0.102","0.0414","","","0.0671","0.0787","","","","","","1.027","","","","has coordinates","175941","2020-10-21","18:00:00",""
"7223345","7.9402","0.0007","8.1717","0.0008","8.8975","0.0008","70.343","0.006","89.333","0.006","72.343","0.006","515.42","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H9 N3 O4 -","- C10 H9 N3 O4 -","- C20 H18 N6 O8 -","2","1","","Tarai, Arup; Baruah, Jubaraj B.","Oxime synthons in the salts and cocrystals of quinoline-4-carbaldoxime for non-covalent synthesis","CrystEngComm","2016","18","2","298","","10.1039/C5CE02029H","","","0.71073","MoKα","","0.0371","0.0324","","","0.1109","0.1193","","","","","","0.87","","","","has coordinates","175941","2020-10-21","18:00:00",""
"7223346","4.9838","0.0002","9.8417","0.0004","10.3031","0.0005","100.059","0.003","100.517","0.003","91.372","0.003","488.42","0.04","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H9 N2 O3 -","- C11 H9 N2 O3 -","- C22 H18 N4 O6 -","2","1","","Tarai, Arup; Baruah, Jubaraj B.","Oxime synthons in the salts and cocrystals of quinoline-4-carbaldoxime for non-covalent synthesis","CrystEngComm","2016","18","2","298","","10.1039/C5CE02029H","","","0.71073","MoKα","","0.0459","0.0391","","","0.1255","0.1339","","","","","","1.039","","","","has coordinates","175941","2020-10-21","18:00:00",""
"7223347","5.3961","0.0007","9.4163","0.0013","13.6395","0.0017","75.67","0.009","89.392","0.009","80.448","0.008","661.83","0.15","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H12 N2 O5 -","- C14 H12 N2 O5 -","- C28 H24 N4 O10 -","2","1","","Tarai, Arup; Baruah, Jubaraj B.","Oxime synthons in the salts and cocrystals of quinoline-4-carbaldoxime for non-covalent synthesis","CrystEngComm","2016","18","2","298","","10.1039/C5CE02029H","","","0.71073","MoKα","","0.0733","0.0488","","","0.1315","0.1469","","","","","","1.017","","","","has coordinates","175941","2020-10-21","18:00:00",""
"7223348","12.7021","0.0005","5.0401","0.0002","19.1216","0.0008","90","","98.951","0.003","90","","1209.25","0.09","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 N2 O3 -","- C13 H13 N2 O3 -","- C52 H52 N8 O12 -","4","1","","Tarai, Arup; Baruah, Jubaraj B.","Oxime synthons in the salts and cocrystals of quinoline-4-carbaldoxime for non-covalent synthesis","CrystEngComm","2016","18","2","298","","10.1039/C5CE02029H","","","0.71073","MoKα","","0.0678","0.0447","","","0.1249","0.1415","","","","","","1.026","","","","has coordinates","175941","2020-10-21","18:00:00",""
"7223349","12.7915","0.0005","5.0009","0.0002","16.4829","0.0007","90","","90.926","0.003","90","","1054.26","0.07","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 N2 O3 -","- C12 H11 N2 O3 -","- C48 H44 N8 O12 -","4","1","","Tarai, Arup; Baruah, Jubaraj B.","Oxime synthons in the salts and cocrystals of quinoline-4-carbaldoxime for non-covalent synthesis","CrystEngComm","2016","18","2","298","","10.1039/C5CE02029H","","","0.71073","MoKα","","0.0654","0.0436","","","0.126","0.1408","","","","","","1.034","","","","has coordinates","175941","2020-10-21","18:00:00",""
"7223350","12.6838","0.0012","5.0451","0.0005","16.3375","0.0016","90","","90.201","0.007","90","","1045.45","0.18","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 N2 O3 -","- C12 H10 N2 O3 -","- C48 H40 N8 O12 -","4","1","","Tarai, Arup; Baruah, Jubaraj B.","Oxime synthons in the salts and cocrystals of quinoline-4-carbaldoxime for non-covalent synthesis","CrystEngComm","2016","18","2","298","","10.1039/C5CE02029H","","","0.71073","MoKα","","0.0618","0.0427","","","0.1191","0.1314","","","","","","1.051","","","","has coordinates","175941","2020-10-21","18:00:00",""
"7223351","7.8758","0.0007","9.1877","0.001","11.3427","0.0008","112.883","0.008","91.057","0.007","105.877","0.009","720.07","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H17 Co N O8 -","- C11 H17 Co N O8 -","- C22 H34 Co2 N2 O16 -","2","1","","Chisca, Diana; Croitor, Lilia; Petuhov, Oleg; Coropceanu, Eduard B.; Fonari, Marina S.","MOF-71 as a degradation product in single crystal to single crystal transformation of new three-dimensional Co(ii) 1,4-benzenedicarboxylate","CrystEngComm","2016","18","1","38","","10.1039/C5CE02094H","","","0.71073","MoKα","","0.0672","0.0446","","","0.0849","0.0954","","","","","","0.992","","","","has coordinates","175980","2020-10-21","18:00:00",""
"7223352","19.228","0.005","7.24","0.004","8.874","0.004","90","","90","","90","","1235.4","0.9","293","2","293","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C11 H11 Co N O5 -","- C11 H4 Co N O5 -","- C44 H16 Co4 N4 O20 -","4","0.25","","Chisca, Diana; Croitor, Lilia; Petuhov, Oleg; Coropceanu, Eduard B.; Fonari, Marina S.","MOF-71 as a degradation product in single crystal to single crystal transformation of new three-dimensional Co(ii) 1,4-benzenedicarboxylate","CrystEngComm","2016","18","1","38","","10.1039/C5CE02094H","","","0.71073","MoKα","","0.2033","0.1264","","","0.2807","0.33","","","","","","0.991","","","","has coordinates","175980","2020-10-21","18:00:00",""
"7223353","27.3644","0.0003","13.4467","0.0001","28.0955","0.0003","90","","94.042","0.001","90","","10312.3","0.18","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C50 H54 F3 I3 N6 O2 S2 -","- C50 H54 F3 I3 N6 O2 S2 -","- C400 H432 F24 I24 N48 O16 S16 -","8","1","","Hidalgo, Paulina I.; Leal, Sergio; Jiménez, Claudio A.; Vöhringer-Martinez, Esteban; Herrera, Bárbara; Pasán, Jorge; Ruiz-Pérez, Catalina; Bruce, Duncan W.","Extending the halogen-bonded supramolecular synthon concept to 1,3,4-oxadiazole derivatives","CrystEngComm","2016","18","1","42","","10.1039/C5CE02154E","","","1.5418","CuKα","","0.0468","0.0412","","","0.1046","0.1108","","","","","","1.052","","","","has coordinates","175979","2020-10-21","18:00:00",""
"7223354","10.4878","0.001","12.3896","0.0011","12.7932","0.0012","78.982","0.008","82.201","0.008","81.597","0.008","1604.2","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H29 F3 I3 N3 O2 -","- C29 H29 F3 I3 N3 O2 -","- C58 H58 F6 I6 N6 O4 -","2","1","","Hidalgo, Paulina I.; Leal, Sergio; Jiménez, Claudio A.; Vöhringer-Martinez, Esteban; Herrera, Bárbara; Pasán, Jorge; Ruiz-Pérez, Catalina; Bruce, Duncan W.","Extending the halogen-bonded supramolecular synthon concept to 1,3,4-oxadiazole derivatives","CrystEngComm","2016","18","1","42","","10.1039/C5CE02154E","","","1.54184","CuKα","","0.1489","0.141","","","0.3318","0.3535","","","","","","1.277","","","","has coordinates","175979","2020-10-21","18:00:00",""
"7223355","9.5328","0.0003","11.9482","0.0003","13.9164","0.0003","82.274","0.002","85.796","0.002","87.527","0.002","1565.57","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H27 F3 I3 N3 O2 -","- C28 H27 F3 I3 N3 O2 -","- C56 H54 F6 I6 N6 O4 -","2","1","","Hidalgo, Paulina I.; Leal, Sergio; Jiménez, Claudio A.; Vöhringer-Martinez, Esteban; Herrera, Bárbara; Pasán, Jorge; Ruiz-Pérez, Catalina; Bruce, Duncan W.","Extending the halogen-bonded supramolecular synthon concept to 1,3,4-oxadiazole derivatives","CrystEngComm","2016","18","1","42","","10.1039/C5CE02154E","","","1.54184","CuKα","","0.0593","0.056","","","0.158","0.164","","","","","","1.08","","","","has coordinates","175979","2020-10-21","18:00:00",""
"7223356","9.5563","0.0003","11.4823","0.0003","14.152","0.0004","99.118","0.002","92.177","0.002","92.289","0.002","1530.48","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H25 F3 I3 N3 O2 -","- C27 H25 F3 I3 N3 O2 -","- C54 H50 F6 I6 N6 O4 -","2","1","","Hidalgo, Paulina I.; Leal, Sergio; Jiménez, Claudio A.; Vöhringer-Martinez, Esteban; Herrera, Bárbara; Pasán, Jorge; Ruiz-Pérez, Catalina; Bruce, Duncan W.","Extending the halogen-bonded supramolecular synthon concept to 1,3,4-oxadiazole derivatives","CrystEngComm","2016","18","1","42","","10.1039/C5CE02154E","","","1.54184","CuKα","","0.0374","0.0347","","","0.0879","0.0913","","","","","","1.04","","","","has coordinates","175979","2020-10-21","18:00:00",""
"7223357","10.0662","0.0002","14.4987","0.0003","20.6364","0.0005","82.22","0.002","81.567","0.002","89.177","0.002","2951.78","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H23 F3 I3 N3 O2 -","- C26 H23 F3 I3 N3 O2 -","- C104 H92 F12 I12 N12 O8 -","4","2","","Hidalgo, Paulina I.; Leal, Sergio; Jiménez, Claudio A.; Vöhringer-Martinez, Esteban; Herrera, Bárbara; Pasán, Jorge; Ruiz-Pérez, Catalina; Bruce, Duncan W.","Extending the halogen-bonded supramolecular synthon concept to 1,3,4-oxadiazole derivatives","CrystEngComm","2016","18","1","42","","10.1039/C5CE02154E","","","1.54184","CuKα","","0.0684","0.0577","","","0.1536","0.1694","","","","","","1.024","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7223358","9.0898","0.0005","12.7927","0.0008","13.8531","0.0007","114.273","0.006","98.513","0.005","100.445","0.005","1398.93","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H21 F3 I3 N3 O2 -","- C25 H21 F3 I3 N3 O2 -","- C50 H42 F6 I6 N6 O4 -","2","1","","Hidalgo, Paulina I.; Leal, Sergio; Jiménez, Claudio A.; Vöhringer-Martinez, Esteban; Herrera, Bárbara; Pasán, Jorge; Ruiz-Pérez, Catalina; Bruce, Duncan W.","Extending the halogen-bonded supramolecular synthon concept to 1,3,4-oxadiazole derivatives","CrystEngComm","2016","18","1","42","","10.1039/C5CE02154E","","","1.54184","CuKα","","0.094","0.0822","","","0.224","0.2568","","","","","","1.037","","","","has coordinates","175979","2020-10-21","18:00:00",""
"7223359","13.1874","0.0008","11.9065","0.0008","19.8014","0.0013","90","","100.142","0.002","90","","3060.6","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 Cl2 Cu2 N12 O8 -","- C24 H22 Cl2 Cu2 N12 O8 -","- C96 H88 Cl8 Cu8 N48 O32 -","4","1","","Barros, Wdeson P.; Luisa Calatayud, M.; Lloret, Francesc; Julve, Miguel; Marino, Nadia; De Munno, Giovanni; Stumpf, Humberto O.; Ruiz-García, Rafael; Castro, Isabel","Self-assembly, binding ability and magnetic properties of dicopper(ii) pyrazolenophanes","CrystEngComm","2016","18","3","437","","10.1039/C5CE02058A","","","0.71073","MoKα","","0.0474","0.0359","","","0.0889","0.0964","","","","","","1.035","","","","has coordinates,has disorder","175950","2020-10-21","18:00:00",""
"7223360","12.6355","0.0004","41.3258","0.0013","20.8981","0.0007","90","","90","","90","","10912.4","0.6","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C90 H82 Cl6 Cu6 N24 O32 -","- C90 H70 Cl5 Cu6 N24 O22 -","- C360 H280 Cl20 Cu24 N96 O88 -","4","0.5","","Barros, Wdeson P.; Luisa Calatayud, M.; Lloret, Francesc; Julve, Miguel; Marino, Nadia; De Munno, Giovanni; Stumpf, Humberto O.; Ruiz-García, Rafael; Castro, Isabel","Self-assembly, binding ability and magnetic properties of dicopper(ii) pyrazolenophanes","CrystEngComm","2016","18","3","437","","10.1039/C5CE02058A","","","0.71073","MoKα","","0.0808","0.0503","","","0.1401","0.1658","","","","","","1.077","","","","has coordinates,has disorder","175950","2020-10-21","18:00:00",""
"7223361","8.497","0.002","25.544","0.007","18.675","0.005","90","","90","","90","","4053.4","1.8","296","2","296","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C36 H37 Cl2 Cu2 N9 O10 -","- C36 H37 Cl2 Cu2 N9 O10 -","- C144 H148 Cl8 Cu8 N36 O40 -","4","0.5","","Barros, Wdeson P.; Luisa Calatayud, M.; Lloret, Francesc; Julve, Miguel; Marino, Nadia; De Munno, Giovanni; Stumpf, Humberto O.; Ruiz-García, Rafael; Castro, Isabel","Self-assembly, binding ability and magnetic properties of dicopper(ii) pyrazolenophanes","CrystEngComm","2016","18","3","437","","10.1039/C5CE02058A","","","0.71073","MoKα","","0.0874","0.0632","","","0.1933","0.2132","","","","","","1.098","","","","has coordinates,has disorder","175950","2020-10-21","18:00:00",""
"7223362","13.841","0.0013","8.0261","0.0008","39.946","0.003","90","","96.565","0.004","90","","4408.5","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H44 Cl2 Cu2 N10 O8 -","- C42 H44 Cl2 Cu2 N10 O8 -","- C168 H176 Cl8 Cu8 N40 O32 -","4","1","","Barros, Wdeson P.; Luisa Calatayud, M.; Lloret, Francesc; Julve, Miguel; Marino, Nadia; De Munno, Giovanni; Stumpf, Humberto O.; Ruiz-García, Rafael; Castro, Isabel","Self-assembly, binding ability and magnetic properties of dicopper(ii) pyrazolenophanes","CrystEngComm","2016","18","3","437","","10.1039/C5CE02058A","","","0.71073","MoKα","","0.1523","0.0825","","","0.2243","0.2595","","","","","","1.122","","","","has coordinates,has disorder","175950","2020-10-21","18:00:00",""
"7223369","13.029","0.003","9.107","0.002","13.565","0.003","90","","116.569","0.004","90","","1439.6","0.6","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H30 N2 O11 -","- C30 H30 N2 O11 -","- C60 H60 N4 O22 -","2","1","","Kodama, Koichi; Morita, Yuya; Sekine, Eriko; Hirose, Takuji","A systematic study on ternary inclusion crystals consisting of dianilines and three positional isomers of ditoluoyl-l-tartaric acid","CrystEngComm","2016","18","1","123","","10.1039/C5CE01769F","","","0.71073","MoKα","","0.0549","0.0459","","","0.1026","0.1109","","","","","","1.142","","","","has coordinates","175977","2020-10-21","18:00:00",""
"7223370","13.604","0.002","9.974","0.002","13.84","0.003","90","","119.099","0.004","90","","1640.9","0.5","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C33 H38 N2 O11 -","- C33 H38 N2 O11 -","- C66 H76 N4 O22 -","2","0.5","","Kodama, Koichi; Morita, Yuya; Sekine, Eriko; Hirose, Takuji","A systematic study on ternary inclusion crystals consisting of dianilines and three positional isomers of ditoluoyl-l-tartaric acid","CrystEngComm","2016","18","1","123","","10.1039/C5CE01769F","","","0.71073","MoKα","","0.0394","0.0369","","","0.0972","0.1004","","","","","","1.029","","","","has coordinates","175977","2020-10-21","18:00:00",""
"7223371","13.524","0.002","9.9285","0.0016","13.891","0.003","90","","118.817","0.0019","90","","1634.2","0.5","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C32 H36 N2 O12 -","- C32 H36 N2 O12 -","- C64 H72 N4 O24 -","2","0.5","","Kodama, Koichi; Morita, Yuya; Sekine, Eriko; Hirose, Takuji","A systematic study on ternary inclusion crystals consisting of dianilines and three positional isomers of ditoluoyl-l-tartaric acid","CrystEngComm","2016","18","1","123","","10.1039/C5CE01769F","","","0.71073","MoKα","","0.0286","0.028","","","0.0777","0.0784","","","","","","1.049","","","","has coordinates","175977","2020-10-21","18:00:00",""
"7223372","16.286","0.007","22.708","0.009","7.95","0.003","90","","115.707","0.005","90","","2649.1","1.8","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C28.5 H30 N O8.5 -","- C28.5 H25 N O8.5 -","- C114 H100 N4 O34 -","4","1","","Kodama, Koichi; Morita, Yuya; Sekine, Eriko; Hirose, Takuji","A systematic study on ternary inclusion crystals consisting of dianilines and three positional isomers of ditoluoyl-l-tartaric acid","CrystEngComm","2016","18","1","123","","10.1039/C5CE01769F","","","0.71073","MoKα","","0.0843","0.0667","","","0.1704","0.1885","","","","","","1.038","","","","has coordinates","175977","2020-10-21","18:00:00",""
"7223373","7.7919","0.0013","21.208","0.004","24.416","0.004","90","","90","","90","","4034.8","1.2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C40 H52 N2 O12 -","- C40 H39 N2 O12 -","- C160 H156 N8 O48 -","4","1","","Kodama, Koichi; Morita, Yuya; Sekine, Eriko; Hirose, Takuji","A systematic study on ternary inclusion crystals consisting of dianilines and three positional isomers of ditoluoyl-l-tartaric acid","CrystEngComm","2016","18","1","123","","10.1039/C5CE01769F","","","0.71073","MoKα","","0.1291","0.0853","","","0.2202","0.2477","","","","","","1.033","","","","has coordinates,has disorder","175977","2020-10-21","18:00:00",""
"7223374","28.639","0.005","28.639","0.005","7.8757","0.0015","90","","90","","90","","6460","2","200","2","200","2","","","","","","","","4","I 41","I 4bw","80","","","","- C33 H32 N2 O8 -","- C33 H32 N2 O8 -","- C264 H256 N16 O64 -","8","1","","Kodama, Koichi; Morita, Yuya; Sekine, Eriko; Hirose, Takuji","A systematic study on ternary inclusion crystals consisting of dianilines and three positional isomers of ditoluoyl-l-tartaric acid","CrystEngComm","2016","18","1","123","","10.1039/C5CE01769F","","","0.71073","MoKα","","0.1124","0.0547","","","0.1313","0.1503","","","","","","0.91","","","","has coordinates","175977","2020-10-21","18:00:00",""
"7223375","7.7836","0.0008","22.234","0.002","24.89","0.003","90","","90","","90","","4307.5","0.8","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H54 N2 O11 -","- C42 H42 N2 O11 -","- C168 H168 N8 O44 -","4","1","","Kodama, Koichi; Morita, Yuya; Sekine, Eriko; Hirose, Takuji","A systematic study on ternary inclusion crystals consisting of dianilines and three positional isomers of ditoluoyl-l-tartaric acid","CrystEngComm","2016","18","1","123","","10.1039/C5CE01769F","","","0.71073","MoKα","","0.0954","0.0719","","","0.1966","0.2087","","","","","","1.028","","","","has coordinates,has disorder","175977","2020-10-21","18:00:00",""
"7223396","6.4499","0.0003","19.1637","0.0008","8.0685","0.0003","90","","96.557","0.002","90","","990.77","0.07","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Magnesiumcarboxylate","","","- C6 H7 Mg1.5 O7 S -","- C6 H7 Mg1.5 O7 S -","- C24 H28 Mg6 O28 S4 -","4","1","","M., Prabu; Asha, K. S.; Sinha, Mekhola; Poduval, Anamika; Mandal, Sukhendu","The structural diversity, band gap energy and photoluminescence properties of thiophenedicarboxylate based coordination polymers","CrystEngComm","2016","18","4","536","","10.1039/C5CE01886B","","","0.71073","MoKα","","0.0564","0.0392","","","0.1014","0.1207","","","","","","1.166","","","","has coordinates","175944","2020-10-21","18:00:00",""
"7223397","9.6615","0.0003","10.49","0.0003","11.9404","0.0003","110.295","0.001","91.875","0.001","114.86","0.001","1006.93","0.05","298","2","298","2","","","","","","","","6","P -1","-P 1","2","Magnesiumcarboxylate","","","- C14 H4 Mg1.5 N O8 S2 -","- C14 H4 Mg1.5 N O8 S2 -","- C28 H8 Mg3 N2 O16 S4 -","2","1","","M., Prabu; Asha, K. S.; Sinha, Mekhola; Poduval, Anamika; Mandal, Sukhendu","The structural diversity, band gap energy and photoluminescence properties of thiophenedicarboxylate based coordination polymers","CrystEngComm","2016","18","4","536","","10.1039/C5CE01886B","","","0.71073","MoKα","","0.0633","0.0522","","","0.1735","0.1859","","","","","","1.122","","","","has coordinates","175944","2020-10-21","18:00:00",""
"7223398","34.681","0.003","15.3678","0.0013","13.7141","0.001","90","","112.169","0.004","90","","6768.9","1","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Zinccarboxylate","","","- C27 H16 N3 O8.5 S2 Zn2 -","- C27 H16 N3 O8.5 S2 Zn2 -","- C216 H128 N24 O68 S16 Zn16 -","8","1","","M., Prabu; Asha, K. S.; Sinha, Mekhola; Poduval, Anamika; Mandal, Sukhendu","The structural diversity, band gap energy and photoluminescence properties of thiophenedicarboxylate based coordination polymers","CrystEngComm","2016","18","4","536","","10.1039/C5CE01886B","","","0.71073","MoKα","","0.074","0.0518","","","0.1851","0.2113","","","","","","1.087","","","","has coordinates","175944","2020-10-21","18:00:00",""
"7223399","10.0483","0.0002","13.4969","0.0003","16.7346","0.0004","90","","93.683","0.001","90","","2264.87","0.09","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Magnesiumcarboxylate","","","- C18 H18 Mg2 N2 O10 S2 -","- C18 H18 Mg2 N2 O10 S2 -","- C72 H72 Mg8 N8 O40 S8 -","4","1","","M., Prabu; Asha, K. S.; Sinha, Mekhola; Poduval, Anamika; Mandal, Sukhendu","The structural diversity, band gap energy and photoluminescence properties of thiophenedicarboxylate based coordination polymers","CrystEngComm","2016","18","4","536","","10.1039/C5CE01886B","","","0.71073","MoKα","","0.0803","0.0511","","","0.1339","0.1471","","","","","","1.039","","","","has coordinates","175944","2020-10-21","18:00:00",""
"7223400","13.5642","0.0013","13.5642","0.0013","15.6425","0.0012","90","","90","","90","","2878","0.4","298","2","298","2","","","","","","","","6","P 43 2 2","P 4cw 2c","95","Indiumcarboxylate","","","- C7 H2 In0.5 N0.5 O4 S -","- C7 H2 In0.5 N0.5 O4 S -","- C56 H16 In4 N4 O32 S8 -","8","1","","M., Prabu; Asha, K. S.; Sinha, Mekhola; Poduval, Anamika; Mandal, Sukhendu","The structural diversity, band gap energy and photoluminescence properties of thiophenedicarboxylate based coordination polymers","CrystEngComm","2016","18","4","536","","10.1039/C5CE01886B","","","0.71073","MoKα","","0.053","0.0364","","","0.0959","0.1043","","","","","","1.071","","","","has coordinates","175944","2020-10-21","18:00:00",""
"7223403","13.6976","0.0007","16.1004","0.0008","14.1055","0.0007","90","","92.642","0.002","90","","3107.5","0.3","100","2","100.01","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C39 H72 Br12 N6 S4 Zn -","- C39 H72 Br12 N6 S4 Zn -","- C78 H144 Br24 N12 S8 Zn2 -","2","1","","Rosokha, Sergiy V.; Stern, Charlotte L.; Vinakos, Michael K.","From single-point to three-point halogen bonding between zinc(ii) tetrathiocyanate and tetrabromomethane","CrystEngComm","2016","18","3","488","","10.1039/C5CE02125A","","","0.71073","MoKα","","0.069","0.0395","","","0.0816","0.0851","","","","","","1.03","","","","has coordinates","175952","2020-10-21","18:00:00",""
"7223404","12.3714","0.0003","13.3655","0.0002","37.5272","0.0006","90","","90","","90","","6205.1","0.2","100","2","100","2","","","","","","","","7","P n n n","-P 2ab 2bc","48","","","","- C114 H124 Gd2 N2 O47 P2 S8 -","- C114 H124 Gd2 N2 O47 P2 S8 -","- C228 H248 Gd4 N4 O94 P4 S16 -","2","","","Ling, Irene; Sobolev, Alexandre N.; Raston, Colin L.","Gadolinium(iii)-mediated multi-component confinement of imidazolium cations in p-sulfonated calix[4]arene","CrystEngComm","2016","18","26","4929","","10.1039/C5CE01920F","","","1.54178","CuKα","","0.1218","0.1027","","","0.2818","0.2968","","","","","","1.042","","","","has coordinates,has disorder","185199","2020-10-21","18:00:00",""
"7223405","17.4699","0.0008","18.0265","0.0007","23.3461","0.0009","102.788","0.003","96.123","0.003","118.576","0.004","6099.4","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C167 H195 N2 O60 P4 S8 -","- C167 H136 N2 O60.0002 P4 S8 -","- C167 H136 N2 O60.0002 P4 S8 -","1","0.5","","Ling, Irene; Sobolev, Alexandre N.; Raston, Colin L.","Gadolinium(iii)-mediated multi-component confinement of imidazolium cations in p-sulfonated calix[4]arene","CrystEngComm","2016","18","26","4929","","10.1039/C5CE01920F","","","1.54178","CuKα","","0.2438","0.1719","","","0.4089","0.4396","","","","","","1.019","","","","has coordinates,has disorder","185199","2020-10-21","18:00:00",""
"7223406","10.4708","0.0006","10.5478","0.0006","11.0342","0.0006","72.783","0.005","75.786","0.005","70.243","0.005","1081.09","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H22 I O P -","- C25 H22 I O P -","- C50 H44 I2 O2 P2 -","2","1","","Ling, Irene; Sobolev, Alexandre N.; Raston, Colin L.","Gadolinium(iii)-mediated multi-component confinement of imidazolium cations in p-sulfonated calix[4]arene","CrystEngComm","2016","18","26","4929","","10.1039/C5CE01920F","","","1.54178","CuKα","","0.0458","0.0407","","","0.0978","0.1015","","","","","","1","","","","has coordinates","185199","2020-10-21","18:00:00",""
"7223407","11.178","0.011","10.166","0.01","12.216","0.012","90","","90","","90","","1388","2","358","2","358","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C7 H15 Cl5 Co N2 -","- C7 H15 Cl5 Co N2 -","- C28 H60 Cl20 Co4 N8 -","4","0.5","","Chen, Chun-Hong; Xu, Guan-Cheng","Synthesis, characterization and disorder‒order phase transition of inorganic‒organic hybrid materials (H2dabco-CH2-Cl)[MIICl4] (M = Co, Zn)","CrystEngComm","2016","18","4","550","","10.1039/C5CE02059J","","","0.71073","MoKα","","0.0339","0.0302","","","0.0758","0.0789","","","","","","1.02","","","","has coordinates,has disorder","175947","2020-10-21","18:00:00",""
"7223408","10.0525","0.0019","12.081","0.002","11.042","0.002","90","","91.329","0.003","90","","1340.6","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H15 Cl5 Co N2 -","- C7 H15 Cl5 Co N2 -","- C28 H60 Cl20 Co4 N8 -","4","1","","Chen, Chun-Hong; Xu, Guan-Cheng","Synthesis, characterization and disorder‒order phase transition of inorganic‒organic hybrid materials (H2dabco-CH2-Cl)[MIICl4] (M = Co, Zn)","CrystEngComm","2016","18","4","550","","10.1039/C5CE02059J","","","0.71073","MoKα","","0.0209","0.0199","","","0.049","0.0495","","","","","","1.033","","","","has coordinates","175947","2020-10-21","18:00:00",""
"7223409","11.19","0.006","10.204","0.006","12.278","0.007","90","","90","","90","","1401.9","1.4","363","2","363","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C7 H15 Cl5 N2 Zn -","- C7 H15 Cl5 N2 Zn -","- C28 H60 Cl20 N8 Zn4 -","4","0.5","","Chen, Chun-Hong; Xu, Guan-Cheng","Synthesis, characterization and disorder‒order phase transition of inorganic‒organic hybrid materials (H2dabco-CH2-Cl)[MIICl4] (M = Co, Zn)","CrystEngComm","2016","18","4","550","","10.1039/C5CE02059J","","","0.71073","MoKα","","0.0316","0.0276","","","0.0646","0.0669","","","","","","1.012","","","","has coordinates,has disorder","175947","2020-10-21","18:00:00",""
"7223410","10.0664","0.0017","12.075","0.002","11.0158","0.0019","90","","91.262","0.002","90","","1338.7","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H15 Cl5 N2 Zn -","- C7 H15 Cl5 N2 Zn -","- C28 H60 Cl20 N8 Zn4 -","4","1","","Chen, Chun-Hong; Xu, Guan-Cheng","Synthesis, characterization and disorder‒order phase transition of inorganic‒organic hybrid materials (H2dabco-CH2-Cl)[MIICl4] (M = Co, Zn)","CrystEngComm","2016","18","4","550","","10.1039/C5CE02059J","","","0.71073","MoKα","","0.0409","0.0404","","","0.149","0.1494","","","","","","1.059","","","","has coordinates","175947","2020-10-21","18:00:00",""
"7223436","15.4414","0.0015","10.9156","0.0011","14.596","0.0014","90","","90","","90","","2460.2","0.4","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H32 Ni2 O18 -","- C18 H29 Ni2 O18 -","- C72 H116 Ni8 O72 -","4","1","","McCormick, Laura J.; Morris, Samuel A.; Slawin, Alexandra M. Z.; Teat, Simon J.; Morris, Russell E.","Coordination polymers of 5-substituted isophthalic acid.","CrystEngComm / RSC","2016","18","7","1123","1132","10.1039/c5ce02091c","","","0.7749","synchrotron","","0.0399","0.0377","","","0.1051","0.1068","","","","","","1.085","","","","has coordinates","181596","2020-10-21","18:00:00",""
"7223437","20.775","0.003","27.566","0.003","10.846","0.0013","90","","90","","90","","6211.3","1.3","150","2","150","2","","","","","","","","4","P n n 2","P 2 -2n","34","","","","- C45 H54.75 O33.5 Zn6 -","- C45 H30 O33.433 Zn6 -","- C180 H120 O133.732 Zn24 -","4","1","","McCormick, Laura J.; Morris, Samuel A.; Slawin, Alexandra M. Z.; Teat, Simon J.; Morris, Russell E.","Coordination polymers of 5-substituted isophthalic acid.","CrystEngComm / RSC","2016","18","7","1123","1132","10.1039/c5ce02091c","","","0.7749","synchrotron","","0.0618","0.0533","","","0.1378","0.1432","","","","","","1.042","","","","has coordinates,has disorder","181596","2020-10-21","18:00:00",""
"7223438","17.382","0.004","10.4516","0.0015","15.97","0.003","90","","90","","90","","2901.3","1","173","2","173","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C45 H44 O28 Zn6 -","- C45 H32 O28 Zn6 -","- C90 H64 O56 Zn12 -","2","0.5","","McCormick, Laura J.; Morris, Samuel A.; Slawin, Alexandra M. Z.; Teat, Simon J.; Morris, Russell E.","Coordination polymers of 5-substituted isophthalic acid.","CrystEngComm / RSC","2016","18","7","1123","1132","10.1039/c5ce02091c","","","0.71075","MoKα","","0.1102","0.0575","","","0.1285","0.1517","","","","","","1.073","","","","has coordinates","181596","2020-10-21","18:00:00",""
"7223439","4.5131","0.0008","14.483","0.003","12.622","0.003","90","","97.792","0.009","90","","817.4","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Mn O10 -","- C18 H14 Mn O10 -","- C36 H28 Mn2 O20 -","2","0.5","","McCormick, Laura J.; Morris, Samuel A.; Slawin, Alexandra M. Z.; Teat, Simon J.; Morris, Russell E.","Coordination polymers of 5-substituted isophthalic acid.","CrystEngComm / RSC","2016","18","7","1123","1132","10.1039/c5ce02091c","","","0.71075","MoKα","","0.0593","0.0348","","","0.0737","0.0829","","","","","","1.032","","","","has coordinates","181596","2020-10-21","18:00:00",""
"7223440","9.1496","0.0012","9.7908","0.0012","16.078","0.002","89.207","0.002","76.087","0.002","74.643","0.002","1346.2","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H62 Mn3 O18 -","- C52 H62 Mn3 O18 -","- C52 H62 Mn3 O18 -","1","0.5","","McCormick, Laura J.; Morris, Samuel A.; Slawin, Alexandra M. Z.; Teat, Simon J.; Morris, Russell E.","Coordination polymers of 5-substituted isophthalic acid.","CrystEngComm / RSC","2016","18","7","1123","1132","10.1039/c5ce02091c","","","0.7749","synchrotron","","0.0538","0.0453","","","0.1204","0.126","","","","","","1.041","","","","has coordinates,has disorder","181596","2020-10-21","18:00:00",""
"7223456","14.861","0.003","14.142","0.003","22.798","0.005","90","","106.37","0.03","90","","4597.1","1.8","293","2","293","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C48 H46 As8 N18 Ni5 O43 V14 -","- C48 H36 As8 N18 Ni5 O43 V14 -","- C96 H72 As16 N36 Ni10 O86 V28 -","2","0.5","","Guo, Hai-Yang; Li, Zhi-Fang; Zhang, Xiao; Fu, Li-Wei; Hu, Yang-Yang; Guo, Lan-Lan; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","New self-assembly hybrid compounds based on arsenic‒vanadium clusters and transition metal mixed-organic-ligand complexes","CrystEngComm","2016","18","4","566","","10.1039/C5CE01983D","","","0.71073","MoKα","","0.1144","0.074","","","0.1909","0.2334","","","","","","1.004","","","","has coordinates","175946","2020-10-21","18:00:00",""
"7223457","13.80109","0.00015","23.8678","0.0002","27.1204","0.0002","90","","90","","90","","8933.5","0.14","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C46 H41 As8 N12 Ni2.5 O43 V14 -","- C46 H35 As8 N12 Ni2.5 O43 V14 -","- C184 H140 As32 N48 Ni10 O172 V56 -","4","1","","Guo, Hai-Yang; Li, Zhi-Fang; Zhang, Xiao; Fu, Li-Wei; Hu, Yang-Yang; Guo, Lan-Lan; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","New self-assembly hybrid compounds based on arsenic‒vanadium clusters and transition metal mixed-organic-ligand complexes","CrystEngComm","2016","18","4","566","","10.1039/C5CE01983D","","","0.71073","MoKα","","0.0497","0.0445","","","0.1273","0.1323","","","","","","1.043","","","","has coordinates","175946","2020-10-21","18:00:00",""
"7223458","12.169","0.002","16.057","0.003","40.244","0.008","90","","90","","90","","7864","3","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C42 H36 As8 N8 Ni2 O44 V14 -","- C42 H32 As8 N8 Ni2 O44 V14 -","- C168 H128 As32 N32 Ni8 O176 V56 -","4","1","","Guo, Hai-Yang; Li, Zhi-Fang; Zhang, Xiao; Fu, Li-Wei; Hu, Yang-Yang; Guo, Lan-Lan; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","New self-assembly hybrid compounds based on arsenic‒vanadium clusters and transition metal mixed-organic-ligand complexes","CrystEngComm","2016","18","4","566","","10.1039/C5CE01983D","","","0.71073","MoKα","","0.1534","0.0875","","","0.1915","0.2262","","","","","","1.055","","","","has coordinates","175946","2020-10-21","18:00:00",""
"7223459","15.5647","0.001","15.5647","0.001","38.904","0.005","90","","90","","90","","9424.9","1.5","296","2","296","2","","","","","","","","7","I 41/a","-I 4ad","88","","","","- C52 H58 As8 N16 Ni2 O49 V14 -","- C52 H44 As8 N16 Ni2 O49 V14 -","- C208 H176 As32 N64 Ni8 O196 V56 -","4","","","Guo, Hai-Yang; Li, Zhi-Fang; Zhang, Xiao; Fu, Li-Wei; Hu, Yang-Yang; Guo, Lan-Lan; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","New self-assembly hybrid compounds based on arsenic‒vanadium clusters and transition metal mixed-organic-ligand complexes","CrystEngComm","2016","18","4","566","","10.1039/C5CE01983D","","","0.71073","MoKα","","0.1694","0.0809","","","0.222","0.2892","","","","","","1.02","","","","has coordinates","175946","2020-10-21","18:00:00",""
"7223460","11.5263","0.0009","15.2606","0.0011","15.8895","0.0012","106.238","0.001","95.372","0.001","102.466","0.001","2584.6","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H58 As8 Cd2 N12 O47 V14 -","- C68 H52 As8 Cd2 N12 O47 V14 -","- C68 H52 As8 Cd2 N12 O47 V14 -","1","0.5","","Guo, Hai-Yang; Li, Zhi-Fang; Zhang, Xiao; Fu, Li-Wei; Hu, Yang-Yang; Guo, Lan-Lan; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","New self-assembly hybrid compounds based on arsenic‒vanadium clusters and transition metal mixed-organic-ligand complexes","CrystEngComm","2016","18","4","566","","10.1039/C5CE01983D","","","0.71073","MoKα","","0.0801","0.0543","","","0.1548","0.1751","","","","","","1.073","","","","has coordinates","175946","2020-10-21","18:00:00",""
"7223461","12.541","0.002","12.565","0.002","14.238","0.003","83.592","0.002","79.184","0.003","81.137","0.002","2169.5","0.7","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H50 As6 Cd4 N8 O55 V15 -","- C50 H40 As6 Cd4 N8 O55 V15 -","- C50 H40 As6 Cd4 N8 O55 V15 -","1","0.5","","Guo, Hai-Yang; Li, Zhi-Fang; Zhang, Xiao; Fu, Li-Wei; Hu, Yang-Yang; Guo, Lan-Lan; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","New self-assembly hybrid compounds based on arsenic‒vanadium clusters and transition metal mixed-organic-ligand complexes","CrystEngComm","2016","18","4","566","","10.1039/C5CE01983D","","","0.71073","MoKα","","0.1087","0.0967","","","0.2365","0.2426","","","","","","1.018","","","","has coordinates","175946","2020-10-21","18:00:00",""
"7223462","11.6254","0.0003","14.4554","0.0004","14.651","0.0004","99.363","0.002","97.293","0.002","91.069","0.002","2407.7","0.11","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H52 As8 Co2 N12 O49 V14 -","- C60 H36 As8 Co2 N12 O49 V14 -","- C60 H36 As8 Co2 N12 O49 V14 -","1","0.5","","Guo, Hai-Yang; Li, Zhi-Fang; Zhang, Xiao; Fu, Li-Wei; Hu, Yang-Yang; Guo, Lan-Lan; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","New self-assembly hybrid compounds based on arsenic‒vanadium clusters and transition metal mixed-organic-ligand complexes","CrystEngComm","2016","18","4","566","","10.1039/C5CE01983D","","","0.71073","MoKα","","0.1005","0.0714","","","0.2029","0.2307","","","","","","1.024","","","","has coordinates","175946","2020-10-21","18:00:00",""
"7223463","14.4313","0.0005","13.2244","0.0006","7.5812","0.0003","90","","93.883","0.003","90","","1443.51","0.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 Cu2.5 N7 -","- C13 H13 Cu2.5 N7 -","- C52 H52 Cu10 N28 -","4","1","","Hsu, Wayne; Thapa, Kedar Bahadur; Yang, Xiang-Kai; Chen, Kuan-Ting; Chang, Han-Yun; Chen, Jhy-Der","Dinitrogen-supported coordination polymers","CrystEngComm","2016","18","3","390","","10.1039/C5CE02127H","","","0.71073","MoKα","","0.0814","0.0364","","","0.0761","0.0915","","","","","","0.993","","","","has coordinates","175953","2020-10-21","18:00:00",""
"7223464","7.3329","0.0003","18.6223","0.0007","14.8934","0.0006","90","","101.642","0.002","90","","1991.94","0.14","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 Cu3 N10 O -","- C14 H17 Cu3 N10 O -","- C56 H68 Cu12 N40 O4 -","4","1","","Hsu, Wayne; Thapa, Kedar Bahadur; Yang, Xiang-Kai; Chen, Kuan-Ting; Chang, Han-Yun; Chen, Jhy-Der","Dinitrogen-supported coordination polymers","CrystEngComm","2016","18","3","390","","10.1039/C5CE02127H","","","0.71073","MoKα","","0.1072","0.0536","","","0.1247","0.1476","","","","","","1.005","","","","has coordinates,has disorder","175953","2020-10-21","18:00:00",""
"7223470","8.785","0.006","20.81","0.014","34.48","0.02","90","","90","","90","","6303","7","293","","293","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","Sc2BDC3","catena-(tris(m4-Terephthalato)-di-scandium)","","- C12 H6 O6 Sc -","- C12 H6 O6 Sc -","- C192 H96 O96 Sc16 -","16","0.5","","McKellar, Scott C.; Sotelo, Jorge; Mowat, John P. S.; Wright, Paul A.; Moggach, Stephen A.","Perfluorocarbon liquid under pressure: a medium for gas delivery","CrystEngComm","2016","18","8","1273","","10.1039/C5CE01989C","","","0.71073","MoKα","","0.0449","0.0305","","0.0643","0.0594","0.0643","","","","","","0.9995","","","","has coordinates","177752","2020-10-21","18:00:00",""
"7223471","8.798","0.002","20.865","0.004","34.551","0.006","90","","90","","90","","6343","2","293","","293","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","Sc2BDC3","catena-(tris(m4-Terephthalato)-di-scandium)","","- C12 H6 O6 Sc -","- C12 H6 O6 Sc -","- C192 H96 O96 Sc16 -","16","0.5","","McKellar, Scott C.; Sotelo, Jorge; Mowat, John P. S.; Wright, Paul A.; Moggach, Stephen A.","Perfluorocarbon liquid under pressure: a medium for gas delivery","CrystEngComm","2016","18","8","1273","","10.1039/C5CE01989C","","","0.71073","MoKα","","0.0805","0.0491","","0.1114","0.0959","0.1114","","","","","","0.9315","","","","has coordinates","177752","2020-10-21","18:00:00",""
"7223472","8.7007","0.0013","34.271","0.003","11.0753","0.0012","90","","111.047","0.009","90","","3082.1","0.7","293","","293","","","","170000","","","","","4","C 1 2/c 1","-C 2yc","15","Sc2BDC3","catena-(tris(m4-Terephthalato)-di-scandium)","","- C12.56 H6 O7.125 Sc -","- C12 H6 O6 Sc -","- C96 H48 O48 Sc8 -","8","1","","McKellar, Scott C.; Sotelo, Jorge; Mowat, John P. S.; Wright, Paul A.; Moggach, Stephen A.","Perfluorocarbon liquid under pressure: a medium for gas delivery","CrystEngComm","2016","18","8","1273","","10.1039/C5CE01989C","","x-ray","0.71073","MoKα","","0.1632","0.1213","","0.3286","0.2927","0.3286","","","","","","0.9725","","","","has coordinates","177752","2020-10-21","18:00:00",""
"7223487","15.1612","0.0016","15.1612","0.0016","58.187","0.009","90","","90","","120","","11583","2","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C72 H48 Ag3 Fe2 I7 N12 -","- C72 H48 Ag3 Fe2 I7 N12 -","- C432 H288 Ag18 Fe12 I42 N72 -","6","0.166667","","Lei, Xiao-Wu; Yue, Cheng-Yang; Feng, Li-Juan; Han, Yong-Fang; Meng, Rong-Rong; Yang, Jiang-Tao; Ding, Hao; Gao, Chuan-Sheng; Wang, Chun-Yan","Syntheses, crystal structures and photocatalytic properties of four hybrid iodoargentates with zero- and two-dimensional structures","CrystEngComm","2016","18","3","427","","10.1039/C5CE01669J","","","0.71073","MoKα","","0.0403","0.0375","","","0.1486","0.1518","","","","","","1.068","","","","has coordinates","175951","2020-10-21","18:00:00",""
"7223488","15.1789","0.0004","15.1789","0.0004","58.192","0.004","90","","90","","120","","11611.1","0.9","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C72 H48 Ag3 I7 Mn2 N12 -","- C72 H48 Ag3 I7 Mn2 N12 -","- C432 H288 Ag18 I42 Mn12 N72 -","6","0.166667","","Lei, Xiao-Wu; Yue, Cheng-Yang; Feng, Li-Juan; Han, Yong-Fang; Meng, Rong-Rong; Yang, Jiang-Tao; Ding, Hao; Gao, Chuan-Sheng; Wang, Chun-Yan","Syntheses, crystal structures and photocatalytic properties of four hybrid iodoargentates with zero- and two-dimensional structures","CrystEngComm","2016","18","3","427","","10.1039/C5CE01669J","","","0.71073","MoKα","","0.0483","0.0435","","","0.1445","0.1493","","","","","","1.055","","","","has coordinates","175951","2020-10-21","18:00:00",""
"7223489","14.7523","0.0014","14.7794","0.0014","27.291","0.003","76.78","0.001","86.843","0.001","60.318","0.001","5020.6","0.9","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H24 Ag5 I7 Mn N6 -","- C36 H24 Ag5 I7 Mn N6 -","- C144 H96 Ag20 I28 Mn4 N24 -","4","2","","Lei, Xiao-Wu; Yue, Cheng-Yang; Feng, Li-Juan; Han, Yong-Fang; Meng, Rong-Rong; Yang, Jiang-Tao; Ding, Hao; Gao, Chuan-Sheng; Wang, Chun-Yan","Syntheses, crystal structures and photocatalytic properties of four hybrid iodoargentates with zero- and two-dimensional structures","CrystEngComm","2016","18","3","427","","10.1039/C5CE01669J","","","0.71073","MoKα","","0.0883","0.052","","","0.1453","0.1623","","","","","","1.045","","","","has coordinates","175951","2020-10-21","18:00:00",""
"7223490","11.396","0.0014","18.948","0.002","23.015","0.003","100.441","0.001","94.951","0.001","100.227","0.001","4773.5","1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H56 Ag14 I22 N8 -","- C48 H56 Ag14 I22 N8 -","- C96 H112 Ag28 I44 N16 -","2","1","","Lei, Xiao-Wu; Yue, Cheng-Yang; Feng, Li-Juan; Han, Yong-Fang; Meng, Rong-Rong; Yang, Jiang-Tao; Ding, Hao; Gao, Chuan-Sheng; Wang, Chun-Yan","Syntheses, crystal structures and photocatalytic properties of four hybrid iodoargentates with zero- and two-dimensional structures","CrystEngComm","2016","18","3","427","","10.1039/C5CE01669J","","","0.71073","MoKα","","0.0627","0.0399","","","0.0915","0.1003","","","","","","1.023","","","","has coordinates","175951","2020-10-21","18:00:00",""
"7223491","17.2929","0.0007","17.2929","0.0007","19.8829","0.0012","90","","90","","90","","5945.9","0.5","180","0.2","180","0.2","","","","","","","","4","I 4/m","-I 4","87","CMF-1","","","- Cu6 Mo28 N2 O96 -","- Cu6 Mo28 N2 O96 -","- Cu12 Mo56 N4 O192 -","2","0.125","","Zhao, Yifang; Yuan, Youyou; Du, Xin; Lin, Xiaohuan; Liao, Fuhui; Xie, Jinglin; Lin, Jianhua; Sun, Junliang","Hydrothermal assembly of various dimensional pure-inorganic copper‒molybdenum frameworks","CrystEngComm","2016","18","4","521","","10.1039/C5CE02213D","","","0.7107","MoKα","","0.0586","0.0402","","","0.1012","0.1081","","","","","","1.03","","","","has coordinates","175948","2020-10-21","18:00:00",""
"7223492","10.3503","0.0004","10.3933","0.0004","15.1733","0.0006","76.113","0.004","75.04","0.004","62.687","0.004","1387","0.11","180","0.1","180","1","","","","","","","","3","P -1","-P 1","2","CMF-2","","","- Cu Mo7 O24 -","- Cu Mo7 O24 -","- Cu2 Mo14 O48 -","2","1","","Zhao, Yifang; Yuan, Youyou; Du, Xin; Lin, Xiaohuan; Liao, Fuhui; Xie, Jinglin; Lin, Jianhua; Sun, Junliang","Hydrothermal assembly of various dimensional pure-inorganic copper‒molybdenum frameworks","CrystEngComm","2016","18","4","521","","10.1039/C5CE02213D","","","0.7107","MoKα","","0.0478","0.0362","","","0.0821","0.0876","","","","","","1.011","","","","has coordinates","175948","2020-10-21","18:00:00",""
"7223493","10.4495","0.0007","19.2758","0.0009","13.2417","0.0008","90","","90","","90","","2667.2","0.3","180.01","0.13","180.01","0.13","","","","","","","","3","P n m a","-P 2ac 2n","62","CMF-3","","","- Cu Mo7 O24 -","- Cu Mo7 O24 -","- Cu4 Mo28 O96 -","4","0.5","","Zhao, Yifang; Yuan, Youyou; Du, Xin; Lin, Xiaohuan; Liao, Fuhui; Xie, Jinglin; Lin, Jianhua; Sun, Junliang","Hydrothermal assembly of various dimensional pure-inorganic copper‒molybdenum frameworks","CrystEngComm","2016","18","4","521","","10.1039/C5CE02213D","","","0.71073","MoKα","","0.0719","0.0532","","","0.1259","0.1347","","","","","","1.049","","","","has coordinates,has disorder","175948","2020-10-21","18:00:00",""
"7223504","19.953","0.007","9.495","0.004","25.805","0.01","90","","91.915","0.012","90","","4886","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C98 H79 N5 O28 Zn6 -","- C98 H79 N5 O28 Zn6 -","- C196 H158 N10 O56 Zn12 -","2","0.25","","Zhang, Chuanqi; Yan, Yan; Sun, Libo; Liang, Zhiqiang; Li, Jiyang","Solvent-induced construction of two zinc metal‒organic frameworks for highly selective detection of nitroaromatic explosives","CrystEngComm","2016","18","22","4102","","10.1039/C5CE02172C","","","0.71073","MoKα","","0.1493","0.0917","","","0.2528","0.2937","","","","","","1.047","","","","has coordinates","185165","2020-10-21","18:00:00",""
"7223505","16.7153","0.0008","8.4558","0.0004","35.4943","0.0017","90","","90","","90","","5016.8","0.4","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C26 H26 N2 O7 Zn -","- C26 H26 N2 O7 Zn -","- C208 H208 N16 O56 Zn8 -","8","1","","Zhang, Chuanqi; Yan, Yan; Sun, Libo; Liang, Zhiqiang; Li, Jiyang","Solvent-induced construction of two zinc metal‒organic frameworks for highly selective detection of nitroaromatic explosives","CrystEngComm","2016","18","22","4102","","10.1039/C5CE02172C","","","0.71073","MoKα","","0.0713","0.0462","","","0.0985","0.1079","","","","","","1.073","","","","has coordinates","185165","2020-10-21","18:00:00",""
"7223506","13.4199","0.0005","19.4201","0.0007","20.7033","0.0015","88.22","0.006","85.02","0.006","84.859","0.006","5352.1","0.5","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C174 H170 Br8 Cl4 Dy4 N18 Ni4 O52 -","- C174 H170 Br8 Cl4 Dy4 N18 Ni4 O52 -","- C174 H170 Br8 Cl4 Dy4 N18 Ni4 O52 -","1","0.5","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","","0.71075","MoKα","","0.0603","0.048","","","0.1253","0.1312","","","","","","1.112","","","","has coordinates","175972","2020-10-21","18:00:00",""
"7223507","18.0377","0.0013","18.3422","0.0013","29.9","0.002","71.347","0.002","71.67","0.002","67.774","0.002","8462.6","1","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C82 H92 N4 Ni4 O22 -","- C78.5 H78 N4 Ni4 O18.5 -","- C314 H312 N16 Ni16 O74 -","4","2","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","","0.71075","MoKα","","0.0845","0.0643","","","0.175","0.1896","","","","","","1.049","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7223508","12.1956","0.00019","19.3817","0.0006","20.2019","0.0007","90","","98.464","0.002","90","","4723.1","0.2","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C92 H112 Cl2 Dy2 N4 Ni2 O30 -","- C92 H112 Cl2 Dy2 N4 Ni2 O30 -","- C184 H224 Cl4 Dy4 N8 Ni4 O60 -","2","0.5","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","x-ray","0.71073","MoKα","","0.0451","0.0322","","","0.0687","0.0755","","","","","","1.053","","","","has coordinates","175972","2020-10-21","18:00:00",""
"7223509","15.0768","0.0005","20.6499","0.0005","17.8256","0.0008","90","","103.01","0.004","90","","5407.3","0.3","173","","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C106 H122 Cl2 Dy2 N10 Ni2 O28 -","- C106 H122 Cl2 Dy2 N10 Ni2 O28 -","- C212 H244 Cl4 Dy4 N20 Ni4 O56 -","2","0.5","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","x-ray","0.71073","MoKα","","0.0491","0.0362","","","0.0816","0.0908","","","","","","1.065","","","","has coordinates","175972","2020-10-21","18:00:00",""
"7223510","10.4776","0.0004","21.3408","0.0008","14.3681","0.0005","90","","106.977","0.004","90","","3072.7","0.2","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H58 Dy2 N4 Ni2 O18 -","- C62 H58 Dy2 N4 Ni2 O18 -","- C124 H116 Dy4 N8 Ni4 O36 -","2","0.5","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","x-ray","1.54184","CuKα","","0.0899","0.0666","","","0.1672","0.1837","","","","","","0.99","","","","has coordinates,has disorder","175972","2020-10-21","18:00:00",""
"7223511","13.149","0.0009","13.62","0.001","15.4701","0.0011","68.869","0.005","65.65","0.004","63.614","0.004","2207.1","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C88 H76 Co2 Dy2 N14 O34 -","- C88 H76 Co2 Dy2 N14 O34 -","- C88 H76 Co2 Dy2 N14 O34 -","1","0.5","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","","0.71075","MoKα","","0.0859","0.0745","","","0.1889","0.1971","","","","","","1.078","","","","has coordinates,has disorder","175972","2020-10-21","18:00:00",""
"7223512","12.7821","0.0009","13.5743","0.001","14.1583","0.001","106.94","0.003","91.065","0.002","97.754","0.002","2324.2","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C94 H90 Co2 Dy2 N14 O32 -","- C94 H90 Co2 Dy2 N14 O32 -","- C94 H90 Co2 Dy2 N14 O32 -","1","0.5","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","","0.71075","MoKα","","0.0469","0.0427","","","0.1152","0.1197","","","","","","1.047","","","","has coordinates,has disorder","175972","2020-10-21","18:00:00",""
"7223513","16.5657","0.0012","17.6842","0.0012","18.4698","0.0013","81.572","0.002","80.148","0.002","83.02","0.002","5247.5","0.6","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C81 H69 Dy3 N24 O60 -","- C81 H69 Dy3 N24 O60 -","- C162 H138 Dy6 N48 O120 -","2","1","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","","0.71075","MoKα","","0.036","0.0314","","","0.0764","0.0797","","","","","","1.05","","","","has coordinates","175972","2020-10-21","18:00:00",""
"7223514","14.1586","0.0006","17.259","0.0007","22.3936","0.0008","98.527","0.003","98.268","0.003","111.403","0.004","4920.7","0.4","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C181 H171 Dy4 N27 Ni4 O66 -","- C181 H171 Dy4 N27 Ni4 O66 -","- C181 H171 Dy4 N27 Ni4 O66 -","1","0.5","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","x-ray","0.71073","MoKα","","0.0618","0.0425","","","0.0968","0.1096","","","","","","1.053","","","","has coordinates,has disorder","175972","2020-10-21","18:00:00",""
"7223515","6.9697","0.0004","12.6645","0.0007","15.0866","0.0008","76.153","0.005","89.966","0.005","88.423","0.005","1292.45","0.13","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H11 Cl N2 O5 -","- C14 H11 Cl N2 O5 -","- C56 H44 Cl4 N8 O20 -","4","2","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","","1.54184","CuKα","","0.0593","0.0493","","","0.1324","0.1451","","","","","","1.054","","","","has coordinates","175972","2020-10-21","18:00:00",""
"7223516","7.5662","0.0004","8.5456","0.0004","14.8304","0.0008","84.747","0.004","84.775","0.004","82.09","0.004","942.79","0.08","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H20 Br N O4 -","- C21 H20 Br N O4 -","- C42 H40 Br2 N2 O8 -","2","1","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","x-ray","0.71073","MoKα","","0.0506","0.0373","","","0.0719","0.0768","","","","","","1.049","","","","has coordinates,has disorder","175972","2020-10-21","18:00:00",""
"7223517","18.8624","0.0005","17.03","0.0004","25.6461","0.0018","90","","108.353","0.008","90","","7819.2","0.7","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 Co N5 O12 -","- C36 H44 Co N5 O12 -","- C288 H352 Co8 N40 O96 -","8","2","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","","0.71075","MoKα","","0.1216","0.0855","","","0.2181","0.2379","","","","","","1.054","","","","has coordinates,has disorder","175972","2020-10-21","18:00:00",""
"7223518","13.059","0.0008","22.7258","0.0011","15.4472","0.0013","90","","109.616","0.008","90","","4318.3","0.5","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H52 Br2 Co N3 O9 -","- C45 H52 Br2 Co N3 O9 -","- C180 H208 Br8 Co4 N12 O36 -","4","1","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","x-ray","0.71073","MoKα","","0.1023","0.059","","","0.1182","0.1402","","","","","","1.041","","","","has coordinates","175972","2020-10-21","18:00:00",""
"7223519","22.1776","0.0015","18.894","0.0011","27.8333","0.0011","90","","100.127","0.004","90","","11481.1","1.1","173","","173","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C120.5 H115 Cl5 Dy2 N4 Ni2 O20 -","- C120.5 H115 Cl5 Dy2 N4 Ni2 O20 -","- C482 H460 Cl20 Dy8 N16 Ni8 O80 -","4","0.5","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","","0.71073","MoKα","","0.1828","0.1138","","","0.2803","0.3192","","","","","","1.041","","","","has coordinates","175972","2020-10-21","18:00:00",""
"7223520","12.5403","0.0007","14.7915","0.001","18.88","0.002","100.291","0.008","106.198","0.007","105.143","0.005","3124.5","0.5","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C122 H146 Cl2 Dy2 N14 Ni2 O30 -","- C122 H146 Cl2 Dy2 N14 Ni2 O30 -","- C122 H146 Cl2 Dy2 N14 Ni2 O30 -","1","0.5","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","x-ray","0.71073","MoKα","","0.0524","0.0437","","","0.107","0.1165","","","","","","1.083","","","","has coordinates,has disorder","175972","2020-10-21","18:00:00",""
"7223521","20.462","0.0007","20.8069","0.0007","27.3553","0.0007","90","","98.444","0.003","90","","11520.3","0.6","173","","173","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C112 H114 Br6 Dy2 N4 Ni2 O26 -","- C108 H102 Br6 Dy2 N4 Ni2 O24 -","- C432 H408 Br24 Dy8 N16 Ni8 O96 -","4","0.5","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","","0.71073","MoKα","","0.0746","0.0501","","","0.131","0.1431","","","","","","1.018","","","","has coordinates","175972","2020-10-21","18:00:00",""
"7223522","38.159","0.003","38.159","0.003","18.7654","0.0013","90","","90","","120","","23664","3","100","","100","","","","","","","","","6","R -3","-R 3","148","","","","- C122 H130 Dy2 N4 Ni2 O24 -","- C118 H118 Dy2 N4 Ni2 O22 -","- C1062 H1062 Dy18 N36 Ni18 O198 -","9","","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","","0.71075","MoKα","","0.0553","0.0408","","","0.1095","0.1157","","","","","","0.992","","","","has coordinates,has disorder","175972","2020-10-21","18:00:00",""
"7223523","15.8855","0.0006","17.2105","0.0011","20.5903","0.0011","90","","96.747","0.004","90","","5590.3","0.5","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C102 H110 Cl2 Dy2 N10 Ni2 O26 -","- C102 H110 Cl2 Dy2 N10 Ni2 O26 -","- C204 H220 Cl4 Dy4 N20 Ni4 O52 -","2","0.5","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","x-ray","0.71073","MoKα","","0.0708","0.0464","","","0.1115","0.122","","","","","","1.075","","","","has coordinates,has disorder","175972","2020-10-21","18:00:00",""
"7223524","12.1724","0.0012","14.1352","0.0015","19.123","0.002","90","","99.425","0.011","90","","3245.9","0.6","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C64 H72 Cl2 Dy2 N4 Ni2 O26 -","- C64 H72 Cl2 Dy2 N4 Ni2 O26 -","- C128 H144 Cl4 Dy4 N8 Ni4 O52 -","2","0.5","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","","0.71073","MoKα","","0.1319","0.065","","","0.0947","0.13","","","","","","0.872","","","","has coordinates","175972","2020-10-21","18:00:00",""
"7223525","16.6632","0.0004","18.8674","0.0003","15.7017","0.0003","90","","109.993","0.003","90","","4638.98","0.18","173","2","173","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C82 H100 Dy2 F6 N12 Ni2 O26 S2 -","- C82 H100 Dy2 F6 N12 Ni2 O26 S2 -","- C164 H200 Dy4 F12 N24 Ni4 O52 S4 -","2","0.5","","Griffiths, Kieran; Dokorou, Vassiliki N.; Spencer, John; Abdul-Sada, Alaa; Vargas, Alfredo; Kostakis, George E.","Isoskeletal Schiff base polynuclear coordination clusters: synthetic and theoretical aspects","CrystEngComm","2016","18","5","704","","10.1039/C5CE02109J","","x-ray","0.71073","MoKα","","0.0501","0.0382","","","0.0885","0.0976","","","","","","1.039","","","","has coordinates","175972","2020-10-21","18:00:00",""
"7223526","10.947","0.002","11.0433","0.0016","17.924","0.004","99.305","0.015","96.75","0.017","90.261","0.013","2122.9","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H30 Co3 N6 O12 S3 -","- C42 H30 Co3 N6 O12 S3 -","- C84 H60 Co6 N12 O24 S6 -","2","1","","Chisca, Diana; Croitor, Lilia; Coropceanu, Eduard B.; Petuhov, Oleg; Baca, Svetlana G.; Krämer, Karl; Liu, Shi-Xia; Decurtins, Silvio; Rivera-Jacquez, Hector J.; Masunov, Artëm E.; Fonari, Marina S.","From pink to blue and back to pink again: changing the Co(ii) ligation in a two-dimensional coordination network upon desolvation","CrystEngComm","2016","18","3","384","","10.1039/C5CE01581B","","","0.71073","MoKα","","0.3281","0.2028","","","0.4767","0.5315","","","","","","1.164","","","","has coordinates","175954","2020-10-21","18:00:00",""
"7223527","10.6132","0.0005","13.4256","0.0007","17.8366","0.0012","78.86","0.005","76.42","0.005","72.302","0.004","2333.1","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H47 Co2 N7 O14 S2 -","- C37 H47 Co2 N7 O14 S2 -","- C74 H94 Co4 N14 O28 S4 -","2","1","","Chisca, Diana; Croitor, Lilia; Coropceanu, Eduard B.; Petuhov, Oleg; Baca, Svetlana G.; Krämer, Karl; Liu, Shi-Xia; Decurtins, Silvio; Rivera-Jacquez, Hector J.; Masunov, Artëm E.; Fonari, Marina S.","From pink to blue and back to pink again: changing the Co(ii) ligation in a two-dimensional coordination network upon desolvation","CrystEngComm","2016","18","3","384","","10.1039/C5CE01581B","","","0.71073","MoKα","","0.0796","0.0623","","","0.1531","0.1623","","","","","","1.068","","","","has coordinates,has disorder","175954","2020-10-21","18:00:00",""
"7223528","10.5028","0.0002","13.3758","0.0003","17.9703","0.0003","78.0998","0.0015","75.4371","0.0016","71.7708","0.0018","2298.34","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H47 Co2 N7 O14 S2 -","- C37 H47 Co2 N7 O14 S2 -","- C74 H94 Co4 N14 O28 S4 -","2","1","","Chisca, Diana; Croitor, Lilia; Coropceanu, Eduard B.; Petuhov, Oleg; Baca, Svetlana G.; Krämer, Karl; Liu, Shi-Xia; Decurtins, Silvio; Rivera-Jacquez, Hector J.; Masunov, Artëm E.; Fonari, Marina S.","From pink to blue and back to pink again: changing the Co(ii) ligation in a two-dimensional coordination network upon desolvation","CrystEngComm","2016","18","3","384","","10.1039/C5CE01581B","","","0.71073","MoKα","","0.0417","0.0361","","","0.0942","0.0976","","","","","","1.051","","","","has coordinates,has disorder","175954","2020-10-21","18:00:00",""
"7223529","26.232","0.007","26.232","0.007","26.232","0.007","90","","90","","90","","18051","8","298","2","296","2","","","","","","","","8","F m -3 m","-F 4 2 3","225","","","","- C92 H168 Cu12 Mo N5 O130 Si W11 -","- C80 H48.0048 Cu12 Mo0.9996 N2 O106 Si W11.0004 -","- C320 H192.019 Cu48 Mo3.9984 N8 O424 Si4 W44.0016 -","4","0.0208333","","Li, Chong; Sun, Minghui; Xu, Lin; Wang, Yuchao; Huang, Jiawei","The first heteropoly blue-embedded metal‒organic framework: crystal structure, magnetic property and proton conductivity","CrystEngComm","2016","18","4","596","","10.1039/C5CE02074C","","","0.71073","MoKα","","0.0801","0.0635","","","0.2109","0.233","","","","","","1.09","","","","has coordinates,has disorder","175949","2020-10-21","18:00:00",""
"7223540","9.1586","0.0007","9.5032","0.0007","13.9208","0.0008","95.383","0.003","91.851","0.002","107.7","0.004","1146.8","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","C15 H24 N4 O13.50 Sm","","","- C15 H24 N4 O13.5 Sm -","- C15 H13 N4 O13.5 Sm -","- C30 H26 N8 O27 Sm2 -","2","1","","Xiao, Yu; Wang, Shuai-Hua; Zheng, Fa-Kun; Wu, Mei-Feng; Xu, Ju; Liu, Zhi-Fa; Chen, Jun; Li, Rong; Guo, Guo-Cong","Excitation wavelength-induced color-tunable and white-light emissions in lanthanide(iii) coordination polymers constructed using an environment-dependent luminescent tetrazolate‒dicarboxylate ligand","CrystEngComm","2016","18","5","721","","10.1039/C5CE02140E","","","0.71073","MoKα","","0.0356","0.0307","","","0.073","0.0747","","","","","","1.001","","","","has coordinates","175969","2020-10-21","18:00:00",""
"7223541","9.1406","0.0009","9.4909","0.001","13.9426","0.0012","95.29","0.004","91.86","0.004","107.708","0.004","1145","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","C15 H24 Eu N4 O13.50","","","- C15 H24 Eu N4 O13.5 -","- C15 H13 Eu N4 O13.5 -","- C30 H26 Eu2 N8 O27 -","2","1","","Xiao, Yu; Wang, Shuai-Hua; Zheng, Fa-Kun; Wu, Mei-Feng; Xu, Ju; Liu, Zhi-Fa; Chen, Jun; Li, Rong; Guo, Guo-Cong","Excitation wavelength-induced color-tunable and white-light emissions in lanthanide(iii) coordination polymers constructed using an environment-dependent luminescent tetrazolate‒dicarboxylate ligand","CrystEngComm","2016","18","5","721","","10.1039/C5CE02140E","","","0.71073","MoKα","","0.0411","0.038","","","0.1006","0.1033","","","","","","1.057","","","","has coordinates","175969","2020-10-21","18:00:00",""
"7223542","9.0892","0.0004","9.4506","0.0006","13.922","0.0007","95.202","0.004","91.845","0.004","107.559","0.004","1133.23","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","C15 H24 Gd N4 O13.50","","","- C15 H24 Gd N4 O13.5 -","- C15 H13 Gd N4 O13.5 -","- C30 H26 Gd2 N8 O27 -","2","1","","Xiao, Yu; Wang, Shuai-Hua; Zheng, Fa-Kun; Wu, Mei-Feng; Xu, Ju; Liu, Zhi-Fa; Chen, Jun; Li, Rong; Guo, Guo-Cong","Excitation wavelength-induced color-tunable and white-light emissions in lanthanide(iii) coordination polymers constructed using an environment-dependent luminescent tetrazolate‒dicarboxylate ligand","CrystEngComm","2016","18","5","721","","10.1039/C5CE02140E","","","0.71073","MoKα","","0.038","0.0338","","","0.0822","0.0853","","","","","","1.003","","","","has coordinates","175969","2020-10-21","18:00:00",""
"7223543","9.117","0.002","9.474","0.002","13.956","0.003","95.423","0.005","91.643","0.004","107.538","0.005","1142.2","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","C15 H24 N4 O13.50 Eu0.12 Gd0.88","","","- C15 H24 Eu0.12 Gd0.88 N4 O13.5 -","- C15 H13 Eu0.12 Gd0.88 N4 O13.5 -","- C30 H26 Eu0.24 Gd1.76 N8 O27 -","2","1","","Xiao, Yu; Wang, Shuai-Hua; Zheng, Fa-Kun; Wu, Mei-Feng; Xu, Ju; Liu, Zhi-Fa; Chen, Jun; Li, Rong; Guo, Guo-Cong","Excitation wavelength-induced color-tunable and white-light emissions in lanthanide(iii) coordination polymers constructed using an environment-dependent luminescent tetrazolate‒dicarboxylate ligand","CrystEngComm","2016","18","5","721","","10.1039/C5CE02140E","","","0.71073","MoKα","","0.0239","0.0216","","","0.0619","0.0633","","","","","","1.044","","","","has coordinates","175969","2020-10-21","18:00:00",""
"7223544","11.8801","0.0011","13.7323","0.0017","13.9872","0.0019","84.567","0.011","79.104","0.009","79.225","0.009","2197.1","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H36 N4 O13 Zn -","- C54 H36 N4 O13 Zn -","- C108 H72 N8 O26 Zn2 -","2","1","","Shao, Yong-Liang; Cui, Yan-Hui; Gu, Jin-Zhong; Wu, Jiang; Wang, Ya-Wen; Kirillov, Alexander M.","Exploring biphenyl-2,4,4′-tricarboxylic acid as a flexible building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2016","18","5","765","","10.1039/C5CE02254A","","","0.71073","MoKα","","0.1717","0.077","","","0.1251","0.1885","","","","","","1.015","","","","has coordinates","175971","2020-10-21","18:00:00",""
"7223545","8.0674","0.001","9.264","0.0015","13.4563","0.0018","72.758","0.013","83.095","0.011","82.579","0.012","948.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H30 Co N8 O12 -","- C42 H30 Co N8 O12 -","- C42 H30 Co N8 O12 -","1","0.5","","Shao, Yong-Liang; Cui, Yan-Hui; Gu, Jin-Zhong; Wu, Jiang; Wang, Ya-Wen; Kirillov, Alexander M.","Exploring biphenyl-2,4,4′-tricarboxylic acid as a flexible building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2016","18","5","765","","10.1039/C5CE02254A","","","0.71","MoKα","","0.1322","0.0791","","","0.1877","0.2333","","","","","","1.032","","","","has coordinates","175971","2020-10-21","18:00:00",""
"7223546","8.0767","0.0004","9.4789","0.0008","13.3988","0.0011","73.886","0.007","83.844","0.005","80.81","0.006","970.69","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H30 Cd N8 O12 -","- C42 H30 Cd N8 O12 -","- C42 H30 Cd N8 O12 -","1","0.5","","Shao, Yong-Liang; Cui, Yan-Hui; Gu, Jin-Zhong; Wu, Jiang; Wang, Ya-Wen; Kirillov, Alexander M.","Exploring biphenyl-2,4,4′-tricarboxylic acid as a flexible building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2016","18","5","765","","10.1039/C5CE02254A","","","0.71","MoKα","","0.1015","0.0597","","","0.1188","0.1428","","","","","","1.061","","","","has coordinates","175971","2020-10-21","18:00:00",""
"7223547","14.4","0.002","13.9197","0.0017","17.1576","0.0019","90","","90","","90","","3439.1","0.7","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C39 H30 N4 Ni O9 -","- C39 H30 N4 Ni O9 -","- C156 H120 N16 Ni4 O36 -","4","1","","Shao, Yong-Liang; Cui, Yan-Hui; Gu, Jin-Zhong; Wu, Jiang; Wang, Ya-Wen; Kirillov, Alexander M.","Exploring biphenyl-2,4,4′-tricarboxylic acid as a flexible building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2016","18","5","765","","10.1039/C5CE02254A","","","0.71","MoKα","","0.1888","0.0937","","","0.1745","0.2294","","","","","","1.001","","","","has coordinates","175971","2020-10-21","18:00:00",""
"7223548","20.3729","0.0006","9.7388","0.0003","17.7787","0.0006","90","","90","","90","","3527.43","0.19","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C39 H23 Cd2 Cl N4 O6 -","- C39 H23 Cd2 Cl N4 O6 -","- C156 H92 Cd8 Cl4 N16 O24 -","4","1","","Shao, Yong-Liang; Cui, Yan-Hui; Gu, Jin-Zhong; Wu, Jiang; Wang, Ya-Wen; Kirillov, Alexander M.","Exploring biphenyl-2,4,4′-tricarboxylic acid as a flexible building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2016","18","5","765","","10.1039/C5CE02254A","","","0.71073","MoKα","","0.0685","0.0515","","","0.1234","0.1411","","","","","","1.042","","","","has coordinates","175971","2020-10-21","18:00:00",""
"7223549","20.505","0.002","10.3482","0.0009","29.521","0.004","90","","113.518","0.015","90","","5743.7","1.3","293.64","0.1","293.64","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C49 H42 N4 Ni3 O16 -","- C49 H42 N4 Ni3 O16 -","- C196 H168 N16 Ni12 O64 -","4","0.5","","Shao, Yong-Liang; Cui, Yan-Hui; Gu, Jin-Zhong; Wu, Jiang; Wang, Ya-Wen; Kirillov, Alexander M.","Exploring biphenyl-2,4,4′-tricarboxylic acid as a flexible building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2016","18","5","765","","10.1039/C5CE02254A","","x-ray","0.71073","MoKα","","0.1558","0.0837","","","0.1803","0.2257","","","","","","0.933","","","","has coordinates,has disorder","175971","2020-10-21","18:00:00",""
"7223550","20.6","0.005","10.4271","0.0011","29.646","0.005","90","","113.51","0.02","90","","5839","2","297.16","0.1","297.16","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H52 Co3 N6 O16 -","- C60 H52 Co3 N6 O16 -","- C240 H208 Co12 N24 O64 -","4","0.5","","Shao, Yong-Liang; Cui, Yan-Hui; Gu, Jin-Zhong; Wu, Jiang; Wang, Ya-Wen; Kirillov, Alexander M.","Exploring biphenyl-2,4,4′-tricarboxylic acid as a flexible building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2016","18","5","765","","10.1039/C5CE02254A","","x-ray","0.71073","MoKα","","0.1608","0.0829","","","0.168","0.2278","","","","","","1.041","","","","has coordinates,has disorder","175971","2020-10-21","18:00:00",""
"7223551","12.058","0.0007","12.3182","0.0006","15.3976","0.0008","67.945","0.005","88.887","0.004","80.778","0.004","2090.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H33 Co3.5 N2 O17 -","- C40 H33 Co3.5 N2 O17 -","- C80 H66 Co7 N4 O34 -","2","1","","Shao, Yong-Liang; Cui, Yan-Hui; Gu, Jin-Zhong; Wu, Jiang; Wang, Ya-Wen; Kirillov, Alexander M.","Exploring biphenyl-2,4,4′-tricarboxylic acid as a flexible building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2016","18","5","765","","10.1039/C5CE02254A","","","0.71073","MoKα","","0.1173","0.0704","","","0.1741","0.2193","","","","","","1.022","","","","has coordinates","175971","2020-10-21","18:00:00",""
"7223552","13.48481","0.00014","12.1638","0.00014","17.6457","0.0002","90","","95.1954","0.001","90","","2882.47","0.06","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H18 O14 Pb3 -","- C30 H18 O14 Pb3 -","- C120 H72 O56 Pb12 -","4","1","","Shao, Yong-Liang; Cui, Yan-Hui; Gu, Jin-Zhong; Wu, Jiang; Wang, Ya-Wen; Kirillov, Alexander M.","Exploring biphenyl-2,4,4′-tricarboxylic acid as a flexible building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2016","18","5","765","","10.1039/C5CE02254A","","","1.54184","CuKα","","0.0432","0.0287","","","0.0493","0.052","","","","","","0.965","","","","has coordinates","175971","2020-10-21","18:00:00",""
"7223579","15.2164","0.0012","13.1809","0.001","29.309","0.002","90","","92.577","0.003","90","","5872.4","0.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H74 N8 O5 S4 -","- C60 H70 N8 O5 S4 -","- C240 H280 N32 O20 S16 -","4","1","","Ovsyannikov, A. S.; Noamane, M. H.; Abidi, R.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: dimensionality and geometry control of silver coordination networks based on pyrazolyl appended thiacalixarenes","CrystEngComm","2016","18","5","691","","10.1039/C5CE02310F","","","0.71073","MoKα","","0.1732","0.1114","","","0.2497","0.2668","","","","","","1.124","","","","has coordinates,has disorder","175967","2020-10-21","18:00:00",""
"7223580","26.6378","0.0006","12.7707","0.0003","19.6019","0.0004","90","","115.002","0.001","90","","6043.4","0.2","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C60 H72 N8 S8 -","- C60 H72 N8 S8 -","- C240 H288 N32 S32 -","4","0.5","","Ovsyannikov, A. S.; Noamane, M. H.; Abidi, R.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: dimensionality and geometry control of silver coordination networks based on pyrazolyl appended thiacalixarenes","CrystEngComm","2016","18","5","691","","10.1039/C5CE02310F","","","0.71073","MoKα","","0.068","0.0479","","","0.1393","0.1568","","","","","","1.004","","","","has coordinates","175967","2020-10-21","18:00:00",""
"7223581","18.8461","0.0013","19.0515","0.0011","19.1473","0.001","99.994","0.003","113.12","0.002","115.126","0.0017","5224.5","0.6","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C143 H187 Ag4 Cl21 F24 N16 O2 S16 Sb4 -","- C143 H183 Ag4 Cl21 F24 N16 O2 S16 Sb4 -","- C143 H183 Ag4 Cl21 F24 N16 O2 S16 Sb4 -","1","0.5","","Ovsyannikov, A. S.; Noamane, M. H.; Abidi, R.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: dimensionality and geometry control of silver coordination networks based on pyrazolyl appended thiacalixarenes","CrystEngComm","2016","18","5","691","","10.1039/C5CE02310F","","","0.71073","MoKα","","0.099","0.0713","","","0.2203","0.2441","","","","","","1.08","","","","has coordinates,has disorder","175967","2020-10-21","18:00:00",""
"7223582","36.0428","0.001","12.4438","0.0003","20.2117","0.0007","90","","121.056","0.0017","90","","7765.8","0.4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H46 Ag N5 O4 S4 -","- C34 H46 Ag N5 O4 S4 -","- C272 H368 Ag8 N40 O32 S32 -","8","1","","Ovsyannikov, A. S.; Noamane, M. H.; Abidi, R.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: dimensionality and geometry control of silver coordination networks based on pyrazolyl appended thiacalixarenes","CrystEngComm","2016","18","5","691","","10.1039/C5CE02310F","","","0.71073","MoKα","","0.0819","0.0573","","","0.1489","0.165","","","","","","1.048","","","","has coordinates","175967","2020-10-21","18:00:00",""
"7223583","15.6888","0.0004","17.4322","0.0005","17.6605","0.0005","80.598","0.001","76.588","0.001","71.025","0.001","4422.6","0.2","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C66 H82 Ag2 Cl6 F12 N8 S8 Sb2 -","- C66 H82 Ag2 Cl6 F12 N8 S8 Sb2 -","- C132 H164 Ag4 Cl12 F24 N16 S16 Sb4 -","2","1","","Ovsyannikov, A. S.; Noamane, M. H.; Abidi, R.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: dimensionality and geometry control of silver coordination networks based on pyrazolyl appended thiacalixarenes","CrystEngComm","2016","18","5","691","","10.1039/C5CE02310F","","","0.71073","MoKα","","0.0973","0.0646","","","0.1905","0.2215","","","","","","1.034","","","","has coordinates,has disorder","175967","2020-10-21","18:00:00",""
"7223584","24.958","0.003","24.958","0.003","13.8496","0.0019","90","","90","","90","","8626.9","1.9","173","2","173","2","","","","","","","","8","I -4 2 d","I -4 2bw","122","","","","- C30 H42 Ag F6 N4 O3 S4 Sb -","- C30 H36 Ag F6 N4 O3 S4 Sb -","- C240 H288 Ag8 F48 N32 O24 S32 Sb8 -","8","0.5","","Ovsyannikov, A. S.; Noamane, M. H.; Abidi, R.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: dimensionality and geometry control of silver coordination networks based on pyrazolyl appended thiacalixarenes","CrystEngComm","2016","18","5","691","","10.1039/C5CE02310F","","","0.71073","MoKα","","0.1457","0.1092","","","0.3064","0.332","","","","","","1.005","","","","has coordinates","175967","2020-10-21","18:00:00",""
"7223585","24.2538","0.0009","24.2538","0.0009","13.6809","0.0005","90","","90","","90","","8047.7","0.5","173","2","173","2","","","","","","","","8","I -4 2 d","I -4 2bw","122","","","","- C30 H42 Ag F6 N4 O3 P S4 -","- C30 H36 Ag F6 N4 O3 P S4 -","- C240 H288 Ag8 F48 N32 O24 P8 S32 -","8","0.5","","Ovsyannikov, A. S.; Noamane, M. H.; Abidi, R.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: dimensionality and geometry control of silver coordination networks based on pyrazolyl appended thiacalixarenes","CrystEngComm","2016","18","5","691","","10.1039/C5CE02310F","","","0.71073","MoKα","","0.0535","0.0495","","","0.1563","0.1644","","","","","","1.009","","","","has coordinates","175967","2020-10-21","18:00:00",""
"7223586","16.0983","0.0005","16.0983","0.0005","54.7728","0.0015","90","","90","","90","","14194.7","0.7","173","2","173","2","","","","","","","","8","I 41/a","-I 4ad","88","","","","- C60 H74 Ag2 B2 F8 N8 O S8 -","- C60 H72 Ag2 B2 F8 N8 O S8 -","- C480 H576 Ag16 B16 F64 N64 O8 S64 -","8","","","Ovsyannikov, A. S.; Noamane, M. H.; Abidi, R.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: dimensionality and geometry control of silver coordination networks based on pyrazolyl appended thiacalixarenes","CrystEngComm","2016","18","5","691","","10.1039/C5CE02310F","","","0.71073","MoKα","","0.1221","0.0796","","","0.2152","0.2376","","","","","","1.078","","","","has coordinates","175967","2020-10-21","18:00:00",""
"7223587","24.4165","0.0008","24.4165","0.0008","13.7457","0.0004","90","","90","","90","","8194.7","0.4","173","2","173","2","","","","","","","","8","I -4 2 d","I -4 2bw","122","","","","- C30 H42 Ag As F6 N4 O3 S4 -","- C30 H36 Ag As F6 N4 O3 S4 -","- C240 H288 Ag8 As8 F48 N32 O24 S32 -","8","0.5","","Ovsyannikov, A. S.; Noamane, M. H.; Abidi, R.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: dimensionality and geometry control of silver coordination networks based on pyrazolyl appended thiacalixarenes","CrystEngComm","2016","18","5","691","","10.1039/C5CE02310F","","","0.71073","MoKα","","0.0602","0.0485","","","0.1444","0.1516","","","","","","1.008","","","","has coordinates","175967","2020-10-21","18:00:00",""
"7223588","16.8948","0.0003","14.6737","0.0003","30.1055","0.0006","90","","90.706","0.001","90","","7462.9","0.3","173","2","173","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C69 H89 Ag Cl3 F6 N8 O4 S4 Sb -","- C69 H89 Ag Cl3 F6 N8 O4 S4 Sb -","- C276 H356 Ag4 Cl12 F24 N32 O16 S16 Sb4 -","4","1","","Ovsyannikov, A. S.; Noamane, M. H.; Abidi, R.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: dimensionality and geometry control of silver coordination networks based on pyrazolyl appended thiacalixarenes","CrystEngComm","2016","18","5","691","","10.1039/C5CE02310F","","","0.71073","MoKα","","0.0806","0.0591","","","0.1543","0.1704","","","","","","1.023","","","","has coordinates","175967","2020-10-21","18:00:00",""
"7223589","22.7969","0.0011","17.2741","0.0008","19.4952","0.0009","90","","103.786","0.0009","90","","7456","0.6","173","2","173","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C68 H94 Ag B F4 N8 O7 S4 -","- C68 H88 Ag B F4 N8 O7 S4 -","- C272 H352 Ag4 B4 F16 N32 O28 S16 -","4","1","","Ovsyannikov, A. S.; Noamane, M. H.; Abidi, R.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: dimensionality and geometry control of silver coordination networks based on pyrazolyl appended thiacalixarenes","CrystEngComm","2016","18","5","691","","10.1039/C5CE02310F","","","0.71073","MoKα","","0.1232","0.0829","","","0.2117","0.2471","","","","","","1.022","","","","has coordinates","175967","2020-10-21","18:00:00",""
"7223590","34.813","0.003","20.6402","0.0019","16.304","0.0015","90","","102.678","0.001","90","","11429.6","1.8","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","cageAg3PF6","","","- C110 H140 Ag3 F18 N12 O12 P3 -","- C102 H124 Ag3 F18 N12 O8 P3 -","- C408 H496 Ag12 F72 N48 O32 P12 -","4","1","","Tominaga, Masahide; Kawaguchi, Taichi; Ohara, Kazuaki; Yamaguchi, Kentaro; Masu, Hyuma; Azumaya, Isao","Synthesis and crystal structures of twisted three-dimensional assemblies of adamantane-bridged tris-NHC ligands and AgI","CrystEngComm","2016","18","2","266","","10.1039/C5CE01860A","","","0.71073","MoKα","","0.1336","0.0707","","","0.1916","0.2158","","","","","","0.959","","","","has coordinates,has disorder","171670","2020-10-21","18:00:00",""
"7223591","19.0224","0.0007","15.7764","0.0007","38.4287","0.0015","90","","102.187","0.002","90","","11272.7","0.8","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Ag0.4 F2.4 N1.73 O0.53 P0.4 -","- C16 H16 Ag0.4 F2.4 N1.73333 O0.533333 P0.4 -","- C480 H480 Ag12 F72 N52 O16 P12 -","30","7.5","","Tominaga, Masahide; Kawaguchi, Taichi; Ohara, Kazuaki; Yamaguchi, Kentaro; Masu, Hyuma; Azumaya, Isao","Synthesis and crystal structures of twisted three-dimensional assemblies of adamantane-bridged tris-NHC ligands and AgI","CrystEngComm","2016","18","2","266","","10.1039/C5CE01860A","","","1.54178","CuKα","","0.0719","0.0532","","","0.1322","0.1438","","","","","","1.009","","","","has coordinates,has disorder","171670","2020-10-21","18:00:00",""
"7223596","10.5124","0.0003","10.558","0.0003","20.3568","0.0007","90","","97.39","0.003","90","","2240.63","0.12","296","2","296","2","","","","","","","","3","C 1 c 1","C -2yc","9","","(1,2,2-triiodovinyl)benzene","","- C8 H5 I3 -","- C8 H5 I3 -","- C64 H40 I24 -","8","2","","Berger, G.; Robeyns, K.; Soubhye, J.; Wintjens, R.; Meyer, F.","Halogen bonding in a multi-connected 1,2,2-triiodo-alkene involving geminal and/or vicinal iodines: a crystallographic and DFT study","CrystEngComm","2016","18","5","683","","10.1039/C5CE02230D","","","0.71073","MoKα","","0.0777","0.0726","","","0.2182","0.2233","","","","","","1.056","","","","has coordinates,has disorder","175968","2020-10-21","18:00:00",""
"7223597","10.8729","0.0004","13.4826","0.0005","14.3867","0.0005","87.715","0.001","69.113","0.001","72.445","0.001","1873.23","0.12","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H58 Cu3 Mo8 N12 O50 -","- C48 H32 Cu3 Mo8 N12 O50 -","- C48 H32 Cu3 Mo8 N12 O50 -","1","0.5","","Wang, Xiuli; Liu, Danna; Lin, Hongyan; Liu, Guocheng; Wang, Xiang; Le, Mao; Rong, Xing","pH, solvent and metal ion induced octamolybdate-based metal‒organic complexes decorated with a pyridyl-carboxylate ligand containing an amide group","CrystEngComm","2016","18","6","888","","10.1039/C5CE02297E","","","0.71073","MoKα","","0.0341","0.028","","","0.0746","0.0772","","","","","","1.048","","","","has coordinates","175957","2020-10-21","18:00:00",""
"7223598","9.9421","0.0005","10.2311","0.0005","11.0928","0.0005","84.353","0.001","89.574","0.001","88.018","0.001","1122.19","0.09","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H10 Cu Mo4 N3 O17 -","- C12 H8 Cu Mo4 N3 O17 -","- C24 H16 Cu2 Mo8 N6 O34 -","2","1","","Wang, Xiuli; Liu, Danna; Lin, Hongyan; Liu, Guocheng; Wang, Xiang; Le, Mao; Rong, Xing","pH, solvent and metal ion induced octamolybdate-based metal‒organic complexes decorated with a pyridyl-carboxylate ligand containing an amide group","CrystEngComm","2016","18","6","888","","10.1039/C5CE02297E","","","0.71073","MoKα","","0.0282","0.0243","","","0.0637","0.0654","","","","","","1.064","","","","has coordinates","175957","2020-10-21","18:00:00",""
"7223599","12.1956","0.0009","12.8736","0.001","14.2679","0.0011","81.879","0.002","71.871","0.001","76.485","0.001","2064.2","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H50 Co3 Mo8 N12 O46 -","- C48 H32 Co3 Mo8 N12 O46 -","- C48 H32 Co3 Mo8 N12 O46 -","1","0.5","","Wang, Xiuli; Liu, Danna; Lin, Hongyan; Liu, Guocheng; Wang, Xiang; Le, Mao; Rong, Xing","pH, solvent and metal ion induced octamolybdate-based metal‒organic complexes decorated with a pyridyl-carboxylate ligand containing an amide group","CrystEngComm","2016","18","6","888","","10.1039/C5CE02297E","","","0.71073","MoKα","","0.0384","0.0306","","","0.0791","0.0823","","","","","","1.046","","","","has coordinates","175957","2020-10-21","18:00:00",""
"7223612","16.5478","0.001","16.5478","0.0012","12.4353","0.0015","90","","90","","120","","2949","0.5","173","2","173","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C16 H15 Ag2 N3 O6 -","- C16 H15 Ag2 N3 O6 -","- C96 H90 Ag12 N18 O36 -","6","0.5","","Zhang, Ting; Huang, Hua-Qi; Cheng, Xiao-Yue; Guo, Dong; Mei, Hong-Xin; Huang, Rong-Bin; Zheng, Lan-Sun","The synthesis and chiral crystal structures of two enantiomers of a Ag helical coordination polymer based on argentophilicity","CrystEngComm","2016","18","5","670","","10.1039/C5CE01948F","","","0.71073","MoKα","","0.0618","0.056","","","0.1504","0.1542","","","","","","1.097","","","","has coordinates","175966","2020-10-21","18:00:00",""
"7223613","16.5272","0.0005","16.5272","0.0005","12.7024","0.0005","90","","90","","120","","3004.8","0.17","293","2","293","2","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C16 H15 Ag2 N3 O6 -","- C16 H15 Ag2 N3 O6 -","- C96 H90 Ag12 N18 O36 -","6","0.5","","Zhang, Ting; Huang, Hua-Qi; Cheng, Xiao-Yue; Guo, Dong; Mei, Hong-Xin; Huang, Rong-Bin; Zheng, Lan-Sun","The synthesis and chiral crystal structures of two enantiomers of a Ag helical coordination polymer based on argentophilicity","CrystEngComm","2016","18","5","670","","10.1039/C5CE01948F","","","1.54184","CuKα","","0.0557","0.0467","","","0.1433","0.1525","","","","","","1.112","","","","has coordinates","175966","2020-10-21","18:00:00",""
"7223614","8.3971","0.0002","8.3248","0.0003","9.1806","0.0003","90","","91.672","0.003","90","","641.49","0.03","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H4 I N O -","- C5 H4 I N O -","- C20 H16 I4 N4 O4 -","4","1","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Rissanen, Kari","Inclusion complexes of Cethyl-2-methylresorcinarene and pyridine N-oxides: breaking the C‒I⋯−O‒N+halogen bond by host‒guest complexation","CrystEngComm","2016","18","5","793","","10.1039/C5CE02354H","","x-ray","0.71073","MoKα","","0.0313","0.0278","","","0.0692","0.0724","","","","","","1.072","","","","has coordinates","175970","2020-10-21","18:00:00",""
"7223615","12.4821","0.0003","15.644","0.0005","23.8049","0.0007","95.809","0.003","99.751","0.002","106.037","0.002","4348.9","0.2","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C45 H58 I N O12 -","- C45 H58 I N O12 -","- C180 H232 I4 N4 O48 -","4","2","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Rissanen, Kari","Inclusion complexes of Cethyl-2-methylresorcinarene and pyridine N-oxides: breaking the C‒I⋯−O‒N+halogen bond by host‒guest complexation","CrystEngComm","2016","18","5","793","","10.1039/C5CE02354H","","x-ray","1.54184","CuKα","","0.1009","0.0722","","","0.1809","0.2095","","","","","","1.04","","","","has coordinates","175970","2020-10-21","18:00:00",""
"7223616","12.559","0.003","24.734","0.005","14.682","0.003","90","","90.28","0.03","90","","4560.7","1.7","170","","170","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C52 H62 N2 O10 -","- C52 H62 N2 O10 -","- C208 H248 N8 O40 -","4","1","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Rissanen, Kari","Inclusion complexes of Cethyl-2-methylresorcinarene and pyridine N-oxides: breaking the C‒I⋯−O‒N+halogen bond by host‒guest complexation","CrystEngComm","2016","18","5","793","","10.1039/C5CE02354H","","","0.71073","MoKα","","0.1197","0.0624","","","0.1372","0.1622","","","","","","1.014","","","","has coordinates","175970","2020-10-21","18:00:00",""
"7223617","11.929","0.002","12.698","0.003","17.705","0.004","76.17","0.03","75.84","0.03","84.38","0.03","2522.8","1","170","","170","","","","","","","","","4","P -1","-P 1","2","","","","- C107 H135 N4 O23 -","- C107 H135 N4 O23 -","- C107 H135 N4 O23 -","1","0.5","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Rissanen, Kari","Inclusion complexes of Cethyl-2-methylresorcinarene and pyridine N-oxides: breaking the C‒I⋯−O‒N+halogen bond by host‒guest complexation","CrystEngComm","2016","18","5","793","","10.1039/C5CE02354H","","","0.71073","MoKα","","0.1659","0.0979","","","0.2502","0.2987","","","","","","1.031","","","","has coordinates,has disorder","175970","2020-10-21","18:00:00",""
"7223618","9.136","0.0018","11.097","0.002","22.784","0.005","92.12","0.03","96.27","0.03","103.65","0.03","2226.5","0.8","170","","170","","","","","","","","","4","P -1","-P 1","2","","","","- C48 H63 N O12 -","- C48 H63 N O12 -","- C96 H126 N2 O24 -","2","1","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Rissanen, Kari","Inclusion complexes of Cethyl-2-methylresorcinarene and pyridine N-oxides: breaking the C‒I⋯−O‒N+halogen bond by host‒guest complexation","CrystEngComm","2016","18","5","793","","10.1039/C5CE02354H","","","0.71073","MoKα","","0.0733","0.0534","","","0.1222","0.133","","","","","","1.023","","","","has coordinates,has disorder","175970","2020-10-21","18:00:00",""
"7223619","12.672","0.003","24.549","0.005","16.932","0.003","90","","103.57","0.03","90","","5120.2","1.9","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C52 H78 N2 O14 -","- C52 H78 N2 O14 -","- C208 H312 N8 O56 -","4","1","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Rissanen, Kari","Inclusion complexes of Cethyl-2-methylresorcinarene and pyridine N-oxides: breaking the C‒I⋯−O‒N+halogen bond by host‒guest complexation","CrystEngComm","2016","18","5","793","","10.1039/C5CE02354H","","","0.71073","MoKα","","0.1217","0.0743","","","0.1897","0.2168","","","","","","1.031","","","","has coordinates,has disorder","175970","2020-10-21","18:00:00",""
"7223621","9.706","0.0008","9.8389","0.0009","20.4971","0.0018","91.899","0.001","92.021","0.001","109.147","0.002","1845.9","0.3","298","2","298.15","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H32 Co N4 O8 -","- C46 H32 Co N4 O8 -","- C92 H64 Co2 N8 O16 -","2","1","","Mu, Bao; Huang, Ru-Dan","A series of coordination polymers with tuned terphenyl tetracarboxylates and bis-pyridyl ligands with different flexibilities manifesting fluorescence properties and photocatalytic activities","CrystEngComm","2016","18","6","986","","10.1039/C5CE02174J","","","0.71073","MoKα","","0.1126","0.0472","","","0.0755","0.0853","","","","","","0.9893","","","","has coordinates","175956","2020-10-21","18:00:00",""
"7223622","9.2805","0.0007","10.7128","0.0008","17.9162","0.0015","103.41","0.002","102.141","0.002","94.265","0.001","1679.6","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H32 Co2 N4 O9 -","- C38 H32 Co2 N4 O9 -","- C76 H64 Co4 N8 O18 -","2","1","","Mu, Bao; Huang, Ru-Dan","A series of coordination polymers with tuned terphenyl tetracarboxylates and bis-pyridyl ligands with different flexibilities manifesting fluorescence properties and photocatalytic activities","CrystEngComm","2016","18","6","986","","10.1039/C5CE02174J","","","0.71073","MoKα","","0.0987","0.0523","","","0.0769","0.0839","","","","","","0.984","","","","has coordinates","175956","2020-10-21","18:00:00",""
"7223623","6.615","0.0005","10.2951","0.0009","14.1409","0.0012","111.3","0.002","92.619","0.001","96.173","0.001","888.3","0.13","298","2","298.15","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H32 Co N4 O12 -","- C38 H32 Co N4 O12 -","- C38 H32 Co N4 O12 -","1","0.5","","Mu, Bao; Huang, Ru-Dan","A series of coordination polymers with tuned terphenyl tetracarboxylates and bis-pyridyl ligands with different flexibilities manifesting fluorescence properties and photocatalytic activities","CrystEngComm","2016","18","6","986","","10.1039/C5CE02174J","","","0.71073","MoKα","","0.0721","0.0531","","","0.1251","0.1368","","","","","","0.9988","","","","has coordinates,has disorder","175956","2020-10-21","18:00:00",""
"7223624","9.3587","0.0007","9.74","0.0008","10.5441","0.0009","68.781","0.001","64.02","0.001","88.873","0.002","794.29","0.11","293","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H30 N2 Ni O12 -","- C34 H30 N2 Ni O12 -","- C34 H30 N2 Ni O12 -","1","0.5","","Mu, Bao; Huang, Ru-Dan","A series of coordination polymers with tuned terphenyl tetracarboxylates and bis-pyridyl ligands with different flexibilities manifesting fluorescence properties and photocatalytic activities","CrystEngComm","2016","18","6","986","","10.1039/C5CE02174J","","","0.71073","MoKα","","0.0702","0.0509","","","0.0898","0.1034","","","","","","1.046","","","","has coordinates","175956","2020-10-21","18:00:00",""
"7223625","8.952","0.0007","10.1019","0.0009","10.887","0.002","90.87","0.001","104.28","0.001","111.042","0.002","884.61","0.19","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H15 N2 Ni O4 -","- C19 H15 N2 Ni O4 -","- C38 H30 N4 Ni2 O8 -","2","1","","Mu, Bao; Huang, Ru-Dan","A series of coordination polymers with tuned terphenyl tetracarboxylates and bis-pyridyl ligands with different flexibilities manifesting fluorescence properties and photocatalytic activities","CrystEngComm","2016","18","6","986","","10.1039/C5CE02174J","","","0.71073","MoKα","","0.1491","0.0862","","","0.1758","0.1906","","","","","","0.996","","","","has coordinates","175956","2020-10-21","18:00:00",""
"7223626","8.051","0.0008","10.0389","0.0009","18.4301","0.0015","87.918","0.002","79.934","0.001","87.256","0.002","1464.4","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H26 Cd N2 O10 -","- C34 H26 Cd N2 O10 -","- C68 H52 Cd2 N4 O20 -","2","1","","Mu, Bao; Huang, Ru-Dan","A series of coordination polymers with tuned terphenyl tetracarboxylates and bis-pyridyl ligands with different flexibilities manifesting fluorescence properties and photocatalytic activities","CrystEngComm","2016","18","6","986","","10.1039/C5CE02174J","","","0.71073","MoKα","","0.1118","0.0983","","","0.2609","0.2766","","","","","","1.079","","","","has coordinates","175956","2020-10-21","18:00:00",""
"7223627","11.105","0.0011","19.2931","0.0016","15.0216","0.0011","90","","125.643","0.005","90","","2615.5","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H20 Cd2 N2 O10 -","- C30 H20 Cd2 N2 O10 -","- C120 H80 Cd8 N8 O40 -","4","1","","Mu, Bao; Huang, Ru-Dan","A series of coordination polymers with tuned terphenyl tetracarboxylates and bis-pyridyl ligands with different flexibilities manifesting fluorescence properties and photocatalytic activities","CrystEngComm","2016","18","6","986","","10.1039/C5CE02174J","","","0.71073","MoKα","","0.1531","0.081","","","0.1595","0.1776","","","","","","1.028","","","","has coordinates","175956","2020-10-21","18:00:00",""
"7223633","21.2904","0.0004","21.2904","0.0004","19.3576","0.0007","90","","90","","90","","8774.4","0.4","296","2","296","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C83 H75 Eu4 N O37 -","- C83 H75 Eu4 N O37 -","- C332 H300 Eu16 N4 O148 -","4","0.5","","Zhao, Jie; Wang, Xin; Zhao, Jing; Luo, Rui; Shen, Xuan; Zhu, Dunru; Jing, Su","[Ln4@Ln4] matryoshka tetrahedron: a novel secondary building unit","CrystEngComm","2016","18","6","863","","10.1039/C5CE02417J","","","0.71073","MoKα","","0.0478","0.0306","","","0.0723","0.0778","","","","","","1.048","","","","has coordinates,has disorder","175964","2020-10-21","18:00:00",""
"7223634","21.2232","0.0006","21.2232","0.0006","19.346","0.0011","90","","90","","90","","8713.9","0.6","150","2","150","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C83 H75 Gd4 N O37 -","- C83 H75 Gd4 N O37 -","- C332 H300 Gd16 N4 O148 -","4","0.5","","Zhao, Jie; Wang, Xin; Zhao, Jing; Luo, Rui; Shen, Xuan; Zhu, Dunru; Jing, Su","[Ln4@Ln4] matryoshka tetrahedron: a novel secondary building unit","CrystEngComm","2016","18","6","863","","10.1039/C5CE02417J","","","0.71073","MoKα","","0.0438","0.0329","","","0.0825","0.0874","","","","","","1.071","","","","has coordinates,has disorder","175964","2020-10-21","18:00:00",""
"7223635","21.1619","0.0009","21.1619","0.0009","19.2599","0.0015","90","","90","","90","","8625.1","0.8","150","2","150","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C83 H75 Dy4 N O37 -","- C83 H75 Dy4 N O37 -","- C332 H300 Dy16 N4 O148 -","4","0.5","","Zhao, Jie; Wang, Xin; Zhao, Jing; Luo, Rui; Shen, Xuan; Zhu, Dunru; Jing, Su","[Ln4@Ln4] matryoshka tetrahedron: a novel secondary building unit","CrystEngComm","2016","18","6","863","","10.1039/C5CE02417J","","","0.71073","MoKα","","0.0568","0.0366","","","0.085","0.0917","","","","","","1.033","","","","has coordinates,has disorder","175964","2020-10-21","18:00:00",""
"7223636","8.8422","0.0014","20.71","0.004","18.256","0.003","90","","111.944","0.01","90","","3100.9","1","296.15","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 Br Eu N4 O10 -","- C34 H26 Br Eu N4 O10 -","- C136 H104 Br4 Eu4 N16 O40 -","4","1","","Xu, Cong; Kirillov, Alexander M.; Shu, Yubo; Liu, Yan; Guo, Lirong; Yang, Lizi; Dou, Wei; Liu, Wei; Chen, Chunyang; Huang, Xin; Zhang, Jiayao; Liu, Weisheng","Photoluminescence enhancement induced by a halide anion encapsulation in a series of novel lanthanide(iii) coordination polymers","CrystEngComm","2016","18","7","1190","","10.1039/C5CE01901J","","","0.71073","MoKα","","0.1052","0.0492","","","0.077","0.0917","","","","","","0.964","","","","has coordinates","177734","2020-10-21","18:00:00",""
"7223637","8.8847","0.0013","20.515","0.003","18.2437","0.0018","90","","111.624","0.005","90","","3091.2","0.7","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 Br0.5 Cl0.5 Eu N4 O10 -","- C34 H26 Br0.5 Cl0.5 Eu N4 O10 -","- C136 H104 Br2 Cl2 Eu4 N16 O40 -","4","1","","Xu, Cong; Kirillov, Alexander M.; Shu, Yubo; Liu, Yan; Guo, Lirong; Yang, Lizi; Dou, Wei; Liu, Wei; Chen, Chunyang; Huang, Xin; Zhang, Jiayao; Liu, Weisheng","Photoluminescence enhancement induced by a halide anion encapsulation in a series of novel lanthanide(iii) coordination polymers","CrystEngComm","2016","18","7","1190","","10.1039/C5CE01901J","","","0.71073","MoKα","","0.0865","0.0562","","","0.1379","0.1564","","","","","","1.066","","","","has coordinates","177734","2020-10-21","18:00:00",""
"7223638","8.8828","0.0008","20.4075","0.0016","18.1897","0.0015","90","","111.389","0.005","90","","3070.2","0.5","296.15","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 Cl Eu N4 O10 -","- C34 H26 Cl Eu N4 O10 -","- C136 H104 Cl4 Eu4 N16 O40 -","4","1","","Xu, Cong; Kirillov, Alexander M.; Shu, Yubo; Liu, Yan; Guo, Lirong; Yang, Lizi; Dou, Wei; Liu, Wei; Chen, Chunyang; Huang, Xin; Zhang, Jiayao; Liu, Weisheng","Photoluminescence enhancement induced by a halide anion encapsulation in a series of novel lanthanide(iii) coordination polymers","CrystEngComm","2016","18","7","1190","","10.1039/C5CE01901J","","","0.71073","MoKα","","0.1571","0.0762","","","0.1439","0.1777","","","","","","1.013","","","","has coordinates","177734","2020-10-21","18:00:00",""
"7223639","8.86","0.005","20.463","0.011","18.141","0.008","90","","111.41","0.02","90","","3062","3","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 Cl N4 O10 Tb -","- C34 H26 Cl N4 O10 Tb -","- C136 H104 Cl4 N16 O40 Tb4 -","4","1","","Xu, Cong; Kirillov, Alexander M.; Shu, Yubo; Liu, Yan; Guo, Lirong; Yang, Lizi; Dou, Wei; Liu, Wei; Chen, Chunyang; Huang, Xin; Zhang, Jiayao; Liu, Weisheng","Photoluminescence enhancement induced by a halide anion encapsulation in a series of novel lanthanide(iii) coordination polymers","CrystEngComm","2016","18","7","1190","","10.1039/C5CE01901J","","","0.71073","MoKα","","0.0632","0.0404","","","0.0863","0.0949","","","","","","1.026","","","","has coordinates","177734","2020-10-21","18:00:00",""
"7223640","8.844","0.0012","20.509","0.003","18.1951","0.0018","90","","111.645","0.005","90","","3067.5","0.7","296","","296","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 Br0.5 Cl0.5 N4 O10 Tb -","- C34 H26 Br0.5 Cl0.5 N4 O10 Tb -","- C136 H104 Br2 Cl2 N16 O40 Tb4 -","4","1","","Xu, Cong; Kirillov, Alexander M.; Shu, Yubo; Liu, Yan; Guo, Lirong; Yang, Lizi; Dou, Wei; Liu, Wei; Chen, Chunyang; Huang, Xin; Zhang, Jiayao; Liu, Weisheng","Photoluminescence enhancement induced by a halide anion encapsulation in a series of novel lanthanide(iii) coordination polymers","CrystEngComm","2016","18","7","1190","","10.1039/C5CE01901J","","","0.71073","MoKα","","0.0585","0.0459","","","0.1228","0.132","","","","","","1.059","","","","has coordinates","177734","2020-10-21","18:00:00",""
"7223641","23.6157","0.0017","9.9206","0.0007","27.2126","0.0017","90","","96.51","0.004","90","","6334.3","0.8","296","2","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H26 Br N4 O10 Tb -","- C34 H26 Br N4 O10 Tb -","- C272 H208 Br8 N32 O80 Tb8 -","8","1","","Xu, Cong; Kirillov, Alexander M.; Shu, Yubo; Liu, Yan; Guo, Lirong; Yang, Lizi; Dou, Wei; Liu, Wei; Chen, Chunyang; Huang, Xin; Zhang, Jiayao; Liu, Weisheng","Photoluminescence enhancement induced by a halide anion encapsulation in a series of novel lanthanide(iii) coordination polymers","CrystEngComm","2016","18","7","1190","","10.1039/C5CE01901J","","","0.71073","MoKα","","0.0628","0.035","","","0.0643","0.0734","","","","","","0.999","","","","has coordinates","177734","2020-10-21","18:00:00",""
"7223642","8.8072","0.0006","20.3895","0.0018","18.0976","0.0018","90","","110.985","0.007","90","","3034.3","0.5","295.06","0.1","295.06","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 Cl Gd N4 O10 -","- C34 H26 Cl Gd N4 O10 -","- C136 H104 Cl4 Gd4 N16 O40 -","4","1","","Xu, Cong; Kirillov, Alexander M.; Shu, Yubo; Liu, Yan; Guo, Lirong; Yang, Lizi; Dou, Wei; Liu, Wei; Chen, Chunyang; Huang, Xin; Zhang, Jiayao; Liu, Weisheng","Photoluminescence enhancement induced by a halide anion encapsulation in a series of novel lanthanide(iii) coordination polymers","CrystEngComm","2016","18","7","1190","","10.1039/C5CE01901J","","x-ray","0.71073","MoKα","","0.0916","0.0654","","","0.151","0.1694","","","","","","1.092","","","","has coordinates","177734","2020-10-21","18:00:00",""
"7223643","8.7794","0.0004","20.4692","0.0008","18.1663","0.0007","90","","111.26","0.004","90","","3042.4","0.2","295.06","0.1","295.06","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 Br0.5 Cl0.5 Gd N4 O10 -","- C34 H26 Br0.5 Cl0.5 Gd N4 O10 -","- C136 H104 Br2 Cl2 Gd4 N16 O40 -","4","1","","Xu, Cong; Kirillov, Alexander M.; Shu, Yubo; Liu, Yan; Guo, Lirong; Yang, Lizi; Dou, Wei; Liu, Wei; Chen, Chunyang; Huang, Xin; Zhang, Jiayao; Liu, Weisheng","Photoluminescence enhancement induced by a halide anion encapsulation in a series of novel lanthanide(iii) coordination polymers","CrystEngComm","2016","18","7","1190","","10.1039/C5CE01901J","","x-ray","0.71","MoKα","","0.0803","0.0585","","","0.1326","0.153","","","","","","1.051","","","","has coordinates","177734","2020-10-21","18:00:00",""
"7223644","8.865","0.013","20.83","0.03","18.31","0.03","90","","111.81","0.06","90","","3139","8","293","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 Br Gd N4 O10 -","- C34 H26 Br Gd N4 O10 -","- C136 H104 Br4 Gd4 N16 O40 -","4","1","","Xu, Cong; Kirillov, Alexander M.; Shu, Yubo; Liu, Yan; Guo, Lirong; Yang, Lizi; Dou, Wei; Liu, Wei; Chen, Chunyang; Huang, Xin; Zhang, Jiayao; Liu, Weisheng","Photoluminescence enhancement induced by a halide anion encapsulation in a series of novel lanthanide(iii) coordination polymers","CrystEngComm","2016","18","7","1190","","10.1039/C5CE01901J","","","0.71073","MoKα","","0.0864","0.0478","","","0.1003","0.1174","","","","","","1.009","","","","has coordinates","177734","2020-10-21","18:00:00",""
"7223645","9.8308","0.0005","12.7386","0.0005","14.0472","0.0006","80.597","0.004","84.851","0.004","88.345","0.004","1728.32","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H20 Cl4 N16 O Zn3 -","- C28 H20 Cl4 N16 O Zn3 -","- C56 H40 Cl8 N32 O2 Zn6 -","2","1","","Yao, Peng-Fei; Liu, Han-Fu; Huang, Fu-Ping; Feng, Fang-lin; Qin, Xiao-Huan; Huang, Mei-Li; Yu, Qing; Bian, He-Dong","A family of Zn(ii)/Cd(ii) halide systems incorporating 5,5′-di(pyridin-2-yl)-3,3′-bi(1,2,4-triazole)","CrystEngComm","2016","18","6","938","","10.1039/C5CE02236C","","","0.7107","MoKα","","0.1083","0.0575","","","0.0753","0.0917","","","","","","0.973","","","","has coordinates","175965","2020-10-21","18:00:00",""
"7223646","8.481","0.0004","17.5518","0.0005","18.3575","0.0005","90","","90","","90","","2732.64","0.17","293","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C20 H8 Cl3 N9 Zn2 -","- C20 H8 Cl3 N9 Zn2 -","- C80 H32 Cl12 N36 Zn8 -","4","0.5","","Yao, Peng-Fei; Liu, Han-Fu; Huang, Fu-Ping; Feng, Fang-lin; Qin, Xiao-Huan; Huang, Mei-Li; Yu, Qing; Bian, He-Dong","A family of Zn(ii)/Cd(ii) halide systems incorporating 5,5′-di(pyridin-2-yl)-3,3′-bi(1,2,4-triazole)","CrystEngComm","2016","18","6","938","","10.1039/C5CE02236C","","","0.7107","MoKα","","0.0945","0.0565","","","0.1365","0.1523","","","","","","1.045","","","","has coordinates,has disorder","175965","2020-10-21","18:00:00",""
"7223647","21.4709","0.0014","21.4709","0.0014","11.969","0.0011","90","","90","","120","","4778.5","0.6","293","2","293","2","","","","","","","","6","R -3","-R 3","148","","","","- C42 H24 Cd6 Cl6 N24 O2 -","- C42 H24 Cd6 Cl6 N24 O2 -","- C126 H72 Cd18 Cl18 N72 O6 -","3","","","Yao, Peng-Fei; Liu, Han-Fu; Huang, Fu-Ping; Feng, Fang-lin; Qin, Xiao-Huan; Huang, Mei-Li; Yu, Qing; Bian, He-Dong","A family of Zn(ii)/Cd(ii) halide systems incorporating 5,5′-di(pyridin-2-yl)-3,3′-bi(1,2,4-triazole)","CrystEngComm","2016","18","6","938","","10.1039/C5CE02236C","","","0.7107","MoKα","","0.0703","0.0435","","","0.0851","0.1011","","","","","","1.087","","","","has coordinates,has disorder","175965","2020-10-21","18:00:00",""
"7223648","22.0601","0.0014","22.0601","0.0014","11.9194","0.0015","90","","90","","120","","5023.4","0.8","293","2","293","2","","","","","","","","6","R -3","-R 3","148","","","","- C42 H24 Cd6 I6 N24 O -","- C42 H24 Cd6 I6 N24 O0.98 -","- C126 H72 Cd18 I18 N72 O2.94 -","3","","","Yao, Peng-Fei; Liu, Han-Fu; Huang, Fu-Ping; Feng, Fang-lin; Qin, Xiao-Huan; Huang, Mei-Li; Yu, Qing; Bian, He-Dong","A family of Zn(ii)/Cd(ii) halide systems incorporating 5,5′-di(pyridin-2-yl)-3,3′-bi(1,2,4-triazole)","CrystEngComm","2016","18","6","938","","10.1039/C5CE02236C","","","0.7107","MoKα","","0.0592","0.0473","","","0.1167","0.1262","","","","","","1.049","","","","has coordinates","175965","2020-10-21","18:00:00",""
"7223649","13.269","0.002","15.3212","0.0014","9.0739","0.0011","90","","94.921","0.016","90","","1837.9","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Br2 Cd2 N8 O -","- C14 H10 Br2 Cd2 N8 O -","- C56 H40 Br8 Cd8 N32 O4 -","4","1","","Yao, Peng-Fei; Liu, Han-Fu; Huang, Fu-Ping; Feng, Fang-lin; Qin, Xiao-Huan; Huang, Mei-Li; Yu, Qing; Bian, He-Dong","A family of Zn(ii)/Cd(ii) halide systems incorporating 5,5′-di(pyridin-2-yl)-3,3′-bi(1,2,4-triazole)","CrystEngComm","2016","18","6","938","","10.1039/C5CE02236C","","","0.7107","MoKα","","0.1191","0.0648","","","0.1381","0.1686","","","","","","1.028","","","","has coordinates","175965","2020-10-21","18:00:00",""
"7223650","7.5634","0.0004","10.2048","0.0004","14.7545","0.0007","77.097","0.004","84.449","0.004","88.279","0.004","1104.79","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H10 Cd2 I4 N8 -","- C14 H10 Cd2 I4 N8 -","- C28 H20 Cd4 I8 N16 -","2","1","","Yao, Peng-Fei; Liu, Han-Fu; Huang, Fu-Ping; Feng, Fang-lin; Qin, Xiao-Huan; Huang, Mei-Li; Yu, Qing; Bian, He-Dong","A family of Zn(ii)/Cd(ii) halide systems incorporating 5,5′-di(pyridin-2-yl)-3,3′-bi(1,2,4-triazole)","CrystEngComm","2016","18","6","938","","10.1039/C5CE02236C","","","0.7107","MoKα","","0.0658","0.055","","","0.1465","0.1563","","","","","","1.044","","","","has coordinates","175965","2020-10-21","18:00:00",""
"7223651","16.0033","0.0007","11.5923","0.0005","22.053","0.001","90","","94.549","0.002","90","","4078.3","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C72 H104 O28 S8 -","- C72 H96 O28 S8 -","- C144 H192 O56 S16 -","2","0.5","","Pfeiffer, Constance R.; Feaster, Kyle A.; Dalgarno, Scott J.; Atwood, Jerry L.","Syntheses and characterization of aryl-substituted pyrogallol[4]arenes and resorcin[4]arenes","CrystEngComm","2016","18","2","222","","10.1039/C5CE01792K","","","0.71073","MoKα","","0.1084","0.0705","","","0.1585","0.1818","","","","","","1.024","","","","has coordinates,has disorder","171865","2020-10-21","18:00:00",""
"7223652","13.312","0.0003","17.0039","0.0004","22.7649","0.0005","105.34","0.001","102.612","0.001","106.369","0.001","4522.76","0.19","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C84 H132 O30 S14 -","- C56 H36 O16 -","- C112 H72 O32 -","2","1","","Pfeiffer, Constance R.; Feaster, Kyle A.; Dalgarno, Scott J.; Atwood, Jerry L.","Syntheses and characterization of aryl-substituted pyrogallol[4]arenes and resorcin[4]arenes","CrystEngComm","2016","18","2","222","","10.1039/C5CE01792K","","","1.54178","CuKα","","0.1907","0.1669","","","0.5569","0.5766","","","","","","2.49","","","","has coordinates","171865","2020-10-21","18:00:00",""
"7223653","10.3128","0.0004","13.6528","0.0005","15.1819","0.0006","113.311","0.002","105.47","0.002","95.699","0.002","1840.6","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H92 O22 S6 -","- C72 H92 O22 S6 -","- C72 H92 O22 S6 -","1","0.5","","Pfeiffer, Constance R.; Feaster, Kyle A.; Dalgarno, Scott J.; Atwood, Jerry L.","Syntheses and characterization of aryl-substituted pyrogallol[4]arenes and resorcin[4]arenes","CrystEngComm","2016","18","2","222","","10.1039/C5CE01792K","","","0.71073","MoKα","","0.0731","0.0433","","","0.0907","0.1018","","","","","","1.019","","","","has coordinates","171865","2020-10-21","18:00:00",""
"7223654","13.9805","0.0014","16.3367","0.0016","24.278","0.002","77.851","0.001","73.707","0.001","73.719","0.001","5056.3","0.8","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C176 H272 O56 S24 -","- C176 H272 O56 S24 -","- C176 H272 O56 S24 -","1","0.5","","Pfeiffer, Constance R.; Feaster, Kyle A.; Dalgarno, Scott J.; Atwood, Jerry L.","Syntheses and characterization of aryl-substituted pyrogallol[4]arenes and resorcin[4]arenes","CrystEngComm","2016","18","2","222","","10.1039/C5CE01792K","","","0.71073","MoKα","","0.1706","0.0721","","","0.2033","0.2652","","","","","","1.074","","","","has coordinates,has disorder","171865","2020-10-21","18:00:00",""
"7223655","13.5643","0.001","14.1911","0.0011","15.9372","0.0012","110.429","0.004","109.634","0.004","92.886","0.005","2658.4","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C92 H144 O28 S12 -","- C92 H144 O28 S12 -","- C92 H144 O28 S12 -","1","0.5","","Pfeiffer, Constance R.; Feaster, Kyle A.; Dalgarno, Scott J.; Atwood, Jerry L.","Syntheses and characterization of aryl-substituted pyrogallol[4]arenes and resorcin[4]arenes","CrystEngComm","2016","18","2","222","","10.1039/C5CE01792K","","","0.71073","MoKα","","0.1214","0.0744","","","0.1725","0.1928","","","","","","1.02","","","","has coordinates,has disorder","171865","2020-10-21","18:00:00",""
"7223656","12.9732","0.0018","14.665","0.002","15.949","0.002","97.687","0.002","112.271","0.002","98.894","0.002","2712.1","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C95.8 H131.4 O26 S14 -","- C95.8 H131.4 O26 S14 -","- C95.8 H131.4 O26 S14 -","1","0.5","","Pfeiffer, Constance R.; Feaster, Kyle A.; Dalgarno, Scott J.; Atwood, Jerry L.","Syntheses and characterization of aryl-substituted pyrogallol[4]arenes and resorcin[4]arenes","CrystEngComm","2016","18","2","222","","10.1039/C5CE01792K","","","0.71073","MoKα","","0.1176","0.0996","","","0.2633","0.2742","","","","","","1.103","","","","has coordinates,has disorder","171865","2020-10-21","18:00:00",""
"7223657","12.3525","0.0006","13.8124","0.0008","15.0196","0.0008","112.326","0.002","112.595","0.002","93.556","0.002","2122.7","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C86 H99.8 O23 S7 -","- C86 H99.8 O23 S7 -","- C86 H99.8 O23 S7 -","1","0.5","","Pfeiffer, Constance R.; Feaster, Kyle A.; Dalgarno, Scott J.; Atwood, Jerry L.","Syntheses and characterization of aryl-substituted pyrogallol[4]arenes and resorcin[4]arenes","CrystEngComm","2016","18","2","222","","10.1039/C5CE01792K","","","0.71073","MoKα","","0.1651","0.135","","","0.4052","0.4342","","","","","","1.828","","","","has coordinates,has disorder","171865","2020-10-21","18:00:00",""
"7223658","10.6715","0.0003","16.8763","0.0005","24.6079","0.0007","97.9","0.001","102.264","0.001","99.408","0.001","4203.7","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C152 H216 O44 S20 -","- C152 H216 O44 S20 -","- C152 H216 O44 S20 -","1","0.5","","Pfeiffer, Constance R.; Feaster, Kyle A.; Dalgarno, Scott J.; Atwood, Jerry L.","Syntheses and characterization of aryl-substituted pyrogallol[4]arenes and resorcin[4]arenes","CrystEngComm","2016","18","2","222","","10.1039/C5CE01792K","","","1.54178","CuKα","","0.1385","0.1296","","","0.2455","0.2491","","","","","","1.086","","","","has coordinates,has disorder","171865","2020-10-21","18:00:00",""
"7223659","12.5293","0.0012","13.2447","0.0012","13.6375","0.0013","112.439","0.001","109.559","0.001","92.935","0.001","1929","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H96 O20 S8 -","- C72 H96 O20 S8 -","- C72 H96 O20 S8 -","1","0.5","","Pfeiffer, Constance R.; Feaster, Kyle A.; Dalgarno, Scott J.; Atwood, Jerry L.","Syntheses and characterization of aryl-substituted pyrogallol[4]arenes and resorcin[4]arenes","CrystEngComm","2016","18","2","222","","10.1039/C5CE01792K","","","0.71073","MoKα","","0.0605","0.0409","","","0.0954","0.1045","","","","","","1.032","","","","has coordinates,has disorder","171865","2020-10-21","18:00:00",""
"7223660","13.6701","0.0002","16.5031","0.0003","21.1363","0.0003","90","","99.896","0.001","90","","4697.38","0.13","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C80 H120 O24 S12 -","- C80 H120 O24 S12 -","- C160 H240 O48 S24 -","2","0.5","","Pfeiffer, Constance R.; Feaster, Kyle A.; Dalgarno, Scott J.; Atwood, Jerry L.","Syntheses and characterization of aryl-substituted pyrogallol[4]arenes and resorcin[4]arenes","CrystEngComm","2016","18","2","222","","10.1039/C5CE01792K","","","1.54178","CuKα","","0.1532","0.1465","","","0.4846","0.4988","","","","","","2.554","","","","has coordinates,has disorder","171865","2020-10-21","18:00:00",""
"7223661","13.887","0.002","15.638","0.002","23.205","0.003","99.446","0.002","101.639","0.002","114.753","0.002","4303.6","1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C156 H220 O42 S18 -","- C156 H220 O42 S18 -","- C156 H220 O42 S18 -","1","0.5","","Pfeiffer, Constance R.; Feaster, Kyle A.; Dalgarno, Scott J.; Atwood, Jerry L.","Syntheses and characterization of aryl-substituted pyrogallol[4]arenes and resorcin[4]arenes","CrystEngComm","2016","18","2","222","","10.1039/C5CE01792K","","","0.71073","MoKα","","0.1307","0.0655","","","0.1579","0.1962","","","","","","1.022","","","","has coordinates,has disorder","171865","2020-10-21","18:00:00",""
"7223662","12.108","0.0012","13.5922","0.0013","26.446","0.003","88.602","0.001","85.738","0.001","83.463","0.001","4311.5","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C80 H112 O20 S8 -","- C80 H112 O20 S8 -","- C160 H224 O40 S16 -","2","1","","Pfeiffer, Constance R.; Feaster, Kyle A.; Dalgarno, Scott J.; Atwood, Jerry L.","Syntheses and characterization of aryl-substituted pyrogallol[4]arenes and resorcin[4]arenes","CrystEngComm","2016","18","2","222","","10.1039/C5CE01792K","","","0.71073","MoKα","","0.0995","0.051","","","0.1027","0.1204","","","","","","1.021","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7223663","13.065","0.0003","14.1576","0.0003","15.2003","0.0003","72.404","0.001","76.963","0.001","75.955","0.001","2564.45","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C128 H108 N12 O8 -","- C128 H108 N12 O8 -","- C128 H108 N12 O8 -","1","0.5","","Pfeiffer, Constance R.; Feaster, Kyle A.; Dalgarno, Scott J.; Atwood, Jerry L.","Syntheses and characterization of aryl-substituted pyrogallol[4]arenes and resorcin[4]arenes","CrystEngComm","2016","18","2","222","","10.1039/C5CE01792K","","","1.54178","CuKα","","0.0618","0.0574","","","0.1696","0.1747","","","","","","1.054","","","","has coordinates,has disorder","171865","2020-10-21","18:00:00",""
"7223717","12.135","0.015","3.979","0.005","18.38","0.02","90","","91.4","0.03","90","","887.2","1.8","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Naphthalaldehydic acid cyclised isomer 15.","","- C12 H8 O3 -","- C12 H8 O3 -","- C48 H32 O12 -","4","1","","Saritemur, Gizem; Nomen Miralles, Laura; Husson, Deborah; Pitak, Mateusz B.; Coles, Simon J.; Wallis, John D.","Two modes of peri-interaction between an aldehyde group and a carboxylate anion in naphthalaldehydate salts","CrystEngComm","2016","18","6","948","","10.1039/C5CE02282G","","","0.71075","MoKα","","0.0597","0.0424","","","0.1017","0.1102","","","","","","0.97","","","","has coordinates","175958","2020-10-21","18:00:00",""
"7223718","14.953","0.002","5.0185","0.0006","12.3691","0.0019","90","","100.389","0.013","90","","913","0.2","151","2","151","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","lithium naphthalaldehydate Li.14","","- C12 H7 Li O3 -","- C12 H7 Li O3 -","- C48 H28 Li4 O12 -","4","1","","Saritemur, Gizem; Nomen Miralles, Laura; Husson, Deborah; Pitak, Mateusz B.; Coles, Simon J.; Wallis, John D.","Two modes of peri-interaction between an aldehyde group and a carboxylate anion in naphthalaldehydate salts","CrystEngComm","2016","18","6","948","","10.1039/C5CE02282G","","","0.71073","MoKα","","0.1705","0.1629","","","0.4689","0.4719","","","","","","1.193","","","","has coordinates","175958","2020-10-21","18:00:00",""
"7223719","7.3837","0.0004","30.138","0.002","4.8965","0.0003","90","","90","","90","","1089.62","0.11","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","naphthaldic acid potassium salt .1H2O K.14.H2O","","- C12 H9 K O4 -","- C12 H9 K O4 -","- C48 H36 K4 O16 -","4","1","","Saritemur, Gizem; Nomen Miralles, Laura; Husson, Deborah; Pitak, Mateusz B.; Coles, Simon J.; Wallis, John D.","Two modes of peri-interaction between an aldehyde group and a carboxylate anion in naphthalaldehydate salts","CrystEngComm","2016","18","6","948","","10.1039/C5CE02282G","","","0.71073","MoKα","","0.0858","0.0782","","","0.1806","0.1848","","","","","","1.122","","","","has coordinates","175958","2020-10-21","18:00:00",""
"7223720","7.852","0.006","29.89","0.02","4.998","0.003","90","","90","","90","","1173","1.4","100","2","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","naphthalaldehydic acid cesium salt. 1H2O Cs.14.H2O","","- C12 H9 Cs O4 -","- C12 H9 Cs O4 -","- C48 H36 Cs4 O16 -","4","1","","Saritemur, Gizem; Nomen Miralles, Laura; Husson, Deborah; Pitak, Mateusz B.; Coles, Simon J.; Wallis, John D.","Two modes of peri-interaction between an aldehyde group and a carboxylate anion in naphthalaldehydate salts","CrystEngComm","2016","18","6","948","","10.1039/C5CE02282G","","","0.71075","MoKα","","0.0586","0.0478","","","0.093","0.0994","","","","","","1.051","","","","has coordinates","175958","2020-10-21","18:00:00",""
"7223721","20.9749","0.0014","19.1882","0.0006","13.2738","0.0004","90","","90","","90","","5342.3","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N,N',N''-triphenylguanidinium naphthalaldehydate,(PhNH)3C.15","","- C31 H25 N3 O3 -","- C31 H25 N3 O3 -","- C248 H200 N24 O24 -","8","1","","Saritemur, Gizem; Nomen Miralles, Laura; Husson, Deborah; Pitak, Mateusz B.; Coles, Simon J.; Wallis, John D.","Two modes of peri-interaction between an aldehyde group and a carboxylate anion in naphthalaldehydate salts","CrystEngComm","2016","18","6","948","","10.1039/C5CE02282G","","","0.71075","MoKα","","0.0518","0.0394","","","0.094","0.1004","","","","","","1.04","","","","has coordinates,has disorder","175958","2020-10-21","18:00:00",""
"7223722","9.0149","0.0005","9.7808","0.0005","18.7439","0.0011","90","","102.981","0.005","90","","1610.47","0.16","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N,N,N',N'-tetramethylguanidinium naphthalaldehydate,(Me2N)2CNH2.15","","- C17 H21 N3 O3 -","- C17 H21 N3 O3 -","- C68 H84 N12 O12 -","4","1","","Saritemur, Gizem; Nomen Miralles, Laura; Husson, Deborah; Pitak, Mateusz B.; Coles, Simon J.; Wallis, John D.","Two modes of peri-interaction between an aldehyde group and a carboxylate anion in naphthalaldehydate salts","CrystEngComm","2016","18","6","948","","10.1039/C5CE02282G","","x-ray","0.71073","MoKα","","0.0691","0.0527","","","0.1008","0.1069","","","","","","1.154","","","","has coordinates","175958","2020-10-21","18:00:00",""
"7223723","15.3271","0.0004","8.3575","0.0003","20.696","0.0006","90","","105.966","0.003","90","","2548.81","0.14","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-dimethylaminopyridium naphthalaldehydate.naphthalaldehydic acidDMAP.14.15","","- C31 H26 N2 O6 -","- C31 H26 N2 O6 -","- C124 H104 N8 O24 -","4","1","","Saritemur, Gizem; Nomen Miralles, Laura; Husson, Deborah; Pitak, Mateusz B.; Coles, Simon J.; Wallis, John D.","Two modes of peri-interaction between an aldehyde group and a carboxylate anion in naphthalaldehydate salts","CrystEngComm","2016","18","6","948","","10.1039/C5CE02282G","","x-ray","0.71073","MoKα","","0.0806","0.0626","","","0.1327","0.1414","","","","","","1.098","","","","has coordinates","175958","2020-10-21","18:00:00",""
"7223724","8.6","0.0004","8.6685","0.0004","9.647","0.0006","101.959","0.007","106.112","0.008","105.087","0.007","636.12","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","3-(4-Morpholinyl)-1H,3H-naphtho[1,8-cd]pyran-1-one, A","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C32 H30 N2 O6 -","2","1","","Saritemur, Gizem; Nomen Miralles, Laura; Husson, Deborah; Pitak, Mateusz B.; Coles, Simon J.; Wallis, John D.","Two modes of peri-interaction between an aldehyde group and a carboxylate anion in naphthalaldehydate salts","CrystEngComm","2016","18","6","948","","10.1039/C5CE02282G","","","0.71075","MoKα","","0.0403","0.0363","","","0.102","0.1047","","","","","","1.073","","","","has coordinates","175958","2020-10-21","18:00:00",""
"7223725","34.2012","0.0019","10.3247","0.0006","12.1234","0.0006","90","","90","","90","","4281","0.4","150","2","150","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C8 H14 Cl N5 -","- C8 H14 Cl N5 -","- C128 H224 Cl16 N80 -","16","1","","Le, Thanh; Bhadbhade, Mohan; Gao, Jiabin; Hook, James M.; Marjo, Christopher E.","Persistence of a self-complementary N‒H⋯N tape motif in chloro-s-triazine crystals: crystal structures of simazine and atrazine herbicides and their polymorphic and inclusion behaviour","CrystEngComm","2016","18","6","962","","10.1039/C5CE02206A","","","0.71073","MoKα","","0.0506","0.0442","","","0.1126","0.1182","","","","","","1.043","","","","has coordinates","175961","2020-10-21","18:00:00",""
"7223726","4.439","0.0009","11.98","0.002","17.852","0.004","90","","94.04","0.03","90","","947","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H12 Cl N5 -","- C7 H12 Cl N5 -","- C28 H48 Cl4 N20 -","4","1","","Le, Thanh; Bhadbhade, Mohan; Gao, Jiabin; Hook, James M.; Marjo, Christopher E.","Persistence of a self-complementary N‒H⋯N tape motif in chloro-s-triazine crystals: crystal structures of simazine and atrazine herbicides and their polymorphic and inclusion behaviour","CrystEngComm","2016","18","6","962","","10.1039/C5CE02206A","","","0.71073","Synchrotron","","0.0455","0.0437","","","0.128","0.1304","","","","","","1.06","","","","has coordinates","175961","2020-10-21","18:00:00",""
"7223727","19.847","0.004","9.616","0.0019","23.793","0.005","90","","90","","90","","4540.9","1.6","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H28 Cl2 N10 -","- C16 H28 Cl2 N10 -","- C128 H224 Cl16 N80 -","8","1","","Le, Thanh; Bhadbhade, Mohan; Gao, Jiabin; Hook, James M.; Marjo, Christopher E.","Persistence of a self-complementary N‒H⋯N tape motif in chloro-s-triazine crystals: crystal structures of simazine and atrazine herbicides and their polymorphic and inclusion behaviour","CrystEngComm","2016","18","6","962","","10.1039/C5CE02206A","","","0.71073","MoKα","","0.152","0.1101","","","0.2366","0.2566","","","","","","1.141","","","","has coordinates,has disorder","175961","2020-10-21","18:00:00",""
"7223728","11.908","0.003","19.374","0.007","15.441","0.005","90","","105.86","0.02","90","","3426.7","1.9","150","2","150.6","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H32 Cl10 N10 -","- C20 H32 Cl10 N10 -","- C80 H128 Cl40 N40 -","4","1","","Le, Thanh; Bhadbhade, Mohan; Gao, Jiabin; Hook, James M.; Marjo, Christopher E.","Persistence of a self-complementary N‒H⋯N tape motif in chloro-s-triazine crystals: crystal structures of simazine and atrazine herbicides and their polymorphic and inclusion behaviour","CrystEngComm","2016","18","6","962","","10.1039/C5CE02206A","","","0.71073","MoKα","","0.2937","0.1058","","","0.2634","0.3773","","","","","","0.981","","","","has coordinates,has disorder","175961","2020-10-21","18:00:00",""
"7223729","14.8405","0.0006","10.2671","0.0004","20.6587","0.0009","90","","110.219","0.001","90","","2953.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1:1 cocrystal of Aripiprazole Phloroglucinol Hydrate","","- C29 H33 Cl2 N3 O6 -","- C29 H33 Cl2 N3 O6 -","- C116 H132 Cl8 N12 O24 -","4","1","","Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan","Correlating the melting point alteration with the supramolecular structure in aripiprazole drug cocrystals","CrystEngComm","2016","18","6","1024","","10.1039/C5CE02400E","","","0.71073","MoKα","","0.0824","0.073","","","0.2054","0.2151","","","","","","1.08","","","","has coordinates,has disorder","175959","2020-10-21","18:00:00",""
"7223730","14.7282","0.0012","9.882","0.0008","20.8815","0.0014","90","","111.174","0.005","90","","2834","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1:1 cocrystal of Aripiprazole Resorcinol","","- C29 H33 Cl2 N3 O4 -","- C29 H33 Cl2 N3 O4 -","- C116 H132 Cl8 N12 O16 -","4","1","","Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan","Correlating the melting point alteration with the supramolecular structure in aripiprazole drug cocrystals","CrystEngComm","2016","18","6","1024","","10.1039/C5CE02400E","","","0.71073","MoKα","","0.0421","0.0363","","","0.1021","0.1075","","","","","","1.026","","","","has coordinates","175959","2020-10-21","18:00:00",""
"7223731","14.7513","0.0016","9.9206","0.0011","20.9131","0.0017","90","","111.104","0.006","90","","2855.2","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1:1 cocrystal of Aripiprazole Catechol Hydrate","","- C29 H33 Cl2 N3 O4.29 -","- C29 H33 Cl2 N3 O4.293 -","- C116 H132 Cl8 N12 O17.172 -","4","1","","Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan","Correlating the melting point alteration with the supramolecular structure in aripiprazole drug cocrystals","CrystEngComm","2016","18","6","1024","","10.1039/C5CE02400E","","","0.71073","MoKα","","0.0781","0.0648","","","0.156","0.1647","","","","","","1.124","","","","has coordinates,has disorder","175959","2020-10-21","18:00:00",""
"7223732","6.9061","0.0008","9.4544","0.0011","22.484","0.003","96.056","0.002","95.355","0.002","100.696","0.002","1424.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1:1 cocrystal of Aripiprazole and Hydroquinone","","- C29 H33 Cl2 N3 O4 -","- C29 H33 Cl2 N3 O4 -","- C58 H66 Cl4 N6 O8 -","2","1","","Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan","Correlating the melting point alteration with the supramolecular structure in aripiprazole drug cocrystals","CrystEngComm","2016","18","6","1024","","10.1039/C5CE02400E","","","0.71073","MoKα","","0.0827","0.0493","","","0.1177","0.1348","","","","","","1.016","","","","has coordinates","175959","2020-10-21","18:00:00",""
"7223733","14.7016","0.0011","9.9378","0.0007","20.9827","0.0012","90","","111.121","0.004","90","","2859.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1:1 cocrystal of Aripiprazole Pyrograllol Hydrate","","- C29 H33 Cl2 N3 O5.26 -","- C29 H33 Cl2 N3 O5.256 -","- C116 H132 Cl8 N12 O21.024 -","4","1","","Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan","Correlating the melting point alteration with the supramolecular structure in aripiprazole drug cocrystals","CrystEngComm","2016","18","6","1024","","10.1039/C5CE02400E","","","0.71073","MoKα","","0.0375","0.0335","","","0.0935","0.0977","","","","","","1.03","","","","has coordinates","175959","2020-10-21","18:00:00",""
"7223734","7.697","0.0003","15.919","0.0005","16.027","0.0007","104.891","0.001","101.344","0.002","99.19","0.004","1814.35","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","1","","","- C26 H20 Cl8 Hg4 N6 -","- C26 H20 Cl8 Hg4 N6 -","- C52 H40 Cl16 Hg8 N12 -","2","1","","Mahmoudi, Ghodrat; Castiñeiras, Alfonso; Garczarek, Piotr; Bauzá, Antonio; Rheingold, Arnold L.; Kinzhybalo, Vasyl; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis of thiosemicarbazone complexes of Mn+ions (n = 2, 3; M = Ni, Cd, Mn, Co and Cu)","CrystEngComm","2016","18","6","1009","","10.1039/C5CE02371H","","","0.71073","MoKα","","0.1363","0.0787","","","0.1929","0.2325","","","","","","0.964","","","","has coordinates","175960","2020-10-21","18:00:00",""
"7223735","8.7552","0.0008","14.1329","0.0014","23.646","0.002","90","","96.847","0.005","90","","2905","0.5","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Br4 Hg2 N6 -","- C26 H20 Br4 Hg2 N6 -","- C104 H80 Br16 Hg8 N24 -","4","1","","Mahmoudi, Ghodrat; Castiñeiras, Alfonso; Garczarek, Piotr; Bauzá, Antonio; Rheingold, Arnold L.; Kinzhybalo, Vasyl; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis of thiosemicarbazone complexes of Mn+ions (n = 2, 3; M = Ni, Cd, Mn, Co and Cu)","CrystEngComm","2016","18","6","1009","","10.1039/C5CE02371H","","x-ray","0.7107","MoKα","","0.0652","0.0395","","","0.0776","0.0859","","","","","","1.03","","","","has coordinates","175960","2020-10-21","18:00:00",""
"7223736","9.3733","0.0007","35.998","0.002","9.8847","0.0006","90","","104.978","0.007","90","","3222","0.4","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H25 Br2 Hg N5 O -","- C34 H25 Br2 Hg N5 O -","- C136 H100 Br8 Hg4 N20 O4 -","4","1","","Mahmoudi, Ghodrat; Castiñeiras, Alfonso; Garczarek, Piotr; Bauzá, Antonio; Rheingold, Arnold L.; Kinzhybalo, Vasyl; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis of thiosemicarbazone complexes of Mn+ions (n = 2, 3; M = Ni, Cd, Mn, Co and Cu)","CrystEngComm","2016","18","6","1009","","10.1039/C5CE02371H","","","0.71073","MoKα","","0.1233","0.0323","","","0.0402","0.0456","","","","","","0.681","","","","has coordinates","175960","2020-10-21","18:00:00",""
"7223737","9.7571","0.0006","11.5338","0.0008","14.2949","0.0012","68.98","0.004","83.774","0.004","68.968","0.003","1401.23","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 Hg I2 N6 -","- C26 H20 Hg I2 N6 -","- C52 H40 Hg2 I4 N12 -","2","1","","Mahmoudi, Ghodrat; Castiñeiras, Alfonso; Garczarek, Piotr; Bauzá, Antonio; Rheingold, Arnold L.; Kinzhybalo, Vasyl; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis of thiosemicarbazone complexes of Mn+ions (n = 2, 3; M = Ni, Cd, Mn, Co and Cu)","CrystEngComm","2016","18","6","1009","","10.1039/C5CE02371H","","","1.54178","CuKα","","0.1169","0.0922","","","0.2389","0.2643","","","","","","1.032","","","","has coordinates","175960","2020-10-21","18:00:00",""
"7223738","8.764","0.0004","11.8787","0.0004","15.0315","0.0006","73.615","0.003","88.714","0.005","88.11","0.006","1500.34","0.11","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H28 Cl2 Hg N6 O -","- C29 H28 Cl2 Hg N6 O -","- C58 H56 Cl4 Hg2 N12 O2 -","2","1","","Mahmoudi, Ghodrat; Castiñeiras, Alfonso; Garczarek, Piotr; Bauzá, Antonio; Rheingold, Arnold L.; Kinzhybalo, Vasyl; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis of thiosemicarbazone complexes of Mn+ions (n = 2, 3; M = Ni, Cd, Mn, Co and Cu)","CrystEngComm","2016","18","6","1009","","10.1039/C5CE02371H","","","0.71073","MoKα","","0.0658","0.0558","","","0.1349","0.1369","","","","","","1.025","","","","has coordinates","175960","2020-10-21","18:00:00",""
"7223739","9.536","0.0004","10.9904","0.0004","15.8293","0.0006","86.58","0.004","73.062","0.003","78.506","0.006","1555.19","0.11","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H48 Br8 Hg4 N12 -","- C56 H48 Br8 Hg4 N12 -","- C56 H48 Br8 Hg4 N12 -","1","0.5","","Mahmoudi, Ghodrat; Castiñeiras, Alfonso; Garczarek, Piotr; Bauzá, Antonio; Rheingold, Arnold L.; Kinzhybalo, Vasyl; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis of thiosemicarbazone complexes of Mn+ions (n = 2, 3; M = Ni, Cd, Mn, Co and Cu)","CrystEngComm","2016","18","6","1009","","10.1039/C5CE02371H","","","0.71073","MoKα","","0.0475","0.0357","","","0.0965","0.0983","","","","","","1.057","","","","has coordinates","175960","2020-10-21","18:00:00",""
"7223740","10.3079","0.0004","18.8288","0.0007","11.5821","0.0005","90","","105.811","0.002","90","","2162.87","0.15","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 N6 -","- C26 H20 N6 -","- C104 H80 N24 -","4","1","","Mahmoudi, Ghodrat; Castiñeiras, Alfonso; Garczarek, Piotr; Bauzá, Antonio; Rheingold, Arnold L.; Kinzhybalo, Vasyl; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis of thiosemicarbazone complexes of Mn+ions (n = 2, 3; M = Ni, Cd, Mn, Co and Cu)","CrystEngComm","2016","18","6","1009","","10.1039/C5CE02371H","","","0.71073","MoKα","","0.0902","0.0447","","","0.0972","0.1168","","","","","","1.01","","","","has coordinates","175960","2020-10-21","18:00:00",""
"7223741","9.6825","0.0015","11.376","0.002","12.377","0.002","74.062","0.003","76.504","0.003","66.011","0.003","1186.1","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H24 N6 -","- C28 H24 N6 -","- C56 H48 N12 -","2","1","","Mahmoudi, Ghodrat; Castiñeiras, Alfonso; Garczarek, Piotr; Bauzá, Antonio; Rheingold, Arnold L.; Kinzhybalo, Vasyl; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis of thiosemicarbazone complexes of Mn+ions (n = 2, 3; M = Ni, Cd, Mn, Co and Cu)","CrystEngComm","2016","18","6","1009","","10.1039/C5CE02371H","","","0.71075","MoKα","","0.0505","0.0387","","","0.0835","0.0863","","","","","","1.033","","","","has coordinates","175960","2020-10-21","18:00:00",""
"7223750","28.281","0.004","20.849","0.003","30.699","0.004","90","","90.994","0.009","90","","18098","4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","CalciumMOF","","","- C72.5 H54.5 Ca3.5 N2.5 O23 -","- C72.5 H54.5 Ca3.5 N2.5 O23 -","- C580 H436 Ca28 N20 O184 -","8","1","","Asha, K. S.; Makkitaya, Madhuri; Sirohi, Anshu; Yadav, Lalit; Sheet, Goutam; Mandal, Sukhendu","A series of s-block (Ca, Sr and Ba) metal‒organic frameworks: synthesis and structure‒property correlation","CrystEngComm","2016","18","6","1046","","10.1039/C5CE01995H","","","0.71073","MoKα","","0.2647","0.125","","","0.2347","0.2952","","","","","","0.943","","","","has coordinates","175955","2020-10-21","18:00:00",""
"7223751","18.2197","0.0011","31.5978","0.0017","29.862","0.002","90","","101.311","0.003","90","","16857.7","1.8","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","strontiumMOF","","","- C56 H43 N O14.5 Sr2.5 -","- C56 H43 N O14.5 Sr2.5 -","- C448 H344 N8 O116 Sr20 -","8","1","","Asha, K. S.; Makkitaya, Madhuri; Sirohi, Anshu; Yadav, Lalit; Sheet, Goutam; Mandal, Sukhendu","A series of s-block (Ca, Sr and Ba) metal‒organic frameworks: synthesis and structure‒property correlation","CrystEngComm","2016","18","6","1046","","10.1039/C5CE01995H","","","0.71073","MoKα","","0.1587","0.0809","","","0.186","0.2169","","","","","","1.008","","","","has coordinates","175955","2020-10-21","18:00:00",""
"7223752","7.2993","0.0002","19.3615","0.0006","26.0984","0.0009","90","","90","","90","","3688.4","0.2","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","BariumMOF","","","- C29 H17 Ba N O7 -","- C29 H17 Ba N O7 -","- C116 H68 Ba4 N4 O28 -","4","1","","Asha, K. S.; Makkitaya, Madhuri; Sirohi, Anshu; Yadav, Lalit; Sheet, Goutam; Mandal, Sukhendu","A series of s-block (Ca, Sr and Ba) metal‒organic frameworks: synthesis and structure‒property correlation","CrystEngComm","2016","18","6","1046","","10.1039/C5CE01995H","","","0.71073","MoKα","","0.0557","0.0451","","","0.1318","0.1456","","","","","","1.255","","","","has coordinates","175955","2020-10-21","18:00:00",""
"7223753","18.9997","0.0007","9.4546","0.0003","7.4275","0.0003","90","","95.743","0.004","90","","1327.54","0.08","120","0.1","120.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Li2 anthraquinone-dicarboxylate","","- C16 H8 Li2 O7 -","- C16 H8 Li2 O7 -","- C64 H32 Li8 O28 -","4","1","","Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K.","Coordination environments and π-conjugation in dense lithium coordination polymers","CrystEngComm","2016","18","3","398","","10.1039/C5CE01658D","","","0.7107","MoKα","","0.0621","0.0441","","","0.1075","0.1193","","","","","","1.038","","","","has coordinates","173634","2020-10-21","18:00:00",""
"7223754","19.0868","0.0008","9.4849","0.0004","7.4588","0.0003","90","","94.757","0.004","90","","1345.66","0.1","302.3","0.6","302.3","0.6","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Lithium anthraquinone dicarboxylate","","- C16 H8 Li2 O7 -","- C16 H8 Li2 O7 -","- C64 H32 Li8 O28 -","4","1","","Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K.","Coordination environments and π-conjugation in dense lithium coordination polymers","CrystEngComm","2016","18","3","398","","10.1039/C5CE01658D","","","1.54184","CuKα","","0.0375","0.034","","","0.0939","0.0974","","","","","","1.04","","","","has coordinates","173634","2020-10-21","18:00:00",""
"7223755","8.0799","0.0002","10.6463","0.0002","14.6639","0.0003","90","","102.507","0.002","90","","1231.47","0.05","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Lithium anthraquinonedicarboxylate","","- C16 H7 Li O6 -","- C16 H7 Li O6 -","- C64 H28 Li4 O24 -","4","1","","Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K.","Coordination environments and π-conjugation in dense lithium coordination polymers","CrystEngComm","2016","18","3","398","","10.1039/C5CE01658D","","","1.5418","CuKα","","0.035","0.0327","","","0.0912","0.0938","","","","","","1.093","","","","has coordinates","173634","2020-10-21","18:00:00",""
"7223756","8.1681","0.0004","10.6558","0.0005","14.7002","0.0007","90","","101.68","0.005","90","","1252.98","0.11","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H7 Li O6 -","- C16 H7 Li O6 -","- C64 H28 Li4 O24 -","4","1","","Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K.","Coordination environments and π-conjugation in dense lithium coordination polymers","CrystEngComm","2016","18","3","398","","10.1039/C5CE01658D","","","1.5418","CuKα","","0.0403","0.0349","","","0.0938","0.0993","","","","","","1.036","","","","has coordinates","173634","2020-10-21","18:00:00",""
"7223757","8.0703","0.0003","5.1497","0.0002","14.7759","0.0005","90","","95.073","0.003","90","","611.68","0.04","121","2","121","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dilithium 1,5-dihydroxyanthraquinone","","- C14 H10 Li2 O6 -","- C14 H10 Li2 O6 -","- C28 H20 Li4 O12 -","2","0.5","","Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K.","Coordination environments and π-conjugation in dense lithium coordination polymers","CrystEngComm","2016","18","3","398","","10.1039/C5CE01658D","","","1.54184","CuKα","","0.0305","0.0294","","","0.0804","0.0812","","","","","","1.04","","","","has coordinates","173634","2020-10-21","18:00:00",""
"7223758","8.0719","0.0003","5.1821","0.0002","14.8188","0.0005","90","","94.926","0.003","90","","617.57","0.04","302","","302","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,5-Dihydroxyanthraquinone dilithium hydrate","","- C7 H5 Li O3 -","- C7 H5 Li O3 -","- C28 H20 Li4 O12 -","4","1","","Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K.","Coordination environments and π-conjugation in dense lithium coordination polymers","CrystEngComm","2016","18","3","398","","10.1039/C5CE01658D","","","1.54184","CuKα","","0.0368","0.034","","","0.0992","0.1017","","","","","","1.097","","","","has coordinates","173634","2020-10-21","18:00:00",""
"7223759","7.1641","0.0003","16.1044","0.0009","10.7351","0.0007","90","","90","","90","","1238.55","0.12","121.7","0.9","121.7","0.9","","","","","","","","4","P n m a","-P 2ac 2n","62","","Dilithium quinizarin","","- C14 H10 Li2 O6 -","- C14 H10 Li2 O6 -","- C56 H40 Li8 O24 -","4","0.5","","Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K.","Coordination environments and π-conjugation in dense lithium coordination polymers","CrystEngComm","2016","18","3","398","","10.1039/C5CE01658D","","","1.54184","CuKα","","0.0573","0.0551","","","0.1359","0.1375","","","","","","1.0348","","","","has coordinates","173634","2020-10-21","18:00:00",""
"7223760","7.1681","0.0003","16.0902","0.0006","10.7456","0.0006","90","","90","","90","","1239.36","0.1","298","","298","","","","","","","","","4","P n m a","-P 2ac 2n","62","","1,4-dihydroxyanthraquinone dilithium hydrate","","- C7 H5 Li O3 -","- C7 H5 Li O3 -","- C56 H40 Li8 O24 -","8","1","","Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K.","Coordination environments and π-conjugation in dense lithium coordination polymers","CrystEngComm","2016","18","3","398","","10.1039/C5CE01658D","","","1.54184","CuKα","","0.054","0.0528","","","0.1298","0.1305","","","","","","1.0463","","","","has coordinates","173634","2020-10-21","18:00:00",""
"7223761","3.8011","0.0002","15.9753","0.0011","18.0272","0.0009","90","","90","","90","","1094.68","0.11","120","0.1","120","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,4-dihydroxyanthraquinone lithium hydrate","","- C14 H9 Li O5 -","- C14 H9 Li O5 -","- C56 H36 Li4 O20 -","4","1","","Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K.","Coordination environments and π-conjugation in dense lithium coordination polymers","CrystEngComm","2016","18","3","398","","10.1039/C5CE01658D","","","1.54184","CuKα","","0.0638","0.0572","","","0.1404","0.1488","","","","","","1.049","","","","has coordinates","173634","2020-10-21","18:00:00",""
"7223762","3.6746","0.0002","16.1112","0.0011","18.1111","0.0014","90","","90","","90","","1072.22","0.13","293.15","","293.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,4-dihydroxyanthraquinone lithium hydrate","","- C14 H7.5 Li O4.25 -","- C14 H7.4 Li O4.2 -","- C56 H29.6 Li4 O16.8 -","4","1","","Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K.","Coordination environments and π-conjugation in dense lithium coordination polymers","CrystEngComm","2016","18","3","398","","10.1039/C5CE01658D","","","0.71075","MoKα","","0.1969","0.0829","","","0.1803","0.2168","","","","","","1.065","","","","has coordinates","173634","2020-10-21","18:00:00",""
"7223763","4.8535","0.0003","13.0952","0.001","18.9644","0.0012","90","","90","","90","","1205.33","0.14","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Lithium 1-hydroxy-4-nitroanthraquinone","","- C14 H8 Li N O6 -","- C14 H8 Li N O6 -","- C56 H32 Li4 N4 O24 -","4","1","","Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K.","Coordination environments and π-conjugation in dense lithium coordination polymers","CrystEngComm","2016","18","3","398","","10.1039/C5CE01658D","","","1.54184","CuKα","","0.0514","0.0466","","","0.124","0.1285","","","","","","1.0713","","","","has coordinates","278046","2022-09-21","15:45:42",""
"7223764","4.8953","0.0004","13.2668","0.001","19.1081","0.0014","90","","90","","90","","1240.97","0.17","293.15","","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Lithium 1-Hydroxy-4-nitroanthraquinone","","- C14 H8 Li N O6 -","- C14 H8 Li N O6 -","- C56 H32 Li4 N4 O24 -","4","1","","Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K.","Coordination environments and π-conjugation in dense lithium coordination polymers","CrystEngComm","2016","18","3","398","","10.1039/C5CE01658D","","","0.71075","MoKα","","0.1606","0.07","","","0.1328","0.1745","","","","","","1.0796","","","","has coordinates","278046","2022-09-21","15:45:42",""
"7223765","5.0112","0.0002","7.5031","0.0004","21.0358","0.0008","97.619","0.004","91.892","0.004","108.338","0.005","741.79","0.06","121","3","121","3","","","","","","","","4","P -1","-P 1","2","","1,5-dihydroxyanthraquinone lithium salt","","- C14 H16 Li2 O9 -","- C14 H16 Li2 O9 -","- C28 H32 Li4 O18 -","2","1","","Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K.","Coordination environments and π-conjugation in dense lithium coordination polymers","CrystEngComm","2016","18","3","398","","10.1039/C5CE01658D","","","1.54184","CuKα","","0.0406","0.0358","","","0.0964","0.1022","","","","","","1.082","","","","has coordinates","173634","2020-10-21","18:00:00",""
"7223766","7.3423","0.0002","10.0879","0.0002","14.4961","0.0003","90","","89.137","0.002","90","","1073.58","0.04","120","","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Hyrdoxy-4-nitiroanthraquinone","","- C14 H7 N O5 -","- C14 H7 N O5 -","- C56 H28 N4 O20 -","4","1","","Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K.","Coordination environments and π-conjugation in dense lithium coordination polymers","CrystEngComm","2016","18","3","398","","10.1039/C5CE01658D","","","1.54184","CuKα","","0.0478","0.0448","","","0.1334","0.1398","","","","","","1.082","","","","has coordinates","173634","2020-10-21","18:00:00",""
"7223767","7.4696","0.0003","10.1464","0.0004","14.5732","0.0006","90","","90.118","0.004","90","","1104.49","0.08","300","","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Hydroxy-4-Nitroanthraquinone","","- C14 H7 N O5 -","- C14 H7 N O5 -","- C56 H28 N4 O20 -","4","1","","Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K.","Coordination environments and π-conjugation in dense lithium coordination polymers","CrystEngComm","2016","18","3","398","","10.1039/C5CE01658D","","","1.54184","CuKα","","0.0997","0.0641","","","0.1919","0.2836","","","","","","1.1051","","","","has coordinates","206162","2020-10-21","18:00:00",""
"7223768","12.0297","0.0005","12.0413","0.0006","13.5174","0.0005","90","","100.597","0.004","90","","1924.64","0.15","121","1","121","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Lithium formate anhydrous","","- C H Li O2 -","- C H Li O2 -","- C32 H32 Li32 O64 -","32","4","","Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K.","Coordination environments and π-conjugation in dense lithium coordination polymers","CrystEngComm","2016","18","3","398","","10.1039/C5CE01658D","","","0.71073","MoKα","","0.0438","0.0373","","","0.1027","0.1088","","","","","","1.033","","","","has coordinates","194155","2020-10-21","18:00:00",""
"7223769","12.0519","0.0003","12.0497","0.0003","13.5108","0.0003","90","","101.003","0.003","90","","1925.99","0.08","300","0.14","300","0.14","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Lithium formate anhydrous","","- C H Li O2 -","- C H Li O2 -","- C32 H32 Li32 O64 -","32","4","","Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K.","Coordination environments and π-conjugation in dense lithium coordination polymers","CrystEngComm","2016","18","3","398","","10.1039/C5CE01658D","","","0.71073","MoKα","","0.0383","0.0293","","","0.0789","0.0843","","","","","","1.039","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7223772","11.243","0.002","18.664","0.004","21.085","0.004","90","","97.99","0.03","90","","4381.5","1.5","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H56 Ag5 N15 -","- C36 H56 Ag5 N15 -","- C144 H224 Ag20 N60 -","4","1","","Yang, Xiao; Wang, Yu; Zhou, Hao-Long; Liu, Yi-Jiang; He, Chun-Ting; Lin, Rui-Biao; Zhang, Jie-Peng","Guest-containing supramolecular isomers of silver(i) 3,5-dialkyl-1,2,4-triazolates: syntheses, structures, and structural transformation behaviours","CrystEngComm","2015","17","46","8843","","10.1039/C5CE00004A","","","0.71073","MoKα","","0.0287","0.0259","","","0.0619","0.0635","","","","","","1.008","","","","has coordinates","173652","2020-10-21","18:00:00",""
"7223773","11.365","0.005","9.329","0.004","20.985","0.01","90","","97.4147","0.0015","90","","2206.3","1.7","153","2","153","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C36 H56 Ag5 N15 -","- C36 H56 Ag5 N15 -","- C72 H112 Ag10 N30 -","2","0.5","","Yang, Xiao; Wang, Yu; Zhou, Hao-Long; Liu, Yi-Jiang; He, Chun-Ting; Lin, Rui-Biao; Zhang, Jie-Peng","Guest-containing supramolecular isomers of silver(i) 3,5-dialkyl-1,2,4-triazolates: syntheses, structures, and structural transformation behaviours","CrystEngComm","2015","17","46","8843","","10.1039/C5CE00004A","","","0.71073","MoKα","","0.0392","0.0352","","","0.087","0.0905","","","","","","1.079","","","","has coordinates,has disorder","173652","2020-10-21","18:00:00",""
"7223774","9.8861","0.0011","14.398","0.0015","15.8646","0.0017","91.955","0.001","73.911","0.001","74.304","0.001","2074.2","0.4","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H59 Ag4 N12 O0 -","- C35 H59 Ag4 N12 -","- C70 H118 Ag8 N24 -","2","1","","Yang, Xiao; Wang, Yu; Zhou, Hao-Long; Liu, Yi-Jiang; He, Chun-Ting; Lin, Rui-Biao; Zhang, Jie-Peng","Guest-containing supramolecular isomers of silver(i) 3,5-dialkyl-1,2,4-triazolates: syntheses, structures, and structural transformation behaviours","CrystEngComm","2015","17","46","8843","","10.1039/C5CE00004A","","","0.71073","MoKα","","0.0317","0.0269","","","0.0629","0.0664","","","","","","1.028","","","","has coordinates,has disorder","173652","2020-10-21","18:00:00",""
"7223775","10.37","0.0004","14.3641","0.0005","15.3164","0.0006","89.577","0.001","74.198","0.001","69.63","0.001","2048.28","0.13","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H56 Ag4 N12 O0 -","- C32 H56 Ag4 N12 -","- C64 H112 Ag8 N24 -","2","1","","Yang, Xiao; Wang, Yu; Zhou, Hao-Long; Liu, Yi-Jiang; He, Chun-Ting; Lin, Rui-Biao; Zhang, Jie-Peng","Guest-containing supramolecular isomers of silver(i) 3,5-dialkyl-1,2,4-triazolates: syntheses, structures, and structural transformation behaviours","CrystEngComm","2015","17","46","8843","","10.1039/C5CE00004A","","","0.71073","MoKα","","0.037","0.0309","","","0.0747","0.0839","","","","","","1.009","","","","has coordinates","173652","2020-10-21","18:00:00",""
"7223776","25.5782","0.0015","25.6108","0.0015","11.5927","0.0007","90","0.001","90","0.001","90","0.001","7594.1","0.8","113","2","113","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C56 H99 Ag7 N21 O0.5 -","- C56 H98 Ag7 N21 O0.5 -","- C224 H392 Ag28 N84 O2 -","4","1","","Yang, Xiao; Wang, Yu; Zhou, Hao-Long; Liu, Yi-Jiang; He, Chun-Ting; Lin, Rui-Biao; Zhang, Jie-Peng","Guest-containing supramolecular isomers of silver(i) 3,5-dialkyl-1,2,4-triazolates: syntheses, structures, and structural transformation behaviours","CrystEngComm","2015","17","46","8843","","10.1039/C5CE00004A","","","0.71073","MoKα","","0.0408","0.0394","","","0.0988","0.101","","","","","","1.083","","","","has coordinates,has disorder","173652","2020-10-21","18:00:00",""
"7223777","16.332","0.002","16.332","","16.332","","90","","90","","90","","4356.3","0.5","113","2","113","2","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C14 H20 Ag N3 O0 -","- C14 H20 Ag N3 -","- C168 H240 Ag12 N36 -","12","0.25","","Yang, Xiao; Wang, Yu; Zhou, Hao-Long; Liu, Yi-Jiang; He, Chun-Ting; Lin, Rui-Biao; Zhang, Jie-Peng","Guest-containing supramolecular isomers of silver(i) 3,5-dialkyl-1,2,4-triazolates: syntheses, structures, and structural transformation behaviours","CrystEngComm","2015","17","46","8843","","10.1039/C5CE00004A","","","0.71073","MoKα","","0.0521","0.0391","","","0.1002","0.1195","","","","","","1.095","","","","has coordinates","173652","2020-10-21","18:00:00",""
"7223778","21.8059","0.0006","20.5551","0.0005","22.2812","0.0005","90","","115.892","0.001","90","","8984.4","0.4","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C71 H122 Ag8 N24 O -","- C71 H122 Ag8 N24 O -","- C284 H488 Ag32 N96 O4 -","4","1","","Yang, Xiao; Wang, Yu; Zhou, Hao-Long; Liu, Yi-Jiang; He, Chun-Ting; Lin, Rui-Biao; Zhang, Jie-Peng","Guest-containing supramolecular isomers of silver(i) 3,5-dialkyl-1,2,4-triazolates: syntheses, structures, and structural transformation behaviours","CrystEngComm","2015","17","46","8843","","10.1039/C5CE00004A","","","0.71073","MoKα","","0.1281","0.0648","","","0.1768","0.2426","","","","","","1.073","","","","has coordinates,has disorder","173652","2020-10-21","18:00:00",""
"7223779","19.8319","0.0012","19.8319","0.0012","15.2208","0.0019","90","","90","","120","","5184.4","0.8","100","2","100","2","","","","","","","","5","P -3","-P 3","147","","EuTMBD-AgCl-H2S","","- C54 H68.43 Eu4 O27.22 S18 -","- C54 H68.4358 Eu4 O27.2179 S18 -","- C108 H136.872 Eu8 O54.4358 S36 -","2","0.333333","","He, Jun; Zeller, Matthias; Hunter, Allen D.; Xu, Zhengtao","Functional shakeup of metal‒organic frameworks: the rise of the sidekick","CrystEngComm","2015","17","48","9254","","10.1039/C5CE01790D","","","0.71073","MoKα","","0.0805","0.055","","","0.1303","0.1415","","","","","","1.026","","","","has coordinates,has disorder","173653","2020-10-21","18:00:00",""
"7223780","14.2377","0.0004","14.2377","0.0004","21.5385","0.0012","90","","90","","90","","4366.1","0.3","293","2","293","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C36 H93 Cl Mn6 O31 P8 -","- C36 H84 Cl Mn6 O30 P8 -","- C72 H168 Cl2 Mn12 O60 P16 -","2","0.125","","Liu, Jin-ying; Ma, Cheng-bing; Chen, Hui; Chen, Chang-neng","Synthesis, crystal structures and magnetic properties of a family of manganese phosphonate clusters with diverse structures","CrystEngComm","2015","17","45","8736","","10.1039/C5CE01471A","","","0.71073","MoKα","","0.0661","0.0589","","","0.2101","0.2171","","","","","","1.071","","","","has coordinates","194615","2020-10-21","18:00:00",""
"7223781","14.2649","0.0004","14.2649","0.0004","21.6192","0.0013","90","","90","","90","","4399.2","0.3","293","2","293","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C36 H101 Br Mn6 O35 P8 -","- C36 H84 Br Mn6 O35 P8 -","- C72 H168 Br2 Mn12 O70 P16 -","2","0.125","","Liu, Jin-ying; Ma, Cheng-bing; Chen, Hui; Chen, Chang-neng","Synthesis, crystal structures and magnetic properties of a family of manganese phosphonate clusters with diverse structures","CrystEngComm","2015","17","45","8736","","10.1039/C5CE01471A","","","0.71073","MoKα","","0.0778","0.0639","","","0.2","0.2164","","","","","","1.066","","","","has coordinates","194615","2020-10-21","18:00:00",""
"7223782","15.3067","0.0001","16.8196","0.0005","24.5506","0.0009","87.508","0.007","80.791","0.006","70.565","0.005","5883.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H121 Mn13 O57 P11 -","- C51 H121 Mn13 O57 P11 -","- C102 H242 Mn26 O114 P22 -","2","1","","Liu, Jin-ying; Ma, Cheng-bing; Chen, Hui; Chen, Chang-neng","Synthesis, crystal structures and magnetic properties of a family of manganese phosphonate clusters with diverse structures","CrystEngComm","2015","17","45","8736","","10.1039/C5CE01471A","","","0.71073","MoKα","","0.0788","0.0587","","","0.1732","0.1975","","","","","","1.063","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7223783","17.496","0.008","20.314","0.009","18.017","0.008","90","","96.771","0.007","90","","6359","5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C72 H150 K2 Mn15 O64 P10 -","- C72 H122 K2 Mn15 O64 P10 -","- C144 H244 K4 Mn30 O128 P20 -","2","0.5","","Liu, Jin-ying; Ma, Cheng-bing; Chen, Hui; Chen, Chang-neng","Synthesis, crystal structures and magnetic properties of a family of manganese phosphonate clusters with diverse structures","CrystEngComm","2015","17","45","8736","","10.1039/C5CE01471A","","","0.71073","MoKα","","0.0931","0.0776","","","0.2187","0.2436","","","","","","1.015","","","","has coordinates,has disorder","194615","2020-10-21","18:00:00",""
"7223784","5.239","0.002","5.239","0.002","11.567","0.005","90","","90","","90","","317.5","0.2","296","2","296","2","","","","","","","","3","I 41/a","-I 4ad","88","","","","- Bi0.55 Mo O4 -","- Bi0.549 Mo O4 -","- Bi2.196 Mo4 O16 -","4","","","Zhang, Yang; Cong, Hengjiang; Ji, Nianjing; Liu, Jian; Duan, Xiulan; Li, Jing; Cao, Wenwu; Wang, Jiyang; Jiang, Huaidong","Effect of high bismuth deficiency on structure and oxide ion conductivity of a Bi0.55MoO4single crystal","CrystEngComm","2015","17","45","8746","","10.1039/C5CE01765C","","","0.71073","MoKα","","0.0195","0.018","","","0.0474","0.0486","","","","","","1.102","","","","has coordinates","173655","2020-10-21","18:00:00",""
"7223785","7.715","0.0001","11.5101","0.0002","11.1237","0.0002","90","","103.364","0.001","90","","961.04","0.03","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- Bi2 Mo3 O12 -","- Bi2 Mo3 O12 -","- Bi8 Mo12 O48 -","4","1","","Zhang, Yang; Cong, Hengjiang; Ji, Nianjing; Liu, Jian; Duan, Xiulan; Li, Jing; Cao, Wenwu; Wang, Jiyang; Jiang, Huaidong","Effect of high bismuth deficiency on structure and oxide ion conductivity of a Bi0.55MoO4single crystal","CrystEngComm","2015","17","45","8746","","10.1039/C5CE01765C","","","0.71073","MoKα","","0.0247","0.0237","","","0.0587","0.0595","","","","","","1.149","","","","has coordinates","173655","2020-10-21","18:00:00",""
"7223786","18.041","0.002","10.0013","0.0013","7.0529","0.0009","90","","111.642","0.005","90","","1182.9","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-(bis(m2-chloro)-(acridine)-cadmium)","","- C13 H9 Cd Cl2 N -","- C13 H9 Cd Cl2 N -","- C52 H36 Cd4 Cl8 N4 -","4","0.5","","Slabbert, C.; Rademeyer, M.","Structures and trends of one-dimensional halide-bridged polymers of five-coordinate cadmium(ii) and mercury(ii) with benzopyridine and -pyrazine-type N-donor ligands","CrystEngComm","2015","17","47","9070","","10.1039/C5CE01333J","","","0.71073","MoKα","","0.0939","0.0822","","","0.2544","0.2627","","","","","","1.108","","","","has coordinates","173656","2020-10-21","18:00:00",""
"7223787","18.1586","0.0008","10.3322","0.0005","7.2771","0.0004","90","","110.45","0.03","90","","1279.3","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-(bis(m2-bromo)-(acridine)-cadmium)","","- C13 H9 Br2 Cd N -","- C13 H9 Br2 Cd N -","- C52 H36 Br8 Cd4 N4 -","4","0.5","","Slabbert, C.; Rademeyer, M.","Structures and trends of one-dimensional halide-bridged polymers of five-coordinate cadmium(ii) and mercury(ii) with benzopyridine and -pyrazine-type N-donor ligands","CrystEngComm","2015","17","47","9070","","10.1039/C5CE01333J","","","0.71073","MoKα","","0.0534","0.0293","","","0.0713","0.0804","","","","","","1.07","","","","has coordinates","173656","2020-10-21","18:00:00",""
"7223788","17.7013","0.0008","10.792","0.0005","7.6053","0.0003","90","","107.355","0.002","90","","1386.72","0.11","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-(bis(m2-iodido)-(acridine)-cadmium)","","- C13 H9 Cd I2 N -","- C13 H9 Cd I2 N -","- C52 H36 Cd4 I8 N4 -","4","0.5","","Slabbert, C.; Rademeyer, M.","Structures and trends of one-dimensional halide-bridged polymers of five-coordinate cadmium(ii) and mercury(ii) with benzopyridine and -pyrazine-type N-donor ligands","CrystEngComm","2015","17","47","9070","","10.1039/C5CE01333J","","","0.71073","MoKα","","0.0379","0.0276","","","0.0642","0.0683","","","","","","1.074","","","","has coordinates","173656","2020-10-21","18:00:00",""
"7223789","16.6766","0.0009","10.0104","0.0005","7.0588","0.0003","90","","96.055","0.002","90","","1171.82","0.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-(bis(m2-chloro)-(phenazine)-cadmium)","","- C12 H8 Cd Cl2 N2 -","- C12 H8 Cd Cl2 N2 -","- C48 H32 Cd4 Cl8 N8 -","4","0.5","","Slabbert, C.; Rademeyer, M.","Structures and trends of one-dimensional halide-bridged polymers of five-coordinate cadmium(ii) and mercury(ii) with benzopyridine and -pyrazine-type N-donor ligands","CrystEngComm","2015","17","47","9070","","10.1039/C5CE01333J","","","0.71073","MoKα","","0.0368","0.0295","","","0.0686","0.0715","","","","","","1.071","","","","has coordinates","173656","2020-10-21","18:00:00",""
"7223790","17.8278","0.0006","10.0406","0.0004","7.1913","0.0002","90","","111.792","0.002","90","","1195.27","0.07","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-(bis(m2-chloro)-(acridine)-mercury)","","- C13 H9 Cl2 Hg N -","- C13 H9 Cl2 Hg N -","- C52 H36 Cl8 Hg4 N4 -","4","0.5","","Slabbert, C.; Rademeyer, M.","Structures and trends of one-dimensional halide-bridged polymers of five-coordinate cadmium(ii) and mercury(ii) with benzopyridine and -pyrazine-type N-donor ligands","CrystEngComm","2015","17","47","9070","","10.1039/C5CE01333J","","","0.71073","MoKα","","0.0869","0.0745","","","0.1979","0.2099","","","","","","1.02","","","","has coordinates","173656","2020-10-21","18:00:00",""
"7223791","17.9548","0.0013","10.3152","0.0008","7.4205","0.0005","90","","110.814","0.002","90","","1284.64","0.16","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-(bis(m2-bromo)-(acridine)-mercury)","","- C13 H9 Br2 Hg N -","- C13 H9 Br2 Hg N -","- C52 H36 Br8 Hg4 N4 -","4","0.5","","Slabbert, C.; Rademeyer, M.","Structures and trends of one-dimensional halide-bridged polymers of five-coordinate cadmium(ii) and mercury(ii) with benzopyridine and -pyrazine-type N-donor ligands","CrystEngComm","2015","17","47","9070","","10.1039/C5CE01333J","","","0.71073","MoKα","","0.0387","0.025","","","0.0524","0.0561","","","","","","0.983","","","","has coordinates","173656","2020-10-21","18:00:00",""
"7223792","7.7038","0.0002","9.0194","0.0002","9.5803","0.0003","64.986","0.002","80.681","0.002","82.477","0.002","593.82","0.03","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","catena-(bis(m2-chloro)-(phenazine)-mercury)","","- C12 H8 Cl2 Hg N2 -","- C12 H8 Cl2 Hg N2 -","- C24 H16 Cl4 Hg2 N4 -","2","1","","Slabbert, C.; Rademeyer, M.","Structures and trends of one-dimensional halide-bridged polymers of five-coordinate cadmium(ii) and mercury(ii) with benzopyridine and -pyrazine-type N-donor ligands","CrystEngComm","2015","17","47","9070","","10.1039/C5CE01333J","","","0.7107","MoKα","","0.0441","0.0296","","","0.0571","0.0587","","","","","","0.943","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7223793","8.0543","0.0004","9.3336","0.0005","9.7594","0.0005","64.112","0.002","75.888","0.002","83.03","0.002","640.03","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","catena-(bis(m2-bromo)-(phenazine)-mercury)","catena-(bis(m2-bromo)-(phenazine)-mercury)","","- C12 H8 Br2 Hg N2 -","- C12 H8 Br2 Hg N2 -","- C24 H16 Br4 Hg2 N4 -","2","1","","Slabbert, C.; Rademeyer, M.","Structures and trends of one-dimensional halide-bridged polymers of five-coordinate cadmium(ii) and mercury(ii) with benzopyridine and -pyrazine-type N-donor ligands","CrystEngComm","2015","17","47","9070","","10.1039/C5CE01333J","","","0.71073","MoKα","","0.0923","0.0787","","","0.203","0.2177","","","","","","1.063","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7223794","4.0824","0.0002","9.6723","0.0005","11.1027","0.0005","71.406","0.002","80.156","0.002","78.525","0.002","404.48","0.03","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","catena-(bis(2-bromo)-(2-phenazine)-mercury)","","- C12 H8 Br4 Hg2 N2 -","- C12 H8 Br4 Hg2 N2 -","- C12 H8 Br4 Hg2 N2 -","1","0.5","","Slabbert, C.; Rademeyer, M.","Structures and trends of one-dimensional halide-bridged polymers of five-coordinate cadmium(ii) and mercury(ii) with benzopyridine and -pyrazine-type N-donor ligands","CrystEngComm","2015","17","47","9070","","10.1039/C5CE01333J","","","0.71073","MoKα","","0.0272","0.0263","","","0.0691","0.07","","","","","","1.092","","","","has coordinates","173656","2020-10-21","18:00:00",""
"7223795","7.3885","0.0004","7.6432","0.0005","9.6655","0.0007","68.076","0.002","87.897","0.002","88.821","0.002","506","0.06","569","2","569","2","","","","","","","","5","P -1","-P 1","2","","catena-(bis(2-chloro)-(quinoline)-mercury)","","- C9 H7 Cl2 Hg N -","- C9 H7 Cl2 Hg N -","- C18 H14 Cl4 Hg2 N2 -","2","1","","Slabbert, C.; Rademeyer, M.","Structures and trends of one-dimensional halide-bridged polymers of five-coordinate cadmium(ii) and mercury(ii) with benzopyridine and -pyrazine-type N-donor ligands","CrystEngComm","2015","17","47","9070","","10.1039/C5CE01333J","","","0.71073","MoKα","","0.048","0.0369","","","0.0794","0.087","","","","","","1.059","","","","has coordinates","173656","2020-10-21","18:00:00",""
"7223796","7.6214","0.001","7.6716","0.0011","10.0092","0.0014","112.155","0.003","91.133","0.003","91.574","0.003","541.52","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","catena-(bis(2-bromo)-(quinoline)-mercury)","catena-(bis(2-bromo)-(quinoline)-mercury)","","- C9 H7 Br2 Hg N -","- C9 H7 Br2 Hg N -","- C18 H14 Br4 Hg2 N2 -","2","1","","Slabbert, C.; Rademeyer, M.","Structures and trends of one-dimensional halide-bridged polymers of five-coordinate cadmium(ii) and mercury(ii) with benzopyridine and -pyrazine-type N-donor ligands","CrystEngComm","2015","17","47","9070","","10.1039/C5CE01333J","","","0.71073","MoKα","","0.0512","0.0402","","","0.0943","0.1006","","","","","","1.087","","","","has coordinates","173656","2020-10-21","18:00:00",""
"7223797","8.0024","0.0005","8.7714","0.0006","9.5211","0.0006","86.141","0.002","67.909","0.002","71.203","0.002","585.11","0.07","569","2","569","2","","","","","","","","5","P -1","-P 1","2","","bis(2-Iodo)-diiodo-bis(quinoline)-di-mercury","","- C18 H14 Hg2 I4 N2 -","- C18 H14 Hg2 I4 N2 -","- C18 H14 Hg2 I4 N2 -","1","0.5","","Slabbert, C.; Rademeyer, M.","Structures and trends of one-dimensional halide-bridged polymers of five-coordinate cadmium(ii) and mercury(ii) with benzopyridine and -pyrazine-type N-donor ligands","CrystEngComm","2015","17","47","9070","","10.1039/C5CE01333J","","","0.71073","MoKα","","0.0629","0.0553","","","0.1415","0.1483","","","","","","1.059","","","","has coordinates","173656","2020-10-21","18:00:00",""
"7223798","8.1694","0.0004","9.1306","0.0004","9.9609","0.0005","84.347","0.002","70.877","0.002","77.262","0.002","684.44","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","bis(2-Iodo)-diiodo-bis(phenazine)-di-mercury","","- C26 H18 Hg2 I4 N2 -","- C26 H18 Hg2 I4 N2 -","- C26 H18 Hg2 I4 N2 -","1","0.5","","Slabbert, C.; Rademeyer, M.","Structures and trends of one-dimensional halide-bridged polymers of five-coordinate cadmium(ii) and mercury(ii) with benzopyridine and -pyrazine-type N-donor ligands","CrystEngComm","2015","17","47","9070","","10.1039/C5CE01333J","","","0.71073","MoKα","","0.0257","0.0256","","","0.0677","0.0678","","","","","","1.207","","","","has coordinates","173656","2020-10-21","18:00:00",""
"7223799","5.8253","0.0007","8.3302","0.0005","42.609","0.002","90","","90","","90","","2067.6","0.3","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H26 O6 S -","- C23 H26 O6 S -","- C92 H104 O24 S4 -","4","1","","Pal, Kumar Bhaskar; Sarkar, Vikramjit; Mukhopadhyay, Balaram","Hydrogen bonding-induced conformational change in a crystalline sugar derivative","CrystEngComm","2016","18","7","1156","","10.1039/C5CE01893E","","x-ray","0.71073","MoKα","","0.0582","0.0527","","","0.1081","0.1103","","","","","","1.153","","","","has coordinates","177736","2020-10-21","18:00:00",""
"7223800","5.1361","0.0003","8.6117","0.0005","15.789","0.0008","90","","96.403","0.005","90","","694","0.07","291.85","0.1","291.85","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H18 O5 S -","- C13 H18 O5 S -","- C26 H36 O10 S2 -","2","1","","Pal, Kumar Bhaskar; Sarkar, Vikramjit; Mukhopadhyay, Balaram","Hydrogen bonding-induced conformational change in a crystalline sugar derivative","CrystEngComm","2016","18","7","1156","","10.1039/C5CE01893E","","x-ray","0.71073","MoKα","","0.0366","0.0345","","","0.0837","0.0856","","","","","","1.034","","","","has coordinates","177736","2020-10-21","18:00:00",""
"7223801","11.1679","0.0007","7.7832","0.0005","19.3582","0.0013","90","","100.192","0.007","90","","1656.1","0.19","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H23 O5.5 S -","- C16 H23 O5.5 S -","- C64 H92 O22 S4 -","4","2","","Pal, Kumar Bhaskar; Sarkar, Vikramjit; Mukhopadhyay, Balaram","Hydrogen bonding-induced conformational change in a crystalline sugar derivative","CrystEngComm","2016","18","7","1156","","10.1039/C5CE01893E","","x-ray","0.71073","MoKα","","0.0835","0.0655","","","0.1126","0.1213","","","","","","1.049","","","","has coordinates","194155","2020-10-21","18:00:00",""
"7223834","10.5276","0.0008","11.0184","0.0008","12.8075","0.0008","90","","100.792","0.007","90","","1459.36","0.18","293","2","293.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H38 N4 O6 -","- C26 H38 N4 O6 -","- C52 H76 N8 O12 -","2","1","","Podder, Debasish; Sasmal, Supriya; Maji, Krishnendu; Haldar, Debasish","Supramolecular tryptophan-zipper forms a tripeptide as a regular proton transporter","CrystEngComm","2016","18","22","4109","","10.1039/C5CE02005K","","","0.71073","MoKα","","0.1416","0.079","","","0.1865","0.2206","","","","","","0.963","","","","has coordinates,has disorder","185173","2020-10-21","18:00:00",""
"7223835","8.9295","0.0002","15.865","0.0004","21.5604","0.0007","90","","90","","90","","3054.39","0.14","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H42 N4 O7 -","- C27 H42 N4 O7 -","- C108 H168 N16 O28 -","4","1","","Podder, Debasish; Sasmal, Supriya; Maji, Krishnendu; Haldar, Debasish","Supramolecular tryptophan-zipper forms a tripeptide as a regular proton transporter","CrystEngComm","2016","18","22","4109","","10.1039/C5CE02005K","","x-ray","0.71073","MoKα","","0.0416","0.0384","","","0.1045","0.1062","","","","","","1.152","","","","has coordinates","185173","2020-10-21","18:00:00",""
"7223836","28.2798","0.0011","28.2798","0.0011","5.9321","0.0003","90","","90","","120","","4108.6","0.3","170","2","170","","","","","","","","","3","P 65","P 65","170","","vitamin D3","","- C27 H44 O -","- C27 H44 O -","- C162 H264 O6 -","6","1","","Wang, Jian-Rong; Zhu, Bingqing; Yu, Qihui; Mei, Xuefeng","Selective crystallization of vitamin D3for the preparation of novel conformational polymorphs with distinctive chemical stability","CrystEngComm","2016","18","7","1101","","10.1039/C5CE02431E","","","0.71073","MoKα","","0.1118","0.0654","","","0.1492","0.1728","","","","","","1.021","","","","has coordinates,has disorder","177739","2020-10-21","18:00:00",""
"7223837","6.2713","0.0005","13.5593","0.0011","10.7931","0.0008","90","","97.635","0.009","90","","909.65","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H6 O2 Pd S4 -","- C4 H6 O2 Pd S4 -","- C16 H24 O8 Pd4 S16 -","4","1","","Tan, Yee Seng; Halim, Siti Nadiah Abdul; Molloy, Kieran C.; Sudlow, Anna L.; Otero-de-la-Roza, A.; Tiekink, Edward R. T.","Persistence of C‒H⋯π(chelate ring) interactions in the crystal structures of Pd(S2COR)2. The utility of Pd(S2COR)2as precursors for palladium sulphide materials","CrystEngComm","2016","18","7","1105","","10.1039/C5CE02126J","","","0.71073","MoKα","","0.0714","0.0421","","","0.0709","0.0834","","","","","","1.017","","","","has coordinates","177740","2020-10-21","18:00:00",""
"7223838","7.5034","0.0004","7.2125","0.0004","20.7854","0.0012","90","","90","","90","","1124.87","0.11","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H10 O2 Pd S4 -","- C6 H10 O2 Pd S4 -","- C24 H40 O8 Pd4 S16 -","4","0.5","","Tan, Yee Seng; Halim, Siti Nadiah Abdul; Molloy, Kieran C.; Sudlow, Anna L.; Otero-de-la-Roza, A.; Tiekink, Edward R. T.","Persistence of C‒H⋯π(chelate ring) interactions in the crystal structures of Pd(S2COR)2. The utility of Pd(S2COR)2as precursors for palladium sulphide materials","CrystEngComm","2016","18","7","1105","","10.1039/C5CE02126J","","","1.54178","CuKα","","0.0282","0.0251","","","0.0691","0.0721","","","","","","1.127","","","","has coordinates","177740","2020-10-21","18:00:00",""
"7223839","7.4778","0.0004","9.5272","0.0006","9.8084","0.0005","74.832","0.005","86.458","0.004","76.292","0.005","655.22","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H14 O2 Pd S4 -","- C8 H14 O2 Pd S4 -","- C16 H28 O4 Pd2 S8 -","2","1","","Tan, Yee Seng; Halim, Siti Nadiah Abdul; Molloy, Kieran C.; Sudlow, Anna L.; Otero-de-la-Roza, A.; Tiekink, Edward R. T.","Persistence of C‒H⋯π(chelate ring) interactions in the crystal structures of Pd(S2COR)2. The utility of Pd(S2COR)2as precursors for palladium sulphide materials","CrystEngComm","2016","18","7","1105","","10.1039/C5CE02126J","","","0.71073","MoKα","","0.0473","0.0334","","","0.0694","0.0775","","","","","","1.068","","","","has coordinates","177740","2020-10-21","18:00:00",""
"7223840","9.9077","0.0006","5.872","0.0003","11.9621","0.0006","90","","102.752","0.005","90","","678.77","0.07","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H14 O2 Pd S4 -","- C8 H14 O2 Pd S4 -","- C16 H28 O4 Pd2 S8 -","2","0.5","","Tan, Yee Seng; Halim, Siti Nadiah Abdul; Molloy, Kieran C.; Sudlow, Anna L.; Otero-de-la-Roza, A.; Tiekink, Edward R. T.","Persistence of C‒H⋯π(chelate ring) interactions in the crystal structures of Pd(S2COR)2. The utility of Pd(S2COR)2as precursors for palladium sulphide materials","CrystEngComm","2016","18","7","1105","","10.1039/C5CE02126J","","","0.71073","MoKα","","0.0313","0.0277","","","0.0718","0.0741","","","","","","1.054","","","","has coordinates","177740","2020-10-21","18:00:00",""
"7223841","5.7038","0.0004","6.7822","0.0004","10.5967","0.0008","72.42","0.006","78.467","0.006","79.852","0.005","379.94","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H18 O2 Pd S4 -","- C10 H18 O2 Pd S4 -","- C10 H18 O2 Pd S4 -","1","0.5","","Tan, Yee Seng; Halim, Siti Nadiah Abdul; Molloy, Kieran C.; Sudlow, Anna L.; Otero-de-la-Roza, A.; Tiekink, Edward R. T.","Persistence of C‒H⋯π(chelate ring) interactions in the crystal structures of Pd(S2COR)2. The utility of Pd(S2COR)2as precursors for palladium sulphide materials","CrystEngComm","2016","18","7","1105","","10.1039/C5CE02126J","","","0.71073","MoKα","","0.0263","0.024","","","0.0613","0.0638","","","","","","1.103","","","","has coordinates","177740","2020-10-21","18:00:00",""
"7223842","6.0243","0.0004","8.0461","0.0006","8.9366","0.0007","111.05","0.007","99.851","0.006","103.836","0.006","376.42","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H18 O2 Pd S4 -","- C10 H18 O2 Pd S4 -","- C10 H18 O2 Pd S4 -","1","0.5","","Tan, Yee Seng; Halim, Siti Nadiah Abdul; Molloy, Kieran C.; Sudlow, Anna L.; Otero-de-la-Roza, A.; Tiekink, Edward R. T.","Persistence of C‒H⋯π(chelate ring) interactions in the crystal structures of Pd(S2COR)2. The utility of Pd(S2COR)2as precursors for palladium sulphide materials","CrystEngComm","2016","18","7","1105","","10.1039/C5CE02126J","","","1.54184","CuKα","","0.0283","0.0282","","","0.0766","0.0769","","","","","","1.048","","","","has coordinates","177740","2020-10-21","18:00:00",""
"7223843","7.0663","0.0005","8.4457","0.0003","9.2536","0.0004","63.74","0.004","73.752","0.003","83.782","0.003","475.4","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H26 O2 Pd S4 -","- C14 H26 O2 Pd S4 -","- C14 H26 O2 Pd S4 -","1","0.5","","Tan, Yee Seng; Halim, Siti Nadiah Abdul; Molloy, Kieran C.; Sudlow, Anna L.; Otero-de-la-Roza, A.; Tiekink, Edward R. T.","Persistence of C‒H⋯π(chelate ring) interactions in the crystal structures of Pd(S2COR)2. The utility of Pd(S2COR)2as precursors for palladium sulphide materials","CrystEngComm","2016","18","7","1105","","10.1039/C5CE02126J","","","0.71073","MoKα","","0.0181","0.0166","","","0.0418","0.0429","","","","","","1.041","","","","has coordinates","177740","2020-10-21","18:00:00",""
"7223844","6.1398","0.0006","6.7176","0.0005","11.9393","0.001","90.02","0.007","99.397","0.007","95.377","0.007","483.63","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H26 O2 Pd S4 -","- C14 H26 O2 Pd S4 -","- C14 H26 O2 Pd S4 -","1","0.5","","Tan, Yee Seng; Halim, Siti Nadiah Abdul; Molloy, Kieran C.; Sudlow, Anna L.; Otero-de-la-Roza, A.; Tiekink, Edward R. T.","Persistence of C‒H⋯π(chelate ring) interactions in the crystal structures of Pd(S2COR)2. The utility of Pd(S2COR)2as precursors for palladium sulphide materials","CrystEngComm","2016","18","7","1105","","10.1039/C5CE02126J","","","1.54184","CuKα","","0.059","0.0563","","","0.1583","0.1636","","","","","","1.081","","","","has coordinates","177740","2020-10-21","18:00:00",""
"7223845","6.882","0.0011","7.3531","0.0012","10.0455","0.001","70.305","0.012","70.788","0.012","67.164","0.015","429.42","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H22 O2 Pd S4 -","- C12 H22 O2 Pd S4 -","- C12 H22 O2 Pd S4 -","1","0.5","","Tan, Yee Seng; Halim, Siti Nadiah Abdul; Molloy, Kieran C.; Sudlow, Anna L.; Otero-de-la-Roza, A.; Tiekink, Edward R. T.","Persistence of C‒H⋯π(chelate ring) interactions in the crystal structures of Pd(S2COR)2. The utility of Pd(S2COR)2as precursors for palladium sulphide materials","CrystEngComm","2016","18","7","1105","","10.1039/C5CE02126J","","","1.54184","CuKα","","0.058","0.0543","","","0.1584","0.1659","","","","","","1.093","","","","has coordinates","177740","2020-10-21","18:00:00",""
"7223846","6.5622","0.0004","6.8643","0.0005","9.8385","0.0007","84.811","0.006","76.424","0.006","83.388","0.006","427","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H22 O2 Pd S4 -","- C12 H22 O2 Pd S4 -","- C12 H22 O2 Pd S4 -","1","0.5","","Tan, Yee Seng; Halim, Siti Nadiah Abdul; Molloy, Kieran C.; Sudlow, Anna L.; Otero-de-la-Roza, A.; Tiekink, Edward R. T.","Persistence of C‒H⋯π(chelate ring) interactions in the crystal structures of Pd(S2COR)2. The utility of Pd(S2COR)2as precursors for palladium sulphide materials","CrystEngComm","2016","18","7","1105","","10.1039/C5CE02126J","","","0.71073","MoKα","","0.0327","0.0294","","","0.0781","0.0829","","","","","","1.129","","","","has coordinates","177740","2020-10-21","18:00:00",""
"7223847","6.2746","0.0003","6.3302","0.0004","11.4138","0.0006","79.69","0.005","88.152","0.004","86.065","0.005","444.89","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H22 O2 Pd S4 -","- C12 H22 O2 Pd S4 -","- C12 H22 O2 Pd S4 -","1","0.5","","Tan, Yee Seng; Halim, Siti Nadiah Abdul; Molloy, Kieran C.; Sudlow, Anna L.; Otero-de-la-Roza, A.; Tiekink, Edward R. T.","Persistence of C‒H⋯π(chelate ring) interactions in the crystal structures of Pd(S2COR)2. The utility of Pd(S2COR)2as precursors for palladium sulphide materials","CrystEngComm","2016","18","7","1105","","10.1039/C5CE02126J","","","0.71073","MoKα","","0.0276","0.0234","","","0.0472","0.0492","","","","","","1.066","","","","has coordinates","177740","2020-10-21","18:00:00",""
"7223848","6.8083","0.0005","7.5446","0.0004","10.4837","0.0008","101.008","0.006","98.983","0.006","112.048","0.006","474.33","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H26 O2 Pd S4 -","- C14 H26 O2 Pd S4 -","- C14 H26 O2 Pd S4 -","1","0.5","","Tan, Yee Seng; Halim, Siti Nadiah Abdul; Molloy, Kieran C.; Sudlow, Anna L.; Otero-de-la-Roza, A.; Tiekink, Edward R. T.","Persistence of C‒H⋯π(chelate ring) interactions in the crystal structures of Pd(S2COR)2. The utility of Pd(S2COR)2as precursors for palladium sulphide materials","CrystEngComm","2016","18","7","1105","","10.1039/C5CE02126J","","","0.71073","MoKα","","0.0329","0.0291","","","0.0644","0.0678","","","","","","1.08","","","","has coordinates","177740","2020-10-21","18:00:00",""
"7223863","14.07","0.006","14.07","0.006","19.864","0.008","90","","90","","120","","3406","2","100","2","100","2","","","","","","","synthesis as described","5","R -3 :H","-R 3","148","","Poly{[tris(mu4-biphenyl-4,4'-dicarboxylato-kO:kO':kO'':kO''')diaquatricadmium(II)]dimethylformamide}","","- C45 H35 Cd3 N O15 -","- C42 H24 Cd3 O14 -","- C126 H72 Cd9 O42 -","3","0.166667","","Fernández, Belén; Beobide, Garikoitz; Sánchez, Ignacio; Carrasco-Marín, Francisco; Seco, José M.; Calahorro, Antonio J.; Cepeda, Javier; Rodríguez-Diéguez, Antonio","Controlling interpenetration for tuning porosity and luminescence properties of flexible MOFs based on biphenyl-4,4′-dicarboxylic acid","CrystEngComm","2016","18","8","1282","","10.1039/C5CE02036K","","","0.71073","MoKα","","0.1186","0.0547","","","0.1396","0.1548","","","","","","1.006","","","","has coordinates","177755","2020-10-21","18:00:00",""
"7223864","47.928","0.004","13.828","0.001","26.187","0.002","90","","114.491","0.002","90","","15794","2","100","2","100","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","Poly{[bis(mu4-biphenyl-4,4'-dicarboxylato-kO:kO':kO'':kO''')(mu4-biphenyl-4,4'-dicarboxylato-kO:kO,O':kO'':kO'',O''')(mu-1,4-bis(4-pyridyl)-2,3-diaza-1,3-butadiene)trizinc(II)]pentakisdimethylformamide}","","- C69 H69 N9 O17 Zn3 -","- C54 H34 N4 O12 Zn3 -","- C432 H272 N32 O96 Zn24 -","8","1","","Fernández, Belén; Beobide, Garikoitz; Sánchez, Ignacio; Carrasco-Marín, Francisco; Seco, José M.; Calahorro, Antonio J.; Cepeda, Javier; Rodríguez-Diéguez, Antonio","Controlling interpenetration for tuning porosity and luminescence properties of flexible MOFs based on biphenyl-4,4′-dicarboxylic acid","CrystEngComm","2016","18","8","1282","","10.1039/C5CE02036K","","","0.71073","MoKα","","0.0877","0.0538","","","0.1338","0.1443","","","","","","0.925","","","","has coordinates","177755","2020-10-21","18:00:00",""
"7223865","15.174","0.002","15.185","0.002","18.174","0.002","81.094","0.003","84.734","0.003","78.952","0.003","4052.1","0.9","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","Poly{[bis(mu4-biphenyl-4,4'-dicarboxylato-kO:kO':kO'':kO''')(mu-1,4-bis(4-pyridyl)-2,3-diaza-1,3-butadiene)dizinc(II)]heptakisdimethylformamide}","","- C61 H75 N11 O15 Zn2 -","- C40 H26 N4 O8 Zn2 -","- C80 H52 N8 O16 Zn4 -","2","1","","Fernández, Belén; Beobide, Garikoitz; Sánchez, Ignacio; Carrasco-Marín, Francisco; Seco, José M.; Calahorro, Antonio J.; Cepeda, Javier; Rodríguez-Diéguez, Antonio","Controlling interpenetration for tuning porosity and luminescence properties of flexible MOFs based on biphenyl-4,4′-dicarboxylic acid","CrystEngComm","2016","18","8","1282","","10.1039/C5CE02036K","","","0.71073","MoKα","","0.0814","0.0598","","","0.1542","0.1605","","","","","","0.998","","","","has coordinates","177755","2020-10-21","18:00:00",""
"7223866","17.256","0.004","23.227","0.006","25.426","0.006","90","","90","","90","","10191","4","100","2","100","2","","","","","","","synthesis as described","5","P n n m","-P 2 2n","58","","Poly{[diaquatris(mu4-biphenyl-4,4'-dicarboxylato-kO:kO':kO'':kO''')dimethylformamide(mu4-oxo)tetrazinc(II)]heptakisdimethylformamidetrihydrate}","","- C66 H88 N8 O25 Zn4 -","- C47.4 H24 N1.8 O16.8 Zn4 -","- C189.6 H96 N7.2 O67.2 Zn16 -","4","0.5","","Fernández, Belén; Beobide, Garikoitz; Sánchez, Ignacio; Carrasco-Marín, Francisco; Seco, José M.; Calahorro, Antonio J.; Cepeda, Javier; Rodríguez-Diéguez, Antonio","Controlling interpenetration for tuning porosity and luminescence properties of flexible MOFs based on biphenyl-4,4′-dicarboxylic acid","CrystEngComm","2016","18","8","1282","","10.1039/C5CE02036K","","","0.71073","MoKα","","0.0747","0.0711","","","0.1975","0.2018","","","","","","1.09","","","","has coordinates,has disorder","177755","2020-10-21","18:00:00",""
"7223867","17.726","0.002","17.726","0.002","38.491","0.005","90","","90","","90","","12094","2","298","2","298","2","","","","","","","","6","I 41/a m d","-I 4bd 2","141","","","","- C24 H54 Co6 F12 N8 O43 -","- C24 H54 Co6 F12 N8 O43 -","- C192 H432 Co48 F96 N64 O344 -","8","","","Cai, Song-Liang; Zheng, Sheng-Run; Fan, Jun; Zeng, Rong-Hua; Zhang, Wei-Guang","Two new three-dimensional metal‒organic frameworks with 4-connected diamondoid and unusual (6,16)-connected net topologies based on planar tetranuclear squares as secondary building units","CrystEngComm","2016","18","7","1174","","10.1039/C5CE02138C","","","0.71073","MoKα","","0.0802","0.0531","","","0.1439","0.166","","","","","","1.038","","","","has coordinates","177737","2020-10-21","18:00:00",""
"7223868","32.9672","0.0002","32.9672","0.0002","32.9672","0.0002","90","","90","","90","","35829.9","0.4","153","2","153","2","","","","","","","","6","I -4 3 d","I -4bd 2c 3","220","","","","- C42 H24 F18 Mn7 N15 O24 -","- C42 H24 F18 Mn7 N15 O24 -","- C672 H384 F288 Mn112 N240 O384 -","16","0.333333","","Cai, Song-Liang; Zheng, Sheng-Run; Fan, Jun; Zeng, Rong-Hua; Zhang, Wei-Guang","Two new three-dimensional metal‒organic frameworks with 4-connected diamondoid and unusual (6,16)-connected net topologies based on planar tetranuclear squares as secondary building units","CrystEngComm","2016","18","7","1174","","10.1039/C5CE02138C","","","1.54178","CuKα","","0.1273","0.0795","","","0.1877","0.2056","","","","","","1.081","","","","has coordinates","177737","2020-10-21","18:00:00",""
"7223869","20.2531","0.0007","19.4998","0.0004","29.3833","0.0008","90","","122.99","0.003","90","","9733.4","0.6","100","1","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H62 Co4.5 N34 O12 W3 -","- C72 H54 Co4.5 N34 O12 W3 -","- C288 H216 Co18 N136 O48 W12 -","4","1","","Chorazy, Szymon; Hoczek, Anna; Kubicki, Maciej; Tokoro, Hiroko; Ohkoshi, Shin-ichi; Sieklucka, Barbara; Podgajny, Robert","The solvent effect on the structural and magnetic features of bidentate ligand-capped {CoII9[WV(CN)8]6} single-molecule magnets","CrystEngComm","2016","18","9","1495","","10.1039/C5CE02064F","","x-ray","0.71073","MoKα","","0.1443","0.0855","","","0.1817","0.2134","","","","","","1.06","","","","has coordinates","177767","2020-10-21","18:00:00",""
"7223870","19.0923","0.0003","20.3195","0.0004","31.5482","0.0006","72.427","0.001","77.063","0.001","68.621","0.001","10775.3","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C164.5 H169.5 Co9 N72.5 O28.5 W6 -","- C164.5 H142.5 Co9 N72.5 O28.5 W6 -","- C329 H285 Co18 N145 O57 W12 -","2","1","","Chorazy, Szymon; Hoczek, Anna; Kubicki, Maciej; Tokoro, Hiroko; Ohkoshi, Shin-ichi; Sieklucka, Barbara; Podgajny, Robert","The solvent effect on the structural and magnetic features of bidentate ligand-capped {CoII9[WV(CN)8]6} single-molecule magnets","CrystEngComm","2016","18","9","1495","","10.1039/C5CE02064F","","x-ray","0.71075","MoKα","","0.0458","0.0371","","","0.0885","0.0979","","","","","","1.04","","","","has coordinates","177767","2020-10-21","18:00:00",""
"7223871","19.4379","0.0004","35.2593","0.0009","30.9195","0.0006","90","","91.67","0.006","90","","21182.2","0.8","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C165 H164.5 Co9 N69.5 O24 W6 -","- C165 H118.5 Co9 N69.5 O24 W6 -","- C660 H474 Co36 N278 O96 W24 -","4","1","","Chorazy, Szymon; Hoczek, Anna; Kubicki, Maciej; Tokoro, Hiroko; Ohkoshi, Shin-ichi; Sieklucka, Barbara; Podgajny, Robert","The solvent effect on the structural and magnetic features of bidentate ligand-capped {CoII9[WV(CN)8]6} single-molecule magnets","CrystEngComm","2016","18","9","1495","","10.1039/C5CE02064F","","x-ray","0.71075","MoKα","","0.1307","0.107","","","0.2028","0.2123","","","","","","1.187","","","","has coordinates,has disorder","177767","2020-10-21","18:00:00",""
"7223876","16.6133","0.001","6.9533","0.0004","19.4632","0.0011","90","","106.99","0.001","90","","2150.2","0.2","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","aripiprazole; 7-(4-(4-(2,3-dichlorophenyl)-1-piperazinyl)butoxy)-3,4-dihydrocarbostyril","7-(4-(4-(2,3-Dichlorophenyl)-1-piperazinyl)butoxy)-3,4-dihydro-2(1H)-quinolinone","","- C23 H27 Cl2 N3 O2 -","- C23 H27 Cl2 N3 O2 -","- C92 H108 Cl8 N12 O8 -","4","1","","Zeidan, T. A.; Trotta, J. T.; Tilak, P. A.; Oliveira, M. A.; Chiarella, R. A.; Foxman, B. M.; Almarsson, Ö.; Hickey, M. B.","An unprecedented case of dodecamorphism: the twelfth polymorph of aripiprazole formed by seeding with its active metabolite","CrystEngComm","2016","18","9","1486","","10.1039/C5CE02467F","","","0.71073","MoKα","","0.0462","0.0345","","0.0824","0.0767","0.0824","","","","","","0.9636","","","","has coordinates,has disorder","177759","2020-10-21","18:00:00",""
"7223877","7.7282","0.0006","10.7005","0.0008","15.4954","0.0012","83.863","0.001","78.191","0.001","73.576","0.001","1201.46","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","aripiprazole 1-propanol solvate; 7-(4-(4-(2,3-dichlorophenyl)-1-piperazinyl)butoxy)-3,4-dihydrocarbostyril 1-propanol solvate","7-(4-(4-(2,3-dichlorophenyl)-1-piperazinyl)butoxy)-3,4-dihydroquinolin-2(1H)-one 1-propanol solvate","","- C24.5 H30.5 Cl2 N3 O2.5 -","- C24.5 H30.5 Cl2 N3 O2.5 -","- C49 H61 Cl4 N6 O5 -","2","1","","Zeidan, T. A.; Trotta, J. T.; Tilak, P. A.; Oliveira, M. A.; Chiarella, R. A.; Foxman, B. M.; Almarsson, Ö.; Hickey, M. B.","An unprecedented case of dodecamorphism: the twelfth polymorph of aripiprazole formed by seeding with its active metabolite","CrystEngComm","2016","18","9","1486","","10.1039/C5CE02467F","","x-ray","0.71073","MoKα","","0.0611","0.0411","","","0.0972","0.1099","","","","","","1.034","","","","has coordinates","177759","2020-10-21","18:00:00",""
"7223878","14.4563","0.0014","24.746","0.002","14.626","0.002","90","","112.294","0.006","90","","4841.1","0.9","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","phthalonitrile","","","- C30 H12 N6 O3 -","- C30 H12 N6 O3 -","- C240 H96 N48 O24 -","8","1","","Köç, Muzaffer; Zorlu, Yunus; İşci, Ümit; Berber, Savaş; Ahsen, Vefa; Dumoulin, Fabienne","A library of dimeric and trimeric phthalonitriles linked by a single aromatic ring: comparative structural and DFT investigations","CrystEngComm","2016","18","8","1416","","10.1039/C5CE02261D","","","0.71073","MoKα","","0.1219","0.0539","","","0.1045","0.1294","","","","","","1.039","","","","has coordinates","177754","2020-10-21","18:00:00",""
"7223879","8.0768","0.0005","8.5809","0.0005","13.4764","0.0008","74.672","0.003","88.214","0.003","77.262","0.003","878.24","0.09","150","2","150","2","","","","","","","","4","P -1","-P 1","2","phthalonitrile","","","- C22 H10 N4 O2 -","- C22 H10 N4 O2 -","- C44 H20 N8 O4 -","2","1","","Köç, Muzaffer; Zorlu, Yunus; İşci, Ümit; Berber, Savaş; Ahsen, Vefa; Dumoulin, Fabienne","A library of dimeric and trimeric phthalonitriles linked by a single aromatic ring: comparative structural and DFT investigations","CrystEngComm","2016","18","8","1416","","10.1039/C5CE02261D","","","0.71073","MoKα","","0.0353","0.0323","","","0.0815","0.0843","","","","","","1.099","","","","has coordinates","177754","2020-10-21","18:00:00",""
"7223880","10.2611","0.001","13.4117","0.0012","18.9648","0.0017","90","","101.601","0.006","90","","2556.6","0.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","phthalonitrile","","","- C30 H26 N4 O2 -","- C30 H26 N4 O2 -","- C120 H104 N16 O8 -","4","1","","Köç, Muzaffer; Zorlu, Yunus; İşci, Ümit; Berber, Savaş; Ahsen, Vefa; Dumoulin, Fabienne","A library of dimeric and trimeric phthalonitriles linked by a single aromatic ring: comparative structural and DFT investigations","CrystEngComm","2016","18","8","1416","","10.1039/C5CE02261D","","","0.71073","MoKα","","0.0909","0.0496","","","0.1109","0.1277","","","","","","1.08","","","","has coordinates","177754","2020-10-21","18:00:00",""
"7223881","20.9421","0.0011","5.0644","0.0003","32.897","0.0019","90","","90","","90","","3489","0.3","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","phthalonitrile","","","- C22 H10 N4 O2 -","- C22 H10 N4 O2 -","- C176 H80 N32 O16 -","8","2","","Köç, Muzaffer; Zorlu, Yunus; İşci, Ümit; Berber, Savaş; Ahsen, Vefa; Dumoulin, Fabienne","A library of dimeric and trimeric phthalonitriles linked by a single aromatic ring: comparative structural and DFT investigations","CrystEngComm","2016","18","8","1416","","10.1039/C5CE02261D","","","0.71073","MoKα","","0.079","0.045","","","0.0758","0.0869","","","","","","1.035","","","","has coordinates","177754","2020-10-21","18:00:00",""
"7223882","13.7511","0.0006","7.3953","0.0003","17.5013","0.0008","90","","91.983","0.002","90","","1778.7","0.13","148","2","148","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","phthalonitrile","","","- C22 H10 N4 O2 -","- C22 H10 N4 O2 -","- C88 H40 N16 O8 -","4","0.5","","Köç, Muzaffer; Zorlu, Yunus; İşci, Ümit; Berber, Savaş; Ahsen, Vefa; Dumoulin, Fabienne","A library of dimeric and trimeric phthalonitriles linked by a single aromatic ring: comparative structural and DFT investigations","CrystEngComm","2016","18","8","1416","","10.1039/C5CE02261D","","","0.71073","MoKα","","0.0384","0.0341","","","0.0944","0.098","","","","","","1.109","","","","has coordinates","177754","2020-10-21","18:00:00",""
"7223893","9.8229","0.0002","11.4914","0.0002","16.3886","0.0003","94.801","0.005","103.133","0.004","97.661","0.005","1772.97","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H35 La N4 O13 -","- C36 H35 La N4 O13 -","- C72 H70 La2 N8 O26 -","2","1","","Karmakar, Anirban; Hazra, Susanta; Guedes da Silva, M. Fátima C.; Paul, Anup; Pombeiro, Armando J. L.","Nanoporous lanthanide metal‒organic frameworks as efficient heterogeneous catalysts for the Henry reaction","CrystEngComm","2016","18","8","1337","","10.1039/C5CE01456E","","","0.71069","MoKα","","0.0622","0.0543","","","0.1546","0.1588","","","","","","0.963","","","","has coordinates","177751","2020-10-21","18:00:00",""
"7223894","9.8826","0.0002","11.5594","0.0003","16.3655","0.0004","94.257","0.001","103.951","0.001","97.86","0.002","1786.14","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H35 Ce N4 O13 -","- C36 H35 Ce N4 O13 -","- C72 H70 Ce2 N8 O26 -","2","1","","Karmakar, Anirban; Hazra, Susanta; Guedes da Silva, M. Fátima C.; Paul, Anup; Pombeiro, Armando J. L.","Nanoporous lanthanide metal‒organic frameworks as efficient heterogeneous catalysts for the Henry reaction","CrystEngComm","2016","18","8","1337","","10.1039/C5CE01456E","","","0.71073","MoKα","","0.0561","0.0505","","","0.148","0.1516","","","","","","1.078","","","","has coordinates","177751","2020-10-21","18:00:00",""
"7223895","27.0059","0.0007","27.0059","0.0007","27.0059","0.0007","90","","90","","90","","19695.9","0.9","150","2","150","2","","","","","","","","5","I a -3","-I 2b 2c 3","206","","","","- C31 H43 La N6 O14 -","- C20 H14 La N2 O10 -","- C480 H336 La24 N48 O240 -","24","0.5","","Karmakar, Anirban; Hazra, Susanta; Guedes da Silva, M. Fátima C.; Paul, Anup; Pombeiro, Armando J. L.","Nanoporous lanthanide metal‒organic frameworks as efficient heterogeneous catalysts for the Henry reaction","CrystEngComm","2016","18","8","1337","","10.1039/C5CE01456E","","","0.71073","MoKα","","0.0844","0.0648","","","0.1907","0.223","","","","","","1.049","","","","has coordinates,has disorder","177751","2020-10-21","18:00:00",""
"7223896","26.921","0.002","26.921","0.002","26.921","0.002","90","","90","","90","","19511","3","150","2","150","2","","","","","","","","5","I a -3","-I 2b 2c 3","206","","","","- C29 H36 Ce N5 O13 -","- C20 H14 Ce N2 O10 -","- C480 H336 Ce24 N48 O240 -","24","0.5","","Karmakar, Anirban; Hazra, Susanta; Guedes da Silva, M. Fátima C.; Paul, Anup; Pombeiro, Armando J. L.","Nanoporous lanthanide metal‒organic frameworks as efficient heterogeneous catalysts for the Henry reaction","CrystEngComm","2016","18","8","1337","","10.1039/C5CE01456E","","","0.71073","MoKα","","0.0588","0.0496","","","0.1343","0.1456","","","","","","1.073","","","","has coordinates,has disorder","177751","2020-10-21","18:00:00",""
"7223897","26.681","0.003","26.681","0.003","26.681","0.003","90","","90","","90","","18994","4","150","2","150","2","","","","","","","","5","I a -3","-I 2b 2c 3","206","","","","- C23 H24 N5 O13 Sm -","- C20 H14 N2 O10 Sm -","- C480 H336 N48 O240 Sm24 -","24","0.5","","Karmakar, Anirban; Hazra, Susanta; Guedes da Silva, M. Fátima C.; Paul, Anup; Pombeiro, Armando J. L.","Nanoporous lanthanide metal‒organic frameworks as efficient heterogeneous catalysts for the Henry reaction","CrystEngComm","2016","18","8","1337","","10.1039/C5CE01456E","","","0.71073","MoKα","","0.0741","0.0452","","","0.1152","0.1283","","","","","","1.025","","","","has coordinates,has disorder","177751","2020-10-21","18:00:00",""
"7223898","25.917","0.003","25.917","0.003","30.915","0.004","90","","90","","120","","17983","4","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C33 H43 N8 O13.17 Sm -","- C33 H43 N8 O13.1667 Sm -","- C594 H774 N144 O237 Sm18 -","18","1","","Masuya-Suzuki, Atsuko; Matsubara, Nozomi; Karashimada, Ryunosuke; Hoshino, Hitoshi; Iki, Nobuhiko","Topological modulation of the porous structure of a coordination polymer constructed from a flexible building block via framework‒guest interaction during self-assembly","CrystEngComm","2016","18","6","872","","10.1039/C5CE01804H","","","0.71073","MoKα","","0.079","0.0496","","","0.1197","0.138","","","","","","1.049","","","","has coordinates,has disorder","175963","2020-10-21","18:00:00",""
"7223899","25.758","0.004","25.758","0.004","30.055","0.004","90","","90","","120","","17269","4","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C30.33 H36.53 N7 O12.5 Sm -","- C30.3333 H36.99 N7 O12.5 Sm -","- C546 H665.82 N126 O225 Sm18 -","18","1","","Masuya-Suzuki, Atsuko; Matsubara, Nozomi; Karashimada, Ryunosuke; Hoshino, Hitoshi; Iki, Nobuhiko","Topological modulation of the porous structure of a coordination polymer constructed from a flexible building block via framework‒guest interaction during self-assembly","CrystEngComm","2016","18","6","872","","10.1039/C5CE01804H","","","0.71073","MoKα","","0.1306","0.0502","","","0.0925","0.1239","","","","","","1.003","","","","has coordinates,has disorder","175963","2020-10-21","18:00:00",""
"7223912","24.5332","","5.2575","","22.0935","","90","","112.626","","90","","2630.37","","298.15","","298.15","","","","","","","","flavonoids","4","P 1 21/a 1","-P 2yab","14","QUER-NICO","Quercetin-NIcotinamide cocrystal","","- C21 H16 N2 O8 -","- C84 H64 N8 O32 -","- C336 H256 N32 O128 -","4","1","","Vasisht, Karan; chadha, kunal; Karan, Maninder; Chadha, Renu; Bhalla, Yashika; Jena, Ashish","Enhancing biopharmaceutical parameters of bioflavonoid quercetin by cocrystallization.","CrystEngComm","2016","","","","","10.1039/C5CE01899D","powder diffraction","x-ray","1.5046","CuK/a~1~","","","","","","","","","","","","","","","","","has coordinates","206173","2020-10-21","18:00:00",""
"7223913","12.6465","","7.9602","","5.3536","","58.9404","","92.1712","","99.689","","454.322","","498.15","","498.15","","","","","","","","Flavonoids, plants and fruits","4","P 1","P 1","1","QUER-PICO","Querecetin Picolinic acid cocrystal","","- C21 H15 N O9 -","- C21 H15 N O9 -","- C21 H15 N O9 -","1","1","","Vasisht, Karan; chadha, kunal; Karan, Maninder; Chadha, Renu; Bhalla, Yashika; Jena, Ashish","Enhancing biopharmaceutical parameters of bioflavonoid quercetin by cocrystallization.","CrystEngComm","2016","","","","","10.1039/C5CE01899D","powder diffraction","x-ray","1.5046","CuKα","","","","","","","","","","","","","","","","","has coordinates","174556","2020-10-21","18:00:00",""
"7223914","14.7998","","11.2379","","10.3512","","90","","90","","90","","1721.6","","298.15","","298.15","","","","","","","","flavonoids, plants, fruits","3","P n 21 a","P -2ac -2n","33","Quercetin Dehydrate","2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one","","- C15 H10 O7 -","- C60 H40 O28 -","- C240 H160 O112 -","4","1","","Vasisht, Karan; chadha, kunal; Karan, Maninder; Chadha, Renu; Bhalla, Yashika; Jena, Ashish","Enhancing biopharmaceutical parameters of bioflavonoid quercetin by cocrystallization.","CrystEngComm","2016","","","","","10.1039/C5CE01899D","powder diffraction","x-ray","1.5046","CuK/a~1~","","","","","","","","","","","","","","","","","has coordinates","174556","2020-10-21","18:00:00",""
"7223915","8.2134","0.0016","16.974","0.003","19.396","0.006","90","","101.13","0.03","90","","2653.2","1.1","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C32 H42 Cu2 N20 O13 -","- C32 H42 Cu2 N20 O13 -","- C64 H84 Cu4 N40 O26 -","2","0.25","","Yu, Tiantian; Wang, Shimin; Li, Xuemin; Gao, Xiaoli; Zhou, Chunlin; Cheng, Jiajia; Li, Baojun; Li, Jinpeng; Chang, Junbiao; Hou, Hongwei; Liu, Zhongyi","Roles of temperature, solvent, M/L ratios and anion in preparing complexes containing a Himta ligand","CrystEngComm","2016","18","8","1350","","10.1039/C5CE02277K","","","0.71073","MoKα","","0.1526","0.0788","","","0.2186","0.2485","","","","","","0.986","","","","has coordinates","177756","2020-10-21","18:00:00",""
"7223916","4.8427","0.001","9.4938","0.0019","20.097","0.004","90","","92.37","0.03","90","","923.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Co N10 O4 -","- C16 H16 Co N10 O4 -","- C32 H32 Co2 N20 O8 -","2","0.5","","Yu, Tiantian; Wang, Shimin; Li, Xuemin; Gao, Xiaoli; Zhou, Chunlin; Cheng, Jiajia; Li, Baojun; Li, Jinpeng; Chang, Junbiao; Hou, Hongwei; Liu, Zhongyi","Roles of temperature, solvent, M/L ratios and anion in preparing complexes containing a Himta ligand","CrystEngComm","2016","18","8","1350","","10.1039/C5CE02277K","","","0.71073","MoKα","","0.0668","0.0563","","","0.1466","0.1544","","","","","","1.131","","","","has coordinates","177756","2020-10-21","18:00:00",""
"7223917","4.914","0.001","9.3923","0.0019","20.417","0.004","90","","92.66","0.03","90","","941.3","0.3","288","2","288","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Mn N10 O4 -","- C16 H16 Mn N10 O4 -","- C32 H32 Mn2 N20 O8 -","2","0.5","","Yu, Tiantian; Wang, Shimin; Li, Xuemin; Gao, Xiaoli; Zhou, Chunlin; Cheng, Jiajia; Li, Baojun; Li, Jinpeng; Chang, Junbiao; Hou, Hongwei; Liu, Zhongyi","Roles of temperature, solvent, M/L ratios and anion in preparing complexes containing a Himta ligand","CrystEngComm","2016","18","8","1350","","10.1039/C5CE02277K","","","0.71073","MoKα","","0.0768","0.0577","","","0.1021","0.11","","","","","","1.127","","","","has coordinates","177756","2020-10-21","18:00:00",""
"7223918","4.9534","0.001","9.1796","0.0018","20.865","0.004","90","","93.9","0.03","90","","946.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Cd N10 O4 -","- C16 H16 Cd N10 O4 -","- C32 H32 Cd2 N20 O8 -","2","0.5","","Yu, Tiantian; Wang, Shimin; Li, Xuemin; Gao, Xiaoli; Zhou, Chunlin; Cheng, Jiajia; Li, Baojun; Li, Jinpeng; Chang, Junbiao; Hou, Hongwei; Liu, Zhongyi","Roles of temperature, solvent, M/L ratios and anion in preparing complexes containing a Himta ligand","CrystEngComm","2016","18","8","1350","","10.1039/C5CE02277K","","","0.71073","MoKα","","0.0476","0.0365","","","0.066","0.0706","","","","","","1.135","","","","has coordinates","177756","2020-10-21","18:00:00",""
"7223919","10.487","0.002","23.35","0.005","8.3772","0.0017","90","","90","","90","","2051.3","0.7","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C16 H16 N10 O4 Pb -","- C16 H16 N10 O4 Pb -","- C64 H64 N40 O16 Pb4 -","4","0.5","","Yu, Tiantian; Wang, Shimin; Li, Xuemin; Gao, Xiaoli; Zhou, Chunlin; Cheng, Jiajia; Li, Baojun; Li, Jinpeng; Chang, Junbiao; Hou, Hongwei; Liu, Zhongyi","Roles of temperature, solvent, M/L ratios and anion in preparing complexes containing a Himta ligand","CrystEngComm","2016","18","8","1350","","10.1039/C5CE02277K","","","0.71073","MoKα","","0.0874","0.0508","","","0.0687","0.0794","","","","","","1.168","","","","has coordinates","177756","2020-10-21","18:00:00",""
"7223920","7.7702","0.0016","9.0412","0.0018","9.2461","0.0018","94.47","0.03","107.46","0.03","95.08","0.03","613.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H28 Co N10 O10 -","- C16 H28 Co N10 O10 -","- C16 H28 Co N10 O10 -","1","0.5","","Yu, Tiantian; Wang, Shimin; Li, Xuemin; Gao, Xiaoli; Zhou, Chunlin; Cheng, Jiajia; Li, Baojun; Li, Jinpeng; Chang, Junbiao; Hou, Hongwei; Liu, Zhongyi","Roles of temperature, solvent, M/L ratios and anion in preparing complexes containing a Himta ligand","CrystEngComm","2016","18","8","1350","","10.1039/C5CE02277K","","","0.71073","MoKα","","0.0422","0.037","","","0.0791","0.082","","","","","","1.056","","","","has coordinates","177756","2020-10-21","18:00:00",""
"7223921","7.8231","0.0016","9.0961","0.0018","9.2962","0.0019","94.66","0.03","107.53","0.03","95.54","0.03","623.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H28 Mn N10 O10 -","- C16 H28 Mn N10 O10 -","- C16 H28 Mn N10 O10 -","1","0.5","","Yu, Tiantian; Wang, Shimin; Li, Xuemin; Gao, Xiaoli; Zhou, Chunlin; Cheng, Jiajia; Li, Baojun; Li, Jinpeng; Chang, Junbiao; Hou, Hongwei; Liu, Zhongyi","Roles of temperature, solvent, M/L ratios and anion in preparing complexes containing a Himta ligand","CrystEngComm","2016","18","8","1350","","10.1039/C5CE02277K","","","0.71073","MoKα","","0.0455","0.0396","","","0.0892","0.0927","","","","","","1.099","","","","has coordinates","177756","2020-10-21","18:00:00",""
"7223922","7.7318","0.0015","8.9961","0.0018","9.1815","0.0018","94.4","0.03","107.22","0.03","95.01","0.03","604.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H28 N10 Ni O10 -","- C16 H28 N10 Ni O10 -","- C16 H28 N10 Ni O10 -","1","0.5","","Yu, Tiantian; Wang, Shimin; Li, Xuemin; Gao, Xiaoli; Zhou, Chunlin; Cheng, Jiajia; Li, Baojun; Li, Jinpeng; Chang, Junbiao; Hou, Hongwei; Liu, Zhongyi","Roles of temperature, solvent, M/L ratios and anion in preparing complexes containing a Himta ligand","CrystEngComm","2016","18","8","1350","","10.1039/C5CE02277K","","","0.71073","MoKα","","0.0595","0.0486","","","0.1042","0.1105","","","","","","1.086","","","","has coordinates","177756","2020-10-21","18:00:00",""
"7223923","7.7881","0.0016","9.038","0.0018","9.1899","0.0018","94.47","0.03","107.49","0.03","95.27","0.03","610.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H28 N10 O10 Zn -","- C16 H28 N10 O10 Zn -","- C16 H28 N10 O10 Zn -","1","0.5","","Yu, Tiantian; Wang, Shimin; Li, Xuemin; Gao, Xiaoli; Zhou, Chunlin; Cheng, Jiajia; Li, Baojun; Li, Jinpeng; Chang, Junbiao; Hou, Hongwei; Liu, Zhongyi","Roles of temperature, solvent, M/L ratios and anion in preparing complexes containing a Himta ligand","CrystEngComm","2016","18","8","1350","","10.1039/C5CE02277K","","","0.71073","MoKα","","0.0484","0.041","","","0.0803","0.084","","","","","","1.064","","","","has coordinates","177756","2020-10-21","18:00:00",""
"7223924","30.8851","0.0018","17.4665","0.001","20.3272","0.0014","90","","127.705","0.006","90","","8675.7","1.2","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H46 N14 O14 Zn2 -","- C62 H46 N14 O14 Zn2 -","- C248 H184 N56 O56 Zn8 -","4","0.5","","Zhang, Le; Feng, Xue Feng; Meng, Pan Pan; Gong, Le Le; Luo, Feng","Thermodynamically stable MOF showing a highly rare four-connectedhxg-d-4-Cccmnet with self-penetration, polyrotaxane, and polycatenane multi-features","CrystEngComm","2016","18","10","1693","","10.1039/C5CE02413G","","","0.71073","MoKα","","0.1326","0.1108","","","0.2973","0.3102","","","","","","1.105","","","","has coordinates","177749","2020-10-21","18:00:00",""
"7223925","10.882","0.003","11.386","0.003","20.627","0.005","100.75","0.02","103.307","0.016","103.024","0.018","2345.3","1.1","148","2","148","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H21 N7 O6 Zn -","- C31 H21 N7 O6 Zn -","- C62 H42 N14 O12 Zn2 -","2","1","","Zhang, Le; Feng, Xue Feng; Meng, Pan Pan; Gong, Le Le; Luo, Feng","Thermodynamically stable MOF showing a highly rare four-connectedhxg-d-4-Cccmnet with self-penetration, polyrotaxane, and polycatenane multi-features","CrystEngComm","2016","18","10","1693","","10.1039/C5CE02413G","","","0.71073","MoKα","","0.1348","0.0806","","","0.2046","0.2256","","","","","","0.912","","","","has coordinates","177749","2020-10-21","18:00:00",""
"7223926","9.672","0.0009","13.729","0.001","13.997","0.001","94.881","0.004","102.916","0.003","101.498","0.003","1758.8","0.2","183.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H28 Cu2 Dy N5 O20 -","- C28 H28 Cu2 Dy N5 O20 -","- C56 H56 Cu4 Dy2 N10 O40 -","2","1","","Gawai, U. P.; Khawal, H. A.; Shripathi, T.; Dole, B. N.","A study on the synthesis, pair distribution function and diverse properties of cobalt doped ZnS nanowires","CrystEngComm","2016","18","8","1439","","10.1039/C5CE02253C","","","0.7107","MoKα","","","0.0321","","","","0.0957","","","","","","1.001","","","","has coordinates","177758","2020-10-21","18:00:00",""
"7223939","5.779","0.002","6.031","0.002","12.318","0.004","90","","90","","90","","429.3","0.2","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-alanine","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Tsuboi, Chiaki; Aburaya, Kazuaki; Kimura, Fumiko; Maeyama, Masataka; Kimura, Tsunehisa","Single-crystal structure determination from microcrystalline powders (σim 5 μm) by an orientation attachment mountable on an in-house X-ray diffractometer","CrystEngComm","2016","18","14","2404","","10.1039/C5CE02307F","","","0.71075","MoKα","","0.045","0.0421","","","0.0977","0.1012","","","","","","1.106","","","","has coordinates","181620","2020-10-21","18:00:00",""
"7223940","5.7772","0.0015","6.035","0.0017","12.316","0.003","90","","90","","90","","429.4","0.19","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-alanine","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Tsuboi, Chiaki; Aburaya, Kazuaki; Kimura, Fumiko; Maeyama, Masataka; Kimura, Tsunehisa","Single-crystal structure determination from microcrystalline powders (σim 5 μm) by an orientation attachment mountable on an in-house X-ray diffractometer","CrystEngComm","2016","18","14","2404","","10.1039/C5CE02307F","","","0.71075","MoKα","","0.1246","0.0991","","","0.2703","0.3083","","","","","","1.06","","","","has coordinates","181620","2020-10-21","18:00:00",""
"7223958","11.9726","0.0005","9.2769","0.0004","11.5812","0.0005","90","","112.372","0.002","90","","1189.49","0.09","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","iodopentafluorobenzene and pyridine (1:1)","","- C11 H5 F5 I N -","- C11 H5 F5 I N -","- C44 H20 F20 I4 N4 -","4","1","","Vasylyeva, Vera; Catalano, Luca; Nervi, Carlo; Gobetto, Roberto; Metrangolo, Pierangelo; Resnati, Giuseppe","Characteristic redshift and intensity enhancement as far-IR fingerprints of the halogen bond involving aromatic donors","CrystEngComm","2016","18","13","2247","","10.1039/C5CE02385H","","","0.71073","MoKα","","0.0224","0.0204","","","0.0443","0.0457","","","","","","1.14","","","","has coordinates","181589","2020-10-21","18:00:00",""
"7223959","8.0031","0.0004","12.031","0.0006","13.4501","0.0006","90","","100.731","0.002","90","","1272.4","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","iodopentafluorobenzene 3-methylpyridine","iodopentafluorobenzene and 3-methylpyridine (1:1)","","- C12 H7 F5 I N -","- C12 H7 F5 I N -","- C48 H28 F20 I4 N4 -","4","1","","Vasylyeva, Vera; Catalano, Luca; Nervi, Carlo; Gobetto, Roberto; Metrangolo, Pierangelo; Resnati, Giuseppe","Characteristic redshift and intensity enhancement as far-IR fingerprints of the halogen bond involving aromatic donors","CrystEngComm","2016","18","13","2247","","10.1039/C5CE02385H","","","0.71073","MoKα","","0.0174","0.0148","","","0.0353","0.0363","","","","","","1.022","","","","has coordinates","181589","2020-10-21","18:00:00",""
"7223960","8.8544","0.0004","9.3356","0.0004","14.0154","0.0006","90","","101.478","0.001","90","","1135.36","0.09","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bromopentafluorobenzene pyridine","bromopentafluorobenzene and pyridine (1:1)","","- C11 H5 Br F5 N -","- C11 H5 Br F5 N -","- C44 H20 Br4 F20 N4 -","4","1","","Vasylyeva, Vera; Catalano, Luca; Nervi, Carlo; Gobetto, Roberto; Metrangolo, Pierangelo; Resnati, Giuseppe","Characteristic redshift and intensity enhancement as far-IR fingerprints of the halogen bond involving aromatic donors","CrystEngComm","2016","18","13","2247","","10.1039/C5CE02385H","","","0.71073","MoKα","","0.0199","0.0183","","","0.0481","0.0487","","","","","","1.07","","","","has coordinates","181589","2020-10-21","18:00:00",""
"7223961","11.7434","0.0007","5.8599","0.0003","16.7329","0.001","90","","99.173","0.002","90","","1136.75","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","iodopentafluorobenzene tetramethylethylenediamine","iodopentafluorobenzene and TMEDA (1:1)","","- C9 H8 F5 I N -","- C9 H8 F5 I N -","- C36 H32 F20 I4 N4 -","4","1","","Vasylyeva, Vera; Catalano, Luca; Nervi, Carlo; Gobetto, Roberto; Metrangolo, Pierangelo; Resnati, Giuseppe","Characteristic redshift and intensity enhancement as far-IR fingerprints of the halogen bond involving aromatic donors","CrystEngComm","2016","18","13","2247","","10.1039/C5CE02385H","","","0.71073","MoKα","","0.0189","0.0178","","","0.0379","0.0384","","","","","","1.175","","","","has coordinates","181589","2020-10-21","18:00:00",""
"7223962","6.5585","0.0012","7.047","0.0013","38.869","0.007","90","","90","","90","","1796.4","0.6","296","2","296","2","","","","","","","Biotogether","6","P 21 21 21","P 2ac 2ab","19","cAMPNa ; CYCLIC AMP SODIUM SALT;3',5'-CYCLIC AMP SODIUM SALT","ADENOSINE-3',5'-CYCLIC PHOSPHATE SODIUM","","- C10 H21 N5 Na O11 P -","- C10 H21 N5 Na O11 P -","- C40 H84 N20 Na4 O44 P4 -","4","1","","Yang, Pengpeng; Lin, Chenguang; Zhuang, Wei; Wen, Qingshi; Zou, Fengxia; Zhou, Jingwei; Wu, Jinglan; Ying, Hanjie","Insight into a direct solid‒solid transformation: a potential approach for the removal of residual solvents","CrystEngComm","2016","18","10","1699","","10.1039/C6CE00034G","","","0.71073","MoKα","","0.0516","0.0499","","","0.1381","0.1397","","","","","","1.098","","","","has coordinates","177741","2020-10-21","18:00:00",""
"7223963","6.5021","0.001","7.0943","0.0011","39.198","0.006","90","","90","","90","","1808.1","0.5","296","2","296","2","","","","","","","nucleic acid degradation product","6","P 21 21 21","P 2ac 2ab","19","ADENOSINE-3',5'-CYCLIC PHOSPHATE SODIUM","ADENOSINE-3',5'-CYCLIC PHOSPHATE SODIUM","","- C11 H21 N5 Na O10 P -","- C11 H21 N5 Na O10 P -","- C44 H84 N20 Na4 O40 P4 -","4","1","","Yang, Pengpeng; Lin, Chenguang; Zhuang, Wei; Wen, Qingshi; Zou, Fengxia; Zhou, Jingwei; Wu, Jinglan; Ying, Hanjie","Insight into a direct solid‒solid transformation: a potential approach for the removal of residual solvents","CrystEngComm","2016","18","10","1699","","10.1039/C6CE00034G","","","0.71073","MoKα","","0.0505","0.048","","","0.1266","0.1279","","","","","","1.16","","","","has coordinates","177741","2020-10-21","18:00:00",""
"7223964","13.314","0.0011","9.7055","0.0008","7.0691","0.0009","90","","90","","90","","913.46","0.16","300","2","300","2","","","","","","","","4","P n n m","-P 2 2n","58","uranyl acrylate","","","- C6 H6 O6 U -","- C6 H6 O6 U -","- C24 H24 O24 U4 -","4","0.5","","Klepov, Vladislav V.; Vologzhanina, Anna V.; Alekseev, Evgeny V.; Pushkin, Denis V.; Serezhkina, Larisa B.; Sergeeva, Olga A.; Knyazev, Aleksandr V.; Serezhkin, Viktor N.","Structural diversity of uranyl acrylates","CrystEngComm","2016","18","10","1723","","10.1039/C5CE01957E","","","0.71073","MoKα","","0.049","0.032","","","0.0686","0.0788","","","","","","1.047","","","","has coordinates","177744","2020-10-21","18:00:00",""
"7223965","19.5621","0.0008","19.5621","0.0008","8.7321","0.0009","90","","90","","120","","2893.9","0.3","295","2","295","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C6 H10.44 O8.22 U -","- C6 H10 O8.22333 U -","- C54 H90 O74.01 U9 -","9","0.5","","Klepov, Vladislav V.; Vologzhanina, Anna V.; Alekseev, Evgeny V.; Pushkin, Denis V.; Serezhkina, Larisa B.; Sergeeva, Olga A.; Knyazev, Aleksandr V.; Serezhkin, Viktor N.","Structural diversity of uranyl acrylates","CrystEngComm","2016","18","10","1723","","10.1039/C5CE01957E","","","0.71073","MoKα","","0.0467","0.0418","","","0.0951","0.1002","","","","","","1.065","","","","has coordinates","177744","2020-10-21","18:00:00",""
"7223966","11.6745","0.0018","12.4709","0.0004","16.003","0.002","90","","148.27","0.04","90","","1225.3","1.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 O9 U -","- C6 H12 O9 U -","- C24 H48 O36 U4 -","4","1","","Klepov, Vladislav V.; Vologzhanina, Anna V.; Alekseev, Evgeny V.; Pushkin, Denis V.; Serezhkina, Larisa B.; Sergeeva, Olga A.; Knyazev, Aleksandr V.; Serezhkin, Viktor N.","Structural diversity of uranyl acrylates","CrystEngComm","2016","18","10","1723","","10.1039/C5CE01957E","","","0.71073","MoKα","","0.051","0.0353","","","0.0686","0.0773","","","","","","1.055","","","","has coordinates,has disorder","177744","2020-10-21","18:00:00",""
"7223967","10.7059","0.001","7.7322","0.0007","13.5945","0.0012","90","","107.093","0.002","90","","1075.65","0.17","150","2","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Bis(acrylato-O,O')(diaqua)(dioxo)uranium(vi)","","","- C6 H10 O8 U -","- C6 H10 O8 U -","- C24 H40 O32 U4 -","4","1","","Klepov, Vladislav V.; Vologzhanina, Anna V.; Alekseev, Evgeny V.; Pushkin, Denis V.; Serezhkina, Larisa B.; Sergeeva, Olga A.; Knyazev, Aleksandr V.; Serezhkin, Viktor N.","Structural diversity of uranyl acrylates","CrystEngComm","2016","18","10","1723","","10.1039/C5CE01957E","","","0.71073","MoKα","","0.0763","0.0226","","","0.0548","0.0855","","","","","","0.997","","","","has coordinates","177744","2020-10-21","18:00:00",""
"7223968","10.724","0.006","7.721","0.004","6.897","0.004","90","","107.246","0.009","90","","545.4","0.5","250","","250","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C6 H10 O8 U -","- C6 H10 O8 U -","- C12 H20 O16 U2 -","2","0.25","","Klepov, Vladislav V.; Vologzhanina, Anna V.; Alekseev, Evgeny V.; Pushkin, Denis V.; Serezhkina, Larisa B.; Sergeeva, Olga A.; Knyazev, Aleksandr V.; Serezhkin, Viktor N.","Structural diversity of uranyl acrylates","CrystEngComm","2016","18","10","1723","","10.1039/C5CE01957E","","","0.71073","MoKα","","0.0223","0.0223","","","0.0504","0.0504","","","","","","1.072","","","","has coordinates","177744","2020-10-21","18:00:00",""
"7223969","10.097","0.0009","12.8101","0.0011","10.9229","0.0011","90","","102.581","0.002","90","","1378.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H13 N5 O5 Zn -","- C11 H3 N5 O5 Zn -","- C44 H12 N20 O20 Zn4 -","4","1","","Gao, Wei; Li, Peng; Liu, Feng; Zhang, Xiu-Mei; Liu, Jie-Ping","Four metal‒organic frameworks based on the 5-(1H-tetrazol-5-yl)isophthalic acid ligand: luminescence and magnetic properties","CrystEngComm","2016","18","9","1523","","10.1039/C5CE02096D","","","1.54178","CuKα","","0.1359","0.0793","","","0.1628","0.2196","","","","","","1.044","","","","has coordinates","177764","2020-10-21","18:00:00",""
"7223970","10.4622","0.0009","7.187","0.0006","13.4544","0.0012","90","","112.694","0.002","90","","933.34","0.14","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C12 H16 Cd2 N5 O8.5 -","- C9 H3 Cd2 N4 O7.5 -","- C18 H6 Cd4 N8 O15 -","2","0.5","","Gao, Wei; Li, Peng; Liu, Feng; Zhang, Xiu-Mei; Liu, Jie-Ping","Four metal‒organic frameworks based on the 5-(1H-tetrazol-5-yl)isophthalic acid ligand: luminescence and magnetic properties","CrystEngComm","2016","18","9","1523","","10.1039/C5CE02096D","","","1.54178","CuKα","","0.0882","0.0642","","","0.1667","0.1811","","","","","","1.056","","","","has coordinates,has disorder","177764","2020-10-21","18:00:00",""
"7223971","19.571","0.002","11.0278","0.0009","13.2983","0.0012","90","","124.084","0.001","90","","2377.1","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C9 H7 Mn N4 Na O6 -","- C9 H7 Mn N4 Na O6 -","- C72 H56 Mn8 N32 Na8 O48 -","8","1","","Gao, Wei; Li, Peng; Liu, Feng; Zhang, Xiu-Mei; Liu, Jie-Ping","Four metal‒organic frameworks based on the 5-(1H-tetrazol-5-yl)isophthalic acid ligand: luminescence and magnetic properties","CrystEngComm","2016","18","9","1523","","10.1039/C5CE02096D","","","1.54178","CuKα","","0.1245","0.0657","","","0.1264","0.155","","","","","","1.065","","","","has coordinates","177764","2020-10-21","18:00:00",""
"7223972","7.3088","0.0008","10.1375","0.001","12.0815","0.0014","78.884","0.004","77.512","0.003","78.615","0.004","846.18","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H38 Mn3 N8 O24 -","- C18 H30 Mn3 N8 O24 -","- C18 H30 Mn3 N8 O24 -","1","0.5","","Gao, Wei; Li, Peng; Liu, Feng; Zhang, Xiu-Mei; Liu, Jie-Ping","Four metal‒organic frameworks based on the 5-(1H-tetrazol-5-yl)isophthalic acid ligand: luminescence and magnetic properties","CrystEngComm","2016","18","9","1523","","10.1039/C5CE02096D","","","0.71073","MoKα","","0.0753","0.0705","","","0.1956","0.1982","","","","","","1.072","","","","has coordinates","177764","2020-10-21","18:00:00",""
"7223973","24.029","0.001","10.9805","0.0005","24.3497","0.001","90","","90","","90","","6424.7","0.5","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sildenafil Citrate (Viagra)","1-{[3-(6,7-Dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-ethoxyphenyl]sulfonyl}-4-methylpiperaziniumcitrate semihydrate","","- C28 H39 N6 O11.5 S -","- C28 H39 N6 O11.5 S -","- C224 H312 N48 O92 S8 -","8","1","","Abraham, Anuji; Apperley, David C.; Byard, Stephen J.; Ilott, Andrew J.; Robbins, Andrew J.; Zorin, Vadim; Harris, Robin K.; Hodgkinson, Paul","Characterising the role of water in sildenafil citrate by NMR crystallography","CrystEngComm","2016","18","6","1054","","10.1039/C5CE02234G","","","0.71073","Mo-Kα","","0.1071","0.0524","","","0.1263","0.1632","","","","","","0.991","","","","has coordinates","175962","2020-10-21","18:00:00",""
"7223974","9.3387","0.0002","13.9027","0.0004","16.555","0.0005","90","","90","","90","","2149.39","0.1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Diltiazem","","","- C22 H26 N2 O4 S -","- C22 H26 N2 O4 S -","- C88 H104 N8 O16 S4 -","4","1","","Stepanovs, D.; Jure, M.; Gosteva, M.; Popelis, J.; Kiselovs, G.; Mishnev, A.","Crystal structures and physicochemical properties of diltiazem base and its acetylsalicylate, nicotinate andl-malate salts","CrystEngComm","2016","18","7","1235","","10.1039/C5CE01204J","","","0.71073","MoKα","","0.1146","0.0638","","","0.0981","0.113","","","","","","1.014","","","","has coordinates","177735","2020-10-21","18:00:00",""
"7223975","9.9411","0.0004","10.7606","0.0003","28.5926","0.0011","90","","90","","90","","3058.61","0.19","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Dilteazem acetylsalicylate hydrate","","","- C31 H36 N2 O9 S -","- C31 H36 N2 O9 S -","- C124 H144 N8 O36 S4 -","4","1","","Stepanovs, D.; Jure, M.; Gosteva, M.; Popelis, J.; Kiselovs, G.; Mishnev, A.","Crystal structures and physicochemical properties of diltiazem base and its acetylsalicylate, nicotinate andl-malate salts","CrystEngComm","2016","18","7","1235","","10.1039/C5CE01204J","","","0.71073","MoKα","","0.2268","0.0984","","","0.1185","0.1501","","","","","","1.077","","","","has coordinates","177735","2020-10-21","18:00:00",""
"7223976","8.7897","0.0002","6.1726","0.0001","25.1531","0.0007","90","","91.5255","0.0011","90","","1364.21","0.05","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","Diltiazem nicotinate","","","- C28 H31 N3 O6 S -","- C28 H31 N3 O6 S -","- C56 H62 N6 O12 S2 -","2","1","","Stepanovs, D.; Jure, M.; Gosteva, M.; Popelis, J.; Kiselovs, G.; Mishnev, A.","Crystal structures and physicochemical properties of diltiazem base and its acetylsalicylate, nicotinate andl-malate salts","CrystEngComm","2016","18","7","1235","","10.1039/C5CE01204J","","","0.71073","MoKα","","0.115","0.0642","","","0.1017","0.1187","","","","","","1.045","","","","has coordinates","177735","2020-10-21","18:00:00",""
"7223977","5.8962","0.0001","9.032","0.0002","50.5074","0.001","90","","90","","90","","2689.75","0.09","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Diltiazem L-Malate","","","- C26 H32 N2 O9 S -","- C26 H32 N2 O9 S -","- C104 H128 N8 O36 S4 -","4","1","","Stepanovs, D.; Jure, M.; Gosteva, M.; Popelis, J.; Kiselovs, G.; Mishnev, A.","Crystal structures and physicochemical properties of diltiazem base and its acetylsalicylate, nicotinate andl-malate salts","CrystEngComm","2016","18","7","1235","","10.1039/C5CE01204J","","","0.71073","MoKα","","0.1467","0.0637","","","0.1021","0.1238","","","","","","0.999","","","","has coordinates","177735","2020-10-21","18:00:00",""
"7223978","36.4984","0.0017","36.4984","0.0017","10.5148","0.0004","90","","90","","120","","12130.5","0.9","123","2","123","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C63.4 H52.8 N4 O2 Sn -","- C63.4 H52.8 N4 O2 Sn -","- C570.6 H475.2 N36 O18 Sn9 -","9","0.5","","Wang, S.; Knowles, G. P.; Chaffee, A. L.; Langford, S. J.","Selective CO2uptake and vapor adsorption study within Sn(iv) porphyrin crystals","CrystEngComm","2016","18","9","1515","","10.1039/C5CE02170G","","","0.71073","MoKα","","0.0539","0.0387","","","0.1236","0.1456","","","","","","1.09","","","","has coordinates","201369","2020-10-21","18:00:00",""
"7223979","36.626","0.002","36.626","0.002","10.4295","0.0008","90","","90","","120","","12116.4","1.3","123","2","123","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C60 H44 Br2 N4 O2 Sn -","- C60 H44 Br2 N4 O2 Sn -","- C540 H396 Br18 N36 O18 Sn9 -","9","0.5","","Wang, S.; Knowles, G. P.; Chaffee, A. L.; Langford, S. J.","Selective CO2uptake and vapor adsorption study within Sn(iv) porphyrin crystals","CrystEngComm","2016","18","9","1515","","10.1039/C5CE02170G","","","0.71073","MoKα","","0.0753","0.0463","","","0.1348","0.1663","","","","","","1.126","","","","has coordinates","177766","2020-10-21","18:00:00",""
"7223980","37.09","0.002","37.09","0.002","10.1013","0.0006","90","","90","","120","","12034.3","1.2","123","2","123","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C60 H44 N6 O6 Sn -","- C60 H44 N6 O6 Sn -","- C540 H396 N54 O54 Sn9 -","9","0.5","","Wang, S.; Knowles, G. P.; Chaffee, A. L.; Langford, S. J.","Selective CO2uptake and vapor adsorption study within Sn(iv) porphyrin crystals","CrystEngComm","2016","18","9","1515","","10.1039/C5CE02170G","","","0.71073","MoKα","","0.1133","0.0711","","","0.2089","0.2417","","","","","","1.458","","","","has coordinates,has disorder","177766","2020-10-21","18:00:00",""
"7223981","24.811","0.001","24.811","0.001","21.455","0.002","90","","90","","120","","11437.9","1.2","150","2","150.15","","","","","","","","","5","R 3 2","R 3 2""","155","","","","- C72 H43 Co3 N6 O13 -","- C72 H43 Co3 N6 O13 -","- C432 H258 Co18 N36 O78 -","6","","","Shen, Jian-Qiang; Wei, Yong-Sheng; Liao, Pei-Qin; Lin, Rui-Biao; Zhou, Dong-Dong; Zhang, Jie-Peng; Chen, Xiao-Ming","Unique (3,9)-connected porous coordination polymers constructed by tripodal ligands with bent arms","CrystEngComm","2016","18","22","4115","","10.1039/C5CE02487K","","","0.71073","MoKα","","0.0571","0.038","","","0.0826","0.0914","","","","","","1.052","","","","has coordinates","185174","2020-10-21","18:00:00",""
"7223982","20.186","0.001","20.186","0.001","20.2891","0.0008","90","","90","","120","","7159.7","0.6","150","2","150.15","","","","","","","","","5","R 3","R 3","146","","","","- C72 H43 Co3 N6 O13 -","- C72 H43 Co3 N6 O13 -","- C216 H129 Co9 N18 O39 -","3","","","Shen, Jian-Qiang; Wei, Yong-Sheng; Liao, Pei-Qin; Lin, Rui-Biao; Zhou, Dong-Dong; Zhang, Jie-Peng; Chen, Xiao-Ming","Unique (3,9)-connected porous coordination polymers constructed by tripodal ligands with bent arms","CrystEngComm","2016","18","22","4115","","10.1039/C5CE02487K","","","0.71073","MoKα","","0.0535","0.0502","","","0.1258","0.1282","","","","","","1.059","","","","has coordinates","185174","2020-10-21","18:00:00",""
"7223983","27.3444","0.0008","27.3444","0.0008","71.115","0.002","90","","90","","120","","46050","2","150","2","150.15","","","","","","","","","5","R -3 c","-R 3 2""c","167","","","","- C72 H43 Co3 N30 O -","- C72 H43 Co3 N30 O -","- C864 H516 Co36 N360 O12 -","12","","","Shen, Jian-Qiang; Wei, Yong-Sheng; Liao, Pei-Qin; Lin, Rui-Biao; Zhou, Dong-Dong; Zhang, Jie-Peng; Chen, Xiao-Ming","Unique (3,9)-connected porous coordination polymers constructed by tripodal ligands with bent arms","CrystEngComm","2016","18","22","4115","","10.1039/C5CE02487K","","","0.71073","MoKα","","0.1062","0.0727","","","0.2478","0.2902","","","","","","1.031","","","","has coordinates,has disorder","185174","2020-10-21","18:00:00",""
"7224001","14.0134","0.0007","14.8016","0.0007","15.2457","0.0006","105.689","0.005","113.922","0.004","103.178","0.005","2570","0.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C94 H90 Mn8 N8 O28 -","- C94 H90 Mn8 N8 O28 -","- C94 H90 Mn8 N8 O28 -","1","0.5","","Yang, Fei; Deng, Yong-Kai; Guo, Ling-Yu; Su, Hai-Feng; Jagličić, Zvonko; Feng, Zhen-Yu; Zhuang, Gui-Lin; Zeng, Su-Yuan; Sun, Di","Structural, electrochemical and magnetic analyses of a new octanuclear MnIII2MnII6cluster with linked-defect cubane topology","CrystEngComm","2016","18","8","1329","","10.1039/C5CE02215K","","","1.54178","CuKα","","0.0935","0.0534","","","0.1121","0.1249","","","","","","0.888","","","","has coordinates","177753","2020-10-21","18:00:00",""
"7224002","8.127","0.003","15.764","0.011","8.041","0.003","90","","111.816","0.009","90","","956.4","0.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","CuClTAA3BP","","","- C7 H9 Cl Cu N2 S -","- C7 H9 Cl Cu N2 S -","- C28 H36 Cl4 Cu4 N8 S4 -","4","1","","Troyano, Javier; Perles, Josefina; Amo-Ochoa, Pilar; Zamora, Félix; Delgado, Salomé","Strong luminescent copper(i) halide coordination polymers and dinuclear complexes with thioacetamide and N,N′-donor ligands","CrystEngComm","2016","18","10","1809","","10.1039/C5CE02264A","","","0.71073","","","0.0362","0.0264","","","0.0627","0.0674","","","","","","1","","","","has coordinates","177745","2020-10-21","18:00:00",""
"7224003","8.8605","0.0002","9.6615","0.0002","11.7506","0.0002","66.423","0.001","82.85","0.001","78.316","0.001","901.79","0.03","296","2","296","2","","","","","","","","6","P -1","-P 1","2","CuClTAA/44bp","","","- C14 H18 Cl Cu N4 S2 -","- C14 H18 Cl Cu N4 S2 -","- C28 H36 Cl2 Cu2 N8 S4 -","2","1","","Troyano, Javier; Perles, Josefina; Amo-Ochoa, Pilar; Zamora, Félix; Delgado, Salomé","Strong luminescent copper(i) halide coordination polymers and dinuclear complexes with thioacetamide and N,N′-donor ligands","CrystEngComm","2016","18","10","1809","","10.1039/C5CE02264A","","","0.71073","","","0.0351","0.0272","","","0.0886","0.1089","","","","","","1.006","","","","has coordinates","177745","2020-10-21","18:00:00",""
"7224004","21.7441","0.0008","9.8378","0.0005","16.9298","0.0008","90","","90.766","0.002","90","","3621.2","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","CuBrbp","","","- C14 H18 Br Cu N4 S2 -","- C14 H18 Br Cu N4 S2 -","- C112 H144 Br8 Cu8 N32 S16 -","8","1","","Troyano, Javier; Perles, Josefina; Amo-Ochoa, Pilar; Zamora, Félix; Delgado, Salomé","Strong luminescent copper(i) halide coordination polymers and dinuclear complexes with thioacetamide and N,N′-donor ligands","CrystEngComm","2016","18","10","1809","","10.1039/C5CE02264A","","","0.71073","","","0.0415","0.0251","","","0.0691","0.0886","","","","","","1","","","","has coordinates","177745","2020-10-21","18:00:00",""
"7224005","21.91","0.003","9.9443","0.0015","16.891","0.003","90","","90.414","0.007","90","","3680.1","1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","CuITAbp","","","- C28 H36 Cu2 I2 N8 S4 -","- C28 H36 Cu2 I2 N8 S4 -","- C112 H144 Cu8 I8 N32 S16 -","4","0.5","","Troyano, Javier; Perles, Josefina; Amo-Ochoa, Pilar; Zamora, Félix; Delgado, Salomé","Strong luminescent copper(i) halide coordination polymers and dinuclear complexes with thioacetamide and N,N′-donor ligands","CrystEngComm","2016","18","10","1809","","10.1039/C5CE02264A","","","0.71073","","","0.0224","0.0184","","","0.0582","0.0703","","","","","","1.001","","","","has coordinates","177745","2020-10-21","18:00:00",""
"7224006","7.9771","0.0001","10.673","0.0001","8.921","0.0001","90","","97.182","0.001","90","","753.571","0.015","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","CuClpyz","","","- C4 H7 Cl Cu N2 S -","- C4 H7 Cl Cu N2 S -","- C16 H28 Cl4 Cu4 N8 S4 -","4","1","","Troyano, Javier; Perles, Josefina; Amo-Ochoa, Pilar; Zamora, Félix; Delgado, Salomé","Strong luminescent copper(i) halide coordination polymers and dinuclear complexes with thioacetamide and N,N′-donor ligands","CrystEngComm","2016","18","10","1809","","10.1039/C5CE02264A","","","0.71073","","","0.0197","0.0187","","","0.052","0.0527","","","","","","1","","","","has coordinates","177745","2020-10-21","18:00:00",""
"7224007","7.4292","0.0002","8.0762","0.0002","9.614","0.0002","107.059","0.001","90.971","0.001","110.972","0.001","510.1","0.02","296","2","296","2","","","","","","","","6","P -1","-P 1","2","JA315b","","","- C4 H10 Cu I N2 S2 -","- C4 H10 Cu I N2 S2 -","- C8 H20 Cu2 I2 N4 S4 -","2","1","","Troyano, Javier; Perles, Josefina; Amo-Ochoa, Pilar; Zamora, Félix; Delgado, Salomé","Strong luminescent copper(i) halide coordination polymers and dinuclear complexes with thioacetamide and N,N′-donor ligands","CrystEngComm","2016","18","10","1809","","10.1039/C5CE02264A","","","0.71073","","","0.0221","0.0199","","","0.0503","0.0516","","","","","","1.004","","","","has coordinates","177745","2020-10-21","18:00:00",""
"7224008","13.8935","0.0005","14.0662","0.0008","18.2195","0.0011","108.577","0.002","110.263","0.003","97.592","0.003","3046.3","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C53 H42 N8 Ni O21 S3 U2 -","- C53 H40 N8 Ni O20.9999 S3 U2 -","- C106 H80 N16 Ni2 O41.9998 S6 U4 -","2","1","","Thuéry, Pierre; Harrowfield, Jack","Counter-ion control of structure in uranyl ion complexes with 2,5-thiophenedicarboxylate","CrystEngComm","2016","18","9","1550","","10.1039/C5CE02294K","","","0.71073","MoKα","","0.0511","0.0333","","","0.0881","0.0934","","","","","","1.056","","","","has coordinates","177763","2020-10-21","18:00:00",""
"7224009","10.8016","0.0004","20.409","0.0008","12.8547","0.0005","90","","105.973","0.002","90","","2724.41","0.18","150","2","150","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C38 H56 Cl Co N8 O26 S4 U2 -","- C38 H50 Cl Co N8 O26 S4 U2 -","- C76 H100 Cl2 Co2 N16 O52 S8 U4 -","2","1","","Thuéry, Pierre; Harrowfield, Jack","Counter-ion control of structure in uranyl ion complexes with 2,5-thiophenedicarboxylate","CrystEngComm","2016","18","9","1550","","10.1039/C5CE02294K","","","0.71073","MoKα","","0.0386","0.0338","","","0.1163","0.1194","","","","","","1.071","","","","has coordinates","177763","2020-10-21","18:00:00",""
"7224010","13.7311","0.0008","15.5105","0.0009","17.8862","0.0009","68.574","0.003","70.094","0.003","76.948","0.003","3311.7","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C128 H96 Fe2 N18 O44 S6 U5 -","- C128 H96 Fe2 N18 O44 S6 U5 -","- C128 H96 Fe2 N18 O44 S6 U5 -","1","0.5","","Thuéry, Pierre; Harrowfield, Jack","Counter-ion control of structure in uranyl ion complexes with 2,5-thiophenedicarboxylate","CrystEngComm","2016","18","9","1550","","10.1039/C5CE02294K","","","0.71073","MoKα","","0.0648","0.0519","","","0.1371","0.1436","","","","","","1.027","","","","has coordinates","177763","2020-10-21","18:00:00",""
"7224011","13.7804","0.0003","15.5944","0.0003","18.0932","0.0004","67.6388","0.0009","69.388","0.0009","76.7394","0.0011","3345.09","0.13","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C123 H87 N17 Ni2 O43 S6 U5 -","- C123 H87 N17 Ni2 O43 S6 U5 -","- C123 H87 N17 Ni2 O43 S6 U5 -","1","0.5","","Thuéry, Pierre; Harrowfield, Jack","Counter-ion control of structure in uranyl ion complexes with 2,5-thiophenedicarboxylate","CrystEngComm","2016","18","9","1550","","10.1039/C5CE02294K","","","0.71073","MoKα","","0.0746","0.0685","","","0.1862","0.1898","","","","","","1.096","","","","has coordinates","177763","2020-10-21","18:00:00",""
"7224012","26.1007","0.0003","26.1007","0.0003","6.695","0.0002","90","","90","","90","","4560.95","0.16","150","2","150","2","","","","","","","","7","P 42/n m c","-P 4ac 2a","137","","","","- C30 H26 Ag2 N6 O17 S3 U2 -","- C30 H24 Ag2 N6 O17 S3 U2 -","- C120 H96 Ag8 N24 O68 S12 U8 -","4","","","Thuéry, Pierre; Harrowfield, Jack","Counter-ion control of structure in uranyl ion complexes with 2,5-thiophenedicarboxylate","CrystEngComm","2016","18","9","1550","","10.1039/C5CE02294K","","","0.71073","MoKα","","0.0462","0.0393","","","0.0993","0.1023","","","","","","1.073","","","","has coordinates,has disorder","177763","2020-10-21","18:00:00",""
"7224013","18.4849","0.0002","26.8834","0.0006","31.5917","0.0008","90","","90","","90","","15699.1","0.6","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C136 H104 Ag5 N21 O41 S6 U4 -","- C136 H96 Ag5 N21 O41 S6 U4 -","- C544 H384 Ag20 N84 O164 S24 U16 -","4","1","","Thuéry, Pierre; Harrowfield, Jack","Counter-ion control of structure in uranyl ion complexes with 2,5-thiophenedicarboxylate","CrystEngComm","2016","18","9","1550","","10.1039/C5CE02294K","","","0.71073","MoKα","","0.0592","0.0446","","","0.1066","0.1107","","","","","","1.025","","","","has coordinates","177763","2020-10-21","18:00:00",""
"7224021","15.513","0.002","15.513","0.002","26.445","0.004","90","","90","","90","","6364.1","1.5","296","2","296","2","","","","","","","","5","P 4/n n c","-P 4a 2bc","126","","","","- C28 H26 K O15 Tb -","- C28 H18 K O14 Tb -","- C224 H144 K8 O112 Tb8 -","8","","","Li, Yun; Wang, Ning; Huang, Jie-Yi; Zhang, Fei-Hua; Xiong, Yan-Ju; Cheng, Qian; Fang, Jie-Fang; Zhu, Fei-Fei; Long, Yi; Yue, Shan-Tang","KI-induced synthesis of highly connected 3D KI‒LnIIIheterobimetallic MOFs: temperature-dependent structure and physical properties","CrystEngComm","2016","18","9","1570","","10.1039/C6CE00006A","","","0.71073","MoKα","","0.1178","0.0719","","","0.205","0.2427","","","","","","0.953","","","","has coordinates","177761","2020-10-21","18:00:00",""
"7224022","15.322","0.002","15.322","0.002","26.327","0.004","90","","90","","90","","6180.6","1.5","296","2","296","2","","","","","","","","5","P 4/n n c","-P 4a 2bc","126","","","","- C28 H26 Dy K O15 -","- C28 H20 Dy K0.805 O14 -","- C224 H160 Dy8 K6.44 O112 -","8","","","Li, Yun; Wang, Ning; Huang, Jie-Yi; Zhang, Fei-Hua; Xiong, Yan-Ju; Cheng, Qian; Fang, Jie-Fang; Zhu, Fei-Fei; Long, Yi; Yue, Shan-Tang","KI-induced synthesis of highly connected 3D KI‒LnIIIheterobimetallic MOFs: temperature-dependent structure and physical properties","CrystEngComm","2016","18","9","1570","","10.1039/C6CE00006A","","","0.71073","MoKα","","0.1078","0.0822","","","0.2537","0.3021","","","","","","1.059","","","","has coordinates","177761","2020-10-21","18:00:00",""
"7224023","20.15","0.05","30.14","0.07","11.69","0.03","90","","90","","90","","7100","3","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C59 H39 K O28 Tb3 -","- C59 H38 K O28 Tb3 -","- C236 H152 K4 O112 Tb12 -","4","0.5","","Li, Yun; Wang, Ning; Huang, Jie-Yi; Zhang, Fei-Hua; Xiong, Yan-Ju; Cheng, Qian; Fang, Jie-Fang; Zhu, Fei-Fei; Long, Yi; Yue, Shan-Tang","KI-induced synthesis of highly connected 3D KI‒LnIIIheterobimetallic MOFs: temperature-dependent structure and physical properties","CrystEngComm","2016","18","9","1570","","10.1039/C6CE00006A","","","0.71073","MoKα","","0.1133","0.0609","","","0.1437","0.169","","","","","","1.001","","","","has coordinates","177761","2020-10-21","18:00:00",""
"7224024","19.1","0.003","28.26","0.004","11.1446","0.0019","90","","90","","90","","6015.5","1.6","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C59 H39 Dy3 K O28 -","- C59 H38 Dy3 K O28 -","- C236 H152 Dy12 K4 O112 -","4","0.5","","Li, Yun; Wang, Ning; Huang, Jie-Yi; Zhang, Fei-Hua; Xiong, Yan-Ju; Cheng, Qian; Fang, Jie-Fang; Zhu, Fei-Fei; Long, Yi; Yue, Shan-Tang","KI-induced synthesis of highly connected 3D KI‒LnIIIheterobimetallic MOFs: temperature-dependent structure and physical properties","CrystEngComm","2016","18","9","1570","","10.1039/C6CE00006A","","","0.71073","MoKα","","0.1007","0.0587","","","0.1349","0.1544","","","","","","1.048","","","","has coordinates","177761","2020-10-21","18:00:00",""
"7224025","8.2616","0.0005","11.0442","0.0007","11.8712","0.0007","69.313","0.004","76.743","0.004","71.691","0.004","953.45","0.11","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","E,E-N3,N3'-Bis(2-hydroxybenzylidene)-(2,2'-bipyridine)-3,3'-diamine","","- C24 H18 N4 O2 -","- C24 H18 N4 O2 -","- C48 H36 N8 O4 -","2","1","","Gumbau-Brisa, R.; Hayward, J. J.; Wallis, J. D.; Rawson, J. M.; Pilkington, M.","Structural insights into the coordination chemistry and reactivity of a 3,3′-bis-imine-2,2′-bipyridine ligand","CrystEngComm","2016","18","11","1892","","10.1039/C5CE02349A","","","0.71073","MoKα","","0.0836","0.0518","","","0.1435","0.1585","","","","","","1.376","","","","has coordinates","181612","2020-10-21","18:00:00",""
"7224026","8.3486","0.0014","27.473","0.005","11.3936","0.0017","90","","93.665","0.004","90","","2607.9","0.8","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[6-(2'-Hydroxyphenyl)-6,7-dihydro-5H-dipyrido[3,2-d:2',3'-f][1,3]diazepine]tin(iV) tetrachloride.2C2H5OH","","- C21 H26 Cl4 N4 O3 Sn -","- C21 H26 Cl4 N4 O3 Sn -","- C84 H104 Cl16 N16 O12 Sn4 -","4","1","","Gumbau-Brisa, R.; Hayward, J. J.; Wallis, J. D.; Rawson, J. M.; Pilkington, M.","Structural insights into the coordination chemistry and reactivity of a 3,3′-bis-imine-2,2′-bipyridine ligand","CrystEngComm","2016","18","11","1892","","10.1039/C5CE02349A","","","0.71073","MoKα","","0.0731","0.0533","","","0.1327","0.1478","","","","","","1.156","","","","has coordinates,has disorder","181612","2020-10-21","18:00:00",""
"7224027","15.2508","0.001","23.2887","0.0016","12.9853","0.0008","90","","90","","90","","4612","0.5","150","2","150","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","[6-(2'-Hydroxyphenyl)-6,7-dihydro-5H-dipyrido[3,2-d:2',3'-f][1,3]diazepine][salicylaldehydo]copper(II) perchlorate dimer methanol solvate","","- C49 H42 Cl2 Cu2 N8 O15 -","- C49 H42 Cl2 Cu2 N8 O15 -","- C196 H168 Cl8 Cu8 N32 O60 -","4","0.5","","Gumbau-Brisa, R.; Hayward, J. J.; Wallis, J. D.; Rawson, J. M.; Pilkington, M.","Structural insights into the coordination chemistry and reactivity of a 3,3′-bis-imine-2,2′-bipyridine ligand","CrystEngComm","2016","18","11","1892","","10.1039/C5CE02349A","","","0.71073","MoKα","","0.0619","0.0399","","","0.0959","0.1077","","","","","","1.033","","","","has coordinates,has disorder","181612","2020-10-21","18:00:00",""
"7224028","9.441","0.0005","10.9557","0.0006","10.9598","0.0006","64.848","0.003","88.44","0.004","72.81","0.003","973.92","0.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","[6-(2'-Hydroxyphenyl)-6,7-dihydro-5H-dipyrido[3,2-d:2',3'-f][1,3]diazepine]manganese(II)dichloride dimer","","- C38 H40 Cl4 Mn2 N8 O4 -","- C38 H40 Cl4 Mn2 N8 O4 -","- C38 H40 Cl4 Mn2 N8 O4 -","1","0.5","","Gumbau-Brisa, R.; Hayward, J. J.; Wallis, J. D.; Rawson, J. M.; Pilkington, M.","Structural insights into the coordination chemistry and reactivity of a 3,3′-bis-imine-2,2′-bipyridine ligand","CrystEngComm","2016","18","11","1892","","10.1039/C5CE02349A","","","0.71073","MoKα","","0.0448","0.0334","","","0.0784","0.0846","","","","","","1.026","","","","has coordinates,has disorder","181612","2020-10-21","18:00:00",""
"7224029","13.163","0.003","19.772","0.005","13.268","0.002","90","","92.198","0.007","90","","3450.6","1.3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[Bis(2-(3!-amino-2,2-bipyridin-3-imino)phenoxide)iron(III)] chlorideacetonitrile solvate","","- C38 H32 Cl Fe N10 O2 -","- C38 H32 Cl Fe N10 O2 -","- C152 H128 Cl4 Fe4 N40 O8 -","4","0.5","","Gumbau-Brisa, R.; Hayward, J. J.; Wallis, J. D.; Rawson, J. M.; Pilkington, M.","Structural insights into the coordination chemistry and reactivity of a 3,3′-bis-imine-2,2′-bipyridine ligand","CrystEngComm","2016","18","11","1892","","10.1039/C5CE02349A","","","0.71073","MoKα","","0.0745","0.042","","","0.0898","0.1016","","","","","","0.997","","","","has coordinates","181612","2020-10-21","18:00:00",""
"7224030","13.0767","0.0008","13.4441","0.0008","14.3843","0.0008","100.563","0.002","107.325","0.002","98.963","0.003","2312.8","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H38 Fe2 N10 O5 -","- C52 H38 Fe2 N10 O5 -","- C104 H76 Fe4 N20 O10 -","2","1","","Gumbau-Brisa, R.; Hayward, J. J.; Wallis, J. D.; Rawson, J. M.; Pilkington, M.","Structural insights into the coordination chemistry and reactivity of a 3,3′-bis-imine-2,2′-bipyridine ligand","CrystEngComm","2016","18","11","1892","","10.1039/C5CE02349A","","","0.71073","MoKα","","0.0852","0.0719","","","0.1842","0.199","","","","","","1.266","","","","has coordinates","205752","2020-10-21","18:00:00",""
"7224040","13.0629","0.0004","7.837","0.0002","11.6838","0.0003","90","","90","","90","","1196.12","0.06","203","2","203","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C6 H16 B2 F8 N2 O -","- C6 H16 B2 F8 N2 O -","- C24 H64 B8 F32 N8 O4 -","4","1","","Han, Xiang-Bin; Hu, Pan; Shi, Chao; Zhang, Wen","1,4-Diazabicyclo[2.2.2]octane-based disalts showing non-centrosymmetric structures and phase transition behaviors","CrystEngComm","2016","18","9","1563","","10.1039/C5CE02066B","","","1.54178","CuKα","","0.0884","0.0873","","","0.2236","0.2244","","","","","","1.052","","","","has coordinates,has disorder","177760","2020-10-21","18:00:00",""
"7224041","13.231","0.01","7.883","0.007","11.786","0.01","90","","90","","90","","1229.3","1.8","296","2","296","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C6 H16 B2 F8 N2 O -","- C6 H16 B2 F8 N2 O -","- C24 H64 B8 F32 N8 O4 -","4","1","","Han, Xiang-Bin; Hu, Pan; Shi, Chao; Zhang, Wen","1,4-Diazabicyclo[2.2.2]octane-based disalts showing non-centrosymmetric structures and phase transition behaviors","CrystEngComm","2016","18","9","1563","","10.1039/C5CE02066B","","","1.54178","CuKα","","0.0424","0.0415","","","0.1182","0.1192","","","","","","1.02","","","","has coordinates,has disorder","177760","2020-10-21","18:00:00",""
"7224042","13.357","0.01","8.073","0.007","11.836","0.01","90","","90","","90","","1276.3","1.8","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C6 H16 Cl2 N2 O9 -","- C6 H16 Cl2 N2 O9 -","- C24 H64 Cl8 N8 O36 -","4","1","","Han, Xiang-Bin; Hu, Pan; Shi, Chao; Zhang, Wen","1,4-Diazabicyclo[2.2.2]octane-based disalts showing non-centrosymmetric structures and phase transition behaviors","CrystEngComm","2016","18","9","1563","","10.1039/C5CE02066B","","","0.71073","MoKα","","0.0375","0.0337","","","0.0818","0.0841","","","","","","1.026","","","","has coordinates,has disorder","177760","2020-10-21","18:00:00",""
"7224043","13.296","0.01","8.069","0.006","11.772","0.009","90","","90","","90","","1263","1.6","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C6 H16 Cl2 N2 O9 -","- C6 H16 Cl2 N2 O9 -","- C24 H64 Cl8 N8 O36 -","4","1","","Han, Xiang-Bin; Hu, Pan; Shi, Chao; Zhang, Wen","1,4-Diazabicyclo[2.2.2]octane-based disalts showing non-centrosymmetric structures and phase transition behaviors","CrystEngComm","2016","18","9","1563","","10.1039/C5CE02066B","","","0.71073","MoKα","","0.0565","0.0553","","","0.1263","0.127","","","","","","1.173","","","","has coordinates","177760","2020-10-21","18:00:00",""
"7224044","20.7414","0.0014","32.981","0.002","9.7539","0.0007","90","","90","","90","","6672.4","0.8","296","2","296","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C72 H60 Cl4 Mn O4 P4 Zn -","- C72 H60 Cl4 Mn O4 P4 Zn -","- C288 H240 Cl16 Mn4 O16 P16 Zn4 -","4","0.25","","Liu, Xiaolong; Wang, Guangqiang; Dang, Yangyang; Zhang, Shaojun; Tian, Hanlin; Ren, Yan; Tao, Xutang","A new potential nonlinear optical hybrid semi-organic crystal of ZnMnCl4(TPPO)4with attractive physical properties","CrystEngComm","2016","18","10","1818","","10.1039/C5CE02002F","","","0.71073","MoKα","","0.0253","0.0243","","","0.0665","0.0671","","","","","","1.074","","","","has coordinates","177743","2020-10-21","18:00:00",""
"7224045","20.718","0.005","33.018","0.005","9.751","0.005","90","0.005","90","0.005","90","0.005","6670","4","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C36 H30 Cl2 O2 P2 Zn -","- C36 H30 Cl2 O2 P2 Zn -","- C288 H240 Cl16 O16 P16 Zn8 -","8","0.5","","Liu, Xiaolong; Wang, Guangqiang; Dang, Yangyang; Zhang, Shaojun; Tian, Hanlin; Ren, Yan; Tao, Xutang","A new potential nonlinear optical hybrid semi-organic crystal of ZnMnCl4(TPPO)4with attractive physical properties","CrystEngComm","2016","18","10","1818","","10.1039/C5CE02002F","","","0.71073","MoKα","","0.0214","0.0203","","","0.0555","0.0559","","","","","","1.052","","","","has coordinates","177743","2020-10-21","18:00:00",""
"7224048","13.876","0.002","12.212","0.002","7.7376","0.0015","90","","104.205","0.018","90","","1271.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 Co N O6 -","- C13 H7 Co N O6 -","- C52 H28 Co4 N4 O24 -","4","1","","Hou, Juan-Juan; Li, Xiao-Qing; Tian, Bao-Qiang; Zhang, Xian-Ming","Genuine supramolecular isomers based on Y-shaped pyridinedicarboxylate ligands with distinct topology: 2D 63layer, kgd layer to 3D rtl net","CrystEngComm","2016","18","12","2065","","10.1039/C5CE02284C","","","0.71073","MoKα","","0.1275","0.0896","","","0.2021","0.2257","","","","","","1.102","","","","has coordinates","181599","2020-10-21","18:00:00",""
"7224049","6.4032","0.0003","7.7936","0.0003","12.7782","0.0006","74.095","0.004","83.775","0.004","84.04","0.004","607.82","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H11 Co N O6 -","- C13 H11 Co N O6 -","- C26 H22 Co2 N2 O12 -","2","1","","Hou, Juan-Juan; Li, Xiao-Qing; Tian, Bao-Qiang; Zhang, Xian-Ming","Genuine supramolecular isomers based on Y-shaped pyridinedicarboxylate ligands with distinct topology: 2D 63layer, kgd layer to 3D rtl net","CrystEngComm","2016","18","12","2065","","10.1039/C5CE02284C","","","0.71073","MoKα","","0.0402","0.0332","","","0.0766","0.0804","","","","","","1.066","","","","has coordinates","181599","2020-10-21","18:00:00",""
"7224050","6.4023","0.0003","16.0344","0.0006","25.698","0.001","106.588","0.001","96.084","0.001","92.993","0.001","2504.62","0.18","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H11 Co N O6 -","- C13 H7 Co N O6 -","- C104 H56 Co8 N8 O48 -","8","4","","Hou, Juan-Juan; Li, Xiao-Qing; Tian, Bao-Qiang; Zhang, Xian-Ming","Genuine supramolecular isomers based on Y-shaped pyridinedicarboxylate ligands with distinct topology: 2D 63layer, kgd layer to 3D rtl net","CrystEngComm","2016","18","12","2065","","10.1039/C5CE02284C","","","0.71073","MoKα","","0.0636","0.0483","","","0.1313","0.1419","","","","","","1.063","","","","has coordinates","181599","2020-10-21","18:00:00",""
"7224059","28.77","0.03","8.771","0.008","10.211","0.001","90","","108.17","0.03","90","","2448","3","100","2","100","2","","","","","","","Aspergillus niger","4","C 1 2/c 1","-C 2yc","15","Nigerloxin dioxane water solvate","Nigerloxin dioxane water solvate","","- C12 H13 N O7 -","- C12 H13 N O7 -","- C96 H104 N8 O56 -","8","1","","Singh, Shiv Shankar; Vasantha, K. Y.; Sattur, A. P.; Thakur, Tejender S.","Experimental and computational crystal structure landscape study of nigerloxin: a fungal metabolite from Aspergillus niger","CrystEngComm","2016","18","10","1740","","10.1039/C5CE02572A","","x-ray","0.71075","MoKα","","0.087","0.0636","","","0.1703","0.205","","","","","","1.105","","","","has coordinates","177746","2020-10-21","18:00:00",""
"7224060","11.277","0.004","8.788","0.003","9.851","0.004","90","","96.003","0.007","90","","970.9","0.6","100","2","100","2","","","","","","","Aspergillus niger","4","P 1 21/c 1","-P 2ybc","14","Nigerloxin monohydrate","Nigerloxin monohydrate","","- C10 H9 N O6 -","- C10 H9 N O6 -","- C40 H36 N4 O24 -","4","1","","Singh, Shiv Shankar; Vasantha, K. Y.; Sattur, A. P.; Thakur, Tejender S.","Experimental and computational crystal structure landscape study of nigerloxin: a fungal metabolite from Aspergillus niger","CrystEngComm","2016","18","10","1740","","10.1039/C5CE02572A","","x-ray","0.71075","MoKα","","0.0567","0.037","","","0.0867","0.0926","","","","","","1.042","","","","has coordinates","177746","2020-10-21","18:00:00",""
"7224069","42.6717","0.0011","26.3547","0.0007","33.6116","0.0009","90","","113.576","0.001","90","","34644.5","1.6","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","{Co16 Cl4 (HCO2)4 (H2O)4 [C40H44S4O4]4 [C13FH6NO4]4}","","","- C216 H212 Cl4 Co16 F4 N4 O44 S16 -","- C216 H194 Cl4 Co16 F4 N4 O44 S16 -","- C864 H776 Cl16 Co64 F16 N16 O176 S64 -","4","0.5","","Hang, Xinxin; Wang, Shentang; Zhu, Xiaofei; Han, Haitao; Liao, Wuping","pH-dependent formation of different coordination cages based on Co4-TC4A secondary building units and bridging ligands","CrystEngComm","2016","18","26","4938","","10.1039/C6CE00028B","","","1.54178","CuKα","","0.0744","0.0638","","","0.1492","0.1543","","","","","","1.099","","","","has coordinates,has disorder","185188","2020-10-21","18:00:00",""
"7224070","30.146","0.0005","30.146","0.0005","21.5634","0.0005","90","","90","","90","","19596.4","0.6","150","2","150","2","","","","","","","","8","I 4/m","-I 4","87","{Co16 Cl4 [C40H44S4O4]4 [C13FH6NO4]8}","","","- C264 H224 Cl4 Co16 F8 N8 O48 S16 -","- C264 H56 Cl4 Co16 F8 N8 O48 S16 -","- C528 H112 Cl8 Co32 F16 N16 O96 S32 -","2","0.125","","Hang, Xinxin; Wang, Shentang; Zhu, Xiaofei; Han, Haitao; Liao, Wuping","pH-dependent formation of different coordination cages based on Co4-TC4A secondary building units and bridging ligands","CrystEngComm","2016","18","26","4938","","10.1039/C6CE00028B","","","1.54178","CuKα","","0.0908","0.0857","","","0.2686","0.278","","","","","","1.133","","","","has coordinates,has disorder","185188","2020-10-21","18:00:00",""
"7224071","42.516","0.002","28.4143","0.0014","33.6347","0.0017","90","","111.972","0.002","90","","37682","3","294","2","294","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","{Co16 Cl4 (HCO2)4 (H2O)4 [C40H44S4O4]4 [C13H7NO4]4}","","","- C216 H216 Cl4 Co16 N4 O44 S16 -","- C216 H204 Cl4 Co16 N4 O44 S16 -","- C864 H816 Cl16 Co64 N16 O176 S64 -","4","0.5","","Hang, Xinxin; Wang, Shentang; Zhu, Xiaofei; Han, Haitao; Liao, Wuping","pH-dependent formation of different coordination cages based on Co4-TC4A secondary building units and bridging ligands","CrystEngComm","2016","18","26","4938","","10.1039/C6CE00028B","","","1.54178","CuKα","","0.0864","0.0675","","","0.1865","0.1967","","","","","","1.051","","","","has coordinates","185188","2020-10-21","18:00:00",""
"7224072","30.163","0.0003","30.163","0.0003","21.6122","0.0004","90","","90","","90","","19662.9","0.5","150","2","150","2","","","","","","","","7","I 4/m","-I 4","87","{Co16 Cl4 [C40H44S4O4]4 [C13H7NO4]8}","","","- C264 H232 Cl4 Co16 N8 O48 S16 -","- C264 H56 Cl4 Co16 N8 O48 S16 -","- C528 H112 Cl8 Co32 N16 O96 S32 -","2","0.125","","Hang, Xinxin; Wang, Shentang; Zhu, Xiaofei; Han, Haitao; Liao, Wuping","pH-dependent formation of different coordination cages based on Co4-TC4A secondary building units and bridging ligands","CrystEngComm","2016","18","26","4938","","10.1039/C6CE00028B","","","1.54178","CuKα","","0.1157","0.1102","","","0.3034","0.311","","","","","","1.111","","","","has coordinates,has disorder","185188","2020-10-21","18:00:00",""
"7224073","21.0408","0.0013","21.0408","0.0013","21.0408","0.0013","90","","90","","90","","9315.1","1","173","2","173","2","","","","","","","","7","P m -3 m","-P 4 2 3","221","","","","- C168 H432 Cl18 La12 N24 Ni15 O276 -","- C168 H96 Cl14 La12 N24 Ni15 O230 -","- C168 H96 Cl14 La12 N24 Ni15 O230 -","1","0.0208333","","Zhang, Han; Yan, Zhi-Hao; Luo, Yun; Zheng, Xiu-Ying; Kong, Xiang-Jian; Long, La-Sheng; Zheng, Lan-Sun","Anion-controlled assembly of a series of heterometallic 3d‒4f compounds with 0D cluster, 1D chain, 2D network and 3D frameworks","CrystEngComm","2016","18","22","4142","","10.1039/C5CE02503F","","","0.71073","MoKα","","0.0644","0.0637","","","0.1716","0.1724","","","","","","1.036","","","","has coordinates,has disorder","185171","2020-10-21","18:00:00",""
"7224074","20.9271","0.0003","20.9271","0.0003","20.9271","0.0003","90","","90","","90","","9164.9","0.2","173","2","173","2","","","","","","","","7","P m -3 m","-P 4 2 3","221","","","","- C168 H460 Cl18 Gd12 N24 Ni15 O290 -","- C168 Cl14 Gd12 N24 Ni15 O194 -","- C168 Cl14 Gd12 N24 Ni15 O194 -","1","0.0208333","","Zhang, Han; Yan, Zhi-Hao; Luo, Yun; Zheng, Xiu-Ying; Kong, Xiang-Jian; Long, La-Sheng; Zheng, Lan-Sun","Anion-controlled assembly of a series of heterometallic 3d‒4f compounds with 0D cluster, 1D chain, 2D network and 3D frameworks","CrystEngComm","2016","18","22","4142","","10.1039/C5CE02503F","","","0.71073","MoKα","","0.2181","0.1069","","","0.2436","0.2964","","","","","","1.042","","","","has coordinates,has disorder","185171","2020-10-21","18:00:00",""
"7224075","18.7646","0.0007","9.0729","0.0002","18.6765","0.0007","90","","116.804","0.004","90","","2838.02","0.19","173","2","173.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H30 Cl La N2 Ni O21 -","- C14 H28 Cl La N2 Ni O21 -","- C56 H112 Cl4 La4 N8 Ni4 O84 -","4","1","","Zhang, Han; Yan, Zhi-Hao; Luo, Yun; Zheng, Xiu-Ying; Kong, Xiang-Jian; Long, La-Sheng; Zheng, Lan-Sun","Anion-controlled assembly of a series of heterometallic 3d‒4f compounds with 0D cluster, 1D chain, 2D network and 3D frameworks","CrystEngComm","2016","18","22","4142","","10.1039/C5CE02503F","","","0.71073","MoKα","","0.0387","0.0319","","","0.0873","0.0894","","","","","","1.08","","","","has coordinates","185171","2020-10-21","18:00:00",""
"7224076","18.633","0.0009","8.9756","0.0004","18.637","0.0009","90","","116.699","0.003","90","","2784.6","0.2","173","2","173.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H36 Cl N2 Nd Ni O21 -","- C14 H18 Cl N2 Nd Ni O21 -","- C56 H72 Cl4 N8 Nd4 Ni4 O84 -","4","1","","Zhang, Han; Yan, Zhi-Hao; Luo, Yun; Zheng, Xiu-Ying; Kong, Xiang-Jian; Long, La-Sheng; Zheng, Lan-Sun","Anion-controlled assembly of a series of heterometallic 3d‒4f compounds with 0D cluster, 1D chain, 2D network and 3D frameworks","CrystEngComm","2016","18","22","4142","","10.1039/C5CE02503F","","","0.71073","MoKα","","0.0358","0.0314","","","0.077","0.0786","","","","","","1.08","","","","has coordinates","185171","2020-10-21","18:00:00",""
"7224077","9.2011","0.0018","12.234","0.002","12.51","0.003","85.62","0.03","80.05","0.03","68.91","0.03","1294","0.5","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H68 N6 Nd2 Ni2 O38 -","- C28 H68 N6 Nd2 Ni2 O38 -","- C28 H68 N6 Nd2 Ni2 O38 -","1","0.5","","Zhang, Han; Yan, Zhi-Hao; Luo, Yun; Zheng, Xiu-Ying; Kong, Xiang-Jian; Long, La-Sheng; Zheng, Lan-Sun","Anion-controlled assembly of a series of heterometallic 3d‒4f compounds with 0D cluster, 1D chain, 2D network and 3D frameworks","CrystEngComm","2016","18","22","4142","","10.1039/C5CE02503F","","","0.71073","MoKα","","0.0259","0.0236","","","0.0563","0.0572","","","","","","1.046","","","","has coordinates","185171","2020-10-21","18:00:00",""
"7224078","9.1672","0.0018","12.17","0.002","12.442","0.003","85.92","0.03","79.65","0.03","68.68","0.03","1272","0.5","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H36 Dy2 N6 Ni2 O38 -","- C28 H36 Dy2 N6 Ni2 O38 -","- C28 H36 Dy2 N6 Ni2 O38 -","1","0.5","","Zhang, Han; Yan, Zhi-Hao; Luo, Yun; Zheng, Xiu-Ying; Kong, Xiang-Jian; Long, La-Sheng; Zheng, Lan-Sun","Anion-controlled assembly of a series of heterometallic 3d‒4f compounds with 0D cluster, 1D chain, 2D network and 3D frameworks","CrystEngComm","2016","18","22","4142","","10.1039/C5CE02503F","","","0.71073","MoKα","","0.0355","0.0316","","","0.0824","0.0985","","","","","","1.156","","","","has coordinates","185171","2020-10-21","18:00:00",""
"7224079","7.558","0.002","11.269","0.003","15.561","0.004","100.694","0.005","103.838","0.004","105.732","0.005","1193.4","0.5","173","2","173.15","","","","","","","","","7","P -1","-P 1","2","","","","- C14 H34 Cl Dy N2 Ni O16 -","- C14 H34 Cl Dy N2 Ni O16 -","- C28 H68 Cl2 Dy2 N4 Ni2 O32 -","2","1","","Zhang, Han; Yan, Zhi-Hao; Luo, Yun; Zheng, Xiu-Ying; Kong, Xiang-Jian; Long, La-Sheng; Zheng, Lan-Sun","Anion-controlled assembly of a series of heterometallic 3d‒4f compounds with 0D cluster, 1D chain, 2D network and 3D frameworks","CrystEngComm","2016","18","22","4142","","10.1039/C5CE02503F","","","0.71073","MoKα","","0.0288","0.0277","","","0.0695","0.0702","","","","","","1.093","","","","has coordinates","185171","2020-10-21","18:00:00",""
"7224080","28.11","0.004","13.7799","0.0016","14.3362","0.0017","90","","100.267","0.003","90","","5464.3","1.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H19 Eu N7 O9 -","- C21 H19 Eu N7 O9 -","- C168 H152 Eu8 N56 O72 -","8","1","","Wu, Lan-Lan; Zhao, Junfang; Wang, Hui; Wang, Jingyuan","A lanthanide(iii) metal‒organic framework exhibiting ratiometric luminescent temperature sensing and tunable white light emission","CrystEngComm","2016","18","23","4268","","10.1039/C5CE02444G","","","0.71073","MoKα","","0.0871","0.0602","","","0.1595","0.1744","","","","","","1.08","","","","has coordinates","185284","2020-10-21","18:00:00",""
"7224081","28.282","0.004","13.564","0.0018","14.509","0.002","90","","100.155","0.003","90","","5478.7","1.3","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H19 N7 O9 Tb -","- C21 H19 N7 O9 Tb -","- C168 H152 N56 O72 Tb8 -","8","1","","Wu, Lan-Lan; Zhao, Junfang; Wang, Hui; Wang, Jingyuan","A lanthanide(iii) metal‒organic framework exhibiting ratiometric luminescent temperature sensing and tunable white light emission","CrystEngComm","2016","18","23","4268","","10.1039/C5CE02444G","","","0.71073","MoKα","","0.0736","0.051","","","0.139","0.1527","","","","","","1.056","","","","has coordinates","185284","2020-10-21","18:00:00",""
"7224082","5.8278","0.0004","10.3521","0.0006","10.4775","0.0006","90","","102.948","0.007","90","","616.04","0.07","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- B3 Na2 O8 Sb -","- B3 Na2 O8 Sb -","- B12 Na8 O32 Sb4 -","4","1","","Yan, Dong; Hu, Chun-Li; Mao, Jiang-Gao","A2SbB3O8(A = Na, K, Rb) and β-RbSbB2O6: two types of alkali boroantimonates with 3D anionic architectures composed of SbO6octahedra and borate groups","CrystEngComm","2016","18","9","1655","","10.1039/C5CE02324F","","","0.71073","MoKα","","0.0404","0.0336","","","0.0724","0.0762","","","","","","1.004","","","","has coordinates","177765","2020-10-21","18:00:00",""
"7224083","5.9013","0.0007","11.0876","0.001","10.9497","0.0012","90","","103.218","0.007","90","","697.47","0.13","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- B3 K2 O8 Sb -","- B3 K2 O8 Sb -","- B12 K8 O32 Sb4 -","4","1","","Yan, Dong; Hu, Chun-Li; Mao, Jiang-Gao","A2SbB3O8(A = Na, K, Rb) and β-RbSbB2O6: two types of alkali boroantimonates with 3D anionic architectures composed of SbO6octahedra and borate groups","CrystEngComm","2016","18","9","1655","","10.1039/C5CE02324F","","","0.71073","MoKα","","0.0282","0.0251","","","0.0691","0.0723","","","","","","0.944","","","","has coordinates","177765","2020-10-21","18:00:00",""
"7224084","5.9381","0.0006","11.2928","0.0005","11.3181","0.0015","90","","103.754","0.015","90","","737.2","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- B3 O8 Rb2 Sb -","- B3 O8 Rb2 Sb -","- B12 O32 Rb8 Sb4 -","4","1","","Yan, Dong; Hu, Chun-Li; Mao, Jiang-Gao","A2SbB3O8(A = Na, K, Rb) and β-RbSbB2O6: two types of alkali boroantimonates with 3D anionic architectures composed of SbO6octahedra and borate groups","CrystEngComm","2016","18","9","1655","","10.1039/C5CE02324F","","","0.71073","MoKα","","0.0294","0.0267","","","0.0649","0.066","","","","","","1.115","","","","has coordinates","177765","2020-10-21","18:00:00",""
"7224085","11.7148","0.0014","7.1633","0.0006","7.4109","0.0008","90","","125.435","0.01","90","","506.71","0.11","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- B2 O6 Rb Sb -","- B2 O6 Rb Sb -","- B8 O24 Rb4 Sb4 -","4","1","","Yan, Dong; Hu, Chun-Li; Mao, Jiang-Gao","A2SbB3O8(A = Na, K, Rb) and β-RbSbB2O6: two types of alkali boroantimonates with 3D anionic architectures composed of SbO6octahedra and borate groups","CrystEngComm","2016","18","9","1655","","10.1039/C5CE02324F","","","0.71073","MoKα","","0.0403","0.035","","","0.0812","0.0851","","","","","","1.041","","","","has coordinates","177765","2020-10-21","18:00:00",""
"7224086","24.6165","0.0009","35.8569","0.0015","30.2783","0.0012","90","","90","","90","","26725.8","1.8","296","2","296","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C54 H42 Co7 N6 O35 -","- C54 H42 Co7 N6 O35 -","- C432 H336 Co56 N48 O280 -","8","0.5","","Guo, Xiao-Qing; Wang, Miao; Tang, Yan-Feng; Meng, Fei; Jiang, Guo-Qing; Zhu, Jin-Li","A new Co-nitroimidazolate‒dicarboxylate pillared-layer network with various types of channels and ultra-large cages for gas uptake","CrystEngComm","2016","18","10","1768","","10.1039/C5CE02270C","","","0.71073","MoKα","","0.1094","0.0816","","","0.23","0.2494","","","","","","0.998","","","","has coordinates","177748","2020-10-21","18:00:00",""
"7224101","13.6094","0.0004","20.4337","0.0005","17.9312","0.0006","90","","108.986","0.004","90","","4715.2","0.3","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","tris-(1,1,1,2,2,3,3-heptafluoro-7,7-dimethyl-4,6-octadionato-O,O')-(2,2'-bipyridine-N,N')-Dysprosium(III)","","- C40 H38 Dy F21 N2 O6 -","- C40 H38 Dy F21 N2 O6 -","- C160 H152 Dy4 F84 N8 O24 -","4","1","","Gao, Chen; Yang, Qian; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Evaporable lanthanide single-ion magnet","CrystEngComm","2016","18","22","4165","","10.1039/C5CE02571K","","","0.71073","MoKα","","0.0581","0.0443","","","0.1105","0.122","","","","","","1.059","","","","has coordinates","185169","2020-10-21","18:00:00",""
"7224102","14.0899","0.0003","19.8329","0.0003","17.4263","0.0003","90","","102.091","0.002","90","","4761.64","0.15","119.96","0.11","119.96","0.11","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","tris-(1,1,1,2,2,3,3-heptafluoro-7,7-dimethyl-4,6-octadionato-O,O')-(1,10-phenanthroline-N,N')-Dysprosium(III)","","- C42 H38 Dy F21 N2 O6 -","- C42 H38 Dy F21 N2 O6 -","- C168 H152 Dy4 F84 N8 O24 -","4","1","","Gao, Chen; Yang, Qian; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Evaporable lanthanide single-ion magnet","CrystEngComm","2016","18","22","4165","","10.1039/C5CE02571K","","","0.71073","MoKα","","0.0945","0.0678","","","0.1776","0.2076","","","","","","1.053","","","","has coordinates","185169","2020-10-21","18:00:00",""
"7224103","20.892","0.01","24.47","0.011","25.238","0.011","90","","90","","90","","12902","10","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H12 Br4 O16 Zn3 -","- C32 H12 Br4 O16 Zn3 -","- C256 H96 Br32 O128 Zn24 -","8","1","","Ma, De-Yun; Qin, Liang; Lei, Jia-Mei; Liang, Yun-Qiu; Lin, Wei-Jie; Yan, Jing-Jing; Ding, Wan-Qiu; Guo, Hai-Fu; Ling, Yun","Structural diversity of a series of coordination polymers built from 5-substituted isophthalic acid with or without a methyl-functionalized N-donor ligand","CrystEngComm","2016","18","8","1363","","10.1039/C5CE02314A","","","0.71073","MoKα","","0.126","0.0803","","","0.2071","0.2324","","","","","","0.958","","","","has coordinates","177757","2020-10-21","18:00:00",""
"7224104","14.0217","0.0002","31.3444","0.0005","27.9952","0.0004","90","","90","","90","","12303.9","0.3","223","2","223","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C28 H18 Br2 N2 O8 Zn2 -","- C28 H18 Br2 N2 O8 Zn2 -","- C448 H288 Br32 N32 O128 Zn32 -","16","2","","Ma, De-Yun; Qin, Liang; Lei, Jia-Mei; Liang, Yun-Qiu; Lin, Wei-Jie; Yan, Jing-Jing; Ding, Wan-Qiu; Guo, Hai-Fu; Ling, Yun","Structural diversity of a series of coordination polymers built from 5-substituted isophthalic acid with or without a methyl-functionalized N-donor ligand","CrystEngComm","2016","18","8","1363","","10.1039/C5CE02314A","","","1.54184","CuKα","","0.1382","0.1373","","","0.3158","0.3162","","","","","","1.137","","","","has coordinates,has disorder","177757","2020-10-21","18:00:00",""
"7224105","12.882","0.005","14.292","0.006","16.936","0.008","110.255","0.009","99.167","0.011","106.39","0.009","2690","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H24 N8 O62 Zn13 -","- C64 H24 N8 O62 Zn13 -","- C64 H24 N8 O62 Zn13 -","1","0.5","","Ma, De-Yun; Qin, Liang; Lei, Jia-Mei; Liang, Yun-Qiu; Lin, Wei-Jie; Yan, Jing-Jing; Ding, Wan-Qiu; Guo, Hai-Fu; Ling, Yun","Structural diversity of a series of coordination polymers built from 5-substituted isophthalic acid with or without a methyl-functionalized N-donor ligand","CrystEngComm","2016","18","8","1363","","10.1039/C5CE02314A","","","0.71073","MoKα","","0.2034","0.1636","","","0.4142","0.4428","","","","","","1.47","","","","has coordinates","177757","2020-10-21","18:00:00",""
"7224106","12.5013","0.0005","14.5412","0.0005","8.2241","0.0003","90","","104.849","0.0009","90","","1445.08","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 N4 O14 Zn2 -","- C28 H22 N4 O14 Zn2 -","- C56 H44 N8 O28 Zn4 -","2","0.5","","Ma, De-Yun; Qin, Liang; Lei, Jia-Mei; Liang, Yun-Qiu; Lin, Wei-Jie; Yan, Jing-Jing; Ding, Wan-Qiu; Guo, Hai-Fu; Ling, Yun","Structural diversity of a series of coordination polymers built from 5-substituted isophthalic acid with or without a methyl-functionalized N-donor ligand","CrystEngComm","2016","18","8","1363","","10.1039/C5CE02314A","","","0.71073","MoKα","","0.0242","0.022","","","0.0629","0.0641","","","","","","1.017","","","","has coordinates","177757","2020-10-21","18:00:00",""
"7224107","8.5151","0.0006","10.0658","0.0007","11.9929","0.0008","67.113","0.002","88.027","0.002","76.771","0.002","920.16","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 Cd N3 O8 -","- C16 H16 Cd N3 O8 -","- C32 H32 Cd2 N6 O16 -","2","1","","Ma, De-Yun; Qin, Liang; Lei, Jia-Mei; Liang, Yun-Qiu; Lin, Wei-Jie; Yan, Jing-Jing; Ding, Wan-Qiu; Guo, Hai-Fu; Ling, Yun","Structural diversity of a series of coordination polymers built from 5-substituted isophthalic acid with or without a methyl-functionalized N-donor ligand","CrystEngComm","2016","18","8","1363","","10.1039/C5CE02314A","","","0.71073","MoKα","","0.0276","0.0257","","","0.0638","0.0651","","","","","","1.06","","","","has coordinates","177757","2020-10-21","18:00:00",""
"7224108","9.946","0.004","9.946","0.004","31.544","0.013","90","","90","","90","","3120","2","293","2","293","2","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","","","","- C15 H11 N O4 Zn -","- C15 H11 N O4 Zn -","- C120 H88 N8 O32 Zn8 -","8","0.5","","Ma, De-Yun; Qin, Liang; Lei, Jia-Mei; Liang, Yun-Qiu; Lin, Wei-Jie; Yan, Jing-Jing; Ding, Wan-Qiu; Guo, Hai-Fu; Ling, Yun","Structural diversity of a series of coordination polymers built from 5-substituted isophthalic acid with or without a methyl-functionalized N-donor ligand","CrystEngComm","2016","18","8","1363","","10.1039/C5CE02314A","","","0.71073","MoKα","","0.0359","0.0282","","","0.0631","0.0678","","","","","","1.07","","","","has coordinates,has disorder","177757","2020-10-21","18:00:00",""
"7224109","9.919","0.006","16.851","0.01","10.145","0.006","90","","93.18","0.011","90","","1693.1","1.7","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H36 N4 O12 Zn2 -","- C28 H36 N4 O12 Zn2 -","- C56 H72 N8 O24 Zn4 -","2","1","","Ma, De-Yun; Qin, Liang; Lei, Jia-Mei; Liang, Yun-Qiu; Lin, Wei-Jie; Yan, Jing-Jing; Ding, Wan-Qiu; Guo, Hai-Fu; Ling, Yun","Structural diversity of a series of coordination polymers built from 5-substituted isophthalic acid with or without a methyl-functionalized N-donor ligand","CrystEngComm","2016","18","8","1363","","10.1039/C5CE02314A","","","0.71073","MoKα","","0.1087","0.0651","","","0.1509","0.1771","","","","","","0.977","","","","has coordinates,has disorder","177757","2020-10-21","18:00:00",""
"7224110","20.941","0.004","8.9021","0.0018","15.065","0.003","90","","117.91","0.03","90","","2481.7","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H22 N2 O8 Zn -","- C28 H22 N2 O8 Zn -","- C112 H88 N8 O32 Zn4 -","4","0.5","","Ma, De-Yun; Qin, Liang; Lei, Jia-Mei; Liang, Yun-Qiu; Lin, Wei-Jie; Yan, Jing-Jing; Ding, Wan-Qiu; Guo, Hai-Fu; Ling, Yun","Structural diversity of a series of coordination polymers built from 5-substituted isophthalic acid with or without a methyl-functionalized N-donor ligand","CrystEngComm","2016","18","8","1363","","10.1039/C5CE02314A","","","0.71073","MoKα","","0.0447","0.0402","","","0.1043","0.1081","","","","","","1.063","","","","has coordinates","177757","2020-10-21","18:00:00",""
"7224111","8.2249","0.0016","9.8672","0.0019","11.221","0.002","68.441","0.003","68.947","0.004","66.741","0.003","753.3","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H14 N O5 Zn -","- C15 H14 N O5 Zn -","- C30 H28 N2 O10 Zn2 -","2","1","","Ma, De-Yun; Qin, Liang; Lei, Jia-Mei; Liang, Yun-Qiu; Lin, Wei-Jie; Yan, Jing-Jing; Ding, Wan-Qiu; Guo, Hai-Fu; Ling, Yun","Structural diversity of a series of coordination polymers built from 5-substituted isophthalic acid with or without a methyl-functionalized N-donor ligand","CrystEngComm","2016","18","8","1363","","10.1039/C5CE02314A","","","0.71073","MoKα","","0.0616","0.0536","","","0.1546","0.1654","","","","","","1.09","","","","has coordinates","177757","2020-10-21","18:00:00",""
"7224112","11.2042","0.0013","14.7102","0.0017","9.5638","0.0011","90","","90","","90","","1576.3","0.3","296","2","296","2","","","","","","","","8","P n n m","-P 2 2n","58","","","","- C8 H37 Cu4 N8 Na0 Nb3 O22 W3 -","- C8 H32 Cu4 N8 Nb3 O21 W3 -","- C16 H64 Cu8 N16 Nb6 O42 W6 -","2","0.25","","Jin, Lu; Li, Xin-Xiong; Zhao, Dan; Li, Hao-Hong; Zheng, Shou-Tian","A rare polyniobotungstate-based framework and its structural transformation in a single-crystal-to-single-crystal process induced by iodide ions","CrystEngComm","2016","18","10","1705","","10.1039/C5CE02443A","","","0.71073","MoKα","","0.0537","0.0506","","","0.1317","0.1525","","","","","","1.357","","","","has coordinates","177750","2020-10-21","18:00:00",""
"7224120","24.5154","0.0014","24.5154","0.0014","76.118","0.004","90","","90","","90","","45747","4","100","2","100","2","","","","","","","","5","I 41","I 4bw","80","","","","- C108 H150 Ag6 N30 O21 -","- C108 H144 Ag6 N30 O21 -","- C1728 H2304 Ag96 N480 O336 -","16","2","","Abu-Youssef, M. A. M.; Soliman, S. M.; Sharaf, M. M.; Albering, J. H.; Öhrström, L.","Topology analysis reveals supramolecular organisation of 96 large complex ions into one geometrical object","CrystEngComm","2016","18","11","1883","","10.1039/C5CE02490K","","","0.71073","MoKα","","0.0487","0.0357","","","0.0693","0.0739","","","","","","1.019","","","","has coordinates,has disorder","181605","2020-10-21","18:00:00",""
"7224121","10.4951","0.0007","8.104","0.0005","18.3689","0.0011","90","","90","","90","","1562.32","0.17","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","4-Pyrrolidine-1-yl-pyridine","","","- C9 H12 N2 -","- C9 H12 N2 -","- C72 H96 N16 -","8","1","","Abu-Youssef, M. A. M.; Soliman, S. M.; Sharaf, M. M.; Albering, J. H.; Öhrström, L.","Topology analysis reveals supramolecular organisation of 96 large complex ions into one geometrical object","CrystEngComm","2016","18","11","1883","","10.1039/C5CE02490K","","","0.71073","MoKα","","0.0439","0.0369","","","0.093","0.1006","","","","","","1.07","","","","has coordinates","181605","2020-10-21","18:00:00",""
"7224122","11.3787","0.001","8.1171","0.0007","21.41","0.002","90","","95.969","0.006","90","","1966.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 Ag Cl N4 O4 -","- C18 H24 Ag Cl N4 O4 -","- C72 H96 Ag4 Cl4 N16 O16 -","4","1","","Abu-Youssef, M. A. M.; Soliman, S. M.; Sharaf, M. M.; Albering, J. H.; Öhrström, L.","Topology analysis reveals supramolecular organisation of 96 large complex ions into one geometrical object","CrystEngComm","2016","18","11","1883","","10.1039/C5CE02490K","","","0.71073","MoKα","","0.092","0.0488","","","0.1061","0.1252","","","","","","1.017","","","","has coordinates","181605","2020-10-21","18:00:00",""
"7224123","14.582","0.002","22.199","0.003","11.3662","0.0016","90","","90","","90","","3679.3","0.9","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","C32H33B2CoF8N11","","","- C32 H33 B2 Co F8 N11 -","- C32 H33 B2 Co F8 N11 -","- C128 H132 B8 Co4 F32 N44 -","4","0.5","","Shao, Dong; Shi, Le; Zhang, Shao-Liang; Zhao, Xin-Hua; Wu, Dong-Qing; Wei, Xiao-Qin; Wang, Xin-Yi","Syntheses, structures, and magnetic properties of three new chain compounds based on a pentagonal bipyramidal Co(ii) building block","CrystEngComm","2016","18","22","4150","","10.1039/C5CE02594J","","","0.71073","MoKα","","0.0668","0.0579","","","0.1688","0.1779","","","","","","1.058","","","","has coordinates","185166","2020-10-21","18:00:00",""
"7224124","13.8571","0.0007","16.6586","0.0008","19.6933","0.0009","68.138","0.001","88.062","0.002","88.016","0.002","4215.5","0.4","123","2","123","2","","","","","","","","6","P -1","-P 1","2","C41H41.99B2CoF8N12","","","- C41 H41.99 B2 Co F8 N12 -","- C40.9975 H41.995 B2 Co F8 N12 -","- C163.99 H167.98 B8 Co4 F32 N48 -","4","2","","Shao, Dong; Shi, Le; Zhang, Shao-Liang; Zhao, Xin-Hua; Wu, Dong-Qing; Wei, Xiao-Qin; Wang, Xin-Yi","Syntheses, structures, and magnetic properties of three new chain compounds based on a pentagonal bipyramidal Co(ii) building block","CrystEngComm","2016","18","22","4150","","10.1039/C5CE02594J","","","0.71073","MoKα","","0.1144","0.0757","","","0.1654","0.1812","","","","","","1.08","","","","has coordinates","185166","2020-10-21","18:00:00",""
"7224125","9.7431","0.0011","12.2307","0.0014","14.5005","0.0017","95.953","0.002","107.564","0.002","99.913","0.002","1600.4","0.3","123","2","123","2","","","","","","","","7","P -1","-P 1","2","C29H30B2CoF8N10O","","","- C29 H30 B2 Co F8 N10 O -","- C29 H30 B2 Co F8 N10 O -","- C58 H60 B4 Co2 F16 N20 O2 -","2","1","","Shao, Dong; Shi, Le; Zhang, Shao-Liang; Zhao, Xin-Hua; Wu, Dong-Qing; Wei, Xiao-Qin; Wang, Xin-Yi","Syntheses, structures, and magnetic properties of three new chain compounds based on a pentagonal bipyramidal Co(ii) building block","CrystEngComm","2016","18","22","4150","","10.1039/C5CE02594J","","","0.71073","MoKα","","0.0763","0.0502","","","0.1281","0.149","","","","","","1.025","","","","has coordinates,has disorder","185166","2020-10-21","18:00:00",""
"7224126","9.415","0.005","10.117","0.005","14.657","0.005","85.815","0.005","74.704","0.005","70.067","0.005","1265.7","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H20 N2 O6 Zn -","- C27 H20 N2 O6 Zn -","- C54 H40 N4 O12 Zn2 -","2","1","","Pal, Sanchari; Pal, Tapan K.; Bharadwaj, Parimal K.","Solvothermal synthesis of coordination polymers at different temperatures and their luminescence studies","CrystEngComm","2016","18","10","1825","","10.1039/C5CE02540K","","","0.71073","MoKα","","0.0629","0.0505","","","0.1169","0.1315","","","","","","1.073","","","","has coordinates","177747","2020-10-21","18:00:00",""
"7224127","11.106","0.005","15.856","0.005","17.853","0.005","82.222","0.005","88.158","0.005","88.201","0.005","3112.2","1.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H20 N2 O6 Zn -","- C27 H20 N2 O6 Zn -","- C108 H80 N8 O24 Zn4 -","4","2","","Pal, Sanchari; Pal, Tapan K.; Bharadwaj, Parimal K.","Solvothermal synthesis of coordination polymers at different temperatures and their luminescence studies","CrystEngComm","2016","18","10","1825","","10.1039/C5CE02540K","","","0.71073","MoKα","","0.0743","0.0601","","","0.1561","0.1613","","","","","","1.048","","","","has coordinates","177747","2020-10-21","18:00:00",""
"7224128","10.972","0.005","16.101","0.005","37.978","0.005","90","","90","","90","","6709","4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C35 H33 N5 O7 Zn -","- C35 H33 N5 O7 Zn -","- C280 H264 N40 O56 Zn8 -","8","1","","Pal, Sanchari; Pal, Tapan K.; Bharadwaj, Parimal K.","Solvothermal synthesis of coordination polymers at different temperatures and their luminescence studies","CrystEngComm","2016","18","10","1825","","10.1039/C5CE02540K","","","0.71073","MoKα","","0.121","0.0729","","","0.1775","0.216","","","","","","1.014","","","","has coordinates","177747","2020-10-21","18:00:00",""
"7224129","9.502","0.005","11.646","0.005","13.277","0.005","84.836","0.005","73.449","0.005","84.18","0.005","1398.2","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H29 Cd N3 O8 -","- C30 H29 Cd N3 O8 -","- C60 H58 Cd2 N6 O16 -","2","1","","Pal, Sanchari; Pal, Tapan K.; Bharadwaj, Parimal K.","Solvothermal synthesis of coordination polymers at different temperatures and their luminescence studies","CrystEngComm","2016","18","10","1825","","10.1039/C5CE02540K","","","0.71073","MoKα","","0.0434","0.0385","","","0.0948","0.1016","","","","","","1.078","","","","has coordinates","177747","2020-10-21","18:00:00",""
"7224130","9.5536","0.0011","28.335","0.004","10.1074","0.0012","90","","107.415","0.003","90","","2610.7","0.6","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C27 H20 Co N2 O6 -","- C27 H20 Co N2 O6 -","- C108 H80 Co4 N8 O24 -","4","0.5","","Pal, Sanchari; Pal, Tapan K.; Bharadwaj, Parimal K.","Solvothermal synthesis of coordination polymers at different temperatures and their luminescence studies","CrystEngComm","2016","18","10","1825","","10.1039/C5CE02540K","","","0.71073","MoKα","","0.0539","0.05","","","0.1346","0.1377","","","","","","1.051","","","","has coordinates","177747","2020-10-21","18:00:00",""
"7224131","13.1143","0.0006","18.2637","0.0008","18.1148","0.0009","90","","91.971","0.001","90","","4336.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H54 Co3 N8 O18 -","- C66 H54 Co3 N8 O18 -","- C132 H108 Co6 N16 O36 -","2","0.5","","Pal, Sanchari; Pal, Tapan K.; Bharadwaj, Parimal K.","Solvothermal synthesis of coordination polymers at different temperatures and their luminescence studies","CrystEngComm","2016","18","10","1825","","10.1039/C5CE02540K","","","0.71073","MoKα","","0.0908","0.0579","","","0.1423","0.1528","","","","","","1.005","","","","has coordinates","177747","2020-10-21","18:00:00",""
"7224152","14.75","0.01","9.887","0.01","8.419","0.007","90","","90","","90","","1227.8","1.8","293","2","293","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C5 H13 Cl N6 S2 -","- C5 H13 Cl N6 S2 -","- C20 H52 Cl4 N24 S8 -","4","0.25","","Liu, Yu-Ling; Wang, Yu-Feng; Zhang, Wen","Switchable dielectric constant in an inclusion compound bis(thiourea) imidazolium chloride","CrystEngComm","2016","18","11","1958","","10.1039/C5CE02364E","","","0.71073","MoKα","","0.0585","0.0556","","","0.1348","0.1372","","","","","","1.077","","","","has coordinates","181610","2020-10-21","18:00:00",""
"7224153","14.674","0.009","9.779","0.006","8.412","0.005","90","","90","","90","","1207.1","1.3","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H13 Cl N6 S2 -","- C5 H13 Cl N6 S2 -","- C20 H52 Cl4 N24 S8 -","4","1","","Liu, Yu-Ling; Wang, Yu-Feng; Zhang, Wen","Switchable dielectric constant in an inclusion compound bis(thiourea) imidazolium chloride","CrystEngComm","2016","18","11","1958","","10.1039/C5CE02364E","","","0.71073","MoKα","","0.0393","0.0366","","","0.0806","0.0822","","","","","","1.021","","","","has coordinates","181610","2020-10-21","18:00:00",""
"7224154","14.7","0.013","9.771","0.008","8.414","0.007","90","","90","","90","","1208.5","1.8","143","2","143","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C5 H13 Cl N6 S2 -","- C5 H13 Cl N6 S2 -","- C20 H52 Cl4 N24 S8 -","4","0.5","","Liu, Yu-Ling; Wang, Yu-Feng; Zhang, Wen","Switchable dielectric constant in an inclusion compound bis(thiourea) imidazolium chloride","CrystEngComm","2016","18","11","1958","","10.1039/C5CE02364E","","","0.71073","MoKα","","0.0386","0.0374","","","0.0885","0.0893","","","","","","1.086","","","","has coordinates","181610","2020-10-21","18:00:00",""
"7224155","7.48","0.0015","23.63","0.005","12.47","0.003","90","","98.05","0.03","90","","2182.4","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H34 Cu4 N4 O15 -","- C50 H34 Cu4 N4 O15 -","- C100 H68 Cu8 N8 O30 -","2","0.5","","Song, Yang; Fan, Rui-Qing; Wang, Xin-Ming; Gao, Song; Du, Xi; Wang, Ping; Yang, Yu-Lin","Direct observation of a fast single-crystal-to-single-crystal transformation from a CuII-framework to a CuI-chain mediated by ascorbic acid","CrystEngComm","2016","18","11","1878","","10.1039/C6CE00132G","","","0.71073","MoKα","","0.0988","0.0839","","","0.2165","0.2322","","","","","","1.076","","","","has coordinates","181613","2020-10-21","18:00:00",""
"7224156","7.8383","0.0006","9.4782","0.0006","14.9216","0.0013","91.826","0.006","95.897","0.006","103.056","0.006","1072.46","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H34 Cu2 N4 O14 -","- C50 H34 Cu2 N4 O14 -","- C50 H34 Cu2 N4 O14 -","1","0.5","","Song, Yang; Fan, Rui-Qing; Wang, Xin-Ming; Gao, Song; Du, Xi; Wang, Ping; Yang, Yu-Lin","Direct observation of a fast single-crystal-to-single-crystal transformation from a CuII-framework to a CuI-chain mediated by ascorbic acid","CrystEngComm","2016","18","11","1878","","10.1039/C6CE00132G","","","0.71073","MoKα","","0.0803","0.0504","","","0.1071","0.1221","","","","","","1.007","","","","has coordinates","181613","2020-10-21","18:00:00",""
"7224157","11.598","0.002","19.518","0.004","15.301","0.003","90","","91.47","0.03","90","","3462.5","1.2","153.15","","153.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H100 N4 O21 V6 -","- C56 H100 N4 O21 V6 -","- C112 H200 N8 O42 V12 -","2","0.5","","Bayaguud, Aruuhan; Chen, Kun; Wei, Yongge","Facile synthesis of an organically-derivatized hexavanadate containing the remote amino group, TBA2[V6O13{(OCH2)3CNH2}2]","CrystEngComm","2016","18","22","4042","","10.1039/C5CE02534F","","","0.71073","MoKα","","0.0475","0.0431","","","0.101","0.104","","","","","","1.11","","","","has coordinates,has disorder","185175","2020-10-21","18:00:00",""
"7224158","10.381","0.002","12.311","0.003","9.6175","0.0019","90","","104.2","0.03","90","","1191.6","0.5","296","","296","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C8 H26 N2 O23 V6 -","- C8 H26 N2 O23 V6 -","- C16 H52 N4 O46 V12 -","2","0.25","","Bayaguud, Aruuhan; Chen, Kun; Wei, Yongge","Facile synthesis of an organically-derivatized hexavanadate containing the remote amino group, TBA2[V6O13{(OCH2)3CNH2}2]","CrystEngComm","2016","18","22","4042","","10.1039/C5CE02534F","","","0.71073","MoKα","","0.0297","0.0281","","","0.0767","0.0776","","","","","","1.128","","","","has coordinates","185175","2020-10-21","18:00:00",""
"7224168","25.151","0.003","10.4057","0.0013","30.589","0.005","90","","113.035","0.002","90","","7367.2","1.8","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C67 H56 N11 O35 Zn4 -","- C67 H38 N11 O26 Zn4 -","- C268 H152 N44 O104 Zn16 -","4","0.5","","Chen, Li-Zhuang; Pan, Qi-Jian; Cao, Xing-Xing; Wang, Fang-Ming","Crystal structure, magnetism, and dielectric properties based on the axially chiral ligand 2,2′-dinitro-4,4′-biphenyldicarboxylic acid","CrystEngComm","2016","18","11","1944","","10.1039/C5CE02426A","","","0.71073","MoKα","","0.1346","0.0849","","","0.23","0.256","","","","","","1.035","","","","has coordinates,has disorder","181606","2020-10-21","18:00:00",""
"7224169","21.687","0.003","18.249","0.002","22.474","0.004","90","","118.15","0.002","90","","7842","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H50 N12 Ni3 O28 -","- C72 H46 N12 Ni3 O26 -","- C288 H184 N48 Ni12 O104 -","4","0.5","","Chen, Li-Zhuang; Pan, Qi-Jian; Cao, Xing-Xing; Wang, Fang-Ming","Crystal structure, magnetism, and dielectric properties based on the axially chiral ligand 2,2′-dinitro-4,4′-biphenyldicarboxylic acid","CrystEngComm","2016","18","11","1944","","10.1039/C5CE02426A","","","0.71073","MoKα","","0.0912","0.0806","","","0.2122","0.2215","","","","","","1.03","","","","has coordinates,has disorder","181606","2020-10-21","18:00:00",""
"7224170","13.5739","0.0015","19.361","0.002","8.7636","0.0009","90","","96.151","0.001","90","","2289.9","0.4","293","2","293.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H14 N4 Ni O8.02 -","- C24 H14 N4 Ni O8 -","- C96 H56 N16 Ni4 O32 -","4","0.5","","Chen, Li-Zhuang; Pan, Qi-Jian; Cao, Xing-Xing; Wang, Fang-Ming","Crystal structure, magnetism, and dielectric properties based on the axially chiral ligand 2,2′-dinitro-4,4′-biphenyldicarboxylic acid","CrystEngComm","2016","18","11","1944","","10.1039/C5CE02426A","","","0.71073","MoKα","","0.0824","0.0692","","","0.191","0.2003","","","","","","1.085","","","","has coordinates","181606","2020-10-21","18:00:00",""
"7224171","13.827","0.003","19.685","0.004","8.9064","0.0017","90","","97.32","0.003","90","","2404.4","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H14 Mn N4 O8 -","- C24 H14 Mn N4 O8 -","- C96 H56 Mn4 N16 O32 -","4","0.5","","Chen, Li-Zhuang; Pan, Qi-Jian; Cao, Xing-Xing; Wang, Fang-Ming","Crystal structure, magnetism, and dielectric properties based on the axially chiral ligand 2,2′-dinitro-4,4′-biphenyldicarboxylic acid","CrystEngComm","2016","18","11","1944","","10.1039/C5CE02426A","","","0.71073","MoKα","","0.0777","0.0466","","","0.1042","0.1149","","","","","","1.109","","","","has coordinates,has disorder","181606","2020-10-21","18:00:00",""
"7224172","13.641","0.004","19.536","0.005","8.806","0.002","90","","96.639","0.003","90","","2331","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H7 Co0.5 N2 O4.18 -","- C12 H7 Co0.5 N2 O4.18 -","- C96 H56 Co4 N16 O33.44 -","8","1","","Chen, Li-Zhuang; Pan, Qi-Jian; Cao, Xing-Xing; Wang, Fang-Ming","Crystal structure, magnetism, and dielectric properties based on the axially chiral ligand 2,2′-dinitro-4,4′-biphenyldicarboxylic acid","CrystEngComm","2016","18","11","1944","","10.1039/C5CE02426A","","","0.71073","MoKα","","0.0564","0.0486","","","0.1288","0.1344","","","","","","1.086","","","","has coordinates,has disorder","181606","2020-10-21","18:00:00",""
"7224173","7.361","0.002","15.645","0.003","26.957","0.005","90","","90","","90","","3104.4","1.2","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H32 N4 Ni O17 -","- C24 H16 N4 Ni O9 -","- C96 H64 N16 Ni4 O36 -","4","1","","Chen, Li-Zhuang; Pan, Qi-Jian; Cao, Xing-Xing; Wang, Fang-Ming","Crystal structure, magnetism, and dielectric properties based on the axially chiral ligand 2,2′-dinitro-4,4′-biphenyldicarboxylic acid","CrystEngComm","2016","18","11","1944","","10.1039/C5CE02426A","","","0.71073","MoKα","","0.0881","0.0537","","","0.1093","0.1157","","","","","","1.152","","","","has coordinates","181606","2020-10-21","18:00:00",""
"7224174","7.9939","0.0002","9.0331","0.0004","11.1337","0.0005","89.976","0.004","83.248","0.003","85.245","0.003","795.6","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H40 N14 S4 -","- C22 H40 N14 S4 -","- C22 H40 N14 S4 -","1","0.5","","Taouss, Christina; Döring, Cindy; Jones, Peter G.; Pinkert, Lukas; Strey, Mark","Single crystals that spontaneously spawn other single crystals: a ternary and a binary adduct of thiourea and 2,5-dimethylpyrazine","CrystEngComm","2016","18","10","1842","","10.1039/C6CE00100A","","","0.71073","MoKα","","0.0499","0.0377","","","0.0814","0.0864","","","","","","1.047","","","","has coordinates","177742","2020-10-21","18:00:00",""
"7224175","8.3895","0.0003","9.1961","0.0003","15.9849","0.0006","103.892","0.003","97.021","0.003","90.97","0.003","1186.83","0.07","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H16 N4 O S -","- C8 H16 N4 O S -","- C32 H64 N16 O4 S4 -","4","2","","Taouss, Christina; Döring, Cindy; Jones, Peter G.; Pinkert, Lukas; Strey, Mark","Single crystals that spontaneously spawn other single crystals: a ternary and a binary adduct of thiourea and 2,5-dimethylpyrazine","CrystEngComm","2016","18","10","1842","","10.1039/C6CE00100A","","","1.54184","CuKα","","0.0374","0.0344","","","0.0956","0.0987","","","","","","1.043","","","","has coordinates","177742","2020-10-21","18:00:00",""
"7224176","7.7966","0.0005","9.0094","0.0005","10.8792","0.0007","89.053","0.005","85.454","0.005","83.906","0.005","757.45","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H34 N14 S4 -","- C19 H34 N14 S4 -","- C19 H34 N14 S4 -","1","0.5","","Taouss, Christina; Döring, Cindy; Jones, Peter G.; Pinkert, Lukas; Strey, Mark","Single crystals that spontaneously spawn other single crystals: a ternary and a binary adduct of thiourea and 2,5-dimethylpyrazine","CrystEngComm","2016","18","10","1842","","10.1039/C6CE00100A","","","0.71073","MoKα","","0.0397","0.0317","","","0.0749","0.0793","","","","","","1.05","","","","has coordinates,has disorder","177742","2020-10-21","18:00:00",""
"7224177","6.6617","0.0002","9.4643","0.0002","13.0807","0.0004","70.44","0.001","80.953","0.001","83.307","0.001","765.64","0.04","101","2","101","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H8 Cl2 I N2 O2 Ru -","- C12 H8 Cl2 I N2 O2 Ru -","- C24 H16 Cl4 I2 N4 O4 Ru2 -","2","1","","Ding, Xin; Tuikka, Matti J.; Hirva, Pipsa; Kukushkin, Vadim Yu.; Novikov, Alexander S.; Haukka, Matti","Fine-tuning halogen bonding properties of diiodine through halogen‒halogen charge transfer ‒ extended [Ru(2,2′-bipyridine)(CO)2X2]·I2systems (X = Cl, Br, I)","CrystEngComm","2016","18","11","1987","","10.1039/C5CE02396C","","","0.71073","MoKα","","0.0294","0.0211","","","0.044","0.0465","","","","","","1.018","","","","has coordinates","181611","2020-10-21","18:00:00",""
"7224178","6.6553","0.0001","16.3426","0.0004","10.2145","0.0002","90","","97.865","0.001","90","","1100.53","0.04","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C13 H9 Br2 Cl3 I4 N2 O2 Ru -","- C13 H9 Br2 Cl3 I2 N2 O2 Ru -","- C26 H18 Br4 Cl6 I4 N4 O4 Ru2 -","2","1","","Ding, Xin; Tuikka, Matti J.; Hirva, Pipsa; Kukushkin, Vadim Yu.; Novikov, Alexander S.; Haukka, Matti","Fine-tuning halogen bonding properties of diiodine through halogen‒halogen charge transfer ‒ extended [Ru(2,2′-bipyridine)(CO)2X2]·I2systems (X = Cl, Br, I)","CrystEngComm","2016","18","11","1987","","10.1039/C5CE02396C","","","0.71073","MoKα","","0.0308","0.0239","","","0.0542","0.0558","","","","","","0.994","","","","has coordinates","181611","2020-10-21","18:00:00",""
"7224179","15.6811","0.0006","7.3656","0.0003","9.4737","0.0004","90","","90","","90","","1094.22","0.08","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C12 H8 I6 N2 O2 Ru -","- C12 H8 I6 N2 O2 Ru -","- C24 H16 I12 N4 O4 Ru2 -","2","0.5","","Ding, Xin; Tuikka, Matti J.; Hirva, Pipsa; Kukushkin, Vadim Yu.; Novikov, Alexander S.; Haukka, Matti","Fine-tuning halogen bonding properties of diiodine through halogen‒halogen charge transfer ‒ extended [Ru(2,2′-bipyridine)(CO)2X2]·I2systems (X = Cl, Br, I)","CrystEngComm","2016","18","11","1987","","10.1039/C5CE02396C","","","0.71073","MoKα","","0.0208","0.0193","","","0.04","0.0404","","","","","","1.088","","","","has coordinates","181611","2020-10-21","18:00:00",""
"7224180","9.0961","0.0016","10.371","0.003","10.572","0.003","112.39","0.03","93.49","0.03","90.7","0.02","919.7","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H8 I4 N2 O2 Ru -","- C12 H8 I4 N2 O2 Ru -","- C24 H16 I8 N4 O4 Ru2 -","2","1","","Ding, Xin; Tuikka, Matti J.; Hirva, Pipsa; Kukushkin, Vadim Yu.; Novikov, Alexander S.; Haukka, Matti","Fine-tuning halogen bonding properties of diiodine through halogen‒halogen charge transfer ‒ extended [Ru(2,2′-bipyridine)(CO)2X2]·I2systems (X = Cl, Br, I)","CrystEngComm","2016","18","11","1987","","10.1039/C5CE02396C","","","0.71073","MoKα","","0.0478","0.0338","","","0.0879","0.0955","","","","","","1.051","","","","has coordinates","181611","2020-10-21","18:00:00",""
"7224181","11.6841","0.0006","11.4179","0.0006","17.2077","0.0009","90","","105.946","0.001","90","","2207.3","0.2","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C13 H9 Br Cl3 I3 N2 O2 Ru -","- C13 H9 Br2 Cl3 I2 N2 O2 Ru -","- C52 H36 Br8 Cl12 I8 N8 O8 Ru4 -","4","1","","Ding, Xin; Tuikka, Matti J.; Hirva, Pipsa; Kukushkin, Vadim Yu.; Novikov, Alexander S.; Haukka, Matti","Fine-tuning halogen bonding properties of diiodine through halogen‒halogen charge transfer ‒ extended [Ru(2,2′-bipyridine)(CO)2X2]·I2systems (X = Cl, Br, I)","CrystEngComm","2016","18","11","1987","","10.1039/C5CE02396C","","","0.71073","MoKα","","0.0309","0.0204","","","0.0454","0.0494","","","","","","1.052","","","","has coordinates","181611","2020-10-21","18:00:00",""
"7224182","6.4683","0.0003","12.3842","0.0005","21.1414","0.0009","89.106","0.002","83.451","0.002","87.535","0.002","1680.82","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H10 Cl4 N2 O2 Ru -","- C13 H10 Cl4 N2 O2 Ru -","- C52 H40 Cl16 N8 O8 Ru4 -","4","2","","Ding, Xin; Tuikka, Matti J.; Hirva, Pipsa; Kukushkin, Vadim Yu.; Novikov, Alexander S.; Haukka, Matti","Fine-tuning halogen bonding properties of diiodine through halogen‒halogen charge transfer ‒ extended [Ru(2,2′-bipyridine)(CO)2X2]·I2systems (X = Cl, Br, I)","CrystEngComm","2016","18","11","1987","","10.1039/C5CE02396C","","","0.71073","MoKα","","0.0412","0.0297","","","0.0703","0.0772","","","","","","1.035","","","","has coordinates","181611","2020-10-21","18:00:00",""
"7224183","8.3627","0.0006","6.9269","0.0005","12.705","0.0009","90","","103.49","0.002","90","","715.67","0.09","100","2","100","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C12 H8 Br2 N2 O2 Ru -","- C12 H8 Br2 N2 O2 Ru -","- C24 H16 Br4 N4 O4 Ru2 -","2","1","","Ding, Xin; Tuikka, Matti J.; Hirva, Pipsa; Kukushkin, Vadim Yu.; Novikov, Alexander S.; Haukka, Matti","Fine-tuning halogen bonding properties of diiodine through halogen‒halogen charge transfer ‒ extended [Ru(2,2′-bipyridine)(CO)2X2]·I2systems (X = Cl, Br, I)","CrystEngComm","2016","18","11","1987","","10.1039/C5CE02396C","","","0.71073","MoKα","","0.0272","0.0235","","","0.0552","0.0564","","","","","","1.011","","","","has coordinates","181611","2020-10-21","18:00:00",""
"7224184","13.7231","0.0015","11.922","0.0013","18.0712","0.0019","90","","90","","90","","2956.6","0.6","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H8 I2 N2 O2 Ru -","- C12 H8 I2 N2 O2 Ru -","- C96 H64 I16 N16 O16 Ru8 -","8","1","","Ding, Xin; Tuikka, Matti J.; Hirva, Pipsa; Kukushkin, Vadim Yu.; Novikov, Alexander S.; Haukka, Matti","Fine-tuning halogen bonding properties of diiodine through halogen‒halogen charge transfer ‒ extended [Ru(2,2′-bipyridine)(CO)2X2]·I2systems (X = Cl, Br, I)","CrystEngComm","2016","18","11","1987","","10.1039/C5CE02396C","","","0.71073","MoKα","","0.0324","0.0235","","","0.049","0.0522","","","","","","1.079","","","","has coordinates","181611","2020-10-21","18:00:00",""
"7224185","16.2","0.01","7.378","0.007","8.793","0.006","90","","105.079","0.03","90","","1014.8","1.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","isoniazid-adipic acid cocrystal II","","- C18 H24 N6 O6 -","- C18 H24 N6 O6 -","- C36 H48 N12 O12 -","2","0.5","","Sarceviča, I.; Kons, A.; Orola, L.","Isoniazid cocrystallisation with dicarboxylic acids: vapochemical, mechanochemical and thermal methods","CrystEngComm","2016","18","9","1625","","10.1039/C5CE01774B","powder diffraction","","1.5418","CuKα","","","","","","","","","","7.9","","","","","","","has coordinates","177768","2020-10-21","18:00:00",""
"7224194","18.1183","0.0003","19.5986","0.0004","24.7135","0.0005","75.385","0.0007","83.625","0.0006","74.064","0.0011","8157.1","0.3","173","","173","","","","","","","","","7","P -1","-P 1","2","n-Ag2[C-ethyl tetramethoxy resorcinarene bis-thiacrown][trifluoroacetate]2 dichloromethane ethanol solvate hydrate","n-Ag2[C-ethyl tetramethoxy resorcinarene bis-thiacrown][trifluoroacetate]2 dichloromethane ethanol solvate hydrate","","- C135 H202 Ag4 Cl6 F12 O34 S12 -","- C133 H188 Ag4 Cl6 F12 O33 S12 -","- C266 H376 Ag8 Cl12 F24 O66 S24 -","2","1","","Helttunen, Kaisa; Nissinen, Maija","Inverted molecular cups: 1-D and 2-D Ag(i) coordination polymers from resorcinarene bis-thiacrowns","CrystEngComm","2016","18","26","4944","","10.1039/C6CE00243A","","","0.71073","MoKα","","0.1226","0.0952","","","0.2465","0.2636","","","","","","1.071","","","","has coordinates,has disorder","185197","2020-10-21","18:00:00",""
"7224195","14.4639","0.0003","17.1573","0.0005","19.8936","0.0008","67.754","0.003","71.544","0.003","88.853","0.002","4306.2","0.3","120","0.1","120","0.1","","","","","","","","6","P -1","-P 1","2","n-Ag3[C-ethyl tetramethoxy resorcinarene bis-thiacrown][trifluoroacetate]3 ethanol solvate hydrate","n-Ag3[C-ethyl tetramethoxy resorcinarene bis-thiacrown][trifluoroacetate]3 ethanol solvate hydrate","","- C72 H107 Ag3 F9 O19.5 S6 -","- C72 H106 Ag3 F9 O19.5 S6 -","- C144 H212 Ag6 F18 O39 S12 -","2","1","","Helttunen, Kaisa; Nissinen, Maija","Inverted molecular cups: 1-D and 2-D Ag(i) coordination polymers from resorcinarene bis-thiacrowns","CrystEngComm","2016","18","26","4944","","10.1039/C6CE00243A","","x-ray","1.54184","CuKα","","0.0996","0.0856","","","0.2508","0.272","","","","","","1.035","","","","has coordinates,has disorder","185197","2020-10-21","18:00:00",""
"7224196","14.9657","0.0003","31.1456","0.0007","22.3769","0.0006","90","","94.729","0.002","90","","10394.7","0.4","120","0.1","120","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","n-Ag4.5[C-pentyl tetramethoxy resorcinarene bis-thiacrown][trifluoroacetate]4.5 ethanol solvate hydrate","n-Ag4.5[C-pentyl tetramethoxy resorcinarene bis-thiacrown][trifluoroacetate]4.5 ethanol solvate hydrate","","- C79 H111 Ag4.5 F13.5 O20.5 S6 -","- C79 H105.5 Ag4.5 F13.5 O20.5 S6 -","- C316 H422 Ag18 F54 O82 S24 -","4","1","","Helttunen, Kaisa; Nissinen, Maija","Inverted molecular cups: 1-D and 2-D Ag(i) coordination polymers from resorcinarene bis-thiacrowns","CrystEngComm","2016","18","26","4944","","10.1039/C6CE00243A","","","1.54184","CuKα","","0.1187","0.0918","","","0.261","0.2876","","","","","","1.04","","","","has coordinates,has disorder","185197","2020-10-21","18:00:00",""
"7224197","17.7963","0.0006","20.7997","0.0006","24.3087","0.0005","92.255","0.002","98.785","0.002","106.258","0.003","8504.9","0.4","123","0.1","123","0.1","","","","","","","","6","P -1","-P 1","2","n-Ag5[C-pentyl tetramethoxy resorcinarene bis-thiacrown]2[trifluoroacetate]5 ethanol solvate hydrate","n-Ag5[C-pentyl tetramethoxy resorcinarene bis-thiacrown]2[trifluoroacetate]5 ethanol solvate hydrate","","- C153 H227 Ag5 F15 O32.5 S8 -","- C153 H225 Ag5 F15 O32.5 S8 -","- C306 H450 Ag10 F30 O65 S16 -","2","1","","Helttunen, Kaisa; Nissinen, Maija","Inverted molecular cups: 1-D and 2-D Ag(i) coordination polymers from resorcinarene bis-thiacrowns","CrystEngComm","2016","18","26","4944","","10.1039/C6CE00243A","","","1.54184","CuKα","","0.1131","0.0739","","","0.197","0.2279","","","","","","0.991","","","","has coordinates,has disorder","185197","2020-10-21","18:00:00",""
"7224206","11.5457","0.0004","13.4021","0.0005","29.7173","0.0012","90","","95.335","0.004","90","","4578.4","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.0756","0.0428","","","0.0761","0.0863","","","","","","1.001","","","","has coordinates","185167","2020-10-21","18:00:00",""
"7224207","11.4775","0.0004","13.3647","0.0005","29.9849","0.0008","90","","94.569","0.003","90","","4584.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.0785","0.0428","","","0.079","0.0901","","","","","","1.01","","","","has coordinates","185167","2020-10-21","18:00:00",""
"7224208","11.5673","0.0012","13.4937","0.0008","30.088","0.003","90","","93.738","0.01","90","","4686.3","0.7","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.1413","0.065","","","0.1106","0.1395","","","","","","0.989","","","","has coordinates","185167","2020-10-21","18:00:00",""
"7224209","11.583","0.0005","13.5168","0.0004","30.1137","0.0011","90","","93.57","0.004","90","","4705.6","0.3","220","2","220","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.0955","0.0505","","","0.0966","0.1141","","","","","","0.991","","","","has coordinates","185167","2020-10-21","18:00:00",""
"7224210","11.5844","0.0006","13.5468","0.0005","30.1451","0.0011","90","","93.333","0.004","90","","4722.7","0.3","240","2","240","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.0997","0.0513","","","0.1053","0.1244","","","","","","1.007","","","","has coordinates","185167","2020-10-21","18:00:00",""
"7224211","11.6183","0.0007","13.554","0.0005","30.111","0.002","90","","93.455","0.005","90","","4733.1","0.5","250","2","250","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.1325","0.0595","","","0.1085","0.1357","","","","","","1.009","","","","has coordinates,has disorder","185167","2020-10-21","18:00:00",""
"7224212","11.65","0.0005","13.5543","0.0006","30.068","0.0012","90","","93.859","0.004","90","","4737.2","0.3","260","2","260","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.0964","0.0491","","","0.0888","0.104","","","","","","1.006","","","","has coordinates","185167","2020-10-21","18:00:00",""
"7224213","11.5238","0.0007","13.4068","0.0005","29.8526","0.0013","90","","95.231","0.005","90","","4592.9","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.1061","0.0534","","","0.0946","0.1117","","","","","","1.001","","","","has coordinates,has disorder","185167","2020-10-21","18:00:00",""
"7224214","11.5241","0.0006","13.4062","0.0004","29.8989","0.0011","90","","95.061","0.004","90","","4601.2","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.096","0.051","","","0.0898","0.1048","","","","","","1.009","","","","has coordinates,has disorder","185167","2020-10-21","18:00:00",""
"7224215","11.4898","0.0007","13.3882","0.0005","29.98","0.0013","90","","94.753","0.005","90","","4595.9","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.1051","0.0534","","","0.0953","0.1134","","","","","","1.001","","","","has coordinates,has disorder","185167","2020-10-21","18:00:00",""
"7224216","11.4937","0.0003","13.381","0.0004","29.9575","0.001","90","","94.717","0.003","90","","4591.8","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.0748","0.0466","","","0.0929","0.1046","","","","","","1.023","","","","has coordinates,has disorder","185167","2020-10-21","18:00:00",""
"7224217","11.4854","0.0003","13.3693","0.0003","30.0108","0.0008","90","","94.639","0.002","90","","4593.1","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.0513","0.0329","","","0.0667","0.0728","","","","","","1.007","","","","has coordinates","185167","2020-10-21","18:00:00",""
"7224218","11.5322","0.0004","13.4261","0.0005","30.0361","0.0011","90","","94.162","0.004","90","","4638.3","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.0968","0.0514","","","0.0902","0.1054","","","","","","1.012","","","","has coordinates","185167","2020-10-21","18:00:00",""
"7224219","11.5569","0.0005","13.4632","0.0005","30.0545","0.0013","90","","93.906","0.004","90","","4665.4","0.3","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.1115","0.0537","","","0.0908","0.109","","","","","","1.011","","","","has coordinates","185167","2020-10-21","18:00:00",""
"7224220","11.5703","0.0005","13.4876","0.0006","30.0621","0.0014","90","","93.739","0.005","90","","4681.4","0.4","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.1202","0.0571","","","0.0914","0.1101","","","","","","1.006","","","","has coordinates","185167","2020-10-21","18:00:00",""
"7224221","11.6115","0.0007","13.5033","0.0007","29.982","0.0017","90","","93.955","0.005","90","","4689.8","0.5","220","2","220","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.1383","0.0628","","","0.1065","0.1333","","","","","","1","","","","has coordinates,has disorder","185167","2020-10-21","18:00:00",""
"7224222","11.646","0.0006","13.5277","0.0007","30.0138","0.0015","90","","93.953","0.005","90","","4717.2","0.4","240","2","240","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.136","0.0596","","","0.0903","0.112","","","","","","1.002","","","","has coordinates","185167","2020-10-21","18:00:00",""
"7224223","11.6422","0.0005","13.5412","0.0006","30.0467","0.0011","90","","93.985","0.004","90","","4725.4","0.3","250","2","250","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.0913","0.0474","","","0.0889","0.1029","","","","","","1.001","","","","has coordinates","185167","2020-10-21","18:00:00",""
"7224224","11.6538","0.0006","13.5552","0.0007","30.0383","0.0016","90","","93.725","0.005","90","","4735.1","0.4","260","2","260","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Nitro-(N,N,N',N'-tetrabutyldiethylenetriamine)palladium(II)tetraphenylborate, tetrahydrofuran solvate","","- C48 H73 B N4 O3 Pd -","- C48 H73 B N4 O3 Pd -","- C192 H292 B4 N16 O12 Pd4 -","4","1","","Hatcher, Lauren E.","Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-N̲O2)]+approaches ambient temperature","CrystEngComm","2016","18","22","4180","","10.1039/C5CE02434J","","","0.71073","MoKα","","0.1492","0.0601","","","0.0904","0.1157","","","","","","0.983","","","","has coordinates","185167","2020-10-21","18:00:00",""
"7224225","13.691","0.004","22.544","0.006","11.572","0.003","90","","96.98","0.05","90","","3545.2","1.7","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1","","- C30 H52 N6 O17 -","- C30 H38 N6 O17 -","- C120 H152 N24 O68 -","4","0.5","","Aríñez-Soriano, J.; Albalad, J.; Pérez-Carvajal, J.; Imaz, I.; Busqué, F.; Juanhuix, J.; Maspoch, D.","Two-step synthesis of heterometallic coordination polymers using a polyazamacrocyclic linker","CrystEngComm","2016","18","22","4196","","10.1039/C5CE02520F","","","0.71073","MoKα","","0.1222","0.1019","","","0.2549","0.2711","","","","","","1.069","","","","has coordinates","185170","2020-10-21","18:00:00",""
"7224226","11.73","0.003","19.81","0.005","17.13","0.004","90","","105.77","0.03","90","","3830.7","1.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3","","- C30 H45 Mn N6 Na O21 -","- C30 H35 Mn N6 Na O20.5 -","- C120 H140 Mn4 N24 Na4 O82 -","4","1","","Aríñez-Soriano, J.; Albalad, J.; Pérez-Carvajal, J.; Imaz, I.; Busqué, F.; Juanhuix, J.; Maspoch, D.","Two-step synthesis of heterometallic coordination polymers using a polyazamacrocyclic linker","CrystEngComm","2016","18","22","4196","","10.1039/C5CE02520F","","","0.6889","synchrotron","","0.1105","0.1048","","","0.2944","0.3013","","","","","","1.064","","","","has coordinates","185170","2020-10-21","18:00:00",""
"7224227","18.78","0.004","18.11","0.004","9.2","0.002","90","","106.22","0.05","90","","3004.4","1.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4","","- C30 H38 N6 Ni O11 -","- C30 H36 N6 Ni O11 -","- C120 H144 N24 Ni4 O44 -","4","0.5","","Aríñez-Soriano, J.; Albalad, J.; Pérez-Carvajal, J.; Imaz, I.; Busqué, F.; Juanhuix, J.; Maspoch, D.","Two-step synthesis of heterometallic coordination polymers using a polyazamacrocyclic linker","CrystEngComm","2016","18","22","4196","","10.1039/C5CE02520F","","","0.6889","synchrotron","","0.1095","0.0841","","","0.2394","0.2671","","","","","","1.085","","","","has coordinates","185170","2020-10-21","18:00:00",""
"7224228","10.83","0.016","18.48","0.002","16.55","0.002","90","","103.9","0.02","90","","3215","5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5","","- C30 H40 N6 O14 Zn2 -","- C30 H34 N6 O14 Zn2 -","- C120 H136 N24 O56 Zn8 -","4","1","","Aríñez-Soriano, J.; Albalad, J.; Pérez-Carvajal, J.; Imaz, I.; Busqué, F.; Juanhuix, J.; Maspoch, D.","Two-step synthesis of heterometallic coordination polymers using a polyazamacrocyclic linker","CrystEngComm","2016","18","22","4196","","10.1039/C5CE02520F","","","0.6889","synchrotronradiation","","0.1989","0.0951","","","0.2204","0.2896","","","","","","1.018","","","","has coordinates","185170","2020-10-21","18:00:00",""
"7224229","11.36","0.003","22.08","0.003","15.56","0.003","90","","90.2","0.03","90","","3902.9","1.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","6","","- C30 H50 N6 Ni O19 Zn -","- C30 H34 N6 Ni O19 Zn -","- C120 H136 N24 Ni4 O76 Zn4 -","4","1","","Aríñez-Soriano, J.; Albalad, J.; Pérez-Carvajal, J.; Imaz, I.; Busqué, F.; Juanhuix, J.; Maspoch, D.","Two-step synthesis of heterometallic coordination polymers using a polyazamacrocyclic linker","CrystEngComm","2016","18","22","4196","","10.1039/C5CE02520F","","","0.70109","synchrotronradiation","","0.1127","0.1057","","","0.3426","0.3522","","","","","","1.669","","","","has coordinates","185170","2020-10-21","18:00:00",""
"7224230","37","0.004","12.5","0.004","18.68","0.004","90","","111.4","0.03","90","","8044","4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","7","","- C30 H52 Mn N6 O20 Zn -","- C30 H34 Mn N6 O20 Zn -","- C240 H272 Mn8 N48 O160 Zn8 -","8","1","","Aríñez-Soriano, J.; Albalad, J.; Pérez-Carvajal, J.; Imaz, I.; Busqué, F.; Juanhuix, J.; Maspoch, D.","Two-step synthesis of heterometallic coordination polymers using a polyazamacrocyclic linker","CrystEngComm","2016","18","22","4196","","10.1039/C5CE02520F","","","0.70109","synchrotronradiation","","0.1171","0.1041","","","0.3237","0.345","","","","","","1.562","","","","has coordinates","185170","2020-10-21","18:00:00",""
"7224231","4.9477","0.0002","10.5762","0.0005","13.8911","0.0007","109.507","0.005","95.486","0.004","101.807","0.004","660","0.06","120","1","120","2","","","","","","","see text","4","P -1","-P 1","2","","111 GASM 14D sovate","","- C13 H15 N O8 -","- C13 H15 N O8 -","- C26 H30 N2 O16 -","2","1","","Kaur, Ramanpreet; Cherukuvada, Suryanarayan; Managutti, Praveen B.; Row, Tayur N. Guru","A gallic acid‒succinimide co-crystal landscape: polymorphism, pseudopolymorphism, variable stoichiometry co-crystals and concomitant growth of non-solvated and solvated co-crystals","CrystEngComm","2016","18","18","3191","","10.1039/C5CE01965F","","x-ray","0.71073","MoKα","","0.0389","0.034","","","0.0831","0.0862","","","","","","1.035","","","","has coordinates","182636","2020-10-21","18:00:00",""
"7224232","4.7352","0.0002","16.3413","0.0005","15.6208","0.0009","90","","91.454","0.004","90","","1208.34","0.09","110","2","110","2","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","111 GASM hydrate","","- C11 H13 N O8 -","- C11 H13 N O8 -","- C44 H52 N4 O32 -","4","1","","Kaur, Ramanpreet; Cherukuvada, Suryanarayan; Managutti, Praveen B.; Row, Tayur N. Guru","A gallic acid‒succinimide co-crystal landscape: polymorphism, pseudopolymorphism, variable stoichiometry co-crystals and concomitant growth of non-solvated and solvated co-crystals","CrystEngComm","2016","18","18","3191","","10.1039/C5CE01965F","","x-ray","0.71073","MoKα","","0.0728","0.046","","","0.0873","0.1005","","","","","","1.012","","","","has coordinates","182636","2020-10-21","18:00:00",""
"7224233","8.0698","0.0004","10.3449","0.0006","15.3908","0.001","102.993","0.005","91.11","0.005","109.434","0.005","1174.4","0.13","120","1","120","1","","","","","","","see text","4","P -1","-P 1","2","","221 GASM hydrate","","- C11 H12 N O7.5 -","- C11 H12 N O7.5 -","- C44 H48 N4 O30 -","4","2","","Kaur, Ramanpreet; Cherukuvada, Suryanarayan; Managutti, Praveen B.; Row, Tayur N. Guru","A gallic acid‒succinimide co-crystal landscape: polymorphism, pseudopolymorphism, variable stoichiometry co-crystals and concomitant growth of non-solvated and solvated co-crystals","CrystEngComm","2016","18","18","3191","","10.1039/C5CE01965F","","x-ray","0.71073","MoKα","","0.0741","0.0561","","","0.1406","0.1574","","","","","","1.06","","","","has coordinates","182636","2020-10-21","18:00:00",""
"7224234","11.4899","0.0007","13.1674","0.0007","13.3084","0.001","67.527","0.006","67.492","0.007","64.74","0.006","1623.5","0.2","110","2","110","2","","","","","","","see text","4","P -1","-P 1","2","","421 GASM hydrate","","- C15 H17 N2 O9.5 -","- C15 H17 N2 O9.5 -","- C60 H68 N8 O38 -","4","2","","Kaur, Ramanpreet; Cherukuvada, Suryanarayan; Managutti, Praveen B.; Row, Tayur N. Guru","A gallic acid‒succinimide co-crystal landscape: polymorphism, pseudopolymorphism, variable stoichiometry co-crystals and concomitant growth of non-solvated and solvated co-crystals","CrystEngComm","2016","18","18","3191","","10.1039/C5CE01965F","","x-ray","0.71073","MoKα","","0.0581","0.0441","","","0.108","0.1202","","","","","","1.053","","","","has coordinates","182636","2020-10-21","18:00:00",""
"7224235","8.2761","0.0004","11.6893","0.0006","14.7645","0.0007","108.269","0.004","97.664","0.004","101.744","0.004","1297.75","0.12","110","0.1","110","2","","","","","","","see text","4","P -1","-P 1","2","","221 GASM Act solvate","","- C12.5 H14 N O7.5 -","- C12.5 H14 N O7.5 -","- C50 H56 N4 O30 -","4","2","","Kaur, Ramanpreet; Cherukuvada, Suryanarayan; Managutti, Praveen B.; Row, Tayur N. Guru","A gallic acid‒succinimide co-crystal landscape: polymorphism, pseudopolymorphism, variable stoichiometry co-crystals and concomitant growth of non-solvated and solvated co-crystals","CrystEngComm","2016","18","18","3191","","10.1039/C5CE01965F","","x-ray","0.71073","MoKα","","0.0495","0.0404","","","0.1039","0.1106","","","","","","1.037","","","","has coordinates","182636","2020-10-21","18:00:00",""
"7224236","9.1318","0.0004","14.0453","0.0006","15.5062","0.0007","79.362","0.004","85.337","0.003","79.211","0.003","1917.82","0.15","110","2","110","2","","","","","","","see text","4","P -1","-P 1","2","","331 GASM EtOAc solvate","","- C37 H39 N3 O23 -","- C37 H39 N3 O23 -","- C74 H78 N6 O46 -","2","1","","Kaur, Ramanpreet; Cherukuvada, Suryanarayan; Managutti, Praveen B.; Row, Tayur N. Guru","A gallic acid‒succinimide co-crystal landscape: polymorphism, pseudopolymorphism, variable stoichiometry co-crystals and concomitant growth of non-solvated and solvated co-crystals","CrystEngComm","2016","18","18","3191","","10.1039/C5CE01965F","","x-ray","0.71073","MoKα","","0.1053","0.0591","","","0.1542","0.1873","","","","","","1.019","","","","has coordinates","182636","2020-10-21","18:00:00",""
"7224237","5.927","0.005","8.342","0.005","13.899","0.005","79.829","0.005","84.029","0.005","77.411","0.005","658.6","0.7","110","0.1","110","0.1","","","","","","","see text","4","P 1","P 1","1","","221 GASM THF solvate","","- C13 H15 N O7.5 -","- C13 H15 N O7.5 -","- C26 H30 N2 O15 -","2","2","","Kaur, Ramanpreet; Cherukuvada, Suryanarayan; Managutti, Praveen B.; Row, Tayur N. Guru","A gallic acid‒succinimide co-crystal landscape: polymorphism, pseudopolymorphism, variable stoichiometry co-crystals and concomitant growth of non-solvated and solvated co-crystals","CrystEngComm","2016","18","18","3191","","10.1039/C5CE01965F","","x-ray","0.71073","MoKα","","0.0558","0.0442","","","0.1071","0.1172","","","","","","1.035","","","","has coordinates","182636","2020-10-21","18:00:00",""
"7224244","38.3937","0.0002","38.3937","0.0002","38.3937","0.0002","90","","90","","90","","56595.2","0.5","150","2","150","2","","","","","","","","7","I m -3 m","-I 4 2 3","229","","Ir-POF-1","","- C144 H72 Cl3 Ir3 N12 O64 Zr12 -","- C144 H72 Cl3 Ir3 N12 O64 Zr12 -","- C576 H288 Cl12 Ir12 N48 O256 Zr48 -","4","0.0416667","","Cui, Hao; Wang, Yingxia; Wang, Yanhu; Fan, Yan-Zhong; Zhang, Li; Su, Cheng-Yong","A stable and porous iridium(iii)-porphyrin metal‒organic framework: synthesis, structure and catalysis","CrystEngComm","2016","18","12","2203","","10.1039/C6CE00358C","","","1.54178","","","0.0919","0.0763","","","0.2396","0.2559","","","","","","1.063","","","","has coordinates","181598","2020-10-21","18:00:00",""
"7224255","8.813","0.002","23.763","0.005","14.62","0.003","90","","91.91","0.02","90","","3060.1","1.1","103","2","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H48 I6 N10 O9 Zn2 -","- C55 H48 I6 N10 O9 Zn2 -","- C110 H96 I12 N20 O18 Zn4 -","2","0.5","","Fernandez-Palacio, Francisco; Saccone, Marco; Priimagi, Arri; Terraneo, Giancarlo; Pilati, Tullio; Metrangolo, Pierangelo; Resnati, Giuseppe","Coordination networks incorporating halogen-bond donor sites and azobenzene groups","CrystEngComm","2016","18","13","2251","","10.1039/C6CE00059B","","","0.71073","MoKα","","0.0772","0.0493","","","0.1041","0.1149","","","","","","1.04","","","","has coordinates,has disorder","181591","2020-10-21","18:00:00",""
"7224256","24.0554","0.0018","11.3346","0.0009","22.9563","0.0018","90","","98.893","0.008","90","","6184","0.8","103","2","103","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C58 H52 I6 N12 O10 Zn -","- C58 H52 I6 N12 O10 Zn -","- C232 H208 I24 N48 O40 Zn4 -","4","0.5","","Fernandez-Palacio, Francisco; Saccone, Marco; Priimagi, Arri; Terraneo, Giancarlo; Pilati, Tullio; Metrangolo, Pierangelo; Resnati, Giuseppe","Coordination networks incorporating halogen-bond donor sites and azobenzene groups","CrystEngComm","2016","18","13","2251","","10.1039/C6CE00059B","","","0.71073","MoKα","","0.0626","0.0475","","","0.1215","0.1298","","","","","","1.037","","","","has coordinates,has disorder","181591","2020-10-21","18:00:00",""
"7224257","10.1389","0.0005","14.9139","0.0008","23.1236","0.0012","90","","95.194","0.002","90","","3482.2","0.3","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33.42 H35.65 N6.81 O5.81 Zn -","- C33.421 H35.649 N6.807 O5.807 Zn -","- C133.684 H142.596 N27.228 O23.228 Zn4 -","4","1","","Fernandez-Palacio, Francisco; Saccone, Marco; Priimagi, Arri; Terraneo, Giancarlo; Pilati, Tullio; Metrangolo, Pierangelo; Resnati, Giuseppe","Coordination networks incorporating halogen-bond donor sites and azobenzene groups","CrystEngComm","2016","18","13","2251","","10.1039/C6CE00059B","","","0.71073","MoKα","","0.1145","0.0789","","","0.2271","0.2566","","","","","","1.057","","","","has coordinates,has disorder","181591","2020-10-21","18:00:00",""
"7224258","19.4674","0.0004","5.92693","0.00011","31.1266","0.0007","90","","90","","90","","3591.45","0.13","223","2","223","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C32 H32 O23 Zn3 -","- C32 H32 O23 Zn3 -","- C128 H128 O92 Zn12 -","4","1","","Ohtani, Masataka; Takase, Kazutaka; Wang, Pengyu; Higashi, Kouki; Ueno, Kimiyoshi; Yasuda, Nobuhiro; Sugimoto, Kunihisa; Furuta, Mamoru; Kobiro, Kazuya","Water-triggered macroscopic structural transformation of a metal‒organic framework","CrystEngComm","2016","18","11","1866","","10.1039/C6CE00031B","","","0.78202","Synchrotron","","0.0319","0.0287","","","0.0658","0.0682","","","","","","1.069","","","","has coordinates,has disorder","181609","2020-10-21","18:00:00",""
"7224263","14.3465","0.0007","22.44","0.0011","19.3715","0.0011","90","","92.822","0.004","90","","6228.8","0.6","300","","300","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H30 B16 Co2 N2 O10 -","- C14 H30 B16 Co2 N2 O10 -","- C112 H240 B128 Co16 N16 O80 -","8","1","","Boldog, Ishtvan; Bereciartua, Pablo J.; Bulánek, Roman; Kučeráková, Monika; Tomandlová, Markéta; Dušek, Michal; Macháček, Jan; De Vos, Dirk; Baše, Tomáš","10-Vertex closo-carborane: a unique ligand platform for porous coordination polymers","CrystEngComm","2016","18","12","2036","","10.1039/C5CE02501J","","x-ray","1.5418","CuKα","","0.1386","0.0809","","","0.1916","0.2055","","","","2.91","2.91","2.22","","","","has coordinates","288070","2023-12-06","12:58:05",""
"7224264","31.1622","0.0012","31.1622","0.0012","11.1615","0.0005","90","","90","","90","","10838.7","0.8","299","1","299","","","","","","","","","5","I 41 m d","I 4bw -2","109","","","","- C11 H16 B16 Cu2 O11.4 -","- C11 H16 B16 Cu2 O11.4 -","- C88 H128 B128 Cu16 O91.2 -","8","0.5","","Boldog, Ishtvan; Bereciartua, Pablo J.; Bulánek, Roman; Kučeráková, Monika; Tomandlová, Markéta; Dušek, Michal; Macháček, Jan; De Vos, Dirk; Baše, Tomáš","10-Vertex closo-carborane: a unique ligand platform for porous coordination polymers","CrystEngComm","2016","18","12","2036","","10.1039/C5CE02501J","","x-ray","1.5418","CuKα","","0.1049","0.0928","","","0.1924","0.1945","","","","4.53","4.53","4.16","","","","has coordinates","181597","2020-10-21","18:00:00",""
"7224265","20.8189","0.0004","23.3745","0.0005","12.7036","0.0003","90","","90","","90","","6182","0.2","150","0.1","150","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C27.512 H58.127 B24 N3.102 O16.102 Zn4 -","- C27.515 H58.133 B24 N3.103 O16.103 Zn4 -","- C110.06 H232.532 B96 N12.412 O64.412 Zn16 -","4","1","","Boldog, Ishtvan; Bereciartua, Pablo J.; Bulánek, Roman; Kučeráková, Monika; Tomandlová, Markéta; Dušek, Michal; Macháček, Jan; De Vos, Dirk; Baše, Tomáš","10-Vertex closo-carborane: a unique ligand platform for porous coordination polymers","CrystEngComm","2016","18","12","2036","","10.1039/C5CE02501J","","x-ray","1.5418","CuKα","","0.0669","0.0617","","","0.1634","0.1675","","","","2.7","2.7","2.65","","","","has coordinates","288070","2023-12-06","12:58:11",""
"7224279","21.638","0.005","20.983","0.005","12.364","0.005","90","","90","","90","","5614","3","100","1","100","1","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C26 H18 Co N4 O5 -","- C26 H18 Co N4 O5 -","- C208 H144 Co8 N32 O40 -","8","1","","Pal, Arun; Chand, Santanu; Senthilkumar, S.; Neogi, Subhadip; Das, Madhab C.","Structural variation of transition metal coordination polymers based on bent carboxylate and flexible spacer ligand: polymorphism, gas adsorption and SC-SC transmetallation","CrystEngComm","2016","18","23","4323","","10.1039/C6CE00151C","","","0.71069","MoKα","","0.0843","0.0569","","","0.15","0.1727","","","","","","1.019","","","","has coordinates","185287","2020-10-21","18:00:00",""
"7224280","14.556","0.005","12.648","0.005","17.312","0.005","90","","110.84","0.005","90","","2978.7","1.8","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H25 Co N5 O6 -","- C29 H25 Co N5 O6 -","- C116 H100 Co4 N20 O24 -","4","1","","Pal, Arun; Chand, Santanu; Senthilkumar, S.; Neogi, Subhadip; Das, Madhab C.","Structural variation of transition metal coordination polymers based on bent carboxylate and flexible spacer ligand: polymorphism, gas adsorption and SC-SC transmetallation","CrystEngComm","2016","18","23","4323","","10.1039/C6CE00151C","","","0.71069","MoKα","","0.0884","0.0728","","","0.2205","0.2355","","","","","","1.039","","","","has coordinates","185287","2020-10-21","18:00:00",""
"7224281","10.284","0.005","19.302","0.005","11.701","0.005","90","","102.472","0.005","90","","2267.9","1.6","100","1","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 N4 O5 Zn -","- C26 H18 N4 O5 Zn -","- C104 H72 N16 O20 Zn4 -","4","0.5","","Pal, Arun; Chand, Santanu; Senthilkumar, S.; Neogi, Subhadip; Das, Madhab C.","Structural variation of transition metal coordination polymers based on bent carboxylate and flexible spacer ligand: polymorphism, gas adsorption and SC-SC transmetallation","CrystEngComm","2016","18","23","4323","","10.1039/C6CE00151C","","","0.71069","MoKα","","0.0366","0.0328","","","0.0897","0.0922","","","","","","1.098","","","","has coordinates","185287","2020-10-21","18:00:00",""
"7224282","14.298","0.005","12.999","0.005","16.979","0.005","90","","108.28","0.005","90","","2996.5","1.8","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H25 Cd N5 O6 -","- C29 H25 Cd N5 O6 -","- C116 H100 Cd4 N20 O24 -","4","1","","Pal, Arun; Chand, Santanu; Senthilkumar, S.; Neogi, Subhadip; Das, Madhab C.","Structural variation of transition metal coordination polymers based on bent carboxylate and flexible spacer ligand: polymorphism, gas adsorption and SC-SC transmetallation","CrystEngComm","2016","18","23","4323","","10.1039/C6CE00151C","","","0.71069","MoKα","","0.0638","0.0556","","","0.1573","0.1641","","","","","","1.04","","","","has coordinates","185287","2020-10-21","18:00:00",""
"7224283","14.261","0.005","13.024","0.005","17.038","0.005","90","","108.197","0.005","90","","3006.3","1.8","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H29 Cd N5 O6 -","- C31 H29 Cd N5 O6 -","- C124 H116 Cd4 N20 O24 -","4","1","","Pal, Arun; Chand, Santanu; Senthilkumar, S.; Neogi, Subhadip; Das, Madhab C.","Structural variation of transition metal coordination polymers based on bent carboxylate and flexible spacer ligand: polymorphism, gas adsorption and SC-SC transmetallation","CrystEngComm","2016","18","23","4323","","10.1039/C6CE00151C","","","0.71069","MoKα","","0.0508","0.0357","","","0.0847","0.0929","","","","","","1.036","","","","has coordinates","185287","2020-10-21","18:00:00",""
"7224284","14.499","0.005","12.841","0.005","16.771","0.005","90","","108.244","0.005","90","","2965.5","1.8","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H27 Cd N5 O6 -","- C30 H27 Cd N5 O6 -","- C120 H108 Cd4 N20 O24 -","4","1","","Pal, Arun; Chand, Santanu; Senthilkumar, S.; Neogi, Subhadip; Das, Madhab C.","Structural variation of transition metal coordination polymers based on bent carboxylate and flexible spacer ligand: polymorphism, gas adsorption and SC-SC transmetallation","CrystEngComm","2016","18","23","4323","","10.1039/C6CE00151C","","","0.71069","MoKα","","0.0818","0.0561","","","0.1355","0.1537","","","","","","1.073","","","","has coordinates","185287","2020-10-21","18:00:00",""
"7224285","14.268","0.005","12.993","0.005","16.902","0.005","90","","107.945","0.005","90","","2980.9","1.8","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H25 Cu N5 O6 -","- C29 H25 Cu N5 O6 -","- C116 H100 Cu4 N20 O24 -","4","1","","Pal, Arun; Chand, Santanu; Senthilkumar, S.; Neogi, Subhadip; Das, Madhab C.","Structural variation of transition metal coordination polymers based on bent carboxylate and flexible spacer ligand: polymorphism, gas adsorption and SC-SC transmetallation","CrystEngComm","2016","18","23","4323","","10.1039/C6CE00151C","","","0.71069","MoKα","","0.1009","0.0781","","","0.1844","0.2284","","","","","","1.05","","","","has coordinates","185287","2020-10-21","18:00:00",""
"7224286","12.713","0.016","8.649","0.011","15.231","0.019","90","","103.798","0.015","90","","1626","4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N O4 -","- C18 H19 N O4 -","- C72 H76 N4 O16 -","4","1","","Ramos, Rafael Rodrigues; da Silva, Cameron Capeletti; Guimarães, Freddy Fernandes; Martins, Felipe Terra","Polymorphism and conformerism in chalcones","CrystEngComm","2016","18","12","2144","","10.1039/C5CE02591E","","","0.71073","MoKα","","0.0618","0.0402","","","0.1019","0.1168","","","","","","1.03","","","","has coordinates","181600","2020-10-21","18:00:00",""
"7224287","11.62","0.003","13.232","0.003","13.981","0.003","105.776","0.001","90.626","0.002","112.721","0.001","1891.8","0.8","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H11 N O4 -","- C15 H11 N O4 -","- C90 H66 N6 O24 -","6","3","","Ramos, Rafael Rodrigues; da Silva, Cameron Capeletti; Guimarães, Freddy Fernandes; Martins, Felipe Terra","Polymorphism and conformerism in chalcones","CrystEngComm","2016","18","12","2144","","10.1039/C5CE02591E","","","0.71073","MoKα","","0.1091","0.0627","","","0.1675","0.1936","","","","","","1.05","","","","has coordinates","181600","2020-10-21","18:00:00",""
"7224288","8.7874","0.0003","12.0308","0.0007","13.8215","0.0008","90","","104.964","0.003","90","","1411.65","0.13","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","9,10-Diphenylanthracene 1,1,2,2-tetrachloroethane solvate","","- C30 H22 Cl8 -","- C30 H22 Cl8 -","- C60 H44 Cl16 -","2","0.5","","Fabbiani, Francesca P. A.; Bergantin, Stefano; Gavezzotti, Angelo; Rizzato, Silvia; Moret, Massimo","X-ray diffraction and computational studies of the pressure-dependent tetrachloroethane solvation of diphenylanthracene","CrystEngComm","2016","18","12","2173","","10.1039/C6CE00055J","","","0.71073","MoKα","","0.0738","0.0515","","","0.1201","0.1314","","","","","","1.062","","","","has coordinates","181601","2020-10-21","18:00:00",""
"7224289","10.4702","0.0009","13.3923","0.001","12.0158","0.0011","90","","89.931","0.008","90","","1684.9","0.2","296","2","296","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","9,10-Diphenylanthracene","","- C26 H18 -","- C26 H18 -","- C104 H72 -","4","0.5","","Fabbiani, Francesca P. A.; Bergantin, Stefano; Gavezzotti, Angelo; Rizzato, Silvia; Moret, Massimo","X-ray diffraction and computational studies of the pressure-dependent tetrachloroethane solvation of diphenylanthracene","CrystEngComm","2016","18","12","2173","","10.1039/C6CE00055J","","","0.71073","MoKα","","0.0485","0.0365","","","0.0876","0.0954","","","","","","1.101","","","","has coordinates","181601","2020-10-21","18:00:00",""
"7224290","10.041","0.002","13.15","0.002","11.378","0.002","90","","88.483","0.017","90","","1501.8","0.5","296","2","296","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","9,10-Diphenylanthracene","","- C26 H18 -","- C26 H18 -","- C104 H72 -","4","0.5","","Fabbiani, Francesca P. A.; Bergantin, Stefano; Gavezzotti, Angelo; Rizzato, Silvia; Moret, Massimo","X-ray diffraction and computational studies of the pressure-dependent tetrachloroethane solvation of diphenylanthracene","CrystEngComm","2016","18","12","2173","","10.1039/C6CE00055J","","","0.71073","MoKα","","0.0816","0.0528","","","0.1294","0.1475","","","","","","1.058","","","","has coordinates","181601","2020-10-21","18:00:00",""
"7224291","22.1305","0.0004","5.90728","0.00009","33.8663","0.0006","90","","106.709","0.0018","90","","4240.45","0.13","293","2","293.15","","","","","","","","","2","P 1 2/c 1","-P 2yc","13","","","","- C30 H22 -","- C30 H22 -","- C240 H176 -","8","2","","Li, Ye-Xin; Yang, Xiao-Feng; Miao, Jin-Ling; Zhang, Zhen-Wei; Sun, Guo-Xin","Effects of substitution position on crystal packing, polymorphism and crystallization-induced emission of (9-anthryl)vinylstyrylbenzene isomers","CrystEngComm","2016","18","12","2098","","10.1039/C5CE02406D","","x-ray","1.54184","CuKα","","0.0677","0.0448","","","0.1089","0.122","","","","","","1.023","","","","has coordinates","181604","2020-10-21","18:00:00",""
"7224292","32.3617","0.0007","18.5058","0.0005","7.04172","0.00013","90","","90","","90","","4217.14","0.17","293","2","293.15","","","","","","","","","2","P c c n","-P 2ab 2ac","56","","","","- C30 H22 -","- C30 H22 -","- C240 H176 -","8","1","","Li, Ye-Xin; Yang, Xiao-Feng; Miao, Jin-Ling; Zhang, Zhen-Wei; Sun, Guo-Xin","Effects of substitution position on crystal packing, polymorphism and crystallization-induced emission of (9-anthryl)vinylstyrylbenzene isomers","CrystEngComm","2016","18","12","2098","","10.1039/C5CE02406D","","x-ray","1.54184","CuKα","","0.0624","0.0484","","","0.1275","0.1403","","","","","","1.027","","","","has coordinates","181604","2020-10-21","18:00:00",""
"7224293","9.3498","0.0016","9.4481","0.0018","24.396","0.002","89.902","0.012","81.207","0.012","76.231","0.016","2067.2","0.6","293","2","293.15","","","","","","","","","2","P -1","-P 1","2","","","","- C30 H22 -","- C30 H22 -","- C120 H88 -","4","2","","Li, Ye-Xin; Yang, Xiao-Feng; Miao, Jin-Ling; Zhang, Zhen-Wei; Sun, Guo-Xin","Effects of substitution position on crystal packing, polymorphism and crystallization-induced emission of (9-anthryl)vinylstyrylbenzene isomers","CrystEngComm","2016","18","12","2098","","10.1039/C5CE02406D","","x-ray","1.54184","CuKα","","0.1684","0.1011","","","0.2633","0.3295","","","","","","1.027","","","","has coordinates","181604","2020-10-21","18:00:00",""
"7224320","13.0733","0.0002","16.7932","0.0003","19.0162","0.0002","91.0697","0.0011","94.1916","0.0012","103.074","0.0014","4053.1","0.11","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H25 N5 O4 -","- C33 H25 N5 O4 -","- C198 H150 N30 O24 -","6","3","","Suhonen, Aku; Kortelainen, Minna; Nauha, Elisa; Yliniemelä-Sipari, Sanna; Pihko, Petri M.; Nissinen, Maija","Conformational properties and folding analysis of a series of seven oligoamide foldamers","CrystEngComm","2016","18","11","2005","","10.1039/C5CE02458G","","x-ray","1.54184","CuKα","","0.0472","0.0425","","","0.1137","0.117","","","","","","1.087","","","","has coordinates","181607","2020-10-21","18:00:00",""
"7224321","14.34241","0.00019","19.5568","0.0002","11.3441","0.00016","90","","94.0477","0.0012","90","","3173.99","0.07","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H34 N6 O5 -","- C37 H34 N6 O5 -","- C148 H136 N24 O20 -","4","1","","Suhonen, Aku; Kortelainen, Minna; Nauha, Elisa; Yliniemelä-Sipari, Sanna; Pihko, Petri M.; Nissinen, Maija","Conformational properties and folding analysis of a series of seven oligoamide foldamers","CrystEngComm","2016","18","11","2005","","10.1039/C5CE02458G","","","0.7107","MoKα","","0.0538","0.0424","","","0.0981","0.1044","","","","","","1.024","","","","has coordinates,has disorder","181607","2020-10-21","18:00:00",""
"7224322","14.5114","0.0007","19.1956","0.0007","11.3102","0.0004","90","","97.975","0.004","90","","3120","0.2","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H27 D6 N5 O6 S -","- C35 H27 D6 N5 O6 S -","- C140 H108 D24 N20 O24 S4 -","4","1","","Suhonen, Aku; Kortelainen, Minna; Nauha, Elisa; Yliniemelä-Sipari, Sanna; Pihko, Petri M.; Nissinen, Maija","Conformational properties and folding analysis of a series of seven oligoamide foldamers","CrystEngComm","2016","18","11","2005","","10.1039/C5CE02458G","","x-ray","1.54184","CuKα","","0.1021","0.061","","","0.1416","0.1634","","","","","","1.093","","","","has coordinates","181607","2020-10-21","18:00:00",""
"7224323","13.934","0.003","19.167","0.0019","11.1543","0.0014","90","","94.855","0.018","90","","2968.3","0.8","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H28 N6 O4 -","- C35 H28 N6 O4 -","- C140 H112 N24 O16 -","4","1","","Suhonen, Aku; Kortelainen, Minna; Nauha, Elisa; Yliniemelä-Sipari, Sanna; Pihko, Petri M.; Nissinen, Maija","Conformational properties and folding analysis of a series of seven oligoamide foldamers","CrystEngComm","2016","18","11","2005","","10.1039/C5CE02458G","","","1.54184","CuKα","","0.1041","0.0591","","","0.1209","0.1499","","","","","","0.952","","","","has coordinates","181607","2020-10-21","18:00:00",""
"7224324","8.9343","0.0002","12.0833","0.0002","13.1298","0.0002","112.097","0.002","93.024","0.002","101.52","0.002","1274.04","0.05","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H22 Cl2 N4 O3 -","- C27 H22 Cl2 N4 O3 -","- C54 H44 Cl4 N8 O6 -","2","1","","Suhonen, Aku; Kortelainen, Minna; Nauha, Elisa; Yliniemelä-Sipari, Sanna; Pihko, Petri M.; Nissinen, Maija","Conformational properties and folding analysis of a series of seven oligoamide foldamers","CrystEngComm","2016","18","11","2005","","10.1039/C5CE02458G","","","1.54178","CuKα","","0.0838","0.0657","","","0.1671","0.183","","","","","","1.052","","","","has coordinates,has disorder","181607","2020-10-21","18:00:00",""
"7224325","9.0133","0.0001","11.9653","0.0001","12","0.0001","83.142","0.001","81.233","0.001","69.213","0.001","1192.79","0.02","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C26.5 H21 Cl N4 O3 -","- C26.5 H21 Cl N4 O3 -","- C53 H42 Cl2 N8 O6 -","2","1","","Suhonen, Aku; Kortelainen, Minna; Nauha, Elisa; Yliniemelä-Sipari, Sanna; Pihko, Petri M.; Nissinen, Maija","Conformational properties and folding analysis of a series of seven oligoamide foldamers","CrystEngComm","2016","18","11","2005","","10.1039/C5CE02458G","","","1.54178","CuKα","","0.067","0.0582","","","0.1498","0.1586","","","","","","1.049","","","","has coordinates,has disorder","181607","2020-10-21","18:00:00",""
"7224326","8.189","0.0002","12.1939","0.0003","14.5599","0.0003","68.849","0.002","80.18","0.003","86.555","0.003","1336.08","0.06","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H29 N5 O4 -","- C30 H29 N5 O4 -","- C60 H58 N10 O8 -","2","1","","Suhonen, Aku; Kortelainen, Minna; Nauha, Elisa; Yliniemelä-Sipari, Sanna; Pihko, Petri M.; Nissinen, Maija","Conformational properties and folding analysis of a series of seven oligoamide foldamers","CrystEngComm","2016","18","11","2005","","10.1039/C5CE02458G","","","1.54178","CuKα","","0.0813","0.0512","","","0.1195","0.1369","","","","","","1.027","","","","has coordinates,has disorder","181607","2020-10-21","18:00:00",""
"7224327","10.9333","0.0006","18.054","0.0011","21.5317","0.0014","90","","90","","90","","4250.1","0.4","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H20 N4 O3 -","- C26 H20 N4 O3 -","- C208 H160 N32 O24 -","8","1","","Suhonen, Aku; Kortelainen, Minna; Nauha, Elisa; Yliniemelä-Sipari, Sanna; Pihko, Petri M.; Nissinen, Maija","Conformational properties and folding analysis of a series of seven oligoamide foldamers","CrystEngComm","2016","18","11","2005","","10.1039/C5CE02458G","","","1.54178","CuKα","","0.101","0.0543","","","0.1132","0.135","","","","","","1.039","","","","has coordinates","181607","2020-10-21","18:00:00",""
"7224328","8.5193","0.0003","9.8054","0.0004","14.3709","0.0004","74.437","0.003","75.224","0.003","78.208","0.003","1106.25","0.07","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","N2-(2-aminophenyl)-N6-(2-benzamidophenyl)pyridine-2,6-dicarboxamide","","- C26 H21 N5 O3 -","- C26 H21 N5 O3 -","- C52 H42 N10 O6 -","2","1","","Suhonen, Aku; Kortelainen, Minna; Nauha, Elisa; Yliniemelä-Sipari, Sanna; Pihko, Petri M.; Nissinen, Maija","Conformational properties and folding analysis of a series of seven oligoamide foldamers","CrystEngComm","2016","18","11","2005","","10.1039/C5CE02458G","","","0.7107","MoKα","","0.0568","0.0439","","","0.1054","0.1126","","","","","","1.1","","","","has coordinates","181607","2020-10-21","18:00:00",""
"7224329","12.3983","0.0002","19.7518","0.0003","14.0691","0.0002","90","","99.8562","0.0016","90","","3394.51","0.09","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H25 Cl3 N6 O4 -","- C35 H25 Cl3 N6 O4 -","- C140 H100 Cl12 N24 O16 -","4","1","","Suhonen, Aku; Kortelainen, Minna; Nauha, Elisa; Yliniemelä-Sipari, Sanna; Pihko, Petri M.; Nissinen, Maija","Conformational properties and folding analysis of a series of seven oligoamide foldamers","CrystEngComm","2016","18","11","2005","","10.1039/C5CE02458G","","","0.7107","MoKα","","0.0661","0.0501","","","0.1198","0.1299","","","","","","1.024","","","","has coordinates,has disorder","181607","2020-10-21","18:00:00",""
"7224330","12.1856","0.0005","20.3897","0.0008","13.7195","0.0005","90","","95.426","0.003","90","","3393.5","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H33 N7 O5 -","- C38 H33 N7 O5 -","- C152 H132 N28 O20 -","4","1","","Suhonen, Aku; Kortelainen, Minna; Nauha, Elisa; Yliniemelä-Sipari, Sanna; Pihko, Petri M.; Nissinen, Maija","Conformational properties and folding analysis of a series of seven oligoamide foldamers","CrystEngComm","2016","18","11","2005","","10.1039/C5CE02458G","","","1.54178","CuKα","","0.1275","0.0703","","","0.1653","0.2001","","","","","","1.021","","","","has coordinates","181607","2020-10-21","18:00:00",""
"7224331","12.2684","0.0004","20.2242","0.0007","13.8112","0.0005","90","","98.246","0.002","90","","3391.4","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H32 N6 O5 -","- C38 H32 N6 O5 -","- C152 H128 N24 O20 -","4","1","","Suhonen, Aku; Kortelainen, Minna; Nauha, Elisa; Yliniemelä-Sipari, Sanna; Pihko, Petri M.; Nissinen, Maija","Conformational properties and folding analysis of a series of seven oligoamide foldamers","CrystEngComm","2016","18","11","2005","","10.1039/C5CE02458G","","","1.54178","CuKα","","0.1238","0.083","","","0.21","0.2409","","","","","","1.031","","","","has coordinates","181607","2020-10-21","18:00:00",""
"7224332","8.7193","0.0002","13.1332","0.0003","13.2791","0.0005","114.688","0.001","97.288","0.001","103.693","0.001","1297.73","0.07","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H27 N5 O5 -","- C30 H27 N5 O5 -","- C60 H54 N10 O10 -","2","1","","Suhonen, Aku; Kortelainen, Minna; Nauha, Elisa; Yliniemelä-Sipari, Sanna; Pihko, Petri M.; Nissinen, Maija","Conformational properties and folding analysis of a series of seven oligoamide foldamers","CrystEngComm","2016","18","11","2005","","10.1039/C5CE02458G","","","0.71073","MoKα","","0.1002","0.0586","","","0.1308","0.1503","","","","","","1.062","","","","has coordinates","181607","2020-10-21","18:00:00",""
"7224333","8.7246","0.0005","13.2012","0.0005","15.2754","0.0005","97.888","0.003","104.934","0.004","104.062","0.004","1611.06","0.13","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","N2-(2-acetamidophenyl)-N6-(2-benzamidophenyl)pyridine-2,6-dicarboxamide","","- C32 H35 N5 O6 S2 -","- C32 H35 N5 O6 S2 -","- C64 H70 N10 O12 S4 -","2","1","","Suhonen, Aku; Kortelainen, Minna; Nauha, Elisa; Yliniemelä-Sipari, Sanna; Pihko, Petri M.; Nissinen, Maija","Conformational properties and folding analysis of a series of seven oligoamide foldamers","CrystEngComm","2016","18","11","2005","","10.1039/C5CE02458G","","","0.7107","MoKα","","0.0735","0.0516","","","0.1138","0.1271","","","","","","1.031","","","","has coordinates,has disorder","181607","2020-10-21","18:00:00",""
"7224334","26.4407","0.0011","8.6348","0.0003","21.4502","0.001","90","","94.284","0.002","90","","4883.6","0.3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H23 N5 O4 -","- C28 H23 N5 O4 -","- C224 H184 N40 O32 -","8","1","","Suhonen, Aku; Kortelainen, Minna; Nauha, Elisa; Yliniemelä-Sipari, Sanna; Pihko, Petri M.; Nissinen, Maija","Conformational properties and folding analysis of a series of seven oligoamide foldamers","CrystEngComm","2016","18","11","2005","","10.1039/C5CE02458G","","","1.54178","CuKα","","0.0901","0.0518","","","0.1129","0.1333","","","","","","1.072","","","","has coordinates","181607","2020-10-21","18:00:00",""
"7224335","9.6881","0.0006","10.6294","0.0007","15.8346","0.0009","105.487","0.005","103.244","0.005","102.241","0.005","1463.32","0.17","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H33 N5 O5 -","- C33 H33 N5 O5 -","- C66 H66 N10 O10 -","2","1","","Suhonen, Aku; Kortelainen, Minna; Nauha, Elisa; Yliniemelä-Sipari, Sanna; Pihko, Petri M.; Nissinen, Maija","Conformational properties and folding analysis of a series of seven oligoamide foldamers","CrystEngComm","2016","18","11","2005","","10.1039/C5CE02458G","","","0.7107","MoKα","","0.0937","0.058","","","0.0991","0.1136","","","","","","1.037","","","","has coordinates","181607","2020-10-21","18:00:00",""
"7224336","13.8945","0.0003","19.3946","0.0004","11.2987","0.0002","90","","92.96","0.002","90","","3040.69","0.11","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H25 D6 N5 O5 -","- C36 H25 D6 N5 O5 -","- C144 H100 D24 N20 O20 -","4","1","","Suhonen, Aku; Kortelainen, Minna; Nauha, Elisa; Yliniemelä-Sipari, Sanna; Pihko, Petri M.; Nissinen, Maija","Conformational properties and folding analysis of a series of seven oligoamide foldamers","CrystEngComm","2016","18","11","2005","","10.1039/C5CE02458G","","x-ray","1.54184","CuKα","","0.0787","0.0581","","","0.1478","0.1617","","","","","","1.077","","","","has coordinates","181607","2020-10-21","18:00:00",""
"7224337","8.837","0.003","9.956","0.002","12.431","0.004","67.08","0.02","85.63","0.03","73.08","0.02","962.9","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 N O4 S6 -","- C16 H14 N O4 S6 -","- C32 H28 N2 O8 S12 -","2","1","","Huo, Peng; Li, Yan-Hong; Xue, Li-Jun; Chen, Ting; Yu, Lei; Zhu, Qin-Yu; Dai, Jie","Effect of conjugated structures of bipyridinium cations on ion assembly and charge-transfer of their tetrathiafulvalene-bicarboxylate salts","CrystEngComm","2016","18","11","1904","","10.1039/C6CE00180G","","","0.71075","MoKα","","0.0577","0.0436","","","0.1033","0.1277","","","","","","1.029","","","","has coordinates","181608","2020-10-21","18:00:00",""
"7224338","9.5145","0.0019","9.96","0.002","13.139","0.003","107.14","0.03","106.56","0.03","94.37","0.03","1122.9","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H40 N2 O11 S12 -","- C36 H38 N2 O11 S12 -","- C36 H38 N2 O11 S12 -","1","0.5","","Huo, Peng; Li, Yan-Hong; Xue, Li-Jun; Chen, Ting; Yu, Lei; Zhu, Qin-Yu; Dai, Jie","Effect of conjugated structures of bipyridinium cations on ion assembly and charge-transfer of their tetrathiafulvalene-bicarboxylate salts","CrystEngComm","2016","18","11","1904","","10.1039/C6CE00180G","","","0.71073","MoKα","","0.0528","0.0424","","","0.1109","0.1141","","","","","","1.071","","","","has coordinates","181608","2020-10-21","18:00:00",""
"7224339","7.5801","0.0015","11.601","0.002","12.317","0.003","89.25","0.03","74.54","0.03","88.44","0.03","1043.5","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H16 N O4 S6 -","- C17 H16 N O4 S6 -","- C34 H32 N2 O8 S12 -","2","1","","Huo, Peng; Li, Yan-Hong; Xue, Li-Jun; Chen, Ting; Yu, Lei; Zhu, Qin-Yu; Dai, Jie","Effect of conjugated structures of bipyridinium cations on ion assembly and charge-transfer of their tetrathiafulvalene-bicarboxylate salts","CrystEngComm","2016","18","11","1904","","10.1039/C6CE00180G","","","0.71073","MoKα","","0.0629","0.0388","","","0.0926","0.1025","","","","","","1.041","","","","has coordinates","181608","2020-10-21","18:00:00",""
"7224340","26.74","0.02","15.068","0.012","19.967","0.016","90","","128.436","0.011","90","","6302","9","243","2","243","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","wcz","","","- C42 H70 Ca Cd Cl4 N24 O23 -","- C42 H48 Ca Cd Cl4 N24 O16 -","- C168 H192 Ca4 Cd4 Cl16 N96 O64 -","4","0.5","","Wang, Chuan-Zeng; Zhao, Wen-Xuan; Shen, Fang-Fang; Zhang, Yun-Qian; Zhu, Qian-Jiang; Xiao, Xin; Tao, Zhu","Methyl-substituted cucurbit[6]uril-based microporous supramolecular frameworks for highly selective Et2O/CH3OH adsorption","CrystEngComm","2016","18","12","2112","","10.1039/C5CE02414E","","","0.71073","MoKα","","0.1917","0.1023","","","0.2904","0.3397","","","","","","0.948","","","","has coordinates","181603","2020-10-21","18:00:00",""
"7224341","14.998","0.006","18.882","0.008","27.686","0.012","90","","92.018","0.006","90","","7836","6","243","2","243","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","wcz","","","- C42 H90 Ba2 Cd Cl6 N24 O33 -","- C42 H48 Ba2 Cd Cl6 N24 O19 -","- C168 H192 Ba8 Cd4 Cl24 N96 O76 -","4","1","","Wang, Chuan-Zeng; Zhao, Wen-Xuan; Shen, Fang-Fang; Zhang, Yun-Qian; Zhu, Qian-Jiang; Xiao, Xin; Tao, Zhu","Methyl-substituted cucurbit[6]uril-based microporous supramolecular frameworks for highly selective Et2O/CH3OH adsorption","CrystEngComm","2016","18","12","2112","","10.1039/C5CE02414E","","","0.71073","MoKα","","0.1967","0.0987","","","0.2573","0.298","","","","","","0.897","","","","has coordinates,has disorder","181603","2020-10-21","18:00:00",""
"7224342","6.8378","0.0004","12.9909","0.0008","13.6543","0.0008","74.892","0.005","77.728","0.005","77.116","0.005","1126.02","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H17 F3 La N3 O10 -","- C18 H17 F3 La N3 O10 -","- C36 H34 F6 La2 N6 O20 -","2","1","","Cui, Yan-Hui; Liang, Xiao-Xiao; Gu, Jin-Zhong; Wu, Jiang; Kirillov, Alexander M.","Self-assembly synthesis, structural features, reversible temperature-induced dehydration/hydration, and magnetic and luminescence properties of lanthanide(iii) compounds derived from 5-fluoronicotinic acid","CrystEngComm","2016","18","13","2303","","10.1039/C6CE00040A","","","0.71","MoKα","","0.0544","0.0423","","","0.0618","0.0707","","","","","","1.027","","","","has coordinates","181590","2020-10-21","18:00:00",""
"7224343","6.8156","0.0008","12.914","0.0015","13.6372","0.0013","74.71","0.009","77.652","0.009","76.938","0.01","1112.6","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H17 F3 N3 O10 Pr -","- C18 H17 F3 N3 O10 Pr -","- C36 H34 F6 N6 O20 Pr2 -","2","1","","Cui, Yan-Hui; Liang, Xiao-Xiao; Gu, Jin-Zhong; Wu, Jiang; Kirillov, Alexander M.","Self-assembly synthesis, structural features, reversible temperature-induced dehydration/hydration, and magnetic and luminescence properties of lanthanide(iii) compounds derived from 5-fluoronicotinic acid","CrystEngComm","2016","18","13","2303","","10.1039/C6CE00040A","","","0.71073","MoKα","","0.0528","0.0418","","","0.0802","0.086","","","","","","1.006","","","","has coordinates","181590","2020-10-21","18:00:00",""
"7224344","6.806","0.0003","12.881","0.0009","13.6265","0.0008","74.631","0.006","77.655","0.005","76.893","0.005","1106.75","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H17 F3 N3 Nd O10 -","- C18 H17 F3 N3 Nd O10 -","- C36 H34 F6 N6 Nd2 O20 -","2","1","","Cui, Yan-Hui; Liang, Xiao-Xiao; Gu, Jin-Zhong; Wu, Jiang; Kirillov, Alexander M.","Self-assembly synthesis, structural features, reversible temperature-induced dehydration/hydration, and magnetic and luminescence properties of lanthanide(iii) compounds derived from 5-fluoronicotinic acid","CrystEngComm","2016","18","13","2303","","10.1039/C6CE00040A","","","0.71073","MoKα","","0.0468","0.039","","","0.0749","0.0812","","","","","","1.049","","","","has coordinates","181590","2020-10-21","18:00:00",""
"7224345","6.7955","0.0004","12.8007","0.0008","13.6033","0.0009","74.644","0.005","77.629","0.005","76.699","0.005","1095.54","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H17 Eu F3 N3 O10 -","- C18 H17 Eu F3 N3 O10 -","- C36 H34 Eu2 F6 N6 O20 -","2","1","","Cui, Yan-Hui; Liang, Xiao-Xiao; Gu, Jin-Zhong; Wu, Jiang; Kirillov, Alexander M.","Self-assembly synthesis, structural features, reversible temperature-induced dehydration/hydration, and magnetic and luminescence properties of lanthanide(iii) compounds derived from 5-fluoronicotinic acid","CrystEngComm","2016","18","13","2303","","10.1039/C6CE00040A","","","0.71073","MoKα","","0.0369","0.0311","","","0.0584","0.063","","","","","","1.038","","","","has coordinates","181590","2020-10-21","18:00:00",""
"7224346","6.7892","0.0005","12.7644","0.0012","13.5843","0.0016","74.594","0.009","77.659","0.009","76.719","0.008","1089.84","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H17 F3 Gd N3 O10 -","- C18 H17 F3 Gd N3 O10 -","- C36 H34 F6 Gd2 N6 O20 -","2","1","","Cui, Yan-Hui; Liang, Xiao-Xiao; Gu, Jin-Zhong; Wu, Jiang; Kirillov, Alexander M.","Self-assembly synthesis, structural features, reversible temperature-induced dehydration/hydration, and magnetic and luminescence properties of lanthanide(iii) compounds derived from 5-fluoronicotinic acid","CrystEngComm","2016","18","13","2303","","10.1039/C6CE00040A","","","0.71073","MoKα","","0.0374","0.0329","","","0.0723","0.0759","","","","","","1.028","","","","has coordinates","181590","2020-10-21","18:00:00",""
"7224347","6.7859","0.0004","12.7748","0.0007","13.566","0.0008","74.689","0.005","77.546","0.005","76.536","0.005","1088.1","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H17 F3 N3 O10 Tb -","- C18 H17 F3 N3 O10 Tb -","- C36 H34 F6 N6 O20 Tb2 -","2","1","","Cui, Yan-Hui; Liang, Xiao-Xiao; Gu, Jin-Zhong; Wu, Jiang; Kirillov, Alexander M.","Self-assembly synthesis, structural features, reversible temperature-induced dehydration/hydration, and magnetic and luminescence properties of lanthanide(iii) compounds derived from 5-fluoronicotinic acid","CrystEngComm","2016","18","13","2303","","10.1039/C6CE00040A","","","0.71073","MoKα","","0.0332","0.0288","","","0.0589","0.0621","","","","","","1.039","","","","has coordinates","181590","2020-10-21","18:00:00",""
"7224348","6.7196","0.0004","13.0045","0.0009","13.3399","0.0009","94.604","0.006","93.382","0.005","102.228","0.005","1132.12","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H19 F3 N3 O11 Tm -","- C18 H19 F3 N3 O11 Tm -","- C36 H38 F6 N6 O22 Tm2 -","2","1","","Cui, Yan-Hui; Liang, Xiao-Xiao; Gu, Jin-Zhong; Wu, Jiang; Kirillov, Alexander M.","Self-assembly synthesis, structural features, reversible temperature-induced dehydration/hydration, and magnetic and luminescence properties of lanthanide(iii) compounds derived from 5-fluoronicotinic acid","CrystEngComm","2016","18","13","2303","","10.1039/C6CE00040A","","","0.71073","MoKα","","0.0431","0.0364","","","0.0713","0.0768","","","","","","1.107","","","","has coordinates","181590","2020-10-21","18:00:00",""
"7224349","8.6142","0.0002","27.4686","0.0009","15.3524","0.0004","90","","100.233","0.003","90","","3574.9","0.17","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 Eu F2 N7 O10 -","- C36 H28 Eu F2 N7 O10 -","- C144 H112 Eu4 F8 N28 O40 -","4","1","","Cui, Yan-Hui; Liang, Xiao-Xiao; Gu, Jin-Zhong; Wu, Jiang; Kirillov, Alexander M.","Self-assembly synthesis, structural features, reversible temperature-induced dehydration/hydration, and magnetic and luminescence properties of lanthanide(iii) compounds derived from 5-fluoronicotinic acid","CrystEngComm","2016","18","13","2303","","10.1039/C6CE00040A","","","0.71073","MoKα","","0.0709","0.047","","","0.1078","0.1255","","","","","","1.046","","","","has coordinates","181590","2020-10-21","18:00:00",""
"7224350","13.6952","","11.1812","","10.7534","","82.39","","92.5433","","90.1698","","1630.54","","298.15","","298.15","","","","","","","","","5","P 1","P 1","1","GL-SA","","","- C19 H27 N3 O7 S -","- C19 H27 N3 O7 S -","- C19 H27 N3 O7 S -","1","1","","Chadha, Renu; Rani, Dimpy; Goyal, Parnika","Novel cocrystals of gliclazide: characterization and evaluation","CrystEngComm","2016","18","13","2275","","10.1039/C5CE02402A","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","0.782","","","","","","","has coordinates","208164","2020-10-21","18:00:00",""
"7224351","10.8484","","14.3701","","13.0037","","90","","125.84","","90","","1643.34","","298.15","","298.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","GL-MA","","","- C19 H27 N3 O8 S -","- C19 H27 N3 O8 S -","- C76 H108 N12 O32 S4 -","4","1","","Chadha, Renu; Rani, Dimpy; Goyal, Parnika","Novel cocrystals of gliclazide: characterization and evaluation","CrystEngComm","2016","18","13","2275","","10.1039/C5CE02402A","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","0.894","","","","","","","has coordinates","181593","2020-10-21","18:00:00",""
"7224352","11.6181","0.0001","12.7879","0.0001","24.72","0.0002","90","","91.4752","0.0006","90","","3671.46","0.05","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(FIO)3:CH2Cl2","","","- C40 H23 Cl2 F3 N6 O6 -","- C40 H23 Cl2 F3 N6 O6 -","- C160 H92 Cl8 F12 N24 O24 -","4","1","","Mocilac, P.; Gallagher, J. F.","Halogenated tennimides and trezimides: impact of halogen bonding and solvent role on porous network formation and inclusion","CrystEngComm","2016","18","13","2375","","10.1039/C5CE02052B","","","1.54184","CuKα","","0.042","0.0347","","","0.0867","0.093","","","","","","1.032","","","","has coordinates,has disorder","181594","2020-10-21","18:00:00",""
"7224353","11.4994","0.0001","18.9382","0.0001","17.4326","0.0001","90","","91.599","0.002","90","","3794.96","0.04","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(FIO)3:DMSO","","","- C41 H27 F3 N6 O7 S -","- C41 H27 F3 N6 O7 S -","- C164 H108 F12 N24 O28 S4 -","4","1","","Mocilac, P.; Gallagher, J. F.","Halogenated tennimides and trezimides: impact of halogen bonding and solvent role on porous network formation and inclusion","CrystEngComm","2016","18","13","2375","","10.1039/C5CE02052B","","","1.54184","CuKα","","0.0416","0.036","","","0.0986","0.1048","","","","","","1.044","","","","has coordinates,has disorder","181594","2020-10-21","18:00:00",""
"7224354","12.007","0.001","12.0935","0.0009","17.6041","0.0014","100.016","0.007","103.607","0.007","90.467","0.007","2443.4","0.3","294","2","294","2","","","","","","","","6","P -1","-P 1","2","(FIO)4","","","- C53 H29 Cl3 F4 N8 O8 -","- C53 H29 Cl3 F4 N8 O8 -","- C106 H58 Cl6 F8 N16 O16 -","2","1","","Mocilac, P.; Gallagher, J. F.","Halogenated tennimides and trezimides: impact of halogen bonding and solvent role on porous network formation and inclusion","CrystEngComm","2016","18","13","2375","","10.1039/C5CE02052B","","","1.54184","CuKα","","0.0821","0.0582","","","0.1588","0.1839","","","","","","1.024","","","","has coordinates,has disorder","181594","2020-10-21","18:00:00",""
"7224355","12.8052","0.0001","23.0739","0.0001","18.4579","0.0002","90","","107.394","0.001","90","","5204.29","0.08","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(FIO)4:2(Acetone)","","","- C58 H40 F4 N8 O10 -","- C58 H40 F4 N8 O10 -","- C232 H160 F16 N32 O40 -","4","1","","Mocilac, P.; Gallagher, J. F.","Halogenated tennimides and trezimides: impact of halogen bonding and solvent role on porous network formation and inclusion","CrystEngComm","2016","18","13","2375","","10.1039/C5CE02052B","","","1.54184","CuKα","","0.0677","0.0638","","","0.1931","0.1966","","","","","","1.11","","","","has coordinates,has disorder","181594","2020-10-21","18:00:00",""
"7224356","55.0537","0.001","36.3597","0.0005","10.6018","0.0002","90","","90","","90","","21222","0.6","294","2","294","2","","","","","","","","6","F d d 2","F 2 -2d","43","(ClIO)3:DMSO:H2O","","","- C171.04 H129.12 Cl12 N24 O36.52 S7.52 -","- C171.04 H129.12 Cl12 N24 O36.52 S7.52 -","- C684.16 H516.48 Cl48 N96 O146.08 S30.08 -","4","0.25","","Mocilac, P.; Gallagher, J. F.","Halogenated tennimides and trezimides: impact of halogen bonding and solvent role on porous network formation and inclusion","CrystEngComm","2016","18","13","2375","","10.1039/C5CE02052B","","","1.54184","CuKα","","0.0549","0.0497","","","0.1371","0.1426","","","","","","1.053","","","","has coordinates,has disorder","181594","2020-10-21","18:00:00",""
"7224357","13.8337","0.0001","19.0181","0.0001","19.0737","0.0001","90","","90","","90","","5018.11","0.05","294","2","294","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","(ClIO)4:CH2Cl2","","","- C106 H60 Cl12 N16 O16 -","- C106 H60 Cl12 N16 O16 -","- C212 H120 Cl24 N32 O32 -","2","0.25","","Mocilac, P.; Gallagher, J. F.","Halogenated tennimides and trezimides: impact of halogen bonding and solvent role on porous network formation and inclusion","CrystEngComm","2016","18","13","2375","","10.1039/C5CE02052B","","","1.54184","CuKα","","0.0451","0.0377","","","0.1066","0.1139","","","","","","1.023","","","","has coordinates,has disorder","181594","2020-10-21","18:00:00",""
"7224358","13.9556","0.0003","19.085","0.0004","19.123","0.0003","90","","90","","90","","5093.27","0.17","294","2","294","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","MIO4:CH2Cl2","","","- C57 H42 Cl2 N8 O8 -","- C57 H42 Cl2 N8 O8 -","- C228 H168 Cl8 N32 O32 -","4","0.5","","Mocilac, P.; Gallagher, J. F.","Halogenated tennimides and trezimides: impact of halogen bonding and solvent role on porous network formation and inclusion","CrystEngComm","2016","18","13","2375","","10.1039/C5CE02052B","","","1.54184","CuKα","","0.0768","0.0611","","","0.1395","0.1476","","","","","","1.091","","","","has coordinates,has disorder","181594","2020-10-21","18:00:00",""
"7224359","14.1849","0.0002","19.089","0.0002","19.1396","0.0002","90","","90","","90","","5182.54","0.11","294","2","294","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","MIO4:CHCl3","","","- C57 H41 Cl3 N8 O8 -","- C57 H41 Cl3 N8 O8 -","- C228 H164 Cl12 N32 O32 -","4","0.5","","Mocilac, P.; Gallagher, J. F.","Halogenated tennimides and trezimides: impact of halogen bonding and solvent role on porous network formation and inclusion","CrystEngComm","2016","18","13","2375","","10.1039/C5CE02052B","","","1.54184","CuKα","","0.061","0.0445","","","0.1143","0.1271","","","","","","1.029","","","","has coordinates,has disorder","181594","2020-10-21","18:00:00",""
"7224360","13.9915","0.0006","19.1005","0.0008","19.0658","0.0007","90","","90","","90","","5095.2","0.4","294","2","294","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","ClIO4 chloroform solvate","","","- C52.8 H28.8 Cl6.4 N8 O8 -","- C52.8 H28.8 Cl6.4 N8 O8 -","- C211.2 H115.2 Cl25.6 N32 O32 -","4","0.5","","Mocilac, P.; Gallagher, J. F.","Halogenated tennimides and trezimides: impact of halogen bonding and solvent role on porous network formation and inclusion","CrystEngComm","2016","18","13","2375","","10.1039/C5CE02052B","","","1.54184","CuKα","","0.1716","0.0491","","","0.0901","0.1178","","","","","","0.703","","","","has coordinates,has disorder","181594","2020-10-21","18:00:00",""
"7224361","13.6868","0.0009","19.0571","0.0011","19.07","0.0011","90","","90","","90","","4974","0.5","294","2","294","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","ClIO4 dichloromethane solvate","","","- C52.61 H29.22 Cl5.22 N8 O8 -","- C52.61 H29.22 Cl5.22 N8 O8 -","- C210.44 H116.88 Cl20.88 N32 O32 -","4","0.5","","Mocilac, P.; Gallagher, J. F.","Halogenated tennimides and trezimides: impact of halogen bonding and solvent role on porous network formation and inclusion","CrystEngComm","2016","18","13","2375","","10.1039/C5CE02052B","","","1.54184","CuKα","","0.0845","0.0553","","","0.1458","0.1723","","","","","","1.044","","","","has coordinates,has disorder","181594","2020-10-21","18:00:00",""
"7224362","40.2669","0.001","13.9032","0.0005","25.9948","0.0009","90","","104.201","0.003","90","","14108.2","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C80 H48 Co3 N4 O16 -","- C80 H48 Co3 N4 O16 -","- C320 H192 Co12 N16 O64 -","4","0.5","","Li, Xingjun; Jiang, Feilong; Chen, Lian; Wu, Mingyan; Lu, Shan; Pang, Jiandong; Zhou, Kang; Chen, Xueyuan; Hong, Maochun","Two microporous metal‒organic frameworks constructed from trinuclear cobalt(ii) and cadmium(ii) cluster subunits","CrystEngComm","2016","18","13","2239","","10.1039/C6CE00141F","","","1.54184","CuKα","","0.0539","0.0393","","","0.0862","0.0887","","","","","","1.023","","","","has coordinates","181595","2020-10-21","18:00:00",""
"7224363","26.9364","0.0007","22.1231","0.0004","26.0462","0.0008","90","","109.737","0.003","90","","14609.5","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C80 H48 Cd3 N4 O16 -","- C80 H48 Cd3 N4 O16 -","- C320 H192 Cd12 N16 O64 -","4","1","","Li, Xingjun; Jiang, Feilong; Chen, Lian; Wu, Mingyan; Lu, Shan; Pang, Jiandong; Zhou, Kang; Chen, Xueyuan; Hong, Maochun","Two microporous metal‒organic frameworks constructed from trinuclear cobalt(ii) and cadmium(ii) cluster subunits","CrystEngComm","2016","18","13","2239","","10.1039/C6CE00141F","","","1.54184","CuKα","","0.1186","0.0826","","","0.2405","0.2709","","","","","","1.057","","","","has coordinates","181595","2020-10-21","18:00:00",""
"7224366","24.282","0.005","19.029","0.004","16.19","0.003","90","","100.99","0.03","90","","7344","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H37 N7 O6 Zn -","- C33.5 H25.5 N5.5 O4.5 Zn -","- C268 H204 N44 O36 Zn8 -","8","2","","Ghasempour, Hosein; Azhdari Tehrani, Alireza; Morsali, Ali; Wang, Jun; Junk, Peter C.","Two pillared metal‒organic frameworks comprising a long pillar ligand used as fluorescent sensors for nitrobenzene and heterogeneous catalysts for the Knoevenagel condensation reaction","CrystEngComm","2016","18","14","2463","","10.1039/C6CE00108D","","","0.71073","Synchrotron","","0.116","0.1046","","","0.2586","0.2651","","","","","","1.066","","","","has coordinates,has disorder","181623","2020-10-21","18:00:00",""
"7224367","24.286","0.005","18.962","0.004","16.247","0.003","90","","99.84","0.03","90","","7372","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H37 Cd N7 O6 -","- C32 H21.568 Cd N5 O4 -","- C256 H172.544 Cd8 N40 O32 -","8","2","","Ghasempour, Hosein; Azhdari Tehrani, Alireza; Morsali, Ali; Wang, Jun; Junk, Peter C.","Two pillared metal‒organic frameworks comprising a long pillar ligand used as fluorescent sensors for nitrobenzene and heterogeneous catalysts for the Knoevenagel condensation reaction","CrystEngComm","2016","18","14","2463","","10.1039/C6CE00108D","","","0.71073","Synchrotron","","0.1337","0.1108","","","0.316","0.3367","","","","","","1.201","","","","has coordinates,has disorder","181623","2020-10-21","18:00:00",""
"7224368","8.5269","0.0017","26.774","0.005","12.05","0.002","90","","105.38","0.03","90","","2652.5","0.9","293","2","293","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C21 H20 Cu Gd I N4 O7.5 -","- C21 H19 Cu Gd I N4 O7.5 -","- C84 H76 Cu4 Gd4 I4 N16 O30 -","4","1","","Zeng, Guang; Xing, Shanghua; Wang, Xiuru; Yang, Yulin; Xiao, Yang; Li, Zhenhua; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Synthesis, structures and luminescence properties of 3d‒4f heterometallic‒organic frameworks (HMOFs) constructed from different copper halide clusters","CrystEngComm","2016","18","23","4336","","10.1039/C5CE02544C","","","0.71073","MoKα","","0.0634","0.0535","","","0.126","0.1302","","","","","","1.094","","","","has coordinates","185290","2020-10-21","18:00:00",""
"7224369","25.493","0.004","25.493","0.004","9.1268","0.0018","90","","90","","90","","5931.4","1.8","293","2","293","2","","","","","","","","7","I -4 2 d","I -4 2bw","122","","","","- C21 H19 Cu2 Gd I2 N4 O7 -","- C21 H14 Cu2 Gd I2 N4 O7 -","- C168 H112 Cu16 Gd8 I16 N32 O56 -","8","0.5","","Zeng, Guang; Xing, Shanghua; Wang, Xiuru; Yang, Yulin; Xiao, Yang; Li, Zhenhua; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Synthesis, structures and luminescence properties of 3d‒4f heterometallic‒organic frameworks (HMOFs) constructed from different copper halide clusters","CrystEngComm","2016","18","23","4336","","10.1039/C5CE02544C","","","0.71073","MoKα","","0.0326","0.0317","","","0.0797","0.0803","","","","","","1.055","","","","has coordinates,has disorder","185290","2020-10-21","18:00:00",""
"7224370","46.009","0.003","9.7333","0.0005","20.7159","0.0016","90","","105.77","0.004","90","","8927.8","1","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38 H32 Cu3 Gd I3 N3 O8 -","- C38 H31 Cu3 Gd I3 N3 O8 -","- C304 H248 Cu24 Gd8 I24 N24 O64 -","8","1","","Zeng, Guang; Xing, Shanghua; Wang, Xiuru; Yang, Yulin; Xiao, Yang; Li, Zhenhua; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Synthesis, structures and luminescence properties of 3d‒4f heterometallic‒organic frameworks (HMOFs) constructed from different copper halide clusters","CrystEngComm","2016","18","23","4336","","10.1039/C5CE02544C","","","0.71073","MoKα","","0.0748","0.0369","","","0.0808","0.0936","","","","","","0.939","","","","has coordinates","185290","2020-10-21","18:00:00",""
"7224371","9.6323","0.0019","16.676","0.003","21.182","0.004","104.08","0.03","100.39","0.03","97.03","0.03","3196.4","1.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H48 Cu4 Gd I4 N3 O13 -","- C36 H28 Cu4 Gd I4 N3 O8 -","- C72 H56 Cu8 Gd2 I8 N6 O16 -","2","1","","Zeng, Guang; Xing, Shanghua; Wang, Xiuru; Yang, Yulin; Xiao, Yang; Li, Zhenhua; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Synthesis, structures and luminescence properties of 3d‒4f heterometallic‒organic frameworks (HMOFs) constructed from different copper halide clusters","CrystEngComm","2016","18","23","4336","","10.1039/C5CE02544C","","","0.71073","MoKα","","0.0553","0.0392","","","0.1141","0.1201","","","","","","1.069","","","","has coordinates","185290","2020-10-21","18:00:00",""
"7224384","9.6221","0.0009","24.191","0.003","13.991","0.0014","90","","94.128","0.006","90","","3248.2","0.6","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C53 H68 Br10 Cd N8 O -","- C53 H64 Br10 Cd N8 O -","- C106 H128 Br20 Cd2 N16 O2 -","2","0.5","","Li, Lei; Tong, Jian; Guo, Fang; Martí-Rujas, Javier","Crystal engineering of a hybrid metal‒organic host framework and its single-crystal-to-single-crystal guest exchange using second sphere coordination","CrystEngComm","2016","18","13","2284","","10.1039/C5CE02093J","","","1.54178","CuKα","","0.0901","0.0608","","","0.1706","0.1855","","","","","","1.055","","","","has coordinates","181588","2020-10-21","18:00:00",""
"7224385","9.585","0.0019","24.232","0.005","14.047","0.003","90","","94.31","0.03","90","","3253.4","1.2","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C54 H68.4 Br10 Cd N9 O0.7 -","- C54 H67 Br10 Cd N9 O0.7 -","- C108 H134 Br20 Cd2 N18 O1.4 -","2","0.5","","Li, Lei; Tong, Jian; Guo, Fang; Martí-Rujas, Javier","Crystal engineering of a hybrid metal‒organic host framework and its single-crystal-to-single-crystal guest exchange using second sphere coordination","CrystEngComm","2016","18","13","2284","","10.1039/C5CE02093J","","","0.7749","Synchrotron","","0.0828","0.0773","","","0.2281","0.2343","","","","","","1.082","","","","has coordinates","181588","2020-10-21","18:00:00",""
"7224386","7.727","0.0007","31.123","0.002","9.4423","0.0009","90","","90.283","0.007","90","","2270.7","0.3","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H20 Cl8 P2 Sb2 -","- C6 H20 Cl8 P2 Sb2 -","- C24 H80 Cl32 P8 Sb8 -","4","1","","Wojtaś, Maciej; Bil, Andrzej; Ga̧gor, Anna; Medycki, Wojciech; Kholkin, Andrei L.","Phase stability and dynamics of hybrid organic‒inorganic crystals [(CH3)3PH][SbCl4] and [(CH3)3PH][SbBr4]: a computational and NMR approach","CrystEngComm","2016","18","14","2413","","10.1039/C6CE00160B","","","0.71073","MoKα","","0.0575","0.0445","","","0.0761","0.0777","","","","","","1.546","","","","has coordinates","181616","2020-10-21","18:00:00",""
"7224387","7.696","0.0007","30.757","0.002","9.355","0.0009","90","","90.217","0.007","90","","2214.4","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H20 Cl8 P2 Sb2 -","- C6 H20 Cl8 P2 Sb2 -","- C24 H80 Cl32 P8 Sb8 -","4","1","","Wojtaś, Maciej; Bil, Andrzej; Ga̧gor, Anna; Medycki, Wojciech; Kholkin, Andrei L.","Phase stability and dynamics of hybrid organic‒inorganic crystals [(CH3)3PH][SbCl4] and [(CH3)3PH][SbBr4]: a computational and NMR approach","CrystEngComm","2016","18","14","2413","","10.1039/C6CE00160B","","","0.71073","MoKα","","0.043","0.0371","","","0.1449","0.147","","","","","","1.522","","","","has coordinates","181616","2020-10-21","18:00:00",""
"7224388","10.9103","0.0002","19.8342","0.0004","11.3617","0.0002","90","","100.744","0.002","90","","2415.54","0.08","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H20 Br8 P2 Sb2 -","- C6 H20 Br8 P2 Sb2 -","- C24 H80 Br32 P8 Sb8 -","4","1","","Wojtaś, Maciej; Bil, Andrzej; Ga̧gor, Anna; Medycki, Wojciech; Kholkin, Andrei L.","Phase stability and dynamics of hybrid organic‒inorganic crystals [(CH3)3PH][SbCl4] and [(CH3)3PH][SbBr4]: a computational and NMR approach","CrystEngComm","2016","18","14","2413","","10.1039/C6CE00160B","","","0.71073","MoKα","","0.0377","0.029","","","0.0729","0.075","","","","","","1.157","","","","has coordinates,has disorder","181616","2020-10-21","18:00:00",""
"7224391","16.6417","0.0018","5.4913","0.0006","23.838","0.003","90","","98.603","0.002","90","","2153.9","0.4","298","2","298","2","","","","","","","synthetic","6","P 1 21/n 1","-P 2yn","14","etoricoxib-adipic acid cocrystal","5-Chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-2,3'-bipyridine-hexane-1,6-dicarboxylic acid","","- C21 H20 Cl N2 O4 S -","- C21 H20 Cl N2 O4 S -","- C84 H80 Cl4 N8 O16 S4 -","4","1","","Mittapalli, Sudhir; Bolla, Geetha; Perumalla, Sravankumar; Nangia, Ashwini","Can we exchange water in a hydrate structure: a case study of etoricoxib","CrystEngComm","2016","18","16","2825","","10.1039/C6CE00003G","","","0.71073","MoKα","","0.0632","0.0555","","","0.1444","0.1516","","","","","","1.025","","","","has coordinates","182654","2020-10-21","18:00:00",""
"7224392","12.552","0.003","12.574","0.003","14.989","0.003","96.69","0.003","114.553","0.002","90.099","0.003","2133.8","0.8","278","2","278","2","","","","","","","synthetic","6","P -1","-P 1","2","etoricoxib-caprolactam dihydrate","5-Chloro-6-methyl-3-[4-(methylsulfonyl)phenyl]-2,3-bipyridine-Azepan-2-one dihydrate","","- C42 H45 Cl2 N5 O7 S2 -","- C42 H45 Cl2 N5 O7 S2 -","- C84 H90 Cl4 N10 O14 S4 -","2","1","","Mittapalli, Sudhir; Bolla, Geetha; Perumalla, Sravankumar; Nangia, Ashwini","Can we exchange water in a hydrate structure: a case study of etoricoxib","CrystEngComm","2016","18","16","2825","","10.1039/C6CE00003G","","","0.71073","MoKα","","0.0526","0.044","","","0.1227","0.1295","","","","","","1.037","","","","has coordinates","182654","2020-10-21","18:00:00",""
"7224393","11.8317","0.0015","12.7266","0.0016","15.772","0.002","90","","90.203","0.002","90","","2374.9","0.5","298","2","298","2","","","","","","","synthetic","6","P 1 21/n 1","-P 2yn","14","etoricoxib-gluraric acid cocrystal","5-Chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-2,3'-bipyridine-pentanedioic acid","","- C23 H23 Cl N2 O6 S -","- C23 H23 Cl N2 O6 S -","- C92 H92 Cl4 N8 O24 S4 -","4","1","","Mittapalli, Sudhir; Bolla, Geetha; Perumalla, Sravankumar; Nangia, Ashwini","Can we exchange water in a hydrate structure: a case study of etoricoxib","CrystEngComm","2016","18","16","2825","","10.1039/C6CE00003G","","","0.71073","MoKα","","0.0517","0.0445","","","0.1219","0.1281","","","","","","1.039","","","","has coordinates","182654","2020-10-21","18:00:00",""
"7224394","9.0238","0.0003","10.1284","0.0005","14.8544","0.0009","82.766","0.005","77.64","0.004","85.386","0.004","1313.61","0.11","298","2","298","2","","","","","","","synthetic","6","P -1","-P 1","2","etoricoxib-suberic acid cocrystal","5-Chloro-6-methyl-3-[4-(methylsulfonyl)phenyl]-2,3-bipyridine-octanedioic acid","","- C26 H29 Cl N2 O6 S -","- C26 H29 Cl N2 O6 S -","- C52 H58 Cl2 N4 O12 S2 -","2","1","","Mittapalli, Sudhir; Bolla, Geetha; Perumalla, Sravankumar; Nangia, Ashwini","Can we exchange water in a hydrate structure: a case study of etoricoxib","CrystEngComm","2016","18","16","2825","","10.1039/C6CE00003G","","","1.54184","CuKα","","0.0498","0.0424","","","0.1154","0.1219","","","","","","1.044","","","","has coordinates","182654","2020-10-21","18:00:00",""
"7224395","12.2796","0.0015","12.4817","0.001","14.8713","0.0018","95.187","0.008","113.754","0.012","91.242","0.008","2073.5","0.4","298","2","298","2","","","","","","","synthetic","6","P -1","-P 1","2","etoricoxib-suberic acid cocrystal hydrate","5-Chloro-6-methyl-3-[4-(methylsulfonyl)phenyl]-2,3-bipyridine-octanedioic acid trihydrate","","- C40 H41 Cl2 N4 O9 S2 -","- C40 H41 Cl2 N4 O9 S2 -","- C80 H82 Cl4 N8 O18 S4 -","2","1","","Mittapalli, Sudhir; Bolla, Geetha; Perumalla, Sravankumar; Nangia, Ashwini","Can we exchange water in a hydrate structure: a case study of etoricoxib","CrystEngComm","2016","18","16","2825","","10.1039/C6CE00003G","","","0.71073","MoKα","","0.1562","0.0649","","","0.0936","0.1307","","","","","","0.962","","","","has coordinates","182654","2020-10-21","18:00:00",""
"7224398","8.2284","0.0005","9.8021","0.0006","9.8519","0.0006","96.266","0.001","90.993","0.001","112.429","0.001","728.61","0.08","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H14 Cd N3 Na O10 -","- C9 H14 Cd N3 Na O10 -","- C18 H28 Cd2 N6 Na2 O20 -","2","1","","Bai, Yue-Ling; Xu, Liangzhen; Bao, Xiaoli; Hou, Chaoyi; Zhao, Yongmei; Zhu, Shourong","Alkaline reagent-induced structural diversity of four metal‒organic frameworks based on a flexible bicarboxylate ligand","CrystEngComm","2016","18","13","2347","","10.1039/C6CE00170J","","","0.71073","MoKα","","0.0243","0.0231","","","0.0558","0.0573","","","","","","0.962","","","","has coordinates","181592","2020-10-21","18:00:00",""
"7224399","14.2044","0.0009","7.8754","0.0005","22.2696","0.0013","90","","90","","90","","2491.2","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H11 Cd N3 O8 -","- C9 H11 Cd N3 O8 -","- C72 H88 Cd8 N24 O64 -","8","1","","Bai, Yue-Ling; Xu, Liangzhen; Bao, Xiaoli; Hou, Chaoyi; Zhao, Yongmei; Zhu, Shourong","Alkaline reagent-induced structural diversity of four metal‒organic frameworks based on a flexible bicarboxylate ligand","CrystEngComm","2016","18","13","2347","","10.1039/C6CE00170J","","","0.71073","MoKα","","0.0255","0.0208","","","0.0525","0.0552","","","","","","0.919","","","","has coordinates","181592","2020-10-21","18:00:00",""
"7224400","8.5713","0.0017","9.793","0.002","9.91","0.002","97.99","0.03","90.62","0.03","112.72","0.03","757.9","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H14 Cd K N3 O10 -","- C9 H14 Cd K N3 O10 -","- C18 H28 Cd2 K2 N6 O20 -","2","1","","Bai, Yue-Ling; Xu, Liangzhen; Bao, Xiaoli; Hou, Chaoyi; Zhao, Yongmei; Zhu, Shourong","Alkaline reagent-induced structural diversity of four metal‒organic frameworks based on a flexible bicarboxylate ligand","CrystEngComm","2016","18","13","2347","","10.1039/C6CE00170J","","","0.71073","MoKα","","0.0319","0.0288","","","0.0677","0.0699","","","","","","0.928","","","","has coordinates","181592","2020-10-21","18:00:00",""
"7224401","8.6333","0.0003","9.7461","0.0003","10.2243","0.0003","92.742","0.001","105.95","0.001","115.039","0.001","736","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H17 Cd N4 O9 -","- C10 H17 Cd N4 O9 -","- C20 H34 Cd2 N8 O18 -","2","1","","Bai, Yue-Ling; Xu, Liangzhen; Bao, Xiaoli; Hou, Chaoyi; Zhao, Yongmei; Zhu, Shourong","Alkaline reagent-induced structural diversity of four metal‒organic frameworks based on a flexible bicarboxylate ligand","CrystEngComm","2016","18","13","2347","","10.1039/C6CE00170J","","","0.71073","MoKα","","0.0171","0.0156","","","0.048","0.0599","","","","","","1.323","","","","has coordinates","181592","2020-10-21","18:00:00",""
"7224402","28.1876","0.0012","20.8706","0.0007","17.9257","0.0007","90","","106.239","0.005","90","","10124.8","0.7","123","0.1","123","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C56 H60 N4 O12 -","- C56 H60 N4 O12 -","- C448 H480 N32 O96 -","8","1","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Rissanen, Kari","Conformational changes in Cmethyl-resorcinarene pyridine N-oxide inclusion complexes in the solid state","CrystEngComm","2016","18","26","4971","","10.1039/C6CE00240D","","x-ray","1.54184","CuKα","","0.094","0.0651","","","0.1663","0.1891","","","","","","1.025","","","","has coordinates,has disorder","185191","2020-10-21","18:00:00",""
"7224403","9.9521","0.0007","13.7594","0.001","15.1539","0.0012","113.562","0.007","94.266","0.006","90.364","0.006","1895.3","0.3","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C44 H46 N2 O10 -","- C44 H46 N2 O10 -","- C88 H92 N4 O20 -","2","1","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Rissanen, Kari","Conformational changes in Cmethyl-resorcinarene pyridine N-oxide inclusion complexes in the solid state","CrystEngComm","2016","18","26","4971","","10.1039/C6CE00240D","","x-ray","0.71073","MoKα","","0.0855","0.0518","","","0.1154","0.1339","","","","","","1.05","","","","has coordinates","185191","2020-10-21","18:00:00",""
"7224404","11.6839","0.0004","13.6838","0.0006","14.7557","0.0006","67.409","0.004","89.351","0.003","67.249","0.004","1982.39","0.17","120","0.1","120","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C45 H50 N2 O11 -","- C45 H50 N2 O11 -","- C90 H100 N4 O22 -","2","1","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Rissanen, Kari","Conformational changes in Cmethyl-resorcinarene pyridine N-oxide inclusion complexes in the solid state","CrystEngComm","2016","18","26","4971","","10.1039/C6CE00240D","","x-ray","1.54184","CuKα","","0.0431","0.037","","","0.0973","0.1031","","","","","","1.023","","","","has coordinates","185191","2020-10-21","18:00:00",""
"7224405","18.6065","0.0003","14.6623","0.0003","14.2271","0.0003","90","","102.641","0.0018","90","","3787.27","0.13","123","","123","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H46 N2 O12 -","- C44 H46 N2 O12 -","- C176 H184 N8 O48 -","4","0.5","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Rissanen, Kari","Conformational changes in Cmethyl-resorcinarene pyridine N-oxide inclusion complexes in the solid state","CrystEngComm","2016","18","26","4971","","10.1039/C6CE00240D","","x-ray","1.54184","CuKα","","0.0352","0.0324","","","0.0816","0.0839","","","","","","1.05","","","","has coordinates","185191","2020-10-21","18:00:00",""
"7224406","10.8492","0.0006","20.9713","0.0008","11.4872","0.0006","90","","107.111","0.006","90","","2497.9","0.2","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C48 H64 N4 O20 -","- C48 H64 N4 O20 -","- C96 H128 N8 O40 -","2","1","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Rissanen, Kari","Conformational changes in Cmethyl-resorcinarene pyridine N-oxide inclusion complexes in the solid state","CrystEngComm","2016","18","26","4971","","10.1039/C6CE00240D","","x-ray","0.71073","MoKα","","0.0814","0.0668","","","0.1763","0.1896","","","","","","1.024","","","","has coordinates,has disorder","185191","2020-10-21","18:00:00",""
"7224407","13.3203","0.0004","16.1527","0.0004","20.8931","0.0004","90","","100.307","0.002","90","","4422.79","0.19","120","0.1","120","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H50 N2 O10 -","- C54 H50 N2 O10 -","- C216 H200 N8 O40 -","4","1","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Rissanen, Kari","Conformational changes in Cmethyl-resorcinarene pyridine N-oxide inclusion complexes in the solid state","CrystEngComm","2016","18","26","4971","","10.1039/C6CE00240D","","x-ray","1.54184","CuKα","","0.0633","0.039","","","0.0943","0.1011","","","","","","0.871","","","","has coordinates","185191","2020-10-21","18:00:00",""
"7224408","16.5611","0.0004","20.8203","0.0008","14.9973","0.0004","90","","90","","90","","5171.2","0.3","123.01","0.1","123.01","0.1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C53 H58 N2 O16 -","- C53 H58 N2 O16 -","- C212 H232 N8 O64 -","4","0.5","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Rissanen, Kari","Conformational changes in Cmethyl-resorcinarene pyridine N-oxide inclusion complexes in the solid state","CrystEngComm","2016","18","26","4971","","10.1039/C6CE00240D","","x-ray","1.54184","CuKα","","0.067","0.0542","","","0.149","0.159","","","","","","1.058","","","","has coordinates,has disorder","185191","2020-10-21","18:00:00",""
"7224427","14.6","0.001","17.903","0.001","23.642","0.002","90","","90","","90","","6179.6","0.8","190","2","190","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C70 H88 O16 P2 -","- C64 H73 O16 P2 -","- C256 H292 O64 P8 -","4","1","","Barboza, T.; Pinalli, R.; Massera, C.; Dalcanale, E.","Diphosphonate cavitands as molecular cups forl-lactic acid","CrystEngComm","2016","18","26","4958","","10.1039/C6CE00270F","","","0.71069","MoKα","","0.0947","0.0754","","","0.2274","0.2523","","","","","","0.999","","","","has coordinates","185193","2020-10-21","18:00:00",""
"7224428","19.079","0.001","21.608","0.001","26.346","0.002","90","","90","","90","","10861.4","1.1","190","2","190","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C61 H68 O13 P2 -","- C61 H68 O13 P2 -","- C488 H544 O104 P16 -","8","2","","Barboza, T.; Pinalli, R.; Massera, C.; Dalcanale, E.","Diphosphonate cavitands as molecular cups forl-lactic acid","CrystEngComm","2016","18","26","4958","","10.1039/C6CE00270F","","","0.71069","MoKα","","0.1458","0.0824","","","0.2204","0.2711","","","","","","1.011","","","","has coordinates","185193","2020-10-21","18:00:00",""
"7224429","9.7558","0.0002","10.5549","0.0002","16.5111","0.0004","90","","112.447","0.002","90","","1571.36","0.06","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H15 Eu N O12 P -","- C8 H15 Eu N O12 P -","- C32 H60 Eu4 N4 O48 P4 -","4","1","","Wang, Guang-Tu; Zhang, Jing-Chuan; Tang, Zeng-Yi; Zhou, Heng-Tai; Zhang, Li; Yang, Rui-Wu; Zou, Ping; Yu, Ying-Hui; Gao, Jin-Sheng; Hou, Guang-Feng","Synthesis, structures, luminescence and magnetism of nine lanthanide complexes with three-dimensional frameworks constructed from 2-(pyridyl-N-oxide)methylphosphonic acid and oxalic acid","CrystEngComm","2016","18","14","2437","","10.1039/C6CE00023A","","","0.71073","MoKα","","0.0278","0.0247","","","0.0593","0.0612","","","","","","1.025","","","","has coordinates","181624","2020-10-21","18:00:00",""
"7224430","9.7306","0.0019","10.53","0.002","16.416","0.005","90","","112.13","0.02","90","","1558.1","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H15 Gd N O12 P -","- C8 H15 Gd N O12 P -","- C32 H60 Gd4 N4 O48 P4 -","4","1","","Wang, Guang-Tu; Zhang, Jing-Chuan; Tang, Zeng-Yi; Zhou, Heng-Tai; Zhang, Li; Yang, Rui-Wu; Zou, Ping; Yu, Ying-Hui; Gao, Jin-Sheng; Hou, Guang-Feng","Synthesis, structures, luminescence and magnetism of nine lanthanide complexes with three-dimensional frameworks constructed from 2-(pyridyl-N-oxide)methylphosphonic acid and oxalic acid","CrystEngComm","2016","18","14","2437","","10.1039/C6CE00023A","","","0.71073","MoKα","","0.0261","0.0246","","","0.0606","0.0614","","","","","","1.153","","","","has coordinates","181624","2020-10-21","18:00:00",""
"7224431","9.7284","0.0003","10.4717","0.0003","16.4594","0.0006","90","","112.511","0.003","90","","1549.01","0.09","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H15 N O12 P Tb -","- C8 H15 N O12 P Tb -","- C32 H60 N4 O48 P4 Tb4 -","4","1","","Wang, Guang-Tu; Zhang, Jing-Chuan; Tang, Zeng-Yi; Zhou, Heng-Tai; Zhang, Li; Yang, Rui-Wu; Zou, Ping; Yu, Ying-Hui; Gao, Jin-Sheng; Hou, Guang-Feng","Synthesis, structures, luminescence and magnetism of nine lanthanide complexes with three-dimensional frameworks constructed from 2-(pyridyl-N-oxide)methylphosphonic acid and oxalic acid","CrystEngComm","2016","18","14","2437","","10.1039/C6CE00023A","","","0.71073","MoKα","","0.0243","0.022","","","0.0541","0.0552","","","","","","1.092","","","","has coordinates","181624","2020-10-21","18:00:00",""
"7224432","9.7192","0.0002","10.4517","0.0002","16.4217","0.0004","90","","112.58","0.002","90","","1540.28","0.06","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H15 Dy N O12 P -","- C8 H15 Dy N O12 P -","- C32 H60 Dy4 N4 O48 P4 -","4","1","","Wang, Guang-Tu; Zhang, Jing-Chuan; Tang, Zeng-Yi; Zhou, Heng-Tai; Zhang, Li; Yang, Rui-Wu; Zou, Ping; Yu, Ying-Hui; Gao, Jin-Sheng; Hou, Guang-Feng","Synthesis, structures, luminescence and magnetism of nine lanthanide complexes with three-dimensional frameworks constructed from 2-(pyridyl-N-oxide)methylphosphonic acid and oxalic acid","CrystEngComm","2016","18","14","2437","","10.1039/C6CE00023A","","","0.71073","MoKα","","0.0264","0.0239","","","0.0605","0.0618","","","","","","1.07","","","","has coordinates","181624","2020-10-21","18:00:00",""
"7224433","9.7216","0.0003","10.4273","0.0003","16.4046","0.0006","90","","112.678","0.003","90","","1534.37","0.09","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H15 Ho N O12 P -","- C8 H15 Ho N O12 P -","- C32 H60 Ho4 N4 O48 P4 -","4","1","","Wang, Guang-Tu; Zhang, Jing-Chuan; Tang, Zeng-Yi; Zhou, Heng-Tai; Zhang, Li; Yang, Rui-Wu; Zou, Ping; Yu, Ying-Hui; Gao, Jin-Sheng; Hou, Guang-Feng","Synthesis, structures, luminescence and magnetism of nine lanthanide complexes with three-dimensional frameworks constructed from 2-(pyridyl-N-oxide)methylphosphonic acid and oxalic acid","CrystEngComm","2016","18","14","2437","","10.1039/C6CE00023A","","","0.71073","MoKα","","0.0251","0.0228","","","0.0552","0.0568","","","","","","1.016","","","","has coordinates","181624","2020-10-21","18:00:00",""
"7224434","10.989","0.002","11.526","0.002","14.98","0.003","90","","90","","90","","1897.4","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 Er2 N O16 P -","- C10 H14 Er2 N O16 P -","- C40 H56 Er8 N4 O64 P4 -","4","1","","Wang, Guang-Tu; Zhang, Jing-Chuan; Tang, Zeng-Yi; Zhou, Heng-Tai; Zhang, Li; Yang, Rui-Wu; Zou, Ping; Yu, Ying-Hui; Gao, Jin-Sheng; Hou, Guang-Feng","Synthesis, structures, luminescence and magnetism of nine lanthanide complexes with three-dimensional frameworks constructed from 2-(pyridyl-N-oxide)methylphosphonic acid and oxalic acid","CrystEngComm","2016","18","14","2437","","10.1039/C6CE00023A","","","0.71073","MoKα","","0.0161","0.0157","","","0.0396","0.0397","","","","","","1.073","","","","has coordinates","181624","2020-10-21","18:00:00",""
"7224435","10.9138","0.0003","11.4793","0.0003","14.9124","0.0003","90","","90","","90","","1868.27","0.08","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 N O16 P Tm2 -","- C10 H14 N O16 P Tm2 -","- C40 H56 N4 O64 P4 Tm8 -","4","1","","Wang, Guang-Tu; Zhang, Jing-Chuan; Tang, Zeng-Yi; Zhou, Heng-Tai; Zhang, Li; Yang, Rui-Wu; Zou, Ping; Yu, Ying-Hui; Gao, Jin-Sheng; Hou, Guang-Feng","Synthesis, structures, luminescence and magnetism of nine lanthanide complexes with three-dimensional frameworks constructed from 2-(pyridyl-N-oxide)methylphosphonic acid and oxalic acid","CrystEngComm","2016","18","14","2437","","10.1039/C6CE00023A","","","0.71073","MoKα","","0.0338","0.033","","","0.0832","0.0839","","","","","","1.049","","","","has coordinates","181624","2020-10-21","18:00:00",""
"7224436","10.901","0.002","11.447","0.002","14.89","0.003","90","","90","","90","","1858","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 N O16 P Yb2 -","- C10 H14 N O16 P Yb2 -","- C40 H56 N4 O64 P4 Yb8 -","4","1","","Wang, Guang-Tu; Zhang, Jing-Chuan; Tang, Zeng-Yi; Zhou, Heng-Tai; Zhang, Li; Yang, Rui-Wu; Zou, Ping; Yu, Ying-Hui; Gao, Jin-Sheng; Hou, Guang-Feng","Synthesis, structures, luminescence and magnetism of nine lanthanide complexes with three-dimensional frameworks constructed from 2-(pyridyl-N-oxide)methylphosphonic acid and oxalic acid","CrystEngComm","2016","18","14","2437","","10.1039/C6CE00023A","","","0.71073","MoKα","","0.0247","0.0234","","","0.0463","0.0466","","","","","","1.147","","","","has coordinates","181624","2020-10-21","18:00:00",""
"7224437","10.8491","0.0002","11.4465","0.0002","14.8471","0.0003","90","","90","","90","","1843.78","0.06","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 Lu2 N O16 P -","- C10 H14 Lu2 N O16 P -","- C40 H56 Lu8 N4 O64 P4 -","4","1","","Wang, Guang-Tu; Zhang, Jing-Chuan; Tang, Zeng-Yi; Zhou, Heng-Tai; Zhang, Li; Yang, Rui-Wu; Zou, Ping; Yu, Ying-Hui; Gao, Jin-Sheng; Hou, Guang-Feng","Synthesis, structures, luminescence and magnetism of nine lanthanide complexes with three-dimensional frameworks constructed from 2-(pyridyl-N-oxide)methylphosphonic acid and oxalic acid","CrystEngComm","2016","18","14","2437","","10.1039/C6CE00023A","","","0.71073","MoKα","","0.0276","0.0257","","","0.0527","0.0535","","","","","","1.063","","","","has coordinates","181624","2020-10-21","18:00:00",""
"7224439","15.198","0.003","15.38","0.004","16.755","0.004","79.01","0.03","69.01","0.03","60.419","0.018","3179.5","1.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C128 H152 F24 N6 O24 P4 -","- C128 H152 F24 N6 O24 P4 -","- C128 H152 F24 N6 O24 P4 -","1","0.5","","Han, Ying; Liang, Tong-Ling; Hao, Xiang; Chen, Chuan-Feng","Solid-state “Russian doll”-like capsules based on a triptycene-derived macrotricyclic host with paraquat derivative and polycyclic aromatic hydrocarbons","CrystEngComm","2016","18","26","4900","","10.1039/C6CE00204H","","","0.71073","MoKα","","0.2324","0.1877","","","0.4038","0.4518","","","","","","2.114","","","","has coordinates","185187","2020-10-21","18:00:00",""
"7224440","16.467","0.004","16.942","0.005","26.1","0.007","81.578","0.009","83.78","0.011","85.515","0.012","7146","3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C128 H148 F24 N4 O24 P4 -","- C128 H148 F24 N4 O24 P4 -","- C256 H296 F48 N8 O48 P8 -","2","1","","Han, Ying; Liang, Tong-Ling; Hao, Xiang; Chen, Chuan-Feng","Solid-state “Russian doll”-like capsules based on a triptycene-derived macrotricyclic host with paraquat derivative and polycyclic aromatic hydrocarbons","CrystEngComm","2016","18","26","4900","","10.1039/C6CE00204H","","","0.71073","MoKα","","0.23","0.1657","","","0.38","0.4074","","","","","","1.656","","","","has coordinates","185187","2020-10-21","18:00:00",""
"7224441","15.07","0.004","15.155","0.003","16.795","0.004","69.85","0.02","78.78","0.02","60.465","0.016","3131.6","1.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C118 H146 F24 N6 O24 P4 S4 -","- C118 H146 F24 N6 O24 P4 S4 -","- C118 H146 F24 N6 O24 P4 S4 -","1","0.5","","Han, Ying; Liang, Tong-Ling; Hao, Xiang; Chen, Chuan-Feng","Solid-state “Russian doll”-like capsules based on a triptycene-derived macrotricyclic host with paraquat derivative and polycyclic aromatic hydrocarbons","CrystEngComm","2016","18","26","4900","","10.1039/C6CE00204H","","","0.71073","MoKα","","0.1697","0.135","","","0.3082","0.3333","","","","","","1.433","","","","has coordinates","185187","2020-10-21","18:00:00",""
"7224442","15.109","0.003","15.144","0.003","16.813","0.003","79.04","0.03","69.65","0.03","60.46","0.03","3137.2","1.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C120 H146 F24 N6 O24 P4 S3 -","- C120 H146 F24 N6 O24 P4 S3 -","- C120 H146 F24 N6 O24 P4 S3 -","1","0.5","","Han, Ying; Liang, Tong-Ling; Hao, Xiang; Chen, Chuan-Feng","Solid-state “Russian doll”-like capsules based on a triptycene-derived macrotricyclic host with paraquat derivative and polycyclic aromatic hydrocarbons","CrystEngComm","2016","18","26","4900","","10.1039/C6CE00204H","","","0.71073","MoKα","","0.1569","0.1348","","","0.3371","0.3623","","","","","","2.13","","","","has coordinates,has disorder","185187","2020-10-21","18:00:00",""
"7224443","7.0536","0.0019","9.661","0.003","18.08","0.005","84.809","0.005","78.965","0.005","80.563","0.005","1190.7","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H24 Cl3 N6 O3 Sm -","- C20 H24 Cl3 N6 O3 Sm -","- C40 H48 Cl6 N12 O6 Sm2 -","2","1","","Dasari, Srikanth; Abbas, Zafar; Kumar, Priyaranjan; Patra, Ashis K.","Photosensitized samarium(iii) and erbium(iii) complexes of planar N,N-donor heterocyclic bases: crystal structures and evaluation of biological activity","CrystEngComm","2016","18","23","4313","","10.1039/C5CE02387D","","","0.71073","MoKα","","0.028","0.0254","","","0.0618","0.063","","","","","","1.093","","","","has coordinates","185282","2020-10-21","18:00:00",""
"7224444","7.0374","0.0007","9.4788","0.001","20.619","0.002","93.687","0.003","99.462","0.003","98.885","0.002","1334.7","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H26 Cl3 N6 O3 Sm -","- C24 H24 Cl3 N6 O3 Sm -","- C48 H48 Cl6 N12 O6 Sm2 -","2","1","","Dasari, Srikanth; Abbas, Zafar; Kumar, Priyaranjan; Patra, Ashis K.","Photosensitized samarium(iii) and erbium(iii) complexes of planar N,N-donor heterocyclic bases: crystal structures and evaluation of biological activity","CrystEngComm","2016","18","23","4313","","10.1039/C5CE02387D","","","0.71073","MoKα","","0.0375","0.0297","","","0.0755","0.0928","","","","","","1.194","","","","has coordinates","185282","2020-10-21","18:00:00",""
"7224445","7.8039","0.0008","12.3957","0.0013","12.9005","0.0014","75.916","0.002","75.023","0.002","82.22","0.002","1165.8","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Erdpq1","","","- C20 H22 Cl3 Er N6 O2 -","- C20 H22 Cl3 Er N6 O2 -","- C40 H44 Cl6 Er2 N12 O4 -","2","1","","Dasari, Srikanth; Abbas, Zafar; Kumar, Priyaranjan; Patra, Ashis K.","Photosensitized samarium(iii) and erbium(iii) complexes of planar N,N-donor heterocyclic bases: crystal structures and evaluation of biological activity","CrystEngComm","2016","18","23","4313","","10.1039/C5CE02387D","","","0.71073","MoKα","","0.0679","0.0652","","","0.2077","0.2089","","","","","","1.381","","","","has coordinates","185282","2020-10-21","18:00:00",""
"7224446","21.54","0.004","17.225","0.003","19.377","0.004","90","","90","","90","","7189","2","100","","100","","","","","","","","","5","P c c n","-P 2ab 2ac","56","Erdppz2","","","- C36 H20 Cl3 Er N8 -","- C36 H20 Cl3 Er N8 -","- C288 H160 Cl24 Er8 N64 -","8","1","","Dasari, Srikanth; Abbas, Zafar; Kumar, Priyaranjan; Patra, Ashis K.","Photosensitized samarium(iii) and erbium(iii) complexes of planar N,N-donor heterocyclic bases: crystal structures and evaluation of biological activity","CrystEngComm","2016","18","23","4313","","10.1039/C5CE02387D","","","0.71073","MoKα","","0.0445","0.0343","","","0.0825","0.0872","","","","","","1.049","","","","has coordinates","185282","2020-10-21","18:00:00",""
"7224447","8.5167","0.0004","8.9163","0.0004","22.2579","0.001","90","","90","","90","","1690.21","0.13","295","","295","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H12 Cd N4 O2 S2 -","- C14 H12 Cd N4 O2 S2 -","- C56 H48 Cd4 N16 O8 S8 -","4","1","","Nawrot, I.; Machura, B.; Kruszynski, R.","Exploration of Cd(ii)/pseudohalide/di-2-pyridyl ketone chemistry ‒ rational synthesis, structural analysis and photoluminescence","CrystEngComm","2016","18","15","2650","","10.1039/C6CE00112B","","","0.71073","MoKα","","0.0346","0.0284","","","0.0592","0.0612","","","","","","1.063","","","","has coordinates","182642","2020-10-21","18:00:00",""
"7224448","8.5984","0.0006","9.9463","0.0007","10.6576","0.0006","100.46","0.005","108.911","0.005","92.653","0.005","842.5","0.1","295","","295","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H24 Cd2 N8 O4 S4 -","- C28 H24 Cd2 N8 O4 S4 -","- C28 H24 Cd2 N8 O4 S4 -","1","0.5","","Nawrot, I.; Machura, B.; Kruszynski, R.","Exploration of Cd(ii)/pseudohalide/di-2-pyridyl ketone chemistry ‒ rational synthesis, structural analysis and photoluminescence","CrystEngComm","2016","18","15","2650","","10.1039/C6CE00112B","","","0.71073","MoKα","","0.0558","0.0426","","","0.0962","0.101","","","","","","1.017","","","","has coordinates","182642","2020-10-21","18:00:00",""
"7224449","18.418","0.0005","18.418","0.0005","30.698","0.002","90","","90","","90","","10413.5","0.8","295","","295","","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C48 H44 Cd4 N20 O8 -","- C48 H44 Cd4 N20 O8 -","- C384 H352 Cd32 N160 O64 -","8","0.25","","Nawrot, I.; Machura, B.; Kruszynski, R.","Exploration of Cd(ii)/pseudohalide/di-2-pyridyl ketone chemistry ‒ rational synthesis, structural analysis and photoluminescence","CrystEngComm","2016","18","15","2650","","10.1039/C6CE00112B","","","0.71073","MoKα","","0.0717","0.0384","","","0.0832","0.0953","","","","","","1.031","","","","has coordinates","182642","2020-10-21","18:00:00",""
"7224450","13.498","0.0005","12.6484","0.0006","15.9441","0.0006","90","","107.628","0.004","90","","2594.28","0.19","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H40 Cd4 N20 O8 -","- C46 H40 Cd4 N20 O8 -","- C92 H80 Cd8 N40 O16 -","2","0.5","","Nawrot, I.; Machura, B.; Kruszynski, R.","Exploration of Cd(ii)/pseudohalide/di-2-pyridyl ketone chemistry ‒ rational synthesis, structural analysis and photoluminescence","CrystEngComm","2016","18","15","2650","","10.1039/C6CE00112B","","","0.71073","MoKα","","0.0513","0.0303","","","0.0596","0.0649","","","","","","0.978","","","","has coordinates","182642","2020-10-21","18:00:00",""
"7224451","18.469","0.0007","18.469","0.0007","30.558","0.002","90","","90","","90","","10423.5","0.9","295","","295","","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C52 H44 Cd4 N12 O12 -","- C52 H44 Cd4 N12 O12 -","- C416 H352 Cd32 N96 O96 -","8","0.25","","Nawrot, I.; Machura, B.; Kruszynski, R.","Exploration of Cd(ii)/pseudohalide/di-2-pyridyl ketone chemistry ‒ rational synthesis, structural analysis and photoluminescence","CrystEngComm","2016","18","15","2650","","10.1039/C6CE00112B","","","0.71073","MoKα","","0.0838","0.0579","","","0.1339","0.15","","","","","","0.994","","","","has coordinates","182642","2020-10-21","18:00:00",""
"7224452","13.479","0.0009","12.6998","0.0006","15.9841","0.0013","90","","106.524","0.008","90","","2623.2","0.3","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H40 Cd4 N12 O12 -","- C50 H40 Cd4 N12 O12 -","- C100 H80 Cd8 N24 O24 -","2","0.5","","Nawrot, I.; Machura, B.; Kruszynski, R.","Exploration of Cd(ii)/pseudohalide/di-2-pyridyl ketone chemistry ‒ rational synthesis, structural analysis and photoluminescence","CrystEngComm","2016","18","15","2650","","10.1039/C6CE00112B","","","0.71073","MoKα","","0.0835","0.0561","","","0.1395","0.1556","","","","","","1.029","","","","has coordinates","182642","2020-10-21","18:00:00",""
"7224453","13.4664","0.0006","12.4449","0.0005","16.1614","0.0007","90","","100.398","0.005","90","","2664","0.2","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H40 Cd4 N16 O14 -","- C46 H40 Cd4 N16 O14 -","- C92 H80 Cd8 N32 O28 -","2","0.5","","Nawrot, I.; Machura, B.; Kruszynski, R.","Exploration of Cd(ii)/pseudohalide/di-2-pyridyl ketone chemistry ‒ rational synthesis, structural analysis and photoluminescence","CrystEngComm","2016","18","15","2650","","10.1039/C6CE00112B","","","0.71073","MoKα","","0.0549","0.0376","","","0.086","0.0947","","","","","","1.058","","","","has coordinates","182642","2020-10-21","18:00:00",""
"7224454","13.3914","0.0006","12.5725","0.0005","16.135","0.0009","90","","101.274","0.004","90","","2664.1","0.2","293","0.2","293","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H40 Cd4 N12 O16 -","- C48 H40 Cd4 N12 O16 -","- C96 H80 Cd8 N24 O32 -","2","0.5","","Nawrot, I.; Machura, B.; Kruszynski, R.","Exploration of Cd(ii)/pseudohalide/di-2-pyridyl ketone chemistry ‒ rational synthesis, structural analysis and photoluminescence","CrystEngComm","2016","18","15","2650","","10.1039/C6CE00112B","","","0.71073","MoKα","","0.0773","0.0592","","","0.1523","0.1677","","","","","","1.046","","","","has coordinates","182642","2020-10-21","18:00:00",""
"7224455","12.5084","0.0005","19.1468","0.0009","22.4328","0.0009","90","","90","","90","","5372.6","0.4","295","","295","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C48 H40 Cd4 N12 O16 -","- C48 H40 Cd4 N12 O16 -","- C192 H160 Cd16 N48 O64 -","4","0.5","","Nawrot, I.; Machura, B.; Kruszynski, R.","Exploration of Cd(ii)/pseudohalide/di-2-pyridyl ketone chemistry ‒ rational synthesis, structural analysis and photoluminescence","CrystEngComm","2016","18","15","2650","","10.1039/C6CE00112B","","","0.71073","MoKα","","0.1019","0.0571","","","0.0979","0.1092","","","","","","1.09","","","","has coordinates","182642","2020-10-21","18:00:00",""
"7224456","39.7415","0.0016","14.3866","0.0006","15.6815","0.0006","90","","103.11","0.0016","90","","8732.1","0.6","180","","180","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H46 I2 O4 -","- C40 H46 I2 O4 -","- C320 H368 I16 O32 -","8","1","","Slavík, Petr; Eigner, Václav; Lhoták, Pavel","Shaping of calix[4]arenes via double bridging of the upper rim","CrystEngComm","2016","18","26","4964","","10.1039/C6CE00314A","","","1.5418","CuKα","","0.0918","0.0809","","0.23","0.2139","0.23","","","","","","0.9725","","","","has coordinates,has disorder","185198","2020-10-21","18:00:00",""
"7224457","29.0803","0.001","9.4848","0.0003","15.2528","0.0005","90","","90","","90","","4207","0.2","180","","180","","","","101","","","","","3","P c a 21","P 2c -2ac","29","","","","- C44.82 H53.64 O9.41 -","- C44.82 H53.64 O9.414 -","- C179.28 H214.56 O37.656 -","4","1","","Slavík, Petr; Eigner, Václav; Lhoták, Pavel","Shaping of calix[4]arenes via double bridging of the upper rim","CrystEngComm","2016","18","26","4964","","10.1039/C6CE00314A","","","1.54178","CuKα","","0.0522","0.0516","","0.1246","0.1244","0.1246","","","","","","1.0377","","","","has coordinates,has disorder","185198","2020-10-21","18:00:00",""
"7224458","13.8543","0.001","13.8543","0.001","9.9079","0.001","90","","90","","90","","1901.7","0.3","180","","180","","","","101","","","","","4","P -4 21 m","P -4 2ab","113","","","","- C42.54 H45.07 Cl1.07 O6 -","- C42.536 H45.072 Cl1.072 O6 -","- C85.072 H90.144 Cl2.144 O12 -","2","0.25","","Slavík, Petr; Eigner, Václav; Lhoták, Pavel","Shaping of calix[4]arenes via double bridging of the upper rim","CrystEngComm","2016","18","26","4964","","10.1039/C6CE00314A","","","1.54184","CuKα","","0.0622","0.0584","","0.1459","0.1417","0.1459","","","","","","0.9885","","","","has coordinates,has disorder","185198","2020-10-21","18:00:00",""
"7224459","13.23816","0.00015","35.6977","0.0007","30.7491","0.0004","90","","91.61","0.0012","90","","14525.4","0.4","120","","120","","","","101","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C169 H198 Cl2 O26 -","- C169 H198 Cl2 O26 -","- C676 H792 Cl8 O104 -","4","1","","Slavík, Petr; Eigner, Václav; Lhoták, Pavel","Shaping of calix[4]arenes via double bridging of the upper rim","CrystEngComm","2016","18","26","4964","","10.1039/C6CE00314A","","","1.5418","CuKα","","0.1144","0.0919","","0.1617","0.1535","0.1616","","","","","","0.9319","","","","has coordinates,has disorder","185198","2020-10-21","18:00:00",""
"7224468","22.595","0.0003","25.026","0.0003","25.1004","0.0003","90","","109.726","0.001","90","","13360.4","0.3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C209 H309 Cl2 N11 Nd10 O86 P4 S16 -","- C190 H220 Cl2 N8 Nd10 O76 P4 S16 -","- C380 H440 Cl4 N16 Nd20 O152 P8 S32 -","2","0.5","","Su, Kongzhao; Jiang, Feilong; Wu, Mingyan; Qian, Jinjie; Pang, Jiandong; Yuan, Daqiang; Hong, Maochun","Syntheses, structures, luminescence and magnetic properties of three high-nuclearity neodymium compounds based on mixed sulfonylcalix[4]arene-phosphonate ligands","CrystEngComm","2016","18","26","4921","","10.1039/C6CE00092D","","","1.54184","CuKα","","0.0455","0.0371","","","0.0965","0.102","","","","","","1.018","","","","has coordinates","185194","2020-10-21","18:00:00",""
"7224469","22.16","0.0002","39.5294","0.0004","32.4297","0.0003","90","","105.798","0.001","90","","27334.5","0.5","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C215 H309 Cl3 N19 Nd11 O81 P6 S12 -","- C204 H272 Cl3 N16 Nd11 O76 P6 S12 -","- C816 H1088 Cl12 N64 Nd44 O304 P24 S48 -","4","1","","Su, Kongzhao; Jiang, Feilong; Wu, Mingyan; Qian, Jinjie; Pang, Jiandong; Yuan, Daqiang; Hong, Maochun","Syntheses, structures, luminescence and magnetic properties of three high-nuclearity neodymium compounds based on mixed sulfonylcalix[4]arene-phosphonate ligands","CrystEngComm","2016","18","26","4921","","10.1039/C6CE00092D","","","1.54184","CuKα","","0.0906","0.0663","","","0.1667","0.179","","","","","","1.055","","","","has coordinates","185194","2020-10-21","18:00:00",""
"7224470","23.9081","0.0004","26.1353","0.0005","43.1391","0.0005","72.952","0.001","75.918","0.001","63.911","0.002","22938.8","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C326 H491 N23 Nd19 O159 P5 S20 -","- C279 H234 N12 Nd19 O134 P5 S20 -","- C558 H468 N24 Nd38 O268 P10 S40 -","2","1","","Su, Kongzhao; Jiang, Feilong; Wu, Mingyan; Qian, Jinjie; Pang, Jiandong; Yuan, Daqiang; Hong, Maochun","Syntheses, structures, luminescence and magnetic properties of three high-nuclearity neodymium compounds based on mixed sulfonylcalix[4]arene-phosphonate ligands","CrystEngComm","2016","18","26","4921","","10.1039/C6CE00092D","","","1.54184","CuKα","","0.1097","0.0662","","","0.181","0.1996","","","","","","1.074","","","","has coordinates","185194","2020-10-21","18:00:00",""
"7224479","27.509","0.003","7.6304","0.0008","16.2294","0.0017","90","","119.061","0.005","90","","2977.7","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H10 N3 O4 Zn -","- C14 H10 N3 O4 Zn -","- C112 H80 N24 O32 Zn8 -","8","1","","Park, Min Kyung; Lim, Kwang Soo; Park, Ji Hey; Song, Jeong Hwa; Kang, Dong Won; Lee, Woo Ram; Hong, Chang Seop","Two- and three-dimensional Zn(ii) coordination polymers constructed from mixed ligand systems: interpenetration, structural transformation and sensing behavior","CrystEngComm","2016","18","23","4349","","10.1039/C6CE00155F","","","0.71073","MoKα","","0.0416","0.0342","","","0.092","0.0948","","","","","","1.057","","","","has coordinates","185286","2020-10-21","18:00:00",""
"7224480","10.2372","0.0003","27.0204","0.0007","8.738","0.0002","90","","95.568","0.001","90","","2405.64","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 N5 O7 Zn -","- C25 H23 N5 O7 Zn -","- C100 H92 N20 O28 Zn4 -","4","1","","Park, Min Kyung; Lim, Kwang Soo; Park, Ji Hey; Song, Jeong Hwa; Kang, Dong Won; Lee, Woo Ram; Hong, Chang Seop","Two- and three-dimensional Zn(ii) coordination polymers constructed from mixed ligand systems: interpenetration, structural transformation and sensing behavior","CrystEngComm","2016","18","23","4349","","10.1039/C6CE00155F","","","0.71073","MoKα","","0.069","0.0567","","","0.1376","0.1523","","","","","","1.15","","","","has coordinates","185286","2020-10-21","18:00:00",""
"7224481","11.3869","0.0005","8.3323","0.0004","13.9637","0.0006","90","","96.31","0.003","90","","1316.84","0.1","296","2","296","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C20 H14 N4 O6 Zn -","- C20 H14 N4 O6 Zn -","- C40 H28 N8 O12 Zn2 -","2","0.5","","Park, Min Kyung; Lim, Kwang Soo; Park, Ji Hey; Song, Jeong Hwa; Kang, Dong Won; Lee, Woo Ram; Hong, Chang Seop","Two- and three-dimensional Zn(ii) coordination polymers constructed from mixed ligand systems: interpenetration, structural transformation and sensing behavior","CrystEngComm","2016","18","23","4349","","10.1039/C6CE00155F","","","0.71073","MoKα","","0.0519","0.0415","","","0.1078","0.1115","","","","","","1.084","","","","has coordinates","185286","2020-10-21","18:00:00",""
"7224482","12.8815","0.0009","15.2513","0.0011","14.1699","0.001","90","","92.331","0.004","90","","2781.5","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 N4 O6 Zn -","- C26 H18 N4 O6 Zn -","- C104 H72 N16 O24 Zn4 -","4","1","","Park, Min Kyung; Lim, Kwang Soo; Park, Ji Hey; Song, Jeong Hwa; Kang, Dong Won; Lee, Woo Ram; Hong, Chang Seop","Two- and three-dimensional Zn(ii) coordination polymers constructed from mixed ligand systems: interpenetration, structural transformation and sensing behavior","CrystEngComm","2016","18","23","4349","","10.1039/C6CE00155F","","","0.71073","MoKα","","0.0847","0.0469","","","0.1077","0.1175","","","","","","0.966","","","","has coordinates","185286","2020-10-21","18:00:00",""
"7224483","12.486","0.001","14.7786","0.001","13.7673","0.001","90","","104.077","0.003","90","","2464.1","0.3","170","2","170","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H50 Br N4 O18 S2 -","- C52 H50 Br N4 O18 S2 -","- C104 H100 Br2 N8 O36 S4 -","2","0.5","","Aulakh, Darpandeep; Nicoletta, Anthony P.; Varghese, Juby R.; Wriedt, Mario","The structural diversity and properties of nine new viologen based zwitterionic metal‒organic frameworks","CrystEngComm","2016","18","12","2189","","10.1039/C6CE00284F","","","0.71073","MoKα","","0.0672","0.0386","","","0.0888","0.1009","","","","","","1.013","","","","has coordinates","181602","2020-10-21","18:00:00",""
"7224484","13.257","0.0005","13.257","0.0005","31.1199","0.0014","90","","90","","90","","5469.3","0.4","170","2","170","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C26 H20 Br Cu N2 O4 -","- C26 H20 Br Cu N2 O4 -","- C208 H160 Br8 Cu8 N16 O32 -","8","0.5","","Aulakh, Darpandeep; Nicoletta, Anthony P.; Varghese, Juby R.; Wriedt, Mario","The structural diversity and properties of nine new viologen based zwitterionic metal‒organic frameworks","CrystEngComm","2016","18","12","2189","","10.1039/C6CE00284F","","","0.71073","MoKα","","0.0969","0.0652","","","0.192","0.2188","","","","","","1.038","","","","has coordinates","181602","2020-10-21","18:00:00",""
"7224485","34.9259","0.0006","34.9259","0.0006","27.7797","0.0006","90","","90","","120","","29346.3","1","170","2","170","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C180 H198 Br2 Mn4 N12 O81 -","- C180 H198 Br2.0001 Mn4 N12 O81 -","- C1080 H1188 Br12.0006 Mn24 N72 O486 -","6","0.333333","","Aulakh, Darpandeep; Nicoletta, Anthony P.; Varghese, Juby R.; Wriedt, Mario","The structural diversity and properties of nine new viologen based zwitterionic metal‒organic frameworks","CrystEngComm","2016","18","12","2189","","10.1039/C6CE00284F","","","0.71073","MoKα","","0.1088","0.0615","","","0.1627","0.189","","","","","","1.029","","","","has coordinates,has disorder","181602","2020-10-21","18:00:00",""
"7224486","35.0155","0.0008","35.0155","0.0008","27.5842","0.0007","90","","90","","120","","29289.5","1.2","170","2","170","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C180 H204 Br2 Co4 N12 O81 -","- C180 H204 Br2.0001 Co4 N12 O81 -","- C1080 H1224 Br12.0006 Co24 N72 O486 -","6","0.333333","","Aulakh, Darpandeep; Nicoletta, Anthony P.; Varghese, Juby R.; Wriedt, Mario","The structural diversity and properties of nine new viologen based zwitterionic metal‒organic frameworks","CrystEngComm","2016","18","12","2189","","10.1039/C6CE00284F","","","0.71073","MoKα","","0.0785","0.0492","","","0.1281","0.1436","","","","","","1.02","","","","has coordinates,has disorder","181602","2020-10-21","18:00:00",""
"7224487","35.0383","0.0017","35.0383","0.0017","27.5617","0.0012","90","","90","","120","","29304","2","170","2","170","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C180 H204 Br2 N12 Ni4 O81 -","- C180 H204 Br2.0001 N12 Ni4 O81 -","- C1080 H1224 Br12.0006 N72 Ni24 O486 -","6","0.333333","","Aulakh, Darpandeep; Nicoletta, Anthony P.; Varghese, Juby R.; Wriedt, Mario","The structural diversity and properties of nine new viologen based zwitterionic metal‒organic frameworks","CrystEngComm","2016","18","12","2189","","10.1039/C6CE00284F","","","0.71073","MoKα","","0.1001","0.0645","","","0.1729","0.1942","","","","","","1.033","","","","has coordinates,has disorder","181602","2020-10-21","18:00:00",""
"7224488","12.1281","0.0002","16.5109","0.0003","23.7085","0.0005","90","","93.5049","0.001","90","","4738.65","0.15","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H52 Cd N3 O19 -","- C47 H52 Cd N3 O19 -","- C188 H208 Cd4 N12 O76 -","4","1","","Aulakh, Darpandeep; Nicoletta, Anthony P.; Varghese, Juby R.; Wriedt, Mario","The structural diversity and properties of nine new viologen based zwitterionic metal‒organic frameworks","CrystEngComm","2016","18","12","2189","","10.1039/C6CE00284F","","","0.71073","MoKα","","0.0825","0.0439","","","0.0946","0.1123","","","","","","1","","","","has coordinates","181602","2020-10-21","18:00:00",""
"7224489","12.487","0.0006","16.035","0.0008","23.5332","0.0012","90","","94.808","0.0017","90","","4695.4","0.4","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H52 N3 O19 Zn -","- C47 H52 N3 O19 Zn -","- C188 H208 N12 O76 Zn4 -","4","1","","Aulakh, Darpandeep; Nicoletta, Anthony P.; Varghese, Juby R.; Wriedt, Mario","The structural diversity and properties of nine new viologen based zwitterionic metal‒organic frameworks","CrystEngComm","2016","18","12","2189","","10.1039/C6CE00284F","","","0.71073","MoKα","","0.1814","0.0677","","","0.1422","0.1848","","","","","","0.985","","","","has coordinates","181602","2020-10-21","18:00:00",""
"7224490","11.9508","0.0016","17.898","0.002","16.975","0.002","90","","93.774","0.005","90","","3623","0.8","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H36 Cu2 N6 O15 -","- C34 H36 Cu2 N6 O15 -","- C136 H144 Cu8 N24 O60 -","4","1","","Aulakh, Darpandeep; Nicoletta, Anthony P.; Varghese, Juby R.; Wriedt, Mario","The structural diversity and properties of nine new viologen based zwitterionic metal‒organic frameworks","CrystEngComm","2016","18","12","2189","","10.1039/C6CE00284F","","","0.71073","MoKα","","0.1744","0.09","","","0.1969","0.232","","","","","","1.029","","","","has coordinates,has disorder","181602","2020-10-21","18:00:00",""
"7224491","12.7183","0.0004","14.0183","0.0005","16.7134","0.0006","90","","110.776","0.0018","90","","2786.06","0.17","170","2","170","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H10 Cl2 N O2.17 Zn -","- C13 H10 Cl2 N O2.16665 Zn -","- C104 H80 Cl16 N8 O17.3332 Zn8 -","8","1","","Aulakh, Darpandeep; Nicoletta, Anthony P.; Varghese, Juby R.; Wriedt, Mario","The structural diversity and properties of nine new viologen based zwitterionic metal‒organic frameworks","CrystEngComm","2016","18","12","2189","","10.1039/C6CE00284F","","","0.71073","MoKα","","0.0703","0.0507","","","0.1601","0.1778","","","","","","1.062","","","","has coordinates","181602","2020-10-21","18:00:00",""
"7224492","8.1476","0.0017","8.2521","0.0018","12.398","0.003","80.843","0.008","72.38","0.007","67.642","0.007","733.8","0.3","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H26 Br2 N4 O10 Pd -","- C26 H26 Br2 N4 O10 Pd -","- C26 H26 Br2 N4 O10 Pd -","1","0.5","","Aulakh, Darpandeep; Nicoletta, Anthony P.; Varghese, Juby R.; Wriedt, Mario","The structural diversity and properties of nine new viologen based zwitterionic metal‒organic frameworks","CrystEngComm","2016","18","12","2189","","10.1039/C6CE00284F","","","0.71073","MoKα","","0.0966","0.0484","","","0.0942","0.1058","","","","","","0.989","","","","has coordinates","181602","2020-10-21","18:00:00",""
"7224499","36.657","0.003","36.657","0.003","10.461","0.0012","90","","90","","120","","12174","2","123","2","123","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C62 H50 N4 O2 Sn -","- C62 H50 N4 O2 Sn -","- C558 H450 N36 O18 Sn9 -","9","0.5","","Wang, S.; Knowles, G. P.; Chaffee, A. L.; Langford, S. J.","Selective CO2uptake and vapor adsorption study within Sn(iv) porphyrin crystals","CrystEngComm","2016","18","9","1515","","10.1039/C5CE02170G","","","0.71073","MoKα","","0.0969","0.0691","","","0.1869","0.2084","","","","","","1.147","","","","has coordinates","177566","2020-10-21","18:00:00",""
"7224500","7.372","0.004","21.35","0.011","9.953","0.006","90","","105.79","0.009","90","","1507.4","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[ZnCl(N3)(tzmb)]n","","","- C12 H10 Cl N9 Zn -","- C12 H10 Cl N9 Zn -","- C48 H40 Cl4 N36 Zn4 -","4","1","","Xiao, Yu; Wang, Shuai-Hua; Zhao, Ya-Ping; Zheng, Fa-Kun; Guo, Guo-Cong","Fluorescence and photochromic properties of a series of new Zn(ii)/Cd(ii) coordination compounds with a flexible semi-rigid tetrazole‒viologen derivative","CrystEngComm","2016","18","14","2524","","10.1039/C6CE00317F","","","0.71073","MoKα","","0.0405","0.0376","","","0.1","0.1021","","","","","","1.043","","","","has coordinates","181615","2020-10-21","18:00:00",""
"7224501","8.026","0.002","16.449","0.004","12.895","0.003","90","","102.776","0.008","90","","1660.2","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Zn2Cl3(OH)(tzmb)]n","","","- C12 H11 Cl3 N6 O Zn2 -","- C12 H11 Cl3 N6 O Zn2 -","- C48 H44 Cl12 N24 O4 Zn8 -","4","1","","Xiao, Yu; Wang, Shuai-Hua; Zhao, Ya-Ping; Zheng, Fa-Kun; Guo, Guo-Cong","Fluorescence and photochromic properties of a series of new Zn(ii)/Cd(ii) coordination compounds with a flexible semi-rigid tetrazole‒viologen derivative","CrystEngComm","2016","18","14","2524","","10.1039/C6CE00317F","","","0.71073","MoKα","","0.0627","0.0476","","","0.1176","0.125","","","","","","1.003","","","","has coordinates","181615","2020-10-21","18:00:00",""
"7224502","8.9251","0.0007","9.9975","0.0008","16.7168","0.0013","90","","90.338","0.006","90","","1491.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Cd2(N3)2(C2O4)(tzmb)2]n","","","- C26 H20 Cd2 N18 O4 -","- C26 H20 Cd2 N18 O4 -","- C52 H40 Cd4 N36 O8 -","2","0.5","","Xiao, Yu; Wang, Shuai-Hua; Zhao, Ya-Ping; Zheng, Fa-Kun; Guo, Guo-Cong","Fluorescence and photochromic properties of a series of new Zn(ii)/Cd(ii) coordination compounds with a flexible semi-rigid tetrazole‒viologen derivative","CrystEngComm","2016","18","14","2524","","10.1039/C6CE00317F","","","0.71073","MoKα","","0.0306","0.0267","","","0.0647","0.0682","","","","","","1.108","","","","has coordinates","181615","2020-10-21","18:00:00",""
"7224503","10.467","0.003","13.587","0.004","11.9","0.004","90","","112.036","0.007","90","","1568.7","0.8","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","[ZnCl(N3)(tzmb)]2??H2O","","","- C24 H22 Cl2 N18 O Zn2 -","- C24 H20 Cl2 N18 O Zn2 -","- C48 H40 Cl4 N36 O2 Zn4 -","2","1","","Xiao, Yu; Wang, Shuai-Hua; Zhao, Ya-Ping; Zheng, Fa-Kun; Guo, Guo-Cong","Fluorescence and photochromic properties of a series of new Zn(ii)/Cd(ii) coordination compounds with a flexible semi-rigid tetrazole‒viologen derivative","CrystEngComm","2016","18","14","2524","","10.1039/C6CE00317F","","","0.71073","MoKα","","0.0621","0.0522","","","0.128","0.1344","","","","","","1.063","","","","has coordinates","181615","2020-10-21","18:00:00",""
"7224504","33.046","0.004","9.0309","0.001","16.4592","0.0018","90","","90","","90","","4912","1","173","2","173","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C24 H32 Mn N2 O8 -","- C24 H32 Mn N2 O8 -","- C192 H256 Mn8 N16 O64 -","8","0.5","","Liao, Liang; Ingram, Conrad W.; Bacsa, John; Zhang, Z. John; Dinadayalane, Tandabany","A hydrogen bonded Co(ii) coordination complex and a triply interpenetrating 3-D manganese(ii) coordination polymer from diaza crown ether with dibenzoate sidearms","CrystEngComm","2016","18","14","2425","","10.1039/C6CE00360E","","","0.71073","MoKα","","0.0523","0.0489","","","0.1259","0.1299","","","","","","1.06","","","","has coordinates","181617","2020-10-21","18:00:00",""
"7224505","9.7472","0.0009","22.777","0.002","7.0903","0.0007","90","","131.453","0.006","90","","1179.8","0.2","100","2","100","2","","","","","","","","5","C 1 m 1","C -2y","8","","","","- C24 H32 Co N2 O8 -","- C24 H32 Co N2 O8 -","- C48 H64 Co2 N4 O16 -","2","0.5","","Liao, Liang; Ingram, Conrad W.; Bacsa, John; Zhang, Z. John; Dinadayalane, Tandabany","A hydrogen bonded Co(ii) coordination complex and a triply interpenetrating 3-D manganese(ii) coordination polymer from diaza crown ether with dibenzoate sidearms","CrystEngComm","2016","18","14","2425","","10.1039/C6CE00360E","","","0.71073","MoKα","","0.0476","0.0425","","","0.0894","0.0918","","","","","","1.031","","","","has coordinates","181617","2020-10-21","18:00:00",""
"7224506","10.6102","0.001","21.855","0.002","22.183","0.002","90","","90","","90","","5143.9","0.8","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C24 H34 Cl2 N2 O7 -","- C24 H34 Cl2 N2 O7 -","- C192 H272 Cl16 N16 O56 -","8","2","","Liao, Liang; Ingram, Conrad W.; Bacsa, John; Zhang, Z. John; Dinadayalane, Tandabany","A hydrogen bonded Co(ii) coordination complex and a triply interpenetrating 3-D manganese(ii) coordination polymer from diaza crown ether with dibenzoate sidearms","CrystEngComm","2016","18","14","2425","","10.1039/C6CE00360E","","","0.71073","MoKα","","0.097","0.0641","","","0.1327","0.1515","","","","","","1.028","","","","has coordinates","181617","2020-10-21","18:00:00",""
"7224507","9.261","0.003","10.162","0.003","21.929","0.007","90","","95.901","0.007","90","","2052.8","1.1","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H19 B N2 O2 -","- C26 H19 B N2 O2 -","- C104 H76 B4 N8 O8 -","4","1","","Deng, Ruiping; Li, Leijiao; Song, Mingxing; Zhao, Shuna; Zhou, Liang; Yao, Shuang","Synthesis and optoelectronic properties of oxadiazole coordinated boron complexes","CrystEngComm","2016","18","23","4382","","10.1039/C6CE00066E","","","0.71073","MoKα","","0.1326","0.0733","","","0.1669","0.2018","","","","","","0.987","","","","has coordinates","185281","2020-10-21","18:00:00",""
"7224508","10.9419","0.0004","11.4047","0.0005","14.4901","0.0007","97.473","0.004","107.198","0.004","105.458","0.004","1621.47","0.14","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H62 Cu6 N10 O38 -","- C52 H62 Cu6 N10 O38 -","- C52 H62 Cu6 N10 O38 -","1","0.5","","Liu, Lu; Peng, Yan-Fen; Lv, Xiu-Xiu; Li, Ke; Li, Bao-Long; Wu, Bing","Construction of three coordination polymers based on tetranuclear copper(ii) clusters: syntheses, structures and photocatalytic properties","CrystEngComm","2016","18","14","2490","","10.1039/C5CE02492G","","","0.71073","MoKα","","0.0449","0.0356","","","0.0885","0.0934","","","","","","1.043","","","","has coordinates","181622","2020-10-21","18:00:00",""
"7224509","12.5634","0.0005","10.1057","0.0005","18.1729","0.0009","90","","105.024","0.005","90","","2228.4","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H46 Cu4 N10 O18 -","- C38 H46 Cu4 N10 O18 -","- C76 H92 Cu8 N20 O36 -","2","0.5","","Liu, Lu; Peng, Yan-Fen; Lv, Xiu-Xiu; Li, Ke; Li, Bao-Long; Wu, Bing","Construction of three coordination polymers based on tetranuclear copper(ii) clusters: syntheses, structures and photocatalytic properties","CrystEngComm","2016","18","14","2490","","10.1039/C5CE02492G","","","0.71073","MoKα","","0.0489","0.0365","","","0.0832","0.0889","","","","","","1.008","","","","has coordinates","181622","2020-10-21","18:00:00",""
"7224510","10.1345","0.0007","10.674","0.0007","11.4983","0.0009","98.733","0.006","113.119","0.007","92.033","0.005","1124.48","0.15","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H46 Cu4 N10 O24 S2 -","- C32 H46 Cu4 N10 O24 S2 -","- C32 H46 Cu4 N10 O24 S2 -","1","0.5","","Liu, Lu; Peng, Yan-Fen; Lv, Xiu-Xiu; Li, Ke; Li, Bao-Long; Wu, Bing","Construction of three coordination polymers based on tetranuclear copper(ii) clusters: syntheses, structures and photocatalytic properties","CrystEngComm","2016","18","14","2490","","10.1039/C5CE02492G","","","0.71073","MoKα","","0.0556","0.039","","","0.0786","0.0855","","","","","","1.004","","","","has coordinates","181622","2020-10-21","18:00:00",""
"7224511","33.52","0.003","11.8717","0.0009","16.0987","0.0013","90","","105.855","0.002","90","","6162.6","0.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C2.13 H3.02 Br0.26 N0.55 O0.04 -","- C2.12766 H2.89362 Br0.255319 N0.553191 O0.0425532 -","- C200 H272 Br24 N52 O4 -","94","11.75","","Chen, Fei-Jian; Gao, Zi-Hao; Liang, Li-Li; Zhang, Jun; Du, Hong-Bin","Facile preparation of extra-large pore zeolite ITQ-37 based on supramolecular assemblies as structure-directing agents","CrystEngComm","2016","18","15","2735","","10.1039/C5CE02312B","","","0.71073","MoKα","","0.1202","0.0553","","","0.1496","0.173","","","","","","1.072","","","","has coordinates","182647","2020-10-21","18:00:00",""
"7224512","16.9052","0.0011","15.7416","0.001","16.3948","0.0011","90","","90","","90","","4362.9","0.5","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","tetrakisvinylpyridine bisisothiocyanato nickel(II) diindene","","- C48 H44 N6 Ni S2 -","- C48 H44 N6 Ni S2 -","- C192 H176 N24 Ni4 S8 -","4","1","","Wicht, Merrill M.; Su, Hong; Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Werner clathrate formation with polyaromatic hydrocarbons: comparison of different crystallisation methods","CrystEngComm","2016","18","14","2509","","10.1039/C5CE02185E","","","0.71073","MoKα","","0.0402","0.0354","","","0.0939","0.0976","","","","","","1.04","","","","has coordinates","181625","2020-10-21","18:00:00",""
"7224513","16.8137","0.0018","16.1198","0.0019","16.3865","0.0019","90","","90","","90","","4441.3","0.9","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Tetrakisvinylpyridine bisisothiocyanato nickel(II) dinaphthalene","","- C50 H44 N6 Ni S2 -","- C50 H44 N6 Ni S2 -","- C200 H176 N24 Ni4 S8 -","4","1","","Wicht, Merrill M.; Su, Hong; Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Werner clathrate formation with polyaromatic hydrocarbons: comparison of different crystallisation methods","CrystEngComm","2016","18","14","2509","","10.1039/C5CE02185E","","","0.71073","MoKα","","0.0731","0.0424","","","0.0744","0.0849","","","","","","1.003","","","","has coordinates","181625","2020-10-21","18:00:00",""
"7224514","16.7378","0.0012","16.1297","0.0012","16.4588","0.0012","90","","90","","90","","4443.5","0.6","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Tetrakisvinylpyridine bisisothiocyanato nickel(II) diazulene","","- C50 H44 N6 Ni S2 -","- C50 H44 N6 Ni S2 -","- C200 H176 N24 Ni4 S8 -","4","1","","Wicht, Merrill M.; Su, Hong; Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Werner clathrate formation with polyaromatic hydrocarbons: comparison of different crystallisation methods","CrystEngComm","2016","18","14","2509","","10.1039/C5CE02185E","","","0.71073","MoKα","","0.0351","0.0276","","","0.0611","0.0643","","","","","","1.014","","","","has coordinates,has disorder","181625","2020-10-21","18:00:00",""
"7224515","10.3322","0.001","16.8462","0.001","22.134","0.002","84.603","0.002","84.385","0.003","74.788","0.003","3690.4","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Tetrakisvinylpyridine bisisothiocyanato nickel(II) fluorene","","- C159 H142 N24 Ni4 S8 -","- C159 H142 N24 Ni4 S8 -","- C159 H142 N24 Ni4 S8 -","1","0.5","","Wicht, Merrill M.; Su, Hong; Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Werner clathrate formation with polyaromatic hydrocarbons: comparison of different crystallisation methods","CrystEngComm","2016","18","14","2509","","10.1039/C5CE02185E","","","0.71073","MoKα","","0.1403","0.0496","","","0.0911","0.1157","","","","","","1.001","","","","has coordinates,has disorder","181625","2020-10-21","18:00:00",""
"7224516","10.1821","0.0006","23.1916","0.0014","28.6186","0.0017","74.602","0.001","85.683","0.001","81.596","0.001","6440.7","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Tetrakisvinylpyridine bisisothiocyanato nickel(II) fluorene","","- C133 H122 N24 Ni4 S8 -","- C133 H112 N24 Ni4 S8 -","- C266 H224 N48 Ni8 S16 -","2","1","","Wicht, Merrill M.; Su, Hong; Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Werner clathrate formation with polyaromatic hydrocarbons: comparison of different crystallisation methods","CrystEngComm","2016","18","14","2509","","10.1039/C5CE02185E","","","0.71073","MoKα","","0.1735","0.1101","","","0.263","0.2973","","","","","","1.033","","","","has coordinates,has disorder","181625","2020-10-21","18:00:00",""
"7224517","10.4819","0.0009","16.8458","0.0014","22.569","0.0019","100.059","0.002","100.131","0.002","102.908","0.002","3727.6","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Tetrakisvinylpyridine bisisothiocyanato nickel(II) phenanthrene.benzene","","- C80 H72 N12 Ni2 S4 -","- C80 H72 N12 Ni2 S4 -","- C160 H144 N24 Ni4 S8 -","2","1","","Wicht, Merrill M.; Su, Hong; Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Werner clathrate formation with polyaromatic hydrocarbons: comparison of different crystallisation methods","CrystEngComm","2016","18","14","2509","","10.1039/C5CE02185E","","","0.71073","MoKα","","0.0663","0.0445","","","0.1122","0.1254","","","","","","1.022","","","","has coordinates,has disorder","181625","2020-10-21","18:00:00",""
"7224518","10.3117","0.0008","16.8992","0.0014","22.3886","0.0017","81.874","0.002","83.128","0.002","76.007","0.001","3732.8","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Tetrakisvinylpyridine bisisothiocycanato nickel(II) phenanthrene","","- C38.75 H34.25 N6 Ni S2 -","- C38.7499 H34.25 N6 Ni S1.9999 -","- C155 H137 N24 Ni4 S7.9996 -","4","2","","Wicht, Merrill M.; Su, Hong; Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Werner clathrate formation with polyaromatic hydrocarbons: comparison of different crystallisation methods","CrystEngComm","2016","18","14","2509","","10.1039/C5CE02185E","","","0.71073","MoKα","","0.1261","0.0561","","","0.1454","0.1808","","","","","","1.007","","","","has coordinates,has disorder","181625","2020-10-21","18:00:00",""
"7224519","10.1289","0.0004","16.477","0.0009","20.6537","0.001","100.43","0.002","97.129","0.003","105.351","0.003","3214.8","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Tetrakisvinylpyridine bisisothiocyanato nickel(II) anthracene","","- C67 H56 N12 Ni2 S4 -","- C67 H56 N12 Ni2 S4 -","- C134 H112 N24 Ni4 S8 -","2","1","","Wicht, Merrill M.; Su, Hong; Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Werner clathrate formation with polyaromatic hydrocarbons: comparison of different crystallisation methods","CrystEngComm","2016","18","14","2509","","10.1039/C5CE02185E","","","0.71073","MoKα","","0.1188","0.0666","","","0.1707","0.1974","","","","","","1.031","","","","has coordinates,has disorder","181625","2020-10-21","18:00:00",""
"7224520","10.9587","0.0007","12.1349","0.0008","19.7621","0.0012","93.907","0.001","91.426","0.001","97.878","0.001","2595.6","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","Tetrakisvinylpyridine bisisothiocyanato nickel(II) pyrene.methanol","","- C125 H100 N12 Ni2 O S4 -","- C125 H100 N12 Ni2 O S4 -","- C125 H100 N12 Ni2 O S4 -","1","0.5","","Wicht, Merrill M.; Su, Hong; Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Werner clathrate formation with polyaromatic hydrocarbons: comparison of different crystallisation methods","CrystEngComm","2016","18","14","2509","","10.1039/C5CE02185E","","","0.71073","MoKα","","0.0461","0.0365","","","0.1056","0.1138","","","","","","1.027","","","","has coordinates,has disorder","181625","2020-10-21","18:00:00",""
"7224527","27.9705","0.0015","27.9705","0.0015","27.9705","0.0015","90","","90","","90","","21883","2","296","2","296","2","","","","","","","","6","F 41 3 2","F 4d 2 3","210","","","","- C42 H42 Cl3 N3 O18 Tb2 -","- C42 H42 Cl3 N3 O18 Tb2 -","- C672 H672 Cl48 N48 O288 Tb32 -","16","0.166667","","Wang, Kai-Min; Du, Lin; Ma, Yu-Lu; Zhao, Jing-Song; Wang, Quan; Yan, Tong; Zhao, Qi-Hua","Multifunctional chemical sensors and luminescent thermometers based on lanthanide metal‒organic framework materials","CrystEngComm","2016","18","15","2690","","10.1039/C5CE02367J","","","0.71073","MoKα","","0.0578","0.0517","","","0.1575","0.1616","","","","","","1.01","","","","has coordinates,has disorder","182638","2020-10-21","18:00:00",""
"7224528","28.0835","0.0018","28.0835","0.0018","28.0835","0.0018","90","","90","","90","","22149","2","296","2","296","2","","","","","","","","6","F 41 3 2","F 4d 2 3","210","","","","- C42 H45 Cl3 N3 O18 Sm2 -","- C42 H39 Cl3 N3 O18 Sm2 -","- C672 H624 Cl48 N48 O288 Sm32 -","16","0.166667","","Wang, Kai-Min; Du, Lin; Ma, Yu-Lu; Zhao, Jing-Song; Wang, Quan; Yan, Tong; Zhao, Qi-Hua","Multifunctional chemical sensors and luminescent thermometers based on lanthanide metal‒organic framework materials","CrystEngComm","2016","18","15","2690","","10.1039/C5CE02367J","","","0.71073","MoKα","","0.0647","0.0587","","","0.1858","0.1899","","","","","","1.143","","","","has coordinates,has disorder","182638","2020-10-21","18:00:00",""
"7224529","27.8574","0.0012","27.8574","0.0012","27.8574","0.0012","90","","90","","90","","21618.3","1.6","296","2","296","2","","","","","","","","6","F 41 3 2","F 4d 2 3","210","","","","- C7 H7 Cl0.5 Er0.33 N0.5 O3 -","- C7 H7 Cl0.5 Er0.333333 N0.5 O3 -","- C672 H672 Cl48 Er32 N48 O288 -","96","1","","Wang, Kai-Min; Du, Lin; Ma, Yu-Lu; Zhao, Jing-Song; Wang, Quan; Yan, Tong; Zhao, Qi-Hua","Multifunctional chemical sensors and luminescent thermometers based on lanthanide metal‒organic framework materials","CrystEngComm","2016","18","15","2690","","10.1039/C5CE02367J","","","0.71073","MoKα","","0.0479","0.042","","","0.1253","0.1277","","","","","","1.169","","","","has coordinates,has disorder","182638","2020-10-21","18:00:00",""
"7224530","27.9996","0.0006","27.9996","0.0006","27.9996","0.0006","90","","90","","90","","21951.1","0.8","296","2","296","2","","","","","","","","6","F 41 3 2","F 4d 2 3","210","","","","- C42 H42 Cl3 Gd2 N3 O18 -","- C42 H42 Cl3 Gd2 N3 O18 -","- C672 H672 Cl48 Gd32 N48 O288 -","16","0.166667","","Wang, Kai-Min; Du, Lin; Ma, Yu-Lu; Zhao, Jing-Song; Wang, Quan; Yan, Tong; Zhao, Qi-Hua","Multifunctional chemical sensors and luminescent thermometers based on lanthanide metal‒organic framework materials","CrystEngComm","2016","18","15","2690","","10.1039/C5CE02367J","","","0.71073","MoKα","","0.0577","0.0492","","","0.1354","0.1395","","","","","","1.178","","","","has coordinates,has disorder","182638","2020-10-21","18:00:00",""
"7224531","27.849","0.002","27.849","0.002","27.849","0.002","90","","90","","90","","21599","3","296","2","296","2","","","","","","","","6","F 41 3 2","F 4d 2 3","210","","","","- C7 H7.67 Cl0.5 N0.5 O3.33 Yb0.33 -","- C7 H7.6666 Cl N0.5 O3.3333 Yb0.333333 -","- C672 H735.994 Cl96 N48 O319.997 Yb32 -","96","1","","Wang, Kai-Min; Du, Lin; Ma, Yu-Lu; Zhao, Jing-Song; Wang, Quan; Yan, Tong; Zhao, Qi-Hua","Multifunctional chemical sensors and luminescent thermometers based on lanthanide metal‒organic framework materials","CrystEngComm","2016","18","15","2690","","10.1039/C5CE02367J","","","0.71073","MoKα","","0.0633","0.0579","","","0.1869","0.1928","","","","","","1.103","","","","has coordinates,has disorder","182638","2020-10-21","18:00:00",""
"7224532","12.7068","0.0018","13.1565","0.0016","17.082","0.003","73.022","0.004","83.299","0.005","63.09","0.004","2435.1","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H76 Co8 N14 O76 Si2 W18 -","- C14 H42 Co8 N14 O76 Si2 W18 -","- C14 H42 Co8 N14 O76 Si2 W18 -","1","0.5","","Zhu, Yu; Fang, Wei-Hui; Wei, Qi; Yang, Guo-Yu","Extended hybrid architectures based on tetra-CoIIsandwiched polyoxotungstates","CrystEngComm","2016","18","15","2712","","10.1039/C6CE00374E","","","0.71073","MoKα","","0.0509","0.0444","","","0.1342","0.1455","","","","","","1.077","","","","has coordinates","182639","2020-10-21","18:00:00",""
"7224533","12.0203","0.0002","14.7565","0.0004","16.2297","0.0004","95.69","0.002","109.65","0.002","92.242","0.002","2689.7","0.11","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H108 Co10 N20 O72 Si2 W18 -","- C30 H100 Co10 N20 O72 Si2 W18 -","- C30 H100 Co10 N20 O72 Si2 W18 -","1","0.5","","Zhu, Yu; Fang, Wei-Hui; Wei, Qi; Yang, Guo-Yu","Extended hybrid architectures based on tetra-CoIIsandwiched polyoxotungstates","CrystEngComm","2016","18","15","2712","","10.1039/C6CE00374E","","","0.71073","MoKα","","0.0365","0.0297","","","0.0714","0.0756","","","","","","1.048","","","","has coordinates","182639","2020-10-21","18:00:00",""
"7224534","11.9641","0.0003","12.0257","0.0004","16.0944","0.0005","102.457","0.003","96.489","0.003","113.464","0.003","2022.34","0.13","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C10 H80 Co6 N10 O84 Si2 W18 -","- C10 H38 Co6 N10 O84 Si2 W18 -","- C10 H38 Co6 N10 O84 Si2 W18 -","1","0.5","","Zhu, Yu; Fang, Wei-Hui; Wei, Qi; Yang, Guo-Yu","Extended hybrid architectures based on tetra-CoIIsandwiched polyoxotungstates","CrystEngComm","2016","18","15","2712","","10.1039/C6CE00374E","","","0.71073","MoKα","","0.0513","0.0454","","","0.0955","0.0998","","","","","","1.029","","","","has coordinates","182639","2020-10-21","18:00:00",""
"7224535","7.4761","0.0005","18.313","0.0014","25.1258","0.0018","90","","93.708","0.002","90","","3432.8","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H27 N5 O6 S Zn -","- C38 H27 N5 O6 S Zn -","- C152 H108 N20 O24 S4 Zn4 -","4","1","","Guo, Xianmin; Yan, Yongnian; Guo, Huadong; Qi, Yanjuan; Liu, Chunming","Seven entangled coordination polymers assembled from triphenylamine-based bisimidazole and dicarboxylates: interpenetration, self-penetration and mixed entanglement","CrystEngComm","2016","18","14","2546","","10.1039/C6CE00102E","","","0.71073","MoKα","","0.1323","0.0521","","","0.1112","0.1518","","","","","","0.989","","","","has coordinates","181619","2020-10-21","18:00:00",""
"7224536","12.2467","0.0019","19.625","0.003","13.998","0.002","90","","97.063","0.004","90","","3338.8","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H25 N5 O4 Zn -","- C36 H25 N5 O4 Zn -","- C144 H100 N20 O16 Zn4 -","4","1","","Guo, Xianmin; Yan, Yongnian; Guo, Huadong; Qi, Yanjuan; Liu, Chunming","Seven entangled coordination polymers assembled from triphenylamine-based bisimidazole and dicarboxylates: interpenetration, self-penetration and mixed entanglement","CrystEngComm","2016","18","14","2546","","10.1039/C6CE00102E","","","0.71073","MoKα","","0.1544","0.0687","","","0.1879","0.2451","","","","","","0.987","","","","has coordinates","181619","2020-10-21","18:00:00",""
"7224537","10.015","0.007","11.864","0.009","12.319","0.009","98.31","0.014","99.091","0.014","91.291","0.014","1428.6","1.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H46 N10 O8 Zn2 -","- C64 H46 N10 O8 Zn2 -","- C64 H46 N10 O8 Zn2 -","1","0.5","","Guo, Xianmin; Yan, Yongnian; Guo, Huadong; Qi, Yanjuan; Liu, Chunming","Seven entangled coordination polymers assembled from triphenylamine-based bisimidazole and dicarboxylates: interpenetration, self-penetration and mixed entanglement","CrystEngComm","2016","18","14","2546","","10.1039/C6CE00102E","","","0.71073","MoKα","","0.0606","0.0383","","","0.0976","0.1168","","","","","","1.106","","","","has coordinates","181619","2020-10-21","18:00:00",""
"7224538","12.4152","0.0009","9.8806","0.0007","27.299","0.002","90","","97.276","0.002","90","","3321.8","0.4","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C80 H58 N10 O8 Zn2 -","- C80 H58 N10 O8 Zn2 -","- C160 H116 N20 O16 Zn4 -","2","0.5","","Guo, Xianmin; Yan, Yongnian; Guo, Huadong; Qi, Yanjuan; Liu, Chunming","Seven entangled coordination polymers assembled from triphenylamine-based bisimidazole and dicarboxylates: interpenetration, self-penetration and mixed entanglement","CrystEngComm","2016","18","14","2546","","10.1039/C6CE00102E","","","0.71073","MoKα","","0.1373","0.0545","","","0.1286","0.1844","","","","","","1.035","","","","has coordinates","181619","2020-10-21","18:00:00",""
"7224539","16.8782","0.0007","21.3492","0.0009","20.0506","0.0011","90","","112.197","0.001","90","","6689.5","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H29 Cd N5 O6 -","- C38 H27 Cd N5 O6 -","- C304 H216 Cd8 N40 O48 -","8","1","","Guo, Xianmin; Yan, Yongnian; Guo, Huadong; Qi, Yanjuan; Liu, Chunming","Seven entangled coordination polymers assembled from triphenylamine-based bisimidazole and dicarboxylates: interpenetration, self-penetration and mixed entanglement","CrystEngComm","2016","18","14","2546","","10.1039/C6CE00102E","","","0.71073","MoKα","","0.057","0.0325","","","0.0862","0.1157","","","","","","1.119","","","","has coordinates","181619","2020-10-21","18:00:00",""
"7224540","9.7159","0.0019","11.154","0.002","16.493","0.003","72.729","0.003","78.866","0.004","85.786","0.004","1674.4","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H54 Cd2 N10 O8 -","- C76 H50 Cd2 N10 O8 -","- C76 H50 Cd2 N10 O8 -","1","0.5","","Guo, Xianmin; Yan, Yongnian; Guo, Huadong; Qi, Yanjuan; Liu, Chunming","Seven entangled coordination polymers assembled from triphenylamine-based bisimidazole and dicarboxylates: interpenetration, self-penetration and mixed entanglement","CrystEngComm","2016","18","14","2546","","10.1039/C6CE00102E","","","0.71073","MoKα","","0.0734","0.0459","","","0.124","0.1509","","","","","","1.08","","","","has coordinates,has disorder","181619","2020-10-21","18:00:00",""
"7224541","9.8926","0.0016","13.378","0.002","19.747","0.003","97.526","0.003","100.724","0.003","97.005","0.003","2516.7","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H76 Cd3 N12 O14 -","- C90 H62 Cd3 N10 O12 -","- C90 H62 Cd3 N10 O12 -","1","0.5","","Guo, Xianmin; Yan, Yongnian; Guo, Huadong; Qi, Yanjuan; Liu, Chunming","Seven entangled coordination polymers assembled from triphenylamine-based bisimidazole and dicarboxylates: interpenetration, self-penetration and mixed entanglement","CrystEngComm","2016","18","14","2546","","10.1039/C6CE00102E","","","0.71073","MoKα","","0.0857","0.0609","","","0.1801","0.1905","","","","","","1.025","","","","has coordinates,has disorder","181619","2020-10-21","18:00:00",""
"7224542","18.2405","0.0016","35.036","0.002","22.8447","0.0014","90","","101.071","0.008","90","","14327.8","1.8","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C56 H80 N8 Na4 O116 P2 W18 Yb2 -","- C56 H64 N8 Na4 O116 P2 W18 Yb2 -","- C224 H256 N32 Na16 O464 P8 W72 Yb8 -","4","0.5","","Reddy, Pulikanti Guruprasad; Mamidi, Narsimha; Pradeep, Chullikkattil P.","An organic–inorganic hybrid supramolecular framework material based on a [P2W18O62]6−cluster and Yb & Na complexes of pyridine-2,6-dicarboxylic acid: a catalyst for selective oxidation of sulfides in water with H2O2","CrystEngComm","2016","18","23","4272","","10.1039/C5CE02546J","","","0.71073","MoKα","","0.1233","0.0849","","","0.2288","0.2872","","","","","","1.048","","","","has coordinates","290444","2024-03-12","09:55:30",""
"7224547","17.342","0.0003","15.8773","0.0002","18.855","0.0003","90","","90","","90","","5191.61","0.14","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H12 N6 O4 Zn -","- C18 H12 N6 O4 Zn -","- C144 H96 N48 O32 Zn8 -","8","1","","Chen, Di-Ming; Tian, Jia-Yue; Fang, Shao-Ming; Liu, Chun-Sen","Two isomeric Zn(ii)-based metal‒organic frameworks constructed from a bifunctional triazolate‒carboxylate tecton exhibiting distinct gas sorption behaviors","CrystEngComm","2016","18","14","2579","","10.1039/C6CE00126B","","x-ray","1.54184","CuKα","","0.0535","0.0477","","","0.1822","0.1884","","","","","","1.122","","","","has coordinates","181614","2020-10-21","18:00:00",""
"7224548","14.6252","0.0007","16.5703","0.0007","10.4179","0.0005","90","","90","","90","","2524.7","0.2","273","2","273.15","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C18 H12 N6 O4 Zn -","- C18 H12 N6 O4 Zn -","- C72 H48 N24 O16 Zn4 -","4","2","","Chen, Di-Ming; Tian, Jia-Yue; Fang, Shao-Ming; Liu, Chun-Sen","Two isomeric Zn(ii)-based metal‒organic frameworks constructed from a bifunctional triazolate‒carboxylate tecton exhibiting distinct gas sorption behaviors","CrystEngComm","2016","18","14","2579","","10.1039/C6CE00126B","","x-ray","0.71073","MoKα","","0.0737","0.0691","","","0.2073","0.2112","","","","","","1.117","","","","has coordinates","181614","2020-10-21","18:00:00",""
"7224550","24.9004","0.0016","7.9696","0.0006","27.613","0.002","90","","90","","90","","5479.7","0.7","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C54 H54 Co N12 O12 -","- C54 H52 Co N12 O12 -","- C216 H208 Co4 N48 O48 -","4","0.5","","Huang, Tao; Wang, Yu-Ling; Yin, Qi; Karadeniz, Bahar; Li, Hong-Fang; Lü, Jian; Cao, Rong","Cobalt coordination polymers regulated by in situ ligand transformation","CrystEngComm","2016","18","15","2742","","10.1039/C6CE00104A","","","0.71073","MoKα","","0.1167","0.0804","","","0.2067","0.2357","","","","","","1.064","","","","has coordinates","182646","2020-10-21","18:00:00",""
"7224551","11.6287","0.0003","8.0502","0.0002","23.5159","0.0006","90","","103.876","0.003","90","","2137.16","0.1","185","0.1","185","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H32 Co N10 O8 -","- C48 H32 Co N10 O8 -","- C96 H64 Co2 N20 O16 -","2","0.5","","Huang, Tao; Wang, Yu-Ling; Yin, Qi; Karadeniz, Bahar; Li, Hong-Fang; Lü, Jian; Cao, Rong","Cobalt coordination polymers regulated by in situ ligand transformation","CrystEngComm","2016","18","15","2742","","10.1039/C6CE00104A","","x-ray","1.54184","CuKα","","0.0496","0.0442","","","0.1167","0.1215","","","","","","1.037","","","","has coordinates","182646","2020-10-21","18:00:00",""
"7224552","6.702","0.0003","11.4636","0.0004","17.2245","0.0006","106.65","0.003","91.064","0.004","98.714","0.004","1250.54","0.09","185","0.1","185","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C56 H34 Co3 N10 O12 -","- C56 H34 Co3 N10 O12 -","- C56 H34 Co3 N10 O12 -","1","0.5","","Huang, Tao; Wang, Yu-Ling; Yin, Qi; Karadeniz, Bahar; Li, Hong-Fang; Lü, Jian; Cao, Rong","Cobalt coordination polymers regulated by in situ ligand transformation","CrystEngComm","2016","18","15","2742","","10.1039/C6CE00104A","","x-ray","1.54184","CuKα","","0.0389","0.0351","","","0.0886","0.0909","","","","","","1.05","","","","has coordinates","182646","2020-10-21","18:00:00",""
"7224553","11.844","0.005","18.268","0.008","16.34","0.007","90","","103.291","0.005","90","","3441","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H39 Cl4 Fe N2 -","- C34 H39 Cl4 Fe N2 -","- C136 H156 Cl16 Fe4 N8 -","4","1","","Yu, Hai-Bin; Li, Hai-Tao; Zhang, Peng; Famulari, Antonino; Guo, Fang; Bargigia, Ilaria; Martí-Rujas, Javier","Exploiting polymorphism in second sphere coordination: thermal transformation, NLO properties and selective mechanochemical synthesis","CrystEngComm","2016","18","14","2408","","10.1039/C6CE00366D","","","0.71073","MoKα","","0.1665","0.1078","","","0.3086","0.3658","","","","","","0.948","","","","has coordinates","181621","2020-10-21","18:00:00",""
"7224554","19.428","0.003","14.4576","0.0015","11.916","0.0016","90","","90","","90","","3347","0.8","200","2","200","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C34 H39 Cl4 Fe N2 -","- C34 H38 Cl4 Fe N2 -","- C136 H152 Cl16 Fe4 N8 -","4","1","","Yu, Hai-Bin; Li, Hai-Tao; Zhang, Peng; Famulari, Antonino; Guo, Fang; Bargigia, Ilaria; Martí-Rujas, Javier","Exploiting polymorphism in second sphere coordination: thermal transformation, NLO properties and selective mechanochemical synthesis","CrystEngComm","2016","18","14","2408","","10.1039/C6CE00366D","","","1.54178","CuKα","","0.2161","0.1086","","","0.293","0.3592","","","","","","1.08","","","","has coordinates","181621","2020-10-21","18:00:00",""
"7224555","17.33","0.03","11.523","0.017","14.65","0.02","90","","106.739","0.017","90","","2802","7","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C34 H38 N2 -","- C34 H38 N2 -","- C136 H152 N8 -","4","0.5","","Yu, Hai-Bin; Li, Hai-Tao; Zhang, Peng; Famulari, Antonino; Guo, Fang; Bargigia, Ilaria; Martí-Rujas, Javier","Exploiting polymorphism in second sphere coordination: thermal transformation, NLO properties and selective mechanochemical synthesis","CrystEngComm","2016","18","14","2408","","10.1039/C6CE00366D","","","0.71073","MoKα","","0.0889","0.0539","","","0.1376","0.1607","","","","","","1","","","","has coordinates","181621","2020-10-21","18:00:00",""
"7224556","13.295","0.011","14.652","0.013","15.117","0.013","90","","103.464","0.016","90","","2864","4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H17 N4 O12 Zn2 -","- C28 H17 N4 O12 Zn2 -","- C112 H68 N16 O48 Zn8 -","4","1","","Li, Quan-Quan; Zhang, Wen-Qian; Ren, Chun-Yan; Fan, Yan-Ping; Li, Jian-Li; Liu, Ping; Wang, Yao-Yu","Reaction-determined assemblies of 0D to 3D complexes: structural diversities and luminescence properties","CrystEngComm","2016","18","19","3358","","10.1039/C6CE00273K","","","0.71073","MoKα","","0.1273","0.0681","","","0.1756","0.21","","","","","","0.879","","","","has coordinates","185297","2020-10-21","18:00:00",""
"7224557","7.9827","0.0003","14.5526","0.0005","22.379","0.0011","90","","102.608","0.005","90","","2537.06","0.19","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H12 N4 O12 Zn2 -","- C26 H12 N4 O12 Zn2 -","- C104 H48 N16 O48 Zn8 -","4","1","","Li, Quan-Quan; Zhang, Wen-Qian; Ren, Chun-Yan; Fan, Yan-Ping; Li, Jian-Li; Liu, Ping; Wang, Yao-Yu","Reaction-determined assemblies of 0D to 3D complexes: structural diversities and luminescence properties","CrystEngComm","2016","18","19","3358","","10.1039/C6CE00273K","","","0.71073","MoKα","","0.1568","0.1465","","","0.2996","0.3159","","","","","","1.137","","","","has coordinates,has disorder","185297","2020-10-21","18:00:00",""
"7224558","11.5833","0.0005","11.7884","0.0005","13.8783","0.0006","96.027","0.008","92.924","0.006","107.066","0.009","1794.92","0.17","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H22 N6 O12 Zn -","- C40 H22 N6 O12 Zn -","- C80 H44 N12 O24 Zn2 -","2","1","","Li, Quan-Quan; Zhang, Wen-Qian; Ren, Chun-Yan; Fan, Yan-Ping; Li, Jian-Li; Liu, Ping; Wang, Yao-Yu","Reaction-determined assemblies of 0D to 3D complexes: structural diversities and luminescence properties","CrystEngComm","2016","18","19","3358","","10.1039/C6CE00273K","","","0.71073","MoKα","","0.1775","0.1124","","","0.2373","0.3151","","","","","","1.069","","","","has coordinates,has disorder","185297","2020-10-21","18:00:00",""
"7224559","13.0719","0.0006","22.534","0.0011","16.8938","0.0008","90","","99.908","0.001","90","","4902.1","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H8 Cd3 N4 O27 -","- C32 H8 Cd3 N4 O27 -","- C128 H32 Cd12 N16 O108 -","4","1","","Li, Quan-Quan; Zhang, Wen-Qian; Ren, Chun-Yan; Fan, Yan-Ping; Li, Jian-Li; Liu, Ping; Wang, Yao-Yu","Reaction-determined assemblies of 0D to 3D complexes: structural diversities and luminescence properties","CrystEngComm","2016","18","19","3358","","10.1039/C6CE00273K","","","0.71073","MoKα","","0.0461","0.0369","","","0.1145","0.1204","","","","","","1.008","","","","has coordinates","185297","2020-10-21","18:00:00",""
"7224560","7.52","0.007","15.85","0.015","22.8","0.02","90","","90.031","0.017","90","","2718","4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H13 Cd2 N5 O12 -","- C26 H13 Cd2 N5 O12 -","- C104 H52 Cd8 N20 O48 -","4","1","","Li, Quan-Quan; Zhang, Wen-Qian; Ren, Chun-Yan; Fan, Yan-Ping; Li, Jian-Li; Liu, Ping; Wang, Yao-Yu","Reaction-determined assemblies of 0D to 3D complexes: structural diversities and luminescence properties","CrystEngComm","2016","18","19","3358","","10.1039/C6CE00273K","","","0.71073","MoKα","","0.0977","0.0607","","","0.1481","0.1652","","","","","","1.032","","","","has coordinates,has disorder","185297","2020-10-21","18:00:00",""
"7224561","9.8097","0.0014","11.9458","0.0017","13.1508","0.0019","99.002","0.002","93.161","0.002","110.61","0.002","1414.5","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H20 Ag2 N4 O12 -","- C29 H20 Ag2 N4 O12 -","- C58 H40 Ag4 N8 O24 -","2","1","","Li, Quan-Quan; Zhang, Wen-Qian; Ren, Chun-Yan; Fan, Yan-Ping; Li, Jian-Li; Liu, Ping; Wang, Yao-Yu","Reaction-determined assemblies of 0D to 3D complexes: structural diversities and luminescence properties","CrystEngComm","2016","18","19","3358","","10.1039/C6CE00273K","","","0.71073","MoKα","","0.0517","0.0466","","","0.1522","0.1727","","","","","","1.022","","","","has coordinates","185297","2020-10-21","18:00:00",""
"7224562","9.782","0.005","13.006","0.007","16.517","0.009","105.994","0.009","93.197","0.008","109.106","0.009","1884","1.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H24 Co2 N6 O14 -","- C40 H24 Co2 N6 O14 -","- C80 H48 Co4 N12 O28 -","2","1","","Li, Quan-Quan; Zhang, Wen-Qian; Ren, Chun-Yan; Fan, Yan-Ping; Li, Jian-Li; Liu, Ping; Wang, Yao-Yu","Reaction-determined assemblies of 0D to 3D complexes: structural diversities and luminescence properties","CrystEngComm","2016","18","19","3358","","10.1039/C6CE00273K","","","0.71073","MoKα","","0.0971","0.0691","","","0.1731","0.247","","","","","","1.016","","","","has coordinates","185297","2020-10-21","18:00:00",""
"7224563","9.7979","0.0014","12.993","0.0018","16.45","0.002","106.174","0.002","93.467","0.002","108.962","0.002","1875.7","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H24 N6 Ni2 O14 -","- C40 H24 N6 Ni2 O14 -","- C80 H48 N12 Ni4 O28 -","2","1","","Li, Quan-Quan; Zhang, Wen-Qian; Ren, Chun-Yan; Fan, Yan-Ping; Li, Jian-Li; Liu, Ping; Wang, Yao-Yu","Reaction-determined assemblies of 0D to 3D complexes: structural diversities and luminescence properties","CrystEngComm","2016","18","19","3358","","10.1039/C6CE00273K","","","0.71073","MoKα","","0.0942","0.0622","","","0.1482","0.227","","","","","","1.006","","","","has coordinates","185297","2020-10-21","18:00:00",""
"7224564","10.059","0.002","11.605","0.003","16.86","0.004","77.458","0.004","79.847","0.004","79.381","0.004","1869.1","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H22 Co N6 O14 -","- C40 H22 Co N6 O14 -","- C80 H44 Co2 N12 O28 -","2","1","","Li, Quan-Quan; Zhang, Wen-Qian; Ren, Chun-Yan; Fan, Yan-Ping; Li, Jian-Li; Liu, Ping; Wang, Yao-Yu","Reaction-determined assemblies of 0D to 3D complexes: structural diversities and luminescence properties","CrystEngComm","2016","18","19","3358","","10.1039/C6CE00273K","","","0.71073","MoKα","","0.1228","0.0786","","","0.2095","0.3123","","","","","","0.97","","","","has coordinates","185297","2020-10-21","18:00:00",""
"7224565","13.23","0.002","14.587","0.003","15.124","0.003","90","","98.618","0.003","90","","2885.8","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H14 N4 O12 Zn2 -","- C28 H14 N4 O12 Zn2 -","- C112 H56 N16 O48 Zn8 -","4","1","","Li, Quan-Quan; Zhang, Wen-Qian; Ren, Chun-Yan; Fan, Yan-Ping; Li, Jian-Li; Liu, Ping; Wang, Yao-Yu","Reaction-determined assemblies of 0D to 3D complexes: structural diversities and luminescence properties","CrystEngComm","2016","18","19","3358","","10.1039/C6CE00273K","","","0.71073","MoKα","","0.0954","0.0826","","","0.2185","0.2311","","","","","","1.054","","","","has coordinates,has disorder","185297","2020-10-21","18:00:00",""
"7224572","4.7283","0.0004","5.7208","0.0004","5.0331","0.0005","90","","90","","90","","136.14","0.02","293","","293","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- Nb2.667 O8 Zn1.333 -","- Nb2.6668 O8 Zn1.3332 -","- Nb2.6668 O8 Zn1.3332 -","1","0.125","","Zhao, Dan; Ma, Fa-Xue; Zhang, Rui-Juan; Li, Fei-Fei; Zhang, Lei; Yang, Juan; Fan, Yun-Chang; Xin, Xia","Structure modulation, band structure, density of states and luminescent properties of columbite-type ZnNb2O6","CrystEngComm","2016","18","16","2929","","10.1039/C5CE01828E","","x-ray","0.71073","MoKα","","0.0188","0.0151","","","0.0136","0.015","","","","1.18","1.18","1.17","","","","has coordinates","182652","2020-10-21","18:00:00",""
"7224573","8.044","0.002","9.357","0.002","9.822","0.002","111.23","0.002","107.301","0.002","104.268","0.002","603.6","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H34 Cu N4 O20 S4 -","- C6 H34 Cu N4 O20 S4 -","- C6 H34 Cu N4 O20 S4 -","1","0.5","","Chen, Chun-Hong; Mu, Rong; Zhang, Li; Xu, Guan-Cheng","Synthesis, crystal structure and disorder‒order phase transition of a new diamine templated metal sulfate, (C3H12N2)2[Cu(H2O)4(SO4)2](HSO4)2","CrystEngComm","2016","18","15","2719","","10.1039/C5CE02442K","","","0.71073","MoKα","","0.0324","0.0321","","","0.0901","0.0904","","","","","","1.085","","","","has coordinates,has disorder","182640","2020-10-21","18:00:00",""
"7224574","10.649","0.004","10.677","0.004","10.799","0.004","94.771","0.004","100.757","0.004","95.748","0.004","1193.7","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H34 Cu N4 O20 S4 -","- C6 H34 Cu N4 O20 S4 -","- C12 H68 Cu2 N8 O40 S8 -","2","1","","Chen, Chun-Hong; Mu, Rong; Zhang, Li; Xu, Guan-Cheng","Synthesis, crystal structure and disorder‒order phase transition of a new diamine templated metal sulfate, (C3H12N2)2[Cu(H2O)4(SO4)2](HSO4)2","CrystEngComm","2016","18","15","2719","","10.1039/C5CE02442K","","","0.71073","MoKα","","0.0276","0.0261","","","0.0764","0.0786","","","","","","1.032","","","","has coordinates","182640","2020-10-21","18:00:00",""
"7224575","13.7632","0.0003","7.3472","0.0002","18.3748","0.0004","90","","107.385","0.002","90","","1773.2","0.08","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","dipropylammonium D-(+)-10-camphorsulfonate","","","- C16 H31 N O4 S -","- C16 H31 N O4 S -","- C64 H124 N4 O16 S4 -","4","2","","Zhou, Yuelan; Chen, Tianliang; Sun, Zhihua; Zhang, Shuquan; Zhao, Sangen; Ji, Chengmin; Song, Cheng; Luo, Junhua","Reversible phase transition triggered by order‒disorder transformations and distortions in dipropylammoniumd-(+)-10-camphorsulfonate","CrystEngComm","2016","18","16","2852","","10.1039/C6CE00237D","","","1.54178","CuKα","","0.0354","0.0292","","","0.0795","0.0857","","","","","","0.992","","","","has coordinates","182655","2020-10-21","18:00:00",""
"7224576","9.3694","0.0003","7.3823","0.0002","13.8573","0.0004","90","","105.537","0.003","90","","923.45","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","dipropylammonium D-(+)-10-camphorsulfonate","","","- C16 H31 N O4 S -","- C16 H31 N O4 S -","- C32 H62 N2 O8 S2 -","2","1","","Zhou, Yuelan; Chen, Tianliang; Sun, Zhihua; Zhang, Shuquan; Zhao, Sangen; Ji, Chengmin; Song, Cheng; Luo, Junhua","Reversible phase transition triggered by order‒disorder transformations and distortions in dipropylammoniumd-(+)-10-camphorsulfonate","CrystEngComm","2016","18","16","2852","","10.1039/C6CE00237D","","","0.71073","MoKα","","0.0547","0.0481","","","0.13","0.1372","","","","","","1.043","","","","has coordinates,has disorder","182655","2020-10-21","18:00:00",""
"7224582","10.2312","0.001","11.0797","0.0012","16.1049","0.001","95.135","0.007","92.045","0.006","113.333","0.01","1664.5","0.3","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H31 Mg1.5 N2 O12 -","- C33 H31 Mg1.5 N2 O12 -","- C66 H62 Mg3 N4 O24 -","2","1","","Wang, Xi; Hu, Min; Tian, Jia-Yue; Liu, Chun-Sen","Structural diversification and single-crystal-to-single-crystal transformation of alkaline earth metal-based MOFs regulated by solvent effect","CrystEngComm","2016","18","16","2864","","10.1039/C6CE00552G","","","0.71073","MoKα","","0.0744","0.0514","","","0.1158","0.1292","","","","","","1.016","","","","has coordinates","182649","2020-10-21","18:00:00",""
"7224583","11.6875","0.0012","12.7337","0.001","16.6287","0.0007","107.084","0.006","106.16","0.007","98.287","0.008","2202.3","0.3","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H33 Mg1.5 N2 O11 -","- C35 H33 Mg1.5 N2 O11 -","- C70 H66 Mg3 N4 O22 -","2","1","","Wang, Xi; Hu, Min; Tian, Jia-Yue; Liu, Chun-Sen","Structural diversification and single-crystal-to-single-crystal transformation of alkaline earth metal-based MOFs regulated by solvent effect","CrystEngComm","2016","18","16","2864","","10.1039/C6CE00552G","","","0.71073","MoKα","","0.0965","0.0671","","","0.1896","0.2108","","","","","","1.013","","","","has coordinates","182649","2020-10-21","18:00:00",""
"7224584","14.6854","0.0004","17.3507","0.0007","17.565","0.0008","71.291","0.004","75.262","0.003","66.322","0.003","3841.3","0.3","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H70 Ca2.5 N2 O21 -","- C72 H70 Ca2.5 N2 O21 -","- C144 H140 Ca5 N4 O42 -","2","1","","Wang, Xi; Hu, Min; Tian, Jia-Yue; Liu, Chun-Sen","Structural diversification and single-crystal-to-single-crystal transformation of alkaline earth metal-based MOFs regulated by solvent effect","CrystEngComm","2016","18","16","2864","","10.1039/C6CE00552G","","","0.71073","MoKα","","0.0835","0.0555","","","0.1526","0.1678","","","","","","1.028","","","","has coordinates","182649","2020-10-21","18:00:00",""
"7224585","16.1122","0.0008","19.1301","0.0006","19.9491","0.0006","113.359","0.003","103.862","0.004","91.934","0.003","5423","0.4","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H85 Ca3 N3 O23 -","- C78 H85 Ca3 N3 O23 -","- C156 H170 Ca6 N6 O46 -","2","1","","Wang, Xi; Hu, Min; Tian, Jia-Yue; Liu, Chun-Sen","Structural diversification and single-crystal-to-single-crystal transformation of alkaline earth metal-based MOFs regulated by solvent effect","CrystEngComm","2016","18","16","2864","","10.1039/C6CE00552G","","","0.71073","MoKα","","0.1331","0.0889","","","0.2663","0.3045","","","","","","1.004","","","","has coordinates,has disorder","182649","2020-10-21","18:00:00",""
"7224586","7.9089","0.0004","11.4057","0.0006","12.6968","0.0006","65.743","0.002","77.931","0.002","85.251","0.002","1021.13","0.09","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","1","","- C21 H16 N2 O6 Pb S -","- C21 H16 N2 O6 Pb S -","- C42 H32 N4 O12 Pb2 S2 -","2","1","","Ju, Huiyeong; Lee, Eunji; Kim, Seulgi; Park, In-Hyeok; Lee, Joon-Hwa; Lee, Shim Sung","Cation-directed assembly of polyrotaxane and polycatenane","CrystEngComm","2016","18","15","2621","","10.1039/C6CE00551A","","","0.71073","MoKα","","0.0175","0.0167","","","0.0407","0.041","","","","","","1.067","","","","has coordinates","182641","2020-10-21","18:00:00",""
"7224587","47.233","0.006","11.4571","0.0017","25.455","0.004","90","","119.856","0.007","90","","11947","3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2","","- C62 H62 N10 O14 S2 Zn2 -","- C62 H62 N10 O14 S2 Zn2 -","- C496 H496 N80 O112 S16 Zn16 -","8","1","","Ju, Huiyeong; Lee, Eunji; Kim, Seulgi; Park, In-Hyeok; Lee, Joon-Hwa; Lee, Shim Sung","Cation-directed assembly of polyrotaxane and polycatenane","CrystEngComm","2016","18","15","2621","","10.1039/C6CE00551A","","","0.71073","MoKα","","0.1626","0.111","","","0.2781","0.3087","","","","","","1.089","","","","has coordinates","182641","2020-10-21","18:00:00",""
"7224588","21.368","0.0011","14.5156","0.0009","18.5708","0.0009","90","","105.412","0.005","90","","5553","0.5","173","","173","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","Cp1","","","- C58 H48 Cl2 Cu2 N6 O2 P2 S2 -","- C58 H48 Cl2 Cu2 N6 O2 P2 S2 -","- C232 H192 Cl8 Cu8 N24 O8 P8 S8 -","4","0.5","","Gholivand, Khodayar; Farshadfer, Kaveh; Roe, S. Mark; Gholami, Akram; Esrafili, Mehdi D.","Structural and photophysical characterization of mono- and binuclear Cu(i) complexes based on carbohydrazones: a combined experimental and computational study","CrystEngComm","2016","18","16","2873","","10.1039/C5CE02208H","","x-ray","0.71073","MoKα","","0.075","0.055","","","0.17","0.183","","","","","","1.117","","","","has coordinates","182656","2020-10-21","18:00:00",""
"7224589","14.862","0.0003","9.93191","0.00019","18.7016","0.0004","90","","99.793","0.002","90","","2720.28","0.1","173","","173","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","CuCl 542","","- C29 H24 Cl Cu N3 O P S -","- C29 H24 Cl Cu N3 O P S -","- C116 H96 Cl4 Cu4 N12 O4 P4 S4 -","4","1","","Gholivand, Khodayar; Farshadfer, Kaveh; Roe, S. Mark; Gholami, Akram; Esrafili, Mehdi D.","Structural and photophysical characterization of mono- and binuclear Cu(i) complexes based on carbohydrazones: a combined experimental and computational study","CrystEngComm","2016","18","16","2873","","10.1039/C5CE02208H","","x-ray","1.54184","CuKα","","0.0669","0.0378","","","0.0852","0.1325","","","","","","1.142","","","","has coordinates","182656","2020-10-21","18:00:00",""
"7224590","8.6008","0.0002","11.9216","0.0004","13.5031","0.0004","98.28","0.003","90.093","0.002","94.468","0.002","1365.83","0.07","173","","173","","","","","","","","","8","P -1","-P 1","2","","CuCl 556","","- C58 H48 Cl2 Cu2 N6 O2 P2 S2 -","- C58 H48 Cl2 Cu2 N6 O2 P2 S2 -","- C58 H48 Cl2 Cu2 N6 O2 P2 S2 -","1","0.5","","Gholivand, Khodayar; Farshadfer, Kaveh; Roe, S. Mark; Gholami, Akram; Esrafili, Mehdi D.","Structural and photophysical characterization of mono- and binuclear Cu(i) complexes based on carbohydrazones: a combined experimental and computational study","CrystEngComm","2016","18","16","2873","","10.1039/C5CE02208H","","x-ray","1.54184","CuKα","","0.032","0.0279","","","0.0731","0.0758","","","","","","1.045","","","","has coordinates","182656","2020-10-21","18:00:00",""
"7224591","8.6337","0.0006","13.7145","0.001","14.4014","0.0012","70.112","0.007","83.697","0.006","71.99","0.006","1524.9","0.2","173","","173","","","","","","","","","8","P -1","-P 1","2","Cp3","","","- C62 H54 Cu2 I2 N8 O2 P2 S2 -","- C62 H54 Cu2 I2 N8 O2 P2 S2 -","- C62 H54 Cu2 I2 N8 O2 P2 S2 -","1","0.5","","Gholivand, Khodayar; Farshadfer, Kaveh; Roe, S. Mark; Gholami, Akram; Esrafili, Mehdi D.","Structural and photophysical characterization of mono- and binuclear Cu(i) complexes based on carbohydrazones: a combined experimental and computational study","CrystEngComm","2016","18","16","2873","","10.1039/C5CE02208H","","x-ray","1.54184","CuKα","","0.0517","0.0427","","","0.1074","0.114","","","","","","0.998","","","","has coordinates","182656","2020-10-21","18:00:00",""
"7224592","8.5296","0.0009","13.6245","0.0018","14.4843","0.0017","69.313","0.011","83.252","0.009","72.076","0.01","1498.2","0.3","173","","173","","","","","","","","","8","P -1","-P 1","2","Cp2","","","- C62 H54 Br2 Cu2 N8 O2 P2 S2 -","- C62 H54 Br2 Cu2 N8 O2 P2 S2 -","- C62 H54 Br2 Cu2 N8 O2 P2 S2 -","1","0.5","","Gholivand, Khodayar; Farshadfer, Kaveh; Roe, S. Mark; Gholami, Akram; Esrafili, Mehdi D.","Structural and photophysical characterization of mono- and binuclear Cu(i) complexes based on carbohydrazones: a combined experimental and computational study","CrystEngComm","2016","18","16","2873","","10.1039/C5CE02208H","","x-ray","1.54184","CuKα","","0.0994","0.0653","","","0.1665","0.1845","","","","","","1.088","","","","has coordinates","182656","2020-10-21","18:00:00",""
"7224603","10.2549","0.0012","11.3783","0.0013","16.1872","0.0018","72.094","0.003","76.795","0.003","86.411","0.003","1749.7","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H54 N4 O18 Si2 Zn3 -","- C80 H50 N4 O16.914 Si2 Zn3 -","- C80 H50 N4 O16.914 Si2 Zn3 -","1","0.5","","Gao, Chao-Ying; Wang, Dan; Li, Jian-Ping; Wang, Yuan; Yang, Weiting","Assemblies of metal‒organic frameworks based on a tetrapodal linker for luminescence sensing of tetrahydrofuran","CrystEngComm","2016","18","16","2857","","10.1039/C6CE00169F","","","0.71073","MoKα","","0.1102","0.0656","","","0.1625","0.1907","","","","","","0.98","","","","has coordinates","182648","2020-10-21","18:00:00",""
"7224604","16.1582","0.0011","15.99","0.001","16.2334","0.001","90","","90.681","0.002","90","","4193.9","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H23 N3 Ni2 O15 Si -","- C37 H23 N3 Ni2 O15.296 Si -","- C148 H92 N12 Ni8 O61.184 Si4 -","4","1","","Gao, Chao-Ying; Wang, Dan; Li, Jian-Ping; Wang, Yuan; Yang, Weiting","Assemblies of metal‒organic frameworks based on a tetrapodal linker for luminescence sensing of tetrahydrofuran","CrystEngComm","2016","18","16","2857","","10.1039/C6CE00169F","","","0.71073","MoKα","","0.0679","0.0524","","","0.1604","0.175","","","","","","0.955","","","","has coordinates","182648","2020-10-21","18:00:00",""
"7224605","10.4707","0.0009","24.487","0.002","17.3547","0.0016","90","","91.331","0.002","90","","4448.5","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H23 Co2 N O13 Si -","- C31 H23 Co2 N O13 Si -","- C124 H92 Co8 N4 O52 Si4 -","4","1","","Gao, Chao-Ying; Wang, Dan; Li, Jian-Ping; Wang, Yuan; Yang, Weiting","Assemblies of metal‒organic frameworks based on a tetrapodal linker for luminescence sensing of tetrahydrofuran","CrystEngComm","2016","18","16","2857","","10.1039/C6CE00169F","","","0.71073","MoKα","","0.0745","0.0501","","","0.1282","0.1376","","","","","","0.96","","","","has coordinates","182648","2020-10-21","18:00:00",""
"7224606","12.2029","0.0013","13.6985","0.0016","14.853","0.0017","104.571","0.002","107.562","0.002","102.41","0.002","2174.2","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H24 Co2 N3 O11.5 Si -","- C43 H24 Co2 N3 O11.5 Si -","- C86 H48 Co4 N6 O23 Si2 -","2","1","","Gao, Chao-Ying; Wang, Dan; Li, Jian-Ping; Wang, Yuan; Yang, Weiting","Assemblies of metal‒organic frameworks based on a tetrapodal linker for luminescence sensing of tetrahydrofuran","CrystEngComm","2016","18","16","2857","","10.1039/C6CE00169F","","","0.71073","MoKα","","0.1022","0.0736","","","0.228","0.255","","","","","","1.055","","","","has coordinates","182648","2020-10-21","18:00:00",""
"7224607","16.5492","0.0019","14.8523","0.0015","17.7313","0.0018","90","","112.758","0.002","90","","4018.9","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H27 N3 O10 Si Zn2 -","- C36 H27 N3 O10 Si Zn2 -","- C144 H108 N12 O40 Si4 Zn8 -","4","1","","Gao, Chao-Ying; Wang, Dan; Li, Jian-Ping; Wang, Yuan; Yang, Weiting","Assemblies of metal‒organic frameworks based on a tetrapodal linker for luminescence sensing of tetrahydrofuran","CrystEngComm","2016","18","16","2857","","10.1039/C6CE00169F","","","0.71073","MoKα","","0.0866","0.064","","","0.2043","0.2227","","","","","","0.96","","","","has coordinates","182648","2020-10-21","18:00:00",""
"7224608","28.9402","0.0009","4.8707","0.0002","17.3118","0.0006","90","","107.785","0.002","90","","2323.63","0.15","105","","105","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H32 N2 O4 -","- C26 H32 N2 O4 -","- C104 H128 N8 O16 -","4","0.5","","Fu, Chaoying; Bélanger-Gariépy, Francine; Perepichka, Dmitrii F.","Supramolecular ordering of difuryldiketopyrrolopyrrole: the effect of alkyl chains and inter-ring twisting","CrystEngComm","2016","18","23","4285","","10.1039/C6CE00383D","","x-ray","1.34139","GaKα","","0.0568","0.0528","","","0.1502","0.1521","","","","","","1.213","","","","has coordinates","185276","2020-10-21","18:00:00",""
"7224609","18.8248","0.001","4.6921","0.0003","21.4035","0.0011","90","","100.903","0.003","90","","1856.4","0.18","105","","105","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H64 N2 O4 -","- C42 H64 N2 O4 -","- C84 H128 N4 O8 -","2","0.5","","Fu, Chaoying; Bélanger-Gariépy, Francine; Perepichka, Dmitrii F.","Supramolecular ordering of difuryldiketopyrrolopyrrole: the effect of alkyl chains and inter-ring twisting","CrystEngComm","2016","18","23","4285","","10.1039/C6CE00383D","","x-ray","1.34139","GaKα","","0.068","0.0446","","","0.11","0.1234","","","","","","1.013","","","","has coordinates","185276","2020-10-21","18:00:00",""
"7224610","10.5851","0.0004","10.7883","0.0005","12.8727","0.0008","73.878","0.002","67.677","0.002","81.16","0.002","1304.43","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Poly[bis(mu4-2-diaminobenzene-1,4-dicarboxylato-kO:kO':kO'':kO''')(mu-2-diaminobenzene-1,4-dicarboxylato-k2O,O':k2O'',O''')tetra(dimethylformamide)didysprosium(III)]","","- C36 H46 Dy2 N10 O16 -","- C36 H46 Dy2 N10 O16 -","- C36 H46 Dy2 N10 O16 -","1","0.5","","Oyarzabal, Itziar; Fernández, Belén; Cepeda, Javier; Gómez-Ruiz, Santiago; Calahorro, Antonio J.; Seco, José M.; Rodríguez-Diéguez, Antonio","Slow relaxation of magnetization in 3D-MOFs based on dysprosium dinuclear entities bridged by dicarboxylic linkers","CrystEngComm","2016","18","17","3055","","10.1039/C6CE00318D","","","0.71073","MoKα","","0.0278","0.0234","","","0.0549","0.0559","","","","","","1.088","","","","has coordinates","182659","2020-10-21","18:00:00",""
"7224611","10.7673","0.0009","11.0209","0.001","13.0918","0.0011","105.064","0.002","94.854","0.003","93.847","0.003","1488.4","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Poly[(mu-9,10-anthracenedicarboxylato-k2O,O':k2O'',O''')(mu4-9,10-anthracenedicarboxylato-kO:kO':kO'':kO''')(mu4-2-diaminobenzene-1,4-dicarboxylato-kO:kO':kO'':kO''')tetra(dimethylformamide)didysprosium(III)]","","- C52 H48 Dy2 N5 O16 -","- C52 H48 Dy2 N5 O16 -","- C52 H48 Dy2 N5 O16 -","1","0.5","","Oyarzabal, Itziar; Fernández, Belén; Cepeda, Javier; Gómez-Ruiz, Santiago; Calahorro, Antonio J.; Seco, José M.; Rodríguez-Diéguez, Antonio","Slow relaxation of magnetization in 3D-MOFs based on dysprosium dinuclear entities bridged by dicarboxylic linkers","CrystEngComm","2016","18","17","3055","","10.1039/C6CE00318D","","","0.71073","MoKα","","0.0783","0.0519","","","0.1016","0.1082","","","","","","1.021","","","","has coordinates","182659","2020-10-21","18:00:00",""
"7224612","24.5907","0.0008","17.8811","0.0008","25.0765","0.0009","90","","104.335","0.002","90","","10683","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[(mu4-5-cyanide-1,3-dicarboxylato-kO:kO':kO'':kO''')bis(mu3-5-cyanide-1,3-dicarboxylato-kO:kO':k2O'',O''')tetra(dimethylformamide)didysprosium(III)]","","- C39 H37 Dy2 N7 O16 -","- C39 H37 Dy2 N7 O16 -","- C312 H296 Dy16 N56 O128 -","8","1","","Oyarzabal, Itziar; Fernández, Belén; Cepeda, Javier; Gómez-Ruiz, Santiago; Calahorro, Antonio J.; Seco, José M.; Rodríguez-Diéguez, Antonio","Slow relaxation of magnetization in 3D-MOFs based on dysprosium dinuclear entities bridged by dicarboxylic linkers","CrystEngComm","2016","18","17","3055","","10.1039/C6CE00318D","","","0.71073","MoKα","","0.0328","0.0251","","","0.0591","0.0614","","","","","","1.053","","","","has coordinates","182659","2020-10-21","18:00:00",""
"7224613","27.5538","0.0005","27.5538","0.0005","22.0582","0.0005","90","","90","","120","","14503.2","0.5","296","2","296","2","","","","","","","","8","P 63","P 6c","173","","","","- C36 H176 N9 Na9 O223 Se6 Sn6 W54 -","- C36 N9 Na3 O222 Se6 Sn6 W54 -","- C72 N18 Na6 O444 Se12 Sn12 W108 -","2","0.333333","","Chen, Wei-Chao; Qin, Chao; Wang, Xin-Long; Wu, Cai-Xia; Li, Yang-Guang; Zang, Hong-Ying; Shao, Kui-Zhan; Su, Zhong-Min; Wang, En-Bo","Trimeric hexa-dimethyltin-functionalized selenotungstate [{Sn(CH3)2(CH3COO)}3{Sn(CH3)2}3{Se2W18O62(OH)(H2O)}3]18−","CrystEngComm","2016","18","16","2820","","10.1039/C6CE00377J","","","0.71073","MoKα","","0.0426","0.0365","","","0.0877","0.0904","","","","","","1.016","","","","has coordinates","182651","2020-10-21","18:00:00",""
"7224614","7.7346","0.0007","14.8899","0.0013","23.801","0.002","90","","94.674","0.009","90","","2732","0.4","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis[1,4,8,9-tetraaza-triphenylene]-di[isothiocyanato]iron(II)","","- C30 H16 Fe N10 S2 -","- C30 H16 Fe N10 S2 -","- C120 H64 Fe4 N40 S8 -","4","0.5","","Kulmaczewski, Rafal; Halcrow, Malcolm A.","Structures and spin states of crystalline [Fe(NCS)2L2] and [FeL3]2+complexes (L = an annelated 1,10-phenanthroline derivative)","CrystEngComm","2016","18","14","2570","","10.1039/C6CE00163G","","","0.71073","MoKα","","0.085","0.0531","","","0.0963","0.1089","","","","","","1.054","","","","has coordinates,has disorder","181618","2020-10-21","18:00:00",""
"7224615","7.7581","0.0014","15.139","0.003","23.695","0.006","90","","93.796","0.018","90","","2776.9","1","290","2","290","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis[1,4,8,9-tetraaza-triphenylene]-di[isothiocyanato]iron(II)","","- C30 H16 Fe N10 S2 -","- C30 H16 Fe N10 S2 -","- C120 H64 Fe4 N40 S8 -","4","0.5","","Kulmaczewski, Rafal; Halcrow, Malcolm A.","Structures and spin states of crystalline [Fe(NCS)2L2] and [FeL3]2+complexes (L = an annelated 1,10-phenanthroline derivative)","CrystEngComm","2016","18","14","2570","","10.1039/C6CE00163G","","","0.71073","MoKα","","0.1048","0.0611","","","0.106","0.1217","","","","","","1.044","","","","has coordinates,has disorder","181618","2020-10-21","18:00:00",""
"7224616","7.9867","0.0004","14.6323","0.0006","28.1005","0.0015","90","","93.36","0.005","90","","3278.3","0.3","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis[iso-thiocyanato][dipyrido[3,2-a:23-c]phenazine]-iron(II)","","- C38 H20 Fe N10 S2 -","- C38 H20 Fe N10 S2 -","- C152 H80 Fe4 N40 S8 -","4","0.5","","Kulmaczewski, Rafal; Halcrow, Malcolm A.","Structures and spin states of crystalline [Fe(NCS)2L2] and [FeL3]2+complexes (L = an annelated 1,10-phenanthroline derivative)","CrystEngComm","2016","18","14","2570","","10.1039/C6CE00163G","","","1.54184","CuKα","","0.0709","0.0603","","","0.1497","0.1599","","","","","","1.066","","","","has coordinates","181618","2020-10-21","18:00:00",""
"7224617","8.0689","0.0004","14.7987","0.0006","28.0208","0.0012","90","","92.552","0.004","90","","3342.6","0.3","290","2","290","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis[iso-thiocyanato][dipyrido[3,2-a:23-c]phenazine]-iron(II)","","- C38 H20 Fe N10 S2 -","- C38 H20 Fe N10 S2 -","- C152 H80 Fe4 N40 S8 -","4","0.5","","Kulmaczewski, Rafal; Halcrow, Malcolm A.","Structures and spin states of crystalline [Fe(NCS)2L2] and [FeL3]2+complexes (L = an annelated 1,10-phenanthroline derivative)","CrystEngComm","2016","18","14","2570","","10.1039/C6CE00163G","","","1.54184","CuKα","","0.0745","0.0591","","","0.1481","0.1636","","","","","","1.04","","","","has coordinates,has disorder","181618","2020-10-21","18:00:00",""
"7224618","8.6431","0.0003","12.538","0.0005","16.8933","0.0007","100.234","0.003","97.965","0.003","101.09","0.003","1739.4","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Bis[1,4,8,9-tetraaza-triphenylene]-di[isothiocyanato]iron(II)bis-(1,2-dichloroethane) solvate","","- C34 H24 Cl4 Fe N10 S2 -","- C34 H24 Cl4 Fe N10 S2 -","- C68 H48 Cl8 Fe2 N20 S4 -","2","1","","Kulmaczewski, Rafal; Halcrow, Malcolm A.","Structures and spin states of crystalline [Fe(NCS)2L2] and [FeL3]2+complexes (L = an annelated 1,10-phenanthroline derivative)","CrystEngComm","2016","18","14","2570","","10.1039/C6CE00163G","","","1.54184","CuKα","","0.0496","0.042","","","0.1074","0.1125","","","","","","1.037","","","","has coordinates,has disorder","181618","2020-10-21","18:00:00",""
"7224619","13.329","0.0009","16.1844","0.0009","17.3536","0.0008","90","","110.324","0.007","90","","3510.5","0.4","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis[1,4,8,9-tetraaza-triphenylene]-di[isothiocyanato]iron(II)di-pyridine solvate","","- C40 H26 Fe N12 S2 -","- C40 H26 Fe N12 S2 -","- C160 H104 Fe4 N48 S8 -","4","1","","Kulmaczewski, Rafal; Halcrow, Malcolm A.","Structures and spin states of crystalline [Fe(NCS)2L2] and [FeL3]2+complexes (L = an annelated 1,10-phenanthroline derivative)","CrystEngComm","2016","18","14","2570","","10.1039/C6CE00163G","","","1.54184","CuKα","","0.0462","0.0375","","","0.0896","0.0953","","","","","","1.018","","","","has coordinates,has disorder","181618","2020-10-21","18:00:00",""
"7224620","13.526","0.0006","16.3143","0.0006","17.8163","0.0008","90","","110.291","0.005","90","","3687.5","0.3","290","2","290","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis[1,4,8,9-tetraaza-triphenylene]-di[isothiocyanato]iron(II)di-pyridine solvate","","- C40 H26 Fe N12 S2 -","- C40 H26 Fe N12 S2 -","- C160 H104 Fe4 N48 S8 -","4","1","","Kulmaczewski, Rafal; Halcrow, Malcolm A.","Structures and spin states of crystalline [Fe(NCS)2L2] and [FeL3]2+complexes (L = an annelated 1,10-phenanthroline derivative)","CrystEngComm","2016","18","14","2570","","10.1039/C6CE00163G","","","1.54184","CuKα","","0.0733","0.0464","","","0.1117","0.128","","","","","","1.01","","","","has coordinates,has disorder","181618","2020-10-21","18:00:00",""
"7224621","24.6343","0.0009","21.2193","0.0004","18.1944","0.0005","90","","104.239","0.003","90","","9218.4","0.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tris-[dipyrido[3,2-a:23-c]phenazine]iron(II) diperchlorate","","- C54 H30 Cl2 Fe N12 O8 -","- C54 H30 Cl2 Fe N12 O8 -","- C432 H240 Cl16 Fe8 N96 O64 -","8","2","","Kulmaczewski, Rafal; Halcrow, Malcolm A.","Structures and spin states of crystalline [Fe(NCS)2L2] and [FeL3]2+complexes (L = an annelated 1,10-phenanthroline derivative)","CrystEngComm","2016","18","14","2570","","10.1039/C6CE00163G","","","0.6998","synchrotron","","0.0856","0.0637","","","0.1646","0.1819","","","","","","1.024","","","","has coordinates,has disorder","181618","2020-10-21","18:00:00",""
"7224622","9.7973","0.0002","23.8139","0.0008","27.5891","0.0006","95.037","0.002","98.452","0.002","93.612","0.002","6323.5","0.3","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","Tris[dipyrido[3,2-a:23-c]benzo[i]phenazine]iron(II) di-tetrafluoroborate hydrate tris-methanol solvate","","- C69 H50 B2 F8 Fe N12 O4 -","- C67.5 H42 B2 F8 Fe N12 O2.2 -","- C270 H168 B8 F32 Fe4 N48 O8.8 -","4","2","","Kulmaczewski, Rafal; Halcrow, Malcolm A.","Structures and spin states of crystalline [Fe(NCS)2L2] and [FeL3]2+complexes (L = an annelated 1,10-phenanthroline derivative)","CrystEngComm","2016","18","14","2570","","10.1039/C6CE00163G","","","1.54184","CuKα","","0.1237","0.0851","","","0.2313","0.2698","","","","","","1.036","","","","has coordinates,has disorder","181618","2020-10-21","18:00:00",""
"7224623","13.3521","0.0004","16.1985","0.0005","17.4429","0.0004","90","","110.287","0.003","90","","3538.6","0.19","160","2","160","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis[1,4,8,9-tetraaza-triphenylene]-di[isothiocyanato]iron(II)di-pyridine solvate","","- C40 H26 Fe N12 S2 -","- C40 H26 Fe N12 S2 -","- C160 H104 Fe4 N48 S8 -","4","1","","Kulmaczewski, Rafal; Halcrow, Malcolm A.","Structures and spin states of crystalline [Fe(NCS)2L2] and [FeL3]2+complexes (L = an annelated 1,10-phenanthroline derivative)","CrystEngComm","2016","18","14","2570","","10.1039/C6CE00163G","","","1.54184","CuKα","","0.07","0.0513","","","0.129","0.1445","","","","","","1.021","","","","has coordinates,has disorder","181618","2020-10-21","18:00:00",""
"7224624","13.4396","0.0003","16.2494","0.0003","17.5932","0.0004","90","","110.306","0.002","90","","3603.32","0.14","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis[1,4,8,9-tetraaza-triphenylene]-di[isothiocyanato]iron(II)di-pyridine solvate","","- C40 H26 Fe N12 S2 -","- C40 H26 Fe N12 S2 -","- C160 H104 Fe4 N48 S8 -","4","1","","Kulmaczewski, Rafal; Halcrow, Malcolm A.","Structures and spin states of crystalline [Fe(NCS)2L2] and [FeL3]2+complexes (L = an annelated 1,10-phenanthroline derivative)","CrystEngComm","2016","18","14","2570","","10.1039/C6CE00163G","","","1.54184","CuKα","","0.07","0.0491","","","0.1222","0.1389","","","","","","1.027","","","","has coordinates,has disorder","181618","2020-10-21","18:00:00",""
"7224625","13.4781","0.0009","16.2943","0.0012","17.6998","0.0012","90","","110.31","0.008","90","","3645.5","0.5","240","2","240","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis[1,4,8,9-tetraaza-triphenylene]-di[isothiocyanato]iron(II)di-pyridine solvate","","- C40 H26 Fe N12 S2 -","- C40 H26 Fe N12 S2 -","- C160 H104 Fe4 N48 S8 -","4","1","","Kulmaczewski, Rafal; Halcrow, Malcolm A.","Structures and spin states of crystalline [Fe(NCS)2L2] and [FeL3]2+complexes (L = an annelated 1,10-phenanthroline derivative)","CrystEngComm","2016","18","14","2570","","10.1039/C6CE00163G","","","1.54184","CuKα","","0.0923","0.0589","","","0.1517","0.186","","","","","","1.031","","","","has coordinates,has disorder","181618","2020-10-21","18:00:00",""
"7224626","9.1639","0.0009","21.32","0.002","10.0007","0.001","90","","109.652","0.001","90","","1840.1","0.3","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H21.18 N2 O2.59 -","- C22 H21.178 N2 O2.589 -","- C88 H84.712 N8 O10.356 -","4","1","","Sivakumar, Reajean; Askari, Mohammad S.; Woo, Simon; Madwar, Carolin; Ottenwaelder, Xavier; Bohle, D. Scott; Cuccia, Louis A.","Homochiral crystal generation via sequential dehydration and Viedma ripening","CrystEngComm","2016","18","23","4277","","10.1039/C6CE00119J","","","0.71073","MoKα","","0.0522","0.0444","","","0.1025","0.1072","","","","","","1.083","","","","has coordinates","185280","2020-10-21","18:00:00",""
"7224627","8.2411","0.0001","14.0973","0.0002","16.1938","0.0002","90","","90","","90","","1881.35","0.04","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 N2 O2 -","- C22 H20 N2 O2 -","- C88 H80 N8 O8 -","4","1","","Sivakumar, Reajean; Askari, Mohammad S.; Woo, Simon; Madwar, Carolin; Ottenwaelder, Xavier; Bohle, D. Scott; Cuccia, Louis A.","Homochiral crystal generation via sequential dehydration and Viedma ripening","CrystEngComm","2016","18","23","4277","","10.1039/C6CE00119J","","","1.54178","CuKα","","0.03","0.0291","","","0.071","0.0718","","","","","","1.06","","","","has coordinates","185280","2020-10-21","18:00:00",""
"7224628","8.3899","0.0007","8.3899","0.0007","27.226","0.002","90","","90","","90","","1916.4","0.3","150","2","150","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C10 H10 N O2 S -","- C10 H10 N O2 S -","- C80 H80 N8 O16 S8 -","8","1","","Sivakumar, Reajean; Askari, Mohammad S.; Woo, Simon; Madwar, Carolin; Ottenwaelder, Xavier; Bohle, D. Scott; Cuccia, Louis A.","Homochiral crystal generation via sequential dehydration and Viedma ripening","CrystEngComm","2016","18","23","4277","","10.1039/C6CE00119J","","","0.71073","MoKα","","0.0286","0.0271","","","0.0719","0.0729","","","","","","1.101","","","","has coordinates","185280","2020-10-21","18:00:00",""
"7224629","12.224","0.0003","13.6903","0.0003","14.0756","0.0009","90.71","0.006","105.688","0.007","90.843","0.006","2267.23","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H68 Gd2 Na2 O67.07 S8 -","- C56 H68 Gd2 Na2 O67.072 S8 -","- C56 H68 Gd2 Na2 O67.072 S8 -","1","0.5","","Miller-Shakesby, David M.; Burke, Benjamin P.; Nigam, Shubhanchi; Stasiuk, Graeme J.; Prior, Timothy J.; Archibald, Stephen J.; Redshaw, Carl","Synthesis, structures and cytotoxicity studies of p-sulfonatocalix[4]arene lanthanide complexes","CrystEngComm","2016","18","26","4977","","10.1039/C6CE00209A","","","0.71073","MoKα","","0.0457","0.0443","","","0.1102","0.111","","","","","","1.12","","","","has coordinates,has disorder","185201","2020-10-21","18:00:00",""
"7224630","16.504","0.004","23.227","0.003","38.406","0.007","73.798","0.012","80.363","0.016","85.658","0.015","13932","5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C168 H96 O195 S24 Tb8 -","- C168 H96 O195 S24 Tb8 -","- C336 H192 O390 S48 Tb16 -","2","1","","Miller-Shakesby, David M.; Burke, Benjamin P.; Nigam, Shubhanchi; Stasiuk, Graeme J.; Prior, Timothy J.; Archibald, Stephen J.; Redshaw, Carl","Synthesis, structures and cytotoxicity studies of p-sulfonatocalix[4]arene lanthanide complexes","CrystEngComm","2016","18","26","4977","","10.1039/C6CE00209A","","","0.71073","MoKα","","0.1324","0.0838","","","0.2125","0.2453","","","","","","0.823","","","","has coordinates","185201","2020-10-21","18:00:00",""
"7224631","11.9482","0.001","12.3059","0.0008","15.2457","0.0012","68.694","0.005","77.073","0.006","89.16","0.006","2030","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H32 Cl2 O23 S4 -","- C29 H32 Cl2 O23 S4 -","- C58 H64 Cl4 O46 S8 -","2","1","","Miller-Shakesby, David M.; Burke, Benjamin P.; Nigam, Shubhanchi; Stasiuk, Graeme J.; Prior, Timothy J.; Archibald, Stephen J.; Redshaw, Carl","Synthesis, structures and cytotoxicity studies of p-sulfonatocalix[4]arene lanthanide complexes","CrystEngComm","2016","18","26","4977","","10.1039/C6CE00209A","","","0.71073","MoKα","","0.1462","0.0676","","","0.1521","0.176","","","","","","0.828","","","","has coordinates,has disorder","185201","2020-10-21","18:00:00",""
"7224632","9.4916","0.0009","18.1887","0.0017","22.275","0.002","91.579","0.001","97.329","0.001","102.755","0.001","3713.8","0.6","173","2","173","2","","","","","","","No.","5","P -1","-P 1","2","pCF3DTDA","4-(4-trifluormethylphenyl)-1,2,3,5-dithiadiazolyl","","- C8 H4 F3 N2 S2 -","- C8 H4 F3 N2 S2 -","- C128 H64 F48 N32 S32 -","16","8","","Boeré, René T.","Short contacts of the sulphur atoms of a 1,2,3,5-dithiadiazolyl dimer with triphenylstibine: first co-crystal with an aromatic compound","CrystEngComm","2016","18","15","2748","","10.1039/C6CE00351F","","x-ray","0.71073","MoKα","","0.1396","0.054","","","0.093","0.1185","","","","","","0.973","","","","has coordinates,has disorder","182644","2020-10-21","18:00:00",""
"7224633","11.4543","0.001","11.7399","0.001","13.948","0.0012","73.364","0.001","73.247","0.001","82.579","0.001","1718.6","0.3","263","2","263","2","","","101","","","","","6","P -1","-P 1","2","4-(4-Trifluoromethylphenyl)-1,2,3,5-dithiadiazolyl triphenylstibine 2:1","2,7-bis[4-(trifluoromethyl)phenyl]-4/l4,5/l4,9/l4,10/l4-tetrathieto[1,2-a:3,4-a']bis[1,2,3,5]dithiadiazole triphenylstibine","","- C34 H23 F6 N4 S4 Sb -","- C34 H23 F6 N4 S4 Sb -","- C68 H46 F12 N8 S8 Sb2 -","2","1","","Boeré, René T.","Short contacts of the sulphur atoms of a 1,2,3,5-dithiadiazolyl dimer with triphenylstibine: first co-crystal with an aromatic compound","CrystEngComm","2016","18","15","2748","","10.1039/C6CE00351F","","x-ray","0.71073","MoKα","","0.0404","0.0313","","","0.0789","0.0864","","","","","","1.054","","","","has coordinates,has disorder","182644","2020-10-21","18:00:00",""
"7224634","31.614","0.002","14.2436","0.0004","24.503","0.001","90","","124.645","0.007","90","","9077.3","1.1","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C43 H47 Br3 Cl2 N6 O3 -","- C43 H47 Br3 Cl2 N6 O3 -","- C344 H376 Br24 Cl16 N48 O24 -","8","1","","Petryk, Małgorzata; Biniek, Katarzyna; Janiak, Agnieszka; Kwit, Marcin","Unexpected narcissistic self-sorting at molecular and supramolecular levels in racemic chiral calixsalens","CrystEngComm","2016","18","26","4996","","10.1039/C6CE00256K","","","0.71073","MoKα","","0.0733","0.0448","","","0.0817","0.0911","","","","","","1.02","","","","has coordinates,has disorder","185205","2020-10-21","18:00:00",""
"7224635","14.1389","0.0002","20.7594","0.0002","32.7591","0.0004","90","","100.665","0.001","90","","9449.2","0.2","130","2","130","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C47 H57 N7 O3 -","- C46 H55.5 N6.5 O3 -","- C368 H444 N52 O24 -","8","2","","Petryk, Małgorzata; Biniek, Katarzyna; Janiak, Agnieszka; Kwit, Marcin","Unexpected narcissistic self-sorting at molecular and supramolecular levels in racemic chiral calixsalens","CrystEngComm","2016","18","26","4996","","10.1039/C6CE00256K","","","1.54184","CuKα","","0.0632","0.054","","","0.1496","0.1562","","","","","","1.037","","","","has coordinates","185205","2020-10-21","18:00:00",""
"7224636","17.3951","0.0003","26.2912","0.0004","27.8638","0.0005","90","","106.088","0.002","90","","12244.1","0.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C56 H75 N7 O3 -","- C56 H75 N7 O3 -","- C448 H600 N56 O24 -","8","2","","Petryk, Małgorzata; Biniek, Katarzyna; Janiak, Agnieszka; Kwit, Marcin","Unexpected narcissistic self-sorting at molecular and supramolecular levels in racemic chiral calixsalens","CrystEngComm","2016","18","26","4996","","10.1039/C6CE00256K","","","1.54184","CuKα","","0.0754","0.0517","","","0.129","0.1392","","","","","","1.002","","","","has coordinates","185205","2020-10-21","18:00:00",""
"7224648","20.164","0.004","16.345","0.005","16.679","0.005","90","","90","","90","","5497","3","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C87 H72 La2 N2 O40 -","- C87 H72 La2 N2 O40 -","- C174 H144 La4 N4 O80 -","2","0.5","","Sun, Jing-Wen; Li, Shang-Ju; Yan, Peng-Fei; Yao, Xu; Li, Guang-Ming","In situ recrystallization of lanthanide coordination polymers: from 1D ladder chains to 1D linear chains","CrystEngComm","2016","18","17","3079","","10.1039/C6CE00182C","","","0.71073","MoKα","","0.1004","0.0685","","","0.1849","0.2095","","","","","","1.037","","","","has coordinates","182657","2020-10-21","18:00:00",""
"7224649","20.052","0.007","16.35","0.004","16.623","0.004","90","","90","","90","","5450","3","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C44 H36 Lu N O20 -","- C44 H36 Lu N O20 -","- C176 H144 Lu4 N4 O80 -","4","1","","Sun, Jing-Wen; Li, Shang-Ju; Yan, Peng-Fei; Yao, Xu; Li, Guang-Ming","In situ recrystallization of lanthanide coordination polymers: from 1D ladder chains to 1D linear chains","CrystEngComm","2016","18","17","3079","","10.1039/C6CE00182C","","","0.71073","MoKα","","0.078","0.0584","","","0.1549","0.1698","","","","","","1.076","","","","has coordinates","182657","2020-10-21","18:00:00",""
"7224650","20.14","0.004","16.625","0.003","16.701","0.003","90","","90","","90","","5592","1.8","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C44 H36 Gd N O20 -","- C44 H36 Gd N O20 -","- C176 H144 Gd4 N4 O80 -","4","1","","Sun, Jing-Wen; Li, Shang-Ju; Yan, Peng-Fei; Yao, Xu; Li, Guang-Ming","In situ recrystallization of lanthanide coordination polymers: from 1D ladder chains to 1D linear chains","CrystEngComm","2016","18","17","3079","","10.1039/C6CE00182C","","","0.71073","MoKα","","0.0453","0.0406","","","0.1076","0.1096","","","","","","1.096","","","","has coordinates","182657","2020-10-21","18:00:00",""
"7224651","20.285","0.004","16.776","0.003","16.805","0.003","90","","90","","90","","5718.8","1.8","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C44 H36 N O20 Pr -","- C44 H36 N O20 Pr -","- C176 H144 N4 O80 Pr4 -","4","1","","Sun, Jing-Wen; Li, Shang-Ju; Yan, Peng-Fei; Yao, Xu; Li, Guang-Ming","In situ recrystallization of lanthanide coordination polymers: from 1D ladder chains to 1D linear chains","CrystEngComm","2016","18","17","3079","","10.1039/C6CE00182C","","","0.71073","MoKα","","0.0689","0.0375","","","0.0856","0.0924","","","","","","0.858","","","","has coordinates","182657","2020-10-21","18:00:00",""
"7224652","9.4321","0.0019","23.555","0.005","16.669","0.003","90","","102.81","0.03","90","","3611.2","1.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C58 H47 La2 O31 -","- C58 H47 La2 O31 -","- C116 H94 La4 O62 -","2","1","","Sun, Jing-Wen; Li, Shang-Ju; Yan, Peng-Fei; Yao, Xu; Li, Guang-Ming","In situ recrystallization of lanthanide coordination polymers: from 1D ladder chains to 1D linear chains","CrystEngComm","2016","18","17","3079","","10.1039/C6CE00182C","","","0.71073","MoKα","","0.0593","0.0497","","","0.1334","0.1475","","","","","","1.054","","","","has coordinates,has disorder","182657","2020-10-21","18:00:00",""
"7224653","9.4048","0.0019","23.598","0.005","16.683","0.003","90","","102.47","0.03","90","","3615.2","1.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C58 H48 Ce2 O31 -","- C58 H48 Ce2 O31 -","- C116 H96 Ce4 O62 -","2","1","","Sun, Jing-Wen; Li, Shang-Ju; Yan, Peng-Fei; Yao, Xu; Li, Guang-Ming","In situ recrystallization of lanthanide coordination polymers: from 1D ladder chains to 1D linear chains","CrystEngComm","2016","18","17","3079","","10.1039/C6CE00182C","","","0.71073","MoKα","","0.0735","0.055","","","0.1364","0.1472","","","","","","0.981","","","","has coordinates","182657","2020-10-21","18:00:00",""
"7224654","9.333","0.0009","23.444","0.002","16.4638","0.0015","90","","103.628","0.001","90","","3500.9","0.6","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C58 H48 O31 Pr2 -","- C58 H48 O31 Pr2 -","- C116 H96 O62 Pr4 -","2","1","","Sun, Jing-Wen; Li, Shang-Ju; Yan, Peng-Fei; Yao, Xu; Li, Guang-Ming","In situ recrystallization of lanthanide coordination polymers: from 1D ladder chains to 1D linear chains","CrystEngComm","2016","18","17","3079","","10.1039/C6CE00182C","","","0.71073","MoKα","","0.0513","0.0475","","","0.1284","0.1321","","","","","","1.055","","","","has coordinates","182657","2020-10-21","18:00:00",""
"7224655","9.3238","0.0019","23.424","0.005","16.73","0.003","90","","102.7","0.03","90","","3564.5","1.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C57 H45 Nd2 O31 -","- C57 H45 Nd2 O31 -","- C114 H90 Nd4 O62 -","2","1","","Sun, Jing-Wen; Li, Shang-Ju; Yan, Peng-Fei; Yao, Xu; Li, Guang-Ming","In situ recrystallization of lanthanide coordination polymers: from 1D ladder chains to 1D linear chains","CrystEngComm","2016","18","17","3079","","10.1039/C6CE00182C","","","0.71073","MoKα","","0.0759","0.0558","","","0.1435","0.1784","","","","","","1.081","","","","has coordinates","182657","2020-10-21","18:00:00",""
"7224656","20.195","0.004","16.765","0.003","16.778","0.003","90","","90","","90","","5680.5","1.8","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C44 H36 Ce N O20 -","- C44 H36 Ce N O20 -","- C176 H144 Ce4 N4 O80 -","4","1","","Sun, Jing-Wen; Li, Shang-Ju; Yan, Peng-Fei; Yao, Xu; Li, Guang-Ming","In situ recrystallization of lanthanide coordination polymers: from 1D ladder chains to 1D linear chains","CrystEngComm","2016","18","17","3079","","10.1039/C6CE00182C","","","0.71073","MoKα","","0.036","0.0342","","","0.0972","0.0985","","","","","","1.05","","","","has coordinates","182657","2020-10-21","18:00:00",""
"7224657","20.169","0.004","16.722","0.003","16.759","0.003","90","","90","","90","","5652.2","1.8","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C44 H36 N Nd O20 -","- C44 H36 N Nd O20 -","- C176 H144 N4 Nd4 O80 -","4","1","","Sun, Jing-Wen; Li, Shang-Ju; Yan, Peng-Fei; Yao, Xu; Li, Guang-Ming","In situ recrystallization of lanthanide coordination polymers: from 1D ladder chains to 1D linear chains","CrystEngComm","2016","18","17","3079","","10.1039/C6CE00182C","","","0.71073","MoKα","","0.0456","0.04","","","0.1152","0.1181","","","","","","1.058","","","","has coordinates","182657","2020-10-21","18:00:00",""
"7224658","7.2055","0.0003","10.5292","0.0004","13.3705","0.0005","79.615","0.0014","75.18","0.0015","75.853","0.0015","943.38","0.06","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H40 N4 O24 Zn3 -","- C32 H40 N4 O24 Zn3 -","- C32 H40 N4 O24 Zn3 -","1","0.5","","Wu, Bing; Zhang, Wen-Hua; Lang, Jian-Ping","Site-selective homo- and hetero-metallic doping of a 1D Zn-based coordination polymer to enhance the dimensionality and photocurrent responses","CrystEngComm","2016","18","17","3048","","10.1039/C6CE00187D","","","0.71073","MoKα","","0.035","0.025","","","0.0542","0.0574","","","","","","1.026","","","","has coordinates","182658","2020-10-21","18:00:00",""
"7224659","7.2017","0.0005","10.522","0.0007","13.3762","0.0009","79.622","0.003","75.172","0.003","75.896","0.003","942.78","0.11","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H20 Co0.12 N2 O12 Zn1.38 -","- C16 H20 Co0.12 N2 O12 Zn1.38 -","- C32 H40 Co0.24 N4 O24 Zn2.76 -","2","1","","Wu, Bing; Zhang, Wen-Hua; Lang, Jian-Ping","Site-selective homo- and hetero-metallic doping of a 1D Zn-based coordination polymer to enhance the dimensionality and photocurrent responses","CrystEngComm","2016","18","17","3048","","10.1039/C6CE00187D","","","0.71073","MoKα","","0.0596","0.0384","","","0.0682","0.0743","","","","","","1.019","","","","has coordinates,has disorder","182658","2020-10-21","18:00:00",""
"7224660","7.2538","0.0004","10.5659","0.001","13.3762","0.0009","79.593","0.007","75.556","0.005","75.382","0.007","953.04","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H20 Co0.3 N2 O12 Zn1.2 -","- C16 H20 Co0.3 N2 O12 Zn1.2 -","- C32 H40 Co0.6 N4 O24 Zn2.4 -","2","1","","Wu, Bing; Zhang, Wen-Hua; Lang, Jian-Ping","Site-selective homo- and hetero-metallic doping of a 1D Zn-based coordination polymer to enhance the dimensionality and photocurrent responses","CrystEngComm","2016","18","17","3048","","10.1039/C6CE00187D","","","0.71073","MoKα","","0.0392","0.0311","","","0.0738","0.0797","","","","","","1.029","","","","has coordinates,has disorder","182658","2020-10-21","18:00:00",""
"7224661","7.2078","0.0003","10.5186","0.0004","13.3785","0.0005","79.506","0.0014","75.031","0.0015","75.782","0.0015","942.21","0.06","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H40 Co N4 O24 Zn2 -","- C32 H40 Co N4 O24 Zn2 -","- C32 H40 Co N4 O24 Zn2 -","1","0.5","","Wu, Bing; Zhang, Wen-Hua; Lang, Jian-Ping","Site-selective homo- and hetero-metallic doping of a 1D Zn-based coordination polymer to enhance the dimensionality and photocurrent responses","CrystEngComm","2016","18","17","3048","","10.1039/C6CE00187D","","","0.71073","MoKα","","0.035","0.026","","","0.0547","0.0576","","","","","","1.062","","","","has coordinates","182658","2020-10-21","18:00:00",""
"7224662","28.2608","0.0003","17.9257","0.0003","10.2348","0.0001","90","","90","","90","","5184.89","0.11","310","2","310","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C24 H24 Cl4.49 N1.5 O3 -","- C24 H24 Cl4.486 N1.5 O3 -","- C192 H192 Cl35.888 N12 O24 -","8","1","","Zeng, Siyuan; Sun, Zhihua; Ji, Chengmin; Zhang, Shuquan; Song, Cheng; Luo, Junhua","Dibenzylammonium trichloroacetate: an above-room-temperature order‒disorder switchable dielectric material","CrystEngComm","2016","18","20","3606","","10.1039/C6CE00194G","","","1.54184","CuKα","","0.0894","0.0743","","","0.2093","0.2332","","","","","","1.065","","","","has coordinates,has disorder","185234","2020-10-21","18:00:00",""
"7224663","28.2714","0.0003","17.9408","0.0002","10.2446","0.0001","90","","90","","90","","5196.18","0.09","315","2","315","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C24 H24 Cl4.49 N1.5 O3 -","- C24 H24 Cl4.4935 N1.5 O3 -","- C192 H192 Cl35.948 N12 O24 -","8","1","","Zeng, Siyuan; Sun, Zhihua; Ji, Chengmin; Zhang, Shuquan; Song, Cheng; Luo, Junhua","Dibenzylammonium trichloroacetate: an above-room-temperature order‒disorder switchable dielectric material","CrystEngComm","2016","18","20","3606","","10.1039/C6CE00194G","","","1.54184","CuKα","","0.0886","0.0775","","","0.2158","0.2301","","","","","","1.06","","","","has coordinates,has disorder","185234","2020-10-21","18:00:00",""
"7224664","28.2869","0.0004","17.9428","0.0003","10.2513","0.0001","90","","90","","90","","5203.01","0.12","320","2","320","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C24 H24 Cl4.5 N1.5 O3 -","- C24 H24 Cl4.5 N1.5 O3 -","- C192 H192 Cl36 N12 O24 -","8","1","","Zeng, Siyuan; Sun, Zhihua; Ji, Chengmin; Zhang, Shuquan; Song, Cheng; Luo, Junhua","Dibenzylammonium trichloroacetate: an above-room-temperature order‒disorder switchable dielectric material","CrystEngComm","2016","18","20","3606","","10.1039/C6CE00194G","","","1.54184","CuKα","","0.1013","0.085","","","0.2402","0.2619","","","","","","1.077","","","","has coordinates,has disorder","185234","2020-10-21","18:00:00",""
"7224665","27.9771","0.001","17.8261","0.0007","10.0751","0.0003","90","","90","","90","","5024.7","0.3","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C24 H24 Cl4.5 N1.5 O3 -","- C24 H24 Cl4.5 N1.5 O3 -","- C192 H192 Cl36 N12 O24 -","8","1","","Zeng, Siyuan; Sun, Zhihua; Ji, Chengmin; Zhang, Shuquan; Song, Cheng; Luo, Junhua","Dibenzylammonium trichloroacetate: an above-room-temperature order‒disorder switchable dielectric material","CrystEngComm","2016","18","20","3606","","10.1039/C6CE00194G","","","0.71073","MoKα","","0.0565","0.04","","","0.0932","0.103","","","","","","1.024","","","","has coordinates","185234","2020-10-21","18:00:00",""
"7224692","14.0292","0.0009","5.0669","0.0004","14.7229","0.0011","90","","99.433","0.007","90","","1032.42","0.13","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 N2 O4 -","- C26 H22 N2 O4 -","- C52 H44 N4 O8 -","2","0.5","","Safin, Damir A.; Robeyns, Koen; Babashkina, Maria G.; Filinchuk, Yaroslav; Rotaru, Aurelian; Jureschi, Catalin; Mitoraj, Mariusz P.; Hooper, James; Brela, Mateusz; Garcia, Yann","Polymorphism driven optical properties of an anil dye","CrystEngComm","2016","18","38","7249","","10.1039/C6CE00266H","","","0.71073","MoKα","","0.062","0.0567","","","0.1437","0.1476","","","","","","1.081","","","","has coordinates","187029","2020-10-21","18:00:00",""
"7224693","6.7362","0.0006","24.2039","0.0015","6.8686","0.0005","90","","112.293","0.009","90","","1036.17","0.15","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 N2 O4 -","- C26 H22 N2 O4 -","- C52 H44 N4 O8 -","2","0.5","","Safin, Damir A.; Robeyns, Koen; Babashkina, Maria G.; Filinchuk, Yaroslav; Rotaru, Aurelian; Jureschi, Catalin; Mitoraj, Mariusz P.; Hooper, James; Brela, Mateusz; Garcia, Yann","Polymorphism driven optical properties of an anil dye","CrystEngComm","2016","18","38","7249","","10.1039/C6CE00266H","","","0.71073","MoKα","","0.0519","0.0411","","","0.0985","0.1073","","","","","","1.074","","","","has coordinates","187029","2020-10-21","18:00:00",""
"7224701","10.4247","0.0005","13.3796","0.0007","15.0146","0.0007","71.1","0.002","69.931","0.002","76.203","0.002","1841.79","0.16","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H78 Ca2 Cd2 Cl8 N24 O25 -","- C44 H52 Ca2 Cd2 Cl8 N24 O22 -","- C44 H52 Ca2 Cd2 Cl8 N24 O22 -","1","0.5","","Shen, Fang-Fang; Wang, Chuan-Zeng; Zhao, Wen-Xuan; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu; Lindoy, Leonard F.; Wei, Gang","Coordination of alkaline-earth metal cations to a symmetrical octamethyl-substituted cucurbituril in the presence of polychlorido cadmium(ii) anions","CrystEngComm","2016","18","26","4988","","10.1039/C6CE00255B","","","0.71073","MoKα","","0.0461","0.0423","","","0.1188","0.1216","","","","","","1.039","","","","has coordinates","185204","2020-10-21","18:00:00",""
"7224702","10.694","0.019","13.459","0.023","15.1057","0.0027","99.314","0.028","107.545","0.018","105.669","0.018","1925","5","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H92 Cd2 Cl8 N24 O32 Sr2 -","- C44 H52 Cd2 Cl8 N24 O24 Sr2 -","- C44 H52 Cd2 Cl8 N24 O24 Sr2 -","1","0.5","","Shen, Fang-Fang; Wang, Chuan-Zeng; Zhao, Wen-Xuan; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu; Lindoy, Leonard F.; Wei, Gang","Coordination of alkaline-earth metal cations to a symmetrical octamethyl-substituted cucurbituril in the presence of polychlorido cadmium(ii) anions","CrystEngComm","2016","18","26","4988","","10.1039/C6CE00255B","","","0.71073","MoKα","","0.0782","0.0675","","","0.2033","0.2125","","","","","","1.076","","","","has coordinates","185204","2020-10-21","18:00:00",""
"7224703","15.676","0.003","17.177","0.004","20.2","0.004","92.786","0.003","105.91","0.003","116.818","0.003","4573.2","1.7","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H130 Ba2 Cd Cl6 N24 O51 -","- C44 H52 Ba2 Cd Cl6 N24 O19 -","- C88 H104 Ba4 Cd2 Cl12 N48 O38 -","2","1","","Shen, Fang-Fang; Wang, Chuan-Zeng; Zhao, Wen-Xuan; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu; Lindoy, Leonard F.; Wei, Gang","Coordination of alkaline-earth metal cations to a symmetrical octamethyl-substituted cucurbituril in the presence of polychlorido cadmium(ii) anions","CrystEngComm","2016","18","26","4988","","10.1039/C6CE00255B","","","0.71073","MoKα","","0.1135","0.0594","","","0.1469","0.1651","","","","","","0.818","","","","has coordinates,has disorder","185204","2020-10-21","18:00:00",""
"7224724","5.947","0.003","8.068","0.008","13.411","0.005","90","","95.94","0.03","90","","640","0.8","296","2","296","2","350000","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N,N-dimethylbipyridinium dibromide","","","- C12 H14 Br2 N2 -","- C12 H14 Br2 N2 -","- C24 H28 Br4 N4 -","2","0.5","","Anioła, Michalina; Katrusiak, Andrzej","Pressure-preferred symmetric reactions of 4,4′-bipyridine hydrobromide","CrystEngComm","2016","18","18","3223","","10.1039/C6CE00356G","","","0.71073","MoKα","","0.097","0.0879","","","0.2298","0.24","","","","","","1.041","","","","has coordinates","182635","2020-10-21","18:00:00",""
"7224725","4.8986","0.0006","7.6614","0.001","7.989","0.0009","70.464","0.011","87.005","0.01","77.176","0.011","275.44","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","44'-bipyridine hydrobromide","","","- C10 H10 Br2 N2 -","- C10 H10 Br2 N2 -","- C10 H10 Br2 N2 -","1","0.5","","Anioła, Michalina; Katrusiak, Andrzej","Pressure-preferred symmetric reactions of 4,4′-bipyridine hydrobromide","CrystEngComm","2016","18","18","3223","","10.1039/C6CE00356G","","","0.71073","MoKα","","0.0193","0.0184","","","0.0448","0.0451","","","","","","1.045","","","","has coordinates","182635","2020-10-21","18:00:00",""
"7224726","4.8839","0.0015","7.622","0.005","7.951","0.004","70.87","0.06","86.78","0.04","77.39","0.05","272.8","0.3","296","2","296","2","10000","","","","","","","4","P -1","-P 1","2","bipyridine hydrobromide","bipyridine hydrobromide","","- C10 H10 Br2 N2 -","- C10 H10 Br2 N2 -","- C10 H10 Br2 N2 -","1","0.5","","Anioła, Michalina; Katrusiak, Andrzej","Pressure-preferred symmetric reactions of 4,4′-bipyridine hydrobromide","CrystEngComm","2016","18","18","3223","","10.1039/C6CE00356G","","","0.71073","MoKα","","0.067","0.0623","","","0.1467","0.1523","","","","","","1.211","","","","has coordinates","182635","2020-10-21","18:00:00",""
"7224727","4.874","0.004","7.567","0.006","7.936","0.004","70.73","0.06","86.64","0.05","77.47","0.07","269.7","0.4","296","2","296","2","20000","","","","","","","4","P -1","-P 1","2","bipyridine hydrobromide","bipyridine hydrobromide","","- C10 H10 Br2 N2 -","- C10 H10 Br2 N2 -","- C10 H10 Br2 N2 -","1","0.5","","Anioła, Michalina; Katrusiak, Andrzej","Pressure-preferred symmetric reactions of 4,4′-bipyridine hydrobromide","CrystEngComm","2016","18","18","3223","","10.1039/C6CE00356G","","","0.71073","MoKα","","0.0535","0.0487","","","0.1178","0.1238","","","","","","1.048","","","","has coordinates","182635","2020-10-21","18:00:00",""
"7224728","4.845","0.0011","7.453","0.002","7.875","0.005","70.89","0.04","86.82","0.04","77.82","0.02","262.6","0.2","296","2","296","2","50000","","","","","","","4","P -1","-P 1","2","bipyridine hydrobromide","bipyridine hydrobromide","","- C10 H10 Br2 N2 -","- C10 H10 Br2 N2 -","- C10 H10 Br2 N2 -","1","0.5","","Anioła, Michalina; Katrusiak, Andrzej","Pressure-preferred symmetric reactions of 4,4′-bipyridine hydrobromide","CrystEngComm","2016","18","18","3223","","10.1039/C6CE00356G","","","0.71073","MoKα","","0.0427","0.0332","","","0.0656","0.0693","","","","","","1.438","","","","has coordinates","182635","2020-10-21","18:00:00",""
"7224729","4.8011","0.0017","7.275","0.004","7.759","0.005","71.06","0.06","86.46","0.05","78.64","0.04","251.3","0.3","296","2","296","2","100000","","","","","","","4","P -1","-P 1","2","bipyridine hydrobromide","bipyridine hydrobromide","","- C10 H10 Br2 N2 -","- C10 H10 Br2 N2 -","- C10 H10 Br2 N2 -","1","0.5","","Anioła, Michalina; Katrusiak, Andrzej","Pressure-preferred symmetric reactions of 4,4′-bipyridine hydrobromide","CrystEngComm","2016","18","18","3223","","10.1039/C6CE00356G","","","0.71073","MoKα","","0.082","0.0511","","","0.1094","0.1273","","","","","","1.006","","","","has coordinates","182635","2020-10-21","18:00:00",""
"7224730","10.33","0.0006","12.704","0.0007","12.798","0.0006","102.776","0.002","99.919","0.002","108.779","0.002","1495.87","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 N3 O5 S -","- C15 H15 N3 O5 S -","- C60 H60 N12 O20 S4 -","4","2","","Shi, X.; El Hassan, N.; Ikni, A.; Li, W.; Guiblin, N.; Spasojević de-Biré, A.; Ghermani, N. E.","Experimental electron densities of neutral and zwitterionic forms of the drug piroxicam","CrystEngComm","2016","18","18","3289","","10.1039/C5CE02397A","","","0.71069","MoKα","","0.0226","0.0226","","","0.0402","0.0402","","","","","","0.987","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7224731","7.031","0.005","14.975","0.005","13.892","0.005","90","","96.408","0.005","90","","1453.5","1.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N3 O4 S -","- C15 H13 N3 O4 S -","- C60 H52 N12 O16 S4 -","4","1","","Shi, X.; El Hassan, N.; Ikni, A.; Li, W.; Guiblin, N.; Spasojević de-Biré, A.; Ghermani, N. E.","Experimental electron densities of neutral and zwitterionic forms of the drug piroxicam","CrystEngComm","2016","18","18","3289","","10.1039/C5CE02397A","","","0.71073","MoKα","","0.0239","0.0239","","","0.0331","0.0331","","","","","","0.543","","","","has coordinates","182634","2020-10-21","18:00:00",""
"7224732","15.488","0.005","8.481","0.005","17.387","0.005","90","","112.763","0.005","90","","2106","1.5","100","2","100","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C9 H9 N3 O2 S2 -","- C9 H9 N3 O2 S2 -","- C72 H72 N24 O16 S16 -","8","2","","Shi, X.; El Hassan, N.; Ikni, A.; Li, W.; Guiblin, N.; Spasojević de-Biré, A.; Ghermani, N. E.","Experimental electron densities of neutral and zwitterionic forms of the drug piroxicam","CrystEngComm","2016","18","18","3289","","10.1039/C5CE02397A","","","0.71073","MoKα","","0.0211","0.0211","","","0.0323","0.0323","","","","","","0.474","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7224733","10.7694","0.0003","8.461","0.0003","11.3742","0.0003","90","","91.626","0.001","90","","1036","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 N3 O2 S2 -","- C9 H9 N3 O2 S2 -","- C36 H36 N12 O8 S8 -","4","1","","Shi, X.; El Hassan, N.; Ikni, A.; Li, W.; Guiblin, N.; Spasojević de-Biré, A.; Ghermani, N. E.","Experimental electron densities of neutral and zwitterionic forms of the drug piroxicam","CrystEngComm","2016","18","18","3289","","10.1039/C5CE02397A","","","0.71073","MoKα","","0.0193","0.0193","","","0.0298","0.0298","","","","","","0.517","","","","has coordinates","182634","2020-10-21","18:00:00",""
"7224734","15.3248","0.001","15.3248","0.001","23.354","0.003","90","","90","","90","","5484.7","0.9","293","","293","","","","","","","","","6","I 4/m","-I 4","87","","","","- C100 H100 Br4 Cu2 N16 O2 -","- C100 H96 Br4 Cu2 N16 O2 -","- C200 H192 Br8 Cu4 N32 O4 -","2","0.125","","Sone, Eriko; Sato, Moeko; Mochizuki, Masaru; Kamio, Chihiro; Yamanishi, Katsunori; Kondo, Mitsuru","Cationic M2L4cages for perchlorate removal from aqueous solutions and preferential perchlorate incorporation in hydrophilic solutions","CrystEngComm","2016","18","26","5004","","10.1039/C6CE00267F","","","0.7107","MoKα","","","0.0933","","","","0.1855","","","","","","1.18","","","","has coordinates","185202","2020-10-21","18:00:00",""
"7224735","15.2312","0.0008","15.2312","0.0008","23.338","0.002","90","","90","","90","","5414.2","0.6","293","","293","","","","","","","","","6","I 4/m","-I 4","87","","","","- C100 H100 Cl4 Cu2 N16 O2 -","- C100 H96 Cl4 Cu2 N16 O2 -","- C200 H192 Cl8 Cu4 N32 O4 -","2","0.125","","Sone, Eriko; Sato, Moeko; Mochizuki, Masaru; Kamio, Chihiro; Yamanishi, Katsunori; Kondo, Mitsuru","Cationic M2L4cages for perchlorate removal from aqueous solutions and preferential perchlorate incorporation in hydrophilic solutions","CrystEngComm","2016","18","26","5004","","10.1039/C6CE00267F","","","0.7107","MoKα","","","0.0783","","","","0.1696","","","","","","1.051","","","","has coordinates","185202","2020-10-21","18:00:00",""
"7224736","16.918","0.002","16.918","0.002","32.534","0.005","90","","90","","90","","9312","2","293","","293","","","","","","","","","7","P 4/n c c","-P 4a 2ac","130","","","","- C100 H98 Br2 Cu2 N16 O5 S -","- C100 H96 Br2 Cu2 N16 O5 S -","- C400 H384 Br8 Cu8 N64 O20 S4 -","4","","","Sone, Eriko; Sato, Moeko; Mochizuki, Masaru; Kamio, Chihiro; Yamanishi, Katsunori; Kondo, Mitsuru","Cationic M2L4cages for perchlorate removal from aqueous solutions and preferential perchlorate incorporation in hydrophilic solutions","CrystEngComm","2016","18","26","5004","","10.1039/C6CE00267F","","","0.7107","MoKα","","0.0974","0.0755","","","0.1341","0.1442","","","","","","1.073","","","","has coordinates","185202","2020-10-21","18:00:00",""
"7224737","16.689","0.004","16.689","0.004","32.737","0.008","90","","90","","90","","9118","4","293","","293","","","","","","","","","7","P 4/n c c","-P 4a 2ac","130","","","","- C100 H98 Cl2 Cu2 N16 O5 S -","- C100 H96 Cl2 Cu2 N16 O5 S -","- C400 H384 Cl8 Cu8 N64 O20 S4 -","4","","","Sone, Eriko; Sato, Moeko; Mochizuki, Masaru; Kamio, Chihiro; Yamanishi, Katsunori; Kondo, Mitsuru","Cationic M2L4cages for perchlorate removal from aqueous solutions and preferential perchlorate incorporation in hydrophilic solutions","CrystEngComm","2016","18","26","5004","","10.1039/C6CE00267F","","","0.71075","MoKα","","","0.1463","","","","0.3398","","","","","","1.387","","","","has coordinates","185202","2020-10-21","18:00:00",""
"7224738","4.804","0.0003","9.8809","0.0007","10.0661","0.0009","75.987","0.001","81.807","0.002","79.391","0.001","453.26","0.06","298","2","298.15","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H12 Mn O8 -","- C22 H12 Mn O8 -","- C22 H12 Mn O8 -","1","0.5","","Mu, Bao; Li, Chang-Xia; Song, Ming; Ren, Yan-Li; Huang, Ru-Dan","The electrochemical properties, nitrogen adsorption, and photocatalytic activities of three 3D metal‒organic frameworks bearing the rigid terphenyl tetracarboxylates ligands","CrystEngComm","2016","18","17","3086","","10.1039/C6CE00087H","","","0.71073","MoKα","","0.0986","0.0702","","","0.1731","0.1891","","","","","","1.0052","","","","has coordinates","182662","2020-10-21","18:00:00",""
"7224739","11.0031","0.0009","11.2217","0.0011","11.6959","0.0011","69.193","0.001","79.676","0.001","81.008","0.002","1321.3","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H46 Ni6 O31 -","- C44 H46 Ni6 O31 -","- C44 H46 Ni6 O31 -","1","0.5","","Mu, Bao; Li, Chang-Xia; Song, Ming; Ren, Yan-Li; Huang, Ru-Dan","The electrochemical properties, nitrogen adsorption, and photocatalytic activities of three 3D metal‒organic frameworks bearing the rigid terphenyl tetracarboxylates ligands","CrystEngComm","2016","18","17","3086","","10.1039/C6CE00087H","","","1.54178","CuKα","","0.1899","0.0947","","","0.1871","0.2865","","","","","","1.032","","","","has coordinates","182662","2020-10-21","18:00:00",""
"7224740","23.432","0.002","9.5422","0.0008","18.9958","0.0017","90","","125.964","0.002","90","","3437.7","0.5","298","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H40 N4 O10 Zn -","- C32 H40 N4 O10 Zn -","- C128 H160 N16 O40 Zn4 -","4","0.5","","Mu, Bao; Li, Chang-Xia; Song, Ming; Ren, Yan-Li; Huang, Ru-Dan","The electrochemical properties, nitrogen adsorption, and photocatalytic activities of three 3D metal‒organic frameworks bearing the rigid terphenyl tetracarboxylates ligands","CrystEngComm","2016","18","17","3086","","10.1039/C6CE00087H","","","0.71073","MoKα","","0.0842","0.0448","","","0.0941","0.1147","","","","","","1.009","","","","has coordinates","182662","2020-10-21","18:00:00",""
"7224741","10.4929","0.0013","11.1254","0.0012","16.981","0.002","90.561","0.006","96.469","0.007","99.986","0.006","1939","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","PITE2","PITE2","","- C51 H51 N O -","- C51 H51 N O -","- C102 H102 N2 O2 -","2","1","","Sk, Bahadur; Patra, Abhijit","C‒C coupling over Schiff base condensation: a rational design strategy for a strongly fluorescent molecular material","CrystEngComm","2016","18","23","4290","","10.1039/C5CE02489G","","","0.71073","MoKα","","0.1148","0.058","","","0.1505","0.182","","","","","","1.001","","","","has coordinates","185289","2020-10-21","18:00:00",""
"7224742","9.1338","0.0002","13.6605","0.0002","16.0445","0.0003","90.823","0.001","91.397","0.001","101.432","0.001","1961.23","0.06","140","2","140","2","","","","","","","","3","P -1","-P 1","2","PITE1","PITE1","","- C51 H52 N2 -","- C51 H52 N2 -","- C102 H104 N4 -","2","1","","Sk, Bahadur; Patra, Abhijit","C‒C coupling over Schiff base condensation: a rational design strategy for a strongly fluorescent molecular material","CrystEngComm","2016","18","23","4290","","10.1039/C5CE02489G","","","0.71073","MoKα","","0.1221","0.0577","","","0.1193","0.148","","","","","","1.048","","","","has coordinates","185289","2020-10-21","18:00:00",""
"7224771","33.193","0.003","6.8956","0.0006","21.9291","0.0019","90","","114.468","0.002","90","","4568.5","0.7","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H40 Co N4 O8 -","- C58 H40 Co N4 O8 -","- C232 H160 Co4 N16 O32 -","4","0.5","","Meng, Xiang-min; Fan, Chuan-bin; Bi, Cai-feng; Zong, Zi-ao; Zhang, Xia; Fan, Yu-hua","Syntheses, structural diversity and photocatalytic properties of various Co(ii) coordination polymers based on a “V”-shaped 1,3-di(4′-carboxyl-phenyl)benzene acid and different imidazole bridging ligands","CrystEngComm","2016","18","16","2901","","10.1039/C5CE02473K","","","0.71073","MoKα","","0.1471","0.0757","","","0.1402","0.1589","","","","","","1.045","","","","has coordinates","182650","2020-10-21","18:00:00",""
"7224772","32.836","0.003","14.4409","0.0013","14.228","0.0012","90","","101.308","0.002","90","","6615.7","1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C80 H58 Co2 N10 O8 -","- C80 H58 Co2 N10 O8 -","- C320 H232 Co8 N40 O32 -","4","1","","Meng, Xiang-min; Fan, Chuan-bin; Bi, Cai-feng; Zong, Zi-ao; Zhang, Xia; Fan, Yu-hua","Syntheses, structural diversity and photocatalytic properties of various Co(ii) coordination polymers based on a “V”-shaped 1,3-di(4′-carboxyl-phenyl)benzene acid and different imidazole bridging ligands","CrystEngComm","2016","18","16","2901","","10.1039/C5CE02473K","","","0.71073","MoKα","","0.1692","0.0774","","","0.1816","0.2048","","","","","","1.03","","","","has coordinates","182650","2020-10-21","18:00:00",""
"7224773","32.8","0.003","12.586","0.0011","16.0471","0.0014","90","","116.928","0.003","90","","5906.3","0.9","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C70 H52 Co2 N12 O10 -","- C70 H52 Co2 N12 O10 -","- C280 H208 Co8 N48 O40 -","4","0.5","","Meng, Xiang-min; Fan, Chuan-bin; Bi, Cai-feng; Zong, Zi-ao; Zhang, Xia; Fan, Yu-hua","Syntheses, structural diversity and photocatalytic properties of various Co(ii) coordination polymers based on a “V”-shaped 1,3-di(4′-carboxyl-phenyl)benzene acid and different imidazole bridging ligands","CrystEngComm","2016","18","16","2901","","10.1039/C5CE02473K","","","0.71073","MoKα","","0.0844","0.0492","","","0.1045","0.1122","","","","","","1.066","","","","has coordinates","182650","2020-10-21","18:00:00",""
"7224774","27.805","0.003","9.381","0.0009","24.923","0.002","90","","114.715","0.003","90","","5905.4","1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H26 Co N3 O5 -","- C30 H26 Co N2.9995 O4.9995 -","- C240 H208 Co8 N23.996 O39.996 -","8","1","","Meng, Xiang-min; Fan, Chuan-bin; Bi, Cai-feng; Zong, Zi-ao; Zhang, Xia; Fan, Yu-hua","Syntheses, structural diversity and photocatalytic properties of various Co(ii) coordination polymers based on a “V”-shaped 1,3-di(4′-carboxyl-phenyl)benzene acid and different imidazole bridging ligands","CrystEngComm","2016","18","16","2901","","10.1039/C5CE02473K","","","0.71073","MoKα","","0.1123","0.0603","","","0.1627","0.1935","","","","","","1.033","","","","has coordinates,has disorder","182650","2020-10-21","18:00:00",""
"7224775","5.3407","0.0004","10.8805","0.0009","20.8512","0.0012","93.153","0.006","94.366","0.006","99.411","0.007","1189.07","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H22 N O5 S6 -","- C19 H19 N O5 S6 -","- C38 H38 N2 O10 S12 -","2","1","","Huo, Peng; Xue, Li-Jun; Li, Yan-Hong; Chen, Ting; Yu, Lei; Zhu, Qin-Yu; Dai, Jie","Effects of alkyl chain length on film morphologies and photocurrent responses of tetrathiafulvalene-bipyridinium charge-transfer salts: a study in terms of structures","CrystEngComm","2016","18","16","2894","","10.1039/C5CE02479J","","","0.71073","MoKα","","0.1072","0.0792","","","0.1747","0.1959","","","","","","1.047","","","","has coordinates","182653","2020-10-21","18:00:00",""
"7224776","9.7149","0.0006","13.5293","0.0006","21.8111","0.0009","78.118","0.004","83.149","0.004","86.593","0.004","2783.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H56 N2 O8 S12 -","- C46 H9 N2 O8 S12 -","- C92 H18 N4 O16 S24 -","2","1","","Huo, Peng; Xue, Li-Jun; Li, Yan-Hong; Chen, Ting; Yu, Lei; Zhu, Qin-Yu; Dai, Jie","Effects of alkyl chain length on film morphologies and photocurrent responses of tetrathiafulvalene-bipyridinium charge-transfer salts: a study in terms of structures","CrystEngComm","2016","18","16","2894","","10.1039/C5CE02479J","","","0.71073","MoKα","","0.1531","0.0976","","","0.1636","0.1885","","","","","","1.014","","","","has coordinates","182653","2020-10-21","18:00:00",""
"7224777","9.6659","0.0006","13.4126","0.0007","25.3171","0.0017","76.598","0.005","79.897","0.005","86.413","0.005","3142.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H72 N2 O8 S12 -","- C53 H18.92 N2 O8 S12 -","- C106 H37.84 N4 O16 S24 -","2","1","","Huo, Peng; Xue, Li-Jun; Li, Yan-Hong; Chen, Ting; Yu, Lei; Zhu, Qin-Yu; Dai, Jie","Effects of alkyl chain length on film morphologies and photocurrent responses of tetrathiafulvalene-bipyridinium charge-transfer salts: a study in terms of structures","CrystEngComm","2016","18","16","2894","","10.1039/C5CE02479J","","","0.71073","MoKα","","0.126","0.0904","","","0.1706","0.1864","","","","","","1.153","","","","has coordinates,has disorder","182653","2020-10-21","18:00:00",""
"7224779","24.513","0.005","18.922","0.004","17.238","0.003","90","","119.74","0.03","90","","6942","3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H15 Cu N4 O4 -","- C20 H15 Cu N4 O4 -","- C320 H240 Cu16 N64 O64 -","16","2","","Liu, Bai-Ling; Zang, Hong-Ying; Tan, Hua-Qiao; Wang, Yong-Hui; Li, Yang-Guang","Engineering the proton conductivity of metal‒organic hybrid materials by varying the coordination mode of the ligand","CrystEngComm","2016","18","18","3300","","10.1039/C6CE00299D","","","0.71073","MoKα","","0.073","0.0447","","","0.117","0.133","","","","","","0.954","","","","has coordinates","182637","2020-10-21","18:00:00",""
"7224780","7.3598","0.0015","14.818","0.003","26.434","0.005","90","","94.94","0.03","90","","2872.1","1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H38 Mo8 N8 O35 -","- C40 H38 Mo8 N8 O35 -","- C80 H76 Mo16 N16 O70 -","2","0.5","","Liu, Bai-Ling; Zang, Hong-Ying; Tan, Hua-Qiao; Wang, Yong-Hui; Li, Yang-Guang","Engineering the proton conductivity of metal‒organic hybrid materials by varying the coordination mode of the ligand","CrystEngComm","2016","18","18","3300","","10.1039/C6CE00299D","","","0.71073","MoKα","","0.0623","0.0417","","","0.0957","0.1024","","","","","","0.945","","","","has coordinates,has disorder","182637","2020-10-21","18:00:00",""
"7224785","22.5563","0.001","17.1001","0.001","11.3279","0.001","90","","108.512","0.01","90","","4143.3","0.5","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C17 H15 Ag F6 N4 O0 Sb -","- C17 H15 Ag F6 N4 Sb -","- C136 H120 Ag8 F48 N32 Sb8 -","8","1","","Jiang, Ji-Jun; Li, Xiang-Ping; Zhang, Xue-Li; Kang, Bei-Sheng; Su, Cheng-Yong","A new Ag(I)-4,4'-bipyridine coordination polymer of honeycomb (6,3) networks containing a Ag~6~(4,4'-bipy)~6~ hexagonal ring of 17 ×26 Å dimensions","CrystEngComm","2005","7","99","603","607","10.1039/b512098e","","","0.71073","MoKα","","0.1841","0.0724","","","0.1153","0.1439","","","","","","1.008","","","","has coordinates","180919","2020-10-21","18:00:00",""
"7224786","7.081","0.002","8.559","0.002","9.604","0.003","67","0.02","81.82","0.02","71.19","0.02","507.1","0.3","296","","296","","","","","","","","","4","P -1","-P 1","2","5,6-dimethylbenzimidazole ethanol solvate","5,6-dimethylbenzimidazole ethanol solvate","","- C11 H16 N2 O -","- C11 H16 N2 O -","- C22 H32 N4 O2 -","2","1","","Zielinski, Witold; Katrusiak, Andrzej","Pressure-induced preference for solvation of 5,6-dimethylbenzimidazole","CrystEngComm","2016","18","18","3211","","10.1039/C6CE00419A","","","0.71073","MoKα","","0.1535","0.0905","","","0.2311","0.3014","","","","","","1.089","","","","has coordinates","182633","2020-10-21","18:00:00",""
"7224787","7.0242","0.0016","8.496","0.002","9.475","0.002","66.75","0.02","81.96","0.02","71.38","0.02","492.3","0.2","296","","296","","","","","","","","","4","P -1","-P 1","2","5,6-dimethylbenzimidazole ethanol solvate","5,6-dimethylbenzimidazole ethanol solvate","","- C11 H16 N2 O -","- C11 H16 N2 O -","- C22 H32 N4 O2 -","2","1","","Zielinski, Witold; Katrusiak, Andrzej","Pressure-induced preference for solvation of 5,6-dimethylbenzimidazole","CrystEngComm","2016","18","18","3211","","10.1039/C6CE00419A","","","0.71073","MoKα","","0.141","0.0957","","","0.253","0.31","","","","","","1.119","","","","has coordinates","182633","2020-10-21","18:00:00",""
"7224788","7.0048","0.0007","8.453","0.003","9.3834","0.0012","66.49","0.02","81.84","0.009","71.705","0.018","483.6","0.2","296","","296","","","","","","","","","4","P -1","-P 1","2","5,6-dimethylbenzimidazole ethanol solvate","5,6-dimethylbenzimidazole ethanol solvate","","- C11 H16 N2 O -","- C11 H16 N2 O -","- C22 H32 N4 O2 -","2","1","","Zielinski, Witold; Katrusiak, Andrzej","Pressure-induced preference for solvation of 5,6-dimethylbenzimidazole","CrystEngComm","2016","18","18","3211","","10.1039/C6CE00419A","","x-ray","0.71073","MoKα","","0.0833","0.0571","","","0.1414","0.1608","","","","","","1.155","","","","has coordinates","182633","2020-10-21","18:00:00",""
"7224789","6.926","0.003","8.343","0.004","9.223","0.004","66.57","0.05","81.99","0.04","72.07","0.05","465.2","0.4","296","","296","","","","","","","","","4","P -1","-P 1","2","5,6-dimethylbenzimidazole ethanol solvate","5,6-dimethylbenzimidazole ethanol solvate","","- C11 H16 N2 O -","- C11 H16 N2 O -","- C22 H32 N4 O2 -","2","1","","Zielinski, Witold; Katrusiak, Andrzej","Pressure-induced preference for solvation of 5,6-dimethylbenzimidazole","CrystEngComm","2016","18","18","3211","","10.1039/C6CE00419A","","x-ray","0.56085","AgKα","","0.2012","0.1112","","","0.282","0.3637","","","","","","1.081","","","","has coordinates","182633","2020-10-21","18:00:00",""
"7224790","9.977","0.007","7.1746","0.0003","12.7576","0.0006","90","","93.545","0.013","90","","911.5","0.6","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5,6-dimethylbenzimidazole methanol solvate","5,6-dimethylbenzimidazole methanol solvate","","- C10 H14 N2 O -","- C10 H14 N2 O -","- C40 H56 N8 O4 -","4","1","","Zielinski, Witold; Katrusiak, Andrzej","Pressure-induced preference for solvation of 5,6-dimethylbenzimidazole","CrystEngComm","2016","18","18","3211","","10.1039/C6CE00419A","","x-ray","0.71073","MoKα","","0.1064","0.0501","","","0.1296","0.1788","","","","","","1.034","","","","has coordinates","182633","2020-10-21","18:00:00",""
"7224791","9.96","0.012","7.1574","0.001","12.579","0.0008","90","","93.71","0.02","90","","894.8","1.1","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5,6-dimethylbenzimidazole methanol solvate","5,6-dimethylbenzimidazole methanol solvate","","- C10 H14 N2 O -","- C10 H14 N2 O -","- C40 H56 N8 O4 -","4","1","","Zielinski, Witold; Katrusiak, Andrzej","Pressure-induced preference for solvation of 5,6-dimethylbenzimidazole","CrystEngComm","2016","18","18","3211","","10.1039/C6CE00419A","","x-ray","0.71073","MoKα","","0.1198","0.0644","","","0.1532","0.205","","","","","","1.06","","","","has coordinates,has disorder","182633","2020-10-21","18:00:00",""
"7224792","10.11","0.006","7.1","0.0007","6.6984","0.001","114.72","0.012","94.61","0.02","90.202","0.019","435","0.3","296","","296","","","","","","","","","4","P -1","-P 1","2","5,6-dimethylbenzimidazole methanol solvate","5,6-dimethylbenzimidazole methanol solvate","","- C10 H14 N2 O -","- C10 H14 N2 O -","- C20 H28 N4 O2 -","2","1","","Zielinski, Witold; Katrusiak, Andrzej","Pressure-induced preference for solvation of 5,6-dimethylbenzimidazole","CrystEngComm","2016","18","18","3211","","10.1039/C6CE00419A","","","0.71073","MoKα","","0.0834","0.0631","","","0.1619","0.1812","","","","","","1.122","","","","has coordinates","182633","2020-10-21","18:00:00",""
"7224793","10.037","0.002","7.0477","0.001","6.6292","0.001","115.381","0.014","94.711","0.014","90.103","0.014","421.88","0.13","296","","296","","","","","","","","","4","P -1","-P 1","2","5,6-dimethylbenzimidazole methanol solvate","5,6-dimethylbenzimidazole methanol solvate","","- C10 H14 N2 O -","- C10 H14 N2 O -","- C20 H28 N4 O2 -","2","1","","Zielinski, Witold; Katrusiak, Andrzej","Pressure-induced preference for solvation of 5,6-dimethylbenzimidazole","CrystEngComm","2016","18","18","3211","","10.1039/C6CE00419A","","","0.71073","MoKα","","0.0925","0.0612","","","0.1529","0.1813","","","","","","1.059","","","","has coordinates","182633","2020-10-21","18:00:00",""
"7224794","10.007","0.003","7.0202","0.0014","6.5889","0.0012","115.903","0.019","94.821","0.018","90.068","0.019","414.53","0.18","296","","296","","","","","","","","","4","P -1","-P 1","2","5,6-dimethylbenzimidazole methanol solvate","5,6-dimethylbenzimidazole methanol solvate","","- C10 H14 N2 O -","- C10 H14 N2 O -","- C20 H28 N4 O2 -","2","1","","Zielinski, Witold; Katrusiak, Andrzej","Pressure-induced preference for solvation of 5,6-dimethylbenzimidazole","CrystEngComm","2016","18","18","3211","","10.1039/C6CE00419A","","x-ray","0.71073","MoKα","","0.0896","0.0525","","","0.1324","0.1587","","","","","","1.065","","","","has coordinates","182633","2020-10-21","18:00:00",""
"7224795","10.027","0.01","7.0054","0.0013","6.5581","0.0012","116.173","0.019","94.86","0.03","90.02","0.04","411.6","0.4","296","","296","","","","","","","","","4","P -1","-P 1","2","5,6-dimethylbenzimidazole methanol solvate","5,6-dimethylbenzimidazole methanol solvate","","- C10 H14 N2 O -","- C10 H14 N2 O -","- C20 H28 N4 O2 -","2","1","","Zielinski, Witold; Katrusiak, Andrzej","Pressure-induced preference for solvation of 5,6-dimethylbenzimidazole","CrystEngComm","2016","18","18","3211","","10.1039/C6CE00419A","","","0.71073","MoKα","","0.1133","0.0757","","","0.196","0.2366","","","","","","1.126","","","","has coordinates","182633","2020-10-21","18:00:00",""
"7224796","23.245","0.003","9.9259","0.0012","17.277","0.002","90","","106.81","0.002","90","","3815.9","0.8","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H14 N4 O5 S Zn -","- C18 H14 N4 O5 S Zn -","- C144 H112 N32 O40 S8 Zn8 -","8","1","","Parshamoni, Srinivasulu; Konar, Sanjit","Selective CO2adsorption in four zinc(ii)-based metal organic frameworks constructed using a rigid N,N′-donor linker and various dicarboxylate ligands","CrystEngComm","2016","18","23","4395","","10.1039/C5CE02542G","","","0.71073","MoKα","","0.0238","0.0218","","","0.0506","0.0515","","","","","","0.986","","","","has coordinates","185279","2020-10-21","18:00:00",""
"7224797","8.7117","0.0012","11.0488","0.0016","13.293","0.0019","69.79","0.004","77.976","0.004","71.66","0.004","1132.6","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 N4 O4 Zn -","- C24 H16 N4 O4 Zn -","- C48 H32 N8 O8 Zn2 -","2","1","","Parshamoni, Srinivasulu; Konar, Sanjit","Selective CO2adsorption in four zinc(ii)-based metal organic frameworks constructed using a rigid N,N′-donor linker and various dicarboxylate ligands","CrystEngComm","2016","18","23","4395","","10.1039/C5CE02542G","","","0.71073","MoKα","","0.0595","0.0594","","","0.1421","0.1421","","","","","","0.991","","","","has coordinates","185279","2020-10-21","18:00:00",""
"7224798","24.568","0.005","10.146","0.002","17.994","0.003","90","","111.863","0.006","90","","4162.7","1.4","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H10 N5 O5 Zn -","- C22 H10 N5 O5 Zn -","- C176 H80 N40 O40 Zn8 -","8","1","","Parshamoni, Srinivasulu; Konar, Sanjit","Selective CO2adsorption in four zinc(ii)-based metal organic frameworks constructed using a rigid N,N′-donor linker and various dicarboxylate ligands","CrystEngComm","2016","18","23","4395","","10.1039/C5CE02542G","","","0.71073","MoKα","","0.0791","0.0662","","","0.1743","0.1869","","","","","","1.045","","","","has coordinates,has disorder","185279","2020-10-21","18:00:00",""
"7224799","10.6476","0.0013","19.578","0.002","15.1746","0.0017","90","","107.808","0.004","90","","3011.7","0.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H46 Cl2 N12 O20 Zn3 -","- C50 H46 Cl2 N12 O20 Zn3 -","- C100 H92 Cl4 N24 O40 Zn6 -","2","0.5","","Parshamoni, Srinivasulu; Konar, Sanjit","Selective CO2adsorption in four zinc(ii)-based metal organic frameworks constructed using a rigid N,N′-donor linker and various dicarboxylate ligands","CrystEngComm","2016","18","23","4395","","10.1039/C5CE02542G","","","0.71073","MoKα","","0.0416","0.0374","","","0.0821","0.084","","","","","","1.164","","","","has coordinates","185279","2020-10-21","18:00:00",""
"7224800","4.3542","0.0003","7.3675","0.0006","8.714","0.0006","72.481","0.007","83.722","0.006","84.917","0.006","264.52","0.04","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C8 H6 Br4 -","- C8 H6 Br4 -","- C8 H6 Br4 -","1","0.5","","Näther, Christian; Jess, Inke; Kuś, Piotr; Jones, Peter G.","Dimorphism of 1,4-dibromo-2,5-bis(bromomethyl)benzene: crystallographic and physico-chemical investigations","CrystEngComm","2016","18","17","3142","","10.1039/C6CE00438E","","","0.71073","MoKα","","0.0266","0.0217","","","0.0489","0.0511","","","","","","1.067","","","","has coordinates","182660","2020-10-21","18:00:00",""
"7224801","6.6114","0.0005","8.7776","0.0006","9.1807","0.0006","90","","104.041","0.007","90","","516.86","0.06","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 Br4 -","- C8 H6 Br4 -","- C16 H12 Br8 -","2","0.5","","Näther, Christian; Jess, Inke; Kuś, Piotr; Jones, Peter G.","Dimorphism of 1,4-dibromo-2,5-bis(bromomethyl)benzene: crystallographic and physico-chemical investigations","CrystEngComm","2016","18","17","3142","","10.1039/C6CE00438E","","","0.71073","MoKα","","0.0478","0.0247","","","0.0404","0.0416","","","","","","0.874","","","","has coordinates","288501","2023-12-22","13:20:52",""
"7224802","11.447","0.004","5.0219","0.0009","15.967","0.003","90","","91.41","0.02","90","","917.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 N4 S -","- C8 H8 N4 S -","- C32 H32 N16 S4 -","4","1","","Bermejo, Elena; Castiñeiras, Alfonso; García-Santos, Isabel; Rodríguez-Riobó, Raúl","In situ generation of functionalized 1,2,4-triazole-5-thiones containing pyridine or pyrazine moieties and their coordination to HgII","CrystEngComm","2016","18","19","3428","","10.1039/C6CE00338A","","","1.54184","CuKα","","0.0878","0.0581","","","0.1533","0.1751","","","","","","1.04","","","","has coordinates","185295","2020-10-21","18:00:00",""
"7224803","5.6677","0.0012","14.228","0.003","10.921","0.002","90","","100.939","0.004","90","","864.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H7 N5 S -","- C7 H7 N5 S -","- C28 H28 N20 S4 -","4","1","","Bermejo, Elena; Castiñeiras, Alfonso; García-Santos, Isabel; Rodríguez-Riobó, Raúl","In situ generation of functionalized 1,2,4-triazole-5-thiones containing pyridine or pyrazine moieties and their coordination to HgII","CrystEngComm","2016","18","19","3428","","10.1039/C6CE00338A","","","0.71073","MoKα","","0.053","0.0395","","","0.1045","0.1126","","","","","","1.058","","","","has coordinates","185295","2020-10-21","18:00:00",""
"7224804","21.6688","0.0014","11.3368","0.0017","8.2128","0.0005","90","","107.851","0.006","90","","1920.4","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 Hg N8 S2 -","- C16 H14 Hg N8 S2 -","- C64 H56 Hg4 N32 S8 -","4","0.5","","Bermejo, Elena; Castiñeiras, Alfonso; García-Santos, Isabel; Rodríguez-Riobó, Raúl","In situ generation of functionalized 1,2,4-triazole-5-thiones containing pyridine or pyrazine moieties and their coordination to HgII","CrystEngComm","2016","18","19","3428","","10.1039/C6CE00338A","","","0.71073","MoKα","","0.0973","0.0366","","","0.0804","0.0929","","","","","","1.018","","","","has coordinates","185295","2020-10-21","18:00:00",""
"7224805","7.7077","0.0006","16.2385","0.0014","18.9449","0.0014","80.783","0.009","86.817","0.009","86.277","0.008","2333.2","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H20 Br2 Hg N8 O S2 -","- C16 H16 Br2 Hg N8 O S2 -","- C64 H64 Br8 Hg4 N32 O4 S8 -","4","2","","Bermejo, Elena; Castiñeiras, Alfonso; García-Santos, Isabel; Rodríguez-Riobó, Raúl","In situ generation of functionalized 1,2,4-triazole-5-thiones containing pyridine or pyrazine moieties and their coordination to HgII","CrystEngComm","2016","18","19","3428","","10.1039/C6CE00338A","","","0.71073","MoKα","","0.2689","0.0675","","","0.1742","0.2457","","","","","","0.962","","","","has coordinates","185295","2020-10-21","18:00:00",""
"7224806","9.726","0.002","10.608","0.002","12.611","0.003","104.613","0.004","109.647","0.004","95.734","0.004","1161.1","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H38 Cl4 Hg3 N16 S4 -","- C36 H38 Cl4 Hg3 N16 S4 -","- C36 H38 Cl4 Hg3 N16 S4 -","1","0.5","","Bermejo, Elena; Castiñeiras, Alfonso; García-Santos, Isabel; Rodríguez-Riobó, Raúl","In situ generation of functionalized 1,2,4-triazole-5-thiones containing pyridine or pyrazine moieties and their coordination to HgII","CrystEngComm","2016","18","19","3428","","10.1039/C6CE00338A","","","0.71073","MoKα","","0.0439","0.0291","","","0.0614","0.0665","","","","","","0.978","","","","has coordinates","185295","2020-10-21","18:00:00",""
"7224807","13.282","0.002","18.98","0.004","8.27","0.003","90","","90.328","0.008","90","","2084.8","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 Hg N8 S2 -","- C18 H18 Hg N8 S2 -","- C72 H72 Hg4 N32 S8 -","4","0.5","","Bermejo, Elena; Castiñeiras, Alfonso; García-Santos, Isabel; Rodríguez-Riobó, Raúl","In situ generation of functionalized 1,2,4-triazole-5-thiones containing pyridine or pyrazine moieties and their coordination to HgII","CrystEngComm","2016","18","19","3428","","10.1039/C6CE00338A","","","0.71073","MoKα","","0.2068","0.0534","","","0.1015","0.1321","","","","","","0.945","","","","has coordinates","185295","2020-10-21","18:00:00",""
"7224808","7.1597","0.0002","6.3074","0.0002","38.1938","0.001","90","","90","","90","","1724.8","0.09","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H12 Hg N10 S2 -","- C14 H12 Hg N10 S2 -","- C56 H48 Hg4 N40 S8 -","4","1","","Bermejo, Elena; Castiñeiras, Alfonso; García-Santos, Isabel; Rodríguez-Riobó, Raúl","In situ generation of functionalized 1,2,4-triazole-5-thiones containing pyridine or pyrazine moieties and their coordination to HgII","CrystEngComm","2016","18","19","3428","","10.1039/C6CE00338A","","","0.71073","MoKα","","0.0302","0.0274","","","0.054","0.0547","","","","","","1.2","","","","has coordinates","185295","2020-10-21","18:00:00",""
"7224809","14.646","0.016","10.045","0.011","15.852","0.017","90","","116.057","0.016","90","","2095","4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 Hg N10 S2 -","- C16 H16 Hg N10 S2 -","- C64 H64 Hg4 N40 S8 -","4","1","","Bermejo, Elena; Castiñeiras, Alfonso; García-Santos, Isabel; Rodríguez-Riobó, Raúl","In situ generation of functionalized 1,2,4-triazole-5-thiones containing pyridine or pyrazine moieties and their coordination to HgII","CrystEngComm","2016","18","19","3428","","10.1039/C6CE00338A","","","0.71073","MoKα","","0.0529","0.0306","","","0.0597","0.0651","","","","","","1.055","","","","has coordinates","185295","2020-10-21","18:00:00",""
"7224810","29.9017","0.0019","29.9017","0.0019","96.281","0.006","90","","90","","120","","74553","8","100","","100","2","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- C35.54 H40.21 O10.3 -","- C35.519 H40.1572 O10.2964 -","- C2557.37 H2891.32 O741.342 -","72","4","","Oliver, Clive L.; Báthori, Nikoletta B.; Jackson, Graham E.; Kuter, David; Cruickshank, Dyanne L.","Solid-state isolation of a unique, small-molecule, supra-heterodimer of large hexameric assemblies of C-methylcalix[4]resorcinarene","CrystEngComm","2016","18","17","3015","","10.1039/C6CE00698A","","","0.71073","MoKα","","0.0846","0.0577","","","0.1501","0.1653","","","","","","1.038","","","","has coordinates,has disorder","203909","2020-10-21","18:00:00",""
"7224841","11.18176","0.00015","15.2528","0.0002","19.3375","0.0003","90","","90.2091","0.0012","90","","3298.05","0.08","150","","150","","","","","","","","synthesized","5","P 1 c 1","P -2yc","7","","[HHTP.TBA.Cl]n","","- C68 H96 Cl2 N2 O12 -","- C68 H96 Cl2 N2 O12 -","- C136 H192 Cl4 N4 O24 -","2","1","","Morshedi, Mahbod; Willis, Anthony C.; White, Nicholas G.","Anion-templated 2D frameworks from hexahydroxytriphenylene","CrystEngComm","2016","18","23","4281","","10.1039/C6CE00297H","","","1.54184","CuKα","","0.0416","0.0403","","0.1067","0.1055","0.1067","","","","","","0.9297","","","","has coordinates,has disorder","185277","2020-10-21","18:00:00",""
"7224842","21.6122","0.0005","16.4917","0.0003","21.8385","0.0005","90","","117.021","0.003","90","","6934","0.3","150","","150","","","","","","","","synthesized","5","P 1 21/c 1","-P 2ybc","14","","[HHTP.TBA.I]n","","- C68 H97 I2 N2 O12.5 -","- C68 H97 I2 N2 O12.5 -","- C272 H388 I8 N8 O50 -","4","1","","Morshedi, Mahbod; Willis, Anthony C.; White, Nicholas G.","Anion-templated 2D frameworks from hexahydroxytriphenylene","CrystEngComm","2016","18","23","4281","","10.1039/C6CE00297H","","","0.71073","MoKα","","0.0542","0.0412","","0.0902","0.0825","0.0902","","","","","","0.9705","","","","has coordinates,has disorder","185277","2020-10-21","18:00:00",""
"7224843","12.7893","0.0003","16.0254","0.0004","17.4075","0.0004","90","","93.462","0.002","90","","3561.22","0.15","150","","150","","","","","","","","synthesized","5","P 1 21/n 1","-P 2yn","14","","[HHTP.TBA.H2PO4]n","","- C35 H54 N O11 P -","- C35 H54 N O11 P -","- C140 H216 N4 O44 P4 -","4","1","","Morshedi, Mahbod; Willis, Anthony C.; White, Nicholas G.","Anion-templated 2D frameworks from hexahydroxytriphenylene","CrystEngComm","2016","18","23","4281","","10.1039/C6CE00297H","","","0.71073","MoKα","","0.0692","0.0489","","0.1219","0.1056","0.1219","","","","","","0.9473","","","","has coordinates,has disorder","185277","2020-10-21","18:00:00",""
"7224844","13.0411","0.0002","16.2078","0.0003","16.6185","0.0002","90","","90.0656","0.0014","90","","3512.61","0.09","150","","150","","","","","","","","synthesized","4","P 1 21/n 1","-P 2yn","14","","[HHTP.TBA.OAc]n","","- C37 H55 N O9 -","- C37 H55 N O9 -","- C148 H220 N4 O36 -","4","1","","Morshedi, Mahbod; Willis, Anthony C.; White, Nicholas G.","Anion-templated 2D frameworks from hexahydroxytriphenylene","CrystEngComm","2016","18","23","4281","","10.1039/C6CE00297H","","","1.54184","CuKα","","0.0817","0.0771","","0.2184","0.2146","0.2184","","","","","","0.9951","","","","has coordinates,has disorder","185277","2020-10-21","18:00:00",""
"7224845","20.01455","0.00017","15.41266","0.00017","22.3318","0.00014","90","","90.0507","0.0007","90","","6888.85","0.11","150","","150","","","","","","","","synthesized","5","P 1 21/c 1","-P 2ybc","14","","[HHTP.TBA.MeOSO3]n","","- C70 H102 N2 O20 S2 -","- C70 H102 N2 O20 S2 -","- C280 H408 N8 O80 S8 -","4","1","","Morshedi, Mahbod; Willis, Anthony C.; White, Nicholas G.","Anion-templated 2D frameworks from hexahydroxytriphenylene","CrystEngComm","2016","18","23","4281","","10.1039/C6CE00297H","","","1.54184","CuKα","","0.0491","0.0469","","0.1294","0.1266","0.1294","","","","","","0.968","","","","has coordinates,has disorder","185277","2020-10-21","18:00:00",""
"7224846","11.298","0.0002","15.7065","0.0004","17.8505","0.0004","90","","90.914","0.002","90","","3167.2","0.12","150","","150","","","","","","","","syntheszied","5","P 1 21/n 1","-P 2yn","14","","[HHTP.TEA.Cl]n","","- C30 H42 Cl N O7 -","- C30 H42 Cl N O7 -","- C120 H168 Cl4 N4 O28 -","4","1","","Morshedi, Mahbod; Willis, Anthony C.; White, Nicholas G.","Anion-templated 2D frameworks from hexahydroxytriphenylene","CrystEngComm","2016","18","23","4281","","10.1039/C6CE00297H","","","0.71073","MoKα","","0.1109","0.0951","","0.2305","0.2252","0.2305","","","","","","0.9826","","","","has coordinates,has disorder","185277","2020-10-21","18:00:00",""
"7224847","24.271","0.002","14.1584","0.0014","9.641","0.0009","90","","98.97","0.009","90","","3272.5","0.5","180.01","0.1","180.01","0.1","","","","","","","none","6","C 1 2 1","C 2y","5","CuI(ph-dppb)2","","","- C73 H58 Cl2 Cu2 I2 P4 -","- C73 H58 Cl2 Cu2 I2 P4 -","- C146 H116 Cl4 Cu4 I4 P8 -","2","0.5","","Li, Xiaoyue; Zhang, Juanye; Wei, Feng; Liu, Xiaochen; Liu, Zhiwei; Bian, Zuqiang; Huang, Chunhui","A series of dinuclear cuprous iodide complexes chelated with 1,2-bis(diphenylphosphino)benzene derivatives: structural, photophysical and thermal properties","CrystEngComm","2016","18","23","4388","","10.1039/C5CE02533H","","","0.71073","MoKα","","0.0828","0.0558","","","0.1079","0.1248","","","","","","1.034","","","","has coordinates","185278","2020-10-21","18:00:00",""
"7224848","19.5414","0.0011","14.573","0.0006","26.9535","0.0014","90","","113.268","0.007","90","","7051.4","0.7","180.01","0.1","180.01","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","[Cu(μ-I)OMe-dppb]2","4,5-dimethoxyl-1,2-bis(diphenylphosphino) benzene","","- C67 H62 Cl6 Cu2 I2 O4 P4 -","- C67 H62 Cl6 Cu2 I2 O4 P4 -","- C268 H248 Cl24 Cu8 I8 O16 P16 -","4","0.5","","Li, Xiaoyue; Zhang, Juanye; Wei, Feng; Liu, Xiaochen; Liu, Zhiwei; Bian, Zuqiang; Huang, Chunhui","A series of dinuclear cuprous iodide complexes chelated with 1,2-bis(diphenylphosphino)benzene derivatives: structural, photophysical and thermal properties","CrystEngComm","2016","18","23","4388","","10.1039/C5CE02533H","","","0.71073","MoKα","","0.0681","0.0429","","","0.09","0.1039","","","","","","1.023","","","","has coordinates","185278","2020-10-21","18:00:00",""
"7224849","13.6302","0.0006","13.8186","0.0005","18.0831","0.0007","110.055","0.003","104.744","0.003","97.913","0.003","2997.7","0.2","100.1","0.2","100.1","0.2","","","","","","","","6","P -1","-P 1","2","[Cu(μ-I)Pr-dppb]2","4-pyrrolyl-1,2-bis(diphenylphosphino)benzene copper(I) iodine","","- C68 H54 Cu2 I2 N2 P4 -","- C68 H54 Cu2 I2 N2 P4 -","- C136 H108 Cu4 I4 N4 P8 -","2","1","","Li, Xiaoyue; Zhang, Juanye; Wei, Feng; Liu, Xiaochen; Liu, Zhiwei; Bian, Zuqiang; Huang, Chunhui","A series of dinuclear cuprous iodide complexes chelated with 1,2-bis(diphenylphosphino)benzene derivatives: structural, photophysical and thermal properties","CrystEngComm","2016","18","23","4388","","10.1039/C5CE02533H","","","0.71073","MoKα","","0.0598","0.0367","","","0.0655","0.0786","","","","","","1.0742","","","","has coordinates","185278","2020-10-21","18:00:00",""
"7224863","10.7414","0.0006","11.2551","0.0006","16.1946","0.0008","84.01","0.003","77.531","0.003","69.651","0.003","1791.45","0.17","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H38 N4 O6 -","- C46 H38 N4 O6 -","- C92 H76 N8 O12 -","2","1","","Roy, Sandipan; Titi, Hatem M.; Goldberg, Israel","Supramolecular organic frameworks (SOFs) of tetrakis(4-hydroxyphenyl)porphyrin with efficient guest inclusion","CrystEngComm","2016","18","19","3372","","10.1039/C6CE00518G","","","0.71073","MoKα","","0.0686","0.0523","","","0.1322","0.1431","","","","","","1.019","","","","has coordinates","185293","2020-10-21","18:00:00",""
"7224864","13.8522","0.0015","15.6089","0.0016","15.8464","0.0015","65.532","0.003","83.496","0.003","89.872","0.003","3094.7","0.6","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C92 H60 N4 O4 -","- C92 H60 N4 O4 -","- C184 H120 N8 O8 -","2","1","","Roy, Sandipan; Titi, Hatem M.; Goldberg, Israel","Supramolecular organic frameworks (SOFs) of tetrakis(4-hydroxyphenyl)porphyrin with efficient guest inclusion","CrystEngComm","2016","18","19","3372","","10.1039/C6CE00518G","","","0.71073","MoKα","","0.0874","0.0604","","","0.1476","0.1637","","","","","","1.017","","","","has coordinates","185293","2020-10-21","18:00:00",""
"7224865","13.5292","0.0005","20.5192","0.0006","11.5369","0.0004","90","","107.657","0.001","90","","3051.86","0.18","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H30 N3 O2 -","- C43 H30 N3 O2 -","- C172 H120 N12 O8 -","4","1","","Roy, Sandipan; Titi, Hatem M.; Goldberg, Israel","Supramolecular organic frameworks (SOFs) of tetrakis(4-hydroxyphenyl)porphyrin with efficient guest inclusion","CrystEngComm","2016","18","19","3372","","10.1039/C6CE00518G","","","0.71073","MoKα","","0.0548","0.0429","","","0.1073","0.1148","","","","","","1.044","","","","has coordinates","185293","2020-10-21","18:00:00",""
"7224866","11.44","0.0007","20.592","0.0012","14.745","0.0009","90","","110.377","0.003","90","","3256.1","0.3","110","2","110","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C94 H64 N6 O4 -","- C94 H64 N6 O4 -","- C188 H128 N12 O8 -","2","0.25","","Roy, Sandipan; Titi, Hatem M.; Goldberg, Israel","Supramolecular organic frameworks (SOFs) of tetrakis(4-hydroxyphenyl)porphyrin with efficient guest inclusion","CrystEngComm","2016","18","19","3372","","10.1039/C6CE00518G","","","0.71073","MoKα","","0.0657","0.0481","","","0.1204","0.1333","","","","","","1.032","","","","has coordinates","185293","2020-10-21","18:00:00",""
"7224867","16.1034","0.0006","23.3602","0.0009","15.3638","0.0005","90","","113.178","0.002","90","","5313","0.3","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C66.7 H54.8 N6 O6.7 -","- C65 H48 N6 O5 -","- C260 H192 N24 O20 -","4","1","","Roy, Sandipan; Titi, Hatem M.; Goldberg, Israel","Supramolecular organic frameworks (SOFs) of tetrakis(4-hydroxyphenyl)porphyrin with efficient guest inclusion","CrystEngComm","2016","18","19","3372","","10.1039/C6CE00518G","","","0.71073","MoKα","","0.0947","0.0613","","","0.1582","0.1785","","","","","","1.015","","","","has coordinates","185293","2020-10-21","18:00:00",""
"7224868","32.937","0.004","6.2835","0.0005","29.547","0.003","90","","119.674","0.004","90","","5313.1","1","110","2","110","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C61.5 H62 N6 O9.5 -","- C56 H40 N6 O4 -","- C224 H160 N24 O16 -","4","0.5","","Roy, Sandipan; Titi, Hatem M.; Goldberg, Israel","Supramolecular organic frameworks (SOFs) of tetrakis(4-hydroxyphenyl)porphyrin with efficient guest inclusion","CrystEngComm","2016","18","19","3372","","10.1039/C6CE00518G","","","0.71073","MoKα","","0.1047","0.0645","","","0.1667","0.1813","","","","","","0.965","","","","has coordinates","185293","2020-10-21","18:00:00",""
"7224869","6.0722","0.0005","15.4167","0.0016","16.9383","0.0018","88.096","0.004","86.696","0.004","85.177","0.004","1576.8","0.3","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C82 H62 N10 O6 -","- C82 H62 N10 O6 -","- C82 H62 N10 O6 -","1","0.5","","Roy, Sandipan; Titi, Hatem M.; Goldberg, Israel","Supramolecular organic frameworks (SOFs) of tetrakis(4-hydroxyphenyl)porphyrin with efficient guest inclusion","CrystEngComm","2016","18","19","3372","","10.1039/C6CE00518G","","","0.71073","MoKα","","0.0564","0.043","","","0.1042","0.1126","","","","","","1.028","","","","has coordinates","185293","2020-10-21","18:00:00",""
"7224870","11.5191","0.0006","8.0183","0.0005","12.9595","0.0008","90","","100.259","0.003","90","","1177.85","0.12","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H13 Ce O7 -","- C9 H11 Ce O7 -","- C36 H44 Ce4 O28 -","4","1","","Russell, Samantha E.; Gosset, Cyrille; Agache, Xavier; Volkringer, Christophe; Henry, Natacha; Decadt, Roel; Van Deun, Rik; Visseaux, Marc; Loiseau, Thierry","A new series of trivalent lanthanide (Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy) coordination polymers with a 1,2-cyclohexanedicarboxylate ligand: synthesis, crystal structure, luminescence and catalytic properties","CrystEngComm","2016","18","20","3594","","10.1039/C6CE00101G","","x-ray","0.71073","MoKα","","0.0484","0.0371","","","0.0453","0.0465","","","","1.3","1.3","1.24","","","","has coordinates","185235","2020-10-21","18:00:00",""
"7224871","11.5115","0.0003","7.9773","0.0002","13.0081","0.0003","90","","100.209","0.001","90","","1175.63","0.05","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H13 O7 Pr -","- C9 H11 O7 Pr -","- C36 H44 O28 Pr4 -","4","1","","Russell, Samantha E.; Gosset, Cyrille; Agache, Xavier; Volkringer, Christophe; Henry, Natacha; Decadt, Roel; Van Deun, Rik; Visseaux, Marc; Loiseau, Thierry","A new series of trivalent lanthanide (Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy) coordination polymers with a 1,2-cyclohexanedicarboxylate ligand: synthesis, crystal structure, luminescence and catalytic properties","CrystEngComm","2016","18","20","3594","","10.1039/C6CE00101G","","x-ray","0.71073","MoKα","","0.0728","0.0438","","","0.0514","0.0529","","","","2.37","2.37","2.02","","","","has coordinates","185235","2020-10-21","18:00:00",""
"7224872","11.4812","0.0002","7.9164","0.0001","12.9995","0.0003","90","","100.355","0.002","90","","1162.28","0.04","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H13 Nd O7 -","- C9 H11 Nd O7 -","- C36 H44 Nd4 O28 -","4","1","","Russell, Samantha E.; Gosset, Cyrille; Agache, Xavier; Volkringer, Christophe; Henry, Natacha; Decadt, Roel; Van Deun, Rik; Visseaux, Marc; Loiseau, Thierry","A new series of trivalent lanthanide (Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy) coordination polymers with a 1,2-cyclohexanedicarboxylate ligand: synthesis, crystal structure, luminescence and catalytic properties","CrystEngComm","2016","18","20","3594","","10.1039/C6CE00101G","","x-ray","0.71073","MoKα","","0.0826","0.0541","","","0.0621","0.0679","","","","1.19","1.19","1.1","","","","has coordinates","185235","2020-10-21","18:00:00",""
"7224873","11.4339","0.0001","7.8472","0.0001","13.0074","0.0002","90","","100.188","0.0006","90","","1148.67","0.03","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H13 O7 Sm -","- C9 H11 O7 Sm -","- C36 H44 O28 Sm4 -","4","1","","Russell, Samantha E.; Gosset, Cyrille; Agache, Xavier; Volkringer, Christophe; Henry, Natacha; Decadt, Roel; Van Deun, Rik; Visseaux, Marc; Loiseau, Thierry","A new series of trivalent lanthanide (Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy) coordination polymers with a 1,2-cyclohexanedicarboxylate ligand: synthesis, crystal structure, luminescence and catalytic properties","CrystEngComm","2016","18","20","3594","","10.1039/C6CE00101G","","x-ray","0.71073","MoKα","","0.0309","0.0198","","","0.024","0.0315","","","","1.29","1.29","1.52","","","","has coordinates","185235","2020-10-21","18:00:00",""
"7224874","11.4283","0.0006","7.8226","0.0004","13.0064","0.0006","90","","100.148","0.002","90","","1144.57","0.1","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H13 Eu O7 -","- C9 H11 Eu O7 -","- C36 H44 Eu4 O28 -","4","1","","Russell, Samantha E.; Gosset, Cyrille; Agache, Xavier; Volkringer, Christophe; Henry, Natacha; Decadt, Roel; Van Deun, Rik; Visseaux, Marc; Loiseau, Thierry","A new series of trivalent lanthanide (Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy) coordination polymers with a 1,2-cyclohexanedicarboxylate ligand: synthesis, crystal structure, luminescence and catalytic properties","CrystEngComm","2016","18","20","3594","","10.1039/C6CE00101G","","x-ray","0.71073","MoKα","","0.0719","0.0418","","","0.0431","0.0448","","","","2.41","2.41","2.08","","","","has coordinates","185235","2020-10-21","18:00:00",""
"7224875","11.3797","0.0006","7.7495","0.0004","12.9729","0.0006","90","","99.988","0.002","90","","1126.7","0.1","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H13 O7 Tb -","- C9 H11 O7 Tb -","- C36 H44 O28 Tb4 -","4","1","","Russell, Samantha E.; Gosset, Cyrille; Agache, Xavier; Volkringer, Christophe; Henry, Natacha; Decadt, Roel; Van Deun, Rik; Visseaux, Marc; Loiseau, Thierry","A new series of trivalent lanthanide (Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy) coordination polymers with a 1,2-cyclohexanedicarboxylate ligand: synthesis, crystal structure, luminescence and catalytic properties","CrystEngComm","2016","18","20","3594","","10.1039/C6CE00101G","","x-ray","0.71073","MoKα","","0.0297","0.0208","","","0.0249","0.0259","","","","1.4","1.4","1.3","","","","has coordinates","185235","2020-10-21","18:00:00",""
"7224876","11.407","0.003","7.7149","0.0016","12.942","0.003","90","","99.966","0.01","90","","1121.8","0.5","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H13 Dy O7 -","- C9 H11 Dy O7 -","- C36 H44 Dy4 O28 -","4","1","","Russell, Samantha E.; Gosset, Cyrille; Agache, Xavier; Volkringer, Christophe; Henry, Natacha; Decadt, Roel; Van Deun, Rik; Visseaux, Marc; Loiseau, Thierry","A new series of trivalent lanthanide (Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy) coordination polymers with a 1,2-cyclohexanedicarboxylate ligand: synthesis, crystal structure, luminescence and catalytic properties","CrystEngComm","2016","18","20","3594","","10.1039/C6CE00101G","","x-ray","0.71073","MoKα","","0.0434","0.0305","","","0.0347","0.0364","","","","1.15","1.15","1.09","","","","has coordinates","185235","2020-10-21","18:00:00",""
"7224895","7.4418","0.0005","10.0193","0.0009","12.2838","0.001","90.054","0.005","99.653","0.005","104","0.004","875.29","0.12","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N2 O7 U -","- C16 H18 N2 O7 U -","- C32 H36 N4 O14 U2 -","2","1","","Thuéry, Pierre; Harrowfield, Jack","Anchoring flexible uranyl dicarboxylate chains through stacking interactions of ancillary ligands on chiral U(vi) centres","CrystEngComm","2016","18","21","3905","","10.1039/C6CE00603E","","","0.71073","MoKα","","0.0277","0.0217","","","0.0414","0.0424","","","","","","1.02","","","","has coordinates","185241","2020-10-21","18:00:00",""
"7224896","7.4929","0.0006","11.4014","0.0006","21.3247","0.0018","90","","90","","90","","1821.8","0.2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 N2 O6 U -","- C19 H18 N2 O6 U -","- C76 H72 N8 O24 U4 -","4","1","","Thuéry, Pierre; Harrowfield, Jack","Anchoring flexible uranyl dicarboxylate chains through stacking interactions of ancillary ligands on chiral U(vi) centres","CrystEngComm","2016","18","21","3905","","10.1039/C6CE00603E","","","0.71073","MoKα","","0.0326","0.0297","","","0.0845","0.0857","","","","","","1.086","","","","has coordinates","185241","2020-10-21","18:00:00",""
"7224897","6.8419","0.0003","14.9035","0.001","18.3664","0.0012","90","","97.677","0.004","90","","1856","0.19","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 N2 O6 U -","- C18 H20 N2 O6 U -","- C72 H80 N8 O24 U4 -","4","1","","Thuéry, Pierre; Harrowfield, Jack","Anchoring flexible uranyl dicarboxylate chains through stacking interactions of ancillary ligands on chiral U(vi) centres","CrystEngComm","2016","18","21","3905","","10.1039/C6CE00603E","","","0.71073","MoKα","","0.0377","0.0294","","","0.0709","0.0731","","","","","","1.128","","","","has coordinates","185241","2020-10-21","18:00:00",""
"7224898","8.9926","0.0005","10.1782","0.0006","12.334","0.0008","74.294","0.003","69.809","0.004","75.184","0.004","1003.39","0.11","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H22 N2 O6 U -","- C21 H22 N2 O6 U -","- C42 H44 N4 O12 U2 -","2","1","","Thuéry, Pierre; Harrowfield, Jack","Anchoring flexible uranyl dicarboxylate chains through stacking interactions of ancillary ligands on chiral U(vi) centres","CrystEngComm","2016","18","21","3905","","10.1039/C6CE00603E","","","0.71073","MoKα","","0.0309","0.0243","","","0.0549","0.0563","","","","","","1.001","","","","has coordinates","185241","2020-10-21","18:00:00",""
"7224899","9.2082","0.0006","13.2399","0.0012","18.1132","0.0014","73.667","0.004","78.133","0.004","83.081","0.005","2069.3","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H22 N2 O6 U -","- C21 H22 N2 O6 U -","- C84 H88 N8 O24 U4 -","4","2","","Thuéry, Pierre; Harrowfield, Jack","Anchoring flexible uranyl dicarboxylate chains through stacking interactions of ancillary ligands on chiral U(vi) centres","CrystEngComm","2016","18","21","3905","","10.1039/C6CE00603E","","","0.71073","MoKα","","0.0672","0.0418","","","0.0914","0.0982","","","","","","1.044","","","","has coordinates,has disorder","185241","2020-10-21","18:00:00",""
"7224900","9.1158","0.0004","19.5111","0.0011","19.6788","0.0008","103.432","0.004","92.911","0.003","94.315","0.004","3386.2","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H32 N4 O11 U2 -","- C33 H30 N4 O11 U2 -","- C132 H120 N16 O44 U8 -","4","2","","Thuéry, Pierre; Harrowfield, Jack","Anchoring flexible uranyl dicarboxylate chains through stacking interactions of ancillary ligands on chiral U(vi) centres","CrystEngComm","2016","18","21","3905","","10.1039/C6CE00603E","","","0.71073","MoKα","","0.0705","0.0383","","","0.0583","0.0644","","","","","","0.936","","","","has coordinates","185241","2020-10-21","18:00:00",""
"7224901","7.7422","0.0004","16.7494","0.0007","18.1092","0.0008","90","","97.207","0.003","90","","2329.8","0.19","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H30 N2 O6 U -","- C23 H30 N2 O6 U -","- C92 H120 N8 O24 U4 -","4","1","","Thuéry, Pierre; Harrowfield, Jack","Anchoring flexible uranyl dicarboxylate chains through stacking interactions of ancillary ligands on chiral U(vi) centres","CrystEngComm","2016","18","21","3905","","10.1039/C6CE00603E","","","0.71073","MoKα","","0.0429","0.0344","","","0.0914","0.0955","","","","","","1.038","","","","has coordinates,has disorder","185241","2020-10-21","18:00:00",""
"7224902","8.0731","0.0004","17.3445","0.0006","17.4005","0.0007","90","","92.994","0.003","90","","2433.16","0.18","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H30 N2 O6 U -","- C25 H30 N2 O6 U -","- C100 H120 N8 O24 U4 -","4","1","","Thuéry, Pierre; Harrowfield, Jack","Anchoring flexible uranyl dicarboxylate chains through stacking interactions of ancillary ligands on chiral U(vi) centres","CrystEngComm","2016","18","21","3905","","10.1039/C6CE00603E","","","0.71073","MoKα","","0.0767","0.0628","","","0.1733","0.1822","","","","","","1.059","","","","has coordinates,has disorder","185241","2020-10-21","18:00:00",""
"7224903","11.786","0.002","11.786","","29.019","0.006","90","","90","","90","","4031","1.1","298","2","298","2","","","","","","","","6","P 4/m n c","-P 4 2n","128","","","","- C56 H78 Cl12 N28 Ni8 O6 -","- C56 H78 Cl12 N28 Ni8 O6 -","- C112 H156 Cl24 N56 Ni16 O12 -","2","0.125","","Wang, Zhi; Jagličić, Zvonko; Han, Lu-Lu; Zhuang, Gui-Lin; Luo, Geng-Geng; Zeng, Su-Yuan; Tung, Chen-Ho; Sun, Di","Octanuclear Ni(ii) cubes based on halogen-substituted pyrazolates: synthesis, structure, electrochemistry and magnetism","CrystEngComm","2016","18","19","3462","","10.1039/C6CE00528D","","","0.71073","MoKα","","0.0486","0.0354","","","0.0852","0.093","","","","","","1.034","","","","has coordinates","185292","2020-10-21","18:00:00",""
"7224904","21.043","0.006","22.205","0.007","17.844","0.005","90","","90","","90","","8338","4","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C48 H62 Br12 N26 Ni8 O6 -","- C48 H62 Br12 N26 Ni8 O6 -","- C192 H248 Br48 N104 Ni32 O24 -","4","0.5","","Wang, Zhi; Jagličić, Zvonko; Han, Lu-Lu; Zhuang, Gui-Lin; Luo, Geng-Geng; Zeng, Su-Yuan; Tung, Chen-Ho; Sun, Di","Octanuclear Ni(ii) cubes based on halogen-substituted pyrazolates: synthesis, structure, electrochemistry and magnetism","CrystEngComm","2016","18","19","3462","","10.1039/C6CE00528D","","","0.71073","MoKα","","0.173","0.0898","","","0.2218","0.2527","","","","","","1.017","","","","has coordinates","185292","2020-10-21","18:00:00",""
"7224905","11.998","0.007","26.923","0.016","19.114","0.009","90","","116.81","0.03","90","","5511","5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 I12 N24 Ni8 O6 -","- C36 H30 I12 N24 Ni8 O6 -","- C72 H60 I24 N48 Ni16 O12 -","2","0.5","","Wang, Zhi; Jagličić, Zvonko; Han, Lu-Lu; Zhuang, Gui-Lin; Luo, Geng-Geng; Zeng, Su-Yuan; Tung, Chen-Ho; Sun, Di","Octanuclear Ni(ii) cubes based on halogen-substituted pyrazolates: synthesis, structure, electrochemistry and magnetism","CrystEngComm","2016","18","19","3462","","10.1039/C6CE00528D","","","0.71","MoKα","","0.1724","0.0997","","","0.2155","0.2408","","","","","","0.71","","","","has coordinates","185292","2020-10-21","18:00:00",""
"7224906","10.2928","0.0013","20.805","0.003","21.558","0.003","90","","90","","90","","4616.5","1.1","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H17 Eu N2 O8 -","- C27 H17 Eu N2 O8 -","- C216 H136 Eu8 N16 O64 -","8","1","","Zhang, Huijie; Fan, Ruiqing; Dong, Yuwei; Chen, Wei; Du, Xi; Wang, Ping; Yang, Yulin","Assembly of one-, two-, and three-dimensional Ln(iii) complexes constructed from a novel asymmetric tricarboxylic acid: synthesis, structure, photoluminescence and tunable white-light emission","CrystEngComm","2016","18","20","3711","","10.1039/C6CE00483K","","","0.71073","MoKα","","0.2005","0.0707","","","0.1571","0.2331","","","","","","1.043","","","","has coordinates","185233","2020-10-21","18:00:00",""
"7224907","12.6658","0.0006","15.8879","0.0007","22.143","0.001","89.449","0.004","93.013","0.004","107.919","0.004","4233.8","0.3","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C57 H77 Cl3 N34 O35 -","- C57 H77 Cl3 N34 O34.869 -","- C114 H154 Cl6 N68 O69.738 -","2","1","","Danylyuk, Oksana; Butkiewicz, Helena; Sashuk, Volodymyr","Host‒guest complexes of cucurbit[6]uril with the trypanocide drug diminazene and its degradation product 4-aminobenzamidine","CrystEngComm","2016","18","26","4905","","10.1039/C6CE00257A","","","1.54184","CuKα","","0.1208","0.1052","","","0.2891","0.3125","","","","","","1.192","","","","has coordinates,has disorder","185200","2020-10-21","18:00:00",""
"7224908","12.528","0.0014","15.3546","0.0012","17.2965","0.0016","107.352","0.008","100.18","0.009","95.791","0.008","3083.7","0.5","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C43 H70 Cl3 Mg N27 O27 -","- C43 H70 Cl3 Mg N27 O27 -","- C86 H140 Cl6 Mg2 N54 O54 -","2","1","","Danylyuk, Oksana; Butkiewicz, Helena; Sashuk, Volodymyr","Host‒guest complexes of cucurbit[6]uril with the trypanocide drug diminazene and its degradation product 4-aminobenzamidine","CrystEngComm","2016","18","26","4905","","10.1039/C6CE00257A","","","1.54184","CuKα","","0.1056","0.0805","","","0.2113","0.2382","","","","","","0.92","","","","has coordinates","185200","2020-10-21","18:00:00",""
"7224909","15.8539","0.0003","19.7194","0.0003","26.8892","0.0005","98.389","0.002","94.251","0.002","109.497","0.002","7771.3","0.3","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C86 H92 Ca2 Cl5.5 N54 O77 -","- C86 H92 Ca2 Cl5.5 N54 O76.99 -","- C172 H184 Ca4 Cl11 N108 O153.98 -","2","1","","Danylyuk, Oksana; Butkiewicz, Helena; Sashuk, Volodymyr","Host‒guest complexes of cucurbit[6]uril with the trypanocide drug diminazene and its degradation product 4-aminobenzamidine","CrystEngComm","2016","18","26","4905","","10.1039/C6CE00257A","","","1.54184","CuKα","","0.1141","0.1021","","","0.2879","0.301","","","","","","1.12","","","","has coordinates,has disorder","185200","2020-10-21","18:00:00",""
"7224910","15.6491","0.001","20.9747","0.0018","35.1781","0.001","100.397","0.005","99.817","0.004","103.379","0.006","10773.6","1.3","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C128 H140 Cl2 N76 O80 -","- C128 H140 Cl2 N76 O80.069 -","- C256 H280 Cl4 N152 O160.138 -","2","1","","Danylyuk, Oksana; Butkiewicz, Helena; Sashuk, Volodymyr","Host‒guest complexes of cucurbit[6]uril with the trypanocide drug diminazene and its degradation product 4-aminobenzamidine","CrystEngComm","2016","18","26","4905","","10.1039/C6CE00257A","","","1.54184","CuKα","","0.2609","0.1567","","","0.3754","0.4392","","","","","","1.114","","","","has coordinates,has disorder","185200","2020-10-21","18:00:00",""
"7224922","23.22","0.001","24.47","0.02","32.46","0.001","90","","90","","90","","18444","15","100","2","100","2","","","","","","","","5","P c a n","-P 2n 2c","60","","","","- C89.9 H138.6 F6.6 N2 O9.2 -","- C89.9 H138.6 F6.6 N2 O9.2 -","- C719.2 H1108.8 F52.8 N16 O73.6 -","8","1","","Brancatelli, Giovanna; Gattuso, Giuseppe; Geremia, Silvano; Manganaro, Nadia; Notti, Anna; Pappalardo, Sebastiano; Parisi, Melchiorre F.; Pisagatti, Ilenia","Encapsulation of biogenic polyamines by carboxylcalix[5]arenes: when solid-state design beats recognition in solution","CrystEngComm","2016","18","26","5012","","10.1039/C6CE00468G","","","0.7","","","0.1831","0.1298","","","0.3666","0.4113","","","","","","1.437","","","","has coordinates,has disorder","185196","2020-10-21","18:00:00",""
"7224923","23.45","0.01","23.02","0.01","32.88","0.02","90","","90","","90","","17749","15","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C86 H133 N2 O7 -","- C86 H133 N2 O7 -","- C688 H1064 N16 O56 -","8","1","","Brancatelli, Giovanna; Gattuso, Giuseppe; Geremia, Silvano; Manganaro, Nadia; Notti, Anna; Pappalardo, Sebastiano; Parisi, Melchiorre F.; Pisagatti, Ilenia","Encapsulation of biogenic polyamines by carboxylcalix[5]arenes: when solid-state design beats recognition in solution","CrystEngComm","2016","18","26","5012","","10.1039/C6CE00468G","","","0.6525","","","0.1338","0.1128","","","0.3043","0.3384","","","","","","1.063","","","","has coordinates,has disorder","185196","2020-10-21","18:00:00",""
"7224924","12.5712","0.0012","10.2622","0.0009","18.6905","0.0018","90","","101.379","0.003","90","","2363.8","0.4","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","bis(quinolinium) tetrabromocadmate(II) monohydrate","bis(quinolinium) tetrabromocadmate(II) monohydrate","","- C18 H20 Br4 Cd N2 O2 -","- C18 H20 Br4 Cd N2 O2 -","- C72 H80 Br16 Cd4 N8 O8 -","4","0.5","","Slabbert, C.; Rademeyer, M.","Structures and trends of neutral MXxsolvent4−xtetrahedra and anionic [MX4]2−tetrahalometallates of zinc(ii), cadmium(ii) and mercury(ii) with benzopyridine- and benzopyrazine-type N-donor ligands or cations","CrystEngComm","2016","18","24","4555","","10.1039/C6CE00568C","","","0.71073","MoKα","","0.0692","0.0374","","","0.072","0.0806","","","","","","1.002","","","","has coordinates","185224","2020-10-21","18:00:00",""
"7224925","16.448","0.002","13.1972","0.0014","12.5022","0.0014","90","","106.338","0.004","90","","2604.2","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","bis(phenazinium) tetrachloromercurate(ii) dihydrate","bis(phenazinium) tetrachloromercury(ii) dihydrate","","- C24 H22 Cl4 Hg N4 O2 -","- C24 H22 Cl4 Hg N4 O2 -","- C96 H88 Cl16 Hg4 N16 O8 -","4","1","","Slabbert, C.; Rademeyer, M.","Structures and trends of neutral MXxsolvent4−xtetrahedra and anionic [MX4]2−tetrahalometallates of zinc(ii), cadmium(ii) and mercury(ii) with benzopyridine- and benzopyrazine-type N-donor ligands or cations","CrystEngComm","2016","18","24","4555","","10.1039/C6CE00568C","","","0.71073","MoKα","","0.099","0.0447","","","0.0586","0.0685","","","","","","1.002","","","","has coordinates","185224","2020-10-21","18:00:00",""
"7224926","13.155","0.013","10.375","0.011","18.777","0.017","90","","93.87","0.03","90","","2557","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","bis(acridinium) tetrachloro-zinc(II)","bis(acridinium) tetrachloro-zinc(II)","","- C26 H20 Cl4 N2 Zn -","- C26 H20 Cl4 N2 Zn -","- C104 H80 Cl16 N8 Zn4 -","4","0.5","","Slabbert, C.; Rademeyer, M.","Structures and trends of neutral MXxsolvent4−xtetrahedra and anionic [MX4]2−tetrahalometallates of zinc(ii), cadmium(ii) and mercury(ii) with benzopyridine- and benzopyrazine-type N-donor ligands or cations","CrystEngComm","2016","18","24","4555","","10.1039/C6CE00568C","","","0.71073","MoKα","","0.2053","0.1423","","","0.2463","0.2719","","","","","","1.185","","","","has coordinates","185224","2020-10-21","18:00:00",""
"7224927","10.788","0.002","20.604","0.005","15.212","0.003","90","","96.743","0.003","90","","3357.9","1.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","tris(acridine) diaqua-dibromo-zinc(II)","tris(acridine) diaqua-dibromo-zinc(II)","","- C39 H31 Br2 N3 O2 Zn -","- C39 H31 Br2 N3 O2 Zn -","- C156 H124 Br8 N12 O8 Zn4 -","4","1","","Slabbert, C.; Rademeyer, M.","Structures and trends of neutral MXxsolvent4−xtetrahedra and anionic [MX4]2−tetrahalometallates of zinc(ii), cadmium(ii) and mercury(ii) with benzopyridine- and benzopyrazine-type N-donor ligands or cations","CrystEngComm","2016","18","24","4555","","10.1039/C6CE00568C","","","0.71073","MoKα","","0.0564","0.0391","","","0.0954","0.0996","","","","","","0.993","","","","has coordinates","185224","2020-10-21","18:00:00",""
"7224928","13.1044","0.0013","10.2306","0.0009","19.0699","0.0019","90","","92.513","0.003","90","","2554.2","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","bis(acridinium) tetrabromo-zinc (II)","bis(acridinium) tetrabromo-zinc (II)","","- C26 H20 Br4 N2 Zn -","- C26 H20 Br4 N2 Zn -","- C104 H80 Br16 N8 Zn4 -","4","0.5","","Slabbert, C.; Rademeyer, M.","Structures and trends of neutral MXxsolvent4−xtetrahedra and anionic [MX4]2−tetrahalometallates of zinc(ii), cadmium(ii) and mercury(ii) with benzopyridine- and benzopyrazine-type N-donor ligands or cations","CrystEngComm","2016","18","24","4555","","10.1039/C6CE00568C","","","0.71073","MoKα","","0.0986","0.0885","","","0.2868","0.2974","","","","","","1.218","","","","has coordinates","185224","2020-10-21","18:00:00",""
"7224929","16.5361","0.0014","13.2372","0.0011","12.7563","0.0011","90","","106.25","0.003","90","","2680.7","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","bis(phenazinium) tetrabromomercurate(II) dihydrate","bis(phenazinium) tetrabromomercurate(II) dihydrate","","- C24 H22 Br4 Hg N4 O2 -","- C24 H22 Br4 Hg N4 O2 -","- C96 H88 Br16 Hg4 N16 O8 -","4","1","","Slabbert, C.; Rademeyer, M.","Structures and trends of neutral MXxsolvent4−xtetrahedra and anionic [MX4]2−tetrahalometallates of zinc(ii), cadmium(ii) and mercury(ii) with benzopyridine- and benzopyrazine-type N-donor ligands or cations","CrystEngComm","2016","18","24","4555","","10.1039/C6CE00568C","","","0.71073","MoKα","","0.1426","0.1115","","","0.18","0.1901","","","","","","1.175","","","","has coordinates","185224","2020-10-21","18:00:00",""
"7224930","6.9401","0.0001","16.5048","0.0003","20.9602","0.0004","90","","91.82","0.03","90","","2399.67","0.08","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","bis(phenazine) diaqua-dichloro-zinc(II) monohydrate","bis(phenazine) diaqua-dichloro-zinc(II) monohydrate","","- C24 H22 Cl2 N4 O3 Zn -","- C24 H22 Cl2 N4 O3 Zn -","- C96 H88 Cl8 N16 O12 Zn4 -","4","1","","Slabbert, C.; Rademeyer, M.","Structures and trends of neutral MXxsolvent4−xtetrahedra and anionic [MX4]2−tetrahalometallates of zinc(ii), cadmium(ii) and mercury(ii) with benzopyridine- and benzopyrazine-type N-donor ligands or cations","CrystEngComm","2016","18","24","4555","","10.1039/C6CE00568C","","","0.71073","MoKα","","0.1208","0.1013","","","0.3008","0.3213","","","","","","1.141","","","","has coordinates","185224","2020-10-21","18:00:00",""
"7224931","16.2283","0.0014","12.5193","0.0011","17.939","0.002","90","","115.769","0.002","90","","3282.2","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","phenazindiium phenazine tetrachloro-zinc(II)","phenazindiium phenazine tetrachloro-zinc(II)","","- C36 H28 Cl4 N6 Zn -","- C36 H28 Cl4 N6 Zn -","- C144 H112 Cl16 N24 Zn4 -","4","0.5","","Slabbert, C.; Rademeyer, M.","Structures and trends of neutral MXxsolvent4−xtetrahedra and anionic [MX4]2−tetrahalometallates of zinc(ii), cadmium(ii) and mercury(ii) with benzopyridine- and benzopyrazine-type N-donor ligands or cations","CrystEngComm","2016","18","24","4555","","10.1039/C6CE00568C","","","0.71073","MoKα","","0.0689","0.0567","","","0.1321","0.1394","","","","","","1.115","","","","has coordinates","185224","2020-10-21","18:00:00",""
"7224932","9.6262","0.0004","10.2001","0.0005","14.7243","0.0007","97.375","0.001","93.472","0.001","113.214","0.001","1307.87","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","bis(acridinium) tetrabromocadmate(II)","bis(acridinium) tetrabromocadmate(II)","","- C26 H20 Br4 Cd N2 -","- C26 H20 Br4 Cd N2 -","- C52 H40 Br8 Cd2 N4 -","2","1","","Slabbert, C.; Rademeyer, M.","Structures and trends of neutral MXxsolvent4−xtetrahedra and anionic [MX4]2−tetrahalometallates of zinc(ii), cadmium(ii) and mercury(ii) with benzopyridine- and benzopyrazine-type N-donor ligands or cations","CrystEngComm","2016","18","24","4555","","10.1039/C6CE00568C","","","0.71073","MoKα","","0.0435","0.0293","","","0.0617","0.0667","","","","","","1.031","","","","has coordinates","185224","2020-10-21","18:00:00",""
"7224933","12.8432","0.0016","10.2106","0.0012","18.821","0.002","90","","92.326","0.005","90","","2466.1","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","bis(acridinium) tetrachlorocadmate (II)","bis(acridinium) tetrachlorocadmate (II)","","- C26 H20 Cd Cl4 N2 -","- C26 H20 Cd Cl4 N2 -","- C104 H80 Cd4 Cl16 N8 -","4","0.5","","Slabbert, C.; Rademeyer, M.","Structures and trends of neutral MXxsolvent4−xtetrahedra and anionic [MX4]2−tetrahalometallates of zinc(ii), cadmium(ii) and mercury(ii) with benzopyridine- and benzopyrazine-type N-donor ligands or cations","CrystEngComm","2016","18","24","4555","","10.1039/C6CE00568C","","","0.71073","MoKα","","0.0781","0.0765","","","0.2109","0.2121","","","","","","1.212","","","","has coordinates","185224","2020-10-21","18:00:00",""
"7224934","12.0377","0.0009","9.9002","0.0007","18.3254","0.0013","90","","100.72","0.002","90","","2145.8","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","bis(quinolinium) tetracholoromercurate(II) monohydrate","bis(quinolinium) tetracholoromercurate(II) monohydrate","","- C18 H20 Cl4 Hg N2 O2 -","- C18 H20 Cl4 Hg N2 O2 -","- C72 H80 Cl16 Hg4 N8 O8 -","4","0.5","","Slabbert, C.; Rademeyer, M.","Structures and trends of neutral MXxsolvent4−xtetrahedra and anionic [MX4]2−tetrahalometallates of zinc(ii), cadmium(ii) and mercury(ii) with benzopyridine- and benzopyrazine-type N-donor ligands or cations","CrystEngComm","2016","18","24","4555","","10.1039/C6CE00568C","","","0.71073","MoKα","","0.0127","0.0119","","","0.0292","0.0295","","","","","","1.094","","","","has coordinates","185224","2020-10-21","18:00:00",""
"7224935","11.4956","0.0003","21.8349","0.0007","15.5772","0.0005","90","","93.772","0.001","90","","3901.5","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","tris(acridine) aqua-diiodo-O-ipropanol-zinc(II)","tris(acridine) aqua-diiodo-O-ipropanol-zinc(II)","","- C42 H37 I2 N3 O2 Zn -","- C42 H37 I2 N3 O2 Zn -","- C168 H148 I8 N12 O8 Zn4 -","4","1","","Slabbert, C.; Rademeyer, M.","Structures and trends of neutral MXxsolvent4−xtetrahedra and anionic [MX4]2−tetrahalometallates of zinc(ii), cadmium(ii) and mercury(ii) with benzopyridine- and benzopyrazine-type N-donor ligands or cations","CrystEngComm","2016","18","24","4555","","10.1039/C6CE00568C","","","0.71073","MoKα","","0.0548","0.0364","","","0.0847","0.0951","","","","","","1.023","","","","has coordinates","185224","2020-10-21","18:00:00",""
"7224936","7.7519","0.0003","10.0771","0.0004","18.7817","0.0007","93.974","0.001","99.551","0.001","104.544","0.001","1390.97","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","phenazinium bis(phenazine) aqua-tribromo-zinc(II) monohydrate ethanol solvate","phenazinium bis(phenazine) aqua-tribromo-zinc(II) monohydrate ethanol solvate","","- C26 H27 Br3 N4 O3 Zn -","- C26 H27 Br3 N4 O3 Zn -","- C52 H54 Br6 N8 O6 Zn2 -","2","1","","Slabbert, C.; Rademeyer, M.","Structures and trends of neutral MXxsolvent4−xtetrahedra and anionic [MX4]2−tetrahalometallates of zinc(ii), cadmium(ii) and mercury(ii) with benzopyridine- and benzopyrazine-type N-donor ligands or cations","CrystEngComm","2016","18","24","4555","","10.1039/C6CE00568C","","","0.71073","MoKα","","0.0258","0.0237","","","0.0624","0.0634","","","","","","1.05","","","","has coordinates","185224","2020-10-21","18:00:00",""
"7224937","16.693","0.0015","13.4439","0.0012","12.7863","0.0011","90","","106.754","0.002","90","","2747.7","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","bis(phenazinium) tetrabromocadmate(II) dihydrate","bis(phenazinium) tetrabromocadmate(II) dihydrate","","- C24 H21 Br4 Cd N4 O2 -","- C24 H21 Br4 Cd N4 O2 -","- C96 H84 Br16 Cd4 N16 O8 -","4","1","","Slabbert, C.; Rademeyer, M.","Structures and trends of neutral MXxsolvent4−xtetrahedra and anionic [MX4]2−tetrahalometallates of zinc(ii), cadmium(ii) and mercury(ii) with benzopyridine- and benzopyrazine-type N-donor ligands or cations","CrystEngComm","2016","18","24","4555","","10.1039/C6CE00568C","","","0.71073","MoKα","","0.1288","0.0755","","","0.1331","0.1569","","","","","","1.126","","","","has coordinates","185224","2020-10-21","18:00:00",""
"7224938","11.2134","0.0005","21.5564","0.0011","15.1841","0.0008","90","","92.675","0.002","90","","3666.3","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","tris(acridine) aqua-O-etanol-diiodo-zinc(II)","tris(acridine) aqua-O-etanol-diiodo-zinc(II)","","- C41 H35 I2 N3 O2 Zn -","- C41 H35 I2 N3 O2 Zn -","- C164 H140 I8 N12 O8 Zn4 -","4","1","","Slabbert, C.; Rademeyer, M.","Structures and trends of neutral MXxsolvent4−xtetrahedra and anionic [MX4]2−tetrahalometallates of zinc(ii), cadmium(ii) and mercury(ii) with benzopyridine- and benzopyrazine-type N-donor ligands or cations","CrystEngComm","2016","18","24","4555","","10.1039/C6CE00568C","","","0.71073","MoKα","","0.0231","0.0211","","","0.0591","0.0617","","","","","","0.824","","","","has coordinates","185224","2020-10-21","18:00:00",""
"7224939","6.917","0.0007","16.4068","0.0015","21.562","0.002","90","","92.213","0.002","90","","2445.2","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","bis(phenazine) diaqua-dibromo-zinc(II) monohydrate","bis(phenazine) diaqua-dibromo-zinc(II) monohydrate","","- C24 H22 Br2 N4 O3 Zn -","- C24 H22 Br2 N4 O3 Zn -","- C96 H88 Br8 N16 O12 Zn4 -","4","1","","Slabbert, C.; Rademeyer, M.","Structures and trends of neutral MXxsolvent4−xtetrahedra and anionic [MX4]2−tetrahalometallates of zinc(ii), cadmium(ii) and mercury(ii) with benzopyridine- and benzopyrazine-type N-donor ligands or cations","CrystEngComm","2016","18","24","4555","","10.1039/C6CE00568C","","","0.71073","MoKα","","0.0551","0.0473","","","0.1189","0.1246","","","","","","1.065","","","","has coordinates","185224","2020-10-21","18:00:00",""
"7224944","16.4496","0.0006","16.5567","0.0007","17.7879","0.0007","90","","90","","90","","4844.6","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H66 N10 O10 -","- C42 H66 N10 O10 -","- C168 H264 N40 O40 -","4","1","","Solà, Jordi; Bolte, Michael; Alfonso, Ignacio","Metal-driven assembly of peptidic foldamers: formation of molecular tapes","CrystEngComm","2016","18","21","3793","","10.1039/C6CE00601A","","","0.71073","MoKα","","0.0562","0.0469","","","0.1045","0.1085","","","","","","1.052","","","","has coordinates","211177","2020-10-21","18:00:00",""
"7224945","16.7243","0.001","16.7433","0.0009","17.6543","0.001","90","","90","","90","","4943.6","0.5","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C44 H72 N10 O11 -","- C44 H72 N10 O11 -","- C176 H288 N40 O44 -","4","1","","Solà, Jordi; Bolte, Michael; Alfonso, Ignacio","Metal-driven assembly of peptidic foldamers: formation of molecular tapes","CrystEngComm","2016","18","21","3793","","10.1039/C6CE00601A","","","0.7107","MoKα","","0.114","0.0841","","","0.2063","0.2243","","","","","","1.094","","","","has coordinates","185247","2020-10-21","18:00:00",""
"7224946","7.4337","0.0001","9.2677","0.0001","17.007","0.0003","74.3","0.001","79.907","0.001","68.455","0.001","1045.37","0.03","296","2","296.15","","","","","","","","","4","P 1","P 1","1","","Estradiol","","- C24 H30 N2 O3 -","- C24 H30 N2 O3 -","- C48 H60 N4 O6 -","2","2","","Wang, Jian-Rong; Wang, Xiaojuan; Yang, Yong; Chen, Xiaoyan; Mei, Xuefeng","Solid-state characterization of 17β-estradiol co-crystals presenting improved dissolution and bioavailability","CrystEngComm","2016","18","19","3498","","10.1039/C6CE00433D","","","0.71073","MoKα","","0.0419","0.0364","","","0.0966","0.1011","","","","","","1.041","","","","has coordinates","194155","2020-10-21","18:00:00",""
"7224947","7.3931","0.0007","9.2277","0.0008","14.7018","0.0013","98.038","0.006","97.853","0.006","110.152","0.005","913.71","0.15","296","2","296.15","","","","","","","","","4","P 1","P 1","1","","Estradiol","","- C20 H31 N O3 -","- C20 H31 N O3 -","- C40 H62 N2 O6 -","2","2","","Wang, Jian-Rong; Wang, Xiaojuan; Yang, Yong; Chen, Xiaoyan; Mei, Xuefeng","Solid-state characterization of 17β-estradiol co-crystals presenting improved dissolution and bioavailability","CrystEngComm","2016","18","19","3498","","10.1039/C6CE00433D","","","0.71073","MoKα","","0.0896","0.0469","","","0.0883","0.1041","","","","","","1.004","","","","has coordinates","194155","2020-10-21","18:00:00",""
"7224951","13.5184","0.0009","13.4639","0.0008","21.0031","0.0013","90","","106.412","0.007","90","","3667","0.4","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H15 Cl4 F15 N4 -","- C39 H15 Cl4 F15 N4 -","- C156 H60 Cl16 F60 N16 -","4","1","","Śniechowska, Justyna; Paluch, Piotr; Bujacz, Grzegorz; Górecki, Marcin; Frelek, Jadwiga; Gryko, Daniel T.; Potrzebowski, Marek J.","Chiral crystals from porphyrinoids possessing a very low racemization barrier","CrystEngComm","2016","18","20","3561","","10.1039/C6CE00530F","","","0.71073","MoKα","","0.1398","0.0682","","","0.1653","0.1915","","","","","","0.8832","","","","has coordinates,has disorder","185237","2020-10-21","18:00:00",""
"7224952","7.2006","0.0001","16.7077","0.0001","30.1005","0.0003","90","","90","","90","","3621.25","0.07","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","korol","","","- C39 H15 Cl4 F15 N4 -","- C39 H15 Cl4 F15 N4 -","- C156 H60 Cl16 F60 N16 -","4","1","","Śniechowska, Justyna; Paluch, Piotr; Bujacz, Grzegorz; Górecki, Marcin; Frelek, Jadwiga; Gryko, Daniel T.; Potrzebowski, Marek J.","Chiral crystals from porphyrinoids possessing a very low racemization barrier","CrystEngComm","2016","18","20","3561","","10.1039/C6CE00530F","","x-ray","1.54184","CuKα","","0.0246","0.0244","","","0.0629","0.0631","","","","","","1.066","","","","has coordinates","185237","2020-10-21","18:00:00",""
"7224953","7.339","0.002","19.964","0.006","10.771","0.003","90","","104.306","0.005","90","","1529.2","0.8","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N O4 -","- C18 H15 N O4 -","- C72 H60 N4 O16 -","4","1","","Zhang, Xinyuan; Jiang, Xingxing; Liu, Pengxiang; Li, Yin; Tu, Heng; Lin, Zheshuai; Xu, Degang; Zhang, Guochun; Wu, Yicheng; Yao, Jianquan","Molecular design on isoxazolone-based derivatives with large second-order harmonic generation effect and terahertz wave generation","CrystEngComm","2016","18","20","3667","","10.1039/C6CE00398B","","","0.71073","MoKα","","0.0664","0.0578","","","0.1331","0.14","","","","","","1.001","","","","has coordinates","185239","2020-10-21","18:00:00",""
"7224954","12.04","0.003","6.7907","0.0014","19.562","0.004","90","","90","","90","","1599.4","0.6","153","2","153","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H18 N2 O2 -","- C20 H18 N2 O2 -","- C80 H72 N8 O8 -","4","1","","Zhang, Xinyuan; Jiang, Xingxing; Liu, Pengxiang; Li, Yin; Tu, Heng; Lin, Zheshuai; Xu, Degang; Zhang, Guochun; Wu, Yicheng; Yao, Jianquan","Molecular design on isoxazolone-based derivatives with large second-order harmonic generation effect and terahertz wave generation","CrystEngComm","2016","18","20","3667","","10.1039/C6CE00398B","","","0.71073","MoKα","","0.0562","0.0447","","","0.0907","0.0967","","","","","","1.003","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"7224955","11.55","0.002","11.294","0.002","33.009","0.006","90","","90","","90","","4305.9","1.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H20 N2 O2 -","- C28 H20 N2 O2 -","- C224 H160 N16 O16 -","8","1","","Zhang, Xinyuan; Jiang, Xingxing; Liu, Pengxiang; Li, Yin; Tu, Heng; Lin, Zheshuai; Xu, Degang; Zhang, Guochun; Wu, Yicheng; Yao, Jianquan","Molecular design on isoxazolone-based derivatives with large second-order harmonic generation effect and terahertz wave generation","CrystEngComm","2016","18","20","3667","","10.1039/C6CE00398B","","","0.71073","MoKα","","0.0905","0.0451","","","0.105","0.1273","","","","","","1.008","","","","has coordinates","185239","2020-10-21","18:00:00",""
"7224961","6.2362","0.0002","16.4475","0.0006","11.5774","0.0005","90","","93.457","0.004","90","","1185.33","0.08","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","methyl yellow","'N,N-dimethyl-4-aminoazobenzene '","","- C14 H15 N3 -","- C14 H15 N3 -","- C56 H60 N12 -","4","1","","Cruickshank, Dyanne L.; Hendon, Christopher H.; Verbeek, Matthew J. R.; Walsh, Aron; Wilson, Chick C.","Polymorphism of the azobenzene dye compound methyl yellow","CrystEngComm","2016","18","19","3456","","10.1039/C6CE00387G","","","0.71073","MoKα","","0.0892","0.0519","","","0.1046","0.1221","","","","","","1.026","","","","has coordinates","185291","2020-10-21","18:00:00",""
"7224962","15.114","0.001","19.254","0.001","12.036","0.001","103.109","0.008","104.063","0.008","102.422","0.007","3170.8","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C70 H70 Cl6 O8 -","- C70 H70 Cl6 O8 -","- C140 H140 Cl12 O16 -","2","1","","Vita, Francesco; Vorti, Michela; Orlandini, Guido; Zanichelli, Valeria; Massera, Chiara; Ugozzoli, Franco; Arduini, Arturo; Secchi, Andrea","Synthesis and recognition properties of calix[4]arene semitubes as ditopic hosts for N-alkylpyridinium ion pairs","CrystEngComm","2016","18","26","5017","","10.1039/C6CE00268D","","","1.54178","CuKα","","0.1585","0.1087","","","0.3134","0.3501","","","","","","1.119","","","","has coordinates","185195","2020-10-21","18:00:00",""
"7224963","10.574","0.001","15.785","0.001","17.417","0.002","88.866","0.002","89.179","0.002","75.592","0.002","2815","0.5","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C64 H60 Cl4 O8 -","- C64 H60 Cl4 O8 -","- C128 H120 Cl8 O16 -","2","1","","Vita, Francesco; Vorti, Michela; Orlandini, Guido; Zanichelli, Valeria; Massera, Chiara; Ugozzoli, Franco; Arduini, Arturo; Secchi, Andrea","Synthesis and recognition properties of calix[4]arene semitubes as ditopic hosts for N-alkylpyridinium ion pairs","CrystEngComm","2016","18","26","5017","","10.1039/C6CE00268D","","","0.71069","MoKα","","0.1553","0.0998","","","0.297","0.341","","","","","","1.106","","","","has coordinates","185195","2020-10-21","18:00:00",""
"7224964","24.013","0.001","4.8573","0.0002","18.3684","0.0007","90","","110.975","0.004","90","","2000.49","0.15","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Br2 N4 O4 -","- C18 H16 Br2 N4 O4 -","- C72 H64 Br8 N16 O16 -","4","1","","Mavračić, Juraj; Cinčić, Dominik; Kaitner, Branko","Halogen bonding of N-bromosuccinimide by grinding","CrystEngComm","2016","18","19","3343","","10.1039/C6CE00638H","","","0.71073","MoKα","","0.0968","0.0328","","","0.0482","0.0522","","","","","","0.705","","","","has coordinates","185294","2020-10-21","18:00:00",""
"7224965","15.734","0.0006","7.37","0.0003","12.207","0.0004","90","","107.213","0.004","90","","1352.12","0.09","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 Br N3 O2 -","- C14 H12 Br N3 O2 -","- C56 H48 Br4 N12 O8 -","4","1","","Mavračić, Juraj; Cinčić, Dominik; Kaitner, Branko","Halogen bonding of N-bromosuccinimide by grinding","CrystEngComm","2016","18","19","3343","","10.1039/C6CE00638H","","","0.71073","MoKα","","0.0595","0.031","","","0.0535","0.0565","","","","","","0.833","","","","has coordinates","185294","2020-10-21","18:00:00",""
"7224966","12.7147","0.0016","6.2855","0.0009","27.243","0.003","90","","100.679","0.009","90","","2139.5","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 N6 O3 S -","- C20 H26 N6 O3 S -","- C80 H104 N24 O12 S4 -","4","1","","Phukan, Nithi; Baruah, Jubaraj B.","Imine-tautomers of aminothiazole derivatives: intriguing aspects of chemical reactivities","CrystEngComm","2016","18","21","3877","","10.1039/C6CE00676K","","","0.71073","MoKα","","0.132","0.0509","","","0.0875","0.0994","","","","","","0.817","","","","has coordinates","185246","2020-10-21","18:00:00",""
"7224967","8.5882","0.0006","9.0566","0.0007","13.2569","0.0009","93.909","0.004","107.379","0.004","107.982","0.004","921.26","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H19 N5 O3 S2 -","- C15 H19 N5 O3 S2 -","- C30 H38 N10 O6 S4 -","2","1","","Phukan, Nithi; Baruah, Jubaraj B.","Imine-tautomers of aminothiazole derivatives: intriguing aspects of chemical reactivities","CrystEngComm","2016","18","21","3877","","10.1039/C6CE00676K","","","0.71073","MoKα","","0.059","0.0398","","","0.0739","0.0802","","","","","","1.036","","","","has coordinates","185246","2020-10-21","18:00:00",""
"7224968","7.8556","0.0004","10.5492","0.0005","11.5009","0.0006","91.605","0.003","102.511","0.003","110.839","0.002","863.8","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H16 N4 O3 S3 -","- C13 H16 N4 O3 S3 -","- C26 H32 N8 O6 S6 -","2","1","","Phukan, Nithi; Baruah, Jubaraj B.","Imine-tautomers of aminothiazole derivatives: intriguing aspects of chemical reactivities","CrystEngComm","2016","18","21","3877","","10.1039/C6CE00676K","","","0.71073","MoKα","","0.0393","0.0339","","","0.0719","0.0739","","","","","","1.037","","","","has coordinates","185246","2020-10-21","18:00:00",""
"7224969","35.437","0.002","5.1812","0.0003","19.7021","0.001","90","","94.827","0.005","90","","3604.6","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27.6 H31.6 N10 O6 S4 Zn -","- C27.6 H31.6 N10 O6 S4 Zn -","- C110.4 H126.4 N40 O24 S16 Zn4 -","4","0.5","","Phukan, Nithi; Baruah, Jubaraj B.","Imine-tautomers of aminothiazole derivatives: intriguing aspects of chemical reactivities","CrystEngComm","2016","18","21","3877","","10.1039/C6CE00676K","","","0.71073","MoKα","","0.0844","0.0571","","","0.0983","0.11","","","","","","1.034","","","","has coordinates","185246","2020-10-21","18:00:00",""
"7224970","10.6976","0.0008","12.5934","0.0009","14.4096","0.0009","87.49","0.005","85.965","0.005","83.479","0.005","1922.7","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H10 N4 O2 S2 -","- C11 H10 N4 O2 S2 -","- C66 H60 N24 O12 S12 -","6","3","","Phukan, Nithi; Baruah, Jubaraj B.","Imine-tautomers of aminothiazole derivatives: intriguing aspects of chemical reactivities","CrystEngComm","2016","18","21","3877","","10.1039/C6CE00676K","","","0.71073","MoKα","","0.1077","0.0577","","","0.1392","0.1705","","","","","","1.003","","","","has coordinates","185246","2020-10-21","18:00:00",""
"7224971","9.2653","0.0007","10.2683","0.0007","11.4407","0.0008","66.57","0.004","80.387","0.005","65.245","0.005","906.93","0.12","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H15 Br N4 O4 S2 -","- C13 H15 Br N4 O4 S2 -","- C26 H30 Br2 N8 O8 S4 -","2","1","","Phukan, Nithi; Baruah, Jubaraj B.","Imine-tautomers of aminothiazole derivatives: intriguing aspects of chemical reactivities","CrystEngComm","2016","18","21","3877","","10.1039/C6CE00676K","","","0.71073","MoKα","","0.1286","0.0516","","","0.0816","0.1075","","","","","","1.004","","","","has coordinates","185246","2020-10-21","18:00:00",""
"7224972","24.018","0.0018","4.9616","0.0002","23.5481","0.0018","90","","112.834","0.009","90","","2586.3","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H10 N4 O2 S2 -","- C11 H10 N4 O2 S2 -","- C88 H80 N32 O16 S16 -","8","1","","Phukan, Nithi; Baruah, Jubaraj B.","Imine-tautomers of aminothiazole derivatives: intriguing aspects of chemical reactivities","CrystEngComm","2016","18","21","3877","","10.1039/C6CE00676K","","","0.71073","MoKα","","0.0572","0.0415","","","0.1201","0.1398","","","","","","0.999","","","","has coordinates","185246","2020-10-21","18:00:00",""
"7224973","8.6923","0.0002","9.6622","0.0002","11.9422","0.0003","106.389","0.001","91.668","0.001","107.403","0.001","911.1","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H19 N5 O3 S2 -","- C15 H19 N5 O3 S2 -","- C30 H38 N10 O6 S4 -","2","1","","Phukan, Nithi; Baruah, Jubaraj B.","Imine-tautomers of aminothiazole derivatives: intriguing aspects of chemical reactivities","CrystEngComm","2016","18","21","3877","","10.1039/C6CE00676K","","","0.71073","MoKα","","0.0444","0.0384","","","0.118","0.1269","","","","","","1.005","","","","has coordinates","185246","2020-10-21","18:00:00",""
"7224974","6.557","0.002","8.595","0.002","12.225","0.003","92.35","0.02","91.9","0.02","98.16","0.02","680.9","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H12 N4 O4 S -","- C11 H12 N4 O4 S -","- C22 H24 N8 O8 S2 -","2","1","","Phukan, Nithi; Baruah, Jubaraj B.","Imine-tautomers of aminothiazole derivatives: intriguing aspects of chemical reactivities","CrystEngComm","2016","18","21","3877","","10.1039/C6CE00676K","","","0.71073","MoKα","","0.2901","0.1164","","","0.2735","0.3261","","","","","","1.097","","","","has coordinates","185246","2020-10-21","18:00:00",""
"7224975","8.4079","0.0008","10.8878","0.0011","13.9669","0.0014","86.117","0.006","85.722","0.006","68.541","0.005","1185.5","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H25 N7 O5 S -","- C23 H25 N7 O5 S -","- C46 H50 N14 O10 S2 -","2","1","","Phukan, Nithi; Baruah, Jubaraj B.","Imine-tautomers of aminothiazole derivatives: intriguing aspects of chemical reactivities","CrystEngComm","2016","18","21","3877","","10.1039/C6CE00676K","","","0.71073","MoKα","","0.1518","0.0552","","","0.0654","0.0818","","","","","","1.001","","","","has coordinates","185246","2020-10-21","18:00:00",""
"7224985","10.1327","0.0005","13.1142","0.0006","16.2637","0.0007","80.616","0.004","84.703","0.004","68.575","0.005","1983.63","0.17","10","5","10","5","","","","","","","","9","P -1","-P 1","2","","","","- C36 H66 B Cl F4 N O P2 Ru -","- C36 H66 B Cl F4 N2 O2 P2 Ru -","- C72 H132 B2 Cl2 F8 N4 O4 P4 Ru2 -","2","1","","Casaretto, N.; Fournier, B.; Pillet, S.; Bendeif, E. E.; Schaniel, D.; Gallien, A. K. E.; Klüfers, P.; Woike, T.","Photo-induced linkage NO isomers in the dinitrosyl complex [Ru(NO)2(PCy3)2Cl](BF4) identified by photocrystallography and IR-spectroscopy","CrystEngComm","2016","18","38","7260","","10.1039/C6CE00735J","","","0.71073","MoKα","","0.0497","0.038","","","0.079","0.085","","","","","","1.037","","","","has coordinates,has disorder","187031","2020-10-21","18:00:00",""
"7224986","10.0316","0.0014","10.0316","0.0014","17.575","0.004","90","","90","","120","","1531.7","0.5","122.1","0.1","122.1","0.1","","","","","","","","5","R 3","R 3","146","","","","- C12 H14 N12 O4 Zn2 -","- C12 H13.98 N12 O4 Zn2 -","- C36 H41.94 N36 O12 Zn6 -","3","","","Cao, Chun-Shuai; Hu, Huan-Cheng; Xu, Hang; Qiao, Wan-Zhen; Zhao, Bin","Two solvent-stable MOFs as a recyclable luminescent probe for detecting dichromate or chromate anions","CrystEngComm","2016","18","23","4445","","10.1039/C5CE02568K","","","0.71073","MoKα","","0.0807","0.0643","","","0.1534","0.1684","","","","","","1.046","","","","has coordinates","185285","2020-10-21","18:00:00",""
"7224988","31.5821","0.0012","31.5821","0.0012","5.8362","0.0005","90","","90","","120","","5041.3","0.5","293","2","293","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C28 H18 N6 -","- C28 H18 N6 -","- C252 H162 N54 -","9","0.5","","Martins, Marcos A. P.; Hörner, Manfredo; Beck, Johannes; Tier, Aniele Z.; Belladona, Andrei L.; Meyer, Alexandre R.; Zanatta, Nilo; Bonacorso, Helio G.; Frizzo, Clarissa P.","Polymorphism in an 18-membered macrocycle: an energetic and topological approach to understand the supramolecular structure","CrystEngComm","2016","18","21","3866","","10.1039/C5CE02123E","","","0.71073","MoKα","","0.1191","0.0411","","","0.0906","0.1006","","","","","","0.713","","","","has coordinates","185242","2020-10-21","18:00:00",""
"7224989","11.8253","0.0014","6.2971","0.0005","15.069","0.002","90","","100.9","0.005","90","","1101.9","0.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H18 N6 -","- C28 H18 N6 -","- C56 H36 N12 -","2","0.5","","Martins, Marcos A. P.; Hörner, Manfredo; Beck, Johannes; Tier, Aniele Z.; Belladona, Andrei L.; Meyer, Alexandre R.; Zanatta, Nilo; Bonacorso, Helio G.; Frizzo, Clarissa P.","Polymorphism in an 18-membered macrocycle: an energetic and topological approach to understand the supramolecular structure","CrystEngComm","2016","18","21","3866","","10.1039/C5CE02123E","","","0.71073","MoKα","","0.1892","0.0691","","","0.1811","0.2376","","","","","","0.949","","","","has coordinates","185242","2020-10-21","18:00:00",""
"7224990","7.2379","0.001","8.6275","0.0012","12.664","0.002","102.003","0.008","100.361","0.008","91.428","0.009","759.3","0.19","150","2","150","2","","","","","","","synthesis as described","4","P -1","-P 1","2","neutral complex TMTTF_1","TMTTF_1","","- C26 H22 N6 S8 -","- C26 H22 N6 S8 -","- C26 H22 N6 S8 -","1","0.5","","Le Gal, Yann; Rajkumar, Mangaiyarkarasi; Vacher, Antoine; Dorcet, Vincent; Roisnel, Thierry; Fourmigué, Marc; Barrière, Frédéric; Guizouarn, Thierry; Lorcy, Dominique","A sulfur-rich π-electron acceptor derived from 5,5′-bithiazolidinylidene: charge-transfer complex vs. charge-transfer salt","CrystEngComm","2016","18","21","3925","","10.1039/C6CE00772D","","x-ray","0.71073","MoKα","","0.0813","0.061","","","0.1361","0.1464","","","","","","1.024","","","","has coordinates","185245","2020-10-21","18:00:00",""
"7224991","9.9664","0.0007","9.6751","0.0006","16.8053","0.0013","90","","99.922","0.005","90","","1596.2","0.2","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N5 S3 -","- C14 H13 N5 S3 -","- C56 H52 N20 S12 -","4","1","","Le Gal, Yann; Rajkumar, Mangaiyarkarasi; Vacher, Antoine; Dorcet, Vincent; Roisnel, Thierry; Fourmigué, Marc; Barrière, Frédéric; Guizouarn, Thierry; Lorcy, Dominique","A sulfur-rich π-electron acceptor derived from 5,5′-bithiazolidinylidene: charge-transfer complex vs. charge-transfer salt","CrystEngComm","2016","18","21","3925","","10.1039/C6CE00772D","","x-ray","0.71073","MoKα","","0.0527","0.0423","","","0.099","0.106","","","","","","1.053","","","","has coordinates","185245","2020-10-21","18:00:00",""
"7224992","7.2959","0.0011","8.7231","0.0012","12.7388","0.0018","102.719","0.008","101.011","0.007","91.481","0.007","774.3","0.2","293","2","293","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C26 H22 N6 S8 -","- C26 H22 N6 S8 -","- C26 H22 N6 S8 -","1","0.5","","Le Gal, Yann; Rajkumar, Mangaiyarkarasi; Vacher, Antoine; Dorcet, Vincent; Roisnel, Thierry; Fourmigué, Marc; Barrière, Frédéric; Guizouarn, Thierry; Lorcy, Dominique","A sulfur-rich π-electron acceptor derived from 5,5′-bithiazolidinylidene: charge-transfer complex vs. charge-transfer salt","CrystEngComm","2016","18","21","3925","","10.1039/C6CE00772D","","x-ray","0.71073","MoKα","","0.0685","0.0417","","","0.1016","0.114","","","","","","1.065","","","","has coordinates","185245","2020-10-21","18:00:00",""
"7224993","5.3638","0.0002","7.2562","0.0003","12.7329","0.0005","77.773","0.002","80.204","0.001","69.11","0.001","450.06","0.03","294","2","294","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C16 H10 N6 S4 -","- C16 H10 N6 S4 -","- C16 H10 N6 S4 -","1","0.5","","Le Gal, Yann; Rajkumar, Mangaiyarkarasi; Vacher, Antoine; Dorcet, Vincent; Roisnel, Thierry; Fourmigué, Marc; Barrière, Frédéric; Guizouarn, Thierry; Lorcy, Dominique","A sulfur-rich π-electron acceptor derived from 5,5′-bithiazolidinylidene: charge-transfer complex vs. charge-transfer salt","CrystEngComm","2016","18","21","3925","","10.1039/C6CE00772D","","x-ray","0.71073","MoKα","","0.0292","0.0261","","","0.0711","0.0747","","","","","","1.053","","","","has coordinates","185245","2020-10-21","18:00:00",""
"7224994","8.6586","0.0005","20.4937","0.0012","10.9221","0.0006","90","","109.724","0.002","90","","1824.38","0.18","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H40 Fe N6 S4 -","- C36 H40 Fe N6 S4 -","- C72 H80 Fe2 N12 S8 -","2","0.5","","Le Gal, Yann; Rajkumar, Mangaiyarkarasi; Vacher, Antoine; Dorcet, Vincent; Roisnel, Thierry; Fourmigué, Marc; Barrière, Frédéric; Guizouarn, Thierry; Lorcy, Dominique","A sulfur-rich π-electron acceptor derived from 5,5′-bithiazolidinylidene: charge-transfer complex vs. charge-transfer salt","CrystEngComm","2016","18","21","3925","","10.1039/C6CE00772D","","x-ray","0.71073","MoKα","","0.1067","0.0937","","","0.2136","0.2203","","","","","","1.279","","","","has coordinates,has disorder","287935","2023-12-01","15:08:13",""
"7224995","8.0024","0.0002","9.6519","0.0003","10.0837","0.0003","102.814","0.001","96.576","0.001","91.473","0.001","753.4","0.04","296","2","296","2","","","","","","","","3","P -1","-P 1","2","monobenzoylpyrene","phenyl(pyren-1-yl)methanone","","- C23 H14 O -","- C23 H14 O -","- C46 H28 O2 -","2","1","","Rajagopal, Shinaj K.; Reddy, V. Sivaranjana; Hariharan, Mahesh","Crystallization induced green-yellow-orange emitters based on benzoylpyrenes","CrystEngComm","2016","18","27","5089","","10.1039/C6CE00610H","","","0.71073","MoKα","","0.0511","0.0377","","","0.1208","0.1458","","","","","","1.151","","","","has coordinates","185229","2020-10-21","18:00:00",""
"7224996","10.0326","0.0003","10.6238","0.0003","11.6287","0.0004","94.489","0.001","99.49","0.002","117.263","0.001","1069.83","0.06","296","2","296","2","","","","","","","","3","P -1","-P 1","2","pyrene-1,3-diylbis(phenylmethanone)","1,3 Dibenzoylpyrene","","- C30 H18 O2 -","- C30 H18 O2 -","- C60 H36 O4 -","2","1","","Rajagopal, Shinaj K.; Reddy, V. Sivaranjana; Hariharan, Mahesh","Crystallization induced green-yellow-orange emitters based on benzoylpyrenes","CrystEngComm","2016","18","27","5089","","10.1039/C6CE00610H","","","0.71073","MoKα","","0.0503","0.0408","","","0.1147","0.1292","","","","","","1.067","","","","has coordinates","185229","2020-10-21","18:00:00",""
"7224997","5.4689","0.0003","8.251","0.0005","22.572","0.0015","90","","95.604","0.002","90","","1013.67","0.11","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1,6 Dibenzoylpyrene","pyrene-1,6-diylbis(phenylmethanone)","","- C30 H18 O2 -","- C30 H18 O2 -","- C60 H36 O4 -","2","0.5","","Rajagopal, Shinaj K.; Reddy, V. Sivaranjana; Hariharan, Mahesh","Crystallization induced green-yellow-orange emitters based on benzoylpyrenes","CrystEngComm","2016","18","27","5089","","10.1039/C6CE00610H","","","0.71073","MoKα","","0.0427","0.0337","","","0.087","0.0955","","","","","","1.039","","","","has coordinates","185229","2020-10-21","18:00:00",""
"7224998","25.1722","0.0005","8.4269","0.0002","19.6579","0.0005","90","","99.886","0.001","90","","4107.99","0.17","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","1,8 Dibenzoylpyrene","pyrene-1,8-diylbis(phenylmethanone)","","- C30 H18 O2 -","- C30 H18 O2 -","- C240 H144 O16 -","8","1","","Rajagopal, Shinaj K.; Reddy, V. Sivaranjana; Hariharan, Mahesh","Crystallization induced green-yellow-orange emitters based on benzoylpyrenes","CrystEngComm","2016","18","27","5089","","10.1039/C6CE00610H","","","0.71073","MoKα","","0.0711","0.0482","","","0.1237","0.16","","","","","","1.155","","","","has coordinates","185229","2020-10-21","18:00:00",""
"7224999","8.9515","0.0004","11.9373","0.0005","14.2375","0.0006","104.703","0.002","102.28","0.002","109.581","0.002","1310.36","0.1","296","2","296","2","","","","","","","","3","P -1","-P 1","2","Tribenzoylpyrene","pyrene-1,3,6-triyltris(phenylmethanone)","","- C37 H22 O3 -","- C37 H22 O3 -","- C74 H44 O6 -","2","1","","Rajagopal, Shinaj K.; Reddy, V. Sivaranjana; Hariharan, Mahesh","Crystallization induced green-yellow-orange emitters based on benzoylpyrenes","CrystEngComm","2016","18","27","5089","","10.1039/C6CE00610H","","","0.71073","MoKα","","0.0855","0.0421","","","0.114","0.161","","","","","","1.082","","","","has coordinates","185229","2020-10-21","18:00:00",""
"7225000","5.6503","0.0016","20.897","0.005","12.787","0.003","90","","101.506","0.012","90","","1479.5","0.7","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Tetrabenzoylpyrene","pyrene-1,3,6,8-tetrayltetrakis(phenylmethanone)","","- C44 H26 O4 -","- C44 H26 O4 -","- C88 H52 O8 -","2","0.5","","Rajagopal, Shinaj K.; Reddy, V. Sivaranjana; Hariharan, Mahesh","Crystallization induced green-yellow-orange emitters based on benzoylpyrenes","CrystEngComm","2016","18","27","5089","","10.1039/C6CE00610H","","","0.71073","MoKα","","0.0623","0.0403","","","0.1084","0.1253","","","","","","1.003","","","","has coordinates","185229","2020-10-21","18:00:00",""
"7225001","21.563","0.005","14.172","0.005","13.642","0.005","90","","106.815","0.005","90","","3991","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32.2 H39.8 Cd N10.4 O8.4 -","- C22 H16 Cd N7 O5 -","- C88 H64 Cd4 N28 O20 -","4","1","","Yang, Liu; Li, Xiao; Qin, Chao; Shao, Kui-Zhan; Su, Zhong-Min","A fluorescent sensor for highly selective sensing of nitro explosives and Hg(ii) ions based on a 3D porous layer metal‒organic framework","CrystEngComm","2016","18","25","4765","","10.1039/C6CE00745G","","","0.71069","MoKα","","0.0545","0.0373","","","0.0904","0.0935","","","","","","1.04","","","","has coordinates","185210","2020-10-21","18:00:00",""
"7225002","8.522","0.0002","15.459","0.0001","15.7009","0.0002","90","","122.166","0.001","90","","1750.97","0.05","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 N6 O S2 Zn -","- C15 H12 N6 O S2 Zn -","- C60 H48 N24 O4 S8 Zn4 -","4","1","","Afkhami, Farhad Akbari; Khandar, Ali Akbar; Mahmoudi, Ghodrat; Maniukiewicz, Waldemar; Lipkowski, Janusz; White, Jonathan M.; Waterman, Rory; García-Granda, Santiago; Zangrando, Ennio; Bauzá, Antonio; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis of Zn(ii) and Cd(ii) complexes based on isonicotinoylhydrazone ligand","CrystEngComm","2016","18","24","4587","","10.1039/C6CE00877A","","","1.5418","CuKα","","0.0357","0.0282","","","0.0662","0.0697","","","","","","1.06","","","","has coordinates","185225","2020-10-21","18:00:00",""
"7225003","27.2384","0.001","12.3781","0.0002","23.7446","0.0009","90","","133.803","0.007","90","","5777.9","0.7","100","1","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H26 N10 O9 Zn -","- C26 H25.192 N10 O8.596 Zn -","- C208 H201.536 N80 O68.768 Zn8 -","8","1","","Afkhami, Farhad Akbari; Khandar, Ali Akbar; Mahmoudi, Ghodrat; Maniukiewicz, Waldemar; Lipkowski, Janusz; White, Jonathan M.; Waterman, Rory; García-Granda, Santiago; Zangrando, Ennio; Bauzá, Antonio; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis of Zn(ii) and Cd(ii) complexes based on isonicotinoylhydrazone ligand","CrystEngComm","2016","18","24","4587","","10.1039/C6CE00877A","","","0.71073","MoKα","","0.0303","0.0274","","","0.0626","0.0637","","","","","","1.028","","","","has coordinates","185225","2020-10-21","18:00:00",""
"7225004","12.4748","0.0003","19.5344","0.0003","10.0185","0.0002","90","","90","","90","","2441.39","0.09","130","0.1","130","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C26 H22 Cd N8 O2 -","- C26 H22 Cd N8 O2 -","- C104 H88 Cd4 N32 O8 -","4","1","","Afkhami, Farhad Akbari; Khandar, Ali Akbar; Mahmoudi, Ghodrat; Maniukiewicz, Waldemar; Lipkowski, Janusz; White, Jonathan M.; Waterman, Rory; García-Granda, Santiago; Zangrando, Ennio; Bauzá, Antonio; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis of Zn(ii) and Cd(ii) complexes based on isonicotinoylhydrazone ligand","CrystEngComm","2016","18","24","4587","","10.1039/C6CE00877A","","","0.7107","MoKα","","0.0418","0.0289","","","0.0639","0.0711","","","","","","1.048","","","","has coordinates","185225","2020-10-21","18:00:00",""
"7225005","7.5604","0.0003","8.0042","0.0003","15.2219","0.0006","93.114","0.002","103.265","0.002","115.536","0.002","796.58","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H12 I2 N4 O Zn -","- C13 H12 I2 N4 O Zn -","- C26 H24 I4 N8 O2 Zn2 -","2","1","","Afkhami, Farhad Akbari; Khandar, Ali Akbar; Mahmoudi, Ghodrat; Maniukiewicz, Waldemar; Lipkowski, Janusz; White, Jonathan M.; Waterman, Rory; García-Granda, Santiago; Zangrando, Ennio; Bauzá, Antonio; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis of Zn(ii) and Cd(ii) complexes based on isonicotinoylhydrazone ligand","CrystEngComm","2016","18","24","4587","","10.1039/C6CE00877A","","","0.71073","MoKα","","0.038","0.0276","","","0.0613","0.0649","","","","","","1.033","","","","has coordinates","185225","2020-10-21","18:00:00",""
"7225006","7.5331","0.0009","7.832","0.001","14.7352","0.0018","93.269","0.001","103.01","0.001","116.005","0.001","749.16","0.16","132","2","132","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H12 Br2 N4 O Zn -","- C13 H12 Br2 N4 O Zn -","- C26 H24 Br4 N8 O2 Zn2 -","2","1","","Afkhami, Farhad Akbari; Khandar, Ali Akbar; Mahmoudi, Ghodrat; Maniukiewicz, Waldemar; Lipkowski, Janusz; White, Jonathan M.; Waterman, Rory; García-Granda, Santiago; Zangrando, Ennio; Bauzá, Antonio; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis of Zn(ii) and Cd(ii) complexes based on isonicotinoylhydrazone ligand","CrystEngComm","2016","18","24","4587","","10.1039/C6CE00877A","","","0.71073","MoKα","","0.0283","0.0217","","","0.0488","0.0508","","","","","","1.044","","","","has coordinates","185225","2020-10-21","18:00:00",""
"7225007","8.874","0.003","15.738","0.005","15.117","0.007","90","","95.4","0.02","90","","2101.9","1.4","100","1","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 Cd I2 N4 O3 -","- C15 H20 Cd I2 N4 O3 -","- C60 H80 Cd4 I8 N16 O12 -","4","1","","Afkhami, Farhad Akbari; Khandar, Ali Akbar; Mahmoudi, Ghodrat; Maniukiewicz, Waldemar; Lipkowski, Janusz; White, Jonathan M.; Waterman, Rory; García-Granda, Santiago; Zangrando, Ennio; Bauzá, Antonio; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis of Zn(ii) and Cd(ii) complexes based on isonicotinoylhydrazone ligand","CrystEngComm","2016","18","24","4587","","10.1039/C6CE00877A","","","0.71073","MoKα","","0.021","0.0203","","","0.0507","0.051","","","","","","1.161","","","","has coordinates","185225","2020-10-21","18:00:00",""
"7225008","7.8599","0.0001","14.8149","0.0002","15.7341","0.0002","90","","93.383","0.001","90","","1828.94","0.04","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 Br2 Cd N4 O2 -","- C14 H16 Br2 Cd N4 O2 -","- C56 H64 Br8 Cd4 N16 O8 -","4","1","","Afkhami, Farhad Akbari; Khandar, Ali Akbar; Mahmoudi, Ghodrat; Maniukiewicz, Waldemar; Lipkowski, Janusz; White, Jonathan M.; Waterman, Rory; García-Granda, Santiago; Zangrando, Ennio; Bauzá, Antonio; Frontera, Antonio","Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis of Zn(ii) and Cd(ii) complexes based on isonicotinoylhydrazone ligand","CrystEngComm","2016","18","24","4587","","10.1039/C6CE00877A","","","0.71073","MoKα","","0.028","0.0218","","","0.041","0.0427","","","","","","1.06","","","","has coordinates,has disorder","185225","2020-10-21","18:00:00",""
"7225009","26.559","0.0016","27.6534","0.0016","21.9738","0.0012","90","","120.836","0.001","90","","13857.2","1.4","296","2","296","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C34 H52 N51 O89 Si2 W24 Zn12.5 -","- C34 H35 N51 O89 Si2 W24 Zn12.5 -","- C136 H140 N204 O356 Si8 W96 Zn50 -","4","0.5","","Zhou, En-Long; Qin, Chao; Wang, Xin-Long; Shao, Kui-Zhan; Su, Zhong-Min","Assembly of two novel 3D organic‒inorganic hybrids based on Keggin-type polyoxometalates: syntheses, crystal structures and properties","CrystEngComm","2016","18","34","6370","","10.1039/C6CE00021E","","","0.71073","MoKα","","0.0874","0.0547","","","0.1268","0.1462","","","","","","1.013","","","","has coordinates,has disorder","186358","2020-10-21","18:00:00",""
"7225010","18.517","0.0008","15.842","0.0011","26.966","0.005","90","0.001","92.78","0.001","90","0.001","7901.1","1.6","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H40 N10 O54 Pb2 Si W12 -","- C50 H40 N10 O54 Pb2 Si W12 -","- C200 H160 N40 O216 Pb8 Si4 W48 -","4","1","","Zhou, En-Long; Qin, Chao; Wang, Xin-Long; Shao, Kui-Zhan; Su, Zhong-Min","Assembly of two novel 3D organic‒inorganic hybrids based on Keggin-type polyoxometalates: syntheses, crystal structures and properties","CrystEngComm","2016","18","34","6370","","10.1039/C6CE00021E","","","0.71069","MoKα","","0.0508","0.032","","","0.0549","0.0599","","","","","","1.011","","","","has coordinates","186358","2020-10-21","18:00:00",""
"7225038","13.883","0.003","5.6927","0.0011","13.226","0.003","90","","90.43","0.03","90","","1045.2","0.4","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-tellura-1,3-dithiaferrocenophane","","- C10 H8 Fe S2 Te -","- C10 H8 Fe S2 Te -","- C40 H32 Fe4 S8 Te4 -","4","1","","Karjalainen, Minna M.; Sanchez-Perez, Clara; Rautiainen, J. Mikko; Oilunkaniemi, Raija; Laitinen, Risto S.","Chalcogen‒chalcogen secondary bonding interactions in trichalcogenaferrocenophanes","CrystEngComm","2016","18","24","4538","","10.1039/C6CE00451B","","","0.71073","MoKα","","0.0319","0.0281","","","0.0759","0.0793","","","","","","1.041","","","","has coordinates","185215","2020-10-21","18:00:00",""
"7225039","11.705","0.002","9.7452","0.0019","9.1003","0.0018","90","","90","","90","","1038","0.3","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","1,3-diselena-2-thia-ferrocenophane","","- C10 H8 Fe S Se2 -","- C10 H8 Fe S Se2 -","- C40 H32 Fe4 S4 Se8 -","4","1","","Karjalainen, Minna M.; Sanchez-Perez, Clara; Rautiainen, J. Mikko; Oilunkaniemi, Raija; Laitinen, Risto S.","Chalcogen‒chalcogen secondary bonding interactions in trichalcogenaferrocenophanes","CrystEngComm","2016","18","24","4538","","10.1039/C6CE00451B","","","0.71073","MoKα","","0.0457","0.0386","","","0.0882","0.0928","","","","","","1.072","","","","has coordinates","185215","2020-10-21","18:00:00",""
"7225040","14.174","0.003","5.798","0.0012","13.574","0.003","90","","90.19","0.03","90","","1115.5","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,3-diselena-2-telluraferrocenophane","","- C10 H8 Fe Se2 Te -","- C10 H8 Fe Se2 Te -","- C40 H32 Fe4 Se8 Te4 -","4","1","","Karjalainen, Minna M.; Sanchez-Perez, Clara; Rautiainen, J. Mikko; Oilunkaniemi, Raija; Laitinen, Risto S.","Chalcogen‒chalcogen secondary bonding interactions in trichalcogenaferrocenophanes","CrystEngComm","2016","18","24","4538","","10.1039/C6CE00451B","","","0.71073","MoKα","","0.0721","0.0483","","","0.1023","0.1166","","","","","","1.095","","","","has coordinates","185215","2020-10-21","18:00:00",""
"7225041","13.514","0.003","10.494","0.002","16.226","0.003","90","","90","","90","","2301.1","0.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1,3-ditellura-2-thiaferrocenophane","","- C10 H8 Fe S Te2 -","- C10 H8 Fe S Te2 -","- C80 H64 Fe8 S8 Te16 -","8","1","","Karjalainen, Minna M.; Sanchez-Perez, Clara; Rautiainen, J. Mikko; Oilunkaniemi, Raija; Laitinen, Risto S.","Chalcogen‒chalcogen secondary bonding interactions in trichalcogenaferrocenophanes","CrystEngComm","2016","18","24","4538","","10.1039/C6CE00451B","","","0.71073","MoKα","","0.1264","0.0683","","","0.0819","0.0933","","","","","","1.168","","","","has coordinates","185215","2020-10-21","18:00:00",""
"7225042","11.8549","0.0013","16.4789","0.0018","17.32","0.0019","90","","101.091","0.002","90","","3320.4","0.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","L-tyrosiniumpolyiodide hydrate","compound 1","","- C18 H25 I8 N2 O6.5 -","- C18 H25 I8 N2 O6.5 -","- C72 H100 I32 N8 O26 -","4","2","","Lamberts, Kevin; Handels, Philipp; Englert, Ulli; Aubert, Emmanuel; Espinosa, Enrique","Stabilization of polyiodide chains via anion⋯anion interactions: experiment and theory","CrystEngComm","2016","18","21","3832","","10.1039/C6CE00396F","","","0.71073","MoKα","","0.0555","0.0494","","","0.1241","0.1301","","","","","","1.051","","","","has coordinates","194155","2020-10-21","18:00:00",""
"7225043","9.4953","0.0004","7.4545","0.0004","23.2683","0.001","90","","92.551","0.004","90","","1645.36","0.13","190","","190","","","","100","","","","","5","P 1 21/c 1","-P 2ybc","14","","agomelatine hemitriiodide","","- C15 H17.5 I1.5 N O2 -","- C15 H17.5 I1.5 N O2 -","- C60 H70 I6 N4 O8 -","4","1","","Skořepová, Eliška; Hušák, Michal; Ridvan, Luděk; Tkadlecová, Marcela; Havlíček, Jaroslav; Dušek, Michal","Iodine salts of the pharmaceutical compound agomelatine: the effect of the symmetric H-bond on amide protonation","CrystEngComm","2016","18","24","4518","","10.1039/C6CE00304D","","","1.5418","CuKα","","0.048","0.045","","0.1345","0.1296","0.1345","","","","","","0.9861","","","","has coordinates","185217","2020-10-21","18:00:00",""
"7225044","13.5939","0.0011","7.2782","0.0005","19.7522","0.0016","90","","109.567","0.009","90","","1841.4","0.3","301","","301","","","","100","","","","","5","P 1 21/c 1","-P 2ybc","14","","agomelatine hydriodide trihydrate","","- C15 H24 I N O5 -","- C15 H24 I N O5 -","- C60 H96 I4 N4 O20 -","4","1","","Skořepová, Eliška; Hušák, Michal; Ridvan, Luděk; Tkadlecová, Marcela; Havlíček, Jaroslav; Dušek, Michal","Iodine salts of the pharmaceutical compound agomelatine: the effect of the symmetric H-bond on amide protonation","CrystEngComm","2016","18","24","4518","","10.1039/C6CE00304D","","","0.71073","MoKα","","0.0793","0.0565","","0.1356","0.1201","0.1356","","","","","","0.9748","","","","has coordinates","185217","2020-10-21","18:00:00",""
"7225045","13.1828","0.0004","14.6064","0.0005","18.7024","0.0012","89.99","0.004","75.962","0.004","73.901","0.003","3347.9","0.3","100.01","0.1","100.01","","","","","","","","","5","P -1","-P 1","2","agomelatine iodine ‒ triiodide","agomelatine hemitriiodide iodine","","- C60 H68 I8 N4 O8 -","- C60 H70 I8 N4 O8 -","- C120 H140 I16 N8 O16 -","2","1","","Skořepová, Eliška; Hušák, Michal; Ridvan, Luděk; Tkadlecová, Marcela; Havlíček, Jaroslav; Dušek, Michal","Iodine salts of the pharmaceutical compound agomelatine: the effect of the symmetric H-bond on amide protonation","CrystEngComm","2016","18","24","4518","","10.1039/C6CE00304D","","x-ray","0.71073","MoKα","","0.0229","0.0181","","","0.0443","0.0467","","","","1.17","1.17","1.15","","","","has coordinates","185217","2020-10-21","18:00:00",""
"7225046","13.6238","0.001","14.4019","0.001","16.3902","0.0012","78.797","0.001","77.346","0.001","65.537","0.001","2836.6","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C132 H84 N18 Nd2 O17 -","- C132 H84 N18 Nd2 O17 -","- C132 H84 N18 Nd2 O17 -","1","0.5","","Xu, Bing; Cheng, Yue; Hu, Huai-Ming; Bai, Chao; Wang, Xiaofang; Yang, Meng-Lin; Xue, Ganglin","Syntheses, crystal structures and luminescence properties of lanthanide-based coordination polymers constructed from a functionalized terpyridyl carboxylate ligand","CrystEngComm","2016","18","24","4613","","10.1039/C6CE00681G","","","0.71073","MoKα","","0.0589","0.0478","","","0.1271","0.1378","","","","","","0.951","","","","has coordinates","185218","2020-10-21","18:00:00",""
"7225047","13.6332","0.0018","14.3983","0.0019","16.347","0.002","78.969","0.003","77.335","0.003","65.518","0.002","2831","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C132 H84 N18 O17 Sm2 -","- C132 H84 N18 O17 Sm2 -","- C132 H84 N18 O17 Sm2 -","1","0.5","","Xu, Bing; Cheng, Yue; Hu, Huai-Ming; Bai, Chao; Wang, Xiaofang; Yang, Meng-Lin; Xue, Ganglin","Syntheses, crystal structures and luminescence properties of lanthanide-based coordination polymers constructed from a functionalized terpyridyl carboxylate ligand","CrystEngComm","2016","18","24","4613","","10.1039/C6CE00681G","","","0.71073","MoKα","","0.1106","0.0699","","","0.1269","0.1495","","","","","","0.967","","","","has coordinates","185218","2020-10-21","18:00:00",""
"7225048","13.659","0.003","14.392","0.003","16.317","0.003","78.947","0.003","77.37","0.004","65.555","0.004","2830.8","1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C132 H84 Eu2 N18 O17 -","- C132 H84 Eu2 N18 O17 -","- C132 H84 Eu2 N18 O17 -","1","0.5","","Xu, Bing; Cheng, Yue; Hu, Huai-Ming; Bai, Chao; Wang, Xiaofang; Yang, Meng-Lin; Xue, Ganglin","Syntheses, crystal structures and luminescence properties of lanthanide-based coordination polymers constructed from a functionalized terpyridyl carboxylate ligand","CrystEngComm","2016","18","24","4613","","10.1039/C6CE00681G","","","0.71073","MoKα","","0.1129","0.0898","","","0.1854","0.2028","","","","","","1.083","","","","has coordinates","185218","2020-10-21","18:00:00",""
"7225049","13.616","0.003","14.396","0.003","16.304","0.003","78.978","0.004","77.352","0.004","65.513","0.003","2819.6","1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C132 H88 Gd2 N18 O17 -","- C132 H88 Gd2 N18 O17 -","- C132 H88 Gd2 N18 O17 -","1","0.5","","Xu, Bing; Cheng, Yue; Hu, Huai-Ming; Bai, Chao; Wang, Xiaofang; Yang, Meng-Lin; Xue, Ganglin","Syntheses, crystal structures and luminescence properties of lanthanide-based coordination polymers constructed from a functionalized terpyridyl carboxylate ligand","CrystEngComm","2016","18","24","4613","","10.1039/C6CE00681G","","","0.71073","MoKα","","0.1096","0.0599","","","0.0935","0.112","","","","","","0.937","","","","has coordinates","185218","2020-10-21","18:00:00",""
"7225050","13.6431","0.0017","14.3607","0.0019","16.245","0.002","79.042","0.002","77.557","0.002","65.639","0.002","2812.9","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C132 H88 N18 O17 Tb2 -","- C132 H88 N18 O17 Tb2 -","- C132 H88 N18 O17 Tb2 -","1","0.5","","Xu, Bing; Cheng, Yue; Hu, Huai-Ming; Bai, Chao; Wang, Xiaofang; Yang, Meng-Lin; Xue, Ganglin","Syntheses, crystal structures and luminescence properties of lanthanide-based coordination polymers constructed from a functionalized terpyridyl carboxylate ligand","CrystEngComm","2016","18","24","4613","","10.1039/C6CE00681G","","","0.71073","MoKα","","0.0535","0.0416","","","0.0935","0.1013","","","","","","1.027","","","","has coordinates","185218","2020-10-21","18:00:00",""
"7225051","13.6739","0.0008","14.3581","0.0008","16.2252","0.0009","79.064","0.001","77.579","0.001","65.711","0.001","2817.2","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C132 H84 Dy2 N18 O17 -","- C132 H84 Dy2 N18 O17 -","- C132 H84 Dy2 N18 O17 -","1","0.5","","Xu, Bing; Cheng, Yue; Hu, Huai-Ming; Bai, Chao; Wang, Xiaofang; Yang, Meng-Lin; Xue, Ganglin","Syntheses, crystal structures and luminescence properties of lanthanide-based coordination polymers constructed from a functionalized terpyridyl carboxylate ligand","CrystEngComm","2016","18","24","4613","","10.1039/C6CE00681G","","","0.71073","MoKα","","0.0524","0.0417","","","0.105","0.1155","","","","","","1.037","","","","has coordinates","185218","2020-10-21","18:00:00",""
"7225052","13.6709","0.0018","14.3413","0.0018","16.202","0.002","79.129","0.002","77.703","0.002","65.706","0.002","2810.6","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C132 H88 Ho2 N18 O17 -","- C132 H88 Ho2 N18 O17 -","- C132 H88 Ho2 N18 O17 -","1","0.5","","Xu, Bing; Cheng, Yue; Hu, Huai-Ming; Bai, Chao; Wang, Xiaofang; Yang, Meng-Lin; Xue, Ganglin","Syntheses, crystal structures and luminescence properties of lanthanide-based coordination polymers constructed from a functionalized terpyridyl carboxylate ligand","CrystEngComm","2016","18","24","4613","","10.1039/C6CE00681G","","","0.71073","MoKα","","0.0706","0.0506","","","0.11","0.1213","","","","","","1.003","","","","has coordinates","185218","2020-10-21","18:00:00",""
"7225053","13.6968","0.0015","14.3565","0.0017","16.2082","0.0017","79.075","0.002","77.696","0.002","65.666","0.002","2818.7","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C132 H88 Er2 N18 O17 -","- C132 H88 Er2 N18 O17 -","- C132 H88 Er2 N18 O17 -","1","0.5","","Xu, Bing; Cheng, Yue; Hu, Huai-Ming; Bai, Chao; Wang, Xiaofang; Yang, Meng-Lin; Xue, Ganglin","Syntheses, crystal structures and luminescence properties of lanthanide-based coordination polymers constructed from a functionalized terpyridyl carboxylate ligand","CrystEngComm","2016","18","24","4613","","10.1039/C6CE00681G","","","0.71073","MoKα","","0.0704","0.0492","","","0.1063","0.1222","","","","","","1.051","","","","has coordinates","185218","2020-10-21","18:00:00",""
"7225054","13.6997","0.0017","14.3367","0.0018","16.203","0.002","79.004","0.002","77.826","0.002","65.631","0.002","2814.4","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C132 H88 N18 O17 Yb2 -","- C132 H88 N18 O17 Yb2 -","- C132 H88 N18 O17 Yb2 -","1","0.5","","Xu, Bing; Cheng, Yue; Hu, Huai-Ming; Bai, Chao; Wang, Xiaofang; Yang, Meng-Lin; Xue, Ganglin","Syntheses, crystal structures and luminescence properties of lanthanide-based coordination polymers constructed from a functionalized terpyridyl carboxylate ligand","CrystEngComm","2016","18","24","4613","","10.1039/C6CE00681G","","","0.71073","MoKα","","0.0539","0.0412","","","0.0893","0.0948","","","","","","0.98","","","","has coordinates","185218","2020-10-21","18:00:00",""
"7225055","8.3992","0.0007","9.6188","0.0008","17.1946","0.0014","80.489","0.001","81.363","0.001","80.311","0.001","1339.78","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H36 N6 O25 Pr2 -","- C48 H36 N6 O25 Pr2 -","- C48 H36 N6 O25 Pr2 -","1","0.5","","Xu, Bing; Cheng, Yue; Hu, Huai-Ming; Bai, Chao; Wang, Xiaofang; Yang, Meng-Lin; Xue, Ganglin","Syntheses, crystal structures and luminescence properties of lanthanide-based coordination polymers constructed from a functionalized terpyridyl carboxylate ligand","CrystEngComm","2016","18","24","4613","","10.1039/C6CE00681G","","","0.71073","MoKα","","0.032","0.0291","","","0.0684","0.0698","","","","","","1.059","","","","has coordinates","185218","2020-10-21","18:00:00",""
"7225056","7.8172","0.0008","10.1764","0.001","16.325","0.0017","82.035","0.001","86.015","0.001","69.337","0.001","1203.1","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H44 N6 O14 Pr2 -","- C54 H44 N6 O14 Pr2 -","- C54 H44 N6 O14 Pr2 -","1","0.5","","Xu, Bing; Cheng, Yue; Hu, Huai-Ming; Bai, Chao; Wang, Xiaofang; Yang, Meng-Lin; Xue, Ganglin","Syntheses, crystal structures and luminescence properties of lanthanide-based coordination polymers constructed from a functionalized terpyridyl carboxylate ligand","CrystEngComm","2016","18","24","4613","","10.1039/C6CE00681G","","","0.71073","MoKα","","0.0355","0.0348","","","0.0936","0.0943","","","","","","1.089","","","","has coordinates","185218","2020-10-21","18:00:00",""
"7225057","8.2486","0.0003","8.2486","0.0003","65.782","0.004","90","","90","","90","","4475.8","0.4","296","2","296","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C108 H80 Er4 N12 O24 -","- C108 H80 Er4 N12 O24 -","- C216 H160 Er8 N24 O48 -","2","0.25","","Xu, Bing; Cheng, Yue; Hu, Huai-Ming; Bai, Chao; Wang, Xiaofang; Yang, Meng-Lin; Xue, Ganglin","Syntheses, crystal structures and luminescence properties of lanthanide-based coordination polymers constructed from a functionalized terpyridyl carboxylate ligand","CrystEngComm","2016","18","24","4613","","10.1039/C6CE00681G","","","0.71073","MoKα","","0.0288","0.0278","","","0.0802","0.0808","","","","","","1.072","","","","has coordinates","185218","2020-10-21","18:00:00",""
"7225058","8.959","0.0006","11.0509","0.0007","14.1615","0.0009","81.507","0.001","76.996","0.001","67.683","0.001","1260.76","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H44 N6 Nd2 O12 -","- C56 H44 N6 Nd2 O12 -","- C56 H44 N6 Nd2 O12 -","1","0.5","","Xu, Bing; Cheng, Yue; Hu, Huai-Ming; Bai, Chao; Wang, Xiaofang; Yang, Meng-Lin; Xue, Ganglin","Syntheses, crystal structures and luminescence properties of lanthanide-based coordination polymers constructed from a functionalized terpyridyl carboxylate ligand","CrystEngComm","2016","18","24","4613","","10.1039/C6CE00681G","","","0.71073","MoKα","","0.0249","0.0231","","","0.0508","0.0521","","","","","","1.036","","","","has coordinates","185218","2020-10-21","18:00:00",""
"7225059","8.6593","0.0009","11.3825","0.0012","14.6811","0.0015","69.244","0.002","73.365","0.002","82.764","0.002","1296","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H40 Eu2 N6 O14 -","- C60 H40 Eu2 N6 O14 -","- C60 H40 Eu2 N6 O14 -","1","0.5","","Xu, Bing; Cheng, Yue; Hu, Huai-Ming; Bai, Chao; Wang, Xiaofang; Yang, Meng-Lin; Xue, Ganglin","Syntheses, crystal structures and luminescence properties of lanthanide-based coordination polymers constructed from a functionalized terpyridyl carboxylate ligand","CrystEngComm","2016","18","24","4613","","10.1039/C6CE00681G","","","0.71073","MoKα","","0.0275","0.0241","","","0.053","0.0544","","","","","","1.048","","","","has coordinates","185218","2020-10-21","18:00:00",""
"7225060","8.6566","0.0011","11.3992","0.0015","14.6846","0.0018","69.373","0.002","73.559","0.002","82.771","0.002","1300.2","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H40 Gd2 N6 O14 -","- C60 H40 Gd2 N6 O14 -","- C60 H40 Gd2 N6 O14 -","1","0.5","","Xu, Bing; Cheng, Yue; Hu, Huai-Ming; Bai, Chao; Wang, Xiaofang; Yang, Meng-Lin; Xue, Ganglin","Syntheses, crystal structures and luminescence properties of lanthanide-based coordination polymers constructed from a functionalized terpyridyl carboxylate ligand","CrystEngComm","2016","18","24","4613","","10.1039/C6CE00681G","","","0.71073","MoKα","","0.0318","0.0285","","","0.0575","0.0592","","","","","","1.087","","","","has coordinates","185218","2020-10-21","18:00:00",""
"7225061","8.5902","0.0005","11.3902","0.0007","14.602","0.0009","69.573","0.001","73.741","0.001","82.79","0.001","1284.72","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H40 Er2 N6 O14 -","- C60 H40 Er2 N6 O14 -","- C60 H40 Er2 N6 O14 -","1","0.5","","Xu, Bing; Cheng, Yue; Hu, Huai-Ming; Bai, Chao; Wang, Xiaofang; Yang, Meng-Lin; Xue, Ganglin","Syntheses, crystal structures and luminescence properties of lanthanide-based coordination polymers constructed from a functionalized terpyridyl carboxylate ligand","CrystEngComm","2016","18","24","4613","","10.1039/C6CE00681G","","","0.71073","MoKα","","0.0267","0.0239","","","0.0505","0.0518","","","","","","1.029","","","","has coordinates","185218","2020-10-21","18:00:00",""
"7225062","19.5429","0.0008","4.7197","0.0001","17.2626","0.0007","90","","114.668","0.005","90","","1446.94","0.11","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H40 N2 O12 P4 -","- C22 H40 N2 O12 P4 -","- C44 H80 N4 O24 P8 -","2","0.5","","van Megen, M.; Frank, W.; Reiss, G. J.","A detailed comparative structural study of the hydrogen bonded networks in solids, obtained by the reaction of 4,4′-bipyridine and varied alkane-α,ω-diphosphonic acids","CrystEngComm","2016","18","20","3574","","10.1039/C5CE02156A","","","0.71073","MoKα","","0.0353","0.0335","","","0.0686","0.0692","","","","","","1.306","","","","has coordinates","185238","2020-10-21","18:00:00",""
"7225063","9.8401","0.0004","12.0388","0.0005","15.2173","0.0005","95.386","0.003","106.844","0.003","112.289","0.004","1553.6","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H18 N2 O6 P2 -","- C13 H18 N2 O6 P2 -","- C52 H72 N8 O24 P8 -","4","2","","van Megen, M.; Frank, W.; Reiss, G. J.","A detailed comparative structural study of the hydrogen bonded networks in solids, obtained by the reaction of 4,4′-bipyridine and varied alkane-α,ω-diphosphonic acids","CrystEngComm","2016","18","20","3574","","10.1039/C5CE02156A","","","0.71073","MoKα","","0.0593","0.0406","","","0.0851","0.092","","","","","","1.042","","","","has coordinates","185238","2020-10-21","18:00:00",""
"7225064","9.1052","0.0002","9.5324","0.0003","20.3596","0.0006","79.976","0.002","86.857","0.002","69.836","0.002","1633.45","0.08","105","2","105","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H48 N2 O12 P4 -","- C26 H48 N2 O12 P4 -","- C52 H96 N4 O24 P8 -","2","1","","van Megen, M.; Frank, W.; Reiss, G. J.","A detailed comparative structural study of the hydrogen bonded networks in solids, obtained by the reaction of 4,4′-bipyridine and varied alkane-α,ω-diphosphonic acids","CrystEngComm","2016","18","20","3574","","10.1039/C5CE02156A","","","0.71073","MoKα","","0.0344","0.0297","","","0.0883","0.0912","","","","","","1.046","","","","has coordinates","185238","2020-10-21","18:00:00",""
"7225065","42.86","0.009","11.426","0.002","7.3826","0.0015","90","","90.59","0.03","90","","3615.2","1.2","173","2","173","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C28 H52 N2 O12 P4 -","- C28 H52 N2 O12 P4 -","- C112 H208 N8 O48 P16 -","4","2","","van Megen, M.; Frank, W.; Reiss, G. J.","A detailed comparative structural study of the hydrogen bonded networks in solids, obtained by the reaction of 4,4′-bipyridine and varied alkane-α,ω-diphosphonic acids","CrystEngComm","2016","18","20","3574","","10.1039/C5CE02156A","","","0.71073","MoKα","","0.0598","0.0504","","","0.1039","0.1079","","","","","","1.131","","","","has coordinates","185238","2020-10-21","18:00:00",""
"7225066","9.1687","0.0004","9.605","0.0004","17.9827","0.0007","79.13","0.003","89.668","0.003","70.32","0.003","1461.54","0.11","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H40 N2 O12 P4 -","- C22 H40 N2 O12 P4 -","- C44 H80 N4 O24 P8 -","2","1","","van Megen, M.; Frank, W.; Reiss, G. J.","A detailed comparative structural study of the hydrogen bonded networks in solids, obtained by the reaction of 4,4′-bipyridine and varied alkane-α,ω-diphosphonic acids","CrystEngComm","2016","18","20","3574","","10.1039/C5CE02156A","","","0.71073","MoKα","","0.0424","0.034","","","0.0875","0.093","","","","","","1.049","","","","has coordinates","185238","2020-10-21","18:00:00",""
"7225067","23.4234","0.0007","4.64205","0.00013","16.9643","0.0005","90","","104.72","0.003","90","","1784.03","0.09","106","2","106","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H28 N O6 P2 -","- C15 H28 N O6 P2 -","- C60 H112 N4 O24 P8 -","4","1","","van Megen, M.; Frank, W.; Reiss, G. J.","A detailed comparative structural study of the hydrogen bonded networks in solids, obtained by the reaction of 4,4′-bipyridine and varied alkane-α,ω-diphosphonic acids","CrystEngComm","2016","18","20","3574","","10.1039/C5CE02156A","","","0.71073","MoKα","","0.0694","0.0435","","","0.0888","0.0974","","","","","","1.019","","","","has coordinates","185238","2020-10-21","18:00:00",""
"7225068","4.7551","0.0001","8.7442","0.0003","22.6864","0.0008","81.639","0.003","87.13","0.003","88.196","0.003","931.81","0.05","122","2","122","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H30 N O6 P2 -","- C16 H30 N O6 P2 -","- C32 H60 N2 O12 P4 -","2","1","","van Megen, M.; Frank, W.; Reiss, G. J.","A detailed comparative structural study of the hydrogen bonded networks in solids, obtained by the reaction of 4,4′-bipyridine and varied alkane-α,ω-diphosphonic acids","CrystEngComm","2016","18","20","3574","","10.1039/C5CE02156A","","","0.71073","MoKα","","0.0464","0.0375","","","0.0909","0.0967","","","","","","1.049","","","","has coordinates","185238","2020-10-21","18:00:00",""
"7225069","9.1869","0.0018","9.2725","0.0019","24.348","0.005","83.68","0.03","81.01","0.03","81.4","0.03","2017.6","0.7","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H64 N2 O12 P4 -","- C34 H64 N2 O12 P4 -","- C68 H128 N4 O24 P8 -","2","1","","van Megen, M.; Frank, W.; Reiss, G. J.","A detailed comparative structural study of the hydrogen bonded networks in solids, obtained by the reaction of 4,4′-bipyridine and varied alkane-α,ω-diphosphonic acids","CrystEngComm","2016","18","20","3574","","10.1039/C5CE02156A","","","0.71073","MoKα","","0.0892","0.0717","","","0.1843","0.1933","","","","","","1.115","","","","has coordinates","185238","2020-10-21","18:00:00",""
"7225070","13.0898","0.0015","13.0898","0.0015","16.96","0.003","90","","90","","90","","2906","0.7","293","2","293","2","","","","","","","","8","P 4/n :2","-P 4a","85","","","","- C60 H60 B Cl F4 N8 O8 Re2 -","- C60 H60 B Cl F4 N8 O8 Re3 -","- C120 H120 B2 Cl2 F8 N16 O16 Re6 -","2","0.25","","Zhu, Xian-Dong; Li, Yong; Zhou, Wei-Xiang; Liu, Rong-Mei; Ding, Yu-Jie; Lü, Jian; Proserpio, Davide M.","Metal‒organic frameworks assembled from flexible alicyclic carboxylate and bipyridyl ligands for sensing of nitroaromatic explosives","CrystEngComm","2016","18","24","4530","","10.1039/C6CE00882H","","","0.71073","MoKα","","0.0691","0.0367","","","0.0996","0.1224","","","","","","1.315","","","","has coordinates","185223","2020-10-21","18:00:00",""
"7225071","8.7092","0.0007","17.5095","0.0015","12.4774","0.001","90","","90","","90","","1902.7","0.3","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C20 H24 Cd N2 O5 -","- C20 H22 Cd N2 O5 -","- C80 H88 Cd4 N8 O20 -","4","1","","Zhu, Xian-Dong; Li, Yong; Zhou, Wei-Xiang; Liu, Rong-Mei; Ding, Yu-Jie; Lü, Jian; Proserpio, Davide M.","Metal‒organic frameworks assembled from flexible alicyclic carboxylate and bipyridyl ligands for sensing of nitroaromatic explosives","CrystEngComm","2016","18","24","4530","","10.1039/C6CE00882H","","","0.71073","MoKα","","0.0317","0.0237","","","0.0636","0.0834","","","","","","1.198","","","","has coordinates","185223","2020-10-21","18:00:00",""
"7225072","10.0056","0.0005","10.264","0.0005","22.7508","0.001","84.883","0.004","81.606","0.004","63.403","0.005","2066.07","0.19","100","0.3","100","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C42 H48 Cd2 N4 O8 -","- C42 H48 Cd2 N4 O8 -","- C84 H96 Cd4 N8 O16 -","2","1","","Zhu, Xian-Dong; Li, Yong; Zhou, Wei-Xiang; Liu, Rong-Mei; Ding, Yu-Jie; Lü, Jian; Proserpio, Davide M.","Metal‒organic frameworks assembled from flexible alicyclic carboxylate and bipyridyl ligands for sensing of nitroaromatic explosives","CrystEngComm","2016","18","24","4530","","10.1039/C6CE00882H","","","1.54178","CuKα","","0.0642","0.045","","","0.1058","0.1179","","","","","","1.014","","","","has coordinates,has disorder","185223","2020-10-21","18:00:00",""
"7225079","9.2607","0.0002","12.0677","0.0003","31.0183","0.0007","90","","97.604","0.003","90","","3435.98","0.14","285.9","0.6","285.9","0.6","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Co3 N4 O10 -","- C24 H18 Co3 N4 O10 -","- C96 H72 Co12 N16 O40 -","4","1","","Chen, Di-Ming; Tian, Jia-Yue; Liu, Chun-Sen; Du, Miao","A CoII-based metal‒organic framework based on [Co6(μ3-OH)4] units exhibiting selective sorption of C2H2over CO2and CH4","CrystEngComm","2016","18","21","3760","","10.1039/C6CE00709K","","x-ray","0.71","MoKα","","0.0836","0.0582","","","0.1905","0.2157","","","","","","1.094","","","","has coordinates,has disorder","185244","2020-10-21","18:00:00",""
"7225080","9.9523","0.0007","9.9523","0.0007","36.798","0.003","90","","90","","90","","3644.8","0.5","293","2","293","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","NNU-32","","","- C34 H14 In O8 -","- C34 H14 In O8 -","- C68 H28 In2 O16 -","2","0.125","","Li, Xingyu; Chen, Dashu; Liu, Yue; Yu, Ziyang; Xia, Qiansu; Xing, Hongzhu; Sun, Wendong","Anthracene-based indium metal‒organic framework as a promising photosensitizer for visible-light-induced atom transfer radical polymerization","CrystEngComm","2016","18","20","3696","","10.1039/C6CE00465B","","","0.71073","MoKα","","0.0756","0.0413","","","0.1038","0.1151","","","","","","0.963","","","","has coordinates","185236","2020-10-21","18:00:00",""
"7225090","8.888","0.004","16.396","0.008","14.795","0.007","90","","90","","90","","2156","1.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Ag2 N6 O6 -","- C18 H16 Ag2 N6 O6 -","- C72 H64 Ag8 N24 O24 -","4","1","","Miao, Shao-Bin; Li, Zhao-Hao; Xu, Chun-Ying; Ji, Bao-Ming","Syntheses, characterization, and luminescence properties of three novel Ag(i) coordination polymers based on polycarboxylic acid ligands and 1,3-di-(1,2,4-triazole-4-yl)benzene","CrystEngComm","2016","18","24","4636","","10.1039/C6CE00625F","","","0.71073","MoKα","","0.042","0.0349","","","0.1039","0.1084","","","","","","1.085","","","","has coordinates","185216","2020-10-21","18:00:00",""
"7225091","13.3465","0.0017","7.1935","0.0009","19.632","0.003","90","","102.694","0.001","90","","1838.8","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H12 Ag2 N6 O6 -","- C19 H12 Ag2 N6 O6 -","- C76 H48 Ag8 N24 O24 -","4","1","","Miao, Shao-Bin; Li, Zhao-Hao; Xu, Chun-Ying; Ji, Bao-Ming","Syntheses, characterization, and luminescence properties of three novel Ag(i) coordination polymers based on polycarboxylic acid ligands and 1,3-di-(1,2,4-triazole-4-yl)benzene","CrystEngComm","2016","18","24","4636","","10.1039/C6CE00625F","","","0.71073","MoKα","","0.0481","0.0322","","","0.0713","0.0813","","","","","","1.007","","","","has coordinates","185216","2020-10-21","18:00:00",""
"7225092","18.11","0.013","14.899","0.011","10.013","0.007","90","","104.397","0.008","90","","2617","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H10 Ag6 N8 O8 -","- C22 H10 Ag6 N8 O8 -","- C88 H40 Ag24 N32 O32 -","4","1","","Miao, Shao-Bin; Li, Zhao-Hao; Xu, Chun-Ying; Ji, Bao-Ming","Syntheses, characterization, and luminescence properties of three novel Ag(i) coordination polymers based on polycarboxylic acid ligands and 1,3-di-(1,2,4-triazole-4-yl)benzene","CrystEngComm","2016","18","24","4636","","10.1039/C6CE00625F","","","0.71073","MoKα","","0.0733","0.0635","","","0.1672","0.1751","","","","","","0.998","","","","has coordinates","185216","2020-10-21","18:00:00",""
"7225093","13.3233","0.0005","7.3226","0.0002","8.0133","0.0003","90","","97.8638","0.0009","90","","774.44","0.05","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C4 H4 Br K N2 O3 -","- C4 H4 Br K N2 O3 -","- C16 H16 Br4 K4 N8 O12 -","4","1","","Maini, L.; Braga, D.; Grepioni, F.; Lampronti, G. I.; Gaglioti, K.; Gobetto, R.; Chierotti, M. R.","From isomorphous to “anisomorphous” ionic co-crystals of barbituric acid upon dehydration and return","CrystEngComm","2016","18","24","4651","","10.1039/C6CE00566G","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","","0.0115","2.09046","","","","","","","has coordinates","185220","2020-10-21","18:00:00",""
"7225094","14.1395","0.0006","7.374","0.0003","13.9831","0.0006","90","","102.141","0.002","90","","1425.33","0.1","298","","298","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C4 H4 Br N2 Na O3 -","- C4 H4 Br N2 Na O3 -","- C32 H32 Br8 N16 Na8 O24 -","8","1","","Maini, L.; Braga, D.; Grepioni, F.; Lampronti, G. I.; Gaglioti, K.; Gobetto, R.; Chierotti, M. R.","From isomorphous to “anisomorphous” ionic co-crystals of barbituric acid upon dehydration and return","CrystEngComm","2016","18","24","4651","","10.1039/C6CE00566G","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","","0.0649","8.84972","","","","","","","has coordinates","185220","2020-10-21","18:00:00",""
"7225095","8.2776","0.0004","21.885","0.003","7.16","0.0006","90","","90","","90","","1297.1","0.2","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C4 H4 Br0.5 N2 O3 Rb0.5 -","- C4 H4 Br0.5 N2 O3 Rb0.5 -","- C32 H32 Br4 N16 O24 Rb4 -","8","1","","Maini, L.; Braga, D.; Grepioni, F.; Lampronti, G. I.; Gaglioti, K.; Gobetto, R.; Chierotti, M. R.","From isomorphous to “anisomorphous” ionic co-crystals of barbituric acid upon dehydration and return","CrystEngComm","2016","18","24","4651","","10.1039/C6CE00566G","","","0.71073","MoKα","","0.0438","0.0246","","","0.0476","0.0501","","","","","","0.934","","","","has coordinates","185220","2020-10-21","18:00:00",""
"7225096","13.1709","0.0004","13.5041","0.0005","14.1929","0.0005","85.631","0.003","89.267","0.002","63.403","0.003","2250.03","0.15","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C104 H80 N4 O14 Yb2 -","- C104 H80 N4 O14 Yb2 -","- C104 H80 N4 O14 Yb2 -","1","0.5","","Sun, Ou; Chen, Peng; Li, Hong-Feng; Gao, Ting; Sun, Wen-Bin; Li, Guang-Ming; Yan, Peng-Fei","A series of dinuclear lanthanide(iii) complexes constructed from Schiff base and β-diketonate ligands: synthesis, structure, luminescence and SMM behavior","CrystEngComm","2016","18","24","4627","","10.1039/C6CE00354K","","","0.71073","MoKα","","0.0431","0.0364","","","0.1021","0.1079","","","","","","1.079","","","","has coordinates","185221","2020-10-21","18:00:00",""
"7225097","13.2476","0.0004","13.6218","0.0004","14.1692","0.0005","85.747","0.002","88.605","0.003","63.083","0.003","2273.51","0.14","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C104 H80 Eu2 N4 O14 -","- C104 H80 Eu2 N4 O14 -","- C104 H80 Eu2 N4 O14 -","1","0.5","","Sun, Ou; Chen, Peng; Li, Hong-Feng; Gao, Ting; Sun, Wen-Bin; Li, Guang-Ming; Yan, Peng-Fei","A series of dinuclear lanthanide(iii) complexes constructed from Schiff base and β-diketonate ligands: synthesis, structure, luminescence and SMM behavior","CrystEngComm","2016","18","24","4627","","10.1039/C6CE00354K","","","0.71073","MoKα","","0.047","0.0375","","","0.1082","0.1149","","","","","","1.113","","","","has coordinates","185221","2020-10-21","18:00:00",""
"7225098","13.2798","0.0005","13.6291","0.0005","14.1655","0.0004","85.823","0.003","88.506","0.003","63.048","0.004","2279.23","0.16","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C104 H80 N4 O14 Sm2 -","- C104 H80 N4 O14 Sm2 -","- C104 H80 N4 O14 Sm2 -","1","0.5","","Sun, Ou; Chen, Peng; Li, Hong-Feng; Gao, Ting; Sun, Wen-Bin; Li, Guang-Ming; Yan, Peng-Fei","A series of dinuclear lanthanide(iii) complexes constructed from Schiff base and β-diketonate ligands: synthesis, structure, luminescence and SMM behavior","CrystEngComm","2016","18","24","4627","","10.1039/C6CE00354K","","","0.71073","MoKα","","0.0537","0.0433","","","0.1194","0.1272","","","","","","1.125","","","","has coordinates","185221","2020-10-21","18:00:00",""
"7225099","13.192","0.0011","13.5237","0.001","14.1426","0.0008","85.88","0.005","89.094","0.006","63.263","0.008","2247.1","0.3","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C104 H80 Dy2 N4 O14 -","- C104 H80 Dy2 N4 O14 -","- C104 H80 Dy2 N4 O14 -","1","0.5","","Sun, Ou; Chen, Peng; Li, Hong-Feng; Gao, Ting; Sun, Wen-Bin; Li, Guang-Ming; Yan, Peng-Fei","A series of dinuclear lanthanide(iii) complexes constructed from Schiff base and β-diketonate ligands: synthesis, structure, luminescence and SMM behavior","CrystEngComm","2016","18","24","4627","","10.1039/C6CE00354K","","","0.71073","MoKα","","0.0442","0.0354","","","0.0998","0.1048","","","","","","1.07","","","","has coordinates","185221","2020-10-21","18:00:00",""
"7225100","13.2572","0.0008","13.5997","0.0007","14.1795","0.0007","85.809","0.004","88.882","0.004","63.111","0.005","2273.7","0.2","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C104 H80 Gd2 N4 O14 -","- C104 H80 Gd2 N4 O14 -","- C104 H80 Gd2 N4 O14 -","1","0.5","","Sun, Ou; Chen, Peng; Li, Hong-Feng; Gao, Ting; Sun, Wen-Bin; Li, Guang-Ming; Yan, Peng-Fei","A series of dinuclear lanthanide(iii) complexes constructed from Schiff base and β-diketonate ligands: synthesis, structure, luminescence and SMM behavior","CrystEngComm","2016","18","24","4627","","10.1039/C6CE00354K","","","0.71073","MoKα","","0.0551","0.0433","","","0.1168","0.126","","","","","","1.067","","","","has coordinates","185221","2020-10-21","18:00:00",""
"7225101","50.824","0.0014","11.369","0.0003","17.604","0.0004","90","","90","","90","","10171.9","0.5","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C79 H79 N5 Nd6 O44 S9 -","- C79 H79 N5 Nd6 O44 S9 -","- C316 H316 N20 Nd24 O176 S36 -","4","1","","Yawer, Mohd; Kariem, Mukaddus; Sood, Puneet; Sheikh, Haq Nawaz","Lanthanide-based entangled coordination polymers connected by thiophene-2,5-dicarboxylate: solvothermal syntheses, crystal structures, luminescence and magnetic properties","CrystEngComm","2016","18","20","3617","","10.1039/C6CE00321D","","","0.71073","MoKα","","0.0442","0.0312","","","0.0576","0.0631","","","","","","1.079","","","","has coordinates,has disorder","185240","2020-10-21","18:00:00",""
"7225102","50.925","0.0014","11.3821","0.0003","17.6499","0.0004","90","","90","","90","","10230.5","0.5","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C79 H79 N5 O44 Pr6 S9 -","- C79 H79 N5 O44 Pr6 S9 -","- C316 H316 N20 O176 Pr24 S36 -","4","1","","Yawer, Mohd; Kariem, Mukaddus; Sood, Puneet; Sheikh, Haq Nawaz","Lanthanide-based entangled coordination polymers connected by thiophene-2,5-dicarboxylate: solvothermal syntheses, crystal structures, luminescence and magnetic properties","CrystEngComm","2016","18","20","3617","","10.1039/C6CE00321D","","","0.71073","MoKα","","0.0411","0.032","","","0.0613","0.0649","","","","","","1.025","","","","has coordinates,has disorder","185240","2020-10-21","18:00:00",""
"7225103","17.3778","0.0004","11.64042","0.00019","18.3475","0.0004","90","","110.413","0.003","90","","3478.36","0.14","150","0.1","150","0.1","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C27 H28 N3 O14.5 S3 Tb2 -","- C28 H28 N2 O14.5 S3 Tb2 -","- C112 H112 N8 O58 S12 Tb8 -","4","1","","Yawer, Mohd; Kariem, Mukaddus; Sood, Puneet; Sheikh, Haq Nawaz","Lanthanide-based entangled coordination polymers connected by thiophene-2,5-dicarboxylate: solvothermal syntheses, crystal structures, luminescence and magnetic properties","CrystEngComm","2016","18","20","3617","","10.1039/C6CE00321D","","x-ray","0.71073","MoKα","","0.0323","0.0271","","","0.0698","0.0728","","","","","","1.088","","","","has coordinates","185240","2020-10-21","18:00:00",""
"7225104","17.2053","0.0008","11.6462","0.0004","18.2629","0.0009","90","","110.462","0.005","90","","3428.6","0.3","150","0.1","150","0.1","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C23.5 H27 N8 O13.5 S3 Yb2 -","- C28 H28 N2 O14.5 S3 Yb2 -","- C112 H112 N8 O58 S12 Yb8 -","4","1","","Yawer, Mohd; Kariem, Mukaddus; Sood, Puneet; Sheikh, Haq Nawaz","Lanthanide-based entangled coordination polymers connected by thiophene-2,5-dicarboxylate: solvothermal syntheses, crystal structures, luminescence and magnetic properties","CrystEngComm","2016","18","20","3617","","10.1039/C6CE00321D","","x-ray","0.71073","MoKα","","0.0624","0.0566","","","0.1091","0.1118","","","","","","1.165","","","","has coordinates","185240","2020-10-21","18:00:00",""
"7225105","17.3974","0.0003","11.64531","0.00019","18.375","0.0004","90","","110.319","0.002","90","","3491.09","0.12","150","0.1","150","0.1","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C28 H28 Gd2 N2 O15 S3 -","- C28 H28 Gd2 N2 O15 S3 -","- C112 H112 Gd8 N8 O60 S12 -","4","1","","Yawer, Mohd; Kariem, Mukaddus; Sood, Puneet; Sheikh, Haq Nawaz","Lanthanide-based entangled coordination polymers connected by thiophene-2,5-dicarboxylate: solvothermal syntheses, crystal structures, luminescence and magnetic properties","CrystEngComm","2016","18","20","3617","","10.1039/C6CE00321D","","x-ray","0.71073","MoKα","","0.0379","0.0323","","","0.0791","0.0827","","","","","","1.105","","","","has coordinates","185240","2020-10-21","18:00:00",""
"7225106","17.3358","0.0004","11.6348","0.0002","18.3198","0.0004","90","","110.426","0.003","90","","3462.74","0.14","150","0.1","150","0.1","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C28 H28 Dy2 N2 O15 S3 -","- C28 H28 Dy2 N2 O15 S3 -","- C112 H112 Dy8 N8 O60 S12 -","4","1","","Yawer, Mohd; Kariem, Mukaddus; Sood, Puneet; Sheikh, Haq Nawaz","Lanthanide-based entangled coordination polymers connected by thiophene-2,5-dicarboxylate: solvothermal syntheses, crystal structures, luminescence and magnetic properties","CrystEngComm","2016","18","20","3617","","10.1039/C6CE00321D","","x-ray","0.71073","MoKα","","0.0384","0.0327","","","0.0733","0.0775","","","","","","1.045","","","","has coordinates","185240","2020-10-21","18:00:00",""
"7225107","51.1545","0.0014","11.4493","0.0003","17.7196","0.0005","90","","90","","90","","10378.1","0.5","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C79 H79 Ce6 N5 O44 S9 -","- C79 H79 Ce6 N5 O44 S9 -","- C316 H316 Ce24 N20 O176 S36 -","4","1","","Yawer, Mohd; Kariem, Mukaddus; Sood, Puneet; Sheikh, Haq Nawaz","Lanthanide-based entangled coordination polymers connected by thiophene-2,5-dicarboxylate: solvothermal syntheses, crystal structures, luminescence and magnetic properties","CrystEngComm","2016","18","20","3617","","10.1039/C6CE00321D","","","0.71073","MoKα","","0.0603","0.0549","","","0.1383","0.1417","","","","","","1.09","","","","has coordinates,has disorder","185240","2020-10-21","18:00:00",""
"7225108","50.641","0.003","11.353","0.0008","17.5277","0.001","90","","90","","90","","10077.2","1.1","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C79 H79 N5 O44 S9 Sm6 -","- C79 H79 N5 O44 S9 Sm6 -","- C316 H316 N20 O176 S36 Sm24 -","4","1","","Yawer, Mohd; Kariem, Mukaddus; Sood, Puneet; Sheikh, Haq Nawaz","Lanthanide-based entangled coordination polymers connected by thiophene-2,5-dicarboxylate: solvothermal syntheses, crystal structures, luminescence and magnetic properties","CrystEngComm","2016","18","20","3617","","10.1039/C6CE00321D","","","0.71073","MoKα","","0.0304","0.0268","","","0.0611","0.0622","","","","","","1.163","","","","has coordinates,has disorder","185240","2020-10-21","18:00:00",""
"7225109","11.2547","0.0005","17.5664","0.0008","16.8496","0.0009","90","","93.473","0.002","90","","3325.1","0.3","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C51 H47 Eu4 N3 O29 S6 -","- C51 H47 Eu4 N3 O29 S6 -","- C102 H94 Eu8 N6 O58 S12 -","2","1","","Yawer, Mohd; Kariem, Mukaddus; Sood, Puneet; Sheikh, Haq Nawaz","Lanthanide-based entangled coordination polymers connected by thiophene-2,5-dicarboxylate: solvothermal syntheses, crystal structures, luminescence and magnetic properties","CrystEngComm","2016","18","20","3617","","10.1039/C6CE00321D","","","0.71073","MoKα","","0.0328","0.0311","","","0.071","0.0718","","","","","","1.131","","","","has coordinates,has disorder","185240","2020-10-21","18:00:00",""
"7225126","33.368","0.009","13.694","0.003","23.569","0.007","90","","133.022","0.01","90","","7874","4","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,4,6-tris(phenylthio)-1,3,5-triazine","","- C21 H15 N3 S3 -","- C21 H15 N3 S3 -","- C336 H240 N48 S48 -","16","2","","Mehrotra, Sonam; Angamuthu, Raja","Janus head type lone pair‒π‒lone pair and S⋯F⋯S interactions in retaining hexafluorobenzene","CrystEngComm","2016","18","23","4438","","10.1039/C6CE00496B","","","0.71073","MoKα","","0.0847","0.0523","","","0.1161","0.1345","","","","","","1.006","","","","has coordinates","185283","2020-10-21","18:00:00",""
"7225127","7.5595","0.0016","9.694","0.002","29.683","0.006","90","","96.753","0.004","90","","2160.1","0.8","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,4,6-tris(p-tolylthio)-1,3,5-triazine","","- C24 H21 N3 S3 -","- C24 H21 N3 S3 -","- C96 H84 N12 S12 -","4","1","","Mehrotra, Sonam; Angamuthu, Raja","Janus head type lone pair‒π‒lone pair and S⋯F⋯S interactions in retaining hexafluorobenzene","CrystEngComm","2016","18","23","4438","","10.1039/C6CE00496B","","","0.71073","MoKα","","0.077","0.0514","","","0.1233","0.1545","","","","","","1.083","","","","has coordinates","185283","2020-10-21","18:00:00",""
"7225128","10.233","0.003","14.35","0.004","14.563","0.004","90","","90.98","0.005","90","","2138.2","1","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,4,6-tris((4-chlorophenyl)thio)-1,3,5-triazine","","- C21 H12 Cl3 N3 S3 -","- C21 H12 Cl3 N3 S3 -","- C84 H48 Cl12 N12 S12 -","4","1","","Mehrotra, Sonam; Angamuthu, Raja","Janus head type lone pair‒π‒lone pair and S⋯F⋯S interactions in retaining hexafluorobenzene","CrystEngComm","2016","18","23","4438","","10.1039/C6CE00496B","","","0.71073","MoKα","","0.08","0.0461","","","0.1043","0.1298","","","","","","1.06","","","","has coordinates","185283","2020-10-21","18:00:00",""
"7225129","20.799","0.004","7.8317","0.0015","15.126","0.003","90","","109.382","0.005","90","","2324.3","0.8","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,4,6-tris((3-nitrophenyl)thio)-1,3,5-triazine","","- C21 H12 N6 O6 S3 -","- C21 H12 N6 O6 S3 -","- C84 H48 N24 O24 S12 -","4","1","","Mehrotra, Sonam; Angamuthu, Raja","Janus head type lone pair‒π‒lone pair and S⋯F⋯S interactions in retaining hexafluorobenzene","CrystEngComm","2016","18","23","4438","","10.1039/C6CE00496B","","","0.71073","MoKα","","0.2272","0.0756","","","0.1106","0.1432","","","","","","0.964","","","","has coordinates","185283","2020-10-21","18:00:00",""
"7225130","12.642","0.003","8.916","0.002","23.281","0.005","90","","97.804","0.006","90","","2599.8","1","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,4,6-tris((2-methyl-5-nitrophenyl)thio)-1,3,5-triazine","","- C24 H18 N6 O6 S3 -","- C24 H18 N6 O6 S3 -","- C96 H72 N24 O24 S12 -","4","1","","Mehrotra, Sonam; Angamuthu, Raja","Janus head type lone pair‒π‒lone pair and S⋯F⋯S interactions in retaining hexafluorobenzene","CrystEngComm","2016","18","23","4438","","10.1039/C6CE00496B","","","0.71073","MoKα","","0.1009","0.0495","","","0.0995","0.1167","","","","","","1.007","","","","has coordinates,has disorder","185283","2020-10-21","18:00:00",""
"7225131","9.411","0.002","12.295","0.003","13.934","0.003","108.662","0.004","108.819","0.003","92.389","0.004","1426.9","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H27 F3 N3 S3 -","- C30 H27 F3 N3 S3 -","- C60 H54 F6 N6 S6 -","2","1","","Mehrotra, Sonam; Angamuthu, Raja","Janus head type lone pair‒π‒lone pair and S⋯F⋯S interactions in retaining hexafluorobenzene","CrystEngComm","2016","18","23","4438","","10.1039/C6CE00496B","","","0.71073","MoKα","","0.1076","0.093","","","0.245","0.2863","","","","","","1.163","","","","has coordinates","185283","2020-10-21","18:00:00",""
"7225132","11.446","0.002","9.9569","0.0018","22.647","0.004","90","","93.964","0.008","90","","2574.8","0.8","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H27 N3 S3 -","- C27 H27 N3 S3 -","- C108 H108 N12 S12 -","4","1","","Mehrotra, Sonam; Angamuthu, Raja","Janus head type lone pair‒π‒lone pair and S⋯F⋯S interactions in retaining hexafluorobenzene","CrystEngComm","2016","18","23","4438","","10.1039/C6CE00496B","","","0.71073","MoKα","","0.0946","0.0508","","","0.1135","0.1324","","","","","","1.022","","","","has coordinates,has disorder","185283","2020-10-21","18:00:00",""
"7225133","13.491","0.005","10.406","0.004","23.955","0.009","90","","94.092","0.007","90","","3354","2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H45 N3 S3 -","- C36 H45 N3 S3 -","- C144 H180 N12 S12 -","4","1","","Mehrotra, Sonam; Angamuthu, Raja","Janus head type lone pair‒π‒lone pair and S⋯F⋯S interactions in retaining hexafluorobenzene","CrystEngComm","2016","18","23","4438","","10.1039/C6CE00496B","","","0.71073","MoKα","","0.2417","0.0807","","","0.127","0.1836","","","","","","0.906","","","","has coordinates","185283","2020-10-21","18:00:00",""
"7225134","9.899","0.003","12.113","0.003","20.03","0.005","90","","90","","90","","2401.7","1.1","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H3 F12 N3 S3 -","- C21 H3 F12 N3 S3 -","- C84 H12 F48 N12 S12 -","4","1","","Mehrotra, Sonam; Angamuthu, Raja","Janus head type lone pair‒π‒lone pair and S⋯F⋯S interactions in retaining hexafluorobenzene","CrystEngComm","2016","18","23","4438","","10.1039/C6CE00496B","","","0.71073","MoKα","","0.1336","0.045","","","0.0761","0.1014","","","","","","1.001","","","","has coordinates","185283","2020-10-21","18:00:00",""
"7225136","17.507","0.004","14.509","0.004","14.459","0.004","90","","121.212","0.007","90","","3141.1","1.4","296","2","296","2","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","","- C16 H16 Cl Cu12 N24 O40 P W12 -","- C16 H16 Cl Cu12 N24 O40 P W12 -","- C32 H32 Cl2 Cu24 N48 O80 P2 W24 -","2","0.25","","Lu, Xin-Xin; Luo, Yu-Hui; Liu, Yu-Shuang; Ma, Wen-Wen; Xu, Yan; Zhang, Hong","Assembly of three stable POM-based pillar-layer CuIcoordination polymers with visible light driven photocatalytic properties","CrystEngComm","2016","18","20","3650","","10.1039/C6CE00332J","","","0.71073","MoKα","","0.0845","0.0643","","","0.1419","0.1479","","","","","","1.096","","","","has coordinates","185232","2020-10-21","18:00:00",""
"7225137","17.436","0.002","14.52","0.002","14.457","0.003","90","","121.431","0.004","90","","3123","0.9","293","2","293","2","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","","- C16 H16 Cl Cu12 Mo12 N24 O40 P -","- C16 H16 Cl Cu12 Mo12 N24 O40 P -","- C32 H32 Cl2 Cu24 Mo24 N48 O80 P2 -","2","0.25","","Lu, Xin-Xin; Luo, Yu-Hui; Liu, Yu-Shuang; Ma, Wen-Wen; Xu, Yan; Zhang, Hong","Assembly of three stable POM-based pillar-layer CuIcoordination polymers with visible light driven photocatalytic properties","CrystEngComm","2016","18","20","3650","","10.1039/C6CE00332J","","","0.71073","MoKα","","0.0732","0.0562","","","0.1113","0.119","","","","","","1.051","","","","has coordinates","185232","2020-10-21","18:00:00",""
"7225145","9.2965","0.001","15.3442","0.0018","27.151","0.003","90","","91.243","0.003","90","","3872.1","0.8","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H26 Co F12 Gd N3 O10 -","- C35 H26 Co F12 Gd N3 O10 -","- C140 H104 Co4 F48 Gd4 N12 O40 -","4","1","","Patrascu, Andrei A.; Calancea, Sergiu; Cassaro, Rafael A. Allão; Soriano, Stéphane; Madalan, Augustin M.; Maxim, Catalin; Novak, Miguel A.; Vaz, Maria G. F.; Andruh, Marius","One-dimensional coordination polymers constructed from binuclear 3d‒4f nodes and isonicotinato spacer","CrystEngComm","2016","18","25","4779","","10.1039/C6CE00729E","","","0.71073","MoKα","","0.0686","0.0468","","","0.0922","0.1001","","","","","","1.059","","","","has coordinates,has disorder","185208","2020-10-21","18:00:00",""
"7225146","18.2485","0.0006","15.8544","0.0006","28.0187","0.0009","90","","90","","90","","8106.3","0.5","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C35 H26 F12 Gd N3 Ni O10 -","- C35 H26 F12 Gd N3 Ni O10 -","- C280 H208 F96 Gd8 N24 Ni8 O80 -","8","1","","Patrascu, Andrei A.; Calancea, Sergiu; Cassaro, Rafael A. Allão; Soriano, Stéphane; Madalan, Augustin M.; Maxim, Catalin; Novak, Miguel A.; Vaz, Maria G. F.; Andruh, Marius","One-dimensional coordination polymers constructed from binuclear 3d‒4f nodes and isonicotinato spacer","CrystEngComm","2016","18","25","4779","","10.1039/C6CE00729E","","","0.71073","MoKα","","0.0513","0.0363","","","0.0798","0.0884","","","","","","0.964","","","","has coordinates,has disorder","185208","2020-10-21","18:00:00",""
"7225147","18.235","0.0011","15.8583","0.0011","28.0209","0.0019","90","","90","","90","","8103","0.9","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C35 H26 Dy F12 N3 Ni O10 -","- C35 H26 Dy F12 N3 Ni O10 -","- C280 H208 Dy8 F96 N24 Ni8 O80 -","8","1","","Patrascu, Andrei A.; Calancea, Sergiu; Cassaro, Rafael A. Allão; Soriano, Stéphane; Madalan, Augustin M.; Maxim, Catalin; Novak, Miguel A.; Vaz, Maria G. F.; Andruh, Marius","One-dimensional coordination polymers constructed from binuclear 3d‒4f nodes and isonicotinato spacer","CrystEngComm","2016","18","25","4779","","10.1039/C6CE00729E","","","0.71073","MoKα","","0.062","0.0358","","","0.0741","0.0849","","","","","","1.02","","","","has coordinates,has disorder","185208","2020-10-21","18:00:00",""
"7225148","8.7174","0.0019","8.617","0.002","12.019","0.003","90","","93.283","0.006","90","","901.4","0.4","90","","90","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H8 Cd N8 Ni S6 -","- C6 H8 Cd N8 Ni S6 -","- C12 H16 Cd2 N16 Ni2 S12 -","2","0.5","","Xie, Kai-Ping; Xu, Wei-Jian; He, Chun-Ting; Huang, Bo; Du, Zi-Yi; Su, Yu-Jun; Zhang, Wei-Xiong; Chen, Xiao-Ming","Order‒disorder phase transition in the first thiocyanate-bridged double perovskite-type coordination polymer: [NH4]2[NiCd(SCN)6]","CrystEngComm","2016","18","24","4495","","10.1039/C6CE00898D","","","0.71073","MoKα","","0.052","0.0457","","","0.1007","0.1037","","","","","","0.965","","","","has coordinates","185219","2020-10-21","18:00:00",""
"7225149","8.7522","0.0004","8.6342","0.0004","12.141","0.0006","90","","90.136","0.004","90","","917.47","0.07","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H8 Cd N8 Ni S6 -","- C6 H8 Cd N8 Ni S6 -","- C12 H16 Cd2 N16 Ni2 S12 -","2","0.5","","Xie, Kai-Ping; Xu, Wei-Jian; He, Chun-Ting; Huang, Bo; Du, Zi-Yi; Su, Yu-Jun; Zhang, Wei-Xiong; Chen, Xiao-Ming","Order‒disorder phase transition in the first thiocyanate-bridged double perovskite-type coordination polymer: [NH4]2[NiCd(SCN)6]","CrystEngComm","2016","18","24","4495","","10.1039/C6CE00898D","","","0.71073","MoKα","","0.0265","0.0255","","","0.0651","0.0659","","","","","","1.035","","","","has coordinates,has disorder","185219","2020-10-21","18:00:00",""
"7225150","10.6574","0.0016","14.801","0.002","7.7136","0.0011","90","","97.635","0.003","90","","1206","0.3","290","2","290","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Br1.35 Cl0.65 N2 Zn -","- C10 H8 Br1.346 Cl0.654 N2 Zn -","- C40 H32 Br5.384 Cl2.616 N8 Zn4 -","4","0.5","","Nauha, Elisa; Naumov, Panče; Lusi, Matteo","Fine-tuning of a thermosalient phase transition by solid solutions","CrystEngComm","2016","18","25","4699","","10.1039/C6CE00762G","","","0.71073","MoKα","","0.0864","0.0418","","","0.0769","0.088","","","","","","1.032","","","","has coordinates,has disorder","185209","2020-10-21","18:00:00",""
"7225151","10.7037","0.0016","14.806","0.002","7.7392","0.0012","90","","97.673","0.003","90","","1215.5","0.3","290","2","290","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Br1.51 Cl0.49 N2 Zn -","- C10 H8 Br1.512 Cl0.488 N2 Zn -","- C40 H32 Br6.048 Cl1.952 N8 Zn4 -","4","0.5","","Nauha, Elisa; Naumov, Panče; Lusi, Matteo","Fine-tuning of a thermosalient phase transition by solid solutions","CrystEngComm","2016","18","25","4699","","10.1039/C6CE00762G","","","0.71073","MoKα","","0.0425","0.0289","","","0.0691","0.0738","","","","","","1.077","","","","has coordinates,has disorder","185209","2020-10-21","18:00:00",""
"7225152","10.755","0.006","14.818","0.008","7.775","0.004","90","","97.568","0.009","90","","1228.3","1.1","300","2","300","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Br1.75 Cl0.25 N2 Zn -","- C10 H8 Br1.754 Cl0.246 N2 Zn -","- C40 H32 Br7.016 Cl0.984 N8 Zn4 -","4","0.5","","Nauha, Elisa; Naumov, Panče; Lusi, Matteo","Fine-tuning of a thermosalient phase transition by solid solutions","CrystEngComm","2016","18","25","4699","","10.1039/C6CE00762G","","","0.71073","MoKα","","0.0587","0.0313","","","0.0633","0.0706","","","","","","1.042","","","","has coordinates,has disorder","185209","2020-10-21","18:00:00",""
"7225153","7.5299","0.0006","8.7931","0.0007","9.0498","0.0007","112.835","0.0019","94.457","0.002","95.707","0.002","545.06","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H8 Cl2 N2 Zn -","- C10 H8 Cl2 N2 Zn -","- C20 H16 Cl4 N4 Zn2 -","2","1","","Nauha, Elisa; Naumov, Panče; Lusi, Matteo","Fine-tuning of a thermosalient phase transition by solid solutions","CrystEngComm","2016","18","25","4699","","10.1039/C6CE00762G","","","0.71073","MoKα","","0.0309","0.0244","","","0.0557","0.0577","","","","","","1.038","","","","has coordinates","185209","2020-10-21","18:00:00",""
"7225154","7.5668","0.001","8.8117","0.0011","9.083","0.0011","113.005","0.0018","94.6504","0.0019","95.787","0.0019","549.79","0.12","99","2","99","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H8 Br0.19 Cl1.81 N2 Zn -","- C10 H8 Br0.1859 Cl1.8141 N2 Zn -","- C20 H16 Br0.3718 Cl3.6282 N4 Zn2 -","2","1","","Nauha, Elisa; Naumov, Panče; Lusi, Matteo","Fine-tuning of a thermosalient phase transition by solid solutions","CrystEngComm","2016","18","25","4699","","10.1039/C6CE00762G","","","0.71073","MoKα","","0.0247","0.0201","","","0.0471","0.0484","","","","","","1.073","","","","has coordinates,has disorder","185209","2020-10-21","18:00:00",""
"7225155","7.6518","0.0005","8.8233","0.0006","9.1333","0.0006","113.523","0.0013","95.1819","0.0015","95.9954","0.0015","556.37","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H8 Br0.62 Cl1.38 N2 Zn -","- C10 H8 Br0.6191 Cl1.3809 N2 Zn -","- C20 H16 Br1.2382 Cl2.7618 N4 Zn2 -","2","1","","Nauha, Elisa; Naumov, Panče; Lusi, Matteo","Fine-tuning of a thermosalient phase transition by solid solutions","CrystEngComm","2016","18","25","4699","","10.1039/C6CE00762G","","","0.71073","MoKα","","0.0209","0.0175","","","0.0436","0.0448","","","","","","1.038","","","","has coordinates,has disorder","185209","2020-10-21","18:00:00",""
"7225156","7.6883","0.0008","8.8529","0.0009","9.1701","0.0009","113.7","0.0013","95.3265","0.0014","95.9991","0.0014","562.12","0.1","99","2","99","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H8 Br0.88 Cl1.12 N2 Zn -","- C10 H8 Br0.8808 Cl1.1192 N2 Zn -","- C20 H16 Br1.7616 Cl2.2384 N4 Zn2 -","2","1","","Nauha, Elisa; Naumov, Panče; Lusi, Matteo","Fine-tuning of a thermosalient phase transition by solid solutions","CrystEngComm","2016","18","25","4699","","10.1039/C6CE00762G","","","0.71073","MoKα","","0.0202","0.0175","","","0.0441","0.045","","","","","","1.066","","","","has coordinates,has disorder","185209","2020-10-21","18:00:00",""
"7225157","7.7335","0.0013","8.9213","0.0015","9.2304","0.0016","114.064","0.004","95.245","0.004","96.005","0.004","571.96","0.17","99","2","99","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H8 Br1.37 Cl0.64 N2 Zn -","- C10 H8 Br1.365 Cl0.635 N2 Zn -","- C20 H16 Br2.73 Cl1.27 N4 Zn2 -","2","1","","Nauha, Elisa; Naumov, Panče; Lusi, Matteo","Fine-tuning of a thermosalient phase transition by solid solutions","CrystEngComm","2016","18","25","4699","","10.1039/C6CE00762G","","","0.71073","MoKα","","0.0522","0.035","","","0.0785","0.0811","","","","","","0.957","","","","has coordinates,has disorder","185209","2020-10-21","18:00:00",""
"7225158","7.785","0.004","8.976","0.005","9.255","0.005","114.285","0.007","95.568","0.007","95.95","0.008","579.3","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H8 Br1.71 Cl0.29 N2 Zn -","- C10 H8 Br1.711 Cl0.289 N2 Zn -","- C20 H16 Br3.422 Cl0.578 N4 Zn2 -","2","1","","Nauha, Elisa; Naumov, Panče; Lusi, Matteo","Fine-tuning of a thermosalient phase transition by solid solutions","CrystEngComm","2016","18","25","4699","","10.1039/C6CE00762G","","","0.71073","MoKα","","0.095","0.0634","","","0.1482","0.166","","","","","","1.085","","","","has coordinates,has disorder","185209","2020-10-21","18:00:00",""
"7225159","7.882","0.006","9.046","0.007","9.355","0.007","114.689","0.014","95.786","0.016","95.861","0.015","595.2","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H8 Br2 N2 Zn -","- C10 H8 Br2 N2 Zn -","- C20 H16 Br4 N4 Zn2 -","2","1","","Nauha, Elisa; Naumov, Panče; Lusi, Matteo","Fine-tuning of a thermosalient phase transition by solid solutions","CrystEngComm","2016","18","25","4699","","10.1039/C6CE00762G","","","0.71073","MoKα","","0.1121","0.0719","","","0.1996","0.2251","","","","","","1.047","","","","has coordinates","185209","2020-10-21","18:00:00",""
"7225160","10.6281","0.0012","14.7546","0.0016","7.6742","0.0008","90","","97.2146","0.0016","90","","1193.9","0.2","320","2","320","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Br0.9 Cl1.1 N2 Zn -","- C10 H8 Br0.9 Cl1.1 N2 Zn -","- C40 H32 Br3.6 Cl4.4 N8 Zn4 -","4","0.5","","Nauha, Elisa; Naumov, Panče; Lusi, Matteo","Fine-tuning of a thermosalient phase transition by solid solutions","CrystEngComm","2016","18","25","4699","","10.1039/C6CE00762G","","","0.71073","MoKα","","0.0461","0.0354","","","0.0809","0.0846","","","","","","1.165","","","","has coordinates,has disorder","185209","2020-10-21","18:00:00",""
"7225161","10.7082","0.0005","14.7769","0.0007","7.7285","0.0003","90","","97.3492","0.0014","90","","1212.87","0.09","321","2","321","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Br1.36 Cl0.64 N2 Zn -","- C10 H8 Br1.358 Cl0.642 N2 Zn -","- C40 H32 Br5.432 Cl2.568 N8 Zn4 -","4","0.5","","Nauha, Elisa; Naumov, Panče; Lusi, Matteo","Fine-tuning of a thermosalient phase transition by solid solutions","CrystEngComm","2016","18","25","4699","","10.1039/C6CE00762G","","","0.71073","MoKα","","0.05","0.0289","","","0.0666","0.0732","","","","","","1.035","","","","has coordinates,has disorder","185209","2020-10-21","18:00:00",""
"7225162","10.826","0.003","14.85","0.004","7.813","0.002","90","","97.435","0.005","90","","1245.5","0.6","320","2","320","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Br1.77 Cl0.23 N2 Zn -","- C10 H8 Br1.766 Cl0.234 N2 Zn -","- C40 H32 Br7.064 Cl0.936 N8 Zn4 -","4","0.5","","Nauha, Elisa; Naumov, Panče; Lusi, Matteo","Fine-tuning of a thermosalient phase transition by solid solutions","CrystEngComm","2016","18","25","4699","","10.1039/C6CE00762G","","","0.71073","MoKα","","0.0586","0.0313","","","0.0696","0.0782","","","","","","1.015","","","","has coordinates,has disorder","185209","2020-10-21","18:00:00",""
"7225163","10.8238","0.0018","14.807","0.002","7.8103","0.0012","90","","97.425","0.003","90","","1241.2","0.3","320","2","320","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Br2 N2 Zn -","- C10 H8 Br2 N2 Zn -","- C40 H32 Br8 N8 Zn4 -","4","0.5","","Nauha, Elisa; Naumov, Panče; Lusi, Matteo","Fine-tuning of a thermosalient phase transition by solid solutions","CrystEngComm","2016","18","25","4699","","10.1039/C6CE00762G","","","0.71073","MoKα","","0.0697","0.0351","","","0.0772","0.0886","","","","","","1.026","","","","has coordinates","185209","2020-10-21","18:00:00",""
"7225164","9.3081","0.0019","14.1","0.003","18.227","0.004","90","","96.81","0.03","90","","2375.3","0.9","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","{[Zn(1,3-BDC)(abimb)]?H2O}n","","- C26 H21 N5 O5 Zn -","- C26 H21 N5 O5 Zn -","- C104 H84 N20 O20 Zn4 -","4","1","","Cheng, Hong-Jian; Tang, Xiao-Yan; Yuan, Rong-Xin; Lang, Jian-Ping","Structural diversity of Zn(ii) coordination polymers based on bis-imidazolyl ligands and 5-R-1,3-benzenedicarboxylate and their photocatalytic properties","CrystEngComm","2016","18","25","4851","","10.1039/C6CE00768F","","","0.71073","MoKα","","0.085","0.0654","","","0.1388","0.1505","","","","","","1.016","","","","has coordinates","185211","2020-10-21","18:00:00",""
"7225165","11.976","0.002","13.901","0.003","17.491","0.006","90","","119.05","0.02","90","","2545.5","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Zn(5-Br-1,3-BDC)(bimcz)]n","","- C26 H16 Br N5 O4 Zn -","- C26 H16 Br N5 O4 Zn -","- C104 H64 Br4 N20 O16 Zn4 -","4","1","","Cheng, Hong-Jian; Tang, Xiao-Yan; Yuan, Rong-Xin; Lang, Jian-Ping","Structural diversity of Zn(ii) coordination polymers based on bis-imidazolyl ligands and 5-R-1,3-benzenedicarboxylate and their photocatalytic properties","CrystEngComm","2016","18","25","4851","","10.1039/C6CE00768F","","","0.71073","MoKα","","0.2732","0.1205","","","0.1937","0.2538","","","","","","1.074","","","","has coordinates","185211","2020-10-21","18:00:00",""
"7225166","7.2124","","29.0912","","11.686","","90","","106.181","","90","","2354.8","","119.8","0.3","119.8","","","","","","","","","5","P 1 21 1","P 2yb","4","Phase 1","Sitagliptin L-tartrate Phase 1","","- C40 H44 F12 N10 O15 -","- C40 H44 F12 N10 O15 -","- C80 H88 F24 N20 O30 -","2","1","","Tieger, Eszter; Kiss, Violetta; Pokol, György; Finta, Zoltán; Dušek, Michal; Rohlíček, Jan; Skořepová, Eliška; Brázda, Petr","Studies on the crystal structure and arrangement of water in sitagliptinl-tartrate hydrates","CrystEngComm","2016","18","21","3819","","10.1039/C6CE00322B","","x-ray","1.54184","CuKα","","0.052","0.0438","","","0.1042","0.1141","","","","1.22","1.22","1.22","","","","has coordinates","185248","2020-10-21","18:00:00",""
"7225167","7.21076","0.00011","11.66322","0.00014","15.64522","0.00015","99.3299","0.0008","98.8646","0.0013","105.99","0.0012","1220.43","0.03","293","","293","","","","","","","","","5","P 1","P 1","1","Phase 2","Sitagliptin L-tartrate Phase 2","","- C20 H21 F6 N5 O7 -","- C20 H15 F6 N5 O7.5 -","- C40 H30 F12 N10 O15 -","2","2","","Tieger, Eszter; Kiss, Violetta; Pokol, György; Finta, Zoltán; Dušek, Michal; Rohlíček, Jan; Skořepová, Eliška; Brázda, Petr","Studies on the crystal structure and arrangement of water in sitagliptinl-tartrate hydrates","CrystEngComm","2016","18","21","3819","","10.1039/C6CE00322B","powder diffraction","x-ray","1.5418","CuKα","","0.0583","0.0583","","0.0759","0.0759","","","","5.91","","","","","","","has coordinates","185248","2020-10-21","18:00:00",""
"7225168","45.2368","0.0004","8.2403","0.0004","7.1817","0.0018","90","","95.326","0.004","90","","2665.5","0.7","119.98","0.1","120","","","","","","","","","5","C 1 2 1","C 2y","5","tetrahydrate","Sitagliptin L-tartrate tetrahydrate","","- C20 H20 F6 N5 O11.227 -","- C20 H20 F6 N5 O11.22 -","- C80 H80 F24 N20 O44.88 -","4","1","","Tieger, Eszter; Kiss, Violetta; Pokol, György; Finta, Zoltán; Dušek, Michal; Rohlíček, Jan; Skořepová, Eliška; Brázda, Petr","Studies on the crystal structure and arrangement of water in sitagliptinl-tartrate hydrates","CrystEngComm","2016","18","21","3819","","10.1039/C6CE00322B","","x-ray","1.54184","CuKα","","0.0716","0.0669","","","0.1678","0.1707","","","","2.51","2.51","2.42","","","","has coordinates","185248","2020-10-21","18:00:00",""
"7225173","12.1488","0.001","10.8376","0.0008","12.125","0.0009","90","","107.254","0.003","90","","1524.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H17 N5 O3 Sn -","- C11 H17 N5 O3 Sn -","- C44 H68 N20 O12 Sn4 -","4","1","","Kundu, Subrata; Nagapradeep, N.; Mohapatra, Balaram; Biswas, Sourav; Verma, Sandeep; Chandrasekhar, Vadapalli","Organostannoxane-supported nucleobase arrays: synthesis and supramolecular structures of polymeric and molecular organotin complexes containing guanine, uracil and 2-aminopurine","CrystEngComm","2016","18","25","4807","","10.1039/C6CE00719H","","","0.71073","MoKα","","0.0637","0.0324","","","0.0617","0.0703","","","","","","1.023","","","","has coordinates","185206","2020-10-21","18:00:00",""
"7225174","13.03","0.005","11.026","0.005","17.428","0.005","90","0.005","100.716","0.005","90","0.005","2460.2","1.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H35 N5 O3 Sn -","- C20 H35 N5 O3 Sn -","- C80 H140 N20 O12 Sn4 -","4","1","","Kundu, Subrata; Nagapradeep, N.; Mohapatra, Balaram; Biswas, Sourav; Verma, Sandeep; Chandrasekhar, Vadapalli","Organostannoxane-supported nucleobase arrays: synthesis and supramolecular structures of polymeric and molecular organotin complexes containing guanine, uracil and 2-aminopurine","CrystEngComm","2016","18","25","4807","","10.1039/C6CE00719H","","","0.71069","MoKα","","0.0794","0.0487","","","0.1343","0.1475","","","","","","1.043","","","","has coordinates","185206","2020-10-21","18:00:00",""
"7225175","12.117","0.005","9.762","0.005","12.936","0.005","90","","103.504","0.005","90","","1487.8","1.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H17 N5 O3 Sn -","- C11 H17 N5 O3 Sn -","- C44 H68 N20 O12 Sn4 -","4","1","","Kundu, Subrata; Nagapradeep, N.; Mohapatra, Balaram; Biswas, Sourav; Verma, Sandeep; Chandrasekhar, Vadapalli","Organostannoxane-supported nucleobase arrays: synthesis and supramolecular structures of polymeric and molecular organotin complexes containing guanine, uracil and 2-aminopurine","CrystEngComm","2016","18","25","4807","","10.1039/C6CE00719H","","","0.71069","MoKα","","0.0455","0.0338","","","0.0782","0.0981","","","","","","1.118","","","","has coordinates","185206","2020-10-21","18:00:00",""
"7225176","16.6335","0.0008","18.0945","0.0009","15.1131","0.0008","90","","111.797","0.001","90","","4223.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H62 N4 O9 Sn2 -","- C34 H62 N4 O9 Sn2 -","- C136 H248 N16 O36 Sn8 -","4","1","","Kundu, Subrata; Nagapradeep, N.; Mohapatra, Balaram; Biswas, Sourav; Verma, Sandeep; Chandrasekhar, Vadapalli","Organostannoxane-supported nucleobase arrays: synthesis and supramolecular structures of polymeric and molecular organotin complexes containing guanine, uracil and 2-aminopurine","CrystEngComm","2016","18","25","4807","","10.1039/C6CE00719H","","","0.71073","MoKα","","0.0408","0.0341","","","0.0827","0.0863","","","","","","1.043","","","","has coordinates","185206","2020-10-21","18:00:00",""
"7225177","10.7847","0.0006","7.4633","0.0004","19.1432","0.001","90","","100.684","0.001","90","","1514.11","0.14","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H19 N5 O3 Sn -","- C11 H19 N5 O3 Sn -","- C44 H76 N20 O12 Sn4 -","4","1","","Kundu, Subrata; Nagapradeep, N.; Mohapatra, Balaram; Biswas, Sourav; Verma, Sandeep; Chandrasekhar, Vadapalli","Organostannoxane-supported nucleobase arrays: synthesis and supramolecular structures of polymeric and molecular organotin complexes containing guanine, uracil and 2-aminopurine","CrystEngComm","2016","18","25","4807","","10.1039/C6CE00719H","","","0.71073","MoKα","","0.0251","0.0223","","","0.0568","0.0599","","","","","","1.071","","","","has coordinates","185206","2020-10-21","18:00:00",""
"7225178","24.5009","0.0007","21.006","0.0006","35.5102","0.0011","90","","90","","90","","18275.9","0.9","293","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C10 H53 Ce Fe2 N6 O87 P2 W20 -","- C10 Ce0.99 Fe2 N6 O87 P2 W20 -","- C80 Ce7.92 Fe16 N48 O696 P16 W160 -","8","1","","Xue, Han; Zhang, Zhong; Pan, Rui; Yang, Bai-Feng; Liu, Hong-Sheng; Yang, Guo-Yu","Supramolecular nanotubes constructed from 3d‒4f heterometallic sandwiched polyoxotungstate dimers","CrystEngComm","2016","18","24","4643","","10.1039/C6CE00755D","","","0.71073","MoKα","","0.1415","0.0726","","","0.1401","0.1646","","","","","","1.064","","","","has coordinates","185214","2020-10-21","18:00:00",""
"7225179","24.4846","0.0014","21.2236","0.0013","35.6854","0.0016","90","","90","","90","","18544","1.8","293","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C10 H57 Fe2 La N6 O89 P2 W20 -","- C10 Fe2 La N6 O84 P2 W20 -","- C80 Fe16 La8 N48 O672 P16 W160 -","8","1","","Xue, Han; Zhang, Zhong; Pan, Rui; Yang, Bai-Feng; Liu, Hong-Sheng; Yang, Guo-Yu","Supramolecular nanotubes constructed from 3d‒4f heterometallic sandwiched polyoxotungstate dimers","CrystEngComm","2016","18","24","4643","","10.1039/C6CE00755D","","","0.71073","MoKα","","0.2144","0.0865","","","0.1245","0.151","","","","","","1.036","","","","has coordinates","185214","2020-10-21","18:00:00",""
"7225180","31.9258","0.0011","31.9258","0.0011","20.7484","0.0015","90","","90","","120","","18314.7","1.6","293","2","293","2","","","","","","","","8","P -3 c 1","-P 3 2""c","165","","","","- C12 H97 Fe2 N8 O105 P2 Sm W20 -","- C4 Fe2 O80 P2 Sm W20 -","- C24 Fe12 O480 P12 Sm6 W120 -","6","0.5","","Xue, Han; Zhang, Zhong; Pan, Rui; Yang, Bai-Feng; Liu, Hong-Sheng; Yang, Guo-Yu","Supramolecular nanotubes constructed from 3d‒4f heterometallic sandwiched polyoxotungstate dimers","CrystEngComm","2016","18","24","4643","","10.1039/C6CE00755D","","","0.71073","MoKα","","0.1255","0.0729","","","0.1463","0.1572","","","","","","1.014","","","","has coordinates","185214","2020-10-21","18:00:00",""
"7225181","31.9128","0.001","31.9128","0.001","20.7587","0.0009","90","","90","","120","","18308.8","1.1","293","2","293","2","","","","","","","","8","P -3 c 1","-P 3 2""c","165","","","","- C12 H89 Fe2 N8 O101 P2 Tb W20 -","- C8 Fe2 N4 O94.6667 P2 Tb W20 -","- C48 Fe12 N24 O568 P12 Tb6 W120 -","6","0.5","","Xue, Han; Zhang, Zhong; Pan, Rui; Yang, Bai-Feng; Liu, Hong-Sheng; Yang, Guo-Yu","Supramolecular nanotubes constructed from 3d‒4f heterometallic sandwiched polyoxotungstate dimers","CrystEngComm","2016","18","24","4643","","10.1039/C6CE00755D","","","0.71073","MoKα","","0.1124","0.0653","","","0.1512","0.1675","","","","","","1.046","","","","has coordinates","185214","2020-10-21","18:00:00",""
"7225182","28.6873","0.0009","28.6873","0.0009","15.9087","0.001","90","","90","","120","","11338.2","0.9","120","0.1","120","0.1","","","","","","","","5","R -3","-R 3","148","","dodeca(acetato)-hexa(chrysazinato)-hexa(N,N-dimethylformamide)-dodeca-cobalt(II) hexa(N,N'-dimethylformamide) solvate","","- C144 H156 Co12 N12 O60 -","- C126 H114 Co12 N6 O54 -","- C378 H342 Co36 N18 O162 -","3","","","Beldon, Patrick J.; Henke, Sebastian; Monserrat, Bartomeu; Tominaka, Satoshi; Stock, Norbert; Cheetham, Anthony K.","Transition metal coordination complexes of chrysazin","CrystEngComm","2016","18","27","5121","","10.1039/C5CE00792E","","x-ray","0.71073","MoKα","","0.1194","0.0538","","","0.1141","0.1331","","","","","","0.901","","","","has coordinates","185227","2020-10-21","18:00:00",""
"7225183","12.3354","0.0005","12.8534","0.0007","14.3146","0.0005","91.265","0.004","97.978","0.003","94.724","0.004","2238.71","0.17","121","1","121","1","","","","","","","","5","P -1","-P 1","2","","di(acetato)-di(chrysazinato)-pyridine-tri(N,N-dimethylformamide)-dodeca-cobalt(II) hexa(N,N-dimethylformamide) solvate","","- C46 H44 Co3 N4 O15 -","- C46 H44 Co3 N4 O15 -","- C92 H88 Co6 N8 O30 -","2","1","","Beldon, Patrick J.; Henke, Sebastian; Monserrat, Bartomeu; Tominaka, Satoshi; Stock, Norbert; Cheetham, Anthony K.","Transition metal coordination complexes of chrysazin","CrystEngComm","2016","18","27","5121","","10.1039/C5CE00792E","","","0.7107","MoKα","","0.0401","0.0298","","","0.0675","0.0722","","","","","","1.02","","","","has coordinates","185227","2020-10-21","18:00:00",""
"7225184","15.6278","0.0016","15.6996","0.0015","29.048","0.003","90.9201","0.001","104.139","0.0016","90.234","0.0013","6909.9","1.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","di[tetra(chrysazinato)-tetra(N,N-dimethylformamide)-tetra-cobalt(II)] di(N,N-dimethylformamide) solvate hemihydrate","","- C143.05 H120.45 Co8 N10.35 O42.85 -","- C142 H118 Co8 N10 O42.5 -","- C284 H236 Co16 N20 O85 -","2","1","","Beldon, Patrick J.; Henke, Sebastian; Monserrat, Bartomeu; Tominaka, Satoshi; Stock, Norbert; Cheetham, Anthony K.","Transition metal coordination complexes of chrysazin","CrystEngComm","2016","18","27","5121","","10.1039/C5CE00792E","","","0.71075","MoKα","","0.0696","0.0627","","","0.1777","0.1829","","","","","","1.07","","","","has coordinates,has disorder","185227","2020-10-21","18:00:00",""
"7225185","13.5308","0.0003","7.7288","0.0002","19.6854","0.0004","90","","99.38","0.002","90","","2031.11","0.08","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","di(chrysazinato)-di-copper(II)","","- C28 H12 Cu2 O8 -","- C28 H12 Cu2 O8 -","- C112 H48 Cu8 O32 -","4","1","","Beldon, Patrick J.; Henke, Sebastian; Monserrat, Bartomeu; Tominaka, Satoshi; Stock, Norbert; Cheetham, Anthony K.","Transition metal coordination complexes of chrysazin","CrystEngComm","2016","18","27","5121","","10.1039/C5CE00792E","","","1.5418","CuKα","","0.0364","0.0314","","","0.088","0.0921","","","","","","1.066","","","","has coordinates","185227","2020-10-21","18:00:00",""
"7225186","40.04","0.03","40.04","0.03","3.674","0.003","90","","90","","120","","5101","7","100","2","100","2","","","","","","","","5","R -3","-R 3","148","","di(chrysazinato)di-copper(II) N,N'-dimethylformamide solvate","","- C29.33 H15.11 Cu2 N0.44 O8.44 -","- C28 H12 Cu2 O8 -","- C252 H108 Cu18 O72 -","9","","","Beldon, Patrick J.; Henke, Sebastian; Monserrat, Bartomeu; Tominaka, Satoshi; Stock, Norbert; Cheetham, Anthony K.","Transition metal coordination complexes of chrysazin","CrystEngComm","2016","18","27","5121","","10.1039/C5CE00792E","","","0.6889","synchrotron","","0.0528","0.0503","","","0.1297","0.1317","","","","","","1.145","","","","has coordinates","185227","2020-10-21","18:00:00",""
"7225187","7.90242","0.00016","19.4909","0.0004","18.5266","0.0004","90","","90","","90","","2853.56","0.1","119.95","0.1","119.95","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","di(chrysazinato)-bis(dimethylsulfoxide)-di-copper(II)","","- C32 H24 Cu2 O10 S2 -","- C32 H24 Cu2 O10 S2 -","- C128 H96 Cu8 O40 S8 -","4","1","","Beldon, Patrick J.; Henke, Sebastian; Monserrat, Bartomeu; Tominaka, Satoshi; Stock, Norbert; Cheetham, Anthony K.","Transition metal coordination complexes of chrysazin","CrystEngComm","2016","18","27","5121","","10.1039/C5CE00792E","","x-ray","1.54184","CuKα","","0.0402","0.0378","","","0.0996","0.1019","","","","","","1.055","","","","has coordinates,has disorder","185227","2020-10-21","18:00:00",""
"7225188","10.0131","0.0004","8.4169","0.0004","18.1414","0.0008","90","","100.448","0.004","90","","1503.59","0.12","269.95","0.1","269.95","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H28 Fe N2 O10 -","- C34 H28 Fe N2 O10 -","- C68 H56 Fe2 N4 O20 -","2","0.5","","Beldon, Patrick J.; Henke, Sebastian; Monserrat, Bartomeu; Tominaka, Satoshi; Stock, Norbert; Cheetham, Anthony K.","Transition metal coordination complexes of chrysazin","CrystEngComm","2016","18","27","5121","","10.1039/C5CE00792E","","","1.54184","CuKα","","0.0444","0.0385","","","0.1055","0.1113","","","","","","1.039","","","","has coordinates","185227","2020-10-21","18:00:00",""
"7225189","8.2927","0.0004","15.5166","0.0007","15.8042","0.0006","118.226","0.004","92.344","0.004","92.239","0.004","1786.34","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","tri(chrysazinato)-di-iron(III) N,N-dimethylformamide solvate hemihydrate","","- C45 H26 Fe2 N O13.5 -","- C45 H26 Fe2 N O13.5 -","- C90 H52 Fe4 N2 O27 -","2","1","","Beldon, Patrick J.; Henke, Sebastian; Monserrat, Bartomeu; Tominaka, Satoshi; Stock, Norbert; Cheetham, Anthony K.","Transition metal coordination complexes of chrysazin","CrystEngComm","2016","18","27","5121","","10.1039/C5CE00792E","","x-ray","1.54184","CuKα","","0.0619","0.0516","","","0.1349","0.144","","","","","","1.022","","","","has coordinates","185227","2020-10-21","18:00:00",""
"7225190","28.6809","0.0007","28.6809","0.0007","15.8967","0.0004","90","","90","","120","","11324.6","0.5","120.1","0.14","120.1","0.14","","","","","","","","5","R -3","-R 3","148","","dodeca(acetato)-hexa(chrysazinato)-hexa(N,N-dimethylformamide)-tetra-cobalt(II) N,N-dimethylformamide solvate","","- C144 H156 N12 Ni12 O60 -","- C126 H114 N6 Ni12 O54 -","- C378 H342 N18 Ni36 O162 -","3","","","Beldon, Patrick J.; Henke, Sebastian; Monserrat, Bartomeu; Tominaka, Satoshi; Stock, Norbert; Cheetham, Anthony K.","Transition metal coordination complexes of chrysazin","CrystEngComm","2016","18","27","5121","","10.1039/C5CE00792E","","x-ray","1.54184","CuKα","","0.0319","0.0291","","","0.0831","0.0847","","","","","","1.048","","","","has coordinates","185227","2020-10-21","18:00:00",""
"7225191","9.7302","0.0006","13.4388","0.0005","17.0848","0.0007","95.504","0.003","97.873","0.004","95.172","0.004","2190.67","0.18","200","0.14","200","0.14","","","","","","","","5","P -1","-P 1","2","","tetra(acetato)-tetra(chrysazinato)-tetra(N,N-dimethylformamide)-hexa-nickel(II) bis(N,N-dimethylformamide) solvate","","- C88 H92 N8 Ni6 O32 -","- C88 H92 N8 Ni6 O32 -","- C88 H92 N8 Ni6 O32 -","1","0.5","","Beldon, Patrick J.; Henke, Sebastian; Monserrat, Bartomeu; Tominaka, Satoshi; Stock, Norbert; Cheetham, Anthony K.","Transition metal coordination complexes of chrysazin","CrystEngComm","2016","18","27","5121","","10.1039/C5CE00792E","","x-ray","1.54184","CuKα","","0.0719","0.0598","","","0.166","0.181","","","","","","1.025","","","","has coordinates,has disorder","185227","2020-10-21","18:00:00",""
"7225192","9.578","0.0007","11.0933","0.0008","20.1508","0.0014","90","","99.517","0.006","90","","2111.6","0.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H36 N8 Ni2 O20 -","- C40 H36 N8 Ni2 O20 -","- C80 H72 N16 Ni4 O40 -","2","0.5","","Beldon, Patrick J.; Henke, Sebastian; Monserrat, Bartomeu; Tominaka, Satoshi; Stock, Norbert; Cheetham, Anthony K.","Transition metal coordination complexes of chrysazin","CrystEngComm","2016","18","27","5121","","10.1039/C5CE00792E","","","0.71075","MoKα","","0.1422","0.0765","","","0.1479","0.1696","","","","","","1.135","","","","has coordinates","185227","2020-10-21","18:00:00",""
"7225193","9.422","0.0019","10.196","0.002","25.032","0.005","90","","96.37","0.03","90","","2389.9","0.8","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C54 H36 N2 O17 Zn3 -","- C54 H36 N2 O17 Zn3 -","- C108 H72 N4 O34 Zn6 -","2","1","","Hu, Shuzhi; You, Maolin; Chen, Shuhuang; Fu, Zhiyong","A fast-response photochromic host‒guest coordination polymer with a close-packed stacking structure","CrystEngComm","2016","18","38","7221","","10.1039/C6CE00727A","","","0.71073","MoKα","","0.1401","0.0593","","","0.1062","0.166","","","","","","0.974","","","","has coordinates","187032","2020-10-21","18:00:00",""
"7225194","15.7172","0.0009","4.0206","0.0002","17.5023","0.001","90","","114.595","0.001","90","","1005.67","0.1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H9 Br O3 -","- C10 H9 Br O3 -","- C40 H36 Br4 O12 -","4","1","","Veerakanellore, Giri Babu; Captain, Burjor; Ramamurthy, V.","Solid-state photochemistry of cis-cinnamic acids: a competition between [2 + 2] addition and cis‒trans isomerization","CrystEngComm","2016","18","25","4708","","10.1039/C6CE00682E","","","0.71073","MoKα","","0.0529","0.0362","","","0.0912","0.1001","","","","","","1.036","","","","has coordinates","185212","2020-10-21","18:00:00",""
"7225195","3.9208","0.0002","11.0581","0.0007","12.1034","0.0007","79.857","0.001","86.846","0.001","80.343","0.001","509.07","0.05","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C11 H12 O4 -","- C11 H12 O4 -","- C22 H24 O8 -","2","1","","Veerakanellore, Giri Babu; Captain, Burjor; Ramamurthy, V.","Solid-state photochemistry of cis-cinnamic acids: a competition between [2 + 2] addition and cis‒trans isomerization","CrystEngComm","2016","18","25","4708","","10.1039/C6CE00682E","","","0.71073","MoKα","","0.0435","0.039","","","0.1037","0.1078","","","","","","1.046","","","","has coordinates","185212","2020-10-21","18:00:00",""
"7225196","4.0982","0.0003","13.3942","0.0009","20.0019","0.0014","90","","91.125","0.001","90","","1097.73","0.13","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 O3 -","- C12 H12 O3 -","- C48 H48 O12 -","4","1","","Veerakanellore, Giri Babu; Captain, Burjor; Ramamurthy, V.","Solid-state photochemistry of cis-cinnamic acids: a competition between [2 + 2] addition and cis‒trans isomerization","CrystEngComm","2016","18","25","4708","","10.1039/C6CE00682E","","","0.71073","MoKα","","0.0622","0.0554","","","0.164","0.1714","","","","","","1.055","","","","has coordinates","185212","2020-10-21","18:00:00",""
"7225197","18.77","0.002","4.742","0.0005","23.122","0.003","90","","90.86","0.001","90","","2057.8","0.4","296","","296","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H9 Br O3 -","- C10 H9 Br O3 -","- C80 H72 Br8 O24 -","8","1","","Veerakanellore, Giri Babu; Captain, Burjor; Ramamurthy, V.","Solid-state photochemistry of cis-cinnamic acids: a competition between [2 + 2] addition and cis‒trans isomerization","CrystEngComm","2016","18","25","4708","","10.1039/C6CE00682E","","","0.71073","MoKα","","0.055","0.0443","","","0.1043","0.1109","","","","","","1.075","","","","has coordinates","185212","2020-10-21","18:00:00",""
"7225198","9.9527","0.0005","10.3401","0.0005","12.2625","0.0006","82.421","0.0008","83.5482","0.0009","82.2157","0.0009","1233.65","0.11","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C27.5 H28 O6 -","- C27.5 H28 O6 -","- C55 H56 O12 -","2","1","","Veerakanellore, Giri Babu; Captain, Burjor; Ramamurthy, V.","Solid-state photochemistry of cis-cinnamic acids: a competition between [2 + 2] addition and cis‒trans isomerization","CrystEngComm","2016","18","25","4708","","10.1039/C6CE00682E","","","0.71073","MoKα","","0.0746","0.0668","","","0.1925","0.2028","","","","","","1.042","","","","has coordinates,has disorder","185212","2020-10-21","18:00:00",""
"7225199","7.738","0.0006","8.1099","0.0006","10.0048","0.0008","71.822","0.001","84.921","0.001","64.415","0.001","537.24","0.07","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H12 O3 -","- C12 H12 O3 -","- C24 H24 O6 -","2","1","","Veerakanellore, Giri Babu; Captain, Burjor; Ramamurthy, V.","Solid-state photochemistry of cis-cinnamic acids: a competition between [2 + 2] addition and cis‒trans isomerization","CrystEngComm","2016","18","25","4708","","10.1039/C6CE00682E","","","0.71073","MoKα","","0.0719","0.0617","","","0.1697","0.1813","","","","","","1.062","","","","has coordinates","185212","2020-10-21","18:00:00",""
"7225200","7.5522","0.0009","8.1546","0.001","8.99","0.0011","91.546","0.002","111.209","0.002","94.653","0.002","513.5","0.11","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C11 H12 O4 -","- C11 H12 O4 -","- C22 H24 O8 -","2","1","","Veerakanellore, Giri Babu; Captain, Burjor; Ramamurthy, V.","Solid-state photochemistry of cis-cinnamic acids: a competition between [2 + 2] addition and cis‒trans isomerization","CrystEngComm","2016","18","25","4708","","10.1039/C6CE00682E","","","0.71073","MoKα","","0.0669","0.0484","","","0.1301","0.1484","","","","","","1.032","","","","has coordinates","185212","2020-10-21","18:00:00",""
"7225201","8.3783","0.0004","9.3392","0.0005","9.5107","0.0005","75.719","0.001","82.633","0.001","69.677","0.001","675.55","0.06","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C31 H32 O6 -","- C31 H32 O6 -","- C31 H32 O6 -","1","0.5","","Veerakanellore, Giri Babu; Captain, Burjor; Ramamurthy, V.","Solid-state photochemistry of cis-cinnamic acids: a competition between [2 + 2] addition and cis‒trans isomerization","CrystEngComm","2016","18","25","4708","","10.1039/C6CE00682E","","","0.71073","MoKα","","0.0536","0.0483","","","0.1307","0.1376","","","","","","1.045","","","","has coordinates,has disorder","185212","2020-10-21","18:00:00",""
"7225202","9.0513","0.0005","10.3906","0.0005","14.5614","0.0007","108.141","0.001","102.794","0.001","94.194","0.001","1254.09","0.11","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H26 Br2 O9 -","- C22 H26 Br2 O9 -","- C44 H52 Br4 O18 -","2","1","","Veerakanellore, Giri Babu; Captain, Burjor; Ramamurthy, V.","Solid-state photochemistry of cis-cinnamic acids: a competition between [2 + 2] addition and cis‒trans isomerization","CrystEngComm","2016","18","25","4708","","10.1039/C6CE00682E","","","0.71073","MoKα","","0.0649","0.0482","","","0.1227","0.1317","","","","","","1.031","","","","has coordinates","185212","2020-10-21","18:00:00",""
"7225203","26.9829","0.001","37.6059","0.0015","19.3314","0.0007","90","","90","","90","","19615.9","1.3","296","2","296","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C32 H38 Cu2 Mo16 N24 O57 -","- C32 H32 Cu2 Mo16 N24 O57 -","- C256 H256 Cu16 Mo128 N192 O456 -","8","0.5","","Wang, Xiu-Li; Rong, Xing; Liu, Dan-Na; Lin, Hong-Yan; Liu, Guo-Cheng; Wang, Xiang; Song, Ge","Diverse polyoxometalate-based metal‒organic complexes constructed by a tetrazole- and pyridyl-containing asymmetric amide ligand or its in situ transformed ligand","CrystEngComm","2016","18","27","5101","","10.1039/C6CE01035K","","","0.71073","MoKα","","0.0828","0.0561","","","0.1605","0.1743","","","","","","1.081","","","","has coordinates","185230","2020-10-21","18:00:00",""
"7225204","27.09","0.0013","38.276","0.0013","19.107","0.0008","90","","90","","90","","19812","1.4","296","2","296","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C16 H22 Co Mo8 N12 O30 -","- C16 H16 Co Mo8 N12 O30 -","- C256 H256 Co16 Mo128 N192 O480 -","16","1","","Wang, Xiu-Li; Rong, Xing; Liu, Dan-Na; Lin, Hong-Yan; Liu, Guo-Cheng; Wang, Xiang; Song, Ge","Diverse polyoxometalate-based metal‒organic complexes constructed by a tetrazole- and pyridyl-containing asymmetric amide ligand or its in situ transformed ligand","CrystEngComm","2016","18","27","5101","","10.1039/C6CE01035K","","","0.71069","MoKα","","0.0746","0.0475","","","0.1396","0.1507","","","","","","1.082","","","","has coordinates","185230","2020-10-21","18:00:00",""
"7225205","12.932","0.0004","18.982","0.0006","21.457","0.0007","90","","102.729","0.001","90","","5137.7","0.3","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H46 Ag4 Mo24 N24 O90 P2 -","- C32 H32 Ag4 Mo24 N24 O90 P2 -","- C64 H64 Ag8 Mo48 N48 O180 P4 -","2","0.5","","Wang, Xiu-Li; Rong, Xing; Liu, Dan-Na; Lin, Hong-Yan; Liu, Guo-Cheng; Wang, Xiang; Song, Ge","Diverse polyoxometalate-based metal‒organic complexes constructed by a tetrazole- and pyridyl-containing asymmetric amide ligand or its in situ transformed ligand","CrystEngComm","2016","18","27","5101","","10.1039/C6CE01035K","","","0.71069","MoKα","","0.0523","0.0486","","","0.1104","0.1121","","","","","","1.031","","","","has coordinates","185230","2020-10-21","18:00:00",""
"7225206","12.7322","0.001","13.6706","0.0011","16.522","0.0014","89.582","0.002","87.082","0.002","86.877","0.002","2867.7","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H38 Ag N6 O49 P W12 -","- C21 H24 Ag N6 O49 P W12 -","- C42 H48 Ag2 N12 O98 P2 W24 -","2","1","","Wang, Xiu-Li; Rong, Xing; Liu, Dan-Na; Lin, Hong-Yan; Liu, Guo-Cheng; Wang, Xiang; Song, Ge","Diverse polyoxometalate-based metal‒organic complexes constructed by a tetrazole- and pyridyl-containing asymmetric amide ligand or its in situ transformed ligand","CrystEngComm","2016","18","27","5101","","10.1039/C6CE01035K","","","0.71073","MoKα","","0.0981","0.0722","","","0.1954","0.2218","","","","","","1.029","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7225207","5.7985","0.0011","11.964","0.003","17.496","0.003","101.978","0.007","97.828","0.007","90.114","0.008","1175.7","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H21 F4 N3 O5 S -","- C25 H21 F4 N3 O5 S -","- C50 H42 F8 N6 O10 S2 -","2","1","","Surov, Artem O.; Solanko, Katarzyna A.; Bond, Andrew D.; Bauer-Brandl, Annette; Perlovich, German L.","Cocrystals of the antiandrogenic drug bicalutamide: screening, crystal structures, formation thermodynamics and lattice energies","CrystEngComm","2016","18","25","4818","","10.1039/C6CE00931J","","","0.71073","MoKα","","0.0828","0.0536","","","0.1214","0.1308","","","","","","1.125","","","","has coordinates","185213","2020-10-21","18:00:00",""
"7225208","5.8888","0.0003","21.5969","0.0011","19.2814","0.001","90","","97.821","0.002","90","","2429.4","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H21 F4 N3 O6 S -","- C25 H21 F4 N3 O6 S -","- C100 H84 F16 N12 O24 S4 -","4","1","","Surov, Artem O.; Solanko, Katarzyna A.; Bond, Andrew D.; Bauer-Brandl, Annette; Perlovich, German L.","Cocrystals of the antiandrogenic drug bicalutamide: screening, crystal structures, formation thermodynamics and lattice energies","CrystEngComm","2016","18","25","4818","","10.1039/C6CE00931J","","","0.71073","MoKα","","0.0389","0.03","","","0.0696","0.0741","","","","","","1.028","","","","has coordinates","185213","2020-10-21","18:00:00",""
"7225235","18.188","0.004","22.992","0.005","14.357","0.003","90","","125.36","0.03","90","","4896","3","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C18 H90 Cd3 N18 O51 Sb6 V15 -","- C18 H72 Cd3 N18 O51 Sb6 V15 -","- C36 H144 Cd6 N36 O102 Sb12 V30 -","2","0.5","","Guo, Hai-Yang; Zhang, Xiao; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","Vanadoantimonates: from discrete clusters to high dimensional aggregates","CrystEngComm","2016","18","27","5130","","10.1039/C6CE00616G","","","0.71073","MoKα","","0.1059","0.083","","","0.2124","0.2305","","","","","","1.022","","","","has coordinates","185228","2020-10-21","18:00:00",""
"7225236","12.4887","0.0007","12.4887","0.0007","39.986","0.005","90","","90","","120","","5401","0.8","292","2","292","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C12 H62 N12 Ni2 O48 Sb6 V15 -","- C12 H42 N12 Ni2 O48 Sb6 V15 -","- C36 H126 N36 Ni6 O144 Sb18 V45 -","3","0.333333","","Guo, Hai-Yang; Zhang, Xiao; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","Vanadoantimonates: from discrete clusters to high dimensional aggregates","CrystEngComm","2016","18","27","5130","","10.1039/C6CE00616G","","","0.71073","MoKα","","0.0995","0.089","","","0.2245","0.2432","","","","","","1.076","","","","has coordinates","185228","2020-10-21","18:00:00",""
"7225237","12.4543","0.0018","12.4543","0.0018","39.916","0.008","90","","90","","120","","5361.9","1.5","293","2","293","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C12 H62 Co2 N12 O48 Sb6 V15 -","- C12 H42 Co2 N12 O48 Sb6 V15 -","- C36 H126 Co6 N36 O144 Sb18 V45 -","3","0.333333","","Guo, Hai-Yang; Zhang, Xiao; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","Vanadoantimonates: from discrete clusters to high dimensional aggregates","CrystEngComm","2016","18","27","5130","","10.1039/C6CE00616G","","","0.71073","MoKα","","0.0608","0.0501","","","0.1324","0.1415","","","","","","1.038","","","","has coordinates","185228","2020-10-21","18:00:00",""
"7225238","13.6766","0.001","11.9042","0.0005","19.2758","0.0015","90","","109.348","0.009","90","","2961","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- H16 O48 Sb8 V14 -","- O48 Sb8 V14 -","- O96 Sb16 V28 -","2","0.5","","Guo, Hai-Yang; Zhang, Xiao; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","Vanadoantimonates: from discrete clusters to high dimensional aggregates","CrystEngComm","2016","18","27","5130","","10.1039/C6CE00616G","","","0.71073","MoKα","","0.1011","0.0676","","","0.1731","0.2071","","","","","","1.021","","","","has coordinates","185228","2020-10-21","18:00:00",""
"7225239","29.05","0.006","15.812","0.003","21.821","0.004","90","","128.43","0.03","90","","7852","4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H70 Co2 N12 O47 Sb8 V14 -","- C18 H60 Co2 N12 O47 Sb8 V14 -","- C72 H240 Co8 N48 O188 Sb32 V56 -","4","0.5","","Guo, Hai-Yang; Zhang, Xiao; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","Vanadoantimonates: from discrete clusters to high dimensional aggregates","CrystEngComm","2016","18","27","5130","","10.1039/C6CE00616G","","","0.71073","MoKα","","0.0533","0.0405","","","0.0949","0.0988","","","","","","1.08","","","","has coordinates","185228","2020-10-21","18:00:00",""
"7225240","7.488","0.0015","13.035","0.003","15.569","0.003","105.68","0.03","101.8","0.03","90.67","0.03","1428.5","0.6","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C33 H30 Cl2 O8 -","- C33 H30 Cl2 O8 -","- C66 H60 Cl4 O16 -","2","1","","Wojciechowski, Jonathan P.; Martin, Adam D.; Bhadbhade, Mohan; Webb, James E. A.; Thordarson, Pall","Halogen bonding influences perylene-core twists in non-core substituted perylene tetraesters","CrystEngComm","2016","18","24","4513","","10.1039/C6CE00929H","","","0.71073","MoKα","","0.0541","0.0505","","","0.1346","0.1374","","","","","","1.069","","","","has coordinates","185222","2020-10-21","18:00:00",""
"7225241","7.523","0.0015","11.901","0.002","15.487","0.003","107.5","0.03","101.49","0.03","96.92","0.03","1271.5","0.5","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C32 H28 O8 -","- C32 H28 O8 -","- C64 H56 O16 -","2","1","","Wojciechowski, Jonathan P.; Martin, Adam D.; Bhadbhade, Mohan; Webb, James E. A.; Thordarson, Pall","Halogen bonding influences perylene-core twists in non-core substituted perylene tetraesters","CrystEngComm","2016","18","24","4513","","10.1039/C6CE00929H","","","0.71073","MoKα","","0.0636","0.0527","","","0.1349","0.1432","","","","","","1.038","","","","has coordinates","185222","2020-10-21","18:00:00",""
"7225242","26.689","0.005","15.869","0.003","7.169","0.0014","90","","101.83","0.03","90","","2971.8","1","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H28 Cl2 O8 -","- C34 H28 Cl2 O8 -","- C136 H112 Cl8 O32 -","4","0.5","","Wojciechowski, Jonathan P.; Martin, Adam D.; Bhadbhade, Mohan; Webb, James E. A.; Thordarson, Pall","Halogen bonding influences perylene-core twists in non-core substituted perylene tetraesters","CrystEngComm","2016","18","24","4513","","10.1039/C6CE00929H","","","0.71073","MoKα","","0.1024","0.0884","","","0.2488","0.2597","","","","","","1.768","","","","has coordinates","185222","2020-10-21","18:00:00",""
"7225243","7.312","0.0015","23.629","0.005","20.889","0.004","90","","90","","90","","3609.1","1.3","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C34 H30 Br6 O8 -","- C34 H30 Br6 O8 -","- C136 H120 Br24 O32 -","4","1","","Wojciechowski, Jonathan P.; Martin, Adam D.; Bhadbhade, Mohan; Webb, James E. A.; Thordarson, Pall","Halogen bonding influences perylene-core twists in non-core substituted perylene tetraesters","CrystEngComm","2016","18","24","4513","","10.1039/C6CE00929H","","","0.71073","MoKα","","0.0506","0.0498","","","0.1304","0.131","","","","","","1.047","","","","has coordinates","185222","2020-10-21","18:00:00",""
"7225244","17.042","0.01","19.312","0.011","25.505","0.015","111.723","0.008","93.518","0.008","102.47","0.008","7521","8","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C139 H155 N7 O26 Zn8 -","- C139 H155 N7 O26 Zn8 -","- C278 H310 N14 O52 Zn16 -","2","1","","Kumari, Harshita; Mayhan, Collin M.; Barnes, Charles L.; Deakyne, Carol A.; Atwood, Jerry L.","Metal exchange study of pyrogallol[4]arene based dimers","CrystEngComm","2016","18","26","4909","","10.1039/C6CE00639F","","","0.71073","MoKα","","0.3279","0.1297","","","0.3363","0.446","","","","","","1.006","","","","has coordinates","185189","2020-10-21","18:00:00",""
"7225245","23.519","0.004","23.519","0.004","10.8159","0.0013","90","","90","","120","","5181.2","1.4","120","2","120","2","","","","","","","","3","P 3 c 1","P 3 -2""c","158","","9,10-Dimethyl-2,3,6,7,14,15-hexa-hydroxytriptycene tetrahydrofuran solvate","","- C35.6 H45.2 O9.4 -","- C34 H42 O9 -","- C204 H252 O54 -","6","1","","Greatorex, Sam; Halcrow, Malcolm A.","Highly porous hydrogen-bond networks from a triptycene-based catechol","CrystEngComm","2016","18","25","4695","","10.1039/C6CE00966B","","","0.71073","MoKα","","0.144","0.0987","","","0.2474","0.2724","","","","","","1.103","","","","has coordinates","185207","2020-10-21","18:00:00",""
"7225246","13.3213","0.0002","13.3213","0.0002","31.0721","0.0006","90","","90","","90","","5513.96","0.16","120","2","120","2","","","","","","","","3","I 41 c d","I 4bw -2c","110","","9,10-Dimethyl-2,3,6,7,14,15-hexa-hydroxytriptycene diethyl ether solvate","","- C30 H38 O8 -","- C30 H38 O8 -","- C240 H304 O64 -","8","0.5","","Greatorex, Sam; Halcrow, Malcolm A.","Highly porous hydrogen-bond networks from a triptycene-based catechol","CrystEngComm","2016","18","25","4695","","10.1039/C6CE00966B","","","1.54184","CuKα","","0.0455","0.0451","","","0.1161","0.1168","","","","","","1.041","","","","has coordinates,has disorder","185207","2020-10-21","18:00:00",""
"7225247","8.8058","0.0005","9.1775","0.0006","14.0128","0.0008","84.071","0.005","85.136","0.004","82.927","0.005","1114.83","0.12","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","9,10-Dimethyl-2,3,6,7,14,15-hexa-hydroxytriptycene ethyl acetate solvate","","- C26 H26 O8 -","- C26 H26 O8 -","- C52 H52 O16 -","2","1","","Greatorex, Sam; Halcrow, Malcolm A.","Highly porous hydrogen-bond networks from a triptycene-based catechol","CrystEngComm","2016","18","25","4695","","10.1039/C6CE00966B","","","1.54184","CuKα","","0.0719","0.0622","","","0.176","0.1941","","","","","","1.042","","","","has coordinates,has disorder","185207","2020-10-21","18:00:00",""
"7225248","23.2178","0.0016","25.566","0.002","10.7276","0.0007","90","","116.349","0.006","90","","5706.2","0.8","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","9,10-Dimethyl-2,3,6,7,14,15-hexa-hydroxytriptycene chloroform solvate","","- C24.15 H20.15 Cl6.44 O6 -","- C23 H19 Cl3 O6 -","- C184 H152 Cl24 O48 -","8","1","","Greatorex, Sam; Halcrow, Malcolm A.","Highly porous hydrogen-bond networks from a triptycene-based catechol","CrystEngComm","2016","18","25","4695","","10.1039/C6CE00966B","","","1.54184","CuKα","","0.1144","0.0868","","","0.2545","0.2839","","","","","","1.046","","","","has coordinates,has disorder","185207","2020-10-21","18:00:00",""
"7225249","13.1161","0.0004","11.8371","0.0003","24.858","0.0007","90","","97.306","0.003","90","","3828.03","0.19","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","9,10-Dimethyl-2,3,6,7-tetra-hydroxytriptycene hemihydratehemi-diethyl ether solvate","","- C24 H24 O5 -","- C24 H23 O5 -","- C192 H184 O40 -","8","2","","Greatorex, Sam; Halcrow, Malcolm A.","Highly porous hydrogen-bond networks from a triptycene-based catechol","CrystEngComm","2016","18","25","4695","","10.1039/C6CE00966B","","","1.54184","CuKα","","0.1069","0.0683","","","0.1783","0.206","","","","","","1.034","","","","has coordinates,has disorder","185207","2020-10-21","18:00:00",""
"7225250","9.6831","0.0002","11.9425","0.0002","18.3518","0.0004","90","","90","","90","","2122.21","0.07","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","9,10-Dimethyl-2,3,6,7-tetra-hydroxytriptycene 1,4-dioxane solvate","","- C26 H26 O6 -","- C26 H26 O6 -","- C104 H104 O24 -","4","1","","Greatorex, Sam; Halcrow, Malcolm A.","Highly porous hydrogen-bond networks from a triptycene-based catechol","CrystEngComm","2016","18","25","4695","","10.1039/C6CE00966B","","","1.54184","CuKα","","0.0401","0.038","","","0.0974","0.0994","","","","","","1.055","","","","has coordinates","185207","2020-10-21","18:00:00",""
"7225251","8.7138","0.0004","14.7312","0.0007","15.9961","0.0008","90","","90","","90","","2053.34","0.17","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","9,10-Dimethyl-2,3,6,7-tetra-methoxytriptycene","","- C26 H26 O4 -","- C26 H26 O4 -","- C104 H104 O16 -","4","1","","Greatorex, Sam; Halcrow, Malcolm A.","Highly porous hydrogen-bond networks from a triptycene-based catechol","CrystEngComm","2016","18","25","4695","","10.1039/C6CE00966B","","","0.71073","MoKα","","0.0745","0.0534","","","0.1147","0.1247","","","","","","1.064","","","","has coordinates","185207","2020-10-21","18:00:00",""
"7225253","7.651","0.0015","21.538","0.004","12.283","0.003","90","","98.89","0.03","90","","1999.8","0.7","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C34 H36 Dy N5 O22 -","- C34 H26 Dy N5 O17 -","- C68 H52 Dy2 N10 O34 -","2","0.5","","Du, Pei-Yao; Gu, Wen; Liu, Xin","Three types of lanthanide coordination polymers from 1D to 3D based on a tetracarboxylate ligand: synthesis, structural diversities and properties","CrystEngComm","2016","18","27","5140","","10.1039/C6CE00600K","","","0.71073","MoKα","","0.0743","0.0715","","","0.1849","0.1877","","","","","","1.084","","","","has coordinates,has disorder","185226","2020-10-21","18:00:00",""
"7225254","7.6434","0.0015","21.477","0.004","12.246","0.002","90","","98.6","0.03","90","","1987.7","0.6","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C34 H36 Er N5 O22 -","- C34 H26 Er N5 O17 -","- C68 H52 Er2 N10 O34 -","2","0.5","","Du, Pei-Yao; Gu, Wen; Liu, Xin","Three types of lanthanide coordination polymers from 1D to 3D based on a tetracarboxylate ligand: synthesis, structural diversities and properties","CrystEngComm","2016","18","27","5140","","10.1039/C6CE00600K","","","0.71073","MoKα","","0.0734","0.0693","","","0.1758","0.1794","","","","","","1.093","","","","has coordinates,has disorder","185226","2020-10-21","18:00:00",""
"7225255","7.6624","0.0015","21.609","0.004","12.271","0.003","90","","98.79","0.03","90","","2007.9","0.7","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C34 H36 Gd N5 O22 -","- C34 H26 Gd N5 O17 -","- C68 H52 Gd2 N10 O34 -","2","0.5","","Du, Pei-Yao; Gu, Wen; Liu, Xin","Three types of lanthanide coordination polymers from 1D to 3D based on a tetracarboxylate ligand: synthesis, structural diversities and properties","CrystEngComm","2016","18","27","5140","","10.1039/C6CE00600K","","","0.71073","MoKα","","0.0941","0.0838","","","0.2225","0.2311","","","","","","1.1","","","","has coordinates,has disorder","185226","2020-10-21","18:00:00",""
"7225256","7.6418","0.0015","21.485","0.004","12.249","0.002","90","","98.71","0.03","90","","1987.9","0.6","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C34 H36 N5 O22 Tm -","- C34 H27 N5 O17 Tm -","- C68 H54 N10 O34 Tm2 -","2","0.5","","Du, Pei-Yao; Gu, Wen; Liu, Xin","Three types of lanthanide coordination polymers from 1D to 3D based on a tetracarboxylate ligand: synthesis, structural diversities and properties","CrystEngComm","2016","18","27","5140","","10.1039/C6CE00600K","","","0.71073","MoKα","","0.0687","0.0665","","","0.1764","0.179","","","","","","1.099","","","","has coordinates,has disorder","185226","2020-10-21","18:00:00",""
"7225257","5.0156","0.001","18.675","0.004","22.796","0.005","90","","95.41","0.03","90","","2125.7","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 N3 O10 Tm -","- C20 H18 N3 O10 Tm -","- C80 H72 N12 O40 Tm4 -","4","1","","Du, Pei-Yao; Gu, Wen; Liu, Xin","Three types of lanthanide coordination polymers from 1D to 3D based on a tetracarboxylate ligand: synthesis, structural diversities and properties","CrystEngComm","2016","18","27","5140","","10.1039/C6CE00600K","","","0.71073","MoKα","","0.0453","0.0374","","","0.074","0.0774","","","","","","1.154","","","","has coordinates","185226","2020-10-21","18:00:00",""
"7225258","6.8757","0.0014","11.325","0.002","13.463","0.003","102.54","0.03","102.36","0.03","90.49","0.03","997.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H18 Gd N3 O11 -","- C19 H18 Gd N3 O11 -","- C38 H36 Gd2 N6 O22 -","2","1","","Du, Pei-Yao; Gu, Wen; Liu, Xin","Three types of lanthanide coordination polymers from 1D to 3D based on a tetracarboxylate ligand: synthesis, structural diversities and properties","CrystEngComm","2016","18","27","5140","","10.1039/C6CE00600K","","","0.71073","MoKα","","0.023","0.0213","","","0.0562","0.0569","","","","","","1.063","","","","has coordinates","185226","2020-10-21","18:00:00",""
"7225259","6.9004","0.0014","11.235","0.002","13.381","0.003","102.47","0.03","101.76","0.03","90.56","0.03","990.1","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H18 Er N3 O11 -","- C19 H18 Er N3 O11 -","- C38 H36 Er2 N6 O22 -","2","1","","Du, Pei-Yao; Gu, Wen; Liu, Xin","Three types of lanthanide coordination polymers from 1D to 3D based on a tetracarboxylate ligand: synthesis, structural diversities and properties","CrystEngComm","2016","18","27","5140","","10.1039/C6CE00600K","","","0.71073","MoKα","","0.0535","0.044","","","0.0892","0.0931","","","","","","0.977","","","","has coordinates","185226","2020-10-21","18:00:00",""
"7225260","6.9043","0.0014","11.198","0.002","13.366","0.003","102.73","0.03","101.74","0.03","90.49","0.03","985.4","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H18 N3 O11 Tm -","- C19 H18 N3 O11 Tm -","- C38 H36 N6 O22 Tm2 -","2","1","","Du, Pei-Yao; Gu, Wen; Liu, Xin","Three types of lanthanide coordination polymers from 1D to 3D based on a tetracarboxylate ligand: synthesis, structural diversities and properties","CrystEngComm","2016","18","27","5140","","10.1039/C6CE00600K","","","0.71073","MoKα","","0.0198","0.0179","","","0.0455","0.0459","","","","","","1.048","","","","has coordinates","185226","2020-10-21","18:00:00",""
"7225261","8.476","0.002","9.029","0.002","10.274","0.003","73.979","0.003","85.725","0.003","84.377","0.003","751.2","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H10 Cd Cl N6 O -","- C12 H10 Cd Cl N6 O -","- C24 H20 Cd2 Cl2 N12 O2 -","2","1","","Wan, Jun; Cai, Song-Liang; Zhang, Kai; Li, Chao-Jie; Feng, Ying; Fan, Jun; Zheng, Sheng-Run; Zhang, Wei-Guang","Anion- and temperature-dependent assembly, crystal structures and luminescence properties of six new Cd(ii) coordination polymers based on 2,3,5,6-tetrakis(2-pyridyl)pyrazine","CrystEngComm","2016","18","27","5164","","10.1039/C6CE00853D","","","0.71073","MoKα","","0.0314","0.028","","","0.0696","0.072","","","","","","1.048","","","","has coordinates","185231","2020-10-21","18:00:00",""
"7225262","6.3373","0.0008","10.7022","0.0014","11.3187","0.0015","107.774","0.002","95.235","0.002","104.287","0.001","696.78","0.16","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H8 Cd N7 O3 -","- C12 H8 Cd N7 O3 -","- C24 H16 Cd2 N14 O6 -","2","1","","Wan, Jun; Cai, Song-Liang; Zhang, Kai; Li, Chao-Jie; Feng, Ying; Fan, Jun; Zheng, Sheng-Run; Zhang, Wei-Guang","Anion- and temperature-dependent assembly, crystal structures and luminescence properties of six new Cd(ii) coordination polymers based on 2,3,5,6-tetrakis(2-pyridyl)pyrazine","CrystEngComm","2016","18","27","5164","","10.1039/C6CE00853D","","","0.71073","MoKα","","0.0302","0.0264","","","0.0597","0.0617","","","","","","1.058","","","","has coordinates","185231","2020-10-21","18:00:00",""
"7225263","10.5519","0.0014","12.7771","0.0017","11.4874","0.0015","90","","93.251","0.002","90","","1546.3","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 Cd N6 O3 -","- C14 H13 Cd N6 O3 -","- C56 H52 Cd4 N24 O12 -","4","1","","Wan, Jun; Cai, Song-Liang; Zhang, Kai; Li, Chao-Jie; Feng, Ying; Fan, Jun; Zheng, Sheng-Run; Zhang, Wei-Guang","Anion- and temperature-dependent assembly, crystal structures and luminescence properties of six new Cd(ii) coordination polymers based on 2,3,5,6-tetrakis(2-pyridyl)pyrazine","CrystEngComm","2016","18","27","5164","","10.1039/C6CE00853D","","","0.71073","MoKα","","0.042","0.0292","","","0.0629","0.069","","","","","","1.013","","","","has coordinates","185231","2020-10-21","18:00:00",""
"7225264","21.508","0.004","14.936","0.003","10.109","0.002","90","","95.266","0.002","90","","3233.7","1.1","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H16 Cd3 N24 -","- C24 H16 Cd3 N24 -","- C96 H64 Cd12 N96 -","4","0.5","","Wan, Jun; Cai, Song-Liang; Zhang, Kai; Li, Chao-Jie; Feng, Ying; Fan, Jun; Zheng, Sheng-Run; Zhang, Wei-Guang","Anion- and temperature-dependent assembly, crystal structures and luminescence properties of six new Cd(ii) coordination polymers based on 2,3,5,6-tetrakis(2-pyridyl)pyrazine","CrystEngComm","2016","18","27","5164","","10.1039/C6CE00853D","","","0.71073","MoKα","","0.051","0.0366","","","0.096","0.106","","","","","","1.045","","","","has coordinates","185231","2020-10-21","18:00:00",""
"7225265","24.09","0.002","14.7011","0.0014","20.418","0.002","90","","122.311","0.001","90","","6111.4","1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H20 Cd2 N14 O7 -","- C25 H20 Cd2 N14 O7 -","- C200 H160 Cd16 N112 O56 -","8","1","","Wan, Jun; Cai, Song-Liang; Zhang, Kai; Li, Chao-Jie; Feng, Ying; Fan, Jun; Zheng, Sheng-Run; Zhang, Wei-Guang","Anion- and temperature-dependent assembly, crystal structures and luminescence properties of six new Cd(ii) coordination polymers based on 2,3,5,6-tetrakis(2-pyridyl)pyrazine","CrystEngComm","2016","18","27","5164","","10.1039/C6CE00853D","","","0.71073","MoKα","","0.0546","0.0326","","","0.069","0.0795","","","","","","1.03","","","","has coordinates","185231","2020-10-21","18:00:00",""
"7225266","13.076","0.008","12.914","0.008","11.69","0.007","90","","104.749","0.008","90","","1909","2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 Cd2 N12 O2 -","- C14 H11 Cd2 N12 O2 -","- C56 H44 Cd8 N48 O8 -","4","1","","Wan, Jun; Cai, Song-Liang; Zhang, Kai; Li, Chao-Jie; Feng, Ying; Fan, Jun; Zheng, Sheng-Run; Zhang, Wei-Guang","Anion- and temperature-dependent assembly, crystal structures and luminescence properties of six new Cd(ii) coordination polymers based on 2,3,5,6-tetrakis(2-pyridyl)pyrazine","CrystEngComm","2016","18","27","5164","","10.1039/C6CE00853D","","","0.71073","MoKα","","0.0559","0.0358","","","0.068","0.0764","","","","","","1.078","","","","has coordinates","185231","2020-10-21","18:00:00",""
"7225280","12.9417","0.0002","21.8435","0.0003","15.0559","0.0002","90","","94.18","0.0013","90","","4244.86","0.1","123","1","123","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Cu1.5 H24.5 O52.25 P W12 -","- Cu1.5 O52.25 P W12 -","- Cu6 O209 P4 W48 -","4","1","","Bajpe, Sneha R.; Henke, Sebastian; Lee, Jung-Hoon; Bristowe, Paul D.; Cheetham, Anthony K.","Disorder and polymorphism in Cu(ii)-polyoxometalate complexes: [Cu1.5(H2O)7.5PW12O40]·4.75H2O, cis- & trans-[Cu2(H2O)10SiW12O40]·6H2O","CrystEngComm","2016","18","28","5327","","10.1039/C5CE02088C","","x-ray","0.71073","MoKα","","0.036","0.0291","","","0.0635","0.0656","","","","","","1.167","","","","has coordinates,has disorder","185267","2020-10-21","18:00:00",""
"7225281","12.9789","0.0006","22.2778","0.001","15.469","0.0005","90","","94.527","0.004","90","","4458.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Cu2 H32 O56 Si W12 -","- Cu2 O56 Si W12 -","- Cu8 O224 Si4 W48 -","4","1","","Bajpe, Sneha R.; Henke, Sebastian; Lee, Jung-Hoon; Bristowe, Paul D.; Cheetham, Anthony K.","Disorder and polymorphism in Cu(ii)-polyoxometalate complexes: [Cu1.5(H2O)7.5PW12O40]·4.75H2O, cis- & trans-[Cu2(H2O)10SiW12O40]·6H2O","CrystEngComm","2016","18","28","5327","","10.1039/C5CE02088C","","x-ray","0.71073","MoKα","","0.0505","0.0373","","","0.0888","0.0969","","","","","","1.081","","","","has coordinates","185267","2020-10-21","18:00:00",""
"7225282","12.8897","0.0004","14.007","0.0005","15.3382","0.0004","63.169","0.003","71.079","0.003","63.827","0.003","2190.49","0.14","125","2","125","2","","","","","","","","5","P -1","-P 1","2","","","","- Cu2 H32 O56 Si W12 -","- Cu2 O56 Si W12 -","- Cu4 O112 Si2 W24 -","2","1","","Bajpe, Sneha R.; Henke, Sebastian; Lee, Jung-Hoon; Bristowe, Paul D.; Cheetham, Anthony K.","Disorder and polymorphism in Cu(ii)-polyoxometalate complexes: [Cu1.5(H2O)7.5PW12O40]·4.75H2O, cis- & trans-[Cu2(H2O)10SiW12O40]·6H2O","CrystEngComm","2016","18","28","5327","","10.1039/C5CE02088C","","x-ray","0.71073","MoKα","","0.031","0.0266","","","0.0576","0.059","","","","","","1.154","","","","has coordinates","185267","2020-10-21","18:00:00",""
"7225283","12.901","0.0003","22.1952","0.0004","15.3468","0.0003","90","","94.432","0.002","90","","4381.27","0.16","123.7","0.6","123.7","0.6","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Cu2 H32 O56 Si W12 -","- Cu2 O56 Si W12 -","- Cu8 O224 Si4 W48 -","4","1","","Bajpe, Sneha R.; Henke, Sebastian; Lee, Jung-Hoon; Bristowe, Paul D.; Cheetham, Anthony K.","Disorder and polymorphism in Cu(ii)-polyoxometalate complexes: [Cu1.5(H2O)7.5PW12O40]·4.75H2O, cis- & trans-[Cu2(H2O)10SiW12O40]·6H2O","CrystEngComm","2016","18","28","5327","","10.1039/C5CE02088C","","x-ray","0.71073","MoKα","","0.0353","0.0276","","","0.0553","0.0575","","","","","","1.106","","","","has coordinates","185267","2020-10-21","18:00:00",""
"7225284","12.795","0.003","17.242","0.004","16.094","0.004","90","","111.687","0.004","90","","3299.2","1.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H40 Cu2 Mo8 N16 O26 -","- C48 H40 Cu2 Mo8 N16 O26 -","- C96 H80 Cu4 Mo16 N32 O52 -","2","0.5","","Wu, Panfeng; Xue, Qi; Dong, Xinbo; Zhang, Yanjie; Liu, Bin; Hu, Huaiming; Xue, Ganglin","pH-Dependent assembly of three novel inorganic‒organic hybrids based on different isopolymolybdates and CuI/II(bbx)nunits","CrystEngComm","2016","18","28","5320","","10.1039/C6CE00776G","","","0.71073","MoKα","","0.0614","0.0385","","","0.0871","0.0973","","","","","","1.023","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7225285","16.2672","0.0018","12.932","0.0016","13.5101","0.0016","90","","107.112","0.002","90","","2716.3","0.6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Cu Mo N4 O4 -","- C12 H10 Cu Mo N4 O4 -","- C96 H80 Cu8 Mo8 N32 O32 -","8","1","","Wu, Panfeng; Xue, Qi; Dong, Xinbo; Zhang, Yanjie; Liu, Bin; Hu, Huaiming; Xue, Ganglin","pH-Dependent assembly of three novel inorganic‒organic hybrids based on different isopolymolybdates and CuI/II(bbx)nunits","CrystEngComm","2016","18","28","5320","","10.1039/C6CE00776G","","","0.71073","MoKα","","0.0666","0.0595","","","0.1596","0.1684","","","","","","1.035","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7225286","11.833","0.003","13.247","0.003","13.648","0.003","90","","103.555","0.003","90","","2079.8","0.8","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 Cu Mo4 N4 O14 -","- C12 H10 Cu Mo4 N4 O14 -","- C48 H40 Cu4 Mo16 N16 O56 -","4","1","","Wu, Panfeng; Xue, Qi; Dong, Xinbo; Zhang, Yanjie; Liu, Bin; Hu, Huaiming; Xue, Ganglin","pH-Dependent assembly of three novel inorganic‒organic hybrids based on different isopolymolybdates and CuI/II(bbx)nunits","CrystEngComm","2016","18","28","5320","","10.1039/C6CE00776G","","","0.71073","MoKα","","0.0603","0.0532","","","0.1484","0.1546","","","","","","0.996","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7225287","6.2723","0.0012","6.2723","0.0012","6.2723","0.0012","90","","90","","90","","246.76","0.08","293","2","293","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","CH3NH3PbI3","","- C H6 I3 N Pb -","- C I3 N Pb -","- C I3 N Pb -","1","0.0208333","","Luan, Mengyu; Song, Junling; Wei, Xiangfeng; Chen, Fang; Liu, Jiehua","Controllable growth of bulk cubic-phase CH3NH3PbI3single crystal with exciting room-temperature stability","CrystEngComm","2016","18","28","5257","","10.1039/C6CE00375C","","","0.71073","MoKα","","0.0433","0.0418","","","0.1016","0.1036","","","","","","1.2","","","","has coordinates","185272","2020-10-21","18:00:00",""
"7225302","14.7021","0.0011","7.1057","0.0008","9.676","0.0007","90","","90","","90","","1010.84","0.15","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.024","0.0189","","","0.0464","0.0475","","","","","","1.023","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225303","14.7044","0.0011","7.1209","0.0008","9.6716","0.0007","90","","90","","90","","1012.7","0.16","113","2","113","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0245","0.0198","","","0.0481","0.0491","","","","","","1.023","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225304","14.7115","0.0011","7.1415","0.0008","9.6639","0.0007","90","","90","","90","","1015.31","0.16","133","2","133","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0253","0.0203","","","0.0508","0.0519","","","","","","1.024","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225305","14.7211","0.0011","7.1625","0.0008","9.6562","0.0007","90","","90","","90","","1018.15","0.16","153","2","153","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0261","0.0209","","","0.051","0.0523","","","","","","1.034","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225306","14.7279","0.0011","7.1809","0.0008","9.6504","0.0007","90","","90","","90","","1020.62","0.16","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0263","0.0211","","","0.0519","0.053","","","","","","1.041","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225307","14.739","0.0011","7.2001","0.0008","9.6461","0.0007","90","","90","","90","","1023.67","0.16","193","2","193","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0273","0.0218","","","0.0522","0.0536","","","","","","1.065","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225308","14.736","0.002","7.222","0.0011","9.6239","0.0013","90","","90","","90","","1024.2","0.3","213","2","213","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0313","0.0262","","","0.0603","0.0625","","","","","","1.098","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225309","14.755","0.002","7.2394","0.0011","9.6181","0.0013","90","","90","","90","","1027.4","0.3","233","2","233","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0324","0.0268","","","0.0613","0.0638","","","","","","1.099","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225310","14.77","0.002","7.254","0.0011","9.6152","0.0013","90","","90","","90","","1030.2","0.3","253","2","253","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0329","0.0273","","","0.0632","0.0658","","","","","","1.076","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225311","14.787","0.002","7.2696","0.0011","9.6113","0.0013","90","","90","","90","","1033.2","0.3","273","2","273","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0339","0.0272","","","0.0638","0.0663","","","","","","1.081","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225312","14.804","0.002","7.2851","0.0011","9.6112","0.0014","90","","90","","90","","1036.6","0.3","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0342","0.0268","","","0.0619","0.0647","","","","","","1.084","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225313","14.815","0.002","7.2951","0.0011","9.6129","0.0013","90","","90","","90","","1038.9","0.3","303","2","303","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0326","0.0266","","","0.0608","0.0631","","","","","","1.123","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225314","14.825","0.002","7.3004","0.0011","9.6126","0.0014","90","","90","","90","","1040.4","0.3","313","2","313","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0334","0.0268","","","0.0624","0.0647","","","","","","1.125","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225315","14.832","0.002","7.3084","0.0011","9.6102","0.0014","90","","90","","90","","1041.7","0.3","323","2","323","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0345","0.0273","","","0.0635","0.0661","","","","","","1.106","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225316","14.841","0.002","7.3153","0.0011","9.61","0.0013","90","","90","","90","","1043.3","0.3","333","2","333","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0341","0.0282","","","0.0651","0.0673","","","","","","1.106","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225317","14.851","0.002","7.3236","0.0011","9.609","0.0013","90","","90","","90","","1045.1","0.3","343","2","343","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0355","0.0282","","","0.0643","0.0671","","","","","","1.098","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225318","14.86","0.002","7.3294","0.0011","9.6098","0.0014","90","","90","","90","","1046.7","0.3","353","2","353","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0359","0.029","","","0.0645","0.067","","","","","","1.094","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225319","14.872","0.002","7.3394","0.0011","9.6071","0.0014","90","","90","","90","","1048.6","0.3","363","2","363","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0356","0.028","","","0.0631","0.0663","","","","","","1.056","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225320","14.877","0.002","7.3463","0.0012","9.6072","0.0014","90","","90","","90","","1050","0.3","373","2","373","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0377","0.0288","","","0.0643","0.0679","","","","","","1.058","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225321","14.881","0.002","7.3506","0.0012","9.6096","0.0014","90","","90","","90","","1051.1","0.3","383","2","383","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.037","0.0288","","","0.0658","0.0689","","","","","","1.053","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225322","14.896","0.003","7.3587","0.0015","9.6062","0.0017","90","","90","","90","","1053","0.4","393","2","393","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","nitro-pentaammine-Co(III)-chloride-nitrate","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Sidelnikov, A. A.; Chizhik, S. A.; Zakharov, B. A.; Chupakhin, A. P.; Boldyreva, E. V.","The effect of thermal expansion on photoisomerisation in the crystals of [Co(NH3)5NO2]Cl(NO3): different strain origins ‒ different outcomes","CrystEngComm","2016","18","38","7276","","10.1039/C6CE00840B","","","0.71073","MoKα","","0.0375","0.0287","","","0.0637","0.067","","","","","","1.074","","","","has coordinates","187030","2020-10-21","18:00:00",""
"7225330","11.8182","0.0014","12.3712","0.0013","18.764","0.002","90","","90","","90","","2743.4","0.5","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H33 N7 O6 -","- C27 H33 N7 O6 -","- C108 H132 N28 O24 -","4","1","","Manna, Utsab; Nayak, Biswajit; Hoque, Md. Najbul; Das, Gopal","Influence of the cavity dimension on encapsulation of halides within the capsular assembly and side-cleft recognition of a sulfate‒water cluster assisted by polyammonium tripodal receptors","CrystEngComm","2016","18","26","5036","","10.1039/C6CE00220J","","","0.71073","MoKα","","0.2251","0.1122","","","0.2715","0.3493","","","","","","1.194","","","","has coordinates","185192","2020-10-21","18:00:00",""
"7225331","14.3519","0.0009","21.1721","0.0013","21.6903","0.0012","90","","90","","90","","6590.8","0.7","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H36 Cl3 N7 O6 -","- C27 H36 Cl3 N7 O6 -","- C216 H288 Cl24 N56 O48 -","8","2","","Manna, Utsab; Nayak, Biswajit; Hoque, Md. Najbul; Das, Gopal","Influence of the cavity dimension on encapsulation of halides within the capsular assembly and side-cleft recognition of a sulfate‒water cluster assisted by polyammonium tripodal receptors","CrystEngComm","2016","18","26","5036","","10.1039/C6CE00220J","","","0.71073","MoKα","","0.067","0.0505","","","0.1341","0.1481","","","","","","0.994","","","","has coordinates,has disorder","185192","2020-10-21","18:00:00",""
"7225332","15.3493","0.0011","15.4384","0.0013","21.013","0.0016","84.839","0.006","75.566","0.005","61.549","0.005","4237.4","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C63 H103 N17 O35 S3 -","- C60 H80 N16 O34 S3 -","- C120 H160 N32 O68 S6 -","2","1","","Manna, Utsab; Nayak, Biswajit; Hoque, Md. Najbul; Das, Gopal","Influence of the cavity dimension on encapsulation of halides within the capsular assembly and side-cleft recognition of a sulfate‒water cluster assisted by polyammonium tripodal receptors","CrystEngComm","2016","18","26","5036","","10.1039/C6CE00220J","","","0.71073","MoKα","","0.1012","0.0749","","","0.2137","0.2383","","","","","","0.895","","","","has coordinates,has disorder","185192","2020-10-21","18:00:00",""
"7225333","15.1064","0.0003","15.1064","0.0003","12.4344","0.0005","90","","90","","120","","2457.41","0.12","298","2","298","2","","","","","","","","5","R 3","R 3","146","","","","- C27 H36 Br3 F7 N4 -","- C27 H36 Br3 F7 N4 -","- C81 H108 Br9 F21 N12 -","3","","","Manna, Utsab; Nayak, Biswajit; Hoque, Md. Najbul; Das, Gopal","Influence of the cavity dimension on encapsulation of halides within the capsular assembly and side-cleft recognition of a sulfate‒water cluster assisted by polyammonium tripodal receptors","CrystEngComm","2016","18","26","5036","","10.1039/C6CE00220J","","","0.71073","MoKα","","0.0937","0.0514","","","0.1164","0.1319","","","","","","0.891","","","","has coordinates","185192","2020-10-21","18:00:00",""
"7225334","15.3545","0.0017","15.5993","0.0018","21.362","0.002","83.354","0.006","72.763","0.006","62.704","0.006","4341.4","0.9","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H116 Br6 N12 O24 S3 -","- C57 H79 Br6 N9 O21 S3 -","- C114 H158 Br12 N18 O42 S6 -","2","1","","Manna, Utsab; Nayak, Biswajit; Hoque, Md. Najbul; Das, Gopal","Influence of the cavity dimension on encapsulation of halides within the capsular assembly and side-cleft recognition of a sulfate‒water cluster assisted by polyammonium tripodal receptors","CrystEngComm","2016","18","26","5036","","10.1039/C6CE00220J","","","0.71073","MoKα","","0.2168","0.0843","","","0.2171","0.254","","","","","","0.837","","","","has coordinates,has disorder","185192","2020-10-21","18:00:00",""
"7225335","7.86","0.0006","11.1738","0.001","19.087","0.0017","77.214","0.006","85.475","0.005","75.105","0.006","1579.4","0.2","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C27 H36 Cl3 N7 O6 -","- C27 H36 Cl3 N7 O6 -","- C54 H72 Cl6 N14 O12 -","2","2","","Manna, Utsab; Nayak, Biswajit; Hoque, Md. Najbul; Das, Gopal","Influence of the cavity dimension on encapsulation of halides within the capsular assembly and side-cleft recognition of a sulfate‒water cluster assisted by polyammonium tripodal receptors","CrystEngComm","2016","18","26","5036","","10.1039/C6CE00220J","","","0.71073","MoKα","","0.1279","0.0825","","","0.1866","0.2112","","","","","","0.989","","","","has coordinates","185192","2020-10-21","18:00:00",""
"7225347","42.3668","0.0002","42.3668","0.0002","42.3668","0.0002","90","","90","","90","","76046.1","0.6","100","0.11","100","0.11","","","","","","","","6","I a -3 d","-I 4bd 2c 3","230","","","","- C46 H44 N4 Ni O8 S2 -","- C46 H44 N4 Ni O8 S2 -","- C2208 H2112 N192 Ni48 O384 S96 -","48","0.5","","Chen, Shufang; Hu, Jiyong; Zhao, Jin'an; Zhang, Jin; Yu, Huaibin; Zhi, Shuangcheng; Zhang, Junshuai; Gong, Zhanqiang","Two cyclohexane-type octadecanuclear metalla-macrocycle-based metal organic frameworks and adsorption properties","CrystEngComm","2016","18","28","5353","","10.1039/C6CE00494F","","","1.54184","CuKα","","0.1033","0.0869","","","0.2801","0.3084","","","","","","1.051","","","","has coordinates","185269","2020-10-21","18:00:00",""
"7225348","42.559","0.0002","42.559","0.0002","42.559","0.0002","90","","90","","90","","77085.8","0.6","100","0.1","100","0.1","","","","","","","","6","I a -3 d","-I 4bd 2c 3","230","","","","- C46 H44 N4 O9 S2 Zn -","- C46 H44 N4 O9 S2 Zn -","- C2208 H2112 N192 O432 S96 Zn48 -","48","0.5","","Chen, Shufang; Hu, Jiyong; Zhao, Jin'an; Zhang, Jin; Yu, Huaibin; Zhi, Shuangcheng; Zhang, Junshuai; Gong, Zhanqiang","Two cyclohexane-type octadecanuclear metalla-macrocycle-based metal organic frameworks and adsorption properties","CrystEngComm","2016","18","28","5353","","10.1039/C6CE00494F","","","1.5418","CuKα","","0.1027","0.0716","","","0.2056","0.2479","","","","","","1.039","","","","has coordinates,has disorder","185269","2020-10-21","18:00:00",""
"7225358","7.768","0.0016","9.1578","0.0018","10.466","0.002","90.77","0.03","98.75","0.03","95.52","0.03","732.2","0.3","120","0.2","120","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C13 H13 Cl2 Cu N3 O S -","- C13 H13 Cl2 Cu N3 O S -","- C26 H26 Cl4 Cu2 N6 O2 S2 -","2","1","","Qureshi, Naseem; Yufit, Dmitri S.; Steed, Kirsty M.; Howard, Judith A. K.; Steed, Jonathan W.","Anion hydrogen bonding from a ‘revealed’ urea ligand","CrystEngComm","2016","18","28","5333","","10.1039/C6CE01039C","","","0.71073","MoKα","","0.1007","0.0864","","","0.2365","0.2519","","","","","","1.036","","","","has coordinates","185268","2020-10-21","18:00:00",""
"7225359","12.6428","0.0003","9.0531","0.0002","15.2733","0.0004","90","","99.138","0.01","90","","1725.94","0.09","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 Cu F6 N6 O8 S4 -","- C28 H26 Cu F6 N6 O8 S4 -","- C56 H52 Cu2 F12 N12 O16 S8 -","2","0.5","","Qureshi, Naseem; Yufit, Dmitri S.; Steed, Kirsty M.; Howard, Judith A. K.; Steed, Jonathan W.","Anion hydrogen bonding from a ‘revealed’ urea ligand","CrystEngComm","2016","18","28","5333","","10.1039/C6CE01039C","","","0.71073","Mo-Kα","","0.0594","0.0391","","","0.0981","0.1084","","","","","","1.02","","","","has coordinates","185268","2020-10-21","18:00:00",""
"7225360","6.6282","0.0003","10.3741","0.0005","11.1178","0.0005","96.7","0.01","92.305","0.01","99.927","0.01","746.47","0.07","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C13 H14 B F4 N3 O S -","- C13 H14 B F4 N3 O S -","- C26 H28 B2 F8 N6 O2 S2 -","2","1","","Qureshi, Naseem; Yufit, Dmitri S.; Steed, Kirsty M.; Howard, Judith A. K.; Steed, Jonathan W.","Anion hydrogen bonding from a ‘revealed’ urea ligand","CrystEngComm","2016","18","28","5333","","10.1039/C6CE01039C","","","0.71073","MOKα","","0.0854","0.0479","","","0.1152","0.1324","","","","","","1.099","","","","has coordinates","185268","2020-10-21","18:00:00",""
"7225361","8.2365","0.0003","9.636","0.0003","11.5943","0.0004","110.59","0.02","97","0.02","103.85","0.02","814.6","0.19","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H26 Cu F6 N6 O8 S4 -","- C28 H26 Cu F6 N6 O8 S4 -","- C28 H26 Cu F6 N6 O8 S4 -","1","0.5","","Qureshi, Naseem; Yufit, Dmitri S.; Steed, Kirsty M.; Howard, Judith A. K.; Steed, Jonathan W.","Anion hydrogen bonding from a ‘revealed’ urea ligand","CrystEngComm","2016","18","28","5333","","10.1039/C6CE01039C","","","0.71073","Mo-Kα","","0.0804","0.0641","","","0.1579","0.1662","","","","","","0.874","","","","has coordinates","185268","2020-10-21","18:00:00",""
"7225362","8.9556","0.0003","21.6859","0.0009","7.1433","0.0004","90","","98.9","0.01","90","","1370.6","0.11","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 Cu N8 O8 S2 -","- C26 H26 Cu N8 O8 S2 -","- C52 H52 Cu2 N16 O16 S4 -","2","0.5","","Qureshi, Naseem; Yufit, Dmitri S.; Steed, Kirsty M.; Howard, Judith A. K.; Steed, Jonathan W.","Anion hydrogen bonding from a ‘revealed’ urea ligand","CrystEngComm","2016","18","28","5333","","10.1039/C6CE01039C","","","0.71073","MOKα","","0.0691","0.0405","","","0.0938","0.1069","","","","","","1.063","","","","has coordinates,has disorder","185268","2020-10-21","18:00:00",""
"7225363","7.8394","0.0016","8.192","0.0016","12.372","0.003","104.4","0.03","92.42","0.03","116.28","0.03","679.3","0.4","120","0.2","120","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H26 Br2 Cu N6 O2 S2 -","- C26 H26 Br2 Cu N6 O2 S2 -","- C26 H26 Br2 Cu N6 O2 S2 -","1","0.5","","Qureshi, Naseem; Yufit, Dmitri S.; Steed, Kirsty M.; Howard, Judith A. K.; Steed, Jonathan W.","Anion hydrogen bonding from a ‘revealed’ urea ligand","CrystEngComm","2016","18","28","5333","","10.1039/C6CE01039C","","","0.71073","MoKα","","0.0337","0.0268","","","0.0598","0.0627","","","","","","1.021","","","","has coordinates","185268","2020-10-21","18:00:00",""
"7225364","4.2277","0.0002","11.0881","0.0008","14.3608","0.0012","90","","95.224","0.005","90","","670.4","0.08","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H I S3 -","- C3 H I S3 -","- C12 H4 I4 S12 -","4","1","","Le Gal, Yann; Lorcy, Dominique; Jeannin, Olivier; Barrière, Frédéric; Dorcet, Vincent; Lieffrig, Julien; Fourmigué, Marc","CS⋯I halogen bonding interactions in crystalline iodinated dithiole-2-thiones and thiazole-2-thiones","CrystEngComm","2016","18","29","5474","","10.1039/C6CE00822D","","x-ray","0.71073","MoKα","","0.1504","0.0814","","","0.235","0.3345","","","","","","1.401","","","","has coordinates","185263","2020-10-21","18:00:00",""
"7225365","4.2308","0.0008","28.57","0.006","15.756","0.003","90","","95.7","0.03","90","","1895.1","0.7","293","2","293","2","","","","","","","synthesis as described","3","P 1 21/n 1","-P 2yn","14","","","","- C7 I4.67 S7 -","- C6.9999 I4.6667 S6.9999 -","- C27.9996 I18.6668 S27.9996 -","4","1","","Le Gal, Yann; Lorcy, Dominique; Jeannin, Olivier; Barrière, Frédéric; Dorcet, Vincent; Lieffrig, Julien; Fourmigué, Marc","CS⋯I halogen bonding interactions in crystalline iodinated dithiole-2-thiones and thiazole-2-thiones","CrystEngComm","2016","18","29","5474","","10.1039/C6CE00822D","","x-ray","0.71073","MoKα","","0.0629","0.0354","","","0.0687","0.079","","","","","","1.102","","","","has coordinates","185263","2020-10-21","18:00:00",""
"7225366","7.9979","0.0003","8.1038","0.0003","14.8354","0.0005","90","","96.761","0.001","90","","954.85","0.06","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","3-ethyl-4,5-diiodothiazole-2(3H)-thione","","- C5 H5 I2 N S2 -","- C5 H5 I2 N S2 -","- C20 H20 I8 N4 S8 -","4","1","","Le Gal, Yann; Lorcy, Dominique; Jeannin, Olivier; Barrière, Frédéric; Dorcet, Vincent; Lieffrig, Julien; Fourmigué, Marc","CS⋯I halogen bonding interactions in crystalline iodinated dithiole-2-thiones and thiazole-2-thiones","CrystEngComm","2016","18","29","5474","","10.1039/C6CE00822D","","x-ray","0.71073","MoKα","","0.0332","0.0309","","","0.0753","0.0767","","","","","","1.104","","","","has coordinates","185263","2020-10-21","18:00:00",""
"7225367","6.9028","0.0013","15.231","0.003","8.4906","0.0016","90","","108.101","0.006","90","","848.5","0.3","150","2","150","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","3-ethyl-5-iodothiazole-2-thione","","- C5 H6 I N S2 -","- C5 H6 I N S2 -","- C20 H24 I4 N4 S8 -","4","2","","Le Gal, Yann; Lorcy, Dominique; Jeannin, Olivier; Barrière, Frédéric; Dorcet, Vincent; Lieffrig, Julien; Fourmigué, Marc","CS⋯I halogen bonding interactions in crystalline iodinated dithiole-2-thiones and thiazole-2-thiones","CrystEngComm","2016","18","29","5474","","10.1039/C6CE00822D","","x-ray","0.71073","MoKα","","0.0316","0.0306","","","0.0715","0.072","","","","","","1.143","","","","has coordinates","185263","2020-10-21","18:00:00",""
"7225368","12.8328","0.0012","16.1439","0.0015","16.2738","0.0015","84.645","0.002","79.837","0.002","69.372","0.002","3104","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H62 N3 Ni3 O22.5 -","- C56 H34 Ni3 O22.5 -","- C112 H68 Ni6 O45 -","2","1","","Hu, Tuo-Ping; Xue, Zhi-Jia; Zheng, Bao-Hua; Wang, Xiao-Qing; Hao, Xue-Na; Song, You","Two novel nickel(ii) and cobalt(ii) metal‒organic frameworks based on a rigid aromatic multicarboxylate ligand: syntheses, structural characterization and magnetic properties","CrystEngComm","2016","18","28","5386","","10.1039/C6CE00674D","","","0.71073","MoKα","","0.0806","0.0519","","","0.1228","0.1347","","","","","","0.997","","","","has coordinates,has disorder","185271","2020-10-21","18:00:00",""
"7225369","13.8441","0.0006","17.6855","0.0007","21.1859","0.0008","90","","91.435","0.004","90","","5185.5","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C56 H46 Co3 O25 -","- C56 H42 Co3 O25 -","- C224 H168 Co12 O100 -","4","0.5","","Hu, Tuo-Ping; Xue, Zhi-Jia; Zheng, Bao-Hua; Wang, Xiao-Qing; Hao, Xue-Na; Song, You","Two novel nickel(ii) and cobalt(ii) metal‒organic frameworks based on a rigid aromatic multicarboxylate ligand: syntheses, structural characterization and magnetic properties","CrystEngComm","2016","18","28","5386","","10.1039/C6CE00674D","","","0.71","MoKα","","0.1039","0.0566","","","0.105","0.1245","","","","","","1.017","","","","has coordinates,has disorder","185271","2020-10-21","18:00:00",""
"7225370","19.0949","0.0019","9.2904","0.0009","17.9875","0.0019","90","","110.543","0.005","90","","2988.1","0.5","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-Phenyl-p-phenylenediamine+diglycolic acid","","- C16 H18 N2 O5 -","- C16 H18 N2 O5 -","- C128 H144 N16 O40 -","8","2","","Delori, Amit; Urquhart, Andrew J.; Oswald, Iain D. H.","Supramolecular hair dyes: a new application of cocrystallization","CrystEngComm","2016","18","28","5360","","10.1039/C6CE01001F","","","0.71073","MoKα","","0.0984","0.0629","","","0.176","0.2424","","","","","","1.632","","","","has coordinates","194155","2020-10-21","18:00:00",""
"7225371","17.9195","0.0015","9.1323","0.0008","18.7653","0.0015","90","","90","","90","","3070.9","0.4","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","N-Phenyl-p-phenylenediamine+diglycolic acid","","- C16 H18 N2 O5 -","- C16 H18 N2 O5 -","- C128 H144 N16 O40 -","8","2","","Delori, Amit; Urquhart, Andrew J.; Oswald, Iain D. H.","Supramolecular hair dyes: a new application of cocrystallization","CrystEngComm","2016","18","28","5360","","10.1039/C6CE01001F","","","0.71073","MoKα","","0.0297","0.027","","","0.0635","0.0651","","","","","","1.052","","","","has coordinates","194155","2020-10-21","18:00:00",""
"7225372","14.204","0.003","8.573","0.002","8.3934","0.0019","90","","91.851","0.013","90","","1021.5","0.4","123","2","123","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","1,4-Diaminobenzene+lawsone","","- C26 H20 N2 O6 -","- C26 H20 N2 O6 -","- C52 H40 N4 O12 -","2","0.25","","Delori, Amit; Urquhart, Andrew J.; Oswald, Iain D. H.","Supramolecular hair dyes: a new application of cocrystallization","CrystEngComm","2016","18","28","5360","","10.1039/C6CE01001F","","","0.71073","MoKα","","0.1261","0.0982","","","0.2413","0.2574","","","","","","1.134","","","","has coordinates,has disorder","185273","2020-10-21","18:00:00",""
"7225373","9.1366","0.0007","6.2639","0.0006","20.6631","0.0016","90","","94.489","0.005","90","","1178.94","0.17","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,4-Diaminobenzene+sebacic acid","","- C22 H34 N4 O4 -","- C22 H34 N4 O4 -","- C44 H68 N8 O8 -","2","0.5","","Delori, Amit; Urquhart, Andrew J.; Oswald, Iain D. H.","Supramolecular hair dyes: a new application of cocrystallization","CrystEngComm","2016","18","28","5360","","10.1039/C6CE01001F","","","0.71073","MoKα","","0.0796","0.0722","","","0.1854","0.1891","","","","","","1.213","","","","has coordinates","185273","2020-10-21","18:00:00",""
"7225374","3.9902","0.0002","17.052","0.0009","23.5518","0.0012","90","","90","","90","","1602.49","0.14","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,4-Diaminobenzene+trimesic acid+methanol","","- C16 H18 N2 O7 -","- C16 H18 N2 O7 -","- C64 H72 N8 O28 -","4","1","","Delori, Amit; Urquhart, Andrew J.; Oswald, Iain D. H.","Supramolecular hair dyes: a new application of cocrystallization","CrystEngComm","2016","18","28","5360","","10.1039/C6CE01001F","","","0.71073","MoKα","","0.0334","0.0298","","","0.0716","0.0742","","","","","","1.059","","","","has coordinates","185273","2020-10-21","18:00:00",""
"7225375","7.3698","0.0003","21.6379","0.0012","14.5584","0.0007","90","","102.509","0.004","90","","2266.47","0.19","295","2","295","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 Cl2 F3 N3 O3 Pt S -","- C22 H14 Cl2 F3 N3 O3 Pt S -","- C88 H56 Cl8 F12 N12 O12 Pt4 S4 -","4","1","","Maroń, A.; Szlapa, A.; Czerwińska, K.; Małecki, J. G.; Krompiec, S.; Machura, B.","Solid-state and solution photoluminescence of platinum(ii) complexes with 4′-substituted terpyridine ligands ‒ structural, spectroscopic and electrochemical studies","CrystEngComm","2016","18","29","5528","","10.1039/C6CE00890A","","x-ray","0.71073","MoKα","","0.0374","0.0272","","","0.0583","0.0614","","","","","","1.034","","","","has coordinates","185265","2020-10-21","18:00:00",""
"7225376","7.4264","0.0004","21.7744","0.0014","14.5258","0.0008","90","","102.97","0.005","90","","2289","0.2","295","2","295","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 Br Cl F3 N3 O3 Pt S -","- C22 H14 Br Cl F3 N3 O3 Pt S -","- C88 H56 Br4 Cl4 F12 N12 O12 Pt4 S4 -","4","1","","Maroń, A.; Szlapa, A.; Czerwińska, K.; Małecki, J. G.; Krompiec, S.; Machura, B.","Solid-state and solution photoluminescence of platinum(ii) complexes with 4′-substituted terpyridine ligands ‒ structural, spectroscopic and electrochemical studies","CrystEngComm","2016","18","29","5528","","10.1039/C6CE00890A","","x-ray","0.71073","MoKα","","0.0713","0.0545","","","0.1342","0.1448","","","","","","1.039","","","","has coordinates","185265","2020-10-21","18:00:00",""
"7225377","16.2788","0.0013","7.0245","0.0007","21.716","0.002","90","","98.966","0.007","90","","2452.9","0.4","295","2","295","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C24 H15 Cl F3 N3 O3 Pt S2 -","- C24 H15 Cl F3 N3 O3 Pt S2 -","- C96 H60 Cl4 F12 N12 O12 Pt4 S8 -","4","1","","Maroń, A.; Szlapa, A.; Czerwińska, K.; Małecki, J. G.; Krompiec, S.; Machura, B.","Solid-state and solution photoluminescence of platinum(ii) complexes with 4′-substituted terpyridine ligands ‒ structural, spectroscopic and electrochemical studies","CrystEngComm","2016","18","29","5528","","10.1039/C6CE00890A","","x-ray","0.71073","MoKα","","0.0403","0.0288","","","0.0631","0.0673","","","","","","1.041","","","","has coordinates","185265","2020-10-21","18:00:00",""
"7225378","10.325","0.008","11.063","0.003","6.087","0.001","90","","90","","90","","695.3","0.6","295","2","295","2","360000","","360000","","","","","3","P n m a","-P 2ac 2n","62","","pentachloroethane","","- C2 H Cl5 -","- C2 H Cl5 -","- C8 H4 Cl20 -","4","0.5","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Halogen and hydrogen bonds in compressed pentachloroethane","CrystEngComm","2016","18","28","5393","","10.1039/C6CE01025C","","","0.71073","MoKα","","0.126","0.1066","","","0.3214","0.3494","","","","","","1.175","","","","has coordinates","185274","2020-10-21","18:00:00",""
"7225379","10.21","0.007","11.039","0.003","6.0415","0.0009","90","","90","","90","","680.9","0.5","295","2","295","2","450000","","450000","","","","","3","P n m a","-P 2ac 2n","62","","pentachloroethane","","- C2 H Cl5 -","- C2 H Cl5 -","- C8 H4 Cl20 -","4","0.5","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Halogen and hydrogen bonds in compressed pentachloroethane","CrystEngComm","2016","18","28","5393","","10.1039/C6CE01025C","","","0.71073","MoKα","","0.1147","0.0997","","","0.3005","0.3193","","","","","","1.095","","","","has coordinates","185274","2020-10-21","18:00:00",""
"7225380","9.5458","0.0006","11.3671","0.0006","6.4745","0.0004","90","","111.126","0.007","90","","655.32","0.07","85","0.5","85","0.5","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","pentachloroethane","","- C2 H Cl5 -","- C2 H Cl5 -","- C8 H4 Cl20 -","4","1","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Halogen and hydrogen bonds in compressed pentachloroethane","CrystEngComm","2016","18","28","5393","","10.1039/C6CE01025C","","","0.71073","MoKα","","0.0295","0.0275","","","0.0729","0.0739","","","","","","1.032","","","","has coordinates","185274","2020-10-21","18:00:00",""
"7225381","9.742","0.0009","11.5821","0.0008","6.5192","0.0006","90","","111.347","0.01","90","","685.11","0.11","230","0.1","230","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","pentachloroethane","","- C2 H Cl5 -","- C2 H Cl5 -","- C8 H4 Cl20 -","4","1","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Halogen and hydrogen bonds in compressed pentachloroethane","CrystEngComm","2016","18","28","5393","","10.1039/C6CE01025C","","","0.71073","MoKα","","0.0441","0.0393","","","0.1079","0.1114","","","","","","1.076","","","","has coordinates","185274","2020-10-21","18:00:00",""
"7225382","9.519","0.0017","11.3199","0.0004","6.393","0.003","90","","111.78","0.03","90","","639.7","0.3","295","2","295","2","760000","","760000","","","","","3","P 1 21/n 1","-P 2yn","14","","pentachloroethane","","- C2 H Cl5 -","- C2 H Cl5 -","- C8 H4 Cl20 -","4","1","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Halogen and hydrogen bonds in compressed pentachloroethane","CrystEngComm","2016","18","28","5393","","10.1039/C6CE01025C","","","0.71073","MoKα","","0.0501","0.0409","","","0.1115","0.1152","","","","","","1.163","","","","has coordinates","185274","2020-10-21","18:00:00",""
"7225383","9.4194","0.0009","11.22","0.0003","6.379","0.004","90","","111.75","0.03","90","","626.2","0.4","295","2","295","2","1000000","","1000000","","","","","3","P 1 21/n 1","-P 2yn","14","","pentachloroethane","","- C2 H Cl5 -","- C2 H Cl5 -","- C8 H4 Cl20 -","4","1","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Halogen and hydrogen bonds in compressed pentachloroethane","CrystEngComm","2016","18","28","5393","","10.1039/C6CE01025C","","","0.71073","MoKα","","0.0305","0.0282","","","0.0732","0.0745","","","","","","1.097","","","","has coordinates","185274","2020-10-21","18:00:00",""
"7225384","4.7832","0.0005","12.0775","0.0004","16.3371","0.0005","90","","92.226","0.003","90","","943.07","0.11","290","","290","","","","","","","","synthesis","4","P 1 21/c 1","-P 2ybc","14","4-aminoquinaldine monohydrate","2-Methyl-4-quinolinamine","","- C10 H12 N2 O -","- C10 H12 N2 O -","- C40 H48 N8 O4 -","4","1","","Braun, Doris E.; Oberacher, Herbert; Arnhard, Kathrin; Orlova, Maria; Griesser, Ulrich J.","4-Aminoquinaldine monohydrate polymorphism: prediction and impurity aided discovery of a difficult to access stable form","CrystEngComm","2016","18","22","4053","","10.1039/C5CE01758K","powder diffraction","","1.54056","CuKα","","","","","","","","","7.0966","3.71","","","","","","","has coordinates","183192","2020-10-21","18:00:00",""
"7225385","10.2536","0.0002","19.8774","0.0004","14.8763","0.0007","90","","90","","90","","3032.01","0.17","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C30 H34 Cu N4 O8 -","- C30 H34 Cu N4 O8 -","- C120 H136 Cu4 N16 O32 -","4","0.5","","Linder-Patton, Oliver M.; Bloch, Witold M.; Coghlan, Campbell J.; Sumida, Kenji; Kitagawa, Susumu; Furukawa, Shuhei; Doonan, Christian J.; Sumby, Christopher J.","Particle size effects in the kinetic trapping of a structurally-locked form of a flexible MOF","CrystEngComm","2016","18","22","4172","","10.1039/C6CE00082G","","","0.7107","MoKα","","0.0643","0.0454","","","0.1215","0.132","","","","","","1.051","","","","has coordinates","183193","2020-10-21","18:00:00",""
"7225386","9.4","0.0002","19.5102","0.0003","14.7022","0.0002","90","","90","","90","","2696.32","0.08","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C21 H16 Cu N4 O12 -","- C21 H16 Cu N4 O12 -","- C84 H64 Cu4 N16 O48 -","4","0.5","","Linder-Patton, Oliver M.; Bloch, Witold M.; Coghlan, Campbell J.; Sumida, Kenji; Kitagawa, Susumu; Furukawa, Shuhei; Doonan, Christian J.; Sumby, Christopher J.","Particle size effects in the kinetic trapping of a structurally-locked form of a flexible MOF","CrystEngComm","2016","18","22","4172","","10.1039/C6CE00082G","","","0.7107","MoKα","","0.0427","0.0354","","","0.0954","0.0996","","","","","","1.11","","","","has coordinates","183193","2020-10-21","18:00:00",""
"7225387","14.6652","0.0004","8.6882","0.0003","26.0272","0.0008","90","","90","","90","","3316.23","0.18","293","","293","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H16 O -","- C24 H16 O -","- C192 H128 O8 -","8","1","","Koshima, Hideko; Uchimoto, Hidetaka; Taniguchi, Takuya; Nakamura, Jun; Asahi, Tsuyoshi; Asahi, Toru","Mechanical motion of molecular crystals induced by [4 + 4] photodimerisation","CrystEngComm","2016","18","38","7305","","10.1039/C6CE00848H","","","1.54187","CuKα","","0.1105","0.0723","","","0.1949","0.2471","","","","","","1.018","","","","has coordinates","187037","2020-10-21","18:00:00",""
"7225388","14.6606","0.0018","8.689","0.0012","25.95","0.004","90","","90","","90","","3305.7","0.8","293","","293","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H16 O -","- C24 H16 O -","- C192 H128 O8 -","8","1","","Koshima, Hideko; Uchimoto, Hidetaka; Taniguchi, Takuya; Nakamura, Jun; Asahi, Tsuyoshi; Asahi, Toru","Mechanical motion of molecular crystals induced by [4 + 4] photodimerisation","CrystEngComm","2016","18","38","7305","","10.1039/C6CE00848H","","","1.54187","CuKα","","0.1301","0.0648","","","0.1692","0.217","","","","","","0.912","","","","has coordinates","187037","2020-10-21","18:00:00",""
"7225397","10.2257","0.0002","12.3002","0.0002","19.2829","0.0003","77.153","0.001","77.761","0.001","72.052","0.001","2222.51","0.07","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H37 Ag3 Co N10 O11 -","- C42 H37 Ag3 Co N10 O11 -","- C84 H74 Ag6 Co2 N20 O22 -","2","1","","Teja Illa, Giri; Satha, Pardhasaradhi; Purohit, Chandra Shekhar","Consecutive introduction of Ag(i)to an anionic homoleptic Co(iii) complex: variable Ag(i) coordination mode","CrystEngComm","2016","18","29","5512","","10.1039/C6CE00276E","","","0.71073","MoKα","","0.0877","0.0557","","","0.1432","0.1662","","","","","","1.044","","","","has coordinates","185258","2020-10-21","18:00:00",""
"7225398","11.527","0.004","11.527","0.004","19.263","0.014","90","","90","","90","","2560","2","296","2","296","2","","","","","","","","5","I -4","I -4","82","","","","- C14 H17 Co0.25 N2.25 O -","- C14 H17 Co0.25 N2.25 O -","- C112 H136 Co2 N18 O8 -","8","1","","Teja Illa, Giri; Satha, Pardhasaradhi; Purohit, Chandra Shekhar","Consecutive introduction of Ag(i)to an anionic homoleptic Co(iii) complex: variable Ag(i) coordination mode","CrystEngComm","2016","18","29","5512","","10.1039/C6CE00276E","","","0.71073","MoKα","","0.0683","0.0524","","","0.1433","0.1604","","","","","","1.028","","","","has coordinates","185258","2020-10-21","18:00:00",""
"7225399","11.595","0.005","13.528","0.005","13.555","0.005","88.726","0.005","83.438","0.005","77.73","0.005","2064","1.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H45 Ag Co N9 O9 -","- C42 H45 Ag Co N9 O9 -","- C84 H90 Ag2 Co2 N18 O18 -","2","1","","Teja Illa, Giri; Satha, Pardhasaradhi; Purohit, Chandra Shekhar","Consecutive introduction of Ag(i)to an anionic homoleptic Co(iii) complex: variable Ag(i) coordination mode","CrystEngComm","2016","18","29","5512","","10.1039/C6CE00276E","","","0.71073","MoKα","","0.1047","0.0808","","","0.2241","0.244","","","","","","1.092","","","","has coordinates","185258","2020-10-21","18:00:00",""
"7225400","12.288","0.003","16.136","0.004","18.416","0.005","90","","98.103","0.01","90","","3615.1","1.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H34 Ag Co N8 O5 -","- C40 H34 Ag Co N8 O5 -","- C160 H136 Ag4 Co4 N32 O20 -","4","1","","Teja Illa, Giri; Satha, Pardhasaradhi; Purohit, Chandra Shekhar","Consecutive introduction of Ag(i)to an anionic homoleptic Co(iii) complex: variable Ag(i) coordination mode","CrystEngComm","2016","18","29","5512","","10.1039/C6CE00276E","","","0.71073","MoKα","","0.0616","0.0375","","","0.0874","0.1007","","","","","","1.03","","","","has coordinates","185258","2020-10-21","18:00:00",""
"7225405","13.2688","0.0018","17.186","0.002","14.3147","0.0019","90","","103.795","0.002","90","","3170.1","0.7","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H68 Ag4 B4 F16 O8 S4 -","- C54 H68 Ag4 B4 F16 O8 S4 -","- C108 H136 Ag8 B8 F32 O16 S8 -","2","0.5","","Park, In-Hyeok; Kim, Hyun Jee; Ju, Huiyeong; Lee, Eunji; Kim, Seulgi; Lee, Shim Sung","Macrocyclic isomer-dependent supramolecular silver(i) complexes via endo/exo-coordination modes: a tetranuclear bis(macrocycle) complex vs. a 2D coordination polymer","CrystEngComm","2016","18","28","5253","","10.1039/C6CE01003B","","","0.71073","MoKα","","0.0463","0.0371","","","0.0991","0.1055","","","","","","1.014","","","","has coordinates","185266","2020-10-21","18:00:00",""
"7225406","19.608","0.002","11.9909","0.0013","22.223","0.002","90","","90","","90","","5225","0.9","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C50 H52 Ag2 Cl2 O12 S4 -","- C50 H52 Ag2 Cl2 O12 S4 -","- C200 H208 Ag8 Cl8 O48 S16 -","4","1","","Park, In-Hyeok; Kim, Hyun Jee; Ju, Huiyeong; Lee, Eunji; Kim, Seulgi; Lee, Shim Sung","Macrocyclic isomer-dependent supramolecular silver(i) complexes via endo/exo-coordination modes: a tetranuclear bis(macrocycle) complex vs. a 2D coordination polymer","CrystEngComm","2016","18","28","5253","","10.1039/C6CE01003B","","","0.71073","MoKα","","0.0726","0.0517","","","0.123","0.136","","","","","","1.068","","","","has coordinates,has disorder","185266","2020-10-21","18:00:00",""
"7225407","15.4","0.002","17.15","0.003","35.343","0.006","90","","93.279","0.002","90","","9319","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C120 H126 La2 N76 O94 -","- C120 H126 La2 N76 O94 -","- C240 H252 La4 N152 O188 -","2","0.5","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.1514","0.0911","","","0.247","0.2966","","","","","","1.026","","","","has coordinates","185190","2020-10-21","18:00:00",""
"7225408","12.3756","0.0018","32.47","0.005","15.176","0.002","90","","92.089","0.005","90","","6094.2","1.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H44 La N27 O32.5 -","- C40 H44 La N27 O32.5 -","- C160 H176 La4 N108 O130 -","4","1","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.1034","0.0558","","","0.1325","0.1575","","","","","","1.029","","","","has coordinates","185190","2020-10-21","18:00:00",""
"7225409","22.4385","0.0018","12.4556","0.001","14.7421","0.0013","90","","114.782","0.002","90","","3740.8","0.5","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C40 H44 Cl3 Dy N24 O20 -","- C40 H44 Cl3 Dy N24 O20 -","- C80 H88 Cl6 Dy2 N48 O40 -","2","0.25","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.0426","0.0421","","","0.1233","0.1237","","","","","","1.141","","","","has coordinates","185190","2020-10-21","18:00:00",""
"7225410","22.434","0.005","12.421","0.003","14.859","0.003","90","","115.105","0.007","90","","3749.4","1.5","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C40 H44 Cl3 Ho N24 O22 -","- C40 H44 Cl3 Ho N24 O22 -","- C80 H88 Cl6 Ho2 N48 O44 -","2","0.25","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.0457","0.0455","","","0.1306","0.131","","","","","","1.125","","","","has coordinates,has disorder","185190","2020-10-21","18:00:00",""
"7225411","22.429","0.003","12.4151","0.0015","14.8727","0.0018","90","","115.035","0.004","90","","3752.3","0.8","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C40 H44 Cl3 Er N24 O26 -","- C40 H40 Cl3 Er N24 O26 -","- C80 H80 Cl6 Er2 N48 O52 -","2","0.25","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.0733","0.0729","","","0.219","0.2199","","","","","","1.228","","","","has coordinates,has disorder","185190","2020-10-21","18:00:00",""
"7225412","22.438","0.003","12.3991","0.0018","14.869","0.002","90","","115.027","0.002","90","","3748.3","0.9","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C40 H44 Cl3 N24 O20 Tm -","- C40 H48 Cl3 N24 O20 Tm -","- C80 H96 Cl6 N48 O40 Tm2 -","2","0.25","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.0737","0.0732","","","0.2265","0.2275","","","","","","1.23","","","","has coordinates,has disorder","185190","2020-10-21","18:00:00",""
"7225413","22.429","0.01","12.394","0.006","14.895","0.007","90","","115.018","0.004","90","","3752","3","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C40 H44 Cl3 N24 O20 Yb -","- C40 H48 Cl3 N24 O20 Yb -","- C80 H96 Cl6 N48 O40 Yb2 -","2","0.25","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.0729","0.0725","","","0.2252","0.2262","","","","","","1.248","","","","has coordinates,has disorder","185190","2020-10-21","18:00:00",""
"7225414","22.372","0.005","12.33","0.003","14.778","0.003","90","","114.881","0.007","90","","3698.1","1.4","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C40 H44 Cl3 Lu N24 O22 -","- C40 H48 Cl3 Lu N24 O22 -","- C80 H96 Cl6 Lu2 N48 O44 -","2","0.25","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.0762","0.0742","","","0.2233","0.2261","","","","","","1.194","","","","has coordinates,has disorder","185190","2020-10-21","18:00:00",""
"7225415","15.375","0.004","17.143","0.004","35.259","0.009","90","","93.376","0.003","90","","9277","4","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2'","","","- C120 H132 Ce2 N76 O64 -","- C120 H132 Ce2 N76 O64 -","- C240 H264 Ce4 N152 O128 -","2","0.5","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.0939","0.057","","","0.1329","0.1473","","","","","","0.929","","","","has coordinates","185190","2020-10-21","18:00:00",""
"7225416","12.322","0.002","32.346","0.006","15.145","0.003","90","","92.505","0.002","90","","6030.5","1.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H44 Ce N27 O33 -","- C40 H44 Ce N27 O33 -","- C160 H176 Ce4 N108 O132 -","4","1","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.0754","0.0489","","","0.1241","0.1398","","","","","","1.028","","","","has coordinates,has disorder","185190","2020-10-21","18:00:00",""
"7225417","25.508","0.017","10.756","0.007","14.224","0.009","90","","90","","90","","3903","4","293","2","293","2","","","","","","","","6","P m n a","-P 2ac 2","53","","","","- C40 H44 Cl3 N25 O21 Pr2 -","- C40 H44 Cl3 N25 O21 Pr2 -","- C80 H88 Cl6 N50 O42 Pr4 -","2","0.25","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.1043","0.0581","","","0.1643","0.2063","","","","","","0.949","","","","has coordinates","185190","2020-10-21","18:00:00",""
"7225418","15.507","0.008","17.145","0.009","35.161","0.019","90","","93.37","0.008","90","","9332","9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C120 H132 N76 O56 Pr2 -","- C120 H132 N76 O56 Pr2 -","- C240 H264 N152 O112 Pr4 -","2","0.5","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.0966","0.0505","","","0.1202","0.1394","","","","","","0.978","","","","has coordinates","185190","2020-10-21","18:00:00",""
"7225419","22.63","0.02","12.723","0.014","14.913","0.016","90","","116.085","0.01","90","","3856","7","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C40 H44 N24 O34 Pr -","- C40 H44 N24 O34 Pr -","- C80 H88 N48 O68 Pr2 -","2","0.25","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.0729","0.0707","","","0.2198","0.2239","","","","","","1.153","","","","has coordinates,has disorder","185190","2020-10-21","18:00:00",""
"7225420","25.819","0.015","10.779","0.006","14.304","0.008","90","","90","","90","","3981","4","293","2","293","2","","","","","","","","6","P m n a","-P 2ac 2","53","","","","- C40 H46 Cl2 N26 Nd2 O30 -","- C40 H46 Cl2 N26 Nd2 O30.008 -","- C80 H92 Cl4 N52 Nd4 O60.016 -","2","0.25","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.1303","0.0894","","","0.281","0.3194","","","","","","1.071","","","","has coordinates,has disorder","185190","2020-10-21","18:00:00",""
"7225421","15.408","0.0017","17.0805","0.0019","35.289","0.004","90","","92.852","0.001","90","","9275.7","1.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C120 H126 N78 Nd2 O94 -","- C120 H126 N78 Nd2 O94 -","- C240 H252 N156 Nd4 O188 -","2","0.5","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.093","0.0728","","","0.2276","0.2487","","","","","","1.047","","","","has coordinates","185190","2020-10-21","18:00:00",""
"7225422","22.295","0.013","12.542","0.007","14.812","0.008","90","","116.125","0.006","90","","3719","4","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C40 H44 Cl0 N24 Nd O22 -","- C40 H44 N24 Nd O22 -","- C80 H88 N48 Nd2 O44 -","2","0.25","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.0347","0.0335","","","0.0972","0.0982","","","","","","1.108","","","","has coordinates,has disorder","185190","2020-10-21","18:00:00",""
"7225423","25.712","0.009","10.726","0.004","14.392","0.005","90","","90","","90","","3969","2","293","2","293","2","","","","","","","","6","P m n a","-P 2ac 2","53","","","","- C40 H44 Cl2 N26 O29 Sm2 -","- C40 H44 Cl2 N26 O29 Sm2 -","- C80 H88 Cl4 N52 O58 Sm4 -","2","0.25","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.0841","0.0665","","","0.2009","0.2159","","","","","","1.056","","","","has coordinates,has disorder","185190","2020-10-21","18:00:00",""
"7225424","22.308","0.01","12.54","0.006","14.747","0.007","90","","115.685","0.004","90","","3718","3","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C40 H44 N24 O20 Sm -","- C40 H46 N24 O20 Sm -","- C80 H92 N48 O40 Sm2 -","2","0.25","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.0377","0.0354","","","0.0993","0.1017","","","","","","1.121","","","","has coordinates,has disorder","185190","2020-10-21","18:00:00",""
"7225425","22.329","0.01","12.544","0.006","14.897","0.007","90","","116.15","0.005","90","","3745","3","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C40 H44 Eu N24 O22 -","- C40 H44 Eu N24 O22 -","- C80 H88 Eu2 N48 O44 -","2","0.25","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.0641","0.0593","","","0.1666","0.1703","","","","","","1.088","","","","has coordinates,has disorder","185190","2020-10-21","18:00:00",""
"7225426","22.397","0.003","12.4587","0.0016","14.729","0.002","90","","115.102","0.004","90","","3721.8","0.9","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C40 H44 Cl3 Gd N24 O21 -","- C40 H48 Cl3 Gd N24 O21 -","- C80 H96 Cl6 Gd2 N48 O42 -","2","0.25","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.0766","0.0736","","","0.224","0.228","","","","","","1.117","","","","has coordinates,has disorder","185190","2020-10-21","18:00:00",""
"7225427","22.443","0.005","12.472","0.002","14.88","0.003","90","","115.094","0.007","90","","3771.9","1.3","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C40 H44 Cl3 N24 O20 Tb -","- C40 H48 Cl3.0002 N24 O20 Tb -","- C80 H96 Cl6.0004 N48 O40 Tb2 -","2","0.25","","Yang, Bo; Gao, Zhong-Zheng; Lu, Ji-Hong; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Xiao, Xin","Interaction of a symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril with Ln3+: potential applications for isolation of lanthanides","CrystEngComm","2016","18","26","5028","","10.1039/C6CE00134C","","","0.71073","MoKα","","0.0547","0.0541","","","0.1665","0.1671","","","","","","1.163","","","","has coordinates,has disorder","185190","2020-10-21","18:00:00",""
"7225442","6.104","0.0005","8.9243","0.0008","12.0304","0.0014","90","","99.516","0.008","90","","646.33","0.11","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","chlorpropamide","4-chloro-N-((propylaminocarbonyl)benzenesulfonamide","","- C10 H13 Cl N2 O3 S -","- C10 H13 Cl N2 O3 S -","- C20 H26 Cl2 N4 O6 S2 -","2","1","","Zakharov, B. A.; Goryainov, S. V.; Boldyreva, E. V.","Unusual seeding effect in the liquid-assisted high-pressure polymorphism of chlorpropamide","CrystEngComm","2016","18","29","5423","","10.1039/C6CE00711B","","","0.81984","x-rays","","0.1033","0.0665","","","0.1878","0.2044","","","","","","1.178","","","","has coordinates","185259","2020-10-21","18:00:00",""
"7225443","11.6939","0.0008","15.2594","0.0014","15.931","0.0013","90","","90","","90","","2842.8","0.4","120","2","120","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C20 H28 N4 Ni O4 P2 S5 -","- C20 H28 N4 Ni O4 P2 S5 -","- C80 H112 N16 Ni4 O16 P8 S20 -","4","0.5","","Aragoni, M. Carla; Arca, Massimiliano; Coles, Simon J.; Crespo Alonso, Miriam; Coles (née Huth), Susanne L.; Davies, Robert P.; Hursthouse, Michael B.; Isaia, Francesco; Lai, Romina; Lippolis, Vito","Coordination polymers and polygons using di-pyridyl-thiadiazole spacers and substituted phosphorodithioato NiIIcomplexes: potential and limitations for inorganic crystal engineering","CrystEngComm","2016","18","30","5620","","10.1039/C6CE00991C","","","0.71073","MoKα","","0.0438","0.0331","","","0.0817","0.0903","","","","","","0.86","","","","has coordinates","185178","2020-10-21","18:00:00",""
"7225444","11.728","0.002","14.435","0.003","18.657","0.004","104.4","0.03","103.02","0.03","101.92","0.03","2862.9","1.3","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","2007slh1465/ssg1554/208","","- C40 H56 N8 Ni2 O8 P4 S10 -","- C40 H56 N8 Ni2 O8 P4 S10 -","- C80 H112 N16 Ni4 O16 P8 S20 -","2","1","","Aragoni, M. Carla; Arca, Massimiliano; Coles, Simon J.; Crespo Alonso, Miriam; Coles (née Huth), Susanne L.; Davies, Robert P.; Hursthouse, Michael B.; Isaia, Francesco; Lai, Romina; Lippolis, Vito","Coordination polymers and polygons using di-pyridyl-thiadiazole spacers and substituted phosphorodithioato NiIIcomplexes: potential and limitations for inorganic crystal engineering","CrystEngComm","2016","18","30","5620","","10.1039/C6CE00991C","","","0.6893","synchrotron","","0.1277","0.0969","","","0.2445","0.2663","","","","","","1.137","","","","has coordinates","185178","2020-10-21","18:00:00",""
"7225445","6.8385","0.0002","12.0415","0.0003","22.6405","0.0004","101.922","0.002","97.35","0.002","93.086","0.002","1802.95","0.08","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H28 N4 Ni P2 S5 -","- C36 H28 N4 Ni P2 S5 -","- C72 H56 N8 Ni2 P4 S10 -","2","1","","Aragoni, M. Carla; Arca, Massimiliano; Coles, Simon J.; Crespo Alonso, Miriam; Coles (née Huth), Susanne L.; Davies, Robert P.; Hursthouse, Michael B.; Isaia, Francesco; Lai, Romina; Lippolis, Vito","Coordination polymers and polygons using di-pyridyl-thiadiazole spacers and substituted phosphorodithioato NiIIcomplexes: potential and limitations for inorganic crystal engineering","CrystEngComm","2016","18","30","5620","","10.1039/C6CE00991C","","","0.71073","MoKα","","0.0684","0.0407","","","0.1033","0.114","","","","","","0.964","","","","has coordinates","185178","2020-10-21","18:00:00",""
"7225446","12.8213","0.0003","7.2342","0.0002","19.1246","0.0003","90","","106.186","0.001","90","","1703.53","0.07","120","2","120","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","2007slh0908/189","","- C28 H28 N4 Ni O4 P2 S5 -","- C28 H28 N3.984 Ni O4 P2 S5.016 -","- C56 H56 N7.968 Ni2 O8 P4 S10.032 -","2","0.5","","Aragoni, M. Carla; Arca, Massimiliano; Coles, Simon J.; Crespo Alonso, Miriam; Coles (née Huth), Susanne L.; Davies, Robert P.; Hursthouse, Michael B.; Isaia, Francesco; Lai, Romina; Lippolis, Vito","Coordination polymers and polygons using di-pyridyl-thiadiazole spacers and substituted phosphorodithioato NiIIcomplexes: potential and limitations for inorganic crystal engineering","CrystEngComm","2016","18","30","5620","","10.1039/C6CE00991C","","","0.71073","MoKα","","0.0459","0.0372","","","0.0741","0.0778","","","","","","1.04","","","","has coordinates,has disorder","185178","2020-10-21","18:00:00",""
"7225447","16.542","0.003","7.489","0.002","20.642","0.006","90","","94.29","0.02","90","","2550","1.1","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 N4 Ni O4 P2 S5 -","- C16 H20 N4 Ni O4 P2 S5 -","- C64 H80 N16 Ni4 O16 P8 S20 -","4","1","","Aragoni, M. Carla; Arca, Massimiliano; Coles, Simon J.; Crespo Alonso, Miriam; Coles (née Huth), Susanne L.; Davies, Robert P.; Hursthouse, Michael B.; Isaia, Francesco; Lai, Romina; Lippolis, Vito","Coordination polymers and polygons using di-pyridyl-thiadiazole spacers and substituted phosphorodithioato NiIIcomplexes: potential and limitations for inorganic crystal engineering","CrystEngComm","2016","18","30","5620","","10.1039/C6CE00991C","","","0.71073","MoKα","","0.0868","0.0492","","","0.1031","0.1164","","","","","","1.051","","","","has coordinates,has disorder","185178","2020-10-21","18:00:00",""
"7225448","9.7075","0.0002","10.6736","0.0002","17.4582","0.0003","73.23","0.001","87.086","0.001","72.131","0.001","1647.02","0.06","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","2007slh0906/187","","- C28 H28 N4 Ni O4 P2 S5 -","- C28 H28 N4 Ni O4 P2 S5 -","- C56 H56 N8 Ni2 O8 P4 S10 -","2","1","","Aragoni, M. Carla; Arca, Massimiliano; Coles, Simon J.; Crespo Alonso, Miriam; Coles (née Huth), Susanne L.; Davies, Robert P.; Hursthouse, Michael B.; Isaia, Francesco; Lai, Romina; Lippolis, Vito","Coordination polymers and polygons using di-pyridyl-thiadiazole spacers and substituted phosphorodithioato NiIIcomplexes: potential and limitations for inorganic crystal engineering","CrystEngComm","2016","18","30","5620","","10.1039/C6CE00991C","","","0.71073","MoKα","","0.0474","0.0361","","","0.0798","0.085","","","","","","1.038","","","","has coordinates,has disorder","185178","2020-10-21","18:00:00",""
"7225449","26.52841","0.00017","25.85346","0.00016","7.00906","0.00005","90","","90","","90","","4807.17","0.05","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C50 H44 N4 Ni P2 S5 -","- C50.014 H44.016 N4 Ni P2 S5 -","- C200.056 H176.064 N16 Ni4 P8 S20 -","4","0.5","","Aragoni, M. Carla; Arca, Massimiliano; Coles, Simon J.; Crespo Alonso, Miriam; Coles (née Huth), Susanne L.; Davies, Robert P.; Hursthouse, Michael B.; Isaia, Francesco; Lai, Romina; Lippolis, Vito","Coordination polymers and polygons using di-pyridyl-thiadiazole spacers and substituted phosphorodithioato NiIIcomplexes: potential and limitations for inorganic crystal engineering","CrystEngComm","2016","18","30","5620","","10.1039/C6CE00991C","","","1.54184","CuKα","","0.0886","0.0861","","","0.2236","0.2246","","","","","","1.211","","","","has coordinates,has disorder","185178","2020-10-21","18:00:00",""
"7225450","14.0311","0.0013","14.9236","0.0013","12.846","0.0005","90","","113.786","0.005","90","","2461.4","0.3","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 N4 Ni O4 P2 S5 -","- C16 H20 N4 Ni O4 P2 S5 -","- C64 H80 N16 Ni4 O16 P8 S20 -","4","1","","Aragoni, M. Carla; Arca, Massimiliano; Coles, Simon J.; Crespo Alonso, Miriam; Coles (née Huth), Susanne L.; Davies, Robert P.; Hursthouse, Michael B.; Isaia, Francesco; Lai, Romina; Lippolis, Vito","Coordination polymers and polygons using di-pyridyl-thiadiazole spacers and substituted phosphorodithioato NiIIcomplexes: potential and limitations for inorganic crystal engineering","CrystEngComm","2016","18","30","5620","","10.1039/C6CE00991C","","","0.71073","MoKα","","0.0739","0.0641","","","0.1917","0.1964","","","","","","1.161","","","","has coordinates,has disorder","185178","2020-10-21","18:00:00",""
"7225451","8.3025","0.0003","13.6899","0.0006","15.9951","0.0007","90.908","0.003","99.985","0.003","104.369","0.003","1731.16","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H51 N5 O4 -","- C32 H51 N5 O4 -","- C64 H102 N10 O8 -","2","1","","Tarai, Arup; Baruah, Jubaraj B.","Anion assisted conformationally guided self-assemblies of multi-component cocrystals of dioxime","CrystEngComm","2016","18","29","5482","","10.1039/C6CE01157H","","","0.71073","MoKα","","0.1527","0.0839","","","0.1765","0.2225","","","","","","1.098","","","","has coordinates","185260","2020-10-21","18:00:00",""
"7225452","20.7631","0.0008","8.2356","0.0003","21.9337","0.0008","90","","107.378","0.002","90","","3579.4","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H52 F N5 O4 -","- C32 H52 F N5 O4 -","- C128 H208 F4 N20 O16 -","4","1","","Tarai, Arup; Baruah, Jubaraj B.","Anion assisted conformationally guided self-assemblies of multi-component cocrystals of dioxime","CrystEngComm","2016","18","29","5482","","10.1039/C6CE01157H","","","0.71073","MoKα","","0.1286","0.0707","","","0.1388","0.1613","","","","","","1.056","","","","has coordinates","185260","2020-10-21","18:00:00",""
"7225453","19.3315","0.0009","8.5518","0.0004","22.8978","0.001","90","","95.077","0.003","90","","3770.6","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H54 Cl N5 O5 -","- C32 H54 Cl N5 O5 -","- C128 H216 Cl4 N20 O20 -","4","1","","Tarai, Arup; Baruah, Jubaraj B.","Anion assisted conformationally guided self-assemblies of multi-component cocrystals of dioxime","CrystEngComm","2016","18","29","5482","","10.1039/C6CE01157H","","","0.71073","MoKα","","0.2428","0.0688","","","0.1234","0.1632","","","","","","1.076","","","","has coordinates","185260","2020-10-21","18:00:00",""
"7225454","9.7527","0.001","13.1156","0.0014","13.1419","0.0014","96.951","0.001","107.563","0.001","98.293","0.001","1561.6","0.3","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H24 Cl3 Cu3 Dy N3 O9 -","- C24 H24 Cl3 Cu3 Dy N3 O9 -","- C48 H48 Cl6 Cu6 Dy2 N6 O18 -","2","1","","Dong, Ruo-Ting; Chen, Xin-Li; Cui, Xiao; Chen, Su-Su; Shen, Mo-Yuan; Li, Chu-Wen; Li, Qian-Hong; Hu, Ming-Yuan; Huang, Lan-Fen; Deng, Hong","Copper(i)‒lanthanide(iii) heterometallic metal‒organic frameworks constructed from 3-(3-pyridyl)acrylic acid: syntheses, structures, and properties","CrystEngComm","2016","18","29","5547","","10.1039/C6CE00637J","","","0.71073","MoKα","","0.0387","0.0336","","","0.0804","0.0835","","","","","","1.047","","","","has coordinates,has disorder","185261","2020-10-21","18:00:00",""
"7225455","9.7558","0.0013","13.1043","0.0017","13.1554","0.0017","97.247","0.002","98.245","0.002","107.215","0.002","1564.4","0.4","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H24 Cl3 Cu3 Eu N3 O9 -","- C24 H22 Cl3 Cu3 Eu N3 O9 -","- C48 H44 Cl6 Cu6 Eu2 N6 O18 -","2","1","","Dong, Ruo-Ting; Chen, Xin-Li; Cui, Xiao; Chen, Su-Su; Shen, Mo-Yuan; Li, Chu-Wen; Li, Qian-Hong; Hu, Ming-Yuan; Huang, Lan-Fen; Deng, Hong","Copper(i)‒lanthanide(iii) heterometallic metal‒organic frameworks constructed from 3-(3-pyridyl)acrylic acid: syntheses, structures, and properties","CrystEngComm","2016","18","29","5547","","10.1039/C6CE00637J","","","0.71073","MoKα","","0.0617","0.049","","","0.1195","0.1285","","","","","","1.04","","","","has coordinates,has disorder","185261","2020-10-21","18:00:00",""
"7225456","9.75","0.002","13.103","0.003","13.133","0.003","97.405","0.003","98.215","0.003","107.29","0.003","1559.3","0.6","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H24 Cl3 Cu3 Gd N3 O9 -","- C24 H22 Cl3 Cu3 Gd N3 O9 -","- C48 H44 Cl6 Cu6 Gd2 N6 O18 -","2","1","","Dong, Ruo-Ting; Chen, Xin-Li; Cui, Xiao; Chen, Su-Su; Shen, Mo-Yuan; Li, Chu-Wen; Li, Qian-Hong; Hu, Ming-Yuan; Huang, Lan-Fen; Deng, Hong","Copper(i)‒lanthanide(iii) heterometallic metal‒organic frameworks constructed from 3-(3-pyridyl)acrylic acid: syntheses, structures, and properties","CrystEngComm","2016","18","29","5547","","10.1039/C6CE00637J","","","0.71073","MoKα","","0.0683","0.0561","","","0.1447","0.1547","","","","","","1.084","","","","has coordinates","185261","2020-10-21","18:00:00",""
"7225457","9.7468","0.0013","13.1256","0.0017","13.1381","0.0017","97.029","0.002","98.26","0.002","107.433","0.002","1562.4","0.4","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H24 Cl3 Cu3 N3 O9 Tb -","- C24 H22 Cl3 Cu3 N3 O9 Tb -","- C48 H44 Cl6 Cu6 N6 O18 Tb2 -","2","1","","Dong, Ruo-Ting; Chen, Xin-Li; Cui, Xiao; Chen, Su-Su; Shen, Mo-Yuan; Li, Chu-Wen; Li, Qian-Hong; Hu, Ming-Yuan; Huang, Lan-Fen; Deng, Hong","Copper(i)‒lanthanide(iii) heterometallic metal‒organic frameworks constructed from 3-(3-pyridyl)acrylic acid: syntheses, structures, and properties","CrystEngComm","2016","18","29","5547","","10.1039/C6CE00637J","","","0.71073","MoKα","","0.0512","0.0453","","","0.1154","0.12","","","","","","1.067","","","","has coordinates,has disorder","185261","2020-10-21","18:00:00",""
"7225458","22.007","0.003","9.3047","0.0012","29.38","0.005","90","","110.486","0.001","90","","5635.6","1.4","296","2","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H46 Cu2 Dy2 I2 N6 O17 -","- C48 H46 Cu2 Dy2 I2 N6 O17 -","- C192 H184 Cu8 Dy8 I8 N24 O68 -","4","0.5","","Dong, Ruo-Ting; Chen, Xin-Li; Cui, Xiao; Chen, Su-Su; Shen, Mo-Yuan; Li, Chu-Wen; Li, Qian-Hong; Hu, Ming-Yuan; Huang, Lan-Fen; Deng, Hong","Copper(i)‒lanthanide(iii) heterometallic metal‒organic frameworks constructed from 3-(3-pyridyl)acrylic acid: syntheses, structures, and properties","CrystEngComm","2016","18","29","5547","","10.1039/C6CE00637J","","","0.71073","MoKα","","0.041","0.0321","","","0.0792","0.0836","","","","","","1.036","","","","has coordinates,has disorder","185261","2020-10-21","18:00:00",""
"7225459","21.998","0.002","9.2967","0.0009","29.381","0.004","90","","110.425","0.001","90","","5630.9","1.1","296","2","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H46 Cu2 Gd2 I2 N6 O17 -","- C48 H44 Cu2 Gd2 I2 N6 O17 -","- C192 H176 Cu8 Gd8 I8 N24 O68 -","4","0.5","","Dong, Ruo-Ting; Chen, Xin-Li; Cui, Xiao; Chen, Su-Su; Shen, Mo-Yuan; Li, Chu-Wen; Li, Qian-Hong; Hu, Ming-Yuan; Huang, Lan-Fen; Deng, Hong","Copper(i)‒lanthanide(iii) heterometallic metal‒organic frameworks constructed from 3-(3-pyridyl)acrylic acid: syntheses, structures, and properties","CrystEngComm","2016","18","29","5547","","10.1039/C6CE00637J","","","0.71073","MoKα","","0.033","0.0273","","","0.0639","0.0669","","","","","","1.015","","","","has coordinates","185261","2020-10-21","18:00:00",""
"7225460","22.069","0.004","9.2855","0.0015","29.444","0.005","90","","110.419","0.002","90","","5654.6","1.7","296","2","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H46 Cu2 I2 N6 O17 Sm2 -","- C48 H46 Cu2 I2 N6 O17 Sm2 -","- C192 H184 Cu8 I8 N24 O68 Sm8 -","4","0.5","","Dong, Ruo-Ting; Chen, Xin-Li; Cui, Xiao; Chen, Su-Su; Shen, Mo-Yuan; Li, Chu-Wen; Li, Qian-Hong; Hu, Ming-Yuan; Huang, Lan-Fen; Deng, Hong","Copper(i)‒lanthanide(iii) heterometallic metal‒organic frameworks constructed from 3-(3-pyridyl)acrylic acid: syntheses, structures, and properties","CrystEngComm","2016","18","29","5547","","10.1039/C6CE00637J","","","0.71073","MoKα","","0.0462","0.0316","","","0.0591","0.0639","","","","","","1.026","","","","has coordinates,has disorder","185261","2020-10-21","18:00:00",""
"7225461","21.9956","0.0015","9.2876","0.0006","29.387","0.003","90","","110.514","0.001","90","","5622.7","0.8","296","2","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H46 Cu2 I2 N6 O17 Tb2 -","- C48 H46 Cu2 I2 N6 O17 Tb2 -","- C192 H184 Cu8 I8 N24 O68 Tb8 -","4","0.5","","Dong, Ruo-Ting; Chen, Xin-Li; Cui, Xiao; Chen, Su-Su; Shen, Mo-Yuan; Li, Chu-Wen; Li, Qian-Hong; Hu, Ming-Yuan; Huang, Lan-Fen; Deng, Hong","Copper(i)‒lanthanide(iii) heterometallic metal‒organic frameworks constructed from 3-(3-pyridyl)acrylic acid: syntheses, structures, and properties","CrystEngComm","2016","18","29","5547","","10.1039/C6CE00637J","","","0.71073","MoKα","","0.053","0.0331","","","0.0586","0.0653","","","","","","0.994","","","","has coordinates,has disorder","185261","2020-10-21","18:00:00",""
"7225462","22.078","0.002","9.3534","0.0009","28.855","0.004","90","","109.788","0.001","90","","5606.8","1.1","296","2","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 Br Cu Eu N3 O9 -","- C24 H22 Br Cu Eu N3 O9 -","- C192 H176 Br8 Cu8 Eu8 N24 O72 -","8","1","","Dong, Ruo-Ting; Chen, Xin-Li; Cui, Xiao; Chen, Su-Su; Shen, Mo-Yuan; Li, Chu-Wen; Li, Qian-Hong; Hu, Ming-Yuan; Huang, Lan-Fen; Deng, Hong","Copper(i)‒lanthanide(iii) heterometallic metal‒organic frameworks constructed from 3-(3-pyridyl)acrylic acid: syntheses, structures, and properties","CrystEngComm","2016","18","29","5547","","10.1039/C6CE00637J","","","0.71073","MoKα","","0.0756","0.0476","","","0.1004","0.1144","","","","","","1.032","","","","has coordinates,has disorder","185261","2020-10-21","18:00:00",""
"7225463","22.315","0.004","9.4268","0.0017","29.048","0.005","90","","110.025","0.002","90","","5741.1","1.8","296","2","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 Br Cu La N3 O9 -","- C24 H22 Br Cu La N3 O9 -","- C192 H176 Br8 Cu8 La8 N24 O72 -","8","1","","Dong, Ruo-Ting; Chen, Xin-Li; Cui, Xiao; Chen, Su-Su; Shen, Mo-Yuan; Li, Chu-Wen; Li, Qian-Hong; Hu, Ming-Yuan; Huang, Lan-Fen; Deng, Hong","Copper(i)‒lanthanide(iii) heterometallic metal‒organic frameworks constructed from 3-(3-pyridyl)acrylic acid: syntheses, structures, and properties","CrystEngComm","2016","18","29","5547","","10.1039/C6CE00637J","","","0.71073","MoKα","","0.0854","0.0483","","","0.0999","0.1165","","","","","","1.026","","","","has coordinates,has disorder","185261","2020-10-21","18:00:00",""
"7225464","22.175","0.004","9.3814","0.0017","28.994","0.005","90","","110.156","0.002","90","","5662.3","1.7","296","2","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H46 Br2 Cu2 N6 Nd2 O17 -","- C48 H44 Br2 Cu2 N6 Nd2 O17 -","- C192 H176 Br8 Cu8 N24 Nd8 O68 -","4","0.5","","Dong, Ruo-Ting; Chen, Xin-Li; Cui, Xiao; Chen, Su-Su; Shen, Mo-Yuan; Li, Chu-Wen; Li, Qian-Hong; Hu, Ming-Yuan; Huang, Lan-Fen; Deng, Hong","Copper(i)‒lanthanide(iii) heterometallic metal‒organic frameworks constructed from 3-(3-pyridyl)acrylic acid: syntheses, structures, and properties","CrystEngComm","2016","18","29","5547","","10.1039/C6CE00637J","","","0.71073","MoKα","","0.0618","0.0409","","","0.0929","0.1025","","","","","","1.028","","","","has coordinates","185261","2020-10-21","18:00:00",""
"7225465","22.121","0.003","9.3741","0.0009","28.944","0.003","90","","110.003","0.002","90","","5639.9","1.1","296","2","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H46 Br2 Cu2 N6 O17 Sm2 -","- C48 H44 Br2 Cu2 N6 O17 Sm2 -","- C192 H176 Br8 Cu8 N24 O68 Sm8 -","4","0.5","","Dong, Ruo-Ting; Chen, Xin-Li; Cui, Xiao; Chen, Su-Su; Shen, Mo-Yuan; Li, Chu-Wen; Li, Qian-Hong; Hu, Ming-Yuan; Huang, Lan-Fen; Deng, Hong","Copper(i)‒lanthanide(iii) heterometallic metal‒organic frameworks constructed from 3-(3-pyridyl)acrylic acid: syntheses, structures, and properties","CrystEngComm","2016","18","29","5547","","10.1039/C6CE00637J","","","0.71073","MoKα","","0.0421","0.0328","","","0.0748","0.0789","","","","","","1.033","","","","has coordinates","185261","2020-10-21","18:00:00",""
"7225466","8.1814","0.0011","8.2858","0.0011","18.974","0.003","86.452","0.003","84.078","0.002","79.676","0.002","1257.4","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H20 Cu2 Eu I2 N2 O10 -","- C17 H20 Cu2 Eu I2 N2 O10 -","- C34 H40 Cu4 Eu2 I4 N4 O20 -","2","1","","Dong, Ruo-Ting; Chen, Xin-Li; Cui, Xiao; Chen, Su-Su; Shen, Mo-Yuan; Li, Chu-Wen; Li, Qian-Hong; Hu, Ming-Yuan; Huang, Lan-Fen; Deng, Hong","Copper(i)‒lanthanide(iii) heterometallic metal‒organic frameworks constructed from 3-(3-pyridyl)acrylic acid: syntheses, structures, and properties","CrystEngComm","2016","18","29","5547","","10.1039/C6CE00637J","","","0.71073","MoKα","","0.0617","0.0451","","","0.1008","0.1207","","","","","","1.069","","","","has coordinates","185261","2020-10-21","18:00:00",""
"7225467","8.161","0.003","8.25","0.003","18.961","0.006","86.444","0.007","83.969","0.006","79.622","0.006","1247.6","0.8","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C17 H20 Cu2 Gd I2 N2 O10 -","- C17 H20 Cu2 Gd I2 N2 O10 -","- C34 H40 Cu4 Gd2 I4 N4 O20 -","2","1","","Dong, Ruo-Ting; Chen, Xin-Li; Cui, Xiao; Chen, Su-Su; Shen, Mo-Yuan; Li, Chu-Wen; Li, Qian-Hong; Hu, Ming-Yuan; Huang, Lan-Fen; Deng, Hong","Copper(i)‒lanthanide(iii) heterometallic metal‒organic frameworks constructed from 3-(3-pyridyl)acrylic acid: syntheses, structures, and properties","CrystEngComm","2016","18","29","5547","","10.1039/C6CE00637J","","","0.71073","MoKα","","0.0958","0.0661","","","0.1541","0.1739","","","","","","0.954","","","","has coordinates","185261","2020-10-21","18:00:00",""
"7225468","8.2377","0.0017","8.366","0.0017","18.956","0.004","86.42","0.004","84.477","0.004","79.549","0.003","1277.4","0.5","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C17 H20 Cu2 I2 N2 Nd O10 -","- C17 H20 Cu2 I2 N2 Nd O10 -","- C34 H40 Cu4 I4 N4 Nd2 O20 -","2","1","","Dong, Ruo-Ting; Chen, Xin-Li; Cui, Xiao; Chen, Su-Su; Shen, Mo-Yuan; Li, Chu-Wen; Li, Qian-Hong; Hu, Ming-Yuan; Huang, Lan-Fen; Deng, Hong","Copper(i)‒lanthanide(iii) heterometallic metal‒organic frameworks constructed from 3-(3-pyridyl)acrylic acid: syntheses, structures, and properties","CrystEngComm","2016","18","29","5547","","10.1039/C6CE00637J","","","0.71073","MoKα","","0.0847","0.0621","","","0.1353","0.1451","","","","","","0.914","","","","has coordinates","185261","2020-10-21","18:00:00",""
"7225469","7.439","0.0017","7.797","0.002","21.617","0.005","86.532","0.004","87.711","0.004","65.178","0.004","1135.8","0.5","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C17 H16 Br2 Cu2 Gd N2 O8 -","- C17 H16 Br2 Cu2 Gd N2 O8 -","- C34 H32 Br4 Cu4 Gd2 N4 O16 -","2","1","","Dong, Ruo-Ting; Chen, Xin-Li; Cui, Xiao; Chen, Su-Su; Shen, Mo-Yuan; Li, Chu-Wen; Li, Qian-Hong; Hu, Ming-Yuan; Huang, Lan-Fen; Deng, Hong","Copper(i)‒lanthanide(iii) heterometallic metal‒organic frameworks constructed from 3-(3-pyridyl)acrylic acid: syntheses, structures, and properties","CrystEngComm","2016","18","29","5547","","10.1039/C6CE00637J","","","0.71073","MoKα","","0.1085","0.0667","","","0.1423","0.1738","","","","","","1.003","","","","has coordinates,has disorder","185261","2020-10-21","18:00:00",""
"7225470","7.4069","0.0015","7.7788","0.0015","21.614","0.004","86.456","0.003","87.677","0.004","65.171","0.003","1127.9","0.4","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C17 H16 Br2 Cu2 N2 O8 Tb -","- C17 H14 Br2 Cu2 N2 O8 Tb -","- C34 H28 Br4 Cu4 N4 O16 Tb2 -","2","1","","Dong, Ruo-Ting; Chen, Xin-Li; Cui, Xiao; Chen, Su-Su; Shen, Mo-Yuan; Li, Chu-Wen; Li, Qian-Hong; Hu, Ming-Yuan; Huang, Lan-Fen; Deng, Hong","Copper(i)‒lanthanide(iii) heterometallic metal‒organic frameworks constructed from 3-(3-pyridyl)acrylic acid: syntheses, structures, and properties","CrystEngComm","2016","18","29","5547","","10.1039/C6CE00637J","","","0.71073","MoKα","","0.0939","0.0585","","","0.12","0.1387","","","","","","0.946","","","","has coordinates,has disorder","185261","2020-10-21","18:00:00",""
"7225471","12.9013","0.0006","7.3232","0.0003","15.7261","0.0007","90","","113.248","0.005","90","","1365.14","0.12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","5a","3-(4-phenyl-1H-1,2,3-triazol-1-yl)-2H-chromen-2-one","","- C17 H11 N3 O2 -","- C17 H11 N3 O2 -","- C68 H44 N12 O8 -","4","1","","de la Cerda-Pedro, J. E.; Arcos-Ramos, R.; Maldonado-Domínguez, M.; Rojas-Lima, S.; Romero-Ávila, M.; Carreón-Castro, M. P.; Santillan, R.; Farfán, N.; López-Ruiz, H.","Engineering organic semiconducting solids. Multicomponent access to crystalline 3-(4-aryl-1,2,3-triazolyl)coumarins","CrystEngComm","2016","18","29","5562","","10.1039/C6CE01041E","","","1.54184","CuKα","","0.054","0.0456","","","0.1215","0.131","","","","","","1.069","","","","has coordinates","185262","2020-10-21","18:00:00",""
"7225472","14.0621","0.0005","6.4884","0.0003","17.373","0.0007","90","","111.527","0.004","90","","1474.55","0.11","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","5b","6-methoxy-3-(4-phenyl-1H-1,2,3-triazol-1-yl)-2H-chromen-2-one","","- C18 H13 N3 O3 -","- C18 H13 N3 O3 -","- C72 H52 N12 O12 -","4","1","","de la Cerda-Pedro, J. E.; Arcos-Ramos, R.; Maldonado-Domínguez, M.; Rojas-Lima, S.; Romero-Ávila, M.; Carreón-Castro, M. P.; Santillan, R.; Farfán, N.; López-Ruiz, H.","Engineering organic semiconducting solids. Multicomponent access to crystalline 3-(4-aryl-1,2,3-triazolyl)coumarins","CrystEngComm","2016","18","29","5562","","10.1039/C6CE01041E","","","1.54184","CuKα","","0.0479","0.0382","","","0.0987","0.1076","","","","","","1.04","","","","has coordinates","185262","2020-10-21","18:00:00",""
"7225473","5.17677","0.00017","9.5698","0.0003","30.6216","0.0009","90","","92.127","0.003","90","","1515.97","0.08","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5c","7-methoxy-3-(4-phenyl-1,2,3-triazol-1-yl)-chromen-2-one","","- C18 H13 N3 O3 -","- C18 H13 N3 O3 -","- C72 H52 N12 O12 -","4","1","","de la Cerda-Pedro, J. E.; Arcos-Ramos, R.; Maldonado-Domínguez, M.; Rojas-Lima, S.; Romero-Ávila, M.; Carreón-Castro, M. P.; Santillan, R.; Farfán, N.; López-Ruiz, H.","Engineering organic semiconducting solids. Multicomponent access to crystalline 3-(4-aryl-1,2,3-triazolyl)coumarins","CrystEngComm","2016","18","29","5562","","10.1039/C6CE01041E","","","1.54184","CuKα","","0.0689","0.0456","","","0.1057","0.1224","","","","","","1.037","","","","has coordinates","185262","2020-10-21","18:00:00",""
"7225474","11.7803","0.0004","19.8443","0.0006","7.6437","0.0002","90","","98.403","0.003","90","","1767.7","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5f","7-(diethylamino)-3-(4-phenyl-1H-1,2,3-triazol-1-yl)-2H-chromen-2-one","","- C21 H20 N4 O2 -","- C21 H20 N4 O2 -","- C84 H80 N16 O8 -","4","1","","de la Cerda-Pedro, J. E.; Arcos-Ramos, R.; Maldonado-Domínguez, M.; Rojas-Lima, S.; Romero-Ávila, M.; Carreón-Castro, M. P.; Santillan, R.; Farfán, N.; López-Ruiz, H.","Engineering organic semiconducting solids. Multicomponent access to crystalline 3-(4-aryl-1,2,3-triazolyl)coumarins","CrystEngComm","2016","18","29","5562","","10.1039/C6CE01041E","","","1.54184","CuKα","","0.0612","0.0467","","","0.1259","0.141","","","","","","1.022","","","","has coordinates","185262","2020-10-21","18:00:00",""
"7225475","5.8032","0.0003","7.5652","0.0004","15.7517","0.0007","79.805","0.004","89.756","0.004","84.314","0.004","677.21","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","5h","3-(4-(4-fluorophenyl)-1H-1,2,3-triazol-1-yl)-2H-chromen-2-one","","- C17 H10 F N3 O2 -","- C17 H10 F N3 O2 -","- C34 H20 F2 N6 O4 -","2","1","","de la Cerda-Pedro, J. E.; Arcos-Ramos, R.; Maldonado-Domínguez, M.; Rojas-Lima, S.; Romero-Ávila, M.; Carreón-Castro, M. P.; Santillan, R.; Farfán, N.; López-Ruiz, H.","Engineering organic semiconducting solids. Multicomponent access to crystalline 3-(4-aryl-1,2,3-triazolyl)coumarins","CrystEngComm","2016","18","29","5562","","10.1039/C6CE01041E","","","1.54184","CuKα","","0.0591","0.0501","","","0.1349","0.1492","","","","","","1.047","","","","has coordinates","185262","2020-10-21","18:00:00",""
"7225476","5.8823","0.0004","7.5418","0.0004","18.0542","0.0008","78.784","0.004","83.537","0.004","83.826","0.005","777.63","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","5j","3-(4-(4-chlorophenyl)-1H-1,2,3-triazol-1-yl)-6-methoxy-2H-chromen-2-one","","- C18 H12 Cl N3 O3 -","- C18 H12 Cl N3 O3 -","- C36 H24 Cl2 N6 O6 -","2","1","","de la Cerda-Pedro, J. E.; Arcos-Ramos, R.; Maldonado-Domínguez, M.; Rojas-Lima, S.; Romero-Ávila, M.; Carreón-Castro, M. P.; Santillan, R.; Farfán, N.; López-Ruiz, H.","Engineering organic semiconducting solids. Multicomponent access to crystalline 3-(4-aryl-1,2,3-triazolyl)coumarins","CrystEngComm","2016","18","29","5562","","10.1039/C6CE01041E","","","1.54184","CuKα","","0.048","0.0401","","","0.1097","0.1187","","","","","","1.0481","","","","has coordinates","185262","2020-10-21","18:00:00",""
"7225477","7.2786","0.0003","5.9228","0.0003","36.7067","0.0016","90","","90.466","0.005","90","","1582.36","0.12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","5k","7-methoxy-3-(4-(4-methoxyphenyl)-1H-1,2,3-triazol-1-yl)-2H-chromen-2-one","","- C19 H15 N3 O4 -","- C19 H15 N3 O4 -","- C76 H60 N12 O16 -","4","1","","de la Cerda-Pedro, J. E.; Arcos-Ramos, R.; Maldonado-Domínguez, M.; Rojas-Lima, S.; Romero-Ávila, M.; Carreón-Castro, M. P.; Santillan, R.; Farfán, N.; López-Ruiz, H.","Engineering organic semiconducting solids. Multicomponent access to crystalline 3-(4-aryl-1,2,3-triazolyl)coumarins","CrystEngComm","2016","18","29","5562","","10.1039/C6CE01041E","","","1.54184","CuKα","","0.0566","0.0424","","","0.1079","0.1178","","","","","","1.057","","","","has coordinates","185262","2020-10-21","18:00:00",""
"7225478","7.3822","0.0002","7.6039","0.0003","23.245","0.0008","90","","90","","90","","1304.82","0.08","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","5l","3-(4-(pyridin-2-yl)-1H-1,2,3-triazol-1-yl)-2H-chromen-2-one","","- C16 H10 N4 O2 -","- C16 H10 N4 O2 -","- C64 H40 N16 O8 -","4","1","","de la Cerda-Pedro, J. E.; Arcos-Ramos, R.; Maldonado-Domínguez, M.; Rojas-Lima, S.; Romero-Ávila, M.; Carreón-Castro, M. P.; Santillan, R.; Farfán, N.; López-Ruiz, H.","Engineering organic semiconducting solids. Multicomponent access to crystalline 3-(4-aryl-1,2,3-triazolyl)coumarins","CrystEngComm","2016","18","29","5562","","10.1039/C6CE01041E","","","1.54184","CuKα","","0.0653","0.05","","","0.1256","0.1371","","","","","","1.079","","","","has coordinates","185262","2020-10-21","18:00:00",""
"7225479","33.02","0.05","13.317","0.019","14.22","0.02","90","","101.739","0.015","90","","6122","15","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H15 Eu O8 -","- C21 H15 Eu O8 -","- C168 H120 Eu8 O64 -","8","1","","Wang, Haijun; Cheng, Fujun; Zou, Changchang; Li, Qianqian; Hua, Yinying; Duan, Jingui; Jin, Wanqin","Design and synthesis of luminescent porous coordination polymers for chromaticity modulation, sensing of nitrobenzene and iodine encapsulation","CrystEngComm","2016","18","30","5639","","10.1039/C6CE00960C","","","0.71073","MoKα","","0.0886","0.0651","","","0.1721","0.1891","","","","","","1.019","","","","has coordinates","185183","2020-10-21","18:00:00",""
"7225480","33.13","0.02","13.572","0.008","14.049","0.009","90","","101.324","0.007","90","","6194","7","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H15 O8 Tb -","- C21 H15 O8 Tb -","- C168 H120 O64 Tb8 -","8","1","","Wang, Haijun; Cheng, Fujun; Zou, Changchang; Li, Qianqian; Hua, Yinying; Duan, Jingui; Jin, Wanqin","Design and synthesis of luminescent porous coordination polymers for chromaticity modulation, sensing of nitrobenzene and iodine encapsulation","CrystEngComm","2016","18","30","5639","","10.1039/C6CE00960C","","","0.71073","MoKα","","0.0496","0.0375","","","0.0807","0.0832","","","","","","1.035","","","","has coordinates","185183","2020-10-21","18:00:00",""
"7225481","33.69","0.03","12.97","0.011","14.771","0.012","90","","101.572","0.009","90","","6323","9","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H15 La O8 -","- C21 H15 La O8 -","- C168 H120 La8 O64 -","8","1","","Wang, Haijun; Cheng, Fujun; Zou, Changchang; Li, Qianqian; Hua, Yinying; Duan, Jingui; Jin, Wanqin","Design and synthesis of luminescent porous coordination polymers for chromaticity modulation, sensing of nitrobenzene and iodine encapsulation","CrystEngComm","2016","18","30","5639","","10.1039/C6CE00960C","","","0.71073","MoKα","","0.0543","0.0406","","","0.0918","0.096","","","","","","1.03","","","","has coordinates","185183","2020-10-21","18:00:00",""
"7225482","42.142","0.015","14.065","0.005","13.87","0.005","90","","101.996","0.005","90","","8042","5","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H19 Eu O8 -","- C27 H19 Eu O8 -","- C216 H152 Eu8 O64 -","8","1","","Wang, Haijun; Cheng, Fujun; Zou, Changchang; Li, Qianqian; Hua, Yinying; Duan, Jingui; Jin, Wanqin","Design and synthesis of luminescent porous coordination polymers for chromaticity modulation, sensing of nitrobenzene and iodine encapsulation","CrystEngComm","2016","18","30","5639","","10.1039/C6CE00960C","","","0.71073","MoKα","","0.1276","0.1014","","","0.2569","0.2824","","","","","","0.994","","","","has coordinates","185183","2020-10-21","18:00:00",""
"7225483","42.145","0.007","14.296","0.003","13.771","0.002","90","","101.683","0.002","90","","8125","2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H19 O8 Tb -","- C27 H19 O8 Tb -","- C216 H152 O64 Tb8 -","8","1","","Wang, Haijun; Cheng, Fujun; Zou, Changchang; Li, Qianqian; Hua, Yinying; Duan, Jingui; Jin, Wanqin","Design and synthesis of luminescent porous coordination polymers for chromaticity modulation, sensing of nitrobenzene and iodine encapsulation","CrystEngComm","2016","18","30","5639","","10.1039/C6CE00960C","","","0.71073","MoKα","","0.0633","0.0461","","","0.1238","0.1277","","","","","","1.035","","","","has coordinates","185183","2020-10-21","18:00:00",""
"7225484","13.9999","0.001","14.647","0.0011","42.04","0.003","90","","97.948","0.001","90","","8537.8","1.1","296","2","296","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C27 H19 La O8 -","- C27 H19 La O8 -","- C216 H152 La8 O64 -","8","1","","Wang, Haijun; Cheng, Fujun; Zou, Changchang; Li, Qianqian; Hua, Yinying; Duan, Jingui; Jin, Wanqin","Design and synthesis of luminescent porous coordination polymers for chromaticity modulation, sensing of nitrobenzene and iodine encapsulation","CrystEngComm","2016","18","30","5639","","10.1039/C6CE00960C","","","0.71073","MoKα","","0.0748","0.0521","","","0.1314","0.1363","","","","","","1.076","","","","has coordinates","185183","2020-10-21","18:00:00",""
"7225485","24.799","0.018","13.263","0.01","14.971","0.011","90","","96.635","0.008","90","","4891","6","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H11 La O8 -","- C15 H11 La O8 -","- C120 H88 La8 O64 -","8","1","","Wang, Haijun; Cheng, Fujun; Zou, Changchang; Li, Qianqian; Hua, Yinying; Duan, Jingui; Jin, Wanqin","Design and synthesis of luminescent porous coordination polymers for chromaticity modulation, sensing of nitrobenzene and iodine encapsulation","CrystEngComm","2016","18","30","5639","","10.1039/C6CE00960C","","","0.71073","MoKα","","0.057","0.0448","","","0.1228","0.1331","","","","","","1.132","","","","has coordinates","185183","2020-10-21","18:00:00",""
"7225486","29.012","0.001","7.058","0.002","32.683","0.001","90","","105.991","0.003","90","","6433.4","1.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C66 H90 N6 O18 -","- C66 H90 N6 O18 -","- C264 H360 N24 O72 -","4","1","","Brancatelli, Giovanna; Geremia, Silvano; Gaeta, Carmine; Della Sala, Paolo; Talotta, Carmen; De Rosa, Margherita; Neri, Placido","Solid-state assembly of a resorcin[6]arene in twin molecular capsules","CrystEngComm","2016","18","26","5045","","10.1039/C6CE00802J","","","0.7","","","0.0772","0.076","","","0.2002","0.2008","","","","","","1.191","","","","has coordinates","185203","2020-10-21","18:00:00",""
"7225487","11.91","0.01","14.88","0.01","16.83","0.01","70.96","0.02","87.15","0.01","71.42","0.02","2668","3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C57.5 H64 O15 -","- C57.5 H64 O15 -","- C115 H128 O30 -","2","1","","Brancatelli, Giovanna; Geremia, Silvano; Gaeta, Carmine; Della Sala, Paolo; Talotta, Carmen; De Rosa, Margherita; Neri, Placido","Solid-state assembly of a resorcin[6]arene in twin molecular capsules","CrystEngComm","2016","18","26","5045","","10.1039/C6CE00802J","","","0.7","","","0.1089","0.1056","","","0.268","0.2738","","","","","","1.096","","","","has coordinates,has disorder","185203","2020-10-21","18:00:00",""
"7225488","5.3288","0.0004","18.3034","0.0013","10.3561","0.0008","90","","94.819","0.007","90","","1006.51","0.13","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H7 N5 O3 -","- C9 H7 N5 O3 -","- C36 H28 N20 O12 -","4","1","","Safin, Damir A.; Robeyns, Koen; Garcia, Yann","1,2,4-Triazole-based molecular switches: crystal structures, Hirshfeld surface analysis and optical properties","CrystEngComm","2016","18","38","7284","","10.1039/C6CE00749J","","","0.71073","MoKα","","0.1234","0.0696","","","0.1405","0.167","","","","","","0.999","","","","has coordinates","187036","2020-10-21","18:00:00",""
"7225489","5.8474","0.0012","21.04","0.004","7.5567","0.0018","90","","107.25","0.02","90","","887.9","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H8 N4 O2 -","- C9 H8 N4 O2 -","- C36 H32 N16 O8 -","4","1","","Safin, Damir A.; Robeyns, Koen; Garcia, Yann","1,2,4-Triazole-based molecular switches: crystal structures, Hirshfeld surface analysis and optical properties","CrystEngComm","2016","18","38","7284","","10.1039/C6CE00749J","","","0.71073","MoKα","","0.1607","0.0848","","","0.1722","0.1998","","","","","","1.043","","","","has coordinates","187036","2020-10-21","18:00:00",""
"7225490","19.9241","0.0013","19.9241","0.0013","5.1153","0.0005","90","","90","","90","","2030.6","0.3","298","2","298","2","","","","","","","","4","P 42/n","-P 4bc","86","","","","- C10 H10 N4 O2 -","- C10 H10 N4 O2 -","- C80 H80 N32 O16 -","8","","","Safin, Damir A.; Robeyns, Koen; Garcia, Yann","1,2,4-Triazole-based molecular switches: crystal structures, Hirshfeld surface analysis and optical properties","CrystEngComm","2016","18","38","7284","","10.1039/C6CE00749J","","","0.71073","MoKα","","0.1008","0.0662","","","0.1117","0.1221","","","","","","1.115","","","","has coordinates","187036","2020-10-21","18:00:00",""
"7225491","3.7737","0.0014","14.259","0.005","8.993","0.003","90","","101.23","0.04","90","","474.6","0.3","150","2","150","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C9 H7 Cl N4 O -","- C9 H7 Cl N4 O -","- C18 H14 Cl2 N8 O2 -","2","1","","Safin, Damir A.; Robeyns, Koen; Garcia, Yann","1,2,4-Triazole-based molecular switches: crystal structures, Hirshfeld surface analysis and optical properties","CrystEngComm","2016","18","38","7284","","10.1039/C6CE00749J","","","0.71073","MoKα","","0.0831","0.0727","","","0.1938","0.2008","","","","","","1.144","","","","has coordinates","187036","2020-10-21","18:00:00",""
"7225492","13.4933","0.0016","10.4263","0.0013","7.2548","0.0013","90","","93.731","0.013","90","","1018.5","0.3","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H7 Br N4 O -","- C9 H7 Br N4 O -","- C36 H28 Br4 N16 O4 -","4","1","","Safin, Damir A.; Robeyns, Koen; Garcia, Yann","1,2,4-Triazole-based molecular switches: crystal structures, Hirshfeld surface analysis and optical properties","CrystEngComm","2016","18","38","7284","","10.1039/C6CE00749J","","","0.71073","MoKα","","0.0704","0.0561","","","0.1464","0.1573","","","","","","1.091","","","","has coordinates","187036","2020-10-21","18:00:00",""
"7225493","11.7895","0.0005","11.7895","0.0005","17.6053","0.0008","90","","90","","120","","2119.17","0.16","298","2","298","2","","","","","","","","4","P 31","P 31","144","","","","- C9 H8 N4 O2 -","- C9 H8 N4 O2 -","- C81 H72 N36 O18 -","9","3","","Safin, Damir A.; Robeyns, Koen; Garcia, Yann","1,2,4-Triazole-based molecular switches: crystal structures, Hirshfeld surface analysis and optical properties","CrystEngComm","2016","18","38","7284","","10.1039/C6CE00749J","","","0.71073","MoKα","","0.0669","0.0455","","","0.101","0.1121","","","","","","1.005","","","","has coordinates","187036","2020-10-21","18:00:00",""
"7225494","8.7625","0.0006","5.8854","0.0004","11.0081","0.0012","90","","91.833","0.007","90","","567.41","0.08","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H10 N4 O -","- C13 H10 N4 O -","- C26 H20 N8 O2 -","2","1","","Safin, Damir A.; Robeyns, Koen; Garcia, Yann","1,2,4-Triazole-based molecular switches: crystal structures, Hirshfeld surface analysis and optical properties","CrystEngComm","2016","18","38","7284","","10.1039/C6CE00749J","","","0.71073","MoKα","","0.0618","0.052","","","0.1436","0.1587","","","","","","1.082","","","","has coordinates","187036","2020-10-21","18:00:00",""
"7225535","20.75","0.0015","7.916","0.0007","9.058","0.0005","90","","90","","90","","1487.84","0.19","330","1","330","2","","","","","","","Sigma","5","P n a 21","P 2c -2n","33","Tolbutamide form I^H^","N-(Butylcarbamoyl)-4-methylbenzenesulfonamide","","- C12 H18 N2 O3 S -","- C12 H18 N2 O3 S -","- C48 H72 N8 O12 S4 -","4","1","","Drebushchak, T. N.; Drebushchak, V. A.; Pankrushina, N. A.; Boldyreva, E. V.","Single-crystal to single-crystal conformational polymorphic transformation in tolbutamide at 313 K. Relation to other polymorphic transformations in tolbutamide and chlorpropamide","CrystEngComm","2016","18","30","5736","","10.1039/C6CE00764C","","x-ray","0.71073","MoKα","","0.1044","0.0572","","","0.1439","0.1855","","","","","","1.05","","","","has coordinates,has disorder","185176","2020-10-21","18:00:00",""
"7225536","20.2133","0.0006","7.8233","0.0002","9.0717","0.0002","90","","90","","90","","1434.55","0.06","295","2","295","2","","","","","","","","5","P n a 21","P 2c -2n","33","Tolbutamide form I^L^","N-(Butylcarbamoyl)-4-methylbenzenesulfonamide","","- C12 H18 N2 O3 S -","- C12 H18 N2 O3 S -","- C48 H72 N8 O12 S4 -","4","1","","Drebushchak, T. N.; Drebushchak, V. A.; Pankrushina, N. A.; Boldyreva, E. V.","Single-crystal to single-crystal conformational polymorphic transformation in tolbutamide at 313 K. Relation to other polymorphic transformations in tolbutamide and chlorpropamide","CrystEngComm","2016","18","30","5736","","10.1039/C6CE00764C","","x-ray","0.71073","MoKα","","0.0424","0.0399","","","0.113","0.1148","","","","","","1.042","","","","has coordinates","185176","2020-10-21","18:00:00",""
"7225537","19.7525","0.0003","7.7998","0.0001","9.0583","0.0001","90","","90","","90","","1395.57","0.03","200","2","200","2","","","","","","","","5","P n a 21","P 2c -2n","33","Tolbutamide form I^L^","N-(Butylcarbamoyl)-4-methylbenzenesulfonamide","","- C12 H18 N2 O3 S -","- C12 H18 N2 O3 S -","- C48 H72 N8 O12 S4 -","4","1","","Drebushchak, T. N.; Drebushchak, V. A.; Pankrushina, N. A.; Boldyreva, E. V.","Single-crystal to single-crystal conformational polymorphic transformation in tolbutamide at 313 K. Relation to other polymorphic transformations in tolbutamide and chlorpropamide","CrystEngComm","2016","18","30","5736","","10.1039/C6CE00764C","","x-ray","0.71073","MoKα","","0.0277","0.0266","","","0.0714","0.0717","","","","","","1.097","","","","has coordinates","185176","2020-10-21","18:00:00",""
"7225538","19.4331","0.0003","7.801","0.0001","9.0277","0.0001","90","","90","","90","","1368.58","0.03","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","Tolbutamide form I^L^","N-(Butylcarbamoyl)-4-methylbenzenesulfonamide","","- C12 H18 N2 O3 S -","- C12 H18 N2 O3 S -","- C48 H72 N8 O12 S4 -","4","1","","Drebushchak, T. N.; Drebushchak, V. A.; Pankrushina, N. A.; Boldyreva, E. V.","Single-crystal to single-crystal conformational polymorphic transformation in tolbutamide at 313 K. Relation to other polymorphic transformations in tolbutamide and chlorpropamide","CrystEngComm","2016","18","30","5736","","10.1039/C6CE00764C","","x-ray","0.71073","MoKα","","0.0306","0.0277","","","0.0715","0.0724","","","","","","1.021","","","","has coordinates","185176","2020-10-21","18:00:00",""
"7225539","9.0256","0.0002","17.1443","0.0005","17.7904","0.0005","90","","94.268","0.003","90","","2745.21","0.13","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","Tolbutamide form II","N-(Butylcarbamoyl)-4-methylbenzenesulfonamide","","- C12 H18 N2 O3 S -","- C12 H18 N2 O3 S -","- C96 H144 N16 O24 S8 -","8","4","","Drebushchak, T. N.; Drebushchak, V. A.; Pankrushina, N. A.; Boldyreva, E. V.","Single-crystal to single-crystal conformational polymorphic transformation in tolbutamide at 313 K. Relation to other polymorphic transformations in tolbutamide and chlorpropamide","CrystEngComm","2016","18","30","5736","","10.1039/C6CE00764C","","x-ray","0.71073","MoKα","","0.0948","0.0632","","","0.0984","0.1086","","","","","","1.036","","","","has coordinates","185176","2020-10-21","18:00:00",""
"7225540","8.7461","0.0007","10.5696","0.0008","11.8018","0.0009","95.426","0.003","105.576","0.003","95.516","0.003","1037.78","0.14","296","2","296","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 Cd2 N16 O18 -","- C32 H28 Cd2 N16 O18 -","- C32 H28 Cd2 N16 O18 -","1","0.5","","Banik, Rupak; Roy, Subhadip; Kirillov, Alexander M.; Bauza, Antonio; Frontera, Antonio; Rodríguez-Diéguez, Antonio; Salas, Juan M.; Maniukiewicz, Waldemar; Das, Saroj Kr.; Das, Subrata","Two mixed-ligand cadmium(ii) compounds bearing 5-nitrosopyrimidine and N-donor aromatic blocks: self-assembly generation, structural and topological features, DFT studies, and Hirshfeld surface analysis","CrystEngComm","2016","18","30","5647","","10.1039/C6CE00989A","","","0.71073","MoKα","","0.0285","0.0271","","","0.0782","0.0793","","","","","","1.114","","","","has coordinates,has disorder","185177","2020-10-21","18:00:00",""
"7225541","10.529","0.0004","11.3431","0.0004","18.5469","0.0008","90","","101.742","0.002","90","","2168.73","0.15","296","2","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 Cd N8 O8 -","- C17 H18 Cd N8 O8 -","- C68 H72 Cd4 N32 O32 -","4","1","","Banik, Rupak; Roy, Subhadip; Kirillov, Alexander M.; Bauza, Antonio; Frontera, Antonio; Rodríguez-Diéguez, Antonio; Salas, Juan M.; Maniukiewicz, Waldemar; Das, Saroj Kr.; Das, Subrata","Two mixed-ligand cadmium(ii) compounds bearing 5-nitrosopyrimidine and N-donor aromatic blocks: self-assembly generation, structural and topological features, DFT studies, and Hirshfeld surface analysis","CrystEngComm","2016","18","30","5647","","10.1039/C6CE00989A","","","0.71073","MoKα","","0.0409","0.0336","","","0.0755","0.0788","","","","","","1.068","","","","has coordinates","185177","2020-10-21","18:00:00",""
"7225542","9.216","0.0003","26.743","0.001","13.932","0.0005","90","","96.91","0.001","90","","3408.8","0.2","173","2","173","2","","","101.3","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H48 Co N7 O6 -","- C32 H48 Co N7 O6 -","- C128 H192 Co4 N28 O24 -","4","1","","Sekine, Akiko; Ina, Sayaka; Johmoto, Kohei; Uekusa, Hidehiro","Control of the photochromic behavior of cobaloxime complexes with salicylidene-3-aminopyridine and 2-cyanoethyl groups by dual photoisomerization","CrystEngComm","2016","18","38","7330","","10.1039/C6CE01005A","","x-ray","0.71073","MoKα","","0.1208","0.0854","","","0.1948","0.2107","","","","","","1.069","","","","has coordinates,has disorder","187033","2020-10-21","18:00:00",""
"7225543","9.168","0.0006","26.964","0.002","14.024","0.0011","90","","97.328","0.002","90","","3438.5","0.4","173","2","173","2","","","101.3","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H48 Co N7 O6 -","- C31.3 H44 Co N7 O5.3 -","- C125.2 H176 Co4 N28 O21.2 -","4","1","","Sekine, Akiko; Ina, Sayaka; Johmoto, Kohei; Uekusa, Hidehiro","Control of the photochromic behavior of cobaloxime complexes with salicylidene-3-aminopyridine and 2-cyanoethyl groups by dual photoisomerization","CrystEngComm","2016","18","38","7330","","10.1039/C6CE01005A","","x-ray","0.71073","MoKα","","0.153","0.0839","","","0.16","0.1922","","","","","","1.062","","","","has coordinates,has disorder","187033","2020-10-21","18:00:00",""
"7225544","8.88","0.0005","12.2","0.0008","16.687","0.0011","109.096","0.002","95.643","0.002","103.792","0.002","1628.16","0.18","173","2","173","2","","","101.3","","","","","5","P -1","-P 1","2","","","","- C31 H44 Co N7 O5 -","- C31 H44 Co N7 O5 -","- C62 H88 Co2 N14 O10 -","2","1","","Sekine, Akiko; Ina, Sayaka; Johmoto, Kohei; Uekusa, Hidehiro","Control of the photochromic behavior of cobaloxime complexes with salicylidene-3-aminopyridine and 2-cyanoethyl groups by dual photoisomerization","CrystEngComm","2016","18","38","7330","","10.1039/C6CE01005A","","x-ray","0.71073","MoKα","","0.1029","0.0569","","","0.1153","0.1328","","","","","","1.023","","","","has coordinates,has disorder","187033","2020-10-21","18:00:00",""
"7225545","8.9","0.0008","12.216","0.0012","16.818","0.0015","109.239","0.003","94.666","0.003","104.585","0.003","1643.5","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H44 Co N7 O5 -","- C31 H44 Co N7 O5 -","- C62 H88 Co2 N14 O10 -","2","1","","Sekine, Akiko; Ina, Sayaka; Johmoto, Kohei; Uekusa, Hidehiro","Control of the photochromic behavior of cobaloxime complexes with salicylidene-3-aminopyridine and 2-cyanoethyl groups by dual photoisomerization","CrystEngComm","2016","18","38","7330","","10.1039/C6CE01005A","","x-ray","0.71073","MoKα","","0.1865","0.0773","","","0.1688","0.2183","","","","","","1.055","","","","has coordinates,has disorder","187033","2020-10-21","18:00:00",""
"7225546","17.211","0.0005","7.562","0.0002","21.477","0.0005","90","","107.555","0.001","90","","2665.04","0.12","173","2","173","2","","","101.3","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 Co N7 O6 -","- C24 H30 Co N7 O6 -","- C96 H120 Co4 N28 O24 -","4","1","","Sekine, Akiko; Ina, Sayaka; Johmoto, Kohei; Uekusa, Hidehiro","Control of the photochromic behavior of cobaloxime complexes with salicylidene-3-aminopyridine and 2-cyanoethyl groups by dual photoisomerization","CrystEngComm","2016","18","38","7330","","10.1039/C6CE01005A","","x-ray","0.71073","MoKα","","0.045","0.0376","","","0.0987","0.1017","","","","","","1.086","","","","has coordinates","187033","2020-10-21","18:00:00",""
"7225547","17.083","0.0006","7.633","0.0003","21.527","0.0008","90","","108.711","0.001","90","","2658.65","0.17","173","2","173","2","","","101.3","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 Co N7 O6 -","- C24.093 H30.124 Co N7.031 O6 -","- C96.372 H120.496 Co4 N28.124 O24 -","4","1","","Sekine, Akiko; Ina, Sayaka; Johmoto, Kohei; Uekusa, Hidehiro","Control of the photochromic behavior of cobaloxime complexes with salicylidene-3-aminopyridine and 2-cyanoethyl groups by dual photoisomerization","CrystEngComm","2016","18","38","7330","","10.1039/C6CE01005A","","x-ray","0.71073","MoKα","","0.059","0.0491","","","0.1228","0.1288","","","","","","1.099","","","","has coordinates,has disorder","187033","2020-10-21","18:00:00",""
"7225548","7.962","0.0007","8.407","0.0006","18.899","0.0014","90","","94.566","0.002","90","","1261.02","0.17","173","2","173","2","","","101.3","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H27 Cl Co N7 O5 -","- C23 H27 Cl Co N7 O5 -","- C46 H54 Cl2 Co2 N14 O10 -","2","1","","Sekine, Akiko; Ina, Sayaka; Johmoto, Kohei; Uekusa, Hidehiro","Control of the photochromic behavior of cobaloxime complexes with salicylidene-3-aminopyridine and 2-cyanoethyl groups by dual photoisomerization","CrystEngComm","2016","18","38","7330","","10.1039/C6CE01005A","","x-ray","0.71073","MoKα","","0.1306","0.0639","","","0.1209","0.1644","","","","","","1.069","","","","has coordinates","187033","2020-10-21","18:00:00",""
"7225549","8.401","0.0005","13.093","0.0009","13.775","0.001","63.746","0.002","89.633","0.002","75.599","0.002","1306.78","0.15","173","2","173","2","","","101.3","","","","","6","P -1","-P 1","2","","","","- C23 H27 Br Co N7 O5 -","- C23 H27 Br Co N7 O5 -","- C46 H54 Br2 Co2 N14 O10 -","2","1","","Sekine, Akiko; Ina, Sayaka; Johmoto, Kohei; Uekusa, Hidehiro","Control of the photochromic behavior of cobaloxime complexes with salicylidene-3-aminopyridine and 2-cyanoethyl groups by dual photoisomerization","CrystEngComm","2016","18","38","7330","","10.1039/C6CE01005A","","x-ray","0.71073","MoKα","","0.1276","0.0533","","","0.1151","0.1605","","","","","","1.134","","","","has coordinates,has disorder","187033","2020-10-21","18:00:00",""
"7225550","10.1677","0.0005","14.6615","0.0008","17.0409","0.0009","90","","106.069","0.001","90","","2441.1","0.2","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 F6 S2 -","- C28 H22 F6 S2 -","- C112 H88 F24 S8 -","4","1","","Fujinaga, Noriko; Nishikawa, Naoki; Nishimura, Ryo; Hyodo, Kengo; Yamazoe, Seiji; Kojima, Yuko; Yamamoto, Kazuki; Tsujioka, Tsuyoshi; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Uchida, Kingo","Photoinduced topographical changes on microcrystalline surfaces of diarylethenes","CrystEngComm","2016","18","38","7229","","10.1039/C6CE00718J","","","0.71073","MoKα","","0.0443","0.0399","","","0.0919","0.0941","","","","","","1.08","","","","has coordinates","187034","2020-10-21","18:00:00",""
"7225551","21.9703","0.0011","10.0662","0.0005","21.3","0.0011","90","","93.092","0.001","90","","4703.8","0.4","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 F6 S2 -","- C28 H22 F6 S2 -","- C224 H176 F48 S16 -","8","2","","Fujinaga, Noriko; Nishikawa, Naoki; Nishimura, Ryo; Hyodo, Kengo; Yamazoe, Seiji; Kojima, Yuko; Yamamoto, Kazuki; Tsujioka, Tsuyoshi; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Uchida, Kingo","Photoinduced topographical changes on microcrystalline surfaces of diarylethenes","CrystEngComm","2016","18","38","7229","","10.1039/C6CE00718J","","","0.71073","MoKα","","0.0554","0.0462","","","0.1006","0.1056","","","","","","1.116","","","","has coordinates","187034","2020-10-21","18:00:00",""
"7225552","10.7918","0.0003","13.7957","0.0005","20.5392","0.0005","83.691","0.003","87.739","0.002","86.459","0.003","3031.92","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C109.6 H131.2 Br11.2 Cl4 N20 Pt4 -","- C107 H126 Br6 Cl4 N20 Pt4 -","- C107 H126 Br6 Cl4 N20 Pt4 -","1","0.5","","Ivanov, Daniil M.; Novikov, Alexander S.; Starova, Galina L.; Haukka, Matti; Kukushkin, Vadim Yu.","A family of heterotetrameric clusters of chloride species and halomethanes held by two halogen and two hydrogen bonds","CrystEngComm","2016","18","28","5278","","10.1039/C6CE01179A","","","1.5418","CuKα","","0.0884","0.069","","","0.1624","0.1759","","","","","","1.065","","","","has coordinates","185275","2020-10-21","18:00:00",""
"7225553","9.8061","0.0005","13.1997","0.0006","13.2846","0.0006","115.493","0.002","91.131","0.002","107.138","0.002","1461.62","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H23 Cl4 N5 Pt -","- C31 H23 Cl4 N5 Pt -","- C62 H46 Cl8 N10 Pt2 -","2","1","","Ivanov, Daniil M.; Novikov, Alexander S.; Starova, Galina L.; Haukka, Matti; Kukushkin, Vadim Yu.","A family of heterotetrameric clusters of chloride species and halomethanes held by two halogen and two hydrogen bonds","CrystEngComm","2016","18","28","5278","","10.1039/C6CE01179A","","","0.71073","MoKα","","0.0256","0.0206","","","0.0446","0.0461","","","","","","1.038","","","","has coordinates","185275","2020-10-21","18:00:00",""
"7225554","10.7179","0.0003","13.6861","0.0004","20.5784","0.0007","84.512","0.003","87.526","0.002","85.48","0.002","2993.46","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C109.5 H131 Cl15 N20 Pt4 -","- C109.5 H131 Cl15 N20 Pt4 -","- C109.5 H131 Cl15 N20 Pt4 -","1","0.5","","Ivanov, Daniil M.; Novikov, Alexander S.; Starova, Galina L.; Haukka, Matti; Kukushkin, Vadim Yu.","A family of heterotetrameric clusters of chloride species and halomethanes held by two halogen and two hydrogen bonds","CrystEngComm","2016","18","28","5278","","10.1039/C6CE01179A","","","0.71073","MoKα","","0.0648","0.0465","","","0.0945","0.1022","","","","","","1.109","","","","has coordinates,has disorder","185275","2020-10-21","18:00:00",""
"7225565","6.7184","0.0011","9.4772","0.0014","9.9727","0.0015","94.5","0.002","96.361","0.003","98.937","0.002","620.44","0.17","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H11 O7 Zn -","- C11 H5 O7 Zn -","- C22 H10 O14 Zn2 -","2","1","","Wu, Yunlong; Yang, Guo-Ping; Liu, Jiao; Yan, Yangtian; Luan, Xinjun; Zhang, Wen-Yan; Wang, Yao-Yu","Crystal structures from 1D to 3D: triggered by the different coordination morphologies of ligands in different reaction systems","CrystEngComm","2016","18","31","5901","","10.1039/C6CE00731G","","","0.71073","MoKα","","0.1004","0.0688","","","0.2055","0.3005","","","","","","1.036","","","","has coordinates","185251","2020-10-21","18:00:00",""
"7225566","7.648","0.002","16.648","0.005","11.768","0.003","90","","115.798","0.013","90","","1349","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N O5 Zn -","- C14 H12 N O5 Zn -","- C56 H48 N4 O20 Zn4 -","4","1","","Wu, Yunlong; Yang, Guo-Ping; Liu, Jiao; Yan, Yangtian; Luan, Xinjun; Zhang, Wen-Yan; Wang, Yao-Yu","Crystal structures from 1D to 3D: triggered by the different coordination morphologies of ligands in different reaction systems","CrystEngComm","2016","18","31","5901","","10.1039/C6CE00731G","","","0.71073","MoKα","","0.0655","0.0416","","","0.1271","0.1851","","","","","","1.087","","","","has coordinates","185251","2020-10-21","18:00:00",""
"7225567","10.861","0.003","6.3914","0.0015","17.003","0.004","90","","105.828","0.004","90","","1135.5","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 O14 Zn3 -","- C22 H12 O14 Zn3 -","- C44 H24 O28 Zn6 -","2","0.5","","Wu, Yunlong; Yang, Guo-Ping; Liu, Jiao; Yan, Yangtian; Luan, Xinjun; Zhang, Wen-Yan; Wang, Yao-Yu","Crystal structures from 1D to 3D: triggered by the different coordination morphologies of ligands in different reaction systems","CrystEngComm","2016","18","31","5901","","10.1039/C6CE00731G","","","0.71073","MoKα","","0.0645","0.0472","","","0.2042","0.2375","","","","","","1.028","","","","has coordinates","185251","2020-10-21","18:00:00",""
"7225568","12.206","0.011","17.833","0.015","15.309","0.013","90","","111.229","0.014","90","","3106","5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H31 N O15 Zn2 -","- C26 H19 N O10 Zn2 -","- C104 H76 N4 O40 Zn8 -","4","1","","Wu, Yunlong; Yang, Guo-Ping; Liu, Jiao; Yan, Yangtian; Luan, Xinjun; Zhang, Wen-Yan; Wang, Yao-Yu","Crystal structures from 1D to 3D: triggered by the different coordination morphologies of ligands in different reaction systems","CrystEngComm","2016","18","31","5901","","10.1039/C6CE00731G","","","0.71073","MoKα","","0.0652","0.0527","","","0.1584","0.1698","","","","","","0.993","","","","has coordinates","185251","2020-10-21","18:00:00",""
"7225569","7.935","0.001","6.8376","0.0009","21.605","0.003","90","","105.871","0.004","90","","1127.5","0.3","296","2","296","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C22 H18 Cd O11 -","- C22 H10 Cd O11 -","- C44 H20 Cd2 O22 -","2","0.5","","Wu, Yunlong; Yang, Guo-Ping; Liu, Jiao; Yan, Yangtian; Luan, Xinjun; Zhang, Wen-Yan; Wang, Yao-Yu","Crystal structures from 1D to 3D: triggered by the different coordination morphologies of ligands in different reaction systems","CrystEngComm","2016","18","31","5901","","10.1039/C6CE00731G","","","0.71073","MoKα","","0.0485","0.0354","","","0.1051","0.1396","","","","","","1.07","","","","has coordinates","185251","2020-10-21","18:00:00",""
"7225570","7.5857","0.001","12.7604","0.0017","11.2862","0.0016","90","","95.635","0.002","90","","1087.2","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H16 Cd2 O11 -","- C22 H10 Cd2 O11 -","- C44 H20 Cd4 O22 -","2","1","","Wu, Yunlong; Yang, Guo-Ping; Liu, Jiao; Yan, Yangtian; Luan, Xinjun; Zhang, Wen-Yan; Wang, Yao-Yu","Crystal structures from 1D to 3D: triggered by the different coordination morphologies of ligands in different reaction systems","CrystEngComm","2016","18","31","5901","","10.1039/C6CE00731G","","","0.71073","MoKα","","0.0516","0.0422","","","0.1325","0.1824","","","","","","1.048","","","","has coordinates","185251","2020-10-21","18:00:00",""
"7225571","6.881","0.001","7.7133","0.0011","9.8423","0.0014","94.799","0.002","98.494","0.002","96.112","0.002","511.09","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H7 O5 Pb -","- C11 H5 O5 Pb -","- C22 H10 O10 Pb2 -","2","1","","Wu, Yunlong; Yang, Guo-Ping; Liu, Jiao; Yan, Yangtian; Luan, Xinjun; Zhang, Wen-Yan; Wang, Yao-Yu","Crystal structures from 1D to 3D: triggered by the different coordination morphologies of ligands in different reaction systems","CrystEngComm","2016","18","31","5901","","10.1039/C6CE00731G","","","0.71073","MoKα","","0.0723","0.0543","","","0.1571","0.2409","","","","","","1.065","","","","has coordinates","185251","2020-10-21","18:00:00",""
"7225572","11.248","0.002","12.241","0.002","12.431","0.003","102.219","0.006","92.044","0.007","109.964","0.006","1561.4","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H58 Mn3 N10 O18 -","- C56 H58 Mn3 N10 O18 -","- C56 H58 Mn3 N10 O18 -","1","0.5","","Gao, Heng Ya; Zhang, Le; Yan, Chang Sheng; Meng, Li Na; Li, Jian Qiang; Meng, Pan Pan; Gong, Le Le; Luo, Feng","In situ identification and absolute separation of small molecules by single crystal X-ray diffraction in metal‒organic frameworks","CrystEngComm","2016","18","29","5429","","10.1039/C6CE01085G","","","0.71073","MoKα","","0.0595","0.0519","","","0.1488","0.158","","","","","","1.064","","","","has coordinates","185264","2020-10-21","18:00:00",""
"7225573","11.2155","0.0019","12.436","0.002","12.44","0.002","102.507","0.008","91.252","0.008","110.743","0.008","1574.8","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H64 Mn3 N10 O18 -","- C58 H64 Mn3 N10 O18 -","- C58 H64 Mn3 N10 O18 -","1","0.5","","Gao, Heng Ya; Zhang, Le; Yan, Chang Sheng; Meng, Li Na; Li, Jian Qiang; Meng, Pan Pan; Gong, Le Le; Luo, Feng","In situ identification and absolute separation of small molecules by single crystal X-ray diffraction in metal‒organic frameworks","CrystEngComm","2016","18","29","5429","","10.1039/C6CE01085G","","","0.71073","MoKα","","0.0427","0.0374","","","0.1029","0.1088","","","","","","1.046","","","","has coordinates","185264","2020-10-21","18:00:00",""
"7225574","11.3694","0.0007","12.439","0.0007","12.4649","0.0008","102.276","0.003","110.249","0.003","92.234","0.003","1603.84","0.17","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H68 Mn3 N10 O18 -","- C60 H66 Mn3 N10 O18 -","- C60 H66 Mn3 N10 O18 -","1","0.5","","Gao, Heng Ya; Zhang, Le; Yan, Chang Sheng; Meng, Li Na; Li, Jian Qiang; Meng, Pan Pan; Gong, Le Le; Luo, Feng","In situ identification and absolute separation of small molecules by single crystal X-ray diffraction in metal‒organic frameworks","CrystEngComm","2016","18","29","5429","","10.1039/C6CE01085G","","","0.71073","MoKα","","0.0674","0.056","","","0.1288","0.1395","","","","","","1.131","","","","has coordinates","185264","2020-10-21","18:00:00",""
"7225575","11.5248","0.0006","15.4562","0.0009","18.8105","0.0011","91.181","0.003","98.392","0.003","107.518","0.003","3153.7","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H66 Mn3 N12 O17.5 -","- C60 H66 Mn3 N12 O17.5 -","- C120 H132 Mn6 N24 O35 -","2","1","","Gao, Heng Ya; Zhang, Le; Yan, Chang Sheng; Meng, Li Na; Li, Jian Qiang; Meng, Pan Pan; Gong, Le Le; Luo, Feng","In situ identification and absolute separation of small molecules by single crystal X-ray diffraction in metal‒organic frameworks","CrystEngComm","2016","18","29","5429","","10.1039/C6CE01085G","","","0.71073","MoKα","","0.1276","0.0892","","","0.2335","0.2719","","","","","","1.058","","","","has coordinates","185264","2020-10-21","18:00:00",""
"7225581","12.0439","0.0008","13.194","0.0005","25.6543","0.001","102.364","0.003","93.086","0.005","90.337","0.004","3975.7","0.3","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C74 H116 Cl3 I3 N4 O12 -","- C74 H116 Cl3 I3 N4 O12 -","- C148 H232 Cl6 I6 N8 O24 -","2","1","","Pan, Fangfang; Beyeh, Ngong Kodiah; Ras, Robin H. A.; Rissanen, Kari","N-Alkyl ammonium resorcinarene polyiodides","CrystEngComm","2016","18","30","5724","","10.1039/C6CE01229A","","x-ray","1.54184","CuKα","","0.1396","0.0909","","","0.2347","0.285","","","","","","1.029","","","","has coordinates,has disorder","185180","2020-10-21","18:00:00",""
"7225582","12.2171","0.0003","13.1621","0.0003","25.6541","0.0006","77.8171","0.0019","86.247","0.002","89.7322","0.0018","4023.52","0.17","123.01","0.1","123.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C74 H118.6 Br3 I3 N4 O12.8 -","- C74 H118.6 Br3 I3 N4 O12.8 -","- C148 H237.2 Br6 I6 N8 O25.6 -","2","1","","Pan, Fangfang; Beyeh, Ngong Kodiah; Ras, Robin H. A.; Rissanen, Kari","N-Alkyl ammonium resorcinarene polyiodides","CrystEngComm","2016","18","30","5724","","10.1039/C6CE01229A","","x-ray","1.54184","CuKα","","0.0946","0.0831","","","0.2289","0.2472","","","","","","1.035","","","","has coordinates,has disorder","185180","2020-10-21","18:00:00",""
"7225583","15.0087","0.0004","27.3833","0.0005","16.3215","0.0004","90","","91.343","0.002","90","","6706.1","0.3","123","0.1","123","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H96 Br3 I3 N4 O10 -","- C58 H96 Br3 I3 N4 O10 -","- C232 H384 Br12 I12 N16 O40 -","4","1","","Pan, Fangfang; Beyeh, Ngong Kodiah; Ras, Robin H. A.; Rissanen, Kari","N-Alkyl ammonium resorcinarene polyiodides","CrystEngComm","2016","18","30","5724","","10.1039/C6CE01229A","","x-ray","1.54184","CuKα","","0.0994","0.0692","","","0.1935","0.2275","","","","","","1.016","","","","has coordinates","185180","2020-10-21","18:00:00",""
"7225584","12.3868","0.0002","12.3868","0.0002","36.9094","0.0011","90","","90","","90","","5663.1","0.2","123","0.1","123","0.1","","","","","","","","6","P 4/n n c","-P 4a 2bc","126","","","","- C88 H128 Br7 I5 N8 O24 -","- C88 H128 Br7 I5 N8 O24 -","- C176 H256 Br14 I10 N16 O48 -","2","","","Pan, Fangfang; Beyeh, Ngong Kodiah; Ras, Robin H. A.; Rissanen, Kari","N-Alkyl ammonium resorcinarene polyiodides","CrystEngComm","2016","18","30","5724","","10.1039/C6CE01229A","","x-ray","1.54184","CuKα","","0.1237","0.1135","","","0.3201","0.3311","","","","","","1.17","","","","has coordinates,has disorder","185180","2020-10-21","18:00:00",""
"7225592","11.756","0.003","18.059","0.005","23.342","0.006","90","","104.947","0.012","90","","4788","2","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H32 Cd Cl2 N4 O4 -","- C40 H32 Cd Cl2 N4 O4 -","- C160 H128 Cd4 Cl8 N16 O16 -","4","1","","Cai, Li-Xuan; Chen, Cheng; Zhang, Ya-Jun; Yang, Xiao-Dong; Zhang, Jie","Photodimerization of an olefin-containing pyridinium-based metal‒organic complex and isomerization of its cyclobutane product upon recrystallization","CrystEngComm","2016","18","38","7347","","10.1039/C6CE00724D","","","0.71073","MoKα","","0.0663","0.0531","","","0.1588","0.1692","","","","","","0.97","","","","has coordinates","187028","2020-10-21","18:00:00",""
"7225593","27.982","0.008","12.703","0.004","16.341","0.005","90","","125.27","0.006","90","","4742","3","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 Cd Cl2 N2 O2 -","- C20 H16 Cd Cl2 N2 O2 -","- C160 H128 Cd8 Cl16 N16 O16 -","8","1","","Cai, Li-Xuan; Chen, Cheng; Zhang, Ya-Jun; Yang, Xiao-Dong; Zhang, Jie","Photodimerization of an olefin-containing pyridinium-based metal‒organic complex and isomerization of its cyclobutane product upon recrystallization","CrystEngComm","2016","18","38","7347","","10.1039/C6CE00724D","","","0.71073","MoKα","","0.0626","0.0466","","","0.1352","0.1426","","","","","","0.959","","","","has coordinates","187028","2020-10-21","18:00:00",""
"7225594","15.3055","0.0002","6.43674","0.00009","19.516","0.0003","87.279","0.0011","95.5964","0.0017","98.7257","0.0018","1890.31","0.05","173","2","173","2","","","","","","","see text","4","P -1","-P 1","2","sodium benzoate form II","sodium benzoate form II","","- C7 H5 Na O2 -","- C7 H5 Na O2 -","- C84 H60 Na12 O24 -","12","6","","Martin, T. W.; Gorelik, T. E.; Greim, D.; Butterhof, C.; Kolb, U.; Senker, J.; Breu, J.","Microphase separation upon crystallization of small amphiphilic molecules: ‘low’ temperature form II of sodium benzoate (E 211)","CrystEngComm","2016","18","31","5811","","10.1039/C6CE01281G","powder diffraction","","1.54175","CuKα","","","","","","","","","0.0058","2.831","","","","","","","has coordinates","287753","2023-11-23","09:34:45",""
"7225595","4.9955","0.0001","17.1031","0.0004","13.0176","0.0003","90","","100.38","0.002","90","","1094","0.04","294","2","294","1","","","","","","","","5","P 1 c 1","P -2yc","7","","(F2_23 or 11-059)","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C52 H36 F8 N4 O4 -","4","2","","Mocilac, P.; Osman, I. A.; Gallagher, J. F.","Short C‒H⋯F interactions involving the 2,5-difluorobenzene group: understanding the role of fluorine in aggregation and complex C‒F/C‒H disorder in a 2 ×6 isomer grid","CrystEngComm","2016","18","30","5764","","10.1039/C6CE00795C","","","0.71073","MoKα","","0.0722","0.0438","","","0.0895","0.0988","","","","","","0.991","","","","has coordinates","185181","2020-10-21","18:00:00",""
"7225596","5.2115","0.0002","6.4193","0.0003","16.1911","0.0007","90","","97.894","0.004","90","","536.53","0.04","294","2","294","2","","","","","","","","5","P 1 c 1","P -2yc","7","","(23_F2 or 10-015)","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C26 H18 F4 N2 O2 -","2","1","","Mocilac, P.; Osman, I. A.; Gallagher, J. F.","Short C‒H⋯F interactions involving the 2,5-difluorobenzene group: understanding the role of fluorine in aggregation and complex C‒F/C‒H disorder in a 2 ×6 isomer grid","CrystEngComm","2016","18","30","5764","","10.1039/C6CE00795C","","","0.71073","MoKα","","0.0492","0.0394","","","0.102","0.1061","","","","","","1.033","","","","has coordinates","185181","2020-10-21","18:00:00",""
"7225597","5.5268","0.0003","4.9905","0.0002","19.7058","0.0011","90","","90.665","0.005","90","","543.48","0.05","294","2","294","1","","","","","","","","5","P 1 n 1","P -2yac","7","","(F2_24 or 11-051)","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C26 H18 F4 N2 O2 -","2","1","","Mocilac, P.; Osman, I. A.; Gallagher, J. F.","Short C‒H⋯F interactions involving the 2,5-difluorobenzene group: understanding the role of fluorine in aggregation and complex C‒F/C‒H disorder in a 2 ×6 isomer grid","CrystEngComm","2016","18","30","5764","","10.1039/C6CE00795C","","","0.71073","MoKα","","0.1116","0.0347","","","0.0428","0.0514","","","","","","0.767","","","","has coordinates,has disorder","185181","2020-10-21","18:00:00",""
"7225598","5.425","0.0002","7.7256","0.0003","25.4216","0.0008","90","","92.708","0.003","90","","1064.26","0.07","294","2","294","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(24-F2 or 10-016)","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C52 H36 F8 N4 O4 -","4","1","","Mocilac, P.; Osman, I. A.; Gallagher, J. F.","Short C‒H⋯F interactions involving the 2,5-difluorobenzene group: understanding the role of fluorine in aggregation and complex C‒F/C‒H disorder in a 2 ×6 isomer grid","CrystEngComm","2016","18","30","5764","","10.1039/C6CE00795C","","","0.71073","MoKα","","0.131","0.0477","","","0.0782","0.0941","","","","","","0.837","","","","has coordinates","185181","2020-10-21","18:00:00",""
"7225599","24.4897","0.0016","5.0316","0.0003","8.6187","0.0006","90","","90","","90","","1062.02","0.12","294","2","294","1","","","","","","","","5","P c a 21","P 2c -2ac","29","","(F2_25 or 11-034)","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C52 H36 F8 N4 O4 -","4","1","","Mocilac, P.; Osman, I. A.; Gallagher, J. F.","Short C‒H⋯F interactions involving the 2,5-difluorobenzene group: understanding the role of fluorine in aggregation and complex C‒F/C‒H disorder in a 2 ×6 isomer grid","CrystEngComm","2016","18","30","5764","","10.1039/C6CE00795C","","","0.71073","MoKα","","0.0665","0.0591","","","0.1595","0.1675","","","","","","1.07","","","","has coordinates","185181","2020-10-21","18:00:00",""
"7225600","5.185","0.0008","24.767","0.004","8.3089","0.0019","90","","90.206","0.017","90","","1067","0.3","294","2","294","1","","","","","","","","5","P 1 c 1","P -2yc","7","","(25_F2 or 10-017)","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C52 H36 F8 N4 O4 -","4","2","","Mocilac, P.; Osman, I. A.; Gallagher, J. F.","Short C‒H⋯F interactions involving the 2,5-difluorobenzene group: understanding the role of fluorine in aggregation and complex C‒F/C‒H disorder in a 2 ×6 isomer grid","CrystEngComm","2016","18","30","5764","","10.1039/C6CE00795C","","","0.71073","MoKα","","0.1036","0.046","","","0.0844","0.0984","","","","","","0.82","","","","has coordinates,has disorder","185181","2020-10-21","18:00:00",""
"7225601","11.0951","0.0003","12.1037","0.0003","16.9753","0.0003","90","","94.195","0.002","90","","2273.54","0.09","294","2","294","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(F2_26 or 11-045)","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C104 H72 F16 N8 O8 -","8","2","","Mocilac, P.; Osman, I. A.; Gallagher, J. F.","Short C‒H⋯F interactions involving the 2,5-difluorobenzene group: understanding the role of fluorine in aggregation and complex C‒F/C‒H disorder in a 2 ×6 isomer grid","CrystEngComm","2016","18","30","5764","","10.1039/C6CE00795C","","","0.71073","MoKα","","0.105","0.0628","","","0.1476","0.173","","","","","","1.027","","","","has coordinates","185181","2020-10-21","18:00:00",""
"7225602","10.1031","0.0018","21.838","0.003","4.8875","0.0006","90","","90","","90","","1078.3","0.3","294","2","294","1","","","","","","","","5","P n a 21","P 2c -2n","33","","(26_F2 or 11-018)","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C52 H36 F8 N4 O4 -","4","1","","Mocilac, P.; Osman, I. A.; Gallagher, J. F.","Short C‒H⋯F interactions involving the 2,5-difluorobenzene group: understanding the role of fluorine in aggregation and complex C‒F/C‒H disorder in a 2 ×6 isomer grid","CrystEngComm","2016","18","30","5764","","10.1039/C6CE00795C","","","0.71073","MoKα","","0.0716","0.0336","","","0.0599","0.0667","","","","","","0.848","","","","has coordinates","185181","2020-10-21","18:00:00",""
"7225603","5.4841","0.0003","7.8068","0.0006","12.6875","0.0005","106.756","0.005","98.878","0.004","90.151","0.005","513.26","0.05","294","2","294","1","","","","","","","","5","P -1","-P 1","2","","(F2_34 or 11-036)","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C26 H18 F4 N2 O2 -","2","1","","Mocilac, P.; Osman, I. A.; Gallagher, J. F.","Short C‒H⋯F interactions involving the 2,5-difluorobenzene group: understanding the role of fluorine in aggregation and complex C‒F/C‒H disorder in a 2 ×6 isomer grid","CrystEngComm","2016","18","30","5764","","10.1039/C6CE00795C","","","0.71073","MoKα","","0.0463","0.0409","","","0.1122","0.1174","","","","","","1.042","","","","has coordinates","185181","2020-10-21","18:00:00",""
"7225604","5.4519","0.0002","7.7415","0.0005","12.9335","0.0007","106.965","0.005","100.535","0.004","90.213","0.004","512.37","0.05","294","2","294","1","","","","","","","","5","P -1","-P 1","2","","(34_F2 or 10-019)","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C26 H18 F4 N2 O2 -","2","1","","Mocilac, P.; Osman, I. A.; Gallagher, J. F.","Short C‒H⋯F interactions involving the 2,5-difluorobenzene group: understanding the role of fluorine in aggregation and complex C‒F/C‒H disorder in a 2 ×6 isomer grid","CrystEngComm","2016","18","30","5764","","10.1039/C6CE00795C","","","0.71073","MoKα","","0.0412","0.0333","","","0.0955","0.0983","","","","","","1.064","","","","has coordinates","185181","2020-10-21","18:00:00",""
"7225605","10.3601","0.0002","5.1575","0.0001","20.2429","0.0004","90","","103.012","0.002","90","","1053.85","0.04","294","2","294","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(F2_35 or 11-035)","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C52 H36 F8 N4 O4 -","4","1","","Mocilac, P.; Osman, I. A.; Gallagher, J. F.","Short C‒H⋯F interactions involving the 2,5-difluorobenzene group: understanding the role of fluorine in aggregation and complex C‒F/C‒H disorder in a 2 ×6 isomer grid","CrystEngComm","2016","18","30","5764","","10.1039/C6CE00795C","","","0.71073","MoKα","","0.0384","0.034","","","0.0868","0.09","","","","","","1.042","","","","has coordinates","185181","2020-10-21","18:00:00",""
"7225606","5.1095","0.0001","9.4583","0.0004","22.2306","0.0008","90","","96.284","0.003","90","","1067.89","0.06","294","2","294","1","","","","","","","","5","P 1 n 1","P -2yac","7","","(35_F2 or 10-021)","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C52 H36 F8 N4 O4 -","4","2","","Mocilac, P.; Osman, I. A.; Gallagher, J. F.","Short C‒H⋯F interactions involving the 2,5-difluorobenzene group: understanding the role of fluorine in aggregation and complex C‒F/C‒H disorder in a 2 ×6 isomer grid","CrystEngComm","2016","18","30","5764","","10.1039/C6CE00795C","","","0.71073","MoKα","","0.0771","0.0359","","","0.0813","0.0925","","","","","","0.857","","","","has coordinates,has disorder","185181","2020-10-21","18:00:00",""
"7225607","10.377","0.005","10.954","0.005","13.394","0.005","81.382","0.005","86.711","0.005","63.095","0.005","1342.3","1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 N8 O6 Zn -","- C28 H20 N8 O6 Zn -","- C56 H40 N16 O12 Zn2 -","2","1","","Bhattacharya, Biswajit; Maity, Dilip Kumar; Layek, Animesh; Jahiruddin, Sk; Halder, Arijit; Dey, Arka; Ghosh, Saheli; Chowdhury, Chandra; Datta, Ayan; Ray, Partha Pratim; Ghoshal, Debajyoti","Multifunctional mixed ligand metal organic frameworks: X-ray structure, adsorption, luminescence and electrical conductivity with theoretical correlation","CrystEngComm","2016","18","30","5754","","10.1039/C6CE01173J","","","0.71073","MoKα","","0.0465","0.04","","","0.1075","0.1123","","","","","","1.042","","","","has coordinates,has disorder","185182","2020-10-21","18:00:00",""
"7225608","8.0366","0.0001","9.3162","0.0002","12.3132","0.0002","97.715","0.001","108.104","0.001","113.175","0.001","770.05","0.03","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 N2 O7 Zn -","- C15 H15 N2 O7 Zn -","- C30 H30 N4 O14 Zn2 -","2","1","","Bhattacharya, Biswajit; Maity, Dilip Kumar; Layek, Animesh; Jahiruddin, Sk; Halder, Arijit; Dey, Arka; Ghosh, Saheli; Chowdhury, Chandra; Datta, Ayan; Ray, Partha Pratim; Ghoshal, Debajyoti","Multifunctional mixed ligand metal organic frameworks: X-ray structure, adsorption, luminescence and electrical conductivity with theoretical correlation","CrystEngComm","2016","18","30","5754","","10.1039/C6CE01173J","","","0.71073","MoKα","","0.0421","0.0377","","","0.1092","0.1124","","","","","","1.075","","","","has coordinates","185182","2020-10-21","18:00:00",""
"7225609","4.8563","0.0007","9.3274","0.0009","20.671","0.003","90","","103.494","0.011","90","","910.5","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.0774","0.0341","","","0.08","0.0957","","","","","","0.87","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225610","4.8492","0.0008","9.3222","0.0011","20.646","0.003","90","","103.324","0.013","90","","908.2","0.2","275","2","275","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.1","0.0351","","","0.0785","0.1048","","","","","","0.843","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225611","4.8433","0.0007","9.3162","0.001","20.618","0.003","90","","103.172","0.012","90","","905.8","0.2","250","2","250","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.0952","0.0377","","","0.0865","0.1155","","","","","","0.9","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225612","4.8349","0.0007","9.3138","0.001","20.579","0.003","90","","103.032","0.012","90","","902.8","0.2","225","2","225","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.0828","0.0358","","","0.0786","0.0964","","","","","","0.874","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225613","4.8273","0.0007","9.3086","0.0009","20.535","0.003","90","","102.85","0.011","90","","899.6","0.2","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.0839","0.0357","","","0.0815","0.1034","","","","","","0.939","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225614","4.8221","0.0006","9.3052","0.0009","20.493","0.003","90","","102.666","0.01","90","","897.2","0.2","175","2","175","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.0838","0.0362","","","0.0863","0.116","","","","","","0.972","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225615","4.8165","0.0006","9.3035","0.0008","20.45","0.003","90","","102.5","0.01","90","","894.65","0.19","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.0752","0.0354","","","0.0836","0.1057","","","","","","0.983","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225616","4.8107","0.0006","9.3013","0.0008","20.411","0.003","90","","102.337","0.01","90","","892.22","0.19","125","2","125","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.0744","0.0378","","","0.0892","0.1116","","","","","","1.013","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225617","4.8067","0.0006","9.3033","0.0008","20.367","0.002","90","","102.159","0.01","90","","890.34","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.0735","0.0392","","","0.0982","0.1264","","","","","","1.063","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225618","8.133","0.0011","11.3031","0.0013","23.884","0.004","90","","90","","90","","2195.6","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","glycine-phthalic acid (1:1)","glycine-phthalic acid (1:1)","","- C10 H11 N O6 -","- C10 H11 N O6 -","- C80 H88 N8 O48 -","8","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.1025","0.0538","","","0.1338","0.1783","","","","","","0.943","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225619","8.1071","0.0011","11.3252","0.0012","23.827","0.004","90","","90","","90","","2187.7","0.5","275","2","275","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","glycine-phthalic acid (1:1)","glycine-phthalic acid (1:1)","","- C10 H11 N O6 -","- C10 H11 N O6 -","- C80 H88 N8 O48 -","8","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.0807","0.0399","","","0.0884","0.1078","","","","","","0.923","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225620","8.0808","0.0011","11.3449","0.0012","23.766","0.004","90","","90","","90","","2178.8","0.5","250","2","250","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","glycine-phthalic acid (1:1)","glycine-phthalic acid (1:1)","","- C10 H11 N O6 -","- C10 H11 N O6 -","- C80 H88 N8 O48 -","8","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.0804","0.0405","","","0.0944","0.1189","","","","","","0.984","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225621","8.0565","0.001","11.3647","0.0012","23.719","0.004","90","","90","","90","","2171.7","0.5","225","2","225","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","glycine-phthalic acid (1:1)","glycine-phthalic acid (1:1)","","- C10 H11 N O6 -","- C10 H11 N O6 -","- C80 H88 N8 O48 -","8","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.0838","0.0465","","","0.1129","0.1474","","","","","","0.997","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225622","8.0324","0.001","11.3875","0.0011","23.665","0.003","90","","90","","90","","2164.6","0.4","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","glycine-phthalic acid (1:1)","glycine-phthalic acid (1:1)","","- C10 H11 N O6 -","- C10 H11 N O6 -","- C80 H88 N8 O48 -","8","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.0818","0.0491","","","0.124","0.1581","","","","","","1.019","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225623","8.0056","0.0009","11.4027","0.0011","23.615","0.003","90","","90","","90","","2155.7","0.4","175","2","175","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","glycine-phthalic acid (1:1)","glycine-phthalic acid (1:1)","","- C10 H11 N O6 -","- C10 H11 N O6 -","- C80 H88 N8 O48 -","8","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.0864","0.0565","","","0.1477","0.1754","","","","","","1.016","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225624","7.9837","0.001","11.4209","0.0012","23.589","0.003","90","","90","","90","","2150.9","0.4","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","glycine-phthalic acid (1:1)","glycine-phthalic acid (1:1)","","- C10 H11 N O6 -","- C10 H11 N O6 -","- C80 H88 N8 O48 -","8","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.0735","0.0432","","","0.104","0.1174","","","","","","0.927","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225625","7.9621","0.001","11.4304","0.0013","23.548","0.004","90","","90","","90","","2143.1","0.5","125","2","125","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","glycine-phthalic acid (1:1)","glycine-phthalic acid (1:1)","","- C10 H11 N O6 -","- C10 H11 N O6 -","- C80 H88 N8 O48 -","8","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.0759","0.0423","","","0.095","0.1066","","","","","","0.889","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225626","7.9445","0.0011","11.4431","0.0014","23.524","0.004","90","","90","","90","","2138.6","0.5","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","glycine-phthalic acid (1:1)","glycine-phthalic acid (1:1)","","- C10 H11 N O6 -","- C10 H11 N O6 -","- C80 H88 N8 O48 -","8","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.0858","0.0458","","","0.1015","0.1151","","","","","","0.894","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225627","7.8988","0.0008","11.3424","0.0012","23.327","0.01","90","","90","","90","","2089.9","0.9","293","2","293","2","500000","","500000","","","","","4","P b c a","-P 2ac 2ab","61","glycine-phthalic acid (1:1)","glycine-phthalic acid (1:1)","","- C10 H11 N O6 -","- C10 H11 N O6 -","- C80 H88 N8 O48 -","8","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.1999","0.0775","","","0.1747","0.2431","","","","","","1.021","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225628","4.8316","0.0003","9.291","0.002","20.4354","0.0015","90","","102.972","0.006","90","","893.9","0.2","293","2","293","2","100000","","100000","","","","","4","P 1 21/c 1","-P 2ybc","14","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","1","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.132","0.0619","","","0.1419","0.1915","","","","","","0.93","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225629","4.854","0.0004","9.3349","0.0011","19.2555","0.0015","98.866","0.008","92.311","0.006","96.887","0.008","854.31","0.14","293","2","293","2","400000","","400000","","","","","4","P -1","-P 1","2","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","2","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.1605","0.1012","","","0.2496","0.2992","","","","","","1.057","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225630","4.8193","0.0003","9.2205","0.0012","18.9807","0.0013","99.01","0.008","93.373","0.006","96.474","0.008","825.2","0.13","293","2","293","2","1010000","","1010000","","","","","4","P -1","-P 1","2","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","2","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.1571","0.0995","","","0.2501","0.3045","","","","","","1.063","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225631","4.8011","0.0003","9.1664","0.0013","18.8557","0.0016","99.072","0.009","93.873","0.006","96.313","0.008","811.42","0.15","293","2","293","2","1480000","","1010000","","","","","4","P -1","-P 1","2","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","2","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.1395","0.0623","","","0.1306","0.1527","","","","","","0.91","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225632","4.7793","0.0003","9.0995","0.0012","18.7215","0.0016","99.175","0.008","94.392","0.006","96.158","0.008","795.48","0.14","293","2","293","2","1960000","","1960000","","","","","4","P -1","-P 1","2","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","2","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.1325","0.0896","","","0.2193","0.2573","","","","","","1.03","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225633","4.7548","0.0003","9.0519","0.001","18.5909","0.0011","99.268","0.007","94.92","0.005","95.865","0.007","781.3","0.11","293","2","293","2","2460000","","2460000","","","","","4","P -1","-P 1","2","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","2","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.1369","0.0653","","","0.1322","0.1525","","","","","","0.887","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225634","4.7294","0.0003","9.015","0.0012","18.4226","0.0014","99.561","0.008","95.475","0.006","94.927","0.008","766.86","0.13","293","2","293","2","3130000","","3130000","","","","","4","P -1","-P 1","2","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","2","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.1382","0.0868","","","0.2096","0.2527","","","","","","1.043","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225635","4.7136","0.0003","8.9774","0.001","18.3305","0.0011","99.633","0.007","95.811","0.005","94.695","0.006","756.94","0.11","293","2","293","2","3570000","","3570000","","","","","4","P -1","-P 1","2","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","2","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.1464","0.0943","","","0.2387","0.2875","","","","","","1.083","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225636","4.7036","0.0003","8.9504","0.0012","18.2696","0.0014","99.64","0.008","96.012","0.006","94.585","0.008","750.37","0.13","293","2","293","2","3980000","","3980000","","","","","4","P -1","-P 1","2","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","2","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.1326","0.0829","","","0.2009","0.2423","","","","","","1.073","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225637","4.6911","0.0003","8.9235","0.0011","18.2045","0.0011","99.652","0.007","96.245","0.005","94.537","0.007","743.12","0.11","293","2","293","2","4400000","","4400000","","","","","4","P -1","-P 1","2","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","2","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.1233","0.079","","","0.197","0.2335","","","","","","1.045","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225638","4.6691","0.0003","8.8675","0.001","18.0795","0.0011","99.614","0.007","96.706","0.005","94.481","0.007","729.34","0.11","293","2","293","2","5310000","","5310000","","","","","4","P -1","-P 1","2","glycine-DL-tartaric acid (1:1)","glycine-DL-tartaric acid (1:1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","2","","Losev, E. A.; Zakharov, B. A.; Boldyreva, E. V.","Polymorphic transformations in glycine co-crystals at low temperature and high pressure: two new examples as a follow-up to a glycine‒glutaric acid study","CrystEngComm","2016","18","31","5869","","10.1039/C6CE00561F","","","0.71073","MoKα","","0.1171","0.0709","","","0.1611","0.1964","","","","","","1.032","","","","has coordinates","185253","2020-10-21","18:00:00",""
"7225639","12.0457","0.001","24.685","0.002","13.3843","0.0011","90","","99.531","0.001","90","","3924.9","0.6","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C82 H60 Eu3 N5 O22 -","- C82 H60 Eu3 N5 O22 -","- C164 H120 Eu6 N10 O44 -","2","1","","Yang, Li-Zi; Wang, Jun; Kirillov, Alexander M.; Dou, Wei; Xu, Cong; Fang, Ran; Xu, Cai-Ling; Liu, Wei-Sheng","2D lanthanide MOFs driven by a rigid 3,5-bis(3-carboxy-phenyl)pyridine building block: solvothermal syntheses, structural features, and photoluminescence and sensing properties","CrystEngComm","2016","18","34","6425","","10.1039/C6CE00885B","","","0.71073","MoKα","","0.0692","0.0538","","","0.1245","0.1325","","","","","","1.069","","","","has coordinates,has disorder","186356","2020-10-21","18:00:00",""
"7225640","12.008","0.0003","24.6141","0.0006","13.3586","0.0003","90","","99.442","0.002","90","","3894.86","0.16","173","0.1","173","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C87 H70 N6 O23 Tb3 -","- C87 H70 N6 O23 Tb3 -","- C174 H140 N12 O46 Tb6 -","2","1","","Yang, Li-Zi; Wang, Jun; Kirillov, Alexander M.; Dou, Wei; Xu, Cong; Fang, Ran; Xu, Cai-Ling; Liu, Wei-Sheng","2D lanthanide MOFs driven by a rigid 3,5-bis(3-carboxy-phenyl)pyridine building block: solvothermal syntheses, structural features, and photoluminescence and sensing properties","CrystEngComm","2016","18","34","6425","","10.1039/C6CE00885B","","x-ray","0.71073","MoKα","","0.0443","0.0406","","","0.0878","0.0908","","","","","","1.014","","","","has coordinates","186356","2020-10-21","18:00:00",""
"7225641","12.0744","0.0003","24.653","0.0007","13.3768","0.0003","90","","99.52","0.002","90","","3927.04","0.17","295.06","0.1","295.06","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C87 H70 N6 O23 Sm3 -","- C87 H70 N6 O23 Sm3 -","- C174 H140 N12 O46 Sm6 -","2","1","","Yang, Li-Zi; Wang, Jun; Kirillov, Alexander M.; Dou, Wei; Xu, Cong; Fang, Ran; Xu, Cai-Ling; Liu, Wei-Sheng","2D lanthanide MOFs driven by a rigid 3,5-bis(3-carboxy-phenyl)pyridine building block: solvothermal syntheses, structural features, and photoluminescence and sensing properties","CrystEngComm","2016","18","34","6425","","10.1039/C6CE00885B","","x-ray","0.71","MoKα","","0.0474","0.0408","","","0.083","0.0883","","","","","","1.031","","","","has coordinates","186356","2020-10-21","18:00:00",""
"7225642","11.9691","0.0003","24.5557","0.0007","13.3369","0.0004","90","","99.538","0.003","90","","3865.66","0.19","294.06","0.1","294.06","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C87 H70 Dy3 N6 O23 -","- C87 H70 Dy3 N6 O23 -","- C174 H140 Dy6 N12 O46 -","2","1","","Yang, Li-Zi; Wang, Jun; Kirillov, Alexander M.; Dou, Wei; Xu, Cong; Fang, Ran; Xu, Cai-Ling; Liu, Wei-Sheng","2D lanthanide MOFs driven by a rigid 3,5-bis(3-carboxy-phenyl)pyridine building block: solvothermal syntheses, structural features, and photoluminescence and sensing properties","CrystEngComm","2016","18","34","6425","","10.1039/C6CE00885B","","x-ray","0.71","MoKα","","0.033","0.031","","","0.0664","0.0678","","","","","","1.031","","","","has coordinates","186356","2020-10-21","18:00:00",""
"7225643","12.0505","0.0012","24.708","0.003","13.4026","0.0013","90","","99.519","0.002","90","","3935.6","0.7","296","2","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C87 H70 Gd3 N6 O23 -","- C87 H70 Gd3 N6 O23 -","- C174 H140 Gd6 N12 O46 -","2","1","","Yang, Li-Zi; Wang, Jun; Kirillov, Alexander M.; Dou, Wei; Xu, Cong; Fang, Ran; Xu, Cai-Ling; Liu, Wei-Sheng","2D lanthanide MOFs driven by a rigid 3,5-bis(3-carboxy-phenyl)pyridine building block: solvothermal syntheses, structural features, and photoluminescence and sensing properties","CrystEngComm","2016","18","34","6425","","10.1039/C6CE00885B","","","0.71073","MoKα","","0.0576","0.0429","","","0.069","0.0753","","","","","","0.967","","","","has coordinates,has disorder","186356","2020-10-21","18:00:00",""
"7225667","3.8653","0.0004","11.5522","0.0012","14.4711","0.0014","98.976","0.006","93.377","0.005","91.025","0.006","636.91","0.11","100","2","100","2","","","","","","","commercial","5","P -1","-P 1","2","","","","- C13 H11 Cl2 N O4 -","- C13 H11 Cl2 N O4 -","- C26 H22 Cl4 N2 O8 -","2","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.0767","0.0457","","","0.0909","0.098","","","","","","1.019","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225668","7.6305","0.0002","8.3081","0.0002","8.4348","0.0002","65.839","0.001","80.61","0.002","88.28","0.001","480.94","0.02","100","2","100","2","","","","","","","commercial","5","P -1","-P 1","2","","","","- C20 H20 Cl2 N2 O4 -","- C20 H20 Cl2 N2 O4 -","- C20 H20 Cl2 N2 O4 -","1","0.5","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.0295","0.0266","","","0.0813","0.0828","","","","","","1.063","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225669","7.6305","0.0002","8.3081","0.0002","8.4348","0.0002","65.839","0.001","80.61","0.002","88.28","0.001","480.94","0.02","100","2","100","2","","","","","","","commercial","5","P -1","-P 1","2","","","","- C20 H20 Cl2 N2 O4 -","- C20 H20 Cl2 N2 O4 -","- C20 H20 Cl2 N2 O4 -","1","0.5","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.021","0.017","","","","0.022","","","","","","1.33","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225670","5.0687","0.0002","11.2561","0.0004","11.6281","0.0003","96.274","0.002","91.96","0.002","90.609","0.001","659","0.04","100","2","100","2","","","","","","","commercial","5","P -1","-P 1","2","","","","- C13 H11 Cl2 N O4 -","- C13 H11 Cl2 N O4 -","- C26 H22 Cl4 N2 O8 -","2","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.0292","0.0247","","","0.0763","0.0786","","","","","","1.039","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225671","5.0687","0.0002","11.2561","0.0004","11.6281","0.0003","96.274","0.002","91.96","0.002","90.609","0.001","659","0.04","100","2","100","2","","","","","","","commercial","5","P -1","-P 1","2","","","","- C13 H11 Cl2 N O4 -","- C13 H11 Cl2 N O4 -","- C26 H22 Cl4 N2 O8 -","2","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.022","0.016","","","","0.02","","","","","","1.204","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225672","5.0687","0.0002","11.2561","0.0004","11.6281","0.0003","96.274","0.002","91.96","0.002","90.609","0.001","659","0.04","100","2","100","2","","","","","","","commercial","5","P -1","-P 1","2","","","","- C13 H11 Cl2 N O4 -","- C13 H11 Cl2 N O4 -","- C26 H22 Cl4 N2 O8 -","2","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","neutron","0.9484","neutron","","0.0399","0.0292","","","0.0592","0.0623","","","","","","1.055","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225673","7.5644","0.0005","15.7136","0.001","16.6651","0.0011","90","","90","","90","","1980.9","0.2","100","2","100","2","","","","","","","commercial","5","P c a b","-P 2bc 2ac","61","","","","- C20 H20 Cl2 N2 O4 -","- C20 H20 Cl2 N2 O4 -","- C80 H80 Cl8 N8 O16 -","4","0.5","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.0515","0.0368","","","0.1018","0.1079","","","","","","1.035","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225674","7.5644","0.0005","15.7136","0.001","16.6651","0.0011","90","","90","","90","","1980.9","0.2","100","2","100","2","","","","","","","commercial","5","P c a b","-P 2bc 2ac","61","","","","- C20 H20 Cl2 N2 O4 -","- C20 H20 Cl2 N2 O4 -","- C80 H80 Cl8 N8 O16 -","4","0.5","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.056","0.029","","","","0.028","","","","","","1.447","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225675","7.7415","0.0002","11.0538","0.0003","15.4495","0.0003","90","","95.514","0.001","90","","1315.94","0.06","100","2","100","2","","","","","","","commercial","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 Cl2 N O4 -","- C13 H11 Cl2 N O4 -","- C52 H44 Cl8 N4 O16 -","4","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.0372","0.0274","","","0.0816","0.0849","","","","","","1.047","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225676","7.7415","0.0002","11.0538","0.0003","15.4495","0.0003","90","","95.514","0.001","90","","1315.94","0.06","100","2","100","2","","","","","","","commercial","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 Cl2 N O4 -","- C13 H11 Cl2 N O4 -","- C52 H44 Cl8 N4 O16 -","4","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.032","0.019","","","","0.021","","","","","","1.131","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225677","7.7415","0.0002","11.0538","0.0003","15.4495","0.0003","90","","95.514","0.001","90","","1315.94","0.06","100","2","100","2","","","","","","","commercial","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 Cl2 N O4 -","- C13 H11 Cl2 N O4 -","- C52 H44 Cl8 N4 O16 -","4","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","neutron","0.9484","neutron","","0.0524","0.0378","","","0.0891","0.0941","","","","","","1.103","","","","has coordinates,has disorder","185184","2020-10-21","18:00:00",""
"7225678","8.087","0.0003","11.4214","0.0005","10.3253","0.0004","90","","100.451","0.002","90","","937.87","0.07","100","2","100","2","","","","","","","commercial","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Cl2 N2 O4 -","- C20 H20 Cl2 N2 O4 -","- C40 H40 Cl4 N4 O8 -","2","0.5","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.0303","0.0251","","","0.0816","0.0839","","","","","","1.056","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225679","8.087","0.0003","11.4214","0.0005","10.3253","0.0004","90","","100.451","0.002","90","","937.87","0.07","100","2","100","2","","","","","","","commercial","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Cl2 N2 O4 -","- C20 H20 Cl2 N2 O4 -","- C40 H40 Cl4 N4 O8 -","2","0.5","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.023","0.015","","","","0.019","","","","","","1.171","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225680","9.0071","0.0003","9.0326","0.0003","9.0768","0.0003","93.526","0.002","104.359","0.002","110.821","0.002","659.48","0.04","100","2","100","2","","","","","","","commercial","5","P -1","-P 1","2","","","","- C13 H11 Cl2 N O4 -","- C13 H11 Cl2 N O4 -","- C26 H22 Cl4 N2 O8 -","2","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.0346","0.0264","","","0.0799","0.083","","","","","","1.038","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225681","9.0071","0.0003","9.0326","0.0003","9.0768","0.0003","93.526","0.002","104.359","0.002","110.821","0.002","659.48","0.04","100","2","100","2","","","","","","","commercial","5","P -1","-P 1","2","","","","- C13 H11 Cl2 N O4 -","- C13 H11 Cl2 N O4 -","- C26 H22 Cl4 N2 O8 -","2","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.029","0.018","","","","0.02","","","","","","1.088","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225682","9.0071","0.0003","9.0326","0.0003","9.0768","0.0003","93.526","0.002","104.359","0.002","110.821","0.002","659.48","0.04","100","2","100","2","","","","","","","commercial","5","P -1","-P 1","2","","","","- C13 H11 Cl2 N O4 -","- C13 H11 Cl2 N O4 -","- C26 H22 Cl4 N2 O8 -","2","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","neutron","0.9484","neutron","","0.0409","0.0337","","","0.0779","0.0808","","","","","","1.106","","","","has coordinates,has disorder","185184","2020-10-21","18:00:00",""
"7225683","7.1427","0.0003","9.3025","0.0004","14.7753","0.0006","90","","94.526","0.002","90","","978.68","0.07","100","2","100","2","","","","","","","commercial","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Cl2 N2 O4 -","- C20 H20 Cl2 N2 O4 -","- C40 H40 Cl4 N4 O8 -","2","0.5","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.0557","0.0348","","","0.0939","0.1011","","","","","","1.017","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225684","7.14","0.005","9.29","0.005","14.774","0.005","90","0.005","94.463","0.005","90","0.005","977","0.9","100","2","100","2","","","","","","","commercial","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Cl2 N2 O4 -","- C20 H20 Cl2 N2 O4 -","- C40 H40 Cl4 N4 O8 -","2","0.5","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.06","0.028","","","","0.026","","","","","","1.155","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225685","7.1427","0.0003","9.3025","0.0004","14.7753","0.0006","90","","94.526","0.002","90","","978.68","0.07","100","2","100","2","","","","","","","commercial","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Cl2 N2 O4 -","- C20 H20 Cl2 N2 O4 -","- C40 H40 Cl4 N4 O8 -","2","0.5","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","neutron","0.9484","neutron","","0.1269","0.0888","","","0.223","0.2545","","","","","","0.989","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225686","10.601","0.0002","5.1679","0.0001","24.3363","0.0004","90","","97.199","0.001","90","","1322.75","0.04","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 Cl2 N O4 -","- C13 H11 Cl2 N O4 -","- C52 H44 Cl8 N4 O16 -","4","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.0509","0.0328","","","0.0909","0.0965","","","","","","1.02","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225687","10.601","0.0002","5.1679","0.0001","24.3363","0.0004","90","","97.199","0.001","90","","1322.75","0.04","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 Cl2 N O4 -","- C13 H11 Cl2 N O4 -","- C52 H44 Cl8 N4 O16 -","4","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.051","0.027","","","","0.024","","","","","","1.094","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225688","7.0429","0.0002","9.3113","0.0002","14.621","0.0003","90","","90.303","0.001","90","","958.81","0.04","100","2","100","2","","","","","","","commercial","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 Cl2 N2 O4 -","- C20 H20 Cl2 N2 O4 -","- C40 H40 Cl4 N4 O8 -","2","0.5","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.0396","0.0333","","","0.1027","0.1065","","","","","","1.07","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225689","7.0429","0.0002","9.3113","0.0002","14.621","0.0003","90","","90.303","0.001","90","","958.81","0.04","100","2","100","2","","","","","","","commercial","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 Cl2 N2 O4 -","- C20 H20 Cl2 N2 O4 -","- C40 H40 Cl4 N4 O8 -","2","0.5","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.034","0.024","","","","0.033","","","","","","2.046","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225690","11.3192","0.0004","10.2762","0.0004","11.7534","0.0004","90","","100.198","0.002","90","","1345.54","0.08","100","2","100","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C13 H11 Cl2 N O4 -","- C13 H11 Cl2 N O4 -","- C52 H44 Cl8 N4 O16 -","4","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.0448","0.0336","","","0.0891","0.0943","","","","","","1.032","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225691","11.3192","0.0004","10.2762","0.0004","11.7534","0.0004","90","","100.198","0.002","90","","1345.54","0.08","100","2","100","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C13 H11 Cl2 N O4 -","- C13 H11 Cl2 N O4 -","- C52 H44 Cl8 N4 O16 -","4","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.043","0.026","","","","0.028","","","","","","1.575","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225692","7.9413","0.0003","8.901","0.0004","9.0838","0.0003","71.31","0.002","70.358","0.001","76.061","0.002","566.42","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H28 Cl2 N2 O8 -","- C20 H28 Cl2 N2 O8 -","- C20 H28 Cl2 N2 O8 -","1","0.5","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.0354","0.0289","","","0.0872","0.0903","","","","","","1.029","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225693","10.036","0.002","7.6591","0.0017","13.948","0.003","90","","99.62","0.014","90","","1057.1","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 Cl2 N2 O6 -","- C20 H24 Cl2 N2 O6 -","- C40 H48 Cl4 N4 O12 -","2","0.5","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.0668","0.0429","","","0.0909","0.0991","","","","","","1.04","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225694","10.6104","0.0004","17.7659","0.0007","12.3211","0.0005","90","","108.681","0.001","90","","2200.21","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 Cl2 N2 O7 -","- C20 H26 Cl2 N2 O7 -","- C80 H104 Cl8 N8 O28 -","4","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.0438","0.0334","","","0.0962","0.1008","","","","","","1.046","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225695","8.0154","0.0003","9.3997","0.0003","11.8524","0.0005","71.632","0.002","88.044","0.002","86.436","0.002","845.75","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 Cl3 N O6 -","- C16 H12 Cl3 N O6 -","- C32 H24 Cl6 N2 O12 -","2","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.0452","0.0332","","","0.0775","0.0814","","","","","","1.04","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225696","18.3393","0.0005","4.9542","0.0001","19.8433","0.0005","90","","110.869","0.001","90","","1684.62","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 Cl3 N O6 -","- C16 H12 Cl3 N O6 -","- C64 H48 Cl12 N4 O24 -","4","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.0267","0.0239","","","0.0644","0.0652","","","","","","1.064","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225697","8.4477","0.0003","10.5046","0.0003","18.2834","0.0004","99.084","0.0016","93.6611","0.0017","91.1015","0.0012","1598.14","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H23 Cl5 N2 O10 -","- C29 H23 Cl5 N2 O10 -","- C58 H46 Cl10 N4 O20 -","2","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.0583","0.0336","","","0.0816","0.0863","","","","","","1.05","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225698","11.7516","0.0011","11.5488","0.0012","15.4398","0.0015","90","","95.931","0.006","90","","2084.2","0.4","100","2","100","2","","","","","","","commercial","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H25 Cl2 N O4 -","- C20 H25 Cl2 N O4 -","- C80 H100 Cl8 N4 O16 -","4","1","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.0791","0.0406","","","0.0862","0.1025","","","","","","1.026","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225699","20.1682","0.0002","20.1682","0.0002","20.1682","0.0002","90","","90","","90","","8203.54","0.14","296","2","296","2","","","","","","","","5","P m -3 n","-P 4n 2 3","223","","","","- C60 H37.92 In8 N36 O55 -","- C60 H37.92 In8 N36 O55 -","- C120 H75.84 In16 N72 O110 -","2","0.0416667","","Guo, Xiao-Qing; Wang, Miao; Meng, Fei; Tang, Yan-Feng; Tian, Shu; Yang, Hua-Ling; Jiang, Guo-Qing; Zhu, Jin-Li","Rational design and synthesis of an amino-functionalized hydrogen-bonded network with an ACO zeolite-like topology for gas storage","CrystEngComm","2016","18","30","5616","","10.1039/C6CE01164K","","","0.71073","MoKα","","0.0974","0.0912","","","0.2921","0.3045","","","","","","1.384","","","","has coordinates","185185","2020-10-21","18:00:00",""
"7225700","6.5991","0.0007","6.9097","0.0007","8.2602","0.0009","109.839","0.01","95.545","0.009","94.714","0.008","349.97","0.07","","","293.2","","","","","","","","","5","P 1","P 1","1","","1,5,3-dithiazepan-3-ol","","- C2.667 H6 N0.667 O0.667 S1.333 -","- C2.66667 H6 N0.666667 O0.666667 S1.33333 -","- C8 H18 N2 O2 S4 -","3","3","","Tulyabaev, Arthur R.; Mescheryakova, Ekaterina S.; Khabibullina, Guzel R.; Khalilov, Leonard M.","Intermolecular interactions and chiral crystallization effects in (1,5,3-dithiazepan-3-yl)-alkanoic acids","CrystEngComm","2016","18","30","5686","","10.1039/C6CE00708B","","x-ray","0.7107","MoKα","","0.044094","0.035372","","","","0.1103","","","","","","1.10693","","","","has coordinates","185186","2020-10-21","18:00:00",""
"7225701","6.4993","0.0006","8.663","0.0006","8.5034","0.0005","90","","104.738","0.007","90","","463.02","0.06","200","2","200.2","","","","","","","","","5","P 1 21 1","P 2yb","4","","2-(1,5,3-dithiazepan-3-yl)propanoic acid","","- C7 H13 N O2 S2 -","- C7 H13 N O2 S2 -","- C14 H26 N2 O4 S4 -","2","1","","Tulyabaev, Arthur R.; Mescheryakova, Ekaterina S.; Khabibullina, Guzel R.; Khalilov, Leonard M.","Intermolecular interactions and chiral crystallization effects in (1,5,3-dithiazepan-3-yl)-alkanoic acids","CrystEngComm","2016","18","30","5686","","10.1039/C6CE00708B","","","0.71073","MoKα","","0.0396","0.0381","","","0.1086","0.1108","","","","","","1.108","","","","has coordinates","185186","2020-10-21","18:00:00",""
"7225702","6.58182","0.00017","16.4019","0.0004","11.5843","0.0004","90","","98.923","0.003","90","","1235.44","0.06","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(1,5,3-dithiazepan-3-yl)acetic acid","","- C8 H17 N O3 S3 -","- C8 H17 N O3 S3 -","- C32 H68 N4 O12 S12 -","4","1","","Tulyabaev, Arthur R.; Mescheryakova, Ekaterina S.; Khabibullina, Guzel R.; Khalilov, Leonard M.","Intermolecular interactions and chiral crystallization effects in (1,5,3-dithiazepan-3-yl)-alkanoic acids","CrystEngComm","2016","18","30","5686","","10.1039/C6CE00708B","","","0.71073","","","0.0374","0.0318","","","0.0736","0.0762","","","","","","1.067","","","","has coordinates","185186","2020-10-21","18:00:00",""
"7225703","10.5874","0.0004","10.2833","0.0003","25.2185","0.001","90","","90","","90","","2745.62","0.17","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-(1,5,3-dithiazepan-3-yl)-2-phenylpropanoic acid","","- C13 H17 N O2 S2 -","- C13 H17 N O2 S2 -","- C104 H136 N8 O16 S16 -","8","1","","Tulyabaev, Arthur R.; Mescheryakova, Ekaterina S.; Khabibullina, Guzel R.; Khalilov, Leonard M.","Intermolecular interactions and chiral crystallization effects in (1,5,3-dithiazepan-3-yl)-alkanoic acids","CrystEngComm","2016","18","30","5686","","10.1039/C6CE00708B","","","0.71073","MoKα","","0.0558","0.0464","","","0.1113","0.1176","","","","","","1.11","","","","has coordinates","185186","2020-10-21","18:00:00",""
"7225704","10.6926","0.0006","10.9871","0.0007","21.4364","0.0015","90","","90","","90","","2518.4","0.3","200.19","0.1","200.19","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(S)-(+)-2-(1,5,3-dithiazepan-3-yl)-4-methylpentanoic acid","","- C10 H19 N O2 S2 -","- C10 H19 N O2 S2 -","- C80 H152 N8 O16 S16 -","8","2","","Tulyabaev, Arthur R.; Mescheryakova, Ekaterina S.; Khabibullina, Guzel R.; Khalilov, Leonard M.","Intermolecular interactions and chiral crystallization effects in (1,5,3-dithiazepan-3-yl)-alkanoic acids","CrystEngComm","2016","18","30","5686","","10.1039/C6CE00708B","","","0.71073","MoKα","","0.0781","0.0602","","","0.1102","0.1211","","","","","","1.012","","","","has coordinates","185186","2020-10-21","18:00:00",""
"7225705","5.0968","0.0003","6.7869","0.0003","16.636","0.001","78.801","0.005","87.344","0.005","69.141","0.005","527.34","0.05","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","2-(1,5,3-dithiazepan-3-yl)butanoic acid","","- C8 H15 N O2 S2 -","- C8 H15 N O2 S2 -","- C16 H30 N2 O4 S4 -","2","1","","Tulyabaev, Arthur R.; Mescheryakova, Ekaterina S.; Khabibullina, Guzel R.; Khalilov, Leonard M.","Intermolecular interactions and chiral crystallization effects in (1,5,3-dithiazepan-3-yl)-alkanoic acids","CrystEngComm","2016","18","30","5686","","10.1039/C6CE00708B","","","0.7107","MoKα","","0.0466","0.0384","","","0.119","0.1328","","","","","","0.943","","","","has coordinates","185186","2020-10-21","18:00:00",""
"7225706","6.8616","0.0011","8.8688","0.0008","8.9458","0.001","66.923","0.01","70.122","0.013","85.373","0.01","470.12","0.12","200","2","200","2","","","","","","","","5","P 1","P 1","1","","(S)-(+)-2-(1,5,3-dithiazepan-3-yl)-3-hydroxypropanoic acid","","- C7 H13 N O3 S2 -","- C7 H13 N O3 S2 -","- C14 H26 N2 O6 S4 -","2","2","","Tulyabaev, Arthur R.; Mescheryakova, Ekaterina S.; Khabibullina, Guzel R.; Khalilov, Leonard M.","Intermolecular interactions and chiral crystallization effects in (1,5,3-dithiazepan-3-yl)-alkanoic acids","CrystEngComm","2016","18","30","5686","","10.1039/C6CE00708B","","x-ray","0.71073","","","0.0524","0.0467","","","0.1122","0.1182","","","","","","0.864","","","","has coordinates","185186","2020-10-21","18:00:00",""
"7225707","4.9212","0.0005","30.519","0.002","6.7336","0.0004","90","","103.709","0.008","90","","982.51","0.14","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-(1,5,3-dithiazepan-3-yl)propanoic acid","","- C7 H12 N O2 S2 -","- C7 H12 N O2 S2 -","- C28 H48 N4 O8 S8 -","4","1","","Tulyabaev, Arthur R.; Mescheryakova, Ekaterina S.; Khabibullina, Guzel R.; Khalilov, Leonard M.","Intermolecular interactions and chiral crystallization effects in (1,5,3-dithiazepan-3-yl)-alkanoic acids","CrystEngComm","2016","18","30","5686","","10.1039/C6CE00708B","","","0.71073","MoKα","","0.0678","0.0536","","","0.1348","0.1448","","","","","","1.057","","","","has coordinates,has disorder","185186","2020-10-21","18:00:00",""
"7225708","6.6882","0.0003","8.6039","0.0004","8.0793","0.0004","90","","94.507","0.005","90","","463.48","0.04","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-(1,5,3-dithiazepan-3-yl)acetic acid","","- C6 H13 N O3 S2 -","- C6 H13 N O3 S2 -","- C12 H26 N2 O6 S4 -","2","1","","Tulyabaev, Arthur R.; Mescheryakova, Ekaterina S.; Khabibullina, Guzel R.; Khalilov, Leonard M.","Intermolecular interactions and chiral crystallization effects in (1,5,3-dithiazepan-3-yl)-alkanoic acids","CrystEngComm","2016","18","30","5686","","10.1039/C6CE00708B","","","0.71073","","","0.0313","0.0303","","","0.0865","0.0888","","","","","","0.853","","","","has coordinates","185186","2020-10-21","18:00:00",""
"7225711","35.116","0.002","7.7402","0.0005","9.1539","0.0005","90","","90","","90","","2488.1","0.3","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C11 H18 Cl N O -","- C11 H18 Cl N O -","- C88 H144 Cl8 N8 O8 -","8","1","","Namespetra, Andrew M.; Hirsh, David A.; Hildebrand, Marcel P.; Sandre, Anthony R.; Hamaed, Hiyam; Rawson, Jeremy M.; Schurko, Robert W.","35Cl solid-state NMR spectroscopy of HCl pharmaceuticals and their polymorphs in bulk and dosage forms","CrystEngComm","2016","18","33","6213","","10.1039/C6CE01069E","","","0.71073","MoKα","","0.0585","0.0577","","","0.1075","0.1078","","","","","","1.452","","","","has coordinates","190385","2020-10-21","18:00:00",""
"7225712","5.964","0.002","20.098","0.008","14.385","0.008","90","","99.25","0.05","90","","1701.8","1.3","250","2","250","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(diisobutylammonium) octabromodiantimonate(III)","","- C8 H20 Br4 N Sb -","- C8.018 H20.054 Br4 N Sb -","- C32.072 H80.216 Br16 N4 Sb4 -","4","1","","Wojciechowska, Martyna; Szklarz, Przemysław; Białońska, Agata; Baran, Jan; Janicki, Rafał; Medycki, Wojciech; Durlak, Piotr; Piecha-Bisiorek, Anna; Jakubas, Ryszard","Enormous lattice distortion through an isomorphous phase transition in an organic‒inorganic hybrid based on haloantimonate(iii)","CrystEngComm","2016","18","33","6184","","10.1039/C6CE01008C","","","0.71073","MoKα","","0.0663","0.046","","","0.1133","0.121","","","","","","0.915","","","","has coordinates,has disorder","186362","2020-10-21","18:00:00",""
"7225713","6.046","0.002","18.186","0.003","14.839","0.003","90","","96.32","0.02","90","","1621.7","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(diisobutylammonium) octabromodiantimonate(III)","","- C8 H20 Br4 N Sb -","- C8 H20 Br4 N Sb -","- C32 H80 Br16 N4 Sb4 -","4","1","","Wojciechowska, Martyna; Szklarz, Przemysław; Białońska, Agata; Baran, Jan; Janicki, Rafał; Medycki, Wojciech; Durlak, Piotr; Piecha-Bisiorek, Anna; Jakubas, Ryszard","Enormous lattice distortion through an isomorphous phase transition in an organic‒inorganic hybrid based on haloantimonate(iii)","CrystEngComm","2016","18","33","6184","","10.1039/C6CE01008C","","","0.71073","MoKα","","0.0511","0.0325","","","0.0724","0.0752","","","","","","1.007","","","","has coordinates","186362","2020-10-21","18:00:00",""
"7225714","5.79","0.002","19.485","0.003","14.275","0.003","90","","101.28","0.03","90","","1579.4","0.7","250","2","250","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(diisobutylammonium) octachlorodiantimonate(III)","","- C8 H20 Cl4 N Sb -","- C8 H20 Cl4 N Sb -","- C32 H80 Cl16 N4 Sb4 -","4","1","","Wojciechowska, Martyna; Szklarz, Przemysław; Białońska, Agata; Baran, Jan; Janicki, Rafał; Medycki, Wojciech; Durlak, Piotr; Piecha-Bisiorek, Anna; Jakubas, Ryszard","Enormous lattice distortion through an isomorphous phase transition in an organic‒inorganic hybrid based on haloantimonate(iii)","CrystEngComm","2016","18","33","6184","","10.1039/C6CE01008C","","","0.71073","MoKα","","0.0728","0.0343","","","0.0589","0.0645","","","","","","0.822","","","","has coordinates","186362","2020-10-21","18:00:00",""
"7225715","5.75","0.002","19.314","0.003","14.248","0.003","90","","101.99","0.02","90","","1547.8","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(diisobutylammonium) octachlorodiantimonate(III)","","- C8 H20 Cl4 N Sb -","- C8 H20 Cl4 N Sb -","- C32 H80 Cl16 N4 Sb4 -","4","1","","Wojciechowska, Martyna; Szklarz, Przemysław; Białońska, Agata; Baran, Jan; Janicki, Rafał; Medycki, Wojciech; Durlak, Piotr; Piecha-Bisiorek, Anna; Jakubas, Ryszard","Enormous lattice distortion through an isomorphous phase transition in an organic‒inorganic hybrid based on haloantimonate(iii)","CrystEngComm","2016","18","33","6184","","10.1039/C6CE01008C","","","0.71073","MoKα","","0.0354","0.0287","","","0.0784","0.0803","","","","","","1.146","","","","has coordinates","186362","2020-10-21","18:00:00",""
"7225720","27.249","0.005","27.42","0.005","25.189","0.005","90","0.005","90","0.005","90","0.005","18820","6","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C96 H108 Co5 N32 O100 P2 W24 -","- C96 H80 Co5 N32 O86 P2 W24 -","- C384 H320 Co20 N128 O344 P8 W96 -","4","0.5","","Zhao, Chunyan; Li, Shaobin; Ma, Huiyuan; Zhang, Chunjing; Pang, Haijun; Yu, Yan; Zhang, Zhuanfang","The factors affecting the assembly of Keggin‒metal‒bimb systems: charge/polarity of Keggin polyanions and coordination modes of metal cations","CrystEngComm","2016","18","33","6233","","10.1039/C6CE00880A","","","0.71069","MoKα","","0.0731","0.0493","","","0.1211","0.1328","","","","","","0.809","","","","has coordinates","186363","2020-10-21","18:00:00",""
"7225721","26.8635","0.0013","20.0627","0.001","13.1107","0.0006","90","","90","","90","","7066.1","0.6","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C36 H34 Co2 Ge N12 O42 W12 -","- C36 H30 Co2 Ge N12 O40 W12 -","- C144 H120 Co8 Ge4 N48 O160 W48 -","4","0.5","","Zhao, Chunyan; Li, Shaobin; Ma, Huiyuan; Zhang, Chunjing; Pang, Haijun; Yu, Yan; Zhang, Zhuanfang","The factors affecting the assembly of Keggin‒metal‒bimb systems: charge/polarity of Keggin polyanions and coordination modes of metal cations","CrystEngComm","2016","18","33","6233","","10.1039/C6CE00880A","","","0.71073","MoKα","","0.0907","0.0689","","","0.1701","0.1834","","","","","","1.066","","","","has coordinates","186363","2020-10-21","18:00:00",""
"7225722","26.78","0.005","19.963","0.005","12.98","0.005","90","0.005","90","0.005","90","0.005","6939","3","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C36 H34 B Co2 N12 O42 W12 -","- C36 H30 B Co2 N12 O41 W12 -","- C144 H120 B4 Co8 N48 O164 W48 -","4","0.5","","Zhao, Chunyan; Li, Shaobin; Ma, Huiyuan; Zhang, Chunjing; Pang, Haijun; Yu, Yan; Zhang, Zhuanfang","The factors affecting the assembly of Keggin‒metal‒bimb systems: charge/polarity of Keggin polyanions and coordination modes of metal cations","CrystEngComm","2016","18","33","6233","","10.1039/C6CE00880A","","","0.71069","MoKα","","0.0865","0.0555","","","0.1622","0.178","","","","","","1.161","","","","has coordinates","186363","2020-10-21","18:00:00",""
"7225723","26.548","0.005","20.076","0.005","12.964","0.005","90","0.005","90","0.005","90","0.005","6910","3","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C36 H38 Co2 N12 O42 W12 -","- C36 H30 Co2 N12 O40 W12 -","- C144 H120 Co8 N48 O160 W48 -","4","0.5","","Zhao, Chunyan; Li, Shaobin; Ma, Huiyuan; Zhang, Chunjing; Pang, Haijun; Yu, Yan; Zhang, Zhuanfang","The factors affecting the assembly of Keggin‒metal‒bimb systems: charge/polarity of Keggin polyanions and coordination modes of metal cations","CrystEngComm","2016","18","33","6233","","10.1039/C6CE00880A","","","0.71069","MoKα","","0.0804","0.0576","","","0.147","0.1613","","","","","","1.057","","","","has coordinates","186363","2020-10-21","18:00:00",""
"7225724","11.2301","0.0006","12.9434","0.0007","13.2453","0.0008","96.455","0.001","113.462","0.001","104.427","0.001","1661.18","0.16","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H34 B Cu N12 O42 W12 -","- C36 H30 B Cu N12 O40 W12 -","- C36 H30 B Cu N12 O40 W12 -","1","0.5","","Zhao, Chunyan; Li, Shaobin; Ma, Huiyuan; Zhang, Chunjing; Pang, Haijun; Yu, Yan; Zhang, Zhuanfang","The factors affecting the assembly of Keggin‒metal‒bimb systems: charge/polarity of Keggin polyanions and coordination modes of metal cations","CrystEngComm","2016","18","33","6233","","10.1039/C6CE00880A","","","0.71073","MoKα","","0.0828","0.0662","","","0.1455","0.1525","","","","","","1.161","","","","has coordinates","186363","2020-10-21","18:00:00",""
"7225725","26.664","0.005","20.022","0.005","12.937","0.005","90","0.005","90","0.005","90","0.005","6907","3","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C36 H41 Ag2 B N12 O42 W12 -","- C36 H30 Ag2 B N12 O41 W12 -","- C144 H120 Ag8 B4 N48 O164 W48 -","4","0.5","","Zhao, Chunyan; Li, Shaobin; Ma, Huiyuan; Zhang, Chunjing; Pang, Haijun; Yu, Yan; Zhang, Zhuanfang","The factors affecting the assembly of Keggin‒metal‒bimb systems: charge/polarity of Keggin polyanions and coordination modes of metal cations","CrystEngComm","2016","18","33","6233","","10.1039/C6CE00880A","","","0.71069","MoKα","","0.103","0.0702","","","0.176","0.1995","","","","","","0.834","","","","has coordinates","186363","2020-10-21","18:00:00",""
"7225726","25.994","0.0003","25.994","0.0003","25.994","0.0003","90","","90","","90","","17563.8","0.4","250","2","250","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C76.6 H78.2 N3 O13 Zn4 -","- C24 N3 O13 Zn4 -","- C192 N24 O104 Zn32 -","8","0.0416667","","Keenan, Luke L.; Hamzah, Harina Amer; Mahon, Mary F.; Warren, Mark R.; Burrows, Andrew D.","Secondary amine-functionalised metal‒organic frameworks: direct syntheses versus tandem post-synthetic modifications","CrystEngComm","2016","18","30","5710","","10.1039/C6CE01270A","","","0.6889","","","0.0733","0.055","","","0.1658","0.1969","","","","","","1.048","","","","has coordinates","185179","2020-10-21","18:00:00",""
"7225727","25.7627","0.0002","25.7627","0.0002","25.7627","0.0002","90","","90","","90","","17099.1","0.2","250","2","250","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C79 H83 N3 O13 Zn4 -","- C24 N3 O13 Zn4 -","- C192 N24 O104 Zn32 -","8","0.0416667","","Keenan, Luke L.; Hamzah, Harina Amer; Mahon, Mary F.; Warren, Mark R.; Burrows, Andrew D.","Secondary amine-functionalised metal‒organic frameworks: direct syntheses versus tandem post-synthetic modifications","CrystEngComm","2016","18","30","5710","","10.1039/C6CE01270A","","","0.6889","synchrotron","","0.0416","0.0365","","","0.108","0.1175","","","","","","1.155","","","","has coordinates","185179","2020-10-21","18:00:00",""
"7225728","25.77025","0.00014","25.77025","0.00014","25.77025","0.00014","90","","90","","90","","17114.2","0.16","250","2","250.15","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C77.1 H83.4 N3 O13 Zn4 -","- C27 N3 O13 Zn4 -","- C216 N24 O104 Zn32 -","8","0.0416667","","Keenan, Luke L.; Hamzah, Harina Amer; Mahon, Mary F.; Warren, Mark R.; Burrows, Andrew D.","Secondary amine-functionalised metal‒organic frameworks: direct syntheses versus tandem post-synthetic modifications","CrystEngComm","2016","18","30","5710","","10.1039/C6CE01270A","","","0.6889","synchrotron","","0.0421","0.0382","","","0.1323","0.137","","","","","","1.172","","","","has coordinates","185179","2020-10-21","18:00:00",""
"7225729","25.7752","0.0002","25.7752","0.0002","25.7752","0.0002","90","","90","","90","","17124","0.2","250","2","250","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C73.98 H77.4 N3 O13 Zn4 -","- C27 N3 O13 Zn4 -","- C216 N24 O104 Zn32 -","8","0.0416667","","Keenan, Luke L.; Hamzah, Harina Amer; Mahon, Mary F.; Warren, Mark R.; Burrows, Andrew D.","Secondary amine-functionalised metal‒organic frameworks: direct syntheses versus tandem post-synthetic modifications","CrystEngComm","2016","18","30","5710","","10.1039/C6CE01270A","","","0.6889","Synchrotron","","0.0545","0.0534","","","0.1958","0.1973","","","","","","1.109","","","","has coordinates","185179","2020-10-21","18:00:00",""
"7225730","25.8577","0.0002","25.8577","0.0002","25.8577","0.0002","90","","90","","90","","17289","0.2","250","2","250","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C78.1 H74.6 N3 O13 S1.95 Zn4 -","- C24 N3 O13 Zn4 -","- C192 N24 O104 Zn32 -","8","0.0416667","","Keenan, Luke L.; Hamzah, Harina Amer; Mahon, Mary F.; Warren, Mark R.; Burrows, Andrew D.","Secondary amine-functionalised metal‒organic frameworks: direct syntheses versus tandem post-synthetic modifications","CrystEngComm","2016","18","30","5710","","10.1039/C6CE01270A","","","0.6889","Synchrotron","","0.066","0.064","","","0.1951","0.2064","","","","","","1.227","","","","has coordinates","185179","2020-10-21","18:00:00",""
"7225731","10.886","0.002","10.237","0.002","11.376","0.002","90","","94.16","0.03","90","","1264.4","0.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C8 H18 B Br F4 N2 O -","- C8 H18 B Br F4 N2 O -","- C32 H72 B4 Br4 F16 N8 O4 -","4","1","","Han, Xiang-Bin; Xiao, Jing-Mei","Water motion-controlled reversible phase transition and de/absorption-controlled reversible phase transformation in the hydrate crystal (BEDABCO)ClO4·H2O and its analogs","CrystEngComm","2016","18","33","6195","","10.1039/C6CE00854B","","","0.71073","MoKα","","0.0984","0.0649","","","0.1464","0.1692","","","","","","0.967","","","","has coordinates","186365","2020-10-21","18:00:00",""
"7225732","10.919","0.002","10.331","0.002","11.33","0.002","90","","94.06","0.03","90","","1274.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H18 Cl2 N2 O5 -","- C8 H18 Cl2 N2 O5 -","- C32 H72 Cl8 N8 O20 -","4","1","","Han, Xiang-Bin; Xiao, Jing-Mei","Water motion-controlled reversible phase transition and de/absorption-controlled reversible phase transformation in the hydrate crystal (BEDABCO)ClO4·H2O and its analogs","CrystEngComm","2016","18","33","6195","","10.1039/C6CE00854B","","","0.71073","MoKα","","0.0569","0.0436","","","0.1037","0.1105","","","","","","1.055","","","","has coordinates","186365","2020-10-21","18:00:00",""
"7225733","11.018","0.002","10.388","0.002","11.406","0.002","90","","94.03","0.03","90","","1302.2","0.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C8 H16 Br Cl D2 N2 O5 -","- C8 H16 Br Cl D2 N2 O5 -","- C32 H64 Br4 Cl4 D8 N8 O20 -","4","1","","Han, Xiang-Bin; Xiao, Jing-Mei","Water motion-controlled reversible phase transition and de/absorption-controlled reversible phase transformation in the hydrate crystal (BEDABCO)ClO4·H2O and its analogs","CrystEngComm","2016","18","33","6195","","10.1039/C6CE00854B","","","0.71073","MoKα","","0.0634","0.046","","","0.1014","0.1094","","","","","","1.045","","","","has coordinates","186365","2020-10-21","18:00:00",""
"7225734","10.98","0.002","10.333","0.002","11.37","0.002","90","","93.92","0.03","90","","1287","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H18 Br Cl N2 O5 -","- C8 H18 Br Cl N2 O5 -","- C32 H72 Br4 Cl4 N8 O20 -","4","1","","Han, Xiang-Bin; Xiao, Jing-Mei","Water motion-controlled reversible phase transition and de/absorption-controlled reversible phase transformation in the hydrate crystal (BEDABCO)ClO4·H2O and its analogs","CrystEngComm","2016","18","33","6195","","10.1039/C6CE00854B","","","0.71073","MoKα","","0.0558","0.0427","","","0.0921","0.098","","","","","","1.088","","","","has coordinates","186365","2020-10-21","18:00:00",""
"7225735","11.055","0.006","10.452","0.006","11.388","0.006","90","","94.249","0.009","90","","1312.2","1.2","333","2","333","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H18 Br Cl N2 O5 -","- C8 H18 Br Cl N2 O5 -","- C32 H72 Br4 Cl4 N8 O20 -","4","1","","Han, Xiang-Bin; Xiao, Jing-Mei","Water motion-controlled reversible phase transition and de/absorption-controlled reversible phase transformation in the hydrate crystal (BEDABCO)ClO4·H2O and its analogs","CrystEngComm","2016","18","33","6195","","10.1039/C6CE00854B","","","0.71073","MoKα","","0.08","0.0521","","","0.0974","0.107","","","","","","1.11","","","","has coordinates","186365","2020-10-21","18:00:00",""
"7225736","11.067","0.002","10.483","0.002","11.404","0.002","90","","94.32","0.03","90","","1319.3","0.4","343","2","343","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H18 Br Cl N2 O5 -","- C8 H18 Br Cl N2 O5 -","- C32 H72 Br4 Cl4 N8 O20 -","4","1","","Han, Xiang-Bin; Xiao, Jing-Mei","Water motion-controlled reversible phase transition and de/absorption-controlled reversible phase transformation in the hydrate crystal (BEDABCO)ClO4·H2O and its analogs","CrystEngComm","2016","18","33","6195","","10.1039/C6CE00854B","","","0.71073","MoKα","","0.131","0.0576","","","0.1074","0.1336","","","","","","0.972","","","","has coordinates","186365","2020-10-21","18:00:00",""
"7225737","6.8562","0.0005","11.9649","0.0009","20.6362","0.001","78.951","0.005","88.87","0.005","76.106","0.006","1612.26","0.19","150","","150","","","","","","","","","4","P -1","-P 1","2","","bis(n-phenylurea) bis(5-nitroisophthalic acid) dihydrate","","- C15 H15 N3 O8 -","- C15 H15 N3 O8 -","- C60 H60 N12 O32 -","4","2","","Saunders, Lucy K.; Nowell, Harriott; Raithby, Paul R.; Wilson, Chick C.","Crystal engineering urea organic acid hydrogen bonded networks with solvent inclusion properties","CrystEngComm","2016","18","31","5916","","10.1039/C6CE00872K","","x-ray","1.54184","CuKα","","0.0975","0.0848","","","0.2353","0.2446","","","","","","1.087","","","","has coordinates","287892","2023-11-30","16:04:10",""
"7225738","7.7787","0.0001","18.8747","0.0002","13.0343","0.0001","90","","91.528","0.001","90","","1913.02","0.04","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","n-phenylurea 5-nitroisophthalic acid acetone solvate","","- C18 H19 N3 O8 -","- C18 H19 N3 O8 -","- C72 H76 N12 O32 -","4","1","","Saunders, Lucy K.; Nowell, Harriott; Raithby, Paul R.; Wilson, Chick C.","Crystal engineering urea organic acid hydrogen bonded networks with solvent inclusion properties","CrystEngComm","2016","18","31","5916","","10.1039/C6CE00872K","","x-ray","1.54184","CuKα","","0.0376","0.0345","","","0.0937","0.0969","","","","","","1.029","","","","has coordinates","185252","2020-10-21","18:00:00",""
"7225739","12.2579","0.0006","14.7289","0.0009","23.505","0.0014","94.49","0.005","91.215","0.004","90.291","0.004","4229.6","0.4","150","","150","","","","","","","","","4","P -1","-P 1","2","","Heptakis(n-phenylurea) tetrakis(5-nitroisophthalic acid) dimethanol solvate","","- C83 H84 N18 O33 -","- C83 H84 N18 O33 -","- C166 H168 N36 O66 -","2","1","","Saunders, Lucy K.; Nowell, Harriott; Raithby, Paul R.; Wilson, Chick C.","Crystal engineering urea organic acid hydrogen bonded networks with solvent inclusion properties","CrystEngComm","2016","18","31","5916","","10.1039/C6CE00872K","","x-ray","0.71073","MoKα","","0.1125","0.0553","","","0.1163","0.146","","","","","","1.015","","","","has coordinates","185252","2020-10-21","18:00:00",""
"7225740","6.9335","0.0003","12.4902","0.0007","25.4854","0.0013","89.062","0.005","83.694","0.004","74.923","0.003","2118.02","0.19","100","","100","","","","","","","","","4","P -1","-P 1","2","","tris(n-phenylurea) bis(5-nitroisophthalic acid) monohydrate ethanol solvate","","- C39 H42 N8 O17 -","- C39 H34 N8 O17 -","- C78 H68 N16 O34 -","2","1","","Saunders, Lucy K.; Nowell, Harriott; Raithby, Paul R.; Wilson, Chick C.","Crystal engineering urea organic acid hydrogen bonded networks with solvent inclusion properties","CrystEngComm","2016","18","31","5916","","10.1039/C6CE00872K","","","0.9538","synchrotron","","0.1972","0.1019","","","0.2761","0.3331","","","","","","1.005","","","","has coordinates","185252","2020-10-21","18:00:00",""
"7225741","10.0887","0.0005","12.3161","0.0005","17.3345","0.001","70.478","0.005","87.122","0.004","87.659","0.004","2026.83","0.19","150","0.14","150","","","","","","","","","4","P -1","-P 1","2","","tris(n-phenylurea) bis(5-nitroisophthalic acid) acetonitrile solvate","","- C39 H37 N9 O15 -","- C39 H37 N9 O15 -","- C78 H74 N18 O30 -","2","1","","Saunders, Lucy K.; Nowell, Harriott; Raithby, Paul R.; Wilson, Chick C.","Crystal engineering urea organic acid hydrogen bonded networks with solvent inclusion properties","CrystEngComm","2016","18","31","5916","","10.1039/C6CE00872K","","","1.54184","CuKα","","0.0526","0.0396","","","0.1018","0.1125","","","","","","1.041","","","","has coordinates","185252","2020-10-21","18:00:00",""
"7225742","12.3639","0.0007","13.0486","0.001","13.8208","0.001","71.686","0.007","89.156","0.005","87.439","0.005","2114.7","0.3","150","","150","","","","","","","","","4","P -1","-P 1","2","","'tris(n-phenylurea) bis(5-nitroisophthalic acid) acetone solvate hydrate","","- C40 H42 N8 O17 -","- C40 H42 N8 O17 -","- C80 H84 N16 O34 -","2","1","","Saunders, Lucy K.; Nowell, Harriott; Raithby, Paul R.; Wilson, Chick C.","Crystal engineering urea organic acid hydrogen bonded networks with solvent inclusion properties","CrystEngComm","2016","18","31","5916","","10.1039/C6CE00872K","","x-ray","0.71073","MoKα","","0.2373","0.0834","","","0.1392","0.2","","","","","","0.959","","","","has coordinates","185252","2020-10-21","18:00:00",""
"7225743","12.3606","0.0005","13.4644","0.0006","14.3535","0.0006","81.404","0.004","83.684","0.004","64.194","0.004","2123.72","0.17","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","tris(n-phenylurea) bis(5-nitroisophthalic acid) tetrahydrofuran solvate hydrate","","- C41 H44 N8 O17 -","- C41 H44 N8 O17 -","- C82 H88 N16 O34 -","2","1","","Saunders, Lucy K.; Nowell, Harriott; Raithby, Paul R.; Wilson, Chick C.","Crystal engineering urea organic acid hydrogen bonded networks with solvent inclusion properties","CrystEngComm","2016","18","31","5916","","10.1039/C6CE00872K","","x-ray","1.54184","CuKα","","0.0633","0.0509","","","0.1348","0.147","","","","","","1.034","","","","has coordinates","185252","2020-10-21","18:00:00",""
"7225744","9.8732","0.0004","10.997","0.0003","20.4449","0.0006","80.035","0.002","89.288","0.003","77.29","0.003","2131.99","0.12","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","Hepta(n-phenylurea) tetra(5-nitroisophthalic acid) ethyl acetate solvate","","- C41 H42 N8 O17 -","- C41 H42 N8 O17 -","- C82 H84 N16 O34 -","2","1","","Saunders, Lucy K.; Nowell, Harriott; Raithby, Paul R.; Wilson, Chick C.","Crystal engineering urea organic acid hydrogen bonded networks with solvent inclusion properties","CrystEngComm","2016","18","31","5916","","10.1039/C6CE00872K","","x-ray","1.54184","CuKα","","0.0687","0.0539","","","0.1404","0.1547","","","","","","1.008","","","","has coordinates","185252","2020-10-21","18:00:00",""
"7225745","9.9483","0.0008","9.9564","0.0008","10.6641","0.0007","66.488","0.007","75.79","0.007","71.335","0.007","909.16","0.13","150","0.14","150","0.14","","","","","","","","4","P -1","-P 1","2","","bis(n-phenylurea) bis(5-nitroisophthalic acid) tetrahydrofuran methanol solvate","","- C18 H21 N3 O8.5 -","- C19 H13 N3 O7.5 -","- C38 H26 N6 O15 -","2","1","","Saunders, Lucy K.; Nowell, Harriott; Raithby, Paul R.; Wilson, Chick C.","Crystal engineering urea organic acid hydrogen bonded networks with solvent inclusion properties","CrystEngComm","2016","18","31","5916","","10.1039/C6CE00872K","","x-ray","1.54184","CuKα","","0.0721","0.0642","","","0.1914","0.204","","","","","","1.081","","","","has coordinates","185252","2020-10-21","18:00:00",""
"7225746","8.9131","0.0007","9.7105","0.0008","13.3778","0.0011","71.44","0.007","78.479","0.007","83.019","0.007","1073.43","0.16","150","","150","","","","","","","","","4","P -1","-P 1","2","","bis(n-phenylurea) 5-nitroisophthalic acid","","- C22 H21 N5 O8 -","- C22 H21 N5 O8 -","- C44 H42 N10 O16 -","2","1","","Saunders, Lucy K.; Nowell, Harriott; Raithby, Paul R.; Wilson, Chick C.","Crystal engineering urea organic acid hydrogen bonded networks with solvent inclusion properties","CrystEngComm","2016","18","31","5916","","10.1039/C6CE00872K","","x-ray","0.71073","MoKα","","0.093","0.052","","","0.0933","0.1101","","","","","","1.023","","","","has coordinates","185252","2020-10-21","18:00:00",""
"7225747","15.1254","0.0003","12.7462","0.0002","16.2905","0.0004","90","","107.286","0.003","90","","2998.81","0.12","150","0.14","150","0.14","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","bis(n-phenylurea) bis(5-nitroisophthalic acid)","","- C15 H13 N3 O7 -","- C15 H13 N3 O7 -","- C120 H104 N24 O56 -","8","2","","Saunders, Lucy K.; Nowell, Harriott; Raithby, Paul R.; Wilson, Chick C.","Crystal engineering urea organic acid hydrogen bonded networks with solvent inclusion properties","CrystEngComm","2016","18","31","5916","","10.1039/C6CE00872K","","x-ray","1.54184","CuKα","","0.0659","0.0526","","","0.1358","0.1426","","","","","","1.123","","","","has coordinates","185252","2020-10-21","18:00:00",""
"7225786","12.6235","0.0002","16.225","0.0004","18.622","0.0004","90.7497","0.0018","103.79","0.0018","102.411","0.0017","3609.26","0.14","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C67 H68 Cl8 I2 N4 O10 -","- C67 H68 Cl8 I2 N4 O10 -","- C134 H136 Cl16 I4 N8 O20 -","2","1","","Eichstaedt, K.; Wicher, B.; Gdaniec, M.; Połoński, T.","Halogen bonded polypseudorotaxanes based on a pillar[5]arene host","CrystEngComm","2016","18","31","5807","","10.1039/C6CE01416J","","","1.54184","CuKα","","0.0643","0.0544","","","0.1408","0.1513","","","","","","1.059","","","","has coordinates,has disorder","185249","2020-10-21","18:00:00",""
"7225787","11.6992","0.0001","14.9802","0.0002","20.2256","0.0003","72.161","0.001","83.489","0.001","73.806","0.001","3238.85","0.07","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C139 H152 I4 N8 O20 -","- C139 H152 I4 N8 O20 -","- C139 H152 I4 N8 O20 -","1","0.5","","Eichstaedt, K.; Wicher, B.; Gdaniec, M.; Połoński, T.","Halogen bonded polypseudorotaxanes based on a pillar[5]arene host","CrystEngComm","2016","18","31","5807","","10.1039/C6CE01416J","","","1.54184","CuKα","","0.0362","0.0359","","","0.0987","0.0991","","","","","","1.041","","","","has coordinates,has disorder","185249","2020-10-21","18:00:00",""
"7225788","20.04603","0.00013","23.88917","0.00014","14.22073","0.0001","90","","90","","90","","6810.07","0.08","130","2","130","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C67 H68 F8 I4 N4 O12 -","- C67 H66 F8 I4 N4 O12 -","- C268 H264 F32 I16 N16 O48 -","4","0.5","","Eichstaedt, K.; Wicher, B.; Gdaniec, M.; Połoński, T.","Halogen bonded polypseudorotaxanes based on a pillar[5]arene host","CrystEngComm","2016","18","31","5807","","10.1039/C6CE01416J","","","1.54184","CuKα","","0.0471","0.046","","","0.1036","0.1041","","","","","","1.178","","","","has coordinates","185249","2020-10-21","18:00:00",""
"7225789","13.058","0.003","17.418","0.004","20.041","0.004","90","","108.21","0.03","90","","4329.9","1.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38.5 H48.5 Co N9.5 O7.5 -","- C35.5 H41.5 Co N8.5 O6.5 -","- C142 H166 Co4 N34 O26 -","4","1","","Hall, Gregory S.; Angeles, Melissa J.; Hicks, Jamie; Turner, David R.","Centric and acentric networks using low-symmetry heterotopic carboxylate/pyridyl ligands","CrystEngComm","2016","18","35","6614","","10.1039/C6CE01000H","","","0.7109","synchrotron","","0.1076","0.0887","","","0.2908","0.3118","","","","","","1.246","","","","has coordinates,has disorder","186346","2020-10-21","18:00:00",""
"7225790","10.156","0.002","11.554","0.002","15.972","0.003","83.61","0.03","88.74","0.03","71.26","0.03","1763.6","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H38 Cd N8 O6 -","- C34 H38 Cd N8 O6 -","- C68 H76 Cd2 N16 O12 -","2","1","","Hall, Gregory S.; Angeles, Melissa J.; Hicks, Jamie; Turner, David R.","Centric and acentric networks using low-symmetry heterotopic carboxylate/pyridyl ligands","CrystEngComm","2016","18","35","6614","","10.1039/C6CE01000H","","","0.7109","synchrotron","","0.0385","0.0342","","","0.0821","0.0841","","","","","","1.098","","","","has coordinates,has disorder","186346","2020-10-21","18:00:00",""
"7225791","10.0203","0.0004","11.3836","0.0004","15.9371","0.0005","82.852","0.001","87.396","0.001","72.518","0.001","1720.39","0.11","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H38 N8 O6 Zn -","- C34 H38 N8 O6 Zn -","- C68 H76 N16 O12 Zn2 -","2","1","","Hall, Gregory S.; Angeles, Melissa J.; Hicks, Jamie; Turner, David R.","Centric and acentric networks using low-symmetry heterotopic carboxylate/pyridyl ligands","CrystEngComm","2016","18","35","6614","","10.1039/C6CE01000H","","","0.71073","MoKα","","0.0545","0.0398","","","0.0911","0.0973","","","","","","1.061","","","","has coordinates,has disorder","186346","2020-10-21","18:00:00",""
"7225792","16.7033","0.0017","9.3648","0.0009","19.686","0.003","90","","108.139","0.005","90","","2926.3","0.6","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H31 Cu N7 O5 -","- C31 H31 Cu N7 O5 -","- C124 H124 Cu4 N28 O20 -","4","0.5","","Hall, Gregory S.; Angeles, Melissa J.; Hicks, Jamie; Turner, David R.","Centric and acentric networks using low-symmetry heterotopic carboxylate/pyridyl ligands","CrystEngComm","2016","18","35","6614","","10.1039/C6CE01000H","","","0.71073","MoKα","","0.1287","0.0584","","","0.1153","0.1459","","","","","","0.961","","","","has coordinates,has disorder","186346","2020-10-21","18:00:00",""
"7225793","7.965","0.0016","8.04","0.0016","20.311","0.004","81.56","0.03","85.94","0.03","86.61","0.03","1281.8","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H26 N6 O5 Zn -","- C28 H26 N6 O5 Zn -","- C56 H52 N12 O10 Zn2 -","2","1","","Hall, Gregory S.; Angeles, Melissa J.; Hicks, Jamie; Turner, David R.","Centric and acentric networks using low-symmetry heterotopic carboxylate/pyridyl ligands","CrystEngComm","2016","18","35","6614","","10.1039/C6CE01000H","","","0.7109","synchrotron","","0.0916","0.0557","","","0.1239","0.1489","","","","","","1.043","","","","has coordinates","186346","2020-10-21","18:00:00",""
"7225794","12.344","0.0017","12.344","0.0017","17.575","0.004","90","","90","","90","","2678","0.8","100","2","100","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C28 H27 N6 O5.5 Zn -","- C28 H24 N6 O4 Zn -","- C112 H96 N24 O16 Zn4 -","4","0.5","","Hall, Gregory S.; Angeles, Melissa J.; Hicks, Jamie; Turner, David R.","Centric and acentric networks using low-symmetry heterotopic carboxylate/pyridyl ligands","CrystEngComm","2016","18","35","6614","","10.1039/C6CE01000H","","","0.7108","synchrotron","","0.0364","0.0362","","","0.1185","0.1189","","","","","","1.157","","","","has coordinates","186346","2020-10-21","18:00:00",""
"7225795","12.469","0.0018","12.469","0.0018","17.439","0.003","90","","90","","90","","2711.3","0.7","100","2","100","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C28 H27 Cd N6 O5.5 -","- C28 H24 Cd N6 O4 -","- C112 H96 Cd4 N24 O16 -","4","0.5","","Hall, Gregory S.; Angeles, Melissa J.; Hicks, Jamie; Turner, David R.","Centric and acentric networks using low-symmetry heterotopic carboxylate/pyridyl ligands","CrystEngComm","2016","18","35","6614","","10.1039/C6CE01000H","","","0.7108","synchrotron","","0.0274","0.027","","","0.0661","0.0663","","","","","","1.127","","","","has coordinates","186346","2020-10-21","18:00:00",""
"7225796","14.792","0.002","14.792","0.002","18.957","0.004","90","","90","","120","","3592.1","1","100","2","100","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C28 H38 N6 Ni O11 -","- C28 H24 N6 Ni O4 -","- C84 H72 N18 Ni3 O12 -","3","0.5","","Hall, Gregory S.; Angeles, Melissa J.; Hicks, Jamie; Turner, David R.","Centric and acentric networks using low-symmetry heterotopic carboxylate/pyridyl ligands","CrystEngComm","2016","18","35","6614","","10.1039/C6CE01000H","","","0.7109","synchrotron","","0.0279","0.0271","","","0.0757","0.0762","","","","","","1.042","","","","has coordinates","186346","2020-10-21","18:00:00",""
"7225797","14.78","0.002","14.78","0.002","19.179","0.004","90","","90","","120","","3628.3","1","100","2","100","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C28 H56 Co N6 O20 -","- C28 H24 Co N6 O4 -","- C84 H72 Co3 N18 O12 -","3","0.5","","Hall, Gregory S.; Angeles, Melissa J.; Hicks, Jamie; Turner, David R.","Centric and acentric networks using low-symmetry heterotopic carboxylate/pyridyl ligands","CrystEngComm","2016","18","35","6614","","10.1039/C6CE01000H","","","0.7108","synchrotron","","0.0747","0.0379","","","0.0807","0.0922","","","","","","0.92","","","","has coordinates","186346","2020-10-21","18:00:00",""
"7225798","9.484","0.0019","14.148","0.003","9.994","0.002","90","","109.45","0.03","90","","1264.5","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 N3 O2 -","- C14 H13 N3 O2 -","- C56 H52 N12 O8 -","4","1","","Hall, Gregory S.; Angeles, Melissa J.; Hicks, Jamie; Turner, David R.","Centric and acentric networks using low-symmetry heterotopic carboxylate/pyridyl ligands","CrystEngComm","2016","18","35","6614","","10.1039/C6CE01000H","","","0.71073","synchrotron","","0.072","0.0627","","","0.164","0.1734","","","","","","1.026","","","","has coordinates","186346","2020-10-21","18:00:00",""
"7225799","9.801","0.002","13.736","0.003","14.268","0.003","79.99","0.03","80.75","0.03","85","0.03","1863.5","0.7","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C14 H13 N3 O2 -","- C14 H13 N3 O2 -","- C84 H78 N18 O12 -","6","6","","Hall, Gregory S.; Angeles, Melissa J.; Hicks, Jamie; Turner, David R.","Centric and acentric networks using low-symmetry heterotopic carboxylate/pyridyl ligands","CrystEngComm","2016","18","35","6614","","10.1039/C6CE01000H","","","0.7109","synchrotron","","0.0618","0.0583","","","0.159","0.1629","","","","","","1.061","","","","has coordinates","186346","2020-10-21","18:00:00",""
"7225800","9.875","0.002","9.422","0.0019","18.577","0.004","90","","104.92","0.03","90","","1670.2","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H20 N4 O3 -","- C17 H20 N4 O3 -","- C68 H80 N16 O12 -","4","1","","Hall, Gregory S.; Angeles, Melissa J.; Hicks, Jamie; Turner, David R.","Centric and acentric networks using low-symmetry heterotopic carboxylate/pyridyl ligands","CrystEngComm","2016","18","35","6614","","10.1039/C6CE01000H","","","0.7108","Synchrotron","","0.0581","0.0489","","","0.1342","0.1409","","","","","","1.033","","","","has coordinates","186346","2020-10-21","18:00:00",""
"7225801","13.152","0.003","8.441","0.0017","11.502","0.002","90","","90","","90","","1276.9","0.4","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H13 N3 O2 -","- C14 H13 N3 O2 -","- C56 H52 N12 O8 -","4","1","","Hall, Gregory S.; Angeles, Melissa J.; Hicks, Jamie; Turner, David R.","Centric and acentric networks using low-symmetry heterotopic carboxylate/pyridyl ligands","CrystEngComm","2016","18","35","6614","","10.1039/C6CE01000H","","","0.7109","synchrotron","","0.0433","0.0411","","","0.1059","0.1133","","","","","","1.069","","","","has coordinates","186346","2020-10-21","18:00:00",""
"7225804","35.1044","0.0007","35.1044","0.0007","11.7352","0.0004","90","","90","","90","","14461.5","0.6","293","2","293","2","","","","","","","","7","I 41/a","-I 4ad","88","","","","- C40 H32 Cu4 N24 O40 Si W12 -","- C40 H32 Cu4 N24 O40 Si W12 -","- C320 H256 Cu32 N192 O320 Si8 W96 -","8","","","Chen, Yan-Mei; Yu, Ying-Hui; Zhang, Han-Zhong; Hou, Guang-Feng; Gao, Jin-Sheng; Yan, Peng-Fei","Ligand-induced isomerization: from 3D to 2D→3D POMOFs constructed from silicotungstate anions, Cu(i) and 1,n-di(4H-1,2,4-triazol-4-yl)benzene (n = 3, 4) ligands","CrystEngComm","2016","18","34","6389","","10.1039/C6CE01174H","","","0.71073","MoKα","","0.1001","0.0665","","","0.1414","0.1608","","","","","","1.003","","","","has coordinates","186354","2020-10-21","18:00:00",""
"7225805","12.482","0.003","14.603","0.003","21.09","0.004","97.12","0.03","97.82","0.03","105.37","0.03","3620.3","1.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H32 Cu4 N24 O40 Si W12 -","- C40 H32 Cu4 N24 O40 Si W12 -","- C80 H64 Cu8 N48 O80 Si2 W24 -","2","1","","Chen, Yan-Mei; Yu, Ying-Hui; Zhang, Han-Zhong; Hou, Guang-Feng; Gao, Jin-Sheng; Yan, Peng-Fei","Ligand-induced isomerization: from 3D to 2D→3D POMOFs constructed from silicotungstate anions, Cu(i) and 1,n-di(4H-1,2,4-triazol-4-yl)benzene (n = 3, 4) ligands","CrystEngComm","2016","18","34","6389","","10.1039/C6CE01174H","","","0.71073","MoKα","","0.0845","0.0571","","","0.1172","0.129","","","","","","1.029","","","","has coordinates","186354","2020-10-21","18:00:00",""
"7225806","13.433","0.002","9.4245","0.0014","17.988","0.003","90","","94.098","0.002","90","","2271.4","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H15 Ag3 N2 O7 -","- C25 H15 Ag3 N2 O7 -","- C100 H60 Ag12 N8 O28 -","4","1","","Song, Yang; Fan, Ruiqing; Du, Xi; Xing, Kai; Wang, Ping; Dong, Yuwei; Yang, Yulin","Effect of noncovalent interactions on Ag(i)/Cu(ii) supramolecular architecture for dual-functional luminescence and semiconductive properties","CrystEngComm","2016","18","34","6411","","10.1039/C6CE01106C","","","0.71073","MoKα","","0.0344","0.0283","","","0.0687","0.0714","","","","","","1.041","","","","has coordinates","186355","2020-10-21","18:00:00",""
"7225807","7.9925","0.0005","11.0074","0.0007","13.5766","0.0009","73.142","0.002","73.262","0.002","71.833","0.002","1060.17","0.12","171","2","171","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H17 Ag N2 O7 -","- C25 H17 Ag N2 O7 -","- C50 H34 Ag2 N4 O14 -","2","1","","Song, Yang; Fan, Ruiqing; Du, Xi; Xing, Kai; Wang, Ping; Dong, Yuwei; Yang, Yulin","Effect of noncovalent interactions on Ag(i)/Cu(ii) supramolecular architecture for dual-functional luminescence and semiconductive properties","CrystEngComm","2016","18","34","6411","","10.1039/C6CE01106C","","","0.71073","MoKα","","0.075","0.049","","","0.1306","0.1481","","","","","","1.001","","","","has coordinates","186355","2020-10-21","18:00:00",""
"7225808","10.0949","0.0007","24.2027","0.0015","10.3445","0.0008","90","","97.76","0.003","90","","2504.3","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 Cu I0 N4 O9 -","- C27 H22 Cu N4 O9 -","- C108 H88 Cu4 N16 O36 -","4","1","","Song, Yang; Fan, Ruiqing; Du, Xi; Xing, Kai; Wang, Ping; Dong, Yuwei; Yang, Yulin","Effect of noncovalent interactions on Ag(i)/Cu(ii) supramolecular architecture for dual-functional luminescence and semiconductive properties","CrystEngComm","2016","18","34","6411","","10.1039/C6CE01106C","","","0.71073","MoKα","","0.0949","0.0512","","","0.1283","0.1528","","","","","","0.941","","","","has coordinates","186355","2020-10-21","18:00:00",""
"7225809","9.766","0.009","14.061","0.013","23.12","0.02","82.775","0.012","80.273","0.011","72.37","0.012","2973","5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H51 Ag3 N12 O16 -","- C66 H51 Ag3 N12 O16 -","- C132 H102 Ag6 N24 O32 -","2","1","","Song, Yang; Fan, Ruiqing; Du, Xi; Xing, Kai; Wang, Ping; Dong, Yuwei; Yang, Yulin","Effect of noncovalent interactions on Ag(i)/Cu(ii) supramolecular architecture for dual-functional luminescence and semiconductive properties","CrystEngComm","2016","18","34","6411","","10.1039/C6CE01106C","","","0.71073","MoKα","","0.0768","0.0577","","","0.1183","0.1433","","","","","","1.004","","","","has coordinates","186355","2020-10-21","18:00:00",""
"7225810","14.952","0.002","14.952","0.002","9.0826","0.0018","90","","90","","90","","2030.5","0.6","293","2","293","2","","","","","","","","5","P -4","P -4","81","C28 H41.70 N12.40 O18.45 Zn4","","","- C28 H41.7 N12.4 O18.45 Zn4 -","- C28 H31.2 N12.4 O18.45 Zn4 -","- C56 H62.4 N24.8 O36.9 Zn8 -","2","0.5","","Xiao, Yu; Wang, Shuai-Hua; Xu, Jian-Gang; Sun, Cai; Li, Rong; Zhao, Ya-Ping; Yan, Yong; Zheng, Fa-Kun; Guo, Guo-Cong","An enhanced extended hook method to realize tetranuclear metal clusters embedded in energetic metal‒organic framework channels","CrystEngComm","2016","18","31","5803","","10.1039/C6CE00892E","","","0.71073","MoKα","","0.0421","0.0393","","","0.1022","0.1033","","","","","","1.007","","","","has coordinates,has disorder","185254","2020-10-21","18:00:00",""
"7225811","15.8769","0.0005","23.5103","0.0008","23.1577","0.0008","90","","101.226","0.002","90","","8478.7","0.5","193","2","193","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C168 H241 Ho4 N27 O59 P6 -","- C86 H48 Ho4 N6 O39 P6 -","- C172 H96 Ho8 N12 O78 P12 -","2","1","","Ling, Yajing; Jiao, Jingjing; Zhang, Mingxing; Liu, Huimin; Bai, Dongjie; Feng, Yunlong; He, Yabing","A porous lanthanide metal‒organic framework based on a flexible cyclotriphosphazene-functionalized hexacarboxylate exhibiting selective gas adsorption","CrystEngComm","2016","18","33","6254","","10.1039/C6CE00497K","","","0.71073","MoKα","","0.0614","0.0561","","","0.1462","0.1525","","","","","","1.006","","","","has coordinates","186369","2020-10-21","18:00:00",""
"7225812","8.898","0.0018","9.247","0.0018","14.663","0.003","93.17","0.03","98.79","0.03","114.16","0.03","1078.5","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H24 Cl N O Si -","- C24 H24 Cl N O Si -","- C48 H48 Cl2 N2 O2 Si2 -","2","1","","Batisai, Eustina; Su, Hong; Nassimbeni, Luigi R.","Synergism in host‒guest selectivity of picolinium chlorides by triphenylsilanol and triphenylmethanol","CrystEngComm","2016","18","31","5952","","10.1039/C6CE01233G","","","0.71073","MoKα","","0.0816","0.0561","","","0.1456","0.164","","","","","","1.057","","","","has coordinates,has disorder","185255","2020-10-21","18:00:00",""
"7225813","8.8297","0.0018","9.1147","0.0018","14.282","0.003","91.02","0.03","99.85","0.03","115.48","0.03","1016.9","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H24 Cl N O -","- C25 H24 Cl N O -","- C50 H48 Cl2 N2 O2 -","2","1","","Batisai, Eustina; Su, Hong; Nassimbeni, Luigi R.","Synergism in host‒guest selectivity of picolinium chlorides by triphenylsilanol and triphenylmethanol","CrystEngComm","2016","18","31","5952","","10.1039/C6CE01233G","","","0.71073","MoKα","","0.0596","0.0384","","","0.0934","0.1058","","","","","","1.008","","","","has coordinates","185255","2020-10-21","18:00:00",""
"7225814","10.008","0.002","14.177","0.003","14.937","0.003","64.62","0.03","72.74","0.03","77.69","0.03","1819.4","0.8","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H40 Cl N O2 Si2 -","- C42 H40 Cl N O2 Si2 -","- C84 H80 Cl2 N2 O4 Si4 -","2","1","","Batisai, Eustina; Su, Hong; Nassimbeni, Luigi R.","Synergism in host‒guest selectivity of picolinium chlorides by triphenylsilanol and triphenylmethanol","CrystEngComm","2016","18","31","5952","","10.1039/C6CE01233G","","","0.71073","MoKα","","0.1022","0.0516","","","0.1099","0.1314","","","","","","1.006","","","","has coordinates,has disorder","185255","2020-10-21","18:00:00",""
"7225815","8.5764","0.0017","8.9494","0.0018","15.567","0.003","89.44","0.03","85.34","0.03","63.17","0.03","1062.2","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H26 Cl N O2 -","- C25 H26 Cl N O2 -","- C50 H52 Cl2 N2 O4 -","2","1","","Batisai, Eustina; Su, Hong; Nassimbeni, Luigi R.","Synergism in host‒guest selectivity of picolinium chlorides by triphenylsilanol and triphenylmethanol","CrystEngComm","2016","18","31","5952","","10.1039/C6CE01233G","","","0.71073","MoKα","","0.0563","0.0424","","","0.1048","0.1132","","","","","","1.022","","","","has coordinates","185255","2020-10-21","18:00:00",""
"7225816","8.761","0.0018","9.6081","0.0019","23.756","0.005","91.94","0.03","93.39","0.03","113.9","0.03","1821.4","0.8","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H40 Cl N O2 Si2 -","- C42 H40 Cl N O2 Si2 -","- C84 H80 Cl2 N2 O4 Si4 -","2","1","","Batisai, Eustina; Su, Hong; Nassimbeni, Luigi R.","Synergism in host‒guest selectivity of picolinium chlorides by triphenylsilanol and triphenylmethanol","CrystEngComm","2016","18","31","5952","","10.1039/C6CE01233G","","","0.71073","MoKα","","0.0695","0.0531","","","0.141","0.1541","","","","","","1.039","","","","has coordinates,has disorder","185255","2020-10-21","18:00:00",""
"7225817","14.078","0.003","9.2242","0.0018","16.232","0.003","90","","96.74","0.03","90","","2093.3","0.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 Cl N O -","- C25 H24 Cl N O -","- C100 H96 Cl4 N4 O4 -","4","1","","Batisai, Eustina; Su, Hong; Nassimbeni, Luigi R.","Synergism in host‒guest selectivity of picolinium chlorides by triphenylsilanol and triphenylmethanol","CrystEngComm","2016","18","31","5952","","10.1039/C6CE01233G","","","0.71073","MoKα","","0.0665","0.0403","","","0.0907","0.1047","","","","","","1.028","","","","has coordinates","185255","2020-10-21","18:00:00",""
"7225818","8.8493","0.0018","9.1507","0.0018","14.38","0.003","91.4","0.03","99.68","0.03","115.03","0.03","1034.1","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C24.73 H24 Cl N O Si0.27 -","- C24.729 H24 Cl N O Si0.271 -","- C49.458 H48 Cl2 N2 O2 Si0.542 -","2","1","","Batisai, Eustina; Su, Hong; Nassimbeni, Luigi R.","Synergism in host‒guest selectivity of picolinium chlorides by triphenylsilanol and triphenylmethanol","CrystEngComm","2016","18","31","5952","","10.1039/C6CE01233G","","","0.71073","MoKα","","0.0722","0.0588","","","0.1435","0.1527","","","","","","1.042","","","","has coordinates,has disorder","185255","2020-10-21","18:00:00",""
"7225819","8.8549","0.0018","9.148","0.0018","14.37","0.003","91.44","0.03","99.75","0.03","115.05","0.03","1033.2","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C24.76 H24 Cl N O Si0.24 -","- C24.756 H24 Cl N O Si0.244 -","- C49.512 H48 Cl2 N2 O2 Si0.488 -","2","1","","Batisai, Eustina; Su, Hong; Nassimbeni, Luigi R.","Synergism in host‒guest selectivity of picolinium chlorides by triphenylsilanol and triphenylmethanol","CrystEngComm","2016","18","31","5952","","10.1039/C6CE01233G","","","0.71073","MoKα","","0.0845","0.0646","","","0.146","0.1585","","","","","","1.042","","","","has coordinates,has disorder","185255","2020-10-21","18:00:00",""
"7225820","26.284","0.003","26.284","0.003","12.9228","0.0015","90","","90","","90","","8927.7","1.8","150","2","150","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C62 H88 Cl4 Fe4 N16 O24 -","- C62 H88 Cl4 Fe4 N16 O24 -","- C248 H352 Cl16 Fe16 N64 O96 -","4","","","Pan, Jia-li; Guo, Qian; Yang, Bing; Li, Yu-yi; Cao, Jin-ge; Meng, Xiang-gao; Xiao, Feng-ping","Tetra-Fe(iii) and deca-Mn(iii) metallacrowns built from bis-salicylhydrazide ligands: synthesis, structures and magnetic properties","CrystEngComm","2016","18","33","6143","","10.1039/C6CE01100D","","","0.71073","MoKα","","0.0834","0.0607","","","0.1735","0.2001","","","","","","1.007","","","","has coordinates","186368","2020-10-21","18:00:00",""
"7225821","26.292","0.005","26.292","0.005","12.959","0.002","90","","90","","90","","8958","3","150","2","150","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C62 H88 Br4 Fe4 N16 O24 -","- C62 H88 Br4 Fe4 N16 O24 -","- C248 H352 Br16 Fe16 N64 O96 -","4","","","Pan, Jia-li; Guo, Qian; Yang, Bing; Li, Yu-yi; Cao, Jin-ge; Meng, Xiang-gao; Xiao, Feng-ping","Tetra-Fe(iii) and deca-Mn(iii) metallacrowns built from bis-salicylhydrazide ligands: synthesis, structures and magnetic properties","CrystEngComm","2016","18","33","6143","","10.1039/C6CE01100D","","","0.71073","MoKα","","0.1033","0.0577","","","0.1471","0.1761","","","","","","1.011","","","","has coordinates,has disorder","186368","2020-10-21","18:00:00",""
"7225822","20.032","0.003","21.9","0.003","27.421","0.004","113.261","0.002","92.344","0.003","96.129","0.002","10943","3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C117 H106 Cl10 Mn10 N26 O38 -","- C117 H106 Cl10 Mn10 N26 O38 -","- C234 H212 Cl20 Mn20 N52 O76 -","2","1","","Pan, Jia-li; Guo, Qian; Yang, Bing; Li, Yu-yi; Cao, Jin-ge; Meng, Xiang-gao; Xiao, Feng-ping","Tetra-Fe(iii) and deca-Mn(iii) metallacrowns built from bis-salicylhydrazide ligands: synthesis, structures and magnetic properties","CrystEngComm","2016","18","33","6143","","10.1039/C6CE01100D","","","0.71073","MoKα","","0.1432","0.0706","","","0.1595","0.1714","","","","","","0.986","","","","has coordinates","186368","2020-10-21","18:00:00",""
"7225823","20.239","0.009","21.285","0.009","26.335","0.011","113.598","0.006","91.571","0.007","95.727","0.006","10316","8","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C117 H106 Br10 Mn10 N26 O38 -","- C117 H106 Br10 Mn10 N26 O38 -","- C234 H212 Br20 Mn20 N52 O76 -","2","1","","Pan, Jia-li; Guo, Qian; Yang, Bing; Li, Yu-yi; Cao, Jin-ge; Meng, Xiang-gao; Xiao, Feng-ping","Tetra-Fe(iii) and deca-Mn(iii) metallacrowns built from bis-salicylhydrazide ligands: synthesis, structures and magnetic properties","CrystEngComm","2016","18","33","6143","","10.1039/C6CE01100D","","","0.71073","MoKα","","0.1638","0.0989","","","0.2351","0.2597","","","","","","1.133","","","","has coordinates","186368","2020-10-21","18:00:00",""
"7225824","6.9562","0.0003","19.7321","0.0008","13.4459","0.0006","90","","93.4175","0.0013","90","","1842.31","0.14","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H10 N3 O5.5 S -","- C6 H10 N3 O5.5 S -","- C48 H80 N24 O44 S8 -","8","2","","de Melo, Cristiane C.; de Sousa Carvalho, Paulo; Diniz, Luan F.; D'Vries, Richard F.; Ayala, Alejandro P.; Ellena, Javier","Supramolecular synthesis and thermochemical investigations of pharmaceutical inorganic isoniazid salts","CrystEngComm","2016","18","34","6378","","10.1039/C6CE00969G","","","0.71073","MoKα","","0.046","0.0366","","","0.0929","0.0986","","","","","","1.0594","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7225825","6.6307","0.0004","16.328","0.0013","7.4836","0.0005","90","","92.183","0.007","90","","809.63","0.1","290","2","290","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 Br N3 O -","- C6 H8 Br N3 O -","- C24 H32 Br4 N12 O4 -","4","1","","de Melo, Cristiane C.; de Sousa Carvalho, Paulo; Diniz, Luan F.; D'Vries, Richard F.; Ayala, Alejandro P.; Ellena, Javier","Supramolecular synthesis and thermochemical investigations of pharmaceutical inorganic isoniazid salts","CrystEngComm","2016","18","34","6378","","10.1039/C6CE00969G","","x-ray","0.71073","MoKα","","0.086","0.0448","","","0.1056","0.125","","","","","","0.979","","","","has coordinates","186359","2020-10-21","18:00:00",""
"7225826","6.363","0.0013","15.97","0.006","8.043","0.002","90","","92.151","0.016","90","","816.7","0.4","290","2","290","2","","","","","","","synthesis as described","4","C 1 c 1","C -2yc","9","","","","- C6 H8 N4 O4 -","- C6 H8 N4 O4 -","- C24 H32 N16 O16 -","4","1","","de Melo, Cristiane C.; de Sousa Carvalho, Paulo; Diniz, Luan F.; D'Vries, Richard F.; Ayala, Alejandro P.; Ellena, Javier","Supramolecular synthesis and thermochemical investigations of pharmaceutical inorganic isoniazid salts","CrystEngComm","2016","18","34","6378","","10.1039/C6CE00969G","","x-ray","0.71073","MoKα","","0.0636","0.0495","","","0.1261","0.1374","","","","","","1.055","","","","has coordinates","186359","2020-10-21","18:00:00",""
"7225827","7.3259","0.0002","6.3982","0.0002","19.5779","0.0007","90","","98.246","0.001","90","","908.18","0.05","290","2","290","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H9 N3 O5 S -","- C6 H9 N3 O5 S -","- C24 H36 N12 O20 S4 -","4","1","","de Melo, Cristiane C.; de Sousa Carvalho, Paulo; Diniz, Luan F.; D'Vries, Richard F.; Ayala, Alejandro P.; Ellena, Javier","Supramolecular synthesis and thermochemical investigations of pharmaceutical inorganic isoniazid salts","CrystEngComm","2016","18","34","6378","","10.1039/C6CE00969G","","x-ray","0.71073","MoKα","","0.0636","0.0463","","","0.1206","0.1291","","","","","","1.052","","","","has coordinates","186359","2020-10-21","18:00:00",""
"7225837","8.0806","0.0007","16.0141","0.0013","3.5431","0.0003","90","","101.206","0.001","90","","449.75","0.07","296","2","296","2","","","","","","","","5","C 1 m 1","C -2y","8","La0.096Y0.904Ca4O(BO3)3","La0.096Y0.904COB","","- B6 Ca8 La0.18 O20 Y1.81 -","- B6 Ca7.998 La0.176 O20 Y1.812 -","- B6 Ca7.998 La0.176 O20 Y1.812 -","1","0.25","","Qi, Hongwei; Wang, Fang; Chai, Xiangxu; Wang, Zhengping; Yu, Fapeng; Liu, Yanqing; Zhao, Xian; Xu, Xinguang","Growth and non-critical phase-matching frequency conversion properties of LaxY1−xCOB crystals","CrystEngComm","2016","18","33","6205","","10.1039/C6CE00952B","","","0.71073","MoKα","","0.0174","0.0172","","","0.041","0.0411","","","","","","0.767","","","","has coordinates","186364","2020-10-21","18:00:00",""
"7225838","8.1214","0.001","16.1024","0.0019","3.5623","0.0004","90","","101.211","0.001","90","","456.97","0.09","296","2","296","2","","","","","","","","5","C 1 m 1","C -2y","8","La0.140Y0.860Ca4O(BO3)3","La0.140Y0.860COB","","- B3 Ca4.03 La0.11 O10 Y0.86 -","- B3 Ca4.029 La0.11 O10 Y0.861 -","- B6 Ca8.058 La0.22 O20 Y1.722 -","2","0.5","","Qi, Hongwei; Wang, Fang; Chai, Xiangxu; Wang, Zhengping; Yu, Fapeng; Liu, Yanqing; Zhao, Xian; Xu, Xinguang","Growth and non-critical phase-matching frequency conversion properties of LaxY1−xCOB crystals","CrystEngComm","2016","18","33","6205","","10.1039/C6CE00952B","","","0.71073","MoKα","","0.0162","0.0158","","","0.0378","0.038","","","","","","0.757","","","","has coordinates","186364","2020-10-21","18:00:00",""
"7225839","3.8981","0.0003","13.3018","0.001","15.2307","0.0011","93.626","0.003","96.888","0.003","93.357","0.004","780.72","0.1","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H8 Br2 F4 O2 -","- C17 H8 Br2 F4 O2 -","- C34 H16 Br4 F8 O4 -","2","1","","Zhu, Bingqing; Wang, Jian-Rong; Zhang, Qi; Mei, Xuefeng","Greener solid-state synthesis: stereo-selective [2 + 2] photodimerization of vitamin K3controlled by halogen bonding","CrystEngComm","2016","18","34","6327","","10.1039/C6CE01236A","","","0.71073","MoKα","","0.025","0.0209","","","0.0511","0.0529","","","","","","1.031","","","","has coordinates","186353","2020-10-21","18:00:00",""
"7225840","17.0631","0.0012","4.1837","0.0003","24.5252","0.0019","90","","100.088","0.005","90","","1723.7","0.2","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H8 F4 I2 O2 -","- C17 H8 F4 I2 O2 -","- C68 H32 F16 I8 O8 -","4","1","","Zhu, Bingqing; Wang, Jian-Rong; Zhang, Qi; Mei, Xuefeng","Greener solid-state synthesis: stereo-selective [2 + 2] photodimerization of vitamin K3controlled by halogen bonding","CrystEngComm","2016","18","34","6327","","10.1039/C6CE01236A","","","0.71073","MoKα","","0.0537","0.0355","","","0.0725","0.0795","","","","","","1.02","","","","has coordinates","186353","2020-10-21","18:00:00",""
"7225841","6.44","0.0004","16.3764","0.001","12.5711","0.001","90","","93.626","0.002","90","","1323.14","0.16","150","0.5","150","0.5","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H34 N2 O4 S -","- C31 H34 N2 O4 S -","- C62 H68 N4 O8 S2 -","2","1","","Lee, Kang-Hyun; Lee, Seung-Heon; Yun, Hoseop; Jazbinsek, Mojca; Kim, Jun Wan; Rotermund, Fabian; Kwon, O-Pil","Multi-functional supramolecular building blocks with hydroxy piperidino groups: new opportunities for developing nonlinear optical ionic crystals","CrystEngComm","2016","18","31","5832","","10.1039/C6CE00401F","","","0.71073","MoKα","","0.129","0.0581","","","0.1253","0.16","","","","","","1.122","","","","has coordinates","185257","2020-10-21","18:00:00",""
"7225842","8.435","0.006","11.431","0.008","17.048","0.012","105.141","0.014","92.907","0.018","104.043","0.016","1527.8","1.9","293","2","293","2","","","","","","","","3","P -1","-P 1","2","ortho-ethoxy-trans-cinnamic acid and 2,2'-diethoxy alpha-truxillic acid","(E)-3-(2-Ethoxyphenyl)propenoic acid and trans-2,4-bis(2-ethoxyphenyl)-trans-1,3-cyclobutane-dicarboxylic acid","","- C33 H36 O9 -","- C33 H36 O9 -","- C66 H72 O18 -","2","1","","Fernandes, M. A.; Levendis, D. C.","Photodimerisation of the α′-polymorph of ortho-ethoxy-trans-cinnamic acid occurs via a two-stage mechanism at 343 K yielding 100% α-truxillic acid","CrystEngComm","2016","18","38","7363","","10.1039/C6CE00809G","","","0.71073","MoKα","","0.367","0.1381","","","0.301","0.4215","","","","","","0.912","","","","has coordinates,has disorder","187035","2020-10-21","18:00:00",""
"7225843","8.6164","0.001","10.8765","0.0014","17.292","0.002","93.157","0.002","92.001","0.002","112.657","0.003","1490.4","0.3","173","2","173","2","","","","","","","","3","P -1","-P 1","2","(E)-3-(2-Ethoxyphenyl)propenoic acid andtrans-2,4-bis(2-ethoxyphenyl)-trans-1,3-cyclobutane-dicarboxylic acid","(E)-3-(2-Ethoxyphenyl)propenoic acid andtrans-2,4-bis(2-ethoxyphenyl)-trans-1,3-cyclobutane-dicarboxylic acid","","- C33 H36 O9 -","- C33 H36 O9 -","- C66 H72 O18 -","2","1","","Fernandes, M. A.; Levendis, D. C.","Photodimerisation of the α′-polymorph of ortho-ethoxy-trans-cinnamic acid occurs via a two-stage mechanism at 343 K yielding 100% α-truxillic acid","CrystEngComm","2016","18","38","7363","","10.1039/C6CE00809G","","","0.71069","MoKα","","0.1136","0.0516","","","0.1169","0.1416","","","","","","1.002","","","","has coordinates,has disorder","187035","2020-10-21","18:00:00",""
"7225844","8.5451","0.0015","10.8805","0.0019","17.346","0.003","94.925","0.003","91.831","0.003","111.868","0.003","1487.6","0.5","173","2","173","2","","","","","","","","3","P -1","-P 1","2","ortho-ethoxy-trans-cinnamic acid and 2,2'-diethoxy alpha-truxillic acid","(E)-3-(2-Ethoxyphenyl)propenoic acid and trans-2,4-bis(2-ethoxyphenyl)-trans-1,3-cyclobutane-dicarboxylic acid","","- C33 H36 O9 -","- C33 H36 O9 -","- C66 H72 O18 -","2","1","","Fernandes, M. A.; Levendis, D. C.","Photodimerisation of the α′-polymorph of ortho-ethoxy-trans-cinnamic acid occurs via a two-stage mechanism at 343 K yielding 100% α-truxillic acid","CrystEngComm","2016","18","38","7363","","10.1039/C6CE00809G","","","0.71073","MoKα","","0.0891","0.0566","","","0.1358","0.1535","","","","","","1.057","","","","has coordinates,has disorder","187035","2020-10-21","18:00:00",""
"7225845","8.482","0.0016","10.894","0.002","17.36","0.003","96.558","0.003","91.831","0.004","111.203","0.004","1481.1","0.5","173","2","173","2","","","","","","","","3","P -1","-P 1","2","ortho-ethoxy-trans-cinnamic acid and 2,2'-diethoxy alpha-truxillic acid","(E)-3-(2-Ethoxyphenyl)propenoic acid and trans-2,4-bis(2-ethoxyphenyl)-trans-1,3-cyclobutane-dicarboxylic acid","","- C33 H36 O9 -","- C33 H36 O9 -","- C66 H72 O18 -","2","1","","Fernandes, M. A.; Levendis, D. C.","Photodimerisation of the α′-polymorph of ortho-ethoxy-trans-cinnamic acid occurs via a two-stage mechanism at 343 K yielding 100% α-truxillic acid","CrystEngComm","2016","18","38","7363","","10.1039/C6CE00809G","","","0.71069","MoKα","","0.1159","0.0559","","","0.1352","0.1618","","","","","","1.004","","","","has coordinates,has disorder","187035","2020-10-21","18:00:00",""
"7225846","8.44","0.002","10.918","0.003","17.372","0.004","98.412","0.004","92.041","0.004","109.825","0.005","1483.5","0.6","173","2","173","2","","","","","","","","3","P -1","-P 1","2","ortho-ethoxy-trans-cinnamic acid and 2,2'-diethoxy alpha-truxillic acid","(E)-3-(2-Ethoxyphenyl)propenoic acid and trans-2,4-bis(2-ethoxyphenyl)-trans-1,3-cyclobutane-dicarboxylic acid","","- C33 H36 O9 -","- C32.9978 H35.9976 O8.9994 -","- C65.9956 H71.9952 O17.9988 -","2","1","","Fernandes, M. A.; Levendis, D. C.","Photodimerisation of the α′-polymorph of ortho-ethoxy-trans-cinnamic acid occurs via a two-stage mechanism at 343 K yielding 100% α-truxillic acid","CrystEngComm","2016","18","38","7363","","10.1039/C6CE00809G","","","0.71073","MoKα","","0.1499","0.0707","","","0.1695","0.202","","","","","","1.038","","","","has coordinates,has disorder","187035","2020-10-21","18:00:00",""
"7225847","8.37","0.003","10.992","0.004","17.276","0.006","101.552","0.005","92.358","0.006","107.262","0.006","1478.5","0.9","173","2","173","2","","","","","","","","3","P -1","-P 1","2","ortho-ethoxy-trans-cinnamic acid and 2,2'-diethoxy alpha-truxillic acid","(E)-3-(2-Ethoxyphenyl)propenoic acid andtrans-2,4-bis(2-ethoxyphenyl)-trans-1,3-cyclobutane-dicarboxylic acid","","- C33 H36 O9 -","- C33 H36 O9 -","- C66 H72 O18 -","2","1","","Fernandes, M. A.; Levendis, D. C.","Photodimerisation of the α′-polymorph of ortho-ethoxy-trans-cinnamic acid occurs via a two-stage mechanism at 343 K yielding 100% α-truxillic acid","CrystEngComm","2016","18","38","7363","","10.1039/C6CE00809G","","","0.71069","MoKα","","0.1645","0.0757","","","0.1912","0.2287","","","","","","1.027","","","","has coordinates,has disorder","187035","2020-10-21","18:00:00",""
"7225848","8.3738","0.0014","11.2351","0.0019","17.064","0.003","106.059","0.003","92.617","0.004","104.502","0.003","1482.1","0.4","173","2","173","2","","","","","","","","3","P -1","-P 1","2","ortho-ethoxy-trans-cinnamic acid and 2,2'-diethoxy alpha-truxillic acid","(E)-3-(2-Ethoxyphenyl)propenoic acid and trans-2,4-bis(2-ethoxyphenyl)-trans-1,3-cyclobutane-dicarboxylic acid","","- C33 H36 O9 -","- C33 H36 O9 -","- C66 H72 O18 -","2","1","","Fernandes, M. A.; Levendis, D. C.","Photodimerisation of the α′-polymorph of ortho-ethoxy-trans-cinnamic acid occurs via a two-stage mechanism at 343 K yielding 100% α-truxillic acid","CrystEngComm","2016","18","38","7363","","10.1039/C6CE00809G","","","0.71073","MoKα","","0.1333","0.0591","","","0.1459","0.1771","","","","","","0.982","","","","has coordinates,has disorder","187035","2020-10-21","18:00:00",""
"7225849","8.6452","0.0013","10.8577","0.0017","17.262","0.003","92.47","0.003","92.102","0.003","112.563","0.003","1492.4","0.4","173","2","173","2","","","","","","","","3","P -1","-P 1","2","ortho-ethoxy-trans-cinnamic acid and 2,2'-diethoxy alpha-truxillic acid","(E)-3-(2-Ethoxyphenyl)propenoic acid and trans-2,4-bis(2-ethoxyphenyl)-trans-1,3-cyclobutane-dicarboxylic acid","","- C33 H36 O9 -","- C33 H36 O9 -","- C66 H72 O18 -","2","1","","Fernandes, M. A.; Levendis, D. C.","Photodimerisation of the α′-polymorph of ortho-ethoxy-trans-cinnamic acid occurs via a two-stage mechanism at 343 K yielding 100% α-truxillic acid","CrystEngComm","2016","18","38","7363","","10.1039/C6CE00809G","","","0.71069","MoKα","","0.1075","0.0516","","","0.1169","0.1371","","","","","","1.024","","","","has coordinates,has disorder","187035","2020-10-21","18:00:00",""
"7225850","8.3766","0.0014","11.2383","0.0018","17.082","0.003","106.072","0.004","92.601","0.003","104.599","0.003","1483.8","0.4","173","2","173","2","","","","","","","","3","P -1","-P 1","2","ortho-ethoxy-trans-cinnamic acid and 2,2'-diethoxy alpha-truxillic acid","(E)-3-(2-Ethoxyphenyl)propenoic acid and trans-2,4-bis(2-ethoxyphenyl)-trans-1,3-cyclobutane-dicarboxylic acid","","- C33 H36 O9 -","- C33 H36 O9 -","- C66 H72 O18 -","2","1","","Fernandes, M. A.; Levendis, D. C.","Photodimerisation of the α′-polymorph of ortho-ethoxy-trans-cinnamic acid occurs via a two-stage mechanism at 343 K yielding 100% α-truxillic acid","CrystEngComm","2016","18","38","7363","","10.1039/C6CE00809G","","","0.71069","MoKα","","0.1336","0.0559","","","0.1231","0.1551","","","","","","0.99","","","","has coordinates,has disorder","187035","2020-10-21","18:00:00",""
"7225856","30.854","0.005","7.3079","0.0013","9.1538","0.0016","90","","103.466","0.003","90","","2007.2","0.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H36 N6 O7 -","- C14 H36 N6 O7 -","- C56 H144 N24 O28 -","4","0.5","","Fonari, Marina S.; Antal, Sofia; Castañeda, Raúl; Ordonez, Carlos; Timofeeva, Tatiana V.","Crystalline products of CO2capture by piperazine aqueous solutions","CrystEngComm","2016","18","33","6282","","10.1039/C6CE01083K","","","0.71073","MoKα","","0.0339","0.0312","","","0.0822","0.0839","","","","","","1.055","","","","has coordinates","186367","2020-10-21","18:00:00",""
"7225857","9.856","0.003","6.681","0.002","9.172","0.003","90","","108.778","0.004","90","","571.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","piperazine monohydrate","","","- C4 H12 N2 O -","- C4 H12 N2 O -","- C16 H48 N8 O4 -","4","1","","Fonari, Marina S.; Antal, Sofia; Castañeda, Raúl; Ordonez, Carlos; Timofeeva, Tatiana V.","Crystalline products of CO2capture by piperazine aqueous solutions","CrystEngComm","2016","18","33","6282","","10.1039/C6CE01083K","","","0.71073","MoKα","","0.0363","0.0337","","","0.091","0.0936","","","","","","1.041","","","","has coordinates","186367","2020-10-21","18:00:00",""
"7225858","8.163","0.002","18.627","0.005","5.9869","0.0017","90","","110.214","0.004","90","","854.3","0.4","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","piperazinium carbaxamide trihydrate","","","- C5 H16 N2 O5 -","- C5 H16 N2 O5 -","- C20 H64 N8 O20 -","4","1","","Fonari, Marina S.; Antal, Sofia; Castañeda, Raúl; Ordonez, Carlos; Timofeeva, Tatiana V.","Crystalline products of CO2capture by piperazine aqueous solutions","CrystEngComm","2016","18","33","6282","","10.1039/C6CE01083K","","","0.71073","MoKα","","0.0277","0.0259","","","0.0624","0.0636","","","","","","1.019","","","","has coordinates","186367","2020-10-21","18:00:00",""
"7225859","6.194","0.003","9.572","0.005","18.884","0.01","90","","90","","90","","1119.6","1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H20 N4 O2 -","- C9 H20 N4 O2 -","- C36 H80 N16 O8 -","4","1","","Fonari, Marina S.; Antal, Sofia; Castañeda, Raúl; Ordonez, Carlos; Timofeeva, Tatiana V.","Crystalline products of CO2capture by piperazine aqueous solutions","CrystEngComm","2016","18","33","6282","","10.1039/C6CE01083K","","","0.71073","MoKα","","0.0592","0.0435","","","0.0945","0.1016","","","","","","1.051","","","","has coordinates","186367","2020-10-21","18:00:00",""
"7225860","10.5503","0.0006","8.933","0.0005","20.1876","0.001","90","","90.672","0.002","90","","1902.47","0.18","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 N2 O8 S Tb -","- C19 H13 N2 O8 S Tb -","- C76 H52 N8 O32 S4 Tb4 -","4","1","","Li, Rui; Qu, Xiang-Long; Zhang, Yi-Hua; Han, Hong-Liang; Li, Xia","Lanthanide‒organic frameworks constructed from naphthalenedisulfonates: structure, luminescence and luminescence sensing properties","CrystEngComm","2016","18","31","5890","","10.1039/C6CE01028H","","","0.71073","MoKα","","0.0467","0.0349","","","0.0785","0.0848","","","","","","1.04","","","","has coordinates","185256","2020-10-21","18:00:00",""
"7225861","8.8357","0.0008","10.6784","0.0009","10.9831","0.0009","80.877","0.002","69.329","0.002","88.555","0.002","956.76","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H15 N2 O9 S Sm -","- C19 H15 N2 O9 S Sm -","- C38 H30 N4 O18 S2 Sm2 -","2","1","","Li, Rui; Qu, Xiang-Long; Zhang, Yi-Hua; Han, Hong-Liang; Li, Xia","Lanthanide‒organic frameworks constructed from naphthalenedisulfonates: structure, luminescence and luminescence sensing properties","CrystEngComm","2016","18","31","5890","","10.1039/C6CE01028H","","","0.71073","MoKα","","0.0313","0.0306","","","0.0795","0.08","","","","","","1.028","","","","has coordinates","185256","2020-10-21","18:00:00",""
"7225862","8.8196","0.0012","10.6527","0.0014","10.9383","0.0015","80.996","0.002","69.223","0.002","88.54","0.002","948.5","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H15 Eu N2 O9 S -","- C19 H15 Eu N2 O9 S -","- C38 H30 Eu2 N4 O18 S2 -","2","1","","Li, Rui; Qu, Xiang-Long; Zhang, Yi-Hua; Han, Hong-Liang; Li, Xia","Lanthanide‒organic frameworks constructed from naphthalenedisulfonates: structure, luminescence and luminescence sensing properties","CrystEngComm","2016","18","31","5890","","10.1039/C6CE01028H","","","0.71073","MoKα","","0.0491","0.0405","","","0.0919","0.1109","","","","","","1.071","","","","has coordinates","185256","2020-10-21","18:00:00",""
"7225863","8.8819","0.0006","10.7645","0.0007","11.2236","0.0007","80.093","0.001","69.851","0.001","88.74","0.001","991.58","0.11","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H15 La N2 O9 S -","- C19 H15 La N2 O9 S -","- C38 H30 La2 N4 O18 S2 -","2","1","","Li, Rui; Qu, Xiang-Long; Zhang, Yi-Hua; Han, Hong-Liang; Li, Xia","Lanthanide‒organic frameworks constructed from naphthalenedisulfonates: structure, luminescence and luminescence sensing properties","CrystEngComm","2016","18","31","5890","","10.1039/C6CE01028H","","","0.71073","MoKα","","0.0339","0.0297","","","0.0732","0.0763","","","","","","0.896","","","","has coordinates","185256","2020-10-21","18:00:00",""
"7225864","11.2382","0.0012","11.7405","0.0011","14.0474","0.0013","108.24","0.002","91.419","0.002","113.675","0.002","1587.9","0.3","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H24 La N4 O9 S2 -","- C35 H24 La N4 O9 S2 -","- C70 H48 La2 N8 O18 S4 -","2","1","","Li, Rui; Qu, Xiang-Long; Zhang, Yi-Hua; Han, Hong-Liang; Li, Xia","Lanthanide‒organic frameworks constructed from naphthalenedisulfonates: structure, luminescence and luminescence sensing properties","CrystEngComm","2016","18","31","5890","","10.1039/C6CE01028H","","","0.71073","MoKα","","0.0507","0.0411","","","0.0782","0.0833","","","","","","0.976","","","","has coordinates","185256","2020-10-21","18:00:00",""
"7225865","10.5998","0.0011","8.953","0.0009","20.265","0.002","90","","90.979","0.002","90","","1922.9","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H11 Eu N2 O8 S -","- C19 H11 Eu N2 O8 S -","- C76 H44 Eu4 N8 O32 S4 -","4","1","","Li, Rui; Qu, Xiang-Long; Zhang, Yi-Hua; Han, Hong-Liang; Li, Xia","Lanthanide‒organic frameworks constructed from naphthalenedisulfonates: structure, luminescence and luminescence sensing properties","CrystEngComm","2016","18","31","5890","","10.1039/C6CE01028H","","","0.71073","MoKα","","0.095","0.0462","","","0.085","0.1026","","","","","","0.978","","","","has coordinates","185256","2020-10-21","18:00:00",""
"7225866","10.57","0.001","8.94","0.0009","20.224","0.002","90","","90.868","0.002","90","","1910.9","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 Gd N2 O8 S -","- C19 H13 Gd N2 O8 S -","- C76 H52 Gd4 N8 O32 S4 -","4","1","","Li, Rui; Qu, Xiang-Long; Zhang, Yi-Hua; Han, Hong-Liang; Li, Xia","Lanthanide‒organic frameworks constructed from naphthalenedisulfonates: structure, luminescence and luminescence sensing properties","CrystEngComm","2016","18","31","5890","","10.1039/C6CE01028H","","","0.71073","MoKα","","0.0778","0.0381","","","0.0713","0.0839","","","","","","0.999","","","","has coordinates","185256","2020-10-21","18:00:00",""
"7225867","4.8185","0.0004","10.7128","0.0009","10.5491","0.0009","90","","97.394","0.002","90","","540.01","0.08","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C12 H6 N4 O2 Zn -","- C12 H6 N4 O2 Zn -","- C24 H12 N8 O4 Zn2 -","2","1","","Chen, Xi; Zhang, Biquan; Yu, Fan; Su, Min; Qin, Wenming; Li, Bao; Zhuang, Gui-lin; Zhang, Tianle","Synthesis, crystal structure and luminescence studies of zinc(ii) and cadmium(ii) complexes with 6-(1H-tetrazol-5-yl)-2-naphthoic acid","CrystEngComm","2016","18","34","6396","","10.1039/C6CE01273F","","","0.71073","MoKα","","0.0181","0.0175","","","0.0419","0.0422","","","","","","1.019","","","","has coordinates","186360","2020-10-21","18:00:00",""
"7225868","10.2092","0.0019","8.5034","0.0017","13.885","0.003","90","","98.655","0.005","90","","1191.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C12 H6 Cd N4 O3 -","- C12 H6 Cd N4 O3 -","- C48 H24 Cd4 N16 O12 -","4","1","","Chen, Xi; Zhang, Biquan; Yu, Fan; Su, Min; Qin, Wenming; Li, Bao; Zhuang, Gui-lin; Zhang, Tianle","Synthesis, crystal structure and luminescence studies of zinc(ii) and cadmium(ii) complexes with 6-(1H-tetrazol-5-yl)-2-naphthoic acid","CrystEngComm","2016","18","34","6396","","10.1039/C6CE01273F","","","0.71073","MoKα","","0.0262","0.0204","","","0.0526","0.0561","","","","","","1.013","","","","has coordinates","186360","2020-10-21","18:00:00",""
"7225877","30.559","0.002","15.545","0.0008","22.014","0.0016","90","","132.937","0.002","90","","7656","0.9","150","2","150","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C28 H48 B Ce4 K N4 O74 W12 -","- C28 H48 B Ce4 K N4 O74 W12 -","- C112 H192 B4 Ce16 K4 N16 O296 W48 -","4","1","","Najafi, Atefeh; Mirzaei, Masoud; Mague, Joel T.","Structural scope of six new layered to pillar-layered hybrid inorganic‒organic networks bearing [BW12O40]5−and lanthanoid-cluster; database study toward ligand role in assemblies","CrystEngComm","2016","18","35","6724","","10.1039/C6CE01183G","","","0.71073","MoKα","","0.0516","0.0478","","","0.1006","0.1023","","","","","","1.055","","","","has coordinates","186350","2020-10-21","18:00:00",""
"7225878","30.27","0.003","15.5104","0.0013","21.842","0.003","90","","132.839","0.001","90","","7519.5","1.4","150","2","150","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C28 H48 B K N4 O74 Sm4 W12 -","- C28 H48 B K N4 O74 Sm4 W12 -","- C112 H192 B4 K4 N16 O296 Sm16 W48 -","4","1","","Najafi, Atefeh; Mirzaei, Masoud; Mague, Joel T.","Structural scope of six new layered to pillar-layered hybrid inorganic‒organic networks bearing [BW12O40]5−and lanthanoid-cluster; database study toward ligand role in assemblies","CrystEngComm","2016","18","35","6724","","10.1039/C6CE01183G","","","0.71073","MoKα","","0.0703","0.0647","","","0.1336","0.1375","","","","","","1.089","","","","has coordinates","186350","2020-10-21","18:00:00",""
"7225879","30.4412","0.0013","15.5369","0.0007","21.9253","0.001","90","","132.93","0.001","90","","7592.6","0.6","150","2","150","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C28 H48 B K N4 Nd4 O74 W12 -","- C28 H48 B K N4 Nd4 O74 W12 -","- C112 H192 B4 K4 N16 Nd16 O296 W48 -","4","1","","Najafi, Atefeh; Mirzaei, Masoud; Mague, Joel T.","Structural scope of six new layered to pillar-layered hybrid inorganic‒organic networks bearing [BW12O40]5−and lanthanoid-cluster; database study toward ligand role in assemblies","CrystEngComm","2016","18","35","6724","","10.1039/C6CE01183G","","","0.71073","MoKα","","0.0858","0.0672","","","0.127","0.1405","","","","","","1.041","","","","has coordinates","186350","2020-10-21","18:00:00",""
"7225880","16.9847","0.0011","24.2343","0.0016","36.286","0.002","90","","90","","90","","14935.8","1.6","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C14 H58 B Ce3 N2 O77 W12 -","- C14 H58 B Ce3 N2 O77 W12 -","- C112 H464 B8 Ce24 N16 O616 W96 -","8","1","","Najafi, Atefeh; Mirzaei, Masoud; Mague, Joel T.","Structural scope of six new layered to pillar-layered hybrid inorganic‒organic networks bearing [BW12O40]5−and lanthanoid-cluster; database study toward ligand role in assemblies","CrystEngComm","2016","18","35","6724","","10.1039/C6CE01183G","","","0.71073","MoKα","","0.0855","0.0514","","","0.1052","0.1225","","","","","","1.042","","","","has coordinates,has disorder","186350","2020-10-21","18:00:00",""
"7225881","35.825","0.002","11.9982","0.0007","17.1452","0.0009","90","","90","","90","","7369.6","0.7","150","2","150","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C14 H56 B N2 O75 Sm3 W12 -","- C14 H56 B N2 O75 Sm3 W12 -","- C56 H224 B4 N8 O300 Sm12 W48 -","4","1","","Najafi, Atefeh; Mirzaei, Masoud; Mague, Joel T.","Structural scope of six new layered to pillar-layered hybrid inorganic‒organic networks bearing [BW12O40]5−and lanthanoid-cluster; database study toward ligand role in assemblies","CrystEngComm","2016","18","35","6724","","10.1039/C6CE01183G","","","0.71073","MoKα","","0.0453","0.0378","","","0.0786","0.082","","","","","","1.034","","","","has coordinates,has disorder","186350","2020-10-21","18:00:00",""
"7225882","36.263","0.002","12.0588","0.0007","16.972","0.001","90","","90","","90","","7421.7","0.7","150","2","150","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C14 H60 B N2 Nd3 O77 W12 -","- C14 H60 B N2 Nd3 O77 W12 -","- C56 H240 B4 N8 Nd12 O308 W48 -","4","1","","Najafi, Atefeh; Mirzaei, Masoud; Mague, Joel T.","Structural scope of six new layered to pillar-layered hybrid inorganic‒organic networks bearing [BW12O40]5−and lanthanoid-cluster; database study toward ligand role in assemblies","CrystEngComm","2016","18","35","6724","","10.1039/C6CE01183G","","","0.71073","MoKα","","0.0467","0.0368","","","0.0773","0.0823","","","","","","1.022","","","","has coordinates,has disorder","186350","2020-10-21","18:00:00",""
"7225906","7.1752","0.0007","10.3078","0.001","12.3995","0.0012","86.613","0.002","87.488","0.002","71.906","0.002","869.89","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","ethylene-9,9'-diadenine","9,9'-(1,2-ethanediyl)bis-9H-purin-6-amine tetra-1,1,1,3,3,3-hexafluoro-2-propanol solvate","","- C24 H20 F24 N10 O4 -","- C24 H20 F24 N10 O4 -","- C24 H20 F24 N10 O4 -","1","0.5","","Qi, L.; Gundersen, L.-L.; Chamgordani, E. J.; Görbitz, C. H.","Watson‒Crick base pairing in 9-methyladenine and ethylene-9,9′-diadenine structures with close to 70% solvent content","CrystEngComm","2016","18","34","6352","","10.1039/C6CE01159D","","","0.71073","MoKα","","0.0506","0.0365","","","0.0818","0.0884","","","","","","1.025","","","","has coordinates","186352","2020-10-21","18:00:00",""
"7225907","12.15","0.003","12.921","0.003","13.546","0.003","113.938","0.005","101.075","0.006","96.166","0.006","1866.3","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","9-methyladenine dihexafluoro-2-propanol solvate","9-methyladenine di-1,1,1,3,3,3-hexafluoro-2-propanol solvate","","- C12 H11 F12 N5 O2 -","- C12 H11 F12 N5 O2 -","- C48 H44 F48 N20 O8 -","4","2","","Qi, L.; Gundersen, L.-L.; Chamgordani, E. J.; Görbitz, C. H.","Watson‒Crick base pairing in 9-methyladenine and ethylene-9,9′-diadenine structures with close to 70% solvent content","CrystEngComm","2016","18","34","6352","","10.1039/C6CE01159D","","","0.71073","MoKα","","0.0991","0.056","","","0.1058","0.1211","","","","","","1.046","","","","has coordinates","186352","2020-10-21","18:00:00",""
"7225908","16.1748","0.0018","7.7639","0.0009","7.539","0.0008","90","","91.191","0.002","90","","946.54","0.18","300","2","300","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","BDHN-TTF","bis(4,5-dihydronaphto[1,2-d])tetrathiafulvalene","","- C22 H16 S4 -","- C22 H16 S4 -","- C44 H32 S8 -","2","0.5","","Campos, Antonio; Oxtoby, Neil; Galindo, Sergi; Pfattner, Raphael; Veciana, Jaume; Bromley, Stefan T.; Rovira, Concepció; Mas-Torrent, Marta","Structural and electronic characterisation of π-extended tetrathiafulvalene derivatives as active components in field-effect transistors.","CrystEngComm","2016","18","33","6149","6152","10.1039/c6ce01200k","","","0.71073","MoKα","","0.0463","0.036","","","0.0985","0.1062","","","","","","1.036","","","","has coordinates","188088","2020-10-21","18:00:00",""
"7225909","3.9274","0.0014","7.167","0.003","15.716","0.006","83.267","0.006","89.379","0.006","80.859","0.006","433.7","0.3","300","2","300","2","","","","","","","","3","P -1","-P 1","2","BN-TTF","bis(naphtho[1,2-d])tetrathiafulvalene","","- C22 H12 S4 -","- C22 H12 S4 -","- C22 H12 S4 -","1","0.5","","Campos, Antonio; Oxtoby, Neil; Galindo, Sergi; Pfattner, Raphael; Veciana, Jaume; Bromley, Stefan T.; Rovira, Concepció; Mas-Torrent, Marta","Structural and electronic characterisation of π-extended tetrathiafulvalene derivatives as active components in field-effect transistors.","CrystEngComm","2016","18","33","6149","6152","10.1039/c6ce01200k","","","0.71073","MoKα","","0.1119","0.0492","","","0.098","0.1131","","","","","","0.968","","","","has coordinates","188088","2020-10-21","18:00:00",""
"7225922","3.8397","0.0019","16.676","0.008","20.455","0.01","90","","93.894","0.01","90","","1306.7","1.1","273","2","273.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 O6 -","- C15 H14 O6 -","- C60 H56 O24 -","4","1","","Zou, Fang; Tang, Xiao; Huang, Yuhong; Wan, Shigang; Lu, Fa; Chen, Zhe-Ning; Wu, Anan; Zhang, Hui","Fluorescence of a triple-stranded helicate iron(iii) complex from a novel bis-β-diketone ligand: synthesis, structure and spectroscopic studies","CrystEngComm","2016","18","35","6624","","10.1039/C6CE01231K","","","0.71073","MoKα","","0.1145","0.0862","","","0.1869","0.2022","","","","","","1.13","","","","has coordinates","186347","2020-10-21","18:00:00",""
"7225923","14.2812","0.0002","16.2445","0.0002","18.4229","0.0003","111.657","0.001","101.872","0.001","108.452","0.001","3506.82","0.1","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C65 H81 Fe2 N O26 -","- C45 H40 Fe2 O20 -","- C90 H80 Fe4 O40 -","2","1","","Zou, Fang; Tang, Xiao; Huang, Yuhong; Wan, Shigang; Lu, Fa; Chen, Zhe-Ning; Wu, Anan; Zhang, Hui","Fluorescence of a triple-stranded helicate iron(iii) complex from a novel bis-β-diketone ligand: synthesis, structure and spectroscopic studies","CrystEngComm","2016","18","35","6624","","10.1039/C6CE01231K","","","1.54184","CuKα","","0.0474","0.0393","","","0.1201","0.1244","","","","","","1.112","","","","has coordinates","186347","2020-10-21","18:00:00",""
"7225924","12.6126","0.0002","13.5051","0.0002","14.6564","0.0003","73.585","0.001","87.921","0.001","71.445","0.001","2266.3","0.07","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C45 H43 Cd N3 O13 -","- C45 H41 Cd N3 O13 -","- C90 H82 Cd2 N6 O26 -","2","1","","Zou, Fang; Tang, Xiao; Huang, Yuhong; Wan, Shigang; Lu, Fa; Chen, Zhe-Ning; Wu, Anan; Zhang, Hui","Fluorescence of a triple-stranded helicate iron(iii) complex from a novel bis-β-diketone ligand: synthesis, structure and spectroscopic studies","CrystEngComm","2016","18","35","6624","","10.1039/C6CE01231K","","","1.54178","CuKα","","0.0374","0.0363","","","0.1041","0.1053","","","","","","1.091","","","","has coordinates","186347","2020-10-21","18:00:00",""
"7225941","14.7409","0.0005","15.3429","0.0006","22.1924","0.0008","90","","103.716","0.002","90","","4876.1","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C84 H78 N16 O26 Zn6 -","- C72 H42 N12 O22 Zn6 -","- C144 H84 N24 O44 Zn12 -","2","1","","Meng, Pan Pan; Dang, Li Long; Zhang, Xiao Jing; Ma, Lu Fang; Li, Jian Qiang; Gong, Le Le; Zhang, Le; Meng, Li Na; Luo, Feng","A novel MOF showing a ring-like planar Zn6cluster and the coexistence of a single, double, and triple wall","CrystEngComm","2016","18","34","6336","","10.1039/C6CE01007E","","","0.71073","MoKα","","0.0803","0.0641","","","0.176","0.1827","","","","","","1.026","","","","has coordinates","186357","2020-10-21","18:00:00",""
"7225972","8.1989","0.0016","12.206","0.002","10.024","0.002","90","","102.81","0.03","90","","978.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H8 N9 O0 Zn -","- C6 H8 N9 Zn -","- C24 H32 N36 Zn4 -","4","1","","Wang, Duo-Zhi; Fan, Jian-Zhong; Jia, Dianzeng; Du, Ceng-Ceng","Zinc and cadmium complexes based on bis-(1H-tetrazol-5-ylmethyl/ylethyl)-amine ligands: structures and photoluminescence properties","CrystEngComm","2016","18","35","6708","","10.1039/C6CE01311B","","","0.71073","MoKα","","0.0695","0.0629","","","0.1848","0.1964","","","","","","1.109","","","","has coordinates","186344","2020-10-21","18:00:00",""
"7225973","27.148","0.004","27.148","0.004","9.957","0.003","90","","90","","120","","6355","2","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C8 H10 Cd3 Cl2 N18 -","- C8 H10 Cd3 Cl2 N18 -","- C72 H90 Cd27 Cl18 N162 -","9","0.5","","Wang, Duo-Zhi; Fan, Jian-Zhong; Jia, Dianzeng; Du, Ceng-Ceng","Zinc and cadmium complexes based on bis-(1H-tetrazol-5-ylmethyl/ylethyl)-amine ligands: structures and photoluminescence properties","CrystEngComm","2016","18","35","6708","","10.1039/C6CE01311B","","","0.71073","MoKα","","0.0238","0.0211","","","0.0553","0.0569","","","","","","1.07","","","","has coordinates","186344","2020-10-21","18:00:00",""
"7225974","7.7738","0.0005","14.0313","0.0009","10.2395","0.0007","90","","100.987","0.002","90","","1096.42","0.12","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H22 Mn2 N18 O6 -","- C8 H22 Mn2 N18 O6 -","- C16 H44 Mn4 N36 O12 -","2","0.5","","Wang, Duo-Zhi; Fan, Jian-Zhong; Jia, Dianzeng; Du, Ceng-Ceng","Zinc and cadmium complexes based on bis-(1H-tetrazol-5-ylmethyl/ylethyl)-amine ligands: structures and photoluminescence properties","CrystEngComm","2016","18","35","6708","","10.1039/C6CE01311B","","","0.71073","MoKα","","0.0402","0.0326","","","0.0777","0.0821","","","","","","1.049","","","","has coordinates","186344","2020-10-21","18:00:00",""
"7225975","7.776","0.004","13.987","0.006","8.352","0.004","90","","101.601","0.011","90","","889.8","0.7","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H5 N9 Zn -","- C4 H5 N9 Zn -","- C16 H20 N36 Zn4 -","4","1","","Wang, Duo-Zhi; Fan, Jian-Zhong; Jia, Dianzeng; Du, Ceng-Ceng","Zinc and cadmium complexes based on bis-(1H-tetrazol-5-ylmethyl/ylethyl)-amine ligands: structures and photoluminescence properties","CrystEngComm","2016","18","35","6708","","10.1039/C6CE01311B","","","0.71073","MoKα","","0.0721","0.0488","","","0.1113","0.119","","","","","","0.986","","","","has coordinates","186344","2020-10-21","18:00:00",""
"7225976","7.7937","0.0006","14.2172","0.0012","10.3075","0.0008","90","","100.571","0.002","90","","1122.73","0.16","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H22 Cd2 N18 O6 -","- C8 H22 Cd2 N18 O6 -","- C16 H44 Cd4 N36 O12 -","2","0.5","","Wang, Duo-Zhi; Fan, Jian-Zhong; Jia, Dianzeng; Du, Ceng-Ceng","Zinc and cadmium complexes based on bis-(1H-tetrazol-5-ylmethyl/ylethyl)-amine ligands: structures and photoluminescence properties","CrystEngComm","2016","18","35","6708","","10.1039/C6CE01311B","","","0.71073","MoKα","","0.0283","0.0243","","","0.0605","0.0629","","","","","","1.05","","","","has coordinates","186344","2020-10-21","18:00:00",""
"7225977","21.6492","0.0007","9.9528","0.0003","8.4146","0.0003","90","","105.597","0.001","90","","1746.33","0.1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H12 Cd2 N18 O -","- C8 H12 Cd2 N18 O -","- C32 H48 Cd8 N72 O4 -","4","0.5","","Wang, Duo-Zhi; Fan, Jian-Zhong; Jia, Dianzeng; Du, Ceng-Ceng","Zinc and cadmium complexes based on bis-(1H-tetrazol-5-ylmethyl/ylethyl)-amine ligands: structures and photoluminescence properties","CrystEngComm","2016","18","35","6708","","10.1039/C6CE01311B","","","0.71073","MoKα","","0.0227","0.0222","","","0.0639","0.0644","","","","","","1.071","","","","has coordinates","186344","2020-10-21","18:00:00",""
"7225978","6.8924","0.0003","10.06","0.0004","19.7902","0.0008","90","","90","","90","","1372.2","0.1","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H8 Cl N12 Zn2 -","- C6 H8 Cl N12 Zn2 -","- C24 H32 Cl4 N48 Zn8 -","4","0.5","","Wang, Duo-Zhi; Fan, Jian-Zhong; Jia, Dianzeng; Du, Ceng-Ceng","Zinc and cadmium complexes based on bis-(1H-tetrazol-5-ylmethyl/ylethyl)-amine ligands: structures and photoluminescence properties","CrystEngComm","2016","18","35","6708","","10.1039/C6CE01311B","","","0.71073","MoKα","","0.0354","0.0294","","","0.0757","0.0792","","","","","","1.043","","","","has coordinates,has disorder","186344","2020-10-21","18:00:00",""
"7225979","13.4767","0.0015","7.5845","0.0009","12.9148","0.0014","90","","99.542","0.002","90","","1301.8","0.3","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C6 H15 Cd N9 O3 -","- C6 H15 Cd N9 O3 -","- C24 H60 Cd4 N36 O12 -","4","1","","Wang, Duo-Zhi; Fan, Jian-Zhong; Jia, Dianzeng; Du, Ceng-Ceng","Zinc and cadmium complexes based on bis-(1H-tetrazol-5-ylmethyl/ylethyl)-amine ligands: structures and photoluminescence properties","CrystEngComm","2016","18","35","6708","","10.1039/C6CE01311B","","","0.71073","MoKα","","0.0182","0.0181","","","0.0479","0.048","","","","","","1.184","","","","has coordinates","186344","2020-10-21","18:00:00",""
"7225980","10.6856","0.0006","7.3274","0.0004","18.8986","0.0011","90","","105.776","0.001","90","","1423.98","0.14","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 Cd2 N10 O5 -","- C6 H12 Cd2 N10 O5 -","- C24 H48 Cd8 N40 O20 -","4","1","","Wang, Duo-Zhi; Fan, Jian-Zhong; Jia, Dianzeng; Du, Ceng-Ceng","Zinc and cadmium complexes based on bis-(1H-tetrazol-5-ylmethyl/ylethyl)-amine ligands: structures and photoluminescence properties","CrystEngComm","2016","18","35","6708","","10.1039/C6CE01311B","","","0.71073","MoKα","","0.0181","0.0164","","","0.0369","0.0374","","","","","","1.1","","","","has coordinates,has disorder","186344","2020-10-21","18:00:00",""
"7225981","8.0251","0.0004","10.0806","0.0006","12.6959","0.0007","89.821","0.0017","81.4586","0.0015","79.9673","0.0016","999.87","0.1","173","","173","2","","","","","","","","6","P -1","-P 1","2","","(anilinium)(trasn-syn-trans-dicyclohexano[18]crown-6)[Ni(dmit)2]","","- C32 H44 N Ni O6 S10 -","- C32 H43 N Ni O6 S10 -","- C32 H43 N Ni O6 S10 -","1","0.5","","Ohshima, Yu; Kubo, Kazuya; Matsumoto, Takashi; Ye, Heng-Yun; Noro, Shin-ichiro; Akutagawa, Tomoyuki; Nakamura, Takayoshi","One-dimensional supramolecular columnar structure of trans-syn-trans-dicyclohexano[18]crown-6 and organic ammonium cations","CrystEngComm","2016","18","41","7959","","10.1039/C6CE00980H","","","0.71075","MoKα","","0.0458","0.0425","","","0.1068","0.112","","","","","","1.158","","","","has coordinates","188077","2020-10-21","18:00:00",""
"7225982","13.4658","0.0006","19.0314","0.001","24.7402","0.001","77.941","0.006","77.593","0.006","81.569","0.006","6021.1","0.5","173","","173","","","","","","","","","7","P -1","-P 1","2","","(m-fluoroanilinium)(trasn-syn-trans-dicyclohexano[18]crown-6)[Ni(dmit)2]","","- C32 H43 F N Ni O6 S10 -","- C32 H43 F N Ni O6 S10 -","- C192 H258 F6 N6 Ni6 O36 S60 -","6","3","","Ohshima, Yu; Kubo, Kazuya; Matsumoto, Takashi; Ye, Heng-Yun; Noro, Shin-ichiro; Akutagawa, Tomoyuki; Nakamura, Takayoshi","One-dimensional supramolecular columnar structure of trans-syn-trans-dicyclohexano[18]crown-6 and organic ammonium cations","CrystEngComm","2016","18","41","7959","","10.1039/C6CE00980H","","","0.71075","MoKα","","","0.0744","","","","0.2437","","","","","","1.06","","","","has coordinates","188077","2020-10-21","18:00:00",""
"7225986","29.353","0.0006","29.353","0.0006","16.1124","0.0004","90","","90","","90","","13882.4","0.5","100","2","100","2","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C83 H140 N8 Ni8 O59 -","- C83 H56 N8 Ni8 O59 -","- C332 H224 N32 Ni32 O236 -","4","","","Fondo, Matilde; Doejo, Jesús; García-Deibe, Ana M.; Sanmartín-Matalobos, Jesús; Vicente, Ramón","A Ni8metallacalix[4]arene and a Cu4molecular rhomboid: limiting the nuclearity of carboxysalen-like metal complexes","CrystEngComm","2016","18","35","6673","","10.1039/C6CE01384H","","","0.71073","MoKα","","0.172","0.094","","","0.2893","0.3578","","","","","","1.196","","","","has coordinates,has disorder","186345","2020-10-21","18:00:00",""
"7225987","19.086","0.0016","18.084","0.0017","15.847","0.0015","90","","107.522","0.004","90","","5215.8","0.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C43 H56 Cl2 Cu4 N4 O28 -","- C43 H56 Cl2 Cu4 N4 O28 -","- C172 H224 Cl8 Cu16 N16 O112 -","4","0.5","","Fondo, Matilde; Doejo, Jesús; García-Deibe, Ana M.; Sanmartín-Matalobos, Jesús; Vicente, Ramón","A Ni8metallacalix[4]arene and a Cu4molecular rhomboid: limiting the nuclearity of carboxysalen-like metal complexes","CrystEngComm","2016","18","35","6673","","10.1039/C6CE01384H","","","0.71069","MoKα","","0.0959","0.0535","","","0.1205","0.1394","","","","","","1.026","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"7225988","7.2984","0.0001","16.7188","0.0003","20.5514","0.0003","90","","90","","90","","2507.69","0.07","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H27 Br O2 -","- C26 H27 Br O2 -","- C104 H108 Br4 O8 -","4","1","","Ochoa, María Eugenia; Aguilar-Granda, Andrés; Ramirez-Montes, Pedro I.; Barba, Victor; López, Yliana; Santillan, Rosa; Farfán, Norberto","Designed synthesis of “L” shaped 17-halo-aryl-ethynyl steroids","CrystEngComm","2016","18","36","6830","","10.1039/C6CE01056C","","x-ray","0.71073","MoKα","","0.0668","0.0535","","","0.1376","0.1455","","","","","","1.058","","","","has coordinates","187039","2020-10-21","18:00:00",""
"7225989","7.343","0.0002","17.039","0.0004","20.654","0.005","90","","90","","90","","2584.2","0.6","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H27 I O2 -","- C26 H27 I O2 -","- C104 H108 I4 O8 -","4","1","","Ochoa, María Eugenia; Aguilar-Granda, Andrés; Ramirez-Montes, Pedro I.; Barba, Victor; López, Yliana; Santillan, Rosa; Farfán, Norberto","Designed synthesis of “L” shaped 17-halo-aryl-ethynyl steroids","CrystEngComm","2016","18","36","6830","","10.1039/C6CE01056C","","x-ray","0.71073","MoKα","","0.0676","0.0506","","","0.1275","0.1393","","","","","","1.038","","","","has coordinates","187039","2020-10-21","18:00:00",""
"7225990","6.4755","0.0002","16.0635","0.0003","22.8738","0.0003","90","","90","","90","","2379.31","0.09","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H31 I O2 -","- C27 H31 I O2 -","- C108 H124 I4 O8 -","4","1","","Ochoa, María Eugenia; Aguilar-Granda, Andrés; Ramirez-Montes, Pedro I.; Barba, Victor; López, Yliana; Santillan, Rosa; Farfán, Norberto","Designed synthesis of “L” shaped 17-halo-aryl-ethynyl steroids","CrystEngComm","2016","18","36","6830","","10.1039/C6CE01056C","","x-ray","0.71073","MoKα","","0.0503","0.0419","","","0.1029","0.1079","","","","","","1.038","","","","has coordinates","187039","2020-10-21","18:00:00",""
"7225991","6.396","","16.289","","22.678","","90","","90","","90","","2362.7","","293","2","293","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H30 Br Ca0 F O2 -","- C27 H30 Br F O2 -","- C108 H120 Br4 F4 O8 -","4","1","","Ochoa, María Eugenia; Aguilar-Granda, Andrés; Ramirez-Montes, Pedro I.; Barba, Victor; López, Yliana; Santillan, Rosa; Farfán, Norberto","Designed synthesis of “L” shaped 17-halo-aryl-ethynyl steroids","CrystEngComm","2016","18","36","6830","","10.1039/C6CE01056C","","x-ray","0.71073","MoKα","","0.096","0.0667","","","0.1679","0.1897","","","","","","1.03","","","","has coordinates","187039","2020-10-21","18:00:00",""
"7225992","7.3624","0.0001","16.7118","0.0003","20.7142","0.0004","90","","90","","90","","2548.65","0.08","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H25 Br F2 O2 -","- C26 H25 Br F2 O2 -","- C104 H100 Br4 F8 O8 -","4","1","","Ochoa, María Eugenia; Aguilar-Granda, Andrés; Ramirez-Montes, Pedro I.; Barba, Victor; López, Yliana; Santillan, Rosa; Farfán, Norberto","Designed synthesis of “L” shaped 17-halo-aryl-ethynyl steroids","CrystEngComm","2016","18","36","6830","","10.1039/C6CE01056C","","x-ray","0.71073","MoKα","","0.053","0.0435","","","0.1105","0.1156","","","","","","1.056","","","","has coordinates,has disorder","187039","2020-10-21","18:00:00",""
"7225993","7.2612","0.0003","15.8845","0.0006","19.4007","0.0004","90","","90","","90","","2237.69","0.13","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H29 Br F O2 -","- C26 H29 Br F O2 -","- C104 H116 Br4 F4 O8 -","4","1","","Ochoa, María Eugenia; Aguilar-Granda, Andrés; Ramirez-Montes, Pedro I.; Barba, Victor; López, Yliana; Santillan, Rosa; Farfán, Norberto","Designed synthesis of “L” shaped 17-halo-aryl-ethynyl steroids","CrystEngComm","2016","18","36","6830","","10.1039/C6CE01056C","","x-ray","0.71073","MoKα","","0.0996","0.0532","","","0.1216","0.1422","","","","","","1.017","","","","has coordinates","187039","2020-10-21","18:00:00",""
"7225994","20.978","","6.314","","23.951","","90","","106.06","","90","","3048.62","","173","2","173","2","","","","","","","synthesis as described","4","C 1 2 1","C 2y","5","","","","- C35 H47 I O3 -","- C35 H47 I O3 -","- C140 H188 I4 O12 -","4","1","","Ochoa, María Eugenia; Aguilar-Granda, Andrés; Ramirez-Montes, Pedro I.; Barba, Victor; López, Yliana; Santillan, Rosa; Farfán, Norberto","Designed synthesis of “L” shaped 17-halo-aryl-ethynyl steroids","CrystEngComm","2016","18","36","6830","","10.1039/C6CE01056C","","x-ray","0.71073","MoKα","","0.0667","0.0411","","","0.075","0.0846","","","","","","1.051","","","","has coordinates","187039","2020-10-21","18:00:00",""
"7225995","6.3045","0.0001","16.0693","0.0004","22.117","0.0006","90","","90","","90","","2240.65","0.09","293","2","293","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H29 I O2 -","- C26 H29 I O2 -","- C104 H116 I4 O8 -","4","1","","Ochoa, María Eugenia; Aguilar-Granda, Andrés; Ramirez-Montes, Pedro I.; Barba, Victor; López, Yliana; Santillan, Rosa; Farfán, Norberto","Designed synthesis of “L” shaped 17-halo-aryl-ethynyl steroids","CrystEngComm","2016","18","36","6830","","10.1039/C6CE01056C","","x-ray","0.71073","MoKα","","0.0482","0.0373","","","0.0796","0.0846","","","","","","1.046","","","","has coordinates","187039","2020-10-21","18:00:00",""
"7225996","7.7512","0.0016","14.839","0.003","20.627","0.004","90","","90","","90","","2372.5","0.8","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H28 Br O2 -","- C28 H28 Br O2 -","- C112 H112 Br4 O8 -","4","1","","Ochoa, María Eugenia; Aguilar-Granda, Andrés; Ramirez-Montes, Pedro I.; Barba, Victor; López, Yliana; Santillan, Rosa; Farfán, Norberto","Designed synthesis of “L” shaped 17-halo-aryl-ethynyl steroids","CrystEngComm","2016","18","36","6830","","10.1039/C6CE01056C","","x-ray","0.71073","MoKα","","0.2076","0.124","","","0.3187","0.3645","","","","","","1.034","","","","has coordinates,has disorder","187039","2020-10-21","18:00:00",""
"7225997","6.5925","0.0001","22.2328","0.0006","10.2751","0.0002","90","","100.232","0.001","90","","1482.07","0.05","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H36 Br O3 -","- C34 H36 Br O3 -","- C68 H72 Br2 O6 -","2","1","","Ochoa, María Eugenia; Aguilar-Granda, Andrés; Ramirez-Montes, Pedro I.; Barba, Victor; López, Yliana; Santillan, Rosa; Farfán, Norberto","Designed synthesis of “L” shaped 17-halo-aryl-ethynyl steroids","CrystEngComm","2016","18","36","6830","","10.1039/C6CE01056C","","x-ray","0.71073","MoKα","","0.0552","0.0393","","","0.0845","0.0924","","","","","","1.049","","","","has coordinates","187039","2020-10-21","18:00:00",""
"7225998","6.6335","0.0001","16.6143","0.0004","21.5766","0.0004","90","","90","","90","","2377.98","0.08","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H29 I O2 -","- C27 H29 I O2 -","- C108 H116 I4 O8 -","4","1","","Ochoa, María Eugenia; Aguilar-Granda, Andrés; Ramirez-Montes, Pedro I.; Barba, Victor; López, Yliana; Santillan, Rosa; Farfán, Norberto","Designed synthesis of “L” shaped 17-halo-aryl-ethynyl steroids","CrystEngComm","2016","18","36","6830","","10.1039/C6CE01056C","","x-ray","0.71073","MoKα","","0.093","0.0491","","","0.0942","0.1093","","","","","","1.012","","","","has coordinates","187039","2020-10-21","18:00:00",""
"7225999","7.9321","0.0002","14.7305","0.0003","27.7895","0.0006","90","","90","","90","","3247.03","0.13","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H11 Ce N4 O11 -","- C12 H11 Ce N4 O11 -","- C96 H88 Ce8 N32 O88 -","8","1","","Derakhshandeh, Parviz Gohari; Soleimannejad, Janet; Janczak, Jan; Kaczmarek, Anna M.; Van Hecke, Kristof; Van Deun, Rik","Mechanochemically synthesized crystalline luminescent 2D coordination polymers of La3+and Ce3+, doped with Sm3+, Eu3+, Tb3+, and Dy3+: synthesis, crystal structures and luminescence","CrystEngComm","2016","18","35","6738","","10.1039/C6CE01166G","","","0.71073","MoKα","","0.0388","0.0223","","","0.0402","0.0425","","","","","","1.003","","","","has coordinates","186348","2020-10-21","18:00:00",""
"7226000","7.9559","0.0005","14.7492","0.0008","27.8802","0.0018","90","","90","","90","","3271.6","0.3","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H11 La N4 O11 -","- C12 H11 La N4 O11 -","- C96 H88 La8 N32 O88 -","8","1","","Derakhshandeh, Parviz Gohari; Soleimannejad, Janet; Janczak, Jan; Kaczmarek, Anna M.; Van Hecke, Kristof; Van Deun, Rik","Mechanochemically synthesized crystalline luminescent 2D coordination polymers of La3+and Ce3+, doped with Sm3+, Eu3+, Tb3+, and Dy3+: synthesis, crystal structures and luminescence","CrystEngComm","2016","18","35","6738","","10.1039/C6CE01166G","","","0.71073","MoKα","","0.0579","0.031","","","0.0446","0.0499","","","","","","1.01","","","","has coordinates","186348","2020-10-21","18:00:00",""
"7226032","21.9466","0.0017","9.4061","0.0007","20.0971","0.0015","90","","117.266","0.0008","90","","3687.7","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H38 N6 Ni2 O12 -","- C34 H38 N6 Ni2 O12 -","- C136 H152 N24 Ni8 O48 -","4","1","","White, Charmaine L.; LaDuca, Robert L.","Nickel adipate coordination polymers with isomeric dipyridylamide ligands: topological disorder and divergent magnetic properties","CrystEngComm","2016","18","36","6789","","10.1039/C6CE01368F","","","0.71073","MoKα","","0.0866","0.0638","","","0.1672","0.1867","","","","","","1.038","","","","has coordinates,has disorder","187038","2020-10-21","18:00:00",""
"7226033","11.2195","0.0018","13.111","0.002","13.874","0.002","77.375","0.002","73.49","0.002","74.612","0.002","1863.8","0.5","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H39 N6 Ni2 O13 -","- C34 H39 N6 Ni2 O13 -","- C68 H78 N12 Ni4 O26 -","2","1","","White, Charmaine L.; LaDuca, Robert L.","Nickel adipate coordination polymers with isomeric dipyridylamide ligands: topological disorder and divergent magnetic properties","CrystEngComm","2016","18","36","6789","","10.1039/C6CE01368F","","","0.71073","MoKα","","0.0792","0.0517","","","0.1181","0.1299","","","","","","0.988","","","","has coordinates,has disorder","187038","2020-10-21","18:00:00",""
"7226034","6.841","0.0014","7.313","0.0015","35.529","0.007","90","","90","","90","","1777.5","0.6","293","","293","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H16 N2 -","- C24 H16 N2 -","- C96 H64 N8 -","4","0.5","","Xu, Yuanxiang; Xie, Zengqi; Zhang, Houyu; Shen, Fangzhong; Ma, Yuguang","Conformational polymorphism of a twisted conjugated molecule: controllable torsional motion for crystal growth selectivity","CrystEngComm","2016","18","36","6824","","10.1039/C6CE01057A","","","0.71073","MoKα","","0.0931","0.058","","","0.1349","0.1553","","","","","","1.032","","","","has coordinates","187040","2020-10-21","18:00:00",""
"7226035","26.818","0.006","6.8919","0.0008","9.7465","0.0012","90","","100.459","0.017","90","","1771.5","0.5","293","","293","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C24 H16 N2 -","- C24 H16 N2 -","- C96 H64 N8 -","4","1","","Xu, Yuanxiang; Xie, Zengqi; Zhang, Houyu; Shen, Fangzhong; Ma, Yuguang","Conformational polymorphism of a twisted conjugated molecule: controllable torsional motion for crystal growth selectivity","CrystEngComm","2016","18","36","6824","","10.1039/C6CE01057A","","","0.71073","MoKα","","0.1426","0.079","","","0.2134","0.2549","","","","","","1.06","","","","has coordinates,has disorder","187040","2020-10-21","18:00:00",""
"7226036","10.9266","0.0009","18.0002","0.001","18.562","0.002","90","","96.911","0.01","90","","3624.3","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70 H70 Co3 N4 O26 -","- C70 H70 Co3 N4 O26 -","- C140 H140 Co6 N8 O52 -","2","0.5","","Lin, Xiao-Ming; Niu, Ji-Liang; Chen, Dan-Ni; Lu, Yan-Na; Zhang, Gang; Cai, Yue-Peng","Four metal‒organic frameworks based on a semirigid tripodal ligand and different secondary building units: structures and electrochemical performance","CrystEngComm","2016","18","36","6841","","10.1039/C6CE01068G","","","1.54178","CuKα","","0.1405","0.1004","","","0.2714","0.3057","","","","","","1.061","","","","has coordinates","187042","2020-10-21","18:00:00",""
"7226037","16.7644","0.0003","17.8611","0.0002","16.4068","0.0002","90","","113.298","0.002","90","","4512.12","0.13","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C63 H89 Cd3 N3 O44 -","- C54 H30 Cd3 O22 -","- C108 H60 Cd6 O44 -","2","0.5","","Lin, Xiao-Ming; Niu, Ji-Liang; Chen, Dan-Ni; Lu, Yan-Na; Zhang, Gang; Cai, Yue-Peng","Four metal‒organic frameworks based on a semirigid tripodal ligand and different secondary building units: structures and electrochemical performance","CrystEngComm","2016","18","36","6841","","10.1039/C6CE01068G","","","1.54178","CuKα","","0.0646","0.0583","","","0.184","0.1912","","","","","","1.093","","","","has coordinates","187042","2020-10-21","18:00:00",""
"7226038","10.2193","0.0006","11.1861","0.0005","16.235","0.0007","95.006","0.001","91.712","0.002","112.69","0.001","1701.64","0.15","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H62 Mn3 N4 O24 -","- C66 H62 Mn3 N4 O24 -","- C66 H62 Mn3 N4 O24 -","1","0.5","","Lin, Xiao-Ming; Niu, Ji-Liang; Chen, Dan-Ni; Lu, Yan-Na; Zhang, Gang; Cai, Yue-Peng","Four metal‒organic frameworks based on a semirigid tripodal ligand and different secondary building units: structures and electrochemical performance","CrystEngComm","2016","18","36","6841","","10.1039/C6CE01068G","","","0.71073","MoKα","","0.1147","0.05","","","0.1157","0.16","","","","","","1.031","","","","has coordinates","187042","2020-10-21","18:00:00",""
"7226039","12.2813","0.0002","27.3205","0.0004","16.465","0.0002","90","","102.863","0.001","90","","5385.89","0.14","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H62 N4 O15 Zn2 -","- C47 H59 N4 O15 Zn2 -","- C188 H236 N16 O60 Zn8 -","4","1","","Lin, Xiao-Ming; Niu, Ji-Liang; Chen, Dan-Ni; Lu, Yan-Na; Zhang, Gang; Cai, Yue-Peng","Four metal‒organic frameworks based on a semirigid tripodal ligand and different secondary building units: structures and electrochemical performance","CrystEngComm","2016","18","36","6841","","10.1039/C6CE01068G","","","1.54178","CuKα","","0.0791","0.0687","","","0.2085","0.2204","","","","","","1.045","","","","has coordinates","187042","2020-10-21","18:00:00",""
"7226049","9.397","0.001","13.751","0.001","16.804","0.001","90","","95.736","0.001","90","","2160.5","0.3","300","2","300","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 Cl3 Co Cs4 N8 W -","- C8 Cl3 Co Cs4 N8 W -","- C32 Cl12 Co4 Cs16 N32 W4 -","4","1","","Nakabayashi, Koji; Chorazy, Szymon; Miyamoto, Yasuto; Fujimoto, Takashi; Yazawa, Koji; Takahashi, Daisuke; Sieklucka, Barbara; Ohkoshi, Shin-ichi","High thermal durability of a layered Cs4CoII[WV(CN)8]Cl3 framework: crystallographic and 133Cs NMR spectroscopic studies","CrystEngComm","2016","18","48","9236","","10.1039/C6CE01363E","","","0.6889","synchrotron","","0.0312","0.0278","","","0.0645","0.066","","","","","","0.972","","","","has coordinates","190071","2020-10-21","18:00:00",""
"7226050","9.427","0.001","13.785","0.001","16.814","0.001","90","","95.667","0.001","90","","2174.3","0.3","400","2","400","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 Cl3 Co Cs4 N8 W -","- C8 Cl3 Co Cs4 N8 W -","- C32 Cl12 Co4 Cs16 N32 W4 -","4","1","","Nakabayashi, Koji; Chorazy, Szymon; Miyamoto, Yasuto; Fujimoto, Takashi; Yazawa, Koji; Takahashi, Daisuke; Sieklucka, Barbara; Ohkoshi, Shin-ichi","High thermal durability of a layered Cs4CoII[WV(CN)8]Cl3 framework: crystallographic and 133Cs NMR spectroscopic studies","CrystEngComm","2016","18","48","9236","","10.1039/C6CE01363E","","","0.6889","synchrotron","","0.0572","0.0414","","","0.0945","0.1037","","","","","","0.877","","","","has coordinates","190071","2020-10-21","18:00:00",""
"7226051","9.45","0.001","13.796","0.001","16.753","0.001","90","","95.654","0.002","90","","2173.5","0.3","473","2","473","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 Cl3 Co Cs4 N8 W -","- C8 Cl3 Co Cs4 N8 W -","- C32 Cl12 Co4 Cs16 N32 W4 -","4","1","","Nakabayashi, Koji; Chorazy, Szymon; Miyamoto, Yasuto; Fujimoto, Takashi; Yazawa, Koji; Takahashi, Daisuke; Sieklucka, Barbara; Ohkoshi, Shin-ichi","High thermal durability of a layered Cs4CoII[WV(CN)8]Cl3 framework: crystallographic and 133Cs NMR spectroscopic studies","CrystEngComm","2016","18","48","9236","","10.1039/C6CE01363E","","","0.6889","synchrotron","","0.1033","0.0733","","","0.1806","0.21","","","","","","0.949","","","","has coordinates","190071","2020-10-21","18:00:00",""
"7226081","8.7424","0.0003","11.0479","0.0004","13.085","0.0004","71.61","0.003","83.241","0.003","85.831","0.003","1190.09","0.07","173","0.1","173","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C16 H24 Ag F6 N12 P -","- C16 H24 Ag F6 N12 P -","- C32 H48 Ag2 F12 N24 P2 -","2","1","","Huo, Jian Zhong; Su, Xiu Mei; Wu, Xiang Xia; Liu, Yuan Yuan; Ding, Bin","Hydrothermal synthesis and characterization of a series of luminescent Ag(i) coordination polymers with two new multidentate bis-(1,2,3-triazole) ligands: structural diversity, polymorphism and photoluminescent sensing","CrystEngComm","2016","18","35","6640","","10.1039/C6CE01275B","","x-ray","1.54184","CuKα","","0.0452","0.0391","","","0.0912","0.0967","","","","","","1.032","","","","has coordinates","186349","2020-10-21","18:00:00",""
"7226082","9.4022","0.0005","9.0007","0.0006","21.7341","0.0012","90","","95.977","0.005","90","","1829.28","0.19","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 Ag2 B2 F8 N18 -","- C24 H36 Ag2 B2 F8 N18 -","- C48 H72 Ag4 B4 F16 N36 -","2","0.5","","Huo, Jian Zhong; Su, Xiu Mei; Wu, Xiang Xia; Liu, Yuan Yuan; Ding, Bin","Hydrothermal synthesis and characterization of a series of luminescent Ag(i) coordination polymers with two new multidentate bis-(1,2,3-triazole) ligands: structural diversity, polymorphism and photoluminescent sensing","CrystEngComm","2016","18","35","6640","","10.1039/C6CE01275B","","x-ray","1.54184","CuKα","","0.0856","0.0769","","","0.2059","0.2168","","","","","","1.074","","","","has coordinates","186349","2020-10-21","18:00:00",""
"7226083","9.33","0.0007","8.9872","0.0007","22.964","0.002","90","","97.11","0.007","90","","1910.7","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 Ag2 F12 N18 P2 -","- C24 H36 Ag2 F12 N18 P2 -","- C48 H72 Ag4 F24 N36 P4 -","2","0.5","","Huo, Jian Zhong; Su, Xiu Mei; Wu, Xiang Xia; Liu, Yuan Yuan; Ding, Bin","Hydrothermal synthesis and characterization of a series of luminescent Ag(i) coordination polymers with two new multidentate bis-(1,2,3-triazole) ligands: structural diversity, polymorphism and photoluminescent sensing","CrystEngComm","2016","18","35","6640","","10.1039/C6CE01275B","","","1.54184","CuKα","","0.1338","0.1082","","","0.275","0.2995","","","","","","1.07","","","","has coordinates,has disorder","186349","2020-10-21","18:00:00",""
"7226084","5.5307","0.0003","13.1818","0.0007","12.0644","0.0006","90","","94.618","0.005","90","","876.69","0.08","173","0.1","173","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 Ag2 N8 O6 -","- C10 H16 Ag2 N8 O6 -","- C20 H32 Ag4 N16 O12 -","2","0.5","","Huo, Jian Zhong; Su, Xiu Mei; Wu, Xiang Xia; Liu, Yuan Yuan; Ding, Bin","Hydrothermal synthesis and characterization of a series of luminescent Ag(i) coordination polymers with two new multidentate bis-(1,2,3-triazole) ligands: structural diversity, polymorphism and photoluminescent sensing","CrystEngComm","2016","18","35","6640","","10.1039/C6CE01275B","","x-ray","0.71073","MoKα","","0.0425","0.0343","","","0.0743","0.0806","","","","","","1.069","","","","has coordinates","186349","2020-10-21","18:00:00",""
"7226085","7.5701","0.0003","10.994","0.0005","12.2207","0.0006","110.593","0.004","98.841","0.004","103.512","0.004","894.11","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H36 Ag2 B2 F8 N18 -","- C24 H36 Ag2 B2 F8 N18 -","- C24 H36 Ag2 B2 F8 N18 -","1","0.5","","Huo, Jian Zhong; Su, Xiu Mei; Wu, Xiang Xia; Liu, Yuan Yuan; Ding, Bin","Hydrothermal synthesis and characterization of a series of luminescent Ag(i) coordination polymers with two new multidentate bis-(1,2,3-triazole) ligands: structural diversity, polymorphism and photoluminescent sensing","CrystEngComm","2016","18","35","6640","","10.1039/C6CE01275B","","","0.71073","MoKα","","0.0742","0.0618","","","0.1484","0.1612","","","","","","1.029","","","","has coordinates,has disorder","186349","2020-10-21","18:00:00",""
"7226091","17.3383","0.0007","7.7724","0.0003","15.5015","0.0006","90","","90","","90","","2088.99","0.14","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22 H14 N4 O9 Zn2 -","- C22 H16 N4 O9 Zn2 -","- C88 H64 N16 O36 Zn8 -","4","0.5","","Zhang, Xiutang; Fan, Liming; Fan, Weiliu; Li, Bin; Liu, Guangzeng; Liu, Xinzheng; Zhao, Xian","Structural diversity, luminescence and photocatalytic properties of six coordination polymers based on designed bifunctional 2-(imidazol-1-yl)terephthalic acid","CrystEngComm","2016","18","36","6914","","10.1039/C6CE01296E","","","0.71073","MoKα","","0.0303","0.0291","","","0.0838","0.0852","","","","","","1.064","","","","has coordinates,has disorder","187041","2020-10-21","18:00:00",""
"7226092","17.3409","0.0006","7.7719","0.0003","15.5112","0.0006","90","","90","","90","","2090.47","0.14","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22 H14 Mn2 N4 O9 -","- C22 H12 Mn2 N4 O9 -","- C88 H48 Mn8 N16 O36 -","4","0.5","","Zhang, Xiutang; Fan, Liming; Fan, Weiliu; Li, Bin; Liu, Guangzeng; Liu, Xinzheng; Zhao, Xian","Structural diversity, luminescence and photocatalytic properties of six coordination polymers based on designed bifunctional 2-(imidazol-1-yl)terephthalic acid","CrystEngComm","2016","18","36","6914","","10.1039/C6CE01296E","","","0.71073","MoKα","","0.054","0.0531","","","0.1665","0.1679","","","","","","1.116","","","","has coordinates","187041","2020-10-21","18:00:00",""
"7226093","15.2246","0.0008","7.3657","0.0004","16.7773","0.0009","90","","106.831","0.002","90","","1800.81","0.17","296","2","296","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C34 H28 N8 O11 Zn2 -","- C34 H28 N8 O11 Zn2 -","- C68 H56 N16 O22 Zn4 -","2","0.5","","Zhang, Xiutang; Fan, Liming; Fan, Weiliu; Li, Bin; Liu, Guangzeng; Liu, Xinzheng; Zhao, Xian","Structural diversity, luminescence and photocatalytic properties of six coordination polymers based on designed bifunctional 2-(imidazol-1-yl)terephthalic acid","CrystEngComm","2016","18","36","6914","","10.1039/C6CE01296E","","","0.71073","MoKα","","0.0631","0.0419","","","0.1152","0.1245","","","","","","1.03","","","","has coordinates","187041","2020-10-21","18:00:00",""
"7226094","7.3222","0.0003","25.5967","0.001","10.3654","0.0004","90","","99.32","0.001","90","","1917.08","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 N4 Ni O8 -","- C17 H19 N4 Ni O8 -","- C68 H76 N16 Ni4 O32 -","4","1","","Zhang, Xiutang; Fan, Liming; Fan, Weiliu; Li, Bin; Liu, Guangzeng; Liu, Xinzheng; Zhao, Xian","Structural diversity, luminescence and photocatalytic properties of six coordination polymers based on designed bifunctional 2-(imidazol-1-yl)terephthalic acid","CrystEngComm","2016","18","36","6914","","10.1039/C6CE01296E","","","0.71073","MoKα","","0.0344","0.0325","","","0.0773","0.0785","","","","","","1.035","","","","has coordinates","187041","2020-10-21","18:00:00",""
"7226095","15.566","0.003","6.9981","0.0014","17.643","0.004","90","","107.99","0.03","90","","1827.9","0.7","296","2","296","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C36 H27 N8 O9 Zn2 -","- C36 H27 N8 O9 Zn2 -","- C72 H54 N16 O18 Zn4 -","2","0.5","","Zhang, Xiutang; Fan, Liming; Fan, Weiliu; Li, Bin; Liu, Guangzeng; Liu, Xinzheng; Zhao, Xian","Structural diversity, luminescence and photocatalytic properties of six coordination polymers based on designed bifunctional 2-(imidazol-1-yl)terephthalic acid","CrystEngComm","2016","18","36","6914","","10.1039/C6CE01296E","","","0.71073","MoKα","","0.0526","0.0394","","","0.1039","0.1115","","","","","","1.038","","","","has coordinates","187041","2020-10-21","18:00:00",""
"7226096","29.9762","0.0012","6.7809","0.0003","21.3475","0.0009","90","","121.734","0.001","90","","3690.5","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H17 Cd N4 O6 -","- C18 H17 Cd N4 O6 -","- C144 H136 Cd8 N32 O48 -","8","1","","Zhang, Xiutang; Fan, Liming; Fan, Weiliu; Li, Bin; Liu, Guangzeng; Liu, Xinzheng; Zhao, Xian","Structural diversity, luminescence and photocatalytic properties of six coordination polymers based on designed bifunctional 2-(imidazol-1-yl)terephthalic acid","CrystEngComm","2016","18","36","6914","","10.1039/C6CE01296E","","","0.71073","MoKα","","0.0288","0.0256","","","0.0728","0.0839","","","","","","1.067","","","","has coordinates","187041","2020-10-21","18:00:00",""
"7226097","16.7407","0.0006","9.5561","0.0003","16.5918","0.0006","90","","90.525","0.003","90","","2654.18","0.16","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H30 N4 O18 -","- C20 H30 N4 O18 -","- C80 H120 N16 O72 -","4","0.5","","Kerr, Hannah E.; Mason, Helen E.; Sparkes, Hazel A.; Hodgkinson, Paul","Testing the limits of NMR crystallography: the case of caffeine‒citric acid hydrate","CrystEngComm","2016","18","35","6700","","10.1039/C6CE01453D","","","0.71073","MoKα","","0.063","0.0457","","","0.1","0.1108","","","","","","1.05","","","","has coordinates,has disorder","186351","2020-10-21","18:00:00",""
"7226122","11.8183","0.0006","7.9251","0.0004","8.957","0.0005","90","","90.047","0.003","90","","838.92","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H7 I N2 O -","- C7 H7 I N2 O -","- C28 H28 I4 N8 O4 -","4","1","","Koshti, Vijay S.; Thorat, Shridhar H.; Gote, Ravindra P.; Chikkali, Samir H.; Gonnade, Rajesh G.","The impact of modular substitution on crystal packing: the tale of two ureas","CrystEngComm","2016","18","37","7078","","10.1039/C6CE01324D","","","0.71073","MoKα","","0.0461","0.0369","","","0.0899","0.0952","","","","","","1.05","","","","has coordinates","187053","2020-10-21","18:00:00",""
"7226123","21.4515","0.0004","8.4446","0.0001","8.9977","0.0001","90","","90","","90","","1629.93","0.04","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C7 H7 I N2 O -","- C7 H7 I N2 O -","- C56 H56 I8 N16 O8 -","8","1","","Koshti, Vijay S.; Thorat, Shridhar H.; Gote, Ravindra P.; Chikkali, Samir H.; Gonnade, Rajesh G.","The impact of modular substitution on crystal packing: the tale of two ureas","CrystEngComm","2016","18","37","7078","","10.1039/C6CE01324D","","","0.71073","MoKα","","0.071","0.0465","","","0.136","0.152","","","","","","1.024","","","","has coordinates","187053","2020-10-21","18:00:00",""
"7226124","4.6211","0.0007","5.2775","0.0008","16.932","0.003","90","","96.344","0.002","90","","410.41","0.11","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H7 I N2 O -","- C7 H7 I N2 O -","- C14 H14 I2 N4 O2 -","2","1","","Koshti, Vijay S.; Thorat, Shridhar H.; Gote, Ravindra P.; Chikkali, Samir H.; Gonnade, Rajesh G.","The impact of modular substitution on crystal packing: the tale of two ureas","CrystEngComm","2016","18","37","7078","","10.1039/C6CE01324D","","","0.71073","MoKα","","0.015","0.0148","","","0.0358","0.0359","","","","","","1.103","","","","has coordinates","187053","2020-10-21","18:00:00",""
"7226125","12.7772","0.0011","5.1405","0.0004","20.7792","0.0016","90","","99.085","0.005","90","","1347.68","0.19","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 I N2 S -","- C13 H11 I N2 S -","- C52 H44 I4 N8 S4 -","4","1","","Koshti, Vijay S.; Thorat, Shridhar H.; Gote, Ravindra P.; Chikkali, Samir H.; Gonnade, Rajesh G.","The impact of modular substitution on crystal packing: the tale of two ureas","CrystEngComm","2016","18","37","7078","","10.1039/C6CE01324D","","","0.71073","MoKα","","0.0467","0.0395","","","0.077","0.0793","","","","","","1.186","","","","has coordinates","187053","2020-10-21","18:00:00",""
"7226126","21.0485","0.0013","4.6303","0.0003","12.8294","0.0007","90","","102.835","0.004","90","","1219.12","0.13","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 I N2 O -","- C13 H11 I N2 O -","- C52 H44 I4 N8 O4 -","4","1","","Koshti, Vijay S.; Thorat, Shridhar H.; Gote, Ravindra P.; Chikkali, Samir H.; Gonnade, Rajesh G.","The impact of modular substitution on crystal packing: the tale of two ureas","CrystEngComm","2016","18","37","7078","","10.1039/C6CE01324D","","","0.71073","MoKα","","0.0492","0.0411","","","0.0691","0.0713","","","","","","1.225","","","","has coordinates","187053","2020-10-21","18:00:00",""
"7226127","12.6626","0.0017","7.0591","0.001","15.395","0.002","90","","94.006","0.002","90","","1372.7","0.3","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 I N2 S -","- C13 H11 I N2 S -","- C52 H44 I4 N8 S4 -","4","1","","Koshti, Vijay S.; Thorat, Shridhar H.; Gote, Ravindra P.; Chikkali, Samir H.; Gonnade, Rajesh G.","The impact of modular substitution on crystal packing: the tale of two ureas","CrystEngComm","2016","18","37","7078","","10.1039/C6CE01324D","","","0.71073","MoKα","","0.0568","0.0484","","","0.1309","0.1354","","","","","","1.054","","","","has coordinates","187053","2020-10-21","18:00:00",""
"7226128","27.607","0.006","4.6224","0.0011","9.75","0.002","90","","93.235","0.003","90","","1242.2","0.5","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 F I N2 O -","- C13 H10 F I N2 O -","- C52 H40 F4 I4 N8 O4 -","4","1","","Koshti, Vijay S.; Thorat, Shridhar H.; Gote, Ravindra P.; Chikkali, Samir H.; Gonnade, Rajesh G.","The impact of modular substitution on crystal packing: the tale of two ureas","CrystEngComm","2016","18","37","7078","","10.1039/C6CE01324D","","","0.71073","MoKα","","0.0409","0.0316","","","0.0792","0.0834","","","","","","1.04","","","","has coordinates","187053","2020-10-21","18:00:00",""
"7226129","12.481","0.002","9.9446","0.0016","23.867","0.004","90","","96.736","0.002","90","","2941.9","0.8","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 I N2 O S -","- C14 H13 I N2 O S -","- C112 H104 I8 N16 O8 S8 -","8","2","","Koshti, Vijay S.; Thorat, Shridhar H.; Gote, Ravindra P.; Chikkali, Samir H.; Gonnade, Rajesh G.","The impact of modular substitution on crystal packing: the tale of two ureas","CrystEngComm","2016","18","37","7078","","10.1039/C6CE01324D","","","0.71073","MoKα","","0.0643","0.0567","","","0.1265","0.13","","","","","","1.181","","","","has coordinates","187053","2020-10-21","18:00:00",""
"7226130","8.1518","0.0006","18.2688","0.0013","9.5334","0.0007","90","","93.672","0.001","90","","1416.83","0.18","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 I N2 O S -","- C14 H13 I N2 O S -","- C56 H52 I4 N8 O4 S4 -","4","1","","Koshti, Vijay S.; Thorat, Shridhar H.; Gote, Ravindra P.; Chikkali, Samir H.; Gonnade, Rajesh G.","The impact of modular substitution on crystal packing: the tale of two ureas","CrystEngComm","2016","18","37","7078","","10.1039/C6CE01324D","","","0.71073","MoKα","","0.0268","0.0258","","","0.058","0.0584","","","","","","1.228","","","","has coordinates","187053","2020-10-21","18:00:00",""
"7226131","14.2167","0.0019","14.5308","0.0018","6.8955","0.001","90","","90","","90","","1424.5","0.3","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C13 H10 I N3 O2 S -","- C13 H10 I N3 O2 S -","- C52 H40 I4 N12 O8 S4 -","4","1","","Koshti, Vijay S.; Thorat, Shridhar H.; Gote, Ravindra P.; Chikkali, Samir H.; Gonnade, Rajesh G.","The impact of modular substitution on crystal packing: the tale of two ureas","CrystEngComm","2016","18","37","7078","","10.1039/C6CE01324D","","","0.71073","MoKα","","0.0334","0.0316","","","0.0701","0.0709","","","","","","1.159","","","","has coordinates","187053","2020-10-21","18:00:00",""
"7226132","15.3895","0.0012","5.4985","0.0005","17.1612","0.0015","90","","116.18","0.004","90","","1303.2","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 I N2 S -","- C13 H11 I N2 S -","- C52 H44 I4 N8 S4 -","4","1","","Koshti, Vijay S.; Thorat, Shridhar H.; Gote, Ravindra P.; Chikkali, Samir H.; Gonnade, Rajesh G.","The impact of modular substitution on crystal packing: the tale of two ureas","CrystEngComm","2016","18","37","7078","","10.1039/C6CE01324D","","","0.71073","MoKα","","0.0639","0.0549","","","0.1094","0.1126","","","","","","1.24","","","","has coordinates","187053","2020-10-21","18:00:00",""
"7226133","26.18","0.0017","4.6273","0.0003","9.9779","0.0007","90","","91.646","0.003","90","","1208.25","0.14","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 I N2 O -","- C13 H11 I N2 O -","- C52 H44 I4 N8 O4 -","4","1","","Koshti, Vijay S.; Thorat, Shridhar H.; Gote, Ravindra P.; Chikkali, Samir H.; Gonnade, Rajesh G.","The impact of modular substitution on crystal packing: the tale of two ureas","CrystEngComm","2016","18","37","7078","","10.1039/C6CE01324D","","","0.71073","MoKα","","0.0385","0.0274","","","0.0853","0.1324","","","","","","1.187","","","","has coordinates","187053","2020-10-21","18:00:00",""
"7226134","27.253","0.005","4.6408","0.0009","9.8532","0.0018","90","","91.991","0.006","90","","1245.4","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 I N2 O -","- C13 H11 I N2 O -","- C52 H44 I4 N8 O4 -","4","1","","Koshti, Vijay S.; Thorat, Shridhar H.; Gote, Ravindra P.; Chikkali, Samir H.; Gonnade, Rajesh G.","The impact of modular substitution on crystal packing: the tale of two ureas","CrystEngComm","2016","18","37","7078","","10.1039/C6CE01324D","","","1.54178","CuKα","","0.0717","0.057","","","0.1608","0.1728","","","","","","1.15","","","","has coordinates","187053","2020-10-21","18:00:00",""
"7226135","13.5715","0.0005","15.217","0.0005","24.985","0.0009","77.706","0.003","89.786","0.003","73.329","0.003","4820.5","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 Ag4 N14 O63 P2 W18 -","- C42 Ag4 N14 O63 P2 W18 -","- C84 Ag8 N28 O126 P4 W36 -","2","1","","Sha, Jing-Quan; Zhu, Pei-Pei; Yang, Xi-Ya; Sheng, Ning; Li, Ji-Shen; Sun, Long-Jiang; Yan, Hong","A rigid organic ligand-induced POMCP with a helical self-penetrating structure as a redox and acid catalyst","CrystEngComm","2016","18","37","7049","","10.1039/C6CE01358A","","","0.71073","MoKα","","0.1398","0.101","","","0.2767","0.3106","","","","","","1.057","","","","has coordinates,has disorder","187055","2020-10-21","18:00:00",""
"7226136","27.2878","0.0014","14.5549","0.0005","24.4249","0.0012","90","","115.836","0.006","90","","8731.2","0.8","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H28 N12 O62 P2 W18 -","- C36 H28 N12 O62 P2 W18 -","- C144 H112 N48 O248 P8 W72 -","4","0.5","","Sha, Jing-Quan; Zhu, Pei-Pei; Yang, Xi-Ya; Sheng, Ning; Li, Ji-Shen; Sun, Long-Jiang; Yan, Hong","A rigid organic ligand-induced POMCP with a helical self-penetrating structure as a redox and acid catalyst","CrystEngComm","2016","18","37","7049","","10.1039/C6CE01358A","","","0.71073","MoKα","","0.0555","0.0394","","","0.095","0.1043","","","","","","1.086","","","","has coordinates","187055","2020-10-21","18:00:00",""
"7226142","23.7111","0.0004","23.7111","0.0004","46.9783","0.0007","90","","90","","90","","26412","0.7","100","2","100","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C112 H108 Co2 N16 O4 S4 -","- C112 H108 Co2 N16 O4 S4 -","- C896 H864 Co16 N128 O32 S32 -","8","1","","Klein, Y. Maximilian; Prescimone, Alessandro; Pitak, Mateusz B.; J.Coles, Simon; Constable, Edwin C.; Housecroft, Catherine E.","Constructing chiral MOFs by functionalizing 4,2′:6′,4′′-terpyridine with long-chain alkoxy domains: rare examples of neb nets","CrystEngComm","2016","18","25","4704","","10.1039/C6CE00939E","","x-ray","0.71075","MoKα","K-L~3~","0.144","0.0901","","","0.2552","0.2795","","","","","","0.95","","","","has coordinates,has disorder","185039","2020-10-21","18:00:00",""
"7226143","23.68444","0.00016","23.68444","0.00016","46.9716","0.0004","90","","90","","90","","26348.8","0.3","100","2","100","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C112 H108 Co2 N16 O4 S4 -","- C112 H108 Co2 N16 O4 S4 -","- C896 H864 Co16 N128 O32 S32 -","8","1","","Klein, Y. Maximilian; Prescimone, Alessandro; Pitak, Mateusz B.; J.Coles, Simon; Constable, Edwin C.; Housecroft, Catherine E.","Constructing chiral MOFs by functionalizing 4,2′:6′,4′′-terpyridine with long-chain alkoxy domains: rare examples of neb nets","CrystEngComm","2016","18","25","4704","","10.1039/C6CE00939E","","x-ray","0.71075","MoKα","K-L~3~","0.1171","0.0894","","","0.2652","0.2836","","","","","","1.035","","","","has coordinates,has disorder","185039","2020-10-21","18:00:00",""
"7226144","23.88216","0.00009","23.88216","0.00009","46.8514","0.0003","90","","90","","90","","26722.1","0.2","100","2","100","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C127 H138 Cl6 Co2 N16 O5 S4 -","- C127 H138 Cl6 Co2 N16 O5 S4 -","- C1016 H1104 Cl48 Co16 N128 O40 S32 -","8","1","","Klein, Y. Maximilian; Prescimone, Alessandro; Pitak, Mateusz B.; J.Coles, Simon; Constable, Edwin C.; Housecroft, Catherine E.","Constructing chiral MOFs by functionalizing 4,2′:6′,4′′-terpyridine with long-chain alkoxy domains: rare examples of neb nets","CrystEngComm","2016","18","25","4704","","10.1039/C6CE00939E","","x-ray","0.71075","MoKα","K-L~3~","0.0954","0.0913","","","0.256","0.2615","","","","","","1.051","","","","has coordinates","185039","2020-10-21","18:00:00",""
"7226145","10.133","0.003","6.7797","0.0017","13.077","0.003","90","","91.44","0.02","90","","898.1","0.4","298","2","298","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C15 H10 Br Hg I2 N3 O -","- C15 H10 Br Hg I2 N3 O -","- C30 H20 Br2 Hg2 I4 N6 O2 -","2","0.5","","Khavasi, Hamid Reza; Kavand, Sima","π-Stacking synthon repetitivity in coordination compounds","CrystEngComm","2016","18","25","4760","","10.1039/C6CE00838K","","","0.71073","MoKα","","0.0903","0.0718","","","0.1856","0.199","","","","","","1.099","","","","has coordinates","185040","2020-10-21","18:00:00",""
"7226146","9.8327","0.0014","6.6591","0.0013","12.8974","0.0017","90","","91.698","0.011","90","","844.1","0.2","298","2","298","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C15 H10 Br3 Hg N3 O -","- C15 H10 Br3 Hg N3 O -","- C30 H20 Br6 Hg2 N6 O2 -","2","0.5","","Khavasi, Hamid Reza; Kavand, Sima","π-Stacking synthon repetitivity in coordination compounds","CrystEngComm","2016","18","25","4760","","10.1039/C6CE00838K","","","0.71073","MoKα","","0.0952","0.0906","","","0.171","0.192","","","","","","1.149","","","","has coordinates","185040","2020-10-21","18:00:00",""
"7226147","7.8032","0.0007","9.6586","0.0009","11.4038","0.0011","78.367","0.007","81.78","0.007","76.496","0.007","814.39","0.13","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H10 Br Cl2 Hg N3 O -","- C15 H10 Br Cl2 Hg N3 O -","- C30 H20 Br2 Cl4 Hg2 N6 O2 -","2","1","","Khavasi, Hamid Reza; Kavand, Sima","π-Stacking synthon repetitivity in coordination compounds","CrystEngComm","2016","18","25","4760","","10.1039/C6CE00838K","","","0.71073","MoKα","","0.0704","0.041","","","0.1046","0.1101","","","","","","1.191","","","","has coordinates","185040","2020-10-21","18:00:00",""
"7226148","5.1029","0.0007","13.9355","0.0014","18.293","0.003","90","","92.318","0.011","90","","1299.8","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 Br N3 O -","- C15 H10 Br N3 O -","- C60 H40 Br4 N12 O4 -","4","1","","Khavasi, Hamid Reza; Kavand, Sima","π-Stacking synthon repetitivity in coordination compounds","CrystEngComm","2016","18","25","4760","","10.1039/C6CE00838K","","","0.71073","MoKα","","0.091","0.085","","","0.1569","0.1962","","","","","","1.194","","","","has coordinates","185040","2020-10-21","18:00:00",""
"7226149","5.0499","0.0007","13.8172","0.0011","18.221","0.002","90","","93.432","0.01","90","","1269.1","0.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 Cl N3 O -","- C15 H10 Cl N3 O -","- C60 H40 Cl4 N12 O4 -","4","1","","Khavasi, Hamid Reza; Kavand, Sima","π-Stacking synthon repetitivity in coordination compounds","CrystEngComm","2016","18","25","4760","","10.1039/C6CE00838K","","","0.71073","MoKα","","0.1609","0.0989","","","0.1368","0.1555","","","","","","1.201","","","","has coordinates","185040","2020-10-21","18:00:00",""
"7226150","8.5716","0.0007","9.8507","0.0009","11.6901","0.001","103.615","0.007","103.475","0.007","102.305","0.007","894.64","0.15","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H10 Cl Hg I2 N3 O -","- C15 H10 Cl Hg I2 N3 O -","- C30 H20 Cl2 Hg2 I4 N6 O2 -","2","1","","Khavasi, Hamid Reza; Kavand, Sima","π-Stacking synthon repetitivity in coordination compounds","CrystEngComm","2016","18","25","4760","","10.1039/C6CE00838K","","","0.71073","MoKα","","0.0914","0.0763","","","0.1888","0.2029","","","","","","1.044","","","","has coordinates","185040","2020-10-21","18:00:00",""
"7226151","7.8587","0.0009","9.8104","0.001","11.5257","0.0013","76.986","0.008","80.953","0.009","75.314","0.009","832.75","0.16","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H10 Br2 Cl Hg N3 O -","- C15 H10 Br2 Cl Hg N3 O -","- C30 H20 Br4 Cl2 Hg2 N6 O2 -","2","1","","Khavasi, Hamid Reza; Kavand, Sima","π-Stacking synthon repetitivity in coordination compounds","CrystEngComm","2016","18","25","4760","","10.1039/C6CE00838K","","","0.71073","MoKα","","0.0756","0.0479","","","0.0975","0.1078","","","","","","1.049","","","","has coordinates","185040","2020-10-21","18:00:00",""
"7226152","7.7489","0.0011","9.6446","0.0012","11.3533","0.0013","77.812","0.009","81.537","0.01","76.841","0.01","803.2","0.18","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H10 Cl3 Hg N3 O -","- C15 H10 Cl3 Hg N3 O -","- C30 H20 Cl6 Hg2 N6 O2 -","2","1","","Khavasi, Hamid Reza; Kavand, Sima","π-Stacking synthon repetitivity in coordination compounds","CrystEngComm","2016","18","25","4760","","10.1039/C6CE00838K","","","0.71073","MoKα","","0.0625","0.0481","","","0.1119","0.1183","","","","","","1.085","","","","has coordinates","185040","2020-10-21","18:00:00",""
"7226153","4.8886","0.0011","6.6448","0.0015","13.171","0.003","90","","96.305","0.005","90","","425.26","0.17","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 Cu K2 O8 -","- C4 Cu K2 O8 -","- C8 Cu2 K4 O16 -","2","0.5","","Zhang, B.; Zhang, Y.; Zhang, J.; Yan, X.; Zhu, D.","Step by step crystal-to-crystal transformation from 1D K2Cu(C2O4)2(H2O)4(1) to 1D K2Cu(C2O4)2(H2O)2(2) and then 1D K2Cu(C2O4)2(3) by dehydration","CrystEngComm","2016","18","27","5062","","10.1039/C6CE00786D","","","0.71073","MoKα","","0.0367","0.0332","","","0.0753","0.0768","","","","","","1.174","","","","has coordinates","185041","2020-10-21","18:00:00",""
"7226154","6.904","0.002","8.66","0.003","8.929","0.003","107.95","0.004","99.637","0.004","97.637","0.004","490.9","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H4 Cu K2 O10 -","- C4 H4 Cu K2 O10 -","- C8 H8 Cu2 K4 O20 -","2","1","","Zhang, B.; Zhang, Y.; Zhang, J.; Yan, X.; Zhu, D.","Step by step crystal-to-crystal transformation from 1D K2Cu(C2O4)2(H2O)4(1) to 1D K2Cu(C2O4)2(H2O)2(2) and then 1D K2Cu(C2O4)2(3) by dehydration","CrystEngComm","2016","18","27","5062","","10.1039/C6CE00786D","","","0.71073","MoKα","","0.029","0.0283","","","0.0774","0.0781","","","","","","1.075","","","","has coordinates","185041","2020-10-21","18:00:00",""
"7226155","3.7345","0.0007","14.764","0.003","10.742","0.002","90","","93.23","0.03","90","","591.3","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H8 Cu K2 O12 -","- C4 H8 Cu K2 O12 -","- C8 H16 Cu2 K4 O24 -","2","0.5","","Zhang, B.; Zhang, Y.; Zhang, J.; Yan, X.; Zhu, D.","Step by step crystal-to-crystal transformation from 1D K2Cu(C2O4)2(H2O)4(1) to 1D K2Cu(C2O4)2(H2O)2(2) and then 1D K2Cu(C2O4)2(3) by dehydration","CrystEngComm","2016","18","27","5062","","10.1039/C6CE00786D","","","0.71073","MoKα","","0.0333","0.0304","","","0.0623","0.064","","","","","","1.132","","","","has coordinates","185041","2020-10-21","18:00:00",""
"7226156","8.094","0.002","8.186","0.002","13.626","0.004","104.044","0.015","92.51","0.015","99.071","0.014","861.7","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","4-diethylphosphono-4'-biphenyl carboxylic acid methyl ester","","- C18 H21 O5 P -","- C18 H21 O5 P -","- C36 H42 O10 P2 -","2","1","","Heering, Christian; Francis, Biju; Nateghi, Bahareh; Makhloufi, Gamall; Lüdeke, Steffen; Janiak, Christoph","Syntheses, structures and properties of group 12 element (Zn, Cd, Hg) coordination polymers with a mixed-functional phosphonate-biphenyl-carboxylate linker","CrystEngComm","2016","18","27","5209","","10.1039/C6CE00587J","","","0.71073","MoKα","","0.0719","0.0595","","","0.1632","0.175","","","","","","1.072","","","","has coordinates","185042","2020-10-21","18:00:00",""
"7226157","5.2848","0.0012","8.1031","0.0018","27.371","0.006","90","","91.766","0.012","90","","1171.6","0.5","173","2","173","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C13 H9 O5 P Zn -","- C13 H9 O5 P Zn -","- C52 H36 O20 P4 Zn4 -","4","0.5","","Heering, Christian; Francis, Biju; Nateghi, Bahareh; Makhloufi, Gamall; Lüdeke, Steffen; Janiak, Christoph","Syntheses, structures and properties of group 12 element (Zn, Cd, Hg) coordination polymers with a mixed-functional phosphonate-biphenyl-carboxylate linker","CrystEngComm","2016","18","27","5209","","10.1039/C6CE00587J","","","0.71073","MoKα","","0.083","0.0681","","","0.152","0.163","","","","","","1.053","","","","has coordinates,has disorder","185042","2020-10-21","18:00:00",""
"7226158","59.003","0.011","5.4907","0.0009","7.8375","0.0012","90","","93.644","0.009","90","","2534","0.7","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H10 Hg O5 P -","- C13 H10 Hg O5 P -","- C104 H80 Hg8 O40 P8 -","8","1","","Heering, Christian; Francis, Biju; Nateghi, Bahareh; Makhloufi, Gamall; Lüdeke, Steffen; Janiak, Christoph","Syntheses, structures and properties of group 12 element (Zn, Cd, Hg) coordination polymers with a mixed-functional phosphonate-biphenyl-carboxylate linker","CrystEngComm","2016","18","27","5209","","10.1039/C6CE00587J","","","0.71073","MoKα","","0.0932","0.0699","","","0.1646","0.1763","","","","","","1.03","","","","has coordinates","185042","2020-10-21","18:00:00",""
"7226159","32.838","0.012","5.3763","0.0019","7.913","0.003","90","","103.531","0.011","90","","1358.2","0.9","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H20 O14 P2 Zn5 -","- C26 H20 O14 P2 Zn5 -","- C52 H40 O28 P4 Zn10 -","2","0.5","","Heering, Christian; Francis, Biju; Nateghi, Bahareh; Makhloufi, Gamall; Lüdeke, Steffen; Janiak, Christoph","Syntheses, structures and properties of group 12 element (Zn, Cd, Hg) coordination polymers with a mixed-functional phosphonate-biphenyl-carboxylate linker","CrystEngComm","2016","18","27","5209","","10.1039/C6CE00587J","","","0.71073","MoKα","","0.051","0.0412","","","0.0819","0.0851","","","","","","1.011","","","","has coordinates","185042","2020-10-21","18:00:00",""
"7226160","6.0355","0.0004","7.298","0.0004","27.8833","0.0018","90","","90","","90","","1228.18","0.13","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C14 H11 I O2 -","- C14 H11 I O2 -","- C56 H44 I4 O8 -","4","1","","Heering, Christian; Francis, Biju; Nateghi, Bahareh; Makhloufi, Gamall; Lüdeke, Steffen; Janiak, Christoph","Syntheses, structures and properties of group 12 element (Zn, Cd, Hg) coordination polymers with a mixed-functional phosphonate-biphenyl-carboxylate linker","CrystEngComm","2016","18","27","5209","","10.1039/C6CE00587J","","","0.71073","MoKα","","0.0306","0.0287","","","0.0681","0.0687","","","","","","1.11","","","","has coordinates","185042","2020-10-21","18:00:00",""
"7226161","9.3961","0.0007","9.545","0.0007","27.323","0.0019","90","","90","","90","","2450.5","0.3","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C26 H16 Cd3 O10 P2 -","- C26 H16 Cd3 O10 P2 -","- C104 H64 Cd12 O40 P8 -","4","1","","Heering, Christian; Francis, Biju; Nateghi, Bahareh; Makhloufi, Gamall; Lüdeke, Steffen; Janiak, Christoph","Syntheses, structures and properties of group 12 element (Zn, Cd, Hg) coordination polymers with a mixed-functional phosphonate-biphenyl-carboxylate linker","CrystEngComm","2016","18","27","5209","","10.1039/C6CE00587J","","","0.71073","MoKα","","0.0322","0.032","","","0.0772","0.0773","","","","","","1.128","","","","has coordinates","185042","2020-10-21","18:00:00",""
"7226162","8.6093","0.0004","9.1855","0.0004","9.5881","0.0004","94.55","0.001","94.069","0.001","96.684","0.001","748.24","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Complex 1","","- C15 H20 O29 Tb2 -","- C15 H20 O29 Tb2 -","- C15 H20 O29 Tb2 -","1","0.5","","Jia, Yu-Qi; Feng, Si-Si; Shen, Mei-Lin; Lu, Li-Ping","Construction of multifunctional materials based on Tb3+and croconic acid, directed by K+cations: synthesis, structures, fluorescence, magnetic and ferroelectric behaviors","CrystEngComm","2016","18","28","5344","","10.1039/C6CE00308G","","","0.71073","MoKα","","0.037","0.0362","","","0.143","0.1439","","","","","","1.338","","","","has coordinates,has disorder","185043","2020-10-21","18:00:00",""
"7226163","20.232","0.004","9.072","0.0018","16.015","0.003","90","","116.84","0.03","90","","2622.8","1.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Complex 2","","- C10 H12 K O16 Tb -","- C10 H12 K O16 Tb -","- C40 H48 K4 O64 Tb4 -","4","0.5","","Jia, Yu-Qi; Feng, Si-Si; Shen, Mei-Lin; Lu, Li-Ping","Construction of multifunctional materials based on Tb3+and croconic acid, directed by K+cations: synthesis, structures, fluorescence, magnetic and ferroelectric behaviors","CrystEngComm","2016","18","28","5344","","10.1039/C6CE00308G","","","0.72","synchrotron","","0.0495","0.0481","","","0.1724","0.1771","","","","","","1.014","","","","has coordinates","185043","2020-10-21","18:00:00",""
"7226164","9.483","0.0019","13.725","0.003","14.272","0.003","90","","105.18","0.03","90","","1792.7","0.7","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Complex 3","","- C12 H16 N O15 Tb -","- C12 H16 N O15 Tb -","- C48 H64 N4 O60 Tb4 -","4","1","","Jia, Yu-Qi; Feng, Si-Si; Shen, Mei-Lin; Lu, Li-Ping","Construction of multifunctional materials based on Tb3+and croconic acid, directed by K+cations: synthesis, structures, fluorescence, magnetic and ferroelectric behaviors","CrystEngComm","2016","18","28","5344","","10.1039/C6CE00308G","","","0.72","synchrotron","","0.039","0.0387","","","0.1057","0.106","","","","","","1.116","","","","has coordinates","185043","2020-10-21","18:00:00",""
"7226165","16.031","0.003","12.505","0.003","8.4522","0.0017","90","","90","","90","","1694.4","0.6","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","","Complex 4","","- C10 H14 K O17 Tb -","- C10 H14 K O17 Tb -","- C40 H56 K4 O68 Tb4 -","4","0.5","","Jia, Yu-Qi; Feng, Si-Si; Shen, Mei-Lin; Lu, Li-Ping","Construction of multifunctional materials based on Tb3+and croconic acid, directed by K+cations: synthesis, structures, fluorescence, magnetic and ferroelectric behaviors","CrystEngComm","2016","18","28","5344","","10.1039/C6CE00308G","","","0.71073","MoKα","","0.0272","0.0227","","","0.0469","0.0489","","","","","","0.897","","","","has coordinates","185043","2020-10-21","18:00:00",""
"7226166","7.3614","0.0018","13.234","0.004","13.939","0.004","106.77","0.04","104.9","0.04","98.84","0.04","1217.8","0.8","105","2","105","2","","","","","","","","6","P -1","-P 1","2","","bis(2-amino-6-methylpyridinium) hexaaquazinc(II) disulfate dihydrate","","- C12 H34 N4 O16 S2 Zn -","- C12 H34 N4 O16 S2 Zn -","- C24 H68 N8 O32 S4 Zn2 -","2","1","","Saïd, Salem; Naïli, Houcine; Bataille, Thierry; Herrera, Raquel P.","Crystallisation, thermal analysis and acetal protection activity of new layered Zn(ii) hybrid polymorphs","CrystEngComm","2016","18","28","5365","","10.1039/C6CE00486E","","","0.71073","MoKα","","0.0367","0.0299","","","0.0757","0.079","","","","","","1.067","","","","has coordinates","185044","2020-10-21","18:00:00",""
"7226167","7.3453","0.0018","12.594","0.004","20.074","0.006","80.6","0.03","83.38","0.03","89.56","0.03","1819.7","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","bis(2-amino-6-methylpyridinium) hexaaquazinc(II) disulfate dihydrate","","- C12 H34 N4 O16 S2 Zn -","- C12 H34 N4 O16 S2 Zn -","- C36 H102 N12 O48 S6 Zn3 -","3","1.5","","Saïd, Salem; Naïli, Houcine; Bataille, Thierry; Herrera, Raquel P.","Crystallisation, thermal analysis and acetal protection activity of new layered Zn(ii) hybrid polymorphs","CrystEngComm","2016","18","28","5365","","10.1039/C6CE00486E","","","0.71073","MoKα","","0.0526","0.0407","","","0.1078","0.1117","","","","","","1.038","","","","has coordinates","185044","2020-10-21","18:00:00",""
"7226168","10.4863","0.0014","14.79","0.002","10.8544","0.0015","90","","116.161","0.002","90","","1511","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 Cl2 N4 O Pb -","- C13 H12 Cl2 N4 O Pb -","- C52 H48 Cl8 N16 O4 Pb4 -","4","1","","Mahmoudi, Ghodrat; Bauzá, Antonio; Frontera, Antonio; Garczarek, Piotr; Stilinović, Vladimir; Kirillov, Alexander M.; Kennedy, Alan; Ruiz-Pérez, Catalina","Metal‒organic and supramolecular lead(ii) networks assembled from isomeric nicotinoylhydrazone blocks: the effects of ligand geometry and counter-ion on topology and supramolecular assembly","CrystEngComm","2016","18","28","5375","","10.1039/C6CE00900J","","","0.71073","MoKα","","0.0223","0.0183","","","0.0403","0.0418","","","","","","1.032","","","","has coordinates","185045","2020-10-21","18:00:00",""
"7226169","9.0862","0.0004","9.3122","0.0004","11.5175","0.0005","84.905","0.001","72.809","0.001","62.775","0.001","826.61","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Tetranitratobis(2-acetylpyridylnicotinylhydrozone)dilead(II))","","- C13 H12 N6 O7 Pb -","- C13 H12 N6 O7 Pb -","- C26 H24 N12 O14 Pb2 -","2","1","","Mahmoudi, Ghodrat; Bauzá, Antonio; Frontera, Antonio; Garczarek, Piotr; Stilinović, Vladimir; Kirillov, Alexander M.; Kennedy, Alan; Ruiz-Pérez, Catalina","Metal‒organic and supramolecular lead(ii) networks assembled from isomeric nicotinoylhydrazone blocks: the effects of ligand geometry and counter-ion on topology and supramolecular assembly","CrystEngComm","2016","18","28","5375","","10.1039/C6CE00900J","","","0.71073","MoKα","","0.0198","0.0192","","","0.0484","0.0487","","","","","","1.079","","","","has coordinates","185045","2020-10-21","18:00:00",""
"7226170","7.5527","0.0002","14.5337","0.0005","16.8369","0.0004","102.817","0.002","94.897","0.002","98.141","0.002","1770.85","0.09","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H24 N12 O2 Pb2 S4 -","- C30 H24 N12 O2 Pb2 S4 -","- C60 H48 N24 O4 Pb4 S8 -","2","1","","Mahmoudi, Ghodrat; Bauzá, Antonio; Frontera, Antonio; Garczarek, Piotr; Stilinović, Vladimir; Kirillov, Alexander M.; Kennedy, Alan; Ruiz-Pérez, Catalina","Metal‒organic and supramolecular lead(ii) networks assembled from isomeric nicotinoylhydrazone blocks: the effects of ligand geometry and counter-ion on topology and supramolecular assembly","CrystEngComm","2016","18","28","5375","","10.1039/C6CE00900J","","","0.71073","MoKα","","0.0344","0.0248","","","0.0425","0.0454","","","","","","1.059","","","","has coordinates","185045","2020-10-21","18:00:00",""
"7226171","7.8658","0.0007","8.6864","0.0007","11.002","0.0009","100.321","0.004","92.891","0.005","95.189","0.004","734.82","0.11","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H12 Cl2 N4 O Pb -","- C13 H12 Cl2 N4 O Pb -","- C26 H24 Cl4 N8 O2 Pb2 -","2","1","","Mahmoudi, Ghodrat; Bauzá, Antonio; Frontera, Antonio; Garczarek, Piotr; Stilinović, Vladimir; Kirillov, Alexander M.; Kennedy, Alan; Ruiz-Pérez, Catalina","Metal‒organic and supramolecular lead(ii) networks assembled from isomeric nicotinoylhydrazone blocks: the effects of ligand geometry and counter-ion on topology and supramolecular assembly","CrystEngComm","2016","18","28","5375","","10.1039/C6CE00900J","","","0.71073","MoKα","","0.0182","0.0172","","","0.0434","0.0439","","","","","","1.034","","","","has coordinates","185045","2020-10-21","18:00:00",""
"7226172","9.0537","0.0003","23.1055","0.0008","7.8698","0.0003","90","","98.458","0.001","90","","1628.38","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 N6 O7 Pb -","- C13 H12 N6 O7 Pb -","- C52 H48 N24 O28 Pb4 -","4","1","","Mahmoudi, Ghodrat; Bauzá, Antonio; Frontera, Antonio; Garczarek, Piotr; Stilinović, Vladimir; Kirillov, Alexander M.; Kennedy, Alan; Ruiz-Pérez, Catalina","Metal‒organic and supramolecular lead(ii) networks assembled from isomeric nicotinoylhydrazone blocks: the effects of ligand geometry and counter-ion on topology and supramolecular assembly","CrystEngComm","2016","18","28","5375","","10.1039/C6CE00900J","","","0.71073","MoKα","","0.0437","0.029","","","0.0507","0.0538","","","","","","1.027","","","","has coordinates","185045","2020-10-21","18:00:00",""
"7226173","8.6135","0.0004","9.3532","0.0007","11.1952","0.001","87.356","0.007","87.566","0.005","82.906","0.005","893.46","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H12 N6 O Pb S2 -","- C15 H12 N6 O Pb S2 -","- C30 H24 N12 O2 Pb2 S4 -","2","1","","Mahmoudi, Ghodrat; Bauzá, Antonio; Frontera, Antonio; Garczarek, Piotr; Stilinović, Vladimir; Kirillov, Alexander M.; Kennedy, Alan; Ruiz-Pérez, Catalina","Metal‒organic and supramolecular lead(ii) networks assembled from isomeric nicotinoylhydrazone blocks: the effects of ligand geometry and counter-ion on topology and supramolecular assembly","CrystEngComm","2016","18","28","5375","","10.1039/C6CE00900J","","x-ray","0.71073","MoKα","","0.0363","0.0319","","","0.0773","0.0793","","","","","","1.147","","","","has coordinates","185045","2020-10-21","18:00:00",""
"7226185","17.988","0.0009","10.6195","0.0005","10.8053","0.0005","90","","123.369","0.002","90","","1723.8","0.15","90","","90","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C7 F5 N2 S2 -","- C7 F5 N2 S2 -","- C56 F40 N16 S16 -","8","1","","Domagała, Sławomir; Haynes, Delia A.","Experimental and theoretical charge density assessments for the 4-perfluoropyridyl- and 4-perflurophenyl-1,2,3,5-dithiadiazolyl radicals","CrystEngComm","2016","18","37","7116","","10.1039/C6CE01095D","","x-ray","0.71073","MOKα","","0.01","0.01","","","0.0114","0.0114","","","","","","1.984","","","","has coordinates","187047","2020-10-21","18:00:00",""
"7226186","17.781","0.0019","9.6259","0.001","11.3461","0.0012","90","","125.714","0.002","90","","1576.8","0.3","90","","90","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-perfluoropyridyl-1,2,3,5-dithiadiazolyl","","- C6 F4 N3 S2 -","- C6 F4 N3 S2 -","- C48 F32 N24 S16 -","8","1","","Domagała, Sławomir; Haynes, Delia A.","Experimental and theoretical charge density assessments for the 4-perfluoropyridyl- and 4-perflurophenyl-1,2,3,5-dithiadiazolyl radicals","CrystEngComm","2016","18","37","7116","","10.1039/C6CE01095D","","x-ray","0.71073","MOKα","","0.0195","0.0133","","","0.0174","0.0177","","","","","","0.926","","","","has coordinates","187047","2020-10-21","18:00:00",""
"7226187","7.794","0.002","9.057","0.003","9.169","0.003","90.38","0.03","91.24","0.02","107.59","0.02","616.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H7 N4 O7 Zn2 -","- C9 H7 N4 O7 Zn2 -","- C18 H14 N8 O14 Zn4 -","2","1","","Jia, Jia; Xu, Jianing; Wang, Shengyan; Wang, Pengcheng; Gao, Lijuan; Chai, Juan; Shen, Lanlan; Chen, Xiaobo; Fan, Yong; Wang, Li","Layer-structured coordination polymers based on 5-(1H-tetrazol-5-yl)isophthalic acid: structure, sensitization of lanthanide(iii) cations and small-molecule sensing","CrystEngComm","2016","18","37","7126","","10.1039/C6CE00883F","","","0.71073","MoKα","","0.0613","0.0472","","","0.1129","0.1192","","","","","","1.04","","","","has coordinates","187054","2020-10-21","18:00:00",""
"7226188","11.2006","0.0016","11.1967","0.0016","18.5221","0.0018","90","","121.7","0.006","90","","1976.3","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H14 N6 O5 Pb -","- C21 H14 N6 O5 Pb -","- C84 H56 N24 O20 Pb4 -","4","1","","Jia, Jia; Xu, Jianing; Wang, Shengyan; Wang, Pengcheng; Gao, Lijuan; Chai, Juan; Shen, Lanlan; Chen, Xiaobo; Fan, Yong; Wang, Li","Layer-structured coordination polymers based on 5-(1H-tetrazol-5-yl)isophthalic acid: structure, sensitization of lanthanide(iii) cations and small-molecule sensing","CrystEngComm","2016","18","37","7126","","10.1039/C6CE00883F","","","0.71073","MoKα","","0.0241","0.0208","","","0.0513","0.0525","","","","","","1.063","","","","has coordinates","187054","2020-10-21","18:00:00",""
"7226189","7.8513","0.0002","9.1456","0.0002","10.6941","0.0003","112.083","0.002","108.443","0.002","96.463","0.001","651.18","0.03","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H3 N4 O7 Pb2 -","- C9 H3 N4 O7 Pb2 -","- C18 H6 N8 O14 Pb4 -","2","1","","Jia, Jia; Xu, Jianing; Wang, Shengyan; Wang, Pengcheng; Gao, Lijuan; Chai, Juan; Shen, Lanlan; Chen, Xiaobo; Fan, Yong; Wang, Li","Layer-structured coordination polymers based on 5-(1H-tetrazol-5-yl)isophthalic acid: structure, sensitization of lanthanide(iii) cations and small-molecule sensing","CrystEngComm","2016","18","37","7126","","10.1039/C6CE00883F","","","0.71073","MoKα","","0.0481","0.0456","","","0.1273","0.1298","","","","","","1.041","","","","has coordinates","187054","2020-10-21","18:00:00",""
"7226207","9.8334","0.0005","10.2673","0.0006","15.0986","0.0009","87.742","0.005","89.51","0.004","66.545","0.005","1397.31","0.15","173","","173","","","","","","","","","7","P -1","-P 1","2","C1N","","","- C30 H24 Cu N4 O P S2 -","- C30 H24 Cu N4 O P S2 -","- C60 H48 Cu2 N8 O2 P2 S4 -","2","1","","Gholivand, Khodayar; Farshadfar, Kaveh; Roe, S. Mark; Hosseini, Mahdieh; Gholami, Akram","Investigation of structure-directing interactions within copper(i)thiocyanate complexes through X-ray analyses and non-covalent interaction (NCI) theoretical approach","CrystEngComm","2016","18","37","7104","","10.1039/C6CE01339B","","x-ray","1.54184","CuKα","","0.0364","0.0295","","","0.075","0.0778","","","","","","1.022","","","","has coordinates","187044","2020-10-21","18:00:00",""
"7226208","10.7768","0.0009","11.0362","0.0008","12.2584","0.0005","85.195","0.005","78.024","0.005","80.116","0.006","1403.3","0.17","173","","173","","","","","","","","","7","P -1","-P 1","2","C1S","","","- C30 H24 Cu N4 O P S2 -","- C30 H24 Cu N4 O P S2 -","- C60 H48 Cu2 N8 O2 P2 S4 -","2","1","","Gholivand, Khodayar; Farshadfar, Kaveh; Roe, S. Mark; Hosseini, Mahdieh; Gholami, Akram","Investigation of structure-directing interactions within copper(i)thiocyanate complexes through X-ray analyses and non-covalent interaction (NCI) theoretical approach","CrystEngComm","2016","18","37","7104","","10.1039/C6CE01339B","","x-ray","0.71073","MoKα","","0.0605","0.0444","","","0.0951","0.1072","","","","","","1.113","","","","has coordinates","187044","2020-10-21","18:00:00",""
"7226209","15.7005","0.0007","8.0099","0.0004","10.3633","0.0005","90","","94.374","0.004","90","","1299.49","0.11","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","C2P","","","- C12 H9 Cu N4 O2 S -","- C12 H9 Cu N4 O2 S -","- C48 H36 Cu4 N16 O8 S4 -","4","1","","Gholivand, Khodayar; Farshadfar, Kaveh; Roe, S. Mark; Hosseini, Mahdieh; Gholami, Akram","Investigation of structure-directing interactions within copper(i)thiocyanate complexes through X-ray analyses and non-covalent interaction (NCI) theoretical approach","CrystEngComm","2016","18","37","7104","","10.1039/C6CE01339B","","x-ray","1.54184","CuKα","","0.0488","0.0356","","","0.0866","0.0955","","","","","","1.035","","","","has coordinates","187044","2020-10-21","18:00:00",""
"7226210","9.8386","0.0007","10.1356","0.0006","14.9963","0.001","90.004","0.005","90.051","0.006","113.105","0.007","1375.48","0.17","173","","173","","","","","","","","","7","P -1","-P 1","2","C2N","","","- C30 H24 Cu N4 O2 P S -","- C30 H24 Cu N4 O2 P S -","- C60 H48 Cu2 N8 O4 P2 S2 -","2","1","","Gholivand, Khodayar; Farshadfar, Kaveh; Roe, S. Mark; Hosseini, Mahdieh; Gholami, Akram","Investigation of structure-directing interactions within copper(i)thiocyanate complexes through X-ray analyses and non-covalent interaction (NCI) theoretical approach","CrystEngComm","2016","18","37","7104","","10.1039/C6CE01339B","","x-ray","1.54184","CuKα","","0.043","0.0373","","","0.102","0.1078","","","","","","1.045","","","","has coordinates","187044","2020-10-21","18:00:00",""
"7226226","12.0282","0.0019","9.0364","0.0015","8.1578","0.0011","90","","90.601","0.009","90","","886.6","0.2","295","1","295","1","","","","","","","","4","P 1 21 1","P 2yb","4","","anhydrous sibutramine hydrochloride enantiomer","","- C17 H27 Cl2 N -","- C17 H27 Cl2 N -","- C34 H54 Cl4 N2 -","2","1","","Rosa, F.; Négrier, P.; Espeau, P.","Racemic compound and conglomerate of anhydrous sibutramine hydrochloride: a rare case of relative stability","CrystEngComm","2016","18","36","6903","","10.1039/C6CE01123C","","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","187043","2020-10-21","18:00:00",""
"7226232","60.91","0.007","60.91","0.007","60.91","0.007","90","","90","","90","","225978","4","296","2","296","2","","","","","","","","5","F 4 3 2","F 4 2 3","209","","DUT-63","","- C78 H48 Cu3 N2 O15 -","- C78 H48 Cu3 N2 O15 -","- C1248 H768 Cu48 N32 O240 -","16","0.166667","","Müller, Philipp; Grünker, Ronny; Bon, Volodymyr; Pfeffermann, Martin; Senkovska, Irena; Weiss, Manfred S.; Feng, Xinliang; Kaskel, Stefan","Topological control of 3,4-connected frameworks based on the Cu2-paddle-wheel node: tbo or pto, and why?","CrystEngComm","2016","18","42","8164","","10.1039/C6CE01513A","","x-ray","0.88561","synchrotron","","0.1126","0.054","","","0.1205","0.1394","","","","","","0.65","","","","has coordinates","188099","2020-10-21","18:00:00",""
"7226233","35.49","0.004","35.49","0.004","35.49","0.004","90","","90","","90","","44701","9","296","2","296","2","","","","","","","","5","P m -3 n","-P 4n 2 3","223","","DUT-64","","- C52 H32 Cu2 N1.33 O10 -","- C52 H32 Cu2 N1.33333 O10 -","- C312 H192 Cu12 N8 O60 -","6","0.125","","Müller, Philipp; Grünker, Ronny; Bon, Volodymyr; Pfeffermann, Martin; Senkovska, Irena; Weiss, Manfred S.; Feng, Xinliang; Kaskel, Stefan","Topological control of 3,4-connected frameworks based on the Cu2-paddle-wheel node: tbo or pto, and why?","CrystEngComm","2016","18","42","8164","","10.1039/C6CE01513A","","x-ray","0.88561","synchrotron","","0.1268","0.0771","","","0.2502","0.2861","","","","","","0.827","","","","has coordinates","188099","2020-10-21","18:00:00",""
"7226234","35.4","0.004","35.4","0.004","35.4","0.004","90","","90","","90","","44362","9","296","2","296","2","","","","","","","","5","P m -3 n","-P 4n 2 3","223","","DUT-124","","- C64 H48 Cu2 N1.33 O10 -","- C64 H48 Cu2 N1.33333 O10 -","- C384 H288 Cu12 N8 O60 -","6","0.125","","Müller, Philipp; Grünker, Ronny; Bon, Volodymyr; Pfeffermann, Martin; Senkovska, Irena; Weiss, Manfred S.; Feng, Xinliang; Kaskel, Stefan","Topological control of 3,4-connected frameworks based on the Cu2-paddle-wheel node: tbo or pto, and why?","CrystEngComm","2016","18","42","8164","","10.1039/C6CE01513A","","x-ray","0.88561","synchrotron","","0.1351","0.1101","","","0.3135","0.3458","","","","","","1.131","","","","has coordinates","188099","2020-10-21","18:00:00",""
"7226235","35.51","0.004","35.51","0.004","35.51","0.004","90","","90","","90","","44777","9","296","2","296","2","","","","","","","","5","P m -3 n","-P 4n 2 3","223","","DUT-125","","- C68 H48 Cu3 N5.33 O10 -","- C64.24 H42.24 Cu3 N5.89333 O10 -","- C385.44 H253.44 Cu18 N35.36 O60 -","6","0.125","","Müller, Philipp; Grünker, Ronny; Bon, Volodymyr; Pfeffermann, Martin; Senkovska, Irena; Weiss, Manfred S.; Feng, Xinliang; Kaskel, Stefan","Topological control of 3,4-connected frameworks based on the Cu2-paddle-wheel node: tbo or pto, and why?","CrystEngComm","2016","18","42","8164","","10.1039/C6CE01513A","","x-ray","0.895","synchrotron","","0.1009","0.0673","","","0.1999","0.2455","","","","","","1.06","","","","has coordinates","188099","2020-10-21","18:00:00",""
"7226236","35.49","0.004","35.49","0.004","35.49","0.004","90","","90","","90","","44701","9","296","2","296","2","","","","","","","","5","P m -3 n","-P 4n 2 3","223","","DUT-128","","- C82 H64 Cu3 N7.33 O10 -","- C82 H64 Cu3 N7.33333 O10 -","- C492 H384 Cu18 N44 O60 -","6","0.125","","Müller, Philipp; Grünker, Ronny; Bon, Volodymyr; Pfeffermann, Martin; Senkovska, Irena; Weiss, Manfred S.; Feng, Xinliang; Kaskel, Stefan","Topological control of 3,4-connected frameworks based on the Cu2-paddle-wheel node: tbo or pto, and why?","CrystEngComm","2016","18","42","8164","","10.1039/C6CE01513A","","x-ray","0.895","synchrotron","","0.1558","0.0998","","","0.2748","0.3243","","","","","","1.135","","","","has coordinates,has disorder","188099","2020-10-21","18:00:00",""
"7226237","6.4948","0.0013","8.222","0.0016","20.348","0.004","90","","90.842","0.002","90","","1086.5","0.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-chlorobenzaldehyde 2-(2-pyridinyl)hydrazone","","- C12 H10 Cl N3 -","- C12 H10 Cl N3 -","- C48 H40 Cl4 N12 -","4","1","","Beard, Lindsey E.; Ojala, Charles R.; Kassekert, Kara J.; Ojala, William H.","Molecular packing preferences in “bridge-flipped” isomeric aryl-2-pyridylhydrazones and 2-pyridinecarboxaldehyde arylhydrazones","CrystEngComm","2016","18","37","7036","","10.1039/C6CE01519K","","","0.71073","MoKα","","0.0513","0.0382","","","0.0942","0.1026","","","","","","1.041","","","","has coordinates","187049","2020-10-21","18:00:00",""
"7226238","11.9741","0.0017","4.533","0.0007","20.337","0.003","90","","93.807","0.002","90","","1101.4","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-pyridinecarboxaldehyde 2-(4-chlorophenyl)hydrazone","","- C12 H10 Cl N3 -","- C12 H10 Cl N3 -","- C48 H40 Cl4 N12 -","4","1","","Beard, Lindsey E.; Ojala, Charles R.; Kassekert, Kara J.; Ojala, William H.","Molecular packing preferences in “bridge-flipped” isomeric aryl-2-pyridylhydrazones and 2-pyridinecarboxaldehyde arylhydrazones","CrystEngComm","2016","18","37","7036","","10.1039/C6CE01519K","","","0.71073","MoKα","","0.0629","0.0386","","","0.0852","0.0952","","","","","","1.029","","","","has coordinates","187049","2020-10-21","18:00:00",""
"7226239","29.3899","0.0018","3.8643","0.0003","20.0344","0.0013","90","","108.118","0.005","90","","2162.5","0.3","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2pyridinecarboxaldehyde2(4chlorophenyl)hydrazone","","- C12 H10 Cl N3 -","- C12 H10 Cl N3 -","- C96 H80 Cl8 N24 -","8","2","","Beard, Lindsey E.; Ojala, Charles R.; Kassekert, Kara J.; Ojala, William H.","Molecular packing preferences in “bridge-flipped” isomeric aryl-2-pyridylhydrazones and 2-pyridinecarboxaldehyde arylhydrazones","CrystEngComm","2016","18","37","7036","","10.1039/C6CE01519K","","","1.54178","CuKα","","0.0862","0.0652","","","0.1341","0.1456","","","","","","1.101","","","","has coordinates","187049","2020-10-21","18:00:00",""
"7226240","16.787","0.004","3.9475","0.0009","17.596","0.004","90","","108.296","0.016","90","","1107.1","0.5","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2pyridinecarboxaldehyde2(4bromophenyl)hydrazone","","- C12 H10 Br N3 -","- C12 H10 Br N3 -","- C48 H40 Br4 N12 -","4","1","","Beard, Lindsey E.; Ojala, Charles R.; Kassekert, Kara J.; Ojala, William H.","Molecular packing preferences in “bridge-flipped” isomeric aryl-2-pyridylhydrazones and 2-pyridinecarboxaldehyde arylhydrazones","CrystEngComm","2016","18","37","7036","","10.1039/C6CE01519K","","","1.54184","CuKα","","0.0228","0.0222","","","0.0556","0.0567","","","","","","1.066","","","","has coordinates","187049","2020-10-21","18:00:00",""
"7226241","17.057","0.0007","3.867","0.0002","18.2283","0.0007","90","","115.093","0.002","90","","1088.85","0.09","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-pyrcarboxaldehyde-2-(4-CNphenyl)hydrazone","","- C13 H10 N4 -","- C13 H10 N4 -","- C52 H40 N16 -","4","1","","Beard, Lindsey E.; Ojala, Charles R.; Kassekert, Kara J.; Ojala, William H.","Molecular packing preferences in “bridge-flipped” isomeric aryl-2-pyridylhydrazones and 2-pyridinecarboxaldehyde arylhydrazones","CrystEngComm","2016","18","37","7036","","10.1039/C6CE01519K","","","1.54178","CuKα","","0.0995","0.0798","","","0.2227","0.2489","","","","","","1.077","","","","has coordinates","187049","2020-10-21","18:00:00",""
"7226242","13.1678","0.0011","4.2065","0.0004","20.2522","0.0018","90","","93.427","0.004","90","","1119.77","0.17","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2pyridinecarboxaldehyde 2(4-cyanophenyl)hydrazone","","- C13 H10 N4 -","- C13 H10 N4 -","- C52 H40 N16 -","4","1","","Beard, Lindsey E.; Ojala, Charles R.; Kassekert, Kara J.; Ojala, William H.","Molecular packing preferences in “bridge-flipped” isomeric aryl-2-pyridylhydrazones and 2-pyridinecarboxaldehyde arylhydrazones","CrystEngComm","2016","18","37","7036","","10.1039/C6CE01519K","","","1.54178","CuKα","","0.0435","0.04","","","0.1193","0.125","","","","","","1.135","","","","has coordinates","187049","2020-10-21","18:00:00",""
"7226243","12.552","0.005","3.962","0.003","25.17","0.02","90","","102.71","0.03","90","","1221.1","1.4","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-CNbenzaldehyde 2-(5Br-2pyridinyl)hydrazone","","- C13 H9 Br N4 -","- C13 H9 Br N4 -","- C52 H36 Br4 N16 -","4","1","","Beard, Lindsey E.; Ojala, Charles R.; Kassekert, Kara J.; Ojala, William H.","Molecular packing preferences in “bridge-flipped” isomeric aryl-2-pyridylhydrazones and 2-pyridinecarboxaldehyde arylhydrazones","CrystEngComm","2016","18","37","7036","","10.1039/C6CE01519K","","","1.54184","CuKα","","0.0489","0.0411","","","0.0882","0.0954","","","","","","1.128","","","","has coordinates","187049","2020-10-21","18:00:00",""
"7226244","6.7356","0.001","10.0422","0.0015","10.4886","0.0016","94.501","0.002","105.094","0.002","98.124","0.002","673.15","0.18","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","5-Br-2-pyrcarboxaldehyde-4-CNphenylhydrazoneH2O","","- C13 H11 Br N4 O -","- C13 H11 Br N4 O -","- C26 H22 Br2 N8 O2 -","2","1","","Beard, Lindsey E.; Ojala, Charles R.; Kassekert, Kara J.; Ojala, William H.","Molecular packing preferences in “bridge-flipped” isomeric aryl-2-pyridylhydrazones and 2-pyridinecarboxaldehyde arylhydrazones","CrystEngComm","2016","18","37","7036","","10.1039/C6CE01519K","","","0.71073","MoKα","","0.0332","0.0267","","","0.0597","0.0621","","","","","","1.046","","","","has coordinates","187049","2020-10-21","18:00:00",""
"7226264","8.8698","0.0002","10.69","0.0003","17.5273","0.0005","90","","96.988","0.003","90","","1649.56","0.08","100","2","100","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C31 H36 Au2 Cl2 N4 O P2 -","- C31 H36 Au2 Cl2 N4 O P2 -","- C62 H72 Au4 Cl4 N8 O2 P4 -","2","0.5","","Strelnik, Igor D.; Gurzhiy, Vladislav V.; Sizov, Vladimir V.; Musina, Elvira I.; Karasik, Andrey A.; Tunik, Sergey P.; Grachova, Elena V.","A stimuli-responsive Au(i) complex based on an aminomethylphosphine template: synthesis, crystalline phases and luminescence properties","CrystEngComm","2016","18","39","7629","","10.1039/C6CE01272H","","","0.71073","MoKα","","0.0342","0.0262","","","0.0472","0.0494","","","","","","1.053","","","","has coordinates,has disorder","188067","2020-10-21","18:00:00",""
"7226265","24.029","0.004","16.9105","0.0016","12.0433","0.0018","90","","124.55","0.02","90","","4030.6","1.4","100","2","100","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C34 H42 Au2 Cl2 N4 O2 P2 -","- C34 H42 Au2 Cl2 N4 O2 P2 -","- C136 H168 Au8 Cl8 N16 O8 P8 -","4","0.5","","Strelnik, Igor D.; Gurzhiy, Vladislav V.; Sizov, Vladimir V.; Musina, Elvira I.; Karasik, Andrey A.; Tunik, Sergey P.; Grachova, Elena V.","A stimuli-responsive Au(i) complex based on an aminomethylphosphine template: synthesis, crystalline phases and luminescence properties","CrystEngComm","2016","18","39","7629","","10.1039/C6CE01272H","","","0.71073","MoKα","","0.049","0.0352","","","0.082","0.0879","","","","","","1.057","","","","has coordinates,has disorder","188067","2020-10-21","18:00:00",""
"7226266","15.3277","0.0005","8.872","0.0002","14.8008","0.0006","90","","112.309","0.004","90","","1862.07","0.12","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C28 H30 Au2 Cl2 N4 P2 -","- C28 H30 Au2 Cl2 N4 P2 -","- C56 H60 Au4 Cl4 N8 P4 -","2","0.5","","Strelnik, Igor D.; Gurzhiy, Vladislav V.; Sizov, Vladimir V.; Musina, Elvira I.; Karasik, Andrey A.; Tunik, Sergey P.; Grachova, Elena V.","A stimuli-responsive Au(i) complex based on an aminomethylphosphine template: synthesis, crystalline phases and luminescence properties","CrystEngComm","2016","18","39","7629","","10.1039/C6CE01272H","","","1.54184","CuKα","","0.0508","0.0444","","","0.1093","0.1137","","","","","","1.052","","","","has coordinates","188067","2020-10-21","18:00:00",""
"7226267","5.9472","0.0011","7.7189","0.0016","17.425","0.003","92.183","0.008","95.095","0.008","106.851","0.008","760.8","0.3","150","2","150.01","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H48 N2 Na2 O10 S4 -","- C14 H48 N2 Na2 O10 S4 -","- C14 H48 N2 Na2 O10 S4 -","1","0.5","","Angeloski, Alexander; Hook, James M.; Bhadbhade, Mohan; Baker, Anthony T.; McDonagh, Andrew M.","Intramolecular H⋯S interactions in metal di-(isopropyl)dithiocarbamate complexes","CrystEngComm","2016","18","37","7070","","10.1039/C6CE01475E","","","0.71073","MoKα","","0.0451","0.0323","","","0.0655","0.0702","","","","","","1.036","","","","has coordinates","187048","2020-10-21","18:00:00",""
"7226268","10.2754","0.0003","16.2306","0.0004","8.8043","0.0003","90","","111.265","0.003","90","","1368.37","0.08","120","2","120","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C16 H36 Fe N10 Ni O6 -","- C16 H36 Fe N10 Ni O6 -","- C32 H72 Fe2 N20 Ni2 O12 -","2","0.25","","Nowicka, Beata; Heczko, Michał; Reczyński, Mateusz; Rams, Michał; Gaweł, Bartłomiej; Nitek, Wojciech; Sieklucka, Barbara","Exploration of a new building block for the construction of cyano-bridged solvatomagnetic assemblies: [Ni(cyclam)]3+","CrystEngComm","2016","18","37","7011","","10.1039/C6CE01524G","","x-ray","0.71073","MoKα","","0.0462","0.0307","","","0.0654","0.0731","","","","","","1.067","","","","has coordinates","187052","2020-10-21","18:00:00",""
"7226269","10.5579","0.0005","16.3314","0.0006","8.8748","0.0004","90","","112.254","0.003","90","","1416.26","0.11","120","2","120","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C16 H36 Cr N10 Ni O6 -","- C16 H36 Cr N10 Ni O6 -","- C32 H72 Cr2 N20 Ni2 O12 -","2","0.25","","Nowicka, Beata; Heczko, Michał; Reczyński, Mateusz; Rams, Michał; Gaweł, Bartłomiej; Nitek, Wojciech; Sieklucka, Barbara","Exploration of a new building block for the construction of cyano-bridged solvatomagnetic assemblies: [Ni(cyclam)]3+","CrystEngComm","2016","18","37","7011","","10.1039/C6CE01524G","","","0.71073","MoKα","","0.0585","0.0367","","","0.0618","0.0679","","","","","","1.044","","","","has coordinates","187052","2020-10-21","18:00:00",""
"7226270","9.8002","0.0014","11.9983","0.0017","10.126","0.0011","90","","102.646","0.019","90","","1161.8","0.3","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 Cr N10 Ni -","- C16 Cr N10 Ni -","- C32 Cr2 N20 Ni2 -","2","1","","Nowicka, Beata; Heczko, Michał; Reczyński, Mateusz; Rams, Michał; Gaweł, Bartłomiej; Nitek, Wojciech; Sieklucka, Barbara","Exploration of a new building block for the construction of cyano-bridged solvatomagnetic assemblies: [Ni(cyclam)]3+","CrystEngComm","2016","18","37","7011","","10.1039/C6CE01524G","powder diffraction","x-ray","1.5418","CuKaradiation","","0.2233","0.1852","","0.1895","0.1839","","","","3.37","","","","","","","has coordinates","187052","2020-10-21","18:00:00",""
"7226290","8.4368","0.001","8.4962","0.0002","11.8803","0.001","100.565","0.011","107.57","","105.95","","746.94","0.12","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H6 F4 I2 N2 -","- C13 H6 F4 I2 N2 -","- C26 H12 F8 I4 N4 -","2","1","","Nemec, Vinko; Cinčić, Dominik","Uncommon halogen bond motifs in cocrystals of aromatic amines and 1,4-diiodotetrafluorobenzene","CrystEngComm","2016","18","39","7425","","10.1039/C6CE01703G","","","0.71073","MoKα","","0.0432","0.0265","","","0.0563","0.0592","","","","","","0.882","","","","has coordinates","188069","2020-10-21","18:00:00",""
"7226291","7.5682","0.0017","13.372","0.003","14.198","0.002","90","","105.457","0.001","90","","1384.9","0.5","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H6 F4 I2 N2 -","- C11 H6 F4 I2 N2 -","- C44 H24 F16 I8 N8 -","4","1","","Nemec, Vinko; Cinčić, Dominik","Uncommon halogen bond motifs in cocrystals of aromatic amines and 1,4-diiodotetrafluorobenzene","CrystEngComm","2016","18","39","7425","","10.1039/C6CE01703G","","","0.71073","MoKα","","0.0708","0.053","","","0.1326","0.1387","","","","","","0.922","","","","has coordinates","188069","2020-10-21","18:00:00",""
"7226292","6.1553","0.0003","9.6907","0.0006","10.8382","0.0005","113.014","0.005","96.686","0.004","104.202","0.005","560.28","0.06","295","","295","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 F4 I2 N2 O2 -","- C22 H18 F4 I2 N2 O2 -","- C22 H18 F4 I2 N2 O2 -","1","0.5","","Nemec, Vinko; Cinčić, Dominik","Uncommon halogen bond motifs in cocrystals of aromatic amines and 1,4-diiodotetrafluorobenzene","CrystEngComm","2016","18","39","7425","","10.1039/C6CE01703G","","","0.71073","MoKα","","0.0225","0.0199","","","0.0487","0.0492","","","","","","1.078","","","","has coordinates","188069","2020-10-21","18:00:00",""
"7226293","8.43","0.0007","5.6597","0.0004","31.14","0.002","90","","94.781","0.007","90","","1480.56","0.19","295","","295","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H22 F4 I2 N2 O2 -","- C32 H22 F4 I2 N2 O2 -","- C64 H44 F8 I4 N4 O4 -","2","0.5","","Nemec, Vinko; Cinčić, Dominik","Uncommon halogen bond motifs in cocrystals of aromatic amines and 1,4-diiodotetrafluorobenzene","CrystEngComm","2016","18","39","7425","","10.1039/C6CE01703G","","","0.71073","MoKα","","0.0693","0.0333","","","0.0905","0.0956","","","","","","0.898","","","","has coordinates","188069","2020-10-21","18:00:00",""
"7226294","9.4529","0.0006","10.6844","0.0008","12.1719","0.0017","96.727","0.002","112.766","0.004","103.57","0.006","1071.87","0.19","295","","295","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H12 F4 I2 N4 O4 -","- C18 H12 F4 I2 N4 O4 -","- C36 H24 F8 I4 N8 O8 -","2","1","","Nemec, Vinko; Cinčić, Dominik","Uncommon halogen bond motifs in cocrystals of aromatic amines and 1,4-diiodotetrafluorobenzene","CrystEngComm","2016","18","39","7425","","10.1039/C6CE01703G","","","0.71073","MoKα","","0.1048","0.0373","","","0.0795","0.141","","","","","","0.818","","","","has coordinates","188069","2020-10-21","18:00:00",""
"7226295","6.0259","0.0003","8.6495","0.0004","20.3527","0.0013","90","","93.507","0.005","90","","1058.82","0.1","295","","295","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 F4 I2 N4 O2 -","- C18 H16 F4 I2 N4 O2 -","- C36 H32 F8 I4 N8 O4 -","2","0.5","","Nemec, Vinko; Cinčić, Dominik","Uncommon halogen bond motifs in cocrystals of aromatic amines and 1,4-diiodotetrafluorobenzene","CrystEngComm","2016","18","39","7425","","10.1039/C6CE01703G","","","0.71073","MoKα","","0.0489","0.0286","","","0.0666","0.0916","","","","","","0.995","","","","has coordinates","188069","2020-10-21","18:00:00",""
"7226296","11.2748","0.0002","6.6501","0.0001","14.17","0.0002","90","","108.596","0.001","90","","1006.98","0.03","173","2","173","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C14 H20 Br2 Hg N2 Si2 -","- C14 H20 Br2 Hg N2 Si2 -","- C28 H40 Br4 Hg2 N4 Si4 -","2","0.5","","Choi, Eunkyung; Lee, Haeri; Noh, Tae Hwan; Jung, Ok-Sang","In situ crystalline transformation of bis(halo)mercury(ii) coordination polymers to ionic chloro-bridged-bis(halo)mercury(ii) species via UV irradiation in chloroform media","CrystEngComm","2016","18","37","6997","","10.1039/C6CE01378C","","","0.71073","MoKα","","0.0509","0.0468","","","0.1097","0.1113","","","","","","1.008","","","","has coordinates,has disorder","187045","2020-10-21","18:00:00",""
"7226297","12.8706","0.0007","8.2506","0.0005","13.8348","0.001","90","","113.876","0.005","90","","1343.4","0.16","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C14 H22 Br5 Cl Hg2 N2 Si2 -","- C14 H22 Br5 Cl Hg2 N2 Si2 -","- C28 H44 Br10 Cl2 Hg4 N4 Si4 -","2","0.5","","Choi, Eunkyung; Lee, Haeri; Noh, Tae Hwan; Jung, Ok-Sang","In situ crystalline transformation of bis(halo)mercury(ii) coordination polymers to ionic chloro-bridged-bis(halo)mercury(ii) species via UV irradiation in chloroform media","CrystEngComm","2016","18","37","6997","","10.1039/C6CE01378C","","","0.71073","MoKα","","0.1226","0.0594","","","0.1345","0.1436","","","","","","0.693","","","","has coordinates","187045","2020-10-21","18:00:00",""
"7226298","9.5172","0.0004","13.6206","0.0004","16.3559","0.0005","90","","98.7","0.002","90","","2095.82","0.13","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H20 Hg I2 N2 Si2 -","- C14 H20 Hg I2 N2 Si2 -","- C56 H80 Hg4 I8 N8 Si8 -","4","0.5","","Choi, Eunkyung; Lee, Haeri; Noh, Tae Hwan; Jung, Ok-Sang","In situ crystalline transformation of bis(halo)mercury(ii) coordination polymers to ionic chloro-bridged-bis(halo)mercury(ii) species via UV irradiation in chloroform media","CrystEngComm","2016","18","37","6997","","10.1039/C6CE01378C","","","0.71073","MoKα","","0.0431","0.0423","","","0.1131","0.1141","","","","","","1.046","","","","has coordinates","187045","2020-10-21","18:00:00",""
"7226299","8.3261","0.0002","22.1706","0.0004","8.2547","0.0002","90","","111.042","0.001","90","","1422.16","0.06","194","2","194","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 Cl2 Hg2 I4 N2 Si2 -","- C14 H22 Cl2 Hg2 I4 N2 Si2 -","- C28 H44 Cl4 Hg4 I8 N4 Si4 -","2","0.5","","Choi, Eunkyung; Lee, Haeri; Noh, Tae Hwan; Jung, Ok-Sang","In situ crystalline transformation of bis(halo)mercury(ii) coordination polymers to ionic chloro-bridged-bis(halo)mercury(ii) species via UV irradiation in chloroform media","CrystEngComm","2016","18","37","6997","","10.1039/C6CE01378C","","","0.71073","MoKα","","0.0434","0.0372","","","0.0958","0.0988","","","","","","1.046","","","","has coordinates","187045","2020-10-21","18:00:00",""
"7226308","14.7508","0.0009","16.1947","0.001","17.6138","0.0011","75.197","0.002","79.775","0.003","80.709","0.003","3973.5","0.4","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","A-2-4 HOOC-CVT, 2-H2N-4-Cl-5-Br-6-H3C-pyrimidine","","- C151 H191 Br3 Cl3 N17 O36 -","- C151 H191 Br3 Cl3 N17 O36 -","- C151 H191 Br3 Cl3 N17 O36 -","1","0.5","","Aakeröy, Christer B.; Chopade, Prashant D.; Desper, John","Ethylene-bridged asymmetric cavitands as building blocks for supramolecular polymers and capsules","CrystEngComm","2016","18","39","7457","","10.1039/C6CE00860G","","","0.71073","MoKα","","0.0979","0.0664","","","0.1843","0.2085","","","","","","1.069","","","","has coordinates,has disorder","188070","2020-10-21","18:00:00",""
"7226309","29.225","0.003","11.4565","0.0011","23.889","0.002","90","","99.091","0.005","90","","7898","1.3","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","A-2-6 CVT-COOH, 4,4'-bipyridyl","","- C85 H102 N5 O19 -","- C85 H102 N5 O19 -","- C340 H408 N20 O76 -","4","0.5","","Aakeröy, Christer B.; Chopade, Prashant D.; Desper, John","Ethylene-bridged asymmetric cavitands as building blocks for supramolecular polymers and capsules","CrystEngComm","2016","18","39","7457","","10.1039/C6CE00860G","","","0.71073","MoKα","","0.1113","0.0807","","","0.2301","0.2602","","","","","","1.067","","","","has coordinates,has disorder","188070","2020-10-21","18:00:00",""
"7226322","11.6009","0.0007","13.0363","0.0008","15.2941","0.0009","106.333","0.002","96.656","0.002","106.04","0.002","2085.7","0.2","120.15","","120.15","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H23 I N O2 Se -","- C22 H23 I N O2 Se -","- C88 H92 I4 N4 O8 Se4 -","4","2","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Howard, Judith A. K.; Bezzubov, Stanislav I.; Alfimov, Michael V.; Gromov, Sergey P.","Peculiarities of styryl dyes of the benzoselenazole series crystal packings and their influence on solid phase [2 + 2] photocycloaddition reaction with single crystal retention","CrystEngComm","2016","18","39","7506","","10.1039/C6CE01426G","","","0.71073","MoKα","","0.0733","0.0619","","","0.1524","0.1586","","","","","","1.038","","","","has coordinates","188068","2020-10-21","18:00:00",""
"7226323","11.8766","0.0003","12.7576","0.0004","15.3353","0.0004","105.477","0.001","97.106","0.001","105.185","0.001","2113.78","0.1","120","","120.15","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H23 I N O3 Se -","- C22 H23 I N O3 Se -","- C88 H92 I4 N4 O12 Se4 -","4","2","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Howard, Judith A. K.; Bezzubov, Stanislav I.; Alfimov, Michael V.; Gromov, Sergey P.","Peculiarities of styryl dyes of the benzoselenazole series crystal packings and their influence on solid phase [2 + 2] photocycloaddition reaction with single crystal retention","CrystEngComm","2016","18","39","7506","","10.1039/C6CE01426G","","","0.71073","MoKα","","0.0331","0.0258","","","0.0594","0.0609","","","","","","1.019","","","","has coordinates,has disorder","188068","2020-10-21","18:00:00",""
"7226324","7.3704","0.0004","10.8423","0.0005","14.5069","0.0007","107.977","0.002","100.703","0.002","93.136","0.002","1075.69","0.09","120.15","","120.15","","","","","","","","","6","P -1","-P 1","2","","","","- C21 H24 I N O3.3 Se -","- C21 H24 I N O3.3 Se -","- C42 H48 I2 N2 O6.6 Se2 -","2","1","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Howard, Judith A. K.; Bezzubov, Stanislav I.; Alfimov, Michael V.; Gromov, Sergey P.","Peculiarities of styryl dyes of the benzoselenazole series crystal packings and their influence on solid phase [2 + 2] photocycloaddition reaction with single crystal retention","CrystEngComm","2016","18","39","7506","","10.1039/C6CE01426G","","","0.71073","MoKα","","0.0342","0.0234","","","0.0433","0.0461","","","","","","1.0319","","","","has coordinates,has disorder","188068","2020-10-21","18:00:00",""
"7226325","15.211","0.0003","14.7644","0.0003","21.0641","0.0004","90","","108.775","0.001","90","","4478.89","0.16","120","","120.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 I3 N O2 Se -","- C19 H20 I3 N O2 Se -","- C152 H160 I24 N8 O16 Se8 -","8","2","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Howard, Judith A. K.; Bezzubov, Stanislav I.; Alfimov, Michael V.; Gromov, Sergey P.","Peculiarities of styryl dyes of the benzoselenazole series crystal packings and their influence on solid phase [2 + 2] photocycloaddition reaction with single crystal retention","CrystEngComm","2016","18","39","7506","","10.1039/C6CE01426G","","","0.71073","MoKα","","0.0537","0.0283","","","0.0487","0.0543","","","","","","0.8934","","","","has coordinates","193656","2020-10-21","18:00:00",""
"7226326","7.5216","0.0004","29.2202","0.0016","11.113","0.0006","90","","93.721","0.005","90","","2437.3","0.2","120.15","","120.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H27 N O5 S Se -","- C26 H27 N O5 S Se -","- C104 H108 N4 O20 S4 Se4 -","4","1","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Howard, Judith A. K.; Bezzubov, Stanislav I.; Alfimov, Michael V.; Gromov, Sergey P.","Peculiarities of styryl dyes of the benzoselenazole series crystal packings and their influence on solid phase [2 + 2] photocycloaddition reaction with single crystal retention","CrystEngComm","2016","18","39","7506","","10.1039/C6CE01426G","","","0.71073","MoKα","","0.087","0.052","","","0.0958","0.1078","","","","","","1.034","","","","has coordinates,has disorder","188068","2020-10-21","18:00:00",""
"7226327","7.5964","0.0007","29.113","0.003","10.9942","0.0009","90","","96.454","0.004","90","","2416","0.4","120","2","123.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H27 N O5 S Se -","- C26 H27 N O5 S Se -","- C104 H108 N4 O20 S4 Se4 -","4","1","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Howard, Judith A. K.; Bezzubov, Stanislav I.; Alfimov, Michael V.; Gromov, Sergey P.","Peculiarities of styryl dyes of the benzoselenazole series crystal packings and their influence on solid phase [2 + 2] photocycloaddition reaction with single crystal retention","CrystEngComm","2016","18","39","7506","","10.1039/C6CE01426G","","","0.71073","MoKα","","0.1764","0.0557","","","0.0661","0.0813","","","","","","0.724","","","","has coordinates,has disorder","188068","2020-10-21","18:00:00",""
"7226328","7.2675","0.0002","12.9365","0.0006","15.3429","0.0006","108.909","0.004","92.576","0.003","96.008","0.003","1352.36","0.1","153.15","","153.15","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H32 N O7 S Se -","- C29 H32 N O7 S Se -","- C58 H64 N2 O14 S2 Se2 -","2","1","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Howard, Judith A. K.; Bezzubov, Stanislav I.; Alfimov, Michael V.; Gromov, Sergey P.","Peculiarities of styryl dyes of the benzoselenazole series crystal packings and their influence on solid phase [2 + 2] photocycloaddition reaction with single crystal retention","CrystEngComm","2016","18","39","7506","","10.1039/C6CE01426G","","","0.71073","MoKα","","0.0687","0.0535","","","0.1073","0.114","","","","","","1.097","","","","has coordinates,has disorder","188068","2020-10-21","18:00:00",""
"7226329","7.2613","0.0003","12.9355","0.0007","15.3053","0.0009","109.055","0.005","92.175","0.004","96.618","0.004","1345.4","0.13","120.15","","120.15","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H32 N O7 S Se -","- C29 H32 N O7 S Se -","- C58 H64 N2 O14 S2 Se2 -","2","1","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Howard, Judith A. K.; Bezzubov, Stanislav I.; Alfimov, Michael V.; Gromov, Sergey P.","Peculiarities of styryl dyes of the benzoselenazole series crystal packings and their influence on solid phase [2 + 2] photocycloaddition reaction with single crystal retention","CrystEngComm","2016","18","39","7506","","10.1039/C6CE01426G","","","0.71073","MoKα","","0.0546","0.0416","","","0.0909","0.0961","","","","","","1.037","","","","has coordinates","188068","2020-10-21","18:00:00",""
"7226330","6.241","0.004","9.506","0.007","18.651","0.013","99.873","0.015","93.89","0.015","105.674","0.014","1042","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H27 F6 N2 O3 P -","- C17 H27 F6 N2 O3 P -","- C34 H54 F12 N4 O6 P2 -","2","1","","Su, Padi Yi-Syong; Chang, Chia-Ju; Lee, Kwang-Ming","C‒H⋯O or N‒H⋯O hydrogen bonded biomimetic dimerized rectangular secondary structural motifs formed by L-shaped fatty acid-substituted nicotinamide salts with PF6−, BF4−, NO3−and Br−anions","CrystEngComm","2016","18","39","7516","","10.1039/C6CE01511E","","","0.71073","MoKα","","0.1085","0.0748","","","0.2235","0.2456","","","","","","1.086","","","","has coordinates","188071","2020-10-21","18:00:00",""
"7226331","5.3095","0.0018","7.917","0.003","23.201","0.008","84.701","0.007","83.488","0.007","80.058","0.008","951.8","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H27 N3 O6 -","- C17 H27 N3 O6 -","- C34 H54 N6 O12 -","2","1","","Su, Padi Yi-Syong; Chang, Chia-Ju; Lee, Kwang-Ming","C‒H⋯O or N‒H⋯O hydrogen bonded biomimetic dimerized rectangular secondary structural motifs formed by L-shaped fatty acid-substituted nicotinamide salts with PF6−, BF4−, NO3−and Br−anions","CrystEngComm","2016","18","39","7516","","10.1039/C6CE01511E","","","0.71073","MoKα","","0.1806","0.0685","","","0.1474","0.2048","","","","","","0.971","","","","has coordinates","188071","2020-10-21","18:00:00",""
"7226332","4.6813","0.0003","8.4396","0.0005","23.3456","0.0015","80.193","0.002","88.216","0.002","80.574","0.002","896.59","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H27 Br N2 O3 -","- C17 H27 Br N2 O3 -","- C34 H54 Br2 N4 O6 -","2","1","","Su, Padi Yi-Syong; Chang, Chia-Ju; Lee, Kwang-Ming","C‒H⋯O or N‒H⋯O hydrogen bonded biomimetic dimerized rectangular secondary structural motifs formed by L-shaped fatty acid-substituted nicotinamide salts with PF6−, BF4−, NO3−and Br−anions","CrystEngComm","2016","18","39","7516","","10.1039/C6CE01511E","","","0.71073","MoKα","","0.029","0.0248","","","0.0678","0.0844","","","","","","1.23","","","","has coordinates","188071","2020-10-21","18:00:00",""
"7226333","6.9325","0.0004","9.5052","0.0006","15.5569","0.001","100.851","0.003","90.364","0.002","104.223","0.002","974.44","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H27 B F4 N2 O3 -","- C17 H27 B F4 N2 O3 -","- C34 H54 B2 F8 N4 O6 -","2","1","","Su, Padi Yi-Syong; Chang, Chia-Ju; Lee, Kwang-Ming","C‒H⋯O or N‒H⋯O hydrogen bonded biomimetic dimerized rectangular secondary structural motifs formed by L-shaped fatty acid-substituted nicotinamide salts with PF6−, BF4−, NO3−and Br−anions","CrystEngComm","2016","18","39","7516","","10.1039/C6CE01511E","","","0.71073","MoKα","","0.0465","0.0398","","","0.1109","0.1233","","","","","","1.081","","","","has coordinates","188071","2020-10-21","18:00:00",""
"7226334","7.0445","0.0002","17.1474","0.0005","10.9776","0.0004","90","","107.251","0.004","90","","1266.39","0.07","110","2","110","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(Z)-3-(4-(dimethylamino)phenyl)-2-(pyridin-4-yl)acrylonitrile","","- C16 H15 N3 -","- C16 H15 N3 -","- C64 H60 N12 -","4","1","","Percino, M. Judith; Cerón, Margarita; Ceballos, Paulina; Soriano-Moro, Guillermo; Rodríguez, Oscar; Chapela, Víctor M.; Castro, M. Eugenia; Bonilla-Cruz, J.; Siegler, Maxime A.","Changes in the luminescence emission of α,β-unsaturated acrylonitrile derivatives: morphology, polymorphism and solvent effect","CrystEngComm","2016","18","39","7554","","10.1039/C6CE01391K","","","1.54178","CuKα","","0.0446","0.0393","","","0.0989","0.1034","","","","","","1.037","","","","has coordinates","188072","2020-10-21","18:00:00",""
"7226336","8.9957","0.0011","10.0831","0.0013","10.4133","0.0014","89.154","0.005","71.747","0.005","64.264","0.005","799.87","0.18","190","2","190","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 Cl2 N4 O2 -","- C16 H12 Cl2 N4 O2 -","- C32 H24 Cl4 N8 O4 -","2","1","","Hutchins, Kristin M.; Kummer, Katherine A.; Groeneman, Ryan H.; Reinheimer, Eric W.; Sinnwell, Michael A.; Swenson, Dale C.; MacGillivray, Leonard R.","Thermal expansion properties of three isostructural co-crystals composed of isosteric components: interplay between halogen and hydrogen bonds","CrystEngComm","2016","18","43","8354","","10.1039/C6CE01674J","","","0.71073","MoKα","","0.041","0.0312","","","0.0783","0.0842","","","","","","1.055","","","","has coordinates","188081","2020-10-21","18:00:00",""
"7226337","9.0188","0.0009","10.1722","0.001","10.4719","0.001","88.254","0.005","71.579","0.005","64.025","0.005","812.82","0.15","290","2","290","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 Cl2 N4 O2 -","- C16 H12 Cl2 N4 O2 -","- C32 H24 Cl4 N8 O4 -","2","1","","Hutchins, Kristin M.; Kummer, Katherine A.; Groeneman, Ryan H.; Reinheimer, Eric W.; Sinnwell, Michael A.; Swenson, Dale C.; MacGillivray, Leonard R.","Thermal expansion properties of three isostructural co-crystals composed of isosteric components: interplay between halogen and hydrogen bonds","CrystEngComm","2016","18","43","8354","","10.1039/C6CE01674J","","","0.71073","MoKα","","0.0948","0.0445","","","0.0977","0.1201","","","","","","1.026","","","","has coordinates","188081","2020-10-21","18:00:00",""
"7226338","9.0278","0.0009","10.2654","0.001","10.6009","0.0011","75.203","0.005","70.936","0.005","64.122","0.005","828.05","0.15","190","2","190","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 Br2 N4 O2 -","- C16 H12 Br2 N4 O2 -","- C32 H24 Br4 N8 O4 -","2","1","","Hutchins, Kristin M.; Kummer, Katherine A.; Groeneman, Ryan H.; Reinheimer, Eric W.; Sinnwell, Michael A.; Swenson, Dale C.; MacGillivray, Leonard R.","Thermal expansion properties of three isostructural co-crystals composed of isosteric components: interplay between halogen and hydrogen bonds","CrystEngComm","2016","18","43","8354","","10.1039/C6CE01674J","","","0.71073","MoKα","","0.0287","0.021","","","0.0493","0.0517","","","","","","1.049","","","","has coordinates","188081","2020-10-21","18:00:00",""
"7226339","9.0497","0.0009","10.3158","0.001","10.669","0.0011","76.068","0.005","70.779","0.005","64.511","0.005","843.19","0.15","290","2","290","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 Br2 N4 O2 -","- C16 H12 Br2 N4 O2 -","- C32 H24 Br4 N8 O4 -","2","1","","Hutchins, Kristin M.; Kummer, Katherine A.; Groeneman, Ryan H.; Reinheimer, Eric W.; Sinnwell, Michael A.; Swenson, Dale C.; MacGillivray, Leonard R.","Thermal expansion properties of three isostructural co-crystals composed of isosteric components: interplay between halogen and hydrogen bonds","CrystEngComm","2016","18","43","8354","","10.1039/C6CE01674J","","","0.71073","MoKα","","0.0353","0.0239","","","0.0558","0.0603","","","","","","1.02","","","","has coordinates","188081","2020-10-21","18:00:00",""
"7226340","9.2387","0.0009","10.497","0.001","10.8284","0.0011","88.215","0.005","69.551","0.005","64.302","0.005","877.57","0.16","190","2","190","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 I2 N4 O2 -","- C16 H12 I2 N4 O2 -","- C32 H24 I4 N8 O4 -","2","1","","Hutchins, Kristin M.; Kummer, Katherine A.; Groeneman, Ryan H.; Reinheimer, Eric W.; Sinnwell, Michael A.; Swenson, Dale C.; MacGillivray, Leonard R.","Thermal expansion properties of three isostructural co-crystals composed of isosteric components: interplay between halogen and hydrogen bonds","CrystEngComm","2016","18","43","8354","","10.1039/C6CE01674J","","","0.71073","MoKα","","0.0198","0.0175","","","0.0408","0.0421","","","","","","1.072","","","","has coordinates","205752","2020-10-21","18:00:00",""
"7226341","9.2547","0.0009","10.6163","0.0011","10.8929","0.0011","74.976","0.005","69.459","0.005","64.157","0.005","894.76","0.16","290","2","290","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 I2 N4 O2 -","- C16 H12 I2 N4 O2 -","- C32 H24 I4 N8 O4 -","2","1","","Hutchins, Kristin M.; Kummer, Katherine A.; Groeneman, Ryan H.; Reinheimer, Eric W.; Sinnwell, Michael A.; Swenson, Dale C.; MacGillivray, Leonard R.","Thermal expansion properties of three isostructural co-crystals composed of isosteric components: interplay between halogen and hydrogen bonds","CrystEngComm","2016","18","43","8354","","10.1039/C6CE01674J","","","0.71073","MoKα","","0.0288","0.0235","","","0.0509","0.054","","","","","","1.046","","","","has coordinates","188081","2020-10-21","18:00:00",""
"7226342","3.7762","0.0004","5.8688","0.0007","10.3157","0.0012","90.165","0.005","95.411","0.005","99.256","0.005","224.59","0.04","190","2","190","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H8 N4 -","- C10 H8 N4 -","- C10 H8 N4 -","1","0.5","","Hutchins, Kristin M.; Kummer, Katherine A.; Groeneman, Ryan H.; Reinheimer, Eric W.; Sinnwell, Michael A.; Swenson, Dale C.; MacGillivray, Leonard R.","Thermal expansion properties of three isostructural co-crystals composed of isosteric components: interplay between halogen and hydrogen bonds","CrystEngComm","2016","18","43","8354","","10.1039/C6CE01674J","","","0.71073","MoKα","","0.0477","0.0366","","","0.0897","0.1012","","","","","","1.059","","","","has coordinates","188081","2020-10-21","18:00:00",""
"7226343","3.8373","0.0006","5.9282","0.0007","10.3247","0.0014","90.671","0.007","95.227","0.008","100.693","0.008","229.73","0.06","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H8 N4 -","- C10 H8 N4 -","- C10 H8 N4 -","1","0.5","","Hutchins, Kristin M.; Kummer, Katherine A.; Groeneman, Ryan H.; Reinheimer, Eric W.; Sinnwell, Michael A.; Swenson, Dale C.; MacGillivray, Leonard R.","Thermal expansion properties of three isostructural co-crystals composed of isosteric components: interplay between halogen and hydrogen bonds","CrystEngComm","2016","18","43","8354","","10.1039/C6CE01674J","","","0.71073","MoKα","","0.0953","0.0582","","","0.1378","0.1709","","","","","","1.073","","","","has coordinates","188081","2020-10-21","18:00:00",""
"7226345","10.393","0.002","14.018","0.003","14.24","0.003","117.59","0.03","93.18","0.03","98.27","0.03","1801.9","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H66 Mg3 N12 O28 -","- C74 H66 Mg3 N12 O28 -","- C74 H66 Mg3 N12 O28 -","1","0.5","","Capon, Patrick K.; Burgun, Alexandre; Coghlan, Campbell J.; Crees, Rachel S.; Doonan, Christian J.; Sumby, Christopher J.","Hydrogen adsorption in azolium and metalated N-heterocyclic carbene containing MOFs","CrystEngComm","2016","18","37","7003","","10.1039/C6CE01549B","","","0.7108","Synchrotron","","0.065","0.0532","","","0.1332","0.1422","","","","","","1.055","","","","has coordinates","187050","2020-10-21","18:00:00",""
"7226346","20.7373","0.0016","17.9433","0.0014","10.9131","0.0008","90","","91.475","0.007","90","","4059.4","0.5","150","2","150","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C40.25 H35.15 Br0.1 Cu2.1 N6.65 O14.45 -","- C38 H29.9 Br0.1 Cu2.1 N5.9 O13.7 -","- C152 H119.6 Br0.4 Cu8.4 N23.6 O54.8 -","4","0.5","","Capon, Patrick K.; Burgun, Alexandre; Coghlan, Campbell J.; Crees, Rachel S.; Doonan, Christian J.; Sumby, Christopher J.","Hydrogen adsorption in azolium and metalated N-heterocyclic carbene containing MOFs","CrystEngComm","2016","18","37","7003","","10.1039/C6CE01549B","","","0.71073","MoKα","","0.0788","0.0583","","","0.1579","0.1685","","","","","","1.074","","","","has coordinates,has disorder","187050","2020-10-21","18:00:00",""
"7226347","11.014","0.002","13.053","0.003","14.145","0.003","63.88","0.03","79.87","0.03","89.57","0.03","1791.8","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C72.5 H60.5 Mn3 N11.5 O26.5 -","- C68 H50 Mn3 N8 O19 -","- C68 H50 Mn3 N8 O19 -","1","0.5","","Capon, Patrick K.; Burgun, Alexandre; Coghlan, Campbell J.; Crees, Rachel S.; Doonan, Christian J.; Sumby, Christopher J.","Hydrogen adsorption in azolium and metalated N-heterocyclic carbene containing MOFs","CrystEngComm","2016","18","37","7003","","10.1039/C6CE01549B","","","0.7108","Synchrotron","","0.1094","0.0788","","","0.2133","0.233","","","","","","1.06","","","","has coordinates","187050","2020-10-21","18:00:00",""
"7226348","20.889","0.004","18.004","0.004","10.913","0.002","90","","91.36","0.03","90","","4103.1","1.4","100","2","100","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C72.25 H50.25 Br1.2 Cu1.2 N10.55 O26.15 Zn4 -","- C70 H45 Br1.2 Cu1.2 N9.8 O25.4 Zn4 -","- C140 H90 Br2.4 Cu2.4 N19.6 O50.8 Zn8 -","2","0.25","","Capon, Patrick K.; Burgun, Alexandre; Coghlan, Campbell J.; Crees, Rachel S.; Doonan, Christian J.; Sumby, Christopher J.","Hydrogen adsorption in azolium and metalated N-heterocyclic carbene containing MOFs","CrystEngComm","2016","18","37","7003","","10.1039/C6CE01549B","","","0.7108","Synchrotron","","0.0771","0.076","","","0.2121","0.2127","","","","","","1.055","","","","has coordinates,has disorder","187050","2020-10-21","18:00:00",""
"7226349","23.128","0.005","14.043","0.003","23.412","0.005","90","","95.37","0.03","90","","7571","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C75.5 H69.5 Co3 N12.5 O28.5 -","- C68 H52 Co3 N10 O26 -","- C272 H208 Co12 N40 O104 -","4","0.5","","Capon, Patrick K.; Burgun, Alexandre; Coghlan, Campbell J.; Crees, Rachel S.; Doonan, Christian J.; Sumby, Christopher J.","Hydrogen adsorption in azolium and metalated N-heterocyclic carbene containing MOFs","CrystEngComm","2016","18","37","7003","","10.1039/C6CE01549B","","","0.7108","Synchrotron","","0.0483","0.0453","","","0.1181","0.1199","","","","","","1.048","","","","has coordinates","187050","2020-10-21","18:00:00",""
"7226356","14.174","0.004","18.194","0.005","26.052","0.006","90","","90","","90","","6718","3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C73 H67 Na3 O26 -","- C73 H67 Na3 O26 -","- C292 H268 Na12 O104 -","4","1","","Martins, Felipe Terra; da Silva, Cleiton Moreira; Vasconcelos, Géssica Adriana; Gontijo Vaz, Boniek; Vieira, Tarcisio da Silva; Queiroz Júnior, Luiz Henrique Keng; de Fátima, Ângelo","Lower rim dimerization of a calixarene through the encapsulation of sodium ions","CrystEngComm","2016","18","37","6987","","10.1039/C6CE01387B","","","0.71073","MoKα","","0.1782","0.0677","","","0.1638","0.211","","","","","","0.982","","","","has coordinates","187046","2020-10-21","18:00:00",""
"7226357","14.84","0.002","17.911","0.003","31.01","0.005","79.663","0.011","86.268","0.011","82.469","0.012","8031","2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H61.5 Na3 O24.25 -","- C72 H61.5 Na3 O24.25 -","- C288 H246 Na12 O97 -","4","2","","Martins, Felipe Terra; da Silva, Cleiton Moreira; Vasconcelos, Géssica Adriana; Gontijo Vaz, Boniek; Vieira, Tarcisio da Silva; Queiroz Júnior, Luiz Henrique Keng; de Fátima, Ângelo","Lower rim dimerization of a calixarene through the encapsulation of sodium ions","CrystEngComm","2016","18","37","6987","","10.1039/C6CE01387B","","","0.71073","MoKα","","0.3084","0.1435","","","0.3559","0.405","","","","","","0.878","","","","has coordinates","287753","2023-11-23","09:34:45",""
"7226358","21.041","0.004","21.041","0.004","16.456","0.003","90","","90","","90","","7285","2","296","2","296","2","","","","","","","","5","P 42 b c","P 4c -2ab","106","","","","- C76 H72 Na4 O26 S2 -","- C76 H72 Na4 O26 S2 -","- C304 H288 Na16 O104 S8 -","4","0.5","","Martins, Felipe Terra; da Silva, Cleiton Moreira; Vasconcelos, Géssica Adriana; Gontijo Vaz, Boniek; Vieira, Tarcisio da Silva; Queiroz Júnior, Luiz Henrique Keng; de Fátima, Ângelo","Lower rim dimerization of a calixarene through the encapsulation of sodium ions","CrystEngComm","2016","18","37","6987","","10.1039/C6CE01387B","","","0.71073","MoKα","","0.1946","0.0689","","","0.1234","0.1666","","","","","","0.973","","","","has coordinates","187046","2020-10-21","18:00:00",""
"7226359","21.0771","0.0007","21.0771","0.0007","16.6303","0.0005","90","","90","","90","","7387.9","0.4","296","2","296","2","","","","","","","","5","P 42 b c","P 4c -2ab","106","","","","- C78 H74 N2 Na4 O26 -","- C78 H74 N2 Na4 O26 -","- C312 H296 N8 Na16 O104 -","4","0.5","","Martins, Felipe Terra; da Silva, Cleiton Moreira; Vasconcelos, Géssica Adriana; Gontijo Vaz, Boniek; Vieira, Tarcisio da Silva; Queiroz Júnior, Luiz Henrique Keng; de Fátima, Ângelo","Lower rim dimerization of a calixarene through the encapsulation of sodium ions","CrystEngComm","2016","18","37","6987","","10.1039/C6CE01387B","","","0.71073","MoKα","","0.1725","0.0662","","","0.1548","0.2141","","","","","","1.005","","","","has coordinates","187046","2020-10-21","18:00:00",""
"7226360","23.156","0.003","23.156","0.003","13.081","0.0016","90","","90","","90","","7014","1.5","296","2","296","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C62 H64 Cl N30 O25 -","- C62 H64 Cl N30 O27 -","- C248 H256 Cl4 N120 O108 -","4","0.5","","Li, Jie; Zhao, Yanxia; Dong, Yunhong; Yu, Yang; Cao, Liping; Wu, Biao","Supramolecular organic frameworks of cucurbit[n]uril-based [2]pseudorotaxanes in the crystalline state","CrystEngComm","2016","18","41","7929","","10.1039/C6CE01320A","","","0.71073","MoKα","","0.1112","0.0985","","","0.2363","0.2457","","","","","","1.106","","","","has coordinates,has disorder","188080","2020-10-21","18:00:00",""
"7226361","28.597","0.002","27.378","0.002","19.9414","0.0015","90","","124.639","0.001","90","","12845.3","1.6","296","2","296","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C99.5 H112.5 N56 O41 -","- C100 H115 N56 O41 -","- C400 H460 N224 O164 -","4","0.5","","Li, Jie; Zhao, Yanxia; Dong, Yunhong; Yu, Yang; Cao, Liping; Wu, Biao","Supramolecular organic frameworks of cucurbit[n]uril-based [2]pseudorotaxanes in the crystalline state","CrystEngComm","2016","18","41","7929","","10.1039/C6CE01320A","","","0.71073","MoKα","","0.1041","0.0801","","","0.2379","0.2553","","","","","","1.111","","","","has coordinates,has disorder","188080","2020-10-21","18:00:00",""
"7226362","24.382","0.002","23.126","0.002","27.053","0.003","90","","109.521","0.001","90","","14377","2","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C126 H142 Br6 N40 O28 -","- C126 H142 Br6 N40 O28 -","- C504 H568 Br24 N160 O112 -","4","1","","Li, Jie; Zhao, Yanxia; Dong, Yunhong; Yu, Yang; Cao, Liping; Wu, Biao","Supramolecular organic frameworks of cucurbit[n]uril-based [2]pseudorotaxanes in the crystalline state","CrystEngComm","2016","18","41","7929","","10.1039/C6CE01320A","","","0.71073","MoKα","","0.1245","0.0779","","","0.2163","0.2408","","","","","","1.059","","","","has coordinates,has disorder","188080","2020-10-21","18:00:00",""
"7226392","12.0794","0.0012","8.0555","0.0009","20.207","0.003","90","","90","","90","","1966.3","0.4","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C9 H20 Ho2 O19 -","- C9 H6 Ho2 O19 -","- C36 H24 Ho8 O76 -","4","0.5","","Delgado, Fernando S.; Lorenzo-Luís, Pablo; Pasán, Jorge; Cañadillas-Delgado, Laura; Fabelo, Oscar; Hernández-Molina, María; Lozano-Gorrín, Antonio D.; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Crystal growth and structural remarks on malonate-based lanthanide coordination polymers","CrystEngComm","2016","18","40","7831","","10.1039/C6CE01360K","","x-ray","0.71073","Mokα","","0.0376","0.0333","","","0.0814","0.0831","","","","","","1.227","","","","has coordinates","188096","2020-10-21","18:00:00",""
"7226393","17.15","0.002","12.284","0.002","11.144","0.002","90","","127.549","0.013","90","","1861.3","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H18 O18 Sm2 -","- C9 H6 O18 Sm2 -","- C36 H24 O72 Sm8 -","4","0.5","","Delgado, Fernando S.; Lorenzo-Luís, Pablo; Pasán, Jorge; Cañadillas-Delgado, Laura; Fabelo, Oscar; Hernández-Molina, María; Lozano-Gorrín, Antonio D.; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Crystal growth and structural remarks on malonate-based lanthanide coordination polymers","CrystEngComm","2016","18","40","7831","","10.1039/C6CE01360K","","x-ray","0.71073","Mokα","","0.043","0.0321","","","0.0797","0.0897","","","","","","1.16","","","","has coordinates","188096","2020-10-21","18:00:00",""
"7226394","11.3106","0.0007","12.6698","0.0012","14.7397","0.0015","90","","90","","90","","2112.2","0.3","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C9 H22 Ce2 O20 -","- C9 H6 Ce2 O20 -","- C36 H24 Ce8 O80 -","4","0.5","","Delgado, Fernando S.; Lorenzo-Luís, Pablo; Pasán, Jorge; Cañadillas-Delgado, Laura; Fabelo, Oscar; Hernández-Molina, María; Lozano-Gorrín, Antonio D.; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Crystal growth and structural remarks on malonate-based lanthanide coordination polymers","CrystEngComm","2016","18","40","7831","","10.1039/C6CE01360K","","x-ray","0.71073","Mokα","","0.0624","0.0415","","","0.0926","0.1024","","","","","","1.109","","","","has coordinates","188096","2020-10-21","18:00:00",""
"7226395","7.6281","0.0008","12.8621","0.0013","8.8824","0.0011","90","","101.279","0.008","90","","854.65","0.17","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H16 Ce2 O17 -","- C9 H6 Ce2 O17 -","- C18 H12 Ce4 O34 -","2","1","","Delgado, Fernando S.; Lorenzo-Luís, Pablo; Pasán, Jorge; Cañadillas-Delgado, Laura; Fabelo, Oscar; Hernández-Molina, María; Lozano-Gorrín, Antonio D.; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Crystal growth and structural remarks on malonate-based lanthanide coordination polymers","CrystEngComm","2016","18","40","7831","","10.1039/C6CE01360K","","x-ray","0.71073","Mokα","","0.0337","0.0297","","","0.0653","0.0667","","","","","","1.078","","","","has coordinates","188096","2020-10-21","18:00:00",""
"7226403","17.874","0.006","27.273","0.008","11.528","0.005","90","","105.453","0.008","90","","5416","3","173","2","173","2","","","","","","","","5","C 1 m 1","C -2y","8","","","","- C12 H28 Cd Cl4 N2 -","- C12 H28 Cd Cl4 N2 -","- C144 H336 Cd12 Cl48 N24 -","12","3","","Qian, Kun; Shao, Feng; Yan, Zhihong; Pang, Jie; Chen, Xiaodong; Yang, Changxin","A perovskite-type cage compound as a temperature-triggered dielectric switchable material","CrystEngComm","2016","18","40","7671","","10.1039/C6CE01421F","","","0.71073","MoKα","","0.0589","0.0452","","","0.1047","0.1118","","","","","","1.087","","","","has coordinates","188090","2020-10-21","18:00:00",""
"7226404","27.432","0.005","8.4349","0.0017","8.0648","0.0016","90","","90","","90","","1866.1","0.6","298","2","298","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C12 H28 Cd Cl4 N2 -","- C12 H28 Cd Cl4 N2 -","- C48 H112 Cd4 Cl16 N8 -","4","0.5","","Qian, Kun; Shao, Feng; Yan, Zhihong; Pang, Jie; Chen, Xiaodong; Yang, Changxin","A perovskite-type cage compound as a temperature-triggered dielectric switchable material","CrystEngComm","2016","18","40","7671","","10.1039/C6CE01421F","","","0.71073","MoKα","","0.0439","0.0362","","","0.0592","0.0609","","","","","","1.083","","","","has coordinates,has disorder","188090","2020-10-21","18:00:00",""
"7226405","10.5847","0.0006","8.8751","0.0005","16.2063","0.0009","90","","106.21","0.006","90","","1461.9","0.15","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H13 N3 S2 -","- C15 H13 N3 S2 -","- C60 H52 N12 S8 -","4","1","","Phukan, Nithi; Baruah, Jubaraj B.","Conformational adjustments over synthons of urea and thiourea based assemblies","CrystEngComm","2016","18","40","7753","","10.1039/C6CE01326K","","","0.71073","MoKα","","0.0757","0.0531","","","0.085","0.0956","","","","","","1.017","","","","has coordinates","188093","2020-10-21","18:00:00",""
"7226406","22.884","0.003","8.3045","0.0006","15.2009","0.0012","90","","101.047","0.008","90","","2835.3","0.5","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H13 N3 S2 -","- C15 H13 N3 S2 -","- C120 H104 N24 S16 -","8","1","","Phukan, Nithi; Baruah, Jubaraj B.","Conformational adjustments over synthons of urea and thiourea based assemblies","CrystEngComm","2016","18","40","7753","","10.1039/C6CE01326K","","","0.71073","MoKα","","0.0432","0.036","","","0.1107","0.1222","","","","","","1.092","","","","has coordinates","188093","2020-10-21","18:00:00",""
"7226407","7.6645","0.0006","7.8706","0.0007","12.6909","0.0012","107.745","0.006","99.244","0.007","97.038","0.006","707.6","0.11","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H13 N3 S2 -","- C15 H13 N3 S2 -","- C30 H26 N6 S4 -","2","1","","Phukan, Nithi; Baruah, Jubaraj B.","Conformational adjustments over synthons of urea and thiourea based assemblies","CrystEngComm","2016","18","40","7753","","10.1039/C6CE01326K","","","0.71073","MoKα","","0.0527","0.0363","","","0.1056","0.117","","","","","","1.061","","","","has coordinates","188093","2020-10-21","18:00:00",""
"7226408","7.6357","0.0005","8.2456","0.0008","11.8464","0.0006","97.352","0.006","104.485","0.005","96.981","0.007","707","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H13 N3 S2 -","- C15 H13 N3 S2 -","- C30 H26 N6 S4 -","2","1","","Phukan, Nithi; Baruah, Jubaraj B.","Conformational adjustments over synthons of urea and thiourea based assemblies","CrystEngComm","2016","18","40","7753","","10.1039/C6CE01326K","","","0.71073","MoKα","","0.05","0.0382","","","0.0648","0.0709","","","","","","1.077","","","","has coordinates","188093","2020-10-21","18:00:00",""
"7226409","12.4078","0.0012","15.0565","0.0012","15.0342","0.0011","90","","97.887","0.008","90","","2782.1","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 N3 S2 -","- C15 H11 N3 S2 -","- C120 H88 N24 S16 -","8","2","","Phukan, Nithi; Baruah, Jubaraj B.","Conformational adjustments over synthons of urea and thiourea based assemblies","CrystEngComm","2016","18","40","7753","","10.1039/C6CE01326K","","","0.71073","MoKα","","0.1438","0.0954","","","0.1797","0.1939","","","","","","1.094","","","","has coordinates","188093","2020-10-21","18:00:00",""
"7226410","8.079","0.005","9.344","0.006","9.702","0.006","100.825","0.013","94.448","0.013","105.221","0.012","687.9","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H13 N3 O S -","- C15 H13 N3 O S -","- C30 H26 N6 O2 S2 -","2","1","","Phukan, Nithi; Baruah, Jubaraj B.","Conformational adjustments over synthons of urea and thiourea based assemblies","CrystEngComm","2016","18","40","7753","","10.1039/C6CE01326K","","","0.71073","MoKα","","0.0621","0.0394","","","0.0751","0.0793","","","","","","1.078","","","","has coordinates","188093","2020-10-21","18:00:00",""
"7226411","15.4084","0.0008","7.7845","0.0004","27.4631","0.0014","90","","90","","90","","3294.1","0.3","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H16 Cl N3 O2 S -","- C15 H16 Cl N3 O2 S -","- C120 H128 Cl8 N24 O16 S8 -","8","1","","Phukan, Nithi; Baruah, Jubaraj B.","Conformational adjustments over synthons of urea and thiourea based assemblies","CrystEngComm","2016","18","40","7753","","10.1039/C6CE01326K","","","0.71073","MoKα","","0.0866","0.0397","","","0.0578","0.0654","","","","","","1.085","","","","has coordinates","188093","2020-10-21","18:00:00",""
"7226412","8.335","0.0016","7.321","0.0018","14.859","0.003","90","","91.577","0.013","90","","906.4","0.3","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H16 Cl N3 O6 S -","- C15 H16 Cl N3 O6 S -","- C30 H32 Cl2 N6 O12 S2 -","2","1","","Phukan, Nithi; Baruah, Jubaraj B.","Conformational adjustments over synthons of urea and thiourea based assemblies","CrystEngComm","2016","18","40","7753","","10.1039/C6CE01326K","","","0.71073","MoKα","","0.096","0.0626","","","0.1456","0.1797","","","","","","1.057","","","","has coordinates","188093","2020-10-21","18:00:00",""
"7226413","8.3706","0.0012","18.536","0.002","21.658","0.003","90","","99.199","0.01","90","","3317.2","0.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H49 Cl N4 O S -","- C31 H49 Cl N4 O S -","- C124 H196 Cl4 N16 O4 S4 -","4","1","","Phukan, Nithi; Baruah, Jubaraj B.","Conformational adjustments over synthons of urea and thiourea based assemblies","CrystEngComm","2016","18","40","7753","","10.1039/C6CE01326K","","","0.71073","MoKα","","0.1229","0.0609","","","0.133","0.1531","","","","","","1.094","","","","has coordinates","188093","2020-10-21","18:00:00",""
"7226414","8.4037","0.0012","10.2399","0.0015","19.874","0.003","97.051","0.007","95.211","0.007","94.056","0.007","1684.5","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H51 Cl N4 O2 S -","- C31 H51 Cl N4 O2 S -","- C62 H102 Cl2 N8 O4 S2 -","2","1","","Phukan, Nithi; Baruah, Jubaraj B.","Conformational adjustments over synthons of urea and thiourea based assemblies","CrystEngComm","2016","18","40","7753","","10.1039/C6CE01326K","","","0.71073","MoKα","","0.0738","0.0497","","","0.0946","0.1024","","","","","","1.055","","","","has coordinates","188093","2020-10-21","18:00:00",""
"7226415","11.5868","0.0016","15.626","0.002","19.065","0.002","90","","98.02","0.009","90","","3418.1","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H51 Cl N4 O2 S -","- C31 H51 Cl N4 O2 S -","- C124 H204 Cl4 N16 O8 S4 -","4","1","","Phukan, Nithi; Baruah, Jubaraj B.","Conformational adjustments over synthons of urea and thiourea based assemblies","CrystEngComm","2016","18","40","7753","","10.1039/C6CE01326K","","","0.71073","MoKα","","0.1919","0.0902","","","0.1919","0.2324","","","","","","1.096","","","","has coordinates","188093","2020-10-21","18:00:00",""
"7226416","8.4428","0.0008","22.3348","0.0019","7.7119","0.0007","90","","106.99","0.006","90","","1390.8","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N3 O S -","- C15 H13 N3 O S -","- C60 H52 N12 O4 S4 -","4","1","","Phukan, Nithi; Baruah, Jubaraj B.","Conformational adjustments over synthons of urea and thiourea based assemblies","CrystEngComm","2016","18","40","7753","","10.1039/C6CE01326K","","","0.71073","MoKα","","0.0718","0.0439","","","0.0725","0.0811","","","","","","1.071","","","","has coordinates","188093","2020-10-21","18:00:00",""
"7226417","16.1738","0.0012","16.3065","0.0012","17.2609","0.0012","111.457","0.0019","110.595","0.002","96.01","0.002","3821.1","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H60 La2 N6 O18 S6 -","- C60 H60 La2 N6 O18 S6 -","- C120 H120 La4 N12 O36 S12 -","2","1","","Rong, Jiewei; Zhang, Wenwei; Bai, Junfeng","Highly thermostable lanthanide(iii) MOFs constructed from 4,4′,4′′-s-triazine-2,4,6-triyl-tribenzoate ligand: synthesis, structure, and tunable white-light emission","CrystEngComm","2016","18","40","7728","","10.1039/C6CE01585A","","","0.71073","MoKα","","0.101","0.0869","","","0.2309","0.2367","","","","","","1.064","","","","has coordinates,has disorder","188098","2020-10-21","18:00:00",""
"7226418","16.1339","0.0006","16.3437","0.0006","17.2177","0.0006","111.101","0.001","110.695","0.001","96.1766","0.0012","3816.2","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H60 Ce2 N6 O18 S6 -","- C60 H60 Ce2 N6 O18 S6 -","- C120 H120 Ce4 N12 O36 S12 -","2","1","","Rong, Jiewei; Zhang, Wenwei; Bai, Junfeng","Highly thermostable lanthanide(iii) MOFs constructed from 4,4′,4′′-s-triazine-2,4,6-triyl-tribenzoate ligand: synthesis, structure, and tunable white-light emission","CrystEngComm","2016","18","40","7728","","10.1039/C6CE01585A","","","0.71073","MoKα","","0.0737","0.0548","","","0.1619","0.1716","","","","","","1.148","","","","has coordinates,has disorder","188098","2020-10-21","18:00:00",""
"7226419","16.123","0.0008","16.3385","0.0008","17.2058","0.0008","110.634","0.001","110.904","0.001","96.368","0.001","3814.6","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H60 N6 O18 Pr2 S6 -","- C60 H60 N6 O18 Pr2 S6 -","- C120 H120 N12 O36 Pr4 S12 -","2","1","","Rong, Jiewei; Zhang, Wenwei; Bai, Junfeng","Highly thermostable lanthanide(iii) MOFs constructed from 4,4′,4′′-s-triazine-2,4,6-triyl-tribenzoate ligand: synthesis, structure, and tunable white-light emission","CrystEngComm","2016","18","40","7728","","10.1039/C6CE01585A","","","0.71073","mokα","","0.0572","0.05","","","0.1496","0.156","","","","","","0.965","","","","has coordinates,has disorder","189829","2020-10-21","18:00:00",""
"7226420","16.0585","0.0007","16.3646","0.0007","17.1438","0.0007","110.363","0.0007","111.01","0.0007","96.5967","0.0008","3792.2","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C119 H118 N12 O36 S11 Sm4 -","- C119 H118 N12 O36 S11 Sm4 -","- C119 H118 N12 O36 S11 Sm4 -","1","0.5","","Rong, Jiewei; Zhang, Wenwei; Bai, Junfeng","Highly thermostable lanthanide(iii) MOFs constructed from 4,4′,4′′-s-triazine-2,4,6-triyl-tribenzoate ligand: synthesis, structure, and tunable white-light emission","CrystEngComm","2016","18","40","7728","","10.1039/C6CE01585A","","","0.71073","MoKα","","0.074","0.0502","","","0.1567","0.1777","","","","","","1.123","","","","has coordinates,has disorder","188098","2020-10-21","18:00:00",""
"7226421","16.0536","0.0006","16.3481","0.0007","17.1341","0.0007","110.266","0.001","111.024","0.001","96.714","0.001","3785.3","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C65 H73 Eu2 N7 O20 S7 -","- C65 H73 Eu2 N7 O20 S7 -","- C130 H146 Eu4 N14 O40 S14 -","2","1","","Rong, Jiewei; Zhang, Wenwei; Bai, Junfeng","Highly thermostable lanthanide(iii) MOFs constructed from 4,4′,4′′-s-triazine-2,4,6-triyl-tribenzoate ligand: synthesis, structure, and tunable white-light emission","CrystEngComm","2016","18","40","7728","","10.1039/C6CE01585A","","","0.71073","MoKα","","0.0732","0.0543","","","0.1574","0.1765","","","","","","1.046","","","","has coordinates,has disorder","188098","2020-10-21","18:00:00",""
"7226422","16.0917","0.0006","16.3567","0.0006","17.1769","0.0006","110.724","0.001","110.848","0.001","96.387","0.001","3803.4","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H58 N6 Nd2 O18 S5 -","- C59 H58 N6 Nd2 O18 S5 -","- C118 H116 N12 Nd4 O36 S10 -","2","1","","Rong, Jiewei; Zhang, Wenwei; Bai, Junfeng","Highly thermostable lanthanide(iii) MOFs constructed from 4,4′,4′′-s-triazine-2,4,6-triyl-tribenzoate ligand: synthesis, structure, and tunable white-light emission","CrystEngComm","2016","18","40","7728","","10.1039/C6CE01585A","","","0.71073","MoKα","","0.0616","0.0531","","","0.1658","0.173","","","","","","1.096","","","","has coordinates","188098","2020-10-21","18:00:00",""
"7226423","16.0579","0.0007","16.2365","0.0007","17.1282","0.0008","109.654","0.001","111.356","0.001","96.945","0.001","3763","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H58 Gd2 N6 O18 S5 -","- C59 H58 Gd2 N6 O18 S5 -","- C118 H116 Gd4 N12 O36 S10 -","2","1","","Rong, Jiewei; Zhang, Wenwei; Bai, Junfeng","Highly thermostable lanthanide(iii) MOFs constructed from 4,4′,4′′-s-triazine-2,4,6-triyl-tribenzoate ligand: synthesis, structure, and tunable white-light emission","CrystEngComm","2016","18","40","7728","","10.1039/C6CE01585A","","","0.71073","MoKα","","0.0757","0.0545","","","0.1762","0.1931","","","","","","1.105","","","","has coordinates","188098","2020-10-21","18:00:00",""
"7226424","16.029","0.0007","16.2743","0.0007","17.1155","0.0007","109.868","0.001","111.261","0.001","96.858","0.001","3760.3","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H58 N6 O18 S5 Tb2 -","- C59 H58 N6 O18 S5 Tb2 -","- C118 H116 N12 O36 S10 Tb4 -","2","1","","Rong, Jiewei; Zhang, Wenwei; Bai, Junfeng","Highly thermostable lanthanide(iii) MOFs constructed from 4,4′,4′′-s-triazine-2,4,6-triyl-tribenzoate ligand: synthesis, structure, and tunable white-light emission","CrystEngComm","2016","18","40","7728","","10.1039/C6CE01585A","","","0.71073","MoKα","","0.0796","0.0565","","","0.1771","0.1945","","","","","","1.211","","","","has coordinates","188098","2020-10-21","18:00:00",""
"7226450","8.7785","0.0004","9.7547","0.0004","10.2957","0.0005","93.527","0.002","101.291","0.002","102.406","0.002","839.43","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H16 N10 O8 -","- C11 H16 N10 O8 -","- C22 H32 N20 O16 -","2","1","","Packiaraj, S.; Pushpaveni, A.; Govindarajan, S.; Rawson, J. M.","Structural and anti-oxidant properties of guanidinium pyrazole-3,5-dicarboxylates","CrystEngComm","2016","18","41","7978","","10.1039/C6CE00290K","","","0.71073","MoKα","","0.0437","0.0373","","","0.1066","0.1137","","","","","","1.059","","","","has coordinates","188074","2020-10-21","18:00:00",""
"7226451","12.7602","0.0004","9.0277","0.0004","17.1544","0.0007","90","","95.503","0.003","90","","1967","0.13","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C6 H11 N5 O5 -","- C6 H11 N5 O5 -","- C48 H88 N40 O40 -","8","1","","Packiaraj, S.; Pushpaveni, A.; Govindarajan, S.; Rawson, J. M.","Structural and anti-oxidant properties of guanidinium pyrazole-3,5-dicarboxylates","CrystEngComm","2016","18","41","7978","","10.1039/C6CE00290K","","","0.71073","MoKα","","0.0392","0.0342","","","0.0955","0.0996","","","","","","1.033","","","","has coordinates","188074","2020-10-21","18:00:00",""
"7226452","7.7868","0.0014","10.0032","0.0018","10.6058","0.0019","72.744","0.006","70.282","0.006","75.842","0.006","733","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H19.16 N8 O6.59 -","- C7 H16 N8 O6.5833 -","- C14 H32 N16 O13.1666 -","2","1","","Packiaraj, S.; Pushpaveni, A.; Govindarajan, S.; Rawson, J. M.","Structural and anti-oxidant properties of guanidinium pyrazole-3,5-dicarboxylates","CrystEngComm","2016","18","41","7978","","10.1039/C6CE00290K","","","0.71073","MoKα","","0.0559","0.0431","","","0.1234","0.1322","","","","","","1.055","","","","has coordinates,has disorder","188074","2020-10-21","18:00:00",""
"7226453","3.9966","0.0002","12.0312","0.0006","15.5723","0.0009","71.941","0.002","89.275","0.002","84.754","0.002","708.81","0.07","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H18 N10 O5 -","- C7 H18 N10 O5 -","- C14 H36 N20 O10 -","2","1","","Packiaraj, S.; Pushpaveni, A.; Govindarajan, S.; Rawson, J. M.","Structural and anti-oxidant properties of guanidinium pyrazole-3,5-dicarboxylates","CrystEngComm","2016","18","41","7978","","10.1039/C6CE00290K","","","0.71073","MoKα","","0.0532","0.0413","","","0.1095","0.1196","","","","","","0.99","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7226454","7.3538","0.0004","6.7","0.0004","24.9855","0.0015","90","","95.147","0.002","90","","1226.08","0.12","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","[BIM+][SA-]","benzimidazolium salicylate","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C56 H48 N8 O12 -","4","1","","de Vries, Elise J. C.; Kantengwa, Sylvia; Ayamine, Alban; Báthori, Nikoletta B.","Testing the limits of synthon engineering: salts of salicylic and sulfosalicylic acid with nucleobases and derivatives","CrystEngComm","2016","18","39","7573","","10.1039/C6CE01534D","","","0.71073","MoKα","","0.0477","0.0392","","","0.1006","0.1072","","","","","","1.06","","","","has coordinates","188066","2020-10-21","18:00:00",""
"7226455","6.9999","0.0014","16.7","0.003","11.685","0.002","90","","101.81","0.03","90","","1337","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","[ADE+][SA-]H2O","Adeninium salicylate monohydrate","","- C12 H13 N5 O4 -","- C12 H13 N5 O4 -","- C48 H52 N20 O16 -","4","1","","de Vries, Elise J. C.; Kantengwa, Sylvia; Ayamine, Alban; Báthori, Nikoletta B.","Testing the limits of synthon engineering: salts of salicylic and sulfosalicylic acid with nucleobases and derivatives","CrystEngComm","2016","18","39","7573","","10.1039/C6CE01534D","","","0.71073","MoKα","","0.0865","0.0589","","","0.1418","0.1574","","","","","","1.018","","","","has coordinates","188066","2020-10-21","18:00:00",""
"7226456","9.6386","0.0019","8.5322","0.0017","13.91","0.003","90","","109.93","0.03","90","","1075.4","0.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","[CYT+][SA-]","Cytosinium salicylate","","- C11 H11 N3 O4 -","- C11 H11 N3 O4 -","- C44 H44 N12 O16 -","4","1","","de Vries, Elise J. C.; Kantengwa, Sylvia; Ayamine, Alban; Báthori, Nikoletta B.","Testing the limits of synthon engineering: salts of salicylic and sulfosalicylic acid with nucleobases and derivatives","CrystEngComm","2016","18","39","7573","","10.1039/C6CE01534D","","","0.71073","MoKα","","0.0441","0.0369","","","0.0995","0.1053","","","","","","1.048","","","","has coordinates","188066","2020-10-21","18:00:00",""
"7226457","9.909","0.002","9.817","0.002","22.872","0.005","90","","102.12","0.03","90","","2175.3","0.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2[BIM+][SSA-2]H2O","Di-benzimidazolium sulfosalicylate monohydrate","","- C21 H20 N4 O7 S -","- C21 H20 N4 O7 S -","- C84 H80 N16 O28 S4 -","4","1","","de Vries, Elise J. C.; Kantengwa, Sylvia; Ayamine, Alban; Báthori, Nikoletta B.","Testing the limits of synthon engineering: salts of salicylic and sulfosalicylic acid with nucleobases and derivatives","CrystEngComm","2016","18","39","7573","","10.1039/C6CE01534D","","","0.71073","MoKα","","0.0478","0.039","","","0.1012","0.107","","","","","","1.053","","","","has coordinates","188066","2020-10-21","18:00:00",""
"7226458","6.7311","0.0013","10.314","0.002","10.743","0.002","85.32","0.03","85.11","0.03","86.41","0.03","739.5","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","[ADE+][SSA-]H2O","Adeninium sulfosalicylate monohydrate","","- C12 H13 N5 O7 S -","- C12 H13 N5 O7 S -","- C24 H26 N10 O14 S2 -","2","1","","de Vries, Elise J. C.; Kantengwa, Sylvia; Ayamine, Alban; Báthori, Nikoletta B.","Testing the limits of synthon engineering: salts of salicylic and sulfosalicylic acid with nucleobases and derivatives","CrystEngComm","2016","18","39","7573","","10.1039/C6CE01534D","","","0.71073","MoKα","","0.0556","0.0423","","","0.1018","0.1098","","","","","","1.035","","","","has coordinates","188066","2020-10-21","18:00:00",""
"7226459","7.2974","0.0015","8.4044","0.0017","15.47","0.003","77.82","0.03","83.19","0.03","88.82","0.03","920.9","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","[CYT+][SAA-][CYT]H2O","Cytosinium sulfosalicylate cytosine monohydrate","","- C15 H18 N6 O9 S -","- C15 H18 N6 O9 S -","- C30 H36 N12 O18 S2 -","2","1","","de Vries, Elise J. C.; Kantengwa, Sylvia; Ayamine, Alban; Báthori, Nikoletta B.","Testing the limits of synthon engineering: salts of salicylic and sulfosalicylic acid with nucleobases and derivatives","CrystEngComm","2016","18","39","7573","","10.1039/C6CE01534D","","","0.71073","MoKα","","0.0785","0.045","","","0.1088","0.1256","","","","","","1.007","","","","has coordinates","188066","2020-10-21","18:00:00",""
"7226460","6.9579","0.0014","9.6421","0.0019","14.749","0.003","101.51","0.03","101.98","0.03","98.62","0.03","929.4","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","[FCYT+][SAA-][FCYT]","Fluorocytosinium sulfosalicylate fluorocytosine","","- C15 H14 F2 N6 O8 S -","- C15 H14 F2 N6 O8 S -","- C30 H28 F4 N12 O16 S2 -","2","1","","de Vries, Elise J. C.; Kantengwa, Sylvia; Ayamine, Alban; Báthori, Nikoletta B.","Testing the limits of synthon engineering: salts of salicylic and sulfosalicylic acid with nucleobases and derivatives","CrystEngComm","2016","18","39","7573","","10.1039/C6CE01534D","","","0.71073","MoKα","","0.0552","0.0387","","","0.0952","0.1048","","","","","","1.037","","","","has coordinates","188066","2020-10-21","18:00:00",""
"7226461","16.1475","0.0014","12.516","0.0011","19.8687","0.0017","90","","93.321","0.001","90","","4008.8","0.6","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H11 O11 Zn2 -","- C23 H11 O11 Zn2 -","- C92 H44 O44 Zn8 -","4","1","","Li, Ling; Li, Chang-Xia; Ren, Yan-Li; Song, Ming; Ma, Yue; Huang, Ru-Dan","Novel luminescent metal‒organic frameworks based on rigid carboxylate ligands for highly selective sensing of Fe3+ions","CrystEngComm","2016","18","40","7787","","10.1039/C6CE01514J","","","0.71073","MoKα","","0.0627","0.0444","","","0.1048","0.1097","","","","","","1.047","","","","has coordinates","188091","2020-10-21","18:00:00",""
"7226462","29.218","0.003","11.1912","0.0011","22.9833","0.0017","90","","90","","90","","7515.2","1.2","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C29 H23 Cd2 N2 O12 -","- C29 H23 Cd2 N2 O12 -","- C232 H184 Cd16 N16 O96 -","8","1","","Li, Ling; Li, Chang-Xia; Ren, Yan-Li; Song, Ming; Ma, Yue; Huang, Ru-Dan","Novel luminescent metal‒organic frameworks based on rigid carboxylate ligands for highly selective sensing of Fe3+ions","CrystEngComm","2016","18","40","7787","","10.1039/C6CE01514J","","","0.71073","MoKα","","0.106","0.0662","","","0.1895","0.2155","","","","","","1.023","","","","has coordinates,has disorder","188091","2020-10-21","18:00:00",""
"7226463","28.166","0.003","28.166","0.003","9.7199","0.0009","90","","90","","90","","7711","1.4","298","2","298","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C56 H50 N4 O24 Zn3 -","- C56 H50 N4 O24 Zn3 -","- C224 H200 N16 O96 Zn12 -","4","0.25","","Li, Ling; Li, Chang-Xia; Ren, Yan-Li; Song, Ming; Ma, Yue; Huang, Ru-Dan","Novel luminescent metal‒organic frameworks based on rigid carboxylate ligands for highly selective sensing of Fe3+ions","CrystEngComm","2016","18","40","7787","","10.1039/C6CE01514J","","","0.71073","MoKα","","0.069","0.062","","","0.1621","0.1664","","","","","","1.051","","","","has coordinates","188091","2020-10-21","18:00:00",""
"7226464","29.22","0.002","29.22","0.002","9.3882","0.0009","90","","90","","90","","8015.7","1.1","298","2","298","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C60 H64 Cd3 N6 O24 -","- C60 H64 Cd3 N6 O24 -","- C240 H256 Cd12 N24 O96 -","4","0.25","","Li, Ling; Li, Chang-Xia; Ren, Yan-Li; Song, Ming; Ma, Yue; Huang, Ru-Dan","Novel luminescent metal‒organic frameworks based on rigid carboxylate ligands for highly selective sensing of Fe3+ions","CrystEngComm","2016","18","40","7787","","10.1039/C6CE01514J","","","0.71073","MoKα","","0.069","0.0505","","","0.1257","0.1361","","","","","","1.018","","","","has coordinates,has disorder","188091","2020-10-21","18:00:00",""
"7226465","13.4384","0.0014","17.4194","0.0018","16.514","0.0017","90","","104.02","0.001","90","","3750.6","0.7","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H32 Ag O4 P2 S -","- C42 H32 Ag O4 P2 S -","- C168 H128 Ag4 O16 P8 S4 -","4","1","","Zheng, Xiao-Feng; Li, Wen-Qiang; Du, Jun; Luo, Xian-Zhu; Liu, Miao-Miao; Yu, Yang; Tian, Lai-Jin","Diverse structural assemblies of silver‒thiophene-2,5-dicarboxylate coordination complexes contribute to different proton-conducting performances","CrystEngComm","2016","18","40","7814","","10.1039/C6CE01689H","","","0.71073","MoKα","","0.0438","0.0352","","","0.0821","0.0866","","","","","","1.052","","","","has coordinates","188094","2020-10-21","18:00:00",""
"7226466","10.372","0.0012","5.6131","0.0006","30.25","0.003","90","","97.097","0.001","90","","1747.6","0.3","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Ag2 N4 O4 S -","- C16 H14 Ag2 N4 O4 S -","- C64 H56 Ag8 N16 O16 S4 -","4","1","","Zheng, Xiao-Feng; Li, Wen-Qiang; Du, Jun; Luo, Xian-Zhu; Liu, Miao-Miao; Yu, Yang; Tian, Lai-Jin","Diverse structural assemblies of silver‒thiophene-2,5-dicarboxylate coordination complexes contribute to different proton-conducting performances","CrystEngComm","2016","18","40","7814","","10.1039/C6CE01689H","","","0.71073","MoKα","","0.0443","0.0403","","","0.0859","0.088","","","","","","1.028","","","","has coordinates","188094","2020-10-21","18:00:00",""
"7226467","11.962","0.0014","11.315","0.0013","36.656","0.004","90","","90","","90","","4961.4","1","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H32 Ag2 N8 O7 S -","- C18 H32 Ag2 N8 O7 S -","- C144 H256 Ag16 N64 O56 S8 -","8","1","","Zheng, Xiao-Feng; Li, Wen-Qiang; Du, Jun; Luo, Xian-Zhu; Liu, Miao-Miao; Yu, Yang; Tian, Lai-Jin","Diverse structural assemblies of silver‒thiophene-2,5-dicarboxylate coordination complexes contribute to different proton-conducting performances","CrystEngComm","2016","18","40","7814","","10.1039/C6CE01689H","","","0.71073","MoKα","","0.0378","0.0334","","","0.0768","0.0787","","","","","","1.147","","","","has coordinates","188094","2020-10-21","18:00:00",""
"7226468","10.852","0.0003","14.2506","0.0006","19.6911","0.0008","96.202","0.003","103.112","0.003","94.223","0.003","2933.2","0.2","300","1","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H47 N3 O5 S -","- C25 H47 N3 O5 S -","- C100 H188 N12 O20 S4 -","4","2","","Blackholly, Laura R.; Shepherd, Helena J.; Hiscock, Jennifer R.","‘Frustrated’ hydrogen bond mediated amphiphile self-assembly ‒ a solid state study","CrystEngComm","2016","18","37","7021","","10.1039/C6CE01493C","","","1.54184","CuKα","","0.0789","0.0564","","","0.1675","0.1933","","","","","","1.031","","","","has coordinates,has disorder","187051","2020-10-21","18:00:00",""
"7226469","9.33311","0.00013","18.8139","0.0003","15.7107","0.0002","90","","90","","90","","2758.68","0.07","100","1","100","1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H47 N3 O5 S -","- C24 H47 N3 O5 S -","- C96 H188 N12 O20 S4 -","4","1","","Blackholly, Laura R.; Shepherd, Helena J.; Hiscock, Jennifer R.","‘Frustrated’ hydrogen bond mediated amphiphile self-assembly ‒ a solid state study","CrystEngComm","2016","18","37","7021","","10.1039/C6CE01493C","","x-ray","1.54184","CuKα","","0.0316","0.03","","","0.075","0.0764","","","","","","1.031","","","","has coordinates","187051","2020-10-21","18:00:00",""
"7226470","19.1853","0.0005","16.9662","0.0004","19.0342","0.0005","90","","109.85","0.003","90","","5827.5","0.3","100","1","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H90 N8 O13 S2 -","- C48 H90 N8 O13 S2 -","- C192 H360 N32 O52 S8 -","4","0.5","","Blackholly, Laura R.; Shepherd, Helena J.; Hiscock, Jennifer R.","‘Frustrated’ hydrogen bond mediated amphiphile self-assembly ‒ a solid state study","CrystEngComm","2016","18","37","7021","","10.1039/C6CE01493C","","x-ray","1.54184","CuKα","","0.086","0.0794","","","0.2289","0.2406","","","","","","1.034","","","","has coordinates,has disorder","187051","2020-10-21","18:00:00",""
"7226471","19.4863","0.0008","16.95","0.0006","19.0704","0.0005","90","","110.145","0.004","90","","5913.5","0.4","100","1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H45 F3 N3 O4.5 S -","- C25 H45 F3 N3 O4.5 S -","- C200 H360 F24 N24 O36 S8 -","8","1","","Blackholly, Laura R.; Shepherd, Helena J.; Hiscock, Jennifer R.","‘Frustrated’ hydrogen bond mediated amphiphile self-assembly ‒ a solid state study","CrystEngComm","2016","18","37","7021","","10.1039/C6CE01493C","","","1.54184","CuKα","","0.069","0.0602","","","0.1485","0.1558","","","","","","1.045","","","","has coordinates,has disorder","187051","2020-10-21","18:00:00",""
"7226472","12.3465","0.0007","13.2148","0.0009","20.8662","0.001","78.866","0.005","76.851","0.004","82.631","0.005","3240.1","0.3","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C26 H48 F3 N3 O4 S2.5 -","- C52 H96 F6 N6 O8 S5 -","- C104 H192 F12 N12 O16 S10 -","2","1","","Blackholly, Laura R.; Shepherd, Helena J.; Hiscock, Jennifer R.","‘Frustrated’ hydrogen bond mediated amphiphile self-assembly ‒ a solid state study","CrystEngComm","2016","18","37","7021","","10.1039/C6CE01493C","","x-ray","1.54184","CuKα","","0.0819","0.0543","","","0.1208","0.1386","","","","","","1.034","","","","has coordinates,has disorder","187051","2020-10-21","18:00:00",""
"7226473","13.3272","0.0004","20.7771","0.0006","22.3152","0.0006","90","","92.086","0.003","90","","6175","0.3","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H43 F6 N3 O4 S -","- C26 H43 F6 N3 O4 S -","- C208 H344 F48 N24 O32 S8 -","8","2","","Blackholly, Laura R.; Shepherd, Helena J.; Hiscock, Jennifer R.","‘Frustrated’ hydrogen bond mediated amphiphile self-assembly ‒ a solid state study","CrystEngComm","2016","18","37","7021","","10.1039/C6CE01493C","","x-ray","1.54184","CuKα","","0.058","0.0446","","","0.1054","0.1148","","","","","","1.017","","","","has coordinates,has disorder","187051","2020-10-21","18:00:00",""
"7226474","12.1225","0.0005","13.1483","0.0004","21.4144","0.0011","74.424","0.004","87.1","0.004","84.476","0.003","3271.5","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H43 F6 N3 O4 S2 -","- C26 H45 F6 N3 O4 S2 -","- C104 H180 F24 N12 O16 S8 -","4","2","","Blackholly, Laura R.; Shepherd, Helena J.; Hiscock, Jennifer R.","‘Frustrated’ hydrogen bond mediated amphiphile self-assembly ‒ a solid state study","CrystEngComm","2016","18","37","7021","","10.1039/C6CE01493C","","","1.54184","CuKα","","0.1342","0.111","","","0.3006","0.3293","","","","","","1.055","","","","has coordinates,has disorder","187051","2020-10-21","18:00:00",""
"7226475","4.8741","0.0003","6.3672","0.0004","40.456","0.003","90","","90","","90","","1255.53","0.14","100","1","100","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C9 H10 F3 N2 Na O5 S -","- C9 H10 F3 N2 Na O5 S -","- C36 H40 F12 N8 Na4 O20 S4 -","4","1","","Blackholly, Laura R.; Shepherd, Helena J.; Hiscock, Jennifer R.","‘Frustrated’ hydrogen bond mediated amphiphile self-assembly ‒ a solid state study","CrystEngComm","2016","18","37","7021","","10.1039/C6CE01493C","","x-ray","1.54184","CuKα","","0.0288","0.0279","","","0.0697","0.0701","","","","","","1.066","","","","has coordinates","187051","2020-10-21","18:00:00",""
"7226476","9.1526","0.0003","12.9487","0.0005","13.3592","0.0006","93.444","0.004","97.949","0.003","92.527","0.003","1563.01","0.11","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C14 H14 F3 N3 O4 S -","- C14 H14 F3 N3 O4 S -","- C56 H56 F12 N12 O16 S4 -","4","2","","Blackholly, Laura R.; Shepherd, Helena J.; Hiscock, Jennifer R.","‘Frustrated’ hydrogen bond mediated amphiphile self-assembly ‒ a solid state study","CrystEngComm","2016","18","37","7021","","10.1039/C6CE01493C","","x-ray","1.54184","CuKα","","0.0441","0.0424","","","0.1103","0.1113","","","","","","1.128","","","","has coordinates","187051","2020-10-21","18:00:00",""
"7226499","11.196","0.0007","13.4174","0.0009","16.1522","0.001","70.32","0.001","70.03","0.001","86.337","0.001","2143.7","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","1","","","- C24 H32 N10 O34 Pr2 -","- C24 H36 N10 O34 Pr2 -","- C48 H72 N20 O68 Pr4 -","2","1","","Hu, Yue-Qiao; Li, Mu-Qing; Li, Teng; Wang, Yan-Yan; Zheng, Zhiping; Zheng, Yan-Zhen","An alkali-ion insertion approach to structurally transform metal‒organic frameworks","CrystEngComm","2016","18","40","7680","","10.1039/C6CE00540C","","","0.71073","MoKα","","0.0228","0.019","","","0.0469","0.05","","","","","","1.04","","","","has coordinates","188092","2020-10-21","18:00:00",""
"7226500","15.0627","0.001","16.6949","0.0011","18.0047","0.0012","115.295","0.001","101.985","0.001","90.845","0.001","3976.8","0.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","2","","","- C55 H45 Cu7 I7 N13 O22.5 Pr3 -","- C55 H45 Cu7 I7 N13 O22.5 Pr3 -","- C110 H90 Cu14 I14 N26 O45 Pr6 -","2","1","","Hu, Yue-Qiao; Li, Mu-Qing; Li, Teng; Wang, Yan-Yan; Zheng, Zhiping; Zheng, Yan-Zhen","An alkali-ion insertion approach to structurally transform metal‒organic frameworks","CrystEngComm","2016","18","40","7680","","10.1039/C6CE00540C","","","0.71073","MoKα","","0.024","0.0197","","","0.043","0.0444","","","","","","1.011","","","","has coordinates","188092","2020-10-21","18:00:00",""
"7226501","15.289","0.006","8.168","0.003","28.995","0.011","90","","100.646","0.005","90","","3559","2","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","3","","","- C42 H39 Cu8 I8 N9 O16.5 Pr2 -","- C44 H32 Cu8 I8 N10 O17 Pr2 -","- C88 H64 Cu16 I16 N20 O34 Pr4 -","2","0.5","","Hu, Yue-Qiao; Li, Mu-Qing; Li, Teng; Wang, Yan-Yan; Zheng, Zhiping; Zheng, Yan-Zhen","An alkali-ion insertion approach to structurally transform metal‒organic frameworks","CrystEngComm","2016","18","40","7680","","10.1039/C6CE00540C","","","0.71073","MoKα","","0.0435","0.0367","","","0.0931","0.0972","","","","","","1.041","","","","has coordinates","188092","2020-10-21","18:00:00",""
"7226502","15.095","0.0004","25.0532","0.0008","29.7588","0.0008","90","","107.936","0.001","90","","10707.2","0.5","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","4-Pr","","","- C69 H70 Cu12 I12 N14 O23 Pr3 -","- C69 H70 Cu12 I12 N14 O23 Pr3 -","- C276 H280 Cu48 I48 N56 O92 Pr12 -","4","1","","Hu, Yue-Qiao; Li, Mu-Qing; Li, Teng; Wang, Yan-Yan; Zheng, Zhiping; Zheng, Yan-Zhen","An alkali-ion insertion approach to structurally transform metal‒organic frameworks","CrystEngComm","2016","18","40","7680","","10.1039/C6CE00540C","","","0.71073","MoKα","","0.0364","0.0318","","","0.0731","0.0752","","","","","","1.046","","","","has coordinates","188092","2020-10-21","18:00:00",""
"7226503","17.8961","0.0019","31.932","0.003","25.078","0.003","90","","90","","90","","14331","3","150","2","150","2","","","","","","","","8","C 2 2 21","C 2c 2","20","2-Pr","","","- C48 H40 Cu8 I8 N8 Na2 O25 Pr2 -","- C48 H40 Cu8 I8 N8 Na2 O25 Pr2 -","- C192 H160 Cu32 I32 N32 Na8 O100 Pr8 -","4","0.5","","Hu, Yue-Qiao; Li, Mu-Qing; Li, Teng; Wang, Yan-Yan; Zheng, Zhiping; Zheng, Yan-Zhen","An alkali-ion insertion approach to structurally transform metal‒organic frameworks","CrystEngComm","2016","18","40","7680","","10.1039/C6CE00540C","","","0.71073","MoKα","","0.106","0.0862","","","0.2128","0.229","","","","","","1.06","","","","has coordinates","188092","2020-10-21","18:00:00",""
"7226504","30.332","0.004","46.354","0.006","18.13","0.003","90","","116.729","0.002","90","","22767","6","150","2","150","2","","","","","","","","8","C 1 2/m 1","-C 2y","12","6","","","- C58.6 H40 Cu12 I12 K N10 O30.4 Pr3 -","- C58.6 H40 Cu12 I12 K N10 O30.4 Pr3 -","- C234.4 H160 Cu48 I48 K4 N40 O121.6 Pr12 -","4","0.5","","Hu, Yue-Qiao; Li, Mu-Qing; Li, Teng; Wang, Yan-Yan; Zheng, Zhiping; Zheng, Yan-Zhen","An alkali-ion insertion approach to structurally transform metal‒organic frameworks","CrystEngComm","2016","18","40","7680","","10.1039/C6CE00540C","","","0.71073","MoKα","","0.223","0.1302","","","0.3437","0.4407","","","","","","1.08","","","","has coordinates","188092","2020-10-21","18:00:00",""
"7226505","42.221","0.005","30.379","0.004","27.178","0.003","90","","90","","90","","34859","7","293","2","293","2","","","","","","","","8","P b c n","-P 2n 2ab","60","7","","","- C51 H32 Cs0 Cu8 I8 N10 O31 Pr4 -","- C51 H39 Cu8 I8 N10 O31 Pr4 -","- C408 H312 Cu64 I64 N80 O248 Pr32 -","8","1","","Hu, Yue-Qiao; Li, Mu-Qing; Li, Teng; Wang, Yan-Yan; Zheng, Zhiping; Zheng, Yan-Zhen","An alkali-ion insertion approach to structurally transform metal‒organic frameworks","CrystEngComm","2016","18","40","7680","","10.1039/C6CE00540C","","","0.71073","MoKα","","0.1046","0.0639","","","0.1834","0.2025","","","","","","1.041","","","","has coordinates","188092","2020-10-21","18:00:00",""
"7226506","5.0952","0.001","13.021","0.003","6.8264","0.0014","90","","105.26","0.03","90","","436.93","0.17","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C H2 Hg N5 -","- C H2 Hg N5 -","- C4 H8 Hg4 N20 -","4","1","","Liu, Dong-Sheng; Chen, Wen-Tong; Huang, Jian-Gen; Cheng, Xiao-Di; Wang, Jie; Sui, Yan","Syntheses, structures and investigation of the properties of mercury coordination polymers based on 5-amino-tetrazolate ligands","CrystEngComm","2016","18","40","7865","","10.1039/C6CE01790H","","","0.71073","MoKα","","0.0618","0.0594","","","0.1491","0.1528","","","","","","1.087","","","","has coordinates","188097","2020-10-21","18:00:00",""
"7226507","8.1233","0.0013","6.9274","0.0011","8.7456","0.0014","90","","93.122","0.002","90","","491.41","0.14","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C H2 Cl Hg N5 -","- C H2 Cl Hg N5 -","- C4 H8 Cl4 Hg4 N20 -","4","1","","Liu, Dong-Sheng; Chen, Wen-Tong; Huang, Jian-Gen; Cheng, Xiao-Di; Wang, Jie; Sui, Yan","Syntheses, structures and investigation of the properties of mercury coordination polymers based on 5-amino-tetrazolate ligands","CrystEngComm","2016","18","40","7865","","10.1039/C6CE01790H","","","0.71073","MoKα","","0.0259","0.0249","","","0.065","0.0658","","","","","","1.055","","","","has coordinates","188097","2020-10-21","18:00:00",""
"7226508","5.8459","0.0013","6.9731","0.0015","6.1725","0.0013","90","","94.27","0.002","90","","250.92","0.09","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C H2 Cl Hg N5 -","- C H2 Cl Hg N5 -","- C2 H4 Cl2 Hg2 N10 -","2","1","","Liu, Dong-Sheng; Chen, Wen-Tong; Huang, Jian-Gen; Cheng, Xiao-Di; Wang, Jie; Sui, Yan","Syntheses, structures and investigation of the properties of mercury coordination polymers based on 5-amino-tetrazolate ligands","CrystEngComm","2016","18","40","7865","","10.1039/C6CE01790H","","","0.71073","MoKα","","0.0604","0.054","","","0.1323","0.1405","","","","","","1.131","","","","has coordinates","188097","2020-10-21","18:00:00",""
"7226509","7.2488","0.001","6.2654","0.0008","10.1326","0.0013","90","","90","","90","","460.19","0.1","296","2","296","2","","","","","","","","5","P m m a","-P 2a 2a","51","","","","- C7 H6 Hg N6 O2 -","- C7 H6 Hg N6 O2 -","- C14 H12 Hg2 N12 O4 -","2","0.25","","Liu, Dong-Sheng; Chen, Wen-Tong; Huang, Jian-Gen; Cheng, Xiao-Di; Wang, Jie; Sui, Yan","Syntheses, structures and investigation of the properties of mercury coordination polymers based on 5-amino-tetrazolate ligands","CrystEngComm","2016","18","40","7865","","10.1039/C6CE01790H","","","0.71073","MoKα","","0.0432","0.0431","","","0.1065","0.1067","","","","","","1.001","","","","has coordinates","188097","2020-10-21","18:00:00",""
"7226528","18.7531","0.0008","25.0061","0.0011","10.5276","0.0005","90","","91.259","0.001","90","","4935.6","0.4","173.15","","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H31.5 N0.5 O6 -","- C28 H31.5 N0.5 O6 -","- C224 H252 N4 O48 -","8","2","","Payne, Richard M.; Oliver, Clive L.","Single-crystal-to-single-crystal transformation of the desolvation of a cyclotriveratrylene‒acetonitrile inclusion complex via a gating mechanism with subsequent polymorphism","CrystEngComm","2016","18","41","7965","","10.1039/C6CE01078D","","","0.71073","MoKα","","0.0925","0.0476","","","0.1117","0.1322","","","","","","1.023","","","","has coordinates","188075","2020-10-21","18:00:00",""
"7226529","18.606","0.002","24.551","0.003","10.4027","0.0013","90","","90.819","0.003","90","","4751.4","1","153","2","153.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H30 O6 -","- C27 H30 O6 -","- C216 H240 O48 -","8","2","","Payne, Richard M.; Oliver, Clive L.","Single-crystal-to-single-crystal transformation of the desolvation of a cyclotriveratrylene‒acetonitrile inclusion complex via a gating mechanism with subsequent polymorphism","CrystEngComm","2016","18","41","7965","","10.1039/C6CE01078D","","","0.71073","MoKα","","0.0696","0.0444","","","0.1005","0.1122","","","","","","1.027","","","","has coordinates","188075","2020-10-21","18:00:00",""
"7226538","14.095","0.0005","15.667","0.0005","21.182","0.0008","86.503","0.003","76.211","0.003","69.422","0.003","4251.6","0.3","120","1","120","1","","","","","","","","6","P -1","-P 1","2","","compound 1","","- C95 H74 B2 Cl6 Fe N16 -","- C95 H70 B2 Cl6 Fe N16 -","- C190 H140 B4 Cl12 Fe2 N32 -","2","1","","Adam, Rosa; Ballesteros-Garrido, Rafael; Ferrer, Sacramento; Abarca, Belén; Ballesteros, Rafael; Real, José Antonio; Muñoz, M. Carmen","From six-coordinate to eight-coordinate iron(ii) complexes with pyridyltriazolo-pyridine frameworks","CrystEngComm","2016","18","41","7950","","10.1039/C6CE01540A","","","0.71069","MoKα","","0.1551","0.0909","","","0.2557","0.3255","","","","","","1.022","","","","has coordinates","188078","2020-10-21","18:00:00",""
"7226539","12.328","0.0006","20.697","0.0008","17.7258","0.001","90","","117.72","0.004","90","","4003.7","0.4","120","1","120","1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","compound 2","","- C32 H23 Br2 F6 Fe N12 O8.5 S2 -","- C32 H18 Br2 F6 Fe N12 O8.5 S2 -","- C128 H72 Br8 F24 Fe4 N48 O34 S8 -","4","1","","Adam, Rosa; Ballesteros-Garrido, Rafael; Ferrer, Sacramento; Abarca, Belén; Ballesteros, Rafael; Real, José Antonio; Muñoz, M. Carmen","From six-coordinate to eight-coordinate iron(ii) complexes with pyridyltriazolo-pyridine frameworks","CrystEngComm","2016","18","41","7950","","10.1039/C6CE01540A","","","0.71073","MoKα","","0.1649","0.0885","","","0.2422","0.3225","","","","","","0.952","","","","has coordinates","188078","2020-10-21","18:00:00",""
"7226540","18.0922","0.0015","28.182","0.002","16.7188","0.0012","90","","90","","90","","8524.5","1.1","296","2","296","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C30 H20 Cu2 N4 -","- C30 H20 Cu2 N4 -","- C360 H240 Cu24 N48 -","12","3","","Grzywa, Maciej; Denysenko, Dmytro; Schaller, Andreas; Kalytta-Mewes, Andreas; Volkmer, Dirk","Flexible chiral pyrazolate-based metal‒organic framework containing saddle-type CuI4(pyrazolate)4units","CrystEngComm","2016","18","40","7883","","10.1039/C6CE01594H","","","0.71073","MoKα","","0.2443","0.1496","","","0.2879","0.3181","","","","","","1.426","","","","has coordinates","188095","2020-10-21","18:00:00",""
"7226541","18.2348","0.0006","18.2348","0.0006","16.395","0.0004","90","","90","","120","","4721.1","0.2","100","2","100","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C31 H24 Cu2 N4 O -","- C30 H20 Cu2 N4 -","- C180 H120 Cu12 N24 -","6","1","","Grzywa, Maciej; Denysenko, Dmytro; Schaller, Andreas; Kalytta-Mewes, Andreas; Volkmer, Dirk","Flexible chiral pyrazolate-based metal‒organic framework containing saddle-type CuI4(pyrazolate)4units","CrystEngComm","2016","18","40","7883","","10.1039/C6CE01594H","","","0.71073","MoKα","","0.0458","0.0409","","","0.1097","0.1129","","","","","","1.059","","","","has coordinates,has disorder","188095","2020-10-21","18:00:00",""
"7226550","7.6484","0.0005","16.6146","0.0011","11.9576","0.0007","90","","108.111","0.001","90","","1444.23","0.16","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 N3 O6 -","- C15 H11 N3 O6 -","- C60 H44 N12 O24 -","4","1","","Mekala, R.; Mani, Rajaboopathi; Rietveld, Ivo B.; Jagdish, P.; Mathammal, R.; Jiang, Huaidong","Crystal growth and physical properties of the organic salt benzimidazolium 3-nitrophthalate","CrystEngComm","2016","18","42","8194","","10.1039/C6CE01712F","","","0.71073","MoKα","","0.047","0.0358","","","0.0846","0.0953","","","","","","1.049","","","","has coordinates","188100","2020-10-21","18:00:00",""
"7226551","15.769","0.003","18.047","0.003","18.752","0.003","102.985","0.003","91.397","0.002","91.223","0.003","5196.5","1.6","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C89 H107 F12 N8 O14 P2 S2 -","- C89 H107 F12 N8 O14 P2 S2 -","- C178 H214 F24 N16 O28 P4 S4 -","2","1","","Geng, Yong-Jie; Zhang, Ai-Qin; Wu, Kun-Xian; Xue, Dong-Xu; Liu, Zhi-Hong","A unique (3,10)-connected magnesium/nickel-based metal‒organic framework constructed from an unusual kgd supermolecular building layer via mixed linkers and solid solution approach","CrystEngComm","2016","18","43","8358","","10.1039/C6CE01629D","","","0.71073","MoKα","","0.129","0.0698","","","0.1945","0.2242","","","","","","0.926","","","","has coordinates","188086","2020-10-21","18:00:00",""
"7226560","14.19","0.003","8.068","0.0016","22.427","0.005","90","","100.06","0.03","90","","2528.1","1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","ebp-terpyridine","ebptpy","","- C30 H23 N3 O2 -","- C30 H23 N3 O2 -","- C120 H92 N12 O8 -","4","1","","Lee, Young Hoon; Kim, Jee Young; Kim, Yang; Hayami, Shinya; Shin, Jong Won; Harrowfield, Jack; Stefankiewicz, Artur R.","Lattice interactions of terpyridines and their derivatives ‒ free terpyridines and their protonated forms","CrystEngComm","2016","18","41","8059","","10.1039/C6CE01435F","","","0.7","Synchrotron","","0.0658","0.0487","","","0.1508","0.1608","","","","","","1.127","","","","has coordinates","188079","2020-10-21","18:00:00",""
"7226561","22.883","0.005","8.352","0.0017","14.445","0.003","90","","106.61","0.03","90","","2645.5","1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","etp-terpyridine","etptpy","","- C36 H27 N3 O2 -","- C36 H27 N3 O2 -","- C144 H108 N12 O8 -","4","1","","Lee, Young Hoon; Kim, Jee Young; Kim, Yang; Hayami, Shinya; Shin, Jong Won; Harrowfield, Jack; Stefankiewicz, Artur R.","Lattice interactions of terpyridines and their derivatives ‒ free terpyridines and their protonated forms","CrystEngComm","2016","18","41","8059","","10.1039/C6CE01435F","","","0.7","Synchrotron","","0.0563","0.0499","","","0.1422","0.148","","","","","","1.063","","","","has coordinates","188079","2020-10-21","18:00:00",""
"7226562","6.527","0.0013","7.903","0.0016","18.016","0.004","95.78","0.03","95.32","0.03","94.15","0.03","917.5","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","pfpatpy","pfpatpy","","- C23 H10 F5 N3 -","- C23 H10 F5 N3 -","- C46 H20 F10 N6 -","2","1","","Lee, Young Hoon; Kim, Jee Young; Kim, Yang; Hayami, Shinya; Shin, Jong Won; Harrowfield, Jack; Stefankiewicz, Artur R.","Lattice interactions of terpyridines and their derivatives ‒ free terpyridines and their protonated forms","CrystEngComm","2016","18","41","8059","","10.1039/C6CE01435F","","","0.63","Synchrotron","","0.0766","0.0662","","","0.183","0.1991","","","","","","1.046","","","","has coordinates","188079","2020-10-21","18:00:00",""
"7226563","5.714","0.0011","16.831","0.003","17.555","0.004","90","","92.54","0.03","90","","1686.6","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bzo-terpyridine","bzotpy","","- C22 H17 N3 O -","- C22 H17 N3 O -","- C88 H68 N12 O4 -","4","1","","Lee, Young Hoon; Kim, Jee Young; Kim, Yang; Hayami, Shinya; Shin, Jong Won; Harrowfield, Jack; Stefankiewicz, Artur R.","Lattice interactions of terpyridines and their derivatives ‒ free terpyridines and their protonated forms","CrystEngComm","2016","18","41","8059","","10.1039/C6CE01435F","","","0.7","Synchrotron","","0.0514","0.0443","","","0.1262","0.1307","","","","","","1.077","","","","has coordinates","188079","2020-10-21","18:00:00",""
"7226564","13.742","0.006","10.981","0.005","23.785","0.01","90","","103.153","0.006","90","","3495","3","100","2","100","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C66 H36 Eu2 N6 O15 -","- C66 H36 Eu2 N6 O15 -","- C132 H72 Eu4 N12 O30 -","2","0.5","","Qiang, Dajiao; Yang, Xiaogang; Deng, Xuebin; Sun, Hao-Ling","Two novel eight-connected self-penetrating porous lanthanide‒organic frameworks: structures, luminescence, and gas adsorption properties","CrystEngComm","2016","18","42","8159","","10.1039/C6CE01527A","","","0.71073","MoKα","","0.0605","0.0436","","","0.0908","0.0968","","","","","","1.022","","","","has coordinates","188109","2020-10-21","18:00:00",""
"7226565","13.502","0.004","26.611","0.008","18.609","0.006","90","","90","","90","","6686","4","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C66 H36 Eu2 N6 O15 -","- C66 H36 Eu2 N6 O15 -","- C264 H144 Eu8 N24 O60 -","4","0.5","","Qiang, Dajiao; Yang, Xiaogang; Deng, Xuebin; Sun, Hao-Ling","Two novel eight-connected self-penetrating porous lanthanide‒organic frameworks: structures, luminescence, and gas adsorption properties","CrystEngComm","2016","18","42","8159","","10.1039/C6CE01527A","","","0.71073","MoKα","","0.1047","0.0491","","","0.1025","0.1208","","","","","","1.006","","","","has coordinates,has disorder","188109","2020-10-21","18:00:00",""
"7226566","12.1013","0.0003","12.1013","0.0003","24.5291","0.0009","90","","90","","90","","3592.08","0.18","173","2","173","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C36 H40 N6 O7 -","- C36 H34 N6 O7 -","- C144 H136 N24 O28 -","4","0.5","","Ganß, Alexander; Xu, Chaojie; Guenet, Aurélie; Kelm, Harald; Kyritsakas, Nathalie; Planeix, Jean-Marc; Kubik, Stefan; Hosseini, Mir Wais","Molecular tectonics: homochiral coordination polymers based on pyridyl-substituted cyclic tetrapeptides","CrystEngComm","2016","18","40","7685","","10.1039/C6CE01944G","","","0.71073","MoKα","","0.1147","0.0999","","","0.3109","0.3351","","","","","","1.079","","","","has coordinates","188089","2020-10-21","18:00:00",""
"7226567","8.1558","0.0002","12.8129","0.0003","22.6191","0.0004","90","","90","","90","","2363.68","0.09","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H30 N6 O6 -","- C24 H30 N6 O6 -","- C96 H120 N24 O24 -","4","1","","Ganß, Alexander; Xu, Chaojie; Guenet, Aurélie; Kelm, Harald; Kyritsakas, Nathalie; Planeix, Jean-Marc; Kubik, Stefan; Hosseini, Mir Wais","Molecular tectonics: homochiral coordination polymers based on pyridyl-substituted cyclic tetrapeptides","CrystEngComm","2016","18","40","7685","","10.1039/C6CE01944G","","","1.54184","CuKα","","0.0399","0.0395","","","0.1051","0.1055","","","","","","1.085","","","","has coordinates","188089","2020-10-21","18:00:00",""
"7226568","23.6335","0.0014","4.9941","0.0002","18.5991","0.0012","90","","123.025","0.004","90","","1840.5","0.2","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C34 H30 Cd Cl2 N6 O4 -","- C34 H30 Cd Cl2 N6 O4 -","- C68 H60 Cd2 Cl4 N12 O8 -","2","0.5","","Ganß, Alexander; Xu, Chaojie; Guenet, Aurélie; Kelm, Harald; Kyritsakas, Nathalie; Planeix, Jean-Marc; Kubik, Stefan; Hosseini, Mir Wais","Molecular tectonics: homochiral coordination polymers based on pyridyl-substituted cyclic tetrapeptides","CrystEngComm","2016","18","40","7685","","10.1039/C6CE01944G","","","0.71073","MoKα","","0.0561","0.052","","","0.1504","0.1541","","","","","","1.025","","","","has coordinates","188089","2020-10-21","18:00:00",""
"7226569","23.604","0.004","4.9826","0.0008","18.294","0.003","90","","124.204","0.003","90","","1779.4","0.5","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C34 H30 Cl2 Hg N6 O4 -","- C34 H30 Cl2 Hg N6 O4 -","- C68 H60 Cl4 Hg2 N12 O8 -","2","0.5","","Ganß, Alexander; Xu, Chaojie; Guenet, Aurélie; Kelm, Harald; Kyritsakas, Nathalie; Planeix, Jean-Marc; Kubik, Stefan; Hosseini, Mir Wais","Molecular tectonics: homochiral coordination polymers based on pyridyl-substituted cyclic tetrapeptides","CrystEngComm","2016","18","40","7685","","10.1039/C6CE01944G","","","0.71073","MoKα","","0.0486","0.0443","","","0.1062","0.1086","","","","","","1.03","","","","has coordinates","188089","2020-10-21","18:00:00",""
"7226570","10.5415","0.0004","23.0604","0.0013","35.42","0.0014","90","","90","","90","","8610.3","0.7","173","2","173","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C69 H78 Cl6 Hg3 N18 O15 -","- C69 H78 Cl6 Hg3 N18 O15 -","- C276 H312 Cl24 Hg12 N72 O60 -","4","0.5","","Ganß, Alexander; Xu, Chaojie; Guenet, Aurélie; Kelm, Harald; Kyritsakas, Nathalie; Planeix, Jean-Marc; Kubik, Stefan; Hosseini, Mir Wais","Molecular tectonics: homochiral coordination polymers based on pyridyl-substituted cyclic tetrapeptides","CrystEngComm","2016","18","40","7685","","10.1039/C6CE01944G","","","0.71073","MoKα","","0.0862","0.0844","","","0.2068","0.2076","","","","","","1.005","","","","has coordinates","188089","2020-10-21","18:00:00",""
"7226571","10.229","0.003","10.526","0.004","12.346","0.004","66.68","0.01","78.973","0.011","67.688","0.01","1128","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H10 F2 N2 -","- C13 H10 F2 N2 -","- C52 H40 F8 N8 -","4","2","","Dey, Dhananjay; Chopra, Deepak","Solvatomorphism in (Z)-4-fluoro-N′-(3-fluorophenyl)benzimidamide: the role of intermolecular O‒H⋯F interaction","CrystEngComm","2016","18","42","8291","","10.1039/C6CE01668E","","","0.71073","MoKα","","0.0797","0.0495","","","0.1091","0.1227","","","","","","1.03","","","","has coordinates,has disorder","188103","2020-10-21","18:00:00",""
"7226572","9.8216","0.0003","11.6073","0.0004","12.2477","0.0004","105.726","0.002","111.775","0.001","105.364","0.002","1139","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 F4 N4 O -","- C26 H22 F4 N4 O -","- C52 H44 F8 N8 O2 -","2","1","","Dey, Dhananjay; Chopra, Deepak","Solvatomorphism in (Z)-4-fluoro-N′-(3-fluorophenyl)benzimidamide: the role of intermolecular O‒H⋯F interaction","CrystEngComm","2016","18","42","8291","","10.1039/C6CE01668E","","","0.71073","MoKα","","0.0412","0.037","","","0.0917","0.0942","","","","","","1.037","","","","has coordinates,has disorder","188103","2020-10-21","18:00:00",""
"7226585","10.464","0.0004","12.0162","0.0005","13.1846","0.0005","83.78","0.003","86.014","0.003","75.659","0.004","1595.12","0.11","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H35 Eu N4 O12 -","- C28 H35 Eu N4 O12 -","- C56 H70 Eu2 N8 O24 -","2","1","","Qian, Jinjie; Yu, Panpan; Huang, Shaoming","A microporous europium‒organic framework anchored with open ‒COOH groups for selective cation sensing","CrystEngComm","2016","18","41","7955","","10.1039/C6CE01801G","","","0.71073","MoKα","","0.035","0.0305","","","0.0672","0.0697","","","","","","1.036","","","","has coordinates","188076","2020-10-21","18:00:00",""
"7226586","10.4702","0.0004","12.0131","0.0005","13.1765","0.0006","83.827","0.004","85.92","0.004","75.686","0.004","1594.86","0.12","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 Eu N2 O10 -","- C22 H20 Eu N2 O10 -","- C44 H40 Eu2 N4 O20 -","2","1","","Qian, Jinjie; Yu, Panpan; Huang, Shaoming","A microporous europium‒organic framework anchored with open ‒COOH groups for selective cation sensing","CrystEngComm","2016","18","41","7955","","10.1039/C6CE01801G","","","1.54184","CuKα","","0.0292","0.0278","","","0.0725","0.0731","","","","","","1.044","","","","has coordinates","188076","2020-10-21","18:00:00",""
"7226587","8.3723","0.0005","10.0412","0.0005","15.094","0.0008","90","","90","","90","","1268.92","0.12","180.15","","180.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C5 H5 Br I3 N Pb -","- C5 H5 Br I3 N Pb -","- C20 H20 Br4 I12 N4 Pb4 -","4","1","","Gómez, Verónica; Fuhr, Olaf; Ruben, Mario","Structural diversity in substituted-pyridinium iodo- and bromoplumbates: a matter of halide and temperature","CrystEngComm","2016","18","42","8207","","10.1039/C6CE01684G","","x-ray","0.71073","MoKα","","0.054","0.053","","","0.1298","0.1312","","","","","","1.1","","","","has coordinates","188108","2020-10-21","18:00:00",""
"7226588","23.01","0.002","9.6665","0.0007","11.1481","0.0012","90","","107.617","0.008","90","","2363.3","0.4","180.15","","180.15","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C20 H20 Br4 I10 N4 Pb3 -","- C20 H20 Br4 I10 N4 Pb3 -","- C40 H40 Br8 I20 N8 Pb6 -","2","0.25","","Gómez, Verónica; Fuhr, Olaf; Ruben, Mario","Structural diversity in substituted-pyridinium iodo- and bromoplumbates: a matter of halide and temperature","CrystEngComm","2016","18","42","8207","","10.1039/C6CE01684G","","x-ray","0.71073","MoKα","","0.0245","0.0232","","","0.0559","0.0564","","","","","","1.124","","","","has coordinates,has disorder","188108","2020-10-21","18:00:00",""
"7226589","12.1436","0.0014","8.7824","0.0006","9.4776","0.0011","90","","99.676","0.009","90","","996.41","0.18","180.15","","180.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Br2 I4 N2 Pb -","- C10 H10 Br2 I4 N2 Pb -","- C20 H20 Br4 I8 N4 Pb2 -","2","0.5","","Gómez, Verónica; Fuhr, Olaf; Ruben, Mario","Structural diversity in substituted-pyridinium iodo- and bromoplumbates: a matter of halide and temperature","CrystEngComm","2016","18","42","8207","","10.1039/C6CE01684G","","","0.71073","MoKα","","0.0782","0.0683","","","0.1872","0.2024","","","","","","1.051","","","","has coordinates","188108","2020-10-21","18:00:00",""
"7226590","12.0812","0.0011","22.6","0.002","8.8122","0.0008","90","","102.175","0.007","90","","2351.9","0.4","180.15","","180.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Br4 I10 N4 Pb3 -","- C20 H20 Br4 I10 N4 Pb3 -","- C40 H40 Br8 I20 N8 Pb6 -","2","0.5","","Gómez, Verónica; Fuhr, Olaf; Ruben, Mario","Structural diversity in substituted-pyridinium iodo- and bromoplumbates: a matter of halide and temperature","CrystEngComm","2016","18","42","8207","","10.1039/C6CE01684G","","x-ray","0.71073","MoKα","","0.136","0.08","","","0.1879","0.214","","","","","","0.978","","","","has coordinates,has disorder","188108","2020-10-21","18:00:00",""
"7226591","11.0224","0.0007","14.7278","0.0007","8.0001","0.0005","90","","100.14","0.005","90","","1278.42","0.13","180.15","","180.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H5 Cl I3 N Pb -","- C5 H5 Cl I3 N Pb -","- C20 H20 Cl4 I12 N4 Pb4 -","4","1","","Gómez, Verónica; Fuhr, Olaf; Ruben, Mario","Structural diversity in substituted-pyridinium iodo- and bromoplumbates: a matter of halide and temperature","CrystEngComm","2016","18","42","8207","","10.1039/C6CE01684G","","x-ray","0.71073","MoKα","","0.0309","0.0277","","","0.07","0.0717","","","","","","1.07","","","","has coordinates","188108","2020-10-21","18:00:00",""
"7226592","20.9773","0.001","8.314","0.0003","14.4916","0.0008","90","","90","","90","","2527.4","0.2","180.15","","180.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C5 H5 Cl I3 N Pb -","- C5 H5 Cl I3 N Pb -","- C40 H40 Cl8 I24 N8 Pb8 -","8","2","","Gómez, Verónica; Fuhr, Olaf; Ruben, Mario","Structural diversity in substituted-pyridinium iodo- and bromoplumbates: a matter of halide and temperature","CrystEngComm","2016","18","42","8207","","10.1039/C6CE01684G","","x-ray","0.71073","MoKα","","0.0409","0.026","","","0.0452","0.0474","","","","","","0.871","","","","has coordinates","188108","2020-10-21","18:00:00",""
"7226593","8.6645","0.0004","22.3952","0.001","12.1729","0.0005","90","","103.179","0.003","90","","2299.86","0.18","180.15","","180.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H20 Cl4 I10 N4 Pb3 -","- C20 H20 Cl4 I10 N4 Pb3 -","- C40 H40 Cl8 I20 N8 Pb6 -","2","1","","Gómez, Verónica; Fuhr, Olaf; Ruben, Mario","Structural diversity in substituted-pyridinium iodo- and bromoplumbates: a matter of halide and temperature","CrystEngComm","2016","18","42","8207","","10.1039/C6CE01684G","","","0.71073","MoKα","","0.0953","0.0872","","","0.215","0.2238","","","","","","1.048","","","","has coordinates","188108","2020-10-21","18:00:00",""
"7226594","14.9503","0.001","8.0231","0.0006","21.786","0.002","90","","90","","90","","2613.2","0.4","180.15","","180.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H8 I3 N Pb -","- C6 H8 I3 N Pb -","- C48 H64 I24 N8 Pb8 -","8","1","","Gómez, Verónica; Fuhr, Olaf; Ruben, Mario","Structural diversity in substituted-pyridinium iodo- and bromoplumbates: a matter of halide and temperature","CrystEngComm","2016","18","42","8207","","10.1039/C6CE01684G","","x-ray","0.71073","MoKα","","0.0281","0.0187","","","0.0348","0.0365","","","","","","0.929","","","","has coordinates","188108","2020-10-21","18:00:00",""
"7226595","7.9441","0.0006","10.5453","0.0003","15.663","0.0006","90","","90","","90","","1312.14","0.12","180.15","","180.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H8 I3 N Pb -","- C6 H8 I3 N Pb -","- C24 H32 I12 N4 Pb4 -","4","0.5","","Gómez, Verónica; Fuhr, Olaf; Ruben, Mario","Structural diversity in substituted-pyridinium iodo- and bromoplumbates: a matter of halide and temperature","CrystEngComm","2016","18","42","8207","","10.1039/C6CE01684G","","x-ray","0.71073","MoKα","","0.0326","0.0256","","","0.0613","0.0635","","","","","","0.975","","","","has coordinates,has disorder","188108","2020-10-21","18:00:00",""
"7226596","9.1279","0.0006","8.0558","0.0004","15.7073","0.0011","90","","103.014","0.006","90","","1125.33","0.12","180.15","","180.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H5 Br4 N Pb -","- C5 H5 Br4 N Pb -","- C20 H20 Br16 N4 Pb4 -","4","1","","Gómez, Verónica; Fuhr, Olaf; Ruben, Mario","Structural diversity in substituted-pyridinium iodo- and bromoplumbates: a matter of halide and temperature","CrystEngComm","2016","18","42","8207","","10.1039/C6CE01684G","","","0.71073","MoKα","","0.0435","0.0383","","","0.0927","0.0948","","","","","","0.994","","","","has coordinates","188108","2020-10-21","18:00:00",""
"7226597","8.2011","0.0005","24.015","0.002","9.0459","0.0005","90","","90","","90","","1781.6","0.2","180.15","","180.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C10 H10 Br6 N2 Pb -","- C10 H10 Br6 N2 Pb -","- C40 H40 Br24 N8 Pb4 -","4","0.5","","Gómez, Verónica; Fuhr, Olaf; Ruben, Mario","Structural diversity in substituted-pyridinium iodo- and bromoplumbates: a matter of halide and temperature","CrystEngComm","2016","18","42","8207","","10.1039/C6CE01684G","","x-ray","0.71073","MoKα","","0.1123","0.0805","","","0.1887","0.204","","","","","","0.955","","","","has coordinates","188108","2020-10-21","18:00:00",""
"7226598","20.1312","0.0007","8.0508","0.0003","13.6068","0.0007","90","","90","","90","","2205.28","0.16","180.15","","180.15","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C5 H5 Br4 N Pb -","- C5 H5 Br4 N Pb -","- C40 H40 Br32 N8 Pb8 -","8","2","","Gómez, Verónica; Fuhr, Olaf; Ruben, Mario","Structural diversity in substituted-pyridinium iodo- and bromoplumbates: a matter of halide and temperature","CrystEngComm","2016","18","42","8207","","10.1039/C6CE01684G","","x-ray","0.71073","MoKα","","0.0315","0.0273","","","0.0642","0.0656","","","","","","1.022","","","","has coordinates","188108","2020-10-21","18:00:00",""
"7226599","19.8954","0.0018","8.0101","0.0006","13.5899","0.0012","90","","90","","90","","2165.7","0.3","180.15","","180.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C5 H5 Br3 Cl N Pb -","- C5 H5 Br3 Cl N Pb -","- C40 H40 Br24 Cl8 N8 Pb8 -","8","2","","Gómez, Verónica; Fuhr, Olaf; Ruben, Mario","Structural diversity in substituted-pyridinium iodo- and bromoplumbates: a matter of halide and temperature","CrystEngComm","2016","18","42","8207","","10.1039/C6CE01684G","","x-ray","0.71073","MoKα","","0.0461","0.031","","","0.0651","0.069","","","","","","0.936","","","","has coordinates","188108","2020-10-21","18:00:00",""
"7226600","9.2804","0.0007","8.029","0.0004","15.4764","0.0012","90","","103.89","0.006","90","","1119.46","0.14","180.15","","180.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 Br3 N Pb -","- C6 H8 Br3 N Pb -","- C24 H32 Br12 N4 Pb4 -","4","1","","Gómez, Verónica; Fuhr, Olaf; Ruben, Mario","Structural diversity in substituted-pyridinium iodo- and bromoplumbates: a matter of halide and temperature","CrystEngComm","2016","18","42","8207","","10.1039/C6CE01684G","","x-ray","0.71073","MoKα","","0.0397","0.024","","","0.0441","0.0466","","","","","","0.877","","","","has coordinates","188108","2020-10-21","18:00:00",""
"7226601","13.842","0.003","7.74","0.0015","21.22","0.004","90","","90","","90","","2273.4","0.8","180.15","","180.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H8 Br3 N Pb -","- C6 H8 Br3 N Pb -","- C48 H64 Br24 N8 Pb8 -","8","1","","Gómez, Verónica; Fuhr, Olaf; Ruben, Mario","Structural diversity in substituted-pyridinium iodo- and bromoplumbates: a matter of halide and temperature","CrystEngComm","2016","18","42","8207","","10.1039/C6CE01684G","","","0.71073","MoKα","","0.0322","0.022","","","0.0454","0.0477","","","","","","0.934","","","","has coordinates","188108","2020-10-21","18:00:00",""
"7226608","22.268","","8.67","","7.99","","90","","95.1","","90","","1536.47","","120","","120","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","Acetone","Acetone","- C3 O -","- C3 O -","- C48 O16 -","16","4","","Ferrer, P.; da Silva, I.; Puente-Orench, I.","Solid acetone structure dependence on pressure: a new fibre textured thin film crystallographic structure studied by grazing-incidence X-ray diffraction","CrystEngComm","2016","18","42","8220","","10.1039/C6CE01333C","powder diffraction","x-ray","0.826","synchrotron","","","","","","","","","","","","","","","","","has coordinates","188107","2020-10-21","18:00:00",""
"7226609","21.8891","0.0018","9.107","0.0008","32.038","0.003","90","","124.121","0.002","90","","5287.2","0.8","298","2","298","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C42 H26 N2 O8 Tb -","- C42 H26 N2 O8 Tb -","- C168 H104 N8 O32 Tb4 -","4","1","","Yao, Qingxia; Fan, Yerong; Wang, Zhan; Duan, Wenzeng; Wang, Suna; Li, Yunwu; Li, Dacheng; Zhang, Qingfu; Du, Yuchang; Dou, Jianmin","Coexistence of self- and interpenetration in two (3,6)-connected porous coordination polymers","CrystEngComm","2016","18","44","8574","","10.1039/C6CE01705C","","","0.71073","MoKα","","0.1024","0.0548","","","0.0992","0.1051","","","","","","1.01","","","","has coordinates,has disorder","190090","2020-10-21","18:00:00",""
"7226626","18.4148","0.0009","29.5574","0.0015","16.3155","0.0008","90","","119.269","0.001","90","","7746.7","0.7","296.15","","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C104 H66 Cd6 N2 Na6 O51 -","- C104 H66 Cd6 N2 Na6 O51 -","- C208 H132 Cd12 N4 Na12 O102 -","2","0.25","","Wang, Kangcai; Liu, Tianlin; Liu, Yuji; Tian, Xin; Sun, Jie; Zhang, Qinghua","Fluorescent heterometallic MOFs: tunable framework charges and application for explosives detection","CrystEngComm","2016","18","42","8301","","10.1039/C6CE01818A","","","0.71073","MoKα","","0.0552","0.0406","","","0.1128","0.1234","","","","","","1.025","","","","has coordinates","188102","2020-10-21","18:00:00",""
"7226627","18.9895","0.0013","28.481","0.002","16.9587","0.0018","90","","119.896","0.002","90","","7951.4","1.2","100","2","100.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C96 H48 Cd6 K2 Na4 O51 -","- C96 H48 Cd6 K2 Na4 O51 -","- C192 H96 Cd12 K4 Na8 O102 -","2","0.25","","Wang, Kangcai; Liu, Tianlin; Liu, Yuji; Tian, Xin; Sun, Jie; Zhang, Qinghua","Fluorescent heterometallic MOFs: tunable framework charges and application for explosives detection","CrystEngComm","2016","18","42","8301","","10.1039/C6CE01818A","","","0.71073","MoKα","","0.0899","0.0549","","","0.1456","0.1707","","","","","","1.048","","","","has coordinates","188102","2020-10-21","18:00:00",""
"7226628","19.2145","0.0017","26.4088","0.0017","17.7174","0.0012","90","","118.431","0.002","90","","7906.1","1","296.15","","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C63 H49 Cd3 K3 N4 O29 -","- C63 H49 Cd3 K3 N4 O29 -","- C252 H196 Cd12 K12 N16 O116 -","4","0.5","","Wang, Kangcai; Liu, Tianlin; Liu, Yuji; Tian, Xin; Sun, Jie; Zhang, Qinghua","Fluorescent heterometallic MOFs: tunable framework charges and application for explosives detection","CrystEngComm","2016","18","42","8301","","10.1039/C6CE01818A","","","0.71073","MoKα","","0.0979","0.0697","","","0.1629","0.1934","","","","","","1.072","","","","has coordinates,has disorder","188102","2020-10-21","18:00:00",""
"7226629","18.5166","0.0007","29.4652","0.0008","16.385","0.0004","90","","119.388","0.003","90","","7789.2","0.5","294.39","","294.39","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C104 H66 Cd6 Mg6 N2 O57 -","- C104 H66 Cd6 Mg6 N2 O57 -","- C208 H132 Cd12 Mg12 N4 O114 -","2","0.25","","Wang, Kangcai; Liu, Tianlin; Liu, Yuji; Tian, Xin; Sun, Jie; Zhang, Qinghua","Fluorescent heterometallic MOFs: tunable framework charges and application for explosives detection","CrystEngComm","2016","18","42","8301","","10.1039/C6CE01818A","","","1.54178","CuKα","","0.0836","0.0624","","","0.1628","0.1829","","","","","","1.031","","","","has coordinates","188102","2020-10-21","18:00:00",""
"7226630","19.999","0.0011","18.6284","0.0011","35.123","0.002","90","","90","","90","","13085.1","1.3","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C76 H67 Ca2 Cd4 N5 O35 -","- C76 H67 Ca2 Cd4 N5 O35 -","- C304 H268 Ca8 Cd16 N20 O140 -","4","1","","Wang, Kangcai; Liu, Tianlin; Liu, Yuji; Tian, Xin; Sun, Jie; Zhang, Qinghua","Fluorescent heterometallic MOFs: tunable framework charges and application for explosives detection","CrystEngComm","2016","18","42","8301","","10.1039/C6CE01818A","","","0.71073","MoKα","","0.083","0.0736","","","0.1774","0.1819","","","","","","1.05","","","","has coordinates","188102","2020-10-21","18:00:00",""
"7226631","20.8809","0.001","10.6287","0.0004","16.6021","0.0007","90","","115.3","0.005","90","","3331.2","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 Cd N4 O5 -","- C14 H18 Cd N4 O5 -","- C112 H144 Cd8 N32 O40 -","8","1","","Yang, Jin-Xia; Qin, Ye-Yan; Ye, Run-Ping; Zhang, Xin; Yao, Yuan-Gen","Employing mixed-ligand strategy to construct a series of luminescent Cd(ii) compounds with structural diversities","CrystEngComm","2016","18","42","8309","","10.1039/C6CE01607C","","","0.71073","MoKα","","0.0375","0.0289","","","0.0626","0.0675","","","","","","1.006","","","","has coordinates","188104","2020-10-21","18:00:00",""
"7226632","7.5703","0.0005","7.9467","0.0005","10.1633","0.0007","76.859","0.006","81.936","0.006","68.543","0.006","553.03","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H11 Cd N3 O6 -","- C7 H11 Cd N3 O6 -","- C14 H22 Cd2 N6 O12 -","2","1","","Yang, Jin-Xia; Qin, Ye-Yan; Ye, Run-Ping; Zhang, Xin; Yao, Yuan-Gen","Employing mixed-ligand strategy to construct a series of luminescent Cd(ii) compounds with structural diversities","CrystEngComm","2016","18","42","8309","","10.1039/C6CE01607C","","","0.71073","MoKα","","0.0256","0.0228","","","0.0546","0.0561","","","","","","1.064","","","","has coordinates","188104","2020-10-21","18:00:00",""
"7226633","9.3607","0.0004","8.3293","0.0004","15.9905","0.001","90","","113.611","0.004","90","","1142.38","0.11","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C10 H13 Cd N2 O4 -","- C10 H13 Cd N2 O4 -","- C40 H52 Cd4 N8 O16 -","4","1","","Yang, Jin-Xia; Qin, Ye-Yan; Ye, Run-Ping; Zhang, Xin; Yao, Yuan-Gen","Employing mixed-ligand strategy to construct a series of luminescent Cd(ii) compounds with structural diversities","CrystEngComm","2016","18","42","8309","","10.1039/C6CE01607C","","","0.71073","MoKα","","0.0453","0.0316","","","0.0796","0.0931","","","","","","1.042","","","","has coordinates","188104","2020-10-21","18:00:00",""
"7226634","5.1689","0.0004","8.3362","0.0007","9.9402","0.0008","102.695","0.007","95.013","0.007","93.047","0.007","415.09","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 Cd N4 O4 -","- C16 H20 Cd N4 O4 -","- C16 H20 Cd N4 O4 -","1","0.5","","Yang, Jin-Xia; Qin, Ye-Yan; Ye, Run-Ping; Zhang, Xin; Yao, Yuan-Gen","Employing mixed-ligand strategy to construct a series of luminescent Cd(ii) compounds with structural diversities","CrystEngComm","2016","18","42","8309","","10.1039/C6CE01607C","","","0.71073","MoKα","","0.0305","0.03","","","0.0697","0.0702","","","","","","1.059","","","","has coordinates","188104","2020-10-21","18:00:00",""
"7226635","17.6907","0.0005","16.1672","0.0004","16.8283","0.0004","90","","90","","90","","4813","0.2","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C18 H34 Cd N4 O7 -","- C18 H34 Cd N4 O7 -","- C144 H272 Cd8 N32 O56 -","8","1","","Yang, Jin-Xia; Qin, Ye-Yan; Ye, Run-Ping; Zhang, Xin; Yao, Yuan-Gen","Employing mixed-ligand strategy to construct a series of luminescent Cd(ii) compounds with structural diversities","CrystEngComm","2016","18","42","8309","","10.1039/C6CE01607C","","","0.71073","MoKα","","0.0786","0.0631","","","0.2166","0.2317","","","","","","1.019","","","","has coordinates","188104","2020-10-21","18:00:00",""
"7226636","8.8482","0.0005","10.5491","0.0005","12.8133","0.0006","86.422","0.004","73.769","0.004","83.139","0.004","1139.58","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H21 Cd2 N6 O8 -","- C19 H21 Cd2 N6 O8 -","- C38 H42 Cd4 N12 O16 -","2","1","","Yang, Jin-Xia; Qin, Ye-Yan; Ye, Run-Ping; Zhang, Xin; Yao, Yuan-Gen","Employing mixed-ligand strategy to construct a series of luminescent Cd(ii) compounds with structural diversities","CrystEngComm","2016","18","42","8309","","10.1039/C6CE01607C","","","0.71073","MoKα","","0.0349","0.0271","","","0.0566","0.0615","","","","","","1.015","","","","has coordinates","188104","2020-10-21","18:00:00",""
"7226637","28.3889","0.0016","7.3715","0.0005","9.0819","0.0005","90","","92.276","0.005","90","","1899.1","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H9 Cd N2 O4 -","- C8 H9 Cd N2 O4 -","- C64 H72 Cd8 N16 O32 -","8","1","","Yang, Jin-Xia; Qin, Ye-Yan; Ye, Run-Ping; Zhang, Xin; Yao, Yuan-Gen","Employing mixed-ligand strategy to construct a series of luminescent Cd(ii) compounds with structural diversities","CrystEngComm","2016","18","42","8309","","10.1039/C6CE01607C","","","0.71073","MoKα","","0.0255","0.0232","","","0.0603","0.0622","","","","","","1.025","","","","has coordinates","188104","2020-10-21","18:00:00",""
"7226638","8.3519","0.0003","10.8757","0.0008","18.006","0.001","106.753","0.006","91.98","0.004","94.345","0.004","1558.89","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H45 Cd N6 O9 -","- C24 H45 Cd N6 O9 -","- C48 H90 Cd2 N12 O18 -","2","1","","Yang, Jin-Xia; Qin, Ye-Yan; Ye, Run-Ping; Zhang, Xin; Yao, Yuan-Gen","Employing mixed-ligand strategy to construct a series of luminescent Cd(ii) compounds with structural diversities","CrystEngComm","2016","18","42","8309","","10.1039/C6CE01607C","","","0.71073","MoKα","","0.0867","0.0663","","","0.1677","0.1858","","","","","","1.054","","","","has coordinates","188104","2020-10-21","18:00:00",""
"7226639","12.403","0.004","19.548","0.007","18.963","0.007","90","","103.787","0.006","90","","4465","3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H84 Co2 Dy4 N10 O34 -","- C74 H84 Co2 Dy4 N10 O34 -","- C148 H168 Co4 Dy8 N20 O68 -","2","0.5","","Zhang, Haifeng; Liu, Rui; Zhang, Jin; Li, Yahong; Liu, Wei","Chair-like [LnIII4CoIII2] (Ln = Dy, Eu, Gd, Tb) clusters including a [DyIII4CoIII2] single molecule magnet","CrystEngComm","2016","18","42","8246","","10.1039/C6CE01589A","","","0.71073","MoKα","","0.0562","0.0324","","","0.0763","0.085","","","","","","1.018","","","","has coordinates","188105","2020-10-21","18:00:00",""
"7226640","12.4424","0.0019","19.73","0.003","19.024","0.003","90","","104.094","0.002","90","","4529.6","1.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H84 Co2 Eu4 N10 O34 -","- C74 H84 Co2 Eu4 N10 O34 -","- C148 H168 Co4 Eu8 N20 O68 -","2","0.5","","Zhang, Haifeng; Liu, Rui; Zhang, Jin; Li, Yahong; Liu, Wei","Chair-like [LnIII4CoIII2] (Ln = Dy, Eu, Gd, Tb) clusters including a [DyIII4CoIII2] single molecule magnet","CrystEngComm","2016","18","42","8246","","10.1039/C6CE01589A","","","0.71073","MoKα","","0.0702","0.0385","","","0.0918","0.1059","","","","","","1.049","","","","has coordinates","188105","2020-10-21","18:00:00",""
"7226641","12.443","0.003","19.742","0.004","19.009","0.004","90","","104.077","0.003","90","","4529.3","1.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H84 Co2 Gd4 N10 O34 -","- C74 H84 Co2 Gd4 N10 O34 -","- C148 H168 Co4 Gd8 N20 O68 -","2","0.5","","Zhang, Haifeng; Liu, Rui; Zhang, Jin; Li, Yahong; Liu, Wei","Chair-like [LnIII4CoIII2] (Ln = Dy, Eu, Gd, Tb) clusters including a [DyIII4CoIII2] single molecule magnet","CrystEngComm","2016","18","42","8246","","10.1039/C6CE01589A","","","0.71073","MoKα","","0.069","0.046","","","0.1184","0.132","","","","","","0.995","","","","has coordinates","188105","2020-10-21","18:00:00",""
"7226642","12.371","0.002","19.544","0.003","18.941","0.003","90","","103.988","0.003","90","","4443.7","1.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H84 Co2 N10 O34 Tb4 -","- C74 H84 Co2 N10 O34 Tb4 -","- C148 H168 Co4 N20 O68 Tb8 -","2","0.5","","Zhang, Haifeng; Liu, Rui; Zhang, Jin; Li, Yahong; Liu, Wei","Chair-like [LnIII4CoIII2] (Ln = Dy, Eu, Gd, Tb) clusters including a [DyIII4CoIII2] single molecule magnet","CrystEngComm","2016","18","42","8246","","10.1039/C6CE01589A","","","0.71073","MoKα","","0.0923","0.047","","","0.0907","0.1059","","","","","","1.019","","","","has coordinates","188105","2020-10-21","18:00:00",""
"7226643","11.717","0.006","17.333","0.009","8.824","0.005","90","","106.29","0.006","90","","1720.1","1.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H36 N8 O6 -","- C34 H36 N8 O6 -","- C68 H72 N16 O12 -","2","0.5","","Tedesco, Consiglia; Meli, Alessandra; Macedi, Eleonora; Iuliano, Veronica; Ricciardulli, Antonio G.; De Riccardis, Francesco; Vaughan, Gavin B. M.; Smith, Vincent J.; Barbour, Leonard J.; Izzo, Irene","Ring size effect on the solid state assembly of propargyl substituted hexa- and octacyclic peptoids","CrystEngComm","2016","18","46","8838","","10.1039/C6CE01800A","","","0.2952","Synchrotron","","0.0809","0.0678","","","0.2034","0.2189","","","","","","1.113","","","","has coordinates","190069","2020-10-21","18:00:00",""
"7226644","13.022","0.002","17.377","0.003","8.6788","0.0015","90","","102.255","0.004","90","","1919.1","0.6","100","0.5","100","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H46 N6 O10 S2 -","- C34 H42 N6 O10 S2 -","- C68 H84 N12 O20 S4 -","2","0.5","","Tedesco, Consiglia; Meli, Alessandra; Macedi, Eleonora; Iuliano, Veronica; Ricciardulli, Antonio G.; De Riccardis, Francesco; Vaughan, Gavin B. M.; Smith, Vincent J.; Barbour, Leonard J.; Izzo, Irene","Ring size effect on the solid state assembly of propargyl substituted hexa- and octacyclic peptoids","CrystEngComm","2016","18","46","8838","","10.1039/C6CE01800A","","x-ray","0.71073","MoKα","","0.1987","0.1145","","","0.2724","0.363","","","","","","1.003","","","","has coordinates","190069","2020-10-21","18:00:00",""
"7226645","29.138","0.011","8.033","0.002","21.635","0.008","90","","118.774","0.007","90","","4439","3","100","2","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H48 N8 O10 -","- C42 H48 N8 O10 -","- C168 H192 N32 O40 -","4","0.5","","Tedesco, Consiglia; Meli, Alessandra; Macedi, Eleonora; Iuliano, Veronica; Ricciardulli, Antonio G.; De Riccardis, Francesco; Vaughan, Gavin B. M.; Smith, Vincent J.; Barbour, Leonard J.; Izzo, Irene","Ring size effect on the solid state assembly of propargyl substituted hexa- and octacyclic peptoids","CrystEngComm","2016","18","46","8838","","10.1039/C6CE01800A","","","0.71073","MoKα","","0.2229","0.089","","","0.1798","0.2361","","","","","","0.977","","","","has coordinates","190069","2020-10-21","18:00:00",""
"7226646","29.227","0.011","7.997","0.003","21.68","0.008","90","","119.615","0.007","90","","4405","3","100","0.5","100","0.5","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C41 H48 N8 O11 -","- C41 H45 N8 O11 -","- C164 H180 N32 O44 -","4","0.5","","Tedesco, Consiglia; Meli, Alessandra; Macedi, Eleonora; Iuliano, Veronica; Ricciardulli, Antonio G.; De Riccardis, Francesco; Vaughan, Gavin B. M.; Smith, Vincent J.; Barbour, Leonard J.; Izzo, Irene","Ring size effect on the solid state assembly of propargyl substituted hexa- and octacyclic peptoids","CrystEngComm","2016","18","46","8838","","10.1039/C6CE01800A","","x-ray","0.71073","MoKα","","0.1474","0.0967","","","0.238","0.2725","","","","","","1.063","","","","has coordinates,has disorder","190069","2020-10-21","18:00:00",""
"7226647","29.25","0.012","7.997","0.003","21.648","0.009","90","","120.242","0.009","90","","4375","3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H48 N8 O12 -","- C40 H40 N8 O12 -","- C160 H160 N32 O48 -","4","0.5","","Tedesco, Consiglia; Meli, Alessandra; Macedi, Eleonora; Iuliano, Veronica; Ricciardulli, Antonio G.; De Riccardis, Francesco; Vaughan, Gavin B. M.; Smith, Vincent J.; Barbour, Leonard J.; Izzo, Irene","Ring size effect on the solid state assembly of propargyl substituted hexa- and octacyclic peptoids","CrystEngComm","2016","18","46","8838","","10.1039/C6CE01800A","","","0.71073","MoKα","","0.2658","0.1178","","","0.2771","0.3762","","","","","","0.988","","","","has coordinates,has disorder","190069","2020-10-21","18:00:00",""
"7226648","29.177","0.01","7.999","0.002","21.586","0.007","90","","119.075","0.007","90","","4403","2","100","0.5","100","0.5","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C41.56 H48 N8 O10.44 -","- C41.564 H46.692 N8 O10.436 -","- C166.256 H186.768 N32 O41.744 -","4","0.5","","Tedesco, Consiglia; Meli, Alessandra; Macedi, Eleonora; Iuliano, Veronica; Ricciardulli, Antonio G.; De Riccardis, Francesco; Vaughan, Gavin B. M.; Smith, Vincent J.; Barbour, Leonard J.; Izzo, Irene","Ring size effect on the solid state assembly of propargyl substituted hexa- and octacyclic peptoids","CrystEngComm","2016","18","46","8838","","10.1039/C6CE01800A","","","0.71073","MoKα","","0.2146","0.1105","","","0.2591","0.3272","","","","","","1.083","","","","has coordinates,has disorder","190069","2020-10-21","18:00:00",""
"7226649","19.3577","0.0013","19.3577","0.0013","11.0242","0.0015","90","","90","","90","","4131","0.7","293","2","293","2","","","","","","","","6","P 4/n m m :2","-P 4a 2a","129","","","","- C28 H20 Cu8 I4 N4 O20 -","- C28 H12 Cu8 I4 N4 O20 -","- C56 H24 Cu16 I8 N8 O40 -","2","0.125","","Wang, Guoming; Xue, Zhenzhen; Pan, Jie; Wei, Li; Han, Songde; Qian, Jinjie; Wang, Zonghua","Ligand-oriented assembly of a porous metal‒organic framework by [CuI4I4] clusters and paddle-wheel [CuII2(COO)4(H2O)2] subunits","CrystEngComm","2016","18","43","8362","","10.1039/C6CE01954D","","","0.71073","MoKα","","0.0791","0.07","","","0.1972","0.2075","","","","","","1.012","","","","has coordinates","188087","2020-10-21","18:00:00",""
"7226658","12.572","0.003","16.149","0.004","19.077","0.005","90","","100.52","0.005","90","","3808","1.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H31 N7 O6.5 Pb S2 -","- C35 H31 N7 O6.5 Pb S2 -","- C140 H124 N28 O26 Pb4 S8 -","4","1","","Sousa-Pedrares, Antonio; Crespo, Augusto; Durán, María L.; García-Vázquez, José A.","Directing effects of aminosulfonyl groups on the crystal packing of tin and lead complexes","CrystEngComm","2016","18","43","8419","","10.1039/C6CE01567K","","","0.71073","MoKα","","0.1513","0.0551","","","0.1082","0.1477","","","","","","1.022","","","","has coordinates","188082","2020-10-21","18:00:00",""
"7226659","14.5188","0.0004","7.6162","0.0002","27.7076","0.0007","90","","102.505","0.002","90","","2991.17","0.14","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H29 N7 O7 S2 Sn -","- C25 H29 N7 O7 S2 Sn -","- C100 H116 N28 O28 S8 Sn4 -","4","1","","Sousa-Pedrares, Antonio; Crespo, Augusto; Durán, María L.; García-Vázquez, José A.","Directing effects of aminosulfonyl groups on the crystal packing of tin and lead complexes","CrystEngComm","2016","18","43","8419","","10.1039/C6CE01567K","","","0.71073","MoKα","","0.0603","0.0415","","","0.0735","0.078","","","","","","1.102","","","","has coordinates","188082","2020-10-21","18:00:00",""
"7226660","10.0349","0.0003","15.1394","0.0005","26.2883","0.0009","90","","97.571","0.002","90","","3959","0.2","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C39 H37 N9 O6 S2 Sn -","- C39 H37 N9 O6 S2 Sn -","- C156 H148 N36 O24 S8 Sn4 -","4","0.5","","Sousa-Pedrares, Antonio; Crespo, Augusto; Durán, María L.; García-Vázquez, José A.","Directing effects of aminosulfonyl groups on the crystal packing of tin and lead complexes","CrystEngComm","2016","18","43","8419","","10.1039/C6CE01567K","","","0.71073","MoKα","","0.021","0.019","","","0.0455","0.0464","","","","","","1.045","","","","has coordinates","188082","2020-10-21","18:00:00",""
"7226661","14.6879","0.0003","18.3871","0.0004","12.6439","0.0003","90","","90","","90","","3414.71","0.13","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C35 H31 N7 O6 S2 Sn -","- C35 H31 N7 O6 S2 Sn -","- C140 H124 N28 O24 S8 Sn4 -","4","0.5","","Sousa-Pedrares, Antonio; Crespo, Augusto; Durán, María L.; García-Vázquez, José A.","Directing effects of aminosulfonyl groups on the crystal packing of tin and lead complexes","CrystEngComm","2016","18","43","8419","","10.1039/C6CE01567K","","","0.71073","MoKα","","0.0309","0.0248","","","0.0566","0.0586","","","","","","1.052","","","","has coordinates","188082","2020-10-21","18:00:00",""
"7226662","10.3584","0.001","10.854","0.001","10.4469","0.001","90","","108.403","0.002","90","","1114.48","0.18","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","Clevudine (Form 1)","1-(2-Deoxy-2-fluoro-ß-L-arabinofuranosyl)-5-methyl-2,4-(1H,3H)-pyrimidinedione","","- C10 H13 F N2 O5 -","- C10 H13 F N2 O5 -","- C40 H52 F4 N8 O20 -","4","2","","Noonan, T. J.; Mzondo, B.; Bourne, S. A.; Caira, M. R.","Polymorphism of the antiviral agent clevudine","CrystEngComm","2016","18","42","8172","","10.1039/C6CE01975G","","","0.71073","MoKα","","0.0433","0.0418","","","0.1038","0.1049","","","","","","1.041","","","","has coordinates,has disorder","188106","2020-10-21","18:00:00",""
"7226663","8.9716","0.0009","5.3099","0.0005","11.8624","0.0011","90","","105.98","0.002","90","","543.27","0.09","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","Clevudine (Form 2)","1-(2-Deoxy-2-fluoro-ß-L-arabinofuranosyl)-5-methyl-2,4-(1H,3H)-pyrimidinedione","","- C10 H13 F N2 O5 -","- C10 H13 F N2 O5 -","- C20 H26 F2 N4 O10 -","2","1","","Noonan, T. J.; Mzondo, B.; Bourne, S. A.; Caira, M. R.","Polymorphism of the antiviral agent clevudine","CrystEngComm","2016","18","42","8172","","10.1039/C6CE01975G","","","0.71073","MoKα","","0.0295","0.0293","","","0.0767","0.0769","","","","","","1.053","","","","has coordinates","188106","2020-10-21","18:00:00",""
"7226664","10.4391","0.0013","16.017","0.002","13.8687","0.0018","90","","101.604","0.002","90","","2271.5","0.5","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","Clevudine (Form 3)","1-(2-Deoxy-2-fluoro-ß-L-arabinofuranosyl)-5-methyl-2,4-(1H,3H)-pyrimidinedione","","- C10 H13 F N2 O5 -","- C10 H13 F N2 O5 -","- C80 H104 F8 N16 O40 -","8","4","","Noonan, T. J.; Mzondo, B.; Bourne, S. A.; Caira, M. R.","Polymorphism of the antiviral agent clevudine","CrystEngComm","2016","18","42","8172","","10.1039/C6CE01975G","","","0.71073","MoKα","","0.0419","0.0355","","","0.0831","0.0862","","","","","","1.031","","","","has coordinates","188106","2020-10-21","18:00:00",""
"7226673","10.1347","0.0004","10.8799","0.0005","12.0819","0.0005","90","","101.789","0.002","90","","1304.1","0.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N O5 -","- C15 H14 N O5 -","- C60 H56 N4 O20 -","4","1","","Saikia, Basanta; Khatioda, Rajiv; Bora, Pranita; Sarma, Bipul","Pyridine N-oxides as coformers in the development of drug cocrystals","CrystEngComm","2016","18","43","8454","","10.1039/C6CE01838F","","","0.71073","MoKα","","0.0899","0.0527","","","0.1347","0.1603","","","","","","0.804","","","","has coordinates","188084","2020-10-21","18:00:00",""
"7226674","11.6691","0.0009","6.8681","0.0005","14.3968","0.0009","90","","95.62","0.005","90","","1148.28","0.14","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 N O3 -","- C13 H13 N O3 -","- C52 H52 N4 O12 -","4","1","","Saikia, Basanta; Khatioda, Rajiv; Bora, Pranita; Sarma, Bipul","Pyridine N-oxides as coformers in the development of drug cocrystals","CrystEngComm","2016","18","43","8454","","10.1039/C6CE01838F","","","0.71073","MoKα","","0.1009","0.0524","","","0.1293","0.1665","","","","","","0.79","","","","has coordinates","188084","2020-10-21","18:00:00",""
"7226675","15.589","0.0013","5.2685","0.0004","12.4962","0.001","90","","90","","90","","1026.32","0.14","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C10 H12 N2 O4 -","- C10 H12 N2 O4 -","- C40 H48 N8 O16 -","4","0.5","","Saikia, Basanta; Khatioda, Rajiv; Bora, Pranita; Sarma, Bipul","Pyridine N-oxides as coformers in the development of drug cocrystals","CrystEngComm","2016","18","43","8454","","10.1039/C6CE01838F","","","0.71073","MoKα","","0.2077","0.0422","","","0.1343","0.1713","","","","","","1.114","","","","has coordinates","188084","2020-10-21","18:00:00",""
"7226676","9.4702","0.0002","15.5487","0.0003","18.2269","0.0004","90","","102.059","0.0013","90","","2624.67","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C58 H80 N2 O6 -","- C58 H80 N2 O6 -","- C116 H160 N4 O12 -","2","0.5","","Saikia, Basanta; Khatioda, Rajiv; Bora, Pranita; Sarma, Bipul","Pyridine N-oxides as coformers in the development of drug cocrystals","CrystEngComm","2016","18","43","8454","","10.1039/C6CE01838F","","","0.71073","MoKα","","0.0569","0.0435","","","0.1113","0.1212","","","","","","1.05","","","","has coordinates","188084","2020-10-21","18:00:00",""
"7226677","10.977","0.003","12.112","0.004","16.439","0.005","90","","90","","90","","2185.6","1.1","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H22 N4 O6 -","- C24 H22 N4 O6 -","- C96 H88 N16 O24 -","4","0.5","","Saikia, Basanta; Khatioda, Rajiv; Bora, Pranita; Sarma, Bipul","Pyridine N-oxides as coformers in the development of drug cocrystals","CrystEngComm","2016","18","43","8454","","10.1039/C6CE01838F","","","0.71073","MoKα","","0.0586","0.0418","","","0.1127","0.1294","","","","","","0.868","","","","has coordinates","188084","2020-10-21","18:00:00",""
"7226678","10.5317","0.0011","8.5508","0.0008","21.75","0.002","90","","91.055","0.007","90","","1958.4","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 N5 O4 S2 -","- C19 H17 N5 O4 S2 -","- C76 H68 N20 O16 S8 -","4","1","","Saikia, Basanta; Khatioda, Rajiv; Bora, Pranita; Sarma, Bipul","Pyridine N-oxides as coformers in the development of drug cocrystals","CrystEngComm","2016","18","43","8454","","10.1039/C6CE01838F","","","0.71073","MoKα","","0.1539","0.0548","","","0.1443","0.1908","","","","","","0.75","","","","has coordinates","188084","2020-10-21","18:00:00",""
"7226679","12.3648","0.0003","7.733","0.0002","19.4502","0.0004","90","","114.44","0.001","90","","1693.13","0.07","170","2","170","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Sanguinarine","","- C21 H17 N O5 -","- C21 H17 N O5 -","- C84 H68 N4 O20 -","4","1","","Zhang, Qi; Jia, Lina; Wang, Jian-Rong; Mei, Xuefeng","Absolute asymmetric synthesis of a sanguinarine derivative through crystal‒solution interactions","CrystEngComm","2016","18","46","8834","","10.1039/C6CE01765G","","","1.54178","CuKα","","0.0469","0.0409","","","0.1013","0.1069","","","","","","1.046","","","","has coordinates","190068","2020-10-21","18:00:00",""
"7226680","7.7154","0.0002","9.5901","0.0003","22.5595","0.0006","90","","90","","90","","1669.21","0.08","170","2","170","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Sanguinarine","","- C21 H17 N O5 -","- C21 H17 N O5 -","- C84 H68 N4 O20 -","4","1","","Zhang, Qi; Jia, Lina; Wang, Jian-Rong; Mei, Xuefeng","Absolute asymmetric synthesis of a sanguinarine derivative through crystal‒solution interactions","CrystEngComm","2016","18","46","8834","","10.1039/C6CE01765G","","","1.54178","CuKα","","0.0421","0.037","","","0.0959","0.0999","","","","","","1.035","","","","has coordinates","190068","2020-10-21","18:00:00",""
"7226681","7.723","0.0002","9.6004","0.0003","22.5562","0.0007","90","","90","","90","","1672.4","0.09","170","2","170","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Sanguinarine","","- C21 H17 N O5 -","- C21 H17 N O5 -","- C84 H68 N4 O20 -","4","1","","Zhang, Qi; Jia, Lina; Wang, Jian-Rong; Mei, Xuefeng","Absolute asymmetric synthesis of a sanguinarine derivative through crystal‒solution interactions","CrystEngComm","2016","18","46","8834","","10.1039/C6CE01765G","","","1.54178","CuKα","","0.0391","0.0346","","","0.0996","0.1053","","","","","","0.98","","","","has coordinates","190068","2020-10-21","18:00:00",""
"7226684","51.107","0.013","9.448","0.003","18.492","0.005","90","","102.189","0.007","90","","8728","4","90","","90","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","UBMOF-3","","- C101 H61.01 N7 O27 Zn6 -","- C101 H61 N7 O27 Zn6 -","- C202 H122 N14 O54 Zn12 -","2","0.25","","Walton, Ian M.; Cox, Jordan M.; Mitchell, Travis B.; Bizier, Nicholas P.; Benedict, Jason B.","Structural response to desolvation in a pyridyl-phenanthrene diarylethene-based metal‒organic framework","CrystEngComm","2016","18","41","7972","","10.1039/C6CE01783E","","x-ray","0.71073","MoKα","","0.1527","0.1054","","","0.2852","0.3082","","","","","","1.039","","","","has coordinates,has disorder","188073","2020-10-21","18:00:00",""
"7226685","39.751","0.004","9.7399","0.0011","18.388","0.002","90","","91.374","0.004","90","","7117.2","1.3","90","","90","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C112 H48 N4 O24 S4 Zn6 -","- C112 H48 N4 O24 S4 Zn6 -","- C224 H96 N8 O48 S8 Zn12 -","2","0.25","","Walton, Ian M.; Cox, Jordan M.; Mitchell, Travis B.; Bizier, Nicholas P.; Benedict, Jason B.","Structural response to desolvation in a pyridyl-phenanthrene diarylethene-based metal‒organic framework","CrystEngComm","2016","18","41","7972","","10.1039/C6CE01783E","","x-ray","0.71073","MoKα","","0.1081","0.079","","","0.2163","0.2305","","","","","","1.087","","","","has coordinates,has disorder","188073","2020-10-21","18:00:00",""
"7226686","10.3907","0.0002","11.7359","0.0003","14.0932","0.0003","68.809","0.005","86.046","0.006","86.623","0.006","1597.49","0.08","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C35 H38 N2 O5 P S -","- C35 H38 N2 O5 P S -","- C70 H76 N4 O10 P2 S2 -","2","1","","Akutsu, Hiroki; Ishihara, Keita; Yamada, Jun-ichi; Nakatsuji, Shin'ichi; Turner, Scott S.; Nakazawa, Yasuhiro","A strongly polarized organic conductor","CrystEngComm","2016","18","42","8151","","10.1039/C6CE01865C","","","0.71075","MoKα","","0.0401","0.0347","","","0.0875","0.092","","","","","","1.091","","","","has coordinates","188101","2020-10-21","18:00:00",""
"7226687","11.3672","0.0002","8.53265","0.00015","45.911","0.003","90","","90","","90","","4453","0.3","150","","150","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C31 H40 N2 O8 S17 -","- C31 H40 N2 O8 S17 -","- C124 H160 N8 O32 S68 -","4","1","","Akutsu, Hiroki; Ishihara, Keita; Yamada, Jun-ichi; Nakatsuji, Shin'ichi; Turner, Scott S.; Nakazawa, Yasuhiro","A strongly polarized organic conductor","CrystEngComm","2016","18","42","8151","","10.1039/C6CE01865C","","","0.71075","MoKα","","0.0391","0.0342","","","0.0765","0.0784","","","","","","1.093","","","","has coordinates","188101","2020-10-21","18:00:00",""
"7226695","15.63","0.0011","12.6171","0.0007","5.4481","0.0004","90","","92.926","0.007","90","","1072.99","0.12","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H4 Br2 Ca O5 -","- C8 H4 Br2 Ca O5 -","- C32 H16 Br8 Ca4 O20 -","4","0.5","","Sun, Yuexin; Sun, Yayong; Zheng, Hao; Wang, Hongli; Han, Yi; Yang, Yu; Wang, Lei","Four calcium(ii) coordination polymers based on 2,5-dibromoterephthalic acid and different N-donor organic species: syntheses, structures, topologies, and luminescence properties","CrystEngComm","2016","18","44","8664","","10.1039/C6CE01709F","","","0.7107","MoKα","","0.0446","0.0365","","","0.0819","0.0896","","","","","","1.096","","","","has coordinates","190084","2020-10-21","18:00:00",""
"7226696","11.0693","0.0005","12.9647","0.0003","13.6267","0.0004","90","","90","","90","","1955.57","0.11","293","2","293","2","","","","","","","","6","P n n n","-P 2ab 2bc","48","","","","- C40 H30 Br4 Ca N4 O8 -","- C40 H30 Br4 Ca N4 O8 -","- C80 H60 Br8 Ca2 N8 O16 -","2","","","Sun, Yuexin; Sun, Yayong; Zheng, Hao; Wang, Hongli; Han, Yi; Yang, Yu; Wang, Lei","Four calcium(ii) coordination polymers based on 2,5-dibromoterephthalic acid and different N-donor organic species: syntheses, structures, topologies, and luminescence properties","CrystEngComm","2016","18","44","8664","","10.1039/C6CE01709F","","","0.7107","MoKα","","0.0476","0.0347","","","0.0796","0.0864","","","","","","1.035","","","","has coordinates","190084","2020-10-21","18:00:00",""
"7226697","10.0545","0.0006","11.5943","0.0006","12.401","0.0007","74.417","0.005","84.716","0.005","83.3","0.005","1380.21","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H32 Br8 Ca3 N4 O22 -","- C44 H32 Br8 Ca3 N4 O22 -","- C44 H32 Br8 Ca3 N4 O22 -","1","0.5","","Sun, Yuexin; Sun, Yayong; Zheng, Hao; Wang, Hongli; Han, Yi; Yang, Yu; Wang, Lei","Four calcium(ii) coordination polymers based on 2,5-dibromoterephthalic acid and different N-donor organic species: syntheses, structures, topologies, and luminescence properties","CrystEngComm","2016","18","44","8664","","10.1039/C6CE01709F","","","0.7107","MoKα","","0.0464","0.0342","","","0.0732","0.0791","","","","","","1.044","","","","has coordinates","190084","2020-10-21","18:00:00",""
"7226698","7.7834","0.0004","10.1301","0.0005","10.3277","0.0008","103.873","0.005","91.797","0.005","90.935","0.004","789.92","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H10 Br2 Ca N O6 -","- C13 H10 Br2 Ca N O6 -","- C26 H20 Br4 Ca2 N2 O12 -","2","1","","Sun, Yuexin; Sun, Yayong; Zheng, Hao; Wang, Hongli; Han, Yi; Yang, Yu; Wang, Lei","Four calcium(ii) coordination polymers based on 2,5-dibromoterephthalic acid and different N-donor organic species: syntheses, structures, topologies, and luminescence properties","CrystEngComm","2016","18","44","8664","","10.1039/C6CE01709F","","","0.7107","MoKα","","0.0479","0.0354","","","0.0679","0.0736","","","","","","1.043","","","","has coordinates","190084","2020-10-21","18:00:00",""
"7226714","14.5618","0.0003","16.5325","0.0004","31.0145","0.0007","90","","100.296","0.0009","90","","7346.3","0.3","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H34 F6 O4 S2 -","- C41 H34 F6 O4 S2 -","- C328 H272 F48 O32 S16 -","8","2","","Morimoto, Masakazu; Kashihara, Ryota; Mutoh, Katsuya; Kobayashi, Yoichi; Abe, Jiro; Sotome, Hikaru; Ito, Syoji; Miyasaka, Hiroshi; Irie, Masahiro","Turn-on mode fluorescence photoswitching of diarylethene single crystals","CrystEngComm","2016","18","38","7241","","10.1039/C6CE00725B","","","1.54178","","","0.049","0.0464","","","0.1175","0.1197","","","","","","1.067","","","","has coordinates,has disorder","186974","2020-10-21","18:00:00",""
"7226715","15.0294","0.0002","15.1977","0.0002","10.6992","0.0001","90","","107.778","0.0005","90","","2327.13","0.05","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H18 F6 O4 S2 -","- C25 H18 F6 O4 S2 -","- C100 H72 F24 O16 S8 -","4","0.5","","Morimoto, Masakazu; Kashihara, Ryota; Mutoh, Katsuya; Kobayashi, Yoichi; Abe, Jiro; Sotome, Hikaru; Ito, Syoji; Miyasaka, Hiroshi; Irie, Masahiro","Turn-on mode fluorescence photoswitching of diarylethene single crystals","CrystEngComm","2016","18","38","7241","","10.1039/C6CE00725B","","","1.54178","","","0.0372","0.0371","","","0.0964","0.0965","","","","","","1.035","","","","has coordinates","186974","2020-10-21","18:00:00",""
"7226728","16.6796","0.0002","16.6796","0.0002","11.9659","0.0002","90","","90","","90","","3329.02","0.08","173","2","173","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C60 H84 N4 O12 S8 -","- C60 H80 N4 O12 S8 -","- C120 H160 N8 O24 S16 -","2","0.25","","Ovsyannikov, A. S.; Lang, M. N.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: tetracarboxythiacalix[4]arene derivatives as tectons for the formation of hydrogen-bonded networks","CrystEngComm","2016","18","44","8622","","10.1039/C6CE02026G","","","0.71073","MoKα","","0.0743","0.0523","","","0.1536","0.1763","","","","","","1.052","","","","has coordinates,has disorder","190086","2020-10-21","18:00:00",""
"7226729","12.7393","0.0003","15.3611","0.0003","17.4026","0.0004","64.301","0.001","82.054","0.001","80.592","0.001","3018.67","0.12","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H72 O8 S8 -","- C56 H72 O8 S8 -","- C112 H144 O16 S16 -","2","1","","Ovsyannikov, A. S.; Lang, M. N.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: tetracarboxythiacalix[4]arene derivatives as tectons for the formation of hydrogen-bonded networks","CrystEngComm","2016","18","44","8622","","10.1039/C6CE02026G","","","0.71073","MoKα","","0.1074","0.0573","","","0.13","0.1552","","","","","","1.03","","","","has coordinates,has disorder","190086","2020-10-21","18:00:00",""
"7226730","15.1566","0.0009","13.6474","0.0007","28.4065","0.0019","90","","92.503","0.002","90","","5870.2","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57 H73 Cl3 O12 S4 -","- C57 H73 Cl3 O12 S4 -","- C228 H292 Cl12 O48 S16 -","4","1","","Ovsyannikov, A. S.; Lang, M. N.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: tetracarboxythiacalix[4]arene derivatives as tectons for the formation of hydrogen-bonded networks","CrystEngComm","2016","18","44","8622","","10.1039/C6CE02026G","","","0.71073","MoKα","","0.1787","0.0943","","","0.2132","0.2653","","","","","","1.043","","","","has coordinates","190086","2020-10-21","18:00:00",""
"7226731","12.2472","0.0003","15.6106","0.0004","20.633","0.0006","92.39","0.002","96.895","0.001","96.801","0.001","3882.4","0.18","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C145 H150 Cl2 O18 S16 -","- C145 H144 Cl2 O18 S16 -","- C145 H144 Cl2 O18 S16 -","1","0.5","","Ovsyannikov, A. S.; Lang, M. N.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: tetracarboxythiacalix[4]arene derivatives as tectons for the formation of hydrogen-bonded networks","CrystEngComm","2016","18","44","8622","","10.1039/C6CE02026G","","","0.71073","MoKα","","0.0854","0.0616","","","0.1956","0.2153","","","","","","1.105","","","","has coordinates","190086","2020-10-21","18:00:00",""
"7226732","41.2998","0.0017","16.5977","0.0007","29.4977","0.0011","90","","125.525","0.001","90","","16456.4","1.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C138 H196 N16 O21 S16 -","- C138 H196 N16 O21 S16 -","- C552 H784 N64 O84 S64 -","4","0.5","","Ovsyannikov, A. S.; Lang, M. N.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: tetracarboxythiacalix[4]arene derivatives as tectons for the formation of hydrogen-bonded networks","CrystEngComm","2016","18","44","8622","","10.1039/C6CE02026G","","","0.71073","MoKα","","0.2029","0.1084","","","0.2986","0.3609","","","","","","1.045","","","","has coordinates","190086","2020-10-21","18:00:00",""
"7226733","40.449","0.01","10.2346","0.0017","33.844","0.008","90","","90","","90","","14011","5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C76 H76 N8 O12 S4 -","- C76 H76 N8 O12 S4 -","- C608 H608 N64 O96 S32 -","8","2","","Ovsyannikov, A. S.; Lang, M. N.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: tetracarboxythiacalix[4]arene derivatives as tectons for the formation of hydrogen-bonded networks","CrystEngComm","2016","18","44","8622","","10.1039/C6CE02026G","","","0.71073","MoKα","","0.2248","0.0887","","","0.1599","0.1925","","","","","","1.026","","","","has coordinates","190086","2020-10-21","18:00:00",""
"7226734","11.0804","0.0005","22.8508","0.001","19.1244","0.0006","90","","105.727","0.001","90","","4660.9","0.3","173","2","173","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C92 H112 N8 O10 S8 -","- C92 H104 N8 O10 S8 -","- C184 H208 N16 O20 S16 -","2","0.5","","Ovsyannikov, A. S.; Lang, M. N.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: tetracarboxythiacalix[4]arene derivatives as tectons for the formation of hydrogen-bonded networks","CrystEngComm","2016","18","44","8622","","10.1039/C6CE02026G","","","0.71073","MoKα","","0.2288","0.1264","","","0.2812","0.3383","","","","","","1.019","","","","has coordinates,has disorder","190086","2020-10-21","18:00:00",""
"7226735","33.2961","0.001","11.7323","0.0003","20.7114","0.0005","90","","114.114","0.001","90","","7384.7","0.3","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C133 H186 N8 O18 S16 -","- C133 H184 N8 O18 S16 -","- C266 H368 N16 O36 S32 -","2","0.5","","Ovsyannikov, A. S.; Lang, M. N.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: tetracarboxythiacalix[4]arene derivatives as tectons for the formation of hydrogen-bonded networks","CrystEngComm","2016","18","44","8622","","10.1039/C6CE02026G","","","0.71073","MoKα","","0.0951","0.066","","","0.1821","0.2051","","","","","","1.021","","","","has coordinates","190086","2020-10-21","18:00:00",""
"7226738","5.6838","0.0009","11.4266","0.0019","13.585","0.002","90","","95.904","0.004","90","","877.6","0.2","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H20 Cu3 O16 S2 -","- C6 H20 Cu3 O16 S2 -","- C12 H40 Cu6 O32 S4 -","2","0.5","","Fujita, Wataru; Tokumitu, Akio; Fujii, Yutaka; Kikuchi, Hikomitsu","Crystal growth, structures and magnetic properties of copper hydroxide compounds with distorted diamond chain magnetic networks","CrystEngComm","2016","18","44","8614","","10.1039/C6CE01631F","","","0.71075","MoKα","","0.0667","0.0574","","","0.1457","0.1598","","","","","","1.188","","","","has coordinates","190085","2020-10-21","18:00:00",""
"7226739","5.608","0.0004","8.6585","0.0007","17.5909","0.0019","88.075","0.005","89.276","0.005","77.558","0.005","833.62","0.13","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H50 Cu3 O16 S2 -","- C20 H50 Cu3 O16 S2 -","- C20 H50 Cu3 O16 S2 -","1","0.5","","Fujita, Wataru; Tokumitu, Akio; Fujii, Yutaka; Kikuchi, Hikomitsu","Crystal growth, structures and magnetic properties of copper hydroxide compounds with distorted diamond chain magnetic networks","CrystEngComm","2016","18","44","8614","","10.1039/C6CE01631F","","","0.71075","MoKα","","0.0351","0.0315","","","0.0784","0.0811","","","","","","1.044","","","","has coordinates","190085","2020-10-21","18:00:00",""
"7226740","5.7415","0.0004","8.794","0.0006","27.737","0.002","83.89","0.004","89.704","0.005","80.177","0.004","1371.97","0.17","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H30 Cu3 O16 S2 -","- C18 H30 Cu3 O16 S2 -","- C36 H60 Cu6 O32 S4 -","2","1","","Fujita, Wataru; Tokumitu, Akio; Fujii, Yutaka; Kikuchi, Hikomitsu","Crystal growth, structures and magnetic properties of copper hydroxide compounds with distorted diamond chain magnetic networks","CrystEngComm","2016","18","44","8614","","10.1039/C6CE01631F","","","0.71075","MoKα","","0.0498","0.0367","","","0.089","0.0936","","","","","","0.912","","","","has coordinates","190085","2020-10-21","18:00:00",""
"7226741","5.766","0.002","8.639","0.004","15.848","0.007","101.4","0.007","99.046","0.009","100.39","0.011","745.8","0.5","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H34 Cu3 O16 S2 -","- C20 H34 Cu3 O16 S2 -","- C20 H34 Cu3 O16 S2 -","1","0.5","","Fujita, Wataru; Tokumitu, Akio; Fujii, Yutaka; Kikuchi, Hikomitsu","Crystal growth, structures and magnetic properties of copper hydroxide compounds with distorted diamond chain magnetic networks","CrystEngComm","2016","18","44","8614","","10.1039/C6CE01631F","","","0.71075","MoKα","","0.0466","0.0402","","","0.1254","0.1434","","","","","","1.145","","","","has coordinates","190085","2020-10-21","18:00:00",""
"7226742","17.2932","0.0013","5.7712","0.0002","31.2089","0.0019","90","","93.088","0.004","90","","3110.2","0.3","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H32 Cu3 O17 S2 -","- C24 H30 Cu3 O17 S2 -","- C96 H120 Cu12 O68 S8 -","4","1","","Fujita, Wataru; Tokumitu, Akio; Fujii, Yutaka; Kikuchi, Hikomitsu","Crystal growth, structures and magnetic properties of copper hydroxide compounds with distorted diamond chain magnetic networks","CrystEngComm","2016","18","44","8614","","10.1039/C6CE01631F","","","0.71075","MoKα","","0.0756","0.0489","","","0.1018","0.1166","","","","","","1.052","","","","has coordinates","190085","2020-10-21","18:00:00",""
"7226743","5.6096","0.0002","8.9824","0.0006","12.1172","0.0009","86.288","0.006","77.183","0.006","77.676","0.006","581.53","0.06","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H22 Cu3 O16 S2 -","- C14 H22 Cu3 O16 S2 -","- C14 H22 Cu3 O16 S2 -","1","0.5","","Fujita, Wataru; Tokumitu, Akio; Fujii, Yutaka; Kikuchi, Hikomitsu","Crystal growth, structures and magnetic properties of copper hydroxide compounds with distorted diamond chain magnetic networks","CrystEngComm","2016","18","44","8614","","10.1039/C6CE01631F","","","0.71075","MoKα","","0.0333","0.0298","","","0.0752","0.0774","","","","","","1.101","","","","has coordinates","190085","2020-10-21","18:00:00",""
"7226744","9.2709","0.0007","10.6339","0.0017","11.848","0.002","82.673","0.016","70.523","0.014","69.251","0.012","1029.7","0.3","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 Cu3 O14 S2 -","- C14 H18 Cu3 O14 S2 -","- C28 H36 Cu6 O28 S4 -","2","1","","Fujita, Wataru; Tokumitu, Akio; Fujii, Yutaka; Kikuchi, Hikomitsu","Crystal growth, structures and magnetic properties of copper hydroxide compounds with distorted diamond chain magnetic networks","CrystEngComm","2016","18","44","8614","","10.1039/C6CE01631F","","","0.71075","MoKα","","0.0388","0.031","","","0.0782","0.0864","","","","","","0.983","","","","has coordinates","190085","2020-10-21","18:00:00",""
"7226745","14.2783","0.0002","9.93551","0.00015","14.7043","0.0003","90","","99.5877","0.0017","90","","2056.85","0.06","292.36","0.1","292.36","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","AP/B18C6 cocrystal","","- C16 H28 Cl N O10 -","- C16 H28 Cl N O10 -","- C64 H112 Cl4 N4 O40 -","4","1","","Cheng, Minmin; Liu, Xun; Luo, Qingping; Duan, Xiaohui; Pei, Chonghua","Cocrystals of ammonium perchlorate with a series of crown ethers: preparation, structures, and properties","CrystEngComm","2016","18","43","8487","","10.1039/C6CE01455K","","x-ray","1.54184","CuKα","","0.0774","0.0706","","","0.2059","0.2167","","","","","","1.055","","","","has coordinates","188085","2020-10-21","18:00:00",""
"7226746","12.6348","0.0002","12.918","0.0002","20.7752","0.0003","90","","107.36","0.0017","90","","3236.39","0.09","294.39","0.1","294.39","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","AP/DB18C6 cocrystal","","- C30 H40 Cl N O13 -","- C30 H40 Cl N O13 -","- C120 H160 Cl4 N4 O52 -","4","1","","Cheng, Minmin; Liu, Xun; Luo, Qingping; Duan, Xiaohui; Pei, Chonghua","Cocrystals of ammonium perchlorate with a series of crown ethers: preparation, structures, and properties","CrystEngComm","2016","18","43","8487","","10.1039/C6CE01455K","","x-ray","1.54184","CuKα","","0.0894","0.0823","","","0.248","0.26","","","","","","1.049","","","","has coordinates","188085","2020-10-21","18:00:00",""
"7226747","21.9447","0.0009","8.6823","0.0003","22.5551","0.0011","90","","118.257","0.006","90","","3785.3","0.3","176.41","0.1","176.41","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","AP/18C6","cocrystal","","- C12 H28 Cl N O10 -","- C12 H28 Cl N O10 -","- C96 H224 Cl8 N8 O80 -","8","2","","Cheng, Minmin; Liu, Xun; Luo, Qingping; Duan, Xiaohui; Pei, Chonghua","Cocrystals of ammonium perchlorate with a series of crown ethers: preparation, structures, and properties","CrystEngComm","2016","18","43","8487","","10.1039/C6CE01455K","","x-ray","1.54184","CuKα","","0.0672","0.0585","","","0.1616","0.1727","","","","","","1.041","","","","has coordinates","194155","2020-10-21","18:00:00",""
"7226748","18.0441","0.0008","18.0441","0.0008","8.3135","0.0007","90","","90","","90","","2706.8","0.3","100","2","100","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C24 H20 Dy N8 Na O8 -","- C24 H20 Dy N8 Na O8 -","- C96 H80 Dy4 N32 Na4 O32 -","4","","","Fernández, Belén; Oyarzabal, Itziar; Fischer-Fodor, Eva; Macavei, Sergiu; Sánchez, Ignacio; Seco, José M.; Gómez-Ruiz, Santiago; Rodríguez-Diéguez, Antonio","Multifunctional applications of a dysprosium-based metal‒organic chain with single-ion magnet behaviour","CrystEngComm","2016","18","45","8718","","10.1039/C6CE01810F","","","0.71069","MoKα","","0.0719","0.0459","","","0.1205","0.1508","","","","","","1.231","","","","has coordinates","190083","2020-10-21","18:00:00",""
"7226761","10.2321","0.0004","11.9576","0.0005","12.27","0.0005","91.001","0.001","99.561","0.001","100.188","0.001","1455.36","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(Z)-3-(3,4-dimethoxyphenyl)-2-(4-nitrophenyl)acrylonitrile","","- C17 H14 N2 O4 -","- C17 H14 N2 O4 -","- C68 H56 N8 O16 -","4","2","","Jha, Kunal Kumar; Dutta, Sanjay; Kumar, Vijay; Munshi, Parthapratim","Isostructural polymorphs: qualitative insights from energy frameworks","CrystEngComm","2016","18","43","8497","","10.1039/C6CE01501H","","","0.71073","MoKα","","0.0557","0.0405","","","0.0942","0.1017","","","","","","1.038","","","","has coordinates","188083","2020-10-21","18:00:00",""
"7226762","8.6636","0.0004","11.9452","0.0006","14.3305","0.0007","100.527","0.002","90.917","0.002","95.64","0.002","1450.15","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(Z)-3-(3,4-dimethoxyphenyl)-2-(4-nitrophenyl)acrylonitrile","","- C17 H14 N2 O4 -","- C17 H14 N2 O4 -","- C68 H56 N8 O16 -","4","2","","Jha, Kunal Kumar; Dutta, Sanjay; Kumar, Vijay; Munshi, Parthapratim","Isostructural polymorphs: qualitative insights from energy frameworks","CrystEngComm","2016","18","43","8497","","10.1039/C6CE01501H","","","0.71073","MoKα","","0.0883","0.0628","","","0.139","0.1495","","","","","","1.106","","","","has coordinates","188083","2020-10-21","18:00:00",""
"7226763","7.6956","0.0002","12.3234","0.0004","15.6647","0.0005","82.079","0.001","86.38","0.001","84.459","0.001","1462.66","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(Z)-3-(3,4-dimethoxyphenyl)-2-(4-nitrophenyl)acrylonitrile","","- C17 H14 N2 O4 -","- C17 H14 N2 O4 -","- C68 H56 N8 O16 -","4","2","","Jha, Kunal Kumar; Dutta, Sanjay; Kumar, Vijay; Munshi, Parthapratim","Isostructural polymorphs: qualitative insights from energy frameworks","CrystEngComm","2016","18","43","8497","","10.1039/C6CE01501H","","","0.71073","MoKα","","0.0609","0.0457","","","0.1047","0.1122","","","","","","1.053","","","","has coordinates","188083","2020-10-21","18:00:00",""
"7226764","11.7568","0.0009","15.0687","0.001","11.1422","0.0007","90","","90","","90","","1973.9","0.2","100","2","100","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C11 H9 Fe0.5 N O2.5 Zn0.5 -","- C11 H9 Fe0.5 N O2.5 Zn0.5 -","- C88 H72 Fe4 N8 O20 Zn4 -","8","1","","Ospina-Castro, María L.; Reiber, Andreas; Jorge, Gilberto; Ávila, Edward E.; Briceño, Alexander","Novel 3-D interpenetrated metal‒organometallic networks based on self-assembled Zn(ii)/Cu(ii) from 1,1′-ferrocenedicarboxylic acid and 4,4′-bipyridine","CrystEngComm","2017","19","5","758","","10.1039/C6CE02109C","","","1.54184","CuKα","","0.031","0.0277","","","0.0785","0.081","","","","","","1.061","","","","has coordinates","191568","2020-10-21","18:00:00",""
"7226765","12.016","0.002","14.441","0.002","11.1347","0.0015","90","","90","","90","","1932.1","0.5","173","2","173","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C11 H9 Cu0.5 Fe0.5 N O2.5 -","- C11 H9 Cu0.5 Fe0.5 N O2.5 -","- C88 H72 Cu4 Fe4 N8 O20 -","8","1","","Ospina-Castro, María L.; Reiber, Andreas; Jorge, Gilberto; Ávila, Edward E.; Briceño, Alexander","Novel 3-D interpenetrated metal‒organometallic networks based on self-assembled Zn(ii)/Cu(ii) from 1,1′-ferrocenedicarboxylic acid and 4,4′-bipyridine","CrystEngComm","2017","19","5","758","","10.1039/C6CE02109C","","","0.71073","MoKα","","0.0666","0.0467","","","0.1227","0.1416","","","","","","1.073","","","","has coordinates","191568","2020-10-21","18:00:00",""
"7226766","10.7602","0.0007","10.3933","0.0006","21.0922","0.0011","90","","113.25","0.003","90","","2167.3","0.2","298","2","298","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C18 H12.5 Eu N2.5 O13.5 Zn -","- C18 H11.5 Eu N2.5 O13.5 Zn -","- C72 H46 Eu4 N10 O54 Zn4 -","4","1","","Zheng, Sheng-Run; Tan, Jing-Bo; Cai, Song-Liang; Fan, Jun; Zhang, Wei-Guang","Construction of six new luminescent Ln(iii)‒Zn(ii) heterometallic coordination polymers based on heterometallic secondary building units","CrystEngComm","2016","18","44","8672","","10.1039/C6CE01184E","","","0.71073","MoKα","","0.0236","0.0207","","","0.0499","0.0515","","","","","","1.006","","","","has coordinates,has disorder","190087","2020-10-21","18:00:00",""
"7226767","12.4323","0.0017","12.9418","0.0018","15.241","0.002","90","","95.588","0.002","90","","2440.6","0.6","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H12 Eu N3 O15 Zn -","- C22 H12 Eu N3 O15 Zn -","- C88 H48 Eu4 N12 O60 Zn4 -","4","1","","Zheng, Sheng-Run; Tan, Jing-Bo; Cai, Song-Liang; Fan, Jun; Zhang, Wei-Guang","Construction of six new luminescent Ln(iii)‒Zn(ii) heterometallic coordination polymers based on heterometallic secondary building units","CrystEngComm","2016","18","44","8672","","10.1039/C6CE01184E","","","0.71073","MoKα","","0.0305","0.0272","","","0.0663","0.068","","","","","","1.071","","","","has coordinates","190087","2020-10-21","18:00:00",""
"7226768","12.4296","0.0012","12.9364","0.0012","15.1888","0.0014","90","","95.66","0.001","90","","2430.4","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H12 N3 O15 Tb Zn -","- C22 H12 N3 O15 Tb Zn -","- C88 H48 N12 O60 Tb4 Zn4 -","4","1","","Zheng, Sheng-Run; Tan, Jing-Bo; Cai, Song-Liang; Fan, Jun; Zhang, Wei-Guang","Construction of six new luminescent Ln(iii)‒Zn(ii) heterometallic coordination polymers based on heterometallic secondary building units","CrystEngComm","2016","18","44","8672","","10.1039/C6CE01184E","","","0.71073","MoKα","","0.026","0.0228","","","0.0555","0.0571","","","","","","1.084","","","","has coordinates","190087","2020-10-21","18:00:00",""
"7226769","16.8984","0.0011","24.3162","0.0016","22.832","0.0015","90","","99.333","0.001","90","","9257.6","1.1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H15.5 Eu N4.5 O19 Zn2 -","- C32 H15.5 Eu N4.5 O19 Zn2 -","- C256 H124 Eu8 N36 O152 Zn16 -","8","1","","Zheng, Sheng-Run; Tan, Jing-Bo; Cai, Song-Liang; Fan, Jun; Zhang, Wei-Guang","Construction of six new luminescent Ln(iii)‒Zn(ii) heterometallic coordination polymers based on heterometallic secondary building units","CrystEngComm","2016","18","44","8672","","10.1039/C6CE01184E","","","0.71073","MoKα","","0.0536","0.0413","","","0.1279","0.1376","","","","","","1.027","","","","has coordinates,has disorder","190087","2020-10-21","18:00:00",""
"7226770","10.4803","0.0011","17.8855","0.0019","17.8364","0.0018","90","","105.744","0.001","90","","3217.9","0.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H12 Eu N3 O15 Zn -","- C22 H12 Eu N3 O15 Zn -","- C88 H48 Eu4 N12 O60 Zn4 -","4","1","","Zheng, Sheng-Run; Tan, Jing-Bo; Cai, Song-Liang; Fan, Jun; Zhang, Wei-Guang","Construction of six new luminescent Ln(iii)‒Zn(ii) heterometallic coordination polymers based on heterometallic secondary building units","CrystEngComm","2016","18","44","8672","","10.1039/C6CE01184E","","","0.71073","MoKα","","0.0509","0.0366","","","0.1112","0.1195","","","","","","1.061","","","","has coordinates,has disorder","190087","2020-10-21","18:00:00",""
"7226771","11.589","0.003","17.792","0.005","16.441","0.005","90","","109.73","0.004","90","","3191","1.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H12 N3 O15 Tb Zn -","- C22 H10 N3 O16 Tb Zn -","- C88 H40 N12 O64 Tb4 Zn4 -","4","1","","Zheng, Sheng-Run; Tan, Jing-Bo; Cai, Song-Liang; Fan, Jun; Zhang, Wei-Guang","Construction of six new luminescent Ln(iii)‒Zn(ii) heterometallic coordination polymers based on heterometallic secondary building units","CrystEngComm","2016","18","44","8672","","10.1039/C6CE01184E","","","0.71073","MoKα","","0.1304","0.081","","","0.2199","0.27","","","","","","1.065","","","","has coordinates,has disorder","190087","2020-10-21","18:00:00",""
"7226788","7.8028","0.0006","17.6121","0.0012","18.6177","0.0012","90","","90","","90","","2558.5","0.3","273","2","273.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H37 N3 O4 S -","- C28 H37 N3 O4 S -","- C112 H148 N12 O16 S4 -","4","1","","Kong, Minmin; Fu, Xue; Li, Jiaoyang; Li, Jianhui; Chen, Minhua; Deng, Zongwu; Zhang, Hailu","Sweet pharmaceutical salts of stanozolol with enhanced solubility and physical stability","CrystEngComm","2016","18","45","8739","","10.1039/C6CE01876A","","","0.71073","MoKα","","0.0399","0.0352","","","0.0837","0.086","","","","","","1.035","","","","has coordinates","190081","2020-10-21","18:00:00",""
"7226789","7.3761","0.0005","17.7987","0.0015","9.5359","0.0009","90","","98.633","0.006","90","","1237.74","0.18","223","0.1","223","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H37 N3 O5 S -","- C25 H37 N3 O5 S -","- C50 H74 N6 O10 S2 -","2","1","","Kong, Minmin; Fu, Xue; Li, Jiaoyang; Li, Jianhui; Chen, Minhua; Deng, Zongwu; Zhang, Hailu","Sweet pharmaceutical salts of stanozolol with enhanced solubility and physical stability","CrystEngComm","2016","18","45","8739","","10.1039/C6CE01876A","","","0.71073","MoKα","","0.0644","0.0462","","","0.114","0.1345","","","","","","0.825","","","","has coordinates","190081","2020-10-21","18:00:00",""
"7226831","7.161","0.0002","7.161","0.0002","8.0474","0.0004","90","","90","","120","","357.38","0.02","293","2","293","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","ammonium nickel formate","","- C3 H7 N Ni O6 -","- C3 H7.0002 N Ni O6 -","- C6 H14.0004 N2 Ni2 O12 -","2","0.166667","","Collings, Ines E.; Bykov, Maxim; Bykova, Elena; Tucker, Matthew G.; Petitgirard, Sylvain; Hanfland, Michael; Glazyrin, Konstantin; van Smaalen, Sander; Goodwin, Andrew L.; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Structural distortions in the high-pressure polar phases of ammonium metal formates","CrystEngComm","2016","18","46","8849","","10.1039/C6CE01891B","","","0.41168","synchrotron","","0.0604","0.0499","","","0.1216","0.1369","","","","","","1.239","","","","has coordinates","190064","2020-10-21","18:00:00",""
"7226832","7.1208","0.0006","7.1208","0.0006","8.0513","0.0004","90","","90","","120","","353.55","0.05","293","2","293","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","ammonium nickel formate","","- C3 H7 N Ni O6 -","- C3 H7.0002 N Ni O6 -","- C6 H14.0004 N2 Ni2 O12 -","2","0.166667","","Collings, Ines E.; Bykov, Maxim; Bykova, Elena; Tucker, Matthew G.; Petitgirard, Sylvain; Hanfland, Michael; Glazyrin, Konstantin; van Smaalen, Sander; Goodwin, Andrew L.; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Structural distortions in the high-pressure polar phases of ammonium metal formates","CrystEngComm","2016","18","46","8849","","10.1039/C6CE01891B","","","0.41168","synchrotron","","0.0682","0.0496","","","0.1086","0.1276","","","","","","1.1","","","","has coordinates","190064","2020-10-21","18:00:00",""
"7226833","6.306","0.013","8.0599","0.0014","7.25","0.013","90","","115.6","0.2","90","","332.3","1.1","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","ammonium nickel formate","","- C3 H7 N Ni O6 -","- C3 H3 N Ni O6 -","- C6 H6 N2 Ni2 O12 -","2","1","","Collings, Ines E.; Bykov, Maxim; Bykova, Elena; Tucker, Matthew G.; Petitgirard, Sylvain; Hanfland, Michael; Glazyrin, Konstantin; van Smaalen, Sander; Goodwin, Andrew L.; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Structural distortions in the high-pressure polar phases of ammonium metal formates","CrystEngComm","2016","18","46","8849","","10.1039/C6CE01891B","","x-ray","0.41168","synchrotron","","0.1801","0.1111","","","0.1271","0.1417","","","","2.97","2.97","2.19","","","","has coordinates","190064","2020-10-21","18:00:00",""
"7226834","7.2864","0.00016","7.2864","0.00016","8.05248","0.00018","90","","90","","120","","370.243","0.014","293","2","293","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","ammonium nickel formate","","- C3 H7 N Ni O6 -","- C3 H7.0002 N Ni O6 -","- C6 H14.0004 N2 Ni2 O12 -","2","0.166667","","Collings, Ines E.; Bykov, Maxim; Bykova, Elena; Tucker, Matthew G.; Petitgirard, Sylvain; Hanfland, Michael; Glazyrin, Konstantin; van Smaalen, Sander; Goodwin, Andrew L.; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Structural distortions in the high-pressure polar phases of ammonium metal formates","CrystEngComm","2016","18","46","8849","","10.1039/C6CE01891B","","","0.71073","MoKα","","0.0257","0.021","","","0.0448","0.0455","","","","","","1.169","","","","has coordinates","190064","2020-10-21","18:00:00",""
"7226835","7.26097","0.00016","7.26097","0.00016","8.0811","0.0002","90","","90","","120","","368.969","0.015","100","2","100","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","ammonium nickel formate","","- C3 H7 N Ni O6 -","- C3 H7 N Ni O6 -","- C6 H14 N2 Ni2 O12 -","2","0.166667","","Collings, Ines E.; Bykov, Maxim; Bykova, Elena; Tucker, Matthew G.; Petitgirard, Sylvain; Hanfland, Michael; Glazyrin, Konstantin; van Smaalen, Sander; Goodwin, Andrew L.; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Structural distortions in the high-pressure polar phases of ammonium metal formates","CrystEngComm","2016","18","46","8849","","10.1039/C6CE01891B","","","0.71073","MoKα","","0.0188","0.0179","","","0.0473","0.0477","","","","","","1.176","","","","has coordinates","190064","2020-10-21","18:00:00",""
"7226836","6.668","0.006","8.298","0.004","7.393","0.006","90","","116.64","0.11","90","","365.6","0.6","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","ammonium iron formate","","- C3 H7 Fe N O6 -","- C3 H3 Fe N O6 -","- C6 H6 Fe2 N2 O12 -","2","1","","Collings, Ines E.; Bykov, Maxim; Bykova, Elena; Tucker, Matthew G.; Petitgirard, Sylvain; Hanfland, Michael; Glazyrin, Konstantin; van Smaalen, Sander; Goodwin, Andrew L.; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Structural distortions in the high-pressure polar phases of ammonium metal formates","CrystEngComm","2016","18","46","8849","","10.1039/C6CE01891B","","x-ray","0.2903","synchrotron","","0.1914","0.1431","","","0.1562","0.1657","","","","3.31","3.31","2.44","","","","has coordinates","190064","2020-10-21","18:00:00",""
"7226837","3.8271","0.0003","19.192","0.002","10.816","0.002","90","","91.771","0.011","90","","794.05","0.18","299","2","299","2","500000","","500000","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 F2 O2 -","- C9 H6 F2 O2 -","- C36 H24 F8 O8 -","4","1","","Galica, T.; Bąkowicz, J.; Konieczny, K.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 5. The influence of pressure on the course of the photochemical reaction in crystals of 2,6-difluorocinnamic acid","CrystEngComm","2016","18","46","8871","","10.1039/C6CE01652A","","","0.71073","MoKα","","0.1198","0.0502","","","0.099","0.1181","","","","","","1.006","","","","has coordinates","190066","2020-10-21","18:00:00",""
"7226838","3.84","0.002","19.183","0.016","10.87","0.018","90","","91.94","0.08","90","","800.3","1.5","299","2","299","2","500000","","500000","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 F2 O2 -","- C9 H6 F2 O2 -","- C36 H24 F8 O8 -","4","1","","Galica, T.; Bąkowicz, J.; Konieczny, K.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 5. The influence of pressure on the course of the photochemical reaction in crystals of 2,6-difluorocinnamic acid","CrystEngComm","2016","18","46","8871","","10.1039/C6CE01652A","","","0.71073","MoKα","","0.2555","0.1334","","","0.3255","0.3985","","","","","","1.144","","","","has coordinates,has disorder","190066","2020-10-21","18:00:00",""
"7226839","3.7896","0.0004","19.207","0.002","10.703","0.003","90","","91.51","0.011","90","","778.8","0.2","299","2","299","2","1100000","","1100000","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 F2 O2 -","- C9 H6 F2 O2 -","- C36 H24 F8 O8 -","4","1","","Galica, T.; Bąkowicz, J.; Konieczny, K.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 5. The influence of pressure on the course of the photochemical reaction in crystals of 2,6-difluorocinnamic acid","CrystEngComm","2016","18","46","8871","","10.1039/C6CE01652A","","","0.71073","MoKα","","0.1633","0.0908","","","0.2382","0.2958","","","","","","1.043","","","","has coordinates","190066","2020-10-21","18:00:00",""
"7226840","3.7768","0.0005","19.151","0.003","10.824","0.004","90","","91.839","0.017","90","","782.5","0.3","299","2","299","2","1100000","","1100000","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 F2 O2 -","- C9.009 H6.006 F2.002 O2.002 -","- C36.036 H24.024 F8.008 O8.008 -","4","1","","Galica, T.; Bąkowicz, J.; Konieczny, K.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 5. The influence of pressure on the course of the photochemical reaction in crystals of 2,6-difluorocinnamic acid","CrystEngComm","2016","18","46","8871","","10.1039/C6CE01652A","","","0.71073","MoKα","","0.2136","0.1106","","","0.3012","0.3677","","","","","","1.115","","","","has coordinates,has disorder","190066","2020-10-21","18:00:00",""
"7226841","3.7692","0.0006","19.123","0.003","10.849","0.004","90","","91.978","0.018","90","","781.5","0.3","299","2","299","2","1100000","","1100000","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 F2 O2 -","- C8.991 H5.994 F1.998 O1.998 -","- C35.964 H23.976 F7.992 O7.992 -","4","1","","Galica, T.; Bąkowicz, J.; Konieczny, K.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 5. The influence of pressure on the course of the photochemical reaction in crystals of 2,6-difluorocinnamic acid","CrystEngComm","2016","18","46","8871","","10.1039/C6CE01652A","","","0.71073","MoKα","","0.2793","0.1424","","","0.3454","0.4247","","","","","","1.226","","","","has coordinates,has disorder","190066","2020-10-21","18:00:00",""
"7226842","3.7692","0.0008","19.124","0.004","10.887","0.006","90","","91.98","0.03","90","","784.3","0.5","299","2","299","2","1100000","","1100000","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 F2 O2 -","- C9 H6 F2 O2 -","- C36 H24 F8 O8 -","4","1","","Galica, T.; Bąkowicz, J.; Konieczny, K.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 5. The influence of pressure on the course of the photochemical reaction in crystals of 2,6-difluorocinnamic acid","CrystEngComm","2016","18","46","8871","","10.1039/C6CE01652A","","","0.71073","MoKα","","0.2691","0.1352","","","0.3264","0.4037","","","","","","1.157","","","","has coordinates,has disorder","190066","2020-10-21","18:00:00",""
"7226843","3.6777","0.0015","19.13","0.01","10.443","0.011","90","","90.52","0.05","90","","734.7","0.9","299","2","299","2","2100000","","2100000","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 F2 O2 -","- C9 H6 F2 O2 -","- C36 H24 F8 O8 -","4","1","","Galica, T.; Bąkowicz, J.; Konieczny, K.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 5. The influence of pressure on the course of the photochemical reaction in crystals of 2,6-difluorocinnamic acid","CrystEngComm","2016","18","46","8871","","10.1039/C6CE01652A","","","0.71073","MoKα","","0.0835","0.0474","","","0.0995","0.1141","","","","","","1.023","","","","has coordinates","190066","2020-10-21","18:00:00",""
"7226844","3.6652","0.0005","19.07","0.003","10.517","0.003","90","","90.798","0.016","90","","735","0.3","299","2","299","2","2100000","","2100000","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 F2 O2 -","- C9 H6 F2 O2 -","- C36 H24 F8 O8 -","4","1","","Galica, T.; Bąkowicz, J.; Konieczny, K.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 5. The influence of pressure on the course of the photochemical reaction in crystals of 2,6-difluorocinnamic acid","CrystEngComm","2016","18","46","8871","","10.1039/C6CE01652A","","","0.71073","MoKα","","0.1287","0.0686","","","0.1758","0.2297","","","","","","1.062","","","","has coordinates,has disorder","190066","2020-10-21","18:00:00",""
"7226845","3.6528","0.0011","19.053","0.006","10.581","0.006","90","","90.9","0.03","90","","736.3","0.5","299","2","299","2","2100000","","2100000","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 F2 O2 -","- C9 H6 F2 O2 -","- C36 H24 F8 O8 -","4","1","","Galica, T.; Bąkowicz, J.; Konieczny, K.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 5. The influence of pressure on the course of the photochemical reaction in crystals of 2,6-difluorocinnamic acid","CrystEngComm","2016","18","46","8871","","10.1039/C6CE01652A","","","0.71073","MoKα","","0.1622","0.0785","","","0.2033","0.2632","","","","","","1.049","","","","has coordinates,has disorder","190066","2020-10-21","18:00:00",""
"7226846","3.642","0.0007","19.023","0.004","10.626","0.005","90","","91.14","0.02","90","","736","0.4","299","2","299","2","2100000","","2100000","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 F2 O2 -","- C9 H6 F2 O2 -","- C36 H24 F8 O8 -","4","1","","Galica, T.; Bąkowicz, J.; Konieczny, K.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 5. The influence of pressure on the course of the photochemical reaction in crystals of 2,6-difluorocinnamic acid","CrystEngComm","2016","18","46","8871","","10.1039/C6CE01652A","","","0.71073","MoKα","","0.1778","0.097","","","0.2552","0.3109","","","","","","1.056","","","","has coordinates,has disorder","190066","2020-10-21","18:00:00",""
"7226847","3.639","0.0007","19.002","0.004","10.645","0.005","90","","91.14","0.02","90","","735.9","0.4","299","2","299","2","2100000","","2100000","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 F2 O2 -","- C9.009 H6.006 F2.002 O2.002 -","- C36.036 H24.024 F8.008 O8.008 -","4","1","","Galica, T.; Bąkowicz, J.; Konieczny, K.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 5. The influence of pressure on the course of the photochemical reaction in crystals of 2,6-difluorocinnamic acid","CrystEngComm","2016","18","46","8871","","10.1039/C6CE01652A","","","0.71073","MoKα","","0.2146","0.1094","","","0.2902","0.3538","","","","","","1.072","","","","has coordinates,has disorder","190066","2020-10-21","18:00:00",""
"7226848","3.6358","0.0017","18.973","0.011","10.701","0.013","90","","91.72","0.06","90","","737.8","1.1","299","2","299","2","2100000","","2100000","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 F2 O2 -","- C9.009 H6.006 F2.002 O2.002 -","- C36.036 H24.024 F8.008 O8.008 -","4","1","","Galica, T.; Bąkowicz, J.; Konieczny, K.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 5. The influence of pressure on the course of the photochemical reaction in crystals of 2,6-difluorocinnamic acid","CrystEngComm","2016","18","46","8871","","10.1039/C6CE01652A","","","0.71073","MoKα","","0.2524","0.1204","","","0.306","0.3922","","","","","","1.085","","","","has coordinates,has disorder","190066","2020-10-21","18:00:00",""
"7226849","3.6223","0.0014","18.978","0.009","10.755","0.014","90","","91.34","0.06","90","","739.1","1.1","299","2","299","2","2100000","","2100000","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 F2 O2 -","- C9 H6 F2 O2 -","- C36 H24 F8 O8 -","4","1","","Galica, T.; Bąkowicz, J.; Konieczny, K.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 5. The influence of pressure on the course of the photochemical reaction in crystals of 2,6-difluorocinnamic acid","CrystEngComm","2016","18","46","8871","","10.1039/C6CE01652A","","","0.71073","MoKα","","0.2846","0.1191","","","0.2824","0.392","","","","","","1.029","","","","has coordinates,has disorder","190066","2020-10-21","18:00:00",""
"7226861","7.6855","0.0015","7.8344","0.0016","8.1579","0.0016","91.15","0.03","104.78","0.03","116.81","0.03","418.7","0.2","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C13 H14 Hg I2 N4 O2 -","- C13 H12 Hg I2 N4 O2 -","- C13 H12 Hg I2 N4 O2 -","1","1","","Mahmoudi, Ghodrat; Bauzá, Antonio; Gurbanov, Atash V.; Zubkov, Fedor I.; Maniukiewicz, Waldemar; Rodríguez-Diéguez, Antonio; López-Torres, Elena; Frontera, Antonio","The role of unconventional stacking interactions in the supramolecular assemblies of Hg(ii) coordination compounds","CrystEngComm","2016","18","47","9056","","10.1039/C6CE02073A","","","0.71073","MoKα","","0.0368","0.0323","","","0.0788","0.0814","","","","","","1.041","","","","has coordinates","190095","2020-10-21","18:00:00",""
"7226862","9.2294","0.0003","11.4544","0.0003","18.2305","0.0006","80.471","0.003","77.234","0.003","87.169","0.003","1853.54","0.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 Cl2 Hg N4 O -","- C18 H14 Cl2 Hg N4 O -","- C72 H56 Cl8 Hg4 N16 O4 -","4","2","","Mahmoudi, Ghodrat; Bauzá, Antonio; Gurbanov, Atash V.; Zubkov, Fedor I.; Maniukiewicz, Waldemar; Rodríguez-Diéguez, Antonio; López-Torres, Elena; Frontera, Antonio","The role of unconventional stacking interactions in the supramolecular assemblies of Hg(ii) coordination compounds","CrystEngComm","2016","18","47","9056","","10.1039/C6CE02073A","","","1.54184","CuKα","","0.0371","0.0349","","","0.0904","0.0927","","","","","","0.94","","","","has coordinates","190095","2020-10-21","18:00:00",""
"7226863","9.3269","0.0006","11.5055","0.0009","18.7159","0.0012","79.29","0.006","77.048","0.006","86.951","0.006","1923.1","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 Br2 Hg N4 O -","- C18 H14 Br2 Hg N4 O -","- C72 H56 Br8 Hg4 N16 O4 -","4","2","","Mahmoudi, Ghodrat; Bauzá, Antonio; Gurbanov, Atash V.; Zubkov, Fedor I.; Maniukiewicz, Waldemar; Rodríguez-Diéguez, Antonio; López-Torres, Elena; Frontera, Antonio","The role of unconventional stacking interactions in the supramolecular assemblies of Hg(ii) coordination compounds","CrystEngComm","2016","18","47","9056","","10.1039/C6CE02073A","","","1.54184","CuKα","","0.0739","0.0705","","","0.1801","0.1871","","","","","","1.053","","","","has coordinates","190095","2020-10-21","18:00:00",""
"7226864","19.9763","0.0002","11.8392","0.0001","17.7194","0.0002","90","","103.328","0.001","90","","4077.83","0.07","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Hg I2 N4 O -","- C18 H14 Hg I2 N4 O -","- C144 H112 Hg8 I16 N32 O8 -","8","2","","Mahmoudi, Ghodrat; Bauzá, Antonio; Gurbanov, Atash V.; Zubkov, Fedor I.; Maniukiewicz, Waldemar; Rodríguez-Diéguez, Antonio; López-Torres, Elena; Frontera, Antonio","The role of unconventional stacking interactions in the supramolecular assemblies of Hg(ii) coordination compounds","CrystEngComm","2016","18","47","9056","","10.1039/C6CE02073A","","","1.54184","CuKα","","0.0322","0.029","","","0.0708","0.0728","","","","","","1.062","","","","has coordinates","190095","2020-10-21","18:00:00",""
"7226865","7.3839","0.0007","12.574","0.0011","15.6783","0.0013","90","","91.892","0.005","90","","1454.9","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 Br2 Hg N4 O -","- C12 H10 Br2 Hg N4 O -","- C48 H40 Br8 Hg4 N16 O4 -","4","1","","Mahmoudi, Ghodrat; Bauzá, Antonio; Gurbanov, Atash V.; Zubkov, Fedor I.; Maniukiewicz, Waldemar; Rodríguez-Diéguez, Antonio; López-Torres, Elena; Frontera, Antonio","The role of unconventional stacking interactions in the supramolecular assemblies of Hg(ii) coordination compounds","CrystEngComm","2016","18","47","9056","","10.1039/C6CE02073A","","","0.71073","MoKα","","0.04","0.03","","","0.0575","0.06","","","","","","1.039","","","","has coordinates","190095","2020-10-21","18:00:00",""
"7226866","8.8275","0.0002","9.8653","0.0002","10.7261","0.0003","92.093","0.002","91.266","0.002","114.712","0.001","847.26","0.04","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H14 Br2 Hg N4 O2 -","- C13 H14 Br2 Hg N4 O2 -","- C26 H28 Br4 Hg2 N8 O4 -","2","1","","Mahmoudi, Ghodrat; Bauzá, Antonio; Gurbanov, Atash V.; Zubkov, Fedor I.; Maniukiewicz, Waldemar; Rodríguez-Diéguez, Antonio; López-Torres, Elena; Frontera, Antonio","The role of unconventional stacking interactions in the supramolecular assemblies of Hg(ii) coordination compounds","CrystEngComm","2016","18","47","9056","","10.1039/C6CE02073A","","","0.71069","MoKα","","0.0679","0.0398","","","0.0963","0.1246","","","","","","1.062","","","","has coordinates","190095","2020-10-21","18:00:00",""
"7226867","7.9297","0.0016","13.566","0.003","14.212","0.003","90","","90.29","0.03","90","","1528.8","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 Cl2 Hg N4 O -","- C13 H12 Cl2 Hg N4 O -","- C52 H48 Cl8 Hg4 N16 O4 -","4","1","","Mahmoudi, Ghodrat; Bauzá, Antonio; Gurbanov, Atash V.; Zubkov, Fedor I.; Maniukiewicz, Waldemar; Rodríguez-Diéguez, Antonio; López-Torres, Elena; Frontera, Antonio","The role of unconventional stacking interactions in the supramolecular assemblies of Hg(ii) coordination compounds","CrystEngComm","2016","18","47","9056","","10.1039/C6CE02073A","","","0.71073","MoKα","","0.0478","0.0266","","","0.054","0.0591","","","","","","1.03","","","","has coordinates","190095","2020-10-21","18:00:00",""
"7226868","8.1943","0.0002","13.4627","0.0002","14.4493","0.0003","90","","90.865","0.002","90","","1593.83","0.06","190","2","190","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 Br2 Hg N4 O -","- C13 H12 Br2 Hg N4 O -","- C52 H48 Br8 Hg4 N16 O4 -","4","1","","Mahmoudi, Ghodrat; Bauzá, Antonio; Gurbanov, Atash V.; Zubkov, Fedor I.; Maniukiewicz, Waldemar; Rodríguez-Diéguez, Antonio; López-Torres, Elena; Frontera, Antonio","The role of unconventional stacking interactions in the supramolecular assemblies of Hg(ii) coordination compounds","CrystEngComm","2016","18","47","9056","","10.1039/C6CE02073A","","","0.71073","MoKα","","0.0586","0.0368","","","0.0638","0.0728","","","","","","1.036","","","","has coordinates","190095","2020-10-21","18:00:00",""
"7226869","10.6087","0.0004","14.778","0.0007","15.9432","0.0008","98.559","0.004","106.58","0.004","104.976","0.004","2246.3","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C90 H86 Cu9 N14 O32 -","- C90 H86 Cu9 N14 O32 -","- C90 H86 Cu9 N14 O32 -","1","0.5","","Jiao, Chengli; Jiang, Xia; Chu, Hailiang; Jiang, Heqing; Sun, Lixian","A mixed-valent CuI/CuII metal‒organic framework with selective chemical sensing properties","CrystEngComm","2016","18","44","8683","","10.1039/C6CE01827K","","","1.54184","CuKα","","0.067","0.0566","","","0.1507","0.1626","","","","","","1.039","","","","has coordinates","190089","2020-10-21","18:00:00",""
"7226881","30.656","0.003","27.727","0.005","3.7908","0.0004","90","","90","","90","","3222.2","0.7","120","2","120","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C9 H7 N3 O2 -","- C9 H7 N3 O2 -","- C144 H112 N48 O32 -","16","1","","Rahmani, M.; Salimi, A.; Mohammadzadeh, S.; Sparkes, H. A.","The supramolecular effect of aromaticity on the crystal packing of furan/thiophene carboxamide compounds","CrystEngComm","2016","18","46","8953","","10.1039/C6CE01945E","","","0.71073","MoKα","","0.0566","0.0499","","","0.1221","0.1282","","","","","","1.074","","","","has coordinates","190062","2020-10-21","18:00:00",""
"7226882","7.9507","0.0004","11.7608","0.0005","10.1981","0.0004","90","","110.216","0.005","90","","894.85","0.07","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H7 N3 O S -","- C9 H7 N3 O S -","- C36 H28 N12 O4 S4 -","4","1","","Rahmani, M.; Salimi, A.; Mohammadzadeh, S.; Sparkes, H. A.","The supramolecular effect of aromaticity on the crystal packing of furan/thiophene carboxamide compounds","CrystEngComm","2016","18","46","8953","","10.1039/C6CE01945E","","","0.71073","MoKα","","0.0339","0.0312","","","0.0771","0.0787","","","","","","1.075","","","","has coordinates","190062","2020-10-21","18:00:00",""
"7226883","16.685","0.0005","5.027","0.0002","22.863","0.0007","90","","96.02","0.002","90","","1907.07","0.11","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 N2 O7 -","- C22 H20 N2 O7 -","- C88 H80 N8 O28 -","4","0.5","","Gopan, Gopika; Salini, P. S.; Deb, Somadrita; Hariharan, Mahesh","V-shaped oxydiphthalimides: side-chain engineering regulates crystallisation-induced emission enhancement","CrystEngComm","2017","19","3","419","","10.1039/C6CE01738J","","","0.71073","MoKα","","0.0421","0.0344","","","0.0843","0.091","","","","","","1.036","","","","has coordinates","191562","2020-10-21","18:00:00",""
"7226884","16.4774","0.001","5.1561","0.0004","24.853","0.0016","90","","92.793","0.004","90","","2109","0.2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 N2 O5 -","- C24 H24 N2 O5 -","- C96 H96 N8 O20 -","4","0.5","","Gopan, Gopika; Salini, P. S.; Deb, Somadrita; Hariharan, Mahesh","V-shaped oxydiphthalimides: side-chain engineering regulates crystallisation-induced emission enhancement","CrystEngComm","2017","19","3","419","","10.1039/C6CE01738J","","","0.71073","MoKα","","0.0782","0.0612","","","0.1761","0.1902","","","","","","1.057","","","","has coordinates","191562","2020-10-21","18:00:00",""
"7226885","43.491","0.005","5.2413","0.0005","19.472","0.002","90","","104.452","0.004","90","","4298.2","0.8","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H24 N2 O5 -","- C26 H24 N2 O5 -","- C208 H192 N16 O40 -","8","1","","Gopan, Gopika; Salini, P. S.; Deb, Somadrita; Hariharan, Mahesh","V-shaped oxydiphthalimides: side-chain engineering regulates crystallisation-induced emission enhancement","CrystEngComm","2017","19","3","419","","10.1039/C6CE01738J","","","0.71073","MoKα","","0.1059","0.0507","","","0.12","0.1484","","","","","","1.02","","","","has coordinates,has disorder","191562","2020-10-21","18:00:00",""
"7226886","32.3856","0.0016","5.3119","0.0002","15.6793","0.0008","90","","110.527","0.003","90","","2526","0.2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H30 N2 O5 -","- C30 H30 N2 O5 -","- C120 H120 N8 O20 -","4","0.5","","Gopan, Gopika; Salini, P. S.; Deb, Somadrita; Hariharan, Mahesh","V-shaped oxydiphthalimides: side-chain engineering regulates crystallisation-induced emission enhancement","CrystEngComm","2017","19","3","419","","10.1039/C6CE01738J","","","0.71073","MoKα","","0.0952","0.0726","","","0.2056","0.236","","","","","","1.046","","","","has coordinates","191562","2020-10-21","18:00:00",""
"7226887","13.856","0.0007","20.5314","0.0011","13.6341","0.0007","90","","116.97","0.002","90","","3456.8","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H40 N2 O5 -","- C40 H40 N2 O5 -","- C160 H160 N8 O20 -","4","1","","Gopan, Gopika; Salini, P. S.; Deb, Somadrita; Hariharan, Mahesh","V-shaped oxydiphthalimides: side-chain engineering regulates crystallisation-induced emission enhancement","CrystEngComm","2017","19","3","419","","10.1039/C6CE01738J","","","0.71073","MoKα","","0.1039","0.0554","","","0.1462","0.1906","","","","","","1.063","","","","has coordinates","191562","2020-10-21","18:00:00",""
"7226904","7.6148","0.0009","7.8988","0.0008","24.473","0.003","90","","90","","90","","1472","0.3","120","2","120","2","","","","","","","","4","C m c e","-C 2ac 2","64","","?DW-X-7-SEB 2-amino-5-(iodoethynyl)-pyrimidine","","- C6 H4 I N3 -","- C6 H4 I N3 -","- C48 H32 I8 N24 -","8","0.5","","Aakeröy, Christer B.; Welideniya, Dhanushi; Desper, John","Ethynyl hydrogen bonds and iodoethynyl halogen bonds: a case of synthon mimicry","CrystEngComm","2017","19","1","11","","10.1039/C6CE02201D","","","0.71073","MoKα","","0.1004","0.0865","","","0.1898","0.1975","","","","","","1.064","","","","has coordinates","191574","2020-10-21","18:00:00",""
"7226905","4.3404","0.0007","7.7073","0.0012","8.6344","0.0015","90","","91.363","0.009","90","","288.76","0.08","120","2","120","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","DW-Y-2 2-amino-5-ethynylpyrimidine","","- C6 H5 N3 -","- C6 H5 N3 -","- C12 H10 N6 -","2","0.5","","Aakeröy, Christer B.; Welideniya, Dhanushi; Desper, John","Ethynyl hydrogen bonds and iodoethynyl halogen bonds: a case of synthon mimicry","CrystEngComm","2017","19","1","11","","10.1039/C6CE02201D","","","0.71073","MoKα","","0.0524","0.0416","","","0.1199","0.1299","","","","","","1.067","","","","has coordinates","191574","2020-10-21","18:00:00",""
"7226906","5.7837","0.0005","6.113","0.0005","16.4016","0.0014","98.086","0.004","92.18","0.004","101.892","0.004","560.46","0.08","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","DW-X-8-DOD [2-amino-5-(iodoethynyl)-pyrimidine]2, 2,3,5,6-Me4-pyrazine","","- C20 H20 I2 N8 -","- C20 H20 I2 N8 -","- C20 H20 I2 N8 -","1","0.5","","Aakeröy, Christer B.; Welideniya, Dhanushi; Desper, John","Ethynyl hydrogen bonds and iodoethynyl halogen bonds: a case of synthon mimicry","CrystEngComm","2017","19","1","11","","10.1039/C6CE02201D","","","0.71073","MoKα","","0.0384","0.0319","","","0.0887","0.0919","","","","","","1.069","","","","has coordinates","191574","2020-10-21","18:00:00",""
"7226907","5.7849","0.0018","6.0656","0.0018","14.756","0.005","79.742","0.008","88.831","0.008","80.342","0.007","502.3","0.3","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","DW-Y-8 (2-amino-5-ethynylpyrimidine)2, 2,3,5,6-Me4-pyrazine","","- C20 H22 N8 -","- C20 H22 N8 -","- C20 H22 N8 -","1","0.5","","Aakeröy, Christer B.; Welideniya, Dhanushi; Desper, John","Ethynyl hydrogen bonds and iodoethynyl halogen bonds: a case of synthon mimicry","CrystEngComm","2017","19","1","11","","10.1039/C6CE02201D","","","0.71073","MoKα","","0.067","0.0463","","","0.1222","0.1365","","","","","","1.099","","","","has coordinates,has disorder","191574","2020-10-21","18:00:00",""
"7226908","19.625","0.002","7.5472","0.0007","8.2583","0.0008","90","","100.95","0.004","90","","1200.9","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","DW-X-4 [2-amino-5-(iodoethynyl)-pyrimidine]2, 1,2-bis(4-pyridyl)ethylene","","- C24 H18 I2 N8 -","- C24 H18 I2 N8 -","- C48 H36 I4 N16 -","2","0.5","","Aakeröy, Christer B.; Welideniya, Dhanushi; Desper, John","Ethynyl hydrogen bonds and iodoethynyl halogen bonds: a case of synthon mimicry","CrystEngComm","2017","19","1","11","","10.1039/C6CE02201D","","","0.71073","MoKα","","0.0305","0.0242","","","0.0539","0.0567","","","","","","1.058","","","","has coordinates","191574","2020-10-21","18:00:00",""
"7226909","5.9068","0.0006","11.5286","0.0012","15.8169","0.0016","104.471","0.004","93.042","0.005","95.934","0.004","1033.84","0.18","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","DW-Y-4 2-amino-5-ethynylpyrimidine, (1,2-bis(4-pyridyl)ethylene)2","","- C24 H20 N8 -","- C24 H20 N8 -","- C48 H40 N16 -","2","1","","Aakeröy, Christer B.; Welideniya, Dhanushi; Desper, John","Ethynyl hydrogen bonds and iodoethynyl halogen bonds: a case of synthon mimicry","CrystEngComm","2017","19","1","11","","10.1039/C6CE02201D","","","0.71073","MoKα","","0.0879","0.0573","","","0.1611","0.1814","","","","","","1.096","","","","has coordinates,has disorder","191574","2020-10-21","18:00:00",""
"7226910","13.066","0.005","19.265","0.005","20.892","0.005","97.447","0.005","101.774","0.005","99.064","0.005","5012","3","298","2","298.15","","","","","","","","","8","P -1","-P 1","2","","","","- Cr Cs5 H24 K2 O90 Si2 Ta6 W18 -","- Cr Cs5 K2 O83 Si2 Ta6 W18 -","- Cr2 Cs10 K4 O166 Si4 Ta12 W36 -","2","1","","Huang, Peng; Han, Xi-Guang; Li, Xiu-Ling; Qin, Chao; Wang, Xin-Long; Su, Zhong-Min","Self-assembly and photocatalytic properties of Ta/W mixed-addendum polyoxometalate and transition-metal cations","CrystEngComm","2016","18","45","8722","","10.1039/C6CE01953F","","","0.71069","MoKα","","0.0978","0.079","","","0.2087","0.2226","","","","","","0.971","","","","has coordinates","190080","2020-10-21","18:00:00",""
"7226911","34.419","0.005","16.271","0.005","21.596","0.005","90","0.005","114.928","0.005","90","0.005","10968","5","298","2","298.15","","","","","","","","","9","C 1 2/m 1","-C 2y","12","","","","- Cl2 Cs3 Fe H36 K4 O95 Si2 Ta6 W18 -","- Cl2 Cs4 Fe K4 O93 Si2 Ta6 W18 -","- Cl8 Cs16 Fe4 K16 O372 Si8 Ta24 W72 -","4","0.5","","Huang, Peng; Han, Xi-Guang; Li, Xiu-Ling; Qin, Chao; Wang, Xin-Long; Su, Zhong-Min","Self-assembly and photocatalytic properties of Ta/W mixed-addendum polyoxometalate and transition-metal cations","CrystEngComm","2016","18","45","8722","","10.1039/C6CE01953F","","","0.71069","MoKα","","0.0743","0.049","","","0.1242","0.1399","","","","","","1.02","","","","has coordinates","190080","2020-10-21","18:00:00",""
"7226912","31.07","0.04","10.5077","0.0013","8.559","0.0009","90","","90","","90","","2794","4","299","2","299","2","500000","","500000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 4. The complex influence of high pressure on the path and kinetics of the [2 + 2] photodimerization","CrystEngComm","2016","18","46","8898","","10.1039/C6CE01650B","","","0.71073","MoKα","","0.2111","0.1183","","","0.3153","0.3792","","","","","","1.093","","","","has coordinates,has disorder","190063","2020-10-21","18:00:00",""
"7226913","31.16","0.06","10.4812","0.0019","8.5557","0.0014","90","","90","","90","","2794","5","299","2","299","2","500000","","500000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 4. The complex influence of high pressure on the path and kinetics of the [2 + 2] photodimerization","CrystEngComm","2016","18","46","8898","","10.1039/C6CE01650B","","","0.71073","MoKα","","0.2434","0.1371","","","0.3601","0.4245","","","","","","1.316","","","","has coordinates,has disorder","190063","2020-10-21","18:00:00",""
"7226914","31.05","0.05","10.491","0.0016","8.5775","0.0013","90","","90","","90","","2794","5","299","2","299","2","500000","","500000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 4. The complex influence of high pressure on the path and kinetics of the [2 + 2] photodimerization","CrystEngComm","2016","18","46","8898","","10.1039/C6CE01650B","","","0.71073","MoKα","","0.2364","0.1329","","","0.3763","0.4351","","","","","","1.356","","","","has coordinates,has disorder","190063","2020-10-21","18:00:00",""
"7226915","31.05","0.05","10.491","0.0016","8.5625","0.0013","90","","90","","90","","2789","5","299","2","299","2","500000","","500000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 4. The complex influence of high pressure on the path and kinetics of the [2 + 2] photodimerization","CrystEngComm","2016","18","46","8898","","10.1039/C6CE01650B","","","0.71073","MoKα","","0.2683","0.1456","","","0.3814","0.4502","","","","","","1.411","","","","has coordinates,has disorder","190063","2020-10-21","18:00:00",""
"7226916","30.99","0.03","10.5162","0.0012","8.5388","0.0009","90","","90","","90","","2783","3","299","2","299","2","500000","","500000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 4. The complex influence of high pressure on the path and kinetics of the [2 + 2] photodimerization","CrystEngComm","2016","18","46","8898","","10.1039/C6CE01650B","","","0.71073","MoKα","","0.2247","0.1203","","","0.3024","0.3732","","","","","","1.054","","","","has coordinates,has disorder","190063","2020-10-21","18:00:00",""
"7226917","30.83","0.03","10.5572","0.0011","8.5066","0.0009","90","","90","","90","","2769","3","299","2","299","2","500000","","500000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 4. The complex influence of high pressure on the path and kinetics of the [2 + 2] photodimerization","CrystEngComm","2016","18","46","8898","","10.1039/C6CE01650B","","","0.71073","MoKα","","0.1812","0.1032","","","0.2518","0.3041","","","","","","1.037","","","","has coordinates","190063","2020-10-21","18:00:00",""
"7226918","30.88","0.04","10.2558","0.0009","8.4545","0.0009","90","","90","","90","","2678","3","299","2","299","2","1000000","","1200000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 4. The complex influence of high pressure on the path and kinetics of the [2 + 2] photodimerization","CrystEngComm","2016","18","46","8898","","10.1039/C6CE01650B","","","0.71073","MoKα","","0.1557","0.0886","","","0.2595","0.2959","","","","","","1.106","","","","has coordinates,has disorder","190063","2020-10-21","18:00:00",""
"7226919","30.68","0.03","10.3153","0.0007","8.3651","0.0006","90","","90","","90","","2647","3","299","2","299","2","1000000","","1200000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 4. The complex influence of high pressure on the path and kinetics of the [2 + 2] photodimerization","CrystEngComm","2016","18","46","8898","","10.1039/C6CE01650B","","","0.71073","MoKα","","0.1099","0.0662","","","0.1734","0.2017","","","","","","1.063","","","","has coordinates","190063","2020-10-21","18:00:00",""
"7226920","30.37","0.03","10.2318","0.0012","8.3984","0.0009","90","","90","","90","","2610","3","299","2","299","2","1200000","","1200000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 4. The complex influence of high pressure on the path and kinetics of the [2 + 2] photodimerization","CrystEngComm","2016","18","46","8898","","10.1039/C6CE01650B","","","0.71073","MoKα","","0.1957","0.0923","","","0.2315","0.2998","","","","","","1.049","","","","has coordinates,has disorder","190063","2020-10-21","18:00:00",""
"7226921","30.46","0.03","10.2338","0.001","8.3341","0.0009","90","","90","","90","","2598","3","299","2","299","2","1200000","","1200000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 4. The complex influence of high pressure on the path and kinetics of the [2 + 2] photodimerization","CrystEngComm","2016","18","46","8898","","10.1039/C6CE01650B","","","0.71073","MoKα","","0.182","0.1028","","","0.2758","0.3321","","","","","","1.075","","","","has coordinates","190063","2020-10-21","18:00:00",""
"7226922","30.934","0.002","10.379","0.003","8.5247","0.0012","90","","90","","90","","2737","0.9","299","2","299","2","700000","","700000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 4. The complex influence of high pressure on the path and kinetics of the [2 + 2] photodimerization","CrystEngComm","2016","18","46","8898","","10.1039/C6CE01650B","","","0.71073","MoKα","","0.1657","0.0852","","","0.1963","0.2429","","","","","","1.036","","","","has coordinates,has disorder","190063","2020-10-21","18:00:00",""
"7226923","30.841","0.002","10.374","0.003","8.5367","0.0013","90","","90","","90","","2731.3","0.9","299","2","299","2","700000","","700000","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Bąkowicz, J.; Turowska-Tyrk, I.","Structural transformations in crystals induced by radiation and pressure. Part 4. The complex influence of high pressure on the path and kinetics of the [2 + 2] photodimerization","CrystEngComm","2016","18","46","8898","","10.1039/C6CE01650B","","","0.71073","MoKα","","0.2251","0.1224","","","0.301","0.3602","","","","","","1.061","","","","has coordinates,has disorder","190063","2020-10-21","18:00:00",""
"7226924","7.8304","0.0009","15.1834","0.0018","12.9152","0.0015","90","","103.176","0.005","90","","1495.1","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Mp-p1B-H5 F5-I-benzene, [1,2,3]Triazolo[1,5-a]quinoline","","- C16 H7 F5 I N3 -","- C16 H7 F5 I N3 -","- C64 H28 F20 I4 N12 -","4","1","","Perera, M. D.; Desper, J.; Sinha, A. S.; Aakeröy, C. B.","Impact and importance of electrostatic potential calculations for predicting structural patterns of hydrogen and halogen bonding","CrystEngComm","2016","18","44","8631","","10.1039/C6CE02089E","","","0.71073","MoKα","","0.035","0.0265","","","0.0604","0.0651","","","","","","1.055","","","","has coordinates","190088","2020-10-21","18:00:00",""
"7226925","6.6906","0.0014","9.568","0.002","10.618","0.002","64.954","0.006","79.728","0.005","87.328","0.005","605.6","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Mp-p1b-Hb7 1,4-diiodotetrafluorobenzene, ([1,2,3]Triazolo[1,5-a]quinoline)2","","- C26 H14 F4 I2 N6 -","- C26 H14 F4 I2 N6 -","- C26 H14 F4 I2 N6 -","1","0.5","","Perera, M. D.; Desper, J.; Sinha, A. S.; Aakeröy, C. B.","Impact and importance of electrostatic potential calculations for predicting structural patterns of hydrogen and halogen bonding","CrystEngComm","2016","18","44","8631","","10.1039/C6CE02089E","","","0.71073","MoKα","","0.0188","0.0181","","","0.0457","0.0464","","","","","","1.105","","","","has coordinates","190088","2020-10-21","18:00:00",""
"7226926","6.9843","0.0006","25.501","0.002","6.8129","0.0006","90","","108.111","0.004","90","","1153.3","0.17","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Mp-p1b-H11 {[1,2,3]Triazolo[1,5-a]quinoline}2, HOOC-(CH2)4-COOH","","- C26 H24 N6 O4 -","- C26 H24 N6 O4 -","- C52 H48 N12 O8 -","2","0.5","","Perera, M. D.; Desper, J.; Sinha, A. S.; Aakeröy, C. B.","Impact and importance of electrostatic potential calculations for predicting structural patterns of hydrogen and halogen bonding","CrystEngComm","2016","18","44","8631","","10.1039/C6CE02089E","","","0.71073","MoKα","","0.0642","0.0477","","","0.1181","0.1309","","","","","","1.097","","","","has coordinates","190088","2020-10-21","18:00:00",""
"7226927","10.9465","0.001","8.6731","0.0008","50.527","0.005","90","","93.861","0.004","90","","4786.2","0.8","120","2","120","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Mp-p1b-H10 [1,2,3]Triazolo[1,5-a]quinoline","","- C10 H7 N3 -","- C10 H7 N3 -","- C240 H168 N72 -","24","3","","Perera, M. D.; Desper, J.; Sinha, A. S.; Aakeröy, C. B.","Impact and importance of electrostatic potential calculations for predicting structural patterns of hydrogen and halogen bonding","CrystEngComm","2016","18","44","8631","","10.1039/C6CE02089E","","","0.71073","MoKα","","0.1308","0.0697","","","0.1808","0.2101","","","","","","1.065","","","","has coordinates","190088","2020-10-21","18:00:00",""
"7226928","6.3976","0.0015","20.616","0.005","10.876","0.003","90","","98.126","0.009","90","","1420.1","0.6","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Mp-p1b-H21 [1,2,3]Triazolo[1,5-a]quinoline, 2-F-PhCOOH","","- C17 H12 F N3 O2 -","- C17 H12 F N3 O2 -","- C68 H48 F4 N12 O8 -","4","1","","Perera, M. D.; Desper, J.; Sinha, A. S.; Aakeröy, C. B.","Impact and importance of electrostatic potential calculations for predicting structural patterns of hydrogen and halogen bonding","CrystEngComm","2016","18","44","8631","","10.1039/C6CE02089E","","","0.71073","MoKα","","0.071","0.0504","","","0.1288","0.1439","","","","","","1.104","","","","has coordinates,has disorder","190088","2020-10-21","18:00:00",""
"7226929","28.065","0.011","36.966","0.014","4.2708","0.0016","90","","90","","90","","4431","3","120","2","120","2","","","","","","","","4","F d d 2","F 2 -2d","43","","Mp-p1b-H15 {[1,2,3]Triazolo[1,5-a]quinoline}2, HOOC-(CH2)3-COOH","","- C25 H22 N6 O4 -","- C25 H22 N6 O4 -","- C200 H176 N48 O32 -","8","0.5","","Perera, M. D.; Desper, J.; Sinha, A. S.; Aakeröy, C. B.","Impact and importance of electrostatic potential calculations for predicting structural patterns of hydrogen and halogen bonding","CrystEngComm","2016","18","44","8631","","10.1039/C6CE02089E","","","0.71073","MoKα","","0.0899","0.0533","","","0.1095","0.126","","","","","","0.986","","","","has coordinates","190088","2020-10-21","18:00:00",""
"7226930","6.658","0.0008","9.8155","0.0011","10.4663","0.0013","65.256","0.004","79.993","0.004","84.833","0.004","611.63","0.13","120","2","120","2","","","","","","","","6","P 1","P 1","1","","Mp-p1b-H24 {[1,2,3]Triazolo[1,5-a]quinoline}2, 4-I-F4-PhCOOH","","- C27 H15 F4 I N6 O2 -","- C27 H15 F4 I N6 O2 -","- C27 H15 F4 I N6 O2 -","1","1","","Perera, M. D.; Desper, J.; Sinha, A. S.; Aakeröy, C. B.","Impact and importance of electrostatic potential calculations for predicting structural patterns of hydrogen and halogen bonding","CrystEngComm","2016","18","44","8631","","10.1039/C6CE02089E","","","0.71073","MoKα","","0.026","0.0257","","","0.0629","0.0633","","","","","","1.031","","","","has coordinates,has disorder","190088","2020-10-21","18:00:00",""
"7226931","9.3698","0.0006","13.7351","0.0009","12.2408","0.0008","90","","90.6496","0.0015","90","","1575.23","0.18","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Mp-p1b-H29 [1,2,3]Triazolo[1,5-a]pyridine, 1,3,5-F3-2,4,6-I3-benzene","","- C12 H5 F3 I3 N3 -","- C12 H5 F3 I3 N3 -","- C48 H20 F12 I12 N12 -","4","1","","Perera, M. D.; Desper, J.; Sinha, A. S.; Aakeröy, C. B.","Impact and importance of electrostatic potential calculations for predicting structural patterns of hydrogen and halogen bonding","CrystEngComm","2016","18","44","8631","","10.1039/C6CE02089E","","","0.71073","MoKα","","0.0335","0.0288","","","0.0585","0.0598","","","","","","1.21","","","","has coordinates","190088","2020-10-21","18:00:00",""
"7226932","8.1237","0.0017","7.1542","0.0015","12.318","0.003","90","","92.502","0.007","90","","715.2","0.3","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Mp-p1b-H28 [1,2,3]triazolo[1,5-a]pyridine, 1,2-diiodotetrafluorobenzene","","- C12 H5 F4 I2 N3 -","- C12 H5 F4 I2 N3 -","- C24 H10 F8 I4 N6 -","2","1","","Perera, M. D.; Desper, J.; Sinha, A. S.; Aakeröy, C. B.","Impact and importance of electrostatic potential calculations for predicting structural patterns of hydrogen and halogen bonding","CrystEngComm","2016","18","44","8631","","10.1039/C6CE02089E","","","0.71073","MoKα","","0.0187","0.018","","","0.0499","0.0502","","","","","","1.113","","","","has coordinates","190088","2020-10-21","18:00:00",""
"7226941","18.855","0.002","5.622","0.0004","16.886","0.002","90","","121.342","0.017","90","","1528.8","0.4","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H14 Cu N6 O S2 -","- C10 H14 Cu N6 O S2 -","- C40 H56 Cu4 N24 O4 S8 -","4","0.5","","Świtlicka, A.; Czerwińska, K.; Machura, B.; Penkala, M.; Bieńko, A.; Bieńko, D.; Zierkiewicz, W.","Thiocyanate copper complexes with pyrazole-derived ligands ‒ synthesis, crystal structures, DFT calculations and magnetic properties","CrystEngComm","2016","18","47","9042","","10.1039/C6CE01739H","","","0.71073","MoKα","","0.044","0.0348","","","0.0794","0.0837","","","","","","1.066","","","","has coordinates","190094","2020-10-21","18:00:00",""
"7226942","9.8235","0.0005","10.5552","0.0006","15.0423","0.0006","77.423","0.004","79.796","0.004","63.616","0.006","1357.95","0.14","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H56 Cu3 N18 O2 S6 -","- C38 H56 Cu3 N18 O2 S6 -","- C38 H56 Cu3 N18 O2 S6 -","1","0.5","","Świtlicka, A.; Czerwińska, K.; Machura, B.; Penkala, M.; Bieńko, A.; Bieńko, D.; Zierkiewicz, W.","Thiocyanate copper complexes with pyrazole-derived ligands ‒ synthesis, crystal structures, DFT calculations and magnetic properties","CrystEngComm","2016","18","47","9042","","10.1039/C6CE01739H","","","0.71073","MoKα","","0.0568","0.0344","","","0.0778","0.0835","","","","","","0.951","","","","has coordinates","190094","2020-10-21","18:00:00",""
"7226943","20.3583","0.0015","7.8165","0.0004","21.6675","0.0017","90","","116.1","0.009","90","","3096.4","0.4","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 Cu2 N11 S3 -","- C25 H32 Cu2 N11 S3 -","- C100 H128 Cu8 N44 S12 -","4","1","","Świtlicka, A.; Czerwińska, K.; Machura, B.; Penkala, M.; Bieńko, A.; Bieńko, D.; Zierkiewicz, W.","Thiocyanate copper complexes with pyrazole-derived ligands ‒ synthesis, crystal structures, DFT calculations and magnetic properties","CrystEngComm","2016","18","47","9042","","10.1039/C6CE01739H","","","0.71073","MoKα","","0.0853","0.0503","","","0.1147","0.1293","","","","","","0.983","","","","has coordinates","190094","2020-10-21","18:00:00",""
"7226944","12.7902","0.0007","8.3391","0.0003","15.9931","0.0007","90","","113.001","0.006","90","","1570.19","0.14","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 Cu N7 S2 -","- C13 H9 Cu N7 S2 -","- C52 H36 Cu4 N28 S8 -","4","1","","Świtlicka, A.; Czerwińska, K.; Machura, B.; Penkala, M.; Bieńko, A.; Bieńko, D.; Zierkiewicz, W.","Thiocyanate copper complexes with pyrazole-derived ligands ‒ synthesis, crystal structures, DFT calculations and magnetic properties","CrystEngComm","2016","18","47","9042","","10.1039/C6CE01739H","","","0.71073","MoKα","","0.0417","0.0299","","","0.0743","0.0789","","","","","","1.04","","","","has coordinates","190094","2020-10-21","18:00:00",""
"7226969","18","0.0009","18.933","0.001","28.187","0.002","76.131","0.002","71.402","0.003","86.574","0.003","8837.5","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C152 H142 N16 O47 S8 -","- C152 H112 N16 O47 S8 -","- C304 H224 N32 O94 S16 -","2","1","","Leśniewska, Barbara; Coleman, Anthony W.; Tauran, Yannick; Perret, Florent; Suwińska, Kinga","Pseudopolymorphs ‒ a variety of self-organization of para-sulphonato-calix[8]arene and phenanthroline in the solid state","CrystEngComm","2016","18","46","8858","","10.1039/C6CE01753C","","","0.71073","MoKα","","0.3207","0.22","","","0.4847","0.5243","","","","","","1.678","","","","has coordinates,has disorder","190065","2020-10-21","18:00:00",""
"7226970","34.8241","0.0009","11.9401","0.0002","41.747","0.001","90","","98.01","0.003","90","","17189.2","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C180 H182 N20 O55 S8 -","- C180 H140 N20 O55 S8 -","- C720 H560 N80 O220 S32 -","4","0.5","","Leśniewska, Barbara; Coleman, Anthony W.; Tauran, Yannick; Perret, Florent; Suwińska, Kinga","Pseudopolymorphs ‒ a variety of self-organization of para-sulphonato-calix[8]arene and phenanthroline in the solid state","CrystEngComm","2016","18","46","8858","","10.1039/C6CE01753C","","","1.5418","CuKα","","0.1485","0.1372","","","0.3708","0.3747","","","","","","1.203","","","","has coordinates,has disorder","190065","2020-10-21","18:00:00",""
"7226971","14.8749","0.0004","20.9698","0.0008","30.2225","0.0009","97.318","0.003","99.924","0.002","95.529","0.003","9142.6","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C388 H375 N46 O112 S16 -","- C388 H327 N46 O112 S16 -","- C388 H327 N46 O112 S16 -","1","0.5","","Leśniewska, Barbara; Coleman, Anthony W.; Tauran, Yannick; Perret, Florent; Suwińska, Kinga","Pseudopolymorphs ‒ a variety of self-organization of para-sulphonato-calix[8]arene and phenanthroline in the solid state","CrystEngComm","2016","18","46","8858","","10.1039/C6CE01753C","","","1.5418","CuKα","","0.0978","0.0778","","","0.246","0.2607","","","","","","0.946","","","","has coordinates,has disorder","190065","2020-10-21","18:00:00",""
"7226972","16.746","0.006","34.094","0.013","19.114","0.008","90","","104.321","0.006","90","","10574","7","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C78 H84 Mg4 N2 O27 -","- C78 H84 Mg4 N2 O27 -","- C312 H336 Mg16 N8 O108 -","4","1","","Vishnoi, Pratap; Kaleeswaran, D.; Kalita, Alok Ch.; Murugavel, Ramaswamy","Dependence of the SBU length on the size of metal ions in alkaline earth MOFs derived from a flexible C3-symmetric tricarboxylic acid","CrystEngComm","2016","18","47","9130","","10.1039/C6CE01821A","","","0.71075","MoKα","","0.1528","0.0967","","","0.2591","0.2925","","","","","","1.034","","","","has coordinates","190093","2020-10-21","18:00:00",""
"7226973","15.547","0.006","20.203","0.01","20.451","0.012","118.19","0.03","95.92","0.07","103.52","0.05","5331","6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H79 Ca4 Cl N2 O26 -","- C72 H79 Ca4 Cl N2 O26 -","- C144 H158 Ca8 Cl2 N4 O52 -","2","1","","Vishnoi, Pratap; Kaleeswaran, D.; Kalita, Alok Ch.; Murugavel, Ramaswamy","Dependence of the SBU length on the size of metal ions in alkaline earth MOFs derived from a flexible C3-symmetric tricarboxylic acid","CrystEngComm","2016","18","47","9130","","10.1039/C6CE01821A","","","0.71073","MoKα","","0.1977","0.1417","","","0.3812","0.4188","","","","","","1.114","","","","has coordinates","190093","2020-10-21","18:00:00",""
"7226974","16.331","0.006","19.681","0.005","21.132","0.004","59.93","0.017","71.32","0.02","83.87","0.02","5556","3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C92 H114 N6 O28 Sr4 -","- C92 H114 N6 O28 Sr4 -","- C184 H228 N12 O56 Sr8 -","2","1","","Vishnoi, Pratap; Kaleeswaran, D.; Kalita, Alok Ch.; Murugavel, Ramaswamy","Dependence of the SBU length on the size of metal ions in alkaline earth MOFs derived from a flexible C3-symmetric tricarboxylic acid","CrystEngComm","2016","18","47","9130","","10.1039/C6CE01821A","","","0.71075","MoKα","","0.1618","0.1064","","","0.2324","0.2687","","","","","","1.042","","","","has coordinates","190093","2020-10-21","18:00:00",""
"7226975","19.519","0.004","19.943","0.003","32.106","0.007","76.687","0.014","83.425","0.015","61.034","0.009","10641","4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C188 H234 Ba9 N20 O68 -","- C188 H234 Ba9 N20 O68 -","- C376 H468 Ba18 N40 O136 -","2","1","","Vishnoi, Pratap; Kaleeswaran, D.; Kalita, Alok Ch.; Murugavel, Ramaswamy","Dependence of the SBU length on the size of metal ions in alkaline earth MOFs derived from a flexible C3-symmetric tricarboxylic acid","CrystEngComm","2016","18","47","9130","","10.1039/C6CE01821A","","","0.71073","MoKα","","0.0448","0.0308","","","0.0597","0.0637","","","","","","0.72","","","","has coordinates","190093","2020-10-21","18:00:00",""
"7226987","6.9223","0.0013","8.2857","0.0016","16.275","0.003","79.871","0.005","78.545","0.004","82.818","0.005","896.7","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","isoliquiritigenin-isonicotinamide cocrystal","","- C21 H18 N2 O5 -","- C21 H18 N2 O5 -","- C42 H36 N4 O10 -","2","1","","Xu, Jia; Huang, Yuting; Ruan, Sida; Chi, Zongliang; Qin, Kunming; Cai, Baochang; Cai, Ting","Cocrystals of isoliquiritigenin with enhanced pharmacokinetic performance","CrystEngComm","2016","18","45","8776","","10.1039/C6CE01809B","","","0.71073","MoKα","","0.1303","0.0744","","","0.1727","0.2","","","","","","1.023","","","","has coordinates","190082","2020-10-21","18:00:00",""
"7226988","21.909","0.006","3.7898","0.0013","23.918","0.007","90","","114.968","0.008","90","","1800.3","1","296","2","296","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","isoliquiritigenin-nicotinamide cocrystal","","- C21 H18 N2 O5 -","- C21 H18 N2 O5 -","- C84 H72 N8 O20 -","4","1","","Xu, Jia; Huang, Yuting; Ruan, Sida; Chi, Zongliang; Qin, Kunming; Cai, Baochang; Cai, Ting","Cocrystals of isoliquiritigenin with enhanced pharmacokinetic performance","CrystEngComm","2016","18","45","8776","","10.1039/C6CE01809B","","","0.71073","MoKα","","0.1738","0.1314","","","0.2294","0.2442","","","","","","1.193","","","","has coordinates","190082","2020-10-21","18:00:00",""
"7226989","5.8589","0.0003","20.01","0.0012","10.2562","0.0005","90","","100.97","0.005","90","","1180.43","0.11","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 N2 O6 S2 -","- C24 H24 N2 O6 S2 -","- C48 H48 N4 O12 S4 -","2","0.5","","Pop, Flavia; Lewis, William; Amabilino, David B.","Solid state supramolecular structure of diketopyrrolopyrrole chromophores: correlating stacking geometry with visible light absorption","CrystEngComm","2016","18","46","8933","","10.1039/C6CE02157C","","x-ray","1.54184","CuKα","","0.045","0.0399","","","0.1041","0.109","","","","","","1.041","","","","has coordinates,has disorder","190070","2020-10-21","18:00:00",""
"7226990","15.3622","0.0008","5.6904","0.0003","24.0819","0.001","90","","90","","90","","2105.17","0.18","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C22 H20 N2 O6 S2 -","- C22 H20 N2 O6 S2 -","- C88 H80 N8 O24 S8 -","4","1","","Pop, Flavia; Lewis, William; Amabilino, David B.","Solid state supramolecular structure of diketopyrrolopyrrole chromophores: correlating stacking geometry with visible light absorption","CrystEngComm","2016","18","46","8933","","10.1039/C6CE02157C","","x-ray","1.54184","CuKα","","0.0797","0.0783","","","0.2017","0.2026","","","","","","1.115","","","","has coordinates","190070","2020-10-21","18:00:00",""
"7226991","13.7666","0.0008","4.7286","0.0003","25.9341","0.0013","90","","97.914","0.006","90","","1672.15","0.17","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 N2 O4 S2 -","- C18 H14 N2 O4 S2 -","- C72 H56 N8 O16 S8 -","4","1","","Pop, Flavia; Lewis, William; Amabilino, David B.","Solid state supramolecular structure of diketopyrrolopyrrole chromophores: correlating stacking geometry with visible light absorption","CrystEngComm","2016","18","46","8933","","10.1039/C6CE02157C","","x-ray","1.54184","CuKα","","0.0737","0.0576","","","0.1482","0.1623","","","","","","1.032","","","","has coordinates","190070","2020-10-21","18:00:00",""
"7226992","39.546","0.004","39.546","0.004","5.9306","0.0008","90","","90","","120","","8032.2","1.6","120","2","120","2","","","","","","","","5","R 3","R 3","146","","","","- C19 H18 N2 O2 S2 -","- C19 H18 N2 O2 S2 -","- C342 H324 N36 O36 S36 -","18","","","Pop, Flavia; Lewis, William; Amabilino, David B.","Solid state supramolecular structure of diketopyrrolopyrrole chromophores: correlating stacking geometry with visible light absorption","CrystEngComm","2016","18","46","8933","","10.1039/C6CE02157C","","x-ray","1.54184","CuKα","","0.1233","0.0837","","","0.2238","0.2655","","","","","","1.008","","","","has coordinates,has disorder","190070","2020-10-21","18:00:00",""
"7226993","10.1252","0.0004","14.6758","0.0004","34.2996","0.0009","90","","90","","90","","5096.8","0.3","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H27 Br N2 O4 S2 -","- C25 H27 Br N2 O4 S2 -","- C200 H216 Br8 N16 O32 S16 -","8","1","","Pop, Flavia; Lewis, William; Amabilino, David B.","Solid state supramolecular structure of diketopyrrolopyrrole chromophores: correlating stacking geometry with visible light absorption","CrystEngComm","2016","18","46","8933","","10.1039/C6CE02157C","","x-ray","0.6889","","","0.0967","0.0755","","","0.2206","0.2391","","","","","","1.08","","","","has coordinates,has disorder","190070","2020-10-21","18:00:00",""
"7226994","15.8547","0.0005","6.138","0.0002","37.0248","0.0012","90","","90","","90","","3603.1","0.2","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C19 H16 N2 O4 S2 -","- C19 H16 N2 O4 S2 -","- C152 H128 N16 O32 S16 -","8","2","","Pop, Flavia; Lewis, William; Amabilino, David B.","Solid state supramolecular structure of diketopyrrolopyrrole chromophores: correlating stacking geometry with visible light absorption","CrystEngComm","2016","18","46","8933","","10.1039/C6CE02157C","","x-ray","1.54184","CuKα","","0.1357","0.1318","","","0.3771","0.3826","","","","","","1.754","","","","has coordinates,has disorder","190070","2020-10-21","18:00:00",""
"7226995","10.18976","0.0001","14.54422","0.00015","26.2201","0.0003","90","","99.5359","0.0011","90","","3832.18","0.07","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H38 Br2 N4 O4 S4 -","- C40 H38 Br2 N4 O4 S4 -","- C160 H152 Br8 N16 O16 S16 -","4","1","","Pop, Flavia; Lewis, William; Amabilino, David B.","Solid state supramolecular structure of diketopyrrolopyrrole chromophores: correlating stacking geometry with visible light absorption","CrystEngComm","2016","18","46","8933","","10.1039/C6CE02157C","","x-ray","1.54184","CuKα","","0.0345","0.0325","","","0.0959","0.0981","","","","","","1.06","","","","has coordinates,has disorder","190070","2020-10-21","18:00:00",""
"7226996","15.855","0.0002","5.37336","0.00005","16.575","0.0002","90","","112.663","0.0015","90","","1303.07","0.03","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H30 Br2 N2 O2 S2 -","- C26 H30 Br2 N2 O2 S2 -","- C52 H60 Br4 N4 O4 S4 -","2","0.5","","Pop, Flavia; Lewis, William; Amabilino, David B.","Solid state supramolecular structure of diketopyrrolopyrrole chromophores: correlating stacking geometry with visible light absorption","CrystEngComm","2016","18","46","8933","","10.1039/C6CE02157C","","x-ray","1.54184","CuKα","","0.0254","0.0248","","","0.0694","0.0699","","","","","","1.097","","","","has coordinates","190070","2020-10-21","18:00:00",""
"7226997","16.0248","0.0004","5.61472","0.00012","25.7171","0.0006","90","","106.106","0.003","90","","2223.07","0.1","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H28 N2 O2 S2 -","- C24 H28 N2 O2 S2 -","- C96 H112 N8 O8 S8 -","4","2","","Pop, Flavia; Lewis, William; Amabilino, David B.","Solid state supramolecular structure of diketopyrrolopyrrole chromophores: correlating stacking geometry with visible light absorption","CrystEngComm","2016","18","46","8933","","10.1039/C6CE02157C","","x-ray","1.54184","CuKα","","0.04","0.0362","","","0.0953","0.0982","","","","","","1.049","","","","has coordinates","190070","2020-10-21","18:00:00",""
"7227004","28.0134","0.0007","17.8914","0.0004","12.7629","0.0003","90","","90","","90","","6396.8","0.3","293","2","293","2","","","","","","","","7","C m c e","-C 2ac 2","64","","","","- C56 H36 Mg8 N4 Ni12 O89 P4 -","- C56 H36 Mg8 N4 Ni12 O89 P4 -","- C112 H72 Mg16 N8 Ni24 O178 P8 -","2","0.125","","Geng, Yong-Jie; Zhang, Ai-Qin; Wu, Kun-Xian; Xue, Dong-Xu; Liu, Zhi-Hong","A unique (3,10)-connected magnesium/nickel-based metal‒organic framework constructed from an unusual kgd supermolecular building layer via mixed linkers and solid solution approach","CrystEngComm","2016","18","43","8358","","10.1039/C6CE01629D","","","0.71073","MoKα","","0.0821","0.0778","","","0.1886","0.1899","","","","","","1.095","","","","has coordinates","187996","2020-10-21","18:00:00",""
"7227005","11.759","0.0007","11.759","0.0007","11.759","0.0007","90","","90","","90","","1625.96","0.17","113","2","113","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C12 H16 Co K N8 -","- C12 H16.0032 Co K N8 -","- C48 H64.0128 Co4 K4 N32 -","4","0.0208333","","Qian, Kun; Shao, Feng; Yan, Zhihong; Pang, Jie; Chen, Xiaodong; Yang, Changxin","A perovskite-type cage compound as a temperature-triggered dielectric switchable material","CrystEngComm","2016","18","40","7671","","10.1039/C6CE01421F","","","0.71073","MoKα","","0.0285","0.0274","","","0.0808","0.0812","","","","","","1.018","","","","has coordinates","187997","2020-10-21","18:00:00",""
"7227006","11.8233","0.0015","11.8233","0.0015","11.8233","0.0015","90","","90","","90","","1652.8","0.4","293","2","293","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C12 H16 Co K N8 -","- C12.0008 H16.0032 Co K N8 -","- C48.0032 H64.0128 Co4 K4 N32 -","4","0.0833333","","Qian, Kun; Shao, Feng; Yan, Zhihong; Pang, Jie; Chen, Xiaodong; Yang, Changxin","A perovskite-type cage compound as a temperature-triggered dielectric switchable material","CrystEngComm","2016","18","40","7671","","10.1039/C6CE01421F","","","0.71073","MoKα","","0.0452","0.0405","","","0.1336","0.1353","","","","","","1.053","","","","has coordinates","187997","2020-10-21","18:00:00",""
"7227007","8.6301","0.0005","7.7579","0.0007","23.769","0.002","90","","98.599","0.004","90","","1573.5","0.2","150","2","150","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","(N,N'-Dibromo-5,5-dimethylhydantoin)(4-cyanopyridine)(1,2-dichloroethane)0.5","","- C12 H12 Br2 Cl N4 O2 -","- C12 H12 Br2 Cl N4 O2 -","- C48 H48 Br8 Cl4 N16 O8 -","4","0.5","","Nicolas, Irène; Jeannin, Olivier; Pichon, Delphine; Fourmigué, Marc","Dibromohydantoins as halogen bond (XB) donors: a route toward the introduction of chirality in halogen bonded systems","CrystEngComm","2016","18","48","9325","","10.1039/C6CE02175A","","x-ray","0.71073","MoKα","","0.0658","0.0536","","","0.1346","0.1428","","","","","","1.058","","","","has coordinates","190078","2020-10-21","18:00:00",""
"7227008","7.714","0.0004","8.0925","0.0004","9.1626","0.0004","64.045","0.003","81.55","0.004","85.532","0.004","508.65","0.04","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","(N,N'-Dibromo-5,5-dimethylhydantoin)2(pyrazine)","","- C7 H8 Br2 N3 O2 -","- C7 H8 Br2 N3 O2 -","- C14 H16 Br4 N6 O4 -","2","1","","Nicolas, Irène; Jeannin, Olivier; Pichon, Delphine; Fourmigué, Marc","Dibromohydantoins as halogen bond (XB) donors: a route toward the introduction of chirality in halogen bonded systems","CrystEngComm","2016","18","48","9325","","10.1039/C6CE02175A","","x-ray","0.71073","MoKα","","0.0357","0.0282","","","0.075","0.0775","","","","","","1.108","","","","has coordinates","190078","2020-10-21","18:00:00",""
"7227009","6.1692","0.0008","7.97","0.001","15.743","0.002","88.236","0.005","81.458","0.005","85.411","0.005","762.88","0.17","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","(N,N'-Dibromo-5,5-dimethylhydantoin)(methylisonicotinate)","","- C12 H13 Br2 N3 O4 -","- C12 H13 Br2 N3 O4 -","- C24 H26 Br4 N6 O8 -","2","1","","Nicolas, Irène; Jeannin, Olivier; Pichon, Delphine; Fourmigué, Marc","Dibromohydantoins as halogen bond (XB) donors: a route toward the introduction of chirality in halogen bonded systems","CrystEngComm","2016","18","48","9325","","10.1039/C6CE02175A","","x-ray","0.71073","MoKα","","0.072","0.0559","","","0.1645","0.1774","","","","","","1.035","","","","has coordinates,has disorder","190078","2020-10-21","18:00:00",""
"7227010","6.5779","0.0005","7.9462","0.0005","32.486","0.002","90","","90","","90","","1698","0.2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(N,N'-Dibromo-(S)-5-isobutylhydantoin)(methylisonicotinate)","","- C14 H17 Br2 N3 O4 -","- C14 H17 Br2 N3 O4 -","- C56 H68 Br8 N12 O16 -","4","1","","Nicolas, Irène; Jeannin, Olivier; Pichon, Delphine; Fourmigué, Marc","Dibromohydantoins as halogen bond (XB) donors: a route toward the introduction of chirality in halogen bonded systems","CrystEngComm","2016","18","48","9325","","10.1039/C6CE02175A","","x-ray","0.71073","MoKα","","0.0436","0.0313","","","0.0545","0.0574","","","","","","1.048","","","","has coordinates","190078","2020-10-21","18:00:00",""
"7227011","9.4108","0.0004","7.9826","0.0003","19.9558","0.001","90","","97.418","0.002","90","","1486.59","0.11","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","(N,N'-Dibromo-5,5-dimethylhydantoin)(4-trifluoromethylpyridine)","","- C11 H10 Br2 F3 N3 O2 -","- C11 H10 Br2 F3 N3 O2 -","- C44 H40 Br8 F12 N12 O8 -","4","1","","Nicolas, Irène; Jeannin, Olivier; Pichon, Delphine; Fourmigué, Marc","Dibromohydantoins as halogen bond (XB) donors: a route toward the introduction of chirality in halogen bonded systems","CrystEngComm","2016","18","48","9325","","10.1039/C6CE02175A","","x-ray","0.71073","MoKα","","0.0523","0.0339","","","0.0928","0.1177","","","","","","0.819","","","","has coordinates","190078","2020-10-21","18:00:00",""
"7227012","9.2276","0.0005","11.6453","0.0006","12.8446","0.0007","89.771","0.001","76.772","0.001","76.684","0.001","1305.78","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H26 Cu N4 O8 -","- C28 H26 Cu N4 O8 -","- C56 H52 Cu2 N8 O16 -","2","1","","Wang, Xiuli; Zhao, Jing; Le, Mao; Lin, Hongyan; Liu, Guocheng; Wang, Xiang","A series of bis(pyridyl)-bis(amide)-modulated metal-1,2-phenylenediacetate coordination polymers: construction and selective dye adsorption","CrystEngComm","2016","18","48","9316","","10.1039/C6CE01970F","","","0.71073","MoKα","","0.0379","0.0318","","","0.0832","0.0859","","","","","","1.019","","","","has coordinates","190079","2020-10-21","18:00:00",""
"7227013","9.0062","0.0006","19.4623","0.0014","16.0701","0.0012","90","","94.442","0.001","90","","2808.3","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 Cu N4 O8 -","- C28 H32 Cu N4 O8 -","- C112 H128 Cu4 N16 O32 -","4","1","","Wang, Xiuli; Zhao, Jing; Le, Mao; Lin, Hongyan; Liu, Guocheng; Wang, Xiang","A series of bis(pyridyl)-bis(amide)-modulated metal-1,2-phenylenediacetate coordination polymers: construction and selective dye adsorption","CrystEngComm","2016","18","48","9316","","10.1039/C6CE01970F","","","0.71073","MoKα","","0.084","0.0509","","","0.116","0.1306","","","","","","1.02","","","","has coordinates","190079","2020-10-21","18:00:00",""
"7227014","18.447","0.0002","21.014","0.0003","28.775","0.0004","90","","90","","90","","11154.5","0.3","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C56 H58 N8 Ni2 O13 -","- C56 H58 N8 Ni2 O13 -","- C448 H464 N64 Ni16 O104 -","8","1","","Wang, Xiuli; Zhao, Jing; Le, Mao; Lin, Hongyan; Liu, Guocheng; Wang, Xiang","A series of bis(pyridyl)-bis(amide)-modulated metal-1,2-phenylenediacetate coordination polymers: construction and selective dye adsorption","CrystEngComm","2016","18","48","9316","","10.1039/C6CE01970F","","","0.71073","MoKα","","0.1024","0.0541","","","0.1084","0.124","","","","","","1","","","","has coordinates","190079","2020-10-21","18:00:00",""
"7227015","5.7315","0.0019","8.915","0.003","18.554","0.006","76.76","0.006","81.312","0.006","82.111","0.006","907","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H34 Cu3 N4 O12 -","- C36 H34 Cu3 N4 O12 -","- C36 H34 Cu3 N4 O12 -","1","0.5","","Wang, Xiuli; Zhao, Jing; Le, Mao; Lin, Hongyan; Liu, Guocheng; Wang, Xiang","A series of bis(pyridyl)-bis(amide)-modulated metal-1,2-phenylenediacetate coordination polymers: construction and selective dye adsorption","CrystEngComm","2016","18","48","9316","","10.1039/C6CE01970F","","","0.71073","MoKα","","0.1066","0.0855","","","0.2207","0.2399","","","","","","1.019","","","","has coordinates","190079","2020-10-21","18:00:00",""
"7227016","16.4579","0.0008","7.6329","0.0003","15.1328","0.0007","90","","115.053","0.001","90","","1722.15","0.13","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Co N2 O6 -","- C18 H18 Co N2 O6 -","- C72 H72 Co4 N8 O24 -","4","1","","Wang, Xiuli; Zhao, Jing; Le, Mao; Lin, Hongyan; Liu, Guocheng; Wang, Xiang","A series of bis(pyridyl)-bis(amide)-modulated metal-1,2-phenylenediacetate coordination polymers: construction and selective dye adsorption","CrystEngComm","2016","18","48","9316","","10.1039/C6CE01970F","","","0.71073","MoKα","","0.0297","0.0269","","","0.0781","0.0799","","","","","","1.048","","","","has coordinates","190079","2020-10-21","18:00:00",""
"7227029","14.042","0.009","18.453","0.011","17.33","0.011","90","","110.124","0.007","90","","4216","5","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C24 H15 Br3 Cu3 O15 -","- C24 H15 Br3 Cu3 O15 -","- C96 H60 Br12 Cu12 O60 -","4","0.5","","Cheng, Fujun; Wang, Haijun; Hua, Yinying; Cao, Haifei; Zhou, Bihang; Duan, Jingui; Jin, Wanqin","Halogen bonded supramolecular porous structures with a kgm layer","CrystEngComm","2016","18","48","9227","","10.1039/C6CE02247B","","","0.71073","MoKα","","0.1629","0.0869","","","0.1753","0.1925","","","","","","1.022","","","","has coordinates","190073","2020-10-21","18:00:00",""
"7227043","7.5189","0.0007","8.8078","0.0007","13.135","0.001","87.752","0.006","89.74","0.007","80.065","0.007","856.16","0.12","130","2","130.01","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C22 H14 N5 -","- C22 H14 N5 -","- C44 H28 N10 -","2","1","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the radical anions of TCNQ and F4TCNQ","CrystEngComm","2016","18","46","8906","","10.1039/C6CE02015A","","","1.5418","CuKα","","0.0722","0.0619","","","0.1713","0.1793","","","","","","1.031","","","","has coordinates","190067","2020-10-21","18:00:00",""
"7227044","8.3571","0.0003","15.9841","0.0005","12.6113","0.0005","90","","93.225","0.003","90","","1681.96","0.1","130","2","130.01","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 N5 -","- C22 H14 N5 -","- C88 H56 N20 -","4","1","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the radical anions of TCNQ and F4TCNQ","CrystEngComm","2016","18","46","8906","","10.1039/C6CE02015A","","","1.5418","CuKα","","0.0494","0.0403","","","0.1095","0.1174","","","","","","1.07","","","","has coordinates","190067","2020-10-21","18:00:00",""
"7227045","11.9675","0.0003","10.4959","0.0003","14.5659","0.0003","90","","92.307","0.002","90","","1828.14","0.08","130","2","130","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H10 F4 N5 -","- C22 H10 F4 N5 -","- C88 H40 F16 N20 -","4","1","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the radical anions of TCNQ and F4TCNQ","CrystEngComm","2016","18","46","8906","","10.1039/C6CE02015A","","","1.5418","CuKα","","0.0721","0.0646","","","0.1812","0.1891","","","","","","1.085","","","","has coordinates","190067","2020-10-21","18:00:00",""
"7227046","7.1083","0.0002","25.3703","0.0005","12.9159","0.0003","90","","100.474","0.002","90","","2290.44","0.1","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H21 F4 N6 O2 -","- C25 H21 F4 N6 O2 -","- C100 H84 F16 N24 O8 -","4","1","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the radical anions of TCNQ and F4TCNQ","CrystEngComm","2016","18","46","8906","","10.1039/C6CE02015A","","","1.54184","CuKα","","0.0417","0.0338","","","0.085","0.0902","","","","","","1.028","","","","has coordinates","190067","2020-10-21","18:00:00",""
"7227047","7.088","0.0003","12.1413","0.0006","13.3964","0.0007","110.968","0.005","93.792","0.004","103.933","0.004","1029.99","0.1","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H17 N6 O2 -","- C25 H17 N6 O2 -","- C50 H34 N12 O4 -","2","1","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the radical anions of TCNQ and F4TCNQ","CrystEngComm","2016","18","46","8906","","10.1039/C6CE02015A","","","1.5418","CuKα","","0.0476","0.0444","","","0.1229","0.1263","","","","","","1.056","","","","has coordinates","190067","2020-10-21","18:00:00",""
"7227048","7.3694","0.0003","11.4503","0.0005","14.4977","0.0008","66.999","0.004","82.796","0.004","88.216","0.003","1116.98","0.1","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H25 N6 O2 -","- C25 H25 N6 O2 -","- C50 H50 N12 O4 -","2","1","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the radical anions of TCNQ and F4TCNQ","CrystEngComm","2016","18","46","8906","","10.1039/C6CE02015A","","","1.5418","CuKα","","0.0579","0.0497","","","0.1527","0.1572","","","","","","1.122","","","","has coordinates","190067","2020-10-21","18:00:00",""
"7227049","7.8219","0.0004","12.454","0.0005","13.5137","0.0006","117.204","0.004","90.126","0.004","104.916","0.005","1120.3","0.1","130","2","130","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C26 H23 N6 O3 -","- C26 H23 N6 O2.995 -","- C52 H46 N12 O5.99 -","2","1","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the radical anions of TCNQ and F4TCNQ","CrystEngComm","2016","18","46","8906","","10.1039/C6CE02015A","","","1.5418","CuKα","","0.0643","0.0547","","","0.1385","0.1457","","","","","","1.083","","","","has coordinates,has disorder","190067","2020-10-21","18:00:00",""
"7227050","7.3613","0.0002","37.7897","0.0007","7.9918","0.0002","90","","115.71","0.004","90","","2003.08","0.11","130","2","130","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C24 H15 N6 O2 -","- C24 H15 N6 O2 -","- C96 H60 N24 O8 -","4","1","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the radical anions of TCNQ and F4TCNQ","CrystEngComm","2016","18","46","8906","","10.1039/C6CE02015A","","","1.5418","CuKα","","0.0455","0.0382","","","0.0957","0.1004","","","","","","1.1","","","","has coordinates","190067","2020-10-21","18:00:00",""
"7227051","9.6649","0.0003","7.056","0.0002","16.1763","0.0006","90","","96.103","0.003","90","","1096.9","0.06","130","2","130","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C26 H23 N6 -","- C26 H23 N6 -","- C52 H46 N12 -","2","0.5","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the radical anions of TCNQ and F4TCNQ","CrystEngComm","2016","18","46","8906","","10.1039/C6CE02015A","","","1.5418","CuKα","","0.063","0.0563","","","0.1452","0.1568","","","","","","1.062","","","","has coordinates","190067","2020-10-21","18:00:00",""
"7227052","6.6808","0.0002","13.9762","0.0005","18.9142","0.0007","96.805","0.003","100.163","0.003","95.734","0.003","1712.87","0.1","130","2","130","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H28 N12 -","- C40 H28 N12 -","- C80 H56 N24 -","2","1","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the radical anions of TCNQ and F4TCNQ","CrystEngComm","2016","18","46","8906","","10.1039/C6CE02015A","","","1.54184","CuKα","","0.0428","0.0344","","","0.0915","0.0964","","","","","","1.052","","","","has coordinates","190067","2020-10-21","18:00:00",""
"7227053","7.1455","0.0004","9.884","0.0007","16.27","0.0009","82.795","0.005","89.046","0.005","82.02","0.006","1128.97","0.12","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H19 F4 N6 -","- C26 H19 F4 N6 -","- C52 H38 F8 N12 -","2","1","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the radical anions of TCNQ and F4TCNQ","CrystEngComm","2016","18","46","8906","","10.1039/C6CE02015A","","","1.5418","CuKα","","0.0973","0.0781","","","0.2886","0.3038","","","","","","1.245","","","","has coordinates","190067","2020-10-21","18:00:00",""
"7227054","7.7053","0.0005","10.2744","0.0007","12.1391","0.0009","90.196","0.006","97.753","0.006","97.1","0.006","944.74","0.11","130","2","130.01","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C50 H30 N10 -","- C50 H30 N10 -","- C50 H30 N10 -","1","0.5","","Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.","Structural and optical investigations of charge transfer complexes involving the radical anions of TCNQ and F4TCNQ","CrystEngComm","2016","18","46","8906","","10.1039/C6CE02015A","","","1.5418","CuKα","","0.0594","0.046","","","0.1203","0.1313","","","","","","1.01","","","","has coordinates","190067","2020-10-21","18:00:00",""
"7227055","13.555","0.0014","26.637","0.003","28.386","0.003","90","","99.374","0.002","90","","10112.3","1.9","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C96 H71.5 Co5 N25.5 O14.5 -","- C96 H66 Co5 N24 O6 -","- C384 H264 Co20 N96 O24 -","4","1","","Feng, S. S.; Zheng, J. F.; Lu, L. P.; Lu, H. G.; Gao, Z. Q.; Dong, Y. H.","Metal-responsive activation of C‒O and C‒C bonds of an aromatic vicinal diol in hydrothermal conditions: synthesis, structure, mechanism and magnetic properties","CrystEngComm","2016","18","47","9077","","10.1039/C6CE01708H","","","0.71073","MoKα","","0.2395","0.0637","","","0.1295","0.1641","","","","","","0.642","","","","has coordinates","190096","2020-10-21","18:00:00",""
"7227056","41.0956","0.0015","24.8982","0.0009","28.2361","0.0011","90","","104.629","0.002","90","","27954.7","1.8","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C102 H87 Br4 Co5 N26 O11.5 -","- C102 H80 Br4 Co5 N26 O8 -","- C816 H640 Br32 Co40 N208 O64 -","8","1","","Feng, S. S.; Zheng, J. F.; Lu, L. P.; Lu, H. G.; Gao, Z. Q.; Dong, Y. H.","Metal-responsive activation of C‒O and C‒C bonds of an aromatic vicinal diol in hydrothermal conditions: synthesis, structure, mechanism and magnetic properties","CrystEngComm","2016","18","47","9077","","10.1039/C6CE01708H","","","0.71073","MoKα","","0.2717","0.11","","","0.261","0.3578","","","","","","0.96","","","","has coordinates","190096","2020-10-21","18:00:00",""
"7227057","13.241","0.003","26.889","0.005","28.423","0.006","90","","101.13","0.03","90","","9929","4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C97 H73 Cl Co5 N24 O12 -","- C96 H66 Co5 N24 O6 -","- C384 H264 Co20 N96 O24 -","4","1","","Feng, S. S.; Zheng, J. F.; Lu, L. P.; Lu, H. G.; Gao, Z. Q.; Dong, Y. H.","Metal-responsive activation of C‒O and C‒C bonds of an aromatic vicinal diol in hydrothermal conditions: synthesis, structure, mechanism and magnetic properties","CrystEngComm","2016","18","47","9077","","10.1039/C6CE01708H","","","0.72","synchrotron","","0.0946","0.0693","","","0.2013","0.2236","","","","","","1.065","","","","has coordinates","190096","2020-10-21","18:00:00",""
"7227058","12.9691","0.0011","26.539","0.002","29.04","0.002","90","","104.905","0.007","90","","9658.9","1.3","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C96 H72 Cl4 Fe2 N24 O9 Zn3 -","- C96 H66 Cl4 Fe2 N24 O6 Zn3 -","- C384 H264 Cl16 Fe8 N96 O24 Zn12 -","4","1","","Feng, S. S.; Zheng, J. F.; Lu, L. P.; Lu, H. G.; Gao, Z. Q.; Dong, Y. H.","Metal-responsive activation of C‒O and C‒C bonds of an aromatic vicinal diol in hydrothermal conditions: synthesis, structure, mechanism and magnetic properties","CrystEngComm","2016","18","47","9077","","10.1039/C6CE01708H","","","0.71073","MoKα","","0.3355","0.1192","","","0.2639","0.3849","","","","","","0.963","","","","has coordinates","190096","2020-10-21","18:00:00",""
"7227059","10.9907","0.0011","14.3055","0.0015","18.0914","0.0019","72.806","0.006","87.022","0.006","72.711","0.006","2592.6","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H41 Br4 Cl Cu N10 O2 -","- C37 H35 Br4 Cl Cu N10 -","- C74 H70 Br8 Cl2 Cu2 N20 -","2","1","","Feng, S. S.; Zheng, J. F.; Lu, L. P.; Lu, H. G.; Gao, Z. Q.; Dong, Y. H.","Metal-responsive activation of C‒O and C‒C bonds of an aromatic vicinal diol in hydrothermal conditions: synthesis, structure, mechanism and magnetic properties","CrystEngComm","2016","18","47","9077","","10.1039/C6CE01708H","","","0.71073","MoKα","","0.2313","0.1057","","","0.2536","0.3193","","","","","","0.982","","","","has coordinates","190096","2020-10-21","18:00:00",""
"7227060","15.327","0.003","15.327","0.003","25.887","0.005","90","","90","","90","","6081","2","100","2","100","2","","","","","","","","6","P 4/n c c","-P 4a 2ac","130","","","","- C57 H49 Cl Cu2 N18 O8 -","- C56 H48 Cl Cu2 N18 O6 -","- C224 H192 Cl4 Cu8 N72 O24 -","4","","","Feng, S. S.; Zheng, J. F.; Lu, L. P.; Lu, H. G.; Gao, Z. Q.; Dong, Y. H.","Metal-responsive activation of C‒O and C‒C bonds of an aromatic vicinal diol in hydrothermal conditions: synthesis, structure, mechanism and magnetic properties","CrystEngComm","2016","18","47","9077","","10.1039/C6CE01708H","","","0.72","synchrotron","","0.1662","0.1543","","","0.3389","0.3501","","","","","","1.678","","","","has coordinates","190096","2020-10-21","18:00:00",""
"7227061","21.5317","0.0007","9.9017","0.0003","16.3749","0.0005","90","","90","","90","","3491.14","0.19","90","2","90","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C23 H42 Eu Mo N12 O7 -","- C23 H42 Eu Mo N12 O7 -","- C92 H168 Eu4 Mo4 N48 O28 -","4","1","","Komine, Masaya; Chorazy, Szymon; Imoto, Kenta; Nakabayashi, Koji; Ohkoshi, Shin-ichi","SHG-active LnIII‒[MoI(CN)5(NO)]3− (Ln = Gd, Eu) magnetic coordination chains: a new route towards non-centrosymmetric molecule-based magnets","CrystEngComm","2017","19","1","18","","10.1039/C6CE02214F","","x-ray","0.71075","MoKα","","0.0475","0.0451","","","0.09","0.0932","","","","","","1.123","","","","has coordinates","191578","2020-10-21","18:00:00",""
"7227062","21.4968","0.0012","9.8959","0.0005","16.3664","0.0008","90","","90","","90","","3481.6","0.3","90","2","90","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C23 H42 Gd Mo N12 O7 -","- C23 H42 Gd Mo N12 O7 -","- C92 H168 Gd4 Mo4 N48 O28 -","4","1","","Komine, Masaya; Chorazy, Szymon; Imoto, Kenta; Nakabayashi, Koji; Ohkoshi, Shin-ichi","SHG-active LnIII‒[MoI(CN)5(NO)]3− (Ln = Gd, Eu) magnetic coordination chains: a new route towards non-centrosymmetric molecule-based magnets","CrystEngComm","2017","19","1","18","","10.1039/C6CE02214F","","x-ray","0.71075","MoKα","","0.0429","0.0405","","","0.0866","0.0886","","","","","","1.091","","","","has coordinates","191578","2020-10-21","18:00:00",""
"7227063","7.3884","0.0007","11.2382","0.001","14.808","0.0013","94.017","0.005","96.891","0.005","109.057","0.005","1145.92","0.18","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H18 N4 O9 -","- C24 H18 N4 O9 -","- C48 H36 N8 O18 -","2","1","","Tarai, Arup; Baruah, Jubaraj B.","Quaternary and senary sub-assemblies in cocrystals and salts of quinoline-4-carbaldoxime with aromatic carboxylic acids","CrystEngComm","2016","18","47","9095","","10.1039/C6CE02170K","","","0.71073","MoKα","","0.126","0.0515","","","0.1042","0.1284","","","","","","1","","","","has coordinates","190091","2020-10-21","18:00:00",""
"7227064","14.4119","0.0006","7.3071","0.0003","15.2855","0.0007","90","","106.646","0.003","90","","1542.25","0.12","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 N3 O5 -","- C17 H13 N3 O5 -","- C68 H52 N12 O20 -","4","1","","Tarai, Arup; Baruah, Jubaraj B.","Quaternary and senary sub-assemblies in cocrystals and salts of quinoline-4-carbaldoxime with aromatic carboxylic acids","CrystEngComm","2016","18","47","9095","","10.1039/C6CE02170K","","","0.71073","MoKα","","0.0707","0.0438","","","0.1166","0.135","","","","","","1.031","","","","has coordinates","190091","2020-10-21","18:00:00",""
"7227065","6.5509","0.0004","9.5558","0.0007","24.5384","0.0017","90","","91.662","0.004","90","","1535.44","0.18","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 N3 O5 -","- C17 H13 N3 O5 -","- C68 H52 N12 O20 -","4","1","","Tarai, Arup; Baruah, Jubaraj B.","Quaternary and senary sub-assemblies in cocrystals and salts of quinoline-4-carbaldoxime with aromatic carboxylic acids","CrystEngComm","2016","18","47","9095","","10.1039/C6CE02170K","","","0.71073","MoKα","","0.096","0.0553","","","0.1441","0.1713","","","","","","1.013","","","","has coordinates","190091","2020-10-21","18:00:00",""
"7227066","9.0241","0.0015","11.982","0.002","14.549","0.002","90","","107.874","0.019","90","","1497.2","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 N2 O4 -","- C17 H14 N2 O4 -","- C68 H56 N8 O16 -","4","1","","Tarai, Arup; Baruah, Jubaraj B.","Quaternary and senary sub-assemblies in cocrystals and salts of quinoline-4-carbaldoxime with aromatic carboxylic acids","CrystEngComm","2016","18","47","9095","","10.1039/C6CE02170K","","","0.71073","MoKα","","0.1722","0.0928","","","0.1547","0.1945","","","","","","1.063","","","","has coordinates","190091","2020-10-21","18:00:00",""
"7227067","3.9318","0.0005","11.7049","0.0015","16.914","0.002","99.084","0.008","94.248","0.008","94.176","0.008","763.7","0.17","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H16 N2 O3 -","- C18 H16 N2 O3 -","- C36 H32 N4 O6 -","2","1","","Tarai, Arup; Baruah, Jubaraj B.","Quaternary and senary sub-assemblies in cocrystals and salts of quinoline-4-carbaldoxime with aromatic carboxylic acids","CrystEngComm","2016","18","47","9095","","10.1039/C6CE02170K","","","0.71073","MoKα","","0.1602","0.0555","","","0.1151","0.1705","","","","","","1.022","","","","has coordinates","190091","2020-10-21","18:00:00",""
"7227068","16.7216","0.0018","10.9118","0.0011","18.807","0.002","90","","113.093","0.006","90","","3156.6","0.6","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H15 N2 O5.5 -","- C17 H15 N2 O5.5 -","- C136 H120 N16 O44 -","8","1","","Tarai, Arup; Baruah, Jubaraj B.","Quaternary and senary sub-assemblies in cocrystals and salts of quinoline-4-carbaldoxime with aromatic carboxylic acids","CrystEngComm","2016","18","47","9095","","10.1039/C6CE02170K","","","0.71073","MoKα","","0.0926","0.0514","","","0.1046","0.1204","","","","","","1.068","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7227069","14.9671","0.0009","7.0737","0.0004","15.0978","0.0009","90","","96.54","0.004","90","","1588.04","0.16","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 N2 O6 -","- C17 H16 N2 O6 -","- C68 H64 N8 O24 -","4","1","","Tarai, Arup; Baruah, Jubaraj B.","Quaternary and senary sub-assemblies in cocrystals and salts of quinoline-4-carbaldoxime with aromatic carboxylic acids","CrystEngComm","2016","18","47","9095","","10.1039/C6CE02170K","","","0.71073","MoKα","","0.1155","0.0541","","","0.1265","0.1535","","","","","","1.027","","","","has coordinates","190091","2020-10-21","18:00:00",""
"7227070","27.622","0.006","10.446","0.002","23.476","0.005","90","","107.661","0.003","90","","6454","2","113","2","113","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C49 H35 Br2 Cu F30 Gd N6 O14 -","- C49 H35 Br2 Cu F30 Gd N6 O14 -","- C196 H140 Br8 Cu4 F120 Gd4 N24 O56 -","4","0.5","","Yang, Meng; Sun, Juan; Guo, Jianni; Sun, Guifang; Li, Licun","Cu‒Ln compounds based on nitronyl nitroxide radicals: synthesis, structure, and magnetic and fluorescence properties","CrystEngComm","2016","18","48","9345","","10.1039/C6CE02049F","","","0.71073","MoKα","","0.0558","0.0494","","","0.1473","0.1551","","","","","","1.018","","","","has coordinates","190072","2020-10-21","18:00:00",""
"7227071","27.435","0.005","10.4861","0.0017","23.51","0.005","90","","107.52","0.004","90","","6450","2","113","2","113","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C49 H35 Br2 Cu Dy F30 N6 O14 -","- C49 H35 Br2 Cu Dy F30 N6 O14 -","- C196 H140 Br8 Cu4 Dy4 F120 N24 O56 -","4","0.5","","Yang, Meng; Sun, Juan; Guo, Jianni; Sun, Guifang; Li, Licun","Cu‒Ln compounds based on nitronyl nitroxide radicals: synthesis, structure, and magnetic and fluorescence properties","CrystEngComm","2016","18","48","9345","","10.1039/C6CE02049F","","","0.71073","MoKα","","0.0627","0.0498","","","0.1434","0.1524","","","","","","1.014","","","","has coordinates","190072","2020-10-21","18:00:00",""
"7227072","11.73","0.0008","14.9975","0.0013","16.8333","0.0013","82.081","0.005","71.866","0.004","79.621","0.005","2757.6","0.4","113","2","113","2","","","","","","","","8","P -1","-P 1","2","","","","- C37 H22 Br Cu F30 Gd N3 O13 -","- C37 H22 Br Cu F30 Gd N3 O13 -","- C74 H44 Br2 Cu2 F60 Gd2 N6 O26 -","2","1","","Yang, Meng; Sun, Juan; Guo, Jianni; Sun, Guifang; Li, Licun","Cu‒Ln compounds based on nitronyl nitroxide radicals: synthesis, structure, and magnetic and fluorescence properties","CrystEngComm","2016","18","48","9345","","10.1039/C6CE02049F","","","0.71073","MoKα","","0.0622","0.0499","","","0.1339","0.1475","","","","","","1.021","","","","has coordinates","190072","2020-10-21","18:00:00",""
"7227073","17.578","0.004","14.131","0.003","22.056","0.004","90","","106.7","0.03","90","","5248","2","113","2","113","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C37 H22 Br Cu Dy F30 N3 O13 -","- C37 H22 Br Cu Dy F30 N3 O13 -","- C148 H88 Br4 Cu4 Dy4 F120 N12 O52 -","4","1","","Yang, Meng; Sun, Juan; Guo, Jianni; Sun, Guifang; Li, Licun","Cu‒Ln compounds based on nitronyl nitroxide radicals: synthesis, structure, and magnetic and fluorescence properties","CrystEngComm","2016","18","48","9345","","10.1039/C6CE02049F","","","0.71073","MoKα","","0.0558","0.0465","","","0.1309","0.1391","","","","","","1.012","","","","has coordinates","190072","2020-10-21","18:00:00",""
"7227074","14.835","0.003","19.359","0.004","18.279","0.004","90","","100.87","0.03","90","","5155.4","1.9","113","2","113","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C37 H22 Br Cu F30 La N3 O13 -","- C37 H22 Br Cu F30 La N3 O13 -","- C148 H88 Br4 Cu4 F120 La4 N12 O52 -","4","1","","Yang, Meng; Sun, Juan; Guo, Jianni; Sun, Guifang; Li, Licun","Cu‒Ln compounds based on nitronyl nitroxide radicals: synthesis, structure, and magnetic and fluorescence properties","CrystEngComm","2016","18","48","9345","","10.1039/C6CE02049F","","","0.71073","MoKα","","0.0654","0.0485","","","0.1237","0.137","","","","","","1.005","","","","has coordinates","190072","2020-10-21","18:00:00",""
"7227075","14.802","0.002","19.305","0.002","18.193","0.002","90","","100.899","0.004","90","","5104.9","1","113","2","113","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C37 H22 Br Cu F30 N3 O13 Pr -","- C37 H22 Br Cu F30 N3 O13 Pr -","- C148 H88 Br4 Cu4 F120 N12 O52 Pr4 -","4","1","","Yang, Meng; Sun, Juan; Guo, Jianni; Sun, Guifang; Li, Licun","Cu–Ln compounds based on nitronyl nitroxide radicals: synthesis, structure, and magnetic and fluorescence properties","CrystEngComm","2016","18","48","9345","","10.1039/C6CE02049F","","","0.71073","MoKα","","0.0343","0.0268","","","0.071","0.0725","","","","","","1.02","","","","has coordinates","288245","2023-12-12","10:28:29",""
"7227076","27.231","0.006","10.521","0.002","23.519","0.005","90","","107.426","0.003","90","","6429","2","113","2","113","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C49 H35 Br2 Cu F30 N6 O14 Tb -","- C49 H35 Br2 Cu F30 N6 O14 Tb -","- C196 H140 Br8 Cu4 F120 N24 O56 Tb4 -","4","0.5","","Yang, Meng; Sun, Juan; Guo, Jianni; Sun, Guifang; Li, Licun","Cu‒Ln compounds based on nitronyl nitroxide radicals: synthesis, structure, and magnetic and fluorescence properties","CrystEngComm","2016","18","48","9345","","10.1039/C6CE02049F","","","0.71073","MoKα","","0.053","0.0467","","","0.1411","0.1489","","","","","","1.023","","","","has coordinates","190072","2020-10-21","18:00:00",""
"7227077","17.6067","0.0018","14.1422","0.001","22.0961","0.0017","90","","106.795","0.005","90","","5267.2","0.8","113","2","113","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C37 H22 Br Cu F30 N3 O13 Tb -","- C37 H22 Br Cu F30 N3 O13 Tb -","- C148 H88 Br4 Cu4 F120 N12 O52 Tb4 -","4","1","","Yang, Meng; Sun, Juan; Guo, Jianni; Sun, Guifang; Li, Licun","Cu‒Ln compounds based on nitronyl nitroxide radicals: synthesis, structure, and magnetic and fluorescence properties","CrystEngComm","2016","18","48","9345","","10.1039/C6CE02049F","","","0.71073","MoKα","","0.0388","0.0368","","","0.1258","0.1277","","","","","","1.019","","","","has coordinates","190072","2020-10-21","18:00:00",""
"7227098","17.5317","0.0012","17.5317","0.0012","15.757","0.002","90","","90","","90","","4843.1","0.8","296","2","296","2","","","","","","","","6","P 42/n m c :2","-P 4ac 2a","137","NJU-Bai18","","","- C17 H11 Cl Co N2 O2 -","- C17 H11 Cl Co N2 O2 -","- C136 H88 Cl8 Co8 N16 O16 -","8","0.5","","Liu, Huiyan; Meng, Fei; Lu, Zhiyong; Bai, Junfeng","A S4N4-like [Co4(μ-Cl)4] based metal‒organic framework with sum topology and selective CO2 uptake","CrystEngComm","2016","18","47","9003","","10.1039/C6CE02047J","","","0.71073","MoKα","","0.0526","0.0472","","","0.1633","0.1679","","","","","","1.061","","","","has coordinates,has disorder","190092","2020-10-21","18:00:00",""
"7227099","10.048","0.003","20.458","0.005","10.462","0.003","90","","92.797","0.005","90","","2148","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Mn N2 O8 -","- C24 H20 Mn N2 O8 -","- C96 H80 Mn4 N8 O32 -","4","1","","Hu, Lei; Lin, Xiao-Ming; Lin, Jia; Zhang, Ru-Qiao; Zhang, Da-Liang; Cai, Yue-Peng","Structural diversity of Mn(ii), Zn(ii) and Pb(ii) coordination polymers constructed from isomeric pyridylbenzoate N-oxide ligands: structures and electrochemical properties","CrystEngComm","2016","18","48","9307","","10.1039/C6CE02071B","","","0.71073","MoKα","","0.0862","0.059","","","0.129","0.149","","","","","","1.022","","","","has coordinates","190074","2020-10-21","18:00:00",""
"7227100","12.38","0.005","6.836","0.003","13.578","0.005","90","","114.624","0.007","90","","1044.6","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 N O4 Zn -","- C12 H8 N O4 Zn -","- C48 H32 N4 O16 Zn4 -","4","1","","Hu, Lei; Lin, Xiao-Ming; Lin, Jia; Zhang, Ru-Qiao; Zhang, Da-Liang; Cai, Yue-Peng","Structural diversity of Mn(ii), Zn(ii) and Pb(ii) coordination polymers constructed from isomeric pyridylbenzoate N-oxide ligands: structures and electrochemical properties","CrystEngComm","2016","18","48","9307","","10.1039/C6CE02071B","","","0.71073","MoKα","","0.1071","0.0597","","","0.1275","0.145","","","","","","1.094","","","","has coordinates","190074","2020-10-21","18:00:00",""
"7227101","15.864","0.002","10.2331","0.0014","8.453","0.0011","90","","93.405","0.002","90","","1369.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N2 O7 Pb -","- C12 H10 N2 O7 Pb -","- C48 H40 N8 O28 Pb4 -","4","1","","Hu, Lei; Lin, Xiao-Ming; Lin, Jia; Zhang, Ru-Qiao; Zhang, Da-Liang; Cai, Yue-Peng","Structural diversity of Mn(ii), Zn(ii) and Pb(ii) coordination polymers constructed from isomeric pyridylbenzoate N-oxide ligands: structures and electrochemical properties","CrystEngComm","2016","18","48","9307","","10.1039/C6CE02071B","","","0.71073","MoKα","","0.0587","0.0495","","","0.1439","0.1568","","","","","","1.014","","","","has coordinates","190074","2020-10-21","18:00:00",""
"7227102","13.412","0.003","15.726","0.003","12.078","0.003","90","","92.315","0.004","90","","2545.4","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H54 Mn3 N4 O26 -","- C50 H42 Mn3 N4 O26 -","- C100 H84 Mn6 N8 O52 -","2","0.5","","Hu, Lei; Lin, Xiao-Ming; Lin, Jia; Zhang, Ru-Qiao; Zhang, Da-Liang; Cai, Yue-Peng","Structural diversity of Mn(ii), Zn(ii) and Pb(ii) coordination polymers constructed from isomeric pyridylbenzoate N-oxide ligands: structures and electrochemical properties","CrystEngComm","2016","18","48","9307","","10.1039/C6CE02071B","","","0.71073","MoKα","","0.1313","0.0911","","","0.2806","0.323","","","","","","1.064","","","","has coordinates","190074","2020-10-21","18:00:00",""
"7227103","21.133","0.008","7.397","0.003","15.679","0.006","90","","118.019","0.007","90","","2163.7","1.5","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C24 H20 N2 O8 Zn -","- C24 H16 N2 O8 Zn -","- C96 H64 N8 O32 Zn4 -","4","1","","Hu, Lei; Lin, Xiao-Ming; Lin, Jia; Zhang, Ru-Qiao; Zhang, Da-Liang; Cai, Yue-Peng","Structural diversity of Mn(ii), Zn(ii) and Pb(ii) coordination polymers constructed from isomeric pyridylbenzoate N-oxide ligands: structures and electrochemical properties","CrystEngComm","2016","18","48","9307","","10.1039/C6CE02071B","","","0.71073","MoKα","","0.1168","0.0906","","","0.2572","0.2743","","","","","","1.068","","","","has coordinates","190074","2020-10-21","18:00:00",""
"7227104","20.213","0.005","17.232","0.005","7.666","0.002","90","","95.997","0.005","90","","2655.5","1.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 N2 O6 Pb -","- C24 H16 N2 O6 Pb -","- C96 H64 N8 O24 Pb4 -","4","1","","Hu, Lei; Lin, Xiao-Ming; Lin, Jia; Zhang, Ru-Qiao; Zhang, Da-Liang; Cai, Yue-Peng","Structural diversity of Mn(ii), Zn(ii) and Pb(ii) coordination polymers constructed from isomeric pyridylbenzoate N-oxide ligands: structures and electrochemical properties","CrystEngComm","2016","18","48","9307","","10.1039/C6CE02071B","","","0.71073","MoKα","","0.0597","0.0389","","","0.0902","0.0945","","","","","","1.064","","","","has coordinates","190074","2020-10-21","18:00:00",""
"7227120","31.654","0.002","9.7728","0.0007","37.31","0.002","90","","90","","90","","11541.8","1.3","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C59 H63 N3 O14 Zn2 -","- C54.36 H53.04 N2 O12.36 Zn2 -","- C434.88 H424.32 N16 O98.88 Zn16 -","8","1","","Martin, Adam D.; Easun, Timothy L.; Argent, Stephen P.; Lewis, William; Blake, Alexander J.; Schröder, Martin","The effect of carboxylate position on the structure of a metal organic framework derived from cyclotriveratrylene","CrystEngComm","2017","19","4","603","","10.1039/C6CE01965J","","x-ray","0.6889","","","0.2249","0.146","","","0.3889","0.4154","","","","","","1.208","","","","has coordinates,has disorder","191557","2020-10-21","18:00:00",""
"7227121","32.094","0.002","9.8357","0.0007","37.7628","0.0016","90","","90","","90","","11920.5","1.2","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C63 H72 Co2 N4 O15 -","- C55 H54 Co2 N2 O13 -","- C440 H432 Co16 N16 O104 -","8","1","","Martin, Adam D.; Easun, Timothy L.; Argent, Stephen P.; Lewis, William; Blake, Alexander J.; Schröder, Martin","The effect of carboxylate position on the structure of a metal organic framework derived from cyclotriveratrylene","CrystEngComm","2017","19","4","603","","10.1039/C6CE01965J","","","1.54184","CuKα","","0.1346","0.0836","","","0.2382","0.2812","","","","","","1.029","","","","has coordinates,has disorder","191557","2020-10-21","18:00:00",""
"7227122","23.7409","0.0014","23.9301","0.0014","31.1933","0.0016","68.75","0.005","88.214","0.004","60.764","0.006","14179","1.8","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C264 H331 N21 O62 Zn6 -","- C204 H189 N6 O47 Zn6 -","- C408 H378 N12 O94 Zn12 -","2","1","","Martin, Adam D.; Easun, Timothy L.; Argent, Stephen P.; Lewis, William; Blake, Alexander J.; Schröder, Martin","The effect of carboxylate position on the structure of a metal organic framework derived from cyclotriveratrylene","CrystEngComm","2017","19","4","603","","10.1039/C6CE01965J","","x-ray","0.6889","","","0.2211","0.1727","","","0.4367","0.4728","","","","","","1.484","","","","has coordinates","191557","2020-10-21","18:00:00",""
"7227123","16.923","0.003","4.7963","0.0007","9.884","0.0015","90","","101.424","0.005","90","","786.4","0.2","420","2","420","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H11 N O2 S -","- C5 H11 N O2 S -","- C20 H44 N4 O8 S4 -","4","1","","Smets, M. M. H.; Brugman, S. J. T.; van Eck, E. R. H.; Tinnemans, P.; Meekes, H.; Cuppen, H. M.","Understanding the single-crystal-to-single-crystal solid-state phase transition of dl-methionine","CrystEngComm","2016","18","48","9363","","10.1039/C6CE02079H","","","0.71073","MoKα","","0.0815","0.0723","","","0.2234","0.2377","","","","","","1.05","","","","has coordinates,has disorder","190075","2020-10-21","18:00:00",""
"7227124","16.894","0.002","4.7953","0.0006","9.8686","0.0013","90","","101.318","0.004","90","","783.93","0.17","338","2","338","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H11 N O2 S -","- C5 H11 N O2 S -","- C20 H44 N4 O8 S4 -","4","1","","Smets, M. M. H.; Brugman, S. J. T.; van Eck, E. R. H.; Tinnemans, P.; Meekes, H.; Cuppen, H. M.","Understanding the single-crystal-to-single-crystal solid-state phase transition of dl-methionine","CrystEngComm","2016","18","48","9363","","10.1039/C6CE02079H","","","0.71073","MoKα","","0.0773","0.0711","","","0.2252","0.2368","","","","","","1.055","","","","has coordinates,has disorder","190075","2020-10-21","18:00:00",""
"7227125","12.5078","0.0009","8.3906","0.0006","11.3259","0.0009","90","","116.232","0.004","90","","1066.21","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 F N2 -","- C13 H11 F N2 -","- C52 H44 F4 N8 -","4","1","","Dey, Dhananjay; Chopra, Deepak","Occurrence of 3D isostructurality in fluorinated phenyl benzamidines","CrystEngComm","2017","19","1","47","","10.1039/C6CE01924B","","","0.71073","MoKα","","0.0731","0.0494","","","0.125","0.1388","","","","","","1.073","","","","has coordinates,has disorder","191581","2020-10-21","18:00:00",""
"7227126","22.9004","0.0012","11.908","0.0006","8.2228","0.0005","90","","104.178","0.003","90","","2174","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H10 F2 N2 -","- C13 H10 F2 N2 -","- C104 H80 F16 N16 -","8","1","","Dey, Dhananjay; Chopra, Deepak","Occurrence of 3D isostructurality in fluorinated phenyl benzamidines","CrystEngComm","2017","19","1","47","","10.1039/C6CE01924B","","","0.71073","MoKα","","0.101","0.085","","","0.2131","0.2268","","","","","","1.107","","","","has coordinates,has disorder","191581","2020-10-21","18:00:00",""
"7227127","9.4875","0.0003","11.5929","0.0004","10.3365","0.0003","90","","93.915","0.002","90","","1134.23","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 F2 N2 -","- C13 H10 F2 N2 -","- C52 H40 F8 N8 -","4","1","","Dey, Dhananjay; Chopra, Deepak","Occurrence of 3D isostructurality in fluorinated phenyl benzamidines","CrystEngComm","2017","19","1","47","","10.1039/C6CE01924B","","","0.71073","MoKα","","0.0753","0.0574","","","0.1413","0.1511","","","","","","1.073","","","","has coordinates,has disorder","191581","2020-10-21","18:00:00",""
"7227128","9.6935","0.0003","10.9094","0.0003","10.3672","0.0003","90","","94.576","0.002","90","","1092.84","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 F2 N2 -","- C13 H10 F2 N2 -","- C52 H40 F8 N8 -","4","1","","Dey, Dhananjay; Chopra, Deepak","Occurrence of 3D isostructurality in fluorinated phenyl benzamidines","CrystEngComm","2017","19","1","47","","10.1039/C6CE01924B","","","0.71073","MoKα","","0.0433","0.038","","","0.0966","0.1003","","","","","","1.04","","","","has coordinates","191581","2020-10-21","18:00:00",""
"7227131","10.6305","0.0008","13.32","0.001","16.2613","0.0012","90","","107.408","0.004","90","","2197.1","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","KHC-053","","","- C20 H16 N2 O8 Zn2 -","- C20 H16 N2 O8 Zn2 -","- C80 H64 N8 O32 Zn8 -","4","1","","Kim, Hyun-Chul; Huh, Seong; Kim, Jin Yeong; Moon, Hoi Ri; Lee, Do Nam; Kim, Youngmee","Zn-MOFs containing flexible α,ω-alkane (or alkene)-dicarboxylates with 1,2-bis(4-pyridyl)ethylene: comparison with Zn-MOFs containing 1,2-bis(4-pyridyl)ethane ligands","CrystEngComm","2017","19","1","99","","10.1039/C6CE02122K","","","0.71073","","","0.1686","0.0739","","","0.1791","0.219","","","","","","0.985","","","","has coordinates,has disorder","191577","2020-10-21","18:00:00",""
"7227132","8.8979","0.0003","21.4587","0.0007","13.4851","0.0004","90","","96.7804","0.0016","90","","2556.8","0.14","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 N2 O4.5 Zn -","- C16 H12 N2 O4.5 Zn -","- C64 H48 N8 O18 Zn4 -","4","0.5","","Kim, Hyun-Chul; Huh, Seong; Kim, Jin Yeong; Moon, Hoi Ri; Lee, Do Nam; Kim, Youngmee","Zn-MOFs containing flexible α,ω-alkane (or alkene)-dicarboxylates with 1,2-bis(4-pyridyl)ethylene: comparison with Zn-MOFs containing 1,2-bis(4-pyridyl)ethane ligands","CrystEngComm","2017","19","1","99","","10.1039/C6CE02122K","","","0.71073","MoKα","","0.0596","0.0494","","","0.1399","0.145","","","","","","1.106","","","","has coordinates","191577","2020-10-21","18:00:00",""
"7227133","8.1425","0.0002","9.1496","0.0002","11.5118","0.0003","97.185","0.0016","96.2776","0.0017","102.745","0.0016","821.58","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","CIH065R","","","- C18 H18 N2 O4 Zn -","- C18 H18 N2 O4 Zn -","- C36 H36 N4 O8 Zn2 -","2","1","","Kim, Hyun-Chul; Huh, Seong; Kim, Jin Yeong; Moon, Hoi Ri; Lee, Do Nam; Kim, Youngmee","Zn-MOFs containing flexible α,ω-alkane (or alkene)-dicarboxylates with 1,2-bis(4-pyridyl)ethylene: comparison with Zn-MOFs containing 1,2-bis(4-pyridyl)ethane ligands","CrystEngComm","2017","19","1","99","","10.1039/C6CE02122K","","","0.71073","","","0.0892","0.065","","","0.1444","0.159","","","","","","1.041","","","","has coordinates","191577","2020-10-21","18:00:00",""
"7227134","12.396","0.003","13.262","0.003","15.772","0.003","90","","90","","90","","2592.8","1","296","2","296","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C18 H14 N2 O4 Zn -","- C18 H14 N2 O4 Zn -","- C72 H56 N8 O16 Zn4 -","4","0.5","","Kim, Hyun-Chul; Huh, Seong; Kim, Jin Yeong; Moon, Hoi Ri; Lee, Do Nam; Kim, Youngmee","Zn-MOFs containing flexible α,ω-alkane (or alkene)-dicarboxylates with 1,2-bis(4-pyridyl)ethylene: comparison with Zn-MOFs containing 1,2-bis(4-pyridyl)ethane ligands","CrystEngComm","2017","19","1","99","","10.1039/C6CE02122K","","","0.71073","MoKα","","0.2084","0.0753","","","0.1912","0.2263","","","","","","0.859","","","","has coordinates","191577","2020-10-21","18:00:00",""
"7227135","8.8583","0.0002","21.437","0.0005","13.5925","0.0003","90","","95.7932","0.0012","90","","2567.97","0.1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 N2 O4 Zn -","- C16 H12 N2 O4 Zn -","- C64 H48 N8 O16 Zn4 -","4","0.5","","Kim, Hyun-Chul; Huh, Seong; Kim, Jin Yeong; Moon, Hoi Ri; Lee, Do Nam; Kim, Youngmee","Zn-MOFs containing flexible α,ω-alkane (or alkene)-dicarboxylates with 1,2-bis(4-pyridyl)ethylene: comparison with Zn-MOFs containing 1,2-bis(4-pyridyl)ethane ligands","CrystEngComm","2017","19","1","99","","10.1039/C6CE02122K","","","0.71073","MoKα","","0.0549","0.0412","","","0.0899","0.0934","","","","","","1.137","","","","has coordinates","191577","2020-10-21","18:00:00",""
"7227136","12.471","0.003","13.306","0.003","15.711","0.003","90","","90","","90","","2607.1","1","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C18 H14 I0.1 N2 O4 Zn -","- C18 H14 I0.1 N2 O4 Zn -","- C72 H56 I0.4 N8 O16 Zn4 -","4","0.5","","Kim, Hyun-Chul; Huh, Seong; Kim, Jin Yeong; Moon, Hoi Ri; Lee, Do Nam; Kim, Youngmee","Zn-MOFs containing flexible α,ω-alkane (or alkene)-dicarboxylates with 1,2-bis(4-pyridyl)ethylene: comparison with Zn-MOFs containing 1,2-bis(4-pyridyl)ethane ligands","CrystEngComm","2017","19","1","99","","10.1039/C6CE02122K","","","0.71073","MoKα","","0.2318","0.0894","","","0.1491","0.2079","","","","","","1.051","","","","has coordinates","191577","2020-10-21","18:00:00",""
"7227139","12.5902","0.0005","13.8557","0.0006","7.0755","0.0003","90","","93.443","0.004","90","","1232.07","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 Co N O6 -","- C13 H11 Co N O6 -","- C52 H44 Co4 N4 O24 -","4","1","","Gu, Jin-Zhong; Liang, Xiao-Xiao; Cui, Yan-Hui; Wu, Jiang; Kirillov, Alexander M.","Exploring 4-(3-carboxyphenyl)picolinic acid as a semirigid building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2017","19","1","117","","10.1039/C6CE02115H","","","0.71073","MoKα","","0.0588","0.0411","","","0.0764","0.086","","","","","","1.06","","","","has coordinates","191579","2020-10-21","18:00:00",""
"7227140","11.4833","0.0008","12.8687","0.0006","15.1022","0.0008","90","","97.349","0.006","90","","2213.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 Co N3 O6 -","- C23 H19 Co N3 O6 -","- C92 H76 Co4 N12 O24 -","4","1","","Gu, Jin-Zhong; Liang, Xiao-Xiao; Cui, Yan-Hui; Wu, Jiang; Kirillov, Alexander M.","Exploring 4-(3-carboxyphenyl)picolinic acid as a semirigid building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2017","19","1","117","","10.1039/C6CE02115H","","","0.71073","MoKα","","0.0752","0.0478","","","0.0865","0.1006","","","","","","1.001","","","","has coordinates","191579","2020-10-21","18:00:00",""
"7227141","10.035","0.0003","11.632","0.0003","18.666","0.0006","90","","90","","90","","2178.83","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H17 Co N3 O5 -","- C25 H17 Co N3 O5 -","- C100 H68 Co4 N12 O20 -","4","1","","Gu, Jin-Zhong; Liang, Xiao-Xiao; Cui, Yan-Hui; Wu, Jiang; Kirillov, Alexander M.","Exploring 4-(3-carboxyphenyl)picolinic acid as a semirigid building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2017","19","1","117","","10.1039/C6CE02115H","","","0.71073","MoKα","","0.0501","0.0399","","","0.0798","0.0861","","","","","","1.012","","","","has coordinates","191579","2020-10-21","18:00:00",""
"7227142","12.5528","0.0007","14.2273","0.0007","7.1047","0.0004","90","","93.315","0.005","90","","1266.72","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 N2 Ni O12 -","- C26 H24 N2 Ni O12 -","- C52 H48 N4 Ni2 O24 -","2","0.5","","Gu, Jin-Zhong; Liang, Xiao-Xiao; Cui, Yan-Hui; Wu, Jiang; Kirillov, Alexander M.","Exploring 4-(3-carboxyphenyl)picolinic acid as a semirigid building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2017","19","1","117","","10.1039/C6CE02115H","","","0.71073","MoKα","","0.0799","0.0498","","","0.0831","0.0995","","","","","","1.072","","","","has coordinates","191579","2020-10-21","18:00:00",""
"7227143","12.5405","0.0004","13.8008","0.0004","7.0319","0.0003","90","","93.828","0.003","90","","1214.29","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 N Ni O6 -","- C13 H11 N Ni O6 -","- C52 H44 N4 Ni4 O24 -","4","1","","Gu, Jin-Zhong; Liang, Xiao-Xiao; Cui, Yan-Hui; Wu, Jiang; Kirillov, Alexander M.","Exploring 4-(3-carboxyphenyl)picolinic acid as a semirigid building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2017","19","1","117","","10.1039/C6CE02115H","","","0.71073","MoKα","","0.0475","0.0352","","","0.0753","0.0838","","","","","","1.065","","","","has coordinates","191579","2020-10-21","18:00:00",""
"7227144","12.523","0.004","14.22","0.003","7.0884","0.0019","90","","93.4","0.04","90","","1260.1","0.6","295.69","0.16","295.69","0.16","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 N2 O12 Zn -","- C26 H24 N2 O12 Zn -","- C52 H48 N4 O24 Zn2 -","2","0.5","","Gu, Jin-Zhong; Liang, Xiao-Xiao; Cui, Yan-Hui; Wu, Jiang; Kirillov, Alexander M.","Exploring 4-(3-carboxyphenyl)picolinic acid as a semirigid building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2017","19","1","117","","10.1039/C6CE02115H","","","0.71073","MoKα","","0.1023","0.0561","","","0.1206","0.1319","","","","","","0.927","","","","has coordinates","191579","2020-10-21","18:00:00",""
"7227145","9.0764","0.0014","16.0794","0.0016","13.913","0.003","90","","106.7","0.02","90","","1944.9","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H15 N3 O4 Zn -","- C23 H15 N3 O4 Zn -","- C92 H60 N12 O16 Zn4 -","4","1","","Gu, Jin-Zhong; Liang, Xiao-Xiao; Cui, Yan-Hui; Wu, Jiang; Kirillov, Alexander M.","Exploring 4-(3-carboxyphenyl)picolinic acid as a semirigid building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2017","19","1","117","","10.1039/C6CE02115H","","","0.71073","MoKα","","0.1595","0.0684","","","0.0781","0.1034","","","","","","1.003","","","","has coordinates","191579","2020-10-21","18:00:00",""
"7227146","10.0211","0.0005","11.6063","0.0008","18.7216","0.0011","90","","90","","90","","2177.5","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H17 N3 O5 Zn -","- C25 H17 N3 O5 Zn -","- C100 H68 N12 O20 Zn4 -","4","1","","Gu, Jin-Zhong; Liang, Xiao-Xiao; Cui, Yan-Hui; Wu, Jiang; Kirillov, Alexander M.","Exploring 4-(3-carboxyphenyl)picolinic acid as a semirigid building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2017","19","1","117","","10.1039/C6CE02115H","","","0.71073","MoKα","","0.0641","0.0464","","","0.0646","0.0745","","","","","","1.074","","","","has coordinates","191579","2020-10-21","18:00:00",""
"7227147","10.1184","0.0004","11.542","0.0004","18.8913","0.0009","90","","90","","90","","2206.25","0.16","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H17 Mn N3 O5 -","- C25 H17 Mn N3 O5 -","- C100 H68 Mn4 N12 O20 -","4","1","","Gu, Jin-Zhong; Liang, Xiao-Xiao; Cui, Yan-Hui; Wu, Jiang; Kirillov, Alexander M.","Exploring 4-(3-carboxyphenyl)picolinic acid as a semirigid building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2017","19","1","117","","10.1039/C6CE02115H","","","0.71073","MoKα","","0.0676","0.0471","","","0.0725","0.082","","","","","","1.013","","","","has coordinates","191579","2020-10-21","18:00:00",""
"7227148","10.0257","0.0003","11.6347","0.0006","18.6389","0.0005","90","","90","","90","","2174.15","0.14","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H17 Cu N3 O5 -","- C25 H17 Cu N3 O5 -","- C100 H68 Cu4 N12 O20 -","4","1","","Gu, Jin-Zhong; Liang, Xiao-Xiao; Cui, Yan-Hui; Wu, Jiang; Kirillov, Alexander M.","Exploring 4-(3-carboxyphenyl)picolinic acid as a semirigid building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2017","19","1","117","","10.1039/C6CE02115H","","","0.71073","MoKα","","0.0637","0.0522","","","0.1218","0.1327","","","","","","1.137","","","","has coordinates","191579","2020-10-21","18:00:00",""
"7227149","10.9405","0.0007","21.724","0.0017","23.897","0.0011","90","","91.988","0.005","90","","5676.2","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C63 H45 Cd3 N7 O16 -","- C63 H37 Cd3 N7 O16 -","- C252 H148 Cd12 N28 O64 -","4","1","","Gu, Jin-Zhong; Liang, Xiao-Xiao; Cui, Yan-Hui; Wu, Jiang; Kirillov, Alexander M.","Exploring 4-(3-carboxyphenyl)picolinic acid as a semirigid building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2017","19","1","117","","10.1039/C6CE02115H","","","0.71073","MoKα","","0.1722","0.0916","","","0.2109","0.2717","","","","","","1.023","","","","has coordinates","191579","2020-10-21","18:00:00",""
"7227152","13.3655","0.0009","17.7584","0.0011","21.054","0.0014","106.656","0.001","92.95","0.001","110.785","0.001","4410","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H82 Cl N16 O42 V16 Zn3.5 -","- C51 H70 Cl N16 O42 V16 Zn3.5 -","- C102 H140 Cl2 N32 O84 V32 Zn7 -","2","1","","Guo, Hai-Yang; Zhang, Ting-Ting; Lin, Po-Han; Xiao-Zhang, Xiao-Zhang; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","Preparation, structure and characterization of a series of vanadates","CrystEngComm","2017","19","2","265","","10.1039/C6CE02205G","","","0.71073","MoKα","","0.0989","0.0604","","","0.1546","0.1761","","","","","","1.051","","","","has coordinates","191545","2020-10-21","18:00:00",""
"7227153","14.989","0.002","14.989","0.002","28.467","0.006","90","","90","","120","","5538.8","1.6","293","2","293","2","","","","","","","","7","P 63/m","-P 6c","176","","","","- C54 H106 Cl N36 Ni3 O53 V15 -","- C54 H72 Cl N36 Ni3 O53.0001 V15 -","- C108 H144 Cl2 N72 Ni6 O106 V30 -","2","0.166667","","Guo, Hai-Yang; Zhang, Ting-Ting; Lin, Po-Han; Xiao-Zhang, Xiao-Zhang; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","Preparation, structure and characterization of a series of vanadates","CrystEngComm","2017","19","2","265","","10.1039/C6CE02205G","","","0.71073","MoKα","","0.0815","0.0625","","","0.1776","0.1928","","","","","","1.088","","","","has coordinates","191545","2020-10-21","18:00:00",""
"7227154","22.904","0.003","13.0032","0.0012","25.754","0.002","90","","95.05","0.002","90","","7640.4","1.4","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H62 N12 O34 V10 Zn2 -","- C60 H48 N12 O34 V10 Zn2 -","- C240 H192 N48 O136 V40 Zn8 -","4","0.5","","Guo, Hai-Yang; Zhang, Ting-Ting; Lin, Po-Han; Xiao-Zhang, Xiao-Zhang; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","Preparation, structure and characterization of a series of vanadates","CrystEngComm","2017","19","2","265","","10.1039/C6CE02205G","","","0.71073","MoKα","","0.0874","0.0491","","","0.1182","0.1363","","","","","","1.044","","","","has coordinates","191545","2020-10-21","18:00:00",""
"7227155","12.18","0.0007","13.5592","0.0008","13.8287","0.0007","85.204","0.004","65.431","0.005","75.508","0.005","2010.4","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H72 N12 Ni2 O24 V4 -","- C72 H48 N12 Ni2 O24 V4 -","- C72 H48 N12 Ni2 O24 V4 -","1","0.5","","Guo, Hai-Yang; Zhang, Ting-Ting; Lin, Po-Han; Xiao-Zhang, Xiao-Zhang; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","Preparation, structure and characterization of a series of vanadates","CrystEngComm","2017","19","2","265","","10.1039/C6CE02205G","","","0.71073","MoKα","","0.0649","0.0518","","","0.1557","0.1682","","","","","","1.021","","","","has coordinates","191545","2020-10-21","18:00:00",""
"7227156","9.785","0.001","10.4737","0.001","14.8053","0.001","80.999","0.01","89.131","0.01","70.023","0.01","1407.3","0.2","120","","120","","","","100","","","","","5","P -1","-P 1","2","","","","- C26 H33 Cl2 N5 O5 -","- C26 H33 Cl2 N5 O5 -","- C52 H66 Cl4 N10 O10 -","2","1","","Tieger, Eszter; Kiss, Violetta; Pokol, György; Finta, Zoltán; Rohlíček, Jan; Skořepová, Eliška; Dušek, Michal","Rationalization of the formation and stability of bosutinib solvated forms","CrystEngComm","2016","18","48","9260","","10.1039/C6CE01834C","","","1.5418","CuKα","","0.0603","0.0467","","0.1177","0.1087","0.1176","","","","","","0.9712","","","","has coordinates","190076","2020-10-21","18:00:00",""
"7227157","14.6736","0.0006","14.8453","0.0005","15.2727","0.0006","90","","114.517","0.005","90","","3027","0.2","120","","120","","","","100","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H39 Cl2 N5 O4 -","- C30 H39 Cl2 N5 O4 -","- C120 H156 Cl8 N20 O16 -","4","1","","Tieger, Eszter; Kiss, Violetta; Pokol, György; Finta, Zoltán; Rohlíček, Jan; Skořepová, Eliška; Dušek, Michal","Rationalization of the formation and stability of bosutinib solvated forms","CrystEngComm","2016","18","48","9260","","10.1039/C6CE01834C","","","1.5418","CuKα","","0.0574","0.0488","","0.1306","0.1215","0.1305","","","","","","0.9782","","","","has coordinates","190076","2020-10-21","18:00:00",""
"7227158","9.1549","0.001","13.0427","0.001","15.0857","0.001","69.094","0.01","88.905","0.01","77.835","0.01","1641.8","0.3","120","","120","","","","100","","","","","5","P -1","-P 1","2","","","","- C26 H43 Cl2 N5 O10 -","- C26 H43 Cl2 N5 O10 -","- C52 H86 Cl4 N10 O20 -","2","1","","Tieger, Eszter; Kiss, Violetta; Pokol, György; Finta, Zoltán; Rohlíček, Jan; Skořepová, Eliška; Dušek, Michal","Rationalization of the formation and stability of bosutinib solvated forms","CrystEngComm","2016","18","48","9260","","10.1039/C6CE01834C","","","1.54184","CuKα","","0.0604","0.0492","","0.1367","0.1267","0.1367","","","","","","0.9762","","","","has coordinates","190076","2020-10-21","18:00:00",""
"7227159","10.3869","0.0004","10.6513","0.0004","14.8652","0.0005","104.472","0.003","97.659","0.003","91.287","0.003","1575.54","0.1","120","","120","","","","100","","","","","5","P -1","-P 1","2","","","","- C29 H41 Cl2 N5 O6 -","- C29 H41 Cl2 N5 O6 -","- C58 H82 Cl4 N10 O12 -","2","1","","Tieger, Eszter; Kiss, Violetta; Pokol, György; Finta, Zoltán; Rohlíček, Jan; Skořepová, Eliška; Dušek, Michal","Rationalization of the formation and stability of bosutinib solvated forms","CrystEngComm","2016","18","48","9260","","10.1039/C6CE01834C","","","1.5418","CuKα","","0.0637","0.0536","","0.1525","0.138","0.1523","","","","","","0.9695","","","","has coordinates","190076","2020-10-21","18:00:00",""
"7227160","12.3231","0.001","13.9721","0.001","30.2678","0.001","90","","90","","90","","5211.5","0.6","120","","120","","","","100","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H31 Cl2 N5 O4 -","- C26 H31 Cl2 N5 O4 -","- C208 H248 Cl16 N40 O32 -","8","1","","Tieger, Eszter; Kiss, Violetta; Pokol, György; Finta, Zoltán; Rohlíček, Jan; Skořepová, Eliška; Dušek, Michal","Rationalization of the formation and stability of bosutinib solvated forms","CrystEngComm","2016","18","48","9260","","10.1039/C6CE01834C","","","1.5418","CuKα","","0.0446","0.0404","","0.0933","0.0913","0.0932","","","","","","0.9177","","","","has coordinates,has disorder","190076","2020-10-21","18:00:00",""
"7227161","10.6335","0.0002","14.8355","0.0003","22.083","0.0004","72.0962","0.0017","81.9476","0.0017","81.2892","0.0017","3260.49","0.11","120","","120","","","","100","","","","","6","P -1","-P 1","2","","","","- C28 H41 Cl2 N5 O7 S -","- C28 H41 Cl2 N5 O7 S -","- C112 H164 Cl8 N20 O28 S4 -","4","2","","Tieger, Eszter; Kiss, Violetta; Pokol, György; Finta, Zoltán; Rohlíček, Jan; Skořepová, Eliška; Dušek, Michal","Rationalization of the formation and stability of bosutinib solvated forms","CrystEngComm","2016","18","48","9260","","10.1039/C6CE01834C","","","1.5418","CuKα","","0.0606","0.0561","","0.152","0.1452","0.152","","","","","","0.9303","","","","has coordinates","190076","2020-10-21","18:00:00",""
"7227162","12.3214","0.0002","12.7934","0.0002","20.7918","0.0003","90","","102.051","0.0012","90","","3205.24","0.09","120","","120","","","","100","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H41 Cl2 N5 O9 -","- C26 H41 Cl2 N5 O9 -","- C104 H164 Cl8 N20 O36 -","4","1","","Tieger, Eszter; Kiss, Violetta; Pokol, György; Finta, Zoltán; Rohlíček, Jan; Skořepová, Eliška; Dušek, Michal","Rationalization of the formation and stability of bosutinib solvated forms","CrystEngComm","2016","18","48","9260","","10.1039/C6CE01834C","","","1.5418","CuKα","","0.0349","0.0312","","0.0797","0.0772","0.0797","","","","","","0.9744","","","","has coordinates","190076","2020-10-21","18:00:00",""
"7227163","10.294","0.001","11.1936","0.001","14.8961","0.001","107.974","0.01","98.064","0.01","90.706","0.01","1613.7","0.3","120","","120","","","","100","","","","","5","P -1","-P 1","2","","","","- C30 H41 Cl2 N5 O7 -","- C30 H41 Cl2 N5 O7 -","- C60 H82 Cl4 N10 O14 -","2","1","","Tieger, Eszter; Kiss, Violetta; Pokol, György; Finta, Zoltán; Rohlíček, Jan; Skořepová, Eliška; Dušek, Michal","Rationalization of the formation and stability of bosutinib solvated forms","CrystEngComm","2016","18","48","9260","","10.1039/C6CE01834C","","","1.5418","CuKα","","0.0447","0.0423","","0.1126","0.1102","0.1126","","","","","","0.9439","","","","has coordinates","190076","2020-10-21","18:00:00",""
"7227164","15.0423","0.001","11.6835","0.001","31.4491","0.001","90","","92.372","0.01","90","","5522.3","0.6","120","","120","","","","100","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H33 Cl2 N5 O4 -","- C27 H33 Cl2 N5 O4 -","- C216 H264 Cl16 N40 O32 -","8","2","","Tieger, Eszter; Kiss, Violetta; Pokol, György; Finta, Zoltán; Rohlíček, Jan; Skořepová, Eliška; Dušek, Michal","Rationalization of the formation and stability of bosutinib solvated forms","CrystEngComm","2016","18","48","9260","","10.1039/C6CE01834C","","","1.54184","CuKα","","0.102","0.0556","","0.151","0.1209","0.1507","","","","","","0.92","","","","has coordinates","190076","2020-10-21","18:00:00",""
"7227165","24.1866","0.0011","8.1122","0.0002","13.0215","0.0006","90","","91.868","0.003","90","","2553.55","0.18","293","","293","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Bosutinib anhydrate","","- C26 H29 Cl2 N5 O3 -","- C26 H29 Cl2 N5 O3 -","- C104 H116 Cl8 N20 O12 -","4","1","","Tieger, Eszter; Kiss, Violetta; Pokol, György; Finta, Zoltán; Rohlíček, Jan; Skořepová, Eliška; Dušek, Michal","Rationalization of the formation and stability of bosutinib solvated forms","CrystEngComm","2016","18","48","9260","","10.1039/C6CE01834C","powder diffraction","x-ray","1.5418","CuKα","","0.077","0.0766","","0.1022","0.1022","","","","3.88","","","","","","","has coordinates","190076","2020-10-21","18:00:00",""
"7227166","9.5877","0.0006","12.476","0.0012","12.9719","0.0007","80.606","0.004","77.792","0.004","71.174","0.004","1427.84","0.19","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 Cl2 N5 O4 -","- C26 H28 Cl2 N5 O4 -","- C52 H56 Cl4 N10 O8 -","2","1","","Tieger, Eszter; Kiss, Violetta; Pokol, György; Finta, Zoltán; Rohlíček, Jan; Skořepová, Eliška; Dušek, Michal","Rationalization of the formation and stability of bosutinib solvated forms","CrystEngComm","2016","18","48","9260","","10.1039/C6CE01834C","powder diffraction","x-ray","1.5418","CuKα","","0.0876","0.0841","","0.0769","0.0766","","","","1.93","","","","","","","has coordinates","190076","2020-10-21","18:00:00",""
"7227167","23.385","0.002","5.3635","0.0004","17.4866","0.0016","90","","110.455","0.01","90","","2055","0.3","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H20 N2 O4 -","- C28 H20 N2 O4 -","- C112 H80 N8 O16 -","4","0.5","","Calvo-Castro, Jesus; Maczka, Sebastian; Thomson, Connor; Morris, Graeme; Kennedy, Alan R.; McHugh, Callum J.","Twist and shout: a surprising synergy between aryl and N-substituents defines the computed charge transport properties in a series of crystalline diketopyrrolopyrroles","CrystEngComm","2016","18","48","9382","","10.1039/C6CE02261H","","","1.5418","CuKα","","0.0974","0.0508","","","0.1113","0.1346","","","","","","1.04","","","","has coordinates","190077","2020-10-21","18:00:00",""
"7227168","5.5724","0.0003","11.3414","0.0007","17.3547","0.0009","90","","96.822","0.005","90","","1089.03","0.11","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H20 N2 O2 S2 -","- C28 H20 N2 O2 S2 -","- C56 H40 N4 O4 S4 -","2","0.5","","Calvo-Castro, Jesus; Maczka, Sebastian; Thomson, Connor; Morris, Graeme; Kennedy, Alan R.; McHugh, Callum J.","Twist and shout: a surprising synergy between aryl and N-substituents defines the computed charge transport properties in a series of crystalline diketopyrrolopyrroles","CrystEngComm","2016","18","48","9382","","10.1039/C6CE02261H","","","1.5418","CuKα","","0.0692","0.0569","","","0.1514","0.1642","","","","","","1.077","","","","has coordinates","190077","2020-10-21","18:00:00",""
"7227173","11.2871","0.0003","11.6719","0.0004","25.6378","0.0006","82.855","0.002","79.874","0.002","63.094","0.003","2961.17","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H33 N4 O12 Y Zn -","- C24 H33 N4 O12 Y Zn -","- C96 H132 N16 O48 Y4 Zn4 -","4","2","","Zabala-Lekuona, A.; Cepeda, J.; Oyarzabal, I.; Rodríguez-Diéguez, A.; García, J. A.; Seco, J. M.; Colacio, E.","Rational design of triple-bridged dinuclear ZnIILnIII-based complexes: a structural, magnetic and luminescence study","CrystEngComm","2017","19","2","256","","10.1039/C6CE02240E","","","1.54184","CuKα","","0.0393","0.0341","","","0.0861","0.0905","","","","","","1.016","","","","has coordinates","191546","2020-10-21","18:00:00",""
"7227174","11.3119","0.0004","11.6798","0.0006","25.6158","0.001","82.889","0.004","79.959","0.003","62.936","0.004","2963.8","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H33 Dy N4 O12 Zn -","- C24 H33 Dy N4 O12 Zn -","- C96 H132 Dy4 N16 O48 Zn4 -","4","2","","Zabala-Lekuona, A.; Cepeda, J.; Oyarzabal, I.; Rodríguez-Diéguez, A.; García, J. A.; Seco, J. M.; Colacio, E.","Rational design of triple-bridged dinuclear ZnIILnIII-based complexes: a structural, magnetic and luminescence study","CrystEngComm","2017","19","2","256","","10.1039/C6CE02240E","","","1.54184","CuKα","","0.0373","0.0338","","","0.0825","0.0851","","","","","","1.031","","","","has coordinates,has disorder","191546","2020-10-21","18:00:00",""
"7227175","11.278","0.0004","11.665","0.0005","25.6084","0.0008","82.789","0.003","79.834","0.003","63.148","0.004","2954.5","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H33 Er N4 O12 Zn -","- C24 H33 Er N4 O12 Zn -","- C96 H132 Er4 N16 O48 Zn4 -","4","2","","Zabala-Lekuona, A.; Cepeda, J.; Oyarzabal, I.; Rodríguez-Diéguez, A.; García, J. A.; Seco, J. M.; Colacio, E.","Rational design of triple-bridged dinuclear ZnIILnIII-based complexes: a structural, magnetic and luminescence study","CrystEngComm","2017","19","2","256","","10.1039/C6CE02240E","","","0.71073","MoKα","","0.0313","0.0262","","","0.0536","0.056","","","","","","1.028","","","","has coordinates","191546","2020-10-21","18:00:00",""
"7227176","11.1639","0.0004","11.7254","0.0005","25.6988","0.0008","83.027","0.003","79.709","0.003","62.765","0.004","2939.9","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H33 N4 O12 Tm Zn -","- C24 H33 N4 O12 Tm Zn -","- C96 H132 N16 O48 Tm4 Zn4 -","4","2","","Zabala-Lekuona, A.; Cepeda, J.; Oyarzabal, I.; Rodríguez-Diéguez, A.; García, J. A.; Seco, J. M.; Colacio, E.","Rational design of triple-bridged dinuclear ZnIILnIII-based complexes: a structural, magnetic and luminescence study","CrystEngComm","2017","19","2","256","","10.1039/C6CE02240E","","","1.54184","CuKα","","0.036","0.0339","","","0.085","0.0865","","","","","","1.074","","","","has coordinates,has disorder","191546","2020-10-21","18:00:00",""
"7227179","18.5413","0.0003","3.77083","0.00007","18.5858","0.0003","90","","93.6727","0.0017","90","","1296.78","0.04","183","2","183","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C56 H56 N8 O16 -","8","2","","Nievergelt, Philipp P.; Spingler, Bernhard","Growing single crystals of small molecules by thermal recrystallization, a viable option even for minute amounts of material?","CrystEngComm","2017","19","1","142","","10.1039/C6CE02222G","","","0.71073","MoKα","","0.0614","0.0505","","","0.1313","0.1382","","","","","","1.091","","","","has coordinates","191575","2020-10-21","18:00:00",""
"7227180","7.49441","0.0001","11.0643","0.00014","13.8036","0.00015","90","","92.9142","0.0011","90","","1143.12","0.02","183","2","183","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C60 H48 N8 O4 -","4","1","","Nievergelt, Philipp P.; Spingler, Bernhard","Growing single crystals of small molecules by thermal recrystallization, a viable option even for minute amounts of material?","CrystEngComm","2017","19","1","142","","10.1039/C6CE02222G","","","0.71073","MoKα","","0.0549","0.0426","","","0.12","0.1312","","","","","","1.077","","","","has coordinates","191575","2020-10-21","18:00:00",""
"7227181","35.2832","0.0009","35.2832","0.0009","5.20165","0.00013","90","","90","","120","","5608","0.2","183","2","183","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C15 H12.33 N2 O1.17 -","- C15 H12 N2 O1.1667 -","- C270 H216 N36 O21.0006 -","18","1","","Nievergelt, Philipp P.; Spingler, Bernhard","Growing single crystals of small molecules by thermal recrystallization, a viable option even for minute amounts of material?","CrystEngComm","2017","19","1","142","","10.1039/C6CE02222G","","","1.54184","CuKα","","0.0506","0.0474","","","0.1566","0.1608","","","","","","1.09","","","","has coordinates","191575","2020-10-21","18:00:00",""
"7227182","12.732","0.0002","14.2382","0.0002","21.2459","0.0005","81.567","0.001","73.329","0.001","80.109","0.001","3615.35","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C67 H59 Cl3 Cu3 N12 O20 -","- C67 H55 Cl3 Cu3 N12 O20 -","- C134 H110 Cl6 Cu6 N24 O40 -","2","1","","Martínez-Benito, Carla; Pasán, Jorge; Martín, Tomás; Lago, Ana B.; Julve, Miguel; Ruiz-Pérez, Catalina","Tailor-made copper(ii) coordination polymers based on the C3 symmetric methanetriacetate as a ligand","CrystEngComm","2017","19","2","376","","10.1039/C6CE02351G","","","0.71073","MoKα","","0.1179","0.0626","","","0.1619","0.1934","","","","","","1.016","","","","has coordinates,has disorder","191552","2020-10-21","18:00:00",""
"7227183","13.1193","0.0005","14.2591","0.0006","14.4095","0.0005","60.4","0.004","86.909","0.003","83.559","0.003","2328.99","0.18","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C74 H106 Cl2 Cu4 N12 O42 -","- C74 H106 Cl2 Cu4 N12 O42 -","- C74 H106 Cl2 Cu4 N12 O42 -","1","0.5","","Martínez-Benito, Carla; Pasán, Jorge; Martín, Tomás; Lago, Ana B.; Julve, Miguel; Ruiz-Pérez, Catalina","Tailor-made copper(ii) coordination polymers based on the C3 symmetric methanetriacetate as a ligand","CrystEngComm","2017","19","2","376","","10.1039/C6CE02351G","","","1.54184","CuKα","","0.0498","0.0446","","","0.1203","0.1254","","","","","","1.037","","","","has coordinates","191552","2020-10-21","18:00:00",""
"7227184","8.3536","0.0003","10.032","0.0004","10.2798","0.0004","87.419","0.004","86.088","0.003","78.661","0.004","842.26","0.06","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C34 H33 Cu2 N4 O12.5 -","- C34 H32 Cu2 N4 O12.5 -","- C34 H32 Cu2 N4 O12.5 -","1","0.5","","Martínez-Benito, Carla; Pasán, Jorge; Martín, Tomás; Lago, Ana B.; Julve, Miguel; Ruiz-Pérez, Catalina","Tailor-made copper(ii) coordination polymers based on the C3 symmetric methanetriacetate as a ligand","CrystEngComm","2017","19","2","376","","10.1039/C6CE02351G","","","1.54184","CuKα","","0.0266","0.0257","","","0.0655","0.0662","","","","","","1.044","","","","has coordinates","191552","2020-10-21","18:00:00",""
"7227185","17.3178","0.0007","19.003","0.0003","25.7513","0.001","90","","136.335","0.007","90","","5851.1","0.8","150","0.2","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H52 Cl2 Cu4 N8 O23 -","- C54 H52 Cl2 Cu4 N8 O23 -","- C216 H208 Cl8 Cu16 N32 O92 -","4","1","","Martínez-Benito, Carla; Pasán, Jorge; Martín, Tomás; Lago, Ana B.; Julve, Miguel; Ruiz-Pérez, Catalina","Tailor-made copper(ii) coordination polymers based on the C3 symmetric methanetriacetate as a ligand","CrystEngComm","2017","19","2","376","","10.1039/C6CE02351G","","","1.54184","CuKα","","0.0372","0.0326","","","0.0869","0.0909","","","","","","1.031","","","","has coordinates,has disorder","191552","2020-10-21","18:00:00",""
"7227186","22.535","0.003","22.535","0.003","29.635","0.006","90","","90","","120","","13033","4","100","2","100","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C141 H167 Cu9 N21 O55 -","- C141 H135 Cu9 N21 O55 -","- C423 H405 Cu27 N63 O165 -","3","0.333333","","Martínez-Benito, Carla; Pasán, Jorge; Martín, Tomás; Lago, Ana B.; Julve, Miguel; Ruiz-Pérez, Catalina","Tailor-made copper(ii) coordination polymers based on the C3 symmetric methanetriacetate as a ligand","CrystEngComm","2017","19","2","376","","10.1039/C6CE02351G","","","0.7293","","","0.0668","0.0654","","","0.1803","0.1829","","","","","","1.059","","","","has coordinates","191552","2020-10-21","18:00:00",""
"7227187","23.6201","0.0004","23.6201","0.0004","13.6105","0.0003","90","","90","","120","","6576.1","0.2","293","2","293","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C172 H304 Cu12 N48 O150 -","- C172 H124 Cu12 N36 O48 -","- C172 H124 Cu12 N36 O48 -","1","0.0833333","","Martínez-Benito, Carla; Pasán, Jorge; Martín, Tomás; Lago, Ana B.; Julve, Miguel; Ruiz-Pérez, Catalina","Tailor-made copper(ii) coordination polymers based on the C3 symmetric methanetriacetate as a ligand","CrystEngComm","2017","19","2","376","","10.1039/C6CE02351G","","","1.54184","CuKα","","0.0361","0.034","","","0.0938","0.0958","","","","","","1.088","","","","has coordinates,has disorder","191552","2020-10-21","18:00:00",""
"7227190","6.87","0.0018","8.309","0.002","22.23","0.006","90","","90","","90","","1269","0.6","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","phellandrene anhydride","5-methyl-8-(propan-2-yl)hexahydro-4,7-ethano-2-benzofuran-1,3-dione","","- C14 H18 O3 -","- C14 H18 O3 -","- C56 H72 O12 -","4","1","","Jezowski, Sebastian R.; Monaco, Stephen; Yennawar, Hemant P.; Wonderling, Nichole M.; Mathers, Robert T.; Schatschneider, Bohdan","Unusual physical behaviour and polymorphic phase transitions in crystalline bicyclic anhydrides","CrystEngComm","2017","19","2","276","","10.1039/C6CE02036D","","","0.71073","MoKα","","0.0568","0.0453","","","0.1109","0.1179","","","","","","1.065","","","","has coordinates","191549","2020-10-21","18:00:00",""
"7227191","6.9562","0.0018","8.559","0.002","21.752","0.006","90","","90","","90","","1295.1","0.6","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","5-methyl-8-(propan-2-yl)-3a,4,7,7a-tetrahydro-4,7-ethano-2-benzofuran-1,3-dione","","- C14 H20 O3 -","- C14 H20 O3 -","- C56 H80 O12 -","4","1","","Jezowski, Sebastian R.; Monaco, Stephen; Yennawar, Hemant P.; Wonderling, Nichole M.; Mathers, Robert T.; Schatschneider, Bohdan","Unusual physical behaviour and polymorphic phase transitions in crystalline bicyclic anhydrides","CrystEngComm","2017","19","2","276","","10.1039/C6CE02036D","","","0.71073","MoKα","","0.0688","0.0496","","","0.1315","0.1413","","","","","","1.012","","","","has coordinates","191549","2020-10-21","18:00:00",""
"7227192","6.53","0.0015","10.411","0.002","12.121","0.003","90","","97.062","0.004","90","","817.8","0.3","203","2","203","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Bicyclo[2.2.2]oct-5-ene-2,3-dicarboxylic anhydride","","- C10 H10 O3 -","- C10 H10 O3 -","- C40 H40 O12 -","4","1","","Jezowski, Sebastian R.; Monaco, Stephen; Yennawar, Hemant P.; Wonderling, Nichole M.; Mathers, Robert T.; Schatschneider, Bohdan","Unusual physical behaviour and polymorphic phase transitions in crystalline bicyclic anhydrides","CrystEngComm","2017","19","2","276","","10.1039/C6CE02036D","","","0.71073","MoKα","","0.0535","0.0466","","","0.118","0.1233","","","","","","1.026","","","","has coordinates","191549","2020-10-21","18:00:00",""
"7227193","14.472","0.003","8.153","0.0017","14.494","0.003","90","","91.73","0.004","90","","1709.4","0.6","203","2","203","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Bicyclo[2.2.2]octane-2-endo,3-endo-dicarboxylic acid anhydride","","- C10 H12 O3 -","- C10 H12 O3 -","- C80 H96 O24 -","8","2","","Jezowski, Sebastian R.; Monaco, Stephen; Yennawar, Hemant P.; Wonderling, Nichole M.; Mathers, Robert T.; Schatschneider, Bohdan","Unusual physical behaviour and polymorphic phase transitions in crystalline bicyclic anhydrides","CrystEngComm","2017","19","2","276","","10.1039/C6CE02036D","","","0.71073","MoKα","","0.0697","0.0506","","","0.1247","0.1359","","","","","","1.026","","","","has coordinates","191549","2020-10-21","18:00:00",""
"7227194","13.453","0.003","5.8751","0.0012","17.417","0.004","90","","101.5","0.03","90","","1349","0.5","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 Cl N2 O2 -","- C14 H15 Cl N2 O2 -","- C56 H60 Cl4 N8 O8 -","4","1","","Lazić, Anita; Trišović, Nemanja; Radovanović, Lidija; Rogan, Jelena; Poleti, Dejan; Vitnik, Željko; Vitnik, Vesna; Ušćumlić, Gordana","Towards understanding intermolecular interactions in hydantoin derivatives: the case of cycloalkane-5-spirohydantoins tethered with a halogenated benzyl moiety","CrystEngComm","2017","19","3","469","","10.1039/C6CE02210C","","x-ray","0.71073","MoKα","","0.0657","0.0569","","","0.1231","0.1279","","","","","","1.107","","","","has coordinates","191564","2020-10-21","18:00:00",""
"7227195","13.622","0.003","5.926","0.0012","17.379","0.004","90","","101","0.03","90","","1377.1","0.5","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 Br N2 O2 -","- C14 H15 Br N2 O2 -","- C56 H60 Br4 N8 O8 -","4","1","","Lazić, Anita; Trišović, Nemanja; Radovanović, Lidija; Rogan, Jelena; Poleti, Dejan; Vitnik, Željko; Vitnik, Vesna; Ušćumlić, Gordana","Towards understanding intermolecular interactions in hydantoin derivatives: the case of cycloalkane-5-spirohydantoins tethered with a halogenated benzyl moiety","CrystEngComm","2017","19","3","469","","10.1039/C6CE02210C","","x-ray","0.71073","MoKα","","0.0553","0.0389","","","0.0833","0.0901","","","","","","1.023","","","","has coordinates","191564","2020-10-21","18:00:00",""
"7227196","13.287","0.003","5.9132","0.0012","18.536","0.004","90","","99.09","0.03","90","","1438.1","0.5","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 Cl N2 O2 -","- C15 H17 Cl N2 O2 -","- C60 H68 Cl4 N8 O8 -","4","1","","Lazić, Anita; Trišović, Nemanja; Radovanović, Lidija; Rogan, Jelena; Poleti, Dejan; Vitnik, Željko; Vitnik, Vesna; Ušćumlić, Gordana","Towards understanding intermolecular interactions in hydantoin derivatives: the case of cycloalkane-5-spirohydantoins tethered with a halogenated benzyl moiety","CrystEngComm","2017","19","3","469","","10.1039/C6CE02210C","","x-ray","0.71073","MoKα","","0.0597","0.0477","","","0.1109","0.1173","","","","","","1.071","","","","has coordinates","191564","2020-10-21","18:00:00",""
"7227197","13.505","0.003","5.9344","0.0012","18.587","0.004","90","","97.49","0.03","90","","1476.9","0.6","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 Br N2 O2 -","- C15 H17 Br N2 O2 -","- C60 H68 Br4 N8 O8 -","4","1","","Lazić, Anita; Trišović, Nemanja; Radovanović, Lidija; Rogan, Jelena; Poleti, Dejan; Vitnik, Željko; Vitnik, Vesna; Ušćumlić, Gordana","Towards understanding intermolecular interactions in hydantoin derivatives: the case of cycloalkane-5-spirohydantoins tethered with a halogenated benzyl moiety","CrystEngComm","2017","19","3","469","","10.1039/C6CE02210C","","x-ray","0.71073","MoKα","","0.0768","0.0686","","","0.154","0.163","","","","","","1.174","","","","has coordinates","191564","2020-10-21","18:00:00",""
"7227198","6.434","0.0013","13.594","0.003","18.649","0.004","72.12","0.03","84.92","0.03","84.41","0.03","1542","0.6","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H19 Cl N2 O2 -","- C16 H19 Cl N2 O2 -","- C64 H76 Cl4 N8 O8 -","4","2","","Lazić, Anita; Trišović, Nemanja; Radovanović, Lidija; Rogan, Jelena; Poleti, Dejan; Vitnik, Željko; Vitnik, Vesna; Ušćumlić, Gordana","Towards understanding intermolecular interactions in hydantoin derivatives: the case of cycloalkane-5-spirohydantoins tethered with a halogenated benzyl moiety","CrystEngComm","2017","19","3","469","","10.1039/C6CE02210C","","x-ray","0.71073","MoKα","","0.0807","0.0566","","","0.1236","0.1355","","","","","","1.049","","","","has coordinates","191564","2020-10-21","18:00:00",""
"7227199","6.4576","0.0013","13.713","0.003","18.624","0.004","72.03","0.03","84.97","0.03","84.93","0.03","1559.4","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H19 Br N2 O2 -","- C16 H19 Br N2 O2 -","- C64 H76 Br4 N8 O8 -","4","2","","Lazić, Anita; Trišović, Nemanja; Radovanović, Lidija; Rogan, Jelena; Poleti, Dejan; Vitnik, Željko; Vitnik, Vesna; Ušćumlić, Gordana","Towards understanding intermolecular interactions in hydantoin derivatives: the case of cycloalkane-5-spirohydantoins tethered with a halogenated benzyl moiety","CrystEngComm","2017","19","3","469","","10.1039/C6CE02210C","","x-ray","0.71073","MoKα","","0.069","0.0452","","","0.1222","0.1357","","","","","","1.068","","","","has coordinates","191564","2020-10-21","18:00:00",""
"7227200","12.8199","0.0009","12.8199","0.0009","32.617","0.004","90","","90","","90","","5360.6","0.8","293","2","293","2","","","","","","","","7","I 4 2 2","I 4 2","97","","","","- C54 H52 B2 Cu F7.97 N4 O4 -","- C54 H52 B2 Cu F7.931 N4 O4 -","- C216 H208 B8 Cu4 F31.724 N16 O16 -","4","0.25","","Mocanu, Teodora; Pop, Lidia; Hădade, Niculina D.; Shova, Sergiu; Grosu, Ion; Andruh, Marius","Coordination polymers constructed from tetrahedral-shaped adamantane tectons","CrystEngComm","2017","19","1","27","","10.1039/C6CE02146H","","x-ray","1.54184","CuKα","","0.1507","0.1033","","","0.2671","0.3199","","","","","","1.086","","","","has coordinates,has disorder","191576","2020-10-21","18:00:00",""
"7227201","11.645","0.005","11.645","0.005","52.7","0.005","90","0.005","90","0.005","90","0.005","7146","4","293","2","293","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C29 H16 F12 Mn N2 O4 -","- C29 H16 F12 Mn N2 O4 -","- C232 H128 F96 Mn8 N16 O32 -","8","","","Mocanu, Teodora; Pop, Lidia; Hădade, Niculina D.; Shova, Sergiu; Grosu, Ion; Andruh, Marius","Coordination polymers constructed from tetrahedral-shaped adamantane tectons","CrystEngComm","2017","19","1","27","","10.1039/C6CE02146H","","","0.71069","MoKα","","0.1674","0.0604","","","0.1342","0.1807","","","","","","0.885","","","","has coordinates","191576","2020-10-21","18:00:00",""
"7227202","23.729","0.003","24.75","0.003","16.918","0.002","90","","119.249","0.002","90","","8669","1.8","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H78 Mo12 N12 O61 Sb2 -","- C30 H44 Mo12 N12 O61 Sb2 -","- C120 H176 Mo48 N48 O244 Sb8 -","4","0.5","","Wang, Jin; Liang, Yanfen; Ma, Pengtao; Zhang, Dongdi; Niu, Jingyang; Wang, Jingping","Ligand-controlled formation of covalently modified antimoniomolybdates and their photochromic properties","CrystEngComm","2017","19","2","207","","10.1039/C6CE02343F","","","0.71073","MoKα","","0.042","0.0356","","","0.1018","0.1056","","","","","","1.049","","","","has coordinates","191548","2020-10-21","18:00:00",""
"7227203","11.2428","0.0007","13.9571","0.0009","19.478","0.0013","105.855","0.001","103.033","0.001","103.153","0.001","2724.7","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H96 Mo12 N12 O62 Sb2 -","- C30 H46 Mo12 N12 O62 Sb2 -","- C30 H46 Mo12 N12 O62 Sb2 -","1","0.5","","Wang, Jin; Liang, Yanfen; Ma, Pengtao; Zhang, Dongdi; Niu, Jingyang; Wang, Jingping","Ligand-controlled formation of covalently modified antimoniomolybdates and their photochromic properties","CrystEngComm","2017","19","2","207","","10.1039/C6CE02343F","","","0.71073","MoKα","","0.0777","0.0562","","","0.166","0.1804","","","","","","1.077","","","","has coordinates,has disorder","191548","2020-10-21","18:00:00",""
"7227204","36.2075","0.0012","36.2075","0.0012","36.2075","0.0012","90","","90","","90","","47467","3","296","2","296.15","","","","","","","","","6","F d -3 m","-F 4vw 2vw 3","227","","","","- C36 H124 Mo24 N24 O116 Sb4 -","- C36 H12 Mo24 O108 Sb4 -","- C288 H96 Mo192 O864 Sb32 -","8","","","Wang, Jin; Liang, Yanfen; Ma, Pengtao; Zhang, Dongdi; Niu, Jingyang; Wang, Jingping","Ligand-controlled formation of covalently modified antimoniomolybdates and their photochromic properties","CrystEngComm","2017","19","2","207","","10.1039/C6CE02343F","","","0.71073","MoKα","","0.0322","0.0273","","","0.0839","0.0875","","","","","","1.042","","","","has coordinates","191548","2020-10-21","18:00:00",""
"7227205","10.3655","0.001","11.8975","0.0012","18.6068","0.0018","76.136","0.002","80.465","0.002","84.056","0.002","2192.1","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H39 Mo6 N6 O30 Sb -","- C12 H9 Mo6 N6 O34 Sb -","- C24 H18 Mo12 N12 O68 Sb2 -","2","1","","Wang, Jin; Liang, Yanfen; Ma, Pengtao; Zhang, Dongdi; Niu, Jingyang; Wang, Jingping","Ligand-controlled formation of covalently modified antimoniomolybdates and their photochromic properties","CrystEngComm","2017","19","2","207","","10.1039/C6CE02343F","","","0.71073","MoKα","","0.0536","0.0449","","","0.1226","0.1274","","","","","","1.045","","","","has coordinates","191548","2020-10-21","18:00:00",""
"7227206","9.3202","0.001","10.5724","0.0012","14.7777","0.0016","88.561","0.002","85.685","0.002","81.729","0.002","1436.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Olanzapine-hydroquinone-toluene form II","","","- C30 H34 N4 O2 S -","- C30 H34 N4 O2 S -","- C60 H68 N8 O4 S2 -","2","1","","Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan","Designing a new cocrystal of olanzapine drug and observation of concomitant polymorphism in a ternary cocrystal system","CrystEngComm","2017","19","2","355","","10.1039/C6CE02227H","","","0.71073","MoKα","","0.0865","0.0611","","","0.1497","0.1644","","","","","","1.054","","","","has coordinates","191551","2020-10-21","18:00:00",""
"7227207","10.6675","0.0014","11.6121","0.0015","13.0639","0.0017","72.725","0.002","74.29","0.002","65.743","0.002","1388.1","0.3","294","2","294","2","","","","","","","","5","P -1","-P 1","2","Olanzapine-hydroquinone-toluene form I","","","- C30 H34 N4 O2 S -","- C30 H34 N4 O2 S -","- C60 H68 N8 O4 S2 -","2","1","","Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan","Designing a new cocrystal of olanzapine drug and observation of concomitant polymorphism in a ternary cocrystal system","CrystEngComm","2017","19","2","355","","10.1039/C6CE02227H","","","0.71073","MoKα","","0.0788","0.0656","","","0.1671","0.1777","","","","","","1.112","","","","has coordinates","191551","2020-10-21","18:00:00",""
"7227216","4.7532","0.0001","8.1538","0.0002","10.0237","0.0002","113.997","0.001","91.275","0.001","90.003","0.001","354.801","0.014","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C12 H16 Cl2 N2 O2 -","- C12 H16 Cl2 N2 O2 -","- C12 H16 Cl2 N2 O2 -","1","1","","Valdo, Ana Karoline Silva Mendanha; da Silva, Cameron Capeletti; Maia, Lauro June Queiroz; Sarotti, Ariel M.; Martins, Felipe T.","Experimental and theoretical second harmonic generation and photoluminescence from the pseudo-centrosymmetric dihydrochloride salt dihydrate of trans-1,2-bis(4-pyridyl)ethene","CrystEngComm","2017","19","2","346","","10.1039/C6CE02229D","","","0.71073","MoKα","","0.0553","0.0493","","","0.1342","0.1569","","","","","","1.109","","","","has coordinates,has disorder","191547","2020-10-21","18:00:00",""
"7227217","7.2247","0.0005","10.4855","0.0009","10.8336","0.0009","64.61","0.002","85.799","0.003","79.794","0.003","729.69","0.1","270","","270","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H15 As F6 O8 S8 -","- C24 H15 As F6 O8 S8 -","- C24 H15 As F6 O8 S8 -","1","0.5","","Yoshida, Junya; Ueda, Akira; Kumai, Reiji; Murakami, Youichi; Mori, Hatsumi","Anion substitution in hydrogen-bonded organic conductors: the chemical pressure effect on hydrogen-bond-mediated phase transition","CrystEngComm","2017","19","2","367","","10.1039/C6CE01763K","","","1","synchrotron","","0.0431","0.0403","","","0.1065","0.1081","","","","","","1.108","","","","has coordinates","191550","2020-10-21","18:00:00",""
"7227218","7.1809","0.0005","9.8084","0.0009","10.8511","0.0011","66.647","0.002","84.88","0.003","78.699","0.003","688.01","0.11","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H15 Cl O12 S8 -","- C24 H15 Cl O12 S8 -","- C24 H15 Cl O12 S8 -","1","0.5","","Yoshida, Junya; Ueda, Akira; Kumai, Reiji; Murakami, Youichi; Mori, Hatsumi","Anion substitution in hydrogen-bonded organic conductors: the chemical pressure effect on hydrogen-bond-mediated phase transition","CrystEngComm","2017","19","2","367","","10.1039/C6CE01763K","","","1","synchrotron","","0.0481","0.0446","","","0.1277","0.1317","","","","","","1.103","","","","has coordinates","191550","2020-10-21","18:00:00",""
"7227219","7.2808","0.0004","9.8586","0.0008","10.866","0.0008","66.382","0.002","85.05","0.003","78.872","0.003","701.14","0.09","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H15 Cl O12 S8 -","- C24 H15 Cl O12 S8 -","- C24 H15 Cl O12 S8 -","1","0.5","","Yoshida, Junya; Ueda, Akira; Kumai, Reiji; Murakami, Youichi; Mori, Hatsumi","Anion substitution in hydrogen-bonded organic conductors: the chemical pressure effect on hydrogen-bond-mediated phase transition","CrystEngComm","2017","19","2","367","","10.1039/C6CE01763K","","","1","synchrotron","","0.0487","0.0455","","","0.134","0.1375","","","","","","1.097","","","","has coordinates","191550","2020-10-21","18:00:00",""
"7227220","7.2244","0.0002","9.7489","0.0003","10.8919","0.0007","66.7372","0.001","85.5145","0.0013","79.0594","0.0012","691.94","0.05","240","","240","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H15 B F4 O8 S8 -","- C24 H15 B F4 O8 S8 -","- C24 H15 B F4 O8 S8 -","1","0.5","","Yoshida, Junya; Ueda, Akira; Kumai, Reiji; Murakami, Youichi; Mori, Hatsumi","Anion substitution in hydrogen-bonded organic conductors: the chemical pressure effect on hydrogen-bond-mediated phase transition","CrystEngComm","2017","19","2","367","","10.1039/C6CE01763K","","","1","synchrotron","","0.0429","0.0381","","","0.1082","0.1115","","","","","","1.058","","","","has coordinates","191550","2020-10-21","18:00:00",""
"7227221","7.2482","0.0002","10.268","0.0003","10.8587","0.0007","65.3729","0.001","85.6015","0.0012","79.458","0.0012","722.24","0.06","270","","270","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H15 F6 O8 P S8 -","- C24 H15 F6 O8 P S8 -","- C24 H15 F6 O8 P S8 -","1","0.5","","Yoshida, Junya; Ueda, Akira; Kumai, Reiji; Murakami, Youichi; Mori, Hatsumi","Anion substitution in hydrogen-bonded organic conductors: the chemical pressure effect on hydrogen-bond-mediated phase transition","CrystEngComm","2017","19","2","367","","10.1039/C6CE01763K","","","1","synchrotron","","0.0555","0.0546","","","0.1462","0.1478","","","","","","1.067","","","","has coordinates","191550","2020-10-21","18:00:00",""
"7227231","3.61996","0.00017","12.9546","0.0005","7.0224","0.0004","90","","94.632","0.003","90","","328.24","0.03","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 N4 O2 -","- C6 H8 N4 O2 -","- C12 H16 N8 O4 -","2","0.5","","Sato, M.; Takeda, T.; Hoshino, N.; Akutagawa, T.","Electronic and crystal structures of 1,2,3-triazole-fused p-benzoquinone derivatives","CrystEngComm","2017","19","6","910","","10.1039/C6CE02167K","","","1.54187","CuKα","","0.0564","0.0505","","","0.1354","0.1434","","","","","","1.143","","","","has coordinates","193760","2020-10-21","18:00:00",""
"7227232","10.76606","0.00019","8.25767","0.00015","17.3938","0.0003","90","","90","","90","","1546.35","0.05","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H24 N4 O2 -","- C14 H24 N4 O2 -","- C56 H96 N16 O8 -","4","0.5","","Sato, M.; Takeda, T.; Hoshino, N.; Akutagawa, T.","Electronic and crystal structures of 1,2,3-triazole-fused p-benzoquinone derivatives","CrystEngComm","2017","19","6","910","","10.1039/C6CE02167K","","","1.54187","CuKα","","0.0498","0.0484","","","0.1185","0.1198","","","","","","1.104","","","","has coordinates","193760","2020-10-21","18:00:00",""
"7227233","3.68405","0.00013","13.8967","0.0004","8.7734","0.0003","90","","101.475","0.002","90","","440.19","0.03","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 N6 O4 -","- C6 H4 N6 O4 -","- C12 H8 N12 O8 -","2","0.5","","Sato, M.; Takeda, T.; Hoshino, N.; Akutagawa, T.","Electronic and crystal structures of 1,2,3-triazole-fused p-benzoquinone derivatives","CrystEngComm","2017","19","6","910","","10.1039/C6CE02167K","","","1.54187","CuKα","","0.0717","0.0658","","","0.1878","0.1943","","","","","","1.084","","","","has coordinates","193760","2020-10-21","18:00:00",""
"7227234","7.5718","0.0003","8.46267","0.00018","8.7904","0.0002","102.057","0.0014","102.489","0.0018","101.212","0.0018","520.6","0.03","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H32 N8 O2 -","- C18 H32 N8 O2 -","- C18 H32 N8 O2 -","1","0.5","","Sato, M.; Takeda, T.; Hoshino, N.; Akutagawa, T.","Electronic and crystal structures of 1,2,3-triazole-fused p-benzoquinone derivatives","CrystEngComm","2017","19","6","910","","10.1039/C6CE02167K","","","1.54187","CuKα","","0.0587","0.0496","","","0.1301","0.1469","","","","","","1.084","","","","has coordinates","193760","2020-10-21","18:00:00",""
"7227235","10.5475","","20.4313","","6.8444","","90","","109.458","","90","","1390.72","","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H22 N8 O8 -","- C32 H22 N8 O8 -","- C64 H44 N16 O16 -","2","0.5","","Sato, M.; Takeda, T.; Hoshino, N.; Akutagawa, T.","Electronic and crystal structures of 1,2,3-triazole-fused p-benzoquinone derivatives","CrystEngComm","2017","19","6","910","","10.1039/C6CE02167K","","","1.54187","CuKα","","0.0669","0.0525","","","0.1322","0.1461","","","","","","1.106","","","","has coordinates","193760","2020-10-21","18:00:00",""
"7227236","9.6805","0.0002","3.52584","0.00008","14.4065","0.0003","90","","106.805","0.0013","90","","470.722","0.018","100","","100","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C6 H4 N6 Na O4 -","- C6 H6 N6 Na O4 -","- C12 H12 N12 Na2 O8 -","2","0.5","","Sato, M.; Takeda, T.; Hoshino, N.; Akutagawa, T.","Electronic and crystal structures of 1,2,3-triazole-fused p-benzoquinone derivatives","CrystEngComm","2017","19","6","910","","10.1039/C6CE02167K","","","1.54187","CuKα","","0.0604","0.0577","","","0.1656","0.17","","","","","","1.085","","","","has coordinates","193760","2020-10-21","18:00:00",""
"7227237","6.46087","0.00012","5.62884","0.00012","9.37402","0.00017","90","","99.3001","0.0009","90","","336.426","0.011","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H2 N6 O2 -","- C6 H2 N6 O2 -","- C12 H4 N12 O4 -","2","0.5","","Sato, M.; Takeda, T.; Hoshino, N.; Akutagawa, T.","Electronic and crystal structures of 1,2,3-triazole-fused p-benzoquinone derivatives","CrystEngComm","2017","19","6","910","","10.1039/C6CE02167K","","","1.54187","CuKα","","0.0457","0.0421","","","0.1079","0.1103","","","","","","1.087","","","","has coordinates","193760","2020-10-21","18:00:00",""
"7227238","10.0971","","19.4344","","7.5505","","90","","90.629","","90","","1481.55","","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H12 N8 O8 -","- C36 H12 N8 O8 -","- C72 H24 N16 O16 -","2","0.5","","Sato, M.; Takeda, T.; Hoshino, N.; Akutagawa, T.","Electronic and crystal structures of 1,2,3-triazole-fused p-benzoquinone derivatives","CrystEngComm","2017","19","6","910","","10.1039/C6CE02167K","","","1.54187","CuKα","","0.0566","0.0521","","","0.1557","0.1605","","","","","","1.1","","","","has coordinates","193760","2020-10-21","18:00:00",""
"7227241","23.0687","0.0014","23.0687","0.0014","20.7587","0.0017","90","","90","","120","","9567","1.1","173","2","173","2","","","","","","","","5","P -3","-P 3","147","","","","- C24 H15 N3 O15 Zn3 -","- C24 H15 N3 O15 Zn3 -","- C144 H90 N18 O90 Zn18 -","6","1","","Li, Qipeng; Luo, Jiagang; Wang, Lei; Qi, Cen; Yang, Yongsheng; Zhang, Xinjun; Qian, Jinjie","Two cage-based zinc-tetracarboxylate frameworks with white-light emission","CrystEngComm","2017","19","2","214","","10.1039/C6CE02281B","","","0.71073","MoKα","","0.1378","0.1126","","","0.2952","0.3127","","","","","","1.007","","","","has coordinates","191553","2020-10-21","18:00:00",""
"7227242","38.569","0.009","38.569","0.009","28.647","0.009","90","","90","","120","","36905","17","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C32 H20 N4 O20 Zn4 -","- C32 H20 N4 O20 Zn4 -","- C576 H360 N72 O360 Zn72 -","18","1","","Li, Qipeng; Luo, Jiagang; Wang, Lei; Qi, Cen; Yang, Yongsheng; Zhang, Xinjun; Qian, Jinjie","Two cage-based zinc-tetracarboxylate frameworks with white-light emission","CrystEngComm","2017","19","2","214","","10.1039/C6CE02281B","","","0.71073","MoKα","","0.1442","0.1307","","","0.4007","0.4265","","","","","","1.053","","","","has coordinates","191553","2020-10-21","18:00:00",""
"7227243","6.7854","0.0003","8.2932","0.0003","9.432","0.0003","97.567","0.002","107.241","0.002","97.513","0.002","494.35","0.03","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H10 F4 N4 -","- C26 H10 F4 N4 -","- C26 H10 F4 N4 -","1","0.5","","Hu, Peng; Li, Henan; Li, Yongxin; Jiang, Hui; Kloc, Christian","Single-crystal growth, structures, charge transfer and transport properties of anthracene-F4TCNQ and tetracene-F4TCNQ charge-transfer compounds","CrystEngComm","2017","19","4","618","","10.1039/C6CE02116F","","","1.54178","CuKα","","0.1374","0.1271","","","0.3802","0.3883","","","","","","1.624","","","","has coordinates","191554","2020-10-21","18:00:00",""
"7227244","8.6573","0.0011","7.1501","0.001","18.754","0.003","90","","96.93","0.009","90","","1152.4","0.3","103","","103","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H12 F4 N4 -","- C30 H12 F4 N4 -","- C60 H24 F8 N8 -","2","0.5","","Hu, Peng; Li, Henan; Li, Yongxin; Jiang, Hui; Kloc, Christian","Single-crystal growth, structures, charge transfer and transport properties of anthracene-F4TCNQ and tetracene-F4TCNQ charge-transfer compounds","CrystEngComm","2017","19","4","618","","10.1039/C6CE02116F","","x-ray","0.71073","MoKα","","0.0987","0.0399","","","0.0387","0.0433","","","","1.9","1.9","1.45","","","","has coordinates","191554","2020-10-21","18:00:00",""
"7227245","13.1253","0.0002","7.86257","0.00013","11.71964","0.00016","90","","90","","90","","1209.45","0.03","250","0.1","250","0.1","","","","","","","","6","P c a 21","P 2c -2ac","29","dabco ditetrafluoroborate monohydrate","","","- C6 H16 B2 F8 N2 O -","- C6 H16 B2 F8 N2 O -","- C24 H64 B8 F32 N8 O4 -","4","1","","Szafrański, Marek","Comment on “1,4-Diazabicyclo[2.2.2]octane-based disalts showing non-centrosymmetric structures and phase transition behaviors” by X.-B. Han, P. Hu, C. Shi and W. Zhang, CrystEngComm, 2016, 18, 1563","CrystEngComm","2017","19","1","179","","10.1039/C6CE01469K","","","0.71073","MoKα","","0.0446","0.0407","","","0.1101","0.1135","","","","","","1.053","","","","has coordinates","191580","2020-10-21","18:00:00",""
"7227246","7.8089","0.00018","11.6361","0.0002","12.9991","0.0003","90.0033","0.0017","89.9908","0.0018","90.0086","0.0018","1181.17","0.04","150","0.1","150","0.1","","","","","","","","6","P 1","P 1","1","dabco ditetrafluoroborate monohydrate","","","- C6 H16 B2 F8 N2 O -","- C6 H16 B2 F8 N2 O -","- C24 H64 B8 F32 N8 O4 -","4","4","","Szafrański, Marek","Comment on “1,4-Diazabicyclo[2.2.2]octane-based disalts showing non-centrosymmetric structures and phase transition behaviors” by X.-B. Han, P. Hu, C. Shi and W. Zhang, CrystEngComm, 2016, 18, 1563","CrystEngComm","2017","19","1","179","","10.1039/C6CE01469K","","","0.71073","MoKα","","0.0246","0.0235","","","0.0577","0.0584","","","","","","1.071","","","","has coordinates","191580","2020-10-21","18:00:00",""
"7227247","13.3063","0.0002","8.0603","0.0001","11.7787","0.0001","90","","90","","90","","1263.3","0.03","260","0.1","260","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","dabco diperchlorate monohydrate","","","- C6 H16 Cl2 N2 O9 -","- C6 H16 Cl2 N2 O9 -","- C24 H64 Cl8 N8 O36 -","4","1","","Szafrański, Marek","Comment on “1,4-Diazabicyclo[2.2.2]octane-based disalts showing non-centrosymmetric structures and phase transition behaviors” by X.-B. Han, P. Hu, C. Shi and W. Zhang, CrystEngComm, 2016, 18, 1563","CrystEngComm","2017","19","1","179","","10.1039/C6CE01469K","","","0.71073","MoKα","","0.0265","0.0249","","","0.0658","0.0668","","","","","","1.071","","","","has coordinates","191580","2020-10-21","18:00:00",""
"7227248","7.99901","0.00016","11.6844","0.0003","13.2191","0.0002","89.9922","0.0016","90.0224","0.0016","90.0075","0.0017","1235.5","0.04","150","0.1","150","0.1","","","","","","","","5","P 1","P 1","1","dabco diperchlorate monohydrate","","","- C6 H16 Cl2 N2 O9 -","- C6 H16 Cl2 N2 O9 -","- C24 H64 Cl8 N8 O36 -","4","4","","Szafrański, Marek","Comment on “1,4-Diazabicyclo[2.2.2]octane-based disalts showing non-centrosymmetric structures and phase transition behaviors” by X.-B. Han, P. Hu, C. Shi and W. Zhang, CrystEngComm, 2016, 18, 1563","CrystEngComm","2017","19","1","179","","10.1039/C6CE01469K","","","0.71073","MoKα","","0.0247","0.0239","","","0.0585","0.0591","","","","","","1.038","","","","has coordinates","191580","2020-10-21","18:00:00",""
"7227249","7.8457","0.0002","11.6885","0.0002","13.0792","0.0003","90.0075","0.0018","89.998","0.002","90.0165","0.0019","1199.42","0.05","220","0.1","220","0.1","","","","","","","","6","P 1","P 1","1","dabco ditetrafluoroborate monohydrate","","","- C6 H16 B2 F8 N2 O -","- C6 H16 B2 F8 N2 O -","- C24 H64 B8 F32 N8 O4 -","4","4","","Szafrański, Marek","Comment on “1,4-Diazabicyclo[2.2.2]octane-based disalts showing non-centrosymmetric structures and phase transition behaviors” by X.-B. Han, P. Hu, C. Shi and W. Zhang, CrystEngComm, 2016, 18, 1563","CrystEngComm","2017","19","1","179","","10.1039/C6CE01469K","","","0.71073","MoKα","","0.0415","0.0368","","","0.0901","0.094","","","","","","1.029","","","","has coordinates","191580","2020-10-21","18:00:00",""
"7227250","8.02169","0.00015","11.7137","0.0002","13.2529","0.0002","89.9946","0.0015","90.0068","0.0015","89.9829","0.0015","1245.29","0.04","200","0.1","200","0.1","","","","","","","","5","P 1","P 1","1","dabco diperchlorate monohydrate","","","- C6 H16 Cl2 N2 O9 -","- C6 H16 Cl2 N2 O9 -","- C24 H64 Cl8 N8 O36 -","4","4","","Szafrański, Marek","Comment on “1,4-Diazabicyclo[2.2.2]octane-based disalts showing non-centrosymmetric structures and phase transition behaviors” by X.-B. Han, P. Hu, C. Shi and W. Zhang, CrystEngComm, 2016, 18, 1563","CrystEngComm","2017","19","1","179","","10.1039/C6CE01469K","","","0.71073","MoKα","","0.0212","0.0205","","","0.0547","0.0552","","","","","","1.066","","","","has coordinates","191580","2020-10-21","18:00:00",""
"7227257","3.6632","0.0003","3.6632","0.0003","11.998","0.002","90","","90","","90","","161","0.03","293","","293","","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- Al Ca Gd O4 -","- Al Ca Gd O4 -","- Al2 Ca2 Gd2 O8 -","2","0.0625","","Hu, Qiangqiang; Jia, Zhitai; Tang, Cheng; Lin, Na; Zhang, Jian; Jia, Ning; Wang, Shanpeng; Zhao, Xian; Tao, Xutang","The origin of coloration of CaGdAlO4 crystals and its effect on their physical properties","CrystEngComm","2017","19","3","537","","10.1039/C6CE02411D","","x-ray","0.71073","MoKα","","0.0287","0.0287","","","0.0745","0.0745","","","","1","1","1","","","","has coordinates","191561","2020-10-21","18:00:00",""
"7227258","9.307","0.0003","17.6267","0.0004","10.8072","0.0003","90","","113.592","0.004","90","","1624.75","0.09","120","0.1","120","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Cl4 N2 O4 Re -","- C12 H10 Cl4 N2 O4 Re -","- C48 H40 Cl16 N8 O16 Re4 -","4","0.5","","Pedersen, Anders H.; Julve, Miguel; Brechin, Euan K.; Martínez-Lillo, José","Self-assembly of the tetrachlorido(oxalato)rhenate(iv) anion with protonated organic cations: X-ray structures and magnetic properties","CrystEngComm","2017","19","3","503","","10.1039/C6CE02025A","","x-ray","1.54184","CuKα","","0.0326","0.0322","","","0.0849","0.0857","","","","","","1.032","","","","has coordinates","191560","2020-10-21","18:00:00",""
"7227259","9.8643","0.0002","9.9913","0.0002","12.1357","0.0002","93.364","0.0007","92.3297","0.0007","119.535","0.0006","1035.51","0.03","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H14 Cl4 N8 O4 Re -","- C14 H14 Cl4 N8 O4 Re -","- C28 H28 Cl8 N16 O8 Re2 -","2","1","","Pedersen, Anders H.; Julve, Miguel; Brechin, Euan K.; Martínez-Lillo, José","Self-assembly of the tetrachlorido(oxalato)rhenate(iv) anion with protonated organic cations: X-ray structures and magnetic properties","CrystEngComm","2017","19","3","503","","10.1039/C6CE02025A","","","0.71073","MoKα","","0.0168","0.0167","","","0.0457","0.0458","","","","","","1.006","","","","has coordinates","191560","2020-10-21","18:00:00",""
"7227260","6.0614","0.0005","4.9572","0.0004","12.1601","0.001","90","","102.523","0.008","90","","356.69","0.05","295","","295","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H7 Br O -","- C7 H7 Br O -","- C14 H14 Br2 O2 -","2","1","","Romasanta, A. K. S.; Braga, D.; Duarte, M. T.; Grepioni, F.","How similar is similar? Exploring the binary and ternary solid solution landscapes of p-methyl/chloro/bromo-benzyl alcohols","CrystEngComm","2017","19","4","653","","10.1039/C6CE02282K","","","0.71073","MoKα","","0.0623","0.048","","","0.1061","0.1165","","","","","","1.005","","","","has coordinates","191558","2020-10-21","18:00:00",""
"7227261","6.044","0.002","4.9739","0.0012","12.231","0.005","90","","103.69","0.04","90","","357.2","0.2","295","","295","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7.5 H8.5 Br0.5 O -","- C7.5 H8.5 Br0.5 O -","- C15 H17 Br O2 -","2","1","","Romasanta, A. K. S.; Braga, D.; Duarte, M. T.; Grepioni, F.","How similar is similar? Exploring the binary and ternary solid solution landscapes of p-methyl/chloro/bromo-benzyl alcohols","CrystEngComm","2017","19","4","653","","10.1039/C6CE02282K","","","0.71073","MoKα","","0.1333","0.0943","","","0.2196","0.2507","","","","","","1.141","","","","has coordinates,has disorder","191558","2020-10-21","18:00:00",""
"7227262","5.9892","0.0006","4.9395","0.0005","12.0858","0.0012","90","","102.59","0.01","90","","348.94","0.06","295","","295","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H7 Br0.5 Cl0.5 O -","- C7 H7 Br0.5 Cl0.5 O -","- C14 H14 Br Cl O2 -","2","1","","Romasanta, A. K. S.; Braga, D.; Duarte, M. T.; Grepioni, F.","How similar is similar? Exploring the binary and ternary solid solution landscapes of p-methyl/chloro/bromo-benzyl alcohols","CrystEngComm","2017","19","4","653","","10.1039/C6CE02282K","","","0.71073","MoKα","","0.0698","0.0512","","","0.1062","0.1232","","","","","","1","","","","has coordinates,has disorder","191558","2020-10-21","18:00:00",""
"7227263","13.7763","0.0012","16.0926","0.0012","17.8036","0.001","82.048","0.005","72.999","0.006","68.508","0.008","3509.9","0.5","175","","175","","","","","","","","","4","P -1","-P 1","2","","","","- C128 H104 O28 Si8 -","- C128 H104 O28 Si8 -","- C128 H104 O28 Si8 -","1","0.5","","Voisin, Doria; Flot, David; Van der Lee, Arie; Dautel, Olivier J.; Moreau, Joel J. E.","Hydrogen bond-directed assembly of silsesquioxanes cubes: synthesis of carboxylic acid POSS derivatives and the solid state structure of octa[2-(p-carboxyphenyl)ethyl] silsesquioxane","CrystEngComm","2017","19","3","492","","10.1039/C6CE02369J","","","0.71073","MoKα","","0.1262","0.0989","","0.1518","0.1254","0.1254","","","","","","1.1368","","","","has coordinates","191563","2020-10-21","18:00:00",""
"7227264","10.894","0.003","12.114","0.003","15.8","0.003","85.936","0.01","76.182","0.009","78.08","0.02","1980.6","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C80 H88 O30 Si8 -","- C77.4 H82.8 O29.35 Si8 -","- C77.4 H82.8 O29.35 Si8 -","1","0.5","","Voisin, Doria; Flot, David; Van der Lee, Arie; Dautel, Olivier J.; Moreau, Joel J. E.","Hydrogen bond-directed assembly of silsesquioxanes cubes: synthesis of carboxylic acid POSS derivatives and the solid state structure of octa[2-(p-carboxyphenyl)ethyl] silsesquioxane","CrystEngComm","2017","19","3","492","","10.1039/C6CE02369J","","","0.8729","synchrotron","","0.0804","0.0586","","","0.1621","0.1825","","","","","","1.026","","","","has coordinates","191563","2020-10-21","18:00:00",""
"7227265","23.4161","0.0015","37.487","0.002","32.528","0.002","90","","92.683","0.003","90","","28522","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C384 H324 N12 O12 Zn2 -","- C384 H324 N12 O12 Zn2 -","- C1536 H1296 N48 O48 Zn8 -","4","0.5","","Escudero, Eduardo Carmelo; Bauza, Antonio; Hernández-Eguía, Laura P; Würthner, Frank; Ballester, Pablo; Frontera, Antonio","Solid-state Inclusion of C60 and C70 in a Co-polymer Induced by Metal-Ligand Coordination of a Zn-Porphyrin Cage with a bis-pyridyl Perylene Derivative","CrystEngComm","2016","","","","","10.1039/C6CE02341J","","","0.71073","MoKα","","0.1472","0.1076","","","0.2956","0.3372","","","","","","1.041","","","","has coordinates,has disorder","189113","2020-10-21","18:00:00",""
"7227266","12.5655","0.0004","29.3398","0.0006","31.6215","0.0009","65.535","0.002","88.865","0.002","84.862","0.002","10566.6","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C254 H249 N12 O12 Zn2 -","- C254 H249 N12 O12 Zn2 -","- C508 H498 N24 O24 Zn4 -","2","1","","Escudero, Eduardo Carmelo; Bauza, Antonio; Hernández-Eguía, Laura P; Würthner, Frank; Ballester, Pablo; Frontera, Antonio","Solid-state Inclusion of C60 and C70 in a Co-polymer Induced by Metal-Ligand Coordination of a Zn-Porphyrin Cage with a bis-pyridyl Perylene Derivative","CrystEngComm","2016","","","","","10.1039/C6CE02341J","","","0.7107","MoKα","","0.121","0.0707","","","0.1848","0.2093","","","","","","1.034","","","","has coordinates,has disorder","189113","2020-10-21","18:00:00",""
"7227267","23.33","0.004","37.315","0.006","32.612","0.005","90","","92.835","0.004","90","","28356","8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C374 H324 N12 O12 Zn2 -","- C374 H324 N12 O12 Zn2 -","- C1496 H1296 N48 O48 Zn8 -","4","0.5","","Escudero, Eduardo Carmelo; Bauza, Antonio; Hernández-Eguía, Laura P; Würthner, Frank; Ballester, Pablo; Frontera, Antonio","Solid-state Inclusion of C60 and C70 in a Co-polymer Induced by Metal-Ligand Coordination of a Zn-Porphyrin Cage with a bis-pyridyl Perylene Derivative","CrystEngComm","2016","","","","","10.1039/C6CE02341J","","","0.71073","MoKα","","0.1343","0.0629","","","0.1498","0.1852","","","","","","0.988","","","","has coordinates,has disorder","189113","2020-10-21","18:00:00",""
"7227268","4.5613","0.0005","10.2296","0.0011","13.7303","0.0015","80.28","0.003","83.693","0.003","87.814","0.003","627.52","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 F4 I2 N6 O2 -","- C22 H18 F4 I2 N6 O2 -","- C22 H18 F4 I2 N6 O2 -","1","0.5","","Som, Bozumeh; Salpage, Sahan R.; Son, Juno; Gu, Bing; Karakalos, Stavros G.; Smith, Mark D.; Shimizu, Linda S.","Pillars of assembled pyridyl bis-urea macrocycles: a robust synthon to organize diiodotetrafluorobenzenes","CrystEngComm","2017","19","3","484","","10.1039/C6CE02392D","","x-ray","0.71073","MoKα","","0.0313","0.0242","","","0.0416","0.0428","","","","","","1.063","","","","has coordinates","191565","2020-10-21","18:00:00",""
"7227269","4.6564","0.0003","12.7812","0.0009","14.2764","0.0009","104.509","0.002","96.086","0.002","97.186","0.002","807.71","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H18 F8 I4 N6 O2 -","- C28 H18 F8 I4 N6 O2 -","- C28 H18 F8 I4 N6 O2 -","1","0.5","","Som, Bozumeh; Salpage, Sahan R.; Son, Juno; Gu, Bing; Karakalos, Stavros G.; Smith, Mark D.; Shimizu, Linda S.","Pillars of assembled pyridyl bis-urea macrocycles: a robust synthon to organize diiodotetrafluorobenzenes","CrystEngComm","2017","19","3","484","","10.1039/C6CE02392D","","x-ray","0.71073","MoKα","","0.035","0.0247","","","0.0476","0.0506","","","","","","1.062","","","","has coordinates","191565","2020-10-21","18:00:00",""
"7227270","4.5773","0.0003","36.882","0.003","21.7673","0.0014","90","","91.029","0.002","90","","3674.2","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 F8 I4 N6 O3 S -","- C30 H24 F8 I4 N6 O3 S -","- C120 H96 F32 I16 N24 O12 S4 -","4","1","","Som, Bozumeh; Salpage, Sahan R.; Son, Juno; Gu, Bing; Karakalos, Stavros G.; Smith, Mark D.; Shimizu, Linda S.","Pillars of assembled pyridyl bis-urea macrocycles: a robust synthon to organize diiodotetrafluorobenzenes","CrystEngComm","2017","19","3","484","","10.1039/C6CE02392D","","x-ray","0.71073","MoKα","","0.0755","0.0454","","","0.0643","0.0698","","","","","","1.103","","","","has coordinates","191565","2020-10-21","18:00:00",""
"7227284","8.8117","0.0009","7.4263","0.0008","14.7072","0.0016","90","","90","","90","","962.41","0.18","213","1","213","1","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C8 H8 I2 -","- C8 H8 I2 -","- C32 H32 I8 -","4","1","","Albright, Emily; Cann, Jonathan; Decken, Andreas; Eisler, Sara","Halogen⋯halogen interactions in diiodo-xylenes","CrystEngComm","2017","19","7","1024","","10.1039/C6CE02339H","","x-ray","0.71073","MoKα","","0.0312","0.031","","","0.0846","0.0848","","","","","","1.091","","","","has coordinates","193765","2020-10-21","18:00:00",""
"7227285","9.572","0.005","8.414","0.005","11.973","0.006","90","","105.341","0.008","90","","929.9","0.9","198","2","198","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C8 H8 I2 -","- C8 H8 I2 -","- C32 H32 I8 -","4","0.5","","Albright, Emily; Cann, Jonathan; Decken, Andreas; Eisler, Sara","Halogen⋯halogen interactions in diiodo-xylenes","CrystEngComm","2017","19","7","1024","","10.1039/C6CE02339H","","x-ray","0.71073","MoKα","","0.036","0.0341","","","0.0954","0.0992","","","","","","1.241","","","","has coordinates","193765","2020-10-21","18:00:00",""
"7227286","7.2216","0.0007","22.988","0.002","17.6581","0.0019","90","","101.235","0.001","90","","2875.2","0.5","213","2","213","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C8 H8 I2 -","- C8 H8 I2 -","- C96 H96 I24 -","12","3","","Albright, Emily; Cann, Jonathan; Decken, Andreas; Eisler, Sara","Halogen⋯halogen interactions in diiodo-xylenes","CrystEngComm","2017","19","7","1024","","10.1039/C6CE02339H","","x-ray","0.71073","MoKα","","0.0342","0.0279","","","0.0663","0.0707","","","","","","1.083","","","","has coordinates","193765","2020-10-21","18:00:00",""
"7227287","8.107","0.003","16.238","0.005","14.621","0.005","90","","93.57","0.004","90","","1921","1.1","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 I2 -","- C8 H8 I2 -","- C64 H64 I16 -","8","2","","Albright, Emily; Cann, Jonathan; Decken, Andreas; Eisler, Sara","Halogen⋯halogen interactions in diiodo-xylenes","CrystEngComm","2017","19","7","1024","","10.1039/C6CE02339H","","x-ray","0.71073","MoKα","","0.031","0.0267","","","0.0687","0.071","","","","","","1.041","","","","has coordinates","193765","2020-10-21","18:00:00",""
"7227288","10.3425","0.0005","13.0194","0.0007","13.2226","0.0005","90","","90","","90","","1780.46","0.15","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H19 N -","- C24 H19 N -","- C96 H76 N4 -","4","1","","Mallia, Ajith R.; Ramakrishnan, Remya; Niyas, M. A.; Hariharan, Mahesh","Crystalline triphenylamine substituted arenes: solid state packing and luminescence properties","CrystEngComm","2017","19","5","817","","10.1039/C6CE02321E","","","0.71073","MoKα","","0.0405","0.0337","","","0.0841","0.0889","","","","","","1.05","","","","has coordinates","191569","2020-10-21","18:00:00",""
"7227289","14.0037","0.0003","18.865","0.0004","9.2913","0.0002","90","","109.592","0.001","90","","2312.46","0.09","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C32 H23 N -","- C32 H23 N -","- C128 H92 N4 -","4","0.5","","Mallia, Ajith R.; Ramakrishnan, Remya; Niyas, M. A.; Hariharan, Mahesh","Crystalline triphenylamine substituted arenes: solid state packing and luminescence properties","CrystEngComm","2017","19","5","817","","10.1039/C6CE02321E","","","0.71073","MoKα","","0.0525","0.0411","","","0.1044","0.1176","","","","","","1.05","","","","has coordinates","191569","2020-10-21","18:00:00",""
"7227290","7.66","0.0005","14.3344","0.001","21.738","0.0015","87.427","0.003","83.718","0.003","75.715","0.003","2298.8","0.3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H23 N -","- C32 H23 N -","- C128 H92 N4 -","4","2","","Mallia, Ajith R.; Ramakrishnan, Remya; Niyas, M. A.; Hariharan, Mahesh","Crystalline triphenylamine substituted arenes: solid state packing and luminescence properties","CrystEngComm","2017","19","5","817","","10.1039/C6CE02321E","","","0.71073","MoKα","","0.0697","0.0429","","","0.1256","0.1592","","","","","","1.099","","","","has coordinates","191569","2020-10-21","18:00:00",""
"7227291","18.1949","0.0008","10.7188","0.0003","12.2321","0.0005","90","","95.895","0.002","90","","2372.98","0.16","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H23 N -","- C34 H23 N -","- C136 H92 N4 -","4","1","","Mallia, Ajith R.; Ramakrishnan, Remya; Niyas, M. A.; Hariharan, Mahesh","Crystalline triphenylamine substituted arenes: solid state packing and luminescence properties","CrystEngComm","2017","19","5","817","","10.1039/C6CE02321E","","","0.71073","MoKα","","0.0595","0.0392","","","0.1055","0.141","","","","","","1.121","","","","has coordinates","191569","2020-10-21","18:00:00",""
"7227292","20.863","0.003","10.6106","0.0016","11.6041","0.0013","90","","93.835","0.005","90","","2563","0.6","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C38 H25 N -","- C38 H25 N -","- C152 H100 N4 -","4","1","","Mallia, Ajith R.; Ramakrishnan, Remya; Niyas, M. A.; Hariharan, Mahesh","Crystalline triphenylamine substituted arenes: solid state packing and luminescence properties","CrystEngComm","2017","19","5","817","","10.1039/C6CE02321E","","","0.71073","MoKα","","0.1754","0.0566","","","0.1198","0.1877","","","","","","0.993","","","","has coordinates","191569","2020-10-21","18:00:00",""
"7227293","15.4053","0.0003","7.6463","0.0002","17.3621","0.0004","90","","100.301","0.001","90","","2012.18","0.08","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H21 N -","- C28 H21 N -","- C112 H84 N4 -","4","1","","Mallia, Ajith R.; Ramakrishnan, Remya; Niyas, M. A.; Hariharan, Mahesh","Crystalline triphenylamine substituted arenes: solid state packing and luminescence properties","CrystEngComm","2017","19","5","817","","10.1039/C6CE02321E","","","0.71073","MoKα","","0.0713","0.0472","","","0.1014","0.1266","","","","","","1.103","","","","has coordinates","191569","2020-10-21","18:00:00",""
"7227294","7.157","0.0014","12.806","0.003","7.856","0.0016","90","","90","","90","","720","0.3","153","2","153","2","","","","","","","","4","C c c m","-C 2 2c","66","","","","- C6 H4 Mn N4 -","- C6 H4 Mn N4 -","- C24 H16 Mn4 N16 -","4","0.25","","Xia, Bin; Wang, Kai; Wang, Qing-Lun; Ma, Yue; Tong, Yu-Zhang; Liao, Dai-Zheng","Crystal structure and magnetic properties of two manganese(ii) homometallic coordination polymers","CrystEngComm","2017","19","5","811","","10.1039/C6CE02178F","","","0.71073","MoKα","","0.0316","0.0249","","","0.0668","0.0699","","","","","","1.11","","","","has coordinates","191566","2020-10-21","18:00:00",""
"7227295","8.363","0.0017","12.827","0.003","12.987","0.003","78.01","0.03","77.5","0.03","71.85","0.03","1277.6","0.6","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C25.14 H20.28 Mn2 N8 O -","- C25.14 H19.85 Mn2 N8 O -","- C50.28 H39.7 Mn4 N16 O2 -","2","1","","Xia, Bin; Wang, Kai; Wang, Qing-Lun; Ma, Yue; Tong, Yu-Zhang; Liao, Dai-Zheng","Crystal structure and magnetic properties of two manganese(ii) homometallic coordination polymers","CrystEngComm","2017","19","5","811","","10.1039/C6CE02178F","","","0.71073","MoKα","","0.0669","0.0536","","","0.1435","0.1549","","","","","","1.067","","","","has coordinates","191566","2020-10-21","18:00:00",""
"7227296","17.112","0.0015","16.287","0.0013","9.1823","0.0008","90","","107.089","0.009","90","","2446.1","0.4","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H22 Cd N2 O9 -","- C28 H20 Cd N2 O9 -","- C112 H80 Cd4 N8 O36 -","4","1","","Li, Wen-Bo; Yao, Qing-Xia; Sun, Li; Yang, Xiao-Dong; Guo, Rui-Yun; Zhang, Jie","A viologen-based coordination polymer exhibiting high sensitivity towards various light sources","CrystEngComm","2017","19","4","722","","10.1039/C6CE02496C","","","0.71073","MoKα","","0.0451","0.0344","","","0.0809","0.0863","","","","","","1.028","","","","has coordinates","191556","2020-10-21","18:00:00",""
"7227297","17.1144","0.0014","16.2849","0.0012","9.1786","0.0007","90","","107.107","0.008","90","","2445","0.3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H22 Cd N2 O9 -","- C28 H20 Cd N2 O9 -","- C112 H80 Cd4 N8 O36 -","4","1","","Li, Wen-Bo; Yao, Qing-Xia; Sun, Li; Yang, Xiao-Dong; Guo, Rui-Yun; Zhang, Jie","A viologen-based coordination polymer exhibiting high sensitivity towards various light sources","CrystEngComm","2017","19","4","722","","10.1039/C6CE02496C","","","0.71073","MoKα","","0.0491","0.0369","","","0.086","0.0935","","","","","","1.019","","","","has coordinates","191556","2020-10-21","18:00:00",""
"7227298","19.1","0.007","22.96","0.008","24.338","0.009","90","","90","","90","","10673","7","296","2","296.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H48 Er Mn Mo9 N5 O49 -","- C12 H10 Er Mn Mo9 N5 O49 -","- C96 H80 Er8 Mn8 Mo72 N40 O392 -","8","1","","Gong, Peijun; Li, Yanyan; Zhai, Cuiping; Luo, Jie; Tian, Xuemeng; Chen, Lijuan; Zhao, Junwei","Syntheses, structural characterization and photophysical properties of two series of rare-earth-isonicotinic-acid containing Waugh-type manganomolybdates","CrystEngComm","2017","19","5","834","","10.1039/C6CE02428A","","","0.71073","MoKα","","0.0645","0.0395","","","0.0955","0.1032","","","","","","1.063","","","","has coordinates","191571","2020-10-21","18:00:00",""
"7227299","19.0464","0.0006","22.8077","0.0007","24.2799","0.0007","90","","90","","90","","10547.3","0.6","296","2","296.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H48 Eu Mn Mo9 N5 O49 -","- C12 H10 Eu Mn Mo9 N5 O49 -","- C96 H80 Eu8 Mn8 Mo72 N40 O392 -","8","1","","Gong, Peijun; Li, Yanyan; Zhai, Cuiping; Luo, Jie; Tian, Xuemeng; Chen, Lijuan; Zhao, Junwei","Syntheses, structural characterization and photophysical properties of two series of rare-earth-isonicotinic-acid containing Waugh-type manganomolybdates","CrystEngComm","2017","19","5","834","","10.1039/C6CE02428A","","","0.71073","MoKα","","0.0464","0.0325","","","0.0863","0.0913","","","","","","1.082","","","","has coordinates","191571","2020-10-21","18:00:00",""
"7227300","10.4141","0.0004","12.6941","0.0005","19.1513","0.0009","72.893","0.001","82.037","0.001","89.305","0.001","2395.32","0.17","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H82 Mn2 Mo18 N12 Nd2 O88 -","- C24 H18 Mn2 Mo18 N12 Nd2 O88 -","- C24 H18 Mn2 Mo18 N12 Nd2 O88 -","1","0.5","","Gong, Peijun; Li, Yanyan; Zhai, Cuiping; Luo, Jie; Tian, Xuemeng; Chen, Lijuan; Zhao, Junwei","Syntheses, structural characterization and photophysical properties of two series of rare-earth-isonicotinic-acid containing Waugh-type manganomolybdates","CrystEngComm","2017","19","5","834","","10.1039/C6CE02428A","","","0.71073","MoKα","","0.0477","0.0364","","","0.0929","0.0984","","","","","","1.058","","","","has coordinates","191571","2020-10-21","18:00:00",""
"7227301","18.9813","0.0011","22.8264","0.0014","24.1927","0.0014","90","","90","","90","","10482.1","1.1","296","2","296.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H48 Mn Mo9 N5 O49 Y -","- C12 H10 Mn Mo9 N5 O49 Y -","- C96 H80 Mn8 Mo72 N40 O392 Y8 -","8","1","","Gong, Peijun; Li, Yanyan; Zhai, Cuiping; Luo, Jie; Tian, Xuemeng; Chen, Lijuan; Zhao, Junwei","Syntheses, structural characterization and photophysical properties of two series of rare-earth-isonicotinic-acid containing Waugh-type manganomolybdates","CrystEngComm","2017","19","5","834","","10.1039/C6CE02428A","","","0.71073","MoKα","","0.0568","0.0364","","","0.0903","0.0964","","","","","","1.068","","","","has coordinates","191571","2020-10-21","18:00:00",""
"7227302","10.3698","0.0006","12.6471","0.0008","19.0794","0.0011","73.32","0.001","81.798","0.001","88.775","0.001","2371.9","0.2","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H82 La2 Mn2 Mo18 N12 O88 -","- C24 H18 La2 Mn2 Mo18 N12 O88 -","- C24 H18 La2 Mn2 Mo18 N12 O88 -","1","0.5","","Gong, Peijun; Li, Yanyan; Zhai, Cuiping; Luo, Jie; Tian, Xuemeng; Chen, Lijuan; Zhao, Junwei","Syntheses, structural characterization and photophysical properties of two series of rare-earth-isonicotinic-acid containing Waugh-type manganomolybdates","CrystEngComm","2017","19","5","834","","10.1039/C6CE02428A","","","0.71073","MoKα","","0.0643","0.0476","","","0.1254","0.134","","","","","","1.071","","","","has coordinates","191571","2020-10-21","18:00:00",""
"7227303","19.0677","0.0016","22.7335","0.0019","24.228","0.002","90","","90","","90","","10502.2","1.5","296","2","296.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H48 Mn Mo9 N5 O49 Tb -","- C12 H10 Mn Mo9 N5 O49 Tb -","- C96 H80 Mn8 Mo72 N40 O392 Tb8 -","8","1","","Gong, Peijun; Li, Yanyan; Zhai, Cuiping; Luo, Jie; Tian, Xuemeng; Chen, Lijuan; Zhao, Junwei","Syntheses, structural characterization and photophysical properties of two series of rare-earth-isonicotinic-acid containing Waugh-type manganomolybdates","CrystEngComm","2017","19","5","834","","10.1039/C6CE02428A","","","0.71073","MoKα","","0.0397","0.0303","","","0.0819","0.0863","","","","","","1.098","","","","has coordinates","191571","2020-10-21","18:00:00",""
"7227304","18.9956","0.0007","22.8143","0.0009","24.1926","0.001","90","","90","","90","","10484.4","0.7","296","2","296.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H48 Mn Mo9 N5 O49 Tm -","- C12 H10 Mn Mo9 N5 O49 Tm -","- C96 H80 Mn8 Mo72 N40 O392 Tm8 -","8","1","","Gong, Peijun; Li, Yanyan; Zhai, Cuiping; Luo, Jie; Tian, Xuemeng; Chen, Lijuan; Zhao, Junwei","Syntheses, structural characterization and photophysical properties of two series of rare-earth-isonicotinic-acid containing Waugh-type manganomolybdates","CrystEngComm","2017","19","5","834","","10.1039/C6CE02428A","","","0.71073","MoKα","","0.0397","0.0312","","","0.088","0.0914","","","","","","1.057","","","","has coordinates","191571","2020-10-21","18:00:00",""
"7227305","18.9918","0.0008","22.8191","0.001","24.1887","0.0011","90","","90","","90","","10482.8","0.8","296","2","296.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H48 Ho Mn Mo9 N5 O49 -","- C12 H10 Ho Mn Mo9 N5 O49 -","- C96 H80 Ho8 Mn8 Mo72 N40 O392 -","8","1","","Gong, Peijun; Li, Yanyan; Zhai, Cuiping; Luo, Jie; Tian, Xuemeng; Chen, Lijuan; Zhao, Junwei","Syntheses, structural characterization and photophysical properties of two series of rare-earth-isonicotinic-acid containing Waugh-type manganomolybdates","CrystEngComm","2017","19","5","834","","10.1039/C6CE02428A","","","0.71073","MoKα","","0.0681","0.0416","","","0.1069","0.1239","","","","","","1.088","","","","has coordinates","191571","2020-10-21","18:00:00",""
"7227306","10.431","0.0005","12.6785","0.0006","19.1442","0.0009","72.956","0.001","82.02","0.001","89.255","0.001","2396.1","0.2","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H82 Mn2 Mo18 N12 O88 Pr2 -","- C24 H18 Mn2 Mo18 N12 O88 Pr2 -","- C24 H18 Mn2 Mo18 N12 O88 Pr2 -","1","0.5","","Gong, Peijun; Li, Yanyan; Zhai, Cuiping; Luo, Jie; Tian, Xuemeng; Chen, Lijuan; Zhao, Junwei","Syntheses, structural characterization and photophysical properties of two series of rare-earth-isonicotinic-acid containing Waugh-type manganomolybdates","CrystEngComm","2017","19","5","834","","10.1039/C6CE02428A","","","0.71073","MoKα","","0.0422","0.0329","","","0.083","0.0871","","","","","","1.049","","","","has coordinates","191571","2020-10-21","18:00:00",""
"7227307","19.0792","0.0009","22.8325","0.001","24.331","0.0011","90","","90","","90","","10599.2","0.8","296","2","296.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H48 Mn Mo9 N5 O49 Sm -","- C12 H10 Mn Mo9 N5 O49 Sm -","- C96 H80 Mn8 Mo72 N40 O392 Sm8 -","8","1","","Gong, Peijun; Li, Yanyan; Zhai, Cuiping; Luo, Jie; Tian, Xuemeng; Chen, Lijuan; Zhao, Junwei","Syntheses, structural characterization and photophysical properties of two series of rare-earth-isonicotinic-acid containing Waugh-type manganomolybdates","CrystEngComm","2017","19","5","834","","10.1039/C6CE02428A","","","0.71073","MoKα","","0.0352","0.0274","","","0.0722","0.0757","","","","","","1.091","","","","has coordinates","191571","2020-10-21","18:00:00",""
"7227308","18.9941","0.0011","22.8037","0.0014","24.1386","0.0014","90","","90","","90","","10455.3","1.1","296","2","296.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H48 Mn Mo9 N5 O49 Yb -","- C12 H10 Mn Mo9 N5 O49 Yb -","- C96 H80 Mn8 Mo72 N40 O392 Yb8 -","8","1","","Gong, Peijun; Li, Yanyan; Zhai, Cuiping; Luo, Jie; Tian, Xuemeng; Chen, Lijuan; Zhao, Junwei","Syntheses, structural characterization and photophysical properties of two series of rare-earth-isonicotinic-acid containing Waugh-type manganomolybdates","CrystEngComm","2017","19","5","834","","10.1039/C6CE02428A","","","0.71073","MoKα","","0.0426","0.0325","","","0.0898","0.0939","","","","","","1.077","","","","has coordinates","191571","2020-10-21","18:00:00",""
"7227309","19.0411","0.0009","22.8346","0.0011","24.2724","0.0011","90","","90","","90","","10553.5","0.9","296","2","296.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H48 Gd Mn Mo9 N5 O49 -","- C12 H10 Gd Mn Mo9 N5 O49 -","- C96 H80 Gd8 Mn8 Mo72 N40 O392 -","8","1","","Gong, Peijun; Li, Yanyan; Zhai, Cuiping; Luo, Jie; Tian, Xuemeng; Chen, Lijuan; Zhao, Junwei","Syntheses, structural characterization and photophysical properties of two series of rare-earth-isonicotinic-acid containing Waugh-type manganomolybdates","CrystEngComm","2017","19","5","834","","10.1039/C6CE02428A","","","0.71073","MoKα","","0.0554","0.0351","","","0.0819","0.0882","","","","","","1.04","","","","has coordinates","191571","2020-10-21","18:00:00",""
"7227310","19.0233","0.0006","22.7722","0.0007","24.1995","0.0007","90","","90","","90","","10483.3","0.6","296","2","296.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H48 Dy Mn Mo9 N5 O49 -","- C12 H10 Dy Mn Mo9 N5 O49 -","- C96 H80 Dy8 Mn8 Mo72 N40 O392 -","8","1","","Gong, Peijun; Li, Yanyan; Zhai, Cuiping; Luo, Jie; Tian, Xuemeng; Chen, Lijuan; Zhao, Junwei","Syntheses, structural characterization and photophysical properties of two series of rare-earth-isonicotinic-acid containing Waugh-type manganomolybdates","CrystEngComm","2017","19","5","834","","10.1039/C6CE02428A","","","0.71073","MoKα","","0.0509","0.0351","","","0.1039","0.1159","","","","","","1.083","","","","has coordinates","191571","2020-10-21","18:00:00",""
"7227315","17.694","0.003","17.694","0.003","21.24","0.004","90","","90","","120","","5758.9","1.8","293","2","293","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C72 H60 N24 O24 Y2 -","- C72 H60 N24 O24 Y2 -","- C144 H120 N48 O48 Y4 -","2","0.166667","","Zeng, Cheng-Hui; Luo, Zhixun; Yao, Jiannian","Porous hydrogen-bonded organic‒inorganic frameworks: weak interactions and selective dye filtration","CrystEngComm","2017","19","4","613","","10.1039/C6CE02367C","","","0.71073","MoKα","","0.1401","0.1039","","","0.2891","0.3213","","","","","","1.009","","","","has coordinates","191555","2020-10-21","18:00:00",""
"7227316","17.786","0.003","17.786","0.003","21.419","0.004","90","","90","","120","","5867.9","1.8","296","2","296","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C72 H60 Er2 N24 O24 -","- C72 H60 Er2 N24 O24 -","- C144 H120 Er4 N48 O48 -","2","0.166667","","Zeng, Cheng-Hui; Luo, Zhixun; Yao, Jiannian","Porous hydrogen-bonded organic‒inorganic frameworks: weak interactions and selective dye filtration","CrystEngComm","2017","19","4","613","","10.1039/C6CE02367C","","","0.71073","MoKα","","0.067","0.0594","","","0.1996","0.2076","","","","","","1.003","","","","has coordinates","191555","2020-10-21","18:00:00",""
"7227317","17.788","0.003","17.788","0.003","21.332","0.004","90","","90","","120","","5845.4","1.8","296","2","296","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C72 H60 N24 O24 Tb2 -","- C72 H60 N24 O24 Tb2 -","- C144 H120 N48 O48 Tb4 -","2","0.166667","","Zeng, Cheng-Hui; Luo, Zhixun; Yao, Jiannian","Porous hydrogen-bonded organic‒inorganic frameworks: weak interactions and selective dye filtration","CrystEngComm","2017","19","4","613","","10.1039/C6CE02367C","","","0.71073","MoKα","","0.0645","0.0605","","","0.1654","0.169","","","","","","1.035","","","","has coordinates","191555","2020-10-21","18:00:00",""
"7227324","12.5159","0.001","19.1864","0.0014","9.9596","0.0008","90","","94.649","0.003","90","","2383.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-poly-[bis-μ~4~-(((adamantane-1,3-diyl)‒di-(phen-4-yl))-di-(carboxylato-κO:κO'))‒bis-N,N-dimethylformamide-κO-dimanganese(II)]","","- C27 H29 Mn N O5 -","- C27 H29 Mn N O5 -","- C108 H116 Mn4 N4 O20 -","4","1","","Zhao, Tian; Heering, Christian; Boldog, Ishtvan; Domasevitch, Konstantin V.; Janiak, Christoph","A view on systematic truncation of tetrahedral ligands for coordination polymers","CrystEngComm","2017","19","5","776","","10.1039/C6CE02384C","","","0.71073","MoKα","","0.0706","0.0409","","","0.0877","0.1005","","","","","","1.015","","","","has coordinates","191573","2020-10-21","18:00:00",""
"7227325","11.0682","0.0004","13.5036","0.0005","14.6691","0.0005","70.055","0.002","79.314","0.002","87.896","0.002","2024.37","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","poly-[dimethylammonium μ~6~-(((adamantane-1,3,5-triyl)- -tri(phen-4-yl))-tri-(carboxylato-κ^2^O,O'))- -(N,N-dimethylformamide-κO)-cadmium(II)],solvate with N,N-dimethylformamide and water","","- C36 H44 Cd N2 O9 -","- C37.5 H25 Cd N1.5 O8.5 -","- C75 H50 Cd2 N3 O17 -","2","1","","Zhao, Tian; Heering, Christian; Boldog, Ishtvan; Domasevitch, Konstantin V.; Janiak, Christoph","A view on systematic truncation of tetrahedral ligands for coordination polymers","CrystEngComm","2017","19","5","776","","10.1039/C6CE02384C","","","0.71073","MoKα","","0.091","0.0713","","","0.2032","0.2217","","","","","","1.073","","","","has coordinates,has disorder","191573","2020-10-21","18:00:00",""
"7227326","17.335","0.003","17.748","0.002","19.551","0.003","90","","90","","90","","6015.1","1.5","296","2","296","2","","","","","","","","4","I m m a","-I 2b 2","74","","catena-[ bis(dimethylammonium) μ~8~-(((adamantane-1,3,5,7-tetrayl)‒tetra-(phen-4-yl))-tetracarboxylato)-manganese(II)]solvate with dimethylformamide and water","","- C38 H28 Mn O8 -","- C38 H28 Mn O8 -","- C152 H112 Mn4 O32 -","4","0.25","","Zhao, Tian; Heering, Christian; Boldog, Ishtvan; Domasevitch, Konstantin V.; Janiak, Christoph","A view on systematic truncation of tetrahedral ligands for coordination polymers","CrystEngComm","2017","19","5","776","","10.1039/C6CE02384C","","","0.71073","MoKα","","0.1334","0.0997","","","0.2883","0.3047","","","","","","0.944","","","","has coordinates","191573","2020-10-21","18:00:00",""
"7227331","30.2435","0.0005","9.4252","0.0002","18.2742","0.0003","90","","107.545","0.001","90","","4966.76","0.16","130","","130","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C80 H166 Br6 Cu2 N8 O12 -","- C80 H166 Br6 Cu2 N8 O12 -","- C160 H332 Br12 Cu4 N16 O24 -","2","0.5","","Yao, Junyao; Chen, Qibin; Sheng, Yujie; Kai, Aiting; Liu, Honglai","Reversible water uptake by a porous molecular crystal from metal complex of gemini surfactant","CrystEngComm","2017","19","5","802","","10.1039/C6CE02197B","","","1.54178","CuKα","","0.0633","0.0562","","","0.1537","0.1608","","","","","","1.025","","","","has coordinates","191572","2020-10-21","18:00:00",""
"7227332","18.6401","0.0005","18.6401","0.0005","39.748","0.0009","90","","90","","120","","11960.3","0.5","296","2","296","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","ZJU-12","","- C28 H18 Cu2 O12 -","- C28 H14 Cu2 O12 -","- C252 H126 Cu18 O108 -","9","0.25","","Duan, Xing; Cui, Yuanjing; Yang, Yu; Qian, Guodong","A novel methoxy-decorated metal‒organic framework exhibiting high acetylene and carbon dioxide storage capacities","CrystEngComm","2017","19","11","1464","","10.1039/C6CE02291J","","","0.71073","MoKα","","0.05","0.0405","","","0.1199","0.1239","","","","","","1.171","","","","has coordinates","195039","2020-10-21","18:00:00",""
"7227343","12.7248","0.0003","9.5216","0.0002","18.8321","0.0005","90","","90","","90","","2281.71","0.09","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N,N'-bis(isoquinolinecarboxamide)-1,6-hexane","","- C26 H26 N4 O2 -","- C26 H26 N4 O2 -","- C104 H104 N16 O8 -","4","0.5","","Parra, Nicole; Belmar, Julio B.; Jiménez, Claudio A.; Pasán, Jorge; Ruiz-Pérez, Catalina","Crystal structure analysis of supramolecular arrangements in bis(1-isoquinolinecarboxamide)alkanes and their Ag(i) complexes","CrystEngComm","2017","19","7","1076","","10.1039/C6CE02393B","","","1.54184","CuKα","","0.0527","0.0471","","","0.1358","0.1432","","","","","","1.064","","","","has coordinates","193763","2020-10-21","18:00:00",""
"7227344","7.5367","0.0003","8.3723","0.0003","19.4198","0.0007","88.709","0.003","82.328","0.003","89.464","0.003","1214.08","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","4b","","- C23 H22 Ag Cl N4 O7 -","- C23 H22 Ag Cl N4 O7 -","- C46 H44 Ag2 Cl2 N8 O14 -","2","1","","Parra, Nicole; Belmar, Julio B.; Jiménez, Claudio A.; Pasán, Jorge; Ruiz-Pérez, Catalina","Crystal structure analysis of supramolecular arrangements in bis(1-isoquinolinecarboxamide)alkanes and their Ag(i) complexes","CrystEngComm","2017","19","7","1076","","10.1039/C6CE02393B","","","1.54184","CuKα","","0.0362","0.0346","","","0.0946","0.0966","","","","","","1.035","","","","has coordinates,has disorder","193763","2020-10-21","18:00:00",""
"7227345","19.2319","0.0008","13.1155","0.0002","9.2503","0.0004","90","","128.558","0.006","90","","1824.56","0.19","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N,N'-bis(1-isoquinolinecarboxamide)-1,2-ethane","","- C22 H18 N4 O2 -","- C22 H18 N4 O2 -","- C88 H72 N16 O8 -","4","0.5","","Parra, Nicole; Belmar, Julio B.; Jiménez, Claudio A.; Pasán, Jorge; Ruiz-Pérez, Catalina","Crystal structure analysis of supramolecular arrangements in bis(1-isoquinolinecarboxamide)alkanes and their Ag(i) complexes","CrystEngComm","2017","19","7","1076","","10.1039/C6CE02393B","","","1.54184","CuKα","","0.0467","0.045","","","0.1138","0.1156","","","","","","1.104","","","","has coordinates","193763","2020-10-21","18:00:00",""
"7227346","8.2326","0.0001","12.4302","0.0002","9.8859","0.0002","90","","102.96","0.002","90","","985.88","0.03","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N'-bis(isoquinolinecarboxamide)-1,4-buthane","","- C24 H22 N4 O2 -","- C24 H22 N4 O2 -","- C48 H44 N8 O4 -","2","0.5","","Parra, Nicole; Belmar, Julio B.; Jiménez, Claudio A.; Pasán, Jorge; Ruiz-Pérez, Catalina","Crystal structure analysis of supramolecular arrangements in bis(1-isoquinolinecarboxamide)alkanes and their Ag(i) complexes","CrystEngComm","2017","19","7","1076","","10.1039/C6CE02393B","","","1.54184","CuKα","","0.0366","0.0348","","","0.0992","0.1012","","","","","","1.085","","","","has coordinates","193763","2020-10-21","18:00:00",""
"7227347","13.4447","0.0004","8.7623","0.0002","17.9862","0.0005","90","","90","","90","","2118.89","0.1","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","N,N'-bis(isoquinolinecarboxamide)-1,5-pentane","","- C25 H24 N4 O2 -","- C25 H24 N4 O2 -","- C100 H96 N16 O8 -","4","0.5","","Parra, Nicole; Belmar, Julio B.; Jiménez, Claudio A.; Pasán, Jorge; Ruiz-Pérez, Catalina","Crystal structure analysis of supramolecular arrangements in bis(1-isoquinolinecarboxamide)alkanes and their Ag(i) complexes","CrystEngComm","2017","19","7","1076","","10.1039/C6CE02393B","","","1.54184","CuKα","","0.0404","0.0371","","","0.104","0.1078","","","","","","1.074","","","","has coordinates","193763","2020-10-21","18:00:00",""
"7227348","9.2783","0.0003","11.1478","0.0004","13.0263","0.0006","100.674","0.003","101.046","0.004","91.916","0.003","1296.18","0.09","175","0.1","175","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C50 H54 Ag2 Cl2 N8 O15 -","- C50 H50 Ag2 Cl2 N8 O15 -","- C50 H50 Ag2 Cl2 N8 O15 -","1","0.5","","Parra, Nicole; Belmar, Julio B.; Jiménez, Claudio A.; Pasán, Jorge; Ruiz-Pérez, Catalina","Crystal structure analysis of supramolecular arrangements in bis(1-isoquinolinecarboxamide)alkanes and their Ag(i) complexes","CrystEngComm","2017","19","7","1076","","10.1039/C6CE02393B","","","1.54184","CuKα","","0.0334","0.0297","","","0.07","0.0732","","","","","","1.038","","","","has coordinates,has disorder","193763","2020-10-21","18:00:00",""
"7227349","7.7056","0.0002","14.8087","0.0003","21.2528","0.0006","90","","117.472","0.004","90","","2151.69","0.12","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Ag Cl N4 O6 -","- C22 H18 Ag Cl N4 O6 -","- C88 H72 Ag4 Cl4 N16 O24 -","4","1","","Parra, Nicole; Belmar, Julio B.; Jiménez, Claudio A.; Pasán, Jorge; Ruiz-Pérez, Catalina","Crystal structure analysis of supramolecular arrangements in bis(1-isoquinolinecarboxamide)alkanes and their Ag(i) complexes","CrystEngComm","2017","19","7","1076","","10.1039/C6CE02393B","","","1.54184","CuKα","","0.0355","0.0276","","","0.067","0.071","","","","","","1.03","","","","has coordinates","193763","2020-10-21","18:00:00",""
"7227350","22.6498","0.0007","9.4681","0.0003","13.4041","0.0003","90","","92.921","0.003","90","","2870.78","0.14","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C26 H26 Ag Cl N4 O6 -","- C26 H26 Ag Cl N4 O6 -","- C104 H104 Ag4 Cl4 N16 O24 -","4","1","","Parra, Nicole; Belmar, Julio B.; Jiménez, Claudio A.; Pasán, Jorge; Ruiz-Pérez, Catalina","Crystal structure analysis of supramolecular arrangements in bis(1-isoquinolinecarboxamide)alkanes and their Ag(i) complexes","CrystEngComm","2017","19","7","1076","","10.1039/C6CE02393B","","","1.54184","CuKα","","0.0539","0.0522","","","0.1434","0.1468","","","","","","1.072","","","","has coordinates,has disorder","193763","2020-10-21","18:00:00",""
"7227351","12.2945","0.0006","18.6277","0.0008","11.5504","0.0006","90","","90","","90","","2645.3","0.2","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","1f","","- C27 H28 Ag Cl N4 O6 -","- C27 H28 Ag Cl N4 O6 -","- C108 H112 Ag4 Cl4 N16 O24 -","4","0.5","","Parra, Nicole; Belmar, Julio B.; Jiménez, Claudio A.; Pasán, Jorge; Ruiz-Pérez, Catalina","Crystal structure analysis of supramolecular arrangements in bis(1-isoquinolinecarboxamide)alkanes and their Ag(i) complexes","CrystEngComm","2017","19","7","1076","","10.1039/C6CE02393B","","","1.54184","CuKα","","0.0659","0.062","","","0.1788","0.1849","","","","","","1.08","","","","has coordinates","193763","2020-10-21","18:00:00",""
"7227362","9.6638","0.0017","6.6901","0.0011","24.67","0.004","90","","99.732","0.008","90","","1572","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethenzamide-24Dihydroxybenzoic acid","","- C16 H16 N O6 -","- C16 H16 N O6 -","- C64 H64 N4 O24 -","4","1","","Sarmah, Kashyap Kumar; Boro, Kaveri; Arhangelskis, Mihails; Thakuria, Ranjit","Crystal structure landscape of ethenzamide: a physicochemical property study","CrystEngComm","2017","19","5","826","","10.1039/C6CE02057G","","","0.71073","MoKα","","0.0729","0.0449","","","0.136","0.1627","","","","","","1.044","","","","has coordinates,has disorder","191570","2020-10-21","18:00:00",""
"7227363","11.1756","0.0012","11.7633","0.0014","12.2009","0.0014","95.319","0.008","102.434","0.007","100.852","0.007","1523.4","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Ethenzamide-35Dihydroxybenzoicacid dihydrate","","- C30 H33 N O16 -","- C30 H31 N O16 -","- C60 H62 N2 O32 -","2","1","","Sarmah, Kashyap Kumar; Boro, Kaveri; Arhangelskis, Mihails; Thakuria, Ranjit","Crystal structure landscape of ethenzamide: a physicochemical property study","CrystEngComm","2017","19","5","826","","10.1039/C6CE02057G","","","0.71073","MoKα","","0.1767","0.0682","","","0.1688","0.2191","","","","","","0.957","","","","has coordinates","191570","2020-10-21","18:00:00",""
"7227364","14.9229","0.0008","18.9781","0.0013","21.8605","0.0014","90","","90","","90","","6191.1","0.7","296","2","296","2","","","","","","","","4","I b c a","-I 2b 2c","73","","Ethenzamide-35Dihydroxybenzoic acid","","- C16 H17 N O6 -","- C16 H17 N O6 -","- C256 H272 N16 O96 -","16","1","","Sarmah, Kashyap Kumar; Boro, Kaveri; Arhangelskis, Mihails; Thakuria, Ranjit","Crystal structure landscape of ethenzamide: a physicochemical property study","CrystEngComm","2017","19","5","826","","10.1039/C6CE02057G","","","0.71073","MoKα","","0.0802","0.0538","","","0.1428","0.1621","","","","","","1.041","","","","has coordinates","191570","2020-10-21","18:00:00",""
"7227365","15.539","0.002","7.4265","0.001","31.796","0.004","90","","90","","90","","3669.3","0.8","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ethenzamide Ferulic acid","","- C19 H21 N O6 -","- C19 H21 N O6 -","- C152 H168 N8 O48 -","8","1","","Sarmah, Kashyap Kumar; Boro, Kaveri; Arhangelskis, Mihails; Thakuria, Ranjit","Crystal structure landscape of ethenzamide: a physicochemical property study","CrystEngComm","2017","19","5","826","","10.1039/C6CE02057G","","","0.71073","MoKα","","0.1115","0.0511","","","0.1342","0.1617","","","","","","1.072","","","","has coordinates","191570","2020-10-21","18:00:00",""
"7227370","9.45444","0.00013","17.6795","0.0003","14.4839","0.0002","90","","93.4373","0.0013","90","","2416.63","0.06","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Glibenclamide","5-chloro-N-(4-[N-(cyclohexylcarbamoyl)sulfamoyl]phenethyl)-2-methoxybenzamide","","- C23 H28 Cl N3 O5 S -","- C23 H28 Cl N3 O5 S -","- C92 H112 Cl4 N12 O20 S4 -","4","1","","Suresh, Kuthuru; Khandavilli, U. B. Rao; Gunnam, Anilkumar; Nangia, Ashwini","Polymorphism, isostructurality and physicochemical properties of glibenclamide salts","CrystEngComm","2017","19","6","918","","10.1039/C6CE02295B","","","1.54184","CuKα","","0.0553","0.0504","","","0.1387","0.1458","","","","","","1.008","","","","has coordinates","193758","2020-10-21","18:00:00",""
"7227371","19.5991","0.0016","5.8086","0.0003","23.4722","0.0017","90","","108.746","0.008","90","","2530.4","0.3","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Glibenclamide-sodiumhydrate salt","5-chloro-N-(4-[N-(cyclohexylcarbamoyl)sulfamoyl]phenethyl)-2-methoxybenzamide-sodium-hydrate","","- C23 H27 Cl N3 Na O6 S -","- C23 H27 Cl N3 Na O6 S -","- C92 H108 Cl4 N12 Na4 O24 S4 -","4","1","","Suresh, Kuthuru; Khandavilli, U. B. Rao; Gunnam, Anilkumar; Nangia, Ashwini","Polymorphism, isostructurality and physicochemical properties of glibenclamide salts","CrystEngComm","2017","19","6","918","","10.1039/C6CE02295B","","","1.54184","CuKα","","0.1202","0.0844","","","0.2244","0.275","","","","","","1.044","","","","has coordinates","193758","2020-10-21","18:00:00",""
"7227372","19.718","0.004","6.1475","0.0011","21.732","0.005","90","","109.25","0.02","90","","2487","0.9","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Glibenclamide-ammonium salt","5-chloro-N-(4-[N-(cyclohexylcarbamoyl)sulfamoyl]phenethyl)-2-methoxybenzamide-ammonium","","- C23 H31 Cl N4 O5 S -","- C23 H31 Cl N4 O5 S -","- C92 H124 Cl4 N16 O20 S4 -","4","1","","Suresh, Kuthuru; Khandavilli, U. B. Rao; Gunnam, Anilkumar; Nangia, Ashwini","Polymorphism, isostructurality and physicochemical properties of glibenclamide salts","CrystEngComm","2017","19","6","918","","10.1039/C6CE02295B","","","0.71073","MoKα","","0.2463","0.0644","","","0.0682","0.0919","","","","","","0.77","","","","has coordinates","193758","2020-10-21","18:00:00",""
"7227373","10.9425","0.001","10.1583","0.0007","11.5023","0.0011","90","","91.164","0.009","90","","1278.3","0.19","298","2","298","2","","","","","","","","7","P 1 21 1","P 2yb","4","Glibenclamidesodium salt","5-chloro-N-(4-[N-(cyclohexylcarbamoyl)sulfamoyl]phenethyl)-2-methoxybenzamide-sodium","","- C23 H27 Cl N3 Na O5 S -","- C23 H27 Cl N3 Na O5 S -","- C46 H54 Cl2 N6 Na2 O10 S2 -","2","1","","Suresh, Kuthuru; Khandavilli, U. B. Rao; Gunnam, Anilkumar; Nangia, Ashwini","Polymorphism, isostructurality and physicochemical properties of glibenclamide salts","CrystEngComm","2017","19","6","918","","10.1039/C6CE02295B","","","1.54184","CuKα","","0.0867","0.0617","","","0.1366","0.1569","","","","","","1.069","","","","has coordinates","193758","2020-10-21","18:00:00",""
"7227374","19.819","0.004","6.2006","0.0009","21.636","0.005","90","","109.69","0.02","90","","2503.4","0.9","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Glibenclamide-potassium salt","5-chloro-N-(4-[N-(cyclohexylcarbamoyl)sulfamoyl]phenethyl)-2-methoxybenzamide-potassium","","- C23 H27 Cl K N3 O5 S -","- C23 H27 Cl K N3 O5 S -","- C92 H108 Cl4 K4 N12 O20 S4 -","4","1","","Suresh, Kuthuru; Khandavilli, U. B. Rao; Gunnam, Anilkumar; Nangia, Ashwini","Polymorphism, isostructurality and physicochemical properties of glibenclamide salts","CrystEngComm","2017","19","6","918","","10.1039/C6CE02295B","","","0.71073","MoKα","","0.1575","0.0832","","","0.2247","0.2568","","","","","","0.984","","","","has coordinates","193758","2020-10-21","18:00:00",""
"7227375","19.7594","0.0013","6.1759","0.0003","21.556","0.0015","90","","109.627","0.007","90","","2477.7","0.3","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Glibenclamidesodium salt","5-chloro-N-(4-[N-(cyclohexylcarbamoyl)sulfamoyl]phenethyl)-2-methoxybenzamide-sodium","","- C23 H27 Cl N3 Na O5 S -","- C23 H27 Cl N3 Na O5 S -","- C92 H108 Cl4 N12 Na4 O20 S4 -","4","1","","Suresh, Kuthuru; Khandavilli, U. B. Rao; Gunnam, Anilkumar; Nangia, Ashwini","Polymorphism, isostructurality and physicochemical properties of glibenclamide salts","CrystEngComm","2017","19","6","918","","10.1039/C6CE02295B","","","0.71073","MoKα","","0.1174","0.0834","","","0.2207","0.2495","","","","","","1.041","","","","has coordinates","193758","2020-10-21","18:00:00",""
"7227376","6.4396","0.0012","9.0583","0.0018","13.442","0.003","89.677","0.004","85.919","0.004","89.345","0.003","782","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H30 Cu N2 O24 Sm2 -","- C22 H30 Cu N2 O24 Sm2 -","- C22 H30 Cu N2 O24 Sm2 -","1","0.5","","Zhang, Ju-Wen; Li, Xiao-Li; Kan, Xiao-Min; Wu, Hao; Liu, Ying; Liu, Bin-Qiu","Syntheses, structures, and magnetic properties of two series of copper-lanthanide heterometallic coordination polymers based on pyridine-2,3-dicarboxylic acid and succinic acid","CrystEngComm","2017","19","4","661","","10.1039/C6CE02353C","","","0.71073","MoKα","","0.0435","0.036","","","0.0789","0.0816","","","","","","1.07","","","","has coordinates","191559","2020-10-21","18:00:00",""
"7227377","6.4157","0.0009","9.0257","0.0013","13.4267","0.0019","89.703","0.003","85.968","0.003","89.342","0.002","775.51","0.19","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H30 Cu Eu2 N2 O24 -","- C22 H30 Cu Eu2 N2 O24 -","- C22 H30 Cu Eu2 N2 O24 -","1","0.5","","Zhang, Ju-Wen; Li, Xiao-Li; Kan, Xiao-Min; Wu, Hao; Liu, Ying; Liu, Bin-Qiu","Syntheses, structures, and magnetic properties of two series of copper-lanthanide heterometallic coordination polymers based on pyridine-2,3-dicarboxylic acid and succinic acid","CrystEngComm","2017","19","4","661","","10.1039/C6CE02353C","","","0.71073","MoKα","","0.0427","0.0325","","","0.0667","0.0706","","","","","","1.022","","","","has coordinates","191559","2020-10-21","18:00:00",""
"7227378","6.4331","0.0006","9.0449","0.0008","13.4358","0.0012","89.788","0.002","85.905","0.002","89.405","0.002","779.74","0.12","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H30 Cu Gd2 N2 O24 -","- C22 H30 Cu Gd2 N2 O24 -","- C22 H30 Cu Gd2 N2 O24 -","1","0.5","","Zhang, Ju-Wen; Li, Xiao-Li; Kan, Xiao-Min; Wu, Hao; Liu, Ying; Liu, Bin-Qiu","Syntheses, structures, and magnetic properties of two series of copper-lanthanide heterometallic coordination polymers based on pyridine-2,3-dicarboxylic acid and succinic acid","CrystEngComm","2017","19","4","661","","10.1039/C6CE02353C","","","0.71073","MoKα","","0.0367","0.0307","","","0.0714","0.0739","","","","","","1.045","","","","has coordinates","191559","2020-10-21","18:00:00",""
"7227379","6.3914","0.0005","8.9902","0.0007","13.4028","0.001","89.716","0.002","85.997","0.002","89.332","0.002","768.19","0.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H30 Cu N2 O24 Tb2 -","- C22 H30 Cu N2 O24 Tb2 -","- C22 H30 Cu N2 O24 Tb2 -","1","0.5","","Zhang, Ju-Wen; Li, Xiao-Li; Kan, Xiao-Min; Wu, Hao; Liu, Ying; Liu, Bin-Qiu","Syntheses, structures, and magnetic properties of two series of copper-lanthanide heterometallic coordination polymers based on pyridine-2,3-dicarboxylic acid and succinic acid","CrystEngComm","2017","19","4","661","","10.1039/C6CE02353C","","","0.71073","MoKα","","0.0287","0.0248","","","0.0535","0.0549","","","","","","1.018","","","","has coordinates","191559","2020-10-21","18:00:00",""
"7227380","6.3769","0.0005","8.9671","0.0007","13.3816","0.001","89.736","0.001","85.988","0.001","89.368","0.001","763.26","0.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H30 Cu Dy2 N2 O24 -","- C22 H30 Cu Dy2 N2 O24 -","- C22 H30 Cu Dy2 N2 O24 -","1","0.5","","Zhang, Ju-Wen; Li, Xiao-Li; Kan, Xiao-Min; Wu, Hao; Liu, Ying; Liu, Bin-Qiu","Syntheses, structures, and magnetic properties of two series of copper-lanthanide heterometallic coordination polymers based on pyridine-2,3-dicarboxylic acid and succinic acid","CrystEngComm","2017","19","4","661","","10.1039/C6CE02353C","","","0.71073","MoKα","","0.0254","0.021","","","0.0452","0.0467","","","","","","1.046","","","","has coordinates","191559","2020-10-21","18:00:00",""
"7227381","6.3612","0.0004","8.9542","0.0005","13.3901","0.0008","89.708","0.001","86.066","0.001","89.343","0.001","760.84","0.08","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H30 Cu Er2 N2 O24 -","- C22 H30 Cu Er2 N2 O24 -","- C22 H30 Cu Er2 N2 O24 -","1","0.5","","Zhang, Ju-Wen; Li, Xiao-Li; Kan, Xiao-Min; Wu, Hao; Liu, Ying; Liu, Bin-Qiu","Syntheses, structures, and magnetic properties of two series of copper-lanthanide heterometallic coordination polymers based on pyridine-2,3-dicarboxylic acid and succinic acid","CrystEngComm","2017","19","4","661","","10.1039/C6CE02353C","","","0.71073","MoKα","","0.0238","0.021","","","0.0459","0.0468","","","","","","1.029","","","","has coordinates","191559","2020-10-21","18:00:00",""
"7227382","6.5822","0.0004","8.0601","0.0005","13.0454","0.0008","102.873","0.001","91.157","0.001","101.766","0.001","658.97","0.07","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 Cu Er2 N2 O18 -","- C22 H18 Cu Er2 N2 O18 -","- C22 H18 Cu Er2 N2 O18 -","1","0.5","","Zhang, Ju-Wen; Li, Xiao-Li; Kan, Xiao-Min; Wu, Hao; Liu, Ying; Liu, Bin-Qiu","Syntheses, structures, and magnetic properties of two series of copper-lanthanide heterometallic coordination polymers based on pyridine-2,3-dicarboxylic acid and succinic acid","CrystEngComm","2017","19","4","661","","10.1039/C6CE02353C","","","0.71073","MoKα","","0.0271","0.0236","","","0.0506","0.0519","","","","","","1.056","","","","has coordinates","191559","2020-10-21","18:00:00",""
"7227383","6.5746","0.0005","8.0495","0.0006","13.0264","0.0009","102.932","0.001","91.116","0.001","101.825","0.001","656.1","0.08","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 Cu N2 O18 Yb2 -","- C22 H18 Cu N2 O18 Yb2 -","- C22 H18 Cu N2 O18 Yb2 -","1","0.5","","Zhang, Ju-Wen; Li, Xiao-Li; Kan, Xiao-Min; Wu, Hao; Liu, Ying; Liu, Bin-Qiu","Syntheses, structures, and magnetic properties of two series of copper-lanthanide heterometallic coordination polymers based on pyridine-2,3-dicarboxylic acid and succinic acid","CrystEngComm","2017","19","4","661","","10.1039/C6CE02353C","","","0.71073","MoKα","","0.0266","0.0239","","","0.0617","0.0631","","","","","","0.996","","","","has coordinates","191559","2020-10-21","18:00:00",""
"7227384","6.5663","0.0004","8.0384","0.0005","13.0187","0.0008","102.924","0.001","91.179","0.001","101.852","0.001","653.88","0.07","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 Cu Lu2 N2 O18 -","- C22 H18 Cu Lu2 N2 O18 -","- C22 H18 Cu Lu2 N2 O18 -","1","0.5","","Zhang, Ju-Wen; Li, Xiao-Li; Kan, Xiao-Min; Wu, Hao; Liu, Ying; Liu, Bin-Qiu","Syntheses, structures, and magnetic properties of two series of copper-lanthanide heterometallic coordination polymers based on pyridine-2,3-dicarboxylic acid and succinic acid","CrystEngComm","2017","19","4","661","","10.1039/C6CE02353C","","","0.71073","MoKα","","0.0236","0.02","","","0.0431","0.0443","","","","","","1.037","","","","has coordinates","191559","2020-10-21","18:00:00",""
"7227400","10.5437","0.0003","10.6658","0.0004","11.1228","0.0004","86.656","0.003","71.241","0.003","82.672","0.003","1174.52","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H30 N3 O5 P -","- C24 H30 N3 O5 P -","- C48 H60 N6 O10 P2 -","2","1","","Sharma, Kamna; Kalita, Alok Ch.; Murugavel, Ramaswamy","Five different pseudo-polymorphs of 4-aminoarylphosphate: supramolecular aggregation in organophosphates","CrystEngComm","2017","19","7","1058","","10.1039/C6CE02215D","","","0.71073","MoKα","","0.0833","0.0751","","","0.1925","0.2047","","","","","","1.042","","","","has coordinates","193767","2020-10-21","18:00:00",""
"7227401","8.9355","0.0003","9.377","0.0003","9.3907","0.0002","93.415","0.002","92.982","0.002","103.905","0.003","760.63","0.04","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H20 N O6 P -","- C13 H20 N O6 P -","- C26 H40 N2 O12 P2 -","2","1","","Sharma, Kamna; Kalita, Alok Ch.; Murugavel, Ramaswamy","Five different pseudo-polymorphs of 4-aminoarylphosphate: supramolecular aggregation in organophosphates","CrystEngComm","2017","19","7","1058","","10.1039/C6CE02215D","","","0.71073","MoKα","","0.0332","0.0318","","","0.087","0.0882","","","","","","1.051","","","","has coordinates","193767","2020-10-21","18:00:00",""
"7227402","14.0712","0.0003","7.6213","0.0002","15.6474","0.0004","90","","109.97","0.002","90","","1577.14","0.07","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H22 N O7 P -","- C13 H22 N O7 P -","- C52 H88 N4 O28 P4 -","4","1","","Sharma, Kamna; Kalita, Alok Ch.; Murugavel, Ramaswamy","Five different pseudo-polymorphs of 4-aminoarylphosphate: supramolecular aggregation in organophosphates","CrystEngComm","2017","19","7","1058","","10.1039/C6CE02215D","","","1.54184","CuKα","","0.04","0.037","","","0.0985","0.1006","","","","","","1.057","","","","has coordinates","193767","2020-10-21","18:00:00",""
"7227403","10.145","0.003","10.145","0.003","31.351","0.011","90","","90","","90","","3226.7","1.8","150","2","150","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C14 H22 N O5 P -","- C14 H22 N O5 P -","- C112 H176 N8 O40 P8 -","8","1","","Sharma, Kamna; Kalita, Alok Ch.; Murugavel, Ramaswamy","Five different pseudo-polymorphs of 4-aminoarylphosphate: supramolecular aggregation in organophosphates","CrystEngComm","2017","19","7","1058","","10.1039/C6CE02215D","","","0.71075","MoKα","","0.0613","0.0548","","","0.1045","0.1077","","","","","","1.087","","","","has coordinates","193767","2020-10-21","18:00:00",""
"7227404","13.2233","0.0004","13.8858","0.0006","14.518","0.0009","84.034","0.004","80.465","0.004","80.694","0.003","2586.1","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H63 F3 N3 O16 P3 S -","- C37 H63 F3 N3 O16 P3 S -","- C74 H126 F6 N6 O32 P6 S2 -","2","1","","Sharma, Kamna; Kalita, Alok Ch.; Murugavel, Ramaswamy","Five different pseudo-polymorphs of 4-aminoarylphosphate: supramolecular aggregation in organophosphates","CrystEngComm","2017","19","7","1058","","10.1039/C6CE02215D","","","0.71073","MoKα","","0.0719","0.0554","","","0.1399","0.1515","","","","","","1.017","","","","has coordinates,has disorder","193767","2020-10-21","18:00:00",""
"7227405","18.824","0.011","34.1","0.02","16.321","0.011","90","","91.078","0.011","90","","10475","11","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H62 N3 O13 P3 -","- C36 H62 N3 O13 P3 -","- C288 H496 N24 O104 P24 -","8","1","","Sharma, Kamna; Kalita, Alok Ch.; Murugavel, Ramaswamy","Five different pseudo-polymorphs of 4-aminoarylphosphate: supramolecular aggregation in organophosphates","CrystEngComm","2017","19","7","1058","","10.1039/C6CE02215D","","","0.71075","MoKα","","0.1222","0.0912","","","0.2416","0.271","","","","","","1.1","","","","has coordinates,has disorder","193767","2020-10-21","18:00:00",""
"7227406","8.163","0.0008","21.2184","0.0019","11.3124","0.001","90","","102.267","0.009","90","","1914.6","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H28 N O5 P S -","- C15 H28 N O5 P S -","- C60 H112 N4 O20 P4 S4 -","4","1","","Sharma, Kamna; Kalita, Alok Ch.; Murugavel, Ramaswamy","Five different pseudo-polymorphs of 4-aminoarylphosphate: supramolecular aggregation in organophosphates","CrystEngComm","2017","19","7","1058","","10.1039/C6CE02215D","","","0.71073","MoKα","","0.1457","0.0881","","","0.1893","0.2271","","","","","","1.04","","","","has coordinates","193767","2020-10-21","18:00:00",""
"7227407","11.778","0.003","14.601","0.004","16.488","0.004","90","","103.452","0.004","90","","2757.7","1.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H21 N O4.5 P -","- C12 H21 N O4.5 P -","- C96 H168 N8 O36 P8 -","8","2","","Sharma, Kamna; Kalita, Alok Ch.; Murugavel, Ramaswamy","Five different pseudo-polymorphs of 4-aminoarylphosphate: supramolecular aggregation in organophosphates","CrystEngComm","2017","19","7","1058","","10.1039/C6CE02215D","","","0.71075","MoKα","","0.0361","0.0323","","","0.0811","0.0837","","","","","","1.085","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7227408","8.455","0.0017","13.485","0.003","14.017","0.003","115.54","0.03","95.02","0.03","94.99","0.03","1422.6","0.7","153.15","","153.15","","","","","","","","","5","P -1","-P 1","2","","","","- C50 H64 N8 O22 Zn4 -","- C50 H64 N8 O22 Zn4 -","- C50 H64 N8 O22 Zn4 -","1","0.5","","Xu, Guohong; Tang, Bei-bei; Hao, Liang; Liu, Gui-lei; Li, Hui","Ligand-dependent assembly of dinuclear, linear tetranuclear and one-dimensional Zn(ii) complexes with an aroylhydrazone Schiff base","CrystEngComm","2017","19","5","781","","10.1039/C6CE02292H","","","0.71073","MoKα","","0.0429","0.0325","","","0.0755","0.0804","","","","","","1.027","","","","has coordinates","191567","2020-10-21","18:00:00",""
"7227409","8.874","0.0018","9.5171","0.0018","11.986","0.002","84.921","0.003","85.114","0.004","74.714","0.004","970.6","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H30 N6 O15 Zn2 -","- C33 H30 N6 O15 Zn2 -","- C33 H30 N6 O15 Zn2 -","1","0.5","","Xu, Guohong; Tang, Bei-bei; Hao, Liang; Liu, Gui-lei; Li, Hui","Ligand-dependent assembly of dinuclear, linear tetranuclear and one-dimensional Zn(ii) complexes with an aroylhydrazone Schiff base","CrystEngComm","2017","19","5","781","","10.1039/C6CE02292H","","","0.71073","MoKα","","0.1381","0.0845","","","0.2257","0.3312","","","","","","1.171","","","","has coordinates","191567","2020-10-21","18:00:00",""
"7227410","38.142","0.008","11.411","0.002","29.647","0.006","90","","129.94","0.03","90","","9893","5","153.15","","153.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H44 N6 O21 S Zn4 -","- C42 H44 N6 O21 S Zn4 -","- C336 H352 N48 O168 S8 Zn32 -","8","1","","Xu, Guohong; Tang, Bei-bei; Hao, Liang; Liu, Gui-lei; Li, Hui","Ligand-dependent assembly of dinuclear, linear tetranuclear and one-dimensional Zn(ii) complexes with an aroylhydrazone Schiff base","CrystEngComm","2017","19","5","781","","10.1039/C6CE02292H","","","0.71073","MoKα","","0.0931","0.073","","","0.2008","0.2215","","","","","","1.061","","","","has coordinates","191567","2020-10-21","18:00:00",""
"7227411","7.82","0.004","18.768","0.009","25.836","0.012","80.419","0.016","82.135","0.019","83.58","0.03","3688","3","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C127 H105 Ag4 B4 F16 N19 O10 S8 -","- C127 H105 Ag4 B4 F16 N19 O10 S8 -","- C127 H105 Ag4 B4 F16 N19 O10 S8 -","1","0.5","","Bullock, Samantha J.; Davidson, Francesca S.; Faulkner, Robert A.; Parkes, Gareth M. B.; Rice, Craig R.; Towns-Andrews, Liz","Control of metallo-supramolecular assemblies via steric, hydrogen bonding and argentophilic interactions; formation of a 3-dimensional polymer of circular helicates","CrystEngComm","2017","19","9","1273","","10.1039/C6CE02589G","","","0.71073","MoKα","","0.0961","0.0588","","","0.1467","0.164","","","","","","1.0362","","","","has coordinates,has disorder","193771","2020-10-21","18:00:00",""
"7227412","26.047","0.0011","26.047","0.0011","41.751","0.002","90","","90","","120","","24530.9","1.9","150","2","150","","","","","","","","","8","R -3 c","-R 3 2""c","167","","","","- C144 H108 Ag6 B5 F20 N24 O6 S12 -","- C144 H108 Ag6 B5 F20 N24 O6 S12 -","- C864 H648 Ag36 B30 F120 N144 O36 S72 -","6","","","Bullock, Samantha J.; Davidson, Francesca S.; Faulkner, Robert A.; Parkes, Gareth M. B.; Rice, Craig R.; Towns-Andrews, Liz","Control of metallo-supramolecular assemblies via steric, hydrogen bonding and argentophilic interactions; formation of a 3-dimensional polymer of circular helicates","CrystEngComm","2017","19","9","1273","","10.1039/C6CE02589G","","","0.71073","MoKα","","0.0983","0.0547","","","0.1432","0.1697","","","","","","1.0586","","","","has coordinates","193771","2020-10-21","18:00:00",""
"7227413","7.5797","0.0002","10.6965","0.0003","17.3538","0.0005","103.551","0.001","101.676","0.001","90.482","0.001","1337.2","0.06","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H34 Ag2 Cl8 N8 O10 S4 -","- C48 H34 Ag2 Cl8 N8 O10 S4 -","- C48 H34 Ag2 Cl8 N8 O10 S4 -","1","0.5","","Bullock, Samantha J.; Davidson, Francesca S.; Faulkner, Robert A.; Parkes, Gareth M. B.; Rice, Craig R.; Towns-Andrews, Liz","Control of metallo-supramolecular assemblies via steric, hydrogen bonding and argentophilic interactions; formation of a 3-dimensional polymer of circular helicates","CrystEngComm","2017","19","9","1273","","10.1039/C6CE02589G","","","0.71073","MoKα","","0.0705","0.0492","","","0.1297","0.1424","","","","","","1.068","","","","has coordinates","193771","2020-10-21","18:00:00",""
"7227433","18.788","0.004","8.43","0.0017","18.868","0.004","90","","115.53","0.03","90","","2696.6","1.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H32 N2 Ni O5 -","- C32 H32 N2 Ni O5 -","- C128 H128 N8 Ni4 O20 -","4","1","","Lee, Jae Hwa; Park, Sungbin; Jeoung, Sungeun; Moon, Hoi Ri","Single-crystal-to-single-crystal transformation of a coordination polymer from 2D to 3D by [2+2] photodimerization assisted with a coexisting flexible ligand","CrystEngComm","2017","","","","","10.1039/C6CE02652D","","","0.63","synchrotron","","0.0683","0.0406","","","0.1008","0.1107","","","","","","0.975","","","","has coordinates","190572","2020-10-21","18:00:00",""
"7227434","21.313","0.004","8.508","0.0017","30.83","0.006","90","","94.27","0.03","90","","5574.9","1.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H64 N4 Ni2 O10 -","- C64 H64 N4 Ni2 O10 -","- C256 H256 N16 Ni8 O40 -","4","1","","Lee, Jae Hwa; Park, Sungbin; Jeoung, Sungeun; Moon, Hoi Ri","Single-crystal-to-single-crystal transformation of a coordination polymer from 2D to 3D by [2+2] photodimerization assisted with a coexisting flexible ligand","CrystEngComm","2017","","","","","10.1039/C6CE02652D","","","0.7","synchrotron","","0.1578","0.0774","","","0.2061","0.25","","","","","","1.01","","","","has coordinates,has disorder","190572","2020-10-21","18:00:00",""
"7227435","18.732","0.004","8.404","0.0017","18.827","0.004","90","","115.03","0.03","90","","2685.5","1.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H32 N2 Ni O5 -","- C32 H32 N2 Ni O5 -","- C128 H128 N8 Ni4 O20 -","4","1","","Lee, Jae Hwa; Park, Sungbin; Jeoung, Sungeun; Moon, Hoi Ri","Single-crystal-to-single-crystal transformation of a coordination polymer from 2D to 3D by [2+2] photodimerization assisted with a coexisting flexible ligand","CrystEngComm","2017","","","","","10.1039/C6CE02652D","","","0.65","synchrotron","","0.1407","0.0629","","","0.162","0.1917","","","","","","1.076","","","","has coordinates,has disorder","190572","2020-10-21","18:00:00",""
"7227436","13.4938","0.0004","8.7231","0.0003","22.5819","0.0006","90","","95.3654","0.0011","90","","2646.42","0.14","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H26 Mn N5 O7 -","- C27 H26 Mn N5 O7 -","- C108 H104 Mn4 N20 O28 -","4","1","","Ako, Ayuk M.; Hawes, Chris S.; Twamley, Brendan; Schmitt, Wolfgang","Facile adaptation of 1D Mn(ii) chain motifs to form 3D azo-pyridine-based coordination polymers","CrystEngComm","2017","19","6","994","","10.1039/C6CE02493A","","","0.71073","MoKα","","0.0383","0.0312","","","0.0805","0.0846","","","","","","1.052","","","","has coordinates,has disorder","193759","2020-10-21","18:00:00",""
"7227437","7.4909","0.0002","11.8073","0.0004","24.3162","0.0008","90","","90","","90","","2150.7","0.12","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H18 Mn N8 O8 -","- C14 H18 Mn N8 O8 -","- C56 H72 Mn4 N32 O32 -","4","1","","Ako, Ayuk M.; Hawes, Chris S.; Twamley, Brendan; Schmitt, Wolfgang","Facile adaptation of 1D Mn(ii) chain motifs to form 3D azo-pyridine-based coordination polymers","CrystEngComm","2017","19","6","994","","10.1039/C6CE02493A","","","0.71073","MoKα","","0.0452","0.0421","","","0.1113","0.1133","","","","","","1.097","","","","has coordinates","193759","2020-10-21","18:00:00",""
"7227438","9.1567","0.0004","10.545","0.0005","14.0966","0.0006","90","","97.5786","0.0007","90","","1349.24","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 Ag2 Mn N12 -","- C24 H16 Ag2 Mn N12 -","- C48 H32 Ag4 Mn2 N24 -","2","0.5","","Ako, Ayuk M.; Hawes, Chris S.; Twamley, Brendan; Schmitt, Wolfgang","Facile adaptation of 1D Mn(ii) chain motifs to form 3D azo-pyridine-based coordination polymers","CrystEngComm","2017","19","6","994","","10.1039/C6CE02493A","","","0.71073","MoKα","","0.0145","0.0135","","","0.034","0.0344","","","","","","1.058","","","","has coordinates","193759","2020-10-21","18:00:00",""
"7227451","5.4625","0.0004","6.5901","0.0006","29.293","0.003","90","","90.889","0.006","90","","1054.37","0.16","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 Co3 O10 P2 -","- C18 H20 Co3 O10 P2 -","- C36 H40 Co6 O20 P4 -","2","0.5","","Du, Zi-Yi; Zhang, Ling; Wang, Bao-Ying; Liu, Sui-Jun; Huang, Bo; Liu, Cai-Ming; Zhang, Wei-Xiong","Two magnetic Δ-chain-based Mn(ii) and Co(ii) coordination polymers with mixed carboxylate‒phosphinate and μ3-OH− bridges","CrystEngComm","2017","19","7","1052","","10.1039/C6CE02537D","","","0.71073","MoKα","","0.0604","0.0414","","","0.083","0.0897","","","","","","1.04","","","","has coordinates","193761","2020-10-21","18:00:00",""
"7227452","5.6315","0.0004","6.7154","0.0005","29.169","0.003","90","","91.174","0.006","90","","1102.88","0.16","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 Mn3 O10 P2 -","- C18 H20 Mn3 O10 P2 -","- C36 H40 Mn6 O20 P4 -","2","0.5","","Du, Zi-Yi; Zhang, Ling; Wang, Bao-Ying; Liu, Sui-Jun; Huang, Bo; Liu, Cai-Ming; Zhang, Wei-Xiong","Two magnetic Δ-chain-based Mn(ii) and Co(ii) coordination polymers with mixed carboxylate‒phosphinate and μ3-OH− bridges","CrystEngComm","2017","19","7","1052","","10.1039/C6CE02537D","","","0.71073","MoKα","","0.1072","0.0885","","","0.1932","0.2018","","","","","","1.083","","","","has coordinates","193761","2020-10-21","18:00:00",""
"7227476","16.8878","0.0011","13.8408","0.0013","14.4153","0.0013","90","","109.557","0.002","90","","3175.1","0.5","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C73 H49 B2 Cl3 F4 N10 O4 -","- C73 H49 B2 Cl3 F4 N10 O4 -","- C146 H98 B4 Cl6 F8 N20 O8 -","2","0.5","","Mazel, Antoine; Baudron, Stéphane A.; Hosseini, Mir Wais","AzaBODIPY based coordination polymers","CrystEngComm","2017","19","6","897","","10.1039/C6CE02582J","","","0.71073","MoKα","","0.1405","0.0761","","","0.1762","0.2059","","","","","","1.039","","","","has coordinates","193757","2020-10-21","18:00:00",""
"7227477","14.4266","0.0005","16.319","0.0006","27.6414","0.0011","90","","90","","90","","6507.6","0.4","173","2","173","2","","","","","","","","7","P n n a","-P 2a 2bc","52","","","","- C148 H104 Ag2 B6 F16 N20 O9 -","- C148 H96 Ag2 B6 F16 N20 O9 -","- C296 H192 Ag4 B12 F32 N40 O18 -","2","0.25","","Mazel, Antoine; Baudron, Stéphane A.; Hosseini, Mir Wais","AzaBODIPY based coordination polymers","CrystEngComm","2017","19","6","897","","10.1039/C6CE02582J","","","0.71073","MoKα","","0.1281","0.0635","","","0.1782","0.2147","","","","","","1.054","","","","has coordinates","193757","2020-10-21","18:00:00",""
"7227478","9.1444","0.0008","12.27","0.0008","13.4648","0.001","110.287","0.002","95.118","0.003","90.687","0.003","1409.92","0.19","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H25 N5 O2 -","- C36 H25 N5 O2 -","- C72 H50 N10 O4 -","2","1","","Mazel, Antoine; Baudron, Stéphane A.; Hosseini, Mir Wais","AzaBODIPY based coordination polymers","CrystEngComm","2017","19","6","897","","10.1039/C6CE02582J","","","0.71073","MoKα","","0.1637","0.077","","","0.1371","0.1643","","","","","","1.036","","","","has coordinates","193757","2020-10-21","18:00:00",""
"7227479","29.311","0.0013","15.3218","0.0005","18.7508","0.0007","90","","110.666","0.003","90","","7879.1","0.5","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H24 Ag B2 F6 N5 O2 -","- C36 H24 Ag B2 F6 N5 O2 -","- C288 H192 Ag8 B16 F48 N40 O16 -","8","1","","Mazel, Antoine; Baudron, Stéphane A.; Hosseini, Mir Wais","AzaBODIPY based coordination polymers","CrystEngComm","2017","19","6","897","","10.1039/C6CE02582J","","","0.71073","MoKα","","0.0843","0.0532","","","0.16","0.1822","","","","","","1.042","","","","has coordinates,has disorder","193757","2020-10-21","18:00:00",""
"7227480","16.9698","0.0008","12.9677","0.0007","13.8541","0.0008","90","","108.953","0.002","90","","2883.4","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 B F2 N5 O2 -","- C36 H24 B F2 N5 O2 -","- C144 H96 B4 F8 N20 O8 -","4","1","","Mazel, Antoine; Baudron, Stéphane A.; Hosseini, Mir Wais","AzaBODIPY based coordination polymers","CrystEngComm","2017","19","6","897","","10.1039/C6CE02582J","","","0.71073","MoKα","","0.1289","0.0642","","","0.1339","0.1576","","","","","","1.032","","","","has coordinates","193757","2020-10-21","18:00:00",""
"7227486","9.5976","0.0005","11.9814","0.0009","21.8713","0.0011","90","","100.945","0.004","90","","2469.3","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H34 Cl3 Cu K O9 -","- C16 H34 Cl3 Cu K O9 -","- C64 H136 Cl12 Cu4 K4 O36 -","4","1","","van Well, Natalija; Bolte, Michael; Delley, Bernard; Wolf, Bernd; Lang, Michael; Schefer, Jürg; Rüegg, Christian; Assmus, Wolf; Krellner, Cornelius","Interplay between structure and magnetism in the low-dimensional spin system: K(C8H16O4)2CuCl3·H2O","CrystEngComm","2017","19","7","1028","","10.1039/C6CE02331B","","","0.71073","MoKα","","0.0575","0.0515","","","0.1245","0.1282","","","","","","1.061","","","","has coordinates","211177","2020-10-21","18:00:00",""
"7227487","49.6795","0.0009","49.6795","0.0009","23.7404","0.0008","90","","90","","120","","50743","2","173","2","173","","","","","","","","","7","R -3","-R 3","148","","","","- C24 H45 N12 Ni2 O42 Si W11 -","- C24 H37 N12 Ni2 O40 Si W11 -","- C432 H666 N216 Ni36 O720 Si18 W198 -","18","","","Jiao, Yan-Qing; Li, Meng-Ting; Qin, Chao; Su, Zhong-Min","A noncovalently connected metal‒organic framework assembled from a Ni(iii)-supported polyoxometalate‒imidazolate hybrid","CrystEngComm","2017","19","13","1721","","10.1039/C6CE02420C","","","0.71073","MoKα","","0.0531","0.0379","","","0.1015","0.1077","","","","","","1.116","","","","has coordinates,has disorder","195022","2020-10-21","18:00:00",""
"7227513","11.9096","0.001","5.5828","0.0004","17.2361","0.0015","90","","102.291","0.009","90","","1119.74","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Picolinic acid : Nicotinamide","","- C12 H11 N3 O3 -","- C12 H11 N3 O3 -","- C48 H44 N12 O12 -","4","1","","Ganduri, Ramesh; Cherukuvada, Suryanarayan; Sarkar, Sounak; Guru Row, Tayur N.","Manifestation of cocrystals and eutectics among structurally related molecules: towards understanding the factors that control their formation","CrystEngComm","2017","19","7","1123","","10.1039/C6CE02003H","","","0.71073","MoKα","","0.0886","0.0704","","","0.1707","0.179","","","","","","1.138","","","","has coordinates","193766","2020-10-21","18:00:00",""
"7227514","6.9822","0.0004","7.1747","0.0005","12.7208","0.0009","76.298","0.006","83.08","0.005","69.036","0.006","577.68","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Picolinic acid : Isonicotinamide","","- C12 H11 N3 O3 -","- C12 H11 N3 O3 -","- C24 H22 N6 O6 -","2","1","","Ganduri, Ramesh; Cherukuvada, Suryanarayan; Sarkar, Sounak; Guru Row, Tayur N.","Manifestation of cocrystals and eutectics among structurally related molecules: towards understanding the factors that control their formation","CrystEngComm","2017","19","7","1123","","10.1039/C6CE02003H","","","0.71073","MoKα","","0.0718","0.0499","","","0.1145","0.1295","","","","","","1.05","","","","has coordinates","193766","2020-10-21","18:00:00",""
"7227515","26.886","0.003","10.6027","0.0018","16.7359","0.0018","90","","119.293","0.002","90","","4160.8","1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","S3","","","- C24 H23 N3 O S -","- C24 H23 N3 O S -","- C192 H184 N24 O8 S8 -","8","1","","Fang, Wenyan; Zhang, Yuyang; Zhang, Gaobin; Kong, Lin; Yang, Longmei; Yang, Jiaxiang","Multi-stimuli-responsive fluorescence of a highly emissive difluoroboron complex in both solution and solid states","CrystEngComm","2017","19","9","1294","","10.1039/C6CE02376B","","","0.71073","MoKα","","0.053","0.0396","","","0.1093","0.1184","","","","","","1.074","","","","has coordinates","193770","2020-10-21","18:00:00",""
"7227516","6.5","0.007","26.53","0.03","12.8","0.013","90","","104.287","0.014","90","","2139","4","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","22","","- C24 H22 B F2 N3 O S -","- C24 H22 B F2 N3 O S -","- C96 H88 B4 F8 N12 O4 S4 -","4","1","","Fang, Wenyan; Zhang, Yuyang; Zhang, Gaobin; Kong, Lin; Yang, Longmei; Yang, Jiaxiang","Multi-stimuli-responsive fluorescence of a highly emissive difluoroboron complex in both solution and solid states","CrystEngComm","2017","19","9","1294","","10.1039/C6CE02376B","","","0.71073","MoKα","","0.1108","0.0766","","","0.2161","0.2566","","","","","","0.977","","","","has coordinates","193770","2020-10-21","18:00:00",""
"7227517","6.025","0.018","6.025","0.018","26.95","0.08","90","","90","","90","","978","5","173","","173","","","","","","","","","5","I 41/a m d","-I 4bd 2","141","","","","- C6 H4 Co N6 O4 -","- C6 H4 Co N6 O4 -","- C24 H16 Co4 N24 O16 -","4","","","Orsi, Angelica; Price, David J.; Kahr, Jürgen; Pillai, Renjith S.; Sneddon, Scott; Cao, Shuai; Benoit, Virginie; Łozińska, Magdalena M.; Cordes, David B.; Slawin, Alexandra M. Z.; Llewellyn, Philip L.; Casely, Ian; Ashbrook, Sharon E.; Maurin, Guillaume; Wright, Paul A.","Porous zinc and cobalt 2-nitroimidazolate frameworks with six-membered ring windows and a layered cobalt 2-nitroimidazolate polymorph","CrystEngComm","2017","19","10","1377","","10.1039/C6CE02476A","","","1.54187","CuKα","","0.1173","0.0977","","","0.2787","0.2973","","","","","","1.205","","","","has coordinates","195019","2020-10-21","18:00:00",""
"7227518","8.462","0.008","14.549","0.015","18.799","0.018","90","","90","","90","","2314","4","173","2","173","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C6 H4 N6 O4 Zn -","- C6 H4 N6 O4 Zn -","- C48 H32 N48 O32 Zn8 -","8","1","","Orsi, Angelica; Price, David J.; Kahr, Jürgen; Pillai, Renjith S.; Sneddon, Scott; Cao, Shuai; Benoit, Virginie; Łozińska, Magdalena M.; Cordes, David B.; Slawin, Alexandra M. Z.; Llewellyn, Philip L.; Casely, Ian; Ashbrook, Sharon E.; Maurin, Guillaume; Wright, Paul A.","Porous zinc and cobalt 2-nitroimidazolate frameworks with six-membered ring windows and a layered cobalt 2-nitroimidazolate polymorph","CrystEngComm","2017","19","10","1377","","10.1039/C6CE02476A","","","1.54187","CuKα","","0.1007","0.0942","","","0.1976","0.2008","","","","","","1.376","","","","has coordinates,has disorder","195019","2020-10-21","18:00:00",""
"7227533","9.8803","0.0002","24.2747","0.0005","10.4047","0.0002","90","","114.042","0.001","90","","2278.99","0.08","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H26 N8 O7 S2 Zn -","- C12 H26 N8 O7 S2 Zn -","- C48 H104 N32 O28 S8 Zn4 -","4","1","","González-García, Cristina; Mendiola, M. Antonia; Perles, Josefina; López-Torres, Elena","Structural diversity and supramolecular architectures of Zn(ii), Cu(ii) and Ni(ii) complexes by selective control of the degree of deprotonation of diacetyl bis(4-isopropyl-3-thiosemicarbazone)","CrystEngComm","2017","19","7","1035","","10.1039/C6CE02488B","","","0.71073","MoKα","","0.0413","0.0306","","","0.0841","0.0966","","","","","","1.098","","","","has coordinates","193764","2020-10-21","18:00:00",""
"7227534","14.7144","0.0006","7.0324","0.0003","21.4403","0.0008","90","","90","","90","","2218.59","0.15","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C14 H28 N6 Ni O S3 -","- C14 H19 N6 Ni O S3 -","- C56 H76 N24 Ni4 O4 S12 -","4","0.5","","González-García, Cristina; Mendiola, M. Antonia; Perles, Josefina; López-Torres, Elena","Structural diversity and supramolecular architectures of Zn(ii), Cu(ii) and Ni(ii) complexes by selective control of the degree of deprotonation of diacetyl bis(4-isopropyl-3-thiosemicarbazone)","CrystEngComm","2017","19","7","1035","","10.1039/C6CE02488B","","","0.71073","MoKα","","0.0943","0.0484","","","0.1373","0.1795","","","","","","1.094","","","","has coordinates,has disorder","193764","2020-10-21","18:00:00",""
"7227535","8.6284","0.0004","10.0416","0.0004","11.2867","0.0005","74.662","0.002","69.52","0.002","89.89","0.002","879.02","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H44 N12 S4 Zn2 -","- C24 H44 N12 S4 Zn2 -","- C24 H44 N12 S4 Zn2 -","1","0.5","","González-García, Cristina; Mendiola, M. Antonia; Perles, Josefina; López-Torres, Elena","Structural diversity and supramolecular architectures of Zn(ii), Cu(ii) and Ni(ii) complexes by selective control of the degree of deprotonation of diacetyl bis(4-isopropyl-3-thiosemicarbazone)","CrystEngComm","2017","19","7","1035","","10.1039/C6CE02488B","","","0.71073","MoKα","","0.0372","0.0342","","","0.0954","0.0989","","","","","","1.049","","","","has coordinates","193764","2020-10-21","18:00:00",""
"7227536","9.0012","0.0004","11.2753","0.0004","12.1281","0.0005","94.572","0.002","105.603","0.002","112.913","0.002","1068.14","0.08","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H29 Cu N7 O S2 -","- C15 H29 Cu N7 O S2 -","- C30 H58 Cu2 N14 O2 S4 -","2","1","","González-García, Cristina; Mendiola, M. Antonia; Perles, Josefina; López-Torres, Elena","Structural diversity and supramolecular architectures of Zn(ii), Cu(ii) and Ni(ii) complexes by selective control of the degree of deprotonation of diacetyl bis(4-isopropyl-3-thiosemicarbazone)","CrystEngComm","2017","19","7","1035","","10.1039/C6CE02488B","","","0.71073","MoKα","","0.0415","0.0308","","","0.0806","0.0966","","","","","","1.146","","","","has coordinates","193764","2020-10-21","18:00:00",""
"7227537","9.8527","0.0003","14.1937","0.0004","15.1185","0.0004","113.748","0.001","103.82","0.001","97.895","0.001","1813.18","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H22 Cu N6 S2 -","- C12 H22 Cu N6 S2 -","- C48 H88 Cu4 N24 S8 -","4","2","","González-García, Cristina; Mendiola, M. Antonia; Perles, Josefina; López-Torres, Elena","Structural diversity and supramolecular architectures of Zn(ii), Cu(ii) and Ni(ii) complexes by selective control of the degree of deprotonation of diacetyl bis(4-isopropyl-3-thiosemicarbazone)","CrystEngComm","2017","19","7","1035","","10.1039/C6CE02488B","","","0.71073","MoKα","","0.0625","0.0356","","","0.1001","0.1255","","","","","","1","","","","has coordinates","193764","2020-10-21","18:00:00",""
"7227538","8.8078","0.0017","15.696","0.003","16.873","0.004","82.42","0.011","88.292","0.01","79.428","0.01","2273","0.8","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H29 N7 O4 S2 Zn -","- C14 H29 N7 O4 S2 Zn -","- C56 H116 N28 O16 S8 Zn4 -","4","2","","González-García, Cristina; Mendiola, M. Antonia; Perles, Josefina; López-Torres, Elena","Structural diversity and supramolecular architectures of Zn(ii), Cu(ii) and Ni(ii) complexes by selective control of the degree of deprotonation of diacetyl bis(4-isopropyl-3-thiosemicarbazone)","CrystEngComm","2017","19","7","1035","","10.1039/C6CE02488B","","","0.71073","MoKα","","0.0747","0.0518","","","0.1488","0.1769","","","","","","1.051","","","","has coordinates","193764","2020-10-21","18:00:00",""
"7227558","14.2221","0.0006","25.5903","0.001","10.381","0.0004","90","","93.552","0.0011","90","","3770.9","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H50 I6 La2 N6 O14 -","- C72 H50 I6 La2 N6 O14 -","- C144 H100 I12 La4 N12 O28 -","2","0.5","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","x-ray","0.71073","MoKα","","0.076","0.0471","","","0.116","0.1332","","","","","","1.024","","","","has coordinates","193756","2020-10-21","18:00:00",""
"7227559","11.1864","0.0009","12.786","0.0007","14.4367","0.0008","68.885","0.001","88.375","0.003","72.644","0.002","1831.3","0.2","293","2","293","","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 I6 Lu2 N6 O14 -","- C72 H50 I6 Lu2 N6 O14 -","- C72 H50 I6 Lu2 N6 O14 -","1","0.5","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","x-ray","0.71073","MoKα","","0.0446","0.0363","","","0.0973","0.1033","","","","","","1.038","","","","has coordinates,has disorder","193756","2020-10-21","18:00:00",""
"7227560","11.198","0.005","13.03","0.005","14.604","0.005","69.314","0.004","89.085","0.003","72.956","0.005","1896.8","1.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 Ce2 I6 N6 O14 -","- C72 H50 Ce2 I6 N6 O14 -","- C72 H50 Ce2 I6 N6 O14 -","1","0.5","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","","0.71073","MoKα","","0.0345","0.0264","","","0.0597","0.0637","","","","","","1.036","","","","has coordinates,has disorder","193756","2020-10-21","18:00:00",""
"7227561","14.247","0.0011","25.523","0.002","10.3649","0.0008","90","","93.3","0.0009","90","","3762.7","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H50 Ce2 I6 N6 O14 -","- C72 H50 Ce2 I6 N6 O14 -","- C144 H100 Ce4 I12 N12 O28 -","2","0.5","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","x-ray","0.71073","MoKα","","0.0731","0.0441","","","0.0999","0.1151","","","","","","1.032","","","","has coordinates","193756","2020-10-21","18:00:00",""
"7227562","10.0196","0.0004","10.467","0.0004","15.3792","0.0006","85.225","0.001","75.107","0.002","75.17","0.001","1506.53","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H38 Er2 I4 N6 O12 -","- C60 H38 Er2 I4 N6 O12 -","- C60 H38 Er2 I4 N6 O12 -","1","0.5","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","","0.71073","MoKα","","0.0529","0.0395","","","0.0829","0.0886","","","","","","1.061","","","","has coordinates,has disorder","193756","2020-10-21","18:00:00",""
"7227563","11.1925","0.0005","12.7725","0.0005","14.436","0.0006","68.862","0.002","88.312","0.001","72.624","0.001","1829.91","0.14","293","2","293","","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 I6 N6 O14 Yb2 -","- C72 H50 I6 N6 O14 Yb2 -","- C72 H50 I6 N6 O14 Yb2 -","1","0.5","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","x-ray","0.71073","MoKα","","0.0654","0.0449","","","0.0996","0.1092","","","","","","1.041","","","","has coordinates,has disorder","193756","2020-10-21","18:00:00",""
"7227564","11.194","0.003","12.797","0.004","14.456","0.004","68.894","0.003","88.362","0.004","72.638","0.004","1836.6","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 I6 N6 O14 Tm2 -","- C72 H50 I6 N6 O14 Tm2 -","- C72 H50 I6 N6 O14 Tm2 -","1","0.5","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","","0.71073","MoKα","","0.062","0.0417","","","0.0984","0.1096","","","","","","1.043","","","","has coordinates,has disorder","193756","2020-10-21","18:00:00",""
"7227565","11.1808","0.0005","12.8254","0.0005","14.4618","0.0006","68.892","0.001","88.445","0.0011","72.691","0.0009","1839.57","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 I6 N6 O14 Y2 -","- C72 H50 I6 N6 O14 Y2 -","- C72 H50 I6 N6 O14 Y2 -","1","0.5","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","x-ray","0.71073","MoKα","","0.0711","0.0488","","","0.1372","0.1508","","","","","","1.048","","","","has coordinates,has disorder","193756","2020-10-21","18:00:00",""
"7227566","11.2147","0.0005","12.8161","0.0006","14.4733","0.0007","68.947","0.002","88.417","0.001","72.681","0.001","1845.99","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 Ho2 I6 N6 O14 -","- C72 H50 Ho2 I6 N6 O14 -","- C72 H50 Ho2 I6 N6 O14 -","1","0.5","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","x-ray","0.71073","MoKα","","0.054","0.0369","","","0.0763","0.0842","","","","","","1.031","","","","has coordinates,has disorder","193756","2020-10-21","18:00:00",""
"7227567","9.9471","0.0003","10.5094","0.0004","15.3693","0.0005","85.325","0.001","75.351","0.002","74.913","0.001","1500.66","0.09","293","2","293","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H38 I4 N6 O12 Tm2 -","- C60 H38 I4 N6 O12 Tm2 -","- C60 H38 I4 N6 O12 Tm2 -","1","0.5","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","","0.71073","MoKα","","0.0384","0.0321","","","0.0728","0.0758","","","","","","1.04","","","","has coordinates,has disorder","193756","2020-10-21","18:00:00",""
"7227568","8.79","0.0013","13.516","0.002","15.488","0.002","103.43","0.003","91.225","0.002","93.761","0.002","1784.6","0.4","293","2","293","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 I3 Lu N3 O7 -","- C36 H25 I3 Lu N3 O7 -","- C72 H50 I6 Lu2 N6 O14 -","2","1","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","x-ray","0.71073","MoKα","","0.0318","0.0273","","","0.0611","0.0631","","","","","","1.067","","","","has coordinates","193756","2020-10-21","18:00:00",""
"7227569","8.7843","0.0005","13.5206","0.0007","15.4808","0.0008","103.471","0.001","91.197","0.0011","93.745","0.0012","1783","0.17","293","2","293","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 I3 N3 O7 Yb -","- C36 H25 I3 N3 O7 Yb -","- C72 H50 I6 N6 O14 Yb2 -","2","1","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","x-ray","0.71073","MoKα","","0.0404","0.0305","","","0.0731","0.0785","","","","","","1.035","","","","has coordinates","193756","2020-10-21","18:00:00",""
"7227570","11.2083","0.0004","12.8703","0.0005","14.5009","0.0006","69.063","0.002","88.615","0.001","72.74","0.001","1857.85","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 Gd2 I6 N6 O14 -","- C72 H50 Gd2 I6 N6 O14 -","- C72 H50 Gd2 I6 N6 O14 -","1","0.5","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","","0.71073","MoKα","","0.0588","0.04","","","0.0786","0.0867","","","","","","1.037","","","","has coordinates,has disorder","193756","2020-10-21","18:00:00",""
"7227571","11.1954","0.0007","12.8463","0.0008","14.4794","0.0008","69.023","0.001","88.579","0.002","72.752","0.001","1849.22","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 I6 N6 O14 Tb2 -","- C72 H50 I6 N6 O14 Tb2 -","- C72 H50 I6 N6 O14 Tb2 -","1","0.5","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","","0.71073","MoKα","","0.0581","0.0407","","","0.0849","0.093","","","","","","1.034","","","","has coordinates,has disorder","193756","2020-10-21","18:00:00",""
"7227572","11.2063","0.0003","12.9586","0.0004","14.5704","0.0004","69.231","0.0011","88.87","0.002","72.899","0.001","1882.44","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 I6 N6 Nd2 O14 -","- C72 H50 I6 N6 Nd2 O14 -","- C72 H50 I6 N6 Nd2 O14 -","1","0.5","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","x-ray","0.71073","MoKα","","0.0364","0.0313","","","0.0751","0.0788","","","","","","1.023","","","","has coordinates,has disorder","193756","2020-10-21","18:00:00",""
"7227573","11.2048","0.0004","12.9132","0.0005","14.5273","0.0006","69.134","0.001","88.722","0.001","72.806","0.002","1868.2","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 I6 N6 O14 Sm2 -","- C72 H50 I6 N6 O14 Sm2 -","- C72 H50 I6 N6 O14 Sm2 -","1","0.5","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","","0.71073","MoKα","","0.05","0.0366","","","0.0758","0.0822","","","","","","0.977","","","","has coordinates,has disorder","193756","2020-10-21","18:00:00",""
"7227574","11.2063","0.0003","12.7987","0.0004","14.4542","0.0004","68.914","0.001","88.394","0.002","72.64","0.001","1838.85","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 Er2 I6 N6 O14 -","- C72 H50 Er2 I6 N6 O14 -","- C72 H50 Er2 I6 N6 O14 -","1","0.5","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","x-ray","0.71073","MoKα","","0.048","0.0359","","","0.0782","0.0837","","","","","","1.043","","","","has coordinates,has disorder","193756","2020-10-21","18:00:00",""
"7227575","11.152","0.0003","12.9748","0.0004","14.5744","0.0004","69.246","0.001","88.95","0.002","73.066","0.001","1877.98","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 I6 N6 O14 Pr2 -","- C72 H50 I6 N6 O14 Pr2 -","- C72 H50 I6 N6 O14 Pr2 -","1","0.5","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","","0.71073","MoKα","","0.0498","0.0379","","","0.0917","0.0986","","","","","","1.043","","","","has coordinates,has disorder","193756","2020-10-21","18:00:00",""
"7227576","8.7799","0.0004","13.563","0.0006","15.5082","0.0007","103.533","0.002","91.262","0.001","93.551","0.001","1790.75","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 I3 N3 O7 Y -","- C36 H25 I3 N3 O7 Y -","- C72 H50 I6 N6 O14 Y2 -","2","1","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","x-ray","0.71073","MoKα","","0.0417","0.0283","","","0.0557","0.0597","","","","","","1.016","","","","has coordinates","193756","2020-10-21","18:00:00",""
"7227577","11.1901","0.0006","12.8834","0.0006","14.507","0.0007","69.119","0.002","88.699","0.001","72.84","0.001","1859.1","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 Eu2 I6 N6 O14 -","- C72 H50 Eu2 I6 N6 O14 -","- C72 H50 Eu2 I6 N6 O14 -","1","0.5","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","x-ray","0.71073","MoKα","","0.0397","0.0351","","","0.0939","0.0984","","","","","","1.033","","","","has coordinates,has disorder","193756","2020-10-21","18:00:00",""
"7227578","11.1784","0.0004","12.8338","0.0005","14.4641","0.0006","68.995","0.002","88.543","0.001","72.722","0.001","1842.08","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 Dy2 I6 N6 O14 -","- C72 H50 Dy2 I6 N6 O14 -","- C72 H50 Dy2 I6 N6 O14 -","1","0.5","","August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1190","","10.1039/C6CE02356H","","","0.71073","MoKα","","0.0515","0.0408","","","0.1105","0.1182","","","","","","1.028","","","","has coordinates,has disorder","193756","2020-10-21","18:00:00",""
"7227579","9.9154","0.0005","10.4003","0.0005","15.0369","0.0008","85.103","0.001","74.836","0.001","74.496","0.001","1442","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H38 Br4 Lu2 N6 O12 -","- C60 H38 Br4.006 Lu2 N6 O12 -","- C60 H38 Br4.006 Lu2 N6 O12 -","1","0.5","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0478","0.0341","","","0.0638","0.0697","","","","","","1.025","","","","has coordinates,has disorder","193755","2020-10-21","18:00:00",""
"7227580","10.0352","0.0004","10.3574","0.0004","15.0822","0.0006","84.858","0.0009","74.15","0.001","75.009","0.0011","1456.39","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H38 Br4 N6 O12 Tm2 -","- C60 H38 Br4 N6 O12 Tm2 -","- C60 H38 Br4 N6 O12 Tm2 -","1","0.5","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","","0.71073","MoKα","","0.0589","0.04","","","0.079","0.0858","","","","","","1.021","","","","has coordinates,has disorder","193755","2020-10-21","18:00:00",""
"7227581","8.683","0.0013","13.052","0.0019","15.223","0.002","102.793","0.002","93.301","0.002","92.394","0.002","1677","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Br3 N3 O7 Yb -","- C36 H25 Br3 N3 O7 Yb -","- C72 H50 Br6 N6 O14 Yb2 -","2","1","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0289","0.0229","","","0.0508","0.0527","","","","","","1.011","","","","has coordinates","193755","2020-10-21","18:00:00",""
"7227582","8.7587","0.0003","13.2478","0.0005","15.3694","0.0006","103.332","0.001","92.802","0.001","92.495","0.0011","1730.47","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Br3 N3 O7 Tb -","- C36 H25 Br3 N3 O7 Tb -","- C72 H50 Br6 N6 O14 Tb2 -","2","1","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.048","0.0323","","","0.0646","0.0694","","","","","","1.019","","","","has coordinates","193755","2020-10-21","18:00:00",""
"7227583","8.7712","0.0002","13.1735","0.0004","15.3367","0.0004","103.2","0.011","92.67","0.01","92.75","0.01","1720.29","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Br3 N3 O7 Tm -","- C36 H25 Br3 N3 O7 Tm -","- C72 H50 Br6 N6 O14 Tm2 -","2","1","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0337","0.026","","","0.0633","0.068","","","","","","0.83","","","","has coordinates","193755","2020-10-21","18:00:00",""
"7227584","9.9679","0.0004","10.3797","0.0004","15.0584","0.0005","84.989","0.001","74.48","0.001","74.774","0.001","1448.25","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H38 Br4 N6 O12 Yb2 -","- C60 H38 Br4 N6 O12 Yb2 -","- C60 H38 Br4 N6 O12 Yb2 -","1","0.5","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0509","0.0369","","","0.0728","0.0776","","","","","","1.045","","","","has coordinates,has disorder","193755","2020-10-21","18:00:00",""
"7227585","8.7754","0.0007","13.2024","0.0011","15.3521","0.0013","103.207","0.001","92.728","0.0009","92.688","0.001","1726.6","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Br3 Er N3 O7 -","- C36 H25 Br3 Er N3 O7 -","- C72 H50 Br6 Er2 N6 O14 -","2","1","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.06","0.0411","","","0.0934","0.1017","","","","","","1.002","","","","has coordinates","193755","2020-10-21","18:00:00",""
"7227586","8.7376","0.0015","13.163","0.002","15.296","0.003","103.274","0.002","92.763","0.002","92.604","0.002","1707.4","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Br3 Ho N3 O7 -","- C36 H25 Br3 Ho N3 O7 -","- C72 H50 Br6 Ho2 N6 O14 -","2","1","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0952","0.0506","","","0.1016","0.1201","","","","","","0.919","","","","has coordinates","193755","2020-10-21","18:00:00",""
"7227587","10.974","0.002","12.601","0.002","14.083","0.003","69.087","0.003","88.723","0.003","74.262","0.003","1744.9","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 Br6 N6 O14 Sm2 -","- C72 H50 Br6 N6 O14 Sm2 -","- C72 H50 Br6 N6 O14 Sm2 -","1","0.5","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0621","0.0387","","","0.0769","0.0859","","","","","","0.937","","","","has coordinates","193755","2020-10-21","18:00:00",""
"7227588","8.7618","0.0006","13.223","0.0009","15.3537","0.0011","103.268","0.001","92.804","0.0008","92.564","0.001","1726.4","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Br3 Dy N3 O7 -","- C36 H25 Br3 Dy N3 O7 -","- C72 H50 Br6 Dy2 N6 O14 -","2","1","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0874","0.0441","","","0.0737","0.0858","","","","","","0.981","","","","has coordinates","193755","2020-10-21","18:00:00",""
"7227589","8.7767","0.0004","13.1502","0.0006","15.3202","0.0007","103.146","0.001","92.657","0.001","92.845","0.0011","1716.7","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Br3 Lu N3 O7 -","- C36 H25 Br3 Lu N3 O7 -","- C72 H50 Br6 Lu2 N6 O14 -","2","1","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0637","0.0389","","","0.0755","0.0848","","","","","","0.949","","","","has coordinates","193755","2020-10-21","18:00:00",""
"7227590","13.8199","0.001","25.3181","0.0018","9.9662","0.0007","90","","91.308","0.001","90","","3486.2","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H50 Br6 N6 Nd2 O14 -","- C72 H50 Br6 N6 Nd2 O14 -","- C144 H100 Br12 N12 Nd4 O28 -","2","0.5","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0517","0.0321","","","0.062","0.0677","","","","","","0.989","","","","has coordinates","193755","2020-10-21","18:00:00",""
"7227591","13.8325","0.0005","25.4757","0.0008","10.2555","0.0003","90","","91.931","0.001","90","","3611.9","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H50 Br6 N6 O14 Pr2 -","- C72 H50 Br6 N6 O14 Pr2 -","- C144 H100 Br12 N12 O28 Pr4 -","2","0.5","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0747","0.0422","","","0.0958","0.109","","","","","","1.014","","","","has coordinates","193755","2020-10-21","18:00:00",""
"7227592","10.9343","0.0015","12.5436","0.0017","14.0627","0.0019","68.83","0.002","88.536","0.003","74.185","0.002","1724.8","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 Br6 N6 O14 Tb2 -","- C72 H50 Br6 N6 O14 Tb2 -","- C72 H50 Br6 N6 O14 Tb2 -","1","0.5","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0797","0.0486","","","0.0954","0.1061","","","","","","0.982","","","","has coordinates","193755","2020-10-21","18:00:00",""
"7227593","25.3124","0.0012","29.7294","0.0014","9.5415","0.0004","90","","90","","90","","7180.2","0.6","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C72 H50 Br6 La2 N6 O14 -","- C72 H50 Br6 La2 N6 O14 -","- C288 H200 Br24 La8 N24 O56 -","4","0.5","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0687","0.0349","","","0.0716","0.0829","","","","","","1.023","","","","has coordinates","193755","2020-10-21","18:00:00",""
"7227594","13.809","0.0005","25.6321","0.0009","10.2526","0.0004","90","","92.434","0.001","90","","3625.7","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H50 Br6 La2 N6 O14 -","- C72 H50 Br6 La2 N6 O14 -","- C144 H100 Br12 La4 N12 O28 -","2","0.5","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0952","0.0457","","","0.0995","0.1185","","","","","","1.012","","","","has coordinates","193755","2020-10-21","18:00:00",""
"7227595","10.9414","0.0016","12.5871","0.0019","14.092","0.002","68.974","0.003","88.679","0.004","74.21","0.002","1737.2","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 Br6 Eu2 N6 O14 -","- C72 H50 Br6 Eu2 N6 O14 -","- C72 H50 Br6 Eu2 N6 O14 -","1","0.5","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0675","0.0415","","","0.0875","0.0951","","","","","","1.041","","","","has coordinates","193755","2020-10-21","18:00:00",""
"7227596","13.8159","0.0004","25.5564","0.0006","10.2526","0.0003","90","","92.18","0.01","90","","3617.42","0.17","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H50 Br6 Ce2 N6 O14 -","- C72 H50 Br6 Ce2 N6 O14 -","- C144 H100 Br12 Ce4 N12 O28 -","2","0.5","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0707","0.0411","","","0.0983","0.1105","","","","","","1.026","","","","has coordinates","193755","2020-10-21","18:00:00",""
"7227597","25.242","0.005","29.691","0.006","9.5673","0.0018","90","","90","","90","","7170","2","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C72 H46 Br6 Ce2 N6 O14 -","- C72 H46 Br6 Ce2 N6 O14 -","- C288 H184 Br24 Ce8 N24 O56 -","4","0.5","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0968","0.0416","","","0.0876","0.1052","","","","","","1.005","","","","has coordinates","193755","2020-10-21","18:00:00",""
"7227598","8.778","0.003","13.221","0.004","15.363","0.005","103.208","0.005","92.772","0.006","92.673","0.005","1730.7","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Br3 N3 O7 Y -","- C36 H25 Br3 N3 O7 Y -","- C72 H50 Br6 N6 O14 Y2 -","2","1","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0789","0.0406","","","0.0823","0.0946","","","","","","0.963","","","","has coordinates","193755","2020-10-21","18:00:00",""
"7227599","8.7578","0.0007","13.2715","0.0011","15.3805","0.0012","103.408","0.0009","92.838","0.001","92.302","0.001","1734.3","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Br3 Gd N3 O7 -","- C36 H25 Br3 Gd N3 O7 -","- C72 H50 Br6 Gd2 N6 O14 -","2","1","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0555","0.0368","","","0.0796","0.0873","","","","","","1.009","","","","has coordinates","193755","2020-10-21","18:00:00",""
"7227600","25.0965","0.0017","29.647","0.002","9.605","0.0007","90","","90","","90","","7146.5","0.9","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C72 H47 Br6 N6 Nd2 O14 -","- C72 H47 Br6 N6 Nd2 O14 -","- C288 H188 Br24 N24 Nd8 O56 -","4","0.5","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0562","0.0364","","","0.0785","0.0858","","","","","","1.118","","","","has coordinates,has disorder","193755","2020-10-21","18:00:00",""
"7227601","25.1741","0.0016","29.6104","0.0019","9.5656","0.0006","90","","90","","90","","7130.3","0.8","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C72 H50 Br6 N6 O14 Pr2 -","- C72 H50 Br6 N6 O14 Pr2 -","- C288 H200 Br24 N24 O56 Pr8 -","4","0.5","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.0651","0.0454","","","0.1125","0.1223","","","","","","1.065","","","","has coordinates","193755","2020-10-21","18:00:00",""
"7227602","10.962","0.003","12.556","0.003","14.059","0.004","68.944","0.004","88.62","0.006","74.244","0.005","1732.2","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H50 Br6 Gd2 N6 O14 -","- C72 H50 Br6 Gd2 N6 O14 -","- C72 H50 Br6 Gd2 N6 O14 -","1","0.5","","Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.","RE-p-halobenzoic acid‒terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials","CrystEngComm","2017","19","8","1172","","10.1039/C6CE02355J","","x-ray","0.71073","MoKα","","0.104","0.0543","","","0.0986","0.1187","","","","","","0.968","","","","has coordinates","193755","2020-10-21","18:00:00",""
"7227611","4.587","0.003","9.666","0.004","19.148","0.005","90","","91.76","0.02","90","","848.6","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(nicotinoamido)urea","","- C7 H8 N4 O2 -","- C7 H8 N4 O2 -","- C28 H32 N16 O8 -","4","1","","Causà, Mauro; Centore, Roberto","Actual and virtual structures in molecular crystals","CrystEngComm","2017","19","9","1320","","10.1039/C7CE00075H","","x-ray","0.71073","MoKα","","0.081","0.0539","","","0.1164","0.1272","","","","","","1.168","","","","has coordinates","193768","2020-10-21","18:00:00",""
"7227612","4.58","0.002","9.633","0.003","19.017","0.005","90","","91.18","0.02","90","","838.8","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(nicotinoamido)urea","","- C7 H8 N4 O2 -","- C7 H8 N4 O2 -","- C28 H32 N16 O8 -","4","1","","Causà, Mauro; Centore, Roberto","Actual and virtual structures in molecular crystals","CrystEngComm","2017","19","9","1320","","10.1039/C7CE00075H","","x-ray","0.71073","MoKα","","0.0777","0.046","","","0.0981","0.1099","","","","","","1.083","","","","has coordinates","193768","2020-10-21","18:00:00",""
"7227624","8.0895","0.0016","11.829","0.002","18.063","0.004","86.63","0.03","77.32","0.03","77.33","0.03","1645.1","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H26 N6 O16 P4 Zn3 -","- C22 H25 N6 O16 P4 Zn3 -","- C44 H50 N12 O32 P8 Zn6 -","2","1","","Li, Jin-Hua; Han, Song-De; Pan, Jie; Xue, Zhen-Zhen; Wang, Guo-Ming; Wang, Zong-Hua; Bao, Zhen-Zhen","Template synthesis and photochromism of a layered zinc diphosphonate","CrystEngComm","2017","19","8","1160","","10.1039/C7CE00212B","","","0.71073","MoKα","","0.056","0.0389","","","0.0749","0.0802","","","","","","1.052","","","","has coordinates","193754","2020-10-21","18:00:00",""
"7227646","16.028","0.005","12.352","0.004","17.52","0.005","90","","104.455","0.019","90","","3358.8","1.8","108","2","108","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","Bis(trifluormethyl)dimethylfluoranthen","","- C22 H16 F6 -","- C22 H16 F6 -","- C176 H128 F48 -","8","1","","Schmidt, Bernd M.; Meyer, Annika K.; Lentz, Dieter","Solid state structures of fluorine-rich fluoranthenes","CrystEngComm","2017","19","9","1328","","10.1039/C6CE02558G","","","0.71073","MoKα","","0.0516","0.0352","","","0.0883","0.1009","","","","","","1.04","","","","has coordinates","193769","2020-10-21","18:00:00",""
"7227647","11.817","0.003","21.237","0.004","8.258","0.0016","90","","97.474","0.002","90","","2054.8","0.8","153","","153","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H14 F12 -","- C24 H14 F12 -","- C96 H56 F48 -","4","1","","Schmidt, Bernd M.; Meyer, Annika K.; Lentz, Dieter","Solid state structures of fluorine-rich fluoranthenes","CrystEngComm","2017","19","9","1328","","10.1039/C6CE02558G","","","0.71075","MoKα","","","0.0504","","","","0.0599","","","","","","3.246","","","","has coordinates","193769","2020-10-21","18:00:00",""
"7227648","30.365","0.011","12.085","0.004","13.365","0.004","90","","90","","90","","4904","3","133","2","133","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C32 H16 F10 -","- C32 H16 F10 -","- C256 H128 F80 -","8","1","","Schmidt, Bernd M.; Meyer, Annika K.; Lentz, Dieter","Solid state structures of fluorine-rich fluoranthenes","CrystEngComm","2017","19","9","1328","","10.1039/C6CE02558G","","","0.71073","MoKα","","0.0914","0.0663","","","0.1364","0.1477","","","","","","1.093","","","","has coordinates,has disorder","193769","2020-10-21","18:00:00",""
"7227649","8.943","0.002","9.827","0.002","21.451","0.005","90","","97.064","0.005","90","","1870.9","0.7","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H15 F9 -","- C23 H14 F9 -","- C92 H56 F36 -","4","1","","Schmidt, Bernd M.; Meyer, Annika K.; Lentz, Dieter","Solid state structures of fluorine-rich fluoranthenes","CrystEngComm","2017","19","9","1328","","10.1039/C6CE02558G","","","0.71073","MoKα","","0.0538","0.0474","","","0.1089","0.1116","","","","","","1.218","","","","has coordinates","193769","2020-10-21","18:00:00",""
"7227650","12.017","0.002","7.1071","0.0014","35.635","0.007","90","","92.848","0.005","90","","3039.7","1","133","2","133","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C22 H16 N2 -","- C22 H16 N2 -","- C176 H128 N16 -","8","1","","Schmidt, Bernd M.; Meyer, Annika K.; Lentz, Dieter","Solid state structures of fluorine-rich fluoranthenes","CrystEngComm","2017","19","9","1328","","10.1039/C6CE02558G","","","0.71073","MoKα","","0.0596","0.0462","","","0.1194","0.1313","","","","","","1.062","","","","has coordinates","193769","2020-10-21","18:00:00",""
"7227651","12.479","0.002","11.3269","0.0019","29.181","0.005","90","","101.941","0.002","90","","4035.4","1.2","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H14 F12 -","- C24 H14 F12 -","- C192 H112 F96 -","8","2","","Schmidt, Bernd M.; Meyer, Annika K.; Lentz, Dieter","Solid state structures of fluorine-rich fluoranthenes","CrystEngComm","2017","19","9","1328","","10.1039/C6CE02558G","","","0.71069","MoKα","","0.0585","0.0505","","","0.1387","0.1453","","","","","","1.051","","","","has coordinates","202518","2020-10-21","18:00:00",""
"7227652","21.1643","0.0012","11.9365","0.0006","12.8317","0.0008","90","","106.535","0.002","90","","3107.6","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 F3 -","- C21 H17 F3 -","- C168 H136 F24 -","8","2","","Schmidt, Bernd M.; Meyer, Annika K.; Lentz, Dieter","Solid state structures of fluorine-rich fluoranthenes","CrystEngComm","2017","19","9","1328","","10.1039/C6CE02558G","","","0.71073","MoKα","","0.0929","0.0567","","","0.1301","0.146","","","","","","1.018","","","","has coordinates","202518","2020-10-21","18:00:00",""
"7227653","7.8051","0.0009","13.136","0.0015","14.1342","0.0015","78.497","0.009","85.326","0.009","85.781","0.01","1412.9","0.3","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H28 F8 Hg3 I6 N12 O4 -","- C44 H28 F8 Hg3 I6 N12 O4 -","- C44 H28 F8 Hg3 I6 N12 O4 -","1","0.5","","Khavasi, Hamid Reza; Rahimi, Narjes","Are fluorine-based contacts predictable? A case study in three similar coordination compounds","CrystEngComm","2017","19","10","1361","","10.1039/C6CE02598F","","","0.71073","MoKα","","0.0953","0.0875","","","0.1825","0.1919","","","","","","0.935","","","","has coordinates","195018","2020-10-21","18:00:00",""
"7227654","10.988","0.003","3.9173","0.0009","31.538","0.009","90","","99.68","0.02","90","","1338.2","0.6","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C11 H7 Cl2 F2 Hg N3 O -","- C11 H7 Cl2 F2 Hg N3 O -","- C44 H28 Cl8 F8 Hg4 N12 O4 -","4","1","","Khavasi, Hamid Reza; Rahimi, Narjes","Are fluorine-based contacts predictable? A case study in three similar coordination compounds","CrystEngComm","2017","19","10","1361","","10.1039/C6CE02598F","","","0.71073","MoKα","","0.0965","0.0941","","","0.1497","0.1981","","","","","","0.968","","","","has coordinates","195018","2020-10-21","18:00:00",""
"7227655","6.7713","0.0012","12.7185","0.0015","33.489","0.004","90","","90","","90","","2884.1","0.7","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C11 H7 Br2 F2 Hg N3 O -","- C11 H7 Br2 F2 Hg N3 O -","- C88 H56 Br16 F16 Hg8 N24 O8 -","8","1","","Khavasi, Hamid Reza; Rahimi, Narjes","Are fluorine-based contacts predictable? A case study in three similar coordination compounds","CrystEngComm","2017","19","10","1361","","10.1039/C6CE02598F","","","0.71073","MoKα","","0.0998","0.0928","","","0.1944","0.1996","","","","","","1.032","","","","has coordinates","195018","2020-10-21","18:00:00",""
"7227656","7.4184","0.0004","10.1888","0.0006","18.148","0.0013","90","","91.187","0.004","90","","1371.41","0.15","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Cl2 N4 O Zn -","- C12 H10 Cl2 N4 O Zn -","- C48 H40 Cl8 N16 O4 Zn4 -","4","1","","Afkhami, Farhad Akbari; Khandar, Ali Akbar; Mahmoudi, Ghodrat; Maniukiewicz, Waldemar; Gurbanov, Atash V.; Zubkov, Fedor I.; Şahin, Onur; Yesilel, Okan Zafer; Frontera, Antonio","Chelate ring stacking interactions in the supramolecular assemblies of Zn(ii)and Cd(ii) coordination compounds: a combined experimental and theoretical study","CrystEngComm","2017","19","10","1389","","10.1039/C6CE02666D","","","0.71073","MoKα","","0.0429","0.0384","","","0.0915","0.0934","","","","","","1.046","","","","has coordinates","208163","2020-10-21","18:00:00",""
"7227657","29.767","0.0012","10.3466","0.0004","25.8735","0.001","90","","98.543","0.002","90","","7880.3","0.5","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H52 I6 N16 O8 Zn5 -","- C72 H52 I6 N16 O8 Zn5 -","- C288 H208 I24 N64 O32 Zn20 -","4","0.5","","Afkhami, Farhad Akbari; Khandar, Ali Akbar; Mahmoudi, Ghodrat; Maniukiewicz, Waldemar; Gurbanov, Atash V.; Zubkov, Fedor I.; Şahin, Onur; Yesilel, Okan Zafer; Frontera, Antonio","Chelate ring stacking interactions in the supramolecular assemblies of Zn(ii)and Cd(ii) coordination compounds: a combined experimental and theoretical study","CrystEngComm","2017","19","10","1389","","10.1039/C6CE02666D","","","0.71073","MoKα","","0.088","0.0538","","","0.1108","0.1243","","","","","","1.02","","","","has coordinates","195016","2020-10-21","18:00:00",""
"7227658","7.6877","0.0014","10.3625","0.0019","18.182","0.003","90","","91.183","0.002","90","","1448.1","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Br2 N4 O Zn -","- C12 H10 Br2 N4 O Zn -","- C48 H40 Br8 N16 O4 Zn4 -","4","1","","Afkhami, Farhad Akbari; Khandar, Ali Akbar; Mahmoudi, Ghodrat; Maniukiewicz, Waldemar; Gurbanov, Atash V.; Zubkov, Fedor I.; Şahin, Onur; Yesilel, Okan Zafer; Frontera, Antonio","Chelate ring stacking interactions in the supramolecular assemblies of Zn(ii)and Cd(ii) coordination compounds: a combined experimental and theoretical study","CrystEngComm","2017","19","10","1389","","10.1039/C6CE02666D","","","0.71073","MoKα","","0.0474","0.0377","","","0.0884","0.0931","","","","","","1.078","","","","has coordinates","195016","2020-10-21","18:00:00",""
"7227659","9.1458","0.0006","11.706","0.0009","18.2478","0.0012","80.629","0.009","77.512","0.008","88.044","0.009","1881.9","0.2","213","2","213","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 Br2 N4 O Zn -","- C18 H14 Br2 N4 O Zn -","- C72 H56 Br8 N16 O4 Zn4 -","4","2","","Afkhami, Farhad Akbari; Khandar, Ali Akbar; Mahmoudi, Ghodrat; Maniukiewicz, Waldemar; Gurbanov, Atash V.; Zubkov, Fedor I.; Şahin, Onur; Yesilel, Okan Zafer; Frontera, Antonio","Chelate ring stacking interactions in the supramolecular assemblies of Zn(ii)and Cd(ii) coordination compounds: a combined experimental and theoretical study","CrystEngComm","2017","19","10","1389","","10.1039/C6CE02666D","","","0.71073","MoKα","","0.0477","0.0287","","","0.0579","0.0608","","","","","","0.826","","","","has coordinates","195016","2020-10-21","18:00:00",""
"7227660","9.0285","0.0006","11.7143","0.0008","17.5898","0.0011","82.781","0.008","78.436","0.005","88.107","0.008","1808.1","0.2","213","2","213","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 Cl2 N4 O Zn -","- C18 H14 Cl2 N4 O Zn -","- C72 H56 Cl8 N16 O4 Zn4 -","4","2","","Afkhami, Farhad Akbari; Khandar, Ali Akbar; Mahmoudi, Ghodrat; Maniukiewicz, Waldemar; Gurbanov, Atash V.; Zubkov, Fedor I.; Şahin, Onur; Yesilel, Okan Zafer; Frontera, Antonio","Chelate ring stacking interactions in the supramolecular assemblies of Zn(ii)and Cd(ii) coordination compounds: a combined experimental and theoretical study","CrystEngComm","2017","19","10","1389","","10.1039/C6CE02666D","","","0.71073","MoKα","","0.0374","0.029","","","0.0742","0.0759","","","","","","0.949","","","","has coordinates","195016","2020-10-21","18:00:00",""
"7227661","9.2443","0.0018","10.2822","0.0013","14.4976","0.0016","82.264","0.01","86.277","0.013","88.43","0.013","1362.4","0.4","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H22 Cd N10 O9 -","- C24 H22 Cd N10 O9 -","- C48 H44 Cd2 N20 O18 -","2","1","","Afkhami, Farhad Akbari; Khandar, Ali Akbar; Mahmoudi, Ghodrat; Maniukiewicz, Waldemar; Gurbanov, Atash V.; Zubkov, Fedor I.; Şahin, Onur; Yesilel, Okan Zafer; Frontera, Antonio","Chelate ring stacking interactions in the supramolecular assemblies of Zn(ii)and Cd(ii) coordination compounds: a combined experimental and theoretical study","CrystEngComm","2017","19","10","1389","","10.1039/C6CE02666D","","","0.71073","MoKα","","0.0883","0.0524","","","0.0708","0.0771","","","","","","1.019","","","","has coordinates","195016","2020-10-21","18:00:00",""
"7227662","9.347","0.0014","11.475","0.0012","18.59","0.002","78.554","0.005","76.342","0.006","87.434","0.004","1899","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 Br2 Cd N4 O -","- C18 H14 Br2 Cd N4 O -","- C72 H56 Br8 Cd4 N16 O4 -","4","2","","Afkhami, Farhad Akbari; Khandar, Ali Akbar; Mahmoudi, Ghodrat; Maniukiewicz, Waldemar; Gurbanov, Atash V.; Zubkov, Fedor I.; Şahin, Onur; Yesilel, Okan Zafer; Frontera, Antonio","Chelate ring stacking interactions in the supramolecular assemblies of Zn(ii)and Cd(ii) coordination compounds: a combined experimental and theoretical study","CrystEngComm","2017","19","10","1389","","10.1039/C6CE02666D","","","0.71073","MoKα","","0.0366","0.0284","","","0.0566","0.0597","","","","","","1.045","","","","has coordinates","195016","2020-10-21","18:00:00",""
"7227667","10.021","0.0003","16.1986","0.0005","18.3286","0.0005","76.43","0.003","87.497","0.002","74.082","0.003","2780.58","0.15","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C58 H36 Cl8 O8 S4 -","- C58 H36 Cl8 O8 S4 -","- C116 H72 Cl16 O16 S8 -","2","1","","Hisaki, Ichiro; Affendy, Emilya N. Q.; Tohnai, Norimitsu","Precise Elucidations on Stacking Manners of Hydrogen-Bonded Two-Dimensional Organic Frameworks Composed of X-Shaped π-Conjugated Systems","CrystEngComm","2017","","","","","10.1039/C7CE00183E","","","0.8","synchrotron","","0.0612","0.054","","","0.1623","0.1724","","","","","","1.034","","","","has coordinates","191959","2020-10-21","18:00:00",""
"7227668","5.60869","0.0001","14.7726","0.0004","18.7946","0.0005","75.237","0.002","82.3657","0.0018","88.599","0.0019","1492.4","0.06","113","","113","","","","","","","","","4","P -1","-P 1","2","","","","- C38 H22 N4 O8 -","- C38 H22 N4 O8 -","- C38 H22 N4 O8 -","1","0.5","","Hisaki, Ichiro; Affendy, Emilya N. Q.; Tohnai, Norimitsu","Precise Elucidations on Stacking Manners of Hydrogen-Bonded Two-Dimensional Organic Frameworks Composed of X-Shaped π-Conjugated Systems","CrystEngComm","2017","","","","","10.1039/C7CE00183E","","","1.54187","CuKα","","0.0819","0.0765","","","0.266","0.2723","","","","","","1.107","","","","has coordinates","191959","2020-10-21","18:00:00",""
"7227669","19.4377","0.0015","30.6822","0.0012","9.1127","0.0008","90","","90","","90","","5434.7","0.7","253","","253","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C34 H22 O8 -","- C34 H22 O8 -","- C136 H88 O32 -","4","0.5","","Hisaki, Ichiro; Affendy, Emilya N. Q.; Tohnai, Norimitsu","Precise Elucidations on Stacking Manners of Hydrogen-Bonded Two-Dimensional Organic Frameworks Composed of X-Shaped π-Conjugated Systems","CrystEngComm","2017","","","","","10.1039/C7CE00183E","","","1.54187","CuKα","","0.172","0.1026","","","0.3133","0.3439","","","","","","1.36","","","","has coordinates","191959","2020-10-21","18:00:00",""
"7227672","19.627","0.002","7.315","0.001","23.51","0.003","90","","114.567","0.008","90","","3069.8","0.7","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H45 N3 O9 -","- C30 H45 N3 O9 -","- C120 H180 N12 O36 -","4","1","","Lynes, Amy D.; Hawes, Chris S.; Ward, Edward N.; Haffner, Benjamin; Möbius, Matthias E.; Byrne, Kevin; Schmitt, Wolfgang; Pal, Robert; Gunnlaugsson, Thorfinnur","Benzene-1,3,5-tricarboxamide n-alkyl ester and carboxylic acid derivatives: tuneable structural, morphological and thermal properties","CrystEngComm","2017","19","10","1427","","10.1039/C7CE00206H","","","1.54178","CuKα","","0.202","0.0884","","","0.2088","0.2795","","","","","","0.969","","","","has coordinates,has disorder","195020","2020-10-21","18:00:00",""
"7227673","24.6517","0.0013","4.7182","0.0003","25.6558","0.0012","90","","96.827","0.004","90","","2962.9","0.3","100","2","99.99","","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C24 H43 N3 O14 -","- C24 H43 N3 O14 -","- C96 H172 N12 O56 -","4","1","","Lynes, Amy D.; Hawes, Chris S.; Ward, Edward N.; Haffner, Benjamin; Möbius, Matthias E.; Byrne, Kevin; Schmitt, Wolfgang; Pal, Robert; Gunnlaugsson, Thorfinnur","Benzene-1,3,5-tricarboxamide n-alkyl ester and carboxylic acid derivatives: tuneable structural, morphological and thermal properties","CrystEngComm","2017","19","10","1427","","10.1039/C7CE00206H","","","1.54178","CuKα","","0.0729","0.0547","","","0.1396","0.1547","","","","","","1.026","","","","has coordinates","195020","2020-10-21","18:00:00",""
"7227674","15.5682","0.0006","15.5682","0.0006","6.8268","0.0003","90","","90","","120","","1432.93","0.1","100","2","99.99","","","","","","","","","4","P 63/m","-P 6c","176","","","","- C27 H39 N3 O9 -","- C27 H39 N3 O9 -","- C54 H78 N6 O18 -","2","0.166667","","Lynes, Amy D.; Hawes, Chris S.; Ward, Edward N.; Haffner, Benjamin; Möbius, Matthias E.; Byrne, Kevin; Schmitt, Wolfgang; Pal, Robert; Gunnlaugsson, Thorfinnur","Benzene-1,3,5-tricarboxamide n-alkyl ester and carboxylic acid derivatives: tuneable structural, morphological and thermal properties","CrystEngComm","2017","19","10","1427","","10.1039/C7CE00206H","","","1.54178","CuKα","","0.0615","0.0533","","","0.1608","0.1674","","","","","","1.064","","","","has coordinates,has disorder","195020","2020-10-21","18:00:00",""
"7227675","4.9042","0.0002","16.9098","0.0006","17.0515","0.0007","77.472","0.003","87.209","0.004","83.111","0.003","1370.05","0.09","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H27 N3 O9 -","- C21 H27 N3 O9 -","- C42 H54 N6 O18 -","2","1","","Lynes, Amy D.; Hawes, Chris S.; Ward, Edward N.; Haffner, Benjamin; Möbius, Matthias E.; Byrne, Kevin; Schmitt, Wolfgang; Pal, Robert; Gunnlaugsson, Thorfinnur","Benzene-1,3,5-tricarboxamide n-alkyl ester and carboxylic acid derivatives: tuneable structural, morphological and thermal properties","CrystEngComm","2017","19","10","1427","","10.1039/C7CE00206H","","","1.54178","CuKα","","0.0854","0.0581","","","0.1507","0.1651","","","","","","1.045","","","","has coordinates","195020","2020-10-21","18:00:00",""
"7227677","14.214","0.002","9.8017","0.0014","19.392","0.003","90","","95.548","0.004","90","","2689.1","0.7","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 Cl N2 S -","- C13 H15 Cl N2 S -","- C104 H120 Cl8 N16 S8 -","8","2","","Saeed, Aamer; Flörke, Ulrich; Fantoni, Adolfo; Khurshid, Asma; Pérez, Hiram; Erben, Mauricio F.","Close insight into the nature of intermolecular interactions in dihydropyrimidine-2(1H)-thione derivatives","CrystEngComm","2017","19","11","1495","","10.1039/C6CE02619B","","","0.71073","MoKα","","0.08","0.0499","","","0.1064","0.1149","","","","","","0.934","","","","has coordinates","195042","2020-10-21","18:00:00",""
"7227678","12.228","0.003","8.896","0.002","14.798","0.004","90","","113.166","0.006","90","","1479.9","0.6","130","2","130","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 N2 S -","- C15 H20 N2 S -","- C60 H80 N8 S4 -","4","1","","Saeed, Aamer; Flörke, Ulrich; Fantoni, Adolfo; Khurshid, Asma; Pérez, Hiram; Erben, Mauricio F.","Close insight into the nature of intermolecular interactions in dihydropyrimidine-2(1H)-thione derivatives","CrystEngComm","2017","19","11","1495","","10.1039/C6CE02619B","","","0.71073","MoKα","","0.1389","0.0544","","","0.0865","0.1042","","","","","","0.765","","","","has coordinates","195042","2020-10-21","18:00:00",""
"7227679","12.072","0.004","7.01","0.002","17.035","0.005","90","","101.402","0.007","90","","1413.1","0.7","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 Cl2 N2 S -","- C13 H14 Cl2 N2 S -","- C52 H56 Cl8 N8 S4 -","4","1","","Saeed, Aamer; Flörke, Ulrich; Fantoni, Adolfo; Khurshid, Asma; Pérez, Hiram; Erben, Mauricio F.","Close insight into the nature of intermolecular interactions in dihydropyrimidine-2(1H)-thione derivatives","CrystEngComm","2017","19","11","1495","","10.1039/C6CE02619B","","","0.71073","MoKα","","0.1","0.0537","","","0.1075","0.1259","","","","","","1.008","","","","has coordinates","195042","2020-10-21","18:00:00",""
"7227680","8.729","0.003","9.683","0.003","10.503","0.004","64.578","0.005","78.685","0.006","63.892","0.006","719.9","0.4","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 N2 O S -","- C14 H18 N2 O S -","- C28 H36 N4 O2 S2 -","2","1","","Saeed, Aamer; Flörke, Ulrich; Fantoni, Adolfo; Khurshid, Asma; Pérez, Hiram; Erben, Mauricio F.","Close insight into the nature of intermolecular interactions in dihydropyrimidine-2(1H)-thione derivatives","CrystEngComm","2017","19","11","1495","","10.1039/C6CE02619B","","","0.71073","MoKα","","0.108","0.0522","","","0.0852","0.0999","","","","","","0.824","","","","has coordinates","195042","2020-10-21","18:00:00",""
"7227685","24.6076","0.0013","9.1723","0.0003","19.6702","0.0014","90","","110.211","0.007","90","","4166.4","0.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Br Cl2 N5 O2 Zn -","- C16 H18 Br Cl2 N5 O2 Zn -","- C128 H144 Br8 Cl16 N40 O16 Zn8 -","8","2","","Mandal, Arkalekha; Patel, Bhisma K.; Shukla, Rahul; Chopra, Deepak","Impact of the complementary electronic nature of C‒X and M‒X halogens and intramolecular X⋯O interaction on supramolecular assemblies of Zn(ii) complexes of o-halophenyl substituted hydrazides","CrystEngComm","2017","19","12","1607","","10.1039/C7CE00060J","","","0.71073","MoKα","","0.0813","0.0436","","","0.0822","0.0979","","","","","","0.994","","","","has coordinates","195043","2020-10-21","18:00:00",""
"7227686","24.5875","0.0009","9.1372","0.0003","19.5598","0.0007","90","","109.513","0.002","90","","4141.9","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Cl3 N5 O2 Zn -","- C16 H18 Cl3 N5 O2 Zn -","- C128 H144 Cl24 N40 O16 Zn8 -","8","2","","Mandal, Arkalekha; Patel, Bhisma K.; Shukla, Rahul; Chopra, Deepak","Impact of the complementary electronic nature of C‒X and M‒X halogens and intramolecular X⋯O interaction on supramolecular assemblies of Zn(ii) complexes of o-halophenyl substituted hydrazides","CrystEngComm","2017","19","12","1607","","10.1039/C7CE00060J","","","0.71073","MoKα","","0.0991","0.0423","","","0.0948","0.1127","","","","","","1.02","","","","has coordinates","195043","2020-10-21","18:00:00",""
"7227687","13.6983","0.0009","15.3878","0.0009","22.9945","0.0015","90","","96.396","0.002","90","","4816.8","0.5","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H44 N9 O15 Si Zn3 -","- C43 H36 N9 O15 Si Zn3 -","- C172 H144 N36 O60 Si4 Zn12 -","4","1","","Hui, Yuan-Feng; Kang, Chun-Li; Tian, Tao; Dang, Song; Ai, Jing; Liu, Chao; Tian, Hong-Rui; Sun, Zhong-Ming; Gao, Chao-Ying","Metal‒organic frameworks constructed from a tetrahedral silicon-based linker for selective adsorption of methylene blue","CrystEngComm","2017","19","11","1564","","10.1039/C6CE02639G","","","0.71073","MoKα","","0.0922","0.0476","","","0.1087","0.1311","","","","","","1.014","","","","has coordinates","195040","2020-10-21","18:00:00",""
"7227688","18.64","0.003","22.795","0.004","13.281","0.002","90","","130.484","0.003","90","","4292.1","1.2","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H10 Cd O5 Si0.5 -","- C14 H10 Cd O5 Si0.5 -","- C112 H80 Cd8 O40 Si4 -","8","1","","Hui, Yuan-Feng; Kang, Chun-Li; Tian, Tao; Dang, Song; Ai, Jing; Liu, Chao; Tian, Hong-Rui; Sun, Zhong-Ming; Gao, Chao-Ying","Metal‒organic frameworks constructed from a tetrahedral silicon-based linker for selective adsorption of methylene blue","CrystEngComm","2017","19","11","1564","","10.1039/C6CE02639G","","","0.71073","MoKα","","0.03","0.0239","","","0.0514","0.0529","","","","","","0.948","","","","has coordinates","195040","2020-10-21","18:00:00",""
"7227689","13.9339","0.0005","21.224","0.0007","16.231","0.0006","90","","100.771","0.001","90","","4715.5","0.3","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H29 Co3 N8 O16 Si -","- C40 H29 Co3 N8 O13 Si -","- C160 H116 Co12 N32 O52 Si4 -","4","1","","Hui, Yuan-Feng; Kang, Chun-Li; Tian, Tao; Dang, Song; Ai, Jing; Liu, Chao; Tian, Hong-Rui; Sun, Zhong-Ming; Gao, Chao-Ying","Metal‒organic frameworks constructed from a tetrahedral silicon-based linker for selective adsorption of methylene blue","CrystEngComm","2017","19","11","1564","","10.1039/C6CE02639G","","","0.71073","MoKα","","0.0616","0.0428","","","0.1047","0.1143","","","","","","1.08","","","","has coordinates","195040","2020-10-21","18:00:00",""
"7227690","9.108","0.0018","25.909","0.005","14.588","0.003","90","","96.69","0.03","90","","3419","1.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H39 Cl Cu2 N5 O8 -","- C32 H39 Cl Cu2 N5 O8 -","- C128 H156 Cl4 Cu8 N20 O32 -","4","1","","Lee, Hyun-Jung; Kwon, Hyunchul; Sim, Jaeung; Song, Dalnim; Kim, Yonghwi; Kim, Jaheon; Kim, Kimoon; Lee, Eunsung","Synthetic control of coincidental formation of an N-heterocyclic carbene‒copper(i) complex and imidazolium cations within metal‒organic frameworks","CrystEngComm","2017","19","11","1528","","10.1039/C7CE00078B","","","0.62998","synchrotron","","0.0809","0.0645","","","0.1752","0.1878","","","","","","0.969","","","","has coordinates","195041","2020-10-21","18:00:00",""
"7227691","9.2442","0.0004","26.9115","0.0013","13.167","0.0007","90","","90.408","0.002","90","","3275.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30.5 H32.5 Cl Cu N4 O10 -","- C30.5 H32.5 Cl Cu N4 O10 -","- C122 H130 Cl4 Cu4 N16 O40 -","4","1","","Lee, Hyun-Jung; Kwon, Hyunchul; Sim, Jaeung; Song, Dalnim; Kim, Yonghwi; Kim, Jaheon; Kim, Kimoon; Lee, Eunsung","Synthetic control of coincidental formation of an N-heterocyclic carbene‒copper(i) complex and imidazolium cations within metal‒organic frameworks","CrystEngComm","2017","19","11","1528","","10.1039/C7CE00078B","","","0.71073","MoKα","","0.1057","0.0628","","","0.137","0.1583","","","","","","1.026","","","","has coordinates,has disorder","195041","2020-10-21","18:00:00",""
"7227692","6.6863","0.0011","33.34","0.004","11.325","0.0019","90","","107.156","0.005","90","","2412.3","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 Cl Cu N3 O10 -","- C20 H20 Cl Cu N3 O10 -","- C80 H80 Cl4 Cu4 N12 O40 -","4","1","","Lee, Hyun-Jung; Kwon, Hyunchul; Sim, Jaeung; Song, Dalnim; Kim, Yonghwi; Kim, Jaheon; Kim, Kimoon; Lee, Eunsung","Synthetic control of coincidental formation of an N-heterocyclic carbene‒copper(i) complex and imidazolium cations within metal‒organic frameworks","CrystEngComm","2017","19","11","1528","","10.1039/C7CE00078B","","","0.71073","MoKα","","0.1387","0.0632","","","0.1388","0.1696","","","","","","1.009","","","","has coordinates","195041","2020-10-21","18:00:00",""
"7227693","8.7638","0.0007","9.0088","0.0007","13.4894","0.0011","90.103","0.002","106.079","0.002","107.018","0.002","974.55","0.14","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H28 F2 Fe2 N8 S2 -","- C46 H28 F2 Fe2 N8 S2 -","- C46 H28 F2 Fe2 N8 S2 -","1","0.5","","Mochida, Tomoyuki; Funasako, Yusuke; Akasaka, Takahiro; Uruichi, Mikio; Mori, Hatsumi","Valence engineering of ionic molecular crystals: monovalent‒divalent phase diagram for biferrocene‒tetracyanoquinodimethane salts","CrystEngComm","2017","19","11","1449","","10.1039/C7CE00134G","","","0.71073","MoKα","","0.0585","0.0438","","","0.1068","0.1143","","","","","","1.048","","","","has coordinates,has disorder","195038","2020-10-21","18:00:00",""
"7227694","8.654","0.003","9.112","0.003","13.738","0.004","89.225","0.005","75.034","0.005","73.2","0.005","999.7","0.6","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H32 Cl2 Fe2 N8 -","- C48 H32 Cl2 Fe2 N8 -","- C48 H32 Cl2 Fe2 N8 -","1","0.5","","Mochida, Tomoyuki; Funasako, Yusuke; Akasaka, Takahiro; Uruichi, Mikio; Mori, Hatsumi","Valence engineering of ionic molecular crystals: monovalent‒divalent phase diagram for biferrocene‒tetracyanoquinodimethane salts","CrystEngComm","2017","19","11","1449","","10.1039/C7CE00134G","","","0.71073","MoKα","","0.1437","0.0783","","","0.1838","0.2199","","","","","","0.969","","","","has coordinates,has disorder","195038","2020-10-21","18:00:00",""
"7227695","8.7754","0.001","9.0556","0.0011","13.2444","0.0016","91.068","0.002","105.733","0.002","108.766","0.002","952.7","0.2","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H26 F4 Fe2 N8 S2 -","- C46 H26 F4 Fe2 N8 S2 -","- C46 H26 F4 Fe2 N8 S2 -","1","0.5","","Mochida, Tomoyuki; Funasako, Yusuke; Akasaka, Takahiro; Uruichi, Mikio; Mori, Hatsumi","Valence engineering of ionic molecular crystals: monovalent‒divalent phase diagram for biferrocene‒tetracyanoquinodimethane salts","CrystEngComm","2017","19","11","1449","","10.1039/C7CE00134G","","","0.71073","MoKα","","0.06","0.0465","","","0.1149","0.1227","","","","","","1.036","","","","has coordinates","195038","2020-10-21","18:00:00",""
"7227696","8.7951","0.0013","9.1673","0.0013","13.4002","0.0018","92.358","0.012","104.633","0.012","109.317","0.011","977.3","0.3","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H30 F4 Fe2 N8 -","- C48 H30 F4 Fe2 N8 -","- C48 H30 F4 Fe2 N8 -","1","0.5","","Mochida, Tomoyuki; Funasako, Yusuke; Akasaka, Takahiro; Uruichi, Mikio; Mori, Hatsumi","Valence engineering of ionic molecular crystals: monovalent‒divalent phase diagram for biferrocene‒tetracyanoquinodimethane salts","CrystEngComm","2017","19","11","1449","","10.1039/C7CE00134G","","","0.71069","MoKα","","0.0433","0.0314","","","0.0768","0.0811","","","","","","1.02","","","","has coordinates,has disorder","195038","2020-10-21","18:00:00",""
"7227697","8.8205","0.0008","9.0902","0.0008","13.6352","0.0013","90.168","0.002","104.444","0.002","107.949","0.002","1003.4","0.16","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H28 Cl2 Fe2 N8 S2 -","- C46 H28 Cl2 Fe2 N8 S2 -","- C46 H28 Cl2 Fe2 N8 S2 -","1","0.5","","Mochida, Tomoyuki; Funasako, Yusuke; Akasaka, Takahiro; Uruichi, Mikio; Mori, Hatsumi","Valence engineering of ionic molecular crystals: monovalent‒divalent phase diagram for biferrocene‒tetracyanoquinodimethane salts","CrystEngComm","2017","19","11","1449","","10.1039/C7CE00134G","","","0.71073","MoKα","","0.0805","0.0664","","","0.1705","0.1809","","","","","","1.046","","","","has coordinates,has disorder","195038","2020-10-21","18:00:00",""
"7227698","8.8175","0.0012","9.1617","0.0012","13.8108","0.0018","90.54","0.002","103.988","0.002","109.55","0.001","1015.2","0.2","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H26 Cl4 Fe2 N8 S2 -","- C46 H26 Cl4 Fe2 N8 S2 -","- C46 H26 Cl4 Fe2 N8 S2 -","1","0.5","","Mochida, Tomoyuki; Funasako, Yusuke; Akasaka, Takahiro; Uruichi, Mikio; Mori, Hatsumi","Valence engineering of ionic molecular crystals: monovalent‒divalent phase diagram for biferrocene‒tetracyanoquinodimethane salts","CrystEngComm","2017","19","11","1449","","10.1039/C7CE00134G","","","0.71073","MoKα","","0.05","0.0373","","","0.0839","0.0911","","","","","","1.027","","","","has coordinates","195038","2020-10-21","18:00:00",""
"7227699","8.77","0.0012","9.211","0.0012","13.5822","0.0019","89.993","0.003","75.599","0.003","71.823","0.003","1006.1","0.2","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H28 Cl2 Fe2 N8 Se2 -","- C46 H28 Cl2 Fe2 N8 Se2 -","- C46 H28 Cl2 Fe2 N8 Se2 -","1","0.5","","Mochida, Tomoyuki; Funasako, Yusuke; Akasaka, Takahiro; Uruichi, Mikio; Mori, Hatsumi","Valence engineering of ionic molecular crystals: monovalent‒divalent phase diagram for biferrocene‒tetracyanoquinodimethane salts","CrystEngComm","2017","19","11","1449","","10.1039/C7CE00134G","","","0.71073","MoKα","","0.1001","0.0599","","","0.1526","0.1787","","","","","","1.059","","","","has coordinates,has disorder","195038","2020-10-21","18:00:00",""
"7227700","8.7623","0.0009","9.125","0.001","13.4315","0.0014","90.012","0.002","106.064","0.002","107.409","0.002","980.68","0.18","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H28 F2 Fe2 N8 Se2 -","- C46 H28 F2 Fe2 N8 Se2 -","- C46 H28 F2 Fe2 N8 Se2 -","1","0.5","","Mochida, Tomoyuki; Funasako, Yusuke; Akasaka, Takahiro; Uruichi, Mikio; Mori, Hatsumi","Valence engineering of ionic molecular crystals: monovalent‒divalent phase diagram for biferrocene‒tetracyanoquinodimethane salts","CrystEngComm","2017","19","11","1449","","10.1039/C7CE00134G","","","0.71073","MoKα","","0.0603","0.041","","","0.1039","0.1132","","","","","","1.052","","","","has coordinates,has disorder","195038","2020-10-21","18:00:00",""
"7227703","7.3859","0.0005","15.9445","0.0012","8.7003","0.0006","90","","90","","90","","1024.59","0.13","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- B16 Gd7.5 O48 Sr12 Yb0.5 -","- B16 Gd7.496 O48 Sr12 Yb1.008 -","- B16 Gd7.496 O48 Sr12 Yb1.008 -","1","0.125","","Sun, Shijia; Wei, Qi; Lou, Fei; Huang, Yisheng; Yuan, Feifei; Zhang, Lizhen; Lin, Zhoubin","A promising ultrafast pulse laser crystal with a disordered structure: Yb3+:Sr3Gd2(BO3)4","CrystEngComm","2017","19","12","1620","","10.1039/C7CE00025A","","","0.71073","MoKα","","0.0476","0.0434","","","0.112","0.116","","","","","","1.096","","","","has coordinates,has disorder","195045","2020-10-21","18:00:00",""
"7227711","26.744","0.004","26.744","0.004","4.997","0.0001","90","","90","","120","","3095.2","0.7","100","2","100","2","","","","","","","","5","P 63","P 6c","173","","","","- C24 H20.67 Br N O4.33 -","- C24 H20 Br N O4.3333 -","- C144 H120 Br6 N6 O25.9998 -","6","1","","Pizzi, A.; Lascialfari, L.; Demitri, N.; Bertolani, A.; Maiolo, D.; Carretti, E.; Metrangolo, P.","Halogen bonding modulates hydrogel formation from Fmoc amino acids","CrystEngComm","2017","19","14","1870","","10.1039/C7CE00031F","","","0.7","Synchrotron","","0.1208","0.0691","","","0.1693","0.2006","","","","","","1.065","","","","has coordinates,has disorder","195037","2020-10-21","18:00:00",""
"7227712","4.92","0.001","13.034","0.003","36.789","0.007","90","","90","","90","","2359.2","0.9","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 F N O5 S -","- C26 H26 F N O5 S -","- C104 H104 F4 N4 O20 S4 -","4","1","","Pizzi, A.; Lascialfari, L.; Demitri, N.; Bertolani, A.; Maiolo, D.; Carretti, E.; Metrangolo, P.","Halogen bonding modulates hydrogel formation from Fmoc amino acids","CrystEngComm","2017","19","14","1870","","10.1039/C7CE00031F","","","0.8","Synchrotron","","0.1448","0.115","","","0.2979","0.3191","","","","","","1.081","","","","has coordinates,has disorder","195037","2020-10-21","18:00:00",""
"7227713","13.168","0.003","4.839","0.001","17.4","0.004","90","","111.41","0.03","90","","1032.2","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H20 Cl N O4 -","- C24 H20 Cl N O4 -","- C48 H40 Cl2 N2 O8 -","2","1","","Pizzi, A.; Lascialfari, L.; Demitri, N.; Bertolani, A.; Maiolo, D.; Carretti, E.; Metrangolo, P.","Halogen bonding modulates hydrogel formation from Fmoc amino acids","CrystEngComm","2017","19","14","1870","","10.1039/C7CE00031F","","","0.7","Synchrotron","","0.1171","0.0665","","","0.1645","0.1977","","","","","","1.016","","","","has coordinates","195037","2020-10-21","18:00:00",""
"7227714","26.878","0.004","26.878","0.004","4.999","0.001","90","","90","","120","","3127.6","0.9","100","2","100","2","","","","","","","","5","P 63","P 6c","173","","","","- C24 H20.67 I N O4.33 -","- C24 H20 I N O4.3333 -","- C144 H120 I6 N6 O25.9998 -","6","1","","Pizzi, A.; Lascialfari, L.; Demitri, N.; Bertolani, A.; Maiolo, D.; Carretti, E.; Metrangolo, P.","Halogen bonding modulates hydrogel formation from Fmoc amino acids","CrystEngComm","2017","19","14","1870","","10.1039/C7CE00031F","","","0.7","Synchrotron","","0.1424","0.0733","","","0.1554","0.1896","","","","","","1.014","","","","has coordinates,has disorder","195037","2020-10-21","18:00:00",""
"7227715","20.187","0.003","10.5943","0.0015","24.296","0.004","90","","90","","90","","5196.1","1.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C56 H52 Mn3 N5 O20 -","- C56 H52 Mn3 N5 O20 -","- C224 H208 Mn12 N20 O80 -","4","1","","Ye, Run-Ping; Zhang, Xin; Qin, Ye-Yan; Yao, Yuan-Gen","Combined influence of hydrogen bonds and π‒π interactions on the assembly of five manganese coordination polymers with magnetic properties","CrystEngComm","2017","19","12","1658","","10.1039/C7CE00004A","","","0.71073","MoKα","","0.043","0.0319","","","0.0663","0.0705","","","","","","1.032","","","","has coordinates","195044","2020-10-21","18:00:00",""
"7227716","8.8593","0.0012","9.9579","0.0015","14.811","0.003","103.45","0.007","97.543","0.005","90.896","0.007","1258.3","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H21 Mn N3 O8 -","- C26 H17 Mn N3 O8 -","- C52 H34 Mn2 N6 O16 -","2","1","","Ye, Run-Ping; Zhang, Xin; Qin, Ye-Yan; Yao, Yuan-Gen","Combined influence of hydrogen bonds and π‒π interactions on the assembly of five manganese coordination polymers with magnetic properties","CrystEngComm","2017","19","12","1658","","10.1039/C7CE00004A","","","0.71073","MoKα","","0.0755","0.0665","","","0.1913","0.2003","","","","","","1.058","","","","has coordinates,has disorder","195044","2020-10-21","18:00:00",""
"7227717","10.7524","0.0005","14.4645","0.0005","15.5968","0.0005","90","","100.955","0.003","90","","2381.54","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H19 Mn N3 O6 -","- C28 H19 Mn N3 O6 -","- C112 H76 Mn4 N12 O24 -","4","1","","Ye, Run-Ping; Zhang, Xin; Qin, Ye-Yan; Yao, Yuan-Gen","Combined influence of hydrogen bonds and π‒π interactions on the assembly of five manganese coordination polymers with magnetic properties","CrystEngComm","2017","19","12","1658","","10.1039/C7CE00004A","","","0.71073","MoKα","","0.0692","0.0494","","","0.1014","0.1201","","","","","","1.099","","","","has coordinates","195044","2020-10-21","18:00:00",""
"7227718","10.088","0.003","10.16","0.003","13.027","0.004","97.791","0.002","106.85","0.003","114.222","0.003","1114.7","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H21 Mn N2 O8 -","- C22 H21 Mn N2 O8 -","- C44 H42 Mn2 N4 O16 -","2","1","","Ye, Run-Ping; Zhang, Xin; Qin, Ye-Yan; Yao, Yuan-Gen","Combined influence of hydrogen bonds and π‒π interactions on the assembly of five manganese coordination polymers with magnetic properties","CrystEngComm","2017","19","12","1658","","10.1039/C7CE00004A","","","0.71073","MoKα","","0.0363","0.0341","","","0.099","0.1004","","","","","","1.073","","","","has coordinates","195044","2020-10-21","18:00:00",""
"7227719","9.7818","0.0007","12.9471","0.0006","13.4939","0.0009","90","","105.008","0.004","90","","1650.65","0.18","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H13 Mn N2 O5 -","- C21 H13 Mn N2 O5 -","- C84 H52 Mn4 N8 O20 -","4","1","","Ye, Run-Ping; Zhang, Xin; Qin, Ye-Yan; Yao, Yuan-Gen","Combined influence of hydrogen bonds and π‒π interactions on the assembly of five manganese coordination polymers with magnetic properties","CrystEngComm","2017","19","12","1658","","10.1039/C7CE00004A","","","0.71073","MoKα","","0.0451","0.0369","","","0.0904","0.093","","","","","","1.059","","","","has coordinates","195044","2020-10-21","18:00:00",""
"7227720","7.7079","0.0001","7.7079","0.0001","9.4483","0.0003","90","","90","","120","","486.135","0.018","298","","298","","","","","","","","","6","R 3 m :H","R 3 -2""","160","","","","- C3 H3 Cl Li N3 O3 -","- C3 H3 Cl Li N3 O3 -","- C9 H9 Cl3 Li3 N9 O9 -","3","0.166667","","Shemchuk, Oleksii; Braga, Dario; Maini, Lucia; Grepioni, Fabrizia","Anhydrous ionic co-crystals of cyanuric acid with LiCl and NaCl","CrystEngComm","2017","19","10","1366","","10.1039/C7CE00037E","powder diffraction","x-ray","0.775311","Synchrotron","","","","","","","","","0.0725","15.8185","","","","","","","has coordinates","195017","2020-10-21","18:00:00",""
"7227721","7.6807","0.0001","7.6807","0.0001","6.3662","0.0001","90","","90","","120","","325.246","0.008","298","","298","","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C3 H3 Cl N3 Na O3 -","- C3 H3 Cl N3 Na O3 -","- C6 H6 Cl2 N6 Na2 O6 -","2","0.0833333","","Shemchuk, Oleksii; Braga, Dario; Maini, Lucia; Grepioni, Fabrizia","Anhydrous ionic co-crystals of cyanuric acid with LiCl and NaCl","CrystEngComm","2017","19","10","1366","","10.1039/C7CE00037E","powder diffraction","x-ray","0.775311","Synchrotron","","","","","","","","","0.043","9.36586","","","","","","","has coordinates","195017","2020-10-21","18:00:00",""
"7227724","31.687","0.002","10.9573","0.0005","27.1488","0.0015","90","","115.982","0.006","90","","8473.5","0.9","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C82 H60 Co5 N12 O38 -","- C82 H58 Co5 N12 O38 -","- C328 H232 Co20 N48 O152 -","4","0.5","","Zhang, Jian-Yong; Shi, Jun-Xia; Chen, Liang-Yan; Jia, Qin-Xiang; Deng, Wei; Gao, En-Qing","N-donor auxiliary ligand-directed assembly of CoII compounds with a 2,2′-dinitro-biphenyl-4,4′-dicarboxylate ligand: structures and magnetic properties","CrystEngComm","2017","19","13","1738","","10.1039/C7CE00046D","","","0.71073","MoKα","","0.1172","0.0644","","","0.1332","0.165","","","","","","0.987","","","","has coordinates","195027","2020-10-21","18:00:00",""
"7227725","13.6157","0.0013","19.5109","0.0019","8.7982","0.0009","90","","96.577","0.001","90","","2321.9","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H14 Co N4 O8 -","- C24 H14 Co N4 O8 -","- C96 H56 Co4 N16 O32 -","4","0.5","","Zhang, Jian-Yong; Shi, Jun-Xia; Chen, Liang-Yan; Jia, Qin-Xiang; Deng, Wei; Gao, En-Qing","N-donor auxiliary ligand-directed assembly of CoII compounds with a 2,2′-dinitro-biphenyl-4,4′-dicarboxylate ligand: structures and magnetic properties","CrystEngComm","2017","19","13","1738","","10.1039/C7CE00046D","","","0.71073","MoKα","","0.0333","0.03","","","0.0797","0.0821","","","","","","1.035","","","","has coordinates","195027","2020-10-21","18:00:00",""
"7227726","17.4893","0.0016","12.6182","0.0011","24.895","0.0018","90","","90","","90","","5493.9","0.8","153","2","153","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H21 Co N6 O8.5 -","- C28 H20 Co N6 O8.5 -","- C224 H160 Co8 N48 O68 -","8","1","","Zhang, Jian-Yong; Shi, Jun-Xia; Chen, Liang-Yan; Jia, Qin-Xiang; Deng, Wei; Gao, En-Qing","N-donor auxiliary ligand-directed assembly of CoII compounds with a 2,2′-dinitro-biphenyl-4,4′-dicarboxylate ligand: structures and magnetic properties","CrystEngComm","2017","19","13","1738","","10.1039/C7CE00046D","","","0.71073","MoKα","","0.1088","0.0608","","","0.1048","0.125","","","","","","1.05","","","","has coordinates","195027","2020-10-21","18:00:00",""
"7227727","14.129","0.003","11.967","0.002","17.318","0.004","90","","107.944","0.002","90","","2785.7","1","296","2","296","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C26 H18 Co N6 O9 -","- C26 H16 Co N6 O9 -","- C104 H64 Co4 N24 O36 -","4","1","","Zhang, Jian-Yong; Shi, Jun-Xia; Chen, Liang-Yan; Jia, Qin-Xiang; Deng, Wei; Gao, En-Qing","N-donor auxiliary ligand-directed assembly of CoII compounds with a 2,2′-dinitro-biphenyl-4,4′-dicarboxylate ligand: structures and magnetic properties","CrystEngComm","2017","19","13","1738","","10.1039/C7CE00046D","","","0.71073","MoKα","","0.0925","0.067","","","0.2091","0.2321","","","","","","1.052","","","","has coordinates","195027","2020-10-21","18:00:00",""
"7227728","13.3233","0.0004","23.3778","0.0008","8.8535","0.0003","90","","93.832","0.003","90","","2751.43","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H18 Co N5 O8 -","- C29 H18 Co N5 O8 -","- C116 H72 Co4 N20 O32 -","4","1","","Zhang, Jian-Yong; Shi, Jun-Xia; Chen, Liang-Yan; Jia, Qin-Xiang; Deng, Wei; Gao, En-Qing","N-donor auxiliary ligand-directed assembly of CoII compounds with a 2,2′-dinitro-biphenyl-4,4′-dicarboxylate ligand: structures and magnetic properties","CrystEngComm","2017","19","13","1738","","10.1039/C7CE00046D","","","0.71073","MoKα","","0.0935","0.059","","","0.1272","0.147","","","","","","1.024","","","","has coordinates,has disorder","195027","2020-10-21","18:00:00",""
"7227732","13.51","0.005","14.382","0.005","18.388","0.007","90","","92.036","0.006","90","","3571","2","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H74 Cu5 Ho2 N10 O28 -","- C54 H74 Cu5 Ho2 N10 O28 -","- C108 H148 Cu10 Ho4 N20 O56 -","2","0.5","","Jiang, Lin; Liu, Bin; Zhao, Hao-Wen; Tian, Jin-Lei; Liu, Xin; Yan, Shi-Ping","Compartmental ligand approach for constructing 3d‒4f heterometallic [CuII5LnIII2] clusters: synthesis and magnetostructural properties","CrystEngComm","2017","19","13","1816","","10.1039/C6CE02519F","","","0.71073","MoKα","","0.0585","0.0379","","","0.0856","0.0964","","","","","","1.056","","","","has coordinates","195021","2020-10-21","18:00:00",""
"7227733","9.5585","0.0019","14.859","0.003","14.869","0.003","63.43","0.03","71.39","0.03","84.76","0.03","1786.7","0.9","113.15","","113.15","","","","","","","","","8","P -1","-P 1","2","","","","- C50 H78 Cu5 Eu2 F12 N4 O26 P2 -","- C50 H78 Cu5 Eu2 F12 N4 O26 P2 -","- C50 H78 Cu5 Eu2 F12 N4 O26 P2 -","1","0.5","","Jiang, Lin; Liu, Bin; Zhao, Hao-Wen; Tian, Jin-Lei; Liu, Xin; Yan, Shi-Ping","Compartmental ligand approach for constructing 3d‒4f heterometallic [CuII5LnIII2] clusters: synthesis and magnetostructural properties","CrystEngComm","2017","19","13","1816","","10.1039/C6CE02519F","","","0.71073","MoKα","","0.0387","0.0333","","","0.0813","0.0833","","","","","","0.9553","","","","has coordinates","195021","2020-10-21","18:00:00",""
"7227734","12.835","0.003","16.082","0.003","18.97","0.004","90","","105.8","0.03","90","","3767.7","1.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H96 Cu5 Dy2 N6 O34 -","- C58 H96 Cu5 Dy2 N6 O34 -","- C116 H192 Cu10 Dy4 N12 O68 -","2","0.5","","Jiang, Lin; Liu, Bin; Zhao, Hao-Wen; Tian, Jin-Lei; Liu, Xin; Yan, Shi-Ping","Compartmental ligand approach for constructing 3d‒4f heterometallic [CuII5LnIII2] clusters: synthesis and magnetostructural properties","CrystEngComm","2017","19","13","1816","","10.1039/C6CE02519F","","","0.71073","MoKα","","0.0672","0.0513","","","0.1114","0.124","","","","","","1.065","","","","has coordinates","195021","2020-10-21","18:00:00",""
"7227735","9.5555","0.0019","14.872","0.003","14.873","0.003","63.49","0.03","84.78","0.03","71.57","0.03","1791.2","0.9","113.15","","113.15","","","","","","","","","8","P -1","-P 1","2","","","","- C50 H74 Cu5 F12 N4 O26 P2 Sm2 -","- C50 H74 Cu5 F12 N4 O26 P2 Sm2 -","- C50 H74 Cu5 F12 N4 O26 P2 Sm2 -","1","0.5","","Jiang, Lin; Liu, Bin; Zhao, Hao-Wen; Tian, Jin-Lei; Liu, Xin; Yan, Shi-Ping","Compartmental ligand approach for constructing 3d‒4f heterometallic [CuII5LnIII2] clusters: synthesis and magnetostructural properties","CrystEngComm","2017","19","13","1816","","10.1039/C6CE02519F","","","0.71073","MoKα","","0.039","0.0335","","","0.0915","0.1049","","","","","","1.0134","","","","has coordinates,has disorder","195021","2020-10-21","18:00:00",""
"7227736","12.795","0.003","16.128","0.003","19.041","0.004","90","","105.99","0.03","90","","3777.2","1.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H96 Cu5 N6 O34 Tb2 -","- C58 H96 Cu5 N6 O34 Tb2 -","- C116 H192 Cu10 N12 O68 Tb4 -","2","0.5","","Jiang, Lin; Liu, Bin; Zhao, Hao-Wen; Tian, Jin-Lei; Liu, Xin; Yan, Shi-Ping","Compartmental ligand approach for constructing 3d‒4f heterometallic [CuII5LnIII2] clusters: synthesis and magnetostructural properties","CrystEngComm","2017","19","13","1816","","10.1039/C6CE02519F","","","0.71073","MoKα","","0.0683","0.0606","","","0.1606","0.1701","","","","","","1.065","","","","has coordinates","195021","2020-10-21","18:00:00",""
"7227737","12.8616","0.0003","16.2208","0.0004","18.8147","0.0005","90","","104.605","0.003","90","","3798.39","0.17","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H74 Cu5 N6 O30 Tm2 -","- C50 H74 Cu5 N6 O30 Tm2 -","- C100 H148 Cu10 N12 O60 Tm4 -","2","0.5","","Jiang, Lin; Liu, Bin; Zhao, Hao-Wen; Tian, Jin-Lei; Liu, Xin; Yan, Shi-Ping","Compartmental ligand approach for constructing 3d‒4f heterometallic [CuII5LnIII2] clusters: synthesis and magnetostructural properties","CrystEngComm","2017","19","13","1816","","10.1039/C6CE02519F","","","0.71073","MoKα","","0.081","0.0465","","","0.1125","0.129","","","","","","1.044","","","","has coordinates","195021","2020-10-21","18:00:00",""
"7227738","12.813","0.003","16.135","0.003","19.072","0.004","90","","105.84","0.03","90","","3793.2","1.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H96 Cu5 Gd2 N6 O34 -","- C58 H96 Cu5 Gd2 N6 O34 -","- C116 H192 Cu10 Gd4 N12 O68 -","2","0.5","","Jiang, Lin; Liu, Bin; Zhao, Hao-Wen; Tian, Jin-Lei; Liu, Xin; Yan, Shi-Ping","Compartmental ligand approach for constructing 3d‒4f heterometallic [CuII5LnIII2] clusters: synthesis and magnetostructural properties","CrystEngComm","2017","19","13","1816","","10.1039/C6CE02519F","","","0.71073","MoKα","","0.0563","0.0416","","","0.0903","0.1001","","","","","","1.041","","","","has coordinates","195021","2020-10-21","18:00:00",""
"7227739","12.964","0.005","16.269","0.006","19.079","0.007","90","","105.362","0.006","90","","3880","3","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H96 Cu5 N6 O34 Yb2 -","- C58 H96 Cu5 N6 O34 Yb2 -","- C116 H192 Cu10 N12 O68 Yb4 -","2","0.5","","Jiang, Lin; Liu, Bin; Zhao, Hao-Wen; Tian, Jin-Lei; Liu, Xin; Yan, Shi-Ping","Compartmental ligand approach for constructing 3d‒4f heterometallic [CuII5LnIII2] clusters: synthesis and magnetostructural properties","CrystEngComm","2017","19","13","1816","","10.1039/C6CE02519F","","","0.71073","MoKα","","0.053","0.0364","","","0.0873","0.1023","","","","","","1.153","","","","has coordinates","195021","2020-10-21","18:00:00",""
"7227740","10.0009","0.0005","10.7218","0.0005","21.5824","0.0011","81.629","0.003","81.306","0.003","73.137","0.003","2176.58","0.19","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H64 N4 O6 -","- C44 H64 N4 O6 -","- C88 H128 N8 O12 -","2","1","","Martins, Felipe Terra; Maia, Lauro June Queiroz; da Silva Neto, Leonardo; da Silva, Cleiton Moreira; Sarotti, Ariel M.; de Fátima, Ângelo","Solvatomorphs of 25,26,27,28-tetrahydroxycalix[4]arene and 5,11,17,23-tetramino-25,26,27,28-tetrabutoxycalix[4]arene: quenching photoluminescence through switching the guest","CrystEngComm","2017","19","13","1792","","10.1039/C6CE02649D","","","0.71073","MoKα","","0.1297","0.0704","","","0.2011","0.2377","","","","","","1.037","","","","has coordinates,has disorder","195023","2020-10-21","18:00:00",""
"7227741","18.536","0.0013","33.68","0.003","16.0933","0.0011","90","","113.747","0.004","90","","9196.3","1.2","296","2","296","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- C88 H90 O17 -","- C88 H90 O17 -","- C352 H360 O68 -","4","0.5","","Martins, Felipe Terra; Maia, Lauro June Queiroz; da Silva Neto, Leonardo; da Silva, Cleiton Moreira; Sarotti, Ariel M.; de Fátima, Ângelo","Solvatomorphs of 25,26,27,28-tetrahydroxycalix[4]arene and 5,11,17,23-tetramino-25,26,27,28-tetrabutoxycalix[4]arene: quenching photoluminescence through switching the guest","CrystEngComm","2017","19","13","1792","","10.1039/C6CE02649D","","","0.71073","MoKα","","0.2162","0.1648","","","0.4357","0.4633","","","","","","1.481","","","","has coordinates","195023","2020-10-21","18:00:00",""
"7227742","17.286","0.003","18.154","0.003","18.412","0.003","114.488","0.009","93.801","0.009","116.859","0.009","4456.2","1.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H36 O6 S2 -","- C32 H36 O6 S2 -","- C192 H216 O36 S12 -","6","3","","Martins, Felipe Terra; Maia, Lauro June Queiroz; da Silva Neto, Leonardo; da Silva, Cleiton Moreira; Sarotti, Ariel M.; de Fátima, Ângelo","Solvatomorphs of 25,26,27,28-tetrahydroxycalix[4]arene and 5,11,17,23-tetramino-25,26,27,28-tetrabutoxycalix[4]arene: quenching photoluminescence through switching the guest","CrystEngComm","2017","19","13","1792","","10.1039/C6CE02649D","","","0.71073","MoKα","","0.2972","0.1415","","","0.3582","0.4586","","","","","","1.114","","","","has coordinates","195023","2020-10-21","18:00:00",""
"7227743","47.845","0.009","10.2532","0.0012","19.755","0.004","90","","102.025","0.011","90","","9478","3","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C46 H70 N4 O7 S -","- C46 H70 N4 O7 S -","- C368 H560 N32 O56 S8 -","8","2","","Martins, Felipe Terra; Maia, Lauro June Queiroz; da Silva Neto, Leonardo; da Silva, Cleiton Moreira; Sarotti, Ariel M.; de Fátima, Ângelo","Solvatomorphs of 25,26,27,28-tetrahydroxycalix[4]arene and 5,11,17,23-tetramino-25,26,27,28-tetrabutoxycalix[4]arene: quenching photoluminescence through switching the guest","CrystEngComm","2017","19","13","1792","","10.1039/C6CE02649D","","","0.71073","MoKα","","0.1799","0.0795","","","0.1958","0.2472","","","","","","0.961","","","","has coordinates,has disorder","195023","2020-10-21","18:00:00",""
"7227744","11.0733","0.0007","6.1594","0.0003","15.85","0.0012","90","","110.183","0.002","90","","1014.67","0.11","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4,4'-2Me-1,4-bis(5-phenylfuran-2-yl)benzene","","- C28 H22 O2 -","- C28 H22 O2 -","- C56 H44 O4 -","2","0.5","","Kazantsev, Maxim S.; Beloborodova, Alina A.; Frantseva, Ekaterina S.; Rybalova, Tatyana V.; Konstantinov, Vladislav G.; Shundrina, Inna K.; Paraschuk, Dmitry Yu.; Mostovich, Evgeny A.","Methyl substituent effect on structure, luminescence and semiconducting properties of furan/phenylene co-oligomer single crystals","CrystEngComm","2017","19","13","1809","","10.1039/C6CE02565J","","","0.71073","MoKα","","0.0456","0.0355","","","0.1034","0.1258","","","","","","1.157","","","","has coordinates","195025","2020-10-21","18:00:00",""
"7227745","20.407","0.004","7.2998","0.0014","6.2","0.0011","90","","97.773","0.006","90","","915.1","0.3","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,4-bis(5-phenylfuran-2-yl)benzene","","- C26 H18 O2 -","- C26 H18 O2 -","- C52 H36 O4 -","2","0.5","","Kazantsev, Maxim S.; Beloborodova, Alina A.; Frantseva, Ekaterina S.; Rybalova, Tatyana V.; Konstantinov, Vladislav G.; Shundrina, Inna K.; Paraschuk, Dmitry Yu.; Mostovich, Evgeny A.","Methyl substituent effect on structure, luminescence and semiconducting properties of furan/phenylene co-oligomer single crystals","CrystEngComm","2017","19","13","1809","","10.1039/C6CE02565J","","","0.71073","MoKα","","0.0863","0.0567","","","0.1454","0.1719","","","","","","1.189","","","","has coordinates","195025","2020-10-21","18:00:00",""
"7227746","13.2404","0.0006","5.4901","0.0002","15.3541","0.0007","90","","90.015","0.002","90","","1116.11","0.08","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3,5,3',5'-4Me-1,4-bis(5-phenylfuran-2-yl)benzene","","- C30 H26 O2 -","- C30 H26 O2 -","- C60 H52 O4 -","2","0.5","","Kazantsev, Maxim S.; Beloborodova, Alina A.; Frantseva, Ekaterina S.; Rybalova, Tatyana V.; Konstantinov, Vladislav G.; Shundrina, Inna K.; Paraschuk, Dmitry Yu.; Mostovich, Evgeny A.","Methyl substituent effect on structure, luminescence and semiconducting properties of furan/phenylene co-oligomer single crystals","CrystEngComm","2017","19","13","1809","","10.1039/C6CE02565J","","","0.71073","MoKα","","0.0662","0.0494","","","0.1383","0.1815","","","","","","1.233","","","","has coordinates","195025","2020-10-21","18:00:00",""
"7227747","39.169","0.008","7.5511","0.0015","16.702","0.003","90","","95.27","0.03","90","","4919.1","1.7","293","2","293","2","","","","","","","synthesis as described","4","C 1 2 1","C 2y","5","","2,5-Bis(17alpha-ethynyl-5delta-androst-2-en-17beta-ol)-4-nitroaniline","","- C48 H62 N2 O4 -","- C48 H62 N2 O4 -","- C192 H248 N8 O16 -","4","1","","Aguilar-Valdez, Nancy; Maldonado-Domínguez, Mauricio; Arcos-Ramos, Rafael; Romero-Ávila, Margarita; Santillan, Rosa; Farfán, Norberto","Synthesis of steroidal molecular compasses: exploration of the controlled assembly of solid organic materials","CrystEngComm","2017","19","13","1771","","10.1039/C7CE00157F","","x-ray","0.71073","MoKα","","0.1544","0.0873","","","0.2242","0.2703","","","","","","1.012","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7227748","11.8249","0.0002","13.9462","0.0003","26.1937","0.0005","90","","90","","90","","4319.67","0.14","173","2","173","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","2,5-Bis(17alpha-ethynyl-estra-1,3,5-(10)-trien-17beta-ol-3-methyl ether)-4-nitroaniline","","- C48 H54 N2 O6 -","- C48 H54 N2 O6 -","- C192 H216 N8 O24 -","4","1","","Aguilar-Valdez, Nancy; Maldonado-Domínguez, Mauricio; Arcos-Ramos, Rafael; Romero-Ávila, Margarita; Santillan, Rosa; Farfán, Norberto","Synthesis of steroidal molecular compasses: exploration of the controlled assembly of solid organic materials","CrystEngComm","2017","19","13","1771","","10.1039/C7CE00157F","","x-ray","0.71073","MoKα","","0.0843","0.0547","","","0.1386","0.1544","","","","","","1.03","","","","has coordinates","195026","2020-10-21","18:00:00",""
"7227749","13.3831","0.0012","10.0721","0.0008","11.1876","0.0011","90","","90.401","0.009","90","","1508","0.2","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Br2 Hg N2 S2 -","- C10 H8 Br2 Hg N2 S2 -","- C40 H32 Br8 Hg4 N8 S8 -","4","0.5","","Azhdari Tehrani, Alireza; Ghasempour, Hosein; Morsali, Ali; Bauzá, Antonio; Frontera, Antonio; Retailleau, Pascal","Unraveling the dual character of sulfur atoms in a series of Hg(ii) coordination polymers containing bis(4-pyridyl)disulfide","CrystEngComm","2017","19","14","1974","","10.1039/C7CE00033B","","x-ray","0.71073","MoKα","","0.0438","0.0354","","","0.0866","0.0898","","","","","","1.028","","","","has coordinates","195034","2020-10-21","18:00:00",""
"7227750","12.9022","0.001","9.8132","0.0011","11.2707","0.0008","90","","93.389","0.007","90","","1424.5","0.2","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Cl2 Hg N2 S2 -","- C10 H8 Cl2 Hg N2 S2 -","- C40 H32 Cl8 Hg4 N8 S8 -","4","0.5","","Azhdari Tehrani, Alireza; Ghasempour, Hosein; Morsali, Ali; Bauzá, Antonio; Frontera, Antonio; Retailleau, Pascal","Unraveling the dual character of sulfur atoms in a series of Hg(ii) coordination polymers containing bis(4-pyridyl)disulfide","CrystEngComm","2017","19","14","1974","","10.1039/C7CE00033B","","","0.71075","MoKα","","0.0205","0.0178","","","0.0357","0.0361","","","","","","0.883","","","","has coordinates","195034","2020-10-21","18:00:00",""
"7227751","13.9527","0.0011","10.2881","0.0008","10.9667","0.0009","90","","94.445","0.009","90","","1569.5","0.2","173","","173","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Hg I2 N2 S2 -","- C10 H8 Hg I2 N2 S2 -","- C40 H32 Hg4 I8 N8 S8 -","4","0.5","","Azhdari Tehrani, Alireza; Ghasempour, Hosein; Morsali, Ali; Bauzá, Antonio; Frontera, Antonio; Retailleau, Pascal","Unraveling the dual character of sulfur atoms in a series of Hg(ii) coordination polymers containing bis(4-pyridyl)disulfide","CrystEngComm","2017","19","14","1974","","10.1039/C7CE00033B","","","0.71075","MoKα","","0.0197","0.0177","","","0.0409","0.0414","","","","","","1.035","","","","has coordinates","195034","2020-10-21","18:00:00",""
"7227752","9.7948","0.0005","10.1059","0.0005","22.8628","0.0011","90","","101.365","0.001","90","","2218.71","0.19","200.15","","200.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Mn(saltmen)(Hfmac)]","[Mn(saltmen)(Hfmac)]","","- C24 H25 Mn N2 O6 -","- C24 H25 Mn N2 O6 -","- C96 H100 Mn4 N8 O24 -","4","1","","Su, Yu-Jun; Wei, Ke-Xin; Huang, Bo; Xu, Wei-Jian; Zhang, Wei-Xiong; Zeng, Ming-Hua; Chen, Xiao-Ming","Deformable Mn(iii)‒Schiff-base dimer for anomalously large positive and negative anisotropic thermal expansions","CrystEngComm","2017","19","13","1725","","10.1039/C7CE00292K","","","0.71073","MoKα","","0.0479","0.0412","","","0.1074","0.1115","","","","","","1.07","","","","has coordinates,has disorder","195029","2020-10-21","18:00:00",""
"7227753","9.8352","0.0005","10.4074","0.0005","22.6698","0.0011","90","","101.884","0.001","90","","2270.72","0.19","350.15","","350.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Mn(saltmen)(Hfmac)]","[Mn(saltmen)(Hfmac)]","","- C24 H25 Mn N2 O6 -","- C24 H25 Mn N2 O6 -","- C96 H100 Mn4 N8 O24 -","4","1","","Su, Yu-Jun; Wei, Ke-Xin; Huang, Bo; Xu, Wei-Jian; Zhang, Wei-Xiong; Zeng, Ming-Hua; Chen, Xiao-Ming","Deformable Mn(iii)‒Schiff-base dimer for anomalously large positive and negative anisotropic thermal expansions","CrystEngComm","2017","19","13","1725","","10.1039/C7CE00292K","","","0.71073","MoKα","","0.0598","0.0449","","","0.114","0.1239","","","","","","1.071","","","","has coordinates,has disorder","195029","2020-10-21","18:00:00",""
"7227754","9.7701","0.0013","10.0137","0.0013","22.834","0.003","90","","101.106","0.004","90","","2192.1","0.5","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Mn(saltmen)(Hfmac)]","[Mn(saltmen)(Hfmac)]","","- C24 H25 Mn N2 O6 -","- C24 H25 Mn N2 O6 -","- C96 H100 Mn4 N8 O24 -","4","1","","Su, Yu-Jun; Wei, Ke-Xin; Huang, Bo; Xu, Wei-Jian; Zhang, Wei-Xiong; Zeng, Ming-Hua; Chen, Xiao-Ming","Deformable Mn(iii)‒Schiff-base dimer for anomalously large positive and negative anisotropic thermal expansions","CrystEngComm","2017","19","13","1725","","10.1039/C7CE00292K","","","0.71073","MoKα","","0.0694","0.0598","","","0.1527","0.1603","","","","","","1.058","","","","has coordinates,has disorder","195029","2020-10-21","18:00:00",""
"7227755","9.8143","0.0004","10.2937","0.0004","22.7516","0.0008","90","","101.785","0.001","90","","2250.04","0.15","300","","300","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Mn(saltmen)(Hfmac)]","[Mn(saltmen)(Hfmac)]","","- C24 H25 Mn N2 O6 -","- C24 H25 Mn N2 O6 -","- C96 H100 Mn4 N8 O24 -","4","1","","Su, Yu-Jun; Wei, Ke-Xin; Huang, Bo; Xu, Wei-Jian; Zhang, Wei-Xiong; Zeng, Ming-Hua; Chen, Xiao-Ming","Deformable Mn(iii)‒Schiff-base dimer for anomalously large positive and negative anisotropic thermal expansions","CrystEngComm","2017","19","13","1725","","10.1039/C7CE00292K","","","0.71073","MoKα","","0.0519","0.0436","","","0.1134","0.1184","","","","","","1.044","","","","has coordinates,has disorder","195029","2020-10-21","18:00:00",""
"7227756","9.808","0.0003","10.2049","0.0004","22.817","0.0008","90","","101.631","0.001","90","","2236.85","0.14","250.15","","250.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Mn(saltmen)(Hfmac)]","[Mn(saltmen)(Hfmac)]","","- C24 H25 Mn N2 O6 -","- C24 H25 Mn N2 O6 -","- C96 H100 Mn4 N8 O24 -","4","1","","Su, Yu-Jun; Wei, Ke-Xin; Huang, Bo; Xu, Wei-Jian; Zhang, Wei-Xiong; Zeng, Ming-Hua; Chen, Xiao-Ming","Deformable Mn(iii)‒Schiff-base dimer for anomalously large positive and negative anisotropic thermal expansions","CrystEngComm","2017","19","13","1725","","10.1039/C7CE00292K","","","0.71073","MoKα","","0.0431","0.0372","","","0.097","0.101","","","","","","1.041","","","","has coordinates,has disorder","195029","2020-10-21","18:00:00",""
"7227757","10.8035","0.0006","11.0281","0.0006","16.5111","0.0008","83.101","0.004","78.246","0.004","86.292","0.004","1910.34","0.18","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H20 Cl2 N2 O19 Pb4 S4 -","- C26 H20 Cl2 N2 O19 Pb4 S4 -","- C52 H40 Cl4 N4 O38 Pb8 S8 -","2","1","","Huang, Guo-Zhen; Zou, Xin; Zhu, Zhi-Biao; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Effect of ligand configurations, secondary Pb‒O interactions and auxiliary ligands on Pb(ii)‒mono/disulfonate complexes: syntheses, structures, and luminescence properties","CrystEngComm","2017","19","13","1778","","10.1039/C7CE00071E","","","0.71073","MoKα","","0.0639","0.0434","","","0.0682","0.076","","","","","","1.001","","","","has coordinates","195030","2020-10-21","18:00:00",""
"7227758","33.4445","0.0016","10.358","0.0005","7.975","0.0003","90","","101.332","0.004","90","","2708.8","0.2","295","2","295","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C11 H9 Cl N O5 Pb S -","- C11 H9 Cl N O5 Pb S -","- C88 H72 Cl8 N8 O40 Pb8 S8 -","8","1","","Huang, Guo-Zhen; Zou, Xin; Zhu, Zhi-Biao; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Effect of ligand configurations, secondary Pb‒O interactions and auxiliary ligands on Pb(ii)‒mono/disulfonate complexes: syntheses, structures, and luminescence properties","CrystEngComm","2017","19","13","1778","","10.1039/C7CE00071E","","","0.71073","MoKα","","0.0768","0.0621","","","0.1739","0.1876","","","","","","1.024","","","","has coordinates","195030","2020-10-21","18:00:00",""
"7227759","7.1884","0.0005","10.6571","0.0007","12.4644","0.0008","92.225","0.005","91.08","0.006","109.457","0.006","899.14","0.11","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H8 Cl2 O9 Pb2 S2 -","- C12 H8 Cl2 O9 Pb2 S2 -","- C24 H16 Cl4 O18 Pb4 S4 -","2","1","","Huang, Guo-Zhen; Zou, Xin; Zhu, Zhi-Biao; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Effect of ligand configurations, secondary Pb‒O interactions and auxiliary ligands on Pb(ii)‒mono/disulfonate complexes: syntheses, structures, and luminescence properties","CrystEngComm","2017","19","13","1778","","10.1039/C7CE00071E","","","0.71073","MoKα","","0.0567","0.04","","","0.0724","0.0783","","","","","","1.003","","","","has coordinates","195030","2020-10-21","18:00:00",""
"7227760","7.5895","0.0004","13.3371","0.0006","16.5241","0.0006","90","","92.337","0.004","90","","1671.21","0.13","295","2","295","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H22 Cl2 N4 O8 Pb2 S2 -","- C32 H22 Cl2 N4 O8 Pb2 S2 -","- C64 H44 Cl4 N8 O16 Pb4 S4 -","2","0.5","","Huang, Guo-Zhen; Zou, Xin; Zhu, Zhi-Biao; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Effect of ligand configurations, secondary Pb‒O interactions and auxiliary ligands on Pb(ii)‒mono/disulfonate complexes: syntheses, structures, and luminescence properties","CrystEngComm","2017","19","13","1778","","10.1039/C7CE00071E","","","0.71073","MoKα","","0.0615","0.0436","","","0.0873","0.0964","","","","","","1.043","","","","has coordinates","195030","2020-10-21","18:00:00",""
"7227761","7.712","0.0003","9.8706","0.0005","17.3297","0.0008","90","","95.495","0.004","90","","1313.11","0.1","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H9 Cl O10 Pb S2 -","- C6 H9 Cl O10 Pb S2 -","- C24 H36 Cl4 O40 Pb4 S8 -","4","1","","Huang, Guo-Zhen; Zou, Xin; Zhu, Zhi-Biao; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Effect of ligand configurations, secondary Pb‒O interactions and auxiliary ligands on Pb(ii)‒mono/disulfonate complexes: syntheses, structures, and luminescence properties","CrystEngComm","2017","19","13","1778","","10.1039/C7CE00071E","","","0.71073","MoKα","","0.0624","0.0465","","","0.0947","0.1032","","","","","","1.024","","","","has coordinates","195030","2020-10-21","18:00:00",""
"7227762","9.9814","0.0005","14.3511","0.0008","14.5242","0.0008","70.188","0.005","83.453","0.005","87.315","0.005","1944.52","0.19","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H26 Cl2 N2 O21 Pb3 S4 -","- C24 H26 Cl2 N2 O21 Pb3 S4 -","- C48 H52 Cl4 N4 O42 Pb6 S8 -","2","1","","Huang, Guo-Zhen; Zou, Xin; Zhu, Zhi-Biao; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Effect of ligand configurations, secondary Pb‒O interactions and auxiliary ligands on Pb(ii)‒mono/disulfonate complexes: syntheses, structures, and luminescence properties","CrystEngComm","2017","19","13","1778","","10.1039/C7CE00071E","","","0.71073","MoKα","","0.0731","0.0485","","","0.0984","0.11","","","","","","1.025","","","","has coordinates","195030","2020-10-21","18:00:00",""
"7227763","9.3621","0.0006","9.7551","0.0005","10.9477","0.0008","80.577","0.005","69.059","0.006","88.515","0.005","920.62","0.11","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H26 Cl2 N4 O10 Pb2 S2 -","- C36 H26 Cl2 N4 O10 Pb2 S2 -","- C36 H26 Cl2 N4 O10 Pb2 S2 -","1","0.5","","Huang, Guo-Zhen; Zou, Xin; Zhu, Zhi-Biao; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Effect of ligand configurations, secondary Pb‒O interactions and auxiliary ligands on Pb(ii)‒mono/disulfonate complexes: syntheses, structures, and luminescence properties","CrystEngComm","2017","19","13","1778","","10.1039/C7CE00071E","","","0.71073","MoKα","","0.0518","0.0393","","","0.0616","0.0662","","","","","","1.005","","","","has coordinates","195030","2020-10-21","18:00:00",""
"7227764","8.5537","0.001","9.2608","0.0015","13.8202","0.0014","99.041","0.011","102.3","0.009","108.323","0.012","985.3","0.2","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H15 Cl N2 O9 Pb S2 -","- C16 H15 Cl N2 O9 Pb S2 -","- C32 H30 Cl2 N4 O18 Pb2 S4 -","2","1","","Huang, Guo-Zhen; Zou, Xin; Zhu, Zhi-Biao; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Effect of ligand configurations, secondary Pb‒O interactions and auxiliary ligands on Pb(ii)‒mono/disulfonate complexes: syntheses, structures, and luminescence properties","CrystEngComm","2017","19","13","1778","","10.1039/C7CE00071E","","","0.71073","MoKα","","0.0702","0.0555","","","0.1197","0.1302","","","","","","1.04","","","","has coordinates","195030","2020-10-21","18:00:00",""
"7227795","9.4916","0.0003","22.4131","0.0007","10.1084","0.0003","90","","102.5","0.001","90","","2099.45","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N3 O17 Tb2 -","- C14 H11 N3 O17 Tb2 -","- C56 H44 N12 O68 Tb8 -","4","1","","Zhang, Li-Yang; Lu, Li-Ping; Zhu, Miao-Li; Feng, Si-Si","Self-assembly of lanthanide(iii) coordination polymers from a bifunctional 2-(pyridin-2-yl)-1H-imidazole-4,5-dicarboxylate ligand with the assistance of oxalate: syntheses, structures, luminescence, and magnetic properties","CrystEngComm","2017","19","14","1953","","10.1039/C7CE00149E","","","0.71073","MoKα","","0.0247","0.0195","","","0.0424","0.0441","","","","","","1.048","","","","has coordinates","195035","2020-10-21","18:00:00",""
"7227796","9.428","0.0019","22.415","0.005","10.051","0.002","90","","102.12","0.03","90","","2076.7","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 Dy2 N3 O17 -","- C14 H15 Dy2 N3 O17 -","- C56 H60 Dy8 N12 O68 -","4","1","","Zhang, Li-Yang; Lu, Li-Ping; Zhu, Miao-Li; Feng, Si-Si","Self-assembly of lanthanide(iii) coordination polymers from a bifunctional 2-(pyridin-2-yl)-1H-imidazole-4,5-dicarboxylate ligand with the assistance of oxalate: syntheses, structures, luminescence, and magnetic properties","CrystEngComm","2017","19","14","1953","","10.1039/C7CE00149E","","","0.72","synchrotron","","0.0248","0.023","","","0.0516","0.0525","","","","","","1.038","","","","has coordinates","195035","2020-10-21","18:00:00",""
"7227797","9.574","0.0019","22.547","0.005","10.122","0.002","90","","102.04","0.03","90","","2136.9","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 Eu2 N3 O17 -","- C14 H15 Eu2 N3 O17 -","- C56 H60 Eu8 N12 O68 -","4","1","","Zhang, Li-Yang; Lu, Li-Ping; Zhu, Miao-Li; Feng, Si-Si","Self-assembly of lanthanide(iii) coordination polymers from a bifunctional 2-(pyridin-2-yl)-1H-imidazole-4,5-dicarboxylate ligand with the assistance of oxalate: syntheses, structures, luminescence, and magnetic properties","CrystEngComm","2017","19","14","1953","","10.1039/C7CE00149E","","","0.72","synchrotron","","0.0331","0.0293","","","0.0736","0.0754","","","","","","1.014","","","","has coordinates","195035","2020-10-21","18:00:00",""
"7227798","9.59","0.0019","22.621","0.005","10.129","0.002","90","","101.61","0.03","90","","2152.4","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14.75 N3 O17 Sm2 -","- C14 H11 N3 O16.87 Sm2 -","- C56 H44 N12 O67.48 Sm8 -","4","1","","Zhang, Li-Yang; Lu, Li-Ping; Zhu, Miao-Li; Feng, Si-Si","Self-assembly of lanthanide(iii) coordination polymers from a bifunctional 2-(pyridin-2-yl)-1H-imidazole-4,5-dicarboxylate ligand with the assistance of oxalate: syntheses, structures, luminescence, and magnetic properties","CrystEngComm","2017","19","14","1953","","10.1039/C7CE00149E","","","0.72","synchrotron","","0.025","0.0243","","","0.0563","0.0568","","","","","","1.042","","","","has coordinates","195035","2020-10-21","18:00:00",""
"7227799","9.5261","0.0007","22.4729","0.0016","10.1216","0.0007","90","","102.263","0.002","90","","2117.4","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 Gd2 N3 O17 -","- C14 H15 Gd2 N3 O17 -","- C56 H60 Gd8 N12 O68 -","4","1","","Zhang, Li-Yang; Lu, Li-Ping; Zhu, Miao-Li; Feng, Si-Si","Self-assembly of lanthanide(iii) coordination polymers from a bifunctional 2-(pyridin-2-yl)-1H-imidazole-4,5-dicarboxylate ligand with the assistance of oxalate: syntheses, structures, luminescence, and magnetic properties","CrystEngComm","2017","19","14","1953","","10.1039/C7CE00149E","","","0.71073","MoKα","","0.031","0.022","","","0.0401","0.0427","","","","","","1.039","","","","has coordinates","195035","2020-10-21","18:00:00",""
"7227800","7.1614","0.0008","19.471","0.002","8.7123","0.0009","90","","92.426","0.002","90","","1213.8","0.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H7 La N3 O7 -","- C11 H5 La N3 O7 -","- C44 H20 La4 N12 O28 -","4","1","","Zhang, Li-Yang; Lu, Li-Ping; Zhu, Miao-Li; Feng, Si-Si","Self-assembly of lanthanide(iii) coordination polymers from a bifunctional 2-(pyridin-2-yl)-1H-imidazole-4,5-dicarboxylate ligand with the assistance of oxalate: syntheses, structures, luminescence, and magnetic properties","CrystEngComm","2017","19","14","1953","","10.1039/C7CE00149E","","","0.71073","MoKα","","0.0328","0.0261","","","0.0487","0.0497","","","","","","1.67","","","","has coordinates","195035","2020-10-21","18:00:00",""
"7227801","9.612","0.0019","22.868","0.005","10.159","0.002","90","","101.07","0.03","90","","2191.5","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N3 O17 Pr2 -","- C14 H15 N3 O17 Pr2 -","- C56 H60 N12 O68 Pr8 -","4","1","","Zhang, Li-Yang; Lu, Li-Ping; Zhu, Miao-Li; Feng, Si-Si","Self-assembly of lanthanide(iii) coordination polymers from a bifunctional 2-(pyridin-2-yl)-1H-imidazole-4,5-dicarboxylate ligand with the assistance of oxalate: syntheses, structures, luminescence, and magnetic properties","CrystEngComm","2017","19","14","1953","","10.1039/C7CE00149E","","","0.72","synchrotron","","0.0206","0.0205","","","0.0554","0.0554","","","","","","1.15","","","","has coordinates","195035","2020-10-21","18:00:00",""
"7227802","9.594","0.0019","22.789","0.005","10.146","0.002","90","","101.32","0.03","90","","2175.1","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N3 Nd2 O17 -","- C14 H15 N3 Nd2 O17 -","- C56 H60 N12 Nd8 O68 -","4","1","","Zhang, Li-Yang; Lu, Li-Ping; Zhu, Miao-Li; Feng, Si-Si","Self-assembly of lanthanide(iii) coordination polymers from a bifunctional 2-(pyridin-2-yl)-1H-imidazole-4,5-dicarboxylate ligand with the assistance of oxalate: syntheses, structures, luminescence, and magnetic properties","CrystEngComm","2017","19","14","1953","","10.1039/C7CE00149E","","","0.72","synchrotron","","0.02","0.0187","","","0.0479","0.0486","","","","","","1.041","","","","has coordinates","195035","2020-10-21","18:00:00",""
"7227803","7.086","0.0014","19.48","0.004","8.677","0.0017","90","","92.55","0.03","90","","1196.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H7 Ce N3 O7 -","- C11 H7 Ce N3 O7 -","- C44 H28 Ce4 N12 O28 -","4","1","","Zhang, Li-Yang; Lu, Li-Ping; Zhu, Miao-Li; Feng, Si-Si","Self-assembly of lanthanide(iii) coordination polymers from a bifunctional 2-(pyridin-2-yl)-1H-imidazole-4,5-dicarboxylate ligand with the assistance of oxalate: syntheses, structures, luminescence, and magnetic properties","CrystEngComm","2017","19","14","1953","","10.1039/C7CE00149E","","","0.7","synchrotron","","0.0303","0.028","","","0.076","0.078","","","","","","1.053","","","","has coordinates","195035","2020-10-21","18:00:00",""
"7227804","9.4056","0.0006","22.3152","0.0015","10.082","0.0007","90","","102.96","0.002","90","","2062.2","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 Er2 N3 O17 -","- C14 H11 Er2 N3 O17 -","- C56 H44 Er8 N12 O68 -","4","1","","Zhang, Li-Yang; Lu, Li-Ping; Zhu, Miao-Li; Feng, Si-Si","Self-assembly of lanthanide(iii) coordination polymers from a bifunctional 2-(pyridin-2-yl)-1H-imidazole-4,5-dicarboxylate ligand with the assistance of oxalate: syntheses, structures, luminescence, and magnetic properties","CrystEngComm","2017","19","14","1953","","10.1039/C7CE00149E","","","0.71073","MoKα","","0.0328","0.0238","","","0.0507","0.0537","","","","","","1.056","","","","has coordinates","195035","2020-10-21","18:00:00",""
"7227805","9.4299","0.0003","22.3272","0.0008","10.0874","0.0004","90","","102.817","0.001","90","","2070.92","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 Ho2 N3 O17 -","- C14 H11 Ho2 N3 O17 -","- C56 H44 Ho8 N12 O68 -","4","1","","Zhang, Li-Yang; Lu, Li-Ping; Zhu, Miao-Li; Feng, Si-Si","Self-assembly of lanthanide(iii) coordination polymers from a bifunctional 2-(pyridin-2-yl)-1H-imidazole-4,5-dicarboxylate ligand with the assistance of oxalate: syntheses, structures, luminescence, and magnetic properties","CrystEngComm","2017","19","14","1953","","10.1039/C7CE00149E","","","0.71073","MoKα","","0.0269","0.0209","","","0.0413","0.043","","","","","","1.057","","","","has coordinates","195035","2020-10-21","18:00:00",""
"7227806","7.5408","0.0003","11.7049","0.0005","15.9042","0.0006","90.095","0.002","102.741","0.002","106.596","0.002","1309.03","0.09","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H32 N4 O20 Zr -","- C16 H32 N4 O20 Zr -","- C32 H64 N8 O40 Zr2 -","2","1","","Hamdouni, Monia; Walha, Siwar; Duhayon, Carine; Kabadou, Ahlem; Sutter, Jean-Pascal","Hydrogen-bonded supramolecular architectures based on [Zr(C2O4)4]4− anion and protonated polyamine cations","CrystEngComm","2017","19","12","1633","","10.1039/C6CE02547A","","","0.71073","MoKα","","0.035","0.0331","","0.0383","0.0356","0.0351","","","","","","1.1011","","","","has coordinates","195046","2020-10-21","18:00:00",""
"7227807","7.0194","0.0004","17.8877","0.001","13.4593","0.0008","90","","90.3052","0.0016","90","","1689.94","0.17","100","","100","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C28 H32 N8 O18 Zr -","- C28 H32 N8 O18 Zr -","- C56 H64 N16 O36 Zr2 -","2","0.5","","Hamdouni, Monia; Walha, Siwar; Duhayon, Carine; Kabadou, Ahlem; Sutter, Jean-Pascal","Hydrogen-bonded supramolecular architectures based on [Zr(C2O4)4]4− anion and protonated polyamine cations","CrystEngComm","2017","19","12","1633","","10.1039/C6CE02547A","","","0.71073","MoKα","","0.02","0.0198","","0.0206","0.0202","0.0201","","","","","","1.063","","","","has coordinates","195046","2020-10-21","18:00:00",""
"7227808","15.078","0.005","20.979","0.005","8.776","0.005","90","","98.917","0.005","90","","2742.5","1.9","180","","180","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 N4 O20 Zr -","- C20 H28 N4 O20 Zr -","- C80 H112 N16 O80 Zr4 -","4","1","","Hamdouni, Monia; Walha, Siwar; Duhayon, Carine; Kabadou, Ahlem; Sutter, Jean-Pascal","Hydrogen-bonded supramolecular architectures based on [Zr(C2O4)4]4− anion and protonated polyamine cations","CrystEngComm","2017","19","12","1633","","10.1039/C6CE02547A","","","0.71073","MoKα","","0.0842","0.0397","","0.0624","0.0315","0.0295","","","","","","1.1223","","","","has coordinates","195046","2020-10-21","18:00:00",""
"7227809","10.077","0.009","10.81","0.01","11.116","0.011","78.14","0.03","89.23","0.05","86.71","0.03","1183.1","1.9","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C10 H20 N8 O18 S2 Zr -","- C10 H20 N8 O18 S2 Zr -","- C20 H40 N16 O36 S4 Zr2 -","2","1","","Hamdouni, Monia; Walha, Siwar; Duhayon, Carine; Kabadou, Ahlem; Sutter, Jean-Pascal","Hydrogen-bonded supramolecular architectures based on [Zr(C2O4)4]4− anion and protonated polyamine cations","CrystEngComm","2017","19","12","1633","","10.1039/C6CE02547A","","","0.71073","MoKα","","0.0566","0.0488","","0.0469","0.0409","0.0402","","","","","","0.8618","","","","has coordinates","195046","2020-10-21","18:00:00",""
"7227812","6.7868","0.0014","20.823","0.004","7.4953","0.0015","90","","90","","90","","1059.2","0.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C6 H14 Cd Cl3 N -","- C6 H14 Cd Cl3 N -","- C24 H56 Cd4 Cl12 N4 -","4","1","","Lu, Yang; Wang, Zhongxia; Chen, Hai-Peng; Ge, Jia-Zhen","High temperature structural phase transition and dielectric relaxation in an organic‒inorganic hybrid compound: (4-methylpiperidinium)CdCl3","CrystEngComm","2017","19","14","1896","","10.1039/C7CE00053G","","","0.71073","MoKα","","0.0536","0.0476","","","0.0909","0.0932","","","","","","1.056","","","","has coordinates","195036","2020-10-21","18:00:00",""
"7227813","6.779","0.006","7.648","0.006","20.8582","0.0017","90","","90","","90","","1081.4","1.3","393","2","393","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H28 Cd2 Cl6 N2 -","- C12 H28 Cd2 Cl6 N2 -","- C24 H56 Cd4 Cl12 N4 -","2","0.25","","Lu, Yang; Wang, Zhongxia; Chen, Hai-Peng; Ge, Jia-Zhen","High temperature structural phase transition and dielectric relaxation in an organic‒inorganic hybrid compound: (4-methylpiperidinium)CdCl3","CrystEngComm","2017","19","14","1896","","10.1039/C7CE00053G","","","0.71073","MoKα","","0.1718","0.1328","","","0.1772","0.1945","","","","","","1.319","","","","has coordinates,has disorder","195036","2020-10-21","18:00:00",""
"7227814","14.6554","0.0005","6.00711","0.00018","17.9996","0.0005","90","","90.1994","0.0014","90","","1584.61","0.08","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H24 Cl4 N6 -","- C34 H24 Cl4 N6 -","- C68 H48 Cl8 N12 -","2","0.5","","Akune, Yoko; Hirosawa, Risa; Endo, Natsuko; Hatano, Sayumi; Hosokai, Takuya; Sato, Hiroyasu; Matsumoto, Shinya","Tuning of fluorescence efficiency via local modification of the crystal structure by benzyl groups in polymorphs of a pyrazine dye","CrystEngComm","2017","19","14","1947","","10.1039/C7CE00164A","","","1.54187","CuKα","","","0.0762","","","","0.2408","","","","","","1.606","","","","has coordinates","195031","2020-10-21","18:00:00",""
"7227815","4.70709","0.00016","26.1213","0.0012","12.1528","0.0005","90","","93.267","0.003","90","","1491.82","0.11","93","","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H24 Cl4 N6 -","- C34 H24 Cl4 N6 -","- C68 H48 Cl8 N12 -","2","0.5","","Akune, Yoko; Hirosawa, Risa; Endo, Natsuko; Hatano, Sayumi; Hosokai, Takuya; Sato, Hiroyasu; Matsumoto, Shinya","Tuning of fluorescence efficiency via local modification of the crystal structure by benzyl groups in polymorphs of a pyrazine dye","CrystEngComm","2017","19","14","1947","","10.1039/C7CE00164A","","","1.54187","CuKα","","0.0667","0.0567","","","0.1651","0.1793","","","","","","1.096","","","","has coordinates","195031","2020-10-21","18:00:00",""
"7227816","9.3812","0.0002","12.9376","0.0003","18.1801","0.0004","90","","90","","90","","2206.52","0.08","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C15 H19 Cu2 N9 O9 -","- C15 H19 Cu2 N9 O9 -","- C60 H76 Cu8 N36 O36 -","4","0.5","","Bovill, Sally M.; Dixey, Richard J. C.; Saines, Paul J.","Three coordination frameworks with copper formate based low dimensional motifs: synthesis, structure and magnetic properties","CrystEngComm","2017","19","13","1831","","10.1039/C6CE01601D","","","0.71073","MoKα","","0.1005","0.0718","","","0.2031","0.2334","","","","","","1.16","","","","has coordinates","195024","2020-10-21","18:00:00",""
"7227817","7.1767","0.0003","7.3661","0.0004","12.3418","0.0007","90","","90","","90","","652.44","0.06","150","2","150","2","","","","","","","","5","P m n b","-P 2bc 2a","62","","","","- C H7 Cu N3 O5 -","- C H7 Cu N3 O5 -","- C4 H28 Cu4 N12 O20 -","4","0.5","","Bovill, Sally M.; Dixey, Richard J. C.; Saines, Paul J.","Three coordination frameworks with copper formate based low dimensional motifs: synthesis, structure and magnetic properties","CrystEngComm","2017","19","13","1831","","10.1039/C6CE01601D","","","0.71073","MoKα","","0.0734","0.0496","","","0.1366","0.1872","","","","","","1.205","","","","has coordinates","195024","2020-10-21","18:00:00",""
"7227818","7.4087","0.0006","7.8568","0.0007","12.3745","0.001","90","","90","","90","","720.3","0.1","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C H7 Cl Cu N2 O6 -","- C H7 Cl Cu N2 O6 -","- C4 H28 Cl4 Cu4 N8 O24 -","4","0.5","","Bovill, Sally M.; Dixey, Richard J. C.; Saines, Paul J.","Three coordination frameworks with copper formate based low dimensional motifs: synthesis, structure and magnetic properties","CrystEngComm","2017","19","13","1831","","10.1039/C6CE01601D","","","0.71073","MoKα","","0.0969","0.0534","","","0.1266","0.214","","","","","","1.177","","","","has coordinates","195024","2020-10-21","18:00:00",""
"7227819","12.5284","0.0006","6.3807","0.0002","20.8145","0.0008","90","","105.488","0.004","90","","1603.49","0.11","293","2","293","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 Cl2 N2 Na O5 -","- C12 H12 Cl2 N2 Na O5 -","- C48 H48 Cl8 N8 Na4 O20 -","4","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka","Spin pairing, electrostatic and dipolar interactions influence stacking of radical anions in alkali salts of 4,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,2-dicarbonitrile (DDQ)","CrystEngComm","2017","19","13","1801","","10.1039/C7CE00261K","","x-ray","1.54184","CuKα","","0.0741","0.0676","","","0.1792","0.1884","","","","","","1.091","","","","has coordinates","195028","2020-10-21","18:00:00",""
"7227820","7.8772","0.0008","7.9735","0.0008","10.4011","0.0008","94.304","0.007","106.276","0.008","109.851","0.009","579.26","0.11","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H6 Cl2 Li N2 O5 -","- C8 H6 Cl2 Li N2 O5 -","- C16 H12 Cl4 Li2 N4 O10 -","2","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka","Spin pairing, electrostatic and dipolar interactions influence stacking of radical anions in alkali salts of 4,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,2-dicarbonitrile (DDQ)","CrystEngComm","2017","19","13","1801","","10.1039/C7CE00261K","","x-ray","1.54184","CuKα","","","0.0321","","","","0.0912","","","","","","1.079","","","","has coordinates","195028","2020-10-21","18:00:00",""
"7227821","6.108","0.0003","10.6399","0.0005","12.546","0.0007","109.248","0.004","92.148","0.004","90.445","0.004","769.05","0.07","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C12 H10 Cl2 Cs N2 O4 -","- C12 H10 Cl2 Cs N2 O4 -","- C24 H20 Cl4 Cs2 N4 O8 -","2","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka","Spin pairing, electrostatic and dipolar interactions influence stacking of radical anions in alkali salts of 4,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,2-dicarbonitrile (DDQ)","CrystEngComm","2017","19","13","1801","","10.1039/C7CE00261K","","x-ray","1.54179","CuKα","","0.047","0.0432","","","0.1111","0.1153","","","","","","1.071","","","","has coordinates","195028","2020-10-21","18:00:00",""
"7227822","13.2615","0.0003","18.7662","0.0003","16.7948","0.0002","90","","90","","90","","4179.69","0.13","293","2","293","2","","","","","","","synthesis as described","5","P b c 21","P 2c -2b","29","","","","- C32 Cl8 Cs4 N8 O9 -","- C32 Cl8 Cs4 N8 O9 -","- C128 Cl32 Cs16 N32 O36 -","4","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka","Spin pairing, electrostatic and dipolar interactions influence stacking of radical anions in alkali salts of 4,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,2-dicarbonitrile (DDQ)","CrystEngComm","2017","19","13","1801","","10.1039/C7CE00261K","","x-ray","1.54179","CuKα","","0.0517","0.0506","","","0.1296","0.1314","","","","","","1.018","","","","has coordinates","195028","2020-10-21","18:00:00",""
"7227823","16.044","0.005","16.044","0.005","3.555","0.005","90","0.005","90","0.005","120","0.005","792.5","1.2","293","2","293","2","","","","","","","synthesis as described","6","P 3 1 m","P 3 -2","157","","","","- C8 H2 Cl2 K N2 O3 -","- C8 H2 Cl2 K N2 O3 -","- C24 H6 Cl6 K3 N6 O9 -","3","0.5","","Molčanov, Krešimir; Kojić-Prodić, Biserka","Spin pairing, electrostatic and dipolar interactions influence stacking of radical anions in alkali salts of 4,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,2-dicarbonitrile (DDQ)","CrystEngComm","2017","19","13","1801","","10.1039/C7CE00261K","","x-ray","1.54179","CuKα","","0.0624","0.0608","","","0.165","0.1671","","","","","","1.126","","","","has coordinates","195028","2020-10-21","18:00:00",""
"7227824","7.975","0.0012","8.0294","0.0013","10.4361","0.0014","94.183","0.012","106.05","0.013","110.302","0.014","591.66","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H6 Cl2 Li N2 O5 -","- C8 H6 Cl2 Li N2 O5 -","- C16 H12 Cl4 Li2 N4 O10 -","2","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka","Spin pairing, electrostatic and dipolar interactions influence stacking of radical anions in alkali salts of 4,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,2-dicarbonitrile (DDQ)","CrystEngComm","2017","19","13","1801","","10.1039/C7CE00261K","","x-ray","1.54184","CuKα","","","0.0581","","","","0.1705","","","","","","1.068","","","","has coordinates","195028","2020-10-21","18:00:00",""
"7227825","20.039","0.003","17.152","0.003","14.09","0.003","90","","99.843","0.008","90","","4771.6","1.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H58 Mo7 N8 O39 -","- C20 H28 Mo7 N8 O39 -","- C80 H112 Mo28 N32 O156 -","4","0.5","","Jassal, Amanpreet Kaur; Rana, Love Karan; Hundal, Geeta","Structure directing role of amines and water molecules in the self-assembly of polyoxomolybdates","CrystEngComm","2017","19","15","2021","","10.1039/C6CE02640K","","","0.71073","MoKα","","0.1319","0.0884","","","0.2303","0.2691","","","","","","1.112","","","","has coordinates,has disorder","196388","2020-10-21","18:00:00",""
"7227826","11.3855","0.0009","11.3943","0.0009","16.1815","0.0012","77.32","0.003","73.592","0.003","64.011","0.003","1798.9","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H42 Mo7 N3 O33.5 -","- C8 H18 Mo7 N3 O33.5 -","- C16 H36 Mo14 N6 O67 -","2","1","","Jassal, Amanpreet Kaur; Rana, Love Karan; Hundal, Geeta","Structure directing role of amines and water molecules in the self-assembly of polyoxomolybdates","CrystEngComm","2017","19","15","2021","","10.1039/C6CE02640K","","","0.71073","MoKα","","0.0873","0.0793","","","0.2066","0.2117","","","","","","1.176","","","","has coordinates","276339","2022-06-28","15:56:57",""
"7227827","29.144","0.0011","29.144","0.0012","12.032","0.0004","90","","90","","120","","8850.5","0.6","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C16 H46 Mo8 N2 O28 -","- C16 H46 Mo8 N2 O28 -","- C144 H414 Mo72 N18 O252 -","9","0.5","","Jassal, Amanpreet Kaur; Rana, Love Karan; Hundal, Geeta","Structure directing role of amines and water molecules in the self-assembly of polyoxomolybdates","CrystEngComm","2017","19","15","2021","","10.1039/C6CE02640K","","","0.71073","MoKα","","0.0324","0.0246","","","0.0544","0.0578","","","","","","1.035","","","","has coordinates","276339","2022-06-28","15:56:57",""
"7227828","8.8713","0.0012","10.8897","0.0015","21.328","0.003","98.581","0.005","95.318","0.005","99.992","0.005","1991.5","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H54 Mo7 N8 O30 -","- C12 H54 Mo7 N8 O30 -","- C24 H108 Mo14 N16 O60 -","2","1","","Jassal, Amanpreet Kaur; Rana, Love Karan; Hundal, Geeta","Structure directing role of amines and water molecules in the self-assembly of polyoxomolybdates","CrystEngComm","2017","19","15","2021","","10.1039/C6CE02640K","","","0.71073","MoKα","","0.0204","0.0192","","","0.0475","0.0482","","","","","","0.989","","","","has coordinates","276339","2022-06-28","15:56:58",""
"7227829","27.592","0.0009","20.794","0.0006","16.12","0.0005","90","","90","","90","","9248.8","0.5","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C18 H53 Mo7 N6 O35.5 -","- C18 H26 Mo7 N6 O35.5 -","- C144 H208 Mo56 N48 O284 -","8","2","","Jassal, Amanpreet Kaur; Rana, Love Karan; Hundal, Geeta","Structure directing role of amines and water molecules in the self-assembly of polyoxomolybdates","CrystEngComm","2017","19","15","2021","","10.1039/C6CE02640K","","","0.71073","MoKα","","0.051","0.0434","","","0.1053","0.11","","","","","","1.055","","","","has coordinates","276339","2022-06-28","15:56:58",""
"7227830","28.887","0.002","12.1278","0.0009","21.5485","0.0016","90","","108.698","0.003","90","","7150.8","0.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H44 Mo7 N O37.5 -","- C4 H39 Mo7 N O37.5 -","- C32 H312 Mo56 N8 O300 -","8","1","","Jassal, Amanpreet Kaur; Rana, Love Karan; Hundal, Geeta","Structure directing role of amines and water molecules in the self-assembly of polyoxomolybdates","CrystEngComm","2017","19","15","2021","","10.1039/C6CE02640K","","","0.71073","MoKα","","0.041","0.0325","","","0.0856","0.0936","","","","","","0.959","","","","has coordinates","276339","2022-06-28","15:56:58",""
"7227838","6.036","0.0007","10.7787","0.0008","10.9735","0.001","90","","94.546","0.01","90","","711.69","0.12","213","2","213","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,4-Dinitro-1,3-pentadiene","","- C5 H6 N2 O4 -","- C5 H6 N2 O4 -","- C20 H24 N8 O16 -","4","1","","Bauzá, Antonio; Sharko, Anastasiya V.; Senchyk, Ganna A.; Rusanov, Eduard B.; Frontera, Antonio; Domasevitch, Kostiantyn V.","π–hole interactions at work: crystal engineering with nitro-derivatives","CrystEngComm","2017","19","14","1933","","10.1039/C7CE00267J","","","0.71073","MoKα","","0.047","0.0357","","","0.0953","0.0983","","","","","","0.955","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7227839","8.3219","0.0007","5.2142","0.0004","12.3799","0.0013","90","","90.819","0.012","90","","537.13","0.08","213","2","213","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,4-Dinitro-1,3-butadiene 1,4-Dioxane (1/1) solvate","","- C8 H12 N2 O6 -","- C8 H12 N2 O6 -","- C16 H24 N4 O12 -","2","0.5","","Bauzá, Antonio; Sharko, Anastasiya V.; Senchyk, Ganna A.; Rusanov, Eduard B.; Frontera, Antonio; Domasevitch, Kostiantyn V.","π–hole interactions at work: crystal engineering with nitro-derivatives","CrystEngComm","2017","19","14","1933","","10.1039/C7CE00267J","","","0.71073","MoKα","","0.0383","0.0301","","","0.0827","0.086","","","","","","1.038","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7227840","5.4312","0.0008","6.1004","0.001","12.3902","0.0013","90","","101.006","0.005","90","","402.97","0.1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,4-Dinitro-2,4-hexadiene","","- C6 H8 N2 O4 -","- C6 H8 N2 O4 -","- C12 H16 N4 O8 -","2","0.5","","Bauzá, Antonio; Sharko, Anastasiya V.; Senchyk, Ganna A.; Rusanov, Eduard B.; Frontera, Antonio; Domasevitch, Kostiantyn V.","π–hole interactions at work: crystal engineering with nitro-derivatives","CrystEngComm","2017","19","14","1933","","10.1039/C7CE00267J","","","0.71073","MoKα","","0.0783","0.0422","","","0.0991","0.1174","","","","","","1.042","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7227841","3.8306","0.0003","10.3433","0.0006","7.9532","0.0006","90","","102.516","0.006","90","","307.63","0.04","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,4-Dinitro-1,3-butadiene","","- C4 H4 N2 O4 -","- C4 H4 N2 O4 -","- C8 H8 N4 O8 -","2","0.5","","Bauzá, Antonio; Sharko, Anastasiya V.; Senchyk, Ganna A.; Rusanov, Eduard B.; Frontera, Antonio; Domasevitch, Kostiantyn V.","π–hole interactions at work: crystal engineering with nitro-derivatives","CrystEngComm","2017","19","14","1933","","10.1039/C7CE00267J","","","0.71073","MoKα","","0.0585","0.0356","","","0.0881","0.1023","","","","","","1.063","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7227846","16.0604","0.0004","16.0604","0.0004","44.117","0.0011","90","","90","","90","","11379.4","0.5","293","2","293","2","","","","","","","","5","P 42 21 2","P 4n 2n","94","NTU-141","T41b","","- C61 H40 Cu2 N12 O10 -","- C61 H40 Cu2 N12 O10 -","- C244 H160 Cu8 N48 O40 -","4","0.5","","Li, Pei-Zhou; Wang, Xiao-Jun; Liu, Jia; Liang, Jie; Chen, Jie Yi Jalyn; Zhao, Yanli","Two Metal-Organic Frameworks Sharing Same Basic Framework Show Distinct Interpenetration Degrees and Different Performance on CO2 Catalytic Conversion","CrystEngComm","2017","","","","","10.1039/C7CE00100B","","","1.54184","CuKα","","0.1029","0.0627","","","0.1698","0.1917","","","","","","0.87","","","","has coordinates","194243","2020-10-21","18:00:00",""
"7227847","22.805","0.0005","22.805","0.0005","44.0727","0.0012","90","","90","","90","","22920.8","0.9","293","2","293","2","","","","","","","","5","P 42 21 2","P 4n 2n","94","NTU-140","T41a","","- C61 H40 Cu2 N12 O10 -","- C61 H40 Cu2 N12 O10 -","- C244 H160 Cu8 N48 O40 -","4","0.5","","Li, Pei-Zhou; Wang, Xiao-Jun; Liu, Jia; Liang, Jie; Chen, Jie Yi Jalyn; Zhao, Yanli","Two Metal-Organic Frameworks Sharing Same Basic Framework Show Distinct Interpenetration Degrees and Different Performance on CO2 Catalytic Conversion","CrystEngComm","2017","","","","","10.1039/C7CE00100B","","","1.54184","CuKα","","0.1627","0.0697","","","0.1125","0.137","","","","","","0.804","","","","has coordinates","194243","2020-10-21","18:00:00",""
"7227851","22.089","0.013","6.142","0.004","13.906","0.009","90","","125.968","0.009","90","","1526.9","1.7","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C28 H26 Co2 N6 O11 -","- C28 H26 Co2 N6 O11 -","- C56 H52 Co4 N12 O22 -","2","0.5","","Yu, Fan; Xiong, Xin; Huang, Kexing; Zhou, Yinliu; Li, Bao","2D Co-based coordination polymer with a histidine derivative as an efficient heterogeneous catalyst for the oxidation of cyclohexene","CrystEngComm","2017","19","15","2126","","10.1039/C7CE00349H","","","0.71073","MoKα","","0.0715","0.0606","","","0.1639","0.1796","","","","","","1.198","","","","has coordinates","196387","2020-10-21","18:00:00",""
"7227852","22.4588","0.0011","6.1786","0.0004","14.1282","0.0007","90","","127.551","0.004","90","","1554.29","0.17","293","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C28 H24 Mn2 N6 O11 -","- C28 H24 Mn2 N6 O11 -","- C56 H48 Mn4 N12 O22 -","2","0.5","","Yu, Fan; Xiong, Xin; Huang, Kexing; Zhou, Yinliu; Li, Bao","2D Co-based coordination polymer with a histidine derivative as an efficient heterogeneous catalyst for the oxidation of cyclohexene","CrystEngComm","2017","19","15","2126","","10.1039/C7CE00349H","","","0.71073","MoKα","","0.064","0.0624","","","0.1769","0.1806","","","","","","1.093","","","","has coordinates","196387","2020-10-21","18:00:00",""
"7227853","17.3616","0.0004","22.7205","0.0008","10.3693","0.0003","90","","106.01","0.0012","90","","3931.7","0.2","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C39 H36 Cu N0 O5 -","- C39 H36 Cu O5 -","- C156 H144 Cu4 O20 -","4","1","","Robin, Julien; Audebrand, Nathalie; Poriel, Cyril; Canivet, Jerôme; Calvez, Guillaume; Roisnel, Thierry; Dorcet, Vincent; Roussel, Pascal","A series of chiral metal‒organic frameworks based on fluorene di- and tetra-carboxylates: syntheses, crystal structures and luminescence properties","CrystEngComm","2017","19","15","2042","","10.1039/C7CE00108H","","","0.71073","MoKα","","0.1028","0.0775","","","0.2255","0.2455","","","","","","1.029","","","","has coordinates","196389","2020-10-21","18:00:00",""
"7227854","13.2142","0.0005","13.8021","0.0005","15.108","0.0005","98.5544","0.0013","94.0136","0.0013","108.002","0.0012","2571.64","0.16","150","2","150","2","","","","","","","","4","P 1","P 1","1","","","","- C106 H112 Cu4 O20 -","- C106 H105 Cu4 O20 -","- C106 H105 Cu4 O20 -","1","1","","Robin, Julien; Audebrand, Nathalie; Poriel, Cyril; Canivet, Jerôme; Calvez, Guillaume; Roisnel, Thierry; Dorcet, Vincent; Roussel, Pascal","A series of chiral metal‒organic frameworks based on fluorene di- and tetra-carboxylates: syntheses, crystal structures and luminescence properties","CrystEngComm","2017","19","15","2042","","10.1039/C7CE00108H","","","0.71073","MoKα","","0.0996","0.0732","","","0.2015","0.2233","","","","","","1.059","","","","has coordinates","196389","2020-10-21","18:00:00",""
"7227855","31.812","0.0009","31.812","0.0009","79.5235","0.0019","90","","90","","120","","69696","3","100","2","100","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- C151 H132 Cs0 Cu4 N2 O20 -","- C151 H115 Cu4 N2 O20 -","- C2718 H2070 Cu72 N36 O360 -","18","1","","Robin, Julien; Audebrand, Nathalie; Poriel, Cyril; Canivet, Jerôme; Calvez, Guillaume; Roisnel, Thierry; Dorcet, Vincent; Roussel, Pascal","A series of chiral metal‒organic frameworks based on fluorene di- and tetra-carboxylates: syntheses, crystal structures and luminescence properties","CrystEngComm","2017","19","15","2042","","10.1039/C7CE00108H","","","1.5418","CuKα","","0.1495","0.1134","","","0.3136","0.3466","","","","","","1.224","","","","has coordinates","196389","2020-10-21","18:00:00",""
"7227856","18.4059","0.0007","18.7645","0.0009","34.5211","0.0014","90","","90","","90","","11922.8","0.9","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C81 H68 Cu4 N O20 -","- C81 H65 Cu4 N O20 -","- C324 H260 Cu16 N4 O80 -","4","1","","Robin, Julien; Audebrand, Nathalie; Poriel, Cyril; Canivet, Jerôme; Calvez, Guillaume; Roisnel, Thierry; Dorcet, Vincent; Roussel, Pascal","A series of chiral metal‒organic frameworks based on fluorene di- and tetra-carboxylates: syntheses, crystal structures and luminescence properties","CrystEngComm","2017","19","15","2042","","10.1039/C7CE00108H","","","0.71073","MoKα","","0.1036","0.0767","","","0.2268","0.2458","","","","","","1.045","","","","has coordinates","196389","2020-10-21","18:00:00",""
"7227857","7.622","0.001","19.178","0.002","10.846","0.0013","90","","96.04","0.002","90","","1576.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly{[octaaquabis(mu-6-aminopyridine-3-carboxylato-kN:kO)dimanganese(II)]di(mu-6-aminopyridine-3-carboxylato)}","","- C24 H36 Mn2 N8 O16 -","- C24 H36 Mn2 N8 O16 -","- C48 H72 Mn4 N16 O32 -","2","0.5","","Rodríguez-Diéguez, Antonio; Pérez-Yáñez, Sonia; Ruiz-Rubio, Leire; Seco, Jose M.; Cepeda, Javier","From isolated to 2D coordination polymers based on 6-aminonicotinate and 3d-metal ions: towards field-induced single-ion-magnets","CrystEngComm","2017","19","16","2229","","10.1039/C7CE00234C","","","0.71073","MoKα","","0.0546","0.041","","","0.1015","0.1111","","","","","","1.035","","","","has coordinates","196385","2020-10-21","18:00:00",""
"7227858","26.181","0.006","7.86","0.0018","15.687","0.003","90","","117.124","0.007","90","","2873.1","1.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly{[bis(mu-6-aminopyridine-3-carboxylato-kN:kO)cobalt(II)]hydrate}","","- C12 H12 Co N4 O5 -","- C12 H12 Co N4 O5 -","- C96 H96 Co8 N32 O40 -","8","1","","Rodríguez-Diéguez, Antonio; Pérez-Yáñez, Sonia; Ruiz-Rubio, Leire; Seco, Jose M.; Cepeda, Javier","From isolated to 2D coordination polymers based on 6-aminonicotinate and 3d-metal ions: towards field-induced single-ion-magnets","CrystEngComm","2017","19","16","2229","","10.1039/C7CE00234C","","","0.71073","MoKα","","0.143","0.0956","","","0.1918","0.21","","","","","","1.14","","","","has coordinates","196385","2020-10-21","18:00:00",""
"7227859","9.81","0.0008","14.1534","0.0011","14.2636","0.0011","73.12","0.03","74.15","0.03","86.86","0.03","1822.4","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","[triaqua(6-aminopyridine-3-carboxylato-kO)bis(4,4'-bipyridine)cobalt(II)](6-aminopyridine-3-carboxylato)pentahydrate","","- C32 H42 Co N8 O12 -","- C32 H42 Co N8 O12 -","- C64 H84 Co2 N16 O24 -","2","1","","Rodríguez-Diéguez, Antonio; Pérez-Yáñez, Sonia; Ruiz-Rubio, Leire; Seco, Jose M.; Cepeda, Javier","From isolated to 2D coordination polymers based on 6-aminonicotinate and 3d-metal ions: towards field-induced single-ion-magnets","CrystEngComm","2017","19","16","2229","","10.1039/C7CE00234C","","","0.71073","MoKα","","0.1672","0.0803","","","0.1876","0.218","","","","","","1.045","","","","has coordinates,has disorder","196385","2020-10-21","18:00:00",""
"7227860","11.895","0.0005","7.3902","0.0002","18.7683","0.0005","90","","90","","90","","1649.85","0.09","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Poly{[triaqua(mu-6-aminopyridine-3-carboxylato-kN:kO)(6-aminopyridine-3-carboxylato-kO')cobalt(II)]dihydrate}","","- C12 H20 Co N4 O9 -","- C12 H20 Co N4 O9 -","- C48 H80 Co4 N16 O36 -","4","1","","Rodríguez-Diéguez, Antonio; Pérez-Yáñez, Sonia; Ruiz-Rubio, Leire; Seco, Jose M.; Cepeda, Javier","From isolated to 2D coordination polymers based on 6-aminonicotinate and 3d-metal ions: towards field-induced single-ion-magnets","CrystEngComm","2017","19","16","2229","","10.1039/C7CE00234C","","","0.71073","MoKα","","0.0393","0.0334","","","0.069","0.0726","","","","","","1.035","","","","has coordinates","196385","2020-10-21","18:00:00",""
"7227864","7.131","0.004","9.138","0.005","14.261","0.008","77.831","0.017","76.835","0.019","79.429","0.019","875.5","0.8","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H13 O13 S2 Yb3 -","- C10 H13 O13 S2 Yb3 -","- C20 H26 O26 S4 Yb6 -","2","1","","Li, Haoran; Sheng, Tianlu; Xue, Zhenzhen; Zhu, Xiaoquan; Hu, Shengmin; Wen, Yuehong; Fu, Ruibiao; Zhuo, Chao; Wu, Xintao","Synthesis, structure, characterization, and multifunctional properties of a family of rare earth organic frameworks","CrystEngComm","2017","19","15","2106","","10.1039/C7CE00202E","","","0.71073","MoKα","","0.0678","0.0569","","","0.1488","0.155","","","","","","1.066","","","","has coordinates","196386","2020-10-21","18:00:00",""
"7227865","7.373","0.006","9.398","0.008","14.426","0.011","77.28","0.03","76.81","0.03","78.97","0.03","938.8","1.3","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H13 Gd3 O13 S2 -","- C10 H13 Gd3 O13 S2 -","- C20 H26 Gd6 O26 S4 -","2","1","","Li, Haoran; Sheng, Tianlu; Xue, Zhenzhen; Zhu, Xiaoquan; Hu, Shengmin; Wen, Yuehong; Fu, Ruibiao; Zhuo, Chao; Wu, Xintao","Synthesis, structure, characterization, and multifunctional properties of a family of rare earth organic frameworks","CrystEngComm","2017","19","15","2106","","10.1039/C7CE00202E","","","0.71073","MoKα","","0.1071","0.1041","","","0.2715","0.2745","","","","","","1.054","","","","has coordinates","196386","2020-10-21","18:00:00",""
"7227866","7.2126","0.0007","9.2072","0.001","14.3212","0.0002","77.79","0.03","76.84","0.03","79.26","0.03","895.5","0.2","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H13 Er3 O13 S2 -","- C10 H13 Er3 O12.99 S2 -","- C20 H26 Er6 O25.98 S4 -","2","1","","Li, Haoran; Sheng, Tianlu; Xue, Zhenzhen; Zhu, Xiaoquan; Hu, Shengmin; Wen, Yuehong; Fu, Ruibiao; Zhuo, Chao; Wu, Xintao","Synthesis, structure, characterization, and multifunctional properties of a family of rare earth organic frameworks","CrystEngComm","2017","19","15","2106","","10.1039/C7CE00202E","","","0.71073","MoKα","","0.1277","0.1097","","","0.2693","0.289","","","","","","1.02","","","","has coordinates,has disorder","196386","2020-10-21","18:00:00",""
"7227867","7.235","0.004","9.252","0.004","14.315","0.007","77.672","0.018","76.786","0.015","79.175","0.019","901.6","0.8","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H13 O13 S2 Y3 -","- C10 H13 O13 S2 Y3 -","- C20 H26 O26 S4 Y6 -","2","1","","Li, Haoran; Sheng, Tianlu; Xue, Zhenzhen; Zhu, Xiaoquan; Hu, Shengmin; Wen, Yuehong; Fu, Ruibiao; Zhuo, Chao; Wu, Xintao","Synthesis, structure, characterization, and multifunctional properties of a family of rare earth organic frameworks","CrystEngComm","2017","19","15","2106","","10.1039/C7CE00202E","","","0.71073","MoKα","","0.1002","0.0948","","","0.2354","0.2399","","","","","","1.047","","","","has coordinates","196386","2020-10-21","18:00:00",""
"7227876","9.6422","0.0003","9.6691","0.0004","10.1342","0.0004","66.683","0.002","71.511","0.001","67.162","0.001","784.58","0.05","150","2","150","2","","","","","","","","5","P -1","-P 1","2","(3-bromo-4-(dimethylamino)phenyl)(4-(dimethylamino)phenyl)methanone","(3-bromo-4-(dimethylamino)phenyl)(4-(dimethylamino)phenyl)methanone","","- C17 H19 Br N2 O -","- C17 H19 Br N2 O -","- C34 H38 Br2 N4 O2 -","2","1","","Vaz, Patrícia A. A. M.; Rocha, João; Silva, Artur M. S.; Guieu, Samuel","Halogen-bonded dimers and ribbons from the self-assembly of 3-halobenzophenones","CrystEngComm","2017","19","16","2202","","10.1039/C7CE00260B","","","0.71073","MoKα","","0.0542","0.0386","","","0.0941","0.1007","","","","","","1.028","","","","has coordinates","196380","2020-10-21","18:00:00",""
"7227877","18.632","0.006","8.288","0.002","14.009","0.005","90","","127.796","0.008","90","","1709.4","0.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","bis(3-bromo-4-(dimethylamino)phenyl)methanone","bis(3-bromo-4-(dimethylamino)phenyl)methanone","","- C17 H18 Br2 N2 O -","- C17 H18 Br2 N2 O -","- C68 H72 Br8 N8 O4 -","4","0.5","","Vaz, Patrícia A. A. M.; Rocha, João; Silva, Artur M. S.; Guieu, Samuel","Halogen-bonded dimers and ribbons from the self-assembly of 3-halobenzophenones","CrystEngComm","2017","19","16","2202","","10.1039/C7CE00260B","","","0.71073","MoKα","","0.0382","0.0294","","","0.074","0.079","","","","","","1.041","","","","has coordinates","196380","2020-10-21","18:00:00",""
"7227878","7.2012","0.0007","10.0238","0.001","10.6964","0.001","84.21","0.003","81.717","0.003","70.242","0.003","717.94","0.12","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","3,3?-Dibromo-4,4?-dimethoxybenzophenone","","- C15 H12 Br2 O3 -","- C15 H12 Br2 O3 -","- C30 H24 Br4 O6 -","2","1","","Vaz, Patrícia A. A. M.; Rocha, João; Silva, Artur M. S.; Guieu, Samuel","Halogen-bonded dimers and ribbons from the self-assembly of 3-halobenzophenones","CrystEngComm","2017","19","16","2202","","10.1039/C7CE00260B","","","0.71073","MoKα","","0.0268","0.0221","","","0.0585","0.0608","","","","","","0.993","","","","has coordinates","196380","2020-10-21","18:00:00",""
"7227879","11.8321","0.001","9.9164","0.0008","13.5148","0.001","90","","94.805","0.003","90","","1580.1","0.2","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(3-bromo-4-(dimethylamino)phenyl)(3-bromo-4-(methylamino)phenyl)methanone","","- C16 H16 Br2 N2 O -","- C16 H16 Br2 N2 O -","- C64 H64 Br8 N8 O4 -","4","1","","Vaz, Patrícia A. A. M.; Rocha, João; Silva, Artur M. S.; Guieu, Samuel","Halogen-bonded dimers and ribbons from the self-assembly of 3-halobenzophenones","CrystEngComm","2017","19","16","2202","","10.1039/C7CE00260B","","","0.71073","MoKα","","0.0799","0.066","","","0.1791","0.2001","","","","","","1.083","","","","has coordinates","196380","2020-10-21","18:00:00",""
"7227880","12.2967","0.0005","9.6212","0.0005","14.0625","0.0006","90","","96.74","0.002","90","","1652.22","0.13","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(4-(dimethylamino)-3-iodophenyl)(3-iodo-4-(methylamino)phenyl)methanone","","- C16 H16 I2 N2 O -","- C16 H16 I2 N2 O -","- C64 H64 I8 N8 O4 -","4","1","","Vaz, Patrícia A. A. M.; Rocha, João; Silva, Artur M. S.; Guieu, Samuel","Halogen-bonded dimers and ribbons from the self-assembly of 3-halobenzophenones","CrystEngComm","2017","19","16","2202","","10.1039/C7CE00260B","","","0.71073","MoKα","","0.0344","0.0241","","","0.0471","0.0504","","","","","","1.117","","","","has coordinates","196380","2020-10-21","18:00:00",""
"7227881","9.5382","0.0005","9.6556","0.0005","10.2314","0.0005","72.585","0.002","68.506","0.002","67.819","0.002","797.58","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","(3-iodo-4-(dimethylamino)phenyl)(4-(dimethylamino)phenyl)methanone","(3-iodo-4-(dimethylamino)phenyl)(4-(dimethylamino)phenyl)methanone","","- C17 H19 I N2 O -","- C17 H19 I N2 O -","- C34 H38 I2 N4 O2 -","2","1","","Vaz, Patrícia A. A. M.; Rocha, João; Silva, Artur M. S.; Guieu, Samuel","Halogen-bonded dimers and ribbons from the self-assembly of 3-halobenzophenones","CrystEngComm","2017","19","16","2202","","10.1039/C7CE00260B","","","0.71073","MoKα","","0.0507","0.0323","","","0.0638","0.0689","","","","","","1.069","","","","has coordinates","196380","2020-10-21","18:00:00",""
"7227893","9.48269","0.00014","12.34678","0.00029","3.68977","0.000052","90","","90","","90.4227","0.0069","431.989","0.013","298","","298","","","","","","","","","5","P 1 1 2/m","-P 2","10","Dibromo(4-cyanopyridine)Nickel","Dibromo(4-cyanopyridine)Nickel","","- C6 H4 Br2 N2 Ni -","- C6 H4 Br2 N2 Ni -","- C12 H8 Br4 N4 Ni2 -","2","0.5","","Zhao, Haishuang; Bodach, Alexander; Heine, Miriam; Krysiak, Yasar; Glinnemann, Jürgen; Alig, Edith; Fink, Lothar; Schmidt, Martin U.","4-Cyanopyridine, a versatile mono- and bidentate ligand. Crystal structures of related coordination polymers determined by X-ray powder diffraction","CrystEngComm","2017","19","16","2216","","10.1039/C7CE00425G","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","1.628","","","","","","","has coordinates","204140","2020-10-21","18:00:00",""
"7227894","26.69813","0.00038","7.29357","0.00011","3.735946","0.000042","90","","90","","90","","727.481","0.017","298","","298","","","","","","","","","5","P n n m","-P 2 2n","58","Dibromo-bis(4-cyanopyridine)Nickel","Dibromo-bis(4-cyanopyridine)Nickel","","- C12 H8 Br2 N4 Ni -","- C12 H8 Br2 N4 Ni -","- C24 H16 Br4 N8 Ni2 -","2","0.25","","Zhao, Haishuang; Bodach, Alexander; Heine, Miriam; Krysiak, Yasar; Glinnemann, Jürgen; Alig, Edith; Fink, Lothar; Schmidt, Martin U.","4-Cyanopyridine, a versatile mono- and bidentate ligand. Crystal structures of related coordination polymers determined by X-ray powder diffraction","CrystEngComm","2017","19","16","2216","","10.1039/C7CE00425G","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.01613","1.481","","","","","","","has coordinates","204140","2020-10-21","18:00:00",""
"7227895","9.50494","0.00026","7.58104","0.00041","3.513186","0.000064","90","","90","","128.019","0.0032","199.433","0.015","298","","298","","","","","","","","","5","P 1 1 m","P -2","6","Dichloro-bis(4-cyanopyridine)Nickel","Dichloro(4-cyanopyridine)Nickel","","- C6 H4 Cl2 N2 Ni -","- C6 H4 Cl2 N2 Ni -","- C6 H4 Cl2 N2 Ni -","1","0.5","","Zhao, Haishuang; Bodach, Alexander; Heine, Miriam; Krysiak, Yasar; Glinnemann, Jürgen; Alig, Edith; Fink, Lothar; Schmidt, Martin U.","4-Cyanopyridine, a versatile mono- and bidentate ligand. Crystal structures of related coordination polymers determined by X-ray powder diffraction","CrystEngComm","2017","19","16","2216","","10.1039/C7CE00425G","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.01769","1.485","","","","","","","has coordinates","204140","2020-10-21","18:00:00",""
"7227896","26.8461","0.0015","7.31908","0.00032","3.7708","0.00011","90","","90","","90","","740.92","0.06","298","","298","","","","","","","","","5","P n n m","-P 2 2n","58","Dibromo-bis(4-cyanopyridine)Cobalt","Dibromo-bis(4-cyanopyridine)Cobalt","","- C12 H8 Br2 Co N4 -","- C12 H8 Br2 Co N4 -","- C24 H16 Br4 Co2 N8 -","2","0.25","","Zhao, Haishuang; Bodach, Alexander; Heine, Miriam; Krysiak, Yasar; Glinnemann, Jürgen; Alig, Edith; Fink, Lothar; Schmidt, Martin U.","4-Cyanopyridine, a versatile mono- and bidentate ligand. Crystal structures of related coordination polymers determined by X-ray powder diffraction","CrystEngComm","2017","19","16","2216","","10.1039/C7CE00425G","powder diffraction","","0.7093","MoKα~1~","","","","","","","","","0.00863","1.06","","","","","","","has coordinates","204140","2020-10-21","18:00:00",""
"7227897","7.96092","0.00038","27.33624","0.00013","3.79473","0.00018","90","","97.4815","0.0016","90","","818.79","0.06","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Dichloro-bis(4-cyanopyridine)copper","Dichloro(4-cyanopyridine)copper","","- C6 H4 Cl2 Cu N2 -","- C6 H4 Cl2 Cu N2 -","- C24 H16 Cl8 Cu4 N8 -","4","1","","Zhao, Haishuang; Bodach, Alexander; Heine, Miriam; Krysiak, Yasar; Glinnemann, Jürgen; Alig, Edith; Fink, Lothar; Schmidt, Martin U.","4-Cyanopyridine, a versatile mono- and bidentate ligand. Crystal structures of related coordination polymers determined by X-ray powder diffraction","CrystEngComm","2017","19","16","2216","","10.1039/C7CE00425G","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.03203","2.091","","","","","","","has coordinates","204140","2020-10-21","18:00:00",""
"7227898","26.4504","0.0007","7.16668","0.00019","3.58904","0.00007","90","","92.474","0.004","90","","679.71","0.03","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Dichloro-bis(4-cyanopyridine)Nickel","Dichloro-bis(4-cyanopyridine)Nickel","","- C12 H8 Cl2 N4 Ni -","- C12 H8 Cl2 N4 Ni -","- C24 H16 Cl4 N8 Ni2 -","2","0.5","","Zhao, Haishuang; Bodach, Alexander; Heine, Miriam; Krysiak, Yasar; Glinnemann, Jürgen; Alig, Edith; Fink, Lothar; Schmidt, Martin U.","4-Cyanopyridine, a versatile mono- and bidentate ligand. Crystal structures of related coordination polymers determined by X-ray powder diffraction","CrystEngComm","2017","19","16","2216","","10.1039/C7CE00425G","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.0085","1.366","","","","","","","has coordinates","204140","2020-10-21","18:00:00",""
"7227899","13.83118","0.00025","7.93848","0.00014","3.79073","0.000043","96.1714","0.0015","94.9144","0.0014","96.8254","0.0011","408.824","0.011","298","","298","","","","","","","","","5","P -1","-P 1","2","Dichloro-bis(4-cyanopyridine)copper","Dichloro(4-cyanopyridine)copper","","- C6 H4 Cl2 Cu N2 -","- C6 H4 Cl2 Cu N2 -","- C12 H8 Cl4 Cu2 N4 -","2","1","","Zhao, Haishuang; Bodach, Alexander; Heine, Miriam; Krysiak, Yasar; Glinnemann, Jürgen; Alig, Edith; Fink, Lothar; Schmidt, Martin U.","4-Cyanopyridine, a versatile mono- and bidentate ligand. Crystal structures of related coordination polymers determined by X-ray powder diffraction","CrystEngComm","2017","19","16","2216","","10.1039/C7CE00425G","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.01767","1.742","","","","","","","has coordinates","204140","2020-10-21","18:00:00",""
"7227900","8.322","0.005","10.111","0.005","14.048","0.005","99.667","0.005","102.545","0.005","113.317","0.005","1016.2","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 Cd N2 O8 -","- C21 H16 Cd N2 O8 -","- C42 H32 Cd2 N4 O16 -","2","1","","Gupta, Anoop K.; Tomar, Kapil; Bharadwaj, Parimal K.","Cd(ii) coordination polymers constructed with a flexible carboxylate linker and pyridyl co-linkers: variation in the network topologies and photoluminescence properties","CrystEngComm","2017","19","16","2253","","10.1039/C7CE00156H","","","0.71069","MoKα","","0.0838","0.0642","","","0.1858","0.2","","","","","","1.07","","","","has coordinates","196381","2020-10-21","18:00:00",""
"7227901","8.363","0.009","10.188","0.011","14.322","0.015","98.845","0.015","100.165","0.014","112.564","0.012","1076","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H34 Cd2 N2 O17 -","- C44 H34 Cd2 N2 O17 -","- C44 H34 Cd2 N2 O17 -","1","0.5","","Gupta, Anoop K.; Tomar, Kapil; Bharadwaj, Parimal K.","Cd(ii) coordination polymers constructed with a flexible carboxylate linker and pyridyl co-linkers: variation in the network topologies and photoluminescence properties","CrystEngComm","2017","19","16","2253","","10.1039/C7CE00156H","","","0.71073","MoKα","","0.064","0.0467","","","0.1106","0.1441","","","","","","1.148","","","","has coordinates","196381","2020-10-21","18:00:00",""
"7227902","8.418","0.005","10.214","0.005","11.382","0.005","75.111","0.005","83.956","0.005","78.582","0.005","925.5","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H16 Cd N O7 -","- C22 H16 Cd N O7 -","- C44 H32 Cd2 N2 O14 -","2","1","","Gupta, Anoop K.; Tomar, Kapil; Bharadwaj, Parimal K.","Cd(ii) coordination polymers constructed with a flexible carboxylate linker and pyridyl co-linkers: variation in the network topologies and photoluminescence properties","CrystEngComm","2017","19","16","2253","","10.1039/C7CE00156H","","","0.71069","MoKα","","0.0448","0.036","","","0.0843","0.0888","","","","","","1.053","","","","has coordinates","196381","2020-10-21","18:00:00",""
"7227903","9.904","0.005","11.945","0.005","13.078","0.005","69.194","0.005","75.412","0.005","70.291","0.005","1346.1","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H52 Cd3 N4 O17 -","- C58 H52 Cd3 N4 O17 -","- C58 H52 Cd3 N4 O17 -","1","0.5","","Gupta, Anoop K.; Tomar, Kapil; Bharadwaj, Parimal K.","Cd(ii) coordination polymers constructed with a flexible carboxylate linker and pyridyl co-linkers: variation in the network topologies and photoluminescence properties","CrystEngComm","2017","19","16","2253","","10.1039/C7CE00156H","","","0.71069","MoKα","","0.0871","0.0466","","","0.0899","0.1021","","","","","","1.028","","","","has coordinates","196381","2020-10-21","18:00:00",""
"7227904","9.995","0.005","18.248","0.005","22.57","0.005","90","0.005","90","0.005","90","0.005","4117","3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H40 Cd3 O26 -","- C32 H40 Cd3 O26 -","- C128 H160 Cd12 O104 -","4","1","","Gupta, Anoop K.; Tomar, Kapil; Bharadwaj, Parimal K.","Cd(ii) coordination polymers constructed with a flexible carboxylate linker and pyridyl co-linkers: variation in the network topologies and photoluminescence properties","CrystEngComm","2017","19","16","2253","","10.1039/C7CE00156H","","","0.71069","MoKα","","0.0511","0.0388","","","0.09","0.0972","","","","","","1.08","","","","has coordinates","196381","2020-10-21","18:00:00",""
"7227905","16.164","0.005","11.755","0.005","20.199","0.004","90","","120.402","0.017","90","","3310.2","1.9","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C62 H46 Cd3 N6 O16 -","- C62 H46 Cd3 N6 O16 -","- C124 H92 Cd6 N12 O32 -","2","0.5","","Gupta, Anoop K.; Tomar, Kapil; Bharadwaj, Parimal K.","Cd(ii) coordination polymers constructed with a flexible carboxylate linker and pyridyl co-linkers: variation in the network topologies and photoluminescence properties","CrystEngComm","2017","19","16","2253","","10.1039/C7CE00156H","","","0.71069","MoKα","","0.0961","0.0593","","","0.1531","0.1683","","","","","","1.007","","","","has coordinates","196381","2020-10-21","18:00:00",""
"7227906","15.0907","0.0009","15.2326","0.0009","18.8918","0.0011","80.9942","0.0009","83.7204","0.001","75.2446","0.0009","4136.7","0.4","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H56 As6 Cu4 Mo36 N32 Na2 O128 -","- C48 H56 As6 Cu4 Mo36 N32 Na2 O128 -","- C48 H56 As6 Cu4 Mo36 N32 Na2 O128 -","1","0.5","","Li, Feng-rui; Lv, Jing-hua; Yu, Kai; Zhang, He; Wang, Chun-mei; Wang, Chunxiao; Zhou, Bai-bin","Two extended Wells–Dawson arsenomolybdate architectures directed by Na(i) and/or Cu(i) organic complex linkers","CrystEngComm","2017","19","17","2320","","10.1039/C6CE02539K","","","0.71","MoKα","","0.082","0.0757","","","0.1037","0.1251","","","","","","1.093","","","","has coordinates","287753","2023-11-23","09:34:45",""
"7227907","22.034","0.013","22.034","0.013","34.773","0.016","90","","90","","120","","14620","14","296","2","296","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C144 H144 As12 Cu36 Mo108 N216 O372 -","- C144 H144 As12 Cu36 Mo108 N216 O371.964 -","- C144 H144 As12 Cu36 Mo108 N216 O371.964 -","1","0.0277778","","Li, Feng-rui; Lv, Jing-hua; Yu, Kai; Zhang, He; Wang, Chun-mei; Wang, Chunxiao; Zhou, Bai-bin","Two extended Wells‒Dawson arsenomolybdate architectures directed by Na(i) and/or Cu(i) organic complex linkers","CrystEngComm","2017","19","17","2320","","10.1039/C6CE02539K","","","0.71073","MoKα","","0.0891","0.0717","","","0.1827","0.2128","","","","","","1.07","","","","has coordinates,has disorder","196376","2020-10-21","18:00:00",""
"7227908","13.3102","0.0019","17.025","0.002","14.896","0.002","90","","108.86","0.004","90","","3194.3","0.7","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","{D-Gln@TMeQ[6]}.Cl.11H2O","complex1","","- C45 H77 Cl N26 O26 -","- C45 H55 Cl N26 O26 -","- C90 H110 Cl2 N52 O52 -","2","1","","Shan, Pei-Hui; Tu, Shi-Chun; Lin, Rui-Lian; Tao, Zhu; Liu, Jing-Xin; Xiao, Xin","Supramolecular complexes of α,α′,δ,δ′-tetramethyl-cucurbit[6]uril binding with enantiomeric amino acids","CrystEngComm","2017","19","16","2168","","10.1039/C7CE00340D","","","0.71073","MoKα","","0.1773","0.0989","","","0.2487","0.3059","","","","","","1.003","","","","has coordinates","196383","2020-10-21","18:00:00",""
"7227909","13.4651","0.0009","16.34","0.0011","29.934","0.002","90","","100.665","0.002","90","","6472.3","0.8","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","{TMeQ[6]?Cd(H2O)3D-Val?TMeQ[6]}.(NO3)2.21H2O","complex7","","- C85 H139 Cd N51 O53 -","- C85 H97 Cd N49 O45 -","- C170 H194 Cd2 N98 O90 -","2","1","","Shan, Pei-Hui; Tu, Shi-Chun; Lin, Rui-Lian; Tao, Zhu; Liu, Jing-Xin; Xiao, Xin","Supramolecular complexes of α,α′,δ,δ′-tetramethyl-cucurbit[6]uril binding with enantiomeric amino acids","CrystEngComm","2017","19","16","2168","","10.1039/C7CE00340D","","","0.71073","MoKα","","0.0523","0.0438","","","0.1082","0.1132","","","","","","1.013","","","","has coordinates","196383","2020-10-21","18:00:00",""
"7227910","13.277","0.002","17.119","0.003","15.609","0.003","90","","112.981","0.002","90","","3266.2","1","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","L-Ser?TMeQ[6].Cl.10H2O","complex6","","- C43 H72 Cl N25 O25 -","- C43 H52 N25 O25 -","- C86 H104 N50 O50 -","2","1","","Shan, Pei-Hui; Tu, Shi-Chun; Lin, Rui-Lian; Tao, Zhu; Liu, Jing-Xin; Xiao, Xin","Supramolecular complexes of α,α′,δ,δ′-tetramethyl-cucurbit[6]uril binding with enantiomeric amino acids","CrystEngComm","2017","19","16","2168","","10.1039/C7CE00340D","","","0.71073","MoKα","","0.1404","0.0667","","","0.1728","0.1873","","","","","","1.013","","","","has coordinates","196383","2020-10-21","18:00:00",""
"7227911","13.219","0.003","17.089","0.004","15.467","0.003","90","","112.608","0.007","90","","3225.5","1.2","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","D-Ser?TMeQ[6].Cl.10H2O","complex5","","- C43 H72 Cl N25 O25 -","- C43 H52 N25 O24.5 -","- C86 H104 N50 O49 -","2","1","","Shan, Pei-Hui; Tu, Shi-Chun; Lin, Rui-Lian; Tao, Zhu; Liu, Jing-Xin; Xiao, Xin","Supramolecular complexes of α,α′,δ,δ′-tetramethyl-cucurbit[6]uril binding with enantiomeric amino acids","CrystEngComm","2017","19","16","2168","","10.1039/C7CE00340D","","","0.71073","MoKα","","0.0901","0.0776","","","0.2151","0.2288","","","","","","1.013","","","","has coordinates","196383","2020-10-21","18:00:00",""
"7227912","11.9992","0.0009","12.9523","0.0005","12.967","0.0005","117.184","0.001","105.147","0.002","93.662","0.002","1690.55","0.16","293","2","293","2","","","","","","","","6","P 1","P 1","1","{Cd(H2O)5(D-Met)@TMeQ[6]}.(NO3)2.10H2O","complex3","","- C45 H84 Cd N27 O35 S -","- C45 H55 Cd N27 O35 S -","- C45 H55 Cd N27 O35 S -","1","1","","Shan, Pei-Hui; Tu, Shi-Chun; Lin, Rui-Lian; Tao, Zhu; Liu, Jing-Xin; Xiao, Xin","Supramolecular complexes of α,α′,δ,δ′-tetramethyl-cucurbit[6]uril binding with enantiomeric amino acids","CrystEngComm","2017","19","16","2168","","10.1039/C7CE00340D","","","0.71073","MoKα","","0.0466","0.0456","","","0.1259","0.1284","","","","","","1.003","","","","has coordinates","196383","2020-10-21","18:00:00",""
"7227913","13.2985","0.0015","17.0458","0.0019","14.9506","0.0017","90","","108.985","0.003","90","","3204.7","0.6","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","{L-Gln@TMeQ[6]}.Cl.11H2O","complex2","","- C45 H77 Cl N26 O26 -","- C45 H55 Cl N26 O26 -","- C90 H110 Cl2 N52 O52 -","2","1","","Shan, Pei-Hui; Tu, Shi-Chun; Lin, Rui-Lian; Tao, Zhu; Liu, Jing-Xin; Xiao, Xin","Supramolecular complexes of α,α′,δ,δ′-tetramethyl-cucurbit[6]uril binding with enantiomeric amino acids","CrystEngComm","2017","19","16","2168","","10.1039/C7CE00340D","","","0.71073","MoKα","","0.1557","0.0963","","","0.2409","0.2852","","","","","","1.006","","","","has coordinates","196383","2020-10-21","18:00:00",""
"7227914","12.0385","0.0011","12.9653","0.0006","12.9988","0.0006","117.301","0.002","93.649","0.002","105.198","0.002","1699.4","0.2","293","2","293","2","","","","","","","","6","P 1","P 1","1","{Cd(H2O)5(L-Met)@TMeQ[6]}.(NO3)2.10H2O","complex4","","- C45 H84 Cd N27 O35 S -","- C45 H55 Cd N27 O34 S -","- C45 H55 Cd N27 O34 S -","1","1","","Shan, Pei-Hui; Tu, Shi-Chun; Lin, Rui-Lian; Tao, Zhu; Liu, Jing-Xin; Xiao, Xin","Supramolecular complexes of α,α′,δ,δ′-tetramethyl-cucurbit[6]uril binding with enantiomeric amino acids","CrystEngComm","2017","19","16","2168","","10.1039/C7CE00340D","","","0.71073","MoKα","","0.0953","0.0853","","","0.22","0.2464","","","","","","1.003","","","","has coordinates","196383","2020-10-21","18:00:00",""
"7227915","25.5147","0.0015","13.4137","0.0008","14.6329","0.0009","90","","101.966","0.0009","90","","4899.2","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H46 Ce2 N6 O22 -","- C22 H18 Ce2 N2 O18 -","- C88 H72 Ce8 N8 O72 -","4","0.5","","Ma, Aiqing; Ke, Fei; Jiang, Jing; Yuan, Qiaoyu; Luo, Zhidong; Liu, Jianqiang; Kumar, Abhinav","Two lanthanide-based metal‒organic frameworks for highly efficient adsorption and removal of fluoride ions from water","CrystEngComm","2017","19","16","2172","","10.1039/C7CE00291B","","","0.71073","MoKα","","0.0806","0.0562","","","0.1506","0.1698","","","","","","1.039","","","","has coordinates","196384","2020-10-21","18:00:00",""
"7227918","4.0145","0.0003","26.7097","0.0018","11.7285","0.001","90","","94.126","0.007","90","","1254.34","0.17","290","2","290","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C60 H52 N4 O12 -","4","1","","Qian, Zongzheng; Li, Dongxue; Xie, Tongqing; Zhang, Xuepeng; He, Yang; Ai, Yuejie; Zhang, Guoqing","Curved fractal structures of pyridine-substituted β-diketone crystals","CrystEngComm","2017","19","17","2283","","10.1039/C7CE00462A","","","0.71073","MoKα","","0.0573","0.0396","","","0.0754","0.0842","","","","","","1.014","","","","has coordinates,has disorder","196375","2020-10-21","18:00:00",""
"7227919","21.986","0.002","3.9115","0.0004","30.02","0.002","90","","106.946","0.009","90","","2469.6","0.4","290","2","290","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C120 H104 N8 O24 -","8","1","","Qian, Zongzheng; Li, Dongxue; Xie, Tongqing; Zhang, Xuepeng; He, Yang; Ai, Yuejie; Zhang, Guoqing","Curved fractal structures of pyridine-substituted β-diketone crystals","CrystEngComm","2017","19","17","2283","","10.1039/C7CE00462A","","","1.54184","CuKα","","0.0738","0.0575","","","0.1491","0.1688","","","","","","1.039","","","","has coordinates,has disorder","196375","2020-10-21","18:00:00",""
"7227920","3.8841","0.0002","11.6062","0.0006","27.622","0.0012","90","","90","","90","","1245.19","0.11","290","2","290","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C60 H52 N4 O12 -","4","1","","Qian, Zongzheng; Li, Dongxue; Xie, Tongqing; Zhang, Xuepeng; He, Yang; Ai, Yuejie; Zhang, Guoqing","Curved fractal structures of pyridine-substituted β-diketone crystals","CrystEngComm","2017","19","17","2283","","10.1039/C7CE00462A","","","1.54184","CuKα","","0.0454","0.0404","","","0.1083","0.1139","","","","","","1.077","","","","has coordinates,has disorder","196375","2020-10-21","18:00:00",""
"7227921","33.6004","0.0006","26.9604","0.0005","23.2138","0.0005","90","","90","","90","","21028.9","0.7","133","2","133","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C50 H28 Co3 N2 O16 -","- C50 H28 Co3 N2 O16 -","- C400 H224 Co24 N16 O128 -","8","0.5","","Akintola, Oluseun; Ziegenbalg, Sven; Buchholz, Axel; Görls, Helmar; Plass, Winfried","Robust anionic pillared-layer framework with triphenylamine-based linkers: ion exchange and counterion-dependent sorption properties","CrystEngComm","2017","","","","","10.1039/C7CE00369B","","","0.71073","MoKα","","0.0929","0.0649","","","0.182","0.1984","","","","","","1.02","","","","has coordinates","194464","2020-10-21","18:00:00",""
"7227922","4.8168","0.0006","10.4707","0.001","11.0951","0.0009","107.086","0.008","95.382","0.009","93.503","0.009","530.21","0.1","100","2","100","2","","","","","","","","3","P 1","P 1","1","","","","- C4 H6 O5 -","- C4 H6 O5 -","- C16 H24 O20 -","4","4","","Kotelnikova, Elena N.; Isakov, Anton I.; Lorenz, Heike","Non-equimolar discrete compounds in binary chiral systems of organic substances","CrystEngComm","2017","19","14","1851","","10.1039/C6CE02209J","","x-ray","1.54184","CuKα","","0.0557","0.0519","","","0.1375","0.1425","","","","","","1.034","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7227923","25.7697","0.0014","5.2445","0.0002","9.6681","0.0006","90","","97.215","0.005","90","","1296.29","0.12","100.01","0.1","100.01","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C10.85 H22.57 N2 O4 -","- C10.845 H22.57 N2 O4 -","- C43.38 H90.28 N8 O16 -","4","1","","Kotelnikova, Elena N.; Isakov, Anton I.; Lorenz, Heike","Non-equimolar discrete compounds in binary chiral systems of organic substances","CrystEngComm","2017","19","14","1851","","10.1039/C6CE02209J","","x-ray","1.54184","CuKα","","0.0439","0.0428","","","0.1171","0.1182","","","","","","1.061","","","","has coordinates","195033","2020-10-21","18:00:00",""
"7227947","10.4656","0.0004","13.8598","0.0005","11.2698","0.0004","90","","110.768","0.001","90","","1528.48","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H38 N4 O6 P2 -","- C30 H38 N4 O6 P2 -","- C60 H76 N8 O12 P4 -","2","0.5","","Gholivand, Khodayar; Hosseini, Mahdieh; Ebrahimi valmoozi, Ali Asghar; Farshadfar, Kaveh","Polymorphism, Pseudo-polymorphism, and Conformerism in the Crystal Structure of Piperazine-N,N’-bis(N,O-diphenyl phosphoramidate)","CrystEngComm","2017","","","","","10.1039/C7CE00039A","","","0.71073","MoKα","","0.0631","0.0491","","","0.1184","0.1284","","","","","","1.05","","","","has coordinates,has disorder","194631","2020-10-21","18:00:00",""
"7227948","9.422","0.003","10.045","0.003","14.165","0.004","90","","94.264","0.005","90","","1336.9","0.7","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 N4 O4 P2 -","- C28 H30 N4 O4 P2 -","- C56 H60 N8 O8 P4 -","2","0.5","","Gholivand, Khodayar; Hosseini, Mahdieh; Ebrahimi valmoozi, Ali Asghar; Farshadfar, Kaveh","Polymorphism, Pseudo-polymorphism, and Conformerism in the Crystal Structure of Piperazine-N,N’-bis(N,O-diphenyl phosphoramidate)","CrystEngComm","2017","","","","","10.1039/C7CE00039A","","","0.71073","MoKα","","0.0621","0.0427","","","0.1029","0.1172","","","","","","0.968","","","","has coordinates","194631","2020-10-21","18:00:00",""
"7227949","12.9321","0.0004","19.0714","0.0006","21.9285","0.0007","90","","90","","90","","5408.3","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H30 N4 O4 P2 -","- C28 H30 N4 O4 P2 -","- C224 H240 N32 O32 P16 -","8","2","","Gholivand, Khodayar; Hosseini, Mahdieh; Ebrahimi valmoozi, Ali Asghar; Farshadfar, Kaveh","Polymorphism, Pseudo-polymorphism, and Conformerism in the Crystal Structure of Piperazine-N,N’-bis(N,O-diphenyl phosphoramidate)","CrystEngComm","2017","","","","","10.1039/C7CE00039A","","","0.71073","MoKα","","0.0393","0.032","","","0.0844","0.09","","","","","","1.065","","","","has coordinates","194631","2020-10-21","18:00:00",""
"7227961","15.887","0.0016","5.9848","0.0006","13.8225","0.0014","90","","93.469","0.005","90","","1311.8","0.2","298","2","298.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(AN2690)(ina)","5-fluoro-1,3-dihydro-1-hydroxy-2,1-benzoxaborole, isonicotinamide","","- C13 H12 B F N2 O3 -","- C13 H12 B F N2 O3 -","- C52 H48 B4 F4 N8 O12 -","4","1","","Campillo-Alvarado, Gonzalo; Staudt, Colton; Bak, Melissa; MacGillivray, Len R.","Generation of cocrystals of Tavaborole (AN2690): opportunities for boron-containing APIs","CrystEngComm","2017","","","","","10.1039/C7CE00314E","","","0.71073","MoKα","","0.0794","0.0468","","","0.117","0.1346","","","","","","1.069","","","","has coordinates","194677","2020-10-21","18:00:00",""
"7227962","15.0294","0.0015","5.9476","0.0006","14.5384","0.0015","90","","110.69","0.005","90","","1215.8","0.2","298","2","298.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","2(AN2690)(bpeta)","5-fluoro-1,3-dihydro-1-hydroxy-2,1-benzoxaborole, 1,2-bis(4-pyridyl)ethane","","- C26 H24 B2 F2 N2 O4 -","- C26 H24 B2 F2 N2 O4 -","- C52 H48 B4 F4 N4 O8 -","2","0.5","","Campillo-Alvarado, Gonzalo; Staudt, Colton; Bak, Melissa; MacGillivray, Len R.","Generation of cocrystals of Tavaborole (AN2690): opportunities for boron-containing APIs","CrystEngComm","2017","","","","","10.1039/C7CE00314E","","","0.71073","MoKα","","0.0599","0.0467","","","0.1319","0.1443","","","","","","1.02","","","","has coordinates","194677","2020-10-21","18:00:00",""
"7227963","14.8742","0.0015","5.9305","0.0006","14.3285","0.0014","90","","109.171","0.005","90","","1193.8","0.2","298","","298.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","2(AN2690)(bpe)","5-fluoro-1,3-dihydro-1-hydroxy-2,1-benzoxaborole, 1,2-bis(4-pyridyl)ethylene","","- C26 H22 B2 F2 N2 O4 -","- C26 H22 B2 F2 N2 O4 -","- C52 H44 B4 F4 N4 O8 -","2","0.5","","Campillo-Alvarado, Gonzalo; Staudt, Colton; Bak, Melissa; MacGillivray, Len R.","Generation of cocrystals of Tavaborole (AN2690): opportunities for boron-containing APIs","CrystEngComm","2017","","","","","10.1039/C7CE00314E","","","0.71073","MoKα","","0.0484","0.0374","","","0.1067","0.1186","","","","","","0.999","","","","has coordinates","194677","2020-10-21","18:00:00",""
"7227964","14.5378","0.0015","6.0517","0.0006","14.4276","0.0014","90","","118.366","0.005","90","","1116.9","0.2","298","2","298.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","2(AN2690)(bpy)","5-fluoro-1,3-dihydro-1-hydroxy-2,1-benzoxaborole, 4,4'-bipyridine","","- C24 H20 B2 F2 N2 O4 -","- C24 H20 B2 F2 N2 O4 -","- C48 H40 B4 F4 N4 O8 -","2","0.5","","Campillo-Alvarado, Gonzalo; Staudt, Colton; Bak, Melissa; MacGillivray, Len R.","Generation of cocrystals of Tavaborole (AN2690): opportunities for boron-containing APIs","CrystEngComm","2017","","","","","10.1039/C7CE00314E","","","0.71073","MoKα","","0.0595","0.0413","","","0.1033","0.1153","","","","","","1.088","","","","has coordinates","194677","2020-10-21","18:00:00",""
"7227965","14.8042","0.0004","16.9788","0.0004","17.5636","0.0006","99.169","0.002","104.186","0.003","101.157","0.002","4098.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C91 H94 N8 O19 Zn3 -","- C91 H94 N8 O19 Zn3 -","- C182 H188 N16 O38 Zn6 -","2","1","","Chen, Dong-Hui; Lin, Ling; Sheng, Tianlu; Wen, Yuehong; Hu, Shengmin; Fu, Ruibiao; Zhuo, Chao; Li, Haoran; Wu, Xintao","Syntheses, structures and luminescence properties of five coordination polymers based on designed 2,7-bis(4-benzoic acid)-N-(4-benzoic acid) carbazole","CrystEngComm","2017","","","","","10.1039/C7CE00361G","","","1.54178","CuKα","","0.0928","0.0736","","","0.2125","0.2274","","","","","","1.099","","","","has coordinates","194678","2020-10-21","18:00:00",""
"7227966","15.8325","0.0019","22.884","0.003","36.596","0.005","90","","97.523","0.002","90","","13145","3","293","2","293","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C278 H276 Cd9 N25 O62 -","- C278 H275 Cd9 N25 O62 -","- C556 H550 Cd18 N50 O124 -","2","1","","Chen, Dong-Hui; Lin, Ling; Sheng, Tianlu; Wen, Yuehong; Hu, Shengmin; Fu, Ruibiao; Zhuo, Chao; Li, Haoran; Wu, Xintao","Syntheses, structures and luminescence properties of five coordination polymers based on designed 2,7-bis(4-benzoic acid)-N-(4-benzoic acid) carbazole","CrystEngComm","2017","","","","","10.1039/C7CE00361G","","","0.71073","MoKα","","0.0564","0.0519","","","0.1315","0.1363","","","","","","1.107","","","","has coordinates","194678","2020-10-21","18:00:00",""
"7227967","30.057","0.006","16.187","0.003","21.894","0.004","90","","114.478","0.003","90","","9695","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C74 H54 N4 O14 Zn3 -","- C74 H54 N4 O14 Zn3 -","- C296 H216 N16 O56 Zn12 -","4","0.5","","Chen, Dong-Hui; Lin, Ling; Sheng, Tianlu; Wen, Yuehong; Hu, Shengmin; Fu, Ruibiao; Zhuo, Chao; Li, Haoran; Wu, Xintao","Syntheses, structures and luminescence properties of five coordination polymers based on designed 2,7-bis(4-benzoic acid)-N-(4-benzoic acid) carbazole","CrystEngComm","2017","","","","","10.1039/C7CE00361G","","","0.71073","MoKα","","0.0583","0.0495","","","0.1449","0.1517","","","","","","1.083","","","","has coordinates","194678","2020-10-21","18:00:00",""
"7227968","11.151","0.004","14.724","0.005","15.569","0.005","63.18","0.012","71.118","0.014","79.302","0.017","2156.1","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H47 Cd1.5 N4 O10 -","- C45 H47 Cd1.5 N4 O10 -","- C90 H94 Cd3 N8 O20 -","2","1","","Chen, Dong-Hui; Lin, Ling; Sheng, Tianlu; Wen, Yuehong; Hu, Shengmin; Fu, Ruibiao; Zhuo, Chao; Li, Haoran; Wu, Xintao","Syntheses, structures and luminescence properties of five coordination polymers based on designed 2,7-bis(4-benzoic acid)-N-(4-benzoic acid) carbazole","CrystEngComm","2017","","","","","10.1039/C7CE00361G","","","0.71073","MoKα","","0.0478","0.0429","","","0.1379","0.1418","","","","","","1.048","","","","has coordinates","194678","2020-10-21","18:00:00",""
"7227969","14.6832","0.0005","15.5902","0.0006","19.356","0.0003","83.727","0.005","81.479","0.005","87.507","0.006","4354","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C90 H98 N8 O22 Zn3 -","- C90 H94 N8 O22 Zn3 -","- C180 H188 N16 O44 Zn6 -","2","1","","Chen, Dong-Hui; Lin, Ling; Sheng, Tianlu; Wen, Yuehong; Hu, Shengmin; Fu, Ruibiao; Zhuo, Chao; Li, Haoran; Wu, Xintao","Syntheses, structures and luminescence properties of five coordination polymers based on designed 2,7-bis(4-benzoic acid)-N-(4-benzoic acid) carbazole","CrystEngComm","2017","","","","","10.1039/C7CE00361G","","","0.71073","MoKα","","0.0795","0.0699","","","0.2137","0.2252","","","","","","1.105","","","","has coordinates","194678","2020-10-21","18:00:00",""
"7227970","10.7451","0.0011","5.1443","0.0005","10.5886","0.001","90","","93.357","0.001","90","","584.29","0.1","296.15","","298.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 O6 P2 Zn2 -","- C8 H8 O6 P2 Zn2 -","- C16 H16 O12 P4 Zn4 -","2","0.5","","Zhang, Li; Li, Sanying; Liu, Lei; Dong, Jinxiang; Lin, Zhi","Four new zinc (II) diphosphonates obtained via an ionothermal route: crystal structures and phase transformation behaviour","CrystEngComm","2017","","","","","10.1039/C7CE00400A","","","0.71073","MoKα","","0.0538","0.0459","","","0.1234","0.1316","","","","","","1.035","","","","has coordinates","194679","2020-10-21","18:00:00",""
"7227971","22.259","0.002","5.8452","0.0006","4.9451","0.0004","90","","90","","90","","643.4","0.1","298","2","298.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H12 O8 P2 Zn2 -","- C8 H12 O8 P2 Zn2 -","- C16 H24 O16 P4 Zn4 -","2","0.25","","Zhang, Li; Li, Sanying; Liu, Lei; Dong, Jinxiang; Lin, Zhi","Four new zinc (II) diphosphonates obtained via an ionothermal route: crystal structures and phase transformation behaviour","CrystEngComm","2017","","","","","10.1039/C7CE00400A","","","0.71073","MoKα","","0.0627","0.058","","","0.1474","0.1503","","","","","","1.093","","","","has coordinates","194679","2020-10-21","18:00:00",""
"7227972","13.1036","0.0012","22.262","0.002","8.5052","0.0008","90","","90","","90","","2481.1","0.4","298","2","298.15","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C16 H20 Na2 O14 P4 Zn3 -","- C16 H20 Na2 O14 P4 Zn3 -","- C64 H80 Na8 O56 P16 Zn12 -","4","0.5","","Zhang, Li; Li, Sanying; Liu, Lei; Dong, Jinxiang; Lin, Zhi","Four new zinc (II) diphosphonates obtained via an ionothermal route: crystal structures and phase transformation behaviour","CrystEngComm","2017","","","","","10.1039/C7CE00400A","","","0.71073","MoKα","","0.0384","0.0298","","","0.0789","0.0824","","","","","","1.046","","","","has coordinates","194679","2020-10-21","18:00:00",""
"7227973","20.9501","0.0018","5.2845","0.0004","23.55","0.002","90","","93.373","0.001","90","","2602.7","0.4","298","2","298.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H24 Na2 O15 P4 Zn2 -","- C16 H22 Na2 O15 P4 Zn2 -","- C64 H88 Na8 O60 P16 Zn8 -","4","0.5","","Zhang, Li; Li, Sanying; Liu, Lei; Dong, Jinxiang; Lin, Zhi","Four new zinc (II) diphosphonates obtained via an ionothermal route: crystal structures and phase transformation behaviour","CrystEngComm","2017","","","","","10.1039/C7CE00400A","","","0.71073","MoKα","","0.0669","0.0434","","","0.0939","0.103","","","","","","1.056","","","","has coordinates","194679","2020-10-21","18:00:00",""
"7227974","10.8895","0.0002","15.6795","0.0004","16.3632","0.0003","99.4445","0.0018","93.0501","0.0015","93.7936","0.0017","2744.14","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26.5 H31 Cl I N5 Pt -","- C26.5 H31 Cl I N5 Pt -","- C106 H124 Cl4 I4 N20 Pt4 -","4","2","","Novikov, Alexander S.; Ivanov, Daniil M.; Avdontceva, Margarita S.; Kukushkin, Vadim Yu.","Diiodomethane as Halogen Bond Donor toward Metal-bound Halides","CrystEngComm","2017","","","","","10.1039/C7CE00346C","","","0.71073","MoKα","","0.0398","0.0289","","","0.0625","0.0673","","","","","","1.039","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7227975","36.424","0.005","17.532","0.002","13.651","0.0018","90","","93.591","0.004","90","","8700.2","1.9","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H97 Cs N24 O35 -","- C72 H72 Cs N24 O25 -","- C288 H288 Cs4 N96 O100 -","4","0.5","","Shen, Feng-Fang; Zhao, Jiang-Lin; Chen, Kai; Hua, Zi-Yi; Chen, Mindong; Zhang, Yun-Qian; Zhu, Qian-Jiang; Tao, Zhu","Supramolecular coordination assemblies of a Symmetrical Octamethyl-Substituted Cucurbituril with alkali metal ions based on the outer-surface interactions of cucurbit[n]urils","CrystEngComm","2017","","","","","10.1039/C7CE00233E","","","0.71073","MoKα","","0.1489","0.1238","","","0.397","0.4098","","","","","","1.539","","","","has coordinates","194682","2020-10-21","18:00:00",""
"7227976","21.382","0.003","13.15","0.002","26.066","0.004","90","","106.422","0.003","90","","7030.1","1.8","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C44 H68 Cd2 Cl7 Cs N24 O19 -","- C44 H52 Cd2 Cl7 Cs N24 O12 -","- C176 H208 Cd8 Cl28 Cs4 N96 O48 -","4","0.5","","Shen, Feng-Fang; Zhao, Jiang-Lin; Chen, Kai; Hua, Zi-Yi; Chen, Mindong; Zhang, Yun-Qian; Zhu, Qian-Jiang; Tao, Zhu","Supramolecular coordination assemblies of a Symmetrical Octamethyl-Substituted Cucurbituril with alkali metal ions based on the outer-surface interactions of cucurbit[n]urils","CrystEngComm","2017","","","","","10.1039/C7CE00233E","","","0.71073","MoKα","","0.075","0.0576","","","0.1731","0.1855","","","","","","1.117","","","","has coordinates","194682","2020-10-21","18:00:00",""
"7227977","13.3215","0.0005","16.4274","0.0007","16.0353","0.0006","90","","113.592","0.001","90","","3215.8","0.2","223","2","223","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C44 H80 Cd Cl4 N24 O25 -","- C44 H52 Cd Cl4 N24 O12 -","- C88 H104 Cd2 Cl8 N48 O24 -","2","1","","Shen, Feng-Fang; Zhao, Jiang-Lin; Chen, Kai; Hua, Zi-Yi; Chen, Mindong; Zhang, Yun-Qian; Zhu, Qian-Jiang; Tao, Zhu","Supramolecular coordination assemblies of a Symmetrical Octamethyl-Substituted Cucurbituril with alkali metal ions based on the outer-surface interactions of cucurbit[n]urils","CrystEngComm","2017","","","","","10.1039/C7CE00233E","","","0.71073","MoKα","","0.0464","0.0413","","","0.0963","0.0984","","","","","","1.04","","","","has coordinates","194682","2020-10-21","18:00:00",""
"7227978","12.4353","0.0009","12.8181","0.0009","13.2339","0.0009","61.113","0.002","79.45","0.002","79.892","0.002","1806.4","0.2","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H76 Cd2 Cl8 K4 N24 O24 -","- C44 H52 Cd2 Cl8 K4 N24 O22 -","- C44 H52 Cd2 Cl8 K4 N24 O22 -","1","0.5","","Shen, Feng-Fang; Zhao, Jiang-Lin; Chen, Kai; Hua, Zi-Yi; Chen, Mindong; Zhang, Yun-Qian; Zhu, Qian-Jiang; Tao, Zhu","Supramolecular coordination assemblies of a Symmetrical Octamethyl-Substituted Cucurbituril with alkali metal ions based on the outer-surface interactions of cucurbit[n]urils","CrystEngComm","2017","","","","","10.1039/C7CE00233E","","","0.71073","MoKα","","0.0973","0.0824","","","0.2225","0.233","","","","","","1.044","","","","has coordinates","194682","2020-10-21","18:00:00",""
"7227979","11.239","0.006","15.408","0.008","24.027","0.012","90","","98.565","0.014","90","","4114","4","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H90 Cl2 N24 Na2 O31 -","- C72 H76 Cl2 N24 Na2 O30 -","- C144 H152 Cl4 N48 Na4 O60 -","2","0.5","","Shen, Feng-Fang; Zhao, Jiang-Lin; Chen, Kai; Hua, Zi-Yi; Chen, Mindong; Zhang, Yun-Qian; Zhu, Qian-Jiang; Tao, Zhu","Supramolecular coordination assemblies of a Symmetrical Octamethyl-Substituted Cucurbituril with alkali metal ions based on the outer-surface interactions of cucurbit[n]urils","CrystEngComm","2017","","","","","10.1039/C7CE00233E","","","0.71073","MoKα","","0.114","0.0609","","","0.1618","0.1919","","","","","","0.922","","","","has coordinates","194682","2020-10-21","18:00:00",""
"7227980","12.3158","0.0007","16.9613","0.0009","16.6577","0.0008","90","","96.41","0.002","90","","3457.9","0.3","223","2","223","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C44 H81 Cd2 Cl7 N24 O25 -","- C44 H52 Cd2 Cl7 N24 O12 -","- C88 H104 Cd4 Cl14 N48 O24 -","2","0.5","","Shen, Feng-Fang; Zhao, Jiang-Lin; Chen, Kai; Hua, Zi-Yi; Chen, Mindong; Zhang, Yun-Qian; Zhu, Qian-Jiang; Tao, Zhu","Supramolecular coordination assemblies of a Symmetrical Octamethyl-Substituted Cucurbituril with alkali metal ions based on the outer-surface interactions of cucurbit[n]urils","CrystEngComm","2017","","","","","10.1039/C7CE00233E","","","0.71073","MoKα","","0.0987","0.0691","","","0.1647","0.1763","","","","","","1.036","","","","has coordinates","194682","2020-10-21","18:00:00",""
"7227981","10.337","0.002","15.507","0.003","27.383","0.006","90","","96.84","0.03","90","","4358.1","1.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 Co N2 O6 -","- C26 H22 Co N2 O6 -","- C104 H88 Co4 N8 O24 -","4","0.5","","Martins, Vinícius; Camargos-Resende, Jackson A. L.; Machado Ronconi, Célia","A series of coordination networks constructed from the rigid ligand 4,4'-ethynylenedibenzoate: topological diversity, entanglement, supramolecular interactions and photophysical properties","CrystEngComm","2017","","","","","10.1039/C7CE00306D","","x-ray","0.71073","MoKα","","0.0822","0.0578","","","0.2179","0.2431","","","","","","0.915","","","","has coordinates,has disorder","194684","2020-10-21","18:00:00",""
"7227982","8.1941","0.0005","16.2658","0.0009","16.7088","0.0009","78.246","0.002","87.041","0.002","84.491","0.002","2169.1","0.2","287","2","287","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H19 Er O8 S -","- C26 H19 Er O8 S -","- C52 H38 Er2 O16 S2 -","2","1","","Martins, Vinícius; Camargos-Resende, Jackson A. L.; Machado Ronconi, Célia","A series of coordination networks constructed from the rigid ligand 4,4'-ethynylenedibenzoate: topological diversity, entanglement, supramolecular interactions and photophysical properties","CrystEngComm","2017","","","","","10.1039/C7CE00306D","","","0.71073","MoKα","","0.047","0.0339","","","0.079","0.0842","","","","","","1.032","","","","has coordinates,has disorder","194684","2020-10-21","18:00:00",""
"7227983","32.978","0.007","7.9043","0.0016","19.738","0.004","90","","106.77","0.03","90","","4926.2","1.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H23 Cd O6.25 S2.5 -","- C21 H23 Cd O6.25 S2.5 -","- C168 H184 Cd8 O50 S20 -","8","1","","Martins, Vinícius; Camargos-Resende, Jackson A. L.; Machado Ronconi, Célia","A series of coordination networks constructed from the rigid ligand 4,4'-ethynylenedibenzoate: topological diversity, entanglement, supramolecular interactions and photophysical properties","CrystEngComm","2017","","","","","10.1039/C7CE00306D","","x-ray","0.71073","MoKα","","0.0441","0.03","","","0.062","0.0674","","","","","","1.084","","","","has coordinates,has disorder","194684","2020-10-21","18:00:00",""
"7227984","35.067","0.003","24.035","0.003","26.081","0.003","90","","132.068","0.003","90","","16318","3","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H32 Gd2 O16 -","- C48 H32 Gd2 O16 -","- C384 H256 Gd16 O128 -","8","1","","Martins, Vinícius; Camargos-Resende, Jackson A. L.; Machado Ronconi, Célia","A series of coordination networks constructed from the rigid ligand 4,4'-ethynylenedibenzoate: topological diversity, entanglement, supramolecular interactions and photophysical properties","CrystEngComm","2017","","","","","10.1039/C7CE00306D","","x-ray","0.71073","MoKα","","0.1879","0.1425","","","0.3835","0.4313","","","","","","1.061","","","","has coordinates","194684","2020-10-21","18:00:00",""
"7227993","27.6575","0.0015","27.6575","0.0015","10.9557","0.0014","90","","90","","120","","7257.7","1.1","290","1","290","1","","","","","","","","4","R 3 :H","R 3","146","S-Thiadianin's, R-Dianin's IPA Quasiracemate, Type I cell","S-4-p-hydroxyphenyl-2,2,4-trimethylthiachroman, R-4-p-hydroxyphenyl-2,2,4-trimethylchroman, 0.33 IPA solvate","","- C38 H45.33 O3.67 S -","- C37.9998 H45.3328 O3.6666 S -","- C341.998 H407.995 O32.9994 S9 -","9","1","","Frampton, Christopher Stephen; MacNicol, David D.; Gall, James H.; Mohd Ali, Hapipah; Azizan, Ainnul; Ketuly, Kamal","An unprecedented Dianin clathrate structure with Z ′ (host) = 16","CrystEngComm","2017","","","","","10.1039/C7CE00451F","","","1.54178","CuKα","","0.0411","0.0397","","","0.116","0.1186","","","","","","1.006","","","","has coordinates","195223","2020-10-21","18:00:00",""
"7227994","28.246","0.004","28.246","0.004","10.965","0.003","90","","90","","120","","7576","3","371","1","371","1","","","","","","","","4","R -3 :H","-R 3","148","S-Dianin's Compound with IPA guest, Type I cell","4-p-hydroxyphenyl-2,2,4-trimethylthiachroman: 0.33 IPA solvate","","- C19 H22.67 O1.33 S -","- C18.3334 H20 O1.08333 S -","- C330.001 H360 O19.5 S18 -","18","1","","Frampton, Christopher Stephen; MacNicol, David D.; Gall, James H.; Mohd Ali, Hapipah; Azizan, Ainnul; Ketuly, Kamal","An unprecedented Dianin clathrate structure with Z ′ (host) = 16","CrystEngComm","2017","","","","","10.1039/C7CE00451F","","","1.54178","CuKα","","0.2061","0.1493","","","0.3289","0.4072","","","","","","1.981","","","","has coordinates","195223","2020-10-21","18:00:00",""
"7227995","56.1623","0.0004","56.1623","0.0004","10.88656","0.00012","90","","90","","120","","29738","0.4","200","1","200","1","","","","","","","","4","R -3 :H","-R 3","148","S-ThiaDianin's Compound 0.33 IPA solvate, Type II cell","4-p-hydroxyphenyl-2,2,4-trimethylthiachroman 0.33 IPA solvate","","- C19 H22.67 O1.33 S -","- C19 H22.6666 O1.33332 S -","- C1368 H1632 O95.9994 S72 -","72","4","","Frampton, Christopher Stephen; MacNicol, David D.; Gall, James H.; Mohd Ali, Hapipah; Azizan, Ainnul; Ketuly, Kamal","An unprecedented Dianin clathrate structure with Z ′ (host) = 16","CrystEngComm","2017","","","","","10.1039/C7CE00451F","","","1.54178","CuKα","","0.0511","0.0457","","","0.1326","0.1435","","","","","","1","","","","has coordinates,has disorder","195223","2020-10-21","18:00:00",""
"7227996","56.4934","0.0004","56.4934","0.0004","10.9041","0.0001","90","","90","","120","","30138.1","0.4","295","1","295","1","","","","","","","","4","R -3 :H","-R 3","148","S-ThiaDianin's Compound 0.33 IPA solvate, Type II cell","4-p-hydroxyphenyl-2,2,4-trimethylthiachroman: 0.33 IPA solvate","","- C19 H22.67 O1.33 S -","- C19 H22.6666 O1.33332 S -","- C1368 H1632 O95.9994 S72 -","72","4","","Frampton, Christopher Stephen; MacNicol, David D.; Gall, James H.; Mohd Ali, Hapipah; Azizan, Ainnul; Ketuly, Kamal","An unprecedented Dianin clathrate structure with Z ′ (host) = 16","CrystEngComm","2017","","","","","10.1039/C7CE00451F","","","1.54178","CuKα","","0.0592","0.0545","","","0.1552","0.1614","","","","","","1.026","","","","has coordinates","195223","2020-10-21","18:00:00",""
"7227997","55.0808","0.0009","55.0808","0.0009","10.8542","0.0002","90","","90","","120","","28518.6","0.8","90","1","90","1","","","","","","","","4","R 3 :H","R 3","146","S-Thiadianin's, R-Dianin's IPA Quasiracemate, Type II cell","S-4-p-hydroxyphenyl-2,2,4-trimethylthiachroman, R-4-p-hydroxyphenyl-2,2,4-trimethylchroman, 0.33 IPA solvate","","- C38 H45.33 O3.67 S -","- C38 H45.3332 O3.66666 S -","- C1368 H1632 O132 S36 -","36","4","","Frampton, Christopher Stephen; MacNicol, David D.; Gall, James H.; Mohd Ali, Hapipah; Azizan, Ainnul; Ketuly, Kamal","An unprecedented Dianin clathrate structure with Z ′ (host) = 16","CrystEngComm","2017","","","","","10.1039/C7CE00451F","","","1.54178","CuKα","","0.0317","0.0312","","","0.081","0.0815","","","","","","1.04","","","","has coordinates,has disorder","195223","2020-10-21","18:00:00",""
"7227998","111.791","0.0004","111.791","0.0004","10.8568","0.0001","90","","90","","120","","117502","1.2","90","1","90","1","","","","","","","","4","R -3 :H","-R 3","148","S-ThiaDianin's Compound 0.33 IPA solvate, Type III cell","4-p-hydroxyphenyl-2,2,4-trimethylthiachroman 0.33 IPA solvate","","- C19 H22.67 O1.33 S -","- C19 H22.6667 O1.33333 S -","- C5472 H6528 O383.999 S288 -","288","16","","Frampton, Christopher Stephen; MacNicol, David D.; Gall, James H.; Mohd Ali, Hapipah; Azizan, Ainnul; Ketuly, Kamal","An unprecedented Dianin clathrate structure with Z ′ (host) = 16","CrystEngComm","2017","","","","","10.1039/C7CE00451F","","","1.54178","CuKα","","0.0652","0.0608","","","0.1736","0.1775","","","","","","1.048","","","","has coordinates,has disorder","195223","2020-10-21","18:00:00",""
"7227999","113.983","0.005","113.983","0.005","10.7937","0.0007","90","","90","","120","","121445","11","120","2","120","1","","","","","","","","4","R -3 :H","-R 3","148","SelenaDianin's Compound 0.33 IPA solvate, Type III cell","4-p-hydroxyphenyl-2,2,4-trimethylselenachroman 0.33 IPA solvate","","- C19 H22.67 O1.33 Se -","- C19 H20.4167 O1.33333 Se -","- C5472 H5880 O383.999 Se288 -","288","16","","Frampton, Christopher Stephen; MacNicol, David D.; Gall, James H.; Mohd Ali, Hapipah; Azizan, Ainnul; Ketuly, Kamal","An unprecedented Dianin clathrate structure with Z ′ (host) = 16","CrystEngComm","2017","","","","","10.1039/C7CE00451F","","","0.71073","MoKα","","0.1743","0.1092","","","0.2502","0.2638","","","","","","1.491","","","","has coordinates","195223","2020-10-21","18:00:00",""
"7228000","10.4069","0.0013","14.095","0.0017","15.263","0.002","86.244","0.003","85.165","0.003","85.393","0.004","2219.8","0.5","97","","97","","","","","","","","","7","P -1","-P 1","2","","","","- C83.5 H51 Cl12 N4 O16 Rh4 S8 -","- C83.5 H42 Cl12 N4 O16 Rh4 S8 -","- C83.5 H42 Cl12 N4 O16 Rh4 S8 -","1","0.5","","Sekine, Yoshihiro; Tonouchi, Masanori; Yokoyama, Taiga; Kosaka, Wataru; Miyasaka, Hitoshi","Built-in TTF‒TCNQ charge-transfer salts in π-stacked pillared layer frameworks","CrystEngComm","2017","19","17","2300","","10.1039/C7CE00492C","","","0.71075","MoKα","","","0.0496","","","","0.1333","","","","","","1.067","","","","has coordinates","196374","2020-10-21","18:00:00",""
"7228001","10.929","0.002","13.658","0.003","16.296","0.003","71.368","0.009","74.864","0.01","69.076","0.009","2123.1","0.7","97","","97","","","","","","","","","7","P -1","-P 1","2","","","","- C76 H44 Cl12 N4 O16 Rh4 S4 -","- C76 H38 Cl12 N4 O16 Rh4 S4 -","- C76 H38 Cl12 N4 O16 Rh4 S4 -","1","0.5","","Sekine, Yoshihiro; Tonouchi, Masanori; Yokoyama, Taiga; Kosaka, Wataru; Miyasaka, Hitoshi","Built-in TTF‒TCNQ charge-transfer salts in π-stacked pillared layer frameworks","CrystEngComm","2017","19","17","2300","","10.1039/C7CE00492C","","","0.71075","MoKα","","","0.0514","","","","0.1398","","","","","","1.063","","","","has coordinates","196374","2020-10-21","18:00:00",""
"7228002","8.279","0.0006","13.8112","0.0011","14.0825","0.0013","91.101","0.006","97.128","0.005","90.515","0.004","1597.4","0.2","97","","97","","","","","","","","","7","P -1","-P 1","2","","","","- C40 H44 Cl12 N4 O16 Rh4 S4 -","- C40 H44 Cl12 N4 O16 Rh4 S4 -","- C40 H44 Cl12 N4 O16 Rh4 S4 -","1","0.5","","Sekine, Yoshihiro; Tonouchi, Masanori; Yokoyama, Taiga; Kosaka, Wataru; Miyasaka, Hitoshi","Built-in TTF‒TCNQ charge-transfer salts in π-stacked pillared layer frameworks","CrystEngComm","2017","19","17","2300","","10.1039/C7CE00492C","","","0.71075","MoKα","","","0.0716","","","","0.2091","","","","","","1.092","","","","has coordinates","196374","2020-10-21","18:00:00",""
"7228003","7.7565","0.0002","16.3013","0.0005","18.1525","0.0005","90","","97.092","0.003","90","","2277.66","0.11","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 N7 O6 Zn2 -","- C15 H15 N7 O6 Zn2 -","- C60 H60 N28 O24 Zn8 -","4","1","","Tang, Yu-Huan; Wu, Xin; Wang, Fei; Zhang, Jian","Sythesis of Zeolite-like Metal-organic Frameworks from a Dual-ligand Strategy","CrystEngComm","2017","","","","","10.1039/C7CE00332C","","","1.54178","CuKα","","0.0683","0.0645","","","0.1825","0.1852","","","","","","0.829","","","","has coordinates,has disorder","195226","2020-10-21","18:00:00",""
"7228004","14.0656","0.0005","14.0656","0.0005","15.9629","0.0011","90","","90","","90","","3158.1","0.3","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C21 H14 N8 O6 Zn2 -","- C21 H16 N8 O6 Zn2 -","- C84 H64 N32 O24 Zn8 -","4","0.5","","Tang, Yu-Huan; Wu, Xin; Wang, Fei; Zhang, Jian","Sythesis of Zeolite-like Metal-organic Frameworks from a Dual-ligand Strategy","CrystEngComm","2017","","","","","10.1039/C7CE00332C","","","0.71073","MoKα","","0.0594","0.0548","","","0.1615","0.1663","","","","","","1.061","","","","has coordinates","195226","2020-10-21","18:00:00",""
"7228005","23.9672","0.0002","23.9672","0.0002","14.6637","0.0003","90","","90","","120","","7294.72","0.17","100","0.3","100","0.3","","","","","","","","5","P 6/m","-P 6","175","","","","- C15 H9 N7 O5 Zn2 -","- C15 H9 N7 O5 Zn2 -","- C180 H108 N84 O60 Zn24 -","12","1","","Tang, Yu-Huan; Wu, Xin; Wang, Fei; Zhang, Jian","Sythesis of Zeolite-like Metal-organic Frameworks from a Dual-ligand Strategy","CrystEngComm","2017","","","","","10.1039/C7CE00332C","","","1.54178","CuKα","","0.0935","0.0853","","","0.2698","0.2845","","","","","","1.005","","","","has coordinates,has disorder","195226","2020-10-21","18:00:00",""
"7228006","10.5112","0.0005","16.4981","0.0007","22.863","0.001","90","","90.391","0.001","90","","3964.7","0.3","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","2[Gd(dipic)3] 2[CoEn3] * 17(H2O)","","","- C27 H50 Co Gd N9 O20.5 -","- C27 H50 Co Gd N9 O20.5 -","- C108 H200 Co4 Gd4 N36 O82 -","4","2","","Harrowfield, Jack M.; Kim, Yang; Skelton, Brian W.; Sobolev, Alexandre N.; White, Allan H.","Chiral discrimination in solid-state interactions of cobalt(iii)‒polyamine complex cations with tris-(dipicolinato)lanthanate(iii) anions","CrystEngComm","2017","19","17","2372","","10.1039/C6CE02573K","","","0.71073","MoKα","","0.0734","0.0483","","","0.1124","0.1206","","","","","","1","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7228007","10.4992","0.0004","21.4101","0.0009","16.8664","0.0007","90","","95.879","0.001","90","","3771.4","0.3","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","2[Gd(dipic)3] 2[CoEn3] * 13(H2O)","","","- C27 H46 Co Gd N9 O18.5 -","- C27 H46 Co Gd N9 O18.5 -","- C108 H184 Co4 Gd4 N36 O74 -","4","2","","Harrowfield, Jack M.; Kim, Yang; Skelton, Brian W.; Sobolev, Alexandre N.; White, Allan H.","Chiral discrimination in solid-state interactions of cobalt(iii)‒polyamine complex cations with tris-(dipicolinato)lanthanate(iii) anions","CrystEngComm","2017","19","17","2372","","10.1039/C6CE02573K","","","0.71073","MoKα","","0.0272","0.023","","","0.0478","0.049","","","","","","1.003","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7228008","10.6445","0.0006","10.6445","0.0006","36.732","0.003","90","","90","","120","","3604.3","0.4","150","2","150","2","","","","","","","","6","P 32 2 1","P 32 2""","154","[Gd(dipic)3] [Co(sar)(NO2)2] * 12(H2O)","","","- C35 H63 Co Gd N11 O28 -","- C35 H39 Co Gd N11 O28 -","- C105 H117 Co3 Gd3 N33 O84 -","3","0.5","","Harrowfield, Jack M.; Kim, Yang; Skelton, Brian W.; Sobolev, Alexandre N.; White, Allan H.","Chiral discrimination in solid-state interactions of cobalt(iii)‒polyamine complex cations with tris-(dipicolinato)lanthanate(iii) anions","CrystEngComm","2017","19","17","2372","","10.1039/C6CE02573K","","","0.71073","MoKα","","0.0828","0.0458","","","0.0718","0.0776","","","","","","1.001","","","","has coordinates,has disorder","196378","2020-10-21","18:00:00",""
"7228009","32.494","0.002","10.6067","0.0006","22.729","0.001","90","","115.372","0.001","90","","7078","0.7","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","2[La(dipic)3] 2(CoEn3) * 9(H2O)","","","- C54 H84 Co2 La2 N18 O33 -","- C54 H84 Co2 La2 N18 O33 -","- C216 H336 Co8 La8 N72 O132 -","4","0.5","","Harrowfield, Jack M.; Kim, Yang; Skelton, Brian W.; Sobolev, Alexandre N.; White, Allan H.","Chiral discrimination in solid-state interactions of cobalt(iii)‒polyamine complex cations with tris-(dipicolinato)lanthanate(iii) anions","CrystEngComm","2017","19","17","2372","","10.1039/C6CE02573K","","","0.71073","MoKα","","0.0594","0.0332","","","0.0738","0.0821","","","","","","1.004","","","","has coordinates,has disorder","196378","2020-10-21","18:00:00",""
"7228010","15.191","0.001","10.5019","0.0009","22.891","0.002","90","","107.102","0.002","90","","3490.4","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[La(dipic)3] [CoEn3] * 4(H2O)","","","- C27 H41 Co La N9 O16 -","- C27 H41 Co La N9 O16 -","- C108 H164 Co4 La4 N36 O64 -","4","1","","Harrowfield, Jack M.; Kim, Yang; Skelton, Brian W.; Sobolev, Alexandre N.; White, Allan H.","Chiral discrimination in solid-state interactions of cobalt(iii)‒polyamine complex cations with tris-(dipicolinato)lanthanate(iii) anions","CrystEngComm","2017","19","17","2372","","10.1039/C6CE02573K","","","0.71073","MoKα","","0.0813","0.0443","","","0.0911","0.1022","","","","","","1.003","","","","has coordinates","196378","2020-10-21","18:00:00",""
"7228011","10.6171","0.0005","21.464","0.001","16.9092","0.0009","90","","96.623","0.001","90","","3827.6","0.3","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","2[La(dipic)3] 2[CoEn3] * 13(H2O)","","","- C54 H92 Co2 La2 N18 O37 -","- C54 H90 Co2 La2 N18 O37 -","- C108 H180 Co4 La4 N36 O74 -","2","1","","Harrowfield, Jack M.; Kim, Yang; Skelton, Brian W.; Sobolev, Alexandre N.; White, Allan H.","Chiral discrimination in solid-state interactions of cobalt(iii)‒polyamine complex cations with tris-(dipicolinato)lanthanate(iii) anions","CrystEngComm","2017","19","17","2372","","10.1039/C6CE02573K","","","0.71073","MoKα","","0.0388","0.0299","","","0.0603","0.0628","","","","","","1","","","","has coordinates","196378","2020-10-21","18:00:00",""
"7228012","5.8787","0.0003","8.2985","0.0004","13.07","0.002","81.714","0.008","87.395","0.008","82.183","0.004","624.88","0.11","293","2","293","2","","","4030000","","","","","5","P -1","-P 1","2","tolazamide","N-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","","Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V.","Effect of pressure on two polymorphs of tolazamide: why no interconversion?","CrystEngComm","2017","19","16","2243","","10.1039/C6CE02527G","","","0.71073","MoKα","","0.0716","0.0442","","","0.0868","0.1008","","","","","","1.095","","","","has coordinates","211417","2020-10-21","18:00:00",""
"7228013","6.3489","0.0004","8.8785","0.0005","13.387","0.003","81.965","0.01","85.674","0.01","84.251","0.005","742","0.18","293","2","293","2","","","330000","","","","","5","P -1","-P 1","2","tolazamide","N-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","","Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V.","Effect of pressure on two polymorphs of tolazamide: why no interconversion?","CrystEngComm","2017","19","16","2243","","10.1039/C6CE02527G","","","0.71073","MoKα","","0.1003","0.0526","","","0.1161","0.1425","","","","","","0.972","","","","has coordinates,has disorder","211417","2020-10-21","18:00:00",""
"7228014","6.2278","0.0005","9.026","0.002","13.3215","0.0014","79.608","0.013","86.913","0.008","85.99","0.013","734.09","0.19","293","2","293","2","460000","","460000","","","","","5","P -1","-P 1","2","tolazamide","N-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","","Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V.","Effect of pressure on two polymorphs of tolazamide: why no interconversion?","CrystEngComm","2017","19","16","2243","","10.1039/C6CE02527G","","","0.71073","MoKα","","0.163","0.0772","","","0.1557","0.2054","","","","","","1.033","","","","has coordinates","211416","2020-10-21","18:00:00",""
"7228015","5.7365","0.0003","8.0902","0.0004","12.894","0.002","82.422","0.008","88.028","0.008","82.178","0.004","587.58","0.1","293","2","293","2","","","6830000","","","","","5","P -1","-P 1","2","tolazamide","N-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","","Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V.","Effect of pressure on two polymorphs of tolazamide: why no interconversion?","CrystEngComm","2017","19","16","2243","","10.1039/C6CE02527G","","","0.71073","MoKα","","0.0798","0.0502","","","0.1029","0.1185","","","","","","1.098","","","","has coordinates","211417","2020-10-21","18:00:00",""
"7228016","5.8913","0.0003","8.5944","0.0015","12.8846","0.0015","80.681","0.012","85.494","0.007","85.723","0.009","640.51","0.14","293","2","293","2","3000000","","3000000","","","","","5","P -1","-P 1","2","tolazamide","N-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","","Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V.","Effect of pressure on two polymorphs of tolazamide: why no interconversion?","CrystEngComm","2017","19","16","2243","","10.1039/C6CE02527G","","","0.71073","MoKα","","0.116","0.066","","","0.1148","0.1407","","","","","","1.054","","","","has coordinates","211416","2020-10-21","18:00:00",""
"7228017","5.7168","0.0004","8.3457","0.0014","12.6434","0.001","81.496","0.001","84.436","0.007","85.47","0.011","592.5","0.12","293","2","293","2","6100000","","6100000","","","","","5","P -1","-P 1","2","tolazamide","N-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","","Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V.","Effect of pressure on two polymorphs of tolazamide: why no interconversion?","CrystEngComm","2017","19","16","2243","","10.1039/C6CE02527G","","","0.71073","MoKα","","0.09","0.0539","","","0.1071","0.1256","","","","","","1.063","","","","has coordinates","211416","2020-10-21","18:00:00",""
"7228018","5.7996","0.0003","8.1816","0.0004","12.978","0.003","82.064","0.009","87.702","0.009","82.134","0.004","604.03","0.15","293","2","293","2","","","5450000","","","","","5","P -1","-P 1","2","tolazamide","N-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","","Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V.","Effect of pressure on two polymorphs of tolazamide: why no interconversion?","CrystEngComm","2017","19","16","2243","","10.1039/C6CE02527G","","","0.71073","MoKα","","0.0646","0.0412","","","0.0828","0.097","","","","","","1.036","","","","has coordinates","211417","2020-10-21","18:00:00",""
"7228019","5.8202","0.0003","8.536","0.005","12.7885","0.0014","80.81","0.02","85.069","0.006","85.606","0.014","623.6","0.4","293","2","293","2","4030000","","4030000","","","","","5","P -1","-P 1","2","tolazamide","N-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","","Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V.","Effect of pressure on two polymorphs of tolazamide: why no interconversion?","CrystEngComm","2017","19","16","2243","","10.1039/C6CE02527G","","","0.71073","MoKα","","0.1015","0.0573","","","0.1133","0.1356","","","","","","1.056","","","","has coordinates","211416","2020-10-21","18:00:00",""
"7228020","5.7694","0.0003","8.1369","0.0004","12.941","0.003","82.207","0.009","87.842","0.009","82.147","0.004","596.15","0.15","293","2","293","2","","","6100000","","","","","5","P -1","-P 1","2","tolazamide","N-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","","Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V.","Effect of pressure on two polymorphs of tolazamide: why no interconversion?","CrystEngComm","2017","19","16","2243","","10.1039/C6CE02527G","","","0.71073","MoKα","","0.0666","0.0437","","","0.0895","0.1034","","","","","","1.06","","","","has coordinates","211417","2020-10-21","18:00:00",""
"7228021","5.9272","0.0003","8.3697","0.0004","13.124","0.002","81.58","0.008","87.185","0.008","82.254","0.004","637.89","0.11","293","2","293","2","","","3320000","","","","","5","P -1","-P 1","2","tolazamide","N-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","","Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V.","Effect of pressure on two polymorphs of tolazamide: why no interconversion?","CrystEngComm","2017","19","16","2243","","10.1039/C6CE02527G","","","0.71073","MoKα","","0.0719","0.0416","","","0.0691","0.078","","","","","","1.106","","","","has coordinates","211417","2020-10-21","18:00:00",""
"7228022","5.9669","0.0003","8.6945","0.0018","12.9785","0.0009","80.432","0.01","85.884","0.005","85.774","0.008","660.93","0.15","293","2","293","2","2130000","","2130000","","","","","5","P -1","-P 1","2","tolazamide","N-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","","Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V.","Effect of pressure on two polymorphs of tolazamide: why no interconversion?","CrystEngComm","2017","19","16","2243","","10.1039/C6CE02527G","","","0.71073","MoKα","","0.1204","0.0664","","","0.1401","0.172","","","","","","1.025","","","","has coordinates","211416","2020-10-21","18:00:00",""
"7228023","6.0542","0.0006","8.807","0.003","13.095","0.002","80.05","0.02","86.26","0.011","85.728","0.019","684.8","0.3","293","2","293","2","1330000","","1330000","","","","","5","P -1","-P 1","2","tolazamide","N-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","","Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V.","Effect of pressure on two polymorphs of tolazamide: why no interconversion?","CrystEngComm","2017","19","16","2243","","10.1039/C6CE02527G","","","0.71073","MoKα","","0.1434","0.075","","","0.1709","0.2213","","","","","","1.041","","","","has coordinates","211416","2020-10-21","18:00:00",""
"7228024","6.0717","0.0003","8.5574","0.0005","13.251","0.002","81.402","0.009","86.675","0.009","82.667","0.005","674.66","0.12","293","2","293","2","","","1730000","","","","","5","P -1","-P 1","2","tolazamide","N-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","","Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V.","Effect of pressure on two polymorphs of tolazamide: why no interconversion?","CrystEngComm","2017","19","16","2243","","10.1039/C6CE02527G","","","0.71073","MoKα","","0.0802","0.0465","","","0.0964","0.1153","","","","","","0.935","","","","has coordinates,has disorder","211417","2020-10-21","18:00:00",""
"7228025","5.9122","0.0003","8.617","0.004","12.915","0.0017","80.61","0.019","85.576","0.007","85.688","0.012","645.9","0.3","293","2","293","2","2720000","","2720000","","","","","5","P -1","-P 1","2","tolazamide","N-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","","Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V.","Effect of pressure on two polymorphs of tolazamide: why no interconversion?","CrystEngComm","2017","19","16","2243","","10.1039/C6CE02527G","","","0.71073","MoKα","","0.1297","0.0727","","","0.1649","0.2127","","","","","","1.025","","","","has coordinates","211416","2020-10-21","18:00:00",""
"7228026","5.7692","0.0002","8.421","0.002","12.7212","0.0011","81.231","0.012","84.74","0.005","85.557","0.009","606.96","0.16","293","2","293","2","5010000","","5010000","","","","","5","P -1","-P 1","2","tolazamide","N-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","","Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V.","Effect of pressure on two polymorphs of tolazamide: why no interconversion?","CrystEngComm","2017","19","16","2243","","10.1039/C6CE02527G","","","0.71073","MoKα","","0.0928","0.053","","","0.0904","0.1092","","","","","","1.053","","","","has coordinates","211416","2020-10-21","18:00:00",""
"7228027","5.9953","0.0003","8.4598","0.0004","13.189","0.002","81.453","0.009","86.954","0.009","82.427","0.004","655.35","0.11","293","2","293","2","","","2500000","","","","","5","P -1","-P 1","2","tolazamide","N-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","","Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V.","Effect of pressure on two polymorphs of tolazamide: why no interconversion?","CrystEngComm","2017","19","16","2243","","10.1039/C6CE02527G","","","0.71073","MoKα","","0.0748","0.042","","","0.0933","0.1144","","","","","","0.986","","","","has coordinates,has disorder","211417","2020-10-21","18:00:00",""
"7228028","6.1901","0.0004","8.6946","0.0006","13.321","0.003","81.572","0.011","86.221","0.01","83.18","0.005","703.32","0.17","293","2","293","2","","","1010000","","","","","5","P -1","-P 1","2","tolazamide","N-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","","Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V.","Effect of pressure on two polymorphs of tolazamide: why no interconversion?","CrystEngComm","2017","19","16","2243","","10.1039/C6CE02527G","","","0.71073","MoKα","","0.0854","0.0486","","","0.1118","0.1353","","","","","","0.943","","","","has coordinates,has disorder","211417","2020-10-21","18:00:00",""
"7228029","5.8398","0.0003","8.2425","0.0004","13.031","0.003","81.891","0.008","87.556","0.008","82.156","0.004","614.98","0.15","293","2","293","2","","","4720000","","","","","5","P -1","-P 1","2","tolazamide","N-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide","","- C14 H21 N3 O3 S -","- C14 H21 N3 O3 S -","- C28 H42 N6 O6 S2 -","2","1","","Fedorov, A. Yu.; Rychkov, D. A.; Losev, E. A.; Zakharov, B. A.; Stare, J.; Boldyreva, E. V.","Effect of pressure on two polymorphs of tolazamide: why no interconversion?","CrystEngComm","2017","19","16","2243","","10.1039/C6CE02527G","","","0.71073","MoKα","","0.0679","0.0433","","","0.095","0.1081","","","","","","1.071","","","","has coordinates","211417","2020-10-21","18:00:00",""
"7228031","12.487","0.01","12.487","0.01","9.776","0.011","90","","90","","90","","1524","2","296","2","296","2","","","","","","","","5","P 43","P 4cw","78","","","","- C11 H14 N2 O4 Zn -","- C11 H14 N2 O4 Zn -","- C44 H56 N8 O16 Zn4 -","4","1","","Duan, Jingui; Zou, Changchang; Li, Qianqian; Cheng, Fujun; Wang, Haijun; Jin, Wanqin","Homochiral porous coordination polymers with rare utk topology and two kinds of uniform channels for enantioseparation","CrystEngComm","2017","","","","","10.1039/C7CE00522A","","","0.71073","MoKα","","0.1655","0.1094","","","0.2513","0.2786","","","","","","0.903","","","","has coordinates","195272","2020-10-21","18:00:00",""
"7228032","12.8","0.003","12.8","0.003","9.984","0.005","90","","90","","90","","1635.8","1","296","2","296","2","","","","","","","","5","P 41","P 4w","76","","","","- C11 H14 N2 O4 Zn -","- C11 H14 N2 O4 Zn -","- C44 H56 N8 O16 Zn4 -","4","1","","Duan, Jingui; Zou, Changchang; Li, Qianqian; Cheng, Fujun; Wang, Haijun; Jin, Wanqin","Homochiral porous coordination polymers with rare utk topology and two kinds of uniform channels for enantioseparation","CrystEngComm","2017","","","","","10.1039/C7CE00522A","","","0.71073","MoKα","","0.0632","0.0529","","","0.1297","0.1348","","","","","","1.005","","","","has coordinates","195272","2020-10-21","18:00:00",""
"7228033","32.49","0.005","32.49","0.005","25.78","0.005","90","","90","","90","","27213","8","293","2","296","2","","","","","","","","5","I 4","I 4","79","","DUT-129","","- C52 H60 N4 O8 Zn -","- C52 H60 N4 O8 Zn -","- C624 H720 N48 O96 Zn12 -","12","1.5","","Kutzscher, Christel; Müller, Daniel; Notzon, Andreas; Stoeck, Ulrich; Bon, Volodymyr; Senkovska, Irena; Kaskel, Stefan; Glorius, Frank","Synthesis of the homochiral metal-organic framework DUT-129 based on a chiral dicarboxylate linker with 6 stereocenters.","CrystEngComm","2017","","","","","10.1039/C7CE00410A","","x-ray","0.88561","synchrotron","","0.1579","0.0669","","","0.1498","0.1952","","","","","","0.906","","","","has coordinates","195273","2020-10-21","18:00:00",""
"7228036","7.9573","0.0008","10.3708","0.0008","14.498","0.0013","90.488","0.007","96.737","0.008","100.862","0.007","1166.3","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H18 Cd N2 O8 -","- C27 H18 Cd N2 O8 -","- C54 H36 Cd2 N4 O16 -","2","1","","Gu, Jinzhong; Kirillov, Alexander M.; Liang, Xiaoxiao; Cui, Yanhui; Wu, Jiang; Shi, Zi-Fa","Introducing 2-(2-carboxyphenoxy)terephthalic acid as a new versatile building block for design of diverse coordination polymers: Synthesis, structural features, luminescence sensing, and magnetism","CrystEngComm","2017","","","","","10.1039/C7CE00219J","","","0.71073","MoKα","","0.0615","0.0425","","","0.0691","0.0799","","","","","","1.056","","","","has coordinates","195324","2020-10-21","18:00:00",""
"7228037","21.8374","0.0009","10.3384","0.0005","24.6652","0.0012","90","","95.758","0.004","90","","5540.4","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C66 H42 Mn3 N6 O16 -","- C66 H42 Mn3 N6 O16 -","- C264 H168 Mn12 N24 O64 -","4","0.5","","Gu, Jinzhong; Kirillov, Alexander M.; Liang, Xiaoxiao; Cui, Yanhui; Wu, Jiang; Shi, Zi-Fa","Introducing 2-(2-carboxyphenoxy)terephthalic acid as a new versatile building block for design of diverse coordination polymers: Synthesis, structural features, luminescence sensing, and magnetism","CrystEngComm","2017","","","","","10.1039/C7CE00219J","","","0.71073","MoKα","","0.0858","0.0517","","","0.0839","0.1017","","","","","","1.05","","","","has coordinates","195324","2020-10-21","18:00:00",""
"7228038","10.3948","0.001","7.9986","0.0006","28.3241","0.0017","90","","93.65","0.007","90","","2350.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H18 Mn N2 O8 -","- C27 H18 Mn N2 O8 -","- C108 H72 Mn4 N8 O32 -","4","1","","Gu, Jinzhong; Kirillov, Alexander M.; Liang, Xiaoxiao; Cui, Yanhui; Wu, Jiang; Shi, Zi-Fa","Introducing 2-(2-carboxyphenoxy)terephthalic acid as a new versatile building block for design of diverse coordination polymers: Synthesis, structural features, luminescence sensing, and magnetism","CrystEngComm","2017","","","","","10.1039/C7CE00219J","","","0.71073","MoKα","","0.0588","0.041","","","0.0838","0.0932","","","","","","1.011","","","","has coordinates","195324","2020-10-21","18:00:00",""
"7228039","9.9405","0.0004","17.5969","0.0007","19.2671","0.0007","90","","95.778","0.004","90","","3353.1","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H23 Cd2 Cl N4 O7 -","- C39 H23 Cd2 Cl N4 O7 -","- C156 H92 Cd8 Cl4 N16 O28 -","4","1","","Gu, Jinzhong; Kirillov, Alexander M.; Liang, Xiaoxiao; Cui, Yanhui; Wu, Jiang; Shi, Zi-Fa","Introducing 2-(2-carboxyphenoxy)terephthalic acid as a new versatile building block for design of diverse coordination polymers: Synthesis, structural features, luminescence sensing, and magnetism","CrystEngComm","2017","","","","","10.1039/C7CE00219J","","","0.71073","MoKα","","0.0835","0.0474","","","0.0819","0.1061","","","","","","1.015","","","","has coordinates","195324","2020-10-21","18:00:00",""
"7228040","14.9155","0.0011","20.1133","0.0009","14.3821","0.0007","90","","105.87","0.006","90","","4150.2","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H24 Cd3 N2 O14 -","- C40 H24 Cd3 N2 O14 -","- C160 H96 Cd12 N8 O56 -","4","0.5","","Gu, Jinzhong; Kirillov, Alexander M.; Liang, Xiaoxiao; Cui, Yanhui; Wu, Jiang; Shi, Zi-Fa","Introducing 2-(2-carboxyphenoxy)terephthalic acid as a new versatile building block for design of diverse coordination polymers: Synthesis, structural features, luminescence sensing, and magnetism","CrystEngComm","2017","","","","","10.1039/C7CE00219J","","","0.71073","MoKα","","0.0436","0.0319","","","0.0563","0.0613","","","","","","0.99","","","","has coordinates","195324","2020-10-21","18:00:00",""
"7228041","11.6055","0.0005","14.9903","0.0004","13.1804","0.0009","90","","114.102","0.007","90","","2093.1","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H26 Cd3 N8 O14 -","- C42 H26 Cd3 N8 O14 -","- C84 H52 Cd6 N16 O28 -","2","0.5","","Gu, Jinzhong; Kirillov, Alexander M.; Liang, Xiaoxiao; Cui, Yanhui; Wu, Jiang; Shi, Zi-Fa","Introducing 2-(2-carboxyphenoxy)terephthalic acid as a new versatile building block for design of diverse coordination polymers: Synthesis, structural features, luminescence sensing, and magnetism","CrystEngComm","2017","","","","","10.1039/C7CE00219J","","","0.71073","MoKα","","0.0552","0.0358","","","0.0662","0.0776","","","","","","1.025","","","","has coordinates","195324","2020-10-21","18:00:00",""
"7228042","12.1882","0.0005","15.0139","0.0004","13.241","0.0006","90","","114.569","0.005","90","","2203.63","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H30 Mn3 N4 O14 -","- C50 H30 Mn3 N4 O14 -","- C100 H60 Mn6 N8 O28 -","2","0.5","","Gu, Jinzhong; Kirillov, Alexander M.; Liang, Xiaoxiao; Cui, Yanhui; Wu, Jiang; Shi, Zi-Fa","Introducing 2-(2-carboxyphenoxy)terephthalic acid as a new versatile building block for design of diverse coordination polymers: Synthesis, structural features, luminescence sensing, and magnetism","CrystEngComm","2017","","","","","10.1039/C7CE00219J","","","0.71073","MoKα","","0.0585","0.0399","","","0.0715","0.0821","","","","","","1.069","","","","has coordinates","195324","2020-10-21","18:00:00",""
"7228043","17.3969","0.001","22.9035","0.0012","14.6548","0.0009","90","","99.242","0.005","90","","5763.4","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C66 H46 N6 O17 Zn3 -","- C66 H46 N6 O17 Zn3 -","- C264 H184 N24 O68 Zn12 -","4","0.5","","Gu, Jinzhong; Kirillov, Alexander M.; Liang, Xiaoxiao; Cui, Yanhui; Wu, Jiang; Shi, Zi-Fa","Introducing 2-(2-carboxyphenoxy)terephthalic acid as a new versatile building block for design of diverse coordination polymers: Synthesis, structural features, luminescence sensing, and magnetism","CrystEngComm","2017","","","","","10.1039/C7CE00219J","","","0.71073","MoKα","","0.1167","0.0638","","","0.1092","0.139","","","","","","1.011","","","","has coordinates","195324","2020-10-21","18:00:00",""
"7228044","22.5877","0.0005","10.2617","0.0002","24.0631","0.0005","90","","95.087","0.002","90","","5555.6","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C66 H42 Cd3 N6 O16 -","- C66 H42 Cd3 N6 O16 -","- C264 H168 Cd12 N24 O64 -","4","0.5","","Gu, Jinzhong; Kirillov, Alexander M.; Liang, Xiaoxiao; Cui, Yanhui; Wu, Jiang; Shi, Zi-Fa","Introducing 2-(2-carboxyphenoxy)terephthalic acid as a new versatile building block for design of diverse coordination polymers: Synthesis, structural features, luminescence sensing, and magnetism","CrystEngComm","2017","","","","","10.1039/C7CE00219J","","","0.71073","MoKα","","0.0482","0.033","","","0.0571","0.0655","","","","","","1.04","","","","has coordinates","195324","2020-10-21","18:00:00",""
"7228045","9.581","0.0003","41.4136","0.0015","9.8344","0.0004","90","","98.146","0.004","90","","3862.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C81 H58 N9 Ni3 O17 -","- C81 H58 N9 Ni3 O17 -","- C162 H116 N18 Ni6 O34 -","2","0.5","","Gu, Jinzhong; Kirillov, Alexander M.; Liang, Xiaoxiao; Cui, Yanhui; Wu, Jiang; Shi, Zi-Fa","Introducing 2-(2-carboxyphenoxy)terephthalic acid as a new versatile building block for design of diverse coordination polymers: Synthesis, structural features, luminescence sensing, and magnetism","CrystEngComm","2017","","","","","10.1039/C7CE00219J","","","0.71073","MoKα","","0.0816","0.0556","","","0.1345","0.1537","","","","","","1.039","","","","has coordinates","195324","2020-10-21","18:00:00",""
"7228046","18.7994","0.0007","13.0415","0.0008","16.9882","0.001","90","","93.823","0.005","90","","4155.8","0.4","293","2","293","2","","","","","","","","5","I 2/c 1 1","-I 2yc","15","","","","- C21 H12 N4 O7 Zn2 -","- C21 H12 N4 O7 Zn2 -","- C168 H96 N32 O56 Zn16 -","8","1","","Gu, Jinzhong; Kirillov, Alexander M.; Liang, Xiaoxiao; Cui, Yanhui; Wu, Jiang; Shi, Zi-Fa","Introducing 2-(2-carboxyphenoxy)terephthalic acid as a new versatile building block for design of diverse coordination polymers: Synthesis, structural features, luminescence sensing, and magnetism","CrystEngComm","2017","","","","","10.1039/C7CE00219J","","","0.71073","MoKα","","0.0795","0.0502","","","0.114","0.1311","","","","","","1.015","","","","has coordinates","195324","2020-10-21","18:00:00",""
"7228047","10.8678","0.0006","14.2781","0.0009","14.568","0.0006","109.047","0.005","103.976","0.004","90.04","0.005","2065.7","0.2","294.2","0.3","294.2","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C30 H25 Cd3 Cl O19 -","- C30 H25 Cd3 Cl O19 -","- C60 H50 Cd6 Cl2 O38 -","2","1","","Gu, Jinzhong; Kirillov, Alexander M.; Liang, Xiaoxiao; Cui, Yanhui; Wu, Jiang; Shi, Zi-Fa","Introducing 2-(2-carboxyphenoxy)terephthalic acid as a new versatile building block for design of diverse coordination polymers: Synthesis, structural features, luminescence sensing, and magnetism","CrystEngComm","2017","","","","","10.1039/C7CE00219J","","x-ray","0.71073","MoKα","","0.0839","0.0731","","","0.1765","0.1812","","","","","","1.14","","","","has coordinates","195324","2020-10-21","18:00:00",""
"7228048","11.6968","0.0004","16.3288","0.0003","13.0831","0.0005","90","","115.442","0.004","90","","2256.47","0.14","292.8","0.1","292.8","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H34 Cd3 N4 O16 -","- C54 H34 Cd3 N4 O16 -","- C108 H68 Cd6 N8 O32 -","2","0.5","","Gu, Jinzhong; Kirillov, Alexander M.; Liang, Xiaoxiao; Cui, Yanhui; Wu, Jiang; Shi, Zi-Fa","Introducing 2-(2-carboxyphenoxy)terephthalic acid as a new versatile building block for design of diverse coordination polymers: Synthesis, structural features, luminescence sensing, and magnetism","CrystEngComm","2017","","","","","10.1039/C7CE00219J","","x-ray","0.71073","MoKα","","0.0461","0.0356","","","0.0721","0.0806","","","","","","0.997","","","","has coordinates","195324","2020-10-21","18:00:00",""
"7228053","8.5054","0.0002","10.2435","0.0002","10.9144","0.0003","63.35","0.002","71.042","0.002","82.5615","0.0019","803.65","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 N O8 Yb -","- C15 H15 N O8 Yb -","- C30 H30 N2 O16 Yb2 -","2","1","","Breeze, Matthew I.; Chamberlain, Thomas W.; Clarkson, Guy J.; de Camargo, Raíssa Pires; Wu, Yue; de Lima, Juliana Fonseca; Millange, Franck; Serra, Osvaldo A.; O'Hare, Dermot; Walton, Richard I.","Structural variety in ytterbium dicarboxylate frameworks and in situ study diffraction of their solvothermal crystallisation","CrystEngComm","2017","19","17","2424","","10.1039/C7CE00481H","","","0.71073","MoKα","","0.0168","0.0162","","","0.0362","0.0365","","","","","","1.067","","","","has coordinates","196373","2020-10-21","18:00:00",""
"7228054","10.56825","0.00017","12.66272","0.00019","6.6229","0.00013","90","","95.2274","0.0017","90","","882.61","0.03","296","3","296","3","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H5 O6 Yb -","- C9 H5 O6 Yb -","- C36 H20 O24 Yb4 -","4","1","","Breeze, Matthew I.; Chamberlain, Thomas W.; Clarkson, Guy J.; de Camargo, Raíssa Pires; Wu, Yue; de Lima, Juliana Fonseca; Millange, Franck; Serra, Osvaldo A.; O'Hare, Dermot; Walton, Richard I.","Structural variety in ytterbium dicarboxylate frameworks and in situ study diffraction of their solvothermal crystallisation","CrystEngComm","2017","19","17","2424","","10.1039/C7CE00481H","","x-ray","1.54184","CuKα","","0.0627","0.0561","","","0.1522","0.1554","","","","","","1.066","","","","has coordinates","196373","2020-10-21","18:00:00",""
"7228055","18.295","0.0004","10.8482","0.0002","17.3984","0.0004","90","","101.395","0.002","90","","3384.96","0.13","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H14 N O7.5 Yb -","- C15 H14 N O7.5 Yb -","- C120 H112 N8 O60 Yb8 -","8","1","","Breeze, Matthew I.; Chamberlain, Thomas W.; Clarkson, Guy J.; de Camargo, Raíssa Pires; Wu, Yue; de Lima, Juliana Fonseca; Millange, Franck; Serra, Osvaldo A.; O'Hare, Dermot; Walton, Richard I.","Structural variety in ytterbium dicarboxylate frameworks and in situ study diffraction of their solvothermal crystallisation","CrystEngComm","2017","19","17","2424","","10.1039/C7CE00481H","","x-ray","0.71073","MoKα","","0.0478","0.0358","","","0.1042","0.1155","","","","","","1.03","","","","has coordinates","196373","2020-10-21","18:00:00",""
"7228056","8.4515","0.0002","12.3972","0.0004","12.568","0.0003","110.453","0.002","102.132","0.002","109.619","0.003","1079.2","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H20 N O9 Yb -","- C21 H20 N O9 Yb -","- C42 H40 N2 O18 Yb2 -","2","1","","Breeze, Matthew I.; Chamberlain, Thomas W.; Clarkson, Guy J.; de Camargo, Raíssa Pires; Wu, Yue; de Lima, Juliana Fonseca; Millange, Franck; Serra, Osvaldo A.; O'Hare, Dermot; Walton, Richard I.","Structural variety in ytterbium dicarboxylate frameworks and in situ study diffraction of their solvothermal crystallisation","CrystEngComm","2017","19","17","2424","","10.1039/C7CE00481H","","x-ray","0.71073","MoKα","","0.0452","0.0403","","","0.1032","0.1065","","","","","","1.041","","","","has coordinates,has disorder","196373","2020-10-21","18:00:00",""
"7228059","6.9551","0.0008","10.549","0.0011","11.4502","0.0012","109.409","0.004","99.928","0.004","98.943","0.004","759.75","0.15","299","2","299","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H32 Cu Dy2 O24 -","- C20 H32 Cu Dy2 O24 -","- C20 H32 Cu Dy2 O24 -","1","0.5","","Li, Zhongyi; Zhang, Chi; Zhai, Bin; Han, Jing-Cheng; Pei, Meng-Chun; Zhang, Jian-Jun; Zhang, Fuli; Li, Suzhi; Cao, Guangxiu","Linking heterometallic Cu-Ln chain unit with 2-methylenesuccinate bridge to form 2D network exhibiting large magnetocaloric effect","CrystEngComm","2017","","","","","10.1039/C7CE00356K","","","0.71073","MoKα","","0.023","0.0211","","","0.0555","0.0566","","","","","","1.048","","","","has coordinates","195397","2020-10-21","18:00:00",""
"7228060","7.0117","0.0005","10.8073","0.0009","11.6598","0.0009","108.747","0.002","100.358","0.002","99.018","0.002","800.92","0.11","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H32 Cu La2 O24 -","- C20 H28 Cu La2 O24 -","- C20 H28 Cu La2 O24 -","1","0.5","","Li, Zhongyi; Zhang, Chi; Zhai, Bin; Han, Jing-Cheng; Pei, Meng-Chun; Zhang, Jian-Jun; Zhang, Fuli; Li, Suzhi; Cao, Guangxiu","Linking heterometallic Cu-Ln chain unit with 2-methylenesuccinate bridge to form 2D network exhibiting large magnetocaloric effect","CrystEngComm","2017","","","","","10.1039/C7CE00356K","","","0.71073","MoKα","","0.0204","0.0188","","","0.0513","0.0526","","","","","","1.041","","","","has coordinates,has disorder","195397","2020-10-21","18:00:00",""
"7228061","6.9675","0.0008","10.6078","0.0012","11.4879","0.0013","109.198","0.003","100.025","0.003","98.983","0.003","768.54","0.15","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H32 Cu Gd2 O24 -","- C20 H32 Cu Gd2 O24 -","- C20 H32 Cu Gd2 O24 -","1","0.5","","Li, Zhongyi; Zhang, Chi; Zhai, Bin; Han, Jing-Cheng; Pei, Meng-Chun; Zhang, Jian-Jun; Zhang, Fuli; Li, Suzhi; Cao, Guangxiu","Linking heterometallic Cu-Ln chain unit with 2-methylenesuccinate bridge to form 2D network exhibiting large magnetocaloric effect","CrystEngComm","2017","","","","","10.1039/C7CE00356K","","","0.71073","MoKα","","0.0234","0.0228","","","0.0618","0.0622","","","","","","1.062","","","","has coordinates","195397","2020-10-21","18:00:00",""
"7228062","6.963","0.0004","10.5852","0.0005","11.4644","0.0006","109.296","0.002","99.958","0.002","98.927","0.002","764.74","0.07","299","2","299","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H32 Cu O24 Tb2 -","- C20 H32 Cu O24 Tb2 -","- C20 H32 Cu O24 Tb2 -","1","0.5","","Li, Zhongyi; Zhang, Chi; Zhai, Bin; Han, Jing-Cheng; Pei, Meng-Chun; Zhang, Jian-Jun; Zhang, Fuli; Li, Suzhi; Cao, Guangxiu","Linking heterometallic Cu-Ln chain unit with 2-methylenesuccinate bridge to form 2D network exhibiting large magnetocaloric effect","CrystEngComm","2017","","","","","10.1039/C7CE00356K","","","0.71073","MoKα","","0.0238","0.0229","","","0.0616","0.0622","","","","","","1.05","","","","has coordinates","195397","2020-10-21","18:00:00",""
"7228063","11.86816","0.00016","11.86816","0.00016","11.6198","0.0002","90","","90","","90","","1636.69","0.04","150","","150","","","","","","","","synthesized","5","P 4/n :2","-P 4a","85","","","","- C31 H32 Cl2 N8 O4 -","- C31 H32 Cl2 N8 O4 -","- C62 H64 Cl4 N16 O8 -","2","0.25","","Morshedi, Mahbod; White, Nicholas G.","Mixed halide/oxoanion-templated frameworks","CrystEngComm","2017","19","17","2367","","10.1039/C7CE00265C","","","1.54184","CuKα","","0.0713","0.0706","","0.194","0.194","0.194","","","","","","1.0673","","","","has coordinates","196377","2020-10-21","18:00:00",""
"7228064","11.6729","0.0015","11.8954","0.0009","26.963","0.002","101.982","0.007","91.167","0.008","90.664","0.008","3661.1","0.6","150","","150","","","","","","","","synthesized","4","P -1","-P 1","2","","","","- C30.5 H39 N12 O14 -","- C30.5 H39 N12 O14 -","- C122 H156 N48 O56 -","4","2","","Morshedi, Mahbod; White, Nicholas G.","Mixed halide/oxoanion-templated frameworks","CrystEngComm","2017","19","17","2367","","10.1039/C7CE00265C","","","1.54184","CuKα","","0.1618","0.1386","","0.3474","0.3309","0.3474","","","","","","0.9703","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7228065","12.07173","0.00018","12.07173","0.00018","11.3545","0.0003","90","","90","","90","","1654.65","0.06","150","","150","","","","","","","","synthesized","5","P 4/n :2","-P 4a","85","","","","- C31 H32 Br2 N8 O4 -","- C31 H32 Br2 N8 O4 -","- C62 H64 Br4 N16 O8 -","2","0.25","","Morshedi, Mahbod; White, Nicholas G.","Mixed halide/oxoanion-templated frameworks","CrystEngComm","2017","19","17","2367","","10.1039/C7CE00265C","","","1.54184","CuKα","","0.0754","0.0735","","0.188","0.1877","0.188","","","","","","1.0299","","","","has coordinates","196377","2020-10-21","18:00:00",""
"7228066","13.3818","0.0003","7.1209","0.0001","21.9744","0.0004","90","","95.8782","0.0019","90","","2082.94","0.07","150","","150","","","","","","","","synthesized","4","P 1 2/n 1","-P 2yac","13","","","","- C29 H32 Br4 N8 -","- C29 H32 Br4 N8 -","- C58 H64 Br8 N16 -","2","0.5","","Morshedi, Mahbod; White, Nicholas G.","Mixed halide/oxoanion-templated frameworks","CrystEngComm","2017","19","17","2367","","10.1039/C7CE00265C","","","1.54184","CuKα","","0.0417","0.0386","","0.1014","0.0974","0.1014","","","","","","0.9495","","","","has coordinates","196377","2020-10-21","18:00:00",""
"7228067","11.7352","0.0002","11.7352","0.0002","25.3812","0.0013","90","","90","","90","","3495.4","0.2","150","","150","","","","","","","","synthesized","4","P 4/n c c :2","-P 4a 2ac","130","","","","- C29 H32 Cl4 N8 -","- C29 H32 Cl4 N8 -","- C116 H128 Cl16 N32 -","4","0.25","","Morshedi, Mahbod; White, Nicholas G.","Mixed halide/oxoanion-templated frameworks","CrystEngComm","2017","19","17","2367","","10.1039/C7CE00265C","","","1.54184","CuKα","","0.1458","0.144","","0.2419","0.2413","0.2419","","","","","","1.0381","","","","has coordinates","196377","2020-10-21","18:00:00",""
"7228068","18.8984","0.0018","17.7031","0.0018","14.4754","0.0014","90","","96.602","0.002","90","","4810.8","0.8","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H15 N6 O11 Zn2 -","- C26 H10 N6 O11 Zn2 -","- C104 H40 N24 O44 Zn8 -","4","1","","Dai, Yue; Zhou, Huajun; Song, Xuedan; Zhang, Jian-Jun; Hao, Ce; Di, Ling; Wang, Yu-Xian; Ni, Jun; Wang, Hui-Long","Two (5, 5)-connected isomeric frameworks as highly selective and sensitive photoluminescent probes of nitroaromatics","CrystEngComm","2017","","","","","10.1039/C7CE00236J","","","0.71073","MoKα","","0.0452","0.038","","","0.0927","0.0954","","","","","","1.003","","","","has coordinates","195399","2020-10-21","18:00:00",""
"7228069","31.855","0.011","17.268","0.003","30.293","0.014","90","","116.25","0.03","90","","14945","10","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H15 N6 O11 Zn2 -","- C26 H13 N6 O11 Zn2 -","- C208 H104 N48 O88 Zn16 -","8","1","","Dai, Yue; Zhou, Huajun; Song, Xuedan; Zhang, Jian-Jun; Hao, Ce; Di, Ling; Wang, Yu-Xian; Ni, Jun; Wang, Hui-Long","Two (5, 5)-connected isomeric frameworks as highly selective and sensitive photoluminescent probes of nitroaromatics","CrystEngComm","2017","","","","","10.1039/C7CE00236J","","","0.8","synchrotron","","0.1365","0.1079","","","0.3065","0.3357","","","","","","0.982","","","","has coordinates","195399","2020-10-21","18:00:00",""
"7228070","10.449","0.002","10.526","0.002","10.759","0.002","78.55","0.002","75.968","0.002","72.67","0.002","1085.7","0.4","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H30 As2 Cu Mo6 N8 O30 -","- C24 H30 As2 Cu Mo6 N8 O30 -","- C24 H30 As2 Cu Mo6 N8 O30 -","1","0.5","","Cong, Bowen; Su, Zhanhua; Zhao, Zhifeng; yu, baoyi; Zhao, Wenqi; Xia, Lin; ma, xiujuan; Zhou, Baibin","Assembly of Six [HxAs2Mo6O26](6-x)- Clusters-Based Hybrid Materials from 1D Chain to 3D Framework with Multiple Cu-N Complexes","CrystEngComm","2017","","","","","10.1039/C7CE00319F","","","0.71073","MoKα","","0.0411","0.0393","","","0.1003","0.102","","","","","","1.117","","","","has coordinates","195438","2020-10-21","18:00:00",""
"7228071","10.253","0.002","10.694","0.003","11.38","0.003","85.068","0.002","88.477","0.002","67.518","0.002","1148.6","0.5","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C15 H14 As Cu Mo3 N3 O15 -","- C15 H14 As Cu Mo3 N3 O15 -","- C30 H28 As2 Cu2 Mo6 N6 O30 -","2","1","","Cong, Bowen; Su, Zhanhua; Zhao, Zhifeng; yu, baoyi; Zhao, Wenqi; Xia, Lin; ma, xiujuan; Zhou, Baibin","Assembly of Six [HxAs2Mo6O26](6-x)- Clusters-Based Hybrid Materials from 1D Chain to 3D Framework with Multiple Cu-N Complexes","CrystEngComm","2017","","","","","10.1039/C7CE00319F","","","0.71073","MoKα","","0.0533","0.052","","","0.1594","0.1602","","","","","","1.085","","","","has coordinates","195438","2020-10-21","18:00:00",""
"7228072","12.5599","0.0015","12.7481","0.0015","13.367","0.0016","99.749","0.001","105.537","0.001","111.878","0.001","1824.8","0.4","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C40 H66 As2 Cu2 Mo6 N24 O27 -","- C40 H64 As2 Cu2 Mo6 N24 O27 -","- C40 H64 As2 Cu2 Mo6 N24 O27 -","1","0.5","","Cong, Bowen; Su, Zhanhua; Zhao, Zhifeng; yu, baoyi; Zhao, Wenqi; Xia, Lin; ma, xiujuan; Zhou, Baibin","Assembly of Six [HxAs2Mo6O26](6-x)- Clusters-Based Hybrid Materials from 1D Chain to 3D Framework with Multiple Cu-N Complexes","CrystEngComm","2017","","","","","10.1039/C7CE00319F","","","0.71073","MoKα","","0.0423","0.0385","","","0.1044","0.1075","","","","","","1.069","","","","has coordinates","195438","2020-10-21","18:00:00",""
"7228073","10.8652","0.0005","11.969","0.0006","13.1751","0.0006","115.495","0.001","100.719","0.001","99.261","0.001","1462.36","0.12","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C42 H46 As2 Cu Mo6 N12 O28 -","- C42 H46 As2 Cu Mo6 N12 O28 -","- C42 H46 As2 Cu Mo6 N12 O28 -","1","0.5","","Cong, Bowen; Su, Zhanhua; Zhao, Zhifeng; yu, baoyi; Zhao, Wenqi; Xia, Lin; ma, xiujuan; Zhou, Baibin","Assembly of Six [HxAs2Mo6O26](6-x)- Clusters-Based Hybrid Materials from 1D Chain to 3D Framework with Multiple Cu-N Complexes","CrystEngComm","2017","","","","","10.1039/C7CE00319F","","","0.71073","MoKα","","0.0333","0.0313","","","0.0766","0.0775","","","","","","1.196","","","","has coordinates,has disorder","195438","2020-10-21","18:00:00",""
"7228074","8.8989","0.001","16.3552","0.0019","24.297","0.003","90","","94.832","0.001","90","","3523.7","0.7","296","2","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H25 As Cu Mo3 N6 O15 -","- C30 H25 As Cu Mo3 N6 O15 -","- C120 H100 As4 Cu4 Mo12 N24 O60 -","4","1","","Cong, Bowen; Su, Zhanhua; Zhao, Zhifeng; yu, baoyi; Zhao, Wenqi; Xia, Lin; ma, xiujuan; Zhou, Baibin","Assembly of Six [HxAs2Mo6O26](6-x)- Clusters-Based Hybrid Materials from 1D Chain to 3D Framework with Multiple Cu-N Complexes","CrystEngComm","2017","","","","","10.1039/C7CE00319F","","","0.71073","MoKα","","0.0499","0.0391","","","0.0867","0.0946","","","","","","1.044","","","","has coordinates","195438","2020-10-21","18:00:00",""
"7228075","11.0544","0.0009","11.9897","0.001","12.6353","0.001","109.081","0.001","103.561","0.001","109.228","0.001","1380.2","0.2","296","2","296.15","","","","","","","","","8","P -1","-P 1","2","","","","- C30 H32 As2 Cl Cu3 Mo6 N20 O27 -","- C30 H32 As2 Cl Cu3 Mo6 N20 O27 -","- C30 H32 As2 Cl Cu3 Mo6 N20 O27 -","1","0.5","","Cong, Bowen; Su, Zhanhua; Zhao, Zhifeng; yu, baoyi; Zhao, Wenqi; Xia, Lin; ma, xiujuan; Zhou, Baibin","Assembly of Six [HxAs2Mo6O26](6-x)- Clusters-Based Hybrid Materials from 1D Chain to 3D Framework with Multiple Cu-N Complexes","CrystEngComm","2017","","","","","10.1039/C7CE00319F","","","0.71073","MoKα","","0.0349","0.028","","","0.0635","0.0664","","","","","","1.073","","","","has coordinates,has disorder","195438","2020-10-21","18:00:00",""
"7228076","8.401","0.0017","9.3598","0.0019","20.446","0.004","86.38","0.03","82.42","0.03","81.59","0.03","1574.9","0.6","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H30 Ag2 N4 O6 -","- C36 H30 Ag2 N4 O6 -","- C72 H60 Ag4 N8 O12 -","2","1","","Chen, Jing-Min; Hou, Yi-Xuan; Zhou, Qian-Kun; Zhang, Hao; Liu, Dong","Regiospecific [2+2] photocycloadditions of an unsymmetrical olefin in the solid state based on metal-mediated assemblies","CrystEngComm","2017","","","","","10.1039/C7CE00573C","","","0.71073","MoKα","","0.0752","0.0497","","","0.0946","0.1048","","","","","","1.087","","","","has coordinates","195439","2020-10-21","18:00:00",""
"7228077","9.2988","0.0019","10.402","0.002","10.241","0.002","90","","96.58","0.03","90","","984","0.3","223","2","223","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 N4 -","- C24 H20 N4 -","- C48 H40 N8 -","2","0.5","","Chen, Jing-Min; Hou, Yi-Xuan; Zhou, Qian-Kun; Zhang, Hao; Liu, Dong","Regiospecific [2+2] photocycloadditions of an unsymmetrical olefin in the solid state based on metal-mediated assemblies","CrystEngComm","2017","","","","","10.1039/C7CE00573C","","","0.71073","MoKα","","0.0722","0.0502","","","0.1217","0.1338","","","","","","1.032","","","","has coordinates","195439","2020-10-21","18:00:00",""
"7228078","12.112","0.002","16.437","0.003","19.547","0.004","90","","90","","90","","3891.5","1.2","223","2","223","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H20 N4 -","- C24 H20 N4 -","- C192 H160 N32 -","8","1","","Chen, Jing-Min; Hou, Yi-Xuan; Zhou, Qian-Kun; Zhang, Hao; Liu, Dong","Regiospecific [2+2] photocycloadditions of an unsymmetrical olefin in the solid state based on metal-mediated assemblies","CrystEngComm","2017","","","","","10.1039/C7CE00573C","","","0.71073","MoKα","","0.0702","0.0505","","","0.1226","0.1425","","","","","","1.034","","","","has coordinates","195439","2020-10-21","18:00:00",""
"7228079","7.3773","0.0015","5.741","0.0011","12.67","0.004","90","","115.92","0.02","90","","482.6","0.2","223","2","223","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C12 H10 N2 -","- C12 H10 N2 -","- C24 H20 N4 -","2","1","","Chen, Jing-Min; Hou, Yi-Xuan; Zhou, Qian-Kun; Zhang, Hao; Liu, Dong","Regiospecific [2+2] photocycloadditions of an unsymmetrical olefin in the solid state based on metal-mediated assemblies","CrystEngComm","2017","","","","","10.1039/C7CE00573C","","","0.71073","MoKα","","0.0598","0.0458","","","0.1115","0.1252","","","","","","1.069","","","","has coordinates","195439","2020-10-21","18:00:00",""
"7228080","13.855","0.003","11.031","0.002","14.277","0.003","90","","111.23","0.03","90","","2033.9","0.8","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H34 N4 O9 Zn2 -","- C48 H34 N4 O9 Zn2 -","- C96 H68 N8 O18 Zn4 -","2","0.5","","Chen, Jing-Min; Hou, Yi-Xuan; Zhou, Qian-Kun; Zhang, Hao; Liu, Dong","Regiospecific [2+2] photocycloadditions of an unsymmetrical olefin in the solid state based on metal-mediated assemblies","CrystEngComm","2017","","","","","10.1039/C7CE00573C","","","0.71073","MoKα","","0.0861","0.055","","","0.1101","0.1217","","","","","","1.083","","","","has coordinates,has disorder","195439","2020-10-21","18:00:00",""
"7228081","8.356","0.01","11.971","0.014","14.109","0.016","90","","103.52","0.012","90","","1372","3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- B7 Cs2 H5 O14 -","- B7 Cs2 H5 O14 -","- B28 Cs8 H20 O56 -","4","1","","Sambasivam, Sangaraju; Liu, Lili; Yang, Yun; Han, Guopeng; Bashir, Beenish; Yang, Zhihua; Pan, ShiLie","Syntheses, Crystal Structures and Characterizations of Three Alkaline Metal Borates","CrystEngComm","2017","","","","","10.1039/C7CE00450H","","","0.71073","MoKα","","0.0635","0.0374","","","0.0499","0.0548","","","","","","1.03","","","","has coordinates","195440","2020-10-21","18:00:00",""
"7228082","7.1742","0.0003","7.8472","0.0004","8.9702","0.0004","68.551","0.002","88.368","0.002","74.877","0.002","452.49","0.04","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- B4 H6 K2 O10 -","- B4 H6 K2 O10 -","- B8 H12 K4 O20 -","2","1","","Sambasivam, Sangaraju; Liu, Lili; Yang, Yun; Han, Guopeng; Bashir, Beenish; Yang, Zhihua; Pan, ShiLie","Syntheses, Crystal Structures and Characterizations of Three Alkaline Metal Borates","CrystEngComm","2017","","","","","10.1039/C7CE00450H","","","0.71073","MoKα","","0.0273","0.0256","","","0.0727","0.0743","","","","","","1.088","","","","has coordinates","195440","2020-10-21","18:00:00",""
"7228083","11.15","0.003","13.064","0.003","16.411","0.004","90","","90","","90","","2390.5","1","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- B4 H11.25 K2 O12.63 -","- B4 H11.2 K2 O12.6 -","- B32 H89.6 K16 O100.8 -","8","1","","Sambasivam, Sangaraju; Liu, Lili; Yang, Yun; Han, Guopeng; Bashir, Beenish; Yang, Zhihua; Pan, ShiLie","Syntheses, Crystal Structures and Characterizations of Three Alkaline Metal Borates","CrystEngComm","2017","","","","","10.1039/C7CE00450H","","","0.71073","MoKα","","0.0683","0.0526","","","0.1539","0.167","","","","","","1.047","","","","has coordinates","195440","2020-10-21","18:00:00",""
"7228086","17.764","0.003","17.764","0.003","17.822","0.004","90","","90","","90","","5623.9","1.8","298","2","298","2","","","","","","","","3","I 41/a m d","-I 4bd 2","141","","","","- Ge13 Ir4 Lu3 -","- Ge13 Ir4 Lu3 -","- Ge208 Ir64 Lu48 -","16","","","Oswald, Iain W.H.; Rai, Binod K.; McCandless, Gregory T.; Morosan, Emilia; Chan, Julia","The Proof is in the Powder: Revealing Structural Peculiarities in the Yb3Rh4Sn13 Structure Type","CrystEngComm","2017","","","","","10.1039/C7CE00419B","","","0.71073","MoKα","","0.0582","0.0389","","","0.0949","0.1093","","","","","","1.147","","","","has coordinates","195530","2020-10-21","18:00:00",""
"7228088","21.166","0.0011","12.4814","0.0006","19.9503","0.0011","90","","90.87","0.001","90","","5269.9","0.5","296","2","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C4 H38 Cd N12 Nb6 O47 P4 -","- C4 H24 Cd N12 Nb6 O47 P4 -","- C16 H96 Cd4 N48 Nb24 O188 P16 -","4","0.5","","Zhao, Shufang; Liang, Zhijie; Geng, Qiaohua; Ma, Pengtao; Zhang, Chao; Niu, Jingyang; Wang, Jingping","Assembly of niobium-phosphate cluster and in-situ transition-metal-containing derivatives","CrystEngComm","2017","","","","","10.1039/C7CE00603A","","","0.71073","MoKα","","0.0284","0.0265","","","0.0765","0.0777","","","","","","1.063","","","","has coordinates","195610","2020-10-21","18:00:00",""
"7228089","11.1233","0.0007","20.126","0.0012","12.3589","0.0008","90","","115.745","0.001","90","","2492.1","0.3","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H44 N18 Nb6 O40 P4 -","- C6 H36 N18 Nb6 O40 P4 -","- C12 H72 N36 Nb12 O80 P8 -","2","0.5","","Zhao, Shufang; Liang, Zhijie; Geng, Qiaohua; Ma, Pengtao; Zhang, Chao; Niu, Jingyang; Wang, Jingping","Assembly of niobium-phosphate cluster and in-situ transition-metal-containing derivatives","CrystEngComm","2017","","","","","10.1039/C7CE00603A","","","0.71073","MoKα","","0.0417","0.0401","","","0.097","0.0978","","","","","","1.206","","","","has coordinates","195610","2020-10-21","18:00:00",""
"7228090","10.6885","0.0007","20.217","0.0015","10.73","0.0007","90","","110.399","0.001","90","","2173.2","0.3","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- Cs3 H28 Nb6 Ni2 O50 P4 -","- Cs3 Nb6 Ni2 O50 P4 -","- Cs6 Nb12 Ni4 O100 P8 -","2","0.5","","Zhao, Shufang; Liang, Zhijie; Geng, Qiaohua; Ma, Pengtao; Zhang, Chao; Niu, Jingyang; Wang, Jingping","Assembly of niobium-phosphate cluster and in-situ transition-metal-containing derivatives","CrystEngComm","2017","","","","","10.1039/C7CE00603A","","","0.71073","MoKα","","0.1077","0.0902","","","0.2388","0.2651","","","","","","1.015","","","","has coordinates,has disorder","195610","2020-10-21","18:00:00",""
"7228091","10.455","0.003","20.296","0.005","10.704","0.003","90","","108.406","0.004","90","","2155.1","1","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- Co2 Cs3 H28 Nb6 O50 P4 -","- Co2 Cs3 Nb6 O50 P4 -","- Co4 Cs6 Nb12 O100 P8 -","2","0.5","","Zhao, Shufang; Liang, Zhijie; Geng, Qiaohua; Ma, Pengtao; Zhang, Chao; Niu, Jingyang; Wang, Jingping","Assembly of niobium-phosphate cluster and in-situ transition-metal-containing derivatives","CrystEngComm","2017","","","","","10.1039/C7CE00603A","","","0.71073","MoKα","","0.0738","0.0677","","","0.172","0.1781","","","","","","1.041","","","","has coordinates,has disorder","195610","2020-10-21","18:00:00",""
"7228092","10.558","0.004","20.153","0.007","10.614","0.004","90","","109.375","0.005","90","","2130.5","1.4","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- Cs3 H28 Nb6 O50 P4 Zn2 -","- Cs3 Nb6 O49.5 P4 Zn2 -","- Cs6 Nb12 O99 P8 Zn4 -","2","0.5","","Zhao, Shufang; Liang, Zhijie; Geng, Qiaohua; Ma, Pengtao; Zhang, Chao; Niu, Jingyang; Wang, Jingping","Assembly of niobium-phosphate cluster and in-situ transition-metal-containing derivatives","CrystEngComm","2017","","","","","10.1039/C7CE00603A","","","0.71073","MoKα","","0.0609","0.0558","","","0.1476","0.1528","","","","","","1.035","","","","has coordinates,has disorder","195610","2020-10-21","18:00:00",""
"7228093","10.4234","0.0004","10.975","0.0005","13.5568","0.0006","72.143","0.001","72.44","0.001","72.853","0.001","1371.94","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- Cd2 Cs3 H40 Nb6 O56 P4 -","- Cd2 Cs3 Nb6 O56 P4 -","- Cd2 Cs3 Nb6 O56 P4 -","1","0.5","","Zhao, Shufang; Liang, Zhijie; Geng, Qiaohua; Ma, Pengtao; Zhang, Chao; Niu, Jingyang; Wang, Jingping","Assembly of niobium-phosphate cluster and in-situ transition-metal-containing derivatives","CrystEngComm","2017","","","","","10.1039/C7CE00603A","","","0.71073","MoKα","","0.0516","0.0478","","","0.1264","0.1299","","","","","","1.027","","","","has coordinates,has disorder","195610","2020-10-21","18:00:00",""
"7228111","7.4417","0.0007","5.7471","0.0006","18.9993","0.0019","90","","101.045","0.005","90","","797.51","0.14","190","2","190","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Bromo 3-nitrobenzoic acid","","- C7 H4 Br N O4 -","- C7 H4 Br N O4 -","- C28 H16 Br4 N4 O16 -","4","1","","Singaraju, Aditya B.; Nguyen, Kyle; Swenson, Dale C.; Iyer, Mamta; Haware, Rahul V.; Stevens, Lewis L.","Reorganized, weak C‒H⋯O interactions directly modify the mechanical properties and compaction performance of a series of nitrobenzoic acids","CrystEngComm","2017","","","","","10.1039/C7CE00238F","","","0.71073","MoKα","","0.0183","0.0163","","","0.0378","0.0384","","","","","","1.066","","","","has coordinates,has disorder","195767","2020-10-21","18:00:00",""
"7228112","7.4313","0.0003","21.1153","0.0006","10.3853","0.0004","90","","99.921","0.001","90","","1605.23","0.1","190","2","190","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-Methyl 3-nitrobenzoic acid","","- C8 H7 N O4 -","- C8 H7 N O4 -","- C64 H56 N8 O32 -","8","2","","Singaraju, Aditya B.; Nguyen, Kyle; Swenson, Dale C.; Iyer, Mamta; Haware, Rahul V.; Stevens, Lewis L.","Reorganized, weak C‒H⋯O interactions directly modify the mechanical properties and compaction performance of a series of nitrobenzoic acids","CrystEngComm","2017","","","","","10.1039/C7CE00238F","","","0.71073","MoKα","","0.0473","0.0375","","","0.1033","0.1121","","","","","","1.061","","","","has coordinates,has disorder","195767","2020-10-21","18:00:00",""
"7228115","26.9768","0.0015","26.9768","0.0015","39.206","0.003","90","","90","","90","","28532","3","296","2","296","2","","","","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C117 H178 Cu6 N30 O50 -","- C55 H30 Cu6 N9 O30 -","- C440 H240 Cu48 N72 O240 -","8","0.5","","Liu, Zhen; Lv, Lingzhi; He, Yabing; Feng, YunLong","An Anionic Metal-Organic Framework Constructed from a Triazole-Functionalized Diisophthalate Featuring Hierarchical Cages for Selective Adsorptive C2H2/CH4 and CO2/CH4 Separation","CrystEngComm","2017","","","","","10.1039/C7CE00661F","","","0.71073","MoKα","","0.1119","0.0576","","","0.1436","0.1583","","","","","","1.083","","","","has coordinates","195796","2020-10-21","18:00:00",""
"7228121","15.1394","0.0005","29.9418","0.0009","26.9456","0.0006","90","","97.628","0.002","90","","12106.4","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Cl2 N4 O3 -","- C20 H18 Cl2 N4 O3 -","- C480 H432 Cl48 N96 O72 -","24","6","","Mapp, Lucy K.; Coles, Simon; Aitipamula, Srinivasulu","Novel solid forms of lonidamine: crystal structures and physicochemical properties","CrystEngComm","2017","","","","","10.1039/C7CE00651A","","x-ray","0.71073","MoKα","","0.0876","0.0628","","","0.1575","0.1737","","","","","","1.031","","","","has coordinates,has disorder","195837","2020-10-21","18:00:00",""
"7228122","11.6186","0.0005","12.339","0.0008","12.5559","0.0007","68.926","0.006","85.447","0.004","88.975","0.004","1674.24","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H30 Cl4 N6 O4 -","- C34 H30 Cl4 N6 O4 -","- C68 H60 Cl8 N12 O8 -","2","1","","Mapp, Lucy K.; Coles, Simon; Aitipamula, Srinivasulu","Novel solid forms of lonidamine: crystal structures and physicochemical properties","CrystEngComm","2017","","","","","10.1039/C7CE00651A","","x-ray","0.71073","MoKα","","0.0622","0.0511","","","0.1539","0.1581","","","","","","1.047","","","","has coordinates","195837","2020-10-21","18:00:00",""
"7228123","11.1266","0.0005","22.3945","0.001","8.5821","0.0005","90","","106.718","0.006","90","","2048.05","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Cl2 N4 O2 -","- C20 H16 Cl2 N4 O2 -","- C80 H64 Cl8 N16 O8 -","4","1","","Mapp, Lucy K.; Coles, Simon; Aitipamula, Srinivasulu","Novel solid forms of lonidamine: crystal structures and physicochemical properties","CrystEngComm","2017","","","","","10.1039/C7CE00651A","","x-ray","0.71073","MoKα","","0.0692","0.0499","","","0.1045","0.1105","","","","","","1.033","","","","has coordinates","195837","2020-10-21","18:00:00",""
"7228124","20.6918","0.0006","4.61421","0.00012","20.1099","0.0005","90","","90.673","0.002","90","","1919.89","0.09","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 Cl2 N4 O3 -","- C21 H16 Cl2 N4 O3 -","- C84 H64 Cl8 N16 O12 -","4","1","","Mapp, Lucy K.; Coles, Simon; Aitipamula, Srinivasulu","Novel solid forms of lonidamine: crystal structures and physicochemical properties","CrystEngComm","2017","","","","","10.1039/C7CE00651A","","x-ray","0.71073","MoKα","K-L~3~","0.0578","0.0532","","","0.1516","0.1569","","","","","","1.069","","","","has coordinates","204140","2020-10-21","18:00:00",""
"7228125","14.1417","0.0006","21.6532","0.0008","7.6525","0.0003","90","","102.654","0.004","90","","2286.38","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","L3-79-B","","- C23 H20 Cl2 N8 O2 -","- C23 H20 Cl2 N8 O2 -","- C92 H80 Cl8 N32 O8 -","4","1","","Mapp, Lucy K.; Coles, Simon; Aitipamula, Srinivasulu","Novel solid forms of lonidamine: crystal structures and physicochemical properties","CrystEngComm","2017","","","","","10.1039/C7CE00651A","","x-ray","0.71073","MoKα","","0.0815","0.0582","","","0.1054","0.113","","","","","","1.138","","","","has coordinates","195837","2020-10-21","18:00:00",""
"7228126","10.3787","0.0007","11.8719","0.0009","14.0409","0.0008","105.139","0.006","91.651","0.005","91.906","0.006","1667.8","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H24 Cl4 N6 O4 -","- C33 H24 Cl4 N6 O4 -","- C66 H48 Cl8 N12 O8 -","2","1","","Mapp, Lucy K.; Coles, Simon; Aitipamula, Srinivasulu","Novel solid forms of lonidamine: crystal structures and physicochemical properties","CrystEngComm","2017","","","","","10.1039/C7CE00651A","","x-ray","0.71073","MoKα","","0.083","0.0717","","","0.2024","0.2092","","","","","","1.076","","","","has coordinates","195837","2020-10-21","18:00:00",""
"7228127","19.3743","0.001","4.7313","0.0002","14.677","0.0007","90","","91.886","0.004","90","","1344.65","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 Cl2 N2 O2 -","- C15 H10 Cl2 N2 O2 -","- C60 H40 Cl8 N8 O8 -","4","1","","Mapp, Lucy K.; Coles, Simon; Aitipamula, Srinivasulu","Novel solid forms of lonidamine: crystal structures and physicochemical properties","CrystEngComm","2017","","","","","10.1039/C7CE00651A","","x-ray","0.71073","MoKα","","0.0842","0.06","","","0.1318","0.1439","","","","","","1.11","","","","has coordinates","195837","2020-10-21","18:00:00",""
"7228128","32.6725","0.0011","26.2388","0.0013","8.6827","0.0003","90","","93.879","0.003","90","","7426.5","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H28 Cl4 N6 O4 -","- C40 H28 Cl4 N6 O4 -","- C320 H224 Cl32 N48 O32 -","8","2","","Mapp, Lucy K.; Coles, Simon; Aitipamula, Srinivasulu","Novel solid forms of lonidamine: crystal structures and physicochemical properties","CrystEngComm","2017","","","","","10.1039/C7CE00651A","","x-ray","0.71073","MoKα","","0.1561","0.0758","","","0.1516","0.174","","","","","","0.975","","","","has coordinates,has disorder","195837","2020-10-21","18:00:00",""
"7228129","16.8612","0.0005","10.8847","0.0003","39.3807","0.0011","90","","101.781","0.003","90","","7075.3","0.4","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C36 H39 Cl3 F N3 O7 -","- C36 H39 Cl3 F N3 O7 -","- C288 H312 Cl24 F8 N24 O56 -","8","1","","Mapp, Lucy K.; Coles, Simon; Aitipamula, Srinivasulu","Novel solid forms of lonidamine: crystal structures and physicochemical properties","CrystEngComm","2017","","","","","10.1039/C7CE00651A","","x-ray","0.71073","MoKα","","0.0634","0.0478","","","0.1043","0.1109","","","","","","1.024","","","","has coordinates,has disorder","195837","2020-10-21","18:00:00",""
"7228130","10.9724","0.0003","13.1874","0.0003","8.8415","0.0003","90","","109.768","0.003","90","","1203.95","0.06","100","0.2","100","0.2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C24 H24 Cl2 N4 O4 -","- C24 H24 Cl2 N4 O4 -","- C48 H48 Cl4 N8 O8 -","2","1","","Mapp, Lucy K.; Coles, Simon; Aitipamula, Srinivasulu","Novel solid forms of lonidamine: crystal structures and physicochemical properties","CrystEngComm","2017","","","","","10.1039/C7CE00651A","","x-ray","0.71073","MoKα","","0.0335","0.0322","","","0.082","0.083","","","","","","1.052","","","","has coordinates","195837","2020-10-21","18:00:00",""
"7228131","10.0605","0.0005","11.0252","0.0006","16.3298","0.001","88.224","0.004","76.212","0.005","84.969","0.004","1752.22","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H28 Cl4 N8 O4 -","- C36 H28 Cl4 N8 O4 -","- C72 H56 Cl8 N16 O8 -","2","1","","Mapp, Lucy K.; Coles, Simon; Aitipamula, Srinivasulu","Novel solid forms of lonidamine: crystal structures and physicochemical properties","CrystEngComm","2017","","","","","10.1039/C7CE00651A","","x-ray","0.71073","MoKα","K-L~3~","0.0833","0.0553","","","0.1378","0.1521","","","","","","1.042","","","","has coordinates,has disorder","204140","2020-10-21","18:00:00",""
"7228132","18.3534","0.0008","10.1","0.0003","11.0376","0.0004","90","","99.146","0.004","90","","2020.02","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 Cl2 N3 O3 -","- C22 H17 Cl2 N3 O3 -","- C88 H68 Cl8 N12 O12 -","4","1","","Mapp, Lucy K.; Coles, Simon; Aitipamula, Srinivasulu","Novel solid forms of lonidamine: crystal structures and physicochemical properties","CrystEngComm","2017","","","","","10.1039/C7CE00651A","","x-ray","0.71073","MoKα","","0.0558","0.0424","","","0.1068","0.1143","","","","","","1.024","","","","has coordinates","195837","2020-10-21","18:00:00",""
"7228133","12.991","0.0003","7.6724","0.0002","19.8344","0.0005","90","","97.409","0.002","90","","1960.43","0.08","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H16 Cl2 N4 O3 -","- C21 H16 Cl2 N4 O3 -","- C84 H64 Cl8 N16 O12 -","4","1","","Mapp, Lucy K.; Coles, Simon; Aitipamula, Srinivasulu","Novel solid forms of lonidamine: crystal structures and physicochemical properties","CrystEngComm","2017","","","","","10.1039/C7CE00651A","","x-ray","0.71073","MoKα","","0.0453","0.0393","","","0.0926","0.0967","","","","","","1.048","","","","has coordinates","195837","2020-10-21","18:00:00",""
"7228134","7.0752","0.0004","8.175","0.0004","16.8057","0.001","99.416","0.005","100.168","0.005","94.778","0.005","937.56","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H16 Cl2 N8 O2 -","- C18 H16 Cl2 N8 O2 -","- C36 H32 Cl4 N16 O4 -","2","1","","Mapp, Lucy K.; Coles, Simon; Aitipamula, Srinivasulu","Novel solid forms of lonidamine: crystal structures and physicochemical properties","CrystEngComm","2017","","","","","10.1039/C7CE00651A","","x-ray","0.71073","MoKα","","0.0406","0.036","","","0.0892","0.0921","","","","","","1.041","","","","has coordinates","195837","2020-10-21","18:00:00",""
"7228135","8.5711","0.0002","12.3681","0.0004","16.627","0.0005","79.963","0.003","81.329","0.002","84.947","0.003","1712.32","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H30 Cl4 N6 O4 -","- C37 H30 Cl4 N6 O4 -","- C74 H60 Cl8 N12 O8 -","2","1","","Mapp, Lucy K.; Coles, Simon; Aitipamula, Srinivasulu","Novel solid forms of lonidamine: crystal structures and physicochemical properties","CrystEngComm","2017","","","","","10.1039/C7CE00651A","","x-ray","0.71073","MoKα","","0.0611","0.0466","","","0.0994","0.1056","","","","","","1.048","","","","has coordinates,has disorder","195837","2020-10-21","18:00:00",""
"7228136","13.0507","0.0002","9.033","0.0002","19.0712","0.0004","90","","99.214","0.002","90","","2219.24","0.08","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 Cl2 N4 O4 -","- C22 H24 Cl2 N4 O4 -","- C88 H96 Cl8 N16 O16 -","4","1","","Mapp, Lucy K.; Coles, Simon; Aitipamula, Srinivasulu","Novel solid forms of lonidamine: crystal structures and physicochemical properties","CrystEngComm","2017","","","","","10.1039/C7CE00651A","","x-ray","0.71073","MoKα","","0.0357","0.0322","","","0.0822","0.0846","","","","","","1.058","","","","has coordinates","195837","2020-10-21","18:00:00",""
"7228137","7.77896","0.00016","31.5718","0.0007","7.72521","0.00016","90","","97.1388","0.0019","90","","1882.57","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 Cl2 N7 O2 -","- C19 H17 Cl2 N7 O2 -","- C76 H68 Cl8 N28 O8 -","4","1","","Mapp, Lucy K.; Coles, Simon; Aitipamula, Srinivasulu","Novel solid forms of lonidamine: crystal structures and physicochemical properties","CrystEngComm","2017","","","","","10.1039/C7CE00651A","","x-ray","0.71073","MoKα","","0.0424","0.0419","","","0.0965","0.0967","","","","","","1.185","","","","has coordinates","195837","2020-10-21","18:00:00",""
"7228147","15.889","0.002","14.854","0.002","22.217","0.003","90","","90","","90","","5243.5","1.2","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H24 F3 N5 O4 S -","- C26 H24 F3 N5 O4 S -","- C208 H192 F24 N40 O32 S8 -","8","1","","Kumar, Vineet; Thaimattam, Ram; Dutta, Sanjay; Munshi, Parthapratim; Ramanan, A.","Structural landscape of multicomponent solids based on sulfa drugs","CrystEngComm","2017","","","","","10.1039/C7CE00217C","","","0.71073","MoKα","","0.1031","0.0671","","","0.197","0.2242","","","","","","1.024","","","","has coordinates","195861","2020-10-21","18:00:00",""
"7228148","8.0233","0.0013","14.923","0.003","15.703","0.003","90","","97.694","0.004","90","","1863.2","0.6","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H20 N6 O2 S -","- C17 H20 N6 O2 S -","- C68 H80 N24 O8 S4 -","4","2","","Kumar, Vineet; Thaimattam, Ram; Dutta, Sanjay; Munshi, Parthapratim; Ramanan, A.","Structural landscape of multicomponent solids based on sulfa drugs","CrystEngComm","2017","","","","","10.1039/C7CE00217C","","","0.71073","MoKα","","0.0677","0.0506","","","0.1078","0.1152","","","","","","1.027","","","","has coordinates","195861","2020-10-21","18:00:00",""
"7228149","15.84","0.002","14.613","0.002","21.829","0.003","90","","90","","90","","5052.8","1.2","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H23 F3 N6 O4 S -","- C25 H23 F3 N6 O4 S -","- C200 H184 F24 N48 O32 S8 -","8","1","","Kumar, Vineet; Thaimattam, Ram; Dutta, Sanjay; Munshi, Parthapratim; Ramanan, A.","Structural landscape of multicomponent solids based on sulfa drugs","CrystEngComm","2017","","","","","10.1039/C7CE00217C","","","0.71073","MoKα","","0.0622","0.0475","","","0.1153","0.1226","","","","","","1.042","","","","has coordinates","195861","2020-10-21","18:00:00",""
"7228150","8.0883","0.0015","8.2003","0.0016","11.818","0.002","108.255","0.003","94.274","0.005","104.221","0.003","711.7","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H16 N4 O3 S -","- C12 H16 N4 O3 S -","- C24 H32 N8 O6 S2 -","2","1","","Kumar, Vineet; Thaimattam, Ram; Dutta, Sanjay; Munshi, Parthapratim; Ramanan, A.","Structural landscape of multicomponent solids based on sulfa drugs","CrystEngComm","2017","","","","","10.1039/C7CE00217C","","","0.71073","MoKα","","0.066","0.064","","","0.1905","0.1972","","","","","","1.091","","","","has coordinates","195861","2020-10-21","18:00:00",""
"7228151","6.2696","0.0012","13.417","0.003","19.801","0.004","90","","94.89","0.004","90","","1659.6","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H19 N5 O2 S -","- C14 H19 N5 O2 S -","- C56 H76 N20 O8 S4 -","4","1","","Kumar, Vineet; Thaimattam, Ram; Dutta, Sanjay; Munshi, Parthapratim; Ramanan, A.","Structural landscape of multicomponent solids based on sulfa drugs","CrystEngComm","2017","","","","","10.1039/C7CE00217C","","","0.71073","MoKα","","0.067","0.0541","","","0.1365","0.1424","","","","","","1.095","","","","has coordinates","195861","2020-10-21","18:00:00",""
"7228152","7.871","0.002","9.438","0.003","12.417","0.004","101.99","0.006","103.624","0.007","103.701","0.006","836.3","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N6 O2 S -","- C16 H18 N6 O2 S -","- C32 H36 N12 O4 S2 -","2","1","","Kumar, Vineet; Thaimattam, Ram; Dutta, Sanjay; Munshi, Parthapratim; Ramanan, A.","Structural landscape of multicomponent solids based on sulfa drugs","CrystEngComm","2017","","","","","10.1039/C7CE00217C","","","0.71073","MoKα","","0.0808","0.0613","","","0.1668","0.2067","","","","","","1.053","","","","has coordinates","195861","2020-10-21","18:00:00",""
"7228153","5.9301","0.0009","13.886","0.002","18.557","0.003","86.989","0.003","81.358","0.003","82.556","0.003","1497.1","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H34 N10 O4 S2 -","- C26 H34 N10 O4 S2 -","- C52 H68 N20 O8 S4 -","2","1","","Kumar, Vineet; Thaimattam, Ram; Dutta, Sanjay; Munshi, Parthapratim; Ramanan, A.","Structural landscape of multicomponent solids based on sulfa drugs","CrystEngComm","2017","","","","","10.1039/C7CE00217C","","","0.71073","MoKα","","0.0699","0.0506","","","0.1468","0.185","","","","","","1.019","","","","has coordinates","195861","2020-10-21","18:00:00",""
"7228154","10.2001","0.0018","11.201","0.002","15.778","0.003","106.698","0.003","91.809","0.003","101.329","0.004","1685.6","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H18 N5 O3.5 S -","- C15 H18 N5 O3.5 S -","- C60 H72 N20 O14 S4 -","4","2","","Kumar, Vineet; Thaimattam, Ram; Dutta, Sanjay; Munshi, Parthapratim; Ramanan, A.","Structural landscape of multicomponent solids based on sulfa drugs","CrystEngComm","2017","","","","","10.1039/C7CE00217C","","","0.71073","MoKα","","0.0813","0.0526","","","0.1222","0.1447","","","","","","1.002","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7228155","9.946","0.0004","10.7","0.0005","10.84","0.0005","97.035","0.001","99.139","0.001","116.083","0.001","998.63","0.08","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H36 Mn2 Mo6 N4 O36 Te -","- C14 H36 Mn2 Mo6 N4 O36 Te -","- C14 H36 Mn2 Mo6 N4 O36 Te -","1","0.5","","Wang, Xiuli; Sun, Junjun; Lin, Hongyan; Chang, Zhihan; Liu, Guocheng; Wang, Xiang","A series of novel Anderson-type Polyoxometalate-based MnII Complexes constructed from pyridyl-derivatives: Assembly, structures, electrochemical and photocatalytic properties","CrystEngComm","2017","","","","","10.1039/C7CE00659D","","","0.71069","MoKα","","0.0276","0.024","","","0.0622","0.0642","","","","","","0.998","","","","has coordinates","195862","2020-10-21","18:00:00",""
"7228156","7.106","0.0013","11.066","0.002","13.489","0.002","86.196","0.003","79.701","0.003","89.749","0.003","1041.3","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H25 Cr Mn2 Mo6 N14 O28 -","- C18 H20 Cr Mn2 Mo6 N14 O28 -","- C18 H20 Cr Mn2 Mo6 N14 O28 -","1","0.5","","Wang, Xiuli; Sun, Junjun; Lin, Hongyan; Chang, Zhihan; Liu, Guocheng; Wang, Xiang","A series of novel Anderson-type Polyoxometalate-based MnII Complexes constructed from pyridyl-derivatives: Assembly, structures, electrochemical and photocatalytic properties","CrystEngComm","2017","","","","","10.1039/C7CE00659D","","","0.71069","MoKα","","0.0392","0.0359","","","0.1043","0.1065","","","","","","1.003","","","","has coordinates","195862","2020-10-21","18:00:00",""
"7228157","7.0352","0.0016","11.367","0.003","21.063","0.005","88.386","0.004","89.989","0.005","77.187","0.004","1641.8","0.7","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H23 Cr Mn Mo6 N4 O27 -","- C14 H17 Cr Mn Mo6 N4 O27 -","- C28 H34 Cr2 Mn2 Mo12 N8 O54 -","2","1","","Wang, Xiuli; Sun, Junjun; Lin, Hongyan; Chang, Zhihan; Liu, Guocheng; Wang, Xiang","A series of novel Anderson-type Polyoxometalate-based MnII Complexes constructed from pyridyl-derivatives: Assembly, structures, electrochemical and photocatalytic properties","CrystEngComm","2017","","","","","10.1039/C7CE00659D","","","0.71073","MoKα","","0.1056","0.0928","","","0.2328","0.2389","","","","","","1.071","","","","has coordinates,has disorder","195862","2020-10-21","18:00:00",""
"7228161","4.1254","0.0001","10.6052","0.0003","11.9696","0.0003","90","","96.02","0.002","90","","520.79","0.02","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H3 Cl N2 O -","- C4 H3 Cl N2 O -","- C16 H12 Cl4 N8 O4 -","4","1","","Hübscher, Jörg; Seichter, Wilhelm; Weber, Edwin","Intermolecular contacts in the crystal structures of specifically varied halogen and protonic group substituted azines","CrystEngComm","2017","","","","","10.1039/C7CE00548B","","","0.71073","MoKα","","0.0316","0.0268","","","0.0739","0.0772","","","","","","1.032","","","","has coordinates","195899","2020-10-21","18:00:00",""
"7228162","3.8613","0.0001","11.4201","0.0002","16.0731","0.0003","90","","95.936","0.001","90","","704.97","0.03","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H3 Cl2 N -","- C7 H3 Cl2 N -","- C28 H12 Cl8 N4 -","4","1","","Hübscher, Jörg; Seichter, Wilhelm; Weber, Edwin","Intermolecular contacts in the crystal structures of specifically varied halogen and protonic group substituted azines","CrystEngComm","2017","","","","","10.1039/C7CE00548B","","","0.71073","MoKα","","0.028","0.0238","","","0.0623","0.065","","","","","","1.075","","","","has coordinates","195899","2020-10-21","18:00:00",""
"7228163","13.4092","0.0004","6.7578","0.0002","7.9577","0.0002","90","","90","","90","","721.1","0.04","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H2 Cl2 I N -","- C5 H2 Cl2 I N -","- C20 H8 Cl8 I4 N4 -","4","0.5","","Hübscher, Jörg; Seichter, Wilhelm; Weber, Edwin","Intermolecular contacts in the crystal structures of specifically varied halogen and protonic group substituted azines","CrystEngComm","2017","","","","","10.1039/C7CE00548B","","","0.71073","MoKα","","0.0168","0.0149","","","0.0352","0.0359","","","","","","1.095","","","","has coordinates","195899","2020-10-21","18:00:00",""
"7228164","14.8774","0.0003","6.7419","0.0002","6.1893","0.0001","90","","90","","90","","620.8","0.02","153","2","153","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C4 H2 Cl I N2 -","- C4 H2 Cl I N2 -","- C16 H8 Cl4 I4 N8 -","4","0.5","","Hübscher, Jörg; Seichter, Wilhelm; Weber, Edwin","Intermolecular contacts in the crystal structures of specifically varied halogen and protonic group substituted azines","CrystEngComm","2017","","","","","10.1039/C7CE00548B","","","0.71073","MoKα","","0.0234","0.0188","","","0.0463","0.0488","","","","","","1.152","","","","has coordinates","195899","2020-10-21","18:00:00",""
"7228168","15.1696","0.0016","16.2061","0.0017","5.6087","0.0006","90","","90","","90","","1378.8","0.3","90","2","90","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","Co(B-Bn)2","","","- C34 H32 Co N2 O2 -","- C34 H32 Co N2 O2 -","- C68 H64 Co2 N4 O4 -","2","0.5","","Powers, Xian B.; Ghiassi, Kamran B.; Greenfield, Joshua T.; Olmstead, Marilyn M.; Balch, Alan L.","Interrelationships between the tetrahedral and planar polymorphs of bis(3-ethylamino-1-phenyl-but-2-en-1-ono)nickel(ii) and structural comparisons with related CoII, NiII, CuII, and ZnII complexes","CrystEngComm","2017","","","","","10.1039/C7CE00638A","","","0.71073","MoKα","","0.029","0.0263","","","0.0658","0.0671","","","","","","1.054","","","","has coordinates","195948","2020-10-21","18:00:00",""
"7228169","7.516","0.0005","12.6431","0.0009","13.1097","0.0014","118.47","0.002","101.607","0.002","95.514","0.002","1045.7","0.15","90","2","90","2","","","","","","","","5","P -1","-P 1","2","Ni(B-Et)2","","","- C24 H28 N2 Ni O2 -","- C24 H28 N2 Ni O2 -","- C48 H56 N4 Ni2 O4 -","2","1","","Powers, Xian B.; Ghiassi, Kamran B.; Greenfield, Joshua T.; Olmstead, Marilyn M.; Balch, Alan L.","Interrelationships between the tetrahedral and planar polymorphs of bis(3-ethylamino-1-phenyl-but-2-en-1-ono)nickel(ii) and structural comparisons with related CoII, NiII, CuII, and ZnII complexes","CrystEngComm","2017","","","","","10.1039/C7CE00638A","","","0.71073","MoKα","","0.0311","0.022","","","0.066","0.068","","","","","","1.089","","","","has coordinates","195948","2020-10-21","18:00:00",""
"7228170","12.813","0.002","7.2285","0.0013","23.157","0.004","90","","90.407","0.002","90","","2144.7","0.6","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Cu(B-Et)2","","","- C24 H28 Cu N2 O2 -","- C24 H28 Cu N2 O2 -","- C96 H112 Cu4 N8 O8 -","4","1","","Powers, Xian B.; Ghiassi, Kamran B.; Greenfield, Joshua T.; Olmstead, Marilyn M.; Balch, Alan L.","Interrelationships between the tetrahedral and planar polymorphs of bis(3-ethylamino-1-phenyl-but-2-en-1-ono)nickel(ii) and structural comparisons with related CoII, NiII, CuII, and ZnII complexes","CrystEngComm","2017","","","","","10.1039/C7CE00638A","","","0.71073","MoKα","","0.0519","0.0383","","","0.099","0.1077","","","","","","1.041","","","","has coordinates","195948","2020-10-21","18:00:00",""
"7228171","9.509","0.005","9.826","0.005","12.281","0.006","87.621","0.008","70.731","0.007","74.265","0.008","1041.2","0.9","90","2","90","2","","","","","","","","5","P -1","-P 1","2","Ni(B-Et)2","","","- C24 H28 N2 Ni O2 -","- C24 H28 N2 Ni O2 -","- C48 H56 N4 Ni2 O4 -","2","1","","Powers, Xian B.; Ghiassi, Kamran B.; Greenfield, Joshua T.; Olmstead, Marilyn M.; Balch, Alan L.","Interrelationships between the tetrahedral and planar polymorphs of bis(3-ethylamino-1-phenyl-but-2-en-1-ono)nickel(ii) and structural comparisons with related CoII, NiII, CuII, and ZnII complexes","CrystEngComm","2017","","","","","10.1039/C7CE00638A","","","0.71073","MoKα","","0.043","0.0368","","","0.102","0.1059","","","","","","1.092","","","","has coordinates","195948","2020-10-21","18:00:00",""
"7228172","13.8756","0.0012","14.6124","0.0013","14.7723","0.0013","90","","112.421","0.001","90","","2768.8","0.4","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","beta Zn(B-Bn)2","","","- C34 H32 N2 O2 Zn -","- C34 H32 N2 O2 Zn -","- C136 H128 N8 O8 Zn4 -","4","1","","Powers, Xian B.; Ghiassi, Kamran B.; Greenfield, Joshua T.; Olmstead, Marilyn M.; Balch, Alan L.","Interrelationships between the tetrahedral and planar polymorphs of bis(3-ethylamino-1-phenyl-but-2-en-1-ono)nickel(ii) and structural comparisons with related CoII, NiII, CuII, and ZnII complexes","CrystEngComm","2017","","","","","10.1039/C7CE00638A","","","0.71073","MoKα","","0.0441","0.0359","","","0.0915","0.0961","","","","","","1.047","","","","has coordinates","195948","2020-10-21","18:00:00",""
"7228173","7.5225","0.0003","25.9549","0.0012","6.9974","0.0003","90","","98.533","0.001","90","","1351.09","0.1","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Ni(B-Bn)2","","","- C34 H32 N2 Ni O2 -","- C34 H32 N2 Ni O2 -","- C68 H64 N4 Ni2 O4 -","2","0.5","","Powers, Xian B.; Ghiassi, Kamran B.; Greenfield, Joshua T.; Olmstead, Marilyn M.; Balch, Alan L.","Interrelationships between the tetrahedral and planar polymorphs of bis(3-ethylamino-1-phenyl-but-2-en-1-ono)nickel(ii) and structural comparisons with related CoII, NiII, CuII, and ZnII complexes","CrystEngComm","2017","","","","","10.1039/C7CE00638A","","","0.71073","MoKα","","0.0362","0.033","","","0.095","0.0971","","","","","","1.058","","","","has coordinates","195948","2020-10-21","18:00:00",""
"7228174","12.6021","0.0017","13.2685","0.0018","14.856","0.002","102.934","0.002","94.203","0.002","117.933","0.0018","2092.7","0.5","90","2","90","2","","","","","","","","5","P -1","-P 1","2","Co(B-Et)2","","","- C24 H28 Co N2 O2 -","- C24 H28 Co N2 O2 -","- C96 H112 Co4 N8 O8 -","4","2","","Powers, Xian B.; Ghiassi, Kamran B.; Greenfield, Joshua T.; Olmstead, Marilyn M.; Balch, Alan L.","Interrelationships between the tetrahedral and planar polymorphs of bis(3-ethylamino-1-phenyl-but-2-en-1-ono)nickel(ii) and structural comparisons with related CoII, NiII, CuII, and ZnII complexes","CrystEngComm","2017","","","","","10.1039/C7CE00638A","","","0.71073","MoKα","","0.0798","0.0478","","","0.1093","0.1249","","","","","","1.039","","","","has coordinates","195948","2020-10-21","18:00:00",""
"7228175","7.3939","0.001","12.6055","0.0017","13.2996","0.0018","116.469","0.002","105.648","0.002","93.28","0.002","1045.6","0.2","90","2","90","2","","","","","","","","5","P -1","-P 1","2","Zn(B-Et)2","","","- C24 H28 N2 O2 Zn -","- C24 H28 N2 O2 Zn -","- C48 H56 N4 O4 Zn2 -","2","1","","Powers, Xian B.; Ghiassi, Kamran B.; Greenfield, Joshua T.; Olmstead, Marilyn M.; Balch, Alan L.","Interrelationships between the tetrahedral and planar polymorphs of bis(3-ethylamino-1-phenyl-but-2-en-1-ono)nickel(ii) and structural comparisons with related CoII, NiII, CuII, and ZnII complexes","CrystEngComm","2017","","","","","10.1039/C7CE00638A","","","0.71073","MoKα","","0.0702","0.0452","","","0.1032","0.1188","","","","","","1.038","","","","has coordinates,has disorder","195948","2020-10-21","18:00:00",""
"7228176","9.4162","0.0007","10.2399","0.0008","14.8195","0.0011","90","","106.669","0.001","90","","1368.86","0.18","90","2","90","2","","","","","","","","5","P 1 21 1","P 2yb","4","Cu(B-Bn)2","","","- C34 H32 Cu N2 O2 -","- C34 H32 Cu N2 O2 -","- C68 H64 Cu2 N4 O4 -","2","1","","Powers, Xian B.; Ghiassi, Kamran B.; Greenfield, Joshua T.; Olmstead, Marilyn M.; Balch, Alan L.","Interrelationships between the tetrahedral and planar polymorphs of bis(3-ethylamino-1-phenyl-but-2-en-1-ono)nickel(ii) and structural comparisons with related CoII, NiII, CuII, and ZnII complexes","CrystEngComm","2017","","","","","10.1039/C7CE00638A","","","0.71073","MoKα","","0.039","0.0332","","","0.0718","0.0746","","","","","","1.003","","","","has coordinates","195948","2020-10-21","18:00:00",""
"7228177","15.2491","0.0019","16.231","0.002","5.5977","0.0007","90","","90","","90","","1385.5","0.3","90","2","90","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","alpha-Zn(B-Bn)2","","","- C34 H32 N2 O2 Zn -","- C34 H32 N2 O2 Zn -","- C68 H64 N4 O4 Zn2 -","2","0.5","","Powers, Xian B.; Ghiassi, Kamran B.; Greenfield, Joshua T.; Olmstead, Marilyn M.; Balch, Alan L.","Interrelationships between the tetrahedral and planar polymorphs of bis(3-ethylamino-1-phenyl-but-2-en-1-ono)nickel(ii) and structural comparisons with related CoII, NiII, CuII, and ZnII complexes","CrystEngComm","2017","","","","","10.1039/C7CE00638A","","","0.71073","MoKα","","0.0234","0.0226","","","0.0653","0.0656","","","","","","1.115","","","","has coordinates","195948","2020-10-21","18:00:00",""
"7228178","14.2","0.002","14.2","0.002","17.207","0.003","90","","90","","90","","3469.6","0.9","298","2","298","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C28 H32 N8 O11 Sr -","- C28 H32 N8 O11 Sr -","- C112 H128 N32 O44 Sr4 -","4","0.5","","Cai, Songliang; He, Zi-Hao; Wu, Wan-Hua; Liu, Fang-Xiu; Huang, Xiao-Ling; Zheng, Shengrun; Fan, Jun; Zhang, Wei-Guang","A series of alkaline earth metal coordination polymers constructed from two newly designed imidazole-based dicarboxylate ligands containing pyridinylmethyl group","CrystEngComm","2017","","","","","10.1039/C7CE00568G","","","0.71073","MoKα","","0.0834","0.0536","","","0.1314","0.1457","","","","","","1.061","","","","has coordinates","195949","2020-10-21","18:00:00",""
"7228179","8.86","0.005","11.293","0.006","12.717","0.006","90","","100.088","0.007","90","","1252.7","1.1","298","2","298","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C22 H20 Ca2 N6 O11 -","- C22 H20 Ca2 N6 O11 -","- C44 H40 Ca4 N12 O22 -","2","1","","Cai, Songliang; He, Zi-Hao; Wu, Wan-Hua; Liu, Fang-Xiu; Huang, Xiao-Ling; Zheng, Shengrun; Fan, Jun; Zhang, Wei-Guang","A series of alkaline earth metal coordination polymers constructed from two newly designed imidazole-based dicarboxylate ligands containing pyridinylmethyl group","CrystEngComm","2017","","","","","10.1039/C7CE00568G","","","0.71073","MoKα","","0.0392","0.0363","","","0.0874","0.0903","","","","","","1.088","","","","has coordinates","195949","2020-10-21","18:00:00",""
"7228180","14.991","0.005","6.826","0.003","25.261","0.009","90","","90","","90","","2584.9","1.7","298","2","298","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C22 H18 Ca2 N6 O10 -","- C22 H18 Ca2 N6 O10 -","- C88 H72 Ca8 N24 O40 -","4","1","","Cai, Songliang; He, Zi-Hao; Wu, Wan-Hua; Liu, Fang-Xiu; Huang, Xiao-Ling; Zheng, Shengrun; Fan, Jun; Zhang, Wei-Guang","A series of alkaline earth metal coordination polymers constructed from two newly designed imidazole-based dicarboxylate ligands containing pyridinylmethyl group","CrystEngComm","2017","","","","","10.1039/C7CE00568G","","","0.71073","MoKα","","0.1605","0.1244","","","0.2848","0.3064","","","","","","1.089","","","","has coordinates","195949","2020-10-21","18:00:00",""
"7228181","13.996","0.003","7.1157","0.0018","13.539","0.003","90","","112.205","0.004","90","","1248.4","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 Ba N3 O5 -","- C11 H9 Ba N3 O5 -","- C44 H36 Ba4 N12 O20 -","4","1","","Cai, Songliang; He, Zi-Hao; Wu, Wan-Hua; Liu, Fang-Xiu; Huang, Xiao-Ling; Zheng, Shengrun; Fan, Jun; Zhang, Wei-Guang","A series of alkaline earth metal coordination polymers constructed from two newly designed imidazole-based dicarboxylate ligands containing pyridinylmethyl group","CrystEngComm","2017","","","","","10.1039/C7CE00568G","","","0.71073","MoKα","","0.0428","0.0329","","","0.0787","0.0856","","","","","","1.022","","","","has coordinates","195949","2020-10-21","18:00:00",""
"7228182","14.696","0.006","6.854","0.003","13","0.006","90","","112.606","0.007","90","","1208.8","0.9","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 N3 O5 Sr -","- C11 H9 N3 O5 Sr -","- C44 H36 N12 O20 Sr4 -","4","1","","Cai, Songliang; He, Zi-Hao; Wu, Wan-Hua; Liu, Fang-Xiu; Huang, Xiao-Ling; Zheng, Shengrun; Fan, Jun; Zhang, Wei-Guang","A series of alkaline earth metal coordination polymers constructed from two newly designed imidazole-based dicarboxylate ligands containing pyridinylmethyl group","CrystEngComm","2017","","","","","10.1039/C7CE00568G","","","0.71073","MoKα","","0.0573","0.0402","","","0.0899","0.0974","","","","","","1.02","","","","has coordinates","195949","2020-10-21","18:00:00",""
"7228183","19.642","0.005","19.642","0.005","49.236","0.015","90","","90","","120","","16451","8","298","2","298","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C66 H78 Mg10 N18 O61 S -","- C66 H78 Mg10 N18 O61.0002 S -","- C396 H468 Mg60 N108 O366.001 S6 -","6","0.333333","","Cai, Songliang; He, Zi-Hao; Wu, Wan-Hua; Liu, Fang-Xiu; Huang, Xiao-Ling; Zheng, Shengrun; Fan, Jun; Zhang, Wei-Guang","A series of alkaline earth metal coordination polymers constructed from two newly designed imidazole-based dicarboxylate ligands containing pyridinylmethyl group","CrystEngComm","2017","","","","","10.1039/C7CE00568G","","","0.71073","MoKα","","0.1893","0.114","","","0.2866","0.3394","","","","","","1.097","","","","has coordinates","195949","2020-10-21","18:00:00",""
"7228184","14.589","0.003","7.0523","0.0016","13.358","0.003","90","","113.582","0.003","90","","1259.6","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 Ba N3 O5 -","- C11 H9 Ba N3 O5 -","- C44 H36 Ba4 N12 O20 -","4","1","","Cai, Songliang; He, Zi-Hao; Wu, Wan-Hua; Liu, Fang-Xiu; Huang, Xiao-Ling; Zheng, Shengrun; Fan, Jun; Zhang, Wei-Guang","A series of alkaline earth metal coordination polymers constructed from two newly designed imidazole-based dicarboxylate ligands containing pyridinylmethyl group","CrystEngComm","2017","","","","","10.1039/C7CE00568G","","","0.71073","MoKα","","0.0505","0.0385","","","0.0935","0.1019","","","","","","1.045","","","","has coordinates","195949","2020-10-21","18:00:00",""
"7228185","12.4443","0.0006","13.9144","0.0007","8.8461","0.0003","90","","97.272","0.003","90","","1519.43","0.12","453","","453","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H8 Mn N3 O4 S -","- C13 H8 Mn N3 O4 S -","- C52 H32 Mn4 N12 O16 S4 -","4","1","","Matoga, Dariusz; Roztocki, Kornel; Wilke, Manuel; Emmerling, Franziska; Oszajca, Marcin; Fitta, Magdalena; Bałanda, Maria","Crystalline Bilayers Unzipped and Rezipped: Solid-State Reaction Cycle of a Metal-Organic Framework with Triple Rearrangement of Intralayer Bonds","CrystEngComm","2017","","","","","10.1039/C7CE00655A","powder diffraction","x-ray","1.5418","","","0.0847","0.0748","","0.0749","0.0741","","","","4.36","","","","","","","has coordinates","195950","2020-10-21","18:00:00",""
"7228186","10.252","0.003","10.457","0.003","19.169","0.005","77.39","0.05","75.51","0.04","65.29","0.05","1792.3","1.2","80","2","80","2","","","","","","","","7","P -1","-P 1","2","","","","- C40.5 H30 Ag1.5 N2.5 O2 P2 Re -","- C40.5 H30 Ag1.5 N2.5 O2 P2 Re -","- C81 H60 Ag3 N5 O4 P4 Re2 -","2","1","","Krawczyk, Monika K.; Bikas, Rahman; Krawczyk, Marta S.; Lis, Tadeusz","On the Rhenium(I)‒Silver(I) Cyanide Porous Macrocyclic Clusters","CrystEngComm","2017","","","","","10.1039/C7CE00646B","","","0.71073","MoKα","","0.1139","0.0624","","","0.0814","0.0931","","","","","","1.014","","","","has coordinates,has disorder","195951","2020-10-21","18:00:00",""
"7228187","12.864","0.004","14.241","0.004","15.442","0.005","93.85","0.03","107.03","0.03","110.46","0.03","2488.5","1.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C116 H90 Ag2 N4 O4 P6 Re2 -","- C116 H90 Ag2 N4 O4 P6 Re2 -","- C116 H90 Ag2 N4 O4 P6 Re2 -","1","0.5","","Krawczyk, Monika K.; Bikas, Rahman; Krawczyk, Marta S.; Lis, Tadeusz","On the Rhenium(I)‒Silver(I) Cyanide Porous Macrocyclic Clusters","CrystEngComm","2017","","","","","10.1039/C7CE00646B","","","0.71073","MoKα","","0.0838","0.0531","","","0.0706","0.0787","","","","","","1.018","","","","has coordinates","195951","2020-10-21","18:00:00",""
"7228188","12.157","0.003","18.455","0.005","18.44","0.005","78.16","0.03","75.56","0.03","73.82","0.03","3806.6","1.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C168 H140 Ag4 N8 O10 P8 Re4 -","- C168 H140 Ag4 N8 O10 P8 Re4 -","- C168 H140 Ag4 N8 O10 P8 Re4 -","1","0.5","","Krawczyk, Monika K.; Bikas, Rahman; Krawczyk, Marta S.; Lis, Tadeusz","On the Rhenium(I)‒Silver(I) Cyanide Porous Macrocyclic Clusters","CrystEngComm","2017","","","","","10.1039/C7CE00646B","","","0.71073","MoKα","","0.184","0.0861","","","0.137","0.177","","","","","","0.925","","","","has coordinates,has disorder","195951","2020-10-21","18:00:00",""
"7228189","12.224","0.002","18.438","0.005","35.881","0.009","83.4","0.03","89.05","0.03","71.89","0.03","7634","3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C164 H128 Ag4 N10 O9 P8 Re4 -","- C164 H126 Ag4 N10 O9 P8 Re4 -","- C328 H252 Ag8 N20 O18 P16 Re8 -","2","1","","Krawczyk, Monika K.; Bikas, Rahman; Krawczyk, Marta S.; Lis, Tadeusz","On the Rhenium(I)‒Silver(I) Cyanide Porous Macrocyclic Clusters","CrystEngComm","2017","","","","","10.1039/C7CE00646B","","","0.71073","MoKα","","0.0676","0.0478","","","0.1201","0.1263","","","","","","1.069","","","","has coordinates,has disorder","195951","2020-10-21","18:00:00",""
"7228190","12.252","0.003","18.571","0.005","35.873","0.01","83.68","0.03","88.96","0.03","72.12","0.03","7720","4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C165 H141.5 Ag4 N8 O13.75 P8 Re4 -","- C165 H141.5 Ag4 N8 O13.75 P8 Re4 -","- C330 H283 Ag8 N16 O27.5 P16 Re8 -","2","1","","Krawczyk, Monika K.; Bikas, Rahman; Krawczyk, Marta S.; Lis, Tadeusz","On the Rhenium(I)‒Silver(I) Cyanide Porous Macrocyclic Clusters","CrystEngComm","2017","","","","","10.1039/C7CE00646B","","","0.71073","MoKα","","0.0465","0.0402","","","0.099","0.1046","","","","","","0.97","","","","has coordinates,has disorder","195951","2020-10-21","18:00:00",""
"7228191","12.275","0.002","18.433","0.005","36.135","0.009","82.79","0.03","88.71","0.03","72.06","0.03","7716","3","80","2","80","2","","","","","","","","7","P -1","-P 1","2","","","","- C169 H138 Ag4 N8 O11 P8 Re4 -","- C169 H138 Ag4 N8 O11 P8 Re4 -","- C338 H276 Ag8 N16 O22 P16 Re8 -","2","1","","Krawczyk, Monika K.; Bikas, Rahman; Krawczyk, Marta S.; Lis, Tadeusz","On the Rhenium(I)‒Silver(I) Cyanide Porous Macrocyclic Clusters","CrystEngComm","2017","","","","","10.1039/C7CE00646B","","","0.71073","MoKα","","0.2192","0.0925","","","0.1054","0.1376","","","","","","0.918","","","","has coordinates","195951","2020-10-21","18:00:00",""
"7228192","12.282","0.002","18.475","0.004","35.979","0.008","83.56","0.03","89.19","0.03","72.42","0.03","7732","3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C170 H150 Ag4 N8 O13 P8 Re4 -","- C170 H150 Ag4 N8 O13 P8 Re4 -","- C340 H300 Ag8 N16 O26 P16 Re8 -","2","1","","Krawczyk, Monika K.; Bikas, Rahman; Krawczyk, Marta S.; Lis, Tadeusz","On the Rhenium(I)‒Silver(I) Cyanide Porous Macrocyclic Clusters","CrystEngComm","2017","","","","","10.1039/C7CE00646B","","","0.71073","MoKα","","0.0409","0.0347","","","0.0914","0.0942","","","","","","0.907","","","","has coordinates,has disorder","195951","2020-10-21","18:00:00",""
"7228203","13.946","0.003","14.296","0.003","26.749","0.005","81.29","0.03","77.99","0.03","81.78","0.03","5121.7","1.9","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C113 H106 B Cl2 Cu3 F4 N4 O4 P6 -","- C113 H106 B Cl2 Cu3 F4 N4 O4 P6 -","- C226 H212 B2 Cl4 Cu6 F8 N8 O8 P12 -","2","1","","Zhou, Yu-Peng; Wei, Zhang-Wen; Lin, Zhuo-Jia; Ling, Hui-Tao; Guo, Zhengang; Zhang, Mei; Lam, Chi-Keung; Ye, Bao-Hui; Chao, Hsiu-Yi","Diverse binding of important anions in 1-D tricopper anion coordination polymer (ACP) architectures","CrystEngComm","2017","19","17","2349","","10.1039/C7CE00087A","","","0.71073","MoKα","","0.0558","0.0386","","","0.1029","0.1147","","","","","","1.014","","","","has coordinates","196235","2020-10-21","18:00:00",""
"7228204","19.431","0.004","20.455","0.004","25.426","0.005","90","","91.9","0.03","90","","10100","3","110","2","110","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C109 H98 Cu3 F N4 O3 P6 -","- C109 H98 Cu3 F N4 O3 P6 -","- C436 H392 Cu12 F4 N16 O12 P24 -","4","1","","Zhou, Yu-Peng; Wei, Zhang-Wen; Lin, Zhuo-Jia; Ling, Hui-Tao; Guo, Zhengang; Zhang, Mei; Lam, Chi-Keung; Ye, Bao-Hui; Chao, Hsiu-Yi","Diverse binding of important anions in 1-D tricopper anion coordination polymer (ACP) architectures","CrystEngComm","2017","19","17","2349","","10.1039/C7CE00087A","","","0.71073","MoKα","","0.0916","0.0519","","","0.1371","0.1536","","","","","","1.05","","","","has coordinates","196235","2020-10-21","18:00:00",""
"7228205","27.9483","0.0003","21.5782","0.0002","36.4721","0.0004","90","","90","","90","","21995.4","0.4","173","2","173","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C113 H104 Cu3 N5 O5 P6 -","- C113 H104 Cu3 N5 O5 P6 -","- C904 H832 Cu24 N40 O40 P48 -","8","1","","Zhou, Yu-Peng; Wei, Zhang-Wen; Lin, Zhuo-Jia; Ling, Hui-Tao; Guo, Zhengang; Zhang, Mei; Lam, Chi-Keung; Ye, Bao-Hui; Chao, Hsiu-Yi","Diverse binding of important anions in 1-D tricopper anion coordination polymer (ACP) architectures","CrystEngComm","2017","19","17","2349","","10.1039/C7CE00087A","","","1.54178","CuKα","","0.0551","0.0464","","","0.1171","0.1247","","","","","","1.036","","","","has coordinates,has disorder","196235","2020-10-21","18:00:00",""
"7228206","20.044","0.004","26.268","0.005","20.139","0.004","90","","96.56","0.03","90","","10534","4","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C107 H86 Cu3 F7 N4 O2 P6 -","- C107 H86 Cu3 F7 N4 O2 P6 -","- C428 H344 Cu12 F28 N16 O8 P24 -","4","1","","Zhou, Yu-Peng; Wei, Zhang-Wen; Lin, Zhuo-Jia; Ling, Hui-Tao; Guo, Zhengang; Zhang, Mei; Lam, Chi-Keung; Ye, Bao-Hui; Chao, Hsiu-Yi","Diverse binding of important anions in 1-D tricopper anion coordination polymer (ACP) architectures","CrystEngComm","2017","19","17","2349","","10.1039/C7CE00087A","","","0.71073","MoKα","","0.1597","0.0725","","","0.1813","0.2115","","","","","","1.015","","","","has coordinates,has disorder","196235","2020-10-21","18:00:00",""
"7228207","17.551","0.004","30.505","0.006","19.142","0.004","90","","94.84","0.03","90","","10212","4","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C105 H86 Cu3 F N6 O6 P6 -","- C105 H86 Cu3 F N6 O6 P6 -","- C420 H344 Cu12 F4 N24 O24 P24 -","4","1","","Zhou, Yu-Peng; Wei, Zhang-Wen; Lin, Zhuo-Jia; Ling, Hui-Tao; Guo, Zhengang; Zhang, Mei; Lam, Chi-Keung; Ye, Bao-Hui; Chao, Hsiu-Yi","Diverse binding of important anions in 1-D tricopper anion coordination polymer (ACP) architectures","CrystEngComm","2017","19","17","2349","","10.1039/C7CE00087A","","","0.71073","MoKα","","0.0965","0.0514","","","0.1195","0.1453","","","","","","1.008","","","","has coordinates","196235","2020-10-21","18:00:00",""
"7228208","47.4995","0.0014","15.3047","0.0004","29.9249","0.0009","90","","107.656","0.001","90","","20729.6","1","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C107 H92 B0.5 Cu3 F3 N4 O4 P6 -","- C107 H92 B0.5 Cu3 F3 N4 O4 P6 -","- C856 H736 B4 Cu24 F24 N32 O32 P48 -","8","1","","Zhou, Yu-Peng; Wei, Zhang-Wen; Lin, Zhuo-Jia; Ling, Hui-Tao; Guo, Zhengang; Zhang, Mei; Lam, Chi-Keung; Ye, Bao-Hui; Chao, Hsiu-Yi","Diverse binding of important anions in 1-D tricopper anion coordination polymer (ACP) architectures","CrystEngComm","2017","19","17","2349","","10.1039/C7CE00087A","","","0.71073","MoKα","","0.0944","0.0613","","","0.1719","0.1883","","","","","","1.061","","","","has coordinates,has disorder","196235","2020-10-21","18:00:00",""
"7228209","13.861","0.003","33.095","0.007","22.888","0.005","90","","107.6","0.03","90","","10008","4","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C113 H104 B Cu3 F4 N4 O2 P6 -","- C113 H104 B Cu3 F4 N4 O2 P6 -","- C452 H416 B4 Cu12 F16 N16 O8 P24 -","4","1","","Zhou, Yu-Peng; Wei, Zhang-Wen; Lin, Zhuo-Jia; Ling, Hui-Tao; Guo, Zhengang; Zhang, Mei; Lam, Chi-Keung; Ye, Bao-Hui; Chao, Hsiu-Yi","Diverse binding of important anions in 1-D tricopper anion coordination polymer (ACP) architectures","CrystEngComm","2017","19","17","2349","","10.1039/C7CE00087A","","","0.71073","MoKα","","0.1188","0.0559","","","0.1238","0.1519","","","","","","1.015","","","","has coordinates","196235","2020-10-21","18:00:00",""
"7228210","14.71","0.003","21.288","0.004","19.399","0.004","90","","110.49","0.03","90","","5690","2","173","2","173","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C113 H104 Cu3 F N4 O2 P6 -","- C114 H104 Cu3 F N4 O2 P6 -","- C228 H208 Cu6 F2 N8 O4 P12 -","2","0.5","","Zhou, Yu-Peng; Wei, Zhang-Wen; Lin, Zhuo-Jia; Ling, Hui-Tao; Guo, Zhengang; Zhang, Mei; Lam, Chi-Keung; Ye, Bao-Hui; Chao, Hsiu-Yi","Diverse binding of important anions in 1-D tricopper anion coordination polymer (ACP) architectures","CrystEngComm","2017","19","17","2349","","10.1039/C7CE00087A","","","0.71073","MoKα","","0.0843","0.0649","","","0.205","0.2199","","","","","","1.208","","","","has coordinates,has disorder","196235","2020-10-21","18:00:00",""
"7228211","21.838","0.003","21.838","0.003","14.721","0.003","90","","90","","90","","7020","2","100","2","100","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C30 H22 Cd N4 O9 -","- C30 H22 Cd N4 O9 -","- C240 H176 Cd8 N32 O72 -","8","1","","Boer, Stephanie A.; Turner, David R.","A robust metallomacrocyclic motif for the formation interpenetrated coordination polymers","CrystEngComm","2017","19","17","2402","","10.1039/C7CE00498B","","","0.7108","Synchrotron","","0.0239","0.0235","","","0.0622","0.0624","","","","","","1.105","","","","has coordinates","196237","2020-10-21","18:00:00",""
"7228212","9.166","0.0018","21.819","0.004","11.505","0.002","90","","96.39","0.03","90","","2286.6","0.7","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C52 H36 Mn N6 O16 -","- C52 H36 Mn N6 O16 -","- C104 H72 Mn2 N12 O32 -","2","1","","Boer, Stephanie A.; Turner, David R.","A robust metallomacrocyclic motif for the formation interpenetrated coordination polymers","CrystEngComm","2017","19","17","2402","","10.1039/C7CE00498B","","","0.7108","Synchrotron","","0.0574","0.0481","","","0.1165","0.1219","","","","","","1.046","","","","has coordinates","196237","2020-10-21","18:00:00",""
"7228213","11.947","0.002","13.534","0.003","14.618","0.003","81.85","0.03","66.46","0.03","89.84","0.03","2141.2","0.9","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C91 H60 Cd2 N13 O28 -","- C91 H60 Cd2 N13 O28 -","- C91 H60 Cd2 N13 O28 -","1","1","","Boer, Stephanie A.; Turner, David R.","A robust metallomacrocyclic motif for the formation interpenetrated coordination polymers","CrystEngComm","2017","19","17","2402","","10.1039/C7CE00498B","","","0.7108","Synchrotron","","0.11","0.09","","","0.2242","0.2444","","","","","","1.051","","","","has coordinates","196237","2020-10-21","18:00:00",""
"7228214","18.324","0.004","23.774","0.005","14.04","0.003","90","","90","","90","","6116","2","100","","100","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C105 H95 Mn4 N15 O39 -","- C105 H95 Mn4 N15 O39 -","- C210 H190 Mn8 N30 O78 -","2","0.5","","Boer, Stephanie A.; Turner, David R.","A robust metallomacrocyclic motif for the formation interpenetrated coordination polymers","CrystEngComm","2017","19","17","2402","","10.1039/C7CE00498B","","","0.7108","Synchrotron","","0.0653","0.0581","","","0.1671","0.1768","","","","","","1.044","","","","has coordinates,has disorder","196237","2020-10-21","18:00:00",""
"7228215","8.302","0.0017","14.375","0.003","17.195","0.003","66.8","0.03","88.82","0.03","78.25","0.03","1842.6","0.8","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C73 H69 Cd2 N11 O29 -","- C73 H69 Cd2 N11 O29 -","- C73 H69 Cd2 N11 O29 -","1","1","","Boer, Stephanie A.; Turner, David R.","A robust metallomacrocyclic motif for the formation interpenetrated coordination polymers","CrystEngComm","2017","19","17","2402","","10.1039/C7CE00498B","","","0.7108","Synchrotron","","0.0427","0.0419","","","0.1157","0.1165","","","","","","1.093","","","","has coordinates","196237","2020-10-21","18:00:00",""
"7228216","17.345","0.004","22.362","0.005","13.817","0.003","90","","90","","90","","5359","2","100","","100","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C60.3 H42.3 N8 O17 Zn2 -","- C60.3 H42.3 N8 O17 Zn2 -","- C241.2 H169.2 N32 O68 Zn8 -","4","1","","Boer, Stephanie A.; Turner, David R.","A robust metallomacrocyclic motif for the formation interpenetrated coordination polymers","CrystEngComm","2017","19","17","2402","","10.1039/C7CE00498B","","","0.7108","Synchrotron","","0.0656","0.0617","","","0.175","0.1795","","","","","","1.041","","","","has coordinates,has disorder","196237","2020-10-21","18:00:00",""
"7228217","18.674","0.004","23.894","0.005","14.086","0.003","90","","90","","90","","6285","2","100","2","100","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C102 H88 Cd4 N14 O38 -","- C102 H88 Cd4 N14 O38 -","- C204 H176 Cd8 N28 O76 -","2","0.5","","Boer, Stephanie A.; Turner, David R.","A robust metallomacrocyclic motif for the formation interpenetrated coordination polymers","CrystEngComm","2017","19","17","2402","","10.1039/C7CE00498B","","","0.7108","Synchrotron","","0.0499","0.0417","","","0.1112","0.1167","","","","","","1.035","","","","has coordinates,has disorder","196237","2020-10-21","18:00:00",""
"7228218","16.984","0.002","16.984","0.002","21.78","0.004","90","","90","","90","","6282.6","1.6","100","","100","","","","","","","","","5","P 42","P 4c","77","","","","- C59 H55 Cd2 N9 O20 -","- C59 H55 Cd2 N9 O20 -","- C236 H220 Cd8 N36 O80 -","4","1","","Boer, Stephanie A.; Turner, David R.","A robust metallomacrocyclic motif for the formation interpenetrated coordination polymers","CrystEngComm","2017","19","17","2402","","10.1039/C7CE00498B","","","0.7108","Synchrotron","","0.1415","0.0883","","","0.261","0.3085","","","","","","1.048","","","","has coordinates,has disorder","196237","2020-10-21","18:00:00",""
"7228219","15.369","0.003","17.967","0.004","18.47","0.004","90","","107.96","0.03","90","","4852","2","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C88 H48 Cd2 N12 O24 -","- C88 H48 Cd2 N12 O24 -","- C176 H96 Cd4 N24 O48 -","2","1","","Boer, Stephanie A.; Turner, David R.","A robust metallomacrocyclic motif for the formation interpenetrated coordination polymers","CrystEngComm","2017","19","17","2402","","10.1039/C7CE00498B","","","0.7108","Synchrotron","","0.0552","0.0488","","","0.1355","0.1402","","","","","","1.062","","","","has coordinates","196237","2020-10-21","18:00:00",""
"7228220","6.468","0.0013","7.7544","0.0016","8.6026","0.0017","97.267","0.017","109.253","0.018","96.531","0.017","398.46","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 N2 Ni O4 -","- C18 H20 N2 Ni O4 -","- C18 H20 N2 Ni O4 -","1","0.5","","Carter, Damien J.; Raiteri, Paolo; Barnard, Keith R.; Gielink, Rhian; Mocerino, Mauro; Skelton, Brian W.; Vaughan, Jamila G.; Ogden, Mark I.; Rohl, Andrew L.","Difference Hirshfeld fingerprint plots: a tool for studying polymorphs","CrystEngComm","2017","19","16","2207","","10.1039/C6CE02535H","","","0.71073","MoKα","","0.0572","0.0401","","","0.0809","0.0841","","","","","","0.941","","","","has coordinates","196238","2020-10-21","18:00:00",""
"7228221","6.2433","0.0004","8.0884","0.0006","8.6219","0.0007","71.541","0.007","79.573","0.006","85.986","0.006","406.13","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 Cu N2 O4 -","- C18 H20 Cu N2 O4 -","- C18 H20 Cu N2 O4 -","1","0.5","","Carter, Damien J.; Raiteri, Paolo; Barnard, Keith R.; Gielink, Rhian; Mocerino, Mauro; Skelton, Brian W.; Vaughan, Jamila G.; Ogden, Mark I.; Rohl, Andrew L.","Difference Hirshfeld fingerprint plots: a tool for studying polymorphs","CrystEngComm","2017","19","16","2207","","10.1039/C6CE02535H","","","0.71073","MoKα","","0.0475","0.0412","","","0.0935","0.0985","","","","","","1.067","","","","has coordinates","196238","2020-10-21","18:00:00",""
"7228222","10.8252","0.001","7.7396","0.0003","15.366","0.0006","90","","95.439","0.005","90","","1281.61","0.14","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 N4 Ni O10 S2 -","- C22 H30 N4 Ni O10 S2 -","- C44 H60 N8 Ni2 O20 S4 -","2","0.5","","Carter, Damien J.; Raiteri, Paolo; Barnard, Keith R.; Gielink, Rhian; Mocerino, Mauro; Skelton, Brian W.; Vaughan, Jamila G.; Ogden, Mark I.; Rohl, Andrew L.","Difference Hirshfeld fingerprint plots: a tool for studying polymorphs","CrystEngComm","2017","19","16","2207","","10.1039/C6CE02535H","","","0.71073","MoKα","","0.038","0.0323","","","0.0827","0.087","","","","","","1.062","","","","has coordinates","196238","2020-10-21","18:00:00",""
"7228223","6.2388","0.0002","8.1434","0.0002","8.6344","0.0003","71.421","0.003","79.6","0.003","85.781","0.002","408.92","0.02","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 Cu N2 O4 -","- C18 H20 Cu N2 O4 -","- C18 H20 Cu N2 O4 -","1","0.5","","Carter, Damien J.; Raiteri, Paolo; Barnard, Keith R.; Gielink, Rhian; Mocerino, Mauro; Skelton, Brian W.; Vaughan, Jamila G.; Ogden, Mark I.; Rohl, Andrew L.","Difference Hirshfeld fingerprint plots: a tool for studying polymorphs","CrystEngComm","2017","19","16","2207","","10.1039/C6CE02535H","","","0.71073","MoKα","","0.0363","0.0324","","","0.0841","0.0865","","","","","","1.065","","","","has coordinates","196238","2020-10-21","18:00:00",""
"7228224","24.3213","0.0008","6.2222","0.0003","16.8774","0.0008","90","","93.894","0.004","90","","2548.19","0.19","299","2","299","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H37 N O3 -","- C26 H37 N O3 -","- C104 H148 N4 O12 -","4","1","","Konieczny, Krzysztof; Bakowicz, Julia; Galica, Tomasz; Siedlecka, Renata; Turowska-Tyrk, Ilona","The reasons for the photochemical behaviour of propylamine 4-(2,4,6-triisopropylbenzoyl)benzoate during the Norrish-Yang reaction","CrystEngComm","2017","","","","","10.1039/C7CE00558J","","","0.71073","MoKα","","0.1106","0.0638","","","0.1479","0.1716","","","","","","1.018","","","","has coordinates,has disorder","196549","2020-10-21","18:00:00",""
"7228225","24.2843","0.0007","6.21701","0.00019","16.8622","0.0006","90","","93.924","0.003","90","","2539.81","0.14","299","2","299","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H37 N O3 -","- C26 H37 N O3 -","- C104 H148 N4 O12 -","4","1","","Konieczny, Krzysztof; Bakowicz, Julia; Galica, Tomasz; Siedlecka, Renata; Turowska-Tyrk, Ilona","The reasons for the photochemical behaviour of propylamine 4-(2,4,6-triisopropylbenzoyl)benzoate during the Norrish-Yang reaction","CrystEngComm","2017","","","","","10.1039/C7CE00558J","","","0.71073","MoKα","","0.1042","0.0641","","","0.1465","0.1685","","","","","","1.04","","","","has coordinates,has disorder","196549","2020-10-21","18:00:00",""
"7228226","24.3127","0.0008","6.2174","0.0002","16.856","0.0006","90","","93.778","0.003","90","","2542.45","0.15","299","2","299","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H37 N O3 -","- C26 H36.926 N O3 -","- C104 H147.704 N4 O12 -","4","1","","Konieczny, Krzysztof; Bakowicz, Julia; Galica, Tomasz; Siedlecka, Renata; Turowska-Tyrk, Ilona","The reasons for the photochemical behaviour of propylamine 4-(2,4,6-triisopropylbenzoyl)benzoate during the Norrish-Yang reaction","CrystEngComm","2017","","","","","10.1039/C7CE00558J","","","0.71073","MoKα","","0.0961","0.0593","","","0.1374","0.156","","","","","","1.048","","","","has coordinates,has disorder","196549","2020-10-21","18:00:00",""
"7228227","23.695","0.008","6","0.009","16.575","0.003","90","","95.5","0.02","90","","2346","4","299","2","299","2","1000000","","1000000","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H37 N O3 -","- C26 H37 N O3 -","- C104 H148 N4 O12 -","4","1","","Konieczny, Krzysztof; Bakowicz, Julia; Galica, Tomasz; Siedlecka, Renata; Turowska-Tyrk, Ilona","The reasons for the photochemical behaviour of propylamine 4-(2,4,6-triisopropylbenzoyl)benzoate during the Norrish-Yang reaction","CrystEngComm","2017","","","","","10.1039/C7CE00558J","","","0.71073","MoKα","","0.2913","0.1252","","","0.3171","0.4152","","","","","","1.025","","","","has coordinates","196549","2020-10-21","18:00:00",""
"7228228","24.429","0.002","6.194","0.0006","16.7949","0.0019","90","","93.294","0.009","90","","2537.1","0.4","299","2","299","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H37 N O3 -","- C26 H36.699 N O3 -","- C104 H146.796 N4 O12 -","4","1","","Konieczny, Krzysztof; Bakowicz, Julia; Galica, Tomasz; Siedlecka, Renata; Turowska-Tyrk, Ilona","The reasons for the photochemical behaviour of propylamine 4-(2,4,6-triisopropylbenzoyl)benzoate during the Norrish-Yang reaction","CrystEngComm","2017","","","","","10.1039/C7CE00558J","","","0.71073","MoKα","","0.1899","0.112","","","0.2751","0.3196","","","","","","1.126","","","","has coordinates,has disorder","196549","2020-10-21","18:00:00",""
"7228230","8.8907","0.0014","21.265","0.0003","14.955","0.0002","90","","90.876","0.0005","90","","2827.1","0.4","93","","93","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H24 Ag B F4 N2 O2.5 -","- C33 H24 Ag B F4 N2 O2.5 -","- C132 H96 Ag4 B4 F16 N8 O10 -","4","1","","Fukushima, Misaki; Kikkawa, Shoko; hikawa, hidemasa; Azumaya, Isao","Synthesis and Solvent Vapor Induced Transformations of Crystals of 1D Coordination Polymer Assembled with Continuous Void Space","CrystEngComm","2017","","","","","10.1039/C7CE00640C","","","0.71075","MoKα","","0.0813","0.0447","","","0.0867","0.102","","","","","","1.055","","","","has coordinates","196565","2020-10-21","18:00:00",""
"7228231","24.235","0.008","5.8077","0.001","16.177","0.005","90","","131.062","0.007","90","","1716.8","0.9","93","","93","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H4 Ag F3 N O2 -","- C8 H4 Ag F3 N O2 -","- C64 H32 Ag8 F24 N8 O16 -","8","1","","Fukushima, Misaki; Kikkawa, Shoko; hikawa, hidemasa; Azumaya, Isao","Synthesis and Solvent Vapor Induced Transformations of Crystals of 1D Coordination Polymer Assembled with Continuous Void Space","CrystEngComm","2017","","","","","10.1039/C7CE00640C","","","0.71075","MoKα","","0.0169","0.0154","","","0.0421","0.0424","","","","","","1.08","","","","has coordinates","196565","2020-10-21","18:00:00",""
"7228232","16.4929","0.0016","12.677","0.0011","11.4596","0.001","90","","90","","90","","2396","0.4","93","","93","","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C27 H18 Ag B Cl2 F4 N2 -","- C27 H18 Ag B Cl2 F4 N2 -","- C108 H72 Ag4 B4 Cl8 F16 N8 -","4","1","","Fukushima, Misaki; Kikkawa, Shoko; hikawa, hidemasa; Azumaya, Isao","Synthesis and Solvent Vapor Induced Transformations of Crystals of 1D Coordination Polymer Assembled with Continuous Void Space","CrystEngComm","2017","","","","","10.1039/C7CE00640C","","","0.71075","MoKα","","0.0191","0.0183","","","0.05","0.0504","","","","","","1.035","","","","has coordinates,has disorder","196565","2020-10-21","18:00:00",""
"7228233","18.5169","0.0019","14.165","0.0015","11.4339","0.0011","90","","90","","90","","2999","0.5","93","","93","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C34 H32 Ag Cl N2 O6 -","- C34 H32 Ag Cl N2 O6 -","- C136 H128 Ag4 Cl4 N8 O24 -","4","1","","Fukushima, Misaki; Kikkawa, Shoko; hikawa, hidemasa; Azumaya, Isao","Synthesis and Solvent Vapor Induced Transformations of Crystals of 1D Coordination Polymer Assembled with Continuous Void Space","CrystEngComm","2017","","","","","10.1039/C7CE00640C","","","0.71075","MoKα","","0.0713","0.0461","","","0.0832","0.0906","","","","","","1.066","","","","has coordinates","196565","2020-10-21","18:00:00",""
"7228234","16.426","0.006","12.656","0.005","11.482","0.004","90","","90","","90","","2387","1.5","93","","93","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C27 H18 Ag Cl3 N2 O4 -","- C27 H18 Ag Cl3 N2 O4 -","- C108 H72 Ag4 Cl12 N8 O16 -","4","1","","Fukushima, Misaki; Kikkawa, Shoko; hikawa, hidemasa; Azumaya, Isao","Synthesis and Solvent Vapor Induced Transformations of Crystals of 1D Coordination Polymer Assembled with Continuous Void Space","CrystEngComm","2017","","","","","10.1039/C7CE00640C","","","0.71075","MoKα","","0.0303","0.0254","","","0.0591","0.0604","","","","","","0.996","","","","has coordinates","196565","2020-10-21","18:00:00",""
"7228235","18.3851","0.0014","14.1175","0.0011","11.4036","0.0009","90","","90","","90","","2959.8","0.4","93","","93","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C34 H32 Ag B F4 N2 O2 -","- C34 H32 Ag B F4 N2 O2 -","- C136 H128 Ag4 B4 F16 N8 O8 -","4","1","","Fukushima, Misaki; Kikkawa, Shoko; hikawa, hidemasa; Azumaya, Isao","Synthesis and Solvent Vapor Induced Transformations of Crystals of 1D Coordination Polymer Assembled with Continuous Void Space","CrystEngComm","2017","","","","","10.1039/C7CE00640C","","","0.71075","MoKα","","0.0318","0.0274","","","0.0585","0.0603","","","","","","1.171","","","","has coordinates","196565","2020-10-21","18:00:00",""
"7228236","22.764","0.006","11.314","0.002","22.613","0.005","90","","109.182","0.004","90","","5501","2","93","","93","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H16 Ag2 F6 N2 O4 -","- C30 H16 Ag2 F6 N2 O4 -","- C240 H128 Ag16 F48 N16 O32 -","8","1","","Fukushima, Misaki; Kikkawa, Shoko; hikawa, hidemasa; Azumaya, Isao","Synthesis and Solvent Vapor Induced Transformations of Crystals of 1D Coordination Polymer Assembled with Continuous Void Space","CrystEngComm","2017","","","","","10.1039/C7CE00640C","","","0.71075","MoKα","","0.0496","0.0368","","","0.0971","0.1047","","","","","","1.052","","","","has coordinates","196565","2020-10-21","18:00:00",""
"7228237","4.7188","0.0006","15.466","0.0014","20.036","0.0018","90","","99.372","0.004","90","","1442.7","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 N2 O8 -","- C13 H17 N2 O8 -","- C52 H68 N8 O32 -","4","1","","Prohens, Rafel; Frontera, Antonio; Portell, Anna; Font-Bardia, Merce; Bauza, Antonio","A combined crystallographic and theoretical study of weak intermolecular interactions in crystalline squaric acid esters and amides","CrystEngComm","2017","","","","","10.1039/C7CE00556C","","","0.71073","MoKα","","0.0471","0.0337","","","0.084","0.0916","","","","","","1.024","","","","has coordinates","196566","2020-10-21","18:00:00",""
"7228238","23.485","0.01","9.632","0.004","47.03","0.019","90","","96.764","0.01","90","","10564","8","303","2","303","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21.6 H25.6 N2 O5.2 S0.8 -","- C21.6 H25.6 N2 O5.2 S0.8 -","- C432 H512 N40 O104 S16 -","20","5","","Prohens, Rafel; Frontera, Antonio; Portell, Anna; Font-Bardia, Merce; Bauza, Antonio","A combined crystallographic and theoretical study of weak intermolecular interactions in crystalline squaric acid esters and amides","CrystEngComm","2017","","","","","10.1039/C7CE00556C","","","0.71073","MoKα","","0.3231","0.0383","","","0.052","0.0856","","","","","","0.703","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7228239","7.1055","0.0013","10.956","0.002","14.797","0.003","90","","118.699","0.007","90","","1010.4","0.3","303","2","303","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 N2 O3 -","- C11 H10 N2 O3 -","- C44 H40 N8 O12 -","4","1","","Prohens, Rafel; Frontera, Antonio; Portell, Anna; Font-Bardia, Merce; Bauza, Antonio","A combined crystallographic and theoretical study of weak intermolecular interactions in crystalline squaric acid esters and amides","CrystEngComm","2017","","","","","10.1039/C7CE00556C","","","0.71073","MoKα","","0.0729","0.0675","","","0.1707","0.1735","","","","","","1.096","","","","has coordinates","196566","2020-10-21","18:00:00",""
"7228240","7.435","0.005","14.028","0.007","12.008","0.006","90","","92.07","0.03","90","","1251.6","1.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C52 H56 N8 O12 -","4","1","","Prohens, Rafel; Frontera, Antonio; Portell, Anna; Font-Bardia, Merce; Bauza, Antonio","A combined crystallographic and theoretical study of weak intermolecular interactions in crystalline squaric acid esters and amides","CrystEngComm","2017","","","","","10.1039/C7CE00556C","","","0.71073","MoKα","","0.0536","0.0475","","","0.1278","0.1312","","","","","","1.16","","","","has coordinates","196566","2020-10-21","18:00:00",""
"7228241","46.922","0.005","6.086","0.004","7.467","0.008","90","","92.72","0.06","90","","2130","3","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C22 H26 N2 O5 -","- C22 H26 N2 O5 -","- C88 H104 N8 O20 -","4","1","","Prohens, Rafel; Frontera, Antonio; Portell, Anna; Font-Bardia, Merce; Bauza, Antonio","A combined crystallographic and theoretical study of weak intermolecular interactions in crystalline squaric acid esters and amides","CrystEngComm","2017","","","","","10.1039/C7CE00556C","","","0.71073","MoKα","","0.1222","0.0758","","","0.2012","0.2424","","","","","","0.973","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7228242","29.8816","0.0012","7.7255","0.0003","21.4941","0.0009","90","","117.245","0.002","90","","4411.4","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H32 Cl Cu4 N12 O16 -","- C36 H28 Cl Cu4 N12 O16 -","- C144 H112 Cl4 Cu16 N48 O64 -","4","0.5","","Zhou, Sheng-Bin; Wang, Xin-Fang; Du, Ceng-Ceng; Wang, Duo-Zhi; Jia, Dianzeng","A series of new mixed-ligand complexes based on 3,6-bis(imidazol-1-yl)pyridazine: syntheses, structures, and catalytic activities","CrystEngComm","2017","","","","","10.1039/C7CE00394C","","","0.71073","MoKα","","0.0431","0.0358","","","0.094","0.0986","","","","","","1.057","","","","has coordinates,has disorder","196567","2020-10-21","18:00:00",""
"7228243","8.4549","0.0003","9.6723","0.0004","12.4874","0.0006","111.413","0.001","90.101","0.001","101.508","0.001","928.48","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H14.5 N6 Ni O5.25 -","- C18 H14.5 N6 Ni O5.25 -","- C36 H29 N12 Ni2 O10.5 -","2","1","","Zhou, Sheng-Bin; Wang, Xin-Fang; Du, Ceng-Ceng; Wang, Duo-Zhi; Jia, Dianzeng","A series of new mixed-ligand complexes based on 3,6-bis(imidazol-1-yl)pyridazine: syntheses, structures, and catalytic activities","CrystEngComm","2017","","","","","10.1039/C7CE00394C","","","0.71073","MoKα","","0.0623","0.0604","","","0.1393","0.1401","","","","","","1.041","","","","has coordinates,has disorder","196567","2020-10-21","18:00:00",""
"7228244","7.409","0.002","16.144","0.005","10.837","0.003","90","","107.531","0.009","90","","1236","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 N14 Ni S2 -","- C22 H16 N14 Ni S2 -","- C44 H32 N28 Ni2 S4 -","2","0.5","","Zhou, Sheng-Bin; Wang, Xin-Fang; Du, Ceng-Ceng; Wang, Duo-Zhi; Jia, Dianzeng","A series of new mixed-ligand complexes based on 3,6-bis(imidazol-1-yl)pyridazine: syntheses, structures, and catalytic activities","CrystEngComm","2017","","","","","10.1039/C7CE00394C","","","0.71073","MoKα","","0.066","0.0447","","","0.0953","0.1063","","","","","","1.038","","","","has coordinates","196567","2020-10-21","18:00:00",""
"7228245","16.979","0.003","24.792","0.005","6.1089","0.0011","90","","90","","90","","2571.5","0.8","273","2","273","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C24 H16 Co N6 O5 -","- C24 H16 Co N6 O5 -","- C96 H64 Co4 N24 O20 -","4","1","","Zhou, Sheng-Bin; Wang, Xin-Fang; Du, Ceng-Ceng; Wang, Duo-Zhi; Jia, Dianzeng","A series of new mixed-ligand complexes based on 3,6-bis(imidazol-1-yl)pyridazine: syntheses, structures, and catalytic activities","CrystEngComm","2017","","","","","10.1039/C7CE00394C","","","0.71073","MoKα","","0.1243","0.0716","","","0.2576","0.2685","","","","","","1.03","","","","has coordinates,has disorder","196567","2020-10-21","18:00:00",""
"7228246","7.6597","0.0011","11.198","0.0016","13.3076","0.0018","110.824","0.004","95.302","0.004","104.344","0.004","1012.9","0.3","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H26 Cu5 N6 O18 -","- C42 H26 Cu5 N6 O18 -","- C42 H26 Cu5 N6 O18 -","1","0.5","","Zhou, Sheng-Bin; Wang, Xin-Fang; Du, Ceng-Ceng; Wang, Duo-Zhi; Jia, Dianzeng","A series of new mixed-ligand complexes based on 3,6-bis(imidazol-1-yl)pyridazine: syntheses, structures, and catalytic activities","CrystEngComm","2017","","","","","10.1039/C7CE00394C","","","0.71073","MoKα","","0.0547","0.0403","","","0.0834","0.0901","","","","","","1.025","","","","has coordinates,has disorder","196567","2020-10-21","18:00:00",""
"7228247","6.8758","0.0003","10.5245","0.0005","21.6313","0.0009","80.501","0.001","84.03","0.001","72.161","0.001","1467.26","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 Cu2 N8 O10 -","- C24 H18 Cu2 N8 O10 -","- C48 H36 Cu4 N16 O20 -","2","1","","Zhou, Sheng-Bin; Wang, Xin-Fang; Du, Ceng-Ceng; Wang, Duo-Zhi; Jia, Dianzeng","A series of new mixed-ligand complexes based on 3,6-bis(imidazol-1-yl)pyridazine: syntheses, structures, and catalytic activities","CrystEngComm","2017","","","","","10.1039/C7CE00394C","","","0.71073","MoKα","","0.0424","0.0342","","","0.1286","0.1463","","","","","","0.957","","","","has coordinates","196567","2020-10-21","18:00:00",""
"7228248","10.5905","0.0005","11.7646","0.0005","13.5378","0.0006","105.336","0.001","105.428","0.001","106.856","0.001","1445.46","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H22 Co N6 O14 -","- C28 H22 Co N6 O14 -","- C56 H44 Co2 N12 O28 -","2","1","","Zhou, Sheng-Bin; Wang, Xin-Fang; Du, Ceng-Ceng; Wang, Duo-Zhi; Jia, Dianzeng","A series of new mixed-ligand complexes based on 3,6-bis(imidazol-1-yl)pyridazine: syntheses, structures, and catalytic activities","CrystEngComm","2017","","","","","10.1039/C7CE00394C","","","0.71073","MoKα","","0.051","0.0372","","","0.0963","0.1068","","","","","","0.995","","","","has coordinates,has disorder","196567","2020-10-21","18:00:00",""
"7228253","20.777","0.002","11.6382","0.0009","23.8738","0.0017","90","","90.074","0.007","90","","5772.8","0.8","123","","123","","","","","","","","Max Klein","6","C 1 2/c 1","-C 2yc","15","","","","- C58 H72 Cl4 N6 O4 Zn2 -","- C58 H72 Cl4 N6 O4 Zn2 -","- C232 H288 Cl16 N24 O16 Zn8 -","4","0.5","","Housecroft, Catherine E.; Constable, Edwin C.; Klein, Maximilian; Neuburger, Markus; Prescimone, Alessandro","What a difference a tail makes: 2D→2D parallel interpenetration of sheets to interpenetrated nbo networks using ditopic-4,2':6',4''-terpyridine ligands","CrystEngComm","2017","","","","","10.1039/C7CE00686A","","","1.54178","CuKα","","0.0749","0.0726","","0.1726","0.1722","0.1726","","","","","","0.7625","","","","has coordinates,has disorder","196605","2020-10-21","18:00:00",""
"7228254","35.9593","0.0006","35.9593","0.0006","25.1227","0.0003","90","","90","","120","","28133.2","0.7","123","","123","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C54 H44 Br4 N6 O3 Zn2 -","- C54 H44 Br4 N6 O3 Zn2 -","- C486 H396 Br36 N54 O27 Zn18 -","9","0.5","","Housecroft, Catherine E.; Constable, Edwin C.; Klein, Maximilian; Neuburger, Markus; Prescimone, Alessandro","What a difference a tail makes: 2D→2D parallel interpenetration of sheets to interpenetrated nbo networks using ditopic-4,2':6',4''-terpyridine ligands","CrystEngComm","2017","","","","","10.1039/C7CE00686A","","","1.34143","GaKα","","0.1242","0.0898","","0.0924","0.0719","0.071","","","","","","0.9393","","","","has coordinates","196605","2020-10-21","18:00:00",""
"7228255","20.4985","0.0009","11.6491","0.0003","23.7457","0.001","90","","91.737","0.004","90","","5667.6","0.4","123","","123","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H48 Cl4 N6 O2 Zn2 -","- C48 H48 Cl4 N6 O2 Zn2 -","- C192 H192 Cl16 N24 O8 Zn8 -","4","0.5","","Housecroft, Catherine E.; Constable, Edwin C.; Klein, Maximilian; Neuburger, Markus; Prescimone, Alessandro","What a difference a tail makes: 2D→2D parallel interpenetration of sheets to interpenetrated nbo networks using ditopic-4,2':6',4''-terpyridine ligands","CrystEngComm","2017","","","","","10.1039/C7CE00686A","","","1.34143","GaKα","","0.0676","0.0451","","0.0578","0.051","0.051","","","","","","0.8726","","","","has coordinates","196605","2020-10-21","18:00:00",""
"7228259","9.5715","0.0009","10.1208","0.001","11.698","0.0013","113.409","0.01","101.145","0.009","105.464","0.008","943.2","0.2","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H12 O16 Tb -","- C12 H6 O16 Tb -","- C24 H12 O32 Tb2 -","2","1","","Anderson, Samantha; Gladysiak, Andrzej; Boyd, Peter G.; Ireland, Christopher; Miéville, Pascal; tiana, davide; Vlaisavljevich, Bess; Schouwink, Pascal; van Beek, Wouter; Gagnon, Kevin J.; Smit, Berend; Stylianou, Kyriakos","Formation Pathways of Metal Organic Frameworks Proceeding Through Partial Dissolution of the Metastable Phase","CrystEngComm","2017","","","","","10.1039/C7CE00589J","","x-ray","0.7153","synchrotron","","0.1008","0.077","","","0.1941","0.2209","","","","","","1.064","","","","has coordinates","196712","2020-10-21","18:00:00",""
"7228260","13.388","0.003","6.6366","0.0012","15.567","0.002","90","","98.599","0.014","90","","1367.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 N O7 Tb -","- C11 H10 N O7 Tb -","- C44 H40 N4 O28 Tb4 -","4","1","","Anderson, Samantha; Gladysiak, Andrzej; Boyd, Peter G.; Ireland, Christopher; Miéville, Pascal; tiana, davide; Vlaisavljevich, Bess; Schouwink, Pascal; van Beek, Wouter; Gagnon, Kevin J.; Smit, Berend; Stylianou, Kyriakos","Formation Pathways of Metal Organic Frameworks Proceeding Through Partial Dissolution of the Metastable Phase","CrystEngComm","2017","","","","","10.1039/C7CE00589J","","","0.71073","MoKα","","0.0681","0.0369","","","0.0496","0.0552","","","","","","1.055","","","","has coordinates,has disorder","196712","2020-10-21","18:00:00",""
"7228261","12.372","0.001","6.5373","0.0004","16.4809","0.0012","90","","99.121","0.005","90","","1316.11","0.17","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H11 O11 Tb -","- C8 H3 O11 Tb -","- C32 H12 O44 Tb4 -","4","1","","Anderson, Samantha; Gladysiak, Andrzej; Boyd, Peter G.; Ireland, Christopher; Miéville, Pascal; tiana, davide; Vlaisavljevich, Bess; Schouwink, Pascal; van Beek, Wouter; Gagnon, Kevin J.; Smit, Berend; Stylianou, Kyriakos","Formation Pathways of Metal Organic Frameworks Proceeding Through Partial Dissolution of the Metastable Phase","CrystEngComm","2017","","","","","10.1039/C7CE00589J","","","0.7749","synchrotron","","0.1247","0.1081","","","0.2569","0.2649","","","","","","1.166","","","","has coordinates","196712","2020-10-21","18:00:00",""
"7228262","10.4608","0.0008","10.9006","0.001","12.5293","0.001","104.61","0.005","107.84","0.004","97.204","0.004","1283.78","0.19","150","2","149.72","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N3 O12 Tb -","- C21 H27 N3 O12 Tb -","- C42 H54 N6 O24 Tb2 -","2","1","","Anderson, Samantha; Gladysiak, Andrzej; Boyd, Peter G.; Ireland, Christopher; Miéville, Pascal; tiana, davide; Vlaisavljevich, Bess; Schouwink, Pascal; van Beek, Wouter; Gagnon, Kevin J.; Smit, Berend; Stylianou, Kyriakos","Formation Pathways of Metal Organic Frameworks Proceeding Through Partial Dissolution of the Metastable Phase","CrystEngComm","2017","","","","","10.1039/C7CE00589J","","","0.71073","MoKα","","0.0211","0.018","","","0.0421","0.0433","","","","","","1.08","","","","has coordinates,has disorder","196712","2020-10-21","18:00:00",""
"7228263","7.6439","0.0007","11.271","0.002","13.576","0.003","67.807","0.018","79.669","0.011","81.247","0.011","1060.8","0.3","130","0.1","130","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C12 H10 N4 O -","- C12 H10 N4 O -","- C48 H40 N16 O4 -","4","2","","Mahmoudi, Ghodrat; Khandar, AliAkbar; White, Jonathan; Mitoraj, Mariusz Paweł; Sekhar Jena, Himanshu; Van Der Voort, Pascal; Qureshi, Naseem; Kirillov, Alexander; Robeyns, Koen; Safin, Damir","Polar protic solvent-trapping polymorphism of the HgII-hydrazone coordination polymer: experimental and theoretical findings","CrystEngComm","2017","","","","","10.1039/C7CE00626H","","","0.7107","MoKα","","0.0506","0.0398","","","0.0969","0.107","","","","","","1.046","","","","has coordinates","196713","2020-10-21","18:00:00",""
"7228264","8.236","0.0002","14.482","0.0003","14.053","0.0002","90","","97.015","0.002","90","","1663.61","0.06","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 Hg N7 O2 -","- C14 H15 Hg N7 O2 -","- C56 H60 Hg4 N28 O8 -","4","1","","Mahmoudi, Ghodrat; Khandar, AliAkbar; White, Jonathan; Mitoraj, Mariusz Paweł; Sekhar Jena, Himanshu; Van Der Voort, Pascal; Qureshi, Naseem; Kirillov, Alexander; Robeyns, Koen; Safin, Damir","Polar protic solvent-trapping polymorphism of the HgII-hydrazone coordination polymer: experimental and theoretical findings","CrystEngComm","2017","","","","","10.1039/C7CE00626H","","","1.5418","CuKα","","0.0265","0.0225","","","0.05","0.0519","","","","","","1.033","","","","has coordinates","196713","2020-10-21","18:00:00",""
"7228265","14.4728","0.0011","14.4895","0.0012","16.2609","0.0012","90","","90","","90","","3410","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H17 Hg N7 O3 -","- C14 H17 Hg N7 O3 -","- C112 H136 Hg8 N56 O24 -","8","1","","Mahmoudi, Ghodrat; Khandar, AliAkbar; White, Jonathan; Mitoraj, Mariusz Paweł; Sekhar Jena, Himanshu; Van Der Voort, Pascal; Qureshi, Naseem; Kirillov, Alexander; Robeyns, Koen; Safin, Damir","Polar protic solvent-trapping polymorphism of the HgII-hydrazone coordination polymer: experimental and theoretical findings","CrystEngComm","2017","","","","","10.1039/C7CE00626H","","","0.71073","MoKα","","0.0378","0.021","","","0.041","0.0457","","","","","","1.033","","","","has coordinates","196713","2020-10-21","18:00:00",""
"7228266","8.1973","0.0002","14.0633","0.0003","14.2839","0.0003","90","","96.485","0.002","90","","1636.13","0.06","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Hg N7 O1.5 -","- C14 H14 Hg N7 O1.5 -","- C56 H56 Hg4 N28 O6 -","4","1","","Mahmoudi, Ghodrat; Khandar, AliAkbar; White, Jonathan; Mitoraj, Mariusz Paweł; Sekhar Jena, Himanshu; Van Der Voort, Pascal; Qureshi, Naseem; Kirillov, Alexander; Robeyns, Koen; Safin, Damir","Polar protic solvent-trapping polymorphism of the HgII-hydrazone coordination polymer: experimental and theoretical findings","CrystEngComm","2017","","","","","10.1039/C7CE00626H","","","1.54184","CuKα","","0.0238","0.0187","","","0.0417","0.0436","","","","","","1.064","","","","has coordinates,has disorder","196713","2020-10-21","18:00:00",""
"7228267","14.9694","0.0008","12.3482","0.0006","15.9191","0.0011","90","","90","","90","","2942.6","0.3","292","2","292","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","36G","36G","","- C24 H20 Hg2 N14 O3 -","- C24 H20 Hg2 N14 O3 -","- C96 H80 Hg8 N56 O12 -","4","0.5","","Mahmoudi, Ghodrat; Khandar, AliAkbar; White, Jonathan; Mitoraj, Mariusz Paweł; Sekhar Jena, Himanshu; Van Der Voort, Pascal; Qureshi, Naseem; Kirillov, Alexander; Robeyns, Koen; Safin, Damir","Polar protic solvent-trapping polymorphism of the HgII-hydrazone coordination polymer: experimental and theoretical findings","CrystEngComm","2017","","","","","10.1039/C7CE00626H","","","0.71073","MoKα","","0.1053","0.0465","","","0.1131","0.1453","","","","","","0.958","","","","has coordinates","196713","2020-10-21","18:00:00",""
"7228268","10.3282","0.0015","14.3823","0.0017","11.7472","0.0016","90","","99.721","0.007","90","","1719.9","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 Hg N7 O2 -","- C15 H17 Hg N7 O2 -","- C60 H68 Hg4 N28 O8 -","4","1","","Mahmoudi, Ghodrat; Khandar, AliAkbar; White, Jonathan; Mitoraj, Mariusz Paweł; Sekhar Jena, Himanshu; Van Der Voort, Pascal; Qureshi, Naseem; Kirillov, Alexander; Robeyns, Koen; Safin, Damir","Polar protic solvent-trapping polymorphism of the HgII-hydrazone coordination polymer: experimental and theoretical findings","CrystEngComm","2017","","","","","10.1039/C7CE00626H","","","0.71073","MoKα","","0.1663","0.0619","","","0.1019","0.1253","","","","","","1.02","","","","has coordinates,has disorder","196713","2020-10-21","18:00:00",""
"7228269","7.17009","0.00012","13.9391","0.0002","25.7472","0.0004","90","","90","","90","","2573.29","0.07","100","0.1","100","0.1","","","","","","","yes","3","P 21 21 21","P 2ac 2ab","19","Procyanidyn A2","(2R,3R,8S,14R,15R)-2,8-bis(3,4-dihydroxyphenyl)-2,3,4,14-tetrahydro-8,14-methanobenzo[7,8][1,3]dioxocino[4,5-h]chromene-3,5,11,13,15-pentaol","","- C30 H28 O14 -","- C30 H28 O14 -","- C120 H112 O56 -","4","1","","Dudek, Marta K.; Bujacz, Grzegorz; Potrzebowski, Marek J.","Experimental tests for quality validation of computationally predicted crystal structures ‒ a case of a conformationally flexible procyanidin A-2 dihydrate","CrystEngComm","2017","","","","","10.1039/C7CE00618G","","x-ray","1.54184","CuKα","","0.0358","0.0343","","","0.0914","0.0931","","","","","","1.041","","","","has coordinates","204140","2020-10-21","18:00:00",""
"7228270","31.0977","0.0016","31.0977","0.0016","31.0977","0.0016","90","","90","","90","","30074","3","293","2","293","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","","","","- C26 H11 Cu2 N O9 -","- C26 H11 Cu2 N O9 -","- C624 H264 Cu48 N24 O216 -","24","0.25","","Du, Liting; Zhang, Jinchi; Lu, Zhiyong; Duan, Jingui; Xu, Li","A New Methyl-embedded (3,36)-connected Txt-type Metal-Organic Framework Exhibiting High H2 Adsorption Property","CrystEngComm","2017","","","","","10.1039/C7CE00461C","","","0.71073","MoKα","","0.102","0.0539","","","0.1382","0.1491","","","","","","1.054","","","","has coordinates","196715","2020-10-21","18:00:00",""
"7228271","13.0499","0.0009","6.4263","0.0004","10.3169","0.0007","90","","92.655","0.006","90","","864.27","0.1","169.9","0.4","169.9","0.4","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C16 H18 N4 O6 -","- C16 H18 N4 O6 -","- C32 H36 N8 O12 -","2","1","","Covaci, Ovidiu Ilie; Mitran, Raul - Augustin Augustin; Buhalteanu, Lucian; Dumitrescu, Dan; Sova, Sergiu; Manta, Corina Mihaela","Bringing new life into old drugs. A case study on nifuroxazide polymorphism","CrystEngComm","2017","","","","","10.1039/C7CE00303J","","","0.71073","MoKα","","0.0583","0.0492","","","0.1165","0.1264","","","","","","1.038","","","","has coordinates","196716","2020-10-21","18:00:00",""
"7228272","7.7327","0.0007","10.8661","0.0007","38.348","0.003","90","","93.185","0.007","90","","3217.2","0.4","170","0.1","170","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 N3 O6.5 S -","- C14 H16 N3 O6.5 S -","- C112 H128 N24 O52 S8 -","8","2","","Covaci, Ovidiu Ilie; Mitran, Raul - Augustin Augustin; Buhalteanu, Lucian; Dumitrescu, Dan; Sova, Sergiu; Manta, Corina Mihaela","Bringing new life into old drugs. A case study on nifuroxazide polymorphism","CrystEngComm","2017","","","","","10.1039/C7CE00303J","","","0.71073","MoKα","","0.0982","0.0597","","","0.0924","0.1067","","","","","","1.024","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7228273","6.9119","0.0008","11.5956","0.0017","15.219","0.002","78.832","0.012","81.329","0.011","75.997","0.012","1154.2","0.3","170.2","0.4","170.2","0.4","","","","","","","","4","P -1","-P 1","2","","","","- C22 H27 N5 O7 -","- C22 H27 N5 O7 -","- C44 H54 N10 O14 -","2","1","","Covaci, Ovidiu Ilie; Mitran, Raul - Augustin Augustin; Buhalteanu, Lucian; Dumitrescu, Dan; Sova, Sergiu; Manta, Corina Mihaela","Bringing new life into old drugs. A case study on nifuroxazide polymorphism","CrystEngComm","2017","","","","","10.1039/C7CE00303J","","","0.71073","MoKα","","0.1286","0.0916","","","0.2269","0.2584","","","","","","1.008","","","","has coordinates","196716","2020-10-21","18:00:00",""
"7228274","14.1519","0.0003","17.9729","0.0004","8.0831","0.0002","90","","97.051","0.002","90","","2040.39","0.08","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H40 Hg2 I4 N4 O4 -","- C32 H40 Hg2 I4 N4 O4 -","- C64 H80 Hg4 I8 N8 O8 -","2","0.5","","Mahmoudi, Ghodrat; Zangrando, Ennio; Bauza, Antonio; Maniukiewicz, Waldemar; Carballo, Rosa; Gurbanov, Atash V.; Frontera, Antonio","Molecular and crystalline architectures based on HgI2: from metallamacrocycles to coordination polymer","CrystEngComm","2017","","","","","10.1039/C7CE00628D","","","1.54184","CuKα","","0.0475","0.0311","","","0.0596","0.0664","","","","","","1.031","","","","has coordinates","196717","2020-10-21","18:00:00",""
"7228275","16.861","0.002","8.7293","0.0008","21.76","0.002","90","","90","","90","","3202.7","0.6","173","2","173","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C12 H11 Hg I2 N3 -","- C12 H11 Hg I2 N3 -","- C96 H88 Hg8 I16 N24 -","8","1","","Mahmoudi, Ghodrat; Zangrando, Ennio; Bauza, Antonio; Maniukiewicz, Waldemar; Carballo, Rosa; Gurbanov, Atash V.; Frontera, Antonio","Molecular and crystalline architectures based on HgI2: from metallamacrocycles to coordination polymer","CrystEngComm","2017","","","","","10.1039/C7CE00628D","","x-ray","0.71069","MoKα","","0.125","0.0742","","","0.2121","0.238","","","","","","1.009","","","","has coordinates","196717","2020-10-21","18:00:00",""
"7228276","8.6824","0.0013","20.009","0.003","8.9455","0.0013","90","","107.123","0.003","90","","1485.2","0.4","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H32 N6 O6 -","- C30 H32 N6 O6 -","- C60 H64 N12 O12 -","2","1","","Mahmoudi, Ghodrat; Zangrando, Ennio; Bauza, Antonio; Maniukiewicz, Waldemar; Carballo, Rosa; Gurbanov, Atash V.; Frontera, Antonio","Molecular and crystalline architectures based on HgI2: from metallamacrocycles to coordination polymer","CrystEngComm","2017","","","","","10.1039/C7CE00628D","","","0.71073","MoKα","","0.0676","0.043","","","0.097","0.1138","","","","","","1.055","","","","has coordinates","196717","2020-10-21","18:00:00",""
"7228277","10.151","0.01","11.85","0.02","15.41","0.018","81.36","0.14","89.39","0.09","87.3","0.13","1831","4","293","2","293","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C48 H40 Hg4 I8 N16 O4 -","- C48 H40 Hg4 I8 N16 O4 -","- C48 H40 Hg4 I8 N16 O4 -","1","0.5","","Mahmoudi, Ghodrat; Zangrando, Ennio; Bauza, Antonio; Maniukiewicz, Waldemar; Carballo, Rosa; Gurbanov, Atash V.; Frontera, Antonio","Molecular and crystalline architectures based on HgI2: from metallamacrocycles to coordination polymer","CrystEngComm","2017","","","","","10.1039/C7CE00628D","","x-ray","0.71073","MoKα","","0.1762","0.102","","","0.2366","0.271","","","","","","0.946","","","","has coordinates","196717","2020-10-21","18:00:00",""
"7228278","11.0638","0.0018","12.0651","0.0018","14.522","0.002","72.328","0.003","69.217","0.003","84.581","0.003","1726.6","0.5","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H64 Hg2 I4 N12 O12 -","- C60 H64 Hg2 I4 N12 O12 -","- C60 H64 Hg2 I4 N12 O12 -","1","0.5","","Mahmoudi, Ghodrat; Zangrando, Ennio; Bauza, Antonio; Maniukiewicz, Waldemar; Carballo, Rosa; Gurbanov, Atash V.; Frontera, Antonio","Molecular and crystalline architectures based on HgI2: from metallamacrocycles to coordination polymer","CrystEngComm","2017","","","","","10.1039/C7CE00628D","","","0.71073","MoKα","","0.1038","0.0525","","","0.1397","0.2274","","","","","","1.048","","","","has coordinates","196717","2020-10-21","18:00:00",""
"7228286","21.9879","0.0009","19.3316","0.0007","9.2168","0.0004","90","","101.864","0.0015","90","","3834","0.3","193","","193","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H80 Li2 N4 O38 V10 -","- C40 H92 Li2 N4 O38 V10 -","- C80 H184 Li4 N8 O76 V20 -","2","0.5","","Kiyota, Yoshiki; Taira, Minako; Otobe, Saki; Hanyuda, Koji; Naruke, Haruo; Ito, Takeru","Compositional introduction of lithium ions into conductive polyoxovanadate‒surfactant hybrid crystals","CrystEngComm","2017","","","","","10.1039/C7CE00595D","","","0.71075","MoKα","","0.0834","0.0703","","","0.1563","0.162","","","","","","1.098","","","","has coordinates","196889","2020-10-21","18:00:00",""
"7228287","20.882","0.002","18.186","0.002","10.2629","0.0012","90","","94.447","0.004","90","","3885.7","0.7","193","","193","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H124 N6 O30 V10 -","- C48 H120 N6 O30 V10 -","- C96 H240 N12 O60 V20 -","2","0.5","","Kiyota, Yoshiki; Taira, Minako; Otobe, Saki; Hanyuda, Koji; Naruke, Haruo; Ito, Takeru","Compositional introduction of lithium ions into conductive polyoxovanadate‒surfactant hybrid crystals","CrystEngComm","2017","","","","","10.1039/C7CE00595D","","","0.71075","MoKα","","0.0774","0.0565","","","0.1396","0.1517","","","","","","1.056","","","","has coordinates","196889","2020-10-21","18:00:00",""
"7228290","9.7601","0.0019","10.129","0.002","13.161","0.003","103.634","0.004","90.513","0.004","95.06","0.004","1258.9","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H38 Mn2 N6 O10 -","- C46 H38 Mn2 N6 O10 -","- C46 H38 Mn2 N6 O10 -","1","0.5","","Ding, Tao; Wang, Xiao-Xian; Zhang, Meng; Ou, Si-Meng; Hu, Tian-Ju","Four new coordination polymers based on a pyridinetetracarboxylate ligand: Syntheses, structures and high CO2/CH4 separation","CrystEngComm","2017","","","","","10.1039/C7CE00535K","","","0.71073","MoKα","","0.0917","0.0813","","","0.2272","0.2362","","","","","","1.057","","","","has coordinates,has disorder","196919","2020-10-21","18:00:00",""
"7228291","28.298","0.006","9.913","0.002","10.478","0.002","90","","107.775","0.003","90","","2799","1","296","2","296","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C11 H7 Cd0.75 O5 -","- C11 H7 Cd0.75 O5 -","- C88 H56 Cd6 O40 -","8","1","","Ding, Tao; Wang, Xiao-Xian; Zhang, Meng; Ou, Si-Meng; Hu, Tian-Ju","Four new coordination polymers based on a pyridinetetracarboxylate ligand: Syntheses, structures and high CO2/CH4 separation","CrystEngComm","2017","","","","","10.1039/C7CE00535K","","","0.71073","MoKα","","0.0504","0.0464","","","0.153","0.1573","","","","","","1.062","","","","has coordinates,has disorder","196919","2020-10-21","18:00:00",""
"7228292","10.208","0.004","28.445","0.01","18.358","0.006","90","","90.818","0.007","90","","5330","3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H9 O8 Zn1.5 -","- C22 H9 O8 Zn1.5 -","- C176 H72 O64 Zn12 -","8","1","","Ding, Tao; Wang, Xiao-Xian; Zhang, Meng; Ou, Si-Meng; Hu, Tian-Ju","Four new coordination polymers based on a pyridinetetracarboxylate ligand: Syntheses, structures and high CO2/CH4 separation","CrystEngComm","2017","","","","","10.1039/C7CE00535K","","","0.71073","MoKα","","0.0768","0.062","","","0.1663","0.1734","","","","","","1.057","","","","has coordinates,has disorder","196919","2020-10-21","18:00:00",""
"7228293","18.338","0.013","20.09","0.014","18.933","0.014","90","","96.929","0.012","90","","6924","9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H19 N4 O4 Zn -","- C29 H19 N4 O4 Zn -","- C232 H152 N32 O32 Zn8 -","8","1","","Ding, Tao; Wang, Xiao-Xian; Zhang, Meng; Ou, Si-Meng; Hu, Tian-Ju","Four new coordination polymers based on a pyridinetetracarboxylate ligand: Syntheses, structures and high CO2/CH4 separation","CrystEngComm","2017","","","","","10.1039/C7CE00535K","","","0.71073","MoKα","","0.0748","0.0509","","","0.1543","0.1629","","","","","","1.083","","","","has coordinates,has disorder","196919","2020-10-21","18:00:00",""
"7228307","11.9557","0.0004","13.5378","0.0005","9.0424","0.0003","90","","99.981","0.002","90","","1441.4","0.09","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","5-(2,6-dichlorobenzyl)-1,3,4-oxadiazole-2(3H)-thione, dimethyl sulfoxide solvate","","- C11 H12 Cl2 N2 O2 S2 -","- C11 H12 Cl2 N2 O2 S2 -","- C44 H48 Cl8 N8 O8 S8 -","4","1","","shukla, rahul; Khan, Imtiaz; Ibrar, Aliya; Simpson, Jim; Chopra, Deepak","Complex Electronic interplay of -hole and π-hole interactions in crystals of halogen substituted 1,3,4-oxadiazol-2(3H)-thiones","CrystEngComm","2017","","","","","10.1039/C7CE00678K","","","0.71073","MoKα","","0.0382","0.0292","","","0.0731","0.0778","","","","","","1.077","","","","has coordinates","196955","2020-10-21","18:00:00",""
"7228308","12.786","0.0005","12.8784","0.0005","13.352","0.0006","90","","116.878","0.002","90","","1961.07","0.14","91","2","91","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H7 Cl N2 O S -","- C9 H7 Cl N2 O S -","- C72 H56 Cl8 N16 O8 S8 -","8","2","","shukla, rahul; Khan, Imtiaz; Ibrar, Aliya; Simpson, Jim; Chopra, Deepak","Complex Electronic interplay of -hole and π-hole interactions in crystals of halogen substituted 1,3,4-oxadiazol-2(3H)-thiones","CrystEngComm","2017","","","","","10.1039/C7CE00678K","","","0.71073","MoKα","","0.0535","0.0413","","","0.1104","0.116","","","","","","1.1","","","","has coordinates","196955","2020-10-21","18:00:00",""
"7228309","4.7154","0.0004","11.7528","0.0009","17.8887","0.0016","90","","90.015","0.004","90","","991.38","0.14","92","2","92","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H7 Br N2 O S -","- C9 H7 Br N2 O S -","- C36 H28 Br4 N8 O4 S4 -","4","1","","shukla, rahul; Khan, Imtiaz; Ibrar, Aliya; Simpson, Jim; Chopra, Deepak","Complex Electronic interplay of -hole and π-hole interactions in crystals of halogen substituted 1,3,4-oxadiazol-2(3H)-thiones","CrystEngComm","2017","","","","","10.1039/C7CE00678K","","","0.71073","MoKα","","0.0471","0.0275","","","0.0595","0.062","","","","","","0.924","","","","has coordinates","196955","2020-10-21","18:00:00",""
"7228310","4.8187","0.0003","9.755","0.0006","20.3555","0.0013","90","","90","","90","","956.84","0.1","93","2","93","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H7 Cl N2 O S -","- C9 H7 Cl N2 O S -","- C36 H28 Cl4 N8 O4 S4 -","4","1","","shukla, rahul; Khan, Imtiaz; Ibrar, Aliya; Simpson, Jim; Chopra, Deepak","Complex Electronic interplay of -hole and π-hole interactions in crystals of halogen substituted 1,3,4-oxadiazol-2(3H)-thiones","CrystEngComm","2017","","","","","10.1039/C7CE00678K","","","0.71073","MoKα","","0.0297","0.0264","","","0.0661","0.0677","","","","","","1.056","","","","has coordinates","196955","2020-10-21","18:00:00",""
"7228312","6.9","0.0014","9.831","0.002","10.739","0.002","96.01","0.03","106.05","0.03","102.06","0.03","674.3","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H10 Cl N4 O5 S -","- C9 H10 Cl N4 O5 S -","- C18 H20 Cl2 N8 O10 S2 -","2","1","","Luo, Yang-Hui; Wang, Jin-Wen; Li, Yao-Jia; Chen, Chen; An, Pei-Jing; Wang, Senlin; You, Chao-Qun; Sun, Baiwang","Selective separation of aqueous sulfate anions via crystallization of sulfate-water clusters","CrystEngComm","2017","","","","","10.1039/C7CE00693D","","","0.71073","MoKα","","0.1113","0.0746","","","0.1681","0.1884","","","","","","1.002","","","","has coordinates","196985","2020-10-21","18:00:00",""
"7228313","6.77","0.0014","20.084","0.004","16.848","0.003","90","","101.5","0.03","90","","2244.8","0.8","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C18 H22 N8 O8 S -","- C18 H22 N8 O8 S -","- C72 H88 N32 O32 S4 -","4","1","","Luo, Yang-Hui; Wang, Jin-Wen; Li, Yao-Jia; Chen, Chen; An, Pei-Jing; Wang, Senlin; You, Chao-Qun; Sun, Baiwang","Selective separation of aqueous sulfate anions via crystallization of sulfate-water clusters","CrystEngComm","2017","","","","","10.1039/C7CE00693D","","","0.71073","MoKα","","0.1002","0.0548","","","0.1059","0.1243","","","","","","1.002","","","","has coordinates","196985","2020-10-21","18:00:00",""
"7228314","7.144","0.0014","18.168","0.004","9.376","0.0019","90","","104.84","0.03","90","","1176.3","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H11 N5 O5 -","- C9 H11 N5 O5 -","- C36 H44 N20 O20 -","4","1","","Luo, Yang-Hui; Wang, Jin-Wen; Li, Yao-Jia; Chen, Chen; An, Pei-Jing; Wang, Senlin; You, Chao-Qun; Sun, Baiwang","Selective separation of aqueous sulfate anions via crystallization of sulfate-water clusters","CrystEngComm","2017","","","","","10.1039/C7CE00693D","","","0.71073","MoKα","","0.1022","0.0661","","","0.1644","0.1848","","","","","","1.004","","","","has coordinates","196985","2020-10-21","18:00:00",""
"7228315","7.0119","0.0014","20.686","0.004","16.829","0.003","90","","90","","90","","2441","0.8","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C20 H24 N8 O9 S -","- C20 H24 N8 O9 S -","- C80 H96 N32 O36 S4 -","4","0.5","","Luo, Yang-Hui; Wang, Jin-Wen; Li, Yao-Jia; Chen, Chen; An, Pei-Jing; Wang, Senlin; You, Chao-Qun; Sun, Baiwang","Selective separation of aqueous sulfate anions via crystallization of sulfate-water clusters","CrystEngComm","2017","","","","","10.1039/C7CE00693D","","","0.71073","MoKα","","0.1396","0.0891","","","0.2198","0.2496","","","","","","1.094","","","","has coordinates","196985","2020-10-21","18:00:00",""
"7228316","8.8062","0.0018","17.518","0.004","8.1176","0.0016","90","","103.15","0.03","90","","1219.4","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 N5 O5 -","- C10 H11 N5 O5 -","- C40 H44 N20 O20 -","4","1","","Luo, Yang-Hui; Wang, Jin-Wen; Li, Yao-Jia; Chen, Chen; An, Pei-Jing; Wang, Senlin; You, Chao-Qun; Sun, Baiwang","Selective separation of aqueous sulfate anions via crystallization of sulfate-water clusters","CrystEngComm","2017","","","","","10.1039/C7CE00693D","","","0.71073","MoKα","","0.1555","0.0875","","","0.1798","0.2043","","","","","","1.169","","","","has coordinates","196985","2020-10-21","18:00:00",""
"7228317","8.011","0.0016","11.071","0.002","13.968","0.003","100.75","0.03","91.99","0.03","108.46","0.03","1148.6","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H21 Cl N8 O8 -","- C20 H21 Cl N8 O8 -","- C40 H42 Cl2 N16 O16 -","2","1","","Luo, Yang-Hui; Wang, Jin-Wen; Li, Yao-Jia; Chen, Chen; An, Pei-Jing; Wang, Senlin; You, Chao-Qun; Sun, Baiwang","Selective separation of aqueous sulfate anions via crystallization of sulfate-water clusters","CrystEngComm","2017","","","","","10.1039/C7CE00693D","","","0.71073","MoKα","","0.0863","0.0581","","","0.1522","0.1712","","","","","","1.059","","","","has coordinates","196985","2020-10-21","18:00:00",""
"7228318","7.187","0.0014","16.366","0.003","10.661","0.002","90","","95.43","0.03","90","","1248.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 Cl N4 O5 -","- C9 H9 Cl N4 O5 -","- C36 H36 Cl4 N16 O20 -","4","1","","Luo, Yang-Hui; Wang, Jin-Wen; Li, Yao-Jia; Chen, Chen; An, Pei-Jing; Wang, Senlin; You, Chao-Qun; Sun, Baiwang","Selective separation of aqueous sulfate anions via crystallization of sulfate-water clusters","CrystEngComm","2017","","","","","10.1039/C7CE00693D","","","0.71073","MoKα","","0.215","0.0904","","","0.1664","0.2116","","","","","","0.973","","","","has coordinates","196985","2020-10-21","18:00:00",""
"7228319","6.867","0.0014","9.843","0.002","10.687","0.002","96.32","0.03","105.85","0.03","99.25","0.03","676.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H13 N4 O5 S -","- C10 H13 N4 O5 S -","- C20 H26 N8 O10 S2 -","2","1","","Luo, Yang-Hui; Wang, Jin-Wen; Li, Yao-Jia; Chen, Chen; An, Pei-Jing; Wang, Senlin; You, Chao-Qun; Sun, Baiwang","Selective separation of aqueous sulfate anions via crystallization of sulfate-water clusters","CrystEngComm","2017","","","","","10.1039/C7CE00693D","","","0.71073","MoKα","","0.098","0.0643","","","0.1696","0.1923","","","","","","1.113","","","","has coordinates","196985","2020-10-21","18:00:00",""
"7228320","22.736","0.001","21.619","0.002","14.974","0.001","90","","121.769","0.002","90","","6257.4","0.8","100","2","100","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C63 H71 Br0.5 Na0.5 O13 P3 S -","- C63 H69 Br0.5 Na0.5 O13 P3 S -","- C252 H276 Br2 Na2 O52 P12 S4 -","4","1","","Pinalli, Roberta; Brancatelli, Giovanna; Nicosia, Carlo; Barboza, Tahnie; Guy, Laure; Dutasta, Jean-Pierre; De Zorzi, Rita; Demitri, Nicola; Dalcanale, Enrico; Geremia, Silvano","Enantiospecific recognition of 2-butanol by an inherently chiral cavitand in the solid state","CrystEngComm","2017","","","","","10.1039/C7CE00557A","","","0.7","","","0.0824","0.062","","","0.165","0.1825","","","","","","1.02","","","","has coordinates,has disorder","197009","2020-10-21","18:00:00",""
"7228321","24.15","0.005","15.847","0.003","31.397","0.006","90","","96.99","0.03","90","","11926","4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C65.8 H78 O13.7 P3 S -","- C61 H66 O12.5 P3 S -","- C488 H528 O100 P24 S8 -","8","2","","Pinalli, Roberta; Brancatelli, Giovanna; Nicosia, Carlo; Barboza, Tahnie; Guy, Laure; Dutasta, Jean-Pierre; De Zorzi, Rita; Demitri, Nicola; Dalcanale, Enrico; Geremia, Silvano","Enantiospecific recognition of 2-butanol by an inherently chiral cavitand in the solid state","CrystEngComm","2017","","","","","10.1039/C7CE00557A","","","1.54178","Synchrotron","","0.1112","0.1031","","","0.2556","0.2622","","","","","","1.042","","","","has coordinates","197009","2020-10-21","18:00:00",""
"7228322","24.1722","0.001","24.1722","0.001","24.1722","0.001","90","","90","","90","","14123.7","1","100","","100","","","","","","","","","4","F 2 3","F 2 2 3","196","","","","- C133.5 H176.84 N24 O11.92 -","- C133.5 H120 N24 O11.916 -","- C534 H480 N96 O47.664 -","4","0.0833333","","Tothadi, Srinu; Little, Marc A.; Hasell, Tom; Briggs, Michael E.; Chong, Samantha Y.; Liu, Ming; Cooper, Andrew I.","Modular assembly of porous organic cage crystals: isoreticular quasiracemates and ternary co-crystal","CrystEngComm","2017","","","","","10.1039/C7CE00783C","","x-ray","0.7749","","","0.1038","0.0941","","","0.2252","0.2475","","","","","","2.259","","","","has coordinates,has disorder","197010","2020-10-21","18:00:00",""
"7228323","24.586","0.003","24.586","0.003","24.586","0.003","90","","90","","90","","14862","3","400","2","400","2","","","","","","","","3","F 2 3","F 2 2 3","196","","","","- C126 H156 N24 -","- C126 H156 N24 -","- C504 H624 N96 -","4","0.0833333","","Tothadi, Srinu; Little, Marc A.; Hasell, Tom; Briggs, Michael E.; Chong, Samantha Y.; Liu, Ming; Cooper, Andrew I.","Modular assembly of porous organic cage crystals: isoreticular quasiracemates and ternary co-crystal","CrystEngComm","2017","","","","","10.1039/C7CE00783C","","x-ray","0.71073","MoKα","","0.0708","0.0491","","","0.1444","0.1655","","","","","","1.059","","","","has coordinates","197010","2020-10-21","18:00:00",""
"7228324","17.9772","0.0018","9.026","0.001","27.903","0.003","90","","103.161","0.008","90","","4408.7","0.8","120","2","120","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C62 H120 Cd2 N6 O14 S4 Si4 -","- C62 H120 Cd2 N6 O14 S4 Si4 -","- C124 H240 Cd4 N12 O28 S8 Si8 -","2","1","","Kowalkowska, Daria; Dołęga, Anna; Nedelko, Natalia; Hnatejko, Zbigniew; Ponikiewski, Łukasz; Matracka, Alicja; Ślawska-Waniewska, Anna; Strągowska, Alicja; Słowy, Klaudia; Gazda, Maria; Pladzyk, Agnieszka","Structural, spectral and magnetic properties of Ni(II), Co(II) and Cd(II) compounds with imidazole derivatives and silanethiolate ligands","CrystEngComm","2017","","","","","10.1039/C7CE00555E","","","0.71073","MoKα","","0.0375","0.0338","","","0.0783","0.0799","","","","","","1.048","","","","has coordinates,has disorder","197011","2020-10-21","18:00:00",""
"7228325","14.0403","0.0007","16.2198","0.0008","18.3694","0.0009","87.591","0.004","78.654","0.004","88.153","0.004","4096.7","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H65 Cl27 N8 Ni2 O8 -","- C49 H65 Cl27 N8 Ni2 O8 -","- C98 H130 Cl54 N16 Ni4 O16 -","2","1","","Kowalkowska, Daria; Dołęga, Anna; Nedelko, Natalia; Hnatejko, Zbigniew; Ponikiewski, Łukasz; Matracka, Alicja; Ślawska-Waniewska, Anna; Strągowska, Alicja; Słowy, Klaudia; Gazda, Maria; Pladzyk, Agnieszka","Structural, spectral and magnetic properties of Ni(II), Co(II) and Cd(II) compounds with imidazole derivatives and silanethiolate ligands","CrystEngComm","2017","","","","","10.1039/C7CE00555E","","","0.71073","MoKα","","0.1368","0.0867","","","0.2129","0.2788","","","","","","1.056","","","","has coordinates","197011","2020-10-21","18:00:00",""
"7228326","9.592","0.003","33.01","0.008","14.296","0.004","90","","103.94","0.02","90","","4393","2","120","2","120","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C30 H62 Co N3 O6 S2 Si2 -","- C30 H62 Co N3 O6 S2 Si2 -","- C120 H248 Co4 N12 O24 S8 Si8 -","4","1","","Kowalkowska, Daria; Dołęga, Anna; Nedelko, Natalia; Hnatejko, Zbigniew; Ponikiewski, Łukasz; Matracka, Alicja; Ślawska-Waniewska, Anna; Strągowska, Alicja; Słowy, Klaudia; Gazda, Maria; Pladzyk, Agnieszka","Structural, spectral and magnetic properties of Ni(II), Co(II) and Cd(II) compounds with imidazole derivatives and silanethiolate ligands","CrystEngComm","2017","","","","","10.1039/C7CE00555E","","","0.71073","MoKα","","0.1354","0.0618","","","0.1281","0.157","","","","","","0.955","","","","has coordinates,has disorder","197011","2020-10-21","18:00:00",""
"7228327","10.011","0.0003","28.3797","0.0013","18.2009","0.0007","90","","99.872","0.003","90","","5094.5","0.3","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C35 H69 Cd Cl3 N4 O6 S2 Si2 -","- C35 H69 Cd Cl3 N4 O6 S2 Si2 -","- C140 H276 Cd4 Cl12 N16 O24 S8 Si8 -","4","1","","Kowalkowska, Daria; Dołęga, Anna; Nedelko, Natalia; Hnatejko, Zbigniew; Ponikiewski, Łukasz; Matracka, Alicja; Ślawska-Waniewska, Anna; Strągowska, Alicja; Słowy, Klaudia; Gazda, Maria; Pladzyk, Agnieszka","Structural, spectral and magnetic properties of Ni(II), Co(II) and Cd(II) compounds with imidazole derivatives and silanethiolate ligands","CrystEngComm","2017","","","","","10.1039/C7CE00555E","","","0.71073","MoKα","","0.0957","0.0539","","","0.126","0.1376","","","","","","0.92","","","","has coordinates","197011","2020-10-21","18:00:00",""
"7228328","11.947","0.007","15.36","0.014","15.374","0.017","90.85","0.08","112.01","0.07","92.77","0.06","2611","4","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C74 H160 Co2 N8 O18 S4 Si4 -","- C74 H160 Co2 N8 O18 S4 Si4 -","- C74 H160 Co2 N8 O18 S4 Si4 -","1","0.5","","Kowalkowska, Daria; Dołęga, Anna; Nedelko, Natalia; Hnatejko, Zbigniew; Ponikiewski, Łukasz; Matracka, Alicja; Ślawska-Waniewska, Anna; Strągowska, Alicja; Słowy, Klaudia; Gazda, Maria; Pladzyk, Agnieszka","Structural, spectral and magnetic properties of Ni(II), Co(II) and Cd(II) compounds with imidazole derivatives and silanethiolate ligands","CrystEngComm","2017","","","","","10.1039/C7CE00555E","","","0.71073","MoKα","","0.1406","0.0671","","","0.1485","0.18","","","","","","0.913","","","","has coordinates","197011","2020-10-21","18:00:00",""
"7228329","14.3711","0.0016","32.952","0.005","9.537","0.0011","90","","103.618","0.009","90","","4389.3","1","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H65 N3 Ni O6 S2 Si2 -","- C30 H65 N3 Ni O6 S2 Si2 -","- C120 H260 N12 Ni4 O24 S8 Si8 -","4","1","","Kowalkowska, Daria; Dołęga, Anna; Nedelko, Natalia; Hnatejko, Zbigniew; Ponikiewski, Łukasz; Matracka, Alicja; Ślawska-Waniewska, Anna; Strągowska, Alicja; Słowy, Klaudia; Gazda, Maria; Pladzyk, Agnieszka","Structural, spectral and magnetic properties of Ni(II), Co(II) and Cd(II) compounds with imidazole derivatives and silanethiolate ligands","CrystEngComm","2017","","","","","10.1039/C7CE00555E","","","0.71073","MoKα","","0.0834","0.0518","","","0.1492","0.2048","","","","","","1.061","","","","has coordinates,has disorder","197011","2020-10-21","18:00:00",""
"7228354","23.221","0.003","23.258","0.002","11.0477","0.0013","90","","109.205","0.004","90","","5634.5","1.1","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C37 H56.5 Dy5 N14.5 O30 -","- C32.5 H22 Dy5 N13.5 O29 -","- C130 H88 Dy20 N54 O116 -","4","0.5","","liu, feng; huang, hong; gao, wei; Zhang, Xiumei; liu, jie ping","3D Ln-MOFs containing pentanuclear clusters exhibiting magnetic refrigeration and slow magnetic relaxation","CrystEngComm","2017","","","","","10.1039/C7CE00698E","","","0.71073","MoKα","","0.0504","0.0437","","","0.1069","0.1101","","","","","","1.065","","","","has coordinates,has disorder","197136","2020-10-21","18:00:00",""
"7228355","23.543","0.003","23.351","0.002","11.2607","0.0013","90","","111.208","0.004","90","","5771.3","1.1","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C37 H56.5 Gd5 N14.5 O30 -","- C32.5 H19 Gd5 N13.5 O30 -","- C130 H76 Gd20 N54 O120 -","4","0.5","","liu, feng; huang, hong; gao, wei; Zhang, Xiumei; liu, jie ping","3D Ln-MOFs containing pentanuclear clusters exhibiting magnetic refrigeration and slow magnetic relaxation","CrystEngComm","2017","","","","","10.1039/C7CE00698E","","","0.71073","MoKα","","0.0561","0.0523","","","0.1195","0.1211","","","","","","1.07","","","","has coordinates,has disorder","197136","2020-10-21","18:00:00",""
"7228356","9.307","0.002","21.037","0.002","13.607","0.002","90","","101.561","0.003","90","","2610.1","0.7","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H27 N7 O2 -","- C29 H27 N7 O2 -","- C116 H108 N28 O8 -","4","1","","Pitchaimani, J.; Kundu, Anu; Karthikeyan, Subramanian; Anthony, Philip Philip; Moon, Dohyun; Madhu, Vedichi","A Crab Claw Shaped Molecular Receptor for Selective Recognition of Picric Acid: Supramolecular Self-Assembly Mediated Aggregation Induced Emission and Color Change","CrystEngComm","2017","","","","","10.1039/C7CE00642J","","","0.61","synchrotron","","0.0594","0.042","","","0.112","0.1193","","","","","","1.008","","","","has coordinates","197137","2020-10-21","18:00:00",""
"7228357","10.689","0.002","21.09","0.003","15.168","0.002","90","","93.045","0.004","90","","3414.5","0.9","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H30 N10 O9 -","- C35 H30 N10 O9 -","- C140 H120 N40 O36 -","4","1","","Pitchaimani, J.; Kundu, Anu; Karthikeyan, Subramanian; Anthony, Philip Philip; Moon, Dohyun; Madhu, Vedichi","A Crab Claw Shaped Molecular Receptor for Selective Recognition of Picric Acid: Supramolecular Self-Assembly Mediated Aggregation Induced Emission and Color Change","CrystEngComm","2017","","","","","10.1039/C7CE00642J","","","0.63","synchrotron","","0.1139","0.0629","","","0.1735","0.194","","","","","","0.992","","","","has coordinates,has disorder","197137","2020-10-21","18:00:00",""
"7228362","7.1454","0.0004","17.2601","0.0009","22.297","0.0011","90","","90","","90","","2749.9","0.3","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","([6]helicene)(F4TCNQ)","","","- C38 H16 F4 N4 -","- C38 H16 F4 N4 -","- C152 H64 F16 N16 -","4","0.5","","Yoshida, Yukihiro; Nakamura, Yuto; Kishida, Hideo; Hayama, Hiromi; Nakano, Yoshiaki; Yamochi, Hideki; Saito, Gunzi","Racemic Charge-Transfer Complexes of Helical Polycyclic Aromatic Hydrocarbon Molecule","CrystEngComm","2017","","","","","10.1039/C7CE00763A","","","0.71073","MoKα","","0.0375","0.0321","","","0.0871","0.0915","","","","","","1.045","","","","has coordinates","197184","2020-10-21","18:00:00",""
"7228363","8.2077","0.0005","33.788","0.0019","19.3173","0.0011","90","","92.882","0.001","90","","5350.3","0.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","([6]helicene)(TCNQ)","","","- C38 H20 N4 -","- C38 H20 N4 -","- C304 H160 N32 -","8","2","","Yoshida, Yukihiro; Nakamura, Yuto; Kishida, Hideo; Hayama, Hiromi; Nakano, Yoshiaki; Yamochi, Hideki; Saito, Gunzi","Racemic Charge-Transfer Complexes of Helical Polycyclic Aromatic Hydrocarbon Molecule","CrystEngComm","2017","","","","","10.1039/C7CE00763A","","","0.71073","MoKα","","0.0986","0.0482","","","0.0906","0.1045","","","","","","0.975","","","","has coordinates","197184","2020-10-21","18:00:00",""
"7228364","14.4593","0.0007","11.4032","0.0006","17.8273","0.0009","90","","102.652","0.001","90","","2868","0.3","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","([6]helicene)(Me2TCNQ)","","","- C40 H24 N4 -","- C40 H24 N4 -","- C160 H96 N16 -","4","0.5","","Yoshida, Yukihiro; Nakamura, Yuto; Kishida, Hideo; Hayama, Hiromi; Nakano, Yoshiaki; Yamochi, Hideki; Saito, Gunzi","Racemic Charge-Transfer Complexes of Helical Polycyclic Aromatic Hydrocarbon Molecule","CrystEngComm","2017","","","","","10.1039/C7CE00763A","","","0.71073","MoKα","","0.0372","0.0343","","","0.0981","0.1016","","","","","","1.096","","","","has coordinates","197184","2020-10-21","18:00:00",""
"7228365","8.3747","0.0004","16.7659","0.0008","19.2823","0.0009","90","","90.488","0.001","90","","2707.3","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","([6]helicene)(F2TCNQ)","","","- C38 H18 F2 N4 -","- C38 H18 F2 N4 -","- C152 H72 F8 N16 -","4","1","","Yoshida, Yukihiro; Nakamura, Yuto; Kishida, Hideo; Hayama, Hiromi; Nakano, Yoshiaki; Yamochi, Hideki; Saito, Gunzi","Racemic Charge-Transfer Complexes of Helical Polycyclic Aromatic Hydrocarbon Molecule","CrystEngComm","2017","","","","","10.1039/C7CE00763A","","","0.71073","MoKα","","0.0527","0.0391","","","0.0921","0.0991","","","","","","1.019","","","","has coordinates,has disorder","197184","2020-10-21","18:00:00",""
"7228366","7.3079","0.0003","12.9491","0.0006","17.4393","0.0008","90","","90","","90","","1650.29","0.13","100","2","100","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","(M)-[6]helicene","","","- C26 H16 -","- C26 H16 -","- C104 H64 -","4","1","","Yoshida, Yukihiro; Nakamura, Yuto; Kishida, Hideo; Hayama, Hiromi; Nakano, Yoshiaki; Yamochi, Hideki; Saito, Gunzi","Racemic Charge-Transfer Complexes of Helical Polycyclic Aromatic Hydrocarbon Molecule","CrystEngComm","2017","","","","","10.1039/C7CE00763A","","","0.71073","MoKα","","0.0331","0.0294","","","0.0708","0.0724","","","","","","1.058","","","","has coordinates","197184","2020-10-21","18:00:00",""
"7228367","31.5024","0.0016","15.5709","0.0008","28.1201","0.0016","90","","114.798","0.002","90","","12521.6","1.2","150","2","150","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C106 H92 B2 Cl4 Cu8 F8 K2 N32 S8 -","- C106 H92 B2 Cl4 Cu8 F8 K2 N32 S8 -","- C424 H368 B8 Cl16 Cu32 F32 K8 N128 S32 -","4","0.5","","Rice, Craig; Jewsbury, R. A.; Dunmore, Rachel Ellen; Bullock, Samantha; Faulkner, Robert Allan","A Structural Study of Dithizone Coordination Chemistry","CrystEngComm","2017","","","","","10.1039/C7CE00580F","","","0.71073","MoKα","","0.1723","0.0752","","","0.1708","0.2146","","","","","","0.981","","","","has coordinates,has disorder","197185","2020-10-21","18:00:00",""
"7228368","11.7453","0.0004","12.3139","0.0004","14.0203","0.0004","100.819","0.001","98.42","0.001","107.765","0.001","1851.22","0.1","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C64 H68 Ag2 Cl2 Hg2 N16 O12 S4 -","- C64 H68 Ag2 Cl2 Hg2 N16 O12 S4 -","- C64 H68 Ag2 Cl2 Hg2 N16 O12 S4 -","1","0.5","","Rice, Craig; Jewsbury, R. A.; Dunmore, Rachel Ellen; Bullock, Samantha; Faulkner, Robert Allan","A Structural Study of Dithizone Coordination Chemistry","CrystEngComm","2017","","","","","10.1039/C7CE00580F","","","0.71073","MoKα","","0.0285","0.0216","","","0.0412","0.0428","","","","","","1.03","","","","has coordinates,has disorder","197185","2020-10-21","18:00:00",""
"7228369","21.7448","0.0019","5.326","0.0004","13.8216","0.0011","90","","106.577","0.002","90","","1534.2","0.2","150","2","150","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C30 H28 Hg N10 O0 S2 -","- C30 H28 Hg N10 S2 -","- C60 H56 Hg2 N20 S4 -","2","0.5","","Rice, Craig; Jewsbury, R. A.; Dunmore, Rachel Ellen; Bullock, Samantha; Faulkner, Robert Allan","A Structural Study of Dithizone Coordination Chemistry","CrystEngComm","2017","","","","","10.1039/C7CE00580F","","","0.71073","MoKα","","0.0342","0.032","","","0.0542","0.0553","","","","","","0.815","","","","has coordinates","197185","2020-10-21","18:00:00",""
"7228370","31.5889","0.0019","15.6131","0.0009","28.325","0.003","90","","115.412","0.001","90","","12618.3","1.7","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C106 H88 Cl6 Cu8 K2 N32 O8 S8 -","- C106 H88 Cl6 Cu8 K2 N32 O8 S8 -","- C424 H352 Cl24 Cu32 K8 N128 O32 S32 -","4","0.5","","Rice, Craig; Jewsbury, R. A.; Dunmore, Rachel Ellen; Bullock, Samantha; Faulkner, Robert Allan","A Structural Study of Dithizone Coordination Chemistry","CrystEngComm","2017","","","","","10.1039/C7CE00580F","","","0.71073","MoKα","","0.1343","0.0638","","","0.155","0.1868","","","","","","1","","","","has coordinates,has disorder","197185","2020-10-21","18:00:00",""
"7228371","12.4147","0.0008","12.5005","0.0008","15.0246","0.001","79.78","0.002","67.38","0.002","88.288","0.002","2116.3","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C40.5 H33.5 Cu2 N12 O0.5 S3 -","- C40.5 H33.5 Cu2 N12 O0.5 S3 -","- C81 H67 Cu4 N24 O S6 -","2","1","","Rice, Craig; Jewsbury, R. A.; Dunmore, Rachel Ellen; Bullock, Samantha; Faulkner, Robert Allan","A Structural Study of Dithizone Coordination Chemistry","CrystEngComm","2017","","","","","10.1039/C7CE00580F","","","0.71073","MoKα","","0.0771","0.0433","","","0.0822","0.0943","","","","","","0.995","","","","has coordinates","197185","2020-10-21","18:00:00",""
"7228372","15.9366","0.0005","24.2141","0.0008","17.0724","0.0006","90","","110.846","0.0016","90","","6156.8","0.4","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C57 H52 Cl2 Cu4 N16 O S4 -","- C57 H52 Cl2 Cu4 N16 O S4 -","- C228 H208 Cl8 Cu16 N64 O4 S16 -","4","1","","Rice, Craig; Jewsbury, R. A.; Dunmore, Rachel Ellen; Bullock, Samantha; Faulkner, Robert Allan","A Structural Study of Dithizone Coordination Chemistry","CrystEngComm","2017","","","","","10.1039/C7CE00580F","","","1.54178","CuKα","","0.1141","0.0818","","","0.2212","0.2482","","","","","","1.031","","","","has coordinates","197185","2020-10-21","18:00:00",""
"7228373","8.1987","0.0005","13.5765","0.0008","16.0434","0.001","86.101","0.005","78.373","0.005","88.442","0.005","1744.93","0.19","150","2","150","2","","","","","","","","5","P -1","-P 1","2","1,1',1''-((2,4,6-trimethylbenzene-1,3,5-triyl) tris(methylene))tris(5-methylindoline-2,3-dione)","1,1',1''-((2,4,6-trimethylbenzene-1,3,5-triyl) tris(methylene))tris(5-methylindoline-2,3-dione)","","- C39.68 H33.68 Cl2.04 N3 O6 -","- C39.68 H33.68 Cl2.04 N3 O6 -","- C79.36 H67.36 Cl4.08 N6 O12 -","2","1","","Mazik, Monika; Schulze, Mathias M.; Schwarzer, Anke","Conformations of benzene-based tripodal isatin-bearing compounds in the crystalline state","CrystEngComm","2017","","","","","10.1039/C7CE00576H","","","0.71073","MoKα","","0.1143","0.073","","","0.1743","0.2053","","","","","","1.114","","","","has coordinates","197186","2020-10-21","18:00:00",""
"7228374","11.8472","0.0006","13.2204","0.0006","15.2946","0.0007","62.584","0.003","70.003","0.004","86.619","0.004","1984.29","0.18","120","2","120","2","","","","","","","","4","P -1","-P 1","2","1,1',1''-(2,4,6-triethylbenzene-1,3,5-triyl)tris(methylene) triindoline-2,3-dione","1,1',1''-(2,4,6-triethylbenzene-1,3,5-triyl)tris(methylene) triindoline-2,3-dione","","- C45 H47 N5 O8 -","- C44.988 H46.972 N4.996 O7.996 -","- C89.976 H93.944 N9.992 O15.992 -","2","1","","Mazik, Monika; Schulze, Mathias M.; Schwarzer, Anke","Conformations of benzene-based tripodal isatin-bearing compounds in the crystalline state","CrystEngComm","2017","","","","","10.1039/C7CE00576H","","","0.71073","MoKα","","0.0509","0.0411","","","0.104","0.1134","","","","","","1.054","","","","has coordinates,has disorder","197186","2020-10-21","18:00:00",""
"7228375","14.9001","0.0007","10.1802","0.0004","18.3499","0.0007","90","","93.884","0.003","90","","2777","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,1',1''-(2,4,6-trimethylbenzene-1,3,5-triyl)tris(methylene) triindoline-2,3-dione","1,1',1''-(2,4,6-trimethylbenzene-1,3,5-triyl)tris(methylene) triindoline-2,3-dione","","- C36 H27 N3 O6 -","- C36 H27 N3 O6 -","- C144 H108 N12 O24 -","4","1","","Mazik, Monika; Schulze, Mathias M.; Schwarzer, Anke","Conformations of benzene-based tripodal isatin-bearing compounds in the crystalline state","CrystEngComm","2017","","","","","10.1039/C7CE00576H","","","0.71073","MoKα","","0.0717","0.049","","","0.1091","0.1233","","","","","","1.14","","","","has coordinates","197186","2020-10-21","18:00:00",""
"7228376","10.7009","0.0005","13.6335","0.0007","14.0704","0.0007","115.146","0.003","94.041","0.004","98.252","0.004","1819.05","0.17","150","2","150","2","","","","","","","","5","P -1","-P 1","2","1,1',1''-((2,4,6-trimethylbenzene-1,3,5-triyl) tris(methylene))tris(5-methoxyindoline-2,3-dione)","1,1',1''-((2,4,6-trimethylbenzene-1,3,5-triyl) tris(methylene))tris(5-methoxyindoline-2,3-dione)","","- C39.88 H33.88 Cl2.64 N3 O9 -","- C39.88 H33.88 Cl2.64 N3 O9 -","- C79.76 H67.76 Cl5.28 N6 O18 -","2","1","","Mazik, Monika; Schulze, Mathias M.; Schwarzer, Anke","Conformations of benzene-based tripodal isatin-bearing compounds in the crystalline state","CrystEngComm","2017","","","","","10.1039/C7CE00576H","","","0.71073","MoKα","","0.038","0.0341","","","0.0889","0.0923","","","","","","1.044","","","","has coordinates,has disorder","197186","2020-10-21","18:00:00",""
"7228377","8.7193","0.0003","13.537","0.0005","17.0293","0.0007","90.53","0.003","101.315","0.003","96.462","0.003","1957.42","0.13","173","2","173","2","","","","","","","","4","P -1","-P 1","2","1,1',1''-(2,4,6-triethylbenzene-1,3,5-triyl)tris(methylene) triindoline-2,3-dione","1,1',1''-(2,4,6-triethylbenzene-1,3,5-triyl)tris(methylene) triindoline-2,3-dione","","- C45 H48 N3 O9 -","- C45 H48 N3 O9 -","- C90 H96 N6 O18 -","2","1","","Mazik, Monika; Schulze, Mathias M.; Schwarzer, Anke","Conformations of benzene-based tripodal isatin-bearing compounds in the crystalline state","CrystEngComm","2017","","","","","10.1039/C7CE00576H","","","0.71073","MoKα","","0.0835","0.064","","","0.1566","0.1701","","","","","","1.191","","","","has coordinates","197186","2020-10-21","18:00:00",""
"7228378","18.9687","0.0005","8.5086","0.0002","24.479","0.0006","90","","112.71","0.0009","90","","3644.53","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,1',1''-(2,4,6-triethylbenzene-1,3,5-triyl)tris(methylene) triindoline-2,3-dione","1,1',1''-(2,4,6-triethylbenzene-1,3,5-triyl)tris(methylene) triindoline-2,3-dione","","- C44 H42 N4 O6 -","- C44 H42 N4 O6 -","- C176 H168 N16 O24 -","4","1","","Mazik, Monika; Schulze, Mathias M.; Schwarzer, Anke","Conformations of benzene-based tripodal isatin-bearing compounds in the crystalline state","CrystEngComm","2017","","","","","10.1039/C7CE00576H","","","0.71073","MoKα","","0.0569","0.0503","","","0.1288","0.1327","","","","","","1.078","","","","has coordinates","197186","2020-10-21","18:00:00",""
"7228379","15.939","0.0007","11.9019","0.0007","17.5127","0.0009","90","","102.591","0.004","90","","3242.3","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,1',1''-((2,4,6-trimethylbenzene-1,3,5-triyl) tris(methylene))tris(5-methylindoline-2,3-dione)","1,1',1''-((2,4,6-trimethylbenzene-1,3,5-triyl) tris(methylene))tris(5-methylindoline-2,3-dione)","","- C39.83 H34.25 N3.42 O6 -","- C39.83 H34.245 N3.415 O6 -","- C159.32 H136.98 N13.66 O24 -","4","1","","Mazik, Monika; Schulze, Mathias M.; Schwarzer, Anke","Conformations of benzene-based tripodal isatin-bearing compounds in the crystalline state","CrystEngComm","2017","","","","","10.1039/C7CE00576H","","","0.71073","MoKα","","0.1505","0.0667","","","0.1118","0.1485","","","","","","1.072","","","","has coordinates,has disorder","197186","2020-10-21","18:00:00",""
"7228380","14.4301","0.0004","13.512","0.0005","19.5432","0.0007","90","","99.6261","0.0019","90","","3756.9","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,1',1''-(2,4,6-triethylbenzene-1,3,5-triyl)tris(methylene) triindoline-2,3-dione","1,1',1''-(2,4,6-triethylbenzene-1,3,5-triyl)tris(methylene) tris(5-methoxyindoline-2,3-dione","","- C44 H42 N4 O9 -","- C44 H42 N4 O9 -","- C176 H168 N16 O36 -","4","1","","Mazik, Monika; Schulze, Mathias M.; Schwarzer, Anke","Conformations of benzene-based tripodal isatin-bearing compounds in the crystalline state","CrystEngComm","2017","","","","","10.1039/C7CE00576H","","","0.71073","MoKα","","0.0771","0.0589","","","0.1594","0.1693","","","","","","1.041","","","","has coordinates","197186","2020-10-21","18:00:00",""
"7228382","14.6718","0.0005","22.9104","0.0008","23.5888","0.0009","90","","104.564","0.004","90","","7674.3","0.5","145","2","145","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H110 Cl4 N7 O10 -","- C72 H109 Cl4 N7 O10 -","- C288 H436 Cl16 N28 O40 -","4","1","","Zhu, Jing-Yi; Li, Fu-Min; Yao, Lin; Han, Cong-Cong; Li, Shu-Ni; Zeng, Jing-Hui; Jiang, Jia-Xing; Lee, Jong-Min; Chen, Yu","In situ bubble template-assisted synthesis of phosphonate-functionalized Rh nanodendrites and their catalytic application","CrystEngComm","2017","19","21","2946","","10.1039/C7CE00606C","","","0.71073","MoKα","","0.1167","0.0929","","","0.2554","0.2772","","","","","","1.025","","","","has coordinates","197220","2020-10-21","18:00:00",""
"7228386","6.283","0.004","9.068","0.006","9.413","0.006","83.434","0.01","71.683","0.01","87.853","0.01","505.8","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 B2 N2 O12 -","- C20 H18 B2 N2 O12 -","- C20 H18 B2 N2 O12 -","1","0.5","","Campos, Jose Jesus; García Grajeda, Blanca A.; Hernández, Irán Fernando; Guerrero, Jorge Antonio; Höpfl, Herbert; Cruz, Adriana","Supramolecular networks in molecular complexes of pyridine boronic acids and polycarboxylic acids: Synthesis, structural characterization and fluorescent properties","CrystEngComm","2017","","","","","10.1039/C7CE00762K","","","0.71073","MoKα","","0.0523","0.0464","","","0.1172","0.1222","","","","","","1.043","","","","has coordinates","197544","2020-10-21","18:00:00",""
"7228387","6.8238","0.001","8.5146","0.0013","12.6237","0.0019","91.778","0.002","104.295","0.002","96.157","0.002","705.39","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 B N O8 -","- C14 H12 B N O8 -","- C28 H24 B2 N2 O16 -","2","1","","Campos, Jose Jesus; García Grajeda, Blanca A.; Hernández, Irán Fernando; Guerrero, Jorge Antonio; Höpfl, Herbert; Cruz, Adriana","Supramolecular networks in molecular complexes of pyridine boronic acids and polycarboxylic acids: Synthesis, structural characterization and fluorescent properties","CrystEngComm","2017","","","","","10.1039/C7CE00762K","","","0.71073","MoKα","","0.036","0.0352","","","0.096","0.0967","","","","","","1.068","","","","has coordinates","197544","2020-10-21","18:00:00",""
"7228388","3.6556","0.0006","10.2996","0.0016","15.328","0.002","103.389","0.002","92.245","0.003","98.573","0.003","553.53","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 B2 N2 O14 -","- C20 H22 B2 N2 O14 -","- C20 H22 B2 N2 O14 -","1","0.5","","Campos, Jose Jesus; García Grajeda, Blanca A.; Hernández, Irán Fernando; Guerrero, Jorge Antonio; Höpfl, Herbert; Cruz, Adriana","Supramolecular networks in molecular complexes of pyridine boronic acids and polycarboxylic acids: Synthesis, structural characterization and fluorescent properties","CrystEngComm","2017","","","","","10.1039/C7CE00762K","","","0.71073","MoKα","","0.0646","0.056","","","0.1309","0.1398","","","","","","1.023","","","","has coordinates","197544","2020-10-21","18:00:00",""
"7228389","9.094","0.0006","12.7134","0.0005","33.9463","0.0014","90","","90","","90","","3924.7","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H9 O11 Zn2 -","- C23 H9 O11 Zn2 -","- C92 H36 O44 Zn8 -","4","1","","Liu, Jian-Qiang; SINGH, AMITA; Kumar, Abhinav; Wu, Xiren; Wang, Jun; Batten, Stuart R.; Li, Baohong","An uncommon (5,5)-connected 3D metal organic material for selective and sensitive sensing of nitroaromatics and ferric ion: experimental studies and theoretical analysis","CrystEngComm","2017","","","","","10.1039/C7CE00912G","","","1.54184","CuKα","","0.0983","0.0878","","","0.2365","0.2531","","","","","","0.987","","","","has coordinates","197545","2020-10-21","18:00:00",""
"7228390","12.2017","0.0001","7.959","","25.9259","0.0001","90","","90","","90","","2517.75","0.02","200","0.1","200","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H13 Cl2 N O3 -","- C10 H13 Cl2 N O3 -","- C80 H104 Cl16 N8 O24 -","8","1","","D'Vries, Richard Fernando; Moreno-Fuquen, Rodolfo; Camps, Ihosvany; Ayala, Alejandro P.; Kennedy, Alan; Reinheimer, Eric W.; Ellena, Javier A.","Order-disorder phase transition induced by proton transfer in a co-crystal of 2,4-dichlorobenzoic Acid and Trimethylamine N- oxide","CrystEngComm","2017","","","","","10.1039/C7CE00835J","","","1.54184","CuKα","","0.033","0.0324","","","0.0876","0.0881","","","","","","1.091","","","","has coordinates","197546","2020-10-21","18:00:00",""
"7228391","12.2769","0.0001","8.0018","0.0001","26.0006","0.0002","90","","90","","90","","2554.23","0.04","294.87","0.1","294.87","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H13 Cl2 N O3 -","- C10 H13 Cl2 N O3 -","- C80 H104 Cl16 N8 O24 -","8","1","","D'Vries, Richard Fernando; Moreno-Fuquen, Rodolfo; Camps, Ihosvany; Ayala, Alejandro P.; Kennedy, Alan; Reinheimer, Eric W.; Ellena, Javier A.","Order-disorder phase transition induced by proton transfer in a co-crystal of 2,4-dichlorobenzoic Acid and Trimethylamine N- oxide","CrystEngComm","2017","","","","","10.1039/C7CE00835J","","","1.54184","CuKα","","0.0405","0.0393","","","0.1126","0.1137","","","","","","1.066","","","","has coordinates,has disorder","197546","2020-10-21","18:00:00",""
"7228392","12.2403","0.0001","7.9788","0.0001","25.9695","0.0002","90","","90","","90","","2536.26","0.04","250","0.1","250","10","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H13 Cl2 N O3 -","- C10 H13 Cl2 N O3 -","- C80 H104 Cl16 N8 O24 -","8","1","","D'Vries, Richard Fernando; Moreno-Fuquen, Rodolfo; Camps, Ihosvany; Ayala, Alejandro P.; Kennedy, Alan; Reinheimer, Eric W.; Ellena, Javier A.","Order-disorder phase transition induced by proton transfer in a co-crystal of 2,4-dichlorobenzoic Acid and Trimethylamine N- oxide","CrystEngComm","2017","","","","","10.1039/C7CE00835J","","","1.54184","CuKα","","0.035","0.0341","","","0.0926","0.0933","","","","","","1.077","","","","has coordinates,has disorder","197546","2020-10-21","18:00:00",""
"7228393","12.12852","0.0001","7.92362","0.00007","25.81707","0.00018","90","","90","","90","","2481.07","0.03","99.98","0.18","99.98","0.18","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H13 Cl1.98 N O3 -","- C10 H13 Cl1.9797 N O3 -","- C80 H104 Cl15.8376 N8 O24 -","8","1","","D'Vries, Richard Fernando; Moreno-Fuquen, Rodolfo; Camps, Ihosvany; Ayala, Alejandro P.; Kennedy, Alan; Reinheimer, Eric W.; Ellena, Javier A.","Order-disorder phase transition induced by proton transfer in a co-crystal of 2,4-dichlorobenzoic Acid and Trimethylamine N- oxide","CrystEngComm","2017","","","","","10.1039/C7CE00835J","","x-ray","1.54184","CuKα","","0.0272","0.0269","","","0.0695","0.0697","","","","","","1.095","","","","has coordinates,has disorder","197546","2020-10-21","18:00:00",""
"7228394","12.162","0.0001","7.9403","0.0001","25.8738","0.0002","90","","90","","90","","2498.63","0.04","150","10","150","10","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H13 Cl2 N O3 -","- C10 H13 Cl2 N O3 -","- C80 H104 Cl16 N8 O24 -","8","1","","D'Vries, Richard Fernando; Moreno-Fuquen, Rodolfo; Camps, Ihosvany; Ayala, Alejandro P.; Kennedy, Alan; Reinheimer, Eric W.; Ellena, Javier A.","Order-disorder phase transition induced by proton transfer in a co-crystal of 2,4-dichlorobenzoic Acid and Trimethylamine N- oxide","CrystEngComm","2017","","","","","10.1039/C7CE00835J","","","1.54184","CuKα","","0.029","0.0286","","","0.0778","0.0781","","","","","","1.086","","","","has coordinates","197546","2020-10-21","18:00:00",""
"7228447","11.2502","0.0005","7.188","0.0004","21.7868","0.0015","90","","90","","90","","1761.82","0.17","122.7","0.3","122.7","0.3","","","","","","","","4","P b c a","-P 2ac 2ab","61","MC_U co-crystal","m-cresol_urea","","- C8 H12 N2 O2 -","- C8 H12 N2 O2 -","- C64 H96 N16 O16 -","8","1","","Wang, Na; Hao, Hongxun; Lu, Haijiao; Xu, Ruilin","Molecular recognition and self-assembly mechanism of cocrystallization process","CrystEngComm","2017","","","","","10.1039/C7CE00713B","","","0.71073","MoKα","","0.0746","0.0552","","","0.1344","0.1472","","","","","","1.104","","","","has coordinates","197672","2020-10-21","18:00:00",""
"7228448","8.461","0.0017","8.506","0.0017","9.302","0.0019","98.71","0.03","98.91","0.03","103.81","0.03","629.8","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H9 Ba O10 P3 -","- C6 H9 Ba O10 P3 -","- C12 H18 Ba2 O20 P6 -","2","1","","Gelfand, Benjamin S.; Taylor, Jared M.; Shimizu, George K. H.","Extracting structural trends from systematic variation of phosphonate/phosphonate monoester coordination polymers","CrystEngComm","2017","","","","","10.1039/C7CE00579B","","","0.71073","MoKα","","0.0274","0.0237","","","0.0525","0.0542","","","","","","1.063","","","","has coordinates,has disorder","197673","2020-10-21","18:00:00",""
"7228449","11.616","0.002","15.242","0.003","17.613","0.004","67.65","0.03","82.28","0.03","82.8","0.03","2848.6","1.2","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H72 Ba3 O30 P6 -","- C30 H72 Ba3 O30 P6 -","- C60 H144 Ba6 O60 P12 -","2","1","","Gelfand, Benjamin S.; Taylor, Jared M.; Shimizu, George K. H.","Extracting structural trends from systematic variation of phosphonate/phosphonate monoester coordination polymers","CrystEngComm","2017","","","","","10.1039/C7CE00579B","","","0.71069","MoKα","","0.0861","0.0614","","","0.116","0.1325","","","","","","1.153","","","","has coordinates,has disorder","197673","2020-10-21","18:00:00",""
"7228450","26.457","0.005","6.0072","0.0012","21.021","0.004","90","","90","","90","","3340.9","1.1","173","2","173","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C12 H18 Ba O6 P2 -","- C12 H18 Ba O6 P2 -","- C96 H144 Ba8 O48 P16 -","8","0.5","","Gelfand, Benjamin S.; Taylor, Jared M.; Shimizu, George K. H.","Extracting structural trends from systematic variation of phosphonate/phosphonate monoester coordination polymers","CrystEngComm","2017","","","","","10.1039/C7CE00579B","","","0.71073","MoKα","","0.0827","0.0685","","","0.1587","0.1663","","","","","","1.072","","","","has coordinates,has disorder","197673","2020-10-21","18:00:00",""
"7228454","6.67372","0.00005","6.67372","0.00005","23.629","0.0003","90","","90","","90","","1052.4","0.017","298","2","298","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","cytosine/5-flucytosine solid solution I","4-aminopyrimidin-2(1H)-one/4-amino-5-fluoro-pyrimidin-2(1H)-one","","- C4 H4.393 F0.607 N3 O -","- C4 H4.393 F0.607 N3 O -","- C32 H35.144 F4.856 N24 O8 -","8","1","","Braun, Doris Elfriede; Griesser, Ulrich J.","Prediction and Experimental Validation of Solid Solutions and Isopolymorphs of Cytosine/5-Flucytosine","CrystEngComm","2017","","","","","10.1039/C7CE00939A","powder diffraction","","1.5418","","","","","","","","","","","1.983","","","","","","","has coordinates","197754","2020-10-21","18:00:00",""
"7228455","4.00808","0.00009","9.43931","0.00011","13.0306","0.0002","90","","91.179","0.002","90","","492.889","0.015","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","cytosine/5-flucytosine solid solution I","4-aminopyrimidin-2(1H)-one/4-amino-5-fluoro-pyrimidin-2(1H)-one","","- C4 H4.359 F0.641 N3 O -","- C4 H4.359 F0.641 N3 O -","- C16 H17.436 F2.564 N12 O4 -","4","1","","Braun, Doris Elfriede; Griesser, Ulrich J.","Prediction and Experimental Validation of Solid Solutions and Isopolymorphs of Cytosine/5-Flucytosine","CrystEngComm","2017","","","","","10.1039/C7CE00939A","powder diffraction","","1.5418","","","","","","","","","","","1.798","","","","","","","has coordinates","197755","2020-10-21","18:00:00",""
"7228457","16.9657","0.0008","17.2724","0.0008","25.7174","0.0012","90","","106.578","0.005","90","","7222.9","0.6","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H53 Ag4 Mo12 O48 P S8 -","- C23.5 H53 Ag4 Mo12 O48 P S8 -","- C94 H212 Ag16 Mo48 O192 P4 S32 -","4","0.5","","Hu, Ting; Li, Yu-Hang; Kuang, Xiao-Fei; Lu, Can-Zhong","Synthesis and characterization of polyoxometalate-based silver(i) phenylethynide compounds with antibacterial and antifungal activities","CrystEngComm","2017","","","","","10.1039/C7CE00180K","","","0.71073","MoKα","","0.1743","0.1655","","","0.3103","0.314","","","","","","1.127","","","","has coordinates,has disorder","197787","2020-10-21","18:00:00",""
"7228458","17.0815","0.0006","17.3104","0.0005","25.7879","0.0009","90","","106.596","0.004","90","","7307.5","0.4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H53 Ag4 O48 P S8 W12 -","- C23.5 H53 Ag4 O48 P S8 W12 -","- C94 H212 Ag16 O192 P4 S32 W48 -","4","0.5","","Hu, Ting; Li, Yu-Hang; Kuang, Xiao-Fei; Lu, Can-Zhong","Synthesis and characterization of polyoxometalate-based silver(i) phenylethynide compounds with antibacterial and antifungal activities","CrystEngComm","2017","","","","","10.1039/C7CE00180K","","","0.71073","MoKα","","0.1125","0.1027","","","0.2183","0.2217","","","","","","1.219","","","","has coordinates,has disorder","197787","2020-10-21","18:00:00",""
"7228459","13.6613","0.0015","18.0152","0.0009","18.7774","0.0006","93.702","0.003","101.547","0.006","101.388","0.007","4412.5","0.6","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C144 H132 Ag19 O50 P S8 W12 -","- C144 H108 Ag19 O50 P S8 W12 -","- C144 H108 Ag19 O50 P S8 W12 -","1","0.5","","Hu, Ting; Li, Yu-Hang; Kuang, Xiao-Fei; Lu, Can-Zhong","Synthesis and characterization of polyoxometalate-based silver(i) phenylethynide compounds with antibacterial and antifungal activities","CrystEngComm","2017","","","","","10.1039/C7CE00180K","","","0.71073","MoKα","","0.0712","0.0364","","","0.0707","0.0783","","","","","","0.956","","","","has coordinates","197787","2020-10-21","18:00:00",""
"7228460","33.174","0.004","8.3649","0.0005","32.717","0.004","90","","114.198","0.014","90","","8281.2","1.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C37 H32 Ag5 F3 O5 S3 -","- C37 H20 Ag5 F3 O5 S3 -","- C296 H160 Ag40 F24 O40 S24 -","8","1","","Hu, Ting; Li, Yu-Hang; Kuang, Xiao-Fei; Lu, Can-Zhong","Synthesis and characterization of polyoxometalate-based silver(i) phenylethynide compounds with antibacterial and antifungal activities","CrystEngComm","2017","","","","","10.1039/C7CE00180K","","","0.71073","MoKα","","0.1155","0.0606","","","0.0651","0.0735","","","","","","1.193","","","","has coordinates,has disorder","197787","2020-10-21","18:00:00",""
"7228461","20.6616","0.0012","22.0358","0.0012","30.4391","0.0018","90","","105.96","0.006","90","","13324.6","1.4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C84 H100 Ag12 O50 S10 Si W12 -","- C84 H96.4 Ag12 O50 S10 Si W12 -","- C336 H385.6 Ag48 O200 S40 Si4 W48 -","4","0.5","","Hu, Ting; Li, Yu-Hang; Kuang, Xiao-Fei; Lu, Can-Zhong","Synthesis and characterization of polyoxometalate-based silver(i) phenylethynide compounds with antibacterial and antifungal activities","CrystEngComm","2017","","","","","10.1039/C7CE00180K","","","0.71073","MoKα","","0.1079","0.0569","","","0.0805","0.0891","","","","","","1.204","","","","has coordinates","197787","2020-10-21","18:00:00",""
"7228462","13.5633","0.0006","15.5962","0.0006","18.8084","0.0009","86.273","0.004","85.954","0.004","85.935","0.004","3951.5","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H65 Ag5 O50 S10 Si W12 -","- C28 H65 Ag5 O50 S10 Si W12 -","- C56 H130 Ag10 O100 S20 Si2 W24 -","2","1","","Hu, Ting; Li, Yu-Hang; Kuang, Xiao-Fei; Lu, Can-Zhong","Synthesis and characterization of polyoxometalate-based silver(i) phenylethynide compounds with antibacterial and antifungal activities","CrystEngComm","2017","","","","","10.1039/C7CE00180K","","","0.71073","MoKα","","0.1172","0.0726","","","0.0767","0.082","","","","","","1.091","","","","has coordinates","197787","2020-10-21","18:00:00",""
"7228463","10.278","0.003","10.999","0.003","14.002","0.004","102.274","0.007","100.019","0.007","109.594","0.006","1404.5","0.7","323","","323","","","","","","","","","5","P -1","-P 1","2","","","","- C27.45 H26.3 Cd N4.48 O6.48 -","- C27.455 H26.307 Cd N4.485 O6.485 -","- C54.91 H52.614 Cd2 N8.97 O12.97 -","2","1","","Tahier, Tayyibah; Oliver, Clive L.","A Cd mixed-ligand MOF showing Ligand-Disorder Induced Breathing Behaviour at High Temperature and Stepwise, Selective Carbon Dioxide Adsorption at Low Temperature","CrystEngComm","2017","","","","","10.1039/C7CE00715A","","","0.71073","MoKα","","0.0791","0.0704","","","0.2059","0.2135","","","","","","1.1","","","","has coordinates,has disorder","197788","2020-10-21","18:00:00",""
"7228464","10.234","0.0005","10.8368","0.0006","13.8265","0.0007","100.767","0.001","102.256","0.001","108.843","0.001","1363.02","0.12","104.15","","104.15","","","","","","","","","5","P -1","-P 1","2","","","","- C27.86 H25.34 Cd N4.62 O6.62 -","- C27.872 H25.368 Cd N4.624 O6.624 -","- C55.744 H50.736 Cd2 N9.248 O13.248 -","2","1","","Tahier, Tayyibah; Oliver, Clive L.","A Cd mixed-ligand MOF showing Ligand-Disorder Induced Breathing Behaviour at High Temperature and Stepwise, Selective Carbon Dioxide Adsorption at Low Temperature","CrystEngComm","2017","","","","","10.1039/C7CE00715A","","","0.71073","MoKα","","0.0362","0.0355","","","0.1057","0.1063","","","","","","1.141","","","","has coordinates,has disorder","197788","2020-10-21","18:00:00",""
"7228465","10.27","0.001","10.9495","0.0011","13.9134","0.0013","101.807","0.002","100.473","0.002","109.366","0.002","1391","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H21 Cd N4 O6 -","- C26 H21 Cd N4 O6 -","- C52 H42 Cd2 N8 O12 -","2","1","","Tahier, Tayyibah; Oliver, Clive L.","A Cd mixed-ligand MOF showing Ligand-Disorder Induced Breathing Behaviour at High Temperature and Stepwise, Selective Carbon Dioxide Adsorption at Low Temperature","CrystEngComm","2017","","","","","10.1039/C7CE00715A","","","0.71073","MoKα","","0.0235","0.0219","","","0.0562","0.057","","","","","","1.075","","","","has coordinates,has disorder","197788","2020-10-21","18:00:00",""
"7228466","10.27","0.001","10.9495","0.0011","13.9134","0.0013","101.807","0.002","100.473","0.002","109.366","0.002","1391","0.2","298.15","","298.15","","","","","","","","","5","P -1","-P 1","2","","","","- C27.69 H24.94 Cd N4.57 O6.57 -","- C27.698 H24.962 Cd N4.566 O6.566 -","- C55.396 H49.924 Cd2 N9.132 O13.132 -","2","1","","Tahier, Tayyibah; Oliver, Clive L.","A Cd mixed-ligand MOF showing Ligand-Disorder Induced Breathing Behaviour at High Temperature and Stepwise, Selective Carbon Dioxide Adsorption at Low Temperature","CrystEngComm","2017","","","","","10.1039/C7CE00715A","","","0.71073","MoKα","","0.0317","0.0299","","","0.0929","0.0942","","","","","","1.119","","","","has coordinates,has disorder","197788","2020-10-21","18:00:00",""
"7228467","27.33","0.006","10.234","0.002","20.922","0.005","90","","110.635","0.007","90","","5476","2","373.15","","373.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H21 Cd N4 O6 -","- C26 H21 Cd N4 O6 -","- C208 H168 Cd8 N32 O48 -","8","1","","Tahier, Tayyibah; Oliver, Clive L.","A Cd mixed-ligand MOF showing Ligand-Disorder Induced Breathing Behaviour at High Temperature and Stepwise, Selective Carbon Dioxide Adsorption at Low Temperature","CrystEngComm","2017","","","","","10.1039/C7CE00715A","","","0.71073","MoKα","","0.1198","0.0608","","","0.1558","0.1884","","","","","","1.017","","","","has coordinates,has disorder","197788","2020-10-21","18:00:00",""
"7228476","16.2181","0.0009","16.1822","0.0008","7.9215","0.0004","90","","90","","90","","2078.95","0.19","123","0.1","123","0.1","","","","","","","","4","P m m n","-P 2ab 2a","59","","","","- C41 H45 Br4 O10 -","- C41 H45 Br4 O10 -","- C82 H90 Br8 O20 -","2","","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Ras, Robin H.A.; Trant, John; Rissanen, Kari","Endo-/Exo- and Halogen Bonded Complexes of Conformationally Rigid Cethyl-2-bromoresorcinarene and aromatic N-oxides","CrystEngComm","2017","","","","","10.1039/C7CE00975E","","x-ray","1.54184","CuKα","","0.0497","0.0408","","","0.1006","0.1057","","","","","","1.059","","","","has coordinates,has disorder","197869","2020-10-21","18:00:00",""
"7228477","13.8485","0.0006","13.921","0.0004","14.3337","0.0004","90.848","0.002","115.869","0.004","90.012","0.003","2486.08","0.17","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C51 H56 Br4 N2 O11 -","- C51 H56 Br4 N2 O11 -","- C102 H112 Br8 N4 O22 -","2","1","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Ras, Robin H.A.; Trant, John; Rissanen, Kari","Endo-/Exo- and Halogen Bonded Complexes of Conformationally Rigid Cethyl-2-bromoresorcinarene and aromatic N-oxides","CrystEngComm","2017","","","","","10.1039/C7CE00975E","","x-ray","1.54184","CuKα","","0.0438","0.0381","","","0.0931","0.0966","","","","","","1.089","","","","has coordinates","197869","2020-10-21","18:00:00",""
"7228478","13.6699","0.0003","13.7198","0.0004","14.702","0.0005","114.673","0.003","90.898","0.002","92.597","0.002","2501.21","0.14","120.01","0.1","120.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C51 H56 Br4 N2 O11 -","- C51 H56 Br4 N2 O11 -","- C102 H112 Br8 N4 O22 -","2","1","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Ras, Robin H.A.; Trant, John; Rissanen, Kari","Endo-/Exo- and Halogen Bonded Complexes of Conformationally Rigid Cethyl-2-bromoresorcinarene and aromatic N-oxides","CrystEngComm","2017","","","","","10.1039/C7CE00975E","","x-ray","1.54184","CuKα","","0.0334","0.0289","","","0.0705","0.0741","","","","","","1.046","","","","has coordinates","197869","2020-10-21","18:00:00",""
"7228479","37.615","0.008","7.8003","0.0016","27.83","0.006","90","","120.42","0.03","90","","7041","3","120.01","0.1","120.01","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C75 H78 Br4 N6 O17 -","- C75 H78 Br4 N6 O17 -","- C300 H312 Br16 N24 O68 -","4","0.5","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Ras, Robin H.A.; Trant, John; Rissanen, Kari","Endo-/Exo- and Halogen Bonded Complexes of Conformationally Rigid Cethyl-2-bromoresorcinarene and aromatic N-oxides","CrystEngComm","2017","","","","","10.1039/C7CE00975E","","x-ray","0.71073","MoKα","","0.0605","0.0566","","","0.1443","0.1499","","","","","","1.053","","","","has coordinates","197869","2020-10-21","18:00:00",""
"7228480","13.7077","0.0004","13.9155","0.0004","13.9398","0.0004","90.621","0.002","116.716","0.003","96.052","0.002","2356.83","0.13","120.01","0.1","120.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C49 H52 Br4 N2 O11 -","- C49 H52 Br4 N2 O11 -","- C98 H104 Br8 N4 O22 -","2","1","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Ras, Robin H.A.; Trant, John; Rissanen, Kari","Endo-/Exo- and Halogen Bonded Complexes of Conformationally Rigid Cethyl-2-bromoresorcinarene and aromatic N-oxides","CrystEngComm","2017","","","","","10.1039/C7CE00975E","","x-ray","1.54184","CuKα","","0.0327","0.0294","","","0.0733","0.076","","","","","","1.028","","","","has coordinates","197869","2020-10-21","18:00:00",""
"7228481","14.85237","0.00016","7.94141","0.00008","24.9573","0.0002","90","","91.3906","0.0009","90","","2942.82","0.05","123","","123","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C56 H74 Br4 N2 O16 -","- C56 H74 Br4 N2 O16 -","- C112 H148 Br8 N4 O32 -","2","0.5","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Ras, Robin H.A.; Trant, John; Rissanen, Kari","Endo-/Exo- and Halogen Bonded Complexes of Conformationally Rigid Cethyl-2-bromoresorcinarene and aromatic N-oxides","CrystEngComm","2017","","","","","10.1039/C7CE00975E","","x-ray","1.54184","CuKα","","0.0288","0.0269","","","0.0664","0.0679","","","","","","1.028","","","","has coordinates,has disorder","197869","2020-10-21","18:00:00",""
"7228482","15.3678","0.0008","7.9991","0.0003","22.9088","0.0011","90","","104.628","0.005","90","","2724.9","0.2","120","","120","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C50 H61 Br4 N O12 -","- C50 H61 Br4 N O12 -","- C100 H122 Br8 N2 O24 -","2","0.5","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Ras, Robin H.A.; Trant, John; Rissanen, Kari","Endo-/Exo- and Halogen Bonded Complexes of Conformationally Rigid Cethyl-2-bromoresorcinarene and aromatic N-oxides","CrystEngComm","2017","","","","","10.1039/C7CE00975E","","x-ray","0.71073","MoKα","","0.0599","0.0467","","","0.1334","0.1434","","","","","","1.044","","","","has coordinates,has disorder","197869","2020-10-21","18:00:00",""
"7228483","31.3059","0.0019","8.0079","0.0005","23.0375","0.0017","90","","96.653","0.007","90","","5736.5","0.7","120","","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C57 H68 Br4 N2 O15 -","- C57 H68 Br4 N2 O15 -","- C228 H272 Br16 N8 O60 -","4","0.5","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Ras, Robin H.A.; Trant, John; Rissanen, Kari","Endo-/Exo- and Halogen Bonded Complexes of Conformationally Rigid Cethyl-2-bromoresorcinarene and aromatic N-oxides","CrystEngComm","2017","","","","","10.1039/C7CE00975E","","x-ray","0.71073","MoKα","","0.1101","0.0818","","","0.2002","0.2131","","","","","","1.146","","","","has coordinates","197869","2020-10-21","18:00:00",""
"7228484","25.3967","0.0006","7.7852","0.00018","27.8052","0.0008","90","","96.897","0.002","90","","5457.8","0.2","123","0.1","123","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H62 Br4 N2 O12 -","- C60 H62 Br4 N2 O12 -","- C240 H248 Br16 N8 O48 -","4","0.5","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Ras, Robin H.A.; Trant, John; Rissanen, Kari","Endo-/Exo- and Halogen Bonded Complexes of Conformationally Rigid Cethyl-2-bromoresorcinarene and aromatic N-oxides","CrystEngComm","2017","","","","","10.1039/C7CE00975E","","x-ray","1.54184","CuKα","","0.0631","0.0549","","","0.1512","0.1626","","","","","","1.125","","","","has coordinates,has disorder","197869","2020-10-21","18:00:00",""
"7228485","19.2354","0.0005","7.84234","0.00014","22.8722","0.0006","90","","114.269","0.003","90","","3145.37","0.15","123","0.1","123","0.1","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C72 H69 Br4 N3 O12 -","- C72 H69 Br4 N3 O12 -","- C144 H138 Br8 N6 O24 -","2","0.5","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Ras, Robin H.A.; Trant, John; Rissanen, Kari","Endo-/Exo- and Halogen Bonded Complexes of Conformationally Rigid Cethyl-2-bromoresorcinarene and aromatic N-oxides","CrystEngComm","2017","","","","","10.1039/C7CE00975E","","x-ray","1.54184","CuKα","","0.0539","0.0451","","","0.1081","0.1147","","","","","","1.02","","","","has coordinates,has disorder","197869","2020-10-21","18:00:00",""
"7228486","13.8438","0.0004","26.2609","0.0006","14.0294","0.0003","90","","91.72","0.002","90","","5098.1","0.2","120.01","0.1","120.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H57 Br4 N3 O11 -","- C54 H57 Br4 N3 O11 -","- C216 H228 Br16 N12 O44 -","4","1","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Ras, Robin H.A.; Trant, John; Rissanen, Kari","Endo-/Exo- and Halogen Bonded Complexes of Conformationally Rigid Cethyl-2-bromoresorcinarene and aromatic N-oxides","CrystEngComm","2017","","","","","10.1039/C7CE00975E","","x-ray","1.54184","CuKα","","0.0835","0.0757","","","0.2028","0.2078","","","","","","1.137","","","","has coordinates","197869","2020-10-21","18:00:00",""
"7228487","14.1188","0.0003","26.2939","0.0006","14.324","0.0003","90","","91.644","0.002","90","","5315.4","0.2","120.01","0.1","120.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C57 H56 Br4 N2 O11 -","- C57 H56 Br4 N2 O11 -","- C228 H224 Br16 N8 O44 -","4","1","","Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Ras, Robin H.A.; Trant, John; Rissanen, Kari","Endo-/Exo- and Halogen Bonded Complexes of Conformationally Rigid Cethyl-2-bromoresorcinarene and aromatic N-oxides","CrystEngComm","2017","","","","","10.1039/C7CE00975E","","x-ray","1.54184","CuKα","","0.1002","0.0873","","","0.217","0.2249","","","","","","1.173","","","","has coordinates","197869","2020-10-21","18:00:00",""
"7228488","6.9926","0.0002","20.0065","0.0005","7.0055","0.0002","90","","109.827","0.0008","90","","921.96","0.04","303","2","303","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- H K5 O18 U5 -","- K5 O18 U5 -","- K10 O36 U10 -","2","0.5","","Felder, Justin B.; Smith, Mark D.; zur Loye, Hans-Conrad","Supercritical synthesis and topological analysis of K5U5O17(OH)","CrystEngComm","2017","","","","","10.1039/C7CE00746A","","","0.71073","MoKα","","0.024","0.0197","","","0.0424","0.0434","","","","","","1.138","","","","has coordinates","197870","2020-10-21","18:00:00",""
"7228489","3.5787","0.0003","19.2352","0.0001","9.1906","0.0008","90","","93.645","0.002","90","","631.37","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","nitranilic acid","","","- C3 H7 N O7 -","- C3 H7 N O7 -","- C12 H28 N4 O28 -","4","1","","Molcanov, Kresimir; Jelsch, Christian; Wenger, Emmanuel; Stare, Jernej; Madsen, Anders Østergaard; Kojic-Prodic, Biserka","Experimental evidence of 3-centre, 2-electron covalent bond character of the central O-H-O fragment on the Zundel cation in crystals of Zundel nitranilate tetrahydrate","CrystEngComm","2017","","","","","10.1039/C7CE00501F","","","0.71073","MoKα","","0.0453","0.0301","","","0.0274","0.0295","","","","","","0.907","","","","has coordinates","197871","2020-10-21","18:00:00",""
"7228490","12.427","0.0007","12.6422","0.0007","12.9901","0.0007","77.653","0.002","65.074","0.001","80.762","0.002","1802.18","0.17","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H84 Cd2 Cl8 N24 Na2 O28 -","- C44 H51 Cd2 Cl8 N24 Na2 O25 -","- C44 H51 Cd2 Cl8 N24 Na2 O25 -","1","0.5","","Shen, Fang-Fang; Zhao, Jiang-Lin; Chen, Kai; Xu, Jing; Wang, Yuan; Hua, Zi-Yi; Wu, Lu; Chen, Mindong; Zhang, Yun-Qian; Tao, Zhu","Coordination and supramolecular assemblies of Mono-hydroxylated octamethylcucurbit[6]uril with alkali and alkaline earth metal ions in the presence of polychloride cadmium anions","CrystEngComm","2017","","","","","10.1039/C7CE00751E","","","0.71073","MoKα","","0.0655","0.055","","","0.143","0.1506","","","","","","1.068","","","","has coordinates,has disorder","197872","2020-10-21","18:00:00",""
"7228491","15.5481","0.0009","16.8984","0.0011","19.9892","0.0014","92.9","0.002","105.986","0.002","117.084","0.001","4399.1","0.5","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H115 Ba2 Cd Cl7 N24 O44 -","- C44 H50 Ba2 Cd Cl7 N24 O21 -","- C88 H100 Ba4 Cd2 Cl14 N48 O42 -","2","1","","Shen, Fang-Fang; Zhao, Jiang-Lin; Chen, Kai; Xu, Jing; Wang, Yuan; Hua, Zi-Yi; Wu, Lu; Chen, Mindong; Zhang, Yun-Qian; Tao, Zhu","Coordination and supramolecular assemblies of Mono-hydroxylated octamethylcucurbit[6]uril with alkali and alkaline earth metal ions in the presence of polychloride cadmium anions","CrystEngComm","2017","","","","","10.1039/C7CE00751E","","","0.71073","MoKα","","0.1066","0.0779","","","0.212","0.2277","","","","","","1.032","","","","has coordinates","197872","2020-10-21","18:00:00",""
"7228492","12.4437","0.0006","12.8568","0.0006","13.2281","0.0008","61.266","0.001","78.409","0.002","79.303","0.001","1808.08","0.16","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H82 Cd2 Cl8 K2 N24 O27 -","- C44 H52 Cd2 Cl8 K2 N24 O25 -","- C44 H52 Cd2 Cl8 K2 N24 O25 -","1","0.5","","Shen, Fang-Fang; Zhao, Jiang-Lin; Chen, Kai; Xu, Jing; Wang, Yuan; Hua, Zi-Yi; Wu, Lu; Chen, Mindong; Zhang, Yun-Qian; Tao, Zhu","Coordination and supramolecular assemblies of Mono-hydroxylated octamethylcucurbit[6]uril with alkali and alkaline earth metal ions in the presence of polychloride cadmium anions","CrystEngComm","2017","","","","","10.1039/C7CE00751E","","","0.71073","MoKα","","0.0941","0.0777","","","0.2061","0.2158","","","","","","1.075","","","","has coordinates,has disorder","197872","2020-10-21","18:00:00",""
"7228493","12.4425","0.0011","12.7747","0.0011","13.1991","0.0016","61.138","0.002","79.66","0.003","80.115","0.002","1798.7","0.3","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H79 Cd2 Cl8 N24 O25 Rb -","- C44 H48 Cd2 Cl8 N24 O21 Rb -","- C44 H48 Cd2 Cl8 N24 O21 Rb -","1","0.5","","Shen, Fang-Fang; Zhao, Jiang-Lin; Chen, Kai; Xu, Jing; Wang, Yuan; Hua, Zi-Yi; Wu, Lu; Chen, Mindong; Zhang, Yun-Qian; Tao, Zhu","Coordination and supramolecular assemblies of Mono-hydroxylated octamethylcucurbit[6]uril with alkali and alkaline earth metal ions in the presence of polychloride cadmium anions","CrystEngComm","2017","","","","","10.1039/C7CE00751E","","","0.71073","MoKα","","0.1085","0.0797","","","0.2146","0.2325","","","","","","1.051","","","","has coordinates,has disorder","197872","2020-10-21","18:00:00",""
"7228494","15.5487","0.0016","15.7451","0.0017","20.742","0.002","94.195","0.004","111.638","0.003","110.716","0.003","4292.2","0.8","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C88 H198 Cd3 Cl14 N48 O73 Sr4 -","- C88 H98 Cd3 Cl14 N48 O42 Sr4 -","- C88 H98 Cd3 Cl14 N48 O42 Sr4 -","1","0.5","","Shen, Fang-Fang; Zhao, Jiang-Lin; Chen, Kai; Xu, Jing; Wang, Yuan; Hua, Zi-Yi; Wu, Lu; Chen, Mindong; Zhang, Yun-Qian; Tao, Zhu","Coordination and supramolecular assemblies of Mono-hydroxylated octamethylcucurbit[6]uril with alkali and alkaline earth metal ions in the presence of polychloride cadmium anions","CrystEngComm","2017","","","","","10.1039/C7CE00751E","","","0.71073","MoKα","","0.1153","0.0931","","","0.2812","0.3006","","","","","","1.112","","","","has coordinates,has disorder","197872","2020-10-21","18:00:00",""
"7228495","12.8276","0.0003","15.6361","0.0004","16.4483","0.0004","90","","105.384","0.001","90","","3180.89","0.14","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","cucurbit[6]uril/Gly-Phe exclusion complex","","","- C47 H50 N26 O30 -","- C47 H50 N26 O30 -","- C94 H100 N52 O60 -","2","1","","Danylyuk, Oksana","Exploring cucurbit[6]uril-peptide interactions in the solid state: crystal structure of cucurbit[6]uril complexes with glycyl-containing dipeptides","CrystEngComm","2017","","","","","10.1039/C7CE00881C","","","0.71073","MoKα","","0.0936","0.0827","","","0.2047","0.2127","","","","","","1.088","","","","has coordinates","197874","2020-10-21","18:00:00",""
"7228496","12.8204","0.0014","15.4423","0.0009","16.4045","0.0011","90","","103.346","0.004","90","","3160","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","cucurbit[6]uril/Gly-Tyr exclusion complex","","","- C47 H50 N26 O29.5 -","- C47 H50 N26 O29.659 -","- C94 H100 N52 O59.318 -","2","1","","Danylyuk, Oksana","Exploring cucurbit[6]uril-peptide interactions in the solid state: crystal structure of cucurbit[6]uril complexes with glycyl-containing dipeptides","CrystEngComm","2017","","","","","10.1039/C7CE00881C","","","0.71073","MoKα","","0.1223","0.0807","","","0.1811","0.2098","","","","","","1.111","","","","has coordinates,has disorder","197874","2020-10-21","18:00:00",""
"7228497","31.3154","0.0005","31.3154","0.0005","14.3835","0.0002","90","","90","","90","","14105.2","0.4","100","2","100","2","","","","","","","","6","I 41/a","-I 4ad","88","cucurbit[6]uril/Gly-Gly exclusion complex","","","- C22 H26 Ca0.25 Cl0.5 N14 O18.38 -","- C22 H26 Ca0.25 Cl0.5 N14 O18.3868 -","- C352 H416 Ca4 Cl8 N224 O294.189 -","16","","","Danylyuk, Oksana","Exploring cucurbit[6]uril-peptide interactions in the solid state: crystal structure of cucurbit[6]uril complexes with glycyl-containing dipeptides","CrystEngComm","2017","","","","","10.1039/C7CE00881C","","","0.71073","MoKα","","0.0906","0.0769","","","0.2081","0.2234","","","","","","1.043","","","","has coordinates,has disorder","197874","2020-10-21","18:00:00",""
"7228498","12.6736","0.0002","15.6598","0.0002","16.4846","0.0003","90","","108.761","0.002","90","","3097.81","0.09","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","cucurbit[6]uril/Gly-Trp exclusion complex","","","- C49 H51 N27 O27.5 -","- C49 H51 N27 O27.473 -","- C98 H102 N54 O54.946 -","2","1","","Danylyuk, Oksana","Exploring cucurbit[6]uril-peptide interactions in the solid state: crystal structure of cucurbit[6]uril complexes with glycyl-containing dipeptides","CrystEngComm","2017","","","","","10.1039/C7CE00881C","","","1.54184","CuKα","","0.0668","0.0647","","","0.1792","0.182","","","","","","1.042","","","","has coordinates,has disorder","197874","2020-10-21","18:00:00",""
"7228506","13.297","0.002","6.6748","0.0011","19.359","0.003","90","","90","","90","","1718.2","0.5","100","2","100.01","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C14 H11 Cs N2 O7 S2 -","- C14 H11 Cs N2 O7 S2 -","- C56 H44 Cs4 N8 O28 S8 -","4","0.5","","Karothu, Durga Prasad; Jahovic, Ilma; Jovanovski , Gligor; Kaitner, Branko; Naumov, Pance","Ionic Cocrystals of Molecular Saccharin","CrystEngComm","2017","","","","","10.1039/C7CE00627F","","","0.71073","MoKα","","0.0564","0.0559","","","0.1261","0.1262","","","","","","1.366","","","","has coordinates","197898","2020-10-21","18:00:00",""
"7228507","13.113","0.016","6.541","0.008","19.17","0.02","90","","90","","90","","1644","3","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C14 H11 N2 O7 Rb S2 -","- C14 H11 N2 O7 Rb S2 -","- C56 H44 N8 O28 Rb4 S8 -","4","0.5","","Karothu, Durga Prasad; Jahovic, Ilma; Jovanovski , Gligor; Kaitner, Branko; Naumov, Pance","Ionic Cocrystals of Molecular Saccharin","CrystEngComm","2017","","","","","10.1039/C7CE00627F","","","0.71073","MoKα","","0.0668","0.0546","","","0.127","0.1299","","","","","","1.344","","","","has coordinates","197898","2020-10-21","18:00:00",""
"7228508","25.137","0.002","9.5401","0.0009","14.6473","0.0013","90","","94.042","0.002","90","","3503.8","0.5","100","2","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H9 N2 O6.5 Rb2 S2 -","- C14 H9 N2 O6.5 Rb2 S2 -","- C112 H72 N16 O52 Rb16 S16 -","8","1","","Karothu, Durga Prasad; Jahovic, Ilma; Jovanovski , Gligor; Kaitner, Branko; Naumov, Pance","Ionic Cocrystals of Molecular Saccharin","CrystEngComm","2017","","","","","10.1039/C7CE00627F","","","0.71073","MoKα","","0.041","0.0356","","","0.079","0.0814","","","","","","1","","","","has coordinates","197898","2020-10-21","18:00:00",""
"7228509","25.0793","0.0014","9.734","0.0005","15.1308","0.0008","90","","93.576","0.002","90","","3686.6","0.3","100","2","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H9 Cs2 N2 O6.5 S2 -","- C14 H9 Cs2 N2 O6.5 S2 -","- C112 H72 Cs16 N16 O52 S16 -","8","1","","Karothu, Durga Prasad; Jahovic, Ilma; Jovanovski , Gligor; Kaitner, Branko; Naumov, Pance","Ionic Cocrystals of Molecular Saccharin","CrystEngComm","2017","","","","","10.1039/C7CE00627F","","","0.71073","MoKα","","0.0332","0.0275","","","0.0769","0.0801","","","","","","1.003","","","","has coordinates","197898","2020-10-21","18:00:00",""
"7228510","10.4621","0.0005","11.6521","0.0005","12.3464","0.0005","87.205","0.004","89.13","0.004","88.881","0.004","1502.86","0.11","172.95","0.1","172.95","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C25 H24 Ca Cl2 Mn N3 O9.95 -","- C25 H24 Ca Cl2 Mn N3 O9.95 -","- C50 H48 Ca2 Cl4 Mn2 N6 O19.9 -","2","1","","Benniston, A. C.; Melnic, Silvia; Waddell, Paul G.; Sova, Sergiu","Evolution of Manganese-Calcium Cluster Structures based on Nitrogen and Oxygen Donor Ligands","CrystEngComm","2017","","","","","10.1039/C7CE00931C","","x-ray","0.71073","MoKα","","0.0713","0.0584","","","0.1462","0.1556","","","","","","1.037","","","","has coordinates,has disorder","197899","2020-10-21","18:00:00",""
"7228511","24.66","0.002","11.8933","0.001","20.3808","0.0014","90","","107.529","0.007","90","","5699.9","0.8","173","0.14","173","0.14","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C46 H54 Ca2 Cl4 Mn2 N8 O20 -","- C46 H54 Ca2 Cl4 Mn2 N8 O20 -","- C184 H216 Ca8 Cl16 Mn8 N32 O80 -","4","0.5","","Benniston, A. C.; Melnic, Silvia; Waddell, Paul G.; Sova, Sergiu","Evolution of Manganese-Calcium Cluster Structures based on Nitrogen and Oxygen Donor Ligands","CrystEngComm","2017","","","","","10.1039/C7CE00931C","","x-ray","0.71073","MoKα","","0.1294","0.0826","","","0.1918","0.2199","","","","","","1.036","","","","has coordinates,has disorder","197899","2020-10-21","18:00:00",""
"7228512","10.5975","0.0006","11.4166","0.0007","11.7527","0.0006","61.595","0.006","79.18","0.005","68.553","0.005","1163.97","0.14","150","0.2","150","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H42 Ca2 Cl0.8 Mn2 N9.2 O19.8 -","- C39 H42 Ca2 Cl0.8036 Mn2 N9.1964 O19.8036 -","- C39 H42 Ca2 Cl0.8036 Mn2 N9.1964 O19.8036 -","1","0.5","","Benniston, A. C.; Melnic, Silvia; Waddell, Paul G.; Sova, Sergiu","Evolution of Manganese-Calcium Cluster Structures based on Nitrogen and Oxygen Donor Ligands","CrystEngComm","2017","","","","","10.1039/C7CE00931C","","","1.54184","CuKα","","0.0549","0.0459","","","0.1149","0.1221","","","","","","1.044","","","","has coordinates,has disorder","197899","2020-10-21","18:00:00",""
"7228513","25.8236","0.0003","14.88011","0.0002","27.1462","0.0004","90","","107.259","0.0014","90","","9961.5","0.2","150","0.2","150","0.2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C156 H182 Ca4 Cl8 Mn12 N12 O99 -","- C156 H182 Ca4 Cl8 Mn12 N12 O99 -","- C312 H364 Ca8 Cl16 Mn24 N24 O198 -","2","0.25","","Benniston, A. C.; Melnic, Silvia; Waddell, Paul G.; Sova, Sergiu","Evolution of Manganese-Calcium Cluster Structures based on Nitrogen and Oxygen Donor Ligands","CrystEngComm","2017","","","","","10.1039/C7CE00931C","","","1.54184","CuKα","","0.0555","0.0384","","","0.0882","0.0991","","","","","","1.053","","","","has coordinates,has disorder","197899","2020-10-21","18:00:00",""
"7228514","9.4886","0.0007","13.8218","0.001","13.2987","0.001","90","","100.092","0.004","90","","1717.1","0.2","296","2","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H14 Be3 N4 O12 P4 -","- C6 H14 Be3 N4 O12 P4 -","- C24 H56 Be12 N16 O48 P16 -","4","0.5","","Zhang, Qinghua; Wang, Kangcai; Jin, Yunhe; Jiang, Linhai; Wang, Zhi","Construction of Hydrothermally Stable Beryllium Phosphite Open-Frameworks with High Proton Conductivity","CrystEngComm","2017","","","","","10.1039/C7CE00948H","","","0.71073","MoKα","","0.0465","0.0405","","","0.0961","0.0993","","","","","","1.053","","","","has coordinates","197900","2020-10-21","18:00:00",""
"7228515","8.3233","0.0005","8.4561","0.0006","13.3101","0.0008","96.149","0.003","95.184","0.003","111.344","0.003","859.02","0.1","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C6 H14 Be3 N4 O12 P4 -","- C6 H14 Be3 N4 O12 P4 -","- C12 H28 Be6 N8 O24 P8 -","2","1","","Zhang, Qinghua; Wang, Kangcai; Jin, Yunhe; Jiang, Linhai; Wang, Zhi","Construction of Hydrothermally Stable Beryllium Phosphite Open-Frameworks with High Proton Conductivity","CrystEngComm","2017","","","","","10.1039/C7CE00948H","","","0.71073","MoKα","","0.0599","0.0583","","","0.14","0.1412","","","","","","1.119","","","","has coordinates","197900","2020-10-21","18:00:00",""
"7228518","18.455","0.004","14.363","0.003","15.938","0.003","90","","113.45","0.03","90","","3875.7","1.6","153","2","153","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","9,9'-(ethyne-1,2-diyl)-bis(fluoren-9-ol)","","- C28 H18 O2 -","- C28 H18 O2 -","- C224 H144 O16 -","8","1","","Sykes, Nicole Margaret; Su, Hong; Weber, Edwin; Bourne, Susan A.; Nassimbeni, Luigi","Selectivity of Aliphatic Alcohols by Host-Guest Chemistry","CrystEngComm","2017","","","","","10.1039/C7CE00736A","","","0.71073","MoKα","","0.0446","0.0387","","","0.0982","0.1033","","","","","","1.04","","","","has coordinates","197955","2020-10-21","18:00:00",""
"7228519","8.513","0.0017","9.548","0.0019","12.017","0.002","101.52","0.03","103.71","0.03","114.49","0.03","813","0.5","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","9,9'-(ethyne-1,2-diyl)-bis(fluoren-9-ol) bis (2-pentanol) Clathrate","","- C38 H42 O4 -","- C38 H42 O4 -","- C38 H42 O4 -","1","0.5","","Sykes, Nicole Margaret; Su, Hong; Weber, Edwin; Bourne, Susan A.; Nassimbeni, Luigi","Selectivity of Aliphatic Alcohols by Host-Guest Chemistry","CrystEngComm","2017","","","","","10.1039/C7CE00736A","","","0.71073","MoKα","","0.0549","0.0455","","","0.1139","0.1209","","","","","","1.032","","","","has coordinates,has disorder","197955","2020-10-21","18:00:00",""
"7228520","9.6915","0.0019","15.38","0.003","16.438","0.003","91.21","0.03","98.29","0.03","91.87","0.03","2422.5","0.8","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","9,9'-(ethyne-1,2-diyl)-bis(fluoren-9-ol) bis (3-pentanol) Clathrate","","- C114 H125 O12 -","- C114 H125 O12 -","- C114 H125 O12 -","1","0.5","","Sykes, Nicole Margaret; Su, Hong; Weber, Edwin; Bourne, Susan A.; Nassimbeni, Luigi","Selectivity of Aliphatic Alcohols by Host-Guest Chemistry","CrystEngComm","2017","","","","","10.1039/C7CE00736A","","","0.71073","MoKα","","0.0694","0.0455","","","0.107","0.1201","","","","","","1.027","","","","has coordinates,has disorder","197955","2020-10-21","18:00:00",""
"7228521","8.8074","0.0018","13.145","0.003","14.259","0.003","75.84","0.03","73.56","0.03","78.7","0.03","1520.9","0.6","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","9,9'-(ethyne-1,2-diyl)-bis(fluoren-9-ol) bis (1-butanol) Clathrate","","- C36 H38 O4 -","- C36 H38 O4 -","- C72 H76 O8 -","2","1","","Sykes, Nicole Margaret; Su, Hong; Weber, Edwin; Bourne, Susan A.; Nassimbeni, Luigi","Selectivity of Aliphatic Alcohols by Host-Guest Chemistry","CrystEngComm","2017","","","","","10.1039/C7CE00736A","","","0.71073","MoKα","","0.0662","0.0457","","","0.1026","0.1137","","","","","","1.022","","","","has coordinates,has disorder","197955","2020-10-21","18:00:00",""
"7228522","9.7243","0.0019","10.424","0.002","14.814","0.003","94.05","0.03","102.03","0.03","93.31","0.03","1460.9","0.5","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","9,9'-(ethyne-1,2-diyl)-bis(fluoren-9-ol)","","- C28 H18 O2 -","- C28 H18 O2 -","- C84 H54 O6 -","3","1.5","","Sykes, Nicole Margaret; Su, Hong; Weber, Edwin; Bourne, Susan A.; Nassimbeni, Luigi","Selectivity of Aliphatic Alcohols by Host-Guest Chemistry","CrystEngComm","2017","","","","","10.1039/C7CE00736A","","","0.71073","MoKα","","0.0516","0.0418","","","0.1","0.1068","","","","","","1.025","","","","has coordinates","197955","2020-10-21","18:00:00",""
"7228523","9.869","0.002","13.153","0.003","14.186","0.003","63.18","0.03","86.27","0.03","83.31","0.03","1632","0.7","133","2","133","2","","","","","","","","3","P -1","-P 1","2","","9,9'-(ethyne-1,2-diyl)-bis(fluoren-9-ol) bis (3-methyl2-butanol) Clathrate","","- C38 H42 O4 -","- C38.005 H42.011 O4.001 -","- C76.01 H84.022 O8.002 -","2","1","","Sykes, Nicole Margaret; Su, Hong; Weber, Edwin; Bourne, Susan A.; Nassimbeni, Luigi","Selectivity of Aliphatic Alcohols by Host-Guest Chemistry","CrystEngComm","2017","","","","","10.1039/C7CE00736A","","","0.71073","MoKα","","0.06","0.0488","","","0.1243","0.1332","","","","","","1.03","","","","has coordinates,has disorder","197955","2020-10-21","18:00:00",""
"7228524","4.3125","0.0003","4.3125","0.0003","4.9711","0.0004","90","","90","","120","","80.065","0.01","99.99","0.14","100","1","","","","","","","","1","P 31 2 1","P 31 2""","152","Grey selenium","Selenium","","- Se -","- Se -","- Se3 -","3","0.5","","Boeré, René; Hill, Nathan D. D.","High Z’ structures of 1,2,3,5-dithiadiazolyls and of 1,2,3,5-diselenadiazolyls containing the first structurally characterized monomeric diselenadiazolyls","CrystEngComm","2017","","","","","10.1039/C7CE00863E","","x-ray","1.54184","CuKα","","0.0409","0.0409","","","0.109","0.109","","","","","","1.381","","","","has coordinates","198021","2020-10-21","18:00:00",""
"7228525","7.12511","0.00016","16.8803","0.0004","24.7194","0.0005","108.455","0.002","91.6884","0.0017","98.597","0.002","2779.15","0.11","100","0.11","100","0.11","","","","","","","No.","5","P -1","-P 1","2","","4-[3-(trifluoromethyl)phenyl]-3H-1,2,3,5-Dithiadiazol-3-yl","","- C8 H4 F3 N2 S2 -","- C8 H4 F3 N2 S2 -","- C96 H48 F36 N24 S24 -","12","6","","Boeré, René; Hill, Nathan D. D.","High Z’ structures of 1,2,3,5-dithiadiazolyls and of 1,2,3,5-diselenadiazolyls containing the first structurally characterized monomeric diselenadiazolyls","CrystEngComm","2017","","","","","10.1039/C7CE00863E","","x-ray","1.54184","CuKα","","0.0744","0.065","","","0.1609","0.1678","","","","","","1.059","","","","has coordinates","198021","2020-10-21","18:00:00",""
"7228526","9.379","0.003","10.667","0.004","20.458","0.007","80.562","0.004","84.783","0.004","81.218","0.004","1990.8","1.2","173","2","173","2","","","101","","","","","4","P -1","-P 1","2","","4-(3-cyano-5-tertbutyl-phenyl)-3H-1,2,3,5-diselenadiazol-3-yl","","- C12 H12 N3 Se2 -","- C12 H12 N3 Se2 -","- C72 H72 N18 Se12 -","6","3","","Boeré, René; Hill, Nathan D. D.","High Z’ structures of 1,2,3,5-dithiadiazolyls and of 1,2,3,5-diselenadiazolyls containing the first structurally characterized monomeric diselenadiazolyls","CrystEngComm","2017","","","","","10.1039/C7CE00863E","","x-ray","0.71073","MoKα","","0.1016","0.0532","","","0.1022","0.117","","","","","","0.918","","","","has coordinates,has disorder","198021","2020-10-21","18:00:00",""
"7228527","21.1972","0.0016","10.6954","0.0008","28.994","0.002","90","","93.661","0.001","90","","6559.9","0.8","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(3-cyano-5-tertbutyl-phenyl)-3H-1,2,3,5-diselenadiazol-3-yl","","- C12 H12 N3 Se2 -","- C12 H12 N3 Se2 -","- C240 H240 N60 Se40 -","20","5","","Boeré, René; Hill, Nathan D. D.","High Z’ structures of 1,2,3,5-dithiadiazolyls and of 1,2,3,5-diselenadiazolyls containing the first structurally characterized monomeric diselenadiazolyls","CrystEngComm","2017","","","","","10.1039/C7CE00863E","","x-ray","0.71073","MoKα","","0.0676","0.0379","","","0.074","0.0817","","","","","","1.036","","","","has coordinates,has disorder","198021","2020-10-21","18:00:00",""
"7228537","13.6727","0.0012","17.6172","0.0015","14.8361","0.0013","90","","116.334","0.001","90","","3202.8","0.5","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H33 N5 O6 -","- C37 H33 N5 O6 -","- C148 H132 N20 O24 -","4","1","","Drozd, Ksenia V.; Manin, Alex N.; Churakov, Andrei; Perlovich, German L.","A Novel Drug-Drug Cocrystal of Carbamazepine with para-Aminosalicylic Acid: Screening, Crystal Structure and Comparative Study of Carbamazepine Cocrystals Formation Thermodynamics","CrystEngComm","2017","","","","","10.1039/C7CE00831G","","","0.71073","MoKα","","0.0486","0.0382","","","0.0955","0.1026","","","","","","1.026","","","","has coordinates","198127","2020-10-21","18:00:00",""
"7228538","27.427","0.005","7.6402","0.0015","21.038","0.004","90","","119.263","0.002","90","","3845.9","1.3","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H19 N3 O4 -","- C22 H19 N3 O4 -","- C176 H152 N24 O32 -","8","1","","Drozd, Ksenia V.; Manin, Alex N.; Churakov, Andrei; Perlovich, German L.","A Novel Drug-Drug Cocrystal of Carbamazepine with para-Aminosalicylic Acid: Screening, Crystal Structure and Comparative Study of Carbamazepine Cocrystals Formation Thermodynamics","CrystEngComm","2017","","","","","10.1039/C7CE00831G","","","0.71073","MoKα","","0.0435","0.0385","","","0.1018","0.1058","","","","","","1.054","","","","has coordinates","198127","2020-10-21","18:00:00",""
"7228539","12.6443","0.0018","7.5232","0.0011","34.674","0.005","90","","96.811","0.003","90","","3275.1","0.8","183","2","183","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H35 N5 O6 -","- C38 H35 N5 O6 -","- C152 H140 N20 O24 -","4","1","","Drozd, Ksenia V.; Manin, Alex N.; Churakov, Andrei; Perlovich, German L.","A Novel Drug-Drug Cocrystal of Carbamazepine with para-Aminosalicylic Acid: Screening, Crystal Structure and Comparative Study of Carbamazepine Cocrystals Formation Thermodynamics","CrystEngComm","2017","","","","","10.1039/C7CE00831G","","","0.71073","MoKα","","0.052","0.0377","","","0.0839","0.0915","","","","","","1.012","","","","has coordinates","198127","2020-10-21","18:00:00",""
"7228543","27.973","0.001","27.973","0.001","27.973","0.001","90","","90","","90","","21888.6","1.4","293","2","293","2","","","","","","","","6","I 4 3 2","I 4 2 3","211","","","","- C68 H79.5 Cd3 K6 N16 O39.75 -","- C54 H24 Cd3 K6 N12 O33.75 -","- C432 H192 Cd24 K48 N96 O270 -","8","0.166667","","Xu, Xiao-Wu; Tian, Chong-Bin; Du, Shaowu","Synthesis, structure and luminescent properties of two Cd(II)/M(I) (M = K, Rb) interpenetrated heterometallic frameworks based on giant double-walled cages","CrystEngComm","2017","","","","","10.1039/C7CE00803A","","","0.71073","MoKα","","0.0426","0.0415","","","0.1083","0.1094","","","","","","1.031","","","","has coordinates","198149","2020-10-21","18:00:00",""
"7228544","28.0152","0.0016","28.0152","0.0016","28.0152","0.0016","90","","90","","90","","21988","2","293","2","293","2","","","","","","","","6","I 4 3 2","I 4 2 3","211","","","","- C68 H79.5 Cd3 N16 O39.75 Rb6 -","- C54 H24 Cd3 N12 O33.75 Rb6 -","- C432 H192 Cd24 N96 O270 Rb48 -","8","0.166667","","Xu, Xiao-Wu; Tian, Chong-Bin; Du, Shaowu","Synthesis, structure and luminescent properties of two Cd(II)/M(I) (M = K, Rb) interpenetrated heterometallic frameworks based on giant double-walled cages","CrystEngComm","2017","","","","","10.1039/C7CE00803A","","","0.71073","MoKα","","0.0592","0.0567","","","0.1596","0.1621","","","","","","1.033","","","","has coordinates","198149","2020-10-21","18:00:00",""
"7228545","10.1876","0.0005","10.6755","0.0005","17.318","0.0008","84.568","0.001","87.893","0.001","79.892","0.001","1845.52","0.15","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C78 H74 Cl0 Co3 N12 O26 -","- C78 H72 Co3 N12 O26 -","- C78 H72 Co3 N12 O26 -","1","0.5","","Xiong, Ying; Liu, Guo Cheng; Wang, Xiuli; Zhang, Juwen; Lin, Hongyan; Sha, Xiao Ting","Polycarboxylates-directed pyridyl-amide-based CoII complexes: fluorescent recognition of Fe3+ and Fe3±functionalized composite materials for enhancing photocatalytic activities","CrystEngComm","2017","","","","","10.1039/C7CE00800G","","","0.71073","MoKα","","0.0541","0.0396","","","0.1091","0.1221","","","","","","0.999","","","","has coordinates","198150","2020-10-21","18:00:00",""
"7228546","10.3445","0.0007","13.5425","0.0008","22.8387","0.0013","90","","98.715","0.001","90","","3162.5","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 Cl0 Co N4 O8 -","- C34 H28 Co N4 O8 -","- C136 H112 Co4 N16 O32 -","4","1","","Xiong, Ying; Liu, Guo Cheng; Wang, Xiuli; Zhang, Juwen; Lin, Hongyan; Sha, Xiao Ting","Polycarboxylates-directed pyridyl-amide-based CoII complexes: fluorescent recognition of Fe3+ and Fe3±functionalized composite materials for enhancing photocatalytic activities","CrystEngComm","2017","","","","","10.1039/C7CE00800G","","","0.71073","MoKα","","0.072","0.0442","","","0.1086","0.1229","","","","","","0.998","","","","has coordinates","198150","2020-10-21","18:00:00",""
"7228547","9.5613","0.0005","17.9661","0.0009","18.761","0.001","90","","101.496","0.001","90","","3158.1","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 Cl0 Co N4 O7 -","- C34 H28 Co N4 O7 -","- C136 H112 Co4 N16 O28 -","4","1","","Xiong, Ying; Liu, Guo Cheng; Wang, Xiuli; Zhang, Juwen; Lin, Hongyan; Sha, Xiao Ting","Polycarboxylates-directed pyridyl-amide-based CoII complexes: fluorescent recognition of Fe3+ and Fe3±functionalized composite materials for enhancing photocatalytic activities","CrystEngComm","2017","","","","","10.1039/C7CE00800G","","","0.71073","MoKα","","0.0745","0.0543","","","0.1651","0.182","","","","","","1.036","","","","has coordinates","198150","2020-10-21","18:00:00",""
"7228548","11.387","0.003","11.587","0.003","11.304","0.003","90","","90.075","0.005","90","","1491.5","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 Cl0 Co N4 O10 -","- C28 H30 Co N4 O10 -","- C56 H60 Co2 N8 O20 -","2","0.5","","Xiong, Ying; Liu, Guo Cheng; Wang, Xiuli; Zhang, Juwen; Lin, Hongyan; Sha, Xiao Ting","Polycarboxylates-directed pyridyl-amide-based CoII complexes: fluorescent recognition of Fe3+ and Fe3±functionalized composite materials for enhancing photocatalytic activities","CrystEngComm","2017","","","","","10.1039/C7CE00800G","","","0.71073","MoKα","","0.1022","0.0531","","","0.115","0.1352","","","","","","1.018","","","","has coordinates","198150","2020-10-21","18:00:00",""
"7228549","10.1194","0.0009","10.7614","0.0009","14.2972","0.0012","103.027","0.002","92.41","0.002","110.531","0.002","1408","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H25 Cl0 Co N5 O10 -","- C28 H25 Co N5 O10 -","- C56 H50 Co2 N10 O20 -","2","1","","Xiong, Ying; Liu, Guo Cheng; Wang, Xiuli; Zhang, Juwen; Lin, Hongyan; Sha, Xiao Ting","Polycarboxylates-directed pyridyl-amide-based CoII complexes: fluorescent recognition of Fe3+ and Fe3±functionalized composite materials for enhancing photocatalytic activities","CrystEngComm","2017","","","","","10.1039/C7CE00800G","","","0.71073","MoKα","","0.0944","0.0529","","","0.1069","0.1233","","","","","","1.001","","","","has coordinates","198150","2020-10-21","18:00:00",""
"7228550","8.752","0.0006","10.1217","0.0007","10.4337","0.0008","74.264","0.001","73.235","0.001","79.99","0.001","847.22","0.11","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 Cl0 Co N3 O6 -","- C18 H14 Co N3 O6 -","- C36 H28 Co2 N6 O12 -","2","1","","Xiong, Ying; Liu, Guo Cheng; Wang, Xiuli; Zhang, Juwen; Lin, Hongyan; Sha, Xiao Ting","Polycarboxylates-directed pyridyl-amide-based CoII complexes: fluorescent recognition of Fe3+ and Fe3±functionalized composite materials for enhancing photocatalytic activities","CrystEngComm","2017","","","","","10.1039/C7CE00800G","","","0.71073","MoKα","","0.05","0.0403","","","0.1054","0.1115","","","","","","1.014","","","","has coordinates","198150","2020-10-21","18:00:00",""
"7228551","6.6699","0.0005","34.308","0.003","9.1378","0.001","90","","102.639","0.005","90","","2040.3","0.3","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H8 F3 I3 N2 -","- C20 H8 F3 I3 N2 -","- C80 H32 F12 I12 N8 -","4","1","","Zhang, Pan; Bolla, Geetha; Qiu, Gege; Shu, Zhibin; Yan, Qingqing; Li, Qingyuan; Ding, Shang; Ni, Zhenjie; Zhu, Weigang; dong, huanli; Zhen, Yonggang; Hu, Wenping","Halogen bond cocrystal polymorphs of the 1,4‒di(4’‒pyridyl)‒1,3‒diacetylene","CrystEngComm","2017","","","","","10.1039/C7CE00892A","","","0.71073","MoKα","","0.0351","0.0316","","","0.0614","0.063","","","","","","1.201","","","","has coordinates","198151","2020-10-21","18:00:00",""
"7228552","10.309","0.002","8.9709","0.0018","22.251","0.005","90","","97.88","0.03","90","","2038.4","0.7","173.15","","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H8 F3 I3 N2 -","- C20 H8 F3 I3 N2 -","- C80 H32 F12 I12 N8 -","4","1","","Zhang, Pan; Bolla, Geetha; Qiu, Gege; Shu, Zhibin; Yan, Qingqing; Li, Qingyuan; Ding, Shang; Ni, Zhenjie; Zhu, Weigang; dong, huanli; Zhen, Yonggang; Hu, Wenping","Halogen bond cocrystal polymorphs of the 1,4‒di(4’‒pyridyl)‒1,3‒diacetylene","CrystEngComm","2017","","","","","10.1039/C7CE00892A","","","0.71073","MoKα","","0.0462","0.0413","","","0.0641","0.0657","","","","","","1.26","","","","has coordinates","198151","2020-10-21","18:00:00",""
"7228556","10.5498","0.0005","11.5578","0.0008","12.2337","0.0008","113.32","0.006","105.223","0.005","100.116","0.005","1254.24","0.17","298.54","0.1","298.54","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C44 H48 Dy2 N14 O16 -","- C44 H48 Dy2 N14 O16 -","- C44 H48 Dy2 N14 O16 -","1","0.5","","Yang, Jing; Ma, Fang; Deng, Xuebin; Sun, Hao-Ling; Zhang, Yiquan","Construction and magnetic study of two new dysprosium complexes with chain or tetranuclear structure","CrystEngComm","2017","","","","","10.1039/C7CE00747G","","x-ray","0.71073","MoKα","","0.0627","0.0488","","","0.0761","0.0865","","","","","","0.9946","","","","has coordinates","198184","2020-10-21","18:00:00",""
"7228557","10.5185","0.0004","12.0831","0.0004","16.6476","0.0004","104.64","0.003","93.446","0.003","92.084","0.003","2040.53","0.12","212","30","212","30","","","","","","","","5","P -1","-P 1","2","","","","- C78 H66 Dy4 N18 O22 -","- C78 H66 Dy4 N18 O22 -","- C78 H66 Dy4 N18 O22 -","1","0.5","","Yang, Jing; Ma, Fang; Deng, Xuebin; Sun, Hao-Ling; Zhang, Yiquan","Construction and magnetic study of two new dysprosium complexes with chain or tetranuclear structure","CrystEngComm","2017","","","","","10.1039/C7CE00747G","","x-ray","1.54184","CuKα","","0.0412","0.0338","","","0.0801","0.0857","","","","","","1.0244","","","","has coordinates","198184","2020-10-21","18:00:00",""
"7228558","27.619","0.003","12.3795","0.0015","13.8652","0.0017","90","","118.922","0.002","90","","4149.4","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H18 Mn N3 O6.5 -","- C23 H18 Mn N3 O6.5 -","- C184 H144 Mn8 N24 O52 -","8","1","","Bai, Nannan; Hou, Lei; Gao, Ruicheng; Liang, Ji Ye; Yang, Fan; Wang, Yao-Yu","Five 1D to 3D Zn(II)/Mn(II)-CPs Based on Dicarboxyphenyl-terpyridine Ligand: Stepwise Adsorptivity and Magnetic Properties","CrystEngComm","2017","","","","","10.1039/C7CE00786H","","","0.71073","MoKα","","0.0649","0.0417","","","0.0989","0.1112","","","","","","1.016","","","","has coordinates","198185","2020-10-21","18:00:00",""
"7228559","8.6165","0.0014","10.7021","0.0017","10.9629","0.0017","78.643","0.002","87.65","0.002","79.496","0.003","974.5","0.3","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H14 Cl Mn N3 O4 -","- C23 H14 Cl Mn N3 O4 -","- C46 H28 Cl2 Mn2 N6 O8 -","2","1","","Bai, Nannan; Hou, Lei; Gao, Ruicheng; Liang, Ji Ye; Yang, Fan; Wang, Yao-Yu","Five 1D to 3D Zn(II)/Mn(II)-CPs Based on Dicarboxyphenyl-terpyridine Ligand: Stepwise Adsorptivity and Magnetic Properties","CrystEngComm","2017","","","","","10.1039/C7CE00786H","","","","","","0.087","","","","","","","","","","","","","","","has coordinates","292204","2024-06-05","14:01:47",""
"7228560","8.613","0.003","18.593","0.006","38.594","0.012","90","","90","","90","","6181","4","296.15","","296.15","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C23 H13 N3 O4 Zn -","- C23 H13 N3 O4 Zn -","- C184 H104 N24 O32 Zn8 -","8","0.5","","Bai, Nannan; Hou, Lei; Gao, Ruicheng; Liang, Ji Ye; Yang, Fan; Wang, Yao-Yu","Five 1D to 3D Zn(II)/Mn(II)-CPs Based on Dicarboxyphenyl-terpyridine Ligand: Stepwise Adsorptivity and Magnetic Properties","CrystEngComm","2017","","","","","10.1039/C7CE00786H","","","0.71073","MoKα","","0.0412","0.0336","","","0.0761","0.0793","","","","","","0.974","","","","has coordinates,has disorder","198185","2020-10-21","18:00:00",""
"7228561","12.2314","0.0017","10.9907","0.0016","15.501","0.002","90","","100.877","0.002","90","","2046.4","0.5","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H15 N3 O5 Zn -","- C23 H15 N3 O5 Zn -","- C92 H60 N12 O20 Zn4 -","4","1","","Bai, Nannan; Hou, Lei; Gao, Ruicheng; Liang, Ji Ye; Yang, Fan; Wang, Yao-Yu","Five 1D to 3D Zn(II)/Mn(II)-CPs Based on Dicarboxyphenyl-terpyridine Ligand: Stepwise Adsorptivity and Magnetic Properties","CrystEngComm","2017","","","","","10.1039/C7CE00786H","","","0.71073","MoKα","","0.1156","0.0501","","","0.1074","0.133","","","","","","0.969","","","","has coordinates","198185","2020-10-21","18:00:00",""
"7228562","11.367","0.004","11.691","0.004","20.986","0.007","80.658","0.006","74.738","0.005","73.042","0.006","2562.4","1.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H49 Mn2 N6 O19 -","- C46 H48 Mn2 N6 O19 -","- C92 H96 Mn4 N12 O38 -","2","1","","Bai, Nannan; Hou, Lei; Gao, Ruicheng; Liang, Ji Ye; Yang, Fan; Wang, Yao-Yu","Five 1D to 3D Zn(II)/Mn(II)-CPs Based on Dicarboxyphenyl-terpyridine Ligand: Stepwise Adsorptivity and Magnetic Properties","CrystEngComm","2017","","","","","10.1039/C7CE00786H","","","0.71073","MoKα","","0.1056","0.0672","","","0.1954","0.2214","","","","","","1.028","","","","has coordinates","198185","2020-10-21","18:00:00",""
"7228576","7.131","0.005","10.833","0.008","16.834","0.016","103.207","0.013","96.13","0.013","107.927","0.009","1182.3","1.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H22 Cu N2 O14 -","- C21 H22 Cu N2 O14 -","- C42 H44 Cu2 N4 O28 -","2","1","","Fidelli, Athena M.; Kessler, Vadim G.; Escuer, Albert; Papaefstathiou, Giannis S.","Cu(II) frameworks from a “mixed-ligand” approach","CrystEngComm","2017","","","","","10.1039/C7CE01078H","","","0.71073","MoKα","","0.0553","0.0401","","","0.1039","0.1094","","","","","","1.027","","","","has coordinates","198222","2020-10-21","18:00:00",""
"7228577","7.9068","0.0007","9.2354","0.0009","11.096","0.001","104.38","0.001","106.168","0.001","101.919","0.001","719.97","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H24 Cu N4 O12 -","- C32 H24 Cu N4 O12 -","- C32 H24 Cu N4 O12 -","1","0.5","","Fidelli, Athena M.; Kessler, Vadim G.; Escuer, Albert; Papaefstathiou, Giannis S.","Cu(II) frameworks from a “mixed-ligand” approach","CrystEngComm","2017","","","","","10.1039/C7CE01078H","","","0.71073","MoKα","","0.0486","0.0397","","","0.1024","0.1075","","","","","","1.047","","","","has coordinates","198222","2020-10-21","18:00:00",""
"7228578","21.289","0.003","10.6498","0.0016","15.634","0.002","90","","105.939","0.002","90","","3408.3","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H15 Cu0.5 N2 O7 -","- C19 H15 Cu0.5 N2 O7 -","- C152 H120 Cu4 N16 O56 -","8","1","","Fidelli, Athena M.; Kessler, Vadim G.; Escuer, Albert; Papaefstathiou, Giannis S.","Cu(II) frameworks from a “mixed-ligand” approach","CrystEngComm","2017","","","","","10.1039/C7CE01078H","","","0.71073","MoKα","","0.0394","0.0304","","","0.0814","0.085","","","","","","0.989","","","","has coordinates","198222","2020-10-21","18:00:00",""
"7228579","15.436","0.002","10.2155","0.0017","12.2521","0.0019","90","","90","","90","","1932","0.5","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C20 H14 Cu2 N2 O9 -","- C20 H14 Cu2 N2 O9 -","- C80 H56 Cu8 N8 O36 -","4","1","","Fidelli, Athena M.; Kessler, Vadim G.; Escuer, Albert; Papaefstathiou, Giannis S.","Cu(II) frameworks from a “mixed-ligand” approach","CrystEngComm","2017","","","","","10.1039/C7CE01078H","","","0.71073","MoKα","","0.0254","0.0241","","","0.0637","0.0643","","","","","","1.071","","","","has coordinates","198222","2020-10-21","18:00:00",""
"7228580","23.644","0.003","11.6083","0.0016","18.18","0.003","90","","119.007","0.001","90","","4363.9","1.1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H34 Cu4 N4 O21 -","- C46 H34 Cu4 N4 O21 -","- C184 H136 Cu16 N16 O84 -","4","0.5","","Fidelli, Athena M.; Kessler, Vadim G.; Escuer, Albert; Papaefstathiou, Giannis S.","Cu(II) frameworks from a “mixed-ligand” approach","CrystEngComm","2017","","","","","10.1039/C7CE01078H","","","0.71073","MoKα","","0.0335","0.0289","","","0.077","0.0794","","","","","","1.057","","","","has coordinates","198222","2020-10-21","18:00:00",""
"7228581","10.208","0.006","16.333","0.009","27.106","0.015","90","","94.515","0.014","90","","4505","4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H35 Cu4 N4 O23 -","- C37 H27 Cu4 N4 O23 -","- C148 H108 Cu16 N16 O92 -","4","1","","Fidelli, Athena M.; Kessler, Vadim G.; Escuer, Albert; Papaefstathiou, Giannis S.","Cu(II) frameworks from a “mixed-ligand” approach","CrystEngComm","2017","","","","","10.1039/C7CE01078H","","","0.71073","MoKα","","0.0504","0.0468","","","0.1447","0.1467","","","","","","1.099","","","","has coordinates","198222","2020-10-21","18:00:00",""
"7228582","23.809","0.003","11.5102","0.0012","18.1434","0.0019","90","","119.925","0.001","90","","4309.2","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H17 Cu2 N2 O9 -","- C23 H17 Cu2 N2 O9 -","- C184 H136 Cu16 N16 O72 -","8","1","","Fidelli, Athena M.; Kessler, Vadim G.; Escuer, Albert; Papaefstathiou, Giannis S.","Cu(II) frameworks from a “mixed-ligand” approach","CrystEngComm","2017","","","","","10.1039/C7CE01078H","","","0.71073","MoKα","","0.0256","0.0229","","","0.0629","0.0642","","","","","","1.062","","","","has coordinates","198222","2020-10-21","18:00:00",""
"7228583","13.744","0.017","7.959","0.01","16.19","0.02","90","","94.942","0.015","90","","1764","4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 Cu0.5 N2 O7 -","- C19 H17 Cu0.5 N2 O7 -","- C76 H68 Cu2 N8 O28 -","4","1","","Fidelli, Athena M.; Kessler, Vadim G.; Escuer, Albert; Papaefstathiou, Giannis S.","Cu(II) frameworks from a “mixed-ligand” approach","CrystEngComm","2017","","","","","10.1039/C7CE01078H","","","0.71073","MoKα","","0.1002","0.0656","","","0.1581","0.1877","","","","","","0.837","","","","has coordinates","198222","2020-10-21","18:00:00",""
"7228584","8.658","0.005","8.814","0.005","13.685","0.005","99.284","0.005","95.029","0.005","102.349","0.005","998.7","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H42 Cu N4 O22 -","- C40 H42 Cu N4 O22 -","- C40 H42 Cu N4 O22 -","1","0.5","","Fidelli, Athena M.; Kessler, Vadim G.; Escuer, Albert; Papaefstathiou, Giannis S.","Cu(II) frameworks from a “mixed-ligand” approach","CrystEngComm","2017","","","","","10.1039/C7CE01078H","","","0.71073","MoKα","","0.037","0.0313","","","0.0859","0.0886","","","","","","1.113","","","","has coordinates","198222","2020-10-21","18:00:00",""
"7228585","11.7804","0.0005","12.0677","0.0006","14.8096","0.0008","99.043","0.002","94.199","0.002","93.992","0.002","2066.57","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H58 Br18 N6 O14 Pb6 -","- C48 H58 Br18 N6 O14 Pb6 -","- C48 H58 Br18 N6 O14 Pb6 -","1","0.5","","Sun, Cai; Wang, Ming-Sheng; Zhang, Xian; Zhang, Ning-Ning; Cai, Lin-Rong; Guo, Guo-Cong","Viologen-Templated Bromoplumbate: A New in situ Synthetic Method and Energy Gap Engineering","CrystEngComm","2017","","","","","10.1039/C7CE00919D","","","0.71073","MoKα","","0.0602","0.0393","","","0.0794","0.0823","","","","","","0.985","","","","has coordinates","198223","2020-10-21","18:00:00",""
"7228586","8.4909","0.0018","17.309","0.004","8.0641","0.0017","90","","101.652","0.004","90","","1160.7","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 N3 O3 -","- C12 H13 N3 O3 -","- C48 H52 N12 O12 -","4","1","","Goswami, Pramod Kumar; Kumar, Vineet; Thaimattam, Ram; Ramanan , A.","Structural landscape of multicomponent solids of 5-aminosalicylic acid","CrystEngComm","2017","","","","","10.1039/C7CE01008G","","","0.71073","MoKα","","0.1246","0.1004","","","0.1768","0.1879","","","","","","1.208","","","","has coordinates","198224","2020-10-21","18:00:00",""
"7228587","12.419","0.003","6.8084","0.0014","13.235","0.003","90","","109.272","0.003","90","","1056.4","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H11 N O8 S -","- C7 H11 N O8 S -","- C28 H44 N4 O32 S4 -","4","1","","Goswami, Pramod Kumar; Kumar, Vineet; Thaimattam, Ram; Ramanan , A.","Structural landscape of multicomponent solids of 5-aminosalicylic acid","CrystEngComm","2017","","","","","10.1039/C7CE01008G","","","0.71073","MoKα","","0.0543","0.0473","","","0.1043","0.1077","","","","","","1.162","","","","has coordinates","198224","2020-10-21","18:00:00",""
"7228588","8.187","0.005","15.276","0.01","17.425","0.011","90","","90","","90","","2179","2","298","2","298","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C24 H22 N4 O6 -","- C24 H22 N4 O6 -","- C96 H88 N16 O24 -","4","0.5","","Goswami, Pramod Kumar; Kumar, Vineet; Thaimattam, Ram; Ramanan , A.","Structural landscape of multicomponent solids of 5-aminosalicylic acid","CrystEngComm","2017","","","","","10.1039/C7CE01008G","","","0.71073","MoKα","","0.1736","0.0954","","","0.1719","0.2069","","","","","","1.038","","","","has coordinates","198224","2020-10-21","18:00:00",""
"7228589","16.767","0.004","6.8109","0.0014","22.399","0.005","90","","90","","90","","2557.9","1","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H8 Cl3 N O5 -","- C9 H8 Cl3 N O5 -","- C72 H64 Cl24 N8 O40 -","8","1","","Goswami, Pramod Kumar; Kumar, Vineet; Thaimattam, Ram; Ramanan , A.","Structural landscape of multicomponent solids of 5-aminosalicylic acid","CrystEngComm","2017","","","","","10.1039/C7CE01008G","","","0.71073","MoKα","","0.1005","0.097","","","0.2266","0.2298","","","","","","1.13","","","","has coordinates","198224","2020-10-21","18:00:00",""
"7228590","6.71","0.004","11.379","0.007","12.011","0.007","108.276","0.01","90.859","0.011","102.008","0.01","848.6","0.9","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 N2 O11 S -","- C14 H18 N2 O11 S -","- C28 H36 N4 O22 S2 -","2","1","","Goswami, Pramod Kumar; Kumar, Vineet; Thaimattam, Ram; Ramanan , A.","Structural landscape of multicomponent solids of 5-aminosalicylic acid","CrystEngComm","2017","","","","","10.1039/C7CE01008G","","","0.71073","MoKα","","0.1374","0.0621","","","0.0992","0.1172","","","","","","0.839","","","","has coordinates","198224","2020-10-21","18:00:00",""
"7228591","6.6805","0.0007","18.0494","0.0018","8.8346","0.0009","90","","96.66","0.002","90","","1058.08","0.19","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 N O6 S -","- C8 H11 N O6 S -","- C32 H44 N4 O24 S4 -","4","1","","Goswami, Pramod Kumar; Kumar, Vineet; Thaimattam, Ram; Ramanan , A.","Structural landscape of multicomponent solids of 5-aminosalicylic acid","CrystEngComm","2017","","","","","10.1039/C7CE01008G","","","0.71073","MoKα","","0.0333","0.0323","","","0.0846","0.0855","","","","","","1.058","","","","has coordinates","198224","2020-10-21","18:00:00",""
"7228592","5.261","0.003","35.453","0.02","5.591","0.003","90","","103.839","0.011","90","","1012.6","1","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H10 N2 O7 -","- C7 H10 N2 O7 -","- C28 H40 N8 O28 -","4","1","","Goswami, Pramod Kumar; Kumar, Vineet; Thaimattam, Ram; Ramanan , A.","Structural landscape of multicomponent solids of 5-aminosalicylic acid","CrystEngComm","2017","","","","","10.1039/C7CE01008G","","","0.71073","MoKα","","0.0993","0.0788","","","0.1585","0.1685","","","","","","1.144","","","","has coordinates","198224","2020-10-21","18:00:00",""
"7228593","8.401","0.003","9.361","0.004","14.212","0.006","101.827","0.008","96.58","0.008","106.511","0.008","1030.9","0.7","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H22 N4 O3 -","- C25 H22 N4 O3 -","- C50 H44 N8 O6 -","2","1","","Goswami, Pramod Kumar; Kumar, Vineet; Thaimattam, Ram; Ramanan , A.","Structural landscape of multicomponent solids of 5-aminosalicylic acid","CrystEngComm","2017","","","","","10.1039/C7CE01008G","","","0.71073","MoKα","","0.1341","0.0823","","","0.2271","0.2572","","","","","","1.077","","","","has coordinates","198224","2020-10-21","18:00:00",""
"7228594","6.5529","0.001","17.206","0.003","8.519","0.0013","90","","102.731","0.003","90","","936.9","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H12 N2 O3 -","- C9 H12 N2 O3 -","- C36 H48 N8 O12 -","4","1","","Goswami, Pramod Kumar; Kumar, Vineet; Thaimattam, Ram; Ramanan , A.","Structural landscape of multicomponent solids of 5-aminosalicylic acid","CrystEngComm","2017","","","","","10.1039/C7CE01008G","","","0.71073","MoKα","","0.0855","0.0767","","","0.1696","0.1748","","","","","","1.21","","","","has coordinates","198224","2020-10-21","18:00:00",""
"7228595","9.397","0.003","8.445","0.002","21.93","0.006","90","","91.071","0.005","90","","1740","0.8","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 N3 O3 -","- C20 H21 N3 O3 -","- C80 H84 N12 O12 -","4","1","","Goswami, Pramod Kumar; Kumar, Vineet; Thaimattam, Ram; Ramanan , A.","Structural landscape of multicomponent solids of 5-aminosalicylic acid","CrystEngComm","2017","","","","","10.1039/C7CE01008G","","","0.71073","MoKα","","0.0689","0.0543","","","0.1249","0.1322","","","","","","1.102","","","","has coordinates","198224","2020-10-21","18:00:00",""
"7228596","15.0721","0.0008","15.6298","0.0009","17.039","0.001","90","","92.792","0.002","90","","4009.2","0.4","173","2","173","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C81 H76 Ag2 As2 B2 F16 N8 O2 -","- C81 H76 Ag2 As2 B2 F16 N8 O2 -","- C162 H152 Ag4 As4 B4 F32 N16 O4 -","2","1","","Zhang, Fan; Baudron, Stéphane; Hosseini, Mir Wais","Solvent and anion effects on the organization of a luminescent [2+2] BODIPY/Ag(I) metallamacrocycle in the crystalline state","CrystEngComm","2017","","","","","10.1039/C7CE00997F","","","0.71073","MoKα","","0.0742","0.0442","","","0.0916","0.1037","","","","","","1.024","","","","has coordinates","198226","2020-10-21","18:00:00",""
"7228597","10.2626","0.0005","19.2729","0.001","21.5355","0.0011","112.493","0.002","91.099","0.002","92.32","0.002","3929.5","0.3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C78 H64 Ag2 B2 Cl8 F4 N8 O8 -","- C78 H64 Ag2 B2 Cl8 F4 N8 O8 -","- C156 H128 Ag4 B4 Cl16 F8 N16 O16 -","2","1","","Zhang, Fan; Baudron, Stéphane; Hosseini, Mir Wais","Solvent and anion effects on the organization of a luminescent [2+2] BODIPY/Ag(I) metallamacrocycle in the crystalline state","CrystEngComm","2017","","","","","10.1039/C7CE00997F","","","0.71073","MoKα","","0.1646","0.0631","","","0.1677","0.2037","","","","","","1.055","","","","has coordinates,has disorder","198226","2020-10-21","18:00:00",""
"7228598","8.0763","0.0004","18.6613","0.0011","10.3428","0.0005","90","","91.98","0.002","90","","1557.88","0.14","173","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C38 H31 B F2 N4 -","- C38 H31 B F2 N4 -","- C76 H62 B2 F4 N8 -","2","0.5","","Zhang, Fan; Baudron, Stéphane; Hosseini, Mir Wais","Solvent and anion effects on the organization of a luminescent [2+2] BODIPY/Ag(I) metallamacrocycle in the crystalline state","CrystEngComm","2017","","","","","10.1039/C7CE00997F","","","0.71073","MoKα","","0.1091","0.0645","","","0.1318","0.1531","","","","","","1.109","","","","has coordinates","198226","2020-10-21","18:00:00",""
"7228599","12.7233","0.0005","14.9725","0.0006","23.8231","0.001","90.384","0.002","91.008","0.002","103.876","0.002","4404.9","0.3","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C170 H158 Ag4 As4 B4 Cl6 F32 N16 O8 -","- C170 H158 Ag4 As4 B4 Cl6 F32 N16 O8 -","- C170 H158 Ag4 As4 B4 Cl6 F32 N16 O8 -","1","0.5","","Zhang, Fan; Baudron, Stéphane; Hosseini, Mir Wais","Solvent and anion effects on the organization of a luminescent [2+2] BODIPY/Ag(I) metallamacrocycle in the crystalline state","CrystEngComm","2017","","","","","10.1039/C7CE00997F","","","0.71073","MoKα","","0.17","0.0862","","","0.2291","0.2786","","","","","","1.037","","","","has coordinates","198226","2020-10-21","18:00:00",""
"7228600","9.9301","0.0008","23.0445","0.0019","13.4889","0.0011","90","","99.355","0.005","90","","3045.7","0.4","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C38 H32 N4 -","- C38 H32 N4 -","- C152 H128 N16 -","4","1","","Zhang, Fan; Baudron, Stéphane; Hosseini, Mir Wais","Solvent and anion effects on the organization of a luminescent [2+2] BODIPY/Ag(I) metallamacrocycle in the crystalline state","CrystEngComm","2017","","","","","10.1039/C7CE00997F","","","0.71073","MoKα","","0.1698","0.0657","","","0.1454","0.1871","","","","","","0.999","","","","has coordinates","198226","2020-10-21","18:00:00",""
"7228601","18.9253","0.0008","8.4818","0.0004","24.5491","0.0011","90","","101.466","0.002","90","","3862","0.3","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C39 H32 Ag B2 Cl3 F6 N4 -","- C39 H32 Ag B2 Cl3 F6 N4 -","- C156 H128 Ag4 B8 Cl12 F24 N16 -","4","1","","Zhang, Fan; Baudron, Stéphane; Hosseini, Mir Wais","Solvent and anion effects on the organization of a luminescent [2+2] BODIPY/Ag(I) metallamacrocycle in the crystalline state","CrystEngComm","2017","","","","","10.1039/C7CE00997F","","","0.71073","MoKα","","0.1842","0.1248","","","0.3275","0.3709","","","","","","1.025","","","","has coordinates,has disorder","198226","2020-10-21","18:00:00",""
"7228602","7.814","0.0013","5.7599","0.001","10.8324","0.0019","90","","90","","90","","487.54","0.15","130","2","130","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","tetrafluorodithietane","2,2,4,4-tetrafluoro-1,3-dithietane","","- C2 F4 S2 -","- C2 F4 S2 -","- C8 F16 S8 -","4","0.5","","nayak, susanta K.; Kumar, Vijith; Murray, Jane; Politzer, Peter; Terraneo, Giancarlo; Pilati, Tullio; Metrangolo, Pierangelo; Resnati, Giuseppe","Fluorination promotes chalcogen/tetrel bonding in crystalline solids","CrystEngComm","2017","","","","","10.1039/C7CE01070B","","","0.71073","MoKα","","0.0358","0.0271","","","0.0625","0.0649","","","","","","0.958","","","","has coordinates","198227","2020-10-21","18:00:00",""
"7228603","27.217","0.005","10.277","0.002","14.795","0.003","90","","110.06","0.03","90","","3887.2","1.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H30 F8 I2 N6 -","- C40 H30 F8 I2 N6 -","- C160 H120 F32 I8 N24 -","4","0.5","","Wang, Yufei; Shang, Hongxing; Li, Bao; Zhang, Houyu; Jiang, Shimei","Modulating the assembly of N-benzylideneaniline by halogen bonding: crystal, cocrystal and liquid crystals","CrystEngComm","2017","","","","","10.1039/C7CE00805H","","","0.71073","MoKα","","0.0358","0.0285","","","0.0742","0.0762","","","","","","1.086","","","","has coordinates","198273","2020-10-21","18:00:00",""
"7228604","6.2963","0.0013","10.568","0.002","22.978","0.005","90","","92.7","0.03","90","","1527.2","0.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H11 F4 I N2 -","- C15 H11 F4 I N2 -","- C60 H44 F16 I4 N8 -","4","2","","Wang, Yufei; Shang, Hongxing; Li, Bao; Zhang, Houyu; Jiang, Shimei","Modulating the assembly of N-benzylideneaniline by halogen bonding: crystal, cocrystal and liquid crystals","CrystEngComm","2017","","","","","10.1039/C7CE00805H","","","0.71073","MoKα","","0.0784","0.0569","","","0.1261","0.1366","","","","","","1.058","","","","has coordinates","198273","2020-10-21","18:00:00",""
"7228630","29.018","0.003","15.7877","0.0017","19.16","0.002","90","","107.517","0.001","90","","8370.7","1.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H48 N4 O25 Zn5 -","- C58 H48 N4 O25 Zn5 -","- C232 H192 N16 O100 Zn20 -","4","0.5","","Liu, Jian-Qiang; Kumar, Abhinav; SINGH, AMITA; Jin, Jun-Cheng; Deng, Fang-Yuan; Wu, Xiren; Luo, Zhidong","Luminescent sensing and photocatalytic degradation properties of an uncommon (4,5,5)-connected 3D MOF based on 3,5-di(3′, 5′-dicarboxylphenyl)benzoic acid: an experimental and computational study","CrystEngComm","2017","","","","","10.1039/C7CE01012E","","","0.71073","MoKα","","0.1435","0.089","","","0.2316","0.2574","","","","","","1.445","","","","has coordinates,has disorder","198445","2020-10-21","18:00:00",""
"7228631","24.267","0.003","16.0881","0.0019","12.0926","0.0015","90","","115.822","0.003","90","","4249.7","0.9","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H32 Cl2 Cu2 N6 O12 -","- C44 H32 Cl2 Cu2 N6 O12 -","- C176 H128 Cl8 Cu8 N24 O48 -","4","0.5","","Valdes-Martinez, Jesus; Martínez-Vargas, Sergio; Dorazco-Gonzalez, Alejandro; Barquera-Lozada, Jose Enrique; Ortega, Simon Hernandez; Toscano, Ruben Alfredo","Interaction Between Aromatic Rings as Organizing Tools and Semicoordination in Cu(II) Compounds.","CrystEngComm","2017","","","","","10.1039/C7CE00871F","","","0.71073","MoKα","","0.1485","0.0884","","","0.1795","0.2077","","","","","","1.016","","","","has coordinates,has disorder","198446","2020-10-21","18:00:00",""
"7228632","12.7752","0.0008","24.8336","0.0015","13.2397","0.0008","90","","113.343","0.001","90","","3856.5","0.4","291","2","291","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H22 Cl2 Cu2 F4 N6 O12 -","- C38 H22 Cl2 Cu2 F4 N6 O12 -","- C152 H88 Cl8 Cu8 F16 N24 O48 -","4","1","","Valdes-Martinez, Jesus; Martínez-Vargas, Sergio; Dorazco-Gonzalez, Alejandro; Barquera-Lozada, Jose Enrique; Ortega, Simon Hernandez; Toscano, Ruben Alfredo","Interaction Between Aromatic Rings as Organizing Tools and Semicoordination in Cu(II) Compounds.","CrystEngComm","2017","","","","","10.1039/C7CE00871F","","","0.71073","MoKα","","0.069","0.0402","","","0.0696","0.0749","","","","","","0.817","","","","has coordinates,has disorder","198446","2020-10-21","18:00:00",""
"7228633","9.685","0.001","10.557","0.001","12.396","0.001","107.106","0.002","100.958","0.002","96.022","0.002","1171.67","0.19","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H34 Cu2 F8 N6 O14 -","- C46 H34 Cu2 F8 N6 O14 -","- C46 H34 Cu2 F8 N6 O14 -","1","0.5","","Valdes-Martinez, Jesus; Martínez-Vargas, Sergio; Dorazco-Gonzalez, Alejandro; Barquera-Lozada, Jose Enrique; Ortega, Simon Hernandez; Toscano, Ruben Alfredo","Interaction Between Aromatic Rings as Organizing Tools and Semicoordination in Cu(II) Compounds.","CrystEngComm","2017","","","","","10.1039/C7CE00871F","","","0.71073","MoKα","","0.0522","0.0409","","","0.0899","0.0936","","","","","","0.951","","","","has coordinates,has disorder","198446","2020-10-21","18:00:00",""
"7228654","7.7705","0.0005","21.1114","0.0015","29.069","0.002","90","","90","","90","","4768.7","0.6","100","2","100","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C13 H34 Br3 N O8 Pb -","- C13 H34 Br3 N O8 Pb -","- C104 H272 Br24 N8 O64 Pb8 -","8","1","","Kollek, Tom; Polarz, Sebastian","Facet-Controlled Preparation of Hybrid Perovskite Microcrystals in the Gas Phase and the Remarkable Effect on Optoelectronic Properties","CrystEngComm","2017","","","","","10.1039/C7CE00839B","","","0.71073","MoKα","","0.0659","0.0475","","","0.1213","0.134","","","","","","1.014","","","","has coordinates","198565","2020-10-21","18:00:00",""
"7228655","23.508","0.005","5.978","0.0012","25.257","0.005","90","","99.95","0.03","90","","3496","1.3","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C32 H22 Cu3 N8 O10 -","- C32 H22 Cu3 N8 O10 -","- C128 H88 Cu12 N32 O40 -","4","0.5","","li, bao; Mao, Nannan; hu, peng; Yu, Fan; Chen, Xi; Zhuang, Gui-lin; Zhang, Tianle","A series of transitional metal coordination polymers based on a rigid bi-functional carboxylate-triazolate tecton","CrystEngComm","2017","","","","","10.1039/C7CE00808B","","","0.71073","MoKα","","0.0378","0.036","","","0.1009","0.1029","","","","","","1.05","","","","has coordinates","198566","2020-10-21","18:00:00",""
"7228656","7.483","0.0015","14.109","0.003","17.972","0.004","90","","90","","90","","1897.4","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 Mn N5 O5 -","- C19 H17 Mn N5 O5 -","- C76 H68 Mn4 N20 O20 -","4","1","","li, bao; Mao, Nannan; hu, peng; Yu, Fan; Chen, Xi; Zhuang, Gui-lin; Zhang, Tianle","A series of transitional metal coordination polymers based on a rigid bi-functional carboxylate-triazolate tecton","CrystEngComm","2017","","","","","10.1039/C7CE00808B","","","0.71073","MoKα","","0.0453","0.0453","","","0.1229","0.1229","","","","","","1.074","","","","has coordinates","198566","2020-10-21","18:00:00",""
"7228657","22.5432","0.0016","7.6652","0.0004","22.7737","0.0011","90","","102.378","0.006","90","","3843.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H34 N10 O10 Zn2 -","- C38 H34 N10 O10 Zn2 -","- C152 H136 N40 O40 Zn8 -","4","1","","li, bao; Mao, Nannan; hu, peng; Yu, Fan; Chen, Xi; Zhuang, Gui-lin; Zhang, Tianle","A series of transitional metal coordination polymers based on a rigid bi-functional carboxylate-triazolate tecton","CrystEngComm","2017","","","","","10.1039/C7CE00808B","","x-ray","0.71073","MoKα","","0.0688","0.0533","","","0.1164","0.1297","","","","","","1.159","","","","has coordinates","198566","2020-10-21","18:00:00",""
"7228658","8.227","0.0006","21.5096","0.0009","23.8825","0.0011","90","","90","","90","","4226.2","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H21 N5 O6 Zn -","- C20 H21 N5 O6 Zn -","- C160 H168 N40 O48 Zn8 -","8","1","","li, bao; Mao, Nannan; hu, peng; Yu, Fan; Chen, Xi; Zhuang, Gui-lin; Zhang, Tianle","A series of transitional metal coordination polymers based on a rigid bi-functional carboxylate-triazolate tecton","CrystEngComm","2017","","","","","10.1039/C7CE00808B","","x-ray","0.71073","MoKα","","0.0435","0.035","","","0.0808","0.0871","","","","","","1.056","","","","has coordinates","198566","2020-10-21","18:00:00",""
"7228659","7.585","0.0015","14.052","0.003","18.237","0.004","90","","90","","90","","1943.8","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H10 Cd N4 O4 -","- C16 H10 Cd N4 O4 -","- C64 H40 Cd4 N16 O16 -","4","1","","li, bao; Mao, Nannan; hu, peng; Yu, Fan; Chen, Xi; Zhuang, Gui-lin; Zhang, Tianle","A series of transitional metal coordination polymers based on a rigid bi-functional carboxylate-triazolate tecton","CrystEngComm","2017","","","","","10.1039/C7CE00808B","","","0.71073","MoKα","","0.0515","0.0511","","","0.1468","0.1485","","","","","","1.095","","","","has coordinates","198566","2020-10-21","18:00:00",""
"7228660","8.8008","0.001","10.319","0.002","11.1239","0.001","90","","96.59","0.01","90","","1003.5","0.2","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H10 I N2 O S -","- C6 H10 I N2 O S -","- C24 H40 I4 N8 O4 S4 -","4","1","","Lippolis, Vito; Aragoni, Maria Carla; Arca, Massimiliano; Isaia, Francesco; Demartin, Francesco; Bauza, Antonio; Frontera, Antonio; Montis, Riccardo","Hydrogen- and halogen-bond cooperativity in determining the crystal packing of dihalogen Charge-Transfer adducts: a study case from heterocyclic pentatomic chalcogenone donors","CrystEngComm","2017","","","","","10.1039/C7CE01035D","","","0.71073","MoKα","","0.0252","0.0192","","","0.0503","0.0523","","","","","","1.06","","","","has coordinates","198567","2020-10-21","18:00:00",""
"7228661","7.786","0.003","8.719","0.004","9.403","0.004","62.62","0.04","89.52","0.04","66.88","0.04","509.6","0.5","294","2","294","2","","","","","","","","7","P -1","-P 1","2","","","","- C5 H8 Br I N2 O S -","- C5 H8 Br I N2 O S -","- C10 H16 Br2 I2 N4 O2 S2 -","2","1","","Lippolis, Vito; Aragoni, Maria Carla; Arca, Massimiliano; Isaia, Francesco; Demartin, Francesco; Bauza, Antonio; Frontera, Antonio; Montis, Riccardo","Hydrogen- and halogen-bond cooperativity in determining the crystal packing of dihalogen Charge-Transfer adducts: a study case from heterocyclic pentatomic chalcogenone donors","CrystEngComm","2017","","","","","10.1039/C7CE01035D","","","0.71073","MoKα","","0.05","0.0307","","","0.115","0.1864","","","","","","1.323","","","","has coordinates","198567","2020-10-21","18:00:00",""
"7228662","7.9","0.002","11.379","0.003","12.977","0.005","90","","95.6","0.03","90","","1161","0.6","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H10 I2 N2 O S -","- C6 H10 I2 N2 O S -","- C24 H40 I8 N8 O4 S4 -","4","1","","Lippolis, Vito; Aragoni, Maria Carla; Arca, Massimiliano; Isaia, Francesco; Demartin, Francesco; Bauza, Antonio; Frontera, Antonio; Montis, Riccardo","Hydrogen- and halogen-bond cooperativity in determining the crystal packing of dihalogen Charge-Transfer adducts: a study case from heterocyclic pentatomic chalcogenone donors","CrystEngComm","2017","","","","","10.1039/C7CE01035D","","","0.71073","MoKα","","0.0383","0.0258","","","0.0683","0.0721","","","","","","1.103","","","","has coordinates","198567","2020-10-21","18:00:00",""
"7228663","12.3804","0.0005","25.0918","0.0008","15.6377","0.0005","90","","110.287","0.002","90","","4556.5","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H36 N2 O10 S3 -","- C45 H36 N2 O10 S3 -","- C180 H144 N8 O40 S12 -","4","1","","Purohit, Chandra Shekhar; Illa, Giri teja; Hazra, Sohan; Satha, Pardhasaradhi","Hydrogen Bonded Molecular Capsule: Probing Role of Water Molecules for Capsule Formation in a Modified Cyclotricatechylene","CrystEngComm","2017","","","","","10.1039/C7CE01075C","","","0.71073","MoKα","","0.1003","0.072","","","0.2274","0.248","","","","","","1.097","","","","has coordinates,has disorder","198568","2020-10-21","18:00:00",""
"7228664","16.8196","0.0007","14.4225","0.0005","17.2295","0.0008","90","","99.568","0.003","90","","4121.4","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42.6 H52.8 N2 O10.52 S1.8 -","- C42.6 H52.8 N2 O10.521 S1.8 -","- C170.4 H211.2 N8 O42.084 S7.2 -","4","1","","Purohit, Chandra Shekhar; Illa, Giri teja; Hazra, Sohan; Satha, Pardhasaradhi","Hydrogen Bonded Molecular Capsule: Probing Role of Water Molecules for Capsule Formation in a Modified Cyclotricatechylene","CrystEngComm","2017","","","","","10.1039/C7CE01075C","","","0.71073","MoKα","","0.1042","0.0736","","","0.2154","0.2409","","","","","","1.045","","","","has coordinates","198568","2020-10-21","18:00:00",""
"7228665","20.6307","0.0007","20.0351","0.0008","12.2542","0.0004","90","","90","","90","","5065.1","0.3","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C48 H45 N3 O6 -","- C48 H45 N3 O6 -","- C192 H180 N12 O24 -","4","1","","Purohit, Chandra Shekhar; Illa, Giri teja; Hazra, Sohan; Satha, Pardhasaradhi","Hydrogen Bonded Molecular Capsule: Probing Role of Water Molecules for Capsule Formation in a Modified Cyclotricatechylene","CrystEngComm","2017","","","","","10.1039/C7CE01075C","","","0.71073","MoKα","","0.101","0.0494","","","0.0875","0.0962","","","","","","0.975","","","","has coordinates","198568","2020-10-21","18:00:00",""
"7228666","9.8504","0.0001","7.4915","0.0002","31.4272","0.0008","90","","90","","90","","2319.15","0.09","90","0.2","90","0.2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H10 Cl N O2 -","- C13 H10 Cl N O2 -","- C104 H80 Cl8 N8 O16 -","8","1","","Liu, Meng; Yin, Chuming; Chen, Peng; Zhang, Mingtao; Parkin, Sean R.; Zhou, Panpan; Li, Tonglei; Yu, Faquan; Long, Sihui","sp2CH…Cl Hydrogen Bond in the Conformational Polymorphism of 4-Chloro-phenylanthranilic acid","CrystEngComm","2017","","","","","10.1039/C7CE00772H","","","0.71073","MoKα","","0.119","0.0531","","","0.1269","0.1573","","","","","","0.988","","","","has coordinates","198569","2020-10-21","18:00:00",""
"7228667","8.2249","0.0002","10.1269","0.0003","13.7993","0.0004","88.2266","0.0011","85.954","0.0011","81.4168","0.0011","1133.43","0.05","90","0.2","90","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H10 Cl N O2 -","- C13 H10 Cl N O2 -","- C52 H40 Cl4 N4 O8 -","4","2","","Liu, Meng; Yin, Chuming; Chen, Peng; Zhang, Mingtao; Parkin, Sean R.; Zhou, Panpan; Li, Tonglei; Yu, Faquan; Long, Sihui","sp2CH…Cl Hydrogen Bond in the Conformational Polymorphism of 4-Chloro-phenylanthranilic acid","CrystEngComm","2017","","","","","10.1039/C7CE00772H","","","0.71073","MoKα","","0.0908","0.0433","","","0.0853","0.0993","","","","","","0.986","","","","has coordinates","198569","2020-10-21","18:00:00",""
"7228668","9.9015","0.0002","10.7701","0.0002","11.3935","0.0002","90.2523","0.0008","103.899","0.0008","102.716","0.0008","1148.4","0.04","90","0.2","90","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H10 Cl N O2 -","- C13 H10 Cl N O2 -","- C52 H40 Cl4 N4 O8 -","4","2","","Liu, Meng; Yin, Chuming; Chen, Peng; Zhang, Mingtao; Parkin, Sean R.; Zhou, Panpan; Li, Tonglei; Yu, Faquan; Long, Sihui","sp2CH…Cl Hydrogen Bond in the Conformational Polymorphism of 4-Chloro-phenylanthranilic acid","CrystEngComm","2017","","","","","10.1039/C7CE00772H","","","0.71073","MoKα","","0.0668","0.0402","","","0.1015","0.1148","","","","","","1.051","","","","has coordinates","198569","2020-10-21","18:00:00",""
"7228685","8.6672","0.0005","24.3174","0.0015","10.4133","0.0006","90","","108.696","0.001","90","","2078.9","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 Cu O11 -","- C16 H24 Cu O11 -","- C64 H96 Cu4 O44 -","4","1","","Portolés-Gil, Núria; Parra-Aliana, Ricard; Alvarez, Angel; Domingo, Concepcion; Ayllon, Jose Antonio; Lopez-Periago, Ana M","Bottom-up approach for the preparation of hybrid nanosheets based on coordination polymers made of metal-diethyloxaloacetates complexes linked by 4,4’-bipyridine.","CrystEngComm","2017","","","","","10.1039/C7CE00909G","","","0.71073","MoKα","","0.0848","0.0492","","","0.1242","0.1414","","","","","","1.024","","","","has coordinates,has disorder","211179","2020-10-21","18:00:00",""
"7228686","11.6167","0.0006","11.6167","0.0006","27.984","0.0014","90","","90","","90","","3776.4","0.3","296","2","296","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C34 H50 Co N2 O11 -","- C34 H50 Co N2 O11 -","- C136 H200 Co4 N8 O44 -","4","0.5","","Portolés-Gil, Núria; Parra-Aliana, Ricard; Alvarez, Angel; Domingo, Concepcion; Ayllon, Jose Antonio; Lopez-Periago, Ana M","Bottom-up approach for the preparation of hybrid nanosheets based on coordination polymers made of metal-diethyloxaloacetates complexes linked by 4,4’-bipyridine.","CrystEngComm","2017","","","","","10.1039/C7CE00909G","","","0.71073","MoKα","","0.0828","0.0439","","","0.0892","0.1014","","","","","","1.033","","","","has coordinates,has disorder","211179","2020-10-21","18:00:00",""
"7228687","34.9049","0.0014","14.9409","0.0006","34.5319","0.0014","90","","107.565","0.0008","90","","17169.1","1.2","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64.56 H48.48 I6 N12 Zn3 -","- C64.574 H48.492 I6 N12 Zn3 -","- C516.592 H387.936 I48 N96 Zn24 -","8","1","","Ramadhar, Timothy R.; Zheng, Shao-Liang; Chen, Yu-Sheng; Clardy, Jon","The Crystalline Sponge Method: A Solvent-Based Strategy to Facilitate Noncovalent Ordered Trapping of Solid and Liquid Organic Compounds","CrystEngComm","2017","","","","","10.1039/C7CE00885F","","x-ray","0.41328","synchrotron","","0.0586","0.0524","","","0.1735","0.1811","","","","","","1.029","","","","has coordinates,has disorder","198736","2020-10-21","18:00:00",""
"7228688","14.9223","0.0008","18.9078","0.0011","32.591","0.0018","102.728","0.001","91.7744","0.001","110.796","0.0009","8324.8","0.8","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C88.57 H64.57 I12 N24 O6.21 Zn6 -","- C88.568 H64.568 I12 N24 O6.213 Zn6 -","- C177.136 H129.136 I24 N48 O12.426 Zn12 -","2","1","","Ramadhar, Timothy R.; Zheng, Shao-Liang; Chen, Yu-Sheng; Clardy, Jon","The Crystalline Sponge Method: A Solvent-Based Strategy to Facilitate Noncovalent Ordered Trapping of Solid and Liquid Organic Compounds","CrystEngComm","2017","","","","","10.1039/C7CE00885F","","x-ray","0.41328","synchrotron","","0.0842","0.0718","","","0.2339","0.2452","","","","","","1.06","","","","has coordinates,has disorder","198736","2020-10-21","18:00:00",""
"7228689","35.2912","0.0017","14.8832","0.0007","30.9415","0.0015","90","","101.827","0.001","90","","15906.9","1.3","100","2","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C44.03 H34.79 F1.99 I6 N13.99 O0.68 Zn3 -","- C44.031 H34.788 F1.989 I6 N13.989 O0.678 Zn3 -","- C352.248 H278.304 F15.912 I48 N111.912 O5.424 Zn24 -","8","1","","Ramadhar, Timothy R.; Zheng, Shao-Liang; Chen, Yu-Sheng; Clardy, Jon","The Crystalline Sponge Method: A Solvent-Based Strategy to Facilitate Noncovalent Ordered Trapping of Solid and Liquid Organic Compounds","CrystEngComm","2017","","","","","10.1039/C7CE00885F","","","0.41328","synchrotron","","0.0747","0.0576","","","0.2032","0.2271","","","","","","1.158","","","","has coordinates,has disorder","198736","2020-10-21","18:00:00",""
"7228690","35.252","0.002","14.8612","0.0008","35.233","0.002","90","","108.117","0.0011","90","","17543.1","1.7","100","","100","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C89.08 H75.94 I12 N24 O5.28 Zn6 -","- C89.065 H75.922 I12 N24 O5.275 Zn6 -","- C356.26 H303.688 I48 N96 O21.1 Zn24 -","4","1","","Ramadhar, Timothy R.; Zheng, Shao-Liang; Chen, Yu-Sheng; Clardy, Jon","The Crystalline Sponge Method: A Solvent-Based Strategy to Facilitate Noncovalent Ordered Trapping of Solid and Liquid Organic Compounds","CrystEngComm","2017","","","","","10.1039/C7CE00885F","","x-ray","0.41328","synchrotron","","0.082","0.07","","","0.2199","0.2336","","","","","","1.073","","","","has coordinates,has disorder","198736","2020-10-21","18:00:00",""
"7228691","32.664","0.007","11.254","0.002","30.378","0.006","90","","111.76","0.03","90","","10371","4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C90 H136 Dy6 N6 O44 -","- C90 H132 Dy6 N6 O42 -","- C360 H528 Dy24 N24 O168 -","4","0.5","","li, bao; hu, peng; yin, lei; Mao, Nannan; Yu, Fan; Wang, Zhenxing; Zhang, Tianle","A series of six-member lanthanide-rings based on 2,2-bis(hydroxymethyl)-2,2’,2’’-nitrilotriethanol : synthesis, crystal structures and magnetic properties","CrystEngComm","2017","","","","","10.1039/C7CE01063J","","","0.71073","MoKα","","0.061","0.0559","","","0.1662","0.1722","","","","","","1.076","","","","has coordinates","198771","2020-10-21","18:00:00",""
"7228692","26.742","0.004","26.742","0.004","78.391","0.016","90","","90","","120","","48549","14","293","2","293","2","","","","","","","","5","R -3","-R 3","148","","","","- C97 H144 N6 O44 Tb6 -","- C90 H132 N6 O42 Tb6 -","- C1620 H2376 N108 O756 Tb108 -","18","","","li, bao; hu, peng; yin, lei; Mao, Nannan; Yu, Fan; Wang, Zhenxing; Zhang, Tianle","A series of six-member lanthanide-rings based on 2,2-bis(hydroxymethyl)-2,2’,2’’-nitrilotriethanol : synthesis, crystal structures and magnetic properties","CrystEngComm","2017","","","","","10.1039/C7CE01063J","","","0.71073","MoKα","","0.0414","0.0341","","","0.0876","0.0911","","","","","","1.05","","","","has coordinates","198771","2020-10-21","18:00:00",""
"7228693","26.842","0.004","26.842","0.004","78.271","0.016","90","","90","","120","","48838","14","293","2","293","2","","","","","","","","5","R -3","-R 3","148","","","","- C97 H144 Gd6 N6 O44 -","- C90 H132 Gd6 N6 O42 -","- C1620 H2376 Gd108 N108 O756 -","18","","","li, bao; hu, peng; yin, lei; Mao, Nannan; Yu, Fan; Wang, Zhenxing; Zhang, Tianle","A series of six-member lanthanide-rings based on 2,2-bis(hydroxymethyl)-2,2’,2’’-nitrilotriethanol : synthesis, crystal structures and magnetic properties","CrystEngComm","2017","","","","","10.1039/C7CE01063J","","","0.71073","MoKα","","0.0299","0.0283","","","0.0764","0.0775","","","","","","1.013","","","","has coordinates","198771","2020-10-21","18:00:00",""
"7228701","24.1447","0.0005","13.0986","0.0003","16.033","0.0004","90","","97.903","0.002","90","","5022.5","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H17 Co N6 O4.5 -","- C27 H17 Co N6 O4.5 -","- C216 H136 Co8 N48 O36 -","8","1","","Zhang, Jian-Yong; Shi, Jun-Xia; Cui, Peng-Hui; Yao, Zi-Jian; Deng, Wei","Structural Diversity and Catalytic Properties of Five Co2(COO)4 Cluster Based Coordination Polymers Modified by R-isophthalic acid (R=H, NO2, CH3, OH and tBu)","CrystEngComm","2017","","","","","10.1039/C7CE01100H","","","1.54178","CuKα","","0.0714","0.0535","","","0.1378","0.148","","","","","","1.056","","","","has coordinates","198870","2020-10-21","18:00:00",""
"7228702","15.3687","0.0018","12.8671","0.0016","24.517","0.003","90","","98.481","0.002","90","","4795.2","1","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H17 Co N6 O4.5 -","- C26 H17 Co N6 O4.5 -","- C208 H136 Co8 N48 O36 -","8","1","","Zhang, Jian-Yong; Shi, Jun-Xia; Cui, Peng-Hui; Yao, Zi-Jian; Deng, Wei","Structural Diversity and Catalytic Properties of Five Co2(COO)4 Cluster Based Coordination Polymers Modified by R-isophthalic acid (R=H, NO2, CH3, OH and tBu)","CrystEngComm","2017","","","","","10.1039/C7CE01100H","","","0.71073","MoKα","","0.0638","0.0376","","","0.0915","0.1135","","","","","","1.034","","","","has coordinates","198870","2020-10-21","18:00:00",""
"7228703","28.6922","0.0014","13.6439","0.0006","14.4273","0.0007","90","","112.028","0.005","90","","5235.6","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H17 Co N7 O7 -","- C26 H17 Co N7 O7 -","- C208 H136 Co8 N56 O56 -","8","1","","Zhang, Jian-Yong; Shi, Jun-Xia; Cui, Peng-Hui; Yao, Zi-Jian; Deng, Wei","Structural Diversity and Catalytic Properties of Five Co2(COO)4 Cluster Based Coordination Polymers Modified by R-isophthalic acid (R=H, NO2, CH3, OH and tBu)","CrystEngComm","2017","","","","","10.1039/C7CE01100H","","","1.54178","CuKα","","0.0549","0.0409","","","0.1081","0.123","","","","","","1.058","","","","has coordinates","198870","2020-10-21","18:00:00",""
"7228704","24.418","0.003","13.0005","0.0015","15.5741","0.0018","90","","99.982","0.001","90","","4869.1","1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H17 Co N6 O5.5 -","- C26 H15 Co N6 O5.5 -","- C208 H120 Co8 N48 O44 -","8","1","","Zhang, Jian-Yong; Shi, Jun-Xia; Cui, Peng-Hui; Yao, Zi-Jian; Deng, Wei","Structural Diversity and Catalytic Properties of Five Co2(COO)4 Cluster Based Coordination Polymers Modified by R-isophthalic acid (R=H, NO2, CH3, OH and tBu)","CrystEngComm","2017","","","","","10.1039/C7CE01100H","","","0.71073","MoKα","","0.1115","0.0614","","","0.1424","0.1778","","","","","","0.972","","","","has coordinates","198870","2020-10-21","18:00:00",""
"7228705","26.7166","0.0008","26.7166","0.0008","21.7748","0.0013","90","","90","","120","","13460.1","1","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C26 H27 Co N4 O6 -","- C26 H25 Co N4 O6 -","- C468 H450 Co18 N72 O108 -","18","1","","Zhang, Jian-Yong; Shi, Jun-Xia; Cui, Peng-Hui; Yao, Zi-Jian; Deng, Wei","Structural Diversity and Catalytic Properties of Five Co2(COO)4 Cluster Based Coordination Polymers Modified by R-isophthalic acid (R=H, NO2, CH3, OH and tBu)","CrystEngComm","2017","","","","","10.1039/C7CE01100H","","","0.71073","MoKα","","0.076","0.0491","","","0.1457","0.1732","","","","","","1.17","","","","has coordinates","198870","2020-10-21","18:00:00",""
"7228706","8.5875","0.0008","10.3508","0.0008","10.6762","0.0008","67.884","0.007","86.63","0.007","68.351","0.008","813.6","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H38 N6 O8 -","- C30 H38 N6 O8 -","- C30 H38 N6 O8 -","1","0.5","","Macedi, Eleonora; Meli, Alessandra; De Riccardis, Francesco; Rossi, Patrizia; smith, vincent; Barbour, Len; Izzo, Irene; Tedesco, Consiglia","Molecular recognition and solvatomorphism in a cyclic peptoid. Formation of a stable 1D porous framework.","CrystEngComm","2017","","","","","10.1039/C7CE01077J","","","0.71073","MoKα","","0.087","0.0492","","","0.0971","0.1099","","","","","","1.02","","","","has coordinates","198871","2020-10-21","18:00:00",""
"7228707","8.5007","0.0014","10.3965","0.0011","10.9102","0.0017","67.863","0.011","84.552","0.015","71.048","0.013","844.3","0.2","100","2","100.15","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H46 N6 O10 -","- C32 H46 N6 O10 -","- C32 H46 N6 O10 -","1","0.5","","Macedi, Eleonora; Meli, Alessandra; De Riccardis, Francesco; Rossi, Patrizia; smith, vincent; Barbour, Len; Izzo, Irene; Tedesco, Consiglia","Molecular recognition and solvatomorphism in a cyclic peptoid. Formation of a stable 1D porous framework.","CrystEngComm","2017","","","","","10.1039/C7CE01077J","","","0.71073","MoKα","","0.1283","0.07","","","0.1597","0.1966","","","","","","0.993","","","","has coordinates","198871","2020-10-21","18:00:00",""
"7228708","8.814","0.003","9.0944","0.0018","10.982","0.004","78.86","0.02","87.55","0.03","66.35","0.02","790.6","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H38 N6 O8 -","- C30 H38 N6 O8 -","- C30 H38 N6 O8 -","1","0.5","","Macedi, Eleonora; Meli, Alessandra; De Riccardis, Francesco; Rossi, Patrizia; smith, vincent; Barbour, Len; Izzo, Irene; Tedesco, Consiglia","Molecular recognition and solvatomorphism in a cyclic peptoid. Formation of a stable 1D porous framework.","CrystEngComm","2017","","","","","10.1039/C7CE01077J","","","0.71073","MoKα","","0.1766","0.0762","","","0.188","0.2567","","","","","","0.986","","","","has coordinates","198871","2020-10-21","18:00:00",""
"7228709","8.5852","0.0015","10.4929","0.0017","10.556","0.002","68.11","0.009","86.318","0.01","67.035","0.009","808.7","0.3","100","2","100.15","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H40.32 N6 O9.16 -","- C30 H40.32 N6 O9.16 -","- C30 H40.32 N6 O9.16 -","1","0.5","","Macedi, Eleonora; Meli, Alessandra; De Riccardis, Francesco; Rossi, Patrizia; smith, vincent; Barbour, Len; Izzo, Irene; Tedesco, Consiglia","Molecular recognition and solvatomorphism in a cyclic peptoid. Formation of a stable 1D porous framework.","CrystEngComm","2017","","","","","10.1039/C7CE01077J","","","0.71073","MoKα","","0.1183","0.0582","","","0.1328","0.156","","","","","","0.925","","","","has coordinates","198871","2020-10-21","18:00:00",""
"7228710","10.0489","0.0009","10.2562","0.0009","12.5596","0.0011","90","","103.397","0.001","90","","1259.21","0.19","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H16 Co N2 O10 S -","- C4 H16 Co N2 O10 S -","- C16 H64 Co4 N8 O40 S4 -","4","1","","Mu, Rong; Xu, Guan-Cheng; Zhang, Ying-Ying; Zhang, Li; Jia, Dianzeng","Switchable dielectric phase transition originating from disorder-order transformation and distortion in {[(C4H4N2)Co(H2O)4]SO4•2H2O}n","CrystEngComm","2017","","","","","10.1039/C7CE01096F","","","0.71073","MoKα","","0.0246","0.021","","","0.0545","0.0574","","","","","","1.022","","","","has coordinates","198872","2020-10-21","18:00:00",""
"7228711","10.0656","0.0013","10.2656","0.0014","12.628","0.0017","90","","104.151","0.002","90","","1265.2","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C4 H16 Co N2 O10 S -","- C4 H16 Co N2 O10 S -","- C16 H64 Co4 N8 O40 S4 -","4","0.5","","Mu, Rong; Xu, Guan-Cheng; Zhang, Ying-Ying; Zhang, Li; Jia, Dianzeng","Switchable dielectric phase transition originating from disorder-order transformation and distortion in {[(C4H4N2)Co(H2O)4]SO4•2H2O}n","CrystEngComm","2017","","","","","10.1039/C7CE01096F","","","0.71073","MoKα","","0.0386","0.0366","","","0.1061","0.1079","","","","","","1.097","","","","has coordinates,has disorder","198872","2020-10-21","18:00:00",""
"7228714","11.409","0.004","7.015","0.002","17.742","0.006","90","","102.483","0.003","90","","1386.4","0.8","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C7 H6 As Cl4 Ga S2 -","- C7 H6 As Cl4 Ga S2 -","- C28 H24 As4 Cl16 Ga4 S8 -","4","1","","Tran, Thao Thi-Phuong; Ould, Darren; Wilkins, Lewis; Wright, Dominic S.; Melen, Rebecca; Rawson, Jeremy Michael","Supramolecular Aggregation in Dithia-arsoles: Chlorides, Cations and N-centered Paddlewheels","CrystEngComm","2017","","","","","10.1039/C7CE01117B","","","0.71073","MoKα","","0.0248","0.0218","","","0.0531","0.0547","","","","","","1.071","","","","has coordinates","198906","2020-10-21","18:00:00",""
"7228715","9.224","0.0002","9.6289","0.0003","10.8161","0.0003","81.12","0.002","76.281","0.002","84.486","0.002","920.29","0.04","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H6 As Cl S2 -","- C7 H6 As Cl S2 -","- C28 H24 As4 Cl4 S8 -","4","2","","Tran, Thao Thi-Phuong; Ould, Darren; Wilkins, Lewis; Wright, Dominic S.; Melen, Rebecca; Rawson, Jeremy Michael","Supramolecular Aggregation in Dithia-arsoles: Chlorides, Cations and N-centered Paddlewheels","CrystEngComm","2017","","","","","10.1039/C7CE01117B","","","0.71069","MoKα","","0.0412","0.0311","","","0.0765","0.0804","","","","","","1.031","","","","has coordinates","198906","2020-10-21","18:00:00",""
"7228716","6.0319","0.0005","15.6876","0.0014","9.6731","0.0006","90","","90.601","0.008","90","","915.28","0.13","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 As Cl S2 -","- C7 H6 As Cl S2 -","- C28 H24 As4 Cl4 S8 -","4","1","","Tran, Thao Thi-Phuong; Ould, Darren; Wilkins, Lewis; Wright, Dominic S.; Melen, Rebecca; Rawson, Jeremy Michael","Supramolecular Aggregation in Dithia-arsoles: Chlorides, Cations and N-centered Paddlewheels","CrystEngComm","2017","","","","","10.1039/C7CE01117B","","","0.71073","MoKα","","0.0212","0.0191","","","0.0467","0.0484","","","","","","1.261","","","","has coordinates","198906","2020-10-21","18:00:00",""
"7228717","11.221","0.008","11.615","0.008","11.965","0.008","76.144","0.008","67.962","0.007","87.166","0.008","1402","1.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H20 As3 Cl2 N S6 -","- C22 H20 As3 Cl2 N S6 -","- C44 H40 As6 Cl4 N2 S12 -","2","1","","Tran, Thao Thi-Phuong; Ould, Darren; Wilkins, Lewis; Wright, Dominic S.; Melen, Rebecca; Rawson, Jeremy Michael","Supramolecular Aggregation in Dithia-arsoles: Chlorides, Cations and N-centered Paddlewheels","CrystEngComm","2017","","","","","10.1039/C7CE01117B","","","0.71073","MoKα","","0.1091","0.0806","","","0.1452","0.1545","","","","","","1.203","","","","has coordinates,has disorder","198906","2020-10-21","18:00:00",""
"7228718","11.472","0.0007","7.0562","0.0005","17.819","0.002","90","","102.135","0.003","90","","1410.2","0.2","180","2","180","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C7 H6 Al As Cl4 S2 -","- C7 H6 Al As Cl4 S2 -","- C28 H24 Al4 As4 Cl16 S8 -","4","1","","Tran, Thao Thi-Phuong; Ould, Darren; Wilkins, Lewis; Wright, Dominic S.; Melen, Rebecca; Rawson, Jeremy Michael","Supramolecular Aggregation in Dithia-arsoles: Chlorides, Cations and N-centered Paddlewheels","CrystEngComm","2017","","","","","10.1039/C7CE01117B","","","0.71073","MoKα","","0.1095","0.0879","","","0.2281","0.2366","","","","","","1.203","","","","has coordinates","198906","2020-10-21","18:00:00",""
"7228719","12.4186","0.0002","22.4845","0.0004","26.7287","0.0004","76.804","0.001","80.282","0.001","76.72","0.001","7018.4","0.2","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H4 As Cl S2 -","- C6 H4 As Cl S2 -","- C204 H136 As34 Cl34 S68 -","34","17","","Tran, Thao Thi-Phuong; Ould, Darren; Wilkins, Lewis; Wright, Dominic S.; Melen, Rebecca; Rawson, Jeremy Michael","Supramolecular Aggregation in Dithia-arsoles: Chlorides, Cations and N-centered Paddlewheels","CrystEngComm","2017","","","","","10.1039/C7CE01117B","","","0.7107","MoKα","","0.272","0.0778","","","0.1261","0.1884","","","","","","1.01","","","","has coordinates","198906","2020-10-21","18:00:00",""
"7228720","5.0652","0.0013","10.017","0.003","15.742","0.004","97.55","0.016","97.678","0.015","99.715","0.015","770.5","0.4","149.89","","149.89","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H24 Cl N5 -","- C13 H24 Cl N5 -","- C26 H48 Cl2 N10 -","2","1","","Aldilla, Vina Rizki; Bhadbhade, Mohan; Bhattacharyya, Saroj; Kumar, Naresh; Rich, Anne M.; Marjo, Christopher","Controlling the distance between hydrogen-bonded chloro-s-triazine tapes: crystal engineering using N-alkyl chains and the influence of temperature","CrystEngComm","2017","","","","","10.1039/C7CE01049D","","","0.71073","MoKα","","0.1466","0.0645","","","0.1087","0.1416","","","","","","1.035","","","","has coordinates","198907","2020-10-21","18:00:00",""
"7228721","5.1163","0.0011","10.011","0.002","12.451","0.002","93.943","0.009","96.452","0.009","100.613","0.009","620.2","0.2","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C9 H16 Cl N5 -","- C9 H16 Cl N5 -","- C18 H32 Cl2 N10 -","2","1","","Aldilla, Vina Rizki; Bhadbhade, Mohan; Bhattacharyya, Saroj; Kumar, Naresh; Rich, Anne M.; Marjo, Christopher","Controlling the distance between hydrogen-bonded chloro-s-triazine tapes: crystal engineering using N-alkyl chains and the influence of temperature","CrystEngComm","2017","","","","","10.1039/C7CE01049D","","","0.71073","MoKα","","0.1136","0.0754","","","0.2053","0.2418","","","","","","1.038","","","","has coordinates,has disorder","198907","2020-10-21","18:00:00",""
"7228722","5.12","0.013","10.14","0.03","17.37","0.05","91.51","0.05","93.57","0.05","101.03","0.04","883","4","299.08","","299.08","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H24 Cl N5 -","- C13 H24 Cl N5 -","- C26 H48 Cl2 N10 -","2","1","","Aldilla, Vina Rizki; Bhadbhade, Mohan; Bhattacharyya, Saroj; Kumar, Naresh; Rich, Anne M.; Marjo, Christopher","Controlling the distance between hydrogen-bonded chloro-s-triazine tapes: crystal engineering using N-alkyl chains and the influence of temperature","CrystEngComm","2017","","","","","10.1039/C7CE01049D","","","0.71073","MoKα","","0.3897","0.1323","","","0.2354","0.3686","","","","","","0.994","","","","has coordinates","198907","2020-10-21","18:00:00",""
"7228723","10.28","0.004","10.351","0.003","12.987","0.004","98.3","0.02","112.37","0.02","108.27","0.03","1157.5","0.8","147.78","","147.78","","","","","","","","","4","P -1","-P 1","2","","","","- C9 H16 Cl N5 -","- C9 H16 Cl N5 -","- C36 H64 Cl4 N20 -","4","2","","Aldilla, Vina Rizki; Bhadbhade, Mohan; Bhattacharyya, Saroj; Kumar, Naresh; Rich, Anne M.; Marjo, Christopher","Controlling the distance between hydrogen-bonded chloro-s-triazine tapes: crystal engineering using N-alkyl chains and the influence of temperature","CrystEngComm","2017","","","","","10.1039/C7CE01049D","","","0.71073","MoKα","","0.1155","0.0584","","","0.14","0.1759","","","","","","0.964","","","","has coordinates","198907","2020-10-21","18:00:00",""
"7228724","5.0858","0.0006","10.0093","0.001","15.2007","0.0018","104.518","0.005","92.842","0.006","100.832","0.005","731.93","0.14","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C11 H20 Cl N5 -","- C11 H20 Cl N5 -","- C22 H40 Cl2 N10 -","2","1","","Aldilla, Vina Rizki; Bhadbhade, Mohan; Bhattacharyya, Saroj; Kumar, Naresh; Rich, Anne M.; Marjo, Christopher","Controlling the distance between hydrogen-bonded chloro-s-triazine tapes: crystal engineering using N-alkyl chains and the influence of temperature","CrystEngComm","2017","","","","","10.1039/C7CE01049D","","","0.71073","MoKα","","0.1401","0.0678","","","0.2093","0.2561","","","","","","1.07","","","","has coordinates,has disorder","198907","2020-10-21","18:00:00",""
"7228725","5.0839","0.0011","10.0172","0.0019","15.237","0.003","104.473","0.014","92.935","0.015","100.729","0.013","734.3","0.3","149.99","","149.99","","","","","","","","","4","P -1","-P 1","2","","","","- C11 H18 Cl N5 -","- C11 H18 Cl N5 -","- C22 H36 Cl2 N10 -","2","1","","Aldilla, Vina Rizki; Bhadbhade, Mohan; Bhattacharyya, Saroj; Kumar, Naresh; Rich, Anne M.; Marjo, Christopher","Controlling the distance between hydrogen-bonded chloro-s-triazine tapes: crystal engineering using N-alkyl chains and the influence of temperature","CrystEngComm","2017","","","","","10.1039/C7CE01049D","","","0.71073","MoKα","","0.1704","0.1013","","","0.2822","0.3429","","","","","","1.058","","","","has coordinates,has disorder","198907","2020-10-21","18:00:00",""
"7228726","25.548","0.005","5","0.001","19.343","0.004","90","","115.3","0.03","90","","2233.9","1","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H12 Cl2 N4 -","- C8 H12 Cl2 N4 -","- C64 H96 Cl16 N32 -","8","1","","Aldilla, Vina Rizki; Bhadbhade, Mohan; Bhattacharyya, Saroj; Kumar, Naresh; Rich, Anne M.; Marjo, Christopher","Controlling the distance between hydrogen-bonded chloro-s-triazine tapes: crystal engineering using N-alkyl chains and the influence of temperature","CrystEngComm","2017","","","","","10.1039/C7CE01049D","","","0.71073","MoKα","","0.0417","0.038","","","0.0937","0.0963","","","","","","1.117","","","","has coordinates","198907","2020-10-21","18:00:00",""
"7228727","5.012","0.001","11.794","0.002","17.086","0.003","86.52","0.03","84.11","0.03","82.67","0.03","995.3","0.3","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C7 H10 Cl2 N4 -","- C7 H10 Cl2 N4 -","- C28 H40 Cl8 N16 -","4","2","","Aldilla, Vina Rizki; Bhadbhade, Mohan; Bhattacharyya, Saroj; Kumar, Naresh; Rich, Anne M.; Marjo, Christopher","Controlling the distance between hydrogen-bonded chloro-s-triazine tapes: crystal engineering using N-alkyl chains and the influence of temperature","CrystEngComm","2017","","","","","10.1039/C7CE01049D","","","0.71073","MoKα","","0.0314","0.0295","","","0.0755","0.0768","","","","","","1.08","","","","has coordinates","198907","2020-10-21","18:00:00",""
"7228729","8.402","0.004","16.569","0.007","5.108","0.011","90","","90","","90","","711.1","1.6","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Al4 Co2.323 H24 O40 P8 -","- Al4 Co2.324 H24 O40 P8 -","- Al4 Co2.324 H24 O40 P8 -","1","0.25","","Zaarour, Moussa; perez, olivier; Boullay, Philippe; Martens, Joern; Mihailova, Boriana D.; Karaghiosoff, Konstantin; Palatinus, Lukáš; Mintova, Svetlana","Synthesis of New Framework Cobalt Aluminophosphate by Opening Cobalt Methylphosphonate Layered Material","CrystEngComm","2017","","","","","10.1039/C7CE01129F","","x-ray","0.71073","MoKα","","0.0869","0.058","","","0.0651","0.0681","","","","1.79","1.79","1.54","","","","has coordinates","199011","2020-10-21","18:00:00",""
"7228730","11.655","0.001","11.401","0.003","20.988","0.0019","90","","104.186","0.002","90","","2703.8","0.8","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 O5 -","- C15 H16 O5 -","- C120 H128 O40 -","8","2","","De Rosa, Margherita; La Manna, Pellegrino; Soriente, Annunziata; Gaeta, Carmine; Talotta, Carmen; Hickey, Neal; Geremia, Silvano; Neri, Placido","Supramolecular Synthons in the Gamma-Hydroxybutenolides","CrystEngComm","2017","","","","","10.1039/C7CE00953D","","x-ray","0.7","synchrotron","","0.0391","0.0384","","","0.1007","0.1015","","","","","","1.036","","","","has coordinates","199012","2020-10-21","18:00:00",""
"7228731","10.278","0.0003","10.413","0.0016","12.405","0.0011","90","","90","","90","","1327.6","0.2","100","2","100","2","","","","","","","","4","P n 21 a","P -2ac -2n","33","","","","- C15 H13 N O5 -","- C15 H13 N O5 -","- C60 H52 N4 O20 -","4","1","","De Rosa, Margherita; La Manna, Pellegrino; Soriente, Annunziata; Gaeta, Carmine; Talotta, Carmen; Hickey, Neal; Geremia, Silvano; Neri, Placido","Supramolecular Synthons in the Gamma-Hydroxybutenolides","CrystEngComm","2017","","","","","10.1039/C7CE00953D","","x-ray","0.7","synchrotron","","0.0278","0.0277","","","0.0764","0.0764","","","","","","1.056","","","","has coordinates","199012","2020-10-21","18:00:00",""
"7228732","11.426","0.0008","8.008","0.0007","13.885","0.0013","90","","103.063","0.006","90","","1237.59","0.18","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 O5 S -","- C12 H12 O5 S -","- C48 H48 O20 S4 -","4","1","","De Rosa, Margherita; La Manna, Pellegrino; Soriente, Annunziata; Gaeta, Carmine; Talotta, Carmen; Hickey, Neal; Geremia, Silvano; Neri, Placido","Supramolecular Synthons in the Gamma-Hydroxybutenolides","CrystEngComm","2017","","","","","10.1039/C7CE00953D","","x-ray","0.7","synchrotron","","0.0464","0.0463","","","0.12","0.1201","","","","","","1.159","","","","has coordinates","199012","2020-10-21","18:00:00",""
"7228733","11.877","0.0012","7.988","0.0013","13.74","0.0011","90","","102.046","0.003","90","","1274.9","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 O5 -","- C14 H14 O5 -","- C56 H56 O20 -","4","1","","De Rosa, Margherita; La Manna, Pellegrino; Soriente, Annunziata; Gaeta, Carmine; Talotta, Carmen; Hickey, Neal; Geremia, Silvano; Neri, Placido","Supramolecular Synthons in the Gamma-Hydroxybutenolides","CrystEngComm","2017","","","","","10.1039/C7CE00953D","","x-ray","0.7","synchrotron","","0.0432","0.0425","","","0.108","0.1088","","","","","","1.113","","","","has coordinates","199012","2020-10-21","18:00:00",""
"7228734","11.651","0.0005","11.487","0.0019","20.733","0.002","90","","104.181","0.004","90","","2690.2","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 Cl O5 -","- C14 H13 Cl O5 -","- C112 H104 Cl8 O40 -","8","2","","De Rosa, Margherita; La Manna, Pellegrino; Soriente, Annunziata; Gaeta, Carmine; Talotta, Carmen; Hickey, Neal; Geremia, Silvano; Neri, Placido","Supramolecular Synthons in the Gamma-Hydroxybutenolides","CrystEngComm","2017","","","","","10.1039/C7CE00953D","","x-ray","0.7","Synchrotron","","0.0359","0.0346","","","0.091","0.0921","","","","","","1.052","","","","has coordinates","199012","2020-10-21","18:00:00",""
"7228735","33.4954","0.0018","19.3412","0.0011","35.425","0.002","90","","115.147","0.0016","90","","20775","2","120","2","120","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C77 H190.2 Cu5 Ge0 In30 N11 O7.1 S53 -","- Cu4.9996 In30.0004 S53 -","- Cu19.9984 In120.002 S212 -","4","1","","Wang, Hongxiang; Yang, Huajun; Wang, Wei; Xue, Chaozhuang; Zhang, Yingying; Luo, Min; Hu, Dandan; Lin, Jian; Li, Dong-Sheng; Wu, Tao","Assembly of Supertetrahedral Cluster into Cu-In-S Superlattice via Unprecedented Vertex-Edge Connection Mode","CrystEngComm","2017","","","","","10.1039/C7CE00849J","","","0.71073","MoKα","","0.1288","0.0618","","","0.1183","0.129","","","","","","1.038","","","","has coordinates,has disorder","199013","2020-10-21","18:00:00",""
"7228736","17.2928","0.0009","23.1876","0.001","7.7431","0.0004","90","","90","","90","","3104.8","0.3","100","0.1","100","0.1","","","","","","","","4","P n m a","-P 2ac 2n","62","","135TIPB-FA","","- C38 H20 F3 I3 -","- C38 H20 F3 I3 -","- C152 H80 F12 I12 -","4","0.5","","Li, Li Li; Wang, Hui; Wang, Weizhou; Jin, Wei Jun","Interactions between haloperfluorobenzenes and fluoranthene in luminescent cocrystals from π‒hole···π to σ‒hole···π bonds","CrystEngComm","2017","","","","","10.1039/C7CE00950J","","x-ray","0.71073","MoKα","","0.0568","0.043","","","0.0852","0.0929","","","","","","1.037","","","","has coordinates,has disorder","199014","2020-10-21","18:00:00",""
"7228737","17.8455","0.0008","6.2494","0.0003","19.5446","0.001","90","","108.407","0.005","90","","2068.17","0.18","100.01","0.1","100.01","0.1","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","FA","","- C16 H10 -","- C16 H10 -","- C128 H80 -","8","2","","Li, Li Li; Wang, Hui; Wang, Weizhou; Jin, Wei Jun","Interactions between haloperfluorobenzenes and fluoranthene in luminescent cocrystals from π‒hole···π to σ‒hole···π bonds","CrystEngComm","2017","","","","","10.1039/C7CE00950J","","x-ray","0.71073","MoKα","","0.0625","0.0491","","","0.1101","0.1185","","","","","","1.026","","","","has coordinates","199014","2020-10-21","18:00:00",""
"7228738","9.586","0.0006","15.0356","0.0007","12.5798","0.0006","90","","105.274","0.005","90","","1749.1","0.17","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1IPB-FA","","- C22 H10 F5 I -","- C22 H10 F5 I -","- C88 H40 F20 I4 -","4","1","","Li, Li Li; Wang, Hui; Wang, Weizhou; Jin, Wei Jun","Interactions between haloperfluorobenzenes and fluoranthene in luminescent cocrystals from π‒hole···π to σ‒hole···π bonds","CrystEngComm","2017","","","","","10.1039/C7CE00950J","","x-ray","0.71073","MoKα","","0.0589","0.0394","","","0.0718","0.0813","","","","","","1.039","","","","has coordinates","199014","2020-10-21","18:00:00",""
"7228739","8.3808","0.0006","18.0644","0.001","12.8815","0.001","90","","105.561","0.009","90","","1878.7","0.2","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","14DIPB-FA","","- C22 H10 F4 I2 -","- C22 H10 F4 I2 -","- C88 H40 F16 I8 -","4","1","","Li, Li Li; Wang, Hui; Wang, Weizhou; Jin, Wei Jun","Interactions between haloperfluorobenzenes and fluoranthene in luminescent cocrystals from π‒hole···π to σ‒hole···π bonds","CrystEngComm","2017","","","","","10.1039/C7CE00950J","","x-ray","0.71073","MoKα","","0.0406","0.0316","","","0.057","0.0617","","","","","","1.028","","","","has coordinates","199014","2020-10-21","18:00:00",""
"7228740","7.4059","0.0008","8.0966","0.0009","29.6317","0.0013","88.51","0.006","88.482","0.006","88.186","0.009","1774.7","0.3","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C22 H10 Br2 F4 -","- C22 H10 Br2 F4 -","- C88 H40 Br8 F16 -","4","2","","Li, Li Li; Wang, Hui; Wang, Weizhou; Jin, Wei Jun","Interactions between haloperfluorobenzenes and fluoranthene in luminescent cocrystals from π‒hole···π to σ‒hole···π bonds","CrystEngComm","2017","","","","","10.1039/C7CE00950J","","x-ray","0.71073","MoKα","","0.1376","0.1096","","","0.3018","0.3162","","","","","","1.099","","","","has coordinates","202518","2020-10-21","18:00:00",""
"7228741","15.2963","0.0003","18.1009","0.0004","30.48","0.0005","99.2518","0.0016","90.4052","0.0015","114.42","0.002","7558.8","0.3","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C22 H10 F4 I2 -","- C22 H10 F4 I2 -","- C352 H160 F64 I32 -","16","8","","Li, Li Li; Wang, Hui; Wang, Weizhou; Jin, Wei Jun","Interactions between haloperfluorobenzenes and fluoranthene in luminescent cocrystals from π‒hole···π to σ‒hole···π bonds","CrystEngComm","2017","","","","","10.1039/C7CE00950J","","x-ray","0.71073","MoKα","","0.064","0.0449","","","0.0733","0.082","","","","","","1.113","","","","has coordinates","199014","2020-10-21","18:00:00",""
"7228742","7.2059","0.0005","8.3166","0.0005","14.8296","0.0012","90.772","0.006","92.296","0.006","91.587","0.005","887.57","0.11","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","14DBrPB-FA","","- C22 H10 Br2 F4 -","- C22 H10 Br2 F4 -","- C44 H20 Br4 F8 -","2","1","","Li, Li Li; Wang, Hui; Wang, Weizhou; Jin, Wei Jun","Interactions between haloperfluorobenzenes and fluoranthene in luminescent cocrystals from π‒hole···π to σ‒hole···π bonds","CrystEngComm","2017","","","","","10.1039/C7CE00950J","","x-ray","0.71073","MoKα","","0.0786","0.0489","","","0.0829","0.098","","","","","","0.985","","","","has coordinates","199014","2020-10-21","18:00:00",""
"7228743","6.8502","0.0007","8.065","0.0007","17.0969","0.0016","97.18","0.008","100.583","0.008","100.33","0.008","901.17","0.15","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","13DBrPB","","- C22 H10 Br2 F4 -","- C22 H10 Br2 F4 -","- C44 H20 Br4 F8 -","2","1","","Li, Li Li; Wang, Hui; Wang, Weizhou; Jin, Wei Jun","Interactions between haloperfluorobenzenes and fluoranthene in luminescent cocrystals from π‒hole···π to σ‒hole···π bonds","CrystEngComm","2017","","","","","10.1039/C7CE00950J","","x-ray","0.71073","MoKα","","0.0808","0.0542","","","0.1092","0.1237","","","","","","1.065","","","","has coordinates","199014","2020-10-21","18:00:00",""
"7228744","7.5813","0.0006","7.9328","0.0005","28.45","0.003","90","","90","","90","","1711","0.3","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1BrPB-FA","","- C22 H10 Br F5 -","- C22 H10 Br F5 -","- C88 H40 Br4 F20 -","4","1","","Li, Li Li; Wang, Hui; Wang, Weizhou; Jin, Wei Jun","Interactions between haloperfluorobenzenes and fluoranthene in luminescent cocrystals from π‒hole···π to σ‒hole···π bonds","CrystEngComm","2017","","","","","10.1039/C7CE00950J","","x-ray","0.71073","MoKα","","0.0656","0.0499","","","0.0979","0.1063","","","","","","1.027","","","","has coordinates","199014","2020-10-21","18:00:00",""
"7228745","7.5282","0.0002","7.8131","0.0002","28.2918","0.0009","90","","90","","90","","1664.08","0.08","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1ClPB-FA","","- C22 H10 Cl F5 -","- C22 H10 Cl F5 -","- C88 H40 Cl4 F20 -","4","1","","Li, Li Li; Wang, Hui; Wang, Weizhou; Jin, Wei Jun","Interactions between haloperfluorobenzenes and fluoranthene in luminescent cocrystals from π‒hole···π to σ‒hole···π bonds","CrystEngComm","2017","","","","","10.1039/C7CE00950J","","x-ray","0.71073","MoKα","","0.026","0.0255","","","0.0639","0.0643","","","","","","1.11","","","","has coordinates","199014","2020-10-21","18:00:00",""
"7228746","7.6999","0.0003","8.7601","0.0003","15.1662","0.0005","102.148","0.007","95.754","0.007","110.011","0.008","923.03","0.09","93","2","93","2","","","","","","","","5","P -1","-P 1","2","Epalerstat. DMF solvate","2-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]","","- C18 H20 N2 O4 S2 -","- C18 H20 N2 O4 S2 -","- C36 H40 N4 O8 S4 -","2","1","","Putra, Okky Dwichandra; Umeda, Daiki; Nugraha, Yuda Prasetya; Furuishi, Takayuki; Fukuzawa, Kaori; Nagase, Hiromasa; Uekusa, Hidehiro; Yonemochi, Etsuo","Solubility improvement of epalrestat by layered structure formation via cocrystallization","CrystEngComm","2017","","","","","10.1039/C7CE00284J","","","1.54187","CuKα","","0.0386","0.0357","","","0.0945","0.097","","","","","","1.09","","","","has coordinates","199015","2020-10-21","18:00:00",""
"7228747","7.79","0.0004","8.4073","0.0004","19.8594","0.001","84.159","0.003","88.907","0.002","62.877","0.003","1151.06","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","2-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]","","- C23 H23 N5 O5 S2 -","- C23 H23 N5 O5 S2 -","- C46 H46 N10 O10 S4 -","2","1","","Putra, Okky Dwichandra; Umeda, Daiki; Nugraha, Yuda Prasetya; Furuishi, Takayuki; Fukuzawa, Kaori; Nagase, Hiromasa; Uekusa, Hidehiro; Yonemochi, Etsuo","Solubility improvement of epalrestat by layered structure formation via cocrystallization","CrystEngComm","2017","","","","","10.1039/C7CE00284J","","","1.54186","CuKα","","0.08","0.07","","","0.2072","0.223","","","","","","1.193","","","","has coordinates,has disorder","199015","2020-10-21","18:00:00",""
"7228748","8.0773","0.0002","9.3224","0.0002","16.0729","0.0003","99.322","0.007","91.404","0.006","108.099","0.008","1131.59","0.07","93","2","93","2","","","","","","","","5","P -1","-P 1","2","epalerstat. 2 DMSO","2-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]a","","- C19 H25 N O5 S4 -","- C19 H25 N O5 S4 -","- C38 H50 N2 O10 S8 -","2","1","","Putra, Okky Dwichandra; Umeda, Daiki; Nugraha, Yuda Prasetya; Furuishi, Takayuki; Fukuzawa, Kaori; Nagase, Hiromasa; Uekusa, Hidehiro; Yonemochi, Etsuo","Solubility improvement of epalrestat by layered structure formation via cocrystallization","CrystEngComm","2017","","","","","10.1039/C7CE00284J","","","1.54187","CuKα","","0.0656","0.0516","","","0.1289","0.1359","","","","","","1.16","","","","has coordinates","199015","2020-10-21","18:00:00",""
"7228763","22.7859","0.0018","7.8177","0.0005","11.411","0.0008","90","","94.96","0.007","90","","2025.1","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-Ferrocenylethynyl-[2, 2]paracyclophane","","- C28 H24 Fe -","- C28 H24 Fe -","- C112 H96 Fe4 -","4","1","","Torubaev, Yury; Lyssenko, Konstantin A.; Barzilovich, Petro Yu.; Mobin, Shaikh M.; Singh, Ajeet; Saratov, George A.; Mathur, Pradeep","Self-assembly of conducting cocrystals via iodine—-π(Cp) interactions","CrystEngComm","2017","","","","","10.1039/C7CE00857K","","","0.71073","MoKα","","0.1446","0.0837","","","0.1698","0.2073","","","","","","0.994","","","","has coordinates,has disorder","199356","2020-10-21","18:00:00",""
"7228764","9.7975","0.0013","14.719","0.002","15.736","0.002","113.443","0.002","98.806","0.002","92.046","0.002","2045.7","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1,1'-diiacetylferocene 1,2-diiodoethene","","- C17.5 H14 Fe I3.5 O2 -","- C17.5 H14 Fe I3.5 O2 -","- C70 H56 Fe4 I14 O8 -","4","2","","Torubaev, Yury; Lyssenko, Konstantin A.; Barzilovich, Petro Yu.; Mobin, Shaikh M.; Singh, Ajeet; Saratov, George A.; Mathur, Pradeep","Self-assembly of conducting cocrystals via iodine—-π(Cp) interactions","CrystEngComm","2017","","","","","10.1039/C7CE00857K","","","0.71073","MoKα","","0.0471","0.0416","","","0.1261","0.132","","","","","","1.039","","","","has coordinates","199356","2020-10-21","18:00:00",""
"7228765","9.911","0.002","12.556","0.003","14.111","0.003","112.72","0.03","92.88","0.03","104.63","0.03","1545.6","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","4-Ferrocenylethynyl-[2, 2]paracyclophane 1,4-bis(iodoethynyl)benzene","","- C38 H28 Fe I2 -","- C38 H28 Fe I2 -","- C76 H56 Fe2 I4 -","2","1","","Torubaev, Yury; Lyssenko, Konstantin A.; Barzilovich, Petro Yu.; Mobin, Shaikh M.; Singh, Ajeet; Saratov, George A.; Mathur, Pradeep","Self-assembly of conducting cocrystals via iodine—-π(Cp) interactions","CrystEngComm","2017","","","","","10.1039/C7CE00857K","","","0.71073","MoKα","","0.1363","0.0717","","","0.1712","0.2064","","","","","","1.082","","","","has coordinates,has disorder","199356","2020-10-21","18:00:00",""
"7228766","12.501","0.005","8.851","0.004","9.68","0.004","90","","118.987","0.005","90","","936.9","0.7","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","ferrocene 1,4-bis(iodoethynyl)benzene","","- C20 H14 Fe I2 -","- C20 H14 Fe I2 -","- C40 H28 Fe2 I4 -","2","0.25","","Torubaev, Yury; Lyssenko, Konstantin A.; Barzilovich, Petro Yu.; Mobin, Shaikh M.; Singh, Ajeet; Saratov, George A.; Mathur, Pradeep","Self-assembly of conducting cocrystals via iodine—-π(Cp) interactions","CrystEngComm","2017","","","","","10.1039/C7CE00857K","","","0.71073","MoKα","","0.0443","0.036","","","0.0875","0.0931","","","","","","1.057","","","","has coordinates,has disorder","199356","2020-10-21","18:00:00",""
"7228767","9.5077","0.0019","8.6571","0.0017","10.041","0.002","90","","111.63","0.03","90","","768.3","0.3","110","2","110","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","ferrocene iodophenylacetylene","","- C18 H15 Fe I -","- C18 H15 Fe I -","- C36 H30 Fe2 I2 -","2","0.5","","Torubaev, Yury; Lyssenko, Konstantin A.; Barzilovich, Petro Yu.; Mobin, Shaikh M.; Singh, Ajeet; Saratov, George A.; Mathur, Pradeep","Self-assembly of conducting cocrystals via iodine—-π(Cp) interactions","CrystEngComm","2017","","","","","10.1039/C7CE00857K","","","0.71073","MoKα","","0.0185","0.0177","","","0.049","0.0501","","","","","","1.103","","","","has coordinates","199356","2020-10-21","18:00:00",""
"7228768","20.4752","0.0009","7.4221","0.0003","18.223","0.0008","90","","111.102","0.0007","90","","2583.62","0.19","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Fe I2 -","- C12 H10 Fe I2 -","- C96 H80 Fe8 I16 -","8","1","","Torubaev, Yury; Lyssenko, Konstantin A.; Barzilovich, Petro Yu.; Mobin, Shaikh M.; Singh, Ajeet; Saratov, George A.; Mathur, Pradeep","Self-assembly of conducting cocrystals via iodine—-π(Cp) interactions","CrystEngComm","2017","","","","","10.1039/C7CE00857K","","","0.71073","MoKα","","0.0204","0.0192","","","0.046","0.0468","","","","","","1.07","","","","has coordinates","199356","2020-10-21","18:00:00",""
"7228769","4.8736","0.0005","8.5549","0.001","12.5992","0.0016","90","","91.428","0.004","90","","525.14","0.11","296","2","296","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C12 H8 N4 O2 -","- C12 H8 N4 O2 -","- C24 H16 N8 O4 -","2","1","","A, Irudaya Jothi; Alexander, V.","Organic NLO Material with H-Bonded 1D Helical Self-Assembly: Synthesis, X-Ray Crystal Structure, DFT Calculations, SHG Measurements and Thermal Studies of (5Z,6E)-1,10-Phenanthroline-5,6-dione Dioxime","CrystEngComm","2017","","","","","10.1039/C7CE00743D","","","0.71073","MoKα","","0.0597","0.039","","","0.0911","0.102","","","","","","1.032","","","","has coordinates","199357","2020-10-21","18:00:00",""
"7228770","7.029","0.001","10.5537","0.0015","10.8826","0.0015","73.431","0.005","76.424","0.005","71.357","0.005","723.95","0.18","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","EK-B-Mal (3-pyridyl)-CONH-N=CH-(4-pyridyl), HOOC-(CH2)-COOH","","- C15 H14 N4 O5 -","- C15 H14 N4 O5 -","- C30 H28 N8 O10 -","2","1","","Krueger, Erika L.; Sinha, Abhijeet S.; Desper, John; Aakeröy, Christer B.","Exploring binding preferences in co-crystals of conformationally flexible multitopic ligands","CrystEngComm","2017","","","","","10.1039/C7CE01177F","","","0.71073","MoKα","","0.0638","0.0448","","","0.1154","0.1305","","","","","","1.066","","","","has coordinates,has disorder","199358","2020-10-21","18:00:00",""
"7228771","5.966","0.0005","7.2613","0.0006","16.896","0.0014","89.858","0.002","80.013","0.003","79.638","0.002","708.79","0.1","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","EK-A-Adp [2-pyridyl-CONH-N=CH-(3-pyridyl)]2, HOOC-(CH2)4-COOH","","- C30 H30 N8 O6 -","- C30 H30 N8 O6 -","- C30 H30 N8 O6 -","1","0.5","","Krueger, Erika L.; Sinha, Abhijeet S.; Desper, John; Aakeröy, Christer B.","Exploring binding preferences in co-crystals of conformationally flexible multitopic ligands","CrystEngComm","2017","","","","","10.1039/C7CE01177F","","","0.71073","MoKα","","0.0476","0.0435","","","0.116","0.1198","","","","","","0.953","","","","has coordinates","199358","2020-10-21","18:00:00",""
"7228772","5.5981","0.0007","45.389","0.005","7.3036","0.0008","90","","98.469","0.005","90","","1835.6","0.4","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","EK-A-Pim (2-pyridyl)-CONH-N=CH-(3-pyridyl), HOOC-(CH2)5-COOH","","- C19 H22 N4 O5 -","- C19 H22 N4 O5 -","- C76 H88 N16 O20 -","4","1","","Krueger, Erika L.; Sinha, Abhijeet S.; Desper, John; Aakeröy, Christer B.","Exploring binding preferences in co-crystals of conformationally flexible multitopic ligands","CrystEngComm","2017","","","","","10.1039/C7CE01177F","","","0.71073","MoKα","","0.0774","0.0557","","","0.1418","0.1558","","","","","","1.048","","","","has coordinates","199358","2020-10-21","18:00:00",""
"7228773","10.9929","0.001","11.4742","0.001","16.1087","0.0014","102.095","0.003","108.567","0.004","95.615","0.003","1853.4","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","EK-B-Glu (3-pyridyl)-CONH-N=CH-(4-pyridyl), HOOC-(CH2)3-COOH dihydrate","","- C17 H22 N4 O7 -","- C17 H22 N4 O7 -","- C68 H88 N16 O28 -","4","2","","Krueger, Erika L.; Sinha, Abhijeet S.; Desper, John; Aakeröy, Christer B.","Exploring binding preferences in co-crystals of conformationally flexible multitopic ligands","CrystEngComm","2017","","","","","10.1039/C7CE01177F","","","0.71073","MoKα","","0.0966","0.058","","","0.1562","0.1839","","","","","","1.054","","","","has coordinates","199358","2020-10-21","18:00:00",""
"7228774","6.6774","0.0011","8.2196","0.0014","15.972","0.003","81.888","0.007","83.771","0.008","74.805","0.007","835.2","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","EK-D-Sub [(4-pyridyl)-CONH-N=CH-(2-pyridyl)]2, HOOC-(CH2)6-COOH dihydrate","","- C32 H38 N8 O8 -","- C32 H38 N8 O8 -","- C32 H38 N8 O8 -","1","0.5","","Krueger, Erika L.; Sinha, Abhijeet S.; Desper, John; Aakeröy, Christer B.","Exploring binding preferences in co-crystals of conformationally flexible multitopic ligands","CrystEngComm","2017","","","","","10.1039/C7CE01177F","","","1.54178","CuKα","","0.0423","0.039","","","0.1033","0.1069","","","","","","1.047","","","","has coordinates","199358","2020-10-21","18:00:00",""
"7228775","7.116","0.0008","13.084","0.0016","36.062","0.005","90","","90","","90","","3357.6","0.7","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","EK-B-Suc 3-pyridyl-CONH-N=CH-(3-pyridyl), HOOC-(CH2)2-COOH","","- C16 H18 N4 O6 -","- C16 H18 N4 O6 -","- C128 H144 N32 O48 -","8","1","","Krueger, Erika L.; Sinha, Abhijeet S.; Desper, John; Aakeröy, Christer B.","Exploring binding preferences in co-crystals of conformationally flexible multitopic ligands","CrystEngComm","2017","","","","","10.1039/C7CE01177F","","","1.54178","CuKα","","0.0732","0.0552","","","0.138","0.156","","","","","","1.125","","","","has coordinates","199358","2020-10-21","18:00:00",""
"7228776","6.5986","0.0006","8.0173","0.0008","15.3396","0.0014","97.862","0.004","101.861","0.003","104.541","0.003","753.39","0.12","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","EK-D-Adp [(4-pyridyl)-CONH-N=CH-(2-pyridyl)]2, HOOC-(CH2)4-COOH dihydrate","","- C30 H34 N8 O8 -","- C30 H34 N8 O8 -","- C30 H34 N8 O8 -","1","0.5","","Krueger, Erika L.; Sinha, Abhijeet S.; Desper, John; Aakeröy, Christer B.","Exploring binding preferences in co-crystals of conformationally flexible multitopic ligands","CrystEngComm","2017","","","","","10.1039/C7CE01177F","","","0.71073","MoKα","","0.0528","0.0426","","","0.123","0.1329","","","","","","1.058","","","","has coordinates","199358","2020-10-21","18:00:00",""
"7228777","8.5041","0.0012","9.6723","0.0014","14.013","0.002","80.742","0.006","81.368","0.006","68.77","0.005","1055.1","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","EK-A-Azl (2-pyridyl)-CONH-N=CH-(3-pyridyl), HOOC-(CH2)7-COOH","","- C21 H26 N4 O5 -","- C21 H26 N4 O5 -","- C42 H52 N8 O10 -","2","1","","Krueger, Erika L.; Sinha, Abhijeet S.; Desper, John; Aakeröy, Christer B.","Exploring binding preferences in co-crystals of conformationally flexible multitopic ligands","CrystEngComm","2017","","","","","10.1039/C7CE01177F","","","1.54178","CuKα","","0.0413","0.0378","","","0.099","0.1052","","","","","","1.109","","","","has coordinates","199358","2020-10-21","18:00:00",""
"7228778","6.9504","0.001","14.17","0.002","23.788","0.003","79.555","0.009","84.61","0.008","89.821","0.009","2293.6","0.6","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","EK-C-Seb (3-pyridyl)-CONH-N=CH-(3-pyridyl), HOOCH-(CH2)8-COOH hydrate","","- C22 H30 N4 O6 -","- C22 H30 N4 O6 -","- C88 H120 N16 O24 -","4","2","","Krueger, Erika L.; Sinha, Abhijeet S.; Desper, John; Aakeröy, Christer B.","Exploring binding preferences in co-crystals of conformationally flexible multitopic ligands","CrystEngComm","2017","","","","","10.1039/C7CE01177F","","","1.54178","CuKα","","0.1049","0.0764","","","0.2234","0.2466","","","","","","1.447","","","","has coordinates,has disorder","199358","2020-10-21","18:00:00",""
"7228779","6.93","0.0008","7.8773","0.001","24.68","0.003","85.562","0.006","83.394","0.006","66.198","0.005","1223.8","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","EK-C-Dod (3-pyridyl)-CONH-N=CH-(3-pyridyl), HOOC-(CH2)10-COOH hydrate","","- C24 H34 N4 O6 -","- C24 H34 N4 O6 -","- C48 H68 N8 O12 -","2","1","","Krueger, Erika L.; Sinha, Abhijeet S.; Desper, John; Aakeröy, Christer B.","Exploring binding preferences in co-crystals of conformationally flexible multitopic ligands","CrystEngComm","2017","","","","","10.1039/C7CE01177F","","","1.54178","CuKα","","0.0524","0.0452","","","0.1154","0.1187","","","","","","1.064","","","","has coordinates","199358","2020-10-21","18:00:00",""
"7228780","20.694","0.003","5.5714","0.0008","14.954","0.002","90","","105.047","0.007","90","","1665","0.4","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","EK-A-Glu (2-pyridyl)-CONH-NHCO-(3-pyridyl), HOOC-(CH2)3-COOH","","- C17 H18 N4 O5 -","- C17 H18 N4 O5 -","- C68 H72 N16 O20 -","4","1","","Krueger, Erika L.; Sinha, Abhijeet S.; Desper, John; Aakeröy, Christer B.","Exploring binding preferences in co-crystals of conformationally flexible multitopic ligands","CrystEngComm","2017","","","","","10.1039/C7CE01177F","","","0.71073","MoKα","","0.1066","0.0703","","","0.1795","0.214","","","","","","1.216","","","","has coordinates","199358","2020-10-21","18:00:00",""
"7228781","36.802","0.008","7.2815","0.0014","12.533","0.003","90","","92.978","0.008","90","","3354","1.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","EK-D-Azl [(4-pyridyl)-CONH-N=CH-(2-pyridyl)]2, HOOC-(CH2)7-COOH dihydrate","","- C33 H40 N8 O8 -","- C33 H40 N8 O8 -","- C132 H160 N32 O32 -","4","1","","Krueger, Erika L.; Sinha, Abhijeet S.; Desper, John; Aakeröy, Christer B.","Exploring binding preferences in co-crystals of conformationally flexible multitopic ligands","CrystEngComm","2017","","","","","10.1039/C7CE01177F","","","0.71073","MoKα","","0.1244","0.0995","","","0.3006","0.3093","","","","","","2.015","","","","has coordinates,has disorder","199358","2020-10-21","18:00:00",""
"7228782","8.0953","0.0012","9.9439","0.0014","10.1459","0.0015","99.924","0.006","106.674","0.006","100.865","0.006","745.78","0.19","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","EK-A-Mal (2-pyridyl)-CONH-N=CH-(3-pyridyl), HOOC-(CH2)1-COOH","","- C15 H14 N4 O5 -","- C15 H14 N4 O5 -","- C30 H28 N8 O10 -","2","1","","Krueger, Erika L.; Sinha, Abhijeet S.; Desper, John; Aakeröy, Christer B.","Exploring binding preferences in co-crystals of conformationally flexible multitopic ligands","CrystEngComm","2017","","","","","10.1039/C7CE01177F","","","1.54178","CuKα","","0.0465","0.0379","","","0.1078","0.1137","","","","","","1.04","","","","has coordinates","199358","2020-10-21","18:00:00",""
"7228792","8.5142","0.0015","11.569","0.002","14.932","0.003","99.351","0.001","96.856","0.002","90.793","0.003","1440.1","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H22 Cl6 Cu2 N8 O2 -","- C24 H22 Cl6 Cu2 N8 O2 -","- C48 H44 Cl12 Cu4 N16 O4 -","2","1","","Avasthi, Ilesha; Khanna, Shruti; Tripathi, Santosh K.; Verma, Sandeep","N9 substituent mediated structural tuning of copper‒purine complexes: chelate effect and thin film studies","CrystEngComm","2017","","","","","10.1039/C7CE01017F","","","0.71073","MoKα","","0.0553","0.0488","","","0.1344","0.1521","","","","","","1.092","","","","has coordinates","199394","2020-10-21","18:00:00",""
"7228793","12.7021","0.0005","14.1024","0.0007","15.562","0.0008","90","","109.43","0.001","90","","2628.9","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 Cl5 Cu2 N8 O2 -","- C17 H21 Cl5 Cu2 N8 O2 -","- C68 H84 Cl20 Cu8 N32 O8 -","4","1","","Avasthi, Ilesha; Khanna, Shruti; Tripathi, Santosh K.; Verma, Sandeep","N9 substituent mediated structural tuning of copper‒purine complexes: chelate effect and thin film studies","CrystEngComm","2017","","","","","10.1039/C7CE01017F","","","0.71073","MoKα","","0.0228","0.0203","","","0.05","0.0514","","","","","","1.048","","","","has coordinates","199394","2020-10-21","18:00:00",""
"7228794","4.1206","0.0001","12.0535","0.0004","21.2191","0.0007","90","","90","","90","","1053.9","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H8 Cl N5 -","- C11 H8 Cl N5 -","- C44 H32 Cl4 N20 -","4","1","","Avasthi, Ilesha; Khanna, Shruti; Tripathi, Santosh K.; Verma, Sandeep","N9 substituent mediated structural tuning of copper‒purine complexes: chelate effect and thin film studies","CrystEngComm","2017","","","","","10.1039/C7CE01017F","","","0.71073","MoKα","","0.0428","0.0354","","","0.0772","0.0806","","","","","","1.104","","","","has coordinates","199394","2020-10-21","18:00:00",""
"7228795","14.292","0.004","15.123","0.005","8.344","0.006","90","","106.632","0.005","90","","1728","1.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 Cl2 Cu2 N10 O8 -","- C30 H28 Cl2 Cu2 N10 O8 -","- C60 H56 Cl4 Cu4 N20 O16 -","2","0.5","","Avasthi, Ilesha; Khanna, Shruti; Tripathi, Santosh K.; Verma, Sandeep","N9 substituent mediated structural tuning of copper‒purine complexes: chelate effect and thin film studies","CrystEngComm","2017","","","","","10.1039/C7CE01017F","","","0.71073","MoKα","","0.0315","0.0252","","","0.0614","0.0646","","","","","","1.009","","","","has coordinates","199394","2020-10-21","18:00:00",""
"7228796","14.861","0.008","14.801","0.008","10.073","0.005","90","","107.679","0.009","90","","2111","1.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Cl4 Cu N8 -","- C16 H18 Cl4 Cu N8 -","- C64 H72 Cl16 Cu4 N32 -","4","1","","Avasthi, Ilesha; Khanna, Shruti; Tripathi, Santosh K.; Verma, Sandeep","N9 substituent mediated structural tuning of copper‒purine complexes: chelate effect and thin film studies","CrystEngComm","2017","","","","","10.1039/C7CE01017F","","","0.71073","MoKα","","0.0458","0.0387","","","0.0961","0.1033","","","","","","0.95","","","","has coordinates","199394","2020-10-21","18:00:00",""
"7228797","15.6","0.01","6.591","0.006","16.8","0.01","90","","90","","90","","1727","2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H9 Cl N4 -","- C8 H9 Cl N4 -","- C64 H72 Cl8 N32 -","8","1","","Avasthi, Ilesha; Khanna, Shruti; Tripathi, Santosh K.; Verma, Sandeep","N9 substituent mediated structural tuning of copper‒purine complexes: chelate effect and thin film studies","CrystEngComm","2017","","","","","10.1039/C7CE01017F","","","0.71073","MoKα","","0.0652","0.0519","","","0.1319","0.1437","","","","","","1.009","","","","has coordinates","199394","2020-10-21","18:00:00",""
"7228798","4.8996","0.0008","24.168","0.004","9.3291","0.0015","90","","93.474","0.003","90","","1102.7","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","9-benzyl 6-chloro purine","","","- C12 H9 Cl N4 -","- C12 H9 Cl N4 -","- C48 H36 Cl4 N16 -","4","1","","Avasthi, Ilesha; Khanna, Shruti; Tripathi, Santosh K.; Verma, Sandeep","N9 substituent mediated structural tuning of copper‒purine complexes: chelate effect and thin film studies","CrystEngComm","2017","","","","","10.1039/C7CE01017F","","","0.71073","MoKα","","0.082","0.059","","","0.1519","0.2173","","","","","","1.057","","","","has coordinates","199394","2020-10-21","18:00:00",""
"7228799","6.089","0.004","14.91","0.005","16.172","0.006","90","","95.488","0.005","90","","1461.5","1.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H9 Cl5 Cu2 N4 O -","- C8 H9 Cl5 Cu2 N4 O -","- C32 H36 Cl20 Cu8 N16 O4 -","4","1","","Avasthi, Ilesha; Khanna, Shruti; Tripathi, Santosh K.; Verma, Sandeep","N9 substituent mediated structural tuning of copper‒purine complexes: chelate effect and thin film studies","CrystEngComm","2017","","","","","10.1039/C7CE01017F","","","0.71073","MoKα","","0.0387","0.0276","","","0.0625","0.0659","","","","","","1.034","","","","has coordinates","199394","2020-10-21","18:00:00",""
"7228800","9.3161","0.0007","26.987","0.002","13.2722","0.0009","90","","101.64","0.001","90","","3268.2","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 Cl Cu N7 O7 -","- C11 H10 Cl Cu N7 O7 -","- C88 H80 Cl8 Cu8 N56 O56 -","8","2","","Avasthi, Ilesha; Khanna, Shruti; Tripathi, Santosh K.; Verma, Sandeep","N9 substituent mediated structural tuning of copper‒purine complexes: chelate effect and thin film studies","CrystEngComm","2017","","","","","10.1039/C7CE01017F","","","0.71073","MoKα","","0.0492","0.0374","","","0.0829","0.0875","","","","","","1.077","","","","has coordinates","199394","2020-10-21","18:00:00",""
"7228802","14.1022","0.001","24.4684","0.0011","18.3507","0.0013","90","","98.97","0.007","90","","6254.6","0.7","170","0.1","170","10","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C67 H74 Br4 O9 -","- C67 H74 Br4 O9 -","- C268 H296 Br16 O36 -","4","1","","Turunen, Lotta; Pan, Fangfang; Beyeh, Ngong Kodiah; Cetina, Mario; Trant, John; Ras, Robin H.A.; Rissanen, Kari","Halogen-Bonded Solvates of Tetrahaloethynyl Cavitands","CrystEngComm","2017","","","","","10.1039/C7CE01118K","","x-ray","0.71073","MoKα","","0.1594","0.089","","","0.2202","0.2722","","","","","","1.019","","","","has coordinates,has disorder","199418","2020-10-21","18:00:00",""
"7228803","14.4249","0.0002","25.2475","0.0003","17.8123","0.0003","90","","100.836","0.0016","90","","6371.43","0.16","170","0.1","170","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C65 H69 Br4 Cl3 O8 -","- C65 H69 Br4 Cl3 O8 -","- C260 H276 Br16 Cl12 O32 -","4","1","","Turunen, Lotta; Pan, Fangfang; Beyeh, Ngong Kodiah; Cetina, Mario; Trant, John; Ras, Robin H.A.; Rissanen, Kari","Halogen-Bonded Solvates of Tetrahaloethynyl Cavitands","CrystEngComm","2017","","","","","10.1039/C7CE01118K","","x-ray","0.71073","MoKα","","0.0772","0.0505","","","0.1325","0.1495","","","","","","1.029","","","","has coordinates,has disorder","199418","2020-10-21","18:00:00",""
"7228804","12.8712","0.0005","16.8782","0.0007","20.3485","0.0012","111.18","0.005","95.315","0.004","99.321","0.003","4012.3","0.4","120.01","0.1","120.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C76 H100 I4 O12 S4 -","- C76 H100 I4 O12 S4 -","- C152 H200 I8 O24 S8 -","2","1","","Turunen, Lotta; Pan, Fangfang; Beyeh, Ngong Kodiah; Cetina, Mario; Trant, John; Ras, Robin H.A.; Rissanen, Kari","Halogen-Bonded Solvates of Tetrahaloethynyl Cavitands","CrystEngComm","2017","","","","","10.1039/C7CE01118K","","x-ray","1.54184","CuKα","","0.1471","0.092","","","0.2372","0.2885","","","","","","1.026","","","","has coordinates,has disorder","199418","2020-10-21","18:00:00",""
"7228805","14.222","0.0002","24.9361","0.0003","18.1166","0.0003","90","","98.6494","0.0016","90","","6351.82","0.16","123","0.1","123","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C66 H71 I4 N O8 -","- C66 H71 I4 N O8 -","- C264 H284 I16 N4 O32 -","4","1","","Turunen, Lotta; Pan, Fangfang; Beyeh, Ngong Kodiah; Cetina, Mario; Trant, John; Ras, Robin H.A.; Rissanen, Kari","Halogen-Bonded Solvates of Tetrahaloethynyl Cavitands","CrystEngComm","2017","","","","","10.1039/C7CE01118K","","x-ray","1.54184","CuKα","","0.0677","0.0515","","","0.1329","0.1462","","","","","","1.016","","","","has coordinates","199418","2020-10-21","18:00:00",""
"7228806","16.4002","0.001","17.5718","0.0008","19.1603","0.001","114.995","0.005","91.376","0.006","116.803","0.006","4306.9","0.6","123","0.1","123","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C78.5 H97 I4 O11.5 -","- C78.5 H97 I4 O11.5 -","- C157 H194 I8 O23 -","2","1","","Turunen, Lotta; Pan, Fangfang; Beyeh, Ngong Kodiah; Cetina, Mario; Trant, John; Ras, Robin H.A.; Rissanen, Kari","Halogen-Bonded Solvates of Tetrahaloethynyl Cavitands","CrystEngComm","2017","","","","","10.1039/C7CE01118K","","x-ray","1.54184","CuKα","","0.2671","0.2203","","","0.4934","0.5261","","","","","","1.044","","","","has coordinates,has disorder","199418","2020-10-21","18:00:00",""
"7228807","22.1144","0.0011","22.3258","0.0017","17.2116","0.0006","90","","101.036","0.004","90","","8340.6","0.8","123","0.1","123","0.1","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C73 H91 I4 N3 O11 -","- C73 H91 I4 N3 O11 -","- C292 H364 I16 N12 O44 -","4","0.5","","Turunen, Lotta; Pan, Fangfang; Beyeh, Ngong Kodiah; Cetina, Mario; Trant, John; Ras, Robin H.A.; Rissanen, Kari","Halogen-Bonded Solvates of Tetrahaloethynyl Cavitands","CrystEngComm","2017","","","","","10.1039/C7CE01118K","","","1.54184","CuKα","","0.13","0.101","","","0.2903","0.3324","","","","","","1.056","","","","has coordinates,has disorder","199418","2020-10-21","18:00:00",""
"7228808","16.7987","0.0004","20.0128","0.0004","24.3284","0.0007","90.053","0.002","92.142","0.002","97.4128","0.0019","8104.8","0.3","123","0.1","123","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C78.5 H100.5 I4 N3.5 O11.5 -","- C78.5 H100.5 I4 N3.5 O11.5 -","- C314 H402 I16 N14 O46 -","4","2","","Turunen, Lotta; Pan, Fangfang; Beyeh, Ngong Kodiah; Cetina, Mario; Trant, John; Ras, Robin H.A.; Rissanen, Kari","Halogen-Bonded Solvates of Tetrahaloethynyl Cavitands","CrystEngComm","2017","","","","","10.1039/C7CE01118K","","x-ray","1.54184","CuKα","","0.1307","0.0935","","","0.2546","0.3063","","","","","","1.038","","","","has coordinates,has disorder","199418","2020-10-21","18:00:00",""
"7228809","8.2252","0.0016","14.362","0.003","24.711","0.005","96.2","0.03","96.65","0.03","104.58","0.03","2777.4","1.1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H48 Ag2 F6 N4 O16 S2 -","- C60 H48 Ag2 F6 N4 O16 S2 -","- C120 H96 Ag4 F12 N8 O32 S4 -","2","1","","Chen, Jing; Voutier, Noémie; Rajabi, Jamshid; Crochet, Aurelien; Bassani, Dario; Fromm, Katharina","Influence of Anions and Solvent Molecules on the Packing and Emission Spectra of Coordination Polymers Based on Silver ions and an Anthracene Derivative","CrystEngComm","2017","","","","","10.1039/C7CE00846E","","x-ray","0.71073","MoKα","","0.0814","0.077","","","0.2081","0.2101","","","","","","1.018","","","","has coordinates","199419","2020-10-21","18:00:00",""
"7228810","8.2703","0.0017","12.916","0.003","13.267","0.003","98.584","0.016","99.288","0.016","98.638","0.017","1360.7","0.5","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H20 Ag F3 N2 O7 S -","- C29 H20 Ag F3 N2 O7 S -","- C58 H40 Ag2 F6 N4 O14 S2 -","2","1","","Chen, Jing; Voutier, Noémie; Rajabi, Jamshid; Crochet, Aurelien; Bassani, Dario; Fromm, Katharina","Influence of Anions and Solvent Molecules on the Packing and Emission Spectra of Coordination Polymers Based on Silver ions and an Anthracene Derivative","CrystEngComm","2017","","","","","10.1039/C7CE00846E","","x-ray","0.71073","MoKα","","0.1699","0.0922","","","0.187","0.2257","","","","","","1.094","","","","has coordinates","199419","2020-10-21","18:00:00",""
"7228811","32.985","0.002","5.4535","0.0002","14.469","0.0009","90","","112.955","0.005","90","","2396.6","0.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H20 Ag N3 O7 -","- C28 H20 Ag N3 O7 -","- C112 H80 Ag4 N12 O28 -","4","0.5","","Chen, Jing; Voutier, Noémie; Rajabi, Jamshid; Crochet, Aurelien; Bassani, Dario; Fromm, Katharina","Influence of Anions and Solvent Molecules on the Packing and Emission Spectra of Coordination Polymers Based on Silver ions and an Anthracene Derivative","CrystEngComm","2017","","","","","10.1039/C7CE00846E","","x-ray","0.71073","MoKα","","0.0622","0.0529","","","0.1577","0.1658","","","","","","1.007","","","","has coordinates,has disorder","199419","2020-10-21","18:00:00",""
"7228812","8.2044","0.0004","9.4246","0.0004","16.7815","0.0008","93.942","0.004","96.876","0.004","91.701","0.004","1284.28","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H24 Ag N3 O8 -","- C29 H24 Ag N3 O8 -","- C58 H48 Ag2 N6 O16 -","2","1","","Chen, Jing; Voutier, Noémie; Rajabi, Jamshid; Crochet, Aurelien; Bassani, Dario; Fromm, Katharina","Influence of Anions and Solvent Molecules on the Packing and Emission Spectra of Coordination Polymers Based on Silver ions and an Anthracene Derivative","CrystEngComm","2017","","","","","10.1039/C7CE00846E","","x-ray","0.71073","MoKα","","0.0734","0.0608","","","0.144","0.1512","","","","","","1.084","","","","has coordinates","199419","2020-10-21","18:00:00",""
"7228813","4.82","0.0005","9.353","0.001","11.782","0.0012","99.589","0.008","99.411","0.008","90.265","0.008","516.4","0.09","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","anthracene-9,10-diylbil(methylene) dinicotinate","","- C28 H20 N2 O4 -","- C28 H20 N2 O4 -","- C28 H20 N2 O4 -","1","0.5","","Chen, Jing; Voutier, Noémie; Rajabi, Jamshid; Crochet, Aurelien; Bassani, Dario; Fromm, Katharina","Influence of Anions and Solvent Molecules on the Packing and Emission Spectra of Coordination Polymers Based on Silver ions and an Anthracene Derivative","CrystEngComm","2017","","","","","10.1039/C7CE00846E","","x-ray","0.71073","MoKα","","0.0895","0.0466","","","0.0879","0.0971","","","","","","0.986","","","","has coordinates","199419","2020-10-21","18:00:00",""
"7228814","8.331","0.003","12.208","0.004","14.076","0.004","97.35","0.02","105.78","0.03","97.3","0.03","1346.5","0.8","250","2","250","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H26 Ag N3 O8 -","- C30 H26 Ag N3 O8 -","- C60 H52 Ag2 N6 O16 -","2","1","","Chen, Jing; Voutier, Noémie; Rajabi, Jamshid; Crochet, Aurelien; Bassani, Dario; Fromm, Katharina","Influence of Anions and Solvent Molecules on the Packing and Emission Spectra of Coordination Polymers Based on Silver ions and an Anthracene Derivative","CrystEngComm","2017","","","","","10.1039/C7CE00846E","","x-ray","0.71073","MoKα","","0.1428","0.0499","","","0.0959","0.1268","","","","","","0.868","","","","has coordinates","199419","2020-10-21","18:00:00",""
"7228819","13.918","0.005","8.908","0.003","17.689","0.007","90","","94.416","0.007","90","","2186.6","1.4","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","CuNaph","","- C48 H44 Cu2 O12 -","- C48 H44 Cu2 O12 -","- C96 H88 Cu4 O24 -","2","0.5","","Ohmura, Tetsushi; Setoyama, Norihiko; Mukae, Yusuke; Usuki, Arimitsu; Senda, Shunsuke; Matsumoto, Tsuyoshi; Tatsumi, Kazuyuki","Supramolecular Porphyrin-Based Metal-Organic Frameworks: Cu(II) Naphthoate-Cu(II) TetraPyridyl Porphine Structures Exhibiting Selective CO2/N2 Separation","CrystEngComm","2017","","","","","10.1039/C7CE01138E","","","0.7107","MoKα","","","0.0429","","","","0.0539","","","","","","1.023","","","","has coordinates","199447","2020-10-21","18:00:00",""
"7228820","22.346","0.0007","22.346","0.0007","14.2977","0.0007","90","","90","","90","","7139.5","0.5","113","","113","","","","","","","","","5","I 4/m m m","-I 4 2","139","","CuAcO-CuTPyP","","- C7 H7 Cu0.63 N O2 -","- C7 H7 Cu0.625 N O2 -","- C112 H112 Cu10 N16 O32 -","16","0.5","","Ohmura, Tetsushi; Setoyama, Norihiko; Mukae, Yusuke; Usuki, Arimitsu; Senda, Shunsuke; Matsumoto, Tsuyoshi; Tatsumi, Kazuyuki","Supramolecular Porphyrin-Based Metal-Organic Frameworks: Cu(II) Naphthoate-Cu(II) TetraPyridyl Porphine Structures Exhibiting Selective CO2/N2 Separation","CrystEngComm","2017","","","","","10.1039/C7CE01138E","","","0.71075","MoKα","","0.0709","0.0486","","","0.1624","0.1721","","","","","","1.148","","","","has coordinates","199447","2020-10-21","18:00:00",""
"7228821","17.653","0.004","43.763","0.011","18.317","0.005","90","","102.967","0.003","90","","13790","6","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C128 H80 Cu5 N8 O16 -","- C128 H80 Cu5 N8 O16 -","- C512 H320 Cu20 N32 O64 -","4","1","","Ohmura, Tetsushi; Setoyama, Norihiko; Mukae, Yusuke; Usuki, Arimitsu; Senda, Shunsuke; Matsumoto, Tsuyoshi; Tatsumi, Kazuyuki","Supramolecular Porphyrin-Based Metal-Organic Frameworks: Cu(II) Naphthoate-Cu(II) TetraPyridyl Porphine Structures Exhibiting Selective CO2/N2 Separation","CrystEngComm","2017","","","","","10.1039/C7CE01138E","","","0.71075","MoKα","","0.1824","0.0987","","","0.2487","0.2979","","","","","","0.951","","","","has coordinates","199447","2020-10-21","18:00:00",""
"7228822","17.6894","0.0018","6.6145","0.0007","23.997","0.003","90","","100.392","0.011","90","","2761.7","0.5","298","2","298","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C10 H24 N O4 P -","- C10 H24 N O4 P -","- C80 H192 N8 O32 P8 -","8","1","","Bhat, Gulzar A.; Kalita, Alok Ch; Murugavel, Ramaswamy","Intriguing Structural Chemistry of Neutral and Anionic Layered Monoalkylphosphates: Single-Source Precursors for High-Yield Ceramic Phosphates","CrystEngComm","2017","","","","","10.1039/C7CE01066D","","","0.71073","MoKα","","0.0821","0.0592","","","0.1361","0.1503","","","","","","1.049","","","","has coordinates","199448","2020-10-21","18:00:00",""
"7228823","22.8176","0.001","5.9912","0.0003","18.3149","0.0007","90","","96.199","0.004","90","","2489.1","0.19","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H20 N O4 P -","- C8 H20 N O4 P -","- C64 H160 N8 O32 P8 -","8","1","","Bhat, Gulzar A.; Kalita, Alok Ch; Murugavel, Ramaswamy","Intriguing Structural Chemistry of Neutral and Anionic Layered Monoalkylphosphates: Single-Source Precursors for High-Yield Ceramic Phosphates","CrystEngComm","2017","","","","","10.1039/C7CE01066D","","","0.71073","MoKα","","0.0574","0.0464","","","0.115","0.1248","","","","","","1.05","","","","has coordinates","199448","2020-10-21","18:00:00",""
"7228824","12.6511","0.0005","6.4515","0.0002","24.2892","0.0007","90","","98.918","0.003","90","","1958.48","0.11","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H37 N2 O7 P -","- C13 H37 N2 O7 P -","- C52 H148 N8 O28 P4 -","4","1","","Bhat, Gulzar A.; Kalita, Alok Ch; Murugavel, Ramaswamy","Intriguing Structural Chemistry of Neutral and Anionic Layered Monoalkylphosphates: Single-Source Precursors for High-Yield Ceramic Phosphates","CrystEngComm","2017","","","","","10.1039/C7CE01066D","","","0.71073","MoKα","","0.0927","0.0794","","","0.2217","0.2375","","","","","","1.043","","","","has coordinates","199448","2020-10-21","18:00:00",""
"7228825","14.6655","0.0002","14.6655","0.0002","5.8852","0.0001","90","","90","","90","","1265.77","0.03","150","2","150","2","","","","","","","","4","P 42/n","-P 4bc","86","","","","- C3 H9 O4 P -","- C3 H9 O4 P -","- C24 H72 O32 P8 -","8","","","Bhat, Gulzar A.; Kalita, Alok Ch; Murugavel, Ramaswamy","Intriguing Structural Chemistry of Neutral and Anionic Layered Monoalkylphosphates: Single-Source Precursors for High-Yield Ceramic Phosphates","CrystEngComm","2017","","","","","10.1039/C7CE01066D","","","0.71073","MoKα","","0.0312","0.0305","","","0.0887","0.0896","","","","","","1.084","","","","has coordinates","199448","2020-10-21","18:00:00",""
"7228826","13.4545","0.0012","6.1394","0.0004","16.6944","0.0012","90","","107.778","0.008","90","","1313.15","0.18","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H22 N O4 P -","- C9 H22 N O4 P -","- C36 H88 N4 O16 P4 -","4","1","","Bhat, Gulzar A.; Kalita, Alok Ch; Murugavel, Ramaswamy","Intriguing Structural Chemistry of Neutral and Anionic Layered Monoalkylphosphates: Single-Source Precursors for High-Yield Ceramic Phosphates","CrystEngComm","2017","","","","","10.1039/C7CE01066D","","","0.71073","MoKα","","0.107","0.0935","","","0.2879","0.2919","","","","","","1.136","","","","has coordinates","199448","2020-10-21","18:00:00",""
"7228827","13.596","0.007","10.066","0.005","15.921","0.009","90","","111.966","0.009","90","","2020.7","1.8","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H31 N O8 P2 -","- C12 H31 N O8 P2 -","- C48 H124 N4 O32 P8 -","4","1","","Bhat, Gulzar A.; Kalita, Alok Ch; Murugavel, Ramaswamy","Intriguing Structural Chemistry of Neutral and Anionic Layered Monoalkylphosphates: Single-Source Precursors for High-Yield Ceramic Phosphates","CrystEngComm","2017","","","","","10.1039/C7CE01066D","","","0.71075","MoKα","","0.0598","0.0572","","","0.1504","0.1522","","","","","","1.167","","","","has coordinates","199448","2020-10-21","18:00:00",""
"7228833","7.4332","0.0012","12.5638","0.0019","12.657","0.002","67.799","0.01","78.034","0.013","78.704","0.013","1061.6","0.3","296","2","296","","","","","","","","","5","P 1","P 1","1","","(S,S)-Bis(2-hydroxypropylthio)(ethylenedithio) tetrathiafulvalene) chloride.H20","","- C14 H20 Cl O3 S8 -","- C14 H20 Cl O3 S8 -","- C28 H40 Cl2 O6 S16 -","2","2","","Lopez, Jordan R.; Martin, Lee; Wallis, John D.; Akutsu, Hiroki; Yamada, Jun-ichi; Nakatsuji, Shin-ichi; Wilson, Claire; Christensen, Jeppe; Coles, Simon J.","New semiconducting radical-cation salts of chiral bis(2-hydroxylpropylthio)ethylenedithio TTF","CrystEngComm","2017","","","","","10.1039/C7CE01014A","","","0.71075","MoKα","","0.0647","0.0497","","","0.1291","0.1401","","","","","","1.07","","","","has coordinates","199479","2020-10-21","18:00:00",""
"7228834","7.937","0.0007","21.4936","0.0016","27.622","0.003","90","","90","","90","","4712.2","0.7","298","","298","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C14 H18 F6 O2 P S8 -","- C14 H18 F6 O2 P S8 -","- C112 H144 F48 O16 P8 S64 -","8","1","","Lopez, Jordan R.; Martin, Lee; Wallis, John D.; Akutsu, Hiroki; Yamada, Jun-ichi; Nakatsuji, Shin-ichi; Wilson, Claire; Christensen, Jeppe; Coles, Simon J.","New semiconducting radical-cation salts of chiral bis(2-hydroxylpropylthio)ethylenedithio TTF","CrystEngComm","2017","","","","","10.1039/C7CE01014A","","","0.71075","MoKα","","","0.0517","","","","0.1618","","","","","","1.199","","","","has coordinates","199479","2020-10-21","18:00:00",""
"7228835","7.8561","0.0006","21.2753","0.0016","27.155","0.002","90","","90","","90","","4538.7","0.6","296","","296","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C14 H18 Cl O6 S8 -","- C14 H18 Cl O6.005 S8 -","- C112 H144 Cl8 O48.04 S64 -","8","1","","Lopez, Jordan R.; Martin, Lee; Wallis, John D.; Akutsu, Hiroki; Yamada, Jun-ichi; Nakatsuji, Shin-ichi; Wilson, Claire; Christensen, Jeppe; Coles, Simon J.","New semiconducting radical-cation salts of chiral bis(2-hydroxylpropylthio)ethylenedithio TTF","CrystEngComm","2017","","","","","10.1039/C7CE01014A","","","0.71075","MoKα","","","0.0589","","","","0.1424","","","","","","1.052","","","","has coordinates","199479","2020-10-21","18:00:00",""
"7228836","7.707","0.016","21.04","0.04","26.59","0.05","90","","90","","90","","4312","15","100","","100","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C14 H18 Cl O6 S8 -","- C14 H18 Cl O6 S8 -","- C112 H144 Cl8 O48 S64 -","8","1","","Lopez, Jordan R.; Martin, Lee; Wallis, John D.; Akutsu, Hiroki; Yamada, Jun-ichi; Nakatsuji, Shin-ichi; Wilson, Claire; Christensen, Jeppe; Coles, Simon J.","New semiconducting radical-cation salts of chiral bis(2-hydroxylpropylthio)ethylenedithio TTF","CrystEngComm","2017","","","","","10.1039/C7CE01014A","","","0.6889","","","0.2257","0.1393","","","0.3193","0.3991","","","","","","1.031","","","","has coordinates,has disorder","199479","2020-10-21","18:00:00",""
"7228837","7.8564","0.0018","21.389","0.005","27.036","0.006","90","","90","","90","","4543.1","1.8","100","","100","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C14 H18 F6 O2 P S8 -","- C14 H18 F6 O2 P S8 -","- C112 H144 F48 O16 P8 S64 -","8","1","","Lopez, Jordan R.; Martin, Lee; Wallis, John D.; Akutsu, Hiroki; Yamada, Jun-ichi; Nakatsuji, Shin-ichi; Wilson, Claire; Christensen, Jeppe; Coles, Simon J.","New semiconducting radical-cation salts of chiral bis(2-hydroxylpropylthio)ethylenedithio TTF","CrystEngComm","2017","","","","","10.1039/C7CE01014A","","","0.71075","MoKα","","0.07","0.0678","","","0.155","0.1568","","","","","","1.205","","","","has coordinates,has disorder","199479","2020-10-21","18:00:00",""
"7228838","9.831","0.0002","19.9437","0.0004","10.6022","0.0002","90","","97.857","0.002","90","","2059.22","0.07","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(S,S)-Bis(2-hydroxypropylthio)(ethylenedithio) tetrathiafulvalene) bromide","","- C14 H18 Br O2 S8 -","- C14 H18 Br O2 S8 -","- C56 H72 Br4 O8 S32 -","4","2","","Lopez, Jordan R.; Martin, Lee; Wallis, John D.; Akutsu, Hiroki; Yamada, Jun-ichi; Nakatsuji, Shin-ichi; Wilson, Claire; Christensen, Jeppe; Coles, Simon J.","New semiconducting radical-cation salts of chiral bis(2-hydroxylpropylthio)ethylenedithio TTF","CrystEngComm","2017","","","","","10.1039/C7CE01014A","","","0.71073","MoKα","","0.0375","0.0342","","","0.0741","0.0759","","","","","","1.04","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7228839","5.6157","0.0003","5.8013","0.0003","15.5403","0.0008","85.616","0.002","89.138","0.002","80.7","0.002","498.16","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H10 F4 I2 N6 O2 -","- C16 H10 F4 I2 N6 O2 -","- C16 H10 F4 I2 N6 O2 -","1","0.5","","Choquesillo-Lazarte, Duane; Nemec, Vinko; Cinčić, Dominik","Halogen bonded cocrystals of active pharmaceutical ingredients: pyrazinamide, lidocaine and pentoxifylline in combination with haloperfluorinated compounds","CrystEngComm","2017","","","","","10.1039/C7CE01252G","","","0.71073","MoKα","","0.0356","0.0278","","","0.0593","0.062","","","","","","1.109","","","","has coordinates","199480","2020-10-21","18:00:00",""
"7228840","8.3275","0.0015","15.183","0.003","15.17","0.003","90","","100.678","0.006","90","","1884.8","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H22 F2 I N2 O -","- C17 H22 F2 I N2 O -","- C68 H88 F8 I4 N8 O4 -","4","1","","Choquesillo-Lazarte, Duane; Nemec, Vinko; Cinčić, Dominik","Halogen bonded cocrystals of active pharmaceutical ingredients: pyrazinamide, lidocaine and pentoxifylline in combination with haloperfluorinated compounds","CrystEngComm","2017","","","","","10.1039/C7CE01252G","","","1.54178","CuKα","","0.0558","0.0449","","","0.1228","0.1377","","","","","","1.07","","","","has coordinates","199480","2020-10-21","18:00:00",""
"7228841","5.2164","0.0008","5.7379","0.001","16.463","0.003","98.285","0.005","90.049","0.005","102.844","0.005","475.14","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H10 Br2 F4 N6 O2 -","- C16 H10 Br2 F4 N6 O2 -","- C16 H10 Br2 F4 N6 O2 -","1","0.5","","Choquesillo-Lazarte, Duane; Nemec, Vinko; Cinčić, Dominik","Halogen bonded cocrystals of active pharmaceutical ingredients: pyrazinamide, lidocaine and pentoxifylline in combination with haloperfluorinated compounds","CrystEngComm","2017","","","","","10.1039/C7CE01252G","","","0.71073","MoKα","","0.0778","0.044","","","0.0893","0.101","","","","","","1.038","","","","has coordinates","199480","2020-10-21","18:00:00",""
"7228842","5.0832","0.0006","11.3132","0.0014","16.794","0.002","107.353","0.007","96.484","0.007","90.132","0.007","915.26","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H36 Br2 F4 N8 O6 -","- C32 H36 Br2 F4 N8 O6 -","- C32 H36 Br2 F4 N8 O6 -","1","0.5","","Choquesillo-Lazarte, Duane; Nemec, Vinko; Cinčić, Dominik","Halogen bonded cocrystals of active pharmaceutical ingredients: pyrazinamide, lidocaine and pentoxifylline in combination with haloperfluorinated compounds","CrystEngComm","2017","","","","","10.1039/C7CE01252G","","","1.54178","CuKα","","0.1044","0.051","","","0.1236","0.1467","","","","","","1.049","","","","has coordinates","199480","2020-10-21","18:00:00",""
"7228843","8.1092","0.0004","14.9953","0.0007","15.2066","0.0008","90","","101.158","0.002","90","","1814.17","0.16","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H22 Br F2 N2 O -","- C17 H22 Br F2 N2 O -","- C68 H88 Br4 F8 N8 O4 -","4","1","","Choquesillo-Lazarte, Duane; Nemec, Vinko; Cinčić, Dominik","Halogen bonded cocrystals of active pharmaceutical ingredients: pyrazinamide, lidocaine and pentoxifylline in combination with haloperfluorinated compounds","CrystEngComm","2017","","","","","10.1039/C7CE01252G","","","0.71073","MoKα","","0.0709","0.0541","","","0.1453","0.1589","","","","","","1.057","","","","has coordinates","199480","2020-10-21","18:00:00",""
"7228844","16.5437","0.0005","31.4061","0.0009","4.4844","0.0001","90","","90","","90","","2329.97","0.11","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C19 H18 F4 I2 N4 O3 -","- C19 H18 F4 I2 N4 O3 -","- C76 H72 F16 I8 N16 O12 -","4","1","","Choquesillo-Lazarte, Duane; Nemec, Vinko; Cinčić, Dominik","Halogen bonded cocrystals of active pharmaceutical ingredients: pyrazinamide, lidocaine and pentoxifylline in combination with haloperfluorinated compounds","CrystEngComm","2017","","","","","10.1039/C7CE01252G","","","1.54178","CuKα","","0.0953","0.0531","","","0.1338","0.1613","","","","","","1.031","","","","has coordinates","199480","2020-10-21","18:00:00",""
"7228845","12.5412","0.0009","12.9653","0.0009","14.9803","0.001","113.869","0.002","95.216","0.002","90.096","0.002","2216.3","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H24 N2 O20 Zn3 -","- C28 H24 N2 O20 Zn3 -","- C56 H48 N4 O40 Zn6 -","2","1","","wang, Jun; Ma, De-Yun; Liao, Weilin; Li, Shujun; Huang, Manfei; Liu, Huimin; Wang, Yifei; Xie, Rui; xu, jun","A hydrostable anionic zinc-organic framework carrier with a bcu topology for drug delivery","CrystEngComm","2017","","","","","10.1039/C7CE01238A","","","0.71073","MoKα","","0.0948","0.0529","","","0.1224","0.1483","","","","","","0.94","","","","has coordinates","199481","2020-10-21","18:00:00",""
"7228853","16.783","0.008","16.783","0.008","30.325","0.017","90","","90","","120","","7397","6","296.15","","296.15","","","","","","","","","6","R -3","-R 3","148","","","","- C78 H66 Cd3 N12 O20 P2 -","- C78 H66 Cd3 N12 O20 P2 -","- C234 H198 Cd9 N36 O60 P6 -","3","","","Huo, Liangqin; Zhang, Jie; Gao, Lingling; Wang, Xiaoqing; Liming, Fan; Fang, Kegong; Hu, Tuoping","Two Cadmium Coordination Polymers Based on Tris(p-carboxyphenyl) phosphane Oxide with Highly Selective Sensing of Nitrobenzene Derivatives and Hg2+ Cation","CrystEngComm","2017","","","","","10.1039/C7CE01227F","","","0.71073","MoKα","","0.0817","0.0589","","","0.1618","0.1715","","","","","","0.962","","","","has coordinates","199539","2020-10-21","18:00:00",""
"7228854","9.9742","0.0012","13.766","0.0016","26.363","0.003","94.356","0.003","92.135","0.003","93.846","0.003","3597.9","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C78 H60 Cd2 N8 O17 P2 -","- C78 H60 Cd2 N8 O17 P2 -","- C156 H120 Cd4 N16 O34 P4 -","2","1","","Huo, Liangqin; Zhang, Jie; Gao, Lingling; Wang, Xiaoqing; Liming, Fan; Fang, Kegong; Hu, Tuoping","Two Cadmium Coordination Polymers Based on Tris(p-carboxyphenyl) phosphane Oxide with Highly Selective Sensing of Nitrobenzene Derivatives and Hg2+ Cation","CrystEngComm","2017","","","","","10.1039/C7CE01227F","","","0.71073","MoKα","","0.0883","0.0579","","","0.1465","0.1652","","","","","","1.058","","","","has coordinates,has disorder","199539","2020-10-21","18:00:00",""
"7228855","25.876","0.004","25.876","0.004","16.283","0.003","90","","90","","90","","10903","3","100","","100","","","","","","","","","5","I 41","I 4bw","80","2Zn","","","- C35 H36 N2 O10 Zn -","- C35 H35 N2 O10 Zn -","- C280 H280 N16 O80 Zn8 -","8","1","","Emerson, Adrian; Hawes, Chris Samuel; Knowles, Gregory P.; Chaffee, Alan L.; Batten, Stuart R.; Turner, David Roger","Coordination polymers from a flexible alkyldiamine-derived ligand","CrystEngComm","2017","","","","","10.1039/C7CE01133D","","","0.7108","Synchrotron","","0.0783","0.0594","","","0.1754","0.1953","","","","","","1.021","","","","has coordinates","199540","2020-10-21","18:00:00",""
"7228856","8.565","0.0017","10.777","0.002","37.736","0.008","90","","95.41","0.03","90","","3467.7","1.2","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","H6L1","","","- C35 H42 Cl2 N2 O11 -","- C35 H42 Cl2 N2 O11 -","- C140 H168 Cl8 N8 O44 -","4","1","","Emerson, Adrian; Hawes, Chris Samuel; Knowles, Gregory P.; Chaffee, Alan L.; Batten, Stuart R.; Turner, David Roger","Coordination polymers from a flexible alkyldiamine-derived ligand","CrystEngComm","2017","","","","","10.1039/C7CE01133D","","","0.7108","Synchrotron","","0.0771","0.0644","","","0.1453","0.1522","","","","","","1.084","","","","has coordinates","199540","2020-10-21","18:00:00",""
"7228857","30.23","0.006","27.415","0.005","26.578","0.005","90","","90","","90","","22027","7","100","","100","","","","","","","","","5","P n n a","-P 2a 2bc","52","1Cu","","","- C70 H68 Cu4 N4 O20 -","- C70 H68 Cu4 N4 O20 -","- C560 H544 Cu32 N32 O160 -","8","1","","Emerson, Adrian; Hawes, Chris Samuel; Knowles, Gregory P.; Chaffee, Alan L.; Batten, Stuart R.; Turner, David Roger","Coordination polymers from a flexible alkyldiamine-derived ligand","CrystEngComm","2017","","","","","10.1039/C7CE01133D","","","0.7108","Synchrotron","","0.1758","0.1137","","","0.3257","0.3668","","","","","","1.112","","","","has coordinates","199540","2020-10-21","18:00:00",""
"7228858","9.7703","0.00015","12.02971","0.00018","12.786","0.0002","90","","90.6565","0.0014","90","","1502.69","0.04","100","2","100","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","7-Methyl Dianin's compound","p-Hydroxyphenyl-2,2,4,7-tetramethylchroman","","- C19 H22 O2 -","- C19 H22 O2 -","- C76 H88 O8 -","4","1","","Frampton, Christopher Stephen; Gall, James H.; MacNicol, David D.","Total CCl4 guest alignment in a quasiracemic clathrate closely related to Dianin’s compound","CrystEngComm","2017","","","","","10.1039/C7CE01275F","","","1.54184","CuKα","","0.0371","0.035","","","0.0906","0.0928","","","","","","1.026","","","","has coordinates","199628","2020-10-21","18:00:00",""
"7228859","26.5576","0.0005","26.5576","0.0005","11.1274","0.0004","90","","90","","120","","6796.8","0.3","100","1","100","1","","","","","","","","4","R 3 :H","R 3","146","JACQ03 Quasiracemate, 4S-Dianins, 2S,4R nor analogue0.33 Tetrachloromethane solvate","4S-4-p-hydroxyphenyl-2,2,4-trimethylchroman, 2S,4R-4-p-hydroxyphenyl-2,4-dimethylchroman, 0.33 Tetrachloromethane solvate","","- C35.33333 H38 Cl1.33333 O4 -","- C35.3333 H38 Cl1.33333 O4 -","- C318 H342 Cl12 O36 -","9","1","","Frampton, Christopher Stephen; Gall, James H.; MacNicol, David D.","Total CCl4 guest alignment in a quasiracemic clathrate closely related to Dianin’s compound","CrystEngComm","2017","","","","","10.1039/C7CE01275F","","","1.54178","CuKα","","0.0346","0.0331","","","0.088","0.0931","","","","","","1.001","","","","has coordinates","212870","2020-10-21","18:00:00",""
"7228860","26.3307","0.0003","26.3307","0.0003","11.1874","0.0003","90","","90","","120","","6717.1","0.2","100","1","100","1","","","","","","","","4","R 3 :H","R 3","146","JACQ02 Quasiracemate, 2R,4R AND 2R,4S nor methyl analogues0.33 Tetrachloromethane solvate","2R,4R-4-p-hydroxyphenyl-2,4-dimethylchroman,2R,4S-4-p-hydroxyphenyl-2,4-dimethylchroman.0.33 Tetrachloromethane solvate","","- C103 H108 Cl4 O12 -","- C103 H108 Cl4 O12 -","- C309 H324 Cl12 O36 -","3","0.333333","","Frampton, Christopher Stephen; Gall, James H.; MacNicol, David D.","Total CCl4 guest alignment in a quasiracemic clathrate closely related to Dianin’s compound","CrystEngComm","2017","","","","","10.1039/C7CE01275F","","","1.54178","CuKα","","0.0493","0.0489","","","0.1353","0.1363","","","","","","1.061","","","","has coordinates,has disorder","199628","2020-10-21","18:00:00",""
"7228861","14.14913","0.00016","6.42088","0.00006","18.3566","0.0002","90","","111.973","0.0013","90","","1546.55","0.03","100","1","100","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","6-Methyl Dianin's compound","p-Hydroxyphenyl-2,2,4,6-tetramethylchroman","","- C19 H22 O2 -","- C19 H22 O2 -","- C76 H88 O8 -","4","1","","Frampton, Christopher Stephen; Gall, James H.; MacNicol, David D.","Total CCl4 guest alignment in a quasiracemic clathrate closely related to Dianin’s compound","CrystEngComm","2017","","","","","10.1039/C7CE01275F","","","1.54184","CuKα","","0.0378","0.0355","","","0.0914","0.0934","","","","","","1.019","","","","has coordinates","199628","2020-10-21","18:00:00",""
"7228864","26.362","0.002","5.8842","0.0005","8.6253","0.0007","90","","92.291","0.005","90","","1336.88","0.19","89","2","89","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(3-methylphenyl)-2-naphthamide","","- C18 H15 N O -","- C18 H15 N O -","- C72 H60 N4 O4 -","4","1","","shukla, rahul; Saeed, Aamer; Simpson, Jim; Chopra, Deepak","Quantitative investigation of C-H…π and other intermolecular interactions in a series of crystalline N-(substituted phenyl)-2-naphthamide derivatives.","CrystEngComm","2017","","","","","10.1039/C7CE01310H","","","0.71073","MoKα","","0.1086","0.0895","","","0.2443","0.255","","","","","","1.084","","","","has coordinates","199653","2020-10-21","18:00:00",""
"7228865","28.7372","0.0016","5.4797","0.0003","7.8381","0.0005","90","","104.767","0.003","90","","1193.51","0.12","89","2","89","2","","","","","","","","4","C 1 c 1","C -2yc","9","","N-phenyl-2-naphthamide","","- C17 H13 N O -","- C17 H13 N O -","- C68 H52 N4 O4 -","4","1","","shukla, rahul; Saeed, Aamer; Simpson, Jim; Chopra, Deepak","Quantitative investigation of C-H…π and other intermolecular interactions in a series of crystalline N-(substituted phenyl)-2-naphthamide derivatives.","CrystEngComm","2017","","","","","10.1039/C7CE01310H","","","0.71073","MoKα","","0.0529","0.0445","","","0.1103","0.1152","","","","","","1.042","","","","has coordinates","199653","2020-10-21","18:00:00",""
"7228866","5.5994","0.0011","7.473","0.0015","15.867","0.003","88.78","0.03","84.12","0.03","84.82","0.03","657.7","0.2","89","2","89","2","","","","","","","","5","P -1","-P 1","2","","N-(4-chlorophenyl)-2-naphthamide","","- C17 H12 Cl N O -","- C17 H12 Cl N O -","- C34 H24 Cl2 N2 O2 -","2","1","","shukla, rahul; Saeed, Aamer; Simpson, Jim; Chopra, Deepak","Quantitative investigation of C-H…π and other intermolecular interactions in a series of crystalline N-(substituted phenyl)-2-naphthamide derivatives.","CrystEngComm","2017","","","","","10.1039/C7CE01310H","","","0.71073","MoKα","","0.0494","0.0392","","","0.1044","0.1104","","","","","","1.065","","","","has coordinates","199653","2020-10-21","18:00:00",""
"7228867","9.7762","0.0005","11.4779","0.0005","24.3526","0.0011","90","","90","","90","","2732.6","0.2","89","2","89","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-(3-methoxyphenyl)-2-naphthamide","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C144 H120 N8 O16 -","8","2","","shukla, rahul; Saeed, Aamer; Simpson, Jim; Chopra, Deepak","Quantitative investigation of C-H…π and other intermolecular interactions in a series of crystalline N-(substituted phenyl)-2-naphthamide derivatives.","CrystEngComm","2017","","","","","10.1039/C7CE01310H","","","0.71073","MoKα","","0.0555","0.0431","","","0.1073","0.1144","","","","","","1.043","","","","has coordinates","199653","2020-10-21","18:00:00",""
"7228868","5.182","0.0009","6.5439","0.0011","19.416","0.003","90","","92.448","0.009","90","","657.81","0.19","89","2","89","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-cyclohexyl-2-naphthamide","","- C17 H19 N O -","- C17 H19 N O -","- C34 H38 N2 O2 -","2","1","","shukla, rahul; Saeed, Aamer; Simpson, Jim; Chopra, Deepak","Quantitative investigation of C-H…π and other intermolecular interactions in a series of crystalline N-(substituted phenyl)-2-naphthamide derivatives.","CrystEngComm","2017","","","","","10.1039/C7CE01310H","","","0.71073","MoKα","","0.0628","0.0486","","","0.1417","0.1692","","","","","","1.09","","","","has coordinates","199653","2020-10-21","18:00:00",""
"7228869","5.5162","0.0006","7.4987","0.0007","16.1006","0.0017","86.535","0.003","87.169","0.004","86.154","0.004","662.59","0.12","89","2","89","2","","","","","","","","4","P -1","-P 1","2","","N-(4-methoxyphenyl)-2-naphthamide","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C36 H30 N2 O4 -","2","1","","shukla, rahul; Saeed, Aamer; Simpson, Jim; Chopra, Deepak","Quantitative investigation of C-H…π and other intermolecular interactions in a series of crystalline N-(substituted phenyl)-2-naphthamide derivatives.","CrystEngComm","2017","","","","","10.1039/C7CE01310H","","","0.71073","MoKα","","0.0588","0.0464","","","0.1374","0.1534","","","","","","1.071","","","","has coordinates","199653","2020-10-21","18:00:00",""
"7228870","8.027","0.0008","5.9177","0.0005","35.133","0.003","90","","90.186","0.001","90","","1668.9","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 N O S -","- C22 H15 N O S -","- C88 H60 N4 O4 S4 -","4","1","","Niu , Yahui; Xu, Longfei; Wang, Qin; Wu, Haoran; Zhang, Yanrong","Planar 2-(2-hydroxyphenyl)benzothiazole-based dyes functionalized via triple bonds as exceedingly efficient solid-state fluorophores","CrystEngComm","2017","","","","","10.1039/C7CE01108C","","","0.71073","MoKα","","0.0799","0.057","","","0.1308","0.1411","","","","","","1.056","","","","has coordinates","199654","2020-10-21","18:00:00",""
"7228871","4.5363","0.0004","10.125","0.0008","34.375","0.003","90","","90","","90","","1578.8","0.2","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H13 N O S -","- C21 H13 N O S -","- C84 H52 N4 O4 S4 -","4","1","","Niu , Yahui; Xu, Longfei; Wang, Qin; Wu, Haoran; Zhang, Yanrong","Planar 2-(2-hydroxyphenyl)benzothiazole-based dyes functionalized via triple bonds as exceedingly efficient solid-state fluorophores","CrystEngComm","2017","","","","","10.1039/C7CE01108C","","","0.71073","MoKα","","0.068","0.0446","","","0.0649","0.0684","","","","","","1.076","","","","has coordinates","199654","2020-10-21","18:00:00",""
"7228872","13.5252","0.0008","9.646","0.0005","18.4119","0.0012","90","","110.747","0.007","90","","2246.3","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H38 Br2 Mn3 N4 O12 -","- C38 H38 Br2 Mn3 N4 O12 -","- C76 H76 Br4 Mn6 N8 O24 -","2","0.5","","Wei, Zhen; Zhang, Zong-Hui; Wang, Meng Meng; xu, ling; Liu, Bing; Jiao, Huan","Combination effect of ligand and ionic liquid components on the structure and property in manganese metal‒organic frameworks","CrystEngComm","2017","","","","","10.1039/C7CE01216K","","","0.71073","MoKα","","0.0609","0.044","","","0.1118","0.1242","","","","","","1.013","","","","has coordinates","199655","2020-10-21","18:00:00",""
"7228873","13.7103","0.0003","10.517","0.0002","16.7248","0.0004","90","","110.262","0.003","90","","2262.34","0.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H42 Br2 Mn3 N4 O12 -","- C40 H42 Br2 Mn3 N4 O12 -","- C80 H84 Br4 Mn6 N8 O24 -","2","0.5","","Wei, Zhen; Zhang, Zong-Hui; Wang, Meng Meng; xu, ling; Liu, Bing; Jiao, Huan","Combination effect of ligand and ionic liquid components on the structure and property in manganese metal‒organic frameworks","CrystEngComm","2017","","","","","10.1039/C7CE01216K","","","0.71073","MoKα","","0.0422","0.0315","","","0.0787","0.0848","","","","","","1.025","","","","has coordinates","199655","2020-10-21","18:00:00",""
"7228874","13.8296","0.0004","10.4308","0.0003","17.048","0.0008","90","","109.76","0.004","90","","2314.43","0.16","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H46 Br2 Mn3 N4 O12 -","- C42 H46 Br2 Mn3 N4 O12 -","- C84 H92 Br4 Mn6 N8 O24 -","2","0.5","","Wei, Zhen; Zhang, Zong-Hui; Wang, Meng Meng; xu, ling; Liu, Bing; Jiao, Huan","Combination effect of ligand and ionic liquid components on the structure and property in manganese metal‒organic frameworks","CrystEngComm","2017","","","","","10.1039/C7CE01216K","","","0.71073","MoKα","","0.0569","0.0371","","","0.0907","0.1001","","","","","","1.024","","","","has coordinates","199655","2020-10-21","18:00:00",""
"7228875","13.5591","0.0003","10.4987","0.0002","16.6622","0.0005","90","","110.43","0.003","90","","2222.72","0.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H42 Cl2 Mn3 N4 O12 -","- C40 H42 Cl2 Mn3 N4 O12 -","- C80 H84 Cl4 Mn6 N8 O24 -","2","0.5","","Wei, Zhen; Zhang, Zong-Hui; Wang, Meng Meng; xu, ling; Liu, Bing; Jiao, Huan","Combination effect of ligand and ionic liquid components on the structure and property in manganese metal‒organic frameworks","CrystEngComm","2017","","","","","10.1039/C7CE01216K","","","0.71073","MoKα","","0.0475","0.0378","","","0.1201","0.1275","","","","","","1.013","","","","has coordinates","199655","2020-10-21","18:00:00",""
"7228876","18.1886","0.001","21.2528","0.0009","16.2865","0.0007","90","","118.757","0.005","90","","5519.2","0.5","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C55 H45 Mn2 N6 O15 -","- C55 H45 Mn2 N6 O15 -","- C220 H180 Mn8 N24 O60 -","4","0.5","","Wei, Zhen; Zhang, Zong-Hui; Wang, Meng Meng; xu, ling; Liu, Bing; Jiao, Huan","Combination effect of ligand and ionic liquid components on the structure and property in manganese metal‒organic frameworks","CrystEngComm","2017","","","","","10.1039/C7CE01216K","","","0.71073","MoKα","","0.0985","0.0783","","","0.2078","0.2294","","","","","","1.027","","","","has coordinates,has disorder","199655","2020-10-21","18:00:00",""
"7228877","13.2885","0.0003","9.6523","0.0002","18.1669","0.0005","90","","109.574","0.003","90","","2195.51","0.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H38 Cl2 Mn3 N4 O12 -","- C38 H38 Cl2 Mn3 N4 O12 -","- C76 H76 Cl4 Mn6 N8 O24 -","2","0.5","","Wei, Zhen; Zhang, Zong-Hui; Wang, Meng Meng; xu, ling; Liu, Bing; Jiao, Huan","Combination effect of ligand and ionic liquid components on the structure and property in manganese metal‒organic frameworks","CrystEngComm","2017","","","","","10.1039/C7CE01216K","","","0.71073","MoKα","","0.0452","0.037","","","0.107","0.1129","","","","","","1.026","","","","has coordinates","199655","2020-10-21","18:00:00",""
"7228878","18.2308","0.0007","17.8579","0.0006","18.6949","0.0006","90","","95.948","0.001","90","","6053.6","0.4","153","2","152.99","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H54 Mn3 N4 O16 -","- C68 H54 Mn3 N4 O16 -","- C272 H216 Mn12 N16 O64 -","4","0.5","","Wei, Zhen; Zhang, Zong-Hui; Wang, Meng Meng; xu, ling; Liu, Bing; Jiao, Huan","Combination effect of ligand and ionic liquid components on the structure and property in manganese metal‒organic frameworks","CrystEngComm","2017","","","","","10.1039/C7CE01216K","","","0.71073","MoKα","","0.0877","0.0787","","","0.1995","0.2074","","","","","","1.069","","","","has coordinates","199655","2020-10-21","18:00:00",""
"7228879","18.2596","0.0009","21.4975","0.0008","16.3016","0.0006","90","","118.718","0.004","90","","5611.9","0.5","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C61 H26 Mn2 N6 O15 -","- C61 H26 Mn2 N6 O15 -","- C244 H104 Mn8 N24 O60 -","4","0.5","","Wei, Zhen; Zhang, Zong-Hui; Wang, Meng Meng; xu, ling; Liu, Bing; Jiao, Huan","Combination effect of ligand and ionic liquid components on the structure and property in manganese metal‒organic frameworks","CrystEngComm","2017","","","","","10.1039/C7CE01216K","","","0.71073","MoKα","","0.0731","0.0588","","","0.1596","0.1716","","","","","","1.088","","","","has coordinates","199655","2020-10-21","18:00:00",""
"7228880","18.1583","0.0012","21.2584","0.0012","16.2295","0.0008","90","","118.484","0.006","90","","5506.5","0.6","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C58 H24 Mn2 N6 O15 -","- C58 H24 Mn2 N6 O15 -","- C232 H96 Mn8 N24 O60 -","4","0.5","","Wei, Zhen; Zhang, Zong-Hui; Wang, Meng Meng; xu, ling; Liu, Bing; Jiao, Huan","Combination effect of ligand and ionic liquid components on the structure and property in manganese metal‒organic frameworks","CrystEngComm","2017","","","","","10.1039/C7CE01216K","","","0.71073","MoKα","","0.092","0.0614","","","0.1589","0.1872","","","","","","1.012","","","","has coordinates","199655","2020-10-21","18:00:00",""
"7228881","13.5482","0.0004","15.5614","0.0005","27.8886","0.0009","102.937","0.001","92.19","0.001","112.373","0.001","5249.2","0.3","153","2","153.01","","","","","","","","","5","P -1","-P 1","2","","","","- C209 H170 Mn9 N12 O54 -","- C209 H170 Mn9 N12 O54 -","- C209 H170 Mn9 N12 O54 -","1","0.5","","Wei, Zhen; Zhang, Zong-Hui; Wang, Meng Meng; xu, ling; Liu, Bing; Jiao, Huan","Combination effect of ligand and ionic liquid components on the structure and property in manganese metal‒organic frameworks","CrystEngComm","2017","","","","","10.1039/C7CE01216K","","","0.71073","MoKα","","0.0811","0.0721","","","0.1981","0.2103","","","","","","1.009","","","","has coordinates","199655","2020-10-21","18:00:00",""
"7228907","8.203","0.006","8.789","0.006","11.91","0.008","77.318","0.009","89.18","0.01","68.802","0.009","779","0.9","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H17 Cl Cu N2 O6 -","- C13 H17 Cl Cu N2 O6 -","- C26 H34 Cl2 Cu2 N4 O12 -","2","1","","Feng, Yan Fang; Tang, Qi; Luo, Kai Liang; Wu, Ji Qing; Zhang, Zhong; Liang, Yuning; Liang, Fu Pei","Controllable assembly of Cu(II) coordination compounds based on a flexible zwitterionic benzimidazole-dicarboxylate ligand: Synthesis, structural diversity, reversible SCSC transformation and magnetic properties","CrystEngComm","2017","","","","","10.1039/C7CE01215B","","","0.71073","MoKα","","0.0574","0.0508","","","0.1531","0.1584","","","","","","1.023","","","","has coordinates","199788","2020-10-21","18:00:00",""
"7228908","11.7389","0.0003","11.7389","0.0003","13.314","0.0006","90","","90","","90","","1834.69","0.11","296","2","296","2","","","","","","","","5","P 42/m","-P 4c","84","","","","- C26 H40 Cu2 N6 O21 -","- C26 H40 Cu2 N6 O21 -","- C52 H80 Cu4 N12 O42 -","2","0.25","","Feng, Yan Fang; Tang, Qi; Luo, Kai Liang; Wu, Ji Qing; Zhang, Zhong; Liang, Yuning; Liang, Fu Pei","Controllable assembly of Cu(II) coordination compounds based on a flexible zwitterionic benzimidazole-dicarboxylate ligand: Synthesis, structural diversity, reversible SCSC transformation and magnetic properties","CrystEngComm","2017","","","","","10.1039/C7CE01215B","","","0.71073","MoKα","","0.0827","0.0615","","","0.1713","0.186","","","","","","1.097","","","","has coordinates","199788","2020-10-21","18:00:00",""
"7228909","7.1515","0.0019","8.865","0.002","11.362","0.003","104.209","0.004","97.479","0.004","102.373","0.003","669.2","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H28 Cl2 Cu N4 O8 -","- C26 H28 Cl2 Cu N4 O8 -","- C26 H28 Cl2 Cu N4 O8 -","1","0.5","","Feng, Yan Fang; Tang, Qi; Luo, Kai Liang; Wu, Ji Qing; Zhang, Zhong; Liang, Yuning; Liang, Fu Pei","Controllable assembly of Cu(II) coordination compounds based on a flexible zwitterionic benzimidazole-dicarboxylate ligand: Synthesis, structural diversity, reversible SCSC transformation and magnetic properties","CrystEngComm","2017","","","","","10.1039/C7CE01215B","","","0.71073","MoKα","","0.0333","0.0322","","","0.0876","0.0882","","","","","","1.026","","","","has coordinates","199788","2020-10-21","18:00:00",""
"7228910","11.2462","0.0015","11.0776","0.0008","12.0983","0.0009","90","","91.357","0.01","90","","1506.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H29 Cu2 N7 O14 -","- C28 H29 Cu2 N7 O14 -","- C56 H58 Cu4 N14 O28 -","2","0.5","","Feng, Yan Fang; Tang, Qi; Luo, Kai Liang; Wu, Ji Qing; Zhang, Zhong; Liang, Yuning; Liang, Fu Pei","Controllable assembly of Cu(II) coordination compounds based on a flexible zwitterionic benzimidazole-dicarboxylate ligand: Synthesis, structural diversity, reversible SCSC transformation and magnetic properties","CrystEngComm","2017","","","","","10.1039/C7CE01215B","","","0.71073","MoKα","","0.1008","0.0555","","","0.0945","0.1089","","","","","","1.015","","","","has coordinates","199788","2020-10-21","18:00:00",""
"7228911","8.3896","0.0002","16.1281","0.0004","11.9938","0.0002","90","","99.673","0.002","90","","1599.79","0.06","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 Cl2 Cu2 N4 O18 -","- C26 H30 Cl2 Cu2 N4 O18 -","- C52 H60 Cl4 Cu4 N8 O36 -","2","0.5","","Feng, Yan Fang; Tang, Qi; Luo, Kai Liang; Wu, Ji Qing; Zhang, Zhong; Liang, Yuning; Liang, Fu Pei","Controllable assembly of Cu(II) coordination compounds based on a flexible zwitterionic benzimidazole-dicarboxylate ligand: Synthesis, structural diversity, reversible SCSC transformation and magnetic properties","CrystEngComm","2017","","","","","10.1039/C7CE01215B","","","0.71073","MoKα","","0.0473","0.0407","","","0.1319","0.1377","","","","","","1.034","","","","has coordinates","199788","2020-10-21","18:00:00",""
"7228912","9.059","0.005","14.377","0.009","14.816","0.009","64.669","0.01","84.588","0.01","86.721","0.01","1736","1.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H78 Cu4 N10 O36 -","- C52 H78 Cu4 N10 O36 -","- C52 H78 Cu4 N10 O36 -","1","0.5","","Feng, Yan Fang; Tang, Qi; Luo, Kai Liang; Wu, Ji Qing; Zhang, Zhong; Liang, Yuning; Liang, Fu Pei","Controllable assembly of Cu(II) coordination compounds based on a flexible zwitterionic benzimidazole-dicarboxylate ligand: Synthesis, structural diversity, reversible SCSC transformation and magnetic properties","CrystEngComm","2017","","","","","10.1039/C7CE01215B","","","0.71073","MoKα","","0.0846","0.0574","","","0.1615","0.1768","","","","","","1.021","","","","has coordinates","199788","2020-10-21","18:00:00",""
"7228913","7.198","0.0014","13.3019","0.0019","21.4837","0.0019","92.462","0.009","94.959","0.011","102.228","0.014","1998.8","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H52 Cu2 N4 O25 S -","- C26 H52 Cu2 N4 O25 S -","- C52 H104 Cu4 N8 O50 S2 -","2","1","","Feng, Yan Fang; Tang, Qi; Luo, Kai Liang; Wu, Ji Qing; Zhang, Zhong; Liang, Yuning; Liang, Fu Pei","Controllable assembly of Cu(II) coordination compounds based on a flexible zwitterionic benzimidazole-dicarboxylate ligand: Synthesis, structural diversity, reversible SCSC transformation and magnetic properties","CrystEngComm","2017","","","","","10.1039/C7CE01215B","","","0.71073","MoKα","","0.058","0.0429","","","0.1065","0.1163","","","","","","1.054","","","","has coordinates","199788","2020-10-21","18:00:00",""
"7228914","9.213","0.002","9.467","0.002","9.476","0.002","87.455","0.004","78.051","0.003","65.434","0.003","734.6","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H30 Cl2 Cu2 N4 O10 -","- C26 H30 Cl2 Cu2 N4 O10 -","- C26 H30 Cl2 Cu2 N4 O10 -","1","0.5","","Feng, Yan Fang; Tang, Qi; Luo, Kai Liang; Wu, Ji Qing; Zhang, Zhong; Liang, Yuning; Liang, Fu Pei","Controllable assembly of Cu(II) coordination compounds based on a flexible zwitterionic benzimidazole-dicarboxylate ligand: Synthesis, structural diversity, reversible SCSC transformation and magnetic properties","CrystEngComm","2017","","","","","10.1039/C7CE01215B","","","0.71073","MoKα","","0.0266","0.0254","","","0.0742","0.075","","","","","","1.061","","","","has coordinates","199788","2020-10-21","18:00:00",""
"7228915","6.4276","0.0011","10.5808","0.0018","11.242","0.002","93.317","0.002","93.708","0.002","91.807","0.002","761.2","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H15 Cu N3 O8 -","- C13 H15 Cu N3 O8 -","- C26 H30 Cu2 N6 O16 -","2","1","","Feng, Yan Fang; Tang, Qi; Luo, Kai Liang; Wu, Ji Qing; Zhang, Zhong; Liang, Yuning; Liang, Fu Pei","Controllable assembly of Cu(II) coordination compounds based on a flexible zwitterionic benzimidazole-dicarboxylate ligand: Synthesis, structural diversity, reversible SCSC transformation and magnetic properties","CrystEngComm","2017","","","","","10.1039/C7CE01215B","","","0.71073","MoKα","","0.0366","0.0341","","","0.0949","0.0965","","","","","","1.07","","","","has coordinates","199788","2020-10-21","18:00:00",""
"7228916","14.96763","0.00011","15.13591","0.00011","12.96566","0.0001","90","","98.955","0.0007","90","","2901.55","0.04","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N2,N6-bis(2-(2-nitrobenzamido)phenyl)pyridine-2,6-dicarboxamide","","","- C33 H23 N7 O8 -","- C33 H23 N7 O8 -","- C132 H92 N28 O32 -","4","1","","Helttunen, Kaisa; Annala, Riia; Suhonen, Aku; Nauha, Elisa; Linnanto, Juha; Nissinen, Maija","Supramolecular chirality and symmetry breaking of fluoride complexes of achiral foldamers","CrystEngComm","2017","","","","","10.1039/C7CE01109A","","x-ray","1.54184","CuKα","","0.0383","0.0341","","","0.0888","0.0924","","","","","","1.044","","","","has coordinates","199805","2020-10-21","18:00:00",""
"7228917","8.94745","0.00005","15.10359","0.00011","14.92421","0.00009","90","","106.155","0.0006","90","","1937.19","0.02","123","2","123","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","N2-(2-benzamidophenyl)-N6-phenylpyridine-2,6-dicarboxamide tetra-butyl ammonium fluoride complex","","","- C42 H56 F N5 O3 -","- C42 H56 F N5 O3 -","- C84 H112 F2 N10 O6 -","2","0.5","","Helttunen, Kaisa; Annala, Riia; Suhonen, Aku; Nauha, Elisa; Linnanto, Juha; Nissinen, Maija","Supramolecular chirality and symmetry breaking of fluoride complexes of achiral foldamers","CrystEngComm","2017","","","","","10.1039/C7CE01109A","","","1.54184","CuKα","","0.0398","0.0378","","","0.1005","0.1027","","","","","","1.004","","","","has coordinates,has disorder","199805","2020-10-21","18:00:00",""
"7228918","13.9902","0.0003","34.5843","0.001","21.6729","0.0005","90","","102.757","0.002","90","","10227.4","0.4","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","N1,N3-bis(2-benzamidophenyl)isophthalamide tetra-butyl ammonium fluoride complex","","","- C53 H69 F N6 O5 -","- C53 H69 F N6 O5 -","- C424 H552 F8 N48 O40 -","8","4","","Helttunen, Kaisa; Annala, Riia; Suhonen, Aku; Nauha, Elisa; Linnanto, Juha; Nissinen, Maija","Supramolecular chirality and symmetry breaking of fluoride complexes of achiral foldamers","CrystEngComm","2017","","","","","10.1039/C7CE01109A","","","1.54178","CuKα","","0.2572","0.117","","","0.2164","0.289","","","","","","1.038","","","","has coordinates","199805","2020-10-21","18:00:00",""
"7228919","7.4377","0.0004","7.7862","0.0004","11.4106","0.0008","75.345","0.006","77.944","0.006","65.998","0.006","579.81","0.07","123","2","123","2","","","","","","","","4","P -1","-P 1","2","N-(2-aminophenyl)-2-nitrobenzamide","","","- C13 H11 N3 O3 -","- C13 H11 N3 O3 -","- C26 H22 N6 O6 -","2","1","","Helttunen, Kaisa; Annala, Riia; Suhonen, Aku; Nauha, Elisa; Linnanto, Juha; Nissinen, Maija","Supramolecular chirality and symmetry breaking of fluoride complexes of achiral foldamers","CrystEngComm","2017","","","","","10.1039/C7CE01109A","","x-ray","1.54184","CuKα","","0.0478","0.0413","","","0.1119","0.1152","","","","","","1.02","","","","has coordinates","199805","2020-10-21","18:00:00",""
"7228920","19.61921","0.00015","8.74681","0.00005","27.9462","0.0002","90","","90","","90","","4795.72","0.06","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","N2,N6-bis(2-(2-nitrobenzamido)phenyl)pyridine-2,6-dicarboxamide tetra-butyl ammonium fluoride complex","","","- C49 H59 F N8 O8 -","- C49 H59 F N8 O8 -","- C196 H236 F4 N32 O32 -","4","1","","Helttunen, Kaisa; Annala, Riia; Suhonen, Aku; Nauha, Elisa; Linnanto, Juha; Nissinen, Maija","Supramolecular chirality and symmetry breaking of fluoride complexes of achiral foldamers","CrystEngComm","2017","","","","","10.1039/C7CE01109A","","","1.54184","CuKα","","0.0425","0.0418","","","0.121","0.1219","","","","","","1.06","","","","has coordinates,has disorder","199805","2020-10-21","18:00:00",""
"7228921","16.80152","0.00014","26.0097","0.0003","22.2194","0.0002","90","","108.608","0.001","90","","9202.31","0.16","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","N2-(2-benzamidophenyl)-N6-(2-(4-cyanobenzamido)phenyl)pyridine-2,6-dicarboxamide tetra-butyl ammonium fluoride complex","","","- C100 H120.4 F2 N14 O8.2 -","- C100 H120 F2 N14 O8.2 -","- C400 H480 F8 N56 O32.8 -","4","1","","Helttunen, Kaisa; Annala, Riia; Suhonen, Aku; Nauha, Elisa; Linnanto, Juha; Nissinen, Maija","Supramolecular chirality and symmetry breaking of fluoride complexes of achiral foldamers","CrystEngComm","2017","","","","","10.1039/C7CE01109A","","x-ray","1.54184","CuKα","","0.0774","0.0686","","","0.1747","0.1804","","","","","","1.096","","","","has coordinates,has disorder","199805","2020-10-21","18:00:00",""
"7228922","11.16653","0.00006","16.03601","0.0001","24.54325","0.00015","90","","90","","90","","4394.88","0.05","123.01","0.1","123.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","N2,N6-bis(2-benzamidophenyl)pyridine-2,6-dicarboxamide tetra-butyl ammonium fluoride complex","","","- C49 H61 F N6 O4 -","- C49 H61 F N6 O4 -","- C196 H244 F4 N24 O16 -","4","1","","Helttunen, Kaisa; Annala, Riia; Suhonen, Aku; Nauha, Elisa; Linnanto, Juha; Nissinen, Maija","Supramolecular chirality and symmetry breaking of fluoride complexes of achiral foldamers","CrystEngComm","2017","","","","","10.1039/C7CE01109A","","","1.54184","CuKα","","0.033","0.032","","","0.084","0.085","","","","","","1.02","","","","has coordinates","199805","2020-10-21","18:00:00",""
"7228923","19.7472","0.0009","11.8235","0.0006","16.8496","0.0006","90","","92.177","0.004","90","","3931.2","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N2-(2-aminophenyl)-N6-(2-benzamidophenyl)pyridine-2,6-dicarboxamide tetra-butyl ammonium fluoride complex","","","- C42 H57 F N6 O3 -","- C42 H57 F N6 O3 -","- C168 H228 F4 N24 O12 -","4","1","","Helttunen, Kaisa; Annala, Riia; Suhonen, Aku; Nauha, Elisa; Linnanto, Juha; Nissinen, Maija","Supramolecular chirality and symmetry breaking of fluoride complexes of achiral foldamers","CrystEngComm","2017","","","","","10.1039/C7CE01109A","","","1.54184","CuKα","","0.0684","0.0514","","","0.1332","0.1469","","","","","","1.024","","","","has coordinates","199805","2020-10-21","18:00:00",""
"7228930","7.92","0.003","7.92","0.003","19.588","0.004","90","","90","","90","","1228.7","0.7","170","","170","","","","","","","","","4","I 41/a m d","-I 4bd 2","141","","","","- C6 H7 N O -","- C6 H7 N O -","- C48 H56 N8 O8 -","8","","","Topić, Filip; Puttreddy, Rakesh; Rautiainen, J. Mikko; Tuononen, Heikki M.; Rissanen, Kari","Tridentate C‒I⋯O−‒N+ halogen bonds","CrystEngComm","2017","","","","","10.1039/C7CE01381G","","","0.71073","MoKα","","0.1579","0.0571","","","0.1212","0.1644","","","","","","1.007","","","","has coordinates,has disorder","199831","2020-10-21","18:00:00",""
"7228931","12.6238","0.0003","11.3737","0.0003","21.9526","0.0004","90","","105.404","0.0015","90","","3038.72","0.12","170","0.1","170","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32.4 H26 F28.8 I7.2 N2 O2 -","- C32.3984 H26 F28.7968 I7.1992 N2 O2 -","- C64.7968 H52 F57.5936 I14.3984 N4 O4 -","2","0.5","","Topić, Filip; Puttreddy, Rakesh; Rautiainen, J. Mikko; Tuononen, Heikki M.; Rissanen, Kari","Tridentate C‒I⋯O−‒N+ halogen bonds","CrystEngComm","2017","","","","","10.1039/C7CE01381G","","","0.71073","MoKα","","0.0711","0.0581","","","0.1622","0.1726","","","","","","1.045","","","","has coordinates,has disorder","199831","2020-10-21","18:00:00",""
"7228932","15.826","0.001","19.3955","0.0008","13.3936","0.0006","90","","90.345","0.005","90","","4111.1","0.4","123","0.1","123","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 F8 I4 N O -","- C11 H9 F8 I4 N O -","- C88 H72 F64 I32 N8 O8 -","8","2","","Topić, Filip; Puttreddy, Rakesh; Rautiainen, J. Mikko; Tuononen, Heikki M.; Rissanen, Kari","Tridentate C‒I⋯O−‒N+ halogen bonds","CrystEngComm","2017","","","","","10.1039/C7CE01381G","","x-ray","0.71073","MoKα","","0.0478","0.0394","","","0.0925","0.1025","","","","","","1.085","","","","has coordinates,has disorder","199831","2020-10-21","18:00:00",""
"7228933","20.8752","0.0005","11.2667","0.0002","28.8275","0.0007","90","","108.327","0.003","90","","6436.2","0.3","123","0.1","123","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H27 F40 I10 N3 O3 -","- C29 H27 F40 I10 N3 O3 -","- C116 H108 F160 I40 N12 O12 -","4","1","","Topić, Filip; Puttreddy, Rakesh; Rautiainen, J. Mikko; Tuononen, Heikki M.; Rissanen, Kari","Tridentate C‒I⋯O−‒N+ halogen bonds","CrystEngComm","2017","","","","","10.1039/C7CE01381G","","x-ray","0.71073","MoKα","","0.0336","0.0274","","","0.0503","0.0522","","","","","","1.123","","","","has coordinates,has disorder","199831","2020-10-21","18:00:00",""
"7228934","16.0396","0.0005","18.4264","0.0004","20.1968","0.0006","90","","90","","90","","5969.2","0.3","123","0.1","123","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H7 F8 I4 N O -","- C10 H7 F8 I4 N O -","- C120 H84 F96 I48 N12 O12 -","12","3","","Topić, Filip; Puttreddy, Rakesh; Rautiainen, J. Mikko; Tuononen, Heikki M.; Rissanen, Kari","Tridentate C‒I⋯O−‒N+ halogen bonds","CrystEngComm","2017","","","","","10.1039/C7CE01381G","","x-ray","0.71073","MoKα","","0.0795","0.0576","","","0.1068","0.1187","","","","","","1.168","","","","has coordinates,has disorder","199831","2020-10-21","18:00:00",""
"7228935","22.377","0.004","12.44","0.002","26.896","0.007","90","","111.367","0.003","90","","6972","2","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H88 Cl Ho N26 O38 -","- C44 H48 Cl Ho N26 O28 -","- C176 H192 Cl4 Ho4 N104 O112 -","4","0.5","","Shen, Fang-Fang; Chen, Kai; Hua, Zi-Yi; Wang, Yuan; Xu, Jing; Chen, Mindong; Zhang, Yun-Qian; Tao, Zhu","Adducts of aqua complexes of Ln3+ with a di-hydroxylated symmetrical octamethyl-substituted cucurbituril: potential applications for isolation of heavier lanthanides","CrystEngComm","2017","","","","","10.1039/C7CE01365E","","","0.71073","MoKα","","0.0659","0.0592","","","0.1528","0.1577","","","","","","1.06","","","","has coordinates,has disorder","199843","2020-10-21","18:00:00",""
"7228936","22.215","0.005","12.391","0.005","14.675","0.005","90","","108.468","0.005","90","","3831","2","223","2","223","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C44 H88 Cl3 N24 O32 Tb -","- C44 H52 Cl3 N24 O22 Tb -","- C88 H104 Cl6 N48 O44 Tb2 -","2","0.25","","Shen, Fang-Fang; Chen, Kai; Hua, Zi-Yi; Wang, Yuan; Xu, Jing; Chen, Mindong; Zhang, Yun-Qian; Tao, Zhu","Adducts of aqua complexes of Ln3+ with a di-hydroxylated symmetrical octamethyl-substituted cucurbituril: potential applications for isolation of heavier lanthanides","CrystEngComm","2017","","","","","10.1039/C7CE01365E","","","0.71069","MoKα","","0.0515","0.0504","","","0.146","0.1479","","","","","","1.133","","","","has coordinates,has disorder","199843","2020-10-21","18:00:00",""
"7228937","22.19","0.002","12.2997","0.0012","14.6385","0.0015","90","","108.175","0.003","90","","3796","0.6","223","2","223","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C44 H90 Cl3 Dy N24 O33 -","- C44 H50 Cl3 Dy N24 O22 -","- C88 H100 Cl6 Dy2 N48 O44 -","2","0.25","","Shen, Fang-Fang; Chen, Kai; Hua, Zi-Yi; Wang, Yuan; Xu, Jing; Chen, Mindong; Zhang, Yun-Qian; Tao, Zhu","Adducts of aqua complexes of Ln3+ with a di-hydroxylated symmetrical octamethyl-substituted cucurbituril: potential applications for isolation of heavier lanthanides","CrystEngComm","2017","","","","","10.1039/C7CE01365E","","","0.71073","MoKα","","0.0491","0.0466","","","0.136","0.1391","","","","","","1.095","","","","has coordinates,has disorder","199843","2020-10-21","18:00:00",""
"7228938","22.377","0.011","12.519","0.006","14.991","0.007","90","","108.19","0.01","90","","3990","3","223","2","223","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C44 H104 Cl3 Eu N24 O40 -","- C44 H54 Cl3 Eu N24 O22 -","- C88 H108 Cl6 Eu2 N48 O44 -","2","0.25","","Shen, Fang-Fang; Chen, Kai; Hua, Zi-Yi; Wang, Yuan; Xu, Jing; Chen, Mindong; Zhang, Yun-Qian; Tao, Zhu","Adducts of aqua complexes of Ln3+ with a di-hydroxylated symmetrical octamethyl-substituted cucurbituril: potential applications for isolation of heavier lanthanides","CrystEngComm","2017","","","","","10.1039/C7CE01365E","","","0.71073","MoKα","","0.0654","0.0559","","","0.1418","0.1484","","","","","","1.042","","","","has coordinates,has disorder","199843","2020-10-21","18:00:00",""
"7228939","22.2","0.02","12.287","0.013","26.75","0.03","90","","111.489","0.017","90","","6789","12","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H86 Cl Lu N26 O37 -","- C44 H48 Cl Lu N26 O28 -","- C176 H192 Cl4 Lu4 N104 O112 -","4","0.5","","Shen, Fang-Fang; Chen, Kai; Hua, Zi-Yi; Wang, Yuan; Xu, Jing; Chen, Mindong; Zhang, Yun-Qian; Tao, Zhu","Adducts of aqua complexes of Ln3+ with a di-hydroxylated symmetrical octamethyl-substituted cucurbituril: potential applications for isolation of heavier lanthanides","CrystEngComm","2017","","","","","10.1039/C7CE01365E","","","0.71073","MoKα","","0.0665","0.051","","","0.1347","0.1445","","","","","","1.027","","","","has coordinates,has disorder","199843","2020-10-21","18:00:00",""
"7228940","22.267","0.002","12.3118","0.0011","14.6937","0.0014","90","","108.292","0.003","90","","3824.7","0.6","223","2","223","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C44 H106 Cl3 N24 O41 Tm -","- C44 H52 Cl3 N24 O22 Tm -","- C88 H104 Cl6 N48 O44 Tm2 -","2","0.25","","Shen, Fang-Fang; Chen, Kai; Hua, Zi-Yi; Wang, Yuan; Xu, Jing; Chen, Mindong; Zhang, Yun-Qian; Tao, Zhu","Adducts of aqua complexes of Ln3+ with a di-hydroxylated symmetrical octamethyl-substituted cucurbituril: potential applications for isolation of heavier lanthanides","CrystEngComm","2017","","","","","10.1039/C7CE01365E","","","0.71073","MoKα","","0.0556","0.0509","","","0.127","0.1304","","","","","","1.081","","","","has coordinates,has disorder","199843","2020-10-21","18:00:00",""
"7228941","22.449","0.018","12.43","0.01","26.83","0.02","90","","112.018","0.011","90","","6941","9","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H82 Cl Er N26 O35 -","- C44 H48 Cl Er N26 O28 -","- C176 H192 Cl4 Er4 N104 O112 -","4","0.5","","Shen, Fang-Fang; Chen, Kai; Hua, Zi-Yi; Wang, Yuan; Xu, Jing; Chen, Mindong; Zhang, Yun-Qian; Tao, Zhu","Adducts of aqua complexes of Ln3+ with a di-hydroxylated symmetrical octamethyl-substituted cucurbituril: potential applications for isolation of heavier lanthanides","CrystEngComm","2017","","","","","10.1039/C7CE01365E","","","0.71073","MoKα","","0.0615","0.0563","","","0.1735","0.1842","","","","","","1.123","","","","has coordinates,has disorder","199843","2020-10-21","18:00:00",""
"7228942","22.245","0.003","12.3258","0.0013","14.7424","0.0019","90","","108.334","0.004","90","","3837","0.8","296","2","296","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C44 H106 Cl3 N24 O41 Yb -","- C44 H52 Cl3 N24 O22 Yb -","- C88 H104 Cl6 N48 O44 Yb2 -","2","0.25","","Shen, Fang-Fang; Chen, Kai; Hua, Zi-Yi; Wang, Yuan; Xu, Jing; Chen, Mindong; Zhang, Yun-Qian; Tao, Zhu","Adducts of aqua complexes of Ln3+ with a di-hydroxylated symmetrical octamethyl-substituted cucurbituril: potential applications for isolation of heavier lanthanides","CrystEngComm","2017","","","","","10.1039/C7CE01365E","","","0.71073","MoKα","","0.0763","0.0576","","","0.133","0.1401","","","","","","1.032","","","","has coordinates,has disorder","199843","2020-10-21","18:00:00",""
"7228943","22.316","0.005","12.427","0.003","26.976","0.006","90","","112.573","0.005","90","","6908","3","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H84 Cl Gd N26 O36 -","- C44 H48 Cl Gd N26 O28 -","- C176 H192 Cl4 Gd4 N104 O112 -","4","0.5","","Shen, Fang-Fang; Chen, Kai; Hua, Zi-Yi; Wang, Yuan; Xu, Jing; Chen, Mindong; Zhang, Yun-Qian; Tao, Zhu","Adducts of aqua complexes of Ln3+ with a di-hydroxylated symmetrical octamethyl-substituted cucurbituril: potential applications for isolation of heavier lanthanides","CrystEngComm","2017","","","","","10.1039/C7CE01365E","","","0.71073","MoKα","","0.1145","0.0983","","","0.2462","0.2541","","","","","","1.125","","","","has coordinates,has disorder","199843","2020-10-21","18:00:00",""
"7228946","11.706","0.003","24.308","0.007","31.08","0.009","90","","95.568","0.005","90","","8802","4","296","2","296","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C9 H46 As2 Cu3 N6 O70 W17 -","- C9 H45 As2 Cu3 N6 O70 W17 -","- C36 H180 As8 Cu12 N24 O280 W68 -","4","1","","Liu, Lu; Wang, Bo; Lv, Jinghua; Yu, Kai; Wang, Lu; Zhang, He; Wang, Shuo; Zhou, Baibin","One-step synthesis two Wells‒Dawson arsenotungstate hybrids via M-O-M bridges for efficient adsorption and selective separation of organic pollutants","CrystEngComm","2017","","","","","10.1039/C7CE01307H","","","0.71073","MoKα","","0.0814","0.0725","","","0.1162","0.1253","","","","","","1.02","","","","has coordinates","199867","2020-10-21","18:00:00",""
"7228947","11.6435","0.0014","13.3208","0.0015","28.381","0.003","90.517","0.002","96.148","0.002","112.141","0.002","4048","0.8","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H64 As2 Cu3 N12 O69 W18 -","- C12 H64 As2 Cu3 N12 O69 W18 -","- C24 H128 As4 Cu6 N24 O138 W36 -","2","1","","Liu, Lu; Wang, Bo; Lv, Jinghua; Yu, Kai; Wang, Lu; Zhang, He; Wang, Shuo; Zhou, Baibin","One-step synthesis two Wells‒Dawson arsenotungstate hybrids via M-O-M bridges for efficient adsorption and selective separation of organic pollutants","CrystEngComm","2017","","","","","10.1039/C7CE01307H","","","0.71073","MoKα","","0.0903","0.0791","","","0.1075","0.1134","","","","","","1.069","","","","has coordinates","199867","2020-10-21","18:00:00",""
"7228948","25.9705","0.0011","8.7538","0.0005","45.267","0.003","90","","104.053","0.005","90","","9983","1","298","2","298","2","","","","","","","","6","I 2/c 1 1","-I 2yc","15","","","","- C40 H50 Cl F12 N5 O3 -","- C40 H50 Cl F12 N5 O3 -","- C320 H400 Cl8 F96 N40 O24 -","8","1","","Manna, Utsab; Das, Gopal","Anion Binding Consistency by influence of Aromatic meta-disubstitution of a Simple Urea Receptor: Regular Entrapment of Hydrated Halide and Oxyanion clusters","CrystEngComm","2017","","","","","10.1039/C7CE01155E","","","0.71073","MoKα","","0.1665","0.0969","","","0.2723","0.3049","","","","","","1.186","","","","has coordinates,has disorder","199883","2020-10-21","18:00:00",""
"7228949","19.5913","0.0019","22.1973","0.0014","16.0329","0.0014","90","","102.823","0.009","90","","6798.4","1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H88 F12 N6 O8 -","- C58 H88 F12 N6 O8 -","- C232 H352 F48 N24 O32 -","4","1","","Manna, Utsab; Das, Gopal","Anion Binding Consistency by influence of Aromatic meta-disubstitution of a Simple Urea Receptor: Regular Entrapment of Hydrated Halide and Oxyanion clusters","CrystEngComm","2017","","","","","10.1039/C7CE01155E","","","0.71073","MoKα","","0.298","0.1262","","","0.2939","0.3616","","","","","","1.171","","","","has coordinates","199883","2020-10-21","18:00:00",""
"7228950","16.6244","0.0008","21.5012","0.0008","20.832","0.0009","90","","111.626","0.005","90","","6922.1","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57 H49 F24 N11 O7 -","- C57 H49 F24 N11 O7 -","- C228 H196 F96 N44 O28 -","4","1","","Manna, Utsab; Das, Gopal","Anion Binding Consistency by influence of Aromatic meta-disubstitution of a Simple Urea Receptor: Regular Entrapment of Hydrated Halide and Oxyanion clusters","CrystEngComm","2017","","","","","10.1039/C7CE01155E","","","0.71073","MoKα","","0.2039","0.1122","","","0.3241","0.3654","","","","","","1.171","","","","has coordinates,has disorder","199883","2020-10-21","18:00:00",""
"7228951","17.9692","0.0015","20.9828","0.0014","9.5322","0.001","90","","104.706","0.009","90","","3476.3","0.5","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 F12 N4 O4 S2 -","- C28 H26 F12 N4 O4 S2 -","- C112 H104 F48 N16 O16 S8 -","4","1","","Manna, Utsab; Das, Gopal","Anion Binding Consistency by influence of Aromatic meta-disubstitution of a Simple Urea Receptor: Regular Entrapment of Hydrated Halide and Oxyanion clusters","CrystEngComm","2017","","","","","10.1039/C7CE01155E","","","0.71073","MoKα","","0.1866","0.0957","","","0.2466","0.3055","","","","","","1.171","","","","has coordinates,has disorder","199883","2020-10-21","18:00:00",""
"7228952","22.4903","0.0008","22.6667","0.0007","31.1019","0.0013","90","","96.97","0.003","90","","15738","1","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C136 H186 F36 N16 O16 S2 -","- C136 H186 F36 N16 O16 S2 -","- C544 H744 F144 N64 O64 S8 -","4","1","","Manna, Utsab; Das, Gopal","Anion Binding Consistency by influence of Aromatic meta-disubstitution of a Simple Urea Receptor: Regular Entrapment of Hydrated Halide and Oxyanion clusters","CrystEngComm","2017","","","","","10.1039/C7CE01155E","","","0.71073","MoKα","","0.288","0.1072","","","0.2547","0.3371","","","","","","1.04","","","","has coordinates","199883","2020-10-21","18:00:00",""
"7228953","13.4502","0.0011","8.6269","0.0015","20.472","0.002","90","","94.73","0.008","90","","2367.3","0.5","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H53 F12 N5 O5 -","- C42 H53 F12 N5 O5 -","- C84 H106 F24 N10 O10 -","2","1","","Manna, Utsab; Das, Gopal","Anion Binding Consistency by influence of Aromatic meta-disubstitution of a Simple Urea Receptor: Regular Entrapment of Hydrated Halide and Oxyanion clusters","CrystEngComm","2017","","","","","10.1039/C7CE01155E","","","0.71073","MoKα","","0.2019","0.1119","","","0.2513","0.2878","","","","","","1.177","","","","has coordinates","199883","2020-10-21","18:00:00",""
"7228954","23.096","0.004","17.557","0.003","9.015","0.0017","90","","112.545","0.004","90","","3376.2","1","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H34.28 N10 O8 -","- C30 H34.224 N10 O8 -","- C120 H136.896 N40 O32 -","4","0.5","","Maly, Kenneth E.; Buck, William; Dawe, Louise N.","Open network structures from 2D hydrogen bonded networks: diaminotriazyl tetraoxapentacenes","CrystEngComm","2017","","","","","10.1039/C7CE01247K","","","1.54184","CuKα","","0.0761","0.0722","","","0.2167","0.2211","","","","","","1.084","","","","has coordinates,has disorder","199884","2020-10-21","18:00:00",""
"7228955","10.955","0.002","9.0316","0.0015","18.918","0.004","90","","96.863","0.009","90","","1858.4","0.6","123","2","122.98","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 N10 O4 -","- C24 H16 N10 O4 -","- C48 H32 N20 O8 -","2","0.5","","Maly, Kenneth E.; Buck, William; Dawe, Louise N.","Open network structures from 2D hydrogen bonded networks: diaminotriazyl tetraoxapentacenes","CrystEngComm","2017","","","","","10.1039/C7CE01247K","","","0.71073","MoKα","","0.0815","0.0759","","","0.2194","0.226","","","","","","1.116","","","","has coordinates,has disorder","199884","2020-10-21","18:00:00",""
"7228956","10.953","0.003","9.0278","0.0018","20.734","0.005","90","","103.539","0.009","90","","1993.2","0.8","123","2","123.03","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 N5 O5 S2 -","- C16 H22 N5 O5 S2 -","- C64 H88 N20 O20 S8 -","4","1","","Maly, Kenneth E.; Buck, William; Dawe, Louise N.","Open network structures from 2D hydrogen bonded networks: diaminotriazyl tetraoxapentacenes","CrystEngComm","2017","","","","","10.1039/C7CE01247K","","","0.71073","MoKα","","0.0664","0.0463","","","0.1292","0.1407","","","","","","1.026","","","","has coordinates","199884","2020-10-21","18:00:00",""
"7228965","12.0926","0.0005","25.9263","0.001","9.6761","0.0004","90","","98.343","0.001","90","","3001.5","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H45.59 La2 N6 O14.79 S6 -","- C60 H45.588 La2 N6 O14.794 S6 -","- C120 H91.176 La4 N12 O29.588 S12 -","2","0.5","","Batrice, Rami J.; Ridenour, J. August; Ayscue III, R. Lee; Bertke, Jeffery A.; Knope, Karah E.","Synthesis, structure, and photoluminescent behaviour of molecular lanthanide‒2-thiophenecarboxylate‒2,2′:6′,2′′-terpyridine materials","CrystEngComm","2017","","","","","10.1039/C7CE01192J","","","0.71073","MoKα","","0.0322","0.0246","","","0.0453","0.0469","","","","","","1.089","","","","has coordinates,has disorder","199914","2020-10-21","18:00:00",""
"7228966","8.407","0.0004","20.3347","0.0009","17.5788","0.0008","90","","98.1531","0.0016","90","","2974.8","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 N3 O7 S3 Tm -","- C30 H22 N3 O7 S3 Tm -","- C120 H88 N12 O28 S12 Tm4 -","4","1","","Batrice, Rami J.; Ridenour, J. August; Ayscue III, R. Lee; Bertke, Jeffery A.; Knope, Karah E.","Synthesis, structure, and photoluminescent behaviour of molecular lanthanide‒2-thiophenecarboxylate‒2,2′:6′,2′′-terpyridine materials","CrystEngComm","2017","","","","","10.1039/C7CE01192J","","","0.71073","MoKα","","0.0292","0.0202","","","0.0373","0.0392","","","","","","1.029","","","","has coordinates,has disorder","199914","2020-10-21","18:00:00",""
"7228967","11.988","0.0005","25.6332","0.0011","9.6899","0.0004","90","","98.071","0.001","90","","2948.1","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H44 N6 Nd2 O14.63 S6 -","- C60 H44 N6 Nd2 O14.634 S6 -","- C120 H88 N12 Nd4 O29.268 S12 -","2","0.5","","Batrice, Rami J.; Ridenour, J. August; Ayscue III, R. Lee; Bertke, Jeffery A.; Knope, Karah E.","Synthesis, structure, and photoluminescent behaviour of molecular lanthanide‒2-thiophenecarboxylate‒2,2′:6′,2′′-terpyridine materials","CrystEngComm","2017","","","","","10.1039/C7CE01192J","","","0.71073","MoKα","","0.0523","0.0309","","","0.0524","0.057","","","","","","1.001","","","","has coordinates,has disorder","199914","2020-10-21","18:00:00",""
"7228968","11.9398","0.0004","25.4924","0.0011","9.7089","0.0004","90","","97.983","0.001","90","","2926.5","0.2","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H44.84 N6 O14.42 S6 Sm2 -","- C60 H44.844 N6 O14.422 S6 Sm2 -","- C120 H89.688 N12 O28.844 S12 Sm4 -","2","0.5","","Batrice, Rami J.; Ridenour, J. August; Ayscue III, R. Lee; Bertke, Jeffery A.; Knope, Karah E.","Synthesis, structure, and photoluminescent behaviour of molecular lanthanide‒2-thiophenecarboxylate‒2,2′:6′,2′′-terpyridine materials","CrystEngComm","2017","","","","","10.1039/C7CE01192J","","","0.71073","MoKα","","0.0384","0.0258","","","0.0439","0.0463","","","","","","1.051","","","","has coordinates,has disorder","199914","2020-10-21","18:00:00",""
"7228969","12.025","0.0006","25.737","0.0011","9.6972","0.0004","90","","98.165","0.002","90","","2970.7","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H45.28 N6 O14.64 Pr2 S6 -","- C60 H45.284 N6 O14.642 Pr2 S6 -","- C120 H90.568 N12 O29.284 Pr4 S12 -","2","0.5","","Batrice, Rami J.; Ridenour, J. August; Ayscue III, R. Lee; Bertke, Jeffery A.; Knope, Karah E.","Synthesis, structure, and photoluminescent behaviour of molecular lanthanide‒2-thiophenecarboxylate‒2,2′:6′,2′′-terpyridine materials","CrystEngComm","2017","","","","","10.1039/C7CE01192J","","","0.71073","MoKα","","0.0348","0.0262","","","0.0471","0.049","","","","","","1.093","","","","has coordinates,has disorder","199914","2020-10-21","18:00:00",""
"7228970","16.5155","0.0008","10.1553","0.0005","17.0664","0.0008","90","","92.993","0.002","90","","2858.5","0.2","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H22 Er N3 O7 S3 -","- C30 H22 Er N3 O7 S3 -","- C120 H88 Er4 N12 O28 S12 -","4","1","","Batrice, Rami J.; Ridenour, J. August; Ayscue III, R. Lee; Bertke, Jeffery A.; Knope, Karah E.","Synthesis, structure, and photoluminescent behaviour of molecular lanthanide‒2-thiophenecarboxylate‒2,2′:6′,2′′-terpyridine materials","CrystEngComm","2017","","","","","10.1039/C7CE01192J","","","0.71073","MoKα","","0.0272","0.0241","","","0.0539","0.0548","","","","","","1.186","","","","has coordinates,has disorder","199914","2020-10-21","18:00:00",""
"7228971","8.4315","0.0005","20.2753","0.0012","17.5412","0.0011","90","","98.219","0.002","90","","2967.9","0.3","100","2","100.01","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 Lu N3 O7 S3 -","- C30 H22 Lu N3 O7 S3 -","- C120 H88 Lu4 N12 O28 S12 -","4","1","","Batrice, Rami J.; Ridenour, J. August; Ayscue III, R. Lee; Bertke, Jeffery A.; Knope, Karah E.","Synthesis, structure, and photoluminescent behaviour of molecular lanthanide‒2-thiophenecarboxylate‒2,2′:6′,2′′-terpyridine materials","CrystEngComm","2017","","","","","10.1039/C7CE01192J","","","0.71073","MoKα","","0.0247","0.0208","","","0.0412","0.042","","","","","","1.155","","","","has coordinates,has disorder","199914","2020-10-21","18:00:00",""
"7228972","8.4238","0.0004","20.2807","0.0009","17.5653","0.0008","90","","98.119","0.002","90","","2970.8","0.2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Yb Monomer","","- C30 H22 N3 O7 S3 Yb -","- C30 H22 N3 O7 S3 Yb -","- C120 H88 N12 O28 S12 Yb4 -","4","1","","Batrice, Rami J.; Ridenour, J. August; Ayscue III, R. Lee; Bertke, Jeffery A.; Knope, Karah E.","Synthesis, structure, and photoluminescent behaviour of molecular lanthanide‒2-thiophenecarboxylate‒2,2′:6′,2′′-terpyridine materials","CrystEngComm","2017","","","","","10.1039/C7CE01192J","","","0.71073","MoKα","","0.0442","0.0287","","","0.0519","0.0553","","","","","","1.02","","","","has coordinates,has disorder","199914","2020-10-21","18:00:00",""
"7228973","11.8674","0.0006","25.2352","0.0012","9.728","0.0005","90","","97.574","0.002","90","","2887.9","0.2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H44.63 Ho2 N6 O14.32 S6 -","- C60 H44.632 Ho2 N6 O14.316 S6 -","- C120 H89.264 Ho4 N12 O28.632 S12 -","2","0.5","","Batrice, Rami J.; Ridenour, J. August; Ayscue III, R. Lee; Bertke, Jeffery A.; Knope, Karah E.","Synthesis, structure, and photoluminescent behaviour of molecular lanthanide‒2-thiophenecarboxylate‒2,2′:6′,2′′-terpyridine materials","CrystEngComm","2017","","","","","10.1039/C7CE01192J","","","0.71073","MoKα","","0.0306","0.0248","","","0.0465","0.0477","","","","","","1.143","","","","has coordinates,has disorder","199914","2020-10-21","18:00:00",""
"7228974","11.8744","0.0006","25.2718","0.0012","9.7179","0.0005","90","","97.716","0.002","90","","2889.8","0.2","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H44.59 Dy2 N6 O14.3 S6 -","- C60 H44.592 Dy2 N6 O14.296 S6 -","- C120 H89.184 Dy4 N12 O28.592 S12 -","2","0.5","","Batrice, Rami J.; Ridenour, J. August; Ayscue III, R. Lee; Bertke, Jeffery A.; Knope, Karah E.","Synthesis, structure, and photoluminescent behaviour of molecular lanthanide‒2-thiophenecarboxylate‒2,2′:6′,2′′-terpyridine materials","CrystEngComm","2017","","","","","10.1039/C7CE01192J","","","0.71073","MoKα","","0.0326","0.0244","","","0.0434","0.0451","","","","","","1.078","","","","has coordinates,has disorder","199914","2020-10-21","18:00:00",""
"7228975","11.9277","0.0005","25.4424","0.001","9.7246","0.0005","90","","97.836","0.002","90","","2923.6","0.2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","RJB389","","- C60 H44.86 Eu2 N6 O14.43 S6 -","- C60 H44.86 Eu2 N6 O14.43 S6 -","- C120 H89.72 Eu4 N12 O28.86 S12 -","2","0.5","","Batrice, Rami J.; Ridenour, J. August; Ayscue III, R. Lee; Bertke, Jeffery A.; Knope, Karah E.","Synthesis, structure, and photoluminescent behaviour of molecular lanthanide‒2-thiophenecarboxylate‒2,2′:6′,2′′-terpyridine materials","CrystEngComm","2017","","","","","10.1039/C7CE01192J","","","0.71073","MoKα","","0.026","0.0213","","","0.0428","0.0439","","","","","","1.102","","","","has coordinates,has disorder","199914","2020-10-21","18:00:00",""
"7228976","12.045","0.0006","25.8165","0.0012","9.6836","0.0004","90","","98.27","0.001","90","","2979.9","0.2","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H45.39 Ce2 N6 O14.69 S6 -","- C60 H45.396 Ce2 N6 O14.698 S6 -","- C120 H90.792 Ce4 N12 O29.396 S12 -","2","0.5","","Batrice, Rami J.; Ridenour, J. August; Ayscue III, R. Lee; Bertke, Jeffery A.; Knope, Karah E.","Synthesis, structure, and photoluminescent behaviour of molecular lanthanide‒2-thiophenecarboxylate‒2,2′:6′,2′′-terpyridine materials","CrystEngComm","2017","","","","","10.1039/C7CE01192J","","","0.71073","MoKα","","0.0332","0.0254","","","0.0472","0.0489","","","","","","1.094","","","","has coordinates,has disorder","199914","2020-10-21","18:00:00",""
"7228977","25.5787","0.0018","12.0144","0.0008","40.596","0.003","90","","106.38","0.002","90","","11969.3","1.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H44 Ho2 N6 O14 S6 -","- C60 H44 Ho2 N6 O14 S6 -","- C480 H352 Ho16 N48 O112 S48 -","8","1","","Batrice, Rami J.; Ridenour, J. August; Ayscue III, R. Lee; Bertke, Jeffery A.; Knope, Karah E.","Synthesis, structure, and photoluminescent behaviour of molecular lanthanide‒2-thiophenecarboxylate‒2,2′:6′,2′′-terpyridine materials","CrystEngComm","2017","","","","","10.1039/C7CE01192J","","","0.71073","MoKα","","0.0383","0.0328","","","0.0486","0.0491","","","","","","1.868","","","","has coordinates,has disorder","199914","2020-10-21","18:00:00",""
"7228978","11.8918","0.0008","25.3435","0.0017","9.7176","0.0006","90","","97.76","0.001","90","","2901.9","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tb Dimer","","- C60 H44.74 N6 O14.37 S6 Tb2 -","- C60 H44.676 N6 O14.338 S6 Tb2 -","- C120 H89.352 N12 O28.676 S12 Tb4 -","2","0.5","","Batrice, Rami J.; Ridenour, J. August; Ayscue III, R. Lee; Bertke, Jeffery A.; Knope, Karah E.","Synthesis, structure, and photoluminescent behaviour of molecular lanthanide‒2-thiophenecarboxylate‒2,2′:6′,2′′-terpyridine materials","CrystEngComm","2017","","","","","10.1039/C7CE01192J","","","0.71073","MoKα","","0.0235","0.0191","","","0.0387","0.0398","","","","","","1.061","","","","has coordinates,has disorder","199914","2020-10-21","18:00:00",""
"7228979","11.91","0.0005","25.389","0.001","9.7186","0.0004","90","","97.852","0.002","90","","2911.2","0.2","100","","100.01","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Gd Dimer","","- C60 H44.74 Gd2 N6 O14.37 S6 -","- C60 H44.744 Gd2 N6 O14.372 S6 -","- C120 H89.488 Gd4 N12 O28.744 S12 -","2","0.5","","Batrice, Rami J.; Ridenour, J. August; Ayscue III, R. Lee; Bertke, Jeffery A.; Knope, Karah E.","Synthesis, structure, and photoluminescent behaviour of molecular lanthanide‒2-thiophenecarboxylate‒2,2′:6′,2′′-terpyridine materials","CrystEngComm","2017","","","","","10.1039/C7CE01192J","","","0.71073","MoKα","","0.0354","0.0239","","","0.0424","0.0446","","","","","","1.027","","","","has coordinates,has disorder","199914","2020-10-21","18:00:00",""
"7229033","22.185","0.004","18.725","0.004","23.73","0.005","90","","102.68","0.03","90","","9617","4","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C48 H42 Cu2 N14 O15 -","- C48 H42 Cu2 N14 O15 -","- C384 H336 Cu16 N112 O120 -","8","2","","Ribeiro, Eloisa O.; de Campos, Nathália R.; Doriguetto, Antônio C.; Barros, Wdeson P.; Ribeiro, Marcos A.; De Paula, Elgte E. B.; Stumpf, Humberto O.; Lloret, Francesc; Julve, Miguel; Marinho, Maria V.","Study of the complex formation between the [Cu(bpca)]+ secondary building unit and the aromatic N donors 2,3,5,6-tetra(2-pyridyl)pyrazine (tppz) and 1,3-bis(4-pyridyl)propane (bpp)","CrystEngComm","2017","","","","","10.1039/C7CE01230F","","","0.71073","MoKα","","0.0665","0.0438","","","0.0834","0.0915","","","","","","1.037","","","","has coordinates","200106","2020-10-21","18:00:00",""
"7229034","12.7715","0.0005","13.2527","0.0005","14.5883","0.0005","116.24","0.001","101.36","0.001","95.472","0.001","2124.09","0.14","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H36 Cl2 Cu2 N8 O16 -","- C37 H36 Cl2 Cu2 N8 O15.999 -","- C74 H72 Cl4 Cu4 N16 O31.998 -","2","1","","Ribeiro, Eloisa O.; de Campos, Nathália R.; Doriguetto, Antônio C.; Barros, Wdeson P.; Ribeiro, Marcos A.; De Paula, Elgte E. B.; Stumpf, Humberto O.; Lloret, Francesc; Julve, Miguel; Marinho, Maria V.","Study of the complex formation between the [Cu(bpca)]+ secondary building unit and the aromatic N donors 2,3,5,6-tetra(2-pyridyl)pyrazine (tppz) and 1,3-bis(4-pyridyl)propane (bpp)","CrystEngComm","2017","","","","","10.1039/C7CE01230F","","","0.71073","MoKα","","0.0542","0.0392","","","0.0995","0.1129","","","","","","1.043","","","","has coordinates","200106","2020-10-21","18:00:00",""
"7229045","10.5179","0.0002","14.0136","0.0003","14.7009","0.0003","62.1907","0.001","73.1924","0.0011","80.894","0.0012","1833.99","0.07","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H78 Cl4 Co4 N20 O22 -","- C52 H78 Cl4 Co4 N20 O22 -","- C52 H78 Cl4 Co4 N20 O22 -","1","0.5","","Li, Yunwu; Guo, Ling-Yu; Feng, Lei; Jaglicic, Zvonko; Zeng, Suyuan; Sun, Di","Self-Assembly, Structures, Magnetic Properties and Solution Behaviors of Six Mixed-Valence Cobalt Clusters","CrystEngComm","2017","","","","","10.1039/C7CE01375B","","","0.71073","MoKα","","0.0472","0.039","","","0.0986","0.1064","","","","","","1.031","","","","has coordinates","200157","2020-10-21","18:00:00",""
"7229046","13.675","0.004","12.957","0.004","14.59","0.004","90","","94.204","0.003","90","","2578.2","1.3","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H60 Cl4 Co4 N10 O26 -","- C28 H60 Cl4 Co4 N10 O26 -","- C56 H120 Cl8 Co8 N20 O52 -","2","0.5","","Li, Yunwu; Guo, Ling-Yu; Feng, Lei; Jaglicic, Zvonko; Zeng, Suyuan; Sun, Di","Self-Assembly, Structures, Magnetic Properties and Solution Behaviors of Six Mixed-Valence Cobalt Clusters","CrystEngComm","2017","","","","","10.1039/C7CE01375B","","","0.71073","MoKα","","0.0922","0.0582","","","0.1425","0.1624","","","","","","1.027","","","","has coordinates","200157","2020-10-21","18:00:00",""
"7229047","14.226","0.008","21.341","0.012","19.337","0.011","90","","109.717","0.005","90","","5526","5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H54 Cl4 Co4 N10 O23 -","- C38 H54 Cl4 Co4 N10 O23 -","- C152 H216 Cl16 Co16 N40 O92 -","4","1","","Li, Yunwu; Guo, Ling-Yu; Feng, Lei; Jaglicic, Zvonko; Zeng, Suyuan; Sun, Di","Self-Assembly, Structures, Magnetic Properties and Solution Behaviors of Six Mixed-Valence Cobalt Clusters","CrystEngComm","2017","","","","","10.1039/C7CE01375B","","","0.71073","MoKα","","0.133","0.0648","","","0.1462","0.1844","","","","","","1.004","","","","has coordinates","200157","2020-10-21","18:00:00",""
"7229048","17.5789","0.001","9.5632","0.0003","23.9684","0.0008","90","","101.608","0.003","90","","3946.9","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H112 Co6 N6 O24 -","- C54 H112 Co6 N6 O24 -","- C108 H224 Co12 N12 O48 -","2","0.5","","Li, Yunwu; Guo, Ling-Yu; Feng, Lei; Jaglicic, Zvonko; Zeng, Suyuan; Sun, Di","Self-Assembly, Structures, Magnetic Properties and Solution Behaviors of Six Mixed-Valence Cobalt Clusters","CrystEngComm","2017","","","","","10.1039/C7CE01375B","","","0.71073","MoKα","","0.1195","0.074","","","0.1823","0.2061","","","","","","1.032","","","","has coordinates","200157","2020-10-21","18:00:00",""
"7229049","18.9823","0.0004","31.2644","0.0005","19.2712","0.0004","90","","120.764","0.0013","90","","9827.5","0.4","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C30 H62 Co5 N16 O12 -","- C30 H62 Co5 N16 O12 -","- C240 H496 Co40 N128 O96 -","8","2","","Li, Yunwu; Guo, Ling-Yu; Feng, Lei; Jaglicic, Zvonko; Zeng, Suyuan; Sun, Di","Self-Assembly, Structures, Magnetic Properties and Solution Behaviors of Six Mixed-Valence Cobalt Clusters","CrystEngComm","2017","","","","","10.1039/C7CE01375B","","","0.71073","MoKα","","0.0777","0.0462","","","0.0887","0.101","","","","","","0.985","","","","has coordinates,has disorder","200157","2020-10-21","18:00:00",""
"7229050","17.872","0.003","26.479","0.005","15.968","0.003","90","","90","","90","","7557","2","298","2","298","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C50 H96 Co4 N5 Na O20 -","- C50 H96 Co4 N5 Na O20 -","- C200 H384 Co16 N20 Na4 O80 -","4","0.25","","Li, Yunwu; Guo, Ling-Yu; Feng, Lei; Jaglicic, Zvonko; Zeng, Suyuan; Sun, Di","Self-Assembly, Structures, Magnetic Properties and Solution Behaviors of Six Mixed-Valence Cobalt Clusters","CrystEngComm","2017","","","","","10.1039/C7CE01375B","","","0.71073","MoKα","","0.0869","0.0586","","","0.1628","0.19","","","","","","1.052","","","","has coordinates,has disorder","200157","2020-10-21","18:00:00",""
"7229051","16.521","0.005","8.034","0.003","11.901","0.004","90","","90","","90","","1579.6","0.9","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C6 H14 Ag3 N5 O12 -","- C6 H14 Ag3 N5 O12 -","- C24 H56 Ag12 N20 O48 -","4","1","","chen, lizhuang; Ji, Qin; Pan, Qi-Jian; Cao, Xing-Xing; Xu, Guang-Cheng","Two Novel Metal-Organic Coordination Polymers Based on Ligand 1,4-Diazabicyclo[2.2.2]octane N,N’-dioxide with Phase Transition, Ferroelectric and Dielectric Properties","CrystEngComm","2017","","","","","10.1039/C7CE00964J","","","0.71073","MoKα","","0.0506","0.0466","","","0.1156","0.1215","","","","","","1.002","","","","has coordinates,has disorder","200158","2020-10-21","18:00:00",""
"7229052","8.8232","0.0003","8.8232","0.0003","9.5989","0.0004","90","","90","","90","","747.26","0.05","296","2","296","2","","","","","","","","6","I 4/m m m","-I 4 2","139","","","","- C6 H20 Ca Cl2 N2 O6 -","- C6 H20 Ca Cl2 N2 O6 -","- C12 H40 Ca2 Cl4 N4 O12 -","2","0.0625","","chen, lizhuang; Ji, Qin; Pan, Qi-Jian; Cao, Xing-Xing; Xu, Guang-Cheng","Two Novel Metal-Organic Coordination Polymers Based on Ligand 1,4-Diazabicyclo[2.2.2]octane N,N’-dioxide with Phase Transition, Ferroelectric and Dielectric Properties","CrystEngComm","2017","","","","","10.1039/C7CE00964J","","","0.71073","MoKα","","0.0618","0.0589","","","0.1563","0.1613","","","","","","1.167","","","","has coordinates","200158","2020-10-21","18:00:00",""
"7229053","11.659","0.004","13.089","0.004","9.589","0.004","90","","90","","90","","1463.3","0.9","173","2","173","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C6 H20 Ca Cl2 N2 O6 -","- C6 H20 Ca Cl2 N2 O6 -","- C24 H80 Ca4 Cl8 N8 O24 -","4","0.25","","chen, lizhuang; Ji, Qin; Pan, Qi-Jian; Cao, Xing-Xing; Xu, Guang-Cheng","Two Novel Metal-Organic Coordination Polymers Based on Ligand 1,4-Diazabicyclo[2.2.2]octane N,N’-dioxide with Phase Transition, Ferroelectric and Dielectric Properties","CrystEngComm","2017","","","","","10.1039/C7CE00964J","","","0.71073","MoKα","","0.1007","0.0983","","","0.2476","0.249","","","","","","1.398","","","","has coordinates","200158","2020-10-21","18:00:00",""
"7229054","8.011","0.003","16.63","0.007","11.63","0.005","90","","90.202","0.005","90","","1549.4","1.1","123","2","123","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C6 H14 Ag3 N5 O12 -","- C6 H14 Ag3 N5 O12 -","- C24 H56 Ag12 N20 O48 -","4","1","","chen, lizhuang; Ji, Qin; Pan, Qi-Jian; Cao, Xing-Xing; Xu, Guang-Cheng","Two Novel Metal-Organic Coordination Polymers Based on Ligand 1,4-Diazabicyclo[2.2.2]octane N,N’-dioxide with Phase Transition, Ferroelectric and Dielectric Properties","CrystEngComm","2017","","","","","10.1039/C7CE00964J","","","0.71073","MoKα","","0.039","0.0388","","","0.12","0.1214","","","","","","1.174","","","","has coordinates,has disorder","200158","2020-10-21","18:00:00",""
"7229058","7.116","0.0004","13.6637","0.0007","19.0629","0.0012","90","","90","","90","","1853.5","0.18","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H33 N3 O9 P2 -","- C10 H33 N3 O9 P2 -","- C40 H132 N12 O36 P8 -","4","1","","Forsyth, Craig M.; Deacon, Glen B.; Junk, Peter Courtney; Greenhill, Neil B.","Recurrent supramolecular scenarios within complex 3-D hydrogen bond networks derived from organic ammonium salts of (4-amino-1-hydroxybutylidine)-1,1-bisphosphonic acid.","CrystEngComm","2017","","","","","10.1039/C7CE01034F","","","0.71073","MoKα","","0.0456","0.0362","","","0.0813","0.086","","","","","","1.048","","","","has coordinates","200192","2020-10-21","18:00:00",""
"7229059","6.6881","0.0003","14.5479","0.0008","18.9197","0.0012","90","","95.223","0.005","90","","1833.2","0.18","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H64 N6 O21 P4 -","- C16 H64 N6 O21 P4 -","- C32 H128 N12 O42 P8 -","2","0.5","","Forsyth, Craig M.; Deacon, Glen B.; Junk, Peter Courtney; Greenhill, Neil B.","Recurrent supramolecular scenarios within complex 3-D hydrogen bond networks derived from organic ammonium salts of (4-amino-1-hydroxybutylidine)-1,1-bisphosphonic acid.","CrystEngComm","2017","","","","","10.1039/C7CE01034F","","","0.71073","MoKα","","0.056","0.0398","","","0.0937","0.1037","","","","","","1.036","","","","has coordinates,has disorder","200192","2020-10-21","18:00:00",""
"7229060","6.5601","0.0002","14.3307","0.0004","17.7022","0.0005","90","","91.825","0.002","90","","1663.35","0.08","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H29 N3 O10 P2 -","- C7 H29 N3 O10 P2 -","- C28 H116 N12 O40 P8 -","4","1","","Forsyth, Craig M.; Deacon, Glen B.; Junk, Peter Courtney; Greenhill, Neil B.","Recurrent supramolecular scenarios within complex 3-D hydrogen bond networks derived from organic ammonium salts of (4-amino-1-hydroxybutylidine)-1,1-bisphosphonic acid.","CrystEngComm","2017","","","","","10.1039/C7CE01034F","","","0.71073","MoKα","","0.048","0.0364","","","0.0835","0.0889","","","","","","1.076","","","","has coordinates","200192","2020-10-21","18:00:00",""
"7229061","16.4593","0.0003","12.5327","0.0003","12.4717","0.0003","90","","91.612","0.002","90","","2571.64","0.1","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H39 N13 O14 P2 -","- C10 H39 N13 O14 P2 -","- C40 H156 N52 O56 P8 -","4","1","","Forsyth, Craig M.; Deacon, Glen B.; Junk, Peter Courtney; Greenhill, Neil B.","Recurrent supramolecular scenarios within complex 3-D hydrogen bond networks derived from organic ammonium salts of (4-amino-1-hydroxybutylidine)-1,1-bisphosphonic acid.","CrystEngComm","2017","","","","","10.1039/C7CE01034F","","","1.54184","CuKα","","0.0383","0.031","","","0.0752","0.0805","","","","","","1.031","","","","has coordinates","200192","2020-10-21","18:00:00",""
"7229062","8.8351","0.0002","11.5516","0.0003","28.2122","0.0007","90","","90","","90","","2879.32","0.12","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H25 N3 O9 P2 -","- C6 H25 N3 O9 P2 -","- C48 H200 N24 O72 P16 -","8","1","","Forsyth, Craig M.; Deacon, Glen B.; Junk, Peter Courtney; Greenhill, Neil B.","Recurrent supramolecular scenarios within complex 3-D hydrogen bond networks derived from organic ammonium salts of (4-amino-1-hydroxybutylidine)-1,1-bisphosphonic acid.","CrystEngComm","2017","","","","","10.1039/C7CE01034F","","","1.54184","CuKα","","0.028","0.0253","","","0.0665","0.0688","","","","","","1.066","","","","has coordinates","200192","2020-10-21","18:00:00",""
"7229063","6.8311","0.0002","16.1499","0.0006","18.8388","0.0006","90","","97.751","0.003","90","","2059.34","0.12","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H33 N3 O11 P2 -","- C12 H33 N3 O11 P2 -","- C48 H132 N12 O44 P8 -","4","1","","Forsyth, Craig M.; Deacon, Glen B.; Junk, Peter Courtney; Greenhill, Neil B.","Recurrent supramolecular scenarios within complex 3-D hydrogen bond networks derived from organic ammonium salts of (4-amino-1-hydroxybutylidine)-1,1-bisphosphonic acid.","CrystEngComm","2017","","","","","10.1039/C7CE01034F","","","0.71073","MoKα","","0.0381","0.0312","","","0.0808","0.0857","","","","","","1.064","","","","has coordinates","200192","2020-10-21","18:00:00",""
"7229064","43.221","0.0013","8.4871","0.0002","11.9087","0.0004","90","","98.289","0.003","90","","4322.7","0.2","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H80 N6 O19 P4 -","- C26 H80 N6 O19 P4 -","- C104 H320 N24 O76 P16 -","4","0.5","","Forsyth, Craig M.; Deacon, Glen B.; Junk, Peter Courtney; Greenhill, Neil B.","Recurrent supramolecular scenarios within complex 3-D hydrogen bond networks derived from organic ammonium salts of (4-amino-1-hydroxybutylidine)-1,1-bisphosphonic acid.","CrystEngComm","2017","","","","","10.1039/C7CE01034F","","","1.54178","CuKα","","0.0399","0.033","","","0.0826","0.0879","","","","","","1.042","","","","has coordinates,has disorder","200192","2020-10-21","18:00:00",""
"7229065","8.5015","0.0003","11.7989","0.0004","25.7287","0.001","77.382","0.003","85.424","0.003","90.021","0.003","2510.02","0.16","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H39 N3 O9 P2 -","- C20 H39 N3 O9 P2 -","- C80 H156 N12 O36 P8 -","4","2","","Forsyth, Craig M.; Deacon, Glen B.; Junk, Peter Courtney; Greenhill, Neil B.","Recurrent supramolecular scenarios within complex 3-D hydrogen bond networks derived from organic ammonium salts of (4-amino-1-hydroxybutylidine)-1,1-bisphosphonic acid.","CrystEngComm","2017","","","","","10.1039/C7CE01034F","","","1.54184","CuKα","","0.0826","0.0709","","","0.216","0.2259","","","","","","1.114","","","","has coordinates","200192","2020-10-21","18:00:00",""
"7229066","7.0822","0.0006","16.2842","0.001","16.4233","0.001","89.909","0.005","82.523","0.006","87.458","0.006","1876.1","0.2","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H33 N3 O10 P2 -","- C10 H33 N3 O10 P2 -","- C40 H132 N12 O40 P8 -","4","2","","Forsyth, Craig M.; Deacon, Glen B.; Junk, Peter Courtney; Greenhill, Neil B.","Recurrent supramolecular scenarios within complex 3-D hydrogen bond networks derived from organic ammonium salts of (4-amino-1-hydroxybutylidine)-1,1-bisphosphonic acid.","CrystEngComm","2017","","","","","10.1039/C7CE01034F","","","1.54178","CuKα","","0.0862","0.0518","","","0.116","0.1253","","","","","","0.933","","","","has coordinates","200192","2020-10-21","18:00:00",""
"7229067","11.1115","0.0007","12.5077","0.0008","16.1965","0.0004","85.612","0.003","89.685","0.003","64.385","0.006","2022.8","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H57 N11 Ni O15 -","- C30 H15 N5 Ni O9 -","- C60 H30 N10 Ni2 O18 -","2","1","","Pfeiffer, Constance R.; Biggins, Naomi; Lewis, William; Champness, Neil R.","Nickel(ii) metal‒organic frameworks with N,N′-di(4-pyridyl)-naphthalenediimide ligands: influence of secondary building unit geometry on dimensionality and framework dimensions","CrystEngComm","2017","","","","","10.1039/C7CE00956A","","x-ray","1.54184","CuKα","","0.0746","0.0543","","","0.1376","0.1498","","","","","","1.033","","","","has coordinates","200193","2020-10-21","18:00:00",""
"7229068","19.5137","0.0006","19.5137","0.0006","22.1533","0.0016","90","","90","","90","","8435.6","0.7","120","2","120","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C90 H174 N28 Ni O36 -","- C30 H26 N8 Ni O12 -","- C240 H208 N64 Ni8 O96 -","8","0.5","","Pfeiffer, Constance R.; Biggins, Naomi; Lewis, William; Champness, Neil R.","Nickel(ii) metal‒organic frameworks with N,N′-di(4-pyridyl)-naphthalenediimide ligands: influence of secondary building unit geometry on dimensionality and framework dimensions","CrystEngComm","2017","","","","","10.1039/C7CE00956A","","x-ray","1.54184","CuKα","","0.0769","0.0745","","","0.2014","0.2036","","","","","","1.077","","","","has coordinates,has disorder","200193","2020-10-21","18:00:00",""
"7229069","9.8571","0.0006","11.2573","0.0007","16.1205","0.0008","89.642","0.004","83.978","0.005","82.956","0.005","1765.46","0.18","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H35 N8 Ni O12 -","- C34 H28 N7 Ni O11 -","- C68 H56 N14 Ni2 O22 -","2","1","","Pfeiffer, Constance R.; Biggins, Naomi; Lewis, William; Champness, Neil R.","Nickel(ii) metal‒organic frameworks with N,N′-di(4-pyridyl)-naphthalenediimide ligands: influence of secondary building unit geometry on dimensionality and framework dimensions","CrystEngComm","2017","","","","","10.1039/C7CE00956A","","x-ray","1.54184","CuKα","","0.0654","0.0593","","","0.1638","0.1703","","","","","","1.063","","","","has coordinates","200193","2020-10-21","18:00:00",""
"7229076","17.249","0.003","28.481","0.005","31.388","0.006","90","","97.584","0.003","90","","15285","5","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C114 H171 Co10 N42 O38 -","- C114 H171 Co10 N42 O38 -","- C456 H684 Co40 N168 O152 -","4","1","","Shao, Dong; Shi, Le; Shen, Fuxing; Wang, Xin-Yi","A cyano-bridged coordination nanotube showing field-induced slow magnetic relaxation","CrystEngComm","2017","","","","","10.1039/C7CE01436H","","","0.71073","MoKα","","0.135","0.0792","","","0.2318","0.2764","","","","","","1.022","","","","has coordinates","200260","2020-10-21","18:00:00",""
"7229083","4.8225","0.0014","15.9142","0.0019","18.336","0.003","90","","90","","90","","1407.2","0.5","294","2","294","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H15 Ag N3 O9 P -","- C9 H15 Ag N3 O9 P -","- C36 H60 Ag4 N12 O36 P4 -","4","1","","Terron, Angel; Tomas, Llorenç; Bauza, Antonio; garcia-raso, Angel; Fiol, Juan J.; Molins, Elies; Frontera, Antonio","The First X-Ray Structure of a Silver‒Nucleotide Complex: Interaction of Ion Ag(I) with Cytidine-5’-Monophosphate","CrystEngComm","2017","","","","","10.1039/C7CE01400G","","x-ray","0.71073","MoKα","","0.0418","0.0338","","","0.0812","0.0851","","","","","","1.113","","","","has coordinates","200359","2020-10-21","18:00:00",""
"7229084","10.1333","0.0005","11.1817","0.0006","13.0022","0.0005","67.154","0.004","80.809","0.004","64.995","0.005","1230.4","0.12","298","2","298","2","","","","","","","","6","P -1","-P 1","2","(2-(Adamantan-1-yliminomethyl)-6-methoxy-phenol)(1,2-diiodotetrafluorobenzene)","(2-(Adamantan-1-yliminomethyl)-6-methoxy-phenol)(1,2-diiodotetrafluorobenzene)","","- C24 H23 F4 I2 N O2 -","- C24 H23 F4 I2 N O2 -","- C48 H46 F8 I4 N2 O4 -","2","1","","Zbačnik, Marija; Pajski, Matea; Stilinović, Vladimir; Vitković, Matea; Cinčić, Dominik","The halogen bonding proclivity of the ortho-methoxy‒hydroxy group in cocrystals of o-vanillin imines and diiodotetrafluoro-benzenes","CrystEngComm","2017","","","","","10.1039/C7CE01332A","","","0.71073","MoKα","","0.0572","0.0296","","","0.056","0.0594","","","","","","0.813","","","","has coordinates","200360","2020-10-21","18:00:00",""
"7229085","7.6601","0.0003","12.7245","0.0005","13.2834","0.0006","98.744","0.003","103.077","0.004","107.441","0.004","1169.04","0.09","298","2","298","2","","","","","","","","6","P -1","-P 1","2","(2-Methoxy-6-(naphthalen-1-yliminomethyl)-phenol)(1,4-diiodotetrafluorobenzene)","(2-Methoxy-6-(naphthalen-1-yliminomethyl)-phenol)(1,4-diiodotetrafluorobenzene)","","- C24 H15 F4 I2 N O2 -","- C24 H15 F4 I2 N O2 -","- C48 H30 F8 I4 N2 O4 -","2","1","","Zbačnik, Marija; Pajski, Matea; Stilinović, Vladimir; Vitković, Matea; Cinčić, Dominik","The halogen bonding proclivity of the ortho-methoxy‒hydroxy group in cocrystals of o-vanillin imines and diiodotetrafluoro-benzenes","CrystEngComm","2017","","","","","10.1039/C7CE01332A","","","0.71073","MoKα","","0.0825","0.0463","","","0.1463","0.1567","","","","","","1.11","","","","has coordinates","200360","2020-10-21","18:00:00",""
"7229086","6.5387","0.0003","15.6854","0.0006","11.6872","0.0004","90","","99.614","0.004","90","","1181.83","0.08","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","(2-Methoxy-6-(naphthalen-1-yliminomethyl)-phenol)(1,3-diiodotetrafluorobenzene)","(2-Methoxy-6-(naphthalen-1-yliminomethyl)-phenol)(1,3-diiodotetrafluorobenzene)","","- C24 H15 F4 I2 N O2 -","- C24 H15 F4 I2 N O2 -","- C48 H30 F8 I4 N2 O4 -","2","1","","Zbačnik, Marija; Pajski, Matea; Stilinović, Vladimir; Vitković, Matea; Cinčić, Dominik","The halogen bonding proclivity of the ortho-methoxy‒hydroxy group in cocrystals of o-vanillin imines and diiodotetrafluoro-benzenes","CrystEngComm","2017","","","","","10.1039/C7CE01332A","","","0.71073","MoKα","","0.0627","0.0372","","","0.08","0.086","","","","","","0.876","","","","has coordinates","200360","2020-10-21","18:00:00",""
"7229087","7.1326","0.0007","13.0545","0.0009","34.263","0.003","90","","90","","90","","3190.3","0.5","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-(Adamantan-1-yliminomethyl)-6-methoxy-phenol","2-(Adamantan-1-yliminomethyl)-6-methoxy-phenol","","- C18 H23 N O2 -","- C18 H23 N O2 -","- C144 H184 N8 O16 -","8","1","","Zbačnik, Marija; Pajski, Matea; Stilinović, Vladimir; Vitković, Matea; Cinčić, Dominik","The halogen bonding proclivity of the ortho-methoxy‒hydroxy group in cocrystals of o-vanillin imines and diiodotetrafluoro-benzenes","CrystEngComm","2017","","","","","10.1039/C7CE01332A","","","0.71073","MoKα","","0.1862","0.0414","","","0.0546","0.0674","","","","","","0.62","","","","has coordinates","200360","2020-10-21","18:00:00",""
"7229088","9.226","0.0004","10.0931","0.0004","12.4702","0.0004","95.431","0.003","95.804","0.003","116.039","0.004","1025.36","0.08","298","2","298","2","","","","","","","","6","P -1","-P 1","2","bis(2-(Adamantan-1-yliminomethyl)-6-methoxy-phenol)(14-diiodotetrafluorobenzene)","bis(2-(Adamantan-1-yliminomethyl)-6-methoxy-phenol)(14-diiodotetrafluorobenzene)","","- C42 H46 F4 I2 N2 O4 -","- C42 H46 F4 I2 N2 O4 -","- C42 H46 F4 I2 N2 O4 -","1","0.5","","Zbačnik, Marija; Pajski, Matea; Stilinović, Vladimir; Vitković, Matea; Cinčić, Dominik","The halogen bonding proclivity of the ortho-methoxy‒hydroxy group in cocrystals of o-vanillin imines and diiodotetrafluoro-benzenes","CrystEngComm","2017","","","","","10.1039/C7CE01332A","","","0.71073","MoKα","","0.0687","0.0549","","","0.1534","0.1586","","","","","","0.993","","","","has coordinates","200360","2020-10-21","18:00:00",""
"7229089","24.4632","0.0017","9.9876","0.0007","6.6405","0.0005","90","","93.113","0.006","90","","1620.1","0.2","364","","364","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","poly[[aquacalcium(II)]-μ-~3~-(4,4?-dimethoxy-3,3?-biphenyldicarboxylato)]","","- C16 H14 Ca O7 -","- C16 H14 Ca O7 -","- C64 H56 Ca4 O28 -","4","1","","Lundvall, Fredrik; Wragg, David; Vajeeston, Pooniah; Dietzel, Pascal D. C.; Fjellvåg, Helmer","Ab initio structure solution and thermal stability evaluation of a new Ca(II) 3D coordination polymer using synchrotron powder X-ray diffraction data","CrystEngComm","2017","","","","","10.1039/C7CE01389B","powder diffraction","","0.6954","synchrotron","","","","","","","","","4.241","49.33","","","","","","","has coordinates","200390","2020-10-21","18:00:00",""
"7229090","25.0265","0.0015","10.0028","0.0006","6.6715","0.0003","90","","94.482","0.005","90","","1665","0.16","294","","294","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","CPO-70-Ca (AS)","poly[[aquacalcium(II)]-μ-~3~-(4,4?-dimethoxy-3,3?-biphenyldicarboxylato) aqua monosolvate]","","- C16 H16 Ca O8 -","- C16 H15.72 Ca O7.86 -","- C64 H62.88 Ca4 O31.44 -","4","1","","Lundvall, Fredrik; Wragg, David; Vajeeston, Pooniah; Dietzel, Pascal D. C.; Fjellvåg, Helmer","Ab initio structure solution and thermal stability evaluation of a new Ca(II) 3D coordination polymer using synchrotron powder X-ray diffraction data","CrystEngComm","2017","","","","","10.1039/C7CE01389B","powder diffraction","","0.6954","synchrotron","","","","","","","","","4.468","47.57","","","","","","","has coordinates","200390","2020-10-21","18:00:00",""
"7229091","16.0748","0.0004","16.0748","0.0004","22.7327","0.0013","90","","90","","90","","5874.1","0.4","296","2","296","2","","","","","","","","6","P 42/n","-P 4bc","86","","","","- C28 H136 N14 O82 S16 Sm10 -","- C28 H112 N14 O82 S16 Sm10 -","- C56 H224 N28 O164 S32 Sm20 -","2","","","Xue, Yuanshan; Shi, Dayou; Zhang, Haitao; Ju, Weiwei; Mei, Hua; Xu, Yan","A Series of Color-Tunable Light-Emitting Open-Framework Lanthanide Sulfates Containing Extra-Large 36-Membered Ring Channels","CrystEngComm","2017","","","","","10.1039/C7CE01319A","","","0.71073","MoKα","","0.0615","0.0373","","","0.1055","0.1221","","","","","","1.092","","","","has coordinates","200391","2020-10-21","18:00:00",""
"7229092","16.144","0.006","16.144","0.006","22.809","0.009","90","","90","","90","","5945","4","296","2","296","2","","","","","","","","6","P 42/n","-P 4bc","86","","","","- C28 H138 N14 O82 S16 Tb10 -","- C28 H112 N14 O82 S16 Tb10 -","- C56 H224 N28 O164 S32 Tb20 -","2","","","Xue, Yuanshan; Shi, Dayou; Zhang, Haitao; Ju, Weiwei; Mei, Hua; Xu, Yan","A Series of Color-Tunable Light-Emitting Open-Framework Lanthanide Sulfates Containing Extra-Large 36-Membered Ring Channels","CrystEngComm","2017","","","","","10.1039/C7CE01319A","","","0.71073","MoKα","","0.0989","0.053","","","0.127","0.1392","","","","","","1.112","","","","has coordinates","200391","2020-10-21","18:00:00",""
"7229093","15.98","0.0007","15.98","0.0007","22.646","0.002","90","","90","","90","","5782.9","0.6","296","2","296","2","","","","","","","","6","P 42/n","-P 4bc","86","","","","- C28 H136 Er10 N14 O82 S16 -","- C28 H112 Er10 N14 O82 S16 -","- C56 H224 Er20 N28 O164 S32 -","2","","","Xue, Yuanshan; Shi, Dayou; Zhang, Haitao; Ju, Weiwei; Mei, Hua; Xu, Yan","A Series of Color-Tunable Light-Emitting Open-Framework Lanthanide Sulfates Containing Extra-Large 36-Membered Ring Channels","CrystEngComm","2017","","","","","10.1039/C7CE01319A","","","0.71073","MoKα","","0.1297","0.0981","","","0.181","0.19","","","","","","1.169","","","","has coordinates","200391","2020-10-21","18:00:00",""
"7229094","16.0974","0.0013","16.0974","0.0013","22.864","0.0018","90","","90","","90","","5924.7","0.8","296","2","296","2","","","","","","","","6","P 42/n","-P 4bc","86","","","","- C28 H136 Eu10 N14 O82 S16 -","- C28 H112 Eu10 N14 O82 S16 -","- C56 H224 Eu20 N28 O164 S32 -","2","","","Xue, Yuanshan; Shi, Dayou; Zhang, Haitao; Ju, Weiwei; Mei, Hua; Xu, Yan","A Series of Color-Tunable Light-Emitting Open-Framework Lanthanide Sulfates Containing Extra-Large 36-Membered Ring Channels","CrystEngComm","2017","","","","","10.1039/C7CE01319A","","","0.71073","MoKα","","0.1101","0.0888","","","0.1888","0.1959","","","","","","1.18","","","","has coordinates","200391","2020-10-21","18:00:00",""
"7229095","16.0542","0.0005","16.0542","0.0005","22.7238","0.0014","90","","90","","90","","5856.8","0.4","296","2","296","2","","","","","","","","6","P 42/n","-P 4bc","86","","","","- C28 H136 Dy10 N14 O82 S16 -","- C28 H112 Dy10 N14 O82 S16 -","- C56 H224 Dy20 N28 O164 S32 -","2","","","Xue, Yuanshan; Shi, Dayou; Zhang, Haitao; Ju, Weiwei; Mei, Hua; Xu, Yan","A Series of Color-Tunable Light-Emitting Open-Framework Lanthanide Sulfates Containing Extra-Large 36-Membered Ring Channels","CrystEngComm","2017","","","","","10.1039/C7CE01319A","","","0.71073","MoKα","","0.0734","0.0502","","","0.1222","0.1304","","","","","","1.051","","","","has coordinates","200391","2020-10-21","18:00:00",""
"7229096","15.883","0.007","5.585","0.004","10.779","0.01","90","","108.17","0.01","90","","908.5","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H9 N2 Na O4 S -","- C5 H9 N2 Na O4 S -","- C20 H36 N8 Na4 O16 S4 -","4","1","","ARDIZZOIA, G.ATTILIO; Brenna, Stefano; Civati, Francesco; Colombo, Valentina; Sironi, Angelo","A Phosphorescent Copper(I) Coordination Polymer with Sodium 3,5-dimethyl-4-sulfonate Pyrazolate","CrystEngComm","2017","","","","","10.1039/C7CE01404J","","","0.71073","MoKα","","0.0785","0.0514","","","0.0952","0.1012","","","","","","1.111","","","","has coordinates","212110","2020-10-21","18:00:00",""
"7229097","31.61138","0.00054","5.54791","0.00014","10.82291","0.0003","90","","96.9743","0.002","90","","1884.05","0.08","298","2","298","2","","","","","","","synthesis","7","C 1 2/c 1","-C 2yc","15","CuLNa*H2O","","","- C40 H64 Cu8 N16 Na8 O32 S8 -","- C5 H6 Cu N2 Na O4 S -","- C40 H48 Cu8 N16 Na8 O32 S8 -","8","1","","ARDIZZOIA, G.ATTILIO; Brenna, Stefano; Civati, Francesco; Colombo, Valentina; Sironi, Angelo","A Phosphorescent Copper(I) Coordination Polymer with Sodium 3,5-dimethyl-4-sulfonate Pyrazolate","CrystEngComm","2017","","","","","10.1039/C7CE01404J","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","200508","2020-10-21","18:00:00",""
"7229098","13.622","0.003","16.126","0.003","18.28","0.004","90","","109.949","0.003","90","","3774.6","1.4","293.15","","293.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H18 Cd3 N6 O12 -","- C30 H18 Cd3 N6 O12 -","- C120 H72 Cd12 N24 O48 -","4","0.5","","Li, Ke; Blatov, Vladislav A.; Fan, Tao; Zheng, Tian-Rui; Zhang, Ya-Qian; Li, Bao-Long; Wu, Bing","A series of Cd(II) coordination polymers based on flexible bis(triazole) and multicarboxylate ligands: topological diversity, entanglement and properties","CrystEngComm","2017","","","","","10.1039/C7CE01176H","","","0.71075","MoKα","","0.0574","0.0441","","","0.1001","0.1064","","","","","","1.078","","","","has coordinates","200510","2020-10-21","18:00:00",""
"7229099","14.934","0.002","16.586","0.003","10.0901","0.0016","90","","90","","90","","2499.3","0.7","293.15","","293.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C26 H22 Cd N6 O5 -","- C26 H20 Cd N6 O5 -","- C104 H80 Cd4 N24 O20 -","4","0.5","","Li, Ke; Blatov, Vladislav A.; Fan, Tao; Zheng, Tian-Rui; Zhang, Ya-Qian; Li, Bao-Long; Wu, Bing","A series of Cd(II) coordination polymers based on flexible bis(triazole) and multicarboxylate ligands: topological diversity, entanglement and properties","CrystEngComm","2017","","","","","10.1039/C7CE01176H","","","0.710747","MoKα","","0.0362","0.0277","","","0.07","0.0734","","","","","","1.041","","","","has coordinates,has disorder","200510","2020-10-21","18:00:00",""
"7229100","18.4042","0.0005","15.8373","0.0003","27.9693","0.0007","90","","90","","90","","8152.3","0.3","223","0.1","223","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C80 H78 Cd4 N12 O27 -","- C80 H68 Cd4 N12 O27 -","- C320 H272 Cd16 N48 O108 -","4","0.5","","Li, Ke; Blatov, Vladislav A.; Fan, Tao; Zheng, Tian-Rui; Zhang, Ya-Qian; Li, Bao-Long; Wu, Bing","A series of Cd(II) coordination polymers based on flexible bis(triazole) and multicarboxylate ligands: topological diversity, entanglement and properties","CrystEngComm","2017","","","","","10.1039/C7CE01176H","","","0.71073","MoKα","","0.0421","0.0298","","","0.0668","0.0715","","","","","","1.051","","","","has coordinates,has disorder","200510","2020-10-21","18:00:00",""
"7229101","9.785","0.002","10.345","0.003","11.126","0.003","78.4","0.009","82.174","0.012","82.427","0.011","1086.6","0.5","293.15","","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 Cd N6 O6 -","- C20 H20 Cd N6 O6 -","- C40 H40 Cd2 N12 O12 -","2","1","","Li, Ke; Blatov, Vladislav A.; Fan, Tao; Zheng, Tian-Rui; Zhang, Ya-Qian; Li, Bao-Long; Wu, Bing","A series of Cd(II) coordination polymers based on flexible bis(triazole) and multicarboxylate ligands: topological diversity, entanglement and properties","CrystEngComm","2017","","","","","10.1039/C7CE01176H","","","0.71075","MoKα","","0.0271","0.0228","","","0.0524","0.0534","","","","","","1.002","","","","has coordinates,has disorder","200510","2020-10-21","18:00:00",""
"7229102","11.0996","0.0005","17.0411","0.0008","22.1425","0.001","90","","95.144","0.001","90","","4171.4","0.3","273","2","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H38 Cd2 N12 O11 -","- C40 H38 Cd2 N12 O11 -","- C160 H152 Cd8 N48 O44 -","4","1","","Li, Ke; Blatov, Vladislav A.; Fan, Tao; Zheng, Tian-Rui; Zhang, Ya-Qian; Li, Bao-Long; Wu, Bing","A series of Cd(II) coordination polymers based on flexible bis(triazole) and multicarboxylate ligands: topological diversity, entanglement and properties","CrystEngComm","2017","","","","","10.1039/C7CE01176H","","","0.71073","MoKα","","0.0369","0.026","","","0.0565","0.0604","","","","","","1.038","","","","has coordinates","200510","2020-10-21","18:00:00",""
"7229103","24.418","0.007","15.686","0.004","21.471","0.006","90","","114.597","0.005","90","","7478","4","293.15","","293.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H56 Cd5 N18 O24 -","- C56 H56 Cd5 N18 O24 -","- C224 H224 Cd20 N72 O96 -","4","0.5","","Li, Ke; Blatov, Vladislav A.; Fan, Tao; Zheng, Tian-Rui; Zhang, Ya-Qian; Li, Bao-Long; Wu, Bing","A series of Cd(II) coordination polymers based on flexible bis(triazole) and multicarboxylate ligands: topological diversity, entanglement and properties","CrystEngComm","2017","","","","","10.1039/C7CE01176H","","","0.71075","MoKα","","0.0844","0.0697","","","0.1732","0.1842","","","","","","1.095","","","","has coordinates","200510","2020-10-21","18:00:00",""
"7229104","17.1401","0.0011","6.7651","0.0004","22.1684","0.0012","90","","94.427","0.003","90","","2562.9","0.3","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H9 Cd N3 O4 -","- C14 H9 Cd N3 O4 -","- C112 H72 Cd8 N24 O32 -","8","1","","Li, Ke; Blatov, Vladislav A.; Fan, Tao; Zheng, Tian-Rui; Zhang, Ya-Qian; Li, Bao-Long; Wu, Bing","A series of Cd(II) coordination polymers based on flexible bis(triazole) and multicarboxylate ligands: topological diversity, entanglement and properties","CrystEngComm","2017","","","","","10.1039/C7CE01176H","","","0.71073","MoKα","","0.024","0.0229","","","0.0566","0.0572","","","","","","1.075","","","","has coordinates","200510","2020-10-21","18:00:00",""
"7229105","7.641","0.003","19.081","0.007","15.21","0.006","90","","91.496","0.007","90","","2216.8","1.5","293.15","","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 Cd N6 O6 -","- C21 H20 Cd N6 O6 -","- C84 H80 Cd4 N24 O24 -","4","1","","Li, Ke; Blatov, Vladislav A.; Fan, Tao; Zheng, Tian-Rui; Zhang, Ya-Qian; Li, Bao-Long; Wu, Bing","A series of Cd(II) coordination polymers based on flexible bis(triazole) and multicarboxylate ligands: topological diversity, entanglement and properties","CrystEngComm","2017","","","","","10.1039/C7CE01176H","","","0.71075","MoKα","","0.103","0.0768","","","0.2293","0.2416","","","","","","1.062","","","","has coordinates","200510","2020-10-21","18:00:00",""
"7229106","9.915","0.003","4.8296","0.0013","11.944","0.003","90","","92.907","0.009","90","","571.2","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H20 N2 O4 -","- C9 H20 N2 O4 -","- C18 H40 N4 O8 -","2","1","","Smets, M. M. H.; Kalkman, E.; Tinnemans, P.; Krieger, A. M.; Meekes, H.; Cuppen, H. M.","Polymorphism of the quasiracemate d-2-aminobutyric acid:l-norvaline","CrystEngComm","2017","","","","","10.1039/C7CE01270E","","","0.71073","MoKα","","0.0921","0.0677","","","0.1715","0.1869","","","","","","1.053","","","","has coordinates","200511","2020-10-21","18:00:00",""
"7229107","26.39","0.004","4.7685","0.0007","9.8738","0.0014","90","","102.406","0.005","90","","1213.5","0.3","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C9 H20 N2 O4 -","- C9 H20 N2 O4 -","- C36 H80 N8 O16 -","4","1","","Smets, M. M. H.; Kalkman, E.; Tinnemans, P.; Krieger, A. M.; Meekes, H.; Cuppen, H. M.","Polymorphism of the quasiracemate d-2-aminobutyric acid:l-norvaline","CrystEngComm","2017","","","","","10.1039/C7CE01270E","","","0.71073","MoKα","","0.0383","0.0321","","","0.084","0.0882","","","","","","1.039","","","","has coordinates,has disorder","200511","2020-10-21","18:00:00",""
"7229108","9.2793","0.0005","12.9527","0.0007","16.6542","0.001","90","","99.379","0.006","90","","1974.94","0.19","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N,N'-tetraethyldiethylenetriamine)palladium(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pd S -","- C13 H29 F3 N4 O5 Pd S -","- C52 H116 F12 N16 O20 Pd4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.0481","0.0323","","","0.0613","0.0668","","","","","","1.035","","","","has coordinates","200512","2020-10-21","18:00:00",""
"7229109","9.2792","0.0004","13.0556","0.0005","16.7552","0.0007","90","","98.611","0.004","90","","2006.94","0.14","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N,N'-tetraethyldiethylenetriamine)palladium(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pd S -","- C13 H29 F3 N4 O5 Pd S -","- C52 H116 F12 N16 O20 Pd4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.0481","0.0344","","","0.0698","0.0757","","","","","","1.044","","","","has coordinates,has disorder","200512","2020-10-21","18:00:00",""
"7229110","9.2318","0.0004","13.1472","0.0006","17.0207","0.0009","90","","96.736","0.005","90","","2051.58","0.17","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N,N'-tetraethyldiethylenetriamine)palladium(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pd S -","- C13 H29 F3 N4 O5 Pd S -","- C52 H116 F12 N16 O20 Pd4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.045","0.0309","","","0.0596","0.0649","","","","","","1.029","","","","has coordinates","200512","2020-10-21","18:00:00",""
"7229111","9.2754","0.0004","13.0534","0.0005","16.7384","0.0007","90","","98.677","0.004","90","","2003.41","0.14","140","2","140","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N,N'-tetraethyldiethylenetriamine)palladium(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pd S -","- C13 H29 F3 N4 O5 Pd S -","- C52 H116 F12 N16 O20 Pd4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.0468","0.0328","","","0.0676","0.0736","","","","","","1.059","","","","has coordinates,has disorder","200512","2020-10-21","18:00:00",""
"7229112","9.271","0.0004","13.0533","0.0005","16.7207","0.0007","90","","98.733","0.004","90","","2000.03","0.14","130","2","130","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N,N'-tetraethyldiethylenetriamine)palladium(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pd S -","- C13 H29 F3 N4 O5 Pd S -","- C52 H116 F12 N16 O20 Pd4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.0459","0.0328","","","0.0653","0.0711","","","","","","1.051","","","","has coordinates,has disorder","200512","2020-10-21","18:00:00",""
"7229113","9.2897","0.0004","13.0472","0.0005","16.673","0.0008","90","","98.853","0.004","90","","1996.77","0.15","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N',N'-tetraethyldiethylenetriamine)palladium(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pd S -","- C13 H29 F3 N4 O5 Pd S -","- C52 H116 F12 N16 O20 Pd4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.0434","0.0313","","","0.0642","0.0697","","","","","","1.051","","","","has coordinates,has disorder","200512","2020-10-21","18:00:00",""
"7229114","9.2937","0.0005","12.9717","0.0006","16.6893","0.0009","90","","99.227","0.005","90","","1985.95","0.18","170","2","170","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N,N'-tetraethyldiethylenetriamine)palladium(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pd S -","- C13 H29 F3 N4 O5 Pd S -","- C52 H116 F12 N16 O20 Pd4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.0479","0.0328","","","0.0663","0.0733","","","","","","1.024","","","","has coordinates,has disorder","200512","2020-10-21","18:00:00",""
"7229115","9.2812","0.0004","13.0534","0.0006","16.6886","0.0008","90","","98.782","0.004","90","","1998.14","0.16","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N,N'-tetraethyldiethylenetriamine)palladium(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pd S -","- C13 H29 F3 N4 O5 Pd S -","- C52 H116 F12 N16 O20 Pd4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.0449","0.0324","","","0.0674","0.073","","","","","","1.053","","","","has coordinates,has disorder","200512","2020-10-21","18:00:00",""
"7229116","9.2479","0.0004","13.1454","0.0005","17.0808","0.001","90","","96.51","0.004","90","","2063.08","0.17","190","2","190","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N,N'-tetraethyldiethylenetriamine)palladium(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pd S -","- C13 H29 F3 N4 O5 Pd S -","- C52 H116 F12 N16 O20 Pd4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.0483","0.0328","","","0.0653","0.0718","","","","","","1.018","","","","has coordinates","200512","2020-10-21","18:00:00",""
"7229117","9.307","0.001","13.0321","0.0014","16.893","0.002","90","","98.34","0.011","90","","2027.3","0.4","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N',N'-tetraethyldiethylenetriamine)palladium(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pd S -","- C13 H29 F3 N4 O5 Pd S -","- C52 H116 F12 N16 O20 Pd4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.1213","0.0881","","","0.207","0.2445","","","","","","1.107","","","","has coordinates,has disorder","200512","2020-10-21","18:00:00",""
"7229118","9.3167","0.0008","13.0913","0.0011","17.0815","0.0016","90","","97.385","0.009","90","","2066.1","0.3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N',N'-tetraethyldiethylenetriamine)platinum(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pt S -","- C13 H29 F3 N4 O5 Pt S -","- C52 H116 F12 N16 O20 Pt4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.0692","0.0522","","","0.1101","0.1256","","","","","","1.056","","","","has coordinates,has disorder","200512","2020-10-21","18:00:00",""
"7229119","9.2551","0.0004","13.1357","0.0005","17.1243","0.001","90","","96.291","0.005","90","","2069.3","0.17","272","2","272","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N,N'-tetraethyldiethylenetriamine)palladium(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pd S -","- C13 H29 F3 N4 O5 Pd S -","- C52 H116 F12 N16 O20 Pd4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.0483","0.0325","","","0.0602","0.0664","","","","","","1.03","","","","has coordinates","200512","2020-10-21","18:00:00",""
"7229120","9.3062","0.0005","13.1239","0.0006","17.3489","0.0012","90","","95.366","0.006","90","","2109.6","0.2","300","2","300","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N,N'-tetraethyldiethylenetriamine)palladium(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pd S -","- C13 H29 F3 N4 O5 Pd S -","- C52 H116 F12 N16 O20 Pd4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.0628","0.0382","","","0.0666","0.0754","","","","","","1.04","","","","has coordinates","200512","2020-10-21","18:00:00",""
"7229121","9.3256","0.0002","12.9851","0.0003","16.7595","0.0004","90","","99.118","0.002","90","","2003.83","0.08","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N',N'-tetraethyldiethylenetriamine)platinum(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pt S -","- C13 H29 F3 N4 O5 Pt S -","- C52 H116 F12 N16 O20 Pt4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.0236","0.0186","","","0.0397","0.0415","","","","","","1.047","","","","has coordinates,has disorder","200512","2020-10-21","18:00:00",""
"7229122","9.3072","0.0004","13.0089","0.0005","16.7706","0.0009","90","","98.852","0.005","90","","2006.34","0.16","130","2","130","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N',N'-tetraethyldiethylenetriamine)platinum(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pt S -","- C13 H29 F3 N4 O5 Pt S -","- C52 H116 F12 N16 O20 Pt4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.0546","0.0381","","","0.0829","0.0914","","","","","","1.032","","","","has coordinates,has disorder","200512","2020-10-21","18:00:00",""
"7229123","9.3116","0.0004","13.0129","0.0005","16.7859","0.0009","90","","98.811","0.004","90","","2009.96","0.16","140","2","140","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N',N'-tetraethyldiethylenetriamine)platinum(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pt S -","- C13 H29 F3 N4 O5 Pt S -","- C52 H116 F12 N16 O20 Pt4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.055","0.0384","","","0.0822","0.0904","","","","","","1.046","","","","has coordinates,has disorder","200512","2020-10-21","18:00:00",""
"7229124","9.2898","0.0005","13.0891","0.0005","16.8662","0.0011","90","","98.239","0.005","90","","2029.68","0.19","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N',N'-tetraethyldiethylenetriamine)platinum(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pt S -","- C13 H29 F3 N4 O5 Pt S -","- C52 H116 F12 N16 O20 Pt4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.0452","0.0332","","","0.0708","0.0766","","","","","","1.04","","","","has coordinates,has disorder","200512","2020-10-21","18:00:00",""
"7229125","9.2331","0.0003","13.1391","0.0004","16.9695","0.0005","90","","97.1","0.003","90","","2042.86","0.11","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N',N'-tetraethyldiethylenetriamine)platinum(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pt S -","- C13 H29 F3 N4 O5 Pt S -","- C52 H116 F12 N16 O20 Pt4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.0358","0.0279","","","0.0627","0.0666","","","","","","1.033","","","","has coordinates","200512","2020-10-21","18:00:00",""
"7229126","9.3067","0.0004","13.0094","0.0005","16.7577","0.0008","90","","98.924","0.004","90","","2004.37","0.15","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N',N'-tetraethyldiethylenetriamine)platinum(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pt S -","- C13 H29 F3 N4 O5 Pt S -","- C52 H116 F12 N16 O20 Pt4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.0559","0.0398","","","0.0874","0.096","","","","","","1.043","","","","has coordinates,has disorder","200512","2020-10-21","18:00:00",""
"7229127","9.2689","0.0004","13.0528","0.0005","16.7054","0.0007","90","","98.782","0.004","90","","1997.41","0.14","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N,N'-tetraethyldiethylenetriamine)palladium(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pd S -","- C13 H29 F3 N4 O5 Pd S -","- C52 H116 F12 N16 O20 Pd4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.0454","0.0324","","","0.0661","0.0716","","","","","","1.041","","","","has coordinates,has disorder","200512","2020-10-21","18:00:00",""
"7229128","9.3358","0.0002","12.9883","0.0003","16.7838","0.0005","90","","99.045","0.003","90","","2009.83","0.09","220","2","220","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N',N'-tetraethyldiethylenetriamine)platinum(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pt S -","- C13 H29 F3 N4 O5 Pt S -","- C52 H116 F12 N16 O20 Pt4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.0258","0.0198","","","0.0425","0.0446","","","","","","1.048","","","","has coordinates,has disorder","200512","2020-10-21","18:00:00",""
"7229129","9.3083","0.0004","13.0063","0.0005","16.7422","0.0008","90","","98.957","0.004","90","","2002.2","0.15","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N',N'-tetraethyldiethylenetriamine)platinum(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pt S -","- C13 H29 F3 N4 O5 Pt S -","- C52 H116 F12 N16 O20 Pt4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.0529","0.0378","","","0.0832","0.09","","","","","","1.032","","","","has coordinates,has disorder","200512","2020-10-21","18:00:00",""
"7229130","9.2772","0.0004","13.1359","0.0006","17.2076","0.0011","90","","95.944","0.005","90","","2085.72","0.19","250","2","250","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N,N'-tetraethyldiethylenetriamine)palladium(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pd S -","- C13 H29 F3 N4 O5 Pd S -","- C52 H116 F12 N16 O20 Pd4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.0537","0.0345","","","0.0645","0.0723","","","","","","1.036","","","","has coordinates","200512","2020-10-21","18:00:00",""
"7229131","9.3149","0.0004","13.0139","0.0005","16.7987","0.0009","90","","98.765","0.005","90","","2012.61","0.16","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N',N'-tetraethyldiethylenetriamine)platinum(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pt S -","- C13 H29 F3 N4 O5 Pt S -","- C52 H116 F12 N16 O20 Pt4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.0545","0.0369","","","0.0826","0.0901","","","","","","1.054","","","","has coordinates,has disorder","200512","2020-10-21","18:00:00",""
"7229132","9.203","0.0003","13.1728","0.0005","16.9033","0.0006","90","","97.338","0.004","90","","2032.39","0.13","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N',N'-tetraethyldiethylenetriamine)palladium(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pd S -","- C13 H29 F3 N4 O5 Pd S -","- C52 H116 F12 N16 O20 Pd4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.0401","0.0284","","","0.0558","0.0603","","","","","","1.033","","","","has coordinates","200512","2020-10-21","18:00:00",""
"7229133","9.2881","0.0004","13.0071","0.0005","16.7446","0.0007","90","","98.816","0.004","90","","1999.04","0.14","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N',N'-tetraethyldiethylenetriamine)platinum(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pt S -","- C13 H29 F3 N4 O5 Pt S -","- C52 H116 F12 N16 O20 Pt4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.0487","0.0335","","","0.0669","0.0732","","","","","","1.053","","","","has coordinates,has disorder","200512","2020-10-21","18:00:00",""
"7229134","9.3266","0.0002","12.9762","0.0003","16.7496","0.0004","90","","99.174","0.002","90","","2001.17","0.08","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N',N'-tetraethyldiethylenetriamine)platinum(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pt S -","- C13 H29 F3 N4 O5 Pt S -","- C52 H116 F12 N16 O20 Pt4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.0229","0.0181","","","0.0394","0.0409","","","","","","1.043","","","","has coordinates,has disorder","200512","2020-10-21","18:00:00",""
"7229135","9.3067","0.0004","13.0046","0.0005","16.7285","0.0008","90","","99.001","0.004","90","","1999.72","0.15","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N',N'-tetraethyldiethylenetriamine)platinum(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pt S -","- C13 H29 F3 N3.999 O4.998 Pt S -","- C52 H116 F12 N15.996 O19.992 Pt4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.0498","0.0358","","","0.0789","0.0854","","","","","","1.042","","","","has coordinates,has disorder","200512","2020-10-21","18:00:00",""
"7229136","9.3268","0.0002","12.9755","0.0003","16.7508","0.0004","90","","99.17","0.002","90","","2001.27","0.08","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N',N'-tetraethyldiethylenetriamine)platinum(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pt S -","- C13 H29 F3 N4 O5 Pt S -","- C52 H116 F12 N16 O20 Pt4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.0236","0.0187","","","0.0412","0.0429","","","","","","1.04","","","","has coordinates,has disorder","200512","2020-10-21","18:00:00",""
"7229137","9.2636","0.0003","13.1409","0.0004","17.1074","0.0006","90","","96.567","0.003","90","","2068.85","0.12","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N',N'-tetraethyldiethylenetriamine)platinum(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pt S -","- C13 H29 F3 N4 O5 Pt S -","- C52 H116 F12 N16 O20 Pt4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.0273","0.0213","","","0.0461","0.0487","","","","","","1.034","","","","has coordinates","200512","2020-10-21","18:00:00",""
"7229138","9.3397","0.0003","13.0157","0.0004","16.8317","0.0006","90","","98.814","0.003","90","","2021.94","0.12","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N',N'-tetraethyldiethylenetriamine)platinum(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pt S -","- C13 H29 F3 N4 O5 Pt S -","- C52 H116 F12 N16 O20 Pt4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.0313","0.025","","","0.0532","0.0558","","","","","","1.054","","","","has coordinates,has disorder","200512","2020-10-21","18:00:00",""
"7229139","9.2899","0.0003","13.1228","0.0004","17.2055","0.0005","90","","96.12","0.003","90","","2085.56","0.11","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N',N'-tetraethyldiethylenetriamine)platinum(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pt S -","- C13 H29 F3 N4 O5 Pt S -","- C52 H116 F12 N16 O20 Pt4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.0292","0.0222","","","0.0486","0.0516","","","","","","1.044","","","","has coordinates","200512","2020-10-21","18:00:00",""
"7229140","9.3533","0.0005","13.1046","0.0004","17.4169","0.0008","90","","95.472","0.004","90","","2125.08","0.16","300","2","300","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N',N'-tetraethyldiethylenetriamine)platinum(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pt S -","- C13 H29 F3 N4 O5 Pt S -","- C52 H116 F12 N16 O20 Pt4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.0496","0.0324","","","0.0707","0.0791","","","","","","1.039","","","","has coordinates","200512","2020-10-21","18:00:00",""
"7229141","9.3316","0.0002","12.9806","0.0003","16.7653","0.0004","90","","99.125","0.002","90","","2005.08","0.08","210","2","210","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Nitro(N,N,N',N'-tetraethyldiethylenetriamine)platinum(II) trifluoromethanesulfonate","","- C13 H29 F3 N4 O5 Pt S -","- C13 H29 F3 N4 O5 Pt S -","- C52 H116 F12 N16 O20 Pt4 S4 -","4","1","","Hatcher, Lauren E.; Raithby, Paul R.","The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers","CrystEngComm","2017","","","","","10.1039/C7CE01366C","","","0.71073","MoKα","","0.0243","0.0191","","","0.041","0.0429","","","","","","1.055","","","","has coordinates,has disorder","200512","2020-10-21","18:00:00",""
"7229142","8.2449","0.0003","19.4227","0.0008","8.8011","0.0003","90","","113.635","0.001","90","","1291.17","0.08","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu I N4 -","- C10 H14 Cu I N4 -","- C40 H56 Cu4 I4 N16 -","4","1","","Tarassoli, Abbas; Nobakht, Valiollah; Baladi, Elham; CARLUCCI, LUCIA; Proserpio, Davide M.","Capture of volatile iodine by newly prepared and characterized non-porous [CuI]n-based coordination polymers","CrystEngComm","2017","","","","","10.1039/C7CE01193H","","","0.71073","MoKα","","0.0413","0.0271","","","0.0565","0.0611","","","","","","1.044","","","","has coordinates","200513","2020-10-21","18:00:00",""
"7229143","4.3887","0.0007","19.267","0.003","8.9217","0.0015","90","","91.73","0.003","90","","754","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H14 Cu2 I2 N4 -","- C10 H14 Cu2 I2 N4 -","- C20 H28 Cu4 I4 N8 -","2","0.5","","Tarassoli, Abbas; Nobakht, Valiollah; Baladi, Elham; CARLUCCI, LUCIA; Proserpio, Davide M.","Capture of volatile iodine by newly prepared and characterized non-porous [CuI]n-based coordination polymers","CrystEngComm","2017","","","","","10.1039/C7CE01193H","","","0.71073","MoKα","","0.0454","0.0418","","","0.0921","0.0935","","","","","","1.294","","","","has coordinates","200513","2020-10-21","18:00:00",""
"7229144","8.866","0.0012","9.0619","0.0012","12.1365","0.0016","91.656","0.002","97.796","0.002","101.32","0.002","945.7","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H22 Cu I N4 -","- C18 H22 Cu I N4 -","- C36 H44 Cu2 I2 N8 -","2","1","","Tarassoli, Abbas; Nobakht, Valiollah; Baladi, Elham; CARLUCCI, LUCIA; Proserpio, Davide M.","Capture of volatile iodine by newly prepared and characterized non-porous [CuI]n-based coordination polymers","CrystEngComm","2017","","","","","10.1039/C7CE01193H","","","0.71073","MoKα","","0.0356","0.0283","","","0.0762","0.081","","","","","","1.035","","","","has coordinates","200513","2020-10-21","18:00:00",""
"7229145","17.421","0.007","15.653","0.006","23.368","0.009","90","","105.588","0.005","90","","6138","4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H56 Cu4 I4 N16 -","- C56 H56 Cu4 I4 N16 -","- C224 H224 Cu16 I16 N64 -","4","1","","Tarassoli, Abbas; Nobakht, Valiollah; Baladi, Elham; CARLUCCI, LUCIA; Proserpio, Davide M.","Capture of volatile iodine by newly prepared and characterized non-porous [CuI]n-based coordination polymers","CrystEngComm","2017","","","","","10.1039/C7CE01193H","","","0.71073","MoKα","","0.0703","0.0313","","","0.0574","0.0715","","","","","","1.005","","","","has coordinates","200513","2020-10-21","18:00:00",""
"7229158","7.3027","0.0014","7.7089","0.0015","10.368","0.002","93.184","0.003","98.654","0.003","107.39","0.003","547.52","0.18","100","","100","","","","","","","","","4","P -1","-P 1","2","THY: 2,4 DAP","","","- C9 H12 N6 O2 -","- C9 H12 N6 O2 -","- C18 H24 N12 O4 -","2","1","","Koch, Elizabeth S.; McKenna, Kelly A.; Kim, Hyo Jung; Young, Victor G.; Swift, Jennifer A.","Thymine cocrystals based on DNA-inspired binding motifs","CrystEngComm","2017","","","","","10.1039/C7CE01347G","","","0.71073","MoKα","","0.0442","0.039","","","0.1197","0.1264","","","","","","1.07","","","","has coordinates","200866","2020-10-21","18:00:00",""
"7229159","6.9654","0.0005","6.9947","0.0005","15.4852","0.001","83.219","0.002","87.719","0.002","73.739","0.002","719.19","0.09","100","2","100.15","","","","","","","","","4","P -1","-P 1","2","thymine:2,4-diamino-6-hydroxypyrimidine trihydrate","T:DAHP.3H2O","","- C9 H18 N6 O6 -","- C9 H18 N6 O6 -","- C18 H36 N12 O12 -","2","1","","Koch, Elizabeth S.; McKenna, Kelly A.; Kim, Hyo Jung; Young, Victor G.; Swift, Jennifer A.","Thymine cocrystals based on DNA-inspired binding motifs","CrystEngComm","2017","","","","","10.1039/C7CE01347G","","","0.71073","MoKα","","0.0915","0.0624","","","0.1139","0.1223","","","","","","1.189","","","","has coordinates","200866","2020-10-21","18:00:00",""
"7229160","6.7793","0.0002","12.3197","0.0004","14.8694","0.0004","104.716","0.0014","96.7763","0.0013","90.5177","0.0014","1191.76","0.06","100","2","100.15","","","","","","","","","4","P -1","-P 1","2","Thymine:2,4,6-triaminopyrimidine","T:246TAPM","","- C9 H15 N7 O3 -","- C9 H15 N7 O3 -","- C36 H60 N28 O12 -","4","2","","Koch, Elizabeth S.; McKenna, Kelly A.; Kim, Hyo Jung; Young, Victor G.; Swift, Jennifer A.","Thymine cocrystals based on DNA-inspired binding motifs","CrystEngComm","2017","","","","","10.1039/C7CE01347G","","","1.54178","CuKα","","0.0569","0.0556","","","0.1527","0.1546","","","","","","1.066","","","","has coordinates","200866","2020-10-21","18:00:00",""
"7229161","40.6077","0.0014","8.7048","0.0003","17.2621","0.0006","90","","97.184","0.002","90","","6053.9","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C67 H74 N4 O13 -","- C67 H74 N4 O13 -","- C268 H296 N16 O52 -","4","1","","He, Hongyan; Zhang, Qi; Wang, Jian-Rong; Mei, Xuefeng","Structure, physicochemical properties and pharmacokinetics of resveratrol and piperine cocrystals","CrystEngComm","2017","","","","","10.1039/C7CE01468F","","","0.71073","MoKα","","0.1354","0.0665","","","0.1344","0.1617","","","","","","1.069","","","","has coordinates","200867","2020-10-21","18:00:00",""
"7229162","58.8257","0.001","8.8831","0.0001","17.2873","0.0003","90","","100.318","0.001","90","","8887.5","0.2","170","2","170","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C50 H55 N3 O10 -","- C50 H55 N3 O10 -","- C400 H440 N24 O80 -","8","1","","He, Hongyan; Zhang, Qi; Wang, Jian-Rong; Mei, Xuefeng","Structure, physicochemical properties and pharmacokinetics of resveratrol and piperine cocrystals","CrystEngComm","2017","","","","","10.1039/C7CE01468F","","","0.71073","MoKα","","0.0694","0.0461","","","0.1071","0.1205","","","","","","1.022","","","","has coordinates","200867","2020-10-21","18:00:00",""
"7229163","33.8536","0.0012","8.303","0.0003","17.6214","0.0006","90","","102.686","0.002","90","","4832.2","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C55 H59 N2 O10 -","- C55 H59 N2 O10 -","- C220 H236 N8 O40 -","4","1","","He, Hongyan; Zhang, Qi; Wang, Jian-Rong; Mei, Xuefeng","Structure, physicochemical properties and pharmacokinetics of resveratrol and piperine cocrystals","CrystEngComm","2017","","","","","10.1039/C7CE01468F","","","0.71073","MoKα","","0.1368","0.0588","","","0.1151","0.1417","","","","","","1.003","","","","has coordinates,has disorder","200867","2020-10-21","18:00:00",""
"7229164","21.6976","0.0007","7.7355","0.0003","26.0438","0.0009","90","","93.278","0.002","90","","4364.1","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H56 N2 O12 -","- C48 H56 N2 O12 -","- C192 H224 N8 O48 -","4","1","","He, Hongyan; Zhang, Qi; Wang, Jian-Rong; Mei, Xuefeng","Structure, physicochemical properties and pharmacokinetics of resveratrol and piperine cocrystals","CrystEngComm","2017","","","","","10.1039/C7CE01468F","","","0.71073","MoKα","","0.1819","0.0878","","","0.1665","0.2035","","","","","","1.03","","","","has coordinates","200867","2020-10-21","18:00:00",""
"7229165","9.3153","0.0018","21.323","0.004","30.484","0.006","90","","90","","90","","6055","2","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C49 H40 Cu5 I4 N7 O16 Pr2 -","- C49 H40 Cu5 I4 N7 O16 Pr2 -","- C196 H160 Cu20 I16 N28 O64 Pr8 -","4","1","","Jin, Hong-Guang; Hong, Xu-Jia; Tan, Hao-Chong; Qin, Wei; Lin, Xiao-Ming; Cai, Yue-Peng","Achiral aromatic solvent-induced assemblies of the 3-D homochiral porous 3d-4f heterometallic-organic frameworks based on isonicotinic acid","CrystEngComm","2017","","","","","10.1039/C7CE01580A","","","0.71073","MoKα","","0.1205","0.0722","","","0.0683","0.0788","","","","","","1.069","","","","has coordinates,has disorder","200868","2020-10-21","18:00:00",""
"7229166","9.2472","0.0001","21.2695","0.0002","30.2936","0.0004","90","","90","","90","","5958.25","0.12","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C48 H38 Cu5 I4 N7 O16 Pr2 -","- C48 H38 Cu5 I4 N7 O16 Pr2 -","- C192 H152 Cu20 I16 N28 O64 Pr8 -","4","1","","Jin, Hong-Guang; Hong, Xu-Jia; Tan, Hao-Chong; Qin, Wei; Lin, Xiao-Ming; Cai, Yue-Peng","Achiral aromatic solvent-induced assemblies of the 3-D homochiral porous 3d-4f heterometallic-organic frameworks based on isonicotinic acid","CrystEngComm","2017","","","","","10.1039/C7CE01580A","","","1.54178","CuKα","","0.0683","0.0666","","","0.1715","0.1749","","","","","","1.001","","","","has coordinates","200868","2020-10-21","18:00:00",""
"7229167","7.0697","0.0005","24.7757","0.0019","18.1496","0.0014","90","","99.049","0.001","90","","3139.5","0.4","298","2","298","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C42 H42 Cu7 I6 N7 O21 Pr2 -","- C42 H42 Cu7 I6 N7 O21 Pr2 -","- C84 H84 Cu14 I12 N14 O42 Pr4 -","2","0.5","","Jin, Hong-Guang; Hong, Xu-Jia; Tan, Hao-Chong; Qin, Wei; Lin, Xiao-Ming; Cai, Yue-Peng","Achiral aromatic solvent-induced assemblies of the 3-D homochiral porous 3d-4f heterometallic-organic frameworks based on isonicotinic acid","CrystEngComm","2017","","","","","10.1039/C7CE01580A","","","0.71073","MoKα","","0.038","0.0343","","","0.0905","0.093","","","","","","1.068","","","","has coordinates","200868","2020-10-21","18:00:00",""
"7229169","36.88","0.03","11.065","0.008","19.195","0.013","90","","121.141","0.008","90","","6704","9","320","2","320","2","","","","","","","no","3","C 1 c 1","C -2yc","9","C18BiPhcage","C18BiPhcage","","- C66 H116 Si2 -","- C66 H114 Si2 -","- C264 H456 Si8 -","4","1","","Fujiwara, Atsushi; Inagaki, Yusuke; Momma, Hiroyuki; Kwon, Eunsang; Yamaguchi, Kentaro; Kanno, Manabu; Kono, Hirohiko; Setaka, Wataru","A Crystalline Molecular Gyrotop with a Biphenylene Dirotor and its Temperature Dependent Birefringence","CrystEngComm","2017","","","","","10.1039/C7CE01081H","","","0.71073","MoKα","","0.3692","0.1291","","","0.3138","0.4925","","","","","","0.954","","","","has coordinates","200912","2020-10-21","18:00:00",""
"7229170","35.097","0.003","11.4728","0.001","16.9361","0.0014","90","","110.809","0.001","90","","6374.7","0.9","200","2","200","2","","","","","","","no","3","C 1 2/c 1","-C 2yc","15","C18satBiphCage","C18satBiphCage","","- C66 H116 Si2 -","- C66 H116 Si2 -","- C264 H464 Si8 -","4","0.5","","Fujiwara, Atsushi; Inagaki, Yusuke; Momma, Hiroyuki; Kwon, Eunsang; Yamaguchi, Kentaro; Kanno, Manabu; Kono, Hirohiko; Setaka, Wataru","A Crystalline Molecular Gyrotop with a Biphenylene Dirotor and its Temperature Dependent Birefringence","CrystEngComm","2017","","","","","10.1039/C7CE01081H","","","0.71073","MoKα","","0.1177","0.0837","","","0.2458","0.2783","","","","","","1.063","","","","has coordinates,has disorder","200912","2020-10-21","18:00:00",""
"7229171","36.52","0.03","10.968","0.009","19.057","0.016","90","","120.161","0.012","90","","6600","9","280","2","280","2","","","","","","","no","3","C 1 c 1","C -2yc","9","C18BiPhcage","C18BiPhcage","","- C66 H116 Si2 -","- C66 H116 Si2 -","- C264 H464 Si8 -","4","1","","Fujiwara, Atsushi; Inagaki, Yusuke; Momma, Hiroyuki; Kwon, Eunsang; Yamaguchi, Kentaro; Kanno, Manabu; Kono, Hirohiko; Setaka, Wataru","A Crystalline Molecular Gyrotop with a Biphenylene Dirotor and its Temperature Dependent Birefringence","CrystEngComm","2017","","","","","10.1039/C7CE01081H","","","0.71073","MoKα","","0.3565","0.1208","","","0.3104","0.471","","","","","","0.955","","","","has coordinates","200912","2020-10-21","18:00:00",""
"7229172","12.8652","0.0016","13.2912","0.0018","21.1257","0.0018","90","","119.797","0.005","90","","3134.8","0.7","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H52 Cl10 Dy2 N8 O6 -","- C56 H52 Cl10 Dy2 N8 O6 -","- C112 H104 Cl20 Dy4 N16 O12 -","2","0.5","","Jiang, Zhijie; Sun, Lin; Yang, Qi; Wei, Shilong; Ke, Hongshan; Chen, Sanping; Zhang, Yiquan; Wei, Qing; Xie, Gang","Solvent orientation in the crystal lattice producing distinct magnetic dynamics in two binuclear Dy(iii) polymorphs with a polydentate Schiff base ligand","CrystEngComm","2017","","","","","10.1039/C7CE01269A","","","","","","0.068","","","","","","","","","","","","","","","has coordinates","200913","2020-10-21","18:00:00",""
"7229173","21.186","0.009","15.093","0.009","21.803","0.012","90","","116.915","0.014","90","","6217","6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H52 Cl10 Dy2 N8 O6 -","- C56 H52 Cl10 Dy2 N8 O6 -","- C224 H208 Cl40 Dy8 N32 O24 -","4","0.5","","Jiang, Zhijie; Sun, Lin; Yang, Qi; Wei, Shilong; Ke, Hongshan; Chen, Sanping; Zhang, Yiquan; Wei, Qing; Xie, Gang","Solvent orientation in the crystal lattice producing distinct magnetic dynamics in two binuclear Dy(iii) polymorphs with a polydentate Schiff base ligand","CrystEngComm","2017","","","","","10.1039/C7CE01269A","","","0.71073","MoKα","","0.076","0.0494","","","0.1162","0.1261","","","","","","1.094","","","","has coordinates","200913","2020-10-21","18:00:00",""
"7229175","7.0515","0.0005","8.1392","0.0006","16.8642","0.0011","90","","90","","90","","967.9","0.12","291","2","291","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C7 H12 Cu N O5 P -","- C7 H12 Cu N O5 P -","- C28 H48 Cu4 N4 O20 P4 -","4","1","","Zhu, Guangshan; liang, xiao qiang; Cai, Kun; Zhang, Feng; Liu, Jia","One, two, and three-dimensional metal-organic coordination polymers derived from enantiopure organic phosphorate: homochirality, water stability and proton conduction","CrystEngComm","2017","","","","","10.1039/C7CE01509G","","","0.71073","MoKα","","0.0219","0.0204","","","0.0472","0.0476","","","","","","1.085","","","","has coordinates","200950","2020-10-21","18:00:00",""
"7229176","6.7846","0.0006","11.3724","0.001","14.25","0.0013","90","","90","","90","","1099.49","0.17","291","2","291","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H16 Cu N O6 P -","- C8 H16 Cu N O6 P -","- C32 H64 Cu4 N4 O24 P4 -","4","1","","Zhu, Guangshan; liang, xiao qiang; Cai, Kun; Zhang, Feng; Liu, Jia","One, two, and three-dimensional metal-organic coordination polymers derived from enantiopure organic phosphorate: homochirality, water stability and proton conduction","CrystEngComm","2017","","","","","10.1039/C7CE01509G","","","0.71073","MoKα","","0.0296","0.028","","","0.0797","0.0807","","","","","","1.02","","","","has coordinates","200950","2020-10-21","18:00:00",""
"7229177","8.7089","0.0004","12.6968","0.0005","13.574","0.0005","90","","90","","90","","1500.95","0.11","291","2","291","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C7 H16 Cd2 Cl2 N O7 P -","- C7 H16 Cd2 Cl2 N O7 P -","- C28 H64 Cd8 Cl8 N4 O28 P4 -","4","1","","Zhu, Guangshan; liang, xiao qiang; Cai, Kun; Zhang, Feng; Liu, Jia","One, two, and three-dimensional metal-organic coordination polymers derived from enantiopure organic phosphorate: homochirality, water stability and proton conduction","CrystEngComm","2017","","","","","10.1039/C7CE01509G","","","0.71073","MoKα","","0.0152","0.0149","","","0.0369","0.037","","","","","","1.049","","","","has coordinates","200950","2020-10-21","18:00:00",""
"7229178","10.328","0.002","11.176","0.002","18.112","0.004","75.76","0.03","79.16","0.03","88.31","0.03","1989.9","0.8","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","9,9?-(ethyne-1,2-diyl)-bis(fluoren-9-ol) (2-methyl-2-propanol) (2-propanol) Clathrate","","- C98 H90 O10 -","- C98 H90 O10 -","- C98 H90 O10 -","1","0.5","","Sykes, Nicole Margaret; Su, Hong; Weber, Edwin; Bourne, Susan A.; Nassimbeni, Luigi","Crystallisation Temperature Control of Stoichiometry and Selectivity in Host- Guest Compounds","CrystEngComm","2017","","","","","10.1039/C7CE01414G","","","0.71073","MoKα","","0.0646","0.0451","","","0.1092","0.1195","","","","","","1.04","","","","has coordinates,has disorder","201006","2020-10-21","18:00:00",""
"7229179","9.693","0.0019","14.066","0.003","21.052","0.004","83.94","0.03","82.7","0.03","89.93","0.03","2830.9","1","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","bi 9,9?-(ethyne-1,2-diyl)-bis(fluoren-9-ol) bis (2-propanol) (chloroform) Clathrate","","- C66 H61 Cl3 O7 -","- C66 H61 Cl3 O7 -","- C132 H122 Cl6 O14 -","2","1","","Sykes, Nicole Margaret; Su, Hong; Weber, Edwin; Bourne, Susan A.; Nassimbeni, Luigi","Crystallisation Temperature Control of Stoichiometry and Selectivity in Host- Guest Compounds","CrystEngComm","2017","","","","","10.1039/C7CE01414G","","","0.71073","MoKα","","0.0559","0.0449","","","0.1118","0.1198","","","","","","1.038","","","","has coordinates","201006","2020-10-21","18:00:00",""
"7229180","10.15","0.002","10.397","0.002","18.78","0.004","104.29","0.03","94.58","0.03","96.7","0.03","1895.2","0.7","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","tri 9,9?-(ethyne-1,2-diyl)-bis(fluoren-9-ol) tetra (2-propanol) Clathrate","","- C96 H86 O10 -","- C96 H86 O10 -","- C96 H86 O10 -","1","0.5","","Sykes, Nicole Margaret; Su, Hong; Weber, Edwin; Bourne, Susan A.; Nassimbeni, Luigi","Crystallisation Temperature Control of Stoichiometry and Selectivity in Host- Guest Compounds","CrystEngComm","2017","","","","","10.1039/C7CE01414G","","","0.71073","MoKα","","0.0617","0.0463","","","0.1124","0.1223","","","","","","1.037","","","","has coordinates,has disorder","201006","2020-10-21","18:00:00",""
"7229181","9.4041","0.0019","9.4706","0.0019","12.423","0.003","111.38","0.03","96.88","0.03","95.54","0.03","1011","0.5","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","9,9?-(ethyne-1,2-diyl)-bis(fluoren-9-ol) tetra (2-methyl-2-propanoll) Clathrate","","- C44 H58 O6 -","- C44 H58 O6 -","- C44 H58 O6 -","1","0.5","","Sykes, Nicole Margaret; Su, Hong; Weber, Edwin; Bourne, Susan A.; Nassimbeni, Luigi","Crystallisation Temperature Control of Stoichiometry and Selectivity in Host- Guest Compounds","CrystEngComm","2017","","","","","10.1039/C7CE01414G","","","0.71073","MoKα","","0.086","0.0574","","","0.1363","0.1537","","","","","","1.03","","","","has coordinates","201006","2020-10-21","18:00:00",""
"7229182","10.314","0.002","18.768","0.004","20.269","0.004","83.06","0.03","81.59","0.03","82.49","0.03","3827.3","1.4","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","tri 9,9?-(ethyne-1,2-diyl)-bis(fluoren-9-ol) tetra (2-propanol) Clathrate","","- C96 H86 O10 -","- C96 H86 O10 -","- C192 H172 O20 -","2","1","","Sykes, Nicole Margaret; Su, Hong; Weber, Edwin; Bourne, Susan A.; Nassimbeni, Luigi","Crystallisation Temperature Control of Stoichiometry and Selectivity in Host- Guest Compounds","CrystEngComm","2017","","","","","10.1039/C7CE01414G","","","0.71073","MoKα","","0.1071","0.0576","","","0.1313","0.1543","","","","","","1.029","","","","has coordinates","201006","2020-10-21","18:00:00",""
"7229183","8.5974","0.0017","9.1212","0.0018","11.602","0.002","92.96","0.03","102.02","0.03","117.04","0.03","781.3","0.4","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","9,9?-(ethyne-1,2-diyl)-bis(fluoren-9-ol) bis (tert-butanol) Clathrate","","- C36 H38 O4 -","- C36 H38 O4 -","- C36 H38 O4 -","1","0.5","","Sykes, Nicole Margaret; Su, Hong; Weber, Edwin; Bourne, Susan A.; Nassimbeni, Luigi","Crystallisation Temperature Control of Stoichiometry and Selectivity in Host- Guest Compounds","CrystEngComm","2017","","","","","10.1039/C7CE01414G","","","0.71073","MoKα","","0.0553","0.049","","","0.1324","0.1381","","","","","","1.058","","","","has coordinates","201006","2020-10-21","18:00:00",""
"7229184","8.778","0.008","10.165","0.009","10.918","0.009","78.86","0.02","69.57","0.03","72.29","0.04","865.5","1.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H6 F3 N3 O2 -","- C6 H6 F3 N3 O2 -","- C24 H24 F12 N12 O8 -","4","2","","Valdo, Ana Karoline Silva Medanha; Sarotti, Ariel Marcelo; Martins, Felipe Terra","Synthon trends according to acid strength and geometry in salts of N-heterocyclic bases","CrystEngComm","2017","","","","","10.1039/C7CE01490B","","","0.71073","MoKα","","0.1914","0.0804","","","0.2085","0.2692","","","","","","1.027","","","","has coordinates,has disorder","201007","2020-10-21","18:00:00",""
"7229185","21.414","0.0016","9.4256","0.0009","9.4548","0.0007","90","","99.38","0.005","90","","1882.8","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H19 N2 O12 P3 -","- C12 H19 N2 O12 P3 -","- C48 H76 N8 O48 P12 -","4","0.5","","Valdo, Ana Karoline Silva Medanha; Sarotti, Ariel Marcelo; Martins, Felipe Terra","Synthon trends according to acid strength and geometry in salts of N-heterocyclic bases","CrystEngComm","2017","","","","","10.1039/C7CE01490B","","","0.71073","MoKα","","0.0599","0.0435","","","0.1031","0.1143","","","","","","1.037","","","","has coordinates","201007","2020-10-21","18:00:00",""
"7229186","13.6957","0.0003","5.5311","0.0001","14.345","0.0003","90","","109.224","0.001","90","","1026.07","0.04","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H6 Cl3 N3 O2 -","- C6 H6 Cl3 N3 O2 -","- C24 H24 Cl12 N12 O8 -","4","1","","Valdo, Ana Karoline Silva Medanha; Sarotti, Ariel Marcelo; Martins, Felipe Terra","Synthon trends according to acid strength and geometry in salts of N-heterocyclic bases","CrystEngComm","2017","","","","","10.1039/C7CE01490B","","","0.71073","MoKα","","0.0436","0.0369","","","0.0938","0.1012","","","","","","1.049","","","","has coordinates","201007","2020-10-21","18:00:00",""
"7229187","4.5002","0.0002","8.7726","0.0003","19.7107","0.0008","90","","90","","90","","778.15","0.05","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C4 H8 N3 O4 P -","- C4 H8 N3 O4 P -","- C16 H32 N12 O16 P4 -","4","1","","Valdo, Ana Karoline Silva Medanha; Sarotti, Ariel Marcelo; Martins, Felipe Terra","Synthon trends according to acid strength and geometry in salts of N-heterocyclic bases","CrystEngComm","2017","","","","","10.1039/C7CE01490B","","","0.71073","MoKα","","0.0293","0.0279","","","0.068","0.0687","","","","","","1.065","","","","has coordinates","201007","2020-10-21","18:00:00",""
"7229188","9.264","0.0007","4.7949","0.0003","17.7033","0.0013","90","","90.536","0.002","90","","786.35","0.1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 N2 O8 P2 -","- C12 H16 N2 O8 P2 -","- C24 H32 N4 O16 P4 -","2","0.5","","Valdo, Ana Karoline Silva Medanha; Sarotti, Ariel Marcelo; Martins, Felipe Terra","Synthon trends according to acid strength and geometry in salts of N-heterocyclic bases","CrystEngComm","2017","","","","","10.1039/C7CE01490B","","","0.71073","MoKα","","0.0616","0.0477","","","0.1116","0.1193","","","","","","1.076","","","","has coordinates","201007","2020-10-21","18:00:00",""
"7229189","5.0554","0.0009","7.5644","0.0013","9.029","0.0014","72.096","0.011","79.191","0.011","80.625","0.011","320.68","0.1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H6 Br N3 -","- C4 H6 Br N3 -","- C8 H12 Br2 N6 -","2","1","","Valdo, Ana Karoline Silva Medanha; Sarotti, Ariel Marcelo; Martins, Felipe Terra","Synthon trends according to acid strength and geometry in salts of N-heterocyclic bases","CrystEngComm","2017","","","","","10.1039/C7CE01490B","","","0.71073","MoKα","","0.031","0.0259","","","0.0623","0.0642","","","","","","1.088","","","","has coordinates","201007","2020-10-21","18:00:00",""
"7229190","9.0017","0.0007","21.128","0.002","11.7627","0.0009","90","","90.617","0.005","90","","2237","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H13 N3 O4 S -","- C7 H13 N3 O4 S -","- C56 H104 N24 O32 S8 -","8","2","","Valdo, Ana Karoline Silva Medanha; Sarotti, Ariel Marcelo; Martins, Felipe Terra","Synthon trends according to acid strength and geometry in salts of N-heterocyclic bases","CrystEngComm","2017","","","","","10.1039/C7CE01490B","","","1.54178","CuKα","","0.1262","0.0923","","","0.2829","0.3268","","","","","","1.274","","","","has coordinates,has disorder","201007","2020-10-21","18:00:00",""
"7229191","4.9992","0.0004","7.3893","0.0007","8.8313","0.0008","72.451","0.006","78.656","0.005","79.41","0.006","302.26","0.05","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H6 Cl N3 -","- C4 H6 Cl N3 -","- C8 H12 Cl2 N6 -","2","1","","Valdo, Ana Karoline Silva Medanha; Sarotti, Ariel Marcelo; Martins, Felipe Terra","Synthon trends according to acid strength and geometry in salts of N-heterocyclic bases","CrystEngComm","2017","","","","","10.1039/C7CE01490B","","","0.71073","MoKα","","0.0818","0.0631","","","0.2025","0.2115","","","","","","1.179","","","","has coordinates","201007","2020-10-21","18:00:00",""
"7229192","5.1052","0.0008","10.2491","0.0015","12.6953","0.0018","90","","93.053","0.002","90","","663.32","0.17","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Br2 N2 -","- C12 H12 Br2 N2 -","- C24 H24 Br4 N4 -","2","0.5","","Valdo, Ana Karoline Silva Medanha; Sarotti, Ariel Marcelo; Martins, Felipe Terra","Synthon trends according to acid strength and geometry in salts of N-heterocyclic bases","CrystEngComm","2017","","","","","10.1039/C7CE01490B","","","0.71073","MoKα","","0.0444","0.0367","","","0.0993","0.105","","","","","","1.057","","","","has coordinates","201007","2020-10-21","18:00:00",""
"7229193","21.9269","0.001","23.8222","0.0011","8.202","0.0002","90","","96.821","0.003","90","","4254","0.3","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H29 N5 O9 Zn2 -","- C37 H22 N4 O8 Zn2 -","- C148 H88 N16 O32 Zn8 -","4","1","","Burrows, Andrew D.; Chan, Siobhan; Gee, William J.; Mahon, Mary F.; Richardson, Christopher; Sebestyen, Viorica M.; Turski, Domenyk; Warren, Mark R.","The impact of N,N′-ditopic ligand length and geometry on the structures of zinc-based mixed-linker metal‒organic frameworks","CrystEngComm","2017","","","","","10.1039/C7CE01447C","","x-ray","0.71073","MoKα","","0.0943","0.0677","","","0.1641","0.181","","","","","","1.03","","","","has coordinates,has disorder","201008","2020-10-21","18:00:00",""
"7229194","10.04","0.006","29.598","0.017","17.153","0.011","90","","102.762","0.005","90","","4971","5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H39 N9 O9 Zn2 -","- C45.5 H35.5 N8.5 O8.5 Zn2 -","- C182 H142 N34 O34 Zn8 -","4","1","","Burrows, Andrew D.; Chan, Siobhan; Gee, William J.; Mahon, Mary F.; Richardson, Christopher; Sebestyen, Viorica M.; Turski, Domenyk; Warren, Mark R.","The impact of N,N′-ditopic ligand length and geometry on the structures of zinc-based mixed-linker metal‒organic frameworks","CrystEngComm","2017","","","","","10.1039/C7CE01447C","","","0.6889","Synchrotron","","0.0831","0.074","","","0.1986","0.2075","","","","","","1.061","","","","has coordinates,has disorder","201008","2020-10-21","18:00:00",""
"7229195","21.757","0.0004","21.757","0.0004","34.6535","0.0011","90","","90","","90","","16403.8","0.7","200","0.1","200","0.1","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C49 H50 N8 O12 Zn2 -","- C37 H22 N4 O8 Zn2 -","- C296 H176 N32 O64 Zn16 -","8","0.25","","Burrows, Andrew D.; Chan, Siobhan; Gee, William J.; Mahon, Mary F.; Richardson, Christopher; Sebestyen, Viorica M.; Turski, Domenyk; Warren, Mark R.","The impact of N,N′-ditopic ligand length and geometry on the structures of zinc-based mixed-linker metal‒organic frameworks","CrystEngComm","2017","","","","","10.1039/C7CE01447C","","x-ray","1.54184","CuKα","","0.1381","0.1169","","","0.3989","0.4342","","","","","","1.704","","","","has coordinates,has disorder","201008","2020-10-21","18:00:00",""
"7229196","10.144","0.0001","13.976","0.0001","16.192","0.0002","90","","90","","90","","2295.58","0.04","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H21 N5 O5 Zn -","- C24 H21 N5 O5 Zn -","- C96 H84 N20 O20 Zn4 -","4","1","","Burrows, Andrew D.; Chan, Siobhan; Gee, William J.; Mahon, Mary F.; Richardson, Christopher; Sebestyen, Viorica M.; Turski, Domenyk; Warren, Mark R.","The impact of N,N′-ditopic ligand length and geometry on the structures of zinc-based mixed-linker metal‒organic frameworks","CrystEngComm","2017","","","","","10.1039/C7CE01447C","","","0.71073","MoKα","","0.0317","0.0282","","","0.0664","0.0679","","","","","","1.052","","","","has coordinates,has disorder","201008","2020-10-21","18:00:00",""
"7229197","8.192","0.0002","16.433","0.0004","16.444","0.0004","93.714","0.001","99.822","0.001","99.807","0.001","2139.3","0.09","150","2","150.15","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H29 N5 O9 Zn2 -","- C37 H21 N4 O8 Zn2 -","- C74 H42 N8 O16 Zn4 -","2","1","","Burrows, Andrew D.; Chan, Siobhan; Gee, William J.; Mahon, Mary F.; Richardson, Christopher; Sebestyen, Viorica M.; Turski, Domenyk; Warren, Mark R.","The impact of N,N′-ditopic ligand length and geometry on the structures of zinc-based mixed-linker metal‒organic frameworks","CrystEngComm","2017","","","","","10.1039/C7CE01447C","","","0.71073","MoKα","","0.0941","0.0488","","","0.1306","0.1493","","","","","","1.041","","","","has coordinates,has disorder","201008","2020-10-21","18:00:00",""
"7229198","18.532","0.002","20.3541","0.0015","20.561","0.002","116.099","0.008","112.218","0.01","97.506","0.007","6022.3","1.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C112 H92 N20 O20 Zn4 -","- C100 H64 N16 O16 Zn4 -","- C200 H128 N32 O32 Zn8 -","2","1","","Burrows, Andrew D.; Chan, Siobhan; Gee, William J.; Mahon, Mary F.; Richardson, Christopher; Sebestyen, Viorica M.; Turski, Domenyk; Warren, Mark R.","The impact of N,N′-ditopic ligand length and geometry on the structures of zinc-based mixed-linker metal‒organic frameworks","CrystEngComm","2017","","","","","10.1039/C7CE01447C","","","0.71073","MoKα","","0.2341","0.1463","","","0.3576","0.4158","","","","","","0.978","","","","has coordinates,has disorder","201008","2020-10-21","18:00:00",""
"7229199","16.552","0.0002","18.864","0.0002","29.433","0.0003","90","","90","","90","","9190.07","0.17","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C96 H84 N20 O20 Zn4 -","- C96 H84 N20 O20 Zn4 -","- C384 H336 N80 O80 Zn16 -","4","1","","Burrows, Andrew D.; Chan, Siobhan; Gee, William J.; Mahon, Mary F.; Richardson, Christopher; Sebestyen, Viorica M.; Turski, Domenyk; Warren, Mark R.","The impact of N,N′-ditopic ligand length and geometry on the structures of zinc-based mixed-linker metal‒organic frameworks","CrystEngComm","2017","","","","","10.1039/C7CE01447C","","","0.71073","MoKα","","0.0651","0.0389","","","0.0715","0.0782","","","","","","1.061","","","","has coordinates,has disorder","201008","2020-10-21","18:00:00",""
"7229200","17.3078","0.0006","9.5123","0.0003","13.6988","0.0005","90","","107.821","0.004","90","","2147.11","0.14","130","2","130","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H12 Br8 N2 Te -","- C10 H12 Br8 N2 Te -","- C40 H48 Br32 N8 Te4 -","4","0.5","","Usoltsev, Andrey N.; Adonin, Sergey A.; Novikov, Alexander S.; Samsonenko, Denis G.; Sokolov, Maksim Nailyevich; Fedin, Vladimir P.","One-dimensional polymeric polybromotellurates (IV): structural and theoretical insights into halogen···halogen contacts","CrystEngComm","2017","","","","","10.1039/C7CE01487B","","x-ray","0.71073","MoKα","","0.0254","0.0211","","","0.0443","0.0457","","","","","","1.06","","","","has coordinates","201010","2020-10-21","18:00:00",""
"7229201","9.46401","0.00016","9.46401","0.00016","25.7682","0.0007","90","","90","","90","","2307.99","0.08","130","2","130","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C12 H16 Br8 N2 Te -","- C12 H16 Br8 N2 Te -","- C48 H64 Br32 N8 Te4 -","4","0.5","","Usoltsev, Andrey N.; Adonin, Sergey A.; Novikov, Alexander S.; Samsonenko, Denis G.; Sokolov, Maksim Nailyevich; Fedin, Vladimir P.","One-dimensional polymeric polybromotellurates (IV): structural and theoretical insights into halogen···halogen contacts","CrystEngComm","2017","","","","","10.1039/C7CE01487B","","x-ray","0.71073","MoKα","","0.0236","0.0199","","","0.0337","0.0346","","","","","","1.054","","","","has coordinates","201010","2020-10-21","18:00:00",""
"7229202","9.17057","0.00017","15.7027","0.0003","17.5191","0.0004","76.7399","0.0017","79.5106","0.0017","74.9556","0.0016","2351.14","0.09","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H16 Br8 N2 Te -","- C12 H16 Br8 N2 Te -","- C48 H64 Br32 N8 Te4 -","4","2","","Usoltsev, Andrey N.; Adonin, Sergey A.; Novikov, Alexander S.; Samsonenko, Denis G.; Sokolov, Maksim Nailyevich; Fedin, Vladimir P.","One-dimensional polymeric polybromotellurates (IV): structural and theoretical insights into halogen···halogen contacts","CrystEngComm","2017","","","","","10.1039/C7CE01487B","","x-ray","0.71073","MoKα","","0.0444","0.0291","","","0.0541","0.0594","","","","","","1.055","","","","has coordinates","201010","2020-10-21","18:00:00",""
"7229203","14.9365","0.0009","11.352","0.0006","15.1862","0.001","90","","113.086","0.008","90","","2368.7","0.3","130","2","130","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C12 H16 Br8 N2 Te -","- C12 H16 Br8 N2 Te -","- C48 H64 Br32 N8 Te4 -","4","0.5","","Usoltsev, Andrey N.; Adonin, Sergey A.; Novikov, Alexander S.; Samsonenko, Denis G.; Sokolov, Maksim Nailyevich; Fedin, Vladimir P.","One-dimensional polymeric polybromotellurates (IV): structural and theoretical insights into halogen···halogen contacts","CrystEngComm","2017","","","","","10.1039/C7CE01487B","","x-ray","0.71073","MoKα","","0.0257","0.021","","","0.0446","0.0461","","","","","","1.065","","","","has coordinates,has disorder","201010","2020-10-21","18:00:00",""
"7229204","8.5539","0.0004","16.2583","0.0008","7.3347","0.0003","90","","93.656","0.004","90","","1017.97","0.08","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 Br6 N2 Te -","- C12 H16 Br6 N2 Te -","- C24 H32 Br12 N4 Te2 -","2","0.5","","Usoltsev, Andrey N.; Adonin, Sergey A.; Novikov, Alexander S.; Samsonenko, Denis G.; Sokolov, Maksim Nailyevich; Fedin, Vladimir P.","One-dimensional polymeric polybromotellurates (IV): structural and theoretical insights into halogen···halogen contacts","CrystEngComm","2017","","","","","10.1039/C7CE01487B","","x-ray","0.71073","MoKα","","0.0344","0.0286","","","0.0605","0.0623","","","","","","1.076","","","","has coordinates","201010","2020-10-21","18:00:00",""
"7229212","14.2627","0.0004","13.4623","0.0005","9.8745","0.0007","90","","90","","90","","1895.99","0.16","210","2","210","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","(μ-formato)-(μ-hydroxo)-2-trifluoromethyl-imidazolate-zinc(II) dimethylformamide hemisolvate","","- C6 H6.5 F3 N2.5 O2 Zn -","- C6 H6.5 F3 N2.5 O2 Zn -","- C48 H52 F24 N20 O16 Zn8 -","8","1","","Holdt, Hans-Jurgen; Mondal, Suvendu Sekhar; Hovestadt, Maximilian; Dey, Subarna; Paula, Carolin; Glomb, Sebastian; Kelling, Alexandra; Schilde, Uwe; Janiak, Christoph; Hartmann, Martin","Synthesis of a partially fluorinated ZIF-8 analog for ethane/ethene separation","CrystEngComm","2017","","","","","10.1039/C7CE01438D","","","0.71073","MoKα","","0.0274","0.024","","","0.065","0.067","","","","","","1.01","","","","has coordinates,has disorder","201094","2020-10-21","18:00:00",""
"7229213","17.0786","0.0006","17.0786","0.0006","17.0786","0.0006","90","","90","","90","","4981.5","0.3","180","2","180","2","","","","","","","","6","I -4 3 m","I -4 2 3","217","","(2-methyl-imidazolate)-(2-trifluoromethyl-imidazolate)-zinc(II) dimethylformamide solvate","","- C18 H24.5 F4.5 N8 O2 Zn1.5 -","- C12 H6 F2.25 N6 Zn1.5 -","- C96 H48 F18 N48 Zn12 -","8","0.166667","","Holdt, Hans-Jurgen; Mondal, Suvendu Sekhar; Hovestadt, Maximilian; Dey, Subarna; Paula, Carolin; Glomb, Sebastian; Kelling, Alexandra; Schilde, Uwe; Janiak, Christoph; Hartmann, Martin","Synthesis of a partially fluorinated ZIF-8 analog for ethane/ethene separation","CrystEngComm","2017","","","","","10.1039/C7CE01438D","","","0.71073","MoKα","","0.045","0.0383","","","0.0976","0.1003","","","","","","1.143","","","","has coordinates","201094","2020-10-21","18:00:00",""
"7229214","18.519","0.0003","25.5918","0.0005","17.2622","0.0003","90","","90","","90","","8181.2","0.3","123","2","123","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C88 H60 Cl8 N12 O1.44 Zn4 -","- C88 H60 Cl8 N12 O1.444 Zn4 -","- C352 H240 Cl32 N48 O5.776 Zn16 -","4","0.25","","Tian, Xiao-Yun; Zhou, Hao-Long; Fang, Xin; Mo, Zong-Wen; Xu, Yantong; Zhou, Dong-Dong; Zhang, Jie-Peng","Diverse coordination polymers from a new bent dipyridyl type ligand 3,6-di(pyridin-4-yl)-9H-carbazole","CrystEngComm","2017","","","","","10.1039/C7CE01483J","","","1.54184","CuKα","","0.0342","0.0332","","","0.0928","0.0941","","","","","","1.047","","","","has coordinates,has disorder","201095","2020-10-21","18:00:00",""
"7229215","23.5121","0.0008","7.7408","0.0003","15.3224","0.0005","90","","118.548","0.003","90","","2449.65","0.16","156","2","156","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C50 H50 F7 N8 O5 P Zn -","- C50 H50 F7 N8 O5 P Zn -","- C100 H100 F14 N16 O10 P2 Zn2 -","2","0.5","","Tian, Xiao-Yun; Zhou, Hao-Long; Fang, Xin; Mo, Zong-Wen; Xu, Yantong; Zhou, Dong-Dong; Zhang, Jie-Peng","Diverse coordination polymers from a new bent dipyridyl type ligand 3,6-di(pyridin-4-yl)-9H-carbazole","CrystEngComm","2017","","","","","10.1039/C7CE01483J","","","1.54178","CuKα","","0.0291","0.029","","","0.0796","0.0797","","","","","","1.061","","","","has coordinates","201095","2020-10-21","18:00:00",""
"7229216","9.06863","0.00011","15.7253","0.00018","13.52583","0.00016","90","","101.215","0.0012","90","","1892.04","0.04","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 Cl2 N3 Zn -","- C22 H15 Cl2 N3 Zn -","- C88 H60 Cl8 N12 Zn4 -","4","1","","Tian, Xiao-Yun; Zhou, Hao-Long; Fang, Xin; Mo, Zong-Wen; Xu, Yantong; Zhou, Dong-Dong; Zhang, Jie-Peng","Diverse coordination polymers from a new bent dipyridyl type ligand 3,6-di(pyridin-4-yl)-9H-carbazole","CrystEngComm","2017","","","","","10.1039/C7CE01483J","","","1.54184","CuKα","","0.0394","0.038","","","0.1025","0.1069","","","","","","1.065","","","","has coordinates","201095","2020-10-21","18:00:00",""
"7229217","26.5001","0.0006","7.7383","0.0001","27.4332","0.0007","90","","112.066","0.003","90","","5213.5","0.2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H30 F6 N6 Si Zn -","- C44 H30 F6 N6 Si Zn -","- C176 H120 F24 N24 Si4 Zn4 -","4","0.5","","Tian, Xiao-Yun; Zhou, Hao-Long; Fang, Xin; Mo, Zong-Wen; Xu, Yantong; Zhou, Dong-Dong; Zhang, Jie-Peng","Diverse coordination polymers from a new bent dipyridyl type ligand 3,6-di(pyridin-4-yl)-9H-carbazole","CrystEngComm","2017","","","","","10.1039/C7CE01483J","","","1.54178","CuKα","","0.0571","0.053","","","0.1627","0.165","","","","","","1.088","","","","has coordinates","201095","2020-10-21","18:00:00",""
"7229218","4.8911","0.0006","10.0848","0.0012","11.8785","0.0013","95.772","0.009","96.25","0.009","103.656","0.01","561.11","0.12","295","","295","","","","","","","","","6","P -1","-P 1","2","","","","- C6 H13 Br Ca0.5 N3 O4 -","- C6 H13 Br Ca0.5 N3 O4 -","- C12 H26 Br2 Ca N6 O8 -","2","1","","Shemchuk, Oleksii; Degli Esposti, Lorenzo; Grepioni, Fabrizia; Braga, Dario","Ionic co-crystals of enantiopure and racemic histidine with calcium halides","CrystEngComm","2017","","","","","10.1039/C7CE01326D","","x-ray","0.71073","MoKα","","0.1304","0.0938","","","0.2379","0.2683","","","","","","1.071","","","","has coordinates","201157","2020-10-21","18:00:00",""
"7229219","20.9187","0.0019","5.1257","0.0005","11.118","0.0007","90","","115.051","0.006","90","","1079.97","0.17","295","","295","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C12 H24 Br2 Ca N6 O7 -","- C12 H24 Br2 Ca N6 O7 -","- C24 H48 Br4 Ca2 N12 O14 -","2","0.5","","Shemchuk, Oleksii; Degli Esposti, Lorenzo; Grepioni, Fabrizia; Braga, Dario","Ionic co-crystals of enantiopure and racemic histidine with calcium halides","CrystEngComm","2017","","","","","10.1039/C7CE01326D","","x-ray","0.71073","MoKα","","0.0739","0.0499","","","0.1","0.1184","","","","","","1.028","","","","has coordinates","201157","2020-10-21","18:00:00",""
"7229220","4.9123","0.0006","20.333","0.002","23.505","0.003","90","","90","","90","","2347.7","0.5","293","2","293","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C12 H24 Ca I2 N6 O7 -","- C12 H24 Ca I2 N6 O7 -","- C48 H96 Ca4 I8 N24 O28 -","4","0.5","","Shemchuk, Oleksii; Degli Esposti, Lorenzo; Grepioni, Fabrizia; Braga, Dario","Ionic co-crystals of enantiopure and racemic histidine with calcium halides","CrystEngComm","2017","","","","","10.1039/C7CE01326D","","","0.71073","MoKα","","0.1619","0.0698","","","0.0831","0.1058","","","","","","1.038","","","","has coordinates","201157","2020-10-21","18:00:00",""
"7229221","4.90323","0.00009","10.54663","0.00002","11.9651","0.0003","94.539","0.00013","95.9258","0.00013","102.703","0.0013","597.058","0.019","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H18 Ca I2 N6 O8 -","- C12 H18 Ca0.5 I2 N6 O8 -","- C12 H18 Ca0.5 I2 N6 O8 -","1","0.5","","Shemchuk, Oleksii; Degli Esposti, Lorenzo; Grepioni, Fabrizia; Braga, Dario","Ionic co-crystals of enantiopure and racemic histidine with calcium halides","CrystEngComm","2017","","","","","10.1039/C7CE01326D","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","0.0331","1.55828","","","","","","","has coordinates","201157","2020-10-21","18:00:00",""
"7229222","20.6509","0.0011","5.1087","0.0003","10.788","0.0005","90","","114.287","0.004","90","","1037.4","0.1","295","","295","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C12 H24 Ca Cl2 N6 O7 -","- C12 H24 Ca Cl2 N6 O7 -","- C24 H48 Ca2 Cl4 N12 O14 -","2","0.5","","Shemchuk, Oleksii; Degli Esposti, Lorenzo; Grepioni, Fabrizia; Braga, Dario","Ionic co-crystals of enantiopure and racemic histidine with calcium halides","CrystEngComm","2017","","","","","10.1039/C7CE01326D","","x-ray","0.71073","MoKα","","0.0527","0.039","","","0.0986","0.1306","","","","","","0.745","","","","has coordinates","201157","2020-10-21","18:00:00",""
"7229223","18.8783","0.0004","5.09053","0.00011","10.7999","0.0003","90","","97.8572","0.0013","90","","1028.13","0.04","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H21 Ca Cl2 N6 O7 -","- C12 H18 Ca Cl2 N6 O7 -","- C24 H36 Ca2 Cl4 N12 O14 -","2","0.5","","Shemchuk, Oleksii; Degli Esposti, Lorenzo; Grepioni, Fabrizia; Braga, Dario","Ionic co-crystals of enantiopure and racemic histidine with calcium halides","CrystEngComm","2017","","","","","10.1039/C7CE01326D","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","0.0257","3.53882","","","","","","","has coordinates","201157","2020-10-21","18:00:00",""
"7229224","16.7254","0.0003","4.87733","0.00007","14.9091","0.0002","90","","97.3744","0.0009","90","","1206.15","0.03","298","","298","","","","","","","","","6","I 1 2 1","I 2y","5","","","","- C12 H26 Ca I2 N6 O8 -","- C12 H18 Ca I2 N6 O8 -","- C24 H36 Ca2 I4 N12 O16 -","2","0.5","","Shemchuk, Oleksii; Degli Esposti, Lorenzo; Grepioni, Fabrizia; Braga, Dario","Ionic co-crystals of enantiopure and racemic histidine with calcium halides","CrystEngComm","2017","","","","","10.1039/C7CE01326D","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","0.0277","1.44467","","","","","","","has coordinates","201157","2020-10-21","18:00:00",""
"7229231","33.5891","0.0007","33.5891","0.0007","35.8422","0.0009","90","","90","","90","","40438.2","1.6","173","2","173","2","","","","","","","","4","I 41 2 2","I 4bw 2bw","98","calixsalen","","","- C84 H104 N12 O17.5 -","- C84 H104 N12 O17.5 -","- C1344 H1664 N192 O280 -","16","1","","Petryk, Małgorzata; Janiak, Agnieszka; Kwit, Marcin","Unexpected formation of a tubular architecture by optically active pure organic calixsalen","CrystEngComm","2017","","","","","10.1039/C7CE01529A","","","1.54178","CuKα","","0.0647","0.0588","","","0.1695","0.1761","","","","","","1.047","","","","has coordinates,has disorder","201248","2020-10-21","18:00:00",""
"7229247","20.4135","0.0008","8.9845","0.0004","23.0411","0.0009","90","","92.499","0.003","90","","4221.8","0.3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Zinc diphosphonate ethelenediamine","","","- C6 H18 N2 O15 P4 S0 Zn3 -","- C6 H18 N2 O15 P4 Zn3 -","- C48 H144 N16 O120 P32 Zn24 -","8","1","","Paul, Avijit Kumar; Kanagaraj, Rajendiran; Jana, Ajay; Maji, Pradip","Novel Amine Templated Three-Dimensional Zinc-Organophosphonates with Variable Pore-Openings","CrystEngComm","2017","","","","","10.1039/C7CE00994A","","","0.71073","MoKα","","0.0859","0.0732","","","0.1702","0.1805","","","","","","1.051","","","","has coordinates","201290","2020-10-21","18:00:00",""
"7229248","18.117","0.0004","9.8448","0.0003","10.7798","0.0003","90","","90","","90","","1922.67","0.09","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","Zinc diphosphonate 1,3-diaminopropane","","","- C7 H20 N2 O14 P4 Zn3 -","- C7 H20 N2 O14 P4 Zn3 -","- C28 H80 N8 O56 P16 Zn12 -","4","0.5","","Paul, Avijit Kumar; Kanagaraj, Rajendiran; Jana, Ajay; Maji, Pradip","Novel Amine Templated Three-Dimensional Zinc-Organophosphonates with Variable Pore-Openings","CrystEngComm","2017","","","","","10.1039/C7CE00994A","","","0.71073","MoKα","","0.0361","0.0271","","","0.0768","0.0978","","","","","","1.041","","","","has coordinates","201290","2020-10-21","18:00:00",""
"7229249","10.2729","0.0003","18.1781","0.0005","10.7119","0.0003","90","","90","","90","","2000.36","0.1","296","2","296","2","","","","","","","","6","A e a 2","A 2 -2ab","41","Zinc diphosphonate dabco","","","- C10 H20 N2 O14 P4 Zn3 -","- C10 H20 N2 O14 P4 Zn3 -","- C40 H80 N8 O56 P16 Zn12 -","4","0.5","","Paul, Avijit Kumar; Kanagaraj, Rajendiran; Jana, Ajay; Maji, Pradip","Novel Amine Templated Three-Dimensional Zinc-Organophosphonates with Variable Pore-Openings","CrystEngComm","2017","","","","","10.1039/C7CE00994A","","","0.71073","MoKα","","0.0308","0.0285","","","0.0794","0.0929","","","","","","1.152","","","","has coordinates","201290","2020-10-21","18:00:00",""
"7229250","18.1736","0.0007","9.9376","0.0006","10.3543","0.0004","90","","90","","90","","1870.01","0.15","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","Zinc diphosphonate 1,2 diaminopropane","","","- C7 H17 N3 O14 P4 Zn3 -","- C7 H17 N3 O14 P4 Zn3 -","- C28 H68 N12 O56 P16 Zn12 -","4","0.5","","Paul, Avijit Kumar; Kanagaraj, Rajendiran; Jana, Ajay; Maji, Pradip","Novel Amine Templated Three-Dimensional Zinc-Organophosphonates with Variable Pore-Openings","CrystEngComm","2017","","","","","10.1039/C7CE00994A","","","0.71073","MoKα","","0.0663","0.0503","","","0.1075","0.1147","","","","","","1.056","","","","has coordinates","201290","2020-10-21","18:00:00",""
"7229251","20.3473","0.0005","9.1752","0.0002","23.2486","0.0005","90","","91.254","0.001","90","","4339.25","0.17","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Zinc diphosphonate diethelenetriamine","","","- C8 H22 N3 O14 P4 Zn3 -","- C8 H22 N3 O14 P4 Zn3 -","- C64 H176 N24 O112 P32 Zn24 -","8","1","","Paul, Avijit Kumar; Kanagaraj, Rajendiran; Jana, Ajay; Maji, Pradip","Novel Amine Templated Three-Dimensional Zinc-Organophosphonates with Variable Pore-Openings","CrystEngComm","2017","","","","","10.1039/C7CE00994A","","","0.71073","MoKα","","0.0407","0.0365","","","0.1078","0.1104","","","","","","1.076","","","","has coordinates","201290","2020-10-21","18:00:00",""
"7229259","14.3729","0.0013","8.8781","0.0006","10.6958","0.0008","90","","103.755","0.008","90","","1325.69","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H10 Cu2 N8 S2 -","- C6 H10 Cu2 N8 S2 -","- C24 H40 Cu8 N32 S8 -","4","1","","Tao, Ye; Li, You; Pang, Xuhong; Li, Haiye; Huang, Fu-Ping; Qin, Huangfei; Bian, He-Dong","Four CuI(ett) Coordination polymorphs and Changes in XRD Upon Hydrothermal Condition Optimization","CrystEngComm","2017","","","","","10.1039/C7CE01595J","","","0.7107","MoKα","","0.0397","0.0329","","","0.0856","0.09","","","","","","1.045","","","","has coordinates,has disorder","201540","2020-10-21","18:00:00",""
"7229260","8.8733","0.0006","6.4879","0.0002","10.8539","0.0009","90","","105.551","0.008","90","","601.97","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3 H5 Cu N4 S -","- C3 H5 Cu N4 S -","- C12 H20 Cu4 N16 S4 -","4","1","","Tao, Ye; Li, You; Pang, Xuhong; Li, Haiye; Huang, Fu-Ping; Qin, Huangfei; Bian, He-Dong","Four CuI(ett) Coordination polymorphs and Changes in XRD Upon Hydrothermal Condition Optimization","CrystEngComm","2017","","","","","10.1039/C7CE01595J","","","0.7107","MoKα","","0.04","0.0312","","","0.06","0.0675","","","","","","1.057","","","","has coordinates","201540","2020-10-21","18:00:00",""
"7229261","10.8318","0.0005","6.4924","0.0003","17.1002","0.0007","90","","90","","90","","1202.56","0.09","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C6 H10 Cu2 N8 S2 -","- C6 H10 Cu2 N8 S2 -","- C24 H40 Cu8 N32 S8 -","4","1","","Tao, Ye; Li, You; Pang, Xuhong; Li, Haiye; Huang, Fu-Ping; Qin, Huangfei; Bian, He-Dong","Four CuI(ett) Coordination polymorphs and Changes in XRD Upon Hydrothermal Condition Optimization","CrystEngComm","2017","","","","","10.1039/C7CE01595J","","","0.7107","MoKα","","0.048","0.0464","","","0.1118","0.1144","","","","","","1.084","","","","has coordinates","201540","2020-10-21","18:00:00",""
"7229262","9.5028","0.0003","10.7121","0.0004","11.9937","0.0004","90","","90","","90","","1220.9","0.07","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C4.74 H6.84 Cu2 N8 S2 -","- C4.728 H6.82 Cu2 N8 S2 -","- C18.912 H27.28 Cu8 N32 S8 -","4","0.5","","Tao, Ye; Li, You; Pang, Xuhong; Li, Haiye; Huang, Fu-Ping; Qin, Huangfei; Bian, He-Dong","Four CuI(ett) Coordination polymorphs and Changes in XRD Upon Hydrothermal Condition Optimization","CrystEngComm","2017","","","","","10.1039/C7CE01595J","","","0.71073","MoKα","","0.0927","0.0875","","","0.2005","0.2028","","","","","","1.247","","","","has coordinates,has disorder","201540","2020-10-21","18:00:00",""
"7229265","4.497","0.0004","15.1154","0.0013","9.5745","0.0008","90","","92.781","0.002","90","","650.05","0.1","273","","273","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Cd2 O12 Se4 Sr2 -","- Cd2 O12 Se4 Sr2 -","- Cd4 O24 Se8 Sr4 -","2","0.5","","Jia, Ying-Jie; Chen, Yi-Gang; Yao, Xiao-Ni; Zhang, Xian-Ming","Alkali Earth MOx (x=6, 7, 9, 12) Polyhedra Tuned Cadmium Selenites with Different Dimensions and Diverse SeO32-Coordinations","CrystEngComm","2017","","","","","10.1039/C7CE01461A","","","0.71073","MoKα","","0.0433","0.0428","","","0.1161","0.1166","","","","","","1.176","","","","has coordinates","201573","2020-10-21","18:00:00",""
"7229266","8.2921","0.0018","8.4207","0.0019","9.514","0.002","86.019","0.005","64.762","0.004","78.498","0.005","588.7","0.2","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- Cd3 Mg O12 Se4 -","- Cd3 Mg O12 Se4 -","- Cd6 Mg2 O24 Se8 -","2","1","","Jia, Ying-Jie; Chen, Yi-Gang; Yao, Xiao-Ni; Zhang, Xian-Ming","Alkali Earth MOx (x=6, 7, 9, 12) Polyhedra Tuned Cadmium Selenites with Different Dimensions and Diverse SeO32-Coordinations","CrystEngComm","2017","","","","","10.1039/C7CE01461A","","","0.71073","MoKα","","0.0556","0.0487","","","0.1348","0.1412","","","","","","1.056","","","","has coordinates","201573","2020-10-21","18:00:00",""
"7229267","16.5983","0.0018","5.4518","0.0006","7.1154","0.0008","90","","90","","90","","643.88","0.12","273","","273","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba2 Cd2 O12 Se4 -","- Ba2 Cd2 O12 Se4 -","- Ba4 Cd4 O24 Se8 -","2","0.25","","Jia, Ying-Jie; Chen, Yi-Gang; Yao, Xiao-Ni; Zhang, Xian-Ming","Alkali Earth MOx (x=6, 7, 9, 12) Polyhedra Tuned Cadmium Selenites with Different Dimensions and Diverse SeO32-Coordinations","CrystEngComm","2017","","","","","10.1039/C7CE01461A","","","0.71073","MoKα","","0.0295","0.0294","","","0.0809","0.081","","","","","","1.135","","","","has coordinates","201573","2020-10-21","18:00:00",""
"7229268","8.4611","0.0005","12.1273","0.0007","9.4968","0.0005","90","","108.251","0.001","90","","925.45","0.09","293","2","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Ca2.87 Cd9.13 O36 Se12 -","- Ca2.864 Cd9.136 O36 Se12 -","- Ca2.864 Cd9.136 O36 Se12 -","1","0.25","","Jia, Ying-Jie; Chen, Yi-Gang; Yao, Xiao-Ni; Zhang, Xian-Ming","Alkali Earth MOx (x=6, 7, 9, 12) Polyhedra Tuned Cadmium Selenites with Different Dimensions and Diverse SeO32-Coordinations","CrystEngComm","2017","","","","","10.1039/C7CE01461A","","","0.71073","MoKα","","0.0174","0.0172","","","0.04","0.0401","","","","","","1.092","","","","has coordinates,has disorder","201573","2020-10-21","18:00:00",""
"7229269","8.7484","0.0007","10.2091","0.0013","14.7961","0.0011","80.673","0.008","89.866","0.006","70.745","0.009","1229.2","0.2","173","10","173","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C28 H23.07 N4 O6.53 Zn -","- C28 H23.537 N4 O6.537 Zn -","- C56 H47.074 N8 O13.074 Zn2 -","2","1","","Zou, Rui; Zhang, Jie; Hu, Shu-Zhi; Hu, Fei; Zhang, Haoyu; Fu, Zhiyong","Reversible mechanochromic and thermochromic luminescent switching via the hydrogen-bond-directed assemblies in a zinc coordination complex","CrystEngComm","2017","","","","","10.1039/C7CE01511A","","","0.71073","MoKα","","0.0607","0.0467","","","0.106","0.1253","","","","","","1.056","","","","has coordinates","201670","2020-10-21","18:00:00",""
"7229270","9.9822","0.0003","14.2046","0.0004","18.0644","0.0005","88.116","0.002","85.266","0.002","73.802","0.001","2451.21","0.12","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C54 H38 Co2 N10 O14 -","- C54 H38 Co2 N10 O14 -","- C108 H76 Co4 N20 O28 -","2","1","","Meng, Xiangmin; Cui, Liansheng; Wang, Xingping; Zhang, Xiaoyin; Zhang, Xia; Bi, Shuang-Yu","Syntheses, structural diversity, magnetic properties and dyes absorption of various Co(II) MOFs based on a semi-flexible 4-(3,5-dicarboxylatobenzyloxy)benzoic acid†","CrystEngComm","2017","","","","","10.1039/C7CE01229B","","","0.71073","MoKα","","0.1035","0.0733","","","0.2228","0.2419","","","","","","1.059","","","","has coordinates","201671","2020-10-21","18:00:00",""
"7229271","9.8268","0.0009","13.2214","0.0012","14.1027","0.0013","90.29","0.002","104.858","0.002","108.809","0.002","1668.7","0.3","205","","205","","","","","","","","","5","P -1","-P 1","2","","","","- C72 H64 Co2 N14 O17 -","- C72 H64 Co2 N14 O17 -","- C72 H64 Co2 N14 O17 -","1","0.5","","Meng, Xiangmin; Cui, Liansheng; Wang, Xingping; Zhang, Xiaoyin; Zhang, Xia; Bi, Shuang-Yu","Syntheses, structural diversity, magnetic properties and dyes absorption of various Co(II) MOFs based on a semi-flexible 4-(3,5-dicarboxylatobenzyloxy)benzoic acid†","CrystEngComm","2017","","","","","10.1039/C7CE01229B","","","0.71073","MoKα","","0.0447","0.0386","","","0.1138","0.1193","","","","","","1.004","","","","has coordinates,has disorder","201671","2020-10-21","18:00:00",""
"7229272","10.8519","0.0004","12.0078","0.0004","16.0618","0.0006","72.122","0.002","88.959","0.002","71.729","0.002","1884.41","0.12","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C86 H62 Co3 N12 O18 -","- C86 H62 Co3 N12 O18 -","- C86 H62 Co3 N12 O18 -","1","0.5","","Meng, Xiangmin; Cui, Liansheng; Wang, Xingping; Zhang, Xiaoyin; Zhang, Xia; Bi, Shuang-Yu","Syntheses, structural diversity, magnetic properties and dyes absorption of various Co(II) MOFs based on a semi-flexible 4-(3,5-dicarboxylatobenzyloxy)benzoic acid†","CrystEngComm","2017","","","","","10.1039/C7CE01229B","","","0.71073","MoKα","","0.0346","0.0307","","","0.0935","0.0964","","","","","","1.055","","","","has coordinates","201671","2020-10-21","18:00:00",""
"7229273","11.5476","0.0014","14.6312","0.0019","15.3494","0.0018","96.828","0.003","97.036","0.003","108.059","0.002","2413","0.5","205","","205","","","","","","","","","5","P -1","-P 1","2","","","","- C104 H92 Co3 N16 O26 -","- C104 H92 Co3 N16 O26 -","- C104 H92 Co3 N16 O26 -","1","0.5","","Meng, Xiangmin; Cui, Liansheng; Wang, Xingping; Zhang, Xiaoyin; Zhang, Xia; Bi, Shuang-Yu","Syntheses, structural diversity, magnetic properties and dyes absorption of various Co(II) MOFs based on a semi-flexible 4-(3,5-dicarboxylatobenzyloxy)benzoic acid†","CrystEngComm","2017","","","","","10.1039/C7CE01229B","","","0.71073","MoKα","","0.0776","0.0484","","","0.1279","0.1413","","","","","","0.991","","","","has coordinates","201671","2020-10-21","18:00:00",""
"7229274","14.315","0.002","12.4647","0.0017","18.515","0.003","90","","109.826","0.002","90","","3107.9","0.8","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H30 Co N4 O9 -","- C33 H30 Co N4 O9 -","- C132 H120 Co4 N16 O36 -","4","1","","Meng, Xiangmin; Cui, Liansheng; Wang, Xingping; Zhang, Xiaoyin; Zhang, Xia; Bi, Shuang-Yu","Syntheses, structural diversity, magnetic properties and dyes absorption of various Co(II) MOFs based on a semi-flexible 4-(3,5-dicarboxylatobenzyloxy)benzoic acid†","CrystEngComm","2017","","","","","10.1039/C7CE01229B","","","0.71073","MoKα","","0.0482","0.0398","","","0.1146","0.1215","","","","","","1.029","","","","has coordinates","201671","2020-10-21","18:00:00",""
"7229275","9.9954","0.0014","16.749","0.002","15.358","0.002","90","","107.444","0.002","90","","2452.9","0.6","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17.89 H21.07 N2.3 O6.5 Zn -","- C17.879 H21.465 N2.293 O6.5 Zn -","- C71.516 H85.86 N9.172 O26 Zn4 -","4","2","","Liu, Jian-Qiang; Kumar, Abhinav; Li, Baohong; Prasad, Rajendra; Batten, Stuart R.; Wu, Jian; Jin, Juncheng; He, Yongxiang","A 3D luminescent Zn(II) MOF for the detection of high explosives and the degradation of organic dyes: an experimental and computational study","CrystEngComm","2017","","","","","10.1039/C7CE01341H","","","0.71073","MoKα","","0.1166","0.0629","","","0.1406","0.168","","","","","","0.951","","","","has coordinates,has disorder","201672","2020-10-21","18:00:00",""
"7229276","9.868","0.003","9.903","0.004","12.895","0.004","87.003","0.006","72.541","0.006","73.377","0.006","1151.1","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H17 Eu N4 O6 -","- C24 H17 Eu N4 O6 -","- C48 H34 Eu2 N8 O12 -","2","1","","Zhou, Xia; Peng, Jun-Ling; Liu, Ze-Yu; Wen, Cai-Ying; Wang, Xing-Hao; Wu, Jian-Zhong; Ou, Yong-Cong","Tuning structure and Zn(II) sensing of lanthanide complexes with two phenylimidazophenanthrolines by acetonitrile hydrolysis","CrystEngComm","2017","","","","","10.1039/C7CE01576C","","","0.71073","MoKα","","0.0564","0.0432","","","0.088","0.0946","","","","","","0.981","","","","has coordinates","201673","2020-10-21","18:00:00",""
"7229277","9.8401","0.0015","10.4399","0.0016","13.681","0.002","92.681","0.002","110.976","0.002","109.933","0.002","1210.7","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H42 Eu2 N8 O12 -","- C50 H42 Eu2 N8 O12 -","- C50 H42 Eu2 N8 O12 -","1","0.5","","Zhou, Xia; Peng, Jun-Ling; Liu, Ze-Yu; Wen, Cai-Ying; Wang, Xing-Hao; Wu, Jian-Zhong; Ou, Yong-Cong","Tuning structure and Zn(II) sensing of lanthanide complexes with two phenylimidazophenanthrolines by acetonitrile hydrolysis","CrystEngComm","2017","","","","","10.1039/C7CE01576C","","","0.71073","MoKα","","0.0383","0.033","","","0.0804","0.0843","","","","","","1.064","","","","has coordinates","201673","2020-10-21","18:00:00",""
"7229278","9.78","0.002","10.418","0.002","13.614","0.004","73.167","0.006","68.983","0.004","69.942","0.004","1194.1","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H42 N8 O12 Tb2 -","- C50 H42 N8 O12 Tb2 -","- C50 H42 N8 O12 Tb2 -","1","0.5","","Zhou, Xia; Peng, Jun-Ling; Liu, Ze-Yu; Wen, Cai-Ying; Wang, Xing-Hao; Wu, Jian-Zhong; Ou, Yong-Cong","Tuning structure and Zn(II) sensing of lanthanide complexes with two phenylimidazophenanthrolines by acetonitrile hydrolysis","CrystEngComm","2017","","","","","10.1039/C7CE01576C","","","0.71073","MoKα","","0.0893","0.0544","","","0.1037","0.1194","","","","","","0.926","","","","has coordinates","201673","2020-10-21","18:00:00",""
"7229279","9.8152","0.0019","10.379","0.002","13.594","0.003","73.302","0.003","69.411","0.003","70.576","0.003","1199.6","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H42 Dy2 N8 O12 -","- C50 H42 Dy2 N8 O12 -","- C50 H42 Dy2 N8 O12 -","1","0.5","","Zhou, Xia; Peng, Jun-Ling; Liu, Ze-Yu; Wen, Cai-Ying; Wang, Xing-Hao; Wu, Jian-Zhong; Ou, Yong-Cong","Tuning structure and Zn(II) sensing of lanthanide complexes with two phenylimidazophenanthrolines by acetonitrile hydrolysis","CrystEngComm","2017","","","","","10.1039/C7CE01576C","","","0.71073","MoKα","","0.0539","0.0406","","","0.0882","0.0957","","","","","","0.998","","","","has coordinates","201673","2020-10-21","18:00:00",""
"7229280","9.8132","0.0017","10.4297","0.0019","13.608","0.002","92.386","0.003","110.825","0.002","110.486","0.003","1197.3","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H42 N8 O12 Sm2 -","- C50 H42 N8 O12 Sm2 -","- C50 H42 N8 O12 Sm2 -","1","0.5","","Zhou, Xia; Peng, Jun-Ling; Liu, Ze-Yu; Wen, Cai-Ying; Wang, Xing-Hao; Wu, Jian-Zhong; Ou, Yong-Cong","Tuning structure and Zn(II) sensing of lanthanide complexes with two phenylimidazophenanthrolines by acetonitrile hydrolysis","CrystEngComm","2017","","","","","10.1039/C7CE01576C","","","0.71073","MoKα","","0.0356","0.0328","","","0.0836","0.0865","","","","","","1.048","","","","has coordinates","201673","2020-10-21","18:00:00",""
"7229281","9.892","0.004","9.957","0.004","12.798","0.005","73.081","0.007","86.82","0.007","73.951","0.007","1158.5","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H17 N4 O6 Sm -","- C24 H17 N4 O6 Sm -","- C48 H34 N8 O12 Sm2 -","2","1","","Zhou, Xia; Peng, Jun-Ling; Liu, Ze-Yu; Wen, Cai-Ying; Wang, Xing-Hao; Wu, Jian-Zhong; Ou, Yong-Cong","Tuning structure and Zn(II) sensing of lanthanide complexes with two phenylimidazophenanthrolines by acetonitrile hydrolysis","CrystEngComm","2017","","","","","10.1039/C7CE01576C","","","0.71073","MoKα","","0.0517","0.0387","","","0.0822","0.0893","","","","","","1.032","","","","has coordinates","201673","2020-10-21","18:00:00",""
"7229303","6.967","0.0014","10.922","0.002","15.965","0.003","89.68","0.03","87.94","0.03","78.03","0.03","1187.6","0.4","243","2","243","2","","","","","","","","5","P -1","-P 1","2","","Bis-4-methoxy triphenylamine-dicyanophenyl","","- C54 H50 N4 O4 S2 -","- C54 H50 N4 O4 S2 -","- C54 H50 N4 O4 S2 -","1","0.5","","Kundu, Anu; Karthikeyan, Subramanian; Moon, Dohyun; Anthony, Philip Philip","Self-reversible thermofluorochromism of D-A-D triphenylamine derivatives and effect of molecular conformation and packing","CrystEngComm","2017","","","","","10.1039/C7CE01538K","","","0.61","synchrotron","","0.1209","0.055","","","0.1352","0.1586","","","","","","0.854","","","","has coordinates,has disorder","201871","2020-10-21","18:00:00",""
"7229304","9.743","0.0019","8.591","0.0017","48.988","0.01","90","","93.39","0.03","90","","4093.2","1.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis-3-methoxy triphenylamine-dicyanophenyl","","- C107 H84 N8 O4 -","- C107 H84 N8 O4 -","- C214 H168 N16 O8 -","2","0.5","","Kundu, Anu; Karthikeyan, Subramanian; Moon, Dohyun; Anthony, Philip Philip","Self-reversible thermofluorochromism of D-A-D triphenylamine derivatives and effect of molecular conformation and packing","CrystEngComm","2017","","","","","10.1039/C7CE01538K","","","0.63","synchrotron","","0.0602","0.0482","","","0.1334","0.1415","","","","","","1.073","","","","has coordinates,has disorder","201871","2020-10-21","18:00:00",""
"7229307","10.106","0.002","14.511","0.003","12.224","0.002","90","","99.64","0.03","90","","1767.3","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-(diphenylamino)-2-propoxybenzaldehyde","","- C22 H21 N O2 -","- C22 H21 N O2 -","- C88 H84 N4 O8 -","4","1","","Hariharan, P. S.; Moon, Dohyun; Anthony, Philip Philip","Crystallization induced reversible fluorescence switching and alkyl chain length dependent thermally stable supercooled organic fluorescent liquid","CrystEngComm","2017","","","","","10.1039/C7CE01650F","","","0.61","synchrotron","","0.0617","0.049","","","0.1319","0.1374","","","","","","1.071","","","","has coordinates","201903","2020-10-21","18:00:00",""
"7229308","9.937","0.002","9.974","0.002","19.734","0.004","90","","92.93","0.03","90","","1953.3","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(diphenylamino)-2-ppentyloxybenzaldehyde","","- C24 H25 N O2 -","- C24 H25 N O2 -","- C96 H100 N4 O8 -","4","1","","Hariharan, P. S.; Moon, Dohyun; Anthony, Philip Philip","Crystallization induced reversible fluorescence switching and alkyl chain length dependent thermally stable supercooled organic fluorescent liquid","CrystEngComm","2017","","","","","10.1039/C7CE01650F","","","0.61","synchrotron","","0.0736","0.0503","","","0.1328","0.1435","","","","","","1.015","","","","has coordinates,has disorder","201903","2020-10-21","18:00:00",""
"7229309","9.419","0.0019","10.485","0.002","19.426","0.004","90","","91.6","0.03","90","","1917.7","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(diphenylamino)-2-butyloxybenzaldehyde","","- C23 H23 N O2 -","- C23 H23 N O2 -","- C92 H92 N4 O8 -","4","1","","Hariharan, P. S.; Moon, Dohyun; Anthony, Philip Philip","Crystallization induced reversible fluorescence switching and alkyl chain length dependent thermally stable supercooled organic fluorescent liquid","CrystEngComm","2017","","","","","10.1039/C7CE01650F","","","0.61","synchrotron","","0.07","0.051","","","0.1432","0.1523","","","","","","1.083","","","","has coordinates","201903","2020-10-21","18:00:00",""
"7229310","11.609","0.002","9.118","0.0018","20.524","0.004","90","","101.51","0.03","90","","2128.8","0.7","301","2","301","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","7-(5-(diphenylamino)-2-formylphenoxy)heptanenitrile","","- C25 H24 N2 O2 -","- C25 H24 N2 O2 -","- C100 H96 N8 O8 -","4","1","","Hariharan, P. S.; Moon, Dohyun; Anthony, Philip Philip","Crystallization induced reversible fluorescence switching and alkyl chain length dependent thermally stable supercooled organic fluorescent liquid","CrystEngComm","2017","","","","","10.1039/C7CE01650F","","","0.7","synchrotron","","0.1673","0.0666","","","0.1723","0.2277","","","","","","0.915","","","","has coordinates,has disorder","201903","2020-10-21","18:00:00",""
"7229311","10.565","0.002","9.822","0.002","20.676","0.004","90","","92.89","0.03","90","","2142.8","0.7","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(diphenylamino)-2-hexyloxybenzaldehyde","","- C25 H25 N O2 -","- C25 H25 N O2 -","- C100 H100 N4 O8 -","4","1","","Hariharan, P. S.; Moon, Dohyun; Anthony, Philip Philip","Crystallization induced reversible fluorescence switching and alkyl chain length dependent thermally stable supercooled organic fluorescent liquid","CrystEngComm","2017","","","","","10.1039/C7CE01650F","","","0.7","synchrotron","","0.1575","0.0665","","","0.1774","0.2149","","","","","","0.824","","","","has coordinates,has disorder","201903","2020-10-21","18:00:00",""
"7229312","9.254","0.0019","10.441","0.002","16.144","0.003","90","","97.15","0.03","90","","1547.7","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-(diphenylamino)-2-methoxybenzaldehyde","","- C20 H17 N O2 -","- C20 H17 N O2 -","- C80 H68 N4 O8 -","4","1","","Hariharan, P. S.; Moon, Dohyun; Anthony, Philip Philip","Crystallization induced reversible fluorescence switching and alkyl chain length dependent thermally stable supercooled organic fluorescent liquid","CrystEngComm","2017","","","","","10.1039/C7CE01650F","","","0.60999","synchrotron","","0.0442","0.0396","","","0.1099","0.1135","","","","","","1.058","","","","has coordinates","201903","2020-10-21","18:00:00",""
"7229313","7.737","0.0015","15.936","0.003","14.484","0.003","90","","103.11","0.03","90","","1739.3","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-(diphenylamino)-2-ethoxybenzaldehyde","","- C21 H19 N O2 -","- C21 H19 N O2 -","- C84 H76 N4 O8 -","4","1","","Hariharan, P. S.; Moon, Dohyun; Anthony, Philip Philip","Crystallization induced reversible fluorescence switching and alkyl chain length dependent thermally stable supercooled organic fluorescent liquid","CrystEngComm","2017","","","","","10.1039/C7CE01650F","","","0.7","synchrotron","","0.0804","0.0504","","","0.1316","0.1453","","","","","","0.983","","","","has coordinates","201903","2020-10-21","18:00:00",""
"7229314","11.7743","0.0005","13.6012","0.0006","17.7276","0.0007","110.01","0.001","90.392","0.001","111.56","0.001","2452.24","0.18","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H38 N4 O40 Zn7 -","- C60 H38.414 N4 O40 Zn7 -","- C60 H38.414 N4 O40 Zn7 -","1","0.5","","zhang, dechun; li, xia","A Zn(II) Complex with Large Channels based on 3'-Nitro-Biphenyl-3,5,4'-Tricarboxylic Acid: Synthesis, Crystal Structure, Fluorescent Sensing of ATP, ADP, GTP, and UTP in Aqueous Solution and Drug Delivery","CrystEngComm","2017","","","","","10.1039/C7CE01618B","","","","","","0.098","","","","","","","","","","","","","","","has coordinates","201936","2020-10-21","18:00:00",""
"7229319","14.6914","0.0005","8.1203","0.0003","16.3822","0.0005","90","","108.381","0.001","90","","1854.66","0.11","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H6 Cl4 O2 S3 -","- C18 H6 Cl4 O2 S3 -","- C72 H24 Cl16 O8 S12 -","4","1","","Qin, Qian; Mague, Joel T.; Moses, Khadija Z.; Carnicom, Elizabeth M.; Cava, Robert J.","Structure and Characterization of Charge Transfer Complexes of Benzo[1,2-b:3,4-b’:5,6-b”]trithiophene [C3h-BTT]","CrystEngComm","2017","","","","","10.1039/C7CE01471F","","","1.54178","CuKα","","0.0404","0.0389","","","0.1043","0.1057","","","","","","1.065","","","","has coordinates","202010","2020-10-21","18:00:00",""
"7229320","11.0658","0.0003","11.3445","0.0003","11.9815","0.0003","67.768","0.001","73.706","0.001","88.504","0.001","1330.94","0.06","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H18 N4 S3 -","- C31 H18 N4 S3 -","- C62 H36 N8 S6 -","2","1","","Qin, Qian; Mague, Joel T.; Moses, Khadija Z.; Carnicom, Elizabeth M.; Cava, Robert J.","Structure and Characterization of Charge Transfer Complexes of Benzo[1,2-b:3,4-b’:5,6-b”]trithiophene [C3h-BTT]","CrystEngComm","2017","","","","","10.1039/C7CE01471F","","","1.54178","CuKα","","0.0782","0.0651","","","0.163","0.1763","","","","","","1.049","","","","has coordinates","202010","2020-10-21","18:00:00",""
"7229321","18.6662","0.0005","15.1927","0.0004","9.3307","0.0003","90","","90.403","0.001","90","","2646.03","0.13","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H6 F2 O S3 -","- C15 H6 F2 O S3 -","- C120 H48 F16 O8 S24 -","8","1","","Qin, Qian; Mague, Joel T.; Moses, Khadija Z.; Carnicom, Elizabeth M.; Cava, Robert J.","Structure and Characterization of Charge Transfer Complexes of Benzo[1,2-b:3,4-b’:5,6-b”]trithiophene [C3h-BTT]","CrystEngComm","2017","","","","","10.1039/C7CE01471F","","","1.54178","CuKα","","0.0326","0.0318","","","0.0832","0.084","","","","","","1.081","","","","has coordinates,has disorder","202010","2020-10-21","18:00:00",""
"7229322","8.827","0.0003","10.6251","0.0004","16.8178","0.0007","90","","94.973","0.002","90","","1571.37","0.1","150","2","150","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C36 H12 F4 N4 S6 -","- C36 H12 F4 N4 S6 -","- C72 H24 F8 N8 S12 -","2","1","","Qin, Qian; Mague, Joel T.; Moses, Khadija Z.; Carnicom, Elizabeth M.; Cava, Robert J.","Structure and Characterization of Charge Transfer Complexes of Benzo[1,2-b:3,4-b’:5,6-b”]trithiophene [C3h-BTT]","CrystEngComm","2017","","","","","10.1039/C7CE01471F","","","1.54178","CuKα","","0.0899","0.0795","","","0.1869","0.1959","","","","","","1.079","","","","has coordinates,has disorder","202010","2020-10-21","18:00:00",""
"7229323","10.11","0.005","10.271","0.006","15.848","0.009","74.156","0.005","74.086","0.004","83.082","0.006","1520.6","1.5","293.15","","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C35 H33 N4 Ni O6 -","- C35 H33 N4 Ni O6 -","- C70 H66 N8 Ni2 O12 -","2","1","","Gao, Lingling; Zhao, Qian-Nan; Li, Miao-Miao; Liming, Fan; Niu, Xiao-Yan; wang, xiaoqing; Hu, Tuoping","Magnetic Properties and Luminescence Sensing of Five Coordination Polymers Based on a Rigid Terphenyl-tetracarboxylic Acid","CrystEngComm","2017","","","","","10.1039/C7CE01510K","","","0.71075","MoKα","","0.1255","0.0592","","","0.1355","0.1613","","","","","","0.945","","","","has coordinates,has disorder","202011","2020-10-21","18:00:00",""
"7229324","9.994","0.011","12.497","0.014","16.113","0.016","69.536","0.014","74.781","0.011","67.507","0.012","1723","3","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H32 Co2 N4 O12 -","- C36 H32 Co2 N4 O12 -","- C72 H64 Co4 N8 O24 -","2","1","","Gao, Lingling; Zhao, Qian-Nan; Li, Miao-Miao; Liming, Fan; Niu, Xiao-Yan; wang, xiaoqing; Hu, Tuoping","Magnetic Properties and Luminescence Sensing of Five Coordination Polymers Based on a Rigid Terphenyl-tetracarboxylic Acid","CrystEngComm","2017","","","","","10.1039/C7CE01510K","","","0.71075","MoKα","","0.1568","0.0511","","","0.1083","0.1483","","","","","","0.892","","","","has coordinates","202011","2020-10-21","18:00:00",""
"7229325","7.3387","0.0004","13.9241","0.0008","22.3669","0.0012","90","","96.06","0.004","90","","2272.8","0.2","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H19 N4 O4 Zn -","- C25 H19 N4 O4 Zn -","- C100 H76 N16 O16 Zn4 -","4","1","","Gao, Lingling; Zhao, Qian-Nan; Li, Miao-Miao; Liming, Fan; Niu, Xiao-Yan; wang, xiaoqing; Hu, Tuoping","Magnetic Properties and Luminescence Sensing of Five Coordination Polymers Based on a Rigid Terphenyl-tetracarboxylic Acid","CrystEngComm","2017","","","","","10.1039/C7CE01510K","","","0.71073","MoKα","","0.0964","0.0452","","","0.0781","0.0927","","","","","","1.006","","","","has coordinates","202011","2020-10-21","18:00:00",""
"7229326","10.141","0.003","10.279","0.003","15.923","0.005","74.507","0.003","74.689","0.003","83.854","0.003","1541.5","0.8","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H19 Co N4 O4 -","- C29 H19 Co N4 O4 -","- C58 H38 Co2 N8 O8 -","2","1","","Gao, Lingling; Zhao, Qian-Nan; Li, Miao-Miao; Liming, Fan; Niu, Xiao-Yan; wang, xiaoqing; Hu, Tuoping","Magnetic Properties and Luminescence Sensing of Five Coordination Polymers Based on a Rigid Terphenyl-tetracarboxylic Acid","CrystEngComm","2017","","","","","10.1039/C7CE01510K","","","0.71073","MoKα","","0.0994","0.0529","","","0.1175","0.1311","","","","","","0.924","","","","has coordinates,has disorder","202011","2020-10-21","18:00:00",""
"7229327","9.93","0.02","10.54","0.02","12.84","0.03","94.83","0.02","109.147","0.017","91.194","0.019","1263","5","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H15 Co N4 O4 -","- C23 H15 Co N4 O4 -","- C46 H30 Co2 N8 O8 -","2","1","","Gao, Lingling; Zhao, Qian-Nan; Li, Miao-Miao; Liming, Fan; Niu, Xiao-Yan; wang, xiaoqing; Hu, Tuoping","Magnetic Properties and Luminescence Sensing of Five Coordination Polymers Based on a Rigid Terphenyl-tetracarboxylic Acid","CrystEngComm","2017","","","","","10.1039/C7CE01510K","","","0.71073","MoKα","","0.0905","0.0452","","","0.0853","0.0978","","","","","","0.963","","","","has coordinates","202011","2020-10-21","18:00:00",""
"7229328","7.1405","0.0003","15.6868","0.0006","16.3204","0.0006","74.238","0.002","86.018","0.002","83.354","0.002","1746.13","0.12","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H15 N3 -","- C24 H15 N3 -","- C96 H60 N12 -","4","2","","Ghosh, Pritam; Paul, Suparnal; Banerjee, Priyabrata","How explosive TNP interacts with small tritopic receptor: a combined crystallographic and thermodynamic approach","CrystEngComm","2017","","","","","10.1039/C7CE01494E","","","0.71073","MoKα","","0.0834","0.0559","","","0.1329","0.1556","","","","","","1.05","","","","has coordinates","202012","2020-10-21","18:00:00",""
"7229329","7.0879","0.0006","8.6017","0.0007","23.632","0.002","82.192","0.006","85.543","0.006","81.563","0.006","1409.5","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H21 N7 O7 -","- C32 H21 N7 O7 -","- C64 H42 N14 O14 -","2","1","","Ghosh, Pritam; Paul, Suparnal; Banerjee, Priyabrata","How explosive TNP interacts with small tritopic receptor: a combined crystallographic and thermodynamic approach","CrystEngComm","2017","","","","","10.1039/C7CE01494E","","","0.71073","MoKα","","0.1703","0.062","","","0.1571","0.2227","","","","","","1.027","","","","has coordinates","202012","2020-10-21","18:00:00",""
"7229344","3.8726","0.0001","10.7671","0.0004","16.5188","0.0006","90.217","0.003","93.186","0.003","98.738","0.002","679.68","0.04","100","","100","","","","","","","","","4","P -1","-P 1","2","","Bis(4-bromophenyl)fumaronitrile","","- C16 H8 Br2 N2 -","- C16 H8 Br2 N2 -","- C32 H16 Br4 N4 -","2","1","","Jensen, Torsten T.; Potticary, Jason; Terry, Lui R.; Bruce Macdonald, Hannah E.; Brandenburg, Jan Gerit; Hall, Simon R.","Polymorphism in crystals of bis(4-bromophenyl)fumaronitrile through vapour phase growth","CrystEngComm","2017","","","","","10.1039/C7CE01543G","","","0.71073","MoKα","","0.042","0.0365","","","0.0902","0.0918","","","","","","1.209","","","","has coordinates","202087","2020-10-21","18:00:00",""
"7229345","7.8318","0.0002","9.3958","0.0003","10.5371","0.0003","87.814","0.002","70.834","0.001","74.15","0.002","703.43","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","bis(4-bromophenyl)fumaronitrile","","- C16 H8 Br2 N2 -","- C16 H8 Br2 N2 -","- C32 H16 Br4 N4 -","2","1","","Jensen, Torsten T.; Potticary, Jason; Terry, Lui R.; Bruce Macdonald, Hannah E.; Brandenburg, Jan Gerit; Hall, Simon R.","Polymorphism in crystals of bis(4-bromophenyl)fumaronitrile through vapour phase growth","CrystEngComm","2017","","","","","10.1039/C7CE01543G","","","0.71073","MoKα","","0.0188","0.0161","","","0.0404","0.0412","","","","","","1.065","","","","has coordinates","202087","2020-10-21","18:00:00",""
"7229346","15.9701","0.001","17.8188","0.0008","25.3977","0.0011","86.261","0.004","87.234","0.004","63.893","0.005","6474.6","0.6","173","0.1","173","0.1","","","","","","","","4","P -1","-P 1","2","","Spiro-4S","","- C157 H168 O10 S4 -","- C157 H168 O10 S4 -","- C314 H336 O20 S8 -","2","1","","Guan, Jing; Zhang, Fangyuan; Zhang, Yijiao; Liu, Zhigang; Wu, Yanli; Xia, Debin","Synthesis, Structure and Optoelectronic Properties of Rigid 3D Tetraindeno-Fused Spirofluorene with Thioxanthene or Dioxothioxanthene Substitutes","CrystEngComm","2017","","","","","10.1039/C7CE01407D","","x-ray","0.71073","MoKα","","0.1912","0.1217","","","0.3276","0.3935","","","","","","1.206","","","","has coordinates,has disorder","202088","2020-10-21","18:00:00",""
"7229347","31.7737","0.0008","18.4299","0.0006","34.794","0.0006","90","","101.028","0.002","90","","19998.6","0.9","173","0.1","173","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C133 H104 Cl32 O8 S4 -","- C133 H104 Cl32 O8 S4 -","- C532 H416 Cl128 O32 S16 -","4","0.5","","Guan, Jing; Zhang, Fangyuan; Zhang, Yijiao; Liu, Zhigang; Wu, Yanli; Xia, Debin","Synthesis, Structure and Optoelectronic Properties of Rigid 3D Tetraindeno-Fused Spirofluorene with Thioxanthene or Dioxothioxanthene Substitutes","CrystEngComm","2017","","","","","10.1039/C7CE01407D","","x-ray","0.71073","MoKα","","0.1836","0.1438","","","0.4203","0.4561","","","","","","1.612","","","","has coordinates","202088","2020-10-21","18:00:00",""
"7229348","9.3368","0.0004","13.3286","0.0006","14.8884","0.0006","90","","107.384","0.001","90","","1768.18","0.13","298","2","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","SMT-DMSO","Sulfamethazine-DMSO Solvate","","- C14 H20 N4 O3 S2 -","- C14 H20 N4 O3 S2 -","- C56 H80 N16 O12 S8 -","4","1","","Ahuja, Dipali; Bannigan, Pauric; Rasmuson, Ake","Study of three solvates of sulfamethazine","CrystEngComm","2017","","","","","10.1039/C7CE01610G","","","0.71073","MoKα","","0.0517","0.0461","","","0.1295","0.1341","","","","","","1.079","","","","has coordinates","202089","2020-10-21","18:00:00",""
"7229349","9.3986","0.0006","13.803","0.0009","14.5682","0.001","90","","71.354","0.002","90","","1790.7","0.2","298","2","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","SMT-DMF","Sulfamethazine-DMF Solvate","","- C15 H21 N5 O3 S -","- C15 H21 N5 O3 S -","- C60 H84 N20 O12 S4 -","4","1","","Ahuja, Dipali; Bannigan, Pauric; Rasmuson, Ake","Study of three solvates of sulfamethazine","CrystEngComm","2017","","","","","10.1039/C7CE01610G","","","0.71073","MoKα","","0.0566","0.0467","","","0.1334","0.1453","","","","","","1.064","","","","has coordinates","202089","2020-10-21","18:00:00",""
"7229350","31.336","0.004","8.0711","0.001","15.218","0.002","90","","90","","90","","3848.9","0.9","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","SMT-DMA","Sulfamethazine -DMA Solvate","","- C16 H23 N5 O3 S -","- C16 H23 N5 O3 S -","- C128 H184 N40 O24 S8 -","8","2","","Ahuja, Dipali; Bannigan, Pauric; Rasmuson, Ake","Study of three solvates of sulfamethazine","CrystEngComm","2017","","","","","10.1039/C7CE01610G","","","0.71073","MoKα","","0.1661","0.0683","","","0.1113","0.1419","","","","","","1.001","","","","has coordinates","202089","2020-10-21","18:00:00",""
"7229363","20.889","0.004","21.431","0.004","13.025","0.003","90","","90","","90","","5831","2","296","2","296","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C31 H30 Cd N2 O11 -","- C31 H30 Cd N2 O11 -","- C248 H240 Cd8 N16 O88 -","8","0.5","","Huang, Yong-Qing; Li, Zong-Ge; Chen, Huai-Ying; Cheng, Hai-Di; Wang, Yang; Ren, Yong-He; Zhao, Yue; Liu, Li","Pseudopolymorphism based on 1D metallacyclic chains constructed from angular zwitterionic ionic ditopic diacid organic linker","CrystEngComm","2017","","","","","10.1039/C7CE01568B","","","0.71073","MoKα","","0.0205","0.0188","","","0.0481","0.049","","","","","","1.059","","","","has coordinates","202141","2020-10-21","18:00:00",""
"7229364","12.784","0.004","13.024","0.004","16.815","0.006","90","","91","0.02","90","","2799.3","1.6","296","2","296","2","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C28 H30 Cd N2 O13 -","- C28 H24 Cd N2 O13 -","- C112 H96 Cd4 N8 O52 -","4","0.5","","Huang, Yong-Qing; Li, Zong-Ge; Chen, Huai-Ying; Cheng, Hai-Di; Wang, Yang; Ren, Yong-He; Zhao, Yue; Liu, Li","Pseudopolymorphism based on 1D metallacyclic chains constructed from angular zwitterionic ionic ditopic diacid organic linker","CrystEngComm","2017","","","","","10.1039/C7CE01568B","","","0.71073","MoKα","","0.0412","0.0359","","","0.1017","0.1089","","","","","","1.078","","","","has coordinates","202141","2020-10-21","18:00:00",""
"7229366","3.6433","0.0008","14.063","0.003","14.147","0.003","101.081","0.002","90.448","0.002","94.459","0.002","709","0.3","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H2 F20 O4 Pt -","- C30 H2 F20 O4 Pt -","- C30 H2 F20 O4 Pt -","1","0.5","","Hori, Akiko; Gonda, Ryu; Rzeznicka, Izabela I.","Enhanced adsorption of small gas molecules in metal (Cu2+, Pd2+, Pt2+) complexes induced by ligand fluorination","CrystEngComm","2017","","","","","10.1039/C7CE01413A","","","0.71073","MoKα","","0.0163","0.0163","","","0.0393","0.0393","","","","","","1.07","","","","has coordinates","202165","2020-10-21","18:00:00",""
"7229367","7.4372","0.0006","8.2866","0.0005","10.62","0.0013","98.674","0.007","107.377","0.014","90.655","0.006","616.38","0.11","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H30 Li2 N2 O12 -","- C20 H30 Li2 N2 O12 -","- C20 H30 Li2 N2 O12 -","1","0.5","","Quarez, Eric; Deunf, Elise; Cadiou, Vincent; Gutel, Thibaut; Boucher, Florent; Guyomard, Dominique; Dolhem, Franck; Poizot, Philippe","Investigating the crystal structures of alkaline and alkaline-earth metal salts of 2,5-(dianilino)terephthalic acid","CrystEngComm","2017","","","","","10.1039/C7CE01501A","","x-ray","0.71073","MoKα","","0.1076","0.0491","","","0.102","0.1255","","","","1.54","1.54","1.42","","","","has coordinates","202166","2020-10-21","18:00:00",""
"7229368","11.955","0.002","6.2885","0.0004","16.03","0.002","90","","91.726","0.012","90","","1204.6","0.3","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H30 Li2 N2 O12 -","- C20 H30 Li2 N2 O12 -","- C40 H60 Li4 N4 O24 -","2","0.5","","Quarez, Eric; Deunf, Elise; Cadiou, Vincent; Gutel, Thibaut; Boucher, Florent; Guyomard, Dominique; Dolhem, Franck; Poizot, Philippe","Investigating the crystal structures of alkaline and alkaline-earth metal salts of 2,5-(dianilino)terephthalic acid","CrystEngComm","2017","","","","","10.1039/C7CE01501A","","x-ray","0.71073","MoKα","","0.129","0.049","","","0.0936","0.1298","","","","1.41","1.41","1.4","","","","has coordinates","202166","2020-10-21","18:00:00",""
"7229369","13.6558","0.0019","15.903","0.003","16.6894","0.001","94.295","0.011","113.23","0.01","110.377","0.011","3025.9","0.9","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H31.6 Mg N2 O12.8 -","- C20 H31.6 Mg N2 O12.8 -","- C100 H158 Mg5 N10 O64 -","5","2.5","","Quarez, Eric; Deunf, Elise; Cadiou, Vincent; Gutel, Thibaut; Boucher, Florent; Guyomard, Dominique; Dolhem, Franck; Poizot, Philippe","Investigating the crystal structures of alkaline and alkaline-earth metal salts of 2,5-(dianilino)terephthalic acid","CrystEngComm","2017","","","","","10.1039/C7CE01501A","","x-ray","0.71073","MoKα","","0.1777","0.0666","","","0.1183","0.1656","","","","1.72","1.72","1.61","","","","has coordinates","202166","2020-10-21","18:00:00",""
"7229372","14.1335","0.0008","7.9549","0.0005","20.8717","0.0014","90","","108.331","0.001","90","","2227.5","0.2","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H8 N12 O13 Zn3 -","- C14 H6 N12 O13 Zn3 -","- C56 H24 N48 O52 Zn12 -","4","0.5","","Du, Ceng-Ceng; Wang, Xin-Fang; Zhou, Sheng-Bin; Wang, Duo-Zhi; Jia, Dianzeng","New complexes constructed from in situ nitration of (1H-tetrazol-5-yl)phenol: synthesis, structures and properties","CrystEngComm","2017","","","","","10.1039/C7CE00753A","","","0.71073","MoKα","","0.0268","0.0245","","","0.0671","0.0682","","","","","","1.063","","","","has coordinates,has disorder","202259","2020-10-21","18:00:00",""
"7229373","10.243","0.013","10.444","0.013","11.595","0.014","113.73","0.04","102.22","0.04","104.23","0.04","1031","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 Cu3 N12 O13 -","- C14 H4 Cu3 N12 O12.5 -","- C28 H8 Cu6 N24 O25 -","2","1","","Du, Ceng-Ceng; Wang, Xin-Fang; Zhou, Sheng-Bin; Wang, Duo-Zhi; Jia, Dianzeng","New complexes constructed from in situ nitration of (1H-tetrazol-5-yl)phenol: synthesis, structures and properties","CrystEngComm","2017","","","","","10.1039/C7CE00753A","","","0.71073","MoKα","","0.1544","0.0738","","","0.2425","0.2938","","","","","","0.994","","","","has coordinates","202259","2020-10-21","18:00:00",""
"7229374","13.523","0.01","11.003","0.008","9.244","0.008","90","","130.792","0.015","90","","1041.3","1.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H2 Ag2 N6 O5 -","- C7 H2 Ag2 N6 O5 -","- C28 H8 Ag8 N24 O20 -","4","0.5","","Du, Ceng-Ceng; Wang, Xin-Fang; Zhou, Sheng-Bin; Wang, Duo-Zhi; Jia, Dianzeng","New complexes constructed from in situ nitration of (1H-tetrazol-5-yl)phenol: synthesis, structures and properties","CrystEngComm","2017","","","","","10.1039/C7CE00753A","","","0.71073","MoKα","","0.0622","0.049","","","0.1285","0.1363","","","","","","0.952","","","","has coordinates","202259","2020-10-21","18:00:00",""
"7229375","11.66","0.02","11.62","0.01","18.53","0.03","90","","102.62","0.04","90","","2450","6","296","2","296","2","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C7 H6 Cu N6 O7 -","- C7 H2 Cu N6 O7 -","- C56 H16 Cu8 N48 O56 -","8","1","","Du, Ceng-Ceng; Wang, Xin-Fang; Zhou, Sheng-Bin; Wang, Duo-Zhi; Jia, Dianzeng","New complexes constructed from in situ nitration of (1H-tetrazol-5-yl)phenol: synthesis, structures and properties","CrystEngComm","2017","","","","","10.1039/C7CE00753A","","","0.71073","MoKα","","0.1617","0.0784","","","0.3194","0.35","","","","","","1.096","","","","has coordinates","202259","2020-10-21","18:00:00",""
"7229376","7.83","0.03","8.07","0.04","12.27","0.07","92.9","0.3","108.43","0.16","90","0.2","735","6","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C7 H24 Cu N6 O16 -","- C7 H2 Cu N6 O8 -","- C14 H4 Cu2 N12 O16 -","2","1","","Du, Ceng-Ceng; Wang, Xin-Fang; Zhou, Sheng-Bin; Wang, Duo-Zhi; Jia, Dianzeng","New complexes constructed from in situ nitration of (1H-tetrazol-5-yl)phenol: synthesis, structures and properties","CrystEngComm","2017","","","","","10.1039/C7CE00753A","","","0.71073","MoKα","","0.2221","0.0705","","","0.4291","0.2747","","","","","","1.042","","","","has coordinates,has disorder","202259","2020-10-21","18:00:00",""
"7229377","6.688","0.003","7.946","0.003","12.609","0.005","75.352","0.008","78.014","0.012","67.635","0.012","594.9","0.4","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 Co N12 O16 -","- C14 H14 Co N12 O14 -","- C14 H14 Co N12 O14 -","1","0.5","","Du, Ceng-Ceng; Wang, Xin-Fang; Zhou, Sheng-Bin; Wang, Duo-Zhi; Jia, Dianzeng","New complexes constructed from in situ nitration of (1H-tetrazol-5-yl)phenol: synthesis, structures and properties","CrystEngComm","2017","","","","","10.1039/C7CE00753A","","","0.71073","MoKα","","0.111","0.0715","","","0.2602","0.2648","","","","","","1.046","","","","has coordinates","202259","2020-10-21","18:00:00",""
"7229378","7.8452","0.0003","11.966","0.005","12.7005","0.0004","107.692","0.001","91.398","0.001","101.232","0.001","1109.7","0.5","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H8 Ag8 N24 O21 -","- C28 H8 Ag8 N24 O21 -","- C28 H8 Ag8 N24 O21 -","1","0.5","","Du, Ceng-Ceng; Wang, Xin-Fang; Zhou, Sheng-Bin; Wang, Duo-Zhi; Jia, Dianzeng","New complexes constructed from in situ nitration of (1H-tetrazol-5-yl)phenol: synthesis, structures and properties","CrystEngComm","2017","","","","","10.1039/C7CE00753A","","","0.71073","MoKα","","0.0329","0.0284","","","0.0751","0.0777","","","","","","1.085","","","","has coordinates","202259","2020-10-21","18:00:00",""
"7229379","6.6521","0.0008","16.2005","0.0016","11.0651","0.0016","90","","90","","90","","1192.5","0.3","296","2","296.15","","","","","","","","","5","A m a 2","A 2 -2a","40","","","","- C7 H Ag2 N7 O7 -","- C7 H Ag2 N7 O7 -","- C28 H4 Ag8 N28 O28 -","4","0.5","","Du, Ceng-Ceng; Wang, Xin-Fang; Zhou, Sheng-Bin; Wang, Duo-Zhi; Jia, Dianzeng","New complexes constructed from in situ nitration of (1H-tetrazol-5-yl)phenol: synthesis, structures and properties","CrystEngComm","2017","","","","","10.1039/C7CE00753A","","","0.71073","MoKα","","0.0548","0.0535","","","0.1452","0.1468","","","","","","1.067","","","","has coordinates,has disorder","202259","2020-10-21","18:00:00",""
"7229380","13.08","0.016","13.109","0.016","16.91","0.02","109.17","0.019","92.97","0.02","118.923","0.016","2318","5","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C56 H52.2 Cu7 N48 O57.1 -","- C56 H30 Cu7 N48 O46 -","- C56 H30 Cu7 N48 O46 -","1","0.5","","Du, Ceng-Ceng; Wang, Xin-Fang; Zhou, Sheng-Bin; Wang, Duo-Zhi; Jia, Dianzeng","New complexes constructed from in situ nitration of (1H-tetrazol-5-yl)phenol: synthesis, structures and properties","CrystEngComm","2017","","","","","10.1039/C7CE00753A","","","0.71073","MoKα","","0.2352","0.074","","","0.248","0.3221","","","","","","0.963","","","","has coordinates,has disorder","202259","2020-10-21","18:00:00",""
"7229386","9.194","0.0018","10.227","0.002","10.861","0.002","83.01","0.03","80.83","0.03","81.89","0.03","992.9","0.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H20 N2 O6 Zn -","- C21 H20 N2 O6 Zn -","- C42 H40 N4 O12 Zn2 -","2","1","","Chen, Jing-Min; Zhou, Qian-Kun; Hou, Yi-Xuan; Liu, Dong","Single-crystal-to-single-crystal conversions of two metal-mediated photoreactive coordination polymers based on stereoselective [2+2] photocycloaddition reactions","CrystEngComm","2017","","","","","10.1039/C7CE01402C","","","0.71073","MoKα","","0.0314","0.0263","","","0.0679","0.0706","","","","","","1.041","","","","has coordinates,has disorder","202289","2020-10-21","18:00:00",""
"7229387","13.311","0.003","9.802","0.002","19.394","0.004","90","","102.96","0.03","90","","2466","1","223","2","223","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C54 H45 Ag3 N6 O9 -","- C54 H45 Ag3 N6 O9 -","- C108 H90 Ag6 N12 O18 -","2","1","","Chen, Jing-Min; Zhou, Qian-Kun; Hou, Yi-Xuan; Liu, Dong","Single-crystal-to-single-crystal conversions of two metal-mediated photoreactive coordination polymers based on stereoselective [2+2] photocycloaddition reactions","CrystEngComm","2017","","","","","10.1039/C7CE01402C","","","0.71073","MoKα","","0.1359","0.0962","","","0.217","0.2412","","","","","","1.115","","","","has coordinates","202289","2020-10-21","18:00:00",""
"7229388","13.251","0.003","9.797","0.002","20.209","0.004","90","","107.23","0.03","90","","2505.8","1","223","2","223","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C54 H45 Ag3 N6 O9 -","- C54 H45 Ag3 N6 O9 -","- C108 H90 Ag6 N12 O18 -","2","1","","Chen, Jing-Min; Zhou, Qian-Kun; Hou, Yi-Xuan; Liu, Dong","Single-crystal-to-single-crystal conversions of two metal-mediated photoreactive coordination polymers based on stereoselective [2+2] photocycloaddition reactions","CrystEngComm","2017","","","","","10.1039/C7CE01402C","","","0.71073","MoKα","","0.1081","0.0818","","","0.2074","0.2239","","","","","","1.108","","","","has coordinates","202289","2020-10-21","18:00:00",""
"7229389","9.1976","0.0018","10.206","0.002","10.783","0.002","86.48","0.03","85.66","0.03","79.8","0.03","992.2","0.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H20 N2 O6 Zn -","- C21 H20 N2 O6 Zn -","- C42 H40 N4 O12 Zn2 -","2","1","","Chen, Jing-Min; Zhou, Qian-Kun; Hou, Yi-Xuan; Liu, Dong","Single-crystal-to-single-crystal conversions of two metal-mediated photoreactive coordination polymers based on stereoselective [2+2] photocycloaddition reactions","CrystEngComm","2017","","","","","10.1039/C7CE01402C","","","0.71073","MoKα","","0.054","0.0446","","","0.1","0.1054","","","","","","1.092","","","","has coordinates,has disorder","202289","2020-10-21","18:00:00",""
"7229414","3.86","0.0008","11.43","0.002","25.629","0.005","90","","90","","90","","1130.7","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","daidzein","","- C15 H10 O4 -","- C15 H10 O4 -","- C60 H40 O16 -","4","1","","Jia, Lina; Xu, Shijie; Liu, Shiyuan; Du, Shichao; Wu, Songgu; Gong, Junbo","Polymorphs of daidzein and intermolecular interaction effect on solution crystallization","CrystEngComm","2017","","","","","10.1039/C7CE01716B","","","0.71073","MoKα","","0.1011","0.0667","","","0.097","0.1053","","","","","","1.103","","","","has coordinates","202389","2020-10-21","18:00:00",""
"7229421","8.0456","0.0003","9.1098","0.0004","22.6193","0.0009","94.2433","0.0016","91.5013","0.0017","113.843","0.0016","1509.35","0.11","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H17 N O6 -","- C16 H17 N O6 -","- C64 H68 N4 O24 -","4","2","","Sarma, Bipul; Khatioda, Rajiv; Saikia, Basanta; Das, Pranab Jyoti","Solubility and In-vitro Drug Permeation Behaviour of Ethenzamide Cocrystals Regulated at Physiological pH Environments","CrystEngComm","2017","","","","","10.1039/C7CE01626C","","","0.71073","MoKα","","0.0613","0.049","","","0.131","0.1383","","","","","","1.077","","","","has coordinates","202438","2020-10-21","18:00:00",""
"7229422","15.72","0.005","4.0408","0.0012","23.577","0.007","90","","92.55","0.02","90","","1496.2","0.8","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 N O6 -","- C16 H16 N O6 -","- C64 H64 N4 O24 -","4","1","","Sarma, Bipul; Khatioda, Rajiv; Saikia, Basanta; Das, Pranab Jyoti","Solubility and In-vitro Drug Permeation Behaviour of Ethenzamide Cocrystals Regulated at Physiological pH Environments","CrystEngComm","2017","","","","","10.1039/C7CE01626C","","","0.71073","MoKα","","0.1648","0.0859","","","0.1946","0.2317","","","","","","0.851","","","","has coordinates","202438","2020-10-21","18:00:00",""
"7229423","7.3291","0.0003","13.5985","0.0005","14.7837","0.0005","90","","95.57","0.003","90","","1466.46","0.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H17 N O6 -","- C16 H17 N O6 -","- C64 H68 N4 O24 -","4","1","","Sarma, Bipul; Khatioda, Rajiv; Saikia, Basanta; Das, Pranab Jyoti","Solubility and In-vitro Drug Permeation Behaviour of Ethenzamide Cocrystals Regulated at Physiological pH Environments","CrystEngComm","2017","","","","","10.1039/C7CE01626C","","","0.71073","MoKα","","0.052","0.0416","","","0.1068","0.1153","","","","","","1.059","","","","has coordinates","202438","2020-10-21","18:00:00",""
"7229424","11.278","0.011","11.819","0.009","12.258","0.01","95.27","0.03","102.49","0.04","100.87","0.04","1552","2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H33 N O16 -","- C30 H33 N O16 -","- C60 H66 N2 O32 -","2","1","","Sarma, Bipul; Khatioda, Rajiv; Saikia, Basanta; Das, Pranab Jyoti","Solubility and In-vitro Drug Permeation Behaviour of Ethenzamide Cocrystals Regulated at Physiological pH Environments","CrystEngComm","2017","","","","","10.1039/C7CE01626C","","","0.71073","MoKα","","0.1583","0.0662","","","0.1439","0.1943","","","","","","0.912","","","","has coordinates","202438","2020-10-21","18:00:00",""
"7229425","11.2432","0.0015","21.829","0.003","25.837","0.004","98.929","0.002","92.438","0.002","94.814","0.002","6232.2","1.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H46 N6 O21 Zn4 -","- C66 H46 N6 O21 Zn4 -","- C132 H92 N12 O42 Zn8 -","2","1","","Duan, Jingui; Cao, Haifei; Wang, Suna; Wang, Yang; Lyu, Hongliang; Krishna, Rajamani; Lu, Zhiyong; Jin, Wanqin","Pre-design and synthesis of a five-fold interpenetrated pcu-type porous coordination polymer and its CO2/CO separation","CrystEngComm","2017","","","","","10.1039/C7CE01649B","","","0.71073","MoKα","","0.1468","0.0845","","","0.2171","0.2302","","","","","","1.029","","","","has coordinates","202439","2020-10-21","18:00:00",""
"7229426","11.7272","0.0003","14.522","0.0004","16.3087","0.0004","89.906","0.001","77.494","0.001","81.515","0.001","2680.51","0.12","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C126 H94 Co3 N22 O4 S6 -","- C126 H94 Co3 N22 O4 S6 -","- C126 H94 Co3 N22 O4 S6 -","1","0.5","","Goswami, Soumyabrata; Tripuramallu, Bharat Kumar; Goldberg, Israel","New meso-substituted trans-A2B2 porphyrins: Synthesis and structure of their metal-mediated supramolecular assemblies†","CrystEngComm","2017","","","","","10.1039/C7CE01642E","","","0.71073","MoKα","","0.0576","0.0452","","","0.1227","0.1322","","","","","","1.024","","","","has coordinates,has disorder","202440","2020-10-21","18:00:00",""
"7229427","32.92","0.002","32.92","0.002","9.3598","0.0006","90","","90","","120","","8784.5","0.9","110","2","110","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C38 H22 N6 S2 Zn -","- C38 H22 N6 S2 Zn -","- C342 H198 N54 S18 Zn9 -","9","0.5","","Goswami, Soumyabrata; Tripuramallu, Bharat Kumar; Goldberg, Israel","New meso-substituted trans-A2B2 porphyrins: Synthesis and structure of their metal-mediated supramolecular assemblies†","CrystEngComm","2017","","","","","10.1039/C7CE01642E","","","0.71073","MoKα","","0.0635","0.0382","","","0.0935","0.1027","","","","","","1.04","","","","has coordinates,has disorder","202440","2020-10-21","18:00:00",""
"7229428","13.3185","0.0016","14.3273","0.0018","14.2071","0.0016","90","","116.045","0.003","90","","2435.7","0.5","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C58 H34 Co N6 -","- C58 H34 Co N6 -","- C116 H68 Co2 N12 -","2","0.5","","Goswami, Soumyabrata; Tripuramallu, Bharat Kumar; Goldberg, Israel","New meso-substituted trans-A2B2 porphyrins: Synthesis and structure of their metal-mediated supramolecular assemblies†","CrystEngComm","2017","","","","","10.1039/C7CE01642E","","","0.71073","MoKα","","0.1664","0.1342","","","0.375","0.3946","","","","","","3.044","","","","has coordinates","202440","2020-10-21","18:00:00",""
"7229429","16.87","0.0014","13.4875","0.001","21.6035","0.0017","90","","103.001","0.002","90","","4789.5","0.7","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C62 H34 Mn N6 -","- C62 H34 Mn N6 -","- C248 H136 Mn4 N24 -","4","1","","Goswami, Soumyabrata; Tripuramallu, Bharat Kumar; Goldberg, Israel","New meso-substituted trans-A2B2 porphyrins: Synthesis and structure of their metal-mediated supramolecular assemblies†","CrystEngComm","2017","","","","","10.1039/C7CE01642E","","","0.71073","MoKα","","0.1444","0.0773","","","0.1945","0.2263","","","","","","1.154","","","","has coordinates","202440","2020-10-21","18:00:00",""
"7229430","13.2582","0.0005","14.327","0.0005","14.2378","0.0005","90","","115.828","0.001","90","","2434.31","0.15","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C58 H34 N6 Zn -","- C58 H34 N6 Zn -","- C116 H68 N12 Zn2 -","2","0.5","","Goswami, Soumyabrata; Tripuramallu, Bharat Kumar; Goldberg, Israel","New meso-substituted trans-A2B2 porphyrins: Synthesis and structure of their metal-mediated supramolecular assemblies†","CrystEngComm","2017","","","","","10.1039/C7CE01642E","","","0.71073","MoKα","","0.1502","0.126","","","0.3706","0.3807","","","","","","2.797","","","","has coordinates","202440","2020-10-21","18:00:00",""
"7229431","16.8011","0.0019","13.6677","0.0015","21.395","0.002","90","","103.239","0.004","90","","4782.4","0.9","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C62 H34 Co N6 -","- C62 H34 Co N6 -","- C248 H136 Co4 N24 -","4","1","","Goswami, Soumyabrata; Tripuramallu, Bharat Kumar; Goldberg, Israel","New meso-substituted trans-A2B2 porphyrins: Synthesis and structure of their metal-mediated supramolecular assemblies†","CrystEngComm","2017","","","","","10.1039/C7CE01642E","","","0.71073","MoKα","","0.101","0.0613","","","0.1469","0.1652","","","","","","1.03","","","","has coordinates","202440","2020-10-21","18:00:00",""
"7229432","16.8049","0.0016","13.645","0.0011","21.4125","0.0017","90","","103.288","0.004","90","","4778.5","0.7","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C62 H34 N6 Zn -","- C62 H34 N6 Zn -","- C248 H136 N24 Zn4 -","4","1","","Goswami, Soumyabrata; Tripuramallu, Bharat Kumar; Goldberg, Israel","New meso-substituted trans-A2B2 porphyrins: Synthesis and structure of their metal-mediated supramolecular assemblies†","CrystEngComm","2017","","","","","10.1039/C7CE01642E","","","0.71073","MoKα","","0.1342","0.0764","","","0.1517","0.1741","","","","","","1.055","","","","has coordinates","202440","2020-10-21","18:00:00",""
"7229433","32.7506","0.0017","32.7506","0.0017","9.1292","0.0004","90","","90","","120","","8480.1","0.7","110","2","110","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C42 H24 Co N8 O4 -","- C42 H24 Co N8 O4 -","- C378 H216 Co9 N72 O36 -","9","0.5","","Goswami, Soumyabrata; Tripuramallu, Bharat Kumar; Goldberg, Israel","New meso-substituted trans-A2B2 porphyrins: Synthesis and structure of their metal-mediated supramolecular assemblies†","CrystEngComm","2017","","","","","10.1039/C7CE01642E","","","0.71073","MoKα","","0.0669","0.042","","","0.0887","0.0983","","","","","","1.005","","","","has coordinates","202440","2020-10-21","18:00:00",""
"7229434","26.3576","0.0017","10.1239","0.0006","27.0731","0.0017","90","","101.522","0.002","90","","7078.7","0.8","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H34 N8 O9 Zn3 -","- C50 H34 N8 O9 Zn3 -","- C200 H136 N32 O36 Zn12 -","4","0.5","","Goswami, Soumyabrata; Tripuramallu, Bharat Kumar; Goldberg, Israel","New meso-substituted trans-A2B2 porphyrins: Synthesis and structure of their metal-mediated supramolecular assemblies†","CrystEngComm","2017","","","","","10.1039/C7CE01642E","","","0.71073","MoKα","","0.1014","0.0776","","","0.2064","0.2205","","","","","","1.102","","","","has coordinates","202440","2020-10-21","18:00:00",""
"7229435","16.9401","0.0009","13.6509","0.0007","17.6168","0.001","90","","101.995","0.002","90","","3984.9","0.4","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H24 Mn N8 O4 -","- C42 H24 Mn N8 O4 -","- C168 H96 Mn4 N32 O16 -","4","1","","Goswami, Soumyabrata; Tripuramallu, Bharat Kumar; Goldberg, Israel","New meso-substituted trans-A2B2 porphyrins: Synthesis and structure of their metal-mediated supramolecular assemblies†","CrystEngComm","2017","","","","","10.1039/C7CE01642E","","","0.71073","MoKα","","0.0668","0.0514","","","0.117","0.1272","","","","","","1.008","","","","has coordinates","202440","2020-10-21","18:00:00",""
"7229436","3.5255","0.0006","20.563","0.004","13.666","0.002","90","","90","","90","","990.7","0.3","293","2","293","2","","","","","","","","2","C m c 21","C 2c -2","36","","","","- P Si -","- P Si -","- P24 Si24 -","24","3","","Li, Chunlong; Wang, Shanpeng; Zhang, Xixia; Jia, Ning; Yu, Tongtong; Zhu, Min; Liu, Duo; Tao, Xutang","Controllable Seeded Flux Growth and Optic-electric Properties of Bulk o-SiP Crystals","CrystEngComm","2017","","","","","10.1039/C7CE01676J","","","0.71073","MoKα","","0.0187","0.0185","","","0.0494","0.0496","","","","","","1.109","","","","has coordinates","202441","2020-10-21","18:00:00",""
"7229437","15.3011","0.001","18.6188","0.0012","27.6436","0.0018","90","","101.235","0.001","90","","7724.4","0.9","100","2","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C88 H40 Cd5 O32 -","- C88 H40 Cd5 O32 -","- C176 H80 Cd10 O64 -","2","0.5","","Liu, Jian-Qiang; Lu, Lu; Wu, Jian; Li, Baohong; SINGH, AMITA; Kumar, Abhinav; Wang, Jun; Batten, Stuart R.","An uncommon 3D 3,3,4,8-c Cd(II) metal-organic framework for highly efficient luminescent sensing and organic dye adsorption: experimental and theoretical insight","CrystEngComm","2017","","","","","10.1039/C7CE01638G","","","0.71073","MoKα","","0.0991","0.0727","","","0.2264","0.2449","","","","","","1.083","","","","has coordinates","202456","2020-10-21","18:00:00",""
"7229438","5.9059","0.0003","6.3964","0.0003","8.9893","0.0004","90","","100.064","0.002","90","","334.36","0.03","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C4 H10 Cl N O2 -","- C4 H10 Cl N O2 -","- C8 H20 Cl2 N2 O4 -","2","0.5","","Rademeyer, Melanie; van der Westhuizen, Belinda","Salts of 4-aminobutyric acid and 6-aminohexanoic acid behaving as molecular Velcro","CrystEngComm","2017","","","","","10.1039/C7CE01597F","","","0.71073","MoKα","","0.0361","0.0288","","","0.0738","0.0781","","","","","","0.831","","","","has coordinates","202457","2020-10-21","18:00:00",""
"7229439","5.2863","0.0003","5.6138","0.0003","17.4559","0.0009","82.962","0.002","86.746","0.002","88.924","0.002","513.26","0.05","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H14 Cl N O6 -","- C6 H14 Cl N O6 -","- C12 H28 Cl2 N2 O12 -","2","1","","Rademeyer, Melanie; van der Westhuizen, Belinda","Salts of 4-aminobutyric acid and 6-aminohexanoic acid behaving as molecular Velcro","CrystEngComm","2017","","","","","10.1039/C7CE01597F","","","0.71073","MoKα","","0.0331","0.0286","","","0.0705","0.0726","","","","","","1.051","","","","has coordinates","202457","2020-10-21","18:00:00",""
"7229440","4.8399","0.0005","8.3511","0.0007","23.167","0.002","90","","91.273","0.004","90","","936.14","0.15","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H14 N2 O5 -","- C6 H14 N2 O5 -","- C24 H56 N8 O20 -","4","1","","Rademeyer, Melanie; van der Westhuizen, Belinda","Salts of 4-aminobutyric acid and 6-aminohexanoic acid behaving as molecular Velcro","CrystEngComm","2017","","","","","10.1039/C7CE01597F","","","0.71073","MoKα","","0.2061","0.1438","","","0.4324","0.4744","","","","","","1.804","","","","has coordinates,has disorder","202457","2020-10-21","18:00:00",""
"7229441","30.237","0.002","5.0915","0.0003","12.8358","0.0009","90","","93.163","0.002","90","","1973.1","0.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H15 I N O2.5 -","- C6 H15 I N O2.5 -","- C48 H120 I8 N8 O20 -","8","1","","Rademeyer, Melanie; van der Westhuizen, Belinda","Salts of 4-aminobutyric acid and 6-aminohexanoic acid behaving as molecular Velcro","CrystEngComm","2017","","","","","10.1039/C7CE01597F","","","0.71073","MoKα","","0.0165","0.0132","","","0.0312","0.0324","","","","","","1.055","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7229442","11.2287","0.0006","8.5257","0.0004","9.1381","0.0005","90","","101.51","0.002","90","","857.22","0.08","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H14 Cl N O2 -","- C6 H14 Cl N O2 -","- C24 H56 Cl4 N4 O8 -","4","1","","Rademeyer, Melanie; van der Westhuizen, Belinda","Salts of 4-aminobutyric acid and 6-aminohexanoic acid behaving as molecular Velcro","CrystEngComm","2017","","","","","10.1039/C7CE01597F","","","0.71073","MoKα","","0.031","0.0244","","","0.0611","0.0638","","","","","","1.065","","","","has coordinates","202457","2020-10-21","18:00:00",""
"7229443","13.3778","0.0013","6.4784","0.0006","15.7657","0.0015","90","","90","","90","","1366.4","0.2","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H10 Br N O2 -","- C4 H10 Br N O2 -","- C32 H80 Br8 N8 O16 -","8","1","","Rademeyer, Melanie; van der Westhuizen, Belinda","Salts of 4-aminobutyric acid and 6-aminohexanoic acid behaving as molecular Velcro","CrystEngComm","2017","","","","","10.1039/C7CE01597F","","","0.71073","MoKα","","0.0196","0.0152","","","0.0352","0.0365","","","","","","1.044","","","","has coordinates","202457","2020-10-21","18:00:00",""
"7229444","29.6835","0.0016","4.9623","0.0003","12.5219","0.0006","90","","92.194","0.002","90","","1843.1","0.17","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H15 Br N O2.5 -","- C6 H15 Br N O2.5 -","- C48 H120 Br8 N8 O20 -","8","1","","Rademeyer, Melanie; van der Westhuizen, Belinda","Salts of 4-aminobutyric acid and 6-aminohexanoic acid behaving as molecular Velcro","CrystEngComm","2017","","","","","10.1039/C7CE01597F","","","0.71073","MoKα","","0.0212","0.0166","","","0.0389","0.0407","","","","","","1.066","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7229445","9.5887","0.0004","6.0522","0.0003","12.6513","0.0006","90","","90","","90","","734.19","0.06","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C4 H10 I N O2 -","- C4 H10 I N O2 -","- C16 H40 I4 N4 O8 -","4","0.5","","Rademeyer, Melanie; van der Westhuizen, Belinda","Salts of 4-aminobutyric acid and 6-aminohexanoic acid behaving as molecular Velcro","CrystEngComm","2017","","","","","10.1039/C7CE01597F","","","0.71073","MoKα","","0.0125","0.011","","","0.0249","0.0252","","","","","","1.135","","","","has coordinates","202457","2020-10-21","18:00:00",""
"7229446","10.2682","0.0003","6.2802","0.0003","24.5507","0.0009","90","","99.492","0.003","90","","1561.51","0.11","130","2","130","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","4,4'-di-tert-butyl-2,2'-bipyridyl","","","- C18 H24 N2 -","- C18 H24 N2 -","- C72 H96 N8 -","4","1","","Rok, Magdalena; Szklarz, Przemyslaw; Moskwa, Marcin; Kijewska, Monika; Baran, Jan; Bator, Grazyna; Medycki, Wojciech; Zamponi, Michaela","Structures and phase transitions in the neat 4,4'-di-tert-butyl-2,2'-bipyridyl and in its molecular complexes with either brom- or iodanilic acid","CrystEngComm","2017","","","","","10.1039/C7CE01481C","","","0.71073","MoKα","","0.1167","0.0677","","","0.1495","0.1824","","","","","","1.042","","","","has coordinates","202458","2020-10-21","18:00:00",""
"7229447","10.3157","0.0005","6.3341","0.0003","24.5593","0.0014","90","","99.775","0.005","90","","1581.42","0.14","190","2","190","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4,4'-di-tert-butyl-2,2'-bipyridyl","","- C18 H24 N2 -","- C18 H24 N2 -","- C72 H96 N8 -","4","1","","Rok, Magdalena; Szklarz, Przemyslaw; Moskwa, Marcin; Kijewska, Monika; Baran, Jan; Bator, Grazyna; Medycki, Wojciech; Zamponi, Michaela","Structures and phase transitions in the neat 4,4'-di-tert-butyl-2,2'-bipyridyl and in its molecular complexes with either brom- or iodanilic acid","CrystEngComm","2017","","","","","10.1039/C7CE01481C","","","0.71073","MoKα","","0.1232","0.0751","","","0.2126","0.2386","","","","","","1.013","","","","has coordinates","202458","2020-10-21","18:00:00",""
"7229448","8.951","0.003","11.491","0.005","11.91","0.003","98.84","0.03","104.58","0.06","93.42","0.04","1165.3","0.8","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H26 Br2 N2 O4 -","- C24 H26 Br2 N2 O4 -","- C48 H52 Br4 N4 O8 -","2","1","","Rok, Magdalena; Szklarz, Przemyslaw; Moskwa, Marcin; Kijewska, Monika; Baran, Jan; Bator, Grazyna; Medycki, Wojciech; Zamponi, Michaela","Structures and phase transitions in the neat 4,4'-di-tert-butyl-2,2'-bipyridyl and in its molecular complexes with either brom- or iodanilic acid","CrystEngComm","2017","","","","","10.1039/C7CE01481C","","","0.71073","MoKα","","0.1129","0.0685","","","0.1627","0.1757","","","","","","0.913","","","","has coordinates","202458","2020-10-21","18:00:00",""
"7229449","9.8323","0.0005","11.7934","0.0006","12.0531","0.0011","80.595","0.006","66.706","0.006","79.529","0.004","1255.83","0.16","345","2","345","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H26 I2 N2 O4 -","- C24 H26 I2 N2 O4 -","- C48 H52 I4 N4 O8 -","2","1","","Rok, Magdalena; Szklarz, Przemyslaw; Moskwa, Marcin; Kijewska, Monika; Baran, Jan; Bator, Grazyna; Medycki, Wojciech; Zamponi, Michaela","Structures and phase transitions in the neat 4,4'-di-tert-butyl-2,2'-bipyridyl and in its molecular complexes with either brom- or iodanilic acid","CrystEngComm","2017","","","","","10.1039/C7CE01481C","","","0.71073","MoKα","","0.0699","0.0353","","","0.0785","0.0951","","","","","","1.013","","","","has coordinates,has disorder","202458","2020-10-21","18:00:00",""
"7229450","9.261","0.003","11.779","0.003","11.997","0.004","99.09","0.04","103.48","0.05","94.58","0.04","1247.3","0.7","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H26 I2 N2 O4 -","- C24 H26 I2 N2 O4 -","- C48 H52 I4 N4 O8 -","2","1","","Rok, Magdalena; Szklarz, Przemyslaw; Moskwa, Marcin; Kijewska, Monika; Baran, Jan; Bator, Grazyna; Medycki, Wojciech; Zamponi, Michaela","Structures and phase transitions in the neat 4,4'-di-tert-butyl-2,2'-bipyridyl and in its molecular complexes with either brom- or iodanilic acid","CrystEngComm","2017","","","","","10.1039/C7CE01481C","","","0.71073","MoKα","","0.0438","0.03","","","0.0701","0.0778","","","","","","1.027","","","","has coordinates,has disorder","202458","2020-10-21","18:00:00",""
"7229451","12.3193","0.0007","6.5863","0.0003","10.3445","0.0006","90","","102.039","0.005","90","","820.88","0.08","250","2","250","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4,4'-di-tert-butyl-2,2'-bipyridyl","","- C18 H24 N2 -","- C18 H24 N2 -","- C36 H48 N4 -","2","0.5","","Rok, Magdalena; Szklarz, Przemyslaw; Moskwa, Marcin; Kijewska, Monika; Baran, Jan; Bator, Grazyna; Medycki, Wojciech; Zamponi, Michaela","Structures and phase transitions in the neat 4,4'-di-tert-butyl-2,2'-bipyridyl and in its molecular complexes with either brom- or iodanilic acid","CrystEngComm","2017","","","","","10.1039/C7CE01481C","","","0.71073","MoKα","","0.1026","0.0612","","","0.161","0.1929","","","","","","1.001","","","","has coordinates,has disorder","202458","2020-10-21","18:00:00",""
"7229462","10.0292","0.0003","13.5724","0.0003","10.3629","0.0004","90","","104.7","0.003","90","","1364.43","0.08","98","","98","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 Mn N2 O5 -","- C13 H12 Mn N2 O5 -","- C52 H48 Mn4 N8 O20 -","4","1","","Lin, Rong-Guang; Li, Libo; Lin, Rui-Biao; Arman, Hadi; Chen, Banglin","Separation of C2/C1 hydrocarbons through gate-opening effect in a microporous metal‒organic framework","CrystEngComm","2017","","","","","10.1039/C7CE01766A","","x-ray","0.71073","MoKα","","0.064","0.0599","","","0.1374","0.1389","","","","","","1.074","","","","has coordinates,has disorder","202507","2020-10-21","18:00:00",""
"7229477","8.13783","0.00015","11.6634","0.0002","13.498","0.0003","93.4739","0.0009","96.731","0.001","103.882","0.0011","1229.92","0.04","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H22 N2 O6 S2 -","- C28 H22 N2 O6 S2 -","- C56 H44 N4 O12 S4 -","2","1","","Takeda, Takashi; Noro, Shin-ichiro; Nakamura, Takayoshi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki","Selective MeCN/EtCN sorption and preferential inclusion of substituted benzenes in a cage structure with arylsulfonamide-armed anthraquinones","CrystEngComm","2018","20","1","17","","10.1039/C7CE01752A","","","1.54187","CuKα","","0.1037","0.0703","","","0.1761","0.2066","","","","","","1.043","","","","has coordinates","228934","2020-10-21","18:00:00",""
"7229478","8.62524","0.00016","12.5088","0.0002","13.0025","0.0002","87.7507","0.0011","79.534","0.001","85.0219","0.0011","1373.92","0.04","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H27 N3 O6 S2 -","- C31 H27 N3 O6 S2 -","- C62 H54 N6 O12 S4 -","2","1","","Takeda, Takashi; Noro, Shin-ichiro; Nakamura, Takayoshi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki","Selective MeCN/EtCN sorption and preferential inclusion of substituted benzenes in a cage structure with arylsulfonamide-armed anthraquinones","CrystEngComm","2018","20","1","17","","10.1039/C7CE01752A","","","1.54187","CuKα","","0.0683","0.0521","","","0.1435","0.1574","","","","","","1.072","","","","has coordinates","228934","2020-10-21","18:00:00",""
"7229479","11.4757","0.0005","12.2489","0.0005","12.7795","0.0006","85.3743","0.0019","76.109","0.0018","70.8493","0.0019","1647.3","0.13","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C72 H84 N4 O10 S4 -","- C72 H84 N4 O10 S4 -","- C72 H84 N4 O10 S4 -","1","0.5","","Takeda, Takashi; Noro, Shin-ichiro; Nakamura, Takayoshi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki","Selective MeCN/EtCN sorption and preferential inclusion of substituted benzenes in a cage structure with arylsulfonamide-armed anthraquinones","CrystEngComm","2018","20","1","17","","10.1039/C7CE01752A","","","1.54187","CuKα","","0.2328","0.123","","","0.3184","0.4139","","","","","","1.062","","","","has coordinates","228934","2020-10-21","18:00:00",""
"7229480","10.9957","0.0008","12.0694","0.0011","12.8047","0.0007","85.373","0.006","73.757","0.005","75.131","0.005","1576.8","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C68 H74 N4 O10 S4 -","- C68 H74 N4 O10 S4 -","- C68 H74 N4 O10 S4 -","1","0.5","","Takeda, Takashi; Noro, Shin-ichiro; Nakamura, Takayoshi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki","Selective MeCN/EtCN sorption and preferential inclusion of substituted benzenes in a cage structure with arylsulfonamide-armed anthraquinones","CrystEngComm","2018","20","1","17","","10.1039/C7CE01752A","","","1.54187","CuKα","","0.0926","0.0601","","","0.154","0.1973","","","","","","1.011","","","","has coordinates","228934","2020-10-21","18:00:00",""
"7229481","10.9459","0.0002","12.1089","0.0002","12.9588","0.0003","84.1094","0.0013","72.953","0.0013","74.0952","0.0013","1578.8","0.06","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C68 H76 N4 O12 S4 -","- C68 H72 N4 O12 S4 -","- C68 H72 N4 O12 S4 -","1","0.5","","Takeda, Takashi; Noro, Shin-ichiro; Nakamura, Takayoshi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki","Selective MeCN/EtCN sorption and preferential inclusion of substituted benzenes in a cage structure with arylsulfonamide-armed anthraquinones","CrystEngComm","2018","20","1","17","","10.1039/C7CE01752A","","","1.54187","CuKα","","0.0696","0.0568","","","0.1685","0.1753","","","","","","1.14","","","","has coordinates","228934","2020-10-21","18:00:00",""
"7229482","11.0418","0.0005","12.4363","0.0005","12.5998","0.0005","88.953","0.002","77.1337","0.0019","77.137","0.002","1643.53","0.12","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C72 H84 N4 O10 S4 -","- C72 H82 N4 O10 S4 -","- C72 H82 N4 O10 S4 -","1","0.5","","Takeda, Takashi; Noro, Shin-ichiro; Nakamura, Takayoshi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki","Selective MeCN/EtCN sorption and preferential inclusion of substituted benzenes in a cage structure with arylsulfonamide-armed anthraquinones","CrystEngComm","2018","20","1","17","","10.1039/C7CE01752A","","","1.54187","CuKα","","0.1382","0.0848","","","0.2278","0.2879","","","","","","1.102","","","","has coordinates","228934","2020-10-21","18:00:00",""
"7229483","11.6922","0.0002","20.8466","0.0004","13.0536","0.0002","90","","101.529","0.0007","90","","3117.53","0.09","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H34 N2 O6 S2 -","- C34 H34 N2 O6 S2 -","- C136 H136 N8 O24 S8 -","4","1","","Takeda, Takashi; Noro, Shin-ichiro; Nakamura, Takayoshi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki","Selective MeCN/EtCN sorption and preferential inclusion of substituted benzenes in a cage structure with arylsulfonamide-armed anthraquinones","CrystEngComm","2018","20","1","17","","10.1039/C7CE01752A","","","1.54187","CuKα","","0.0501","0.0439","","","0.1091","0.1125","","","","","","1.062","","","","has coordinates","228934","2020-10-21","18:00:00",""
"7229484","8.70878","0.00016","12.5376","0.0002","12.6766","0.0002","86.7619","0.0009","79.087","0.0008","86.3097","0.0011","1354.89","0.04","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H25 N3 O6 S2 -","- C30 H25 N3 O6 S2 -","- C60 H50 N6 O12 S4 -","2","1","","Takeda, Takashi; Noro, Shin-ichiro; Nakamura, Takayoshi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki","Selective MeCN/EtCN sorption and preferential inclusion of substituted benzenes in a cage structure with arylsulfonamide-armed anthraquinones","CrystEngComm","2018","20","1","17","","10.1039/C7CE01752A","","","1.54187","CuKα","","0.0661","0.0514","","","0.1429","0.1506","","","","","","1.104","","","","has coordinates","228934","2020-10-21","18:00:00",""
"7229485","14.0762","0.0003","11.0705","0.0002","23.2945","0.0005","90","","92.1146","0.001","90","","3627.52","0.13","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C78 H96 N4 O10 S4 -","- C78 H96 N4 O10 S4 -","- C156 H192 N8 O20 S8 -","2","0.5","","Takeda, Takashi; Noro, Shin-ichiro; Nakamura, Takayoshi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki","Selective MeCN/EtCN sorption and preferential inclusion of substituted benzenes in a cage structure with arylsulfonamide-armed anthraquinones","CrystEngComm","2018","20","1","17","","10.1039/C7CE01752A","","","1.54187","CuKα","","0.1221","0.087","","","0.2155","0.2324","","","","","","0.994","","","","has coordinates","228934","2020-10-21","18:00:00",""
"7229486","10.9203","0.0002","11.9997","0.0002","12.8965","0.0002","84.6483","0.001","73.4045","0.0009","75.8535","0.001","1569.95","0.05","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C68 H70 N6 O10 S4 -","- C68 H70 N6 O10 S4 -","- C68 H70 N6 O10 S4 -","1","0.5","","Takeda, Takashi; Noro, Shin-ichiro; Nakamura, Takayoshi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki","Selective MeCN/EtCN sorption and preferential inclusion of substituted benzenes in a cage structure with arylsulfonamide-armed anthraquinones","CrystEngComm","2018","20","1","17","","10.1039/C7CE01752A","","","1.54187","CuKα","","0.0499","0.0419","","","0.1131","0.1254","","","","","","1.098","","","","has coordinates","228934","2020-10-21","18:00:00",""
"7229487","11.2092","0.0004","12.181","0.0004","12.8326","0.0004","85.505","0.0017","74.8198","0.0018","73.1335","0.0018","1618.27","0.1","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C70 H82 N4 O10 S4 -","- C70 H82 N4 O10 S4 -","- C70 H82 N4 O10 S4 -","1","0.5","","Takeda, Takashi; Noro, Shin-ichiro; Nakamura, Takayoshi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki","Selective MeCN/EtCN sorption and preferential inclusion of substituted benzenes in a cage structure with arylsulfonamide-armed anthraquinones","CrystEngComm","2018","20","1","17","","10.1039/C7CE01752A","","","1.54187","CuKα","","0.1313","0.0966","","","0.27","0.3241","","","","","","1.097","","","","has coordinates","228934","2020-10-21","18:00:00",""
"7229488","10.9315","0.0002","12.0707","0.0002","12.7651","0.0002","84.8346","0.0007","72.9469","0.0007","75.4678","0.0007","1558.54","0.05","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C66 H70 F2 N4 O10 S4 -","- C66 H68 F2 N4 O10 S4 -","- C66 H68 F2 N4 O10 S4 -","1","0.5","","Takeda, Takashi; Noro, Shin-ichiro; Nakamura, Takayoshi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki","Selective MeCN/EtCN sorption and preferential inclusion of substituted benzenes in a cage structure with arylsulfonamide-armed anthraquinones","CrystEngComm","2018","20","1","17","","10.1039/C7CE01752A","","","1.54187","CuKα","","0.0599","0.0473","","","0.1262","0.1341","","","","","","1.094","","","","has coordinates","228934","2020-10-21","18:00:00",""
"7229489","14.1225","0.0003","17.0279","0.0003","17.493","0.0003","81.2059","0.0011","69.2791","0.0011","72.4461","0.001","3746.3","0.13","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C77 H93 Cl3 N4 O10 S4 -","- C77 H93 Cl3 N4 O10 S4 -","- C154 H186 Cl6 N8 O20 S8 -","2","1","","Takeda, Takashi; Noro, Shin-ichiro; Nakamura, Takayoshi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki","Selective MeCN/EtCN sorption and preferential inclusion of substituted benzenes in a cage structure with arylsulfonamide-armed anthraquinones","CrystEngComm","2018","20","1","17","","10.1039/C7CE01752A","","","1.54187","CuKα","","0.1338","0.0818","","","0.1783","0.2007","","","","","","0.825","","","","has coordinates,has disorder","228934","2020-10-21","18:00:00",""
"7229504","10.875","0.003","13.212","0.003","13.585","0.004","90","","101.227","0.003","90","","1914.5","0.9","173","2","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H50 Co2 N4 O12 -","- C36 H50 Co2 N4 O12 -","- C72 H100 Co4 N8 O24 -","2","0.5","","Przybyla, Jack J.; LaDuca, Robert L.","Control of chirality and catenation in cobalt and cadmium camphorate coordination complexes","CrystEngComm","2018","20","3","280","","10.1039/C7CE01712J","","","0.71073","MoKα","","0.097","0.0759","","","0.2008","0.2199","","","","","","1.048","","","","has coordinates,has disorder","229162","2020-10-21","18:00:00",""
"7229505","11.1974","0.0008","14.7981","0.001","12.0119","0.0008","90","","112.731","0.001","90","","1835.8","0.2","173","2","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H46 Cd2 N4 O11 -","- C35 H46 Cd2 N4 O11 -","- C70 H92 Cd4 N8 O22 -","2","1","","Przybyla, Jack J.; LaDuca, Robert L.","Control of chirality and catenation in cobalt and cadmium camphorate coordination complexes","CrystEngComm","2018","20","3","280","","10.1039/C7CE01712J","","","0.71073","MoKα","","0.0325","0.0288","","","0.0641","0.0675","","","","","","1.03","","","","has coordinates","229162","2020-10-21","18:00:00",""
"7229506","10.3191","0.0013","13.4103","0.0016","13.1239","0.0016","90","","93.368","0.002","90","","1813","0.4","173","2","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H46 Co2 N4 O11 -","- C35 H46 Co2 N4 O11 -","- C70 H92 Co4 N8 O22 -","2","1","","Przybyla, Jack J.; LaDuca, Robert L.","Control of chirality and catenation in cobalt and cadmium camphorate coordination complexes","CrystEngComm","2018","20","3","280","","10.1039/C7CE01712J","","","0.71073","MoKα","","0.0549","0.0434","","","0.1093","0.1173","","","","","","1.037","","","","has coordinates","229162","2020-10-21","18:00:00",""
"7229507","11.653","0.006","13.074","0.006","13.802","0.007","90","","105.036","0.006","90","","2030.8","1.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H52 Co2 N4 O12 -","- C37 H52 Co2 N4 O12 -","- C74 H104 Co4 N8 O24 -","2","0.5","","Przybyla, Jack J.; LaDuca, Robert L.","Control of chirality and catenation in cobalt and cadmium camphorate coordination complexes","CrystEngComm","2018","20","3","280","","10.1039/C7CE01712J","","","0.71073","MoKα","","0.1418","0.0881","","","0.2035","0.2365","","","","","","1.025","","","","has coordinates,has disorder","229162","2020-10-21","18:00:00",""
"7229508","13.2458","0.001","10.4071","0.0008","19.9682","0.0015","90","","91.592","0.001","90","","2751.6","0.4","173","2","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C52 H73 Cd2 N8 O17 -","- C52 H73 Cd2 N8 O17 -","- C104 H146 Cd4 N16 O34 -","2","1","","Przybyla, Jack J.; LaDuca, Robert L.","Control of chirality and catenation in cobalt and cadmium camphorate coordination complexes","CrystEngComm","2018","20","3","280","","10.1039/C7CE01712J","","x-ray","0.71073","MoKα","","0.0408","0.0366","","","0.0866","0.09","","","","","","1.054","","","","has coordinates,has disorder","229162","2020-10-21","18:00:00",""
"7229509","21.9751","0.0019","7.663","0.0007","29.079","0.003","90","","102.209","0.002","90","","4786","0.8","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H21 N2 O10 Zn -","- C24 H21 N2 O10 Zn -","- C192 H168 N16 O80 Zn8 -","8","1","","Lv, Sen; Wang, Yuan Ze; Zhang, Chong; Gu, Xu; Gong, Yun; Lin, Jianhua","Coordination polymer based perovskite device: matched energy levels and photocurrent enhancement in the absence or presence of methanol","CrystEngComm","2017","","","","","10.1039/C7CE01682D","","","0.71073","MoKα","","0.0959","0.0522","","","0.1117","0.1285","","","","","","1.056","","","","has coordinates","202876","2020-10-21","18:00:00",""
"7229510","7.4462","0.0007","9.5919","0.0009","23.752","0.002","90.29","0.001","95.146","0.001","105.614","0.002","1626.5","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H64 Co3 N8 O27 -","- C66 H64 Co3 N8 O27 -","- C66 H64 Co3 N8 O27 -","1","0.5","","Lv, Sen; Wang, Yuan Ze; Zhang, Chong; Gu, Xu; Gong, Yun; Lin, Jianhua","Coordination polymer based perovskite device: matched energy levels and photocurrent enhancement in the absence or presence of methanol","CrystEngComm","2017","","","","","10.1039/C7CE01682D","","","0.71073","MoKα","","0.1088","0.0642","","","0.1362","0.1494","","","","","","1.001","","","","has coordinates","202876","2020-10-21","18:00:00",""
"7229511","7.629","0.005","15.946","0.005","16.469","0.005","92.875","0.005","99.764","0.005","101.239","0.005","1929.4","1.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H26 Cl4 Cu2 N8 O7 S2 -","- C38 H22 Cl4 Cu2 N8 O7 S2 -","- C76 H44 Cl8 Cu4 N16 O14 S4 -","2","1","","Wei, Mei-Jie; Fu, Jia-Qi; Wang, Yi-Di; Zhang, Yi; Zang, Hong-Ying; Shao, Kui-Zhan; Li, Yang-Guang; Su, Zhong-Min","High tuneable proton-conducting coordination polymers derived from sulfonate-based ligand","CrystEngComm","2017","","","","","10.1039/C7CE01589E","","","0.71069","MoKα","","0.1092","0.0578","","","0.1386","0.1847","","","","","","1.052","","","","has coordinates","202877","2020-10-21","18:00:00",""
"7229512","8.124","0.005","32.652","0.005","7.379","0.005","90","0.005","93.14","0.005","90","0.005","1954.5","1.8","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 Cl2 Cu N4 O4 P0 S -","- C19 H11 Cl2 Cu N4 O4 S -","- C76 H44 Cl8 Cu4 N16 O16 S4 -","4","1","","Wei, Mei-Jie; Fu, Jia-Qi; Wang, Yi-Di; Zhang, Yi; Zang, Hong-Ying; Shao, Kui-Zhan; Li, Yang-Guang; Su, Zhong-Min","High tuneable proton-conducting coordination polymers derived from sulfonate-based ligand","CrystEngComm","2017","","","","","10.1039/C7CE01589E","","","0.71069","MoKα","","0.1184","0.0808","","","0.1745","0.1903","","","","","","1.119","","","","has coordinates","202877","2020-10-21","18:00:00",""
"7229513","10.35","0.005","14.076","0.005","14.963","0.005","90","0.005","109.222","0.005","90","0.005","2058.4","1.4","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 Cl0 Cu N4 O8 P S -","- C19 H11 Cu N4 O8 P S -","- C76 H44 Cu4 N16 O32 P4 S4 -","4","1","","Wei, Mei-Jie; Fu, Jia-Qi; Wang, Yi-Di; Zhang, Yi; Zang, Hong-Ying; Shao, Kui-Zhan; Li, Yang-Guang; Su, Zhong-Min","High tuneable proton-conducting coordination polymers derived from sulfonate-based ligand","CrystEngComm","2017","","","","","10.1039/C7CE01589E","","","0.71069","MoKα","","0.0869","0.0489","","","0.1266","0.1456","","","","","","1.024","","","","has coordinates","202877","2020-10-21","18:00:00",""
"7229514","25.3114","0.0006","25.3114","0.0006","14.3685","0.0007","90","","90","","120","","7972.1","0.5","296","2","296.15","","","","","","","","","7","R -3","-R 3","148","","","","- C14 H20 As0.67 Cu Mo6 N12 O20.67 -","- C13.986 H19.98 As0.666667 Cu Mo6 N11.988 O20.6667 -","- C125.874 H179.82 As6 Cu9 Mo54 N107.892 O186 -","9","","","Cong, Bowen; Su, Zhanhua; Zhao, Zhifeng; Wang, Bo","A novel 3D POMOFs based on Wells-Dawson arsenomolybdates with excellent photocatalytic and lithium-ion batteries performance","CrystEngComm","2017","","","","","10.1039/C7CE01734K","","","0.71073","MoKα","","0.0382","0.0304","","","0.0811","0.0881","","","","","","1.051","","","","has coordinates,has disorder","202878","2020-10-21","18:00:00",""
"7229527","21.411","0.003","21.411","0.003","9.737","0.0013","90","","90","","120","","3865.7","0.9","123","2","123","2","","","","","","","","4","P 3","P 3","143","","","","- C56.33 H63.33 N2 O8.33 -","- C56.3333 H62 N2 O8.33333 -","- C169 H186 N6 O25 -","3","1","","Yamasaki, Yutaro; Sekiya, Ryo; Haino, Takeharu","Hexameric assembly of 5,17-di-substituted calix[4]arene in the solid state","CrystEngComm","2017","","","","","10.1039/C7CE01515A","","x-ray","0.71073","MoKα","","0.0496","0.044","","","0.1186","0.1232","","","","","","1.055","","","","has coordinates,has disorder","202937","2020-10-21","18:00:00",""
"7229528","31.802","0.011","9.443","0.003","17.98","0.006","90","","119.438","0.003","90","","4702","3","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C56 H62 N2 O8 -","- C56 H62 N2 O8 -","- C224 H248 N8 O32 -","4","0.5","","Yamasaki, Yutaro; Sekiya, Ryo; Haino, Takeharu","Hexameric assembly of 5,17-di-substituted calix[4]arene in the solid state","CrystEngComm","2017","","","","","10.1039/C7CE01515A","","x-ray","0.71073","MoKα","","0.0643","0.0424","","","0.1051","0.1187","","","","","","1.071","","","","has coordinates","202937","2020-10-21","18:00:00",""
"7229529","30.587","0.002","9.5507","0.0008","19.5075","0.0015","90","","113.56","0.001","90","","5223.6","0.7","123","2","123","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C59 H70 N2 O9 -","- C59 H70 N2 O9 -","- C236 H280 N8 O36 -","4","1","","Yamasaki, Yutaro; Sekiya, Ryo; Haino, Takeharu","Hexameric assembly of 5,17-di-substituted calix[4]arene in the solid state","CrystEngComm","2017","","","","","10.1039/C7CE01515A","","x-ray","0.71073","MoKα","","0.0569","0.0456","","","0.1123","0.1199","","","","","","1.049","","","","has coordinates,has disorder","202937","2020-10-21","18:00:00",""
"7229530","21.4358","0.0015","21.4358","0.0015","9.708","0.0007","90","","90","","120","","3863.1","0.5","123","2","123","2","","","","","","","","4","P 3","P 3","143","","","","- C56.67 H63 N2.33 O8 -","- C56.6667 H62 N2.33333 O8 -","- C170 H186 N7 O24 -","3","1","","Yamasaki, Yutaro; Sekiya, Ryo; Haino, Takeharu","Hexameric assembly of 5,17-di-substituted calix[4]arene in the solid state","CrystEngComm","2017","","","","","10.1039/C7CE01515A","","x-ray","0.71073","MoKα","","0.0396","0.0363","","","0.0945","0.0968","","","","","","1.044","","","","has coordinates,has disorder","202937","2020-10-21","18:00:00",""
"7229531","21.4114","0.0018","21.4114","0.0018","9.799","0.0008","90","","90","","120","","3890.5","0.6","123","2","123","2","","","","","","","","4","P 3","P 3","143","","","","- C56.67 H64 N2 O8.33 -","- C56.6666 H62 N2 O8.33333 -","- C170 H186 N6 O25 -","3","1","","Yamasaki, Yutaro; Sekiya, Ryo; Haino, Takeharu","Hexameric assembly of 5,17-di-substituted calix[4]arene in the solid state","CrystEngComm","2017","","","","","10.1039/C7CE01515A","","x-ray","0.71073","MoKα","","0.0492","0.046","","","0.1246","0.1282","","","","","","1.05","","","","has coordinates,has disorder","202937","2020-10-21","18:00:00",""
"7229532","21.43","0.003","21.43","0.003","9.6863","0.0013","90","","90","","120","","3852.4","0.9","123","2","123","2","","","","","","","","4","P 3","P 3","143","","","","- C56 H62 N2 O8 -","- C56 H62 N2 O8 -","- C168 H186 N6 O24 -","3","1","","Yamasaki, Yutaro; Sekiya, Ryo; Haino, Takeharu","Hexameric assembly of 5,17-di-substituted calix[4]arene in the solid state","CrystEngComm","2017","","","","","10.1039/C7CE01515A","","x-ray","0.71073","MoKα","","0.0418","0.037","","","0.092","0.0955","","","","","","1.062","","","","has coordinates,has disorder","202937","2020-10-21","18:00:00",""
"7229534","7.5875","0.0006","11.9287","0.0008","15.8232","0.0013","82.931","0.003","78.678","0.002","75.529","0.003","1355.58","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","(2E)-N-(2-methylphenyl)-2-{2-[(2-oxo-2H-chromen-3-yl)methoxy]benzylidene}hydrazinecarbothioamide, 1,4-dioxane solvate","","- C29 H28 N3 O5 S -","- C29 H29 N3 O5 S -","- C58 H58 N6 O10 S2 -","2","1","","Hussain, Majid; Bauzá, Antonio; Frontera, Antonio; Lo, Kong Mun; Naseer, Muhammad Moazzam","Structure guided or structure guiding? Mixed carbon/hydrogen bonding in a bis-Schiff base of N-allyl isatin","CrystEngComm","2018","20","2","150","","10.1039/C7CE01697B","","","0.71073","MoKα","","0.0671","0.044","","","0.1084","0.1223","","","","","","1.028","","","","has coordinates","229003","2020-10-21","18:00:00",""
"7229542","7.9615","0.0002","11.8938","0.0003","14.6343","0.0003","100.977","0.001","94.897","0.001","94.931","0.001","1348.02","0.06","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C25 H28 Ag F6 N2 O2 P S2 -","- C25 H28 Ag F6 N2 O2 P S2 -","- C50 H56 Ag2 F12 N4 O4 P2 S4 -","2","1","","Seo, Sujin; Lee, Eunji; Ju, Huiyeong; Kim, Seulgi; Park, In-Hyeok; Jung, Jong Hwa; Lee, Shim Sung","Influence of mole-ratio on the coordination behaviour of a ditopic N2O2S2-macrocycle: endo/exocyclic silver(I) coordination polymer exhibiting desolvation-induced SCSC transformation","CrystEngComm","2017","","","","","10.1039/C7CE01540B","","","0.71073","MoKα","","0.0261","0.0239","","","0.0601","0.0615","","","","","","1.058","","","","has coordinates","203021","2020-10-21","18:00:00",""
"7229543","19.6427","0.0005","10.2297","0.0003","16.2","0.0004","90","","108.408","0.001","90","","3088.65","0.14","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C25 H28 Ag2 F12 N2 O2 P2 S2 -","- C25 H28 Ag2 F12 N2 O2 P2 S2 -","- C100 H112 Ag8 F48 N8 O8 P8 S8 -","4","1","","Seo, Sujin; Lee, Eunji; Ju, Huiyeong; Kim, Seulgi; Park, In-Hyeok; Jung, Jong Hwa; Lee, Shim Sung","Influence of mole-ratio on the coordination behaviour of a ditopic N2O2S2-macrocycle: endo/exocyclic silver(I) coordination polymer exhibiting desolvation-induced SCSC transformation","CrystEngComm","2017","","","","","10.1039/C7CE01540B","","","0.71073","MoKα","","0.0871","0.0771","","","0.2288","0.242","","","","","","1.061","","","","has coordinates,has disorder","203021","2020-10-21","18:00:00",""
"7229544","10.6576","0.0005","17.0361","0.0008","20.7041","0.0009","83.502","0.002","76.853","0.002","73.03","0.002","3496.8","0.3","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C52 H60 Ag4 Cl4 F24 N4 O4 P4 S4 -","- C52 H60 Ag4 Cl4 F24 N4 O4 P4 S4 -","- C104 H120 Ag8 Cl8 F48 N8 O8 P8 S8 -","2","1","","Seo, Sujin; Lee, Eunji; Ju, Huiyeong; Kim, Seulgi; Park, In-Hyeok; Jung, Jong Hwa; Lee, Shim Sung","Influence of mole-ratio on the coordination behaviour of a ditopic N2O2S2-macrocycle: endo/exocyclic silver(I) coordination polymer exhibiting desolvation-induced SCSC transformation","CrystEngComm","2017","","","","","10.1039/C7CE01540B","","","0.71073","MoKα","","0.1157","0.073","","","0.1692","0.199","","","","","","1.018","","","","has coordinates,has disorder","203021","2020-10-21","18:00:00",""
"7229545","11.3999","0.0003","11.8133","0.0003","13.5392","0.0004","102.517","0.001","99.513","0.001","106.844","0.001","1652.09","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H68 Cd N14 O16 S4 -","- C66 H64 Cd N14 O14 S4 -","- C66 H64 Cd N14 O14 S4 -","1","0.5","","Singh, Neetu; Singh, Udai P.; Butcher, Ray J.","Luminescent sulfonate coordination polymers: synthesis, structural analysis and selective sensing of nitroaromatic compounds","CrystEngComm","2017","","","","","10.1039/C7CE01453H","","","0.71073","MoKα","","0.0778","0.0501","","","0.1382","0.1726","","","","","","1.017","","","","has coordinates","203095","2020-10-21","18:00:00",""
"7229546","9.6261","0.001","9.6647","0.0009","10.2254","0.001","81.045","0.005","87.123","0.005","85.792","0.005","936.45","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H38 Cd N6 O8 S2 -","- C38 H38 Cd N6 O8 S2 -","- C38 H38 Cd N6 O8 S2 -","1","0.5","","Singh, Neetu; Singh, Udai P.; Butcher, Ray J.","Luminescent sulfonate coordination polymers: synthesis, structural analysis and selective sensing of nitroaromatic compounds","CrystEngComm","2017","","","","","10.1039/C7CE01453H","","","0.71073","MoKα","","0.0685","0.0428","","","0.1225","0.151","","","","","","1.033","","","","has coordinates","203095","2020-10-21","18:00:00",""
"7229547","10.304","0.003","10.679","0.003","18.996","0.004","79.775","0.015","76.308","0.015","70.154","0.014","1899.4","0.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H37 Cd N6 Na O10 S -","- C36 H37 Cd N6 Na O10 S -","- C72 H74 Cd2 N12 Na2 O20 S2 -","2","1","","Singh, Neetu; Singh, Udai P.; Butcher, Ray J.","Luminescent sulfonate coordination polymers: synthesis, structural analysis and selective sensing of nitroaromatic compounds","CrystEngComm","2017","","","","","10.1039/C7CE01453H","","","0.71073","MoKα","","0.1054","0.0548","","","0.0943","0.1127","","","","","","0.985","","","","has coordinates,has disorder","203095","2020-10-21","18:00:00",""
"7229548","10.134","0.002","11.56","0.002","17.57","0.004","99.98","0.03","104","0.03","108.19","0.03","1826.9","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H32 Cd N5 O8 S2 -","- C35 H32 Cd N5 O8 S2 -","- C70 H64 Cd2 N10 O16 S4 -","2","1","","Singh, Neetu; Singh, Udai P.; Butcher, Ray J.","Luminescent sulfonate coordination polymers: synthesis, structural analysis and selective sensing of nitroaromatic compounds","CrystEngComm","2017","","","","","10.1039/C7CE01453H","","","0.71073","MoKα","","0.0985","0.0576","","","0.1431","0.1635","","","","","","0.929","","","","has coordinates,has disorder","203095","2020-10-21","18:00:00",""
"7229549","10.1841","0.0019","21.484","0.004","10.4012","0.0017","90","","100.3","0.006","90","","2239.1","0.7","296","2","296","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C30 H17 N4 O7 S Zn -","- C32.614 H18 N4 O7 S Zn -","- C65.228 H36 N8 O14 S2 Zn2 -","2","0.5","","Singh, Neetu; Singh, Udai P.; Butcher, Ray J.","Luminescent sulfonate coordination polymers: synthesis, structural analysis and selective sensing of nitroaromatic compounds","CrystEngComm","2017","","","","","10.1039/C7CE01453H","","","0.71073","MoKα","","0.1155","0.0686","","","0.1569","0.1743","","","","","","1.061","","","","has coordinates,has disorder","203095","2020-10-21","18:00:00",""
"7229550","18.304","0.003","12.325","0.002","21.955","0.004","90","","107.923","0.007","90","","4712.6","1.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H40 N7 O7 S2 Zn -","- C46 H40 N7 O7 S2 Zn -","- C184 H160 N28 O28 S8 Zn4 -","4","1","","Singh, Neetu; Singh, Udai P.; Butcher, Ray J.","Luminescent sulfonate coordination polymers: synthesis, structural analysis and selective sensing of nitroaromatic compounds","CrystEngComm","2017","","","","","10.1039/C7CE01453H","","","0.71073","MoKα","","0.0797","0.0439","","","0.1012","0.1194","","","","","","1.017","","","","has coordinates","203095","2020-10-21","18:00:00",""
"7229551","22.7003","0.0012","16.1285","0.0007","11.5653","0.0004","90","","116.89","0.003","90","","3776.5","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H20 Cl Cu2 N6 O5 -","- C32 H20 Cl Cu2 N6 O5 -","- C128 H80 Cl4 Cu8 N24 O20 -","4","0.5","","li, bao; xiong, xin; zhou, liuyin; Cao, Wenjie; Yu, Fan; Liang, Jiyuan; Wang, Yazheng; Hu, Si-Qian","Metal-Organic Frameworks Based on Halogen-bridged Dinuclear-Cu-nodes as Promising Materials for High Performance Supercapacitor Electrodes","CrystEngComm","2017","","","","","10.1039/C7CE01840A","","","1.54178","CuKα","","0.0594","0.0509","","","0.1414","0.1475","","","","","","1.085","","","","has coordinates","203096","2020-10-21","18:00:00",""
"7229552","15.249","0.003","14.078","0.003","16.178","0.003","90","","117.2","0.03","90","","3089","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H22 Cu N6 O5 -","- C32 H22 Cu N6 O5 -","- C128 H88 Cu4 N24 O20 -","4","1","","li, bao; xiong, xin; zhou, liuyin; Cao, Wenjie; Yu, Fan; Liang, Jiyuan; Wang, Yazheng; Hu, Si-Qian","Metal-Organic Frameworks Based on Halogen-bridged Dinuclear-Cu-nodes as Promising Materials for High Performance Supercapacitor Electrodes","CrystEngComm","2017","","","","","10.1039/C7CE01840A","","","0.71073","MoKα","","0.0507","0.0472","","","0.1383","0.1421","","","","","","1.043","","","","has coordinates","203096","2020-10-21","18:00:00",""
"7229553","22.6373","0.0015","16.3743","0.0012","11.5237","0.0007","90","","116.401","0.002","90","","3826","0.4","302","2","301.8","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H20 Br Cu2 N6 O5 -","- C32 H20 Br Cu2 N6 O5 -","- C128 H80 Br4 Cu8 N24 O20 -","4","0.5","","li, bao; xiong, xin; zhou, liuyin; Cao, Wenjie; Yu, Fan; Liang, Jiyuan; Wang, Yazheng; Hu, Si-Qian","Metal-Organic Frameworks Based on Halogen-bridged Dinuclear-Cu-nodes as Promising Materials for High Performance Supercapacitor Electrodes","CrystEngComm","2017","","","","","10.1039/C7CE01840A","","","0.71073","MoKα","","0.0723","0.0616","","","0.2013","0.2108","","","","","","1.116","","","","has coordinates","203096","2020-10-21","18:00:00",""
"7229554","17.64","0.004","33.509","0.002","16.6141","0.0017","90","","103.793","0.014","90","","9537","3","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","[Ni2.5(TCPP)(u-O)(H2O)2].nD","","- C96 H48 N8 Ni5 O21 -","- C96 H48 N8 Ni5 O21 -","- C192 H96 N16 Ni10 O42 -","2","0.25","","Amayuelas López, Eder; Fidalgo-Marijuan, Arkaitz; Bazán, Begoña; Urtiaga, Miren Karmele; Barandika, Gotzone; Arriortua, María Isabel","Highly thermally stable heterogeneous catalysts: study of 0D and 3D porphyrinic MOFs","CrystEngComm","2017","","","","","10.1039/C7CE01702B","","","1.54184","CuKα","","0.1627","0.0991","","","0.2522","0.2919","","","","","","0.952","","","","has coordinates","203140","2020-10-21","18:00:00",""
"7229555","17.6945","0.0011","11.4264","0.0007","14.1947","0.0009","90","","97.382","0.001","90","","2846.2","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H37 Cl3 O6 -","- C29 H37 Cl3 O6 -","- C116 H148 Cl12 O24 -","4","1","","Kawahata, Masatoshi; Tominaga, Masahide; Maekawa, Yumi; Yamaguchi, Kentaro","Preparation and crystal structures of charge-transfer complexes of acyclic host molecules bearing pyrogallol derivatives with paraquat","CrystEngComm","2017","","","","","10.1039/C7CE01748K","","","0.71073","MoKα","","0.0403","0.0336","","","0.0814","0.0859","","","","","","1.057","","","","has coordinates","203141","2020-10-21","18:00:00",""
"7229556","9.6564","0.0011","13.3543","0.0015","14.3477","0.0016","67.011","0.004","76.108","0.004","80.955","0.004","1649.3","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H43 F6 N O6 P -","- C34 H43 F6 N O6 P -","- C68 H86 F12 N2 O12 P2 -","2","1","","Kawahata, Masatoshi; Tominaga, Masahide; Maekawa, Yumi; Yamaguchi, Kentaro","Preparation and crystal structures of charge-transfer complexes of acyclic host molecules bearing pyrogallol derivatives with paraquat","CrystEngComm","2017","","","","","10.1039/C7CE01748K","","","1.54178","CuKα","","0.0674","0.0613","","","0.2033","0.2094","","","","","","1.132","","","","has coordinates","203141","2020-10-21","18:00:00",""
"7229557","10.1729","0.0016","13.993","0.002","14.345","0.002","63.733","0.004","84.981","0.004","74.713","0.004","1765.4","0.5","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C37.84 H49 O9.66 -","- C37.84 H49.006 O9.663 -","- C75.68 H98.012 O19.326 -","2","1","","Kawahata, Masatoshi; Tominaga, Masahide; Maekawa, Yumi; Yamaguchi, Kentaro","Preparation and crystal structures of charge-transfer complexes of acyclic host molecules bearing pyrogallol derivatives with paraquat","CrystEngComm","2017","","","","","10.1039/C7CE01748K","","","1.54178","CuKα","","0.0448","0.0421","","","0.1197","0.1237","","","","","","1.069","","","","has coordinates,has disorder","203141","2020-10-21","18:00:00",""
"7229558","9.6535","0.0016","12.475","0.002","18.922","0.003","83.815","0.006","84.842","0.006","76.722","0.006","2199.9","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C45.31 H57.63 F6 N O9.77 P -","- C45.319 H57.638 F6 N O9.773 P -","- C90.638 H115.276 F12 N2 O19.546 P2 -","2","1","","Kawahata, Masatoshi; Tominaga, Masahide; Maekawa, Yumi; Yamaguchi, Kentaro","Preparation and crystal structures of charge-transfer complexes of acyclic host molecules bearing pyrogallol derivatives with paraquat","CrystEngComm","2017","","","","","10.1039/C7CE01748K","","","1.54178","CuKα","","0.0521","0.0434","","","0.1265","0.1361","","","","","","1.14","","","","has coordinates,has disorder","203141","2020-10-21","18:00:00",""
"7229561","6.021","0.0005","12.32","0.0009","13.294","0.001","77.871","0.001","77.259","0.001","79.486","0.001","930.75","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H28 Cr Mo6 N6 O27 -","- C22 H28 Cr Mo6 N6 O27 -","- C22 H28 Cr Mo6 N6 O27 -","1","0.5","","Wang, Xiu-Li; Song, Ge; Lin, Hong-Yan; Wang, Xiang; Liu, Guo-Cheng; Rong, Xing","Solvent-controlled synthesis of various Anderson-type polyoxometalate-based metal‒organic complexes with excellent capacity for the chromatographic separation of dyes","CrystEngComm","2018","20","1","51","","10.1039/C7CE01092C","","","0.71069","MoKα","","0.0275","0.023","","","0.0538","0.0559","","","","","","1.036","","","","has coordinates,has disorder","228930","2020-10-21","18:00:00",""
"7229562","12.3636","0.0005","13.0466","0.0005","14.4949","0.0005","106.06","0.001","97.818","0.001","111.813","0.001","2009.83","0.13","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H76 Co3 Cr2 Mo12 N6 O73 -","- C28 H76 Co3 Cr2 Mo12 N6 O73 -","- C28 H76 Co3 Cr2 Mo12 N6 O73 -","1","0.5","","Wang, Xiu-Li; Song, Ge; Lin, Hong-Yan; Wang, Xiang; Liu, Guo-Cheng; Rong, Xing","Solvent-controlled synthesis of various Anderson-type polyoxometalate-based metal‒organic complexes with excellent capacity for the chromatographic separation of dyes","CrystEngComm","2018","20","1","51","","10.1039/C7CE01092C","","","0.71073","MoKα","","0.0343","0.0283","","","0.0711","0.0744","","","","","","1.035","","","","has coordinates,has disorder","228930","2020-10-21","18:00:00",""
"7229563","25.9299","0.0017","9.8335","0.0006","24.7101","0.0016","90","","117.076","0.002","90","","5610.1","0.6","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C25 H53 Co3 Cr Mo6 N6 O46 -","- C25 H48.9998 Co3 Cr Mo6 N6 O46 -","- C100 H195.999 Co12 Cr4 Mo24 N24 O184 -","4","0.5","","Wang, Xiu-Li; Song, Ge; Lin, Hong-Yan; Wang, Xiang; Liu, Guo-Cheng; Rong, Xing","Solvent-controlled synthesis of various Anderson-type polyoxometalate-based metal‒organic complexes with excellent capacity for the chromatographic separation of dyes","CrystEngComm","2018","20","1","51","","10.1039/C7CE01092C","","","0.71073","MoKα","","0.0551","0.034","","","0.0653","0.0717","","","","","","1.011","","","","has coordinates,has disorder","228930","2020-10-21","18:00:00",""
"7229564","9.624","0.002","13.716","0.004","14.061","0.003","61.168","0.004","70.68","0.005","88.297","0.005","1515.4","0.6","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C32 H53 Cr Cu3 Mo6 N8 O41 -","- C32 H52.9998 Cr Cu3 Mo6 N8 O41 -","- C32 H52.9998 Cr Cu3 Mo6 N8 O41 -","1","0.5","","Wang, Xiu-Li; Song, Ge; Lin, Hong-Yan; Wang, Xiang; Liu, Guo-Cheng; Rong, Xing","Solvent-controlled synthesis of various Anderson-type polyoxometalate-based metal‒organic complexes with excellent capacity for the chromatographic separation of dyes","CrystEngComm","2018","20","1","51","","10.1039/C7CE01092C","","","0.71073","MoKα","","0.0664","0.0547","","","0.155","0.1641","","","","","","1.001","","","","has coordinates,has disorder","228930","2020-10-21","18:00:00",""
"7229565","26.323","0.002","9.8415","0.0009","25.627","0.003","90","","117.922","0.001","90","","5866","1","296","2","296","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C24 H52 Cl Cr Cu3 Mo6 N6 O45 -","- C24 H44 Cl Cr Cu3 Mo6 N6 O45 -","- C96 H176 Cl4 Cr4 Cu12 Mo24 N24 O180 -","4","0.5","","Wang, Xiu-Li; Song, Ge; Lin, Hong-Yan; Wang, Xiang; Liu, Guo-Cheng; Rong, Xing","Solvent-controlled synthesis of various Anderson-type polyoxometalate-based metal‒organic complexes with excellent capacity for the chromatographic separation of dyes","CrystEngComm","2018","20","1","51","","10.1039/C7CE01092C","","","0.71073","MoKα","","0.0659","0.0388","","","0.0891","0.1","","","","","","1.032","","","","has coordinates","228930","2020-10-21","18:00:00",""
"7229566","10.365","0.0002","15.4064","0.0003","28.5396","0.0005","90","","94.72","0.002","90","","4541.96","0.15","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","Cd(Noxisph)~4~(DMF)~5~(H~2~O)","","","- C86 H88 Cd4 N10 O31 -","- C86 H88 Cd4 N10 O31 -","- C172 H176 Cd8 N20 O62 -","2","1","","Wang, Yi; Yang, Huan; Cheng, Gang; Wu, yunying; Lin, Shaomin","Tb(III)-functionalized a new layer-like Cd MOF as luminescent probe for highly selectively sensing Cr3+","CrystEngComm","2017","","","","","10.1039/C7CE01795B","","","0.71073","MoKα","","0.0597","0.0457","","","0.0917","0.0994","","","","","","1.047","","","","has coordinates","203222","2020-10-21","18:00:00",""
"7229567","25.641","0.0008","8.0045","0.0002","7.8006","0.0003","90","","98.534","0.003","90","","1583.29","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 Cl4 N5 -","- C14 H11 Cl4 N5 -","- C56 H44 Cl16 N20 -","4","1","","McMorran, David; McKay, Aidan P.; Gordon, Keith; Shillito, Georgina E.","Cyclometallated Platinum(II) and Palladium(II) Complexes Containing 1,5-Diarylbiguanides: Synthesis, Characterisation and Hydrogen Bond-directed Assembly","CrystEngComm","2017","","","","","10.1039/C7CE01805C","","","1.54184","CuKα","","0.0409","0.0353","","","0.0872","0.0926","","","","","","1.074","","","","has coordinates","203223","2020-10-21","18:00:00",""
"7229568","27.8757","0.0008","15.985","0.005","8.737","0.0003","90","0.005","90","0.005","90","0.005","3893.1","1.2","100.01","0.01","100.01","0.01","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C39 H52 N8 O2 Pd -","- C39 H52 N8 O2 Pd -","- C156 H208 N32 O8 Pd4 -","4","1","","McMorran, David; McKay, Aidan P.; Gordon, Keith; Shillito, Georgina E.","Cyclometallated Platinum(II) and Palladium(II) Complexes Containing 1,5-Diarylbiguanides: Synthesis, Characterisation and Hydrogen Bond-directed Assembly","CrystEngComm","2017","","","","","10.1039/C7CE01805C","","","1.54184","CuKα","","0.0586","0.0558","","","0.1462","0.1527","","","","","","1.044","","","","has coordinates,has disorder","203223","2020-10-21","18:00:00",""
"7229569","10.6109","0.0003","12.3786","0.0003","13.1939","0.0004","79.325","0.002","77.329","0.003","73.188","0.003","1604.7","0.08","100","0.01","100","0.01","","","","","","","","5","P -1","-P 1","2","","","","- C35 H42 N6 O2 Pd -","- C35 H42 N6 O2 Pd -","- C70 H84 N12 O4 Pd2 -","2","1","","McMorran, David; McKay, Aidan P.; Gordon, Keith; Shillito, Georgina E.","Cyclometallated Platinum(II) and Palladium(II) Complexes Containing 1,5-Diarylbiguanides: Synthesis, Characterisation and Hydrogen Bond-directed Assembly","CrystEngComm","2017","","","","","10.1039/C7CE01805C","","","1.54184","CuKα","","0.0373","0.0368","","","0.1015","0.1023","","","","","","1.005","","","","has coordinates,has disorder","203223","2020-10-21","18:00:00",""
"7229570","9.0399","0.0002","11.2725","0.0002","18.7721","0.0004","90.099","0.002","103.059","0.002","90.617","0.002","1863.32","0.07","100","0.01","100","0.01","","","","","","","","5","P -1","-P 1","2","[[Pt(ppy)(diOMebigu)]:(4-dimethylaminonaphthalimide)]","","","- C43 H42 N8 O6 Pt -","- C43 H42 N8 O6 Pt -","- C86 H84 N16 O12 Pt2 -","2","1","","McMorran, David; McKay, Aidan P.; Gordon, Keith; Shillito, Georgina E.","Cyclometallated Platinum(II) and Palladium(II) Complexes Containing 1,5-Diarylbiguanides: Synthesis, Characterisation and Hydrogen Bond-directed Assembly","CrystEngComm","2017","","","","","10.1039/C7CE01805C","","","1.54184","CuKα","","0.0343","0.0334","","","0.0895","0.093","","","","","","1.088","","","","has coordinates,has disorder","203223","2020-10-21","18:00:00",""
"7229571","10.3997","0.0003","12.5486","0.0004","14.9232","0.0005","67.212","0.003","87.641","0.002","68.071","0.003","1653.34","0.11","100.01","0.01","100.01","0.01","","","","","","","","6","P -1","-P 1","2","","","","- C31 H32 Cl4 N8 O2 Pd -","- C31 H32 Cl4 N8 O2 Pd -","- C62 H64 Cl8 N16 O4 Pd2 -","2","1","","McMorran, David; McKay, Aidan P.; Gordon, Keith; Shillito, Georgina E.","Cyclometallated Platinum(II) and Palladium(II) Complexes Containing 1,5-Diarylbiguanides: Synthesis, Characterisation and Hydrogen Bond-directed Assembly","CrystEngComm","2017","","","","","10.1039/C7CE01805C","","","1.54184","CuKα","","0.0458","0.0451","","","0.1208","0.1238","","","","","","1.065","","","","has coordinates,has disorder","203223","2020-10-21","18:00:00",""
"7229572","13.6217","0.0004","33.0468","0.0009","7.813","0.0002","90","","99.978","0.003","90","","3463.85","0.17","100","0.01","100","0.01","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[[Pt(ppy)(biguH)]:(barbitone)].CHCl3","","","- C34 H35 Cl3 N8 O3 Pt -","- C34 H35 Cl3 N8 O3 Pt -","- C136 H140 Cl12 N32 O12 Pt4 -","4","1","","McMorran, David; McKay, Aidan P.; Gordon, Keith; Shillito, Georgina E.","Cyclometallated Platinum(II) and Palladium(II) Complexes Containing 1,5-Diarylbiguanides: Synthesis, Characterisation and Hydrogen Bond-directed Assembly","CrystEngComm","2017","","","","","10.1039/C7CE01805C","","","1.54184","CuKα","","0.045","0.0378","","","0.0899","0.0957","","","","","","1.036","","","","has coordinates,has disorder","203223","2020-10-21","18:00:00",""
"7229573","7.3941","0.0002","14.4709","0.0002","15.6155","0.0003","116.54","0.002","92.067","0.002","90.431","0.002","1493.28","0.06","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C31 H32 F4 N8 O2 Pd -","- C31 H32 F4 N8 O2 Pd -","- C62 H64 F8 N16 O4 Pd2 -","2","1","","McMorran, David; McKay, Aidan P.; Gordon, Keith; Shillito, Georgina E.","Cyclometallated Platinum(II) and Palladium(II) Complexes Containing 1,5-Diarylbiguanides: Synthesis, Characterisation and Hydrogen Bond-directed Assembly","CrystEngComm","2017","","","","","10.1039/C7CE01805C","","","1.54184","CuKα","","0.0341","0.0337","","","0.092","0.0951","","","","","","1.098","","","","has coordinates,has disorder","203223","2020-10-21","18:00:00",""
"7229574","36.4566","0.0009","13.9098","0.0002","21.6407","0.0003","90","","97.802","0.002","90","","10872.5","0.3","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C47.33 H50.33 Cl N8 O2 Pt -","- C47.33 H50.33 Cl0.99 N8 O2 Pt -","- C378.64 H402.64 Cl7.92 N64 O16 Pt8 -","8","1","","McMorran, David; McKay, Aidan P.; Gordon, Keith; Shillito, Georgina E.","Cyclometallated Platinum(II) and Palladium(II) Complexes Containing 1,5-Diarylbiguanides: Synthesis, Characterisation and Hydrogen Bond-directed Assembly","CrystEngComm","2017","","","","","10.1039/C7CE01805C","","","1.54184","CuKα","","0.063","0.0574","","","0.1643","0.17","","","","","","1.053","","","","has coordinates,has disorder","203223","2020-10-21","18:00:00",""
"7229575","7.1493","0.0002","11.5438","0.0002","17.1104","0.0003","90","","99.992","0.002","90","","1390.7","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 F4 N5 -","- C14 H11 F4 N5 -","- C56 H44 F16 N20 -","4","1","","McMorran, David; McKay, Aidan P.; Gordon, Keith; Shillito, Georgina E.","Cyclometallated Platinum(II) and Palladium(II) Complexes Containing 1,5-Diarylbiguanides: Synthesis, Characterisation and Hydrogen Bond-directed Assembly","CrystEngComm","2017","","","","","10.1039/C7CE01805C","","","1.54184","CuKα","","0.0621","0.0492","","","0.1389","0.1417","","","","","","1.349","","","","has coordinates","203223","2020-10-21","18:00:00",""
"7229576","7.4546","0.0001","14.4536","0.0003","15.5267","0.0003","116.599","0.002","91.786","0.002","90.113","0.002","1494.91","0.05","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C31 H32 F4 N8 O2 Pt -","- C31 H32 F4 N8 O2 Pt -","- C62 H64 F8 N16 O4 Pt2 -","2","1","","McMorran, David; McKay, Aidan P.; Gordon, Keith; Shillito, Georgina E.","Cyclometallated Platinum(II) and Palladium(II) Complexes Containing 1,5-Diarylbiguanides: Synthesis, Characterisation and Hydrogen Bond-directed Assembly","CrystEngComm","2017","","","","","10.1039/C7CE01805C","","","1.54184","CuKα","","0.0281","0.0267","","","0.0719","0.0801","","","","","","1.063","","","","has coordinates,has disorder","203223","2020-10-21","18:00:00",""
"7229577","8.2099","0.0016","11.009","0.002","11.794","0.002","112.878","0.002","106.277","0.002","97.836","0.002","905.8","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","rac-3-chloro-5-hydroxy-1-(4-methylbenzyl)-4-[(4-methylphenyl)sulfanyl]-1,5-dihydro-2H-pyrrol-2-one","","- C19 H18 Cl N O2 S -","- C19 H18 Cl N O2 S -","- C38 H36 Cl2 N2 O4 S2 -","2","1","","Lodochnikova, Olga; Kosolapova, Liliya; Saifina, Alina; Gubaidullin, Aidar Timergalievich; Fayzullin, Robert R.; Ayrat, Khamatgalimov; Litvinov, Igor; Kurbangalieva, Almira","Structural aspects of partial solid solution formation: Two crystalline modifications of chiral derivative of 1,5-dihydro-2H-pyrrol-2-one under consideration","CrystEngComm","2017","","","","","10.1039/C7CE01717K","","x-ray","0.71073","MoKα","","0.1023","0.0549","","","0.1152","0.1357","","","","","","1.041","","","","has coordinates","203224","2020-10-21","18:00:00",""
"7229578","8.406","0.004","35.455","0.017","12.722","0.006","90","","106.65","0.007","90","","3633","3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","rac-3-chloro-5-hydroxy-1-(4-methylbenzyl)-4-[(4-methylphenyl)sulfanyl]-1,5-dihydro-2H-pyrrol-2-one","","- C19 H18 Cl N O2 S -","- C19 H18 Cl N O2 S -","- C152 H144 Cl8 N8 O16 S8 -","8","4","","Lodochnikova, Olga; Kosolapova, Liliya; Saifina, Alina; Gubaidullin, Aidar Timergalievich; Fayzullin, Robert R.; Ayrat, Khamatgalimov; Litvinov, Igor; Kurbangalieva, Almira","Structural aspects of partial solid solution formation: Two crystalline modifications of chiral derivative of 1,5-dihydro-2H-pyrrol-2-one under consideration","CrystEngComm","2017","","","","","10.1039/C7CE01717K","","x-ray","0.71073","MoKα","","0.1648","0.0529","","","0.0909","0.1273","","","","","","0.951","","","","has coordinates,has disorder","203224","2020-10-21","18:00:00",""
"7229579","8.0999","0.001","10.997","0.0013","11.7661","0.0014","113.084","0.002","106.754","0.002","97.855","0.002","885.35","0.19","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","rac-3-chloro-5-hydroxy-1-(4-methylbenzyl)-4-[(4-methylphenyl)sulfanyl]-1,5-dihydro-2H-pyrrol-2-one","","- C19 H18 Cl N O2 S -","- C19 H18 Cl N O2 S -","- C38 H36 Cl2 N2 O4 S2 -","2","1","","Lodochnikova, Olga; Kosolapova, Liliya; Saifina, Alina; Gubaidullin, Aidar Timergalievich; Fayzullin, Robert R.; Ayrat, Khamatgalimov; Litvinov, Igor; Kurbangalieva, Almira","Structural aspects of partial solid solution formation: Two crystalline modifications of chiral derivative of 1,5-dihydro-2H-pyrrol-2-one under consideration","CrystEngComm","2017","","","","","10.1039/C7CE01717K","","x-ray","0.71073","MoKα","","0.0412","0.035","","","0.0909","0.0952","","","","","","1.037","","","","has coordinates","203224","2020-10-21","18:00:00",""
"7229580","8.3442","0.0008","35.108","0.003","12.7373","0.0012","90","","107.155","0.001","90","","3565.4","0.6","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","rac-3-chloro-5-hydroxy-1-(4-methylbenzyl)-4-[(4-methylphenyl)sulfanyl]-1,5-dihydro-2H-pyrrol-2-one","","- C19 H18 Cl N O2 S -","- C19 H18 Cl N O2 S -","- C152 H144 Cl8 N8 O16 S8 -","8","4","","Lodochnikova, Olga; Kosolapova, Liliya; Saifina, Alina; Gubaidullin, Aidar Timergalievich; Fayzullin, Robert R.; Ayrat, Khamatgalimov; Litvinov, Igor; Kurbangalieva, Almira","Structural aspects of partial solid solution formation: Two crystalline modifications of chiral derivative of 1,5-dihydro-2H-pyrrol-2-one under consideration","CrystEngComm","2017","","","","","10.1039/C7CE01717K","","x-ray","0.71073","MoKα","","0.0991","0.0543","","","0.0936","0.1114","","","","","","1.018","","","","has coordinates,has disorder","203224","2020-10-21","18:00:00",""
"7229583","16.581","0.002","15.248","0.002","15.9","0.002","90","","90","","90","","4020","0.9","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C36 H30 Cd Cl2 N6 O12 -","- C36 H30 Cd Cl2 N6 O12 -","- C144 H120 Cd4 Cl8 N24 O48 -","4","1","","Patil, Komal M.; Telfer, Shane; Moratti, Stephen; Qazvini, Omid T.; Hanton, Lyall R.","A Non-Interpenetrated Cu-based MOF Constructed from a Rediscovered Tetrahedral Ligand","CrystEngComm","2017","","","","","10.1039/C7CE01818E","","","0.71073","MoKα","","0.0427","0.0395","","","0.1008","0.1032","","","","","","1.073","","","","has coordinates","203243","2020-10-21","18:00:00",""
"7229584","14.686","0.005","14.686","0.005","26.103","0.009","90","","90","","90","","5630","3","100","0.2","100","0.2","","","","","","","","5","P 42/m m c","-P 4c 2","131","","","","- C40 H64 Cu N7 O12 -","- C19 H14 Cu O5 -","- C76 H56 Cu4 O20 -","4","0.25","","Patil, Komal M.; Telfer, Shane; Moratti, Stephen; Qazvini, Omid T.; Hanton, Lyall R.","A Non-Interpenetrated Cu-based MOF Constructed from a Rediscovered Tetrahedral Ligand","CrystEngComm","2017","","","","","10.1039/C7CE01818E","","x-ray","1.54184","CuKα","","0.3011","0.1642","","","0.4208","0.5026","","","","","","1.007","","","","has coordinates","203243","2020-10-21","18:00:00",""
"7229585","14.7093","0.0016","14.7093","0.0016","26.053","0.003","90","","90","","90","","5636.9","1.1","100","0.2","100","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C46 H69 Cu O14 -","- C19 H14 Cu O5 -","- C76 H56 Cu4 O20 -","4","0.25","","Patil, Komal M.; Telfer, Shane; Moratti, Stephen; Qazvini, Omid T.; Hanton, Lyall R.","A Non-Interpenetrated Cu-based MOF Constructed from a Rediscovered Tetrahedral Ligand","CrystEngComm","2017","","","","","10.1039/C7CE01818E","","x-ray","1.54184","CuKα","","0.1495","0.1241","","","0.3508","0.3808","","","","","","1.244","","","","has coordinates","203243","2020-10-21","18:00:00",""
"7229586","19.302","0.005","21.805","0.004","26.364","0.004","90","","90","","90","","11096","4","100","2","100","2","","","","","","","","5","C c c m","-C 2 2c","66","","","","- C26 H29 Cl14 Cu O5 -","- C19 H14 Cu O5 -","- C152 H112 Cu8 O40 -","8","0.5","","Patil, Komal M.; Telfer, Shane; Moratti, Stephen; Qazvini, Omid T.; Hanton, Lyall R.","A Non-Interpenetrated Cu-based MOF Constructed from a Rediscovered Tetrahedral Ligand","CrystEngComm","2017","","","","","10.1039/C7CE01818E","","x-ray","1.54184","CuKα","","0.2219","0.1329","","","0.3213","0.3615","","","","","","0.857","","","","has coordinates","203243","2020-10-21","18:00:00",""
"7229587","7.0629","0.0004","7.9863","0.0004","17.6846","0.0009","79.301","0.005","80.217","0.005","68.622","0.005","907.03","0.09","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H26 B2 N2 O9 -","- C12 H26 B2 N2 O9 -","- C24 H52 B4 N4 O18 -","2","1","","Perrin, Andrea; Goodwin, Melissa J.; Musa, Osama; Yufit, Dimitrii S.; Steed, Jonathan W.","Boric Acid Co-crystals in Guar Gelation","CrystEngComm","2017","","","","","10.1039/C7CE01858D","","","0.7107","MoKα","","0.0559","0.0397","","","0.0884","0.0965","","","","","","1.029","","","","has coordinates","203244","2020-10-21","18:00:00",""
"7229588","10.0731","0.0004","10.2343","0.0004","12.1312","0.0005","112.547","0.001","111.555","0.001","94.539","0.001","1038.42","0.07","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H28 B2 N2 O7 -","- C18 H28 B2 N2 O7 -","- C36 H56 B4 N4 O14 -","2","1","","Perrin, Andrea; Goodwin, Melissa J.; Musa, Osama; Yufit, Dimitrii S.; Steed, Jonathan W.","Boric Acid Co-crystals in Guar Gelation","CrystEngComm","2017","","","","","10.1039/C7CE01858D","","x-ray","0.71073","MoKα","","0.0684","0.0563","","","0.1559","0.1682","","","","","","1.064","","","","has coordinates,has disorder","203244","2020-10-21","18:00:00",""
"7229589","6.4207","0.0003","26.1612","0.0011","11.4892","0.0004","90","","93.522","0.004","90","","1926.23","0.14","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H29 B N2 O5 -","- C18 H29 B N2 O5 -","- C72 H116 B4 N8 O20 -","4","1","","Perrin, Andrea; Goodwin, Melissa J.; Musa, Osama; Yufit, Dimitrii S.; Steed, Jonathan W.","Boric Acid Co-crystals in Guar Gelation","CrystEngComm","2017","","","","","10.1039/C7CE01858D","","","0.71073","MoKα","","0.1064","0.0594","","","0.1473","0.1791","","","","","","0.906","","","","has coordinates","203244","2020-10-21","18:00:00",""
"7229590","6.9008","0.0003","18.7679","0.0008","7.4385","0.0003","90","","111.334","0.0014","90","","897.37","0.07","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H14 B N O4 -","- C6 H14 B N O4 -","- C24 H56 B4 N4 O16 -","4","1","","Perrin, Andrea; Goodwin, Melissa J.; Musa, Osama; Yufit, Dimitrii S.; Steed, Jonathan W.","Boric Acid Co-crystals in Guar Gelation","CrystEngComm","2017","","","","","10.1039/C7CE01858D","","x-ray","0.71073","MoKα","","0.0436","0.0342","","","0.0853","0.0903","","","","","","1.056","","","","has coordinates","203244","2020-10-21","18:00:00",""
"7229591","14.3765","0.0004","5.04525","0.00019","17.3563","0.0007","90","","90.695","0.003","90","","1258.81","0.08","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H7 B O3 -","- C6 H7 B O3 -","- C48 H56 B8 O24 -","8","2","","Perrin, Andrea; Goodwin, Melissa J.; Musa, Osama; Yufit, Dimitrii S.; Steed, Jonathan W.","Boric Acid Co-crystals in Guar Gelation","CrystEngComm","2017","","","","","10.1039/C7CE01858D","","","0.71073","MoKα","","0.0582","0.0438","","","0.1088","0.1255","","","","","","1.088","","","","has coordinates","203244","2020-10-21","18:00:00",""
"7229595","11.18241","0.00011","11.18241","0.00011","7.2372","0.00008","90","","90","","120","","783.74","0.014","293","2","293","2","","","","","","","","4","P 63","P 6c","173","Barium Fluoride Borate","","","- B3.51 Ba7 F3.47 O10.53 -","- B3.51 Ba6.991 F3.461 O10.53 -","- B7.02 Ba13.982 F6.922 O21.06 -","2","0.333333","","Bekker, T. B.; Rashchenko, S. V.; Bakakin, V. V.; Seryotkin, Yu. V.; Fedorov, P. P.; Kokh, A. E.; Stonoga, S. Yu.","Phase formation in the BaB2O4‒BaF2‒BaO system and new non-centrosymmetric solid-solution series Ba7(BO3)4−xF2+3x","CrystEngComm","2012","14","20","6910","","10.1039/c2ce26122g","","x-ray","0.71073","MoKα","","0.0258","0.0251","","","0.0545","0.0548","","","","","","1.084","","","","has coordinates","203288","2020-10-21","18:00:00",""
"7229596","14.5865","0.0009","8.2327","0.0004","10.122","0.0005","90","","94.055","0.002","90","","1212.47","0.11","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-BPXG","","","- C24 H28 N6 O2 -","- C24 H28 N6 O2 -","- C48 H56 N12 O4 -","2","0.5","","Markad, Datta; Mandal, Sanjay K.","An exploration into the amide‒pseudo amide hydrogen bonding synthon between a new coformer with two primary amide groups and theophylline","CrystEngComm","2017","","","","","10.1039/C7CE01666B","","","0.71073","MoKα","","0.0716","0.0469","","","0.1356","0.1522","","","","","","1.05","","","","has coordinates","203315","2020-10-21","18:00:00",""
"7229597","9.536","0.016","11.74","0.02","12.81","0.02","96.84","0.02","93.49","0.02","94.57","0.02","1416","4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","[(2bpxg.4THP)n]","","","- C52 H60 N22 O10 -","- C52 H60 N22 O10 -","- C52 H60 N22 O10 -","1","0.5","","Markad, Datta; Mandal, Sanjay K.","An exploration into the amide‒pseudo amide hydrogen bonding synthon between a new coformer with two primary amide groups and theophylline","CrystEngComm","2017","","","","","10.1039/C7CE01666B","","","0.71073","MoKα","","0.0941","0.0558","","","0.1535","0.1861","","","","","","1.089","","","","has coordinates","203315","2020-10-21","18:00:00",""
"7229598","3.6679","0.0007","10.1769","0.0019","17.203","0.003","90","","90","","90","","642.2","0.2","100","2","100.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-nitro-o-phenylene-diamine","","- C6 H7 N3 O2 -","- C6 H7 N3 O2 -","- C24 H28 N12 O8 -","4","1","","Shishkina, Svitlana V.; Konovalova, Irina S.; Shishkin, Oleg. V.; Boyko, Alexander N.","Influence of substituents on the acceptor properties of the amino groups in the diaminobenzene analogues","CrystEngComm","2017","","","","","10.1039/C7CE01732D","","","0.71073","MoKα","","0.0448","0.0362","","","0.0842","0.087","","","","","","0.9029","","","","has coordinates","278046","2022-09-21","15:45:42",""
"7229607","16.744","0.0005","8.987","0.0002","31.956","0.0011","90","0.0017","101.227","0.0016","90","0.0017","4716.7","0.2","150","0.1","150","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H40 Fe P2 -","- C24 H40 Fe P2 -","- C192 H320 Fe8 P16 -","8","1","","Huang, X. H.; Shi, L.; Ying, S. M.; Yan, G. Y.; Liu, L. H.; Sun, Y. Q.; Chen, Y. P.","Two lanthanide metal‒organic frameworks as sensitive luminescent sensors for the detection of Cr2+ and Cr2O72− in aqueous solutions","CrystEngComm","2018","20","2","189","","10.1039/C7CE01781B","","","0.7107","MoKα","","0.0347","0.0307","","","0.0813","0.0839","","","","","","1.052","","","","has coordinates","229004","2020-10-21","18:00:00",""
"7229608","14.3675","0.0016","8.2658","0.001","18.64","0.0016","90","","123.87","0.006","90","","1838","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H11 N3 O9.5 Tb -","- C18 H11 N3 O9.25 Tb -","- C72 H44 N12 O37 Tb4 -","4","1","","Huang, X. H.; Shi, L.; Ying, S. M.; Yan, G. Y.; Liu, L. H.; Sun, Y. Q.; Chen, Y. P.","Two lanthanide metal‒organic frameworks as sensitive luminescent sensors for the detection of Cr2+ and Cr2O72− in aqueous solutions","CrystEngComm","2018","20","2","189","","10.1039/C7CE01781B","","","0.71073","MoKα","","0.0289","0.0272","","","0.0629","0.0636","","","","","","1.086","","","","has coordinates","229004","2020-10-21","18:00:00",""
"7229609","9.6487","0.0015","5.2866","0.0007","11.1382","0.0019","90","","110.361","0.005","90","","532.65","0.14","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Synthesis of 1-(4-fluorphenyl)-3-phenyltriazenide N1-oxide","","- C12 H10 F N3 O -","- C12 H10 F N3 O -","- C24 H20 F2 N6 O2 -","2","1","","Martins, Marcos A. P.; Salbego, Paulo R. S.; de Moraes, Guilherme A.; Bender, Caroline R.; Zambiazi, Priscilla J.; Orlando, Tainára; Pagliari, Anderson B.; Frizzo, Clarissa P.; Hörner, Manfredo","Understanding the crystalline formation of triazene N-oxides and the role of halogen⋯π interactions","CrystEngComm","2018","20","1","96","","10.1039/C7CE02015E","","x-ray","0.71073","MoKα","","0.0432","0.0351","","","0.087","0.0913","","","","","","1.058","","","","has coordinates","228929","2020-10-21","18:00:00",""
"7229610","5.4917","0.0005","16.1489","0.0013","12.4976","0.001","90","","100.382","0.007","90","","1090.2","0.16","295","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,3-bis(phenyl)triazene N3-hyroxide","","- C12 H11 N3 O -","- C12 H11 N3 O -","- C48 H44 N12 O4 -","4","1","","Martins, Marcos A. P.; Salbego, Paulo R. S.; de Moraes, Guilherme A.; Bender, Caroline R.; Zambiazi, Priscilla J.; Orlando, Tainára; Pagliari, Anderson B.; Frizzo, Clarissa P.; Hörner, Manfredo","Understanding the crystalline formation of triazene N-oxides and the role of halogen⋯π interactions","CrystEngComm","2018","20","1","96","","10.1039/C7CE02015E","","","0.71073","MoKα","","0.2174","0.0687","","","0.1464","0.2041","","","","","","0.998","","","","has coordinates","228929","2020-10-21","18:00:00",""
"7229611","6.168","0.0009","9.574","0.0016","19.477","0.003","90","","96.539","0.009","90","","1142.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(4-chlorophenyl)-3-phenyltriazenide N1-oxide","","- C12 H10 Cl N3 O -","- C12 H10 Cl N3 O -","- C48 H40 Cl4 N12 O4 -","4","1","","Martins, Marcos A. P.; Salbego, Paulo R. S.; de Moraes, Guilherme A.; Bender, Caroline R.; Zambiazi, Priscilla J.; Orlando, Tainára; Pagliari, Anderson B.; Frizzo, Clarissa P.; Hörner, Manfredo","Understanding the crystalline formation of triazene N-oxides and the role of halogen⋯π interactions","CrystEngComm","2018","20","1","96","","10.1039/C7CE02015E","","x-ray","0.71073","MoKα","","0.1158","0.066","","","0.166","0.1886","","","","","","1.015","","","","has coordinates","228929","2020-10-21","18:00:00",""
"7229612","6.2398","0.0003","9.7185","0.0005","19.5527","0.001","90","","96.462","0.002","90","","1178.17","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(4-bromophenyl)-3-phenyltriazenide N1-oxide","","- C12 H10 Br N3 O -","- C12 H10 Br N3 O -","- C48 H40 Br4 N12 O4 -","4","1","","Martins, Marcos A. P.; Salbego, Paulo R. S.; de Moraes, Guilherme A.; Bender, Caroline R.; Zambiazi, Priscilla J.; Orlando, Tainára; Pagliari, Anderson B.; Frizzo, Clarissa P.; Hörner, Manfredo","Understanding the crystalline formation of triazene N-oxides and the role of halogen⋯π interactions","CrystEngComm","2018","20","1","96","","10.1039/C7CE02015E","","x-ray","0.71073","MoKα","","0.0612","0.0336","","","0.0646","0.0727","","","","","","1.005","","","","has coordinates","228929","2020-10-21","18:00:00",""
"7229613","4.7465","0.0003","9.9491","0.0006","26.6177","0.0014","90","","90","","90","","1256.98","0.13","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-(4-iodophenyl)-3-phenyltriazenide N1-oxide","","- C12 H10 I N3 O -","- C12 H10 I N3 O -","- C48 H40 I4 N12 O4 -","4","1","","Martins, Marcos A. P.; Salbego, Paulo R. S.; de Moraes, Guilherme A.; Bender, Caroline R.; Zambiazi, Priscilla J.; Orlando, Tainára; Pagliari, Anderson B.; Frizzo, Clarissa P.; Hörner, Manfredo","Understanding the crystalline formation of triazene N-oxides and the role of halogen⋯π interactions","CrystEngComm","2018","20","1","96","","10.1039/C7CE02015E","","x-ray","0.71073","MoKα","","0.0854","0.0466","","","0.1145","0.1316","","","","","","1.037","","","","has coordinates","228929","2020-10-21","18:00:00",""
"7229622","8.771","0.008","8.771","0.008","26.13","0.02","90","","90","","90","","2010","3","293","2","293","2","","","","","","","","3","I 4/m c m","-I 4 2c","140","","","","- Au3.56 Ba Ga8.44 -","- Au3.56 Ba Ga8.44 -","- Au28.48 Ba8 Ga67.52 -","8","0.25","","Celania, Chris; Smetana, Volodymyr; Mudring, Anja-Verena","Bringing order to large-scale disordered complex metal alloys: Gd2Au15−xSbxand BaAuxGa12−x","CrystEngComm","2018","20","3","348","","10.1039/C7CE01865G","","","0.71073","MoKα","","0.0937","0.0672","","","0.1437","0.1602","","","","","","1.106","","","","has coordinates","229158","2020-10-21","18:00:00",""
"7229623","7.33","0.009","7.33","0.009","14.105","0.017","90","","90","","90","","757.8","1.6","293","2","293","2","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- Au11.41 Gd2 Sb3.59 -","- Au11.41 Gd2 Sb3.59 -","- Au22.82 Gd4 Sb7.18 -","2","0.0625","","Celania, Chris; Smetana, Volodymyr; Mudring, Anja-Verena","Bringing order to large-scale disordered complex metal alloys: Gd2Au15−xSbxand BaAuxGa12−x","CrystEngComm","2018","20","3","348","","10.1039/C7CE01865G","","","0.71073","MoKα","","0.0741","0.0445","","","0.0929","0.1024","","","","","","1.019","","","","has coordinates","229158","2020-10-21","18:00:00",""
"7229624","7.307","0.0006","7.307","0.009","14.0497","0.0014","90","","90","","90","","750.1","0.9","293","2","293","2","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- Au11.98 Gd2 Sb3.02 -","- Au11.98 Gd2 Sb3.02 -","- Au23.96 Gd4 Sb6.04 -","2","0.0625","","Celania, Chris; Smetana, Volodymyr; Mudring, Anja-Verena","Bringing order to large-scale disordered complex metal alloys: Gd2Au15−xSbxand BaAuxGa12−x","CrystEngComm","2018","20","3","348","","10.1039/C7CE01865G","","","0.71073","MoKα","","0.0689","0.0462","","","0.1039","0.1155","","","","","","1.054","","","","has coordinates","229158","2020-10-21","18:00:00",""
"7229625","8.774","0.001","8.774","0.001","26.064","0.004","90","","90","","90","","2006.5","0.4","293","2","293","2","","","","","","","","3","I 4/m c m","-I 4 2c","140","","","","- Au4.38 Ba Ga7.62 -","- Au4.372 Ba Ga7.628 -","- Au34.976 Ba8 Ga61.024 -","8","0.25","","Celania, Chris; Smetana, Volodymyr; Mudring, Anja-Verena","Bringing order to large-scale disordered complex metal alloys: Gd2Au15−xSbxand BaAuxGa12−x","CrystEngComm","2018","20","3","348","","10.1039/C7CE01865G","","","0.71073","MoKα","","0.0939","0.0733","","","0.1587","0.1687","","","","","","1.164","","","","has coordinates","229158","2020-10-21","18:00:00",""
"7229628","7.8613","0.001","24.495","0.003","6.1207","0.0008","90","","90","","90","","1178.6","0.3","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H5 N3 S2 -","- C13 H5 N3 S2 -","- C52 H20 N12 S8 -","4","1","","Pham, Phuong-Truc T.; Young, Victor G.; Bader, Mamoun M.","The impact of vinylene bridges and side chain alkyl groups on the solid state structures of tricyanovinyl-substituted thiophenes","CrystEngComm","2018","20","1","128","","10.1039/C7CE01574G","","","0.71073","MoKα","","0.0348","0.0303","","","0.0676","0.0691","","","","","","1.062","","","","has coordinates","228931","2020-10-21","18:00:00",""
"7229629","5.56","0.005","14.516","0.013","16.611","0.015","90","","93.872","0.016","90","","1338","2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2","(E)-2-(5-(2-(thiophen-2-yl)vinyl)-thiophen-2-yl)-ethene-1,1,2-tricarbonitrile","","- C15 H7 N3 S2 -","- C15 H7 N3 S2 -","- C60 H28 N12 S8 -","4","1","","Pham, Phuong-Truc T.; Young, Victor G.; Bader, Mamoun M.","The impact of vinylene bridges and side chain alkyl groups on the solid state structures of tricyanovinyl-substituted thiophenes","CrystEngComm","2018","20","1","128","","10.1039/C7CE01574G","","","0.71073","MoKα","","0.0567","0.0363","","","0.0833","0.093","","","","","","1.071","","","","has coordinates","228931","2020-10-21","18:00:00",""
"7229630","9.1187","0.0016","10.6243","0.0018","16.361","0.003","73.912","0.003","82.666","0.003","70.835","0.003","1437.4","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","3","(E)-2-(3,4-dibu-tyl-5-(2-(3,4-dibutylthiophen-2-yl)vinyl)thiophen-2-yl) ethene-1,1,2-tricarbo-nitrile","","- C31 H39 N3 S2 -","- C31 H39 N3 S2 -","- C62 H78 N6 S4 -","2","1","","Pham, Phuong-Truc T.; Young, Victor G.; Bader, Mamoun M.","The impact of vinylene bridges and side chain alkyl groups on the solid state structures of tricyanovinyl-substituted thiophenes","CrystEngComm","2018","20","1","128","","10.1039/C7CE01574G","","","0.71073","MoKα","","0.1038","0.0649","","","0.1444","0.1611","","","","","","1.042","","","","has coordinates","228931","2020-10-21","18:00:00",""
"7229635","25.4312","0.00012","25.4312","0.00012","6.06772","0.00003","90","","90","","90","","3924.27","0.03","293","","293","","","","","","","","","4","P 42/n :2","-P 4bc","86","C12 H22 N4 O2, C6 H6 O2","","","- C18 H28 N4 O4 -","- C18 H28 N4 O4 -","- C144 H224 N32 O32 -","8","1","","Prohens, Rafel; Portell, Anna; Vallcorba, Oriol; Font-Bardia, Mercè; Bauzá, Antonio; Frontera, Antonio","Polymorphism in secondary squaramides: on the importance of π-interactions involving the four membered ring","CrystEngComm","2018","20","2","237","","10.1039/C7CE01945A","powder diffraction","","1.5418","CuKα","","","","","","","","","2.7267","9.52","","","","","","","has coordinates","229002","2020-10-21","18:00:00",""
"7229636","29.624","0.0017","6.0611","0.0002","8.6488","0.0003","90","","101.974","0.004","90","","1519.14","0.12","333","","333","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","bis([1,2,3]triazolo)[1,5-a:5',1'-k][1,10]phenanthroline","","- C12 H22 N4 O2 -","- C12 H22 N4 O2 -","- C48 H88 N16 O8 -","4","0.5","","Prohens, Rafel; Portell, Anna; Vallcorba, Oriol; Font-Bardia, Mercè; Bauzá, Antonio; Frontera, Antonio","Polymorphism in secondary squaramides: on the importance of π-interactions involving the four membered ring","CrystEngComm","2018","20","2","237","","10.1039/C7CE01945A","powder diffraction","","1.5418","CuKα","","","","","","","","","0.039","10.589","","","","","","","has coordinates","229002","2020-10-21","18:00:00",""
"7229637","16.185","0.014","29.012","0.018","6.093","0.004","90","","90","","90","","2861","4","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C12 H22 N4 O2 -","- C12 H22 N4 O2 -","- C96 H176 N32 O16 -","8","0.5","","Prohens, Rafel; Portell, Anna; Vallcorba, Oriol; Font-Bardia, Mercè; Bauzá, Antonio; Frontera, Antonio","Polymorphism in secondary squaramides: on the importance of π-interactions involving the four membered ring","CrystEngComm","2018","20","2","237","","10.1039/C7CE01945A","","","0.71073","MoKα","","0.095","0.0695","","","0.1901","0.2027","","","","","","1.137","","","","has coordinates","229002","2020-10-21","18:00:00",""
"7229638","6.0552","0.0003","14.4565","0.0008","15.8765","0.0009","90","","97.773","0.002","90","","1377.01","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N?-bis(2-(dimethylamino)ethyl)squaramide","","- C12 H22 N4 O2 -","- C12 H22 N4 O2 -","- C48 H88 N16 O8 -","4","1","","Prohens, Rafel; Portell, Anna; Vallcorba, Oriol; Font-Bardia, Mercè; Bauzá, Antonio; Frontera, Antonio","Polymorphism in secondary squaramides: on the importance of π-interactions involving the four membered ring","CrystEngComm","2018","20","2","237","","10.1039/C7CE01945A","","","0.71073","MoKα","","0.0531","0.0445","","","0.1136","0.1215","","","","","","1.076","","","","has coordinates","229002","2020-10-21","18:00:00",""
"7229639","7.0282","0.0006","9.9007","0.0008","17.2379","0.0015","90","","90","","90","","1199.48","0.18","101","2","101","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-(2,2,3-trimethyl-1,3-oxazolidin-5-yl)butane-1,2,3,4-tetrol","","- C10 H21 N O5 -","- C10 H21 N O5 -","- C40 H84 N4 O20 -","4","1","","Svärd, Michael; Krishna, Gamidi Rama; Rasmuson, Åke C.","Synthesis, crystallisation and thermodynamics of two polymorphs of a new derivative of meglumine: 1-(2,2,3-trimethyl-1,3-oxazolidin-5-yl)-butane-1,2,3,4-tetrol","CrystEngComm","2018","20","1","88","","10.1039/C7CE01135K","","","0.71073","MoKα","","0.0312","0.0275","","","0.0675","0.0698","","","","","","1.03","","","","has coordinates","228928","2020-10-21","18:00:00",""
"7229640","6.0781","0.0003","10.8821","0.0006","17.8535","0.001","90","","90","","90","","1180.87","0.11","100","2","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-(2,2,3-trimethyl-1,3-oxazolidin-5-yl)butane-1,2,3,4-tetrol","","- C10 H21 N O5 -","- C10 H21 N O5 -","- C40 H84 N4 O20 -","4","1","","Svärd, Michael; Krishna, Gamidi Rama; Rasmuson, Åke C.","Synthesis, crystallisation and thermodynamics of two polymorphs of a new derivative of meglumine: 1-(2,2,3-trimethyl-1,3-oxazolidin-5-yl)-butane-1,2,3,4-tetrol","CrystEngComm","2018","20","1","88","","10.1039/C7CE01135K","","","0.71073","MoKα","","0.0229","0.0228","","","0.0595","0.0596","","","","","","1.072","","","","has coordinates","228928","2020-10-21","18:00:00",""
"7229641","6.1053","0.0004","10.9507","0.0007","18.1001","0.0011","90","","90","","90","","1210.12","0.13","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-(2,2,3-trimethyl-1,3-oxazolidin-5-yl)butane-1,2,3,4-tetrol","","- C10 H21 N O5 -","- C10 H21 N O5 -","- C40 H84 N4 O20 -","4","1","","Svärd, Michael; Krishna, Gamidi Rama; Rasmuson, Åke C.","Synthesis, crystallisation and thermodynamics of two polymorphs of a new derivative of meglumine: 1-(2,2,3-trimethyl-1,3-oxazolidin-5-yl)-butane-1,2,3,4-tetrol","CrystEngComm","2018","20","1","88","","10.1039/C7CE01135K","","","0.71073","MoKα","","0.0444","0.0369","","","0.0887","0.1008","","","","","","1.165","","","","has coordinates","228928","2020-10-21","18:00:00",""
"7229642","9.7371","0.0002","9.7371","0.0002","22.4924","0.0005","90","","90","","120","","1846.82","0.07","100","2","100","2","","","","","","","","6","P 63/m","-P 6c","176","","potassium manganese(II) oxalatophosphite","","- C2 H6 K2 Mn2 O12 P2 -","- C2 H6 K2 Mn2 O12 P2 -","- C12 H36 K12 Mn12 O72 P12 -","6","0.5","","Orive, Joseba; Sivasamy, Ramesh; Fernández de Luis, Roberto; Mosquera, Edgar; Arriortua, María I.","K2MnII2(H2O)2C2O4(HPO3)2: a new 2D manganese(ii) oxalatophosphite with double-layered honeycomb sheets stabilized by potassium ions","CrystEngComm","2018","20","3","301","","10.1039/C7CE01637A","","x-ray","0.71073","MoKα","","0.0259","0.0241","","","0.0529","0.054","","","","","","1.053","","","","has coordinates","229160","2020-10-21","18:00:00",""
"7229643","43.386","0.006","4.9901","0.0007","15.449","0.002","90","","97.972","0.004","90","","3312.4","0.8","293","","293","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C43 H46 N2 -","- C43 H46 N2 -","- C172 H184 N8 -","4","0.5","","Duan, Wen-Long; Wang, Hao-Cheng; Martí-Rujas, Javier; Guo, Fang","Fluorescence-based detection of nitroaromatics using a luminescent second sphere adduct self-assembled by charge-assisted hydrogen bonds","CrystEngComm","2018","20","3","323","","10.1039/C7CE01743J","","","0.71076","MoKα","","0.1702","0.0678","","","0.1204","0.1532","","","","","","1.005","","","","has coordinates","229163","2020-10-21","18:00:00",""
"7229644","16.811","0.002","16.372","0.002","15.924","0.002","90","","113.537","0.002","90","","4018.1","0.9","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43 H48 Cl4 Cu N2 -","- C43 H48 Cl4 Cu N2 -","- C172 H192 Cl16 Cu4 N8 -","4","0.5","","Duan, Wen-Long; Wang, Hao-Cheng; Martí-Rujas, Javier; Guo, Fang","Fluorescence-based detection of nitroaromatics using a luminescent second sphere adduct self-assembled by charge-assisted hydrogen bonds","CrystEngComm","2018","20","3","323","","10.1039/C7CE01743J","","","0.71073","MoKα","","0.1173","0.0916","","","0.2332","0.2536","","","","","","1.057","","","","has coordinates","229163","2020-10-21","18:00:00",""
"7229645","16.826","0.016","16.442","0.016","15.963","0.015","90","","112.175","0.011","90","","4090","7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43 H48 Cl4 Co N2 -","- C43 H48 Cl4 Co N2 -","- C172 H192 Cl16 Co4 N8 -","4","0.5","","Duan, Wen-Long; Wang, Hao-Cheng; Martí-Rujas, Javier; Guo, Fang","Fluorescence-based detection of nitroaromatics using a luminescent second sphere adduct self-assembled by charge-assisted hydrogen bonds","CrystEngComm","2018","20","3","323","","10.1039/C7CE01743J","","","0.71073","MoKα","","0.0686","0.0478","","","0.1236","0.1355","","","","","","1.038","","","","has coordinates","229163","2020-10-21","18:00:00",""
"7229646","16.92","0.003","16.352","0.003","16.032","0.003","90","","113.205","0.002","90","","4076.8","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43 H48 Cd Cl4 N2 -","- C43 H48 Cd Cl4 N2 -","- C172 H192 Cd4 Cl16 N8 -","4","0.5","","Duan, Wen-Long; Wang, Hao-Cheng; Martí-Rujas, Javier; Guo, Fang","Fluorescence-based detection of nitroaromatics using a luminescent second sphere adduct self-assembled by charge-assisted hydrogen bonds","CrystEngComm","2018","20","3","323","","10.1039/C7CE01743J","","","0.71073","MoKα","","0.0704","0.0536","","","0.1363","0.1457","","","","","","1.058","","","","has coordinates","229163","2020-10-21","18:00:00",""
"7229647","11.3233","0.0012","11.3295","0.0011","16.0792","0.0016","92.539","0.003","95.904","0.003","96.359","0.003","2036","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H48 Cl2 N2 O2 -","- C45 H48 Cl2 N2 O2 -","- C90 H96 Cl4 N4 O4 -","2","1","","Duan, Wen-Long; Wang, Hao-Cheng; Martí-Rujas, Javier; Guo, Fang","Fluorescence-based detection of nitroaromatics using a luminescent second sphere adduct self-assembled by charge-assisted hydrogen bonds","CrystEngComm","2018","20","3","323","","10.1039/C7CE01743J","","","0.71076","MoKα","","0.1693","0.1368","","","0.4093","0.4515","","","","","","1.97","","","","has coordinates","229163","2020-10-21","18:00:00",""
"7229660","5.7537","0.0006","9.6831","0.0011","20.806","0.002","90","","90","","90","","1159.2","0.2","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 N O Se -","- C13 H13 N O Se -","- C52 H52 N4 O4 Se4 -","4","1","","Holzer, Brigitte; Stöger, Berthold; Kautny, Paul; Reider, Georg; Hametner, Christian; Fröhlich, Johannes; Lumpi, Daniel","A novel selenoalkenyl-isoxazole based donor-acceptor nonlinear optical material.","CrystEngComm","2018","20","1","12","16","10.1039/c7ce01925d","","x-ray","0.71073","MoKα","","0.0298","0.0249","","","0.03","0.0306","","","","1.56","1.56","1.52","","","","has coordinates","228932","2020-10-21","18:00:00",""
"7229662","11.5785","0.0004","10.1983","0.0004","6.3875","0.0002","90","","90","","90","","754.24","0.05","305","0.1","305","0.1","","","","","","","","2","P n m a","-P 2ac 2n","62","","Hexachloroethane","","- C2 Cl6 -","- C2 Cl6 -","- C8 Cl24 -","4","0.5","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Loose crystals engineered by mismatched halogen bonds in hexachloroethane","CrystEngComm","2018","20","3","328","","10.1039/C7CE01980G","","","0.71073","MoKα","","0.0487","0.036","","","0.1079","0.1114","","","","","","1.098","","","","has coordinates","229164","2020-10-21","18:00:00",""
"7229663","11.2102","0.0003","10.0001","0.0003","6.33101","0.00016","90","","90","","90","","709.73","0.03","85","0.5","85","0.5","","","","","","","","2","P n m a","-P 2ac 2n","62","","Hexachloroethane","","- C2 Cl6 -","- C2 Cl6 -","- C8 Cl24 -","4","0.5","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Loose crystals engineered by mismatched halogen bonds in hexachloroethane","CrystEngComm","2018","20","3","328","","10.1039/C7CE01980G","","","0.71073","MoKα","","0.0144","0.0122","","","0.0314","0.0318","","","","","","1.148","","","","has coordinates","229164","2020-10-21","18:00:00",""
"7229664","10.618","0.003","9.5461","0.0003","5.9958","0.0002","90","","90","","90","","607.74","0.17","295","2","295","2","","","3190000","","","","","2","P n m a","-P 2ac 2n","62","","Hexachloroethane","","- C2 Cl6 -","- C2 Cl6 -","- C8 Cl24 -","4","0.5","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Loose crystals engineered by mismatched halogen bonds in hexachloroethane","CrystEngComm","2018","20","3","328","","10.1039/C7CE01980G","","","0.71073","MoKα","","0.0251","0.0201","","","0.0566","0.0601","","","","","","1.137","","","","has coordinates","229164","2020-10-21","18:00:00",""
"7229665","10.502","0.003","9.4708","0.0003","5.93353","0.00019","90","","90","","90","","590.16","0.17","295","2","295","2","","","4020000","","","","","2","P n m a","-P 2ac 2n","62","","Hexachloroethane","","- C2 Cl6 -","- C2 Cl6 -","- C8 Cl24 -","4","0.5","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Loose crystals engineered by mismatched halogen bonds in hexachloroethane","CrystEngComm","2018","20","3","328","","10.1039/C7CE01980G","","","0.71073","MoKα","","0.024","0.019","","","0.0406","0.0434","","","","","","1.213","","","","has coordinates","229164","2020-10-21","18:00:00",""
"7229666","10.864","0.016","9.7573","0.0012","6.1183","0.0007","90","","90","","90","","648.6","1","295","2","295","2","","","1600000","","","","","2","P n m a","-P 2ac 2n","62","","Hexachloroethane","","- C2 Cl6 -","- C2 Cl6 -","- C8 Cl24 -","4","0.5","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Loose crystals engineered by mismatched halogen bonds in hexachloroethane","CrystEngComm","2018","20","3","328","","10.1039/C7CE01980G","","","0.71073","MoKα","","0.1526","0.0706","","","0.161","0.2183","","","","","","1.048","","","","has coordinates","229164","2020-10-21","18:00:00",""
"7229667","11.5358","0.0004","10.1791","0.0003","6.4013","0.0002","90","","90","","90","","751.67","0.04","293","0.1","293","0.1","","","","","","","","2","P n m a","-P 2ac 2n","62","","Hexachloroethane","","- C2 Cl6 -","- C2 Cl6 -","- C8 Cl24 -","4","0.5","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Loose crystals engineered by mismatched halogen bonds in hexachloroethane","CrystEngComm","2018","20","3","328","","10.1039/C7CE01980G","","","0.71073","MoKα","","0.0373","0.0286","","","0.0889","0.0911","","","","","","1.121","","","","has coordinates","229164","2020-10-21","18:00:00",""
"7229668","11.2254","0.0002","10.0086","0.0002","6.33713","0.00014","90","","90","","90","","711.98","0.02","100","0.1","100","0.1","","","","","","","","2","P n m a","-P 2ac 2n","62","","Hexachloroethane","","- C2 Cl6 -","- C2 Cl6 -","- C8 Cl24 -","4","0.5","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Loose crystals engineered by mismatched halogen bonds in hexachloroethane","CrystEngComm","2018","20","3","328","","10.1039/C7CE01980G","","","0.71073","MoKα","","0.0155","0.0128","","","0.0331","0.0442","","","","","","1.397","","","","has coordinates","229164","2020-10-21","18:00:00",""
"7229682","9.1366","0.0003","9.1366","0.0003","14.4247","0.0011","90","","90","","120","","1042.81","0.09","295","2","295","2","","","","","","","","6","P 63 2 2","P 6c 2c","182","","","","- C6 H24 Ag2 I4 Mn N6 -","- C6 H24 Ag2 I4 Mn N6 -","- C12 H48 Ag4 I8 Mn2 N12 -","2","0.166667","","Chen, Xin; Yao, Zhi-Yuan; Xue, Chen; Yang, Zhu-Xi; Liu, Jian-Lan; Ren, Xiao-Ming","Novel isomorphism of two hexagonal non-centrosymmetric hybrid crystals of M(en)3Ag2I4 (M = transition metal Mn2+ or main-group metal Mg2+; en = ethylenediamine)","CrystEngComm","2018","20","3","356","","10.1039/C7CE02005H","","","0.71073","MoKα","","0.0186","0.0181","","","0.0386","0.0388","","","","","","1.199","","","","has coordinates","229159","2020-10-21","18:00:00",""
"7229683","9.0744","0.0008","9.0744","0.0008","14.453","0.002","90","","90","","120","","1030.68","0.19","273","2","273","2","","","","","","","","6","P 63 2 2","P 6c 2c","182","","","","- C6 H24 Ag2 I4 Mg N6 -","- C6 H24 Ag2 I4 Mg N6 -","- C12 H48 Ag4 I8 Mg2 N12 -","2","0.166667","","Chen, Xin; Yao, Zhi-Yuan; Xue, Chen; Yang, Zhu-Xi; Liu, Jian-Lan; Ren, Xiao-Ming","Novel isomorphism of two hexagonal non-centrosymmetric hybrid crystals of M(en)3Ag2I4 (M = transition metal Mn2+ or main-group metal Mg2+; en = ethylenediamine)","CrystEngComm","2018","20","3","356","","10.1039/C7CE02005H","","","0.71073","MoKα","","0.0176","0.0174","","","0.0342","0.0343","","","","","","1.171","","","","has coordinates","229159","2020-10-21","18:00:00",""
"7229684","8.8986","0.0017","7.9933","0.0015","14.175","0.003","90","","97.628","0.003","90","","999.3","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Z)-3-carbamoyl-1-(3-carboxy-1,1-dihydroxyprop-2-en-1-ide-2-yl) pyridin-1-ium","","- C10 H8 N2 O5 -","- C10 H8 N2 O5 -","- C40 H32 N8 O20 -","4","1","","Lombard, Jean; Loots, Leigh; le Roex, Tanya; Haynes, Delia A.","Formation of multi-component crystals with a series of pyridinium-carboxyacrylate zwitterions","CrystEngComm","2018","20","1","25","","10.1039/C7CE01953J","","","0.71073","MoKα","","0.0572","0.0445","","","0.1081","0.1163","","","","","","1.052","","","","has coordinates","228933","2020-10-21","18:00:00",""
"7229685","3.671","0.003","7.594","0.005","13.772","0.01","95.723","0.008","93.218","0.008","97.153","0.008","378.1","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H7 N2 O3 -","- C8 H7 N2 O3 -","- C16 H14 N4 O6 -","2","1","","Lombard, Jean; Loots, Leigh; le Roex, Tanya; Haynes, Delia A.","Formation of multi-component crystals with a series of pyridinium-carboxyacrylate zwitterions","CrystEngComm","2018","20","1","25","","10.1039/C7CE01953J","","","0.71073","MoKα","","0.0506","0.0424","","","0.1158","0.1224","","","","","","1.076","","","","has coordinates","228933","2020-10-21","18:00:00",""
"7229686","17.184","0.015","7.328","0.005","13.045","0.009","90","","111.257","0.01","90","","1531","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,4,6-triamino-1,3,5-triazin-1-ium 2-(4-cyanopyridin-1-ium-1-yl)fumarate hydrate","","- C13 H14 N8 O5 -","- C13 H14 N8 O5 -","- C52 H56 N32 O20 -","4","1","","Lombard, Jean; Loots, Leigh; le Roex, Tanya; Haynes, Delia A.","Formation of multi-component crystals with a series of pyridinium-carboxyacrylate zwitterions","CrystEngComm","2018","20","1","25","","10.1039/C7CE01953J","","","0.71073","MoKα","","0.1228","0.056","","","0.1285","0.1593","","","","","","1.055","","","","has coordinates","228933","2020-10-21","18:00:00",""
"7229687","7.2047","0.0011","7.5455","0.0011","10.8058","0.0016","91.8","0.002","100.509","0.002","115.757","0.002","516.12","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(Z)-4-carbamoyl-1-(3-carboxy-1,1-dihydroxyprop-2-en-1-ide-2-yl) pyridin-1-ium","","- C10 H10 N2 O6 -","- C10 H10 N2 O6 -","- C20 H20 N4 O12 -","2","1","","Lombard, Jean; Loots, Leigh; le Roex, Tanya; Haynes, Delia A.","Formation of multi-component crystals with a series of pyridinium-carboxyacrylate zwitterions","CrystEngComm","2018","20","1","25","","10.1039/C7CE01953J","","","0.71073","MoKα","","0.0342","0.0317","","","0.0854","0.0875","","","","","","1.048","","","","has coordinates","228933","2020-10-21","18:00:00",""
"7229688","5.7312","0.0005","12.3326","0.001","12.8974","0.0011","71.53","0.002","86.574","0.003","89.673","0.003","863.01","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1,3,5-triazine-2,4,6-triamine (Z)-2-(3-carbamoylpyridin-1-ium-1-yl) -1,1-dihydroxybut-2-en-1-ideoate dihydrate","","- C13 H18 N8 O7 -","- C13 H18 N8 O7 -","- C26 H36 N16 O14 -","2","1","","Lombard, Jean; Loots, Leigh; le Roex, Tanya; Haynes, Delia A.","Formation of multi-component crystals with a series of pyridinium-carboxyacrylate zwitterions","CrystEngComm","2018","20","1","25","","10.1039/C7CE01953J","","","0.71073","MoKα","","0.1008","0.0719","","","0.1331","0.1448","","","","","","1.103","","","","has coordinates,has disorder","228933","2020-10-21","18:00:00",""
"7229689","8.6886","0.0003","8.9638","0.0003","11.2137","0.0004","94.473","0.002","103.931","0.002","106.657","0.001","801.88","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1,3,5-triazine-2,4,6-triamine (Z)-2-(4-carbamoylpyridin-1-ium-1-yl) -1,1-dihydroxybut-2-en-1-ideoate dihydrate","","- C13 H16 N8 O6 -","- C13 H16 N8 O6 -","- C26 H32 N16 O12 -","2","1","","Lombard, Jean; Loots, Leigh; le Roex, Tanya; Haynes, Delia A.","Formation of multi-component crystals with a series of pyridinium-carboxyacrylate zwitterions","CrystEngComm","2018","20","1","25","","10.1039/C7CE01953J","","","0.71073","MoKα","","0.0567","0.0452","","","0.0996","0.1066","","","","","","1.07","","","","has coordinates","228933","2020-10-21","18:00:00",""
"7229690","11.4209","0.0002","20.5581","0.0004","9.97928","0.00018","90","","91.597","0.0011","90","","2342.15","0.07","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21.5 H17 F3 N5 O4 S2 -","- C21.5 H17 F3 N5 O4 S2 -","- C86 H68 F12 N20 O16 S8 -","4","1","","Tanida, S.; Takata, N.; Takano, R.; Sakon, A.; Ueto, T.; Shiraki, K.; Kadota, K.; Tozuka, Y.; Ishigai, M.","Cocrystal structure design for CH5134731 based on isomorphism","CrystEngComm","2018","20","3","362","","10.1039/C7CE01878A","","","1.54187","CuKα","","0.0929","0.0627","","","0.1493","0.1669","","","","","","0.892","","","","has coordinates,has disorder","229161","2020-10-21","18:00:00",""
"7229691","11.2994","0.0002","20.5599","0.0004","10.11464","0.00018","90","","92.3835","0.0008","90","","2347.74","0.07","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21.5 H18 F3 N5 O3.5 S2 -","- C21.5 H18 F3 N5 O3.5 S2 -","- C86 H72 F12 N20 O14 S8 -","4","1","","Tanida, S.; Takata, N.; Takano, R.; Sakon, A.; Ueto, T.; Shiraki, K.; Kadota, K.; Tozuka, Y.; Ishigai, M.","Cocrystal structure design for CH5134731 based on isomorphism","CrystEngComm","2018","20","3","362","","10.1039/C7CE01878A","","","1.54187","CuKα","","0.0423","0.0376","","","0.0971","0.1019","","","","","","1.092","","","","has coordinates,has disorder","229161","2020-10-21","18:00:00",""
"7229692","11.2642","0.0002","20.5587","0.0004","10.11845","0.00018","90","","91.9094","0.0007","90","","2341.9","0.07","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21.5 H18 F3 N5 O3.5 S2 -","- C21.5 H18 F3 N5 O3.5 S2 -","- C86 H72 F12 N20 O14 S8 -","4","1","","Tanida, S.; Takata, N.; Takano, R.; Sakon, A.; Ueto, T.; Shiraki, K.; Kadota, K.; Tozuka, Y.; Ishigai, M.","Cocrystal structure design for CH5134731 based on isomorphism","CrystEngComm","2018","20","3","362","","10.1039/C7CE01878A","","","1.54187","CuKα","","0.0467","0.0415","","","0.1034","0.1075","","","","","","1.084","","","","has coordinates,has disorder","229161","2020-10-21","18:00:00",""
"7229693","11.24851","0.00018","20.6292","0.0004","10.0577","0.0002","90","","91.7969","0.0009","90","","2332.72","0.07","93","","93","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16.5 Cl0.5 F3 N5 O3 S2 -","- C21 H16.5 Cl0.5 F3 N5 O3 S2 -","- C84 H66 Cl2 F12 N20 O12 S8 -","4","1","","Tanida, S.; Takata, N.; Takano, R.; Sakon, A.; Ueto, T.; Shiraki, K.; Kadota, K.; Tozuka, Y.; Ishigai, M.","Cocrystal structure design for CH5134731 based on isomorphism","CrystEngComm","2018","20","3","362","","10.1039/C7CE01878A","","","1.54187","CuKα","","0.0738","0.0478","","","0.1352","0.1917","","","","","","1.068","","","","has coordinates,has disorder","229161","2020-10-21","18:00:00",""
"7229722","11.8378","0.0003","13.0103","0.0003","16.5916","0.0003","67.729","0.0019","71.634","0.002","78.1997","0.0019","2233.7","0.09","116.95","0.1","116.95","0.1","","","","","","","no","5","P 1","P 1","1","no","salt of titanyl phthalocyanine with tetrapentylammonium cations","","- C104 H120 N18 O2 Ti2 -","- C104 H120 N18 O2 Ti2 -","- C104 H120 N18 O2 Ti2 -","1","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Batov, Mikhail S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","Salts with titanyl and vanadyl phthalocyanine radical anions. Molecular design and effect of cations on the structure and magnetic and optical properties","CrystEngComm","2018","20","4","385","","10.1039/C7CE01918A","","x-ray","0.71073","MoKα","","0.045","0.0379","","","0.092","0.0963","","","","","","1.041","","","","has coordinates,has disorder","228994","2020-10-21","18:00:00",""
"7229723","13.4984","0.0003","24.7177","0.0005","13.8468","0.0003","90","","98.086","0.002","90","","4574.04","0.17","150","2","150","2","","","","","","","no","5","P 1 21/n 1","-P 2yn","14","no","salt of titanyl phthalocyanine with N-mehyldiazabicyclooctanium cation and neutral trypticene molecule","","- C59 H45 N10 O Ti -","- C59 H45 N10 O Ti -","- C236 H180 N40 O4 Ti4 -","4","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Batov, Mikhail S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","Salts with titanyl and vanadyl phthalocyanine radical anions. Molecular design and effect of cations on the structure and magnetic and optical properties","CrystEngComm","2018","20","4","385","","10.1039/C7CE01918A","","","0.71073","MoKα","","0.1328","0.0455","","","0.0728","0.0814","","","","","","0.733","","","","has coordinates,has disorder","228994","2020-10-21","18:00:00",""
"7229724","22.92","0.0006","11.7027","0.0003","21.2051","0.0006","90","","95.783","0.003","90","","5658.8","0.3","109.95","0.1","109.95","0.1","","","","","","","no","6","C 1 c 1","C -2yc","9","no","salt of vanadyl phthalocyanine with tetrahexylammonium cation, o-dichlobenzene solvate","","- C62 H72 Cl2 N9 O V -","- C62 H72 Cl2 N9 O V -","- C248 H288 Cl8 N36 O4 V4 -","4","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Batov, Mikhail S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","Salts with titanyl and vanadyl phthalocyanine radical anions. Molecular design and effect of cations on the structure and magnetic and optical properties","CrystEngComm","2018","20","4","385","","10.1039/C7CE01918A","","x-ray","0.71073","MoKα","","0.0521","0.0406","","","0.0835","0.0898","","","","","","1.026","","","","has coordinates,has disorder","228994","2020-10-21","18:00:00",""
"7229725","19.5955","0.0011","17.1171","0.001","19.1812","0.0013","90","","99.444","0.006","90","","6346.5","0.7","150","0.14","150","0.14","","","","","","","no","5","C 1 2/c 1","-C 2yc","15","no","salt of titanyl phthalocyanine with N-methyldiazabicyclooctanium cation","","- C39 H31 N10 O Ti -","- C39 H30.9997 N10 O Ti -","- C312 H247.998 N80 O8 Ti8 -","8","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Batov, Mikhail S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","Salts with titanyl and vanadyl phthalocyanine radical anions. Molecular design and effect of cations on the structure and magnetic and optical properties","CrystEngComm","2018","20","4","385","","10.1039/C7CE01918A","","x-ray","0.71073","MoKα","","0.1149","0.0613","","","0.1229","0.1467","","","","","","1.011","","","","has coordinates,has disorder","228994","2020-10-21","18:00:00",""
"7229726","11.8287","0.0004","13.0419","0.0004","16.6492","0.0005","67.7","0.003","71.527","0.003","78.147","0.002","2243.27","0.14","116.7","0.6","116.7","0.6","","","","","","","no","5","P 1","P 1","1","no","salt of vanadyl phthalocyanine with tetrapentylammonium cation","","- C52 H60 N9 O V -","- C52 H60 N9 O V -","- C104 H120 N18 O2 V2 -","2","2","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Batov, Mikhail S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","Salts with titanyl and vanadyl phthalocyanine radical anions. Molecular design and effect of cations on the structure and magnetic and optical properties","CrystEngComm","2018","20","4","385","","10.1039/C7CE01918A","","","0.71073","MoKα","","0.0586","0.0428","","","0.0927","0.1019","","","","","","1.027","","","","has coordinates,has disorder","228994","2020-10-21","18:00:00",""
"7229727","12.5787","0.0007","13.0731","0.0005","25.4452","0.0017","90","","91.733","0.005","90","","4182.4","0.4","130","0.14","130","0.14","","","","","","","no","6","P 1 21/c 1","-P 2ybc","14","no","salt of titanyl phthalocyanine with two N-methyldiazabicyclooctanium cations and iodine anion","","- C46 H46 I N12 O Ti -","- C46 H46 I N12 O Ti -","- C184 H184 I4 N48 O4 Ti4 -","4","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Batov, Mikhail S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","Salts with titanyl and vanadyl phthalocyanine radical anions. Molecular design and effect of cations on the structure and magnetic and optical properties","CrystEngComm","2018","20","4","385","","10.1039/C7CE01918A","","x-ray","0.71073","MoKα","","0.0664","0.0485","","","0.0943","0.1006","","","","","","1.102","","","","has coordinates,has disorder","228994","2020-10-21","18:00:00",""
"7229728","12.5922","0.0003","13.0726","0.0002","25.407","0.0007","90","","91.73","0.002","90","","4180.41","0.17","129.7","0.7","129.7","0.7","","","","","","","no","6","P 1 21/c 1","-P 2ybc","14","no","salt of vanadyl phthalocyanine with two N-methyldiazabicyclooctanium cations and iodine anion","","- C46 H46 I N12 O V -","- C46 H46 I N12 O V -","- C184 H184 I4 N48 O4 V4 -","4","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Batov, Mikhail S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","Salts with titanyl and vanadyl phthalocyanine radical anions. Molecular design and effect of cations on the structure and magnetic and optical properties","CrystEngComm","2018","20","4","385","","10.1039/C7CE01918A","","x-ray","0.71073","MoKα","","0.0491","0.0373","","","0.0788","0.0833","","","","","","1.094","","","","has coordinates","228994","2020-10-21","18:00:00",""
"7229729","11.8705","0.0005","31.689","0.002","23.8325","0.0009","90","","90","","90","","8964.9","0.8","293","2","293","","","","","","","","no","5","P c c n","-P 2ab 2ac","56","no","salt of vanadyl phthalocyanine radical anions with di(i_propyl)inidazolium cations","","- C41 H33 N10 O V -","- C41 H33 N10 O V -","- C328 H264 N80 O8 V8 -","8","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Batov, Mikhail S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","Salts with titanyl and vanadyl phthalocyanine radical anions. Molecular design and effect of cations on the structure and magnetic and optical properties","CrystEngComm","2018","20","4","385","","10.1039/C7CE01918A","","","0.71073","MoKα","","0.1678","0.1294","","","0.3366","0.3624","","","","","","1.04","","","","has coordinates,has disorder","228994","2020-10-21","18:00:00",""
"7229730","23.2181","0.0005","11.4301","0.0002","21.4414","0.0004","90","","96.059","0.002","90","","5658.44","0.19","100","","100","","","","","","","","no","6","P 1 c 1","P -2yc","7","no","salt of titanyl phthalocyanine with tetrahexylammonium cations, o-dichlorobenzene solate","","- C62 H72 Cl2 N9 O Ti -","- C62 H72 Cl2 N9 O Ti -","- C248 H288 Cl8 N36 O4 Ti4 -","4","2","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Batov, Mikhail S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","Salts with titanyl and vanadyl phthalocyanine radical anions. Molecular design and effect of cations on the structure and magnetic and optical properties","CrystEngComm","2018","20","4","385","","10.1039/C7CE01918A","","","0.71073","MoKα","","0.0835","0.0544","","","0.1158","0.1282","","","","","","1.026","","","","has coordinates","228994","2020-10-21","18:00:00",""
"7229734","13.485","0.003","16.959","0.003","29.331","0.006","96.95","0.03","101.33","0.03","111.95","0.03","5959","3","253","2","253","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H196 Ag22 I34 La4 O34 S32 -","- C64 H24 Ag22 I34 La4 O34 S32 -","- C64 H24 Ag22 I34 La4 O34 S32 -","1","0.5","","Shen, Yali; Zhang, Limei; Sun, Peipei; Liu, Shuzhen; Jiang, Wenqing; Jia, Dingxian","Iodoargentates from clusters to 1D chains and 2D layers induced by solvated lanthanide complex cations: syntheses, crystal structures, and photoluminescence properties","CrystEngComm","2018","20","4","520","","10.1039/C7CE01833A","","","0.71073","MoKα","","0.0662","0.043","","","0.0808","0.1062","","","","","","1.14","","","","has coordinates","228995","2020-10-21","18:00:00",""
"7229735","13.4179","0.0016","16.9025","0.0005","29.074","0.005","97.12","0.006","101.305","0.001","112.265","0.006","5839.3","1.3","253","2","253","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H196 Ag22 Ce4 I34 O34 S32 -","- C64 H36 Ag22 Ce4 I34 O34 S32 -","- C64 H36 Ag22 Ce4 I34 O34 S32 -","1","0.5","","Shen, Yali; Zhang, Limei; Sun, Peipei; Liu, Shuzhen; Jiang, Wenqing; Jia, Dingxian","Iodoargentates from clusters to 1D chains and 2D layers induced by solvated lanthanide complex cations: syntheses, crystal structures, and photoluminescence properties","CrystEngComm","2018","20","4","520","","10.1039/C7CE01833A","","","0.71075","MoKα","","0.0663","0.0406","","","0.0935","0.1072","","","","","","1.077","","","","has coordinates","228995","2020-10-21","18:00:00",""
"7229736","12.436","0.003","23.39","0.005","21.007","0.004","90","","99.67","0.03","90","","6024","2","253","2","253","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H48 Ag7 I10 O8 S8 Tb -","- C16 H30 Ag7 I10 O8 S8 Tb -","- C64 H120 Ag28 I40 O32 S32 Tb4 -","4","1","","Shen, Yali; Zhang, Limei; Sun, Peipei; Liu, Shuzhen; Jiang, Wenqing; Jia, Dingxian","Iodoargentates from clusters to 1D chains and 2D layers induced by solvated lanthanide complex cations: syntheses, crystal structures, and photoluminescence properties","CrystEngComm","2018","20","4","520","","10.1039/C7CE01833A","","","0.71073","MoKα","","0.0607","0.0403","","","0.0895","0.1097","","","","","","1.15","","","","has coordinates","228995","2020-10-21","18:00:00",""
"7229737","17.574","0.003","14.937","0.003","22.48","0.008","90","","122.31","0.02","90","","4987","2","253","2","253","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H42 Ag5 I8 O7 S7 Yb -","- C14 H36 Ag5 I8 O7 S7 Yb -","- C56 H144 Ag20 I32 O28 S28 Yb4 -","4","1","","Shen, Yali; Zhang, Limei; Sun, Peipei; Liu, Shuzhen; Jiang, Wenqing; Jia, Dingxian","Iodoargentates from clusters to 1D chains and 2D layers induced by solvated lanthanide complex cations: syntheses, crystal structures, and photoluminescence properties","CrystEngComm","2018","20","4","520","","10.1039/C7CE01833A","","","0.71073","MoKα","","0.0778","0.0552","","","0.1031","0.1165","","","","","","1.219","","","","has coordinates","228995","2020-10-21","18:00:00",""
"7229738","12.328","0.002","23.283","0.004","20.87","0.004","90","","100.055","0.005","90","","5898.4","1.8","253","2","253","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H48 Ag7 Eu I10 O8 S8 -","- C16 H48 Ag7 Eu I10 O8 S8 -","- C64 H192 Ag28 Eu4 I40 O32 S32 -","4","1","","Shen, Yali; Zhang, Limei; Sun, Peipei; Liu, Shuzhen; Jiang, Wenqing; Jia, Dingxian","Iodoargentates from clusters to 1D chains and 2D layers induced by solvated lanthanide complex cations: syntheses, crystal structures, and photoluminescence properties","CrystEngComm","2018","20","4","520","","10.1039/C7CE01833A","","","0.71073","MoKα","","0.0601","0.0471","","","0.0869","0.1049","","","","","","1.125","","","","has coordinates","228995","2020-10-21","18:00:00",""
"7229739","12.426","0.003","23.378","0.005","20.998","0.004","90","","99.61","0.03","90","","6014","2","253","2","253","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H48 Ag7 Dy I10 O8 S8 -","- C16 H48 Ag7 Dy I10 O8 S8 -","- C64 H192 Ag28 Dy4 I40 O32 S32 -","4","1","","Shen, Yali; Zhang, Limei; Sun, Peipei; Liu, Shuzhen; Jiang, Wenqing; Jia, Dingxian","Iodoargentates from clusters to 1D chains and 2D layers induced by solvated lanthanide complex cations: syntheses, crystal structures, and photoluminescence properties","CrystEngComm","2018","20","4","520","","10.1039/C7CE01833A","","","0.71073","MoKα","","0.0594","0.0339","","","0.0806","0.0991","","","","","","1.127","","","","has coordinates","228995","2020-10-21","18:00:00",""
"7229740","18.8501","0.0004","14.1221","0.0003","7.4387","0.0002","90","","90","","90","","1980.2","0.08","298","","298","","","","","","","","","7","I m m m","-I 2 2","71","As_made_FER","","","- C1.68 H1.9 Al0.17 N0.34 Na0.17 O9 Si4.33 -","- C1.75 H1.8994 Al0.16605 N0.34968 Na0.1662 O9 Si4.33395 -","- C14 H15.1952 Al1.3284 N2.79744 Na1.3296 O72 Si34.6716 -","8","0.5","","Wang, Lei; Xu, Hongyi; Yan, Nana; Correll, Sascha; Xu, Shutao; Guo, Peng; Tian, Peng; Liu, Zhongmin","Exploring Brønsted acids confined in the 10-ring channels of the zeolite ferrierite","CrystEngComm","2018","20","6","699","","10.1039/C7CE01967J","powder diffraction","x-ray","1.5406","'CuKalpha1'","","","","","","","","","0.0228","3.256","","","","","","","has coordinates","229012","2020-10-21","18:00:00",""
"7229741","18.7891","0.0005","14.0936","0.0003","7.4327","0.0002","90","","90","","90","","1968.22","0.09","298","","298","","","","","","","","","6","I m m m","-I 2 2","71","H_FER_Py","zeolite","","- C0.89 H1.19 Al0.33 N0.18 O19.12 Si8.67 -","- C0.9378 H1.1875 Al0.3321 N0.1872 O18.562 Si8.6679 -","- C3.7512 H4.75 Al1.3284 N0.7488 O74.248 Si34.6716 -","4","0.25","","Wang, Lei; Xu, Hongyi; Yan, Nana; Correll, Sascha; Xu, Shutao; Guo, Peng; Tian, Peng; Liu, Zhongmin","Exploring Brønsted acids confined in the 10-ring channels of the zeolite ferrierite","CrystEngComm","2018","20","6","699","","10.1039/C7CE01967J","powder diffraction","x-ray","1.5406","CuKalpha1","","","","","","","","","0.02529","5.215","","","","","","","has coordinates,has disorder","229012","2020-10-21","18:00:00",""
"7229742","6.1256","0.0012","7.9158","0.0016","9.5663","0.0019","90","","103.29","0.03","90","","451.44","0.17","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C4 H11 Br Cl N O4 -","- C4 H11 Br Cl N O4 -","- C8 H22 Br2 Cl2 N2 O8 -","2","0.5","","Lu, Si-Qi; Chen, Xiao-Gang; Gao, Ji-Xing; Lu, Yang; Hua, Xiu-Ni; Liao, Wei-Qiang","High-temperature sequential structural transitions with distinct switchable dielectric behaviors in two organic ionic plastic crystals: [C4H11NBr] [ClO4] and [C4H11NBr] [BF4]","CrystEngComm","2018","20","4","454","","10.1039/C7CE01731F","","","0.71073","MoKα","","0.037","0.0314","","","0.0728","0.0761","","","","","","1.037","","","","has coordinates","228996","2020-10-21","18:00:00",""
"7229743","6.25","0.012","8.164","0.016","9.64","0.02","90","","101.49","0.04","90","","482","1.7","363","2","363","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C4 H11 Br Cl N O4 -","- C4 H11 Br Cl N O4 -","- C8 H22 Br2 Cl2 N2 O8 -","2","0.5","","Lu, Si-Qi; Chen, Xiao-Gang; Gao, Ji-Xing; Lu, Yang; Hua, Xiu-Ni; Liao, Wei-Qiang","High-temperature sequential structural transitions with distinct switchable dielectric behaviors in two organic ionic plastic crystals: [C4H11NBr] [ClO4] and [C4H11NBr] [BF4]","CrystEngComm","2018","20","4","454","","10.1039/C7CE01731F","","","0.71073","MoKα","","0.2346","0.191","","","0.4587","0.4877","","","","","","1.011","","","","has coordinates","228996","2020-10-21","18:00:00",""
"7229744","6.0331","0.0012","7.8583","0.0016","9.5127","0.0019","90","","103.67","0.03","90","","438.22","0.16","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C4 H11 B Br F4 N -","- C4 H11 B Br F4 N -","- C8 H22 B2 Br2 F8 N2 -","2","0.5","","Lu, Si-Qi; Chen, Xiao-Gang; Gao, Ji-Xing; Lu, Yang; Hua, Xiu-Ni; Liao, Wei-Qiang","High-temperature sequential structural transitions with distinct switchable dielectric behaviors in two organic ionic plastic crystals: [C4H11NBr] [ClO4] and [C4H11NBr] [BF4]","CrystEngComm","2018","20","4","454","","10.1039/C7CE01731F","","","0.71073","MoKα","","0.056","0.045","","","0.0996","0.1054","","","","","","1.06","","","","has coordinates","228996","2020-10-21","18:00:00",""
"7229745","6.149","0.018","8.012","0.002","9.507","0.003","90","","101.19","0.02","90","","459.5","1.4","368","2","368","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C4 H11 B Br F4 N -","- C4 H11 B Br F4 N -","- C8 H22 B2 Br2 F8 N2 -","2","0.5","","Lu, Si-Qi; Chen, Xiao-Gang; Gao, Ji-Xing; Lu, Yang; Hua, Xiu-Ni; Liao, Wei-Qiang","High-temperature sequential structural transitions with distinct switchable dielectric behaviors in two organic ionic plastic crystals: [C4H11NBr] [ClO4] and [C4H11NBr] [BF4]","CrystEngComm","2018","20","4","454","","10.1039/C7CE01731F","","","0.71073","MoKα","","0.3247","0.2759","","","0.5531","0.5892","","","","","","1.075","","","","has coordinates","228996","2020-10-21","18:00:00",""
"7229746","21.813","0.004","23.683","0.005","28.76","0.006","90","","100.81","0.03","90","","14594","5","113","2","113","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C58.5 H55 Cu Dy F30 N4 O16 -","- C55 H47 Cu Dy F30 N4 O16 -","- C440 H376 Cu8 Dy8 F240 N32 O128 -","8","2","","Zhu, Mei; Jia, Lingjie; Li, Yang; Li, Yungai; Zhang, Li; Zhang, Wei; Lü, Yaohong","Nitronyl nitroxide bridged 3d‒4f hetero-tri-spin chains: synthesis strategy, crystal structure and magnetic properties","CrystEngComm","2018","20","4","420","","10.1039/C7CE01962A","","","0.71073","MoKα","","0.059","0.0457","","","0.1448","0.1606","","","","","","1.058","","","","has coordinates","228993","2020-10-21","18:00:00",""
"7229747","19.99","0.004","20.024","0.003","21.706","0.004","91.033","0.001","107.294","0.002","114.857","0.002","7424","2","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C115 H97 Cu Dy3 F66 N8 O35 -","- C115 H95 Cu Dy3 F66 N8 O34 -","- C230 H190 Cu2 Dy6 F132 N16 O68 -","2","1","","Zhu, Mei; Jia, Lingjie; Li, Yang; Li, Yungai; Zhang, Li; Zhang, Wei; Lü, Yaohong","Nitronyl nitroxide bridged 3d‒4f hetero-tri-spin chains: synthesis strategy, crystal structure and magnetic properties","CrystEngComm","2018","20","4","420","","10.1039/C7CE01962A","","","0.71073","MoKα","","0.0686","0.0539","","","0.127","0.142","","","","","","0.996","","","","has coordinates","228993","2020-10-21","18:00:00",""
"7229748","19.935","0.007","19.977","0.007","21.785","0.007","107.398","0.005","90.257","0.005","114.428","0.005","7455","4","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C119 H95 Cu F66 Ho3 N8 O34 -","- C119 H95 Cu F66 Ho3 N8 O34 -","- C238 H190 Cu2 F132 Ho6 N16 O68 -","2","1","","Zhu, Mei; Jia, Lingjie; Li, Yang; Li, Yungai; Zhang, Li; Zhang, Wei; Lü, Yaohong","Nitronyl nitroxide bridged 3d‒4f hetero-tri-spin chains: synthesis strategy, crystal structure and magnetic properties","CrystEngComm","2018","20","4","420","","10.1039/C7CE01962A","","","0.71073","MoKα","","0.0682","0.0396","","","0.0855","0.1163","","","","","","1.01","","","","has coordinates","228993","2020-10-21","18:00:00",""
"7229749","20.257","0.004","43.633","0.008","20.173","0.004","90","","113.798","0.004","90","","16314","5","113","2","113","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C135 H103 Cu F66 N8 O34 Pr3 -","- C135 H103 Cu F66 N8 O34 Pr3 -","- C540 H412 Cu4 F264 N32 O136 Pr12 -","4","1","","Zhu, Mei; Jia, Lingjie; Li, Yang; Li, Yungai; Zhang, Li; Zhang, Wei; Lü, Yaohong","Nitronyl nitroxide bridged 3d‒4f hetero-tri-spin chains: synthesis strategy, crystal structure and magnetic properties","CrystEngComm","2018","20","4","420","","10.1039/C7CE01962A","","","0.71073","MoKα","","0.073","0.058","","","0.1517","0.1638","","","","","","0.982","","","","has coordinates","228993","2020-10-21","18:00:00",""
"7229750","20.18","0.003","43.634","0.008","20.077","0.003","90","","113.362","0.003","90","","16229","5","113","2","113","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C135 H103 Cu Eu3 F66 N8 O34 -","- C135 H103 Cu Eu3 F66 N8 O34 -","- C540 H412 Cu4 Eu12 F264 N32 O136 -","4","1","","Zhu, Mei; Jia, Lingjie; Li, Yang; Li, Yungai; Zhang, Li; Zhang, Wei; Lü, Yaohong","Nitronyl nitroxide bridged 3d‒4f hetero-tri-spin chains: synthesis strategy, crystal structure and magnetic properties","CrystEngComm","2018","20","4","420","","10.1039/C7CE01962A","","","0.71073","MoKα","","0.0539","0.0427","","","0.0938","0.0995","","","","","","1.04","","","","has coordinates","228993","2020-10-21","18:00:00",""
"7229751","20.197","0.003","43.511","0.006","20.091","0.003","90","","113.503","0.003","90","","16191","4","113","2","113","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C135 H103 Cu F66 N8 O34 Sm3 -","- C135 H103 Cu F66 N8 O34 Sm3 -","- C540 H412 Cu4 F264 N32 O136 Sm12 -","4","1","","Zhu, Mei; Jia, Lingjie; Li, Yang; Li, Yungai; Zhang, Li; Zhang, Wei; Lü, Yaohong","Nitronyl nitroxide bridged 3d‒4f hetero-tri-spin chains: synthesis strategy, crystal structure and magnetic properties","CrystEngComm","2018","20","4","420","","10.1039/C7CE01962A","","","0.71073","MoKα","","0.0653","0.053","","","0.1455","0.155","","","","","","0.997","","","","has coordinates","228993","2020-10-21","18:00:00",""
"7229752","19.914","0.004","19.939","0.004","21.671","0.004","90.024","0.001","107.316","0.002","114.248","0.003","7415","3","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C119 H95 Cu F66 N8 O34 Yb3 -","- C119 H95 Cu F66 N8 O34 Yb3 -","- C238 H190 Cu2 F132 N16 O68 Yb6 -","2","1","","Zhu, Mei; Jia, Lingjie; Li, Yang; Li, Yungai; Zhang, Li; Zhang, Wei; Lü, Yaohong","Nitronyl nitroxide bridged 3d‒4f hetero-tri-spin chains: synthesis strategy, crystal structure and magnetic properties","CrystEngComm","2018","20","4","420","","10.1039/C7CE01962A","","","0.71073","MoKα","","0.0561","0.0441","","","0.0883","0.0941","","","","","","1.003","","","","has coordinates","228993","2020-10-21","18:00:00",""
"7229753","19.923","0.004","19.96","0.004","21.718","0.004","90.187","0.002","107.28","0.002","114.422","0.002","7429","3","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C119 H95 Cu Er3 F66 N8 O34 -","- C119 H95 Cu Er3 F66 N8 O34 -","- C238 H190 Cu2 Er6 F132 N16 O68 -","2","1","","Zhu, Mei; Jia, Lingjie; Li, Yang; Li, Yungai; Zhang, Li; Zhang, Wei; Lü, Yaohong","Nitronyl nitroxide bridged 3d‒4f hetero-tri-spin chains: synthesis strategy, crystal structure and magnetic properties","CrystEngComm","2018","20","4","420","","10.1039/C7CE01962A","","","0.71073","MoKα","","0.0752","0.0601","","","0.1574","0.1702","","","","","","0.981","","","","has coordinates","228993","2020-10-21","18:00:00",""
"7229756","8.4013","0.0017","16.424","0.003","13.536","0.003","90","","104.34","0.03","90","","1809.5","0.7","113","2","113","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H61 Cl N2 O7 S -","- C33 H61 Cl N2 O7 S -","- C66 H122 Cl2 N4 O14 S2 -","2","1","","Ouyang, Jinbo; Na, Bing; Zhou, Limin; Xiao, Saijin; Xiong, Guoxuan; Jin, Tianxiang","Crystal structures and phase transformation of two novel solvates of valnemulin hydrochloride","CrystEngComm","2018","20","5","563","","10.1039/C7CE01524K","","","0.71073","MoKα","","0.0647","0.048","","","0.0832","0.0903","","","","","","1.018","","","","has coordinates","228962","2020-10-21","18:00:00",""
"7229757","8.3555","0.0017","16.471","0.003","13.319","0.003","90","","105.13","0.03","90","","1769.5","0.7","113","2","113","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H59 Cl N2 O7 S -","- C32 H59 Cl N2 O7 S -","- C64 H118 Cl2 N4 O14 S2 -","2","1","","Ouyang, Jinbo; Na, Bing; Zhou, Limin; Xiao, Saijin; Xiong, Guoxuan; Jin, Tianxiang","Crystal structures and phase transformation of two novel solvates of valnemulin hydrochloride","CrystEngComm","2018","20","5","563","","10.1039/C7CE01524K","","","0.71073","MoKα","","0.0595","0.0436","","","0.0926","0.1005","","","","","","0.964","","","","has coordinates","228962","2020-10-21","18:00:00",""
"7229758","7.722","0.003","10.406","0.004","10.43","0.004","104.916","0.004","103.692","0.004","100.579","0.004","759.7","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H16 Cu N O8 -","- C14 H16 Cu N O8 -","- C28 H32 Cu2 N2 O16 -","2","1","","Zhang, Xiao-Feng; Yan, Tong; Wang, Tao; Feng, Jing; Wang, Quan; Wang, Xiao; Du, Lin; Zhao, Qi-Hua","Single-crystal-to-single-crystal (SCSC) transformation and dissolution‒recrystallization structural transformation (DRST) among three new copper(ii) coordination polymers","CrystEngComm","2018","20","5","570","","10.1039/C7CE01919J","","","0.71073","MoKα","","0.068","0.0499","","","0.1287","0.1385","","","","","","1.101","","","","has coordinates","228955","2020-10-21","18:00:00",""
"7229759","25.368","0.005","16.9","0.003","14.759","0.004","90","","96.855","0.003","90","","6282","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H45.01 Cu5 N4 O24 -","- C56 H45.014 Cu5 N4 O24 -","- C224 H180.056 Cu20 N16 O96 -","4","0.5","","Zhang, Xiao-Feng; Yan, Tong; Wang, Tao; Feng, Jing; Wang, Quan; Wang, Xiao; Du, Lin; Zhao, Qi-Hua","Single-crystal-to-single-crystal (SCSC) transformation and dissolution‒recrystallization structural transformation (DRST) among three new copper(ii) coordination polymers","CrystEngComm","2018","20","5","570","","10.1039/C7CE01919J","","","0.71073","MoKα","","0.195","0.0777","","","0.1918","0.2358","","","","","","0.943","","","","has coordinates,has disorder","228955","2020-10-21","18:00:00",""
"7229760","7.7303","0.0009","10.2721","0.0012","19.828","0.002","100.406","0.001","93.79","0.001","99.123","0.001","1521.7","0.3","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H30 Cu2 N2 O16 -","- C28 H32 Cu2 N2 O16 -","- C56 H64 Cu4 N4 O32 -","2","1","","Zhang, Xiao-Feng; Yan, Tong; Wang, Tao; Feng, Jing; Wang, Quan; Wang, Xiao; Du, Lin; Zhao, Qi-Hua","Single-crystal-to-single-crystal (SCSC) transformation and dissolution‒recrystallization structural transformation (DRST) among three new copper(ii) coordination polymers","CrystEngComm","2018","20","5","570","","10.1039/C7CE01919J","","","0.71073","MoKα","","0.0578","0.0399","","","0.1037","0.1113","","","","","","1.044","","","","has coordinates","228955","2020-10-21","18:00:00",""
"7229766","24.934","0.0004","28.5658","0.0004","3.7778","0.0001","90","","90","","90","","2690.77","0.09","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","quinoline-8-ol","8-hydroxyquinoline","","- C9 H7 N O -","- C9 H7 N O -","- C144 H112 N16 O16 -","16","1","","Fedyanin, Ivan V.; Karnoukhova, Valentina A.; Lyssenko, Konstantin A.","Conformational analysis of a supramolecular synthon: a case study of 8-hydroxyquinoline","CrystEngComm","2018","20","5","652","","10.1039/C7CE01928A","","","0.71073","MoKα","","0.0386","0.0316","","","0.0831","0.0894","","","","","","1.066","","","","has coordinates","228956","2020-10-21","18:00:00",""
"7229767","24.934","0.0004","28.5658","0.0004","3.7778","0.0001","90","","90","","90","","2690.77","0.09","100","","100","","","","","","","","","4","F d d 2","F 2 -2d","43","quinoline-8-ol","8-hydroxyquinoline","","- C9 H7 N O -","- C9 H7 N O -","- C144 H112 N16 O16 -","16","1","","Fedyanin, Ivan V.; Karnoukhova, Valentina A.; Lyssenko, Konstantin A.","Conformational analysis of a supramolecular synthon: a case study of 8-hydroxyquinoline","CrystEngComm","2018","20","5","652","","10.1039/C7CE01928A","","","0.71073","MoKα","","0.02","0.014","","","","0.012","","","","","","1.285","","","","has coordinates","228956","2020-10-21","18:00:00",""
"7229768","7.9966","0.0005","9.5422","0.0007","15.2152","0.0008","90","","97.623","0.006","90","","1150.74","0.13","296.15","","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 Br2 N2 Ni O4 -","- C20 H22 Br2 N2 Ni O4 -","- C40 H44 Br4 N4 Ni2 O8 -","2","0.5","","Borovina, Mladen; Kodrin, Ivan; Đaković, Marijana","Testing the limits of halogen bonding in coordination chemistry","CrystEngComm","2018","20","5","539","","10.1039/C7CE01989K","","","0.71073","MoKα","","0.0812","0.0463","","","0.1076","0.1204","","","","","","1.027","","","","has coordinates","228954","2020-10-21","18:00:00",""
"7229769","6.1501","0.0004","8.7162","0.0007","10.796","0.0008","100.733","0.006","97.813","0.006","101.437","0.007","548.26","0.07","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H20 Br2 Co N4 O4 -","- C18 H20 Br2 Co N4 O4 -","- C18 H20 Br2 Co N4 O4 -","1","0.5","","Borovina, Mladen; Kodrin, Ivan; Đaković, Marijana","Testing the limits of halogen bonding in coordination chemistry","CrystEngComm","2018","20","5","539","","10.1039/C7CE01989K","","x-ray","0.71073","MoKα","","0.0439","0.033","","","0.077","0.0818","","","","","","1.052","","","","has coordinates","228954","2020-10-21","18:00:00",""
"7229770","6.3212","0.0005","8.9502","0.0007","10.0197","0.0008","100.977","0.007","100.919","0.007","99.073","0.006","535.27","0.08","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H20 Cl2 N4 Ni O4 -","- C18 H20 Cl2 N4 Ni O4 -","- C18 H20 Cl2 N4 Ni O4 -","1","0.5","","Borovina, Mladen; Kodrin, Ivan; Đaković, Marijana","Testing the limits of halogen bonding in coordination chemistry","CrystEngComm","2018","20","5","539","","10.1039/C7CE01989K","","","0.71073","MoKα","","0.0498","0.0388","","","0.0813","0.0859","","","","","","1.061","","","","has coordinates","228954","2020-10-21","18:00:00",""
"7229771","6.329","0.0005","8.9473","0.0006","10.2742","0.0007","100.396","0.006","101.149","0.007","100.044","0.006","548.09","0.07","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H20 Br2 Co N4 O4 -","- C18 H20 Br2 Co N4 O4 -","- C18 H20 Br2 Co N4 O4 -","1","0.5","","Borovina, Mladen; Kodrin, Ivan; Đaković, Marijana","Testing the limits of halogen bonding in coordination chemistry","CrystEngComm","2018","20","5","539","","10.1039/C7CE01989K","","","0.71073","MoKα","","0.049","0.0354","","","0.0807","0.0864","","","","","","1.032","","","","has coordinates","228954","2020-10-21","18:00:00",""
"7229772","9.1894","0.0002","9.987","0.0003","13.4819","0.0005","73.422","0.003","71.424","0.003","85.191","0.002","1124.05","0.06","296","3","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H22 Cl2 N2 Ni O4 -","- C20 H22 Cl2 N2 Ni O4 -","- C40 H44 Cl4 N4 Ni2 O8 -","2","1","","Borovina, Mladen; Kodrin, Ivan; Đaković, Marijana","Testing the limits of halogen bonding in coordination chemistry","CrystEngComm","2018","20","5","539","","10.1039/C7CE01989K","","","0.71073","MoKα","","0.0438","0.0336","","","0.083","0.0882","","","","","","1.041","","","","has coordinates","228954","2020-10-21","18:00:00",""
"7229773","8.0225","0.0002","9.6265","0.0002","15.4896","0.0003","90","","96.406","0.002","90","","1188.77","0.05","296.15","","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 I2 N2 Ni O4 -","- C20 H22 I2 N2 Ni O4 -","- C40 H44 I4 N4 Ni2 O8 -","2","0.5","","Borovina, Mladen; Kodrin, Ivan; Đaković, Marijana","Testing the limits of halogen bonding in coordination chemistry","CrystEngComm","2018","20","5","539","","10.1039/C7CE01989K","","","0.71073","MoKα","","0.0407","0.0352","","","0.0881","0.0921","","","","","","1.067","","","","has coordinates","228954","2020-10-21","18:00:00",""
"7229774","6.349","0.0003","9.2589","0.0005","10.2457","0.0004","102.659","0.005","100.162","0.004","98.163","0.004","568.11","0.05","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H20 I2 N4 Ni O4 -","- C18 H20 I2 N4 Ni O4 -","- C18 H20 I2 N4 Ni O4 -","1","0.5","","Borovina, Mladen; Kodrin, Ivan; Đaković, Marijana","Testing the limits of halogen bonding in coordination chemistry","CrystEngComm","2018","20","5","539","","10.1039/C7CE01989K","","","0.71073","MoKα","","0.0349","0.0287","","","0.0623","0.0662","","","","","","1.065","","","","has coordinates","228954","2020-10-21","18:00:00",""
"7229775","7.9717","0.0005","9.7058","0.0004","15.4552","0.0005","90","","96.71","0.004","90","","1187.6","0.1","296.15","","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 Co I2 N2 O4 -","- C20 H22 Co I2 N2 O4 -","- C40 H44 Co2 I4 N4 O8 -","2","0.5","","Borovina, Mladen; Kodrin, Ivan; Đaković, Marijana","Testing the limits of halogen bonding in coordination chemistry","CrystEngComm","2018","20","5","539","","10.1039/C7CE01989K","","","0.71073","MoKα","","0.0576","0.0423","","","0.1073","0.1168","","","","","","1.066","","","","has coordinates","228954","2020-10-21","18:00:00",""
"7229776","6.3513","0.0009","9.256","0.0011","10.3631","0.0008","102.241","0.008","100.737","0.009","98.708","0.011","573.27","0.12","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H20 Co I2 N4 O4 -","- C18 H20 Co I2 N4 O4 -","- C18 H20 Co I2 N4 O4 -","1","0.5","","Borovina, Mladen; Kodrin, Ivan; Đaković, Marijana","Testing the limits of halogen bonding in coordination chemistry","CrystEngComm","2018","20","5","539","","10.1039/C7CE01989K","","","0.71073","MoKα","","0.0467","0.0329","","","0.0765","0.0848","","","","","","1.046","","","","has coordinates","228954","2020-10-21","18:00:00",""
"7229777","9.0807","0.0005","10.2369","0.0006","13.0194","0.0008","74.91","0.005","74.027","0.005","86.362","0.005","1123.37","0.12","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H22 Cl2 Co N2 O4 -","- C20 H22 Cl2 Co N2 O4 -","- C40 H44 Cl4 Co2 N4 O8 -","2","1","","Borovina, Mladen; Kodrin, Ivan; Đaković, Marijana","Testing the limits of halogen bonding in coordination chemistry","CrystEngComm","2018","20","5","539","","10.1039/C7CE01989K","","","0.71073","MoKα","","0.0459","0.0341","","","0.0829","0.089","","","","","","1.027","","","","has coordinates","228954","2020-10-21","18:00:00",""
"7229778","6.4978","0.0005","8.85","0.0007","10.396","0.0005","100.254","0.005","101.706","0.005","99.895","0.007","562.47","0.07","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H22 Br2 Co N2 O4 -","- C20 H22 Br2 Co N2 O4 -","- C20 H22 Br2 Co N2 O4 -","1","0.5","","Borovina, Mladen; Kodrin, Ivan; Đaković, Marijana","Testing the limits of halogen bonding in coordination chemistry","CrystEngComm","2018","20","5","539","","10.1039/C7CE01989K","","","0.71073","MoKα","","0.0468","0.0357","","","0.0794","0.0851","","","","","","1.079","","","","has coordinates","228954","2020-10-21","18:00:00",""
"7229779","6.3162","0.0004","8.8584","0.0008","10.1891","0.0005","99.706","0.006","101.645","0.005","100.278","0.007","536.88","0.07","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H20 Cl2 Co N4 O4 -","- C18 H20 Cl2 Co N4 O4 -","- C18 H20 Cl2 Co N4 O4 -","1","0.5","","Borovina, Mladen; Kodrin, Ivan; Đaković, Marijana","Testing the limits of halogen bonding in coordination chemistry","CrystEngComm","2018","20","5","539","","10.1039/C7CE01989K","","","0.71073","MoKα","","0.0428","0.0364","","","0.0926","0.0977","","","","","","1.075","","","","has coordinates","228954","2020-10-21","18:00:00",""
"7229780","6.3344","0.0004","9.028","0.0008","10.1145","0.0007","101.295","0.007","100.541","0.006","99.102","0.007","546.23","0.07","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H20 Br2 N4 Ni O4 -","- C18 H20 Br2 N4 Ni O4 -","- C18 H20 Br2 N4 Ni O4 -","1","0.5","","Borovina, Mladen; Kodrin, Ivan; Đaković, Marijana","Testing the limits of halogen bonding in coordination chemistry","CrystEngComm","2018","20","5","539","","10.1039/C7CE01989K","","","0.71073","MoKα","","0.0415","0.0312","","","0.0632","0.0675","","","","","","1.037","","","","has coordinates","228954","2020-10-21","18:00:00",""
"7229781","10.2118","0.0004","10.4135","0.0005","13.6583","0.0006","90","","90","","90","","1452.43","0.11","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H9 N Ni O6 -","- C4 H9 N Ni O6 -","- C32 H72 N8 Ni8 O48 -","8","1","","Seth, Saikat Kumar; Bauzá, Antonio; Frontera, Antonio","Screening polymorphism in a Ni(ii) metal‒organic framework: experimental observations, Hirshfeld surface analyses and DFT studies","CrystEngComm","2018","20","6","746","","10.1039/C7CE01991B","","","0.71073","MoKα","","0.018","0.0161","","","0.0362","0.037","","","","","","1.067","","","","has coordinates","229008","2020-10-21","18:00:00",""
"7229782","10.2096","0.0007","10.4063","0.0007","13.6629","0.001","90","","90","","90","","1451.6","0.18","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H9 N Ni O6 -","- C4 H9 N Ni O6 -","- C32 H72 N8 Ni8 O48 -","8","1","","Seth, Saikat Kumar; Bauzá, Antonio; Frontera, Antonio","Screening polymorphism in a Ni(ii) metal‒organic framework: experimental observations, Hirshfeld surface analyses and DFT studies","CrystEngComm","2018","20","6","746","","10.1039/C7CE01991B","","","0.71073","MoKα","","0.026","0.0203","","","0.037","0.0395","","","","","","1.129","","","","has coordinates","229008","2020-10-21","18:00:00",""
"7229783","34.885","0.007","6.497","0.0013","18.207","0.004","90","","94.73","0.03","90","","4112.5","1.5","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H21 N3 O3 -","- C25 H21 N3 O3 -","- C200 H168 N24 O24 -","8","1","","Hariharan, Palamarneri Sivaraman; Gayathri, Parthasarathy; Kundu, Anu; Karthikeyan, Subramanian; Moon, Dohyun; Anthony, Savarimuthu Philip","Synthesis of tunable, red fluorescent aggregation-enhanced emissive organic fluorophores: stimuli-responsive high contrast off‒on fluorescence switching","CrystEngComm","2018","20","5","643","","10.1039/C7CE01867C","","","0.7","synchrotron","","0.069","0.0467","","","0.1189","0.1285","","","","","","1.001","","","","has coordinates","228958","2020-10-21","18:00:00",""
"7229784","17.341","0.002","9.321","0.002","14.471","0.002","90","","111.962","0.004","90","","2169.3","0.6","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H21 N O3 -","- C29 H21 N O3 -","- C116 H84 N4 O12 -","4","1","","Hariharan, Palamarneri Sivaraman; Gayathri, Parthasarathy; Kundu, Anu; Karthikeyan, Subramanian; Moon, Dohyun; Anthony, Savarimuthu Philip","Synthesis of tunable, red fluorescent aggregation-enhanced emissive organic fluorophores: stimuli-responsive high contrast off‒on fluorescence switching","CrystEngComm","2018","20","5","643","","10.1039/C7CE01867C","","","0.7","synchrotron","","0.0726","0.0427","","","0.1072","0.1184","","","","","","0.986","","","","has coordinates","228958","2020-10-21","18:00:00",""
"7229785","9.728","0.0019","9.748","0.0019","12.153","0.002","103.57","0.03","98.82","0.03","99.79","0.03","1081.3","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H23 N3 O4 -","- C26 H23 N3 O4 -","- C52 H46 N6 O8 -","2","1","","Hariharan, Palamarneri Sivaraman; Gayathri, Parthasarathy; Kundu, Anu; Karthikeyan, Subramanian; Moon, Dohyun; Anthony, Savarimuthu Philip","Synthesis of tunable, red fluorescent aggregation-enhanced emissive organic fluorophores: stimuli-responsive high contrast off‒on fluorescence switching","CrystEngComm","2018","20","5","643","","10.1039/C7CE01867C","","","0.63","synchrotron","","0.0581","0.0469","","","0.1364","0.1443","","","","","","1.112","","","","has coordinates","228958","2020-10-21","18:00:00",""
"7229786","6.868","0.002","8.175","0.002","18.128","0.004","81.203","0.01","86.414","0.007","86.137","0.01","1002.1","0.4","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H19 N O2 -","- C28 H19 N O2 -","- C56 H38 N2 O4 -","2","1","","Hariharan, Palamarneri Sivaraman; Gayathri, Parthasarathy; Kundu, Anu; Karthikeyan, Subramanian; Moon, Dohyun; Anthony, Savarimuthu Philip","Synthesis of tunable, red fluorescent aggregation-enhanced emissive organic fluorophores: stimuli-responsive high contrast off‒on fluorescence switching","CrystEngComm","2018","20","5","643","","10.1039/C7CE01867C","","","0.7","synchrotron","","0.0816","0.0549","","","0.1431","0.1602","","","","","","1.002","","","","has coordinates","228958","2020-10-21","18:00:00",""
"7229787","38.228","0.008","7.21","0.0014","16.916","0.003","90","","110.72","0.03","90","","4360.9","1.7","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H23 N3 O4 -","- C26 H23 N3 O4 -","- C208 H184 N24 O32 -","8","1","","Hariharan, Palamarneri Sivaraman; Gayathri, Parthasarathy; Kundu, Anu; Karthikeyan, Subramanian; Moon, Dohyun; Anthony, Savarimuthu Philip","Synthesis of tunable, red fluorescent aggregation-enhanced emissive organic fluorophores: stimuli-responsive high contrast off‒on fluorescence switching","CrystEngComm","2018","20","5","643","","10.1039/C7CE01867C","","","0.63","synchrotron","","0.0967","0.0501","","","0.1163","0.1297","","","","","","0.9","","","","has coordinates","228958","2020-10-21","18:00:00",""
"7229788","10.0684","0.0006","3.758","0.0002","20.6855","0.0012","90","","91.012","0.005","90","","782.56","0.08","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H12 F4 N2 -","- C20 H12 F4 N2 -","- C40 H24 F8 N4 -","2","0.5","","Dhingra, Shallu; Barman, Dibya Jyoti; Yadav, Hare Ram; Eyyathiyil, Jusaina; Bhowmik, Prasanta; Kaur, Parmeet; Adhikari, Debashis; Roy Choudhury, Angshuman","Structural and computational understanding of weak interactions in “bridge-flipped” isomeric tetrafluoro-bis-benzylideneanilines","CrystEngComm","2018","20","6","716","","10.1039/C7CE01872J","","x-ray","0.71073","MoKα","","0.0781","0.0666","","","0.1784","0.2","","","","","","1.148","","","","has coordinates","229010","2020-10-21","18:00:00",""
"7229789","9.445","0.003","3.9293","0.0014","20.333","0.008","90","","93.987","0.016","90","","752.8","0.5","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 F2 N2 -","- C20 H14 F2 N2 -","- C40 H28 F4 N4 -","2","0.5","","Dhingra, Shallu; Barman, Dibya Jyoti; Yadav, Hare Ram; Eyyathiyil, Jusaina; Bhowmik, Prasanta; Kaur, Parmeet; Adhikari, Debashis; Roy Choudhury, Angshuman","Structural and computational understanding of weak interactions in “bridge-flipped” isomeric tetrafluoro-bis-benzylideneanilines","CrystEngComm","2018","20","6","716","","10.1039/C7CE01872J","","","0.71075","MoKα","","0.1231","0.086","","","0.2242","0.2483","","","","","","1.066","","","","has coordinates","229010","2020-10-21","18:00:00",""
"7229790","5.775","0.004","20.795","0.007","6.653","0.003","90","","107.46","0.02","90","","762.2","0.7","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 F2 N2 -","- C20 H14 F2 N2 -","- C40 H28 F4 N4 -","2","0.5","","Dhingra, Shallu; Barman, Dibya Jyoti; Yadav, Hare Ram; Eyyathiyil, Jusaina; Bhowmik, Prasanta; Kaur, Parmeet; Adhikari, Debashis; Roy Choudhury, Angshuman","Structural and computational understanding of weak interactions in “bridge-flipped” isomeric tetrafluoro-bis-benzylideneanilines","CrystEngComm","2018","20","6","716","","10.1039/C7CE01872J","","","0.71075","MoKα","","0.0879","0.0441","","","0.0907","0.116","","","","","","0.902","","","","has coordinates","229010","2020-10-21","18:00:00",""
"7229791","6.9111","0.0005","11.5037","0.0009","10.0653","0.0007","90","","104.659","0.008","90","","774.18","0.1","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 F2 N2 -","- C20 H14 F2 N2 -","- C40 H28 F4 N4 -","2","0.5","","Dhingra, Shallu; Barman, Dibya Jyoti; Yadav, Hare Ram; Eyyathiyil, Jusaina; Bhowmik, Prasanta; Kaur, Parmeet; Adhikari, Debashis; Roy Choudhury, Angshuman","Structural and computational understanding of weak interactions in “bridge-flipped” isomeric tetrafluoro-bis-benzylideneanilines","CrystEngComm","2018","20","6","716","","10.1039/C7CE01872J","","x-ray","0.71073","MoKα","","0.1126","0.0857","","","0.2189","0.2711","","","","","","1.02","","","","has coordinates","229010","2020-10-21","18:00:00",""
"7229792","17.286","0.0018","6.1726","0.0008","7.0329","0.0008","90","","92.883","0.01","90","","749.46","0.15","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 F2 N2 -","- C20 H14 F2 N2 -","- C40 H28 F4 N4 -","2","0.5","","Dhingra, Shallu; Barman, Dibya Jyoti; Yadav, Hare Ram; Eyyathiyil, Jusaina; Bhowmik, Prasanta; Kaur, Parmeet; Adhikari, Debashis; Roy Choudhury, Angshuman","Structural and computational understanding of weak interactions in “bridge-flipped” isomeric tetrafluoro-bis-benzylideneanilines","CrystEngComm","2018","20","6","716","","10.1039/C7CE01872J","","x-ray","0.71073","MoKα","","0.1004","0.0852","","","0.2345","0.2755","","","","","","1.116","","","","has coordinates","229010","2020-10-21","18:00:00",""
"7229793","16.87","0.004","3.7774","0.0007","12.01","0.003","90","","95.317","0.011","90","","762","0.3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 F4 N2 -","- C20 H12 F4 N2 -","- C40 H24 F8 N4 -","2","0.5","","Dhingra, Shallu; Barman, Dibya Jyoti; Yadav, Hare Ram; Eyyathiyil, Jusaina; Bhowmik, Prasanta; Kaur, Parmeet; Adhikari, Debashis; Roy Choudhury, Angshuman","Structural and computational understanding of weak interactions in “bridge-flipped” isomeric tetrafluoro-bis-benzylideneanilines","CrystEngComm","2018","20","6","716","","10.1039/C7CE01872J","","","0.71075","MoKα","","0.073","0.0505","","","0.1457","0.2039","","","","","","1.093","","","","has coordinates","229010","2020-10-21","18:00:00",""
"7229794","4.5664","0.0015","11.438","0.003","14.923","0.005","90","","96.382","0.013","90","","774.6","0.4","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 F4 N2 -","- C20 H12 F4 N2 -","- C40 H24 F8 N4 -","2","0.5","","Dhingra, Shallu; Barman, Dibya Jyoti; Yadav, Hare Ram; Eyyathiyil, Jusaina; Bhowmik, Prasanta; Kaur, Parmeet; Adhikari, Debashis; Roy Choudhury, Angshuman","Structural and computational understanding of weak interactions in “bridge-flipped” isomeric tetrafluoro-bis-benzylideneanilines","CrystEngComm","2018","20","6","716","","10.1039/C7CE01872J","","","0.71075","MoKα","","0.0539","0.0437","","","0.1183","0.1269","","","","","","1.045","","","","has coordinates","229010","2020-10-21","18:00:00",""
"7229795","4.621","0.0004","14.858","0.0014","11.0496","0.0009","90","","94.614","0.008","90","","756.19","0.12","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H12 F4 N2 -","- C20 H12 F4 N2 -","- C40 H24 F8 N4 -","2","0.5","","Dhingra, Shallu; Barman, Dibya Jyoti; Yadav, Hare Ram; Eyyathiyil, Jusaina; Bhowmik, Prasanta; Kaur, Parmeet; Adhikari, Debashis; Roy Choudhury, Angshuman","Structural and computational understanding of weak interactions in “bridge-flipped” isomeric tetrafluoro-bis-benzylideneanilines","CrystEngComm","2018","20","6","716","","10.1039/C7CE01872J","","x-ray","0.71073","MoKα","","0.1031","0.0727","","","0.1846","0.2237","","","","","","1.063","","","","has coordinates","229010","2020-10-21","18:00:00",""
"7229796","15.229","0.016","3.914","0.003","13.287","0.011","90","","102.54","0.04","90","","773.1","1.2","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 F4 N2 -","- C20 H12 F4 N2 -","- C40 H24 F8 N4 -","2","0.5","","Dhingra, Shallu; Barman, Dibya Jyoti; Yadav, Hare Ram; Eyyathiyil, Jusaina; Bhowmik, Prasanta; Kaur, Parmeet; Adhikari, Debashis; Roy Choudhury, Angshuman","Structural and computational understanding of weak interactions in “bridge-flipped” isomeric tetrafluoro-bis-benzylideneanilines","CrystEngComm","2018","20","6","716","","10.1039/C7CE01872J","","","0.71075","MoKα","","0.127","0.0911","","","0.2369","0.2914","","","","","","1.069","","","","has coordinates","229010","2020-10-21","18:00:00",""
"7229797","35.4","0.02","3.766","0.002","11.682","0.008","90","","99.19","0.03","90","","1537.4","1.6","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 F4 N2 -","- C20 H12 F4 N2 -","- C80 H48 F16 N8 -","4","1","","Dhingra, Shallu; Barman, Dibya Jyoti; Yadav, Hare Ram; Eyyathiyil, Jusaina; Bhowmik, Prasanta; Kaur, Parmeet; Adhikari, Debashis; Roy Choudhury, Angshuman","Structural and computational understanding of weak interactions in “bridge-flipped” isomeric tetrafluoro-bis-benzylideneanilines","CrystEngComm","2018","20","6","716","","10.1039/C7CE01872J","","","0.71075","MoKα","","0.1659","0.1308","","","0.3671","0.4232","","","","","","1.362","","","","has coordinates","229010","2020-10-21","18:00:00",""
"7229798","7.4234","0.0007","5.6728","0.0005","36.086","0.003","90","","95.003","0.008","90","","1513.8","0.2","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 F2 N2 -","- C20 H14 F2 N2 -","- C80 H56 F8 N8 -","4","1","","Dhingra, Shallu; Barman, Dibya Jyoti; Yadav, Hare Ram; Eyyathiyil, Jusaina; Bhowmik, Prasanta; Kaur, Parmeet; Adhikari, Debashis; Roy Choudhury, Angshuman","Structural and computational understanding of weak interactions in “bridge-flipped” isomeric tetrafluoro-bis-benzylideneanilines","CrystEngComm","2018","20","6","716","","10.1039/C7CE01872J","","x-ray","0.71073","MoKα","","0.1574","0.0891","","","0.2245","0.2981","","","","","","1.049","","","","has coordinates,has disorder","229010","2020-10-21","18:00:00",""
"7229799","10.7743","0.0003","13.7731","0.0004","21.4829","0.0006","94.837","0.002","90.373","0.002","95.881","0.002","3159.52","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H49 Dy2 F12 N2 O12 -","- C64 H49 Dy2 F12 N2 O12 -","- C128 H98 Dy4 F24 N4 O24 -","2","1","","Zhang, Wan-Ying; Chen, Peng; Tian, Yong-Mei; Li, Hong-Feng; Sun, Wen-Bin; Yan, Peng-Fei","A series of salen-type asymmetric dinuclear Dy(iii) complexes: site-resolved two-step magnetic relaxation process","CrystEngComm","2018","20","6","777","","10.1039/C7CE01797A","","","0.71","MoKα","","0.105","0.0679","","","0.1304","0.1459","","","","","","1.127","","","","has coordinates","229009","2020-10-21","18:00:00",""
"7229800","12.3258","0.0002","12.2533","0.0002","23.9816","0.0005","90","","97.764","0.002","90","","3588.78","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C80 H58 Dy2 N2 O11 -","- C80 H58 Dy2 N2 O11 -","- C160 H116 Dy4 N4 O22 -","2","0.5","","Zhang, Wan-Ying; Chen, Peng; Tian, Yong-Mei; Li, Hong-Feng; Sun, Wen-Bin; Yan, Peng-Fei","A series of salen-type asymmetric dinuclear Dy(iii) complexes: site-resolved two-step magnetic relaxation process","CrystEngComm","2018","20","6","777","","10.1039/C7CE01797A","","","0.71073","MoKα","","0.0722","0.0549","","","0.1337","0.1427","","","","","","1.216","","","","has coordinates,has disorder","229009","2020-10-21","18:00:00",""
"7229801","10.9106","0.0003","15.6456","0.0004","21.7835","0.0006","99.568","0.002","101.358","0.002","103.932","0.002","3448.11","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H92 Dy2 N2 O11 -","- C64 H92 Dy2 N2 O11 -","- C128 H184 Dy4 N4 O22 -","2","1","","Zhang, Wan-Ying; Chen, Peng; Tian, Yong-Mei; Li, Hong-Feng; Sun, Wen-Bin; Yan, Peng-Fei","A series of salen-type asymmetric dinuclear Dy(iii) complexes: site-resolved two-step magnetic relaxation process","CrystEngComm","2018","20","6","777","","10.1039/C7CE01797A","","","0.71073","MoKα","","0.0641","0.0421","","","0.0982","0.1117","","","","","","1.068","","","","has coordinates","229009","2020-10-21","18:00:00",""
"7229802","14.5365","0.0011","15.8905","0.0011","17.8411","0.001","89.709","0.005","66.703","0.006","63.25","0.007","3304.1","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H56 Cl4 Dy2 N4 O9 -","- C72 H56 Cl4 Dy2 N4 O9 -","- C144 H112 Cl8 Dy4 N8 O18 -","2","1","","Zhang, Wan-Ying; Chen, Peng; Tian, Yong-Mei; Li, Hong-Feng; Sun, Wen-Bin; Yan, Peng-Fei","A series of salen-type asymmetric dinuclear Dy(iii) complexes: site-resolved two-step magnetic relaxation process","CrystEngComm","2018","20","6","777","","10.1039/C7CE01797A","","","0.71073","MoKα","","0.0935","0.055","","","0.1231","0.1526","","","","","","1.077","","","","has coordinates","229009","2020-10-21","18:00:00",""
"7229803","14.686","0.003","16.758","0.003","10.336","0.002","90","","104.78","0.03","90","","2459.6","0.9","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 N2 O10 Pr -","- C26 H19 N2 O10 Pr -","- C104 H76 N8 O40 Pr4 -","4","1","","You, Li-Xin; Zhao, Bai-Bei; Liu, Hui-Jie; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Ding, Fu; Joos, Jonas J.; Smet, Philippe F.; Sun, Ya-Guang","2D and 3D lanthanide metal‒organic frameworks constructed from three benzenedicarboxylate ligands: synthesis, structure and luminescent properties","CrystEngComm","2018","20","5","615","","10.1039/C7CE01773A","","","0.71073","MoKα","","0.0479","0.0416","","","0.1058","0.1107","","","","","","1.065","","","","has coordinates","228961","2020-10-21","18:00:00",""
"7229804","14.684","0.003","16.513","0.003","10.239","0.002","90","","104.63","0.03","90","","2402.2","0.9","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 Gd N2 O10 -","- C26 H19 Gd N2 O10 -","- C104 H76 Gd4 N8 O40 -","4","1","","You, Li-Xin; Zhao, Bai-Bei; Liu, Hui-Jie; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Ding, Fu; Joos, Jonas J.; Smet, Philippe F.; Sun, Ya-Guang","2D and 3D lanthanide metal‒organic frameworks constructed from three benzenedicarboxylate ligands: synthesis, structure and luminescent properties","CrystEngComm","2018","20","5","615","","10.1039/C7CE01773A","","","0.71073","MoKα","","0.0638","0.0512","","","0.1148","0.1226","","","","","","1.099","","","","has coordinates","228961","2020-10-21","18:00:00",""
"7229805","14.726","0.003","16.484","0.003","10.208","0.002","90","","104.47","0.03","90","","2399.3","0.9","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 N2 O10 Tb -","- C26 H19 N2 O10 Tb -","- C104 H76 N8 O40 Tb4 -","4","1","","You, Li-Xin; Zhao, Bai-Bei; Liu, Hui-Jie; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Ding, Fu; Joos, Jonas J.; Smet, Philippe F.; Sun, Ya-Guang","2D and 3D lanthanide metal‒organic frameworks constructed from three benzenedicarboxylate ligands: synthesis, structure and luminescent properties","CrystEngComm","2018","20","5","615","","10.1039/C7CE01773A","","","0.71073","MoKα","","0.0573","0.0456","","","0.1081","0.1152","","","","","","1.127","","","","has coordinates","228961","2020-10-21","18:00:00",""
"7229806","10.86","0.002","14.23","0.003","20.18","0.004","86.18","0.03","83.88","0.03","78.24","0.03","3032.5","1.1","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C54 H48 N2 O31 Sm4 -","- C54 H48 N2 O31 Sm4 -","- C108 H96 N4 O62 Sm8 -","2","1","","You, Li-Xin; Zhao, Bai-Bei; Liu, Hui-Jie; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Ding, Fu; Joos, Jonas J.; Smet, Philippe F.; Sun, Ya-Guang","2D and 3D lanthanide metal‒organic frameworks constructed from three benzenedicarboxylate ligands: synthesis, structure and luminescent properties","CrystEngComm","2018","20","5","615","","10.1039/C7CE01773A","","","0.71073","MoKα","","0.0631","0.0466","","","0.1051","0.1173","","","","","","1.069","","","","has coordinates","228961","2020-10-21","18:00:00",""
"7229807","6.87","0.0014","13.86","0.003","17.71","0.003","88.64","0.03","79.67","0.03","84.36","0.03","1650.9","0.6","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H28 N2 O17 Sm2 -","- C34 H28 N2 O17 Sm2 -","- C68 H56 N4 O34 Sm4 -","2","1","","You, Li-Xin; Zhao, Bai-Bei; Liu, Hui-Jie; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Ding, Fu; Joos, Jonas J.; Smet, Philippe F.; Sun, Ya-Guang","2D and 3D lanthanide metal‒organic frameworks constructed from three benzenedicarboxylate ligands: synthesis, structure and luminescent properties","CrystEngComm","2018","20","5","615","","10.1039/C7CE01773A","","","0.71073","MoKα","","0.088","0.0804","","","0.1872","0.1901","","","","","","1.302","","","","has coordinates,has disorder","228961","2020-10-21","18:00:00",""
"7229808","14.672","0.003","16.543","0.003","10.243","0.002","90","","104.53","0.03","90","","2406.7","0.9","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 Eu N2 O10 -","- C26 H19 Eu N2 O10 -","- C104 H76 Eu4 N8 O40 -","4","1","","You, Li-Xin; Zhao, Bai-Bei; Liu, Hui-Jie; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Ding, Fu; Joos, Jonas J.; Smet, Philippe F.; Sun, Ya-Guang","2D and 3D lanthanide metal‒organic frameworks constructed from three benzenedicarboxylate ligands: synthesis, structure and luminescent properties","CrystEngComm","2018","20","5","615","","10.1039/C7CE01773A","","","0.71073","MoKα","","0.0463","0.0429","","","0.1046","0.1073","","","","","","1.042","","","","has coordinates","228961","2020-10-21","18:00:00",""
"7229809","10.85","0.002","14.04","0.003","19.95","0.004","86.5","0.03","83.4","0.03","78.89","0.03","2960","1.1","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C54 H49 Eu4 N2 O31.5 -","- C54 H49 Eu4 N2 O31.5 -","- C108 H98 Eu8 N4 O63 -","2","1","","You, Li-Xin; Zhao, Bai-Bei; Liu, Hui-Jie; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Ding, Fu; Joos, Jonas J.; Smet, Philippe F.; Sun, Ya-Guang","2D and 3D lanthanide metal‒organic frameworks constructed from three benzenedicarboxylate ligands: synthesis, structure and luminescent properties","CrystEngComm","2018","20","5","615","","10.1039/C7CE01773A","","","0.71073","MoKα","","0.0536","0.0499","","","0.1212","0.1248","","","","","","1.039","","","","has coordinates","228961","2020-10-21","18:00:00",""
"7229810","14.708","0.003","16.437","0.003","10.219","0.002","90","","104.47","0.03","90","","2392.1","0.9","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 Dy N2 O10 -","- C26 H19 Dy N2 O10 -","- C104 H76 Dy4 N8 O40 -","4","1","","You, Li-Xin; Zhao, Bai-Bei; Liu, Hui-Jie; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Ding, Fu; Joos, Jonas J.; Smet, Philippe F.; Sun, Ya-Guang","2D and 3D lanthanide metal‒organic frameworks constructed from three benzenedicarboxylate ligands: synthesis, structure and luminescent properties","CrystEngComm","2018","20","5","615","","10.1039/C7CE01773A","","","0.71073","MoKα","","0.0569","0.0435","","","0.0954","0.1018","","","","","","1.115","","","","has coordinates","228961","2020-10-21","18:00:00",""
"7229811","6.965","0.0014","26.433","0.005","17.879","0.004","90","","97.9","0.03","90","","3260.4","1.2","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 N2 O17 Tb2 -","- C34 H28 N2 O17 Tb2 -","- C136 H112 N8 O68 Tb8 -","4","1","","You, Li-Xin; Zhao, Bai-Bei; Liu, Hui-Jie; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Ding, Fu; Joos, Jonas J.; Smet, Philippe F.; Sun, Ya-Guang","2D and 3D lanthanide metal‒organic frameworks constructed from three benzenedicarboxylate ligands: synthesis, structure and luminescent properties","CrystEngComm","2018","20","5","615","","10.1039/C7CE01773A","","","0.71073","MoKα","","0.0434","0.0352","","","0.08","0.0849","","","","","","1.064","","","","has coordinates","228961","2020-10-21","18:00:00",""
"7229812","10.84","0.002","14.12","0.003","20.07","0.004","86.59","0.03","83.7","0.03","78.88","0.03","2993.7","1.1","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C54 H49 Ho4 N2 O31.5 -","- C54 H49 Ho4 N2 O31.5 -","- C108 H98 Ho8 N4 O63 -","2","1","","You, Li-Xin; Zhao, Bai-Bei; Liu, Hui-Jie; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Ding, Fu; Joos, Jonas J.; Smet, Philippe F.; Sun, Ya-Guang","2D and 3D lanthanide metal‒organic frameworks constructed from three benzenedicarboxylate ligands: synthesis, structure and luminescent properties","CrystEngComm","2018","20","5","615","","10.1039/C7CE01773A","","","0.71073","MoKα","","0.0439","0.0398","","","0.0994","0.1024","","","","","","1.027","","","","has coordinates","228961","2020-10-21","18:00:00",""
"7229813","10.85","0.002","14.18","0.003","20.18","0.004","86.61","0.03","83.77","0.03","78.89","0.03","3026.2","1.1","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C54 H49 Gd4 N2 O31.5 -","- C54 H49 Gd4 N2 O31.5 -","- C108 H98 Gd8 N4 O63 -","2","1","","You, Li-Xin; Zhao, Bai-Bei; Liu, Hui-Jie; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Ding, Fu; Joos, Jonas J.; Smet, Philippe F.; Sun, Ya-Guang","2D and 3D lanthanide metal‒organic frameworks constructed from three benzenedicarboxylate ligands: synthesis, structure and luminescent properties","CrystEngComm","2018","20","5","615","","10.1039/C7CE01773A","","","0.71073","MoKα","","0.0483","0.0424","","","0.1064","0.1112","","","","","","1.055","","","","has coordinates","228961","2020-10-21","18:00:00",""
"7229814","6.981","0.0014","26.527","0.005","17.919","0.004","90","","97.89","0.03","90","","3286.9","1.2","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 Eu2 N2 O17 -","- C34 H28 Eu2 N2 O17 -","- C136 H112 Eu8 N8 O68 -","4","1","","You, Li-Xin; Zhao, Bai-Bei; Liu, Hui-Jie; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Ding, Fu; Joos, Jonas J.; Smet, Philippe F.; Sun, Ya-Guang","2D and 3D lanthanide metal‒organic frameworks constructed from three benzenedicarboxylate ligands: synthesis, structure and luminescent properties","CrystEngComm","2018","20","5","615","","10.1039/C7CE01773A","","","0.71073","MoKα","","0.0356","0.0309","","","0.071","0.0737","","","","","","1.09","","","","has coordinates","228961","2020-10-21","18:00:00",""
"7229815","6.98","0.0014","13.54","0.003","17.99","0.004","91.02","0.03","98.04","0.03","102.72","0.03","1640.1","0.7","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H27 Gd2 N2 O17 -","- C34 H28 Gd2 N2 O17 -","- C68 H56 Gd4 N4 O34 -","2","1","","You, Li-Xin; Zhao, Bai-Bei; Liu, Hui-Jie; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Ding, Fu; Joos, Jonas J.; Smet, Philippe F.; Sun, Ya-Guang","2D and 3D lanthanide metal‒organic frameworks constructed from three benzenedicarboxylate ligands: synthesis, structure and luminescent properties","CrystEngComm","2018","20","5","615","","10.1039/C7CE01773A","","","0.71073","MoKα","","0.0581","0.0432","","","0.0961","0.1056","","","","","","1.053","","","","has coordinates","228961","2020-10-21","18:00:00",""
"7229816","10.86","0.002","14.21","0.003","20.13","0.004","86.63","0.03","83.76","0.03","78.72","0.03","3026.2","1.1","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C54 H49 N2 O31.5 Tb4 -","- C54 H47 N2 O31.5 Tb4 -","- C108 H94 N4 O63 Tb8 -","2","1","","You, Li-Xin; Zhao, Bai-Bei; Liu, Hui-Jie; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Ding, Fu; Joos, Jonas J.; Smet, Philippe F.; Sun, Ya-Guang","2D and 3D lanthanide metal‒organic frameworks constructed from three benzenedicarboxylate ligands: synthesis, structure and luminescent properties","CrystEngComm","2018","20","5","615","","10.1039/C7CE01773A","","","0.71073","MoKα","","0.0444","0.0404","","","0.0894","0.0922","","","","","","0.936","","","","has coordinates","228961","2020-10-21","18:00:00",""
"7229817","10.83","0.002","14.13","0.003","20.07","0.004","86.1","0.03","83.59","0.03","78.31","0.03","2985.5","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H48 Dy4 N2 O31 -","- C54 H48 Dy4 N2 O31 -","- C108 H96 Dy8 N4 O62 -","2","1","","You, Li-Xin; Zhao, Bai-Bei; Liu, Hui-Jie; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Ding, Fu; Joos, Jonas J.; Smet, Philippe F.; Sun, Ya-Guang","2D and 3D lanthanide metal‒organic frameworks constructed from three benzenedicarboxylate ligands: synthesis, structure and luminescent properties","CrystEngComm","2018","20","5","615","","10.1039/C7CE01773A","","","0.71073","MoKα","","0.0469","0.0424","","","0.1061","0.1092","","","","","","1.008","","","","has coordinates","228961","2020-10-21","18:00:00",""
"7229818","7.017","0.0014","26.637","0.005","18.062","0.004","90","","98.27","0.03","90","","3340.9","1.2","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 N2 O17 Sm2 -","- C34 H28 N2 O17 Sm2 -","- C136 H112 N8 O68 Sm8 -","4","1","","You, Li-Xin; Zhao, Bai-Bei; Liu, Hui-Jie; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Ding, Fu; Joos, Jonas J.; Smet, Philippe F.; Sun, Ya-Guang","2D and 3D lanthanide metal‒organic frameworks constructed from three benzenedicarboxylate ligands: synthesis, structure and luminescent properties","CrystEngComm","2018","20","5","615","","10.1039/C7CE01773A","","","0.71073","MoKα","","0.0753","0.0679","","","0.1513","0.154","","","","","","1.226","","","","has coordinates","228961","2020-10-21","18:00:00",""
"7229819","6.961","0.0014","26.303","0.005","17.797","0.004","90","","97.86","0.03","90","","3227.9","1.2","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 Dy2 N2 O17 -","- C34 H28 Dy2 N2 O17 -","- C136 H112 Dy8 N8 O68 -","4","1","","You, Li-Xin; Zhao, Bai-Bei; Liu, Hui-Jie; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Ding, Fu; Joos, Jonas J.; Smet, Philippe F.; Sun, Ya-Guang","2D and 3D lanthanide metal‒organic frameworks constructed from three benzenedicarboxylate ligands: synthesis, structure and luminescent properties","CrystEngComm","2018","20","5","615","","10.1039/C7CE01773A","","","0.71073","MoKα","","0.0721","0.0544","","","0.1266","0.1425","","","","","","1.06","","","","has coordinates","228961","2020-10-21","18:00:00",""
"7229820","11.2207","0.0003","6.68473","0.00016","11.9906","0.0003","90","","98.8862","0.0008","90","","888.59","0.04","293","","293","2","","","","","","","Mechanochemical synthesis","4","P 1 21/c 1","-P 2ybc","14","Ca-Phthalate monohydrate","Ca-Phthalate monohydrate","Ca-Phthalate monohydrate","- C8 H6 Ca O5 -","- C8 H6 Ca O5 -","- C32 H24 Ca4 O20 -","4","1","","Al-Terkawi, Abdal-Azim; Scholz, Gudrun; Prinz, Carsten; Zimathies, Annett; Emmerling, Franziska; Kemnitz, Erhard","Hydrated and dehydrated Ca-coordination polymers based on benzene-dicarboxylates: mechanochemical synthesis, structure refinement, and spectroscopic characterization","CrystEngComm","2018","20","7","946","","10.1039/C7CE01906H","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","1.144","2.19","","","","","","","has coordinates","229070","2020-10-21","18:00:00",""
"7229821","7.1114","0.0002","21.6561","0.0009","6.5925","0.0003","90","","92.208","0.005","90","","1014.53","0.07","293","","293","2","","","","","","","Mechanochemical synthesis","4","P 1 21/c 1","-P 2ybc","14","Ca-Terephthalate trihydrate","Ca-Terephthalate trihydrate","Ca-Terephthalate trihydrate","- C8 H10 Ca O7 -","- C8 H10 Ca O7 -","- C32 H40 Ca4 O28 -","4","1","","Al-Terkawi, Abdal-Azim; Scholz, Gudrun; Prinz, Carsten; Zimathies, Annett; Emmerling, Franziska; Kemnitz, Erhard","Hydrated and dehydrated Ca-coordination polymers based on benzene-dicarboxylates: mechanochemical synthesis, structure refinement, and spectroscopic characterization","CrystEngComm","2018","20","7","946","","10.1039/C7CE01906H","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","1.747","3","","","","","","","has coordinates","229070","2020-10-21","18:00:00",""
"7229822","13.9823","0.0007","6.6512","0.0002","9.5748","0.0003","90","","112.361","0.003","90","","823.49","0.06","293","","293","2","","","","","","","Mechanochemical synthesis","4","P 1 21/c 1","-P 2ybc","14","Ca-Phthalate","Ca-Phthalate","Ca-Phthalate","- C8 H4 Ca O4 -","- C8 H4 Ca O4 -","- C32 H16 Ca4 O16 -","4","1","","Al-Terkawi, Abdal-Azim; Scholz, Gudrun; Prinz, Carsten; Zimathies, Annett; Emmerling, Franziska; Kemnitz, Erhard","Hydrated and dehydrated Ca-coordination polymers based on benzene-dicarboxylates: mechanochemical synthesis, structure refinement, and spectroscopic characterization","CrystEngComm","2018","20","7","946","","10.1039/C7CE01906H","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","1.344","4.72","","","","","","","has coordinates","229070","2020-10-21","18:00:00",""
"7229823","15.5899","0.0007","21.4477","0.0012","17.1872","0.0008","90","","111.848","0.003","90","","5334.1","0.5","293","","293","2","","","","","","","Mechanochemical synthesis","4","C 1 2/c 1","-C 2yc","15","Ca-Isophthalate","","Ca-Isophthalate","- C8 H4 Ca O7.4 -","- C8 H4 Ca O7.4 -","- C160 H80 Ca20 O148 -","20","2.5","","Al-Terkawi, Abdal-Azim; Scholz, Gudrun; Prinz, Carsten; Zimathies, Annett; Emmerling, Franziska; Kemnitz, Erhard","Hydrated and dehydrated Ca-coordination polymers based on benzene-dicarboxylates: mechanochemical synthesis, structure refinement, and spectroscopic characterization","CrystEngComm","2018","20","7","946","","10.1039/C7CE01906H","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","0.566","1.25","","","","","","","has coordinates","229070","2020-10-21","18:00:00",""
"7229824","18.6509","0.0014","18.6509","0.0014","12.2593","0.0019","90","","90","","90","","4264.5","0.8","175","2","175","2","","","","","","","","7","P 4/n m m","-P 4a 2a","129","","","","- C28 H44 Cu4 I4 N4 O32 Tb4 -","- C28 H44 Cu4 I4 N4 O32 Tb4 -","- C56 H88 Cu8 I8 N8 O64 Tb8 -","2","","","Liu, Jin-Hua; Gu, Ya-Nan; Chen, Yi; Qi, Yan-Jie; Li, Xin-Xiong; Zheng, Shou-Tian","Incorporating Cuprous-halide Clusters and Lanthanide Clusters to Construct Heterometallic Cluster Organic Frameworks with Luminescent and Gas Adsorption Properties","CrystEngComm","2017","","","","","10.1039/C7CE01963G","","","0.71073","MoKα","","0.0803","0.0694","","","0.2145","0.2222","","","","","","1.063","","","","has coordinates","204556","2020-10-21","18:00:00",""
"7229825","18.529","0.004","18.529","0.004","12.303","0.002","90","","90","","90","","4223.9","1.5","175","2","175","2","","","","","","","","7","P 4/n m m","-P 4a 2a","129","","","","- C28 H44 Cu4 I4 N4 O32 Y4 -","- C28 H44 Cu4 I4 N4 O32 Y4 -","- C56 H88 Cu8 I8 N8 O64 Y8 -","2","","","Liu, Jin-Hua; Gu, Ya-Nan; Chen, Yi; Qi, Yan-Jie; Li, Xin-Xiong; Zheng, Shou-Tian","Incorporating Cuprous-halide Clusters and Lanthanide Clusters to Construct Heterometallic Cluster Organic Frameworks with Luminescent and Gas Adsorption Properties","CrystEngComm","2017","","","","","10.1039/C7CE01963G","","","0.71073","MoKα","","0.0631","0.0537","","","0.1746","0.1808","","","","","","1.005","","","","has coordinates","204556","2020-10-21","18:00:00",""
"7229826","18.621","0.0009","18.621","0.0009","12.3194","0.0012","90","","90","","90","","4271.6","0.5","175","2","175","2","","","","","","","","7","P 4/n m m","-P 4a 2a","129","","","","- C28 H44 Cu4 Eu4 I4 N4 O32 -","- C28 H44 Cu4 Eu4 I4 N4 O32 -","- C56 H88 Cu8 Eu8 I8 N8 O64 -","2","","","Liu, Jin-Hua; Gu, Ya-Nan; Chen, Yi; Qi, Yan-Jie; Li, Xin-Xiong; Zheng, Shou-Tian","Incorporating Cuprous-halide Clusters and Lanthanide Clusters to Construct Heterometallic Cluster Organic Frameworks with Luminescent and Gas Adsorption Properties","CrystEngComm","2017","","","","","10.1039/C7CE01963G","","","0.71073","MoKα","","0.0768","0.0697","","","0.2167","0.2223","","","","","","1.061","","","","has coordinates","204556","2020-10-21","18:00:00",""
"7229827","16.25176","0.00016","16.25176","0.00016","16.6475","0.0003","90","","90","","90","","4396.93","0.1","173","0.1","173","0.1","","","","","","","","6","I 41 2 2","I 4bw 2bw","98","","","","- C48 H32 N6 O8 S Zn2 -","- C48 H32 N6 O8 S1.002 Zn2 -","- C192 H128 N24 O32 S4.008 Zn8 -","4","0.25","","Song, Wei-Chao; Liang, Ling; Cui, Xun-Zhe; Wang, Xiu-Guang; Yang, En-Cui; Zhao, Xiao-Jun","Assembly of ZnII-coordination polymers constructed from benzothiadiazole functionalized bipyridines and V-shaped dicarboxylic acids: topology variety, photochemical and visible-light-driven photocatalytic properties","CrystEngComm","2018","20","5","668","","10.1039/C7CE01933E","","x-ray","1.54184","CuKα","","0.0422","0.0398","","","0.0998","0.1021","","","","","","1.054","","","","has coordinates,has disorder","228960","2020-10-21","18:00:00",""
"7229828","14.8009","0.0003","24.9586","0.0004","15.8871","0.0003","90","","109.897","0.0019","90","","5518.5","0.19","173","0.1","173","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C56.25 H49.25 N6.75 O12.75 S Zn2 -","- C56.25 H49.25 N6.75 O12.75 S Zn2 -","- C225 H197 N27 O51 S4 Zn8 -","4","1","","Song, Wei-Chao; Liang, Ling; Cui, Xun-Zhe; Wang, Xiu-Guang; Yang, En-Cui; Zhao, Xiao-Jun","Assembly of ZnII-coordination polymers constructed from benzothiadiazole functionalized bipyridines and V-shaped dicarboxylic acids: topology variety, photochemical and visible-light-driven photocatalytic properties","CrystEngComm","2018","20","5","668","","10.1039/C7CE01933E","","x-ray","1.54184","CuKα","","0.0391","0.0366","","","0.1023","0.1043","","","","","","1.06","","","","has coordinates","228960","2020-10-21","18:00:00",""
"7229829","13.3978","0.0006","14.469","0.0008","15.9117","0.0005","95.51","0.004","104.353","0.004","116.956","0.005","2584.9","0.3","173","0.1","173","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C116 H78 N12 O22 S3 Zn4 -","- C116 H74 N12 O20 S3 Zn4 -","- C116 H74 N12 O20 S3 Zn4 -","1","0.5","","Song, Wei-Chao; Liang, Ling; Cui, Xun-Zhe; Wang, Xiu-Guang; Yang, En-Cui; Zhao, Xiao-Jun","Assembly of ZnII-coordination polymers constructed from benzothiadiazole functionalized bipyridines and V-shaped dicarboxylic acids: topology variety, photochemical and visible-light-driven photocatalytic properties","CrystEngComm","2018","20","5","668","","10.1039/C7CE01933E","","","1.54184","CuKα","","0.1074","0.0888","","","0.2333","0.2729","","","","","","1.044","","","","has coordinates,has disorder","228960","2020-10-21","18:00:00",""
"7229830","13.5045","0.0003","23.0471","0.0004","15.8666","0.0004","90","","114.098","0.003","90","","4507.9","0.2","173","0.1","173","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C48 H30 N4 O12 S3 Zn2 -","- C48 H30 N4 O12 S3 Zn2 -","- C192 H120 N16 O48 S12 Zn8 -","4","0.5","","Song, Wei-Chao; Liang, Ling; Cui, Xun-Zhe; Wang, Xiu-Guang; Yang, En-Cui; Zhao, Xiao-Jun","Assembly of ZnII-coordination polymers constructed from benzothiadiazole functionalized bipyridines and V-shaped dicarboxylic acids: topology variety, photochemical and visible-light-driven photocatalytic properties","CrystEngComm","2018","20","5","668","","10.1039/C7CE01933E","","x-ray","1.54184","CuKα","","0.0571","0.0505","","","0.1252","0.1292","","","","","","1.127","","","","has coordinates,has disorder","228960","2020-10-21","18:00:00",""
"7229833","8.0788","0.0004","9.6116","0.0005","15.109","0.0008","96.069","0.005","93.599","0.004","108.477","0.005","1100.72","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H17 Mn N3 O7 -","- C26 H17 Mn N3 O7 -","- C52 H34 Mn2 N6 O14 -","2","1","","Gu, Jin-Zhong; Cai, Yan; Liang, Xiao-Xiao; Wu, Jiang; Shi, Zi-Fa; Kirillov, Alexander M.","Bringing 5-(3,4-dicarboxylphenyl)picolinic acid to crystal engineering research: hydrothermal assembly, structural features, and photocatalytic activity of Mn, Ni, Cu, and Zn coordination polymers","CrystEngComm","2018","20","7","906","","10.1039/C7CE02009K","","","0.71073","MoKα","","0.0719","0.046","","","0.0806","0.0907","","","","","","1.022","","","","has coordinates","229071","2020-10-21","18:00:00",""
"7229834","20.3749","0.0019","7.5106","0.0006","16.0252","0.0015","90","","124.774","0.014","90","","2014.3","0.5","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C20 H17 Mn N5 O8 -","- C20 H17 Mn N5 O8 -","- C80 H68 Mn4 N20 O32 -","4","1","","Gu, Jin-Zhong; Cai, Yan; Liang, Xiao-Xiao; Wu, Jiang; Shi, Zi-Fa; Kirillov, Alexander M.","Bringing 5-(3,4-dicarboxylphenyl)picolinic acid to crystal engineering research: hydrothermal assembly, structural features, and photocatalytic activity of Mn, Ni, Cu, and Zn coordination polymers","CrystEngComm","2018","20","7","906","","10.1039/C7CE02009K","","","0.71073","MoKα","","0.0609","0.0463","","","0.082","0.0915","","","","","","1.004","","","","has coordinates","229071","2020-10-21","18:00:00",""
"7229835","7.7854","0.0005","13.5993","0.0011","14.8167","0.001","110.658","0.007","98.024","0.006","99.705","0.006","1412.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H56 N6 Ni3 O22 -","- C60 H56 N6 Ni3 O22 -","- C60 H56 N6 Ni3 O22 -","1","0.5","","Gu, Jin-Zhong; Cai, Yan; Liang, Xiao-Xiao; Wu, Jiang; Shi, Zi-Fa; Kirillov, Alexander M.","Bringing 5-(3,4-dicarboxylphenyl)picolinic acid to crystal engineering research: hydrothermal assembly, structural features, and photocatalytic activity of Mn, Ni, Cu, and Zn coordination polymers","CrystEngComm","2018","20","7","906","","10.1039/C7CE02009K","","","0.71073","MoKα","","0.0669","0.0483","","","0.1155","0.129","","","","","","1.002","","","","has coordinates","229071","2020-10-21","18:00:00",""
"7229836","14.2351","0.0004","10.6253","0.0003","15.7359","0.0004","90","","98.541","0.002","90","","2353.69","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H40 N6 O18 Zn3 -","- C52 H40 N6 O18 Zn3 -","- C104 H80 N12 O36 Zn6 -","2","0.5","","Gu, Jin-Zhong; Cai, Yan; Liang, Xiao-Xiao; Wu, Jiang; Shi, Zi-Fa; Kirillov, Alexander M.","Bringing 5-(3,4-dicarboxylphenyl)picolinic acid to crystal engineering research: hydrothermal assembly, structural features, and photocatalytic activity of Mn, Ni, Cu, and Zn coordination polymers","CrystEngComm","2018","20","7","906","","10.1039/C7CE02009K","","","0.71073","MoKα","","0.0609","0.0421","","","0.0952","0.1074","","","","","","1.021","","","","has coordinates","229071","2020-10-21","18:00:00",""
"7229837","14.3761","0.0017","12.3797","0.0014","19.691","0.002","90","","102.829","0.01","90","","3417","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H31 N5 Ni O10 -","- C38 H31 N5 Ni O10 -","- C152 H124 N20 Ni4 O40 -","4","1","","Gu, Jin-Zhong; Cai, Yan; Liang, Xiao-Xiao; Wu, Jiang; Shi, Zi-Fa; Kirillov, Alexander M.","Bringing 5-(3,4-dicarboxylphenyl)picolinic acid to crystal engineering research: hydrothermal assembly, structural features, and photocatalytic activity of Mn, Ni, Cu, and Zn coordination polymers","CrystEngComm","2018","20","7","906","","10.1039/C7CE02009K","","","0.71073","MoKα","","0.1676","0.0828","","","0.1942","0.2622","","","","","","1.037","","","","has coordinates","229071","2020-10-21","18:00:00",""
"7229838","10.2513","0.0008","14.1783","0.0011","27.31","0.002","88.503","0.006","85.396","0.006","84.24","0.007","3936","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C90 H62 Cu3.5 N11 O23 -","- C90 H62 Cu3.5 N11 O23 -","- C180 H124 Cu7 N22 O46 -","2","1","","Gu, Jin-Zhong; Cai, Yan; Liang, Xiao-Xiao; Wu, Jiang; Shi, Zi-Fa; Kirillov, Alexander M.","Bringing 5-(3,4-dicarboxylphenyl)picolinic acid to crystal engineering research: hydrothermal assembly, structural features, and photocatalytic activity of Mn, Ni, Cu, and Zn coordination polymers","CrystEngComm","2018","20","7","906","","10.1039/C7CE02009K","","","0.71073","MoKα","","0.1584","0.0779","","","0.1065","0.1371","","","","","","1.129","","","","has coordinates","229071","2020-10-21","18:00:00",""
"7229839","16.2136","0.0005","9.0346","0.0003","21.3033","0.0006","90","","107.852","0.003","90","","2970.33","0.17","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H19 N3 Ni O8 -","- C24 H19 N3 Ni O8 -","- C96 H76 N12 Ni4 O32 -","4","1","","Gu, Jin-Zhong; Cai, Yan; Liang, Xiao-Xiao; Wu, Jiang; Shi, Zi-Fa; Kirillov, Alexander M.","Bringing 5-(3,4-dicarboxylphenyl)picolinic acid to crystal engineering research: hydrothermal assembly, structural features, and photocatalytic activity of Mn, Ni, Cu, and Zn coordination polymers","CrystEngComm","2018","20","7","906","","10.1039/C7CE02009K","","","0.71073","MoKα","","0.0786","0.0626","","","0.2","0.217","","","","","","1.07","","","","has coordinates","229071","2020-10-21","18:00:00",""
"7229840","8.0133","0.0009","37.244","0.004","6.9698","0.0008","90","","92.806","0.002","90","","2077.6","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22.31 F N3 O7.16 -","- C21 H22.31 F N3 O7.155 -","- C84 H89.24 F4 N12 O28.62 -","4","1","","Surov, Artem O.; Voronin, Alexander P.; Drozd, Ksenia V.; Churakov, Andrei V.; Roussel, Pascal; Perlovich, German L.","Diversity of crystal structures and physicochemical properties of ciprofloxacin and norfloxacin salts with fumaric acid","CrystEngComm","2018","20","6","755","","10.1039/C7CE02033C","","","0.71073","MoKα","","0.0545","0.0427","","","0.1072","0.115","","","","","","1.025","","","","has coordinates","229005","2020-10-21","18:00:00",""
"7229841","8.1127","0.0008","9.6281","0.0009","27.38","0.003","90","","93.525","0.002","90","","2134.6","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 F N3 O9 -","- C20 H26 F N3 O9 -","- C80 H104 F4 N12 O36 -","4","1","","Surov, Artem O.; Voronin, Alexander P.; Drozd, Ksenia V.; Churakov, Andrei V.; Roussel, Pascal; Perlovich, German L.","Diversity of crystal structures and physicochemical properties of ciprofloxacin and norfloxacin salts with fumaric acid","CrystEngComm","2018","20","6","755","","10.1039/C7CE02033C","","","0.71073","MoKα","","0.0613","0.0392","","","0.081","0.0898","","","","","","1.021","","","","has coordinates","229005","2020-10-21","18:00:00",""
"7229842","6.7869","0.0004","9.3544","0.0006","15.73","0.0009","93.6351","0.0009","92.6297","0.0009","110.917","0.0009","928.45","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H44 F2 N6 O12 -","- C36 H44 F2 N6 O12 -","- C36 H44 F2 N6 O12 -","1","0.5","","Surov, Artem O.; Voronin, Alexander P.; Drozd, Ksenia V.; Churakov, Andrei V.; Roussel, Pascal; Perlovich, German L.","Diversity of crystal structures and physicochemical properties of ciprofloxacin and norfloxacin salts with fumaric acid","CrystEngComm","2018","20","6","755","","10.1039/C7CE02033C","","","0.71073","MoKα","","0.0418","0.0359","","","0.0985","0.1034","","","","","","1.04","","","","has coordinates","229005","2020-10-21","18:00:00",""
"7229852","8.5564","0.0004","12.4605","0.0005","17.046","0.0007","79.561","0.002","85.274","0.002","71.155","0.002","1690.95","0.13","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","2-aminoheptafluoronaphthalene 18-crown-6 2:1 associate","","- C32 H28 F14 N2 O6 -","- C32 H28 F14 N2 O6 -","- C64 H56 F28 N4 O12 -","2","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Pishchur, Denis P.; Chuikov, Igor P.; Malykhin, Evgenij V.","Controlled self-assembly of π-stacked/H-bonded 1D crystal structures from polyfluorinated arylamines and 18-crown-6 (2 : 1). Associatevs.co-former fluorescence properties","CrystEngComm","2018","20","6","807","","10.1039/C7CE01851G","","","0.71073","MoKα","","0.0592","0.0357","","","0.1128","0.1466","","","","","","1.028","","","","has coordinates","229007","2020-10-21","18:00:00",""
"7229853","9.2488","0.0004","9.8098","0.0005","9.8855","0.0005","105.139","0.003","105.804","0.003","114.814","0.002","707.24","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","pentafluoroaniline 18-crown-6 2:1 associate","","- C24 H28 F10 N2 O6 -","- C24 H28 F10 N2 O6 -","- C24 H28 F10 N2 O6 -","1","0.5","","Vaganova, Tamara A.; Gatilov, Yurij V.; Pishchur, Denis P.; Chuikov, Igor P.; Malykhin, Evgenij V.","Controlled self-assembly of π-stacked/H-bonded 1D crystal structures from polyfluorinated arylamines and 18-crown-6 (2 : 1). Associatevs.co-former fluorescence properties","CrystEngComm","2018","20","6","807","","10.1039/C7CE01851G","","","0.71073","MoKα","","0.0805","0.0584","","","0.1752","0.204","","","","","","0.965","","","","has coordinates","229007","2020-10-21","18:00:00",""
"7229854","6.1047","0.0007","13.2859","0.0011","7.4684","0.0009","90","","94.767","0.006","90","","603.64","0.11","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-aminotetrafluoropyridine","","- C5 H2 F4 N2 -","- C5 H2 F4 N2 -","- C20 H8 F16 N8 -","4","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Pishchur, Denis P.; Chuikov, Igor P.; Malykhin, Evgenij V.","Controlled self-assembly of π-stacked/H-bonded 1D crystal structures from polyfluorinated arylamines and 18-crown-6 (2 : 1). Associatevs.co-former fluorescence properties","CrystEngComm","2018","20","6","807","","10.1039/C7CE01851G","","","0.71073","MoKα","","0.052","0.0416","","","0.1498","0.1678","","","","","","0.997","","","","has coordinates","229007","2020-10-21","18:00:00",""
"7229855","14.55","0.012","11.592","0.012","34.58","0.03","90","","90.11","0.03","90","","5832","9","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-cyano-2,3,5,6-tetrafluoroaniline 18-crown-6 2:1 associate","","- C26 H28 F8 N4 O6 -","- C26 H27.532 F8 N4 O6 -","- C208 H220.256 F64 N32 O48 -","8","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Pishchur, Denis P.; Chuikov, Igor P.; Malykhin, Evgenij V.","Controlled self-assembly of π-stacked/H-bonded 1D crystal structures from polyfluorinated arylamines and 18-crown-6 (2 : 1). Associatevs.co-former fluorescence properties","CrystEngComm","2018","20","6","807","","10.1039/C7CE01851G","","","0.71073","MoKα","","0.1935","0.151","","","0.4463","0.4817","","","","","","1.903","","","","has coordinates,has disorder","229007","2020-10-21","18:00:00",""
"7229856","18.5893","0.0006","9.6007","0.0003","16.5096","0.0005","90","","116.454","0.001","90","","2637.95","0.14","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-amino-2,3,5,6-tetrafluoropyridine and 18-crown-6 2:1 associate","","- C22 H28 F8 N4 O6 -","- C22 H28 F8 N4 O6 -","- C88 H112 F32 N16 O24 -","4","0.5","","Vaganova, Tamara A.; Gatilov, Yurij V.; Pishchur, Denis P.; Chuikov, Igor P.; Malykhin, Evgenij V.","Controlled self-assembly of π-stacked/H-bonded 1D crystal structures from polyfluorinated arylamines and 18-crown-6 (2 : 1). Associatevs.co-former fluorescence properties","CrystEngComm","2018","20","6","807","","10.1039/C7CE01851G","","","0.71073","MoKα","","0.0707","0.0546","","","0.1307","0.1435","","","","","","1.054","","","","has coordinates,has disorder","229007","2020-10-21","18:00:00",""
"7229857","8.5736","0.0003","9.9242","0.0004","10.1058","0.0005","117.412","0.002","103.573","0.002","100.167","0.002","700.49","0.06","299","2","299","2","","","","","","","","5","P -1","-P 1","2","","2,3,5,6-tetrafluoroaniline and 18-crown-6 2:1 associate","","- C24 H30 F8 N2 O6 -","- C24 H30 F8 N2 O6 -","- C24 H30 F8 N2 O6 -","1","0.5","","Vaganova, Tamara A.; Gatilov, Yurij V.; Pishchur, Denis P.; Chuikov, Igor P.; Malykhin, Evgenij V.","Controlled self-assembly of π-stacked/H-bonded 1D crystal structures from polyfluorinated arylamines and 18-crown-6 (2 : 1). Associatevs.co-former fluorescence properties","CrystEngComm","2018","20","6","807","","10.1039/C7CE01851G","","","0.71073","MoKα","","0.0658","0.0517","","","0.1534","0.1738","","","","","","0.928","","","","has coordinates","229007","2020-10-21","18:00:00",""
"7229861","11.4313","0.0003","14.6649","0.0003","12.9413","0.0004","90","","102.751","0.003","90","","2115.96","0.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 Cd N4 O8 -","- C18 H19 Cd N4 O8 -","- C72 H76 Cd4 N16 O32 -","4","1","","Chisca, Diana; Croitor, Lilia; Petuhov, Oleg; Kulikova, Olga V.; Volodina, Galina F.; Coropceanu, Eduard B.; Masunov, Artëm E.; Fonari, Marina S.","Tuning structures and emissive properties in a series of Zn(ii) and Cd(ii) coordination polymers containing dicarboxylic acids and nicotinamide pillars","CrystEngComm","2018","20","4","432","","10.1039/C7CE01988B","","","0.71073","MoKα","","0.063","0.0411","","","0.076","0.0844","","","","","","1.005","","","","has coordinates","228992","2020-10-21","18:00:00",""
"7229862","9.24","0.002","9.716","0.003","11.092","0.005","100.29","0.03","90.03","0.02","100.76","0.02","962","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 Cd N4 O6 -","- C18 H20 Cd N4 O6 -","- C36 H40 Cd2 N8 O12 -","2","1","","Chisca, Diana; Croitor, Lilia; Petuhov, Oleg; Kulikova, Olga V.; Volodina, Galina F.; Coropceanu, Eduard B.; Masunov, Artëm E.; Fonari, Marina S.","Tuning structures and emissive properties in a series of Zn(ii) and Cd(ii) coordination polymers containing dicarboxylic acids and nicotinamide pillars","CrystEngComm","2018","20","4","432","","10.1039/C7CE01988B","","","0.71073","MoKα","","0.2304","0.1235","","","0.2738","0.339","","","","","","1.013","","","","has coordinates","228992","2020-10-21","18:00:00",""
"7229863","17.9994","0.0003","17.9994","0.0003","28.3709","0.0007","90","","90","","90","","9191.6","0.3","293","2","293","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C23 H23 N5 O7 Zn -","- C23 H23 N5 O7 Zn -","- C368 H368 N80 O112 Zn16 -","16","1","","Chisca, Diana; Croitor, Lilia; Petuhov, Oleg; Kulikova, Olga V.; Volodina, Galina F.; Coropceanu, Eduard B.; Masunov, Artëm E.; Fonari, Marina S.","Tuning structures and emissive properties in a series of Zn(ii) and Cd(ii) coordination polymers containing dicarboxylic acids and nicotinamide pillars","CrystEngComm","2018","20","4","432","","10.1039/C7CE01988B","","","0.71073","MoKα","","0.0331","0.0277","","","0.0608","0.0634","","","","","","1.054","","","","has coordinates","228992","2020-10-21","18:00:00",""
"7229864","30.7094","0.0013","7.0123","0.0003","7.4215","0.0004","90","","90","","90","","1598.17","0.13","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H17 N3 O7 Zn -","- C12 H17 N3 O7 Zn -","- C48 H68 N12 O28 Zn4 -","4","1","","Chisca, Diana; Croitor, Lilia; Petuhov, Oleg; Kulikova, Olga V.; Volodina, Galina F.; Coropceanu, Eduard B.; Masunov, Artëm E.; Fonari, Marina S.","Tuning structures and emissive properties in a series of Zn(ii) and Cd(ii) coordination polymers containing dicarboxylic acids and nicotinamide pillars","CrystEngComm","2018","20","4","432","","10.1039/C7CE01988B","","","0.71073","MoKα","","0.0636","0.0468","","","0.1106","0.1231","","","","","","1.019","","","","has coordinates,has disorder","228992","2020-10-21","18:00:00",""
"7229865","14.4827","0.0003","10.716","0.0002","18.3369","0.0004","90","","98.401","0.0019","90","","2815.29","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H31 Cd N7 O9 -","- C25 H31 Cd N7 O9 -","- C100 H124 Cd4 N28 O36 -","4","1","","Chisca, Diana; Croitor, Lilia; Petuhov, Oleg; Kulikova, Olga V.; Volodina, Galina F.; Coropceanu, Eduard B.; Masunov, Artëm E.; Fonari, Marina S.","Tuning structures and emissive properties in a series of Zn(ii) and Cd(ii) coordination polymers containing dicarboxylic acids and nicotinamide pillars","CrystEngComm","2018","20","4","432","","10.1039/C7CE01988B","","","0.71073","MoKα","","0.0588","0.0389","","","0.0648","0.0715","","","","","","0.998","","","","has coordinates","228992","2020-10-21","18:00:00",""
"7229866","18.3535","0.0007","18.3535","0.0007","28.847","0.0013","90","","90","","90","","9717.1","0.7","293","2","293","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C23 H23 Cd N5 O7 -","- C23 H23 Cd N5 O7 -","- C368 H368 Cd16 N80 O112 -","16","1","","Chisca, Diana; Croitor, Lilia; Petuhov, Oleg; Kulikova, Olga V.; Volodina, Galina F.; Coropceanu, Eduard B.; Masunov, Artëm E.; Fonari, Marina S.","Tuning structures and emissive properties in a series of Zn(ii) and Cd(ii) coordination polymers containing dicarboxylic acids and nicotinamide pillars","CrystEngComm","2018","20","4","432","","10.1039/C7CE01988B","","","0.71073","MoKα","","0.0405","0.0328","","","0.0799","0.0855","","","","","","1.02","","","","has coordinates","228992","2020-10-21","18:00:00",""
"7229867","9.1569","0.0003","9.3193","0.0005","14.7832","0.0007","74.014","0.005","81.153","0.004","79.432","0.004","1185.04","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 Cd N5 O7 -","- C21 H27 Cd N5 O7 -","- C42 H54 Cd2 N10 O14 -","2","1","","Chisca, Diana; Croitor, Lilia; Petuhov, Oleg; Kulikova, Olga V.; Volodina, Galina F.; Coropceanu, Eduard B.; Masunov, Artëm E.; Fonari, Marina S.","Tuning structures and emissive properties in a series of Zn(ii) and Cd(ii) coordination polymers containing dicarboxylic acids and nicotinamide pillars","CrystEngComm","2018","20","4","432","","10.1039/C7CE01988B","","","0.71073","MoKα","","0.0677","0.0466","","","0.061","0.0685","","","","","","0.999","","","","has coordinates","228992","2020-10-21","18:00:00",""
"7229868","31.0771","0.0015","7.1271","0.0004","7.6076","0.0004","90","","90","","90","","1685","0.15","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H17 Cd N3 O7 -","- C12 H17 Cd N3 O7 -","- C48 H68 Cd4 N12 O28 -","4","1","","Chisca, Diana; Croitor, Lilia; Petuhov, Oleg; Kulikova, Olga V.; Volodina, Galina F.; Coropceanu, Eduard B.; Masunov, Artëm E.; Fonari, Marina S.","Tuning structures and emissive properties in a series of Zn(ii) and Cd(ii) coordination polymers containing dicarboxylic acids and nicotinamide pillars","CrystEngComm","2018","20","4","432","","10.1039/C7CE01988B","","","0.71073","MoKα","","0.0829","0.0478","","","0.064","0.0724","","","","","","0.994","","","","has coordinates,has disorder","228992","2020-10-21","18:00:00",""
"7229869","7.1206","0.0002","30.8546","0.0013","7.4367","0.0002","90","","90.534","0.003","90","","1633.8","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H17 N3 O7 Zn -","- C12 H17 N3 O7 Zn -","- C48 H68 N12 O28 Zn4 -","4","1","","Chisca, Diana; Croitor, Lilia; Petuhov, Oleg; Kulikova, Olga V.; Volodina, Galina F.; Coropceanu, Eduard B.; Masunov, Artëm E.; Fonari, Marina S.","Tuning structures and emissive properties in a series of Zn(ii) and Cd(ii) coordination polymers containing dicarboxylic acids and nicotinamide pillars","CrystEngComm","2018","20","4","432","","10.1039/C7CE01988B","","","0.71073","MoKα","","0.064","0.0587","","","0.1584","0.1609","","","","","","1.088","","","","has coordinates,has disorder","228992","2020-10-21","18:00:00",""
"7229870","31.782","0.002","7.0949","0.0005","7.3953","0.0005","90","","90","","90","","1667.57","0.19","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C12 H17 N3 O6 S Zn -","- C12 H17 N3 O6 S Zn -","- C48 H68 N12 O24 S4 Zn4 -","4","1","","Chisca, Diana; Croitor, Lilia; Petuhov, Oleg; Kulikova, Olga V.; Volodina, Galina F.; Coropceanu, Eduard B.; Masunov, Artëm E.; Fonari, Marina S.","Tuning structures and emissive properties in a series of Zn(ii) and Cd(ii) coordination polymers containing dicarboxylic acids and nicotinamide pillars","CrystEngComm","2018","20","4","432","","10.1039/C7CE01988B","","","0.71073","MoKα","","0.0581","0.0454","","","0.101","0.111","","","","","","1.022","","","","has coordinates,has disorder","228992","2020-10-21","18:00:00",""
"7229871","7.2332","0.0003","29.3496","0.001","7.6871","0.0003","90","","94.263","0.003","90","","1627.39","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H17 Cd N3 O7 -","- C12 H17 Cd N3 O7 -","- C48 H68 Cd4 N12 O28 -","4","1","","Chisca, Diana; Croitor, Lilia; Petuhov, Oleg; Kulikova, Olga V.; Volodina, Galina F.; Coropceanu, Eduard B.; Masunov, Artëm E.; Fonari, Marina S.","Tuning structures and emissive properties in a series of Zn(ii) and Cd(ii) coordination polymers containing dicarboxylic acids and nicotinamide pillars","CrystEngComm","2018","20","4","432","","10.1039/C7CE01988B","","","0.71073","MoKα","","0.0447","0.0337","","","0.0643","0.0691","","","","","","1.062","","","","has coordinates","228992","2020-10-21","18:00:00",""
"7229872","6.0843","0.0004","13.0084","0.0006","23.5288","0.0012","97.915","0.004","95.39","0.005","95.166","0.004","1826.3","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H22 Cd N2 O8 -","- C14 H22 Cd N2 O8 -","- C56 H88 Cd4 N8 O32 -","4","2","","Chisca, Diana; Croitor, Lilia; Petuhov, Oleg; Kulikova, Olga V.; Volodina, Galina F.; Coropceanu, Eduard B.; Masunov, Artëm E.; Fonari, Marina S.","Tuning structures and emissive properties in a series of Zn(ii) and Cd(ii) coordination polymers containing dicarboxylic acids and nicotinamide pillars","CrystEngComm","2018","20","4","432","","10.1039/C7CE01988B","","","0.71073","MoKα","","0.0492","0.0336","","","0.0598","0.0663","","","","","","0.979","","","","has coordinates,has disorder","228992","2020-10-21","18:00:00",""
"7229873","14","0.0012","23.672","0.002","26.421","0.002","90","","92.048","0.002","90","","8750.5","1.2","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C92 H77 Cd4 O54.5 -","- C92 H77 Cd4 O54.5 -","- C368 H308 Cd16 O218 -","4","1","","Yan, Yang-Tian; Liu, Jiao; Yang, Guo-Ping; Zhang, Fang; Fan, Ya-Ke; Zhang, Wen-Yan; Wang, Yao-Yu","Highly selective luminescence sensing for the detection of nitrobenzene and Fe3+ by new Cd(ii)-based MOFs","CrystEngComm","2018","20","4","477","","10.1039/C7CE01920C","","","0.71073","MoKα","","0.0447","0.0358","","","0.0928","0.0985","","","","","","1.027","","","","has coordinates,has disorder","228991","2020-10-21","18:00:00",""
"7229874","16.495","0.003","10.1203","0.0019","20.613","0.004","90","","95.377","0.004","90","","3425.9","1.1","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H35 Cd N3 O12.5 -","- C29 H35 Cd N3 O12.5 -","- C116 H140 Cd4 N12 O50 -","4","1","","Yan, Yang-Tian; Liu, Jiao; Yang, Guo-Ping; Zhang, Fang; Fan, Ya-Ke; Zhang, Wen-Yan; Wang, Yao-Yu","Highly selective luminescence sensing for the detection of nitrobenzene and Fe3+ by new Cd(ii)-based MOFs","CrystEngComm","2018","20","4","477","","10.1039/C7CE01920C","","","0.71073","MoKα","","0.1254","0.0777","","","0.2215","0.2788","","","","","","1.041","","","","has coordinates,has disorder","228991","2020-10-21","18:00:00",""
"7229875","31.84","0.01","13.478","0.004","19.854","0.006","90","","91.365","0.006","90","","8518","4","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H18 Cd2 N O11 -","- C27 H18 Cd2 N O11 -","- C216 H144 Cd16 N8 O88 -","8","1","","Yan, Yang-Tian; Liu, Jiao; Yang, Guo-Ping; Zhang, Fang; Fan, Ya-Ke; Zhang, Wen-Yan; Wang, Yao-Yu","Highly selective luminescence sensing for the detection of nitrobenzene and Fe3+ by new Cd(ii)-based MOFs","CrystEngComm","2018","20","4","477","","10.1039/C7CE01920C","","","0.71073","MoKα","","0.0733","0.0589","","","0.1526","0.1603","","","","","","1.044","","","","has coordinates","228991","2020-10-21","18:00:00",""
"7229888","9.1829","0.0005","25.6141","0.0016","18.5826","0.0012","90","","99.823","0.002","90","","4306.8","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-acetyl-3-(phenyl)-5-(1-pyrenyl) pyrazoline-formic acid solvate","","- C112 H88 N8 O12 -","- C112 H88 N8 O12 -","- C224 H176 N16 O24 -","2","0.5","","Feng, Qi; Wang, Jiali; Ding, Shiyuan; Chen, Yang; Diao, Guowang; Zhu, Pingting","Polymorphism and solvates of 1-acetyl-3-(phenyl)-5-(1-pyrenyl)pyrazoline: the structures, thermal and optical-physical properties","CrystEngComm","2018","20","5","661","","10.1039/C7CE01990D","","","0.71073","MoKα","","0.2024","0.0884","","","0.2102","0.2595","","","","","","1.024","","","","has coordinates,has disorder","228959","2020-10-21","18:00:00",""
"7229889","10.5529","0.0018","25.439","0.005","8.9279","0.0015","90","","90","","90","","2396.7","0.7","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","1-acetyl-3-(phenyl)-5-(1-pyrenyl) pyrazoline-propanoic acid solvate","","- C30 H26 N2 O3 -","- C30 H26 N2 O3 -","- C120 H104 N8 O12 -","4","1","","Feng, Qi; Wang, Jiali; Ding, Shiyuan; Chen, Yang; Diao, Guowang; Zhu, Pingting","Polymorphism and solvates of 1-acetyl-3-(phenyl)-5-(1-pyrenyl)pyrazoline: the structures, thermal and optical-physical properties","CrystEngComm","2018","20","5","661","","10.1039/C7CE01990D","","","0.71073","MoKα","","0.0782","0.0429","","","0.0915","0.103","","","","","","1.016","","","","has coordinates","228959","2020-10-21","18:00:00",""
"7229890","9.3054","0.0009","28.633","0.003","15.6531","0.0016","90","","103.437","0.003","90","","4056.5","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-acetyl-3-(phenyl)-5-(1-pyrenyl) pyrazoline","","- C27 H20 N2 O -","- C27 H20 N2 O -","- C216 H160 N16 O8 -","8","2","","Feng, Qi; Wang, Jiali; Ding, Shiyuan; Chen, Yang; Diao, Guowang; Zhu, Pingting","Polymorphism and solvates of 1-acetyl-3-(phenyl)-5-(1-pyrenyl)pyrazoline: the structures, thermal and optical-physical properties","CrystEngComm","2018","20","5","661","","10.1039/C7CE01990D","","","0.71073","MoKα","","0.1595","0.0629","","","0.1346","0.1688","","","","","","1.01","","","","has coordinates","228959","2020-10-21","18:00:00",""
"7229901","7.8201","0.0016","8.318","0.0017","11.36","0.002","91.58","0.03","92.89","0.03","116.34","0.03","660.3","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C28 H28 N4 O8 -","2","1","","Amombo Noa, Francoise M.; Mehlana, Gift","Co-crystals and Salts of Vanillic Acid and Vanillin with Amines","CrystEngComm","2018","20","7","896","905","10.1039/c7ce02022h","","","0.71073","MoKα","","0.0493","0.039","","","0.1069","0.1146","","","","","","1.057","","","","has coordinates","218546","2020-10-21","18:00:00",""
"7229902","17.887","0.002","7.0953","0.0009","23.419","0.003","90","","90","","90","","2972.2","0.6","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H20 N4 O4 -","- C14 H20 N4 O4 -","- C112 H160 N32 O32 -","8","1","","Amombo Noa, Francoise M.; Mehlana, Gift","Co-crystals and Salts of Vanillic Acid and Vanillin with Amines","CrystEngComm","2018","20","7","896","905","10.1039/c7ce02022h","","","0.71073","MoKα","","0.0492","0.0382","","","0.0945","0.1019","","","","","","1.026","","","","has coordinates","218546","2020-10-21","18:00:00",""
"7229903","30.274","0.003","6.7982","0.0007","14.2368","0.0014","90","","115.727","0.002","90","","2639.6","0.5","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H19 N2 O4.5 -","- C12 H19 N2 O4.5 -","- C96 H152 N16 O36 -","8","1","","Amombo Noa, Francoise M.; Mehlana, Gift","Co-crystals and Salts of Vanillic Acid and Vanillin with Amines","CrystEngComm","2018","20","7","896","905","10.1039/c7ce02022h","","","0.71073","MoKα","","0.0491","0.0428","","","0.1164","0.1223","","","","","","1.04","","","","has coordinates","218546","2020-10-21","18:00:00",""
"7229904","9.8016","0.0014","10.7859","0.0015","11.3248","0.0016","70.022","0.003","78.358","0.003","86.692","0.003","1102","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H24 N6 O7 -","- C22 H24 N6 O7 -","- C44 H48 N12 O14 -","2","1","","Amombo Noa, Francoise M.; Mehlana, Gift","Co-crystals and Salts of Vanillic Acid and Vanillin with Amines","CrystEngComm","2018","20","7","896","905","10.1039/c7ce02022h","","","0.71073","MoKα","","0.0768","0.054","","","0.1374","0.1519","","","","","","1.047","","","","has coordinates","218546","2020-10-21","18:00:00",""
"7229905","8.3765","0.001","8.4985","0.001","12.2641","0.0014","79.403","0.002","76.928","0.002","80.829","0.002","829.58","0.17","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H20 N4 O7 -","- C15 H20 N4 O7 -","- C30 H40 N8 O14 -","2","1","","Amombo Noa, Francoise M.; Mehlana, Gift","Co-crystals and Salts of Vanillic Acid and Vanillin with Amines","CrystEngComm","2018","20","7","896","905","10.1039/c7ce02022h","","","0.71073","MoKα","","0.0431","0.0385","","","0.1065","0.1108","","","","","","1.04","","","","has coordinates,has disorder","218546","2020-10-21","18:00:00",""
"7229906","25.812","0.002","10.0083","0.0009","11.1713","0.001","90","","99.7","0.002","90","","2844.7","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H21 N2 O4.5 -","- C14 H21 N2 O4.5 -","- C112 H168 N16 O36 -","8","2","","Amombo Noa, Francoise M.; Mehlana, Gift","Co-crystals and Salts of Vanillic Acid and Vanillin with Amines","CrystEngComm","2018","20","7","896","905","10.1039/c7ce02022h","","","0.71073","MoKα","","0.064","0.0518","","","0.129","0.1361","","","","","","1.054","","","","has coordinates","218546","2020-10-21","18:00:00",""
"7229907","7.3089","0.0006","7.3878","0.0006","10.8979","0.0009","94.198","0.001","90.084","0.002","98.051","0.001","581.05","0.08","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H12 N2 O5 -","- C12 H12 N2 O5 -","- C24 H24 N4 O10 -","2","1","","Amombo Noa, Francoise M.; Mehlana, Gift","Co-crystals and Salts of Vanillic Acid and Vanillin with Amines","CrystEngComm","2018","20","7","896","905","10.1039/c7ce02022h","","","0.71073","MoKα","","0.0374","0.0346","","","0.0975","0.1004","","","","","","1.042","","","","has coordinates","218546","2020-10-21","18:00:00",""
"7229908","19.046","0.002","7.1278","0.0008","15.6486","0.0018","90","","113.193","0.002","90","","1952.7","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N4 O6 -","- C20 H20 N4 O6 -","- C80 H80 N16 O24 -","4","1","","Amombo Noa, Francoise M.; Mehlana, Gift","Co-crystals and Salts of Vanillic Acid and Vanillin with Amines","CrystEngComm","2018","20","7","896","905","10.1039/c7ce02022h","","","0.71073","MoKα","","0.0705","0.0446","","","0.1035","0.1168","","","","","","1.039","","","","has coordinates","218546","2020-10-21","18:00:00",""
"7229909","7.1376","0.0004","9.5383","0.0005","16.6511","0.0009","98.339","0.001","101.009","0.001","108.288","0.001","1030.69","0.1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H20 N3 O4 -","- C26 H20 N3 O4 -","- C52 H40 N6 O8 -","2","1","","Amombo Noa, Francoise M.; Mehlana, Gift","Co-crystals and Salts of Vanillic Acid and Vanillin with Amines","CrystEngComm","2018","20","7","896","905","10.1039/c7ce02022h","","","0.71073","MoKα","","0.0501","0.0399","","","0.1025","0.1084","","","","","","1.068","","","","has coordinates","218546","2020-10-21","18:00:00",""
"7229910","15.286","0.003","9.921","0.002","19.852","0.004","90","","108.46","0.03","90","","2855.7","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 Co N6 O8 -","- C28 H26 Co N6 O8 -","- C112 H104 Co4 N24 O32 -","4","1","","Wei, Hai-Wen; Yang, Qing-Feng; Lai, Xiao-Yong; Wang, Xiao-Zhong; Yang, Tian-Lin; Hou, Qin; Liu, Xiang-Yu","Field-induced slow relaxation of magnetization in a distorted octahedral mononuclear high-spin Co(ii) complex","CrystEngComm","2018","20","7","962","","10.1039/C7CE01981E","","","0.71073","MoKα","","0.0822","0.0511","","","0.1051","0.1151","","","","","","1.038","","","","has coordinates","229069","2020-10-21","18:00:00",""
"7229911","15.276","0.003","9.993","0.002","19.942","0.004","90","","108.46","0.03","90","","2887.6","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 Fe N6 O8 -","- C28 H26 Fe N6 O8 -","- C112 H104 Fe4 N24 O32 -","4","1","","Wei, Hai-Wen; Yang, Qing-Feng; Lai, Xiao-Yong; Wang, Xiao-Zhong; Yang, Tian-Lin; Hou, Qin; Liu, Xiang-Yu","Field-induced slow relaxation of magnetization in a distorted octahedral mononuclear high-spin Co(ii) complex","CrystEngComm","2018","20","7","962","","10.1039/C7CE01981E","","","0.71073","MoKα","","0.1177","0.068","","","0.12","0.1337","","","","","","1.1","","","","has coordinates","229069","2020-10-21","18:00:00",""
"7229912","9.765","0.0003","25.1863","0.0009","18.985","0.0007","90","","104.254","0.001","90","","4525.5","0.3","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","ABN.2DMABN","","","- C25 H26 N6 -","- C25 H26 N6 -","- C200 H208 N48 -","8","2","","Alimi, Lukman O.; Lama, Prem; Smith, Vincent J.; Barbour, Leonard J.","Large volumetric thermal expansion of a novel organic cocrystal over a wide temperature range","CrystEngComm","2018","20","5","631","","10.1039/C7CE01848G","","","0.71073","MoKα","","0.1383","0.0876","","","0.2192","0.2858","","","","","","1.026","","","","has coordinates","228957","2020-10-21","18:00:00",""
"7229913","9.7912","0.0002","25.4967","0.0008","19.1789","0.0005","90","","104.291","0.001","90","","4639.7","0.2","240","2","240","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","ABN.2DMABN","","","- C25 H26 N6 -","- C25 H26 N6 -","- C200 H208 N48 -","8","2","","Alimi, Lukman O.; Lama, Prem; Smith, Vincent J.; Barbour, Leonard J.","Large volumetric thermal expansion of a novel organic cocrystal over a wide temperature range","CrystEngComm","2018","20","5","631","","10.1039/C7CE01848G","","","0.71073","MoKα","","0.1472","0.0647","","","0.1651","0.2279","","","","","","1.046","","","","has coordinates","228957","2020-10-21","18:00:00",""
"7229914","9.8071","0.0002","25.6011","0.0007","19.2577","0.0005","90","","104.347","0.001","90","","4684.3","0.2","280","2","280","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","ABN.2DMABN","","","- C25 H26 N6 -","- C25 H26 N6 -","- C200 H208 N48 -","8","2","","Alimi, Lukman O.; Lama, Prem; Smith, Vincent J.; Barbour, Leonard J.","Large volumetric thermal expansion of a novel organic cocrystal over a wide temperature range","CrystEngComm","2018","20","5","631","","10.1039/C7CE01848G","","","0.71073","MoKα","","0.1653","0.0703","","","0.1864","0.2595","","","","","","1.061","","","","has coordinates","228957","2020-10-21","18:00:00",""
"7229915","9.7994","0.0002","25.5488","0.0007","19.2173","0.0005","90","","104.313","0.001","90","","4662","0.2","260","2","260","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","ABN.2DMABN","","","- C25 H26 N6 -","- C25 H26 N6 -","- C200 H208 N48 -","8","2","","Alimi, Lukman O.; Lama, Prem; Smith, Vincent J.; Barbour, Leonard J.","Large volumetric thermal expansion of a novel organic cocrystal over a wide temperature range","CrystEngComm","2018","20","5","631","","10.1039/C7CE01848G","","","0.71073","MoKα","","0.1578","0.0683","","","0.1839","0.2543","","","","","","1.066","","","","has coordinates","228957","2020-10-21","18:00:00",""
"7229916","9.777","0.0003","25.3964","0.001","19.1058","0.0007","90","","104.272","0.001","90","","4597.6","0.3","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","ABN.2DMABN","","","- C25 H26 N6 -","- C25 H26 N6 -","- C200 H208 N48 -","8","2","","Alimi, Lukman O.; Lama, Prem; Smith, Vincent J.; Barbour, Leonard J.","Large volumetric thermal expansion of a novel organic cocrystal over a wide temperature range","CrystEngComm","2018","20","5","631","","10.1039/C7CE01848G","","","0.71073","MoKα","","0.1337","0.0613","","","0.149","0.2041","","","","","","1.051","","","","has coordinates","228957","2020-10-21","18:00:00",""
"7229917","9.7754","0.0003","25.3489","0.0008","19.0721","0.0006","90","","104.284","0.001","90","","4579.9","0.2","180","2","180","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","ABN.2DMABN","","","- C25 H26 N6 -","- C25 H26 N6 -","- C200 H208 N48 -","8","2","","Alimi, Lukman O.; Lama, Prem; Smith, Vincent J.; Barbour, Leonard J.","Large volumetric thermal expansion of a novel organic cocrystal over a wide temperature range","CrystEngComm","2018","20","5","631","","10.1039/C7CE01848G","","","0.71073","MoKα","","0.1472","0.0898","","","0.2265","0.3061","","","","","","1.026","","","","has coordinates","228957","2020-10-21","18:00:00",""
"7229918","9.7836","0.0002","25.4438","0.0008","19.1399","0.0006","90","","104.278","0.001","90","","4617.4","0.2","220","2","220","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","ABN.2DMABN","","","- C25 H26 N6 -","- C25 H26 N6 -","- C200 H208 N48 -","8","2","","Alimi, Lukman O.; Lama, Prem; Smith, Vincent J.; Barbour, Leonard J.","Large volumetric thermal expansion of a novel organic cocrystal over a wide temperature range","CrystEngComm","2018","20","5","631","","10.1039/C7CE01848G","","","0.71073","MoKα","","0.1359","0.0639","","","0.1606","0.2171","","","","","","1.046","","","","has coordinates","228957","2020-10-21","18:00:00",""
"7229919","9.8177","0.001","25.66","0.003","19.305","0.002","90","","104.384","0.004","90","","4710.9","0.9","300","2","300","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","ABN.2DMABN","","","- C25 H26 N6 -","- C25 H26 N6 -","- C200 H208 N48 -","8","2","","Alimi, Lukman O.; Lama, Prem; Smith, Vincent J.; Barbour, Leonard J.","Large volumetric thermal expansion of a novel organic cocrystal over a wide temperature range","CrystEngComm","2018","20","5","631","","10.1039/C7CE01848G","","","0.71073","MoKα","","0.1592","0.0727","","","0.2049","0.2735","","","","","","1.035","","","","has coordinates","228957","2020-10-21","18:00:00",""
"7229920","9.7661","0.0003","25.2392","0.0008","19.0103","0.0006","90","","104.274","0.001","90","","4541.2","0.2","140","2","140","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","ABN.2DMABN","","","- C25 H26 N6 -","- C25 H26 N6 -","- C200 H208 N48 -","8","2","","Alimi, Lukman O.; Lama, Prem; Smith, Vincent J.; Barbour, Leonard J.","Large volumetric thermal expansion of a novel organic cocrystal over a wide temperature range","CrystEngComm","2018","20","5","631","","10.1039/C7CE01848G","","","0.71073","MoKα","","0.1366","0.0888","","","0.2262","0.2896","","","","","","1.037","","","","has coordinates","228957","2020-10-21","18:00:00",""
"7229921","9.7654","0.0004","25.1269","0.0011","18.9626","0.0008","90","","104.199","0.001","90","","4510.8","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","ABN.2DMABN","","","- C25 H26 N6 -","- C25 H26 N6 -","- C200 H208 N48 -","8","2","","Alimi, Lukman O.; Lama, Prem; Smith, Vincent J.; Barbour, Leonard J.","Large volumetric thermal expansion of a novel organic cocrystal over a wide temperature range","CrystEngComm","2018","20","5","631","","10.1039/C7CE01848G","","","0.71073","MoKα","","0.1321","0.0886","","","0.2249","0.2833","","","","","","1.033","","","","has coordinates","228957","2020-10-21","18:00:00",""
"7229922","9.7703","0.0003","25.2982","0.0008","19.0409","0.0006","90","","104.279","0.001","90","","4561","0.2","160","2","160","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","ABN.2DMABN","","","- C25 H26 N6 -","- C25 H26 N6 -","- C200 H208 N48 -","8","2","","Alimi, Lukman O.; Lama, Prem; Smith, Vincent J.; Barbour, Leonard J.","Large volumetric thermal expansion of a novel organic cocrystal over a wide temperature range","CrystEngComm","2018","20","5","631","","10.1039/C7CE01848G","","","0.71073","MoKα","","0.1425","0.0896","","","0.2229","0.2952","","","","","","1.02","","","","has coordinates","228957","2020-10-21","18:00:00",""
"7229927","8.723","0.0015","14.244","0.002","16.507","0.003","90","","100.782","0.003","90","","2014.8","0.6","193","1","193","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 Br4 Hg2 N4 O -","- C13 H12 Br4 Hg2 N4 O -","- C52 H48 Br16 Hg8 N16 O4 -","4","1","","Mahmoudi, Ghodrat; Zaręba, Jan K.; Bauzá, Antonio; Kubicki, Maciej; Bartyzel, Agata; Keramidas, Anastasios D.; Butusov, Leonid; Mirosław, Barbara; Frontera, Antonio","Recurrent supramolecular motifs in discrete complexes and coordination polymers based on mercury halides: prevalence of chelate ring stacking and substituent effects","CrystEngComm","2018","20","8","1065","","10.1039/C7CE02166F","","","0.71073","MoKα","","0.0447","0.0323","","","0.0734","0.0776","","","","","","1.023","","","","has coordinates","228937","2020-10-21","18:00:00",""
"7229928","9.4971","0.001","19.796","0.002","9.2661","0.001","90","","96.913","0.01","90","","1729.4","0.3","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 Hg I2 N4 O -","- C13 H12 Hg I2 N4 O -","- C52 H48 Hg4 I8 N16 O4 -","4","1","","Mahmoudi, Ghodrat; Zaręba, Jan K.; Bauzá, Antonio; Kubicki, Maciej; Bartyzel, Agata; Keramidas, Anastasios D.; Butusov, Leonid; Mirosław, Barbara; Frontera, Antonio","Recurrent supramolecular motifs in discrete complexes and coordination polymers based on mercury halides: prevalence of chelate ring stacking and substituent effects","CrystEngComm","2018","20","8","1065","","10.1039/C7CE02166F","","","0.71069","MoKα","","0.0352","0.0254","","","0.0753","0.0779","","","","","","1.055","","","","has coordinates","228937","2020-10-21","18:00:00",""
"7229929","10.8009","0.001","15.013","0.0013","11.3474","0.001","90","","108.659","0.002","90","","1743.3","0.3","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 Br Hg N4 O -","- C18 H13 Br Hg N4 O -","- C72 H52 Br4 Hg4 N16 O4 -","4","1","","Mahmoudi, Ghodrat; Zaręba, Jan K.; Bauzá, Antonio; Kubicki, Maciej; Bartyzel, Agata; Keramidas, Anastasios D.; Butusov, Leonid; Mirosław, Barbara; Frontera, Antonio","Recurrent supramolecular motifs in discrete complexes and coordination polymers based on mercury halides: prevalence of chelate ring stacking and substituent effects","CrystEngComm","2018","20","8","1065","","10.1039/C7CE02166F","","","0.71073","MoKα","","0.0876","0.0758","","","0.2154","0.2184","","","","","","1.974","","","","has coordinates","228937","2020-10-21","18:00:00",""
"7229930","10.7093","0.001","15.1214","0.0014","11.4424","0.0011","90","","110.275","0.001","90","","1738.2","0.3","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 Hg I N4 O -","- C18 H13 Hg I N4 O -","- C72 H52 Hg4 I4 N16 O4 -","4","1","","Mahmoudi, Ghodrat; Zaręba, Jan K.; Bauzá, Antonio; Kubicki, Maciej; Bartyzel, Agata; Keramidas, Anastasios D.; Butusov, Leonid; Mirosław, Barbara; Frontera, Antonio","Recurrent supramolecular motifs in discrete complexes and coordination polymers based on mercury halides: prevalence of chelate ring stacking and substituent effects","CrystEngComm","2018","20","8","1065","","10.1039/C7CE02166F","","","0.71073","MoKα","","0.0491","0.0365","","","0.0749","0.0799","","","","","","1.026","","","","has coordinates","228937","2020-10-21","18:00:00",""
"7229931","9.9325","0.0018","10.233","0.002","12.755","0.003","91.65","0.02","110.98","0.02","106.46","0.02","1148.5","0.5","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H18 Hg I2 N4 O2 -","- C19 H18 Hg I2 N4 O2 -","- C38 H36 Hg2 I4 N8 O4 -","2","1","","Mahmoudi, Ghodrat; Zaręba, Jan K.; Bauzá, Antonio; Kubicki, Maciej; Bartyzel, Agata; Keramidas, Anastasios D.; Butusov, Leonid; Mirosław, Barbara; Frontera, Antonio","Recurrent supramolecular motifs in discrete complexes and coordination polymers based on mercury halides: prevalence of chelate ring stacking and substituent effects","CrystEngComm","2018","20","8","1065","","10.1039/C7CE02166F","","","0.71073","MoKα","","0.1182","0.0622","","","0.1458","0.1577","","","","","","0.825","","","","has coordinates,has disorder","228937","2020-10-21","18:00:00",""
"7229939","11.71759","0.00015","11.71759","0.00015","9.48728","0.00013","90","","90","","120","","1128.1","0.03","100","0.1","100","0.1","","","","","","","","4","P 32","P 32","145","11-Azaart","11-azaartemisinin","","- C15 H23 N O4 -","- C15 H23 N O4 -","- C45 H69 N3 O12 -","3","1","","Nisar, Madiha; Sung, Herman H.-Y.; Puschmann, Horst; Lakerveld, Richard; Haynes, Richard K.; Williams, Ian D.","11-Azaartemisinin cocrystals with preserved lactam : acid heterosynthons","CrystEngComm","2018","20","9","1205","","10.1039/C7CE01875D","","x-ray","1.54184","CuKα","","0.0243","0.0238","","","0.0579","0.0582","","","","","","1.016","","","","has coordinates","229075","2020-10-21","18:00:00",""
"7229940","9.64312","0.00019","9.3622","0.0002","22.8165","0.0004","90","","90.9437","0.0018","90","","2059.61","0.07","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","11-Aza:Ben","","","- C22 H29 N O6 -","- C22 H29 N O6 -","- C88 H116 N4 O24 -","4","2","","Nisar, Madiha; Sung, Herman H.-Y.; Puschmann, Horst; Lakerveld, Richard; Haynes, Richard K.; Williams, Ian D.","11-Azaartemisinin cocrystals with preserved lactam : acid heterosynthons","CrystEngComm","2018","20","9","1205","","10.1039/C7CE01875D","","x-ray","1.54184","CuKα","","0.0403","0.0348","","","0.0785","0.0818","","","","","","1.004","","","","has coordinates","229075","2020-10-21","18:00:00",""
"7229941","9.79451","0.00014","9.30687","0.00013","11.51291","0.00016","90","","92.307","0.0012","90","","1048.62","0.03","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","11-Aza:Sal","","","- C22 H29 N O7 -","- C22 H29 N O7 -","- C44 H58 N2 O14 -","2","1","","Nisar, Madiha; Sung, Herman H.-Y.; Puschmann, Horst; Lakerveld, Richard; Haynes, Richard K.; Williams, Ian D.","11-Azaartemisinin cocrystals with preserved lactam : acid heterosynthons","CrystEngComm","2018","20","9","1205","","10.1039/C7CE01875D","","x-ray","1.54184","CuKα","","0.028","0.0273","","","0.0674","0.068","","","","","","1.004","","","","has coordinates","229075","2020-10-21","18:00:00",""
"7229942","17.9674","0.0007","10.3025","0.0004","9.3723","0.0007","90","","90","","90","","1734.9","0.16","100","0.1","100","0.1","","","","","","","","4","P 21 21 2","P 2 2ab","18","11-Aza:Succ","","","- C34 H52 N2 O12 -","- C34 H52 N2 O12 -","- C68 H104 N4 O24 -","2","0.5","","Nisar, Madiha; Sung, Herman H.-Y.; Puschmann, Horst; Lakerveld, Richard; Haynes, Richard K.; Williams, Ian D.","11-Azaartemisinin cocrystals with preserved lactam : acid heterosynthons","CrystEngComm","2018","20","9","1205","","10.1039/C7CE01875D","","x-ray","1.54184","CuKα","","0.0519","0.0455","","","0.1131","0.1171","","","","","","1.001","","","","has coordinates","229075","2020-10-21","18:00:00",""
"7229943","10.00907","0.0001","10.09992","0.0001","20.9254","0.0002","90","","90","","90","","2115.37","0.04","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","11-Aza:D-Man","","","- C23 H31 N O7 -","- C23 H31 N O7 -","- C92 H124 N4 O28 -","4","1","","Nisar, Madiha; Sung, Herman H.-Y.; Puschmann, Horst; Lakerveld, Richard; Haynes, Richard K.; Williams, Ian D.","11-Azaartemisinin cocrystals with preserved lactam : acid heterosynthons","CrystEngComm","2018","20","9","1205","","10.1039/C7CE01875D","","x-ray","1.54184","CuKα","","0.0231","0.0227","","","0.0573","0.0576","","","","","","1","","","","has coordinates","229075","2020-10-21","18:00:00",""
"7229944","17.7811","0.0003","10.3174","0.0002","9.49693","0.00015","90","","90","","90","","1742.26","0.05","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 2","P 2 2ab","18","11-Aza:L-Mal","","","- C34 H52 N2 O13 -","- C34 H52 N2 O13 -","- C68 H104 N4 O26 -","2","0.5","","Nisar, Madiha; Sung, Herman H.-Y.; Puschmann, Horst; Lakerveld, Richard; Haynes, Richard K.; Williams, Ian D.","11-Azaartemisinin cocrystals with preserved lactam : acid heterosynthons","CrystEngComm","2018","20","9","1205","","10.1039/C7CE01875D","","x-ray","1.54184","CuKα","","0.0268","0.0258","","","0.0743","0.0752","","","","","","1.002","","","","has coordinates,has disorder","229075","2020-10-21","18:00:00",""
"7229945","17.5836","0.0007","10.3594","0.0004","9.9524","0.0003","90","","90","","90","","1812.88","0.11","99.99","0.1","99.99","0.1","","","","","","","","4","P 21 21 2","P 2 2ab","18","11-Aza:Pim","","","- C37 H58 N2 O12 -","- C37 H58 N2 O12 -","- C74 H116 N4 O24 -","2","0.5","","Nisar, Madiha; Sung, Herman H.-Y.; Puschmann, Horst; Lakerveld, Richard; Haynes, Richard K.; Williams, Ian D.","11-Azaartemisinin cocrystals with preserved lactam : acid heterosynthons","CrystEngComm","2018","20","9","1205","","10.1039/C7CE01875D","","x-ray","1.54184","CuKα","","0.0342","0.0312","","","0.0715","0.0729","","","","","","1.027","","","","has coordinates,has disorder","229075","2020-10-21","18:00:00",""
"7229946","10.43733","0.00012","18.04445","0.00019","18.6345","0.0002","90","","90","","90","","3509.54","0.07","99.97","0.1","99.97","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","11-Aza:D-Mal","","","- C34 H52 N2 O13 -","- C34 H52 N2 O13 -","- C136 H208 N8 O52 -","4","1","","Nisar, Madiha; Sung, Herman H.-Y.; Puschmann, Horst; Lakerveld, Richard; Haynes, Richard K.; Williams, Ian D.","11-Azaartemisinin cocrystals with preserved lactam : acid heterosynthons","CrystEngComm","2018","20","9","1205","","10.1039/C7CE01875D","","x-ray","1.54184","CuKα","","0.0298","0.0284","","","0.0715","0.0725","","","","","","1.001","","","","has coordinates,has disorder","229075","2020-10-21","18:00:00",""
"7229947","15.8663","0.0005","9.3487","0.0003","18.1863","0.0006","90","","116.073","0.001","90","","2423.04","0.14","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Cr Gd N8 O7 -","- C16 H20 Cr Gd N8 O7 -","- C64 H80 Cr4 Gd4 N32 O28 -","4","0.5","","Chorazy, Szymon; Rams, Michał; Wyczesany, Maciej; Nakabayashi, Koji; Ohkoshi, Shin-ichi; Sieklucka, Barbara","Antiferromagnetic exchange and long-range magnetic ordering in supramolecular networks constructed of hexacyanido-bridged LnIII(3-pyridone)‒CrIII (Ln = Gd, Tb) chains","CrystEngComm","2018","20","9","1271","","10.1039/C7CE02077E","","x-ray","0.71075","MoKα","","0.0232","0.0194","","","0.0484","0.092","","","","","","1.388","","","","has coordinates","229077","2020-10-21","18:00:00",""
"7229948","15.8439","0.0018","9.3305","0.0011","18.178","0.002","90","","116.069","0.003","90","","2413.9","0.5","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Cr N8 O7 Tb -","- C16 H20 Cr N8 O7 Tb -","- C64 H80 Cr4 N32 O28 Tb4 -","4","0.5","","Chorazy, Szymon; Rams, Michał; Wyczesany, Maciej; Nakabayashi, Koji; Ohkoshi, Shin-ichi; Sieklucka, Barbara","Antiferromagnetic exchange and long-range magnetic ordering in supramolecular networks constructed of hexacyanido-bridged LnIII(3-pyridone)‒CrIII (Ln = Gd, Tb) chains","CrystEngComm","2018","20","9","1271","","10.1039/C7CE02077E","","x-ray","0.71075","MoKα","","0.0771","0.0504","","","0.1","0.1496","","","","","","1.301","","","","has coordinates","229077","2020-10-21","18:00:00",""
"7229950","5.224","0.003","6.014","0.004","36.61","0.02","87.3","0.014","87.39","0.013","81.545","0.014","1135.5","1.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H12 N2 O2 S -","- C11 H12 N2 O2 S -","- C44 H48 N8 O8 S4 -","4","2","","Chen, Xin; Li, Duanxiu; Luo, Chun; Wang, Jinqiu; Deng, Zongwu; Zhang, Hailu","Cocrystals of zileuton with enhanced physical stability","CrystEngComm","2018","20","7","990","","10.1039/C7CE02150J","","","0.71073","MoKα","","0.0939","0.0654","","","0.1331","0.1426","","","","","","1.067","","","","has coordinates","229073","2020-10-21","18:00:00",""
"7229951","20.997","0.003","6.1061","0.0009","9.6195","0.0014","90","","95.637","0.005","90","","1227.3","0.3","296","2","296","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C11 H14 N2 O3 S -","- C11 H14 N2 O3 S -","- C44 H56 N8 O12 S4 -","4","2","","Chen, Xin; Li, Duanxiu; Luo, Chun; Wang, Jinqiu; Deng, Zongwu; Zhang, Hailu","Cocrystals of zileuton with enhanced physical stability","CrystEngComm","2018","20","7","990","","10.1039/C7CE02150J","","","0.71073","MoKα","","0.1118","0.099","","","0.2565","0.2685","","","","","","1.11","","","","has coordinates,has disorder","229073","2020-10-21","18:00:00",""
"7229952","10.2301","0.0019","10.609","0.002","17.283","0.003","75.429","0.015","74.117","0.015","79.223","0.016","1732","0.6","213.5","0.1","213.5","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C17 H18 N4 O3 S -","- C17 H18 N4 O3 S -","- C68 H72 N16 O12 S4 -","4","2","","Chen, Xin; Li, Duanxiu; Luo, Chun; Wang, Jinqiu; Deng, Zongwu; Zhang, Hailu","Cocrystals of zileuton with enhanced physical stability","CrystEngComm","2018","20","7","990","","10.1039/C7CE02150J","","x-ray","1.54184","CuKα","","0.1749","0.0802","","","0.1333","0.1934","","","","","","1.053","","","","has coordinates","229073","2020-10-21","18:00:00",""
"7229953","5.1859","0.0007","43.799","0.005","10.7366","0.0015","90","","104.691","0.012","90","","2359","0.5","213","","213","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 N6 O4 S -","- C23 H24 N6 O4 S -","- C92 H96 N24 O16 S4 -","4","1","","Chen, Xin; Li, Duanxiu; Luo, Chun; Wang, Jinqiu; Deng, Zongwu; Zhang, Hailu","Cocrystals of zileuton with enhanced physical stability","CrystEngComm","2018","20","7","990","","10.1039/C7CE02150J","","","0.71073","MoKα","","0.1654","0.0882","","","0.2056","0.2634","","","","","","1.056","","","","has coordinates","229073","2020-10-21","18:00:00",""
"7229954","19.0093","0.0009","19.6552","0.0009","19.068","0.0006","90","","107.888","0.001","90","","6780","0.5","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H41 Mn N O7 S4 -","- C29 H39 Mn N O7 S4 -","- C232 H312 Mn8 N8 O56 S32 -","8","1","","Ovsyannikov, A. S.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: high dimensional coordination networks based on methylenecarboxylate-appended tetramercaptothiacalix[4]arene in the 1,3-alternate conformation","CrystEngComm","2018","20","8","1130","","10.1039/C7CE02105D","","","0.71073","MoKα","","0.1127","0.0634","","","0.1606","0.189","","","","","","1.028","","","","has coordinates","228940","2020-10-21","18:00:00",""
"7229955","18.6752","0.001","19.4783","0.001","19.3185","0.0009","90","","108.722","0.002","90","","6655.5","0.6","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H32 O6 S4 Zn -","- C26 H32 O6 S4 Zn -","- C208 H256 O48 S32 Zn8 -","8","1","","Ovsyannikov, A. S.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: high dimensional coordination networks based on methylenecarboxylate-appended tetramercaptothiacalix[4]arene in the 1,3-alternate conformation","CrystEngComm","2018","20","8","1130","","10.1039/C7CE02105D","","","0.71073","MoKα","","0.1191","0.0833","","","0.2075","0.2273","","","","","","1.114","","","","has coordinates","228940","2020-10-21","18:00:00",""
"7229956","24.4001","0.0012","45.643","0.003","19.8706","0.001","90","","122.247","0.002","90","","18716.4","1.8","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C81 H98 Co2 N6 O13 S8 -","- C81 H94 Co2 N6 O13 S8 -","- C648 H752 Co16 N48 O104 S64 -","8","1","","Ovsyannikov, A. S.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: high dimensional coordination networks based on methylenecarboxylate-appended tetramercaptothiacalix[4]arene in the 1,3-alternate conformation","CrystEngComm","2018","20","8","1130","","10.1039/C7CE02105D","","","0.71073","MoKα","","0.2334","0.1025","","","0.2683","0.2991","","","","","","1.021","","","","has coordinates","228940","2020-10-21","18:00:00",""
"7229957","24.5031","0.0008","45.605","0.002","19.9347","0.0009","90","","122.298","0.001","90","","18829.7","1.4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C80.75 H93.25 N6.25 Ni2 O11.5 S8 -","- C80.75 H93.25 N6.25 Ni2 O11.5 S8 -","- C646 H746 N50 Ni16 O92 S64 -","8","1","","Ovsyannikov, A. S.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: high dimensional coordination networks based on methylenecarboxylate-appended tetramercaptothiacalix[4]arene in the 1,3-alternate conformation","CrystEngComm","2018","20","8","1130","","10.1039/C7CE02105D","","","0.71073","MoKα","","0.2185","0.1203","","","0.2951","0.3364","","","","","","1.013","","","","has coordinates","228940","2020-10-21","18:00:00",""
"7229958","23.1233","0.0011","19.3037","0.001","21.8209","0.0012","90","","106.95","0.002","90","","9317","0.8","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C90 H100 Mn2 N8 O11 S8 -","- C90 H100 Mn2 N8 O11 S8 -","- C360 H400 Mn8 N32 O44 S32 -","4","0.5","","Ovsyannikov, A. S.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: high dimensional coordination networks based on methylenecarboxylate-appended tetramercaptothiacalix[4]arene in the 1,3-alternate conformation","CrystEngComm","2018","20","8","1130","","10.1039/C7CE02105D","","","0.71073","MoKα","","0.0838","0.0598","","","0.1586","0.1735","","","","","","1.165","","","","has coordinates","228940","2020-10-21","18:00:00",""
"7229959","15.6172","0.0011","25.956","0.002","22.5235","0.001","90","","92.578","0.002","90","","9120.9","1","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C76.25 H82.5 N5.5 O8.75 S8 Zn2 -","- C76.25 H82.5 N5.5 O8.75 S8 Zn2 -","- C305 H330 N22 O35 S32 Zn8 -","4","1","","Ovsyannikov, A. S.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: high dimensional coordination networks based on methylenecarboxylate-appended tetramercaptothiacalix[4]arene in the 1,3-alternate conformation","CrystEngComm","2018","20","8","1130","","10.1039/C7CE02105D","","","0.71073","MoKα","","0.1505","0.0815","","","0.2212","0.2472","","","","","","1.039","","","","has coordinates","228940","2020-10-21","18:00:00",""
"7229960","15.4566","0.0007","10.6707","0.0005","16.0942","0.0007","90","","115.744","0.002","90","","2390.99","0.19","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","e{N(CH2CH2)2N}2C60?3I2?CS2?C6H6","","- C72 H19 I4 N4 S2 -","- C72 H19 I4 N4 S2 -","- C144 H38 I8 N8 S4 -","2","0.5","","Aghabali, Amineh; Jun, Sharon; Olmstead, Marilyn M.; Balch, Alan L.","The directional character of the piperazine double addition product, e{N(CH2CH2)2N}2C60, as a building block for forming crystalline fullerene polymers","CrystEngComm","2018","20","7","924","","10.1039/C7CE02117H","","","0.7749","synchrotron","","0.0502","0.0369","","","0.0869","0.0927","","","","","","1.055","","","","has coordinates,has disorder","229072","2020-10-21","18:00:00",""
"7229961","15.8849","0.0008","18.9471","0.001","19.6812","0.0018","90","","90.063","0.002","90","","5923.5","0.7","90","2","90","2","","","","","","","","6","I 1 2/m 1","-I 2y","12","{(e(N2C4H8)2C60)(Rh2(O2CCH3)4)2}n 0.5CS2","","","- C80.5 H34 N4 O12 Rh3 S -","- C80.5 H34 N4 O12 Rh3 S -","- C322 H136 N16 O48 Rh12 S4 -","4","0.5","","Aghabali, Amineh; Jun, Sharon; Olmstead, Marilyn M.; Balch, Alan L.","The directional character of the piperazine double addition product, e{N(CH2CH2)2N}2C60, as a building block for forming crystalline fullerene polymers","CrystEngComm","2018","20","7","924","","10.1039/C7CE02117H","","","1.54178","CuKα","","0.0799","0.0762","","","0.2016","0.2055","","","","","","1.154","","","","has coordinates,has disorder","229072","2020-10-21","18:00:00",""
"7229962","7.339","0.005","14.815","0.005","11.777","0.005","90","","97.495","0.005","90","","1269.5","1.1","133","2","133","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","HL30a","","","- C13 H16 N2 O3 -","- C13 H16 N2 O3 -","- C52 H64 N8 O12 -","4","1","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71069","MoKα","","0.144","0.0757","","","0.1826","0.2103","","","","","","0.921","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229963","25.029","0.005","4.211","0.005","28.823","0.005","90","0.005","129.016","0.005","90","0.005","2360","3","133","2","133","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","HL30i","","","- C12 H14 N2 O3 -","- C12 H14 N2 O3 -","- C96 H112 N16 O24 -","8","1","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71069","MoKα","","0.0961","0.062","","","0.1646","0.2176","","","","","","1.038","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229964","12.3364","0.0008","13.4022","0.0011","8.6223","0.0005","90","","97.437","0.005","90","","1413.57","0.17","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[CuL30i(SCN)]2","","","- C26 H26 Cu2 N6 O6 S2 -","- C26 H26 Cu2 N6 O6 S2 -","- C52 H52 Cu4 N12 O12 S4 -","2","0.5","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71069","MoKα","","0.1126","0.0551","","","0.1208","0.1428","","","","","","0.857","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229965","6.028","0.0004","9.2207","0.0006","11.3737","0.0007","74.653","0.005","75.243","0.005","87.728","0.005","589.26","0.07","133","2","133","2","","","","","","","","4","P -1","-P 1","2","HL30d","","","- C12 H13 N3 O2 -","- C12 H13 N3 O2 -","- C24 H26 N6 O4 -","2","1","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71073","MoKα","","0.056","0.0421","","","0.1119","0.1172","","","","","","1.029","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229966","7.3859","0.0005","9.1298","0.0007","10.3252","0.0007","94.11","0.006","96.016","0.006","105.895","0.006","662.26","0.08","133","2","133","2","","","","","","","","6","P -1","-P 1","2","[CuL30aCl]","","","- C26 H30 Cl2 Cu2 N4 O6 -","- C26 H30 Cl2 Cu2 N4 O6 -","- C26 H30 Cl2 Cu2 N4 O6 -","1","0.5","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71069","MoKα","","0.0701","0.0609","","","0.1635","0.1742","","","","","","1.069","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229967","7.5941","0.0005","9.0685","0.0006","10.0399","0.0006","90.393","0.005","96.377","0.005","110.15","0.005","644.33","0.07","133","2","133","2","","","","","","","","6","P -1","-P 1","2","[CuL30iCl]","","","- C24 H26 Cl2 Cu2 N4 O6 -","- C24 H26 Cl2 Cu2 N4 O6 -","- C24 H26 Cl2 Cu2 N4 O6 -","1","0.5","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71069","MoKα","","0.0606","0.047","","","0.1161","0.1218","","","","","","0.942","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229968","7.6352","0.0005","9.0924","0.0006","9.5031","0.0006","91.652","0.005","98.15","0.005","107.858","0.005","619.77","0.07","133","2","133","2","","","","","","","","6","P -1","-P 1","2","[CuL30bCl]","","","- C24 H26 Cl2 Cu2 N4 O4 -","- C24 H26 Cl2 Cu2 N4 O4 -","- C24 H26 Cl2 Cu2 N4 O4 -","1","0.5","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71073","MoKα","","0.0563","0.0454","","","0.1123","0.1175","","","","","","0.962","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229969","10.9871","0.0005","20.1512","0.0012","13.951","0.0006","90","","94.232","0.003","90","","3080.4","0.3","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[CuL30cCl]","","","- C14 H17 Cl Cu N2 O4 -","- C14 H17 Cl Cu N2 O4 -","- C112 H136 Cl8 Cu8 N16 O32 -","8","2","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71073","MoKα","","0.1126","0.0711","","","0.1847","0.2785","","","","","","0.956","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229970","8.7846","0.0004","18.8515","0.0006","9.028","0.0004","90","","99.363","0.003","90","","1475.14","0.11","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[CuL30bNO3]","","","- C12 H17 Cu N3 O7 -","- C12 H17 Cu N3 O7 -","- C48 H68 Cu4 N12 O28 -","4","1","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71073","MoKα","","0.0311","0.025","","","0.0639","0.0663","","","","","","1.03","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229971","9.0597","0.0006","14.5372","0.0007","11.8354","0.0008","90","","95.232","0.005","90","","1552.26","0.17","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[CuL30dNO3]","","","- C12 H16 Cu N4 O7 -","- C12 H16 Cu N4 O7 -","- C48 H64 Cu4 N16 O28 -","4","1","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71073","MoKα","","0.041","0.0274","","","0.0578","0.0605","","","","","","0.906","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229972","12.9059","0.0007","18.9389","0.0013","7.6909","0.0004","90","","115.017","0.004","90","","1703.48","0.18","133","2","133","2","","","","","","","","6","C 1 c 1","C -2yc","9","[CuL30fCl]","","","- C18 H17 Cl Cu N2 O3 -","- C18 H17 Cl Cu N2 O3 -","- C72 H68 Cl4 Cu4 N8 O12 -","4","1","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71073","MoKα","","0.026","0.024","","","0.0544","0.0552","","","","","","1.034","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229973","12.76","0.0018","16.897","0.003","13.781","0.002","90","","102.639","0.011","90","","2899.3","0.8","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[CuL30b]2SO4","","","- C26 H34 Cu2 N4 O10 S -","- C26 H34 Cu2 N4 O10 S -","- C104 H136 Cu8 N16 O40 S4 -","4","1","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71073","MoKα","","0.0742","0.0468","","","0.103","0.1117","","","","","","0.909","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229974","20.5772","0.0011","19.5249","0.0015","7.1596","0.0004","90","","94.083","0.004","90","","2869.2","0.3","133","2","133","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[CuL30aN3]","","","- C13 H15 Cu N5 O3 -","- C13 H15 Cu N5 O3 -","- C104 H120 Cu8 N40 O24 -","8","1","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71073","MoKα","","0.0407","0.0271","","","0.0577","0.0609","","","","","","0.937","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229975","10.2653","0.0004","8.8823","0.0004","20.2634","0.0009","90","","97.713","0.003","90","","1830.89","0.14","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[CuL30fNO3]","","","- C36 H34 Cu2 N6 O12 -","- C36 H34 Cu2 N6 O12 -","- C72 H68 Cu4 N12 O24 -","2","0.5","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71073","MoKα","","0.0487","0.0314","","","0.0687","0.0726","","","","","","0.913","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229976","7.5927","0.0005","23.9283","0.0012","8.5927","0.0005","90","","93.078","0.005","90","","1558.87","0.16","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[CuL30aOAc]","","","- C30 H36 Cu2 N4 O10 -","- C30 H36 Cu2 N4 O10 -","- C60 H72 Cu4 N8 O20 -","2","0.5","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71069","MoKα","","0.0483","0.0307","","","0.0618","0.0652","","","","","","0.909","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229977","9.8474","0.0005","15.5449","0.0006","10.2348","0.0006","90","","92.59","0.004","90","","1565.11","0.14","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[CuL30bSCN]","","","- C14 H17 Cu N3 O3 S -","- C14 H17 Cu N3 O3 S -","- C56 H68 Cu4 N12 O12 S4 -","4","1","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71073","MoKα","","0.0746","0.0659","","","0.1957","0.2042","","","","","","1.067","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229978","6.8193","0.0004","11.6812","0.0006","28.7206","0.0016","90","","95.047","0.004","90","","2278.9","0.2","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[CuL30dOAc]","","","- C14 H29 Cu N3 O11 -","- C14 H15 Cu N3 O11 -","- C56 H60 Cu4 N12 O44 -","4","1","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71073","MoKα","","0.0824","0.0567","","","0.1517","0.1665","","","","","","0.999","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229979","8.866","0.0006","8.8511","0.0006","12.762","0.0008","94.241","0.005","104.942","0.005","108.277","0.005","905.63","0.11","133","2","133","2","","","","","","","","5","P -1","-P 1","2","[CuL30cOAc]","","","- C32 H44 Cu2 N4 O14 -","- C32 H44 Cu2 N4 O14 -","- C32 H44 Cu2 N4 O14 -","1","0.5","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71073","MoKα","","0.0397","0.0309","","","0.0867","0.104","","","","","","1.14","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229980","10.3415","0.0007","9.206","0.0004","19.3186","0.0014","90","","98.818","0.005","90","","1817.5","0.2","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[CuL30fI]","","","- C36 H34 Cu2 I2 N4 O6 -","- C36 H34 Cu2 I2 N4 O6 -","- C72 H68 Cu4 I4 N8 O12 -","2","0.5","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71073","MoKα","","0.1413","0.127","","","0.3393","0.3631","","","","","","1.372","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229981","12.7796","0.0005","13.8977","0.0008","16.9969","0.0006","90","","105.798","0.003","90","","2904.7","0.2","133","2","133","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[CuL30aNO3]","","","- C26 H30 Cu2 N6 O12 -","- C26 H30 Cu2 N6 O12 -","- C104 H120 Cu8 N24 O48 -","4","0.5","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71073","MoKα","","0.0335","0.0251","","","0.067","0.0766","","","","","","1.076","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229982","5.9027","0.0005","16.4411","0.0012","15.7542","0.0013","90","","98.344","0.006","90","","1512.7","0.2","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[CuL30aSCN]","","","- C14 H15 Cu N3 O3 S -","- C14 H15 Cu N3 O3 S -","- C56 H60 Cu4 N12 O12 S4 -","4","1","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71073","MoKα","","0.0517","0.0313","","","0.059","0.0632","","","","","","0.894","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229983","7.8179","0.0003","14.6683","0.0006","13.0905","0.0004","90","","92.391","0.003","90","","1499.85","0.1","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[CuL30aI]","","","- C13 H15 Cu I N2 O3 -","- C13 H15 Cu I N2 O3 -","- C52 H60 Cu4 I4 N8 O12 -","4","1","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71073","MoKα","","0.0273","0.0205","","","0.0458","0.0468","","","","","","0.936","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229984","8.7017","0.0004","18.0339","0.0011","21.7086","0.0012","90","","90","","90","","3406.6","0.3","133","2","133","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","[CuL30iOAc]","","","- C28 H40 Cu2 N4 O14 -","- C28 H40 Cu2 N4 O14 -","- C112 H160 Cu8 N16 O56 -","4","0.5","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71073","MoKα","","0.0985","0.0343","","","0.0531","0.0624","","","","","","0.728","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229985","7.3993","0.0004","9.3862","0.0005","10.6959","0.0005","105.369","0.004","99.166","0.004","97.86","0.004","694.52","0.07","133","2","133","2","","","","","","","","5","P -1","-P 1","2","[CuL30bN3]","","","- C24 H30 Cu2 N10 O6 -","- C24 H26 Cu2 N10 O6 -","- C24 H26 Cu2 N10 O6 -","1","0.5","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71073","MoKα","","0.0294","0.0256","","","0.0672","0.0686","","","","","","1.084","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229986","5.5863","0.0005","11.6567","0.0011","13.2094","0.0012","71.808","0.007","79.534","0.007","77.545","0.007","791.86","0.13","133","2","133","2","","","","","","","","4","P -1","-P 1","2","HL30f","","","- C18 H18 N2 O3 -","- C18 H18 N2 O3 -","- C36 H36 N4 O6 -","2","1","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71069","MoKα","","0.0841","0.0512","","","0.1255","0.1397","","","","","","0.965","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229987","6.7842","0.0006","15.8946","0.0015","15.9754","0.0018","93.458","0.009","96.606","0.008","97.754","0.008","1690.5","0.3","133","2","133","2","","","","","","","","6","P -1","-P 1","2","[CuL30c]2SO4","","","- C29 H40 Cu2 N4 O14 S -","- C29 H38 Cu2 N4 O14 S -","- C58 H76 Cu4 N8 O28 S2 -","2","1","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71073","MoKα","","0.1789","0.1353","","","0.3285","0.3733","","","","","","1.137","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229993","5.7343","0.0006","6.799","0.0007","6.9949","0.0007","90","","104.961","0.001","90","","263.47","0.05","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","L-malic acid","","- C4 H6 O5 -","- C4 H6 O5 -","- C8 H12 O10 -","2","1","","Yang, Jingxiang; Hu, Chunhua T.; Shtukenberg, Alexander G.; Yin, Qiuxiang; Kahr, Bart","l-Malic acid crystallization: polymorphism, semi-spherulites, twisting, and polarity","CrystEngComm","2018","20","10","1383","","10.1039/C7CE02107K","","","0.71073","MoKα","","0.0304","0.0294","","","0.0791","0.0798","","","","","","1.05","","","","has coordinates","228893","2020-10-21","18:00:00",""
"7229994","7.0637","0.0004","15.147","0.0008","15.4381","0.0008","69.624","0.001","81.819","0.001","86.324","0.001","1532.48","0.14","100","","100","","","","","","","","","5","P -1","-P 1","2","Theophylline:4chloro3nitrobenzoic acid","","","- C14 H12 Cl N5 O6 -","- C14 H12 Cl N5 O6 -","- C56 H48 Cl4 N20 O24 -","4","2","","Kakkar, Shubhangi; Bhattacharya, Biswajit; Reddy, C. Malla; Ghosh, Soumyajit","Tuning mechanical behaviour by controlling the structure of a series of theophylline co-crystals","CrystEngComm","2018","20","8","1101","","10.1039/C7CE01915G","","","0.71073","MoKα","","0.0384","0.0328","","","0.0866","0.0899","","","","","","1.053","","","","has coordinates","228941","2020-10-21","18:00:00",""
"7229995","10.191","0.003","10.459","0.003","12.777","0.003","98.98","0.005","108.898","0.005","108.434","0.005","1170.6","0.6","296","","296","","","","","","","","","5","P -1","-P 1","2","Theophylline:3,4 dichlorobenzoic acid","","","- C21 H16 Cl4 N4 O6 -","- C21 H16 Cl4 N4 O6 -","- C42 H32 Cl8 N8 O12 -","2","1","","Kakkar, Shubhangi; Bhattacharya, Biswajit; Reddy, C. Malla; Ghosh, Soumyajit","Tuning mechanical behaviour by controlling the structure of a series of theophylline co-crystals","CrystEngComm","2018","20","8","1101","","10.1039/C7CE01915G","","","0.71073","MoKα","","0.0908","0.0442","","","0.1041","0.134","","","","","","1.013","","","","has coordinates","228941","2020-10-21","18:00:00",""
"7229996","42.668","0.006","4.9516","0.0008","16.838","0.003","90","","106.575","0.006","90","","3409.6","1","296","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Theophylline:acetazolamide","","","- C11 H14 N8 O5 S2 -","- C11 H14 N8 O5 S2 -","- C88 H112 N64 O40 S16 -","8","1","","Kakkar, Shubhangi; Bhattacharya, Biswajit; Reddy, C. Malla; Ghosh, Soumyajit","Tuning mechanical behaviour by controlling the structure of a series of theophylline co-crystals","CrystEngComm","2018","20","8","1101","","10.1039/C7CE01915G","","","0.71073","MoKα","","0.0659","0.0403","","","0.1107","0.1371","","","","","","1.074","","","","has coordinates","228941","2020-10-21","18:00:00",""
"7229997","8.0218","0.0009","14.3076","0.0015","25.258","0.003","90","","90","","90","","2898.9","0.6","100","","100","","","","","","","","","4","P b c n","-P 2n 2ab","60","Theophylline:4hydroxy-benzamide","","","- C14 H15 N5 O4 -","- C14 H15 N5 O4 -","- C112 H120 N40 O32 -","8","1","","Kakkar, Shubhangi; Bhattacharya, Biswajit; Reddy, C. Malla; Ghosh, Soumyajit","Tuning mechanical behaviour by controlling the structure of a series of theophylline co-crystals","CrystEngComm","2018","20","8","1101","","10.1039/C7CE01915G","","","0.71073","MoKα","","0.0598","0.0425","","","0.0902","0.0991","","","","","","1.02","","","","has coordinates","228941","2020-10-21","18:00:00",""
"7229998","7.203","0.004","14.913","0.009","16.014","0.01","63.098","0.01","86.349","0.012","84.677","0.012","1527","1.6","296","","296","","","","","","","","","5","P -1","-P 1","2","Theophylline:4-fluoro-3-nitrobenzoic acid","","","- C14 H12 F N5 O6 -","- C14 H12 F N5 O6 -","- C56 H48 F4 N20 O24 -","4","2","","Kakkar, Shubhangi; Bhattacharya, Biswajit; Reddy, C. Malla; Ghosh, Soumyajit","Tuning mechanical behaviour by controlling the structure of a series of theophylline co-crystals","CrystEngComm","2018","20","8","1101","","10.1039/C7CE01915G","","","0.71073","MoKα","","0.2024","0.1225","","","0.2934","0.3556","","","","","","1.065","","","","has coordinates","228941","2020-10-21","18:00:00",""
"7229999","8.0597","0.0007","9.6051","0.0009","14.2402","0.0013","96.817","0.002","99.412","0.002","103.672","0.002","1042.4","0.16","100","","100","","","","","","","","","4","P -1","-P 1","2","Theophylline:picolinamide","","","- C20 H22 N10 O5 -","- C20 H22 N10 O5 -","- C40 H44 N20 O10 -","2","1","","Kakkar, Shubhangi; Bhattacharya, Biswajit; Reddy, C. Malla; Ghosh, Soumyajit","Tuning mechanical behaviour by controlling the structure of a series of theophylline co-crystals","CrystEngComm","2018","20","8","1101","","10.1039/C7CE01915G","","","0.71073","MoKα","","0.0419","0.0359","","","0.0897","0.0943","","","","","","1.038","","","","has coordinates","228941","2020-10-21","18:00:00",""
"7230001","6.9852","0.0002","17.8187","0.0006","8.5879","0.0002","90","","102.313","0.002","90","","1044.32","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H5 Cu5 I4 N10 -","- C6 H5 Cu5 I4 N10 -","- C12 H10 Cu10 I8 N20 -","2","1","","Liu, Juan; Tang, Yu-Huan; Wang, Fei; Zhang, Jian","Syntheses of copper‒iodine cluster-based frameworks for photocatalytic degradation of methylene blue","CrystEngComm","2018","20","9","1232","","10.1039/C7CE02192E","","","0.71073","MoKα","","0.0395","0.0372","","","0.0961","0.0982","","","","","","1.109","","","","has coordinates","229079","2020-10-21","18:00:00",""
"7230002","9.0012","0.0006","14.3269","0.001","12.5315","0.0007","90","","94.3","0.006","90","","1611.5","0.18","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H16 Cu6 I4 N20 -","- C12 H16 Cu6 I4 N20 -","- C24 H32 Cu12 I8 N40 -","2","1","","Liu, Juan; Tang, Yu-Huan; Wang, Fei; Zhang, Jian","Syntheses of copper‒iodine cluster-based frameworks for photocatalytic degradation of methylene blue","CrystEngComm","2018","20","9","1232","","10.1039/C7CE02192E","","","0.71073","MoKα","","0.0612","0.0529","","","0.1304","0.1364","","","","","","1.054","","","","has coordinates","229079","2020-10-21","18:00:00",""
"7230003","20.9377","0.0011","12.3747","0.0006","40.8557","0.0019","90","","100.209","0.006","90","","10418","0.9","170","2","170","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H54 Cl2 N18 Ni O18 -","- C42 H54 Cl2 N18 Ni O18 -","- C336 H432 Cl16 N144 Ni8 O144 -","8","2","","Tayade, Sakharam B.; Bhat, Satish S.; Illathvalappil, Rajith; Dhavale, Vishal M.; Kawade, Vitthal A.; Kumbhar, Avinash S.; Kurungot, Sreekumar; Näther, Christian","Water mediated proton conductance in a hydrogen-bonded Ni(ii)-bipyridine-glycoluril chloride self-assembled framework","CrystEngComm","2018","20","8","1094","","10.1039/C7CE01814B","","","0.71073","MoKα","","0.0571","0.0437","","","0.1194","0.1281","","","","","","1.016","","","","has coordinates","228935","2020-10-21","18:00:00",""
"7230030","11.438","0.002","19.463","0.004","13.64","0.003","90","","96.47","0.03","90","","3017.2","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 Eu N11 O15 -","- C24 H18 Eu N11 O15 -","- C96 H72 Eu4 N44 O60 -","4","0.5","","Zeng, Cheng-Hui; Wu, Haiming; Luo, Zhixun; Yao, Jiannian","Weak interactions cause selective cocrystal formation of lanthanide nitrates and tetra-2-pyridinylpyrazine","CrystEngComm","2018","20","8","1123","","10.1039/C7CE02098H","","","0.71073","MoKα","","0.0358","0.0348","","","0.0956","0.0963","","","","","","1.007","","","","has coordinates","228938","2020-10-21","18:00:00",""
"7230031","11.434","0.002","19.348","0.004","13.721","0.003","90","","96.62","0.03","90","","3015.2","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H16 N11 O15 Tb -","- C24 H16 N11 O15 Tb -","- C96 H64 N44 O60 Tb4 -","4","0.5","","Zeng, Cheng-Hui; Wu, Haiming; Luo, Zhixun; Yao, Jiannian","Weak interactions cause selective cocrystal formation of lanthanide nitrates and tetra-2-pyridinylpyrazine","CrystEngComm","2018","20","8","1123","","10.1039/C7CE02098H","","","0.71073","MoKα","","0.0437","0.043","","","0.1238","0.1245","","","","","","1.007","","","","has coordinates","228938","2020-10-21","18:00:00",""
"7230032","10.569","0.002","12.133","0.002","12.816","0.003","111.04","0.03","91.13","0.03","101.65","0.03","1494.6","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 N11 O15 Y -","- C24 H16 N11 O15 Y -","- C48 H32 N22 O30 Y2 -","2","1","","Zeng, Cheng-Hui; Wu, Haiming; Luo, Zhixun; Yao, Jiannian","Weak interactions cause selective cocrystal formation of lanthanide nitrates and tetra-2-pyridinylpyrazine","CrystEngComm","2018","20","8","1123","","10.1039/C7CE02098H","","","0.71073","MoKα","","0.0511","0.0454","","","0.1193","0.1232","","","","","","1.002","","","","has coordinates","228938","2020-10-21","18:00:00",""
"7230033","10.564","0.002","12.125","0.002","12.807","0.003","111.07","0.03","91.16","0.03","101.61","0.03","1491.7","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 Er N11 O15 -","- C24 H16 Er N11 O15 -","- C48 H32 Er2 N22 O30 -","2","1","","Zeng, Cheng-Hui; Wu, Haiming; Luo, Zhixun; Yao, Jiannian","Weak interactions cause selective cocrystal formation of lanthanide nitrates and tetra-2-pyridinylpyrazine","CrystEngComm","2018","20","8","1123","","10.1039/C7CE02098H","","","0.71073","MoKα","","0.0334","0.0303","","","0.0728","0.0746","","","","","","1.009","","","","has coordinates","228938","2020-10-21","18:00:00",""
"7230034","32.227","0.009","14.685","0.006","14.001","0.006","90","","90","","90","","6626","4","100","2","100","","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C8 H20 Cl5 In N2 O2 -","- C8 H20 Cl5 In N2 O2 -","- C128 H320 Cl80 In16 N32 O32 -","16","2","","Owczarek, Magdalena; Szklarz, Przemysław; Moskwa, Marcin; Jakubas, Ryszard","Morpholinium chloroindate(iii) complex: a rare acentric structural arrangement leading to piezoelectric properties","CrystEngComm","2018","20","6","703","","10.1039/C7CE01756A","","","0.71073","MoKα","","0.0216","0.0194","","","0.0426","0.043","","","","","","0.985","","","","has coordinates","229006","2020-10-21","18:00:00",""
"7230035","40.012","0.008","16.186","0.003","10.282","0.002","90","","93.64","0.03","90","","6646","2","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C53 H80 N22 O12 S5 -","- C53 H80 N22 O12 S5 -","- C212 H320 N88 O48 S20 -","4","0.5","","Fan, Qiangwen; Duan, Xiaowei; Yan, Hong","Solid state [2 + 2] photocycloaddition for constructing dimers of N,N′-diacyl-1,4-dihydropyrazines based on thiourea-induced assembly","CrystEngComm","2018","20","8","1151","","10.1039/C7CE01996C","","","0.71073","MoKα","","0.0635","0.0486","","","0.117","0.1265","","","","","","1.083","","","","has coordinates","228936","2020-10-21","18:00:00",""
"7230036","7.9117","0.0016","9.6617","0.0019","12.132","0.002","90","","94.67","0.03","90","","924.3","0.3","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 N4 O4 -","- C20 H28 N4 O4 -","- C40 H56 N8 O8 -","2","0.5","","Fan, Qiangwen; Duan, Xiaowei; Yan, Hong","Solid state [2 + 2] photocycloaddition for constructing dimers of N,N′-diacyl-1,4-dihydropyrazines based on thiourea-induced assembly","CrystEngComm","2018","20","8","1151","","10.1039/C7CE01996C","","","0.71073","MoKα","","0.0539","0.0396","","","0.0995","0.1081","","","","","","1.057","","","","has coordinates","228936","2020-10-21","18:00:00",""
"7230037","8.5271","0.0017","11.207","0.002","15.059","0.003","90","","90","","90","","1439.1","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H18 N4 O2 S -","- C11 H18 N4 O2 S -","- C44 H72 N16 O8 S4 -","4","1","","Fan, Qiangwen; Duan, Xiaowei; Yan, Hong","Solid state [2 + 2] photocycloaddition for constructing dimers of N,N′-diacyl-1,4-dihydropyrazines based on thiourea-induced assembly","CrystEngComm","2018","20","8","1151","","10.1039/C7CE01996C","","","0.71073","MoKα","","0.0609","0.0429","","","0.0873","0.0958","","","","","","0.963","","","","has coordinates","228936","2020-10-21","18:00:00",""
"7230038","12.177","0.002","10.283","0.002","24.918","0.005","90","","90","","90","","3120.1","1","113","2","113","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H20 N4 O4 -","- C16 H20 N4 O4 -","- C128 H160 N32 O32 -","8","2","","Fan, Qiangwen; Duan, Xiaowei; Yan, Hong","Solid state [2 + 2] photocycloaddition for constructing dimers of N,N′-diacyl-1,4-dihydropyrazines based on thiourea-induced assembly","CrystEngComm","2018","20","8","1151","","10.1039/C7CE01996C","","","0.71073","MoKα","","0.085","0.0732","","","0.1818","0.1908","","","","","","1.052","","","","has coordinates","228936","2020-10-21","18:00:00",""
"7230039","15.286","0.003","10.958","0.002","16.735","0.003","90","","91.88","0.03","90","","2801.7","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H18 N4 O2 S -","- C11 H18 N4 O2 S -","- C88 H144 N32 O16 S8 -","8","2","","Fan, Qiangwen; Duan, Xiaowei; Yan, Hong","Solid state [2 + 2] photocycloaddition for constructing dimers of N,N′-diacyl-1,4-dihydropyrazines based on thiourea-induced assembly","CrystEngComm","2018","20","8","1151","","10.1039/C7CE01996C","","","0.71073","MoKα","","0.0922","0.0546","","","0.1285","0.1482","","","","","","0.989","","","","has coordinates","228936","2020-10-21","18:00:00",""
"7230048","7.4861","0.0003","7.4773","0.0003","27.3003","0.001","90","","95.532","0.004","90","","1521.04","0.1","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 N3 O2 -","- C18 H17 N3 O2 -","- C72 H68 N12 O8 -","4","1","","Sampani, Stavroula I.; Loukopoulos, Edward; Azam, Mohammad; Griffiths, Kieran; Abdul-Sada, Alaa; Tizzard, Graham; Coles, Simon; Escuer, Albert; Tsipis, Athanassios; Kostakis, George E.","Polynuclear ampyrone based 3d coordination clusters","CrystEngComm","2018","20","10","1411","","10.1039/C7CE02093G","","x-ray","1.54184","CuKα","","0.0482","0.041","","","0.104","0.1111","","","","","","1.052","","","","has coordinates","228895","2020-10-21","18:00:00",""
"7230049","21.9366","0.0003","18.2644","0.0003","18.6976","0.0003","90","","103.484","0.0015","90","","7284.9","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C78 H73 Cu4 N15 O14 -","- C78 H73 Cu4 N15 O14 -","- C312 H292 Cu16 N60 O56 -","4","0.5","","Sampani, Stavroula I.; Loukopoulos, Edward; Azam, Mohammad; Griffiths, Kieran; Abdul-Sada, Alaa; Tizzard, Graham; Coles, Simon; Escuer, Albert; Tsipis, Athanassios; Kostakis, George E.","Polynuclear ampyrone based 3d coordination clusters","CrystEngComm","2018","20","10","1411","","10.1039/C7CE02093G","","x-ray","0.71075","MoKα","","0.032","0.028","","","0.0739","0.076","","","","","","1.039","","","","has coordinates,has disorder","228895","2020-10-21","18:00:00",""
"7230050","6.8165","0.0003","12.1809","0.0006","13.8681","0.0005","97.444","0.003","98.421","0.003","102.838","0.004","1094.8","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H27 Cu N3 O5 -","- C23 H27 Cu N3 O5 -","- C46 H54 Cu2 N6 O10 -","2","1","","Sampani, Stavroula I.; Loukopoulos, Edward; Azam, Mohammad; Griffiths, Kieran; Abdul-Sada, Alaa; Tizzard, Graham; Coles, Simon; Escuer, Albert; Tsipis, Athanassios; Kostakis, George E.","Polynuclear ampyrone based 3d coordination clusters","CrystEngComm","2018","20","10","1411","","10.1039/C7CE02093G","","x-ray","0.71073","MoKα","","0.076","0.0561","","","0.1331","0.1424","","","","","","1.048","","","","has coordinates","228895","2020-10-21","18:00:00",""
"7230051","13.8963","0.0003","13.7996","0.0003","20.7755","0.0005","90","","107.426","0.002","90","","3801.13","0.15","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H41 Co N9 O4 -","- C42 H41 Co N9 O4 -","- C168 H164 Co4 N36 O16 -","4","1","","Sampani, Stavroula I.; Loukopoulos, Edward; Azam, Mohammad; Griffiths, Kieran; Abdul-Sada, Alaa; Tizzard, Graham; Coles, Simon; Escuer, Albert; Tsipis, Athanassios; Kostakis, George E.","Polynuclear ampyrone based 3d coordination clusters","CrystEngComm","2018","20","10","1411","","10.1039/C7CE02093G","","x-ray","0.71073","MoKα","","0.0536","0.0383","","","0.0869","0.0953","","","","","","1.027","","","","has coordinates","228895","2020-10-21","18:00:00",""
"7230052","13.915","0.0002","13.7467","0.0002","20.8267","0.0004","90","","107.393","0.0019","90","","3801.7","0.11","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H41 N9 Ni O4 -","- C42 H41 N9 Ni O4 -","- C168 H164 N36 Ni4 O16 -","4","1","","Sampani, Stavroula I.; Loukopoulos, Edward; Azam, Mohammad; Griffiths, Kieran; Abdul-Sada, Alaa; Tizzard, Graham; Coles, Simon; Escuer, Albert; Tsipis, Athanassios; Kostakis, George E.","Polynuclear ampyrone based 3d coordination clusters","CrystEngComm","2018","20","10","1411","","10.1039/C7CE02093G","","x-ray","1.54184","CuKα","","0.0458","0.0377","","","0.0985","0.106","","","","","","1.024","","","","has coordinates","228895","2020-10-21","18:00:00",""
"7230053","13.4231","0.0004","30.1689","0.0009","14.2158","0.0004","90","","90","","90","","5756.8","0.3","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C64 H64 Cl Cu2 N7 O13 -","- C64 H64 Cl Cu2 N7 O13 -","- C256 H256 Cl4 Cu8 N28 O52 -","4","1","","Sampani, Stavroula I.; Loukopoulos, Edward; Azam, Mohammad; Griffiths, Kieran; Abdul-Sada, Alaa; Tizzard, Graham; Coles, Simon; Escuer, Albert; Tsipis, Athanassios; Kostakis, George E.","Polynuclear ampyrone based 3d coordination clusters","CrystEngComm","2018","20","10","1411","","10.1039/C7CE02093G","","x-ray","0.71075","MoKα","","0.0809","0.0642","","","0.1494","0.1589","","","","","","1.027","","","","has coordinates","228895","2020-10-21","18:00:00",""
"7230054","20.7411","0.001","35.8785","0.0014","18.2934","0.0008","90","","109.654","0.005","90","","12820.1","1.1","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C205 H227 Cl3 N37 Ni10 O51 -","- C205 H227 Cl3 N37 Ni10 O51 -","- C410 H454 Cl6 N74 Ni20 O102 -","2","0.5","","Sampani, Stavroula I.; Loukopoulos, Edward; Azam, Mohammad; Griffiths, Kieran; Abdul-Sada, Alaa; Tizzard, Graham; Coles, Simon; Escuer, Albert; Tsipis, Athanassios; Kostakis, George E.","Polynuclear ampyrone based 3d coordination clusters","CrystEngComm","2018","20","10","1411","","10.1039/C7CE02093G","","x-ray","1.54184","CuKα","","0.1445","0.0902","","","0.2336","0.268","","","","","","1.016","","","","has coordinates,has disorder","228895","2020-10-21","18:00:00",""
"7230055","14.8923","0.0004","17.0968","0.0007","17.3958","0.0006","87.743","0.003","85.594","0.002","79.606","0.003","4342.1","0.3","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C86 H90 Cl2 N14 Ni4 O21 -","- C86 H90 Cl2 N14 Ni4 O21 -","- C172 H180 Cl4 N28 Ni8 O42 -","2","1","","Sampani, Stavroula I.; Loukopoulos, Edward; Azam, Mohammad; Griffiths, Kieran; Abdul-Sada, Alaa; Tizzard, Graham; Coles, Simon; Escuer, Albert; Tsipis, Athanassios; Kostakis, George E.","Polynuclear ampyrone based 3d coordination clusters","CrystEngComm","2018","20","10","1411","","10.1039/C7CE02093G","","x-ray","1.54184","CuKα","","0.0639","0.0529","","","0.1308","0.1419","","","","","","1.053","","","","has coordinates","228895","2020-10-21","18:00:00",""
"7230056","15.2703","0.0007","28.8077","0.0012","22.7473","0.0009","90","","107.926","0.005","90","","9520.8","0.7","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C86 H108 Cl2 N12 Ni4 O25 -","- C86 H108 Cl2 N12 Ni4 O25 -","- C344 H432 Cl8 N48 Ni16 O100 -","4","1","","Sampani, Stavroula I.; Loukopoulos, Edward; Azam, Mohammad; Griffiths, Kieran; Abdul-Sada, Alaa; Tizzard, Graham; Coles, Simon; Escuer, Albert; Tsipis, Athanassios; Kostakis, George E.","Polynuclear ampyrone based 3d coordination clusters","CrystEngComm","2018","20","10","1411","","10.1039/C7CE02093G","","x-ray","1.54184","CuKα","","0.0941","0.0754","","","0.219","0.2432","","","","","","1.085","","","","has coordinates,has disorder","228895","2020-10-21","18:00:00",""
"7230057","13.663","0.0008","14.4902","0.0008","15.6628","0.0008","70.842","0.005","67.379","0.005","68.614","0.005","2600.8","0.3","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C45 H44 Cl N7 Ni2 O14 -","- C45 H44 Cl N7 Ni2 O14 -","- C90 H88 Cl2 N14 Ni4 O28 -","2","1","","Sampani, Stavroula I.; Loukopoulos, Edward; Azam, Mohammad; Griffiths, Kieran; Abdul-Sada, Alaa; Tizzard, Graham; Coles, Simon; Escuer, Albert; Tsipis, Athanassios; Kostakis, George E.","Polynuclear ampyrone based 3d coordination clusters","CrystEngComm","2018","20","10","1411","","10.1039/C7CE02093G","","x-ray","0.71073","MoKα","","0.1176","0.0677","","","0.156","0.181","","","","","","0.978","","","","has coordinates","228895","2020-10-21","18:00:00",""
"7230066","13.463","0.002","13.599","0.002","14.644","0.002","73.288","0.002","68.72","0.002","60.714","0.002","2158.9","0.5","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C56 H38 N4 -","- C56 H38 N4 -","- C112 H76 N8 -","2","1","","Zhang, Yuyang; Huang, Jianyan; Kong, Lin; Tian, Yupeng; Yang, Jiaxiang","Two novel AIEE-active imidazole/ α-cyanostilbene derivatives: photophysical properties, reversible fluorescence switching, and detection of explosives","CrystEngComm","2018","20","9","1237","","10.1039/C7CE01842H","","","0.71073","MoKα","","0.2078","0.1772","","","0.4773","0.5093","","","","","","2.049","","","","has coordinates","229076","2020-10-21","18:00:00",""
"7230067","7.173","0.003","11.186","0.005","5.156","0.002","90","","131.082","0.003","90","","311.8","0.2","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Nb O4 Tb -","- Nb O4 Tb -","- Nb4 O16 Tb4 -","4","0.5","","Guo, Jiayi; Ren, Junyu; Cheng, Rui; Dong, Qing; Gao, Cunyuan; Zhang, Xuzhao; Guo, Shiyi","Growth, structural and thermophysical properties of TbNbO4 crystals","CrystEngComm","2018","20","10","1455","","10.1039/C7CE02072D","","","0.71073","MoKα","","0.0249","0.0249","","","0.0644","0.0644","","","","","","1.143","","","","has coordinates","228894","2020-10-21","18:00:00",""
"7230068","15.6204","0.0007","11.7065","0.0005","15.7573","0.0007","90","","97.221","0.002","90","","2858.5","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","S107","","","- C30 H30 Mn N3 O3 S2 -","- C30 H30 Mn N3 O3 S2 -","- C120 H120 Mn4 N12 O12 S8 -","4","1","","Sarkar, Nandita; Drew, Michael G. B.; Harms, Klaus; Bauzá, Antonio; Frontera, Antonio; Chattopadhyay, Shouvik","Methylene spacer regulated variation in conformation of tetradentate N2O2 donor Schiff bases trapped in manganese(iii) complexes","CrystEngComm","2018","20","8","1077","","10.1039/C7CE02019H","","","0.71073","MoKα","","0.0478","0.0338","","","0.0704","0.075","","","","","","1.061","","","","has coordinates","228939","2020-10-21","18:00:00",""
"7230069","11.0249","0.0004","11.9113","0.0005","11.9381","0.0005","114.849","0.001","106.773","0.001","95.718","0.001","1317.3","0.09","100","2","100","2","","","","","","","","7","P -1","-P 1","2","S106","","","- C46 H62 Mn2 N6 O13 S2 Se2 -","- C46 H62 Mn2 N6 O13 S2 Se2 -","- C46 H62 Mn2 N6 O13 S2 Se2 -","1","0.5","","Sarkar, Nandita; Drew, Michael G. B.; Harms, Klaus; Bauzá, Antonio; Frontera, Antonio; Chattopadhyay, Shouvik","Methylene spacer regulated variation in conformation of tetradentate N2O2 donor Schiff bases trapped in manganese(iii) complexes","CrystEngComm","2018","20","8","1077","","10.1039/C7CE02019H","","","0.71073","MoKα","","0.0373","0.0281","","","0.0629","0.0661","","","","","","1.022","","","","has coordinates,has disorder","228939","2020-10-21","18:00:00",""
"7230070","13.8991","0.0004","11.8029","0.0004","14.2659","0.0005","90","","92.954","0.003","90","","2337.21","0.13","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 Mn N3 O3 S2 -","- C22 H26 Mn N3 O3 S2 -","- C88 H104 Mn4 N12 O12 S8 -","4","1","","Sarkar, Nandita; Drew, Michael G. B.; Harms, Klaus; Bauzá, Antonio; Frontera, Antonio; Chattopadhyay, Shouvik","Methylene spacer regulated variation in conformation of tetradentate N2O2 donor Schiff bases trapped in manganese(iii) complexes","CrystEngComm","2018","20","8","1077","","10.1039/C7CE02019H","","","0.71073","MoKα","","0.0543","0.0423","","","0.0982","0.1043","","","","","","1.024","","","","has coordinates","228939","2020-10-21","18:00:00",""
"7230071","9.867","0.0003","12.1265","0.0005","18.8346","0.0007","90","","90","","90","","2253.6","0.14","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 Mn N5 O3 S -","- C21 H26 Mn N5 O3 S -","- C84 H104 Mn4 N20 O12 S4 -","4","1","","Sarkar, Nandita; Drew, Michael G. B.; Harms, Klaus; Bauzá, Antonio; Frontera, Antonio; Chattopadhyay, Shouvik","Methylene spacer regulated variation in conformation of tetradentate N2O2 donor Schiff bases trapped in manganese(iii) complexes","CrystEngComm","2018","20","8","1077","","10.1039/C7CE02019H","","","0.71073","MoKα","","0.0828","0.0566","","","0.08","0.088","","","","","","0.949","","","","has coordinates","228939","2020-10-21","18:00:00",""
"7230072","13.3075","0.0015","10.978","0.0011","18.002","0.002","90","","91.781","0.004","90","","2628.6","0.5","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","S120","","","- C31 H24 Mn N3 O3 S2 -","- C31 H24 Mn N3 O3 S2 -","- C124 H96 Mn4 N12 O12 S8 -","4","1","","Sarkar, Nandita; Drew, Michael G. B.; Harms, Klaus; Bauzá, Antonio; Frontera, Antonio; Chattopadhyay, Shouvik","Methylene spacer regulated variation in conformation of tetradentate N2O2 donor Schiff bases trapped in manganese(iii) complexes","CrystEngComm","2018","20","8","1077","","10.1039/C7CE02019H","","","0.71073","MoKα","","0.0439","0.0383","","","0.1002","0.105","","","","","","1.06","","","","has coordinates,has disorder","228939","2020-10-21","18:00:00",""
"7230073","15.3576","0.001","17.1311","0.0011","12.1008","0.0008","90","","123.884","0.002","90","","2642.9","0.3","110","2","110","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","S110","","","- C22 H30 Cl Mn N2 O10 S -","- C21.5 H30 Cl Mn N2 O10 S -","- C86 H120 Cl4 Mn4 N8 O40 S4 -","4","0.5","","Sarkar, Nandita; Drew, Michael G. B.; Harms, Klaus; Bauzá, Antonio; Frontera, Antonio; Chattopadhyay, Shouvik","Methylene spacer regulated variation in conformation of tetradentate N2O2 donor Schiff bases trapped in manganese(iii) complexes","CrystEngComm","2018","20","8","1077","","10.1039/C7CE02019H","","","0.71073","MoKα","","0.0479","0.0427","","","0.1056","0.1075","","","","","","1.116","","","","has coordinates,has disorder","228939","2020-10-21","18:00:00",""
"7230074","12.5031","0.0006","14.6639","0.0007","15.1065","0.0008","90","","90.903","0.004","90","","2769.3","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H34 Mn N3 O5 S2 -","- C26 H34 Mn N3 O5 S2 -","- C104 H136 Mn4 N12 O20 S8 -","4","1","","Sarkar, Nandita; Drew, Michael G. B.; Harms, Klaus; Bauzá, Antonio; Frontera, Antonio; Chattopadhyay, Shouvik","Methylene spacer regulated variation in conformation of tetradentate N2O2 donor Schiff bases trapped in manganese(iii) complexes","CrystEngComm","2018","20","8","1077","","10.1039/C7CE02019H","","","0.71073","MoKα","","0.1621","0.0827","","","0.1056","0.1282","","","","","","0.992","","","","has coordinates","228939","2020-10-21","18:00:00",""
"7230079","7.0958","0.0005","24.4284","0.0017","9.0306","0.0007","90","","108.453","0.003","90","","1484.87","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 Cl N O -","- C19 H14 Cl N O -","- C76 H56 Cl4 N4 O4 -","4","1","","Bao, Junjie; Zhang, Zaiyong; Yan, Zhicheng; Wang, Jian-Rong; Mei, Xuefeng","Cocrystallization in vitamin B9 gels to construct stoichiometry-controlled isostructural materials","CrystEngComm","2018","20","12","1644","","10.1039/C7CE02083J","","","0.71073","MoKα","","0.034","0.031","","","0.0839","0.0861","","","","","","1.025","","","","has coordinates","229154","2020-10-21","18:00:00",""
"7230080","7.301","0.0003","25.9817","0.001","9.1022","0.0004","90","","111.488","0.002","90","","1606.61","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 I N O -","- C19 H14 I N O -","- C76 H56 I4 N4 O4 -","4","1","","Bao, Junjie; Zhang, Zaiyong; Yan, Zhicheng; Wang, Jian-Rong; Mei, Xuefeng","Cocrystallization in vitamin B9 gels to construct stoichiometry-controlled isostructural materials","CrystEngComm","2018","20","12","1644","","10.1039/C7CE02083J","","","0.71073","MoKα","","0.0378","0.0275","","","0.0549","0.0592","","","","","","1.024","","","","has coordinates","229154","2020-10-21","18:00:00",""
"7230081","7.1573","0.0004","24.8433","0.0014","9.0381","0.0006","90","","108.491","0.003","90","","1524.11","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 Br N O -","- C19 H14 Br N O -","- C76 H56 Br4 N4 O4 -","4","1","","Bao, Junjie; Zhang, Zaiyong; Yan, Zhicheng; Wang, Jian-Rong; Mei, Xuefeng","Cocrystallization in vitamin B9 gels to construct stoichiometry-controlled isostructural materials","CrystEngComm","2018","20","12","1644","","10.1039/C7CE02083J","","","0.71073","MoKα","","0.0371","0.0316","","","0.0825","0.0855","","","","","","1.003","","","","has coordinates","229154","2020-10-21","18:00:00",""
"7230082","12.8719","0.0004","14.5519","0.0004","14.2914","0.0004","90","","115.4","0.001","90","","2418.17","0.12","170","","170","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H23 Cl N2 O -","- C32 H23 Cl N2 O -","- C128 H92 Cl4 N8 O4 -","4","2","","Bao, Junjie; Zhang, Zaiyong; Yan, Zhicheng; Wang, Jian-Rong; Mei, Xuefeng","Cocrystallization in vitamin B9 gels to construct stoichiometry-controlled isostructural materials","CrystEngComm","2018","20","12","1644","","10.1039/C7CE02083J","","","0.71073","MoKα","","0.0474","0.0405","","","0.1052","0.1104","","","","","","1.009","","","","has coordinates","229154","2020-10-21","18:00:00",""
"7230083","13.0192","0.0002","14.6232","0.0003","14.2369","0.0002","90","","115.288","0.001","90","","2450.72","0.07","170","","170","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H23 Br N2 O -","- C32 H23 Br N2 O -","- C128 H92 Br4 N8 O4 -","4","2","","Bao, Junjie; Zhang, Zaiyong; Yan, Zhicheng; Wang, Jian-Rong; Mei, Xuefeng","Cocrystallization in vitamin B9 gels to construct stoichiometry-controlled isostructural materials","CrystEngComm","2018","20","12","1644","","10.1039/C7CE02083J","","","0.71073","MoKα","","0.0782","0.0449","","","0.0707","0.0796","","","","","","0.948","","","","has coordinates","229154","2020-10-21","18:00:00",""
"7230084","17.8528","0.0006","10.1405","0.0004","28.1824","0.001","90","","90","","90","","5102","0.3","170","","170","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H23 I N2 O -","- C32 H23 I N2 O -","- C256 H184 I8 N16 O8 -","8","1","","Bao, Junjie; Zhang, Zaiyong; Yan, Zhicheng; Wang, Jian-Rong; Mei, Xuefeng","Cocrystallization in vitamin B9 gels to construct stoichiometry-controlled isostructural materials","CrystEngComm","2018","20","12","1644","","10.1039/C7CE02083J","","","0.71073","MoKα","","0.0431","0.0283","","","0.0629","0.0698","","","","","","1.01","","","","has coordinates","229154","2020-10-21","18:00:00",""
"7230085","18.3054","0.0007","18.3054","0.0007","24.9411","0.0019","90","","90","","120","","7237.8","0.7","296","2","296","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C30 H42 N6 O86 P2 S6 W24 -","- C30 H30 N6 O86 P2 S6 W24 -","- C90 H90 N18 O258 P6 S18 W72 -","3","0.333333","","Tian, Xuerui; Xin, Xing; Gao, Yuanzhe; Han, Zhangang","Supramolecular cooperative interaction-induced assembly of phosphotungstate polyanions and sulfur-containing pyridine-based cations","CrystEngComm","2018","20","11","1588","","10.1039/C8CE00026C","","","0.71073","MoKα","","0.0325","0.0317","","","0.0718","0.0723","","","","","","1.055","","","","has coordinates","229146","2020-10-21","18:00:00",""
"7230086","11.5893","0.0011","14.0435","0.0013","18.6103","0.0014","90","","123.117","0.004","90","","2536.9","0.4","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 N4 O46 P S2 W12 -","- C20 H20 N4 O42 P S2 W12 -","- C40 H40 N8 O84 P2 S4 W24 -","2","0.5","","Tian, Xuerui; Xin, Xing; Gao, Yuanzhe; Han, Zhangang","Supramolecular cooperative interaction-induced assembly of phosphotungstate polyanions and sulfur-containing pyridine-based cations","CrystEngComm","2018","20","11","1588","","10.1039/C8CE00026C","","","0.71073","MoKα","","0.0657","0.0631","","","0.179","0.1815","","","","","","1.082","","","","has coordinates","229146","2020-10-21","18:00:00",""
"7230087","14.9281","0.0017","20.076","0.002","26.708","0.003","90","","120.559","0.005","90","","6892.5","1.3","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C20 H48 Ag12 N4 O137 P4 S4 W36 -","- C20 H20 Ag12 N4 O137 P4 S4 W36 -","- C40 H40 Ag24 N8 O274 P8 S8 W72 -","2","0.5","","Tian, Xuerui; Xin, Xing; Gao, Yuanzhe; Han, Zhangang","Supramolecular cooperative interaction-induced assembly of phosphotungstate polyanions and sulfur-containing pyridine-based cations","CrystEngComm","2018","20","11","1588","","10.1039/C8CE00026C","","","0.71073","MoKα","","0.0966","0.0533","","","0.1297","0.1565","","","","","","1.04","","","","has coordinates","229146","2020-10-21","18:00:00",""
"7230088","7.2124","0.0006","10.582","0.0005","17.2167","0.0009","90","","90","","90","","1314.01","0.14","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 N3 O4 -","- C11 H15 N3 O4 -","- C44 H60 N12 O16 -","4","1","","Hema, Kuntrapakam; Sureshan, Kana M.","Three-way competition in a topochemical reaction: permutative azide‒alkyne cycloaddition reactions leading to a vast library of products in the crystal","CrystEngComm","2018","20","11","1478","","10.1039/C8CE00131F","","","0.71073","MoKα","","0.0423","0.0332","","","0.0859","0.0928","","","","","","1.031","","","","has coordinates","229145","2020-10-21","18:00:00",""
"7230089","10.9281","0.0002","9.8404","0.0003","11.7942","0.0003","90","","97.535","0.001","90","","1257.36","0.06","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H15 N3 O4 -","- C11 H15 N3 O4 -","- C44 H60 N12 O16 -","4","2","","Hema, Kuntrapakam; Sureshan, Kana M.","Three-way competition in a topochemical reaction: permutative azide‒alkyne cycloaddition reactions leading to a vast library of products in the crystal","CrystEngComm","2018","20","11","1478","","10.1039/C8CE00131F","","","0.71073","MoKα","","0.0406","0.0317","","","0.0763","0.0802","","","","","","0.985","","","","has coordinates","229145","2020-10-21","18:00:00",""
"7230090","5.443","0.0002","21.1577","0.0006","21.2367","0.0006","90","","90","","90","","2445.65","0.13","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30.63 N6 O8.32 -","- C22 H30 N6 O8.3155 -","- C88 H120 N24 O33.262 -","4","1","","Hema, Kuntrapakam; Sureshan, Kana M.","Three-way competition in a topochemical reaction: permutative azide‒alkyne cycloaddition reactions leading to a vast library of products in the crystal","CrystEngComm","2018","20","11","1478","","10.1039/C8CE00131F","","","0.71073","MoKα","","0.0464","0.037","","","0.0854","0.09","","","","","","1.056","","","","has coordinates","229145","2020-10-21","18:00:00",""
"7230098","5.6075","0.0001","13.0331","0.0003","14.8275","0.0003","114.825","0.002","100.483","0.002","91.664","0.002","960.32","0.04","100","1","100","1","","","","","","","","4","P -1","-P 1","2","2-oxindole","indolin-2-one","","- C8 H7 N O -","- C8 H7 N O -","- C48 H42 N6 O6 -","6","3","","Hachuła, Barbara; Zubko, Maciej; Zajdel, Paweł; Książek, Maria; Kusz, Joachim; Starczewska, Oliwia; Janek, Joanna; Pisarski, Wojciech","Polymorphs of oxindole as the core structures in bioactive compounds","CrystEngComm","2018","20","12","1739","","10.1039/C7CE01237C","","","0.71073","MoKα","","0.0344","0.029","","","0.0896","0.0917","","","","","","1.084","","","","has coordinates","229155","2020-10-21","18:00:00",""
"7230099","14.2644","0.0009","12.9569","0.0008","6.9931","0.0004","90","","100.393","0.006","90","","1271.28","0.14","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-oxindole","indolin-2-one","","- C8 H7 N O -","- C8 H7 N O -","- C64 H56 N8 O8 -","8","2","","Hachuła, Barbara; Zubko, Maciej; Zajdel, Paweł; Książek, Maria; Kusz, Joachim; Starczewska, Oliwia; Janek, Joanna; Pisarski, Wojciech","Polymorphs of oxindole as the core structures in bioactive compounds","CrystEngComm","2018","20","12","1739","","10.1039/C7CE01237C","","","0.71073","MoKα","","0.0712","0.0348","","","0.0615","0.0651","","","","","","0.943","","","","has coordinates","229155","2020-10-21","18:00:00",""
"7230100","14.4305","0.0009","13.1657","0.001","7.0872","0.0005","90","","101.958","0.007","90","","1317.26","0.16","293","1","293","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-oxindole","indolin-2-one","","- C8 H7 N O -","- C8 H7 N O -","- C64 H56 N8 O8 -","8","2","","Hachuła, Barbara; Zubko, Maciej; Zajdel, Paweł; Książek, Maria; Kusz, Joachim; Starczewska, Oliwia; Janek, Joanna; Pisarski, Wojciech","Polymorphs of oxindole as the core structures in bioactive compounds","CrystEngComm","2018","20","12","1739","","10.1039/C7CE01237C","","","0.71073","MoKα","","0.1045","0.0467","","","0.0774","0.0839","","","","","","1.037","","","","has coordinates","229155","2020-10-21","18:00:00",""
"7230101","12.8234","0.0003","8.0674","0.0002","13.4505","0.0003","90","","111.531","0.002","90","","1294.38","0.06","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-oxindole","indolin-2-one","","- C8 H7 N O -","- C8 H7 N O -","- C64 H56 N8 O8 -","8","2","","Hachuła, Barbara; Zubko, Maciej; Zajdel, Paweł; Książek, Maria; Kusz, Joachim; Starczewska, Oliwia; Janek, Joanna; Pisarski, Wojciech","Polymorphs of oxindole as the core structures in bioactive compounds","CrystEngComm","2018","20","12","1739","","10.1039/C7CE01237C","","","0.71073","MoKα","","0.0354","0.0288","","","0.0806","0.0828","","","","","","1.013","","","","has coordinates","229155","2020-10-21","18:00:00",""
"7230102","5.652","0.0005","13.1283","0.0018","14.9297","0.001","114.314","0.019","100.619","0.01","91.595","0.009","985.6","0.2","296","1","296","1","","","","","","","","4","P -1","-P 1","2","2-oxindole","indolin-2-one","","- C8 H7 N O -","- C8 H7 N O -","- C48 H42 N6 O6 -","6","3","","Hachuła, Barbara; Zubko, Maciej; Zajdel, Paweł; Książek, Maria; Kusz, Joachim; Starczewska, Oliwia; Janek, Joanna; Pisarski, Wojciech","Polymorphs of oxindole as the core structures in bioactive compounds","CrystEngComm","2018","20","12","1739","","10.1039/C7CE01237C","","","0.71073","MoKα","","0.0437","0.0303","","","0.0749","0.0779","","","","","","1.004","","","","has coordinates","229155","2020-10-21","18:00:00",""
"7230103","12.7471","0.0005","8.2941","0.0003","13.5772","0.0006","90","","111.406","0.005","90","","1336.44","0.1","296","1","296","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-oxindole","indolin-2-one","","- C8 H7 N O -","- C8 H7 N O -","- C64 H56 N8 O8 -","8","2","","Hachuła, Barbara; Zubko, Maciej; Zajdel, Paweł; Książek, Maria; Kusz, Joachim; Starczewska, Oliwia; Janek, Joanna; Pisarski, Wojciech","Polymorphs of oxindole as the core structures in bioactive compounds","CrystEngComm","2018","20","12","1739","","10.1039/C7CE01237C","","","0.71073","MoKα","","0.0538","0.0316","","","0.0585","0.0607","","","","","","1.012","","","","has coordinates","229155","2020-10-21","18:00:00",""
"7230104","12.2387","0.0007","7.2236","0.0004","8.0822","0.0004","90","","103.325","0.006","90","","695.29","0.07","293","1","293","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-oxindole","","- C8 H7 N O -","- C8 H7 N O -","- C32 H28 N4 O4 -","4","1","","Hachuła, Barbara; Zubko, Maciej; Zajdel, Paweł; Książek, Maria; Kusz, Joachim; Starczewska, Oliwia; Janek, Joanna; Pisarski, Wojciech","Polymorphs of oxindole as the core structures in bioactive compounds","CrystEngComm","2018","20","12","1739","","10.1039/C7CE01237C","","","0.71073","MoKα","","0.0809","0.0499","","","0.122","0.1518","","","","","","1.062","","","","has coordinates","229155","2020-10-21","18:00:00",""
"7230105","12.0455","0.0003","7.0949","0.0002","7.967","0.0002","90","","101.314","0.003","90","","667.64","0.03","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","oxindole","2-indolinone","","- C8 H7 N O -","- C8 H7 N O -","- C32 H28 N4 O4 -","4","1","","Hachuła, Barbara; Zubko, Maciej; Zajdel, Paweł; Książek, Maria; Kusz, Joachim; Starczewska, Oliwia; Janek, Joanna; Pisarski, Wojciech","Polymorphs of oxindole as the core structures in bioactive compounds","CrystEngComm","2018","20","12","1739","","10.1039/C7CE01237C","","","0.71073","MoKα","","0.0422","0.0353","","","0.0956","0.1024","","","","","","1.053","","","","has coordinates","229155","2020-10-21","18:00:00",""
"7230106","14.9614","0.0017","15.2536","0.0016","30.99","0.004","90","","96.288","0.003","90","","7029.8","1.4","100","2","100","2","","","","","","","Vapour diffison of dichloromethane into heaxafluoro-2-propanol solution","4","P 1 21/c 1","-P 2ybc","14","tetrakis(4-thyminylmethylphenyl)methane","1,1',1'',1'''-[4,4',4'',4'''-Methanetetrayltetrakis(benzene-4,1-diyl)tetrakis(methylene)]tetrakis[5-methylpyrimidine-2,4(1H,3H)-dione]","","- C49 H44 N8 O8 -","- C49 H44 N8 O8 -","- C196 H176 N32 O32 -","4","1","","Qi, L.; Gundersen, L.-L.; Görbitz, C. H.","2-D and 3-D porous structures from tetrakis(4-thyminylmethylphenyl)methane","CrystEngComm","2018","20","9","1179","","10.1039/C8CE00078F","","","0.71073","MoKα","","0.1274","0.0796","","","0.1997","0.2275","","","","","","1.08","","","","has coordinates","229074","2020-10-21","18:00:00",""
"7230107","14.4613","0.0017","20.326","0.002","23.303","0.003","65.194","0.003","85.341","0.003","73.765","0.003","5964.6","1.2","100","2","100","2","","","","","","","Vapour diffison of 2-methanol into heaxafluoro-2-propanol solution","4","P -1","-P 1","2","tetrakis(4-thyminylmethylphenyl)methane","1,1',1'',1'''-[4,4',4'',4'''-Methanetetrayltetrakis(benzene-4,1-diyl)tetrakis(methylene)]tetrakis[5-methylpyrimidine-2,4(1H,3H)-dione]hemimethanol solvate","","- C49.5 H46 N8 O8.5 -","- C49.5 H46 N8 O8.5 -","- C198 H184 N32 O34 -","4","2","","Qi, L.; Gundersen, L.-L.; Görbitz, C. H.","2-D and 3-D porous structures from tetrakis(4-thyminylmethylphenyl)methane","CrystEngComm","2018","20","9","1179","","10.1039/C8CE00078F","","","0.71073","MoKα","","0.1112","0.0727","","","0.1813","0.2044","","","","","","1.019","","","","has coordinates","229074","2020-10-21","18:00:00",""
"7230108","15.304","0.003","6.2273","0.0012","14.009","0.003","90","","115.285","0.002","90","","1207.2","0.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H6 Au Cl2 Cu N4 -","- C6 H6 Au Cl2 Cu N4 -","- C24 H24 Au4 Cl8 Cu4 N16 -","4","0.5","","Ovens, Jeffrey S.; Leznoff, Daniel B.","Probing halogen⋯halogen interactions via thermal expansion analysis","CrystEngComm","2018","20","13","1769","","10.1039/C7CE02167D","","","0.71073","MoKα","","0.0235","0.0181","","","0.0424","0.0449","","","","","","1.059","","","","has coordinates","229056","2020-10-21","18:00:00",""
"7230109","15.5179","0.0011","5.9393","0.0004","14.8526","0.001","90","","112.769","0.001","90","","1262.22","0.15","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H6 Au Br2 Cu N4 -","- C6 H6 Au Br2 Cu N4 -","- C24 H24 Au4 Br8 Cu4 N16 -","4","0.5","","Ovens, Jeffrey S.; Leznoff, Daniel B.","Probing halogen⋯halogen interactions via thermal expansion analysis","CrystEngComm","2018","20","13","1769","","10.1039/C7CE02167D","","","0.71073","MoKα","","0.0202","0.0158","","","0.0352","0.0363","","","","","","1.04","","","","has coordinates","229056","2020-10-21","18:00:00",""
"7230110","16.567","0.0016","5.5064","0.0005","15.8161","0.0015","90","","108.258","0.001","90","","1370.2","0.2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H6 Au Cu I2 N4 -","- C6 H6 Au Cu I2 N4 -","- C24 H24 Au4 Cu4 I8 N16 -","4","0.5","","Ovens, Jeffrey S.; Leznoff, Daniel B.","Probing halogen⋯halogen interactions via thermal expansion analysis","CrystEngComm","2018","20","13","1769","","10.1039/C7CE02167D","","","0.71073","MoKα","","0.0223","0.0208","","","0.0519","0.0526","","","","","","1.129","","","","has coordinates","229056","2020-10-21","18:00:00",""
"7230114","16.066","0.005","16.264","0.005","25.721","0.008","95.908","0.004","98.689","0.003","94.564","0.004","6577","4","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H40 N8 O5 -","- C30 H40 N8 O5 -","- C240 H320 N64 O40 -","8","4","","Kennedy, Stuart R.; Jones, Christopher D.; Yufit, Dmitry S.; Nicholson, Catherine E.; Cooper, Sharon J.; Steed, Jonathan W.","Tailored supramolecular gel and microemulsion crystallization strategies ‒ is isoniazid really monomorphic?","CrystEngComm","2018","20","10","1390","","10.1039/C8CE00066B","","x-ray","0.6889","","","0.1927","0.0879","","","0.1974","0.2278","","","","","","0.968","","","","has coordinates,has disorder","228896","2020-10-21","18:00:00",""
"7230115","17.306","0.002","16.8727","0.0019","23.268","0.003","90","","90","","90","","6794.2","1.4","120","","120","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H46 N8 O6 -","- C32 H46 N8 O6 -","- C256 H368 N64 O48 -","8","1","","Kennedy, Stuart R.; Jones, Christopher D.; Yufit, Dmitry S.; Nicholson, Catherine E.; Cooper, Sharon J.; Steed, Jonathan W.","Tailored supramolecular gel and microemulsion crystallization strategies ‒ is isoniazid really monomorphic?","CrystEngComm","2018","20","10","1390","","10.1039/C8CE00066B","","x-ray","0.71073","MoKα","","0.1801","0.0868","","","0.1733","0.2169","","","","","","1.015","","","","has coordinates","228896","2020-10-21","18:00:00",""
"7230116","16.641","0.003","16.911","0.003","26.532","0.004","90","","92.145","0.005","90","","7461","2","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H50 N8 O6 -","- C38 H50 N8 O6 -","- C304 H400 N64 O48 -","8","2","","Kennedy, Stuart R.; Jones, Christopher D.; Yufit, Dmitry S.; Nicholson, Catherine E.; Cooper, Sharon J.; Steed, Jonathan W.","Tailored supramolecular gel and microemulsion crystallization strategies ‒ is isoniazid really monomorphic?","CrystEngComm","2018","20","10","1390","","10.1039/C8CE00066B","","x-ray","0.71073","MoKα","","0.1789","0.1197","","","0.2323","0.2607","","","","","","1.092","","","","has coordinates","228896","2020-10-21","18:00:00",""
"7230117","15.8133","0.0005","15.8133","0.0005","20.5773","0.0008","90","","90","","90","","5145.6","0.3","120","","120","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C26 H30 N8 O4 -","- C26 H30 N8 O4 -","- C208 H240 N64 O32 -","8","0.5","","Kennedy, Stuart R.; Jones, Christopher D.; Yufit, Dmitry S.; Nicholson, Catherine E.; Cooper, Sharon J.; Steed, Jonathan W.","Tailored supramolecular gel and microemulsion crystallization strategies ‒ is isoniazid really monomorphic?","CrystEngComm","2018","20","10","1390","","10.1039/C8CE00066B","","x-ray","0.71073","MoKα","","0.0376","0.0329","","","0.0788","0.0814","","","","","","1.04","","","","has coordinates","228896","2020-10-21","18:00:00",""
"7230118","9.0337","0.0007","14.7317","0.0014","19.8607","0.0015","90","","90","","90","","2643.1","0.4","120","","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H32 N8 O5 -","- C26 H32 N8 O5 -","- C104 H128 N32 O20 -","4","1","","Kennedy, Stuart R.; Jones, Christopher D.; Yufit, Dmitry S.; Nicholson, Catherine E.; Cooper, Sharon J.; Steed, Jonathan W.","Tailored supramolecular gel and microemulsion crystallization strategies – is isoniazid really monomorphic?","CrystEngComm","2018","20","10","1390","","10.1039/C8CE00066B","","x-ray","0.71073","MoKα","","0.0995","0.0723","","","0.1629","0.1782","","","","","","1.036","","","","has coordinates","288501","2023-12-22","13:20:52",""
"7230119","13.3968","0.0008","16.0797","0.0006","16.7219","0.0008","84.489","0.004","67.608","0.005","82.921","0.004","3300.4","0.3","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C33 H39 N9 O4 -","- C33 H39 N9 O4 -","- C132 H156 N36 O16 -","4","2","","Kennedy, Stuart R.; Jones, Christopher D.; Yufit, Dmitry S.; Nicholson, Catherine E.; Cooper, Sharon J.; Steed, Jonathan W.","Tailored supramolecular gel and microemulsion crystallization strategies ‒ is isoniazid really monomorphic?","CrystEngComm","2018","20","10","1390","","10.1039/C8CE00066B","","x-ray","0.6889","","","0.09","0.0603","","","0.1502","0.1669","","","","","","1.035","","","","has coordinates","228896","2020-10-21","18:00:00",""
"7230120","14.71","0.003","14.32","0.003","15.8","0.003","90","","96.47","0.03","90","","3307","1.2","100.15","","100.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 Cr2 Cu N6 O7 -","- C20 H22 Cr2 Cu N6 O7 -","- C80 H88 Cr8 Cu4 N24 O28 -","4","1","","Scott, Hayley S.; Mukherjee, Soumya; Turner, David R.; Polson, Matthew I. J.; Zaworotko, Michael J.; Kruger, Paul E.","Crystal engineering of dichromate pillared hybrid ultramicroporous materials incorporating pyrazole-based ligands","CrystEngComm","2018","20","9","1193","","10.1039/C8CE00149A","","","0.71073","synchrotron","","0.0548","0.0517","","","0.1457","0.1482","","","","","","1.084","","","","has coordinates,has disorder","229078","2020-10-21","18:00:00",""
"7230121","18.658","0.002","18.658","0.002","8.653","0.0017","90","","90","","90","","3012.3","0.7","100.15","","100.15","","","","","","","","","6","P 4 21 2","P 4ab 2ab","90","","","","- C20 H28 Cr2 Cu N8 O7 -","- C20 H28 Cr2 Cu N8 O7 -","- C80 H112 Cr8 Cu4 N32 O28 -","4","0.5","","Scott, Hayley S.; Mukherjee, Soumya; Turner, David R.; Polson, Matthew I. J.; Zaworotko, Michael J.; Kruger, Paul E.","Crystal engineering of dichromate pillared hybrid ultramicroporous materials incorporating pyrazole-based ligands","CrystEngComm","2018","20","9","1193","","10.1039/C8CE00149A","","","0.71073","synchrotron","","0.1119","0.095","","","0.2611","0.2747","","","","","","1.051","","","","has coordinates,has disorder","229078","2020-10-21","18:00:00",""
"7230122","29.746","0.006","7.8121","0.0016","19.757","0.004","90","","130.51","0.03","90","","3491","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H9 N13 O12 -","- C8 H9 N13 O12 -","- C64 H72 N104 O96 -","8","1","","Pan, Bochen; Dang, Leping; Wang, Zhanzhong; Jiang, Jun; Wei, Hongyuan","Preparation, crystal structure and solution-mediated phase transformation of a novel solid-state form of CL-20","CrystEngComm","2018","20","11","1553","","10.1039/C7CE02026K","","","0.71073","MoKα","","0.0479","0.0392","","","0.1286","0.135","","","","","","1.029","","","","has coordinates","229147","2020-10-21","18:00:00",""
"7230123","8.8819","0.0005","23.8685","0.0011","13.7122","0.0007","90","","91.846","0.004","90","","2905.4","0.3","290","2","290","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H68 Cl2 N8 O4 Pb -","- C62 H68 Cl2 N8 O4 Pb -","- C124 H136 Cl4 N16 O8 Pb2 -","2","0.5","","Ghanbari, Bahram; Shahhoseini, Leila; Owczarzak, Agata; Kubicki, Maciej; Kia, Reza; Raithby, Paul R.","Synthesis, X-ray crystallography, thermogravimetric analysis and spectroscopic characterization of isostructural one-dimensional coordination polymers as sorbents for some anions","CrystEngComm","2018","20","13","1783","","10.1039/C7CE02017A","","","0.7107","MoKα","","0.0628","0.0312","","","0.0459","0.0514","","","","","","0.946","","","","has coordinates","229062","2020-10-21","18:00:00",""
"7230124","8.5005","0.0002","23.2999","0.0006","13.6047","0.0003","90","","91.102","0.002","90","","2694.06","0.11","120","1","120","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H68 Cl2 Mn N8 O4 -","- C62 H68 Cl2 Mn N8 O4 -","- C124 H136 Cl4 Mn2 N16 O8 -","2","0.5","","Ghanbari, Bahram; Shahhoseini, Leila; Owczarzak, Agata; Kubicki, Maciej; Kia, Reza; Raithby, Paul R.","Synthesis, X-ray crystallography, thermogravimetric analysis and spectroscopic characterization of isostructural one-dimensional coordination polymers as sorbents for some anions","CrystEngComm","2018","20","13","1783","","10.1039/C7CE02017A","","x-ray","0.71073","MoKα","","0.0679","0.0434","","","0.0812","0.0917","","","","","","1.025","","","","has coordinates","229062","2020-10-21","18:00:00",""
"7230125","8.7177","0.0002","22.8785","0.0007","13.3318","0.0004","90","","91.452","0.002","90","","2658.15","0.13","130","1","130","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H68 Cl2 Cu N8 O4 -","- C62 H68 Cl2 Cu N8 O4 -","- C124 H136 Cl4 Cu2 N16 O8 -","2","0.5","","Ghanbari, Bahram; Shahhoseini, Leila; Owczarzak, Agata; Kubicki, Maciej; Kia, Reza; Raithby, Paul R.","Synthesis, X-ray crystallography, thermogravimetric analysis and spectroscopic characterization of isostructural one-dimensional coordination polymers as sorbents for some anions","CrystEngComm","2018","20","13","1783","","10.1039/C7CE02017A","","x-ray","1.54184","CuKα","","0.0677","0.0541","","","0.142","0.1517","","","","","","1.036","","","","has coordinates,has disorder","229062","2020-10-21","18:00:00",""
"7230126","8.4606","0.0003","23.1261","0.001","13.5197","0.0006","90","","90.899","0.005","90","","2644.95","0.19","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H68 Cl2 N8 Ni O4 -","- C62 H68 Cl2 N8 Ni O4 -","- C124 H136 Cl4 N16 Ni2 O8 -","2","0.5","","Ghanbari, Bahram; Shahhoseini, Leila; Owczarzak, Agata; Kubicki, Maciej; Kia, Reza; Raithby, Paul R.","Synthesis, X-ray crystallography, thermogravimetric analysis and spectroscopic characterization of isostructural one-dimensional coordination polymers as sorbents for some anions","CrystEngComm","2018","20","13","1783","","10.1039/C7CE02017A","","x-ray","0.71073","MoKα","","0.0794","0.0465","","","0.0776","0.0879","","","","","","1.014","","","","has coordinates","229062","2020-10-21","18:00:00",""
"7230127","8.5717","0.0001","23.4186","0.0003","13.6664","0.0002","90","","91.246","0.001","90","","2742.71","0.06","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H68 Cd Cl2 N8 O4 -","- C62 H68 Cd Cl2 N8 O4 -","- C124 H136 Cd2 Cl4 N16 O8 -","2","0.5","","Ghanbari, Bahram; Shahhoseini, Leila; Owczarzak, Agata; Kubicki, Maciej; Kia, Reza; Raithby, Paul R.","Synthesis, X-ray crystallography, thermogravimetric analysis and spectroscopic characterization of isostructural one-dimensional coordination polymers as sorbents for some anions","CrystEngComm","2018","20","13","1783","","10.1039/C7CE02017A","","x-ray","1.54184","CuKα","","0.0312","0.028","","","0.0649","0.0666","","","","","","1.055","","","","has coordinates","229062","2020-10-21","18:00:00",""
"7230128","10.0288","0.0003","16.1383","0.0005","16.1962","0.0005","90","","90.845","0.003","90","","2621.03","0.14","120","1","120","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H34 N4 O2 -","- C31 H34 N4 O2 -","- C124 H136 N16 O8 -","4","1","","Ghanbari, Bahram; Shahhoseini, Leila; Owczarzak, Agata; Kubicki, Maciej; Kia, Reza; Raithby, Paul R.","Synthesis, X-ray crystallography, thermogravimetric analysis and spectroscopic characterization of isostructural one-dimensional coordination polymers as sorbents for some anions","CrystEngComm","2018","20","13","1783","","10.1039/C7CE02017A","","x-ray","0.71073","MoKα","","0.0583","0.0391","","","0.0792","0.0863","","","","","","1.018","","","","has coordinates","229062","2020-10-21","18:00:00",""
"7230129","8.69","0.0002","23.6505","0.0004","13.7975","0.0003","90","","92.038","0.002","90","","2833.91","0.1","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H68 Cl2 N8 O4 Pb -","- C62 H68 Cl2 N8 O4 Pb -","- C124 H136 Cl4 N16 O8 Pb2 -","2","0.5","","Ghanbari, Bahram; Shahhoseini, Leila; Owczarzak, Agata; Kubicki, Maciej; Kia, Reza; Raithby, Paul R.","Synthesis, X-ray crystallography, thermogravimetric analysis and spectroscopic characterization of isostructural one-dimensional coordination polymers as sorbents for some anions","CrystEngComm","2018","20","13","1783","","10.1039/C7CE02017A","","x-ray","0.71073","MoKα","","0.05","0.029","","","0.0481","0.0522","","","","","","1.006","","","","has coordinates","229062","2020-10-21","18:00:00",""
"7230137","8.7634","0.0006","19.3464","0.0011","8.8479","0.0007","90","","96.305","0.007","90","","1491","0.18","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 N3 O4 -","- C15 H17 N3 O4 -","- C60 H68 N12 O16 -","4","1","","Pisk, Jana; Hrenar, Tomica; Rubčić, Mirta; Pavlović, Gordana; Damjanović, Vladimir; Lovrić, Jasna; Cindrić, Marina; Vrdoljak, Višnja","Comparative studies on conventional and solvent-free synthesis toward hydrazones: application of PXRD and chemometric data analysis in mechanochemical reaction monitoring","CrystEngComm","2018","20","13","1804","","10.1039/C7CE02136D","","","0.71073","MoKα","","0.095","0.0529","","","0.1132","0.1304","","","","","","1.016","","","","has coordinates","229058","2020-10-21","18:00:00",""
"7230138","18.819","0.002","12.3035","0.0008","15.245","0.002","90","","113.799","0.016","90","","3229.7","0.7","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 N3 O4 -","- C16 H19 N3 O4 -","- C128 H152 N24 O32 -","8","2","","Pisk, Jana; Hrenar, Tomica; Rubčić, Mirta; Pavlović, Gordana; Damjanović, Vladimir; Lovrić, Jasna; Cindrić, Marina; Vrdoljak, Višnja","Comparative studies on conventional and solvent-free synthesis toward hydrazones: application of PXRD and chemometric data analysis in mechanochemical reaction monitoring","CrystEngComm","2018","20","13","1804","","10.1039/C7CE02136D","","","0.71073","MoKα","","0.079","0.0488","","","0.093","0.1034","","","","","","1.024","","","","has coordinates","229058","2020-10-21","18:00:00",""
"7230139","20.911","0.002","5.3366","0.0005","10.8719","0.0009","90","","90","","90","","1213.23","0.19","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H13 N3 O2 -","- C14 H13 N3 O2 -","- C56 H52 N12 O8 -","4","1","","Pisk, Jana; Hrenar, Tomica; Rubčić, Mirta; Pavlović, Gordana; Damjanović, Vladimir; Lovrić, Jasna; Cindrić, Marina; Vrdoljak, Višnja","Comparative studies on conventional and solvent-free synthesis toward hydrazones: application of PXRD and chemometric data analysis in mechanochemical reaction monitoring","CrystEngComm","2018","20","13","1804","","10.1039/C7CE02136D","","","0.71073","MoKα","","0.0766","0.047","","","0.0698","0.0802","","","","","","0.992","","","","has coordinates","229058","2020-10-21","18:00:00",""
"7230140","9.8994","0.0007","6.8199","0.0003","20.3396","0.0015","90","","90","","90","","1373.19","0.15","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H15 N3 O3 -","- C15 H15 N3 O3 -","- C60 H60 N12 O12 -","4","1","","Pisk, Jana; Hrenar, Tomica; Rubčić, Mirta; Pavlović, Gordana; Damjanović, Vladimir; Lovrić, Jasna; Cindrić, Marina; Vrdoljak, Višnja","Comparative studies on conventional and solvent-free synthesis toward hydrazones: application of PXRD and chemometric data analysis in mechanochemical reaction monitoring","CrystEngComm","2018","20","13","1804","","10.1039/C7CE02136D","","","0.71073","MoKα","","0.0926","0.0535","","","0.0925","0.1075","","","","","","1.056","","","","has coordinates","229058","2020-10-21","18:00:00",""
"7230141","19.2494","0.001","12.8121","0.0006","15.0103","0.0007","90","","112.476","0.006","90","","3420.7","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 N3 O4 -","- C17 H21 N3 O4 -","- C136 H168 N24 O32 -","8","2","","Pisk, Jana; Hrenar, Tomica; Rubčić, Mirta; Pavlović, Gordana; Damjanović, Vladimir; Lovrić, Jasna; Cindrić, Marina; Vrdoljak, Višnja","Comparative studies on conventional and solvent-free synthesis toward hydrazones: application of PXRD and chemometric data analysis in mechanochemical reaction monitoring","CrystEngComm","2018","20","13","1804","","10.1039/C7CE02136D","","","0.71073","MoKα","","0.1202","0.0594","","","0.1142","0.1373","","","","","","0.984","","","","has coordinates","229058","2020-10-21","18:00:00",""
"7230142","24.185","0.003","12.6631","0.0018","4.7046","0.0008","90","","90","","90","","1440.8","0.4","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H17 N3 O4 -","- C15 H17 N3 O4 -","- C60 H68 N12 O16 -","4","1","","Pisk, Jana; Hrenar, Tomica; Rubčić, Mirta; Pavlović, Gordana; Damjanović, Vladimir; Lovrić, Jasna; Cindrić, Marina; Vrdoljak, Višnja","Comparative studies on conventional and solvent-free synthesis toward hydrazones: application of PXRD and chemometric data analysis in mechanochemical reaction monitoring","CrystEngComm","2018","20","13","1804","","10.1039/C7CE02136D","","","0.71073","MoKα","","0.2087","0.0769","","","0.078","0.1091","","","","","","0.929","","","","has coordinates","229058","2020-10-21","18:00:00",""
"7230143","15.6285","0.0005","12.4516","0.0004","7.3947","0.0003","90","","93.187","0.003","90","","1436.78","0.09","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 N3 O4 -","- C15 H17 N3 O4 -","- C60 H68 N12 O16 -","4","1","","Pisk, Jana; Hrenar, Tomica; Rubčić, Mirta; Pavlović, Gordana; Damjanović, Vladimir; Lovrić, Jasna; Cindrić, Marina; Vrdoljak, Višnja","Comparative studies on conventional and solvent-free synthesis toward hydrazones: application of PXRD and chemometric data analysis in mechanochemical reaction monitoring","CrystEngComm","2018","20","13","1804","","10.1039/C7CE02136D","","","0.71073","MoKα","","0.0651","0.0449","","","0.1046","0.1148","","","","","","1.032","","","","has coordinates","229058","2020-10-21","18:00:00",""
"7230144","11.9715","0.0005","12.5059","0.0006","9.371","0.0004","90","","97.453","0.004","90","","1391.12","0.11","296","2","296","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C15 H15 N3 O3 -","- C15 H15 N3 O3 -","- C60 H60 N12 O12 -","4","2","","Pisk, Jana; Hrenar, Tomica; Rubčić, Mirta; Pavlović, Gordana; Damjanović, Vladimir; Lovrić, Jasna; Cindrić, Marina; Vrdoljak, Višnja","Comparative studies on conventional and solvent-free synthesis toward hydrazones: application of PXRD and chemometric data analysis in mechanochemical reaction monitoring","CrystEngComm","2018","20","13","1804","","10.1039/C7CE02136D","","","0.71073","MoKα","","0.1242","0.0552","","","0.0779","0.0969","","","","","","0.971","","","","has coordinates","229058","2020-10-21","18:00:00",""
"7230145","4.9401","0.0005","27.416","0.003","15.4519","0.0014","90","","95.408","0.002","90","","2083.5","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 F2 N2 S2 -","- C24 H22 F2 N2 S2 -","- C96 H88 F8 N8 S8 -","4","1","","Song, Xiaoxian; Yu, Hanbo; Zhang, Yuewei; Miao, Yang; Ye, Kaiqi; Wang, Yue","Controllable morphology and self-assembly of one-dimensional luminescent crystals based on alkyl-fluoro-substituted dithienophenazines","CrystEngComm","2018","20","12","1669","","10.1039/C8CE00021B","","","0.71073","MoKα","","0.0715","0.0532","","","0.1152","0.1251","","","","","","1.09","","","","has coordinates","229156","2020-10-21","18:00:00",""
"7230146","4.9884","0.0002","20.5374","0.001","23.8286","0.0011","109.016","0.001","90.388","0.001","91.87","0.001","2306.37","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 F2 N2 S2 -","- C26 H26 F2 N2 S2 -","- C104 H104 F8 N8 S8 -","4","2","","Song, Xiaoxian; Yu, Hanbo; Zhang, Yuewei; Miao, Yang; Ye, Kaiqi; Wang, Yue","Controllable morphology and self-assembly of one-dimensional luminescent crystals based on alkyl-fluoro-substituted dithienophenazines","CrystEngComm","2018","20","12","1669","","10.1039/C8CE00021B","","","","","","0.0673","0.0594","","","0.1673","0.1769","","","","","","1.031","","","","has coordinates","229156","2020-10-21","18:00:00",""
"7230147","18.3461","0.0006","5.0761","0.0001","25.1208","0.0008","90","","99.433","0.001","90","","2307.78","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 F2 N2 S2 -","- C26 H26 F2 N2 S2 -","- C104 H104 F8 N8 S8 -","4","1","","Song, Xiaoxian; Yu, Hanbo; Zhang, Yuewei; Miao, Yang; Ye, Kaiqi; Wang, Yue","Controllable morphology and self-assembly of one-dimensional luminescent crystals based on alkyl-fluoro-substituted dithienophenazines","CrystEngComm","2018","20","12","1669","","10.1039/C8CE00021B","","","0.6229","","","0.0757","0.0734","","","0.1938","0.1991","","","","","","1.067","","","","has coordinates","229156","2020-10-21","18:00:00",""
"7230148","4.8908","0.0001","37.3867","0.0009","15.8515","0.0004","90","","95.896","0.001","90","","2883.13","0.12","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H37 F2 N2 S2 -","- C32 H38 F2 N2 S2 -","- C128 H152 F8 N8 S8 -","4","2","","Song, Xiaoxian; Yu, Hanbo; Zhang, Yuewei; Miao, Yang; Ye, Kaiqi; Wang, Yue","Controllable morphology and self-assembly of one-dimensional luminescent crystals based on alkyl-fluoro-substituted dithienophenazines","CrystEngComm","2018","20","12","1669","","10.1039/C8CE00021B","","","0.6229","","","0.0512","0.0498","","","0.1352","0.1363","","","","","","1.05","","","","has coordinates","229156","2020-10-21","18:00:00",""
"7230151","7.488","0.005","15.981","0.005","12.179","0.005","90","0.005","105.711","0.005","90","0.005","1403","1.2","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C15 H10 Cl2 N3 O2 -","- C15 H10 Cl2 N3 O2 -","- C60 H40 Cl8 N12 O8 -","4","0.5","","Molčanov, Krešimir; Stalke, Dietmar; Šantić, Ana; Demeshko, Serhiy; Stilinović, Vladimir; Mou, Zhongyu; Kertesz, Miklos; Kojić-Prodić, Biserka","Probing semiconductivity in crystals of stable semiquinone radicals: organic salts of 5,6-dichloro-2,3-dicyanosemiquinone (DDQ) radical anions","CrystEngComm","2018","20","13","1862","","10.1039/C7CE02146A","","","1.54179","CuKα","","0.189","0.17","","","","0.4811","","","","","","1.89","","","","has coordinates","229055","2020-10-21","18:00:00",""
"7230152","11.7214","0.0008","6.9671","0.0004","20.641","0.0013","90","","103.414","0.006","90","","1639.64","0.18","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H10 Cl2 N3 O4 -","- C16 H10 Cl2 N3 O4 -","- C64 H40 Cl8 N12 O16 -","4","1","","Molčanov, Krešimir; Stalke, Dietmar; Šantić, Ana; Demeshko, Serhiy; Stilinović, Vladimir; Mou, Zhongyu; Kertesz, Miklos; Kojić-Prodić, Biserka","Probing semiconductivity in crystals of stable semiquinone radicals: organic salts of 5,6-dichloro-2,3-dicyanosemiquinone (DDQ) radical anions","CrystEngComm","2018","20","13","1862","","10.1039/C7CE02146A","","","1.54184","CuKα","","0.0989","0.0963","","","","0.2569","","","","","","1.115","","","","has coordinates","229055","2020-10-21","18:00:00",""
"7230153","16.311","0.0003","13.4662","0.0002","14.4537","0.0002","90","","90","","90","","3174.71","0.09","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C16 H12 Cl2 N3 O2 -","- C16 H12 Cl2 N3 O2 -","- C128 H96 Cl16 N24 O16 -","8","1","","Molčanov, Krešimir; Stalke, Dietmar; Šantić, Ana; Demeshko, Serhiy; Stilinović, Vladimir; Mou, Zhongyu; Kertesz, Miklos; Kojić-Prodić, Biserka","Probing semiconductivity in crystals of stable semiquinone radicals: organic salts of 5,6-dichloro-2,3-dicyanosemiquinone (DDQ) radical anions","CrystEngComm","2018","20","13","1862","","10.1039/C7CE02146A","","","1.54184","CuKα","","0.0474","0.0437","","","","0.1256","","","","","","1.049","","","","has coordinates","229055","2020-10-21","18:00:00",""
"7230154","7.1343","0.0007","15.894","0.0014","11.519","0.0011","90","","98.678","0.008","90","","1291.2","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H6 Cl2 N3 O2 -","- C13 H6 Cl2 N3 O2 -","- C52 H24 Cl8 N12 O8 -","4","1","","Molčanov, Krešimir; Stalke, Dietmar; Šantić, Ana; Demeshko, Serhiy; Stilinović, Vladimir; Mou, Zhongyu; Kertesz, Miklos; Kojić-Prodić, Biserka","Probing semiconductivity in crystals of stable semiquinone radicals: organic salts of 5,6-dichloro-2,3-dicyanosemiquinone (DDQ) radical anions","CrystEngComm","2018","20","13","1862","","10.1039/C7CE02146A","","x-ray","1.54184","CuKα","","","0.0527","","","","0.1669","","","","","","1.04","","","","has coordinates","229055","2020-10-21","18:00:00",""
"7230155","6.8512","0.0001","11.0917","0.0001","19.146","0.0002","90","","94.392","0.001","90","","1450.66","0.03","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 Cl2 N3 O2 -","- C15 H10 Cl2 N3 O2 -","- C60 H40 Cl8 N12 O8 -","4","1","","Molčanov, Krešimir; Stalke, Dietmar; Šantić, Ana; Demeshko, Serhiy; Stilinović, Vladimir; Mou, Zhongyu; Kertesz, Miklos; Kojić-Prodić, Biserka","Probing semiconductivity in crystals of stable semiquinone radicals: organic salts of 5,6-dichloro-2,3-dicyanosemiquinone (DDQ) radical anions","CrystEngComm","2018","20","13","1862","","10.1039/C7CE02146A","","","1.54184","CuKα","","0.0464","0.0456","","","","0.118","","","","","","1.023","","","","has coordinates","229055","2020-10-21","18:00:00",""
"7230156","6.8797","0.0004","10.4684","0.0006","11.0184","0.0004","87.618","0.004","79.679","0.004","75.627","0.005","756.26","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H9 Cl2 N4 O3 -","- C15 H9 Cl2 N4 O3 -","- C30 H18 Cl4 N8 O6 -","2","1","","Molčanov, Krešimir; Stalke, Dietmar; Šantić, Ana; Demeshko, Serhiy; Stilinović, Vladimir; Mou, Zhongyu; Kertesz, Miklos; Kojić-Prodić, Biserka","Probing semiconductivity in crystals of stable semiquinone radicals: organic salts of 5,6-dichloro-2,3-dicyanosemiquinone (DDQ) radical anions","CrystEngComm","2018","20","13","1862","","10.1039/C7CE02146A","","","1.54184","CuKα","","0.048","0.0456","","","","0.137","","","","","","1.095","","","","has coordinates","229055","2020-10-21","18:00:00",""
"7230157","6.5095","0.0004","10.0244","0.0006","12.1968","0.0009","96.753","0.005","98.883","0.006","104.199","0.005","752.21","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H9 Cl2 N4 O2 -","- C17 H9 Cl2 N4 O2 -","- C34 H18 Cl4 N8 O4 -","2","1","","Molčanov, Krešimir; Stalke, Dietmar; Šantić, Ana; Demeshko, Serhiy; Stilinović, Vladimir; Mou, Zhongyu; Kertesz, Miklos; Kojić-Prodić, Biserka","Probing semiconductivity in crystals of stable semiquinone radicals: organic salts of 5,6-dichloro-2,3-dicyanosemiquinone (DDQ) radical anions","CrystEngComm","2018","20","13","1862","","10.1039/C7CE02146A","","","1.54184","CuKα","","0.1559","0.1478","","","","0.3196","","","","","","1.172","","","","has coordinates,has disorder","229055","2020-10-21","18:00:00",""
"7230158","6.87171","0.00007","10.10504","0.00009","20.5512","0.0002","90","","94.6882","0.0009","90","","1422.28","0.02","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H7 Cl2 N4 O2 -","- C15 H7 Cl2 N4 O2 -","- C60 H28 Cl8 N16 O8 -","4","1","","Molčanov, Krešimir; Stalke, Dietmar; Šantić, Ana; Demeshko, Serhiy; Stilinović, Vladimir; Mou, Zhongyu; Kertesz, Miklos; Kojić-Prodić, Biserka","Probing semiconductivity in crystals of stable semiquinone radicals: organic salts of 5,6-dichloro-2,3-dicyanosemiquinone (DDQ) radical anions","CrystEngComm","2018","20","13","1862","","10.1039/C7CE02146A","","","1.54184","CuKα","","0.0302","0.0292","","","","0.0815","","","","","","1.069","","","","has coordinates","229055","2020-10-21","18:00:00",""
"7230159","19.9026","0.0002","6.7671","0.0001","23.9113","0.0002","90","","104.552","0.001","90","","3117.13","0.06","100","2","100","2","","","","","","","","5","I 1 a 1","I -2ya","9","","","","- C16 H10 Cl2 N3 O4 -","- C16 H10 Cl2 N3 O4 -","- C128 H80 Cl16 N24 O32 -","8","2","","Molčanov, Krešimir; Stalke, Dietmar; Šantić, Ana; Demeshko, Serhiy; Stilinović, Vladimir; Mou, Zhongyu; Kertesz, Miklos; Kojić-Prodić, Biserka","Probing semiconductivity in crystals of stable semiquinone radicals: organic salts of 5,6-dichloro-2,3-dicyanosemiquinone (DDQ) radical anions","CrystEngComm","2018","20","13","1862","","10.1039/C7CE02146A","","","1.54179","CuKα","","0.0335","0.0332","","","","0.087","","","","","","0.898","","","","has coordinates","229055","2020-10-21","18:00:00",""
"7230160","6.4226","0.0003","11.3416","0.0004","20.4418","0.0008","90","","91.438","0.004","90","","1488.56","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H9 Cl2 N4 O3 -","- C15 H9 Cl2 N4 O3 -","- C60 H36 Cl8 N16 O12 -","4","1","","Molčanov, Krešimir; Stalke, Dietmar; Šantić, Ana; Demeshko, Serhiy; Stilinović, Vladimir; Mou, Zhongyu; Kertesz, Miklos; Kojić-Prodić, Biserka","Probing semiconductivity in crystals of stable semiquinone radicals: organic salts of 5,6-dichloro-2,3-dicyanosemiquinone (DDQ) radical anions","CrystEngComm","2018","20","13","1862","","10.1039/C7CE02146A","","","1.54179","CuKα","","0.0629","0.0567","","","","0.1636","","","","","","1.068","","","","has coordinates","229055","2020-10-21","18:00:00",""
"7230174","12.4225","0.0007","13.0816","0.0009","15.8045","0.0009","66.69","0.006","72.34","0.005","84.193","0.005","2247","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H50 Cu3 N6 O9 S2 -","- C44 H49.9998 Cu3 N6 O9 S2 -","- C88 H99.9996 Cu6 N12 O18 S4 -","2","1","","Roy, Sourav; Drew, Michael G. B.; Bauzá, Antonio; Frontera, Antonio; Chattopadhyay, Shouvik","Formation of a water-mediated assembly of two neutral copper(ii) Schiff base fragments with a Cu2(NCS)4moiety: exploration of non-covalent C‒H⋯π(bimetallo ring) interactions","CrystEngComm","2018","20","12","1679","","10.1039/C7CE01473B","","","0.71073","MoKα","","0.0803","0.0551","","","0.0921","0.0998","","","","","","1.058","","","","has coordinates","229157","2020-10-21","18:00:00",""
"7230178","11.1999","0.0018","17.297","0.003","14.0431","0.0019","90","","124.762","0.009","90","","2235","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H40 Cu4 N10 O19 -","- C26 H26 Cu4 N10 O19 -","- C52 H52 Cu8 N20 O38 -","2","0.5","","Zhang, Xiu-Mei; Liu, Feng; Gao, Wei; Huang, Hong; Liu, Jie-Ping","Six novel coordination polymers based on the 5-(1H-tetrazol-5-yl)isophthalic acid ligand: structures, luminescence, and magnetic properties","CrystEngComm","2018","20","14","1985","","10.1039/C8CE00030A","","","0.71073","MoKα","","0.0747","0.0482","","","0.111","0.1217","","","","","","1.092","","","","has coordinates","229068","2020-10-21","18:00:00",""
"7230179","12.3214","0.0008","14.7121","0.001","6.7818","0.0005","90","","98.908","0.002","90","","1214.53","0.15","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 Co2 N4 O7 -","- C9 H8 Co2 N4 O7 -","- C36 H32 Co8 N16 O28 -","4","1","","Zhang, Xiu-Mei; Liu, Feng; Gao, Wei; Huang, Hong; Liu, Jie-Ping","Six novel coordination polymers based on the 5-(1H-tetrazol-5-yl)isophthalic acid ligand: structures, luminescence, and magnetic properties","CrystEngComm","2018","20","14","1985","","10.1039/C8CE00030A","","","0.71073","MoKα","","0.0399","0.0307","","","0.0791","0.0839","","","","","","1.091","","","","has coordinates","229068","2020-10-21","18:00:00",""
"7230180","7.6026","0.0003","10.2758","0.0004","15.0264","0.0006","93.07","0.001","92.068","0.001","108.426","0.001","1110.38","0.08","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 N6 O7 Zn2 -","- C21 H14 N6 O7 Zn2 -","- C42 H28 N12 O14 Zn4 -","2","1","","Zhang, Xiu-Mei; Liu, Feng; Gao, Wei; Huang, Hong; Liu, Jie-Ping","Six novel coordination polymers based on the 5-(1H-tetrazol-5-yl)isophthalic acid ligand: structures, luminescence, and magnetic properties","CrystEngComm","2018","20","14","1985","","10.1039/C8CE00030A","","","0.71073","MoKα","","0.028","0.0241","","","0.0618","0.0642","","","","","","1.08","","","","has coordinates","229068","2020-10-21","18:00:00",""
"7230181","13.427","0.0014","17.2924","0.0019","9.1168","0.0011","90","","107.616","0.004","90","","2017.5","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 N6 O6 Zn2 -","- C19 H13 N6 O6 Zn2 -","- C76 H52 N24 O24 Zn8 -","4","1","","Zhang, Xiu-Mei; Liu, Feng; Gao, Wei; Huang, Hong; Liu, Jie-Ping","Six novel coordination polymers based on the 5-(1H-tetrazol-5-yl)isophthalic acid ligand: structures, luminescence, and magnetic properties","CrystEngComm","2018","20","14","1985","","10.1039/C8CE00030A","","","0.71073","MoKα","","0.0536","0.0349","","","0.0798","0.0877","","","","","","1.039","","","","has coordinates","229068","2020-10-21","18:00:00",""
"7230182","7.9093","0.0014","8.4758","0.0014","11.879","0.002","105.314","0.005","105.849","0.006","94.385","0.006","729.3","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H8 N5 O5 Zn2 -","- C14 H8 N5 O5 Zn2 -","- C28 H16 N10 O10 Zn4 -","2","1","","Zhang, Xiu-Mei; Liu, Feng; Gao, Wei; Huang, Hong; Liu, Jie-Ping","Six novel coordination polymers based on the 5-(1H-tetrazol-5-yl)isophthalic acid ligand: structures, luminescence, and magnetic properties","CrystEngComm","2018","20","14","1985","","10.1039/C8CE00030A","","","0.71073","MoKα","","0.0329","0.0267","","","0.0634","0.0662","","","","","","1.056","","","","has coordinates","229068","2020-10-21","18:00:00",""
"7230183","6.9787","0.0008","19.687","0.002","11.6833","0.0011","90","","92.269","0.004","90","","1603.9","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 Mn2 N5 O6 -","- C13 H12 Mn2 N5 O6 -","- C52 H48 Mn8 N20 O24 -","4","1","","Zhang, Xiu-Mei; Liu, Feng; Gao, Wei; Huang, Hong; Liu, Jie-Ping","Six novel coordination polymers based on the 5-(1H-tetrazol-5-yl)isophthalic acid ligand: structures, luminescence, and magnetic properties","CrystEngComm","2018","20","14","1985","","10.1039/C8CE00030A","","","0.71073","MoKα","","0.0399","0.0327","","","0.0813","0.0844","","","","","","1.091","","","","has coordinates","229068","2020-10-21","18:00:00",""
"7230185","7.5803","0.0007","10.411","0.001","19.476","0.002","90","","97.922","0.003","90","","1522.3","0.3","222","2","222.38","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H18 N4 O6 S -","- C13 H18 N4 O6 S -","- C52 H72 N16 O24 S4 -","4","1","","Fu, Qiang; Xu, Xi-kun; Liu, Bao-kai; Guo, Fang","Solid state transformations of different stoichiometric forms of an organic salt formed from 5-sulfosalicylic acid and hexamethylenetetramine upon dehydration and rehydration","CrystEngComm","2018","20","13","1844","","10.1039/C8CE00022K","","","0.71073","MoKα","","0.0521","0.0388","","","0.0961","0.103","","","","","","1.034","","","","has coordinates","229061","2020-10-21","18:00:00",""
"7230186","15.0591","0.0011","6.7221","0.0005","16.0418","0.0012","90","","90","","90","","1623.9","0.2","172","2","172.53","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C13 H20 N4 O7 S -","- C13 H20 N4 O7 S -","- C52 H80 N16 O28 S4 -","4","0.5","","Fu, Qiang; Xu, Xi-kun; Liu, Bao-kai; Guo, Fang","Solid state transformations of different stoichiometric forms of an organic salt formed from 5-sulfosalicylic acid and hexamethylenetetramine upon dehydration and rehydration","CrystEngComm","2018","20","13","1844","","10.1039/C8CE00022K","","","0.71073","MoKα","","0.0367","0.034","","","0.0845","0.0867","","","","","","1.097","","","","has coordinates","229061","2020-10-21","18:00:00",""
"7230187","10.8939","0.0007","12.2771","0.0009","16.6849","0.0013","90","","90","","90","","2231.5","0.3","222","2","222.14","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H30 N8 O6 S -","- C19 H30 N8 O6 S -","- C76 H120 N32 O24 S4 -","4","1","","Fu, Qiang; Xu, Xi-kun; Liu, Bao-kai; Guo, Fang","Solid state transformations of different stoichiometric forms of an organic salt formed from 5-sulfosalicylic acid and hexamethylenetetramine upon dehydration and rehydration","CrystEngComm","2018","20","13","1844","","10.1039/C8CE00022K","","","0.71073","MoKα","","0.0842","0.0627","","","0.1202","0.1295","","","","","","1.123","","","","has coordinates","229061","2020-10-21","18:00:00",""
"7230188","6.2433","0.0014","35.039","0.009","10.477","0.003","90","","94.424","0.009","90","","2285.1","1","172","2","172.13","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H32 N8 O7 S -","- C19 H32 N8 O7 S -","- C76 H128 N32 O28 S4 -","4","1","","Fu, Qiang; Xu, Xi-kun; Liu, Bao-kai; Guo, Fang","Solid state transformations of different stoichiometric forms of an organic salt formed from 5-sulfosalicylic acid and hexamethylenetetramine upon dehydration and rehydration","CrystEngComm","2018","20","13","1844","","10.1039/C8CE00022K","","","0.71073","MoKα","","0.0431","0.039","","","0.0983","0.1004","","","","","","1.159","","","","has coordinates","229061","2020-10-21","18:00:00",""
"7230199","10.687","0.0006","11.1135","0.0007","14.7255","0.0009","83.684","0.001","77.214","0.001","63.156","0.001","1521.68","0.16","150","","150","","","","","","","","","7","P -1","-P 1","2","","Di-m-phenylthio-bis(cyclopentadienyl carbonyl iron)","","- C15 H10 F2 Fe I O S -","- C15 H10 F2 Fe I O S -","- C60 H40 F8 Fe4 I4 O4 S4 -","4","2","","Torubaev, Yury V.; Skabitskiy, Ivan V.; Rusina, Polina; Pasynskii, Alexander A.; Rai, Dhirendra K.; Singh, Ajeet","Organometallic halogen bond acceptors: directionality, hybrid cocrystal precipitation, and blueshifted CO ligand vibrational band","CrystEngComm","2018","20","16","2258","","10.1039/C7CE02185B","","","0.71073","MoKα","","0.0619","0.037","","","0.0651","0.0731","","","","","","0.996","","","","has coordinates","229020","2020-10-21","18:00:00",""
"7230200","8.0151","0.0004","8.2003","0.0005","10.3911","0.0006","105.477","0.001","93.469","0.001","95.421","0.001","652.64","0.06","150","","150","","","","","","","","","6","P -1","-P 1","2","","Dicarbonyl-(h5-cyclopentadienyl)-iodoiron 1,2,4,5-tetrafluoro-3,6-diiodobenzene","","- C10 H5 F2 Fe I2 O2 -","- C10 H5 F2 Fe I2 O2 -","- C20 H10 F4 Fe2 I4 O4 -","2","1","","Torubaev, Yury V.; Skabitskiy, Ivan V.; Rusina, Polina; Pasynskii, Alexander A.; Rai, Dhirendra K.; Singh, Ajeet","Organometallic halogen bond acceptors: directionality, hybrid cocrystal precipitation, and blueshifted CO ligand vibrational band","CrystEngComm","2018","20","16","2258","","10.1039/C7CE02185B","","","0.71073","MoKα","","0.0275","0.0258","","","0.0654","0.0665","","","","","","1.059","","","","has coordinates","229020","2020-10-21","18:00:00",""
"7230201","19.16","0.03","7.157","0.011","24.99","0.04","90","","90","","90","","3427","9","423","2","423.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","Dicarbonyl-(h5-cyclopentadienyl)-chloro-iron 1,2,4,5-tetrafluoro-3,6-diiodobenzene","","- C13 H5 Cl F4 Fe I2 O2 -","- C13 H5 Cl F4 Fe I2 O2 -","- C104 H40 Cl8 F32 Fe8 I16 O16 -","8","1","","Torubaev, Yury V.; Skabitskiy, Ivan V.; Rusina, Polina; Pasynskii, Alexander A.; Rai, Dhirendra K.; Singh, Ajeet","Organometallic halogen bond acceptors: directionality, hybrid cocrystal precipitation, and blueshifted CO ligand vibrational band","CrystEngComm","2018","20","16","2258","","10.1039/C7CE02185B","","","0.71073","MoKα","","0.0491","0.029","","","0.0561","0.0631","","","","","","1.01","","","","has coordinates","229020","2020-10-21","18:00:00",""
"7230202","14.137","0.005","10.691","0.003","13.803","0.004","90","","95.373","0.005","90","","2077","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dicarbonyl-(h4-tetramethylbutadiene)-iodo-cobalt 1,2,4,5-tetrafluoro-3,6-diiodobenzene","","- C16 H12 Co F4 I3 O2 -","- C16 H12 Co F4 I3 O2 -","- C64 H48 Co4 F16 I12 O8 -","4","1","","Torubaev, Yury V.; Skabitskiy, Ivan V.; Rusina, Polina; Pasynskii, Alexander A.; Rai, Dhirendra K.; Singh, Ajeet","Organometallic halogen bond acceptors: directionality, hybrid cocrystal precipitation, and blueshifted CO ligand vibrational band","CrystEngComm","2018","20","16","2258","","10.1039/C7CE02185B","","","0.71073","MoKα","","0.043","0.0383","","","0.0953","0.1021","","","","","","1.086","","","","has coordinates","229020","2020-10-21","18:00:00",""
"7230203","14.066","0.004","13.931","0.004","14.062","0.004","90","","117.28","0.005","90","","2449","1.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dicarbonyl-(h4-tetramethylbutadiene)-iodo-cobalt","","- C10 H12 Co I O2 -","- C10 H12 Co I O2 -","- C80 H96 Co8 I8 O16 -","8","2","","Torubaev, Yury V.; Skabitskiy, Ivan V.; Rusina, Polina; Pasynskii, Alexander A.; Rai, Dhirendra K.; Singh, Ajeet","Organometallic halogen bond acceptors: directionality, hybrid cocrystal precipitation, and blueshifted CO ligand vibrational band","CrystEngComm","2018","20","16","2258","","10.1039/C7CE02185B","","","0.71073","MoKα","","0.0796","0.0489","","","0.0901","0.1028","","","","","","1.014","","","","has coordinates","229020","2020-10-21","18:00:00",""
"7230204","19.1299","0.0009","7.1259","0.0003","25.1867","0.0012","90","","90","","90","","3433.4","0.3","150","","150","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","Dicarbonyl-(h5-cyclopentadienyl)-bromo-iron 1,2,4,5-tetrafluoro-3,6-diiodobenzene","","- C13 H5 Br F4 Fe I2 O2 -","- C13 H5 Br F4 Fe I2 O2 -","- C104 H40 Br8 F32 Fe8 I16 O16 -","8","1","","Torubaev, Yury V.; Skabitskiy, Ivan V.; Rusina, Polina; Pasynskii, Alexander A.; Rai, Dhirendra K.; Singh, Ajeet","Organometallic halogen bond acceptors: directionality, hybrid cocrystal precipitation, and blueshifted CO ligand vibrational band","CrystEngComm","2018","20","16","2258","","10.1039/C7CE02185B","","","0.71073","MoKα","","0.0316","0.0227","","","0.0468","0.0499","","","","","","1.049","","","","has coordinates","229020","2020-10-21","18:00:00",""
"7230205","13.528","0.0004","11.6432","0.0004","11.7133","0.0004","90","","114.974","","90","","1672.45","0.09","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Dicarbonyl-(h5-cyclopentadienyl)-telleurophenyl-iron 1,2,4,5-tetrafluoro-3,6-diiodobenzene","","- C16 H10 F2 Fe I O2 Te -","- C16 H10 F2 Fe I O2 Te -","- C64 H40 F8 Fe4 I4 O8 Te4 -","4","1","","Torubaev, Yury V.; Skabitskiy, Ivan V.; Rusina, Polina; Pasynskii, Alexander A.; Rai, Dhirendra K.; Singh, Ajeet","Organometallic halogen bond acceptors: directionality, hybrid cocrystal precipitation, and blueshifted CO ligand vibrational band","CrystEngComm","2018","20","16","2258","","10.1039/C7CE02185B","","","0.71073","MoKα","","0.0212","0.0183","","","0.0419","0.0431","","","","","","1.0103","","","","has coordinates","229020","2020-10-21","18:00:00",""
"7230206","7.527","0.0004","14.1483","0.0009","34.3682","0.0019","90","","90","","90","","3660","0.4","93","2","93","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Metoclopramide hydrochloride oxalic acid","4-Amino-5-chloro-N-(2-(diethylamino)ethyl)-2-methoxybenzamide hydrochloride oxalic acid","","- C15 H24 Cl2 N3 O4 -","- C15 H24 Cl2 N3 O4 -","- C120 H192 Cl16 N24 O32 -","8","1","","Nugraha, Yuda Prasetya; Uekusa, Hidehiro","Suppressed hydration in metoclopramide hydrochloride by salt cocrystallisation","CrystEngComm","2018","20","19","2653","","10.1039/C8CE00129D","","","0.71075","MoKα","","0.0488","0.0384","","","0.0875","0.0928","","","","","","1.123","","","","has coordinates","229015","2020-10-21","18:00:00",""
"7230207","12.1124","0.0017","8.5524","0.0012","16.849","0.003","90","","98.605","0.007","90","","1725.7","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Metoclopramide HCl Monohydrate","4-Amino-5-chloro-N-((2-diethylamino)-ethyl)-2-methoxybenzamide hydrochloride monohydrate","","- C14 H25 Cl2 N3 O3 -","- C14 H25 Cl2 N3 O3 -","- C56 H100 Cl8 N12 O12 -","4","1","","Nugraha, Yuda Prasetya; Uekusa, Hidehiro","Suppressed hydration in metoclopramide hydrochloride by salt cocrystallisation","CrystEngComm","2018","20","19","2653","","10.1039/C8CE00129D","","","0.71075","MoKα","","0.0394","0.0318","","","0.0737","0.0772","","","","","","1.045","","","","has coordinates","229015","2020-10-21","18:00:00",""
"7230208","14.6866","0.0004","7.0245","0.0002","33.0316","0.0009","90","","90","","90","","3407.74","0.16","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Metoclopramide HCl anhydrate","4-Amino-5-chloro-N-((2-diethylamino)-ethyl)-2-methoxybenzamide hydrochloride monohydrate","","- C14 H23 Cl2 N3 O2 -","- C14 H23 Cl2 N3 O2 -","- C112 H184 Cl16 N24 O16 -","8","1","","Nugraha, Yuda Prasetya; Uekusa, Hidehiro","Suppressed hydration in metoclopramide hydrochloride by salt cocrystallisation","CrystEngComm","2018","20","19","2653","","10.1039/C8CE00129D","","","1.54186","CuKα","","0.1485","0.0819","","","0.1996","0.2502","","","","","","0.98","","","","has coordinates","229015","2020-10-21","18:00:00",""
"7230210","33.6175","0.0018","33.6175","0.0018","20.9185","0.0013","90","","90","","120","","20473","2","173.15","","173.15","","","","","","","","","3","R -3","-R 3","148","","","","- C41 H59.33 O12.67 -","- C41 H56 O12.6667 -","- C738 H1008 O228 -","18","","","Payne, Richard M.; Oliver, Clive L.","A propanol-seamed C-methylcalix[4]resorcinarene hexamer accessible via solution crystallization, liquid-assisted grinding and vapour sorption","CrystEngComm","2018","","","","","10.1039/C8CE00294K","","","0.71073","MoKα","","0.2085","0.1158","","","0.3286","0.3975","","","","","","1.165","","","","has coordinates,has disorder","206743","2020-10-21","18:00:00",""
"7230211","7.431","0.0015","8.7786","0.0018","10.589","0.002","87.15","0.03","82.23","0.03","82.29","0.03","677.9","0.2","170","0.1","170","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C20 H12 Cl8 Cu2 F4 N4 -","- C20 H12 Cl8 Cu2 F4 N4 -","- C20 H12 Cl8 Cu2 F4 N4 -","1","0.5","","Puttreddy, Rakesh; von Essen, Carolina; Peuronen, Anssi; Lahtinen, Manu; Rissanen, Kari","Halogen bonds in 2,5-dihalopyridine-copper(ii) chloride complexes","CrystEngComm","2018","20","14","1954","","10.1039/C8CE00209F","","","0.71073","MoKα","","0.0559","0.0406","","","0.0825","0.0887","","","","","","1.063","","","","has coordinates","229064","2020-10-21","18:00:00",""
"7230212","14.396","0.003","14.183","0.003","15.458","0.003","90","","114.23","0.03","90","","2878.1","1.2","170","0.1","170","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C20 H12 Cl12 Cu2 N4 -","- C20 H12 Cl12 Cu2 N4 -","- C80 H48 Cl48 Cu8 N16 -","4","0.5","","Puttreddy, Rakesh; von Essen, Carolina; Peuronen, Anssi; Lahtinen, Manu; Rissanen, Kari","Halogen bonds in 2,5-dihalopyridine-copper(ii) chloride complexes","CrystEngComm","2018","20","14","1954","","10.1039/C8CE00209F","","","0.71073","MoKα","","0.0237","0.0202","","","0.0503","0.052","","","","","","1.037","","","","has coordinates","229064","2020-10-21","18:00:00",""
"7230213","8.2021","0.0004","12.8425","0.0007","14.6338","0.0006","90","","91.109","0.005","90","","1541.17","0.13","120","0.1","120","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H6 Br4 Cl2 Cu N2 -","- C10 H6 Br4 Cl2 Cu N2 -","- C40 H24 Br16 Cl8 Cu4 N8 -","4","0.5","","Puttreddy, Rakesh; von Essen, Carolina; Peuronen, Anssi; Lahtinen, Manu; Rissanen, Kari","Halogen bonds in 2,5-dihalopyridine-copper(ii) chloride complexes","CrystEngComm","2018","20","14","1954","","10.1039/C8CE00209F","","","1.54184","CuKα","","0.0446","0.0419","","","0.1009","0.1032","","","","","","1.077","","","","has coordinates","229064","2020-10-21","18:00:00",""
"7230214","3.7208","0.0001","15.9058","0.0005","11.7364","0.0005","90","","94.532","0.003","90","","692.42","0.04","120","0.1","120","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Cl2 Cu F2 N2 -","- C10 H8 Cl2 Cu F2 N2 -","- C20 H16 Cl4 Cu2 F4 N4 -","2","0.5","","Puttreddy, Rakesh; von Essen, Carolina; Peuronen, Anssi; Lahtinen, Manu; Rissanen, Kari","Halogen bonds in 2,5-dihalopyridine-copper(ii) chloride complexes","CrystEngComm","2018","20","14","1954","","10.1039/C8CE00209F","","x-ray","0.71073","MoKα","","0.1281","0.1171","","","0.2838","0.3002","","","","","","1.323","","","","has coordinates","229064","2020-10-21","18:00:00",""
"7230215","8.1656","0.0016","12.708","0.003","14.591","0.003","90","","91.79","0.03","90","","1513.3","0.6","170","0.1","170","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H6 Br2 Cl4 Cu N2 -","- C10 H6 Br2 Cl4 Cu N2 -","- C40 H24 Br8 Cl16 Cu4 N8 -","4","0.5","","Puttreddy, Rakesh; von Essen, Carolina; Peuronen, Anssi; Lahtinen, Manu; Rissanen, Kari","Halogen bonds in 2,5-dihalopyridine-copper(ii) chloride complexes","CrystEngComm","2018","20","14","1954","","10.1039/C8CE00209F","","","0.71073","MoKα","","0.0277","0.0237","","","0.0526","0.0543","","","","","","1.06","","","","has coordinates","229064","2020-10-21","18:00:00",""
"7230216","8.4827","0.0017","13.075","0.003","14.721","0.003","90","","90.35","0.03","90","","1632.7","0.6","170","0.1","170","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C10 H6 Br2 Cl2 Cu I2 N2 -","- C10 H6 Br2 Cl2 Cu I2 N2 -","- C40 H24 Br8 Cl8 Cu4 I8 N8 -","4","0.5","","Puttreddy, Rakesh; von Essen, Carolina; Peuronen, Anssi; Lahtinen, Manu; Rissanen, Kari","Halogen bonds in 2,5-dihalopyridine-copper(ii) chloride complexes","CrystEngComm","2018","20","14","1954","","10.1039/C8CE00209F","","","0.71073","MoKα","","0.0316","0.0243","","","0.0495","0.0514","","","","","","1.051","","","","has coordinates","229064","2020-10-21","18:00:00",""
"7230217","7.8894","0.0016","14.316","0.003","13.494","0.003","90","","92.06","0.03","90","","1523.1","0.6","170","0.1","170","0.1","","","","","","","","6","I 1 2/m 1","-I 2y","12","","","","- C20 H12 Br4 Cl8 Cu2 N4 -","- C20 H12 Br4 Cl8 Cu2 N4 -","- C40 H24 Br8 Cl16 Cu4 N8 -","2","0.25","","Puttreddy, Rakesh; von Essen, Carolina; Peuronen, Anssi; Lahtinen, Manu; Rissanen, Kari","Halogen bonds in 2,5-dihalopyridine-copper(ii) chloride complexes","CrystEngComm","2018","20","14","1954","","10.1039/C8CE00209F","","","0.71073","MoKα","","0.0259","0.0212","","","0.045","0.0466","","","","","","1.051","","","","has coordinates","229064","2020-10-21","18:00:00",""
"7230218","4.0102","0.0007","8.4892","0.0013","10.1403","0.0013","90.863","0.012","92.738","0.013","97.811","0.014","341.54","0.09","120","0.1","120","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C10 H8 Cl2 Cu I2 N2 -","- C10 H8 Cl2 Cu I2 N2 -","- C10 H8 Cl2 Cu I2 N2 -","1","0.5","","Puttreddy, Rakesh; von Essen, Carolina; Peuronen, Anssi; Lahtinen, Manu; Rissanen, Kari","Halogen bonds in 2,5-dihalopyridine-copper(ii) chloride complexes","CrystEngComm","2018","20","14","1954","","10.1039/C8CE00209F","","x-ray","0.71073","MoKα","","0.0307","0.0263","","","0.0582","0.0608","","","","","","1.092","","","","has coordinates","229064","2020-10-21","18:00:00",""
"7230219","5.7104","0.0011","11.981","0.002","10.478","0.002","90","","103.66","0.03","90","","696.6","0.2","170","0.1","170","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6 Br2 Cl2 Cu F2 N2 -","- C10 H6 Br2 Cl2 Cu F2 N2 -","- C20 H12 Br4 Cl4 Cu2 F4 N4 -","2","0.5","","Puttreddy, Rakesh; von Essen, Carolina; Peuronen, Anssi; Lahtinen, Manu; Rissanen, Kari","Halogen bonds in 2,5-dihalopyridine-copper(ii) chloride complexes","CrystEngComm","2018","20","14","1954","","10.1039/C8CE00209F","","","0.71073","MoKα","","0.0261","0.0206","","","0.0471","0.0488","","","","","","1.042","","","","has coordinates","229064","2020-10-21","18:00:00",""
"7230220","14.946","0.003","15.233","0.003","6.7384","0.0013","90","","91.82","0.03","90","","1533.4","0.5","170","0.1","170","0.1","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C20 H12 Br4 Cl4 Cu2 F4 N4 -","- C20 H12 Br4 Cl4 Cu2 F4 N4 -","- C40 H24 Br8 Cl8 Cu4 F8 N8 -","2","0.25","","Puttreddy, Rakesh; von Essen, Carolina; Peuronen, Anssi; Lahtinen, Manu; Rissanen, Kari","Halogen bonds in 2,5-dihalopyridine-copper(ii) chloride complexes","CrystEngComm","2018","20","14","1954","","10.1039/C8CE00209F","","","0.71073","MoKα","","0.0226","0.0197","","","0.0473","0.0483","","","","","","1.079","","","","has coordinates","229064","2020-10-21","18:00:00",""
"7230221","8.3678","0.0017","13.106","0.003","14.7","0.003","90","","90.12","0.03","90","","1612.1","0.6","170","0.1","170","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H6 Cl4 Cu I2 N2 -","- C10 H6 Cl4 Cu I2 N2 -","- C40 H24 Cl16 Cu4 I8 N8 -","4","0.5","","Puttreddy, Rakesh; von Essen, Carolina; Peuronen, Anssi; Lahtinen, Manu; Rissanen, Kari","Halogen bonds in 2,5-dihalopyridine-copper(ii) chloride complexes","CrystEngComm","2018","20","14","1954","","10.1039/C8CE00209F","","","0.71073","MoKα","","0.0434","0.0291","","","0.0503","0.0537","","","","","","1.02","","","","has coordinates","229064","2020-10-21","18:00:00",""
"7230222","8.0829","0.0016","14.605","0.003","13.664","0.003","90","","91.89","0.03","90","","1612.2","0.6","170","0.1","170","0.1","","","","","","","","6","I 1 2/m 1","-I 2y","12","","","","- C20 H12 Cl8 Cu2 I4 N4 -","- C20 H12 Cl8 Cu2 I4 N4 -","- C40 H24 Cl16 Cu4 I8 N8 -","2","0.25","","Puttreddy, Rakesh; von Essen, Carolina; Peuronen, Anssi; Lahtinen, Manu; Rissanen, Kari","Halogen bonds in 2,5-dihalopyridine-copper(ii) chloride complexes","CrystEngComm","2018","20","14","1954","","10.1039/C8CE00209F","","","0.71073","MoKα","","0.0215","0.0192","","","0.043","0.044","","","","","","1.067","","","","has coordinates","229064","2020-10-21","18:00:00",""
"7230223","7.31","0.003","11.315","0.004","13.857","0.005","71.67","0.03","89.38","0.03","77.11","0.03","1058.4","0.7","240.01","0.1","240.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C6 H14 Bi2 Cl8 N4 O2 -","- C6 H14 Bi2 Cl8 N4 O2 -","- C12 H28 Bi4 Cl16 N8 O4 -","2","1","","Piecha-Bisiorek, Anna; Mencel, Klaudia; Kinzhybalo, Vasyl; Szota, Aleksandra; Jakubas, Ryszard; Medycki, Wojciech; Zawrocki, Wiktor","Ferroelasticity and piezoelectricity of organic‒inorganic hybrid materials with a one-dimensional anionic structure: so similar, yet so different","CrystEngComm","2018","20","15","2112","","10.1039/C8CE00140E","","","0.71073","MoKα","","0.038","0.0268","","","0.0502","0.0541","","","","","","1.052","","","","has coordinates","229092","2020-10-21","18:00:00",""
"7230224","7.449","0.003","13.654","0.004","20.679","0.006","90","","90","","90","","2103.2","1.2","100","2","100.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C6 H14 Cl8 N4 O2 Sb2 -","- C6 H14 Cl8 N4 O2 Sb2 -","- C24 H56 Cl32 N16 O8 Sb8 -","4","1","","Piecha-Bisiorek, Anna; Mencel, Klaudia; Kinzhybalo, Vasyl; Szota, Aleksandra; Jakubas, Ryszard; Medycki, Wojciech; Zawrocki, Wiktor","Ferroelasticity and piezoelectricity of organic‒inorganic hybrid materials with a one-dimensional anionic structure: so similar, yet so different","CrystEngComm","2018","20","15","2112","","10.1039/C8CE00140E","","x-ray","0.71073","MoKα","","0.0254","0.0226","","","0.048","0.0493","","","","","","1.097","","","","has coordinates","229092","2020-10-21","18:00:00",""
"7230225","13.773","0.004","7.213","0.003","21.91","0.006","90","","107.53","0.03","90","","2075.6","1.2","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H14 Bi2 Cl8 N4 O2 -","- C6 H14 Bi2 Cl8 N4 O2 -","- C24 H56 Bi8 Cl32 N16 O8 -","4","1","","Piecha-Bisiorek, Anna; Mencel, Klaudia; Kinzhybalo, Vasyl; Szota, Aleksandra; Jakubas, Ryszard; Medycki, Wojciech; Zawrocki, Wiktor","Ferroelasticity and piezoelectricity of organic‒inorganic hybrid materials with a one-dimensional anionic structure: so similar, yet so different","CrystEngComm","2018","20","15","2112","","10.1039/C8CE00140E","","x-ray","0.71073","MoKα","","0.0437","0.0307","","","0.0603","0.0646","","","","","","1.044","","","","has coordinates","229092","2020-10-21","18:00:00",""
"7230226","28.529","0.003","14.5251","0.0015","13.6581","0.0014","90","","100.636","0.003","90","","5562.5","1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39.3 H45.4 La2 N2 O24 -","- C39.3 H33.3 La2 N2 O24 -","- C157.2 H133.2 La8 N8 O96 -","4","0.5","","An, Yan-Yan; Lu, Li-Ping; Feng, Si-Si; Zhu, Miao-Li","Efficient pure white light emission based on a three-component La:Eu,Tb-doped luminescent lanthanide metal‒organic framework","CrystEngComm","2018","20","14","2043","","10.1039/C8CE00008E","","","0.71073","MoKα","","0.0611","0.0454","","","0.1326","0.1422","","","","","","1.11","","","","has coordinates,has disorder","229066","2020-10-21","18:00:00",""
"7230227","28.4907","0.0017","14.4061","0.0009","13.6706","0.0008","90","","99.059","0.002","90","","5541","0.6","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H41 Eu2 N2 O22 -","- C39 H33 Eu2 N2 O22 -","- C156 H132 Eu8 N8 O88 -","4","0.5","","An, Yan-Yan; Lu, Li-Ping; Feng, Si-Si; Zhu, Miao-Li","Efficient pure white light emission based on a three-component La:Eu,Tb-doped luminescent lanthanide metal‒organic framework","CrystEngComm","2018","20","14","2043","","10.1039/C8CE00008E","","","0.71073","MoKα","","0.0448","0.0345","","","0.0941","0.1014","","","","","","1.084","","","","has coordinates,has disorder","229066","2020-10-21","18:00:00",""
"7230228","28.754","0.004","14.412","0.002","13.787","0.002","90","","97.044","0.004","90","","5670.2","1.4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19.5 H20.5 N O10.75 Sm -","- C19.5 H16.5 N O10.75 Sm -","- C156 H132 N8 O86 Sm8 -","8","1","","An, Yan-Yan; Lu, Li-Ping; Feng, Si-Si; Zhu, Miao-Li","Efficient pure white light emission based on a three-component La:Eu,Tb-doped luminescent lanthanide metal‒organic framework","CrystEngComm","2018","20","14","2043","","10.1039/C8CE00008E","","","0.71073","MoKα","","0.0785","0.0539","","","0.1316","0.1425","","","","","","1.114","","","","has coordinates,has disorder","229066","2020-10-21","18:00:00",""
"7230229","28.477","0.004","14.5281","0.0018","13.6564","0.0017","90","","100.456","0.003","90","","5556.1","1.3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19.65 H22.7 Ce N O12 -","- C19.65 H16.65 Ce N O12 -","- C157.2 H133.2 Ce8 N8 O96 -","8","1","","An, Yan-Yan; Lu, Li-Ping; Feng, Si-Si; Zhu, Miao-Li","Efficient pure white light emission based on a three-component La:Eu,Tb-doped luminescent lanthanide metal‒organic framework","CrystEngComm","2018","20","14","2043","","10.1039/C8CE00008E","","","0.71073","MoKα","","0.0628","0.0469","","","0.1344","0.1437","","","","","","1.077","","","","has coordinates,has disorder","229066","2020-10-21","18:00:00",""
"7230230","28.214","0.006","14.429","0.003","13.411","0.003","90","","100.77","0.03","90","","5363","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 N O11 Tb -","- C20 H17 N O11 Tb -","- C160 H136 N8 O88 Tb8 -","8","1","","An, Yan-Yan; Lu, Li-Ping; Feng, Si-Si; Zhu, Miao-Li","Efficient pure white light emission based on a three-component La:Eu,Tb-doped luminescent lanthanide metal‒organic framework","CrystEngComm","2018","20","14","2043","","10.1039/C8CE00008E","","","0.71","MoKα","","0.0724","0.0718","","","0.2235","0.2259","","","","","","1.058","","","","has coordinates,has disorder","229066","2020-10-21","18:00:00",""
"7230231","28.445","0.006","14.543","0.003","13.394","0.003","90","","101.85","0.03","90","","5423","2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C39 H50 Eu0.2 La0.88 N2 O26 Tb0.92 -","- C39 H33 Eu0.2 La0.88 N2 O26 Tb0.92 -","- C156 H132 Eu0.8 La3.52 N8 O104 Tb3.68 -","4","0.5","","An, Yan-Yan; Lu, Li-Ping; Feng, Si-Si; Zhu, Miao-Li","Efficient pure white light emission based on a three-component La:Eu,Tb-doped luminescent lanthanide metal‒organic framework","CrystEngComm","2018","20","14","2043","","10.1039/C8CE00008E","","","0.71","MoKα","","0.0632","0.0579","","","0.1735","0.1782","","","","","","1.082","","","","has coordinates,has disorder","229066","2020-10-21","18:00:00",""
"7230232","28.56","0.002","14.3583","0.0011","13.7162","0.0011","90","","97.985","0.002","90","","5570.1","0.7","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37 H39.2 N1.2 Nd2 O23 -","- C37 H27.8 N1.2 Nd2 O23 -","- C148 H111.2 N4.8 Nd8 O92 -","4","0.5","","An, Yan-Yan; Lu, Li-Ping; Feng, Si-Si; Zhu, Miao-Li","Efficient pure white light emission based on a three-component La:Eu,Tb-doped luminescent lanthanide metal‒organic framework","CrystEngComm","2018","20","14","2043","","10.1039/C8CE00008E","","","0.71073","MoKα","","0.0622","0.0414","","","0.1057","0.1138","","","","","","1.068","","","","has coordinates,has disorder","229066","2020-10-21","18:00:00",""
"7230233","28.4551","0.0016","14.2978","0.0008","13.6672","0.0008","90","","98.243","0.001","90","","5503","0.5","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H42 Dy2 N2 O22 -","- C39 H33 Dy2 N2 O22 -","- C156 H132 Dy8 N8 O88 -","4","0.5","","An, Yan-Yan; Lu, Li-Ping; Feng, Si-Si; Zhu, Miao-Li","Efficient pure white light emission based on a three-component La:Eu,Tb-doped luminescent lanthanide metal‒organic framework","CrystEngComm","2018","20","14","2043","","10.1039/C8CE00008E","","","0.71073","MoKα","","0.0419","0.0356","","","0.0911","0.0963","","","","","","1.126","","","","has coordinates,has disorder","229066","2020-10-21","18:00:00",""
"7230234","28.533","0.006","14.512","0.003","13.441","0.003","90","","101.87","0.03","90","","5447","2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C39 H48 Eu0.22 La1.32 N2 O26 Tb0.46 -","- C39 H33 Eu0.22 La1.32 N2 O26 Tb0.46 -","- C156 H132 Eu0.88 La5.28 N8 O104 Tb1.84 -","4","0.5","","An, Yan-Yan; Lu, Li-Ping; Feng, Si-Si; Zhu, Miao-Li","Efficient pure white light emission based on a three-component La:Eu,Tb-doped luminescent lanthanide metal‒organic framework","CrystEngComm","2018","20","14","2043","","10.1039/C8CE00008E","","","0.71","MoKα","","0.0797","0.0745","","","0.215","0.2208","","","","","","1.082","","","","has coordinates,has disorder","229066","2020-10-21","18:00:00",""
"7230235","28.4713","0.0018","14.2708","0.0009","13.643","0.0009","90","","97.961","0.002","90","","5489.8","0.6","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H47 Er2 N3 O22 -","- C42 H40 Er2 N3 O22 -","- C168 H160 Er8 N12 O88 -","4","0.5","","An, Yan-Yan; Lu, Li-Ping; Feng, Si-Si; Zhu, Miao-Li","Efficient pure white light emission based on a three-component La:Eu,Tb-doped luminescent lanthanide metal‒organic framework","CrystEngComm","2018","20","14","2043","","10.1039/C8CE00008E","","","0.71073","MoKα","","0.0365","0.0304","","","0.077","0.0814","","","","","","1.122","","","","has coordinates,has disorder","229066","2020-10-21","18:00:00",""
"7230236","28.48","0.004","14.496","0.0015","13.6564","0.0014","90","","100.308","0.005","90","","5547","1.1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H46 N2 O24 Pr2 -","- C39 H33 N2 O24 Pr2 -","- C156 H132 N8 O96 Pr8 -","4","0.5","","An, Yan-Yan; Lu, Li-Ping; Feng, Si-Si; Zhu, Miao-Li","Efficient pure white light emission based on a three-component La:Eu,Tb-doped luminescent lanthanide metal‒organic framework","CrystEngComm","2018","20","14","2043","","10.1039/C8CE00008E","","","0.71073","MoKα","","0.0573","0.0413","","","0.1212","0.1294","","","","","","1.078","","","","has coordinates,has disorder","229066","2020-10-21","18:00:00",""
"7230237","28.7055","0.0013","14.4824","0.0007","13.5829","0.0006","90","","97.525","0.001","90","","5598.1","0.4","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H42 Gd2 N2 O22 -","- C39 H32 Gd2 N2 O22 -","- C156 H128 Gd8 N8 O88 -","4","0.5","","An, Yan-Yan; Lu, Li-Ping; Feng, Si-Si; Zhu, Miao-Li","Efficient pure white light emission based on a three-component La:Eu,Tb-doped luminescent lanthanide metal‒organic framework","CrystEngComm","2018","20","14","2043","","10.1039/C8CE00008E","","","0.71073","MoKα","","0.0529","0.0445","","","0.1214","0.1283","","","","","","1.066","","","","has coordinates,has disorder","229066","2020-10-21","18:00:00",""
"7230238","28.5245","0.0017","14.3258","0.0009","13.6361","0.0008","90","","97.979","0.002","90","","5518.3","0.6","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39.2 H44 Ho2 N2.4 O21 -","- C39.2 H34.8 Ho2 N2.4 O21 -","- C156.8 H139.2 Ho8 N9.6 O84 -","4","0.5","","An, Yan-Yan; Lu, Li-Ping; Feng, Si-Si; Zhu, Miao-Li","Efficient pure white light emission based on a three-component La:Eu,Tb-doped luminescent lanthanide metal‒organic framework","CrystEngComm","2018","20","14","2043","","10.1039/C8CE00008E","","","0.71073","MoKα","","0.0413","0.0347","","","0.0898","0.0951","","","","","","1.094","","","","has coordinates,has disorder","229066","2020-10-21","18:00:00",""
"7230239","17.465","0.003","15.707","0.003","25.981","0.004","90","","110.398","0.003","90","","6680","2","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5,5,11,11-tetrabutyl-1,3,7,9-tetraphenyl-4,5,6,10,11,12-hexahydro-5,11- diazadibenzo[ef,kl]heptalene-5,11-diium-bromide","","- C68.2 H85.4 Br2 N3 O1.8 -","- C61 H71 Br2 N3 -","- C244 H284 Br8 N12 -","4","1","","Horvath, Daniel Vajk Daniel; Holczbauer, Tamas; Bereczki, Laura; Palko, Roberta; Nagy, Nora V.; Soos, Tibor; Bombicz, Petra Alexandra","Polymorphism of a porous hydrogen bond assisted ionic organic framework","CrystEngComm","2018","","","","","10.1039/C8CE00041G","","","0.71075","MoKα","","0.2138","0.1276","","","0.3386","0.3937","","","","","","1.098","","","","has coordinates,has disorder","206757","2020-10-21","18:00:00",""
"7230240","12.424","0.0008","23.045","0.0015","15.197","0.0008","90","","99.05","0.007","90","","4296.9","0.5","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5,11-dibutyl-1,3,7,9-tetraphenyl-4,5,6,10,11,12-hexahydro-5,11-diazadibenzo[ef,kl]heptalene-5,11-diium dichloride","","- C48 H50 Cl2 N2 -","- C48 H50 Cl2 N2 -","- C192 H200 Cl8 N8 -","4","1","","Horvath, Daniel Vajk Daniel; Holczbauer, Tamas; Bereczki, Laura; Palko, Roberta; Nagy, Nora V.; Soos, Tibor; Bombicz, Petra Alexandra","Polymorphism of a porous hydrogen bond assisted ionic organic framework","CrystEngComm","2018","","","","","10.1039/C8CE00041G","","","0.71073","MoKα","","0.1205","0.0787","","","0.1945","0.2219","","","","","","1.027","","","","has coordinates,has disorder","206757","2020-10-21","18:00:00",""
"7230241","22.071","0.003","25.991","0.003","28.554","0.004","90","","90","","90","","16380","4","293","2","293","2","","","","","","","","5","F d d d","-F 2uv 2vw","70","","5,5,11,11-tetrabutyl-1,3,7,9-tetraphenyl-4,5,6,10,11,12-hexahydro-5,11- diazadibenzo[ef,kl]heptalene-5,11-diium-bromide","","- C68 H90 Br2 N2 O3 -","- C56 H66 Br2 N2 -","- C448 H528 Br16 N16 -","8","","","Horvath, Daniel Vajk Daniel; Holczbauer, Tamas; Bereczki, Laura; Palko, Roberta; Nagy, Nora V.; Soos, Tibor; Bombicz, Petra Alexandra","Polymorphism of a porous hydrogen bond assisted ionic organic framework","CrystEngComm","2018","","","","","10.1039/C8CE00041G","","","0.71075","MoKα","","0.2964","0.2302","","","0.5471","0.5847","","","","","","1.876","","","","has coordinates","206757","2020-10-21","18:00:00",""
"7230242","24.343","0.003","15.987","0.004","17.571","0.005","90","","90","","90","","6838","3","295","2","295","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","5,5,11,11-tetrabutyl-1,3,7,9-tetraphenyl-4,5,6,10,11,12-hexahydro-5,11- diazadibenzo[ef,kl]heptalene-5,11-diium-bromide","","- C72 H98 Br2 N2 O4 -","- C56 H66 Br2 N2 -","- C224 H264 Br8 N8 -","4","0.5","","Horvath, Daniel Vajk Daniel; Holczbauer, Tamas; Bereczki, Laura; Palko, Roberta; Nagy, Nora V.; Soos, Tibor; Bombicz, Petra Alexandra","Polymorphism of a porous hydrogen bond assisted ionic organic framework","CrystEngComm","2018","","","","","10.1039/C8CE00041G","","","0.71073","MoKα","","0.1862","0.1047","","","0.2801","0.3288","","","","","","1.043","","","","has coordinates","206757","2020-10-21","18:00:00",""
"7230243","15.0148","0.0017","9.6841","0.0011","25.874","0.003","90","","100.421","0.003","90","","3700.1","0.7","123","3","123","3","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","N-((6-butyl-2,4,8,10-tetraphenyl-6,7-dihydro-5H-dibenzo[c,e]azepin-1-yl)methyl)-N-ethylbutan-1-amine","","- C48 H48 N2 -","- C48 H48 N2 -","- C192 H192 N8 -","4","1","","Horvath, Daniel Vajk Daniel; Holczbauer, Tamas; Bereczki, Laura; Palko, Roberta; Nagy, Nora V.; Soos, Tibor; Bombicz, Petra Alexandra","Polymorphism of a porous hydrogen bond assisted ionic organic framework","CrystEngComm","2018","","","","","10.1039/C8CE00041G","","","0.71073","MoKα","","0.1207","0.0681","","","0.1306","0.1512","","","","","","0.978","","","","has coordinates,has disorder","206757","2020-10-21","18:00:00",""
"7230244","12.2542","0.0011","12.3204","0.0011","12.461","0.0011","91.981","0.007","106.699","0.007","93.107","0.007","1796.9","0.3","103","2","103","2","","","","","","","","3","P -1","-P 1","2","","5,11-dibutyl-1,3,7,9-tetraphenyl-4,5,6,10,11,12-hexahydro-5,11-diazadibenzo[ef,kl]heptalene","","- C48 H48 N2 -","- C48 H48 N2 -","- C96 H96 N4 -","2","1","","Horvath, Daniel Vajk Daniel; Holczbauer, Tamas; Bereczki, Laura; Palko, Roberta; Nagy, Nora V.; Soos, Tibor; Bombicz, Petra Alexandra","Polymorphism of a porous hydrogen bond assisted ionic organic framework","CrystEngComm","2018","","","","","10.1039/C8CE00041G","","","0.71075","MoKα","","0.0777","0.0471","","","0.1044","0.1257","","","","","","1.099","","","","has coordinates,has disorder","206757","2020-10-21","18:00:00",""
"7230245","16.5711","0.0007","14.2773","0.0005","18.0085","0.0007","90","","90","","90","","4260.6","0.3","299","2","299","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H36 Cl4 Hg2 N8 O4 -","- C40 H36 Cl4 Hg2 N8 O4 -","- C160 H144 Cl16 Hg8 N32 O16 -","4","0.5","","Mahat Chhetri, Pradhumna; Yang, Xiang-Kai; Chen, Jhy-Der","Mercury halide coordination polymers exhibiting reversible structural transformation","CrystEngComm","2018","20","15","2126","","10.1039/C8CE00086G","","","0.71073","MoKα","","0.0429","0.031","","","0.0704","0.075","","","","","","1.042","","","","has coordinates","229091","2020-10-21","18:00:00",""
"7230246","14.925","0.0005","17.9225","0.0006","9.7074","0.0003","90","","99.086","0.002","90","","2564.08","0.15","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 Hg I2 N5 O2 -","- C22 H21 Hg I2 N5 O2 -","- C88 H84 Hg4 I8 N20 O8 -","4","1","","Mahat Chhetri, Pradhumna; Yang, Xiang-Kai; Chen, Jhy-Der","Mercury halide coordination polymers exhibiting reversible structural transformation","CrystEngComm","2018","20","15","2126","","10.1039/C8CE00086G","","","0.71073","MoKα","","0.0825","0.0448","","","0.1121","0.1254","","","","","","1.042","","","","has coordinates","229091","2020-10-21","18:00:00",""
"7230247","16.5731","0.0007","14.3971","0.0005","18.3341","0.0007","90","","90","","90","","4374.6","0.3","300","2","300","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H18 Br2 Hg N4 O2 -","- C20 H18 Br2 Hg N4 O2 -","- C160 H144 Br16 Hg8 N32 O16 -","8","1","","Mahat Chhetri, Pradhumna; Yang, Xiang-Kai; Chen, Jhy-Der","Mercury halide coordination polymers exhibiting reversible structural transformation","CrystEngComm","2018","20","15","2126","","10.1039/C8CE00086G","","","0.71073","MoKα","","0.0789","0.0403","","","0.0746","0.0852","","","","","","0.966","","","","has coordinates","229091","2020-10-21","18:00:00",""
"7230248","16.9633","0.0005","9.3636","0.0002","29.0993","0.0007","90","","90","","90","","4622.1","0.2","299","2","299","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H18 Hg I2 N4 O2 -","- C20 H18 Hg I2 N4 O2 -","- C160 H144 Hg8 I16 N32 O16 -","8","1","","Mahat Chhetri, Pradhumna; Yang, Xiang-Kai; Chen, Jhy-Der","Mercury halide coordination polymers exhibiting reversible structural transformation","CrystEngComm","2018","20","15","2126","","10.1039/C8CE00086G","","","0.71073","MoKα","","0.0771","0.0334","","","0.0487","0.0577","","","","","","0.975","","","","has coordinates","229091","2020-10-21","18:00:00",""
"7230249","14.4848","0.0006","18.1541","0.0007","9.5331","0.0003","90","","98.561","0.003","90","","2478.88","0.16","299","2","299","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 Br2 Hg N5 O2 -","- C22 H21 Br2 Hg N5 O2 -","- C88 H84 Br8 Hg4 N20 O8 -","4","1","","Mahat Chhetri, Pradhumna; Yang, Xiang-Kai; Chen, Jhy-Der","Mercury halide coordination polymers exhibiting reversible structural transformation","CrystEngComm","2018","20","15","2126","","10.1039/C8CE00086G","","","0.71073","MoKα","","0.1003","0.0471","","","0.0899","0.1071","","","","","","1.002","","","","has coordinates","229091","2020-10-21","18:00:00",""
"7230250","6.711","0.002","14.834","0.005","12.391","0.004","90","","104.88","0.03","90","","1192.2","0.7","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 Cl2 N2 O4 -","- C11 H8 Cl2 N2 O4 -","- C44 H32 Cl8 N8 O16 -","4","1","","Rok, M.; Bator, G.; Sawka-Dobrowolska, W.; Durlak, P.; Moskwa, M.; Medycki, W.; Sobczyk, L.; Zamponi, M.","Crystal structural analysis of methyl-substituted pyrazines with anilic acids: a combined diffraction, inelastic neutron scattering, 1H-NMR study and theoretical approach","CrystEngComm","2018","20","14","2016","","10.1039/C8CE00040A","","","0.71073","MoKα","","0.0386","0.033","","","0.0787","0.0808","","","","","","1.133","","","","has coordinates","229063","2020-10-21","18:00:00",""
"7230251","8.463","0.003","8.976","0.003","10.962","0.004","95.57","0.02","111.82","0.03","109.33","0.02","706.1","0.5","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H12 Cl2 N2 O4 -","- C13 H12 Cl2 N2 O4 -","- C26 H24 Cl4 N4 O8 -","2","1","","Rok, M.; Bator, G.; Sawka-Dobrowolska, W.; Durlak, P.; Moskwa, M.; Medycki, W.; Sobczyk, L.; Zamponi, M.","Crystal structural analysis of methyl-substituted pyrazines with anilic acids: a combined diffraction, inelastic neutron scattering, 1H-NMR study and theoretical approach","CrystEngComm","2018","20","14","2016","","10.1039/C8CE00040A","","","0.71073","MoKα","","0.0529","0.0464","","","0.1261","0.1326","","","","","","1.071","","","","has coordinates","229063","2020-10-21","18:00:00",""
"7230252","8.45","0.004","9.153","0.002","10.952","0.004","67.5","0.03","67.45","0.02","72.56","0.03","711","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H12 Br2 N2 O4 -","- C13 H12 Br2 N2 O4 -","- C26 H24 Br4 N4 O8 -","2","1","","Rok, M.; Bator, G.; Sawka-Dobrowolska, W.; Durlak, P.; Moskwa, M.; Medycki, W.; Sobczyk, L.; Zamponi, M.","Crystal structural analysis of methyl-substituted pyrazines with anilic acids: a combined diffraction, inelastic neutron scattering, 1H-NMR study and theoretical approach","CrystEngComm","2018","20","14","2016","","10.1039/C8CE00040A","","","0.71073","MoKα","","0.0305","0.0267","","","0.0744","0.077","","","","","","1.069","","","","has coordinates","229063","2020-10-21","18:00:00",""
"7230253","20.001","0.002","4.845","0.004","16.024","0.004","90","","125.35","0.03","90","","1266.5","1.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H8 Br2 N2 O4 -","- C11 H8 Br2 N2 O4 -","- C44 H32 Br8 N8 O16 -","4","0.5","","Rok, M.; Bator, G.; Sawka-Dobrowolska, W.; Durlak, P.; Moskwa, M.; Medycki, W.; Sobczyk, L.; Zamponi, M.","Crystal structural analysis of methyl-substituted pyrazines with anilic acids: a combined diffraction, inelastic neutron scattering, 1H-NMR study and theoretical approach","CrystEngComm","2018","20","14","2016","","10.1039/C8CE00040A","","","0.71073","MoKα","","0.0413","0.0376","","","0.0903","0.092","","","","","","1.228","","","","has coordinates,has disorder","229063","2020-10-21","18:00:00",""
"7230254","13.379","0.007","14.992","0.003","16.043","0.004","113.9","0.04","103.69","0.03","98.24","0.02","2753","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H12 Cl2 N2 O4 -","- C13 H12 Cl2 N2 O4 -","- C104 H96 Cl16 N16 O32 -","8","4","","Rok, M.; Bator, G.; Sawka-Dobrowolska, W.; Durlak, P.; Moskwa, M.; Medycki, W.; Sobczyk, L.; Zamponi, M.","Crystal structural analysis of methyl-substituted pyrazines with anilic acids: a combined diffraction, inelastic neutron scattering, 1H-NMR study and theoretical approach","CrystEngComm","2018","20","14","2016","","10.1039/C8CE00040A","","","0.71073","MoKα","","0.0897","0.0564","","","0.1414","0.1562","","","","","","1.041","","","","has coordinates","229063","2020-10-21","18:00:00",""
"7230255","21.288","0.0012","15.5482","0.0009","22.5226","0.0013","90","","90.53","0.001","90","","7454.4","0.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H70 Ag10 F18 O7 -","- C58 H66 Ag10 F18 O7 -","- C232 H264 Ag40 F72 O28 -","4","1","","Jin, Jun-Ling; Shen, Yang-Lin; Xie, Yun-Peng; Lu, Xing","Silver ethynide clusters constructed with fluorinated β-diketonate ligands","CrystEngComm","2018","20","14","2036","","10.1039/C8CE00243F","","","0.71073","MoKα","","0.0413","0.0353","","","0.0739","0.0781","","","","","","1.188","","","","has coordinates,has disorder","229065","2020-10-21","18:00:00",""
"7230256","15.9191","0.0012","18.5105","0.0014","16.4798","0.0013","90","","106.631","0.002","90","","4653","0.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C70 H84 Ag12 F24 O10 -","- C70 H76 Ag12 F24 O10 -","- C140 H152 Ag24 F48 O20 -","2","0.5","","Jin, Jun-Ling; Shen, Yang-Lin; Xie, Yun-Peng; Lu, Xing","Silver ethynide clusters constructed with fluorinated β-diketonate ligands","CrystEngComm","2018","20","14","2036","","10.1039/C8CE00243F","","","0.71073","MoKα","","0.0634","0.0588","","","0.1559","0.1584","","","","","","1.156","","","","has coordinates,has disorder","229065","2020-10-21","18:00:00",""
"7230257","15.8413","0.0016","17.2728","0.0017","20.951","0.002","97.908","0.002","91.893","0.002","110.129","0.002","5311.4","0.9","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C83 H102 Ag16 Cl F21 O8 -","- C83 H102 Ag16 Cl F21 O8 -","- C166 H204 Ag32 Cl2 F42 O16 -","2","1","","Jin, Jun-Ling; Shen, Yang-Lin; Xie, Yun-Peng; Lu, Xing","Silver ethynide clusters constructed with fluorinated β-diketonate ligands","CrystEngComm","2018","20","14","2036","","10.1039/C8CE00243F","","","0.71073","MoKα","","0.0788","0.0573","","","0.1135","0.1302","","","","","","1.167","","","","has coordinates,has disorder","229065","2020-10-21","18:00:00",""
"7230258","14.4518","0.0011","18.034","0.0014","24.852","0.0019","69.198","0.002","73.412","0.002","68.675","0.002","5548.6","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H110 Ag17 F21 O10 -","- C88 H110 Ag16.994 F21 O10 -","- C176 H220 Ag33.988 F42 O20 -","2","1","","Jin, Jun-Ling; Shen, Yang-Lin; Xie, Yun-Peng; Lu, Xing","Silver ethynide clusters constructed with fluorinated β-diketonate ligands","CrystEngComm","2018","20","14","2036","","10.1039/C8CE00243F","","","0.71073","MoKα","","0.0575","0.0463","","","0.1054","0.1137","","","","","","1.138","","","","has coordinates,has disorder","229065","2020-10-21","18:00:00",""
"7230259","14.1186","0.001","18.0195","0.0012","26.5054","0.0019","90.783","0.002","92.624","0.002","100.746","0.002","6616.3","0.8","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C101 H149 Ag22 F9 N2 O14 P2 -","- C101 H145 Ag22 F9 N2 O14 P2 -","- C202 H290 Ag44 F18 N4 O28 P4 -","2","1","","Jin, Jun-Ling; Shen, Yang-Lin; Xie, Yun-Peng; Lu, Xing","Silver ethynide clusters constructed with fluorinated β-diketonate ligands","CrystEngComm","2018","20","14","2036","","10.1039/C8CE00243F","","","0.71073","MoKα","","0.0735","0.0663","","","0.1546","0.16","","","","","","1.174","","","","has coordinates,has disorder","229065","2020-10-21","18:00:00",""
"7230260","22.419","0.004","19.817","0.003","27.289","0.004","90","","106.543","0.004","90","","11622","3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C172 H242 Ag40 F30 O33 P4 V2 -","- C172 H238 Ag40 F30 O33 P4 V2 -","- C344 H476 Ag80 F60 O66 P8 V4 -","2","0.5","","Jin, Jun-Ling; Shen, Yang-Lin; Xie, Yun-Peng; Lu, Xing","Silver ethynide clusters constructed with fluorinated β-diketonate ligands","CrystEngComm","2018","20","14","2036","","10.1039/C8CE00243F","","","0.71073","MoKα","","0.1321","0.1009","","","0.2223","0.244","","","","","","1.09","","","","has coordinates,has disorder","229065","2020-10-21","18:00:00",""
"7230261","19.6076","0.0011","27.3026","0.0017","28.806","0.0016","88.022","0.002","85.904","0.001","88.203","0.002","15365.9","1.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C228 H264 Ag48 F72 O38 V4 -","- C228 H258 Ag48 F72 O38 V4 -","- C456 H516 Ag96 F144 O76 V8 -","2","1","","Jin, Jun-Ling; Shen, Yang-Lin; Xie, Yun-Peng; Lu, Xing","Silver ethynide clusters constructed with fluorinated β-diketonate ligands","CrystEngComm","2018","20","14","2036","","10.1039/C8CE00243F","","","0.71073","MoKα","","0.0557","0.0389","","","0.0807","0.0909","","","","","","1.058","","","","has coordinates,has disorder","229065","2020-10-21","18:00:00",""
"7230262","14.7978","0.0017","25.14","0.003","32.296","0.004","90","","90","","90","","12015","2","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C88 H110 Ag19 F21 Mo O14 -","- C88 H110 Ag19 F21 Mo O14 -","- C352 H440 Ag76 F84 Mo4 O56 -","4","1","","Jin, Jun-Ling; Shen, Yang-Lin; Xie, Yun-Peng; Lu, Xing","Silver ethynide clusters constructed with fluorinated β-diketonate ligands","CrystEngComm","2018","20","14","2036","","10.1039/C8CE00243F","","","0.71073","MoKα","","0.0964","0.0927","","","0.2172","0.2198","","","","","","1.114","","","","has coordinates,has disorder","229065","2020-10-21","18:00:00",""
"7230267","13.022","0.002","22.619","0.004","12.962","0.002","90","","104.648","0.003","90","","3693.8","1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","CLD","","","- C15 H20 N28 O28 -","- C15 H20 N28 O28 -","- C60 H80 N112 O112 -","4","1","","Liu, Ning; Duan, Binghui; Lu, Xianming; Mo, Hongchang; Xu, Minghui; Zhang, Qian; Wang, Bozhou","Preparation of CL-20/DNDAP cocrystals by a rapid and continuous spray drying method: an alternative to cocrystal formation","CrystEngComm","2018","20","14","2060","","10.1039/C8CE00006A","","","0.71073","MoKα","","0.0539","0.0382","","","0.0922","0.1024","","","","","","1.013","","","","has coordinates","229067","2020-10-21","18:00:00",""
"7230268","7.0769","0.0008","12.5517","0.0014","17.9244","0.0018","82.908","0.005","87.892","0.005","84.717","0.005","1572.8","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H74 Fe2 N24 O8 -","- C54 H71.2 Fe2 N24 O8.2 -","- C54 H71.2 Fe2 N24 O8.2 -","1","0.5","","Hu, Bo-Wen; Ferlay, Sylvie; Gruber-Kyritsakas, Nathalie; Hosseini, Mir Wais","Structural phase diagrams and isomerism inflexible honeycomb-like 2D hydrogen bonded solid solutions","CrystEngComm","2018","20","13","1853","","10.1039/C8CE00023A","","","0.71073","MoKα","","0.1227","0.0864","","","0.2133","0.2351","","","","","","1.005","","","","has coordinates","229059","2020-10-21","18:00:00",""
"7230269","7.1019","0.0003","22.0731","0.001","20.6168","0.001","90","","92.075","0.001","90","","3229.8","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H76 Fe2 N24 O13 -","- C54 H65 Fe2 N24 O13 -","- C108 H130 Fe4 N48 O26 -","2","0.5","","Hu, Bo-Wen; Ferlay, Sylvie; Gruber-Kyritsakas, Nathalie; Hosseini, Mir Wais","Structural phase diagrams and isomerism inflexible honeycomb-like 2D hydrogen bonded solid solutions","CrystEngComm","2018","20","13","1853","","10.1039/C8CE00023A","","","0.71073","MoKα","","0.0599","0.0546","","","0.1362","0.1404","","","","","","1.038","","","","has coordinates,has disorder","229059","2020-10-21","18:00:00",""
"7230270","7.0696","0.0001","35.4378","0.0007","12.7602","0.0003","90","","94.789","0.001","90","","3185.67","0.11","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H38 Fe N12 O5.4 -","- C27 H34 Fe N12 O5.4 -","- C108 H136 Fe4 N48 O21.6 -","4","1","","Hu, Bo-Wen; Ferlay, Sylvie; Gruber-Kyritsakas, Nathalie; Hosseini, Mir Wais","Structural phase diagrams and isomerism inflexible honeycomb-like 2D hydrogen bonded solid solutions","CrystEngComm","2018","20","13","1853","","10.1039/C8CE00023A","","","0.71073","MoKα","","0.0625","0.053","","","0.1381","0.1443","","","","","","1.022","","","","has coordinates,has disorder","229059","2020-10-21","18:00:00",""
"7230271","7.0846","0.0005","35.531","0.002","12.6872","0.0008","90","","94.818","0.002","90","","3182.4","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H38 Fe N12 O5 -","- C27 H34 Fe N12 O5 -","- C108 H136 Fe4 N48 O20 -","4","1","","Hu, Bo-Wen; Ferlay, Sylvie; Gruber-Kyritsakas, Nathalie; Hosseini, Mir Wais","Structural phase diagrams and isomerism inflexible honeycomb-like 2D hydrogen bonded solid solutions","CrystEngComm","2018","20","13","1853","","10.1039/C8CE00023A","","","0.71073","MoKα","","0.0554","0.0469","","","0.1135","0.1191","","","","","","1.045","","","","has coordinates,has disorder","229059","2020-10-21","18:00:00",""
"7230272","7.0887","0.0001","35.4699","0.0007","12.8214","0.0002","90","","94.72","0.001","90","","3212.82","0.09","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H38 Fe N12 O5.9 -","- C27 H33.588 Fe N12 O5.9 -","- C108 H134.352 Fe4 N48 O23.6 -","4","1","","Hu, Bo-Wen; Ferlay, Sylvie; Gruber-Kyritsakas, Nathalie; Hosseini, Mir Wais","Structural phase diagrams and isomerism inflexible honeycomb-like 2D hydrogen bonded solid solutions","CrystEngComm","2018","20","13","1853","","10.1039/C8CE00023A","","","0.71073","MoKα","","0.0595","0.0485","","","0.1179","0.1237","","","","","","1.078","","","","has coordinates,has disorder","229059","2020-10-21","18:00:00",""
"7230273","31.5773","0.0005","36.4648","0.0005","38.7297","0.0009","90","","107.41","0.002","90","","42552.7","1.4","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C82 H416 Cl25 Co7 Gd45 O388 -","- C81 H168 Cl4 Co7 Gd45 O254 -","- C324 H672 Cl16 Co28 Gd180 O1016 -","4","1","","Fan, Shen; Xu, Su-Hui; Zheng, Xiu-Ying; Yan, Zhi-Hao; Kong, Xiang-Jian; Long, La-Sheng; Zheng, Lan-Sun","Four 3d‒4f heterometallic Ln45M7 clusters protected by mixed ligands","CrystEngComm","2018","20","15","2120","","10.1039/C8CE00173A","","","0.71073","MoKα","","0.1308","0.0835","","","0.22","0.2517","","","","","","1.031","","","","has coordinates,has disorder","229090","2020-10-21","18:00:00",""
"7230274","31.6894","0.001","36.5011","0.0011","39.6432","0.0015","90","","107.229","0.003","90","","43798","3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C82 H416 Cl25 Gd45 Ni7 O388 -","- C70 H148 Cl4 Gd45 Ni7 O251 -","- C280 H592 Cl16 Gd180 Ni28 O1004 -","4","1","","Fan, Shen; Xu, Su-Hui; Zheng, Xiu-Ying; Yan, Zhi-Hao; Kong, Xiang-Jian; Long, La-Sheng; Zheng, Lan-Sun","Four 3d‒4f heterometallic Ln45M7 clusters protected by mixed ligands","CrystEngComm","2018","20","15","2120","","10.1039/C8CE00173A","","","0.71073","MoKα","","0.2456","0.124","","","0.2658","0.3184","","","","","","1.053","","","","has coordinates,has disorder","229090","2020-10-21","18:00:00",""
"7230275","31.4199","0.0009","36.1969","0.0008","39.2591","0.0013","90","","107.313","0.003","90","","42627","2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C82 H416 Cl25 Co7 Dy45 O388 -","- C82 H175 Cl4 Co7 Dy45 O253 -","- C328 H700 Cl16 Co28 Dy180 O1012 -","4","1","","Fan, Shen; Xu, Su-Hui; Zheng, Xiu-Ying; Yan, Zhi-Hao; Kong, Xiang-Jian; Long, La-Sheng; Zheng, Lan-Sun","Four 3d‒4f heterometallic Ln45M7 clusters protected by mixed ligands","CrystEngComm","2018","20","15","2120","","10.1039/C8CE00173A","","","0.71073","MoKα","","0.1511","0.0873","","","0.2249","0.2611","","","","","","1.023","","","","has coordinates,has disorder","229090","2020-10-21","18:00:00",""
"7230276","31.3304","0.0013","35.9748","0.001","39.1007","0.0015","90","","107.174","0.004","90","","42106","3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C82 H416 Cl25 Dy45 Ni7 O388 -","- C82 H176 Cl4 Dy45 Ni7 O253 -","- C328 H704 Cl16 Dy180 Ni28 O1012 -","4","1","","Fan, Shen; Xu, Su-Hui; Zheng, Xiu-Ying; Yan, Zhi-Hao; Kong, Xiang-Jian; Long, La-Sheng; Zheng, Lan-Sun","Four 3d‒4f heterometallic Ln45M7 clusters protected by mixed ligands","CrystEngComm","2018","20","15","2120","","10.1039/C8CE00173A","","","0.71073","MoKα","","0.1762","0.1043","","","0.2529","0.3065","","","","","","0.971","","","","has coordinates,has disorder","229090","2020-10-21","18:00:00",""
"7230277","27.0371","0.0012","7.9845","0.0003","6.4776","0.0003","90","","90","","90","","1398.37","0.1","295","2","295","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C2 H19 Co Mo N6 O11 -","- C2 H19 Co Mo N6 O11 -","- C8 H76 Co4 Mo4 N24 O44 -","4","0.5","","Cindrić, Marina; Stilinović, Vladimir; Rubčić, Mirta; Medak, Glorija; Šišak Jung, Dubravka; Vrdoljak, Višnja","Supramolecular assembly of oxalatomolybdates controlled by the hydrogen bonding potential of Co(iii)-ammine cations","CrystEngComm","2018","20","13","1889","","10.1039/C7CE02205K","","","0.7107","MoKα","","0.0254","0.0223","","","0.0558","0.0567","","","","","","1.075","","","","has coordinates","229060","2020-10-21","18:00:00",""
"7230278","10.2131","0.0003","13.1299","0.0004","13.2356","0.0003","79.39","0.002","84.259","0.002","77.997","0.002","1702.85","0.08","150","0.2","150","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H96 Co4 Mo6 N24 O54 -","- C12 H96 Co4 Mo6 N24 O54 -","- C12 H96 Co4 Mo6 N24 O54 -","1","0.5","","Cindrić, Marina; Stilinović, Vladimir; Rubčić, Mirta; Medak, Glorija; Šišak Jung, Dubravka; Vrdoljak, Višnja","Supramolecular assembly of oxalatomolybdates controlled by the hydrogen bonding potential of Co(iii)-ammine cations","CrystEngComm","2018","20","13","1889","","10.1039/C7CE02205K","","","0.7107","MoKα","","0.0324","0.0226","","","0.0462","0.0473","","","","","","0.908","","","","has coordinates","229060","2020-10-21","18:00:00",""
"7230279","10.7699","0.0005","22.3609","0.0009","15.1262","0.0008","90","","90","","90","","3642.8","0.3","295","2","295","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C16 H46 Co2 Mo2 N8 O28 -","- C16 H44 Co2 Mo2 N8 O28 -","- C64 H176 Co8 Mo8 N32 O112 -","4","0.5","","Cindrić, Marina; Stilinović, Vladimir; Rubčić, Mirta; Medak, Glorija; Šišak Jung, Dubravka; Vrdoljak, Višnja","Supramolecular assembly of oxalatomolybdates controlled by the hydrogen bonding potential of Co(iii)-ammine cations","CrystEngComm","2018","20","13","1889","","10.1039/C7CE02205K","","","0.7107","MoKα","","0.0659","0.0423","","","0.0855","0.0946","","","","","","1.033","","","","has coordinates","229060","2020-10-21","18:00:00",""
"7230280","13.5465","0.0003","11.691","0.0003","28.9847","0.0007","90","","90","","90","","4590.37","0.19","295","2","295","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C18 H64 Co2 Mo3 N12 O29 -","- C18 H50 Co2 Mo3 N12 O29 -","- C72 H200 Co8 Mo12 N48 O116 -","4","1","","Cindrić, Marina; Stilinović, Vladimir; Rubčić, Mirta; Medak, Glorija; Šišak Jung, Dubravka; Vrdoljak, Višnja","Supramolecular assembly of oxalatomolybdates controlled by the hydrogen bonding potential of Co(iii)-ammine cations","CrystEngComm","2018","20","13","1889","","10.1039/C7CE02205K","","","0.7107","MoKα","","0.0425","0.0311","","","0.067","0.0688","","","","","","0.913","","","","has coordinates","229060","2020-10-21","18:00:00",""
"7230281","12.8719","0.001","10.4734","0.0007","14.5744","0.001","90","","112.997","0.008","90","","1808.7","0.2","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H44 Co2 Mo2 N8 O27 -","- C16 H36 Co2 Mo2 N8 O27 -","- C32 H72 Co4 Mo4 N16 O54 -","2","0.5","","Cindrić, Marina; Stilinović, Vladimir; Rubčić, Mirta; Medak, Glorija; Šišak Jung, Dubravka; Vrdoljak, Višnja","Supramolecular assembly of oxalatomolybdates controlled by the hydrogen bonding potential of Co(iii)-ammine cations","CrystEngComm","2018","20","13","1889","","10.1039/C7CE02205K","","","0.7107","MoKα","","0.0662","0.0462","","","0.1202","0.1248","","","","","","0.984","","","","has coordinates","229060","2020-10-21","18:00:00",""
"7230282","10.0883","0.0012","11.928","0.0013","15.268","0.004","67.802","0.007","86.402","0.002","75.04","0.01","1642.2","0.5","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H48 Co2 Mo N8 O23 -","- C14 H46 Co2 Mo N8 O23 -","- C28 H92 Co4 Mo2 N16 O46 -","2","1","","Cindrić, Marina; Stilinović, Vladimir; Rubčić, Mirta; Medak, Glorija; Šišak Jung, Dubravka; Vrdoljak, Višnja","Supramolecular assembly of oxalatomolybdates controlled by the hydrogen bonding potential of Co(iii)-ammine cations","CrystEngComm","2018","20","13","1889","","10.1039/C7CE02205K","","","0.7107","MoKα","","0.0802","0.0571","","","0.132","0.1378","","","","","","0.911","","","","has coordinates","229060","2020-10-21","18:00:00",""
"7230283","10.5531","0.0003","16.1106","0.0006","23.2787","0.0007","90","","90","","90","","3957.8","0.2","150","0.2","150","0.2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H50 Co2 Mo4 N12 O34 -","- C8 H49 Co2 Mo4 N12 O34 -","- C32 H196 Co8 Mo16 N48 O136 -","4","1","","Cindrić, Marina; Stilinović, Vladimir; Rubčić, Mirta; Medak, Glorija; Šišak Jung, Dubravka; Vrdoljak, Višnja","Supramolecular assembly of oxalatomolybdates controlled by the hydrogen bonding potential of Co(iii)-ammine cations","CrystEngComm","2018","20","13","1889","","10.1039/C7CE02205K","","","0.7107","MoKα","","0.0233","0.0198","","","0.0421","0.0426","","","","","","0.964","","","","has coordinates","229060","2020-10-21","18:00:00",""
"7230284","13.5099","0.001","17.5536","0.001","9.9621","0.0008","90","","87.737","0.006","90","","2360.6","0.3","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H60 Co2 Mo4 N12 O33 -","- C20 H60 Co2 Mo4 N12 O33 -","- C40 H120 Co4 Mo8 N24 O66 -","2","0.5","","Cindrić, Marina; Stilinović, Vladimir; Rubčić, Mirta; Medak, Glorija; Šišak Jung, Dubravka; Vrdoljak, Višnja","Supramolecular assembly of oxalatomolybdates controlled by the hydrogen bonding potential of Co(iii)-ammine cations","CrystEngComm","2018","20","13","1889","","10.1039/C7CE02205K","","","0.7107","MoKα","","0.1009","0.0534","","","0.1317","0.1406","","","","","","0.893","","","","has coordinates","229060","2020-10-21","18:00:00",""
"7230287","6.9761","0.0006","7.6181","0.0006","8.3283","0.0007","90","","94.646","0.004","90","","441.15","0.06","296","2","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","2-Methylbenzylammonium Formate","","- C9 H13 N O2 -","- C9 H13 N O2 -","- C18 H26 N2 O4 -","2","1","","Oberle, Carl D.; Bequette, Dylan G.; Brewer, Taylor K.; Terry, Traviona R. R.; Beatty, Alicia M.","π-Choreography in aromatic ammonium formate solids","CrystEngComm","2018","20","13","1899","","10.1039/C8CE00198G","","","0.71073","MoKα","","0.0718","0.0709","","","0.2021","0.2041","","","","","","1.114","","","","has coordinates","229057","2020-10-21","18:00:00",""
"7230288","6.7615","0.0003","18.9173","0.0007","7.8044","0.0003","90","","105.934","0.0019","90","","959.9","0.07","100","2","99.98","","","","","","","","","4","C 1 c 1","C -2yc","9","","4-Methoxybenzylammonium Formate","","- C9 H13 N O3 -","- C9 H13 N O3 -","- C36 H52 N4 O12 -","4","1","","Oberle, Carl D.; Bequette, Dylan G.; Brewer, Taylor K.; Terry, Traviona R. R.; Beatty, Alicia M.","π-Choreography in aromatic ammonium formate solids","CrystEngComm","2018","20","13","1899","","10.1039/C8CE00198G","","","0.71073","MoKα","","0.0281","0.0272","","","0.0738","0.0747","","","","","","1.052","","","","has coordinates","229057","2020-10-21","18:00:00",""
"7230289","16.7899","0.001","4.7766","0.0003","11.55","0.0006","90","","104.162","0.003","90","","898.14","0.09","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Chlorobenzylammonium Formate","","- C8 H10 Cl N O2 -","- C8 H10 Cl N O2 -","- C32 H40 Cl4 N4 O8 -","4","1","","Oberle, Carl D.; Bequette, Dylan G.; Brewer, Taylor K.; Terry, Traviona R. R.; Beatty, Alicia M.","π-Choreography in aromatic ammonium formate solids","CrystEngComm","2018","20","13","1899","","10.1039/C8CE00198G","","","0.71073","MoKα","","0.0472","0.0446","","","0.1072","0.1085","","","","","","1.143","","","","has coordinates","229057","2020-10-21","18:00:00",""
"7230290","6.9086","0.0003","17.9665","0.0007","9.184","0.0003","90","","90","","90","","1139.95","0.08","111","2","110.96","","","","","","","","","4","P c a 21","P 2c -2ac","29","","1-Naphthylethylammonium Formate","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C52 H60 N4 O8 -","4","1","","Oberle, Carl D.; Bequette, Dylan G.; Brewer, Taylor K.; Terry, Traviona R. R.; Beatty, Alicia M.","π-Choreography in aromatic ammonium formate solids","CrystEngComm","2018","20","13","1899","","10.1039/C8CE00198G","","","0.71073","MoKα","","0.0313","0.0299","","","0.0793","0.081","","","","","","1.04","","","","has coordinates","229057","2020-10-21","18:00:00",""
"7230291","8.5468","0.0005","11.0536","0.0007","17.5296","0.001","90","","90","","90","","1656.07","0.17","100","2","99.99","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Benzylammonium Formate","","- C8 H11 N O2 -","- C8 H11 N O2 -","- C64 H88 N8 O16 -","8","1","","Oberle, Carl D.; Bequette, Dylan G.; Brewer, Taylor K.; Terry, Traviona R. R.; Beatty, Alicia M.","π-Choreography in aromatic ammonium formate solids","CrystEngComm","2018","20","13","1899","","10.1039/C8CE00198G","","","0.71073","MoKα","","0.0398","0.0354","","","0.0975","0.1027","","","","","","1.045","","","","has coordinates","229057","2020-10-21","18:00:00",""
"7230292","16.9827","0.0008","4.8029","0.0002","11.5315","0.0006","90","","103.947","0.003","90","","912.85","0.08","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Methylbenzylammonium Formate","","- C9 H13 N O2 -","- C9 H13 N O2 -","- C36 H52 N4 O8 -","4","1","","Oberle, Carl D.; Bequette, Dylan G.; Brewer, Taylor K.; Terry, Traviona R. R.; Beatty, Alicia M.","π-Choreography in aromatic ammonium formate solids","CrystEngComm","2018","20","13","1899","","10.1039/C8CE00198G","","","0.71073","MoKα","","0.0435","0.0365","","","0.0982","0.1046","","","","","","0.945","","","","has coordinates","229057","2020-10-21","18:00:00",""
"7230293","17.09","0.008","4.909","0.002","11.565","0.006","90","","109.75","0.03","90","","913.2","0.8","273","2","273.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Methylbenzylammonium Formate","","- C9 H13 N O2 -","- C9 H13 N O2 -","- C36 H52 N4 O8 -","4","1","","Oberle, Carl D.; Bequette, Dylan G.; Brewer, Taylor K.; Terry, Traviona R. R.; Beatty, Alicia M.","π-Choreography in aromatic ammonium formate solids","CrystEngComm","2018","20","13","1899","","10.1039/C8CE00198G","","","0.71073","MoKα","","0.072","0.0483","","","0.1261","0.1418","","","","","","1.024","","","","has coordinates","229057","2020-10-21","18:00:00",""
"7230294","16.7551","0.0013","4.8441","0.0004","11.4478","0.0009","90","","109.041","0.003","90","","878.3","0.12","100","2","100.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Chlorobenzylammonum Formate","","- C8 H10 Cl N O2 -","- C8 H10 Cl N O2 -","- C32 H40 Cl4 N4 O8 -","4","1","","Oberle, Carl D.; Bequette, Dylan G.; Brewer, Taylor K.; Terry, Traviona R. R.; Beatty, Alicia M.","π-Choreography in aromatic ammonium formate solids","CrystEngComm","2018","20","13","1899","","10.1039/C8CE00198G","","","0.71073","MoKα","","0.0242","0.0231","","","0.0648","0.0657","","","","","","1.103","","","","has coordinates","229057","2020-10-21","18:00:00",""
"7230295","8.6054","0.0008","16.7131","0.0015","39.418","0.003","90","","92.227","0.002","90","","5664.9","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H76 N4 O20 P6 Zn2 -","- C44 H76 N4 O20 P6 Zn2 -","- C176 H304 N16 O80 P24 Zn8 -","4","1","","Bulut, Aysun; Maares, Maria; Atak, Kaan; Zorlu, Yunus; Çoşut, Bünyemin; Zubieta, Jon; Beckmann, Jens; Haase, Hajo; Yücesan, Gündoğ","Mimicking cellular phospholipid bilayer packing creates predictable crystalline molecular metal‒organophosphonate macrocycles and cages","CrystEngComm","2018","20","15","2152","","10.1039/C8CE00072G","","","0.71073","MoKα","","0.1062","0.0695","","","0.1614","0.174","","","","","","1.043","","","","has coordinates","229098","2020-10-21","18:00:00",""
"7230296","12.2401","0.0004","12.5701","0.0004","13.419","0.0005","93.658","0.002","94.07","0.002","94.367","0.002","2048.47","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H38 Cu2 N4 O15 P4 -","- C40 H38 Cu2 N4 O15 P4 -","- C80 H76 Cu4 N8 O30 P8 -","2","1","","Bulut, Aysun; Maares, Maria; Atak, Kaan; Zorlu, Yunus; Çoşut, Bünyemin; Zubieta, Jon; Beckmann, Jens; Haase, Hajo; Yücesan, Gündoğ","Mimicking cellular phospholipid bilayer packing creates predictable crystalline molecular metal‒organophosphonate macrocycles and cages","CrystEngComm","2018","20","15","2152","","10.1039/C8CE00072G","","","0.71073","MoKα","","0.0443","0.0314","","","0.0735","0.0788","","","","","","1.071","","","","has coordinates","229098","2020-10-21","18:00:00",""
"7230297","7.81632","0.00004","7.81632","0.00004","4.01147","0.00003","90","","90","","120","","212.246","0.002","305","","305","","","","","","","","","2","P 6/m m m","-P 6 2","191","","Scandium Fluoride","","- F3 Sc -","- F3 Sc -","- F9 Sc3 -","3","0.125","","Kasatkin, Igor A.; Gulina, Larisa B.; Platonova, Natalia V.; Tolstoy, Valeri P.; Murin, Igor V.","Strong negative thermal expansion in the hexagonal polymorph of ScF3","CrystEngComm","2018","20","20","2768","","10.1039/C8CE00257F","","","1.54056","","","0.098","","","","","","","","","","","","","","","has coordinates","229044","2020-10-21","18:00:00",""
"7230298","7.8163","0.00004","7.8163","0.00004","8.02294","0.00005","90","","90","","120","","424.489","0.004","305","","305","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Scandium Fluoride","","- F3 Sc -","- F3 Sc -","- F18 Sc6 -","6","0.25","","Kasatkin, Igor A.; Gulina, Larisa B.; Platonova, Natalia V.; Tolstoy, Valeri P.; Murin, Igor V.","Strong negative thermal expansion in the hexagonal polymorph of ScF3","CrystEngComm","2018","20","20","2768","","10.1039/C8CE00257F","","","1.54056","","","0.094","","","","","","","","","","","","","","","has coordinates","229044","2020-10-21","18:00:00",""
"7230299","11.7678","0.0007","7.1966","0.0005","17.1615","0.0011","90","","90","","90","","1453.38","0.16","100","2","100.05","","","","","","","","","4","P b c a","-P 2ac 2ab","61","Acetaminophen","","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C64 H72 N8 O16 -","8","1","","Bolla, Geetha; Myerson, Allan S.","SURMOF induced polymorphism and crystal morphological engineering of acetaminophen polymorphs: advantage of heterogeneous nucleation","CrystEngComm","2018","20","15","2084","","10.1039/C8CE00272J","","","0.71073","MoKα","","0.0417","0.0386","","","0.1131","0.116","","","","","","1.082","","","","has coordinates","229097","2020-10-21","18:00:00",""
"7230304","15.225","0.003","19.518","0.004","10.927","0.002","90","","93.42","0.03","90","","3241.3","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H34 Cu3 N6 O10 -","- C24 H22 Cu3 N4 O10 -","- C96 H88 Cu12 N16 O40 -","4","0.5","","Yuan, Jiaqi; Mu, Li; Li, Jiantang; Zhang, Lirong; Li, Guanghua; Huo, Qisheng; Liu, Yunling","A water stable microporous metal‒organic framework based on rod SBUs: synthesis, structure and adsorption properties","CrystEngComm","2018","20","15","2169","","10.1039/C8CE00064F","","","0.71073","MoKα","","0.0217","0.0192","","","0.0522","0.053","","","","","","1.088","","","","has coordinates","229096","2020-10-21","18:00:00",""
"7230307","9.7557","0.0004","10.0386","0.0004","11.7809","0.0004","90","","100.132","0.003","90","","1135.75","0.08","270","2","270","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 F3 N2 O3 S -","- C9 H6 F3 N2 O3 S -","- C36 H24 F12 N8 O12 S4 -","4","1","","Mondal, Pradip Kumar; Rao, Varun; Chopra, Deepak","Capturing the metastable state in the spontaneous and reversible single-crystal-to-single-crystal phase transition of riluzolium oxalate","CrystEngComm","2018","20","15","2079","","10.1039/C8CE00283E","","","0.71073","MoKα","","0.1072","0.0753","","","0.2202","0.2453","","","","","","1.049","","","","has coordinates","229093","2020-10-21","18:00:00",""
"7230308","9.6547","0.0005","10.057","0.0005","11.7482","0.0005","90","","100.553","0.004","90","","1121.42","0.09","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 F3 N2 O3 S -","- C9 H6 F3 N2 O3 S -","- C36 H24 F12 N8 O12 S4 -","4","1","","Mondal, Pradip Kumar; Rao, Varun; Chopra, Deepak","Capturing the metastable state in the spontaneous and reversible single-crystal-to-single-crystal phase transition of riluzolium oxalate","CrystEngComm","2018","20","15","2079","","10.1039/C8CE00283E","","","0.71073","MoKα","","0.0768","0.051","","","0.126","0.1424","","","","","","1.053","","","","has coordinates,has disorder","229093","2020-10-21","18:00:00",""
"7230309","18.786","0.003","20.184","0.003","11.6566","0.0017","90","","101.624","0.009","90","","4329.3","1.1","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C18 H12 F6 N4 O6 S2 -","- C18 H12 F6 N4 O6 S2 -","- C144 H96 F48 N32 O48 S16 -","8","2","","Mondal, Pradip Kumar; Rao, Varun; Chopra, Deepak","Capturing the metastable state in the spontaneous and reversible single-crystal-to-single-crystal phase transition of riluzolium oxalate","CrystEngComm","2018","20","15","2079","","10.1039/C8CE00283E","","","0.71073","MoKα","","0.1697","0.0736","","","0.1309","0.1626","","","","","","0.94","","","","has coordinates","229093","2020-10-21","18:00:00",""
"7230310","18.9397","0.0012","20.1917","0.0012","11.7038","0.0007","90","","101.45","0.003","90","","4386.7","0.5","170","2","170","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C18 H12 F6 N4 O6 S2 -","- C18 H12 F6 N4 O6 S2 -","- C144 H96 F48 N32 O48 S16 -","8","2","","Mondal, Pradip Kumar; Rao, Varun; Chopra, Deepak","Capturing the metastable state in the spontaneous and reversible single-crystal-to-single-crystal phase transition of riluzolium oxalate","CrystEngComm","2018","20","15","2079","","10.1039/C8CE00283E","","","0.71073","MoKα","","0.0705","0.0485","","","0.1192","0.1336","","","","","","1.06","","","","has coordinates","229093","2020-10-21","18:00:00",""
"7230311","9.5229","0.0013","10.1012","0.0011","11.7207","0.0014","90","","101.215","0.008","90","","1105.9","0.2","190","2","190","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 F3 N2 O3 S -","- C9 H6 F3 N2 O3 S -","- C36 H24 F12 N8 O12 S4 -","4","1","","Mondal, Pradip Kumar; Rao, Varun; Chopra, Deepak","Capturing the metastable state in the spontaneous and reversible single-crystal-to-single-crystal phase transition of riluzolium oxalate","CrystEngComm","2018","20","15","2079","","10.1039/C8CE00283E","","","0.71073","MoKα","","0.1073","0.0738","","","0.1959","0.2203","","","","","","1.096","","","","has coordinates,has disorder","229093","2020-10-21","18:00:00",""
"7230312","19.044","0.003","20.209","0.002","11.7215","0.0014","90","","101.207","0.008","90","","4425.1","1","190","2","190","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C18 H12 F6 N4 O6 S2 -","- C18 H12 F6 N4 O6 S2 -","- C144 H96 F48 N32 O48 S16 -","8","2","","Mondal, Pradip Kumar; Rao, Varun; Chopra, Deepak","Capturing the metastable state in the spontaneous and reversible single-crystal-to-single-crystal phase transition of riluzolium oxalate","CrystEngComm","2018","20","15","2079","","10.1039/C8CE00283E","","","0.71073","MoKα","","0.1165","0.0802","","","0.2145","0.2591","","","","","","1.11","","","","has coordinates,has disorder","229093","2020-10-21","18:00:00",""
"7230315","14.5415","0.0018","5.0163","0.0006","14.8807","0.0018","90","","100.551","0.002","90","","1067.1","0.2","173","2","173","2","","","","","","","non-photochromic","4","P 1 21/n 1","-P 2yn","14","5Me3SAP","3-ethoxy-6-[(E)-3-pyridyliminomethyl]phenol","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Sugiyama, Haruki; Uekusa, Hidehiro","Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives","CrystEngComm","2018","20","15","2144","","10.1039/C8CE00003D","","","0.71075","MoKα","","0.0543","0.0426","","","0.1112","0.1185","","","","","","1.049","","","","has coordinates","229094","2020-10-21","18:00:00",""
"7230316","6.1596","0.0004","7.4634","0.0004","12.7106","0.0006","77.175","0.003","81.457","0.003","78.821","0.003","555.53","0.05","293","2","293","2","","","","","","","non-photochromic","4","P -1","-P 1","2","5OMe-3SAP","4-methoxy-2-[(E)-3-pyridyliminomethyl]phenol","","- C13 H12 N2 O2 -","- C13 H12 N2 O2 -","- C26 H24 N4 O4 -","2","1","","Sugiyama, Haruki; Uekusa, Hidehiro","Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives","CrystEngComm","2018","20","15","2144","","10.1039/C8CE00003D","","","1.54186","CuKα","","0.0807","0.0618","","","0.1638","0.1998","","","","","","1.062","","","","has coordinates","229094","2020-10-21","18:00:00",""
"7230317","8.5222","0.0014","10.8771","0.0015","11.5925","0.0019","106.506","0.006","103.783","0.004","112.254","0.01","878.2","0.3","298","2","298","2","","","","","","","non-photochromic","5","P -1","-P 1","2","5Br3SAP-3,4OHBA","4-bromo-2-[(E)-3-pyridyliminomethyl]phenol/3,4-dihydroxybenzoic acid","","- C19 H15 Br N2 O5 -","- C19 H15 Br N2 O5 -","- C38 H30 Br2 N4 O10 -","2","1","","Sugiyama, Haruki; Uekusa, Hidehiro","Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives","CrystEngComm","2018","20","15","2144","","10.1039/C8CE00003D","","","0.71075","MoKα","","0.1664","0.0644","","","0.1234","0.1606","","","","","","0.963","","","","has coordinates","229094","2020-10-21","18:00:00",""
"7230318","33.0322","0.0016","6.2046","0.0003","18.52","0.0008","90","","109.216","0.001","90","","3584.2","0.3","296","2","296","2","","","","","","","photochromic","6","C 1 2/c 1","-C 2yc","15","5Br3SAP-4ClBA","4-bromo-2-[(E)-3-pyridyliminomethyl]phenol, 4-chlorobenzoic acid","","- C19 H14 Br Cl N2 O3 -","- C19 H14 Br Cl N2 O3 -","- C152 H112 Br8 Cl8 N16 O24 -","8","1","","Sugiyama, Haruki; Uekusa, Hidehiro","Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives","CrystEngComm","2018","20","15","2144","","10.1039/C8CE00003D","","","0.71075","MoKα","","0.0691","0.0452","","","0.1144","0.1468","","","","","","1.093","","","","has coordinates","229094","2020-10-21","18:00:00",""
"7230319","5.8531","0.0009","7.5224","0.0012","13.598","0.002","94.526","0.007","93.369","0.007","99.31","0.007","587.42","0.16","293","2","293","2","","","","","","","non-photochromic","5","P -1","-P 1","2","5Br-5M3SAP","(E)-4-bromo-2-(((5-methylpyridin-3-yl)imino)methyl)phenol","","- C13 H11 Br N2 O -","- C13 H11 Br N2 O -","- C26 H22 Br2 N4 O2 -","2","1","","Sugiyama, Haruki; Uekusa, Hidehiro","Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives","CrystEngComm","2018","20","15","2144","","10.1039/C8CE00003D","","","0.71075","MoKα","","0.0496","0.0341","","","0.0766","0.0826","","","","","","1.011","","","","has coordinates","229094","2020-10-21","18:00:00",""
"7230320","5.8388","0.0013","7.4762","0.0017","13.369","0.003","93.793","0.007","93.656","0.007","99.044","0.007","573.4","0.2","293","2","293","2","","","","","","","non-photochromic","5","P -1","-P 1","2","5Cl-5Me3SAP","4-chloro-6-[(E)-3-pyridylimino-5-methyl]phenol","","- C13 H11 Cl N2 O -","- C13 H11 Cl N2 O -","- C26 H22 Cl2 N4 O2 -","2","1","","Sugiyama, Haruki; Uekusa, Hidehiro","Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives","CrystEngComm","2018","20","15","2144","","10.1039/C8CE00003D","","","0.71075","MoKα","","0.0518","0.0418","","","0.1126","0.1196","","","","","","1.055","","","","has coordinates","229094","2020-10-21","18:00:00",""
"7230321","32.6081","0.0014","6.1424","0.0003","17.8481","0.0008","90","","106.922","0.003","90","","3420","0.3","173","2","173","2","","","","","","","photochromic","5","C 1 2/c 1","-C 2yc","15","5Br3SAP-BA","4-bromo-2-[(E)-3-pyridyliminomethyl]phenol/benzoic acid","","- C19 H15 Br N2 O3 -","- C19 H15 Br N2 O3 -","- C152 H120 Br8 N16 O24 -","8","1","","Sugiyama, Haruki; Uekusa, Hidehiro","Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives","CrystEngComm","2018","20","15","2144","","10.1039/C8CE00003D","","","1.54186","CuKα","","0.0499","0.0416","","","0.1075","0.1145","","","","","","1.072","","","","has coordinates","229094","2020-10-21","18:00:00",""
"7230322","6.0801","0.0005","15.186","0.0013","16.4018","0.0014","90","","90","","90","","1514.4","0.2","293","2","293","2","","","","","","","non-photochromic","4","P 21 21 21","P 2ac 2ab","19","3Me-5MSAP","(E)-2-(tert-butyl)-6-(((5-methylpyridin-3-yl)imino)methyl)phenol","","- C17 H20 N2 O -","- C17 H20 N2 O -","- C68 H80 N8 O4 -","4","1","","Sugiyama, Haruki; Uekusa, Hidehiro","Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives","CrystEngComm","2018","20","15","2144","","10.1039/C8CE00003D","","","0.71075","MoKα","","0.0573","0.0473","","","0.115","0.1221","","","","","","1.052","","","","has coordinates","229094","2020-10-21","18:00:00",""
"7230323","8.2123","0.0002","12.336","0.0002","13.0008","0.0002","65.655","0.001","78.648","0.001","83.568","0.001","1175.78","0.04","296","2","296","2","","","","","","","photochromic","5","P 1","P 1","1","5Br3SAP-35OHBA","4-bromo-2-[(E)-3-pyridyliminomethyl]phenol, 3,5-dihydroxybenzoic acid","","- C50 H39 Br3 N6 O11 -","- C50 H39 Br3 N6 O11 -","- C50 H39 Br3 N6 O11 -","1","1","","Sugiyama, Haruki; Uekusa, Hidehiro","Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives","CrystEngComm","2018","20","15","2144","","10.1039/C8CE00003D","","","1.54186","CuKα","","0.065","0.0464","","","0.1011","0.1303","","","","","","1.123","","","","has coordinates","229094","2020-10-21","18:00:00",""
"7230324","34.7332","0.0018","3.8928","0.0002","28.2337","0.0015","90","","99.982","0.002","90","","3759.7","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","5Br3SAP-35OHBA","4-bromo-2-[(E)-3-pyridyliminomethyl]phenol, 3,5-chrolobenzoic acid","","- C19 H13 Br Cl2 N2 O3 -","- C19 H13 Br Cl2 N2 O3 -","- C152 H104 Br8 Cl16 N16 O24 -","8","1","","Sugiyama, Haruki; Uekusa, Hidehiro","Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives","CrystEngComm","2018","20","15","2144","","10.1039/C8CE00003D","","","1.54186","CuKα","","0.1411","0.0982","","","0.2357","0.2972","","","","","","1.194","","","","has coordinates","229094","2020-10-21","18:00:00",""
"7230325","14.6532","0.0003","4.5263","0.0001","18.6301","0.0004","90","","92.499","0.002","90","","1234.46","0.05","293","2","293","2","","","","","","","non-photochromic","5","P 1 21/n 1","-P 2yn","14","35Br-3SAP","2,4-dibromo-6-[(E)-3-pyridyliminomethyl]phenol","","- C12 H8 Br2 N2 O -","- C12 H8 Br2 N2 O -","- C48 H32 Br8 N8 O4 -","4","1","","Sugiyama, Haruki; Uekusa, Hidehiro","Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives","CrystEngComm","2018","20","15","2144","","10.1039/C8CE00003D","","","1.54186","CuKα","","0.0471","0.0384","","","0.0988","0.1027","","","","","","1.038","","","","has coordinates","229094","2020-10-21","18:00:00",""
"7230326","26.1636","0.0006","3.8091","0.0001","34.4455","0.0006","90","","137.464","0.001","90","","2320.78","0.1","293","2","293","2","","","","","","","photochromic","5","C 1 2/c 1","-C 2yc","15","35Cl-3SAP","2,4-dichloro6-[(E)-3-pyridyliminomethyl]phenol","","- C12 H8 Cl2 N2 O -","- C12 H8 Cl2 N2 O -","- C96 H64 Cl16 N16 O8 -","8","1","","Sugiyama, Haruki; Uekusa, Hidehiro","Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives","CrystEngComm","2018","20","15","2144","","10.1039/C8CE00003D","","","1.54186","CuKα","","0.0603","0.0455","","","0.1208","0.1315","","","","","","1.099","","","","has coordinates","229094","2020-10-21","18:00:00",""
"7230327","32.818","0.008","6.238","0.0015","18.465","0.005","90","","109.44","0.004","90","","3564.6","1.6","296","2","296","2","","","","","","","photochromic","5","C 1 2/c 1","-C 2yc","15","5Cl3SAP-4ClBA","4-chloro-2-[(E)-3-pyridyliminomethyl]phenol, 4-chlorobenzoic acid","","- C19 H14 Cl2 N2 O3 -","- C19 H14 Cl2 N2 O3 -","- C152 H112 Cl16 N16 O24 -","8","1","","Sugiyama, Haruki; Uekusa, Hidehiro","Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives","CrystEngComm","2018","20","15","2144","","10.1039/C8CE00003D","","","0.71075","MoKα","","0.081","0.0456","","","0.1141","0.1481","","","","","","1.055","","","","has coordinates","229094","2020-10-21","18:00:00",""
"7230328","37.206","0.003","7.3594","0.0006","7.5694","0.0006","90","","91.589","0.002","90","","2071.8","0.3","296","2","296","2","","","","","","","photochromic","5","C 1 2 1","C 2y","5","35Br3SAP-35NO2BA","2,4-dibromo-6-[(E)-3-pyridyliminomethyl]phenol, 3,5-dinitrobenzoic acid","","- C19 H12 Br2 N4 O7 -","- C19 H12 Br2 N4 O7 -","- C76 H48 Br8 N16 O28 -","4","1","","Sugiyama, Haruki; Uekusa, Hidehiro","Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives","CrystEngComm","2018","20","15","2144","","10.1039/C8CE00003D","","","0.71075","MoKα","","0.0967","0.0473","","","0.1044","0.1427","","","","","","1.082","","","","has coordinates","229094","2020-10-21","18:00:00",""
"7230329","33.7985","0.0006","6.9174","0.0001","6.1746","0.0001","90","","92.79","0.001","90","","1441.9","0.04","173","2","173","2","","","","","","","non-photochromic","6","P 1 21/c 1","-P 2ybc","14","5Br3SAP-14IBz","4-bromo-2-[(E)-3-pyridyliminomethyl]phenol, 1,4-diiodobenzene","","- C15 H11 Br I N2 O -","- C15 H11 Br I N2 O -","- C60 H44 Br4 I4 N8 O4 -","4","1","","Sugiyama, Haruki; Uekusa, Hidehiro","Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives","CrystEngComm","2018","20","15","2144","","10.1039/C8CE00003D","","","1.54186","CuKα","","0.034","0.0316","","","0.0757","0.0786","","","","","","1.094","","","","has coordinates","229094","2020-10-21","18:00:00",""
"7230330","6.1462","0.0006","18.7572","0.0019","16.1025","0.0016","90","","95.859","0.002","90","","1846.7","0.3","297","2","297","2","","","","","","","photochromic","4","P 1 21 1","P 2yb","4","35tBu-3SAP","2,4-tert-butyl-6-[(E)-3-pyridyliminomethyl]phenol","","- C20 H26 N2 O -","- C20 H26 N2 O -","- C80 H104 N8 O4 -","4","2","","Sugiyama, Haruki; Uekusa, Hidehiro","Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives","CrystEngComm","2018","20","15","2144","","10.1039/C8CE00003D","","","0.71075","MoKα","","0.1515","0.0686","","","0.1397","0.1736","","","","","","1.03","","","","has coordinates,has disorder","229094","2020-10-21","18:00:00",""
"7230331","6.1651","0.0012","66.924","0.013","6.833","0.0013","90","","90","","90","","2819.2","0.9","93","2","93","2","","","","","","","non-photochromic","6","P n m a","-P 2ac 2n","62","5Br3SAP-13IBz","4-bromo-2-[(E)-3-pyridyliminomethyl]phenol, 1,3-diiodobenzene","","- C15 H11 Br I N2 O -","- C15 H11 Br I N2 O -","- C120 H88 Br8 I8 N16 O8 -","8","1","","Sugiyama, Haruki; Uekusa, Hidehiro","Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives","CrystEngComm","2018","20","15","2144","","10.1039/C8CE00003D","","","0.6998","","","0.0339","0.0294","","","0.0768","0.0797","","","","","","1.06","","","","has coordinates","229094","2020-10-21","18:00:00",""
"7230332","3.8264","0.0001","20.7111","0.0007","21.2587","0.0008","90","","93.89","0.002","90","","1680.85","0.1","173","2","173","2","","","","","","","non-photochromic","5","P 1 21/c 1","-P 2ybc","14","5Br3SAP-2OHBA","4-bromo-2-[(E)-3-pyridyliminomethyl]phenol/2hydroxybenzoic acid","","- C19 H15 Br N2 O4 -","- C19 H15 Br N2 O4 -","- C76 H60 Br4 N8 O16 -","4","1","","Sugiyama, Haruki; Uekusa, Hidehiro","Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives","CrystEngComm","2018","20","15","2144","","10.1039/C8CE00003D","","","1.54186","CuKα","","0.0337","0.0312","","","0.0809","0.0834","","","","","","1.101","","","","has coordinates","229094","2020-10-21","18:00:00",""
"7230333","41.659","0.005","24.658","0.003","4.842","0.0006","90","","90","","90","","4973.8","1","293","2","293","2","","","","","","","non-photochromic","4","F d d 2","F 2 -2d","43","3OEt-3SAP","3-ethoxy-6-[(E)-3-pyridyliminomethyl]phenol","","- C14 H14 N2 O2 -","- C14 H14 N2 O2 -","- C224 H224 N32 O32 -","16","1","","Sugiyama, Haruki; Uekusa, Hidehiro","Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives","CrystEngComm","2018","20","15","2144","","10.1039/C8CE00003D","","","0.71075","MoKα","","0.0767","0.0474","","","0.1018","0.1202","","","","","","1.006","","","","has coordinates","229094","2020-10-21","18:00:00",""
"7230334","13.1386","0.0003","7.1572","0.0002","11.8627","0.0002","90","","116.8","0.001","90","","995.69","0.04","293","2","293","2","","","","","","","non-photochromic","4","P 1 21/c 1","-P 2ybc","14","4OH-3SAP","3hydroxy-6-[(E)-3-pyridyliminomethyl]phenol","","- C12 H10 N2 O2 -","- C12 H10 N2 O2 -","- C48 H40 N8 O8 -","4","1","","Sugiyama, Haruki; Uekusa, Hidehiro","Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives","CrystEngComm","2018","20","15","2144","","10.1039/C8CE00003D","","","1.54186","CuKα","","0.0439","0.0402","","","0.1153","0.1201","","","","","","1.08","","","","has coordinates","229094","2020-10-21","18:00:00",""
"7230335","37.851","0.002","6.9901","0.0004","6.168","0.003","90","","90.041","0.002","90","","1631.9","0.8","93","2","93","2","","","","","","","non-photochromic","6","P 1 21/c 1","-P 2ybc","14","5Br3SAP-14IbiPh","4-bromo-2-[(E)-3-pyridyliminomethyl]phenol, 1,4-diiodobiphenyl","","- C18 H13 Br I N2 O -","- C18 H13 Br I N2 O -","- C72 H52 Br4 I4 N8 O4 -","4","1","","Sugiyama, Haruki; Uekusa, Hidehiro","Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives","CrystEngComm","2018","20","15","2144","","10.1039/C8CE00003D","","","0.71075","MoKα","","0.0417","0.0377","","","0.0813","0.0838","","","","","","1.05","","","","has coordinates","229094","2020-10-21","18:00:00",""
"7230336","6.8909","0.0004","11.4787","0.0006","13.1419","0.0007","76.205","0.004","89.221","0.004","85.231","0.004","1006.01","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H26 Cl N O8 -","- C20 H26 Cl N O8 -","- C40 H52 Cl2 N2 O16 -","2","1","","Singh, Manjeet; Bhandary, Subhrajyoti; Bhowal, Rohit; Chopra, Deepak","Observation of bending, cracking and jumping phenomena on cooling and heating of tetrahydrate berberine chloride crystals","CrystEngComm","2018","20","16","2253","","10.1039/C8CE00114F","","","0.71073","MoKα","","0.1036","0.058","","","0.1443","0.1786","","","","","","1.006","","","","has coordinates","229022","2020-10-21","18:00:00",""
"7230337","27.449","0.007","7.0744","0.0017","21.677","0.006","90","","117.695","0.007","90","","3727.1","1.7","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H22 Cl N O6 -","- C20 H22 Cl N O6 -","- C160 H176 Cl8 N8 O48 -","8","1","","Singh, Manjeet; Bhandary, Subhrajyoti; Bhowal, Rohit; Chopra, Deepak","Observation of bending, cracking and jumping phenomena on cooling and heating of tetrahydrate berberine chloride crystals","CrystEngComm","2018","20","16","2253","","10.1039/C8CE00114F","","","0.71073","MoKα","","0.1602","0.0668","","","0.1078","0.1273","","","","","","1.023","","","","has coordinates","229022","2020-10-21","18:00:00",""
"7230338","13.7071","0.0005","14.3458","0.0008","20.3751","0.0008","90","","90","","90","","4006.5","0.3","100.6","0.4","100.6","0.4","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C32 H46 Cu2 N10 O13 -","- C32 H46 Cu2 N10 O12.99 -","- C128 H184 Cu8 N40 O51.96 -","4","0.5","","Androš Dubraja, Lidija; Jerić, Ivanka; Puškarić, Andreas; Bronić, Josip; Moreno-Pineda, Eufemio","Coordination ability of amino acid hydrazide ligands and their influence on magnetic properties in copper(ii) coordination polymers","CrystEngComm","2018","20","17","2396","","10.1039/C8CE00210J","","x-ray","1.54184","CuKα","","0.0737","0.0606","","","0.1486","0.1603","","","","","","1.039","","","","has coordinates,has disorder","228997","2020-10-21","18:00:00",""
"7230339","12.75","0.005","19.729","0.005","20.627","0.005","90","0.005","90","0.005","90","0.005","5189","3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C46 H58 Cu3 N12 O15 -","- C46 H58 Cu3 N12 O15 -","- C184 H232 Cu12 N48 O60 -","4","1","","Androš Dubraja, Lidija; Jerić, Ivanka; Puškarić, Andreas; Bronić, Josip; Moreno-Pineda, Eufemio","Coordination ability of amino acid hydrazide ligands and their influence on magnetic properties in copper(ii) coordination polymers","CrystEngComm","2018","20","17","2396","","10.1039/C8CE00210J","","x-ray","1.54184","CuKα","","0.0647","0.0483","","","0.1147","0.1248","","","","","","1.008","","","","has coordinates","228997","2020-10-21","18:00:00",""
"7230340","23.705","0.002","5.4148","0.0006","5.4345","0.0006","90","","90","","90","","697.56","0.12","298","2","298","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","Bismuth Tungstate","","- Bi2 O9 W2 -","- Bi2 O9 W2 -","- Bi8 O36 W8 -","4","0.5","","Tian, Xiangxin; Gao, Zeliang; Chen, Feifei; Wu, Qian; Li, Conggang; Lu, Weiqun; Sun, Youxuan; Tao, Xutang","Insights into the polymorphism of Bi2W2O9: single crystal growth and a complete survey of the variable-temperature thermal and dielectric properties","CrystEngComm","2018","20","19","2669","","10.1039/C8CE00189H","","","0.71073","MoKα","","0.0313","0.0258","","","0.0674","0.071","","","","","","1.071","","","","has coordinates","229017","2020-10-21","18:00:00",""
"7230341","7.8674","0.0006","17.7109","0.0016","21.9456","0.0018","90","","98.763","0.002","90","","3022.2","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 I6 N2 O0 Pb2 -","- C16 H22 I6 N2 Pb2 -","- C64 H88 I24 N8 Pb8 -","4","1","","Wang, Yifang; Zhang, Jie; Huang, Jia; Zhang, Haoyu; Fu, Zhiyong","A lead-iodide based single crystal semiconductor: exploring multi-orientation photoconductive behaviour via intervening isopropyl viologen component between the inorganic [Pb2I6]2−n wires","CrystEngComm","2018","20","15","2089","","10.1039/C8CE00153G","","","0.71073","MoKα","","0.0583","0.0391","","","0.0898","0.103","","","","","","1.001","","","","has coordinates","229095","2020-10-21","18:00:00",""
"7230349","7.0822","0.0001","15.6783","0.0002","14.5087","0.0002","90","","96.968","0.001","90","","1599.1","0.04","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H9 F6 N -","- C19 H9 F6 N -","- C76 H36 F24 N4 -","4","1","","Alapour, S.; Zamisa, S. J.; Silva, J. R. A.; Alves, C. N.; Omondi, B.; Ramjugernath, D.; Koorbanally, N. A.","Investigations into the flexibility of the 3D structure and rigid backbone of quinoline by fluorine addition to enhance its blue emission","CrystEngComm","2018","20","16","2316","","10.1039/C8CE00094H","","","0.71073","MoKα","","0.0517","0.0458","","","0.118","0.1232","","","","","","1.049","","","","has coordinates","229019","2020-10-21","18:00:00",""
"7230350","15.1227","0.0003","15.8558","0.0003","14.7066","0.0003","90","","111.484","0.001","90","","3281.37","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H11 F6 N -","- C20 H11 F6 N -","- C160 H88 F48 N8 -","8","2","","Alapour, S.; Zamisa, S. J.; Silva, J. R. A.; Alves, C. N.; Omondi, B.; Ramjugernath, D.; Koorbanally, N. A.","Investigations into the flexibility of the 3D structure and rigid backbone of quinoline by fluorine addition to enhance its blue emission","CrystEngComm","2018","20","16","2316","","10.1039/C8CE00094H","","","0.71073","MoKα","","0.0746","0.0413","","","0.0897","0.1043","","","","","","1.018","","","","has coordinates","229019","2020-10-21","18:00:00",""
"7230351","15.2613","0.0002","15.7199","0.0003","14.1251","0.0002","90","","92.822","0.001","90","","3384.59","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H8 F9 N -","- C20 H8 F9 N -","- C160 H64 F72 N8 -","8","2","","Alapour, S.; Zamisa, S. J.; Silva, J. R. A.; Alves, C. N.; Omondi, B.; Ramjugernath, D.; Koorbanally, N. A.","Investigations into the flexibility of the 3D structure and rigid backbone of quinoline by fluorine addition to enhance its blue emission","CrystEngComm","2018","20","16","2316","","10.1039/C8CE00094H","","","0.71073","MoKα","","0.0467","0.0367","","","0.0918","0.1019","","","","","","1.043","","","","has coordinates","229019","2020-10-21","18:00:00",""
"7230352","10.5779","0.0002","8.9018","0.0002","16.0143","0.0004","90","","98.611","0.001","90","","1490.95","0.06","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H12 F3 N -","- C19 H12 F3 N -","- C76 H48 F12 N4 -","4","1","","Alapour, S.; Zamisa, S. J.; Silva, J. R. A.; Alves, C. N.; Omondi, B.; Ramjugernath, D.; Koorbanally, N. A.","Investigations into the flexibility of the 3D structure and rigid backbone of quinoline by fluorine addition to enhance its blue emission","CrystEngComm","2018","20","16","2316","","10.1039/C8CE00094H","","","0.71073","MoKα","","0.0575","0.0461","","","0.1234","0.1332","","","","","","1.038","","","","has coordinates","229019","2020-10-21","18:00:00",""
"7230353","15.848","0.0015","15.2591","0.0014","24.008","0.002","90","","107.003","0.002","90","","5552","0.9","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H9 F6 N -","- C16 H9 F6 N -","- C256 H144 F96 N16 -","16","2","","Alapour, S.; Zamisa, S. J.; Silva, J. R. A.; Alves, C. N.; Omondi, B.; Ramjugernath, D.; Koorbanally, N. A.","Investigations into the flexibility of the 3D structure and rigid backbone of quinoline by fluorine addition to enhance its blue emission","CrystEngComm","2018","20","16","2316","","10.1039/C8CE00094H","","","0.71073","MoKα","","0.0562","0.0393","","","0.1011","0.1127","","","","","","1.022","","","","has coordinates,has disorder","229019","2020-10-21","18:00:00",""
"7230354","9.6056","0.0004","9.6645","0.0003","18.9511","0.0009","102.483","0.001","100.815","0.002","90.058","0.003","1685.61","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H11 F6 N -","- C20 H11 F6 N -","- C80 H44 F24 N4 -","4","2","","Alapour, S.; Zamisa, S. J.; Silva, J. R. A.; Alves, C. N.; Omondi, B.; Ramjugernath, D.; Koorbanally, N. A.","Investigations into the flexibility of the 3D structure and rigid backbone of quinoline by fluorine addition to enhance its blue emission","CrystEngComm","2018","20","16","2316","","10.1039/C8CE00094H","","","0.71073","MoKα","","0.061","0.0498","","","0.1321","0.1418","","","","","","1.039","","","","has coordinates,has disorder","229019","2020-10-21","18:00:00",""
"7230355","7.5758","0.0003","11.2809","0.0005","16.6769","0.0009","103.657","0.003","101.408","0.003","105.29","0.002","1283.47","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H12 F3 N -","- C16 H12 F3 N -","- C64 H48 F12 N4 -","4","2","","Alapour, S.; Zamisa, S. J.; Silva, J. R. A.; Alves, C. N.; Omondi, B.; Ramjugernath, D.; Koorbanally, N. A.","Investigations into the flexibility of the 3D structure and rigid backbone of quinoline by fluorine addition to enhance its blue emission","CrystEngComm","2018","20","16","2316","","10.1039/C8CE00094H","","","0.71073","MoKα","","0.0566","0.0402","","","0.1053","0.1159","","","","","","1.024","","","","has coordinates","229019","2020-10-21","18:00:00",""
"7230356","10.2655","0.0004","17.261","0.0006","13.9511","0.0005","90","","90.431","0.002","90","","2471.96","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 F3 N -","- C15 H10 F3 N -","- C120 H80 F24 N8 -","8","2","","Alapour, S.; Zamisa, S. J.; Silva, J. R. A.; Alves, C. N.; Omondi, B.; Ramjugernath, D.; Koorbanally, N. A.","Investigations into the flexibility of the 3D structure and rigid backbone of quinoline by fluorine addition to enhance its blue emission","CrystEngComm","2018","20","16","2316","","10.1039/C8CE00094H","","","0.71073","MoKα","","0.0984","0.0623","","","0.1643","0.1901","","","","","","1.044","","","","has coordinates,has disorder","229019","2020-10-21","18:00:00",""
"7230357","9.0038","0.0002","9.5959","0.0004","10.8293","0.0001","71.665","0.001","75.536","0.003","63.7","0.002","789.48","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H14 F3 N -","- C20 H14 F3 N -","- C40 H28 F6 N2 -","2","1","","Alapour, S.; Zamisa, S. J.; Silva, J. R. A.; Alves, C. N.; Omondi, B.; Ramjugernath, D.; Koorbanally, N. A.","Investigations into the flexibility of the 3D structure and rigid backbone of quinoline by fluorine addition to enhance its blue emission","CrystEngComm","2018","20","16","2316","","10.1039/C8CE00094H","","","0.71073","MoKα","","0.0453","0.0354","","","0.0922","0.0993","","","","","","1.04","","","","has coordinates","229019","2020-10-21","18:00:00",""
"7230358","10.7741","0.0005","16.4781","0.0007","22.9605","0.001","109.808","0.002","90.168","0.002","90.052","0.002","3835.1","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H20 F3 N -","- C23 H20 F3 N -","- C184 H160 F24 N8 -","8","4","","Alapour, S.; Zamisa, S. J.; Silva, J. R. A.; Alves, C. N.; Omondi, B.; Ramjugernath, D.; Koorbanally, N. A.","Investigations into the flexibility of the 3D structure and rigid backbone of quinoline by fluorine addition to enhance its blue emission","CrystEngComm","2018","20","16","2316","","10.1039/C8CE00094H","","","0.71073","MoKα","","0.0753","0.0558","","","0.1317","0.1443","","","","","","1.035","","","","has coordinates,has disorder","229019","2020-10-21","18:00:00",""
"7230359","18.5534","0.0002","22.8539","0.0003","20.0964","0.0003","90","","107.354","0.0015","90","","8133.3","0.2","291.11","0.1","293","2","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C60 H20 Cd N4 O24 -","- C60 H20 Cd N4 O24 -","- C240 H80 Cd4 N16 O96 -","4","0.5","","Xu, Hui-Ling; Zeng, Xiao-Shan; Li, Jie; Xu, Yu-Ci; Qiu, Hai-Jiang; Xiao, Dong-Rong","The impact of metal ions on photoinduced electron-transfer properties: four photochromic metal‒organic frameworks based on a naphthalenediimide chromophore","CrystEngComm","2018","20","17","2430","","10.1039/C8CE00213D","","","1.54184","CuKα","","0.0599","0.055","","","0.15","0.1555","","","","","","1.046","","","","has coordinates","229001","2020-10-21","18:00:00",""
"7230360","10.2186","0.0002","36.8564","0.0009","15.2343","0.0004","90","","90","","90","","5737.6","0.2","99.98","0.02","99.98","0.02","","","","","","","","5","P b n m","-P 2c 2ab","62","","","","- C34 H13 N4 O14 Zn2 -","- C34 H13 N4 O14 Zn2 -","- C136 H52 N16 O56 Zn8 -","4","0.5","","Xu, Hui-Ling; Zeng, Xiao-Shan; Li, Jie; Xu, Yu-Ci; Qiu, Hai-Jiang; Xiao, Dong-Rong","The impact of metal ions on photoinduced electron-transfer properties: four photochromic metal‒organic frameworks based on a naphthalenediimide chromophore","CrystEngComm","2018","20","17","2430","","10.1039/C8CE00213D","","","1.54184","CuKα","","0.0825","0.0702","","","0.2199","0.2314","","","","","","1.156","","","","has coordinates,has disorder","229001","2020-10-21","18:00:00",""
"7230361","23.4194","0.0004","13.9077","0.0002","33.604","0.0006","90","","90.9341","0.0016","90","","10943.7","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C71 H40 Ba4 N9 O31 -","- C71 H40 Ba4 N9 O31 -","- C284 H160 Ba16 N36 O124 -","4","1","","Xu, Hui-Ling; Zeng, Xiao-Shan; Li, Jie; Xu, Yu-Ci; Qiu, Hai-Jiang; Xiao, Dong-Rong","The impact of metal ions on photoinduced electron-transfer properties: four photochromic metal‒organic frameworks based on a naphthalenediimide chromophore","CrystEngComm","2018","20","17","2430","","10.1039/C8CE00213D","","","1.54184","CuKα","","0.1355","0.0981","","","0.2966","0.3198","","","","","","1.171","","","","has coordinates","229001","2020-10-21","18:00:00",""
"7230362","9.8893","0.0009","16.7182","0.0004","17.3044","0.0004","63.933","0.002","78.652","0.007","86.531","0.005","2518.6","0.3","291.87","0.1","291.87","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C46 H47 Ca2 Cl N6 O16 -","- C46 H47 Ca2 Cl N6 O16 -","- C92 H94 Ca4 Cl2 N12 O32 -","2","1","","Xu, Hui-Ling; Zeng, Xiao-Shan; Li, Jie; Xu, Yu-Ci; Qiu, Hai-Jiang; Xiao, Dong-Rong","The impact of metal ions on photoinduced electron-transfer properties: four photochromic metal‒organic frameworks based on a naphthalenediimide chromophore","CrystEngComm","2018","20","17","2430","","10.1039/C8CE00213D","","x-ray","1.54184","CuKα","","0.0693","0.0617","","","0.1762","0.1837","","","","","","1.091","","","","has coordinates","229001","2020-10-21","18:00:00",""
"7230363","12.749","0.003","26.186","0.005","8.2336","0.0016","90","","106.89","0.03","90","","2630.2","1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 I6 N2 O2 Pb -","- C18 H14 I6 N2 O2 Pb -","- C72 H56 I24 N8 O8 Pb4 -","4","1","","Zhao, Li-Ming; Zhang, Wen-Ting; Song, Kai-Yue; Wu, Qi-Qi; Li, Yi; Li, Hao-Hong; Chen, Zhi-Rong","Lead-carboxylate/polyiodide hybrids constructed from halogen bonding and asymmetric viologen: structures, visible-light-driven photocatalytic properties and enhanced photocurrent responses","CrystEngComm","2018","20","16","2245","","10.1039/C8CE00120K","","","0.71073","MoKα","","0.0482","0.0359","","","0.0716","0.076","","","","","","1.063","","","","has coordinates","229021","2020-10-21","18:00:00",""
"7230364","8.3858","0.0017","15.738","0.003","18.332","0.004","112.14","0.03","98.33","0.03","96.94","0.03","2176.3","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H30 I7 N4 O5 Pb -","- C36 H30 I7 N4 O5 Pb -","- C72 H60 I14 N8 O10 Pb2 -","2","1","","Zhao, Li-Ming; Zhang, Wen-Ting; Song, Kai-Yue; Wu, Qi-Qi; Li, Yi; Li, Hao-Hong; Chen, Zhi-Rong","Lead-carboxylate/polyiodide hybrids constructed from halogen bonding and asymmetric viologen: structures, visible-light-driven photocatalytic properties and enhanced photocurrent responses","CrystEngComm","2018","20","16","2245","","10.1039/C8CE00120K","","","0.71073","MoKα","","0.0931","0.0589","","","0.1463","0.1715","","","","","","0.869","","","","has coordinates","229021","2020-10-21","18:00:00",""
"7230365","14.4059","0.0004","3.87086","0.0001","21.199","0.0005","90","","104.308","0.003","90","","1145.46","0.05","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(Z)-3-(4-bromophenyl)-2-(pyridin-2-yl)acrylonitrile","","- C14 H9 Br N2 -","- C14 H9 Br N2 -","- C56 H36 Br4 N8 -","4","1","","Venkatesan, Perumal; Cerón, Margarita; Thamotharan, Subbiah; Robles, Fernando; Percino, M. Judith","Quantitative analysis of weak non-covalent interactions in (Z)-3-(4-halophenyl)-2-(pyridin-2/3/4-yl)acrylonitriles","CrystEngComm","2018","20","19","2681","","10.1039/C7CE02096A","","","1.54178","CuKα","","0.0243","0.0217","","","0.0567","0.0586","","","","","","1.034","","","","has coordinates","229013","2020-10-21","18:00:00",""
"7230366","10.3502","0.0004","4.57161","0.00014","22.7222","0.0012","90","","100.633","0.004","90","","1056.69","0.08","110","2","110","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 N2 -","- C14 H10 N2 -","- C56 H40 N8 -","4","1","","Venkatesan, Perumal; Cerón, Margarita; Thamotharan, Subbiah; Robles, Fernando; Percino, M. Judith","Quantitative analysis of weak non-covalent interactions in (Z)-3-(4-halophenyl)-2-(pyridin-2/3/4-yl)acrylonitriles","CrystEngComm","2018","20","19","2681","","10.1039/C7CE02096A","","","0.71073","MoKα","","0.0482","0.0336","","","0.0821","0.0886","","","","","","1.041","","","","has coordinates","229013","2020-10-21","18:00:00",""
"7230367","3.76509","0.0001","47.3024","0.0012","5.91017","0.00016","90","","91.941","0.003","90","","1051.98","0.05","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H9 F N2 -","- C14 H9 F N2 -","- C56 H36 F4 N8 -","4","1","","Venkatesan, Perumal; Cerón, Margarita; Thamotharan, Subbiah; Robles, Fernando; Percino, M. Judith","Quantitative analysis of weak non-covalent interactions in (Z)-3-(4-halophenyl)-2-(pyridin-2/3/4-yl)acrylonitriles","CrystEngComm","2018","20","19","2681","","10.1039/C7CE02096A","","","1.54178","CuKα","","0.0574","0.055","","","0.1415","0.143","","","","","","1.228","","","","has coordinates","229013","2020-10-21","18:00:00",""
"7230368","3.7823","0.00011","22.3928","0.0006","12.7185","0.0004","90","","91.041","0.003","90","","1077.03","0.05","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Z)-3-(4-fluorophenyl)-2-(pyridin-2-yl)acrylonitrile","","- C14 H9 F N2 -","- C14 H9 F N2 -","- C56 H36 F4 N8 -","4","1","","Venkatesan, Perumal; Cerón, Margarita; Thamotharan, Subbiah; Robles, Fernando; Percino, M. Judith","Quantitative analysis of weak non-covalent interactions in (Z)-3-(4-halophenyl)-2-(pyridin-2/3/4-yl)acrylonitriles","CrystEngComm","2018","20","19","2681","","10.1039/C7CE02096A","","","1.54178","CuKα","","0.0374","0.0334","","","0.0865","0.0902","","","","","","1.072","","","","has coordinates","229013","2020-10-21","18:00:00",""
"7230369","11.6356","0.0005","3.82523","0.00014","25.2133","0.001","90","","91.488","0.004","90","","1121.84","0.08","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(Z)-3-(4-chlorophenyl)-2-(pyridin-2-yl)acrylonitrile","","- C14 H9 Cl N2 -","- C14 H9 Cl N2 -","- C56 H36 Cl4 N8 -","4","1","","Venkatesan, Perumal; Cerón, Margarita; Thamotharan, Subbiah; Robles, Fernando; Percino, M. Judith","Quantitative analysis of weak non-covalent interactions in (Z)-3-(4-halophenyl)-2-(pyridin-2/3/4-yl)acrylonitriles","CrystEngComm","2018","20","19","2681","","10.1039/C7CE02096A","","","0.71073","MoKα","","0.0468","0.0372","","","0.0996","0.1056","","","","","","1.03","","","","has coordinates","229013","2020-10-21","18:00:00",""
"7230370","4.77341","0.00015","15.3325","0.0005","15.7201","0.0004","90","","90","","90","","1150.53","0.06","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(Z)-3-(4-bromophenyl)-2-(pyridin-3-yl)acrylonitrile","","- C14 H9 Br N2 -","- C14 H9 Br N2 -","- C56 H36 Br4 N8 -","4","1","","Venkatesan, Perumal; Cerón, Margarita; Thamotharan, Subbiah; Robles, Fernando; Percino, M. Judith","Quantitative analysis of weak non-covalent interactions in (Z)-3-(4-halophenyl)-2-(pyridin-2/3/4-yl)acrylonitriles","CrystEngComm","2018","20","19","2681","","10.1039/C7CE02096A","","","1.54178","CuKα","","0.041","0.0365","","","0.0851","0.0863","","","","","","1.016","","","","has coordinates","229013","2020-10-21","18:00:00",""
"7230371","3.8248","0.00007","5.9631","0.0001","48.2653","0.0008","90","","90","","90","","1100.82","0.03","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H9 Cl N2 -","- C14 H9 Cl N2 -","- C56 H36 Cl4 N8 -","4","1","","Venkatesan, Perumal; Cerón, Margarita; Thamotharan, Subbiah; Robles, Fernando; Percino, M. Judith","Quantitative analysis of weak non-covalent interactions in (Z)-3-(4-halophenyl)-2-(pyridin-2/3/4-yl)acrylonitriles","CrystEngComm","2018","20","19","2681","","10.1039/C7CE02096A","","","1.54178","CuKα","","0.0547","0.0545","","","0.1262","0.1262","","","","","","1.178","","","","has coordinates","229013","2020-10-21","18:00:00",""
"7230372","7.4111","0.0002","15.5974","0.0005","10.2178","0.0003","90","","103.82","0.003","90","","1146.92","0.06","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(Z)-3-(4-bromophenyl)-2-(pyridin-4-yl)acrylonitrile","","- C14 H9 Br N2 -","- C14 H9 Br N2 -","- C56 H36 Br4 N8 -","4","1","","Venkatesan, Perumal; Cerón, Margarita; Thamotharan, Subbiah; Robles, Fernando; Percino, M. Judith","Quantitative analysis of weak non-covalent interactions in (Z)-3-(4-halophenyl)-2-(pyridin-2/3/4-yl)acrylonitriles","CrystEngComm","2018","20","19","2681","","10.1039/C7CE02096A","","","1.54178","CuKα","","0.0334","0.0257","","","0.061","0.0665","","","","","","1.034","","","","has coordinates","229013","2020-10-21","18:00:00",""
"7230373","4.67306","0.00008","15.4504","0.0003","15.4973","0.0003","90","","90","","90","","1118.92","0.04","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H9 Cl N2 -","- C14 H9 Cl N2 -","- C56 H36 Cl4 N8 -","4","1","","Venkatesan, Perumal; Cerón, Margarita; Thamotharan, Subbiah; Robles, Fernando; Percino, M. Judith","Quantitative analysis of weak non-covalent interactions in (Z)-3-(4-halophenyl)-2-(pyridin-2/3/4-yl)acrylonitriles","CrystEngComm","2018","20","19","2681","","10.1039/C7CE02096A","","","0.71073","MoKα","","0.0292","0.0267","","","0.0683","0.0695","","","","","","1.071","","","","has coordinates","229013","2020-10-21","18:00:00",""
"7230374","6.4852","0.0002","14.3549","0.0004","15.7193","0.0011","90","","90","","90","","1463.38","0.12","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H11 Cl Cu N2 O7 -","- C14 H11 Cl Cu N2 O7 -","- C56 H44 Cl4 Cu4 N8 O28 -","4","1","","Carballo, Rosa; Castiñeiras, Alfonso; Covelo, Berta; Lago, Ana B.; Vázquez-López, Ezequiel M.; Gómez-Paz, Olaya; Balboa, Susana; Prieto, Inmaculada","Chiral and achiral 1D copper(ii) coordination polymers based on glycolato and chelating aromatic diamine ligands","CrystEngComm","2018","20","17","2455","","10.1039/C8CE00279G","","","1.54184","CuKα","","0.0556","0.0532","","","0.1471","0.1493","","","","","","1.128","","","","has coordinates","228999","2020-10-21","18:00:00",""
"7230375","10.3927","0.0017","7.2489","0.0012","11.146","0.0018","90","","116.46","0.002","90","","751.7","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H15 Cu N3 O6 -","- C14 H15 Cu N3 O6 -","- C28 H30 Cu2 N6 O12 -","2","1","","Carballo, Rosa; Castiñeiras, Alfonso; Covelo, Berta; Lago, Ana B.; Vázquez-López, Ezequiel M.; Gómez-Paz, Olaya; Balboa, Susana; Prieto, Inmaculada","Chiral and achiral 1D copper(ii) coordination polymers based on glycolato and chelating aromatic diamine ligands","CrystEngComm","2018","20","17","2455","","10.1039/C8CE00279G","","","0.71073","MoKα","","0.0345","0.0291","","","0.0633","0.0649","","","","","","1.006","","","","has coordinates","228999","2020-10-21","18:00:00",""
"7230376","7.0214","0.0012","18.01","0.003","19.735","0.003","90","","90","","90","","2495.6","0.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H13 Cu N3 O4 -","- C12 H13 Cu N3 O4 -","- C96 H104 Cu8 N24 O32 -","8","1","","Carballo, Rosa; Castiñeiras, Alfonso; Covelo, Berta; Lago, Ana B.; Vázquez-López, Ezequiel M.; Gómez-Paz, Olaya; Balboa, Susana; Prieto, Inmaculada","Chiral and achiral 1D copper(ii) coordination polymers based on glycolato and chelating aromatic diamine ligands","CrystEngComm","2018","20","17","2455","","10.1039/C8CE00279G","","","0.71073","MoKα","","0.0605","0.0445","","","0.0892","0.0943","","","","","","1.157","","","","has coordinates","228999","2020-10-21","18:00:00",""
"7230377","6.5406","0.0013","14.063","0.003","15.063","0.003","90","","90","","90","","1385.5","0.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 Cl Cu N2 O7 -","- C12 H11 Cl Cu N2 O7 -","- C48 H44 Cl4 Cu4 N8 O28 -","4","1","","Carballo, Rosa; Castiñeiras, Alfonso; Covelo, Berta; Lago, Ana B.; Vázquez-López, Ezequiel M.; Gómez-Paz, Olaya; Balboa, Susana; Prieto, Inmaculada","Chiral and achiral 1D copper(ii) coordination polymers based on glycolato and chelating aromatic diamine ligands","CrystEngComm","2018","20","17","2455","","10.1039/C8CE00279G","","","0.71073","MoKα","","0.024","0.0213","","","0.0547","0.0561","","","","","","1.083","","","","has coordinates","228999","2020-10-21","18:00:00",""
"7230378","10.2071","0.0006","9.4026","0.0005","16.5141","0.0009","90","","91.226","0.002","90","","1584.55","0.15","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 Cl Cu N3 O8 -","- C12 H14 Cl Cu N3 O8 -","- C48 H56 Cl4 Cu4 N12 O32 -","4","1","","Carballo, Rosa; Castiñeiras, Alfonso; Covelo, Berta; Lago, Ana B.; Vázquez-López, Ezequiel M.; Gómez-Paz, Olaya; Balboa, Susana; Prieto, Inmaculada","Chiral and achiral 1D copper(ii) coordination polymers based on glycolato and chelating aromatic diamine ligands","CrystEngComm","2018","20","17","2455","","10.1039/C8CE00279G","","","0.71073","","","0.0272","0.0236","","","0.06","0.0616","","","","","","1.075","","","","has coordinates","228999","2020-10-21","18:00:00",""
"7230379","13.128","0.0009","8.7729","0.0006","25.0767","0.0016","90","","90.356","0.002","90","","2888","0.3","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 Cl2 Cu2 N6 O14 -","- C22 H26 Cl2 Cu2 N6 O14 -","- C88 H104 Cl8 Cu8 N24 O56 -","4","1","","Carballo, Rosa; Castiñeiras, Alfonso; Covelo, Berta; Lago, Ana B.; Vázquez-López, Ezequiel M.; Gómez-Paz, Olaya; Balboa, Susana; Prieto, Inmaculada","Chiral and achiral 1D copper(ii) coordination polymers based on glycolato and chelating aromatic diamine ligands","CrystEngComm","2018","20","17","2455","","10.1039/C8CE00279G","","","0.71073","MoKα","","0.0581","0.0379","","","0.0757","0.0819","","","","","","1.038","","","","has coordinates,has disorder","228999","2020-10-21","18:00:00",""
"7230393","8.7593","0.0018","13.386","0.004","19.541","0.004","90","","90","","90","","2291.2","1","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","zhu00010","","- C28 H22 F N3 -","- C28 H22 F N3 -","- C112 H88 F4 N12 -","4","1","","Zhu, Huichao; Weng, Shiyin; Zhang, Hong; Yu, Haizhu; Kong, Lin; Zhong, Yulin; Tian, Yupeng; Yang, Jiaxiang","A novel carbazole derivative containing fluorobenzene unit: aggregation-induced fluorescence emission, polymorphism, mechanochromism and non-reversible thermo-stimulus fluorescence","CrystEngComm","2018","20","20","2772","","10.1039/C8CE00025E","","","0.71073","MoKα","","0.0458","0.0395","","","0.1048","0.1106","","","","","","1.049","","","","has coordinates","229041","2020-10-21","18:00:00",""
"7230394","12.758","0.005","14.223","0.005","12.808","0.005","90","","93.522","0.004","90","","2319.7","1.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3O","","- C28 H22 F N3 -","- C28 H22 F N3 -","- C112 H88 F4 N12 -","4","1","","Zhu, Huichao; Weng, Shiyin; Zhang, Hong; Yu, Haizhu; Kong, Lin; Zhong, Yulin; Tian, Yupeng; Yang, Jiaxiang","A novel carbazole derivative containing fluorobenzene unit: aggregation-induced fluorescence emission, polymorphism, mechanochromism and non-reversible thermo-stimulus fluorescence","CrystEngComm","2018","20","20","2772","","10.1039/C8CE00025E","","","0.71073","MoKα","","0.1019","0.0879","","","0.27","0.2873","","","","","","1.064","","","","has coordinates","229041","2020-10-21","18:00:00",""
"7230395","20.3393","0.0003","20.3393","0.0003","23.9935","0.0004","90","","90","","120","","8596","0.2","293","2","293","2","","","","","","","","6","R -3","-R 3","148","","","","- C27 H39 Mo12 O40 P S3 -","- C27 H39 Mo12 O40 P S3 -","- C162 H234 Mo72 O240 P6 S18 -","6","","","Kumar, Ashwani; Pradeep, Chullikkattil P.","Aromatic sulfonium polyoxomolybdates: tuning the photochromic properties through substitutions on the counter ion moiety","CrystEngComm","2018","","","","","10.1039/C8CE00345A","","x-ray","0.71073","MoKα","","0.0741","0.0682","","","0.1423","0.1462","","","","","","1.11","","","","has coordinates","207201","2020-10-21","18:00:00",""
"7230396","20.1657","0.0006","20.1657","0.0006","24.1757","0.0008","90","","90","","120","","8514.1","0.5","150","0.1","150","0.1","","","","","","","","6","R -3","-R 3","148","","","","- C27 H39 Mo12 O43 P S3 -","- C27 H39 Mo12 O43 P S3 -","- C162 H234 Mo72 O258 P6 S18 -","6","","","Kumar, Ashwani; Pradeep, Chullikkattil P.","Aromatic sulfonium polyoxomolybdates: tuning the photochromic properties through substitutions on the counter ion moiety","CrystEngComm","2018","","","","","10.1039/C8CE00345A","","x-ray","0.71073","MoKα","","0.0894","0.086","","","0.178","0.1797","","","","","","1.159","","","","has coordinates","207201","2020-10-21","18:00:00",""
"7230397","12.4149","0.0007","12.6395","0.0006","23.2868","0.0009","95.806","0.004","95.886","0.004","115.353","0.005","3241.7","0.3","149.99","0.1","149.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C36 H57 Mo12 O43 P S3 -","- C36 H57 Mo12 O43 P S3 -","- C72 H114 Mo24 O86 P2 S6 -","2","1","","Kumar, Ashwani; Pradeep, Chullikkattil P.","Aromatic sulfonium polyoxomolybdates: tuning the photochromic properties through substitutions on the counter ion moiety","CrystEngComm","2018","","","","","10.1039/C8CE00345A","","x-ray","1.54184","CuKα","","0.05","0.042","","","0.1072","0.1141","","","","","","1.05","","","","has coordinates","207201","2020-10-21","18:00:00",""
"7230398","8.674","0.0004","9.2402","0.0004","9.7072","0.0004","94.987","0.002","109.996","0.002","90.045","0.002","727.97","0.06","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C12 H14 N2 O8 S2 -","- C12 H14 N2 O8 S2 -","- C24 H28 N4 O16 S4 -","2","1","","Singh, Ashutosh S.; Ali, Amjad; Tiwari, Ranjay K.; Behera, Jogendra N.; Sun, Shih-Sheng; Chandrasekhar, Vadapalli","Thermally induced 1D to 2D polymer conversion accompanied by major packing changes in single-crystal-to-single-crystal transformation","CrystEngComm","2018","20","17","2346","","10.1039/C8CE00089A","","","0.71073","MoKα","","0.043","0.0353","","","0.0925","0.0986","","","","","","1.042","","","","has coordinates","229000","2020-10-21","18:00:00",""
"7230399","8.6748","0.0004","9.2418","0.0004","9.7123","0.0005","95.073","0.002","110.088","0.002","90.128","0.002","727.97","0.06","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C12 H14 N2 O8 S2 -","- C12 H14 N2 O8 S2 -","- C24 H28 N4 O16 S4 -","2","1","","Singh, Ashutosh S.; Ali, Amjad; Tiwari, Ranjay K.; Behera, Jogendra N.; Sun, Shih-Sheng; Chandrasekhar, Vadapalli","Thermally induced 1D to 2D polymer conversion accompanied by major packing changes in single-crystal-to-single-crystal transformation","CrystEngComm","2018","20","17","2346","","10.1039/C8CE00089A","","","0.71073","MoKα","","0.0361","0.0303","","","0.0799","0.0843","","","","","","1.03","","","","has coordinates","229000","2020-10-21","18:00:00",""
"7230400","9.866","0.0003","11.0557","0.0003","16.886","0.0005","80.416","0.002","88.478","0.003","86.132","0.002","1811.79","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H74 N10 O36 S8 -","- C60 H74 N10 O36 S8 -","- C60 H74 N10 O36 S8 -","1","0.5","","Singh, Ashutosh S.; Ali, Amjad; Tiwari, Ranjay K.; Behera, Jogendra N.; Sun, Shih-Sheng; Chandrasekhar, Vadapalli","Thermally induced 1D to 2D polymer conversion accompanied by major packing changes in single-crystal-to-single-crystal transformation","CrystEngComm","2018","20","17","2346","","10.1039/C8CE00089A","","x-ray","0.71073","MoKα","","0.0633","0.0395","","","0.0856","0.0961","","","","","","1.037","","","","has coordinates,has disorder","229000","2020-10-21","18:00:00",""
"7230401","9.8533","0.0005","11.0612","0.0006","16.9145","0.0009","80.528","0.002","88.607","0.003","86.101","0.002","1814","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H74 N10 O36 S8 -","- C60 H74 N10 O36 S8 -","- C60 H74 N10 O36 S8 -","1","0.5","","Singh, Ashutosh S.; Ali, Amjad; Tiwari, Ranjay K.; Behera, Jogendra N.; Sun, Shih-Sheng; Chandrasekhar, Vadapalli","Thermally induced 1D to 2D polymer conversion accompanied by major packing changes in single-crystal-to-single-crystal transformation","CrystEngComm","2018","20","17","2346","","10.1039/C8CE00089A","","x-ray","0.71073","MoKα","","0.0598","0.0413","","","0.1012","0.1107","","","","","","1.013","","","","has coordinates,has disorder","229000","2020-10-21","18:00:00",""
"7230402","9.8602","0.0005","11.0507","0.0006","16.8724","0.0009","80.39","0.002","88.453","0.004","86.193","0.002","1808.42","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H74 N10 O36 S8 -","- C60 H74 N10 O36 S8 -","- C60 H74 N10 O36 S8 -","1","0.5","","Singh, Ashutosh S.; Ali, Amjad; Tiwari, Ranjay K.; Behera, Jogendra N.; Sun, Shih-Sheng; Chandrasekhar, Vadapalli","Thermally induced 1D to 2D polymer conversion accompanied by major packing changes in single-crystal-to-single-crystal transformation","CrystEngComm","2018","20","17","2346","","10.1039/C8CE00089A","","","0.71073","MoKα","","0.0786","0.0475","","","0.1166","0.1316","","","","","","1.031","","","","has coordinates,has disorder","229000","2020-10-21","18:00:00",""
"7230403","8.667","0.0002","9.2424","0.0003","9.701","0.0003","95.062","0.002","110.09","0.002","90.142","0.002","726.51","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H14 N2 O8 S2 -","- C12 H14 N2 O8 S2 -","- C24 H28 N4 O16 S4 -","2","1","","Singh, Ashutosh S.; Ali, Amjad; Tiwari, Ranjay K.; Behera, Jogendra N.; Sun, Shih-Sheng; Chandrasekhar, Vadapalli","Thermally induced 1D to 2D polymer conversion accompanied by major packing changes in single-crystal-to-single-crystal transformation","CrystEngComm","2018","20","17","2346","","10.1039/C8CE00089A","","","0.71073","MoKα","","0.0284","0.0252","","","0.0668","0.0698","","","","","","1.021","","","","has coordinates","229000","2020-10-21","18:00:00",""
"7230412","14.96","0.002","17.1","0.003","17.112","0.003","90","","110.277","0.009","90","","4106.2","1.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H48 B Fe N4 O2 -","- C52 H48 B Fe N4 O2 -","- C208 H192 B4 Fe4 N16 O8 -","4","1","","Vieira, Bruno J. C.; da Gama, Vasco; Santos, Isabel C.; Pereira, Laura C. J.; Bandeira, Nuno A. G.; Waerenborgh, João C.","Magnetic and structural correlations in [Fe(nsal2trien)] salts: the role of cation‒anion interactions in the spin crossover phenomenon","CrystEngComm","2018","20","17","2465","","10.1039/C8CE00275D","","","0.71073","MoKα","","0.0767","0.043","","","0.0892","0.0965","","","","","","1.025","","","","has coordinates","228998","2020-10-21","18:00:00",""
"7230413","8.6116","0.0003","15.4474","0.0004","20.476","0.0006","90","","96.769","0.002","90","","2704.87","0.14","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H36 Cl Fe N4 O4 -","- C30 H36 Cl Fe N4 O4 -","- C120 H144 Cl4 Fe4 N16 O16 -","4","1","","Vieira, Bruno J. C.; da Gama, Vasco; Santos, Isabel C.; Pereira, Laura C. J.; Bandeira, Nuno A. G.; Waerenborgh, João C.","Magnetic and structural correlations in [Fe(nsal2trien)] salts: the role of cation‒anion interactions in the spin crossover phenomenon","CrystEngComm","2018","20","17","2465","","10.1039/C8CE00275D","","","0.71073","MoKα","","0.0566","0.0422","","","0.1172","0.1245","","","","","","1.066","","","","has coordinates","228998","2020-10-21","18:00:00",""
"7230414","16.4142","0.0003","15.1139","0.0004","20.9988","0.0006","90","","90","","90","","5209.4","0.2","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C28 H28 B F4 Fe N4 O2 -","- C28 H28 B F4 Fe N4 O2 -","- C224 H224 B8 F32 Fe8 N32 O16 -","8","1","","Vieira, Bruno J. C.; da Gama, Vasco; Santos, Isabel C.; Pereira, Laura C. J.; Bandeira, Nuno A. G.; Waerenborgh, João C.","Magnetic and structural correlations in [Fe(nsal2trien)] salts: the role of cation‒anion interactions in the spin crossover phenomenon","CrystEngComm","2018","20","17","2465","","10.1039/C8CE00275D","","","0.71073","MoKα","","0.0556","0.0331","","","0.0762","0.0834","","","","","","1.043","","","","has coordinates","228998","2020-10-21","18:00:00",""
"7230415","16.7007","0.0007","15.1105","0.0008","20.7773","0.0011","90","0.005","90","0.005","90","0.005","5243.3","0.4","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H28 Cl Fe N4 O6 -","- C28 H28 Cl Fe N4 O6 -","- C224 H224 Cl8 Fe8 N32 O48 -","8","1","","Vieira, Bruno J. C.; da Gama, Vasco; Santos, Isabel C.; Pereira, Laura C. J.; Bandeira, Nuno A. G.; Waerenborgh, João C.","Magnetic and structural correlations in [Fe(nsal2trien)] salts: the role of cation‒anion interactions in the spin crossover phenomenon","CrystEngComm","2018","20","17","2465","","10.1039/C8CE00275D","","","0.71069","MoKα","","0.1147","0.0527","","","0.1055","0.1219","","","","","","0.93","","","","has coordinates","228998","2020-10-21","18:00:00",""
"7230416","9.0754","0.0018","10.218","0.002","20.432","0.004","76.34","0.03","80.19","0.03","68.14","0.03","1701.6","0.7","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H50 F24 Mn2 N6 O14 -","- C58 H50 F24 Mn2 N6 O14 -","- C58 H50 F24 Mn2 N6 O14 -","1","0.5","","Zhu, Mei; Lou, Dingshuo; Deng, Xiaochun; Zhang, Li; Zhang, Wei; Lü, Yaohong","A functional nitroxide ligand builds up two 2p‒3d complexes with different spin ground states and a 2p‒3d‒4f chain of rings","CrystEngComm","2018","20","18","2583","","10.1039/C8CE00178B","","","0.71073","MoKα","","0.1569","0.087","","","0.1766","0.2053","","","","","","1.015","","","","has coordinates","229099","2020-10-21","18:00:00",""
"7230417","19.703","0.004","16.999","0.003","27.263","0.005","90","","92.9","0.03","90","","9120","3","113","2","113","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C73 H51 Cu2 F42 N6 O20 Y -","- C73 H51 Cu2 F42 N6 O20 Y -","- C292 H204 Cu8 F168 N24 O80 Y4 -","4","0.5","","Zhu, Mei; Lou, Dingshuo; Deng, Xiaochun; Zhang, Li; Zhang, Wei; Lü, Yaohong","A functional nitroxide ligand builds up two 2p‒3d complexes with different spin ground states and a 2p‒3d‒4f chain of rings","CrystEngComm","2018","20","18","2583","","10.1039/C8CE00178B","","","0.71073","MoKα","","0.1089","0.0898","","","0.2156","0.2304","","","","","","1.056","","","","has coordinates","229099","2020-10-21","18:00:00",""
"7230418","10.94","0.002","12.365","0.003","18.073","0.004","86.35","0.03","78.63","0.03","83.48","0.03","2379.2","0.9","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H26 Cu2 F24 N3 O11 -","- C39 H26 Cu2 F24 N3 O11 -","- C78 H52 Cu4 F48 N6 O22 -","2","1","","Zhu, Mei; Lou, Dingshuo; Deng, Xiaochun; Zhang, Li; Zhang, Wei; Lü, Yaohong","A functional nitroxide ligand builds up two 2p‒3d complexes with different spin ground states and a 2p‒3d‒4f chain of rings","CrystEngComm","2018","20","18","2583","","10.1039/C8CE00178B","","","0.71073","MoKα","","0.0666","0.0553","","","0.1542","0.164","","","","","","1.036","","","","has coordinates","229099","2020-10-21","18:00:00",""
"7230419","12.0704","0.0003","8.5358","0.0001","17.9826","0.0003","90","","106.041","0.001","90","","1780.62","0.06","273","2","273.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H58 Br2 N2 -","- C34 H58 Br2 N2 -","- C68 H116 Br4 N4 -","2","0.5","","Kai, Aiting; Sheng, Yujie; Yao, Junyao; Chen, Qibin; Liu, Honglai","Structural variation determined by length-matching effects: towards the formation of flexible porous molecular crystals","CrystEngComm","2018","20","19","2648","","10.1039/C7CE02245J","","","1.54178","CuKα","","0.0753","0.0667","","","0.2042","0.2152","","","","","","1.09","","","","has coordinates","229018","2020-10-21","18:00:00",""
"7230420","27.3945","0.0004","15.206","0.0002","11.1953","0.0002","90","","90","","90","","4663.52","0.12","130","2","130","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C40 H68 Br2 Cl6 N2 -","- C40 H68 Br2 Cl6 N2 -","- C160 H272 Br8 Cl24 N8 -","4","0.5","","Kai, Aiting; Sheng, Yujie; Yao, Junyao; Chen, Qibin; Liu, Honglai","Structural variation determined by length-matching effects: towards the formation of flexible porous molecular crystals","CrystEngComm","2018","20","19","2648","","10.1039/C7CE02245J","","","1.54178","CuKα","","0.0436","0.0391","","","0.0937","0.0967","","","","","","1.047","","","","has coordinates","229018","2020-10-21","18:00:00",""
"7230421","57.9542","0.0014","8.3909","0.0002","10.5626","0.0003","90","","90","","90","","5136.5","0.2","200","2","200","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C25 H41 N O4 S -","- C25 H41 N O4 S -","- C200 H328 N8 O32 S8 -","8","1","","Wang, Ren-Tzong; Lee, Gene-Hsiang; Lai, Chung K.","Effect of counter ions on the mesogenic ionic N-phenylpyridiniums","CrystEngComm","2018","20","18","2593","","10.1039/C8CE00286J","","","1.54178","CuKα","","0.0305","0.0291","","","0.0839","0.0856","","","","","","1.056","","","","has coordinates","229100","2020-10-21","18:00:00",""
"7230422","8.4477","0.0003","10.137","0.0003","29.0003","0.0008","97.1637","0.001","91.7536","0.0012","94.3756","0.0011","2454.83","0.13","250","2","250","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H34 F6 N O P -","- C23 H34 F6 N O P -","- C92 H136 F24 N4 O4 P4 -","4","2","","Wang, Ren-Tzong; Lee, Gene-Hsiang; Lai, Chung K.","Effect of counter ions on the mesogenic ionic N-phenylpyridiniums","CrystEngComm","2018","20","18","2593","","10.1039/C8CE00286J","","","1.54178","CuKα","","0.0733","0.0508","","","0.1347","0.1529","","","","","","1.05","","","","has coordinates","229100","2020-10-21","18:00:00",""
"7230423","10.5341","0.0002","20.31","0.0005","38.1037","0.0009","80.3923","0.001","83.5583","0.001","76.8971","0.001","7805.1","0.3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H38 F6 N2 O5 S2 -","- C27 H38 F6 N2 O5 S2 -","- C270 H380 F60 N20 O50 S20 -","10","5","","Wang, Ren-Tzong; Lee, Gene-Hsiang; Lai, Chung K.","Effect of counter ions on the mesogenic ionic N-phenylpyridiniums","CrystEngComm","2018","20","18","2593","","10.1039/C8CE00286J","","","1.54178","CuKα","","0.0948","0.0767","","","0.2098","0.2363","","","","","","1.062","","","","has coordinates,has disorder","229100","2020-10-21","18:00:00",""
"7230424","8.3825","0.0004","14.3515","0.0008","13.3425","0.0007","90","","96.835","0.005","90","","1593.71","0.14","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 Cl N O -","- C19 H20 Cl N O -","- C76 H80 Cl4 N4 O4 -","4","1","","Seiler, Vanessa Kristina; Callebaut, Kevin; Robeyns, Koen; Tumanov, Nikolay; Wouters, Johan; Champagne, Benoît; Leyssens, Tom","Acidochromic spiropyran‒merocyanine stabilisation in the solid state","CrystEngComm","2018","20","24","3318","","10.1039/C8CE00291F","","","0.71073","MoKα","","0.0564","0.0424","","","0.0972","0.1038","","","","","","1.047","","","","has coordinates","228892","2020-10-21","18:00:00",""
"7230425","14.912","0.0004","6.9922","0.0002","37.2099","0.0013","90","","90","","90","","3879.8","0.2","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H22 N2 O4 -","- C23 H22 N2 O4 -","- C184 H176 N16 O32 -","8","1","","Seiler, Vanessa Kristina; Callebaut, Kevin; Robeyns, Koen; Tumanov, Nikolay; Wouters, Johan; Champagne, Benoît; Leyssens, Tom","Acidochromic spiropyran‒merocyanine stabilisation in the solid state","CrystEngComm","2018","20","24","3318","","10.1039/C8CE00291F","","","0.71073","MoKα","","0.0657","0.0475","","","0.108","0.1163","","","","","","1.029","","","","has coordinates","228892","2020-10-21","18:00:00",""
"7230426","8.308","0.0004","13.9039","0.0008","13.658","0.0006","90","","96.642","0.004","90","","1567.1","0.14","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 Br N O -","- C19 H20 Br N O -","- C76 H80 Br4 N4 O4 -","4","1","","Seiler, Vanessa Kristina; Callebaut, Kevin; Robeyns, Koen; Tumanov, Nikolay; Wouters, Johan; Champagne, Benoît; Leyssens, Tom","Acidochromic spiropyran‒merocyanine stabilisation in the solid state","CrystEngComm","2018","20","24","3318","","10.1039/C8CE00291F","","","0.7149","synchrotron","","0.0721","0.0531","","","0.13","0.1393","","","","","","1.042","","","","has coordinates","228892","2020-10-21","18:00:00",""
"7230427","10.4953","0.0009","19.9612","0.0019","8.1903","0.0007","90","","90","","90","","1715.9","0.3","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H20 N2 O4 -","- C19 H20 N2 O4 -","- C76 H80 N8 O16 -","4","1","","Seiler, Vanessa Kristina; Callebaut, Kevin; Robeyns, Koen; Tumanov, Nikolay; Wouters, Johan; Champagne, Benoît; Leyssens, Tom","Acidochromic spiropyran‒merocyanine stabilisation in the solid state","CrystEngComm","2018","20","24","3318","","10.1039/C8CE00291F","","","0.71073","MoKα","","0.1027","0.0564","","","0.0973","0.1144","","","","","","1.036","","","","has coordinates,has disorder","228892","2020-10-21","18:00:00",""
"7230428","11.5183","0.0003","24.435","0.0007","7.1002","0.0002","90","","98.786","0.003","90","","1974.9","0.1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 Cl N O4 -","- C20 H26 Cl N O4 -","- C80 H104 Cl4 N4 O16 -","4","1","","Seiler, Vanessa Kristina; Callebaut, Kevin; Robeyns, Koen; Tumanov, Nikolay; Wouters, Johan; Champagne, Benoît; Leyssens, Tom","Acidochromic spiropyran‒merocyanine stabilisation in the solid state","CrystEngComm","2018","20","24","3318","","10.1039/C8CE00291F","","","0.71073","MoKα","","0.0578","0.048","","","0.1197","0.1257","","","","","","1.034","","","","has coordinates","228892","2020-10-21","18:00:00",""
"7230429","10.9418","0.0007","22.2438","0.0013","8.074","0.0006","90","","99.632","0.007","90","","1937.4","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 N2 O6 -","- C20 H24 N2 O6 -","- C80 H96 N8 O24 -","4","1","","Seiler, Vanessa Kristina; Callebaut, Kevin; Robeyns, Koen; Tumanov, Nikolay; Wouters, Johan; Champagne, Benoît; Leyssens, Tom","Acidochromic spiropyran‒merocyanine stabilisation in the solid state","CrystEngComm","2018","20","24","3318","","10.1039/C8CE00291F","","","0.71073","MoKα","","0.0898","0.0539","","","0.096","0.1074","","","","","","1.06","","","","has coordinates","228892","2020-10-21","18:00:00",""
"7230430","17.696","0.0006","15.103","0.0004","6.9665","0.0003","90","","92.41","0.004","90","","1860.24","0.11","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 Cl N O -","- C23 H22 Cl N O -","- C92 H88 Cl4 N4 O4 -","4","1","","Seiler, Vanessa Kristina; Callebaut, Kevin; Robeyns, Koen; Tumanov, Nikolay; Wouters, Johan; Champagne, Benoît; Leyssens, Tom","Acidochromic spiropyran‒merocyanine stabilisation in the solid state","CrystEngComm","2018","20","24","3318","","10.1039/C8CE00291F","","","0.71073","MoKα","","0.0588","0.0409","","","0.0997","0.1049","","","","","","1.011","","","","has coordinates","228892","2020-10-21","18:00:00",""
"7230431","11.768","0.003","25.295","0.005","7.006","0.002","90","","104.7","0.03","90","","2017.2","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-[(E)-2-(2-hydroxy-5-nitrophenyl)ethenyl]-1,3,3-trimethyl-3H-indol-1-ium hydrogen sulfate","2-[(E)-2-(2-hydroxy-5-nitrophenyl)ethenyl]-1,3,3-trimethyl-3H-indol-1-ium hydrogen sulfate","","- C19 H20 N2 O7 S -","- C19 H19.999 N2 O6.996 S0.999 -","- C76 H79.996 N8 O27.984 S3.996 -","4","1","","Seiler, Vanessa Kristina; Callebaut, Kevin; Robeyns, Koen; Tumanov, Nikolay; Wouters, Johan; Champagne, Benoît; Leyssens, Tom","Acidochromic spiropyran‒merocyanine stabilisation in the solid state","CrystEngComm","2018","20","24","3318","","10.1039/C8CE00291F","","","1.54184","CuKα","","0.1193","0.0611","","","0.1371","0.15","","","","","","1.027","","","","has coordinates,has disorder","228892","2020-10-21","18:00:00",""
"7230432","18.8741","0.0012","6.2632","0.0003","14.2571","0.0007","90","","98.548","0.006","90","","1666.64","0.16","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N3 O5 -","- C19 H17 N3 O5 -","- C76 H68 N12 O20 -","4","1","","Seiler, Vanessa Kristina; Callebaut, Kevin; Robeyns, Koen; Tumanov, Nikolay; Wouters, Johan; Champagne, Benoît; Leyssens, Tom","Acidochromic spiropyran‒merocyanine stabilisation in the solid state","CrystEngComm","2018","20","24","3318","","10.1039/C8CE00291F","","","0.71073","MoKα","","0.0782","0.0713","","","0.1728","0.1773","","","","","","1.063","","","","has coordinates","228892","2020-10-21","18:00:00",""
"7230433","12.0289","0.0005","12.4435","0.0005","17.4047","0.0007","76.128","0.004","81.814","0.004","79.953","0.004","2476.58","0.18","295","2","295","2","","","","","","","","5","P -1","-P 1","2","tetrakis(2-[(E)-2-(2-hydroxy-3-methoxyphenyl)ethenyl]-1,3,3-trimethyl-3H-indol-1-ium) tris(phosphoric acid) nonahydrate tetradihydrogen phosphate","tetrakis(2-[(E)-2-(2-hydroxy-3-methoxyphenyl)ethenyl]-1,3,3-trimethyl-3H-indol-1-ium) tris(phosphoric acid) nonahydrate tetradihydrogen phosphate","","- C40 H60.5 N2 O22.5 P3.5 -","- C40 H56.5 N2 O22.501 P3.5 -","- C80 H113 N4 O45.002 P7 -","2","1","","Seiler, Vanessa Kristina; Callebaut, Kevin; Robeyns, Koen; Tumanov, Nikolay; Wouters, Johan; Champagne, Benoît; Leyssens, Tom","Acidochromic spiropyran‒merocyanine stabilisation in the solid state","CrystEngComm","2018","20","24","3318","","10.1039/C8CE00291F","","","1.54184","CuKα","","0.0726","0.0536","","","0.1423","0.1599","","","","","","1.012","","","","has coordinates,has disorder","228892","2020-10-21","18:00:00",""
"7230434","11.5976","0.0003","23.9015","0.0006","7.36093","0.00015","90","","98.766","0.002","90","","2016.62","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-[(E)-2-(2-hydroxy-3-methoxyphenyl)ethenyl]-1,3,3-trimethyl-3H-indol-1-ium dihydrate bromide","2-[(E)-2-(2-hydroxy-3-methoxyphenyl)ethenyl]-1,3,3-trimethyl-3H-indol-1-ium dihydrate bromide","","- C20 H26 Br N O4 -","- C20 H26 Br N O4 -","- C80 H104 Br4 N4 O16 -","4","1","","Seiler, Vanessa Kristina; Callebaut, Kevin; Robeyns, Koen; Tumanov, Nikolay; Wouters, Johan; Champagne, Benoît; Leyssens, Tom","Acidochromic spiropyran‒merocyanine stabilisation in the solid state","CrystEngComm","2018","20","24","3318","","10.1039/C8CE00291F","","","1.54184","CuKα","","0.0395","0.0345","","","0.0873","0.092","","","","","","1.048","","","","has coordinates","228892","2020-10-21","18:00:00",""
"7230435","12.8779","0.0005","10.4911","0.0005","12.8498","0.0007","90","","94.836","0.004","90","","1729.87","0.14","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 Br N O1.5 -","- C19 H20.998 Br N O1.499 -","- C76 H83.992 Br4 N4 O5.996 -","4","1","","Seiler, Vanessa Kristina; Callebaut, Kevin; Robeyns, Koen; Tumanov, Nikolay; Wouters, Johan; Champagne, Benoît; Leyssens, Tom","Acidochromic spiropyran‒merocyanine stabilisation in the solid state","CrystEngComm","2018","20","24","3318","","10.1039/C8CE00291F","","","0.71073","MoKα","","0.0626","0.0459","","","0.1022","0.1086","","","","","","1.049","","","","has coordinates","228892","2020-10-21","18:00:00",""
"7230436","7.227","0.003","10.0542","0.001","12.687","0.003","80.825","0.014","89","0.02","88.089","0.018","909.5","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H19 N3 O6 -","- C19 H19 N3 O6 -","- C38 H38 N6 O12 -","2","1","","Seiler, Vanessa Kristina; Callebaut, Kevin; Robeyns, Koen; Tumanov, Nikolay; Wouters, Johan; Champagne, Benoît; Leyssens, Tom","Acidochromic spiropyran‒merocyanine stabilisation in the solid state","CrystEngComm","2018","20","24","3318","","10.1039/C8CE00291F","","","0.71073","MoKα","","0.125","0.0646","","","0.1281","0.137","","","","","","1.046","","","","has coordinates","228892","2020-10-21","18:00:00",""
"7230437","7.8327","0.0005","16.019","0.0013","15.1017","0.0019","90","","90","","90","","1894.8","0.3","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C20 H23 N O6 S -","- C20 H23 N O6 S -","- C80 H92 N4 O24 S4 -","4","1","","Seiler, Vanessa Kristina; Callebaut, Kevin; Robeyns, Koen; Tumanov, Nikolay; Wouters, Johan; Champagne, Benoît; Leyssens, Tom","Acidochromic spiropyran‒merocyanine stabilisation in the solid state","CrystEngComm","2018","20","24","3318","","10.1039/C8CE00291F","","","0.71073","MoKα","","0.0315","0.0302","","","0.0774","0.078","","","","","","1.014","","","","has coordinates","228892","2020-10-21","18:00:00",""
"7230438","17.8583","0.0018","15.1686","0.001","6.9757","0.0003","90","","93.704","0.007","90","","1885.7","0.2","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 Br N O -","- C23 H22 Br N O -","- C92 H88 Br4 N4 O4 -","4","1","","Seiler, Vanessa Kristina; Callebaut, Kevin; Robeyns, Koen; Tumanov, Nikolay; Wouters, Johan; Champagne, Benoît; Leyssens, Tom","Acidochromic spiropyran‒merocyanine stabilisation in the solid state","CrystEngComm","2018","20","24","3318","","10.1039/C8CE00291F","","","0.71073","MoKα","","0.0873","0.0697","","","0.1803","0.1897","","","","","","1.055","","","","has coordinates","228892","2020-10-21","18:00:00",""
"7230439","12.6562","0.0003","13.9654","0.0007","28.3803","0.0012","83.572","0.004","79.127","0.003","78.777","0.003","4817.2","0.3","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H104 N12 O37 P6 -","- C84 H104 N12 O37 P6 -","- C168 H208 N24 O74 P12 -","2","1","","Seiler, Vanessa Kristina; Callebaut, Kevin; Robeyns, Koen; Tumanov, Nikolay; Wouters, Johan; Champagne, Benoît; Leyssens, Tom","Acidochromic spiropyran‒merocyanine stabilisation in the solid state","CrystEngComm","2018","20","24","3318","","10.1039/C8CE00291F","","","0.71073","MoKα","","0.0726","0.0471","","","0.1149","0.1288","","","","","","1.005","","","","has coordinates","228892","2020-10-21","18:00:00",""
"7230440","11.6901","0.0009","12.0958","0.0011","13.7122","0.0012","94.427","0.001","109.263","0.002","117.662","0.003","1558.4","0.2","298","2","298.15","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Fe2 La N2 O8 -","- C36 H25 Fe2 La N2 O8 -","- C72 H50 Fe4 La2 N4 O16 -","2","1","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.1063","0.0827","","","0.2352","0.2527","","","","","","1.015","","","","has coordinates","229101","2020-10-21","18:00:00",""
"7230441","11.5732","0.0009","12.0184","0.0011","13.6433","0.0012","94.667","0.001","109.238","0.002","117.504","0.003","1526.2","0.2","298","2","298.15","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Ce Fe2 N2 O8 -","- C36 H25 Ce Fe2 N2 O8 -","- C72 H50 Ce2 Fe4 N4 O16 -","2","1","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.0631","0.0443","","","0.0991","0.1096","","","","","","0.971","","","","has coordinates","229101","2020-10-21","18:00:00",""
"7230442","11.6308","0.0011","12.1047","0.0012","13.7228","0.0013","94.562","0.001","109.213","0.001","117.492","0.002","1555.4","0.3","298","2","298.15","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Fe2 N2 Nd O8 -","- C36 H25 Fe2 N2 Nd O8 -","- C72 H50 Fe4 N4 Nd2 O16 -","2","1","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.0481","0.0366","","","0.0793","0.0841","","","","","","0.972","","","","has coordinates","229101","2020-10-21","18:00:00",""
"7230443","11.3229","0.0011","10.413","0.0009","17.3743","0.0015","90","","90.417","0.001","90","","2048.5","0.3","298","2","298.15","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C40 H42 Ce2 Fe3 O17 -","- C40 H42 Ce2 Fe3 O17 -","- C80 H84 Ce4 Fe6 O34 -","2","0.5","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.0787","0.0462","","","0.0966","0.1118","","","","","","0.996","","","","has coordinates,has disorder","229101","2020-10-21","18:00:00",""
"7230444","11.3555","0.0011","10.4486","0.0009","17.4158","0.0016","90","","90.562","0.001","90","","2066.3","0.3","298","2","298.15","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C40 H42 Fe3 O17 Pr2 -","- C40 H42 Fe3 O17 Pr2 -","- C80 H84 Fe6 O34 Pr4 -","2","0.5","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.0864","0.0527","","","0.1154","0.1259","","","","","","0.911","","","","has coordinates,has disorder","229101","2020-10-21","18:00:00",""
"7230445","11.6323","0.0008","12.0808","0.0011","13.7012","0.0012","94.556","0.001","109.291","0.002","117.462","0.002","1549.5","0.2","298","2","298.15","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Fe2 N2 O8 Pr -","- C36 H25 Fe2 N2 O8 Pr -","- C72 H50 Fe4 N4 O16 Pr2 -","2","1","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.0505","0.0381","","","0.0827","0.088","","","","","","0.968","","","","has coordinates","229101","2020-10-21","18:00:00",""
"7230446","11.3463","0.0011","10.4194","0.0009","17.4356","0.0015","90","","90.709","0.001","90","","2061.1","0.3","298","2","298.15","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C40 H42 Fe3 O17 Tb2 -","- C40 H42 Fe3 O17 Tb2 -","- C80 H84 Fe6 O34 Tb4 -","2","0.5","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.1053","0.0589","","","0.1366","0.1623","","","","","","0.825","","","","has coordinates,has disorder","229101","2020-10-21","18:00:00",""
"7230447","11.2736","0.0012","10.3725","0.0011","17.2866","0.0017","90","","90.495","0.002","90","","2021.3","0.4","298","2","298.15","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C40 H42 Fe3 Nd2 O17 -","- C40 H42 Fe3 Nd2 O17 -","- C80 H84 Fe6 Nd4 O34 -","2","0.5","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.1311","0.0642","","","0.1454","0.1848","","","","","","1.054","","","","has coordinates,has disorder","229101","2020-10-21","18:00:00",""
"7230448","11.2587","0.0008","10.3499","0.0006","17.3086","0.0012","90","","90.52","0.001","90","","2016.8","0.2","298","2","298.15","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C40 H42 Eu2 Fe3 O17 -","- C40 H42 Eu2 Fe3 O17 -","- C80 H84 Eu4 Fe6 O34 -","2","0.5","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","1.54178","CuKα","","0.0932","0.0703","","","0.1645","0.182","","","","","","1.027","","","","has coordinates,has disorder","229101","2020-10-21","18:00:00",""
"7230449","11.2515","0.0011","10.3397","0.0009","17.251","0.0015","90","","90.612","0.001","90","","2006.8","0.3","298","2","298.15","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C40 H42 Fe3 Gd2 O17 -","- C40 H42 Fe3 Gd2 O17 -","- C80 H84 Fe6 Gd4 O34 -","2","0.5","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.0991","0.0549","","","0.1307","0.166","","","","","","0.876","","","","has coordinates,has disorder","229101","2020-10-21","18:00:00",""
"7230450","11.6356","0.0011","12.1243","0.0012","13.7652","0.0012","94.708","0.001","109.147","0.002","117.358","0.003","1565.3","0.3","298","2","298.15","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Fe2 N2 O8 Sm -","- C36 H25 Fe2 N2 O8 Sm -","- C72 H50 Fe4 N4 O16 Sm2 -","2","1","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.064","0.0423","","","0.0705","0.0766","","","","","","0.903","","","","has coordinates","229101","2020-10-21","18:00:00",""
"7230451","11.4571","0.0008","11.9664","0.0009","13.6101","0.0011","94.904","0.001","109.074","0.002","117.141","0.003","1507","0.2","298","2","298.15","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Fe2 Gd N2 O8 -","- C36 H25 Fe2 Gd N2 O8 -","- C72 H50 Fe4 Gd2 N4 O16 -","2","1","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.0638","0.0467","","","0.1194","0.1291","","","","","","0.984","","","","has coordinates","229101","2020-10-21","18:00:00",""
"7230452","11.2058","0.0012","10.2498","0.0009","17.3112","0.0019","90","","90.708","0.001","90","","1988.2","0.4","298","2","298.15","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C40 H42 Fe3 La2 O17 -","- C40 H42 Fe3 La2 O17 -","- C80 H84 Fe6 La4 O34 -","2","0.5","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.0888","0.0614","","","0.1702","0.1938","","","","","","1.034","","","","has coordinates,has disorder","229101","2020-10-21","18:00:00",""
"7230453","14.7692","0.0012","10.8892","0.0009","21.5846","0.0016","90","","90.501","0.001","90","","3471.2","0.5","298","2","298.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36.62 H27.86 Eu2 Fe3 O13.31 -","- C36.618 H27.854 Eu2 Fe3 O13.309 -","- C146.472 H111.416 Eu8 Fe12 O53.236 -","4","1","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.0961","0.0506","","","0.0768","0.0909","","","","","","0.928","","","","has coordinates,has disorder","229101","2020-10-21","18:00:00",""
"7230454","10.6759","0.0008","17.6542","0.0014","15.2541","0.0013","90","","107.965","0.002","90","","2734.8","0.4","298","2","298.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H48 Fe3 N4 O14 Tb2 -","- C62 H48 Fe3 N4 O14 Tb2 -","- C124 H96 Fe6 N8 O28 Tb4 -","2","0.5","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.052","0.0315","","","0.0657","0.0753","","","","","","1.094","","","","has coordinates,has disorder","229101","2020-10-21","18:00:00",""
"7230455","10.6759","0.0009","17.6628","0.0016","15.2933","0.0013","90","","108.152","0.002","90","","2740.3","0.4","298","2","298.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H48 Fe3 Gd2 N4 O14 -","- C62 H48 Fe3 Gd2 N4 O14 -","- C124 H96 Fe6 Gd4 N8 O28 -","2","0.5","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.0474","0.0295","","","0.0654","0.0746","","","","","","1.075","","","","has coordinates,has disorder","229101","2020-10-21","18:00:00",""
"7230456","10.6942","0.0009","17.7327","0.0016","15.3367","0.0014","90","","108.478","0.002","90","","2758.5","0.4","298","2","298.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H48 Fe3 N4 O14 Sm2 -","- C62 H48 Fe3 N4 O14 Sm2 -","- C124 H96 Fe6 N8 O28 Sm4 -","2","0.5","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.0512","0.0302","","","0.0612","0.0698","","","","","","1.035","","","","has coordinates,has disorder","229101","2020-10-21","18:00:00",""
"7230457","14.0408","0.0013","11.8581","0.0011","14.7027","0.0014","90","","108.905","0.002","90","","2315.9","0.4","298","2","298.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H32 Fe2 N6 Nd2 O14 -","- C48 H32 Fe2 N6 Nd2 O14 -","- C96 H64 Fe4 N12 Nd4 O28 -","2","0.5","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.0757","0.0571","","","0.1418","0.1552","","","","","","1.003","","","","has coordinates","229101","2020-10-21","18:00:00",""
"7230458","10.7129","0.0009","17.7399","0.0015","15.3398","0.0013","90","","108.298","0.002","90","","2767.9","0.4","298","2","298.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H48 Eu2 Fe3 N4 O14 -","- C62 H48 Eu2 Fe3 N4 O14 -","- C124 H96 Eu4 Fe6 N8 O28 -","2","0.5","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.0684","0.0386","","","0.0752","0.0867","","","","","","1.05","","","","has coordinates,has disorder","229101","2020-10-21","18:00:00",""
"7230459","11.2715","0.0009","10.3556","0.0008","17.3141","0.0015","90","","90.59","0.001","90","","2020.8","0.3","298","2","298.15","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C40 H42 Fe3 O17 Sm2 -","- C40 H42 Fe3 O17 Sm2 -","- C80 H84 Fe6 O34 Sm4 -","2","0.5","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.0782","0.0454","","","0.1172","0.1468","","","","","","0.876","","","","has coordinates,has disorder","229101","2020-10-21","18:00:00",""
"7230460","11.2291","0.0008","10.2751","0.0006","17.2975","0.0013","90","","90.784","0.001","90","","1995.6","0.2","298","2","298.15","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C40 H42 Er2 Fe3 O17 -","- C40 H42 Er2 Fe3 O17 -","- C80 H84 Er4 Fe6 O34 -","2","0.5","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.0605","0.0425","","","0.0937","0.105","","","","","","1.026","","","","has coordinates,has disorder","229101","2020-10-21","18:00:00",""
"7230461","11.2407","0.0009","10.3184","0.0008","17.3146","0.0015","90","","90.809","0.001","90","","2008.1","0.3","298","2","298.15","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C40 H42 Dy2 Fe3 O17 -","- C40 H42 Dy2 Fe3 O17 -","- C80 H84 Dy4 Fe6 O34 -","2","0.5","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.1094","0.0569","","","0.1181","0.1489","","","","","","1.025","","","","has coordinates,has disorder","229101","2020-10-21","18:00:00",""
"7230462","11.1973","0.0009","10.2417","0.0008","17.2793","0.0014","90","","90.797","0.001","90","","1981.4","0.3","298","2","298.15","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C40 H42 Fe3 O17 Tm2 -","- C40 H42 Fe3 O17 Tm2 -","- C80 H84 Fe6 O34 Tm4 -","2","0.5","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.074","0.0433","","","0.1128","0.1442","","","","","","0.906","","","","has coordinates,has disorder","229101","2020-10-21","18:00:00",""
"7230463","11.2469","0.0011","10.287","0.0009","20.5641","0.0018","90","","122.25","0.004","90","","2012.2","0.3","298","2","298.15","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C40 H42 Fe3 O17 Yb2 -","- C40 H42 Fe3 O17 Yb2 -","- C80 H84 Fe6 O34 Yb4 -","2","0.5","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.0671","0.0453","","","0.1153","0.1301","","","","","","0.805","","","","has coordinates,has disorder","229101","2020-10-21","18:00:00",""
"7230464","14.3873","0.0012","10.9087","0.0009","21.6106","0.0017","90","","90.752","0.001","90","","3391.4","0.5","298","2","298.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36.6 H27.8 Fe3 O13.3 Tb2 -","- C36.6 H27.8 Fe3 O13.3 Tb2 -","- C146.4 H111.2 Fe12 O53.2 Tb8 -","4","1","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.1146","0.0609","","","0.1277","0.1549","","","","","","1.043","","","","has coordinates,has disorder","229101","2020-10-21","18:00:00",""
"7230465","14.8077","0.0012","10.8766","0.0009","21.5334","0.0018","90","","90.597","0.001","90","","3467.9","0.5","298","2","298.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36.67 H28 Fe3 O13.34 Sm2 -","- C36.668 H28.004 Fe3 O13.334 Sm2 -","- C146.672 H112.016 Fe12 O53.336 Sm8 -","4","1","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.0989","0.052","","","0.1062","0.1302","","","","","","0.981","","","","has coordinates,has disorder","229101","2020-10-21","18:00:00",""
"7230481","14.1373","0.0003","11.23707","0.00018","9.45521","0.00017","90","","106.276","0.0019","90","","1441.87","0.05","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Zonisamide-2-hydroxy-5-methylpyridine","","- C14 H15 N3 O4 S -","- C14 H15 N3 O4 S -","- C56 H60 N12 O16 S4 -","4","1","","Aitipamula, Srinivasulu; Cadden, Joseph; Chow, Pui Shan","Cocrystals of zonisamide: physicochemical characterization and sustained release solid forms","CrystEngComm","2018","20","21","2923","","10.1039/C8CE00084K","","x-ray","0.71073","MoKα","","0.0324","0.0301","","","0.0775","0.079","","","","","","1.056","","","","has coordinates","229111","2020-10-21","18:00:00",""
"7230482","9.5902","0.0001","13.3084","0.0001","14.2436","0.0001","90","","91.855","0.001","90","","1816.96","0.03","297.3","0.4","297.3","0.4","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Zonisamide:Caffeine","","- C16 H18 N6 O5 S -","- C16 H18 N6 O5 S -","- C64 H72 N24 O20 S4 -","4","1","","Aitipamula, Srinivasulu; Cadden, Joseph; Chow, Pui Shan","Cocrystals of zonisamide: physicochemical characterization and sustained release solid forms","CrystEngComm","2018","20","21","2923","","10.1039/C8CE00084K","","x-ray","1.54184","CuKα","","0.0504","0.0504","","","0.1446","0.1446","","","","","","1.041","","","","has coordinates","229111","2020-10-21","18:00:00",""
"7230490","9.1533","0.0004","11.0888","0.0004","18.0746","0.0007","100.192","0.003","103.814","0.004","90.08","0.003","1751.55","0.13","143","","143","","","","","","","","","3","P -1","-P 1","2","DE2","N, N'-bis [(4-diethylaminophenyl) methylidene] diaminomaleonitrile","","- C26 H30 N6 -","- C26 H30 N6 -","- C78 H90 N18 -","3","1.5","","Minami, Takaya; Sato, Hiroyasu; Matsumoto, Shinya","Macroscopic crystalline deformation in an organic dye during reversible phase transition caused by alkyl disorder","CrystEngComm","2018","20","19","2644","","10.1039/C8CE00465J","","","0.71075","MoKα","","0.1228","0.0684","","","0.153","0.1855","","","","","","1.026","","","","has coordinates","229014","2020-10-21","18:00:00",""
"7230491","9.1764","0.0004","11.1823","0.0004","18.1079","0.0007","79.869","0.003","76.15","0.003","89.88","0.003","1774.4","0.12","243","","243","","","","","","","","","3","P -1","-P 1","2","DE2","N, N'-bis [(4-diethylaminophenyl) methylidene] diaminomaleonitrile","","- C26 H30 N6 -","- C26 H30 N6 -","- C78 H90 N18 -","3","1.5","","Minami, Takaya; Sato, Hiroyasu; Matsumoto, Shinya","Macroscopic crystalline deformation in an organic dye during reversible phase transition caused by alkyl disorder","CrystEngComm","2018","20","19","2644","","10.1039/C8CE00465J","","","0.71075","MoKα","","0.1548","0.0783","","","0.1777","0.2265","","","","","","1.026","","","","has coordinates","229014","2020-10-21","18:00:00",""
"7230492","9.1906","0.0005","11.229","0.0006","18.12","0.0009","79.943","0.004","76.137","0.004","89.745","0.004","1786.27","0.17","293","","293","","","","","","","","","3","P -1","-P 1","2","DE2","N, N'-bis [(4-diethylaminophenyl) methylidene] diaminomaleonitrile","","- C26 H30 N6 -","- C26 H30 N6 -","- C78 H90 N18 -","3","1.5","","Minami, Takaya; Sato, Hiroyasu; Matsumoto, Shinya","Macroscopic crystalline deformation in an organic dye during reversible phase transition caused by alkyl disorder","CrystEngComm","2018","20","19","2644","","10.1039/C8CE00465J","","","0.71075","MoKα","","0.1783","0.0818","","","0.1859","0.2478","","","","","","1.027","","","","has coordinates","229014","2020-10-21","18:00:00",""
"7230493","9.2864","0.0007","11.4128","0.0007","18.2356","0.0012","80.141","0.006","76.139","0.006","89.451","0.006","1847.7","0.2","393","","393","","","","","","","","","3","P -1","-P 1","2","DE2","N, N'-bis [(4-diethylaminophenyl) methylidene] diaminomaleonitrile","","- C26 H30 N6 -","- C26 H30 N6 -","- C78 H90 N18 -","3","1.5","","Minami, Takaya; Sato, Hiroyasu; Matsumoto, Shinya","Macroscopic crystalline deformation in an organic dye during reversible phase transition caused by alkyl disorder","CrystEngComm","2018","20","19","2644","","10.1039/C8CE00465J","","","0.71075","MoKα","","0.2562","0.0857","","","0.1952","0.2965","","","","","","0.956","","","","has coordinates","229014","2020-10-21","18:00:00",""
"7230494","9.1682","0.0004","11.1406","0.0004","18.1008","0.0007","79.815","0.003","76.166","0.004","89.991","0.003","1765.17","0.13","193","","193","","","","","","","","","3","P -1","-P 1","2","DE2","N, N'-bis [(4-diethylaminophenyl) methylidene] diaminomaleonitrile","","- C26 H30 N6 -","- C26 H30 N6 -","- C78 H90 N18 -","3","1.5","","Minami, Takaya; Sato, Hiroyasu; Matsumoto, Shinya","Macroscopic crystalline deformation in an organic dye during reversible phase transition caused by alkyl disorder","CrystEngComm","2018","20","19","2644","","10.1039/C8CE00465J","","","0.71075","MoKα","","0.133","0.0719","","","0.1601","0.1991","","","","","","1.02","","","","has coordinates","229014","2020-10-21","18:00:00",""
"7230495","9.241","0.0005","11.3265","0.0006","18.1906","0.001","80.038","0.005","76.141","0.005","89.607","0.005","1819.49","0.18","343","","343","","","","","","","","","3","P -1","-P 1","2","DE2","N, N'-bis [(4-diethylaminophenyl) methylidene] diaminomaleonitrile","","- C26 H30 N6 -","- C26 H30 N6 -","- C78 H90 N18 -","3","1.5","","Minami, Takaya; Sato, Hiroyasu; Matsumoto, Shinya","Macroscopic crystalline deformation in an organic dye during reversible phase transition caused by alkyl disorder","CrystEngComm","2018","20","19","2644","","10.1039/C8CE00465J","","","0.71075","MoKα","","0.2086","0.0841","","","0.1908","0.2665","","","","","","1.02","","","","has coordinates","229014","2020-10-21","18:00:00",""
"7230496","7.2349","0.0009","9.5192","0.0015","9.8308","0.0018","87.588","0.014","84.227","0.012","70.714","0.013","635.79","0.18","443","","443","","","","","","","","","3","P -1","-P 1","2","DE2","N, N'-bis [(4-diethylaminophenyl) methylidene] diaminomaleonitrile","","- C26 H30 N6 -","- C26 H30 N6 -","- C26 H30 N6 -","1","0.5","","Minami, Takaya; Sato, Hiroyasu; Matsumoto, Shinya","Macroscopic crystalline deformation in an organic dye during reversible phase transition caused by alkyl disorder","CrystEngComm","2018","20","19","2644","","10.1039/C8CE00465J","","","0.71075","MoKα","","0.1253","0.0758","","","0.2415","0.3135","","","","","","0.965","","","","has coordinates,has disorder","229014","2020-10-21","18:00:00",""
"7230503","14.2424","0.0008","5.0793","0.0003","33.737","0.002","90","","95.632","0.004","90","","2428.8","0.2","123","2","123.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H24 N4 O7 -","- C27 H24 N4 O7 -","- C108 H96 N16 O28 -","4","1","","Luo, Chun; Liang, Wendong; Chen, Xin; Wang, Jianming; Deng, Zongwu; Zhang, Hailu","Pharmaceutical cocrystals of naringenin with improved dissolution performance","CrystEngComm","2018","20","22","3025","","10.1039/C8CE00341F","","","1.54178","CuKα","","0.0623","0.0473","","","0.1374","0.1485","","","","","","1.05","","","","has coordinates,has disorder","228900","2020-10-21","18:00:00",""
"7230504","21.6006","0.0007","6.6844","0.0003","13.556","0.0005","90","","92.0997","0.0019","90","","1956","0.13","296.15","","296.15","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C20 H23 N O7 -","- C20 H23 N O7 -","- C80 H92 N4 O28 -","4","1","","Luo, Chun; Liang, Wendong; Chen, Xin; Wang, Jianming; Deng, Zongwu; Zhang, Hailu","Pharmaceutical cocrystals of naringenin with improved dissolution performance","CrystEngComm","2018","20","22","3025","","10.1039/C8CE00341F","","","1.54178","CuKα","","0.0578","0.0524","","","0.1438","0.1489","","","","","","1.045","","","","has coordinates,has disorder","228900","2020-10-21","18:00:00",""
"7230505","6.5955","0.0013","8.4859","0.0017","10.52","0.002","97.89","0.03","104.35","0.03","105.18","0.03","537.5","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 Li2 O18 S2 -","- C14 H18 Li2 O18 S2 -","- C14 H18 Li2 O18 S2 -","1","0.5","","Ge, Zhong-Yi; Zhu, Zhi-Biao; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Structure evolution and luminescence properties of lithium(i)‒sulfonate complexes constructed from multifunctional arenedisulfonic acids","CrystEngComm","2018","20","21","2968","","10.1039/C8CE00224J","","","0.71073","MoKα","","0.0623","0.0457","","","0.1113","0.1458","","","","","","1.094","","","","has coordinates","229112","2020-10-21","18:00:00",""
"7230506","9.4773","0.0019","11.234","0.002","11.395","0.002","103.42","0.03","105.59","0.03","111.57","0.03","1009.9","0.6","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H15 Li3 O17 S2 -","- C14 H15 Li3 O17 S2 -","- C28 H30 Li6 O34 S4 -","2","1","","Ge, Zhong-Yi; Zhu, Zhi-Biao; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Structure evolution and luminescence properties of lithium(i)‒sulfonate complexes constructed from multifunctional arenedisulfonic acids","CrystEngComm","2018","20","21","2968","","10.1039/C8CE00224J","","","0.71073","MoKα","","0.1022","0.0569","","","0.1578","0.2264","","","","","","1.049","","","","has coordinates","229112","2020-10-21","18:00:00",""
"7230507","7.9183","0.0016","23.776","0.005","14.591","0.003","90","","91.53","0.03","90","","2746","1","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H30 Li4 O25 S2 -","- C14 H30 Li4 O25 S2 -","- C56 H120 Li16 O100 S8 -","4","0.5","","Ge, Zhong-Yi; Zhu, Zhi-Biao; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Structure evolution and luminescence properties of lithium(i)‒sulfonate complexes constructed from multifunctional arenedisulfonic acids","CrystEngComm","2018","20","21","2968","","10.1039/C8CE00224J","","","0.71073","MoKα","","0.0914","0.051","","","0.1158","0.1678","","","","","","1.099","","","","has coordinates","229112","2020-10-21","18:00:00",""
"7230508","6.744","0.002","7.4426","0.0015","11.956","0.004","82.36","0.03","75.55","0.03","65.57","0.02","528.8","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H9 Li O9 S -","- C7 H9 Li O9 S -","- C14 H18 Li2 O18 S2 -","2","1","","Ge, Zhong-Yi; Zhu, Zhi-Biao; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Structure evolution and luminescence properties of lithium(i)‒sulfonate complexes constructed from multifunctional arenedisulfonic acids","CrystEngComm","2018","20","21","2968","","10.1039/C8CE00224J","","","0.71073","MoKα","","0.0835","0.0551","","","0.1154","0.1296","","","","","","1.034","","","","has coordinates","229112","2020-10-21","18:00:00",""
"7230509","6.7774","0.0014","19.536","0.004","12.428","0.004","90","","107.44","0.03","90","","1569.9","0.7","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H18 Li2 O14 S -","- C7 H18 Li2 O14 S -","- C28 H72 Li8 O56 S4 -","4","1","","Ge, Zhong-Yi; Zhu, Zhi-Biao; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Structure evolution and luminescence properties of lithium(i)‒sulfonate complexes constructed from multifunctional arenedisulfonic acids","CrystEngComm","2018","20","21","2968","","10.1039/C8CE00224J","","","0.71073","MoKα","","0.0628","0.0601","","","0.0678","0.0831","","","","","","1.009","","","","has coordinates","229112","2020-10-21","18:00:00",""
"7230510","6.6823","0.0013","22.875","0.005","17.016","0.003","90","","99.25","0.03","90","","2567.2","0.9","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H28 Li4 O24 S2 -","- C14 H28 Li4 O24 S2 -","- C56 H112 Li16 O96 S8 -","4","0.5","","Ge, Zhong-Yi; Zhu, Zhi-Biao; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Structure evolution and luminescence properties of lithium(i)‒sulfonate complexes constructed from multifunctional arenedisulfonic acids","CrystEngComm","2018","20","21","2968","","10.1039/C8CE00224J","","","0.71073","MoKα","","0.1017","0.0658","","","0.1543","0.183","","","","","","1.089","","","","has coordinates","229112","2020-10-21","18:00:00",""
"7230511","7.654","0.0015","7.9908","0.0016","11.596","0.002","100.74","0.03","92.23","0.03","117.66","0.03","610.7","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H12 Li2 O11 S -","- C7 H12 Li2 O11 S -","- C14 H24 Li4 O22 S2 -","2","1","","Ge, Zhong-Yi; Zhu, Zhi-Biao; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Structure evolution and luminescence properties of lithium(i)‒sulfonate complexes constructed from multifunctional arenedisulfonic acids","CrystEngComm","2018","20","21","2968","","10.1039/C8CE00224J","","","0.71073","MoKα","","0.1129","0.0565","","","0.1157","0.1858","","","","","","1.077","","","","has coordinates","229112","2020-10-21","18:00:00",""
"7230512","6.7398","0.0013","8.9279","0.0018","11.803","0.002","94.93","0.03","96.12","0.03","106.26","0.03","672.9","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H28 Li6 O25 S2 -","- C14 H28 Li6 O25 S2 -","- C14 H28 Li6 O25 S2 -","1","0.5","","Ge, Zhong-Yi; Zhu, Zhi-Biao; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Structure evolution and luminescence properties of lithium(i)‒sulfonate complexes constructed from multifunctional arenedisulfonic acids","CrystEngComm","2018","20","21","2968","","10.1039/C8CE00224J","","","0.71073","MoKα","","0.0601","0.0542","","","0.1483","0.1587","","","","","","1.094","","","","has coordinates","229112","2020-10-21","18:00:00",""
"7230514","6.416","0.014","3.922","0.009","31.56","0.06","90","","90.01","0.03","90","","794","3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H7 F O2 -","- C9 H7 F O2 -","- C36 H28 F4 O8 -","4","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.1572","0.1008","","","0.2796","0.3288","","","","","","1.026","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230515","6.394","0.004","3.753","0.002","31.224","0.017","90","","90.01","0.03","90","","749.3","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6.53 F1.47 O2 -","- C9 H6.53 F1.47 O2 -","- C36 H26.12 F5.88 O8 -","4","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.139","0.1064","","","0.3002","0.3471","","","","","","1.04","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230516","6.326","0.004","3.7474","0.0014","32.081","0.017","90","","91.7","0.03","90","","760.2","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6.46 F1.54 O2 -","- C9 H6.459 F1.541 O2 -","- C36 H25.836 F6.164 O8 -","4","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.1508","0.1031","","","0.2628","0.3089","","","","","","1.009","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230517","3.7371","0.0002","6.3196","0.0003","32.5261","0.0014","90","","92.317","0.002","90","","767.54","0.06","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H6.39 F1.62 O2 -","- C9 H6.385 F1.615 O2 -","- C36 H25.54 F6.46 O8 -","4","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.0831","0.0681","","","0.1698","0.1765","","","","","","1.092","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230518","3.7435","0.0001","6.3336","0.0002","32.481","0.0009","90","","92.31","0.001","90","","769.49","0.04","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H6.44 F1.56 O2 -","- C9 H6.437 F1.563 O2 -","- C36 H25.748 F6.252 O8 -","4","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.0595","0.0481","","","0.1181","0.1247","","","","","","1.029","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230519","3.738","0.005","6.608","0.009","31.18","0.04","90","","90.847","0.016","90","","770.1","1.8","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H6.29 F1.71 O2 -","- C9 H6.294 F1.706 O2 -","- C36 H25.176 F6.824 O8 -","4","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.0793","0.0653","","","0.1634","0.1748","","","","","","1.053","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230520","3.7401","0.0011","6.5015","0.0018","32.588","0.009","90","","92.075","0.015","90","","791.9","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H6.1 F1.9 O2 -","- C9 H6.1 F1.9 O2 -","- C36 H24.4 F7.6 O8 -","4","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.1121","0.092","","","0.2456","0.2681","","","","","","1.007","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230521","3.7674","0.0011","6.5778","0.0019","31.345","0.009","90","","91.121","0.015","90","","776.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H6.24 F1.76 O2 -","- C9 H6.24 F1.76 O2 -","- C36 H24.96 F7.04 O8 -","4","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.0997","0.0807","","","0.235","0.2528","","","","","","1.096","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230522","3.886","0.01","6.464","0.016","31.73","0.08","90","","92.54","0.03","90","","796","3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H7 F O2 -","- C9 H7 F O2 -","- C36 H28 F4 O8 -","4","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.126","0.0901","","","0.2832","0.3283","","","","","","1.055","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230523","3.789","0.004","6.337","0.006","15.846","0.016","84.53","0.02","85.15","0.019","87.11","0.03","377","0.7","373","2","373","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H7 F O2 -","- C9 H7 F O2 -","- C18 H14 F2 O4 -","2","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.0702","0.0647","","","0.1767","0.1834","","","","","","0.999","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230524","3.807","0.008","6.296","0.013","15.98","0.03","84.74","0.04","84.44","0.04","86.65","0.05","379.1","1.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H7 F O2 -","- C9 H6.995 F1.005 O2 -","- C18 H13.99 F2.01 O4 -","2","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.0862","0.0611","","","0.1579","0.1827","","","","","","0.912","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230525","3.7384","0.0013","6.621","0.003","31.171","0.01","90","","90.852","0.019","90","","771.5","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H6.47 F1.54 O2 -","- C9 H6.465 F1.535 O2 -","- C36 H25.86 F6.14 O8 -","4","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.0728","0.0591","","","0.149","0.1592","","","","","","0.983","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230526","6.322","0.003","3.7467","0.0016","32.162","0.013","90","","91.57","0.02","90","","761.5","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6.43 F1.57 O2 -","- C9 H6.432 F1.568 O2 -","- C36 H25.728 F6.272 O8 -","4","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.1457","0.1032","","","0.2698","0.3042","","","","","","1.068","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230527","3.768","0.016","6.37","0.03","32.12","0.13","90","","92.13","0.06","90","","770","6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H6.36 F1.64 O2 -","- C9 H6.362 F1.638 O2 -","- C36 H25.448 F6.552 O8 -","4","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.1661","0.1131","","","0.305","0.3644","","","","","","1.076","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230528","3.749","0.008","6.347","0.014","32.46","0.07","90","","92.23","0.03","90","","772","3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H6.3 F1.7 O2 -","- C9 H6.297 F1.703 O2 -","- C36 H25.188 F6.812 O8 -","4","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.114","0.0897","","","0.25","0.2822","","","","","","1.043","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230529","3.756","0.009","6.293","0.016","16.06","0.04","86.11","0.04","85.37","0.06","87.17","0.05","377.1","1.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H6.49 F1.51 O2 -","- C9 H6.491 F1.509 O2 -","- C18 H12.982 F3.018 O4 -","2","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.1225","0.0803","","","0.2028","0.2487","","","","","","1.029","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230530","3.783","0.006","6.316","0.01","16.16","0.03","86.25","0.02","85.69","0.04","87.28","0.03","383.9","1.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H6.5 F1.51 O2 -","- C9 H6.495 F1.505 O2 -","- C18 H12.99 F3.01 O4 -","2","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.09","0.0622","","","0.1487","0.1701","","","","","","1.036","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230531","3.742","0.0013","6.613","0.003","31.174","0.015","90","","90.79","0.02","90","","771.4","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H6.55 F1.45 O2 -","- C9 H6.546 F1.454 O2 -","- C36 H26.184 F5.816 O8 -","4","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.0948","0.0784","","","0.1968","0.2128","","","","","","0.998","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230532","3.8093","0.0005","6.5708","0.0009","31.453","0.004","90","","90.551","0.004","90","","787.24","0.18","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H6 F2 O2 -","- C9 H6 F2 O2 -","- C36 H24 F8 O8 -","4","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.1455","0.0981","","","0.2675","0.3211","","","","","","0.974","","","","has coordinates","229045","2020-10-21","18:00:00",""
"7230533","6.307","0.012","3.778","0.007","31.68","0.05","90","","91.02","0.04","90","","755","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H7 F O2 -","- C9 H7 F O2 -","- C36 H28 F4 O8 -","4","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.1214","0.0795","","","0.1825","0.2027","","","","","","0.814","","","","has coordinates","229045","2020-10-21","18:00:00",""
"7230534","3.7681","0.0016","6.618","0.003","31.762","0.015","90","","95.72","0.03","90","","788.1","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6.76 F1.24 O2 -","- C9 H6.762 F1.238 O2 -","- C36 H27.048 F4.952 O8 -","4","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.1249","0.0932","","","0.2133","0.2395","","","","","","1.131","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230535","3.735","0.004","6.614","0.008","31.11","0.03","90","","90.93","0.02","90","","768.4","1.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H6.31 F1.69 O2 -","- C9 H6.308 F1.692 O2 -","- C36 H25.232 F6.768 O8 -","4","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.0959","0.0781","","","0.1698","0.1836","","","","","","0.969","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230536","3.8154","0.0004","6.3634","0.0006","32.845","0.003","90","","91.146","0.003","90","","797.28","0.13","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H6 F2 O2 -","- C9 H6 F2 O2 -","- C36 H24 F8 O8 -","4","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.0754","0.0605","","","0.1473","0.1592","","","","","","1.075","","","","has coordinates","229045","2020-10-21","18:00:00",""
"7230537","3.7189","0.0003","6.4694","0.0006","32.965","0.003","90","","92.198","0.004","90","","792.52","0.12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H6 F2 O2 -","- C9 H6 F2 O2 -","- C36 H24 F8 O8 -","4","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.0526","0.0473","","","0.1252","0.1297","","","","","","1.031","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230538","6.578","0.002","3.7325","0.001","31.302","0.011","90","","90.178","0.015","90","","768.5","0.4","373","2","373","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6.49 F1.51 O2 -","- C9 H6.487 F1.513 O2 -","- C36 H25.948 F6.052 O8 -","4","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.1023","0.0727","","","0.186","0.2147","","","","","","1.062","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230539","3.769","0.009","6.599","0.015","31.6","0.07","90","","91.27","0.03","90","","786","3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H6.26 F1.74 O2 -","- C9 H6.264 F1.736 O2 -","- C36 H25.056 F6.944 O8 -","4","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.1139","0.0957","","","0.2303","0.2547","","","","","","0.958","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230540","6.348","0.011","3.765","0.007","32.16","0.06","90","","91.47","0.03","90","","768","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6.46 F1.55 O2 -","- C9 H6.455 F1.545 O2 -","- C36 H25.82 F6.18 O8 -","4","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.1389","0.1082","","","0.2826","0.3252","","","","","","1.057","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230541","21.287","0.003","21.287","0.003","6.9924","0.001","90","","90","","90","","3168.5","0.8","293","2","293","2","","","","","","","","5","I -4","I -4","82","","","","- C12 H8 O27 P4 U4 -","- C12 H8 O27 P4 U4 -","- C48 H32 O108 P16 U16 -","4","0.5","","Wang, Yi; Wang, Xiangxiang; Zhang, Dongya; Zhou, Fan; Gui, Daxiang; Zheng, Tao; Li, Jiansheng; Chai, Zhifang; Wang, Shuao","A uranyl phosphonate framework with a temperature-induced order‒disorder transition and temperature-correlated photoluminescence","CrystEngComm","2018","20","23","3153","","10.1039/C8CE00450A","","","0.71073","MoKα","","0.0456","0.0399","","","0.0964","0.0988","","","","","","1.062","","","","has coordinates,has disorder","229104","2020-10-21","18:00:00",""
"7230542","21.114","0.006","21.114","0.006","6.941","0.002","90","","90","","90","","3094.3","1.5","100","2","100","2","","","","","","","","5","I -4","I -4","82","","","","- C12 H16 O27 P4 U4 -","- C12 H16 O27 P4 U4 -","- C48 H64 O108 P16 U16 -","4","0.5","","Wang, Yi; Wang, Xiangxiang; Zhang, Dongya; Zhou, Fan; Gui, Daxiang; Zheng, Tao; Li, Jiansheng; Chai, Zhifang; Wang, Shuao","A uranyl phosphonate framework with a temperature-induced order‒disorder transition and temperature-correlated photoluminescence","CrystEngComm","2018","20","23","3153","","10.1039/C8CE00450A","","","0.71073","MoKα","","0.0405","0.0351","","","0.0776","0.0798","","","","","","1.057","","","","has coordinates","229104","2020-10-21","18:00:00",""
"7230543","29.3603","0.0005","29.3603","0.0005","20.4187","0.0004","90","","90","","120","","15243.3","0.5","296","2","296","2","","","","","","","","6","P 32","P 32","145","lamivudine duplex V","","","- C36 H48 F6 N12 O17 S4 -","- C36 H48 F6 N12 O17 S4 -","- C432 H576 F72 N144 O204 S48 -","12","4","","da Silva, Cameron Capeletti; Valdo, Ana K.; do Nascimento Neto, José Antônio; Ribeiro, Leandro; Sarotti, Ariel M.; Martins, Felipe Terra","Why lamivudine assembles into double-stranded helices in crystals: salt heterosynthon versus base-pairing homosynthon","CrystEngComm","2018","20","22","3049","","10.1039/C8CE00100F","","","0.71073","MoKα","","0.0922","0.0649","","","0.1625","0.1863","","","","","","1.025","","","","has coordinates,has disorder","228898","2020-10-21","18:00:00",""
"7230544","6.2322","0.0007","13.2055","0.0015","17.424","0.002","90","","90","","90","","1434","0.3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","lamivudine perchlorate monohydrate","","","- C8 H14 Cl N3 O8 S -","- C8 H14 Cl N3 O8 S -","- C32 H56 Cl4 N12 O32 S4 -","4","1","","da Silva, Cameron Capeletti; Valdo, Ana K.; do Nascimento Neto, José Antônio; Ribeiro, Leandro; Sarotti, Ariel M.; Martins, Felipe Terra","Why lamivudine assembles into double-stranded helices in crystals: salt heterosynthon versus base-pairing homosynthon","CrystEngComm","2018","20","22","3049","","10.1039/C8CE00100F","","","0.71073","MoKα","","0.0721","0.0469","","","0.1052","0.1194","","","","","","1.032","","","","has coordinates,has disorder","228898","2020-10-21","18:00:00",""
"7230545","6.756","0.002","10.726","0.003","23.809","0.008","90","","90","","90","","1725.3","0.9","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","lamivudine hydrogen sulfate","","","- C8 H13 N3 O7 S2 -","- C8 H13 N3 O7 S2 -","- C32 H52 N12 O28 S8 -","4","1","","da Silva, Cameron Capeletti; Valdo, Ana K.; do Nascimento Neto, José Antônio; Ribeiro, Leandro; Sarotti, Ariel M.; Martins, Felipe Terra","Why lamivudine assembles into double-stranded helices in crystals: salt heterosynthon versus base-pairing homosynthon","CrystEngComm","2018","20","22","3049","","10.1039/C8CE00100F","","","0.71073","MoKα","","0.1028","0.0839","","","0.2231","0.2463","","","","","","1.042","","","","has coordinates,has disorder","228898","2020-10-21","18:00:00",""
"7230546","6.7148","0.0014","17.982","0.006","19.374","0.005","90","","90","","90","","2339.3","1.1","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","lamivudine sulfate","","","- C16 H24 N6 O10 S3 -","- C16 H24 N6 O10 S3 -","- C64 H96 N24 O40 S12 -","4","1","","da Silva, Cameron Capeletti; Valdo, Ana K.; do Nascimento Neto, José Antônio; Ribeiro, Leandro; Sarotti, Ariel M.; Martins, Felipe Terra","Why lamivudine assembles into double-stranded helices in crystals: salt heterosynthon versus base-pairing homosynthon","CrystEngComm","2018","20","22","3049","","10.1039/C8CE00100F","","","0.71073","MoKα","","0.0806","0.0488","","","0.0978","0.1141","","","","","","1.024","","","","has coordinates","228898","2020-10-21","18:00:00",""
"7230547","14.838","0.001","14.838","0.001","42.003","0.003","90","","90","","120","","8008.7","1","293","2","293","2","","","","","","","","6","P 61","P 61","169","lamivudine duplex VI","","","- C36 H48 Cl6 N12 O17 S4 -","- C36 H48 Cl6 N12 O17 S4 -","- C216 H288 Cl36 N72 O102 S24 -","6","1","","da Silva, Cameron Capeletti; Valdo, Ana K.; do Nascimento Neto, José Antônio; Ribeiro, Leandro; Sarotti, Ariel M.; Martins, Felipe Terra","Why lamivudine assembles into double-stranded helices in crystals: salt heterosynthon versus base-pairing homosynthon","CrystEngComm","2018","20","22","3049","","10.1039/C8CE00100F","","","0.71073","MoKα","","0.2581","0.1421","","","0.3309","0.4163","","","","","","1.243","","","","has coordinates","228898","2020-10-21","18:00:00",""
"7230548","10.217","0.003","13.069","0.004","14.918","0.005","90","","95.342","0.007","90","","1983.3","1.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Olanzapine propan-1-ol","2-Methyl-4-(4-methylpiperazin-1-yl)-10<i>H</i>-\ thieno[2,3-<i>b</i>][1,5]benzodiazepine propan-1-ol solvate","","- C20 H28 N4 O S -","- C20 H28 N4 O S -","- C80 H112 N16 O4 S4 -","4","1","","Bhardwaj, Rajni M.; Reutzel-Edens, Susan M.; Johnston, Blair F.; Florence, Alastair J.","A random forest model for predicting crystal packing of olanzapine solvates","CrystEngComm","2018","20","28","3947","","10.1039/C8CE00261D","","","0.71073","MoKα","","0.0927","0.0531","","","0.1229","0.1383","","","","","","0.928","","","","has coordinates","228883","2020-10-21","18:00:00",""
"7230559","15.582","0.003","19.365","0.002","22.631","0.004","91.544","0.007","92.106","0.015","93.021","0.013","6811.9","1.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C105 H127 F9 O52 Ti13 -","- C105 H117 F9 O52 Ti13 -","- C210 H234 F18 O104 Ti26 -","2","1","","Zhu, Bang-Chang; Fang, Wei-Hui; Emayavaramban, Perumal; Zhang, Lei; Zhang, Jian","Structures and photophysical performances of (fluoro)salicylate stabilized polyoxo-titanium clusters","CrystEngComm","2018","20","39","5964","","10.1039/C8CE00150B","","","0.71073","MoKα","","0.1636","0.0925","","","0.2263","0.2754","","","","","","1.036","","","","has coordinates","228983","2020-10-21","18:00:00",""
"7230560","30.9695","0.0005","17.8839","0.0003","26.09","0.0004","90","","108.239","0.002","90","","13724.1","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C113 H260 O55 Ti14 -","- C113 H168 O55 Ti14 -","- C452 H672 O220 Ti56 -","4","1","","Zhu, Bang-Chang; Fang, Wei-Hui; Emayavaramban, Perumal; Zhang, Lei; Zhang, Jian","Structures and photophysical performances of (fluoro)salicylate stabilized polyoxo-titanium clusters","CrystEngComm","2018","20","39","5964","","10.1039/C8CE00150B","","","1.54178","CuKα","","0.1027","0.0851","","","0.228","0.2498","","","","","","1.061","","","","has coordinates","228983","2020-10-21","18:00:00",""
"7230563","7.3454","0.0013","6.2161","0.001","10.797","0.0018","90","","108.144","0.015","90","","468.48","0.14","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H10 N2 O2 -","- C10 H10 N2 O2 -","- C20 H20 N4 O4 -","2","1","","Daszkiewicz, Marek; Puszyńska-Tuszkanow, Mariola; Staszak, Zbigniew; Chojnacka, Ida; Fałtynowicz, Hanna; Cieślak-Golonka, Maria","Single crystal-to-single crystal transformations induced by ammonia‒water equilibrium changes","CrystEngComm","2018","20","21","2907","","10.1039/C8CE00401C","","","0.71073","MoKα","","0.0895","0.0673","","","0.184","0.1977","","","","","","1.001","","","","has coordinates","229110","2020-10-21","18:00:00",""
"7230564","10.3679","0.001","6.4569","0.0007","18.3125","0.0015","90","","98.023","0.007","90","","1213.9","0.2","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H30.52 N6 Ni O7.26 -","- C20 H30.5252 N6 Ni O7.262 -","- C40 H61.0504 N12 Ni2 O14.524 -","2","0.5","","Daszkiewicz, Marek; Puszyńska-Tuszkanow, Mariola; Staszak, Zbigniew; Chojnacka, Ida; Fałtynowicz, Hanna; Cieślak-Golonka, Maria","Single crystal-to-single crystal transformations induced by ammonia‒water equilibrium changes","CrystEngComm","2018","20","21","2907","","10.1039/C8CE00401C","","","0.71073","MoKα","","0.0751","0.052","","","0.1396","0.1533","","","","","","1.078","","","","has coordinates","229110","2020-10-21","18:00:00",""
"7230565","6.7306","0.0012","8.9921","0.0013","10.4338","0.0015","95.898","0.012","91.502","0.013","99.545","0.014","618.84","0.17","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H31.66 N7.23 Ni O6 -","- C20 H31.6768 N7.226 Ni O6 -","- C20 H31.6768 N7.226 Ni O6 -","1","0.5","","Daszkiewicz, Marek; Puszyńska-Tuszkanow, Mariola; Staszak, Zbigniew; Chojnacka, Ida; Fałtynowicz, Hanna; Cieślak-Golonka, Maria","Single crystal-to-single crystal transformations induced by ammonia‒water equilibrium changes","CrystEngComm","2018","20","21","2907","","10.1039/C8CE00401C","","","0.71073","MoKα","","0.0653","0.0559","","","0.1394","0.1507","","","","","","1.114","","","","has coordinates","229110","2020-10-21","18:00:00",""
"7230566","5.72409","0.00005","7.91013","0.00008","5.45235","0.00006","90","","90","","90","","246.873","0.004","302","2","302","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Dy O6 Sc2 Tb -","- Dy O6 Sc2 Tb -","- Dy2 O12 Sc4 Tb2 -","2","0.25","","Guguschev, C.; Hidde, J.; Gesing, T. M.; Gogolin, M.; Klimm, D.","Czochralski growth and characterization of TbxGd1−xScO3 and TbxDy1−xScO3 solid-solution single crystals","CrystEngComm","2018","20","20","2868","","10.1039/C8CE00335A","","","0.71073","MoKα","","0.0182","0.0167","","","0.0393","0.0397","","","","","","1.373","","","","has coordinates","229042","2020-10-21","18:00:00",""
"7230567","9.643","0.002","9.643","0.002","32.282","0.008","90","","90","","120","","2599.7","1","293","2","293","2","","","","","","","","6","P 65","P 65","170","","rac-1-benzyl-3-bromo-4-[(4-bromophenyl)sulfanyl]-5-hydroxy-1,5-dihydro-2H-pyrrol-2-one","","- C17 H13 Br2 N O2 S -","- C17 H13 Br2 N O2 S -","- C102 H78 Br12 N6 O12 S6 -","6","1","","Lodochnikova, Olga A.; Zaripova, Aigul R.; Fayzullin, Robert R.; Samigullina, Aida I.; Vandyukova, Irina I.; Potapova, Lubov N.; Kurbangalieva, Almira R.","“Doubly enantiophobic” behavior during crystallization of racemic 1,5-dihydro-2H-pyrrol-2-one thioether","CrystEngComm","2018","20","23","3218","","10.1039/C8CE00369F","","x-ray","0.71073","MoKα","","0.061","0.0437","","","0.107","0.1174","","","","","","1.036","","","","has coordinates,has disorder","229109","2020-10-21","18:00:00",""
"7230568","9.071","0.003","8.725","0.003","11.441","0.004","90","","112.448","0.004","90","","836.9","0.5","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","rac-1-benzyl-3-bromo-4-[(4-bromophenyl)sulfanyl]-5-hydroxy-1,5-dihydro-2H-pyrrol-2-one","","- C17 H13 Br2 N O2 S -","- C17 H13 Br2 N O2 S -","- C34 H26 Br4 N2 O4 S2 -","2","1","","Lodochnikova, Olga A.; Zaripova, Aigul R.; Fayzullin, Robert R.; Samigullina, Aida I.; Vandyukova, Irina I.; Potapova, Lubov N.; Kurbangalieva, Almira R.","“Doubly enantiophobic” behavior during crystallization of racemic 1,5-dihydro-2H-pyrrol-2-one thioether","CrystEngComm","2018","20","23","3218","","10.1039/C8CE00369F","","x-ray","0.71073","MoKα","","0.0531","0.0455","","","0.1178","0.1224","","","","","","1.075","","","","has coordinates","229109","2020-10-21","18:00:00",""
"7230572","15.9888","0.0003","10.0556","0.0002","23.151","0.0006","90","","98.775","0.002","90","","3678.58","0.14","130","2","129.6","0.8","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C30 H36 Cd N6 O7 -","- C30 H36 Cd N6 O7 -","- C120 H144 Cd4 N24 O28 -","4","1","","Roztocki, Kornel; Lupa, Magdalena; Hodorowicz, Maciej; Senkovska, Irena; Kaskel, Stefan; Matoga, Dariusz","Bulky substituent and solvent-induced alternative nodes for layered Cd‒isophthalate/acylhydrazone frameworks","CrystEngComm","2018","20","20","2841","","10.1039/C8CE00269J","","x-ray","0.71073","MoKα","","0.0734","0.059","","","0.1426","0.152","","","","","","1.089","","","","has coordinates,has disorder","229043","2020-10-21","18:00:00",""
"7230573","10.215","0.0002","11.9013","0.0002","12.6419","0.0002","80.608","0.001","84.697","0.001","80.66","0.001","1492.76","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H33 Cd N5 O9 -","- C27 H33 Cd N5 O9 -","- C54 H66 Cd2 N10 O18 -","2","1","","Roztocki, Kornel; Lupa, Magdalena; Hodorowicz, Maciej; Senkovska, Irena; Kaskel, Stefan; Matoga, Dariusz","Bulky substituent and solvent-induced alternative nodes for layered Cd‒isophthalate/acylhydrazone frameworks","CrystEngComm","2018","20","20","2841","","10.1039/C8CE00269J","","","0.71073","MoKα","","0.027","0.0264","","","0.0695","0.0699","","","","","","1.075","","","","has coordinates","229043","2020-10-21","18:00:00",""
"7230574","9.3264","0.0002","10.388","0.0002","12.3659","0.0002","104.506","0.002","94.778","0.002","102.756","0.002","1118.97","0.04","130","2","130.05","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C46 H28 Cd2 N9 O12 -","- C46 H28 Cd2 N9 O12 -","- C46 H28 Cd2 N9 O12 -","1","0.5","","Roztocki, Kornel; Lupa, Magdalena; Hodorowicz, Maciej; Senkovska, Irena; Kaskel, Stefan; Matoga, Dariusz","Bulky substituent and solvent-induced alternative nodes for layered Cd‒isophthalate/acylhydrazone frameworks","CrystEngComm","2018","20","20","2841","","10.1039/C8CE00269J","","x-ray","0.71073","MoKα","","0.0425","0.0346","","","0.084","0.0894","","","","","","1.094","","","","has coordinates","229043","2020-10-21","18:00:00",""
"7230579","39.2679","0.0014","39.2679","0.0014","16.5666","0.0007","90","","90","","120","","22122.8","1.5","100","2","100","2","","","","","","","","4","P 6/m m m","-P 6 2","191","","NU1000","","- C88 H44 O32 Zr6 -","- C88 H44 O32 Zr6 -","- C264 H132 O96 Zr18 -","3","0.125","","Islamoglu, Timur; Otake, Ken-ichi; Li, Peng; Buru, Cassandra T.; Peters, Aaron W.; Akpinar, Isil; Garibay, Sergio J.; Farha, Omar K.","Revisiting the structural homogeneity of NU-1000, a Zr-based metal‒organic framework","CrystEngComm","2018","20","39","5913","","10.1039/C8CE00455B","","","1.54178","CuKα","","0.0722","0.0616","","","0.1614","0.1715","","","","","","1.033","","","","has coordinates","228980","2020-10-21","18:00:00",""
"7230584","8.151","0.007","14.06","0.012","16.644","0.013","97.54","0.03","93.66","0.03","102.91","0.03","1835","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H38 B Br N2 S -","- C41 H38 B Br N2 S -","- C82 H76 B2 Br2 N4 S2 -","2","1","","Arivazhagan, C.; Malakar, Partha; Jagan, R.; Prasad, Edamana; Ghosh, Sundargopal","Dimesitylboryl-functionalised cyanostilbene derivatives of phenothiazine: distinctive polymorphism-dependent emission and mechanofluorochromism","CrystEngComm","2018","20","23","3162","","10.1039/C8CE00250A","","","0.71073","MoKα","","0.1066","0.0511","","","0.1092","0.1298","","","","","","1.018","","","","has coordinates","229106","2020-10-21","18:00:00",""
"7230585","10.5728","0.0002","13.7128","0.0003","13.8757","0.0003","90","","108.542","0.001","90","","1907.31","0.07","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 Br N2 S -","- C23 H17 Br N2 S -","- C92 H68 Br4 N8 S4 -","4","1","","Arivazhagan, C.; Malakar, Partha; Jagan, R.; Prasad, Edamana; Ghosh, Sundargopal","Dimesitylboryl-functionalised cyanostilbene derivatives of phenothiazine: distinctive polymorphism-dependent emission and mechanofluorochromism","CrystEngComm","2018","20","23","3162","","10.1039/C8CE00250A","","","0.71073","MoKα","","0.0913","0.0505","","","0.1025","0.1335","","","","","","1.132","","","","has coordinates","229106","2020-10-21","18:00:00",""
"7230586","9.6323","0.0007","13.5037","0.0011","52.648","0.004","90","","93.701","0.002","90","","6833.7","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H38 B Br N2 S -","- C41 H38 B Br N2 S -","- C328 H304 B8 Br8 N16 S8 -","8","2","","Arivazhagan, C.; Malakar, Partha; Jagan, R.; Prasad, Edamana; Ghosh, Sundargopal","Dimesitylboryl-functionalised cyanostilbene derivatives of phenothiazine: distinctive polymorphism-dependent emission and mechanofluorochromism","CrystEngComm","2018","20","23","3162","","10.1039/C8CE00250A","","","0.71073","MoKα","","0.1186","0.0774","","","0.1302","0.1415","","","","","","1.132","","","","has coordinates","229106","2020-10-21","18:00:00",""
"7230587","11.4729","0.0005","14.603","0.0003","14.7655","0.0005","90","","91.92","0.003","90","","2472.4","0.15","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","DMAN 4-hydroxybenzoic acid 4-hydroxybenzoate","","- C28 H30 N2 O6 -","- C28 H30 N2 O6 -","- C112 H120 N8 O24 -","4","1","","Saunders, Lucy K.; Nowell, Harriott; Spencer, Helen C. E.; Hatcher, Lauren E.; Shepherd, Helena J.; Thomas, Lynne H.; Jones, Charlotte L.; Teat, Simon J.; Raithby, Paul R.; Wilson, Chick C.","Tuning charge-assisted and weak hydrogen bonds in molecular complexes of the proton sponge DMAN by acid co-former substitution","CrystEngComm","2018","20","22","3074","","10.1039/C8CE00443A","","","0.6889","synchrotron","","0.0697","0.0436","","","0.0968","0.1093","","","","","","1.04","","","","has coordinates","228899","2020-10-21","18:00:00",""
"7230588","21.6378","0.0004","9.1765","0.0001","18.3236","0.0003","90","","112.447","0.002","90","","3362.66","0.1","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","DMAN 4-cyanobenzoate 4-cyanobenzoic acid","","- C38 H33 N5 O6 -","- C38 H33 N5 O6 -","- C152 H132 N20 O24 -","4","1","","Saunders, Lucy K.; Nowell, Harriott; Spencer, Helen C. E.; Hatcher, Lauren E.; Shepherd, Helena J.; Thomas, Lynne H.; Jones, Charlotte L.; Teat, Simon J.; Raithby, Paul R.; Wilson, Chick C.","Tuning charge-assisted and weak hydrogen bonds in molecular complexes of the proton sponge DMAN by acid co-former substitution","CrystEngComm","2018","20","22","3074","","10.1039/C8CE00443A","","x-ray","1.54184","CuKα","","0.0487","0.0418","","","0.1117","0.1186","","","","","","1.019","","","","has coordinates","228899","2020-10-21","18:00:00",""
"7230589","9.8631","0.0004","21.3774","0.0009","12.5572","0.0005","90","","110.968","0.002","90","","2472.33","0.18","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","DMAN 3-aminobenzoic acid 3-aminobenzoate","","- C28 H32 N4 O4 -","- C28 H32 N4 O4 -","- C112 H128 N16 O16 -","4","1","","Saunders, Lucy K.; Nowell, Harriott; Spencer, Helen C. E.; Hatcher, Lauren E.; Shepherd, Helena J.; Thomas, Lynne H.; Jones, Charlotte L.; Teat, Simon J.; Raithby, Paul R.; Wilson, Chick C.","Tuning charge-assisted and weak hydrogen bonds in molecular complexes of the proton sponge DMAN by acid co-former substitution","CrystEngComm","2018","20","22","3074","","10.1039/C8CE00443A","","","0.8856","synchrotron","","0.0609","0.0445","","","0.1114","0.1215","","","","","","1.032","","","","has coordinates","228899","2020-10-21","18:00:00",""
"7230590","7.4488","0.0003","16.1665","0.0007","16.8622","0.0008","90","","99.229","0.002","90","","2004.28","0.15","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","DMAN 5-nitro-3-benzoate benzoic acid","","- C22 H23 N3 O6 -","- C22 H23 N3 O6 -","- C88 H92 N12 O24 -","4","1","","Saunders, Lucy K.; Nowell, Harriott; Spencer, Helen C. E.; Hatcher, Lauren E.; Shepherd, Helena J.; Thomas, Lynne H.; Jones, Charlotte L.; Teat, Simon J.; Raithby, Paul R.; Wilson, Chick C.","Tuning charge-assisted and weak hydrogen bonds in molecular complexes of the proton sponge DMAN by acid co-former substitution","CrystEngComm","2018","20","22","3074","","10.1039/C8CE00443A","","","0.8856","synchrotron","","0.0636","0.0455","","","0.1134","0.1232","","","","","","1.024","","","","has coordinates","228899","2020-10-21","18:00:00",""
"7230591","10.332","0.0004","18.3951","0.0007","10.3744","0.0004","90","","103.652","0.002","90","","1916.03","0.13","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","DMAN 2-nitrobenzoate","","- C21 H23 N3 O4 -","- C21 H23 N3 O4 -","- C84 H92 N12 O16 -","4","1","","Saunders, Lucy K.; Nowell, Harriott; Spencer, Helen C. E.; Hatcher, Lauren E.; Shepherd, Helena J.; Thomas, Lynne H.; Jones, Charlotte L.; Teat, Simon J.; Raithby, Paul R.; Wilson, Chick C.","Tuning charge-assisted and weak hydrogen bonds in molecular complexes of the proton sponge DMAN by acid co-former substitution","CrystEngComm","2018","20","22","3074","","10.1039/C8CE00443A","","","0.8856","synchrotron","","0.0713","0.0481","","","0.1147","0.1266","","","","","","1.026","","","","has coordinates","228899","2020-10-21","18:00:00",""
"7230592","13.3902","0.0006","17.4977","0.0007","19.3081","0.0009","85.639","0.004","70.634","0.004","69.986","0.004","4006.6","0.3","150","","150","","","","","","","","","4","P -1","-P 1","2","","DMAN 4-amino benzoic acid 4-aminobenzoate hydrate","","- C84 H104 N12 O16 -","- C84 H104 N12 O16 -","- C168 H208 N24 O32 -","2","1","","Saunders, Lucy K.; Nowell, Harriott; Spencer, Helen C. E.; Hatcher, Lauren E.; Shepherd, Helena J.; Thomas, Lynne H.; Jones, Charlotte L.; Teat, Simon J.; Raithby, Paul R.; Wilson, Chick C.","Tuning charge-assisted and weak hydrogen bonds in molecular complexes of the proton sponge DMAN by acid co-former substitution","CrystEngComm","2018","20","22","3074","","10.1039/C8CE00443A","","","0.71073","MoKα","","0.1953","0.0793","","","0.159","0.2161","","","","","","0.984","","","","has coordinates","228899","2020-10-21","18:00:00",""
"7230593","11.2829","0.0004","12.5029","0.0005","23.4257","0.001","90","","90.718","0.002","90","","3304.4","0.2","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","DMAN 2-cyanobenzoic acid 2-cyanobenzoate","","- C38 H33 N5 O6 -","- C38 H33 N5 O6 -","- C152 H132 N20 O24 -","4","1","","Saunders, Lucy K.; Nowell, Harriott; Spencer, Helen C. E.; Hatcher, Lauren E.; Shepherd, Helena J.; Thomas, Lynne H.; Jones, Charlotte L.; Teat, Simon J.; Raithby, Paul R.; Wilson, Chick C.","Tuning charge-assisted and weak hydrogen bonds in molecular complexes of the proton sponge DMAN by acid co-former substitution","CrystEngComm","2018","20","22","3074","","10.1039/C8CE00443A","","","0.8856","synchrotron","","0.0942","0.0474","","","0.0952","0.112","","","","","","1.006","","","","has coordinates","228899","2020-10-21","18:00:00",""
"7230594","14.6269","0.0004","18.1672","0.0005","20.9527","0.0006","93.416","0.002","104.461","0.003","107.5","0.003","5086.9","0.3","150","0.14","150","0.14","","","","","","","","4","P -1","-P 1","2","","DMAN 4-nitrobenzoic acid 4-nitrobenzoate","","- C35 H33 N5 O12 -","- C35 H33 N5 O12 -","- C210 H198 N30 O72 -","6","3","","Saunders, Lucy K.; Nowell, Harriott; Spencer, Helen C. E.; Hatcher, Lauren E.; Shepherd, Helena J.; Thomas, Lynne H.; Jones, Charlotte L.; Teat, Simon J.; Raithby, Paul R.; Wilson, Chick C.","Tuning charge-assisted and weak hydrogen bonds in molecular complexes of the proton sponge DMAN by acid co-former substitution","CrystEngComm","2018","20","22","3074","","10.1039/C8CE00443A","","x-ray","1.54184","CuKα","","0.0524","0.0396","","","0.0997","0.1083","","","","","","1.021","","","","has coordinates","228899","2020-10-21","18:00:00",""
"7230595","9.8917","0.0004","23.8954","0.0009","12.0958","0.0005","90","","112.04","0.002","90","","2650.1","0.19","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","DMAN 3-methoxy benzoic acid 3-methoxybenzoate","","- C30 H34 N2 O6 -","- C30 H34 N2 O6 -","- C120 H136 N8 O24 -","4","1","","Saunders, Lucy K.; Nowell, Harriott; Spencer, Helen C. E.; Hatcher, Lauren E.; Shepherd, Helena J.; Thomas, Lynne H.; Jones, Charlotte L.; Teat, Simon J.; Raithby, Paul R.; Wilson, Chick C.","Tuning charge-assisted and weak hydrogen bonds in molecular complexes of the proton sponge DMAN by acid co-former substitution","CrystEngComm","2018","20","22","3074","","10.1039/C8CE00443A","","","0.8856","synchrotron","","0.0803","0.045","","","0.09","0.1022","","","","","","1.025","","","","has coordinates","228899","2020-10-21","18:00:00",""
"7230603","4.5576","0.0001","16.2048","0.0004","14.0456","0.0003","90","","95.241","0.002","90","","1033","0.04","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H8 Dy N O7 -","- C8 H8 Dy N O7 -","- C32 H32 Dy4 N4 O28 -","4","1","","Yu, Qi; Dong, Hong; Zhang, Xin; Zhu, Ya-Xin; Wang, Jian-Hui; Zhang, Feng-Ming; Sun, Xiao-Jun","Novel stable metal‒organic framework photocatalyst for light-driven hydrogen production","CrystEngComm","2018","20","23","3228","","10.1039/C8CE00386F","","","0.71073","MoKα","","0.0276","0.0214","","","0.0447","0.0467","","","","","","1.035","","","","has coordinates","229102","2020-10-21","18:00:00",""
"7230604","14.3715","0.0011","14.3715","0.0011","19.721","0.002","90","","90","","90","","4073.2","0.6","296","2","296","2","","","","","","","","5","P 42/m b c","-P 4c 2ab","135","","","","- C10 H6 N20 O2 Zn3 -","- C10 H6 N20 O2 Zn3 -","- C80 H48 N160 O16 Zn24 -","8","0.5","","Liu, Chuanfang; Zhao, Nian; Zou, Xiaoqin; Zhu, Guangshan","Synthesis of an ultra-stable metal‒organic framework for proton conduction","CrystEngComm","2018","20","23","3158","","10.1039/C8CE00564H","","","0.71073","MoKα","","0.0465","0.0307","","","0.0772","0.0862","","","","","","0.908","","","","has coordinates","229108","2020-10-21","18:00:00",""
"7230605","4.8211","0.0014","9.065","0.003","12.47","0.004","74.963","0.006","88.26","0.006","89.779","0.006","526.1","0.3","298","2","298","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H18 N6 O8 -","- C22 H18 N6 O8 -","- C22 H18 N6 O8 -","1","0.5","","Kumar, Vineet; Goswami, Pramod Kumar; Thaimattam, Ram; Ramanan, Arunachalam","Multicomponent solids of uracil derivatives ‒ orotic and isoorotic acids","CrystEngComm","2018","20","25","3490","","10.1039/C8CE00486B","","","0.71073","MoKα","","0.1169","0.0863","","","0.1747","0.1891","","","","","","1.199","","","","has coordinates","229033","2020-10-21","18:00:00",""
"7230606","7.646","0.002","12.279","0.004","11.421","0.004","90","","90.411","0.006","90","","1072.2","0.6","298","2","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 N6 O8 -","- C22 H20 N6 O8 -","- C44 H40 N12 O16 -","2","0.5","","Kumar, Vineet; Goswami, Pramod Kumar; Thaimattam, Ram; Ramanan, Arunachalam","Multicomponent solids of uracil derivatives ‒ orotic and isoorotic acids","CrystEngComm","2018","20","25","3490","","10.1039/C8CE00486B","","","0.71073","MoKα","","0.1136","0.0983","","","0.1818","0.1882","","","","","","1.342","","","","has coordinates","229033","2020-10-21","18:00:00",""
"7230607","6.573","0.003","7.531","0.004","17.511","0.008","87.416","0.009","88.657","0.009","75.143","0.009","836.9","0.7","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H18 N4 O4 -","- C18 H18 N4 O4 -","- C36 H36 N8 O8 -","2","1","","Kumar, Vineet; Goswami, Pramod Kumar; Thaimattam, Ram; Ramanan, Arunachalam","Multicomponent solids of uracil derivatives ‒ orotic and isoorotic acids","CrystEngComm","2018","20","25","3490","","10.1039/C8CE00486B","","","0.71073","MoKα","","0.1547","0.0644","","","0.1229","0.1507","","","","","","0.917","","","","has coordinates","229033","2020-10-21","18:00:00",""
"7230608","12.528","0.009","6.992","0.005","13.266","0.008","90","","113.8","0.02","90","","1063.2","1.3","100","2","100.01","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 N6 O8 -","- C22 H18 N6 O8 -","- C44 H36 N12 O16 -","2","0.5","","Kumar, Vineet; Goswami, Pramod Kumar; Thaimattam, Ram; Ramanan, Arunachalam","Multicomponent solids of uracil derivatives ‒ orotic and isoorotic acids","CrystEngComm","2018","20","25","3490","","10.1039/C8CE00486B","","","0.71073","MoKα","","0.0457","0.0409","","","0.1146","0.1197","","","","","","1.042","","","","has coordinates","229033","2020-10-21","18:00:00",""
"7230609","29.689","0.007","44.694","0.011","4.888","0.0012","90","","90","","90","","6486","3","298","2","298","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C17 H16 N4 O4 -","- C17 H16 N4 O4 -","- C272 H256 N64 O64 -","16","1","","Kumar, Vineet; Goswami, Pramod Kumar; Thaimattam, Ram; Ramanan, Arunachalam","Multicomponent solids of uracil derivatives ‒ orotic and isoorotic acids","CrystEngComm","2018","20","25","3490","","10.1039/C8CE00486B","","","0.71073","MoKα","","0.0603","0.0557","","","0.1169","0.119","","","","","","1.2","","","","has coordinates","229033","2020-10-21","18:00:00",""
"7230610","6.988","0.004","17.855","0.01","11.428","0.006","90","","103.035","0.011","90","","1389.1","1.3","298","2","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 N4 O7 -","- C10 H16 N4 O7 -","- C40 H64 N16 O28 -","4","1","","Kumar, Vineet; Goswami, Pramod Kumar; Thaimattam, Ram; Ramanan, Arunachalam","Multicomponent solids of uracil derivatives ‒ orotic and isoorotic acids","CrystEngComm","2018","20","25","3490","","10.1039/C8CE00486B","","","0.71073","MoKα","","0.1174","0.0537","","","0.1168","0.1409","","","","","","0.955","","","","has coordinates","229033","2020-10-21","18:00:00",""
"7230611","7.0875","0.0008","11.9657","0.0013","24.919","0.003","90","","90","","90","","2113.3","0.4","298","2","298","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H10 N4 O4 -","- C10 H10 N4 O4 -","- C80 H80 N32 O32 -","8","1","","Kumar, Vineet; Goswami, Pramod Kumar; Thaimattam, Ram; Ramanan, Arunachalam","Multicomponent solids of uracil derivatives ‒ orotic and isoorotic acids","CrystEngComm","2018","20","25","3490","","10.1039/C8CE00486B","","","0.71073","MoKα","","0.0819","0.0809","","","0.1523","0.1528","","","","","","1.358","","","","has coordinates","229033","2020-10-21","18:00:00",""
"7230612","34.001","0.005","8.9797","0.0014","8.97","0.0014","90","","90","","90","","2738.7","0.7","298","2","298","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C23 H26 N6 O10 -","- C23 H26 N6 O10 -","- C92 H104 N24 O40 -","4","1","","Kumar, Vineet; Goswami, Pramod Kumar; Thaimattam, Ram; Ramanan, Arunachalam","Multicomponent solids of uracil derivatives ‒ orotic and isoorotic acids","CrystEngComm","2018","20","25","3490","","10.1039/C8CE00486B","","","0.71073","MoKα","","0.1143","0.0902","","","0.2626","0.2823","","","","","","1.07","","","","has coordinates","229033","2020-10-21","18:00:00",""
"7230613","8.705","0.002","10.392","0.003","10.914","0.003","65.633","0.004","76.026","0.005","70.452","0.004","841.3","0.4","298","2","298","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H14 N6 O8 -","- C15 H14 N6 O8 -","- C30 H28 N12 O16 -","2","1","","Kumar, Vineet; Goswami, Pramod Kumar; Thaimattam, Ram; Ramanan, Arunachalam","Multicomponent solids of uracil derivatives ‒ orotic and isoorotic acids","CrystEngComm","2018","20","25","3490","","10.1039/C8CE00486B","","","0.71073","MoKα","","0.1454","0.0795","","","0.1479","0.1734","","","","","","1.075","","","","has coordinates","229033","2020-10-21","18:00:00",""
"7230614","12.194","0.002","5.1402","0.001","17.488","0.003","90","","99.377","0.003","90","","1081.5","0.3","298","2","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 N4 O4 -","- C10 H10 N4 O4 -","- C40 H40 N16 O16 -","4","1","","Kumar, Vineet; Goswami, Pramod Kumar; Thaimattam, Ram; Ramanan, Arunachalam","Multicomponent solids of uracil derivatives ‒ orotic and isoorotic acids","CrystEngComm","2018","20","25","3490","","10.1039/C8CE00486B","","","0.71073","MoKα","","0.1667","0.0806","","","0.153","0.1825","","","","","","1.01","","","","has coordinates","229033","2020-10-21","18:00:00",""
"7230615","10.3869","0.0003","15.4759","0.0003","11.2824","0.0003","90","","105.723","0.003","90","","1745.75","0.08","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 Cl N O2 S -","- C18 H24 Cl N O2 S -","- C72 H96 Cl4 N4 O8 S4 -","4","1","","Voronin, Alexander P.; Volkova, Tatiana V.; Ilyukhin, Andrey B.; Trofimova, Tatiana P.; Perlovich, German L.","Structural and energetic aspects of adamantane and memantine derivatives of sulfonamide molecular crystals: experimental and theoretical characterisation","CrystEngComm","2018","20","25","3476","","10.1039/C8CE00426A","","","0.71073","MoKα","","0.0498","0.037","","","0.0845","0.0912","","","","","","1.044","","","","has coordinates","229037","2020-10-21","18:00:00",""
"7230616","11.0548","0.0008","6.4659","0.0004","21.654","0.0014","90","","102.382","0.002","90","","1511.81","0.17","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 Br N O2 S -","- C16 H20 Br N O2 S -","- C64 H80 Br4 N4 O8 S4 -","4","1","","Voronin, Alexander P.; Volkova, Tatiana V.; Ilyukhin, Andrey B.; Trofimova, Tatiana P.; Perlovich, German L.","Structural and energetic aspects of adamantane and memantine derivatives of sulfonamide molecular crystals: experimental and theoretical characterisation","CrystEngComm","2018","20","25","3476","","10.1039/C8CE00426A","","","0.71073","MoKα","","0.0599","0.0368","","","0.0869","0.0968","","","","","","0.994","","","","has coordinates","229037","2020-10-21","18:00:00",""
"7230617","10.7288","0.0004","15.5406","0.0006","11.6218","0.0005","90","","106.454","0.001","90","","1858.37","0.13","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 F3 N O2 S -","- C19 H24 F3 N O2 S -","- C76 H96 F12 N4 O8 S4 -","4","1","","Voronin, Alexander P.; Volkova, Tatiana V.; Ilyukhin, Andrey B.; Trofimova, Tatiana P.; Perlovich, German L.","Structural and energetic aspects of adamantane and memantine derivatives of sulfonamide molecular crystals: experimental and theoretical characterisation","CrystEngComm","2018","20","25","3476","","10.1039/C8CE00426A","","","0.71073","MoKα","","0.0576","0.0473","","","0.1349","0.1436","","","","","","1.124","","","","has coordinates","229037","2020-10-21","18:00:00",""
"7230618","10.5834","0.0003","15.2084","0.0005","11.6137","0.0003","90","","107.101","0.001","90","","1786.66","0.09","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 N2 O4 S -","- C18 H24 N2 O4 S -","- C72 H96 N8 O16 S4 -","4","1","","Voronin, Alexander P.; Volkova, Tatiana V.; Ilyukhin, Andrey B.; Trofimova, Tatiana P.; Perlovich, German L.","Structural and energetic aspects of adamantane and memantine derivatives of sulfonamide molecular crystals: experimental and theoretical characterisation","CrystEngComm","2018","20","25","3476","","10.1039/C8CE00426A","","","0.71073","MoKα","","0.0484","0.0394","","","0.1085","0.115","","","","","","1.018","","","","has coordinates","229037","2020-10-21","18:00:00",""
"7230619","29.081","0.002","6.8576","0.0006","19.1376","0.0016","90","","123.701","0.002","90","","3175.1","0.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H20 F3 N O2 S -","- C17 H20 F3 N O2 S -","- C136 H160 F24 N8 O16 S8 -","8","1","","Voronin, Alexander P.; Volkova, Tatiana V.; Ilyukhin, Andrey B.; Trofimova, Tatiana P.; Perlovich, German L.","Structural and energetic aspects of adamantane and memantine derivatives of sulfonamide molecular crystals: experimental and theoretical characterisation","CrystEngComm","2018","20","25","3476","","10.1039/C8CE00426A","","","0.71073","MoKα","","0.0852","0.0687","","","0.1774","0.1875","","","","","","1.277","","","","has coordinates","229037","2020-10-21","18:00:00",""
"7230620","10.5014","0.0003","15.4718","0.0004","11.3326","0.0003","90","","106.42","0.003","90","","1766.17","0.09","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 Br N O2 S -","- C18 H24 Br N O2 S -","- C72 H96 Br4 N4 O8 S4 -","4","1","","Voronin, Alexander P.; Volkova, Tatiana V.; Ilyukhin, Andrey B.; Trofimova, Tatiana P.; Perlovich, German L.","Structural and energetic aspects of adamantane and memantine derivatives of sulfonamide molecular crystals: experimental and theoretical characterisation","CrystEngComm","2018","20","25","3476","","10.1039/C8CE00426A","","","0.71073","MoKα","","0.0619","0.0366","","","0.0781","0.0876","","","","","","0.998","","","","has coordinates","229037","2020-10-21","18:00:00",""
"7230621","11.0672","0.0008","6.4621","0.0005","21.5494","0.0016","90","","103.132","0.002","90","","1500.85","0.19","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 N2 O4 S -","- C16 H20 N2 O4 S -","- C64 H80 N8 O16 S4 -","4","1","","Voronin, Alexander P.; Volkova, Tatiana V.; Ilyukhin, Andrey B.; Trofimova, Tatiana P.; Perlovich, German L.","Structural and energetic aspects of adamantane and memantine derivatives of sulfonamide molecular crystals: experimental and theoretical characterisation","CrystEngComm","2018","20","25","3476","","10.1039/C8CE00426A","","","0.71073","MoKα","","0.063","0.0437","","","0.0984","0.1071","","","","","","1","","","","has coordinates","229037","2020-10-21","18:00:00",""
"7230622","9.8939","0.0014","18.898","0.003","16.637","0.002","90","","96.438","0.004","90","","3091.1","0.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 Cu F12 N3 O5 -","- C25 H24 Cu F12 N3 O5 -","- C100 H96 Cu4 F48 N12 O20 -","4","1","","Gao, Yan-Li; Nishihara, Sadafumi; Inoue, Katsuya","Synthesis, crystal structures and magnetic properties of six coordination compounds constructed with pyridine iminomethyl‒TEMPO radicals and [M(hfac)2] (M = CuII and MnII)","CrystEngComm","2018","20","21","2961","","10.1039/C8CE00061A","","","0.71073","MoKα","","0.0616","0.0465","","","0.1243","0.1391","","","","","","1.03","","","","has coordinates,has disorder","229114","2020-10-21","18:00:00",""
"7230623","18.4213","0.0008","18.1732","0.0008","19.0497","0.0008","90","","90","","90","","6377.3","0.5","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H24 F12 Mn N3 O5 -","- C25 H24 F12 Mn N3 O5 -","- C200 H192 F96 Mn8 N24 O40 -","8","1","","Gao, Yan-Li; Nishihara, Sadafumi; Inoue, Katsuya","Synthesis, crystal structures and magnetic properties of six coordination compounds constructed with pyridine iminomethyl‒TEMPO radicals and [M(hfac)2] (M = CuII and MnII)","CrystEngComm","2018","20","21","2961","","10.1039/C8CE00061A","","","0.71073","MoKα","","0.1044","0.074","","","0.2124","0.2461","","","","","","1.036","","","","has coordinates,has disorder","229114","2020-10-21","18:00:00",""
"7230624","9.8814","0.0007","14.4685","0.0011","23.2516","0.0017","90","","100.481","0.002","90","","3268.8","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 F12 Mn N3 O5 -","- C25 H24 F12 Mn N3 O5 -","- C100 H96 F48 Mn4 N12 O20 -","4","1","","Gao, Yan-Li; Nishihara, Sadafumi; Inoue, Katsuya","Synthesis, crystal structures and magnetic properties of six coordination compounds constructed with pyridine iminomethyl‒TEMPO radicals and [M(hfac)2] (M = CuII and MnII)","CrystEngComm","2018","20","21","2961","","10.1039/C8CE00061A","","","0.71073","MoKα","","0.0792","0.0618","","","0.1801","0.196","","","","","","1.052","","","","has coordinates","229114","2020-10-21","18:00:00",""
"7230625","16.6043","0.0006","26.0628","0.0011","10.8332","0.0005","90","","90","","90","","4688.1","0.3","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C40 H46 F12 Mn N6 O6 -","- C40 H46 F12 Mn N6 O6 -","- C160 H184 F48 Mn4 N24 O24 -","4","0.5","","Gao, Yan-Li; Nishihara, Sadafumi; Inoue, Katsuya","Synthesis, crystal structures and magnetic properties of six coordination compounds constructed with pyridine iminomethyl‒TEMPO radicals and [M(hfac)2] (M = CuII and MnII)","CrystEngComm","2018","20","21","2961","","10.1039/C8CE00061A","","","0.71073","MoKα","","0.1058","0.0876","","","0.2445","0.265","","","","","","1.061","","","","has coordinates,has disorder","229114","2020-10-21","18:00:00",""
"7230626","16.3979","0.0007","25.7808","0.0011","10.7851","0.0004","90","","90","","90","","4559.4","0.3","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C20 H23 Cu0.5 F6 N3 O3 -","- C20 H23 Cu0.5 F6 N3 O3 -","- C160 H184 Cu4 F48 N24 O24 -","8","1","","Gao, Yan-Li; Nishihara, Sadafumi; Inoue, Katsuya","Synthesis, crystal structures and magnetic properties of six coordination compounds constructed with pyridine iminomethyl‒TEMPO radicals and [M(hfac)2] (M = CuII and MnII)","CrystEngComm","2018","20","21","2961","","10.1039/C8CE00061A","","","0.71073","MoKα","","0.1091","0.0965","","","0.2659","0.2823","","","","","","1.034","","","","has coordinates,has disorder","229114","2020-10-21","18:00:00",""
"7230627","9.5751","0.0004","32.409","0.0013","10.9213","0.0005","90","","106.865","0.0013","90","","3243.3","0.2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H24 Cu F12 N3 O5 -","- C25 H24 Cu F12 N3 O5 -","- C100 H96 Cu4 F48 N12 O20 -","4","1","","Gao, Yan-Li; Nishihara, Sadafumi; Inoue, Katsuya","Synthesis, crystal structures and magnetic properties of six coordination compounds constructed with pyridine iminomethyl‒TEMPO radicals and [M(hfac)2] (M = CuII and MnII)","CrystEngComm","2018","20","21","2961","","10.1039/C8CE00061A","","","0.71073","MoKα","","0.0809","0.0527","","","0.1293","0.1416","","","","","","1.044","","","","has coordinates","229114","2020-10-21","18:00:00",""
"7230630","6.5213","0.0002","5.3508","0.0001","8.8186","0.0002","90","","106.896","0.001","90","","294.435","0.013","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C6 F4 O2 -","- C6 F4 O2 -","- C12 F8 O4 -","2","0.5","","Shukla, Rahul; Chopra, Deepak","Characterization of the short OC⋯OC π-hole tetrel bond in the solid state","CrystEngComm","2018","20","24","3308","","10.1039/C8CE00697K","","","0.71073","MoKα","","0.0434","0.0283","","","0.0634","0.069","","","","","","1.273","","","","has coordinates","228891","2020-10-21","18:00:00",""
"7230631","8.5371","0.0007","5.6623","0.0004","8.6712","0.0007","90","","105.946","0.004","90","","403.03","0.06","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C6 Cl4 O2 -","- C6 Cl4 O2 -","- C12 Cl8 O4 -","2","0.5","","Shukla, Rahul; Chopra, Deepak","Characterization of the short OC⋯OC π-hole tetrel bond in the solid state","CrystEngComm","2018","20","24","3308","","10.1039/C8CE00697K","","","0.71073","MoKα","","0.0382","0.034","","","0.0891","0.0919","","","","","","1.057","","","","has coordinates","228891","2020-10-21","18:00:00",""
"7230640","12.8955","0.0003","19.5738","0.0005","13.0841","0.0003","90","","101.983","0.0011","90","","3230.64","0.13","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H35 N O2 -","- C44 H35 N O2 -","- C176 H140 N4 O8 -","4","1","","Pike, Sarah J.; Bond, Andrew D.; Hunter, Christopher A.","Solvatomorphism of Reichardt's dye","CrystEngComm","2018","20","21","2912","","10.1039/C8CE00480C","","","1.54178","CuKα","","0.0443","0.04","","","0.0988","0.1023","","","","","","1.026","","","","has coordinates","229113","2020-10-21","18:00:00",""
"7230641","29.189","0.0006","29.189","0.0006","23.3065","0.0005","90","","90","","120","","17196.7","0.6","180","2","180","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C47.4 H45 N O2.6 -","- C41 H29 N O -","- C738 H522 N18 O18 -","18","0.5","","Pike, Sarah J.; Bond, Andrew D.; Hunter, Christopher A.","Solvatomorphism of Reichardt's dye","CrystEngComm","2018","20","21","2912","","10.1039/C8CE00480C","","","1.54178","CuKα","","0.0856","0.0536","","","0.1349","0.1569","","","","","","1.025","","","","has coordinates","229113","2020-10-21","18:00:00",""
"7230642","29.3589","0.0006","29.3589","0.0006","23.3712","0.0005","90","","90","","120","","17445.8","0.6","180","2","180","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C47 H44 N O2.5 -","- C41 H29 N O -","- C738 H522 N18 O18 -","18","0.5","","Pike, Sarah J.; Bond, Andrew D.; Hunter, Christopher A.","Solvatomorphism of Reichardt's dye","CrystEngComm","2018","20","21","2912","","10.1039/C8CE00480C","","","1.54178","CuKα","","0.0495","0.041","","","0.1049","0.1116","","","","","","1.057","","","","has coordinates","229113","2020-10-21","18:00:00",""
"7230643","29.1831","0.0006","29.1831","0.0006","23.3144","0.0005","90","","90","","120","","17195.6","0.6","180","2","180","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C43 H34 N O1.5 -","- C41 H29 N O -","- C738 H522 N18 O18 -","18","0.5","","Pike, Sarah J.; Bond, Andrew D.; Hunter, Christopher A.","Solvatomorphism of Reichardt's dye","CrystEngComm","2018","20","21","2912","","10.1039/C8CE00480C","","","1.54178","CuKα","","0.0566","0.0487","","","0.136","0.1465","","","","","","1.052","","","","has coordinates","229113","2020-10-21","18:00:00",""
"7230644","29.2539","0.0011","29.2539","0.0011","23.3293","0.0009","90","","90","","120","","17290.2","1.1","180","2","180","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C46.6 H40.2 N O3.8 -","- C41 H29 N O -","- C738 H522 N18 O18 -","18","0.5","","Pike, Sarah J.; Bond, Andrew D.; Hunter, Christopher A.","Solvatomorphism of Reichardt's dye","CrystEngComm","2018","20","21","2912","","10.1039/C8CE00480C","","","1.54178","CuKα","","0.0518","0.0397","","","0.106","0.1164","","","","","","1.037","","","","has coordinates","229113","2020-10-21","18:00:00",""
"7230645","17.319","0.0005","19.9637","0.0007","21.9686","0.0008","100.294","0.0018","91.2541","0.0016","115.382","0.0015","6710.4","0.4","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C41.62 H32.12 Cl1.88 N O2.25 -","- C41.625 H32.125 Cl1.875 N O2.25 -","- C333 H257 Cl15 N8 O18 -","8","4","","Pike, Sarah J.; Bond, Andrew D.; Hunter, Christopher A.","Solvatomorphism of Reichardt's dye","CrystEngComm","2018","20","21","2912","","10.1039/C8CE00480C","","","1.54178","CuKα","","0.0944","0.0725","","","0.1867","0.2039","","","","","","1.025","","","","has coordinates","229113","2020-10-21","18:00:00",""
"7230646","25.6756","0.0007","19.1467","0.0005","16.3667","0.0004","90","","107.328","0.002","90","","7680.8","0.4","180","2","180","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C49 H45 N O5 -","- C49 H45 N O5 -","- C392 H360 N8 O40 -","8","1","","Pike, Sarah J.; Bond, Andrew D.; Hunter, Christopher A.","Solvatomorphism of Reichardt's dye","CrystEngComm","2018","20","21","2912","","10.1039/C8CE00480C","","","1.54178","CuKα","","0.0728","0.0466","","","0.1067","0.1217","","","","","","1.031","","","","has coordinates,has disorder","229113","2020-10-21","18:00:00",""
"7230647","16.9431","0.0004","20.0249","0.0004","23.9395","0.0005","101.674","0.002","105.876","0.002","118.124","0.005","6342.9","0.5","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H33 N O3 -","- C41 H29 N O3 -","- C328 H232 N8 O24 -","8","4","","Pike, Sarah J.; Bond, Andrew D.; Hunter, Christopher A.","Solvatomorphism of Reichardt's dye","CrystEngComm","2018","20","21","2912","","10.1039/C8CE00480C","","","1.54178","CuKα","","0.1706","0.0864","","","0.1968","0.242","","","","","","1.023","","","","has coordinates","229113","2020-10-21","18:00:00",""
"7230648","12.5928","0.0004","18.407","0.0006","15.0348","0.0005","90","","91.3592","0.0014","90","","3484","0.2","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C47 H34 Cl N O -","- C47 H34 Cl N O -","- C188 H136 Cl4 N4 O4 -","4","1","","Pike, Sarah J.; Bond, Andrew D.; Hunter, Christopher A.","Solvatomorphism of Reichardt's dye","CrystEngComm","2018","20","21","2912","","10.1039/C8CE00480C","","","1.54178","CuKα","","0.0482","0.0424","","","0.1044","0.1094","","","","","","1.054","","","","has coordinates","229113","2020-10-21","18:00:00",""
"7230649","12.3371","0.0004","11.2929","0.0004","24.658","0.0007","90","","102.265","0.002","90","","3356.98","0.19","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H38 N O4 -","- C44 H38 N O4 -","- C176 H152 N4 O16 -","4","1","","Pike, Sarah J.; Bond, Andrew D.; Hunter, Christopher A.","Solvatomorphism of Reichardt's dye","CrystEngComm","2018","20","21","2912","","10.1039/C8CE00480C","","","1.54178","CuKα","","0.0662","0.0479","","","0.1116","0.1227","","","","","","1.037","","","","has coordinates,has disorder","229113","2020-10-21","18:00:00",""
"7230650","29.2009","0.0005","29.2009","0.0005","23.3366","0.0004","90","","90","","120","","17233","0.5","180","2","180","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C46.6 H43 N O2.4 -","- C41 H29 N O -","- C738 H522 N18 O18 -","18","0.5","","Pike, Sarah J.; Bond, Andrew D.; Hunter, Christopher A.","Solvatomorphism of Reichardt's dye","CrystEngComm","2018","20","21","2912","","10.1039/C8CE00480C","","","1.54178","CuKα","","0.0569","0.0398","","","0.1036","0.1154","","","","","","1.036","","","","has coordinates","229113","2020-10-21","18:00:00",""
"7230651","12.3591","0.0003","18.2217","0.0005","15.0443","0.0004","90","","91.6057","0.0011","90","","3386.7","0.15","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C49 H39 N O2 -","- C41 H29 N O -","- C164 H116 N4 O4 -","4","1","","Pike, Sarah J.; Bond, Andrew D.; Hunter, Christopher A.","Solvatomorphism of Reichardt's dye","CrystEngComm","2018","20","21","2912","","10.1039/C8CE00480C","","","1.54178","CuKα","","0.0418","0.0387","","","0.1108","0.1139","","","","","","1.079","","","","has coordinates","229113","2020-10-21","18:00:00",""
"7230652","23.5606","0.00019","23.5606","0.00019","6.92267","0.00008","90","","90","","90","","3842.79","0.06","123","2","123","2","","","","","","","","5","P 42/n","-P 4bc","86","","","","- C18 H16 I K N6 -","- C18 H16 I K N6 -","- C144 H128 I8 K8 N48 -","8","","","Bulatova, Margarita; Tatikonda, Rajendhraprasad; Hirva, Pipsa; Bulatov, Evgeny; Sievänen, Elina; Haukka, Matti","Controlling the crystal growth of potassium iodide with 1,1´-bis(pyridin-4-ylmethyl)-2,2´-biimidazole ligand (L) - formation of linear [K4I4L4]n polymer with cubic [K4I4] core units","CrystEngComm","2018","","","","","10.1039/C8CE00483H","","","1.54184","CuKα","","0.0288","0.0262","","","0.067","0.0695","","","","","","1.059","","","","has coordinates","207810","2020-10-21","18:00:00",""
"7230653","13.501","0.003","11.13","0.002","34.928","0.007","90","","90","","90","","5248.5","1.8","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C42 H34 Cd3 N3 O23 P3 -","- C42 H34 Cd3 N3 O23 P3 -","- C168 H136 Cd12 N12 O92 P12 -","4","1","","Chen, Xi; Dong, Hong-Xia; Peng, Hua-Nan; Hong, Li-Ming; Luo, Dan; Zhuang, Gui-Lin; Ye, Qing","Three Cd(ii) coordination polymers constructed from a series of multidentate ligands derived from cyclotriphosphazene: synthesis, structures and luminescence properties","CrystEngComm","2018","20","25","3535","","10.1039/C8CE00537K","","","0.71073","MoKα","","0.0779","0.0723","","","0.1917","0.197","","","","","","1.042","","","","has coordinates","229036","2020-10-21","18:00:00",""
"7230654","12.9528","0.0007","13.5426","0.0007","16.4426","0.0008","108.031","0.004","91.067","0.004","113.829","0.005","2474.4","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H32 Cd2 N27 O9 P3 -","- C42 H32 Cd2 N27 O9 P3 -","- C84 H64 Cd4 N54 O18 P6 -","2","1","","Chen, Xi; Dong, Hong-Xia; Peng, Hua-Nan; Hong, Li-Ming; Luo, Dan; Zhuang, Gui-Lin; Ye, Qing","Three Cd(ii) coordination polymers constructed from a series of multidentate ligands derived from cyclotriphosphazene: synthesis, structures and luminescence properties","CrystEngComm","2018","20","25","3535","","10.1039/C8CE00537K","","","1.54178","CuKα","","0.0654","0.0596","","","0.1683","0.176","","","","","","1.055","","","","has coordinates","229036","2020-10-21","18:00:00",""
"7230655","14.0264","0.0004","14.5761","0.0004","23.3971","0.0007","77.744","0.003","80.417","0.002","89.739","0.002","4606.9","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H64 Cd4 N6 O44 P6 -","- C84 H64 Cd4 N6 O44 P6 -","- C168 H128 Cd8 N12 O88 P12 -","2","1","","Chen, Xi; Dong, Hong-Xia; Peng, Hua-Nan; Hong, Li-Ming; Luo, Dan; Zhuang, Gui-Lin; Ye, Qing","Three Cd(ii) coordination polymers constructed from a series of multidentate ligands derived from cyclotriphosphazene: synthesis, structures and luminescence properties","CrystEngComm","2018","20","25","3535","","10.1039/C8CE00537K","","x-ray","0.71073","MoKα","","0.0661","0.0447","","","0.1016","0.1176","","","","","","1.086","","","","has coordinates","229036","2020-10-21","18:00:00",""
"7230656","41.74","0.004","41.74","0.004","9.9584","0.0014","90","","90","","120","","15025","3","203","","203","2","","","","","","","","5","R -3","-R 3","148","","","","- C16 H13 N O4 Zn -","- C16 H13 N O4 Zn -","- C288 H234 N18 O72 Zn18 -","18","","","Huang, Ning-Yu; Mo, Zong-Wen; Li, Lu-Jian; Xu, Wei-Jian; Zhou, Hao-Long; Zhou, Dong-Dong; Liao, Pei-Qin; Zhang, Jie-Peng; Chen, Xiao-Ming","Direct synthesis of an aliphatic amine functionalized metal-organic framework for efficient CO2 removal and CH4 purification","CrystEngComm","2018","","","","","10.1039/C8CE00574E","","","1.54178","CuKα","","0.0419","0.0411","","","0.1282","0.1292","","","","","","1.098","","","","has coordinates","207823","2020-10-21","18:00:00",""
"7230657","42.4897","0.0008","42.4897","0.0008","10.4","0.0004","90","","90","","120","","16260.4","0.8","203","2","203","","","","","","","","","5","R -3","-R 3","148","","","","- C48 H39 N3 O12 Zn3 -","- C48 H39 N3 O12 Zn3 -","- C432 H351 N27 O108 Zn27 -","9","","","Huang, Ning-Yu; Mo, Zong-Wen; Li, Lu-Jian; Xu, Wei-Jian; Zhou, Hao-Long; Zhou, Dong-Dong; Liao, Pei-Qin; Zhang, Jie-Peng; Chen, Xiao-Ming","Direct synthesis of an aliphatic amine functionalized metal-organic framework for efficient CO2 removal and CH4 purification","CrystEngComm","2018","","","","","10.1039/C8CE00574E","","","1.54178","CuKα","","0.0708","0.0608","","","0.203","0.214","","","","","","1.09","","","","has coordinates,has disorder","207823","2020-10-21","18:00:00",""
"7230658","13.743","0.003","14.342","0.003","19.671","0.004","83.758","0.004","74.388","0.003","80.079","0.004","3670.4","1.3","195","2","195","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H85 Eu2 N5 O23 S6 -","- C50 H62 Eu2 N4 O16 S6 -","- C100 H124 Eu4 N8 O32 S12 -","2","1","","Dou, Ai-Na; Yang, Li-Bo; Fang, Xiao-Dan; Yin, Qi; Li, Mao-Dong; Li, Ju; Wang, Mei-Yan; Zhu, Ai-Xin; Xu, Quan-Qing","Two luminescent lanthanide‒organic frameworks containing bithiophene groups for the selective detection of nitrobenzene and Fe3+","CrystEngComm","2018","20","25","3609","","10.1039/C8CE00530C","","","0.71073","MoKα","","0.0709","0.044","","","0.1084","0.1197","","","","","","0.935","","","","has coordinates,has disorder","229034","2020-10-21","18:00:00",""
"7230659","13.771","0.003","14.495","0.003","19.74","0.004","84.67","0.03","73.52","0.03","81.47","0.03","3731.3","1.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H85 N5 O23 S6 Tb2 -","- C50 H60 N4 O16 S6 Tb2 -","- C100 H120 N8 O32 S12 Tb4 -","2","1","","Dou, Ai-Na; Yang, Li-Bo; Fang, Xiao-Dan; Yin, Qi; Li, Mao-Dong; Li, Ju; Wang, Mei-Yan; Zhu, Ai-Xin; Xu, Quan-Qing","Two luminescent lanthanide‒organic frameworks containing bithiophene groups for the selective detection of nitrobenzene and Fe3+","CrystEngComm","2018","20","25","3609","","10.1039/C8CE00530C","","","0.71073","MoKα","","0.0461","0.0328","","","0.0872","0.0955","","","","","","1.026","","","","has coordinates,has disorder","229034","2020-10-21","18:00:00",""
"7230660","5.6272","0.0017","8.095","0.003","9.638","0.003","90","","106.656","0.004","90","","420.6","0.2","298","","298","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C8 H12 O4 -","- C8 H12 O4 -","- C16 H24 O8 -","2","0.5","","Mir, Sajjad Husain; Takasaki, Yuichi; Engel, Emile R.; Takamizawa, Satoshi","Controllability of coercive stress in organoferroelasticity by the incorporation of a bulky flipping moiety in molecular crystals","CrystEngComm","2018","20","27","3807","","10.1039/C8CE00295A","","","0.71073","MoKα","","0.1044","0.0925","","","0.2301","0.246","","","","","","1.103","","","","has coordinates","228913","2020-10-21","18:00:00",""
"7230661","5.6186","0.0011","8.0802","0.0016","9.6186","0.0018","90","","106.636","0.002","90","","418.4","0.14","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C8 H12 O4 -","- C8 H12 O4 -","- C16 H24 O8 -","2","0.5","","Mir, Sajjad Husain; Takasaki, Yuichi; Engel, Emile R.; Takamizawa, Satoshi","Controllability of coercive stress in organoferroelasticity by the incorporation of a bulky flipping moiety in molecular crystals","CrystEngComm","2018","20","27","3807","","10.1039/C8CE00295A","","","0.71073","MoKα","","0.1098","0.0986","","","0.2177","0.2316","","","","","","1.101","","","","has coordinates","228913","2020-10-21","18:00:00",""
"7230663","5.7993","0.0005","25.037","0.003","10.15","0.0011","90","","100.329","0.011","90","","1449.9","0.3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","11-(4-fluorophenyl)-8,9,13,14-tetraoxa-11-azaspiro[6.7]tetradecane","","- C15 H20 F N O4 -","- C15 H20 F N O4 -","- C60 H80 F4 N4 O16 -","4","1","","Tulyabaev, Arthur R.; Bikmukhametov, Kamil Sh.; Mescheryakova, Ekaterina S.; Makhmudiyarova, Natalia N.; Rakhimov, Rustem Sh.; Khalilov, Leonard M.","What is responsible for conformational diversity in single-crystal tetraoxazaspiroalkanes? X-Ray, DFT, and AIM approaches","CrystEngComm","2018","20","23","3207","","10.1039/C8CE00481A","","x-ray","0.71073","MoKα","","0.0471","0.0375","","","0.0971","0.1053","","","","","","1.019","","","","has coordinates","229103","2020-10-21","18:00:00",""
"7230664","12.617","0.001","6.6369","0.0005","19.145","0.0017","90","","90","","90","","1603.2","0.2","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H22 F N O4 -","- C18 H22 F N O4 -","- C72 H88 F4 N4 O16 -","4","1","","Tulyabaev, Arthur R.; Bikmukhametov, Kamil Sh.; Mescheryakova, Ekaterina S.; Makhmudiyarova, Natalia N.; Rakhimov, Rustem Sh.; Khalilov, Leonard M.","What is responsible for conformational diversity in single-crystal tetraoxazaspiroalkanes? X-Ray, DFT, and AIM approaches","CrystEngComm","2018","20","23","3207","","10.1039/C8CE00481A","","x-ray","0.71073","MoKα","","0.0605","0.0419","","","0.1096","0.1275","","","","","","0.806","","","","has coordinates","229103","2020-10-21","18:00:00",""
"7230665","12.4037","0.001","14.553","0.0017","9.9903","0.0008","90","","103.023","0.008","90","","1757","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 N O5 -","- C19 H25 N O5 -","- C76 H100 N4 O20 -","4","1","","Tulyabaev, Arthur R.; Bikmukhametov, Kamil Sh.; Mescheryakova, Ekaterina S.; Makhmudiyarova, Natalia N.; Rakhimov, Rustem Sh.; Khalilov, Leonard M.","What is responsible for conformational diversity in single-crystal tetraoxazaspiroalkanes? X-Ray, DFT, and AIM approaches","CrystEngComm","2018","20","23","3207","","10.1039/C8CE00481A","","x-ray","0.71073","MoKα","","0.1237","0.0766","","","0.1906","0.2253","","","","","","1.144","","","","has coordinates","288248","2023-12-12","12:55:28",""
"7230666","20.1905","0.0016","6.6712","0.0004","12.9057","0.0009","90","","106.432","0.008","90","","1667.3","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 N O4 -","- C19 H25 N O4 -","- C76 H100 N4 O16 -","4","1","","Tulyabaev, Arthur R.; Bikmukhametov, Kamil Sh.; Mescheryakova, Ekaterina S.; Makhmudiyarova, Natalia N.; Rakhimov, Rustem Sh.; Khalilov, Leonard M.","What is responsible for conformational diversity in single-crystal tetraoxazaspiroalkanes? X-Ray, DFT, and AIM approaches","CrystEngComm","2018","20","23","3207","","10.1039/C8CE00481A","","x-ray","0.71073","MoKα","","0.1267","0.0971","","","0.242","0.264","","","","","","1.036","","","","has coordinates","288248","2023-12-12","12:55:28",""
"7230667","12.8989","0.0017","5.8609","0.0005","13.5007","0.0019","90","","116.417","0.017","90","","914.1","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H26 F N O4 -","- C18 H26 F N O4 -","- C36 H52 F2 N2 O8 -","2","1","","Tulyabaev, Arthur R.; Bikmukhametov, Kamil Sh.; Mescheryakova, Ekaterina S.; Makhmudiyarova, Natalia N.; Rakhimov, Rustem Sh.; Khalilov, Leonard M.","What is responsible for conformational diversity in single-crystal tetraoxazaspiroalkanes? X-Ray, DFT, and AIM approaches","CrystEngComm","2018","20","23","3207","","10.1039/C8CE00481A","","x-ray","0.71073","MoKα","","0.0923","0.0653","","","0.1773","0.2054","","","","","","1.163","","","","has coordinates","229103","2020-10-21","18:00:00",""
"7230668","12.146","0.002","6.0004","0.0007","14.022","0.003","90","","112.03","0.02","90","","947.3","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H26 Cl N O4 -","- C18 H26 Cl N O4 -","- C36 H52 Cl2 N2 O8 -","2","1","","Tulyabaev, Arthur R.; Bikmukhametov, Kamil Sh.; Mescheryakova, Ekaterina S.; Makhmudiyarova, Natalia N.; Rakhimov, Rustem Sh.; Khalilov, Leonard M.","What is responsible for conformational diversity in single-crystal tetraoxazaspiroalkanes? X-Ray, DFT, and AIM approaches","CrystEngComm","2018","20","23","3207","","10.1039/C8CE00481A","","x-ray","0.71073","MoKα","","0.1288","0.0675","","","0.1746","0.2241","","","","","","1.052","","","","has coordinates","229103","2020-10-21","18:00:00",""
"7230669","12.4485","0.0006","10.2927","0.0006","21.8055","0.001","90","","90","","90","","2793.9","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","10-(4-fluorophenyl)-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane","","- C14 H18 F N O4 -","- C14 H18 F N O4 -","- C112 H144 F8 N8 O32 -","8","1","","Tulyabaev, Arthur R.; Bikmukhametov, Kamil Sh.; Mescheryakova, Ekaterina S.; Makhmudiyarova, Natalia N.; Rakhimov, Rustem Sh.; Khalilov, Leonard M.","What is responsible for conformational diversity in single-crystal tetraoxazaspiroalkanes? X-Ray, DFT, and AIM approaches","CrystEngComm","2018","20","23","3207","","10.1039/C8CE00481A","","x-ray","0.71073","MoKα","","0.2066","0.0939","","","0.2198","0.2702","","","","","","1.175","","","","has coordinates","229103","2020-10-21","18:00:00",""
"7230670","11.5582","0.0008","6.0006","0.0003","27.226","0.002","90","","101.111","0.007","90","","1852.9","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H26 Cl N O4 -","- C18 H26 Cl N O4 -","- C72 H104 Cl4 N4 O16 -","4","2","","Tulyabaev, Arthur R.; Bikmukhametov, Kamil Sh.; Mescheryakova, Ekaterina S.; Makhmudiyarova, Natalia N.; Rakhimov, Rustem Sh.; Khalilov, Leonard M.","What is responsible for conformational diversity in single-crystal tetraoxazaspiroalkanes? X-Ray, DFT, and AIM approaches","CrystEngComm","2018","20","23","3207","","10.1039/C8CE00481A","","x-ray","0.71073","MoKα","","0.0914","0.0583","","","0.1374","0.1581","","","","","","1.047","","","","has coordinates","229103","2020-10-21","18:00:00",""
"7230671","5.6457","0.0005","26.456","0.004","10.456","0.001","90","","100.112","0.008","90","","1537.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 F N O4 -","- C16 H22 F N O4 -","- C64 H88 F4 N4 O16 -","4","1","","Tulyabaev, Arthur R.; Bikmukhametov, Kamil Sh.; Mescheryakova, Ekaterina S.; Makhmudiyarova, Natalia N.; Rakhimov, Rustem Sh.; Khalilov, Leonard M.","What is responsible for conformational diversity in single-crystal tetraoxazaspiroalkanes? X-Ray, DFT, and AIM approaches","CrystEngComm","2018","20","23","3207","","10.1039/C8CE00481A","","x-ray","0.71073","MoKα","","0.0894","0.0483","","","0.1251","0.1563","","","","","","0.865","","","","has coordinates","229103","2020-10-21","18:00:00",""
"7230672","11.6303","0.0012","17.6259","0.0018","14.8517","0.0015","90","","91.363","0.002","90","","3043.7","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 Eu N2 O13 P -","- C23 H18 Eu N2 O13 P -","- C92 H72 Eu4 N8 O52 P4 -","4","1","","Tulyabaev, Arthur R.; Bikmukhametov, Kamil Sh.; Mescheryakova, Ekaterina S.; Makhmudiyarova, Natalia N.; Rakhimov, Rustem Sh.; Khalilov, Leonard M.","What is responsible for conformational diversity in single-crystal tetraoxazaspiroalkanes? X-Ray, DFT, and AIM approaches","CrystEngComm","2018","20","23","3207","","10.1039/C8CE00481A","","","0.71073","MoKα","","0.0467","0.032","","","0.0791","0.0921","","","","","","1.068","","","","has coordinates,has disorder","229103","2020-10-21","18:00:00",""
"7230673","12.735","0.003","6.5866","0.0009","18.883","0.003","90","","90","","90","","1583.9","0.5","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","6'-phenylspiro[adamantane-2,2'-[1,3,4,8,6]tetraoxazocane]","","- C18 H23 N O4 -","- C18 H23 N O4 -","- C72 H92 N4 O16 -","4","1","","Tulyabaev, Arthur R.; Bikmukhametov, Kamil Sh.; Mescheryakova, Ekaterina S.; Makhmudiyarova, Natalia N.; Rakhimov, Rustem Sh.; Khalilov, Leonard M.","What is responsible for conformational diversity in single-crystal tetraoxazaspiroalkanes? X-Ray, DFT, and AIM approaches","CrystEngComm","2018","20","23","3207","","10.1039/C8CE00481A","","x-ray","0.71073","MoKα","","0.0645","0.049","","","0.1276","0.1483","","","","","","0.945","","","","has coordinates","229103","2020-10-21","18:00:00",""
"7230674","8.4809","0.0003","12.392","0.0006","12.8512","0.0006","92.174","0.004","99.176","0.004","103.153","0.004","1294.46","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H25 Cd Cl2 N3 O4 -","- C23 H23 Cd Cl2 N3 O4 -","- C46 H46 Cd2 Cl4 N6 O8 -","2","1","","Sun, Li; Guo, Rui-Yun; Yang, Xiao-Dong; Ma, Shuai; Zhang, Jie","Vapour-driven crystal-to-crystal transformation showing an interlocking switch of the coordination polymer chains between 1D and 3D","CrystEngComm","2018","20","24","3297","","10.1039/C8CE00591E","","","1.54178","CuKα","","0.0626","0.0549","","","0.1485","0.1607","","","","","","1.098","","","","has coordinates","228889","2020-10-21","18:00:00",""
"7230675","9.4764","0.0002","18.9403","0.0002","22.154","0.0003","90","","91.056","0.002","90","","3975.65","0.11","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C80 H84 Cd Cl2 N8 O18 -","- C80 H64 Cd Cl2 N8 O18 -","- C160 H128 Cd2 Cl4 N16 O36 -","2","0.5","","Sun, Li; Guo, Rui-Yun; Yang, Xiao-Dong; Ma, Shuai; Zhang, Jie","Vapour-driven crystal-to-crystal transformation showing an interlocking switch of the coordination polymer chains between 1D and 3D","CrystEngComm","2018","20","24","3297","","10.1039/C8CE00591E","","","1.54178","CuKα","","0.0741","0.0664","","","0.1929","0.2026","","","","","","1.046","","","","has coordinates","228889","2020-10-21","18:00:00",""
"7230676","29.9946","0.0012","12.7727","0.0009","13.3844","0.0006","90","","98.122","0.004","90","","5076.3","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H26 Cd Cl2 N2 O7 -","- C20 H16 Cd Cl2 N2 O7 -","- C160 H128 Cd8 Cl16 N16 O56 -","8","1","","Sun, Li; Guo, Rui-Yun; Yang, Xiao-Dong; Ma, Shuai; Zhang, Jie","Vapour-driven crystal-to-crystal transformation showing an interlocking switch of the coordination polymer chains between 1D and 3D","CrystEngComm","2018","20","24","3297","","10.1039/C8CE00591E","","","0.71073","MoKα","","0.0712","0.0485","","","0.1387","0.1609","","","","","","1.043","","","","has coordinates","228889","2020-10-21","18:00:00",""
"7230677","13.8355","0.0003","15.0442","0.0003","15.9034","0.0003","90","","90","","90","","3310.2","0.12","298","","298","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C17 H17 I N4 O -","- C17 H17 I N4 O -","- C136 H136 I8 N32 O8 -","8","2","","Li, Changfu; Chai, Yingying; Zhou, Xinglong; Shen, Zhen; Ma, Beibei; Chen, Bojiang; Huang, Ridong; Chen, Hai; Li, Weimin; He, Yang","Choice of hydrogen bonds or halogen bonds by 2-halogenated 5-morpholinomethylphenyl triazolo[1,5-a]pyridine","CrystEngComm","2018","20","22","3006","","10.1039/C8CE00423D","","","0.71073","MoKα","","0.031","0.0251","","","0.056","0.0578","","","","","","1.054","","","","has coordinates","228897","2020-10-21","18:00:00",""
"7230678","19.036","0.009","6.927","0.003","25.712","0.012","90","","103.09","0.009","90","","3302","3","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H17 Cl N4 O -","- C17 H17 Cl N4 O -","- C136 H136 Cl8 N32 O8 -","8","1","","Li, Changfu; Chai, Yingying; Zhou, Xinglong; Shen, Zhen; Ma, Beibei; Chen, Bojiang; Huang, Ridong; Chen, Hai; Li, Weimin; He, Yang","Choice of hydrogen bonds or halogen bonds by 2-halogenated 5-morpholinomethylphenyl triazolo[1,5-a]pyridine","CrystEngComm","2018","20","22","3006","","10.1039/C8CE00423D","","","0.71073","MoKα","","0.0851","0.0564","","","0.1736","0.1934","","","","","","1.07","","","","has coordinates,has disorder","228897","2020-10-21","18:00:00",""
"7230679","13.296","0.003","7.722","0.0002","17.136","0.002","90","","106.02","0.03","90","","1691.1","0.5","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 I N4 O -","- C17 H17 I N4 O -","- C68 H68 I4 N16 O4 -","4","1","","Li, Changfu; Chai, Yingying; Zhou, Xinglong; Shen, Zhen; Ma, Beibei; Chen, Bojiang; Huang, Ridong; Chen, Hai; Li, Weimin; He, Yang","Choice of hydrogen bonds or halogen bonds by 2-halogenated 5-morpholinomethylphenyl triazolo[1,5-a]pyridine","CrystEngComm","2018","20","22","3006","","10.1039/C8CE00423D","","","0.71073","MoKα","","0.048","0.0337","","","0.0882","0.0958","","","","","","1.028","","","","has coordinates","228897","2020-10-21","18:00:00",""
"7230680","10.049","0.002","13.677","0.003","25.211","0.005","97.626","0.003","94.832","0.003","110.108","0.003","3193.5","1.1","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H17 Cl N4 O -","- C17 H17 Cl N4 O -","- C136 H136 Cl8 N32 O8 -","8","4","","Li, Changfu; Chai, Yingying; Zhou, Xinglong; Shen, Zhen; Ma, Beibei; Chen, Bojiang; Huang, Ridong; Chen, Hai; Li, Weimin; He, Yang","Choice of hydrogen bonds or halogen bonds by 2-halogenated 5-morpholinomethylphenyl triazolo[1,5-a]pyridine","CrystEngComm","2018","20","22","3006","","10.1039/C8CE00423D","","","0.71073","MoKα","","0.1195","0.099","","","0.2637","0.2817","","","","","","1.049","","","","has coordinates","228897","2020-10-21","18:00:00",""
"7230681","19.1038","0.0013","6.8983","0.0006","25.726","0.002","90","","102.622","0.005","90","","3308.3","0.5","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H17 Br N4 O -","- C17 H17 Br N4 O -","- C136 H136 Br8 N32 O8 -","8","1","","Li, Changfu; Chai, Yingying; Zhou, Xinglong; Shen, Zhen; Ma, Beibei; Chen, Bojiang; Huang, Ridong; Chen, Hai; Li, Weimin; He, Yang","Choice of hydrogen bonds or halogen bonds by 2-halogenated 5-morpholinomethylphenyl triazolo[1,5-a]pyridine","CrystEngComm","2018","20","22","3006","","10.1039/C8CE00423D","","","0.71073","MoKα","","0.1413","0.0861","","","0.2606","0.2913","","","","","","1.123","","","","has coordinates,has disorder","228897","2020-10-21","18:00:00",""
"7230682","10.119","0.004","13.63","0.006","25.37","0.009","97.424","0.01","95.257","0.01","109.834","0.01","3229","2","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H17 Br N4 O -","- C17 H17 Br N4 O -","- C136 H136 Br8 N32 O8 -","8","4","","Li, Changfu; Chai, Yingying; Zhou, Xinglong; Shen, Zhen; Ma, Beibei; Chen, Bojiang; Huang, Ridong; Chen, Hai; Li, Weimin; He, Yang","Choice of hydrogen bonds or halogen bonds by 2-halogenated 5-morpholinomethylphenyl triazolo[1,5-a]pyridine","CrystEngComm","2018","20","22","3006","","10.1039/C8CE00423D","","","0.71073","MoKα","","0.1191","0.0778","","","0.1969","0.2229","","","","","","1.03","","","","has coordinates","228897","2020-10-21","18:00:00",""
"7230683","18.928","0.005","6.9102","0.0017","25.591","0.007","90","","103.145","0.006","90","","3259.5","1.5","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H17 Cl N4 O -","- C17 H17 Cl N4 O -","- C136 H136 Cl8 N32 O8 -","8","1","","Li, Changfu; Chai, Yingying; Zhou, Xinglong; Shen, Zhen; Ma, Beibei; Chen, Bojiang; Huang, Ridong; Chen, Hai; Li, Weimin; He, Yang","Choice of hydrogen bonds or halogen bonds by 2-halogenated 5-morpholinomethylphenyl triazolo[1,5-a]pyridine","CrystEngComm","2018","20","22","3006","","10.1039/C8CE00423D","","","0.71073","MoKα","","0.085","0.0552","","","0.1635","0.1793","","","","","","1.078","","","","has coordinates,has disorder","228897","2020-10-21","18:00:00",""
"7230684","6.3497","0.0003","8.0041","0.0004","11.1477","0.0004","71.782","0.004","85.993","0.004","83.431","0.004","534.28","0.04","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 Cu N8 O8 S2 -","- C18 H14 Cu N8 O8 S2 -","- C18 H14 Cu N8 O8 S2 -","1","0.5","","Hassanpoor, Azam; Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Majcher, Anna","Constructing two 1D coordination polymers and one mononuclear complex by pyrazine- and pyridinedicarboxylic acids under mild and sonochemical conditions: magnetic and CSD studies","CrystEngComm","2018","20","26","3711","","10.1039/C8CE00573G","","","0.7107","MoKα","","0.0438","0.0341","","","0.0747","0.0796","","","","","","1.055","","","","has coordinates","228987","2020-10-21","18:00:00",""
"7230685","6.636","0.0003","8.3292","0.0005","11.6684","0.0006","107.729","0.005","97.995","0.004","97.962","0.004","597.05","0.06","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C10 H9 Cu N3 O5 S -","- C10 H9 Cu N3 O5 S -","- C20 H18 Cu2 N6 O10 S2 -","2","1","","Hassanpoor, Azam; Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Majcher, Anna","Constructing two 1D coordination polymers and one mononuclear complex by pyrazine- and pyridinedicarboxylic acids under mild and sonochemical conditions: magnetic and CSD studies","CrystEngComm","2018","20","26","3711","","10.1039/C8CE00573G","","x-ray","1.54184","CuKα","","0.0348","0.0332","","","0.0863","0.0889","","","","","","1.142","","","","has coordinates","228987","2020-10-21","18:00:00",""
"7230686","6.4091","0.0003","8.0567","0.0004","11.3265","0.0005","70.675","0.004","85.308","0.004","81.872","0.004","545.98","0.05","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C20 H16 Cu N6 O8 S2 -","- C20 H16 Cu N6 O8 S2 -","- C20 H16 Cu N6 O8 S2 -","1","0.5","","Hassanpoor, Azam; Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Majcher, Anna","Constructing two 1D coordination polymers and one mononuclear complex by pyrazine- and pyridinedicarboxylic acids under mild and sonochemical conditions: magnetic and CSD studies","CrystEngComm","2018","20","26","3711","","10.1039/C8CE00573G","","x-ray","1.54184","CuKα","","0.0333","0.0317","","","0.0825","0.0839","","","","","","1.031","","","","has coordinates","228987","2020-10-21","18:00:00",""
"7230687","16.83","0.003","18.059","0.004","15.756","0.003","90","","98.82","0.03","90","","4732.1","1.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H18 Cd2 N6 O11 -","- C34 H18 Cd2 N6 O11 -","- C136 H72 Cd8 N24 O44 -","4","1","","Gu, Yun-Feng; Liu, Xiao-Ting; Zhang, Ying; Zhang, Shu-Ming; Chang, Ze; Bu, Xian-He","Supramolecular recognition of benzene homologues in a 2D coordination polymer through variable inter-layer π‒π interaction","CrystEngComm","2018","20","24","3313","","10.1039/C8CE00505B","","","0.71073","MoKα","","0.1771","0.091","","","0.1858","0.2218","","","","","","0.954","","","","has coordinates","228888","2020-10-21","18:00:00",""
"7230688","16.0536","0.0002","17.8754","0.0002","15.6953","0.0001","90","","102.731","0.001","90","","4393.27","0.08","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H26 Cd2 N6 O11 -","- C41 H26 Cd2 N6 O11 -","- C164 H104 Cd8 N24 O44 -","4","1","","Gu, Yun-Feng; Liu, Xiao-Ting; Zhang, Ying; Zhang, Shu-Ming; Chang, Ze; Bu, Xian-He","Supramolecular recognition of benzene homologues in a 2D coordination polymer through variable inter-layer π‒π interaction","CrystEngComm","2018","20","24","3313","","10.1039/C8CE00505B","","","1.54178","CuKα","","0.0313","0.0297","","","0.0838","0.0851","","","","","","0.91","","","","has coordinates","228888","2020-10-21","18:00:00",""
"7230689","17.1153","0.0001","18.127","0.0001","15.6893","0.0001","90","","94.978","0.001","90","","4849.23","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H28 Cd2 N6 O11 -","- C42 H28 Cd2 N6 O11 -","- C168 H112 Cd8 N24 O44 -","4","1","","Gu, Yun-Feng; Liu, Xiao-Ting; Zhang, Ying; Zhang, Shu-Ming; Chang, Ze; Bu, Xian-He","Supramolecular recognition of benzene homologues in a 2D coordination polymer through variable inter-layer π‒π interaction","CrystEngComm","2018","20","24","3313","","10.1039/C8CE00505B","","","1.54178","CuKα","","0.0308","0.0287","","","0.0633","0.0642","","","","","","1.011","","","","has coordinates","228888","2020-10-21","18:00:00",""
"7230694","17.346","0.002","12.1461","0.0009","5.2406","0.0006","90","","105.236","0.007","90","","1065.31","0.19","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Ba K Lu Mo3 O12 -","- Ba0.92 K1.08 Lu Mo3 O12 -","- Ba3.68 K4.32 Lu4 Mo12 O48 -","4","0.5","","Wang, G. Q.; Li, L. Y.; Feng, Y. N.; Yu, H.; Zheng, X. H.","Tb3± and Yb3±doped novel KBaLu(MoO4)3 crystals with disordered chained structure showing down- and up-conversion luminescence","CrystEngComm","2018","20","26","3657","","10.1039/C8CE00461G","","","0.71073","MoKα","","0.0224","0.0214","","","0.0553","0.0558","","","","","","1.102","","","","has coordinates","228990","2020-10-21","18:00:00",""
"7230695","13.2807","0.0005","13.2807","0.0005","14.1753","0.0006","90","","90","","120","","2165.23","0.15","150","2","150","2","","","","","","","","7","P 31 2 1","P 31 2""","152","","","","- C6 Br6 Cd Mo6 N6 O4 Se2 -","- C6 Br6 Cd Mo6 N6 O4 Se2 -","- C18 Br18 Cd3 Mo18 N18 O12 Se6 -","3","0.5","","Daigre, Gilles; Lemoine, Pierric; Pham, Thi Diep; Demange, Valérie; Gautier, Régis; Naumov, Nikolay G.; Ledneva, Alexandra; Amela-Cortes, Maria; Dumait, Noée; Audebrand, Nathalie; Cordier, Stéphane","Low dimensional solids based on Mo6 cluster cyanides and Mn2+, Mn3+ or Cd2+ metal ions: crystal chemistry, magnetic and optical properties","CrystEngComm","2018","20","24","3396","","10.1039/C8CE00113H","","","0.71073","MoKα","","0.0571","0.0506","","","0.1175","0.1212","","","","","","1.062","","","","has coordinates","228887","2020-10-21","18:00:00",""
"7230696","19.549","0.0008","10.3084","0.0004","13.7398","0.0005","90","","90","","90","","2768.83","0.19","150","2","150","2","","","","","","","","8","I m m a","-I 2b 2","74","","","","- C6 Br6 Cs0.68 Mn Mo6 N6 O2 S2 -","- C6 Br6.0006 Cs0.6742 Mn Mo6 N6 O2 S1.9994 -","- C24 Br24.0024 Cs2.6968 Mn4 Mo24 N24 O8 S7.9976 -","4","0.25","","Daigre, Gilles; Lemoine, Pierric; Pham, Thi Diep; Demange, Valérie; Gautier, Régis; Naumov, Nikolay G.; Ledneva, Alexandra; Amela-Cortes, Maria; Dumait, Noée; Audebrand, Nathalie; Cordier, Stéphane","Low dimensional solids based on Mo6 cluster cyanides and Mn2+, Mn3+ or Cd2+ metal ions: crystal chemistry, magnetic and optical properties","CrystEngComm","2018","20","24","3396","","10.1039/C8CE00113H","","","0.71073","MoKα","","0.0637","0.0383","","","0.1044","0.1123","","","","","","1.052","","","","has coordinates","228887","2020-10-21","18:00:00",""
"7230697","19.5758","0.0007","10.4102","0.0004","13.7808","0.0005","90","","90","","90","","2808.36","0.18","150","2","150","2","","","","","","","","6","I m m a","-I 2b 2","74","","","","- C6 Br8 Mn Mo6 N6 O2 -","- C6 Br8 Mn Mo6 N6 O2 -","- C24 Br32 Mn4 Mo24 N24 O8 -","4","0.25","","Daigre, Gilles; Lemoine, Pierric; Pham, Thi Diep; Demange, Valérie; Gautier, Régis; Naumov, Nikolay G.; Ledneva, Alexandra; Amela-Cortes, Maria; Dumait, Noée; Audebrand, Nathalie; Cordier, Stéphane","Low dimensional solids based on Mo6 cluster cyanides and Mn2+, Mn3+ or Cd2+ metal ions: crystal chemistry, magnetic and optical properties","CrystEngComm","2018","20","24","3396","","10.1039/C8CE00113H","","","0.71073","MoKα","","0.0559","0.0551","","","0.1274","0.1276","","","","","","1.367","","","","has coordinates","228887","2020-10-21","18:00:00",""
"7230698","19.473","0.004","10.3173","0.0017","13.749","0.003","90","","90","","90","","2762.3","0.9","150","2","150","2","","","","","","","","6","I m m a","-I 2b 2","74","","","","- C6 Br8 Fe Mo6 N6 O2 -","- C6 Br8 Fe Mo6 N6 O2 -","- C24 Br32 Fe4 Mo24 N24 O8 -","4","0.25","","Daigre, Gilles; Lemoine, Pierric; Pham, Thi Diep; Demange, Valérie; Gautier, Régis; Naumov, Nikolay G.; Ledneva, Alexandra; Amela-Cortes, Maria; Dumait, Noée; Audebrand, Nathalie; Cordier, Stéphane","Low dimensional solids based on Mo6 cluster cyanides and Mn2+, Mn3+ or Cd2+ metal ions: crystal chemistry, magnetic and optical properties","CrystEngComm","2018","20","24","3396","","10.1039/C8CE00113H","","x-ray","0.71073","MoKα","","0.1789","0.1526","","","0.4307","0.4529","","","","","","1.116","","","","has coordinates","228887","2020-10-21","18:00:00",""
"7230699","13.2013","0.0006","13.2013","0.0006","14.1296","0.0006","90","","90","","120","","2132.52","0.16","150","2","150","2","","","","","","","","7","P 31 2 1","P 31 2""","152","","","","- C6 Br6 Cd Mo6 N6 O4 S2 -","- C6 Br6 Cd Mo6 N6 O4 S2 -","- C18 Br18 Cd3 Mo18 N18 O12 S6 -","3","0.5","","Daigre, Gilles; Lemoine, Pierric; Pham, Thi Diep; Demange, Valérie; Gautier, Régis; Naumov, Nikolay G.; Ledneva, Alexandra; Amela-Cortes, Maria; Dumait, Noée; Audebrand, Nathalie; Cordier, Stéphane","Low dimensional solids based on Mo6 cluster cyanides and Mn2+, Mn3+ or Cd2+ metal ions: crystal chemistry, magnetic and optical properties","CrystEngComm","2018","20","24","3396","","10.1039/C8CE00113H","","","0.71073","MoKα","","0.0885","0.0581","","","0.1273","0.1352","","","","","","1.072","","","","has coordinates","228887","2020-10-21","18:00:00",""
"7230700","19.6163","0.001","10.2909","0.0007","13.8615","0.0008","90","","90","","90","","2798.2","0.3","296","2","296","2","","","","","","","","8","I m m a","-I 2b 2","74","","","","- C6 Br6 Cs0.82 Mn Mo6 N6 O2 Se2 -","- C6 Br6 Cs0.8156 Mn Mo6 N6 O2 Se2 -","- C24 Br24 Cs3.2624 Mn4 Mo24 N24 O8 Se8 -","4","0.25","","Daigre, Gilles; Lemoine, Pierric; Pham, Thi Diep; Demange, Valérie; Gautier, Régis; Naumov, Nikolay G.; Ledneva, Alexandra; Amela-Cortes, Maria; Dumait, Noée; Audebrand, Nathalie; Cordier, Stéphane","Low dimensional solids based on Mo6 cluster cyanides and Mn2+, Mn3+ or Cd2+ metal ions: crystal chemistry, magnetic and optical properties","CrystEngComm","2018","20","24","3396","","10.1039/C8CE00113H","","","0.71073","MoKα","","0.0498","0.03","","","0.0648","0.0702","","","","","","1.015","","","","has coordinates","228887","2020-10-21","18:00:00",""
"7230701","12.3495","0.0011","21.893","0.002","19.7759","0.0018","90","","103.632","0.002","90","","5196.1","0.8","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C20 H32 As Co2 Mo8 N8 O40 V4 -","- C20 H16 As Co2 Mo8 N8 O40 V4 -","- C80 H64 As4 Co8 Mo32 N32 O160 V16 -","4","0.5","","Li, Feng-rui; Lv, Jing-hua; Yu, Kai; Zhang, Mao-lin; Wang, Kun-peng; Meng, Fan-xue; Zhou, Bai-bin","Effective photocatalytic and bifunctional electrocatalytic materials based on Keggin arsenomolybdates and different transition metal capped assemblies","CrystEngComm","2018","20","25","3522","","10.1039/C8CE00550H","","","0.71073","MoKα","","0.0496","0.0408","","","0.1097","0.1156","","","","","","1.042","","","","has coordinates","229032","2020-10-21","18:00:00",""
"7230702","10.733","0.004","13.361","0.004","21.952","0.007","89.302","0.006","79.585","0.006","75.901","0.005","3001.2","1.7","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C50 H84 As2 Cu4 Mo16 N20 O83 V8 -","- C50 H84 As2 Cu4 Mo16 N20 O83 V8 -","- C50 H84 As2 Cu4 Mo16 N20 O83 V8 -","1","0.5","","Li, Feng-rui; Lv, Jing-hua; Yu, Kai; Zhang, Mao-lin; Wang, Kun-peng; Meng, Fan-xue; Zhou, Bai-bin","Effective photocatalytic and bifunctional electrocatalytic materials based on Keggin arsenomolybdates and different transition metal capped assemblies","CrystEngComm","2018","20","25","3522","","10.1039/C8CE00550H","","","0.71073","MoKα","","0.1114","0.0759","","","0.1891","0.2107","","","","","","1.041","","","","has coordinates","229032","2020-10-21","18:00:00",""
"7230703","20.7262","0.0006","14.6357","0.0006","25.6626","0.0009","90","","113.289","0.002","90","","7150.3","0.5","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C30 H30 As Cu5 Mo12 N20 O42 V2 -","- C30 H30 As Cu5 Mo12 N20 O42 V2 -","- C120 H120 As4 Cu20 Mo48 N80 O168 V8 -","4","0.5","","Li, Feng-rui; Lv, Jing-hua; Yu, Kai; Zhang, Mao-lin; Wang, Kun-peng; Meng, Fan-xue; Zhou, Bai-bin","Effective photocatalytic and bifunctional electrocatalytic materials based on Keggin arsenomolybdates and different transition metal capped assemblies","CrystEngComm","2018","20","25","3522","","10.1039/C8CE00550H","","","0.71073","MoKα","","0.0639","0.0484","","","0.1351","0.1451","","","","","","1.05","","","","has coordinates","229032","2020-10-21","18:00:00",""
"7230704","18.0444","0.0006","11.4284","0.0005","17.241","0.0006","90","","90","","90","","3555.4","0.2","173.15","","173.15","","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C31 H36 Br2 Cl2 N8 O4 -","- C31 H36 Br2 Cl2 N8 O4 -","- C124 H144 Br8 Cl8 N32 O16 -","4","0.5","","Naseer, Muhammad Moazzam; Bauzá, Antonio; Alnasr, Hazem; Jurkschat, Klaus; Frontera, Antonio","Lone pair‒π vs. σ-hole‒π interactions in bromine head-containing oxacalix[2]arene[2]triazines","CrystEngComm","2018","20","23","3251","","10.1039/C8CE00666K","","x-ray","0.71073","MoKα","","0.064","0.0425","","","0.1172","0.1283","","","","","","1.081","","","","has coordinates","229107","2020-10-21","18:00:00",""
"7230723","8.3611","0.0002","10.3462","0.0002","10.3808","0.0003","106.747","0.003","113.735","0.003","103.091","0.003","724.61","0.05","150","2","150","2","","","","","","","","4","P 1","P 1","1","","","","- C15 H12 I2 N2 -","- C15 H12 I2 N2 -","- C30 H24 I4 N4 -","2","2","","González, Lucía; Graus, Sara; Tejedor, Rosa María; López, Pilar; Elguero, José; Serrano, José Luis; Uriel, Santiago","From diiodo Tröger's bases towards halogen-bonded porous organic crystalline materials","CrystEngComm","2018","20","23","3167","","10.1039/C8CE00557E","","","0.7107","MoKα","","0.0181","0.0171","","","0.04","0.0403","","","","","","1.059","","","","has coordinates","229105","2020-10-21","18:00:00",""
"7230724","11.6765","0.0002","22.8696","0.0004","8.3636","0.0001","90","","110.549","0.002","90","","2091.28","0.06","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19.4 H12.8 Cl0.8 I2 N2 -","- C19.4 H12 Cl0.8 I2 N2 -","- C77.6 H48 Cl3.2 I8 N8 -","4","1","","González, Lucía; Graus, Sara; Tejedor, Rosa María; López, Pilar; Elguero, José; Serrano, José Luis; Uriel, Santiago","From diiodo Tröger's bases towards halogen-bonded porous organic crystalline materials","CrystEngComm","2018","20","23","3167","","10.1039/C8CE00557E","","","1.5418","CuKα","","0.0419","0.0386","","","0.112","0.1151","","","","","","0.976","","","","has coordinates","229105","2020-10-21","18:00:00",""
"7230725","17.8602","0.0006","17.9174","0.0006","11.0199","0.0004","90","","90","","90","","3526.5","0.2","293","2","293","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C16 H14 Cl2 I2 N2 -","- C16 H14 Cl2 I2 N2 -","- C128 H112 Cl16 I16 N16 -","8","1","","González, Lucía; Graus, Sara; Tejedor, Rosa María; López, Pilar; Elguero, José; Serrano, José Luis; Uriel, Santiago","From diiodo Tröger's bases towards halogen-bonded porous organic crystalline materials","CrystEngComm","2018","20","23","3167","","10.1039/C8CE00557E","","","0.71073","MoKα","","0.0652","0.0646","","","0.1603","0.1611","","","","","","1.763","","","","has coordinates","229105","2020-10-21","18:00:00",""
"7230726","7.7955","0.0005","36.484","0.007","10.5534","0.0011","90","","105.088","0.007","90","","2898","0.7","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 I2 N2 -","- C15 H12 I2 N2 -","- C120 H96 I16 N16 -","8","2","","González, Lucía; Graus, Sara; Tejedor, Rosa María; López, Pilar; Elguero, José; Serrano, José Luis; Uriel, Santiago","From diiodo Tröger's bases towards halogen-bonded porous organic crystalline materials","CrystEngComm","2018","20","23","3167","","10.1039/C8CE00557E","","","0.7107","MoKα","","0.0521","0.0387","","","0.072","0.0744","","","","","","1.151","","","","has coordinates","229105","2020-10-21","18:00:00",""
"7230727","11.314","0.006","15.217","0.009","17.158","0.01","106.412","0.007","98.879","0.006","105.061","0.006","2652","3","273","2","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C45 H50 Cl3 N9 O19 Zn1.5 -","- C45 H50 Cl3 N9 O19 Zn1.5 -","- C90 H100 Cl6 N18 O38 Zn3 -","2","1","","Colinas, Ian R.; Rojas-Andrade, Mauricio D.; Chakraborty, Indranil; Oliver, Scott R. J.","Two structurally diverse Zn-based coordination polymers with excellent antibacterial activity","CrystEngComm","2018","20","24","3353","","10.1039/C8CE00394G","","","0.71073","MoKα","","0.0915","0.0672","","","0.1679","0.182","","","","","","1.027","","","","has coordinates","228886","2020-10-21","18:00:00",""
"7230728","11.3806","0.001","11.4717","0.001","11.9184","0.001","105.855","0.001","108.975","0.001","101.196","0.001","1345.2","0.2","273","2","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H24 Cl N4 O9 Zn1.5 -","- C24 H24 Cl N4 O9 Zn1.5 -","- C48 H48 Cl2 N8 O18 Zn3 -","2","1","","Colinas, Ian R.; Rojas-Andrade, Mauricio D.; Chakraborty, Indranil; Oliver, Scott R. J.","Two structurally diverse Zn-based coordination polymers with excellent antibacterial activity","CrystEngComm","2018","20","24","3353","","10.1039/C8CE00394G","","","0.71073","MoKα","","0.0631","0.0595","","","0.1381","0.1408","","","","","","1.036","","","","has coordinates","228886","2020-10-21","18:00:00",""
"7230729","28.576","0.002","28.576","0.002","17.986","0.001","90","","90","","90","","14687.1","1.7","120","2","120","2","","","","","","","","7","I 41/a c d :2","-I 4bd 2c","142","","","","- C26 H28 Cu F6 N4 O9 S2 -","- C26 H16 Cu F6 N4 O9 S2 -","- C416 H256 Cu16 F96 N64 O144 S32 -","16","0.5","","Rizzato, Silvia; Moret, Massimo; Beghi, Fabio; Lo Presti, Leonardo","Crystallization and structural properties of a family of isotopological 3D-networks: the case of a 4,4′-bipy ligand‒M2+ triflate system","CrystEngComm","2018","20","26","3784","","10.1039/C8CE00653A","","","0.71073","MoKα","","0.0765","0.0716","","","0.2183","0.2233","","","","","","1.118","","","","has coordinates,has disorder","228989","2020-10-21","18:00:00",""
"7230730","28.28","0.007","28.28","","19.059","0.005","90","","90","","90","","15243","5","293","2","293","2","","","","","","","","7","I 41/a c d :2","-I 4bd 2c","142","","","","- C22 H16 Cu F6 N4 O6 S2 -","- C22 H16 Cu F6 N4 O6 S2 -","- C352 H256 Cu16 F96 N64 O96 S32 -","16","0.5","","Rizzato, Silvia; Moret, Massimo; Beghi, Fabio; Lo Presti, Leonardo","Crystallization and structural properties of a family of isotopological 3D-networks: the case of a 4,4′-bipy ligand‒M2+ triflate system","CrystEngComm","2018","20","26","3784","","10.1039/C8CE00653A","","","0.71073","MoKα","","0.1937","0.1712","","","0.5198","0.5337","","","","","","2.194","","","","has coordinates,has disorder","228989","2020-10-21","18:00:00",""
"7230731","17.338","0.001","42.746","0.002","43.404","0.002","90","","90","","90","","32168","3","150","2","150","2","","","","","","","","8","F d d d :2","-F 2uv 2vw","70","","","","- C24.375 H20.75 Cd Cl0.75 F6 N4 O6.5 S2 -","- C24.375 H20.75 Cd Cl0.75 F6 N4 O6.5 S2 -","- C780 H664 Cd32 Cl24 F192 N128 O208 S64 -","32","1","","Rizzato, Silvia; Moret, Massimo; Beghi, Fabio; Lo Presti, Leonardo","Crystallization and structural properties of a family of isotopological 3D-networks: the case of a 4,4′-bipy ligand‒M2+ triflate system","CrystEngComm","2018","20","26","3784","","10.1039/C8CE00653A","","x-ray","0.71073","MoKα","","0.0968","0.0846","","","0.2594","0.2721","","","","","","1.077","","","","has coordinates,has disorder","228989","2020-10-21","18:00:00",""
"7230732","16.993","0.009","42.006","0.002","42.426","0.002","90","","90","","90","","30284","16","120","2","120","2","","","","","","","","7","F d d d :2","-F 2uv 2vw","70","","","","- C22 H16.75 F6 Fe N4 O6.375 S2 -","- C22 H16 F6 Fe N4 O6.376 S2 -","- C704 H512 F192 Fe32 N128 O204.032 S64 -","32","1","","Rizzato, Silvia; Moret, Massimo; Beghi, Fabio; Lo Presti, Leonardo","Crystallization and structural properties of a family of isotopological 3D-networks: the case of a 4,4′-bipy ligand‒M2+ triflate system","CrystEngComm","2018","20","26","3784","","10.1039/C8CE00653A","","x-ray","0.71073","MoKα","","0.1178","0.1085","","","0.3232","0.3311","","","","","","1.472","","","","has coordinates,has disorder","228989","2020-10-21","18:00:00",""
"7230733","28.481","0.004","28.481","","18.723","0.003","90","","90","","90","","15187","3","293","2","293","2","","","","","","","","7","I 41/a c d :2","-I 4bd 2c","142","","","","- C22 H16 Cu F6 N4 O6 S2 -","- C22 H16 Cu F6 N4 O6 S2 -","- C352 H256 Cu16 F96 N64 O96 S32 -","16","0.5","","Rizzato, Silvia; Moret, Massimo; Beghi, Fabio; Lo Presti, Leonardo","Crystallization and structural properties of a family of isotopological 3D-networks: the case of a 4,4′-bipy ligand‒M2+ triflate system","CrystEngComm","2018","20","26","3784","","10.1039/C8CE00653A","","","0.71073","MoKα","","0.1482","0.1237","","","0.3788","0.3948","","","","","","1.54","","","","has coordinates,has disorder","228989","2020-10-21","18:00:00",""
"7230734","7.852","0.003","15.069","0.006","23.107","0.01","90","","90","","90","","2734.1","1.9","293","2","293","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C22 H20 F6 Fe N4 O8 S2 -","- C22 H20 F6 Fe N4 O8 S2 -","- C88 H80 F24 Fe4 N16 O32 S8 -","4","0.5","","Rizzato, Silvia; Moret, Massimo; Beghi, Fabio; Lo Presti, Leonardo","Crystallization and structural properties of a family of isotopological 3D-networks: the case of a 4,4′-bipy ligand‒M2+ triflate system","CrystEngComm","2018","20","26","3784","","10.1039/C8CE00653A","","x-ray","0.71073","MoKα","","0.1032","0.0804","","","0.2179","0.2479","","","","","","1.034","","","","has coordinates,has disorder","228989","2020-10-21","18:00:00",""
"7230735","9.5545","0.0019","16.926","0.003","7.8873","0.0016","90","","90.72","0.03","90","","1275.4","0.4","293","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H28 Cd F2 N12 O2 -","- C18 H28 Cd F2 N12 O2 -","- C36 H56 Cd2 F4 N24 O4 -","2","0.5","","Jian, Fang Fang; Liu, E.; Ma, Jun Ying","Interesting fluorine anion water clusters [F−·(H2O)n] in metal complex crystals","CrystEngComm","2018","20","27","3849","","10.1039/C8CE00532J","","","0.71073","MoKα","","0.0364","0.0248","","","0.0617","0.0661","","","","","","0.947","","","","has coordinates","228914","2020-10-21","18:00:00",""
"7230736","8.972","0.0013","8.972","0.0013","21.077","0.004","90","","90","","120","","1469.3","0.4","293","2","293.15","","","","","","","","","6","P 63/m","-P 6c","176","","","","- C18 H32 Co F N13 O7 -","- C18 H31.9999 Co F N13 O7 -","- C36 H63.9998 Co2 F2 N26 O14 -","2","0.166667","","Jian, Fang Fang; Liu, E.; Ma, Jun Ying","Interesting fluorine anion water clusters [F−·(H2O)n] in metal complex crystals","CrystEngComm","2018","20","27","3849","","10.1039/C8CE00532J","","","0.71073","MoKα","","0.0542","0.0398","","","0.1113","0.12","","","","","","1.053","","","","has coordinates","228914","2020-10-21","18:00:00",""
"7230737","8.9","0.0018","21.14","0.004","15.03","0.003","90","","90","","90","","2827.8","1","293","2","293.15","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C18 H34 F2 N12 Ni O5 -","- C18 H34 F2 N12 Ni O5 -","- C72 H136 F8 N48 Ni4 O20 -","4","0.5","","Jian, Fang Fang; Liu, E.; Ma, Jun Ying","Interesting fluorine anion water clusters [F−·(H2O)n] in metal complex crystals","CrystEngComm","2018","20","27","3849","","10.1039/C8CE00532J","","","0.71073","MoKα","","0.0418","0.0274","","","0.0775","0.0869","","","","","","1.036","","","","has coordinates","228914","2020-10-21","18:00:00",""
"7230749","28.4964","0.0013","8.1448","0.0003","15.5302","0.0007","90","","90","","90","","3604.5","0.3","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","Sulfathiazoium besilate","4-(1,3-thiazol-2(3H)-ylidenesulfamoyl)anilinium benzenesulfonate","","- C15 H15 N3 O5 S3 -","- C15 H15 N3 O5 S3 -","- C120 H120 N24 O40 S24 -","8","1","","Seaton, Colin C.; Thomas, Rayan R.; Essifaow, Eman A. A.; Nauha, Elisa; Munshi, Tasnim; Scowen, Ian J.","Structural motifs in salts of sulfathiazole: implications for design of salt forms in pharmaceuticals APIs","CrystEngComm","2018","20","24","3428","","10.1039/C8CE00606G","","","0.71073","MoKα","","0.1032","0.0537","","","0.0998","0.122","","","","","","1.102","","","","has coordinates,has disorder","228890","2020-10-21","18:00:00",""
"7230750","8.0557","0.0002","9.9422","0.0003","17.209","0.0005","90","","90.57","0.001","90","","1378.22","0.07","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Sulfathiazoium tetrafluoroborate","","- C9 H10 B F4 N3 O2 S2 -","- C9 H10 B F4 N3 O2 S2 -","- C36 H40 B4 F16 N12 O8 S8 -","4","1","","Seaton, Colin C.; Thomas, Rayan R.; Essifaow, Eman A. A.; Nauha, Elisa; Munshi, Tasnim; Scowen, Ian J.","Structural motifs in salts of sulfathiazole: implications for design of salt forms in pharmaceuticals APIs","CrystEngComm","2018","20","24","3428","","10.1039/C8CE00606G","","","0.71073","MoKα","","0.0422","0.0369","","","0.0963","0.1008","","","","","","1.096","","","","has coordinates","228890","2020-10-21","18:00:00",""
"7230751","14.9484","0.0004","8.2585","0.0002","22.9621","0.0006","90","","100.818","0.001","90","","2784.33","0.12","173","2","173.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sulfathiazoium hydrogen dinitrate","4-(1,3-thiazol-2(3H)-ylidenesulfamoyl)anilinium nitrate nitric acid","","- C18 H21 N9 O13 S4 -","- C18 H21 N9 O13 S4 -","- C72 H84 N36 O52 S16 -","4","1","","Seaton, Colin C.; Thomas, Rayan R.; Essifaow, Eman A. A.; Nauha, Elisa; Munshi, Tasnim; Scowen, Ian J.","Structural motifs in salts of sulfathiazole: implications for design of salt forms in pharmaceuticals APIs","CrystEngComm","2018","20","24","3428","","10.1039/C8CE00606G","","","0.71073","MoKα","","0.0638","0.039","","","0.0897","0.1022","","","","","","1.026","","","","has coordinates,has disorder","228890","2020-10-21","18:00:00",""
"7230752","17.4737","0.0009","11.624","0.0005","11.7557","0.0005","90","","90.072","0.002","90","","2387.75","0.19","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Sulfathiazolium Sulfate Hydrate","","- C18 H22 N6 O9 S5 -","- C18 H20 N6 O9 S5 -","- C72 H80 N24 O36 S20 -","4","0.5","","Seaton, Colin C.; Thomas, Rayan R.; Essifaow, Eman A. A.; Nauha, Elisa; Munshi, Tasnim; Scowen, Ian J.","Structural motifs in salts of sulfathiazole: implications for design of salt forms in pharmaceuticals APIs","CrystEngComm","2018","20","24","3428","","10.1039/C8CE00606G","","","0.71073","MoKα","","0.0922","0.0504","","","0.0961","0.1134","","","","","","1.055","","","","has coordinates,has disorder","228890","2020-10-21","18:00:00",""
"7230753","13.1054","0.0004","13.3838","0.0003","17.8464","0.0004","109.958","0.001","92.029","0.002","111.591","0.001","2689","0.12","173","2","173.2","","","","","","","","","5","P -1","-P 1","2","N-(2-methyl-4-oxopentan-2-yl)sulfathiazoium tosylate","N-(2-methyl-4-oxopentan-2-yl)-4-(N-(thiazol-2(3H)-ylidene)sulfamoyl)benzenaminium 4-methylbenzenesulfonate","","- C22 H27 N3 O6 S3 -","- C22 H27 N3 O6 S3 -","- C88 H108 N12 O24 S12 -","4","2","","Seaton, Colin C.; Thomas, Rayan R.; Essifaow, Eman A. A.; Nauha, Elisa; Munshi, Tasnim; Scowen, Ian J.","Structural motifs in salts of sulfathiazole: implications for design of salt forms in pharmaceuticals APIs","CrystEngComm","2018","20","24","3428","","10.1039/C8CE00606G","","","0.71073","MoKα","","0.0978","0.0496","","","0.11","0.1382","","","","","","1.028","","","","has coordinates","228890","2020-10-21","18:00:00",""
"7230754","12.931","0.003","27.071","0.005","13.699","0.003","90","","118.15","0.03","90","","4228","2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C72 H48 N14 O34 Zn5 -","- C72 H48 N14 O34 Zn5 -","- C144 H96 N28 O68 Zn10 -","2","1","","Wang, Jun-Jie; Zhang, You-Juan; Chen, Yan; Si, Pan-Pan; Pan, Ya-Ya; Yang, Jie; Fan, Rui-Yang; Li, Zhao-Yang","Three new Zn-based metal‒organic frameworks exhibiting selective fluorescence sensing and photocatalytic activity","CrystEngComm","2018","20","27","3877","","10.1039/C8CE00598B","","","0.71073","MoKα","","0.1529","0.0661","","","0.1346","0.1619","","","","","","0.872","","","","has coordinates","228911","2020-10-21","18:00:00",""
"7230755","10.748","0.002","12.175","0.002","19.15","0.004","90","","97.74","0.03","90","","2483.1","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H16 N6 O6 Zn -","- C26 H16 N6 O6 Zn -","- C104 H64 N24 O24 Zn4 -","4","1","","Wang, Jun-Jie; Zhang, You-Juan; Chen, Yan; Si, Pan-Pan; Pan, Ya-Ya; Yang, Jie; Fan, Rui-Yang; Li, Zhao-Yang","Three new Zn-based metal‒organic frameworks exhibiting selective fluorescence sensing and photocatalytic activity","CrystEngComm","2018","20","27","3877","","10.1039/C8CE00598B","","","0.71073","MoKα","","0.0424","0.0308","","","0.0795","0.0847","","","","","","1.035","","","","has coordinates","228911","2020-10-21","18:00:00",""
"7230756","22.968","0.005","9.911","0.002","21.552","0.004","90","","107.46","0.03","90","","4680","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H16 N6 O6 Zn -","- C26 H16 N6 O6 Zn -","- C208 H128 N48 O48 Zn8 -","8","1","","Wang, Jun-Jie; Zhang, You-Juan; Chen, Yan; Si, Pan-Pan; Pan, Ya-Ya; Yang, Jie; Fan, Rui-Yang; Li, Zhao-Yang","Three new Zn-based metal‒organic frameworks exhibiting selective fluorescence sensing and photocatalytic activity","CrystEngComm","2018","20","27","3877","","10.1039/C8CE00598B","","","0.71073","MoKα","","0.0657","0.0388","","","0.1005","0.1132","","","","","","1.004","","","","has coordinates","228911","2020-10-21","18:00:00",""
"7230757","11.4292","0.0009","8.7331","0.0016","8.876","0.0014","90","","96.18","0.01","90","","880.8","0.2","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","dimethylammonium copper formate","","- C5 H11 Cu N O6 -","- C5 H11 Cu N O6 -","- C20 H44 Cu4 N4 O24 -","4","0.5","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41096","synchrotron","","0.0668","0.0442","","","0.103","0.134","","","","","","1.16","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230758","5.4601","0.0009","5.9181","0.0012","5.784","0.004","94.58","0.04","90","0.03","96.582","0.015","185.07","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C5 H11 Cu N O6 -","- C5 Cu N O6 -","- C5 Cu N O6 -","1","0.5","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41108","synchrotron","","0.1251","0.0823","","","0.2031","0.2183","","","","","","0.908","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230759","8.26613","0.00019","8.26613","0.00019","22.2627","0.0003","90","","90","","120","","1317.39","0.05","293","2","293","2","","","","","","","","5","R -3 c","-R 3 2""c","167","","","","- C5 H11 Mn N O6 -","- C5 H10.9998 Mn N0.9999 O6 -","- C30 H65.9988 Mn6 N5.9994 O36 -","6","","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41119","synchrotron","","0.0327","0.0285","","","0.0703","0.0759","","","","","","1.262","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230760","8.2046","0.0002","8.2046","0.0002","21.6892","0.0003","90","","90","","120","","1264.41","0.05","293","2","293","2","","","","","","","","5","R -3 c","-R 3 2""c","167","","","","- C5 H11 Mn N O6 -","- C5 H10.9998 Mn N0.9999 O6 -","- C30 H65.9988 Mn6 N5.9994 O36 -","6","","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41119","synchrotron","","0.0426","0.0369","","","0.0896","0.0973","","","","","","1.213","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230761","11.3613","0.0003","8.6208","0.0005","8.718","0.0005","90","","95.658","0.003","90","","849.71","0.07","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C5 H11 Cu N O6 -","- C5 H11 Cu N O6 -","- C20 H44 Cu4 N4 O24 -","4","0.5","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41108","synchrotron","","0.047","0.033","","","0.0723","0.0914","","","","","","1.158","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230762","10.9738","0.0006","8.4692","0.0011","8.109","0.0009","90","","94.187","0.007","90","","751.63","0.13","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C5 H11 Cu N O6 -","- C5 H11 Cu N O6 -","- C20 H44 Cu4 N4 O24 -","4","0.5","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41108","synchrotron","","0.0623","0.0442","","","0.1076","0.1271","","","","","","1.12","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230763","11.39538","0.00018","8.6694","0.0004","8.7825","0.0004","90","","95.884","0.002","90","","863.06","0.06","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C5 H11 Cu N O6 -","- C5 H11 Cu N O6 -","- C20 H44 Cu4 N4 O24 -","4","0.5","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41108","synchrotron","","0.048","0.0335","","","0.077","0.1008","","","","","","1.187","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230764","11.27196","0.00014","8.5295","0.0003","8.5611","0.0003","90","","95.1904","0.0017","90","","819.72","0.04","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C5 H11 Cu N O6 -","- C5 H11 Cu N O6 -","- C20 H44 Cu4 N4 O24 -","4","0.5","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41108","synchrotron","","0.0501","0.0359","","","0.0837","0.1012","","","","","","1.129","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230765","8.1738","0.0004","8.1738","0.0004","21.4104","0.0006","90","","90","","120","","1238.81","0.09","293","2","293","2","","","","","","","","5","R -3 c","-R 3 2""c","167","","","","- C5 H11 Mn N O6 -","- C5 H10.9998 Mn N0.9999 O6 -","- C30 H65.9988 Mn6 N5.9994 O36 -","6","","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41119","synchrotron","","0.0509","0.041","","","0.0982","0.1137","","","","","","1.24","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230766","5.3448","0.0017","5.871","0.002","5.67","0.006","96.33","0.08","88.41","0.06","96.33","0.03","175.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C5 H11 Cu N O6 -","- C5 Cu N O6 -","- C5 Cu N O6 -","1","0.5","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41108","synchrotron","","0.1021","0.0746","","","0.1838","0.2022","","","","","","1.055","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230767","8.1373","0.0006","8.1373","0.0006","21.1601","0.0007","90","","90","","120","","1213.41","0.13","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C5 H11 Mn N O6 -","- C5 H10.9998 Mn N0.9999 O6 -","- C30 H65.9988 Mn6 N5.9994 O36 -","6","0.166667","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41119","synchrotron","","0.0643","0.0532","","","0.1437","0.1643","","","","","","1.114","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230768","11.22268","0.00013","8.4953","0.0003","8.4836","0.0002","90","","94.9859","0.0018","90","","805.77","0.04","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C5 H11 Cu N O6 -","- C5 H11 Cu N O6 -","- C20 H44 Cu4 N4 O24 -","4","0.5","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41108","synchrotron","","0.0569","0.0401","","","0.092","0.1092","","","","","","1.149","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230769","11.08603","0.00018","8.4489","0.0004","8.2715","0.0003","90","","94.553","0.003","90","","772.3","0.05","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C5 H11 Cu N O6 -","- C5 H11 Cu N O6 -","- C20 H44 Cu4 N4 O24 -","4","0.5","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41108","synchrotron","","0.0734","0.0514","","","0.1259","0.1499","","","","","","1.082","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230770","8.25785","0.00019","8.25785","0.00019","22.5102","0.0006","90","","90","","120","","1329.36","0.06","293","2","293","2","","","","","","","","5","R -3 c","-R 3 2""c","167","","","","- C5 H11 Fe N O6 -","- C5 H10.9998 Fe N0.9999 O6 -","- C30 H65.9988 Fe6 N5.9994 O36 -","6","","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.4109","synchrotron","","0.0498","0.0394","","","0.1092","0.1239","","","","","","1.209","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230771","8.31888","0.00017","8.31888","0.00017","22.8731","0.0003","90","","90","","120","","1370.84","0.04","293","2","293","2","","","","","","","","5","R -3 c","-R 3 2""c","167","","","","- C5 H11 Mn N O6 -","- C5 H10.9998 Mn N0.9999 O6 -","- C30 H65.9988 Mn6 N5.9994 O36 -","6","","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41119","synchrotron","","0.0329","0.0277","","","0.0687","0.0758","","","","","","1.192","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230772","5.3066","0.0017","5.849","0.002","5.599","0.007","96.76","0.08","88.11","0.06","95.53","0.03","171.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C5 H11 Cu N O6 -","- C5 Cu N O6 -","- C5 Cu N O6 -","1","0.5","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41108","synchrotron","","0.1088","0.0872","","","0.2416","0.2522","","","","","","1.039","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230773","8.0626","0.0004","8.0626","0.0004","21.3349","0.0011","90","","90","","120","","1201.08","0.1","293","2","293","2","","","","","","","","5","R -3 c","-R 3 2""c","167","","","","- C5 H11 Fe N O6 -","- C5 H10.9998 Fe N0.9999 O6 -","- C30 H65.9988 Fe6 N5.9994 O36 -","6","","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41111","synchrotron","","0.0543","0.0433","","","0.0995","0.1118","","","","","","1.143","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230774","8.1069","0.0002","8.1069","0.0002","21.6257","0.0008","90","","90","","120","","1230.87","0.06","293","2","293","2","","","","","","","","5","R -3 c","-R 3 2""c","167","","","","- C5 H11 Fe N O6 -","- C5 H10.9998 Fe N0.9999 O6 -","- C30 H65.9988 Fe6 N5.9994 O36 -","6","","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41111","synchrotron","","0.0407","0.0351","","","0.0793","0.0863","","","","","","1.211","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230775","7.9888","0.001","7.9888","0.001","20.926","0.002","90","","90","","120","","1156.6","0.2","293","2","293","2","","","","","","","","5","R -3 c","-R 3 2""c","167","","","","- C5 H11 Fe N O6 -","- C5 H10.9998 Fe N0.9999 O6 -","- C30 H65.9988 Fe6 N5.9994 O36 -","6","","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41111","synchrotron","","0.0737","0.0549","","","0.1345","0.1556","","","","","","1.106","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230776","10.763","0.011","8.256","0.007","7.985","0.006","90.26","0.06","91.72","0.09","99.47","0.1","699.5","1.1","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C20 H44 Fe4 N4 O24 -","- C20 H44 Fe4 N4 O24 -","- C20 H44 Fe4 N4 O24 -","1","1","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41119","synchrotron","","0.1347","0.079","","","0.1867","0.2059","","","","","","1.038","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230777","8.0225","0.0006","8.0225","0.0006","21.1076","0.0016","90","","90","","120","","1176.49","0.15","293","2","293","2","","","","","","","","5","R -3 c","-R 3 2""c","167","","","","- C5 H11 Fe N O6 -","- C5 H10.9998 Fe N0.9999 O6 -","- C30 H65.9988 Fe6 N5.9994 O36 -","6","","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41111","synchrotron","","0.0648","0.0522","","","0.1165","0.1288","","","","","","1.123","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230778","7.9495","0.0007","7.9495","0.0007","20.5428","0.0013","90","","90","","120","","1124.27","0.16","293","2","293","2","","","","","","","","5","R -3 c","-R 3 2""c","167","","","","- C5 H11 Fe N O6 -","- C5 H10.9998 Fe N0.9999 O6 -","- C30 H65.9988 Fe6 N5.9994 O36 -","6","","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41111","synchrotron","","0.0601","0.0475","","","0.115","0.1301","","","","","","1.122","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230779","8.30764","0.00016","8.30764","0.00016","22.6507","0.0003","90","","90","","120","","1353.84","0.04","293","2","293","2","","","","","","","","5","R -3 c","-R 3 2""c","167","","","","- C5 H11 Mn N O6 -","- C5 H10.9998 Mn N0.9999 O6 -","- C30 H65.9988 Mn6 N5.9994 O36 -","6","","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41119","synchrotron","","0.0331","0.0281","","","0.0718","0.0794","","","","","","1.137","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230780","8.17987","0.00018","8.17987","0.00018","22.0315","0.0006","90","","90","","120","","1276.64","0.05","293","2","293","2","","","","","","","","5","R -3 c","-R 3 2""c","167","","","","- C5 H11 Fe N O6 -","- C5 H10.9998 Fe N0.9999 O6 -","- C30 H65.9988 Fe6 N5.9994 O36 -","6","","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41111","synchrotron","","0.0405","0.0351","","","0.0818","0.0894","","","","","","1.183","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230781","7.9763","0.0006","7.9763","0.0006","20.6525","0.0012","90","","90","","120","","1137.91","0.14","293","2","293","2","","","","","","","","5","R -3 c","-R 3 2""c","167","","","","- C5 H11 Fe N O6 -","- C5 H10.9998 Fe N0.9999 O6 -","- C30 H65.9988 Fe6 N5.9994 O36 -","6","","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41111","synchrotron","","0.051","0.0421","","","0.0998","0.1098","","","","","","1.093","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230782","11.3229","0.0005","8.5761","0.0008","8.6487","0.0008","90","","95.432","0.005","90","","836.07","0.12","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C5 H11 Cu N O6 -","- C5 H11 Cu N O6 -","- C20 H44 Cu4 N4 O24 -","4","0.5","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41108","synchrotron","","0.0498","0.0337","","","0.0786","0.0989","","","","","","1.146","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230783","11.16852","0.00013","8.4704","0.0003","8.3956","0.0002","90","","94.7845","0.0018","90","","791.47","0.04","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C5 H11 Cu N O6 -","- C5 H11 Cu N O6 -","- C20 H44 Cu4 N4 O24 -","4","0.5","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41108","synchrotron","","0.063","0.0457","","","0.1054","0.122","","","","","","1.111","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230784","7.9947","0.0002","7.9947","0.0002","20.7241","0.0005","90","","90","","120","","1147.12","0.05","293","2","293","2","","","","","","","","5","R -3 c","-R 3 2""c","167","","","","- C5 H11 Fe N O6 -","- C5 H10.9998 Fe N0.9999 O6 -","- C30 H65.9988 Fe6 N5.9994 O36 -","6","","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41119","synchrotron","","0.0419","0.0377","","","0.103","0.1074","","","","","","1.198","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230785","5.4239","0.0008","5.9107","0.0012","5.755","0.005","95.38","0.04","89.33","0.04","96.927","0.015","182.35","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C5 H11 Cu N O6 -","- C5 Cu N O6 -","- C5 Cu N O6 -","1","0.5","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41108","synchrotron","","0.1061","0.0732","","","0.1877","0.2012","","","","","","0.996","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230786","5.3901","0.0009","5.8969","0.0014","5.72","0.004","95.95","0.05","88.82","0.04","96.958","0.016","179.49","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C5 H11 Cu N O6 -","- C5 Cu N O6 -","- C5 Cu N O6 -","1","0.5","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41108","synchrotron","","0.0983","0.0743","","","0.1968","0.2072","","","","","","1.058","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230787","9.4626","0.001","12.2484","0.0014","12.7852","0.0013","84.367","0.009","71.2","0.009","74.329","0.01","1350.5","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H33 N7 O3 -","- C27 H33 N7 O3 -","- C54 H66 N14 O6 -","2","1","","Manna, Utsab; Das, Gopal","Cyclic (H2O)6confined hexameric host‒guest assemblies and aerial CO2fixation by electron-rich neutral urea/thiourea scaffolds","CrystEngComm","2018","20","26","3741","","10.1039/C8CE00611C","","","0.71073","MoKα","","0.1455","0.0772","","","0.1809","0.2272","","","","","","1.13","","","","has coordinates","228986","2020-10-21","18:00:00",""
"7230788","15.4695","0.0014","25.496","0.002","12.3469","0.0017","90","","94.928","0.01","90","","4851.7","0.9","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H71 N8 O7 P -","- C43 H71 N8 O7 P -","- C172 H284 N32 O28 P4 -","4","1","","Manna, Utsab; Das, Gopal","Cyclic (H2O)6confined hexameric host‒guest assemblies and aerial CO2fixation by electron-rich neutral urea/thiourea scaffolds","CrystEngComm","2018","20","26","3741","","10.1039/C8CE00611C","","","0.71073","MoKα","","0.201","0.0862","","","0.1711","0.233","","","","","","0.995","","","","has coordinates","228986","2020-10-21","18:00:00",""
"7230789","12.4753","0.0015","12.4982","0.0009","16.6285","0.0016","102.863","0.007","96.291","0.009","97.109","0.008","2482.9","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H72 N8 O2 S3 -","- C45 H72 N8 O2 S3 -","- C90 H144 N16 O4 S6 -","2","1","","Manna, Utsab; Das, Gopal","Cyclic (H2O)6confined hexameric host‒guest assemblies and aerial CO2fixation by electron-rich neutral urea/thiourea scaffolds","CrystEngComm","2018","20","26","3741","","10.1039/C8CE00611C","","","0.71073","MoKα","","0.1529","0.0815","","","0.1752","0.2219","","","","","","0.966","","","","has coordinates","228986","2020-10-21","18:00:00",""
"7230790","10.343","0.0009","22.987","0.004","20.053","0.002","90","","100.231","0.01","90","","4691.9","1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H69 Cl N8 S3 -","- C43 H69 Cl N8 S3 -","- C172 H276 Cl4 N32 S12 -","4","1","","Manna, Utsab; Das, Gopal","Cyclic (H2O)6confined hexameric host‒guest assemblies and aerial CO2fixation by electron-rich neutral urea/thiourea scaffolds","CrystEngComm","2018","20","26","3741","","10.1039/C8CE00611C","","","0.71073","MoKα","","0.3175","0.0986","","","0.1306","0.2023","","","","","","0.998","","","","has coordinates,has disorder","228986","2020-10-21","18:00:00",""
"7230791","30.643","0.004","13.4778","0.0016","23.218","0.003","90","","90","","90","","9589","2","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C87 H138 N16 O3 S6 -","- C87 H138 N16 O3 S6 -","- C348 H552 N64 O12 S24 -","4","1","","Manna, Utsab; Das, Gopal","Cyclic (H2O)6confined hexameric host‒guest assemblies and aerial CO2fixation by electron-rich neutral urea/thiourea scaffolds","CrystEngComm","2018","20","26","3741","","10.1039/C8CE00611C","","","0.71073","MoKα","","0.2414","0.0704","","","0.1383","0.1985","","","","","","0.933","","","","has coordinates,has disorder","228986","2020-10-21","18:00:00",""
"7230792","25.9879","0.0008","9.8507","0.0003","26.893","0.0011","90","","90","","90","","6884.6","0.4","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C54 H65 N14 S6 -","- C54 H65 N14 S6 -","- C216 H260 N56 S24 -","4","1","","Manna, Utsab; Das, Gopal","Cyclic (H2O)6confined hexameric host‒guest assemblies and aerial CO2fixation by electron-rich neutral urea/thiourea scaffolds","CrystEngComm","2018","20","26","3741","","10.1039/C8CE00611C","","","0.71073","MoKα","","0.0951","0.0715","","","0.191","0.2072","","","","","","1.1","","","","has coordinates","228986","2020-10-21","18:00:00",""
"7230793","30.977","0.006","13.483","0.003","23.39","0.005","90","","90","","90","","9769","4","298","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C86 H138 N16 O4 S7 -","- C86 H138 N16 O4 S7 -","- C344 H552 N64 O16 S28 -","4","1","","Manna, Utsab; Das, Gopal","Cyclic (H2O)6confined hexameric host‒guest assemblies and aerial CO2fixation by electron-rich neutral urea/thiourea scaffolds","CrystEngComm","2018","20","26","3741","","10.1039/C8CE00611C","","","0.71073","MoKα","","0.1776","0.0662","","","0.153","0.2066","","","","","","0.902","","","","has coordinates,has disorder","228986","2020-10-21","18:00:00",""
"7230794","13.85","0.001","13.85","0.001","43.014","0.004","90","","90","","120","","7145.6","1","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C43 H66 F N8 O6 -","- C42.9983 H66 F N8 O6 -","- C257.99 H396 F6 N48 O36 -","6","0.333333","","Manna, Utsab; Das, Gopal","Cyclic (H2O)6confined hexameric host‒guest assemblies and aerial CO2fixation by electron-rich neutral urea/thiourea scaffolds","CrystEngComm","2018","20","26","3741","","10.1039/C8CE00611C","","","0.71073","MoKα","","0.1189","0.0821","","","0.2513","0.2837","","","","","","1.18","","","","has coordinates,has disorder","228986","2020-10-21","18:00:00",""
"7230795","4.8172","0.0001","9.6864","0.0003","11.2302","0.0003","90","","96.724","0.003","90","","520.41","0.02","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","sulfanilamid sulfamic acid salt","4-aminobenzenosulfonamid sulfamic acid salt","","- C6 H11 N3 O5 S2 -","- C6 H11 N3 O5 S2 -","- C12 H22 N6 O10 S4 -","2","1","","Wojnarska, Joanna; Gryl, Marlena; Seidler, Tomasz; Stadnicka, Katarzyna M.","Crystal engineering, optical properties and electron density distribution of polar multicomponent materials containing sulfanilamide","CrystEngComm","2018","20","26","3638","","10.1039/C8CE00568K","","x-ray","0.71073","MoKα","","0.0474","0.0364","","","0.0766","0.0852","","","","","","1.058","","","","has coordinates","228988","2020-10-21","18:00:00",""
"7230796","17.2685","0.0004","6.2883","0.0002","7.9171","0.0002","90","","97.627","0.003","90","","852.11","0.04","298","2","298","2","","","","","","","","5","P 1 c 1","P -2yc","7","sulfanilamide (4-sulfamoyl-phenyl)oxalamic acid salt","4-aminobenzenesulfonamide (4-sulfamoyl-phenyl)oxalamic acid salt","","- C14 H16 N4 O7 S2 -","- C14 H16 N4 O7 S2 -","- C28 H32 N8 O14 S4 -","2","1","","Wojnarska, Joanna; Gryl, Marlena; Seidler, Tomasz; Stadnicka, Katarzyna M.","Crystal engineering, optical properties and electron density distribution of polar multicomponent materials containing sulfanilamide","CrystEngComm","2018","20","26","3638","","10.1039/C8CE00568K","","x-ray","0.71073","MoKα","","0.0601","0.0385","","","0.0886","0.0926","","","","","","0.965","","","","has coordinates","228988","2020-10-21","18:00:00",""
"7230806","14.5906","0.0001","14.5906","0.0001","32.7775","0.0005","90","","90","","120","","6043","0.11","293","","293","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C2 H10 I4 N2 O0.042 Pb -","- C2 H10 I4 N2 O0.0422333 Pb -","- C36 H180 I72 N36 O0.7602 Pb18 -","18","1","","Glushkova, Anastasiia; Arakcheeva, Alla; Pattison, Philip; Kollár, Márton; Andričević, Pavao; Náfrádi, Bálint; Forró, László; Horváth, Endre","Influence of the organic cation disorder on photoconductivity in ethylenediammonium lead iodide, NH3CH2CH2NH3PbI4","CrystEngComm","2018","20","25","3543","","10.1039/C8CE00259B","","x-ray","0.7129","synchrotron","","0.0399","0.0315","","","0.0364","0.0378","","","","1.66","1.66","1.49","","","","has coordinates","229035","2020-10-21","18:00:00",""
"7230807","14.5645","0.0001","14.5645","0.0001","32.7195","0.0004","90","","90","","120","","6010.75","0.09","293","","293","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C2 H10 I4 N2 O0.042 Pb -","- C2 H10 I4 N2 O0.0423333 Pb -","- C36 H180 I72 N36 O0.762 Pb18 -","18","1","","Glushkova, Anastasiia; Arakcheeva, Alla; Pattison, Philip; Kollár, Márton; Andričević, Pavao; Náfrádi, Bálint; Forró, László; Horváth, Endre","Influence of the organic cation disorder on photoconductivity in ethylenediammonium lead iodide, NH3CH2CH2NH3PbI4","CrystEngComm","2018","20","25","3543","","10.1039/C8CE00259B","","x-ray","0.7129","synchrotron","","0.0448","0.0389","","","0.0467","0.048","","","","2","2","1.85","","","","has coordinates","229035","2020-10-21","18:00:00",""
"7230808","5.7015","0.0005","8.4154","0.0008","10.3538","0.0008","90","","90.374","0.003","90","","496.77","0.07","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","succinic acid","1,4-Butanedioic acid","","- C4 H6 O4 -","- C4 H6 O4 -","- C16 H24 O16 -","4","0.5","","Lucaioli, Paolo; Nauha, Elisa; Gimondi, Ilaria; Price, Louise S.; Guo, Rui; Iuzzolino, Luca; Singh, Ishwar; Salvalaglio, Matteo; Price, Sarah L.; Blagden, Nicholas","Serendipitous isolation of a disappearing conformational polymorph of succinic acid challenges computational polymorph prediction","CrystEngComm","2018","20","28","3971","","10.1039/C8CE00625C","","","0.71073","MoKα","","0.0734","0.0472","","","0.0818","0.0887","","","","","","1.095","","","","has coordinates","228880","2020-10-21","18:00:00",""
"7230809","11.3126","0.0005","5.5869","0.0003","9.6891","0.0004","90","","92.866","0.002","90","","611.61","0.05","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","mono-methyl hydrogen succinate","","- C5 H8 O4 -","- C5 H8 O4 -","- C20 H32 O16 -","4","1","","Lucaioli, Paolo; Nauha, Elisa; Gimondi, Ilaria; Price, Louise S.; Guo, Rui; Iuzzolino, Luca; Singh, Ishwar; Salvalaglio, Matteo; Price, Sarah L.; Blagden, Nicholas","Serendipitous isolation of a disappearing conformational polymorph of succinic acid challenges computational polymorph prediction","CrystEngComm","2018","20","28","3971","","10.1039/C8CE00625C","","","1.54178","CuKα","","0.0598","0.0524","","","0.1194","0.1219","","","","","","1.257","","","","has coordinates","228880","2020-10-21","18:00:00",""
"7230811","11.9094","0.0003","15.1853","0.0003","18.4828","0.0005","88.647","0.002","78.856","0.002","74.191","0.002","3154.01","0.14","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H76 N4 Ni4 O12 -","- C68 H76.005 N4 Ni4 O12 -","- C136 H152.01 N8 Ni8 O24 -","2","1","","Torić, Filip; Pavlović, Gordana; Pajić, Damir; Cindrić, Marina; Zadro, Krešo","Tetranuclear Ni4 cubane complexes with high χT maxima: magneto-structural analysis","CrystEngComm","2018","20","27","3917","","10.1039/C8CE00566D","","","0.71073","MoKα","","0.0602","0.0422","","","0.0974","0.1073","","","","","","1.043","","","","has coordinates,has disorder","228910","2020-10-21","18:00:00",""
"7230812","14.847","0.0006","15.4487","0.0004","16.1018","0.0006","93.526","0.003","107.126","0.004","93.972","0.003","3508","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C75 H90 N4 Ni4 O12 -","- C75 H87 N4 Ni4 O12 -","- C150 H174 N8 Ni8 O24 -","2","1","","Torić, Filip; Pavlović, Gordana; Pajić, Damir; Cindrić, Marina; Zadro, Krešo","Tetranuclear Ni4 cubane complexes with high χT maxima: magneto-structural analysis","CrystEngComm","2018","20","27","3917","","10.1039/C8CE00566D","","","0.71073","MoKα","","0.0944","0.0581","","","0.1425","0.1658","","","","","","1.063","","","","has coordinates,has disorder","228910","2020-10-21","18:00:00",""
"7230813","12.2971","0.0005","15.3346","0.0005","18.3875","0.0006","87.653","0.003","76.413","0.003","73.288","0.003","3226.6","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C71 H82 N4 Ni4 O12 -","- C71 H82 N4 Ni4 O12 -","- C142 H164 N8 Ni8 O24 -","2","1","","Torić, Filip; Pavlović, Gordana; Pajić, Damir; Cindrić, Marina; Zadro, Krešo","Tetranuclear Ni4 cubane complexes with high χT maxima: magneto-structural analysis","CrystEngComm","2018","20","27","3917","","10.1039/C8CE00566D","","","0.71073","MoKα","","0.1201","0.0651","","","0.1431","0.1666","","","","","","0.992","","","","has coordinates","228910","2020-10-21","18:00:00",""
"7230814","12.2447","0.0017","15.152","0.002","18.04","0.003","86.793","0.011","81.407","0.012","74.996","0.012","3196.1","0.8","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C69 H78 N4 Ni4 O12 -","- C69 H78 N4 Ni4 O12 -","- C138 H156 N8 Ni8 O24 -","2","1","","Torić, Filip; Pavlović, Gordana; Pajić, Damir; Cindrić, Marina; Zadro, Krešo","Tetranuclear Ni4 cubane complexes with high χT maxima: magneto-structural analysis","CrystEngComm","2018","20","27","3917","","10.1039/C8CE00566D","","","0.71073","MoKα","","0.1227","0.0734","","","0.1586","0.1852","","","","","","0.992","","","","has coordinates","228910","2020-10-21","18:00:00",""
"7230815","14.9036","0.0004","15.4605","0.0003","16.1648","0.0004","93.592","0.002","106.783","0.002","94.242","0.002","3542.43","0.15","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H97 N4 Ni4 O12 -","- C76 H83 N4 Ni4 O12 -","- C152 H166 N8 Ni8 O24 -","2","1","","Torić, Filip; Pavlović, Gordana; Pajić, Damir; Cindrić, Marina; Zadro, Krešo","Tetranuclear Ni4 cubane complexes with high χT maxima: magneto-structural analysis","CrystEngComm","2018","20","27","3917","","10.1039/C8CE00566D","","","0.71073","MoKα","","0.0797","0.0532","","","0.136","0.1551","","","","","","1.046","","","","has coordinates,has disorder","228910","2020-10-21","18:00:00",""
"7230816","21.5244","0.0003","20.8865","0.0003","14.2593","0.0002","90","","98.504","0.002","90","","6340.06","0.16","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H76 N4 Ni4 O12 -","- C68 H76 N4 Ni4 O12 -","- C272 H304 N16 Ni16 O48 -","4","1","","Torić, Filip; Pavlović, Gordana; Pajić, Damir; Cindrić, Marina; Zadro, Krešo","Tetranuclear Ni4 cubane complexes with high χT maxima: magneto-structural analysis","CrystEngComm","2018","20","27","3917","","10.1039/C8CE00566D","","","0.71073","MoKα","","0.0707","0.0448","","","0.0932","0.1037","","","","","","1.051","","","","has coordinates,has disorder","228910","2020-10-21","18:00:00",""
"7230817","12.5096","0.0004","15.2713","0.0006","18.3851","0.0009","88.708","0.004","76.212","0.004","74.125","0.003","3277.5","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H84 N4 Ni4 O12 -","- C72 H84 N4 Ni4 O12 -","- C144 H168 N8 Ni8 O24 -","2","1","","Torić, Filip; Pavlović, Gordana; Pajić, Damir; Cindrić, Marina; Zadro, Krešo","Tetranuclear Ni4 cubane complexes with high χT maxima: magneto-structural analysis","CrystEngComm","2018","20","27","3917","","10.1039/C8CE00566D","","","0.71073","MoKα","","0.06","0.0417","","","0.0986","0.1095","","","","","","1.043","","","","has coordinates","228910","2020-10-21","18:00:00",""
"7230823","28.625","0.005","16.4514","0.0014","16.8783","0.001","90","","90","","90","","7948.4","1.6","295","","295","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C28 H16 Cl2 Co F16 I4 N4 -","- C28 H16 Cl2 Co F16 I4 N4 -","- C224 H128 Cl16 Co8 F128 I32 N32 -","8","1","","Lisac, Katarina; Cinčić, Dominik","Simple design for metal-based halogen-bonded cocrystals utilizing the M‒Cl⋯I motif","CrystEngComm","2018","20","39","5955","","10.1039/C8CE00754C","","","0.71073","MoKα","","0.0671","0.0328","","","0.0623","0.0665","","","","","","0.8","","","","has coordinates","228977","2020-10-21","18:00:00",""
"7230824","16.5798","0.0017","15.3912","0.0009","16.652","0.002","90","","119.758","0.016","90","","3688.9","0.9","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H16 Cl2 Co F8 I4 N4 -","- C32 H16 Cl2 Co F8 I4 N4 -","- C128 H64 Cl8 Co4 F32 I16 N16 -","4","0.5","","Lisac, Katarina; Cinčić, Dominik","Simple design for metal-based halogen-bonded cocrystals utilizing the M‒Cl⋯I motif","CrystEngComm","2018","20","39","5955","","10.1039/C8CE00754C","","","0.71073","MoKα","","0.0551","0.0302","","","0.0591","0.0619","","","","","","0.836","","","","has coordinates","228977","2020-10-21","18:00:00",""
"7230825","13.4604","0.0009","23.4681","0.0015","9.7735","0.0009","90","","102.252","0.007","90","","3017","0.4","295","","295","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H16 Cl2 Co F4 I2 N4 -","- C30 H16 Cl2 Co F4 I2 N4 -","- C120 H64 Cl8 Co4 F16 I8 N16 -","4","1","","Lisac, Katarina; Cinčić, Dominik","Simple design for metal-based halogen-bonded cocrystals utilizing the M‒Cl⋯I motif","CrystEngComm","2018","20","39","5955","","10.1039/C8CE00754C","","","0.71073","MoKα","","0.1068","0.0474","","","0.0623","0.0795","","","","","","0.996","","","","has coordinates","228977","2020-10-21","18:00:00",""
"7230826","14.5049","0.0005","8.5031","0.0004","30.2853","0.0013","90","","90","","90","","3735.3","0.3","295","","295","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C32 H16 Cl2 Co F8 I4 N4 -","- C32 H16 Cl2 Co F8 I4 N4 -","- C128 H64 Cl8 Co4 F32 I16 N16 -","4","0.5","","Lisac, Katarina; Cinčić, Dominik","Simple design for metal-based halogen-bonded cocrystals utilizing the M‒Cl⋯I motif","CrystEngComm","2018","20","39","5955","","10.1039/C8CE00754C","","","0.71073","MoKα","","0.0494","0.0288","","","0.0551","0.0577","","","","","","0.858","","","","has coordinates","228977","2020-10-21","18:00:00",""
"7230827","7.9892","0.0004","13.5176","0.0007","33.897","0.002","90","","92.075","0.005","90","","3658.3","0.3","295","","295","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H16 Cl2 Co F10 I2 N4 -","- C36 H16 Cl2 Co F10 I2 N4 -","- C144 H64 Cl8 Co4 F40 I8 N16 -","4","0.5","","Lisac, Katarina; Cinčić, Dominik","Simple design for metal-based halogen-bonded cocrystals utilizing the M‒Cl⋯I motif","CrystEngComm","2018","20","39","5955","","10.1039/C8CE00754C","","","0.71073","MoKα","","0.0563","0.0338","","","0.0534","0.0598","","","","","","1.053","","","","has coordinates","228977","2020-10-21","18:00:00",""
"7230828","13.7036","0.0012","15.5273","0.001","15.8979","0.0011","90","","111.746","0.009","90","","3142","0.5","295","","295","","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C28 H16 Cl2 Co F8 I2 N4 -","- C28 H16 Cl2 Co F8 I2 N4 -","- C112 H64 Cl8 Co4 F32 I8 N16 -","4","0.5","","Lisac, Katarina; Cinčić, Dominik","Simple design for metal-based halogen-bonded cocrystals utilizing the M‒Cl⋯I motif","CrystEngComm","2018","20","39","5955","","10.1039/C8CE00754C","","","0.71073","MoKα","","0.0713","0.0599","","","0.1486","0.1582","","","","","","1.074","","","","has coordinates","228977","2020-10-21","18:00:00",""
"7230829","8.2507","0.0006","12.9627","0.0013","32.399","0.002","90","","92.121","0.006","90","","3462.7","0.5","295","","295","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H16 Cl2 Co F10 I2 N4 -","- C32 H16 Cl2 Co F10 I2 N4 -","- C128 H64 Cl8 Co4 F40 I8 N16 -","4","0.5","","Lisac, Katarina; Cinčić, Dominik","Simple design for metal-based halogen-bonded cocrystals utilizing the M‒Cl⋯I motif","CrystEngComm","2018","20","39","5955","","10.1039/C8CE00754C","","","0.71073","MoKα","","0.0566","0.045","","","0.0702","0.0736","","","","","","1.172","","","","has coordinates","228977","2020-10-21","18:00:00",""
"7230830","7.8226","0.0006","25.788","0.002","14.3532","0.0009","90","","99.146","0.007","90","","2858.6","0.4","295","","295","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H16 Cl2 Co F4 I2 N4 -","- C26 H16 Cl2 Co F4 I2 N4 -","- C104 H64 Cl8 Co4 F16 I8 N16 -","4","1","","Lisac, Katarina; Cinčić, Dominik","Simple design for metal-based halogen-bonded cocrystals utilizing the M‒Cl⋯I motif","CrystEngComm","2018","20","39","5955","","10.1039/C8CE00754C","","","0.71073","MoKα","","0.107","0.0474","","","0.0812","0.106","","","","","","0.911","","","","has coordinates","228977","2020-10-21","18:00:00",""
"7230831","12.687","0.0008","14.1661","0.001","16.011","0.0012","90","","104.732","0.007","90","","2783","0.3","295","","295","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 Cl2 Co F4 I2 N4 -","- C26 H16 Cl2 Co F4 I2 N4 -","- C104 H64 Cl8 Co4 F16 I8 N16 -","4","1","","Lisac, Katarina; Cinčić, Dominik","Simple design for metal-based halogen-bonded cocrystals utilizing the M‒Cl⋯I motif","CrystEngComm","2018","20","39","5955","","10.1039/C8CE00754C","","","0.71073","MoKα","","0.0982","0.0476","","","0.0759","0.0938","","","","","","0.995","","","","has coordinates","228977","2020-10-21","18:00:00",""
"7230832","8.5903","0.0005","12.701","0.0007","16.295","0.0011","69.852","0.006","88.6","0.005","84.665","0.005","1661.79","0.19","295","","295","","","","","","","","","8","P -1","-P 1","2","","","","- C28 H22 Cl2 Co F3 I3 N4 O -","- C28 H22 Cl2 Co F3 I3 N4 O -","- C56 H44 Cl4 Co2 F6 I6 N8 O2 -","2","1","","Lisac, Katarina; Cinčić, Dominik","Simple design for metal-based halogen-bonded cocrystals utilizing the M‒Cl⋯I motif","CrystEngComm","2018","20","39","5955","","10.1039/C8CE00754C","","","0.71073","MoKα","","0.1091","0.035","","","0.0417","0.0478","","","","","","0.646","","","","has coordinates,has disorder","228977","2020-10-21","18:00:00",""
"7230833","9.576","0.0004","13.1124","0.0006","21.2891","0.001","100.877","0.004","99.44","0.004","96.238","0.004","2562.5","0.2","295","","295","","","","","","","","","7","P -1","-P 1","2","","","","- C42 H16 Cl2 Co F9 I9 N4 -","- C42 H16 Cl2 Co F9 I9 N4 -","- C84 H32 Cl4 Co2 F18 I18 N8 -","2","1","","Lisac, Katarina; Cinčić, Dominik","Simple design for metal-based halogen-bonded cocrystals utilizing the M‒Cl⋯I motif","CrystEngComm","2018","20","39","5955","","10.1039/C8CE00754C","","","0.71073","MoKα","","0.0858","0.0485","","","0.0973","0.1161","","","","","","1.028","","","","has coordinates","228977","2020-10-21","18:00:00",""
"7230834","8.1204","0.0007","13.9649","0.0008","14.147","0.0007","99.902","0.004","100.089","0.005","105.734","0.006","1478.96","0.18","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H16 Cl2 Co F4 I2 N4 -","- C30 H16 Cl2 Co F4 I2 N4 -","- C60 H32 Cl4 Co2 F8 I4 N8 -","2","1","","Lisac, Katarina; Cinčić, Dominik","Simple design for metal-based halogen-bonded cocrystals utilizing the M‒Cl⋯I motif","CrystEngComm","2018","20","39","5955","","10.1039/C8CE00754C","","","0.71073","MoKα","","0.0735","0.0382","","","0.0696","0.0744","","","","","","0.806","","","","has coordinates","228977","2020-10-21","18:00:00",""
"7230835","20.6757","0.0004","10.9903","0.0002","11.8544","0.0002","90","","90","","90","","2693.7","0.08","100","2","100","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C18 H44 N4 O P2 S Se2 -","- C18 H44 N4 O P2 S Se2 -","- C72 H176 N16 O4 P8 S4 Se8 -","4","0.5","","Tan, Davin; Ng, Zi Xuan; Sim, Ying; Ganguly, Rakesh; García, Felipe","cis-Cyclodiphosph(v/v)azanes as highly stable and robust main group supramolecular building blocks","CrystEngComm","2018","20","39","5998","","10.1039/C8CE00395E","","","0.71073","MoKα","","0.0224","0.0187","","","0.0442","0.0456","","","","","","1.024","","","","has coordinates,has disorder","228981","2020-10-21","18:00:00",""
"7230836","50.3437","0.0018","17.142","0.0005","10.2119","0.0003","90","","90","","90","","8812.8","0.5","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C57 H138 N18 O3 P6 Se6 -","- C57 H138 N18 O3 P6 Se6 -","- C228 H552 N72 O12 P24 Se24 -","4","1","","Tan, Davin; Ng, Zi Xuan; Sim, Ying; Ganguly, Rakesh; García, Felipe","cis-Cyclodiphosph(v/v)azanes as highly stable and robust main group supramolecular building blocks","CrystEngComm","2018","20","39","5998","","10.1039/C8CE00395E","","","0.71073","MoKα","","0.0403","0.0293","","","0.0556","0.0586","","","","","","1.013","","","","has coordinates,has disorder","228981","2020-10-21","18:00:00",""
"7230837","10.6563","0.0006","11.7263","0.0006","21.0354","0.001","90","","91.8","0.002","90","","2627.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H41 N5 P2 Se2 -","- C18 H41 N5 P2 Se2 -","- C72 H164 N20 P8 Se8 -","4","1","","Tan, Davin; Ng, Zi Xuan; Sim, Ying; Ganguly, Rakesh; García, Felipe","cis-Cyclodiphosph(v/v)azanes as highly stable and robust main group supramolecular building blocks","CrystEngComm","2018","20","39","5998","","10.1039/C8CE00395E","","","0.71073","MoKα","","0.1048","0.0521","","","0.1108","0.1343","","","","","","1.06","","","","has coordinates","228981","2020-10-21","18:00:00",""
"7230838","21.8437","0.0006","10.7274","0.0003","11.5787","0.0004","90","","90","","90","","2713.19","0.14","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C19 H44 N5 O P2 Se2 -","- C19 H44 N5 O P2 Se2 -","- C76 H176 N20 O4 P8 Se8 -","4","0.5","","Tan, Davin; Ng, Zi Xuan; Sim, Ying; Ganguly, Rakesh; García, Felipe","cis-Cyclodiphosph(v/v)azanes as highly stable and robust main group supramolecular building blocks","CrystEngComm","2018","20","39","5998","","10.1039/C8CE00395E","","","0.71073","MoKα","","0.0278","0.0223","","","0.0509","0.0527","","","","","","1.073","","","","has coordinates,has disorder","228981","2020-10-21","18:00:00",""
"7230839","9.151","0.0002","16.1119","0.0003","11.5547","0.0002","90","","112.908","0.0007","90","","1569.26","0.05","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C22 H38 Br2 F4 N4 P2 Se2 -","- C22 H37.5 Br2 F4 N4 P2 Se2 -","- C44 H75 Br4 F8 N8 P4 Se4 -","2","0.5","","Tan, Davin; Ng, Zi Xuan; Sim, Ying; Ganguly, Rakesh; García, Felipe","cis-Cyclodiphosph(v/v)azanes as highly stable and robust main group supramolecular building blocks","CrystEngComm","2018","20","39","5998","","10.1039/C8CE00395E","","","0.71073","MoKα","","0.0321","0.0235","","","0.0499","0.0521","","","","","","1.027","","","","has coordinates,has disorder","228981","2020-10-21","18:00:00",""
"7230840","17.5948","0.0003","17.2259","0.0003","18.9346","0.0004","90","","91.9478","0.0008","90","","5735.5","0.19","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H46 N6 O P2 Se2 -","- C19 H46 N6 O P2 Se2 -","- C152 H368 N48 O8 P16 Se16 -","8","2","","Tan, Davin; Ng, Zi Xuan; Sim, Ying; Ganguly, Rakesh; García, Felipe","cis-Cyclodiphosph(v/v)azanes as highly stable and robust main group supramolecular building blocks","CrystEngComm","2018","20","39","5998","","10.1039/C8CE00395E","","","0.71073","MoKα","","0.0685","0.0347","","","0.0625","0.0722","","","","","","1.004","","","","has coordinates","228981","2020-10-21","18:00:00",""
"7230841","11.2306","0.0005","15.1878","0.0006","15.8046","0.0006","90","","107.635","0.0014","90","","2569.07","0.18","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H42 N4 O P2 Se2 -","- C17 H42 N4 O P2 Se2 -","- C68 H168 N16 O4 P8 Se8 -","4","1","","Tan, Davin; Ng, Zi Xuan; Sim, Ying; Ganguly, Rakesh; García, Felipe","cis-Cyclodiphosph(v/v)azanes as highly stable and robust main group supramolecular building blocks","CrystEngComm","2018","20","39","5998","","10.1039/C8CE00395E","","","0.71073","MoKα","","0.0826","0.0406","","","0.078","0.0898","","","","","","1.007","","","","has coordinates","228981","2020-10-21","18:00:00",""
"7230842","16.1729","0.0003","23.0961","0.0003","33.2406","0.0005","90","","90","","90","","12416.4","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H51 N7 P2 Se2 -","- C21 H51 N7 P2 Se2 -","- C336 H816 N112 P32 Se32 -","16","2","","Tan, Davin; Ng, Zi Xuan; Sim, Ying; Ganguly, Rakesh; García, Felipe","cis-Cyclodiphosph(v/v)azanes as highly stable and robust main group supramolecular building blocks","CrystEngComm","2018","20","39","5998","","10.1039/C8CE00395E","","","0.71073","MoKα","","0.0904","0.0412","","","0.0694","0.0842","","","","","","1.007","","","","has coordinates","228981","2020-10-21","18:00:00",""
"7230843","20.57","0.003","11.104","0.002","12.117","0.002","90","","90","","90","","2767.6","0.8","240","2","240","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C19 H44 N4 O P2 Se2 -","- C19 H43 N4 O P2 Se2 -","- C76 H172 N16 O4 P8 Se8 -","4","0.5","","Tan, Davin; Ng, Zi Xuan; Sim, Ying; Ganguly, Rakesh; García, Felipe","cis-Cyclodiphosph(v/v)azanes as highly stable and robust main group supramolecular building blocks","CrystEngComm","2018","20","39","5998","","10.1039/C8CE00395E","","","0.71073","MoKα","","0.0785","0.0384","","","0.0849","0.1037","","","","","","0.984","","","","has coordinates,has disorder","228981","2020-10-21","18:00:00",""
"7230844","7.6381","0.0005","8.0021","0.0005","8.1572","0.0005","109.201","0.004","105.966","0.004","109.054","0.004","402.13","0.05","173","2","173","2","","","","","","","","4","P -1","-P 1","2","phthalonitrile","","","- C8 H3 I N2 -","- C8 H3 I N2 -","- C16 H6 I2 N4 -","2","1","","Ateş, Özge Dilara; Zorlu, Yunus; Kanmazalp, Sibel Demir; Chumakov, Yurii; Gürek, Ayşe Gül; Ayhan, Mehmet Menaf","Halogen bonding driven crystal engineering of iodophthalonitrile derivatives","CrystEngComm","2018","20","27","3858","","10.1039/C8CE00594J","","","0.71073","MoKα","","0.0382","0.0368","","","0.0918","0.0928","","","","","","1.059","","","","has coordinates","228912","2020-10-21","18:00:00",""
"7230845","6.9085","0.0006","7.7205","0.0005","9.6719","0.0007","93.192","0.003","110.609","0.004","94.05","0.003","479.86","0.06","173","2","173","2","","","","","","","","4","P -1","-P 1","2","Phthalonitrile","","","- C8 H2 I2 N2 -","- C8 H2 I2 N2 -","- C16 H4 I4 N4 -","2","1","","Ateş, Özge Dilara; Zorlu, Yunus; Kanmazalp, Sibel Demir; Chumakov, Yurii; Gürek, Ayşe Gül; Ayhan, Mehmet Menaf","Halogen bonding driven crystal engineering of iodophthalonitrile derivatives","CrystEngComm","2018","20","27","3858","","10.1039/C8CE00594J","","","0.71073","MoKα","","0.0617","0.0586","","","0.1776","0.1784","","","","","","1.159","","","","has coordinates","228912","2020-10-21","18:00:00",""
"7230846","7.9954","0.0006","15.2187","0.0011","7.5106","0.0005","90","","116.649","0.004","90","","816.81","0.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","phthalonitrile","","","- C8 H3 I N2 -","- C8 H3 I N2 -","- C32 H12 I4 N8 -","4","1","","Ateş, Özge Dilara; Zorlu, Yunus; Kanmazalp, Sibel Demir; Chumakov, Yurii; Gürek, Ayşe Gül; Ayhan, Mehmet Menaf","Halogen bonding driven crystal engineering of iodophthalonitrile derivatives","CrystEngComm","2018","20","27","3858","","10.1039/C8CE00594J","","","0.71073","MoKα","","0.0486","0.0403","","","0.1021","0.1067","","","","","","1.054","","","","has coordinates","228912","2020-10-21","18:00:00",""
"7230847","21.305","0.007","4.1552","0.0014","21.526","0.007","90","","95.091","0.009","90","","1898.1","1.1","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Phthalonitrile","","","- C8 H2 I2 N2 -","- C8 H2 I2 N2 -","- C64 H16 I16 N16 -","8","2","","Ateş, Özge Dilara; Zorlu, Yunus; Kanmazalp, Sibel Demir; Chumakov, Yurii; Gürek, Ayşe Gül; Ayhan, Mehmet Menaf","Halogen bonding driven crystal engineering of iodophthalonitrile derivatives","CrystEngComm","2018","20","27","3858","","10.1039/C8CE00594J","","","0.71073","MoKα","","0.0999","0.0682","","","0.1604","0.1788","","","","","","0.982","","","","has coordinates","228912","2020-10-21","18:00:00",""
"7230851","9.4289","0.0007","38.395","0.003","9.9447","0.0007","90","","107.876","0.001","90","","3426.4","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","tetracarbonyl-bis(triphenylphosphine)-molybdenum","","- C40 H30 Mo O4 P2 -","- C40 H30 Mo O4 P2 -","- C160 H120 Mo4 O16 P8 -","4","1","","Tshabang, Never; Makgatle, Gaone P.; Bourne, Susan A.; Kann, Nina; Evans, Jack D.; Coudert, François-Xavier; Öhrström, Lars","Conformational chiral polymorphism in cis-bis-triphenylphosphine complexes of transition metals","CrystEngComm","2018","20","35","5137","","10.1039/C8CE00337H","","","0.71073","MoKα","","0.0627","0.0392","","","0.0771","0.0857","","","","","","1.016","","","","has coordinates","229128","2020-10-21","18:00:00",""
"7230852","10.9175","0.0002","11.1262","0.0002","11.6716","0.0002","92.504","0.001","96.84","0.001","91.789","0.001","1405.37","0.04","563","2","563","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H26 Br2 N2 O2 -","- C32 H26 Br2 N2 O2 -","- C64 H52 Br4 N4 O4 -","2","1","","Grobelny, Anna L.; Rath, Nigam P.; Groeneman, Ryan H.","Varying the regiochemistry of a [2 + 2] cycloaddition reaction within isostructural hydrogen bonded cocrystals containing 4-stilbazole","CrystEngComm","2018","20","28","3951","","10.1039/C8CE00447A","","","0.71073","MoKα","","0.0699","0.0362","","","0.0844","0.096","","","","","","0.958","","","","has coordinates","228881","2020-10-21","18:00:00",""
"7230853","10.902","0.0005","11.0152","0.0005","11.5729","0.0005","80.9869","0.0012","89.8172","0.0012","88.0995","0.0014","1371.85","0.11","299","2","299","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H26 Cl2 N2 O2 -","- C32 H26 Cl2 N2 O2 -","- C64 H52 Cl4 N4 O4 -","2","1","","Grobelny, Anna L.; Rath, Nigam P.; Groeneman, Ryan H.","Varying the regiochemistry of a [2 + 2] cycloaddition reaction within isostructural hydrogen bonded cocrystals containing 4-stilbazole","CrystEngComm","2018","20","28","3951","","10.1039/C8CE00447A","","","0.71073","MoKα","","0.0636","0.0402","","","0.0906","0.1034","","","","","","1.027","","","","has coordinates","228881","2020-10-21","18:00:00",""
"7230854","18.9319","0.0013","9.4899","0.0006","14.4526","0.001","90","","90","","90","","2596.6","0.3","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C32 H26 Cl2 N2 O2 -","- C32 H26 Cl2 N2 O2 -","- C128 H104 Cl8 N8 O8 -","4","1","","Grobelny, Anna L.; Rath, Nigam P.; Groeneman, Ryan H.","Varying the regiochemistry of a [2 + 2] cycloaddition reaction within isostructural hydrogen bonded cocrystals containing 4-stilbazole","CrystEngComm","2018","20","28","3951","","10.1039/C8CE00447A","","","0.71073","MoKα","","0.0801","0.0532","","","0.0962","0.107","","","","","","1.027","","","","has coordinates","228881","2020-10-21","18:00:00",""
"7230855","17.251","0.002","9.2852","0.0011","17.34","0.002","90","","97.35","0.003","90","","2754.7","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 Br2 N2 O2 -","- C32 H26 Br2 N2 O2 -","- C128 H104 Br8 N8 O8 -","4","1","","Grobelny, Anna L.; Rath, Nigam P.; Groeneman, Ryan H.","Varying the regiochemistry of a [2 + 2] cycloaddition reaction within isostructural hydrogen bonded cocrystals containing 4-stilbazole","CrystEngComm","2018","20","28","3951","","10.1039/C8CE00447A","","","0.71073","MoKα","","0.1206","0.0693","","","0.1532","0.1735","","","","","","1.06","","","","has coordinates","228881","2020-10-21","18:00:00",""
"7230856","10.536","0.002","10.734","0.0014","10.9542","0.0019","88.266","0.012","64.71","0.02","82.158","0.014","1109.1","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C46.6 H28 Cl2 Co N8 O10.6 -","- C46.6 H28 Cl2 Co N8 O10.6 -","- C46.6 H28 Cl2 Co N8 O10.6 -","1","0.5","","Li, Guo-Bi; Yang, Qing-Yuan; Pan, Rong-Kai; Liu, Sheng-Gui","Diverse cobalt(ii) coordination polymers for water/ethanol separation and luminescence for water sensing applications","CrystEngComm","2018","20","27","3891","","10.1039/C8CE00709H","","","1.54178","CuKα","","0.0707","0.0601","","","0.1802","0.2016","","","","","","1.057","","","","has coordinates","228915","2020-10-21","18:00:00",""
"7230857","17.0537","0.0005","13.2958","0.0004","15.2889","0.0004","90","","103.065","0.003","90","","3376.91","0.17","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33.8 H21 Co N8 O12.8 -","- C33.8 H21 Co N8 O12.8 -","- C135.2 H84 Co4 N32 O51.2 -","4","1","","Li, Guo-Bi; Yang, Qing-Yuan; Pan, Rong-Kai; Liu, Sheng-Gui","Diverse cobalt(ii) coordination polymers for water/ethanol separation and luminescence for water sensing applications","CrystEngComm","2018","20","27","3891","","10.1039/C8CE00709H","","","0.71073","MoKα","","0.0766","0.0426","","","0.0885","0.0929","","","","","","1.084","","","","has coordinates","228915","2020-10-21","18:00:00",""
"7230858","16.409","0.0008","27.965","0.002","12.6898","0.0008","90","","106.692","0.006","90","","5577.7","0.6","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C99 H69 Cl15 Co2 N20 O18 S4 -","- C99 H69 Cl15 Co2 N20 O18 S4 -","- C198 H138 Cl30 Co4 N40 O36 S8 -","2","0.5","","Li, Guo-Bi; Yang, Qing-Yuan; Pan, Rong-Kai; Liu, Sheng-Gui","Diverse cobalt(ii) coordination polymers for water/ethanol separation and luminescence for water sensing applications","CrystEngComm","2018","20","27","3891","","10.1039/C8CE00709H","","","0.71073","MoKα","","0.1693","0.1352","","","0.2592","0.2735","","","","","","1.078","","","","has coordinates,has disorder","228915","2020-10-21","18:00:00",""
"7230863","10.2664","0.0008","17.7456","0.0011","22.3759","0.0014","85.142","0.004","86.718","0.004","88.258","0.004","4053.9","0.5","150","2","150","2","","","","","","","synthesis as described","8","P -1","-P 1","2","","{[Cd(NH3)5]2[Cd(NH3)4]3[Re3Mo3Se8(CN)6]2}Â.5H2O","","- C12 H66 Cd5 Mo6 N34 O5 Re6 Se16 -","- C12 H66 Cd5 Mo6.006 N34 O5 Re5.994 Se16 -","- C24 H132 Cd10 Mo12.012 N68 O10 Re11.988 Se32 -","2","1","","Muravieva, Viktoria K.; Gayfulin, Yakov M.; Lemoine, Pierric; Cordier, stéphane; Naumov, Nikolay G.","Stabilization of interpenetrating cluster-based frameworks promoted by N-H…X hydrogen bonds: synthesis, structures and properties of {[Cd(NH3)4]3[Re3Mo3Se8(CN)6]}X (X = Cl, Br and I)","CrystEngComm","2018","","","","","10.1039/C8CE00527C","","x-ray","0.71073","MoKα","","0.142","0.062","","","0.1149","0.1453","","","","","","0.964","","","","has coordinates","208321","2020-10-21","18:00:00",""
"7230864","15.3596","0.0014","15.3596","","15.3897","0.0013","90","","90","","120","","3144.3","0.4","150","2","150","2","","","","","","","synthesis as described","8","R -3","-R 3","148","","","","- C6 H36 Cd3 I Mo3 N18 Re3 Se8 -","- C6 H36 Cd3 I Mo3 N18 Re3 Se8 -","- C18 H108 Cd9 I3 Mo9 N54 Re9 Se24 -","3","","","Muravieva, Viktoria K.; Gayfulin, Yakov M.; Lemoine, Pierric; Cordier, stéphane; Naumov, Nikolay G.","Stabilization of interpenetrating cluster-based frameworks promoted by N-H…X hydrogen bonds: synthesis, structures and properties of {[Cd(NH3)4]3[Re3Mo3Se8(CN)6]}X (X = Cl, Br and I)","CrystEngComm","2018","","","","","10.1039/C8CE00527C","","x-ray","0.71073","MoKα","","0.0302","0.0277","","","0.0724","0.0745","","","","","","1.077","","","","has coordinates","208321","2020-10-21","18:00:00",""
"7230865","15.0363","0.0008","15.0363","0.0008","15.3935","0.0009","90","","90","","120","","3014","0.3","150","2","150","2","","","","","","","synthesis as described","8","R -3","-R 3","148","","{[Cd(NH3)4]3[Re3Mo3Se8(CN)6]}Cl","","- C6 H36 Cd3 Cl Mo3 N18 Re3 Se8 -","- C6 H36 Cd3 Cl Mo3 N18 Re3 Se8 -","- C18 H108 Cd9 Cl3 Mo9 N54 Re9 Se24 -","3","","","Muravieva, Viktoria K.; Gayfulin, Yakov M.; Lemoine, Pierric; Cordier, stéphane; Naumov, Nikolay G.","Stabilization of interpenetrating cluster-based frameworks promoted by N-H…X hydrogen bonds: synthesis, structures and properties of {[Cd(NH3)4]3[Re3Mo3Se8(CN)6]}X (X = Cl, Br and I)","CrystEngComm","2018","","","","","10.1039/C8CE00527C","","x-ray","0.71073","MoKα","","0.0363","0.0271","","","0.0672","0.0713","","","","","","1.088","","","","has coordinates","208321","2020-10-21","18:00:00",""
"7230866","15.2258","0.001","15.2258","0.001","15.3834","0.0011","90","","90","","120","","3088.5","0.4","150","2","150","2","","","","","","","synthesis as described","8","R -3","-R 3","148","","{[Cd(NH3)4]3[Re3Mo3Se8(CN)6]}Br","","- C6 H36 Br Cd3 Mo3 N18 Re3 Se8 -","- C6 H36 Br Cd3 Mo3 N18 Re3 Se8 -","- C18 H108 Br3 Cd9 Mo9 N54 Re9 Se24 -","3","","","Muravieva, Viktoria K.; Gayfulin, Yakov M.; Lemoine, Pierric; Cordier, stéphane; Naumov, Nikolay G.","Stabilization of interpenetrating cluster-based frameworks promoted by N-H…X hydrogen bonds: synthesis, structures and properties of {[Cd(NH3)4]3[Re3Mo3Se8(CN)6]}X (X = Cl, Br and I)","CrystEngComm","2018","","","","","10.1039/C8CE00527C","","x-ray","0.71073","MoKα","","0.0176","0.0148","","","0.034","0.0349","","","","","","1.109","","","","has coordinates","208321","2020-10-21","18:00:00",""
"7230867","8.6476","0.0003","15.247","0.0004","20.5679","0.0007","90","","90","","90","","2711.88","0.15","100.01","0.1","100.01","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C21 H20 Br2 Cu N8 S -","- C21 H20 Br2 Cu N8 S -","- C84 H80 Br8 Cu4 N32 S4 -","4","1","","Wu, Xiang-Wen; Pan, Feng; Yin, Shi; Ge, Jing-Yuan; Jin, Guo-Xia; Wang, Peng; Ma, Jian-Ping","Solvent-induced structural transformation and magnetic modulation in 1D copper(ii) polymers based on a semi-rigid ligand containing 4-amino-1,2,4-triazole","CrystEngComm","2018","20","28","3955","","10.1039/C8CE00820E","","x-ray","1.54184","CuKα","","0.0465","0.0442","","","0.1269","0.1294","","","","","","1.082","","","","has coordinates","228885","2020-10-21","18:00:00",""
"7230868","8.77","0.0003","14.9616","0.0004","20.7948","0.0006","90","","90","","90","","2728.55","0.14","100.01","0.1","100.01","0.1","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C21 H24 Br2 Cu N7 O1.5 S -","- C21 H24 Br2 Cu N7 O1.5 S -","- C84 H96 Br8 Cu4 N28 O6 S4 -","4","1","","Wu, Xiang-Wen; Pan, Feng; Yin, Shi; Ge, Jing-Yuan; Jin, Guo-Xia; Wang, Peng; Ma, Jian-Ping","Solvent-induced structural transformation and magnetic modulation in 1D copper(ii) polymers based on a semi-rigid ligand containing 4-amino-1,2,4-triazole","CrystEngComm","2018","20","28","3955","","10.1039/C8CE00820E","","x-ray","1.54184","CuKα","","0.0564","0.0552","","","0.1563","0.1579","","","","","","1.096","","","","has coordinates","228885","2020-10-21","18:00:00",""
"7230869","8.8761","0.0003","15.2703","0.0005","21.1399","0.0011","90","","90","","90","","2865.3","0.2","293","2","298","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C22 H26 Br2 Cu N6 O2 S -","- C22 H26 Br2 Cu N6 O2 S -","- C88 H104 Br8 Cu4 N24 O8 S4 -","4","1","","Wu, Xiang-Wen; Pan, Feng; Yin, Shi; Ge, Jing-Yuan; Jin, Guo-Xia; Wang, Peng; Ma, Jian-Ping","Solvent-induced structural transformation and magnetic modulation in 1D copper(ii) polymers based on a semi-rigid ligand containing 4-amino-1,2,4-triazole","CrystEngComm","2018","20","28","3955","","10.1039/C8CE00820E","","x-ray","1.54184","CuKα","","0.0514","0.046","","","0.1388","0.1473","","","","","","1.09","","","","has coordinates,has disorder","228885","2020-10-21","18:00:00",""
"7230870","8.4816","0.0006","15.3597","0.0017","19.7243","0.0015","90","","90","","90","","2569.6","0.4","112","19","112","19","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C18.5 H16.25 Br2 Cu N6.75 S -","- C18.5 H16.25 Br2 Cu N6.75 S -","- C74 H65 Br8 Cu4 N27 S4 -","4","1","","Wu, Xiang-Wen; Pan, Feng; Yin, Shi; Ge, Jing-Yuan; Jin, Guo-Xia; Wang, Peng; Ma, Jian-Ping","Solvent-induced structural transformation and magnetic modulation in 1D copper(ii) polymers based on a semi-rigid ligand containing 4-amino-1,2,4-triazole","CrystEngComm","2018","20","28","3955","","10.1039/C8CE00820E","","x-ray","1.54184","CuKα","","0.0954","0.0843","","","0.2284","0.242","","","","","","1.066","","","","has coordinates,has disorder","228885","2020-10-21","18:00:00",""
"7230871","8.752","0.0002","15.3925","0.0003","20.4584","0.0004","90","","90","","90","","2756.06","0.1","100.01","0.1","100.01","0.1","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C20 H24 Br2 Cl2 Cu N6 O2 S -","- C20 H24 Br2 Cl2 Cu N6 O2 S -","- C80 H96 Br8 Cl8 Cu4 N24 O8 S4 -","4","1","","Wu, Xiang-Wen; Pan, Feng; Yin, Shi; Ge, Jing-Yuan; Jin, Guo-Xia; Wang, Peng; Ma, Jian-Ping","Solvent-induced structural transformation and magnetic modulation in 1D copper(ii) polymers based on a semi-rigid ligand containing 4-amino-1,2,4-triazole","CrystEngComm","2018","20","28","3955","","10.1039/C8CE00820E","","x-ray","1.54184","CuKα","","0.0442","0.0405","","","0.1083","0.1107","","","","","","1.08","","","","has coordinates","228885","2020-10-21","18:00:00",""
"7230872","7.7414","0.0005","7.7414","0.0005","7.0841","0.0007","90","","90","","120","","367.67","0.05","295","2","295","2","","","","","","","","6","P -3 m 1","-P 3 2""","164","MA2AgInBr6","","","- C2 H12 Ag Br6 In N2 -","- C2.0004 H12.0024 Ag Br6 In N2.0004 -","- C2.0004 H12.0024 Ag Br6 In N2.0004 -","1","0.0833333","","Tran, Thao T.; Quintero, Michael A.; Arpino, Kathryn E.; Kelly, Zachary A.; Panella, Jessica R.; Wang, Xiaoping; McQueen, Tyrel M.","Chemically controlled crystal growth of (CH3NH3)2AgInBr6","CrystEngComm","2018","20","39","5929","","10.1039/C8CE00702K","","","0.6","neutrons","","0.0628","0.0545","","","0.1144","0.1202","","","","","","1.041","","","","has coordinates,has disorder","228974","2020-10-21","18:00:00",""
"7230873","7.6324","0.0004","7.6324","","7.0554","0.0006","90","","90","","120","","355.94","0.04","95","2","95","2","","","","","","","","6","P -3","-P 3","147","","","","- C2 H12 Ag Br6 In N2 -","- C2 H12 Ag Br6 In N2 -","- C2 H12 Ag Br6 In N2 -","1","0.166667","","Tran, Thao T.; Quintero, Michael A.; Arpino, Kathryn E.; Kelly, Zachary A.; Panella, Jessica R.; Wang, Xiaoping; McQueen, Tyrel M.","Chemically controlled crystal growth of (CH3NH3)2AgInBr6","CrystEngComm","2018","20","39","5929","","10.1039/C8CE00702K","","","0.6","neutron","","0.0352","0.0348","","","0.066","0.0662","","","","","","1.105","","","","has coordinates","228974","2020-10-21","18:00:00",""
"7230874","7.6399","0.0011","7.6399","0.0011","7.0651","0.0014","90","","90","","120","","357.13","0.1","95","1","95","0.1","","","","","","","","6","P -3","-P 3","147","","","","- C2 H12 Ag Br6 In N2 -","- C2 H12 Ag Br6 In N2 -","- C2 H12 Ag Br6 In N2 -","1","0.166667","","Tran, Thao T.; Quintero, Michael A.; Arpino, Kathryn E.; Kelly, Zachary A.; Panella, Jessica R.; Wang, Xiaoping; McQueen, Tyrel M.","Chemically controlled crystal growth of (CH3NH3)2AgInBr6","CrystEngComm","2018","20","39","5929","","10.1039/C8CE00702K","","x-ray","0.71073","MoKα","","0.0204","0.0204","","","0.0486","0.0486","","","","","","1.14","","","","has coordinates","228974","2020-10-21","18:00:00",""
"7230875","7.702","0.001","7.702","0.001","7.072","0.001","90","","90","","120","","363.31","0.08","213","2","213","2","","","","","","","","6","P -3 m 1","-P 3 2""","164","","","","- C2 H12 Ag Br6 In N2 -","- C1.0002 H12.0024 Ag Br6 In N2.0004 -","- C1.0002 H12.0024 Ag Br6 In N2.0004 -","1","0.0833333","","Tran, Thao T.; Quintero, Michael A.; Arpino, Kathryn E.; Kelly, Zachary A.; Panella, Jessica R.; Wang, Xiaoping; McQueen, Tyrel M.","Chemically controlled crystal growth of (CH3NH3)2AgInBr6","CrystEngComm","2018","20","39","5929","","10.1039/C8CE00702K","","","0.71075","MoKα","","0.0246","0.0237","","","0.0569","0.0576","","","","","","1.136","","","","has coordinates,has disorder","228974","2020-10-21","18:00:00",""
"7230876","9.1895","0.0006","10.5129","0.0006","11.6426","0.0008","104.52","0.005","101.61","0.006","108.748","0.006","981.14","0.13","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H34 Ag2 F6 N4 O4 P2 -","- C40 H34 Ag2 F6 N4 O4 P2 -","- C40 H34 Ag2 F6 N4 O4 P2 -","1","0.5","","Xu, Lin-Yan; Yang, Wei; Liu, Chao-Fan; Ren, Zhi-Gang; Lang, Jian-Ping","Assembly of silver-oxo complexes based on N-diphenylphosphanylmethyl-3-aminopyridine and their structures, photocatalysis and photocurrent responses","CrystEngComm","2018","20","28","4049","","10.1039/C8CE00715B","","","0.71073","MoKα","","0.0653","0.0455","","","0.1016","0.1172","","","","","","1.047","","","","has coordinates","228879","2020-10-21","18:00:00",""
"7230877","15.6022","0.0006","16.5942","0.0006","16.3829","0.0006","90","","90","","90","","4241.6","0.3","283","2","283","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C37 H35 Ag2 Cl3 N4 O4 P2 S -","- C37 H35 Ag2 Cl3 N4 O4 P2 S -","- C148 H140 Ag8 Cl12 N16 O16 P8 S4 -","4","0.5","","Xu, Lin-Yan; Yang, Wei; Liu, Chao-Fan; Ren, Zhi-Gang; Lang, Jian-Ping","Assembly of silver-oxo complexes based on N-diphenylphosphanylmethyl-3-aminopyridine and their structures, photocatalysis and photocurrent responses","CrystEngComm","2018","20","28","4049","","10.1039/C8CE00715B","","","0.71073","MoKα","","0.1364","0.0689","","","0.2027","0.2548","","","","","","1.026","","","","has coordinates,has disorder","228879","2020-10-21","18:00:00",""
"7230878","9.3658","0.0019","10.897","0.002","12.166","0.002","104.48","0.03","106.68","0.03","105.64","0.03","1070.8","0.5","298","2","298","2","","","","","","","","8","P -1","-P 1","2","","","","- C38 H34 Ag2 F6 N4 O6 P2 S2 -","- C38 H34 Ag2 F6 N4 O6 P2 S2 -","- C38 H34 Ag2 F6 N4 O6 P2 S2 -","1","0.5","","Xu, Lin-Yan; Yang, Wei; Liu, Chao-Fan; Ren, Zhi-Gang; Lang, Jian-Ping","Assembly of silver-oxo complexes based on N-diphenylphosphanylmethyl-3-aminopyridine and their structures, photocatalysis and photocurrent responses","CrystEngComm","2018","20","28","4049","","10.1039/C8CE00715B","","","0.71073","MoKα","","0.1168","0.1132","","","0.3334","0.3401","","","","","","1.029","","","","has coordinates","228879","2020-10-21","18:00:00",""
"7230879","9.2258","0.0009","16.0663","0.0016","15.1632","0.0017","90","","90.09","","90","","2247.6","0.4","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 Ag N2 O3 P -","- C25 H22 Ag N2 O3 P -","- C100 H88 Ag4 N8 O12 P4 -","4","1","","Xu, Lin-Yan; Yang, Wei; Liu, Chao-Fan; Ren, Zhi-Gang; Lang, Jian-Ping","Assembly of silver-oxo complexes based on N-diphenylphosphanylmethyl-3-aminopyridine and their structures, photocatalysis and photocurrent responses","CrystEngComm","2018","20","28","4049","","10.1039/C8CE00715B","","","0.71073","MoKα","","0.1324","0.0741","","","0.1695","0.2095","","","","","","1.032","","","","has coordinates","228879","2020-10-21","18:00:00",""
"7230880","15.3788","0.0005","17.2961","0.0006","16.4091","0.0006","90","","90","","90","","4364.7","0.3","223","2","223","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C20 H17 Ag N3 O4 P -","- C20 H17 Ag N3 O4 P -","- C160 H136 Ag8 N24 O32 P8 -","8","1","","Xu, Lin-Yan; Yang, Wei; Liu, Chao-Fan; Ren, Zhi-Gang; Lang, Jian-Ping","Assembly of silver-oxo complexes based on N-diphenylphosphanylmethyl-3-aminopyridine and their structures, photocatalysis and photocurrent responses","CrystEngComm","2018","20","28","4049","","10.1039/C8CE00715B","","","0.71073","MoKα","","0.1056","0.071","","","0.1961","0.2228","","","","","","1.036","","","","has coordinates,has disorder","228879","2020-10-21","18:00:00",""
"7230881","9.5636","0.0006","9.8309","0.0005","13.581","0.0007","97.163","0.004","92.151","0.005","117.293","0.006","1119.35","0.13","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H22 Ag N2 O2 P -","- C25 H22 Ag N2 O2 P -","- C50 H44 Ag2 N4 O4 P2 -","2","1","","Xu, Lin-Yan; Yang, Wei; Liu, Chao-Fan; Ren, Zhi-Gang; Lang, Jian-Ping","Assembly of silver-oxo complexes based on N-diphenylphosphanylmethyl-3-aminopyridine and their structures, photocatalysis and photocurrent responses","CrystEngComm","2018","20","28","4049","","10.1039/C8CE00715B","","","0.71073","MoKα","","0.086","0.0505","","","0.0743","0.0892","","","","","","1.072","","","","has coordinates","228879","2020-10-21","18:00:00",""
"7230885","8.5756","0.0001","15.1244","0.0002","18.2776","0.0005","112.516","0.001","99.834","0.004","98.038","0.003","2102.17","0.09","109","2","109","2","","","","","","","","6","P -1","-P 1","2","","","","- C85.23 H82.45 Cl2.45 O10 P4 Sn4 -","- C85.226 H82.452 Cl2.452 O10 P4 Sn4 -","- C85.226 H82.452 Cl2.452 O10 P4 Sn4 -","1","0.5","","Jobbágy, Csaba; Baranyai, Péter; Gömöry, Ágnes; Deák, Andrea","A H-shaped heterometallic Sn4Au4 system with guest-tuneable multicolour and selective luminescence sensing properties","CrystEngComm","2018","20","39","5935","","10.1039/C8CE00652K","","","0.7107","MoKα","","0.0427","0.0403","","","0.1016","0.1091","","","","","","1.086","","","","has coordinates","228985","2020-10-21","18:00:00",""
"7230886","9.8918","0.001","14.2582","0.0013","39.597","0.003","90","","93.948","0.002","90","","5571.5","0.9","103","2","103","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C87.87 H87.74 Au4 Cl11.73 O10 P4 Sn4 -","- C87.876 H87.752 Au4 Cl11.752 O10 P4 Sn4 -","- C175.752 H175.504 Au8 Cl23.504 O20 P8 Sn8 -","2","0.5","","Jobbágy, Csaba; Baranyai, Péter; Gömöry, Ágnes; Deák, Andrea","A H-shaped heterometallic Sn4Au4 system with guest-tuneable multicolour and selective luminescence sensing properties","CrystEngComm","2018","20","39","5935","","10.1039/C8CE00652K","","","0.71075","MoKα","","0.0941","0.0686","","","0.1628","0.1782","","","","","","1.073","","","","has coordinates","228985","2020-10-21","18:00:00",""
"7230893","10.596","0.001","12.337","0.0012","13.722","0.002","90","","102.789","0.013","90","","1749.3","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(1R*,2S*)-{2-[pyridin-2-yl(pyridin-2-ylamino)methylidene]hydrazinecarbonyl}cyclohexanecarboxylic acid","","- C19 H21 N5 O3 -","- C19 H21 N5 O3 -","- C76 H84 N20 O12 -","4","1","","Mazur, Liliana; Sączewski, Jarosław; Jarzembska, Katarzyna N.; Szwarc-Karabyka, Katarzyna; Paprocka, Renata; Modzelewska-Banachiewicz, Bożena","Synthesis, structural characterization and reactivity of new trisubstituted N1-acylamidrazones: solid state and solution studies","CrystEngComm","2018","20","29","4179","","10.1039/C8CE00701B","","","0.71073","MoKα","","0.105","0.0551","","","0.1083","0.1307","","","","","","0.985","","","","has coordinates","228876","2020-10-21","18:00:00",""
"7230894","9.2194","0.0006","10.2234","0.0005","17.0821","0.0009","90","","99.026","0.005","90","","1590.11","0.16","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-{2-[pyridin-2-yl(pyridin-2-ylamino)methylidene]hydrazinecarbonyl}nicotinic acid","","- C18 H14 N6 O3 -","- C18 H14 N6 O3 -","- C72 H56 N24 O12 -","4","1","","Mazur, Liliana; Sączewski, Jarosław; Jarzembska, Katarzyna N.; Szwarc-Karabyka, Katarzyna; Paprocka, Renata; Modzelewska-Banachiewicz, Bożena","Synthesis, structural characterization and reactivity of new trisubstituted N1-acylamidrazones: solid state and solution studies","CrystEngComm","2018","20","29","4179","","10.1039/C8CE00701B","","","0.71073","MoKα","","0.0776","0.0374","","","0.0663","0.072","","","","","","0.802","","","","has coordinates","228876","2020-10-21","18:00:00",""
"7230895","20.6565","0.0013","4.9157","0.0003","16.516","0.001","90","","90","","90","","1677.05","0.18","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C16 H19 N5 O4 -","- C16 H19 N5 O4 -","- C64 H76 N20 O16 -","4","1","","Mazur, Liliana; Sączewski, Jarosław; Jarzembska, Katarzyna N.; Szwarc-Karabyka, Katarzyna; Paprocka, Renata; Modzelewska-Banachiewicz, Bożena","Synthesis, structural characterization and reactivity of new trisubstituted N1-acylamidrazones: solid state and solution studies","CrystEngComm","2018","20","29","4179","","10.1039/C8CE00701B","","","0.71073","MoKα","","0.0677","0.0386","","","0.0584","0.0627","","","","","","0.806","","","","has coordinates","228876","2020-10-21","18:00:00",""
"7230896","10.7168","0.0006","11.1292","0.0005","15.2937","0.0008","90","","106.246","0.006","90","","1751.23","0.16","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","{2-[pyridin-2-yl(pyridin-2-ylamino)methylidene]hydrazinecarbonyl}cyclohexanecarboxylic acid","","- C19 H21 N5 O3 -","- C19 H21 N5 O3 -","- C76 H84 N20 O12 -","4","2","","Mazur, Liliana; Sączewski, Jarosław; Jarzembska, Katarzyna N.; Szwarc-Karabyka, Katarzyna; Paprocka, Renata; Modzelewska-Banachiewicz, Bożena","Synthesis, structural characterization and reactivity of new trisubstituted N1-acylamidrazones: solid state and solution studies","CrystEngComm","2018","20","29","4179","","10.1039/C8CE00701B","","","0.71073","MoKα","","0.0847","0.05","","","0.0947","0.1024","","","","","","0.925","","","","has coordinates","228876","2020-10-21","18:00:00",""
"7230897","10.5625","0.0009","11.9958","0.001","14.2676","0.001","90","","104.793","0.008","90","","1747.9","0.3","100","1","100","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-{2-[pyridin-2-yl(pyridin-2-ylamino)methylidene]hydrazinecarbonyl}benzoic acid","","- C19 H15 N5 O3 -","- C19 H15 N5 O3 -","- C76 H60 N20 O12 -","4","1","","Mazur, Liliana; Sączewski, Jarosław; Jarzembska, Katarzyna N.; Szwarc-Karabyka, Katarzyna; Paprocka, Renata; Modzelewska-Banachiewicz, Bożena","Synthesis, structural characterization and reactivity of new trisubstituted N1-acylamidrazones: solid state and solution studies","CrystEngComm","2018","20","29","4179","","10.1039/C8CE00701B","","","0.71073","MoKα","","0.1104","0.0713","","","0.1724","0.2033","","","","","","1.036","","","","has coordinates","228876","2020-10-21","18:00:00",""
"7230898","10.645","0.001","9.879","0.001","15.864","0.002","90","","92.52","0.01","90","","1666.7","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-{2-[pyridin-2-yl(pyridin-2-ylamino)methylidene]hydrazinecarbonyl}nicotinic acid","","- C18 H14 N6 O3 -","- C18 H14 N6 O3 -","- C72 H56 N24 O12 -","4","1","","Mazur, Liliana; Sączewski, Jarosław; Jarzembska, Katarzyna N.; Szwarc-Karabyka, Katarzyna; Paprocka, Renata; Modzelewska-Banachiewicz, Bożena","Synthesis, structural characterization and reactivity of new trisubstituted N1-acylamidrazones: solid state and solution studies","CrystEngComm","2018","20","29","4179","","10.1039/C8CE00701B","","","0.71073","MoKα","","0.0769","0.0519","","","0.1058","0.1213","","","","","","1.041","","","","has coordinates","228876","2020-10-21","18:00:00",""
"7230899","9.7517","0.0007","21.1933","0.0015","14.2957","0.001","90","","103.149","0.007","90","","2877","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-oxo-4-{2-[pyridin-2-yl(pyridin-2-ylamino)methylidene]hydrazinyl}butanoic acid","","- C15 H15 N5 O3 -","- C15 H15 N5 O3 -","- C120 H120 N40 O24 -","8","2","","Mazur, Liliana; Sączewski, Jarosław; Jarzembska, Katarzyna N.; Szwarc-Karabyka, Katarzyna; Paprocka, Renata; Modzelewska-Banachiewicz, Bożena","Synthesis, structural characterization and reactivity of new trisubstituted N1-acylamidrazones: solid state and solution studies","CrystEngComm","2018","20","29","4179","","10.1039/C8CE00701B","","","0.71073","MoKα","","0.1341","0.0645","","","0.1056","0.1283","","","","","","0.996","","","","has coordinates","228876","2020-10-21","18:00:00",""
"7230900","20.275","0.002","10.7573","0.0011","17.3839","0.0017","90","","95.541","0.002","90","","3773.8","0.7","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Clozapine","","","- C19 H23 Cl N4 O -","- C19 H23 Cl N4 O -","- C152 H184 Cl8 N32 O8 -","8","1","","Verma, Vivek; Bannigan, Pauric; Lusi, Matteo; Crowley, Clare M.; Hudson, Sarah; Hodnett, Benjamin K.; Davern, Peter","The heterogeneous crystallization of a novel solvate of clozapine base in the presence of excipients","CrystEngComm","2018","20","31","4370","","10.1039/C8CE00663F","","","0.71073","MoKα","","0.1085","0.0979","","","0.3693","0.3919","","","","","","1.842","","","","has coordinates,has disorder","229088","2020-10-21","18:00:00",""
"7230901","20.0103","0.0008","10.5732","0.0005","17.375","0.0008","90","","96.172","0.001","90","","3654.8","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Clozapine","","","- C19 H23 Cl N4 O -","- C19 H23 Cl N4 O -","- C152 H184 Cl8 N32 O8 -","8","1","","Verma, Vivek; Bannigan, Pauric; Lusi, Matteo; Crowley, Clare M.; Hudson, Sarah; Hodnett, Benjamin K.; Davern, Peter","The heterogeneous crystallization of a novel solvate of clozapine base in the presence of excipients","CrystEngComm","2018","20","31","4370","","10.1039/C8CE00663F","","","0.71073","MoKα","","0.1061","0.063","","","0.1434","0.172","","","","","","1.075","","","","has coordinates,has disorder","229088","2020-10-21","18:00:00",""
"7230913","30.059","0.002","30.059","0.002","5.9369","0.0006","90","","90","","90","","5364.2","0.7","296","2","296","2","","","","","","","","5","I -4","I -4","82","","","","- C3.29 H2.12 Co0.24 N0.24 O1.18 -","- C3.29412 H2.11765 Co0.235294 N0.235294 O1.17647 -","- C224 H144 Co16 N16 O80 -","68","8.5","","Yue, Qi; Liu, Xu; Guo, Wei-Xiao; Gao, En-Qing","Structural diversity and magnetic properties of Co(II)/Mn(II)/Ni(II) coordination polymers constructed from an unsymmetrical tetracarboxylic acid and varying N-donor ligands","CrystEngComm","2018","","","","","10.1039/C8CE00692J","","","0.71073","MoKα","","0.055","0.0389","","","0.0811","0.086","","","","","","1.009","","","","has coordinates","208504","2020-10-21","18:00:00",""
"7230914","30.168","0.003","30.168","0.003","6.0186","0.0008","90","","90","","90","","5477.6","1.1","296","2","296","2","","","","","","","","5","I -4","I -4","82","","","","- C3.2 H2.06 Mn0.23 N0.23 O1.14 -","- C3.2 H2.05714 Mn0.228571 N0.228571 O1.14286 -","- C224 H144 Mn16 N16 O80 -","70","8.75","","Yue, Qi; Liu, Xu; Guo, Wei-Xiao; Gao, En-Qing","Structural diversity and magnetic properties of Co(II)/Mn(II)/Ni(II) coordination polymers constructed from an unsymmetrical tetracarboxylic acid and varying N-donor ligands","CrystEngComm","2018","","","","","10.1039/C8CE00692J","","","0.71073","MoKα","","0.0864","0.0623","","","0.161","0.174","","","","","","0.995","","","","has coordinates","208504","2020-10-21","18:00:00",""
"7230915","10.2945","0.0004","10.6512","0.0004","14.9173","0.0006","81.017","0.001","74.262","0.001","86.402","0.001","1554.68","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C3.4 H2.5 Co0.2 N0.3 O -","- C3.4 H2.5 Co0.2 N0.3 O -","- C68 H50 Co4 N6 O20 -","20","10","","Yue, Qi; Liu, Xu; Guo, Wei-Xiao; Gao, En-Qing","Structural diversity and magnetic properties of Co(II)/Mn(II)/Ni(II) coordination polymers constructed from an unsymmetrical tetracarboxylic acid and varying N-donor ligands","CrystEngComm","2018","","","","","10.1039/C8CE00692J","","","0.71073","MoKα","","0.0683","0.0419","","","0.0919","0.1059","","","","","","1.037","","","","has coordinates","208504","2020-10-21","18:00:00",""
"7230916","19.532","0.004","8.8486","0.0017","14.171","0.003","90","","98.193","0.006","90","","2424.2","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3.35 H2.71 Co0.19 N0.26 O1.42 -","- C3.35484 H2.70968 Co0.193548 N0.258065 O1.41935 -","- C104 H84 Co6 N8 O44 -","31","7.75","","Yue, Qi; Liu, Xu; Guo, Wei-Xiao; Gao, En-Qing","Structural diversity and magnetic properties of Co(II)/Mn(II)/Ni(II) coordination polymers constructed from an unsymmetrical tetracarboxylic acid and varying N-donor ligands","CrystEngComm","2018","","","","","10.1039/C8CE00692J","","","0.71073","MoKα","","0.0848","0.0534","","","0.1277","0.1401","","","","","","1.096","","","","has coordinates","208504","2020-10-21","18:00:00",""
"7230917","10.9348","0.0018","11.2863","0.0019","13.509","0.002","74.363","0.006","81.277","0.006","74.499","0.006","1541.4","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C2.95 H3.58 N0.21 Ni0.21 O1.68 -","- C2.94737 H3.57895 N0.210526 Ni0.210526 O1.68421 -","- C56 H68 N4 Ni4 O32 -","19","9.5","","Yue, Qi; Liu, Xu; Guo, Wei-Xiao; Gao, En-Qing","Structural diversity and magnetic properties of Co(II)/Mn(II)/Ni(II) coordination polymers constructed from an unsymmetrical tetracarboxylic acid and varying N-donor ligands","CrystEngComm","2018","","","","","10.1039/C8CE00692J","","","0.71073","MoKα","","0.1283","0.0669","","","0.1694","0.2073","","","","","","1.039","","","","has coordinates","208504","2020-10-21","18:00:00",""
"7230918","11.0005","0.0016","11.3676","0.0017","13.521","0.002","74.175","0.005","81.702","0.005","74.789","0.005","1564.9","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C2.8 H3.4 Co0.2 N0.2 O1.6 -","- C2.8 H3.4 Co0.2 N0.2 O1.6 -","- C56 H68 Co4 N4 O32 -","20","10","","Yue, Qi; Liu, Xu; Guo, Wei-Xiao; Gao, En-Qing","Structural diversity and magnetic properties of Co(II)/Mn(II)/Ni(II) coordination polymers constructed from an unsymmetrical tetracarboxylic acid and varying N-donor ligands","CrystEngComm","2018","","","","","10.1039/C8CE00692J","","","0.71073","MoKα","","0.0782","0.0514","","","0.1214","0.1339","","","","","","1.042","","","","has coordinates","208504","2020-10-21","18:00:00",""
"7230919","23.7839","0.0006","23.7839","0.0006","36.666","0.002","90","","90","","90","","20741","1.4","296","2","296","2","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C2.22 H2.09 N0.25 Ni0.25 O0.98 -","- C2.21538 H2.09231 N0.246154 Ni0.246154 O0.984615 -","- C576 H544 N64 Ni64 O256 -","260","","","Yue, Qi; Liu, Xu; Guo, Wei-Xiao; Gao, En-Qing","Structural diversity and magnetic properties of Co(II)/Mn(II)/Ni(II) coordination polymers constructed from an unsymmetrical tetracarboxylic acid and varying N-donor ligands","CrystEngComm","2018","","","","","10.1039/C8CE00692J","","","0.71073","MoKα","","0.1139","0.0522","","","0.1238","0.1357","","","","","","0.982","","","","has coordinates","208504","2020-10-21","18:00:00",""
"7230920","22.6151","0.0005","22.6151","0.0005","6.5646","0.0003","90","","90","","90","","3357.42","0.19","150","2","150","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.0576","0.0449","","","0.0793","0.0858","","","","","","1.007","","","","has coordinates,has disorder","228978","2020-10-21","18:00:00",""
"7230921","22.2989","0.0005","22.2989","0.0005","6.6471","0.0002","90","","90","","90","","3305.21","0.14","150","2","150","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.0309","0.0275","","","0.0537","0.0554","","","","","","1.017","","","","has coordinates","228978","2020-10-21","18:00:00",""
"7230922","22.5083","0.0008","22.5083","0.0008","6.5855","0.0004","90","","90","","90","","3336.4","0.3","150","2","150","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.0709","0.0532","","","0.0888","0.0982","","","","","","1.035","","","","has coordinates,has disorder","228978","2020-10-21","18:00:00",""
"7230923","22.6482","0.0005","22.6482","0.0005","6.5591","0.0002","90","","90","","90","","3364.43","0.15","150","2","150","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.0498","0.0453","","","0.1083","0.1121","","","","","","1.053","","","","has coordinates,has disorder","228978","2020-10-21","18:00:00",""
"7230924","22.5635","0.0005","22.5635","0.0005","6.5794","0.0002","90","","90","","90","","3349.65","0.15","150","2","150","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.0529","0.0428","","","0.0762","0.0824","","","","","","1.045","","","","has coordinates,has disorder","228978","2020-10-21","18:00:00",""
"7230925","22.7194","0.0019","22.7194","0.0019","6.5611","0.0008","90","","90","","90","","3386.7","0.6","150","2","150","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.0511","0.043","","","0.0936","0.0975","","","","","","1.045","","","","has coordinates,has disorder","228978","2020-10-21","18:00:00",""
"7230926","22.7012","0.0019","22.7012","0.0019","6.5603","0.0009","90","","90","","90","","3380.8","0.6","210","2","210","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.1497","0.0957","","","0.188","0.2319","","","","","","1.054","","","","has coordinates,has disorder","228978","2020-10-21","18:00:00",""
"7230927","22.6722","0.0006","22.6722","0.0006","6.5648","0.0003","90","","90","","90","","3374.5","0.2","170","2","170","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.062","0.0449","","","0.0709","0.0769","","","","","","1.028","","","","has coordinates,has disorder","228978","2020-10-21","18:00:00",""
"7230928","22.738","0.002","22.738","0.002","6.5434","0.0009","90","","90","","90","","3383","0.6","200","2","200","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.0774","0.0641","","","0.1559","0.1663","","","","","","1.045","","","","has coordinates,has disorder","228978","2020-10-21","18:00:00",""
"7230929","22.3673","0.0005","22.3673","0.0005","6.6855","0.0002","90","","90","","90","","3344.73","0.15","230","2","230","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.045","0.0376","","","0.0782","0.0808","","","","","","1.064","","","","has coordinates","228978","2020-10-21","18:00:00",""
"7230930","22.37","0.0006","22.37","0.0006","6.6942","0.0003","90","","90","","90","","3349.9","0.2","250","2","250","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.0476","0.0388","","","0.0745","0.0776","","","","","","1.066","","","","has coordinates","228978","2020-10-21","18:00:00",""
"7230931","22.4172","0.0008","22.4172","0.0008","6.6766","0.0005","90","","90","","90","","3355.2","0.3","220","2","220","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.0522","0.0394","","","0.0567","0.0611","","","","","","0.997","","","","has coordinates","228978","2020-10-21","18:00:00",""
"7230932","22.739","0.002","22.739","0.002","6.5506","0.0008","90","","90","","90","","3387.1","0.6","175","2","175","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.0555","0.0443","","","0.0919","0.0966","","","","","","1.021","","","","has coordinates,has disorder","228978","2020-10-21","18:00:00",""
"7230933","22.3068","0.0003","22.3068","0.0003","6.6532","0.0002","90","","90","","90","","3310.59","0.12","170","2","170","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.0346","0.0283","","","0.0428","0.0448","","","","","","0.996","","","","has coordinates","228978","2020-10-21","18:00:00",""
"7230934","22.358","0.002","22.358","0.002","6.6738","0.0014","90","","90","","90","","3336.1","0.8","250","2","250","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.0957","0.0786","","","0.1671","0.1811","","","","","","1.053","","","","has coordinates","228978","2020-10-21","18:00:00",""
"7230935","22.543","0.002","22.543","0.002","6.6249","0.0012","90","","90","","90","","3366.7","0.7","220","2","220","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.1381","0.1062","","","0.2114","0.2401","","","","","","1.046","","","","has coordinates,has disorder","228978","2020-10-21","18:00:00",""
"7230936","22.3926","0.0019","22.3926","0.0019","6.6569","0.0013","90","","90","","90","","3338","0.8","240","2","240","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.1158","0.0883","","","0.1673","0.1896","","","","","","1.042","","","","has coordinates","228978","2020-10-21","18:00:00",""
"7230937","22.4161","0.0005","22.4161","0.0005","6.6101","0.0003","90","","90","","90","","3321.45","0.18","150","2","150","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.0566","0.0456","","","0.0818","0.0881","","","","","","1.038","","","","has coordinates,has disorder","228978","2020-10-21","18:00:00",""
"7230938","22.6358","0.0009","22.6358","0.0009","6.5964","0.0004","90","","90","","90","","3379.9","0.3","200","2","200","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.0549","0.0411","","","0.0559","0.0608","","","","","","0.978","","","","has coordinates,has disorder","228978","2020-10-21","18:00:00",""
"7230939","22.5343","0.0009","22.5343","0.0009","6.6415","0.0005","90","","90","","90","","3372.5","0.3","210","2","210","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.0543","0.0416","","","0.06","0.0643","","","","","","0.981","","","","has coordinates,has disorder","228978","2020-10-21","18:00:00",""
"7230940","22.7219","0.0011","22.7219","0.0011","6.589","0.0006","90","","90","","90","","3401.8","0.4","175","2","175","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.0871","0.0635","","","0.0985","0.1109","","","","","","1.024","","","","has coordinates,has disorder","228978","2020-10-21","18:00:00",""
"7230941","22.581","0.002","22.581","0.002","6.665","0.0014","90","","90","","90","","3398.5","0.8","230","2","230","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.1282","0.0934","","","0.1922","0.2233","","","","","","1.035","","","","has coordinates,has disorder","228978","2020-10-21","18:00:00",""
"7230951","25.068","0.005","42.667","0.002","13.8078","0.0011","90","","90","","90","","14768","3","100.01","0.1","100.01","0.1","","","","","","","","4","C m c m","-C 2c 2","63","","","","- C42 H18 O16 Zr3 -","- C42 H18 O16 Zr3 -","- C336 H144 O128 Zr24 -","8","0.5","","Kong, Xiang-Jing; Zhang, Yong-Zheng; He, Tao; Wu, Xue-Qian; Xu, Ming-Ming; Wang, Si-Nan; Xie, Lin-Hua; Li, Jian-Rong","Two interpenetrated metal‒organic frameworks with a slim ethynyl-based ligand: designed for selective gas adsorption and structural tuning","CrystEngComm","2018","20","39","6018","","10.1039/C8CE00779A","","x-ray","1.54184","CuKα","","0.101","0.0711","","","0.1909","0.216","","","","","","0.943","","","","has coordinates","228976","2020-10-21","18:00:00",""
"7230952","42.7196","0.0015","23.6272","0.0018","21.5936","0.0009","90","","120.317","0.004","90","","18814.8","1.9","100.01","0.1","100.01","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H22 Cu2 O10 -","- C42 H22 Cu2 O10 -","- C336 H176 Cu16 O80 -","8","1","","Kong, Xiang-Jing; Zhang, Yong-Zheng; He, Tao; Wu, Xue-Qian; Xu, Ming-Ming; Wang, Si-Nan; Xie, Lin-Hua; Li, Jian-Rong","Two interpenetrated metal‒organic frameworks with a slim ethynyl-based ligand: designed for selective gas adsorption and structural tuning","CrystEngComm","2018","20","39","6018","","10.1039/C8CE00779A","","x-ray","1.54178","CuKα","","0.1478","0.0991","","","0.2629","0.2937","","","","","","1.04","","","","has coordinates","228976","2020-10-21","18:00:00",""
"7230953","4.8969","0.0007","14.198","0.002","14.446","0.002","110.345","0.003","91.603","0.003","94.335","0.003","937.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H24 Co N2 O8 -","- C38 H24 Co N2 O8 -","- C38 H24 Co N2 O8 -","1","0.5","","Qin, Ling; Hu, Qing; Wu, Yang; Cai, Jia-Le; Li, Yun-Yun","Three novel Co(ii)/Ni(ii)-based coordination polymers as efficient heterogeneous catalysts for dye degradation","CrystEngComm","2018","20","28","4042","","10.1039/C8CE00860D","","","0.71073","MoKα","","0.0841","0.0623","","","0.1593","0.1733","","","","","","1.043","","","","has coordinates,has disorder","228878","2020-10-21","18:00:00",""
"7230954","7.1065","0.0008","11.5273","0.0012","32.724","0.003","90","","90","","90","","2680.7","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H36 N2 Ni O14 -","- C22 H36 N2 Ni O14 -","- C88 H144 N8 Ni4 O56 -","4","1","","Qin, Ling; Hu, Qing; Wu, Yang; Cai, Jia-Le; Li, Yun-Yun","Three novel Co(ii)/Ni(ii)-based coordination polymers as efficient heterogeneous catalysts for dye degradation","CrystEngComm","2018","20","28","4042","","10.1039/C8CE00860D","","","0.71073","MoKα","","0.0596","0.0571","","","0.1362","0.1378","","","","","","1.118","","","","has coordinates,has disorder","228878","2020-10-21","18:00:00",""
"7230955","9.8329","0.001","14.8689","0.0016","15.4142","0.0016","83.428","0.002","72.557","0.002","71.871","0.002","2042.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C92 H70 Co5 N4 O34 -","- C92 H70 Co5 N4 O34 -","- C92 H70 Co5 N4 O34 -","1","0.5","","Qin, Ling; Hu, Qing; Wu, Yang; Cai, Jia-Le; Li, Yun-Yun","Three novel Co(ii)/Ni(ii)-based coordination polymers as efficient heterogeneous catalysts for dye degradation","CrystEngComm","2018","20","28","4042","","10.1039/C8CE00860D","","","0.71073","MoKα","","0.1281","0.097","","","0.203","0.213","","","","","","1.145","","","","has coordinates","228878","2020-10-21","18:00:00",""
"7230956","7.632","0.006","17.468","0.009","5.313","0.005","90","","95.791","0.007","90","","704.7","0.9","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C14 H10 O6 U -","- C14 H10 O6 U -","- C28 H20 O12 U2 -","2","0.25","","Carter, Korey P.; Kalaj, Mark; Kerridge, Andrew; Cahill, Christopher L.","Probing hydrogen and halogen-oxo interactions in uranyl coordination polymers: a combined crystallographic and computational study","CrystEngComm","2018","20","34","4916","","10.1039/C8CE00682B","","x-ray","0.71073","MoKα","","0.0141","0.0141","","","0.0322","0.0322","","","","","","1.145","","","","has coordinates","229137","2020-10-21","18:00:00",""
"7230957","5.1074","0.0004","17.6516","0.0015","9.0688","0.0008","90","","94.061","0.009","90","","815.53","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 Br2 O6 U -","- C14 H8 Br2 O6 U -","- C28 H16 Br4 O12 U2 -","2","0.5","","Carter, Korey P.; Kalaj, Mark; Kerridge, Andrew; Cahill, Christopher L.","Probing hydrogen and halogen-oxo interactions in uranyl coordination polymers: a combined crystallographic and computational study","CrystEngComm","2018","20","34","4916","","10.1039/C8CE00682B","","x-ray","0.71073","MoKα","","0.0325","0.0223","","","0.0478","0.0512","","","","","","1.022","","","","has coordinates","229137","2020-10-21","18:00:00",""
"7230958","5.0806","0.0004","17.9621","0.0012","9.3867","0.0006","90","","93.553","0.008","90","","854.97","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 I2 O6 U -","- C14 H8 I2 O6 U -","- C28 H16 I4 O12 U2 -","2","0.5","","Carter, Korey P.; Kalaj, Mark; Kerridge, Andrew; Cahill, Christopher L.","Probing hydrogen and halogen-oxo interactions in uranyl coordination polymers: a combined crystallographic and computational study","CrystEngComm","2018","20","34","4916","","10.1039/C8CE00682B","","x-ray","0.71073","MoKα","","0.0263","0.0233","","","0.0558","0.057","","","","","","1.089","","","","has coordinates","229137","2020-10-21","18:00:00",""
"7230959","18.391","0.008","8.604","0.005","10.512","0.007","90","","90.911","0.006","90","","1663.2","1.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 Cl4 O14 U2 -","- C28 H20 Cl4 O14 U2 -","- C56 H40 Cl8 O28 U4 -","2","0.5","","Carter, Korey P.; Kalaj, Mark; Kerridge, Andrew; Cahill, Christopher L.","Probing hydrogen and halogen-oxo interactions in uranyl coordination polymers: a combined crystallographic and computational study","CrystEngComm","2018","20","34","4916","","10.1039/C8CE00682B","","x-ray","0.71073","MoKα","","0.0349","0.0246","","","0.0555","0.058","","","","","","1.045","","","","has coordinates","229137","2020-10-21","18:00:00",""
"7230976","14.89","0.008","10.564","0.005","23.285","0.011","90","","107.455","0.006","90","","3494","3","293","2","293","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C21 H14 Eu O8 P -","- C21 H14 Eu O8 P -","- C84 H56 Eu4 O32 P4 -","4","1","","Hu, Tuoping; Zhao, Qiannan; Huo, Liangqin; Gao, Lingling; Zhang, Jie; Wang, Xiaoqing; Fan, Liming","Two lanthanide metal‒organic frameworks constructed from tris(4-carboxyphenyl)phosphane oxide with gas adsorption and magnetic properties","CrystEngComm","2018","20","30","4291","","10.1039/C8CE00661J","","","0.71073","MoKα","","0.1846","0.0714","","","0.1614","0.2032","","","","","","0.913","","","","has coordinates,has disorder","229081","2020-10-21","18:00:00",""
"7230977","10.4402","0.0006","14.6618","0.0008","23.087","0.0013","72.521","0.002","88.719","0.002","87.591","0.002","3367.6","0.3","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H28 Dy2 O16 P2 -","- C42 H28 Dy2 O16 P2 -","- C84 H56 Dy4 O32 P4 -","2","1","","Hu, Tuoping; Zhao, Qiannan; Huo, Liangqin; Gao, Lingling; Zhang, Jie; Wang, Xiaoqing; Fan, Liming","Two lanthanide metal‒organic frameworks constructed from tris(4-carboxyphenyl)phosphane oxide with gas adsorption and magnetic properties","CrystEngComm","2018","20","30","4291","","10.1039/C8CE00661J","","","0.71073","MoKα","","0.0642","0.06","","","0.1437","0.1461","","","","","","1.117","","","","has coordinates,has disorder","229081","2020-10-21","18:00:00",""
"7230978","15.06","0.003","17.24","0.003","18.79","0.004","92.09","0.03","100.49","0.03","115.21","0.03","4304","2","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C90 H77 Co4 N14 O39.5 -","- C90 H74 Co4 N14 O39.5 -","- C180 H148 Co8 N28 O79 -","2","1","","Kyratzis, Nicholas; Cao, Winnie; Izgorodina, Ekaterina I.; Turner, David R.","Structural changes in coordination polymers in response to small changes in steric bulk (H vs. Me): an experimental and theoretical study","CrystEngComm","2018","20","29","4115","","10.1039/C8CE00744F","","","0.7108","synchrotron","","0.125","0.088","","","0.2352","0.2699","","","","","","1.007","","","","has coordinates,has disorder","228875","2020-10-21","18:00:00",""
"7230979","16.464","0.003","9.18","0.0018","25.501","0.005","90","","101.94","0.03","90","","3770.8","1.3","100","2","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H32 Co N6 O16 -","- C40 H32 Co N6 O16 -","- C160 H128 Co4 N24 O64 -","4","0.5","","Kyratzis, Nicholas; Cao, Winnie; Izgorodina, Ekaterina I.; Turner, David R.","Structural changes in coordination polymers in response to small changes in steric bulk (H vs. Me): an experimental and theoretical study","CrystEngComm","2018","20","29","4115","","10.1039/C8CE00744F","","","0.7108","synchrotron","","0.0561","0.0508","","","0.1344","0.1385","","","","","","1.052","","","","has coordinates","228875","2020-10-21","18:00:00",""
"7230980","9.669","0.0019","13.649","0.003","14.082","0.003","109.91","0.03","106.2","0.03","99.92","0.03","1602.8","0.9","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H18 N4 O8 Zn -","- C30 H18 N4 O8 Zn -","- C60 H36 N8 O16 Zn2 -","2","1","","Kyratzis, Nicholas; Cao, Winnie; Izgorodina, Ekaterina I.; Turner, David R.","Structural changes in coordination polymers in response to small changes in steric bulk (H vs. Me): an experimental and theoretical study","CrystEngComm","2018","20","29","4115","","10.1039/C8CE00744F","","","0.7108","synchrotron","","0.1466","0.0972","","","0.2803","0.3216","","","","","","1.058","","","","has coordinates","228875","2020-10-21","18:00:00",""
"7230981","26.66","0.005","7.272","0.0015","27.642","0.006","90","","90","","90","","5359","1.9","100","","100","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C60 H54 Co2 N8 O18 -","- C60 H54 Co2 N8 O18 -","- C240 H216 Co8 N32 O72 -","4","0.5","","Kyratzis, Nicholas; Cao, Winnie; Izgorodina, Ekaterina I.; Turner, David R.","Structural changes in coordination polymers in response to small changes in steric bulk (H vs. Me): an experimental and theoretical study","CrystEngComm","2018","20","29","4115","","10.1039/C8CE00744F","","","0.7108","synchrotron","","0.0929","0.0781","","","0.2057","0.2171","","","","","","1.032","","","","has coordinates","228875","2020-10-21","18:00:00",""
"7230982","27.105","0.005","14.012","0.003","7.495","0.0015","90","","94.37","0.03","90","","2838.3","1","100","2","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H30 Cu N4 O10 -","- C28 H30 Cu N4 O10 -","- C112 H120 Cu4 N16 O40 -","4","0.5","","Kyratzis, Nicholas; Cao, Winnie; Izgorodina, Ekaterina I.; Turner, David R.","Structural changes in coordination polymers in response to small changes in steric bulk (H vs. Me): an experimental and theoretical study","CrystEngComm","2018","20","29","4115","","10.1039/C8CE00744F","","","0.7108","Synchrotron","","0.1425","0.0849","","","0.2502","0.2917","","","","","","1.045","","","","has coordinates","228875","2020-10-21","18:00:00",""
"7230983","11.713","0.002","11.938","0.002","12.993","0.003","115.19","0.03","105.01","0.03","96.15","0.03","1538.1","0.8","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H18 Cu N4 O8 -","- C30 H18 Cu N4 O8 -","- C60 H36 Cu2 N8 O16 -","2","1","","Kyratzis, Nicholas; Cao, Winnie; Izgorodina, Ekaterina I.; Turner, David R.","Structural changes in coordination polymers in response to small changes in steric bulk (H vs. Me): an experimental and theoretical study","CrystEngComm","2018","20","29","4115","","10.1039/C8CE00744F","","","0.7108","synchrotron","","0.1171","0.0775","","","0.1915","0.2173","","","","","","1.055","","","","has coordinates","228875","2020-10-21","18:00:00",""
"7230984","7.251","0.0015","18.38","0.004","17.791","0.004","90","","92.74","0.03","90","","2368.4","0.9","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H16 Co N4 O8 -","- C28 H16 Co N4 O8 -","- C112 H64 Co4 N16 O32 -","4","1","","Kyratzis, Nicholas; Cao, Winnie; Izgorodina, Ekaterina I.; Turner, David R.","Structural changes in coordination polymers in response to small changes in steric bulk (H vs. Me): an experimental and theoretical study","CrystEngComm","2018","20","29","4115","","10.1039/C8CE00744F","","","0.7108","synchrotron","","0.0682","0.0657","","","0.1422","0.1444","","","","","","1.218","","","","has coordinates","228875","2020-10-21","18:00:00",""
"7230985","16.827","0.003","28.485","0.006","7.4","0.0015","90","","90.71","0.03","90","","3546.7","1.2","100","2","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H11.5 N2 O10.25 Zn -","- C18 H11 N2 O10.25 Zn -","- C144 H88 N16 O82 Zn8 -","8","1","","Kyratzis, Nicholas; Cao, Winnie; Izgorodina, Ekaterina I.; Turner, David R.","Structural changes in coordination polymers in response to small changes in steric bulk (H vs. Me): an experimental and theoretical study","CrystEngComm","2018","20","29","4115","","10.1039/C8CE00744F","","","0.7108","synchrotron","","0.0977","0.0866","","","0.2614","0.2687","","","","","","1.079","","","","has coordinates","228875","2020-10-21","18:00:00",""
"7230986","16.468","0.003","9.169","0.0018","25.512","0.005","90","","102.04","0.03","90","","3767.4","1.3","100","2","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H32 N6 O16 Zn -","- C40 H32 N6 O16 Zn -","- C160 H128 N24 O64 Zn4 -","4","0.5","","Kyratzis, Nicholas; Cao, Winnie; Izgorodina, Ekaterina I.; Turner, David R.","Structural changes in coordination polymers in response to small changes in steric bulk (H vs. Me): an experimental and theoretical study","CrystEngComm","2018","20","29","4115","","10.1039/C8CE00744F","","","0.7108","synchrotron","","0.1341","0.0901","","","0.222","0.2552","","","","","","1.043","","","","has coordinates","228875","2020-10-21","18:00:00",""
"7230987","9.864","0.002","13.216","0.003","13.312","0.003","113.74","0.03","98.29","0.03","92.58","0.03","1561.7","0.7","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H27 Cu N5 O13 -","- C32 H27 Cu N5 O13 -","- C64 H54 Cu2 N10 O26 -","2","1","","Kyratzis, Nicholas; Cao, Winnie; Izgorodina, Ekaterina I.; Turner, David R.","Structural changes in coordination polymers in response to small changes in steric bulk (H vs. Me): an experimental and theoretical study","CrystEngComm","2018","20","29","4115","","10.1039/C8CE00744F","","","0.7108","synchrotron","","0.0842","0.0684","","","0.1913","0.2073","","","","","","1.038","","","","has coordinates","228875","2020-10-21","18:00:00",""
"7230988","10.1188","0.0007","10.942","0.0011","11.7024","0.001","63.853","0.009","82.358","0.006","72.588","0.007","1109.8","0.19","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C23 H13 N3 O8.18 Zn -","- C23 H13 N3 O8.168 Zn -","- C46 H26 N6 O16.336 Zn2 -","2","1","","Shi, Ying; Song, Tian-Qun; Cao, Chun-Shuai; Zhao, Bin","A two-fold interpenetrated zinc‒organic framework: luminescence detection of CrO42−/Cr2O72− and chemical conversion of CO2","CrystEngComm","2018","20","39","6040","","10.1039/C8CE00673C","","x-ray","0.71073","MoKα","","0.0761","0.0544","","","0.1313","0.1459","","","","","","0.941","","","","has coordinates","228979","2020-10-21","18:00:00",""
"7230989","8.0233","0.0005","7.9864","0.0006","9.3673","0.0006","90","","95.686","0.002","90","","597.28","0.07","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H16 N4 O7 -","- C8 H16 N4 O7 -","- C16 H32 N8 O14 -","2","1","","Pinter, Emily N.; Cantrell, Lee S.; Day, Graeme M.; Wheeler, Kraig A.","Pasteur's tartaramide/malamide quasiracemates: new entries and departures from near inversion symmetry","CrystEngComm","2018","20","30","4213","","10.1039/C8CE00791H","","","1.54178","CuKα","","0.0284","0.0282","","","0.0752","0.0756","","","","","","1.068","","","","has coordinates","229082","2020-10-21","18:00:00",""
"7230990","31.8791","0.0012","5.0676","0.0002","8.8564","0.0004","90","","96.049","0.004","90","","1422.79","0.1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H24 N2 O4 -","- C12 H24 N2 O4 -","- C48 H96 N8 O16 -","4","0.5","","Pinter, Emily N.; Cantrell, Lee S.; Day, Graeme M.; Wheeler, Kraig A.","Pasteur's tartaramide/malamide quasiracemates: new entries and departures from near inversion symmetry","CrystEngComm","2018","20","30","4213","","10.1039/C8CE00791H","","","1.54178","CuKα","","0.046","0.0435","","","0.1163","0.1188","","","","","","1.085","","","","has coordinates","229082","2020-10-21","18:00:00",""
"7230991","9.4044","0.0002","8.2033","0.0002","7.775","0.0002","90","","101.659","0.001","90","","587.44","0.02","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H8 N2 O3 -","- C4 H8 N2 O3 -","- C16 H32 N8 O12 -","4","1","","Pinter, Emily N.; Cantrell, Lee S.; Day, Graeme M.; Wheeler, Kraig A.","Pasteur's tartaramide/malamide quasiracemates: new entries and departures from near inversion symmetry","CrystEngComm","2018","20","30","4213","","10.1039/C8CE00791H","","","1.54178","CuKα","","0.0332","0.0329","","","0.0882","0.0885","","","","","","1.009","","","","has coordinates","229082","2020-10-21","18:00:00",""
"7230992","4.9064","0.0003","8.7118","0.0006","17.1527","0.0014","102.543","0.007","96.249","0.005","90.472","0.005","711.03","0.09","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C24 H48 N4 O7 -","- C24 H48 N4 O7 -","- C24 H48 N4 O7 -","1","1","","Pinter, Emily N.; Cantrell, Lee S.; Day, Graeme M.; Wheeler, Kraig A.","Pasteur's tartaramide/malamide quasiracemates: new entries and departures from near inversion symmetry","CrystEngComm","2018","20","30","4213","","10.1039/C8CE00791H","","x-ray","1.54178","CuKα","","0.0528","0.0453","","","0.1155","0.1207","","","","","","1.049","","","","has coordinates","229082","2020-10-21","18:00:00",""
"7230993","9.8954","0.0004","19.31","0.0009","8.9868","0.0004","90","","90","","90","","1717.2","0.13","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C6 H12 N2 O4 -","- C6 H12 N2 O4 -","- C48 H96 N16 O32 -","8","1","","Pinter, Emily N.; Cantrell, Lee S.; Day, Graeme M.; Wheeler, Kraig A.","Pasteur's tartaramide/malamide quasiracemates: new entries and departures from near inversion symmetry","CrystEngComm","2018","20","30","4213","","10.1039/C8CE00791H","","","1.54178","CuKα","","0.0455","0.0371","","","0.0996","0.106","","","","","","1.025","","","","has coordinates","229082","2020-10-21","18:00:00",""
"7230994","5.0193","0.0003","8.6051","0.0006","10.2069","0.0007","69.005","0.004","77.721","0.004","89.513","0.004","401.06","0.05","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C12 H24 N4 O7 -","- C12 H24 N4 O7 -","- C12 H24 N4 O7 -","1","1","","Pinter, Emily N.; Cantrell, Lee S.; Day, Graeme M.; Wheeler, Kraig A.","Pasteur's tartaramide/malamide quasiracemates: new entries and departures from near inversion symmetry","CrystEngComm","2018","20","30","4213","","10.1039/C8CE00791H","","","1.54178","CuKα","","0.0394","0.0389","","","0.096","0.0968","","","","","","1.045","","","","has coordinates","229082","2020-10-21","18:00:00",""
"7230995","19.637","0.004","4.9347","0.0013","8.4645","0.0017","90","","92.281","0.012","90","","819.6","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 N2 O3 -","- C6 H12 N2 O3 -","- C24 H48 N8 O12 -","4","1","","Pinter, Emily N.; Cantrell, Lee S.; Day, Graeme M.; Wheeler, Kraig A.","Pasteur's tartaramide/malamide quasiracemates: new entries and departures from near inversion symmetry","CrystEngComm","2018","20","30","4213","","10.1039/C8CE00791H","","","1.54178","CuKα","","0.0734","0.0628","","","0.1894","0.2231","","","","","","1.137","","","","has coordinates","229082","2020-10-21","18:00:00",""
"7230996","8.0175","0.0004","8.1062","0.0004","9.2562","0.0004","90","","95.619","0.002","90","","598.68","0.05","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H8 N2 O4 -","- C4 H8 N2 O4 -","- C16 H32 N8 O16 -","4","1","","Pinter, Emily N.; Cantrell, Lee S.; Day, Graeme M.; Wheeler, Kraig A.","Pasteur's tartaramide/malamide quasiracemates: new entries and departures from near inversion symmetry","CrystEngComm","2018","20","30","4213","","10.1039/C8CE00791H","","","1.54178","CuKα","","0.0333","0.033","","","0.0857","0.086","","","","","","1.18","","","","has coordinates","229082","2020-10-21","18:00:00",""
"7230997","14.8822","0.0007","14.2697","0.0007","12.8142","0.0006","90","","106.409","0.002","90","","2610.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Sildenafil anisole solvate","","- C51 H68 N12 O9 S2 -","- C51 H68 N12 O9 S2 -","- C102 H136 N24 O18 S4 -","2","0.5","","Barbas, Rafael; Prohens, Rafel; Font-Bardia, Mercè; Bauzá, Antonio; Frontera, Antonio","Hydrogen bonding versus π-interactions: their key competition in sildenafil solvates","CrystEngComm","2018","20","32","4526","","10.1039/C8CE00567B","","","0.71073","MoKα","","0.0658","0.0585","","","0.1644","0.1704","","","","","","1.037","","","","has coordinates,has disorder","228927","2020-10-21","18:00:00",""
"7230998","15.6055","0.0005","13.5523","0.0004","12.5064","0.0004","90","","106.362","0.001","90","","2537.86","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Sildenafil dioxane solvate","","- C24 H34 N6 O5 S -","- C24 H34 N6 O5 S -","- C96 H136 N24 O20 S4 -","4","1","","Barbas, Rafael; Prohens, Rafel; Font-Bardia, Mercè; Bauzá, Antonio; Frontera, Antonio","Hydrogen bonding versus π-interactions: their key competition in sildenafil solvates","CrystEngComm","2018","20","32","4526","","10.1039/C8CE00567B","","","0.71073","MoKα","","0.0661","0.0405","","","0.0955","0.1181","","","","","","0.999","","","","has coordinates","228927","2020-10-21","18:00:00",""
"7230999","14.8287","0.0006","14.3781","0.0006","12.7277","0.0005","90","","106.483","0.001","90","","2602.13","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","5-[2-ethoxy-5-(4-methylpiperazin-1-yl) sulfonyl-phenyl]-1-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one","Sildenafil toluene solvate","","- C51 H68 N12 O8 S2 -","- C51 H68 N12 O8 S2 -","- C102 H136 N24 O16 S4 -","2","0.5","","Barbas, Rafael; Prohens, Rafel; Font-Bardia, Mercè; Bauzá, Antonio; Frontera, Antonio","Hydrogen bonding versus π-interactions: their key competition in sildenafil solvates","CrystEngComm","2018","20","32","4526","","10.1039/C8CE00567B","","","0.71073","MoKα","","0.0415","0.0339","","","0.0949","0.0994","","","","","","1.044","","","","has coordinates,has disorder","228927","2020-10-21","18:00:00",""
"7231000","16.3399","0.0007","8.5767","0.0003","40.1148","0.0016","90","","90","","90","","5621.8","0.4","301","2","301","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Sildenafil chloroform solvate","","- C23 H31 Cl3 N6 O4 S -","- C23 H31 Cl3 N6 O4 S -","- C184 H248 Cl24 N48 O32 S8 -","8","1","","Barbas, Rafael; Prohens, Rafel; Font-Bardia, Mercè; Bauzá, Antonio; Frontera, Antonio","Hydrogen bonding versus π-interactions: their key competition in sildenafil solvates","CrystEngComm","2018","20","32","4526","","10.1039/C8CE00567B","","","0.71073","MoKα","","0.1117","0.0661","","","0.1718","0.1981","","","","","","1.026","","","","has coordinates","228927","2020-10-21","18:00:00",""
"7231001","7.176","0.002","13.512","0.005","11.93","0.004","90","","106.582","0.005","90","","1108.7","0.6","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(3-Bromo-1-adamantyl)acetic acid, 3-Bromotricyclo[3.3.1.13,7]decane-1-acetic acid","3-bromoadamantane-1-acetic acid","","- C12 H17 Br O2 -","- C12 H17 Br O2 -","- C48 H68 Br4 O8 -","4","1","","Mohamed, Sharmarke; Li, Liang","From serendipity to supramolecular design: assessing the utility of computed crystal form landscapes in inferring the risks of crystal hydration in carboxylic acids","CrystEngComm","2018","20","39","6026","","10.1039/C8CE00758F","","","0.71073","MoKα","","0.0232","0.0188","","","0.0482","0.0499","","","","","","1.062","","","","has coordinates","228973","2020-10-21","18:00:00",""
"7231002","18.173","0.013","6.598","0.005","18.585","0.013","90","","111.339","0.011","90","","2076","3","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1-Adamantylacetic acid","1-Adamantaneacetic acid","","- C12 H18 O2 -","- C12 H18 O2 -","- C96 H144 O16 -","8","2","","Mohamed, Sharmarke; Li, Liang","From serendipity to supramolecular design: assessing the utility of computed crystal form landscapes in inferring the risks of crystal hydration in carboxylic acids","CrystEngComm","2018","20","39","6026","","10.1039/C8CE00758F","","","0.71073","MoKα","","0.0737","0.0426","","","0.0938","0.1094","","","","","","1.026","","","","has coordinates","228973","2020-10-21","18:00:00",""
"7231003","4.9952","0.0004","5.9493","0.0005","13.8126","0.0012","95.593","0.013","90.98","0.012","90.965","0.011","408.4","0.06","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H18 Ca I2 N2 O6 -","- C6 H18 Ca I2 N2 O6 -","- C6 H18 Ca I2 N2 O6 -","1","0.5","","Clulow, Rebecca; Lightfoot, Philip","New sarcosine‒metal halide complexes related to ferroelectric TSCC","CrystEngComm","2018","20","28","4012","","10.1039/C8CE00719E","","","0.71075","MoKα","","0.0904","0.0659","","","0.1615","0.1743","","","","","","1.107","","","","has coordinates","228884","2020-10-21","18:00:00",""
"7231004","9.6161","0.0008","18.9415","0.0018","9.993","0.0009","90","","90","","90","","1820.2","0.3","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C9 H25 Br2 Mg N3 O8 -","- C9 H25 Br2 Mg N3 O8 -","- C36 H100 Br8 Mg4 N12 O32 -","4","0.5","","Clulow, Rebecca; Lightfoot, Philip","New sarcosine‒metal halide complexes related to ferroelectric TSCC","CrystEngComm","2018","20","28","4012","","10.1039/C8CE00719E","","","0.71075","MoKα","","0.1277","0.0506","","","0.1188","0.1662","","","","","","0.892","","","","has coordinates","228884","2020-10-21","18:00:00",""
"7231005","9.2414","0.0006","17.6966","0.0013","10.3565","0.0007","90","","90","","90","","1693.7","0.2","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C9 H21 Br2 Ca N3 O6 -","- C9 H21 Br2 Ca N3 O6 -","- C36 H84 Br8 Ca4 N12 O24 -","4","0.5","","Clulow, Rebecca; Lightfoot, Philip","New sarcosine‒metal halide complexes related to ferroelectric TSCC","CrystEngComm","2018","20","28","4012","","10.1039/C8CE00719E","","","0.71075","MoKα","","0.1348","0.0499","","","0.1264","0.179","","","","","","0.945","","","","has coordinates","228884","2020-10-21","18:00:00",""
"7231006","11.288","0.0008","10.062","0.0007","23.0573","0.0016","90","","103.722","0.004","90","","2544.1","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H32 Ca I2 N4 O10 -","- C12 H32 Ca I2 N4 O10 -","- C48 H128 Ca4 I8 N16 O40 -","4","1","","Clulow, Rebecca; Lightfoot, Philip","New sarcosine‒metal halide complexes related to ferroelectric TSCC","CrystEngComm","2018","20","28","4012","","10.1039/C8CE00719E","","","0.71075","MoKα","","0.0653","0.0392","","","0.105","0.1279","","","","","","0.878","","","","has coordinates","228884","2020-10-21","18:00:00",""
"7231007","9.1728","0.0007","17.8422","0.0014","10.42","0.0008","90","","90","","90","","1705.4","0.2","173","2","173","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C9 H21 Br2 Ca0.61 N3 O6 Sr0.4 -","- C9 H21 Br2 Ca0.605 N3 O6 Sr0.395 -","- C36 H84 Br8 Ca2.42 N12 O24 Sr1.58 -","4","0.5","","Clulow, Rebecca; Lightfoot, Philip","New sarcosine‒metal halide complexes related to ferroelectric TSCC","CrystEngComm","2018","20","28","4012","","10.1039/C8CE00719E","","","0.71075","MoKα","","0.0787","0.0384","","","0.112","0.1421","","","","","","0.895","","","","has coordinates","228884","2020-10-21","18:00:00",""
"7231008","5.0003","0.0005","5.9936","0.0006","13.845","0.0015","95.502","0.019","91.031","0.019","91.228","0.017","412.84","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H18 Ca I2 N2 O6 -","- C6 H18 Ca I2 N2 O6 -","- C6 H18 Ca I2 N2 O6 -","1","0.5","","Clulow, Rebecca; Lightfoot, Philip","New sarcosine‒metal halide complexes related to ferroelectric TSCC","CrystEngComm","2018","20","28","4012","","10.1039/C8CE00719E","","","0.71075","MoKα","","0.0886","0.0422","","","0.1041","0.1271","","","","","","0.64","","","","has coordinates","228884","2020-10-21","18:00:00",""
"7231009","9.8652","0.0007","19.267","0.0015","10.3186","0.0008","90","","90","","90","","1961.3","0.3","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C9 H25 I2 Mn N3 O8 -","- C9 H25 I2 Mn N3 O8 -","- C36 H100 I8 Mn4 N12 O32 -","4","0.5","","Clulow, Rebecca; Lightfoot, Philip","New sarcosine‒metal halide complexes related to ferroelectric TSCC","CrystEngComm","2018","20","28","4012","","10.1039/C8CE00719E","","","0.71075","MoKα","","0.0916","0.0421","","","0.0964","0.1239","","","","","","0.977","","","","has coordinates","228884","2020-10-21","18:00:00",""
"7231010","11.3056","0.0007","10.0982","0.0007","23.1494","0.0016","90","","103.484","0.008","90","","2570","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H32 Ca I2 N4 O10 -","- C12 H32 Ca I2 N4 O10 -","- C48 H128 Ca4 I8 N16 O40 -","4","1","","Clulow, Rebecca; Lightfoot, Philip","New sarcosine‒metal halide complexes related to ferroelectric TSCC","CrystEngComm","2018","20","28","4012","","10.1039/C8CE00719E","","","0.71075","MoKα","","0.1344","0.0545","","","0.136","0.1725","","","","","","0.826","","","","has coordinates","228884","2020-10-21","18:00:00",""
"7231011","4.7711","0.0004","5.3186","0.0004","13.5193","0.0012","84.365","0.012","82.08","0.012","87.969","0.012","338.06","0.05","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H18 Cl2 Mg N2 O6 -","- C6 H18 Cl2 Mg N2 O6 -","- C6 H18 Cl2 Mg N2 O6 -","1","0.5","","Clulow, Rebecca; Lightfoot, Philip","New sarcosine‒metal halide complexes related to ferroelectric TSCC","CrystEngComm","2018","20","28","4012","","10.1039/C8CE00719E","","","0.71075","MoKα","","0.092","0.0625","","","0.2379","0.2468","","","","","","1.639","","","","has coordinates","228884","2020-10-21","18:00:00",""
"7231012","8.7723","0.0006","10.5359","0.0007","36.582","0.0003","90","","90","","90","","3381.1","0.3","173","2","173","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C9 H21 Br2 N3 O6 Sr -","- C9 H21 Br2 N3 O6 Sr -","- C72 H168 Br16 N24 O48 Sr8 -","8","1","","Clulow, Rebecca; Lightfoot, Philip","New sarcosine‒metal halide complexes related to ferroelectric TSCC","CrystEngComm","2018","20","28","4012","","10.1039/C8CE00719E","","","0.71075","MoKα","","0.0445","0.0307","","","0.1102","0.1299","","","","","","1.015","","","","has coordinates","228884","2020-10-21","18:00:00",""
"7231013","8.793","0.0006","10.3957","0.0007","17.9","0.0013","90","","91.982","0.006","90","","1635.2","0.2","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C9 H21 Cl2 N3 O6 Sr -","- C9 H21 Cl2 N3 O6 Sr -","- C36 H84 Cl8 N12 O24 Sr4 -","4","1","","Clulow, Rebecca; Lightfoot, Philip","New sarcosine‒metal halide complexes related to ferroelectric TSCC","CrystEngComm","2018","20","28","4012","","10.1039/C8CE00719E","","","0.71075","MoKα","","0.0955","0.0451","","","0.1118","0.1431","","","","","","0.857","","","","has coordinates","228884","2020-10-21","18:00:00",""
"7231014","4.8078","0.0004","5.3548","0.0004","13.662","0.0012","83.825","0.012","82.288","0.012","87.503","0.012","346.37","0.05","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H18 Cl2 Mn N2 O6 -","- C6 H18 Cl2 Mn N2 O6 -","- C6 H18 Cl2 Mn N2 O6 -","1","0.5","","Clulow, Rebecca; Lightfoot, Philip","New sarcosine‒metal halide complexes related to ferroelectric TSCC","CrystEngComm","2018","20","28","4012","","10.1039/C8CE00719E","","","0.71075","MoKα","","0.0777","0.0429","","","0.1082","0.1289","","","","","","0.815","","","","has coordinates","228884","2020-10-21","18:00:00",""
"7231015","8.7535","0.0006","10.3752","0.0007","17.8337","0.0013","90","","91.867","0.006","90","","1618.8","0.2","173","2","173","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C9 H21 Cl2 N3 O6 Sr -","- C9 H21 Cl2 N3 O6 Sr -","- C36 H84 Cl8 N12 O24 Sr4 -","4","1","","Clulow, Rebecca; Lightfoot, Philip","New sarcosine‒metal halide complexes related to ferroelectric TSCC","CrystEngComm","2018","20","28","4012","","10.1039/C8CE00719E","","","0.71075","MoKα","","0.0768","0.039","","","0.1001","0.1262","","","","","","0.823","","","","has coordinates","228884","2020-10-21","18:00:00",""
"7231016","8.8611","0.0006","10.5404","0.0007","36.611","0.0003","90","","90","","90","","3419.5","0.3","293","2","293","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C9 H21 Br2 N3 O6 Sr -","- C9 H21 Br2 N3 O6 Sr -","- C72 H168 Br16 N24 O48 Sr8 -","8","1","","Clulow, Rebecca; Lightfoot, Philip","New sarcosine‒metal halide complexes related to ferroelectric TSCC","CrystEngComm","2018","20","28","4012","","10.1039/C8CE00719E","","","0.71075","MoKα","","0.0845","0.0501","","","0.1551","0.1782","","","","","","1.165","","","","has coordinates","228884","2020-10-21","18:00:00",""
"7231017","4.7825","0.0005","5.3422","0.0005","13.6722","0.0014","84.343","0.017","80.426","0.017","88.026","0.017","342.71","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H18 Cl2 Mg N2 O6 -","- C6 H18 Cl2 Mg N2 O6 -","- C6 H18 Cl2 Mg N2 O6 -","1","0.5","","Clulow, Rebecca; Lightfoot, Philip","New sarcosine‒metal halide complexes related to ferroelectric TSCC","CrystEngComm","2018","20","28","4012","","10.1039/C8CE00719E","","","0.71075","MoKα","","0.1018","0.0648","","","0.2188","0.2299","","","","","","1.335","","","","has coordinates","228884","2020-10-21","18:00:00",""
"7231018","9.2414","0.0006","17.6966","0.0013","10.3565","0.0007","90","","90","","90","","1693.7","0.2","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C9 H21 Br2 Ca N3 O6 -","- C9 H21 Br2 Ca N3 O6 -","- C36 H84 Br8 Ca4 N12 O24 -","4","0.5","","Clulow, Rebecca; Lightfoot, Philip","New sarcosine‒metal halide complexes related to ferroelectric TSCC","CrystEngComm","2018","20","28","4012","","10.1039/C8CE00719E","","","0.71075","MoKα","","0.0333","0.0274","","","0.0902","0.0957","","","","","","0.799","","","","has coordinates","228884","2020-10-21","18:00:00",""
"7231019","9.5844","0.0006","18.9445","0.0013","9.9448","0.0006","90","","90","","90","","1805.7","0.2","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C9 H25 Br2 Mg N3 O8 -","- C9 H25 Br2 Mg N3 O8 -","- C36 H100 Br8 Mg4 N12 O32 -","4","0.5","","Clulow, Rebecca; Lightfoot, Philip","New sarcosine‒metal halide complexes related to ferroelectric TSCC","CrystEngComm","2018","20","28","4012","","10.1039/C8CE00719E","","","0.71075","MoKα","","0.051","0.0288","","","0.0868","0.109","","","","","","0.794","","","","has coordinates","228884","2020-10-21","18:00:00",""
"7231020","8.9965","0.0007","17.6045","0.0003","10.3191","0.0015","90","","90","","90","","1634.3","0.3","173","2","173","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C9 H21 Ca0.57 Cl2 N3 O6 Sr0.43 -","- C9 H21 Ca0.566 Cl2 N3 O6 Sr0.434 -","- C36 H84 Ca2.264 Cl8 N12 O24 Sr1.736 -","4","0.5","","Clulow, Rebecca; Lightfoot, Philip","New sarcosine‒metal halide complexes related to ferroelectric TSCC","CrystEngComm","2018","20","28","4012","","10.1039/C8CE00719E","","","0.71075","MoKα","","0.0666","0.0522","","","0.146","0.1521","","","","","","1.079","","","","has coordinates","228884","2020-10-21","18:00:00",""
"7231021","9.8288","0.0007","19.216","0.0015","10.2845","0.0008","90","","90","","90","","1942.4","0.3","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C9 H25 I2 Mn N3 O8 -","- C9 H25 I2 Mn N3 O8 -","- C36 H100 I8 Mn4 N12 O32 -","4","0.5","","Clulow, Rebecca; Lightfoot, Philip","New sarcosine‒metal halide complexes related to ferroelectric TSCC","CrystEngComm","2018","20","28","4012","","10.1039/C8CE00719E","","","0.71075","MoKα","","0.0799","0.0406","","","0.0947","0.1149","","","","","","0.978","","","","has coordinates","228884","2020-10-21","18:00:00",""
"7231022","11.8036","0.0001","33.2827","0.0004","12.5383","0.0001","90","","109.616","0.001","90","","4639.87","0.08","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","[hexakis(isonicotinoyl)cyclotricatechylene]disilver(I) tetrafluoroborate dimethylformamide hydrate","","- C81 H96 Ag2 B2 F8 N14 O22 -","- C81 H92 Ag2 B2 F8 N14 O22 -","- C162 H184 Ag4 B4 F16 N28 O44 -","2","0.5","","Thorp-Greenwood, Flora L.; Berry, Gilberte Therese; Boyadjieva, Sophia S.; Oldknow, Samuel; Hardie, Michaele J.","2D networks of metallo-capsules and other coordination polymers from a hexapodal ligand","CrystEngComm","2018","20","28","3960","","10.1039/C8CE00806J","","","1.54184","CuKα","","0.0754","0.0704","","","0.2009","0.208","","","","","","1.036","","","","has coordinates","228882","2020-10-21","18:00:00",""
"7231023","34.7067","0.0011","20.143","0.0005","32.4896","0.0013","90","","103.879","0.004","90","","22050.3","1.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","hexaaquobis{hexakis(isonicotinoyl)cyclotricatechylene}tricobalt(II)nitrate","","- C114 H84 Co3 N18 O48 -","- C114 H84 Co3 N12 O30 -","- C456 H336 Co12 N48 O120 -","4","0.5","","Thorp-Greenwood, Flora L.; Berry, Gilberte Therese; Boyadjieva, Sophia S.; Oldknow, Samuel; Hardie, Michaele J.","2D networks of metallo-capsules and other coordination polymers from a hexapodal ligand","CrystEngComm","2018","20","28","3960","","10.1039/C8CE00806J","","","1.54184","CuKα","","0.1043","0.0841","","","0.2736","0.2882","","","","","","1.107","","","","has coordinates","228882","2020-10-21","18:00:00",""
"7231024","13.6325","0.0004","14.2524","0.0002","14.6263","0.0006","81.277","0.003","67.96","0.003","79.096","0.002","2576.42","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","hexakis(isonicotinoyl)cyclotricatechylene dimethyl formamide clathrate","","- C60 H43 N7 O13 -","- C60 H43 N7 O13 -","- C120 H86 N14 O26 -","2","1","","Thorp-Greenwood, Flora L.; Berry, Gilberte Therese; Boyadjieva, Sophia S.; Oldknow, Samuel; Hardie, Michaele J.","2D networks of metallo-capsules and other coordination polymers from a hexapodal ligand","CrystEngComm","2018","20","28","3960","","10.1039/C8CE00806J","","","0.6889","synchrotron","","0.1011","0.0642","","","0.1879","0.2075","","","","","","0.969","","","","has coordinates","228882","2020-10-21","18:00:00",""
"7231025","35.931","0.0011","20.5186","0.0005","32.4986","0.0015","90","","111.33","0.003","90","","22318.5","1.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","hexabromobis{hexakis(isonicotinoyl)cyclotricatechylene}tricobalt(II) dimethylformamide","","- C120 H86 Br6 Co3 N14 O26 -","- C120 H86 Br6 Co3 N14 O26 -","- C480 H344 Br24 Co12 N56 O104 -","4","0.5","","Thorp-Greenwood, Flora L.; Berry, Gilberte Therese; Boyadjieva, Sophia S.; Oldknow, Samuel; Hardie, Michaele J.","2D networks of metallo-capsules and other coordination polymers from a hexapodal ligand","CrystEngComm","2018","20","28","3960","","10.1039/C8CE00806J","","","0.6889","synchrotron","","0.1114","0.0884","","","0.2873","0.303","","","","","","1.06","","","","has coordinates","228882","2020-10-21","18:00:00",""
"7231026","35.226","0.003","20.1867","0.0012","33.622","0.002","90","","110.454","0.009","90","","22401","3","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","hexachlorobis{hexakis(isonicotinoyl)cyclotricatechylene}tricobalt(II) dimethylformamide","","- C114 H72 Cl6 Co3 N12 O24 -","- C114 H72 Cl6 Co3 N12 O24 -","- C456 H288 Cl24 Co12 N48 O96 -","4","0.5","","Thorp-Greenwood, Flora L.; Berry, Gilberte Therese; Boyadjieva, Sophia S.; Oldknow, Samuel; Hardie, Michaele J.","2D networks of metallo-capsules and other coordination polymers from a hexapodal ligand","CrystEngComm","2018","20","28","3960","","10.1039/C8CE00806J","","","1.54184","CuKα","","0.1674","0.1297","","","0.3405","0.3663","","","","","","1.08","","","","has coordinates","228882","2020-10-21","18:00:00",""
"7231027","34.8581","0.0012","20.3238","0.0007","30.9326","0.0009","90","","97.984","0.003","90","","21701.8","1.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","hexaaquobis{hexakis(isonicotinoyl)cyclotricatechylene}tricopper(II)nitrate","","- C114 H84 Cu3 N18 O48 -","- C114 H72 Cu3 N12 O30 -","- C456 H288 Cu12 N48 O120 -","4","0.5","","Thorp-Greenwood, Flora L.; Berry, Gilberte Therese; Boyadjieva, Sophia S.; Oldknow, Samuel; Hardie, Michaele J.","2D networks of metallo-capsules and other coordination polymers from a hexapodal ligand","CrystEngComm","2018","20","28","3960","","10.1039/C8CE00806J","","","1.54184","CuKα","","0.1204","0.0957","","","0.2812","0.3043","","","","","","0.999","","","","has coordinates","228882","2020-10-21","18:00:00",""
"7231028","19.6665","0.0004","19.6665","0.0004","31.6873","0.001","90","","90","","120","","10613.8","0.5","100","2","100","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","","trisbromotriscarbonylbis{hexakis(isonicotinoyl)cyclotricatechylene}trirhenium(I) nitromethane clathrate","","- C119 H90 Br3 N14 O37 Re3 -","- C116 H78.12 Br3 N14 O33.96 Re3 -","- C348 H234.36 Br9 N42 O101.88 Re9 -","3","0.0833333","","Thorp-Greenwood, Flora L.; Berry, Gilberte Therese; Boyadjieva, Sophia S.; Oldknow, Samuel; Hardie, Michaele J.","2D networks of metallo-capsules and other coordination polymers from a hexapodal ligand","CrystEngComm","2018","20","28","3960","","10.1039/C8CE00806J","","","1.54184","CuKα","","0.1518","0.1496","","","0.497","0.5003","","","","","","2.517","","","","has coordinates","228882","2020-10-21","18:00:00",""
"7231029","35.4694","0.0008","20.3503","0.0005","33.3657","0.0007","90","","110.579","0.003","90","","22547","1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","tetraquobis{hexakis(isonicotinoyl)cyclotricatechylene}diiodotricobalt(II) iodide","","- C114 H81 Co3 I6 N12 O28.5 -","- C114 H72 Co3 I4 N12 O28.5 -","- C456 H288 Co12 I16 N48 O114 -","4","0.5","","Thorp-Greenwood, Flora L.; Berry, Gilberte Therese; Boyadjieva, Sophia S.; Oldknow, Samuel; Hardie, Michaele J.","2D networks of metallo-capsules and other coordination polymers from a hexapodal ligand","CrystEngComm","2018","20","28","3960","","10.1039/C8CE00806J","","","1.54184","CuKα","","0.162","0.1409","","","0.393","0.4171","","","","","","1.559","","","","has coordinates,has disorder","228882","2020-10-21","18:00:00",""
"7231030","18.1806","0.0011","18.4809","0.0011","19.4599","0.0013","103.319","0.006","109.243","0.006","103.091","0.005","5672.3","0.7","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","[hexakis(isonicotinoyl)cyclotricatechylene] tris(trifluoroacetate)(isoniconinate)dicopper(II)","","","- C69 H40 Cu2 F9 N7 O20 -","- C69 H40 Cu2 F9 N7 O20 -","- C138 H80 Cu4 F18 N14 O40 -","2","1","","Thorp-Greenwood, Flora L.; Berry, Gilberte Therese; Boyadjieva, Sophia S.; Oldknow, Samuel; Hardie, Michaele J.","2D networks of metallo-capsules and other coordination polymers from a hexapodal ligand","CrystEngComm","2018","20","28","3960","","10.1039/C8CE00806J","","x-ray","1.54184","CuKα","","0.1792","0.1249","","","0.3474","0.3868","","","","","","1.054","","","","has coordinates","228882","2020-10-21","18:00:00",""
"7231031","8.9164","0.0006","16.6045","0.001","16.3908","0.0011","90","","101.409","0.003","90","","2378.7","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H18 F6 N2 -","- C29 H18 F6 N2 -","- C116 H72 F24 N8 -","4","2","","Panda, Manas K.; Ravi, Nayana; Asha, P.; Prakasham, A. P.","High contrast mechanochromic and thermochromic luminescence switching by a deep red emitting organic crystal","CrystEngComm","2018","20","39","6046","","10.1039/C8CE00696B","","","0.71073","MoKα","","0.1183","0.0836","","","0.2499","0.2874","","","","","","1.045","","","","has coordinates","228968","2020-10-21","18:00:00",""
"7231032","20.84368","0.00081","20.84368","0.00081","24.3675","0.0025","90","","90","","120","","9168.3","1.1","","","298","","","","","","","","","4","P 63/m","-P 6c","176","","Hf-CAU-39","Hf-CAU-39","- C72 Hf12 N24 O104.38 -","- C72 Hf12 N24 O104.38 -","- C144 Hf24 N48 O208.76 -","2","0.166667","","Waitschat, Steve; Reinsch, Helge; Arpacioglu, Merve; Stock, Norbert","Direct water-based synthesis and characterization of new Zr/Hf-MOFs with dodecanuclear clusters as IBUs","CrystEngComm","2018","20","35","5108","","10.1039/C8CE00949J","","","1.5406","","","","","","","","","","","","","","","","","","has coordinates","229125","2020-10-21","18:00:00",""
"7231033","16.9172","0.0002","16.9172","0.0002","17.9975","0.0003","90","","90","","120","","4460.67","0.11","150","0.1","150","0.1","","","","","","","","5","P 31","P 31","144","","","","- C65 H64 Fe N12 O7 -","- C65 H59 Fe N12 O6 -","- C195 H177 Fe3 N36 O18 -","3","1","","Abhervé, Alexandre; Benmansour, Samia; Gómez-García, Carlos José; Avarvari, Narcis","Iron(ii) and cobalt(ii) complexes based on anionic phenanthroline-imidazolate ligands: reversible single-crystal-to-single-crystal transformations","CrystEngComm","2018","20","29","4141","","10.1039/C8CE00561C","","","1.54184","CuKα","","0.043","0.0381","","","0.0979","0.1048","","","","","","1.069","","","","has coordinates","228877","2020-10-21","18:00:00",""
"7231034","17.079","0.0013","17.079","0.0013","17.9429","0.0016","90","","90","","120","","4532.6","0.6","150.01","0.1","150.01","0.1","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C65 H66 Co N12 O8 -","- C57 H36 Co N12 O4 -","- C171 H108 Co3 N36 O12 -","3","0.166667","","Abhervé, Alexandre; Benmansour, Samia; Gómez-García, Carlos José; Avarvari, Narcis","Iron(ii) and cobalt(ii) complexes based on anionic phenanthroline-imidazolate ligands: reversible single-crystal-to-single-crystal transformations","CrystEngComm","2018","20","29","4141","","10.1039/C8CE00561C","","","1.54184","CuKα","","0.0612","0.0506","","","0.133","0.1468","","","","","","1.044","","","","has coordinates","228877","2020-10-21","18:00:00",""
"7231035","17.008","0.0015","17.008","0.0015","18.496","0.0018","90","","90","","120","","4633.6","0.7","150","0.1","150","0.1","","","","","","","","5","P 31","P 31","144","","","","- C69 H70 Fe N12 O7 -","- C61 H43 Fe N12 O5 -","- C183 H129 Fe3 N36 O15 -","3","1","","Abhervé, Alexandre; Benmansour, Samia; Gómez-García, Carlos José; Avarvari, Narcis","Iron(ii) and cobalt(ii) complexes based on anionic phenanthroline-imidazolate ligands: reversible single-crystal-to-single-crystal transformations","CrystEngComm","2018","20","29","4141","","10.1039/C8CE00561C","","","1.54184","CuKα","","0.1264","0.0828","","","0.1954","0.2231","","","","","","0.938","","","","has coordinates","228877","2020-10-21","18:00:00",""
"7231036","17.7212","0.0004","18.6855","0.0006","20.2478","0.0004","90","","90","","90","","6704.6","0.3","150","0.1","150","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C68 H68 F9 Fe N12 O11 -","- C62 H36 F9 Fe N12 O -","- C248 H144 F36 Fe4 N48 O4 -","4","1","","Abhervé, Alexandre; Benmansour, Samia; Gómez-García, Carlos José; Avarvari, Narcis","Iron(ii) and cobalt(ii) complexes based on anionic phenanthroline-imidazolate ligands: reversible single-crystal-to-single-crystal transformations","CrystEngComm","2018","20","29","4141","","10.1039/C8CE00561C","","","1.54184","CuKα","","0.0721","0.0618","","","0.1705","0.1839","","","","","","1.063","","","","has coordinates","228877","2020-10-21","18:00:00",""
"7231037","17.0059","0.0002","17.0059","0.0002","17.2491","0.0002","90","","90","","120","","4320.13","0.09","150","0.1","150","0.1","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C57 H44 Fe N12 O5 -","- C57 H39 Fe N12 O4 -","- C171 H117 Fe3 N36 O12 -","3","0.166667","","Abhervé, Alexandre; Benmansour, Samia; Gómez-García, Carlos José; Avarvari, Narcis","Iron(ii) and cobalt(ii) complexes based on anionic phenanthroline-imidazolate ligands: reversible single-crystal-to-single-crystal transformations","CrystEngComm","2018","20","29","4141","","10.1039/C8CE00561C","","","1.54184","CuKα","","0.038","0.0378","","","0.1089","0.1092","","","","","","1.088","","","","has coordinates","228877","2020-10-21","18:00:00",""
"7231038","18.1082","0.0008","15.7956","0.0005","20.1176","0.0008","90","","100.471","0.004","90","","5658.4","0.4","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H47 Co F9 N12 O4 -","- C60 H31 Co F9 N12 O2 -","- C240 H124 Co4 F36 N48 O8 -","4","1","","Abhervé, Alexandre; Benmansour, Samia; Gómez-García, Carlos José; Avarvari, Narcis","Iron(ii) and cobalt(ii) complexes based on anionic phenanthroline-imidazolate ligands: reversible single-crystal-to-single-crystal transformations","CrystEngComm","2018","20","29","4141","","10.1039/C8CE00561C","","","1.54184","CuKα","","0.111","0.0772","","","0.2246","0.2542","","","","","","1.059","","","","has coordinates,has disorder","228877","2020-10-21","18:00:00",""
"7231043","11.7141","0.0003","18.6463","0.0005","27.0913","0.0007","90","","90","","90","","5917.4","0.3","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H30 N2 O5 -","- C16 H30 N2 O5 -","- C192 H360 N24 O60 -","12","3","","Giri, Rajat Subhra; Mandal, Bhubaneswar","Boc-Val-Val-OMe (Aβ39‒40) and Boc-Ile-Ala-OMe (Aβ41‒42) crystallize in a parallel β-sheet arrangement but generate a different morphology","CrystEngComm","2018","20","31","4441","","10.1039/C8CE00097B","","","0.71073","MoKα","","0.0857","0.059","","","0.1475","0.1639","","","","","","1.08","","","","has coordinates","229086","2020-10-21","18:00:00",""
"7231044","5.0771","0.0006","10.394","0.0019","33.371","0.007","90","","90","","90","","1761","0.5","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H28 N2 O5 -","- C15 H28 N2 O5 -","- C60 H112 N8 O20 -","4","1","","Giri, Rajat Subhra; Mandal, Bhubaneswar","Boc-Val-Val-OMe (Aβ39‒40) and Boc-Ile-Ala-OMe (Aβ41‒42) crystallize in a parallel β-sheet arrangement but generate a different morphology","CrystEngComm","2018","20","31","4441","","10.1039/C8CE00097B","","","1.54184","CuKα","","0.1034","0.0806","","","0.2175","0.2645","","","","","","1.067","","","","has coordinates","229086","2020-10-21","18:00:00",""
"7231045","9.9154","0.0008","9.9154","0.0008","21.343","0.002","90","","90","","90","","2098.3","0.3","296","2","296","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","Λ-bis[N-2-(pyridyl)salicylaldiminato-κ^2^N,O]zinc(II)","","- C24 H18 N4 O2 Zn -","- C24 H18 N4 O2 Zn -","- C96 H72 N16 O8 Zn4 -","4","0.5","","Enamullah, Mohammed; Vasylyeva, Vera; Quddus, Mohammad Abdul; Islam, Mohammad Khairul; Höfert, Simon-Patrick; Janiak, Christoph","Spontaneous resolution of a Δ/Λ-chiral-at-metal pseudo-tetrahedral Schiff-base zinc complex to a racemic conglomerate with C‒H⋯O organized 41- and 43-helices","CrystEngComm","2018","20","33","4724","","10.1039/C8CE00839F","","","0.71073","MoKα","","0.0217","0.0191","","","0.0485","0.0505","","","","","","1.092","","","","has coordinates","228948","2020-10-21","18:00:00",""
"7231046","9.9138","0.0003","9.9138","0.0003","21.3276","0.0008","90","","90","","90","","2096.15","0.12","296","2","296","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","Λ-bis[N-2-(pyridyl)salicylaldiminato-κ^2^N,O]zinc(II)","","- C24 H18 N4 O2 Zn -","- C24 H18 N4 O2 Zn -","- C96 H72 N16 O8 Zn4 -","4","0.5","","Enamullah, Mohammed; Vasylyeva, Vera; Quddus, Mohammad Abdul; Islam, Mohammad Khairul; Höfert, Simon-Patrick; Janiak, Christoph","Spontaneous resolution of a Δ/Λ-chiral-at-metal pseudo-tetrahedral Schiff-base zinc complex to a racemic conglomerate with C‒H⋯O organized 41- and 43-helices","CrystEngComm","2018","20","33","4724","","10.1039/C8CE00839F","","","1.54178","CuKα","","0.0204","0.0203","","","0.0538","0.0539","","","","","","1.143","","","","has coordinates","228948","2020-10-21","18:00:00",""
"7231047","9.9041","0.0003","9.9041","0.0003","21.3545","0.0007","90","","90","","90","","2094.69","0.11","296","2","296","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","Λ-bis[N-2-(pyridyl)salicylaldiminato-κ^2^N,O]zinc(II)","","- C24 H18 N4 O2 Zn -","- C24 H18 N4 O2 Zn -","- C96 H72 N16 O8 Zn4 -","4","0.5","","Enamullah, Mohammed; Vasylyeva, Vera; Quddus, Mohammad Abdul; Islam, Mohammad Khairul; Höfert, Simon-Patrick; Janiak, Christoph","Spontaneous resolution of a Δ/Λ-chiral-at-metal pseudo-tetrahedral Schiff-base zinc complex to a racemic conglomerate with C‒H⋯O organized 41- and 43-helices","CrystEngComm","2018","20","33","4724","","10.1039/C8CE00839F","","","1.54178","CuKα","","0.0197","0.0197","","","0.0507","0.0507","","","","","","1.134","","","","has coordinates","228948","2020-10-21","18:00:00",""
"7231048","9.8663","0.0006","9.8663","0.0006","21.1146","0.0017","90","","90","","90","","2055.4","0.2","150","2","150","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","Λ-bis[N-2-(pyridyl)salicylaldiminato-κ^2^N,O]zinc(II)","","- C24 H18 N4 O2 Zn -","- C24 H18 N4 O2 Zn -","- C96 H72 N16 O8 Zn4 -","4","0.5","","Enamullah, Mohammed; Vasylyeva, Vera; Quddus, Mohammad Abdul; Islam, Mohammad Khairul; Höfert, Simon-Patrick; Janiak, Christoph","Spontaneous resolution of a Δ/Λ-chiral-at-metal pseudo-tetrahedral Schiff-base zinc complex to a racemic conglomerate with C‒H⋯O organized 41- and 43-helices","CrystEngComm","2018","20","33","4724","","10.1039/C8CE00839F","","","0.71073","MoKα","","0.0187","0.0178","","","0.0473","0.0477","","","","","","1.137","","","","has coordinates","228948","2020-10-21","18:00:00",""
"7231049","9.9077","0.0012","9.9077","0.0012","21.33","0.003","90","","90","","90","","2093.8","0.5","296","2","296","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","Δ-bis[N-2-(pyridyl)salicylaldiminato-κ^2^N,O]zinc(II)","","- C24 H18 N4 O2 Zn -","- C24 H18 N4 O2 Zn -","- C96 H72 N16 O8 Zn4 -","4","0.5","","Enamullah, Mohammed; Vasylyeva, Vera; Quddus, Mohammad Abdul; Islam, Mohammad Khairul; Höfert, Simon-Patrick; Janiak, Christoph","Spontaneous resolution of a Δ/Λ-chiral-at-metal pseudo-tetrahedral Schiff-base zinc complex to a racemic conglomerate with C‒H⋯O organized 41- and 43-helices","CrystEngComm","2018","20","33","4724","","10.1039/C8CE00839F","","","1.54178","CuKα","","0.0197","0.0193","","","0.0502","0.0509","","","","","","1.127","","","","has coordinates","228948","2020-10-21","18:00:00",""
"7231050","9.8592","0.0004","9.8592","0.0004","21.122","0.001","90","","90","","90","","2053.14","0.15","150","2","150","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","Λ-bis[N-2-(pyridyl)salicylaldiminato-κ^2^N,O]zinc(II)","","- C24 H18 N4 O2 Zn -","- C24 H18 N4 O2 Zn -","- C96 H72 N16 O8 Zn4 -","4","0.5","","Enamullah, Mohammed; Vasylyeva, Vera; Quddus, Mohammad Abdul; Islam, Mohammad Khairul; Höfert, Simon-Patrick; Janiak, Christoph","Spontaneous resolution of a Δ/Λ-chiral-at-metal pseudo-tetrahedral Schiff-base zinc complex to a racemic conglomerate with C‒H⋯O organized 41- and 43-helices","CrystEngComm","2018","20","33","4724","","10.1039/C8CE00839F","","","0.71073","MoKα","","0.0162","0.016","","","0.044","0.0442","","","","","","1.129","","","","has coordinates","228948","2020-10-21","18:00:00",""
"7231051","9.8258","0.0019","9.8258","0.0019","21.005","0.005","90","","90","","90","","2028","0.7","95","2","95","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","Δ-bis[N-2-(pyridyl)salicylaldiminato-κ^2^N,O]zinc(II)","","- C24 H18 N4 O2 Zn -","- C24 H18 N4 O2 Zn -","- C96 H72 N16 O8 Zn4 -","4","0.5","","Enamullah, Mohammed; Vasylyeva, Vera; Quddus, Mohammad Abdul; Islam, Mohammad Khairul; Höfert, Simon-Patrick; Janiak, Christoph","Spontaneous resolution of a Δ/Λ-chiral-at-metal pseudo-tetrahedral Schiff-base zinc complex to a racemic conglomerate with C‒H⋯O organized 41- and 43-helices","CrystEngComm","2018","20","33","4724","","10.1039/C8CE00839F","","","0.71073","MoKα","","0.0164","0.0156","","","0.0405","0.0408","","","","","","1.08","","","","has coordinates","228948","2020-10-21","18:00:00",""
"7231052","9.8329","0.0012","9.8329","0.0012","21.061","0.002","90","","90","","90","","2036.3","0.4","95","2","95","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","Δ-bis[N-2-(pyridyl)salicylaldiminato-κ^2^N,O]zinc(II)","","- C24 H18 N4 O2 Zn -","- C24 H18 N4 O2 Zn -","- C96 H72 N16 O8 Zn4 -","4","0.5","","Enamullah, Mohammed; Vasylyeva, Vera; Quddus, Mohammad Abdul; Islam, Mohammad Khairul; Höfert, Simon-Patrick; Janiak, Christoph","Spontaneous resolution of a Δ/Λ-chiral-at-metal pseudo-tetrahedral Schiff-base zinc complex to a racemic conglomerate with C‒H⋯O organized 41- and 43-helices","CrystEngComm","2018","20","33","4724","","10.1039/C8CE00839F","","","0.71073","MoKα","","0.0266","0.0235","","","0.0565","0.0575","","","","","","1.04","","","","has coordinates","228948","2020-10-21","18:00:00",""
"7231057","4.5145","0.0004","12.0237","0.0011","28.87","0.003","90","","90","","90","","1567.1","0.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H6 N12 O10 -","- C8 H6 N12 O10 -","- C32 H24 N48 O40 -","4","0.5","","Sun, Qi; Lin, Qiuhan; Lu, Ming","Nitramino-functionalized tetracyclic oxadiazoles as energetic materials with high performance and high stability: crystal structures and energetic properties","CrystEngComm","2018","20","30","4321","","10.1039/C8CE00857D","","","0.71073","MoKα","","0.0733","0.0431","","","0.0876","0.0991","","","","","","1.041","","","","has coordinates","229080","2020-10-21","18:00:00",""
"7231058","4.7645","0.0006","6.9326","0.0008","12.4985","0.0014","100.528","0.004","93.057","0.004","108.417","0.004","382.35","0.08","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 K2 N12 O8 -","- C8 K2 N12 O8 -","- C8 K2 N12 O8 -","1","0.5","","Sun, Qi; Lin, Qiuhan; Lu, Ming","Nitramino-functionalized tetracyclic oxadiazoles as energetic materials with high performance and high stability: crystal structures and energetic properties","CrystEngComm","2018","20","30","4321","","10.1039/C8CE00857D","","","0.71073","MoKα","","0.0783","0.0419","","","0.0696","0.0791","","","","","","1.047","","","","has coordinates","229080","2020-10-21","18:00:00",""
"7231059","8.0468","0.0005","16.0227","0.001","8.3828","0.0004","90","","105.085","0.002","90","","1043.56","0.1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N20 O8 -","- C12 H10 N20 O8 -","- C24 H20 N40 O16 -","2","0.5","","Sun, Qi; Lin, Qiuhan; Lu, Ming","Nitramino-functionalized tetracyclic oxadiazoles as energetic materials with high performance and high stability: crystal structures and energetic properties","CrystEngComm","2018","20","30","4321","","10.1039/C8CE00857D","","","0.71073","MoKα","","0.0558","0.0369","","","0.0766","0.0837","","","","","","1.026","","","","has coordinates","229080","2020-10-21","18:00:00",""
"7231060","11.9711","0.0012","6.8493","0.0006","13.2618","0.0012","90","","102.882","0.003","90","","1060.02","0.17","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N20 O8 -","- C12 H10 N20 O8 -","- C24 H20 N40 O16 -","2","0.5","","Sun, Qi; Lin, Qiuhan; Lu, Ming","Nitramino-functionalized tetracyclic oxadiazoles as energetic materials with high performance and high stability: crystal structures and energetic properties","CrystEngComm","2018","20","30","4321","","10.1039/C8CE00857D","","","0.71073","MoKα","","0.0864","0.0453","","","0.082","0.0942","","","","","","1.048","","","","has coordinates","229080","2020-10-21","18:00:00",""
"7231061","14.701","0.003","4.1634","0.0007","14.187","0.0019","90","","110.503","0.007","90","","813.3","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 N14 O10 -","- C8 H8 N14 O10 -","- C16 H16 N28 O20 -","2","0.5","","Sun, Qi; Lin, Qiuhan; Lu, Ming","Nitramino-functionalized tetracyclic oxadiazoles as energetic materials with high performance and high stability: crystal structures and energetic properties","CrystEngComm","2018","20","30","4321","","10.1039/C8CE00857D","","","0.71073","MoKα","","0.1322","0.0606","","","0.0982","0.1195","","","","","","1.047","","","","has coordinates","229080","2020-10-21","18:00:00",""
"7231062","28.666","0.003","4.5532","0.0005","14.061","0.0016","90","","95.658","0.004","90","","1826.3","0.3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H10 N16 O10 -","- C9 H10 N16 O10 -","- C36 H40 N64 O40 -","4","0.5","","Sun, Qi; Lin, Qiuhan; Lu, Ming","Nitramino-functionalized tetracyclic oxadiazoles as energetic materials with high performance and high stability: crystal structures and energetic properties","CrystEngComm","2018","20","30","4321","","10.1039/C8CE00857D","","","0.71073","MoKα","","0.1185","0.0629","","","0.1186","0.1414","","","","","","1.051","","","","has coordinates,has disorder","229080","2020-10-21","18:00:00",""
"7231063","7.0523","0.0007","19.0738","0.0019","9.4159","0.0012","90","","111.758","0.004","90","","1176.3","0.2","171","2","171","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 N22 O10 -","- C12 H16 N22 O10 -","- C24 H32 N44 O20 -","2","0.5","","Sun, Qi; Lin, Qiuhan; Lu, Ming","Nitramino-functionalized tetracyclic oxadiazoles as energetic materials with high performance and high stability: crystal structures and energetic properties","CrystEngComm","2018","20","30","4321","","10.1039/C8CE00857D","","","0.71073","MoKα","","0.0868","0.0486","","","0.0865","0.0978","","","","","","1.043","","","","has coordinates","229080","2020-10-21","18:00:00",""
"7231067","7.5056","0.0003","25.0862","0.0009","15.2376","0.0006","90","","93.195","0.002","90","","2864.58","0.19","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H37 N11 O7 -","- C26 H37 N11 O7 -","- C104 H148 N44 O28 -","4","1","","Hasa, Dritan; Pastore, Mariana; Arhangelskis, Mihails; Gabriele, Benjamin; Cruz-Cabeza, Aurora J.; Rauber, Gabriela Schneider; Bond, Andrew D.; Jones, William","On the kinetics of solvate formation through mechanochemistry","CrystEngComm","2019","21","13","2097","","10.1039/C8CE00871J","","","1.54178","CuKα","","0.0471","0.0414","","","0.1073","0.111","","","","","","1.057","","","","has coordinates","223641","2020-10-21","18:00:00",""
"7231068","6.6482","0.0003","8.7311","0.0004","10.9852","0.0005","82.631","0.002","84.273","0.002","83.701","0.003","626.18","0.05","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H15 N5 O3 -","- C11 H15 N5 O3 -","- C22 H30 N10 O6 -","2","1","","Hasa, Dritan; Pastore, Mariana; Arhangelskis, Mihails; Gabriele, Benjamin; Cruz-Cabeza, Aurora J.; Rauber, Gabriela Schneider; Bond, Andrew D.; Jones, William","On the kinetics of solvate formation through mechanochemistry","CrystEngComm","2019","21","13","2097","","10.1039/C8CE00871J","","","1.54178","CuKα","","0.0434","0.0351","","","0.0855","0.0896","","","","","","1.048","","","","has coordinates","223641","2020-10-21","18:00:00",""
"7231069","19.8185","0.0005","19.8185","0.0005","26.1867","0.0006","90","","90","","90","","10285.4","0.4","99.96","","99.96","","","","","","","","","5","I -4","I -4","82","","","","- As4 Na5.35 O182.4 U2 W40 -","- As4 Na5.35 O182.4 U2 W40 -","- As8 Na10.7 O364.8 U4 W80 -","2","0.25","","DUFAYE, Maxime; Duval, Sylvain; Hirsou, Bastien; Stoclet, Grégory; Loiseau, Thierry","Complexation of tetravalent uranium cations by the As4W40O140 cryptand","CrystEngComm","2018","","","","","10.1039/C8CE00873F","","","0.71073","MoKα","","0.0743","0.0457","","","0.0917","0.1017","","","","","","0.994","","","","has coordinates","208810","2020-10-21","18:00:00",""
"7231070","23.184","0.002","29.532","0.003","14.5168","0.0013","90","","90","","90","","9939.2","1.6","100","","100","","","","","","","","","6","P m m n :2","-P 2ab 2a","59","","","","- C3.5 As4 Na13 O226 U4 W40 -","- C3.5 As4 Na13 O226 U4 W40 -","- C7 As8 Na26 O452 U8 W80 -","2","0.25","","DUFAYE, Maxime; Duval, Sylvain; Hirsou, Bastien; Stoclet, Grégory; Loiseau, Thierry","Complexation of tetravalent uranium cations by the As4W40O140 cryptand","CrystEngComm","2018","","","","","10.1039/C8CE00873F","","x-ray","0.56086","AgKα","","0.0524","0.0408","","","0.1149","0.138","","","","","","1.049","","","","has coordinates,has disorder","290444","2024-03-12","09:55:31",""
"7231071","19.5645","0.0007","26.6677","0.001","38.3039","0.0015","106.064","0.002","96.373","0.002","90.129","0.002","19074.3","1.3","99.97","","99.97","","","","","","","","","6","P -1","-P 1","2","","","","- C3.5 As4 Na7.5 O186.5 U2 W40 -","- C3.5 As4 Na7.5 O186.5 U2 W40 -","- C14 As16 Na30 O746 U8 W160 -","4","2","","DUFAYE, Maxime; Duval, Sylvain; Hirsou, Bastien; Stoclet, Grégory; Loiseau, Thierry","Complexation of tetravalent uranium cations by the As4W40O140 cryptand","CrystEngComm","2018","","","","","10.1039/C8CE00873F","","x-ray","0.71073","MoKα","","0.1385","0.0769","","","0.1438","0.1672","","","","","","1.03","","","","has coordinates","290444","2024-03-12","09:55:31",""
"7231072","8.42518","0.00012","8.39871","0.00016","20.2469","0.0003","90","","91.5852","0.0013","90","","1432.14","0.04","150.04","0.1","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H26 B N O5 -","- C10 H26 B N O5 -","- C40 H104 B4 N4 O20 -","4","1","","Ploszajski, Anna R.; Billing, Matthew; Cockcroft, Jeremy K.; Skipper, Neal T.","Crystalline structure of an ammonia borane‒polyethylene oxide cocrystal: a material investigated for its hydrogen storage potential","CrystEngComm","2018","20","31","4436","","10.1039/C8CE00872H","","x-ray","1.54184","CuKα","","0.0628","0.0587","","","0.1684","0.1727","","","","","","1.03","","","","has coordinates","229085","2020-10-21","18:00:00",""
"7231073","8.4668","0.0007","8.4576","0.0008","20.568","0.002","90","","90.676","0.009","90","","1472.7","0.2","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H26 B N O5 -","- C10 H26 B N O5 -","- C40 H104 B4 N4 O20 -","4","1","","Ploszajski, Anna R.; Billing, Matthew; Cockcroft, Jeremy K.; Skipper, Neal T.","Crystalline structure of an ammonia borane‒polyethylene oxide cocrystal: a material investigated for its hydrogen storage potential","CrystEngComm","2018","20","31","4436","","10.1039/C8CE00872H","","x-ray","1.54184","CuKα","","0.119","0.0649","","","0.1692","0.2091","","","","","","1.064","","","","has coordinates","229085","2020-10-21","18:00:00",""
"7231077","13.436","0.003","19.819","0.003","13.591","0.003","90","","118.29","0.02","90","","3186.9","1.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H36 Cl3 N7 O3 -","- C30 H36 Cl3 N7 O3 -","- C120 H144 Cl12 N28 O12 -","4","1","","Manna, Utsab; Das, Gopal","Halo-methylphenyl substituted neutral tripodal receptors for cation-assisted encapsulation of anionic guests of varied dimensionality","CrystEngComm","2018","20","31","4406","","10.1039/C8CE00885J","","","0.71073","MoKα","","0.3471","0.1065","","","0.155","0.2133","","","","","","1.106","","","","has coordinates","229087","2020-10-21","18:00:00",""
"7231078","16.7927","0.0012","21.2995","0.0013","14.8349","0.0006","90","","90","","90","","5306.1","0.5","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C46 H72 Br Cl3 N8 O3 -","- C46 H72 Br Cl3 N8 O3 -","- C184 H288 Br4 Cl12 N32 O12 -","4","1","","Manna, Utsab; Das, Gopal","Halo-methylphenyl substituted neutral tripodal receptors for cation-assisted encapsulation of anionic guests of varied dimensionality","CrystEngComm","2018","20","31","4406","","10.1039/C8CE00885J","","","0.71073","MoKα","","0.2022","0.0901","","","0.1589","0.2352","","","","","","0.836","","","","has coordinates,has disorder","229087","2020-10-21","18:00:00",""
"7231079","8.9493","0.0005","22.5028","0.0014","25.721","0.002","90","","90.732","0.006","90","","5179.4","0.6","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H72 Br3 F N8 O3 -","- C46 H72 Br3 F N8 O3 -","- C184 H288 Br12 F4 N32 O12 -","4","1","","Manna, Utsab; Das, Gopal","Halo-methylphenyl substituted neutral tripodal receptors for cation-assisted encapsulation of anionic guests of varied dimensionality","CrystEngComm","2018","20","31","4406","","10.1039/C8CE00885J","","","0.71073","MoKα","","0.1567","0.0677","","","0.1564","0.2007","","","","","","1.103","","","","has coordinates","229087","2020-10-21","18:00:00",""
"7231080","15.372","0.006","21.983","0.006","26.797","0.009","90","","92.632","0.01","90","","9046","5","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C60 H70 Br6 F6 N14 O6 Si -","- C60 H70 Br6 F6 N14 O6 Si -","- C240 H280 Br24 F24 N56 O24 Si4 -","4","0.5","","Manna, Utsab; Das, Gopal","Halo-methylphenyl substituted neutral tripodal receptors for cation-assisted encapsulation of anionic guests of varied dimensionality","CrystEngComm","2018","20","31","4406","","10.1039/C8CE00885J","","","0.71073","MoKα","","0.3126","0.0927","","","0.209","0.2246","","","","","","1.101","","","","has coordinates","229087","2020-10-21","18:00:00",""
"7231081","13.6203","0.0007","16.4617","0.0006","25.0998","0.0013","108.871","0.004","95.521","0.004","91.523","0.004","5290.6","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C92 H143 Cl6 N16 O10 S -","- C92 H143 Cl6 N16 O10 S -","- C184 H286 Cl12 N32 O20 S2 -","2","1","","Manna, Utsab; Das, Gopal","Halo-methylphenyl substituted neutral tripodal receptors for cation-assisted encapsulation of anionic guests of varied dimensionality","CrystEngComm","2018","20","31","4406","","10.1039/C8CE00885J","","","0.71073","MoKα","","0.2075","0.0964","","","0.2502","0.312","","","","","","1.173","","","","has coordinates","229087","2020-10-21","18:00:00",""
"7231082","19.3717","0.0013","22.5639","0.0014","19.5218","0.001","90","","92.14","0.006","90","","8527","0.9","298","2","298","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C77 H110 Cl6 N16 O9 -","- C77 H110 Cl6 N16 O9 -","- C308 H440 Cl24 N64 O36 -","4","1","","Manna, Utsab; Das, Gopal","Halo-methylphenyl substituted neutral tripodal receptors for cation-assisted encapsulation of anionic guests of varied dimensionality","CrystEngComm","2018","20","31","4406","","10.1039/C8CE00885J","","","0.71073","MoKα","","0.2546","0.0973","","","0.1486","0.2015","","","","","","1.161","","","","has coordinates,has disorder","229087","2020-10-21","18:00:00",""
"7231083","13.738","0.002","16.583","0.003","25.631","0.004","108.151","0.015","97.637","0.012","93.047","0.014","5471.6","1.6","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C92 H144 Br6 N16 O10 S -","- C92 H144 Br6 N16 O10 S -","- C184 H288 Br12 N32 O20 S2 -","2","1","","Manna, Utsab; Das, Gopal","Halo-methylphenyl substituted neutral tripodal receptors for cation-assisted encapsulation of anionic guests of varied dimensionality","CrystEngComm","2018","20","31","4406","","10.1039/C8CE00885J","","","0.71073","MoKα","","0.1626","0.099","","","0.2657","0.3247","","","","","","1.193","","","","has coordinates","229087","2020-10-21","18:00:00",""
"7231084","13.5642","0.0008","29.3201","0.0014","17.5854","0.0014","90","","109.811","0.008","90","","6579.9","0.8","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H36 Br3 N7 O3 -","- C30 H36 Br3 N7 O3 -","- C240 H288 Br24 N56 O24 -","8","2","","Manna, Utsab; Das, Gopal","Halo-methylphenyl substituted neutral tripodal receptors for cation-assisted encapsulation of anionic guests of varied dimensionality","CrystEngComm","2018","20","31","4406","","10.1039/C8CE00885J","","","0.71073","MoKα","","0.2589","0.0703","","","0.141","0.2393","","","","","","0.884","","","","has coordinates","229087","2020-10-21","18:00:00",""
"7231085","16.6856","0.0013","21.5029","0.0018","14.7395","0.0013","90","","90","","90","","5288.4","0.8","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C46 H71 Cl4 N8 O3 -","- C46 H71 Cl4 N8 O3 -","- C184 H284 Cl16 N32 O12 -","4","1","","Manna, Utsab; Das, Gopal","Halo-methylphenyl substituted neutral tripodal receptors for cation-assisted encapsulation of anionic guests of varied dimensionality","CrystEngComm","2018","20","31","4406","","10.1039/C8CE00885J","","","0.71073","MoKα","","0.1871","0.0956","","","0.1837","0.2218","","","","","","1.19","","","","has coordinates","229087","2020-10-21","18:00:00",""
"7231086","19.954","0.003","9.7592","0.0012","7.2875","0.001","90","","90","","90","","1419.1","0.3","173","0.1","173","0.1","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C20 H14 N2 -","- C20 H14 N2 -","- C80 H56 N8 -","4","0.5","","Ion, Adrian E.; Dogaru, Andreea; Shova, Sergiu; Madalan, Augustin M.; Akintola, Oluseun; Ionescu, Sorana; Voicescu, Mariana; Nica, Simona; Buchholz, Axel; Plass, Winfried; Andruh, Marius","Organic co-crystals of 1,3-bis(4-pyridyl)azulene with a series of hydrogen-bond donors","CrystEngComm","2018","20","31","4463","","10.1039/C8CE00945G","","","0.71073","MoKα","","0.0582","0.0449","","","0.099","0.1091","","","","","","1.059","","","","has coordinates","229083","2020-10-21","18:00:00",""
"7231087","12.4512","0.0009","19.7388","0.0014","14.6081","0.0015","90","","90","","90","","3590.3","0.5","172.8","0.3","172.8","0.3","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C48 H35 N4 O4 -","- C48 H35 N4 O4 -","- C192 H140 N16 O16 -","4","0.5","","Ion, Adrian E.; Dogaru, Andreea; Shova, Sergiu; Madalan, Augustin M.; Akintola, Oluseun; Ionescu, Sorana; Voicescu, Mariana; Nica, Simona; Buchholz, Axel; Plass, Winfried; Andruh, Marius","Organic co-crystals of 1,3-bis(4-pyridyl)azulene with a series of hydrogen-bond donors","CrystEngComm","2018","20","31","4463","","10.1039/C8CE00945G","","","0.71073","MoKα","","0.0847","0.0559","","","0.1299","0.1477","","","","","","1.033","","","","has coordinates","229083","2020-10-21","18:00:00",""
"7231088","21.627","0.002","7.3399","0.0007","20.281","0.003","90","","117.943","0.007","90","","2844.1","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H21.7 N2 O6.85 -","- C29 H21.7 N2 O6.85 -","- C116 H86.8 N8 O27.4 -","4","1","","Ion, Adrian E.; Dogaru, Andreea; Shova, Sergiu; Madalan, Augustin M.; Akintola, Oluseun; Ionescu, Sorana; Voicescu, Mariana; Nica, Simona; Buchholz, Axel; Plass, Winfried; Andruh, Marius","Organic co-crystals of 1,3-bis(4-pyridyl)azulene with a series of hydrogen-bond donors","CrystEngComm","2018","20","31","4463","","10.1039/C8CE00945G","","","0.71073","MoKα","","0.1492","0.0821","","","0.2051","0.2523","","","","","","0.992","","","","has coordinates,has disorder","229083","2020-10-21","18:00:00",""
"7231089","7.1365","0.0009","22.3829","0.0014","30.1328","0.0015","90","","90","","90","","4813.3","0.7","200","0.1","200","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H24 N2 O2 -","- C32 H24 N2 O2 -","- C256 H192 N16 O16 -","8","1","","Ion, Adrian E.; Dogaru, Andreea; Shova, Sergiu; Madalan, Augustin M.; Akintola, Oluseun; Ionescu, Sorana; Voicescu, Mariana; Nica, Simona; Buchholz, Axel; Plass, Winfried; Andruh, Marius","Organic co-crystals of 1,3-bis(4-pyridyl)azulene with a series of hydrogen-bond donors","CrystEngComm","2018","20","31","4463","","10.1039/C8CE00945G","","","0.71073","MoKα","","0.1141","0.0593","","","0.1003","0.1224","","","","","","1.005","","","","has coordinates","229083","2020-10-21","18:00:00",""
"7231090","13.1102","0.0005","14.3955","0.0006","30.2012","0.0014","90","","90","","90","","5699.8","0.4","293","2","293","2","","","","","","","","4","P n c a","-P 2a 2n","60","","","","- C31 H25.5 N2.5 O7 -","- C31 H23 N2.5 O7 -","- C248 H184 N20 O56 -","8","1","","Ion, Adrian E.; Dogaru, Andreea; Shova, Sergiu; Madalan, Augustin M.; Akintola, Oluseun; Ionescu, Sorana; Voicescu, Mariana; Nica, Simona; Buchholz, Axel; Plass, Winfried; Andruh, Marius","Organic co-crystals of 1,3-bis(4-pyridyl)azulene with a series of hydrogen-bond donors","CrystEngComm","2018","20","31","4463","","10.1039/C8CE00945G","","","0.71073","MoKα","","0.1011","0.068","","","0.1947","0.2262","","","","","","1.035","","","","has coordinates","229083","2020-10-21","18:00:00",""
"7231091","52.2362","0.0018","7.4175","0.0003","32.1601","0.0012","90","","104.831","0.004","90","","12045.7","0.8","200.05","0.1","200.05","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C72 H55.5 N6 O10.75 -","- C72 H55.5 N6 O10.75 -","- C576 H444 N48 O86 -","8","1","","Ion, Adrian E.; Dogaru, Andreea; Shova, Sergiu; Madalan, Augustin M.; Akintola, Oluseun; Ionescu, Sorana; Voicescu, Mariana; Nica, Simona; Buchholz, Axel; Plass, Winfried; Andruh, Marius","Organic co-crystals of 1,3-bis(4-pyridyl)azulene with a series of hydrogen-bond donors","CrystEngComm","2018","20","31","4463","","10.1039/C8CE00945G","","","0.71073","MoKα","","0.0938","0.0655","","","0.1671","0.1859","","","","","","1.052","","","","has coordinates,has disorder","229083","2020-10-21","18:00:00",""
"7231092","28.5523","0.0008","28.5523","0.0008","28.3085","0.001","90","","90","","120","","19986.2","1.1","100","2","100","2","","","","","","","","5","R 3 :H","R 3","146","","poly-{[tris(mu7-1,3,5-tris(4-carboxyphenyl)benzene-kO:kO':kO'':kO''':k2O'''',O''''':kO'''':kO''''')bis(mu9-1,3,5-tris(4-carboxyphenyl)benzene-kO:kO:kO':kO'':kO'':kO''':kO'''':kO'''':kO''''')(mu6-1,3,5-tris(4-carboxyphenyl)benzene-kO:kO':kO'':kO''':kO'''':kO''''')nonakis(dimethylformamide)octadecacalcium(II)] heneicosa(dimetylfomramide)}","","- C84 H100 Ca3 N10 O22 -","- C66 H58 Ca3 N4 O16 -","- C594 H522 Ca27 N36 O144 -","9","1","","Briones, David; Leo, Pedro; Cepeda, Javier; Orcajo, Gisela; Calleja, Guillermo; Sanz, Raúl; Rodríguez-Diéguez, Antonio; Martínez, Fernando","Alkaline-earth metal based MOFs with second scale long-lasting phosphor behavior","CrystEngComm","2018","20","33","4793","","10.1039/C8CE00479J","","","0.71073","MoKα","","0.0933","0.0637","","","0.1558","0.1697","","","","","","0.991","","","","has coordinates","228950","2020-10-21","18:00:00",""
"7231093","10.8141","0.0012","10.8141","0.0012","10.244","0.002","90","","90","","120","","1037.5","0.3","100","2","100","2","","","","","","","","5","P 31","P 31","144","","poly-[(mu5-2-amino-1,4-benzenedicarboxylate -kO:k2O,O':kO':k2O'',O''':kO'')(dimethylformamide)barium(II)]","","- C11 H12 Ba N2 O5 -","- C11 H5 Ba N2 O5 -","- C33 H15 Ba3 N6 O15 -","3","1","","Briones, David; Leo, Pedro; Cepeda, Javier; Orcajo, Gisela; Calleja, Guillermo; Sanz, Raúl; Rodríguez-Diéguez, Antonio; Martínez, Fernando","Alkaline-earth metal based MOFs with second scale long-lasting phosphor behavior","CrystEngComm","2018","20","33","4793","","10.1039/C8CE00479J","","","0.71073","MoKα","","0.0386","0.0359","","","0.074","0.0759","","","","","","1.041","","","","has coordinates,has disorder","228950","2020-10-21","18:00:00",""
"7231094","12.54","0.005","6.683","0.005","19.46","0.005","90","","116.17","0.02","90","","1463.7","1.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","poly-{[diaqua(mu-1,4-benzenedicarboxylate-k2O,O':k2O'',O''')(mu6-1,4-benzenedicarboxylate-?O:?2O,O':?O':?O'':?2O'',O''':?O''' ) bis(dimethylformamide)dicalcium(II)] tetrahydrate}","","- C11 H17 Ca N O8 -","- C11 H13 Ca N O6 -","- C44 H52 Ca4 N4 O24 -","4","1","","Briones, David; Leo, Pedro; Cepeda, Javier; Orcajo, Gisela; Calleja, Guillermo; Sanz, Raúl; Rodríguez-Diéguez, Antonio; Martínez, Fernando","Alkaline-earth metal based MOFs with second scale long-lasting phosphor behavior","CrystEngComm","2018","20","33","4793","","10.1039/C8CE00479J","","","0.71073","MoKα","","0.0581","0.0502","","","0.1472","0.1543","","","","","","1.061","","","","has coordinates,has disorder","228950","2020-10-21","18:00:00",""
"7231102","21.5521","0.0008","7.4568","0.0003","11.8391","0.0005","90","","97.832","0.002","90","","1884.91","0.13","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 N4 O S3 -","- C17 H18 N4 O S3 -","- C68 H72 N16 O4 S12 -","4","1","","Pino-Cuevas, Arantxa; Graña, Ana; Abram, Ulrich; Carballo, Rosa; Vázquez-López, Ezequiel M.","Structural study of mono-, di- and tetranuclear complexes of the {Re(CO)3}+ fragment with thiosemicarbazone/thiosemicarbazonate ligands containing benzothiazole or benzoxazole groups","CrystEngComm","2018","20","33","4781","","10.1039/C8CE00874D","","","1.54178","CuKα","","0.0564","0.0525","","","0.1455","0.1492","","","","","","1.043","","","","has coordinates,has disorder","228947","2020-10-21","18:00:00",""
"7231103","13.212","0.0012","8.2301","0.0008","28.449","0.002","90","","95.856","0.006","90","","3077.3","0.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 N4 S2 -","- C16 H14 N4 S2 -","- C128 H112 N32 S16 -","8","1","","Pino-Cuevas, Arantxa; Graña, Ana; Abram, Ulrich; Carballo, Rosa; Vázquez-López, Ezequiel M.","Structural study of mono-, di- and tetranuclear complexes of the {Re(CO)3}+ fragment with thiosemicarbazone/thiosemicarbazonate ligands containing benzothiazole or benzoxazole groups","CrystEngComm","2018","20","33","4781","","10.1039/C8CE00874D","","","1.54178","CuKα","","0.1091","0.0966","","","0.2433","0.2531","","","","","","1.039","","","","has coordinates,has disorder","228947","2020-10-21","18:00:00",""
"7231104","8.4909","0.0002","10.4575","0.0002","17.7945","0.0004","90","","100.289","0.001","90","","1554.63","0.06","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 N4 S2 -","- C16 H14 N4 S2 -","- C64 H56 N16 S8 -","4","1","","Pino-Cuevas, Arantxa; Graña, Ana; Abram, Ulrich; Carballo, Rosa; Vázquez-López, Ezequiel M.","Structural study of mono-, di- and tetranuclear complexes of the {Re(CO)3}+ fragment with thiosemicarbazone/thiosemicarbazonate ligands containing benzothiazole or benzoxazole groups","CrystEngComm","2018","20","33","4781","","10.1039/C8CE00874D","","","1.54178","CuKα","","0.0393","0.0357","","","0.0937","0.0961","","","","","","1.035","","","","has coordinates","228947","2020-10-21","18:00:00",""
"7231105","6.7644","0.0005","7.2881","0.0005","21.7998","0.0015","92.975","0.003","93.114","0.002","101.098","0.003","1050.93","0.13","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H14 Br N4 O3 Re S2 -","- C19 H14 Br N4 O3 Re S2 -","- C38 H28 Br2 N8 O6 Re2 S4 -","2","1","","Pino-Cuevas, Arantxa; Graña, Ana; Abram, Ulrich; Carballo, Rosa; Vázquez-López, Ezequiel M.","Structural study of mono-, di- and tetranuclear complexes of the {Re(CO)3}+ fragment with thiosemicarbazone/thiosemicarbazonate ligands containing benzothiazole or benzoxazole groups","CrystEngComm","2018","20","33","4781","","10.1039/C8CE00874D","","","1.54178","CuKα","","0.0325","0.0288","","","0.0717","0.0739","","","","","","1.054","","","","has coordinates","228947","2020-10-21","18:00:00",""
"7231106","13.674","0.0003","10.4643","0.0002","19.2746","0.0004","90","","110.406","0.001","90","","2584.9","0.09","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 Cl N4 O3 Re S2 -","- C25 H18 Cl N4 O3 Re S2 -","- C100 H72 Cl4 N16 O12 Re4 S8 -","4","1","","Pino-Cuevas, Arantxa; Graña, Ana; Abram, Ulrich; Carballo, Rosa; Vázquez-López, Ezequiel M.","Structural study of mono-, di- and tetranuclear complexes of the {Re(CO)3}+ fragment with thiosemicarbazone/thiosemicarbazonate ligands containing benzothiazole or benzoxazole groups","CrystEngComm","2018","20","33","4781","","10.1039/C8CE00874D","","","1.54178","CuKα","","0.0303","0.0285","","","0.0775","0.08","","","","","","1.002","","","","has coordinates","228947","2020-10-21","18:00:00",""
"7231107","7.658","0.003","8.649","0.003","16.281","0.011","90.16","0.03","97.44","0.04","99.22","0.02","1055.2","0.9","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C4.75 H3.5 Cl0.25 N O0.75 Re0.25 S0.5 -","- C4.75 H3.5 Cl0.25 N O0.75 Re0.25 S0.5 -","- C38 H28 Cl2 N8 O6 Re2 S4 -","8","4","","Pino-Cuevas, Arantxa; Graña, Ana; Abram, Ulrich; Carballo, Rosa; Vázquez-López, Ezequiel M.","Structural study of mono-, di- and tetranuclear complexes of the {Re(CO)3}+ fragment with thiosemicarbazone/thiosemicarbazonate ligands containing benzothiazole or benzoxazole groups","CrystEngComm","2018","20","33","4781","","10.1039/C8CE00874D","","","1.54178","CuKα","","0.0229","0.0211","","","0.0534","0.0546","","","","","","1.061","","","","has coordinates","228947","2020-10-21","18:00:00",""
"7231108","10.2951","0.0008","16.0225","0.0016","13.4259","0.0011","90","","104.251","0.006","90","","2146.5","0.3","293","2","293","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C40 H30 Br0 N8 O6 Re2 S4 -","- C40 H30 N8 O6 Re2 S4 -","- C80 H60 N16 O12 Re4 S8 -","2","0.5","","Pino-Cuevas, Arantxa; Graña, Ana; Abram, Ulrich; Carballo, Rosa; Vázquez-López, Ezequiel M.","Structural study of mono-, di- and tetranuclear complexes of the {Re(CO)3}+ fragment with thiosemicarbazone/thiosemicarbazonate ligands containing benzothiazole or benzoxazole groups","CrystEngComm","2018","20","33","4781","","10.1039/C8CE00874D","","","0.71073","MoKα","","0.0903","0.0461","","","0.0922","0.1031","","","","","","0.907","","","","has coordinates","228947","2020-10-21","18:00:00",""
"7231109","7.0142","0.001","10.5833","0.0015","26.777","0.004","90","","92.457","0.008","90","","1985.9","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 N4 O2 S2 -","- C19 H22 N4 O2 S2 -","- C76 H88 N16 O8 S8 -","4","1","","Pino-Cuevas, Arantxa; Graña, Ana; Abram, Ulrich; Carballo, Rosa; Vázquez-López, Ezequiel M.","Structural study of mono-, di- and tetranuclear complexes of the {Re(CO)3}+ fragment with thiosemicarbazone/thiosemicarbazonate ligands containing benzothiazole or benzoxazole groups","CrystEngComm","2018","20","33","4781","","10.1039/C8CE00874D","","","1.54178","CuKα","","0.0982","0.0768","","","0.2154","0.2405","","","","","","1.072","","","","has coordinates","228947","2020-10-21","18:00:00",""
"7231110","11.1685","0.0011","11.8169","0.0012","14.2696","0.0015","67.082","0.004","69.126","0.003","83.278","0.004","1620.2","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H26 Br N4 O3 Re S2 -","- C32 H26 Br N4 O3 Re S2 -","- C64 H52 Br2 N8 O6 Re2 S4 -","2","1","","Pino-Cuevas, Arantxa; Graña, Ana; Abram, Ulrich; Carballo, Rosa; Vázquez-López, Ezequiel M.","Structural study of mono-, di- and tetranuclear complexes of the {Re(CO)3}+ fragment with thiosemicarbazone/thiosemicarbazonate ligands containing benzothiazole or benzoxazole groups","CrystEngComm","2018","20","33","4781","","10.1039/C8CE00874D","","","1.54178","CuKα","","0.0296","0.0263","","","0.0665","0.0688","","","","","","1.082","","","","has coordinates","228947","2020-10-21","18:00:00",""
"7231111","8.6134","0.0003","11.6521","0.0005","12.9674","0.0005","65.0899","0.0012","83.9903","0.0015","89.3394","0.0018","1173.13","0.08","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H16 Br N4 O5 Re S -","- C20 H16 Br N4 O5 Re S -","- C40 H32 Br2 N8 O10 Re2 S2 -","2","1","","Pino-Cuevas, Arantxa; Graña, Ana; Abram, Ulrich; Carballo, Rosa; Vázquez-López, Ezequiel M.","Structural study of mono-, di- and tetranuclear complexes of the {Re(CO)3}+ fragment with thiosemicarbazone/thiosemicarbazonate ligands containing benzothiazole or benzoxazole groups","CrystEngComm","2018","20","33","4781","","10.1039/C8CE00874D","","","1.54178","CuKα","","0.0353","0.0344","","","0.1029","0.1047","","","","","","1.146","","","","has coordinates","228947","2020-10-21","18:00:00",""
"7231112","7.0286","0.0003","7.2375","0.0003","21.0132","0.0009","93.789","0.003","96.875","0.002","116.45","0.003","941.55","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 N4 O2 S2 -","- C18 H20 N4 O2 S2 -","- C36 H40 N8 O4 S4 -","2","1","","Pino-Cuevas, Arantxa; Graña, Ana; Abram, Ulrich; Carballo, Rosa; Vázquez-López, Ezequiel M.","Structural study of mono-, di- and tetranuclear complexes of the {Re(CO)3}+ fragment with thiosemicarbazone/thiosemicarbazonate ligands containing benzothiazole or benzoxazole groups","CrystEngComm","2018","20","33","4781","","10.1039/C8CE00874D","","","1.54178","CuKα","","0.1158","0.0622","","","0.1508","0.185","","","","","","1.016","","","","has coordinates","228947","2020-10-21","18:00:00",""
"7231113","24.5508","0.0005","4.84793","0.00009","31.325","0.0006","90","","106.774","0.0009","90","","3569.69","0.12","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H16 N4 S2 -","- C17 H16 N4 S2 -","- C136 H128 N32 S16 -","8","1","","Pino-Cuevas, Arantxa; Graña, Ana; Abram, Ulrich; Carballo, Rosa; Vázquez-López, Ezequiel M.","Structural study of mono-, di- and tetranuclear complexes of the {Re(CO)3}+ fragment with thiosemicarbazone/thiosemicarbazonate ligands containing benzothiazole or benzoxazole groups","CrystEngComm","2018","20","33","4781","","10.1039/C8CE00874D","","","1.54178","CuKα","","0.0419","0.0376","","","0.1276","0.1417","","","","","","0.617","","","","has coordinates","228947","2020-10-21","18:00:00",""
"7231114","7.6843","0.0002","12.5075","0.0003","16.6105","0.0004","72.8951","0.0007","82.2567","0.0008","83.5158","0.001","1507.39","0.06","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H50 N8 O6 Re2 S4 -","- C64 H50 N8 O6 Re2 S4 -","- C64 H50 N8 O6 Re2 S4 -","1","0.5","","Pino-Cuevas, Arantxa; Graña, Ana; Abram, Ulrich; Carballo, Rosa; Vázquez-López, Ezequiel M.","Structural study of mono-, di- and tetranuclear complexes of the {Re(CO)3}+ fragment with thiosemicarbazone/thiosemicarbazonate ligands containing benzothiazole or benzoxazole groups","CrystEngComm","2018","20","33","4781","","10.1039/C8CE00874D","","","1.54178","CuKα","","0.033","0.0293","","","0.0732","0.075","","","","","","1.078","","","","has coordinates","228947","2020-10-21","18:00:00",""
"7231115","15.0539","0.001","17.4103","0.0012","20.9041","0.0014","74.153","0.004","73.586","0.004","88.641","0.004","5047.3","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C49.5 H33 N8 O6.5 Re2 S4 -","- C48 H30 N8 O6 Re2 S4 -","- C192 H120 N32 O24 Re8 S16 -","4","2","","Pino-Cuevas, Arantxa; Graña, Ana; Abram, Ulrich; Carballo, Rosa; Vázquez-López, Ezequiel M.","Structural study of mono-, di- and tetranuclear complexes of the {Re(CO)3}+ fragment with thiosemicarbazone/thiosemicarbazonate ligands containing benzothiazole or benzoxazole groups","CrystEngComm","2018","20","33","4781","","10.1039/C8CE00874D","","","1.54178","CuKα","","0.1513","0.1087","","","0.282","0.3034","","","","","","1.106","","","","has coordinates","228947","2020-10-21","18:00:00",""
"7231116","9.8797","0.0009","15.051","0.0013","18.02","0.0017","90","","96.779","0.003","90","","2660.8","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H34 Cl0 N8 O8 Re2 S2 -","- C50 H34 N8 O8 Re2 S2 -","- C100 H68 N16 O16 Re4 S4 -","2","0.5","","Pino-Cuevas, Arantxa; Graña, Ana; Abram, Ulrich; Carballo, Rosa; Vázquez-López, Ezequiel M.","Structural study of mono-, di- and tetranuclear complexes of the {Re(CO)3}+ fragment with thiosemicarbazone/thiosemicarbazonate ligands containing benzothiazole or benzoxazole groups","CrystEngComm","2018","20","33","4781","","10.1039/C8CE00874D","","","0.71073","MoKα","","0.0569","0.0461","","","0.0827","0.0852","","","","","","1.212","","","","has coordinates","228947","2020-10-21","18:00:00",""
"7231117","10.5694","0.0007","14.1822","0.001","20.5737","0.0014","90","","98.892","0.003","90","","3046.9","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 N4 O8 Re2 S2 -","- C26 H24 N4 O8 Re2 S2 -","- C104 H96 N16 O32 Re8 S8 -","4","1","","Pino-Cuevas, Arantxa; Graña, Ana; Abram, Ulrich; Carballo, Rosa; Vázquez-López, Ezequiel M.","Structural study of mono-, di- and tetranuclear complexes of the {Re(CO)3}+ fragment with thiosemicarbazone/thiosemicarbazonate ligands containing benzothiazole or benzoxazole groups","CrystEngComm","2018","20","33","4781","","10.1039/C8CE00874D","","","1.54178","CuKα","","0.0435","0.0394","","","0.1091","0.1146","","","","","","1.062","","","","has coordinates","228947","2020-10-21","18:00:00",""
"7231118","10.3658","0.0015","10.1221","0.0015","38.934","0.005","90","","94.518","0.006","90","","4072.4","1","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H26 N8 O6 Re2 S4 -","- C38 H26 N8 O6 Re2 S4 -","- C152 H104 N32 O24 Re8 S16 -","4","1","","Pino-Cuevas, Arantxa; Graña, Ana; Abram, Ulrich; Carballo, Rosa; Vázquez-López, Ezequiel M.","Structural study of mono-, di- and tetranuclear complexes of the {Re(CO)3}+ fragment with thiosemicarbazone/thiosemicarbazonate ligands containing benzothiazole or benzoxazole groups","CrystEngComm","2018","20","33","4781","","10.1039/C8CE00874D","","","1.54178","CuKα","","0.0374","0.0336","","","0.0948","0.0979","","","","","","1.002","","","","has coordinates,has disorder","228947","2020-10-21","18:00:00",""
"7231121","12.0843","0.0006","19.092","0.0009","20.1439","0.001","90","","91.114","0.002","90","","4646.6","0.4","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C47 H36 Co2 N8 O13 -","- C47 H36 Co2 N8 O13 -","- C188 H144 Co8 N32 O52 -","4","1","","Fan, Liming; Zhang, Yujuan; Liang, Jinfang; Wang, Xiaoqing; Lv, Hongxiao; Wang, Jiang; Zhao, Li; Zhang, Xiutang","Structural diversity, magnetic properties, and luminescence sensing of five 3D coordination polymers derived from designed 3,5-di(2′,4′-dicarboxylphenyl)benozoic acid","CrystEngComm","2018","20","33","4752","","10.1039/C8CE00877A","","","0.71073","MoKα","","0.1127","0.0656","","","0.1122","0.1294","","","","","","1.09","","","","has coordinates","228946","2020-10-21","18:00:00",""
"7231122","13.2168","0.0005","13.4274","0.0005","13.7151","0.0005","74.321","0.001","70.086","0.001","61.743","0.001","1998.2","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H35 Cd2 N6 O12 -","- C44 H35 Cd2 N6 O12 -","- C88 H70 Cd4 N12 O24 -","2","1","","Fan, Liming; Zhang, Yujuan; Liang, Jinfang; Wang, Xiaoqing; Lv, Hongxiao; Wang, Jiang; Zhao, Li; Zhang, Xiutang","Structural diversity, magnetic properties, and luminescence sensing of five 3D coordination polymers derived from designed 3,5-di(2′,4′-dicarboxylphenyl)benozoic acid","CrystEngComm","2018","20","33","4752","","10.1039/C8CE00877A","","","0.71073","MoKα","","0.0398","0.0356","","","0.0966","0.0993","","","","","","1.064","","","","has coordinates","228946","2020-10-21","18:00:00",""
"7231123","13.928","0.005","22.935","0.008","21.219","0.006","90","","107.49","0.02","90","","6465","4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C140 H98 Mn5 N16 O46 -","- C140 H98 Mn5 N16 O46 -","- C280 H196 Mn10 N32 O92 -","2","0.5","","Fan, Liming; Zhang, Yujuan; Liang, Jinfang; Wang, Xiaoqing; Lv, Hongxiao; Wang, Jiang; Zhao, Li; Zhang, Xiutang","Structural diversity, magnetic properties, and luminescence sensing of five 3D coordination polymers derived from designed 3,5-di(2′,4′-dicarboxylphenyl)benozoic acid","CrystEngComm","2018","20","33","4752","","10.1039/C8CE00877A","","","0.71073","MoKα","","0.107","0.0634","","","0.1741","0.2025","","","","","","1.032","","","","has coordinates,has disorder","228946","2020-10-21","18:00:00",""
"7231124","25.7978","0.0013","14.0191","0.0005","26.2388","0.0009","90","","114.875","0.003","90","","8609.2","0.6","296","2","296","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C164 H128 Cd8 N24 O54 -","- C164 H128 Cd8 N24 O54 -","- C328 H256 Cd16 N48 O108 -","2","0.25","","Fan, Liming; Zhang, Yujuan; Liang, Jinfang; Wang, Xiaoqing; Lv, Hongxiao; Wang, Jiang; Zhao, Li; Zhang, Xiutang","Structural diversity, magnetic properties, and luminescence sensing of five 3D coordination polymers derived from designed 3,5-di(2′,4′-dicarboxylphenyl)benozoic acid","CrystEngComm","2018","20","33","4752","","10.1039/C8CE00877A","","","0.71073","MoKα","","0.0827","0.0587","","","0.1533","0.1667","","","","","","1.041","","","","has coordinates","228946","2020-10-21","18:00:00",""
"7231125","11.051","0.0004","29.4197","0.0011","10.4787","0.0004","90","","97.215","0.001","90","","3379.8","0.2","293","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H26 Cd2 N4 O11 -","- C37 H26 Cd2 N4 O11 -","- C148 H104 Cd8 N16 O44 -","4","1","","Fan, Liming; Zhang, Yujuan; Liang, Jinfang; Wang, Xiaoqing; Lv, Hongxiao; Wang, Jiang; Zhao, Li; Zhang, Xiutang","Structural diversity, magnetic properties, and luminescence sensing of five 3D coordination polymers derived from designed 3,5-di(2′,4′-dicarboxylphenyl)benozoic acid","CrystEngComm","2018","20","33","4752","","10.1039/C8CE00877A","","","0.71073","MoKα","","0.0652","0.0398","","","0.0844","0.0927","","","","","","1.02","","","","has coordinates","228946","2020-10-21","18:00:00",""
"7231126","9.6","0.0004","9.86","0.0004","37.7277","0.0017","90","","90","","90","","3571.2","0.3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H34 Br3 Dy N6 O8 -","- C30 H34 Br3 Dy N6 O8 -","- C120 H136 Br12 Dy4 N24 O32 -","4","1","","Zhang, Ying-Ying; Yu, Jing-Tao; Li, Bo; Li, De-Jing; Gu, Zhi-Gang; Sun, Xiao-Fan; Cai, Hong-Ling; Kostakis, George E.; Peng, Guo","Chiral and kryptoracemic Dy(iii) complexes with field-induced single molecule magnet behavior","CrystEngComm","2018","20","32","4582","","10.1039/C8CE01052H","","","0.71073","MoKα","","0.0654","0.0451","","","0.0504","0.0534","","","","","","1.085","","","","has coordinates","228924","2020-10-21","18:00:00",""
"7231127","18.0243","0.0008","10.3625","0.0004","20.7752","0.0009","90","","107.417","0.002","90","","3702.4","0.3","166","2","166","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H30 Cl2 Dy N7 O17 -","- C30 H30 Cl2 Dy N7 O17 -","- C120 H120 Cl8 Dy4 N28 O68 -","4","2","","Zhang, Ying-Ying; Yu, Jing-Tao; Li, Bo; Li, De-Jing; Gu, Zhi-Gang; Sun, Xiao-Fan; Cai, Hong-Ling; Kostakis, George E.; Peng, Guo","Chiral and kryptoracemic Dy(iii) complexes with field-induced single molecule magnet behavior","CrystEngComm","2018","20","32","4582","","10.1039/C8CE01052H","","","0.71073","MoKα","","0.0772","0.0409","","","0.0471","0.0535","","","","","","1.033","","","","has coordinates,has disorder","228924","2020-10-21","18:00:00",""
"7231128","6.866","0.004","23.629","0.015","10.181","0.006","90","","107.96","0.02","90","","1571.2","1.6","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 Cl6 Cu N4 O0.5 Re -","- C8 H6 Cl6 Cu N4 O0.5 Re -","- C32 H24 Cl24 Cu4 N16 O2 Re4 -","4","1","","Armentano, Donatella; Sanchis-Perucho, Adrián; Rojas-Dotti, Carlos; Martínez-Lillo, José","Halogen⋯halogen interactions in the self-assembly of one-dimensional 2,2′-bipyrimidine-based CuIIReIV systems","CrystEngComm","2018","20","32","4575","","10.1039/C8CE00996A","","","0.71073","MoKα","","0.0422","0.0373","","","0.125","0.1287","","","","","","1.023","","","","has coordinates","228926","2020-10-21","18:00:00",""
"7231129","6.8596","0.0002","24.0998","0.0009","12.4418","0.0005","90","","102.665","0.002","90","","2006.77","0.13","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C9 H7 Br2 Cl7 Cu N4 Re -","- C9 H7 Br2 Cl7 Cu N4 Re -","- C36 H28 Br8 Cl28 Cu4 N16 Re4 -","4","1","","Armentano, Donatella; Sanchis-Perucho, Adrián; Rojas-Dotti, Carlos; Martínez-Lillo, José","Halogen⋯halogen interactions in the self-assembly of one-dimensional 2,2′-bipyrimidine-based CuIIReIV systems","CrystEngComm","2018","20","32","4575","","10.1039/C8CE00996A","","","0.71073","MoKα","","0.0346","0.0312","","","0.0932","0.0948","","","","","","1.181","","","","has coordinates","228926","2020-10-21","18:00:00",""
"7231133","19.385","0.002","21.884","0.002","9.657","0.002","90","0","90","0","90","0","4096.7","1","298","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C50 H49 N O5 -","- C50 H49 N O5 -","- C200 H196 N4 O20 -","4","1","","Wong, Lawrence W.-Y.; Tam, Gemma S.-S.; Chen, Xiaoyan; So, Frederick T.-K.; Soecipto, Aristyo; Sheong, Fu Kit; Sung, Herman H.-Y.; Lin, Zhenyang; Williams, Ian D.","A chiral spiroborate anion from diphenyl-l-tartramide [B{l-Tar(NHPh)2}2]−applied to some challenging resolutions","CrystEngComm","2018","20","33","4831","","10.1039/C8CE00855H","","","0.71073","MoKα","","","0.066","","","","0.059","","","","","","1.29","","","","has coordinates","228942","2020-10-21","18:00:00",""
"7231134","9.453","0.003","40.907","0.005","9.917","0.003","90","","91.57","0.02","90","","3833.4","1.7","248","","248","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C45 H47 N O6 -","- C45 H47 N O6 -","- C180 H188 N4 O24 -","4","2","","Wong, Lawrence W.-Y.; Tam, Gemma S.-S.; Chen, Xiaoyan; So, Frederick T.-K.; Soecipto, Aristyo; Sheong, Fu Kit; Sung, Herman H.-Y.; Lin, Zhenyang; Williams, Ian D.","A chiral spiroborate anion from diphenyl-l-tartramide [B{l-Tar(NHPh)2}2]−applied to some challenging resolutions","CrystEngComm","2018","20","33","4831","","10.1039/C8CE00855H","","","1.54184","CuKα","","0.049","0.041","","","","0.122","","","","","","1.05","","","","has coordinates","228942","2020-10-21","18:00:00",""
"7231135","5.51895","0.00007","15.5145","0.0002","22.2271","0.0003","90","","94.4499","0.0012","90","","1897.43","0.04","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H43.95 B N5 O10 -","- C41 H43.95 B N5 O10 -","- C82 H87.9 B2 N10 O20 -","2","1","","Wong, Lawrence W.-Y.; Tam, Gemma S.-S.; Chen, Xiaoyan; So, Frederick T.-K.; Soecipto, Aristyo; Sheong, Fu Kit; Sung, Herman H.-Y.; Lin, Zhenyang; Williams, Ian D.","A chiral spiroborate anion from diphenyl-l-tartramide [B{l-Tar(NHPh)2}2]−applied to some challenging resolutions","CrystEngComm","2018","20","33","4831","","10.1039/C8CE00855H","","x-ray","1.54184","CuKα","","0.0434","0.0414","","","0.1029","0.1045","","","","","","1.042","","","","has coordinates,has disorder","228942","2020-10-21","18:00:00",""
"7231136","30.9663","0.0009","13.3119","0.0004","7.0955","0.0003","90","","93.965","0.003","90","","2917.91","0.17","100.01","0.1","100.01","0.1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C32 H32 B N5 O8 -","- C32 H32 B N5 O8 -","- C128 H128 B4 N20 O32 -","4","1","","Wong, Lawrence W.-Y.; Tam, Gemma S.-S.; Chen, Xiaoyan; So, Frederick T.-K.; Soecipto, Aristyo; Sheong, Fu Kit; Sung, Herman H.-Y.; Lin, Zhenyang; Williams, Ian D.","A chiral spiroborate anion from diphenyl-l-tartramide [B{l-Tar(NHPh)2}2]−applied to some challenging resolutions","CrystEngComm","2018","20","33","4831","","10.1039/C8CE00855H","","x-ray","1.54184","CuKα","","0.0485","0.0425","","","0.1147","0.117","","","","","","1.043","","","","has coordinates","228942","2020-10-21","18:00:00",""
"7231137","28.62","0.0011","5.25819","0.00014","28.609","0.0009","90","","113.834","0.004","90","","3938.2","0.3","100","0.1","100","0.1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C41 H42 B N5 O8 -","- C41 H42 B N5 O8 -","- C164 H168 B4 N20 O32 -","4","1","","Wong, Lawrence W.-Y.; Tam, Gemma S.-S.; Chen, Xiaoyan; So, Frederick T.-K.; Soecipto, Aristyo; Sheong, Fu Kit; Sung, Herman H.-Y.; Lin, Zhenyang; Williams, Ian D.","A chiral spiroborate anion from diphenyl-l-tartramide [B{l-Tar(NHPh)2}2]−applied to some challenging resolutions","CrystEngComm","2018","20","33","4831","","10.1039/C8CE00855H","","x-ray","1.54184","CuKα","","0.0396","0.0364","","","0.095","0.0972","","","","","","1.039","","","","has coordinates,has disorder","228942","2020-10-21","18:00:00",""
"7231138","18.536","0.004","23.101","0.003","8.508","0.003","90","","90","","90","","3643.1","1.6","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C44 H45 N O6 -","- C44 H45 N O6 -","- C176 H180 N4 O24 -","4","1","","Wong, Lawrence W.-Y.; Tam, Gemma S.-S.; Chen, Xiaoyan; So, Frederick T.-K.; Soecipto, Aristyo; Sheong, Fu Kit; Sung, Herman H.-Y.; Lin, Zhenyang; Williams, Ian D.","A chiral spiroborate anion from diphenyl-l-tartramide [B{l-Tar(NHPh)2}2]−applied to some challenging resolutions","CrystEngComm","2018","20","33","4831","","10.1039/C8CE00855H","","","0.71073","MoKα","","0.186","0.06","","","","0.125","","","","","","1.07","","","","has coordinates","228942","2020-10-21","18:00:00",""
"7231139","18.496","0.004","23.466","0.004","8.523","0.005","90","","90","","90","","3699","2","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C44 H45 N O6 -","- C44 H41.8 N O6 -","- C176 H167.2 N4 O24 -","4","1","","Wong, Lawrence W.-Y.; Tam, Gemma S.-S.; Chen, Xiaoyan; So, Frederick T.-K.; Soecipto, Aristyo; Sheong, Fu Kit; Sung, Herman H.-Y.; Lin, Zhenyang; Williams, Ian D.","A chiral spiroborate anion from diphenyl-l-tartramide [B{l-Tar(NHPh)2}2]−applied to some challenging resolutions","CrystEngComm","2018","20","33","4831","","10.1039/C8CE00855H","","","0.71073","MoKα","","","0.113","","","","0.154","","","","","","1.29","","","","has coordinates","228942","2020-10-21","18:00:00",""
"7231140","5.5624","0.00009","19.1848","0.0003","16.7363","0.0003","90","","95.1248","0.0015","90","","1778.85","0.05","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C37 H42 B N5 O8 -","- C36.9999 H41.9997 B N5 O8 -","- C73.9998 H83.9994 B2 N10 O16 -","2","1","","Wong, Lawrence W.-Y.; Tam, Gemma S.-S.; Chen, Xiaoyan; So, Frederick T.-K.; Soecipto, Aristyo; Sheong, Fu Kit; Sung, Herman H.-Y.; Lin, Zhenyang; Williams, Ian D.","A chiral spiroborate anion from diphenyl-l-tartramide [B{l-Tar(NHPh)2}2]−applied to some challenging resolutions","CrystEngComm","2018","20","33","4831","","10.1039/C8CE00855H","","x-ray","1.54184","CuKα","","0.0322","0.03","","","0.0702","0.0714","","","","","","1.011","","","","has coordinates,has disorder","228942","2020-10-21","18:00:00",""
"7231141","8.4955","0.0014","27.439","0.004","16.401","0.002","90","","95.394","0.005","90","","3806.3","1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(2-(3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indolin]-1'-yl)ethyl isonicotinate)(2-cyanoethyl)bis(dimethylglyoximato)cobalt(III)","","- C37 H41 Co N8 O9 -","- C37 H41 Co N8 O9 -","- C148 H164 Co4 N32 O36 -","4","1","","Sekine, Akiko; Tanaka, Masato; Uekusa, Hidehiro; Yasuda, Nobuhiro","In situ control of photochromic behavior through dual photo-isomerization using cobaloxime complexes with a spiropyran derivative and 2-cyanoethyl ligands","CrystEngComm","2018","20","39","6061","","10.1039/C8CE00982A","","","1.54186","CuKα","","0.3528","0.1526","","","0.3991","0.5001","","","","","","1.096","","","","has coordinates,has disorder","228969","2020-10-21","18:00:00",""
"7231142","8.4607","0.001","27.278","0.003","16.4849","0.0019","90","","95.116","0.003","90","","3789.4","0.8","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(2-(3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indolin]-1'-yl)ethyl isonicotinate)(2-cyanoethyl)bis(dimethylglyoximato)cobalt(III)","","- C37 H41 Co N8 O9 -","- C37 H41 Co N8 O9 -","- C148 H164 Co4 N32 O36 -","4","1","","Sekine, Akiko; Tanaka, Masato; Uekusa, Hidehiro; Yasuda, Nobuhiro","In situ control of photochromic behavior through dual photo-isomerization using cobaloxime complexes with a spiropyran derivative and 2-cyanoethyl ligands","CrystEngComm","2018","20","39","6061","","10.1039/C8CE00982A","","","1.54186","CuKα","","0.2795","0.104","","","0.2785","0.3753","","","","","","0.96","","","","has coordinates","228969","2020-10-21","18:00:00",""
"7231143","8.2378","0.0007","16.8515","0.001","27.139","0.002","90","","97.961","0.005","90","","3731.1","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(2-(3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indolin]-1'-yl)ethyl isonicotinate)(2-cyanoethyl)bis(dimethylglyoximato)cobalt(III)","","- C37 H41 Co N8 O9 -","- C37 H41 Co N8 O9 -","- C148 H164 Co4 N32 O36 -","4","1","","Sekine, Akiko; Tanaka, Masato; Uekusa, Hidehiro; Yasuda, Nobuhiro","In situ control of photochromic behavior through dual photo-isomerization using cobaloxime complexes with a spiropyran derivative and 2-cyanoethyl ligands","CrystEngComm","2018","20","39","6061","","10.1039/C8CE00982A","","","0.78344","Synchrotron","","0.119","0.0628","","","0.1501","0.1994","","","","","","1.065","","","","has coordinates","228969","2020-10-21","18:00:00",""
"7231144","8.3729","0.0005","15.8749","0.001","27.9083","0.0016","90","","94.283","0.004","90","","3699.2","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(2-(3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indolin]-1'-yl)ethyl isonicotinate)(1-cyanoethyl)bis(dimethylglyoximato)cobalt(III)","","- C37 H41 Co N8 O9 -","- C37 H41 Co N8 O9 -","- C148 H164 Co4 N32 O36 -","4","1","","Sekine, Akiko; Tanaka, Masato; Uekusa, Hidehiro; Yasuda, Nobuhiro","In situ control of photochromic behavior through dual photo-isomerization using cobaloxime complexes with a spiropyran derivative and 2-cyanoethyl ligands","CrystEngComm","2018","20","39","6061","","10.1039/C8CE00982A","","","0.78344","Synchrotron","","0.2174","0.0924","","","0.2383","0.3357","","","","","","0.936","","","","has coordinates","228969","2020-10-21","18:00:00",""
"7231145","22.4072","0.0006","8.3342","0.0003","12.0143","0.0004","90","","90.452","0.002","90","","2243.55","0.13","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indolin]-1'-yl)ethyl isonicotinate","","- C26 H23 N3 O5 -","- C26 H23 N3 O5 -","- C104 H92 N12 O20 -","4","1","","Sekine, Akiko; Tanaka, Masato; Uekusa, Hidehiro; Yasuda, Nobuhiro","In situ control of photochromic behavior through dual photo-isomerization using cobaloxime complexes with a spiropyran derivative and 2-cyanoethyl ligands","CrystEngComm","2018","20","39","6061","","10.1039/C8CE00982A","","","1.54186","CuKα","","0.048","0.0434","","","0.1222","0.1259","","","","","","1.112","","","","has coordinates","228969","2020-10-21","18:00:00",""
"7231146","12.212","0.005","14.092","0.005","16.78","0.006","90","","95.617","0.009","90","","2873.8","1.9","173","","173","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C25 H24 Co N4 O4 S -","- C25 H24 Co N4 O4 S -","- C100 H96 Co4 N16 O16 S4 -","4","1","","Fan, Chuanbin; Zong, Ziao; Zhang, Xia; Xu, Cungang; Zhu, Zheng; Meng, Xiangmin; Bi, Shuangyu; Fan, Yuhua","Rational assembly of functional Co-MOFs via a mixed-ligand strategy: synthesis, structure, topological variation, photodegradation properties and dye adsorption","CrystEngComm","2018","20","34","4973","","10.1039/C8CE00868J","","","0.71073","MoKα","","0.1463","0.0966","","","0.2684","0.3101","","","","","","1.073","","","","has coordinates,has disorder","229142","2020-10-21","18:00:00",""
"7231147","11.3482","0.0004","18.4529","0.0007","14.3356","0.0005","90","","96.578","0.007","90","","2982.22","0.19","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H27 Co N6 O7 S -","- C30 H27 Co N6 O7 S -","- C120 H108 Co4 N24 O28 S4 -","4","1","","Fan, Chuanbin; Zong, Ziao; Zhang, Xia; Xu, Cungang; Zhu, Zheng; Meng, Xiangmin; Bi, Shuangyu; Fan, Yuhua","Rational assembly of functional Co-MOFs via a mixed-ligand strategy: synthesis, structure, topological variation, photodegradation properties and dye adsorption","CrystEngComm","2018","20","34","4973","","10.1039/C8CE00868J","","","0.70932","","","0.0736","0.0538","","","0.0985","0.1048","","","","","","1.121","","","","has coordinates,has disorder","229142","2020-10-21","18:00:00",""
"7231148","11.5511","0.0006","8.067","0.0005","29.2049","0.0015","90","","99.972","0.003","90","","2680.3","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H24 Co N6 O5 -","- C31 H24 Co N6 O5 -","- C124 H96 Co4 N24 O20 -","4","1","","Fan, Chuanbin; Zong, Ziao; Zhang, Xia; Xu, Cungang; Zhu, Zheng; Meng, Xiangmin; Bi, Shuangyu; Fan, Yuhua","Rational assembly of functional Co-MOFs via a mixed-ligand strategy: synthesis, structure, topological variation, photodegradation properties and dye adsorption","CrystEngComm","2018","20","34","4973","","10.1039/C8CE00868J","","","0.71073","MoKα","","0.0789","0.0743","","","0.2239","0.2332","","","","","","1.051","","","","has coordinates","229142","2020-10-21","18:00:00",""
"7231149","22.37","0.004","12.624","0.003","15.05","0.003","90","","125.507","0.002","90","","3459.8","1.2","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C41 H28 Co N4 O4 S -","- C41 H28 Co N4 O4 S -","- C164 H112 Co4 N16 O16 S4 -","4","1","","Fan, Chuanbin; Zong, Ziao; Zhang, Xia; Xu, Cungang; Zhu, Zheng; Meng, Xiangmin; Bi, Shuangyu; Fan, Yuhua","Rational assembly of functional Co-MOFs via a mixed-ligand strategy: synthesis, structure, topological variation, photodegradation properties and dye adsorption","CrystEngComm","2018","20","34","4973","","10.1039/C8CE00868J","","","0.71073","MoKα","","0.0557","0.0511","","","0.1424","0.1461","","","","","","1.09","","","","has coordinates,has disorder","229142","2020-10-21","18:00:00",""
"7231150","7.4917","0.0003","10.1964","0.0005","10.7392","0.0005","87.751","0.002","88.834","0.002","83.063","0.002","813.62","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","1","0.5","","Shrivastava, Ashutosh; Negi, Lalita; Das, Dinabandhu","Area negative thermal expansion in a mixed metal mixed organic MOF: “elevator-platform” mechanism induced by O‒H⋯O hydrogen bonding","CrystEngComm","2018","20","33","4719","","10.1039/C8CE00939B","","","0.71073","MoKα","","0.0227","0.0218","","","0.0585","0.0592","","","","","","1.031","","","","has coordinates","228943","2020-10-21","18:00:00",""
"7231151","7.5057","0.0003","10.1962","0.0004","10.7404","0.0004","87.714","0.001","88.893","0.002","83.112","0.002","815.29","0.05","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","1","0.5","","Shrivastava, Ashutosh; Negi, Lalita; Das, Dinabandhu","Area negative thermal expansion in a mixed metal mixed organic MOF: “elevator-platform” mechanism induced by O‒H⋯O hydrogen bonding","CrystEngComm","2018","20","33","4719","","10.1039/C8CE00939B","","","0.71073","MoKα","","0.0232","0.022","","","0.0586","0.0593","","","","","","1.08","","","","has coordinates","228943","2020-10-21","18:00:00",""
"7231152","7.4983","0.0004","10.1975","0.0005","10.7404","0.0005","87.741","0.002","88.851","0.002","83.088","0.002","814.55","0.07","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","1","0.5","","Shrivastava, Ashutosh; Negi, Lalita; Das, Dinabandhu","Area negative thermal expansion in a mixed metal mixed organic MOF: “elevator-platform” mechanism induced by O‒H⋯O hydrogen bonding","CrystEngComm","2018","20","33","4719","","10.1039/C8CE00939B","","","0.71073","MoKα","","0.0234","0.0222","","","0.0576","0.0584","","","","","","1.067","","","","has coordinates","228943","2020-10-21","18:00:00",""
"7231153","7.5903","0.0003","10.1829","0.0005","10.727","0.0005","87.424","0.002","89.206","0.002","83.038","0.002","822.13","0.06","260","2","260","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","1","0.5","","Shrivastava, Ashutosh; Negi, Lalita; Das, Dinabandhu","Area negative thermal expansion in a mixed metal mixed organic MOF: “elevator-platform” mechanism induced by O‒H⋯O hydrogen bonding","CrystEngComm","2018","20","33","4719","","10.1039/C8CE00939B","","","0.71073","MoKα","","0.0253","0.0232","","","0.062","0.0632","","","","","","1.073","","","","has coordinates,has disorder","228943","2020-10-21","18:00:00",""
"7231154","7.5714","0.0003","10.1868","0.0004","10.7325","0.0004","87.5","0.002","89.133","0.002","83.101","0.002","820.96","0.06","240","2","240","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","1","0.5","","Shrivastava, Ashutosh; Negi, Lalita; Das, Dinabandhu","Area negative thermal expansion in a mixed metal mixed organic MOF: “elevator-platform” mechanism induced by O‒H⋯O hydrogen bonding","CrystEngComm","2018","20","33","4719","","10.1039/C8CE00939B","","","0.71073","MoKα","","0.0258","0.0238","","","0.0641","0.0654","","","","","","1.09","","","","has coordinates","228943","2020-10-21","18:00:00",""
"7231155","7.6514","0.0004","10.1654","0.0005","10.7076","0.0005","87.165","0.002","89.37","0.002","82.714","0.002","825.09","0.07","320","2","320","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","1","0.5","","Shrivastava, Ashutosh; Negi, Lalita; Das, Dinabandhu","Area negative thermal expansion in a mixed metal mixed organic MOF: “elevator-platform” mechanism induced by O‒H⋯O hydrogen bonding","CrystEngComm","2018","20","33","4719","","10.1039/C8CE00939B","","","0.71073","MoKα","","0.0287","0.0248","","","0.0667","0.07","","","","","","1.078","","","","has coordinates,has disorder","228943","2020-10-21","18:00:00",""
"7231156","7.5146","0.0003","10.1954","0.0005","10.7392","0.0005","87.694","0.002","88.929","0.002","83.133","0.002","816.13","0.06","160","2","160","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","1","0.5","","Shrivastava, Ashutosh; Negi, Lalita; Das, Dinabandhu","Area negative thermal expansion in a mixed metal mixed organic MOF: “elevator-platform” mechanism induced by O‒H⋯O hydrogen bonding","CrystEngComm","2018","20","33","4719","","10.1039/C8CE00939B","","","0.71073","MoKα","","0.0236","0.0222","","","0.0593","0.0602","","","","","","1.074","","","","has coordinates","228943","2020-10-21","18:00:00",""
"7231157","7.6329","0.0003","10.1735","0.0005","10.7153","0.0004","87.25","0.002","89.324","0.002","82.838","0.002","824.62","0.06","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","1","0.5","","Shrivastava, Ashutosh; Negi, Lalita; Das, Dinabandhu","Area negative thermal expansion in a mixed metal mixed organic MOF: “elevator-platform” mechanism induced by O‒H⋯O hydrogen bonding","CrystEngComm","2018","20","33","4719","","10.1039/C8CE00939B","","","0.71073","MoKα","","0.0271","0.0243","","","0.0665","0.0681","","","","","","1.129","","","","has coordinates,has disorder","228943","2020-10-21","18:00:00",""
"7231158","7.6121","0.0004","10.1784","0.0005","10.7213","0.0005","87.353","0.002","89.26","0.002","82.962","0.002","823.51","0.07","280","2","280","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","1","0.5","","Shrivastava, Ashutosh; Negi, Lalita; Das, Dinabandhu","Area negative thermal expansion in a mixed metal mixed organic MOF: “elevator-platform” mechanism induced by O‒H⋯O hydrogen bonding","CrystEngComm","2018","20","33","4719","","10.1039/C8CE00939B","","","0.71073","MoKα","","0.0259","0.0235","","","0.0649","0.0664","","","","","","1.089","","","","has coordinates,has disorder","228943","2020-10-21","18:00:00",""
"7231159","7.5387","0.0003","10.1927","0.0004","10.7387","0.0004","87.619","0.001","89.025","0.002","83.164","0.002","818.52","0.06","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","1","0.5","","Shrivastava, Ashutosh; Negi, Lalita; Das, Dinabandhu","Area negative thermal expansion in a mixed metal mixed organic MOF: “elevator-platform” mechanism induced by O‒H⋯O hydrogen bonding","CrystEngComm","2018","20","33","4719","","10.1039/C8CE00939B","","","0.71073","MoKα","","0.0244","0.0227","","","0.061","0.062","","","","","","1.09","","","","has coordinates","228943","2020-10-21","18:00:00",""
"7231160","7.5253","0.0003","10.195","0.0005","10.7396","0.0005","87.661","0.002","88.969","0.002","83.149","0.002","817.31","0.06","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","1","0.5","","Shrivastava, Ashutosh; Negi, Lalita; Das, Dinabandhu","Area negative thermal expansion in a mixed metal mixed organic MOF: “elevator-platform” mechanism induced by O‒H⋯O hydrogen bonding","CrystEngComm","2018","20","33","4719","","10.1039/C8CE00939B","","","0.71073","MoKα","","0.0241","0.0226","","","0.0606","0.0613","","","","","","1.07","","","","has coordinates","228943","2020-10-21","18:00:00",""
"7231161","7.5544","0.0004","10.1904","0.0005","10.7369","0.0005","87.569","0.002","89.073","0.002","83.151","0.002","819.86","0.07","220","2","220","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","1","0.5","","Shrivastava, Ashutosh; Negi, Lalita; Das, Dinabandhu","Area negative thermal expansion in a mixed metal mixed organic MOF: “elevator-platform” mechanism induced by O‒H⋯O hydrogen bonding","CrystEngComm","2018","20","33","4719","","10.1039/C8CE00939B","","","0.71073","MoKα","","0.025","0.0233","","","0.0629","0.0638","","","","","","1.086","","","","has coordinates","228943","2020-10-21","18:00:00",""
"7231174","11.31549","0.00016","9.66903","0.00015","9.86401","0.00015","90","","96.4687","0.0013","90","","1072.35","0.03","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3,6-bis(4-chlorophenyl)-2,5-dipropyl-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione","","- C24 H22 Cl2 N2 O2 -","- C24 H22 Cl2 N2 O2 -","- C48 H44 Cl4 N4 O4 -","2","0.5","","So, Hee-Soo; Minami, Takaya; Jindo, Takumi; Matsumoto, Shinya","Thermosalient effect of two polymorphs of a diketopyrrolopyrrole dye with different crystal systems and molecular arrangements","CrystEngComm","2018","20","36","5317","","10.1039/C8CE00940F","","","1.54187","CuKα","","0.0528","0.0497","","","0.1383","0.1424","","","","","","1.07","","","","has coordinates","229115","2020-10-21","18:00:00",""
"7231175","9.7334","0.0002","9.9244","0.0002","12.491","0.0003","89.585","0.002","69.561","0.002","67.774","0.002","1035.74","0.05","223","","223","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H22 Cl2 N2 O2 -","- C24 H22 Cl2 N2 O2 -","- C48 H44 Cl4 N4 O4 -","2","1","","So, Hee-Soo; Minami, Takaya; Jindo, Takumi; Matsumoto, Shinya","Thermosalient effect of two polymorphs of a diketopyrrolopyrrole dye with different crystal systems and molecular arrangements","CrystEngComm","2018","20","36","5317","","10.1039/C8CE00940F","","x-ray","1.54184","CuKα","","0.045","0.0417","","","0.1185","0.1215","","","","","","1.059","","","","has coordinates,has disorder","229115","2020-10-21","18:00:00",""
"7231176","10.986","0.0004","21.7326","0.0007","8.8856","0.0004","90","","108.941","0.004","90","","2006.6","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H34 N14 O4 Pb2 -","- C38 H34 N14 O4 Pb2 -","- C76 H68 N28 O8 Pb4 -","2","0.5","","Seth, Saikat Kumar; Bauzá, Antonio; Mahmoudi, Ghodrat; Stilinović, Vladimir; López-Torres, Elena; Zaragoza, Guillermo; Keramidas, Anastasios D.; Frontera, Antonio","On the importance of Pb⋯X (X = O, N, S, Br) tetrel bonding interactions in a series of tetra- and hexa-coordinated Pb(ii) compounds","CrystEngComm","2018","20","34","5033","","10.1039/C8CE00919H","","","1.5418","CuKα","","0.0854","0.0721","","","0.1757","0.1875","","","","","","0.999","","","","has coordinates","229140","2020-10-21","18:00:00",""
"7231177","9.2807","0.0013","10.2962","0.0015","10.9703","0.0013","103.736","0.002","105.229","0.003","102.2","0.002","939.7","0.2","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H15 Br N4 O2 Pb -","- C18 H15 Br N4 O2 Pb -","- C36 H30 Br2 N8 O4 Pb2 -","2","1","","Seth, Saikat Kumar; Bauzá, Antonio; Mahmoudi, Ghodrat; Stilinović, Vladimir; López-Torres, Elena; Zaragoza, Guillermo; Keramidas, Anastasios D.; Frontera, Antonio","On the importance of Pb⋯X (X = O, N, S, Br) tetrel bonding interactions in a series of tetra- and hexa-coordinated Pb(ii) compounds","CrystEngComm","2018","20","34","5033","","10.1039/C8CE00919H","","","0.71073","MoKα","","0.033","0.0294","","","0.067","0.0703","","","","","","1.145","","","","has coordinates","229140","2020-10-21","18:00:00",""
"7231178","9.7763","0.0006","11.3341","0.0007","15.058","0.001","105.607","0.007","91.747","0.006","101.222","0.006","1570.19","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H56 N16 O2 Pb2 S4 -","- C62 H48 N16 O2 Pb2 S4 -","- C62 H48 N16 O2 Pb2 S4 -","1","0.5","","Seth, Saikat Kumar; Bauzá, Antonio; Mahmoudi, Ghodrat; Stilinović, Vladimir; López-Torres, Elena; Zaragoza, Guillermo; Keramidas, Anastasios D.; Frontera, Antonio","On the importance of Pb⋯X (X = O, N, S, Br) tetrel bonding interactions in a series of tetra- and hexa-coordinated Pb(ii) compounds","CrystEngComm","2018","20","34","5033","","10.1039/C8CE00919H","","","0.71073","MoKα","","0.0577","0.0509","","","0.1336","0.1367","","","","","","1.003","","","","has coordinates,has disorder","229140","2020-10-21","18:00:00",""
"7231179","9.0368","0.0007","11.3777","0.001","7.6503","0.0006","90","","112.279","0.004","90","","727.87","0.1","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C10 H10 N6 Pb S3 -","- C10 H10 N6 Pb S3 -","- C20 H20 N12 Pb2 S6 -","2","1","","Seth, Saikat Kumar; Bauzá, Antonio; Mahmoudi, Ghodrat; Stilinović, Vladimir; López-Torres, Elena; Zaragoza, Guillermo; Keramidas, Anastasios D.; Frontera, Antonio","On the importance of Pb⋯X (X = O, N, S, Br) tetrel bonding interactions in a series of tetra- and hexa-coordinated Pb(ii) compounds","CrystEngComm","2018","20","34","5033","","10.1039/C8CE00919H","","x-ray","0.7107","MoKα","","0.0229","0.0217","","","0.0461","0.0467","","","","","","1.05","","","","has coordinates","229140","2020-10-21","18:00:00",""
"7231180","10.3837","0.0002","11.5738","0.0003","14.337","0.0003","95.216","0.001","90.12","0.001","113.736","0.001","1569.31","0.06","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H24 N8 O3 Pb S2 -","- C29 H24 N8 O3 Pb S2 -","- C58 H48 N16 O6 Pb2 S4 -","2","1","","Seth, Saikat Kumar; Bauzá, Antonio; Mahmoudi, Ghodrat; Stilinović, Vladimir; López-Torres, Elena; Zaragoza, Guillermo; Keramidas, Anastasios D.; Frontera, Antonio","On the importance of Pb⋯X (X = O, N, S, Br) tetrel bonding interactions in a series of tetra- and hexa-coordinated Pb(ii) compounds","CrystEngComm","2018","20","34","5033","","10.1039/C8CE00919H","","","0.71073","MoKα","","0.0569","0.0388","","","0.0823","0.09","","","","","","1.025","","","","has coordinates","229140","2020-10-21","18:00:00",""
"7231181","9.3083","0.0002","10.4819","0.0002","22.1487","0.0004","90","","96.098","0.002","90","","2148.79","0.07","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C19 H12 Co1.5 N3 O7 -","- C19 H12 Co1.5 N3 O7 -","- C76 H48 Co6 N12 O28 -","4","1","","Zhou, Wei; Wu, Ya-Pan; Wang, Xiao; Tian, Jun-Wu; Huang, Dan-Dan; Zhao, Jun; Lan, Ya-Qian; Li, Dong-Sheng","Improved conductivity of a new Co(ii)-MOF by assembled acetylene black for efficient hydrogen evolution reaction","CrystEngComm","2018","20","33","4804","","10.1039/C8CE00921J","","x-ray","1.54184","CuKα","","0.067","0.0612","","","0.162","0.1668","","","","","","1.057","","","","has coordinates","228949","2020-10-21","18:00:00",""
"7231182","26.906","0.004","7.5367","0.0009","17.21","0.002","90","","92.375","0.004","90","","3486.9","0.8","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H24 Cd N6 O12 -","- C38 H24 Cd N6 O12 -","- C152 H96 Cd4 N24 O48 -","4","0.5","","Fu, Chen; Wang, Hai-Yu; Zhang, Guo-Shuai; Li, Li; Sun, Ya-Nan; Fu, Jia-Wei; Zhang, Hong","The influence of the secondary building linker geometry on the photochromism of naphthalenediimide-based metal‒organic frameworks","CrystEngComm","2018","20","33","4849","","10.1039/C8CE00892B","","","0.71073","MoKα","","0.0742","0.044","","","0.0873","0.0975","","","","","","0.99","","","","has coordinates","228944","2020-10-21","18:00:00",""
"7231183","7.8706","0.001","10.2356","0.0013","19.467","0.003","90.351","0.002","94.25","0.002","111.416","0.002","1455","0.3","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H15 Cd N6 O10 -","- C31 H15 Cd N6 O10 -","- C62 H30 Cd2 N12 O20 -","2","1","","Fu, Chen; Wang, Hai-Yu; Zhang, Guo-Shuai; Li, Li; Sun, Ya-Nan; Fu, Jia-Wei; Zhang, Hong","The influence of the secondary building linker geometry on the photochromism of naphthalenediimide-based metal‒organic frameworks","CrystEngComm","2018","20","33","4849","","10.1039/C8CE00892B","","","0.71073","MoKα","","0.029","0.0263","","","0.0697","0.0709","","","","","","1.061","","","","has coordinates","228944","2020-10-21","18:00:00",""
"7231184","10.1261","0.0007","13.8772","0.0009","14.7762","0.001","88.202","0.001","72.861","0.001","71.667","0.001","1879.2","0.2","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C37 H24 Cd N7 O11 -","- C37 H24 Cd N7 O11 -","- C74 H48 Cd2 N14 O22 -","2","1","","Fu, Chen; Wang, Hai-Yu; Zhang, Guo-Shuai; Li, Li; Sun, Ya-Nan; Fu, Jia-Wei; Zhang, Hong","The influence of the secondary building linker geometry on the photochromism of naphthalenediimide-based metal‒organic frameworks","CrystEngComm","2018","20","33","4849","","10.1039/C8CE00892B","","","0.71073","MoKα","","0.0412","0.0362","","","0.1005","0.1031","","","","","","1.031","","","","has coordinates","228944","2020-10-21","18:00:00",""
"7231197","7.5242","0.0003","7.9258","0.0003","19.5829","0.0008","90","","90","","90","","1167.83","0.08","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H8 Cd2 N0 O12 -","- C8 H8 Cd2 O12 -","- C32 H32 Cd8 O48 -","4","1","","Zhang, Guangju; Xiu, Siqi; Wei, Ying; Zhang, Qingguo; Cai, Kedi","Design and synthesis of nanoporous carbon materials using Cd-based homochiral metal‒organic frameworks as precursors for supercapacitor application","CrystEngComm","2018","20","31","4364","","10.1039/C8CE01027G","","","0.71073","MoKα","","0.0332","0.0291","","","0.0682","0.0699","","","","","","1.054","","","","has coordinates","229089","2020-10-21","18:00:00",""
"7231198","7.5194","0.0003","7.9248","0.0003","19.5768","0.0008","90","","90","","90","","1166.58","0.08","293","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H8 Cd2 N0 O12 -","- C8 H8 Cd2 O12 -","- C32 H32 Cd8 O48 -","4","1","","Zhang, Guangju; Xiu, Siqi; Wei, Ying; Zhang, Qingguo; Cai, Kedi","Design and synthesis of nanoporous carbon materials using Cd-based homochiral metal‒organic frameworks as precursors for supercapacitor application","CrystEngComm","2018","20","31","4364","","10.1039/C8CE01027G","","","0.71073","MoKα","","0.0185","0.0169","","","0.0352","0.0356","","","","","","1.032","","","","has coordinates","229089","2020-10-21","18:00:00",""
"7231199","7.45","0.002","27.279","0.005","27.574","0.005","82.32","0.02","88.01","0.02","89.19","0.02","5550","2","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H29 N O11 P3 -","- C8 H29 N O11 P3 -","- C96 H348 N12 O132 P36 -","12","6","","Emami, Marzieh; Ślepokura, Katarzyna Anna; Trzebiatowska, Monika; Noshiranzadeh, Nader; Kinzhybalo, Vasyl","Oxyanion clusters with antielectrostatic hydrogen bonding (AEHB) in tetraalkylammonium hypodiphosphates","CrystEngComm","2018","20","35","5209","","10.1039/C8CE00880A","","","1.5418","CuKα","","0.0697","0.0562","","","0.1748","0.2005","","","","","","1.031","","","","has coordinates","229132","2020-10-21","18:00:00",""
"7231200","20.084","0.006","14.699","0.004","16.117","0.005","90","","108.06","0.03","90","","4524","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H40 N O7.5 P2.5 -","- C16 H40 N O7.5 P2.5 -","- C128 H320 N8 O60 P20 -","8","2","","Emami, Marzieh; Ślepokura, Katarzyna Anna; Trzebiatowska, Monika; Noshiranzadeh, Nader; Kinzhybalo, Vasyl","Oxyanion clusters with antielectrostatic hydrogen bonding (AEHB) in tetraalkylammonium hypodiphosphates","CrystEngComm","2018","20","35","5209","","10.1039/C8CE00880A","","","0.71073","MoKα","","0.0645","0.0421","","","0.0919","0.1018","","","","","","1.039","","","","has coordinates,has disorder","229132","2020-10-21","18:00:00",""
"7231201","14.764","0.003","17.203","0.004","19.266","0.005","73.32","0.03","88.05","0.02","89.94","0.02","4684","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H41.05 N O8.02 P2.5 -","- C16 H41 N O8.029 P2.5 -","- C128 H328 N8 O64.232 P20 -","8","4","","Emami, Marzieh; Ślepokura, Katarzyna Anna; Trzebiatowska, Monika; Noshiranzadeh, Nader; Kinzhybalo, Vasyl","Oxyanion clusters with antielectrostatic hydrogen bonding (AEHB) in tetraalkylammonium hypodiphosphates","CrystEngComm","2018","20","35","5209","","10.1039/C8CE00880A","","","0.71073","MoKα","","0.0889","0.0547","","","0.1148","0.1299","","","","","","1.017","","","","has coordinates,has disorder","229132","2020-10-21","18:00:00",""
"7231202","7.582","0.003","8.718","0.003","12.892","0.004","75.28","0.03","80.42","0.03","70.98","0.03","775.9","0.5","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H28 Cl N O6 P -","- C8 H28 Cl N O6 P -","- C16 H56 Cl2 N2 O12 P2 -","2","1","","Emami, Marzieh; Ślepokura, Katarzyna Anna; Trzebiatowska, Monika; Noshiranzadeh, Nader; Kinzhybalo, Vasyl","Oxyanion clusters with antielectrostatic hydrogen bonding (AEHB) in tetraalkylammonium hypodiphosphates","CrystEngComm","2018","20","35","5209","","10.1039/C8CE00880A","","","1.5418","CuKα","","0.0597","0.0524","","","0.1428","0.1498","","","","","","1.069","","","","has coordinates","229132","2020-10-21","18:00:00",""
"7231203","8.898","0.002","8.964","0.002","9.226","0.003","78.96","0.02","66.16","0.03","79.15","0.02","655.6","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H46 N2 O12 P4 -","- C16 H46 N2 O12 P4 -","- C16 H46 N2 O12 P4 -","1","0.5","","Emami, Marzieh; Ślepokura, Katarzyna Anna; Trzebiatowska, Monika; Noshiranzadeh, Nader; Kinzhybalo, Vasyl","Oxyanion clusters with antielectrostatic hydrogen bonding (AEHB) in tetraalkylammonium hypodiphosphates","CrystEngComm","2018","20","35","5209","","10.1039/C8CE00880A","","","0.71073","MoKα","","0.0557","0.0492","","","0.1325","0.1398","","","","","","1.065","","","","has coordinates","229132","2020-10-21","18:00:00",""
"7231204","10.781","0.002","15.964","0.003","31.201","0.006","90","","99.6","0.02","90","","5294.7","1.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H42 N O10.5 P3.5 -","- C16 H42 N O10.5 P3.5 -","- C128 H336 N8 O84 P28 -","8","2","","Emami, Marzieh; Ślepokura, Katarzyna Anna; Trzebiatowska, Monika; Noshiranzadeh, Nader; Kinzhybalo, Vasyl","Oxyanion clusters with antielectrostatic hydrogen bonding (AEHB) in tetraalkylammonium hypodiphosphates","CrystEngComm","2018","20","35","5209","","10.1039/C8CE00880A","","","0.71073","MoKα","","0.0992","0.0597","","","0.131","0.1504","","","","","","1.006","","","","has coordinates,has disorder","229132","2020-10-21","18:00:00",""
"7231205","7.43953","0.00014","20.7625","0.0004","8.8754","0.00015","90","","102.766","0.0018","90","","1337.03","0.04","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 N O3 -","- C17 H14 N O3 -","- C68 H56 N4 O12 -","4","1","","Kunicki, Hannah; Chamberlain, Thomas W.; Clarkson, Guy J.; Kashtiban, Reza J.; Hooper, Joseph E.; Dawson, Daniel M.; Ashbrook, Sharon E.; Walton, Richard I.","An expanded MIL-53-type coordination polymer with a reactive pendant ligand","CrystEngComm","2018","20","31","4355","","10.1039/C8CE00891D","","x-ray","1.54184","CuKα","","0.0477","0.0423","","","0.1195","0.1252","","","","","","1.072","","","","has coordinates","229084","2020-10-21","18:00:00",""
"7231206","25.1697","0.0004","7.1655","0.0001","16.6823","0.0002","90","","90","","90","","3008.71","0.07","296","1","296","1","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C27 H19 Co N O5.5 -","- C27 H19 Co N O5.5 -","- C108 H76 Co4 N4 O22 -","4","0.25","","Kunicki, Hannah; Chamberlain, Thomas W.; Clarkson, Guy J.; Kashtiban, Reza J.; Hooper, Joseph E.; Dawson, Daniel M.; Ashbrook, Sharon E.; Walton, Richard I.","An expanded MIL-53-type coordination polymer with a reactive pendant ligand","CrystEngComm","2018","20","31","4355","","10.1039/C8CE00891D","","x-ray","1.54184","CuKα","","0.0591","0.0535","","","0.1631","0.1712","","","","","","1.07","","","","has coordinates,has disorder","229084","2020-10-21","18:00:00",""
"7231207","16.59874","0.00019","7.14697","0.00012","50.2201","0.0008","90","","90","","90","","5957.65","0.15","100","2","100","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C54 H38 Mg2 N2 O10 -","- C54 H38 Mg2 N2 O10 -","- C216 H152 Mg8 N8 O40 -","4","0.5","","Kunicki, Hannah; Chamberlain, Thomas W.; Clarkson, Guy J.; Kashtiban, Reza J.; Hooper, Joseph E.; Dawson, Daniel M.; Ashbrook, Sharon E.; Walton, Richard I.","An expanded MIL-53-type coordination polymer with a reactive pendant ligand","CrystEngComm","2018","20","31","4355","","10.1039/C8CE00891D","","x-ray","1.54184","CuKα","","0.0819","0.0772","","","0.2424","0.2474","","","","","","1.064","","","","has coordinates,has disorder","229084","2020-10-21","18:00:00",""
"7231210","10.8799","0.0006","13.3677","0.0007","13.9345","0.0008","62.953","0.003","68.018","0.003","82.371","0.003","1672.04","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","pyrazole","'ethyl 5-(4-bromophenyl)-1-(tert-butyl)-1H-pyrazole-3-carboxylate'","","- C32 H38 Br2 N4 O4 -","- C32 H38 Br2 N4 O4 -","- C64 H76 Br4 N8 O8 -","2","1","","Zimmer, Geórgia C.; Pagliari, Anderson B.; Bender, Caroline R.; Salbego, Paulo R. S.; Orlando, Tainára; Hörner, Manfredo; Zanatta, Nilo; Bonacorso, Helio G.; Martins, Marcos A. P.","Insights on conformation in the solid state: a case study ‒ s-cis and/or s-trans crystallization of 5(3)-aryl-3(5)-carboxyethyl-1-tert-butylpyrazoles","CrystEngComm","2018","20","35","5154","","10.1039/C8CE00984H","","","0.71073","MoKα","","0.124","0.0553","","","0.1291","0.1531","","","","","","1.034","","","","has coordinates","229130","2020-10-21","18:00:00",""
"7231211","26.04","0.003","9.0972","0.0011","13.8867","0.0019","90","","91.957","0.01","90","","3287.7","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","pyrazole-Br","'ethyl 1 tert-butyl-3-(4-bromophenyl)-1H-pyrazole-5-carboxylate'","","- C16 H19 Br N2 O2 -","- C16 H19 Br N2 O2 -","- C128 H152 Br8 N16 O16 -","8","1","","Zimmer, Geórgia C.; Pagliari, Anderson B.; Bender, Caroline R.; Salbego, Paulo R. S.; Orlando, Tainára; Hörner, Manfredo; Zanatta, Nilo; Bonacorso, Helio G.; Martins, Marcos A. P.","Insights on conformation in the solid state: a case study ‒ s-cis and/or s-trans crystallization of 5(3)-aryl-3(5)-carboxyethyl-1-tert-butylpyrazoles","CrystEngComm","2018","20","35","5154","","10.1039/C8CE00984H","","","1.54178","CuKα","","0.0335","0.0319","","","0.0843","0.0855","","","","","","1.035","","","","has coordinates","229130","2020-10-21","18:00:00",""
"7231212","9.077","0.002","6.9098","0.0015","13.708","0.002","90","","107.735","0.007","90","","818.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","1,5-pirazole-Cl","'ethyl 1-(tert-butyl)-3-(4-chlorophenyl)-1H-pyrazole-5-carboxylate'","","- C16 H19 Cl N2 O2 -","- C16 H19 Cl N2 O2 -","- C32 H38 Cl2 N4 O4 -","2","0.5","","Zimmer, Geórgia C.; Pagliari, Anderson B.; Bender, Caroline R.; Salbego, Paulo R. S.; Orlando, Tainára; Hörner, Manfredo; Zanatta, Nilo; Bonacorso, Helio G.; Martins, Marcos A. P.","Insights on conformation in the solid state: a case study ‒ s-cis and/or s-trans crystallization of 5(3)-aryl-3(5)-carboxyethyl-1-tert-butylpyrazoles","CrystEngComm","2018","20","35","5154","","10.1039/C8CE00984H","","","0.71073","MoKα","","0.0681","0.0443","","","0.1127","0.1257","","","","","","1.035","","","","has coordinates","229130","2020-10-21","18:00:00",""
"7231213","8.0704","0.0009","10.6122","0.0013","17.698","0.004","90","","93.13","0.011","90","","1513.5","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1,3-Ph-pyrazole","'ethyl-5-(phenyl)-1-(t-butyl)-1H-pyrazole-3-carboxylate'","","- C16 H20 N2 O2 -","- C16 H20 N2 O2 -","- C64 H80 N8 O8 -","4","1","","Zimmer, Geórgia C.; Pagliari, Anderson B.; Bender, Caroline R.; Salbego, Paulo R. S.; Orlando, Tainára; Hörner, Manfredo; Zanatta, Nilo; Bonacorso, Helio G.; Martins, Marcos A. P.","Insights on conformation in the solid state: a case study ‒ s-cis and/or s-trans crystallization of 5(3)-aryl-3(5)-carboxyethyl-1-tert-butylpyrazoles","CrystEngComm","2018","20","35","5154","","10.1039/C8CE00984H","","x-ray","1.54178","CuKα","","0.077","0.0725","","","0.1928","0.1967","","","","","","1.052","","","","has coordinates","229130","2020-10-21","18:00:00",""
"7231214","6.9381","0.0007","18.463","0.003","12.6","0.002","90","","103.702","0.01","90","","1568.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","pyrazole 1,3 F","'ethyl 1-(t-butil)-5-(4-fluorophenyl)-1H-pyrazole-3-carboxylate'","","- C16 H19 F N2 O2 -","- C16 H19 F N2 O2 -","- C64 H76 F4 N8 O8 -","4","1","","Zimmer, Geórgia C.; Pagliari, Anderson B.; Bender, Caroline R.; Salbego, Paulo R. S.; Orlando, Tainára; Hörner, Manfredo; Zanatta, Nilo; Bonacorso, Helio G.; Martins, Marcos A. P.","Insights on conformation in the solid state: a case study ‒ s-cis and/or s-trans crystallization of 5(3)-aryl-3(5)-carboxyethyl-1-tert-butylpyrazoles","CrystEngComm","2018","20","35","5154","","10.1039/C8CE00984H","","","1.54178","CuKα","","0.0516","0.0438","","","0.1194","0.1264","","","","","","1.03","","","","has coordinates","229130","2020-10-21","18:00:00",""
"7231215","8.5662","0.0003","8.9965","0.0003","10.0893","0.0004","92.86","0.002","100.776","0.002","91.266","0.002","762.49","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","pyrazole","'ethyl 1 tert-butyl-3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate'","","- C16 H19 F N2 O2 -","- C16 H19 F N2 O2 -","- C32 H38 F2 N4 O4 -","2","1","","Zimmer, Geórgia C.; Pagliari, Anderson B.; Bender, Caroline R.; Salbego, Paulo R. S.; Orlando, Tainára; Hörner, Manfredo; Zanatta, Nilo; Bonacorso, Helio G.; Martins, Marcos A. P.","Insights on conformation in the solid state: a case study ‒ s-cis and/or s-trans crystallization of 5(3)-aryl-3(5)-carboxyethyl-1-tert-butylpyrazoles","CrystEngComm","2018","20","35","5154","","10.1039/C8CE00984H","","","0.71073","MoKα","","0.0474","0.0394","","","0.126","0.143","","","","","","0.636","","","","has coordinates","229130","2020-10-21","18:00:00",""
"7231216","10.9637","0.0005","13.2546","0.0006","13.9344","0.0006","62.661","0.002","67.366","0.002","81.873","0.003","1658.68","0.13","293","2","293","2","","","","","","","synthesis as described","5","P -1","-P 1","2","pyrazole","'ethyl 5-(4-clorophenyl)-1-(tert-butyl)-1H-pyrazole-3-carboxylate'","","- C16 H19 Cl N2 O2 -","- C16 H19 Cl N2 O2 -","- C64 H76 Cl4 N8 O8 -","4","2","","Zimmer, Geórgia C.; Pagliari, Anderson B.; Bender, Caroline R.; Salbego, Paulo R. S.; Orlando, Tainára; Hörner, Manfredo; Zanatta, Nilo; Bonacorso, Helio G.; Martins, Marcos A. P.","Insights on conformation in the solid state: a case study ‒ s-cis and/or s-trans crystallization of 5(3)-aryl-3(5)-carboxyethyl-1-tert-butylpyrazoles","CrystEngComm","2018","20","35","5154","","10.1039/C8CE00984H","","x-ray","0.71073","MoKα","","0.1641","0.0707","","","0.1897","0.2439","","","","","","1.03","","","","has coordinates","229130","2020-10-21","18:00:00",""
"7231217","8.9","0.005","8.307","0.004","19.352","0.011","90","","91.44","0.02","90","","1430.3","1.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","pirazol-1,5-Ph","'ethyl 3-(phenyl)-1-(t-butyl)1H-pyrazole-5-carboxylate'","","- C16 H20 N2 O2 -","- C16 H20 N2 O2 -","- C64 H80 N8 O8 -","4","1","","Zimmer, Geórgia C.; Pagliari, Anderson B.; Bender, Caroline R.; Salbego, Paulo R. S.; Orlando, Tainára; Hörner, Manfredo; Zanatta, Nilo; Bonacorso, Helio G.; Martins, Marcos A. P.","Insights on conformation in the solid state: a case study ‒ s-cis and/or s-trans crystallization of 5(3)-aryl-3(5)-carboxyethyl-1-tert-butylpyrazoles","CrystEngComm","2018","20","35","5154","","10.1039/C8CE00984H","","","0.71073","MoKα","","0.0557","0.0417","","","0.0993","0.1061","","","","","","1.04","","","","has coordinates","229130","2020-10-21","18:00:00",""
"7231226","23.9553","0.0012","13.6376","0.0007","18.6167","0.001","90","","111.831","0.002","90","","5645.8","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H40 La2 N4 O15 -","- C66 H40 La2 N4 O15 -","- C264 H160 La8 N16 O60 -","4","1","","Li, Jing-Ming; Li, Rui; Li, Xia","Construction of metal‒organic frameworks (MOFs) and highly luminescent Eu(iii)-MOF for the detection of inorganic ions and antibiotics in aqueous medium","CrystEngComm","2018","20","34","4962","","10.1039/C8CE00915E","","","0.71073","MoKα","","0.0721","0.0385","","","0.0671","0.0794","","","","","","1.059","","","","has coordinates","229141","2020-10-21","18:00:00",""
"7231227","13.0373","0.0012","22.5614","0.0019","19.432","0.0017","90","","90.949","0.001","90","","5714.9","0.9","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H40 Eu2 N4 O15 -","- C66 H40 Eu2 N4 O15 -","- C264 H160 Eu8 N16 O60 -","4","1","","Li, Jing-Ming; Li, Rui; Li, Xia","Construction of metal‒organic frameworks (MOFs) and highly luminescent Eu(iii)-MOF for the detection of inorganic ions and antibiotics in aqueous medium","CrystEngComm","2018","20","34","4962","","10.1039/C8CE00915E","","","0.71073","MoKα","","0.0833","0.0409","","","0.0543","0.0613","","","","","","0.869","","","","has coordinates","229141","2020-10-21","18:00:00",""
"7231228","13.0186","0.0011","22.5402","0.0018","19.4272","0.0016","90","","90.845","0.003","90","","5700.1","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H40 N4 O15 Tb2 -","- C66 H40 N4 O15 Tb2 -","- C264 H160 N16 O60 Tb8 -","4","1","","Li, Jing-Ming; Li, Rui; Li, Xia","Construction of metal‒organic frameworks (MOFs) and highly luminescent Eu(iii)-MOF for the detection of inorganic ions and antibiotics in aqueous medium","CrystEngComm","2018","20","34","4962","","10.1039/C8CE00915E","","","0.71073","MoKα","","0.0703","0.0379","","","0.0722","0.0875","","","","","","1.04","","","","has coordinates","229141","2020-10-21","18:00:00",""
"7231229","13.0264","0.0006","22.5481","0.0009","19.4308","0.0008","90","","90.919","0.002","90","","5706.5","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H40 Gd2 N4 O15 -","- C66 H40 Gd2 N4 O15 -","- C264 H160 Gd8 N16 O60 -","4","1","","Li, Jing-Ming; Li, Rui; Li, Xia","Construction of metal‒organic frameworks (MOFs) and highly luminescent Eu(iii)-MOF for the detection of inorganic ions and antibiotics in aqueous medium","CrystEngComm","2018","20","34","4962","","10.1039/C8CE00915E","","","0.71073","MoKα","","0.0666","0.0379","","","0.0795","0.0945","","","","","","1.02","","","","has coordinates","229141","2020-10-21","18:00:00",""
"7231232","7.8831","0.0004","14.6869","0.0008","14.5239","0.0008","102.504","0.002","100.89","0.002","92.406","0.002","1606.07","0.15","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H26 Cl4 Co N4 O4 -","- C36 H26 Cl4 Co N4 O4 -","- C72 H52 Cl8 Co2 N8 O8 -","2","1","","Beebeejaun-Boodoo, B. M. P.; Erasmus, R.; Rademeyer, M.","Tetrahalometallate salts of N-(4-picolinium)-1,8-naphthalimide: structures and solid-state fluorescence","CrystEngComm","2018","20","33","4875","","10.1039/C8CE00292D","","","0.71073","MoKα","","0.0559","0.0397","","","0.0945","0.1036","","","","","","1.034","","","","has coordinates","228945","2020-10-21","18:00:00",""
"7231233","7.3112","0.0007","7.7033","0.0007","13.0401","0.0012","79.183","0.003","86.649","0.003","88.692","0.003","720.09","0.12","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H13 Cl N2 O2 -","- C18 H13 Cl N2 O2 -","- C36 H26 Cl2 N4 O4 -","2","1","","Beebeejaun-Boodoo, B. M. P.; Erasmus, R.; Rademeyer, M.","Tetrahalometallate salts of N-(4-picolinium)-1,8-naphthalimide: structures and solid-state fluorescence","CrystEngComm","2018","20","33","4875","","10.1039/C8CE00292D","","","0.71073","MoKα","","0.0478","0.0338","","","0.0795","0.085","","","","","","1.069","","","","has coordinates","228945","2020-10-21","18:00:00",""
"7231234","7.8598","0.0004","14.7496","0.0009","14.7874","0.0008","102.704","0.002","101.054","0.002","93.104","0.002","1632.97","0.16","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H26 Cl4 Hg N4 O4 -","- C36 H26 Cl4 Hg N4 O4 -","- C72 H52 Cl8 Hg2 N8 O8 -","2","1","","Beebeejaun-Boodoo, B. M. P.; Erasmus, R.; Rademeyer, M.","Tetrahalometallate salts of N-(4-picolinium)-1,8-naphthalimide: structures and solid-state fluorescence","CrystEngComm","2018","20","33","4875","","10.1039/C8CE00292D","","","0.71073","MoKα","","0.0553","0.0485","","","0.101","0.1047","","","","","","1.047","","","","has coordinates","228945","2020-10-21","18:00:00",""
"7231235","7.9049","0.001","14.7046","0.0018","14.5448","0.0019","102.479","0.006","100.932","0.006","92.276","0.006","1615","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H26 Cl4 N4 O4 Zn -","- C36 H26 Cl4 N4 O4 Zn -","- C72 H52 Cl8 N8 O8 Zn2 -","2","1","","Beebeejaun-Boodoo, B. M. P.; Erasmus, R.; Rademeyer, M.","Tetrahalometallate salts of N-(4-picolinium)-1,8-naphthalimide: structures and solid-state fluorescence","CrystEngComm","2018","20","33","4875","","10.1039/C8CE00292D","","","0.71073","MoKα","","0.09","0.0717","","","0.1704","0.1786","","","","","","1.101","","","","has coordinates","228945","2020-10-21","18:00:00",""
"7231236","7.933","0.002","14.728","0.004","14.966","0.005","102.65","0.01","100.863","0.009","93.145","0.009","1667.1","0.8","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H26 Br4 Co N4 O4 -","- C36 H26 Br4 Co N4 O4 -","- C72 H52 Br8 Co2 N8 O8 -","2","1","","Beebeejaun-Boodoo, B. M. P.; Erasmus, R.; Rademeyer, M.","Tetrahalometallate salts of N-(4-picolinium)-1,8-naphthalimide: structures and solid-state fluorescence","CrystEngComm","2018","20","33","4875","","10.1039/C8CE00292D","","","0.71073","MoKα","","0.082","0.0458","","","0.1176","0.1303","","","","","","1.029","","","","has coordinates","228945","2020-10-21","18:00:00",""
"7231237","7.766","0.0006","55.312","0.004","7.4689","0.0005","90","","91.983","0.002","90","","3206.4","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 Cl4 Cu N4 O4 -","- C36 H26 Cl4 Cu N4 O4 -","- C144 H104 Cl16 Cu4 N16 O16 -","4","1","","Beebeejaun-Boodoo, B. M. P.; Erasmus, R.; Rademeyer, M.","Tetrahalometallate salts of N-(4-picolinium)-1,8-naphthalimide: structures and solid-state fluorescence","CrystEngComm","2018","20","33","4875","","10.1039/C8CE00292D","","","0.71073","MoKα","","0.0919","0.0696","","","0.121","0.1264","","","","","","1.263","","","","has coordinates","228945","2020-10-21","18:00:00",""
"7231238","13.5398","0.0016","7.7569","0.0009","15.201","0.0017","90","","112.641","0.003","90","","1473.5","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 Br N2 O2 -","- C18 H13 Br N2 O2 -","- C72 H52 Br4 N8 O8 -","4","1","","Beebeejaun-Boodoo, B. M. P.; Erasmus, R.; Rademeyer, M.","Tetrahalometallate salts of N-(4-picolinium)-1,8-naphthalimide: structures and solid-state fluorescence","CrystEngComm","2018","20","33","4875","","10.1039/C8CE00292D","","","0.71073","MoKα","","0.0233","0.0208","","","0.0542","0.0554","","","","","","1.043","","","","has coordinates","228945","2020-10-21","18:00:00",""
"7231239","7.8678","0.0007","14.7568","0.0013","14.8082","0.0013","102.75","0.004","100.866","0.004","93.071","0.004","1638.7","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H26 Cd Cl4 N4 O4 -","- C36 H26 Cd Cl4 N4 O4 -","- C72 H52 Cd2 Cl8 N8 O8 -","2","1","","Beebeejaun-Boodoo, B. M. P.; Erasmus, R.; Rademeyer, M.","Tetrahalometallate salts of N-(4-picolinium)-1,8-naphthalimide: structures and solid-state fluorescence","CrystEngComm","2018","20","33","4875","","10.1039/C8CE00292D","","","0.71073","MoKα","","0.062","0.0363","","","0.0692","0.0767","","","","","","1.025","","","","has coordinates","228945","2020-10-21","18:00:00",""
"7231240","7.67","0.0004","7.6942","0.0005","28.269","0.0019","87.564","0.003","89.895","0.002","89.559","0.002","1666.72","0.18","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H26 Br4 Cu N4 O4 -","- C36 H26 Br4 Cu N4 O4 -","- C72 H52 Br8 Cu2 N8 O8 -","2","1","","Beebeejaun-Boodoo, B. M. P.; Erasmus, R.; Rademeyer, M.","Tetrahalometallate salts of N-(4-picolinium)-1,8-naphthalimide: structures and solid-state fluorescence","CrystEngComm","2018","20","33","4875","","10.1039/C8CE00292D","","","0.71073","MoKα","","0.0717","0.055","","","0.131","0.1372","","","","","","1.06","","","","has coordinates","228945","2020-10-21","18:00:00",""
"7231241","7.9152","0.0003","14.7377","0.0006","14.9796","0.0006","102.541","0.001","100.913","0.001","93.439","0.001","1665.52","0.11","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H26 Br4 N4 O4 Zn -","- C36 H26 Br4 N4 O4 Zn -","- C72 H52 Br8 N8 O8 Zn2 -","2","1","","Beebeejaun-Boodoo, B. M. P.; Erasmus, R.; Rademeyer, M.","Tetrahalometallate salts of N-(4-picolinium)-1,8-naphthalimide: structures and solid-state fluorescence","CrystEngComm","2018","20","33","4875","","10.1039/C8CE00292D","","","0.71073","MoKα","","0.0364","0.0299","","","0.0776","0.0814","","","","","","1.062","","","","has coordinates","228945","2020-10-21","18:00:00",""
"7231245","12.509","0.003","13.689","0.003","14.613","0.003","94.72","0.03","115.28","0.03","114.86","0.03","1945.6","1.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H37.5 Cl4 Cu2 N6 O6.75 -","- C36 H37.5 Cl4 Cu2 N6 O6.75 -","- C72 H75 Cl8 Cu4 N12 O13.5 -","2","1","","Kwon, Hyunchul; Lee, Eunsung","Coordination preference of hexa(2-pyridyl)benzene with copper(ii) directed by hydrogen bonding","CrystEngComm","2018","20","35","5233","","10.1039/C8CE00918J","","","0.63","synchrotron","","0.1008","0.0644","","","0.17","0.191","","","","","","1.178","","","","has coordinates,has disorder","229122","2020-10-21","18:00:00",""
"7231246","9.263","0.003","11.838","0.004","17.404","0.006","85.27","0.012","89.651","0.012","86.12","0.012","1897.6","1.1","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H32 Cl4 Cu2 N6 O2 -","- C38 H32 Cl4 Cu2 N6 O2 -","- C76 H64 Cl8 Cu4 N12 O4 -","2","1","","Kwon, Hyunchul; Lee, Eunsung","Coordination preference of hexa(2-pyridyl)benzene with copper(ii) directed by hydrogen bonding","CrystEngComm","2018","20","35","5233","","10.1039/C8CE00918J","","","0.71073","MoKα","","0.0955","0.0726","","","0.1798","0.1939","","","","","","1.214","","","","has coordinates","229122","2020-10-21","18:00:00",""
"7231247","9.081","0.005","10.926","0.006","12.055","0.007","113.957","0.018","111.576","0.017","91.514","0.016","994.5","1","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H39 Cl4 Cu2 N6 O7.5 -","- C36 H39 Cl4 Cu2 N6 O7.5 -","- C36 H39 Cl4 Cu2 N6 O7.5 -","1","0.5","","Kwon, Hyunchul; Lee, Eunsung","Coordination preference of hexa(2-pyridyl)benzene with copper(ii) directed by hydrogen bonding","CrystEngComm","2018","20","35","5233","","10.1039/C8CE00918J","","","0.71073","MoKα","","0.0755","0.058","","","0.1398","0.1506","","","","","","1.048","","","","has coordinates,has disorder","229122","2020-10-21","18:00:00",""
"7231248","8.9606","0.0005","20.9052","0.0013","20.0946","0.001","90","","91.24","0.002","90","","3763.3","0.4","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19.5 H15.5 Cl2 Cu N3.5 O0.5 -","- C19.5 H15.5 Cl2 Cu N3.5 O0.5 -","- C156 H124 Cl16 Cu8 N28 O4 -","8","1","","Kwon, Hyunchul; Lee, Eunsung","Coordination preference of hexa(2-pyridyl)benzene with copper(ii) directed by hydrogen bonding","CrystEngComm","2018","20","35","5233","","10.1039/C8CE00918J","","","0.71073","MoKα","","0.056","0.0372","","","0.0659","0.0722","","","","","","1.07","","","","has coordinates","229122","2020-10-21","18:00:00",""
"7231249","10.2461","0.0001","14.3724","0.0002","29.2362","0.0004","81.57","0.002","88.939","0.001","82.321","0.003","4220.64","0.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C160 H108 N18 O44 Pr2 S14 U6 -","- C160 H108 N18 O44 Pr2 S14 U6 -","- C160 H108 N18 O44 Pr2 S14 U6 -","1","0.5","","Ridenour, J. August; Cahill, Christopher L.","Nine isomorphous lanthanide‒uranyl f‒f bimetallic materials with 2-thiophenecarboxylic acid and terpyridine: structure and concomitant luminescent properties","CrystEngComm","2018","20","34","4997","","10.1039/C8CE00811F","","x-ray","0.71073","MoKα","","0.0529","0.0307","","","0.0558","0.0621","","","","","","1.004","","","","has coordinates,has disorder","229139","2020-10-21","18:00:00",""
"7231250","10.2483","0.0007","14.4377","0.0009","29.0278","0.0019","81.977","0.002","89.188","0.001","82.246","0.002","4214","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C160 H108 Ho2 N18 O44 S14 U6 -","- C160 H108 Ho2 N18 O44 S14 U6 -","- C160 H108 Ho2 N18 O44 S14 U6 -","1","0.5","","Ridenour, J. August; Cahill, Christopher L.","Nine isomorphous lanthanide‒uranyl f‒f bimetallic materials with 2-thiophenecarboxylic acid and terpyridine: structure and concomitant luminescent properties","CrystEngComm","2018","20","34","4997","","10.1039/C8CE00811F","","x-ray","0.71073","MoKα","","0.0521","0.0322","","","0.0575","0.0627","","","","","","1.039","","","","has coordinates,has disorder","229139","2020-10-21","18:00:00",""
"7231251","10.234","0.0009","14.4042","0.0018","29.053","0.003","81.864","0.002","89.103","0.001","82.241","0.001","4200.8","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C160 H108 N18 O44 S14 Tb2 U6 -","- C160 H108 N18 O44 S14 Tb2 U6 -","- C160 H108 N18 O44 S14 Tb2 U6 -","1","0.5","","Ridenour, J. August; Cahill, Christopher L.","Nine isomorphous lanthanide‒uranyl f‒f bimetallic materials with 2-thiophenecarboxylic acid and terpyridine: structure and concomitant luminescent properties","CrystEngComm","2018","20","34","4997","","10.1039/C8CE00811F","","x-ray","0.71073","MoKα","","0.0489","0.0299","","","0.0603","0.0665","","","","","","1.025","","","","has coordinates,has disorder","229139","2020-10-21","18:00:00",""
"7231252","10.668","0.002","20.152","0.004","23.297","0.005","109.308","0.003","101.972","0.003","93.617","0.003","4576.6","1.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C85 H65 N13 O28 S5 U5 -","- C85 H65 N13 O28 S5 U5 -","- C170 H130 N26 O56 S10 U10 -","2","1","","Ridenour, J. August; Cahill, Christopher L.","Nine isomorphous lanthanide‒uranyl f‒f bimetallic materials with 2-thiophenecarboxylic acid and terpyridine: structure and concomitant luminescent properties","CrystEngComm","2018","20","34","4997","","10.1039/C8CE00811F","","x-ray","0.71073","MoKα","","0.1064","0.0824","","","0.1996","0.2082","","","","","","1.213","","","","has coordinates,has disorder","229139","2020-10-21","18:00:00",""
"7231253","10.2255","0.0003","14.405","0.0003","29.0078","0.0007","81.949","0.001","89.133","0.003","82.242","0.002","4191.93","0.18","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C160 H108 Gd2 N18 O44 S14 U6 -","- C160 H108 Gd2 N18 O44 S14 U6 -","- C160 H108 Gd2 N18 O44 S14 U6 -","1","0.5","","Ridenour, J. August; Cahill, Christopher L.","Nine isomorphous lanthanide‒uranyl f‒f bimetallic materials with 2-thiophenecarboxylic acid and terpyridine: structure and concomitant luminescent properties","CrystEngComm","2018","20","34","4997","","10.1039/C8CE00811F","","x-ray","0.71073","MoKα","","0.0557","0.0313","","","0.0595","0.0664","","","","","","1.02","","","","has coordinates,has disorder","229139","2020-10-21","18:00:00",""
"7231254","10.2491","0.0003","14.3958","0.0005","29.1628","0.001","81.715","0.001","89.029","0.002","82.284","0.001","4219.3","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C160 H108 N18 O44 S14 Sm2 U6 -","- C160 H108 N18 O44 S14 Sm2 U6 -","- C160 H108 N18 O44 S14 Sm2 U6 -","1","0.5","","Ridenour, J. August; Cahill, Christopher L.","Nine isomorphous lanthanide‒uranyl f‒f bimetallic materials with 2-thiophenecarboxylic acid and terpyridine: structure and concomitant luminescent properties","CrystEngComm","2018","20","34","4997","","10.1039/C8CE00811F","","x-ray","0.71073","MoKα","","0.0632","0.0341","","","0.063","0.0717","","","","","","0.998","","","","has coordinates,has disorder","229139","2020-10-21","18:00:00",""
"7231255","10.2216","0.0008","14.4037","0.0011","29.008","0.002","81.961","0.002","89.146","0.001","82.246","0.001","4190.1","0.5","293","2","293","3","","","","","","","","7","P -1","-P 1","2","","","","- C160 H108 Dy2 N18 O44 S14 U6 -","- C160 H108 Dy2 N18 O44 S14 U6 -","- C160 H108 Dy2 N18 O44 S14 U6 -","1","0.5","","Ridenour, J. August; Cahill, Christopher L.","Nine isomorphous lanthanide‒uranyl f‒f bimetallic materials with 2-thiophenecarboxylic acid and terpyridine: structure and concomitant luminescent properties","CrystEngComm","2018","20","34","4997","","10.1039/C8CE00811F","","x-ray","0.71073","MoKα","","0.0522","0.0317","","","0.0651","0.0714","","","","","","1.017","","","","has coordinates,has disorder","229139","2020-10-21","18:00:00",""
"7231256","10.407","0.008","14.594","0.011","29.68","0.02","81.683","0.012","88.909","0.014","82.39","0.011","4421","6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C160 H108 N18 Nd2 O44 S14 U6 -","- C160 H108 N18 Nd2 O44 S14 U6 -","- C160 H108 N18 Nd2 O44 S14 U6 -","1","0.5","","Ridenour, J. August; Cahill, Christopher L.","Nine isomorphous lanthanide‒uranyl f‒f bimetallic materials with 2-thiophenecarboxylic acid and terpyridine: structure and concomitant luminescent properties","CrystEngComm","2018","20","34","4997","","10.1039/C8CE00811F","","x-ray","0.71073","MoKα","","0.0437","0.0314","","","0.0718","0.0771","","","","","","1.065","","","","has coordinates,has disorder","229139","2020-10-21","18:00:00",""
"7231257","10.2461","0.0003","14.4076","0.0005","29.1376","0.001","81.788","0.001","89.038","0.001","82.266","0.001","4218.5","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C160 H108 Eu2 N18 O44 S14 U6 -","- C160 H108 Eu2 N18 O44 S14 U6 -","- C160 H108 Eu2 N18 O44 S14 U6 -","1","0.5","","Ridenour, J. August; Cahill, Christopher L.","Nine isomorphous lanthanide‒uranyl f‒f bimetallic materials with 2-thiophenecarboxylic acid and terpyridine: structure and concomitant luminescent properties","CrystEngComm","2018","20","34","4997","","10.1039/C8CE00811F","","x-ray","0.71073","MoKα","","0.0546","0.0319","","","0.0584","0.0639","","","","","","1.004","","","","has coordinates,has disorder","229139","2020-10-21","18:00:00",""
"7231258","10.2447","0.0003","14.4393","0.0005","28.987","0.0009","82.023","0.002","89.223","0.001","82.245","0.002","4207.6","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C160 H108 Er2 N18 O44 S14 U6 -","- C160 H108 Er2 N18 O44 S14 U6 -","- C160 H108 Er2 N18 O44 S14 U6 -","1","0.5","","Ridenour, J. August; Cahill, Christopher L.","Nine isomorphous lanthanide‒uranyl f‒f bimetallic materials with 2-thiophenecarboxylic acid and terpyridine: structure and concomitant luminescent properties","CrystEngComm","2018","20","34","4997","","10.1039/C8CE00811F","","x-ray","0.71073","MoKα","","0.0401","0.0252","","","0.0499","0.0534","","","","","","1.003","","","","has coordinates,has disorder","229139","2020-10-21","18:00:00",""
"7231259","5.4363","0.0007","10.3418","0.0013","11.8349","0.0017","90","","99.739","0.005","90","","655.78","0.15","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H16 Li N O5 -","- C13 H16 Li N O5 -","- C26 H32 Li2 N2 O10 -","2","1","","Lestari, Monica; Lusi, Matteo; O'Leary, Aoife; O'Nolan, Daniel; Zaworotko, Michael J.","Hygroscopicity of lithium coordination polymers and their solid solutions","CrystEngComm","2018","20","39","5940","","10.1039/C8CE00905H","","","0.71073","MoKα","","0.0592","0.0422","","","0.0814","0.0875","","","","","","1.034","","","","has coordinates","228982","2020-10-21","18:00:00",""
"7231260","5.4205","0.0007","10.3464","0.0013","11.5006","0.0015","90","","99.5","0.004","90","","636.14","0.14","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6.47 H7.93 Li0.5 N0.5 O2.47 -","- C6.4665 H7.933 Li0.5 N0.5 O2.4665 -","- C25.866 H31.732 Li2 N2 O9.866 -","4","2","","Lestari, Monica; Lusi, Matteo; O'Leary, Aoife; O'Nolan, Daniel; Zaworotko, Michael J.","Hygroscopicity of lithium coordination polymers and their solid solutions","CrystEngComm","2018","20","39","5940","","10.1039/C8CE00905H","","","0.71073","MoKα","","0.0503","0.04","","","0.0767","0.0787","","","","","","1.073","","","","has coordinates,has disorder","228982","2020-10-21","18:00:00",""
"7231261","10.1119","0.0018","10.5584","0.0019","11.746","0.002","90","","90","","90","","1254.1","0.4","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C12 H14 Li N O4 -","- C12 H14 Li N O4 -","- C48 H56 Li4 N4 O16 -","4","1","","Lestari, Monica; Lusi, Matteo; O'Leary, Aoife; O'Nolan, Daniel; Zaworotko, Michael J.","Hygroscopicity of lithium coordination polymers and their solid solutions","CrystEngComm","2018","20","39","5940","","10.1039/C8CE00905H","","","0.71073","MoKα","","0.108","0.0664","","","0.1352","0.1516","","","","","","1.063","","","","has coordinates,has disorder","228982","2020-10-21","18:00:00",""
"7231262","10.0666","0.0009","10.5869","0.0008","11.7836","0.0008","90","","90","","90","","1255.83","0.17","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C8.05 H9.44 Li0.67 N0.67 O2.72 -","- C8.06 H9.45333 Li0.666667 N0.666667 O2.72667 -","- C48.36 H56.72 Li4 N4 O16.36 -","6","1.5","","Lestari, Monica; Lusi, Matteo; O'Leary, Aoife; O'Nolan, Daniel; Zaworotko, Michael J.","Hygroscopicity of lithium coordination polymers and their solid solutions","CrystEngComm","2018","20","39","5940","","10.1039/C8CE00905H","","","0.71073","MoKα","","0.0497","0.0483","","","0.1282","0.1293","","","","","","1.154","","","","has coordinates,has disorder","228982","2020-10-21","18:00:00",""
"7231263","5.417","0.0003","10.359","0.0006","11.4916","0.0006","90","","99.552","0.001","90","","635.91","0.06","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H16 Li N O5 -","- C13 H16 Li N O5 -","- C26 H32 Li2 N2 O10 -","2","1","","Lestari, Monica; Lusi, Matteo; O'Leary, Aoife; O'Nolan, Daniel; Zaworotko, Michael J.","Hygroscopicity of lithium coordination polymers and their solid solutions","CrystEngComm","2018","20","39","5940","","10.1039/C8CE00905H","","","0.71073","MoKα","","0.02","0.0192","","","0.0479","0.0484","","","","","","1.102","","","","has coordinates","228982","2020-10-21","18:00:00",""
"7231264","10.0679","0.0005","10.5702","0.0006","11.7537","0.0007","90","","90","","90","","1250.83","0.12","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C12 H14 Li N O4 -","- C12 H14 Li N O4 -","- C48 H56 Li4 N4 O16 -","4","1","","Lestari, Monica; Lusi, Matteo; O'Leary, Aoife; O'Nolan, Daniel; Zaworotko, Michael J.","Hygroscopicity of lithium coordination polymers and their solid solutions","CrystEngComm","2018","20","39","5940","","10.1039/C8CE00905H","","","0.71073","MoKα","","0.0476","0.045","","","0.1234","0.1268","","","","","","1.114","","","","has coordinates","228982","2020-10-21","18:00:00",""
"7231265","9.596","0.007","10.606","0.008","13.967","0.01","76.205","0.009","84.844","0.009","84.742","0.009","1371.3","1.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 N2 Ni O10 -","- C28 H22 N2 Ni O10 -","- C56 H44 N4 Ni2 O20 -","2","1","","Lu, Sheng-Quan; Fang, Kang; Liu, Yong-Yao; Li, Ming-Xing; Liu, Sui-Jun; He, Xiang","Multivariant synthesis, crystal structures and properties of four nickel coordination polymers based on flexible ligands","CrystEngComm","2018","20","34","5045","","10.1039/C8CE00837J","","","0.71073","MoKα","","0.1031","0.0662","","","0.1756","0.1979","","","","","","1.096","","","","has coordinates","229144","2020-10-21","18:00:00",""
"7231266","13.498","0.003","15.706","0.004","15.066","0.004","90","","110.796","0.003","90","","2985.9","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 N2 Ni O10 -","- C28 H22 N2 Ni O9 -","- C112 H88 N8 Ni4 O36 -","4","1","","Lu, Sheng-Quan; Fang, Kang; Liu, Yong-Yao; Li, Ming-Xing; Liu, Sui-Jun; He, Xiang","Multivariant synthesis, crystal structures and properties of four nickel coordination polymers based on flexible ligands","CrystEngComm","2018","20","34","5045","","10.1039/C8CE00837J","","","0.71073","MoKα","","0.1136","0.0857","","","0.2897","0.3175","","","","","","1.181","","","","has coordinates","229144","2020-10-21","18:00:00",""
"7231267","10.173","0.006","13.321","0.007","13.327","0.007","72.941","0.005","83.845","0.006","81.978","0.006","1705.5","1.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H27 N3 Ni1.5 O11 -","- C34 H27 N3 Ni1.5 O11 -","- C68 H54 N6 Ni3 O22 -","2","1","","Lu, Sheng-Quan; Fang, Kang; Liu, Yong-Yao; Li, Ming-Xing; Liu, Sui-Jun; He, Xiang","Multivariant synthesis, crystal structures and properties of four nickel coordination polymers based on flexible ligands","CrystEngComm","2018","20","34","5045","","10.1039/C8CE00837J","","","0.71073","MoKα","","0.0702","0.048","","","0.1261","0.1432","","","","","","1.055","","","","has coordinates","229144","2020-10-21","18:00:00",""
"7231268","15.224","0.006","11.113","0.004","19.333","0.007","90","","108.501","0.005","90","","3102","2","296","2","296","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C28 H28 N2 Ni2 O11 -","- C28 H21 N2 Ni2 O11 -","- C112 H84 N8 Ni8 O44 -","4","1","","Lu, Sheng-Quan; Fang, Kang; Liu, Yong-Yao; Li, Ming-Xing; Liu, Sui-Jun; He, Xiang","Multivariant synthesis, crystal structures and properties of four nickel coordination polymers based on flexible ligands","CrystEngComm","2018","20","34","5045","","10.1039/C8CE00837J","","","0.71073","MoKα","","0.1225","0.066","","","0.1896","0.223","","","","","","1.025","","","","has coordinates","229144","2020-10-21","18:00:00",""
"7231269","7.372","0.0015","14.623","0.003","28.356","0.009","90","","90","","90","","3056.8","1.3","298","2","298.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H34 Co N4 O8 -","- C30 H32 Co N4 O8 -","- C120 H128 Co4 N16 O32 -","4","1","","Yu, Fan","A highly efficient heterogeneous catalyst of cobalt-based coordination polymers for aerobic epoxidation of cyclohexene","CrystEngComm","2018","20","34","5074","","10.1039/C8CE00899J","","","0.71073","MoKα","","0.052","0.0483","","","0.1076","0.1096","","","","","","1.123","","","","has coordinates","229143","2020-10-21","18:00:00",""
"7231272","14.577","0.0005","14.577","0.0005","14.577","0.0005","90","","90","","90","","3097.45","0.18","293","","293","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","","- C3 Ca Na4 O9 -","- C3 Ca0.9997 Na4.0003 O9 -","- C48 Ca15.9952 Na64.0048 O144 -","16","0.166667","","Rashchenko, Sergey V.; Shatskiy, Anton F.; Arefiev, Anton V.; Seryotkin, Yurii V.; Litasov, Konstantin D.","Na4Ca(CO3)3: a novel carbonate analog of borate optical materials","CrystEngComm","2018","20","35","5228","","10.1039/C8CE00745D","","x-ray","0.71073","MoKα","","0.0671","0.0462","","","0.0927","0.0965","","","","2.87","2.87","2.54","","","","has coordinates","229126","2020-10-21","18:00:00",""
"7231273","24.1738","0.0004","9.45562","0.00019","17.836","0.0003","90","","90","","90","","4076.92","0.13","295","2","295","2","","","","","","","","6","P b c n","-P 2n 2ab","60","1,3,5-trifluoro-2,4,6-triiodobenzene; 2-[(1E)-[(pyridin-3-yl)imino]methyl]phenol 1:1 cocrystal","1,3,5-trifluoro-2,4,6-triiodobenzene; 2-[(1E)-[(pyridin-3-yl)imino]methyl]phenol","","- C18 H10 F3 I3 N2 O -","- C18 H10 F3 I3 N2 O -","- C144 H80 F24 I24 N16 O8 -","8","1","","Carletta, Andrea; Zbačnik, Marija; Vitković, Matea; Tumanov, Nikolay; Stilinović, Vladimir; Wouters, Johan; Cinčić, Dominik","Halogen-bonded cocrystals of N-salicylidene Schiff bases and iodoperfluorinated benzenes: hydroxyl oxygen as a halogen bond acceptor","CrystEngComm","2018","20","36","5332","","10.1039/C8CE01145A","","","0.71073","MoKα","","0.0351","0.0247","","","0.0501","0.0539","","","","","","1.039","","","","has coordinates","229119","2020-10-21","18:00:00",""
"7231274","5.3298","0.0005","5.9839","0.0004","15.276","0.002","90.196","0.008","93.824","0.009","100.428","0.007","478.02","0.08","295","","295","","","","","","","","","6","P -1","-P 1","2","","","","- C19 H11 F4 I2 N O -","- C19 H11 F4 I2 N O -","- C19 H11 F4 I2 N O -","1","0.5","","Carletta, Andrea; Zbačnik, Marija; Vitković, Matea; Tumanov, Nikolay; Stilinović, Vladimir; Wouters, Johan; Cinčić, Dominik","Halogen-bonded cocrystals of N-salicylidene Schiff bases and iodoperfluorinated benzenes: hydroxyl oxygen as a halogen bond acceptor","CrystEngComm","2018","20","36","5332","","10.1039/C8CE01145A","","","0.71073","MoKα","","0.0621","0.0448","","","0.0896","0.1016","","","","","","0.994","","","","has coordinates,has disorder","229119","2020-10-21","18:00:00",""
"7231275","4.1899","0.0003","29.106","0.002","24.6798","0.0018","90","","92.834","0.007","90","","3006.1","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H20 F3 I3 N4 O2 -","- C30 H20 F3 I3 N4 O2 -","- C120 H80 F12 I12 N16 O8 -","4","1","","Carletta, Andrea; Zbačnik, Marija; Vitković, Matea; Tumanov, Nikolay; Stilinović, Vladimir; Wouters, Johan; Cinčić, Dominik","Halogen-bonded cocrystals of N-salicylidene Schiff bases and iodoperfluorinated benzenes: hydroxyl oxygen as a halogen bond acceptor","CrystEngComm","2018","20","36","5332","","10.1039/C8CE01145A","","x-ray","0.71073","MoKα","","0.0669","0.0465","","","0.0742","0.081","","","","","","1.118","","","","has coordinates","229119","2020-10-21","18:00:00",""
"7231276","7.2968","0.0005","15.2068","0.0012","19.3646","0.0015","110.783","0.007","91.701","0.006","100.999","0.006","1960.9","0.3","295","2","295","2","","","","","","","","6","P -1","-P 1","2","1,2,3,5-tetrafluoro-4,6-diiodobenzene 2-[(1E)-[(pyridin-3-yl)imino]methyl]phenol 1:1 cocrystal","1,2,3,5-tetrafluoro-4,6-diiodobenzene; 2-[(1E)-[(pyridin-3-yl)imino]methyl]phenol","","- C18 H10 F4 I2 N2 O -","- C18 H10 F4 I2 N2 O -","- C72 H40 F16 I8 N8 O4 -","4","2","","Carletta, Andrea; Zbačnik, Marija; Vitković, Matea; Tumanov, Nikolay; Stilinović, Vladimir; Wouters, Johan; Cinčić, Dominik","Halogen-bonded cocrystals of N-salicylidene Schiff bases and iodoperfluorinated benzenes: hydroxyl oxygen as a halogen bond acceptor","CrystEngComm","2018","20","36","5332","","10.1039/C8CE01145A","","","0.71073","MoKα","","0.0481","0.0323","","","0.0638","0.072","","","","","","1.019","","","","has coordinates","229119","2020-10-21","18:00:00",""
"7231277","15.3516","0.0005","5.75781","0.00016","16.8675","0.0006","90","","105.671","0.003","90","","1435.52","0.08","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","1,2,4,5-tetrafluoro-3,6-diiodobenzene 2-[(1E)-[(pyridin-3-yl)imino]methyl]phenol 1:2 cocrystal","1,2,4,5-tetrafluoro-3,6-diiodobenzene; bis(2-[(1E)-[(pyridin-3-yl)imino]methyl]phenol)","","- C15 H10 F2 I N2 O -","- C15 H10 F2 I N2 O -","- C60 H40 F8 I4 N8 O4 -","4","1","","Carletta, Andrea; Zbačnik, Marija; Vitković, Matea; Tumanov, Nikolay; Stilinović, Vladimir; Wouters, Johan; Cinčić, Dominik","Halogen-bonded cocrystals of N-salicylidene Schiff bases and iodoperfluorinated benzenes: hydroxyl oxygen as a halogen bond acceptor","CrystEngComm","2018","20","36","5332","","10.1039/C8CE01145A","","","0.71073","MoKα","","0.0433","0.0299","","","0.0622","0.068","","","","","","1.033","","","","has coordinates","229119","2020-10-21","18:00:00",""
"7231278","15.1118","0.0004","15.4367","0.0005","40.6572","0.0013","90","","95.516","0.003","90","","9440.4","0.5","173","0.14","173","0.14","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C46 H41 O16.5 Si3 -","- C46 H40 O16.5 Si3 -","- C368 H320 O132 Si24 -","8","2","","Delmas, Luke C.; White, Andrew J. P.; Pugh, David; Horton, Peter N.; Coles, Simon J.; Lickiss, Paul D.; Davies, Robert P.","Trisiloxane-centred metal‒organic frameworks and hydrogen bonded assemblies","CrystEngComm","2018","20","32","4541","","10.1039/C8CE00662H","","x-ray","1.54184","CuKα","","0.1005","0.0761","","","0.2181","0.2439","","","","","","1.039","","","","has coordinates,has disorder","228925","2020-10-21","18:00:00",""
"7231279","18.9725","0.0006","19.7061","0.0005","25.3721","0.0005","90","","98.476","0.002","90","","9382.4","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C74 H100 Mn3 N10 O24 Si3 -","- C74 H100 Mn3 N10 O24 Si3 -","- C296 H400 Mn12 N40 O96 Si12 -","4","0.5","","Delmas, Luke C.; White, Andrew J. P.; Pugh, David; Horton, Peter N.; Coles, Simon J.; Lickiss, Paul D.; Davies, Robert P.","Trisiloxane-centred metal‒organic frameworks and hydrogen bonded assemblies","CrystEngComm","2018","20","32","4541","","10.1039/C8CE00662H","","x-ray","0.71075","MoKα","K-L~3~","0.1112","0.0833","","","0.2471","0.2836","","","","","","1.078","","","","has coordinates,has disorder","228925","2020-10-21","18:00:00",""
"7231280","32.1888","0.0009","13.9804","0.0003","30.8839","0.0008","90","","95.684","0.003","90","","13829.8","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C59.25 H67.25 N4.75 O19.75 Si3 Zn3 -","- C46 H33 O16 Si3 Zn3 -","- C368 H264 O128 Si24 Zn24 -","8","1","","Delmas, Luke C.; White, Andrew J. P.; Pugh, David; Horton, Peter N.; Coles, Simon J.; Lickiss, Paul D.; Davies, Robert P.","Trisiloxane-centred metal‒organic frameworks and hydrogen bonded assemblies","CrystEngComm","2018","20","32","4541","","10.1039/C8CE00662H","","","1.54184","CuKα","","0.0558","0.0471","","","0.1332","0.1406","","","","","","1.062","","","","has coordinates,has disorder","228925","2020-10-21","18:00:00",""
"7231282","10.557","0.002","17.598","0.004","12.593","0.003","90","","103.25","0.03","90","","2277.3","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H18 Mn N2 O8 -","- C27 H18 Mn N2 O8 -","- C108 H72 Mn4 N8 O32 -","4","1","","Li, Shaodong; Lu, Liping; Zhu, Miaoli; Feng, Sisi; Su, Feng; Zhao, Xuefeng","Exploring the syntheses, structures, topologies, luminescence sensing and magnetism of Zn(ii) and Mn(ii) coordination polymers based on a semirigid tricarboxylate ligand","CrystEngComm","2018","20","36","5442","","10.1039/C8CE00947C","","","0.72","synchrotron","","0.0781","0.0644","","","0.1677","0.1748","","","","","","1.053","","","","has coordinates","229120","2020-10-21","18:00:00",""
"7231283","9.915","0.003","10.052","0.003","25.117","0.007","99.939","0.01","96.406","0.01","97.933","0.01","2418.5","1.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H38 Mn2 N8 O15 -","- C54 H38 Mn2 N8 O15 -","- C108 H76 Mn4 N16 O30 -","2","1","","Li, Shaodong; Lu, Liping; Zhu, Miaoli; Feng, Sisi; Su, Feng; Zhao, Xuefeng","Exploring the syntheses, structures, topologies, luminescence sensing and magnetism of Zn(ii) and Mn(ii) coordination polymers based on a semirigid tricarboxylate ligand","CrystEngComm","2018","20","36","5442","","10.1039/C8CE00947C","","","0.71073","MoKα","","0.1667","0.0623","","","0.1131","0.1478","","","","","","1.002","","","","has coordinates","229120","2020-10-21","18:00:00",""
"7231284","12.39","0.003","16.177","0.003","13.367","0.006","90","","120.16","0.02","90","","2316.5","1.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 N2 O9 Zn2 -","- C25 H16 N2 O8 Zn2 -","- C100 H64 N8 O32 Zn8 -","4","1","","Li, Shaodong; Lu, Liping; Zhu, Miaoli; Feng, Sisi; Su, Feng; Zhao, Xuefeng","Exploring the syntheses, structures, topologies, luminescence sensing and magnetism of Zn(ii) and Mn(ii) coordination polymers based on a semirigid tricarboxylate ligand","CrystEngComm","2018","20","36","5442","","10.1039/C8CE00947C","","","0.71","synchrotron","","0.0804","0.0762","","","0.2339","0.2364","","","","","","1.068","","","","has coordinates","229120","2020-10-21","18:00:00",""
"7231285","11.8697","0.0009","11.566","0.0009","16.8792","0.0013","90","","101.036","0.003","90","","2274.4","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H18 N2 O8 Zn -","- C27 H18 N2 O8 Zn -","- C108 H72 N8 O32 Zn4 -","4","1","","Li, Shaodong; Lu, Liping; Zhu, Miaoli; Feng, Sisi; Su, Feng; Zhao, Xuefeng","Exploring the syntheses, structures, topologies, luminescence sensing and magnetism of Zn(ii) and Mn(ii) coordination polymers based on a semirigid tricarboxylate ligand","CrystEngComm","2018","20","36","5442","","10.1039/C8CE00947C","","","0.71073","MoKα","","0.0795","0.0483","","","0.1422","0.1601","","","","","","1.022","","","","has coordinates","229120","2020-10-21","18:00:00",""
"7231286","18.1925","0.0005","40.2091","0.0013","9.548","0.0003","90","","90","","90","","6984.4","0.4","173","0.1","173","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C58 H73 Co3 N14 O20 -","- C58 H73 Co3 N14 O20 -","- C232 H292 Co12 N56 O80 -","4","0.5","","Gao, Xiang; Zhang, Shan-Shan; Yan, Hui; Li, Yun-Wu; Liu, Qing-Yun; Wang, Xing-Po; Tung, Chen-Ho; Ma, Hui-Yan; Sun, Di","A pillar-layered porous CoII-MOF with dual active sites for selective gas adsorption","CrystEngComm","2018","20","34","4905","","10.1039/C8CE01118D","","x-ray","1.54184","CuKα","","0.0847","0.0684","","","0.1865","0.2033","","","","","","1.046","","","","has coordinates,has disorder","229138","2020-10-21","18:00:00",""
"7231287","31.3723","0.0017","5.5593","0.0005","23.8849","0.0014","90","","101.048","0.006","90","","4088.5","0.5","130","2","130","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C43 H51 N6 O3.5 -","- C43 H51 N6 O3.5 -","- C172 H204 N24 O14 -","4","1","","Szymkowiak, Joanna; Warżajtis, Beata; Rychlewska, Urszula; Kwit, Marcin","Consistent supramolecular assembly arising from a mixture of components ‒ self-sorting and solid solutions of chiral oxygenated trianglimines","CrystEngComm","2018","20","35","5200","","10.1039/C8CE01044G","","","1.54184","CuKα","","0.1302","0.1033","","","0.2555","0.293","","","","","","1.007","","","","has coordinates,has disorder","229127","2020-10-21","18:00:00",""
"7231288","6.0032","0.0001","30.9388","0.0003","33.6555","0.0002","90","","90","","90","","6250.9","0.13","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C68 H56 Cl6 N6 O6 -","- C68 H56 Cl6 N6 O6 -","- C272 H224 Cl24 N24 O24 -","4","1","","Szymkowiak, Joanna; Warżajtis, Beata; Rychlewska, Urszula; Kwit, Marcin","Consistent supramolecular assembly arising from a mixture of components ‒ self-sorting and solid solutions of chiral oxygenated trianglimines","CrystEngComm","2018","20","35","5200","","10.1039/C8CE01044G","","","1.54184","CuKα","","0.0484","0.047","","","0.1246","0.1263","","","","","","1.054","","","","has coordinates,has disorder","229127","2020-10-21","18:00:00",""
"7231289","5.7811","0.0003","15.3719","0.0009","23.4378","0.0008","102.629","0.004","90.481","0.003","95.883","0.004","2020.72","0.18","130","2","130","2","","","","","","","","4","P 1","P 1","1","","","","- C42 H48 N6 O3 -","- C42 H48 N6 O3 -","- C84 H96 N12 O6 -","2","2","","Szymkowiak, Joanna; Warżajtis, Beata; Rychlewska, Urszula; Kwit, Marcin","Consistent supramolecular assembly arising from a mixture of components ‒ self-sorting and solid solutions of chiral oxygenated trianglimines","CrystEngComm","2018","20","35","5200","","10.1039/C8CE01044G","","","1.54184","CuKα","","0.1063","0.0683","","","0.1605","0.1827","","","","","","0.986","","","","has coordinates,has disorder","229127","2020-10-21","18:00:00",""
"7231290","9.8047","0.0001","43.1344","0.0004","19.4077","0.0002","90","","92.935","0.001","90","","8197.14","0.14","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42.4 H48.4 Cl1.2 N6 O3 -","- C42.4 H48.4 Cl1.2 N6 O3 -","- C339.2 H387.2 Cl9.6 N48 O24 -","8","2","","Szymkowiak, Joanna; Warżajtis, Beata; Rychlewska, Urszula; Kwit, Marcin","Consistent supramolecular assembly arising from a mixture of components ‒ self-sorting and solid solutions of chiral oxygenated trianglimines","CrystEngComm","2018","20","35","5200","","10.1039/C8CE01044G","","","1.54184","CuKα","","0.0586","0.0579","","","0.147","0.1475","","","","","","1.072","","","","has coordinates,has disorder","229127","2020-10-21","18:00:00",""
"7231291","4.2455","0.0015","46.493","0.015","8.218","0.002","90","","93.584","0.008","90","","1618.9","0.9","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H42 N2 O6 -","- C40 H42 N2 O6 -","- C80 H84 N4 O12 -","2","0.5","","Dharmarwardana, Madushani; Arimilli, Bhargav S.; Luzuriaga, Michael A.; Kwon, Sunah; Lee, Hamilton; Appuhamillage, Gayan A.; McCandless, Gregory T.; Smaldone, Ronald A.; Gassensmith, Jeremiah J.","The thermo-responsive behavior in molecular crystals of naphthalene diimides and their 3D printed thermochromic composites","CrystEngComm","2018","20","39","6054","","10.1039/C8CE00798E","","","0.71073","MoKα","","0.0694","0.0474","","","0.0997","0.1087","","","","","","1.054","","","","has coordinates","228972","2020-10-21","18:00:00",""
"7231292","4.362","0.003","51.35","0.04","8.268","0.005","90","","93.56","0.02","90","","1848","2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H50 N2 O6 -","- C44 H50 N2 O6 -","- C88 H100 N4 O12 -","2","0.5","","Dharmarwardana, Madushani; Arimilli, Bhargav S.; Luzuriaga, Michael A.; Kwon, Sunah; Lee, Hamilton; Appuhamillage, Gayan A.; McCandless, Gregory T.; Smaldone, Ronald A.; Gassensmith, Jeremiah J.","The thermo-responsive behavior in molecular crystals of naphthalene diimides and their 3D printed thermochromic composites","CrystEngComm","2018","20","39","6054","","10.1039/C8CE00798E","","","0.71073","MoKα","","0.1659","0.066","","","0.1205","0.1481","","","","","","1.019","","","","has coordinates","228972","2020-10-21","18:00:00",""
"7231293","4.2498","0.0017","8.217","0.003","24.826","0.007","97.903","0.009","93.317","0.009","93.732","0.008","854.9","0.5","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H46 N2 O6 -","- C42 H46 N2 O6 -","- C42 H46 N2 O6 -","1","0.5","","Dharmarwardana, Madushani; Arimilli, Bhargav S.; Luzuriaga, Michael A.; Kwon, Sunah; Lee, Hamilton; Appuhamillage, Gayan A.; McCandless, Gregory T.; Smaldone, Ronald A.; Gassensmith, Jeremiah J.","The thermo-responsive behavior in molecular crystals of naphthalene diimides and their 3D printed thermochromic composites","CrystEngComm","2018","20","39","6054","","10.1039/C8CE00798E","","","0.71073","MoKα","","0.115","0.0574","","","0.1105","0.1298","","","","","","1.031","","","","has coordinates","228972","2020-10-21","18:00:00",""
"7231294","4.3773","0.0018","46.183","0.015","8.215","0.003","90","","93.759","0.006","90","","1657.1","1.1","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H42 N2 O6 -","- C40 H42 N2 O6 -","- C80 H84 N4 O12 -","2","0.5","","Dharmarwardana, Madushani; Arimilli, Bhargav S.; Luzuriaga, Michael A.; Kwon, Sunah; Lee, Hamilton; Appuhamillage, Gayan A.; McCandless, Gregory T.; Smaldone, Ronald A.; Gassensmith, Jeremiah J.","The thermo-responsive behavior in molecular crystals of naphthalene diimides and their 3D printed thermochromic composites","CrystEngComm","2018","20","39","6054","","10.1039/C8CE00798E","","","0.71073","MoKα","","0.0903","0.0512","","","0.1107","0.1267","","","","","","1.028","","","","has coordinates","228972","2020-10-21","18:00:00",""
"7231295","4.3797","0.0017","8.22","0.003","24.683","0.008","98.313","0.013","93.051","0.008","93.777","0.006","875.6","0.5","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H46 N2 O6 -","- C42 H46 N2 O6 -","- C42 H46 N2 O6 -","1","0.5","","Dharmarwardana, Madushani; Arimilli, Bhargav S.; Luzuriaga, Michael A.; Kwon, Sunah; Lee, Hamilton; Appuhamillage, Gayan A.; McCandless, Gregory T.; Smaldone, Ronald A.; Gassensmith, Jeremiah J.","The thermo-responsive behavior in molecular crystals of naphthalene diimides and their 3D printed thermochromic composites","CrystEngComm","2018","20","39","6054","","10.1039/C8CE00798E","","","0.71073","MoKα","","0.1438","0.0608","","","0.1136","0.143","","","","","","1.006","","","","has coordinates","228972","2020-10-21","18:00:00",""
"7231296","4.2348","0.0019","51.591","0.019","8.261","0.003","90","","93.622","0.011","90","","1801.2","1.2","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H50 N2 O6 -","- C44 H50 N2 O6 -","- C88 H100 N4 O12 -","2","0.5","","Dharmarwardana, Madushani; Arimilli, Bhargav S.; Luzuriaga, Michael A.; Kwon, Sunah; Lee, Hamilton; Appuhamillage, Gayan A.; McCandless, Gregory T.; Smaldone, Ronald A.; Gassensmith, Jeremiah J.","The thermo-responsive behavior in molecular crystals of naphthalene diimides and their 3D printed thermochromic composites","CrystEngComm","2018","20","39","6054","","10.1039/C8CE00798E","","","0.71073","MoKα","","0.1554","0.0837","","","0.1418","0.1628","","","","","","1.109","","","","has coordinates","228972","2020-10-21","18:00:00",""
"7231297","8.395","0.003","8.853","0.003","23.938","0.009","89.528","0.011","80.712","0.014","62.6","0.02","1554.4","1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H38 N2 O6 -","- C38 H38 N2 O6 -","- C76 H76 N4 O12 -","2","1","","Dharmarwardana, Madushani; Arimilli, Bhargav S.; Luzuriaga, Michael A.; Kwon, Sunah; Lee, Hamilton; Appuhamillage, Gayan A.; McCandless, Gregory T.; Smaldone, Ronald A.; Gassensmith, Jeremiah J.","The thermo-responsive behavior in molecular crystals of naphthalene diimides and their 3D printed thermochromic composites","CrystEngComm","2018","20","39","6054","","10.1039/C8CE00798E","","","0.71073","MoKα","","0.0971","0.0551","","","0.1154","0.1333","","","","","","1.01","","","","has coordinates","228972","2020-10-21","18:00:00",""
"7231298","4.1696","0.0015","46.595","0.014","8.214","0.003","90","","93.529","0.01","90","","1592.8","0.9","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H42 N2 O6 -","- C40 H42 N2 O6 -","- C80 H84 N4 O12 -","2","0.5","","Dharmarwardana, Madushani; Arimilli, Bhargav S.; Luzuriaga, Michael A.; Kwon, Sunah; Lee, Hamilton; Appuhamillage, Gayan A.; McCandless, Gregory T.; Smaldone, Ronald A.; Gassensmith, Jeremiah J.","The thermo-responsive behavior in molecular crystals of naphthalene diimides and their 3D printed thermochromic composites","CrystEngComm","2018","20","39","6054","","10.1039/C8CE00798E","","","0.71073","MoKα","","0.0655","0.0458","","","0.0959","0.1043","","","","","","1.059","","","","has coordinates","228972","2020-10-21","18:00:00",""
"7231299","4.168","0.0014","8.217","0.003","24.901","0.007","97.81","0.01","93.453","0.007","93.834","0.006","840.9","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H46 N2 O6 -","- C42 H46 N2 O6 -","- C42 H46 N2 O6 -","1","0.5","","Dharmarwardana, Madushani; Arimilli, Bhargav S.; Luzuriaga, Michael A.; Kwon, Sunah; Lee, Hamilton; Appuhamillage, Gayan A.; McCandless, Gregory T.; Smaldone, Ronald A.; Gassensmith, Jeremiah J.","The thermo-responsive behavior in molecular crystals of naphthalene diimides and their 3D printed thermochromic composites","CrystEngComm","2018","20","39","6054","","10.1039/C8CE00798E","","","0.71073","MoKα","","0.0972","0.0536","","","0.1049","0.1199","","","","","","1.018","","","","has coordinates","228972","2020-10-21","18:00:00",""
"7231300","4.154","0.002","51.72","0.02","8.253","0.003","90","","93.663","0.012","90","","1769.5","1.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H50 N2 O6 -","- C44 H50 N2 O6 -","- C88 H100 N4 O12 -","2","0.5","","Dharmarwardana, Madushani; Arimilli, Bhargav S.; Luzuriaga, Michael A.; Kwon, Sunah; Lee, Hamilton; Appuhamillage, Gayan A.; McCandless, Gregory T.; Smaldone, Ronald A.; Gassensmith, Jeremiah J.","The thermo-responsive behavior in molecular crystals of naphthalene diimides and their 3D printed thermochromic composites","CrystEngComm","2018","20","39","6054","","10.1039/C8CE00798E","","","0.71073","MoKα","","0.0933","0.0551","","","0.1056","0.1178","","","","","","1.062","","","","has coordinates","228972","2020-10-21","18:00:00",""
"7231303","35.286","0.009","35.286","0.009","35.286","0.009","90","","90","","90","","43935","19","100","2","100","2","","","","","","","","5","F d -3 m","-F 4vw 2vw 3","227","","","","- C18 H6 Hf6 O33.08 Se1.56 -","- C18 H6 Hf6 O33.08 Se1.56 -","- C288 H96 Hf96 O529.28 Se24.96 -","16","","","Drout, Riki J.; Howarth, Ashlee J.; Otake, Ken-ichi; Islamoglu, Timur; Farha, Omar K.","Efficient extraction of inorganic selenium from water by a Zr metal‒organic framework: investigation of volumetric uptake capacity and binding motifs","CrystEngComm","2018","","","","","10.1039/C8CE00992A","","","1.54178","CuKα","","0.0994","0.0636","","","0.152","0.1722","","","","","","0.944","","","","has coordinates,has disorder","209459","2020-10-21","18:00:00",""
"7231304","35.0872","0.0011","35.0872","0.0011","35.0872","0.0011","90","","90","","90","","43196","2","100","2","100","2","","","","","","","","5","F d -3 m","-F 4vw 2vw 3","227","","","","- C18 H6 Hf6 O34.16 Se1.44 -","- C18 H6 Hf6 O34.16 Se1.44 -","- C288 H96 Hf96 O546.56 Se23.04 -","16","","","Drout, Riki J.; Howarth, Ashlee J.; Otake, Ken-ichi; Islamoglu, Timur; Farha, Omar K.","Efficient extraction of inorganic selenium from water by a Zr metal‒organic framework: investigation of volumetric uptake capacity and binding motifs","CrystEngComm","2018","","","","","10.1039/C8CE00992A","","","1.54178","CuKα","","0.0409","0.0363","","","0.111","0.1134","","","","","","1.125","","","","has coordinates,has disorder","209459","2020-10-21","18:00:00",""
"7231305","7.2851","0.0014","9.0281","0.0017","38.51","0.007","90","","95.23","0.003","90","","2522.3","0.8","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Indapamide-4,4'-Bipyridine cocrystal","4-chloro-N-(2-methyl-2,3-dihydroindol-1-yl)-3-sulfamoylbenzamide-4-pyridin-4-ylpyridine","","- C26 H24 Cl N5 O3 S -","- C26 H24 Cl N5 O3 S -","- C104 H96 Cl4 N20 O12 S4 -","4","1","","Allu, Suryanarayana; Suresh, Kuthuru; Bolla, Geetha; Mannava, M. K. Chaitanya; Nangia, Ashwini","Role of hydrogen bonding in cocrystals and coamorphous solids: indapamide as a case study","CrystEngComm","2019","21","13","2043","","10.1039/C8CE01075G","","","0.71073","MoKα","","0.0477","0.042","","","0.1073","0.1109","","","","","","1.087","","","","has coordinates","223639","2020-10-21","18:00:00",""
"7231306","7.3151","0.0002","8.937","0.0003","38.9526","0.0012","90","","93.702","0.002","90","","2541.21","0.14","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Indapamide-2,2'-Bipyridine cocrystal","4-chloro-N-(2-methyl-2,3-dihydroindol-1-yl)-3-sulfamoylbenzamide-2-pyridin-2-ylpyridine","","- C26 H24 Cl N5 O3 S -","- C26 H24 Cl N5 O3 S -","- C104 H96 Cl4 N20 O12 S4 -","4","1","","Allu, Suryanarayana; Suresh, Kuthuru; Bolla, Geetha; Mannava, M. K. Chaitanya; Nangia, Ashwini","Role of hydrogen bonding in cocrystals and coamorphous solids: indapamide as a case study","CrystEngComm","2019","21","13","2043","","10.1039/C8CE01075G","","","0.71073","MoKα","","0.1741","0.0798","","","0.1289","0.1536","","","","","","1.089","","","","has coordinates","223639","2020-10-21","18:00:00",""
"7231307","7.765","0.007","8.741","0.008","34.52","0.03","90","","93.96","0.04","90","","2337","4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Indapamide-methylpyridone cocrystal","4-chloro-N-(2-methyl-2,3-dihydroindol-1-yl)-3-sulfamoylbenzamide-6-methyl-2-pyridone","","- C22 H23 Cl N4 O4 S -","- C22 H23 Cl N4 O4 S -","- C88 H92 Cl4 N16 O16 S4 -","4","1","","Allu, Suryanarayana; Suresh, Kuthuru; Bolla, Geetha; Mannava, M. K. Chaitanya; Nangia, Ashwini","Role of hydrogen bonding in cocrystals and coamorphous solids: indapamide as a case study","CrystEngComm","2019","21","13","2043","","10.1039/C8CE01075G","","","0.71073","MoKα","","0.0785","0.0606","","","0.1354","0.1436","","","","","","1.102","","","","has coordinates","223639","2020-10-21","18:00:00",""
"7231308","7.1759","0.0003","9.4074","0.0004","39.0523","0.0017","90","","93.389","0.002","90","","2631.68","0.19","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Indapamide-Phenazine cocrystal","4-chloro-N-(2-methyl-2,3-dihydroindol-1-yl)-3-sulfamoylbenzamide-phenazine","","- C28 H24 Cl N5 O3 S -","- C28 H24 Cl N5 O3 S -","- C112 H96 Cl4 N20 O12 S4 -","4","1","","Allu, Suryanarayana; Suresh, Kuthuru; Bolla, Geetha; Mannava, M. K. Chaitanya; Nangia, Ashwini","Role of hydrogen bonding in cocrystals and coamorphous solids: indapamide as a case study","CrystEngComm","2019","21","13","2043","","10.1039/C8CE01075G","","","0.71073","MoKα","","0.0583","0.0531","","","0.1255","0.1282","","","","","","1.14","","","","has coordinates","223639","2020-10-21","18:00:00",""
"7231309","12.2238","0.0002","14.8267","0.0003","16.2328","0.0003","93.228","0.001","107.264","0.001","90.122","0.001","2804.46","0.09","298","2","298","2","","","","","","","","6","P -1","-P 1","2","Indapamide-1,2-Bis(4-pyridyl)ethylene cocrystal monohydrate","4-chloro-N-(2-methyl-2,3-dihydroindol-1-yl)-3-sulfamoylbenzamide-4-[(E)-2-pyridin-4-ylethenyl]pyridine-hydrate","","- C28 H28 Cl N5 O4 S -","- C28 H28 Cl N5 O4 S -","- C112 H112 Cl4 N20 O16 S4 -","4","2","","Allu, Suryanarayana; Suresh, Kuthuru; Bolla, Geetha; Mannava, M. K. Chaitanya; Nangia, Ashwini","Role of hydrogen bonding in cocrystals and coamorphous solids: indapamide as a case study","CrystEngComm","2019","21","13","2043","","10.1039/C8CE01075G","","","0.71073","MoKα","","0.1217","0.0717","","","0.1596","0.1793","","","","","","1.103","","","","has coordinates","223639","2020-10-21","18:00:00",""
"7231310","29.9695","0.0015","8.1566","0.0005","12.1516","0.0007","90","","90.466","0.005","90","","2970.4","0.3","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H32 N2 O8 -","- C36 H32 N2 O8 -","- C144 H128 N8 O32 -","4","0.5","","Chen, Shaojin; Liu, Wei; Ge, Zhaohai; Zhang, Wenxuan; Wang, Kun-Peng; Hu, Zhi-Qiang","Dimethylamine substituted bisbenzocoumarins: solvatochromic, mechanochromic and acidochromic properties","CrystEngComm","2018","20","36","5432","","10.1039/C8CE01034J","","x-ray","1.54184","CuKα","","0.0909","0.0743","","","0.2221","0.2329","","","","","","1.023","","","","has coordinates","229121","2020-10-21","18:00:00",""
"7231324","14.014","0.003","14.014","0.003","6.5964","0.0012","90","","90","","120","","1121.9","0.4","100","2","100","2","","","","","","","","3","P 32 2 1","P 32 2""","154","","","","- C14 H18 O2 -","- C14 H18 O2 -","- C42 H54 O6 -","3","0.5","","Das, Dinabandhu; Barbour, Leonard J.","Uniaxial negative thermal expansion induced by moiety twisting in an organic crystal","CrystEngComm","2018","20","35","5123","","10.1039/C8CE01169A","","","0.71073","MoKα","","0.1308","0.0839","","","0.2217","0.2382","","","","","","0.968","","","","has coordinates","229131","2020-10-21","18:00:00",""
"7231325","7.1163","0.0006","11.996","0.0011","14.4685","0.0013","90","","97.492","0.001","90","","1224.59","0.19","140","2","140","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,4-Bis(1-hydroxycyclopentyl)buta-1,3-diyne","","- C14 H18 O2 -","- C14 H18 O2 -","- C56 H72 O8 -","4","1","","Das, Dinabandhu; Barbour, Leonard J.","Uniaxial negative thermal expansion induced by moiety twisting in an organic crystal","CrystEngComm","2018","20","35","5123","","10.1039/C8CE01169A","","","0.71073","MoKα","","0.0723","0.058","","","0.1449","0.1566","","","","","","1.08","","","","has coordinates","229131","2020-10-21","18:00:00",""
"7231326","14.3565","0.0005","14.3565","0.0005","6.5749","0.0002","90","","90","","120","","1173.59","0.07","100","2","100","2","","","","","","","","3","P 32 2 1","P 32 2""","154","","","","- C14 H18 O2 -","- C14 H18 O2 -","- C42 H54 O6 -","3","0.5","","Das, Dinabandhu; Barbour, Leonard J.","Uniaxial negative thermal expansion induced by moiety twisting in an organic crystal","CrystEngComm","2018","20","35","5123","","10.1039/C8CE01169A","","","0.71073","MoKα","","0.0528","0.0497","","","0.1347","0.1365","","","","","","1.104","","","","has coordinates","229131","2020-10-21","18:00:00",""
"7231327","14.205","0.004","14.205","0.004","6.6233","0.0018","90","","90","","120","","1157.4","0.6","100","2","100","2","","","","","","","","3","P 32 2 1","P 32 2""","154","","","","- C14 H18 O2 -","- C14 H18 O2 -","- C42 H54 O6 -","3","0.5","","Das, Dinabandhu; Barbour, Leonard J.","Uniaxial negative thermal expansion induced by moiety twisting in an organic crystal","CrystEngComm","2018","20","35","5123","","10.1039/C8CE01169A","","","0.71073","MoKα","","0.1262","0.0718","","","0.1622","0.1868","","","","","","0.943","","","","has coordinates","229131","2020-10-21","18:00:00",""
"7231328","6.9574","0.001","12.3167","0.0017","14.993","0.002","90","","97.665","0.002","90","","1273.3","0.3","340","2","340","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,4-Bis(1-hydroxycyclopentyl)buta-1,3-diyne","","- C14 H18 O2 -","- C14 H18 O2 -","- C56 H72 O8 -","4","1","","Das, Dinabandhu; Barbour, Leonard J.","Uniaxial negative thermal expansion induced by moiety twisting in an organic crystal","CrystEngComm","2018","20","35","5123","","10.1039/C8CE01169A","","","0.71073","MoKα","","0.1157","0.0646","","","0.1974","0.2429","","","","","","1.055","","","","has coordinates","229131","2020-10-21","18:00:00",""
"7231329","7.1268","0.0007","11.9819","0.0011","14.4375","0.0013","90","","97.432","0.001","90","","1222.5","0.2","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,4-Bis(1-hydroxycyclopentyl)buta-1,3-diyne","","- C14 H18 O2 -","- C14 H18 O2 -","- C56 H72 O8 -","4","1","","Das, Dinabandhu; Barbour, Leonard J.","Uniaxial negative thermal expansion induced by moiety twisting in an organic crystal","CrystEngComm","2018","20","35","5123","","10.1039/C8CE01169A","","","0.71073","MoKα","","0.0755","0.0614","","","0.1452","0.1564","","","","","","1.056","","","","has coordinates","229131","2020-10-21","18:00:00",""
"7231330","6.9814","0.0012","12.218","0.002","14.914","0.003","90","","97.532","0.003","90","","1261.2","0.4","300","2","300","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,4-Bis(1-hydroxycyclopentyl)buta-1,3-diyne","","- C14 H18 O2 -","- C14 H18 O2 -","- C56 H72 O8 -","4","1","","Das, Dinabandhu; Barbour, Leonard J.","Uniaxial negative thermal expansion induced by moiety twisting in an organic crystal","CrystEngComm","2018","20","35","5123","","10.1039/C8CE01169A","","","0.71073","MoKα","","0.0967","0.0598","","","0.1767","0.2077","","","","","","1.064","","","","has coordinates","229131","2020-10-21","18:00:00",""
"7231331","7.1352","0.0006","11.9641","0.001","14.4049","0.0012","90","","97.366","0.001","90","","1219.54","0.18","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,4-Bis(1-hydroxycyclopentyl)buta-1,3-diyne","","- C14 H18 O2 -","- C14 H18 O2 -","- C56 H72 O8 -","4","1","","Das, Dinabandhu; Barbour, Leonard J.","Uniaxial negative thermal expansion induced by moiety twisting in an organic crystal","CrystEngComm","2018","20","35","5123","","10.1039/C8CE01169A","","","0.71073","MoKα","","0.0775","0.0666","","","0.1593","0.1682","","","","","","1.065","","","","has coordinates","229131","2020-10-21","18:00:00",""
"7231332","6.967","0.0014","12.261","0.002","14.96","0.003","90","","97.58","0.003","90","","1266.8","0.4","320","2","320","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,4-Bis(1-hydroxycyclopentyl)buta-1,3-diyne","","- C14 H18 O2 -","- C14 H18 O2 -","- C56 H72 O8 -","4","1","","Das, Dinabandhu; Barbour, Leonard J.","Uniaxial negative thermal expansion induced by moiety twisting in an organic crystal","CrystEngComm","2018","20","35","5123","","10.1039/C8CE01169A","","","0.71073","MoKα","","0.1051","0.0618","","","0.1915","0.2282","","","","","","1.078","","","","has coordinates","229131","2020-10-21","18:00:00",""
"7231333","7.112","0.0006","12.0123","0.0011","14.5","0.0013","90","","97.558","0.001","90","","1227.99","0.19","160","2","160","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,4-Bis(1-hydroxycyclopentyl)buta-1,3-diyne","","- C14 H18 O2 -","- C14 H18 O2 -","- C56 H72 O8 -","4","1","","Das, Dinabandhu; Barbour, Leonard J.","Uniaxial negative thermal expansion induced by moiety twisting in an organic crystal","CrystEngComm","2018","20","35","5123","","10.1039/C8CE01169A","","","0.71073","MoKα","","0.0727","0.0571","","","0.1457","0.1608","","","","","","1.064","","","","has coordinates","229131","2020-10-21","18:00:00",""
"7231334","14.25","0.007","14.25","0.007","6.62","0.007","90","","90","","120","","1164.2","1.5","173","2","100","2","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- C10.5 H13.5 N0 O1.5 -","- C10.5 H13.5 O1.5 -","- C42 H54 O6 -","4","0.666667","","Das, Dinabandhu; Barbour, Leonard J.","Uniaxial negative thermal expansion induced by moiety twisting in an organic crystal","CrystEngComm","2018","20","35","5123","","10.1039/C8CE01169A","","","0.71073","MoKα","","0.2045","0.0835","","","0.2036","0.2461","","","","","","0.838","","","","has coordinates","229131","2020-10-21","18:00:00",""
"7231335","6.993","0.0008","12.1747","0.0014","14.8694","0.0018","90","","97.493","0.002","90","","1255.1","0.3","280","2","280","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,4-Bis(1-hydroxycyclopentyl)buta-1,3-diyne","","- C14 H18 O2 -","- C14 H18 O2 -","- C56 H72 O8 -","4","1","","Das, Dinabandhu; Barbour, Leonard J.","Uniaxial negative thermal expansion induced by moiety twisting in an organic crystal","CrystEngComm","2018","20","35","5123","","10.1039/C8CE01169A","","","0.71073","MoKα","","0.0902","0.0578","","","0.1624","0.1906","","","","","","1.058","","","","has coordinates","229131","2020-10-21","18:00:00",""
"7231336","7.0442","0.0007","12.0864","0.0011","14.7091","0.0014","90","","97.509","0.001","90","","1241.6","0.2","220","2","220","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,4-Bis(1-hydroxycyclopentyl)buta-1,3-diyne","","- C14 H18 O2 -","- C14 H18 O2 -","- C56 H72 O8 -","4","1","","Das, Dinabandhu; Barbour, Leonard J.","Uniaxial negative thermal expansion induced by moiety twisting in an organic crystal","CrystEngComm","2018","20","35","5123","","10.1039/C8CE01169A","","","0.71073","MoKα","","0.0783","0.0566","","","0.1472","0.1647","","","","","","1.063","","","","has coordinates","229131","2020-10-21","18:00:00",""
"7231337","7.0671","0.0007","12.0636","0.0011","14.6451","0.0013","90","","97.534","0.001","90","","1237.8","0.2","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,4-Bis(1-hydroxycyclopentyl)buta-1,3-diyne","","- C14 H18 O2 -","- C14 H18 O2 -","- C56 H72 O8 -","4","1","","Das, Dinabandhu; Barbour, Leonard J.","Uniaxial negative thermal expansion induced by moiety twisting in an organic crystal","CrystEngComm","2018","20","35","5123","","10.1039/C8CE01169A","","","0.71073","MoKα","","0.0746","0.0558","","","0.1465","0.1622","","","","","","1.062","","","","has coordinates","229131","2020-10-21","18:00:00",""
"7231338","7.0251","0.0008","12.1145","0.0013","14.77","0.0016","90","","97.488","0.002","90","","1246.3","0.2","240","2","240","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,4-Bis(1-hydroxycyclopentyl)buta-1,3-diyne","","- C14 H18 O2 -","- C14 H18 O2 -","- C56 H72 O8 -","4","1","","Das, Dinabandhu; Barbour, Leonard J.","Uniaxial negative thermal expansion induced by moiety twisting in an organic crystal","CrystEngComm","2018","20","35","5123","","10.1039/C8CE01169A","","","0.71073","MoKα","","0.0803","0.0561","","","0.1498","0.168","","","","","","1.062","","","","has coordinates","229131","2020-10-21","18:00:00",""
"7231339","7.0911","0.0007","12.0408","0.0011","14.5761","0.0013","90","","97.552","0.001","90","","1233.7","0.2","180","2","180","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,4-Bis(1-hydroxycyclopentyl)buta-1,3-diyne","","- C14 H18 O2 -","- C14 H18 O2 -","- C56 H72 O8 -","4","1","","Das, Dinabandhu; Barbour, Leonard J.","Uniaxial negative thermal expansion induced by moiety twisting in an organic crystal","CrystEngComm","2018","20","35","5123","","10.1039/C8CE01169A","","","0.71073","MoKα","","0.0732","0.0565","","","0.1467","0.1605","","","","","","1.076","","","","has coordinates","229131","2020-10-21","18:00:00",""
"7231340","7.0076","0.0008","12.142","0.0015","14.8216","0.0018","90","","97.481","0.002","90","","1250.4","0.3","260","2","260","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,4-Bis(1-hydroxycyclopentyl)buta-1,3-diyne","","- C14 H18 O2 -","- C14 H18 O2 -","- C56 H72 O8 -","4","1","","Das, Dinabandhu; Barbour, Leonard J.","Uniaxial negative thermal expansion induced by moiety twisting in an organic crystal","CrystEngComm","2018","20","35","5123","","10.1039/C8CE01169A","","","0.71073","MoKα","","0.0843","0.0561","","","0.1527","0.1754","","","","","","1.055","","","","has coordinates","229131","2020-10-21","18:00:00",""
"7231341","12.9994","0.0008","12.9994","0.0008","29.744","0.002","90","","90","","90","","5026.3","0.6","170","2","170","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C50 H54 N6 O15 S2 -","- C50 H54 N6 O15 S2 -","- C200 H216 N24 O60 S8 -","4","0.5","","Wang, Feng-Yuan; Zhang, Qi; Zhang, Zaiyong; Gong, Xiaoyi; Wang, Jian-Rong; Mei, Xuefeng","Solid-state characterization and solubility enhancement of apremilast drug‒drug cocrystals","CrystEngComm","2018","20","39","5945","","10.1039/C8CE00689J","","","0.71073","MoKα","","0.0949","0.06","","","0.1552","0.1776","","","","","","1.06","","","","has coordinates,has disorder","228971","2020-10-21","18:00:00",""
"7231342","13.13","0.0003","13.13","0.0003","28.8287","0.0006","90","","90","","90","","4969.98","0.19","50","","50","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C51 H55 N8 O16 S2 -","- C51 H55 N8 O16 S2 -","- C204 H220 N32 O64 S8 -","4","0.5","","Wang, Feng-Yuan; Zhang, Qi; Zhang, Zaiyong; Gong, Xiaoyi; Wang, Jian-Rong; Mei, Xuefeng","Solid-state characterization and solubility enhancement of apremilast drug‒drug cocrystals","CrystEngComm","2018","20","39","5945","","10.1039/C8CE00689J","","","0.71073","MoKα","","0.1237","0.1208","","","0.2959","0.2985","","","","","","1.05","","","","has coordinates,has disorder","228971","2020-10-21","18:00:00",""
"7231343","12.872","0.002","18.867","0.003","9.9383","0.0015","90","","90","","90","","2413.6","0.6","173","2","173.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C24 H32 Cd N4 O4 -","- C24 H32 Cd N4 O4 -","- C96 H128 Cd4 N16 O16 -","4","0.5","","LaDuca, Andrew R.; LaDuca, Robert L.","Nitroaromatic-detecting cadmium cyclohexyldicarboxylate coordination polymers with bis(4-pyridylmethyl)piperazine coligands and unprecedented 2D and 3D topologies","CrystEngComm","2018","20","38","5677","","10.1039/C8CE01041B","","","0.71073","MoKα","","0.0493","0.0357","","","0.0937","0.1046","","","","","","1.062","","","","has coordinates,has disorder","229148","2020-10-21","18:00:00",""
"7231344","4.9673","0.0002","11.0634","0.0008","14.1225","0.0008","88.044","0.005","83.108","0.004","82.997","0.004","764.6","0.08","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H40 Cd2 N4 O8 -","- C32 H40 Cd2 N4 O8 -","- C32 H40 Cd2 N4 O8 -","1","0.5","","LaDuca, Andrew R.; LaDuca, Robert L.","Nitroaromatic-detecting cadmium cyclohexyldicarboxylate coordination polymers with bis(4-pyridylmethyl)piperazine coligands and unprecedented 2D and 3D topologies","CrystEngComm","2018","20","38","5677","","10.1039/C8CE01041B","","","0.71073","MoKα","","0.029","0.0268","","","0.0625","0.064","","","","","","1.059","","","","has coordinates","229148","2020-10-21","18:00:00",""
"7231345","7.5109","0.0006","10.1052","0.0007","15.4694","0.0011","89.61","0.001","88.201","0.001","84.586","0.001","1168.29","0.15","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H28.5 Cd N4 O4.25 -","- C24 H28.5 Cd N4 O4.25 -","- C48 H57 Cd2 N8 O8.5 -","2","1","","LaDuca, Andrew R.; LaDuca, Robert L.","Nitroaromatic-detecting cadmium cyclohexyldicarboxylate coordination polymers with bis(4-pyridylmethyl)piperazine coligands and unprecedented 2D and 3D topologies","CrystEngComm","2018","20","38","5677","","10.1039/C8CE01041B","","","0.71073","MoKα","","0.032","0.0288","","","0.0605","0.0623","","","","","","1.13","","","","has coordinates","229148","2020-10-21","18:00:00",""
"7231353","10.1548","0.0004","10.837","0.0004","12.2962","0.0005","91.796","0.001","98.909","0.001","112.907","0.001","1225.16","0.08","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H14 N12 O4 Zn -","- C22 H14 N12 O4 Zn -","- C44 H28 N24 O8 Zn2 -","2","1","","Deng, Shu-Qi; Mo, Xiao-Jing; Feng, Yin; Cai, Song-Liang; Zhang, Wei-Guang; Zheng, Sheng-Run","Construction of d10 metal coordination polymers based on in situ formed 3,5-di(1H-1,2,4-triazol-1-yl)benzoic acid from different precursors: influence of in situ hydrolysis reactions on assembly process","CrystEngComm","2018","20","37","5531","","10.1039/C8CE01233D","","","0.71073","MoKα","","0.0352","0.0336","","","0.1046","0.1057","","","","","","1.038","","","","has coordinates","228909","2020-10-21","18:00:00",""
"7231354","10.713","0.003","6.9055","0.0016","18.844","0.004","90","","100.097","0.004","90","","1372.5","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H7 N7 O5 Zn -","- C11 H7 N7 O5 Zn -","- C44 H28 N28 O20 Zn4 -","4","1","","Deng, Shu-Qi; Mo, Xiao-Jing; Feng, Yin; Cai, Song-Liang; Zhang, Wei-Guang; Zheng, Sheng-Run","Construction of d10 metal coordination polymers based on in situ formed 3,5-di(1H-1,2,4-triazol-1-yl)benzoic acid from different precursors: influence of in situ hydrolysis reactions on assembly process","CrystEngComm","2018","20","37","5531","","10.1039/C8CE01233D","","","0.71073","MoKα","","0.057","0.0385","","","0.0906","0.0995","","","","","","1.035","","","","has coordinates","228909","2020-10-21","18:00:00",""
"7231355","6.0986","0.001","15.19","0.003","13.895","0.002","90","","100.349","0.005","90","","1266.3","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 Cl2 N12 O4 Zn2 -","- C22 H14 Cl2 N12 O4 Zn2 -","- C44 H28 Cl4 N24 O8 Zn4 -","2","0.5","","Deng, Shu-Qi; Mo, Xiao-Jing; Feng, Yin; Cai, Song-Liang; Zhang, Wei-Guang; Zheng, Sheng-Run","Construction of d10 metal coordination polymers based on in situ formed 3,5-di(1H-1,2,4-triazol-1-yl)benzoic acid from different precursors: influence of in situ hydrolysis reactions on assembly process","CrystEngComm","2018","20","37","5531","","10.1039/C8CE01233D","","","0.71073","MoKα","","0.0289","0.0254","","","0.0985","0.1038","","","","","","1.002","","","","has coordinates","228909","2020-10-21","18:00:00",""
"7231356","9.174","0.008","11.395","0.009","10.554","0.008","90","","101.254","0.013","90","","1082.1","1.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 Cd N12 O4 -","- C22 H14 Cd N12 O4 -","- C44 H28 Cd2 N24 O8 -","2","0.5","","Deng, Shu-Qi; Mo, Xiao-Jing; Feng, Yin; Cai, Song-Liang; Zhang, Wei-Guang; Zheng, Sheng-Run","Construction of d10 metal coordination polymers based on in situ formed 3,5-di(1H-1,2,4-triazol-1-yl)benzoic acid from different precursors: influence of in situ hydrolysis reactions on assembly process","CrystEngComm","2018","20","37","5531","","10.1039/C8CE01233D","","","0.71073","MoKα","","0.0363","0.0291","","","0.0768","0.0817","","","","","","1.062","","","","has coordinates,has disorder","228909","2020-10-21","18:00:00",""
"7231357","12.146","0.005","18.094","0.008","7.506","0.003","90","","107.505","0.007","90","","1573.2","1.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 Cd N7 O7 -","- C11 H7 Cd N7 O7 -","- C44 H28 Cd4 N28 O28 -","4","1","","Deng, Shu-Qi; Mo, Xiao-Jing; Feng, Yin; Cai, Song-Liang; Zhang, Wei-Guang; Zheng, Sheng-Run","Construction of d10 metal coordination polymers based on in situ formed 3,5-di(1H-1,2,4-triazol-1-yl)benzoic acid from different precursors: influence of in situ hydrolysis reactions on assembly process","CrystEngComm","2018","20","37","5531","","10.1039/C8CE01233D","","","0.71073","MoKα","","0.1372","0.1174","","","0.3045","0.3122","","","","","","1.038","","","","has coordinates,has disorder","228909","2020-10-21","18:00:00",""
"7231358","4.4245","0.0003","26.1617","0.0019","9.5862","0.0007","90","","92.754","0.002","90","","1108.34","0.14","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H14 Cd N12 O4 -","- C22 H14 Cd N12 O4 -","- C44 H28 Cd2 N24 O8 -","2","1","","Deng, Shu-Qi; Mo, Xiao-Jing; Feng, Yin; Cai, Song-Liang; Zhang, Wei-Guang; Zheng, Sheng-Run","Construction of d10 metal coordination polymers based on in situ formed 3,5-di(1H-1,2,4-triazol-1-yl)benzoic acid from different precursors: influence of in situ hydrolysis reactions on assembly process","CrystEngComm","2018","20","37","5531","","10.1039/C8CE01233D","","","0.71073","MoKα","","0.0262","0.0261","","","0.0682","0.0683","","","","","","1.02","","","","has coordinates","228909","2020-10-21","18:00:00",""
"7231359","34.2197","0.0012","7.8669","0.0003","18.949","0.0007","90","","104.802","0.001","90","","4931.8","0.3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 Cd N12 O5 -","- C21.9999 H13.9999 Cd N11.9999 O5 -","- C175.999 H111.999 Cd8 N95.9992 O40 -","8","1","","Deng, Shu-Qi; Mo, Xiao-Jing; Feng, Yin; Cai, Song-Liang; Zhang, Wei-Guang; Zheng, Sheng-Run","Construction of d10 metal coordination polymers based on in situ formed 3,5-di(1H-1,2,4-triazol-1-yl)benzoic acid from different precursors: influence of in situ hydrolysis reactions on assembly process","CrystEngComm","2018","20","37","5531","","10.1039/C8CE01233D","","","0.71073","MoKα","","0.0306","0.0265","","","0.0723","0.0745","","","","","","1.059","","","","has coordinates,has disorder","228909","2020-10-21","18:00:00",""
"7231360","10.4993","0.0005","16.0117","0.0008","25.1481","0.0012","90","","90","","90","","4227.7","0.4","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","SMT-SAC salt","","","- C19 H19 N5 O5 S2 -","- C19 H19 N5 O5 S2 -","- C152 H152 N40 O40 S16 -","8","1","","Perumalla, Sathyanarayana Reddy; Wang, Chenguang; Guo, Yiwang; Shi, Limin; Sun, Changquan Calvin","Robust bulk preparation and characterization of sulfamethazine and saccharine salt and cocrystal polymorphs","CrystEngComm","2019","21","13","2089","","10.1039/C8CE01076E","","","1.54178","CuKα","","0.0338","0.0335","","","0.0874","0.0877","","","","","","1.084","","","","has coordinates","223633","2020-10-21","18:00:00",""
"7231361","8.0291","0.0002","17.5002","0.0004","14.6076","0.0003","90","","107.827","0.001","90","","1953.97","0.08","128","2","128","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 N5 O5 S2 -","- C19 H19 N5 O5 S2 -","- C76 H76 N20 O20 S8 -","4","1","","Perumalla, Sathyanarayana Reddy; Wang, Chenguang; Guo, Yiwang; Shi, Limin; Sun, Changquan Calvin","Robust bulk preparation and characterization of sulfamethazine and saccharine salt and cocrystal polymorphs","CrystEngComm","2019","21","13","2089","","10.1039/C8CE01076E","","","1.54178","CuKα","","0.0541","0.043","","","0.0996","0.105","","","","","","1.083","","","","has coordinates","223633","2020-10-21","18:00:00",""
"7231362","27.56","0.004","27.56","0.004","12.012","0.002","90","","90","","90","","9124","2","293","2","293","2","","","","","","","","7","I 41/a m d","-I 4bd 2","141","","","","- C48 H40 Mo24 N16 O80 P2 Zn8 -","- C48 H40 Mo24 N16 O80 P2 Zn8 -","- C96 H80 Mo48 N32 O160 P4 Zn16 -","2","","","Peng, Hai-Yue; Yang, Xiao-Jian; Ma, Yuan-Yuan; Liu, Jia-Ning; Wang, Yong-Hui; Tan, Huaqiao; Li, Yang-Guang","Polyoxometalate-based metal-organic framework loading with ultra-low amount of Pt as efficient electrocatalyst for hydrogen production","CrystEngComm","2018","","","","","10.1039/C8CE01151F","","","0.71073","MoKα","","0.0778","0.0669","","","0.1675","0.1782","","","","","","1.035","","","","has coordinates","209658","2020-10-21","18:00:00",""
"7231370","5.7789","0.0003","12.3293","0.0007","24.9401","0.0014","90","","90","","90","","1776.98","0.17","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 Cl N3 O4 -","- C18 H20 Cl N3 O4 -","- C72 H80 Cl4 N12 O16 -","4","1","","Li, Duanxiu; Kong, Minmin; Li, Jiong; Deng, Zongwu; Zhang, Hailu","Amine‒carboxylate supramolecular synthon in pharmaceutical cocrystals","CrystEngComm","2018","20","35","5112","","10.1039/C8CE01106K","","","0.71073","MoKα","","0.0559","0.0361","","","0.104","0.1268","","","","","","0.933","","","","has coordinates","229129","2020-10-21","18:00:00",""
"7231371","9.5641","0.0007","20.0364","0.001","30.4887","0.0017","90","","90","","90","","5842.6","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H32 F3 N5 O6 S -","- C27 H32 F3 N5 O6 S -","- C216 H256 F24 N40 O48 S8 -","8","2","","Li, Duanxiu; Kong, Minmin; Li, Jiong; Deng, Zongwu; Zhang, Hailu","Amine‒carboxylate supramolecular synthon in pharmaceutical cocrystals","CrystEngComm","2018","20","35","5112","","10.1039/C8CE01106K","","","0.71073","MoKα","","0.1115","0.0657","","","0.1271","0.1437","","","","","","1.009","","","","has coordinates,has disorder","229129","2020-10-21","18:00:00",""
"7231372","5.5932","0.0003","6.0945","0.0004","16.8563","0.0008","97.308","0.004","94.713","0.004","107.291","0.005","539.79","0.06","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C9 H13 F N4 O3 -","- C9 H13 F N4 O3 -","- C18 H26 F2 N8 O6 -","2","2","","Li, Duanxiu; Kong, Minmin; Li, Jiong; Deng, Zongwu; Zhang, Hailu","Amine‒carboxylate supramolecular synthon in pharmaceutical cocrystals","CrystEngComm","2018","20","35","5112","","10.1039/C8CE01106K","","","1.54178","CuKα","","0.0426","0.0417","","","0.1117","0.1137","","","","","","1.047","","","","has coordinates","229129","2020-10-21","18:00:00",""
"7231373","11.185","0.0009","8.9191","0.0009","17.2838","0.0015","90","","96.393","0.009","90","","1713.5","0.3","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H19 N5 O4 S2 -","- C14 H19 N5 O4 S2 -","- C56 H76 N20 O16 S8 -","4","2","","Li, Duanxiu; Kong, Minmin; Li, Jiong; Deng, Zongwu; Zhang, Hailu","Amine‒carboxylate supramolecular synthon in pharmaceutical cocrystals","CrystEngComm","2018","20","35","5112","","10.1039/C8CE01106K","","","0.71073","MoKα","","0.0921","0.0556","","","0.1151","0.1332","","","","","","0.973","","","","has coordinates","229129","2020-10-21","18:00:00",""
"7231381","11.4132","0.0008","18.7392","0.0012","19.1989","0.0011","71.434","0.005","73.347","0.005","81.818","0.005","3723.3","0.4","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","Henicosa-[μ~3~-oxido]-nonadeca-[μ~3~-hydroxido]-octa-[μ-hydroxido]-tetraicosa-[μ-formiato-κ^2^O1:O2]-tetra-[formiato-κ^2^O1:O2]-hepta-[formiato-κO]-pentaaqua-hexaicosazirconium(IV) penta-formic acid solvate pentadecahydrate","","- C40 H82 O133 Zr26 -","- C40 H40 O133 Zr26 -","- C40 H40 O133 Zr26 -","1","0.5","","Nateghi, Bahareh; Boldog, Ishtvan; Domasevitch, Konstiantyn V.; Janiak, Christoph","More versatility than thought: large {Zr26} oxocarboxylate cluster by corner-sharing of standard octahedral subunits","CrystEngComm","2018","20","35","5132","","10.1039/C8CE01064A","","","1.54186","CuKα","","0.0719","0.0561","","","0.1533","0.1625","","","","","","0.981","","","","has coordinates,has disorder","229123","2020-10-21","18:00:00",""
"7231385","12.402","","14.734","","20.85","","90","","90","","90","","3809.94","","293","2","293","2","","","","","","","","5","P n n m","-P 2 2n","58","","tetra(isonicotinato)-(acetato)-di(aqua)-(?3-hydroxo)-tri-manganese(ii)","","- C26 H22 Mn3 N4 O12 -","- C26 H22 Mn3 N4 O12 -","- C104 H88 Mn12 N16 O48 -","4","0.5","","Zhou, Lei; Zhou, Baolei; Cui, Zheng; Qin, Bowen; Zhang, Xiaoying; Li, Wenliang; Zhang, Jingping","Charge control of the formation of two neutral/cationic metal‒organic frameworks based on neutral/cationic triangular clusters and isonicotinic acid: structure, gas adsorption and magnetism","CrystEngComm","2018","20","36","5402","","10.1039/C8CE00997J","","","0.71073","MoKα","","0.049","0.0437","","","0.1258","0.1285","","","","","","1.125","","","","has coordinates,has disorder","229116","2020-10-21","18:00:00",""
"7231386","19.582","0.0011","20.1291","0.0007","12.0113","0.0004","90","","90","","90","","4734.5","0.4","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","tetra(isonicotinato)-di(N,N-dimethylacetamide)-(aqua)-(?3-hydroxo)-tri-cobalt(ii)","","- C32 H37 Cl Co3 N6 O16 -","- C32 H37 Cl Co3 N6 O16 -","- C128 H148 Cl4 Co12 N24 O64 -","4","0.5","","Zhou, Lei; Zhou, Baolei; Cui, Zheng; Qin, Bowen; Zhang, Xiaoying; Li, Wenliang; Zhang, Jingping","Charge control of the formation of two neutral/cationic metal‒organic frameworks based on neutral/cationic triangular clusters and isonicotinic acid: structure, gas adsorption and magnetism","CrystEngComm","2018","20","36","5402","","10.1039/C8CE00997J","","","0.71073","MoKα","","0.0959","0.0786","","","0.2223","0.2356","","","","","","1.061","","","","has coordinates,has disorder","229116","2020-10-21","18:00:00",""
"7231387","5.8605","0.0004","13.6144","0.0009","19.3605","0.0014","90","","105.582","0.003","90","","1487.95","0.18","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H18 Co N2 O9 P -","- C9 H18 Co N2 O9 P -","- C36 H72 Co4 N8 O36 P4 -","4","1","","Gao, Fan; Huang, Liangliang; Xiu, Zhijia; Yin, Yanzhen; Ma, Yike; Bi, Yanfeng; Zheng, Zhiping","Solvent-free synthesis and room temperature proton conductivity of new cobalt phosphite‒oxalates","CrystEngComm","2018","20","37","5544","","10.1039/C8CE01198B","","","0.71073","MoKα","","0.1058","0.0845","","","0.1963","0.2057","","","","","","1.058","","","","has coordinates","228908","2020-10-21","18:00:00",""
"7231388","15.3007","0.0009","8.2832","0.0005","16.2601","0.001","90","","113.487","0.002","90","","1890","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H20 Co2 N2 O14 P2 -","- C10 H20 Co2 N2 O14 P2 -","- C40 H80 Co8 N8 O56 P8 -","4","1","","Gao, Fan; Huang, Liangliang; Xiu, Zhijia; Yin, Yanzhen; Ma, Yike; Bi, Yanfeng; Zheng, Zhiping","Solvent-free synthesis and room temperature proton conductivity of new cobalt phosphite‒oxalates","CrystEngComm","2018","20","37","5544","","10.1039/C8CE01198B","","","0.71073","MoKα","","0.0565","0.0377","","","0.081","0.0876","","","","","","1.006","","","","has coordinates","228908","2020-10-21","18:00:00",""
"7231390","26.685","0.005","4.809","0.001","36.125","0.007","90","","107.56","0.03","90","","4419.8","1.7","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C32 H55 Cl2 N7 O16 -","- C32 H41 Cl2 N7 O16 -","- C128 H164 Cl8 N28 O64 -","4","1","","Pizzi, Andrea; Demitri, Nicola; Terraneo, Giancarlo; Metrangolo, Pierangelo","Halogen bonding at the wet interfaces of an amyloid peptide structure","CrystEngComm","2018","20","36","5321","","10.1039/C8CE01205A","","","0.8","Synchrotron","","0.2381","0.142","","","0.2954","0.3499","","","","","","1.136","","","","has coordinates,has disorder","229118","2020-10-21","18:00:00",""
"7231391","28.206","0.006","4.803","0.001","35.888","0.007","90","","97.44","0.03","90","","4820.9","1.7","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C32 H64 I2 N7 O20.5 -","- C32 H41 I2 N7 O20.5 -","- C128 H164 I8 N28 O82 -","4","1","","Pizzi, Andrea; Demitri, Nicola; Terraneo, Giancarlo; Metrangolo, Pierangelo","Halogen bonding at the wet interfaces of an amyloid peptide structure","CrystEngComm","2018","20","36","5321","","10.1039/C8CE01205A","","","0.7","Synchrotron","","0.096","0.0714","","","0.1751","0.1904","","","","","","1.026","","","","has coordinates,has disorder","229118","2020-10-21","18:00:00",""
"7231396","13.407","0.006","20.998","0.009","13.171","0.006","90","","104.296","0.006","90","","3593","3","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H52 Cu4 N12 O60 Si W12 -","- C20 H16 Cu4 N12 O51 Si W12 -","- C40 H32 Cu8 N24 O102 Si2 W24 -","2","0.5","","Luo, Yu-Hui; Yi, Li-Qiang; Lu, Jia-Ni; Dong, Long-Zhang; Lan, Ya-Qian","A stable polyoxometalate-based porous coordination polymer with high proton conductivity","CrystEngComm","2018","20","39","6077","","10.1039/C8CE00693H","","","0.71073","MoKα","","0.1333","0.0802","","","0.1763","0.1984","","","","","","1.035","","","","has coordinates,has disorder","228975","2020-10-21","18:00:00",""
"7231397","33.908","0.002","17.5051","0.0013","15.7559","0.0013","90","","115.591","0.005","90","","8434.7","1.1","100","2","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-[(2,4,6-tri(pyridin-2-yl)-1,3,5-triazine)-(μ~5~-hydrogen benzene-1,3,5-tris(4-benzoato))]-zinc(II)-N,N'-dimethylformamide solvate]","","- C48 H35 N7 O7 Zn -","- C48 H35 N7 O7 Zn -","- C384 H280 N56 O56 Zn8 -","8","1","","Sensharma, Debobroto; Wix, Paul; Kathalikkattil, Amal Cherian; Schmitt, Wolfgang","Passing it up the ranks: hierarchical ion-size dependent supramolecular response in 1D coordination polymers","CrystEngComm","2018","20","35","5127","","10.1039/C8CE01211C","","","1.54178","CuKα","","0.0829","0.0623","","","0.1664","0.1826","","","","","","1.029","","","","has coordinates,has disorder","229124","2020-10-21","18:00:00",""
"7231398","16.2604","0.0006","17.381","0.0006","30.3417","0.001","90","","101.28","0.002","90","","8409.6","0.5","100","2","99.99","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","catena-[(2,4,6-tri(pyridin-2-yl)-1,3,5-triazine)-(μ~5~-hydrogen benzene-1,3,5-tris(4-benzoato))]-manganese(II)-N,N'-dimethylformamide solvate]","","- C48.75 H36.75 Mn N7.25 O7.25 -","- C48.75 H36.75 Mn N7.25 O7.25 -","- C390 H294 Mn8 N58 O58 -","8","2","","Sensharma, Debobroto; Wix, Paul; Kathalikkattil, Amal Cherian; Schmitt, Wolfgang","Passing it up the ranks: hierarchical ion-size dependent supramolecular response in 1D coordination polymers","CrystEngComm","2018","20","35","5127","","10.1039/C8CE01211C","","","1.54178","CuKα","","0.0781","0.0636","","","0.1723","0.1847","","","","","","1.029","","","","has coordinates,has disorder","229124","2020-10-21","18:00:00",""
"7231399","34.7205","0.0018","17.3089","0.0006","15.8202","0.0007","90","","115.923","0.002","90","","8550.9","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C47.1 H32.9 N6.7 Ni O6.7 -","- C45 H28 N6 Ni O6 -","- C360 H224 N48 Ni8 O48 -","8","1","","Sensharma, Debobroto; Wix, Paul; Kathalikkattil, Amal Cherian; Schmitt, Wolfgang","Passing it up the ranks: hierarchical ion-size dependent supramolecular response in 1D coordination polymers","CrystEngComm","2018","20","35","5127","","10.1039/C8CE01211C","","x-ray","1.54178","CuKα","","0.1612","0.0996","","","0.2742","0.3409","","","","","","1.045","","","","has coordinates,has disorder","229124","2020-10-21","18:00:00",""
"7231400","16.281","0.003","17.516","0.003","30.291","0.004","90","","100.546","0.003","90","","8492","2","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C48 H35 Cd N7 O7 -","- C48 H35 Cd N7 O7 -","- C384 H280 Cd8 N56 O56 -","8","2","","Sensharma, Debobroto; Wix, Paul; Kathalikkattil, Amal Cherian; Schmitt, Wolfgang","Passing it up the ranks: hierarchical ion-size dependent supramolecular response in 1D coordination polymers","CrystEngComm","2018","20","35","5127","","10.1039/C8CE01211C","","x-ray","0.71073","MoKα","","0.1881","0.1267","","","0.251","0.2798","","","","","","1.185","","","","has coordinates,has disorder","229124","2020-10-21","18:00:00",""
"7231401","11.52","0.004","12.109","0.004","12.548","0.003","112.79","0.02","100.47","0.03","102.1","0.02","1509.3","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H22 F9 O15 Rb3 S3 -","- C13 H22 F9 O15 Rb3 S3 -","- C26 H44 F18 O30 Rb6 S6 -","2","1","","Dankert, Fabian; Heine, Johanna; Rienmüller, Julia; von Hänisch, Carsten","Sila-polyethers as innocent crystallization reagents for heavy alkali metal compounds","CrystEngComm","2018","20","36","5370","","10.1039/C8CE01097H","","","0.71073","MoKα","","0.0481","0.0328","","","0.0778","0.0818","","","","","","1.001","","","","has coordinates","229117","2020-10-21","18:00:00",""
"7231436","15.9161","0.0015","9.2678","0.0008","17.748","0.0016","90","","116.527","0.003","90","","2342.4","0.4","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Co0.75 Eu Fe0.25 N8 O7 -","- C16 H20 Co0.75 Eu Fe0.25 N8 O7 -","- C64 H80 Co3 Eu4 Fe N32 O28 -","4","0.5","","Chorazy, Szymon; Zakrzewski, Jakub J.; Wang, Junhao; Ohkoshi, Shin-ichi; Sieklucka, Barbara","Incorporation of hexacyanidoferrate(iii) ion in photoluminescent trimetallic Eu(3-pyridone)[Co1−xFex(CN)6] chains exhibiting tunable visible light absorption and emission properties","CrystEngComm","2018","20","38","5695","","10.1039/C8CE01020J","","x-ray","0.71073","MoKα","","0.0171","0.015","","","0.0346","0.0351","","","","","","1.094","","","","has coordinates","229150","2020-10-21","18:00:00",""
"7231437","15.9157","0.0005","9.2572","0.0003","17.735","0.0006","90","","116.547","0.001","90","","2337.49","0.13","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Co Eu N8 O7 -","- C16 H20 Co Eu N8 O7 -","- C64 H80 Co4 Eu4 N32 O28 -","4","0.5","","Chorazy, Szymon; Zakrzewski, Jakub J.; Wang, Junhao; Ohkoshi, Shin-ichi; Sieklucka, Barbara","Incorporation of hexacyanidoferrate(iii) ion in photoluminescent trimetallic Eu(3-pyridone)[Co1−xFex(CN)6] chains exhibiting tunable visible light absorption and emission properties","CrystEngComm","2018","20","38","5695","","10.1039/C8CE01020J","","x-ray","0.71073","MoKα","","0.0188","0.0168","","","0.0497","0.0503","","","","","","1.243","","","","has coordinates","229150","2020-10-21","18:00:00",""
"7231438","15.914","0.002","9.2658","0.0011","17.8","0.002","90","","116.489","0.005","90","","2349.2","0.5","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Co0.25 Eu Fe0.75 N8 O7 -","- C16 H20 Co0.25 Eu Fe0.75 N8 O7 -","- C64 H80 Co Eu4 Fe3 N32 O28 -","4","0.5","","Chorazy, Szymon; Zakrzewski, Jakub J.; Wang, Junhao; Ohkoshi, Shin-ichi; Sieklucka, Barbara","Incorporation of hexacyanidoferrate(iii) ion in photoluminescent trimetallic Eu(3-pyridone)[Co1−xFex(CN)6] chains exhibiting tunable visible light absorption and emission properties","CrystEngComm","2018","20","38","5695","","10.1039/C8CE01020J","","x-ray","0.71073","MoKα","","0.0226","0.0193","","","0.0454","0.0465","","","","","","1.07","","","","has coordinates","229150","2020-10-21","18:00:00",""
"7231439","15.869","0.004","9.274","0.003","17.72","0.007","90","","116.259","0.01","90","","2338.7","1.3","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Co0.97 Eu Fe0.03 N8 O7 -","- C16 H20 Co0.97 Eu Fe0.03 N8 O7 -","- C64 H80 Co3.88 Eu4 Fe0.12 N32 O28 -","4","0.5","","Chorazy, Szymon; Zakrzewski, Jakub J.; Wang, Junhao; Ohkoshi, Shin-ichi; Sieklucka, Barbara","Incorporation of hexacyanidoferrate(iii) ion in photoluminescent trimetallic Eu(3-pyridone)[Co1−xFex(CN)6] chains exhibiting tunable visible light absorption and emission properties","CrystEngComm","2018","20","38","5695","","10.1039/C8CE01020J","","x-ray","0.71073","MoKα","","0.028","0.0271","","","0.0746","0.0751","","","","","","1.348","","","","has coordinates","229150","2020-10-21","18:00:00",""
"7231440","15.922","0.003","9.2557","0.0015","17.732","0.003","90","","116.446","0.006","90","","2339.7","0.7","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Co0.94 Eu Fe0.06 N8 O7 -","- C16 H20 Co0.94 Eu Fe0.06 N8 O7 -","- C64 H80 Co3.76 Eu4 Fe0.24 N32 O28 -","4","0.5","","Chorazy, Szymon; Zakrzewski, Jakub J.; Wang, Junhao; Ohkoshi, Shin-ichi; Sieklucka, Barbara","Incorporation of hexacyanidoferrate(iii) ion in photoluminescent trimetallic Eu(3-pyridone)[Co1−xFex(CN)6] chains exhibiting tunable visible light absorption and emission properties","CrystEngComm","2018","20","38","5695","","10.1039/C8CE01020J","","x-ray","0.71073","MoKα","","0.0197","0.0172","","","0.0421","0.043","","","","","","1.028","","","","has coordinates","229150","2020-10-21","18:00:00",""
"7231441","15.9088","0.001","9.2677","0.0006","17.7418","0.0016","90","","116.514","0.002","90","","2340.7","0.3","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Co0.85 Eu Fe0.15 N8 O7 -","- C16 H20 Co0.85 Eu Fe0.15 N8 O7 -","- C64 H80 Co3.4 Eu4 Fe0.6 N32 O28 -","4","0.5","","Chorazy, Szymon; Zakrzewski, Jakub J.; Wang, Junhao; Ohkoshi, Shin-ichi; Sieklucka, Barbara","Incorporation of hexacyanidoferrate(iii) ion in photoluminescent trimetallic Eu(3-pyridone)[Co1−xFex(CN)6] chains exhibiting tunable visible light absorption and emission properties","CrystEngComm","2018","20","38","5695","","10.1039/C8CE01020J","","x-ray","0.71073","MoKα","","0.0196","0.017","","","0.043","0.0438","","","","","","1.1","","","","has coordinates","229150","2020-10-21","18:00:00",""
"7231442","15.9155","0.0018","9.2628","0.0011","17.822","0.002","90","","116.366","0.003","90","","2354","0.5","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Eu Fe N8 O7 -","- C16 H20 Eu Fe N8 O7 -","- C64 H80 Eu4 Fe4 N32 O28 -","4","0.5","","Chorazy, Szymon; Zakrzewski, Jakub J.; Wang, Junhao; Ohkoshi, Shin-ichi; Sieklucka, Barbara","Incorporation of hexacyanidoferrate(iii) ion in photoluminescent trimetallic Eu(3-pyridone)[Co1−xFex(CN)6] chains exhibiting tunable visible light absorption and emission properties","CrystEngComm","2018","20","38","5695","","10.1039/C8CE01020J","","x-ray","0.71073","MoKα","","0.0254","0.0181","","","0.0553","0.1044","","","","","","1.475","","","","has coordinates","229150","2020-10-21","18:00:00",""
"7231443","15.9056","0.0018","9.258","0.0011","17.746","0.002","90","","116.54","0.004","90","","2337.8","0.5","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Co0.88 Eu Fe0.12 N8 O7 -","- C16 H20 Co0.88 Eu Fe0.12 N8 O7 -","- C64 H80 Co3.52 Eu4 Fe0.48 N32 O28 -","4","0.5","","Chorazy, Szymon; Zakrzewski, Jakub J.; Wang, Junhao; Ohkoshi, Shin-ichi; Sieklucka, Barbara","Incorporation of hexacyanidoferrate(iii) ion in photoluminescent trimetallic Eu(3-pyridone)[Co1−xFex(CN)6] chains exhibiting tunable visible light absorption and emission properties","CrystEngComm","2018","20","38","5695","","10.1039/C8CE01020J","","x-ray","0.71073","MoKα","","0.0183","0.0157","","","0.0381","0.039","","","","","","1.013","","","","has coordinates","229150","2020-10-21","18:00:00",""
"7231444","15.9139","0.0007","9.2609","0.0004","17.7694","0.0008","90","","116.419","0.001","90","","2345.31","0.18","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Co0.5 Eu Fe0.5 N8 O7 -","- C16 H20 Co0.5 Eu Fe0.5 N8 O7 -","- C64 H80 Co2 Eu4 Fe2 N32 O28 -","4","0.5","","Chorazy, Szymon; Zakrzewski, Jakub J.; Wang, Junhao; Ohkoshi, Shin-ichi; Sieklucka, Barbara","Incorporation of hexacyanidoferrate(iii) ion in photoluminescent trimetallic Eu(3-pyridone)[Co1−xFex(CN)6] chains exhibiting tunable visible light absorption and emission properties","CrystEngComm","2018","20","38","5695","","10.1039/C8CE01020J","","x-ray","0.71073","MoKα","","0.0172","0.0156","","","0.0372","0.0377","","","","","","1.117","","","","has coordinates","229150","2020-10-21","18:00:00",""
"7231445","15.907","0.003","9.268","0.002","17.718","0.004","90","","116.505","0.004","90","","2337.6","0.9","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Co0.91 Eu Fe0.09 N8 O7 -","- C16 H20 Co0.91 Eu Fe0.09 N8 O7 -","- C64 H80 Co3.64 Eu4 Fe0.36 N32 O28 -","4","0.5","","Chorazy, Szymon; Zakrzewski, Jakub J.; Wang, Junhao; Ohkoshi, Shin-ichi; Sieklucka, Barbara","Incorporation of hexacyanidoferrate(iii) ion in photoluminescent trimetallic Eu(3-pyridone)[Co1−xFex(CN)6] chains exhibiting tunable visible light absorption and emission properties","CrystEngComm","2018","20","38","5695","","10.1039/C8CE01020J","","x-ray","0.71073","MoKα","","0.0172","0.0155","","","0.0386","0.0394","","","","","","1.026","","","","has coordinates","229150","2020-10-21","18:00:00",""
"7231446","8.7461","0.0003","10.7477","0.0005","13.2654","0.0006","83.381","0.004","75.005","0.004","69.554","0.004","1128.19","0.09","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H16 Cd N4 O4 S -","- C26 H16 Cd N4 O4 S -","- C52 H32 Cd2 N8 O8 S2 -","2","1","","Huang, Jia; Zhang, Jie; He, Runhua; Fu, Zhiyong","Structure of a Cd(ii) mixed-ligand coordination polymer: single crystalline conductance switch involving photoinduced electron transfer and photocoloration","CrystEngComm","2018","20","38","5663","","10.1039/C8CE01251B","","","0.71073","MoKα","","0.052","0.0486","","","0.1062","0.1079","","","","","","1.081","","","","has coordinates","229149","2020-10-21","18:00:00",""
"7231456","15.055","0.0007","5.2838","0.0002","11.1874","0.0005","90","","111.335","0.003","90","","828.94","0.06","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H8 Br2 F4 N2 -","- C18 H8 Br2 F4 N2 -","- C36 H16 Br4 F8 N4 -","2","0.5","","Hutchins, Kristin M.; Unruh, Daniel K.; Carpenter, Dontrell D.; Groeneman, Ryan H.","Thermal expansion along one-dimensional chains and two-dimensional sheets within co-crystals based on halogen or hydrogen bonds","CrystEngComm","2018","20","45","7232","","10.1039/C8CE01090K","","","0.71073","MoKα","","0.0451","0.0277","","","0.0496","0.0523","","","","","","0.89","","","","has coordinates","229133","2020-10-21","18:00:00",""
"7231457","15.0878","0.0005","5.2804","0.0002","11.2408","0.0004","90","","111.346","0.002","90","","834.11","0.05","229","2","229","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H8 Br2 F4 N2 -","- C18 H8 Br2 F4 N2 -","- C36 H16 Br4 F8 N4 -","2","0.5","","Hutchins, Kristin M.; Unruh, Daniel K.; Carpenter, Dontrell D.; Groeneman, Ryan H.","Thermal expansion along one-dimensional chains and two-dimensional sheets within co-crystals based on halogen or hydrogen bonds","CrystEngComm","2018","20","45","7232","","10.1039/C8CE01090K","","","0.71073","MoKα","","0.0504","0.0295","","","0.0499","0.053","","","","","","0.869","","","","has coordinates","229133","2020-10-21","18:00:00",""
"7231458","15.1069","0.0005","5.2772","0.0002","11.2674","0.0004","90","","111.344","0.002","90","","836.65","0.05","249","2","249","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H8 Br2 F4 N2 -","- C18 H8 Br2 F4 N2 -","- C36 H16 Br4 F8 N4 -","2","0.5","","Hutchins, Kristin M.; Unruh, Daniel K.; Carpenter, Dontrell D.; Groeneman, Ryan H.","Thermal expansion along one-dimensional chains and two-dimensional sheets within co-crystals based on halogen or hydrogen bonds","CrystEngComm","2018","20","45","7232","","10.1039/C8CE01090K","","","0.71073","MoKα","","0.0498","0.0294","","","0.0584","0.0641","","","","","","1.024","","","","has coordinates","229133","2020-10-21","18:00:00",""
"7231459","15.0775","0.0009","5.2848","0.0003","11.2151","0.0007","90","","111.405","0.004","90","","832","0.09","209","2","209","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H8 Br2 F4 N2 -","- C18 H8 Br2 F4 N2 -","- C36 H16 Br4 F8 N4 -","2","0.5","","Hutchins, Kristin M.; Unruh, Daniel K.; Carpenter, Dontrell D.; Groeneman, Ryan H.","Thermal expansion along one-dimensional chains and two-dimensional sheets within co-crystals based on halogen or hydrogen bonds","CrystEngComm","2018","20","45","7232","","10.1039/C8CE01090K","","","0.71073","MoKα","","0.0462","0.0277","","","0.0493","0.052","","","","","","0.87","","","","has coordinates","229133","2020-10-21","18:00:00",""
"7231460","15.1283","0.0005","5.2745","0.0001","11.2948","0.0004","90","","111.348","0.002","90","","839.42","0.05","269","2","269","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H8 Br2 F4 N2 -","- C18 H8 Br2 F4 N2 -","- C36 H16 Br4 F8 N4 -","2","0.5","","Hutchins, Kristin M.; Unruh, Daniel K.; Carpenter, Dontrell D.; Groeneman, Ryan H.","Thermal expansion along one-dimensional chains and two-dimensional sheets within co-crystals based on halogen or hydrogen bonds","CrystEngComm","2018","20","45","7232","","10.1039/C8CE01090K","","","0.71073","MoKα","","0.0534","0.0303","","","0.0596","0.0664","","","","","","1.02","","","","has coordinates","229133","2020-10-21","18:00:00",""
"7231461","15.6409","0.0008","5.2384","0.0003","11.0229","0.0005","90","","90","","90","","903.14","0.08","191","2","191","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C18 H8 F4 I2 N2 -","- C18 H8 F4 I2 N2 -","- C36 H16 F8 I4 N4 -","2","0.25","","Hutchins, Kristin M.; Unruh, Daniel K.; Carpenter, Dontrell D.; Groeneman, Ryan H.","Thermal expansion along one-dimensional chains and two-dimensional sheets within co-crystals based on halogen or hydrogen bonds","CrystEngComm","2018","20","45","7232","","10.1039/C8CE01090K","","","0.71073","MoKα","","0.0328","0.0309","","","0.0748","0.0758","","","","","","1.085","","","","has coordinates","229133","2020-10-21","18:00:00",""
"7231462","15.6537","0.0005","5.2381","0.0002","11.0524","0.0003","90","","90","","90","","906.25","0.05","211","2","211","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C18 H8 F4 I2 N2 -","- C18 H8 F4 I2 N2 -","- C36 H16 F8 I4 N4 -","2","0.25","","Hutchins, Kristin M.; Unruh, Daniel K.; Carpenter, Dontrell D.; Groeneman, Ryan H.","Thermal expansion along one-dimensional chains and two-dimensional sheets within co-crystals based on halogen or hydrogen bonds","CrystEngComm","2018","20","45","7232","","10.1039/C8CE01090K","","","0.71073","MoKα","","0.0185","0.0166","","","0.0406","0.0415","","","","","","1.131","","","","has coordinates","229133","2020-10-21","18:00:00",""
"7231463","15.6966","0.0009","5.2398","0.0003","11.1314","0.0006","90","","90","","90","","915.52","0.09","276","2","276","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C18 H8 F4 I2 N2 -","- C18 H8 F4 I2 N2 -","- C36 H16 F8 I4 N4 -","2","0.25","","Hutchins, Kristin M.; Unruh, Daniel K.; Carpenter, Dontrell D.; Groeneman, Ryan H.","Thermal expansion along one-dimensional chains and two-dimensional sheets within co-crystals based on halogen or hydrogen bonds","CrystEngComm","2018","20","45","7232","","10.1039/C8CE01090K","","","0.71073","MoKα","","0.0208","0.0182","","","0.0448","0.0461","","","","","","1.115","","","","has coordinates","229133","2020-10-21","18:00:00",""
"7231464","3.9366","0.0003","13.2445","0.001","18.2177","0.0016","72.763","0.002","85.794","0.002","83.955","0.002","901.25","0.13","209","2","209","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H10 Br4 N2 -","- C18 H10 Br4 N2 -","- C36 H20 Br8 N4 -","2","1","","Hutchins, Kristin M.; Unruh, Daniel K.; Carpenter, Dontrell D.; Groeneman, Ryan H.","Thermal expansion along one-dimensional chains and two-dimensional sheets within co-crystals based on halogen or hydrogen bonds","CrystEngComm","2018","20","45","7232","","10.1039/C8CE01090K","","","0.71073","MoKα","","0.0664","0.0527","","","0.1264","0.1303","","","","","","0.994","","","","has coordinates","229133","2020-10-21","18:00:00",""
"7231465","3.9272","0.0003","13.2313","0.0011","18.2212","0.0016","72.682","0.002","85.789","0.002","83.9","0.002","897.9","0.13","189","2","189","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H10 Br4 N2 -","- C18 H10 Br4 N2 -","- C36 H20 Br8 N4 -","2","1","","Hutchins, Kristin M.; Unruh, Daniel K.; Carpenter, Dontrell D.; Groeneman, Ryan H.","Thermal expansion along one-dimensional chains and two-dimensional sheets within co-crystals based on halogen or hydrogen bonds","CrystEngComm","2018","20","45","7232","","10.1039/C8CE01090K","","","0.71073","MoKα","","0.0625","0.0507","","","0.1258","0.1298","","","","","","0.965","","","","has coordinates","229133","2020-10-21","18:00:00",""
"7231466","3.9684","0.0004","13.277","0.0014","18.217","0.002","73.014","0.003","85.807","0.003","84.125","0.003","912.19","0.17","269","2","269","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H10 Br4 N2 -","- C18 H10 Br4 N2 -","- C36 H20 Br8 N4 -","2","1","","Hutchins, Kristin M.; Unruh, Daniel K.; Carpenter, Dontrell D.; Groeneman, Ryan H.","Thermal expansion along one-dimensional chains and two-dimensional sheets within co-crystals based on halogen or hydrogen bonds","CrystEngComm","2018","20","45","7232","","10.1039/C8CE01090K","","","0.71073","MoKα","","0.0516","0.032","","","0.0678","0.074","","","","","","1.02","","","","has coordinates","229133","2020-10-21","18:00:00",""
"7231467","3.9578","0.0003","13.2665","0.0011","18.2186","0.0018","72.926","0.003","85.798","0.003","84.065","0.002","908.6","0.14","249","2","249","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H10 Br4 N2 -","- C18 H10 Br4 N2 -","- C36 H20 Br8 N4 -","2","1","","Hutchins, Kristin M.; Unruh, Daniel K.; Carpenter, Dontrell D.; Groeneman, Ryan H.","Thermal expansion along one-dimensional chains and two-dimensional sheets within co-crystals based on halogen or hydrogen bonds","CrystEngComm","2018","20","45","7232","","10.1039/C8CE01090K","","","0.71073","MoKα","","0.047","0.0305","","","0.0662","0.0715","","","","","","1.006","","","","has coordinates","229133","2020-10-21","18:00:00",""
"7231468","15.686","0.0007","5.2395","0.0002","11.1083","0.0005","90","","90","","90","","912.96","0.07","256","2","256","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C18 H8 F4 I2 N2 -","- C18 H8 F4 I2 N2 -","- C36 H16 F8 I4 N4 -","2","0.25","","Hutchins, Kristin M.; Unruh, Daniel K.; Carpenter, Dontrell D.; Groeneman, Ryan H.","Thermal expansion along one-dimensional chains and two-dimensional sheets within co-crystals based on halogen or hydrogen bonds","CrystEngComm","2018","20","45","7232","","10.1039/C8CE01090K","","","0.71073","MoKα","","0.02","0.0178","","","0.0422","0.0431","","","","","","1.12","","","","has coordinates","229133","2020-10-21","18:00:00",""
"7231469","15.6785","0.0006","5.2396","0.0002","11.086","0.0004","90","","90","","90","","910.7","0.06","231","2","231","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C18 H8 F4 I2 N2 -","- C18 H8 F4 I2 N2 -","- C36 H16 F8 I4 N4 -","2","0.25","","Hutchins, Kristin M.; Unruh, Daniel K.; Carpenter, Dontrell D.; Groeneman, Ryan H.","Thermal expansion along one-dimensional chains and two-dimensional sheets within co-crystals based on halogen or hydrogen bonds","CrystEngComm","2018","20","45","7232","","10.1039/C8CE01090K","","","0.71073","MoKα","","0.0191","0.0174","","","0.0428","0.0435","","","","","","1.125","","","","has coordinates","229133","2020-10-21","18:00:00",""
"7231470","3.9472","0.0003","13.2528","0.001","18.2138","0.0015","72.838","0.002","85.776","0.002","83.982","0.002","904.43","0.12","229","2","229","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H10 Br4 N2 -","- C18 H10 Br4 N2 -","- C36 H20 Br8 N4 -","2","1","","Hutchins, Kristin M.; Unruh, Daniel K.; Carpenter, Dontrell D.; Groeneman, Ryan H.","Thermal expansion along one-dimensional chains and two-dimensional sheets within co-crystals based on halogen or hydrogen bonds","CrystEngComm","2018","20","45","7232","","10.1039/C8CE01090K","","","0.71073","MoKα","","0.0701","0.053","","","0.1277","0.1329","","","","","","0.966","","","","has coordinates","229133","2020-10-21","18:00:00",""
"7231477","9.1398","0.0018","11.737","0.002","19.444","0.005","90","","117.68","0.02","90","","1847.1","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H22 Cl6 Cu N2 -","- C8 H22 Cl6 Cu N2 -","- C32 H88 Cl24 Cu4 N8 -","4","1","","Mei, Ying-Xuan; Hua, Xiu-Ni; Gao, Ji-Xing; Liao, Wei-Qiang","Switchable dielectric phase transition behaviors in two organic‒inorganic copper(ii) halides with distinct coordination geometries","CrystEngComm","2018","20","40","6261","","10.1039/C8CE01263F","","","0.71073","MoKα","","0.1806","0.0697","","","0.1338","0.1789","","","","","","1.026","","","","has coordinates","229051","2020-10-21","18:00:00",""
"7231478","6.3887","0.0013","8.7893","0.0018","9.6997","0.0019","66.57","0.03","82.91","0.03","79","0.03","489.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H11 Cl4 Cu N -","- C4 H11 Cl4 Cu N -","- C8 H22 Cl8 Cu2 N2 -","2","1","","Mei, Ying-Xuan; Hua, Xiu-Ni; Gao, Ji-Xing; Liao, Wei-Qiang","Switchable dielectric phase transition behaviors in two organic‒inorganic copper(ii) halides with distinct coordination geometries","CrystEngComm","2018","20","40","6261","","10.1039/C8CE01263F","","","0.71073","MoKα","","0.0236","0.0211","","","0.0502","0.0511","","","","","","1.083","","","","has coordinates","229051","2020-10-21","18:00:00",""
"7231479","6.411","0.0008","8.835","","9.7295","0.0002","66.616","0.013","82.87","0.02","79.14","0.02","496.02","0.08","343","2","343","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H11 Cl4 Cu N -","- C4 H11 Cl4 Cu N -","- C8 H22 Cl8 Cu2 N2 -","2","1","","Mei, Ying-Xuan; Hua, Xiu-Ni; Gao, Ji-Xing; Liao, Wei-Qiang","Switchable dielectric phase transition behaviors in two organic‒inorganic copper(ii) halides with distinct coordination geometries","CrystEngComm","2018","20","40","6261","","10.1039/C8CE01263F","","","0.71073","MoKα","","0.0389","0.0291","","","0.0561","0.0587","","","","","","0.992","","","","has coordinates","229051","2020-10-21","18:00:00",""
"7231480","8.0685","0.0004","11.3449","0.0004","11.37","0.0005","66.307","0.004","75.977","0.004","72.054","0.004","898.25","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H24 Cd3 Cl6 N2 O10 -","- C30 H26 Cd3 Cl6 N2 O10 -","- C30 H26 Cd3 Cl6 N2 O10 -","1","0.5","","Li, Lin-Ke; Li, Hai-Yang; Li, Ting; Quan, Li-Hong; Xu, Jing; Li, Fu-An; Zang, Shuang-Quan","Photochromic and photomodulated luminescence properties of two metal‒viologen complexes constructed by a tetracarboxylate-anchored bipyridinium-based ligand","CrystEngComm","2018","20","41","6412","","10.1039/C8CE01335G","","","0.71073","MoKα","","0.0394","0.0321","","","0.0803","0.086","","","","","","1.052","","","","has coordinates","228922","2020-10-21","18:00:00",""
"7231481","8.0365","0.0004","9.909","0.0007","12.1201","0.0008","94.619","0.006","95.775","0.005","94.636","0.005","953.29","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C2.91 H2.36 Eu0.18 N0.55 O2.18 -","- C2.90909 H2.36364 Eu0.181818 N0.545455 O2.18182 -","- C32 H26 Eu2 N6 O24 -","11","5.5","","Li, Lin-Ke; Li, Hai-Yang; Li, Ting; Quan, Li-Hong; Xu, Jing; Li, Fu-An; Zang, Shuang-Quan","Photochromic and photomodulated luminescence properties of two metal‒viologen complexes constructed by a tetracarboxylate-anchored bipyridinium-based ligand","CrystEngComm","2018","20","41","6412","","10.1039/C8CE01335G","","","0.71073","MoKα","","0.0895","0.0689","","","0.1663","0.2144","","","","","","1.093","","","","has coordinates","228922","2020-10-21","18:00:00",""
"7231488","18.1126","0.0009","18.1126","0.0009","46.624","0.004","90","","90","","120","","13246.5","1.5","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C14 H12 Co N O6.5 -","- C14 H9 Co N O5 -","- C504 H324 Co36 N36 O180 -","36","1","","He, Yuan-Chun; Yu, Yang; Wang, Lingyan; Yang, Jiaqin; Kan, Wei-Qiu; Yang, Yan; Fan, Yao-Yao; Jing, Zhihong; You, Jinmao","A novel metal‒organic framework based on hexanuclear Co(ii) clusters as an anode material for lithium-ion batteries","CrystEngComm","2018","20","37","5576","","10.1039/C8CE01039K","","","0.71073","MoKα","","0.0945","0.0661","","","0.1577","0.1737","","","","","","1.045","","","","has coordinates,has disorder","228907","2020-10-21","18:00:00",""
"7231489","7.838","0.002","10.632","0.003","10.783","0.003","114.411","0.004","94.739","0.005","104.111","0.005","776.3","0.4","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H18 Co3 N2 O17 -","- C28 H18 Co3 N2 O17 -","- C28 H18 Co3 N2 O17 -","1","0.5","","Bai, Nannan; Gao, Ruicheng; Wang, Haihua; Wu, Yunlong; Hou, Lei; Wang, Yao-Yu","Five transition metal coordination polymers driven by a semirigid trifunctional nicotinic acid ligand: selective adsorption and magnetic properties","CrystEngComm","2018","20","38","5726","","10.1039/C8CE01003J","","","0.71073","MoKα","","0.0794","0.0637","","","0.1998","0.2501","","","","","","1.129","","","","has coordinates","229151","2020-10-21","18:00:00",""
"7231490","21.331","0.005","7.9294","0.0019","26.114","0.006","90","","90","","90","","4417","1.8","296.15","","296.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H15 Cd N3 O7 -","- C24 H15 Cd N3 O7 -","- C192 H120 Cd8 N24 O56 -","8","1","","Bai, Nannan; Gao, Ruicheng; Wang, Haihua; Wu, Yunlong; Hou, Lei; Wang, Yao-Yu","Five transition metal coordination polymers driven by a semirigid trifunctional nicotinic acid ligand: selective adsorption and magnetic properties","CrystEngComm","2018","20","38","5726","","10.1039/C8CE01003J","","","0.71073","MoKα","","0.1114","0.0495","","","0.086","0.106","","","","","","0.985","","","","has coordinates","229151","2020-10-21","18:00:00",""
"7231491","7.5476","0.0013","11.701","0.002","14.477","0.003","109.368","0.003","100.819","0.003","102.451","0.003","1130.2","0.4","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 Co N3 O9 -","- C24 H18 Co N3 O9 -","- C48 H36 Co2 N6 O18 -","2","1","","Bai, Nannan; Gao, Ruicheng; Wang, Haihua; Wu, Yunlong; Hou, Lei; Wang, Yao-Yu","Five transition metal coordination polymers driven by a semirigid trifunctional nicotinic acid ligand: selective adsorption and magnetic properties","CrystEngComm","2018","20","38","5726","","10.1039/C8CE01003J","","","0.71073","MoKα","","0.0922","0.069","","","0.195","0.2775","","","","","","1.166","","","","has coordinates","229151","2020-10-21","18:00:00",""
"7231492","13.39","0.008","9.643","0.006","15.34","0.01","90","","99.263","0.012","90","","1955","2","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 Cu N2 O8 -","- C19 H16 Cu N2 O8 -","- C76 H64 Cu4 N8 O32 -","4","1","","Bai, Nannan; Gao, Ruicheng; Wang, Haihua; Wu, Yunlong; Hou, Lei; Wang, Yao-Yu","Five transition metal coordination polymers driven by a semirigid trifunctional nicotinic acid ligand: selective adsorption and magnetic properties","CrystEngComm","2018","20","38","5726","","10.1039/C8CE01003J","","","0.71073","MoKα","","0.1472","0.0681","","","0.1546","0.2017","","","","","","0.973","","","","has coordinates","229151","2020-10-21","18:00:00",""
"7231493","31.709","0.009","7.843","0.002","21.873","0.006","90","","131.327","0.004","90","","4084.9","1.9","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H30 Cd3 N4 O16 -","- C38 H30 Cd3 N4 O16 -","- C152 H120 Cd12 N16 O64 -","4","0.5","","Bai, Nannan; Gao, Ruicheng; Wang, Haihua; Wu, Yunlong; Hou, Lei; Wang, Yao-Yu","Five transition metal coordination polymers driven by a semirigid trifunctional nicotinic acid ligand: selective adsorption and magnetic properties","CrystEngComm","2018","20","38","5726","","10.1039/C8CE01003J","","","0.71073","MoKα","","0.0391","0.0318","","","0.079","0.0837","","","","","","1.051","","","","has coordinates,has disorder","229151","2020-10-21","18:00:00",""
"7231499","5.1932","0.0008","5.1932","0.0008","11.426","0.004","90","","90","","90","","308.15","0.13","293","2","293","2","","","","","","","","4","I 41/a","-I 4ad","88","","","","- Gd2.28 Li1.16 Mo4 O16 -","- Gd2.288 Li1.144 Mo4 O16 -","- Gd2.288 Li1.144 Mo4 O16 -","1","","","Sun, Shijia; Qi, Wei; Chen, Weidong; Lou, Fei; Zhong, Degao; Hu, Chen; Zhang, Lizhen; Lin, Zhoubin; Teng, Bing","Li2Gd4(MoO4)7 crystal preparation and spectral properties applying to 2.0 μm lasers","CrystEngComm","2018","","","","","10.1039/C8CE01192C","","","0.71073","MoKα","","0.0452","0.0438","","","0.1433","0.1475","","","","","","1.172","","","","has coordinates","210546","2020-10-21","18:00:00",""
"7231500","9.884","0.005","10.055","0.005","21.401","0.01","93.574","0.008","91.624","0.008","112.313","0.008","1960.7","1.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H80 Co3 N16 O23 S2 -","- C72 H80 Co3 N16 O23 S2 -","- C72 H80 Co3 N16 O23 S2 -","1","0.5","","Lian, Zhaoxun; Zhao, Ning; Liu, Ping; An, Caixia; Wang, Airong; Yang, Fengxia","Crystal structures and investigation of the third-order nonlinear optical properties of four coordination polymers by using the Z-scan technique","CrystEngComm","2018","20","38","5833","","10.1039/C8CE01283K","","x-ray","0.71073","MoKα","","0.0702","0.0487","","","0.1226","0.1317","","","","","","1.04","","","","has coordinates","229153","2020-10-21","18:00:00",""
"7231501","10.0679","0.0006","11.2018","0.0007","11.3853","0.0007","103.514","0.001","107.522","0.001","95.532","0.001","1171.13","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H26 N4 Ni O7 -","- C23 H26 N4 Ni O7 -","- C46 H52 N8 Ni2 O14 -","2","1","","Lian, Zhaoxun; Zhao, Ning; Liu, Ping; An, Caixia; Wang, Airong; Yang, Fengxia","Crystal structures and investigation of the third-order nonlinear optical properties of four coordination polymers by using the Z-scan technique","CrystEngComm","2018","20","38","5833","","10.1039/C8CE01283K","","x-ray","0.71073","MoKα","","0.0357","0.0312","","","0.0825","0.0856","","","","","","1.039","","","","has coordinates","229153","2020-10-21","18:00:00",""
"7231502","8.1354","0.0017","16.294","0.003","16.793","0.003","108.688","0.004","90.416","0.004","94.18","0.004","2102","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H44 N8 Ni O10 S -","- C42 H44 N8 Ni O10 S -","- C84 H88 N16 Ni2 O20 S2 -","2","1","","Lian, Zhaoxun; Zhao, Ning; Liu, Ping; An, Caixia; Wang, Airong; Yang, Fengxia","Crystal structures and investigation of the third-order nonlinear optical properties of four coordination polymers by using the Z-scan technique","CrystEngComm","2018","20","38","5833","","10.1039/C8CE01283K","","x-ray","0.71073","MoKα","","0.0843","0.0527","","","0.1201","0.1374","","","","","","1.035","","","","has coordinates","229153","2020-10-21","18:00:00",""
"7231503","23.542","0.013","10.509","0.006","10.273","0.006","90","","104.604","0.008","90","","2459","2","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C23 H24 N4 Ni O9 -","- C23 H24 N4 Ni O9 -","- C92 H96 N16 Ni4 O36 -","4","1","","Lian, Zhaoxun; Zhao, Ning; Liu, Ping; An, Caixia; Wang, Airong; Yang, Fengxia","Crystal structures and investigation of the third-order nonlinear optical properties of four coordination polymers by using the Z-scan technique","CrystEngComm","2018","20","38","5833","","10.1039/C8CE01283K","","x-ray","0.71073","MoKα","","0.0474","0.037","","","0.0996","0.1092","","","","","","1.047","","","","has coordinates","229153","2020-10-21","18:00:00",""
"7231504","16.517","0.007","14.199","0.007","11.763","0.005","90","","117.976","0.008","90","","2436.3","1.9","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C46 H44 Cd Cu2 N4 O10 -","- C46 H44 Cd Cu2 N4 O10 -","- C92 H88 Cd2 Cu4 N8 O20 -","2","0.25","","Dutta, Sabarni; Jana, Subrata; Mahapatra, Prithwish; Bauzá, Antonio; Frontera, Antonio; Ghosh, Ashutosh","Joining of trinuclear (CuL)2M (M = MnII and CdII) nodes by 1,3- and 1,4-benzenedicarboxylate linkers: positional isomeric effect on co-crystallization","CrystEngComm","2018","20","41","6490","","10.1039/C8CE01168K","","","0.71073","MoKα","","0.0834","0.0637","","","0.1557","0.1647","","","","","","1.115","","","","has coordinates","228920","2020-10-21","18:00:00",""
"7231505","33.368","0.01","11.339","0.004","22.334","0.007","90","","120.204","0.004","90","","7303","4","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C84 H84 Cu4 Mn N8 O12 -","- C84 H84 Cu4 Mn N8 O12 -","- C336 H336 Cu16 Mn4 N32 O48 -","4","0.5","","Dutta, Sabarni; Jana, Subrata; Mahapatra, Prithwish; Bauzá, Antonio; Frontera, Antonio; Ghosh, Ashutosh","Joining of trinuclear (CuL)2M (M = MnII and CdII) nodes by 1,3- and 1,4-benzenedicarboxylate linkers: positional isomeric effect on co-crystallization","CrystEngComm","2018","20","41","6490","","10.1039/C8CE01168K","","","0.71073","MoKα","","0.0944","0.0499","","","0.1034","0.1239","","","","","","0.962","","","","has coordinates","228920","2020-10-21","18:00:00",""
"7231506","16.705","0.008","14.059","0.008","11.579","0.006","90","","117.522","0.009","90","","2412","2","296","2","296","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C46 H44 Cu2 Mn N4 O10 -","- C46 H44 Cu2 Mn N4 O10 -","- C92 H88 Cu4 Mn2 N8 O20 -","2","0.25","","Dutta, Sabarni; Jana, Subrata; Mahapatra, Prithwish; Bauzá, Antonio; Frontera, Antonio; Ghosh, Ashutosh","Joining of trinuclear (CuL)2M (M = MnII and CdII) nodes by 1,3- and 1,4-benzenedicarboxylate linkers: positional isomeric effect on co-crystallization","CrystEngComm","2018","20","41","6490","","10.1039/C8CE01168K","","","0.71073","MoKα","","0.1017","0.0841","","","0.2328","0.2425","","","","","","1.14","","","","has coordinates","228920","2020-10-21","18:00:00",""
"7231507","33.2826","0.0012","11.3712","0.0003","22.6379","0.0009","90","","120.453","0.003","90","","7385.7","0.5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C84 H84 Cd Cu4 N8 O12 -","- C84 H84 Cd Cu4 N8 O12 -","- C336 H336 Cd4 Cu16 N32 O48 -","4","0.5","","Dutta, Sabarni; Jana, Subrata; Mahapatra, Prithwish; Bauzá, Antonio; Frontera, Antonio; Ghosh, Ashutosh","Joining of trinuclear (CuL)2M (M = MnII and CdII) nodes by 1,3- and 1,4-benzenedicarboxylate linkers: positional isomeric effect on co-crystallization","CrystEngComm","2018","20","41","6490","","10.1039/C8CE01168K","","","0.71073","MoKα","","0.0308","0.0258","","","0.0957","0.1041","","","","","","0.907","","","","has coordinates","228920","2020-10-21","18:00:00",""
"7231510","12.1515","0.001","13.1137","0.0011","16.5899","0.0014","98.339","0.001","105.425","0.001","104.474","0.001","2403.3","0.3","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C72 H100 N12 O38 Ru2 V4 -","- C72 H48 N12 O38 Ru2 V4 -","- C72 H48 N12 O38 Ru2 V4 -","1","0.5","","Wang, Ke; Xu, Qiaofei; Ma, Pengtao; Zhang, Chao; Wang, Jingping; Niu, Jingyang","Polyoxovanadate catalysts for oxidation of 1-phenyl ethanol: from the discrete [V4O12]4− and [V10O28]6− anions to the anionic [V6O17]n4n− coordination polymer","CrystEngComm","2018","20","40","6273","","10.1039/C8CE01237G","","","0.71073","MoKα","","0.0838","0.0752","","","0.2037","0.2151","","","","","","1.048","","","","has coordinates","229052","2020-10-21","18:00:00",""
"7231511","16.289","0.0017","16.476","0.0017","18.003","0.002","104.61","0.002","116.152","0.002","91.609","0.002","4142.5","0.8","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C72 H48 Cl N12 O20 Ru2 V6 -","- C72 H48 Cl N12 O20 Ru2 V6 -","- C144 H96 Cl2 N24 O40 Ru4 V12 -","2","1","","Wang, Ke; Xu, Qiaofei; Ma, Pengtao; Zhang, Chao; Wang, Jingping; Niu, Jingyang","Polyoxovanadate catalysts for oxidation of 1-phenyl ethanol: from the discrete [V4O12]4− and [V10O28]6− anions to the anionic [V6O17]n4n− coordination polymer","CrystEngComm","2018","20","40","6273","","10.1039/C8CE01237G","","","0.71073","MoKα","","0.1089","0.0926","","","0.2562","0.2771","","","","","","1.028","","","","has coordinates,has disorder","229052","2020-10-21","18:00:00",""
"7231512","26.468","0.004","15.103","0.002","23.374","0.003","90","","108.164","0.003","90","","8878","2","296","2","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H78 N12 O43 Ru2 V10 -","- C72 H48 N12 O43 Ru2 V10 -","- C288 H192 N48 O172 Ru8 V40 -","4","0.5","","Wang, Ke; Xu, Qiaofei; Ma, Pengtao; Zhang, Chao; Wang, Jingping; Niu, Jingyang","Polyoxovanadate catalysts for oxidation of 1-phenyl ethanol: from the discrete [V4O12]4− and [V10O28]6− anions to the anionic [V6O17]n4n− coordination polymer","CrystEngComm","2018","20","40","6273","","10.1039/C8CE01237G","","","0.71073","MoKα","","0.1342","0.0731","","","0.1721","0.2153","","","","","","1.025","","","","has coordinates","229052","2020-10-21","18:00:00",""
"7231513","8.902","0.0006","9.2715","0.0008","14.2635","0.0012","84.984","0.007","89.142","0.006","63.976","0.007","1053.47","0.16","298","2","298","2","","","","","","","","5","P -1","-P 1","2","ABZ BSAH","Albendazole benzene sulfonic acid hydrate","","- C18 H23 N3 O6 S2 -","- C18 H23 N3 O6 S2 -","- C36 H46 N6 O12 S4 -","2","1","","Bolla, Geetha; Nangia, Ashwini","Novel pharmaceutical salts of albendazole","CrystEngComm","2018","20","41","6394","","10.1039/C8CE01311J","","","0.71073","MoKα","","0.1073","0.0639","","","0.1434","0.1709","","","","","","1.026","","","","has coordinates","228923","2020-10-21","18:00:00",""
"7231514","8.9","0.005","9.573","0.005","14.453","0.008","83.026","0.009","72.434","0.008","63.151","0.008","1047.3","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","ABZ-PTSAH","Albendazole paratoulene sulfonic acid hydrate","","- C19 H25 N3 O6 S2 -","- C19 H25 N3 O6 S2 -","- C38 H50 N6 O12 S4 -","2","1","","Bolla, Geetha; Nangia, Ashwini","Novel pharmaceutical salts of albendazole","CrystEngComm","2018","20","41","6394","","10.1039/C8CE01311J","","","0.71073","MoKα","","0.0734","0.0694","","","0.1889","0.1945","","","","","","1.046","","","","has coordinates","228923","2020-10-21","18:00:00",""
"7231515","15.2992","0.0017","9.742","0.0009","15.8825","0.0014","90","","115.573","0.012","90","","2135.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H23 N3 O5 S2 -","- C19 H23 N3 O5 S2 -","- C76 H92 N12 O20 S8 -","4","1","","Bolla, Geetha; Nangia, Ashwini","Novel pharmaceutical salts of albendazole","CrystEngComm","2018","20","41","6394","","10.1039/C8CE01311J","","","0.71073","MoKα","","0.1227","0.074","","","0.1883","0.2105","","","","","","1.106","","","","has coordinates","228923","2020-10-21","18:00:00",""
"7231516","8.5042","0.0007","9.4678","0.0007","26.084","0.002","96.005","0.006","93.966","0.007","102.377","0.007","2031","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","ABZ-BSA","Albendazole benzenesulfonic acid","","- C18 H21 N3 O5 S2 -","- C18 H21 N3 O5 S2 -","- C72 H84 N12 O20 S8 -","4","2","","Bolla, Geetha; Nangia, Ashwini","Novel pharmaceutical salts of albendazole","CrystEngComm","2018","20","41","6394","","10.1039/C8CE01311J","","","0.71073","MoKα","","0.1844","0.0844","","","0.2121","0.2723","","","","","","0.991","","","","has coordinates","228923","2020-10-21","18:00:00",""
"7231517","5.2659","0.0007","28.337","0.004","11.2029","0.0015","90","","93.925","0.002","90","","1667.8","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","ABZ-OAH","Albendazole oxalic acid hydrate","","- C14 H15 N3 O7 S -","- C14 H15 N3 O7 S -","- C56 H60 N12 O28 S4 -","4","1","","Bolla, Geetha; Nangia, Ashwini","Novel pharmaceutical salts of albendazole","CrystEngComm","2018","20","41","6394","","10.1039/C8CE01311J","","","0.71073","MoKα","","0.0657","0.064","","","0.1589","0.1598","","","","","","1.326","","","","has coordinates,has disorder","228923","2020-10-21","18:00:00",""
"7231518","17.176","0.005","9.293","0.003","25.789","0.008","90","","105.95","0.005","90","","3958","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","ABZ-26DHBA","Albendazole-26dihydroxy benzoic acid","","- C38 H26 N6 O12 S2 -","- C38 H26 N6 O12 S2 -","- C152 H104 N24 O48 S8 -","4","1","","Bolla, Geetha; Nangia, Ashwini","Novel pharmaceutical salts of albendazole","CrystEngComm","2018","20","41","6394","","10.1039/C8CE01311J","","","0.71073","MoKα","","0.0986","0.0758","","","0.1946","0.2099","","","","","","1.095","","","","has coordinates,has disorder","228923","2020-10-21","18:00:00",""
"7231521","7.2684","0.0003","11.2015","0.0005","11.2573","0.0005","65.725","0.001","73.534","0.001","72.674","0.001","783.82","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H15 Ba O13 P3 -","- C6 H15 Ba O13 P3 -","- C12 H30 Ba2 O26 P6 -","2","1","","Athanasopoulos, Evangelos D.; Armakola, Eirini; Koutsoukos, Petros G.; Demadis, Konstantinos D.","Nucleation and crystal growth of barium sulfate: inhibition in the presence of rigid and flexible triphosphonate additives","CrystEngComm","2018","20","41","6589","","10.1039/C8CE01116H","","","0.71073","MoKα","","0.021","0.0199","","","0.0513","0.0517","","","","","","1.08","","","","has coordinates","228917","2020-10-21","18:00:00",""
"7231522","10.8415","0.0002","13.7771","0.0004","6.9369","0.0002","90","","102.685","0.001","90","","1010.84","0.05","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N2 O2 -","- C12 H10 N2 O2 -","- C48 H40 N8 O8 -","4","1","","Yue, Pengyun; Dong, Caiqiao; Zhang, Mingtao; Xu, Danrui; Parkin, Sean; Li, Tonglei; Li, Conggang; Yu, Faquan; Long, Sihui","Zwitterion formation and subsequent carboxylate‒pyridinium NH synthon generation through isomerization of 2-anilinonicotinic acid","CrystEngComm","2018","20","40","6126","","10.1039/C8CE01255E","","","0.71073","MoKα","","0.0803","0.0488","","","0.1247","0.1421","","","","","","1.062","","","","has coordinates","229053","2020-10-21","18:00:00",""
"7231523","11.526","0.0002","7.222","0.0002","26.949","0.0007","90","","90","","90","","2243.26","0.09","90","0.2","90","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H14 N2 O3 -","- C13 H10 N2 O3 -","- C104 H80 N16 O24 -","8","1","","Yue, Pengyun; Dong, Caiqiao; Zhang, Mingtao; Xu, Danrui; Parkin, Sean; Li, Tonglei; Li, Conggang; Yu, Faquan; Long, Sihui","Zwitterion formation and subsequent carboxylate‒pyridinium NH synthon generation through isomerization of 2-anilinonicotinic acid","CrystEngComm","2018","20","40","6126","","10.1039/C8CE01255E","","","0.71073","MoKα","","0.0669","0.0384","","","0.1002","0.1173","","","","","","1.079","","","","has coordinates,has disorder","229053","2020-10-21","18:00:00",""
"7231524","12.217","0.0002","10.689","0.0002","18.218","0.0005","90","","90.039","0.001","90","","2379.04","0.09","90","0.2","90","0.2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H11 Cl N2 O2 -","- C13 H11 Cl N2 O2 -","- C104 H88 Cl8 N16 O16 -","8","1","","Yue, Pengyun; Dong, Caiqiao; Zhang, Mingtao; Xu, Danrui; Parkin, Sean; Li, Tonglei; Li, Conggang; Yu, Faquan; Long, Sihui","Zwitterion formation and subsequent carboxylate‒pyridinium NH synthon generation through isomerization of 2-anilinonicotinic acid","CrystEngComm","2018","20","40","6126","","10.1039/C8CE01255E","","","0.71073","MoKα","","0.0442","0.0357","","","0.0885","0.0931","","","","","","1.07","","","","has coordinates","229053","2020-10-21","18:00:00",""
"7231525","13.818","0.0002","11.305","0.0002","13.56","0.0003","90","","107.686","0.0009","90","","2018.12","0.06","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N2 O2 -","- C12 H10 N2 O2 -","- C96 H80 N16 O16 -","8","2","","Yue, Pengyun; Dong, Caiqiao; Zhang, Mingtao; Xu, Danrui; Parkin, Sean; Li, Tonglei; Li, Conggang; Yu, Faquan; Long, Sihui","Zwitterion formation and subsequent carboxylate‒pyridinium NH synthon generation through isomerization of 2-anilinonicotinic acid","CrystEngComm","2018","20","40","6126","","10.1039/C8CE01255E","","","0.71073","MoKα","","0.0606","0.0415","","","0.1062","0.1162","","","","","","1.044","","","","has coordinates","229053","2020-10-21","18:00:00",""
"7231526","15.6345","0.0008","11.2144","0.0005","12.7553","0.0006","90","","90","","90","","2236.41","0.18","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C20 H23 N3 O7 Zn -","- C20 H23 N3 O7 Zn -","- C80 H92 N12 O28 Zn4 -","4","1","","Behera, Jogendra Nath; Tiwari, Ranjay K.","Hybrid materials based on transition Metal-BTC-Benzimidazole: Solvent assisted crystallographic and structural switching","CrystEngComm","2018","","","","","10.1039/C8CE01299G","","","0.71073","MoKα","","0.0262","0.0237","","","0.0636","0.0653","","","","","","1.032","","","","has coordinates","211033","2020-10-21","18:00:00",""
"7231527","37.298","0.006","13.1819","0.0019","19.249","0.005","90","","113.855","0.014","90","","8655","3","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C69 H45 Co4 N12 O18 -","- C69 H45 Co4 N12 O18 -","- C276 H180 Co16 N48 O72 -","4","0.5","","Behera, Jogendra Nath; Tiwari, Ranjay K.","Hybrid materials based on transition Metal-BTC-Benzimidazole: Solvent assisted crystallographic and structural switching","CrystEngComm","2018","","","","","10.1039/C8CE01299G","","","0.71073","MoKα","","0.0598","0.0458","","","0.1184","0.1233","","","","","","0.99","","","","has coordinates","211033","2020-10-21","18:00:00",""
"7231528","10.205","0.0003","14.3969","0.0004","16.594","0.0004","97.411","0.002","102.378","0.002","105.892","0.002","2244.14","0.11","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C39 H43 N9 O19 Zn2 -","- C39 H43 N9 O19 Zn2 -","- C78 H86 N18 O38 Zn4 -","2","1","","Behera, Jogendra Nath; Tiwari, Ranjay K.","Hybrid materials based on transition Metal-BTC-Benzimidazole: Solvent assisted crystallographic and structural switching","CrystEngComm","2018","","","","","10.1039/C8CE01299G","","","0.71073","MoKα","","0.0463","0.0342","","","0.0844","0.0909","","","","","","1.038","","","","has coordinates","211033","2020-10-21","18:00:00",""
"7231529","19.9133","0.0004","12.3389","0.0004","14.9402","0.0003","90","","111.332","0.001","90","","3419.43","0.15","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H30 N4 O17 Zn2 -","- C32 H30 N4 O17 Zn2 -","- C128 H120 N16 O68 Zn8 -","4","0.5","","Behera, Jogendra Nath; Tiwari, Ranjay K.","Hybrid materials based on transition Metal-BTC-Benzimidazole: Solvent assisted crystallographic and structural switching","CrystEngComm","2018","","","","","10.1039/C8CE01299G","","","0.71073","MoKα","","0.0285","0.024","","","0.068","0.0703","","","","","","1.036","","","","has coordinates","211033","2020-10-21","18:00:00",""
"7231530","18.8612","0.0003","18.8612","0.0003","17.5446","0.0004","90","","90","","120","","5405.21","0.17","296","2","296.15","","","","","","","","","5","R -3","-R 3","148","","","","- C20 H14 Cu N4 O4 -","- C20 H14 Cu N4 O4 -","- C180 H126 Cu9 N36 O36 -","9","","","Behera, Jogendra Nath; Tiwari, Ranjay K.","Hybrid materials based on transition Metal-BTC-Benzimidazole: Solvent assisted crystallographic and structural switching","CrystEngComm","2018","","","","","10.1039/C8CE01299G","","","0.71073","MoKα","","0.0438","0.0394","","","0.1171","0.122","","","","","","1.095","","","","has coordinates","211033","2020-10-21","18:00:00",""
"7231532","12.8523","0.0004","12.8523","0.0004","45.7558","0.0017","90","","90","","120","","6545.4","0.4","100","2","100","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","Sodium cerium iminodiacetato biphenyl dicarboxylate","Sodium cerium iminodiacetato biphenyl dicarboxylate","","- C54 H36 Ce3 N3 Na3 O28 -","- C54 H36 Ce3 N3 Na3 O28 -","- C162 H108 Ce9 N9 Na9 O84 -","3","0.166667","","Maity, Rahul; Chakraborty, Debanjan; Nandi, Shyamapada; Rinku, Kushwaha; Vaidhyanathan, Ramanathan","Microporous mixed-metal mixed-ligand metal organic framework for selective CO2 capture","CrystEngComm","2018","20","39","6088","","10.1039/C8CE00752G","","","1.54178","CuKα","","0.0359","0.0357","","","0.1199","0.12","","","","","","1.193","","","","has coordinates","228984","2020-10-21","18:00:00",""
"7231535","10.768","0.0005","12.2601","0.0006","13.3043","0.0006","97.054","0.002","101.999","0.002","98.839","0.002","1675.71","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H39 Cl2 N4 O6 -","- C38 H39 Cl2 N4 O6 -","- C76 H78 Cl4 N8 O12 -","2","1","","Kawahata, Masatoshi; Hyodo, Tadashi; Tominaga, Masahide; Yamaguchi, Kentaro","Separation of p-xylene from aromatic compounds through specific inclusion by acyclic host molecule","CrystEngComm","2018","20","38","5667","","10.1039/C8CE01101J","","","1.54178","CuKα","","0.044","0.0372","","","0.096","0.1006","","","","","","1.033","","","","has coordinates","229152","2020-10-21","18:00:00",""
"7231536","23.5127","0.0011","7.1104","0.0003","19.6874","0.0009","90","","108.636","0.002","90","","3118.9","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H34 Cl2 N4 O6 -","- C34 H34 Cl2 N4 O6 -","- C136 H136 Cl8 N16 O24 -","4","0.5","","Kawahata, Masatoshi; Hyodo, Tadashi; Tominaga, Masahide; Yamaguchi, Kentaro","Separation of p-xylene from aromatic compounds through specific inclusion by acyclic host molecule","CrystEngComm","2018","20","38","5667","","10.1039/C8CE01101J","","","1.54178","CuKα","","0.0335","0.0307","","","0.0867","0.089","","","","","","1.092","","","","has coordinates","229152","2020-10-21","18:00:00",""
"7231537","7.7589","0.0004","11.9715","0.0005","16.3035","0.0006","73.776","0.003","77.048","0.004","80.463","0.004","1408.44","0.11","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C30 H29 Cl2 F N4 O5 -","- C30 H29 Cl2 F N4 O5 -","- C60 H58 Cl4 F2 N8 O10 -","2","1","","Bhattacharya, Biswajit; Mondal, Amit; Soni, Saundray Raj; Das, Susobhan; Bhunia, Surojit; Bal Raju, K.; Ghosh, Animesh; Malla Reddy, C.","Multidrug salt forms of norfloxacin with non-steroidal anti-inflammatory drugs: solubility and membrane permeability studies","CrystEngComm","2018","20","41","6420","","10.1039/C8CE00900G","","x-ray","0.71073","MoKα","","0.0994","0.0905","","","0.2509","0.2583","","","","","","1.077","","","","has coordinates","228916","2020-10-21","18:00:00",""
"7231538","6.9178","0.0004","18.4663","0.001","20.0399","0.001","90","","92.316","0.005","90","","2557.9","0.2","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H25 F3 N3 O6 -","- C29 H25 F3 N3 O6 -","- C116 H100 F12 N12 O24 -","4","1","","Bhattacharya, Biswajit; Mondal, Amit; Soni, Saundray Raj; Das, Susobhan; Bhunia, Surojit; Bal Raju, K.; Ghosh, Animesh; Malla Reddy, C.","Multidrug salt forms of norfloxacin with non-steroidal anti-inflammatory drugs: solubility and membrane permeability studies","CrystEngComm","2018","20","41","6420","","10.1039/C8CE00900G","","x-ray","0.71073","","","0.06","0.0522","","","0.1187","0.1222","","","","","","1.224","","","","has coordinates","228916","2020-10-21","18:00:00",""
"7231539","7.0624","0.0003","13.6301","0.0008","15.3041","0.0007","73.354","0.005","77.509","0.004","80.518","0.004","1369.7","0.12","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C31 H33 F N4 O5 -","- C31 H33 F N4 O5 -","- C62 H66 F2 N8 O10 -","2","1","","Bhattacharya, Biswajit; Mondal, Amit; Soni, Saundray Raj; Das, Susobhan; Bhunia, Surojit; Bal Raju, K.; Ghosh, Animesh; Malla Reddy, C.","Multidrug salt forms of norfloxacin with non-steroidal anti-inflammatory drugs: solubility and membrane permeability studies","CrystEngComm","2018","20","41","6420","","10.1039/C8CE00900G","","x-ray","0.71073","MoKα","","0.0589","0.046","","","0.1102","0.1164","","","","","","1.11","","","","has coordinates","228916","2020-10-21","18:00:00",""
"7231540","18.5334","0.0007","6.7235","0.0003","25.4164","0.0012","90","","91.407","0.004","90","","3166.2","0.2","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H36 Cl F N4 O8 -","- C35 H36 Cl F N4 O8 -","- C140 H144 Cl4 F4 N16 O32 -","4","1","","Bhattacharya, Biswajit; Mondal, Amit; Soni, Saundray Raj; Das, Susobhan; Bhunia, Surojit; Bal Raju, K.; Ghosh, Animesh; Malla Reddy, C.","Multidrug salt forms of norfloxacin with non-steroidal anti-inflammatory drugs: solubility and membrane permeability studies","CrystEngComm","2018","20","41","6420","","10.1039/C8CE00900G","","x-ray","0.71073","MoKα","","0.0679","0.0503","","","0.152","0.1672","","","","","","1.077","","","","has coordinates","228916","2020-10-21","18:00:00",""
"7231541","10.49","0.003","11.48","0.003","11.803","0.003","71.177","0.005","80.96","0.005","69.147","0.004","1255.8","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H30 Co3 Mo8 N16 O36 -","- C16 H10 Co3 Mo8 N16 O36 -","- C16 H10 Co3 Mo8 N16 O36 -","1","0.5","","Wang, Xiuli; Bai, Xue; Lin, Hongyan; Sun, Junjun; Liu, Guocheng; Wang, Xiang","Novel polyoxometalate-based cobalt complexes based on rigid pyridyl-triazole-tetrazole and pyridyl-bis(triazole) ligands","CrystEngComm","2018","20","41","6438","","10.1039/C8CE01158C","","","0.71069","MoKα","","0.0761","0.0475","","","0.1185","0.1342","","","","","","1.002","","","","has coordinates","228919","2020-10-21","18:00:00",""
"7231542","10.63","0.0005","11.386","0.0005","11.491","0.0005","100.128","0.001","105.992","0.001","91.208","0.001","1312.58","0.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H40 Co3 Mo6 N16 O38 Te -","- C16 H10 Co3 Mo6 N16 O38 Te -","- C16 H10 Co3 Mo6 N16 O38 Te -","1","0.5","","Wang, Xiuli; Bai, Xue; Lin, Hongyan; Sun, Junjun; Liu, Guocheng; Wang, Xiang","Novel polyoxometalate-based cobalt complexes based on rigid pyridyl-triazole-tetrazole and pyridyl-bis(triazole) ligands","CrystEngComm","2018","20","41","6438","","10.1039/C8CE01158C","","","0.71069","MoKα","","0.0341","0.0296","","","0.0918","0.0948","","","","","","1.036","","","","has coordinates","228919","2020-10-21","18:00:00",""
"7231543","10.653","0.0017","11.38","0.0018","12.165","0.002","93.925","0.004","114.034","0.003","96.044","0.003","1329.3","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H32 Co3 Mo8 N14 O36 -","- C18 H12 Co3 Mo8 N14 O36 -","- C18 H12 Co3 Mo8 N14 O36 -","1","0.5","","Wang, Xiuli; Bai, Xue; Lin, Hongyan; Sun, Junjun; Liu, Guocheng; Wang, Xiang","Novel polyoxometalate-based cobalt complexes based on rigid pyridyl-triazole-tetrazole and pyridyl-bis(triazole) ligands","CrystEngComm","2018","20","41","6438","","10.1039/C8CE01158C","","","0.71069","MoKα","","0.1008","0.0605","","","0.157","0.1813","","","","","","1.015","","","","has coordinates","228919","2020-10-21","18:00:00",""
"7231554","9.3306","0.0003","12.1953","0.0006","13.9463","0.0007","106.882","0.004","96.827","0.003","110.51","0.004","1378.53","0.12","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H20 N3 O8 Zn -","- C34 H20 N3 O8 Zn -","- C68 H40 N6 O16 Zn2 -","2","1","","Tsai, Meng-Jung; Li, Chih-Yu; Wu, Jing-Yun","Luminescent Zn(ii) coordination polymers as efficient fluorescent sensors for highly sensitive detection of explosive nitroaromatics","CrystEngComm","2018","20","42","6762","","10.1039/C8CE01371C","","","0.71073","MoKα","","0.053","0.039","","","0.0807","0.0881","","","","","","1.033","","","","has coordinates","228967","2020-10-21","18:00:00",""
"7231555","9.9165","0.0006","11.2086","0.0008","15.7088","0.0013","69.766","0.007","83.974","0.006","65.283","0.006","1486.6","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H23 N3 O11 Zn -","- C31 H19 N3 O11 Zn -","- C62 H38 N6 O22 Zn2 -","2","1","","Tsai, Meng-Jung; Li, Chih-Yu; Wu, Jing-Yun","Luminescent Zn(ii) coordination polymers as efficient fluorescent sensors for highly sensitive detection of explosive nitroaromatics","CrystEngComm","2018","20","42","6762","","10.1039/C8CE01371C","","","0.71073","MoKα","","0.0979","0.0778","","","0.1932","0.2043","","","","","","1.149","","","","has coordinates,has disorder","228967","2020-10-21","18:00:00",""
"7231556","22.9944","0.0014","9.5069","0.0006","14.6854","0.001","90","","93.394","0.002","90","","3204.7","0.4","150","2","150","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C80 H48 N6 O17 Zn2 -","- C80 H48 N6 O17 Zn2 -","- C160 H96 N12 O34 Zn4 -","2","0.5","","Tsai, Meng-Jung; Li, Chih-Yu; Wu, Jing-Yun","Luminescent Zn(ii) coordination polymers as efficient fluorescent sensors for highly sensitive detection of explosive nitroaromatics","CrystEngComm","2018","20","42","6762","","10.1039/C8CE01371C","","","0.71073","MoKα","","0.1564","0.1435","","","0.3024","0.3086","","","","","","1.173","","","","has coordinates","228967","2020-10-21","18:00:00",""
"7231557","20.873","0.0007","20.873","0.0007","14.2157","0.0004","90","","90","","90","","6193.5","0.3","300","2","300","2","","","","","","","","6","I 41","I 4bw","80","","","","- C48 H32 I8 Mn2 N16 Nb -","- C48 H32 I8 Mn2 N16 Nb -","- C192 H128 I32 Mn8 N64 Nb4 -","4","0.5","","Ohno, Takuro; Nakabayashi, Koji; Imoto, Kenta; Komine, Masaya; Chorazy, Szymon; Ohkoshi, Shin-ichi","Chiral cyanido-bridged Mn‒Nb magnets including halogen-bonds","CrystEngComm","2018","","","","","10.1039/C8CE01353E","","","0.71073","MoKα","","0.0464","0.0458","","","0.1141","0.1144","","","","","","1.142","","","","has coordinates","211146","2020-10-21","18:00:00",""
"7231558","20.8811","0.0009","20.8811","0.0009","14.219","0.0004","90","","90","","90","","6199.8","0.4","295","2","295","2","","","","","","","","6","I 41","I 4bw","80","","","","- C48 H32 I8 Mn2 N16 Nb -","- C48 H32 I8 Mn2 N16 Nb -","- C192 H128 I32 Mn8 N64 Nb4 -","4","0.5","","Ohno, Takuro; Nakabayashi, Koji; Imoto, Kenta; Komine, Masaya; Chorazy, Szymon; Ohkoshi, Shin-ichi","Chiral cyanido-bridged Mn‒Nb magnets including halogen-bonds","CrystEngComm","2018","","","","","10.1039/C8CE01353E","","","0.71073","MoKα","","0.0456","0.0445","","","0.1094","0.1099","","","","","","1.087","","","","has coordinates","211146","2020-10-21","18:00:00",""
"7231559","13.7697","0.0005","26.2046","0.0009","31.9937","0.0012","90","","90","","90","","11544.3","0.7","90","2","90","2","","","","","","","","6","F d d d","-F 2uv 2vw","70","","","","- C48 H32 Cl8 Mn2 N16 Nb -","- C48 H32 Cl8 Mn2 N16 Nb -","- C384 H256 Cl64 Mn16 N128 Nb8 -","8","","","Ohno, Takuro; Nakabayashi, Koji; Imoto, Kenta; Komine, Masaya; Chorazy, Szymon; Ohkoshi, Shin-ichi","Chiral cyanido-bridged Mn‒Nb magnets including halogen-bonds","CrystEngComm","2018","","","","","10.1039/C8CE01353E","","","0.71073","MoKα","","0.0486","0.0453","","","0.0693","0.0702","","","","","","1.417","","","","has coordinates","211146","2020-10-21","18:00:00",""
"7231560","20.7954","0.0007","20.7954","0.0007","14.1103","0.0005","90","","90","","90","","6102","0.4","90","2","90","2","","","","","","","","6","I 41","I 4bw","80","","","","- C48 H32 I8 Mn2 N16 Nb -","- C48 H32 I8 Mn2 N16 Nb -","- C192 H128 I32 Mn8 N64 Nb4 -","4","0.5","","Ohno, Takuro; Nakabayashi, Koji; Imoto, Kenta; Komine, Masaya; Chorazy, Szymon; Ohkoshi, Shin-ichi","Chiral cyanido-bridged Mn‒Nb magnets including halogen-bonds","CrystEngComm","2018","","","","","10.1039/C8CE01353E","","","0.71073","MoKα","","0.0218","0.0217","","","0.0526","0.0526","","","","","","1.062","","","","has coordinates","211146","2020-10-21","18:00:00",""
"7231561","13.9379","0.0003","26.6853","0.0005","31.5931","0.0006","90","","90","","90","","11750.6","0.4","296","2","296","2","","","","","","","","6","F d d d","-F 2uv 2vw","70","","","","- C48 H32 Cl8 Mn2 N16 Nb -","- C48 H32 Cl8 Mn2 N16 Nb -","- C384 H256 Cl64 Mn16 N128 Nb8 -","8","","","Ohno, Takuro; Nakabayashi, Koji; Imoto, Kenta; Komine, Masaya; Chorazy, Szymon; Ohkoshi, Shin-ichi","Chiral cyanido-bridged Mn‒Nb magnets including halogen-bonds","CrystEngComm","2018","","","","","10.1039/C8CE01353E","","","0.71073","MoKα","","0.0648","0.0589","","","0.1058","0.108","","","","","","1.368","","","","has coordinates","211146","2020-10-21","18:00:00",""
"7231562","20.792","0.002","20.792","0.002","14.1122","0.0007","90","","90","","90","","6100.8","0.9","90","2","90","2","","","","","","","","6","I 41","I 4bw","80","","","","- C48 H32 I8 Mn2 N16 Nb -","- C48 H32 I8 Mn2 N16 Nb -","- C192 H128 I32 Mn8 N64 Nb4 -","4","0.5","","Ohno, Takuro; Nakabayashi, Koji; Imoto, Kenta; Komine, Masaya; Chorazy, Szymon; Ohkoshi, Shin-ichi","Chiral cyanido-bridged Mn‒Nb magnets including halogen-bonds","CrystEngComm","2018","","","","","10.1039/C8CE01353E","","","0.71073","MoKα","","0.0271","0.027","","","0.0651","0.0652","","","","","","1.09","","","","has coordinates","211146","2020-10-21","18:00:00",""
"7231563","11.765","0.002","6.848","0.0014","15.417","0.003","90","","100.72","0.03","90","","1220.4","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H32 N2 Ni O2 -","- C30 H32 N2 Ni O2 -","- C60 H64 N4 Ni2 O4 -","2","1","","Ganadu, Maria Luisa; Demitri, Nicola; Zangrando, Ennio","Conformation-directing chiral groups in bis(naphthaldiminato)nickel(ii) complexes: a rare example with 16 crystallographically independent units (Z′)","CrystEngComm","2018","20","40","6122","","10.1039/C8CE01089G","","","0.7","synchrotron","","0.0307","0.0307","","","0.0879","0.0879","","","","","","1.104","","","","has coordinates","229054","2020-10-21","18:00:00",""
"7231564","18.579","0.004","31.71","0.006","40.968","0.008","90","","92.51","0.03","90","","24113","8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H40 N2 Ni O2 -","- C34 H40 N2 Ni O2 -","- C1088 H1280 N64 Ni32 O64 -","32","16","","Ganadu, Maria Luisa; Demitri, Nicola; Zangrando, Ennio","Conformation-directing chiral groups in bis(naphthaldiminato)nickel(ii) complexes: a rare example with 16 crystallographically independent units (Z′)","CrystEngComm","2018","20","40","6122","","10.1039/C8CE01089G","","","0.7","synchrotron","","0.0343","0.0307","","","0.0804","0.0828","","","","","","1.034","","","","has coordinates","229054","2020-10-21","18:00:00",""
"7231565","11.693","0.002","39.642","0.008","9.7135","0.0018","90","","111.005","0.007","90","","4203.3","1.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H24 Cl6 Mn2 N4 O14 -","- C34 H24 Cl6 Mn2 N4 O14 -","- C136 H96 Cl24 Mn8 N16 O56 -","4","1","","Pagès, J. M.; Escriche-Tur, L.; Font-Bardia, M.; Aullón, G.; Corbella, M.","Indirect effect of hydrogen bonds on the magnetic coupling on Mn(iii) dinuclear compounds","CrystEngComm","2018","20","41","6629","","10.1039/C8CE01194J","","","0.71073","MoKα","","0.0691","0.0516","","","0.1273","0.1377","","","","","","1.038","","","","has coordinates,has disorder","228921","2020-10-21","18:00:00",""
"7231566","18.6545","0.0012","14.0357","0.0008","15.6154","0.001","90","","90","","90","","4088.6","0.4","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C36 H26 Cl4 Mn2 N7 O13 -","- C36 H26 Cl4 Mn2 N7 O13 -","- C144 H104 Cl16 Mn8 N28 O52 -","4","1","","Pagès, J. M.; Escriche-Tur, L.; Font-Bardia, M.; Aullón, G.; Corbella, M.","Indirect effect of hydrogen bonds on the magnetic coupling on Mn(iii) dinuclear compounds","CrystEngComm","2018","20","41","6629","","10.1039/C8CE01194J","","","0.71073","MoKα","","0.0753","0.07","","","0.1856","0.1907","","","","","","1.084","","","","has coordinates","228921","2020-10-21","18:00:00",""
"7231567","16.249","0.0004","10.264","0.0003","9.9035","0.0003","90","","96.976","0.002","90","","1639.48","0.08","100.01","0.1","100.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H26 Cl2 N2 O4 Pd -","- C12 H26 Cl2 N2 O4 Pd -","- C48 H104 Cl8 N8 O16 Pd4 -","4","0.5","","Arenaza-Corona, Antonino; Morales-Morales, David; Hernández-Ahuactzi, Iran F.; Barba, Victor","Structural and conformational changes in [M(1,10-diaza-18-crown-6)Cl2] (M = Pd, Pb) complexes: a crystallographic and theoretical study","CrystEngComm","2018","20","42","6733","","10.1039/C8CE01478G","","x-ray","0.71073","MoKα","","0.0309","0.0263","","","0.05","0.0532","","","","","","1.062","","","","has coordinates","228965","2020-10-21","18:00:00",""
"7231568","7.4645","0.00019","7.6682","0.0002","16.3035","0.0005","90","","100.063","0.003","90","","918.84","0.04","100.29","0.1","100.29","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H26 Cl2 N2 O4 Pb -","- C12 H26 Cl2 N2 O4 Pb -","- C24 H52 Cl4 N4 O8 Pb2 -","2","0.5","","Arenaza-Corona, Antonino; Morales-Morales, David; Hernández-Ahuactzi, Iran F.; Barba, Victor","Structural and conformational changes in [M(1,10-diaza-18-crown-6)Cl2] (M = Pd, Pb) complexes: a crystallographic and theoretical study","CrystEngComm","2018","20","42","6733","","10.1039/C8CE01478G","","x-ray","0.71073","MoKα","","0.0405","0.0262","","","0.0418","0.047","","","","","","1.01","","","","has coordinates","228965","2020-10-21","18:00:00",""
"7231569","6.5577","0.0003","7.8482","0.0003","7.8785","0.0003","83.909","0.003","81.02","0.003","87.767","0.003","398.14","0.03","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C12 H26 Cl2 N2 O4 Pd -","- C12 H26 Cl2 N2 O4 Pd -","- C12 H26 Cl2 N2 O4 Pd -","1","0.5","","Arenaza-Corona, Antonino; Morales-Morales, David; Hernández-Ahuactzi, Iran F.; Barba, Victor","Structural and conformational changes in [M(1,10-diaza-18-crown-6)Cl2] (M = Pd, Pb) complexes: a crystallographic and theoretical study","CrystEngComm","2018","20","42","6733","","10.1039/C8CE01478G","","x-ray","0.71073","MoKα","","0.0264","0.0242","","","0.0498","0.0508","","","","","","1.08","","","","has coordinates","228965","2020-10-21","18:00:00",""
"7231570","9.0814","0.0007","9.3267","0.0007","9.8315","0.0007","83.997","0.003","65.41","0.002","63.057","0.002","671.38","0.09","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H12 O11 Sm -","- C10 H12 O11 Sm -","- C20 H24 O22 Sm2 -","2","1","","Chainok, Kittipong; Ponjan, Nutcha; Theppitak, Chatphorn; Khemthong, Phailyn; Kielar, Filip; Dungkaew, Winya; Zhou, Yan; Batten, Stuart R.","Temperature-dependent 3D structures of lanthanide coordination polymers based on dicarboxylate mixed ligands","CrystEngComm","2018","20","46","7446","","10.1039/C8CE01430B","","x-ray","0.71073","MoKα","","0.0221","0.0176","","","0.0348","0.0359","","","","","","1.063","","","","has coordinates","229025","2020-10-21","18:00:00",""
"7231571","8.2905","0.0003","18.7105","0.0007","7.797","0.0003","90","","105.969","0.0015","90","","1162.8","0.08","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9.4 Dy O8.7 -","- C9 H9.4 Dy O8.7 -","- C36 H37.6 Dy4 O34.8 -","4","1","","Chainok, Kittipong; Ponjan, Nutcha; Theppitak, Chatphorn; Khemthong, Phailyn; Kielar, Filip; Dungkaew, Winya; Zhou, Yan; Batten, Stuart R.","Temperature-dependent 3D structures of lanthanide coordination polymers based on dicarboxylate mixed ligands","CrystEngComm","2018","20","46","7446","","10.1039/C8CE01430B","","x-ray","0.71073","MoKα","","0.0227","0.0188","","","0.0427","0.0441","","","","","","1.049","","","","has coordinates","229025","2020-10-21","18:00:00",""
"7231572","8.3156","0.0004","18.7115","0.0007","7.8028","0.0004","90","","106.171","0.002","90","","1166.06","0.09","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9.4 O8.7 Tb -","- C9 H9.4 O8.7 Tb -","- C36 H37.6 O34.8 Tb4 -","4","1","","Chainok, Kittipong; Ponjan, Nutcha; Theppitak, Chatphorn; Khemthong, Phailyn; Kielar, Filip; Dungkaew, Winya; Zhou, Yan; Batten, Stuart R.","Temperature-dependent 3D structures of lanthanide coordination polymers based on dicarboxylate mixed ligands","CrystEngComm","2018","20","46","7446","","10.1039/C8CE01430B","","x-ray","0.71073","MoKα","","0.052","0.0311","","","0.0526","0.0568","","","","","","1.023","","","","has coordinates","229025","2020-10-21","18:00:00",""
"7231573","14.0391","0.0004","6.7782","0.0002","21.9289","0.0005","90","","90","","90","","2086.75","0.1","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H5 O6 Tb -","- C10 H5 O6 Tb -","- C80 H40 O48 Tb8 -","8","1","","Chainok, Kittipong; Ponjan, Nutcha; Theppitak, Chatphorn; Khemthong, Phailyn; Kielar, Filip; Dungkaew, Winya; Zhou, Yan; Batten, Stuart R.","Temperature-dependent 3D structures of lanthanide coordination polymers based on dicarboxylate mixed ligands","CrystEngComm","2018","20","46","7446","","10.1039/C8CE01430B","","x-ray","0.71073","MoKα","","0.0309","0.0214","","","0.0345","0.0363","","","","","","1.093","","","","has coordinates","229025","2020-10-21","18:00:00",""
"7231574","8.3815","0.0003","18.8425","0.0006","7.8522","0.0002","90","","106.311","0.0011","90","","1190.18","0.06","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9.4 O8.7 Sm -","- C9 H9.4 O8.7 Sm -","- C36 H37.6 O34.8 Sm4 -","4","1","","Chainok, Kittipong; Ponjan, Nutcha; Theppitak, Chatphorn; Khemthong, Phailyn; Kielar, Filip; Dungkaew, Winya; Zhou, Yan; Batten, Stuart R.","Temperature-dependent 3D structures of lanthanide coordination polymers based on dicarboxylate mixed ligands","CrystEngComm","2018","20","46","7446","","10.1039/C8CE01430B","","x-ray","0.71073","MoKα","","0.0388","0.0253","","","0.0461","0.0494","","","","","","1.057","","","","has coordinates","229025","2020-10-21","18:00:00",""
"7231575","9.0276","0.0002","12.5114","0.0003","10.4264","0.0002","90","","103.238","0.001","90","","1146.35","0.04","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H20 O18 Sm2 -","- C16 H20 O18 Sm2 -","- C32 H40 O36 Sm4 -","2","1","","Chainok, Kittipong; Ponjan, Nutcha; Theppitak, Chatphorn; Khemthong, Phailyn; Kielar, Filip; Dungkaew, Winya; Zhou, Yan; Batten, Stuart R.","Temperature-dependent 3D structures of lanthanide coordination polymers based on dicarboxylate mixed ligands","CrystEngComm","2018","20","46","7446","","10.1039/C8CE01430B","","x-ray","0.71073","MoKα","","0.0247","0.0202","","","0.036","0.0368","","","","","","1.053","","","","has coordinates","229025","2020-10-21","18:00:00",""
"7231576","9.1538","0.0004","9.315","0.0004","9.7631","0.0005","84.232","0.0017","65.533","0.0015","62.711","0.0016","669.27","0.06","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H12 O11 Tb -","- C10 H12 O11 Tb -","- C20 H24 O22 Tb2 -","2","1","","Chainok, Kittipong; Ponjan, Nutcha; Theppitak, Chatphorn; Khemthong, Phailyn; Kielar, Filip; Dungkaew, Winya; Zhou, Yan; Batten, Stuart R.","Temperature-dependent 3D structures of lanthanide coordination polymers based on dicarboxylate mixed ligands","CrystEngComm","2018","20","46","7446","","10.1039/C8CE01430B","","x-ray","0.71073","MoKα","","0.0504","0.035","","","0.051","0.0542","","","","","","1.097","","","","has coordinates","229025","2020-10-21","18:00:00",""
"7231577","8.9118","0.0002","12.3451","0.0003","10.34","0.0002","90","","103.048","0.0009","90","","1108.21","0.04","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H20 Er2 O18 -","- C16 H20 Er2 O18 -","- C32 H40 Er4 O36 -","2","1","","Chainok, Kittipong; Ponjan, Nutcha; Theppitak, Chatphorn; Khemthong, Phailyn; Kielar, Filip; Dungkaew, Winya; Zhou, Yan; Batten, Stuart R.","Temperature-dependent 3D structures of lanthanide coordination polymers based on dicarboxylate mixed ligands","CrystEngComm","2018","20","46","7446","","10.1039/C8CE01430B","","x-ray","0.71073","MoKα","","0.0257","0.0209","","","0.0318","0.0326","","","","","","1.005","","","","has coordinates","229025","2020-10-21","18:00:00",""
"7231578","14.0967","0.0008","6.8258","0.0003","22.0196","0.0013","90","","90","","90","","2118.8","0.2","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H5 Eu O6 -","- C10 H5 Eu O6 -","- C80 H40 Eu8 O48 -","8","1","","Chainok, Kittipong; Ponjan, Nutcha; Theppitak, Chatphorn; Khemthong, Phailyn; Kielar, Filip; Dungkaew, Winya; Zhou, Yan; Batten, Stuart R.","Temperature-dependent 3D structures of lanthanide coordination polymers based on dicarboxylate mixed ligands","CrystEngComm","2018","20","46","7446","","10.1039/C8CE01430B","","x-ray","0.71073","MoKα","","0.0499","0.0259","","","0.0572","0.0845","","","","","","1.149","","","","has coordinates","229025","2020-10-21","18:00:00",""
"7231579","9.0081","0.0003","12.4849","0.0004","10.4062","0.0003","90","","103.211","0.001","90","","1139.36","0.06","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H20 Eu2 O18 -","- C16 H20 Eu2 O18 -","- C32 H40 Eu4 O36 -","2","1","","Chainok, Kittipong; Ponjan, Nutcha; Theppitak, Chatphorn; Khemthong, Phailyn; Kielar, Filip; Dungkaew, Winya; Zhou, Yan; Batten, Stuart R.","Temperature-dependent 3D structures of lanthanide coordination polymers based on dicarboxylate mixed ligands","CrystEngComm","2018","20","46","7446","","10.1039/C8CE01430B","","x-ray","0.71073","MoKα","","0.0191","0.0164","","","0.0282","0.0286","","","","","","1.058","","","","has coordinates","229025","2020-10-21","18:00:00",""
"7231580","8.9635","0.0003","12.4252","0.0004","10.3811","0.0004","90","","103.123","0.0011","90","","1125.99","0.07","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H20 O18 Tb2 -","- C16 H20 O18 Tb2 -","- C32 H40 O36 Tb4 -","2","1","","Chainok, Kittipong; Ponjan, Nutcha; Theppitak, Chatphorn; Khemthong, Phailyn; Kielar, Filip; Dungkaew, Winya; Zhou, Yan; Batten, Stuart R.","Temperature-dependent 3D structures of lanthanide coordination polymers based on dicarboxylate mixed ligands","CrystEngComm","2018","20","46","7446","","10.1039/C8CE01430B","","x-ray","0.71073","MoKα","","0.038","0.0281","","","0.0484","0.0508","","","","","","1.023","","","","has coordinates","229025","2020-10-21","18:00:00",""
"7231581","14.1351","0.0006","6.8443","0.0003","22.0442","0.001","90","","90","","90","","2132.66","0.16","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H5 O6 Sm -","- C10 H5 O6 Sm -","- C80 H40 O48 Sm8 -","8","1","","Chainok, Kittipong; Ponjan, Nutcha; Theppitak, Chatphorn; Khemthong, Phailyn; Kielar, Filip; Dungkaew, Winya; Zhou, Yan; Batten, Stuart R.","Temperature-dependent 3D structures of lanthanide coordination polymers based on dicarboxylate mixed ligands","CrystEngComm","2018","20","46","7446","","10.1039/C8CE01430B","","x-ray","0.71073","MoKα","","0.0577","0.0412","","","0.0972","0.1039","","","","","","1.199","","","","has coordinates","229025","2020-10-21","18:00:00",""
"7231582","13.9332","0.0016","6.7258","0.0008","21.795","0.002","90","","90","","90","","2042.5","0.4","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H5 Er O6 -","- C10 H5 Er O6 -","- C80 H40 Er8 O48 -","8","1","","Chainok, Kittipong; Ponjan, Nutcha; Theppitak, Chatphorn; Khemthong, Phailyn; Kielar, Filip; Dungkaew, Winya; Zhou, Yan; Batten, Stuart R.","Temperature-dependent 3D structures of lanthanide coordination polymers based on dicarboxylate mixed ligands","CrystEngComm","2018","20","46","7446","","10.1039/C8CE01430B","","x-ray","0.71073","MoKα","","0.0303","0.0232","","","0.0486","0.0504","","","","","","1.104","","","","has coordinates","229025","2020-10-21","18:00:00",""
"7231583","8.3194","0.0007","18.7938","0.0015","7.8274","0.0006","90","","106.066","0.002","90","","1176.04","0.16","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9.4 Gd O8.7 -","- C9 H9.4 Gd O8.7 -","- C36 H37.6 Gd4 O34.8 -","4","1","","Chainok, Kittipong; Ponjan, Nutcha; Theppitak, Chatphorn; Khemthong, Phailyn; Kielar, Filip; Dungkaew, Winya; Zhou, Yan; Batten, Stuart R.","Temperature-dependent 3D structures of lanthanide coordination polymers based on dicarboxylate mixed ligands","CrystEngComm","2018","20","46","7446","","10.1039/C8CE01430B","","x-ray","0.71073","MoKα","","0.0219","0.0186","","","0.0385","0.0395","","","","","","1.111","","","","has coordinates","229025","2020-10-21","18:00:00",""
"7231586","13.5715","0.0012","10.693","0.0009","21.9043","0.0016","90","","99.931","0.002","90","","3131.1","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H40 B N O4 -","- C38 H40 B N O4 -","- C152 H160 B4 N4 O16 -","4","1","","Chang, Wei-Jie; Su, Padi Yi-Syong; Lee, Kwang-Ming","Anion-controlled supramolecular crystal structures and ionic liquids from fatty acid-substituted ethyl-nicotinate ionic compounds","CrystEngComm","2018","20","45","7248","","10.1039/C8CE00785C","","","0.71073","MoKα","","0.0846","0.047","","","0.0916","0.1057","","","","","","0.999","","","","has coordinates","229134","2020-10-21","18:00:00",""
"7231587","7.6544","0.0002","10.3806","0.0003","10.4938","0.0003","105.591","0.0013","102.958","0.0012","95.446","0.0013","771.91","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H21 Br N2 O3 -","- C14 H20 Br N O4 -","- C28 H40 Br2 N2 O8 -","2","1","","Chang, Wei-Jie; Su, Padi Yi-Syong; Lee, Kwang-Ming","Anion-controlled supramolecular crystal structures and ionic liquids from fatty acid-substituted ethyl-nicotinate ionic compounds","CrystEngComm","2018","20","45","7248","","10.1039/C8CE00785C","","","0.71073","MoKα","","0.0262","0.0225","","","0.0588","0.0864","","","","","","1.108","","","","has coordinates","229134","2020-10-21","18:00:00",""
"7231588","7.8199","0.0014","8.6152","0.0015","12.9","0.002","98.216","0.002","99.515","0.002","90.024","0.002","848.1","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","co-crystal of mefenamic acid and 1,2-Bis(4-pyridyl)ethylene","","- C21 H20 N2 O2 -","- C21 H20 N2 O2 -","- C42 H40 N4 O4 -","2","1","","Zheng, Qixuan; Rood, Samantha L.; Unruh, Daniel K.; Hutchins, Kristin M.","Co-crystallization of anti-inflammatory pharmaceutical contaminants and rare carboxylic acid‒pyridine supramolecular synthon breakdown","CrystEngComm","2018","20","41","6377","","10.1039/C8CE01492B","","","0.71073","MoKα","","0.0561","0.0421","","","0.1078","0.1162","","","","","","1.064","","","","has coordinates","228918","2020-10-21","18:00:00",""
"7231589","7.503","0.003","7.836","0.003","20.382","0.007","88.77","0.09","85.38","0.05","79.99","0.05","1176.2","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","co-crystal of mefenamic acid and 1,3-Bis(4-pyridyl)propane","","- C28 H29 N3 O2 -","- C28 H29 N3 O2 -","- C56 H58 N6 O4 -","2","1","","Zheng, Qixuan; Rood, Samantha L.; Unruh, Daniel K.; Hutchins, Kristin M.","Co-crystallization of anti-inflammatory pharmaceutical contaminants and rare carboxylic acid‒pyridine supramolecular synthon breakdown","CrystEngComm","2018","20","41","6377","","10.1039/C8CE01492B","","","0.71073","MoKα","","0.0929","0.0523","","","0.1188","0.1398","","","","","","1.014","","","","has coordinates","228918","2020-10-21","18:00:00",""
"7231590","38.014","0.016","5.787","0.003","15.566","0.007","90","","93.646","0.006","90","","3417","3","160","2","160","2","","","","","","","","4","C 1 2 1","C 2y","5","","co-crystal of naproxen and 1,2-Bis(4-pyridyl)ethane","","- C40 H40 N2 O6 -","- C40 H40 N2 O6 -","- C160 H160 N8 O24 -","4","1","","Zheng, Qixuan; Rood, Samantha L.; Unruh, Daniel K.; Hutchins, Kristin M.","Co-crystallization of anti-inflammatory pharmaceutical contaminants and rare carboxylic acid‒pyridine supramolecular synthon breakdown","CrystEngComm","2018","20","41","6377","","10.1039/C8CE01492B","","","0.71073","MoKα","","0.0583","0.0404","","","0.0865","0.0949","","","","","","1.017","","","","has coordinates,has disorder","228918","2020-10-21","18:00:00",""
"7231591","7.549","0.005","8.736","0.006","13.095","0.008","100.617","0.01","99.729","0.009","93.918","0.009","832.2","0.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","co-crystal of mefenamic acid and 4,4'-azopyridine","","- C20 H19 N3 O2 -","- C20 H19 N3 O2 -","- C40 H38 N6 O4 -","2","1","","Zheng, Qixuan; Rood, Samantha L.; Unruh, Daniel K.; Hutchins, Kristin M.","Co-crystallization of anti-inflammatory pharmaceutical contaminants and rare carboxylic acid‒pyridine supramolecular synthon breakdown","CrystEngComm","2018","20","41","6377","","10.1039/C8CE01492B","","","0.71073","MoKα","","0.0641","0.0415","","","0.0958","0.1078","","","","","","1.036","","","","has coordinates","228918","2020-10-21","18:00:00",""
"7231592","35.567","0.008","5.7333","0.0015","33.199","0.008","90","","91.732","0.004","90","","6767","3","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","co-crystal of naproxen and 1,3-Bis(4-pyridyl)propane","","- C41 H42 N2 O6 -","- C41 H42 N2 O6 -","- C328 H336 N16 O48 -","8","2","","Zheng, Qixuan; Rood, Samantha L.; Unruh, Daniel K.; Hutchins, Kristin M.","Co-crystallization of anti-inflammatory pharmaceutical contaminants and rare carboxylic acid‒pyridine supramolecular synthon breakdown","CrystEngComm","2018","20","41","6377","","10.1039/C8CE01492B","","","0.71073","MoKα","","0.066","0.0447","","","0.0947","0.1038","","","","","","1.039","","","","has coordinates","228918","2020-10-21","18:00:00",""
"7231593","7.45","0.007","7.835","0.007","16.895","0.016","94.3","0.03","93.16","0.017","117.89","0.02","864.6","1.4","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","co-crystal of mefenamic acid and 1,2-Bis(4-pyridyl)ethane","","- C21 H21 N2 O2 -","- C21 H21 N2 O2 -","- C42 H42 N4 O4 -","2","1","","Zheng, Qixuan; Rood, Samantha L.; Unruh, Daniel K.; Hutchins, Kristin M.","Co-crystallization of anti-inflammatory pharmaceutical contaminants and rare carboxylic acid‒pyridine supramolecular synthon breakdown","CrystEngComm","2018","20","41","6377","","10.1039/C8CE01492B","","","0.71073","MoKα","","0.0601","0.0423","","","0.1035","0.1143","","","","","","1.052","","","","has coordinates","228918","2020-10-21","18:00:00",""
"7231594","15.483","0.007","5.745","0.002","19.668","0.008","90","","110.025","0.008","90","","1643.7","1.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","co-crystal of naproxen and 4,4'-azopyridine","","- C38 H36 N4 O6 -","- C38 H36 N4 O6 -","- C76 H72 N8 O12 -","2","1","","Zheng, Qixuan; Rood, Samantha L.; Unruh, Daniel K.; Hutchins, Kristin M.","Co-crystallization of anti-inflammatory pharmaceutical contaminants and rare carboxylic acid‒pyridine supramolecular synthon breakdown","CrystEngComm","2018","20","41","6377","","10.1039/C8CE01492B","","","0.71073","MoKα","","0.05","0.0381","","","0.0866","0.0921","","","","","","1.048","","","","has coordinates","228918","2020-10-21","18:00:00",""
"7231595","6.9225","0.0006","7.7077","0.0006","31.93","0.003","90","","91.279","0.002","90","","1703.3","0.3","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 Cl4 Cu N2 -","- C12 H20 Cl4 Cu N2 -","- C48 H80 Cl16 Cu4 N8 -","4","1","","Guo, Fang; Wang, Hao-Cheng; Famulari, Antonino; Lu, Hai-Dong; Martí-Rujas, Javier","Dynamic behaviour in nonporous hybrid metal‒organic materials via mechanochemical and gas‒solid reactions","CrystEngComm","2018","20","42","6721","","10.1039/C8CE01287C","","","0.71076","MoKα","","0.1004","0.0862","","","0.1818","0.1884","","","","","","1.259","","","","has coordinates","228963","2020-10-21","18:00:00",""
"7231596","21.2189","0.0018","8.7496","0.0008","7.2499","0.0007","90","","94.387","0.004","90","","1342.1","0.2","293","","298","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C12 H18 Cl2 Cu N2 -","- C12 H18 Cl2 Cu N2 -","- C48 H72 Cl8 Cu4 N8 -","4","2","","Guo, Fang; Wang, Hao-Cheng; Famulari, Antonino; Lu, Hai-Dong; Martí-Rujas, Javier","Dynamic behaviour in nonporous hybrid metal‒organic materials via mechanochemical and gas‒solid reactions","CrystEngComm","2018","20","42","6721","","10.1039/C8CE01287C","","","0.7107","MoKα","","0.0929","0.0913","","","0.2411","0.2424","","","","","","1.087","","","","has coordinates","228963","2020-10-21","18:00:00",""
"7231597","12.155","0.0008","13.1686","0.0009","20.007","0.0013","90","","93.363","0.002","90","","3196.9","0.4","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H38 Cl4 Cu2 N5 -","- C26 H39 Cl4 Cu2 N5 -","- C104 H156 Cl16 Cu8 N20 -","4","1","","Guo, Fang; Wang, Hao-Cheng; Famulari, Antonino; Lu, Hai-Dong; Martí-Rujas, Javier","Dynamic behaviour in nonporous hybrid metal‒organic materials via mechanochemical and gas‒solid reactions","CrystEngComm","2018","20","42","6721","","10.1039/C8CE01287C","","","0.71076","MoKα","","0.0942","0.0684","","","0.1399","0.1521","","","","","","1.195","","","","has coordinates","228963","2020-10-21","18:00:00",""
"7231599","18.0496","0.001","8.027","0.0004","20.6646","0.0011","90","","102.221","0.001","90","","2926.1","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H20 Cd N4 O8 -","- C34 H20 Cd N4 O8 -","- C136 H80 Cd4 N16 O32 -","4","1","","Fu, Chen; Zhang, Guo-Shuai; Wang, Hai-Yu; Li, Li; Fu, Jia-Wei; Sun, Ya-Nan; Zhang, Hong","Different photochromic properties induced by lone pair‒π interactions with varying strengths in two stereocontrolled self-assembly isomeric coordination polymers","CrystEngComm","2018","20","42","6821","","10.1039/C8CE01367E","","","0.71073","MoKα","","0.0433","0.0297","","","0.0654","0.0724","","","","","","1.017","","","","has coordinates","228964","2020-10-21","18:00:00",""
"7231600","23.835","0.005","10.0215","0.0019","12.362","0.002","90","","90","","90","","2952.8","1","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C34 H20 Cd N4 O8 -","- C34 H20 Cd N4 O8 -","- C136 H80 Cd4 N16 O32 -","4","0.5","","Fu, Chen; Zhang, Guo-Shuai; Wang, Hai-Yu; Li, Li; Fu, Jia-Wei; Sun, Ya-Nan; Zhang, Hong","Different photochromic properties induced by lone pair‒π interactions with varying strengths in two stereocontrolled self-assembly isomeric coordination polymers","CrystEngComm","2018","20","42","6821","","10.1039/C8CE01367E","","","0.71073","MoKα","","0.0583","0.0478","","","0.1614","0.1777","","","","","","0.753","","","","has coordinates","228964","2020-10-21","18:00:00",""
"7231601","9.711","0.004","16.824","0.007","26.957","0.011","90","","96.816","0.007","90","","4373","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 Co8 N10 O10 -","- C27.2 H16 Co0.8 N5.6 O5.6 -","- C136 H80 Co4 N28 O28 -","5","1.25","","Wang, Kuaibing; Wang, Xin; Zhang, Dan; Wang, Huijian; Wang, Zikai; Zhao, Minyan; Xi, Rui; Wu, Hua; Zheng, Mingbo","Interpenetrated nano-MOFs for ultrahigh-performance supercapacitors and excellent dye adsorption performance","CrystEngComm","2018","20","43","6940","","10.1039/C8CE01067F","","","0.71073","MoKα","","0.1735","0.1248","","","0.322","0.3633","","","","","","1.065","","","","has coordinates","228952","2020-10-21","18:00:00",""
"7231602","15.715","0.007","23.065","0.009","9.764","0.004","90","","108.308","0.007","90","","3360","2","296","2","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H30 Co N2 O7.5 -","- C29 H30 Co N2 O7.5 -","- C116 H120 Co4 N8 O30 -","4","0.5","","Tan, Huiling; Chen, Qibin; Sheng, Yujie; Li, Xiaoxiao; Liu, Honglai","Guest-induced reversible crystal-to-amorphous-to-crystal transformation in a Co(ii)-based metal‒organic framework","CrystEngComm","2018","20","42","6828","","10.1039/C8CE01324A","","","0.71073","MoKα","","0.1297","0.0606","","","0.1532","0.1914","","","","","","0.884","","","","has coordinates","228966","2020-10-21","18:00:00",""
"7231616","18.5209","0.0003","18.5209","0.0003","39.0171","0.0009","90","","90","","120","","11590.7","0.4","293","2","293","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C28 H16 Cu2 N2 O10 -","- C28 H12 Cu2 N2 O10 -","- C252 H108 Cu18 N18 O90 -","9","0.25","","Li, Saidan; Wu, Jing; Gao, Xiaoxia; He, Minghui; Wang, Yao; Wang, Xia; He, Yabing","A NbO-type MOF based on an aromatic-rich and N-functionalized diisophthalate ligand for high-performance acetylene storage and purification","CrystEngComm","2018","20","44","7178","","10.1039/C8CE01585F","","","1.54178","CuKα","","0.0613","0.048","","","0.1413","0.1522","","","","","","1.015","","","","has coordinates","228902","2020-10-21","18:00:00",""
"7231623","13.6619","0.0006","13.1449","0.0006","29.4958","0.001","90","","98.109","0.0015","90","","5244","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","S138","","","- C44 H44 Br4 Co3 N6 O9 S2 -","- C44 H44 Br4 Co3 N6 O9 S2 -","- C176 H176 Br16 Co12 N24 O36 S8 -","4","1","","Ghosh, Kousik; Harms, Klaus; Bauzá, Antonio; Frontera, Antonio; Chattopadhyay, Shouvik","σ-Hole halogen bonding interactions in a mixed valence cobalt(iii/ii) complex and anti-electrostatic hydrogen bonding interaction in a cobalt(iii) complex: a theoretical insight","CrystEngComm","2018","20","45","7281","","10.1039/C8CE01323C","","","0.71073","MoKα","","0.0378","0.0298","","","0.0608","0.0631","","","","","","1.151","","","","has coordinates","229136","2020-10-21","18:00:00",""
"7231624","12.1333","0.0006","12.4014","0.0006","16.1899","0.0008","102.673","0.002","100.042","0.002","100.232","0.002","2280.5","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","S139","","","- C36 H48 Br3 Co2 N15 O3 -","- C36 H48 Br3 Co2 N15 O3 -","- C72 H96 Br6 Co4 N30 O6 -","2","1","","Ghosh, Kousik; Harms, Klaus; Bauzá, Antonio; Frontera, Antonio; Chattopadhyay, Shouvik","σ-Hole halogen bonding interactions in a mixed valence cobalt(iii/ii) complex and anti-electrostatic hydrogen bonding interaction in a cobalt(iii) complex: a theoretical insight","CrystEngComm","2018","20","45","7281","","10.1039/C8CE01323C","","","0.71073","MoKα","","0.0324","0.0244","","","0.048","0.0502","","","","","","1.05","","","","has coordinates","229136","2020-10-21","18:00:00",""
"7231626","20.8441","0.001","16.0569","0.0008","23.1343","0.0011","90","","114.16","0.0011","90","","7064.6","0.6","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H64 Cl4 Mn7 N21 O26 -","- C42 H64 Cl4 Mn7 N21 O26 -","- C168 H256 Cl16 Mn28 N84 O104 -","4","0.5","","Yang, En-Che; Huang, Han-Sheng; Huang, Shao-Yun; Huang, Shi-Yi; Chang, Yu-Ying; Lee, Gene-Hsiang; Sheu, Hwo-Shuenn; Chang, Chung-Kai","A one dimensional coordination polymer composed of antiferromagnetically coupled disk-like [Mn7] units","CrystEngComm","2018","20","43","6963","","10.1039/C8CE01374H","","","0.71073","MoKα","","0.0664","0.0527","","","0.1438","0.1529","","","","","","1.038","","","","has coordinates,has disorder","228951","2020-10-21","18:00:00",""
"7231630","23.1181","0.0018","8.8477","0.0008","18.8039","0.0012","90","","90","","90","","3846.2","0.5","293","2","293","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C8 H6.33 Eu O10.33 S -","- C8 H6.3332 Eu O10.3333 S -","- C64 H50.6656 Eu8 O82.6664 S8 -","8","0.5","","Yuan, Yue-Ying; Yang, Shuai-Liang; Zhang, Chen-Xi; Wang, Qing-Lun","A new europium metal‒organic framework with both high proton conductivity and highly sensitive detection of ascorbic acid","CrystEngComm","2018","20","43","6989","","10.1039/C8CE01506F","","","0.71073","MoKα","","0.0784","0.0639","","","0.2033","0.2194","","","","","","1.099","","","","has coordinates","228953","2020-10-21","18:00:00",""
"7231631","8.7892","0.0003","7.4533","0.0002","16.4801","0.0004","90","","90","","90","","1079.59","0.05","175","","175","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- H4 Na2 O13 Si4 Sn -","- H4 Na2 O13 Si4 Sn -","- H16 Na8 O52 Si16 Sn4 -","4","0.5","","Clavier, D.; Hermet, P.; Van der Lee, A.; Haines, J.; Cambon, O.","Prediction of piezoelectric properties by first principles calculations and hydrothermal crystal growth of Si1−xSnxO2 α-quartz phase","CrystEngComm","2018","20","46","7479","","10.1039/C8CE01548A","","","0.71073","MoKα","","0.0735","0.0714","","0.0667","0.0653","0.0653","","","","","","0.8506","","","","has coordinates","229024","2020-10-21","18:00:00",""
"7231632","8.6659","0.0003","43.0938","0.001","22.4966","0.0006","90","","112.628","0.004","90","","7754.6","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H69 Cu4 I10 N12 O2 -","- C60 H65 Cu4 I10 N12 O2 -","- C240 H260 Cu16 I40 N48 O8 -","4","1","","Wang, Fu-Rong; Li, Zi-Yan; Wei, Dong-Hui; Niu, Yun-Yin; Hou, Hong-Wei; Wu, Ben-Lai","The conformational behavior of multivalent tris(imidazolium)cyclophanes in the hybrids with metal (pseudo)halides or polyoxometalates","CrystEngComm","2018","20","44","7184","","10.1039/C8CE01372A","","x-ray","1.54184","CuKα","","0.0844","0.0795","","","0.2294","0.2373","","","","","","1.07","","","","has coordinates,has disorder","228901","2020-10-21","18:00:00",""
"7231633","20.7409","0.0005","17.1057","0.0003","11.6678","0.0002","90","","90","","90","","4139.59","0.14","293","2","293","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C39 H46 Ag N11 O2 S4 -","- C39 H46 Ag N11 O2 S4 -","- C156 H184 Ag4 N44 O8 S16 -","4","0.5","","Wang, Fu-Rong; Li, Zi-Yan; Wei, Dong-Hui; Niu, Yun-Yin; Hou, Hong-Wei; Wu, Ben-Lai","The conformational behavior of multivalent tris(imidazolium)cyclophanes in the hybrids with metal (pseudo)halides or polyoxometalates","CrystEngComm","2018","20","44","7184","","10.1039/C8CE01372A","","x-ray","1.54184","CuKα","","0.0769","0.0682","","","0.1866","0.1931","","","","","","1.098","","","","has coordinates,has disorder","228901","2020-10-21","18:00:00",""
"7231634","10.7081","0.0003","16.2105","0.0003","27.427","0.0008","90","","125.51","0.004","90","","3875.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H39 Hg I5 N6 -","- C33 H39 Hg I5 N6 -","- C132 H156 Hg4 I20 N24 -","4","1","","Wang, Fu-Rong; Li, Zi-Yan; Wei, Dong-Hui; Niu, Yun-Yin; Hou, Hong-Wei; Wu, Ben-Lai","The conformational behavior of multivalent tris(imidazolium)cyclophanes in the hybrids with metal (pseudo)halides or polyoxometalates","CrystEngComm","2018","20","44","7184","","10.1039/C8CE01372A","","x-ray","0.71073","MoKα","","0.0463","0.035","","","0.0764","0.0819","","","","","","1.041","","","","has coordinates","228901","2020-10-21","18:00:00",""
"7231635","10.0714","0.0005","17.5006","0.0005","10.6518","0.0006","90","","115.604","0.007","90","","1693.08","0.17","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C33 H43 Br2 I N6 O2 -","- C33 H43 Br2 I N6 O2 -","- C66 H86 Br4 I2 N12 O4 -","2","0.5","","Wang, Fu-Rong; Li, Zi-Yan; Wei, Dong-Hui; Niu, Yun-Yin; Hou, Hong-Wei; Wu, Ben-Lai","The conformational behavior of multivalent tris(imidazolium)cyclophanes in the hybrids with metal (pseudo)halides or polyoxometalates","CrystEngComm","2018","20","44","7184","","10.1039/C8CE01372A","","x-ray","0.71073","MoKα","","0.0846","0.0534","","","0.108","0.1223","","","","","","1.033","","","","has coordinates,has disorder","228901","2020-10-21","18:00:00",""
"7231636","8.7246","0.0003","18.8111","0.0005","11.1783","0.0004","90","","111.852","0.005","90","","1702.76","0.11","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H39 I3 N6 O3 -","- C30 H39 I3 N6 O3 -","- C60 H78 I6 N12 O6 -","2","1","","Wang, Fu-Rong; Li, Zi-Yan; Wei, Dong-Hui; Niu, Yun-Yin; Hou, Hong-Wei; Wu, Ben-Lai","The conformational behavior of multivalent tris(imidazolium)cyclophanes in the hybrids with metal (pseudo)halides or polyoxometalates","CrystEngComm","2018","20","44","7184","","10.1039/C8CE01372A","","x-ray","0.71073","MoKα","","0.0583","0.0426","","","0.0637","0.0713","","","","","","1","","","","has coordinates","228901","2020-10-21","18:00:00",""
"7231637","8.7292","0.0004","13.9897","0.0006","15.3377","0.0007","90.287","0.003","98.19","0.004","99.191","0.003","1829.38","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H33 I5 N6 Pb -","- C30 H33 I5 N6 Pb -","- C60 H66 I10 N12 Pb2 -","2","1","","Wang, Fu-Rong; Li, Zi-Yan; Wei, Dong-Hui; Niu, Yun-Yin; Hou, Hong-Wei; Wu, Ben-Lai","The conformational behavior of multivalent tris(imidazolium)cyclophanes in the hybrids with metal (pseudo)halides or polyoxometalates","CrystEngComm","2018","20","44","7184","","10.1039/C8CE01372A","","x-ray","0.71073","MoKα","","0.0627","0.0438","","","0.1017","0.1125","","","","","","1.026","","","","has coordinates","228901","2020-10-21","18:00:00",""
"7231638","16.6035","0.0005","14.3351","0.0003","17.8354","0.0003","90","","95.774","0.002","90","","4223.52","0.17","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H44 Cu I4 N7 O -","- C39 H42 Cu I4 N7 O -","- C156 H168 Cu4 I16 N28 O4 -","4","1","","Wang, Fu-Rong; Li, Zi-Yan; Wei, Dong-Hui; Niu, Yun-Yin; Hou, Hong-Wei; Wu, Ben-Lai","The conformational behavior of multivalent tris(imidazolium)cyclophanes in the hybrids with metal (pseudo)halides or polyoxometalates","CrystEngComm","2018","20","44","7184","","10.1039/C8CE01372A","","x-ray","0.71073","MoKα","","0.082","0.0501","","","0.1127","0.1306","","","","","","1.021","","","","has coordinates,has disorder","228901","2020-10-21","18:00:00",""
"7231639","13.34926","0.00019","16.7927","0.0002","36.5631","0.0006","90","","90.0824","0.0013","90","","8196.3","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H42 I3 N7 -","- C39 H42 I3 N7 -","- C312 H336 I24 N56 -","8","2","","Wang, Fu-Rong; Li, Zi-Yan; Wei, Dong-Hui; Niu, Yun-Yin; Hou, Hong-Wei; Wu, Ben-Lai","The conformational behavior of multivalent tris(imidazolium)cyclophanes in the hybrids with metal (pseudo)halides or polyoxometalates","CrystEngComm","2018","20","44","7184","","10.1039/C8CE01372A","","x-ray","0.71073","MoKα","","0.1067","0.0771","","","0.2348","0.2618","","","","","","1.042","","","","has coordinates","228901","2020-10-21","18:00:00",""
"7231640","11.3449","0.0003","20.7592","0.0006","17.6129","0.0006","90","","90","","90","","4148","0.2","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C120 H162 Mo20 N24 O81 -","- C120 H162 Mo20 N24 O81 -","- C120 H162 Mo20 N24 O81 -","1","0.125","","Wang, Fu-Rong; Li, Zi-Yan; Wei, Dong-Hui; Niu, Yun-Yin; Hou, Hong-Wei; Wu, Ben-Lai","The conformational behavior of multivalent tris(imidazolium)cyclophanes in the hybrids with metal (pseudo)halides or polyoxometalates","CrystEngComm","2018","20","44","7184","","10.1039/C8CE01372A","","x-ray","1.54184","CuKα","","0.0387","0.0348","","","0.0879","0.0926","","","","","","1.053","","","","has coordinates,has disorder","228901","2020-10-21","18:00:00",""
"7231641","15.9746","0.0002","35.124","0.0005","16.4115","0.0002","90","","90","","90","","9208.4","0.2","293","2","293","2","","","","","","","","5","P n c a","-P 2a 2n","60","","","","- C41 H46 Br4.5 Cu1.5 N8 -","- C41 H46 Br4.5 Cu1.5 N8 -","- C328 H368 Br36 Cu12 N64 -","8","1","","Wang, Fu-Rong; Li, Zi-Yan; Wei, Dong-Hui; Niu, Yun-Yin; Hou, Hong-Wei; Wu, Ben-Lai","The conformational behavior of multivalent tris(imidazolium)cyclophanes in the hybrids with metal (pseudo)halides or polyoxometalates","CrystEngComm","2018","20","44","7184","","10.1039/C8CE01372A","","x-ray","1.54184","CuKα","","0.1331","0.1272","","","0.3477","0.3506","","","","","","1.107","","","","has coordinates","228901","2020-10-21","18:00:00",""
"7231642","11.9515","0.0015","4.8375","0.0006","22.198","0.003","90","","103.424","0.002","90","","1248.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","N-(2-((2-mercaptoethyl)amino)ethyl)-1-methyl-1H-imidazole -2-carboxamido nickel(II)","N-(2-((2-mercaptoethyl)amino)ethyl)-1-methyl-1H-imidazole -2-carboxamido nickel(II)","","- C9 H16 N4 Ni O2 S -","- C9 H16 N4 Ni O2 S -","- C36 H64 N16 Ni4 O8 S4 -","4","1","","Saraei, Nina; Hietsoi, Oleksandr; Mullins, Christopher S.; Gupta, Alexander J.; Frye, Brian C.; Mashuta, Mark S.; Buchanan, Robert M.; Grapperhaus, Craig A.","Streams, cascades, and pools: various water cluster motifs in structurally similar Ni(ii) complexes","CrystEngComm","2018","20","44","7071","","10.1039/C8CE01153B","","","0.71073","MoKα","","0.0472","0.0449","","","0.1148","0.1164","","","","","","1.083","","","","has coordinates","228905","2020-10-21","18:00:00",""
"7231643","9.1756","0.0019","10.59","0.002","9.4434","0.0019","90","","98.876","0.003","90","","906.6","0.3","100","2","100","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","Bis-(N-(2-aminoethyl)-1-methyl-1H-imidazole-2-carboxamido) nickel(II)","Bis-(N-(2-aminoethyl)-1-methyl-1H-imidazole-2-carboxamido) nickel(II)","","- C14 H24 N8 Ni O3 -","- C14 H24 N8 Ni O3 -","- C28 H48 N16 Ni2 O6 -","2","0.5","","Saraei, Nina; Hietsoi, Oleksandr; Mullins, Christopher S.; Gupta, Alexander J.; Frye, Brian C.; Mashuta, Mark S.; Buchanan, Robert M.; Grapperhaus, Craig A.","Streams, cascades, and pools: various water cluster motifs in structurally similar Ni(ii) complexes","CrystEngComm","2018","20","44","7071","","10.1039/C8CE01153B","","","0.71073","MoKα","","0.0222","0.0219","","","0.0567","0.0569","","","","","","1.008","","","","has coordinates","228905","2020-10-21","18:00:00",""
"7231644","6.8975","0.0018","9.13","0.002","12.645","0.003","92.821","0.004","92.276","0.004","104.339","0.004","769.5","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","1-methyl-N-(2-((4-oxopentan-2-ylidene)amino)ethyl)-1H-imidazole-2-carboxamido nickel(II)","1-methyl-N-(2-((4-oxopentan-2-ylidene)amino)ethyl)-1H-imidazole-2-carboxamido nickel(II)","","- C12 H22 N4 Ni O5 -","- C12 H22 N4 Ni O5 -","- C24 H44 N8 Ni2 O10 -","2","1","","Saraei, Nina; Hietsoi, Oleksandr; Mullins, Christopher S.; Gupta, Alexander J.; Frye, Brian C.; Mashuta, Mark S.; Buchanan, Robert M.; Grapperhaus, Craig A.","Streams, cascades, and pools: various water cluster motifs in structurally similar Ni(ii) complexes","CrystEngComm","2018","20","44","7071","","10.1039/C8CE01153B","","","0.71073","MoKα","","0.0356","0.028","","","0.0579","0.0588","","","","","","1.052","","","","has coordinates","228905","2020-10-21","18:00:00",""
"7231645","9.2792","0.0006","13.6005","0.0008","21.724","0.0013","90","","95.37","0.001","90","","2729.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1-methyl-(methyl-(3-(2-ethyl)imino)butanoate) -1H-imidazole-2-carboxamido nickel(II)","1-methyl-(methyl-(3-(2-ethyl)imino)butanoate) -1H-imidazole-2-carboxamido nickel(II)","","- C12 H18 N4 Ni O4 -","- C12 H18 N4 Ni O4 -","- C96 H144 N32 Ni8 O32 -","8","2","","Saraei, Nina; Hietsoi, Oleksandr; Mullins, Christopher S.; Gupta, Alexander J.; Frye, Brian C.; Mashuta, Mark S.; Buchanan, Robert M.; Grapperhaus, Craig A.","Streams, cascades, and pools: various water cluster motifs in structurally similar Ni(ii) complexes","CrystEngComm","2018","20","44","7071","","10.1039/C8CE01153B","","","0.71073","MoKα","","0.0561","0.0364","","","0.0593","0.0628","","","","","","1.057","","","","has coordinates","228905","2020-10-21","18:00:00",""
"7231646","12.8048","0.0009","13.6116","0.0009","15.3227","0.0011","79.826","0.002","74.283","0.002","65.695","0.002","2336.5","0.3","296.15","","296.15","","","","","","","","","9","P -1","-P 1","2","","","","- C10 H22 Ce4 K4 N2 Na4 O98 Si2 W18 -","- C10 H22 Ce4 K4 N2 Na4 O98 Si2 W18 -","- C10 H22 Ce4 K4 N2 Na4 O98 Si2 W18 -","1","0.5","","Dufaye, Maxime; Duval, Sylvain; Nursiah, Kelvinraj; Stoclet, Gregory; Trivelli, Xavier; Loiseau, Thierry","Bottom-up synthesis of functionalized {Ce4(SiW9O34)2(l)2} polyoxometalates","CrystEngComm","2018","20","44","7144","","10.1039/C8CE01447G","","x-ray","0.71073","MoKα","","0.0342","0.0288","","","0.0828","0.0859","","","","","","1.035","","","","has coordinates","287753","2023-11-23","09:34:45",""
"7231647","13.209","0.0007","12.8421","0.0006","28.4056","0.0014","90","","98.754","0.003","90","","4762.3","0.4","100.01","","100.01","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C10 H13 Ce4 Cs2.5 Na7.5 O101 Si2 W18 -","- C10 H13 Ce4 Cs2.5 Na7.5 O101 Si2 W18 -","- C20 H26 Ce8 Cs5 Na15 O202 Si4 W36 -","2","0.5","","Dufaye, Maxime; Duval, Sylvain; Nursiah, Kelvinraj; Stoclet, Gregory; Trivelli, Xavier; Loiseau, Thierry","Bottom-up synthesis of functionalized {Ce4(SiW9O34)2(l)2} polyoxometalates","CrystEngComm","2018","20","44","7144","","10.1039/C8CE01447G","","","0.71073","MoKα","","0.0653","0.0637","","","0.1934","0.1963","","","","","","1.104","","","","has coordinates","290444","2024-03-12","09:55:31",""
"7231648","12.7662","0.0004","13.7583","0.0005","15.2105","0.0006","79.276","0.0019","75.0343","0.0017","65.2698","0.0015","2334.97","0.15","99.99","","99.99","","","","","","","","","8","P -1","-P 1","2","","","","- C12 H42 Ce4 N6 Na4 O94.7 Si2 W18 -","- C12 H42 Ce4 N6 Na4 O94.7 Si2 W18 -","- C12 H42 Ce4 N6 Na4 O94.7 Si2 W18 -","1","0.5","","Dufaye, Maxime; Duval, Sylvain; Nursiah, Kelvinraj; Stoclet, Gregory; Trivelli, Xavier; Loiseau, Thierry","Bottom-up synthesis of functionalized {Ce4(SiW9O34)2(l)2} polyoxometalates","CrystEngComm","2018","20","44","7144","","10.1039/C8CE01447G","","x-ray","0.71073","MoKα","","0.0337","0.0262","","","0.0586","0.0612","","","","","","1.019","","","","has coordinates","287753","2023-11-23","09:34:45",""
"7231649","18.741","0.0011","21.5447","0.0012","30.606","0.0016","70.021","0.003","86.051","0.003","66.33","0.003","10603.4","1.1","100.01","","100.01","","","","","","","","","6","P -1","-P 1","2","","","","- Ce9 Cs3.25 Na7 O182.25 Si4 W36 -","- Ce9 Cs3.25 Na7 O182.25 Si4 W36 -","- Ce18 Cs6.5 Na14 O364.5 Si8 W72 -","2","1","","Dufaye, Maxime; Duval, Sylvain; Nursiah, Kelvinraj; Stoclet, Gregory; Trivelli, Xavier; Loiseau, Thierry","Bottom-up synthesis of functionalized {Ce4(SiW9O34)2(l)2} polyoxometalates","CrystEngComm","2018","20","44","7144","","10.1039/C8CE01447G","","x-ray","0.71073","MoKα","","0.1097","0.0658","","","0.1511","0.1874","","","","","","1.08","","","","has coordinates,has disorder","228904","2020-10-21","18:00:00",""
"7231650","13.5499","0.0003","12.9776","0.0003","26.9266","0.0006","90","","98.2429","0.0013","90","","4686","0.18","100.02","","100.02","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C8 H10 Ce4 Na10 O106 Si2 W18 -","- C8 H10 Ce4 Na10 O106 Si2 W18 -","- C16 H20 Ce8 Na20 O212 Si4 W36 -","2","0.5","","Dufaye, Maxime; Duval, Sylvain; Nursiah, Kelvinraj; Stoclet, Gregory; Trivelli, Xavier; Loiseau, Thierry","Bottom-up synthesis of functionalized {Ce4(SiW9O34)2(l)2} polyoxometalates","CrystEngComm","2018","20","44","7144","","10.1039/C8CE01447G","","x-ray","0.71073","MoKα","","0.0411","0.0291","","","0.0532","0.0561","","","","","","1.052","","","","has coordinates,has disorder","290444","2024-03-12","09:55:31",""
"7231662","11.7255","0.0006","8.2616","0.0006","10.4236","0.0007","90","","90","","90","","1009.75","0.11","223","2","223","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C7 H14 Cl N O5 -","- C7 H14 Cl N O5 -","- C28 H56 Cl4 N4 O20 -","4","0.5","","Fan, Guang-Meng; Gao, Ji-Xing; Shi, Chao; Yu, Hui; Ye, Le; Jiang, Jia-Ying; Shuai, Cijun; Zhang, Yi; Ye, Heng-Yun","[C7H14NO][ClO4]: order‒disorder structural change induced sudden switchable dielectric behaviour at room temperature","CrystEngComm","2018","20","44","7058","","10.1039/C8CE01461B","","","0.71073","MoKα","","0.1009","0.0956","","","0.3086","0.3265","","","","","","1.11","","","","has coordinates","228903","2020-10-21","18:00:00",""
"7231663","6.4782","0.0008","6.4782","0.0008","6.4782","0.0008","90","","90","","90","","271.87","0.06","353","2","353","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C7 H14 Cl N O5 -","- C9.6 Cl O3.9996 -","- C9.6 Cl O3.9996 -","1","0.0208333","","Fan, Guang-Meng; Gao, Ji-Xing; Shi, Chao; Yu, Hui; Ye, Le; Jiang, Jia-Ying; Shuai, Cijun; Zhang, Yi; Ye, Heng-Yun","[C7H14NO][ClO4]: order‒disorder structural change induced sudden switchable dielectric behaviour at room temperature","CrystEngComm","2018","20","44","7058","","10.1039/C8CE01461B","","","0.71073","MoKα","","0.1864","0.1552","","","0.3544","0.3987","","","","","","1.258","","","","has coordinates","228903","2020-10-21","18:00:00",""
"7231664","21.635","0.006","22.749","0.006","36.225","0.01","72.345","0.006","81.085","0.007","65.911","0.006","15500","7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C232 H376 N16 O168 Ti32 -","- C202 H268 N16 O138 Ti32 -","- C404 H536 N32 O276 Ti64 -","2","1","","Wang, Xiangxiang; Gui, Daxiang; Zhai, Fuwan; Li, Hui; Wang, Xia; Wang, Yanlong; Chen, Lanhua; Zheng, Tao; Chai, Zhifang; Wang, Shuao","Single-crystal-to-single-crystal desolvation in a Ti32 nanoring cluster","CrystEngComm","2018","20","44","7062","","10.1039/C8CE00717A","","","0.71073","MoKα","","0.0764","0.06","","","0.164","0.1797","","","","","","1.025","","","","has coordinates","228906","2020-10-21","18:00:00",""
"7231665","21.009","0.01","23.513","0.015","44.73","0.02","81.041","0.012","79.236","0.006","66.339","0.011","19802","18","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C319 H608 N16 O197 Ti32 -","- C202 H266 N16 O138 Ti32 -","- C404 H532 N32 O276 Ti64 -","2","1","","Wang, Xiangxiang; Gui, Daxiang; Zhai, Fuwan; Li, Hui; Wang, Xia; Wang, Yanlong; Chen, Lanhua; Zheng, Tao; Chai, Zhifang; Wang, Shuao","Single-crystal-to-single-crystal desolvation in a Ti32 nanoring cluster","CrystEngComm","2018","20","44","7062","","10.1039/C8CE00717A","","","0.71073","MoKα","","0.1187","0.0895","","","0.2524","0.2795","","","","","","1.048","","","","has coordinates,has disorder","228906","2020-10-21","18:00:00",""
"7231678","25.132","0.002","13.226","0.0008","15.163","0.0009","90","","99.288","0.005","90","","4974","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","zju-41","","- C21 H6 Eu2 N3 O18 -","- C21 H6 Eu2 N3 O18 -","- C84 H24 Eu8 N12 O72 -","4","0.5","","Zhao, Dian; Wang, Huizhen; Qian, Guodong","Synthesis, structure and temperature sensing of a lanthanide-organic framework constructed from a pyridine-containing tetracarboxylic acid ligand","CrystEngComm","2018","20","45","7395","","10.1039/C8CE01649F","","","0.71073","MoKα","","0.1143","0.1069","","","0.3163","0.3246","","","","","","1.083","","","","has coordinates","229135","2020-10-21","18:00:00",""
"7231679","15.8498","0.0012","16.1591","0.0013","23.6701","0.0017","97.696","0.002","92.686","0.002","112.973","0.002","5498.5","0.7","150.15","","150.15","","","","","","","","","5","P -1","-P 1","2","","","","- C90 H58 Co3 N8 O18 -","- C90 H58 Co3 N8 O18 -","- C180 H116 Co6 N16 O36 -","2","1","","Zhang, Jie; Gao, Ling-Ling; Zhai, Li-jun; Wang, Xiao-Qing; Fan, Li-Ming; Hu, Tuo-Ping","Gas adsorption, magnetic, and fluorescent sensing properties of four coordination polymers based on 1,3,5-tris(4-carbonylphenyloxy)benzene and bis(imidazole) linkers","CrystEngComm","2018","20","47","7666","","10.1039/C8CE01421C","","","0.71073","MoKα","","0.1265","0.0715","","","0.1448","0.1673","","","","","","1.024","","","","has coordinates","229040","2020-10-21","18:00:00",""
"7231680","10.2058","0.0005","17.9059","0.0009","14.6501","0.0008","90","","91.812","0.004","90","","2675.9","0.2","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H38 Fe N2 P2 Pb -","- C25 H38 Fe N2 P2 Pb -","- C100 H152 Fe4 N8 P8 Pb4 -","4","1","","Zhang, Jie; Gao, Ling-Ling; Zhai, Li-jun; Wang, Xiao-Qing; Fan, Li-Ming; Hu, Tuo-Ping","Gas adsorption, magnetic, and fluorescent sensing properties of four coordination polymers based on 1,3,5-tris(4-carbonylphenyloxy)benzene and bis(imidazole) linkers","CrystEngComm","2018","20","47","7666","","10.1039/C8CE01421C","","x-ray","0.71073","MoKα","","0.0569","0.039","","","0.0861","0.0942","","","","","","1.068","","","","has coordinates","229040","2020-10-21","18:00:00",""
"7231681","10.9718","0.0003","17.9451","0.0006","14.1019","0.0005","90","","101.232","0.002","90","","2723.34","0.15","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H38 Fe N2 P2 Si -","- C25 H38 Fe N2 P2 Si -","- C100 H152 Fe4 N8 P8 Si4 -","4","1","","Zhang, Jie; Gao, Ling-Ling; Zhai, Li-jun; Wang, Xiao-Qing; Fan, Li-Ming; Hu, Tuo-Ping","Gas adsorption, magnetic, and fluorescent sensing properties of four coordination polymers based on 1,3,5-tris(4-carbonylphenyloxy)benzene and bis(imidazole) linkers","CrystEngComm","2018","20","47","7666","","10.1039/C8CE01421C","","x-ray","0.71073","MoKα","","0.0666","0.0479","","","0.1173","0.1275","","","","","","1.04","","","","has coordinates,has disorder","229040","2020-10-21","18:00:00",""
"7231682","65.582","0.004","30.419","0.002","16.9367","0.001","90","","90.001","0.001","90","","33788","4","150.15","","150.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C188 H132 Cd6 N16 O42 -","- C188 H132 Cd6 N16 O42 -","- C1504 H1056 Cd48 N128 O336 -","8","1","","Zhang, Jie; Gao, Ling-Ling; Zhai, Li-jun; Wang, Xiao-Qing; Fan, Li-Ming; Hu, Tuo-Ping","Gas adsorption, magnetic, and fluorescent sensing properties of four coordination polymers based on 1,3,5-tris(4-carbonylphenyloxy)benzene and bis(imidazole) linkers","CrystEngComm","2018","20","47","7666","","10.1039/C8CE01421C","","","0.71073","MoKα","","0.1337","0.087","","","0.1907","0.2232","","","","","","1.077","","","","has coordinates,has disorder","229040","2020-10-21","18:00:00",""
"7231686","13.1669","0.0007","6.3974","0.0004","10.7817","0.0006","90","","90.605","0.001","90","","908.13","0.09","150","2","150","2","","","","","","","","4","P 1 c 1","P -2yc","7","sarcosine peroxosolvate","N-methylglycine peroxosolvate","","- C3 H9 N O4 -","- C3 H9 N O4 -","- C18 H54 N6 O24 -","6","3","","Navasardyan, Mger A.; Grishanov, Dmitry A.; Tripol'skaya, Tatiana A.; Kuz'mina, Lyudmila G.; Prikhodchenko, Petr V.; Churakov, Andrei V.","Crystal structures of non-proteinogenic amino acid peroxosolvates: rare example of H-bonded hydrogen peroxide chains","CrystEngComm","2018","20","46","7413","","10.1039/C8CE01486H","","","0.71073","MoKα","","0.0249","0.0243","","","0.0662","0.0669","","","","","","1.047","","","","has coordinates","229026","2020-10-21","18:00:00",""
"7231687","18.7167","0.0005","18.7167","0.0005","5.7741","0.0003","90","","90","","90","","2022.75","0.13","150","2","150","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","3-phenylserine peroxosolvate","","- C9 H13 N O5 -","- C9 H13 N O5 -","- C72 H104 N8 O40 -","8","1","","Navasardyan, Mger A.; Grishanov, Dmitry A.; Tripol'skaya, Tatiana A.; Kuz'mina, Lyudmila G.; Prikhodchenko, Petr V.; Churakov, Andrei V.","Crystal structures of non-proteinogenic amino acid peroxosolvates: rare example of H-bonded hydrogen peroxide chains","CrystEngComm","2018","20","46","7413","","10.1039/C8CE01486H","","","0.71073","MoKα","","0.0368","0.0299","","","0.0741","0.0778","","","","","","1.055","","","","has coordinates","229026","2020-10-21","18:00:00",""
"7231701","7.12752","0.00019","17.6661","0.0004","13.3872","0.0003","90","","93.272","0.003","90","","1682.91","0.07","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H9 Bi Br2 Cl4 N2 -","- C10 H9 Bi Br2 Cl4 N2 -","- C40 H36 Bi4 Br8 Cl16 N8 -","4","1","","Adonin, Sergey A.; Gorokh, Igor D.; Novikov, Alexander S.; Samsonenko, Denis G.; Yushina, Irina V.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halobismuthates with halopyridinium cations: appearance or non-appearance of unusual colouring","CrystEngComm","2018","20","48","7766","","10.1039/C8CE01749B","","x-ray","0.71073","MoKα","","0.038","0.0292","","","0.0564","0.0595","","","","","","1.061","","","","has coordinates","229047","2020-10-21","18:00:00",""
"7231702","21.9138","0.0009","8.3002","0.0003","11.1021","0.0004","90","","90","","90","","2019.35","0.13","130","2","130","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C12 H14 Bi Br2 Cl5 N2 -","- C12 H14 Bi Br2 Cl5 N2 -","- C48 H56 Bi4 Br8 Cl20 N8 -","4","0.5","","Adonin, Sergey A.; Gorokh, Igor D.; Novikov, Alexander S.; Samsonenko, Denis G.; Yushina, Irina V.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halobismuthates with halopyridinium cations: appearance or non-appearance of unusual colouring","CrystEngComm","2018","20","48","7766","","10.1039/C8CE01749B","","x-ray","0.71073","MoKα","","0.0329","0.0249","","","0.0495","0.0522","","","","","","1.05","","","","has coordinates","229047","2020-10-21","18:00:00",""
"7231703","9.1733","0.0003","10.5445","0.0003","10.733","0.0004","100.26","0.003","97.127","0.003","108.312","0.003","951.67","0.06","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H10 Bi Br7 N2 -","- C10 H10 Bi Br7 N2 -","- C20 H20 Bi2 Br14 N4 -","2","1","","Adonin, Sergey A.; Gorokh, Igor D.; Novikov, Alexander S.; Samsonenko, Denis G.; Yushina, Irina V.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halobismuthates with halopyridinium cations: appearance or non-appearance of unusual colouring","CrystEngComm","2018","20","48","7766","","10.1039/C8CE01749B","","x-ray","0.71073","MoKα","","0.039","0.0301","","","0.0525","0.056","","","","","","1.013","","","","has coordinates","229047","2020-10-21","18:00:00",""
"7231704","8.2817","0.0004","20.8514","0.0011","12.0986","0.0005","90","","90","","90","","2089.25","0.17","130","2","130","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C10 H12 Bi Br7 N2 O -","- C10 H10 Bi Br7 N2 O -","- C40 H40 Bi4 Br28 N8 O4 -","4","1","","Adonin, Sergey A.; Gorokh, Igor D.; Novikov, Alexander S.; Samsonenko, Denis G.; Yushina, Irina V.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halobismuthates with halopyridinium cations: appearance or non-appearance of unusual colouring","CrystEngComm","2018","20","48","7766","","10.1039/C8CE01749B","","x-ray","0.71073","MoKα","","0.0422","0.0384","","","0.0899","0.0929","","","","","","1.035","","","","has coordinates","229047","2020-10-21","18:00:00",""
"7231705","5.5707","0.0003","15.775","0.0008","10.517","0.0006","90","","104.307","0.005","90","","895.55","0.09","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Bi Br2 Cl5 N2 -","- C10 H10 Bi Br2 Cl5 N2 -","- C20 H20 Bi2 Br4 Cl10 N4 -","2","0.5","","Adonin, Sergey A.; Gorokh, Igor D.; Novikov, Alexander S.; Samsonenko, Denis G.; Yushina, Irina V.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halobismuthates with halopyridinium cations: appearance or non-appearance of unusual colouring","CrystEngComm","2018","20","48","7766","","10.1039/C8CE01749B","","x-ray","0.71073","MoKα","","0.0465","0.0353","","","0.0762","0.0814","","","","","","1.051","","","","has coordinates","229047","2020-10-21","18:00:00",""
"7231706","9.322","0.0003","20.3199","0.0007","9.6981","0.0003","90","","100.515","0.003","90","","1806.19","0.1","130","2","130","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H21 Bi2 Br12 N3 O3 -","- C15 H15 Bi2 Br12 N3 O3 -","- C30 H30 Bi4 Br24 N6 O6 -","2","1","","Adonin, Sergey A.; Gorokh, Igor D.; Novikov, Alexander S.; Samsonenko, Denis G.; Yushina, Irina V.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halobismuthates with halopyridinium cations: appearance or non-appearance of unusual colouring","CrystEngComm","2018","20","48","7766","","10.1039/C8CE01749B","","x-ray","0.71073","MoKα","","0.0479","0.0423","","","0.0845","0.0883","","","","","","1","","","","has coordinates","229047","2020-10-21","18:00:00",""
"7231707","8.1878","0.0007","12.1235","0.0009","19.5314","0.0015","90","","99.969","0.008","90","","1909.5","0.3","130","2","130","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H25 Bi2 Br12 N3 O2 -","- C18 H21 Bi2 Br12 N3 O2 -","- C36 H42 Bi4 Br24 N6 O4 -","2","1","","Adonin, Sergey A.; Gorokh, Igor D.; Novikov, Alexander S.; Samsonenko, Denis G.; Yushina, Irina V.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halobismuthates with halopyridinium cations: appearance or non-appearance of unusual colouring","CrystEngComm","2018","20","48","7766","","10.1039/C8CE01749B","","x-ray","0.71073","MoKα","","0.0533","0.0481","","","0.0991","0.105","","","","","","1.078","","","","has coordinates","229047","2020-10-21","18:00:00",""
"7231708","11.5904","0.0007","7.6333","0.0004","21.9998","0.0011","90","","96.548","0.005","90","","1933.69","0.18","130","2","130","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C10 H12 Bi Br2 Cl5 N2 O -","- C10 H10 Bi Br2 Cl5 N2 O -","- C40 H40 Bi4 Br8 Cl20 N8 O4 -","4","1","","Adonin, Sergey A.; Gorokh, Igor D.; Novikov, Alexander S.; Samsonenko, Denis G.; Yushina, Irina V.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halobismuthates with halopyridinium cations: appearance or non-appearance of unusual colouring","CrystEngComm","2018","20","48","7766","","10.1039/C8CE01749B","","x-ray","0.71073","MoKα","","0.0431","0.0344","","","0.075","0.079","","","","","","1.1","","","","has coordinates","229047","2020-10-21","18:00:00",""
"7231709","8.8204","0.0004","10.4344","0.0004","10.4924","0.0004","99.47","0.003","97.092","0.004","108.757","0.004","885.7","0.07","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H20 Bi2 Br4 Cl10 N4 -","- C20 H20 Bi2 Br4 Cl10 N4 -","- C20 H20 Bi2 Br4 Cl10 N4 -","1","0.5","","Adonin, Sergey A.; Gorokh, Igor D.; Novikov, Alexander S.; Samsonenko, Denis G.; Yushina, Irina V.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halobismuthates with halopyridinium cations: appearance or non-appearance of unusual colouring","CrystEngComm","2018","20","48","7766","","10.1039/C8CE01749B","","x-ray","0.71073","MoKα","","0.0445","0.0363","","","0.0627","0.068","","","","","","1.03","","","","has coordinates","229047","2020-10-21","18:00:00",""
"7231711","13.407","0.005","14.365","0.005","35.826","0.013","90","","90","","90","","6900","4","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H68 N11 Ni7 O51 P W9 -","- C18 H31 N11 Ni7 O45 P W9 -","- C72 H124 N44 Ni28 O180 P4 W36 -","4","1","","Yin, Ying-Xue; Chen, Wei-Chao; Yao, Wei; Qin, Chao; Su, Zhong-Min","Steam-assisted assemblies of {Ni6PW9}-based inorganic‒organic hybrid chains: synthesis, crystal structures and properties","CrystEngComm","2018","20","46","7507","","10.1039/C8CE01669K","","","0.71073","MoKα","","0.0592","0.0436","","","0.0923","0.0989","","","","","","1.009","","","","has coordinates,has disorder","229028","2020-10-21","18:00:00",""
"7231712","12.947","0.003","20.737","0.005","22.751","0.004","97.442","0.01","90.63","0.009","93.308","0.01","6046","2","294","2","294","2","","","","","","","","8","P -1","-P 1","2","","","","- C18 H69 N10 Na Ni7 O91 P2 W21 -","- C18 H24 N10 Na Ni7 O91 P2 W21 -","- C36 H48 N20 Na2 Ni14 O182 P4 W42 -","2","1","","Yin, Ying-Xue; Chen, Wei-Chao; Yao, Wei; Qin, Chao; Su, Zhong-Min","Steam-assisted assemblies of {Ni6PW9}-based inorganic‒organic hybrid chains: synthesis, crystal structures and properties","CrystEngComm","2018","20","46","7507","","10.1039/C8CE01669K","","","0.71073","MoKα","","0.1247","0.0893","","","0.2191","0.2539","","","","","","1.03","","","","has coordinates","229028","2020-10-21","18:00:00",""
"7231713","13.28","0.004","19.351","0.006","23.254","0.007","90","","90","","90","","5976","3","296","2","296","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C12 H49 N6 Ni6 O50 P S W9 -","- C12 H20 N6 Ni6 O45 P S W9 -","- C48 H80 N24 Ni24 O180 P4 S4 W36 -","4","1","","Yin, Ying-Xue; Chen, Wei-Chao; Yao, Wei; Qin, Chao; Su, Zhong-Min","Steam-assisted assemblies of {Ni6PW9}-based inorganic‒organic hybrid chains: synthesis, crystal structures and properties","CrystEngComm","2018","20","46","7507","","10.1039/C8CE01669K","","","0.71073","MoKα","","0.068","0.0546","","","0.1364","0.1442","","","","","","1.023","","","","has coordinates","229028","2020-10-21","18:00:00",""
"7231714","8.9461","0.0006","16.1753","0.001","20.8774","0.0017","90","","100.396","0.008","90","","2971.5","0.4","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H88 Br2 Cl2 N6 O2 -","- C52 H88 Br2 Cl2 N6 O2 -","- C104 H176 Br4 Cl4 N12 O4 -","2","0.5","","Manna, Utsab; Das, Gopal","Halo-phenyl based linear dipodal receptors for entrapment of anions/anionic associations within neutral non-cooperative self-assemblies","CrystEngComm","2019","21","1","65","","10.1039/C8CE01558A","","","0.71073","MoKα","","0.1252","0.0655","","","0.1767","0.2168","","","","","","1.119","","","","has coordinates","223518","2020-10-21","18:00:00",""
"7231715","18.1061","0.0011","13.5141","0.0007","17.5192","0.0009","90","","111.113","0.006","90","","3999","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H104 Cl4 N10 O8 S -","- C72 H104 Cl4 N10 O8 S -","- C144 H208 Cl8 N20 O16 S2 -","2","0.5","","Manna, Utsab; Das, Gopal","Halo-phenyl based linear dipodal receptors for entrapment of anions/anionic associations within neutral non-cooperative self-assemblies","CrystEngComm","2019","21","1","65","","10.1039/C8CE01558A","","","0.71073","MoKα","","0.1186","0.0683","","","0.1422","0.1716","","","","","","1.082","","","","has coordinates","223518","2020-10-21","18:00:00",""
"7231716","9.0143","0.0006","15.6469","0.0017","21.0997","0.0015","90","","98.821","0.007","90","","2940.8","0.4","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H88 Br2 Cl2 N6 O2 -","- C52 H88 Br2 Cl2 N6 O2 -","- C104 H176 Br4 Cl4 N12 O4 -","2","0.5","","Manna, Utsab; Das, Gopal","Halo-phenyl based linear dipodal receptors for entrapment of anions/anionic associations within neutral non-cooperative self-assemblies","CrystEngComm","2019","21","1","65","","10.1039/C8CE01558A","","","0.71073","MoKα","","0.21","0.0818","","","0.185","0.2331","","","","","","1.154","","","","has coordinates","223518","2020-10-21","18:00:00",""
"7231717","13.2635","0.0009","16.5661","0.0012","28.231","0.003","90","","93.852","0.007","90","","6189","0.9","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H94 Br2 N6 O6 -","- C56 H94 Br2 N6 O6 -","- C224 H376 Br8 N24 O24 -","4","1","","Manna, Utsab; Das, Gopal","Halo-phenyl based linear dipodal receptors for entrapment of anions/anionic associations within neutral non-cooperative self-assemblies","CrystEngComm","2019","21","1","65","","10.1039/C8CE01558A","","","0.71073","MoKα","","0.2285","0.0743","","","0.156","0.2268","","","","","","1","","","","has coordinates","223518","2020-10-21","18:00:00",""
"7231718","13.2862","0.0006","16.574","0.0008","28.0803","0.0013","90","","93.874","0.005","90","","6169.3","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H94 Cl2 N6 O6 -","- C56 H94 Cl2 N6 O6 -","- C224 H376 Cl8 N24 O24 -","4","1","","Manna, Utsab; Das, Gopal","Halo-phenyl based linear dipodal receptors for entrapment of anions/anionic associations within neutral non-cooperative self-assemblies","CrystEngComm","2019","21","1","65","","10.1039/C8CE01558A","","","0.71073","MoKα","","0.1521","0.0797","","","0.1791","0.2165","","","","","","1.179","","","","has coordinates","223518","2020-10-21","18:00:00",""
"7231719","8.4539","0.0007","10.2145","0.0008","18.1488","0.0015","92.095","0.007","99.967","0.007","107.977","0.007","1461.4","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H90 Cl2 N6 O8 -","- C54 H90 Cl2 N6 O8 -","- C54 H90 Cl2 N6 O8 -","1","0.5","","Manna, Utsab; Das, Gopal","Halo-phenyl based linear dipodal receptors for entrapment of anions/anionic associations within neutral non-cooperative self-assemblies","CrystEngComm","2019","21","1","65","","10.1039/C8CE01558A","","","0.71073","MoKα","","0.1558","0.0853","","","0.2052","0.2478","","","","","","0.978","","","","has coordinates,has disorder","223518","2020-10-21","18:00:00",""
"7231720","8.9473","0.0016","16.101","0.004","21.153","0.004","90","","100.9","0.02","90","","2992.3","1.1","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H88 Br4 N6 O2 -","- C52 H88 Br4 N6 O2 -","- C104 H176 Br8 N12 O4 -","2","0.5","","Manna, Utsab; Das, Gopal","Halo-phenyl based linear dipodal receptors for entrapment of anions/anionic associations within neutral non-cooperative self-assemblies","CrystEngComm","2019","21","1","65","","10.1039/C8CE01558A","","","0.71073","MoKα","","0.1625","0.0777","","","0.1773","0.2301","","","","","","1.183","","","","has coordinates","223518","2020-10-21","18:00:00",""
"7231721","8.2364","0.0009","10.9069","0.0014","20.0064","0.0017","85.053","0.008","79.089","0.008","81.371","0.01","1741.7","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H104 Br2 N8 O12 S2 -","- C58 H104 Br2 N8 O12 S2 -","- C58 H104 Br2 N8 O12 S2 -","1","0.5","","Manna, Utsab; Das, Gopal","Halo-phenyl based linear dipodal receptors for entrapment of anions/anionic associations within neutral non-cooperative self-assemblies","CrystEngComm","2019","21","1","65","","10.1039/C8CE01558A","","","0.71073","MoKα","","0.2318","0.0922","","","0.1801","0.2317","","","","","","1.148","","","","has coordinates","223518","2020-10-21","18:00:00",""
"7231722","8.4459","0.0005","11.6202","0.001","15.6367","0.0011","82.597","0.007","83.548","0.005","86.964","0.006","1511.05","0.19","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H92 Cl2 N6 O10 P2 -","- C52 H92 Cl2 N6 O10 P2 -","- C52 H92 Cl2 N6 O10 P2 -","1","0.5","","Manna, Utsab; Das, Gopal","Halo-phenyl based linear dipodal receptors for entrapment of anions/anionic associations within neutral non-cooperative self-assemblies","CrystEngComm","2019","21","1","65","","10.1039/C8CE01558A","","","0.71073","MoKα","","0.0958","0.064","","","0.1684","0.2022","","","","","","0.871","","","","has coordinates","223518","2020-10-21","18:00:00",""
"7231723","6.1995","0.0013","10.621","0.002","10.8086","0.0017","73.54","0.016","87.889","0.015","74.954","0.018","658.6","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H11 Li O5 S -","- C12 H11 Li O5 S -","- C24 H22 Li2 O10 S2 -","2","1","","Li, Cheng; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Cooperative effects of metal cations and coordination modes on luminescent s-block metal‒organic complexes constructed from V-shaped 4,4′-sulfonyldiphenol","CrystEngComm","2018","20","46","7513","","10.1039/C8CE01591K","","","0.71073","MoKα","","0.0923","0.0807","","","0.1947","0.2114","","","","","","1.034","","","","has coordinates","229030","2020-10-21","18:00:00",""
"7231724","23.135","0.002","18.519","0.002","5.9607","0.0006","90","","90","","90","","2553.8","0.4","295","2","295","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H21 K O9 S2 -","- C24 H21 K O9 S2 -","- C96 H84 K4 O36 S8 -","4","1","","Li, Cheng; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Cooperative effects of metal cations and coordination modes on luminescent s-block metal‒organic complexes constructed from V-shaped 4,4′-sulfonyldiphenol","CrystEngComm","2018","20","46","7513","","10.1039/C8CE01591K","","","0.71073","MoKα","","0.0805","0.0578","","","0.0996","0.112","","","","","","1.053","","","","has coordinates","229030","2020-10-21","18:00:00",""
"7231725","5.8453","0.0004","20.2492","0.0013","16.2705","0.0015","90","","98.81","0.007","90","","1903.1","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 Cs O6 S -","- C15 H19 Cs O6 S -","- C60 H76 Cs4 O24 S4 -","4","1","","Li, Cheng; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Cooperative effects of metal cations and coordination modes on luminescent s-block metal‒organic complexes constructed from V-shaped 4,4′-sulfonyldiphenol","CrystEngComm","2018","20","46","7513","","10.1039/C8CE01591K","","","0.71073","MoKα","","0.0903","0.0637","","","0.1746","0.1977","","","","","","1.023","","","","has coordinates","229030","2020-10-21","18:00:00",""
"7231726","5.8479","0.0008","19.8676","0.0018","15.163","0.002","90","","94.894","0.014","90","","1755.3","0.4","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H17 Cs O6 S -","- C14 H15 Cs O6 S -","- C56 H60 Cs4 O24 S4 -","4","1","","Li, Cheng; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Cooperative effects of metal cations and coordination modes on luminescent s-block metal‒organic complexes constructed from V-shaped 4,4′-sulfonyldiphenol","CrystEngComm","2018","20","46","7513","","10.1039/C8CE01591K","","","0.71073","MoKα","","0.0978","0.0706","","","0.1571","0.1808","","","","","","1.081","","","","has coordinates,has disorder","229030","2020-10-21","18:00:00",""
"7231727","10.415","0.0006","20.769","0.0011","6.1304","0.0004","90","","90.375","0.006","90","","1326.03","0.14","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 Na O5 S -","- C12 H11 Na O5 S -","- C48 H44 Na4 O20 S4 -","4","1","","Li, Cheng; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Cooperative effects of metal cations and coordination modes on luminescent s-block metal‒organic complexes constructed from V-shaped 4,4′-sulfonyldiphenol","CrystEngComm","2018","20","46","7513","","10.1039/C8CE01591K","","","0.71073","MoKα","","0.0732","0.0674","","","0.1706","0.1732","","","","","","1.058","","","","has coordinates","229030","2020-10-21","18:00:00",""
"7231728","12.4476","0.0009","13.9099","0.0008","7.1","0.0005","90","","90","","90","","1229.33","0.14","295","2","295","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C12 H8 Ca O4 S -","- C12 H8 Ca O4 S -","- C48 H32 Ca4 O16 S4 -","4","0.25","","Li, Cheng; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Cooperative effects of metal cations and coordination modes on luminescent s-block metal‒organic complexes constructed from V-shaped 4,4′-sulfonyldiphenol","CrystEngComm","2018","20","46","7513","","10.1039/C8CE01591K","","","0.71073","MoKα","","0.0544","0.0462","","","0.1593","0.1659","","","","","","1.05","","","","has coordinates","229030","2020-10-21","18:00:00",""
"7231729","13.1788","0.0005","13.052","0.0003","25.6276","0.0009","90","","103.014","0.004","90","","4295","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 Mg O22 S3 -","- C36 H48 Mg O22 S3 -","- C144 H192 Mg4 O88 S12 -","4","1","","Li, Cheng; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Cooperative effects of metal cations and coordination modes on luminescent s-block metal‒organic complexes constructed from V-shaped 4,4′-sulfonyldiphenol","CrystEngComm","2018","20","46","7513","","10.1039/C8CE01591K","","","0.71073","MoKα","","0.0948","0.066","","","0.1178","0.138","","","","","","1.017","","","","has coordinates","229030","2020-10-21","18:00:00",""
"7231730","5.6916","0.001","11.2202","0.0013","12.0632","0.0014","106.848","0.01","99.54","0.012","94.197","0.012","721.08","0.18","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H26 Ca O12 S2 -","- C24 H26 Ca O12 S2 -","- C24 H26 Ca O12 S2 -","1","0.5","","Li, Cheng; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Cooperative effects of metal cations and coordination modes on luminescent s-block metal‒organic complexes constructed from V-shaped 4,4′-sulfonyldiphenol","CrystEngComm","2018","20","46","7513","","10.1039/C8CE01591K","","","0.71073","MoKα","","0.0895","0.0652","","","0.1752","0.2001","","","","","","1.075","","","","has coordinates","229030","2020-10-21","18:00:00",""
"7231731","17.1688","0.001","17.1688","0.001","16.0605","0.0011","90","","90","","90","","4734.1","0.5","295","2","295","2","","","","","","","","5","I 4","I 4","79","","","","- C96 H76 Ba2 O32 S8 -","- C96 H76 Ba2 O32 S8 -","- C192 H152 Ba4 O64 S16 -","2","0.25","","Li, Cheng; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Cooperative effects of metal cations and coordination modes on luminescent s-block metal‒organic complexes constructed from V-shaped 4,4′-sulfonyldiphenol","CrystEngComm","2018","20","46","7513","","10.1039/C8CE01591K","","","0.71073","MoKα","","0.0861","0.0845","","","0.2259","0.2279","","","","","","1.062","","","","has coordinates","229030","2020-10-21","18:00:00",""
"7231732","20.2502","0.0009","5.6487","0.0002","26.7408","0.0011","90","","111.037","0.005","90","","2854.9","0.2","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H26 Ba2 O11 S2 -","- C26 H26 Ba2 O11 S2 -","- C104 H104 Ba8 O44 S8 -","4","0.5","","Li, Cheng; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Cooperative effects of metal cations and coordination modes on luminescent s-block metal‒organic complexes constructed from V-shaped 4,4′-sulfonyldiphenol","CrystEngComm","2018","20","46","7513","","10.1039/C8CE01591K","","","0.71073","MoKα","","0.0385","0.0325","","","0.0683","0.0718","","","","","","1.072","","","","has coordinates,has disorder","229030","2020-10-21","18:00:00",""
"7231733","5.6083","0.0003","18.9927","0.0013","13.8433","0.0009","90","","93.795","0.005","90","","1471.31","0.16","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 O6 S Sr -","- C12 H12 O6 S Sr -","- C48 H48 O24 S4 Sr4 -","4","1","","Li, Cheng; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Cooperative effects of metal cations and coordination modes on luminescent s-block metal‒organic complexes constructed from V-shaped 4,4′-sulfonyldiphenol","CrystEngComm","2018","20","46","7513","","10.1039/C8CE01591K","","","0.71073","MoKα","","0.0852","0.0533","","","0.1136","0.1397","","","","","","1.053","","","","has coordinates,has disorder","229030","2020-10-21","18:00:00",""
"7231734","16.9794","0.0008","16.9794","0.0008","15.815","0.0011","90","","90","","90","","4559.5","0.4","295","2","295","2","","","","","","","","5","I 4","I 4","79","","","","- C96 H76 O32 S8 Sr2 -","- C96 H76 O32 S8 Sr2 -","- C192 H152 O64 S16 Sr4 -","2","0.25","","Li, Cheng; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Cooperative effects of metal cations and coordination modes on luminescent s-block metal‒organic complexes constructed from V-shaped 4,4′-sulfonyldiphenol","CrystEngComm","2018","20","46","7513","","10.1039/C8CE01591K","","","0.71073","MoKα","","0.0959","0.0623","","","0.1501","0.1708","","","","","","1.004","","","","has coordinates","229030","2020-10-21","18:00:00",""
"7231735","5.9689","0.0003","18.6102","0.0007","11.605","0.0006","90","","94.291","0.004","90","","1285.5","0.1","295","2","295","2","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C12 H10 Mg O5 S -","- C12 H10 Mg O5 S -","- C48 H40 Mg4 O20 S4 -","4","0.5","","Li, Cheng; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Cooperative effects of metal cations and coordination modes on luminescent s-block metal‒organic complexes constructed from V-shaped 4,4′-sulfonyldiphenol","CrystEngComm","2018","20","46","7513","","10.1039/C8CE01591K","","","0.71073","MoKα","","0.0515","0.0382","","","0.091","0.0993","","","","","","1.025","","","","has coordinates","229030","2020-10-21","18:00:00",""
"7231736","28.861","0.006","9.191","0.002","17.149","0.003","90","","111.76","0.03","90","","4224.8","1.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H14 Hg N6 O S2 -","- C20 H14 Hg N6 O S2 -","- C160 H112 Hg8 N48 O8 S16 -","8","1","","Mahmoudi, Ghodrat; Khandar, Ali Akbar; Afkhami, Farhad Akbari; Miroslaw, Barbara; Gurbanov, Atash V.; Zubkov, Fedor I.; Kennedy, Alan; Franconetti, Antonio; Frontera, Antonio","Modulation of coordination in pincer-type isonicotinohydrazone Schiff base ligands by proton transfer","CrystEngComm","2019","21","1","108","","10.1039/C8CE01580E","","","0.71073","MoKα","","0.0561","0.0366","","","0.083","0.088","","","","","","0.8291","","","","has coordinates","223522","2020-10-21","18:00:00",""
"7231737","12.9176","0.0003","7.7756","0.0002","17.4321","0.0004","90","","93.026","0.001","90","","1748.48","0.07","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 Hg N6 O S2 -","- C15 H12 Hg N6 O S2 -","- C60 H48 Hg4 N24 O4 S8 -","4","1","","Mahmoudi, Ghodrat; Khandar, Ali Akbar; Afkhami, Farhad Akbari; Miroslaw, Barbara; Gurbanov, Atash V.; Zubkov, Fedor I.; Kennedy, Alan; Franconetti, Antonio; Frontera, Antonio","Modulation of coordination in pincer-type isonicotinohydrazone Schiff base ligands by proton transfer","CrystEngComm","2019","21","1","108","","10.1039/C8CE01580E","","","0.71073","MoKα","","0.046","0.0256","","","0.0441","0.0497","","","","","","0.9895","","","","has coordinates","223522","2020-10-21","18:00:00",""
"7231738","7.3825","0.0004","8.417","0.0004","8.8371","0.0004","113.255","0.001","105.18","0.001","95.99","0.002","473.36","0.04","183","2","183","2","","","","","","","","4","P -1","-P 1","2","","3-(3-methylimidazolium-1-yl)propanoate dihydrate","","- C7 H14 N2 O4 -","- C7 H14 N2 O4 -","- C14 H28 N4 O8 -","2","1","","Braun, Doris E.; Lampl, Martin; Wurst, Klaus; Kahlenberg, Volker; Griesser, Ulrich J.; Schottenberger, Herwig","Computational and analytical approaches for investigating hydrates: the neat and hydrated solid-state forms of 3-(3-methylimidazolium-1-yl)propanoate","CrystEngComm","2018","20","48","7826","","10.1039/C8CE01565A","","x-ray","0.71073","MoKα","","0.0373","0.0342","","","0.0911","0.0937","","","","","","1.073","","","","has coordinates","229048","2020-10-21","18:00:00",""
"7231739","6.6643","0.0004","8.7065","0.0005","12.8","0.0008","90","","90","","90","","742.69","0.08","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-(3-methylimidazolium-1-yl)propanoate","","- C7 H10 N2 O2 -","- C7 H10 N2 O2 -","- C28 H40 N8 O8 -","4","1","","Braun, Doris E.; Lampl, Martin; Wurst, Klaus; Kahlenberg, Volker; Griesser, Ulrich J.; Schottenberger, Herwig","Computational and analytical approaches for investigating hydrates: the neat and hydrated solid-state forms of 3-(3-methylimidazolium-1-yl)propanoate","CrystEngComm","2018","20","48","7826","","10.1039/C8CE01565A","","x-ray","0.71073","MoKα","","0.0274","0.0266","","","0.0707","0.0712","","","","","","1.087","","","","has coordinates","229048","2020-10-21","18:00:00",""
"7231740","7.7258","0.0007","12.6758","0.0012","8.8421","0.0009","90","","105.55","0.01","90","","834.22","0.14","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(3-methylimidazolium-1-yl)propanoate monohydrate","","- C7 H12 N2 O3 -","- C7 H12 N2 O3 -","- C28 H48 N8 O12 -","4","1","","Braun, Doris E.; Lampl, Martin; Wurst, Klaus; Kahlenberg, Volker; Griesser, Ulrich J.; Schottenberger, Herwig","Computational and analytical approaches for investigating hydrates: the neat and hydrated solid-state forms of 3-(3-methylimidazolium-1-yl)propanoate","CrystEngComm","2018","20","48","7826","","10.1039/C8CE01565A","","x-ray","0.71073","MoKα","","0.042","0.0337","","","0.0807","0.0855","","","","","","1.046","","","","has coordinates","229048","2020-10-21","18:00:00",""
"7231741","20.1911","0.0009","7.9146","0.0003","22.5627","0.0011","90","","92.268","0.002","90","","3602.8","0.3","183","2","183","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1 (2 carboxyethyl)-3-methylimidazolium chloride","","- C7 H11 Cl N2 O2 -","- C7 H11 Cl N2 O2 -","- C112 H176 Cl16 N32 O32 -","16","2","","Braun, Doris E.; Lampl, Martin; Wurst, Klaus; Kahlenberg, Volker; Griesser, Ulrich J.; Schottenberger, Herwig","Computational and analytical approaches for investigating hydrates: the neat and hydrated solid-state forms of 3-(3-methylimidazolium-1-yl)propanoate","CrystEngComm","2018","20","48","7826","","10.1039/C8CE01565A","","","0.71073","MoKα","","0.0292","0.0267","","","0.0715","0.0733","","","","","","1.033","","","","has coordinates","229048","2020-10-21","18:00:00",""
"7231742","11.454","0.002","16.08","0.003","13.689","0.002","90","","103.293","0.003","90","","2453.7","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H42 Eu2 N8 O14 -","- C50 H42 Eu2 N8 O14 -","- C100 H84 Eu4 N16 O28 -","2","0.5","","Lu, Yan-Na; Peng, Jun-Ling; Zhou, Xia; Wu, Jian-Zhong; Ou, Yong-Cong; Cai, Yue-Peng","Rapid naked-eye luminescence detection of carbonate ion through acetonitrile hydrolysis induced europium complexes","CrystEngComm","2018","20","46","7574","","10.1039/C8CE01414K","","","0.71073","MoKα","","0.0514","0.0355","","","0.0796","0.0873","","","","","","1.048","","","","has coordinates","229029","2020-10-21","18:00:00",""
"7231743","15.764","0.008","7.932","0.004","18.869","0.009","90","","91.802","0.008","90","","2358","2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H16 N5 O7 Tb -","- C23 H16 N5 O7 Tb -","- C92 H64 N20 O28 Tb4 -","4","1","","Lu, Yan-Na; Peng, Jun-Ling; Zhou, Xia; Wu, Jian-Zhong; Ou, Yong-Cong; Cai, Yue-Peng","Rapid naked-eye luminescence detection of carbonate ion through acetonitrile hydrolysis induced europium complexes","CrystEngComm","2018","20","46","7574","","10.1039/C8CE01414K","","","0.71073","MoKα","","0.0884","0.0537","","","0.1431","0.166","","","","","","1.037","","","","has coordinates","229029","2020-10-21","18:00:00",""
"7231744","11.4496","0.0019","16.139","0.003","13.595","0.002","90","","103.261","0.003","90","","2445.2","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H42 N8 O14 Tb2 -","- C50 H42 N8 O14 Tb2 -","- C100 H84 N16 O28 Tb4 -","2","0.5","","Lu, Yan-Na; Peng, Jun-Ling; Zhou, Xia; Wu, Jian-Zhong; Ou, Yong-Cong; Cai, Yue-Peng","Rapid naked-eye luminescence detection of carbonate ion through acetonitrile hydrolysis induced europium complexes","CrystEngComm","2018","20","46","7574","","10.1039/C8CE01414K","","","0.71073","MoKα","","0.0757","0.0415","","","0.0843","0.0975","","","","","","0.996","","","","has coordinates","229029","2020-10-21","18:00:00",""
"7231745","11.4127","0.0019","16.033","0.003","13.543","0.002","90","","103.302","0.003","90","","2411.6","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H42 Dy2 N8 O14 -","- C50 H42 Dy2 N8 O14 -","- C100 H84 Dy4 N16 O28 -","2","0.5","","Lu, Yan-Na; Peng, Jun-Ling; Zhou, Xia; Wu, Jian-Zhong; Ou, Yong-Cong; Cai, Yue-Peng","Rapid naked-eye luminescence detection of carbonate ion through acetonitrile hydrolysis induced europium complexes","CrystEngComm","2018","20","46","7574","","10.1039/C8CE01414K","","","0.71073","MoKα","","0.073","0.0416","","","0.0876","0.1017","","","","","","0.982","","","","has coordinates","229029","2020-10-21","18:00:00",""
"7231746","10.9477","0.0005","12.6996","0.0005","12.7984","0.0004","110.328","0.003","100.145","0.003","108.53","0.004","1497.64","0.13","296.62","0.1","296.62","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C32 H22 Cd N6 O8 -","- C32 H22 Cd N6 O8 -","- C64 H44 Cd2 N12 O16 -","2","1","","Li, Ziyin; Guo, Junzhi; Xiang, Fahui; Lin, Quanjie; Ye, Yingxiang; Zhang, Jindan; Chen, Shimin; Zhang, Zhangjing; Xiang, Shengchang","Photochromic naphthalene diimide Cd-MOFs based on different second dicarboxylic acid ligands","CrystEngComm","2018","20","46","7567","","10.1039/C8CE01667D","","x-ray","1.54184","CuKα","","0.0277","0.0242","","","0.0624","0.0647","","","","","","1.056","","","","has coordinates","229023","2020-10-21","18:00:00",""
"7231747","11.2419","0.0004","12.472","0.0004","12.7658","0.0004","112.81","0.003","98.524","0.003","107.333","0.003","1502.58","0.11","292.14","0.1","292.14","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C32 H20 Cd N7 O8 -","- C32 H20 Cd N7 O8 -","- C64 H40 Cd2 N14 O16 -","2","1","","Li, Ziyin; Guo, Junzhi; Xiang, Fahui; Lin, Quanjie; Ye, Yingxiang; Zhang, Jindan; Chen, Shimin; Zhang, Zhangjing; Xiang, Shengchang","Photochromic naphthalene diimide Cd-MOFs based on different second dicarboxylic acid ligands","CrystEngComm","2018","20","46","7567","","10.1039/C8CE01667D","","x-ray","0.71","MoKα","","0.0298","0.0277","","","0.0737","0.0753","","","","","","1.092","","","","has coordinates","229023","2020-10-21","18:00:00",""
"7231748","8.9688","0.0002","13.3571","0.0003","13.4352","0.0003","90","","102.071","0.002","90","","1573.91","0.06","296.61","0.1","296.61","0.1","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C36 H26 Cd N6 O9 -","- C36 H26 Cd N6 O9 -","- C72 H52 Cd2 N12 O18 -","2","1","","Li, Ziyin; Guo, Junzhi; Xiang, Fahui; Lin, Quanjie; Ye, Yingxiang; Zhang, Jindan; Chen, Shimin; Zhang, Zhangjing; Xiang, Shengchang","Photochromic naphthalene diimide Cd-MOFs based on different second dicarboxylic acid ligands","CrystEngComm","2018","20","46","7567","","10.1039/C8CE01667D","","x-ray","1.54184","CuKα","","0.0295","0.0257","","","0.0644","0.0677","","","","","","1.06","","","","has coordinates","229023","2020-10-21","18:00:00",""
"7231749","9.66","0.0011","22.258","0.003","11.3838","0.0013","90","","106.975","0.002","90","","2341","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H15 N O8 Zn2 -","- C24 H15 N O8 Zn2 -","- C96 H60 N4 O32 Zn8 -","4","1","","Qiao, Yu; Ma, Yufeng; Jiang, Wei; Wang, Xiuyan; Guan, Weisheng; Che, Guangbo; Li, Weikang; Qin, Fang","A series of metal‒organic frameworks constructed by a rigid-flexible 5-(bis(4-carboxybenzyl)amino)isophthalic acid: syntheses, crystal structures and physical properties","CrystEngComm","2018","20","48","7782","","10.1039/C8CE01209A","","","0.71073","MoKα","","0.0585","0.0405","","","0.0947","0.1014","","","","","","1.088","","","","has coordinates","229050","2020-10-21","18:00:00",""
"7231750","11.117","0.001","11.2139","0.001","13.6948","0.0012","104.059","0.001","100.259","0.001","93.09","0.002","1621.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H26 N2 O13 Pb2 -","- C24 H11 N O9 Pb2 -","- C48 H22 N2 O18 Pb4 -","2","1","","Qiao, Yu; Ma, Yufeng; Jiang, Wei; Wang, Xiuyan; Guan, Weisheng; Che, Guangbo; Li, Weikang; Qin, Fang","A series of metal‒organic frameworks constructed by a rigid-flexible 5-(bis(4-carboxybenzyl)amino)isophthalic acid: syntheses, crystal structures and physical properties","CrystEngComm","2018","20","48","7782","","10.1039/C8CE01209A","","","0.71073","MoKα","","0.0742","0.0562","","","0.1677","0.1823","","","","","","1.079","","","","has coordinates","229050","2020-10-21","18:00:00",""
"7231751","14.751","0.005","12.781","0.005","11.161","0.005","90","","90","","90","","2104.2","1.4","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H19 Mn N O9 -","- C24 H19 Mn N O9 -","- C96 H76 Mn4 N4 O36 -","4","1","","Qiao, Yu; Ma, Yufeng; Jiang, Wei; Wang, Xiuyan; Guan, Weisheng; Che, Guangbo; Li, Weikang; Qin, Fang","A series of metal‒organic frameworks constructed by a rigid-flexible 5-(bis(4-carboxybenzyl)amino)isophthalic acid: syntheses, crystal structures and physical properties","CrystEngComm","2018","20","48","7782","","10.1039/C8CE01209A","","","0.71069","MoKα","","0.0484","0.0358","","","0.0712","0.0762","","","","","","1.033","","","","has coordinates","229050","2020-10-21","18:00:00",""
"7231752","10.8479","0.0018","20.105","0.003","22.305","0.004","90","","90","","90","","4864.7","1.4","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H23 Cd N O11 -","- C24 H23 Cd N O11 -","- C192 H184 Cd8 N8 O88 -","8","1","","Qiao, Yu; Ma, Yufeng; Jiang, Wei; Wang, Xiuyan; Guan, Weisheng; Che, Guangbo; Li, Weikang; Qin, Fang","A series of metal‒organic frameworks constructed by a rigid-flexible 5-(bis(4-carboxybenzyl)amino)isophthalic acid: syntheses, crystal structures and physical properties","CrystEngComm","2018","20","48","7782","","10.1039/C8CE01209A","","","0.71073","MoKα","","0.0502","0.0333","","","0.0789","0.0869","","","","","","1.023","","","","has coordinates","229050","2020-10-21","18:00:00",""
"7231753","9.5199","0.0007","10.2672","0.0006","12.5352","0.0008","84.614","0.005","70.854","0.006","80.244","0.005","1139.75","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H12 Cu2 N9 S3 -","- C23 H12 Cu2 N9 S3 -","- C46 H24 Cu4 N18 S6 -","2","1","","Li, Meng-Hua; You, Ming-Hua; Zhang, Jiang-Yan; Xiao, Wang-Chuan; Lin, Mei-Jin","A bicontinuous donor‒acceptor hybrid heterostructure based on coordination and cation‒π interactions","CrystEngComm","2018","20","48","7795","","10.1039/C8CE01526K","","x-ray","0.71073","MoKα","","0.0564","0.0497","","","0.1563","0.1664","","","","","","1.055","","","","has coordinates","229049","2020-10-21","18:00:00",""
"7231754","7.309","0.011","16.54","0.02","6.169","0.009","90","","108.823","0.015","90","","705.9","1.7","159","2","159","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 O2 -","- C6 H12 O2 -","- C24 H48 O8 -","4","1","","Prathapa, Siriyara Jagannatha; Slabbert, Cara; Fernandes, Manuel A.; Lemmerer, Andreas","Structure determination of fatty acid ester biofuels via in situ cryocrystallisation and single crystal X-ray diffraction","CrystEngComm","2019","21","1","41","","10.1039/C8CE01673A","","x-ray","0.71073","MoKα","","0.1615","0.1024","","","0.2479","0.2717","","","","","","1.232","","","","has coordinates","223517","2020-10-21","18:00:00",""
"7231755","5.568","0.0016","7.214","0.002","31.782","0.009","89.956","0.006","85.324","0.004","89.866","0.004","1272.4","0.6","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H24 O2 -","- C12 H24 O2 -","- C48 H96 O8 -","4","2","","Prathapa, Siriyara Jagannatha; Slabbert, Cara; Fernandes, Manuel A.; Lemmerer, Andreas","Structure determination of fatty acid ester biofuels via in situ cryocrystallisation and single crystal X-ray diffraction","CrystEngComm","2019","21","1","41","","10.1039/C8CE01673A","","x-ray","0.71073","MoKα","","0.0791","0.0548","","","0.1456","0.159","","","","","","1.031","","","","has coordinates","223517","2020-10-21","18:00:00",""
"7231756","50.25","0.03","7.055","0.004","5.609","0.003","90","","90","","90","","1988","2","173","2","173","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C9 H18 O2 -","- C9 H18 O2 -","- C72 H144 O16 -","8","1","","Prathapa, Siriyara Jagannatha; Slabbert, Cara; Fernandes, Manuel A.; Lemmerer, Andreas","Structure determination of fatty acid ester biofuels via in situ cryocrystallisation and single crystal X-ray diffraction","CrystEngComm","2019","21","1","41","","10.1039/C8CE01673A","","x-ray","0.71073","MoKα","","0.1042","0.0948","","","0.2464","0.2505","","","","","","1.143","","","","has coordinates","223517","2020-10-21","18:00:00",""
"7231757","5.565","0.003","7.183","0.004","27.043","0.014","90.145","0.007","91.445","0.007","90.099","0.007","1080.7","1","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H20 O2 -","- C10 H20 O2 -","- C40 H80 O8 -","4","2","","Prathapa, Siriyara Jagannatha; Slabbert, Cara; Fernandes, Manuel A.; Lemmerer, Andreas","Structure determination of fatty acid ester biofuels via in situ cryocrystallisation and single crystal X-ray diffraction","CrystEngComm","2019","21","1","41","","10.1039/C8CE01673A","","x-ray","0.71073","MoKα","","0.1693","0.0725","","","0.1684","0.2063","","","","","","1.009","","","","has coordinates","223517","2020-10-21","18:00:00",""
"7231758","9.173","0.003","5.6554","0.0017","17.357","0.005","90","","104.928","0.003","90","","870","0.5","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C8 H16 O2 -","- C8 H16 O2 -","- C32 H64 O8 -","4","1","","Prathapa, Siriyara Jagannatha; Slabbert, Cara; Fernandes, Manuel A.; Lemmerer, Andreas","Structure determination of fatty acid ester biofuels via in situ cryocrystallisation and single crystal X-ray diffraction","CrystEngComm","2019","21","1","41","","10.1039/C8CE01673A","","x-ray","0.71073","MoKα","","0.0546","0.0441","","","0.1114","0.1192","","","","","","1.053","","","","has coordinates","223517","2020-10-21","18:00:00",""
"7231759","67.94","0.006","7.1161","0.0006","5.5638","0.0005","90","","90","","90","","2689.9","0.4","173","2","173","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C13 H26 O2 -","- C13 H26 O2 -","- C104 H208 O16 -","8","1","","Prathapa, Siriyara Jagannatha; Slabbert, Cara; Fernandes, Manuel A.; Lemmerer, Andreas","Structure determination of fatty acid ester biofuels via in situ cryocrystallisation and single crystal X-ray diffraction","CrystEngComm","2019","21","1","41","","10.1039/C8CE01673A","","x-ray","0.71073","MoKα","","0.1383","0.0973","","","0.2764","0.2967","","","","","","1.09","","","","has coordinates","223517","2020-10-21","18:00:00",""
"7231760","38.19","0.02","4.088","0.002","9.951","0.005","90","","90.206","0.01","90","","1553.5","1.4","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C7 H14 O2 -","- C7 H14 O2 -","- C56 H112 O16 -","8","1","","Prathapa, Siriyara Jagannatha; Slabbert, Cara; Fernandes, Manuel A.; Lemmerer, Andreas","Structure determination of fatty acid ester biofuels via in situ cryocrystallisation and single crystal X-ray diffraction","CrystEngComm","2019","21","1","41","","10.1039/C8CE01673A","","x-ray","0.71073","MoKα","","0.0937","0.0841","","","0.2448","0.2534","","","","","","1.057","","","","has coordinates","223517","2020-10-21","18:00:00",""
"7231761","5.5474","0.0007","7.1923","0.0009","36.076","0.005","89.983","0.003","89.626","0.004","89.903","0.003","1439.3","0.3","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H28 O2 -","- C14 H28 O2 -","- C56 H112 O8 -","4","2","","Prathapa, Siriyara Jagannatha; Slabbert, Cara; Fernandes, Manuel A.; Lemmerer, Andreas","Structure determination of fatty acid ester biofuels via in situ cryocrystallisation and single crystal X-ray diffraction","CrystEngComm","2019","21","1","41","","10.1039/C8CE01673A","","x-ray","0.71073","MoKα","","0.1574","0.1012","","","0.2479","0.2778","","","","","","1.082","","","","has coordinates","223517","2020-10-21","18:00:00",""
"7231762","58.86","0.02","7.1","0.003","5.574","0.002","90","","90","","90","","2329.4","1.5","173","2","173","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C11 H22 O2 -","- C11 H22 O2 -","- C88 H176 O16 -","8","1","","Prathapa, Siriyara Jagannatha; Slabbert, Cara; Fernandes, Manuel A.; Lemmerer, Andreas","Structure determination of fatty acid ester biofuels via in situ cryocrystallisation and single crystal X-ray diffraction","CrystEngComm","2019","21","1","41","","10.1039/C8CE01673A","","x-ray","0.71073","MoKα","","0.1867","0.1548","","","0.4634","0.4772","","","","","","1.861","","","","has coordinates","223517","2020-10-21","18:00:00",""
"7231764","8.408","0.005","20.812","0.005","12.279","0.005","90","0.005","97.875","0.005","90","0.005","2128.4","1.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 N4 O5 Zn -","- C20 H17 N4 O5 Zn -","- C80 H68 N16 O20 Zn4 -","4","1","","Luo, Li; Liu, Shou-Qing; Xu, Xiao-Wen; Xu, Jing; Zhao, Jiang-Lin","Four new MOFs based on an imidazole-containing ligand and multicarboxylates: syntheses, structures and sorption properties","CrystEngComm","2018","20","47","7719","","10.1039/C8CE01448E","","","0.71073","MoKα","","0.0672","0.0595","","","0.1449","0.1535","","","","","","1.064","","","","has coordinates","229038","2020-10-21","18:00:00",""
"7231765","13.7262","0.0013","20.841","0.002","18.9308","0.0018","90","","90","","90","","5415.5","0.9","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C26 H25 Co N4 O9 -","- C26 H17 Co N4 O5 -","- C208 H136 Co8 N32 O40 -","8","1","","Luo, Li; Liu, Shou-Qing; Xu, Xiao-Wen; Xu, Jing; Zhao, Jiang-Lin","Four new MOFs based on an imidazole-containing ligand and multicarboxylates: syntheses, structures and sorption properties","CrystEngComm","2018","20","47","7719","","10.1039/C8CE01448E","","","0.71073","MoKα","","0.0843","0.0704","","","0.2159","0.2253","","","","","","1.046","","","","has coordinates","229038","2020-10-21","18:00:00",""
"7231766","20.946","0.002","21.777","0.003","19.067","0.002","90","","102.325","0.002","90","","8496.8","1.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C84 H64 N18 O23 Zn4 -","- C84 H54 N18 O23 Zn4 -","- C336 H216 N72 O92 Zn16 -","4","0.5","","Luo, Li; Liu, Shou-Qing; Xu, Xiao-Wen; Xu, Jing; Zhao, Jiang-Lin","Four new MOFs based on an imidazole-containing ligand and multicarboxylates: syntheses, structures and sorption properties","CrystEngComm","2018","20","47","7719","","10.1039/C8CE01448E","","","0.71069","MoKα","","0.0743","0.0592","","","0.1606","0.172","","","","","","0.981","","","","has coordinates","229038","2020-10-21","18:00:00",""
"7231767","16.0554","0.0018","16.5185","0.0017","19.99","0.002","90","","93.14","0.002","90","","5293.6","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H46 N8 O16 Zn2 -","- C54 H34 N8 O16 Zn2 -","- C216 H136 N32 O64 Zn8 -","4","1","","Luo, Li; Liu, Shou-Qing; Xu, Xiao-Wen; Xu, Jing; Zhao, Jiang-Lin","Four new MOFs based on an imidazole-containing ligand and multicarboxylates: syntheses, structures and sorption properties","CrystEngComm","2018","20","47","7719","","10.1039/C8CE01448E","","","0.71073","MoKα","","0.0701","0.0525","","","0.1343","0.1444","","","","","","1.052","","","","has coordinates","229038","2020-10-21","18:00:00",""
"7231768","12.4801","0.0001","23.2176","0.0002","23.4275","0.0003","90","","90","","90","","6788.3","0.12","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","cucurbit[6]uril/(-)-ephedrine complex","","","- C56 H85 Cl2 N26 O22.6 -","- C56 H80 Cl2 N26 O22.621 -","- C224 H320 Cl8 N104 O90.484 -","4","1","","Danylyuk, Oksana","Host‒guest complexes of cucurbit[6]uril with phenethylamine-type stimulants","CrystEngComm","2018","20","47","7642","","10.1039/C8CE01661E","","","0.71073","MoKα","","0.0652","0.0539","","","0.1211","0.1284","","","","","","1.09","","","","has coordinates,has disorder","229039","2020-10-21","18:00:00",""
"7231769","14.3239","0.0007","20.8368","0.0007","12.9299","0.0006","90","","108.378","0.005","90","","3662.3","0.3","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","cucurbit[6]uril/(±)-synephrine complex","","","- C54 H92 Cl2 N26 O30 -","- C54 H72 Cl2 N26 O30 -","- C108 H144 Cl4 N52 O60 -","2","0.5","","Danylyuk, Oksana","Host‒guest complexes of cucurbit[6]uril with phenethylamine-type stimulants","CrystEngComm","2018","20","47","7642","","10.1039/C8CE01661E","","","1.54184","CuKα","","0.0723","0.0692","","","0.1907","0.1933","","","","","","1.044","","","","has coordinates,has disorder","229039","2020-10-21","18:00:00",""
"7231770","50.127","0.009","50.127","0.009","12.4583","0.0004","90","","90","","120","","27110","7","100","0.1","100","","","","","","","","","5","R -3 :H","-R 3","148","cucurbit[6]uril/(±)-octopamine complex","","","- C44 H72.67 Cl N25 O26.33 -","- C44 H48 Cl N25 O26.3333 -","- C792 H864 Cl18 N450 O474 -","18","1","","Danylyuk, Oksana","Host‒guest complexes of cucurbit[6]uril with phenethylamine-type stimulants","CrystEngComm","2018","20","47","7642","","10.1039/C8CE01661E","","","1.54184","CuKα","","0.2244","0.1243","","","0.2721","0.3121","","","","","","1.007","","","","has coordinates,has disorder","229039","2020-10-21","18:00:00",""
"7231771","12.6334","0.0003","16.0589","0.0004","30.9023","0.0008","90","","99.95","0.003","90","","6175.1","0.3","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H73.4 Cl3 Mg N25 O26.7 -","- C44 H48 Cl3 Mg N25 O26.7 -","- C176 H192 Cl12 Mg4 N100 O106.8 -","4","1","","Danylyuk, Oksana","Host‒guest complexes of cucurbit[6]uril with phenethylamine-type stimulants","CrystEngComm","2018","20","47","7642","","10.1039/C8CE01661E","","","1.54184","CuKα","","0.153","0.114","","","0.3056","0.333","","","","","","1.038","","","","has coordinates,has disorder","229039","2020-10-21","18:00:00",""
"7231779","24.47","0.02","24.029","0.017","17.149","0.012","90","","90.869","0.018","90","","10082","13","292","2","292","","","","","","","","","4","C 1 2/m 1","-C 2y","12","WUF-19","","","- C48 H31 O13.5 Zn4 -","- C48 H31 O13.5 Zn4 -","- C192 H124 O54 Zn16 -","4","0.5","","Bryant, Macguire R.; Ablott, Timothy A.; Telfer, Shane G.; Liu, Lujia; Richardson, Christopher","High temperature expulsion of thermolabile groups for pore-space expansion in metal‒organic frameworks","CrystEngComm","2019","21","1","60","","10.1039/C8CE01740A","","","1.54178","CuKα","","0.237","0.181","","","0.4599","0.4986","","","","","","2.771","","","","has coordinates,has disorder","223520","2020-10-21","18:00:00",""
"7231788","20.93","0.006","21.739","0.002","30.936","0.002","90","","90","","90","","14076","4","10","2","10","2","","","","","","","","10","P 21 21 21","P 2ac 2ab","19","","","","- C101.45 H48.54 Ag2 Al2 Cl2.9 F72 Mo8 N2 O24 P8 -","- C101.45 H48.54 Ag2 Al2 Cl2.9 F72 Mo8 N2 O24 P8 -","- C405.8 H194.16 Ag8 Al8 Cl11.6 F288 Mo32 N8 O96 P32 -","4","1","","Elsayed Moussa, Mehdi; Peresypkina, Eugenia; Virovets, Alexander V.; Venus, Dominik; Balázs, Gábor; Scheer, Manfred","Tuning the dimensionality of organometallic‒organic hybrid polymers assembled from [Cp2Mo2(CO)4(η2-P2)], bipyridyl linkers and AgI ions","CrystEngComm","2018","20","46","7417","","10.1039/C8CE01792A","","x-ray","0.6702","synchrotron","","0.0536","0.0493","","","0.1332","0.1376","","","","","","1.069","","","","has coordinates,has disorder","229031","2020-10-21","18:00:00",""
"7231789","18.1526","0.0009","18.9664","0.0007","18.8938","0.0008","90","","110.424","0.006","90","","6096","0.5","123","0.3","123","2","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","","","- C82.4 H40.8 Ag2 Al2 Cl4.8 F72 Mo4 N4 O16 P4 -","- C82.4 H40.8 Ag2 Al2 Cl4.8 F72 Mo4 N4 O16 P4 -","- C164.8 H81.6 Ag4 Al4 Cl9.6 F144 Mo8 N8 O32 P8 -","2","0.5","","Elsayed Moussa, Mehdi; Peresypkina, Eugenia; Virovets, Alexander V.; Venus, Dominik; Balázs, Gábor; Scheer, Manfred","Tuning the dimensionality of organometallic‒organic hybrid polymers assembled from [Cp2Mo2(CO)4(η2-P2)], bipyridyl linkers and AgI ions","CrystEngComm","2018","20","46","7417","","10.1039/C8CE01792A","","x-ray","1.54178","CuKα","","0.0867","0.0557","","","0.1453","0.1536","","","","","","0.964","","","","has coordinates,has disorder","229031","2020-10-21","18:00:00",""
"7231790","15.4197","0.0005","15.8109","0.0005","17.58","0.0006","107.136","0.003","92.394","0.003","90.977","0.002","4090.2","0.2","123","2","123","2","","","","","","","","10","P -1","-P 1","2","","","","- C115.5 H59 Ag2 Al2 Cl3 F72 Mo8 N2 O24 P8 -","- C115.5 H59 Ag2 Al2 Cl3 F72 Mo8 N2 O24 P8 -","- C115.5 H59 Ag2 Al2 Cl3 F72 Mo8 N2 O24 P8 -","1","0.5","","Elsayed Moussa, Mehdi; Peresypkina, Eugenia; Virovets, Alexander V.; Venus, Dominik; Balázs, Gábor; Scheer, Manfred","Tuning the dimensionality of organometallic‒organic hybrid polymers assembled from [Cp2Mo2(CO)4(η2-P2)], bipyridyl linkers and AgI ions","CrystEngComm","2018","20","46","7417","","10.1039/C8CE01792A","","x-ray","1.54178","CuKα","","0.0908","0.0764","","","0.2287","0.2417","","","","","","1.079","","","","has coordinates,has disorder","229031","2020-10-21","18:00:00",""
"7231791","28.6833","0.0002","25.7478","0.0002","15.8316","0.0001","90","","90","","90","","11692.1","0.14","123","2","123","2","","","","","","","","10","P n a 21","P 2c -2n","33","","","","- C82 H40 Ag2 Al2 Cl4 F72 Mo4 N4 O16 P4 -","- C82 H40 Ag2 Al2 Cl4 F72 Mo4 N4 O16 P4 -","- C328 H160 Ag8 Al8 Cl16 F288 Mo16 N16 O64 P16 -","4","1","","Elsayed Moussa, Mehdi; Peresypkina, Eugenia; Virovets, Alexander V.; Venus, Dominik; Balázs, Gábor; Scheer, Manfred","Tuning the dimensionality of organometallic‒organic hybrid polymers assembled from [Cp2Mo2(CO)4(η2-P2)], bipyridyl linkers and AgI ions","CrystEngComm","2018","20","46","7417","","10.1039/C8CE01792A","","x-ray","1.54178","CuKα","","0.0435","0.043","","","0.1161","0.1165","","","","","","1.058","","","","has coordinates,has disorder","229031","2020-10-21","18:00:00",""
"7231792","5.06","0.006","6.392","0.008","15.823","0.018","87.32","0.04","83.9","0.04","71.23","0.02","481.8","1","566","2","566","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H10 F N2 O5 -","- C7 H10 F N2 O5 -","- C14 H20 F2 N4 O10 -","2","1","","Enkelmann, Dennis D.; Handelmann, Jens; Schauerte, Carsten; Merz, Klaus","Co-crystallization and polymorphic behaviour of 5-fluorouracil","CrystEngComm","2019","21","13","2130","","10.1039/C8CE01692E","","","0.71073","MoKα","","0.0582","0.0489","","","0.1351","0.1434","","","","","","1.05","","","","has coordinates","223636","2020-10-21","18:00:00",""
"7231793","5.443","0.009","5.845","0.009","14.47","0.02","92.228","0.018","94.392","0.009","110.98","0.03","427.5","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H8 F N2 O5 -","- C6 H8 F N2 O5 -","- C12 H16 F2 N4 O10 -","2","1","","Enkelmann, Dennis D.; Handelmann, Jens; Schauerte, Carsten; Merz, Klaus","Co-crystallization and polymorphic behaviour of 5-fluorouracil","CrystEngComm","2019","21","13","2130","","10.1039/C8CE01692E","","","0.71075","MoKα","","0.0744","0.0521","","","0.1386","0.1537","","","","","","0.956","","","","has coordinates","223636","2020-10-21","18:00:00",""
"7231794","13.215","0.005","10.327","0.005","16.162","0.005","90","0.005","93.56","0.005","90","0.005","2201.4","1.5","296","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H28 N4 O3 -","- C23 H28 N4 O3 -","- C92 H112 N16 O12 -","4","1","","Ma, Yuqing; Zhang, Yuyang; Kong, Lin; Yang, Jiaxiang","Rational molecular design: functional quinoline derivatives for PA detection, gaseous acid/base switching and anion-controlled fluorescence","CrystEngComm","2019","21","1","94","","10.1039/C8CE01747F","","","0.71069","MoKα","","0.0636","0.0471","","","0.1211","0.1356","","","","","","0.993","","","","has coordinates","223519","2020-10-21","18:00:00",""
"7231795","20.941","0.005","11.461","0.005","22.337","0.005","90","0.005","107.49","0.005","90","0.005","5113","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H56 N10 S4 Zn -","- C50 H56 N10 S4 Zn -","- C200 H224 N40 S16 Zn4 -","4","0.5","","Ma, Yuqing; Zhang, Yuyang; Kong, Lin; Yang, Jiaxiang","Rational molecular design: functional quinoline derivatives for PA detection, gaseous acid/base switching and anion-controlled fluorescence","CrystEngComm","2019","21","1","94","","10.1039/C8CE01747F","","","0.71069","MoKα","","0.0911","0.0457","","","0.108","0.1298","","","","","","0.991","","","","has coordinates","223519","2020-10-21","18:00:00",""
"7231796","11.226","0.005","11.535","0.005","11.969","0.005","108.012","0.005","100.682","0.005","90.099","0.005","1445.5","1.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H27 Hg N6 S3 -","- C26 H27 Hg N6 S3 -","- C52 H54 Hg2 N12 S6 -","2","1","","Ma, Yuqing; Zhang, Yuyang; Kong, Lin; Yang, Jiaxiang","Rational molecular design: functional quinoline derivatives for PA detection, gaseous acid/base switching and anion-controlled fluorescence","CrystEngComm","2019","21","1","94","","10.1039/C8CE01747F","","","0.71069","MoKα","","0.0457","0.0308","","","0.0752","0.0834","","","","","","1.035","","","","has coordinates","223519","2020-10-21","18:00:00",""
"7231797","3.8347","0.0009","7.258","0.0003","16.5477","0.0002","90","","90","","93.41","0.008","459.74","0.11","298","","298","","","","","","","","","5","P 1 1 21","P 2c","4","catena-dibromo-bis(3-cyanopyridine)manganat","catena-dibromo-(3-cyanopyridine)manganat","","- C6 H4 Br2 Mn N2 -","- C6 H4 Br2 Mn N2 -","- C12 H8 Br4 Mn2 N4 -","2","1","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","3-Cyanopyridine as a bridging and terminal ligand in coordination polymers","CrystEngComm","2018","20","46","7556","","10.1039/C8CE01568F","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.00944","1.266","","","","","","","has coordinates","287932","2023-12-01","13:55:21",""
"7231798","10.9722","0.0009","10.9722","0.0009","10.46","0.0003","90","","90","","90","","1259.27","0.15","298","","298","","","","","","","","","5","P 4 n c","P 4 -2n","104","Dibromo-tetra(3-cyanopyridine)nickelat","Dibromo-tetra(3-cyanopyridine)nickelat","NiBr2(3cypy)4","- C24 H16 Br2 N8 Ni -","- C24 H16 Br2 N8 Ni -","- C48 H32 Br4 N16 Ni2 -","2","0.25","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","3-Cyanopyridine as a bridging and terminal ligand in coordination polymers","CrystEngComm","2018","20","46","7556","","10.1039/C8CE01568F","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.0044","1.856","","","","","","","has coordinates","287932","2023-12-01","13:55:24",""
"7231799","3.757","0.001","13.625","0.001","13.868","0.007","87.377","0.002","82.344","0.002","82.405","0.001","697.1","0.4","298","","298","","","","","","","","","5","P -1","-P 1","2","Dibromo-bis(3-cyanopyridine)cobaltat","beta-Catena-dibromo-di(3-cyanopyridine)cobaltat","","- C12 H8 Br2 Co N4 -","- C12 H8 Br2 Co N4 -","- C24 H16 Br4 Co2 N8 -","2","1","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","3-Cyanopyridine as a bridging and terminal ligand in coordination polymers","CrystEngComm","2018","20","46","7556","","10.1039/C8CE01568F","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.0078","1.417","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7231800","27.019","0.0016","7.1242","0.0009","3.7597","0.0005","90","","90","","90","","723.7","0.14","298","","298","","","","","","","","","5","P n n m","-P 2 2n","58","Dibromo-bis(3-cyanopyridine)cobaltat","alpha-Catena-dibromo-di(3-cyanopyridine)cobaltat","","- C12 H8 Br2 Co N4 -","- C12 H8 Br2 Co N4 -","- C24 H16 Br4 Co2 N8 -","2","0.25","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","3-Cyanopyridine as a bridging and terminal ligand in coordination polymers","CrystEngComm","2018","20","46","7556","","10.1039/C8CE01568F","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.0078","1.417","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7231801","11.2178","0.0005","11.2178","0.0005","10.3309","0.0006","90","","90","","90","","1300.03","0.11","298","","298","","","","","","","","","5","P 4 n c","P 4 -2n","104","Dibromo-tetra(3-cyanopyridine)manganat","Dibromo-tetra(3-cyanopyridine)manganat","MnBr2(3-cypy)4","- C24 H16 Br2 Mn N8 -","- C24 H16 Br2 Mn N8 -","- C48 H32 Br4 Mn2 N16 -","2","0.25","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","3-Cyanopyridine as a bridging and terminal ligand in coordination polymers","CrystEngComm","2018","20","46","7556","","10.1039/C8CE01568F","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.00933","1.04","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7231802","27.30464","0.00039","7.221904","0.000094","3.829715","0.000043","90","","90","","90","","755.187","0.017","298","","298","","","","","","","","","5","P n n m","-P 2 2n","58","Dibromo-di(3-cyanopyridine)manganat","Catena-dibromo-di(3-cyanopyridine)manganat","","- C12 H8 Br2 Mn N4 -","- C12 H8 Br2 Mn N4 -","- C24 H16 Br4 Mn2 N8 -","2","0.25","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","3-Cyanopyridine as a bridging and terminal ligand in coordination polymers","CrystEngComm","2018","20","46","7556","","10.1039/C8CE01568F","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.01039","1.208","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7231803","3.709","0.001","26.801","0.004","13.706","0.008","90","","97.678","0.006","90","","1350.2","0.9","198","","198","","","","","","","","","5","C 1 c 1","C -2yc","9","Dibromo-bis(3-cyanopyridine)nickelat","alpha-Catena-dibromo-di(3-cyanopyridine)nickelat","","- C12 H8 Br2 N4 Ni -","- C12 H8 Br2 N4 Ni -","- C48 H32 Br8 N16 Ni4 -","4","1","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","3-Cyanopyridine as a bridging and terminal ligand in coordination polymers","CrystEngComm","2018","20","46","7556","","10.1039/C8CE01568F","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.00446","1.825","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7231804","11.0587","0.0004","11.0587","0.0004","10.4149","0.0005","90","","90","","90","","1273.69","0.09","298","","298","","","","","","","","","5","P 4 n c","P 4 -2n","104","Dibromo-tetra(3-cyanopyridine)nickelat","Dibromo-tetra(3-cyanopyridine)nickelat","CoBr2(3cypy)4","- C24 H16 Br2 Co N8 -","- C24 H16 Br2 Co N8 -","- C48 H32 Br4 Co2 N16 -","2","0.25","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","3-Cyanopyridine as a bridging and terminal ligand in coordination polymers","CrystEngComm","2018","20","46","7556","","10.1039/C8CE01568F","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.01015","1.162","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7231805","3.70154","0.00003","7.20487","0.00008","16.0004","0.00017","90","","90","","90","","426.716","0.007","298","","298","","","","","","","","","5","P m c 21","P 2c -2","26","catena-dibromo-bis(3-cyanopyridine)nickel","catena-dibromo-(3-cyanopyridine)nickel","","- C6 H4 Br2 N2 Ni -","- C6 H4 Br2 N2 Ni -","- C12 H8 Br4 N4 Ni2 -","2","0.5","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","3-Cyanopyridine as a bridging and terminal ligand in coordination polymers","CrystEngComm","2018","20","46","7556","","10.1039/C8CE01568F","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.00547","1.282","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7231806","27.128","0.005","7.1722","0.0014","3.7881","0.0006","90","","90","","90","","737","0.2","298","","298","","","","","","","","","5","P n n m","-P 2 2n","58","Dibromo-bis(3-cyanopyridine)iron","Catena-dibromo-bis(3-cyanopyridine)iron","","- C12 H8 Br2 Fe N4 -","- C12 H8 Br2 Fe N4 -","- C24 H16 Br4 Fe2 N8 -","2","0.25","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","3-Cyanopyridine as a bridging and terminal ligand in coordination polymers","CrystEngComm","2018","20","46","7556","","10.1039/C8CE01568F","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.01191","1.127","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7231807","3.7274","0.0002","13.574","0.009","13.761","0.006","86.862","0.002","82.401","0.009","82.12","0.001","683.1","0.5","298","","298","","","","","","","","","5","P -1","-P 1","2","Dibromo-bis(3-cyanopyridine)nickelat","beta-Catena-dibromo-di(3-cyanopyridine)nickelat","","- C12 H8 Br2 N4 Ni -","- C12 H8 Br2 N4 Ni -","- C24 H16 Br4 N8 Ni2 -","2","1","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","3-Cyanopyridine as a bridging and terminal ligand in coordination polymers","CrystEngComm","2018","20","46","7556","","10.1039/C8CE01568F","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.00498","1.737","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7231808","3.772","0.002","7.251","0.002","16.31","0.008","90","","90","","90","","446.1","0.3","298","","298","","","","","","","","","5","P m c 21","P 2c -2","26","catena-dibromo-bis(3-cyanopyridine)ferrat","catena-dibromo-(3-cyanopyridine)ferrat","","- C6 H4 Br2 Fe N2 -","- C6 H4 Br2 Fe N2 -","- C12 H8 Br4 Fe2 N4 -","2","0.5","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","3-Cyanopyridine as a bridging and terminal ligand in coordination polymers","CrystEngComm","2018","20","46","7556","","10.1039/C8CE01568F","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.01075","1.218","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7231834","15.407","0.002","5.8843","0.0006","15.664","0.002","90","","114.753","0.018","90","","1289.6","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H33 N3 O6 -","- C26 H33 N3 O6 -","- C52 H66 N6 O12 -","2","1","","Giri, Rajat Subhra; Mandal, Bhubaneswar","Unique crystallographic signatures of Boc-Gly-Phe-Phe-OMe and Boc-Gly-Phg-Phe-OMe and their self-association","CrystEngComm","2019","21","2","236","","10.1039/C8CE01723A","","","0.71073","MoKα","","0.1038","0.0721","","","0.1949","0.2202","","","","","","1.029","","","","has coordinates","223593","2020-10-21","18:00:00",""
"7231835","4.96731","0.00012","19.4022","0.0005","12.4703","0.0003","90","","92.486","0.003","90","","1200.72","0.05","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H31 N3 O6 -","- C25 H31 N3 O6 -","- C50 H62 N6 O12 -","2","1","","Giri, Rajat Subhra; Mandal, Bhubaneswar","Unique crystallographic signatures of Boc-Gly-Phe-Phe-OMe and Boc-Gly-Phg-Phe-OMe and their self-association","CrystEngComm","2019","21","2","236","","10.1039/C8CE01723A","","","0.71073","MoKα","","0.0377","0.0346","","","0.0996","0.1048","","","","","","0.608","","","","has coordinates","223593","2020-10-21","18:00:00",""
"7231836","19.4892","0.0005","21.6795","0.0005","10.5043","0.0003","90","","90","","90","","4438.2","0.2","100","2","100.03","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C28 H18 N4 O5 -","- C28 H18 N4 O5 -","- C224 H144 N32 O40 -","8","1","","Lovitt, June I.; Hawes, Chris S.; Gunnlaugsson, Thorfinnur","Crystallographic studies of 2-picolyl substituted naphthalene diimide and bis-phthalimide ligands and their supramolecular coordination chemistry","CrystEngComm","2019","21","2","207","","10.1039/C8CE01756E","","","1.54178","CuKα","","0.0404","0.0379","","","0.1018","0.1043","","","","","","1.024","","","","has coordinates","223590","2020-10-21","18:00:00",""
"7231837","11.1935","0.0006","9.2331","0.0005","16.7061","0.0008","90","","94.587","0.002","90","","1721.06","0.15","100","2","99.99","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C35 H34 Cl2 N4 O7 Zn -","- C35 H34 Cl2 N4 O7 Zn -","- C70 H68 Cl4 N8 O14 Zn2 -","2","0.5","","Lovitt, June I.; Hawes, Chris S.; Gunnlaugsson, Thorfinnur","Crystallographic studies of 2-picolyl substituted naphthalene diimide and bis-phthalimide ligands and their supramolecular coordination chemistry","CrystEngComm","2019","21","2","207","","10.1039/C8CE01756E","","x-ray","0.71073","MoKα","","0.0363","0.027","","","0.0734","0.0785","","","","","","1.059","","","","has coordinates,has disorder","223590","2020-10-21","18:00:00",""
"7231838","9.8295","0.0005","10.6901","0.0005","13.3737","0.0007","98.589","0.002","94.244","0.002","97.801","0.002","1370.28","0.12","100","2","99.99","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H22 Cl4 N4 O6 Zn -","- C26 H22 Cl4 N4 O6 Zn -","- C52 H44 Cl8 N8 O12 Zn2 -","2","1","","Lovitt, June I.; Hawes, Chris S.; Gunnlaugsson, Thorfinnur","Crystallographic studies of 2-picolyl substituted naphthalene diimide and bis-phthalimide ligands and their supramolecular coordination chemistry","CrystEngComm","2019","21","2","207","","10.1039/C8CE01756E","","","0.71073","MoKα","","0.1146","0.0472","","","0.08","0.0946","","","","","","0.988","","","","has coordinates,has disorder","223590","2020-10-21","18:00:00",""
"7231839","4.9197","0.0009","9.297","0.002","12.906","0.003","109.588","0.015","98.253","0.015","91.039","0.016","549","0.2","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H18 Cl2 N4 O4 -","- C26 H18 Cl2 N4 O4 -","- C26 H18 Cl2 N4 O4 -","1","0.5","","Lovitt, June I.; Hawes, Chris S.; Gunnlaugsson, Thorfinnur","Crystallographic studies of 2-picolyl substituted naphthalene diimide and bis-phthalimide ligands and their supramolecular coordination chemistry","CrystEngComm","2019","21","2","207","","10.1039/C8CE01756E","","","1.54178","CuKα","","0.1767","0.0819","","","0.1742","0.2223","","","","","","0.964","","","","has coordinates","223590","2020-10-21","18:00:00",""
"7231840","10.8226","0.0004","23.0562","0.0008","10.5332","0.0003","90","","90","","90","","2628.33","0.15","100","2","100.01","","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C28 H19 Cl2 N5 O4 Zn -","- C28 H19 Cl2 N5 O4 Zn -","- C112 H76 Cl8 N20 O16 Zn4 -","4","0.5","","Lovitt, June I.; Hawes, Chris S.; Gunnlaugsson, Thorfinnur","Crystallographic studies of 2-picolyl substituted naphthalene diimide and bis-phthalimide ligands and their supramolecular coordination chemistry","CrystEngComm","2019","21","2","207","","10.1039/C8CE01756E","","","0.71073","MoKα","","0.0425","0.0351","","","0.0772","0.0794","","","","","","1.198","","","","has coordinates,has disorder","223590","2020-10-21","18:00:00",""
"7231841","8.6209","0.0004","17.8581","0.0007","8.0036","0.0003","90","","90.903","0.003","90","","1232.02","0.09","100","2","100.01","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 Ag F6 N4 O4 Sb -","- C26 H16 Ag F6 N4 O4 Sb -","- C52 H32 Ag2 F12 N8 O8 Sb2 -","2","0.5","","Lovitt, June I.; Hawes, Chris S.; Gunnlaugsson, Thorfinnur","Crystallographic studies of 2-picolyl substituted naphthalene diimide and bis-phthalimide ligands and their supramolecular coordination chemistry","CrystEngComm","2019","21","2","207","","10.1039/C8CE01756E","","","1.54178","CuKα","","0.0482","0.0362","","","0.0957","0.1055","","","","","","1.036","","","","has coordinates","223590","2020-10-21","18:00:00",""
"7231842","11.978","0.003","14.504","0.003","28.647","0.007","90","","90","","90","","4977","2","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C39 H43 N5 O24 Pr2 -","- C36 H28 N4 O22 Pr2 -","- C144 H112 N16 O88 Pr8 -","4","0.5","","Huang, Hong; Gao, Wei; Zhang, Xiu-Mei; Zhou, Ai-Mei; Liu, Jie-Ping","3D LnIII-MOFs: displaying slow magnetic relaxation and highly sensitive luminescence sensing of alkylamines","CrystEngComm","2019","21","4","694","","10.1039/C8CE01762J","","","0.71073","MoKα","","0.0556","0.0457","","","0.1448","0.1545","","","","","","1.05","","","","has coordinates","223575","2020-10-21","18:00:00",""
"7231843","12.0109","0.0011","14.1322","0.0012","28.639","0.003","90","","90","","90","","4861.2","0.8","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C39 H43 Dy2 N5 O24 -","- C36 H30 Dy2 N4 O22 -","- C144 H120 Dy8 N16 O88 -","4","0.5","","Huang, Hong; Gao, Wei; Zhang, Xiu-Mei; Zhou, Ai-Mei; Liu, Jie-Ping","3D LnIII-MOFs: displaying slow magnetic relaxation and highly sensitive luminescence sensing of alkylamines","CrystEngComm","2019","21","4","694","","10.1039/C8CE01762J","","","0.71073","MoKα","","0.0626","0.0453","","","0.1252","0.1334","","","","","","1.002","","","","has coordinates","223575","2020-10-21","18:00:00",""
"7231844","21.805","0.0006","12.6126","0.0004","16.2518","0.0005","90","","107.833","0.001","90","","4254.8","0.2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H52 Cl4 Cu Na O6 S4 -","- C36 H52 Cl4 Cu Na O6 S4 -","- C144 H208 Cl16 Cu4 Na4 O24 S16 -","4","0.5","","Amo-Ochoa, Pilar; Castillo, Oscar; Delgado, Esther; Gallut, Ana; Hernández, Elisa; Perles, Josefina; Zamora, Félix","Copper dithiolene [Cu(SC6H2Cl2S)2]− units connected to alkaline/copper complexes: from ionic assemblies to discrete molecular entities and coordination polymers","CrystEngComm","2019","21","6","957","","10.1039/C8CE01594E","","","0.71073","","","0.0437","0.0344","","","0.0913","0.1087","","","","","","1.1","","","","has coordinates","223600","2020-10-21","18:00:00",""
"7231845","7.8265","0.0011","13.197","0.0014","44.68","0.007","90","","92.759","0.005","90","","4609.5","1.1","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","AG35_LT","","","- C68 H46 Cl16 Cu8 N10 S16 -","- C68 H46 Cl16 Cu8 N10 S16 -","- C136 H92 Cl32 Cu16 N20 S32 -","2","0.5","","Amo-Ochoa, Pilar; Castillo, Oscar; Delgado, Esther; Gallut, Ana; Hernández, Elisa; Perles, Josefina; Zamora, Félix","Copper dithiolene [Cu(SC6H2Cl2S)2]− units connected to alkaline/copper complexes: from ionic assemblies to discrete molecular entities and coordination polymers","CrystEngComm","2019","21","6","957","","10.1039/C8CE01594E","","","0.71073","MoKα","","0.0942","0.0496","","","0.1128","0.1558","","","","","","1.051","","","","has coordinates","223600","2020-10-21","18:00:00",""
"7231846","26.295","0.004","3.9413","0.0007","17.479","0.003","90","","102.299","0.006","90","","1769.9","0.5","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","AG27","","","- C12 H4 Cl4 Cu O Rb S4 -","- C12 H4 Cl4 Cu O Rb S4 -","- C48 H16 Cl16 Cu4 O4 Rb4 S16 -","4","0.5","","Amo-Ochoa, Pilar; Castillo, Oscar; Delgado, Esther; Gallut, Ana; Hernández, Elisa; Perles, Josefina; Zamora, Félix","Copper dithiolene [Cu(SC6H2Cl2S)2]− units connected to alkaline/copper complexes: from ionic assemblies to discrete molecular entities and coordination polymers","CrystEngComm","2019","21","6","957","","10.1039/C8CE01594E","","","0.71073","MoKα","","0.0987","0.0424","","","0.0966","0.1501","","","","","","1.09","","","","has coordinates,has disorder","223600","2020-10-21","18:00:00",""
"7231847","26.2707","0.001","3.9461","0.0002","17.367","0.0007","90","","102.37","0.002","90","","1758.58","0.13","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","AG18_LT","","","- C12 H4 Cl4 Cu K O S4 -","- C12 H4 Cl4 Cu K O S4 -","- C48 H16 Cl16 Cu4 K4 O4 S16 -","4","0.5","","Amo-Ochoa, Pilar; Castillo, Oscar; Delgado, Esther; Gallut, Ana; Hernández, Elisa; Perles, Josefina; Zamora, Félix","Copper dithiolene [Cu(SC6H2Cl2S)2]− units connected to alkaline/copper complexes: from ionic assemblies to discrete molecular entities and coordination polymers","CrystEngComm","2019","21","6","957","","10.1039/C8CE01594E","","","0.71073","MoKα","","0.0592","0.0403","","","0.105","0.1366","","","","","","1.12","","","","has coordinates","223600","2020-10-21","18:00:00",""
"7231848","12.2137","0.0004","12.4992","0.0005","15.7574","0.0005","90","","109.812","0.002","90","","2263.16","0.14","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H52 Cl4 Cu K O6 S4 -","- C36 H52 Cl4 Cu K O6 S4 -","- C72 H104 Cl8 Cu2 K2 O12 S8 -","2","0.5","","Amo-Ochoa, Pilar; Castillo, Oscar; Delgado, Esther; Gallut, Ana; Hernández, Elisa; Perles, Josefina; Zamora, Félix","Copper dithiolene [Cu(SC6H2Cl2S)2]− units connected to alkaline/copper complexes: from ionic assemblies to discrete molecular entities and coordination polymers","CrystEngComm","2019","21","6","957","","10.1039/C8CE01594E","","","0.71073","","","0.0955","0.0552","","","0.1588","0.2052","","","","","","1.047","","","","has coordinates","223600","2020-10-21","18:00:00",""
"7231849","12.85","0.004","18.906","0.006","61.98","0.03","90","","90","","90","","15058","10","293","2","293.15","","","","","","","","","5","F d d d","-F 2uv 2vw","70","","","","- C32 H16 Cd N2 O10 -","- C32 H16 Cd N2 O8 -","- C512 H256 Cd16 N32 O128 -","16","","","wang, tao; Huang, Kun; Peng, Mengni; Li, Xianglin; Han, Defang; jing, linhai; Qin, Dabin","Metal-Organic Frameworks Based on Tetraphenylpyrazine Derived Tetracarboxylic Acid for Electrocatalytic Hydrogen Evolution Reaction and NACs Sensing","CrystEngComm","2018","","","","","10.1039/C8CE01868E","","","0.71073","MoKα","","0.0453","0.0313","","","0.0752","0.0797","","","","","","1.03","","","","has coordinates","212093","2020-10-21","18:00:00",""
"7231850","11.9979","0.0014","17.366","0.002","17.573","0.002","83.274","0.005","75.95","0.005","82.588","0.004","3508.2","0.7","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C64 H45 N4 O22 Sr3 -","- C64 H45 N4 O22 Sr3 -","- C128 H90 N8 O44 Sr6 -","2","1","","wang, tao; Huang, Kun; Peng, Mengni; Li, Xianglin; Han, Defang; jing, linhai; Qin, Dabin","Metal-Organic Frameworks Based on Tetraphenylpyrazine Derived Tetracarboxylic Acid for Electrocatalytic Hydrogen Evolution Reaction and NACs Sensing","CrystEngComm","2018","","","","","10.1039/C8CE01868E","","","0.71073","MoKα","","0.036","0.0293","","","0.0809","0.0847","","","","","","1.041","","","","has coordinates","212093","2020-10-21","18:00:00",""
"7231851","10.124","0.002","11.22","0.002","15.33","0.003","96.448","0.004","108.756","0.007","98.885","0.007","1604.5","0.5","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H19 Ce N2 O9 -","- C32 H19 Ce N2 O9 -","- C64 H38 Ce2 N4 O18 -","2","1","","wang, tao; Huang, Kun; Peng, Mengni; Li, Xianglin; Han, Defang; jing, linhai; Qin, Dabin","Metal-Organic Frameworks Based on Tetraphenylpyrazine Derived Tetracarboxylic Acid for Electrocatalytic Hydrogen Evolution Reaction and NACs Sensing","CrystEngComm","2018","","","","","10.1039/C8CE01868E","","","0.71073","MoKα","","0.0245","0.022","","","0.0731","0.0742","","","","","","1.226","","","","has coordinates","212093","2020-10-21","18:00:00",""
"7231852","9.9328","0.0007","11.8804","0.0009","14.8808","0.001","84.722","0.003","72.677","0.003","87.758","0.003","1669.1","0.2","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H16 N2 O8 Pb2 -","- C32 H16 N2 O8 Pb2 -","- C64 H32 N4 O16 Pb4 -","2","1","","wang, tao; Huang, Kun; Peng, Mengni; Li, Xianglin; Han, Defang; jing, linhai; Qin, Dabin","Metal-Organic Frameworks Based on Tetraphenylpyrazine Derived Tetracarboxylic Acid for Electrocatalytic Hydrogen Evolution Reaction and NACs Sensing","CrystEngComm","2018","","","","","10.1039/C8CE01868E","","","0.71073","MoKα","","0.0406","0.0282","","","0.0675","0.0729","","","","","","1.074","","","","has coordinates","212093","2020-10-21","18:00:00",""
"7231864","14.03","0.003","11.502","0.002","17.598","0.004","90","","102.18","0.03","90","","2775.9","1","153","2","153","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- Al13 H53 O67 S3 -","- Al13 H25 O68 S3 -","- Al26 H50 O136 S6 -","2","1","","An, Guangyu; Jiang, Yuqian; Xi, Jinyang; Liu, Libing; Wang, Pin; Xiao, Feng; Wang, Dongsheng","Crystallization of aluminum polycation sulfates: transformation of tetrahedral crystals into block crystals in aqueous solutions","CrystEngComm","2019","21","2","202","","10.1039/C8CE01571F","","","0.71073","MoKα","","0.1585","0.127","","","0.2529","0.2845","","","","","","1.14","","","","has coordinates","223589","2020-10-21","18:00:00",""
"7231865","17.779","0.002","17.779","0.002","17.779","0.002","90","","90","","90","","5619.8","1.1","153","2","153","2","","","","","","","","5","F -4 3 m","F -4 2 3","216","","","","- Al13 H12 Na O70 S4 -","- Al13 H24 Na O70.0004 S4 -","- Al52 H96 Na4 O280.002 S16 -","4","0.0416667","","An, Guangyu; Jiang, Yuqian; Xi, Jinyang; Liu, Libing; Wang, Pin; Xiao, Feng; Wang, Dongsheng","Crystallization of aluminum polycation sulfates: transformation of tetrahedral crystals into block crystals in aqueous solutions","CrystEngComm","2019","21","2","202","","10.1039/C8CE01571F","","","0.71073","MoKα","","0.1148","0.1096","","","0.2274","0.2358","","","","","","1.321","","","","has coordinates","223589","2020-10-21","18:00:00",""
"7231881","10.593","0.0004","15.5318","0.0008","21.2702","0.0009","71.268","0.004","79.79","0.003","85.077","0.004","3260.1","0.3","100","0.4","100","0.4","","","","","","","","5","P -1","-P 1","2","","","","- C61 H25 Eu2 N O20 -","- C61 H25 Eu2 N O20 -","- C122 H50 Eu4 N2 O40 -","2","1","","Yang, Yan; Chen, Lian; Jiang, Feilong; Wu, Mingyan; Pang, Jiandong; Wan, Xiuyan; Hong, Maochun","A water-stable 3D Eu-MOF based on a metallacyclodimeric secondary building unit for sensitive fluorescent detection of acetone molecules","CrystEngComm","2019","21","2","321","","10.1039/C8CE01875H","","","1.54184","CuKα","","0.0497","0.0433","","","0.1179","0.122","","","","","","1.103","","","","has coordinates","223592","2020-10-21","18:00:00",""
"7231882","10.5886","0.0003","15.1959","0.0006","21.2747","0.0008","71.86","0.003","79.293","0.003","82.292","0.003","3185.7","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C61 H30 N O20 Tb2 -","- C61 H30 N O20 Tb2 -","- C122 H60 N2 O40 Tb4 -","2","1","","Yang, Yan; Chen, Lian; Jiang, Feilong; Wu, Mingyan; Pang, Jiandong; Wan, Xiuyan; Hong, Maochun","A water-stable 3D Eu-MOF based on a metallacyclodimeric secondary building unit for sensitive fluorescent detection of acetone molecules","CrystEngComm","2019","21","2","321","","10.1039/C8CE01875H","","","1.54184","CuKα","","0.0467","0.0382","","","0.1007","0.1055","","","","","","1.056","","","","has coordinates","223592","2020-10-21","18:00:00",""
"7231883","10.5924","0.0002","15.1775","0.0005","21.2599","0.0006","71.994","0.003","79.331","0.002","82.276","0.002","3183.38","0.16","100","0.3","100","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C61 H25 Dy2 N O20 -","- C61 H25 Dy2 N O20 -","- C122 H50 Dy4 N2 O40 -","2","1","","Yang, Yan; Chen, Lian; Jiang, Feilong; Wu, Mingyan; Pang, Jiandong; Wan, Xiuyan; Hong, Maochun","A water-stable 3D Eu-MOF based on a metallacyclodimeric secondary building unit for sensitive fluorescent detection of acetone molecules","CrystEngComm","2019","21","2","321","","10.1039/C8CE01875H","","","1.54184","CuKα","","0.058","0.0493","","","0.1351","0.1423","","","","","","1.053","","","","has coordinates","223592","2020-10-21","18:00:00",""
"7231884","10.604","0.0003","15.2602","0.0006","21.269","0.0008","71.882","0.004","79.392","0.003","82.535","0.003","3205.4","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H25 Gd2 N4 O22 -","- C61 H25 Gd2 N O20 -","- C122 H50 Gd4 N2 O40 -","2","1","","Yang, Yan; Chen, Lian; Jiang, Feilong; Wu, Mingyan; Pang, Jiandong; Wan, Xiuyan; Hong, Maochun","A water-stable 3D Eu-MOF based on a metallacyclodimeric secondary building unit for sensitive fluorescent detection of acetone molecules","CrystEngComm","2019","21","2","321","","10.1039/C8CE01875H","","","1.54184","CuKα","","0.1066","0.0817","","","0.2342","0.2543","","","","","","1.105","","","","has coordinates","223592","2020-10-21","18:00:00",""
"7231885","14.8162","0.0009","14.5193","0.0009","16.0799","0.001","90","","109.266","0.001","90","","3265.4","0.3","296","2","296","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C6 H35 Ca0 Cu Mo5 N6 O28.5 P2 -","- C6 H24 Cu Mo5 N6 O28.5 P2 -","- C24 H96 Cu4 Mo20 N24 O114 P8 -","4","1","","Ma, Xiang; Zhang, Chao; Hua, Jiai; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","A binuclear copper-substituted phosphomolybdate with reactive oxygen species catalytic ability and antimicrobial activity","CrystEngComm","2019","21","3","394","","10.1039/C8CE01513A","","","0.71073","MoKα","","0.0178","0.0176","","","0.0456","0.0457","","","","","","0.983","","","","has coordinates","223739","2020-10-21","18:00:00",""
"7231886","28.685","0.012","18.298","0.008","18.24","0.008","90","","122.743","0.006","90","","8053","6","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H78 Cu4 Mo10 N12 O65 P4 -","- C12 H40 Cu4 Mo10 N12 O65 P4 -","- C48 H160 Cu16 Mo40 N48 O260 P16 -","4","0.5","","Ma, Xiang; Zhang, Chao; Hua, Jiai; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","A binuclear copper-substituted phosphomolybdate with reactive oxygen species catalytic ability and antimicrobial activity","CrystEngComm","2019","21","3","394","","10.1039/C8CE01513A","","","0.71073","MoKα","","0.0345","0.0321","","","0.0877","0.0893","","","","","","1.037","","","","has coordinates,has disorder","223739","2020-10-21","18:00:00",""
"7231887","7.6961","0.00014","10.9153","0.0002","27.2368","0.0005","90","","96.1341","0.0007","90","","2274.93","0.07","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Amodiaquine Dihydrochloride Dihydrate","4-[(7-chloro-4-quinolyl)amino]- 2-[(diethylamino)methyl] phenol dihydrochloride dihydrate.","","- C20 H28 Cl3 N3 O3 -","- C20 H28 Cl3 N3 O3 -","- C80 H112 Cl12 N12 O12 -","4","1","","Putra, Okky Dwichandra; Pettersen, Anna; Nilsson Lill, Sten O.; Umeda, Daiki; Yonemochi, Etsuo; Nugraha, Yuda Prasetya; Uekusa, Hidehiro","Capturing a new hydrate polymorph of amodiaquine dihydrochloride dihydrate via heterogeneous crystallisation","CrystEngComm","2019","21","13","2053","","10.1039/C8CE01720D","","","1.54186","CuKα","","0.0484","0.0437","","","0.1102","0.1135","","","","","","1.087","","","","has coordinates","223635","2020-10-21","18:00:00",""
"7231888","26.744","0.002","3.866","0.0003","24.352","0.002","90","","90","","90","","2517.8","0.3","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C112 H112 N16 O32 -","8","2","","Manin, Alex N.; Drozd, Ksenia V.; Churakov, Andrei V.; Perlovich, German L.","Design of 4-aminobenzoic acid two-component molecular crystals: prediction and experiments","CrystEngComm","2019","21","13","2119","","10.1039/C8CE01857J","","","0.71073","MoKα","","0.0398","0.0353","","","0.0898","0.0937","","","","","","1.011","","","","has coordinates","223637","2020-10-21","18:00:00",""
"7231889","12.8319","0.0009","11.667","0.0008","9.5936","0.0007","90","","90","","90","","1436.26","0.18","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H18 N2 O3 -","- C15 H18 N2 O3 -","- C60 H72 N8 O12 -","4","1","","Manin, Alex N.; Drozd, Ksenia V.; Churakov, Andrei V.; Perlovich, German L.","Design of 4-aminobenzoic acid two-component molecular crystals: prediction and experiments","CrystEngComm","2019","21","13","2119","","10.1039/C8CE01857J","","","0.71073","MoKα","","0.0356","0.0329","","","0.0862","0.0886","","","","","","1.049","","","","has coordinates","223637","2020-10-21","18:00:00",""
"7231890","7.6177","0.0005","6.5936","0.0004","22.5748","0.0014","90","","97.516","0.001","90","","1124.15","0.12","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 N3 O5 -","- C11 H11 N3 O5 -","- C44 H44 N12 O20 -","4","1","","Manin, Alex N.; Drozd, Ksenia V.; Churakov, Andrei V.; Perlovich, German L.","Design of 4-aminobenzoic acid two-component molecular crystals: prediction and experiments","CrystEngComm","2019","21","13","2119","","10.1039/C8CE01857J","","","0.71073","MoKα","","0.0432","0.0369","","","0.0955","0.0999","","","","","","1.035","","","","has coordinates","223637","2020-10-21","18:00:00",""
"7231891","3.9358","0.0005","15.944","0.002","20.68","0.003","90","","90.305","0.002","90","","1297.7","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C56 H56 N8 O16 -","4","1","","Manin, Alex N.; Drozd, Ksenia V.; Churakov, Andrei V.; Perlovich, German L.","Design of 4-aminobenzoic acid two-component molecular crystals: prediction and experiments","CrystEngComm","2019","21","13","2119","","10.1039/C8CE01857J","","","0.71073","MoKα","","0.0432","0.0342","","","0.0843","0.0894","","","","","","1.033","","","","has coordinates","223637","2020-10-21","18:00:00",""
"7231892","10.1018","0.0005","11.3577","0.0005","21.6477","0.001","90","","98.4472","0.0007","90","","2456.8","0.2","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H13 N3 O4 -","- C12 H13 N3 O4 -","- C96 H104 N24 O32 -","8","1","","Manin, Alex N.; Drozd, Ksenia V.; Churakov, Andrei V.; Perlovich, German L.","Design of 4-aminobenzoic acid two-component molecular crystals: prediction and experiments","CrystEngComm","2019","21","13","2119","","10.1039/C8CE01857J","","","0.71073","MoKα","","0.0423","0.0357","","","0.0902","0.0944","","","","","","1.034","","","","has coordinates","223637","2020-10-21","18:00:00",""
"7231901","7.1167","0.0004","7.2147","0.0003","13.2268","0.0004","81.973","0.003","99.788","0.004","117.046","0.004","594.55","0.05","295","","295","","","","","","","","","4","P -1","-P 1","2","","","","- B K3 O13 Sb4 -","- B K3 O13 Sb4 -","- B2 K6 O26 Sb8 -","2","1","","Doux, Jean-Marie; Stephant, Nicolas; La Salle, Annie Le Gal; Joubert, Olivier; Guyomard, Dominique; Quarez, Eric","New KRb2Sb4BO13 and Rb3Sb4BO13 compounds prepared by Rb+/K+ ion exchange from the K3Sb4BO13 ion conductor","CrystEngComm","2019","21","4","594","","10.1039/C8CE01712C","","","0.71073","MoKα","","0.0533","0.0372","","","0.0713","0.076","","","","","","1.144","","","","has coordinates","223582","2020-10-21","18:00:00",""
"7231902","7.1593","0.0005","7.2533","0.0005","13.4894","0.0009","82.358","0.007","99.999","0.005","117.321","0.007","611.75","0.08","295","","295","","","","","","","","","4","P -1","-P 1","2","","","","- B O13 Rb3 Sb4 -","- B O13 Rb3 Sb4 -","- B2 O26 Rb6 Sb8 -","2","1","","Doux, Jean-Marie; Stephant, Nicolas; La Salle, Annie Le Gal; Joubert, Olivier; Guyomard, Dominique; Quarez, Eric","New KRb2Sb4BO13 and Rb3Sb4BO13 compounds prepared by Rb+/K+ ion exchange from the K3Sb4BO13 ion conductor","CrystEngComm","2019","21","4","594","","10.1039/C8CE01712C","","","0.71073","MoKα","","0.0463","0.0337","","","0.0668","0.0712","","","","","","1.153","","","","has coordinates","223582","2020-10-21","18:00:00",""
"7231903","7.1456","0.0005","7.239","0.0008","13.4113","0.0007","82.058","0.007","100.051","0.006","117.205","0.005","606.16","0.09","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- B K0.99 O13 Rb2.01 Sb4 -","- B K0.985 O13 Rb2.015 Sb4 -","- B2 K1.97 O26 Rb4.03 Sb8 -","2","1","","Doux, Jean-Marie; Stephant, Nicolas; La Salle, Annie Le Gal; Joubert, Olivier; Guyomard, Dominique; Quarez, Eric","New KRb2Sb4BO13 and Rb3Sb4BO13 compounds prepared by Rb+/K+ ion exchange from the K3Sb4BO13 ion conductor","CrystEngComm","2019","21","4","594","","10.1039/C8CE01712C","","","0.71073","MoKα","","0.0423","0.0338","","","0.0748","0.0777","","","","","","1.217","","","","has coordinates","223582","2020-10-21","18:00:00",""
"7231905","5.6867","0.0003","5.6867","0.0003","5.6867","0.0003","90","","90","","90","","183.9","0.017","298","2","298","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C H6 Cl3 N Pb -","- C1.0008 Cl3 N1.0008 Pb -","- C1.0008 Cl3 N1.0008 Pb -","1","0.0208333","","Nandi, Pronoy; Giri, Chandan; Swain, Diptikanta; Manju, U.; Topwal, Dinesh","Room temperature growth of CH3NH3PbCl3 single crystals by solvent evaporation method","CrystEngComm","2019","21","4","656","","10.1039/C8CE01939H","","","0.71073","MoKα","","0.0347","0.0347","","","0.0665","0.0665","","","","","","1.27","","","","has coordinates","223576","2020-10-21","18:00:00",""
"7231906","6.8028","0.0012","8.47","0.0015","11.01","0.002","73.643","0.005","87.812","0.005","75.045","0.005","587.69","0.18","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 Cu N6 O14 -","- C18 H20 Cu N6 O14 -","- C18 H20 Cu N6 O14 -","1","0.5","","Guo, Zhaoqi; Wang, Yu; Liu, Xuemin; Zhang, Cong; Zhang, Yazhou; Ma, Haixia","Auxiliary ligand-directed synthesis of 3D energetic coordination polymer from discrete complex: enhanced energy density, thermal stability and energy performance","CrystEngComm","2019","21","3","462","","10.1039/C8CE01891J","","","0.71073","MoKα","","0.0684","0.0431","","","0.0783","0.0835","","","","","","1.049","","","","has coordinates","223742","2020-10-21","18:00:00",""
"7231907","7.889","0.0011","8.2289","0.0008","19.101","0.002","90","","96.213","0.004","90","","1232.7","0.2","292","","292","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H5 Cu2 N6 O8 -","- C8 H5 Cu2 N6 O8 -","- C32 H20 Cu8 N24 O32 -","4","1","","Guo, Zhaoqi; Wang, Yu; Liu, Xuemin; Zhang, Cong; Zhang, Yazhou; Ma, Haixia","Auxiliary ligand-directed synthesis of 3D energetic coordination polymer from discrete complex: enhanced energy density, thermal stability and energy performance","CrystEngComm","2019","21","3","462","","10.1039/C8CE01891J","","","0.71073","MoKα","","0.0399","0.0306","","","0.0756","0.08","","","","","","1.033","","","","has coordinates","223742","2020-10-21","18:00:00",""
"7231908","3.8517","0.0002","18.458","0.002","16.3545","0.0012","90","","92.481","0.003","90","","1161.63","0.16","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ROY","5-methyl-2-[(2-nitrophenyl)-amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Nyman, Jonas; Yu, Lian; Reutzel-Edens, Susan M.","Accuracy and reproducibility in crystal structure prediction: the curious case of ROY","CrystEngComm","2019","21","13","2080","","10.1039/C8CE01902A","","x-ray","1.54178","CuKα","","0.0308","0.0287","","","0.0752","0.0765","","","","","","1.04","","","","has coordinates","223632","2020-10-21","18:00:00",""
"7231909","3.8517","0.0002","18.458","0.002","16.3545","0.0012","90","","92.481","0.003","90","","1161.63","0.16","100","2","99.97","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ROY","5-methyl-2-[(2-nitrophenyl)-amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Nyman, Jonas; Yu, Lian; Reutzel-Edens, Susan M.","Accuracy and reproducibility in crystal structure prediction: the curious case of ROY","CrystEngComm","2019","21","13","2080","","10.1039/C8CE01902A","","x-ray","1.54178","CuKα","","0.0308","0.0287","","","0.0752","0.0765","","","","","","1.04","","","","has coordinates","223632","2020-10-21","18:00:00",""
"7231912","15.8546","0.0003","11.2212","0.0002","19.1473","0.0004","90","","93.305","0.002","90","","3400.79","0.11","130.01","0.1","130.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H40 Cu2 I2 N10 -","- C30 H40 Cu2 I2 N10 -","- C120 H160 Cu8 I8 N40 -","4","1","","Beheshti, Azizolla; Mousavi Fard, Elham Sadat; Kubicki, Maciej; Mayer, Peter; Abrahams, Carmel T.; Razatofighi, Seyedeh Elham","Design, synthesis and characterization of copper-based coordination compounds with bidentate (N,N and N,O) ligands: reversible uptake of iodine, dye adsorption and assessment of their antibacterial properties","CrystEngComm","2019","21","2","251","","10.1039/C8CE01348A","","x-ray","1.54184","CuKα","","0.0577","0.0475","","","0.1335","0.1429","","","","","","1.114","","","","has coordinates","223591","2020-10-21","18:00:00",""
"7231913","8.213","0.0007","10.6509","0.0007","24.483","0.002","90","","94.124","0.007","90","","2136.1","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","AB96","","","- C16 H24 Cl2 Cu2 N6 O2 -","- C16 H24 Cl2 Cu2 N6 O2 -","- C64 H96 Cl8 Cu8 N24 O8 -","4","1","","Beheshti, Azizolla; Mousavi Fard, Elham Sadat; Kubicki, Maciej; Mayer, Peter; Abrahams, Carmel T.; Razatofighi, Seyedeh Elham","Design, synthesis and characterization of copper-based coordination compounds with bidentate (N,N and N,O) ligands: reversible uptake of iodine, dye adsorption and assessment of their antibacterial properties","CrystEngComm","2019","21","2","251","","10.1039/C8CE01348A","","","0.71073","MoKα","","0.0765","0.0472","","","0.1004","0.1184","","","","","","1.06","","","","has coordinates","223591","2020-10-21","18:00:00",""
"7231914","8.9045","0.0004","14.2825","0.0004","12.8264","0.0007","90","","95.806","0.005","90","","1622.87","0.12","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H36 Br4 Cu4 N8 O4 -","- C24 H36 Br4 Cu4 N8 O4 -","- C48 H72 Br8 Cu8 N16 O8 -","2","0.5","","Beheshti, Azizolla; Mousavi Fard, Elham Sadat; Kubicki, Maciej; Mayer, Peter; Abrahams, Carmel T.; Razatofighi, Seyedeh Elham","Design, synthesis and characterization of copper-based coordination compounds with bidentate (N,N and N,O) ligands: reversible uptake of iodine, dye adsorption and assessment of their antibacterial properties","CrystEngComm","2019","21","2","251","","10.1039/C8CE01348A","","x-ray","0.71073","MoKα","","0.0463","0.0349","","","0.0867","0.0911","","","","","","1.016","","","","has coordinates,has disorder","223591","2020-10-21","18:00:00",""
"7231915","9.949","0.005","11.344","0.005","12.395","0.005","98.565","0.005","90.042","0.005","91.149","0.005","1383","1.1","298","1","298","1","","","","","","","","5","P -1","-P 1","2","","","","- C29 H25 Cd N5 O7 -","- C29 H25 Cd N5 O7 -","- C58 H50 Cd2 N10 O14 -","2","1","","Pal, Arun; Mitra, Antarip; Chand, Santanu; Lin, Jian-Bin; Das, Madhab C.","Two 2D microporous MOFs based on bent carboxylates and a linear spacer for selective CO2 adsorption","CrystEngComm","2019","21","3","535","","10.1039/C8CE01925H","","","0.71073","MoKα","","0.1283","0.0527","","","0.0977","0.1266","","","","","","0.961","","","","has coordinates","223740","2020-10-21","18:00:00",""
"7231916","9.894","0.005","12.719","0.005","12.789","0.005","60.037","0.005","77.603","0.005","83.457","0.005","1361.7","1","298","1","298","1","","","","","","","","6","P 1","P 1","1","","","","- C40 H26 N4 O13 S2 Zn2 -","- C40 H26 N4 O13 S2 Zn2 -","- C40 H26 N4 O13 S2 Zn2 -","1","1","","Pal, Arun; Mitra, Antarip; Chand, Santanu; Lin, Jian-Bin; Das, Madhab C.","Two 2D microporous MOFs based on bent carboxylates and a linear spacer for selective CO2 adsorption","CrystEngComm","2019","21","3","535","","10.1039/C8CE01925H","","","0.71073","MoKα","","0.0889","0.0617","","","0.1734","0.1893","","","","","","1.019","","","","has coordinates","223740","2020-10-21","18:00:00",""
"7231917","19.278","0.002","30.847","0.004","31.788","0.004","103.418","0.0015","99.2516","0.0015","95.3487","0.0015","17980","4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- Li O U -","- Li86.352 O783.222 U96 -","- Li86.352 O783.222 U96 -","1","0.5","","Traustason, H.; Aksenov, S. M.; Burns, P. C.","The lithium‒water configuration encapsulated by uranyl peroxide cage cluster U24","CrystEngComm","2019","21","3","390","","10.1039/C8CE01774C","","","1.5478","","","0.0742","0.0484","","","0.1467","0.1625","","","","","","1.075","","","","has coordinates","223741","2020-10-21","18:00:00",""
"7231918","8.8708","0.0018","15.609","0.003","18.593","0.004","90","","90.01","0.03","90","","2574.5","0.9","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H38 N2 O5 -","- C28 H38 N2 O5 -","- C112 H152 N8 O20 -","4","2","","Wang, Xiaojuan; Kong, Minmin; Li, Duanxiu; Fang, Jianhui; Deng, Zongwu; Zhang, Hailu","Stanozolol‒aromatic carboxylic acid crystalline complexes: flexible tautomeric/ionization states and supramolecular synthons","CrystEngComm","2019","21","13","2144","","10.1039/C8CE01439F","","","0.71073","MoKα","","0.0309","0.0304","","","0.0698","0.0702","","","","","","1.055","","","","has coordinates","223634","2020-10-21","18:00:00",""
"7231919","32.061","0.003","11.0501","0.0009","7.0657","0.0006","90","","93.859","0.003","90","","2497.5","0.4","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C26.5 H38.5 N3 O3.75 -","- C26.5 H38.5 N3 O3.75 -","- C106 H154 N12 O15 -","4","1","","Wang, Xiaojuan; Kong, Minmin; Li, Duanxiu; Fang, Jianhui; Deng, Zongwu; Zhang, Hailu","Stanozolol‒aromatic carboxylic acid crystalline complexes: flexible tautomeric/ionization states and supramolecular synthons","CrystEngComm","2019","21","13","2144","","10.1039/C8CE01439F","","","0.71073","MoKα","","0.1047","0.0619","","","0.123","0.1411","","","","","","1.016","","","","has coordinates","223634","2020-10-21","18:00:00",""
"7231920","9.6635","0.0003","23.495","0.0006","11.8249","0.0003","90","","113.761","0.001","90","","2457.19","0.12","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H38 N2 O5 -","- C28 H38 N2 O5 -","- C112 H152 N8 O20 -","4","2","","Wang, Xiaojuan; Kong, Minmin; Li, Duanxiu; Fang, Jianhui; Deng, Zongwu; Zhang, Hailu","Stanozolol‒aromatic carboxylic acid crystalline complexes: flexible tautomeric/ionization states and supramolecular synthons","CrystEngComm","2019","21","13","2144","","10.1039/C8CE01439F","","","0.71073","MoKα","","0.0328","0.032","","","0.0836","0.0846","","","","","","1.043","","","","has coordinates","223634","2020-10-21","18:00:00",""
"7231921","7.866","0.0005","11.3879","0.0008","29.2351","0.0017","90","","95.638","0.002","90","","2606.1","0.3","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H38 N2 O5 -","- C29 H38 N2 O5 -","- C116 H152 N8 O20 -","4","2","","Wang, Xiaojuan; Kong, Minmin; Li, Duanxiu; Fang, Jianhui; Deng, Zongwu; Zhang, Hailu","Stanozolol‒aromatic carboxylic acid crystalline complexes: flexible tautomeric/ionization states and supramolecular synthons","CrystEngComm","2019","21","13","2144","","10.1039/C8CE01439F","","","0.71073","MoKα","","0.0764","0.0511","","","0.1119","0.121","","","","","","0.972","","","","has coordinates","223634","2020-10-21","18:00:00",""
"7231922","30.935","0.004","3.8492","0.0005","13.9128","0.0019","90","","90","","90","","1656.7","0.4","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C8 H3 N S3 -","- C8 H3 N S3 -","- C64 H24 N8 S24 -","8","2","","Lopes, Gonçalo; da Gama, Vasco; Belo, Dulce; Simão, Dulce; Santos, Isabel Cordeiro; Almeida, Manuel; Rabaça, Sandra","A 4-cyanobenzene-ethylenedithio-TTF electron donor and its (1 : 1) triiodide radical cation salt; isomer effects in C‒N⋯H‒C interactions","CrystEngComm","2019","21","4","637","","10.1039/C8CE01967C","","","0.71073","MoKα","","0.0416","0.0374","","","0.0811","0.0828","","","","","","1.047","","","","has coordinates","223578","2020-10-21","18:00:00",""
"7231923","9.4744","0.0011","15.4187","0.0017","26.876","0.003","90","","91.64","0.007","90","","3924.5","0.8","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H6 I3 N S6 -","- C13 H6 I3 N S6 -","- C104 H48 I24 N8 S48 -","8","1","","Lopes, Gonçalo; da Gama, Vasco; Belo, Dulce; Simão, Dulce; Santos, Isabel Cordeiro; Almeida, Manuel; Rabaça, Sandra","A 4-cyanobenzene-ethylenedithio-TTF electron donor and its (1 : 1) triiodide radical cation salt; isomer effects in C‒N⋯H‒C interactions","CrystEngComm","2019","21","4","637","","10.1039/C8CE01967C","","","0.71073","MoKα","","0.1467","0.1289","","","0.277","0.2832","","","","","","1.199","","","","has coordinates,has disorder","223578","2020-10-21","18:00:00",""
"7231924","14.1394","0.0006","4.065","0.0001","24.6729","0.001","90","","90","","90","","1418.12","0.09","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C13 H7 N S6 -","- C13 H7 N S6 -","- C52 H28 N4 S24 -","4","1","","Lopes, Gonçalo; da Gama, Vasco; Belo, Dulce; Simão, Dulce; Santos, Isabel Cordeiro; Almeida, Manuel; Rabaça, Sandra","A 4-cyanobenzene-ethylenedithio-TTF electron donor and its (1 : 1) triiodide radical cation salt; isomer effects in C‒N⋯H‒C interactions","CrystEngComm","2019","21","4","637","","10.1039/C8CE01967C","","","0.71073","MoKα","","0.0369","0.0333","","","0.0812","0.0829","","","","","","1.027","","","","has coordinates","223578","2020-10-21","18:00:00",""
"7231925","7.7442","0.0005","7.744","0.0005","26.3522","0.0016","81.877","0.002","83.912","0.002","65.73","0.002","1424.22","0.16","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H14 N2 S12 -","- C26 H14 N2 S12 -","- C52 H28 N4 S24 -","2","1","","Lopes, Gonçalo; da Gama, Vasco; Belo, Dulce; Simão, Dulce; Santos, Isabel Cordeiro; Almeida, Manuel; Rabaça, Sandra","A 4-cyanobenzene-ethylenedithio-TTF electron donor and its (1 : 1) triiodide radical cation salt; isomer effects in C‒N⋯H‒C interactions","CrystEngComm","2019","21","4","637","","10.1039/C8CE01967C","","","0.71073","MoKα","","0.0655","0.0421","","","0.0937","0.1023","","","","","","0.976","","","","has coordinates","223578","2020-10-21","18:00:00",""
"7231926","3.8349","0.0002","14.8206","0.0006","13.7718","0.0005","90","","92.231","0.002","90","","782.13","0.06","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H3 N O S2 -","- C8 H3 N O S2 -","- C32 H12 N4 O4 S8 -","4","1","","Lopes, Gonçalo; da Gama, Vasco; Belo, Dulce; Simão, Dulce; Santos, Isabel Cordeiro; Almeida, Manuel; Rabaça, Sandra","A 4-cyanobenzene-ethylenedithio-TTF electron donor and its (1 : 1) triiodide radical cation salt; isomer effects in C‒N⋯H‒C interactions","CrystEngComm","2019","21","4","637","","10.1039/C8CE01967C","","","0.71073","MoKα","","0.0621","0.0469","","","0.1152","0.1222","","","","","","1.098","","","","has coordinates","223578","2020-10-21","18:00:00",""
"7231927","22.4236","0.0008","29.6641","0.0011","15.5246","0.0006","90","","90","","90","","10326.6","0.7","149","2","149","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C101 H86 Cu2 N5 O21 -","- C101 H86 Cu2 N5 O21 -","- C404 H344 Cu8 N20 O84 -","4","0.5","","Tanaka, Koichi; Kawakita, Tomohiro; Morawiak, Maja; Urbanczyk-Lipkowska, Zofia","A novel homochiral metal‒organic framework with an expanded open cage based on (R)-3,3′-bis(6-carboxy-2-naphthyl)-2,2′-dihydroxy-1,1′-binaphthyl: synthesis, X-ray structure and efficient HPLC enantiomer separation","CrystEngComm","2019","21","3","487","","10.1039/C8CE01791C","","","1.54178","CuKα","","0.1192","0.1099","","","0.2886","0.3169","","","","","","1.449","","","","has coordinates","223737","2020-10-21","18:00:00",""
"7231928","12.99","0.003","17.916","0.004","20.699","0.005","90","","106.068","0.003","90","","4629.1","1.9","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C48 H56 O13 -","- C48 H56 O13 -","- C192 H224 O52 -","4","1","","Xiao, Zufeng; Yang, Weiping; Yan, Fengyi; Ji, Lingbo; Li, Wei; Wang, Wei","Assembly of calix[4]arene carboxylic acid derivatives by hydrogen bonding","CrystEngComm","2019","21","3","439","","10.1039/C8CE01655K","","","0.71073","MoKα","","0.1152","0.095","","","0.3234","0.3381","","","","","","1.374","","","","has coordinates,has disorder","223738","2020-10-21","18:00:00",""
"7231929","10.236","0.002","13.402","0.003","15.695","0.004","64.813","0.006","74.226","0.006","83.78","0.006","1874.9","0.7","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C45 H36 O11 -","- C45 H36 O11 -","- C90 H72 O22 -","2","1","","Xiao, Zufeng; Yang, Weiping; Yan, Fengyi; Ji, Lingbo; Li, Wei; Wang, Wei","Assembly of calix[4]arene carboxylic acid derivatives by hydrogen bonding","CrystEngComm","2019","21","3","439","","10.1039/C8CE01655K","","","0.71073","MoKα","","0.1611","0.0702","","","0.1562","0.1963","","","","","","1.021","","","","has coordinates","223738","2020-10-21","18:00:00",""
"7231930","27.04","0.006","17.777","0.004","8.1345","0.0017","90","","90","","90","","3910.2","1.5","203","2","203","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C44 H32 O10 -","- C44 H32 O10 -","- C176 H128 O40 -","4","0.5","","Xiao, Zufeng; Yang, Weiping; Yan, Fengyi; Ji, Lingbo; Li, Wei; Wang, Wei","Assembly of calix[4]arene carboxylic acid derivatives by hydrogen bonding","CrystEngComm","2019","21","3","439","","10.1039/C8CE01655K","","","0.71073","MoKα","","0.0906","0.0649","","","0.1833","0.1964","","","","","","1.076","","","","has coordinates","223738","2020-10-21","18:00:00",""
"7231931","22.73","0.02","26.88","0.02","28.36","0.04","90","","90","","90","","17327","3","293","2","293","2","","","","","","","","3","F d d d :2","-F 2uv 2vw","70","","","","- C44 H52 O11 -","- C44 H52 O11 -","- C704 H832 O176 -","16","0.5","","Xiao, Zufeng; Yang, Weiping; Yan, Fengyi; Ji, Lingbo; Li, Wei; Wang, Wei","Assembly of calix[4]arene carboxylic acid derivatives by hydrogen bonding","CrystEngComm","2019","21","3","439","","10.1039/C8CE01655K","","","0.71073","MoKα","","0.0963","0.0755","","","0.2592","0.2927","","","","","","1.185","","","","has coordinates,has disorder","223738","2020-10-21","18:00:00",""
"7231932","10.6822","0.0018","17.951","0.003","23.18","0.004","90","","95.295","0.003","90","","4425.9","1.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C45 H52 O12 -","- C45 H52 O12 -","- C180 H208 O48 -","4","1","","Xiao, Zufeng; Yang, Weiping; Yan, Fengyi; Ji, Lingbo; Li, Wei; Wang, Wei","Assembly of calix[4]arene carboxylic acid derivatives by hydrogen bonding","CrystEngComm","2019","21","3","439","","10.1039/C8CE01655K","","","0.71073","MoKα","","0.1457","0.0975","","","0.2736","0.3252","","","","","","1.083","","","","has coordinates,has disorder","223738","2020-10-21","18:00:00",""
"7231933","10.6209","0.0014","17.125","0.002","22.296","0.003","90","","95.218","0.002","90","","4038.5","0.9","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C42.25 H51 O13 -","- C42.25 H51 O13 -","- C169 H204 O52 -","4","1","","Xiao, Zufeng; Yang, Weiping; Yan, Fengyi; Ji, Lingbo; Li, Wei; Wang, Wei","Assembly of calix[4]arene carboxylic acid derivatives by hydrogen bonding","CrystEngComm","2019","21","3","439","","10.1039/C8CE01655K","","","0.71073","MoKα","","0.1129","0.0869","","","0.2315","0.2495","","","","","","1.017","","","","has coordinates,has disorder","223738","2020-10-21","18:00:00",""
"7231934","18.745","0.007","18.745","0.007","16.688","0.006","90","","90","","90","","5864","4","100","2","100","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C64 H68 N4 O12 -","- C64 H68 N4 O12 -","- C256 H272 N16 O48 -","4","0.25","","Xiao, Zufeng; Yang, Weiping; Yan, Fengyi; Ji, Lingbo; Li, Wei; Wang, Wei","Assembly of calix[4]arene carboxylic acid derivatives by hydrogen bonding","CrystEngComm","2019","21","3","439","","10.1039/C8CE01655K","","","0.71073","MoKα","","0.0621","0.0468","","","0.1394","0.1486","","","","","","1.106","","","","has coordinates","223738","2020-10-21","18:00:00",""
"7231935","17.9565","0.0016","17.9565","0.0016","12.1543","0.0011","90","","90","","90","","3919","0.6","100","2","100","2","","","","","","","","3","P -4","P -4","81","","","","- C44 H48 O12 -","- C44 H48 O12 -","- C176 H192 O48 -","4","1","","Xiao, Zufeng; Yang, Weiping; Yan, Fengyi; Ji, Lingbo; Li, Wei; Wang, Wei","Assembly of calix[4]arene carboxylic acid derivatives by hydrogen bonding","CrystEngComm","2019","21","3","439","","10.1039/C8CE01655K","","","0.71073","MoKα","","0.0627","0.04","","","0.088","0.0958","","","","","","1","","","","has coordinates","223738","2020-10-21","18:00:00",""
"7231936","7.148","0.0002","9.283","0.0002","17.067","0.0006","105.716","0.0009","98.767","0.001","95.949","0.0014","1064.83","0.05","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H12 Cl3 F2 N2 O3 Re -","- C19 H12 Cl3 F2 N2 O3 Re -","- C38 H24 Cl6 F4 N4 O6 Re2 -","2","1","","Kia, Reza; Mahmoudi, Soheil; Raithby, Paul R.","New rhenium-tricarbonyl complexes bearing halogen-substituted bidentate ligands: structural, computational and Hirshfeld surfaces studies","CrystEngComm","2019","21","1","77","","10.1039/C8CE01860J","","","0.71073","MoKα","","0.0451","0.0382","","","0.0912","0.0951","","","","","","1.059","","","","has coordinates","223521","2020-10-21","18:00:00",""
"7231937","7.1653","0.0003","10.1441","0.0005","16.1968","0.001","86.971","0.004","82.27","0.004","71.257","0.004","1104.65","0.1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H12 Br Cl4 N2 O3 Re -","- C19 H12 Br Cl4 N2 O3 Re -","- C38 H24 Br2 Cl8 N4 O6 Re2 -","2","1","","Kia, Reza; Mahmoudi, Soheil; Raithby, Paul R.","New rhenium-tricarbonyl complexes bearing halogen-substituted bidentate ligands: structural, computational and Hirshfeld surfaces studies","CrystEngComm","2019","21","1","77","","10.1039/C8CE01860J","","","0.71073","MoKα","","0.041","0.0353","","","0.0691","0.0722","","","","","","1.031","","","","has coordinates","223521","2020-10-21","18:00:00",""
"7231938","7.3756","0.0004","8.8914","0.0004","16.9636","0.001","98.004","0.004","90.442","0.005","105.113","0.004","1062.4","0.1","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C19 H12 Br2 Cl F2 N2 O3 Re -","- C19 H12 Br2 Cl F2 N2 O3 Re -","- C38 H24 Br4 Cl2 F4 N4 O6 Re2 -","2","1","","Kia, Reza; Mahmoudi, Soheil; Raithby, Paul R.","New rhenium-tricarbonyl complexes bearing halogen-substituted bidentate ligands: structural, computational and Hirshfeld surfaces studies","CrystEngComm","2019","21","1","77","","10.1039/C8CE01860J","","","0.71073","MoKα","","0.0727","0.0527","","","0.1244","0.1355","","","","","","1.023","","","","has coordinates,has disorder","223521","2020-10-21","18:00:00",""
"7231939","7.36","0.0001","9.208","0.0003","16.59","0.0005","101.508","0.001","94.97","0.002","98.653","0.002","1081.25","0.05","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C19 H12 Br Cl2 F2 N2 O3 Re -","- C19 H12 Br Cl2 F2 N2 O3 Re -","- C38 H24 Br2 Cl4 F4 N4 O6 Re2 -","2","1","","Kia, Reza; Mahmoudi, Soheil; Raithby, Paul R.","New rhenium-tricarbonyl complexes bearing halogen-substituted bidentate ligands: structural, computational and Hirshfeld surfaces studies","CrystEngComm","2019","21","1","77","","10.1039/C8CE01860J","","","0.71073","MoKα","","0.0331","0.027","","","0.077","0.093","","","","","","1.261","","","","has coordinates","223521","2020-10-21","18:00:00",""
"7231940","7.121","0.0001","33.788","0.0007","9.478","0.0002","90","","96.024","0.0008","90","","2267.86","0.07","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H12 Cl5 N2 O3 Re -","- C19 H12 Cl5 N2 O3 Re -","- C76 H48 Cl20 N8 O12 Re4 -","4","1","","Kia, Reza; Mahmoudi, Soheil; Raithby, Paul R.","New rhenium-tricarbonyl complexes bearing halogen-substituted bidentate ligands: structural, computational and Hirshfeld surfaces studies","CrystEngComm","2019","21","1","77","","10.1039/C8CE01860J","","","0.71073","MoKα","","0.0618","0.0336","","","0.0532","0.0596","","","","","","1.012","","","","has coordinates","223521","2020-10-21","18:00:00",""
"7231941","15.453","0.0005","7.073","0.0002","23.529","0.0008","90","","126.135","0.0011","90","","2076.98","0.12","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H12 Cl3 F2 N2 O3 Re -","- C19 H12 Cl3 F2 N2 O3 Re -","- C76 H48 Cl12 F8 N8 O12 Re4 -","4","1","","Kia, Reza; Mahmoudi, Soheil; Raithby, Paul R.","New rhenium-tricarbonyl complexes bearing halogen-substituted bidentate ligands: structural, computational and Hirshfeld surfaces studies","CrystEngComm","2019","21","1","77","","10.1039/C8CE01860J","","","0.71073","MoKα","","0.0671","0.0435","","","0.0957","0.1081","","","","","","1.03","","","","has coordinates","223521","2020-10-21","18:00:00",""
"7231942","7.3006","0.0005","11.598","0.0007","12.6789","0.0008","104.105","0.005","97.855","0.005","96.998","0.005","1017.88","0.12","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H12 Cl3 F2 N2 O3 Re -","- C19 H12 Cl3 F2 N2 O3 Re -","- C38 H24 Cl6 F4 N4 O6 Re2 -","2","1","","Kia, Reza; Mahmoudi, Soheil; Raithby, Paul R.","New rhenium-tricarbonyl complexes bearing halogen-substituted bidentate ligands: structural, computational and Hirshfeld surfaces studies","CrystEngComm","2019","21","1","77","","10.1039/C8CE01860J","","","0.71073","MoKα","","0.0361","0.0321","","","0.0556","0.0583","","","","","","1.019","","","","has coordinates","223521","2020-10-21","18:00:00",""
"7231943","7.2547","0.0004","26.904","0.0016","12.6293","0.0007","90","","93.127","0.006","90","","2461.3","0.2","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C21 H12 Br Cl2 F6 N2 O3 Re -","- C21 H12 Br Cl2 F6 N2 O3 Re -","- C84 H48 Br4 Cl8 F24 N8 O12 Re4 -","4","1","","Kia, Reza; Mahmoudi, Soheil; Raithby, Paul R.","New rhenium-tricarbonyl complexes bearing halogen-substituted bidentate ligands: structural, computational and Hirshfeld surfaces studies","CrystEngComm","2019","21","1","77","","10.1039/C8CE01860J","","","0.71073","MoKα","","0.0442","0.0331","","","0.0542","0.0571","","","","","","1.098","","","","has coordinates","223521","2020-10-21","18:00:00",""
"7231944","9.6938","0.0001","12.9012","0.0002","22.2519","0.0003","90","","91.119","0.001","90","","2782.33","0.06","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C21 H12 Br Cl2 F6 N2 O3 Re -","- C21 H12 Br Cl2 F6 N2 O3 Re -","- C84 H48 Br4 Cl8 F24 N8 O12 Re4 -","4","1","","Kia, Reza; Mahmoudi, Soheil; Raithby, Paul R.","New rhenium-tricarbonyl complexes bearing halogen-substituted bidentate ligands: structural, computational and Hirshfeld surfaces studies","CrystEngComm","2019","21","1","77","","10.1039/C8CE01860J","","","0.71073","MoKα","","0.0619","0.0379","","","0.0848","0.0918","","","","","","1.019","","","","has coordinates","223521","2020-10-21","18:00:00",""
"7231945","14.5589","0.0003","13.8558","0.0003","23.7553","0.0004","90","","101.602","0.002","90","","4694.13","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H72 I6 N2 Pt2 -","- C32 H72 I6 N2 Pt2 -","- C128 H288 I24 N8 Pt8 -","4","1","","Eliseeva, Anastasiya A.; Ivanov, Daniil M.; Novikov, Alexander S.; Kukushkin, Vadim Yu.","Recognition of the π-hole donor ability of iodopentafluorobenzene ‒ a conventional σ-hole donor for crystal engineering involving halogen bonding","CrystEngComm","2019","21","4","616","","10.1039/C8CE01851K","","","0.71073","MoKα","","0.0299","0.0219","","","0.0385","0.0406","","","","","","1.046","","","","has coordinates","223577","2020-10-21","18:00:00",""
"7231946","9.3533","0.0005","12.0866","0.0007","14.5096","0.0006","80.144","0.004","75.835","0.004","78.965","0.005","1547.65","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H36 F5 I4 N Pt -","- C22 H36 F5 I4 N Pt -","- C44 H72 F10 I8 N2 Pt2 -","2","1","","Eliseeva, Anastasiya A.; Ivanov, Daniil M.; Novikov, Alexander S.; Kukushkin, Vadim Yu.","Recognition of the π-hole donor ability of iodopentafluorobenzene ‒ a conventional σ-hole donor for crystal engineering involving halogen bonding","CrystEngComm","2019","21","4","616","","10.1039/C8CE01851K","","","0.71073","MoKα","","0.0424","0.0321","","","0.0729","0.0792","","","","","","1.047","","","","has coordinates","223577","2020-10-21","18:00:00",""
"7231962","9.5969","0.0007","10.9992","0.0012","14.5293","0.0012","87.894","0.012","72.005","0.009","75.7836","0.001","1412.7","0.2","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H56 Ag2 Mo8 N6 O32 -","- C32 H56 Ag2 Mo8 N6 O32 -","- C32 H56 Ag2 Mo8 N6 O32 -","1","0.5","","Kobayashi, Jun; Misawa, Toshiyuki; Umeda, Chihiro; Isono, Toru; Ono, Seiji; Naruke, Haruo; Okamura, Yosuke; Koguchi, Shinichi; Higuchi, Masashi; Nagase, Yu; Ito, Takeru","Controlled introduction of metal cations into polymerizable ionic liquid-polyoxomolybdate hybrid crystals","CrystEngComm","2019","21","4","629","","10.1039/C8CE01658E","","","0.71075","MoKα","","0.037","0.0246","","","0.0546","0.0577","","","","","","0.937","","","","has coordinates","223581","2020-10-21","18:00:00",""
"7231963","9.822","0.003","10.107","0.004","12.444","0.004","85.67","0.03","86.14","0.03","78.71","0.03","1206.2","0.7","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H36 K2 Mo8 N6 O30 -","- C24 H36 K2 Mo8 N6 O30 -","- C24 H36 K2 Mo8 N6 O30 -","1","0.5","","Kobayashi, Jun; Misawa, Toshiyuki; Umeda, Chihiro; Isono, Toru; Ono, Seiji; Naruke, Haruo; Okamura, Yosuke; Koguchi, Shinichi; Higuchi, Masashi; Nagase, Yu; Ito, Takeru","Controlled introduction of metal cations into polymerizable ionic liquid-polyoxomolybdate hybrid crystals","CrystEngComm","2019","21","4","629","","10.1039/C8CE01658E","","","0.71075","MoKα","","0.1852","0.0622","","","0.1257","0.1874","","","","","","0.948","","","","has coordinates","223581","2020-10-21","18:00:00",""
"7231964","12.4487","0.0007","14.0216","0.0008","17.0849","0.0009","112.276","0.0014","93.2135","0.0015","105.097","0.0015","2624.1","0.3","193","","193","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H45 Mo8 N6 Na O32 -","- C30 H45 Mo8 N6 Na O32 -","- C60 H90 Mo16 N12 Na2 O64 -","2","1","","Kobayashi, Jun; Misawa, Toshiyuki; Umeda, Chihiro; Isono, Toru; Ono, Seiji; Naruke, Haruo; Okamura, Yosuke; Koguchi, Shinichi; Higuchi, Masashi; Nagase, Yu; Ito, Takeru","Controlled introduction of metal cations into polymerizable ionic liquid-polyoxomolybdate hybrid crystals","CrystEngComm","2019","21","4","629","","10.1039/C8CE01658E","","","0.71075","MoKα","","0.0998","0.0768","","","0.1602","0.1742","","","","","","1.07","","","","has coordinates","223581","2020-10-21","18:00:00",""
"7231965","7.31144","0.00016","9.2985","0.0002","12.3778","0.0002","89.7413","0.0017","88.0129","0.0017","70.786","0.002","794.14","0.03","150","1","150","1","","","","","","","","3","P 1","P 1","1","","","","- C37 H52 O5 -","- C37 H52 O5 -","- C37 H52 O5 -","1","1","","Stevenson, Erin L.; Lancaster, Robert W.; Buanz, Asma B. M.; Price, Louise S.; Tocher, Derek A.; Price, Sarah L.","The solid state forms of the sex hormone 17-β-estradiol","CrystEngComm","2019","21","13","2154","","10.1039/C8CE01874J","","x-ray","1.54184","CuKα","","0.0254","0.0254","","","0.0739","0.0739","","","","","","1.051","","","","has coordinates","223638","2020-10-21","18:00:00",""
"7231966","6.58547","0.00006","23.9331","0.0003","12.23603","0.00011","90","","90","","90","","1928.53","0.03","149.98","0.1","149.98","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Beta Estradiol Propanol Solvate","","- C21 H32 O3 -","- C21 H32 O3 -","- C84 H128 O12 -","4","1","","Stevenson, Erin L.; Lancaster, Robert W.; Buanz, Asma B. M.; Price, Louise S.; Tocher, Derek A.; Price, Sarah L.","The solid state forms of the sex hormone 17-β-estradiol","CrystEngComm","2019","21","13","2154","","10.1039/C8CE01874J","","x-ray","1.54184","CuKα","","0.0366","0.0357","","","0.0975","0.0989","","","","","","1.03","","","","has coordinates","223638","2020-10-21","18:00:00",""
"7231967","6.41117","0.00007","12.19725","0.00013","37.9575","0.0004","90","","90","","90","","2968.23","0.06","150","0.1","150","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Beta Estradiol Anhydrate","","- C36 H48 O4 -","- C36 H48 O4 -","- C144 H192 O16 -","4","1","","Stevenson, Erin L.; Lancaster, Robert W.; Buanz, Asma B. M.; Price, Louise S.; Tocher, Derek A.; Price, Sarah L.","The solid state forms of the sex hormone 17-β-estradiol","CrystEngComm","2019","21","13","2154","","10.1039/C8CE01874J","","x-ray","1.54184","CuKα","","0.0397","0.0384","","","0.1003","0.1015","","","","","","1.073","","","","has coordinates","223638","2020-10-21","18:00:00",""
"7231968","6.98287","0.00007","13.56289","0.00014","18.1895","0.0002","90","","90","","90","","1722.69","0.03","160","0.1","160","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Beta Estradiol Acetontrile Solvate","","- C20 H27 N O2 -","- C20 H27 N O2 -","- C80 H108 N4 O8 -","4","1","","Stevenson, Erin L.; Lancaster, Robert W.; Buanz, Asma B. M.; Price, Louise S.; Tocher, Derek A.; Price, Sarah L.","The solid state forms of the sex hormone 17-β-estradiol","CrystEngComm","2019","21","13","2154","","10.1039/C8CE01874J","","x-ray","1.54184","CuKα","","0.0369","0.0358","","","0.0938","0.0956","","","","","","1.05","","","","has coordinates","223638","2020-10-21","18:00:00",""
"7231969","6.54127","0.00008","12.05549","0.00014","19.2527","0.0002","90","","90","","90","","1518.23","0.03","150","0.1","150","0.1","","","","","","","","3","P 2 21 21","P 2bc 2","18","","Estradiol Hemihydrate","","- C18 H25 O2.5 -","- C18 H25 O2.5 -","- C72 H100 O10 -","4","1","","Stevenson, Erin L.; Lancaster, Robert W.; Buanz, Asma B. M.; Price, Louise S.; Tocher, Derek A.; Price, Sarah L.","The solid state forms of the sex hormone 17-β-estradiol","CrystEngComm","2019","21","13","2154","","10.1039/C8CE01874J","","x-ray","1.54184","CuKα","","0.0374","0.0372","","","0.1007","0.101","","","","","","1.062","","","","has coordinates","223638","2020-10-21","18:00:00",""
"7231971","17.386","0.004","23.565","0.006","45.325","0.011","90","","90","","90","","18570","8","296","2","296.15","","","","","","","","","8","F m m m","-F 2 2","69","","","","- C48 H26 Co Mo24 N4 O89 P2 Zn8 -","- C48 H26 Co Mo24 N4 O89 P2 Zn8 -","- C192 H104 Co4 Mo96 N16 O356 P8 Zn32 -","4","0.125","","Zhang, Tianhe; Du, Jiang; Li, Zhimin; Lin, Xinyu; Wang, Lin; Yang, Li; Zhang, Tonglai","Alkali metal salts of 3,6-dinitramino-1,2,4,5-tetrazine: promising nitrogen-rich energetic materials","CrystEngComm","2019","21","4","765","","10.1039/C8CE01827H","","","0.71073","MoKα","","0.0677","0.0495","","","0.1228","0.1398","","","","","","1.12","","","","has coordinates","223583","2020-10-21","18:00:00",""
"7231972","9.4039","0.0019","7.8696","0.0016","9.4732","0.0019","90","","90","","90","","701.1","0.2","153","2","153.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C2 H2 N8 O4 -","- C2 H2 N8 O4 -","- C8 H8 N32 O16 -","4","0.5","","Zhang, Tianhe; Du, Jiang; Li, Zhimin; Lin, Xinyu; Wang, Lin; Yang, Li; Zhang, Tonglai","Alkali metal salts of 3,6-dinitramino-1,2,4,5-tetrazine: promising nitrogen-rich energetic materials","CrystEngComm","2019","21","4","765","","10.1039/C8CE01827H","","","0.71073","MoKα","","0.064","0.0606","","","0.1389","0.1402","","","","","","1.23","","","","has coordinates","223583","2020-10-21","18:00:00",""
"7231973","8.8499","0.0018","12.469","0.003","6.0807","0.0012","90","","129.15","0.03","90","","520.4","0.3","153","2","153.15","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C2 H6 N8 Na2 O7 -","- C2 H6 N8 Na2 O7 -","- C4 H12 N16 Na4 O14 -","2","0.5","","Zhang, Tianhe; Du, Jiang; Li, Zhimin; Lin, Xinyu; Wang, Lin; Yang, Li; Zhang, Tonglai","Alkali metal salts of 3,6-dinitramino-1,2,4,5-tetrazine: promising nitrogen-rich energetic materials","CrystEngComm","2019","21","4","765","","10.1039/C8CE01827H","","","0.71073","MoKα","","0.0205","0.0205","","","0.0545","0.0545","","","","","","1.067","","","","has coordinates","223583","2020-10-21","18:00:00",""
"7231974","6.1408","0.0012","14.773","0.003","11.457","0.002","90","","100.56","0.03","90","","1021.8","0.4","153","2","153.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C2 H8 Li2 N8 O8 -","- C2 H8 Li2 N8 O8 -","- C8 H32 Li8 N32 O32 -","4","0.5","","Zhang, Tianhe; Du, Jiang; Li, Zhimin; Lin, Xinyu; Wang, Lin; Yang, Li; Zhang, Tonglai","Alkali metal salts of 3,6-dinitramino-1,2,4,5-tetrazine: promising nitrogen-rich energetic materials","CrystEngComm","2019","21","4","765","","10.1039/C8CE01827H","","","0.71073","MoKα","","0.0307","0.0303","","","0.0762","0.0764","","","","","","1.083","","","","has coordinates,has disorder","223583","2020-10-21","18:00:00",""
"7231975","9.1059","0.0018","11.496","0.002","9.1102","0.0018","90","","110.86","0.03","90","","891.2","0.3","153","2","153.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C2 N8 O4 Rb2 -","- C2 N8 O4 Rb2 -","- C8 N32 O16 Rb8 -","4","0.5","","Zhang, Tianhe; Du, Jiang; Li, Zhimin; Lin, Xinyu; Wang, Lin; Yang, Li; Zhang, Tonglai","Alkali metal salts of 3,6-dinitramino-1,2,4,5-tetrazine: promising nitrogen-rich energetic materials","CrystEngComm","2019","21","4","765","","10.1039/C8CE01827H","","","0.71073","MoKα","","0.0513","0.0442","","","0.0984","0.1042","","","","","","1.237","","","","has coordinates","223583","2020-10-21","18:00:00",""
"7231976","24.506","0.005","8.0284","0.0016","4.7044","0.0009","90","","90","","90","","925.6","0.3","153","2","153.15","","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C2 H2 K2 N8 O5 -","- C2 H2 K2 N8 O5 -","- C8 H8 K8 N32 O20 -","4","0.5","","Zhang, Tianhe; Du, Jiang; Li, Zhimin; Lin, Xinyu; Wang, Lin; Yang, Li; Zhang, Tonglai","Alkali metal salts of 3,6-dinitramino-1,2,4,5-tetrazine: promising nitrogen-rich energetic materials","CrystEngComm","2019","21","4","765","","10.1039/C8CE01827H","","","0.71073","MoKα","","0.036","0.0356","","","0.0881","0.0884","","","","","","1.166","","","","has coordinates","223583","2020-10-21","18:00:00",""
"7231977","5.3925","0.0011","7.3559","0.0015","7.4275","0.0015","61.64","0.03","87.56","0.03","69.5","0.03","240.09","0.13","153","2","153.15","","","","","","","","","4","P -1","-P 1","2","","","","- C2 Cs2 N8 O4 -","- C2 Cs2 N8 O4 -","- C2 Cs2 N8 O4 -","1","0.5","","Zhang, Tianhe; Du, Jiang; Li, Zhimin; Lin, Xinyu; Wang, Lin; Yang, Li; Zhang, Tonglai","Alkali metal salts of 3,6-dinitramino-1,2,4,5-tetrazine: promising nitrogen-rich energetic materials","CrystEngComm","2019","21","4","765","","10.1039/C8CE01827H","","","0.71073","MoKα","","0.0398","0.0394","","","0.0966","0.097","","","","","","1.085","","","","has coordinates","223583","2020-10-21","18:00:00",""
"7231978","17.352","0.005","23.578","0.007","45.26","0.013","90","","90","","90","","18517","9","296","2","296.15","","","","","","","","","8","F m m m","-F 2 2","69","","","","- C48 H24 Mo24 N4 Ni O88 P2 Zn8 -","- C48 H24 Mo24 N4 Ni O88 P2 Zn8 -","- C192 H96 Mo96 N16 Ni4 O352 P8 Zn32 -","4","0.125","","Zhang, Tianhe; Du, Jiang; Li, Zhimin; Lin, Xinyu; Wang, Lin; Yang, Li; Zhang, Tonglai","Alkali metal salts of 3,6-dinitramino-1,2,4,5-tetrazine: promising nitrogen-rich energetic materials","CrystEngComm","2019","21","4","765","","10.1039/C8CE01827H","","","0.71073","MoKα","","0.1517","0.1238","","","0.2686","0.2888","","","","","","1.147","","","","has coordinates","223583","2020-10-21","18:00:00",""
"7231979","11.7153","0.0005","7.8003","0.0003","23.8533","0.001","90","","96.471","0.001","90","","2165.9","0.15","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H40 N6 O9 Pb2 -","- C44 H40 N6 O9 Pb2 -","- C88 H80 N12 O18 Pb4 -","2","0.5","","Zhang, Xiutang; Chen, Hongtai; Li, Bin; Liu, Guangzeng; Liu, Xinzheng","Construction of functional coordination polymers derived from designed flexible bis(4-carboxybenzyl)amine","CrystEngComm","2019","21","8","1231","","10.1039/C8CE01418C","","","0.71073","MoKα","","0.078","0.0692","","","0.1892","0.2051","","","","","","1.004","","","","has coordinates","223526","2020-10-21","18:00:00",""
"7231980","19.4892","0.0011","16.7208","0.001","19.5898","0.0016","90","","119.827","0.001","90","","5538.2","0.6","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C60 H58 N10 O10 Zn2 -","- C60 H58 N10 O10 Zn2 -","- C240 H232 N40 O40 Zn8 -","4","1","","Zhang, Xiutang; Chen, Hongtai; Li, Bin; Liu, Guangzeng; Liu, Xinzheng","Construction of functional coordination polymers derived from designed flexible bis(4-carboxybenzyl)amine","CrystEngComm","2019","21","8","1231","","10.1039/C8CE01418C","","","0.71073","MoKα","","0.1191","0.0747","","","0.1531","0.1849","","","","","","1.066","","","","has coordinates","223526","2020-10-21","18:00:00",""
"7231981","10.1766","0.0004","18.0574","0.0008","15.0263","0.0006","90","","108.487","0.001","90","","2618.78","0.19","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H25 N5 O5 Zn -","- C28 H25 N5 O5 Zn -","- C112 H100 N20 O20 Zn4 -","4","1","","Zhang, Xiutang; Chen, Hongtai; Li, Bin; Liu, Guangzeng; Liu, Xinzheng","Construction of functional coordination polymers derived from designed flexible bis(4-carboxybenzyl)amine","CrystEngComm","2019","21","8","1231","","10.1039/C8CE01418C","","","0.71073","MoKα","","0.0624","0.0438","","","0.1085","0.1188","","","","","","1.002","","","","has coordinates","223526","2020-10-21","18:00:00",""
"7231982","22.0684","0.0009","17.0982","0.0007","14.8533","0.0006","90","","104.666","0.001","90","","5422","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H50 Cd2 N10 O10 -","- C56 H50 Cd2 N10 O10 -","- C224 H200 Cd8 N40 O40 -","4","1","","Zhang, Xiutang; Chen, Hongtai; Li, Bin; Liu, Guangzeng; Liu, Xinzheng","Construction of functional coordination polymers derived from designed flexible bis(4-carboxybenzyl)amine","CrystEngComm","2019","21","8","1231","","10.1039/C8CE01418C","","","0.71073","MoKα","","0.069","0.054","","","0.1565","0.1695","","","","","","1.002","","","","has coordinates","223526","2020-10-21","18:00:00",""
"7231983","21.6439","0.0009","12.7102","0.0005","22.4458","0.0009","90","","111.555","0.005","90","","5743","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H80 Ge2 O120 W20 Zr4 -","- C4 H4 Ge2 O106 W20 Zr4 -","- C8 H8 Ge4 O212 W40 Zr8 -","2","0.5","","Ni, Zhi-Hui; Li, Hai-Lou; Li, Xu-Yan; Yang, Guo-Yu","Zr4-Substituted polyoxometalate dimers decorated by d-tartaric acid/glycolic acid: syntheses, structures and optical/electrochemical properties","CrystEngComm","2019","21","5","876","","10.1039/C8CE01936C","","","0.71073","MoKα","","0.1312","0.0922","","","0.2202","0.2508","","","","","","1.089","","","","has coordinates","223553","2020-10-21","18:00:00",""
"7231984","21.3684","0.0007","12.7595","0.0004","22.3975","0.0008","90","","109.631","0.004","90","","5751.7","0.4","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C4 H72 Ge2 K2 O112 W20 Zr4 -","- C4 H2 Ge2 K2 O99 W20 Zr4 -","- C8 H4 Ge4 K4 O198 W40 Zr8 -","2","1","","Ni, Zhi-Hui; Li, Hai-Lou; Li, Xu-Yan; Yang, Guo-Yu","Zr4-Substituted polyoxometalate dimers decorated by d-tartaric acid/glycolic acid: syntheses, structures and optical/electrochemical properties","CrystEngComm","2019","21","5","876","","10.1039/C8CE01936C","","","0.71073","MoKα","","0.0821","0.0612","","","0.1664","0.1809","","","","","","1","","","","has coordinates","223553","2020-10-21","18:00:00",""
"7231985","13.638","0.003","13.638","0.003","11.428","0.003","90","","90","","90","","2125.6","0.9","296.15","","296.15","","","","","","","","","6","I 41/a m d","-I 4bd 2","141","","","","- C8 H4 Cu3 N16 Na O4 -","- C8 H4 Cu3 N16 Na O4 -","- C32 H16 Cu12 N64 Na4 O16 -","4","","","Lu, Jack; Zhang, Sheng; Wu, Shuo; Zhang, Wendou; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping; Gao, Sheng-li","A 3D solvent-free energetic metal-organic framework (EMOF) achieved by removing inclusion molecules from a new coordination polymer","CrystEngComm","2018","","","","","10.1039/C8CE01803K","","","0.71073","MoKα","","0.0764","0.0534","","","0.1657","0.1803","","","","","","1.16","","","","has coordinates","212561","2020-10-21","18:00:00",""
"7231986","15.397","0.009","15.921","0.009","6.253","0.004","90","","90","","90","","1532.8","1.6","200","2","200","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C34 H30 Co N4 O8 -","- C34 H30 Co N4 O8 -","- C68 H60 Co2 N8 O16 -","2","0.5","","Kong, Jiao-Jiao; Shao, Dong; Zhang, Jia-Chen; Jiang, Yu-Xuan; Ji, Cheng-Long; Huang, Xing-Cai","From mononuclear to two-dimensional cobalt(ii) complexes based on a mixed benzimidazole‒dicarboxylate strategy: syntheses, structures, and magnetic properties","CrystEngComm","2019","21","4","749","","10.1039/C8CE01931B","","","0.71073","MoKα","","0.0349","0.0317","","","0.0856","0.0956","","","","","","1.133","","","","has coordinates","223579","2020-10-21","18:00:00",""
"7231987","8.0284","0.0014","25.322","0.005","11.209","0.002","90","","102.068","0.003","90","","2228.4","0.7","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 Co N4 O5 -","- C22 H26 Co N4 O5 -","- C88 H104 Co4 N16 O20 -","4","1","","Kong, Jiao-Jiao; Shao, Dong; Zhang, Jia-Chen; Jiang, Yu-Xuan; Ji, Cheng-Long; Huang, Xing-Cai","From mononuclear to two-dimensional cobalt(ii) complexes based on a mixed benzimidazole‒dicarboxylate strategy: syntheses, structures, and magnetic properties","CrystEngComm","2019","21","4","749","","10.1039/C8CE01931B","","","0.71073","MoKα","","0.0726","0.0532","","","0.154","0.1658","","","","","","1.066","","","","has coordinates","223579","2020-10-21","18:00:00",""
"7231988","14.6544","0.0017","9.5892","0.0011","18.448","0.002","90","","97.01","0.002","90","","2573","0.5","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H46 Co3 N6 O14 -","- C48 H46 Co3 N6 O14 -","- C96 H92 Co6 N12 O28 -","2","0.5","","Kong, Jiao-Jiao; Shao, Dong; Zhang, Jia-Chen; Jiang, Yu-Xuan; Ji, Cheng-Long; Huang, Xing-Cai","From mononuclear to two-dimensional cobalt(ii) complexes based on a mixed benzimidazole‒dicarboxylate strategy: syntheses, structures, and magnetic properties","CrystEngComm","2019","21","4","749","","10.1039/C8CE01931B","","","0.71073","MoKα","","0.045","0.0353","","","0.1016","0.1118","","","","","","1.071","","","","has coordinates","223579","2020-10-21","18:00:00",""
"7231989","11.0222","0.0014","15.1754","0.0019","19.331","0.003","90","","100.256","0.004","90","","3181.8","0.8","353","","353","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-(tris(μ4-1,1'-biphenyl-4,4'-dicarboxylato)-tris-cobalt bis(N,N-dimethylformamide)","","- C24 H19 Co1.5 N O7 -","- C24 H19 Co1.5 N O7 -","- C96 H76 Co6 N4 O28 -","4","1","","Canossa, Stefano; Fornasari, Luca; Demitri, Nicola; Mattarozzi, Monica; Choquesillo-Lazarte, Duane; Pelagatti, Paolo; Bacchi, Alessia","MOF transmetalation beyond cation substitution: defective distortion of IRMOF-9 in the spotlight","CrystEngComm","2019","21","5","827","","10.1039/C8CE01808A","","x-ray","0.71073","MoKα","","0.0508","0.0395","","","0.0892","0.0937","","","","","","1.033","","","","has coordinates,has disorder","223544","2020-10-21","18:00:00",""
"7231990","13.1391","0.0007","13.3582","0.0006","19.7524","0.001","90","","106.272","0.002","90","","3328","0.3","100","","100","","","","","","","","","5","P 1 n 1","P -2yac","7","","catena-(tris(μ4-1,1'-biphenyl-4,4'-dicarboxylato)-tris-cobalt tetra(μ1-N,N-dimethylformamide)tetra(N,N-dimethylformamide) solvate","","- C63 H73 Co3 N7 O19 -","- C63 H73 Co3 N7 O19 -","- C126 H146 Co6 N14 O38 -","2","1","","Canossa, Stefano; Fornasari, Luca; Demitri, Nicola; Mattarozzi, Monica; Choquesillo-Lazarte, Duane; Pelagatti, Paolo; Bacchi, Alessia","MOF transmetalation beyond cation substitution: defective distortion of IRMOF-9 in the spotlight","CrystEngComm","2019","21","5","827","","10.1039/C8CE01808A","","x-ray","0.71073","MoKα","","0.0342","0.0268","","","0.0601","0.0635","","","","","","1.025","","","","has coordinates","223544","2020-10-21","18:00:00",""
"7231991","17.1291","0.0004","21.8862","0.0005","26.2493","0.0007","90","","90","","90","","9840.6","0.4","258","","258","","","","","","","","","4","P n n m","-P 2 2n","58","","","","- C42 H24 Co4 O13 -","- C42.438 H24 Co4 O13 -","- C169.752 H96 Co16 O52 -","4","0.5","","Canossa, Stefano; Fornasari, Luca; Demitri, Nicola; Mattarozzi, Monica; Choquesillo-Lazarte, Duane; Pelagatti, Paolo; Bacchi, Alessia","MOF transmetalation beyond cation substitution: defective distortion of IRMOF-9 in the spotlight","CrystEngComm","2019","21","5","827","","10.1039/C8CE01808A","","x-ray","0.7","Synchrotron","","0.1212","0.1119","","","0.3473","0.3705","","","","","","1.142","","","","has coordinates,has disorder","223544","2020-10-21","18:00:00",""
"7232009","7.3687","0.0002","16.4706","0.0004","13.862","0.0004","90","","97.054","0.003","90","","1669.65","0.08","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H12 Br6 N Sb -","- C8 H12 Br6 N Sb -","- C32 H48 Br24 N4 Sb4 -","4","1","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Plyusnin, Pavel E.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halogen bonding-assisted assembly of bromoantimonate(v) and polybromide-bromoantimonate-based frameworks","CrystEngComm","2019","21","5","850","","10.1039/C8CE01944D","","x-ray","0.71073","MoKα","","0.0354","0.0276","","","0.0572","0.0595","","","","","","1.173","","","","has coordinates","223549","2020-10-21","18:00:00",""
"7232010","8.4645","0.0004","13.0802","0.0006","13.1574","0.0006","90","","105.702","0.005","90","","1402.39","0.12","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H24 Br9 N2 Sb -","- C16 H24 Br9 N2 Sb -","- C32 H48 Br18 N4 Sb2 -","2","0.5","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Plyusnin, Pavel E.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halogen bonding-assisted assembly of bromoantimonate(v) and polybromide-bromoantimonate-based frameworks","CrystEngComm","2019","21","5","850","","10.1039/C8CE01944D","","x-ray","0.71073","MoKα","","0.0427","0.0313","","","0.0516","0.0545","","","","","","1.016","","","","has coordinates","223549","2020-10-21","18:00:00",""
"7232011","7.4277","0.0005","14.1293","0.0008","16.7699","0.0007","90","","90","","90","","1759.97","0.17","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H14 Br6 N Sb -","- C9 H14 Br6 N Sb -","- C36 H56 Br24 N4 Sb4 -","4","1","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Plyusnin, Pavel E.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halogen bonding-assisted assembly of bromoantimonate(v) and polybromide-bromoantimonate-based frameworks","CrystEngComm","2019","21","5","850","","10.1039/C8CE01944D","","x-ray","0.71073","MoKα","","0.0829","0.0674","","","0.1544","0.1685","","","","","","1.048","","","","has coordinates","223549","2020-10-21","18:00:00",""
"7232012","9.947","0.0003","11.5017","0.0003","16.4632","0.0005","90","","107.201","0.003","90","","1799.27","0.09","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H14 Br6 N Sb -","- C9 H14 Br6 N Sb -","- C36 H56 Br24 N4 Sb4 -","4","1","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Plyusnin, Pavel E.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halogen bonding-assisted assembly of bromoantimonate(v) and polybromide-bromoantimonate-based frameworks","CrystEngComm","2019","21","5","850","","10.1039/C8CE01944D","","x-ray","0.71073","MoKα","","0.0303","0.022","","","0.0425","0.0446","","","","","","1.024","","","","has coordinates","223549","2020-10-21","18:00:00",""
"7232013","7.2611","0.0008","9.0862","0.001","11.1895","0.0009","67.617","0.009","87.457","0.008","72.163","0.01","647.61","0.13","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H20 Br9 N2 Sb -","- C14 H20 Br9 N2 Sb -","- C14 H20 Br9 N2 Sb -","1","0.5","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Plyusnin, Pavel E.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halogen bonding-assisted assembly of bromoantimonate(v) and polybromide-bromoantimonate-based frameworks","CrystEngComm","2019","21","5","850","","10.1039/C8CE01944D","","x-ray","0.71073","MoKα","","0.0678","0.0531","","","0.1248","0.1371","","","","","","1.015","","","","has coordinates","223549","2020-10-21","18:00:00",""
"7232014","8.6483","0.0004","15.1885","0.0009","13.352","0.0005","90","","98.887","0.004","90","","1732.79","0.15","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 Br11 N2 Sb -","- C24 H22 Br11 N2 Sb -","- C48 H44 Br22 N4 Sb2 -","2","0.5","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Plyusnin, Pavel E.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halogen bonding-assisted assembly of bromoantimonate(v) and polybromide-bromoantimonate-based frameworks","CrystEngComm","2019","21","5","850","","10.1039/C8CE01944D","","x-ray","0.71073","MoKα","","0.0446","0.0301","","","0.0551","0.0597","","","","","","1.015","","","","has coordinates","223549","2020-10-21","18:00:00",""
"7232015","7.3255","0.0004","20.6666","0.001","16.5665","0.0007","90","","95.627","0.004","90","","2496","0.2","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Br11 N2 Sb -","- C10 H10 Br11 N2 Sb -","- C40 H40 Br44 N8 Sb4 -","4","1","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Plyusnin, Pavel E.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halogen bonding-assisted assembly of bromoantimonate(v) and polybromide-bromoantimonate-based frameworks","CrystEngComm","2019","21","5","850","","10.1039/C8CE01944D","","x-ray","0.71073","MoKα","","0.1342","0.0906","","","0.231","0.2655","","","","","","1.086","","","","has coordinates","223549","2020-10-21","18:00:00",""
"7232016","7.2472","0.0003","9.4088","0.0005","11.5541","0.0005","69.263","0.004","81.162","0.004","71.303","0.004","697.2","0.06","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H24 Br9 N2 Sb -","- C16 H24 Br9 N2 Sb -","- C16 H24 Br9 N2 Sb -","1","0.5","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Plyusnin, Pavel E.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halogen bonding-assisted assembly of bromoantimonate(v) and polybromide-bromoantimonate-based frameworks","CrystEngComm","2019","21","5","850","","10.1039/C8CE01944D","","x-ray","0.71073","MoKα","","0.0449","0.0338","","","0.0615","0.0662","","","","","","0.991","","","","has coordinates","223549","2020-10-21","18:00:00",""
"7232017","8.9834","0.0004","10.2599","0.0005","10.3601","0.0005","94.223","0.004","102.737","0.004","111.846","0.004","851.62","0.08","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 Br9 N2 Sb -","- C26 H28 Br9 N2 Sb -","- C26 H28 Br9 N2 Sb -","1","0.5","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Plyusnin, Pavel E.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halogen bonding-assisted assembly of bromoantimonate(v) and polybromide-bromoantimonate-based frameworks","CrystEngComm","2019","21","5","850","","10.1039/C8CE01944D","","x-ray","0.71073","MoKα","","0.0469","0.0329","","","0.0539","0.059","","","","","","1.021","","","","has coordinates","223549","2020-10-21","18:00:00",""
"7232018","8.18","0.0005","12.9394","0.0008","12.5865","0.0007","90","","105.412","0.007","90","","1284.3","0.14","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 Br9 I2 N2 Sb -","- C10 H10 Br9 I2 N2 Sb -","- C20 H20 Br18 I4 N4 Sb2 -","2","0.5","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Plyusnin, Pavel E.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halogen bonding-assisted assembly of bromoantimonate(v) and polybromide-bromoantimonate-based frameworks","CrystEngComm","2019","21","5","850","","10.1039/C8CE01944D","","x-ray","0.71073","MoKα","","0.0546","0.0407","","","0.0769","0.0829","","","","","","1.017","","","","has coordinates","223549","2020-10-21","18:00:00",""
"7232019","8.4041","0.0009","13.3407","0.0016","12.2371","0.0011","90","","95.731","0.009","90","","1365.1","0.3","130","2","130","2","","","","","","","","5","I 1 m 1","I -2y","8","","","","- C12 H14 Br11 N2 Sb -","- C12 H14 Br11 N2 Sb -","- C24 H28 Br22 N4 Sb2 -","2","0.5","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Plyusnin, Pavel E.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halogen bonding-assisted assembly of bromoantimonate(v) and polybromide-bromoantimonate-based frameworks","CrystEngComm","2019","21","5","850","","10.1039/C8CE01944D","","x-ray","0.71073","MoKα","","0.0573","0.0555","","","0.1514","0.1539","","","","","","1.044","","","","has coordinates,has disorder","223549","2020-10-21","18:00:00",""
"7232020","39.377","","43.654","","38.551","","90","","90","","90","","66267.8","","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C108 H72 Co6 N18 O30 -","- C108 H72 Co6 N18 O30 -","- C1728 H1152 Co96 N288 O480 -","16","1","","Qin, Bo-Wen; Zhou, Bao-Lei; Cui, Zheng; Zhou, Lei; Zhang, Xiao-Ying; Li, Wen-Liang; Zhang, Jing-Ping","Selective CO2 adsorption and theoretical simulation of a stable Co(ii)-based metal‒organic framework with tunable crystal size","CrystEngComm","2019","21","10","1564","","10.1039/C8CE01942H","","","0.71073","MoKα","","0.0687","0.0489","","","0.1344","0.1484","","","","","","1.001","","","","has coordinates","223488","2020-10-21","18:00:00",""
"7232027","11.557","0.0004","4.03422","0.00016","27.4354","0.0015","90","","95.906","0.004","90","","1272.34","0.1","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 Br N O3 -","- C13 H12 Br N O3 -","- C52 H48 Br4 N4 O12 -","4","1","","Paikar, Arpita; Podder, Debasish; Chowdhury, Srayoshi Roy; Sasmal, Supriya; Haldar, Debasish","Bromine‒bromine interactions enhanced plasticity for the bending of a single crystal without affecting fluorescent properties","CrystEngComm","2019","21","4","589","","10.1039/C8CE02086H","","x-ray","0.71073","MoKα","","0.0448","0.0393","","","0.0846","0.0866","","","","","","1.27","","","","has coordinates","223580","2020-10-21","18:00:00",""
"7232030","7.9313","0.0008","13.313","0.002","11.6544","0.0017","90","","104.509","0.012","90","","1191.3","0.3","295","","295","","0.108","0.004","","","","","TCI Chemicals","5","P 1 21/n 1","-P 2yn","14","ROY","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","powder diffraction","","","Neutron","","","","","","","","","1.815","0.861","","","","","","","has coordinates","223672","2020-10-21","18:00:00",""
"7232031","7.7929","0.0005","13.2989","0.0018","11.5902","0.0013","90","","104.082","0.008","90","","1165.1","0.2","295","","295","","0.237","0.005","","","","","TCI Chemicals","5","P 1 21/n 1","-P 2yn","14","ROY","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","powder diffraction","","","Neutron","","","","","","","","","1.299","0.875","","","","","","","has coordinates","223672","2020-10-21","18:00:00",""
"7232032","7.592","0.0004","13.2615","0.0014","11.4988","0.0012","90","","103.49","0.008","90","","1125.77","0.18","295","","295","","0.563","0.005","","","","","TCI Chemicals","5","P 1 21/n 1","-P 2yn","14","ROY","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","powder diffraction","","","Neutron","","","","","","","","","1.25","0.818","","","","","","","has coordinates","223672","2020-10-21","18:00:00",""
"7232033","7.4909","0.0004","13.2386","0.0014","11.4562","0.0011","90","","103.241","0.007","90","","1105.9","0.17","295","","295","","0.767","0.004","","","","","TCI Chemicals","5","P 1 21/n 1","-P 2yn","14","ROY","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","powder diffraction","","","Neutron","","","","","","","","","1.233","0.824","","","","","","","has coordinates","223672","2020-10-21","18:00:00",""
"7232034","7.8517","0.0005","13.3034","0.0017","11.6174","0.0011","90","","104.251","0.008","90","","1176.1","0.2","295","","295","","0.171","0.005","","","","","TCI Chemicals","5","P 1 21/n 1","-P 2yn","14","ROY","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","powder diffraction","","","Neutron","","","","","","","","","1.454","0.852","","","","","","","has coordinates","223672","2020-10-21","18:00:00",""
"7232035","7.6938","0.0005","13.2818","0.0016","11.5506","0.0012","90","","103.783","0.006","90","","1146.3","0.2","295","","295","","0.382","0.004","","","","","TCI Chemicals","5","P 1 21/n 1","-P 2yn","14","ROY","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","powder diffraction","","","Neutron","","","","","","","","","1.198","0.814","","","","","","","has coordinates","223672","2020-10-21","18:00:00",""
"7232036","7.2068","0.0006","13.153","0.002","11.3365","0.0016","90","","102.812","0.011","90","","1047.8","0.2","295","","295","","1.63","0.006","","","","","TCI Chemicals","5","P 1 21/n 1","-P 2yn","14","ROY","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","powder diffraction","","","Neutron","","","","","","","","","1.147","0.834","","","","","","","has coordinates","223672","2020-10-21","18:00:00",""
"7232037","7.4126","0.0004","13.2122","0.0015","11.4253","0.0011","90","","103.122","0.008","90","","1089.74","0.18","295","","295","","0.975","0.005","","","","","TCI Chemicals","5","P 1 21/n 1","-P 2yn","14","ROY","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","powder diffraction","","","Neutron","","","","","","","","","1.25","0.777","","","","","","","has coordinates","223672","2020-10-21","18:00:00",""
"7232038","6.9954","0.0005","13.0631","0.0018","11.2417","0.0013","90","","102.703","0.009","90","","1002.1","0.2","295","","295","","2.628","0.006","","","","","TCI Chemicals","5","P 1 21/n 1","-P 2yn","14","ROY","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","powder diffraction","","","Neutron","","","","","","","","","1.558","1.063","","","","","","","has coordinates","223672","2020-10-21","18:00:00",""
"7232039","7.8566","0.0004","13.3005","0.0015","11.6219","0.001","90","","104.253","0.007","90","","1177.07","0.18","295","","295","","0.152","0.004","","","","","TCI Chemicals","5","P 1 21/n 1","-P 2yn","14","ROY","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","powder diffraction","","","Neutron","","","","","","","","","1.331","0.87","","","","","","","has coordinates","223672","2020-10-21","18:00:00",""
"7232040","6.8305","0.0005","12.9782","0.0018","11.1656","0.0013","90","","102.712","0.008","90","","965.54","0.19","295","","295","","3.751","0.007","","","","","TCI Chemicals","5","P 1 21/n 1","-P 2yn","14","ROY","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","powder diffraction","","","Neutron","","","","","","","","","1.09","1.04","","","","","","","has coordinates","223672","2020-10-21","18:00:00",""
"7232041","6.6919","0.0005","12.9085","0.0017","11.0915","0.0013","90","","102.807","0.009","90","","934.27","0.18","295","","295","","5.01","0.008","","","","","TCI Chemicals","5","P 1 21/n 1","-P 2yn","14","ROY","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","powder diffraction","","","Neutron","","","","","","","","","0.968","0.925","","","","","","","has coordinates","223672","2020-10-21","18:00:00",""
"7232042","6.9097","0.0005","13.022","0.002","11.1993","0.0015","90","","102.719","0.008","90","","983","0.2","295","","295","","3.186","0.007","","","","","TCI Chemicals","5","P 1 21/n 1","-P 2yn","14","ROY","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","powder diffraction","","","Neutron","","","","","","","","","1.132","0.858","","","","","","","has coordinates","223672","2020-10-21","18:00:00",""
"7232043","6.6153","0.0005","12.8677","0.0016","11.0478","0.0012","90","","102.898","0.008","90","","916.7","0.17","295","","295","","5.842","0.008","","","","","TCI Chemicals","5","P 1 21/n 1","-P 2yn","14","ROY","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","powder diffraction","","","Neutron","","","","","","","","","1.105","1.002","","","","","","","has coordinates","223672","2020-10-21","18:00:00",""
"7232044","8.011","0.003","13.395","0.003","11.726","0.004","90","","104.759","0.019","90","","1216.8","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","ROY-OP","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","","","","neutron","","0.0686","0.0686","","","0.1749","0.1749","","","","","","1.463","","","","has coordinates,has disorder","223672","2020-10-21","18:00:00",""
"7232045","7.765","0.003","13.283","0.003","11.615","0.004","90","","104.14","0.019","90","","1161.7","0.7","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","ROY-OP","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9.009 N3 O2 S -","- C48 H36.036 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","","","","neutron","","0.0673","0.0673","","","0.1795","0.1795","","","","","","1.498","","","","has coordinates,has disorder","223672","2020-10-21","18:00:00",""
"7232046","7.713","0.002","13.271","0.003","11.611","0.004","90","","104.004","0.019","90","","1153.2","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","ROY-OP","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","","","","neutron","","0.0701","0.0701","","","0.1881","0.1881","","","","","","1.549","","","","has coordinates,has disorder","223672","2020-10-21","18:00:00",""
"7232047","7.651","0.002","13.243","0.003","11.624","0.004","90","","104.118","0.019","90","","1142.2","0.6","40","2","166","13","","","","","","","","5","P 1 21/n 1","-P 2yn","14","ROY-OP","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","","","","neutron","","0.069","0.069","","","0.1795","0.1795","","","","","","1.448","","","","has coordinates","223672","2020-10-21","18:00:00",""
"7232048","7.67","0.002","13.254","0.003","11.618","0.004","90","","104.066","0.018","90","","1145.7","0.6","60","2","60","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","ROY-OP","5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia","Structural behaviour of OP-ROY at extreme conditions","CrystEngComm","2019","21","30","4473","","10.1039/C8CE01946K","","","","neutron","","0.0718","0.0718","","","0.1909","0.1909","","","","","","1.551","","","","has coordinates,has disorder","223672","2020-10-21","18:00:00",""
"7232049","11.4105","0.0006","13.539","0.0007","15.3325","0.0008","88.783","0.004","68.821","0.005","68.65","0.005","2040.5","0.2","298","2","298","","","","","","","","","5","P -1","-P 1","2","","","","- C86 H84 N6 O18 Sm2 -","- C86 H84 N6 O18 Sm2 -","- C86 H84 N6 O18 Sm2 -","1","0.5","","Xu, Yuan-Yi; Chen, Peng; Gao, Ting; Li, Hong-Feng; Yan, Peng-Fei","White-light emission based on a single component Sm(iii) complex and enhanced optical properties by doping methods","CrystEngComm","2019","21","6","964","","10.1039/C8CE01919C","","","0.71073","MoKα","","0.0616","0.0411","","","0.074","0.0833","","","","","","1.026","","","","has coordinates,has disorder","223599","2020-10-21","18:00:00",""
"7232050","11.3766","0.0007","13.5678","0.0009","15.2994","0.0011","89.045","0.006","68.623","0.007","69.011","0.006","2035.5","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C86 H84 Gd2 N6 O18 -","- C86 H84 Gd2 N6 O18 -","- C86 H84 Gd2 N6 O18 -","1","0.5","","Xu, Yuan-Yi; Chen, Peng; Gao, Ting; Li, Hong-Feng; Yan, Peng-Fei","White-light emission based on a single component Sm(iii) complex and enhanced optical properties by doping methods","CrystEngComm","2019","21","6","964","","10.1039/C8CE01919C","","","0.71073","MoKα","","0.0695","0.0452","","","0.0758","0.0865","","","","","","1.024","","","","has coordinates,has disorder","223599","2020-10-21","18:00:00",""
"7232051","11.4004","0.001","13.5367","0.0012","15.3073","0.0013","88.899","0.007","68.79","0.008","68.798","0.008","2036.2","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C86 H84 Eu2 N6 O18 -","- C86 H84 Eu2 N6 O18 -","- C86 H84 Eu2 N6 O18 -","1","0.5","","Xu, Yuan-Yi; Chen, Peng; Gao, Ting; Li, Hong-Feng; Yan, Peng-Fei","White-light emission based on a single component Sm(iii) complex and enhanced optical properties by doping methods","CrystEngComm","2019","21","6","964","","10.1039/C8CE01919C","","","0.71073","MoKα","","0.0647","0.0438","","","0.0791","0.0906","","","","","","1.039","","","","has coordinates,has disorder","223599","2020-10-21","18:00:00",""
"7232052","9.888","0.0012","7.9929","0.0009","15.162","0.0018","90","","90","","90","","1198.3","0.2","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","isonicotinamide","4-pyridinecarboxamide","","- C6 H6 N2 O -","- C6 H6 N2 O -","- C48 H48 N16 O8 -","8","2","","Vicatos, Alexios I.; Caira, Mino R.","A new polymorph of the common coformer isonicotinamide","CrystEngComm","2019","21","5","843","","10.1039/C8CE01588K","","","0.71073","MoKα","","0.0564","0.0532","","","0.1414","0.1455","","","","","","1.035","","","","has coordinates","223547","2020-10-21","18:00:00",""
"7232053","8.595","0.007","4.645","0.004","22.624","0.018","90","","91.293","0.018","90","","903","1.3","149.61","","149.61","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 N6 O6 -","- C18 H18 N6 O6 -","- C36 H36 N12 O12 -","2","0.5","","Wenholz, Daniel S.; Bhadbhade, Mohan; Kandemir, Hakan; Ho, Junming; Kumar, Naresh; Black, David StC.","Substituent effects in solid-state assembly of activated benzotriazoles","CrystEngComm","2019","21","5","835","","10.1039/C8CE01757C","","","0.71073","MoKα","","0.236","0.0936","","","0.1552","0.2091","","","","","","0.991","","","","has coordinates","223552","2020-10-21","18:00:00",""
"7232054","13.5266","0.0018","10.2411","0.0014","13.4172","0.0017","90","","116.838","0.004","90","","1658.4","0.4","149.15","","149.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H9 N3 O2 -","- C8 H9 N3 O2 -","- C64 H72 N24 O16 -","8","1","","Wenholz, Daniel S.; Bhadbhade, Mohan; Kandemir, Hakan; Ho, Junming; Kumar, Naresh; Black, David StC.","Substituent effects in solid-state assembly of activated benzotriazoles","CrystEngComm","2019","21","5","835","","10.1039/C8CE01757C","","","0.71073","MoKα","","0.0815","0.0472","","","0.1134","0.136","","","","","","1.059","","","","has coordinates","223552","2020-10-21","18:00:00",""
"7232055","6.018","0.0007","7.393","0.0009","9.3115","0.001","77.213","0.007","82.358","0.007","86.071","0.008","400.09","0.08","149.61","","149.61","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H14 N6 O6 -","- C16 H14 N6 O6 -","- C16 H14 N6 O6 -","1","0.5","","Wenholz, Daniel S.; Bhadbhade, Mohan; Kandemir, Hakan; Ho, Junming; Kumar, Naresh; Black, David StC.","Substituent effects in solid-state assembly of activated benzotriazoles","CrystEngComm","2019","21","5","835","","10.1039/C8CE01757C","","","0.71073","MoKα","","0.1179","0.0583","","","0.1212","0.145","","","","","","1.035","","","","has coordinates","223552","2020-10-21","18:00:00",""
"7232056","9.3151","0.0003","4.9197","0.0002","16.7332","0.0006","90","","95.356","0.001","90","","763.49","0.05","150.02","","150.02","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N6 O2 -","- C16 H14 N6 O2 -","- C32 H28 N12 O4 -","2","0.5","","Wenholz, Daniel S.; Bhadbhade, Mohan; Kandemir, Hakan; Ho, Junming; Kumar, Naresh; Black, David StC.","Substituent effects in solid-state assembly of activated benzotriazoles","CrystEngComm","2019","21","5","835","","10.1039/C8CE01757C","","","0.71073","MoKα","","0.0413","0.0385","","","0.0959","0.0983","","","","","","1.038","","","","has coordinates","223552","2020-10-21","18:00:00",""
"7232057","4.669","0.005","8.554","0.008","28.15","0.03","90","","90","","90","","1124","2","149.59","","149.59","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H10 Cl N3 O3 -","- C10 H10 Cl N3 O3 -","- C40 H40 Cl4 N12 O12 -","4","1","","Wenholz, Daniel S.; Bhadbhade, Mohan; Kandemir, Hakan; Ho, Junming; Kumar, Naresh; Black, David StC.","Substituent effects in solid-state assembly of activated benzotriazoles","CrystEngComm","2019","21","5","835","","10.1039/C8CE01757C","","","0.71073","MoKα","","0.087","0.0634","","","0.1382","0.1478","","","","","","1.058","","","","has coordinates","223552","2020-10-21","18:00:00",""
"7232058","13.073","0.006","4.901","0.002","16.934","0.008","90","","106.837","0.013","90","","1038.5","0.8","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 N3 O4 -","- C10 H11 N3 O4 -","- C40 H44 N12 O16 -","4","1","","Wenholz, Daniel S.; Bhadbhade, Mohan; Kandemir, Hakan; Ho, Junming; Kumar, Naresh; Black, David StC.","Substituent effects in solid-state assembly of activated benzotriazoles","CrystEngComm","2019","21","5","835","","10.1039/C8CE01757C","","","0.71073","MoKα","","0.149","0.088","","","0.1681","0.1914","","","","","","1.043","","","","has coordinates","223552","2020-10-21","18:00:00",""
"7232059","9.9817","0.0012","6.6498","0.0008","15.4052","0.0018","90","","90","","90","","1022.5","0.2","150","","150","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C10 H11 N3 O3 -","- C10 H11 N3 O3 -","- C40 H44 N12 O12 -","4","0.5","","Wenholz, Daniel S.; Bhadbhade, Mohan; Kandemir, Hakan; Ho, Junming; Kumar, Naresh; Black, David StC.","Substituent effects in solid-state assembly of activated benzotriazoles","CrystEngComm","2019","21","5","835","","10.1039/C8CE01757C","","","0.71073","MoKα","","0.0444","0.0388","","","0.1038","0.109","","","","","","1.111","","","","has coordinates","223552","2020-10-21","18:00:00",""
"7232060","6.1954","0.0013","9.278","0.002","9.776","0.002","90","","91.993","0.006","90","","561.6","0.2","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H2 N14 O2 -","- C6 H2 N14 O2 -","- C12 H4 N28 O4 -","2","0.5","","Liu, Yang; Shen, Cheng; Lu, Ming","Boosting the performance of energetic materials through thermally-induced conformational transition","CrystEngComm","2019","21","5","796","","10.1039/C8CE01825A","","","0.71073","MoKα","","0.0652","0.0622","","","0.1858","0.1884","","","","","","1.188","","","","has coordinates","223551","2020-10-21","18:00:00",""
"7232061","5.7955","0.0012","9.7961","0.0019","19.767","0.004","90","","92.904","0.007","90","","1120.8","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H2 N14 O2 -","- C6 H2 N14 O2 -","- C24 H8 N56 O8 -","4","1","","Liu, Yang; Shen, Cheng; Lu, Ming","Boosting the performance of energetic materials through thermally-induced conformational transition","CrystEngComm","2019","21","5","796","","10.1039/C8CE01825A","","","0.71073","MoKα","","0.0653","0.0507","","","0.1296","0.1381","","","","","","1.046","","","","has coordinates","223551","2020-10-21","18:00:00",""
"7232062","12.452","0.0005","13.7523","0.0006","25.1444","0.0009","91.559","0.001","95.731","0.001","102.126","0.001","4183.6","0.3","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C62 H54 F18 N16 Ni4 O26 S6 -","- C62 H40 F18 N16 Ni4 O26 S6 -","- C124 H80 F36 N32 Ni8 O52 S12 -","2","1","","Marino, Nadia; Bruno, Rosaria; Bentama, Abdeslem; Pascual-Álvarez, Alejandro; Lloret, Francesc; Julve, Miguel; De Munno, Giovanni","Magneto-structural correlations in Ni(ii) [2 ×2] metallogrids featuring a variable number of μ-aquo or μ-hydroxo extra bridges","CrystEngComm","2019","21","5","917","","10.1039/C8CE01894D","","","0.71073","MoKα","","0.0616","0.047","","","0.14","0.1528","","","","","","1.024","","","","has coordinates","223548","2020-10-21","18:00:00",""
"7232063","12.3939","0.0006","26.0105","0.0012","26.2478","0.0013","112.794","0.0015","95.4248","0.0017","97.6923","0.0018","7630.6","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C112 H118 Cl12 N32 Ni8 O69 -","- C112 H80 Cl12 N32 Ni8 O69 -","- C224 H160 Cl24 N64 Ni16 O138 -","2","1","","Marino, Nadia; Bruno, Rosaria; Bentama, Abdeslem; Pascual-Álvarez, Alejandro; Lloret, Francesc; Julve, Miguel; De Munno, Giovanni","Magneto-structural correlations in Ni(ii) [2 ×2] metallogrids featuring a variable number of μ-aquo or μ-hydroxo extra bridges","CrystEngComm","2019","21","5","917","","10.1039/C8CE01894D","","","0.71073","MoKα","","0.1088","0.0603","","","0.1418","0.1685","","","","","","1.03","","","","has coordinates,has disorder","223548","2020-10-21","18:00:00",""
"7232064","14.587","0.001","14.7541","0.0009","18.4452","0.0012","95.571","0.003","97.055","0.003","90.12","0.003","3920.7","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H74 N22 Ni4 O36 -","- C56 H40 N22 Ni4 O36 -","- C112 H80 N44 Ni8 O72 -","2","1","","Marino, Nadia; Bruno, Rosaria; Bentama, Abdeslem; Pascual-Álvarez, Alejandro; Lloret, Francesc; Julve, Miguel; De Munno, Giovanni","Magneto-structural correlations in Ni(ii) [2 ×2] metallogrids featuring a variable number of μ-aquo or μ-hydroxo extra bridges","CrystEngComm","2019","21","5","917","","10.1039/C8CE01894D","","","0.71073","MoKα","","0.1257","0.1095","","","0.2901","0.3103","","","","","","1.048","","","","has coordinates,has disorder","223548","2020-10-21","18:00:00",""
"7232065","12.4085","0.0004","23.2955","0.0008","28.0056","0.0009","86.006","0.002","81.19","0.002","83.687","0.002","7939.8","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C120 H134 Cl10 N32 Ni8 O62 -","- C120 H104 Cl10.0001 N32 Ni8 O61.9996 -","- C240 H208 Cl20.0002 N64 Ni16 O123.999 -","2","1","","Marino, Nadia; Bruno, Rosaria; Bentama, Abdeslem; Pascual-Álvarez, Alejandro; Lloret, Francesc; Julve, Miguel; De Munno, Giovanni","Magneto-structural correlations in Ni(ii) [2 ×2] metallogrids featuring a variable number of μ-aquo or μ-hydroxo extra bridges","CrystEngComm","2019","21","5","917","","10.1039/C8CE01894D","","","0.71073","MoKα","","0.0744","0.0591","","","0.1711","0.1863","","","","","","1.042","","","","has coordinates,has disorder","223548","2020-10-21","18:00:00",""
"7232066","14.587","0.001","14.7541","0.0009","18.4452","0.0012","95.571","0.003","97.055","0.003","90.12","0.003","3920.7","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H74 N22 Ni4 O36 -","- C56 H40 N16 Ni4 O4 -","- C112 H80 N32 Ni8 O8 -","2","1","","Marino, Nadia; Bruno, Rosaria; Bentama, Abdeslem; Pascual-Álvarez, Alejandro; Lloret, Francesc; Julve, Miguel; De Munno, Giovanni","Magneto-structural correlations in Ni(ii) [2 ×2] metallogrids featuring a variable number of μ-aquo or μ-hydroxo extra bridges","CrystEngComm","2019","21","5","917","","10.1039/C8CE01894D","","","0.71073","MoKα","","0.08","0.0712","","","0.2078","0.2149","","","","","","1.104","","","","has coordinates","223548","2020-10-21","18:00:00",""
"7232067","27.5506","0.0015","13.4067","0.0007","22.7853","0.0012","90","","98.378","0.001","90","","8326.2","0.8","296","2","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H214 Al4 Cu6 Mo24 N24 O143 -","- C24 H214 Al4 Cu6 Mo24 N24 O143 -","- C48 H428 Al8 Cu12 Mo48 N48 O286 -","2","0.25","","Ying, Jun; Chen, Ya-Guang; Wang, Xiu-Yan","A series of 0D to 3D Anderson-type polyoxometalate-based compounds obtained under ambient and hydrothermal conditions","CrystEngComm","2019","21","7","1168","","10.1039/C8CE01971A","","","0.71073","MoKα","","0.0399","0.0277","","","0.0575","0.0608","","","","","","1.053","","","","has coordinates,has disorder","223658","2020-10-21","18:00:00",""
"7232068","8.2068","0.0005","21.0385","0.0013","24.5141","0.0015","90","","96.205","0.001","90","","4207.8","0.4","296","2","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H34 Cr Cu Mo6 N12 O31 -","- C12 H34 Cr Cu Mo6 N12 O31 -","- C48 H136 Cr4 Cu4 Mo24 N48 O124 -","4","1","","Ying, Jun; Chen, Ya-Guang; Wang, Xiu-Yan","A series of 0D to 3D Anderson-type polyoxometalate-based compounds obtained under ambient and hydrothermal conditions","CrystEngComm","2019","21","7","1168","","10.1039/C8CE01971A","","","0.71073","MoKα","","0.0864","0.044","","","0.0818","0.096","","","","","","0.988","","","","has coordinates,has disorder","223658","2020-10-21","18:00:00",""
"7232069","11.5188","0.0005","5.9468","0.0003","21.01","0.001","90","","99.854","0.001","90","","1417.95","0.12","296","2","296.15","","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","","","- C7 H20 Cr Cu2 K Mo6 N6 O26 -","- C7 H20 Cr Cu2 K Mo6 N6 O26 -","- C14 H40 Cr2 Cu4 K2 Mo12 N12 O52 -","2","0.5","","Ying, Jun; Chen, Ya-Guang; Wang, Xiu-Yan","A series of 0D to 3D Anderson-type polyoxometalate-based compounds obtained under ambient and hydrothermal conditions","CrystEngComm","2019","21","7","1168","","10.1039/C8CE01971A","","","0.71073","MoKα","","0.0292","0.0249","","","0.0615","0.0631","","","","","","1.085","","","","has coordinates","223658","2020-10-21","18:00:00",""
"7232070","27.6717","0.0016","13.4767","0.0008","22.8522","0.0013","90","","98.44","0.001","90","","8429.8","0.8","296","2","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H107 Cr2 Cu3 Mo12 N12 O71.5 -","- C12 H107 Cr2 Cu3 Mo12 N12 O71.5 -","- C48 H428 Cr8 Cu12 Mo48 N48 O286 -","4","0.5","","Ying, Jun; Chen, Ya-Guang; Wang, Xiu-Yan","A series of 0D to 3D Anderson-type polyoxometalate-based compounds obtained under ambient and hydrothermal conditions","CrystEngComm","2019","21","7","1168","","10.1039/C8CE01971A","","","0.71073","MoKα","","0.0599","0.0358","","","0.0754","0.0838","","","","","","0.979","","","","has coordinates","223658","2020-10-21","18:00:00",""
"7232071","16.1041","0.0011","11.6957","0.0008","27.93","0.002","90","","95.28","0.002","90","","5238.3","0.6","296","2","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C14 H98 Cd3 Cr3 Mo18 N12 O102 -","- C14 H98 Cd3 Cr3 Mo18 N12 O102 -","- C28 H196 Cd6 Cr6 Mo36 N24 O204 -","2","0.5","","Ying, Jun; Chen, Ya-Guang; Wang, Xiu-Yan","A series of 0D to 3D Anderson-type polyoxometalate-based compounds obtained under ambient and hydrothermal conditions","CrystEngComm","2019","21","7","1168","","10.1039/C8CE01971A","","","0.71073","MoKα","","0.1186","0.0734","","","0.2085","0.2391","","","","","","1.04","","","","has coordinates","223658","2020-10-21","18:00:00",""
"7232072","6.4672","0.0016","10.482","0.003","13.154","0.003","87.291","0.003","85.271","0.005","84.015","0.005","883.1","0.4","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C6 H31 Al Cu2.5 Mo6 N6 O27 -","- C6 H31 Al Cu2.5 Mo6 N6 O27 -","- C6 H31 Al Cu2.5 Mo6 N6 O27 -","1","0.5","","Ying, Jun; Chen, Ya-Guang; Wang, Xiu-Yan","A series of 0D to 3D Anderson-type polyoxometalate-based compounds obtained under ambient and hydrothermal conditions","CrystEngComm","2019","21","7","1168","","10.1039/C8CE01971A","","","0.71073","MoKα","","0.1103","0.0512","","","0.112","0.1289","","","","","","0.959","","","","has coordinates","223658","2020-10-21","18:00:00",""
"7232073","6.4711","0.0003","15.2046","0.0006","16.6977","0.0007","96.961","0.001","99.683","0.001","98.53","0.001","1583.48","0.12","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C14 H52 Cr2 Cu3 Mo12 N12 O58 -","- C14 H52 Cr2 Cu3 Mo12 N12 O58 -","- C14 H52 Cr2 Cu3 Mo12 N12 O58 -","1","0.5","","Ying, Jun; Chen, Ya-Guang; Wang, Xiu-Yan","A series of 0D to 3D Anderson-type polyoxometalate-based compounds obtained under ambient and hydrothermal conditions","CrystEngComm","2019","21","7","1168","","10.1039/C8CE01971A","","","0.71073","MoKα","","0.0218","0.0195","","","0.0464","0.0474","","","","","","1.11","","","","has coordinates","223658","2020-10-21","18:00:00",""
"7232074","7.5577","0.0004","9.998","0.0005","12.26","0.0006","75.432","0.001","79.59","0.001","69.491","0.001","835.39","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H11 Cd N O6 -","- C14 H11 Cd N O6 -","- C28 H22 Cd2 N2 O12 -","2","1","","Guo, Xiuli; Xu, Jianing; Sun, Jing; Chen, Xiaodong; Wang, Li; Fan, Yong","Three layer-structured cadmium coordination polymers based on flexible 5-(4-pyridyl)-methoxylisophthalic acid: rapid synthesis and luminescence sensing","CrystEngComm","2019","21","6","1001","","10.1039/C8CE01524D","","","0.71073","MoKα","","0.0244","0.0217","","","0.0652","0.0663","","","","","","1.078","","","","has coordinates","223601","2020-10-21","18:00:00",""
"7232075","8.1208","0.0016","10.241","0.002","12.376","0.003","106.79","0.03","99.48","0.03","104.1","0.03","924.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H15 Cd N2 O7 -","- C19 H15 Cd N2 O7 -","- C38 H30 Cd2 N4 O14 -","2","1","","Guo, Xiuli; Xu, Jianing; Sun, Jing; Chen, Xiaodong; Wang, Li; Fan, Yong","Three layer-structured cadmium coordination polymers based on flexible 5-(4-pyridyl)-methoxylisophthalic acid: rapid synthesis and luminescence sensing","CrystEngComm","2019","21","6","1001","","10.1039/C8CE01524D","","","0.71073","MoKα","","0.0688","0.0497","","","0.098","0.1058","","","","","","1.033","","","","has coordinates","223601","2020-10-21","18:00:00",""
"7232076","7.6825","0.0004","10.0737","0.0004","13.2714","0.0006","70.544","0.001","89.008","0.002","74.231","0.002","928.96","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H16 Cd N O9 -","- C18 H16 Cd N O9 -","- C36 H32 Cd2 N2 O18 -","2","1","","Guo, Xiuli; Xu, Jianing; Sun, Jing; Chen, Xiaodong; Wang, Li; Fan, Yong","Three layer-structured cadmium coordination polymers based on flexible 5-(4-pyridyl)-methoxylisophthalic acid: rapid synthesis and luminescence sensing","CrystEngComm","2019","21","6","1001","","10.1039/C8CE01524D","","","0.71073","MoKα","","0.1312","0.0618","","","0.0849","0.0996","","","","","","1.013","","","","has coordinates","223601","2020-10-21","18:00:00",""
"7232077","5.6109","0.0006","14.914","0.0018","20.848","0.003","90","","96.566","0.006","90","","1733.1","0.4","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 F2 N6 O5 -","- C15 H14 F2 N6 O5 -","- C60 H56 F8 N24 O20 -","4","1","","Owoyemi, Bolaji C. Dayo; da Silva, Cecilia C. P.; Diniz, Luan F.; Souza, Matheus S.; Ellena, Javier; Carneiro, Renato L.","Fluconazolium oxalate: synthesis and structural characterization of a highly soluble crystalline form","CrystEngComm","2019","21","7","1114","","10.1039/C8CE01729H","","","0.71073","MoKα","","0.1326","0.0551","","","0.128","0.1581","","","","","","1.047","","","","has coordinates,has disorder","223653","2020-10-21","18:00:00",""
"7232078","17.96","0.004","12.903","0.002","24.414","0.004","90","","127.047","0.011","90","","4515.6","1.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H38 Cd3 N6 O17 -","- C48 H38 Cd3 N6 O17 -","- C192 H152 Cd12 N24 O68 -","4","1","","Gao, Wei; Liu, Feng; Pan, Chang-Wei; Zhang, Xiu-Mei; Liu, Jie-Ping; Gao, Qing-Yu","A stable anionic metal‒organic framework with open coordinated sites: selective separation toward cationic dyes and sensing properties","CrystEngComm","2019","21","7","1159","","10.1039/C8CE02060D","","","0.71073","MoKα","","0.0883","0.0453","","","0.0893","0.1056","","","","","","1.012","","","","has coordinates","223655","2020-10-21","18:00:00",""
"7232079","4.4913","0.0009","10.893","0.002","12.672","0.003","106.87","0.03","99.66","0.03","92.3","0.03","582.3","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H9 N4 O8 P -","- C6 H9 N4 O8 P -","- C12 H18 N8 O16 P2 -","2","1","","Sharara, Kudzaishe N.; Nyamayaro, Kudzanai; Wicht, Merrill M.; Venter, Gerhard A.; Báthori, Nikoletta B.","Multicomponent crystals of nitrofurazone ‒ when more is less","CrystEngComm","2019","21","7","1091","","10.1039/C8CE01911H","","","0.71073","MoKα","","0.033","0.0298","","","0.0789","0.0812","","","","","","1.036","","","","has coordinates","223656","2020-10-21","18:00:00",""
"7232080","4.2098","0.0005","6.9632","0.0009","14.2021","0.0018","90","","92.36","0.003","90","","415.96","0.09","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C6 H6 N4 O4 -","- C6 H6 N4 O4 -","- C12 H12 N8 O8 -","2","1","","Sharara, Kudzaishe N.; Nyamayaro, Kudzanai; Wicht, Merrill M.; Venter, Gerhard A.; Báthori, Nikoletta B.","Multicomponent crystals of nitrofurazone ‒ when more is less","CrystEngComm","2019","21","7","1091","","10.1039/C8CE01911H","","","0.71073","MoKα","","0.0397","0.0331","","","0.077","0.0806","","","","","","1.038","","","","has coordinates","223656","2020-10-21","18:00:00",""
"7232081","7.9863","0.0016","14.566","0.003","16.208","0.003","77.88","0.03","80.9","0.03","87.87","0.03","1820.2","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H27 Cl N16 O21 -","- C24 H27 Cl N16 O21 -","- C48 H54 Cl2 N32 O42 -","2","1","","Sharara, Kudzaishe N.; Nyamayaro, Kudzanai; Wicht, Merrill M.; Venter, Gerhard A.; Báthori, Nikoletta B.","Multicomponent crystals of nitrofurazone ‒ when more is less","CrystEngComm","2019","21","7","1091","","10.1039/C8CE01911H","","","0.71073","MoKα","","0.0987","0.0527","","","0.1198","0.1408","","","","","","0.964","","","","has coordinates","223656","2020-10-21","18:00:00",""
"7232082","13.4449","0.0014","7.8221","0.0009","7.8587","0.0009","90","","103.134","0.003","90","","804.86","0.16","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 N4 O4 -","- C6 H6 N4 O4 -","- C24 H24 N16 O16 -","4","1","","Sharara, Kudzaishe N.; Nyamayaro, Kudzanai; Wicht, Merrill M.; Venter, Gerhard A.; Báthori, Nikoletta B.","Multicomponent crystals of nitrofurazone ‒ when more is less","CrystEngComm","2019","21","7","1091","","10.1039/C8CE01911H","","","0.71073","MoKα","","0.0423","0.0333","","","0.0826","0.0892","","","","","","1.047","","","","has coordinates","223656","2020-10-21","18:00:00",""
"7232083","15.801","0.003","12.931","0.003","24.475","0.005","90","","90.04","0.03","90","","5000.8","1.8","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H12 N4 O6 -","- C9 H12 N4 O6 -","- C144 H192 N64 O96 -","16","4","","Sharara, Kudzaishe N.; Nyamayaro, Kudzanai; Wicht, Merrill M.; Venter, Gerhard A.; Báthori, Nikoletta B.","Multicomponent crystals of nitrofurazone ‒ when more is less","CrystEngComm","2019","21","7","1091","","10.1039/C8CE01911H","","","0.71073","MoKα","","0.0941","0.0473","","","0.1037","0.1264","","","","","","1.01","","","","has coordinates","223656","2020-10-21","18:00:00",""
"7232084","6.5991","0.0006","10.8137","0.001","15.2509","0.0012","84.753","0.003","81.706","0.003","74.843","0.003","1037.82","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H14 N20 O11 Pb2 -","- C4 H14 N20 O11 Pb2 -","- C8 H28 N40 O22 Pb4 -","2","1","","Li, Xin; Sun, Qi; Lu, Ming; Lin, Qiuhan","Improving properties of energetic coordination polymers through structural modulation from 1D to 3D without changes of ligands or metal nodes","CrystEngComm","2019","21","6","937","","10.1039/C8CE01912F","","","0.71073","MoKα","","0.1061","0.0543","","","0.0853","0.0974","","","","","","1.03","","","","has coordinates,has disorder","223597","2020-10-21","18:00:00",""
"7232085","11.4741","0.0012","17.026","0.002","5.9443","0.0006","90","","90","","90","","1161.3","0.2","173","2","173","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C2 H6 N10 O6 Pb2 -","- C2 H6 N10 O6 Pb2 -","- C8 H24 N40 O24 Pb8 -","4","0.5","","Li, Xin; Sun, Qi; Lu, Ming; Lin, Qiuhan","Improving properties of energetic coordination polymers through structural modulation from 1D to 3D without changes of ligands or metal nodes","CrystEngComm","2019","21","6","937","","10.1039/C8CE01912F","","","0.71073","MoKα","","0.0755","0.0382","","","0.0813","0.0923","","","","","","1.059","","","","has coordinates","223597","2020-10-21","18:00:00",""
"7232086","14.073","0.0006","6.8273","0.0004","12.0491","0.0007","90","","90","","90","","1157.68","0.11","150","2","150","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","3-(tert-butyl)-2H-naphtho[1,8-bc]furan-2-one","","- C15 H14 O2 -","- C15 H14 O2 -","- C60 H56 O8 -","4","0.5","","Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D.","O(−)⋯C interactions and bond formation in 1-naphtholate anions with peri-located electrophilic carbon centres","CrystEngComm","2019","21","6","1009","","10.1039/C8CE01872C","","x-ray","0.71073","MoKα","","0.064","0.0538","","","0.1367","0.1437","","","","","","1.11","","","","has coordinates","223595","2020-10-21","18:00:00",""
"7232087","12.4248","0.0005","22.9673","0.0007","9.8566","0.0004","90","","112.446","0.005","90","","2599.63","0.19","110","2","110","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-(tert-butyl)-2-methyl-2H-naphtho[1,8-bc]furan-2-ol","","- C16 H18 O2 -","- C16 H18 O2 -","- C128 H144 O16 -","8","2","","Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D.","O(−)⋯C interactions and bond formation in 1-naphtholate anions with peri-located electrophilic carbon centres","CrystEngComm","2019","21","6","1009","","10.1039/C8CE01872C","","x-ray","0.71073","MoKα","","0.0832","0.0611","","","0.1344","0.145","","","","","","1.053","","","","has coordinates,has disorder","223595","2020-10-21","18:00:00",""
"7232088","8.2578","0.0004","10.5748","0.0005","23.1819","0.0012","99.596","0.004","91.72","0.004","104.122","0.004","1930.4","0.17","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","Tetramethylguanidinium 8-benzoylnaphth-1-oate","","- C22 H25.1 N3 O2.05 -","- C22 H25.1 N3 O2.05 -","- C88 H100.4 N12 O8.2 -","4","2","","Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D.","O(−)⋯C interactions and bond formation in 1-naphtholate anions with peri-located electrophilic carbon centres","CrystEngComm","2019","21","6","1009","","10.1039/C8CE01872C","","x-ray","0.71073","MoKα","","0.0952","0.067","","","0.1155","0.1258","","","","","","1.128","","","","has coordinates","223595","2020-10-21","18:00:00",""
"7232089","17.3065","0.0005","17.6303","0.0004","8.0817","0.0002","90","","90","","90","","2465.88","0.11","110","2","110","2","","","","","","","","3","I b a 2","I 2 -2c","45","","8-Benzoyl-naphth-1-ol","","- C17 H12 O2 -","- C17 H12 O2 -","- C136 H96 O16 -","8","1","","Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D.","O(−)⋯C interactions and bond formation in 1-naphtholate anions with peri-located electrophilic carbon centres","CrystEngComm","2019","21","6","1009","","10.1039/C8CE01872C","","x-ray","0.71073","MoKα","","0.0351","0.0331","","","0.0782","0.0791","","","","","","1.056","","","","has coordinates","223595","2020-10-21","18:00:00",""
"7232090","9.9122","0.0002","13.8433","0.0003","13.9018","0.0003","90","","90","","90","","1907.57","0.07","150.01","0.1","150.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","8-Acetylnaphth-1-ol","","- C12 H10 O2 -","- C12 H10 O2 -","- C96 H80 O16 -","8","2","","Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D.","O(−)⋯C interactions and bond formation in 1-naphtholate anions with peri-located electrophilic carbon centres","CrystEngComm","2019","21","6","1009","","10.1039/C8CE01872C","","x-ray","0.71073","MoKα","","0.0506","0.0418","","","0.0908","0.0953","","","","","","1.022","","","","has coordinates","223595","2020-10-21","18:00:00",""
"7232091","15.1117","0.0006","15.6707","0.0007","16.4672","0.0007","80.552","0.004","69.591","0.004","61.179","0.004","3202.1","0.3","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","bis(dimethylamino)methaniminium 8-acetylnaphthalen-1-olate","","- C17 H23 N3 O2 -","- C17 H23 N3 O2 -","- C136 H184 N24 O16 -","8","4","","Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D.","O(−)⋯C interactions and bond formation in 1-naphtholate anions with peri-located electrophilic carbon centres","CrystEngComm","2019","21","6","1009","","10.1039/C8CE01872C","","x-ray","0.71073","MoKα","","0.0885","0.0555","","","0.1127","0.1289","","","","","","1.05","","","","has coordinates","223595","2020-10-21","18:00:00",""
"7232092","27.588","0.004","8.2227","0.0004","19.874","0.003","90","","132.66","0.03","90","","3315.4","1.8","149.97","0.12","149.97","0.12","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-(dimethylamino)pyridine 1-(8'-hydroxynaphthalen-1'-yl)ethanonemolecular complex","","- C19 H20 N2 O2 -","- C19 H20 N2 O2 -","- C152 H160 N16 O16 -","8","1","","Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D.","O(−)⋯C interactions and bond formation in 1-naphtholate anions with peri-located electrophilic carbon centres","CrystEngComm","2019","21","6","1009","","10.1039/C8CE01872C","","x-ray","0.71073","MoKα","","0.1238","0.0722","","","0.1293","0.1505","","","","","","1.095","","","","has coordinates","223595","2020-10-21","18:00:00",""
"7232093","10.1265","0.0011","25.804","0.003","7.9261","0.0007","90","","105.497","0.01","90","","1995.8","0.4","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(dimethylamino)pyridine 1-(2'-t-butyl-8'-hydroxylnaphthalen-1'-yl)ethanonemolecular complex","","- C23 H28 N2 O2 -","- C23 H28 N2 O2 -","- C92 H112 N8 O8 -","4","1","","Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D.","O(−)⋯C interactions and bond formation in 1-naphtholate anions with peri-located electrophilic carbon centres","CrystEngComm","2019","21","6","1009","","10.1039/C8CE01872C","","x-ray","0.71073","MoKα","","0.1251","0.0691","","","0.1188","0.1373","","","","","","1.027","","","","has coordinates","223595","2020-10-21","18:00:00",""
"7232094","10.8607","0.0007","8.0882","0.0005","15.3629","0.0009","90","","100.51","0.005","90","","1326.89","0.14","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","ethyl (E)-2-cyano-3-(1-hydroxynaphthalen-8-yl)acrylate","","- C16 H13 N O3 -","- C16 H13 N O3 -","- C64 H52 N4 O12 -","4","1","","Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D.","O(−)⋯C interactions and bond formation in 1-naphtholate anions with peri-located electrophilic carbon centres","CrystEngComm","2019","21","6","1009","","10.1039/C8CE01872C","","x-ray","0.71073","MoKα","","0.0695","0.0553","","","0.1163","0.1235","","","","","","1.101","","","","has coordinates","223595","2020-10-21","18:00:00",""
"7232095","9.9169","0.0005","7.4879","0.0002","15.8768","0.0006","90","","108.096","0.005","90","","1120.65","0.08","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-((8'-hydroxynaphthalen-1'-yl)methylene)malononitrile","","","- C14 H8 N2 O -","- C14 H8 N2 O -","- C56 H32 N8 O4 -","4","1","","Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D.","O(−)⋯C interactions and bond formation in 1-naphtholate anions with peri-located electrophilic carbon centres","CrystEngComm","2019","21","6","1009","","10.1039/C8CE01872C","","x-ray","0.71073","MoKα","","0.0729","0.0527","","","0.1017","0.1102","","","","","","1.098","","","","has coordinates","223595","2020-10-21","18:00:00",""
"7232096","8.4313","0.0005","26.5593","0.0011","9.5945","0.0005","90","","114.586","0.007","90","","1953.7","0.2","150","10","150","10","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(dimethylamino) pyridine 1-(8'-hydroxynaphthalen-1'-yl)-2-methylbutan-1-onemolecular complex","","- C22 H26 N2 O2 -","- C22 H26 N2 O2 -","- C88 H104 N8 O8 -","4","1","","Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D.","O(−)⋯C interactions and bond formation in 1-naphtholate anions with peri-located electrophilic carbon centres","CrystEngComm","2019","21","6","1009","","10.1039/C8CE01872C","","x-ray","0.71073","MoKα","","0.1105","0.0738","","","0.1639","0.1822","","","","","","1.071","","","","has coordinates","223595","2020-10-21","18:00:00",""
"7232097","7.3963","0.0003","14.2452","0.0004","13.5274","0.0005","90","","105.187","0.004","90","","1375.49","0.09","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","5-((8'-hydroxynaphthalen-1'-yl)methylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione","","- C17 H14 O5 -","- C17 H14 O5 -","- C68 H56 O20 -","4","1","","Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D.","O(−)⋯C interactions and bond formation in 1-naphtholate anions with peri-located electrophilic carbon centres","CrystEngComm","2019","21","6","1009","","10.1039/C8CE01872C","","x-ray","0.71073","MoKα","","0.0752","0.0573","","","0.1123","0.1198","","","","","","1.106","","","","has coordinates","223595","2020-10-21","18:00:00",""
"7232098","6.9441","0.0004","8.8146","0.0004","14.8418","0.0008","77.773","0.004","78.744","0.004","76.371","0.004","852.7","0.08","150.01","0.1","150.01","0.1","","","","","","","","3","P -1","-P 1","2","","7a-hydroxy-9-phenyl-7a,8,9,10-tetrahydro-11H-benzo[f]naphtho[1,8-bc]oxepin-11-one","","- C23 H18 O3 -","- C23 H18 O3 -","- C46 H36 O6 -","2","1","","Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D.","O(−)⋯C interactions and bond formation in 1-naphtholate anions with peri-located electrophilic carbon centres","CrystEngComm","2019","21","6","1009","","10.1039/C8CE01872C","","x-ray","0.71073","MoKα","","0.0936","0.069","","","0.1395","0.1519","","","","","","1.101","","","","has coordinates","223595","2020-10-21","18:00:00",""
"7232099","13.4588","0.0005","9.4421","0.0003","20.9855","0.0009","90","","95.122","0.004","90","","2656.17","0.17","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-hydroxy-2-(2'H-naphtho[1,8-bc]furan-2'yl)cyclohex-2-en-1-one","","- C17 H14 O3 -","- C17 H14 O3 -","- C136 H112 O24 -","8","2","","Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D.","O(−)⋯C interactions and bond formation in 1-naphtholate anions with peri-located electrophilic carbon centres","CrystEngComm","2019","21","6","1009","","10.1039/C8CE01872C","","x-ray","0.71073","MoKα","","0.1099","0.0763","","","0.1853","0.2046","","","","","","1.198","","","","has coordinates","223595","2020-10-21","18:00:00",""
"7232100","37.3853","0.0007","37.3853","0.0007","11.2109","0.0002","90","","90","","120","","13569.8","0.4","120","2","120.01","0.1","","","","","","","","4","R -3 :H","-R 3","148","2","","","- C34 H34 Br2 O4 -","- C34 H34 Br2 O4 -","- C612 H612 Br36 O72 -","18","1","","Kennedy, Stuart R.; Main, Mawgan U.; Pulham, Colin R.; Ling, Irene; Dalgarno, Scott J.","A self-assembled nanotube supported by halogen bonding interactions","CrystEngComm","2019","21","5","786","","10.1039/C8CE01824C","","","0.71073","MoKα","","0.0876","0.0523","","","0.1054","0.1164","","","","","","1.088","","","","has coordinates","223550","2020-10-21","18:00:00",""
"7232101","10.007","0.0005","13.2653","0.0007","15.0577","0.0008","80.234","0.002","71.193","0.002","70.137","0.002","1775.5","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H43 Cl2 N4 O6 -","- C39 H43 Cl2 N4 O6 -","- C78 H86 Cl4 N8 O12 -","2","1","","Hyodo, Tadashi; Kawahata, Masatoshi; Hikami, Yuya; Komatsu, Ai; Tominaga, Masahide; Yamaguchi, Kentaro","Cycloalkanes and cycloalkenes in dispersive force oriented inclusion crystals by a functionalized acyclic host molecule","CrystEngComm","2019","21","10","1548","","10.1039/C8CE01990H","","","1.54178","CuKα","","0.0782","0.0647","","","0.1758","0.1855","","","","","","1.035","","","","has coordinates","223481","2020-10-21","18:00:00",""
"7232102","9.9312","0.0005","13.0381","0.0007","14.9669","0.0008","78.504","0.002","71.545","0.002","71.592","0.002","1733.59","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C37.5 H40 Cl2 N4 O6 -","- C37.5 H40 Cl2 N4 O6 -","- C75 H80 Cl4 N8 O12 -","2","1","","Hyodo, Tadashi; Kawahata, Masatoshi; Hikami, Yuya; Komatsu, Ai; Tominaga, Masahide; Yamaguchi, Kentaro","Cycloalkanes and cycloalkenes in dispersive force oriented inclusion crystals by a functionalized acyclic host molecule","CrystEngComm","2019","21","10","1548","","10.1039/C8CE01990H","","","1.54178","CuKα","","0.0765","0.0563","","","0.1497","0.1629","","","","","","1.044","","","","has coordinates,has disorder","223481","2020-10-21","18:00:00",""
"7232103","19.602","0.0017","10.4596","0.0009","15.8952","0.0014","90","","107.358","0.002","90","","3110.6","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H34 Cl2 N4 O6 -","- C34 H34 Cl2 N4 O6 -","- C136 H136 Cl8 N16 O24 -","4","0.5","","Hyodo, Tadashi; Kawahata, Masatoshi; Hikami, Yuya; Komatsu, Ai; Tominaga, Masahide; Yamaguchi, Kentaro","Cycloalkanes and cycloalkenes in dispersive force oriented inclusion crystals by a functionalized acyclic host molecule","CrystEngComm","2019","21","10","1548","","10.1039/C8CE01990H","","","1.54178","CuKα","","0.054","0.0527","","","0.1516","0.1531","","","","","","1.042","","","","has coordinates","223481","2020-10-21","18:00:00",""
"7232104","9.9249","0.0009","13.0873","0.0012","15.1023","0.0014","78.486","0.003","71.671","0.003","71.466","0.003","1754.7","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H42 Cl2 N4 O6 -","- C38 H42 Cl2 N4 O6 -","- C76 H84 Cl4 N8 O12 -","2","1","","Hyodo, Tadashi; Kawahata, Masatoshi; Hikami, Yuya; Komatsu, Ai; Tominaga, Masahide; Yamaguchi, Kentaro","Cycloalkanes and cycloalkenes in dispersive force oriented inclusion crystals by a functionalized acyclic host molecule","CrystEngComm","2019","21","10","1548","","10.1039/C8CE01990H","","","1.54178","CuKα","","0.0745","0.0625","","","0.1745","0.1851","","","","","","1.064","","","","has coordinates,has disorder","223481","2020-10-21","18:00:00",""
"7232105","9.9494","0.0007","13.0577","0.001","15.047","0.0011","78.907","0.002","71.437","0.002","70.82","0.002","1741.8","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H41 Cl2 N4 O6 -","- C38 H41 Cl2 N4 O6 -","- C76 H82 Cl4 N8 O12 -","2","1","","Hyodo, Tadashi; Kawahata, Masatoshi; Hikami, Yuya; Komatsu, Ai; Tominaga, Masahide; Yamaguchi, Kentaro","Cycloalkanes and cycloalkenes in dispersive force oriented inclusion crystals by a functionalized acyclic host molecule","CrystEngComm","2019","21","10","1548","","10.1039/C8CE01990H","","","1.54178","CuKα","","0.0548","0.0479","","","0.1294","0.1344","","","","","","1.052","","","","has coordinates,has disorder","223481","2020-10-21","18:00:00",""
"7232106","9.9163","0.0005","13.1401","0.0007","14.9925","0.0008","78.987","0.002","71.536","0.002","71.106","0.002","1744.6","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H42 Cl2 N4 O6 -","- C38 H42 Cl2 N4 O6 -","- C76 H84 Cl4 N8 O12 -","2","1","","Hyodo, Tadashi; Kawahata, Masatoshi; Hikami, Yuya; Komatsu, Ai; Tominaga, Masahide; Yamaguchi, Kentaro","Cycloalkanes and cycloalkenes in dispersive force oriented inclusion crystals by a functionalized acyclic host molecule","CrystEngComm","2019","21","10","1548","","10.1039/C8CE01990H","","","1.54178","CuKα","","0.0644","0.0475","","","0.1214","0.1308","","","","","","1.041","","","","has coordinates,has disorder","223481","2020-10-21","18:00:00",""
"7232107","9.9369","0.0005","13.0256","0.0007","14.9773","0.0008","78.67","0.003","71.719","0.003","71.595","0.003","1736.34","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C37.5 H41 Cl2 N4 O6 -","- C37.5 H41 Cl2 N4 O6 -","- C75 H82 Cl4 N8 O12 -","2","1","","Hyodo, Tadashi; Kawahata, Masatoshi; Hikami, Yuya; Komatsu, Ai; Tominaga, Masahide; Yamaguchi, Kentaro","Cycloalkanes and cycloalkenes in dispersive force oriented inclusion crystals by a functionalized acyclic host molecule","CrystEngComm","2019","21","10","1548","","10.1039/C8CE01990H","","","1.54178","CuKα","","0.1637","0.089","","","0.2211","0.2603","","","","","","1.046","","","","has coordinates,has disorder","223481","2020-10-21","18:00:00",""
"7232108","3.9611","0.0002","13.3377","0.0005","14.48","0.0005","90","","97.848","0.002","90","","757.84","0.05","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2,6-dichlorobenzonitrile oxide","2,6-dichlorobenzonitrile-N-oxide","","- C7 H3 Cl2 N O -","- C7 H3 Cl2 N O -","- C28 H12 Cl8 N4 O4 -","4","1","","Dhami, Jaya K.; Idzorek, Kiersten M.; Johnson, Ryan B.; Van Auken, Kaitlyn S.; Ojala, William H.","Intramolecular geometry and intermolecular interactions of the CNO group of crystalline benzonitrile oxides: a comparison with phenyl cyanates, phenyl isocyanates, and phenyl azides","CrystEngComm","2019","21","5","908","","10.1039/C8CE02008F","","","1.54178","CuKα","","0.0396","0.0368","","","0.0944","0.0969","","","","","","1.068","","","","has coordinates","223545","2020-10-21","18:00:00",""
"7232109","25.671","0.015","3.903","0.002","14.123","0.008","90","","106.068","0.006","90","","1359.8","1.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","3-bromobenzonitrile oxide","3-bromobenzonitrile-N-oxide","","- C7 H4 Br N O -","- C7 H4 Br N O -","- C56 H32 Br8 N8 O8 -","8","1","","Dhami, Jaya K.; Idzorek, Kiersten M.; Johnson, Ryan B.; Van Auken, Kaitlyn S.; Ojala, William H.","Intramolecular geometry and intermolecular interactions of the CNO group of crystalline benzonitrile oxides: a comparison with phenyl cyanates, phenyl isocyanates, and phenyl azides","CrystEngComm","2019","21","5","908","","10.1039/C8CE02008F","","","0.71073","MoKα","","0.0693","0.0434","","","0.0989","0.1102","","","","","","1.04","","","","has coordinates","223545","2020-10-21","18:00:00",""
"7232110","3.7857","0.001","12.616","0.003","15.632","0.004","90","","93.847","0.004","90","","744.9","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2,3-dichlorobenzonitrile oxide","2,3-dichlorobenzonitrile-N-oxide","","- C7 H3 Cl2 N O -","- C7 H3 Cl2 N O -","- C28 H12 Cl8 N4 O4 -","4","1","","Dhami, Jaya K.; Idzorek, Kiersten M.; Johnson, Ryan B.; Van Auken, Kaitlyn S.; Ojala, William H.","Intramolecular geometry and intermolecular interactions of the CNO group of crystalline benzonitrile oxides: a comparison with phenyl cyanates, phenyl isocyanates, and phenyl azides","CrystEngComm","2019","21","5","908","","10.1039/C8CE02008F","","","0.71073","MoKα","","0.0277","0.0254","","","0.0595","0.0605","","","","","","1.06","","","","has coordinates","223545","2020-10-21","18:00:00",""
"7232111","4.5995","0.0004","7.7964","0.0007","9.3711","0.0008","90","","101.201","0.001","90","","329.64","0.05","173","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","4-chlorobenzonitrile oxide","4-chlorobenzonitrile-N-oxide","","- C3.5 H2 Cl0.5 N0.5 O0.5 -","- C3.5 H2 Cl0.5 N0.5 O0.5 -","- C14 H8 Cl2 N2 O2 -","4","1","","Dhami, Jaya K.; Idzorek, Kiersten M.; Johnson, Ryan B.; Van Auken, Kaitlyn S.; Ojala, William H.","Intramolecular geometry and intermolecular interactions of the CNO group of crystalline benzonitrile oxides: a comparison with phenyl cyanates, phenyl isocyanates, and phenyl azides","CrystEngComm","2019","21","5","908","","10.1039/C8CE02008F","","","0.71073","MoKα","","0.0269","0.0244","","","0.0675","0.0698","","","","","","1.092","","","","has coordinates","223545","2020-10-21","18:00:00",""
"7232112","6.9929","0.0002","9.6745","0.0003","10.9094","0.0003","97.057","0.002","97.633","0.002","96.111","0.002","720.29","0.04","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H15 N2 -","- C18 H15 N2 -","- C36 H30 N4 -","2","1","","Mandal, Arkalekha; Swain, Pravasini; Nath, Bhaskar; Sau, Sudip; Mal, Prasenjit","Unipolar to ambipolar semiconductivity switching in charge transfer cocrystals of 2,7-di-tert-butylpyrene","CrystEngComm","2019","21","6","981","","10.1039/C8CE01806E","","","1.54184","CuKα","","0.0629","0.0585","","","0.1601","0.1667","","","","","","1.004","","","","has coordinates","223594","2020-10-21","18:00:00",""
"7232113","6.9689","0.0002","10.7206","0.0003","18.531","0.0004","97.772","0.002","100.438","0.002","107.389","0.003","1272.6","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H30 N2 O4 -","- C30 H30 N2 O4 -","- C60 H60 N4 O8 -","2","1","","Mandal, Arkalekha; Swain, Pravasini; Nath, Bhaskar; Sau, Sudip; Mal, Prasenjit","Unipolar to ambipolar semiconductivity switching in charge transfer cocrystals of 2,7-di-tert-butylpyrene","CrystEngComm","2019","21","6","981","","10.1039/C8CE01806E","","","1.54184","CuKα","","0.0856","0.0726","","","0.1471","0.1524","","","","","","0.996","","","","has coordinates","223594","2020-10-21","18:00:00",""
"7232114","15.3925","0.0006","6.8374","0.0003","12.8802","0.0005","90","","93.087","0.003","90","","1353.61","0.1","296","2","296","2","","","","","","","","3","I 1 2/m 1","-I 2y","12","","","","- C34 H28 N4 -","- C34 H28 N4 -","- C68 H56 N8 -","2","0.25","","Mandal, Arkalekha; Swain, Pravasini; Nath, Bhaskar; Sau, Sudip; Mal, Prasenjit","Unipolar to ambipolar semiconductivity switching in charge transfer cocrystals of 2,7-di-tert-butylpyrene","CrystEngComm","2019","21","6","981","","10.1039/C8CE01806E","","x-ray","1.54184","CuKα","","0.0572","0.046","","","0.149","0.1623","","","","","","1.126","","","","has coordinates","223594","2020-10-21","18:00:00",""
"7232115","7.9686","0.0006","8.6786","0.0006","11.2515","0.0008","95.505","0.006","106.522","0.006","113.65","0.007","663.5","0.1","277.3","0.1","277.3","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C9 H13 La O9.5 -","- C9 H13 La O9.5 -","- C18 H26 La2 O19 -","2","1","","Skoulika, Stavroula; Siskos, Michael G.; Michaelides, Adonis","2D to 3D solvent mediated transformation of a photoreactive lanthanum MOF: a case of three parallel photo-cycloaddition reactions","CrystEngComm","2019","21","7","1137","","10.1039/C8CE01983E","","","0.71073","MoKα","","0.042","0.0329","","","0.0475","0.0506","","","","","","1.01","","","","has coordinates","223657","2020-10-21","18:00:00",""
"7232116","9.5953","0.0005","10.9758","0.0003","15.4396","0.0006","101.8","0.003","102.572","0.004","93.998","0.003","1542.37","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","4-Iodobenzoate-tin-tetraiodoporphrin","","","- C64 H46 I6 N4 O4 Sn -","- C64 H46 I6 N4 O4 Sn -","- C64 H46 I6 N4 O4 Sn -","1","0.5","","Rani, Jyoti; Kaur, Gurkiran; Sushila, Sushila; Diksha, Diksha; Yadav, Rashmi; Kataria, Ramesh; Venugopalan, Paloth; Natarajan, Palani; Chaudhary, Arvind; Patra, Ranjan","Wheel-and-axle topology-driven halogen bonds: formation of ladder, 1D and 2D networks in hexa-coordinated Sn(iv) porphyrins","CrystEngComm","2019","21","7","1150","","10.1039/C8CE01877D","","","0.71073","MoKα","","0.0817","0.061","","","0.1766","0.1995","","","","","","1.027","","","","has coordinates","223651","2020-10-21","18:00:00",""
"7232117","11.6409","0.0005","12.3154","0.0006","13.1057","0.0004","98.307","0.003","104.865","0.003","117.3","0.004","1536.72","0.14","293","2","293","2","","","","","","","","7","P -1","-P 1","2","4-Nitrobenzoate-tin-tetraiodoporphrin","","","- C60 H34 Cl6 I4 N6 O8 Sn -","- C60 H34 Cl6 I4 N6 O8 Sn -","- C60 H34 Cl6 I4 N6 O8 Sn -","1","0.5","","Rani, Jyoti; Kaur, Gurkiran; Sushila, Sushila; Diksha, Diksha; Yadav, Rashmi; Kataria, Ramesh; Venugopalan, Paloth; Natarajan, Palani; Chaudhary, Arvind; Patra, Ranjan","Wheel-and-axle topology-driven halogen bonds: formation of ladder, 1D and 2D networks in hexa-coordinated Sn(iv) porphyrins","CrystEngComm","2019","21","7","1150","","10.1039/C8CE01877D","","","0.71073","MoKα","","0.0861","0.06","","","0.1786","0.2051","","","","","","1.087","","","","has coordinates,has disorder","223651","2020-10-21","18:00:00",""
"7232118","11.2861","0.0004","11.7958","0.0003","13.3288","0.0003","103.991","0.002","95.327","0.002","111","0.002","1575.58","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","3-Nitrobenzoate-tin-tetraiodoporphrin","","","- C66 H52 I4 N6 O10 Sn -","- C66 H52 I4 N6 O10 Sn -","- C66 H52 I4 N6 O10 Sn -","1","0.5","","Rani, Jyoti; Kaur, Gurkiran; Sushila, Sushila; Diksha, Diksha; Yadav, Rashmi; Kataria, Ramesh; Venugopalan, Paloth; Natarajan, Palani; Chaudhary, Arvind; Patra, Ranjan","Wheel-and-axle topology-driven halogen bonds: formation of ladder, 1D and 2D networks in hexa-coordinated Sn(iv) porphyrins","CrystEngComm","2019","21","7","1150","","10.1039/C8CE01877D","","","0.71073","MoKα","","0.0461","0.0363","","","0.0797","0.0839","","","","","","1.093","","","","has coordinates","223651","2020-10-21","18:00:00",""
"7232119","8.0433","0.0004","12.3567","0.0006","15.1084","0.0009","69.576","0.005","85.741","0.004","87.539","0.004","1403.09","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","3-Iodobenzoate-tin-tetraiodoporphrin","","","- C58 H32 I6 N4 O4 Sn -","- C58 H32 I6 N4 O4 Sn -","- C58 H32 I6 N4 O4 Sn -","1","0.5","","Rani, Jyoti; Kaur, Gurkiran; Sushila, Sushila; Diksha, Diksha; Yadav, Rashmi; Kataria, Ramesh; Venugopalan, Paloth; Natarajan, Palani; Chaudhary, Arvind; Patra, Ranjan","Wheel-and-axle topology-driven halogen bonds: formation of ladder, 1D and 2D networks in hexa-coordinated Sn(iv) porphyrins","CrystEngComm","2019","21","7","1150","","10.1039/C8CE01877D","","","0.71073","MoKα","","0.0584","0.0465","","","0.1269","0.1358","","","","","","1.084","","","","has coordinates","223651","2020-10-21","18:00:00",""
"7232120","8.8373","0.0005","10.7391","0.0006","14.9694","0.0009","98.367","0.005","101.545","0.005","96.724","0.004","1361.35","0.14","293","2","293","2","","","","","","","","7","P -1","-P 1","2","3,5-Dichloromobenzoate-tin-tetraiodoporphrin","","","- C58 H30 Cl4 I4 N4 O4 Sn -","- C58 H30 Cl4 I4 N4 O4 Sn -","- C58 H30 Cl4 I4 N4 O4 Sn -","1","0.5","","Rani, Jyoti; Kaur, Gurkiran; Sushila, Sushila; Diksha, Diksha; Yadav, Rashmi; Kataria, Ramesh; Venugopalan, Paloth; Natarajan, Palani; Chaudhary, Arvind; Patra, Ranjan","Wheel-and-axle topology-driven halogen bonds: formation of ladder, 1D and 2D networks in hexa-coordinated Sn(iv) porphyrins","CrystEngComm","2019","21","7","1150","","10.1039/C8CE01877D","","","0.71073","MoKα","","0.0864","0.0588","","","0.1507","0.1655","","","","","","1.021","","","","has coordinates","223651","2020-10-21","18:00:00",""
"7232121","8.8374","0.0007","10.7088","0.0006","15.0404","0.0011","98.727","0.005","101.652","0.006","96.887","0.006","1361.15","0.17","293","2","293","2","","","","","","","","7","P -1","-P 1","2","3,5-Dibromobenzoate-tin-tetraiodoporphrin","","","- C58 H30 Br4 I4 N4 O4 Sn -","- C58 H30 Br4 I4 N4 O4 Sn -","- C58 H30 Br4 I4 N4 O4 Sn -","1","0.5","","Rani, Jyoti; Kaur, Gurkiran; Sushila, Sushila; Diksha, Diksha; Yadav, Rashmi; Kataria, Ramesh; Venugopalan, Paloth; Natarajan, Palani; Chaudhary, Arvind; Patra, Ranjan","Wheel-and-axle topology-driven halogen bonds: formation of ladder, 1D and 2D networks in hexa-coordinated Sn(iv) porphyrins","CrystEngComm","2019","21","7","1150","","10.1039/C8CE01877D","","","0.71073","MoKα","","0.1335","0.0699","","","0.1521","0.1709","","","","","","1.037","","","","has coordinates","223651","2020-10-21","18:00:00",""
"7232122","9.64","0.0005","10.8143","0.0006","15.1088","0.0007","100.646","0.004","102.72","0.004","93.71","0.004","1500.84","0.14","293","2","293","2","","","","","","","","7","P -1","-P 1","2","4-Bromobenzoate-tin-tetraiodoporphrin","","","- C64 H46 Br2 I4 N4 O4 Sn -","- C64 H46 Br2 I4 N4 O4 Sn -","- C64 H46 Br2 I4 N4 O4 Sn -","1","0.5","","Rani, Jyoti; Kaur, Gurkiran; Sushila, Sushila; Diksha, Diksha; Yadav, Rashmi; Kataria, Ramesh; Venugopalan, Paloth; Natarajan, Palani; Chaudhary, Arvind; Patra, Ranjan","Wheel-and-axle topology-driven halogen bonds: formation of ladder, 1D and 2D networks in hexa-coordinated Sn(iv) porphyrins","CrystEngComm","2019","21","7","1150","","10.1039/C8CE01877D","","","0.71073","MoKα","","0.091","0.0599","","","0.1662","0.1831","","","","","","1.076","","","","has coordinates","223651","2020-10-21","18:00:00",""
"7232123","14.2058","0.0003","17.3651","0.0005","11.8806","0.0003","90","","97.847","0.002","90","","2903.32","0.13","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","3,5-Difluoromobenzoate-tin-tetraiodoporphrin","","","- C60 H36 F4 I4 N4 O5 S Sn -","- C60 H36 F4 I4 N4 O5 S Sn -","- C120 H72 F8 I8 N8 O10 S2 Sn2 -","2","0.5","","Rani, Jyoti; Kaur, Gurkiran; Sushila, Sushila; Diksha, Diksha; Yadav, Rashmi; Kataria, Ramesh; Venugopalan, Paloth; Natarajan, Palani; Chaudhary, Arvind; Patra, Ranjan","Wheel-and-axle topology-driven halogen bonds: formation of ladder, 1D and 2D networks in hexa-coordinated Sn(iv) porphyrins","CrystEngComm","2019","21","7","1150","","10.1039/C8CE01877D","","","0.71073","MoKα","","0.0699","0.0542","","","0.1647","0.1756","","","","","","1.031","","","","has coordinates,has disorder","223651","2020-10-21","18:00:00",""
"7232124","17.008","0.002","10.0083","0.001","19.248","0.002","90","","108.513","0.01","90","","3106.9","0.6","299","2","299","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","Cocrystal between 1,2-bis(iodoethynyl)benzene and 4-stilbazole","","","- C18 H13 I N -","- C18 H13 I N -","- C144 H104 I8 N8 -","8","1","","Bosch, Eric; Kruse, Samantha J.; Groeneman, Ryan H.","Infinite and discrete halogen bonded assemblies based upon 1,2-bis(iodoethynyl)benzene","CrystEngComm","2019","21","6","990","","10.1039/C8CE01984C","","","0.71073","MoKα","","0.0435","0.0277","","","0.0619","0.0707","","","","","","1.013","","","","has coordinates","223598","2020-10-21","18:00:00",""
"7232125","7.5641","0.0012","8.3619","0.0012","17.5","0.003","94.126","0.008","96.466","0.008","106.153","0.007","1050.2","0.3","295","2","295","2","","","","","","","","4","P -1","-P 1","2","Cocrystal between 1,2-bis(iodoethynyl)benzene and trans-1,2-bis(4-pyridyl)ethyne","","","- C22 H12 I2 N2 -","- C22 H12 I2 N2 -","- C44 H24 I4 N4 -","2","1","","Bosch, Eric; Kruse, Samantha J.; Groeneman, Ryan H.","Infinite and discrete halogen bonded assemblies based upon 1,2-bis(iodoethynyl)benzene","CrystEngComm","2019","21","6","990","","10.1039/C8CE01984C","","","0.71073","MoKα","","0.0557","0.0339","","","0.0847","0.0958","","","","","","1.016","","","","has coordinates","223598","2020-10-21","18:00:00",""
"7232126","12.8031","0.0015","9.5117","0.0013","17.856","0.003","90","","107.973","0.008","90","","2068.4","0.5","298","2","299","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Cocrystal between 1,2-bis(iodoethynyl)benzene and trans-1,2-bis(4-pyridyl)ethene","","","- C22 H14 I2 N2 -","- C22 H14 I2 N2 -","- C88 H56 I8 N8 -","4","0.5","","Bosch, Eric; Kruse, Samantha J.; Groeneman, Ryan H.","Infinite and discrete halogen bonded assemblies based upon 1,2-bis(iodoethynyl)benzene","CrystEngComm","2019","21","6","990","","10.1039/C8CE01984C","","","0.71073","MoKα","","0.2029","0.0862","","","0.188","0.2472","","","","","","0.971","","","","has coordinates","223598","2020-10-21","18:00:00",""
"7232127","12.9604","0.0018","6.4988","0.0009","10.5705","0.0015","90","","90","","90","","890.3","0.2","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- O5 P Rb0.94 Ta0.06 Ti0.94 -","- O5 P Rb0.9375 Ta0.0625 Ti0.9375 -","- O40 P8 Rb7.5 Ta0.5 Ti7.5 -","8","2","","Li, Ziqing; Zhu, Pengfei; Chen, Yang; Ji, Nianjing; Liu, Jian; Duan, Xiulan; Jiang, Huaidong","Single crystal structure and optical properties of nonlinear optical crystal Rb0.94Ti0.94Ta0.06OPO4","CrystEngComm","2019","21","10","1570","","10.1039/C8CE01724G","","","0.71073","MoKα","","0.0638","0.0572","","","0.1535","0.1588","","","","","","1.083","","","","has coordinates,has disorder","223483","2020-10-21","18:00:00",""
"7232128","12.9584","0.0018","6.4968","0.0009","10.5615","0.0015","90","","90","","90","","889.2","0.2","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- O5 P Rb0.9 Ta0.1 Ti0.9 -","- O5 P Rb0.8995 Ta0.1005 Ti0.8995 -","- O40 P8 Rb7.196 Ta0.804 Ti7.196 -","8","2","","Li, Ziqing; Zhu, Pengfei; Chen, Yang; Ji, Nianjing; Liu, Jian; Duan, Xiulan; Jiang, Huaidong","Single crystal structure and optical properties of nonlinear optical crystal Rb0.94Ti0.94Ta0.06OPO4","CrystEngComm","2019","21","10","1570","","10.1039/C8CE01724G","","","1.54178","CuKα","","0.1183","0.118","","","0.3064","0.3065","","","","","","1.154","","","","has coordinates,has disorder","223483","2020-10-21","18:00:00",""
"7232129","7.988","0.0006","5.7019","0.0005","11.3808","0.0008","90","","97.745","0.007","90","","513.63","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Cl4 Co H14 N4 O2 -","- Cl4 Co H14 N4 O2 -","- Cl8 Co2 H28 N8 O4 -","2","0.5","","Chalmers, James E.; Srivastava, Anant Kumar; Dixey, Richard J. C.; Sivakumaran, Krrishna; Saines, Paul J.","Low dimensional and frustrated antiferromagnetic interactions in transition metal chloride complexes with simple amine ligands","CrystEngComm","2019","21","5","894","","10.1039/C8CE01901K","","x-ray","0.71073","MoKα","","0.0429","0.0311","","","0.0548","0.0602","","","","","","1.05","","","","has coordinates","223546","2020-10-21","18:00:00",""
"7232130","7.5839","0.0003","9.1752","0.0004","15.0656","0.0006","89.821","0.004","84.447","0.003","75.697","0.004","1010.82","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- Cl16 H54 Mn3 N20 O2 -","- Cl16 H54 Mn3 N20 O2 -","- Cl16 H54 Mn3 N20 O2 -","1","0.5","","Chalmers, James E.; Srivastava, Anant Kumar; Dixey, Richard J. C.; Sivakumaran, Krrishna; Saines, Paul J.","Low dimensional and frustrated antiferromagnetic interactions in transition metal chloride complexes with simple amine ligands","CrystEngComm","2019","21","5","894","","10.1039/C8CE01901K","","x-ray","1.54184","CuKα","","0.0341","0.0316","","","0.0795","0.0818","","","","","","1.05","","","","has coordinates","223546","2020-10-21","18:00:00",""
"7232131","8.9779","0.0004","10.9705","0.0004","11.7726","0.0005","90","","94.423","0.004","90","","1156.05","0.08","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Cl5 H15 Mn N6 -","- Cl5 H15 Mn N6 -","- Cl20 H60 Mn4 N24 -","4","1","","Chalmers, James E.; Srivastava, Anant Kumar; Dixey, Richard J. C.; Sivakumaran, Krrishna; Saines, Paul J.","Low dimensional and frustrated antiferromagnetic interactions in transition metal chloride complexes with simple amine ligands","CrystEngComm","2019","21","5","894","","10.1039/C8CE01901K","","x-ray","0.71073","MoKα","","0.0403","0.0323","","","0.0757","0.0801","","","","","","1.044","","","","has coordinates","223546","2020-10-21","18:00:00",""
"7232132","5.5411","0.0001","13.9707","0.0003","9.963","0.0003","90","","92.648","0.002","90","","770.44","0.03","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Cl3 H9 Mn N2 O2 -","- Cl3 H9 Mn N2 O2 -","- Cl12 H36 Mn4 N8 O8 -","4","1","","Chalmers, James E.; Srivastava, Anant Kumar; Dixey, Richard J. C.; Sivakumaran, Krrishna; Saines, Paul J.","Low dimensional and frustrated antiferromagnetic interactions in transition metal chloride complexes with simple amine ligands","CrystEngComm","2019","21","5","894","","10.1039/C8CE01901K","","x-ray","1.54184","CuKα","","0.0297","0.027","","","0.066","0.0688","","","","","","1.065","","","","has coordinates","223546","2020-10-21","18:00:00",""
"7232133","3.7868","0.0006","5.6827","0.0009","8.7079","0.0011","99.853","0.012","98.563","0.012","91.568","0.013","182.3","0.05","150","0.4","150","0.4","","","","","","","","6","P -1","-P 1","2","","","","- C2 H10 Cl2 Cu N2 O2 -","- C2 H10 Cl2 Cu N2 O2 -","- C2 H10 Cl2 Cu N2 O2 -","1","0.5","","Chalmers, James E.; Srivastava, Anant Kumar; Dixey, Richard J. C.; Sivakumaran, Krrishna; Saines, Paul J.","Low dimensional and frustrated antiferromagnetic interactions in transition metal chloride complexes with simple amine ligands","CrystEngComm","2019","21","5","894","","10.1039/C8CE01901K","","x-ray","1.54184","CuKα","","0.0331","0.0314","","","0.0806","0.0844","","","","","","1.096","","","","has coordinates","223546","2020-10-21","18:00:00",""
"7232153","17.5338","0.0008","10.4983","0.0005","28.7697","0.0011","90","","90","","90","","5295.8","0.4","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C13.2 H9.8 I2 N4.6 -","- C8 H2 I2 N2 -","- C128 H32 I32 N32 -","16","4","","Ng, Chun-Fai; Chow, Hak-Fun; Mak, Thomas C. W.","Organic molecular tessellations and intertwined double helices assembled by halogen bonding","CrystEngComm","2019","21","7","1130","","10.1039/C8CE02133C","","","0.71073","MoKα","","0.0552","0.0424","","","0.1042","0.1122","","","","","","1.081","","","","has coordinates","223654","2020-10-21","18:00:00",""
"7232154","4.3229","0.0014","13.047","0.004","29.586","0.009","90.19","0.008","91.77","0.008","95.024","0.008","1661.4","0.9","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C9.2 H3.8 I2 N2.6 -","- C8 H2 I2 N2 -","- C48 H12 I12 N12 -","6","3","","Ng, Chun-Fai; Chow, Hak-Fun; Mak, Thomas C. W.","Organic molecular tessellations and intertwined double helices assembled by halogen bonding","CrystEngComm","2019","21","7","1130","","10.1039/C8CE02133C","","","0.71073","MoKα","","0.1134","0.0976","","","0.1899","0.1958","","","","","","1.207","","","","has coordinates","223654","2020-10-21","18:00:00",""
"7232155","4.2425","0.0006","23.537","0.004","24.567","0.004","111.725","0.005","94.131","0.005","93.861","0.005","2261.3","0.6","299","2","299","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H5 I2 N3 -","- C8 H2 I2 N2 -","- C48 H12 I12 N12 -","6","3","","Ng, Chun-Fai; Chow, Hak-Fun; Mak, Thomas C. W.","Organic molecular tessellations and intertwined double helices assembled by halogen bonding","CrystEngComm","2019","21","7","1130","","10.1039/C8CE02133C","","","0.71073","MoKα","","0.1182","0.1002","","","0.2535","0.269","","","","","","1.045","","","","has coordinates","223654","2020-10-21","18:00:00",""
"7232156","13.9441","0.0006","35.2209","0.0015","8.2173","0.0003","90","","90.331","0.001","90","","4035.6","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H0 I2 N2 -","- C8 H2 I2 N2 -","- C128 H32 I32 N32 -","16","4","","Ng, Chun-Fai; Chow, Hak-Fun; Mak, Thomas C. W.","Organic molecular tessellations and intertwined double helices assembled by halogen bonding","CrystEngComm","2019","21","7","1130","","10.1039/C8CE02133C","","","0.71073","MoKα","","0.0401","0.0354","","","0.083","0.0856","","","","","","1.107","","","","has coordinates,has disorder","223654","2020-10-21","18:00:00",""
"7232157","4.338","0.001","18.327","0.004","18.018","0.004","90","","91.705","0.007","90","","1431.8","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H3 Cl3 I2 N2 -","- C9 H3 Cl3 I2 N2 -","- C36 H12 Cl12 I8 N8 -","4","1","","Ng, Chun-Fai; Chow, Hak-Fun; Mak, Thomas C. W.","Organic molecular tessellations and intertwined double helices assembled by halogen bonding","CrystEngComm","2019","21","7","1130","","10.1039/C8CE02133C","","","0.71073","MoKα","","0.1155","0.1024","","","0.2611","0.2683","","","","","","1.294","","","","has coordinates","223654","2020-10-21","18:00:00",""
"7232169","12.5982","0.0013","13.295","0.003","13.5974","0.0012","114.779","0.015","99.377","0.009","100.412","0.012","1959.7","0.6","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H91 Mo12 N12 Na O66 P8 -","- C24 H91 Mo12 N12 Na O66 P8 -","- C24 H91 Mo12 N12 Na O66 P8 -","1","0.5","","Li, Wei; Zhu, Jian-Nan; Shen, Nan-Nan; Xiong, Wei-Wei; Huang, Xiao-Ying","Assembling [M(P4Mo6)2] (M = Na, Mn, Na/Cu) dimeric clusters via transition metal/sodium ions into 0D to 3D phosphomolybdates","CrystEngComm","2019","21","6","971","","10.1039/C8CE01866A","","","0.71073","MoKα","","0.1233","0.0632","","","0.0968","0.1329","","","","","","1.023","","","","has coordinates,has disorder","223596","2020-10-21","18:00:00",""
"7232170","27.133","0.002","12.3372","0.0011","15.5056","0.0012","90","","123.224","0.007","90","","4342","0.7","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C39 H61.5 Mo12 N6 Na3.5 O66 P8 -","- C26 H33 Mo12 N4 Na3.5 O64 P8 -","- C52 H66 Mo24 N8 Na7 O128 P16 -","2","0.25","","Li, Wei; Zhu, Jian-Nan; Shen, Nan-Nan; Xiong, Wei-Wei; Huang, Xiao-Ying","Assembling [M(P4Mo6)2] (M = Na, Mn, Na/Cu) dimeric clusters via transition metal/sodium ions into 0D to 3D phosphomolybdates","CrystEngComm","2019","21","6","971","","10.1039/C8CE01866A","","","0.71073","MoKα","","0.0709","0.0565","","","0.137","0.1506","","","","","","1.049","","","","has coordinates,has disorder","223596","2020-10-21","18:00:00",""
"7232171","14.6598","0.0004","13.3538","0.0004","22.0021","0.0006","90","","103.869","0.003","90","","4181.6","0.2","293","2","293","2","","","","","","","","8","P 1 n 1","P -2yac","7","","","","- C20 H68 Mn2.5 Mo12 N8 Na2 O71.5 P8 -","- C20 H36 Mn2.5 Mo12 N8 Na2 O71.5 P8 -","- C40 H72 Mn5 Mo24 N16 Na4 O143 P16 -","2","1","","Li, Wei; Zhu, Jian-Nan; Shen, Nan-Nan; Xiong, Wei-Wei; Huang, Xiao-Ying","Assembling [M(P4Mo6)2] (M = Na, Mn, Na/Cu) dimeric clusters via transition metal/sodium ions into 0D to 3D phosphomolybdates","CrystEngComm","2019","21","6","971","","10.1039/C8CE01866A","","","0.71073","MoKα","","0.0564","0.0455","","","0.0912","0.0974","","","","","","1.231","","","","has coordinates,has disorder","223596","2020-10-21","18:00:00",""
"7232172","13.3983","0.0001","13.3983","0.0001","38.3301","0.0008","90","","90","","90","","6880.81","0.16","295","2","295","2","","","","","","","","8","P 43 2 2","P 4cw 2c","95","","","","- C3 H58 Mn2.5 Mo12 N5.5 Na4.5 O72.5 P8 -","- C3 H39 Mn2.5 Mo12 N5.5 Na4.5 O72.5 P8 -","- C12 H156 Mn10 Mo48 N22 Na18 O290 P32 -","4","0.5","","Li, Wei; Zhu, Jian-Nan; Shen, Nan-Nan; Xiong, Wei-Wei; Huang, Xiao-Ying","Assembling [M(P4Mo6)2] (M = Na, Mn, Na/Cu) dimeric clusters via transition metal/sodium ions into 0D to 3D phosphomolybdates","CrystEngComm","2019","21","6","971","","10.1039/C8CE01866A","","","0.71073","MoKα","","0.0304","0.0283","","","0.0741","0.0751","","","","","","1.056","","","","has coordinates,has disorder","223596","2020-10-21","18:00:00",""
"7232173","16.333","0.002","21.724","0.003","21.913","0.003","90","","92.836","0.002","90","","7765.6","1.8","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C14 H80 Mn2 Mo12 N7 Na O68 P8 -","- H14 Mn2 Mo12 Na O63 P8 -","- H56 Mn8 Mo48 Na4 O252 P32 -","4","1","","Li, Wei; Zhu, Jian-Nan; Shen, Nan-Nan; Xiong, Wei-Wei; Huang, Xiao-Ying","Assembling [M(P4Mo6)2] (M = Na, Mn, Na/Cu) dimeric clusters via transition metal/sodium ions into 0D to 3D phosphomolybdates","CrystEngComm","2019","21","6","971","","10.1039/C8CE01866A","","","0.71073","MoKα","","0.0411","0.0298","","","0.0589","0.0623","","","","","","1.02","","","","has coordinates","223596","2020-10-21","18:00:00",""
"7232174","13.262","0.003","13.36","0.003","22.492","0.005","99.302","0.003","90.283","0.003","103.365","0.003","3822.5","1.5","295","2","295","2","","","","","","","","8","P -1","-P 1","2","","","","- C13 H80.5 Cu0.25 Mo12 N6.5 Na4.75 O70 P8 -","- C13 H40 Cu0.25 Mo12 N6.5 Na4.75 O70 P8 -","- C26 H80 Cu0.5 Mo24 N13 Na9.5 O140 P16 -","2","1","","Li, Wei; Zhu, Jian-Nan; Shen, Nan-Nan; Xiong, Wei-Wei; Huang, Xiao-Ying","Assembling [M(P4Mo6)2] (M = Na, Mn, Na/Cu) dimeric clusters via transition metal/sodium ions into 0D to 3D phosphomolybdates","CrystEngComm","2019","21","6","971","","10.1039/C8CE01866A","","","0.71073","MoKα","","0.1819","0.0743","","","0.1256","0.1577","","","","","","1.034","","","","has coordinates,has disorder","223596","2020-10-21","18:00:00",""
"7232185","10.9801","0.0009","10.9801","0.0009","38.5568","0.0012","90","","90","","120","","4025.7","0.5","293","","293","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- Ca6.983 O28 Pb3.517 V7 -","- Ca6.982 O28 Pb3.5185 V7 -","- Ca41.892 O168 Pb21.111 V42 -","6","0.333333","","Deyneko, Dina V.; Petrova, Daria A.; Aksenov, Sergey M.; Stefanovich, Sergey Yu.; Baryshnikova, Oksana V.; Fedotov, Stanislav S.; Burns, Peter C.; Kosmyna, Miron B.; Shekhovtsov, Aleksey N.; Lazoryak, Bogdan I.","Ferroelectricity, ionic conductivity and structural paths for large cation migration in Ca10.5−xPbx(VO4)7 single crystals, x = 1.9, 3.5, 4.9","CrystEngComm","2019","21","8","1309","","10.1039/C8CE01843J","","x-ray","0.71069","MoKα","","0.0393","0.0347","","","0.0456","0.047","","","","1.02","1.02","1.01","","","","has coordinates","223525","2020-10-21","18:00:00",""
"7232186","11.0594","0.0011","11.0594","0.0011","38.8813","0.0014","90","","90","","120","","4118.5","0.6","293","","293","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- Ca5.606 O28 Pb4.894 V7 -","- Ca5.605 O28 Pb4.895 V7 -","- Ca33.63 O168 Pb29.37 V42 -","6","0.333333","","Deyneko, Dina V.; Petrova, Daria A.; Aksenov, Sergey M.; Stefanovich, Sergey Yu.; Baryshnikova, Oksana V.; Fedotov, Stanislav S.; Burns, Peter C.; Kosmyna, Miron B.; Shekhovtsov, Aleksey N.; Lazoryak, Bogdan I.","Ferroelectricity, ionic conductivity and structural paths for large cation migration in Ca10.5−xPbx(VO4)7 single crystals, x = 1.9, 3.5, 4.9","CrystEngComm","2019","21","8","1309","","10.1039/C8CE01843J","","x-ray","0.71075","MoKα","","0.0488","0.0378","","","0.0472","0.0497","","","","1.09","1.09","1.04","","","","has coordinates","223525","2020-10-21","18:00:00",""
"7232187","10.922","0.0002","10.922","0.0002","38.3133","0.0009","90","","90","","120","","3958.08","0.14","293","","293","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- Ca8.649 O28 Pb1.851 V7 -","- Ca8.6491 O28 Pb1.851 V7 -","- Ca51.8946 O168 Pb11.106 V42 -","6","0.333333","","Deyneko, Dina V.; Petrova, Daria A.; Aksenov, Sergey M.; Stefanovich, Sergey Yu.; Baryshnikova, Oksana V.; Fedotov, Stanislav S.; Burns, Peter C.; Kosmyna, Miron B.; Shekhovtsov, Aleksey N.; Lazoryak, Bogdan I.","Ferroelectricity, ionic conductivity and structural paths for large cation migration in Ca10.5−xPbx(VO4)7 single crystals, x = 1.9, 3.5, 4.9","CrystEngComm","2019","21","8","1309","","10.1039/C8CE01843J","","x-ray","0.71075","MoKα","","0.0794","0.0484","","","0.0368","0.0455","","","","1.04","1.04","1.03","","","","has coordinates","223525","2020-10-21","18:00:00",""
"7232188","10.1313","0.0017","10.1313","0.0017","10.1351","0.0017","90","","90","","120","","900.9","0.3","300","","300","","","","","","","","","4","P 6/m m m","-P 6 2","191","","","","- C62 H2 Br2 Cl4 -","- C1.99992 H1.99992 Br2.00016 Cl4.00032 Sp -","- C1.99992 H1.99992 Br2.00016 Cl4.00032 Sp -","1","0.0416667","","Ye, Jin; Barrio, Maria; Céolin, René; Qureshi, Navid; Negrier, Philippe; Rietveld, Ivo B.; Tamarit, Josep Lluís","Ordered and disordered solvates of C60 and CBrCl2H","CrystEngComm","2019","21","7","1180","","10.1039/C8CE02150C","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","7.7596","","","","","","","","has coordinates","223652","2020-10-21","18:00:00",""
"7232189","10.14","0.003","31.233","0.009","10.122","0.003","90","","90.21","0.02","90","","3205.6","1.6","295","1","295","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C61 H Br Cl2 -","- C61 H Br Cl2 -","- C244 H4 Br4 Cl8 -","4","0.5","","Ye, Jin; Barrio, Maria; Céolin, René; Qureshi, Navid; Negrier, Philippe; Rietveld, Ivo B.; Tamarit, Josep Lluís","Ordered and disordered solvates of C60 and CBrCl2H","CrystEngComm","2019","21","7","1180","","10.1039/C8CE02150C","","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","223652","2020-10-21","18:00:00",""
"7232190","15.071","0.003","17.319","0.004","18.468","0.004","90","","96.99","0.03","90","","4784.6","1.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C56 H42 Cu2 N14 -","- C56 H42 Cu2 N14 -","- C224 H168 Cu8 N56 -","4","1","","Xu, Hui; Zhou, Bo-Yu; Yu, Kai; Su, Zhan-Hua; Zhou, Bai-Bin; Su, Zhong-Min","Copper cyanide polymers with controllable dimensions modulated by rigid and flexible bis-(imidazole) ligands: synthesis, crystal structure and fluorescence properties","CrystEngComm","2019","21","8","1242","","10.1039/C8CE01769G","","","0.71073","MoKα","","0.0872","0.0458","","","0.1051","0.1265","","","","","","1.015","","","","has coordinates","223524","2020-10-21","18:00:00",""
"7232191","11.089","0.007","8.79","0.005","15.236","0.009","90","","102.882","0.011","90","","1447.7","1.5","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C7 H5 Cu N3 -","- C7 H5 Cu N3 -","- C56 H40 Cu8 N24 -","8","1","","Xu, Hui; Zhou, Bo-Yu; Yu, Kai; Su, Zhan-Hua; Zhou, Bai-Bin; Su, Zhong-Min","Copper cyanide polymers with controllable dimensions modulated by rigid and flexible bis-(imidazole) ligands: synthesis, crystal structure and fluorescence properties","CrystEngComm","2019","21","8","1242","","10.1039/C8CE01769G","","","0.71073","MoKα","","0.0381","0.0291","","","0.0761","0.0802","","","","","","1.064","","","","has coordinates","223524","2020-10-21","18:00:00",""
"7232192","8.8138","0.0018","15.406","0.003","12.203","0.002","90","","94.92","0.03","90","","1650.9","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 Cu2 N6 -","- C16 H14 Cu2 N6 -","- C64 H56 Cu8 N24 -","4","1","","Xu, Hui; Zhou, Bo-Yu; Yu, Kai; Su, Zhan-Hua; Zhou, Bai-Bin; Su, Zhong-Min","Copper cyanide polymers with controllable dimensions modulated by rigid and flexible bis-(imidazole) ligands: synthesis, crystal structure and fluorescence properties","CrystEngComm","2019","21","8","1242","","10.1039/C8CE01769G","","","0.71073","MoKα","","0.039","0.0295","","","0.0754","0.08","","","","","","1.06","","","","has coordinates","223524","2020-10-21","18:00:00",""
"7232193","8.0872","0.0005","10.2331","0.0006","23.4179","0.0013","88.45","0.001","80.956","0.001","86.568","0.001","1910.17","0.19","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H42 Cu3 N16 -","- C34 H42 Cu3 N16 -","- C68 H84 Cu6 N32 -","2","1","","Xu, Hui; Zhou, Bo-Yu; Yu, Kai; Su, Zhan-Hua; Zhou, Bai-Bin; Su, Zhong-Min","Copper cyanide polymers with controllable dimensions modulated by rigid and flexible bis-(imidazole) ligands: synthesis, crystal structure and fluorescence properties","CrystEngComm","2019","21","8","1242","","10.1039/C8CE01769G","","","0.71073","MoKα","","0.0766","0.0447","","","0.097","0.1096","","","","","","1.012","","","","has coordinates","223524","2020-10-21","18:00:00",""
"7232194","13.0156","0.0006","14.3792","0.0007","12.3581","0.0006","90","","90","","90","","2312.87","0.19","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C16.62 H18 Cu4 N10.38 -","- C16.62 H18 Cu4 N10.38 -","- C66.48 H72 Cu16 N41.52 -","4","1","","Xu, Hui; Zhou, Bo-Yu; Yu, Kai; Su, Zhan-Hua; Zhou, Bai-Bin; Su, Zhong-Min","Copper cyanide polymers with controllable dimensions modulated by rigid and flexible bis-(imidazole) ligands: synthesis, crystal structure and fluorescence properties","CrystEngComm","2019","21","8","1242","","10.1039/C8CE01769G","","","0.71073","MoKα","","0.059","0.0372","","","0.0793","0.0881","","","","","","1.015","","","","has coordinates","223524","2020-10-21","18:00:00",""
"7232195","6.4341","0.0011","4.6151","0.0003","10.5313","0.0007","90","","100.73","0.01","90","","307.25","0.06","296.15","","296.15","","","","","","","","","4","P 1 n 1","P -2yac","7","","p-aminobenzoic acid","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C14 H14 N2 O4 -","2","1","","Ward, Martin R.; Younis, Shatha; Cruz-Cabeza, Aurora J.; Bull, Craig L.; Funnell, Nicholas P.; Oswald, Iain D. H.","Discovery and recovery of delta p-aminobenzoic acid","CrystEngComm","2019","21","13","2058","","10.1039/C8CE01882K","","x-ray","0.71073","MoKα","","0.0419","0.0339","","","0.0742","0.0769","","","","","","1.174","","","","has coordinates","223640","2020-10-21","18:00:00",""
"7232196","6.4003","0.0011","4.5981","0.0004","10.4452","0.0015","90","","100.748","0.014","90","","302","0.07","295.01","","295.01","","","","","","","","","4","P 1 n 1","P -2yac","7","","p-aminobenzoic acid","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C14 H14 N2 O4 -","2","1","","Ward, Martin R.; Younis, Shatha; Cruz-Cabeza, Aurora J.; Bull, Craig L.; Funnell, Nicholas P.; Oswald, Iain D. H.","Discovery and recovery of delta p-aminobenzoic acid","CrystEngComm","2019","21","13","2058","","10.1039/C8CE01882K","","x-ray","0.71073","MoKα","","0.0334","0.0276","","","0.0628","0.0644","","","","","","1.039","","","","has coordinates","223640","2020-10-21","18:00:00",""
"7232197","6.4342","0.001","4.6146","0.0004","10.5397","0.001","90","","100.667","0.009","90","","307.53","0.06","296.15","","296.15","","","","","","","","","4","P 1 n 1","P -2yac","7","","p-aminobenzoic acid","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C14 H14 N2 O4 -","2","1","","Ward, Martin R.; Younis, Shatha; Cruz-Cabeza, Aurora J.; Bull, Craig L.; Funnell, Nicholas P.; Oswald, Iain D. H.","Discovery and recovery of delta p-aminobenzoic acid","CrystEngComm","2019","21","13","2058","","10.1039/C8CE01882K","","x-ray","0.71073","MoKα","","0.0559","0.041","","","0.0915","0.1066","","","","","","1.108","","","","has coordinates","223640","2020-10-21","18:00:00",""
"7232198","6.4551","0.0005","4.674","0.0004","10.547","0.0009","90","","100.754","0.003","90","","312.63","0.04","100","2","99.82","","","","","","","","","4","P 1 n 1","P -2yac","7","","4-aminobenzoic acid","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C14 H14 N2 O4 -","2","1","","Ward, Martin R.; Younis, Shatha; Cruz-Cabeza, Aurora J.; Bull, Craig L.; Funnell, Nicholas P.; Oswald, Iain D. H.","Discovery and recovery of delta p-aminobenzoic acid","CrystEngComm","2019","21","13","2058","","10.1039/C8CE01882K","","","1.54178","CuKα","","0.0297","0.0287","","","0.0727","0.073","","","","","","1.106","","","","has coordinates","223640","2020-10-21","18:00:00",""
"7232199","6.5086","0.0005","4.6661","0.0004","10.7596","0.0008","90","","100.685","0.001","90","","321.1","0.04","295","","295.03","","","","","","","","","4","P 1 n 1","P -2yac","7","","4-aminobenzoic acid","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C14 H14 N2 O4 -","2","1","","Ward, Martin R.; Younis, Shatha; Cruz-Cabeza, Aurora J.; Bull, Craig L.; Funnell, Nicholas P.; Oswald, Iain D. H.","Discovery and recovery of delta p-aminobenzoic acid","CrystEngComm","2019","21","13","2058","","10.1039/C8CE01882K","","x-ray","0.71073","MoKα","","0.0458","0.0408","","","0.1107","0.1154","","","","","","1.046","","","","has coordinates","223640","2020-10-21","18:00:00",""
"7232202","10.672","0.003","10.887","0.003","25.613","0.002","94.871","0.012","97.871","0.011","94.413","0.015","2925.3","1.2","200","2","200","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C42 H44 Ba Cl8 Fe2 O6 S8 -","- C42 H44 Ba Cl8 Fe2 O6 S8 -","- C84 H88 Ba2 Cl16 Fe4 O12 S16 -","2","1","","Castillo, Oscar; Delgado, Esther; Hernández, Diego; Hernández, Elisa; Martín, Avelino; Zamora, Félix","Synthesis and structural characterization of transition metal dithiolene derivatives containing divalent metals as counter-cations","CrystEngComm","2019","21","9","1423","","10.1039/C8CE01916A","","x-ray","0.71073","MoKα","","0.134","0.0763","","","0.1412","0.1668","","","","","","1.115","","","","has coordinates","223659","2020-10-21","18:00:00",""
"7232203","7.5364","0.0007","9.164","0.0009","24.2084","0.0018","90","","91.334","0.004","90","","1671.5","0.3","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","NG18_LT","","","- C14 H14 Fe K O S4 -","- C14 H14 Fe K O S4 -","- C56 H56 Fe4 K4 O4 S16 -","4","1","","Castillo, Oscar; Delgado, Esther; Hernández, Diego; Hernández, Elisa; Martín, Avelino; Zamora, Félix","Synthesis and structural characterization of transition metal dithiolene derivatives containing divalent metals as counter-cations","CrystEngComm","2019","21","9","1423","","10.1039/C8CE01916A","","","0.71073","MoKα","","0.0329","0.0291","","","0.0629","0.0643","","","","","","1.043","","","","has coordinates","223659","2020-10-21","18:00:00",""
"7232204","10.9301","0.0005","13.295","0.0008","14.7803","0.0008","63.606","0.002","76.591","0.002","69.262","0.002","1792.14","0.17","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H76 Cl8 Fe Ni2 O10 S8 -","- C56 H76 Cl8 Fe Ni2 O10 S8 -","- C56 H76 Cl8 Fe Ni2 O10 S8 -","1","0.5","","Castillo, Oscar; Delgado, Esther; Hernández, Diego; Hernández, Elisa; Martín, Avelino; Zamora, Félix","Synthesis and structural characterization of transition metal dithiolene derivatives containing divalent metals as counter-cations","CrystEngComm","2019","21","9","1423","","10.1039/C8CE01916A","","","0.71073","","","0.0487","0.0345","","","0.1033","0.1262","","","","","","1.07","","","","has coordinates","223659","2020-10-21","18:00:00",""
"7232205","12.7382","0.0014","13.0035","0.0011","21.73","0.004","86.715","0.012","89.542","0.012","63.187","0.012","3206.5","0.8","200","2","200","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C45 H56 Ca Cl8 Fe2 O10 S8 -","- C45 H56 Ca Cl8 Fe2 O10 S8 -","- C90 H112 Ca2 Cl16 Fe4 O20 S16 -","2","1","","Castillo, Oscar; Delgado, Esther; Hernández, Diego; Hernández, Elisa; Martín, Avelino; Zamora, Félix","Synthesis and structural characterization of transition metal dithiolene derivatives containing divalent metals as counter-cations","CrystEngComm","2019","21","9","1423","","10.1039/C8CE01916A","","x-ray","0.71073","MoKα","","0.1119","0.0656","","","0.1477","0.1779","","","","","","1.084","","","","has coordinates","223659","2020-10-21","18:00:00",""
"7232206","10.6545","0.0003","11.3055","0.0003","14.3597","0.0004","93.025","0.002","111.05","0.002","98.246","0.002","1587.36","0.08","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H56 Cl8 Fe3 O10 S8 -","- C48 H56 Cl8 Fe3 O10 S8 -","- C48 H56 Cl8 Fe3 O10 S8 -","1","0.5","","Castillo, Oscar; Delgado, Esther; Hernández, Diego; Hernández, Elisa; Martín, Avelino; Zamora, Félix","Synthesis and structural characterization of transition metal dithiolene derivatives containing divalent metals as counter-cations","CrystEngComm","2019","21","9","1423","","10.1039/C8CE01916A","","x-ray","0.71073","MoKα","","0.0829","0.0631","","","0.2013","0.2165","","","","","","1.096","","","","has coordinates","223659","2020-10-21","18:00:00",""
"7232207","13.7557","0.0004","13.7884","0.0004","14.2273","0.0004","94.417","0.002","112.471","0.001","105.827","0.001","2348.67","0.12","200","2","200","2","","","","","","","","7","P -1","-P 1","2","DH194_transp_200K","","","- C34 H37 Cl7 K O6 S6 Zn3 -","- C34 H37 Cl7 K O6 S6 Zn3 -","- C68 H74 Cl14 K2 O12 S12 Zn6 -","2","1","","Castillo, Oscar; Delgado, Esther; Hernández, Diego; Hernández, Elisa; Martín, Avelino; Zamora, Félix","Synthesis and structural characterization of transition metal dithiolene derivatives containing divalent metals as counter-cations","CrystEngComm","2019","21","9","1423","","10.1039/C8CE01916A","","","0.71073","MoKα","","0.104","0.0528","","","0.1436","0.1798","","","","","","1.08","","","","has coordinates","223659","2020-10-21","18:00:00",""
"7232208","9.968","0.0012","13.477","0.001","14.244","0.0009","108.073","0.006","109.857","0.007","93.674","0.008","1679.9","0.3","200","2","200","2","","","","","","","","8","P -1","-P 1","2","","","","- C42 H50 Cl8 Fe2 N6 O6 S8 Zn -","- C42 H50 Cl8 Fe2 N6 O6 S8 Zn -","- C42 H50 Cl8 Fe2 N6 O6 S8 Zn -","1","0.5","","Castillo, Oscar; Delgado, Esther; Hernández, Diego; Hernández, Elisa; Martín, Avelino; Zamora, Félix","Synthesis and structural characterization of transition metal dithiolene derivatives containing divalent metals as counter-cations","CrystEngComm","2019","21","9","1423","","10.1039/C8CE01916A","","x-ray","0.71073","MoKα","","0.1039","0.0548","","","0.0991","0.1153","","","","","","1.071","","","","has coordinates","223659","2020-10-21","18:00:00",""
"7232209","8.3674","0.0003","9.8399","0.0005","10.6622","0.0005","93.296","0.004","93.021","0.004","101.21","0.004","857.86","0.07","130","0.1","130","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C20 H19 N3 O Se -","- C20 H19 N3 O Se -","- C40 H38 N6 O2 Se2 -","2","1","","Fellowes, Thomas; White, Jonathan M.","New insights into chalcogen bonding provided by co-crystal structures of benzisoselenazolinone derivatives and nitrogen bases","CrystEngComm","2019","21","10","1539","","10.1039/C8CE01853G","","x-ray","0.71073","MoKα","","0.0377","0.0293","","","0.0683","0.0721","","","","","","0.992","","","","has coordinates","223484","2020-10-21","18:00:00",""
"7232210","10.1249","0.0002","15.9246","0.0003","11.466","0.0002","90","","106.572","0.002","90","","1771.93","0.06","130","0.1","130","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 N3 O Se -","- C20 H23 N3 O Se -","- C80 H92 N12 O4 Se4 -","4","1","","Fellowes, Thomas; White, Jonathan M.","New insights into chalcogen bonding provided by co-crystal structures of benzisoselenazolinone derivatives and nitrogen bases","CrystEngComm","2019","21","10","1539","","10.1039/C8CE01853G","","x-ray","1.54184","CuKα","","0.0308","0.0258","","","0.0626","0.0657","","","","","","1.056","","","","has coordinates","223484","2020-10-21","18:00:00",""
"7232211","10.161","0.0002","16.0506","0.0003","11.43","0.0002","90","","104.622","0.002","90","","1803.75","0.06","130","0.1","130","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 N2 O Se -","- C21 H24 N2 O Se -","- C84 H96 N8 O4 Se4 -","4","1","","Fellowes, Thomas; White, Jonathan M.","New insights into chalcogen bonding provided by co-crystal structures of benzisoselenazolinone derivatives and nitrogen bases","CrystEngComm","2019","21","10","1539","","10.1039/C8CE01853G","","x-ray","1.54184","CuKα","","0.0378","0.0329","","","0.0819","0.0849","","","","","","1.028","","","","has coordinates","223484","2020-10-21","18:00:00",""
"7232212","17.371","0.004","5.308","0.0011","11.633","0.002","90","","90","","90","","1072.6","0.4","100","0.2","100","0.2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C14 H8 N2 O Se -","- C14 H8 N2 O Se -","- C56 H32 N8 O4 Se4 -","4","1","","Fellowes, Thomas; White, Jonathan M.","New insights into chalcogen bonding provided by co-crystal structures of benzisoselenazolinone derivatives and nitrogen bases","CrystEngComm","2019","21","10","1539","","10.1039/C8CE01853G","","","0.71092","Synchrotron","","0.0279","0.0271","","","0.0746","0.0751","","","","","","1.129","","","","has coordinates","223484","2020-10-21","18:00:00",""
"7232213","11.7848","0.0003","4.5869","0.0001","21.3572","0.0005","90","","90","","90","","1154.48","0.05","100","0.1","100","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C14 H11 N O Se -","- C14 H11 N O Se -","- C56 H44 N4 O4 Se4 -","4","1","","Fellowes, Thomas; White, Jonathan M.","New insights into chalcogen bonding provided by co-crystal structures of benzisoselenazolinone derivatives and nitrogen bases","CrystEngComm","2019","21","10","1539","","10.1039/C8CE01853G","","x-ray","0.71073","MoKα","","0.0452","0.0331","","","0.0761","0.0793","","","","","","1.063","","","","has coordinates","223484","2020-10-21","18:00:00",""
"7232214","20.7476","0.0009","4.9407","0.0002","17.6687","0.0007","90","","107.376","0.004","90","","1728.53","0.13","130.01","0.1","130.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 N3 O Se -","- C19 H13 N3 O Se -","- C76 H52 N12 O4 Se4 -","4","1","","Fellowes, Thomas; White, Jonathan M.","New insights into chalcogen bonding provided by co-crystal structures of benzisoselenazolinone derivatives and nitrogen bases","CrystEngComm","2019","21","10","1539","","10.1039/C8CE01853G","","x-ray","1.54184","CuKα","","0.0422","0.0346","","","0.0908","0.0955","","","","","","1.054","","","","has coordinates","223484","2020-10-21","18:00:00",""
"7232215","9.6002","0.0004","10.2109","0.0004","19.838","0.0007","78.71","0.003","84.901","0.003","77.458","0.004","1859.33","0.13","130","0.1","130","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C21 H21 N3 O Se -","- C21 H21 N3 O Se -","- C84 H84 N12 O4 Se4 -","4","2","","Fellowes, Thomas; White, Jonathan M.","New insights into chalcogen bonding provided by co-crystal structures of benzisoselenazolinone derivatives and nitrogen bases","CrystEngComm","2019","21","10","1539","","10.1039/C8CE01853G","","x-ray","0.71073","MoKα","","0.0903","0.0448","","","0.0903","0.112","","","","","","1.044","","","","has coordinates","223484","2020-10-21","18:00:00",""
"7232216","8.8093","0.0002","10.7445","0.0002","10.9812","0.0002","111.687","0.002","109.283","0.002","96.631","0.002","877.57","0.04","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 N4 O Se -","- C21 H18 N4 O Se -","- C42 H36 N8 O2 Se2 -","2","1","","Fellowes, Thomas; White, Jonathan M.","New insights into chalcogen bonding provided by co-crystal structures of benzisoselenazolinone derivatives and nitrogen bases","CrystEngComm","2019","21","10","1539","","10.1039/C8CE01853G","","x-ray","0.71073","MoKα","","0.0567","0.0358","","","0.0823","0.0872","","","","","","1.07","","","","has coordinates","223484","2020-10-21","18:00:00",""
"7232217","9.6254","0.0002","10.2486","0.0002","10.6505","0.0002","83.66","0.002","76.398","0.002","78.423","0.002","998.19","0.04","200","0.1","200","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C21 H23 N3 O2 Se -","- C21 H23 N3 O2 Se -","- C42 H46 N6 O4 Se2 -","2","1","","Fellowes, Thomas; White, Jonathan M.","New insights into chalcogen bonding provided by co-crystal structures of benzisoselenazolinone derivatives and nitrogen bases","CrystEngComm","2019","21","10","1539","","10.1039/C8CE01853G","","x-ray","0.71073","MoKα","","0.116","0.0456","","","0.1004","0.1219","","","","","","1","","","","has coordinates","223484","2020-10-21","18:00:00",""
"7232225","7.2451","0.001","7.8674","0.001","16.65","0.002","87.647","0.009","86.278","0.009","83.882","0.009","941.1","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","2-oxo-3,4-dichloro-2,5-dihydrofuran-5-ylsulfonyl) ethanoic acid","","- C6 H4 Cl2 O6 S -","- C6 H4 Cl2 O6 S -","- C24 H16 Cl8 O24 S4 -","4","2","","Lodochnikova, Olga A.; Latypova, Liliya Z.; Madzhidov, Timur I.; Chmutova, Galina A.; Voronina, Julia K.; Gubaidullin, Aidar T.; Kurbangalieva, Almira R.","“Lp⋯synthon” interaction as a reason for the strong amplification of synthon-forming hydrogen bonds","CrystEngComm","2019","21","9","1499","","10.1039/C8CE01982G","","x-ray","0.71073","MoKα","","0.0357","0.0304","","","0.073","0.076","","","","","","1.055","","","","has coordinates","223661","2020-10-21","18:00:00",""
"7232226","7.7319","0.0005","9.613","0.0007","13.2774","0.0009","90","","96.761","0.002","90","","980","0.12","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-oxo-3,4-dichloro-2,5-dihydrofuran-5-ylsulfonyl) ethanoic acid","","- C6 H4 Cl2 O6 S -","- C6 H4 Cl2 O6 S -","- C24 H16 Cl8 O24 S4 -","4","1","","Lodochnikova, Olga A.; Latypova, Liliya Z.; Madzhidov, Timur I.; Chmutova, Galina A.; Voronina, Julia K.; Gubaidullin, Aidar T.; Kurbangalieva, Almira R.","“Lp⋯synthon” interaction as a reason for the strong amplification of synthon-forming hydrogen bonds","CrystEngComm","2019","21","9","1499","","10.1039/C8CE01982G","","x-ray","0.71073","MoKα","","0.0238","0.0226","","","0.0574","0.0585","","","","","","1.082","","","","has coordinates","223661","2020-10-21","18:00:00",""
"7232227","7.953","0.007","9.744","0.008","13.366","0.011","90","","97.174","0.01","90","","1027.7","1.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(3,4-Dibromo-2-oxo-2,5-dihydrofuran-5-ylsulfonyl)ethanoic acid","","- C6 H4 Br2 O6 S -","- C6 H4 Br2 O6 S -","- C24 H16 Br8 O24 S4 -","4","1","","Lodochnikova, Olga A.; Latypova, Liliya Z.; Madzhidov, Timur I.; Chmutova, Galina A.; Voronina, Julia K.; Gubaidullin, Aidar T.; Kurbangalieva, Almira R.","“Lp⋯synthon” interaction as a reason for the strong amplification of synthon-forming hydrogen bonds","CrystEngComm","2019","21","9","1499","","10.1039/C8CE01982G","","x-ray","0.71073","MoKα","","0.0432","0.0307","","","0.0659","0.0704","","","","","","1.022","","","","has coordinates","223661","2020-10-21","18:00:00",""
"7232228","15.0421","0.0005","11.2751","0.0004","15.5078","0.0005","90","","104.491","0.002","90","","2546.47","0.15","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H15 N3 O S -","- C11 H15 N3 O S -","- C88 H120 N24 O8 S8 -","8","1","","Tarai, Arup; Baruah, Jubaraj Bikash","Separation or combination of non-covalently linked partners provides polymorphs of N-(aryl)-2-(propan-2-ylidene)hydrazine carbothioamides","CrystEngComm","2019","21","9","1397","","10.1039/C8CE02000K","","","0.71073","MoKα","","0.0524","0.0369","","","0.0954","0.1035","","","","","","1.056","","","","has coordinates","223663","2020-10-21","18:00:00",""
"7232229","23.606","0.002","8.1378","0.0008","14.5476","0.0014","90","","115.51","0.007","90","","2522.2","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H15 N3 O S -","- C11 H15 N3 O S -","- C88 H120 N24 O8 S8 -","8","1","","Tarai, Arup; Baruah, Jubaraj Bikash","Separation or combination of non-covalently linked partners provides polymorphs of N-(aryl)-2-(propan-2-ylidene)hydrazine carbothioamides","CrystEngComm","2019","21","9","1397","","10.1039/C8CE02000K","","","0.71073","MoKα","","0.0731","0.0505","","","0.0991","0.1091","","","","","","1.003","","","","has coordinates","223663","2020-10-21","18:00:00",""
"7232230","13.169","0.0012","4.4889","0.0004","20.4829","0.0018","90","","90","","90","","1210.83","0.19","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C10 H12 N4 O2 S -","- C10 H12 N4 O2 S -","- C40 H48 N16 O8 S4 -","4","1","","Tarai, Arup; Baruah, Jubaraj Bikash","Separation or combination of non-covalently linked partners provides polymorphs of N-(aryl)-2-(propan-2-ylidene)hydrazine carbothioamides","CrystEngComm","2019","21","9","1397","","10.1039/C8CE02000K","","","0.71073","MoKα","","0.0912","0.0505","","","0.1119","0.1284","","","","","","1.003","","","","has coordinates","223663","2020-10-21","18:00:00",""
"7232231","6.5101","0.0011","9.753","0.0016","10.3547","0.0019","81.848","0.012","72.076","0.013","81.359","0.013","615.24","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H12 N4 O2 S -","- C10 H12 N4 O2 S -","- C20 H24 N8 O4 S2 -","2","1","","Tarai, Arup; Baruah, Jubaraj Bikash","Separation or combination of non-covalently linked partners provides polymorphs of N-(aryl)-2-(propan-2-ylidene)hydrazine carbothioamides","CrystEngComm","2019","21","9","1397","","10.1039/C8CE02000K","","","0.71073","MoKα","","0.0625","0.0428","","","0.1059","0.1161","","","","","","1.071","","","","has coordinates","223663","2020-10-21","18:00:00",""
"7232232","6.5899","0.0013","15.349","0.003","15.887","0.003","102.55","0.03","92.36","0.03","92.73","0.03","1564.6","0.6","113","2","113.15","","","","","","","","","5","P -1","-P 1","2","","gliquidone","","- C30 H42 N4 O7 S -","- C30 H42 N4 O7 S -","- C60 H84 N8 O14 S2 -","2","1","","Jia, Lina; Yu, Yang; Wang, Mengwei; Ouyang, Hanzhi; Gong, Junbo","Preparation and characterization for multicomponent crystals of the antidiabetic drug gliquidone based on crystal engineering","CrystEngComm","2019","21","10","1617","","10.1039/C8CE01848K","","","0.71073","MoKα","","0.083","0.0516","","","0.1076","0.1237","","","","","","0.977","","","","has coordinates","223486","2020-10-21","18:00:00",""
"7232233","6.5593","0.0013","16.171","0.003","16.454","0.003","74.56","0.03","89.11","0.03","86.78","0.03","1679.6","0.6","113","2","113.15","","","","","","","","","5","P -1","-P 1","2","","gliquidone","","- C33 H48 N4 O7 S -","- C33 H48 N4 O7 S -","- C66 H96 N8 O14 S2 -","2","1","","Jia, Lina; Yu, Yang; Wang, Mengwei; Ouyang, Hanzhi; Gong, Junbo","Preparation and characterization for multicomponent crystals of the antidiabetic drug gliquidone based on crystal engineering","CrystEngComm","2019","21","10","1617","","10.1039/C8CE01848K","","","0.71073","MoKα","","0.1237","0.0835","","","0.1953","0.2132","","","","","","0.94","","","","has coordinates","223486","2020-10-21","18:00:00",""
"7232234","6.5017","0.0013","16.269","0.003","16.495","0.003","105.54","0.03","90.98","0.03","93.01","0.03","1677.8","0.6","113","2","113.15","","","","","","","","","5","P -1","-P 1","2","","gliquidone","","- C32 H46 N4 O7 S -","- C32 H46 N4 O7 S -","- C64 H92 N8 O14 S2 -","2","1","","Jia, Lina; Yu, Yang; Wang, Mengwei; Ouyang, Hanzhi; Gong, Junbo","Preparation and characterization for multicomponent crystals of the antidiabetic drug gliquidone based on crystal engineering","CrystEngComm","2019","21","10","1617","","10.1039/C8CE01848K","","","0.71073","MoKα","","0.1093","0.0694","","","0.1415","0.1617","","","","","","1.048","","","","has coordinates","223486","2020-10-21","18:00:00",""
"7232235","6.3818","0.0001","11.7984","0.0002","22.1415","0.0003","88.772","0.001","84.416","0.001","78.101","0.001","1623.58","0.04","159.99","0.1","159.99","0.1","","","","","","","","5","P -1","-P 1","2","","gliquidone","","- C31 H44 N4 O7 S -","- C31 H44 N4 O7 S -","- C62 H88 N8 O14 S2 -","2","1","","Jia, Lina; Yu, Yang; Wang, Mengwei; Ouyang, Hanzhi; Gong, Junbo","Preparation and characterization for multicomponent crystals of the antidiabetic drug gliquidone based on crystal engineering","CrystEngComm","2019","21","10","1617","","10.1039/C8CE01848K","","x-ray","1.54184","CuKα","","0.0504","0.0468","","","0.1272","0.1302","","","","","","1.063","","","","has coordinates,has disorder","223486","2020-10-21","18:00:00",""
"7232236","13.1788","0.0009","21.4947","0.0016","22.2362","0.0018","90","","106.952","0.002","90","","6025.3","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5,10,15,20-Tetramesityl-2-(4-pyridyl)-1H-imidazo[4,5-b]porphyrinato zinc(II)","","- C76 H71 N7 Zn -","- C76 H71 N7 Zn -","- C304 H284 N28 Zn4 -","4","1","","Abdulaeva, Inna A.; Birin, Kirill P.; Sinelshchikova, Anna A.; Grigoriev, Mikhail S.; Lyssenko, Konstantin A.; Gorbunova, Yulia G.; Tsivadze, Aslan Yu.; Bessmertnykh-Lemeune, Alla","Imidazoporphyrins as supramolecular tectons: synthesis and self-assembly of zinc 2-(4-pyridyl)-1H-imidazo[4,5-b]porphyrinate","CrystEngComm","2019","21","9","1488","","10.1039/C8CE01992D","","","0.71073","MoKα","","0.1195","0.0599","","","0.1342","0.1594","","","","","","1.015","","","","has coordinates","223660","2020-10-21","18:00:00",""
"7232237","14.259","0.002","13.0995","0.0013","10.2027","0.0014","90","","123.36","0.02","90","","1591.7","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- B12 H2 Li2 Na2 O21 -","- B12 H2 Li2 Na2 O21 -","- B48 H8 Li8 Na8 O84 -","4","0.5","","Han, Bei-Bei; Cheng, Jian-Wen; Yang, Guo-Yu","Li2Na2[B12O19(OH)2]: a new open framework borate with a pcu-type net constructed from large cyclic dodeca-oxoboron units","CrystEngComm","2019","21","8","1262","","10.1039/C8CE02175A","","","0.71073","MoKα","","0.0389","0.0298","","","0.0765","0.0805","","","","","","1.047","","","","has coordinates","223523","2020-10-21","18:00:00",""
"7232241","10.1382","0.0011","12.7716","0.0014","13.5128","0.0014","79.967","0.002","89.142","0.002","76.356","0.002","1673.7","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H21 N10 O7 -","- C32 H21 N10 O7 -","- C64 H42 N20 O14 -","2","1","","Li, Yangxue; Yu, Haiyang; Xu, Feifan; Guo, Qiaoyuan; Xie, Zhigang; Sun, Zhiyong","Solvent controlled self-assembly of π-stacked/H-bonded supramolecular organic frameworks from a C3-symmetric monomer for iodine adsorption","CrystEngComm","2019","21","11","1742","","10.1039/C8CE01800F","","","0.71073","MoKα","","0.0889","0.0719","","","0.2069","0.2265","","","","","","1.086","","","","has coordinates","223723","2020-10-21","18:00:00",""
"7232242","11.9851","0.0017","12.2632","0.0017","13.7369","0.0019","94.016","0.002","112.728","0.002","103.896","0.002","1777.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H21 N9 O8 S -","- C33 H21 N9 O8 S -","- C66 H42 N18 O16 S2 -","2","1","","Li, Yangxue; Yu, Haiyang; Xu, Feifan; Guo, Qiaoyuan; Xie, Zhigang; Sun, Zhiyong","Solvent controlled self-assembly of π-stacked/H-bonded supramolecular organic frameworks from a C3-symmetric monomer for iodine adsorption","CrystEngComm","2019","21","11","1742","","10.1039/C8CE01800F","","","0.71073","MoKα","","0.1055","0.0889","","","0.2548","0.2729","","","","","","1.057","","","","has coordinates","223723","2020-10-21","18:00:00",""
"7232243","7.4872","0.0006","12.4001","0.001","17.0797","0.0013","109.166","0.002","99.619","0.002","93.273","0.002","1466.1","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H21 N9 O7 -","- C27 H21 N9 O7 -","- C54 H42 N18 O14 -","2","1","","Li, Yangxue; Yu, Haiyang; Xu, Feifan; Guo, Qiaoyuan; Xie, Zhigang; Sun, Zhiyong","Solvent controlled self-assembly of π-stacked/H-bonded supramolecular organic frameworks from a C3-symmetric monomer for iodine adsorption","CrystEngComm","2019","21","11","1742","","10.1039/C8CE01800F","","","0.71073","MoKα","","0.1057","0.0654","","","0.1759","0.2061","","","","","","1.033","","","","has coordinates,has disorder","223723","2020-10-21","18:00:00",""
"7232244","13.729","0.007","11.895","0.006","16.192","0.008","90","","101.35","0.01","90","","2593","2","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 Br2 Cd N2 O6 -","- C26 H24 Br2 Cd N2 O6 -","- C104 H96 Br8 Cd4 N8 O24 -","4","1","","Wang, Hai Yu; Liu, Shuang; Fu, Chen; Zhang, Hong","Two novel multichromic coordination polymers based on a new flexible viologen ligand exhibiting photocontrolled luminescence properties and sensitive detection for ammonia","CrystEngComm","2019","21","10","1635","","10.1039/C8CE01948G","","","0.71073","MoKα","","0.0824","0.0689","","","0.2138","0.2257","","","","","","1.043","","","","has coordinates","223485","2020-10-21","18:00:00",""
"7232245","21.974","0.006","10.015","0.002","13.444","0.004","90","","115.916","0.008","90","","2661.1","1.2","287","2","287","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H20 Cd N4 O4 S2 -","- C28 H20 Cd N4 O4 S2 -","- C112 H80 Cd4 N16 O16 S8 -","4","0.5","","Wang, Hai Yu; Liu, Shuang; Fu, Chen; Zhang, Hong","Two novel multichromic coordination polymers based on a new flexible viologen ligand exhibiting photocontrolled luminescence properties and sensitive detection for ammonia","CrystEngComm","2019","21","10","1635","","10.1039/C8CE01948G","","","0.71073","MoKα","","0.0755","0.056","","","0.1294","0.1421","","","","","","1.15","","","","has coordinates","223485","2020-10-21","18:00:00",""
"7232246","11.974","0.002","14.046","0.003","15.893","0.003","90","","99.78","0.03","90","","2634.1","0.9","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H24 Mn N6 Se8 Sn3 -","- C6 H24 Mn N6 Se8 Sn3 -","- C24 H96 Mn4 N24 Se32 Sn12 -","4","1","","Han, Jingyu; Zhang, Limei; Li, Shufen; Zheng, Wei; Jia, Dingxian; Yuan, Yaxian","Alcohol-solvothermal syntheses, crystal structures and photocatalytic properties of tin selenides with polyselenide ligands","CrystEngComm","2019","21","10","1642","","10.1039/C8CE02065E","","","0.71073","MoKα","","0.0432","0.0304","","","0.0795","0.0809","","","","","","1.027","","","","has coordinates","223487","2020-10-21","18:00:00",""
"7232247","11.949","0.002","14.06","0.003","15.794","0.003","90","","100.39","0.03","90","","2609.9","0.9","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H24 N6 Se8 Sn3 Zn -","- C6 H24 N6 Se8 Sn3 Zn -","- C24 H96 N24 Se32 Sn12 Zn4 -","4","1","","Han, Jingyu; Zhang, Limei; Li, Shufen; Zheng, Wei; Jia, Dingxian; Yuan, Yaxian","Alcohol-solvothermal syntheses, crystal structures and photocatalytic properties of tin selenides with polyselenide ligands","CrystEngComm","2019","21","10","1642","","10.1039/C8CE02065E","","","0.71073","MoKα","","0.0538","0.0374","","","0.0781","0.0907","","","","","","1.118","","","","has coordinates","223487","2020-10-21","18:00:00",""
"7232248","11.95","0.002","14.083","0.003","17.995","0.006","90","","120.25","0.02","90","","2616","1.2","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H24 Fe N6 Se8 Sn3 -","- C6 H24 Fe N6 Se8 Sn3 -","- C24 H96 Fe4 N24 Se32 Sn12 -","4","1","","Han, Jingyu; Zhang, Limei; Li, Shufen; Zheng, Wei; Jia, Dingxian; Yuan, Yaxian","Alcohol-solvothermal syntheses, crystal structures and photocatalytic properties of tin selenides with polyselenide ligands","CrystEngComm","2019","21","10","1642","","10.1039/C8CE02065E","","","0.71073","MoKα","","0.0618","0.048","","","0.0862","0.1094","","","","","","1.111","","","","has coordinates","223487","2020-10-21","18:00:00",""
"7232249","10.104","0.002","12.048","0.002","12.107","0.002","89.524","0.014","75.445","0.017","75.777","0.017","1380.5","0.5","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H24 N6 Ni Se12 Sn -","- C6 H24 N6 Ni Se12 Sn -","- C12 H48 N12 Ni2 Se24 Sn2 -","2","1","","Han, Jingyu; Zhang, Limei; Li, Shufen; Zheng, Wei; Jia, Dingxian; Yuan, Yaxian","Alcohol-solvothermal syntheses, crystal structures and photocatalytic properties of tin selenides with polyselenide ligands","CrystEngComm","2019","21","10","1642","","10.1039/C8CE02065E","","","0.71073","MoKα","","0.0628","0.0471","","","0.0732","0.0929","","","","","","1.002","","","","has coordinates","223487","2020-10-21","18:00:00",""
"7232250","14.869","0.003","11.888","0.002","13.86","0.003","90","","90","","90","","2449.9","0.8","223","2","223","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C6 H24 N6 Ni Se7.5 Sn3 -","- C6 H16 N6 Ni Se7.5 Sn3 -","- C24 H64 N24 Ni4 Se30 Sn12 -","4","1","","Han, Jingyu; Zhang, Limei; Li, Shufen; Zheng, Wei; Jia, Dingxian; Yuan, Yaxian","Alcohol-solvothermal syntheses, crystal structures and photocatalytic properties of tin selenides with polyselenide ligands","CrystEngComm","2019","21","10","1642","","10.1039/C8CE02065E","","","0.71073","MoKα","","0.0678","0.0434","","","0.0842","0.1012","","","","","","1.118","","","","has coordinates","223487","2020-10-21","18:00:00",""
"7232251","10.222","0.002","12.175","0.002","12.394","0.003","89.37","0.03","74.97","0.03","75.66","0.03","1440.9","0.6","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H24 Mn N6 Se12 Sn -","- C6 H24 Mn N6 Se12 Sn -","- C12 H48 Mn2 N12 Se24 Sn2 -","2","1","","Han, Jingyu; Zhang, Limei; Li, Shufen; Zheng, Wei; Jia, Dingxian; Yuan, Yaxian","Alcohol-solvothermal syntheses, crystal structures and photocatalytic properties of tin selenides with polyselenide ligands","CrystEngComm","2019","21","10","1642","","10.1039/C8CE02065E","","","0.71073","MoKα","","0.0549","0.0411","","","0.0884","0.0921","","","","","","1.106","","","","has coordinates","223487","2020-10-21","18:00:00",""
"7232252","10.223","0.002","12.106","0.002","12.263","0.003","89.4","0.03","89.4","0.03","75.45","0.03","1468.9","0.6","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H24 Fe N6 Se12 Sn -","- C6 H12 Fe N6 Se12 Sn -","- C12 H24 Fe2 N12 Se24 Sn2 -","2","1","","Han, Jingyu; Zhang, Limei; Li, Shufen; Zheng, Wei; Jia, Dingxian; Yuan, Yaxian","Alcohol-solvothermal syntheses, crystal structures and photocatalytic properties of tin selenides with polyselenide ligands","CrystEngComm","2019","21","10","1642","","10.1039/C8CE02065E","","","0.71073","MoKα","","0.063","0.0541","","","0.0854","0.1093","","","","","","1.013","","","","has coordinates","223487","2020-10-21","18:00:00",""
"7232253","10.156","0.002","12.096","0.002","12.109","0.002","89.64","0.03","75.49","0.03","75.87","0.03","1394.1","0.5","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H24 N6 Se12 Sn Zn -","- C6 H24 N6 Se12 Sn Zn -","- C12 H48 N12 Se24 Sn2 Zn2 -","2","1","","Han, Jingyu; Zhang, Limei; Li, Shufen; Zheng, Wei; Jia, Dingxian; Yuan, Yaxian","Alcohol-solvothermal syntheses, crystal structures and photocatalytic properties of tin selenides with polyselenide ligands","CrystEngComm","2019","21","10","1642","","10.1039/C8CE02065E","","","0.71073","MoKα","","0.0612","0.0497","","","0.0964","0.1106","","","","","","1.05","","","","has coordinates","223487","2020-10-21","18:00:00",""
"7232271","9.7845","0.0014","5.5978","0.0008","32.633","0.005","90","","95.028","0.01","90","","1780.5","0.5","296","2","296","","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C26 H18 -","- C26 H18 -","- C104 H72 -","4","2","","Li, Ye-Xin; Yu, Zhen-Feng; Zhu, Cun-Zhao; Yang, Xiao-Feng; Nie, Yong; Cui, Yu; Sun, Guo-Xin","Three new metastable polymorphs of 1-(9-anthryl)-2-(1-naphthyl)ethylene and the polymorph-dependent phase transition and fluorescence change properties","CrystEngComm","2019","21","9","1512","","10.1039/C8CE01935E","","","1.34139","GaKα","","0.2605","0.0799","","","0.1551","0.2312","","","","","","0.96","","","","has coordinates","223664","2020-10-21","18:00:00",""
"7232272","7.8816","0.0008","10.022","0.001","10.4165","0.0011","106.091","0.004","94.967","0.005","100.946","0.004","767.68","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(2RS,3RS)-2-bromo-3-hydroxy-1-(4-methylphenyl)-3-(2-nitrophenyl)-propan-1-one","","- C16 H14 Br N O4 -","- C16 H14 Br N O4 -","- C32 H28 Br2 N2 O8 -","2","1","","Fayzullin, Robert R.; Shteingolts, Sergey A.; Lodochnikova, Olga A.; Mamedova, Vera L.; Korshin, Dmitry E.; Mamedov, Vakhid A.","Intermolecular head-to-head interaction of carbonyl groups in bicyclic hydrogen-bonded synthon based on β-hydroxy ketones","CrystEngComm","2019","21","10","1587","","10.1039/C8CE02132E","","x-ray","0.71073","MoKα","","0.0644","0.0488","","","0.1291","0.1403","","","","","","1.065","","","","has coordinates","223480","2020-10-21","18:00:00",""
"7232273","7.746","0.002","7.881","0.002","12.467","0.004","92.37","0.004","103.44","0.004","94.136","0.004","737","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(2RS,3RS)-2-bromo-3-hydroxy-3-(2-nitrophenyl)-1-phenylpropan-1-one","","- C15 H12 Br N O4 -","- C15 H12 Br N O4 -","- C30 H24 Br2 N2 O8 -","2","1","","Fayzullin, Robert R.; Shteingolts, Sergey A.; Lodochnikova, Olga A.; Mamedova, Vera L.; Korshin, Dmitry E.; Mamedov, Vakhid A.","Intermolecular head-to-head interaction of carbonyl groups in bicyclic hydrogen-bonded synthon based on β-hydroxy ketones","CrystEngComm","2019","21","10","1587","","10.1039/C8CE02132E","","x-ray","0.71073","MoKα","","0.0537","0.0442","","","0.1129","0.1188","","","","","","1.049","","","","has coordinates","223480","2020-10-21","18:00:00",""
"7232274","7.8","0.004","15.919","0.008","10.373","0.005","90","","98.416","0.006","90","","1274.1","1.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(2RS,3SR)-3-(2-nitrophenyl)-1-phenyl-2,3-epoxypropan-1-one","","- C15 H11 N O4 -","- C15 H11 N O4 -","- C60 H44 N4 O16 -","4","1","","Fayzullin, Robert R.; Shteingolts, Sergey A.; Lodochnikova, Olga A.; Mamedova, Vera L.; Korshin, Dmitry E.; Mamedov, Vakhid A.","Intermolecular head-to-head interaction of carbonyl groups in bicyclic hydrogen-bonded synthon based on β-hydroxy ketones","CrystEngComm","2019","21","10","1587","","10.1039/C8CE02132E","","x-ray","0.71073","MoKα","","0.0654","0.0404","","","0.0916","0.1047","","","","","","1.025","","","","has coordinates","223480","2020-10-21","18:00:00",""
"7232275","14.847","0.011","7.932","0.006","14.919","0.011","90","","118.211","0.009","90","","1548","2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(2RS,3RS)-2-bromo-1-(4-chlorophenyl)-3-hydroxy-3-(2-nitrophenyl)-propan-1-one","","- C15 H11 Br Cl N O4 -","- C15 H11 Br Cl N O4 -","- C60 H44 Br4 Cl4 N4 O16 -","4","1","","Fayzullin, Robert R.; Shteingolts, Sergey A.; Lodochnikova, Olga A.; Mamedova, Vera L.; Korshin, Dmitry E.; Mamedov, Vakhid A.","Intermolecular head-to-head interaction of carbonyl groups in bicyclic hydrogen-bonded synthon based on β-hydroxy ketones","CrystEngComm","2019","21","10","1587","","10.1039/C8CE02132E","","x-ray","0.71073","MoKα","","0.0833","0.0551","","","0.1344","0.1496","","","","","","1.049","","","","has coordinates","223480","2020-10-21","18:00:00",""
"7232276","13.8179","0.0005","4.53024","0.00016","16.5413","0.0006","90","","90.096","0.003","90","","1035.46","0.06","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds ‒ the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","0.71073","MoKα","","0.0649","0.0628","","","0.176","0.1776","","","","","","1.096","","","","has coordinates","223720","2020-10-21","18:00:00",""
"7232277","13.7983","0.0005","4.54885","0.00013","16.5972","0.0005","90","","89.979","0.003","90","","1041.75","0.06","190.03","0.1","190.03","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds ‒ the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0504","0.0488","","","0.1306","0.1335","","","","","","1.014","","","","has coordinates","223720","2020-10-21","18:00:00",""
"7232278","13.7588","0.0005","4.52816","0.00013","16.5509","0.0005","90","","89.976","0.003","90","","1031.15","0.06","104","6","104","6","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds ‒ the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0473","0.0465","","","0.1212","0.1225","","","","","","1.044","","","","has coordinates","223720","2020-10-21","18:00:00",""
"7232279","13.7503","0.0004","4.52597","0.00012","16.5449","0.0005","90","","89.976","0.003","90","","1029.65","0.05","90.1","0.4","90.1","0.4","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds ‒ the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0464","0.0458","","","0.1203","0.1213","","","","","","1.041","","","","has coordinates","223720","2020-10-21","18:00:00",""
"7232280","13.7934","0.0004","4.54536","0.00012","16.5872","0.0005","90","","89.979","0.003","90","","1039.95","0.05","179.97","0.1","179.97","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds ‒ the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0473","0.0461","","","0.1236","0.126","","","","","","1.031","","","","has coordinates","223720","2020-10-21","18:00:00",""
"7232281","13.7896","0.0005","4.54222","0.00014","16.5883","0.0005","90","","89.976","0.003","90","","1039.01","0.06","170.03","0.1","170.03","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds ‒ the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0483","0.0471","","","0.1249","0.1272","","","","","","1.051","","","","has coordinates","223720","2020-10-21","18:00:00",""
"7232282","13.8039","0.0005","4.55103","0.00013","16.6046","0.0005","90","","89.998","0.003","90","","1043.13","0.06","199.97","0.1","199.97","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds ‒ the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.049","0.0474","","","0.1253","0.1287","","","","","","1.035","","","","has coordinates","223720","2020-10-21","18:00:00",""
"7232283","13.8211","0.0006","4.55654","0.00016","16.6176","0.0006","90","","89.991","0.004","90","","1046.52","0.07","219.98","0.1","219.98","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds ‒ the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.05","0.0476","","","0.126","0.131","","","","","","1.06","","","","has coordinates","223720","2020-10-21","18:00:00",""
"7232284","13.7768","0.0005","4.53799","0.00013","16.578","0.0005","90","","89.98","0.003","90","","1036.44","0.06","150.03","0.1","150.03","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds ‒ the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0489","0.0483","","","0.1271","0.1285","","","","","","1.047","","","","has coordinates","223720","2020-10-21","18:00:00",""
"7232285","13.849","0.0006","4.57028","0.00016","16.6432","0.0006","90","","89.994","0.004","90","","1053.41","0.07","270.02","0.1","270.02","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds ‒ the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0579","0.0529","","","0.1411","0.1489","","","","","","1.037","","","","has coordinates","223720","2020-10-21","18:00:00",""
"7232286","13.8281","0.0006","4.55914","0.00015","16.6195","0.0006","90","","89.994","0.004","90","","1047.76","0.07","230.01","0.1","230.01","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds ‒ the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0539","0.0511","","","0.1357","0.1412","","","","","","1.045","","","","has coordinates","223720","2020-10-21","18:00:00",""
"7232287","13.8405","0.0006","4.56458","0.00016","16.6279","0.0006","90","","89.994","0.004","90","","1050.49","0.07","250.02","0.1","250.02","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds ‒ the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0557","0.052","","","0.14","0.1455","","","","","","1.065","","","","has coordinates","223720","2020-10-21","18:00:00",""
"7232288","13.7827","0.0005","4.54004","0.00014","16.5843","0.0005","90","","89.974","0.003","90","","1037.75","0.06","159.98","0.1","159.98","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds ‒ the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0485","0.0475","","","0.1261","0.128","","","","","","1.045","","","","has coordinates","223720","2020-10-21","18:00:00",""
"7232289","13.8462","0.0007","4.56671","0.00018","16.6389","0.0007","90","","89.992","0.004","90","","1052.1","0.08","259.98","0.1","259.98","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds ‒ the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0508","0.0473","","","0.1264","0.1319","","","","","","1.055","","","","has coordinates","223720","2020-10-21","18:00:00",""
"7232290","13.8767","0.001","4.5831","0.0003","16.6695","0.0011","90","","89.995","0.006","90","","1060.15","0.12","310.02","0.1","310.02","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds ‒ the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0706","0.0634","","","0.1729","0.1867","","","","","","1.036","","","","has coordinates","223720","2020-10-21","18:00:00",""
"7232291","13.7702","0.0004","4.53628","0.00013","16.5687","0.0005","90","","89.989","0.003","90","","1034.97","0.05","139.99","0.1","139.99","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds ‒ the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0464","0.0458","","","0.1224","0.1235","","","","","","1.044","","","","has coordinates","223720","2020-10-21","18:00:00",""
"7232292","13.8115","0.0005","4.55378","0.00014","16.6052","0.0005","90","","89.99","0.003","90","","1044.38","0.06","210.02","0.1","210.02","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds ‒ the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0528","0.0507","","","0.1343","0.1388","","","","","","1.031","","","","has coordinates","223720","2020-10-21","18:00:00",""
"7232293","13.7678","0.0004","4.53467","0.00013","16.5652","0.0005","90","","89.975","0.003","90","","1034.21","0.05","130.02","0.1","130.02","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds ‒ the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0474","0.0466","","","0.124","0.1254","","","","","","1.052","","","","has coordinates","223720","2020-10-21","18:00:00",""
"7232294","13.8327","0.0007","4.56126","0.00018","16.6307","0.0007","90","","90.013","0.004","90","","1049.31","0.08","239.98","0.1","239.98","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds ‒ the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0501","0.0474","","","0.1245","0.1293","","","","","","1.051","","","","has coordinates","223720","2020-10-21","18:00:00",""
"7232295","13.757","0.0005","4.53004","0.00014","16.5589","0.0005","90","","89.965","0.003","90","","1031.95","0.06","110.02","0.12","110.02","0.12","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds ‒ the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0478","0.0472","","","0.1241","0.1252","","","","","","1.042","","","","has coordinates","223720","2020-10-21","18:00:00",""
"7232296","13.7629","0.0005","4.53229","0.00013","16.5628","0.0005","90","","89.962","0.003","90","","1033.15","0.06","122","3","122","3","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds ‒ the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.048","0.0473","","","0.1246","0.1263","","","","","","1.038","","","","has coordinates","223720","2020-10-21","18:00:00",""
"7232297","13.8533","0.0007","4.57352","0.00016","16.647","0.0007","90","","89.994","0.004","90","","1054.73","0.08","279.99","0.1","279.99","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds ‒ the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0526","0.0482","","","0.1271","0.1347","","","","","","1.058","","","","has coordinates","223720","2020-10-21","18:00:00",""
"7232298","13.8662","0.0007","4.58166","0.00018","16.6568","0.0007","90","","90.015","0.004","90","","1058.21","0.08","300","0.1","300","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","1-hydroxypyrene","","- C16 H10 O -","- C16 H10 O -","- C64 H40 O4 -","4","2","","Gajda, Roman; Domański, Mateusz A.; Malinska, Maura; Makal, Anna","Crystal morphology fixed by interplay of π-stacking and hydrogen bonds ‒ the case of 1-hydroxypyrene","CrystEngComm","2019","21","11","1701","","10.1039/C8CE02130A","","x-ray","1.54184","CuKα","","0.0569","0.0521","","","0.1383","0.1461","","","","","","1.043","","","","has coordinates","223720","2020-10-21","18:00:00",""
"7232305","12.036","0.007","12.533","0.007","14.01","0.013","109.014","0.01","97.412","0.01","118.495","0.007","1650","2","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H22 F6 N2 O5 -","- C31 H22 F6 N2 O5 -","- C62 H44 F12 N4 O10 -","2","1","","Zhang, He; Gao, Xue-Wang; Wang, Li; Zhao, Xinsheng; Li, Qiu-Yan; Wang, Xiao-Jun","Microwave-assisted synthesis of urea-containing zirconium metal‒organic frameworks for heterogeneous catalysis of Henry reactions","CrystEngComm","2019","21","9","1358","","10.1039/C8CE02153H","","","0.71073","MoKα","","0.1343","0.0689","","","0.1676","0.1884","","","","","","0.941","","","","has coordinates,has disorder","223662","2020-10-21","18:00:00",""
"7232309","14.7342","0.0005","12.3434","0.0004","25.1181","0.0009","90","","103.275","0.001","90","","4446.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C90 H92 Co5 N10 O28 -","- C90 H92 Co5 N10 O28 -","- C180 H184 Co10 N20 O56 -","2","0.5","","Fan, Yanru; Li, Xiao; Gao, Kuan; Liu, Yu; Meng, Xiangru; Wu, Jie; Hou, Hongwei","Co(ii)-cluster-based metal‒organic frameworks as efficient heterogeneous catalysts for selective oxidation of arylalkanes","CrystEngComm","2019","21","10","1666","","10.1039/C8CE02151A","","","0.71073","MoKα","","0.0538","0.0357","","","0.0856","0.0941","","","","","","1.026","","","","has coordinates","223482","2020-10-21","18:00:00",""
"7232310","10.6338","0.0004","22.9546","0.0009","12.9795","0.0004","90","","96.78","0.001","90","","3146.1","0.2","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C68 H68 Co2 N8 O13 -","- C68 H68 Co2 N8 O13 -","- C136 H136 Co4 N16 O26 -","2","1","","Fan, Yanru; Li, Xiao; Gao, Kuan; Liu, Yu; Meng, Xiangru; Wu, Jie; Hou, Hongwei","Co(ii)-cluster-based metal‒organic frameworks as efficient heterogeneous catalysts for selective oxidation of arylalkanes","CrystEngComm","2019","21","10","1666","","10.1039/C8CE02151A","","","0.71073","MoKα","","0.0553","0.0389","","","0.0961","0.1049","","","","","","0.986","","","","has coordinates","223482","2020-10-21","18:00:00",""
"7232311","10.8175","0.0005","13.0914","0.0006","22.9369","0.001","96.939","0.002","99.947","0.002","100.57","0.002","3105.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H44 Co2 N6 O8 -","- C60 H44 Co2 N6 O8 -","- C120 H88 Co4 N12 O16 -","2","1","","Fan, Yanru; Li, Xiao; Gao, Kuan; Liu, Yu; Meng, Xiangru; Wu, Jie; Hou, Hongwei","Co(ii)-cluster-based metal‒organic frameworks as efficient heterogeneous catalysts for selective oxidation of arylalkanes","CrystEngComm","2019","21","10","1666","","10.1039/C8CE02151A","","","0.71073","MoKα","","0.0984","0.0556","","","0.147","0.1647","","","","","","1.032","","","","has coordinates","223482","2020-10-21","18:00:00",""
"7232321","5.0637","0.0004","4.9677","0.0004","29.092","0.002","90","","94.332","0.002","90","","729.72","0.1","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 F6 N2 O2 -","- C16 H10 F6 N2 O2 -","- C32 H20 F12 N4 O4 -","2","0.5","","Bhandary, Subhrajyoti; Panini, Piyush; Chopra, Deepak","Evaluating the importance of fractional Z′ polymorphs in a trifluoromethylated N,N′-diphenyloxalamide derivative","CrystEngComm","2019","21","10","1543","","10.1039/C8CE02163E","","","0.71073","MoKα","","0.0413","0.0369","","","0.0984","0.1021","","","","","","1.068","","","","has coordinates","223479","2020-10-21","18:00:00",""
"7232322","4.9806","0.0004","11.5051","0.0008","14.8528","0.0012","68.367","0.005","80.383","0.004","78.374","0.004","770.89","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H10 F6 N2 O2 -","- C16 H10 F6 N2 O2 -","- C32 H20 F12 N4 O4 -","2","1","","Bhandary, Subhrajyoti; Panini, Piyush; Chopra, Deepak","Evaluating the importance of fractional Z′ polymorphs in a trifluoromethylated N,N′-diphenyloxalamide derivative","CrystEngComm","2019","21","10","1543","","10.1039/C8CE02163E","","","0.71073","MoKα","","0.0843","0.0501","","","0.1071","0.1217","","","","","","1.018","","","","has coordinates","223479","2020-10-21","18:00:00",""
"7232323","7.672","0.0011","9.7977","0.0013","9.9187","0.0013","90","","90.011","0.005","90","","745.57","0.18","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H19 N3 O3 S -","- C12 H19 N3 O3 S -","- C24 H38 N6 O6 S2 -","2","1","","Andleeb, Hina; Khan, Imtiaz; Franconetti, Antonio; Tahir, Muhammad Nawaz; Simpson, Jim; Hameed, Shahid; Frontera, Antonio","Diverse structural assemblies of U-shaped hydrazinyl-sulfonamides: experimental and theoretical analysis of non-covalent interactions stabilizing solid state conformations","CrystEngComm","2019","21","11","1780","","10.1039/C8CE01917G","","","0.71073","MoKα","","0.04","0.0347","","","0.0915","0.0952","","","","","","1.05","","","","has coordinates","223721","2020-10-21","18:00:00",""
"7232324","10.3216","0.0009","6.6441","0.0005","12.054","0.0011","90","","105.426","0.004","90","","796.86","0.12","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H21 N3 O3 S -","- C13 H21 N3 O3 S -","- C26 H42 N6 O6 S2 -","2","1","","Andleeb, Hina; Khan, Imtiaz; Franconetti, Antonio; Tahir, Muhammad Nawaz; Simpson, Jim; Hameed, Shahid; Frontera, Antonio","Diverse structural assemblies of U-shaped hydrazinyl-sulfonamides: experimental and theoretical analysis of non-covalent interactions stabilizing solid state conformations","CrystEngComm","2019","21","11","1780","","10.1039/C8CE01917G","","","0.71073","MoKα","","0.0336","0.0306","","","0.0793","0.0817","","","","","","1.034","","","","has coordinates","223721","2020-10-21","18:00:00",""
"7232325","10.4333","0.0007","6.8279","0.0004","11.1774","0.0007","90","","113.332","0.004","90","","731.14","0.08","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H19 N3 O4 S -","- C12 H19 N3 O4 S -","- C24 H38 N6 O8 S2 -","2","1","","Andleeb, Hina; Khan, Imtiaz; Franconetti, Antonio; Tahir, Muhammad Nawaz; Simpson, Jim; Hameed, Shahid; Frontera, Antonio","Diverse structural assemblies of U-shaped hydrazinyl-sulfonamides: experimental and theoretical analysis of non-covalent interactions stabilizing solid state conformations","CrystEngComm","2019","21","11","1780","","10.1039/C8CE01917G","","","0.71073","MoKα","","0.0389","0.0327","","","0.0727","0.0762","","","","","","1.031","","","","has coordinates","223721","2020-10-21","18:00:00",""
"7232326","10.4296","0.0006","6.7642","0.0003","11.2829","0.0006","90","","113.623","0.003","90","","729.28","0.07","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C11 H16 Cl N3 O3 S -","- C11 H16 Cl N3 O3 S -","- C22 H32 Cl2 N6 O6 S2 -","2","1","","Andleeb, Hina; Khan, Imtiaz; Franconetti, Antonio; Tahir, Muhammad Nawaz; Simpson, Jim; Hameed, Shahid; Frontera, Antonio","Diverse structural assemblies of U-shaped hydrazinyl-sulfonamides: experimental and theoretical analysis of non-covalent interactions stabilizing solid state conformations","CrystEngComm","2019","21","11","1780","","10.1039/C8CE01917G","","","0.71073","MoKα","","0.0416","0.0355","","","0.0923","0.0978","","","","","","1.057","","","","has coordinates","223721","2020-10-21","18:00:00",""
"7232327","10.085","0.0005","6.6661","0.0003","18.9899","0.0009","90","","104.813","0.003","90","","1234.22","0.1","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C9 H12 Cl N3 O3 S -","- C9 H12 Cl N3 O3 S -","- C36 H48 Cl4 N12 O12 S4 -","4","2","","Andleeb, Hina; Khan, Imtiaz; Franconetti, Antonio; Tahir, Muhammad Nawaz; Simpson, Jim; Hameed, Shahid; Frontera, Antonio","Diverse structural assemblies of U-shaped hydrazinyl-sulfonamides: experimental and theoretical analysis of non-covalent interactions stabilizing solid state conformations","CrystEngComm","2019","21","11","1780","","10.1039/C8CE01917G","","","0.71073","MoKα","","0.0407","0.0352","","","0.0878","0.0915","","","","","","1.05","","","","has coordinates","223721","2020-10-21","18:00:00",""
"7232328","10.4081","0.0004","5.8338","0.0002","13.2672","0.0005","90","","107.035","0.004","90","","770.22","0.05","150.2","0.3","150.2","0.3","","","","","","","","5","P 1 21 1","P 2yb","4","","4-bromo-2-methylanilinium 3,5-dinitrobenzoate","","- C14 H12 Br N3 O6 -","- C14 H12 Br N3 O6 -","- C28 H24 Br2 N6 O12 -","2","1","","Jones, Charlotte L.; Skelton, Jonathan M.; Parker, Stephen C.; Raithby, Paul R.; Walsh, Aron; Wilson, Chick C.; Thomas, Lynne H.","Living in the salt-cocrystal continuum: indecisive organic complexes with thermochromic behaviour","CrystEngComm","2019","21","10","1626","","10.1039/C8CE02066C","","","0.71073","MoKα","","0.0488","0.0385","","","0.0565","0.0613","","","","","","1.033","","","","has coordinates","223478","2020-10-21","18:00:00",""
"7232329","10.2583","0.0006","5.8537","0.0003","13.2818","0.0009","90","","106.933","0.007","90","","762.98","0.08","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","4-chloro-2-methylanilinium 3,5-dinitrobenzoate","","- C14 H12 Cl N3 O6 -","- C14 H12 Cl N3 O6 -","- C28 H24 Cl2 N6 O12 -","2","1","","Jones, Charlotte L.; Skelton, Jonathan M.; Parker, Stephen C.; Raithby, Paul R.; Walsh, Aron; Wilson, Chick C.; Thomas, Lynne H.","Living in the salt-cocrystal continuum: indecisive organic complexes with thermochromic behaviour","CrystEngComm","2019","21","10","1626","","10.1039/C8CE02066C","","","0.71073","MoKα","","0.0589","0.0431","","","0.0707","0.0785","","","","","","1.044","","","","has coordinates","223478","2020-10-21","18:00:00",""
"7232330","7.2766","0.0003","7.3862","0.0003","14.2883","0.0005","99.348","0.003","103.715","0.004","90.271","0.003","735.39","0.05","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","4-iodoaniline 3,5-dinitrobenzoic acid","","- C13 H10 I N3 O6 -","- C13 H10 I N3 O6 -","- C26 H20 I2 N6 O12 -","2","1","","Jones, Charlotte L.; Skelton, Jonathan M.; Parker, Stephen C.; Raithby, Paul R.; Walsh, Aron; Wilson, Chick C.; Thomas, Lynne H.","Living in the salt-cocrystal continuum: indecisive organic complexes with thermochromic behaviour","CrystEngComm","2019","21","10","1626","","10.1039/C8CE02066C","","","0.71073","MoKα","","0.0633","0.046","","","0.1018","0.1099","","","","","","1.081","","","","has coordinates","223478","2020-10-21","18:00:00",""
"7232331","6.7588","0.0001","12.0929","0.0002","36.4619","0.0005","90","","90","","90","","2980.16","0.08","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-iodoanilinium 3,5-dinitrobenzoate","","- C13 H10 I N3 O6 -","- C13 H10 I N3 O6 -","- C104 H80 I8 N24 O48 -","8","2","","Jones, Charlotte L.; Skelton, Jonathan M.; Parker, Stephen C.; Raithby, Paul R.; Walsh, Aron; Wilson, Chick C.; Thomas, Lynne H.","Living in the salt-cocrystal continuum: indecisive organic complexes with thermochromic behaviour","CrystEngComm","2019","21","10","1626","","10.1039/C8CE02066C","","","0.71073","MoKα","","0.0213","0.0205","","","0.0472","0.0476","","","","","","1.071","","","","has coordinates","223478","2020-10-21","18:00:00",""
"7232332","7.1802","0.0004","7.242","0.0004","14.7292","0.0006","87.048","0.004","88.078","0.004","89.926","0.005","764.46","0.07","150.05","0.1","150.05","0.1","","","","","","","","5","P -1","-P 1","2","","4-bromo-2-methylaniline 3,5-dinitrobenzoic acid","","- C14 H12 Br N3 O6 -","- C14 H12 Br N3 O6 -","- C28 H24 Br2 N6 O12 -","2","1","","Jones, Charlotte L.; Skelton, Jonathan M.; Parker, Stephen C.; Raithby, Paul R.; Walsh, Aron; Wilson, Chick C.; Thomas, Lynne H.","Living in the salt-cocrystal continuum: indecisive organic complexes with thermochromic behaviour","CrystEngComm","2019","21","10","1626","","10.1039/C8CE02066C","","","0.71073","MoKα","","0.0766","0.049","","","0.0926","0.1058","","","","","","1.068","","","","has coordinates","223478","2020-10-21","18:00:00",""
"7232333","6.7937","0.0001","11.9574","0.0001","35.8729","0.0003","90","","90","","90","","2914.13","0.06","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-bromoanilinium 3,5-dinitrobenzoate","","- C13 H10 Br N3 O6 -","- C13 H10 Br N3 O6 -","- C104 H80 Br8 N24 O48 -","8","2","","Jones, Charlotte L.; Skelton, Jonathan M.; Parker, Stephen C.; Raithby, Paul R.; Walsh, Aron; Wilson, Chick C.; Thomas, Lynne H.","Living in the salt-cocrystal continuum: indecisive organic complexes with thermochromic behaviour","CrystEngComm","2019","21","10","1626","","10.1039/C8CE02066C","","","1.54184","CuKα","","0.0397","0.039","","","0.1056","0.1067","","","","","","1.044","","","","has coordinates","223478","2020-10-21","18:00:00",""
"7232334","7.3332","0.001","13.937","0.002","15.611","0.002","65.133","0.005","82.758","0.006","83.33","0.006","1432.5","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","4-bromoaniline 3,5-dinitrobenzoic acid","","- C13 H10 Br N3 O6 -","- C13 H10 Br N3 O6 -","- C52 H40 Br4 N12 O24 -","4","2","","Jones, Charlotte L.; Skelton, Jonathan M.; Parker, Stephen C.; Raithby, Paul R.; Walsh, Aron; Wilson, Chick C.; Thomas, Lynne H.","Living in the salt-cocrystal continuum: indecisive organic complexes with thermochromic behaviour","CrystEngComm","2019","21","10","1626","","10.1039/C8CE02066C","","","0.71075","MoKα","","0.0403","0.0324","","","0.0839","0.0879","","","","","","1.143","","","","has coordinates","223478","2020-10-21","18:00:00",""
"7232339","17.5291","0.0014","17.5291","0.0014","14.569","0.002","90","","90","","90","","4476.6","0.8","293","","293","","","","","","","","","5","P 43","P 4cw","78","","","","- C42 H42 Dy2 N6 O18 -","- C42 H30 Dy2 N6 O18 -","- C168 H120 Dy8 N24 O72 -","4","1","","You, Li-Xin; Xie, Shi-Yu; Xia, Cheng-Cai; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Dragutan, Ileana; Dragutan, Valerian; Fedin, Vladimir P.; Sun, Ya-Guang","Unprecedented homochiral 3D lanthanide coordination polymers with triple-stranded helical architecture constructed from a rigid achiral aryldicarboxylate ligand","CrystEngComm","2019","21","11","1758","","10.1039/C8CE01242C","","","0.71073","MoKα","","0.0407","0.0387","","","0.0967","0.0987","","","","","","1.074","","","","has coordinates","223722","2020-10-21","18:00:00",""
"7232340","17.5481","0.0011","17.5481","0.0011","14.5406","0.0011","90","","90","","90","","4477.6","0.5","293","","293","","","","","","","","","5","P 43","P 4cw","78","","","","- C42 H42 Eu2 N6 O18 -","- C42 H30 Eu2 N6 O18 -","- C168 H120 Eu8 N24 O72 -","4","1","","You, Li-Xin; Xie, Shi-Yu; Xia, Cheng-Cai; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Dragutan, Ileana; Dragutan, Valerian; Fedin, Vladimir P.; Sun, Ya-Guang","Unprecedented homochiral 3D lanthanide coordination polymers with triple-stranded helical architecture constructed from a rigid achiral aryldicarboxylate ligand","CrystEngComm","2019","21","11","1758","","10.1039/C8CE01242C","","","0.71075","MoKα","","0.0636","0.0572","","","0.1259","0.1318","","","","","","1.108","","","","has coordinates","223722","2020-10-21","18:00:00",""
"7232341","17.5494","0.0009","17.5494","0.0009","14.5562","0.001","90","","90","","90","","4483","0.4","293","","293","","","","","","","","","5","P 43","P 4cw","78","","","","- C42 H42 Gd2 N6 O18 -","- C42 H30 Gd2 N6 O18 -","- C168 H120 Gd8 N24 O72 -","4","1","","You, Li-Xin; Xie, Shi-Yu; Xia, Cheng-Cai; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Dragutan, Ileana; Dragutan, Valerian; Fedin, Vladimir P.; Sun, Ya-Guang","Unprecedented homochiral 3D lanthanide coordination polymers with triple-stranded helical architecture constructed from a rigid achiral aryldicarboxylate ligand","CrystEngComm","2019","21","11","1758","","10.1039/C8CE01242C","","","0.71075","MoKα","","0.0613","0.0547","","","0.1206","0.1271","","","","","","1.114","","","","has coordinates","223722","2020-10-21","18:00:00",""
"7232342","17.6414","0.0006","17.6414","0.0006","14.6038","0.0009","90","","90","","90","","4545","0.4","293","","293","","","","","","","","","5","P 43","P 4cw","78","","","","- C42 H42 N6 O18 Sm2 -","- C42 H30 N6 O18 Sm2 -","- C168 H120 N24 O72 Sm8 -","4","1","","You, Li-Xin; Xie, Shi-Yu; Xia, Cheng-Cai; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Dragutan, Ileana; Dragutan, Valerian; Fedin, Vladimir P.; Sun, Ya-Guang","Unprecedented homochiral 3D lanthanide coordination polymers with triple-stranded helical architecture constructed from a rigid achiral aryldicarboxylate ligand","CrystEngComm","2019","21","11","1758","","10.1039/C8CE01242C","","","0.71073","MoKα","","0.0425","0.0371","","","0.0761","0.0788","","","","","","1.096","","","","has coordinates","223722","2020-10-21","18:00:00",""
"7232343","17.4158","0.0006","17.4158","0.0006","14.4403","0.0009","90","","90","","90","","4379.9","0.3","293","","293","","","","","","","","","5","P 43","P 4cw","78","","","","- C42 H42 N6 O18 Yb2 -","- C42 H30 N6 O18 Yb2 -","- C168 H120 N24 O72 Yb8 -","4","1","","You, Li-Xin; Xie, Shi-Yu; Xia, Cheng-Cai; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Dragutan, Ileana; Dragutan, Valerian; Fedin, Vladimir P.; Sun, Ya-Guang","Unprecedented homochiral 3D lanthanide coordination polymers with triple-stranded helical architecture constructed from a rigid achiral aryldicarboxylate ligand","CrystEngComm","2019","21","11","1758","","10.1039/C8CE01242C","","","0.71073","MoKα","","0.0291","0.0282","","","0.0712","0.0724","","","","","","1.064","","","","has coordinates","223722","2020-10-21","18:00:00",""
"7232344","17.589","0.007","17.589","0.007","14.561","0.008","90","","90","","90","","4505","4","293","","293","","","","","","","","","5","P 43","P 4cw","78","","","","- C42 H42 Er2 N6 O18 -","- C42 H30 Er2 N6 O18 -","- C168 H120 Er8 N24 O72 -","4","1","","You, Li-Xin; Xie, Shi-Yu; Xia, Cheng-Cai; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Dragutan, Ileana; Dragutan, Valerian; Fedin, Vladimir P.; Sun, Ya-Guang","Unprecedented homochiral 3D lanthanide coordination polymers with triple-stranded helical architecture constructed from a rigid achiral aryldicarboxylate ligand","CrystEngComm","2019","21","11","1758","","10.1039/C8CE01242C","","","0.71073","MoKα","","0.0369","0.0337","","","0.0749","0.0768","","","","","","1.059","","","","has coordinates","223722","2020-10-21","18:00:00",""
"7232345","17.5565","0.0006","17.5565","0.0006","14.5448","0.0008","90","","90","","90","","4483.2","0.3","293","","293","","","","","","","","","5","P 43","P 4cw","78","","","","- C42 H42 N6 O18 Tb2 -","- C42 H30 N6 O18 Tb2 -","- C168 H120 N24 O72 Tb8 -","4","1","","You, Li-Xin; Xie, Shi-Yu; Xia, Cheng-Cai; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Dragutan, Ileana; Dragutan, Valerian; Fedin, Vladimir P.; Sun, Ya-Guang","Unprecedented homochiral 3D lanthanide coordination polymers with triple-stranded helical architecture constructed from a rigid achiral aryldicarboxylate ligand","CrystEngComm","2019","21","11","1758","","10.1039/C8CE01242C","","","0.71073","MoKα","","0.0353","0.0329","","","0.0775","0.079","","","","","","1.105","","","","has coordinates","223722","2020-10-21","18:00:00",""
"7232346","17.572","0.0006","17.572","0.0006","14.5303","0.0011","90","","90","","90","","4486.6","0.4","293","","293","","","","","","","","","5","P 43","P 4cw","78","","","","- C42 H42 Ho2 N6 O18 -","- C42 H30 Ho2 N6 O18 -","- C168 H120 Ho8 N24 O72 -","4","1","","You, Li-Xin; Xie, Shi-Yu; Xia, Cheng-Cai; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Dragutan, Ileana; Dragutan, Valerian; Fedin, Vladimir P.; Sun, Ya-Guang","Unprecedented homochiral 3D lanthanide coordination polymers with triple-stranded helical architecture constructed from a rigid achiral aryldicarboxylate ligand","CrystEngComm","2019","21","11","1758","","10.1039/C8CE01242C","","","0.71073","MoKα","","0.0338","0.0312","","","0.0707","0.072","","","","","","1.078","","","","has coordinates","223722","2020-10-21","18:00:00",""
"7232348","8.1083","0.0005","10.3884","0.0006","11.943","0.0008","108.394","0.0019","95.407","0.002","108.653","0.0014","882.88","0.1","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H28 Cu2 N12 O4 -","- C38 H28 Cu2 N12 O4 -","- C38 H28 Cu2 N12 O4 -","1","0.5","","Ishikawa, Ryuta; Ueno, Shunya; Hamatake, Yumi; Horii, Yoji; Miyazaki, Yuji; Nakano, Motohiro; Noda, Takeshi; Uematsu, Mikoto; Kawata, Satoshi","Versatile coordination architectures of products generated by the in situ reaction of a doubly bis(2-pyridyl)pyrazolate bridged dinuclear copper(ii) complex with tetracyanoethylene","CrystEngComm","2019","21","12","1886","","10.1039/C9CE00036D","","","0.71075","MoKα","","","0.0338","","","","0.0826","","","","","","1.094","","","","has coordinates","223731","2020-10-21","18:00:00",""
"7232349","23.2726","0.0012","9.8774","0.0004","15.2044","0.0007","90","","112.301","0.0015","90","","3233.6","0.3","200","","200","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H24 Cu2 N12 O4 -","- C36 H24 Cu2 N12 O4 -","- C144 H96 Cu8 N48 O16 -","4","0.5","","Ishikawa, Ryuta; Ueno, Shunya; Hamatake, Yumi; Horii, Yoji; Miyazaki, Yuji; Nakano, Motohiro; Noda, Takeshi; Uematsu, Mikoto; Kawata, Satoshi","Versatile coordination architectures of products generated by the in situ reaction of a doubly bis(2-pyridyl)pyrazolate bridged dinuclear copper(ii) complex with tetracyanoethylene","CrystEngComm","2019","21","12","1886","","10.1039/C9CE00036D","","","0.71075","MoKα","","0.0286","0.0262","","","0.0666","0.068","","","","","","1.083","","","","has coordinates","223731","2020-10-21","18:00:00",""
"7232350","10.989","0.003","28.1","0.006","11.059","0.003","90","","109.434","0.002","90","","3220.4","1.4","200","","200","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H36 Cu4 N28 O4 -","- C72 H36 Cu4 N28 O4 -","- C144 H72 Cu8 N56 O8 -","2","0.5","","Ishikawa, Ryuta; Ueno, Shunya; Hamatake, Yumi; Horii, Yoji; Miyazaki, Yuji; Nakano, Motohiro; Noda, Takeshi; Uematsu, Mikoto; Kawata, Satoshi","Versatile coordination architectures of products generated by the in situ reaction of a doubly bis(2-pyridyl)pyrazolate bridged dinuclear copper(ii) complex with tetracyanoethylene","CrystEngComm","2019","21","12","1886","","10.1039/C9CE00036D","","","0.71075","MoKα","","0.0429","0.0367","","","0.0892","0.093","","","","","","1.072","","","","has coordinates","223731","2020-10-21","18:00:00",""
"7232351","4.4893","0.0002","15.5665","0.0005","24.4653","0.0009","90","","92.894","0.002","90","","1707.52","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Benzo[c]cinnoline + 1,4-Tetrafluorobenzene","","- C18 H8 F4 I2 N2 -","- C18 H8 F4 I2 N2 -","- C72 H32 F16 I8 N8 -","4","1","","Bhowal, Rohit; Biswas, Suprakash; Adiyeri Saseendran, Devi Prasad; Koner, Apurba L.; Chopra, Deepak","Tuning the solid-state emission by co-crystallization through σ- and π-hole directed intermolecular interactions","CrystEngComm","2019","21","12","1940","","10.1039/C8CE02118J","","","0.71073","MoKα","","0.0497","0.0429","","","0.1074","0.1107","","","","","","1.109","","","","has coordinates","223733","2020-10-21","18:00:00",""
"7232352","11.57","0.0004","11.6762","0.0004","11.7522","0.0004","70.484","0.002","63.812","0.002","73.849","0.002","1326.69","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","9,9-Bis(4-aminophenyl)fluorene + 1,4-Diiodotetrafluorobenzene","9,9-Bis(4-aminophenyl)fluorene + 1,4-Diiodotetrafluorobenzene","","- C31 H20 F4 I2 N2 -","- C31 H20 F4 I2 N2 -","- C62 H40 F8 I4 N4 -","2","1","","Bhowal, Rohit; Biswas, Suprakash; Adiyeri Saseendran, Devi Prasad; Koner, Apurba L.; Chopra, Deepak","Tuning the solid-state emission by co-crystallization through σ- and π-hole directed intermolecular interactions","CrystEngComm","2019","21","12","1940","","10.1039/C8CE02118J","","","0.71073","MoKα","","0.0453","0.0337","","","0.0753","0.0795","","","","","","1.022","","","","has coordinates","223733","2020-10-21","18:00:00",""
"7232353","8.0795","0.0005","11.2522","0.0006","15.1999","0.0009","78.399","0.002","81.52","0.003","69.72","0.003","1265.16","0.13","296","","296","","","","","","","","","7","P -1","-P 1","2","","","","- C50 H44 Cl2 Cu2 F6 N8 O4 -","- C50 H44 Cl2 Cu2 F6 N8 O4 -","- C50 H44 Cl2 Cu2 F6 N8 O4 -","1","0.5","","Bhowal, Rohit; Biswas, Suprakash; Adiyeri Saseendran, Devi Prasad; Koner, Apurba L.; Chopra, Deepak","Tuning the solid-state emission by co-crystallization through σ- and π-hole directed intermolecular interactions","CrystEngComm","2019","21","12","1940","","10.1039/C8CE02118J","","","0.71073","MoKα","","0.066","0.0537","","","0.1273","0.1344","","","","","","1.091","","","","has coordinates","223733","2020-10-21","18:00:00",""
"7232354","13.9639","0.0005","9.2151","0.0003","28.0322","0.0009","90","","98.66","0.001","90","","3566","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Diphenylvinyl biphenyl + 1,4-Diiodotetrafluorobenzene","Diphenylvinyl biphenyl + 1,4-Diiodotetrafluorobenzene","","- C46 H30 F4 I2 -","- C46 H30 F4 I2 -","- C184 H120 F16 I8 -","4","1","","Bhowal, Rohit; Biswas, Suprakash; Adiyeri Saseendran, Devi Prasad; Koner, Apurba L.; Chopra, Deepak","Tuning the solid-state emission by co-crystallization through σ- and π-hole directed intermolecular interactions","CrystEngComm","2019","21","12","1940","","10.1039/C8CE02118J","","","0.71073","MoKα","","0.0367","0.0298","","","0.0642","0.067","","","","","","1.037","","","","has coordinates","223733","2020-10-21","18:00:00",""
"7232355","26.714","0.009","13.423","0.004","7.556","0.003","90","","97.82","0.02","90","","2684.2","1.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Benzocinnoline + 1,4-Diiodotetrafluorobenzene","Benzocinnoline + 1,4-Diiodotetrafluorobenzene","","- C30 H16 F4 I2 N4 -","- C30 H16 F4 I2 N4 -","- C120 H64 F16 I8 N16 -","4","1","","Bhowal, Rohit; Biswas, Suprakash; Adiyeri Saseendran, Devi Prasad; Koner, Apurba L.; Chopra, Deepak","Tuning the solid-state emission by co-crystallization through σ- and π-hole directed intermolecular interactions","CrystEngComm","2019","21","12","1940","","10.1039/C8CE02118J","","","0.71073","MoKα","","0.2393","0.0909","","","0.1611","0.2157","","","","","","0.994","","","","has coordinates","223733","2020-10-21","18:00:00",""
"7232356","9.3655","0.0004","11.0244","0.0004","13.431","0.0005","89.844","0.002","74.129","0.002","73.241","0.002","1272.85","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Biphenyl Fluorene + 1,4-Diiodotetrafluorobenzene","Biphenyl Fluorene + 1,4-Diiodotetrafluorobenzene","","- C32 H18 F4 I2 -","- C32 H18 F4 I2 -","- C64 H36 F8 I4 -","2","1","","Bhowal, Rohit; Biswas, Suprakash; Adiyeri Saseendran, Devi Prasad; Koner, Apurba L.; Chopra, Deepak","Tuning the solid-state emission by co-crystallization through σ- and π-hole directed intermolecular interactions","CrystEngComm","2019","21","12","1940","","10.1039/C8CE02118J","","","0.71073","MoKα","","0.038","0.0349","","","0.0804","0.082","","","","","","1.126","","","","has coordinates","223733","2020-10-21","18:00:00",""
"7232359","11.4279","0.0013","11.6213","0.0013","11.4696","0.0018","90","","108.424","0.013","90","","1445.2","0.3","287","18","287","18","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C14 H8 N5 O4 Zn -","- C14 H8 N5 O4 Zn -","- C56 H32 N20 O16 Zn4 -","4","0.5","","Zhang, Xiao; Zhuang, Xinrui; Zhang, Nanxi; Ge, Chunyu; Luo, Xuan; Li, Jinxue; Wu, Jie; Yang, Qingfeng; Liu, Rui","A luminescent sensor based on a Zn(ii) coordination polymer for selective and sensitive detection of NACs and Fe3+ ions","CrystEngComm","2019","21","12","1948","","10.1039/C9CE00068B","","x-ray","0.71073","MoKα","","0.0728","0.0693","","","0.1751","0.1785","","","","","","1.051","","","","has coordinates,has disorder","223729","2020-10-21","18:00:00",""
"7232360","26.001","0.003","26.001","0.003","6.8271","0.0009","90","","90","","120","","3997.1","0.8","173","2","173","2","","","","","","","","5","R -3","-R 3","148","","","","- C14 H16 N2 O8 Zn2 -","- C14 H16 N2 O8 Zn2 -","- C126 H144 N18 O72 Zn18 -","9","","","Henkelis, Susan Elizabeth; Vornholt, Simon Maximilian; Cordes, David Bradford; Slawin, Alexandra; Wheatley, Paul Stewart S.; Morris, Russell","A single crystal study of CPO-27 and UTSA-74 for nitric oxide storage and release","CrystEngComm","2019","","","","","10.1039/C9CE00098D","","","1.54187","CuKα","","0.0567","0.0477","","","0.1496","0.1578","","","","","","1.071","","","","has coordinates","213647","2020-10-21","18:00:00",""
"7232361","25.9434","0.0009","25.9434","0.0009","6.8189","0.0002","90","","90","","120","","3974.6","0.2","173","2","173","2","","","","","","","","4","R -3","-R 3","148","","","","- C8 H6 Mg2 O8 -","- C8 H6 Mg2 O8 -","- C72 H54 Mg18 O72 -","9","","","Henkelis, Susan Elizabeth; Vornholt, Simon Maximilian; Cordes, David Bradford; Slawin, Alexandra; Wheatley, Paul Stewart S.; Morris, Russell","A single crystal study of CPO-27 and UTSA-74 for nitric oxide storage and release","CrystEngComm","2019","","","","","10.1039/C9CE00098D","","","1.54184","CuKα","","0.074","0.0624","","","0.1823","0.1893","","","","","","1.134","","","","has coordinates","213647","2020-10-21","18:00:00",""
"7232362","22.931","0.008","22.931","0.008","15.931","0.006","90","","90","","120","","7255","5","93","2","93.15","","","","","","","","","4","R 3 c","R 3 -2""c","161","","","","- C8 H4 O7 Zn2 -","- C8 H3.578 O7 Zn2 -","- C144 H64.404 O126 Zn36 -","18","","","Henkelis, Susan Elizabeth; Vornholt, Simon Maximilian; Cordes, David Bradford; Slawin, Alexandra; Wheatley, Paul Stewart S.; Morris, Russell","A single crystal study of CPO-27 and UTSA-74 for nitric oxide storage and release","CrystEngComm","2019","","","","","10.1039/C9CE00098D","","","0.71075","MoKα","","0.0456","0.0426","","","0.136","0.1386","","","","","","1.181","","","","has coordinates,has disorder","213647","2020-10-21","18:00:00",""
"7232365","9.5897","0.0003","14.3802","0.0007","18.8257","0.0008","107.624","0.004","103.176","0.003","99.794","0.003","2327.76","0.19","120","0.1","120","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C30.88 H53 Br2.12 Eu F2.62 N3 O21.62 S0.88 -","- C30.874 H31 Br2.126 Eu F2.622 N3 O10.622 S0.874 -","- C61.748 H62 Br4.252 Eu2 F5.244 N6 O21.244 S1.748 -","2","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.055","0.0528","","","0.1478","0.1505","","","","","","1.078","","","","has coordinates,has disorder","223642","2020-10-21","18:00:00",""
"7232366","9.5721","0.0004","14.4092","0.0006","18.7321","0.0007","106.854","0.004","103.019","0.004","99.792","0.004","2331.09","0.19","120.01","0.1","120.01","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C30.68 H53 Br2.32 F2.06 N3 Nd O21.06 S0.69 -","- C30.686 H31 Br2.314 F2.058 N3 Nd O10.058 S0.686 -","- C61.372 H62 Br4.628 F4.116 N6 Nd2 O20.116 S1.372 -","2","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.0642","0.0612","","","0.1752","0.1788","","","","","","1.047","","","","has coordinates,has disorder","223642","2020-10-21","18:00:00",""
"7232367","11.1828","0.0006","13.1617","0.0005","13.3823","0.0007","103.662","0.004","114.054","0.005","106.336","0.004","1581.64","0.18","123.01","0.1","123.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C60 H67 Br5 N6 O16 -","- C60 H67 Br5 N6 O16 -","- C60 H67 Br5 N6 O16 -","1","0.5","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","0.71073","MoKα","","0.0539","0.0402","","","0.0869","0.0944","","","","","","1.024","","","","has coordinates,has disorder","223642","2020-10-21","18:00:00",""
"7232368","9.5251","0.0003","14.2183","0.0003","18.865","0.0007","107.596","0.003","102.916","0.003","99.489","0.002","2298.26","0.14","120","0.1","120","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C30.83 H53 Br2.17 F2.5 N3 O21.5 S0.83 Sm -","- C30.831 H31 Br2.169 F2.493 N3 O10.493 S0.831 Sm -","- C61.662 H62 Br4.338 F4.986 N6 O20.986 S1.662 Sm2 -","2","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.0643","0.0606","","","0.1672","0.1719","","","","","","1.06","","","","has coordinates,has disorder","223642","2020-10-21","18:00:00",""
"7232369","9.528","0.0004","14.3123","0.0006","18.861","0.0008","107.797","0.004","103.227","0.004","99.461","0.003","2306.55","0.19","120.01","0.1","120.01","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C31 H51 Br2 F3 Gd N3 O21 S -","- C31 H31 Br2 F3 Gd N3 O11 S -","- C62 H62 Br4 F6 Gd2 N6 O22 S2 -","2","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.0724","0.0686","","","0.193","0.1984","","","","","","1.055","","","","has coordinates,has disorder","223642","2020-10-21","18:00:00",""
"7232370","18.7334","0.0004","25.659","0.0005","9.82867","0.00019","90","","102.696","0.002","90","","4608.93","0.16","120.01","0.1","120.01","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C31.61 H47 Br1.39 F4.84 N3 O20.84 S1.61 Sm -","- C31.611 H31 Br1.389 F4.833 N3 O12.833 S1.611 Sm -","- C126.444 H124 Br5.556 F19.332 N12 O51.332 S6.444 Sm4 -","4","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.0589","0.0529","","","0.1453","0.1502","","","","","","1.061","","","","has coordinates,has disorder","223642","2020-10-21","18:00:00",""
"7232371","9.1533","0.0009","14.3573","0.0013","18.8779","0.0016","107.505","0.008","103.919","0.008","96.822","0.008","2247","0.4","120.01","0.1","120.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C32 H56 Br2 N3 Nd O21 -","- C32 H34 Br2 N3 Nd O10 -","- C64 H68 Br4 N6 Nd2 O20 -","2","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.0498","0.043","","","0.1097","0.1163","","","","","","1.038","","","","has coordinates","223642","2020-10-21","18:00:00",""
"7232372","18.7643","0.0002","25.6962","0.0003","9.85675","0.00012","90","","102.856","0.0012","90","","4633.51","0.1","120.01","0.1","120.01","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C31.65 H43 Br1.35 F4.94 N3 Nd O19.29 S1.65 -","- C31.647 H31 Br1.353 F4.941 N3 Nd O13.294 S1.647 -","- C126.588 H124 Br5.412 F19.764 N12 Nd4 O53.176 S6.588 -","4","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.0552","0.0464","","","0.1295","0.1363","","","","","","1.068","","","","has coordinates,has disorder","223642","2020-10-21","18:00:00",""
"7232373","9.5114","0.0004","14.2612","0.0006","18.8972","0.0006","108.079","0.004","103.298","0.003","99.25","0.004","2295.55","0.18","120","0.1","120","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C31 H49 Br2 F3 N3 O20 S Tb -","- C31 H31 Br2 F3 N3 O11 S Tb -","- C62 H62 Br4 F6 N6 O22 S2 Tb2 -","2","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.0721","0.0688","","","0.1859","0.1887","","","","","","1.049","","","","has coordinates,has disorder","223642","2020-10-21","18:00:00",""
"7232374","9.2767","0.0003","13.0591","0.0005","18.3855","0.0008","107.284","0.004","98.961","0.003","94.147","0.003","2084.11","0.15","120","0.1","120","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C30 H45 Br3 N3 O15 Yb -","- C30 H31 Br3 N3 O9 Yb -","- C60 H62 Br6 N6 O18 Yb2 -","2","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.0372","0.0327","","","0.0847","0.0879","","","","","","1.034","","","","has coordinates,has disorder","223642","2020-10-21","18:00:00",""
"7232375","9.6013","0.0003","14.3577","0.0003","18.7825","0.0005","106.592","0.002","102.854","0.002","99.256","0.002","2348.43","0.12","120.01","0.1","120.01","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C30.76 H51 Br2.24 F2.3 La N3 O20.3 S0.76 -","- C30.766 H31 Br2.234 F2.298 La N3 O10.298 S0.766 -","- C61.532 H62 Br4.468 F4.596 La2 N6 O20.596 S1.532 -","2","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.06","0.0574","","","0.1614","0.1649","","","","","","1.035","","","","has coordinates,has disorder","223642","2020-10-21","18:00:00",""
"7232376","10.0256","0.0003","14.2571","0.0004","18.5311","0.0005","109.018","0.003","105.086","0.003","95.287","0.002","2372.01","0.14","120.01","0.1","120.01","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C32.9 H41 Br0.1 F8.7 N3 O21.7 S2.9 Yb -","- C32.9 H31 Br0.1 F8.7 N3 O16.7 S2.9 Yb -","- C65.8 H62 Br0.2 F17.4 N6 O33.4 S5.8 Yb2 -","2","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.0913","0.0822","","","0.2401","0.2745","","","","","","1.184","","","","has coordinates,has disorder","223642","2020-10-21","18:00:00",""
"7232377","9.4378","0.0003","12.3546","0.0003","18.881","0.0004","104.683","0.002","98.809","0.002","99.428","0.002","2056.69","0.1","120.01","0.1","120.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C30 H45 Br3 N3 Nd O15 -","- C30 H31 Br3 N3 Nd O8 -","- C60 H62 Br6 N6 Nd2 O16 -","2","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.0463","0.0449","","","0.1163","0.1179","","","","","","1.038","","","","has coordinates","223642","2020-10-21","18:00:00",""
"7232378","9.6393","0.0004","12.2016","0.0006","19.0185","0.0007","105.771","0.004","99.826","0.003","99.967","0.004","2063.48","0.17","120.01","0.1","120.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C30 H45 La N6 O24 -","- C30 H31 La N6 O17 -","- C60 H62 La2 N12 O34 -","2","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.0736","0.0671","","","0.1801","0.1883","","","","","","1.087","","","","has coordinates,has disorder","223642","2020-10-21","18:00:00",""
"7232379","9.4141","0.0003","12.0776","0.0003","18.7454","0.0005","105.103","0.002","98.057","0.002","99.489","0.002","1991.7","0.1","120.01","0.1","120.01","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C31 H31 Br2 F3 N3 Nd O11 S -","- C31 H31 Br2 F3 N3 Nd O11 S -","- C62 H62 Br4 F6 N6 Nd2 O22 S2 -","2","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.0378","0.0367","","","0.0944","0.0952","","","","","","1.05","","","","has coordinates,has disorder","223642","2020-10-21","18:00:00",""
"7232380","18.5943","0.0002","25.8101","0.0004","9.772","0.00013","90","","102.343","0.0013","90","","4581.38","0.11","123","0.1","123","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C31.58 H47 Br1.42 F4.73 N3 O21.15 S1.58 Tb -","- C31.577 H31 Br1.423 F4.731 N3 O13.154 S1.577 Tb -","- C126.308 H124 Br5.692 F18.924 N12 O52.616 S6.308 Tb4 -","4","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.0637","0.0571","","","0.1567","0.1651","","","","","","1.04","","","","has coordinates,has disorder","223642","2020-10-21","18:00:00",""
"7232381","18.6774","0.0006","25.6718","0.0007","9.756","0.0003","90","","102.421","0.003","90","","4568.3","0.2","123","0.1","123","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C31.55 H43 Br1.45 Eu F4.64 N3 O19.1 S1.55 -","- C31.548 H31 Br1.452 Eu F4.644 N3 O13.096 S1.548 -","- C126.192 H124 Br5.808 Eu4 F18.576 N12 O52.384 S6.192 -","4","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.0987","0.0835","","","0.2359","0.2492","","","","","","1.08","","","","has coordinates,has disorder","223642","2020-10-21","18:00:00",""
"7232382","10.1269","0.0003","14.2176","0.0004","34.2981","0.0006","89.1178","0.0019","87.111","0.002","87.308","0.003","4926.1","0.2","123","0.1","123","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C65.9 H86 Br0.1 F17.7 N6 O47.45 S5.9 Sm2 -","- C65.9 H62 Br0.1 F17.7 N6 O35.45 S5.9 Sm2 -","- C131.8 H124 Br0.2 F35.4 N12 O70.9 S11.8 Sm4 -","2","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.0845","0.0694","","","0.176","0.1891","","","","","","1.022","","","","has coordinates,has disorder","223642","2020-10-21","18:00:00",""
"7232383","9.5796","0.0003","12.0095","0.0007","18.6284","0.0005","104.551","0.004","98.841","0.003","102.169","0.004","1978.82","0.16","120.01","0.1","120.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C30 H41 N6 O22 Y -","- C30 H31 N6 O17 Y -","- C60 H62 N12 O34 Y2 -","2","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.0593","0.0551","","","0.1496","0.1527","","","","","","1.109","","","","has coordinates","223642","2020-10-21","18:00:00",""
"7232384","8.7309","0.0009","12.2707","0.0011","19.3079","0.0011","106.661","0.007","100.429","0.007","91.716","0.008","1941.6","0.3","120.01","0.1","120.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C32 H44 Br2 N3 Nd O15 -","- C32 H44 Br2 N3 Nd O15 -","- C64 H88 Br4 N6 Nd2 O30 -","2","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.0272","0.0251","","","0.0589","0.06","","","","","","1.007","","","","has coordinates","223642","2020-10-21","18:00:00",""
"7232385","9.5948","0.0006","12.3229","0.0009","18.8983","0.0013","106.033","0.006","99.619","0.006","99.928","0.006","2060.3","0.3","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C30 H43 N6 Nd O23 -","- C30 H31 N6 Nd O18.001 -","- C60 H62 N12 Nd2 O36.002 -","2","1","","Tiihonen, Antti; Lahtinen, Manu","In-depth structural analysis of lanthanoid coordination networks based on a flexible tripodal zwitterionic isonicotinate ligand","CrystEngComm","2019","21","14","2286","","10.1039/C8CE01015C","","x-ray","1.54184","CuKα","","0.0415","0.0401","","","0.1081","0.1098","","","","","","1.03","","","","has coordinates,has disorder","223642","2020-10-21","18:00:00",""
"7232386","9.1863","0.0006","16.2887","0.0012","17.375","0.0014","90","","99.022","0.007","90","","2567.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H29.5 N5.5 O6 Zn -","- C23 H29.5 N5.5 O6 Zn -","- C92 H118 N22 O24 Zn4 -","4","1","","Xu, Cungang; Bi, Caifeng; Zhu, Zheng; Luo, Rong; Zhang, Xia; Zhang, Dongmei; Fan, Chuanbin; Cui, Liansheng; Fan, Yuhua","Metal‒organic frameworks with 5,5′-(1,4-xylylenediamino) diisophthalic acid and various nitrogen-containing ligands for selectively sensing Fe(iii)/Cr(vi) and nitroaromatic compounds","CrystEngComm","2019","21","14","2333","","10.1039/C9CE00005D","","","0.71073","MoKα","","0.0621","0.055","","","0.1416","0.1467","","","","","","1.156","","","","has coordinates,has disorder","223645","2020-10-21","18:00:00",""
"7232387","9.7202","0.0006","23.5966","0.0013","12.3749","0.0007","90","","111.874","0.008","90","","2634","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H44 N10 O10 Zn2 -","- C60 H44 N10 O10 Zn2 -","- C120 H88 N20 O20 Zn4 -","2","0.5","","Xu, Cungang; Bi, Caifeng; Zhu, Zheng; Luo, Rong; Zhang, Xia; Zhang, Dongmei; Fan, Chuanbin; Cui, Liansheng; Fan, Yuhua","Metal‒organic frameworks with 5,5′-(1,4-xylylenediamino) diisophthalic acid and various nitrogen-containing ligands for selectively sensing Fe(iii)/Cr(vi) and nitroaromatic compounds","CrystEngComm","2019","21","14","2333","","10.1039/C9CE00005D","","","0.71073","MoKα","","0.1285","0.0612","","","0.1045","0.1222","","","","","","1.006","","","","has coordinates","223645","2020-10-21","18:00:00",""
"7232388","8.8216","0.0004","17.2271","0.0009","18.351","0.0009","90","","102.417","0.007","90","","2723.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H52 N10 O12 Zn2 -","- C52 H52 N10 O12 Zn2 -","- C104 H104 N20 O24 Zn4 -","2","0.5","","Xu, Cungang; Bi, Caifeng; Zhu, Zheng; Luo, Rong; Zhang, Xia; Zhang, Dongmei; Fan, Chuanbin; Cui, Liansheng; Fan, Yuhua","Metal‒organic frameworks with 5,5′-(1,4-xylylenediamino) diisophthalic acid and various nitrogen-containing ligands for selectively sensing Fe(iii)/Cr(vi) and nitroaromatic compounds","CrystEngComm","2019","21","14","2333","","10.1039/C9CE00005D","","","0.71073","MoKα","","0.1425","0.0785","","","0.153","0.1786","","","","","","1.079","","","","has coordinates","223645","2020-10-21","18:00:00",""
"7232389","9.1986","0.0007","24.7507","0.0016","12.266","0.0008","90","","111.586","0.008","90","","2596.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H21 N7 O6 Zn -","- C28 H21 N7 O6 Zn -","- C112 H84 N28 O24 Zn4 -","4","1","","Xu, Cungang; Bi, Caifeng; Zhu, Zheng; Luo, Rong; Zhang, Xia; Zhang, Dongmei; Fan, Chuanbin; Cui, Liansheng; Fan, Yuhua","Metal‒organic frameworks with 5,5′-(1,4-xylylenediamino) diisophthalic acid and various nitrogen-containing ligands for selectively sensing Fe(iii)/Cr(vi) and nitroaromatic compounds","CrystEngComm","2019","21","14","2333","","10.1039/C9CE00005D","","","0.71073","MoKα","","0.0392","0.031","","","0.0741","0.0773","","","","","","1.018","","","","has coordinates","223645","2020-10-21","18:00:00",""
"7232391","7.0839","0.0003","10.8648","0.0006","10.9553","0.0006","90.615","0.005","94.232","0.004","107.982","0.005","799.3","0.07","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 Cl N3 O3 -","- C16 H18 Cl N3 O3 -","- C32 H36 Cl2 N6 O6 -","2","1","","Das, Dhiraj; Roy Choudhury, Angshuman","Water-assisted ground state intra-molecular proton transfer in 2,5-dihydroxy-substituted azobenzenes: experimental and computational studies","CrystEngComm","2019","21","14","2373","","10.1039/C8CE01878B","","x-ray","0.71073","MoKα","","0.0546","0.0487","","","0.1276","0.1368","","","","","","1.099","","","","has coordinates","223646","2020-10-21","18:00:00",""
"7232392","11.8236","0.0006","8.6618","0.0003","12.0259","0.0006","90","","113.493","0.006","90","","1129.53","0.1","100","0.2","100","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H9 N3 O4 -","- C12 H9 N3 O4 -","- C48 H36 N12 O16 -","4","1","","Das, Dhiraj; Roy Choudhury, Angshuman","Water-assisted ground state intra-molecular proton transfer in 2,5-dihydroxy-substituted azobenzenes: experimental and computational studies","CrystEngComm","2019","21","14","2373","","10.1039/C8CE01878B","","x-ray","0.71073","MoKα","","0.04","0.0363","","","0.0946","0.0983","","","","","","1.077","","","","has coordinates","223646","2020-10-21","18:00:00",""
"7232393","7.0323","0.0003","8.6204","0.0004","13.7182","0.0006","105.738","0.002","94.77","0.002","103.82","0.002","767.47","0.06","100","0.2","100","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H16 N4 O3 -","- C16 H16 N4 O3 -","- C32 H32 N8 O6 -","2","1","","Das, Dhiraj; Roy Choudhury, Angshuman","Water-assisted ground state intra-molecular proton transfer in 2,5-dihydroxy-substituted azobenzenes: experimental and computational studies","CrystEngComm","2019","21","14","2373","","10.1039/C8CE01878B","","","0.71073","MoKα","","0.0372","0.0324","","","0.0903","0.102","","","","","","1.099","","","","has coordinates","223646","2020-10-21","18:00:00",""
"7232394","3.9393","0.0001","13.8586","0.0004","21.9545","0.0007","90","","93.737","0.003","90","","1196.02","0.06","100","0.2","100","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 Br N2 O3 -","- C12 H11 Br N2 O3 -","- C48 H44 Br4 N8 O12 -","4","1","","Das, Dhiraj; Roy Choudhury, Angshuman","Water-assisted ground state intra-molecular proton transfer in 2,5-dihydroxy-substituted azobenzenes: experimental and computational studies","CrystEngComm","2019","21","14","2373","","10.1039/C8CE01878B","","x-ray","0.71073","MoKα","","0.0365","0.0309","","","0.0715","0.0761","","","","","","1.101","","","","has coordinates","223646","2020-10-21","18:00:00",""
"7232395","3.9592","0.0002","13.8353","0.0007","22.1033","0.0011","90","","93.241","0.005","90","","1208.81","0.11","298","0.2","298","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 Cl N2 O3 -","- C12 H11 Cl N2 O3 -","- C48 H44 Cl4 N8 O12 -","4","1","","Das, Dhiraj; Roy Choudhury, Angshuman","Water-assisted ground state intra-molecular proton transfer in 2,5-dihydroxy-substituted azobenzenes: experimental and computational studies","CrystEngComm","2019","21","14","2373","","10.1039/C8CE01878B","","x-ray","0.71073","MoKα","","0.0757","0.058","","","0.1605","0.1889","","","","","","1.027","","","","has coordinates","223646","2020-10-21","18:00:00",""
"7232396","10.0695","0.0011","4.478","0.0005","23.887","0.003","90","","92.333","0.003","90","","1076.2","0.2","100","0.2","100","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 N3 O2 -","- C13 H9 N3 O2 -","- C52 H36 N12 O8 -","4","1","","Das, Dhiraj; Roy Choudhury, Angshuman","Water-assisted ground state intra-molecular proton transfer in 2,5-dihydroxy-substituted azobenzenes: experimental and computational studies","CrystEngComm","2019","21","14","2373","","10.1039/C8CE01878B","","","0.71073","MoKα","","0.0782","0.051","","","0.1367","0.1544","","","","","","1.087","","","","has coordinates","223646","2020-10-21","18:00:00",""
"7232397","8.455","0.003","9.0629","0.0013","9.75","0.02","90","","90.82","0.09","90","","747","1.6","293","2","293","2","","","101.325","","","","","2","P 1 21 1","P 2yb","4","2,4,6-tricyano-1,3,5-triazine","1,3,5-triazine-2,4,6-tricarbonitrile","","- C6 N6 -","- C6 N6 -","- C24 N24 -","4","2","","Fanetti, Samuele; Nobrega, Marcelo M.; Dziubek, Kamil; Citroni, Margherita; Sella, Andrea; McMillan, Paul F.; Hanfland, Michael; Bini, Roberto","Structure and reactivity of 2,4,6-tricyano-1,3,5-triazine under high-pressure conditions","CrystEngComm","2019","21","30","4493","","10.1039/C8CE02154F","","","0.41112","synchrotron","","0.0682","0.0493","","","0.1218","0.1554","","","","","","1.165","","","","has coordinates","223670","2020-10-21","18:00:00",""
"7232398","8.2704","0.0011","8.9463","0.0009","9.698","0.016","90","","90.54","0.04","90","","717.5","1.2","293","2","293","2","","","140000","","","","","2","P 1 21 1","P 2yb","4","2,4,6-tricyano-1,3,5-triazine","1,3,5-triazine-2,4,6-tricarbonitrile","","- C6 N6 -","- C6 N6 -","- C24 N24 -","4","2","","Fanetti, Samuele; Nobrega, Marcelo M.; Dziubek, Kamil; Citroni, Margherita; Sella, Andrea; McMillan, Paul F.; Hanfland, Michael; Bini, Roberto","Structure and reactivity of 2,4,6-tricyano-1,3,5-triazine under high-pressure conditions","CrystEngComm","2019","21","30","4493","","10.1039/C8CE02154F","","","0.41112","synchrotron","","0.1003","0.0777","","","0.1946","0.2365","","","","","","1.094","","","","has coordinates","223670","2020-10-21","18:00:00",""
"7232399","7.8573","0.0004","8.5876","0.0004","9.533","0.005","90","","90.103","0.011","90","","643.2","0.3","293","2","293","2","","","1375000","","","","","2","P 1 21 1","P 2yb","4","2,4,6-tricyano-1,3,5-triazine","1,3,5-triazine-2,4,6-tricarbonitrile","","- C6 N6 -","- C6 N6 -","- C24 N24 -","4","2","","Fanetti, Samuele; Nobrega, Marcelo M.; Dziubek, Kamil; Citroni, Margherita; Sella, Andrea; McMillan, Paul F.; Hanfland, Michael; Bini, Roberto","Structure and reactivity of 2,4,6-tricyano-1,3,5-triazine under high-pressure conditions","CrystEngComm","2019","21","30","4493","","10.1039/C8CE02154F","","","0.41112","synchrotron","","0.0615","0.0496","","","0.1095","0.1211","","","","","","1.112","","","","has coordinates","223670","2020-10-21","18:00:00",""
"7232400","8.1489","0.0007","8.8529","0.0005","9.679","0.01","90","","90.55","0.02","90","","698.2","0.7","293","2","293","2","","","350000","","","","","2","P 1 21 1","P 2yb","4","2,4,6-tricyano-1,3,5-triazine","1,3,5-triazine-2,4,6-tricarbonitrile","","- C6 N6 -","- C6 N6 -","- C24 N24 -","4","2","","Fanetti, Samuele; Nobrega, Marcelo M.; Dziubek, Kamil; Citroni, Margherita; Sella, Andrea; McMillan, Paul F.; Hanfland, Michael; Bini, Roberto","Structure and reactivity of 2,4,6-tricyano-1,3,5-triazine under high-pressure conditions","CrystEngComm","2019","21","30","4493","","10.1039/C8CE02154F","","","0.41112","synchrotron","","0.0751","0.0575","","","0.1487","0.1706","","","","","","1.102","","","","has coordinates","223670","2020-10-21","18:00:00",""
"7232401","7.78108","0.00018","8.47624","0.00015","9.491","0.002","90","","89.76","0.006","90","","625.97","0.13","293","2","293","2","","","1985000","","","","","2","P 1 21 1","P 2yb","4","2,4,6-tricyano-1,3,5-triazine","1,3,5-triazine-2,4,6-tricarbonitrile","","- C6 N6 -","- C6 N6 -","- C24 N24 -","4","2","","Fanetti, Samuele; Nobrega, Marcelo M.; Dziubek, Kamil; Citroni, Margherita; Sella, Andrea; McMillan, Paul F.; Hanfland, Michael; Bini, Roberto","Structure and reactivity of 2,4,6-tricyano-1,3,5-triazine under high-pressure conditions","CrystEngComm","2019","21","30","4493","","10.1039/C8CE02154F","","","0.41112","synchrotron","","0.0744","0.0635","","","0.1762","0.1966","","","","","","0.995","","","","has coordinates","223670","2020-10-21","18:00:00",""
"7232402","7.75291","0.00015","8.41359","0.00013","9.4554","0.0019","90","","89.589","0.005","90","","616.76","0.12","293","2","293","2","","","2375000","","","","","2","P 1 21 1","P 2yb","4","2,4,6-tricyano-1,3,5-triazine","1,3,5-triazine-2,4,6-tricarbonitrile","","- C6 N6 -","- C6 N6 -","- C24 N24 -","4","2","","Fanetti, Samuele; Nobrega, Marcelo M.; Dziubek, Kamil; Citroni, Margherita; Sella, Andrea; McMillan, Paul F.; Hanfland, Michael; Bini, Roberto","Structure and reactivity of 2,4,6-tricyano-1,3,5-triazine under high-pressure conditions","CrystEngComm","2019","21","30","4493","","10.1039/C8CE02154F","","","0.41112","synchrotron","","0.0782","0.0667","","","0.1763","0.1972","","","","","","1.15","","","","has coordinates","223670","2020-10-21","18:00:00",""
"7232403","6.6822","0.0005","8.4144","0.0004","10.572","0.006","90","","90","","90","","594.4","0.3","293","2","293","2","","","2510000","","","","","2","P 21 21 21","P 2ac 2ab","19","2,4,6-tricyano-1,3,5-triazine","1,3,5-triazine-2,4,6-tricarbonitrile","","- C6 N6 -","- C6 N6 -","- C24 N24 -","4","1","","Fanetti, Samuele; Nobrega, Marcelo M.; Dziubek, Kamil; Citroni, Margherita; Sella, Andrea; McMillan, Paul F.; Hanfland, Michael; Bini, Roberto","Structure and reactivity of 2,4,6-tricyano-1,3,5-triazine under high-pressure conditions","CrystEngComm","2019","21","30","4493","","10.1039/C8CE02154F","","","0.41112","synchrotron","","0.0998","0.067","","","0.1892","0.2263","","","","","","1.102","","","","has coordinates","223670","2020-10-21","18:00:00",""
"7232404","6.528","0.0002","8.351","0.0003","10.604","0.004","90","","90","","90","","578.1","0.2","293","2","293","2","","","3065000","","","","","2","P 21 21 21","P 2ac 2ab","19","2,4,6-tricyano-1,3,5-triazine","1,3,5-triazine-2,4,6-tricarbonitrile","","- C6 N6 -","- C6 N6 -","- C24 N24 -","4","1","","Fanetti, Samuele; Nobrega, Marcelo M.; Dziubek, Kamil; Citroni, Margherita; Sella, Andrea; McMillan, Paul F.; Hanfland, Michael; Bini, Roberto","Structure and reactivity of 2,4,6-tricyano-1,3,5-triazine under high-pressure conditions","CrystEngComm","2019","21","30","4493","","10.1039/C8CE02154F","","","0.41112","synchrotron","","0.0529","0.0456","","","0.1161","0.1268","","","","","","1.134","","","","has coordinates","223670","2020-10-21","18:00:00",""
"7232405","6.6082","0.0004","8.3753","0.0004","10.595","0.006","90","","90","","90","","586.4","0.3","293","2","293","2","","","2780000","","","","","2","P 21 21 21","P 2ac 2ab","19","2,4,6-tricyano-1,3,5-triazine","1,3,5-triazine-2,4,6-tricarbonitrile","","- C6 N6 -","- C6 N6 -","- C24 N24 -","4","1","","Fanetti, Samuele; Nobrega, Marcelo M.; Dziubek, Kamil; Citroni, Margherita; Sella, Andrea; McMillan, Paul F.; Hanfland, Michael; Bini, Roberto","Structure and reactivity of 2,4,6-tricyano-1,3,5-triazine under high-pressure conditions","CrystEngComm","2019","21","30","4493","","10.1039/C8CE02154F","","","0.41112","synchrotron","","0.0572","0.0519","","","0.1398","0.1494","","","","","","1.13","","","","has coordinates","223670","2020-10-21","18:00:00",""
"7232406","7.8138","0.0002","8.5286","0.0002","9.499","0.004","90","","89.91","0.008","90","","633","0.3","293","2","293","2","","","1700000","","","","","2","P 1 21 1","P 2yb","4","2,4,6-tricyano-1,3,5-triazine","1,3,5-triazine-2,4,6-tricarbonitrile","","- C6 N6 -","- C6 N6 -","- C24 N24 -","4","2","","Fanetti, Samuele; Nobrega, Marcelo M.; Dziubek, Kamil; Citroni, Margherita; Sella, Andrea; McMillan, Paul F.; Hanfland, Michael; Bini, Roberto","Structure and reactivity of 2,4,6-tricyano-1,3,5-triazine under high-pressure conditions","CrystEngComm","2019","21","30","4493","","10.1039/C8CE02154F","","","0.41112","synchrotron","","0.0717","0.0522","","","0.1297","0.1533","","","","","","1.09","","","","has coordinates","223670","2020-10-21","18:00:00",""
"7232407","8.0397","0.0002","8.7626","0.0002","9.644","0.003","90","","90.266","0.007","90","","679.4","0.2","293","2","293","2","","","625000","","","","","2","P 1 21 1","P 2yb","4","2,4,6-tricyano-1,3,5-triazine","1,3,5-triazine-2,4,6-tricarbonitrile","","- C6 N6 -","- C6 N6 -","- C24 N24 -","4","2","","Fanetti, Samuele; Nobrega, Marcelo M.; Dziubek, Kamil; Citroni, Margherita; Sella, Andrea; McMillan, Paul F.; Hanfland, Michael; Bini, Roberto","Structure and reactivity of 2,4,6-tricyano-1,3,5-triazine under high-pressure conditions","CrystEngComm","2019","21","30","4493","","10.1039/C8CE02154F","","","0.41112","synchrotron","","0.1025","0.0781","","","0.2111","0.2579","","","","","","1.086","","","","has coordinates","223670","2020-10-21","18:00:00",""
"7232408","13.5987","0.0004","24.837","0.0006","17.1946","0.0005","90","","92.056","0.003","90","","5803.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H48 N4 O11 Zn2 -","- C68 H48 N4 O11 Zn2 -","- C272 H192 N16 O44 Zn8 -","4","1","","Bommakanti, Suresh; Das, Samar K.","A quantitative transmetalation with a metal organic framework compound in a solid‒liquid interface reaction: synthesis, structure, kinetics, spectroscopy and electrochemistry","CrystEngComm","2019","21","14","2438","","10.1039/C9CE00021F","","","0.71073","MoKα","","0.1085","0.0573","","","0.1246","0.1418","","","","","","1.091","","","","has coordinates","223643","2020-10-21","18:00:00",""
"7232409","13.5686","0.0004","24.9419","0.0007","17.0814","0.0006","90","","91.796","0.003","90","","5778","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H48 Cu2 N4 O11 -","- C68 H48 Cu2 N4 O11 -","- C272 H192 Cu8 N16 O44 -","4","1","","Bommakanti, Suresh; Das, Samar K.","A quantitative transmetalation with a metal organic framework compound in a solid‒liquid interface reaction: synthesis, structure, kinetics, spectroscopy and electrochemistry","CrystEngComm","2019","21","14","2438","","10.1039/C9CE00021F","","","0.71073","MoKα","","0.1343","0.0617","","","0.1338","0.1562","","","","","","1.034","","","","has coordinates","223643","2020-10-21","18:00:00",""
"7232410","16.174","0.002","16.174","0.002","16.357","0.003","90","","90","","90","","4279","1.1","100","2","100","2","","","","","","","","5","I 41","I 4bw","80","","Compound 3","","- C24 H12 Cu N O5 -","- C24 H12 Cu N O5 -","- C192 H96 Cu8 N8 O40 -","8","1","","Bommakanti, Suresh; Das, Samar K.","A quantitative transmetalation with a metal organic framework compound in a solid‒liquid interface reaction: synthesis, structure, kinetics, spectroscopy and electrochemistry","CrystEngComm","2019","21","14","2438","","10.1039/C9CE00021F","","","0.71073","MoKα","","0.074","0.0621","","","0.1465","0.153","","","","","","1.045","","","","has coordinates","223643","2020-10-21","18:00:00",""
"7232411","8.7777","0.001","11.1568","0.0015","21.241","0.003","90","","96.632","0.004","90","","2066.2","0.5","150","","150","","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H6 I N S2 -","- C9 H6 I N S2 -","- C72 H48 I8 N8 S16 -","8","1","","Le Gal, Yann; Colas, Adrien; Barrière, Frédéric; Dorcet, Vincent; Roisnel, Thierry; Lorcy, Dominique","Halogen and chalcogen-bonding interactions in sulphur-rich π-electron acceptors","CrystEngComm","2019","21","12","1934","","10.1039/C8CE02046A","","x-ray","0.71073","MoKα","","0.0336","0.0307","","","0.0974","0.1095","","","","","","1.101","","","","has coordinates","223734","2020-10-21","18:00:00",""
"7232412","4.1078","0.0007","24.675","0.005","13.943","0.003","90","","118.785","0.007","90","","1238.6","0.4","150","","150","","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H4 I N O S4 -","- C10 H4 I N O S4 -","- C40 H16 I4 N4 O4 S16 -","4","1","","Le Gal, Yann; Colas, Adrien; Barrière, Frédéric; Dorcet, Vincent; Roisnel, Thierry; Lorcy, Dominique","Halogen and chalcogen-bonding interactions in sulphur-rich π-electron acceptors","CrystEngComm","2019","21","12","1934","","10.1039/C8CE02046A","","x-ray","0.71073","MoKα","","0.1094","0.0758","","","0.1622","0.1758","","","","","","1.042","","","","has coordinates","223734","2020-10-21","18:00:00",""
"7232413","12.526","0.0018","14.352","0.002","14.522","0.002","117.141","0.004","95.478","0.005","100.638","0.005","2234.6","0.6","150","","150","","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C18 H8 I2 N2 S6 -","- C18 H8 I2 N2 S6 -","- C72 H32 I8 N8 S24 -","4","2","","Le Gal, Yann; Colas, Adrien; Barrière, Frédéric; Dorcet, Vincent; Roisnel, Thierry; Lorcy, Dominique","Halogen and chalcogen-bonding interactions in sulphur-rich π-electron acceptors","CrystEngComm","2019","21","12","1934","","10.1039/C8CE02046A","","x-ray","0.71073","MoKα","","0.1793","0.116","","","0.3164","0.3626","","","","","","1.079","","","","has coordinates","223734","2020-10-21","18:00:00",""
"7232414","8.1394","0.0007","6.9798","0.0007","22.487","0.002","90","","94.788","0.003","90","","1273.1","0.2","150","","150","","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H4 I N O S4 -","- C10 H4 I N O S4 -","- C40 H16 I4 N4 O4 S16 -","4","1","","Le Gal, Yann; Colas, Adrien; Barrière, Frédéric; Dorcet, Vincent; Roisnel, Thierry; Lorcy, Dominique","Halogen and chalcogen-bonding interactions in sulphur-rich π-electron acceptors","CrystEngComm","2019","21","12","1934","","10.1039/C8CE02046A","","x-ray","0.71073","MoKα","","0.0337","0.0306","","","0.0814","0.0834","","","","","","1.054","","","","has coordinates","223734","2020-10-21","18:00:00",""
"7232415","12.96","0.005","19.166","0.005","20.622","0.005","77.511","0.005","75.913","0.005","83.394","0.005","4840","3","293","2","293","2","","","","","","","","10","P -1","-P 1","2","","","","- C0 H0 Cs9 K9 Mn Na0 Nb12 O199 Si4 W36 -","- Cs9 K9 Mn Nb12 O199 Si4 W36 -","- Cs9 K9 Mn Nb12 O199 Si4 W36 -","1","0.5","","Wu, Hai-Yang; Huang, Min; Qin, Chao; Wang, Xin-Long; Hu, Hai; Huang, Peng; Su, Zhong-Min","Self-assembly and Li-ion storage performance of three new Nb/W mixed-addendum polyoxometalates based on the {SiNb3W9O40} clusters and transition-metal cations","CrystEngComm","2019","21","12","1862","","10.1039/C8CE01626G","","","0.71069","MoKα","","0.1159","0.0664","","","0.1665","0.1906","","","","","","1.023","","","","has coordinates","223732","2020-10-21","18:00:00",""
"7232416","13.01","0.005","19.204","0.005","20.756","0.005","77.307","0.005","75.046","0.005","83.226","0.005","4877","3","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C0 H0 Cs14 K4 Nb12 Ni O199 Si4 W36 -","- Cs14 K4 Nb12 Ni O199 Si4 W36 -","- Cs14 K4 Nb12 Ni O199 Si4 W36 -","1","0.5","","Wu, Hai-Yang; Huang, Min; Qin, Chao; Wang, Xin-Long; Hu, Hai; Huang, Peng; Su, Zhong-Min","Self-assembly and Li-ion storage performance of three new Nb/W mixed-addendum polyoxometalates based on the {SiNb3W9O40} clusters and transition-metal cations","CrystEngComm","2019","21","12","1862","","10.1039/C8CE01626G","","","0.71069","MoKα","","0.1371","0.0917","","","0.2492","0.2897","","","","","","1.056","","","","has coordinates","223732","2020-10-21","18:00:00",""
"7232417","12.999","0.005","19.174","0.005","20.681","0.005","77.303","0.005","75.251","0.005","83.327","0.005","4853","3","293","2","293","2","","","","","","","","11","P -1","-P 1","2","","","","- C0 H0 Ca0 Co Cs11 K4 Na3 Nb12 O187 Si4 W36 -","- Co Cs11 K4 Na3 Nb12 O187 Si4 W36 -","- Co Cs11 K4 Na3 Nb12 O187 Si4 W36 -","1","0.5","","Wu, Hai-Yang; Huang, Min; Qin, Chao; Wang, Xin-Long; Hu, Hai; Huang, Peng; Su, Zhong-Min","Self-assembly and Li-ion storage performance of three new Nb/W mixed-addendum polyoxometalates based on the {SiNb3W9O40} clusters and transition-metal cations","CrystEngComm","2019","21","12","1862","","10.1039/C8CE01626G","","","0.71069","MoKα","","0.1152","0.0695","","","0.179","0.2085","","","","","","1.055","","","","has coordinates","223732","2020-10-21","18:00:00",""
"7232418","3.7235","0.0002","23.3797","0.001","7.9055","0.0003","90","","96.548","0.004","90","","683.72","0.05","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 Cl2 Cu N4 O2 -","- C12 H12 Cl2 Cu N4 O2 -","- C24 H24 Cl4 Cu2 N8 O4 -","2","0.5","","Hearne, Neil; Turnbull, Mark M.; Landee, Christopher P.; van der Merwe, Elizabet M.; Rademeyer, Melanie","Halide-bi-bridged polymers of amide substituted pyridines and -pyrazines: polymorphism, structures, thermal stability and magnetism","CrystEngComm","2019","21","12","1910","","10.1039/C9CE00071B","","x-ray","0.71073","MoKα","","0.0351","0.0324","","","0.09","0.0915","","","","","","1.067","","","","has coordinates","223730","2020-10-21","18:00:00",""
"7232419","24.171","0.004","3.7103","0.0005","32.824","0.005","90","","111.493","0.005","90","","2739","0.7","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 Cl2 Cu N4 O2 -","- C12 H12 Cl2 Cu N4 O2 -","- C96 H96 Cl16 Cu8 N32 O16 -","8","1","","Hearne, Neil; Turnbull, Mark M.; Landee, Christopher P.; van der Merwe, Elizabet M.; Rademeyer, Melanie","Halide-bi-bridged polymers of amide substituted pyridines and -pyrazines: polymorphism, structures, thermal stability and magnetism","CrystEngComm","2019","21","12","1910","","10.1039/C9CE00071B","","","0.71073","MoKα","","0.0742","0.0652","","","0.1799","0.1843","","","","","","1.102","","","","has coordinates","223730","2020-10-21","18:00:00",""
"7232420","3.8846","0.0007","23.76","0.005","7.9582","0.0013","90","","96.19","0.016","90","","730.2","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 Br2 Cu N4 O2 -","- C12 H12 Br2 Cu N4 O2 -","- C24 H24 Br4 Cu2 N8 O4 -","2","0.5","","Hearne, Neil; Turnbull, Mark M.; Landee, Christopher P.; van der Merwe, Elizabet M.; Rademeyer, Melanie","Halide-bi-bridged polymers of amide substituted pyridines and -pyrazines: polymorphism, structures, thermal stability and magnetism","CrystEngComm","2019","21","12","1910","","10.1039/C9CE00071B","","","0.71073","MoKα","","0.0609","0.0481","","","0.075","0.0779","","","","","","1.2","","","","has coordinates","223730","2020-10-21","18:00:00",""
"7232421","3.797","0.0007","6.8449","0.0014","13.71","0.003","104.357","0.006","90.019","0.008","92.757","0.006","344.77","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H10 Br2 Cu N6 O2 -","- C10 H10 Br2 Cu N6 O2 -","- C10 H10 Br2 Cu N6 O2 -","1","0.5","","Hearne, Neil; Turnbull, Mark M.; Landee, Christopher P.; van der Merwe, Elizabet M.; Rademeyer, Melanie","Halide-bi-bridged polymers of amide substituted pyridines and -pyrazines: polymorphism, structures, thermal stability and magnetism","CrystEngComm","2019","21","12","1910","","10.1039/C9CE00071B","","","0.71073","MoKα","","0.0504","0.0371","","","0.0668","0.0709","","","","","","1.03","","","","has coordinates","223730","2020-10-21","18:00:00",""
"7232423","3.661","0.0004","6.626","0.0007","13.7328","0.0015","76.315","0.003","89.743","0.003","85.572","0.003","322.67","0.06","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H10 Cl2 Cu N6 O2 -","- C10 H10 Cl2 Cu N6 O2 -","- C10 H10 Cl2 Cu N6 O2 -","1","0.5","","Hearne, Neil; Turnbull, Mark M.; Landee, Christopher P.; van der Merwe, Elizabet M.; Rademeyer, Melanie","Halide-bi-bridged polymers of amide substituted pyridines and -pyrazines: polymorphism, structures, thermal stability and magnetism","CrystEngComm","2019","21","12","1910","","10.1039/C9CE00071B","","","0.71073","MoKα","","0.0503","0.0422","","","0.1097","0.114","","","","","","1.083","","","","has coordinates","223730","2020-10-21","18:00:00",""
"7232424","3.9119","0.0007","13.828","0.002","13.5","0.002","90","","90.883","0.009","90","","730.2","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Br2 Cu N4 O2 -","- C12 H12 Br2 Cu N4 O2 -","- C24 H24 Br4 Cu2 N8 O4 -","2","0.5","","Hearne, Neil; Turnbull, Mark M.; Landee, Christopher P.; van der Merwe, Elizabet M.; Rademeyer, Melanie","Halide-bi-bridged polymers of amide substituted pyridines and -pyrazines: polymorphism, structures, thermal stability and magnetism","CrystEngComm","2019","21","12","1910","","10.1039/C9CE00071B","","","0.71073","MoKα","","0.1148","0.0692","","","0.1306","0.1445","","","","","","1.12","","","","has coordinates","223730","2020-10-21","18:00:00",""
"7232425","12.564","0.0003","4.80981","0.00007","15.8319","0.0003","90","","112.756","0.003","90","","882.26","0.04","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H30 N4 O4 -","- C12 H30 N4 O4 -","- C24 H60 N8 O8 -","2","1","","Gorla, Lingaraju; Martí-Centelles, Vicente; Altava, Belén; Burguete, M. Isabel; Luis, Santiago V.","The role of the side chain in the conformational and self-assembly patterns of C2-symmetric Val and Phe pseudopeptidic derivatives","CrystEngComm","2019","21","14","2398","","10.1039/C8CE02088D","","x-ray","1.54184","CuKα","","0.0542","0.0459","","","0.1216","0.1244","","","","","","1.078","","","","has coordinates","223650","2020-10-21","18:00:00",""
"7232426","4.84556","0.0001","20.5154","0.0005","21.945","0.0004","90","","90","","90","","2181.52","0.08","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H40 N4 O3 -","- C18 H40 N4 O3 -","- C72 H160 N16 O12 -","4","1","","Gorla, Lingaraju; Martí-Centelles, Vicente; Altava, Belén; Burguete, M. Isabel; Luis, Santiago V.","The role of the side chain in the conformational and self-assembly patterns of C2-symmetric Val and Phe pseudopeptidic derivatives","CrystEngComm","2019","21","14","2398","","10.1039/C8CE02088D","","x-ray","1.54184","CuKα","","0.0561","0.0507","","","0.123","0.1279","","","","","","1.042","","","","has coordinates","223650","2020-10-21","18:00:00",""
"7232427","26.1681","0.0006","4.81178","0.00018","16.5261","0.0005","90","","105.807","0.003","90","","2002.2","0.11","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C14 H35 N5 O4 -","- C14 H35 N5 O4 -","- C56 H140 N20 O16 -","4","1","","Gorla, Lingaraju; Martí-Centelles, Vicente; Altava, Belén; Burguete, M. Isabel; Luis, Santiago V.","The role of the side chain in the conformational and self-assembly patterns of C2-symmetric Val and Phe pseudopeptidic derivatives","CrystEngComm","2019","21","14","2398","","10.1039/C8CE02088D","","x-ray","1.54184","CuKα","","0.0592","0.0548","","","0.1514","0.1564","","","","","","1.077","","","","has coordinates","223650","2020-10-21","18:00:00",""
"7232428","25.636","0.0003","16.5436","0.0002","5.05085","0.00006","90","","90","","90","","2142.12","0.04","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C23 H32 N4 O2 -","- C23 H32 N4 O2 -","- C92 H128 N16 O8 -","4","1","","Gorla, Lingaraju; Martí-Centelles, Vicente; Altava, Belén; Burguete, M. Isabel; Luis, Santiago V.","The role of the side chain in the conformational and self-assembly patterns of C2-symmetric Val and Phe pseudopeptidic derivatives","CrystEngComm","2019","21","14","2398","","10.1039/C8CE02088D","","x-ray","1.54184","CuKα","","0.04","0.0385","","","0.103","0.1059","","","","","","1.033","","","","has coordinates","223650","2020-10-21","18:00:00",""
"7232429","20.4259","0.0004","4.79492","0.00009","21.6606","0.0005","90","","102.636","0.002","90","","2070.07","0.08","293","2","293","","","","","","","","","4","I 1 2 1","I 2y","5","","","","- C15 H31.56 N4 O2 -","- C15 H31.7 N4 O2 -","- C60 H126.8 N16 O8 -","4","1","","Gorla, Lingaraju; Martí-Centelles, Vicente; Altava, Belén; Burguete, M. Isabel; Luis, Santiago V.","The role of the side chain in the conformational and self-assembly patterns of C2-symmetric Val and Phe pseudopeptidic derivatives","CrystEngComm","2019","21","14","2398","","10.1039/C8CE02088D","","x-ray","1.54184","CuKα","","0.0639","0.0613","","","0.1717","0.1775","","","","","","1.039","","","","has coordinates,has disorder","223650","2020-10-21","18:00:00",""
"7232430","5.01883","0.00014","16.5007","0.0005","25.5451","0.0007","90","","90","","90","","2115.5","0.1","293","2","293","2","","","","","","","","4","P 2 21 21","P 2bc 2","18","","","","- C22 H31 N5 O2 -","- C22 H31 N5 O2 -","- C88 H124 N20 O8 -","4","1","","Gorla, Lingaraju; Martí-Centelles, Vicente; Altava, Belén; Burguete, M. Isabel; Luis, Santiago V.","The role of the side chain in the conformational and self-assembly patterns of C2-symmetric Val and Phe pseudopeptidic derivatives","CrystEngComm","2019","21","14","2398","","10.1039/C8CE02088D","","x-ray","1.54184","CuKα","","0.0451","0.0404","","","0.1084","0.1119","","","","","","1.036","","","","has coordinates","223650","2020-10-21","18:00:00",""
"7232433","12.6244","0.0003","15.2868","0.0004","38.1764","0.0008","90","","97.201","0.002","90","","7309.4","0.3","130","2","130","2","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C20 H18 F8 O10 Zn -","- C20 H18 F8 O10 Zn -","- C240 H216 F96 O120 Zn12 -","12","3","","Cheplakova, Anastasia M.; Kovalenko, Konstantin A.; Samsonenko, Denis G.; Vinogradov, Andrey S.; Karpov, Victor M.; Platonov, Vyacheslav E.; Fedin, Vladimir P.","Structural diversity of zinc(ii) coordination polymers with octafluorobiphenyl-4,4′-dicarboxylate based on mononuclear, paddle wheel and cuboidal units","CrystEngComm","2019","21","15","2524","","10.1039/C9CE00073A","","x-ray","0.71073","MoKα","","0.0393","0.0284","","","0.0709","0.0771","","","","","","1.044","","","","has coordinates","223682","2020-10-21","18:00:00",""
"7232434","19.7538","0.0004","10.54","0.0002","23.0099","0.0005","90","","90.091","0.002","90","","4790.77","0.17","130","2","130","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H12 F8 N2 O4 Zn -","- C24 H12 F8 N2 O4 Zn -","- C192 H96 F64 N16 O32 Zn8 -","8","1","","Cheplakova, Anastasia M.; Kovalenko, Konstantin A.; Samsonenko, Denis G.; Vinogradov, Andrey S.; Karpov, Victor M.; Platonov, Vyacheslav E.; Fedin, Vladimir P.","Structural diversity of zinc(ii) coordination polymers with octafluorobiphenyl-4,4′-dicarboxylate based on mononuclear, paddle wheel and cuboidal units","CrystEngComm","2019","21","15","2524","","10.1039/C9CE00073A","","x-ray","0.71073","MoKα","","0.032","0.0264","","","0.0628","0.0652","","","","","","1.047","","","","has coordinates","223682","2020-10-21","18:00:00",""
"7232435","10.2288","0.0005","15.2173","0.0007","15.2087","0.0006","90","","90","","90","","2367.31","0.18","130","2","130","2","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C40 H28 F16 O14 Zn2 -","- C40 H28 F16 O14 Zn2 -","- C80 H56 F32 O28 Zn4 -","2","0.25","","Cheplakova, Anastasia M.; Kovalenko, Konstantin A.; Samsonenko, Denis G.; Vinogradov, Andrey S.; Karpov, Victor M.; Platonov, Vyacheslav E.; Fedin, Vladimir P.","Structural diversity of zinc(ii) coordination polymers with octafluorobiphenyl-4,4′-dicarboxylate based on mononuclear, paddle wheel and cuboidal units","CrystEngComm","2019","21","15","2524","","10.1039/C9CE00073A","","x-ray","0.71073","MoKα","","0.0326","0.0314","","","0.077","0.0782","","","","","","1.034","","","","has coordinates,has disorder","223682","2020-10-21","18:00:00",""
"7232436","14.925","0.0012","5.4485","0.0004","27.4123","0.0015","90","","101.413","0.006","90","","2185.1","0.3","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 F8 N4 O5 Zn -","- C20 H12 F8 N4 O5 Zn -","- C80 H48 F32 N16 O20 Zn4 -","4","1","","Cheplakova, Anastasia M.; Kovalenko, Konstantin A.; Samsonenko, Denis G.; Vinogradov, Andrey S.; Karpov, Victor M.; Platonov, Vyacheslav E.; Fedin, Vladimir P.","Structural diversity of zinc(ii) coordination polymers with octafluorobiphenyl-4,4′-dicarboxylate based on mononuclear, paddle wheel and cuboidal units","CrystEngComm","2019","21","15","2524","","10.1039/C9CE00073A","","x-ray","0.71073","MoKα","","0.0886","0.073","","","0.2119","0.2278","","","","","","1.05","","","","has coordinates","223682","2020-10-21","18:00:00",""
"7232437","13.3346","0.0004","15.4645","0.0004","10.9486","0.0003","90","","94.46","0.003","90","","2250.91","0.11","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 F8 O8 Zn -","- C19 H16 F8 O8 Zn -","- C76 H64 F32 O32 Zn4 -","4","1","","Cheplakova, Anastasia M.; Kovalenko, Konstantin A.; Samsonenko, Denis G.; Vinogradov, Andrey S.; Karpov, Victor M.; Platonov, Vyacheslav E.; Fedin, Vladimir P.","Structural diversity of zinc(ii) coordination polymers with octafluorobiphenyl-4,4′-dicarboxylate based on mononuclear, paddle wheel and cuboidal units","CrystEngComm","2019","21","15","2524","","10.1039/C9CE00073A","","x-ray","0.71073","MoKα","","0.0416","0.0307","","","0.0684","0.0732","","","","","","1.044","","","","has coordinates,has disorder","223682","2020-10-21","18:00:00",""
"7232438","17.6709","0.0004","18.1755","0.0007","17.705","0.0004","90","","91.349","0.002","90","","5684.9","0.3","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C84 H106 F32 O45 Zn8 -","- C71 H52 F32 O32 Zn8 -","- C142 H104 F64 O64 Zn16 -","2","1","","Cheplakova, Anastasia M.; Kovalenko, Konstantin A.; Samsonenko, Denis G.; Vinogradov, Andrey S.; Karpov, Victor M.; Platonov, Vyacheslav E.; Fedin, Vladimir P.","Structural diversity of zinc(ii) coordination polymers with octafluorobiphenyl-4,4′-dicarboxylate based on mononuclear, paddle wheel and cuboidal units","CrystEngComm","2019","21","15","2524","","10.1039/C9CE00073A","","x-ray","0.71073","MoKα","","0.0702","0.067","","","0.1851","0.1882","","","","","","1.032","","","","has coordinates,has disorder","223682","2020-10-21","18:00:00",""
"7232439","10.474","0.0005","17.8233","0.0009","11.7087","0.0005","90","","107.009","0.0013","90","","2090.18","0.17","173","2","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H44 N2 O12 Zn3 -","- C40 H44 N2 O12 Zn3 -","- C80 H88 N4 O24 Zn6 -","2","1","","Liu, Meiying; Yu, Haiyang; Liu, Zhiliang","A pair of homochiral trinuclear Zn(ii) clusters exhibiting unusual ferroelectric behaviour at high temperature","CrystEngComm","2019","21","14","2355","","10.1039/C9CE00034H","","","0.71073","MoKα","","0.0621","0.06","","","0.1833","0.186","","","","","","1.059","","","","has coordinates","223649","2020-10-21","18:00:00",""
"7232440","10.5958","0.0017","17.944","0.002","11.8027","0.0019","90","","107.323","0.006","90","","2142.3","0.5","293","2","293.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H44 N2 O12 Zn3 -","- C40 H44 N2 O12 Zn3 -","- C80 H88 N4 O24 Zn6 -","2","1","","Liu, Meiying; Yu, Haiyang; Liu, Zhiliang","A pair of homochiral trinuclear Zn(ii) clusters exhibiting unusual ferroelectric behaviour at high temperature","CrystEngComm","2019","21","14","2355","","10.1039/C9CE00034H","","","0.71073","MoKα","","0.0692","0.0658","","","0.1942","0.1991","","","","","","1.069","","","","has coordinates","223649","2020-10-21","18:00:00",""
"7232446","14.8436","0.0005","27.5747","0.0008","16.3246","0.0005","90","","90","","90","","6681.8","0.4","200","0.14","200","0.14","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C24 H16 N6 O4 Zn2 -","- C24 H16 N6 O4 Zn2 -","- C192 H128 N48 O32 Zn16 -","8","1","","Mo, Zong-Wen; Huang, Ning-Yu; Wang, Chao; Ye, Zi-Ming; Zhou, Hao-Long; Zhou, Dong-Dong; Lin, Rui-Biao; Chen, Xiao-Ming; Zhang, Jie-Peng","Single-side and double-side swing behaviours of a flexible porous coordination polymer with a rhombic-lattice structure","CrystEngComm","2019","21","12","1872","","10.1039/C9CE00227H","","x-ray","1.54184","CuKα","","0.0851","0.0656","","","0.1785","0.1919","","","","","","1.085","","","","has coordinates","223735","2020-10-21","18:00:00",""
"7232447","11.2067","0.0005","11.2671","0.0006","11.6106","0.0005","90","","104.136","0.004","90","","1421.64","0.12","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 N3 O2 Zn -","- C12 H8 N3 O2 Zn -","- C48 H32 N12 O8 Zn4 -","4","1","","Mo, Zong-Wen; Huang, Ning-Yu; Wang, Chao; Ye, Zi-Ming; Zhou, Hao-Long; Zhou, Dong-Dong; Lin, Rui-Biao; Chen, Xiao-Ming; Zhang, Jie-Peng","Single-side and double-side swing behaviours of a flexible porous coordination polymer with a rhombic-lattice structure","CrystEngComm","2019","21","12","1872","","10.1039/C9CE00227H","","x-ray","1.54184","CuKα","","0.0655","0.0463","","","0.119","0.1315","","","","","","1.031","","","","has coordinates","223735","2020-10-21","18:00:00",""
"7232448","13.5403","0.0003","14.7298","0.0003","16.54","0.0003","90","","90.2418","0.0018","90","","3298.81","0.12","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H16 N6 O4 Zn2 -","- C24 H16 N6 O4 Zn2 -","- C96 H64 N24 O16 Zn8 -","4","0.5","","Mo, Zong-Wen; Huang, Ning-Yu; Wang, Chao; Ye, Zi-Ming; Zhou, Hao-Long; Zhou, Dong-Dong; Lin, Rui-Biao; Chen, Xiao-Ming; Zhang, Jie-Peng","Single-side and double-side swing behaviours of a flexible porous coordination polymer with a rhombic-lattice structure","CrystEngComm","2019","21","12","1872","","10.1039/C9CE00227H","","x-ray","1.54184","CuKα","","0.039","0.0369","","","0.113","0.1149","","","","","","1.112","","","","has coordinates,has disorder","223735","2020-10-21","18:00:00",""
"7232449","8.2598","0.0006","13.977","0.0011","30.125","0.002","90","","90","","90","","3477.8","0.4","291","2","291","2","","","","","","","","5","P 2 2 21","P 2c 2","17","","","","- C61 H60 N16 O14 Zn2 -","- C61 H60 N16 O14 Zn2 -","- C122 H120 N32 O28 Zn4 -","2","0.5","","Yao, Xiao-Qiang; Xiao, Guo-Bin; Xie, Hua; Qin, Dong-Dong; Ma, Heng-Chang; Liu, Jia-Cheng; Yan, Pen-Ji","Two triphenylamine-based luminescent metal‒organic frameworks as a dual-functional sensor for the detection of nitroaromatic compounds and ofloxacin antibiotic","CrystEngComm","2019","21","15","2559","","10.1039/C8CE02122H","","","0.71073","MoKα","","0.0733","0.0597","","","0.1303","0.1336","","","","","","1.074","","","","has coordinates","223681","2020-10-21","18:00:00",""
"7232450","10.772","0.005","30.453","0.014","10.404","0.005","90","","102.632","0.007","90","","3330","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H31 N7 O7 Zn -","- C34 H31 N7 O7 Zn -","- C136 H124 N28 O28 Zn4 -","4","1","","Yao, Xiao-Qiang; Xiao, Guo-Bin; Xie, Hua; Qin, Dong-Dong; Ma, Heng-Chang; Liu, Jia-Cheng; Yan, Pen-Ji","Two triphenylamine-based luminescent metal‒organic frameworks as a dual-functional sensor for the detection of nitroaromatic compounds and ofloxacin antibiotic","CrystEngComm","2019","21","15","2559","","10.1039/C8CE02122H","","","0.71073","MoKα","","0.1108","0.071","","","0.1545","0.1646","","","","","","1.014","","","","has coordinates","223681","2020-10-21","18:00:00",""
"7232451","12.8262","0.0005","9.7712","0.0004","11.9065","0.0005","90","","94.822","0.001","90","","1486.93","0.1","99.96","","99.96","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Cu(en-N)(en-N,N')](NO3)2","(ethylenediamine-N)-bis(ethylenediamine-N,N')-copper(II) bis(nitrate)","","- C6 H24 Cu N8 O6 -","- C6 H24 Cu N8 O6 -","- C24 H96 Cu4 N32 O24 -","4","1","","Sharma, Jai; Jiang, Zhelong; Bhutani, Ankita; Behera, Piush; Shoemaker, Daniel P.","A unique copper coordination structure with both mono- and bi-dentate ethylenediamine ligands","CrystEngComm","2019","21","17","2718","","10.1039/C8CE02188K","","x-ray","0.71073","MoKα","","0.0235","0.0204","","","0.0477","0.0489","","","","","","1.092","","","","has coordinates","223584","2020-10-21","18:00:00",""
"7232452","11.9283","0.0006","6.5439","0.0003","6.8123","0.0003","90","","105.114","0.002","90","","513.36","0.04","173","2","173","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C10 H12 N4 O -","- C10 H12 N4 O -","- C20 H24 N8 O2 -","2","0.5","","Baudron, Stéphane A.; Chevreau, Hubert","Revisiting Ag‒π interactions with bis((pyrrol-2-yl)methylene)hydrazine: CC versus CN bond complexation","CrystEngComm","2019","21","12","1853","","10.1039/C9CE00168A","","","0.71073","MoKα","","0.0483","0.0437","","","0.1189","0.1223","","","","","","1.079","","","","has coordinates","223736","2020-10-21","18:00:00",""
"7232453","20.5483","0.0012","16.1886","0.001","4.8655","0.0002","90","","90","","90","","1618.5","0.15","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C11 H14 Ag2 N6 O7 -","- C11 H14 Ag2 N6 O7 -","- C44 H56 Ag8 N24 O28 -","4","0.5","","Baudron, Stéphane A.; Chevreau, Hubert","Revisiting Ag‒π interactions with bis((pyrrol-2-yl)methylene)hydrazine: CC versus CN bond complexation","CrystEngComm","2019","21","12","1853","","10.1039/C9CE00168A","","","0.71073","MoKα","","0.0318","0.025","","","0.0584","0.0626","","","","","","1.027","","","","has coordinates,has disorder","223736","2020-10-21","18:00:00",""
"7232454","6.1112","0.0003","9.566","0.0005","10.6221","0.0006","63.173","0.002","82.885","0.002","89.971","0.002","548.79","0.05","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H14 Ag2 F6 N4 O8 S2 -","- C12 H14 Ag2 F6 N4 O8 S2 -","- C12 H14 Ag2 F6 N4 O8 S2 -","1","0.5","","Baudron, Stéphane A.; Chevreau, Hubert","Revisiting Ag‒π interactions with bis((pyrrol-2-yl)methylene)hydrazine: CC versus CN bond complexation","CrystEngComm","2019","21","12","1853","","10.1039/C9CE00168A","","","0.71073","MoKα","","0.0211","0.0204","","","0.0477","0.048","","","","","","1.052","","","","has coordinates","223736","2020-10-21","18:00:00",""
"7232455","10.6098","0.0004","7.332","0.0003","16.7744","0.0007","90","","101.451","0.002","90","","1278.92","0.09","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Ag2 N4 O6 S2 -","- C24 H24 Ag2 N4 O6 S2 -","- C48 H48 Ag4 N8 O12 S4 -","2","0.5","","Baudron, Stéphane A.; Chevreau, Hubert","Revisiting Ag‒π interactions with bis((pyrrol-2-yl)methylene)hydrazine: CC versus CN bond complexation","CrystEngComm","2019","21","12","1853","","10.1039/C9CE00168A","","","0.71073","MoKα","","0.0642","0.0474","","","0.1134","0.1239","","","","","","1.05","","","","has coordinates","223736","2020-10-21","18:00:00",""
"7232456","13.5975","0.0007","13.8536","0.0007","19.2691","0.0009","90","","92.402","0.003","90","","3626.6","0.3","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C31 H32 Ag2 Cl2 F6 N12 Si -","- C31 H32 Ag2 Cl2 F6 N12 Si -","- C124 H128 Ag8 Cl8 F24 N48 Si4 -","4","0.5","","Baudron, Stéphane A.; Chevreau, Hubert","Revisiting Ag‒π interactions with bis((pyrrol-2-yl)methylene)hydrazine: CC versus CN bond complexation","CrystEngComm","2019","21","12","1853","","10.1039/C9CE00168A","","","0.71073","MoKα","","0.0791","0.0468","","","0.1132","0.1259","","","","","","1.048","","","","has coordinates","223736","2020-10-21","18:00:00",""
"7232457","9.8391","0.0004","6.9334","0.0003","10.9235","0.0005","90","","103.517","0.002","90","","724.54","0.05","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 Ag2 N6 O6 -","- C10 H10 Ag2 N6 O6 -","- C20 H20 Ag4 N12 O12 -","2","0.5","","Baudron, Stéphane A.; Chevreau, Hubert","Revisiting Ag‒π interactions with bis((pyrrol-2-yl)methylene)hydrazine: CC versus CN bond complexation","CrystEngComm","2019","21","12","1853","","10.1039/C9CE00168A","","","0.71073","MoKα","","0.0205","0.0194","","","0.0446","0.0454","","","","","","1.049","","","","has coordinates","223736","2020-10-21","18:00:00",""
"7232458","31.402","0.006","21.109","0.004","31.916","0.006","90","","112.57","0.03","90","","19536","8","100","2","100","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C122 H72 Co4 N16 O16 -","- C122 H72 Co4 N16 O16 -","- C488 H288 Co16 N64 O64 -","4","1","","Hua, Carol; D'Alessandro, Deanna M.","Electrochemical and spectroscopic properties of a cobalt framework with (3,7)-c topology","CrystEngComm","2019","21","14","2381","","10.1039/C9CE00050J","","","0.71073","Synchrotron","","0.0924","0.0751","","","0.2312","0.2443","","","","","","1.086","","","","has coordinates","223644","2020-10-21","18:00:00",""
"7232459","12.1508","0.0008","14.253","0.0008","14.6096","0.0015","109.838","0.002","105.079","0.002","105.393","0.002","2116.6","0.3","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C80 H104 Cd2 N10 O20 -","- C80 H104 Cd2 N10 O20 -","- C80 H104 Cd2 N10 O20 -","1","1","","Larpent, Patrick; Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: homochiral 1D and 2D cadmium based coordination networks","CrystEngComm","2019","21","15","2534","","10.1039/C9CE00113A","","","0.71073","MoKα","","0.0561","0.0354","","","0.0804","0.0887","","","","","","1.006","","","","has coordinates","223677","2020-10-21","18:00:00",""
"7232460","7.3028","0.0001","9.9693","0.0002","12.9323","0.0002","97.374","0.001","99.698","0.001","92.89","0.001","917.89","0.03","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C30 H44 Cd N4 O10 S2 -","- C30 H44 Cd N4 O10 S2 -","- C30 H44 Cd N4 O10 S2 -","1","1","","Larpent, Patrick; Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: homochiral 1D and 2D cadmium based coordination networks","CrystEngComm","2019","21","15","2534","","10.1039/C9CE00113A","","","0.71073","MoKα","","0.025","0.0241","","","0.0585","0.0591","","","","","","1.006","","","","has coordinates","223677","2020-10-21","18:00:00",""
"7232461","12.4212","0.0004","14.1095","0.0005","15.4139","0.0008","105.001","0.002","101.599","0.002","111.566","0.001","2290.95","0.17","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C86 H116 Cd2 N10 O20 -","- C86 H116 Cd2 N10 O20 -","- C86 H116 Cd2 N10 O20 -","1","1","","Larpent, Patrick; Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: homochiral 1D and 2D cadmium based coordination networks","CrystEngComm","2019","21","15","2534","","10.1039/C9CE00113A","","","0.71073","MoKα","","0.0724","0.0522","","","0.1275","0.1409","","","","","","0.994","","","","has coordinates","223677","2020-10-21","18:00:00",""
"7232462","7.4499","0.0003","9.9281","0.0004","12.0888","0.0005","88.806","0.001","72.724","0.001","84.926","0.001","850.43","0.06","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C28 H40 Cd N4 O10 S2 -","- C28 H40 Cd N4 O10 S2 -","- C28 H40 Cd N4 O10 S2 -","1","1","","Larpent, Patrick; Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: homochiral 1D and 2D cadmium based coordination networks","CrystEngComm","2019","21","15","2534","","10.1039/C9CE00113A","","","0.71073","MoKα","","0.0239","0.0231","","","0.0548","0.0552","","","","","","1.091","","","","has coordinates","223677","2020-10-21","18:00:00",""
"7232463","23.888","0.0006","14.0385","0.0003","9.7174","0.0003","90","","97.927","0.001","90","","3227.61","0.15","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C26 H36 Cd N4 O12 S2 -","- C26 H36 Cd N4 O12 S2 -","- C104 H144 Cd4 N16 O48 S8 -","4","1","","Larpent, Patrick; Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: homochiral 1D and 2D cadmium based coordination networks","CrystEngComm","2019","21","15","2534","","10.1039/C9CE00113A","","","0.71073","MoKα","","0.0675","0.0567","","","0.1532","0.1634","","","","","","1.069","","","","has coordinates","223677","2020-10-21","18:00:00",""
"7232464","9.5864","0.0001","12.4322","0.0002","15.9217","0.0002","69.205","0.001","72.478","0.001","73.295","0.001","1656.57","0.04","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C28 H38 Cd N6 O12 -","- C28 H38 Cd N6 O12 -","- C56 H76 Cd2 N12 O24 -","2","2","","Larpent, Patrick; Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: homochiral 1D and 2D cadmium based coordination networks","CrystEngComm","2019","21","15","2534","","10.1039/C9CE00113A","","","0.71073","MoKα","","0.0533","0.0467","","","0.1237","0.1304","","","","","","1.079","","","","has coordinates","223677","2020-10-21","18:00:00",""
"7232465","16.927","0.012","11.672","0.012","5.263","0.004","90","","107.16","0.01","90","","993.5","1.5","296","2","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Bi3 Fe Mo2 O12 -","- Bi3 Fe Mo2 O12 -","- Bi12 Fe4 Mo8 O48 -","4","0.5","","Li, Conggang; Gao, Zeliang; Tian, Xiangxin; Zhang, Junjie; Ju, Dianxing; Wu, Qian; Lu, Weiqun; Sun, Youxuan; Cui, Deliang; Tao, Xutang","Bulk crystal growth and characterization of the bismuth ferrite-based material Bi3FeO4(MoO4)2","CrystEngComm","2019","21","15","2508","","10.1039/C8CE02137F","","","0.71073","MoKα","","0.0584","0.0482","","","0.1203","0.1254","","","","","","1.018","","","","has coordinates","223678","2020-10-21","18:00:00",""
"7232469","12.28107","0.00012","25.8112","0.0003","11.74661","0.00012","90","","102.728","0.001","90","","3632.05","0.07","150","0.1","150","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H42 Ag5 F3 N1.5 O2 S4 -","- C26 H42 Ag5 F3 N1.5 O2 S4 -","- C104 H168 Ag20 F12 N6 O8 S16 -","4","1","","Wang, Jie; Li, Yan-Ling; Wang, Zhao-Yang; Zang, Shuang-Quan","A robust wave-like silver‒thiolate chain based metal‒organic network: synthesis, structure and luminescence","CrystEngComm","2019","21","14","2264","","10.1039/C9CE00054B","","x-ray","1.54184","CuKα","","0.0546","0.0518","","","0.1369","0.1389","","","","","","1.047","","","","has coordinates,has disorder","223647","2020-10-21","18:00:00",""
"7232470","23.393","0.01","9.538","0.004","15.832","0.007","90","","90","","90","","3532","3","203","2","203","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C34 H46 N4 O6 -","- C34 H46 N4 O6 -","- C136 H184 N16 O24 -","4","0.5","","Koppireddi, Satish; Liu, Chuan-Zhi; Wang, Hui; Zhang, Dan-Wei; Li, Zhan-Ting","Halogen and hydrogen bonding-driven self-assembly of supramolecular macrocycles and double helices from hydrogen-bonded arylamide foldamers","CrystEngComm","2019","21","16","2626","","10.1039/C8CE02187B","","","0.71073","MoKα","","0.1744","0.0866","","","0.2404","0.2946","","","","","","1.054","","","","has coordinates","223610","2020-10-21","18:00:00",""
"7232471","7.727","0.002","11.231","0.003","17.977","0.005","73.848","0.004","79.22","0.004","86.104","0.004","1471.8","0.7","203","2","203","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H24 F6 I2 N2 O4 -","- C28 H24 F6 I2 N2 O4 -","- C56 H48 F12 I4 N4 O8 -","2","1","","Koppireddi, Satish; Liu, Chuan-Zhi; Wang, Hui; Zhang, Dan-Wei; Li, Zhan-Ting","Halogen and hydrogen bonding-driven self-assembly of supramolecular macrocycles and double helices from hydrogen-bonded arylamide foldamers","CrystEngComm","2019","21","16","2626","","10.1039/C8CE02187B","","","0.71073","MoKα","","0.0533","0.0452","","","0.1425","0.1596","","","","","","1.045","","","","has coordinates","223610","2020-10-21","18:00:00",""
"7232472","9.613","0.0006","15.5774","0.001","16.88","0.0011","69.045","0.002","76.089","0.002","82.935","0.002","2289.4","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H50 F8 I2 N4 O7 -","- C39 H46 F8 I2 N4 O7 -","- C78 H92 F16 I4 N8 O14 -","2","1","","Koppireddi, Satish; Liu, Chuan-Zhi; Wang, Hui; Zhang, Dan-Wei; Li, Zhan-Ting","Halogen and hydrogen bonding-driven self-assembly of supramolecular macrocycles and double helices from hydrogen-bonded arylamide foldamers","CrystEngComm","2019","21","16","2626","","10.1039/C8CE02187B","","","1.34138","GaKα","","0.0656","0.0588","","","0.1639","0.1694","","","","","","1.071","","","","has coordinates,has disorder","223610","2020-10-21","18:00:00",""
"7232473","9.3189","0.0003","16.8147","0.0005","18.319","0.0006","116.249","0.001","96.238","0.001","100.841","0.001","2467.84","0.14","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C43 H46 F6 I3 N4 O6 -","- C43 H46 F6 I3 N4 O6 -","- C86 H92 F12 I6 N8 O12 -","2","1","","Koppireddi, Satish; Liu, Chuan-Zhi; Wang, Hui; Zhang, Dan-Wei; Li, Zhan-Ting","Halogen and hydrogen bonding-driven self-assembly of supramolecular macrocycles and double helices from hydrogen-bonded arylamide foldamers","CrystEngComm","2019","21","16","2626","","10.1039/C8CE02187B","","","0.71073","MoKα","","0.0514","0.0359","","","0.0827","0.0919","","","","","","1.032","","","","has coordinates","223610","2020-10-21","18:00:00",""
"7232474","8.6303","0.0002","14.1861","0.0004","31.0691","0.0009","90","","93.665","0.001","90","","3796.02","0.18","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H50 N4 O10 -","- C38 H50 N4 O10 -","- C152 H200 N16 O40 -","4","1","","Koppireddi, Satish; Liu, Chuan-Zhi; Wang, Hui; Zhang, Dan-Wei; Li, Zhan-Ting","Halogen and hydrogen bonding-driven self-assembly of supramolecular macrocycles and double helices from hydrogen-bonded arylamide foldamers","CrystEngComm","2019","21","16","2626","","10.1039/C8CE02187B","","","1.34138","GaKα","","0.0749","0.0634","","","0.1737","0.186","","","","","","1.034","","","","has coordinates","223610","2020-10-21","18:00:00",""
"7232475","43.58","0.009","41.907","0.008","12.364","0.002","90","","92.96","0.03","90","","22550","7","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","tris-silver-bis-N,N?,N?-tris(2-(pyridin-4-yl)ethyl)-1,3,5-benzenetricarboxamide triflate","","- C63 H60 Ag3 F9 N12 O15 S3 -","- C62 H60 Ag3 F6 N12 O12 S2 -","- C496 H480 Ag24 F48 N96 O96 S16 -","8","1","","Lee, Daseul; Kim, Dongwon; Lee, Haeri; Noh, Tae Hwan; Lee, Young-A; Jung, Ok-Sang","Adsorption of anthracene substitutes into suprachannels: bulk vs. included guests","CrystEngComm","2019","21","14","2303","","10.1039/C8CE02185F","","","0.75","synchrotron","","0.1514","0.1324","","","0.4096","0.4536","","","","","","1.99","","","","has coordinates,has disorder","223648","2020-10-21","18:00:00",""
"7232476","4.4942","0.0006","16.396","0.002","9.0283","0.0012","90","","89.977","0.007","90","","665.27","0.15","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H7 N O4 -","- C6 H7 N O4 -","- C24 H28 N4 O16 -","4","1","","Joseph, Abhinav; Rodrigues Alves, Joana S.; Bernardes, Carlos E. S.; Piedade, M. Fátima M.; Minas da Piedade, Manuel E.","Tautomer selection through solvate formation: the case of 5-hydroxynicotinic acid","CrystEngComm","2019","21","13","2220","","10.1039/C8CE02108B","","","0.71073","MoKα","","0.0826","0.0389","","","0.0672","0.0739","","","","","","0.761","","","","has coordinates","223631","2020-10-21","18:00:00",""
"7232477","5.2351","0.0003","22.4779","0.0013","8.4174","0.0005","90","","94.301","0.004","90","","987.72","0.1","167","2","167","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 N O4 S -","- C8 H11 N O4 S -","- C32 H44 N4 O16 S4 -","4","1","","Joseph, Abhinav; Rodrigues Alves, Joana S.; Bernardes, Carlos E. S.; Piedade, M. Fátima M.; Minas da Piedade, Manuel E.","Tautomer selection through solvate formation: the case of 5-hydroxynicotinic acid","CrystEngComm","2019","21","13","2220","","10.1039/C8CE02108B","","","0.71073","MoKα","","0.0681","0.0482","","","0.106","0.1126","","","","","","1.047","","","","has coordinates","223631","2020-10-21","18:00:00",""
"7232478","4.5039","0.0001","16.389","0.0006","8.8561","0.0003","90","","91.271","0.002","90","","653.55","0.04","167","2","167","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H7 N O4 -","- C6 H7 N O4 -","- C24 H28 N4 O16 -","4","1","","Joseph, Abhinav; Rodrigues Alves, Joana S.; Bernardes, Carlos E. S.; Piedade, M. Fátima M.; Minas da Piedade, Manuel E.","Tautomer selection through solvate formation: the case of 5-hydroxynicotinic acid","CrystEngComm","2019","21","13","2220","","10.1039/C8CE02108B","","","0.71069","MoKα","","0.0418","0.0328","","","0.0893","0.0934","","","","","","1.076","","","","has coordinates","223631","2020-10-21","18:00:00",""
"7232479","5.2638","0.0007","22.58","0.003","8.5353","0.0011","90","","93.269","0.007","90","","1012.8","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 N O4 S -","- C8 H11 N O4 S -","- C32 H44 N4 O16 S4 -","4","1","","Joseph, Abhinav; Rodrigues Alves, Joana S.; Bernardes, Carlos E. S.; Piedade, M. Fátima M.; Minas da Piedade, Manuel E.","Tautomer selection through solvate formation: the case of 5-hydroxynicotinic acid","CrystEngComm","2019","21","13","2220","","10.1039/C8CE02108B","","","0.71073","MoKα","","0.174","0.0742","","","0.2101","0.2378","","","","","","0.972","","","","has coordinates","223631","2020-10-21","18:00:00",""
"7232480","10.9713","0.0003","12.5068","0.0003","12.1087","0.0003","90","","90.476","0.001","90","","1661.45","0.07","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H13 Hg I2 N3 O2 -","- C12 H13 Hg I2 N3 O2 -","- C48 H52 Hg4 I8 N12 O8 -","4","1","","Nezhadali Baghan, Zahra; Salimi, Alireza; Eshtiagh-Hosseini, Hossein; Oliver, Allen G.","Hydrogen-bonded 3D network of d10-metal halide coordination polymer containing N-(3-pyridinyl) nicotinamide: influence of ligand conformation, halide anions and solvent","CrystEngComm","2019","21","16","2691","","10.1039/C9CE00107G","","","0.71073","MoKα","","0.0587","0.0552","","","0.1217","0.1229","","","","","","1.37","","","","has coordinates","223611","2020-10-21","18:00:00",""
"7232481","7.9879","0.0014","13.791","0.002","12.334","0.002","90","","93.939","0.002","90","","1355.5","0.4","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H9 Br2 Hg N3 O -","- C11 H9 Br2 Hg N3 O -","- C44 H36 Br8 Hg4 N12 O4 -","4","1","","Nezhadali Baghan, Zahra; Salimi, Alireza; Eshtiagh-Hosseini, Hossein; Oliver, Allen G.","Hydrogen-bonded 3D network of d10-metal halide coordination polymer containing N-(3-pyridinyl) nicotinamide: influence of ligand conformation, halide anions and solvent","CrystEngComm","2019","21","16","2691","","10.1039/C9CE00107G","","","0.71073","MoKα","","0.0846","0.0817","","","0.1776","0.1787","","","","","","1.421","","","","has coordinates","223611","2020-10-21","18:00:00",""
"7232482","7.9213","0.0006","13.4161","0.001","11.9553","0.0009","90","","95.349","0.002","90","","1264.99","0.16","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H9 Cl2 Hg N3 O -","- C11 H9 Cl2 Hg N3 O -","- C44 H36 Cl8 Hg4 N12 O4 -","4","1","","Nezhadali Baghan, Zahra; Salimi, Alireza; Eshtiagh-Hosseini, Hossein; Oliver, Allen G.","Hydrogen-bonded 3D network of d10-metal halide coordination polymer containing N-(3-pyridinyl) nicotinamide: influence of ligand conformation, halide anions and solvent","CrystEngComm","2019","21","16","2691","","10.1039/C9CE00107G","","","0.71073","MoKα","","0.0952","0.0926","","","0.2072","0.2081","","","","","","1.528","","","","has coordinates","223611","2020-10-21","18:00:00",""
"7232483","3.8737","0.0003","21.9191","0.0016","10.6759","0.0008","90","","95.751","0.002","90","","901.91","0.12","120","2","120","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C22 H18 N6 O2 -","- C22 H18 N6 O2 -","- C44 H36 N12 O4 -","2","0.5","","Nezhadali Baghan, Zahra; Salimi, Alireza; Eshtiagh-Hosseini, Hossein; Oliver, Allen G.","Hydrogen-bonded 3D network of d10-metal halide coordination polymer containing N-(3-pyridinyl) nicotinamide: influence of ligand conformation, halide anions and solvent","CrystEngComm","2019","21","16","2691","","10.1039/C9CE00107G","","","0.71073","MoKα","","0.0408","0.0346","","","0.0789","0.0817","","","","","","1.054","","","","has coordinates","223611","2020-10-21","18:00:00",""
"7232484","8.0392","0.0007","14.4602","0.0012","12.4285","0.001","90","","92.449","0.002","90","","1443.5","0.2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H9 Cd I2 N3 O -","- C11 H9 Cd I2 N3 O -","- C44 H36 Cd4 I8 N12 O4 -","4","1","","Nezhadali Baghan, Zahra; Salimi, Alireza; Eshtiagh-Hosseini, Hossein; Oliver, Allen G.","Hydrogen-bonded 3D network of d10-metal halide coordination polymer containing N-(3-pyridinyl) nicotinamide: influence of ligand conformation, halide anions and solvent","CrystEngComm","2019","21","16","2691","","10.1039/C9CE00107G","","","0.71073","MoKα","","0.0698","0.0601","","","0.1187","0.1242","","","","","","1.177","","","","has coordinates","223611","2020-10-21","18:00:00",""
"7232485","12.3192","0.0003","22.2133","0.0006","24.4657","0.0013","90","","94.038","0.004","90","","6678.4","0.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H126 N18 Ni13 O98 P2 W18 -","- C32 H92 N18 Ni13 O98 P2 W18 -","- C64 H184 N36 Ni26 O196 P4 W36 -","2","0.5","","Zhang, Zhong; Wang, Yue-Lin; Li, Hai-Lou; Sun, Ke-Ning; Yang, Guo-Yu","Syntheses, structures and properties of three organic‒inorganic hybrid polyoxotungstates constructed from {Ni6PW9} building blocks: from isolated clusters to 2-D layers","CrystEngComm","2019","21","16","2641","","10.1039/C9CE00194H","","","0.71073","MoKα","","0.14","0.0862","","","0.1918","0.2179","","","","","","1.064","","","","has coordinates","223612","2020-10-21","18:00:00",""
"7232486","13.3441","0.0003","14.2773","0.0003","36.0138","0.0011","90","","90","","90","","6861.3","0.3","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H67 N10 Ni7 O53 P W9 -","- C18 H47 N10 Ni7 O53 P W9 -","- C72 H188 N40 Ni28 O212 P4 W36 -","4","1","","Zhang, Zhong; Wang, Yue-Lin; Li, Hai-Lou; Sun, Ke-Ning; Yang, Guo-Yu","Syntheses, structures and properties of three organic‒inorganic hybrid polyoxotungstates constructed from {Ni6PW9} building blocks: from isolated clusters to 2-D layers","CrystEngComm","2019","21","16","2641","","10.1039/C9CE00194H","","","0.71073","MoKα","","0.057","0.051","","","0.1105","0.1137","","","","","","1.042","","","","has coordinates","223612","2020-10-21","18:00:00",""
"7232487","21.5089","0.0016","21.5089","0.0016","58.751","0.005","90","","90","","120","","23539","3","296","2","296","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C16.67 H32 N6.67 Ni5 O33.67 P0.67 W6 -","- C16.6667 H4 N6.66667 Ni5 O33.6667 P0.666667 W6 -","- C300 H72 N120 Ni90 O606 P12 W108 -","18","1","","Zhang, Zhong; Wang, Yue-Lin; Li, Hai-Lou; Sun, Ke-Ning; Yang, Guo-Yu","Syntheses, structures and properties of three organic‒inorganic hybrid polyoxotungstates constructed from {Ni6PW9} building blocks: from isolated clusters to 2-D layers","CrystEngComm","2019","21","16","2641","","10.1039/C9CE00194H","","","0.71073","MoKα","","0.0941","0.0712","","","0.2003","0.2162","","","","","","1.044","","","","has coordinates","223612","2020-10-21","18:00:00",""
"7232488","13.2457","0.0005","11.445","0.0005","13.8215","0.0006","90","","101.881","0.001","90","","2050.41","0.15","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H30 Co3 N6 O18 -","- C40 H30 Co3 N6 O18 -","- C80 H60 Co6 N12 O36 -","2","0.5","","Kong, Jiao-Jiao; Jiang, Yu-Xuan; Zhang, Jia-Chen; Shao, Dong; Huang, Xing-Cai","Two-dimensional magnetic materials of cobalt(ii) triangular lattices constructed by a mixed benzimidazole‒dicarboxylate strategy","CrystEngComm","2019","21","15","2596","","10.1039/C9CE00129H","","","0.71073","MoKα","","0.0467","0.0344","","","0.0833","0.0882","","","","","","1.041","","","","has coordinates","223680","2020-10-21","18:00:00",""
"7232489","13.306","0.006","9.76","0.004","18.493","0.008","90","","93.339","0.007","90","","2397.5","1.8","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H42 Co3 N6 O16 -","- C46 H42 Co3 N6 O16 -","- C92 H84 Co6 N12 O32 -","2","0.5","","Kong, Jiao-Jiao; Jiang, Yu-Xuan; Zhang, Jia-Chen; Shao, Dong; Huang, Xing-Cai","Two-dimensional magnetic materials of cobalt(ii) triangular lattices constructed by a mixed benzimidazole‒dicarboxylate strategy","CrystEngComm","2019","21","15","2596","","10.1039/C9CE00129H","","","0.71073","MoKα","","0.0554","0.0457","","","0.1359","0.1519","","","","","","1.089","","","","has coordinates","223680","2020-10-21","18:00:00",""
"7232490","25.3565","0.0011","9.444","0.0004","18.7778","0.0008","90","","105.363","0.001","90","","4336","0.3","150","2","150.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H30 Cl2 Co3 N4 O14 -","- C40 H30 Cl2 Co3 N4 O14 -","- C160 H120 Cl8 Co12 N16 O56 -","4","0.5","","Kong, Jiao-Jiao; Jiang, Yu-Xuan; Zhang, Jia-Chen; Shao, Dong; Huang, Xing-Cai","Two-dimensional magnetic materials of cobalt(ii) triangular lattices constructed by a mixed benzimidazole‒dicarboxylate strategy","CrystEngComm","2019","21","15","2596","","10.1039/C9CE00129H","","","0.71073","MoKα","","0.0462","0.0365","","","0.0889","0.0934","","","","","","1.026","","","","has coordinates,has disorder","223680","2020-10-21","18:00:00",""
"7232492","11.921","0.003","16.418","0.004","10.642","0.002","90","","104.408","0.005","90","","2017.3","0.8","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","F5BAI-PyrThio2","","- C21 H9 F5 I N S2 -","- C21 H9 F5 I N S2 -","- C84 H36 F20 I4 N4 S8 -","4","1","","Johnson, Sarah N.; Ellington, Thomas L.; Ngo, Duong T.; Nevarez, Jorge L.; Sparks, Nicholas; Rheingold, Arnold L.; Watkins, Davita L.; Tschumper, Gregory S.","Probing non-covalent interactions driving molecular assembly in organo-electronic building blocks","CrystEngComm","2019","21","20","3151","","10.1039/C9CE00219G","","x-ray","0.71073","MoKα","K-L~3~","0.0306","0.0234","","","0.05","0.0526","","","","","","1.029","","","","has coordinates,has disorder","223618","2020-10-21","18:00:00",""
"7232493","8.698","0.0015","10.4998","0.0015","12.215","0.002","86.922","0.007","70.756","0.006","68.527","0.004","977.3","0.3","200","","200","","","","","","","","","6","P -1","-P 1","2","","F5BAI-PyrFur2","","- C21 H9 F5 I N O2 -","- C21 H9 F5 I N O2 -","- C42 H18 F10 I2 N2 O4 -","2","1","","Johnson, Sarah N.; Ellington, Thomas L.; Ngo, Duong T.; Nevarez, Jorge L.; Sparks, Nicholas; Rheingold, Arnold L.; Watkins, Davita L.; Tschumper, Gregory S.","Probing non-covalent interactions driving molecular assembly in organo-electronic building blocks","CrystEngComm","2019","21","20","3151","","10.1039/C9CE00219G","","x-ray","1.54178","CuKα","","0.0407","0.0381","","","0.1012","0.104","","","","","","1.038","","","","has coordinates","223618","2020-10-21","18:00:00",""
"7232494","15.827","0.005","13.169","0.005","10.544","0.004","90","","106.918","0.006","90","","2102.5","1.3","296","2","296","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C28 H20 N4 -","- C28 H20 N4 -","- C112 H80 N16 -","4","1","","Wang, Hai-Yan; Kong, Lin; Zhu, Shu-Juan; Zhou, Hong-Ping; Yang, Jia-Xiang","Understanding the molecular orientation growth on a nanometer scale and adjustable electron transition performance of a terpyridyl derivative under different external environments","CrystEngComm","2019","21","17","2736","","10.1039/C8CE01940A","","","0.71073","MoKα","","0.0668","0.0446","","","0.1002","0.113","","","","","","1.038","","","","has coordinates","223585","2020-10-21","18:00:00",""
"7232497","7.4674","0.0016","15.866","0.003","24.954","0.006","97.734","0.009","93.796","0.012","93.228","0.008","2916.8","1.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","pimelic acid_isonicotinamide (1:2) cocrystal","","","- C57 H72 N12 O18 -","- C57 H72 N12 O18 -","- C114 H144 N24 O36 -","2","1","","Tothadi, Srinu; Phadkule, Amala","Does stoichiometry matter? Cocrystals of aliphatic dicarboxylic acids with isonicotinamide: odd‒even alternation in melting points","CrystEngComm","2019","21","15","2481","","10.1039/C9CE00299E","","","0.71073","MoKα","","0.0418","0.0357","","","0.1098","0.1151","","","","","","1.032","","","","has coordinates","223683","2020-10-21","18:00:00",""
"7232498","7.6025","0.0005","8.5644","0.0004","17.657","0.0009","91.672","0.004","95.094","0.005","103.671","0.005","1111.18","0.11","300","2","300","2","","","","","","","","4","P -1","-P 1","2","Azelaic acid_isonicotinamide 1:2 cocrystal","","","- C21 H28 N4 O6 -","- C21 H28 N4 O6 -","- C42 H56 N8 O12 -","2","1","","Tothadi, Srinu; Phadkule, Amala","Does stoichiometry matter? Cocrystals of aliphatic dicarboxylic acids with isonicotinamide: odd‒even alternation in melting points","CrystEngComm","2019","21","15","2481","","10.1039/C9CE00299E","","","0.71073","MoKα","","0.1146","0.0689","","","0.1602","0.1881","","","","","","0.902","","","","has coordinates","223683","2020-10-21","18:00:00",""
"7232499","7.38","0.03","8.39","0.03","9.02","0.03","92.46","0.05","96.65","0.04","91.65","0.04","554","4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","Sebacic acid: isonicotinamide 1:2 cocrystal","","","- C22 H30 N4 O6 -","- C22 H30 N4 O6 -","- C22 H30 N4 O6 -","1","0.5","","Tothadi, Srinu; Phadkule, Amala","Does stoichiometry matter? Cocrystals of aliphatic dicarboxylic acids with isonicotinamide: odd‒even alternation in melting points","CrystEngComm","2019","21","15","2481","","10.1039/C9CE00299E","","","0.71073","MoKα","","0.1648","0.0936","","","0.1967","0.2502","","","","","","1.065","","","","has coordinates","223683","2020-10-21","18:00:00",""
"7232500","7.69","0.012","8.987","0.015","16.77","0.03","96.724","0.006","96.41","0.02","115.163","0.015","1025","3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Suberic acid_isonicotinamide (1:2) cocrystal","","","- C20 H26 N4 O6 -","- C20 H26 N4 O6 -","- C40 H52 N8 O12 -","2","1","","Tothadi, Srinu; Phadkule, Amala","Does stoichiometry matter? Cocrystals of aliphatic dicarboxylic acids with isonicotinamide: odd‒even alternation in melting points","CrystEngComm","2019","21","15","2481","","10.1039/C9CE00299E","","","0.71073","MoKα","","0.1018","0.068","","","0.1654","0.1971","","","","","","1.111","","","","has coordinates","223683","2020-10-21","18:00:00",""
"7232504","16.0893","0.0006","6.8295","0.0003","18.8185","0.0008","90","","90","","90","","2067.81","0.15","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C5 H14 Cd Cl3 N -","- C5 H14 Cd Cl3 N -","- C40 H112 Cd8 Cl24 N8 -","8","1","","Sun, Dong-Sheng; Zhang, Yao-Zu; Gao, Ji-Xing; Hua, Xiu-Ni; Chen, Xiao-Gang; Mei, Guang-Quan; Liao, Wei-Qiang","Reversible high temperature dielectric switching in a 2H-perovskite compound: [Me3NCH2CH3]CdCl3","CrystEngComm","2019","21","16","2669","","10.1039/C8CE02174K","","","0.71073","MoKα","","0.066","0.0555","","","0.1624","0.1704","","","","","","1.03","","","","has coordinates","223608","2020-10-21","18:00:00",""
"7232505","9.5032","0.0003","9.5032","0.0003","6.8345","0.0004","90","","90","","120","","534.54","0.04","363","2","363","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C5 H14 Cd Cl3 N -","- C5 H13.92 Cd Cl3 N -","- C10 H27.84 Cd2 Cl6 N2 -","2","0.0833333","","Sun, Dong-Sheng; Zhang, Yao-Zu; Gao, Ji-Xing; Hua, Xiu-Ni; Chen, Xiao-Gang; Mei, Guang-Quan; Liao, Wei-Qiang","Reversible high temperature dielectric switching in a 2H-perovskite compound: [Me3NCH2CH3]CdCl3","CrystEngComm","2019","21","16","2669","","10.1039/C8CE02174K","","","0.71073","MoKα","","0.0423","0.0383","","","0.1166","0.1219","","","","","","1.008","","","","has coordinates","223608","2020-10-21","18:00:00",""
"7232506","18.2461","0.001","10.1265","0.0006","23.6108","0.0014","90","","91.8549","0.0018","90","","4360.3","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C48 H68 N2 O5 -","- C48 H68 N2 O5 -","- C192 H272 N8 O20 -","4","2","","Zep, Anna; Pruszkowska, Kamila; Dobrzycki, Łukasz; Sektas, Katarzyna; Szałański, Piotr; Marek, Paulina H.; Cyrański, Michał K.; Sicinski, Rafal R.","Cholesterol-based photo-switchable mesogenic dimers. Strongly bent molecules versus an intercalated structure","CrystEngComm","2019","21","17","2779","","10.1039/C9CE00013E","","","1.54178","CuKα","","0.0734","0.055","","","0.1315","0.1457","","","","","","1.073","","","","has coordinates,has disorder","223588","2020-10-21","18:00:00",""
"7232507","12.4123","0.0006","11.9482","0.0006","16.985","0.0008","90","","110.83","0.002","90","","2354.3","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C53 H78 N2 O5 -","- C53 H78 N2 O5 -","- C106 H156 N4 O10 -","2","1","","Zep, Anna; Pruszkowska, Kamila; Dobrzycki, Łukasz; Sektas, Katarzyna; Szałański, Piotr; Marek, Paulina H.; Cyrański, Michał K.; Sicinski, Rafal R.","Cholesterol-based photo-switchable mesogenic dimers. Strongly bent molecules versus an intercalated structure","CrystEngComm","2019","21","17","2779","","10.1039/C9CE00013E","","","1.54178","CuKα","","0.037","0.0315","","","0.0687","0.0716","","","","","","1.087","","","","has coordinates,has disorder","223588","2020-10-21","18:00:00",""
"7232508","12.1746","0.0009","12.1005","0.0009","16.8114","0.0012","90","","103.777","0.004","90","","2405.4","0.3","125","2","125","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C54 H80 N2 O5 -","- C54 H80 N2 O5 -","- C108 H160 N4 O10 -","2","1","","Zep, Anna; Pruszkowska, Kamila; Dobrzycki, Łukasz; Sektas, Katarzyna; Szałański, Piotr; Marek, Paulina H.; Cyrański, Michał K.; Sicinski, Rafal R.","Cholesterol-based photo-switchable mesogenic dimers. Strongly bent molecules versus an intercalated structure","CrystEngComm","2019","21","17","2779","","10.1039/C9CE00013E","","","1.54178","CuKα","","0.0557","0.0435","","","0.0839","0.0892","","","","","","1.107","","","","has coordinates","223588","2020-10-21","18:00:00",""
"7232509","18.4512","0.0005","10.2622","0.0003","25.1817","0.0007","90","","109.629","0.0014","90","","4491.1","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C50 H72 N2 O5 -","- C50 H72 N2 O5 -","- C200 H288 N8 O20 -","4","2","","Zep, Anna; Pruszkowska, Kamila; Dobrzycki, Łukasz; Sektas, Katarzyna; Szałański, Piotr; Marek, Paulina H.; Cyrański, Michał K.; Sicinski, Rafal R.","Cholesterol-based photo-switchable mesogenic dimers. Strongly bent molecules versus an intercalated structure","CrystEngComm","2019","21","17","2779","","10.1039/C9CE00013E","","","1.54178","CuKα","","0.0663","0.0506","","","0.1208","0.1291","","","","","","1.029","","","","has coordinates,has disorder","223588","2020-10-21","18:00:00",""
"7232510","19.0707","0.0009","11.2605","0.0005","21.8074","0.001","90","","96.848","0.003","90","","4649.6","0.4","125","2","125","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C52 H76 N2 O5 -","- C52 H76 N2 O5 -","- C208 H304 N8 O20 -","4","2","","Zep, Anna; Pruszkowska, Kamila; Dobrzycki, Łukasz; Sektas, Katarzyna; Szałański, Piotr; Marek, Paulina H.; Cyrański, Michał K.; Sicinski, Rafal R.","Cholesterol-based photo-switchable mesogenic dimers. Strongly bent molecules versus an intercalated structure","CrystEngComm","2019","21","17","2779","","10.1039/C9CE00013E","","","1.54178","CuKα","","0.0509","0.0441","","","0.0967","0.1006","","","","","","1.059","","","","has coordinates","223588","2020-10-21","18:00:00",""
"7232511","6.1434","0.0006","18.1087","0.0017","39.29","0.004","90","","90","","90","","4371","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C49 H70 N2 O5 -","- C49 H70 N2 O5 -","- C196 H280 N8 O20 -","4","1","","Zep, Anna; Pruszkowska, Kamila; Dobrzycki, Łukasz; Sektas, Katarzyna; Szałański, Piotr; Marek, Paulina H.; Cyrański, Michał K.; Sicinski, Rafal R.","Cholesterol-based photo-switchable mesogenic dimers. Strongly bent molecules versus an intercalated structure","CrystEngComm","2019","21","17","2779","","10.1039/C9CE00013E","","","1.54178","CuKα","","0.1018","0.0992","","","0.2103","0.2115","","","","","","1.12","","","","has coordinates,has disorder","223588","2020-10-21","18:00:00",""
"7232512","7.8033","0.0016","10.566","0.002","5.7294","0.0011","90","","90","","90","","472.39","0.16","153","2","153","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Cd2 F2 O3 Se -","- Cd2 F2 O3 Se -","- Cd8 F8 O12 Se4 -","4","0.5","","You, Fengguang; Gong, Pifu; Liang, Fei; Jiang, Xingxing; Tu, Heng; Zhao, Ying; Hu, Zhanggui; Lin, Zheshuai","M2(SeO3)F2 (M = Zn, Cd): understanding the structure directing effect of [SeO3]2− groups on constructing ordered oxyfluorides","CrystEngComm","2019","21","15","2485","","10.1039/C9CE00279K","","","0.71073","MoKα","","0.0354","0.0343","","","0.0824","0.083","","","","","","1.246","","","","has coordinates","223679","2020-10-21","18:00:00",""
"7232513","7.2758","0.0015","10.042","0.002","5.2562","0.0011","90","","90","","90","","384.04","0.14","153","2","153","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- F2 O3 Se Zn2 -","- F2 O3 Se Zn2 -","- F8 O12 Se4 Zn8 -","4","0.5","","You, Fengguang; Gong, Pifu; Liang, Fei; Jiang, Xingxing; Tu, Heng; Zhao, Ying; Hu, Zhanggui; Lin, Zheshuai","M2(SeO3)F2 (M = Zn, Cd): understanding the structure directing effect of [SeO3]2− groups on constructing ordered oxyfluorides","CrystEngComm","2019","21","15","2485","","10.1039/C9CE00279K","","","0.71073","MoKα","","0.0244","0.0242","","","0.0621","0.0622","","","","","","1.255","","","","has coordinates","223679","2020-10-21","18:00:00",""
"7232524","13.6221","0.0018","5.507","0.001","16.919","0.002","90","","100.303","0.011","90","","1248.7","0.3","298","2","298","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C22 H14 Br2 F4 N6 O2 Zn -","- C22 H14 Br2 F4 N6 O2 Zn -","- C44 H28 Br4 F8 N12 O4 Zn2 -","2","0.5","","Khavasi, Hamid Reza; Rahimi, Narjes","Lone pair⋯π interaction versus σ-hole appearance in metal-bonded halogens","CrystEngComm","2019","21","18","2929","","10.1039/C8CE01795F","","","0.71073","MoKα","","0.071","0.0615","","","0.1342","0.1512","","","","","","1.01","","","","has coordinates","223686","2020-10-21","18:00:00",""
"7232525","13.349","0.005","5.3648","0.0013","17.035","0.006","90","","101.02","0.03","90","","1197.5","0.7","298","2","298","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C22 H14 Cl2 F4 N6 O2 Zn -","- C22 H14 Cl2 F4 N6 O2 Zn -","- C44 H28 Cl4 F8 N12 O4 Zn2 -","2","0.5","","Khavasi, Hamid Reza; Rahimi, Narjes","Lone pair⋯π interaction versus σ-hole appearance in metal-bonded halogens","CrystEngComm","2019","21","18","2929","","10.1039/C8CE01795F","","","0.71073","MoKα","","0.0915","0.09","","","0.1417","0.1591","","","","","","1.012","","","","has coordinates","223686","2020-10-21","18:00:00",""
"7232526","8.1277","0.0008","12.0713","0.0016","25.815","0.002","90","","95.384","0.007","90","","2521.6","0.5","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H14 F4 I2 N6 O2 Zn -","- C22 H14 F4 I2 N6 O2 Zn -","- C88 H56 F16 I8 N24 O8 Zn4 -","4","1","","Khavasi, Hamid Reza; Rahimi, Narjes","Lone pair⋯π interaction versus σ-hole appearance in metal-bonded halogens","CrystEngComm","2019","21","18","2929","","10.1039/C8CE01795F","","","0.71073","MoKα","","0.09","0.0787","","","0.1184","0.1429","","","","","","1.001","","","","has coordinates","223686","2020-10-21","18:00:00",""
"7232530","9.8073","0.0007","10.2949","0.0007","15.0299","0.0008","89.515","0.005","89.492","0.005","66.462","0.007","1391.16","0.17","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H23 Cu N5 O2 P S -","- C29 H23 Cu N5 O2 P S -","- C58 H46 Cu2 N10 O4 P2 S2 -","2","1","","Gholivand, Khodayar; Tizhoush, Samaneh K.; Kozakiewicz, Anna; Eskandari, Kiamars; Farshadfar, Kaveh","Copper(i) complexes of functionalized sulfur-containing ligands: structural and theoretical insights into chalcogen bonding","CrystEngComm","2019","21","16","2675","","10.1039/C8CE02006J","","","0.71073","MoKα","","0.1211","0.0628","","","0.1495","0.1886","","","","","","1.047","","","","has coordinates","223609","2020-10-21","18:00:00",""
"7232531","9.8681","0.0013","10.5055","0.0014","15.218","0.002","86.886","0.011","88.725","0.011","66.073","0.013","1439.9","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H23 Cu N5 O P S2 -","- C29 H23 Cu N5 O P S2 -","- C58 H46 Cu2 N10 O2 P2 S4 -","2","1","","Gholivand, Khodayar; Tizhoush, Samaneh K.; Kozakiewicz, Anna; Eskandari, Kiamars; Farshadfar, Kaveh","Copper(i) complexes of functionalized sulfur-containing ligands: structural and theoretical insights into chalcogen bonding","CrystEngComm","2019","21","16","2675","","10.1039/C8CE02006J","","","0.71073","MoKα","","0.1436","0.0669","","","0.1619","0.2435","","","","","","1.021","","","","has coordinates","223609","2020-10-21","18:00:00",""
"7232532","9.796","0.0015","12.651","0.003","12.905","0.002","63.694","0.019","84.05","0.014","71.894","0.016","1361.6","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H18 Cu N4 O P S5 -","- C24 H18 Cu N4 O P S5 -","- C48 H36 Cu2 N8 O2 P2 S10 -","2","1","","Gholivand, Khodayar; Tizhoush, Samaneh K.; Kozakiewicz, Anna; Eskandari, Kiamars; Farshadfar, Kaveh","Copper(i) complexes of functionalized sulfur-containing ligands: structural and theoretical insights into chalcogen bonding","CrystEngComm","2019","21","16","2675","","10.1039/C8CE02006J","","","0.71073","MoKα","","0.1478","0.0913","","","0.2331","0.3017","","","","","","1.013","","","","has coordinates","223609","2020-10-21","18:00:00",""
"7232533","9.8303","0.0007","12.5727","0.0012","12.6202","0.0012","65.192","0.009","85.784","0.007","71.776","0.008","1341.8","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H18 Cu N4 O2 P S4 -","- C24 H18 Cu N4 O2 P S4 -","- C48 H36 Cu2 N8 O4 P2 S8 -","2","1","","Gholivand, Khodayar; Tizhoush, Samaneh K.; Kozakiewicz, Anna; Eskandari, Kiamars; Farshadfar, Kaveh","Copper(i) complexes of functionalized sulfur-containing ligands: structural and theoretical insights into chalcogen bonding","CrystEngComm","2019","21","16","2675","","10.1039/C8CE02006J","","","0.71073","MoKα","","0.1034","0.0583","","","0.1239","0.1492","","","","","","1","","","","has coordinates,has disorder","223609","2020-10-21","18:00:00",""
"7232534","14.141","0.003","15.307","0.003","19.905","0.004","67.42","0.03","77.79","0.03","83.87","0.03","3886.7","1.7","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","nicosulfuron","","- C15 H20 N6 O7 S -","- C15 H20 N6 O7 S -","- C120 H160 N48 O56 S8 -","8","4","","Liu, Yu; Jia, Lina; Wu, Songgu; Xu, Shijie; Zhang, Xu; Jiang, Shuang; Gong, Junbo","Polymorphism and molecular conformations of nicosulfuron: structure, properties and desolvation process","CrystEngComm","2019","21","17","2790","","10.1039/C8CE02074D","","","0.71073","MoKα","","0.1333","0.0873","","","0.2068","0.2401","","","","","","1.125","","","","has coordinates","223586","2020-10-21","18:00:00",""
"7232535","23.197","0.005","14.331","0.003","13.596","0.003","90","","112.54","0.03","90","","4174.5","1.8","113","2","113.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H21 N7 O6 S -","- C17 H21 N7 O6 S -","- C136 H168 N56 O48 S8 -","8","1","","Liu, Yu; Jia, Lina; Wu, Songgu; Xu, Shijie; Zhang, Xu; Jiang, Shuang; Gong, Junbo","Polymorphism and molecular conformations of nicosulfuron: structure, properties and desolvation process","CrystEngComm","2019","21","17","2790","","10.1039/C8CE02074D","","","0.71073","MoKα","","0.0785","0.0595","","","0.1226","0.1328","","","","","","1.142","","","","has coordinates","223586","2020-10-21","18:00:00",""
"7232536","7.8533","0.0016","20.401","0.004","25.859","0.005","85.55","0.03","83.76","0.03","85.07","0.03","4093.5","1.4","113","2","113.15","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H22 N6 O7 S -","- C16 H22 N6 O7 S -","- C128 H176 N48 O56 S8 -","8","4","","Liu, Yu; Jia, Lina; Wu, Songgu; Xu, Shijie; Zhang, Xu; Jiang, Shuang; Gong, Junbo","Polymorphism and molecular conformations of nicosulfuron: structure, properties and desolvation process","CrystEngComm","2019","21","17","2790","","10.1039/C8CE02074D","","","0.71073","MoKα","","0.1316","0.0684","","","0.156","0.1946","","","","","","0.988","","","","has coordinates","223586","2020-10-21","18:00:00",""
"7232537","18.96","0.003","6.7993","0.0011","29.935","0.005","90","","91.638","0.014","90","","3857.5","1.1","298","2","298","2","","","","","","","","5","I 1 2 1","I 2y","5","PRX-OXA","Paroxetine oxalate","","- C40 H44 F2 N2 O11 -","- C40 H42 F2 N2 O11 -","- C160 H168 F8 N8 O44 -","4","1","","Carvalho, Paulo S.; Diniz, Luan F.; Tenorio, Juan C.; Souza, Matheus S.; Franco, Chris H. J.; Rial, Rafael C.; Warszawski de Oliveira, Karla Regina; Nazario, Carlos E. D.; Ellena, Javier","Pharmaceutical paroxetine-based organic salts of carboxylic acids with optimized properties: the identification and characterization of potential novel API solid forms","CrystEngComm","2019","21","24","3668","","10.1039/C8CE02076K","","x-ray","0.71073","MoKα","","0.1338","0.0774","","","0.2097","0.2645","","","","","","1.021","","","","has coordinates","223475","2020-10-21","18:00:00",""
"7232538","7.2223","0.0003","7.995","0.001","18.538","0.002","78.672","0.01","82.396","0.005","85.86","0.007","1039.17","0.18","100","2","100","2","","","","","","","","5","P 1","P 1","1","PRX-FUM","Paroxetine fumarate","","- C23 H24 F N O7 -","- C23 H24 F N O7 -","- C46 H48 F2 N2 O14 -","2","2","","Carvalho, Paulo S.; Diniz, Luan F.; Tenorio, Juan C.; Souza, Matheus S.; Franco, Chris H. J.; Rial, Rafael C.; Warszawski de Oliveira, Karla Regina; Nazario, Carlos E. D.; Ellena, Javier","Pharmaceutical paroxetine-based organic salts of carboxylic acids with optimized properties: the identification and characterization of potential novel API solid forms","CrystEngComm","2019","21","24","3668","","10.1039/C8CE02076K","","","0.71073","MoKα","","0.0432","0.0394","","","0.1026","0.1061","","","","","","1.048","","","","has coordinates","223475","2020-10-21","18:00:00",""
"7232539","14.3395","0.0017","7.9557","0.0009","19.608","0.002","90","","97.036","0.002","90","","2220.1","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","PRX-TART","Paroxetine tartrate","","- C23 H27 F N O9.5 -","- C23 H27 F N O9.5 -","- C92 H108 F4 N4 O38 -","4","2","","Carvalho, Paulo S.; Diniz, Luan F.; Tenorio, Juan C.; Souza, Matheus S.; Franco, Chris H. J.; Rial, Rafael C.; Warszawski de Oliveira, Karla Regina; Nazario, Carlos E. D.; Ellena, Javier","Pharmaceutical paroxetine-based organic salts of carboxylic acids with optimized properties: the identification and characterization of potential novel API solid forms","CrystEngComm","2019","21","24","3668","","10.1039/C8CE02076K","","","0.71073","MoKα","","0.052","0.0414","","","0.0961","0.1024","","","","","","1.037","","","","has coordinates","223475","2020-10-21","18:00:00",""
"7232540","11.629","0.002","11.649","0.002","17.584","0.005","77.74","0.004","77.333","0.004","71.079","0.003","2172.6","0.8","100","2","100","2","","","","","","","","5","P 1","P 1","1","PRX-MAL","Paroxetine maleate","","- C23 H24 F N O7 -","- C23 H24 F N O7 -","- C92 H96 F4 N4 O28 -","4","4","","Carvalho, Paulo S.; Diniz, Luan F.; Tenorio, Juan C.; Souza, Matheus S.; Franco, Chris H. J.; Rial, Rafael C.; Warszawski de Oliveira, Karla Regina; Nazario, Carlos E. D.; Ellena, Javier","Pharmaceutical paroxetine-based organic salts of carboxylic acids with optimized properties: the identification and characterization of potential novel API solid forms","CrystEngComm","2019","21","24","3668","","10.1039/C8CE02076K","","","0.71073","MoKα","","0.0666","0.0654","","","0.1687","0.1708","","","","","","1.04","","","","has coordinates","223475","2020-10-21","18:00:00",""
"7232543","9.3936","0.0003","13.3227","0.0004","14.561","0.0004","70.316","0.002","88.607","0.002","80.167","0.002","1689.51","0.09","169.98","0.1","169.98","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C36 H32 N6 O4 -","- C36 H32 N6 O4 -","- C72 H64 N12 O8 -","2","1","","Chen, Shaojin; Zhang, Wenxuan; Liu, Wei; Ge, Zhaohai; Wang, Kun-Peng; Gan, Li-Hua; Hu, Zhi-Qiang","Binaphthanol-based organic fluorophores with color tunability and their optical properties","CrystEngComm","2019","21","17","2809","","10.1039/C9CE00170K","","x-ray","1.54178","CuKα","","0.0488","0.0455","","","0.1253","0.1311","","","","","","1.047","","","","has coordinates","223587","2020-10-21","18:00:00",""
"7232556","9.7009","0.0011","15.2187","0.0015","15.7698","0.0014","70.569","0.004","84.308","0.006","83.265","0.005","2175.9","0.4","200","2","200","","","","","","","","","4","P -1","-P 1","2","","","","- C45 H69 Ce O3 -","- C45 H69 Ce O3 -","- C90 H138 Ce2 O6 -","2","1","","Haddow, Mairi F.; Newland, Robert J.; Tegner, Bengt E.; Mansell, Stephen M.","Reversible temperature-induced polymorphic phase transitions of [Y(OAr)3] and [Ce(OAr)3] (Ar = 2,6-tBu2-4-MeC6H2): interconversions between pyramidal and planar geometries","CrystEngComm","2019","21","18","2884","","10.1039/C9CE00184K","","","0.71073","MoKα","","0.0687","0.0399","","","0.0943","0.1071","","","","","","1.015","","","","has coordinates,has disorder","223688","2020-10-21","18:00:00",""
"7232557","9.7113","0.0003","15.0872","0.0004","15.6649","0.0005","70.506","0.002","83.665","0.002","82.16","0.002","2138.2","0.11","160","2","160","","","","","","","","","4","P -1","-P 1","2","","","","- C45 H69 O3 Y -","- C45 H69 O3 Y -","- C90 H138 O6 Y2 -","2","1","","Haddow, Mairi F.; Newland, Robert J.; Tegner, Bengt E.; Mansell, Stephen M.","Reversible temperature-induced polymorphic phase transitions of [Y(OAr)3] and [Ce(OAr)3] (Ar = 2,6-tBu2-4-MeC6H2): interconversions between pyramidal and planar geometries","CrystEngComm","2019","21","18","2884","","10.1039/C9CE00184K","","","0.71073","MoKα","","0.0682","0.0377","","","0.0864","0.0965","","","","","","1.005","","","","has coordinates,has disorder","223688","2020-10-21","18:00:00",""
"7232558","9.691","0.0006","25.0295","0.0017","45.485","0.003","76.182","0.004","86.604","0.003","80.933","0.003","10577","1.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H69 O3 Y -","- C45 H69 O3 Y -","- C450 H690 O30 Y10 -","10","5","","Haddow, Mairi F.; Newland, Robert J.; Tegner, Bengt E.; Mansell, Stephen M.","Reversible temperature-induced polymorphic phase transitions of [Y(OAr)3] and [Ce(OAr)3] (Ar = 2,6-tBu2-4-MeC6H2): interconversions between pyramidal and planar geometries","CrystEngComm","2019","21","18","2884","","10.1039/C9CE00184K","","","0.71073","MoKα","","0.1354","0.0631","","","0.1284","0.1513","","","","","","1.014","","","","has coordinates","223688","2020-10-21","18:00:00",""
"7232559","9.7054","0.0005","25.1144","0.0012","17.7491","0.0009","92.271","0.003","91.056","0.003","98.699","0.003","4271.8","0.4","140","2","140","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H69 O3 Y -","- C45 H69 O3 Y -","- C180 H276 O12 Y4 -","4","2","","Haddow, Mairi F.; Newland, Robert J.; Tegner, Bengt E.; Mansell, Stephen M.","Reversible temperature-induced polymorphic phase transitions of [Y(OAr)3] and [Ce(OAr)3] (Ar = 2,6-tBu2-4-MeC6H2): interconversions between pyramidal and planar geometries","CrystEngComm","2019","21","18","2884","","10.1039/C9CE00184K","","","0.71073","MoKα","","0.1123","0.051","","","0.1048","0.1221","","","","","","1.032","","","","has coordinates","223688","2020-10-21","18:00:00",""
"7232560","9.648","0.0004","17.7941","0.0007","25.1982","0.001","92.202","0.002","97.768","0.002","91.001","0.002","4282","0.3","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C45 H69 Ce O3 -","- C45 H69 Ce O3 -","- C180 H276 Ce4 O12 -","4","2","","Haddow, Mairi F.; Newland, Robert J.; Tegner, Bengt E.; Mansell, Stephen M.","Reversible temperature-induced polymorphic phase transitions of [Y(OAr)3] and [Ce(OAr)3] (Ar = 2,6-tBu2-4-MeC6H2): interconversions between pyramidal and planar geometries","CrystEngComm","2019","21","18","2884","","10.1039/C9CE00184K","","","0.71073","MoKα","","0.0461","0.0332","","","0.0749","0.08","","","","","","1.057","","","","has coordinates","223688","2020-10-21","18:00:00",""
"7232561","9.6914","0.0004","25.0653","0.001","35.4181","0.0014","92.297","0.002","91.122","0.002","98.89","0.002","8490.6","0.6","120","2","120","","","","","","","","","4","P -1","-P 1","2","","","","- C45 H69 O3 Y -","- C45 H69 O3 Y -","- C360 H552 O24 Y8 -","8","4","","Haddow, Mairi F.; Newland, Robert J.; Tegner, Bengt E.; Mansell, Stephen M.","Reversible temperature-induced polymorphic phase transitions of [Y(OAr)3] and [Ce(OAr)3] (Ar = 2,6-tBu2-4-MeC6H2): interconversions between pyramidal and planar geometries","CrystEngComm","2019","21","18","2884","","10.1039/C9CE00184K","","","0.71073","MoKα","","0.1058","0.0572","","","0.1175","0.132","","","","","","1.056","","","","has coordinates","223688","2020-10-21","18:00:00",""
"7232565","7.6945","0.0001","6.9868","0.0001","15.1284","0.0003","90","","90","","90","","813.3","0.02","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C3 Ag N O4 -","- C3 Ag N O4 -","- C24 Ag8 N8 O32 -","8","1","","Milašinović, Valentina; Molčanov, Krešimir","Nitranilic acid as a basis for construction of coordination polymers: from discrete monomers to 3D networks","CrystEngComm","2019","21","18","2962","","10.1039/C9CE00209J","","","1.54179","CuKα","","0.0284","0.028","","","","0.0754","","","","","","1.111","","","","has coordinates","223687","2020-10-21","18:00:00",""
"7232566","6.8003","0.0002","11.3128","0.0003","15.4766","0.0005","108.407","0.003","91.535","0.003","99.86","0.003","1108.85","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 Ag2 N6 O16 -","- C16 H16 Ag2 N6 O16 -","- C32 H32 Ag4 N12 O32 -","2","1","","Milašinović, Valentina; Molčanov, Krešimir","Nitranilic acid as a basis for construction of coordination polymers: from discrete monomers to 3D networks","CrystEngComm","2019","21","18","2962","","10.1039/C9CE00209J","","","1.54179","CuKα","","0.037","0.0355","","","","0.0989","","","","","","1.065","","","","has coordinates","223687","2020-10-21","18:00:00",""
"7232567","9.661","0.0004","6.841","0.0003","14.3353","0.0007","90","","97.453","0.004","90","","939.43","0.07","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C6 H4 Cu N2 O10 -","- C6 H4 Cu N2 O10 -","- C24 H16 Cu4 N8 O40 -","4","0.5","","Milašinović, Valentina; Molčanov, Krešimir","Nitranilic acid as a basis for construction of coordination polymers: from discrete monomers to 3D networks","CrystEngComm","2019","21","18","2962","","10.1039/C9CE00209J","","","1.54179","CuKα","","0.0399","0.0383","","","","0.1056","","","","","","1.065","","","","has coordinates","223687","2020-10-21","18:00:00",""
"7232568","14.482","0.0008","14.482","0.0008","21.7912","0.0009","90","","90","","120","","3957.9","0.3","293","2","","","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C78 H48 Fe2 N18 Na2 O30 -","- C78 H48 Fe2 N18 Na2 O30 -","- C156 H96 Fe4 N36 Na4 O60 -","2","0.166667","","Milašinović, Valentina; Molčanov, Krešimir","Nitranilic acid as a basis for construction of coordination polymers: from discrete monomers to 3D networks","CrystEngComm","2019","21","18","2962","","10.1039/C9CE00209J","","","1.54184","CuKα","","0.0848","0.0717","","","","0.2312","","","","","","1.069","","","","has coordinates,has disorder","223687","2020-10-21","18:00:00",""
"7232569","9.7318","0.0004","6.8338","0.0004","14.4055","0.0007","90","","98.472","0.004","90","","947.59","0.08","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C6 H4 Co N2 O10 -","- C6 H4 Co N2 O10 -","- C24 H16 Co4 N8 O40 -","4","0.5","","Milašinović, Valentina; Molčanov, Krešimir","Nitranilic acid as a basis for construction of coordination polymers: from discrete monomers to 3D networks","CrystEngComm","2019","21","18","2962","","10.1039/C9CE00209J","","","1.54179","CuKα","","0.0434","0.0416","","","","0.1141","","","","","","1.233","","","","has coordinates","223687","2020-10-21","18:00:00",""
"7232570","11.7176","0.0001","28.5764","0.0002","13.3497","0.0001","90","","100.097","0.001","90","","4400.87","0.06","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C88 H65.5 Fe2 N20 Na2 O28.94 -","- C88 H65.5 Fe2 N20 Na2 O28.94 -","- C176 H131 Fe4 N40 Na4 O57.88 -","2","1","","Milašinović, Valentina; Molčanov, Krešimir","Nitranilic acid as a basis for construction of coordination polymers: from discrete monomers to 3D networks","CrystEngComm","2019","21","18","2962","","10.1039/C9CE00209J","","","1.54184","CuKα","","0.0448","0.0438","","","","0.1234","","","","","","1.035","","","","has coordinates,has disorder","223687","2020-10-21","18:00:00",""
"7232572","18.9658","0.0004","8.93532","0.00014","8.98702","0.00018","90","","99.6349","0.0017","90","","1501.51","0.05","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 Ca Cl2 N4 O6 -","- C26 H32 Ca Cl2 N4 O6 -","- C52 H64 Ca2 Cl4 N8 O12 -","2","0.5","","Shemchuk, O.; André, V.; Duarte, M. T.; Braga, D.; Grepioni, F.","Mechanochemical preparation of molecular and ionic co-crystals of the hormone melatonin","CrystEngComm","2019","21","18","2949","","10.1039/C9CE00316A","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","0.0178","2.22789","","","","","","","has coordinates","223684","2020-10-21","18:00:00",""
"7232573","17.05","0.0007","9.8304","0.0004","9.3339","0.0003","90","","105.097","0.002","90","","1510.44","0.1","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H42 N6 O4 -","- C30 H42 N6 O4 -","- C60 H84 N12 O8 -","2","0.5","","Shemchuk, O.; André, V.; Duarte, M. T.; Braga, D.; Grepioni, F.","Mechanochemical preparation of molecular and ionic co-crystals of the hormone melatonin","CrystEngComm","2019","21","18","2949","","10.1039/C9CE00316A","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","0.0115","3.84067","","","","","","","has coordinates","223684","2020-10-21","18:00:00",""
"7232574","18.9658","0.0004","8.93532","0.00014","8.98702","0.00018","90","","99.6349","0.0017","90","","1501.51","0.05","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 Ca Cl2 N4 O6 -","- C26 H32 Ca Cl2 N4 O6 -","- C52 H64 Ca2 Cl4 N8 O12 -","2","0.5","","Shemchuk, O.; André, V.; Duarte, M. T.; Braga, D.; Grepioni, F.","Mechanochemical preparation of molecular and ionic co-crystals of the hormone melatonin","CrystEngComm","2019","21","18","2949","","10.1039/C9CE00316A","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","0.0178","2.22789","","","","","","","has coordinates","223684","2020-10-21","18:00:00",""
"7232575","8.4118","0.0003","9.9682","0.0003","15.4809","0.0006","90","","90","","90","","1298.08","0.08","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1,3-Cyclohexanediol, trans-","","- C6 H12 O2 -","- C6 H12 O2 -","- C48 H96 O16 -","8","1","","Maria, Teresa M. R.; Rosado, Mário T. S.; Oliveira, Melodia F.; Bebiano, Suse S.; Castro, Ricardo A. E.; Juszyńska-Gałązka, Ewa; Ramos Silva, Manuela; Canotilho, João; Eusébio, M. Ermelinda S.","Polymorphism of 1,3-cyclohexanediols: molecular structure and plastic crystal formation of cyclohexanediol isomers","CrystEngComm","2019","21","22","3395","","10.1039/C9CE00186G","","","0.71073","MoKα","","0.0854","0.0439","","","0.1","0.119","","","","","","1.031","","","","has coordinates","223491","2020-10-21","18:00:00",""
"7232576","4.2934","0.0003","6.2651","0.0004","13.2828","0.0008","101.118","0.005","96.9","0.005","98.117","0.005","343.05","0.04","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H5 F4 I2 N O -","- C12 H5 F4 I2 N O -","- C12 H5 F4 I2 N O -","1","0.5","","Nemec, Vinko; Fotović, Luka; Vitasović, Toni; Cinčić, Dominik","Halogen bonding of the aldehyde oxygen atom in cocrystals of aromatic aldehydes and 1,4-diiodotetrafluorobenzene","CrystEngComm","2019","21","21","3251","","10.1039/C9CE00340A","","","0.71073","MoKα","","0.0369","0.0361","","","0.1034","0.1042","","","","","","1.137","","","","has coordinates,has disorder","223692","2020-10-21","18:00:00",""
"7232577","9.8371","0.0008","12.5539","0.001","21.3222","0.0015","90","","96.397","0.007","90","","2616.8","0.4","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H16 F4 I2 O4 -","- C28 H16 F4 I2 O4 -","- C112 H64 F16 I8 O16 -","4","1","","Nemec, Vinko; Fotović, Luka; Vitasović, Toni; Cinčić, Dominik","Halogen bonding of the aldehyde oxygen atom in cocrystals of aromatic aldehydes and 1,4-diiodotetrafluorobenzene","CrystEngComm","2019","21","21","3251","","10.1039/C9CE00340A","","","0.71073","MoKα","","0.0865","0.0603","","","0.122","0.1334","","","","","","1.124","","","","has coordinates","223692","2020-10-21","18:00:00",""
"7232578","8.2542","0.0003","15.364","0.0005","10.5028","0.0005","90","","106.955","0.004","90","","1274.05","0.09","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 F4 I2 O6 -","- C24 H20 F4 I2 O6 -","- C48 H40 F8 I4 O12 -","2","0.5","","Nemec, Vinko; Fotović, Luka; Vitasović, Toni; Cinčić, Dominik","Halogen bonding of the aldehyde oxygen atom in cocrystals of aromatic aldehydes and 1,4-diiodotetrafluorobenzene","CrystEngComm","2019","21","21","3251","","10.1039/C9CE00340A","","","0.71073","MoKα","","0.0315","0.0238","","","0.0602","0.0644","","","","","","1.05","","","","has coordinates","223692","2020-10-21","18:00:00",""
"7232579","7.6135","0.0005","28.68","0.002","7.4414","0.0007","90","","98.956","0.007","90","","1605.1","0.2","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 F4 I2 O3 -","- C14 H8 F4 I2 O3 -","- C56 H32 F16 I8 O12 -","4","1","","Nemec, Vinko; Fotović, Luka; Vitasović, Toni; Cinčić, Dominik","Halogen bonding of the aldehyde oxygen atom in cocrystals of aromatic aldehydes and 1,4-diiodotetrafluorobenzene","CrystEngComm","2019","21","21","3251","","10.1039/C9CE00340A","","","0.71073","MoKα","","0.0811","0.0558","","","0.1105","0.1215","","","","","","1.196","","","","has coordinates","223692","2020-10-21","18:00:00",""
"7232580","8.1668","0.0005","8.4423","0.0006","10.8612","0.0005","100.288","0.005","105.696","0.005","110.297","0.006","644.64","0.08","295","","295","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H22 F4 I2 N2 O2 -","- C24 H22 F4 I2 N2 O2 -","- C24 H22 F4 I2 N2 O2 -","1","0.5","","Nemec, Vinko; Fotović, Luka; Vitasović, Toni; Cinčić, Dominik","Halogen bonding of the aldehyde oxygen atom in cocrystals of aromatic aldehydes and 1,4-diiodotetrafluorobenzene","CrystEngComm","2019","21","21","3251","","10.1039/C9CE00340A","","","0.71073","MoKα","","0.0402","0.0308","","","0.0723","0.0773","","","","","","1.143","","","","has coordinates","223692","2020-10-21","18:00:00",""
"7232581","8.4118","0.0003","9.9682","0.0003","15.4809","0.0006","90","","90","","90","","1298.08","0.08","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1,3-Cyclohexanediol, trans-","","- C6 H12 O2 -","- C6 H12 O2 -","- C48 H96 O16 -","8","1","","Vicent-Morales, María; Vitórica-Yrezábal, Iñigo J.; Souto, Manuel; Mínguez Espallargas, Guillermo","Influence of interpenetration on the flexibility of MUV-2","CrystEngComm","2019","21","19","3031","","10.1039/C9CE00233B","","","0.71073","MoKα","","0.0854","0.0439","","","0.1","0.119","","","","","","1.031","","","","has coordinates","223605","2020-10-21","18:00:00",""
"7232586","12.029","0.003","14.609","0.003","11.379","0.002","90","","105.267","0.008","90","","1929.1","0.7","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H8 F6 N4 O4 Pb -","- C19 H8 F6 N4 O4 Pb -","- C76 H32 F24 N16 O16 Pb4 -","4","1","","Wan, Ke-Ke; Yu, Jie-Hui; Xu, Ji-Qing","6,6′-(Perfluoropropane-2,2-diyl)bis(2,3-dihydrophthalazine-1,4-dione)-based coordination polymers and their sensing properties towards Cr2O72−","CrystEngComm","2019","21","19","3086","","10.1039/C9CE00507B","","","0.71073","MoKα","","0.0631","0.0585","","","0.2327","0.2365","","","","","","1.112","","","","has coordinates","223606","2020-10-21","18:00:00",""
"7232587","8.6232","0.001","14.3867","0.0016","20.811","0.002","82.007","0.004","78.332","0.004","89.992","0.004","2502.8","0.5","258","2","258","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H30 Er2 F12 N8 O19 -","- C40 H16 Er2 F12 N8 O19 -","- C80 H32 Er4 F24 N16 O38 -","2","1","","Wan, Ke-Ke; Yu, Jie-Hui; Xu, Ji-Qing","6,6′-(Perfluoropropane-2,2-diyl)bis(2,3-dihydrophthalazine-1,4-dione)-based coordination polymers and their sensing properties towards Cr2O72−","CrystEngComm","2019","21","19","3086","","10.1039/C9CE00507B","","","0.71073","MoKα","","0.0894","0.0698","","","0.1815","0.1943","","","","","","1.12","","","","has coordinates","223606","2020-10-21","18:00:00",""
"7232588","36.599","0.0016","7.4499","0.0003","14.2144","0.0006","90","","101.811","0.003","90","","3793.6","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H10 F6 Mg N4 O5 -","- C19 H8 F6 Mg N4 O5 -","- C152 H64 F48 Mg8 N32 O40 -","8","1","","Wan, Ke-Ke; Yu, Jie-Hui; Xu, Ji-Qing","6,6′-(Perfluoropropane-2,2-diyl)bis(2,3-dihydrophthalazine-1,4-dione)-based coordination polymers and their sensing properties towards Cr2O72−","CrystEngComm","2019","21","19","3086","","10.1039/C9CE00507B","","","0.71073","MoKα","","0.0849","0.0489","","","0.1042","0.1219","","","","","","1.026","","","","has coordinates","223606","2020-10-21","18:00:00",""
"7232589","36.5822","0.0012","7.4122","0.0002","14.3145","0.0005","90","","101.916","0.002","90","","3797.8","0.2","299","2","299","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H10 F6 Fe N4 O5 -","- C19 H8 F6 Fe N4 O5 -","- C152 H64 F48 Fe8 N32 O40 -","8","1","","Wan, Ke-Ke; Yu, Jie-Hui; Xu, Ji-Qing","6,6′-(Perfluoropropane-2,2-diyl)bis(2,3-dihydrophthalazine-1,4-dione)-based coordination polymers and their sensing properties towards Cr2O72−","CrystEngComm","2019","21","19","3086","","10.1039/C9CE00507B","","","0.71073","MoKα","","0.0738","0.0439","","","0.0938","0.1082","","","","","","1.045","","","","has coordinates","223606","2020-10-21","18:00:00",""
"7232590","36.1261","0.001","7.4323","0.0002","14.6837","0.0004","90","","101.086","0.002","90","","3869","0.18","299","2","299","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H10 Cd F6 N4 O5 -","- C19 H8 Cd F6 N4 O5 -","- C152 H64 Cd8 F48 N32 O40 -","8","1","","Wan, Ke-Ke; Yu, Jie-Hui; Xu, Ji-Qing","6,6′-(Perfluoropropane-2,2-diyl)bis(2,3-dihydrophthalazine-1,4-dione)-based coordination polymers and their sensing properties towards Cr2O72−","CrystEngComm","2019","21","19","3086","","10.1039/C9CE00507B","","","0.71073","MoKα","","0.0471","0.0328","","","0.067","0.0735","","","","","","1.056","","","","has coordinates","223606","2020-10-21","18:00:00",""
"7232591","36.737","0.007","7.4036","0.0015","14.345","0.003","90","","102.32","0.03","90","","3811.8","1.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H10 F6 N4 O5 Zn -","- C19 H6 F6 N4 O5 Zn -","- C152 H48 F48 N32 O40 Zn8 -","8","1","","Wan, Ke-Ke; Yu, Jie-Hui; Xu, Ji-Qing","6,6′-(Perfluoropropane-2,2-diyl)bis(2,3-dihydrophthalazine-1,4-dione)-based coordination polymers and their sensing properties towards Cr2O72−","CrystEngComm","2019","21","19","3086","","10.1039/C9CE00507B","","","0.71073","MoKα","","0.0888","0.0803","","","0.2313","0.2349","","","","","","1.107","","","","has coordinates","223606","2020-10-21","18:00:00",""
"7232597","10.373","0.0005","13.4532","0.0006","13.9106","0.0006","83.333","0.002","84.907","0.002","70.842","0.002","1818.66","0.14","200","2","200","2","","","","","","","","5","P -1","-P 1","2","N,N-bis(9-phenyl-9-thioxanthenyl)ethylenediamine:anisole","","","- C47 H40 N2 O S2 -","- C47 H40 N2 O S2 -","- C94 H80 N4 O2 S4 -","2","1","","Barton, Benita; de Jager, Lize; Hosten, Eric C.","Minor modifications afford improved host selectivities in xanthenyl-type host systems","CrystEngComm","2019","21","19","3000","","10.1039/C9CE00265K","","","0.71073","MoKα","","0.0451","0.0352","","","0.0881","0.095","","","","","","1.033","","","","has coordinates","223607","2020-10-21","18:00:00",""
"7232598","8.9125","0.0005","9.0807","0.0005","13.0222","0.0006","90.729","0.002","109.691","0.002","111.869","0.002","909.28","0.09","200","2","200","2","","","","","","","","4","P -1","-P 1","2","N,N-bis(9-phenyl-9-xanthenyl)ethylenediamine:4-methylanisole","","","- C48 H42 N2 O3 -","- C48 H42 N2 O3 -","- C48 H42 N2 O3 -","1","0.5","","Barton, Benita; de Jager, Lize; Hosten, Eric C.","Minor modifications afford improved host selectivities in xanthenyl-type host systems","CrystEngComm","2019","21","19","3000","","10.1039/C9CE00265K","","","0.71073","MoKα","","0.0552","0.0416","","","0.1027","0.1107","","","","","","1.043","","","","has coordinates,has disorder","223607","2020-10-21","18:00:00",""
"7232599","8.9207","0.0004","9.1082","0.0004","12.6652","0.0006","91.979","0.002","107.947","0.002","111.131","0.002","900.79","0.07","200","2","200","2","","","","","","","","4","P -1","-P 1","2","N,N-bis(9-phenyl-9-xanthenyl)ethylenediamine:anisole:water","","","- C47 H40 N2 O3.22 -","- C47 H40 N2 O3.22 -","- C47 H40 N2 O3.22 -","1","0.5","","Barton, Benita; de Jager, Lize; Hosten, Eric C.","Minor modifications afford improved host selectivities in xanthenyl-type host systems","CrystEngComm","2019","21","19","3000","","10.1039/C9CE00265K","","","0.71073","MoKα","","0.0488","0.0414","","","0.1075","0.1141","","","","","","1.036","","","","has coordinates,has disorder","223607","2020-10-21","18:00:00",""
"7232600","10.5144","0.0006","13.7009","0.0007","13.7121","0.0007","84.337","0.002","70.982","0.002","87.993","0.002","1858.38","0.17","200","2","200","2","","","","","","","","5","P -1","-P 1","2","N,N-bis(9-phenyl-9-thioxanthenyl)ethylenediamine:4-methylanisole","","","- C48 H42 N2 O S2 -","- C48 H42 N2 O S2 -","- C96 H84 N4 O2 S4 -","2","1","","Barton, Benita; de Jager, Lize; Hosten, Eric C.","Minor modifications afford improved host selectivities in xanthenyl-type host systems","CrystEngComm","2019","21","19","3000","","10.1039/C9CE00265K","","","0.71073","MoKα","","0.0541","0.0441","","","0.1171","0.1271","","","","","","1.024","","","","has coordinates,has disorder","223607","2020-10-21","18:00:00",""
"7232601","9.0063","0.0004","9.1151","0.0004","12.6154","0.0005","92.511","0.002","106.59","0.002","112.306","0.002","904.63","0.07","200","2","200","2","","","","","","","","4","P -1","-P 1","2","N,N-bis(9-phenyl-9-xanthenyl)ethylenediamine:p-xylene","","","- C48 H42 N2 O2 -","- C48 H42 N2 O2 -","- C48 H42 N2 O2 -","1","0.5","","Barton, Benita; de Jager, Lize; Hosten, Eric C.","Minor modifications afford improved host selectivities in xanthenyl-type host systems","CrystEngComm","2019","21","19","3000","","10.1039/C9CE00265K","","","0.71073","MoKα","","0.0577","0.0425","","","0.1025","0.1115","","","","","","1.032","","","","has coordinates","223607","2020-10-21","18:00:00",""
"7232602","10.5363","0.0006","13.6858","0.0007","13.71","0.0007","95.756","0.002","108.128","0.002","90.207","0.002","1868.08","0.17","200","2","200","2","","","","","","","","5","P -1","-P 1","2","N,N-bis(9-phenyl-9-thioxanthenyl)ethylenediamine:3-methylanisole","","","- C48 H42 N2 O S2 -","- C48 H42 N2 O S2 -","- C96 H84 N4 O2 S4 -","2","1","","Barton, Benita; de Jager, Lize; Hosten, Eric C.","Minor modifications afford improved host selectivities in xanthenyl-type host systems","CrystEngComm","2019","21","19","3000","","10.1039/C9CE00265K","","","0.71073","MoKα","","0.0443","0.0354","","","0.0897","0.0959","","","","","","1.033","","","","has coordinates","223607","2020-10-21","18:00:00",""
"7232603","9.2867","0.0007","10.2931","0.0008","10.7281","0.0008","90.623","0.001","99.019","0.001","102.689","0.001","986.98","0.13","296","2","296.15","","","","","","","","","3","P -1","-P 1","2","","","","- Mo8 O45 Tm2 -","- Mo8 O45 Tm2 -","- Mo8 O45 Tm2 -","1","0.5","","Zhao, Yanxin; Chen, Shumin; Ji, Yanfang; Singh, Vikram; Ma, Pengtao; Lu, Jingkun; Niu, Jingyang; Wang, Jingping","Ln(iii)-Containing polyoxomolybdates based on β-{Mo8O28}: microwave synthesis and optical and magnetic properties","CrystEngComm","2019","21","23","3627","","10.1039/C9CE00229D","","","0.71073","MoKα","","0.0269","0.0256","","","0.0669","0.0677","","","","","","1.054","","","","has coordinates","223689","2020-10-21","18:00:00",""
"7232604","9.2905","0.0012","10.3007","0.0013","10.7373","0.0014","90.642","0.002","98.969","0.002","102.623","0.002","989.4","0.2","296","2","296.15","","","","","","","","","3","P -1","-P 1","2","","","","- Er2 Mo8 O45 -","- Er2 Mo8 O45 -","- Er2 Mo8 O45 -","1","0.5","","Zhao, Yanxin; Chen, Shumin; Ji, Yanfang; Singh, Vikram; Ma, Pengtao; Lu, Jingkun; Niu, Jingyang; Wang, Jingping","Ln(iii)-Containing polyoxomolybdates based on β-{Mo8O28}: microwave synthesis and optical and magnetic properties","CrystEngComm","2019","21","23","3627","","10.1039/C9CE00229D","","","0.71073","MoKα","","0.0532","0.0398","","","0.1067","0.1189","","","","","","0.869","","","","has coordinates","223689","2020-10-21","18:00:00",""
"7232605","3.7455","0.0003","10.533","0.0006","21.5313","0.0012","90","","94.556","0.006","90","","846.75","0.1","250","","250","","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C14 H18 B2 N2 O10 -","- C14 H18 B2 N2 O10 -","- C28 H36 B4 N4 O20 -","2","0.25","","Fornasari, Luca; d'Agostino, Simone; Braga, Dario","Supramolecular zwitterions based on a novel boronic acid‒squarate dianion synthon","CrystEngComm","2019","21","20","3186","","10.1039/C9CE00367C","","x-ray","0.71073","MoKα","","0.0415","0.0375","","","0.1024","0.1059","","","","","","1.079","","","","has coordinates","223623","2020-10-21","18:00:00",""
"7232606","12.3874","0.0006","10.7643","0.0004","8.761","0.0004","90","","98.765","0.005","90","","1154.56","0.09","298.15","","298.15","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C24 H22 B2 N4 O8 -","- C24 H22 B2 N4 O8 -","- C48 H44 B4 N8 O16 -","2","0.25","","Fornasari, Luca; d'Agostino, Simone; Braga, Dario","Supramolecular zwitterions based on a novel boronic acid‒squarate dianion synthon","CrystEngComm","2019","21","20","3186","","10.1039/C9CE00367C","","x-ray","0.71073","MoKα","","0.0601","0.0463","","","0.1125","0.1199","","","","","","1.066","","","","has coordinates,has disorder","223623","2020-10-21","18:00:00",""
"7232607","3.9208","0.0004","10.445","0.0009","29.717","0.003","90","","90.34","0.009","90","","1217","0.2","298.15","","298.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 B2 N2 O10 -","- C26 H26 B2 N2 O10 -","- C52 H52 B4 N4 O20 -","2","0.5","","Fornasari, Luca; d'Agostino, Simone; Braga, Dario","Supramolecular zwitterions based on a novel boronic acid‒squarate dianion synthon","CrystEngComm","2019","21","20","3186","","10.1039/C9CE00367C","","x-ray","0.71073","MoKα","","0.0895","0.0574","","","0.1387","0.1677","","","","","","1.014","","","","has coordinates","223623","2020-10-21","18:00:00",""
"7232608","10.5211","0.0005","21.0309","0.0009","7.6551","0.0004","90","","99.368","0.005","90","","1671.24","0.14","298.15","","298.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 B2 N2 O9 -","- C14 H16 B2 N2 O9 -","- C56 H64 B8 N8 O36 -","4","1","","Fornasari, Luca; d'Agostino, Simone; Braga, Dario","Supramolecular zwitterions based on a novel boronic acid‒squarate dianion synthon","CrystEngComm","2019","21","20","3186","","10.1039/C9CE00367C","","x-ray","0.71073","MoKα","","0.096","0.0514","","","0.1082","0.1298","","","","","","1.014","","","","has coordinates","223623","2020-10-21","18:00:00",""
"7232609","17.7131","0.0009","7.5346","0.0004","16.195","0.0008","90","","90","","90","","2161.4","0.19","296","2","296","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C20 H16 Br2 Co N4 S2 -","- C20 H16 Br2 Co N4 S2 -","- C80 H64 Br8 Co4 N16 S8 -","4","0.5","","Shi, Le; Shen, Fu-Xing; Shao, Dong; Zhang, Yi-Quan; Wang, Xin-Yi","Syntheses, structures, and magnetic properties of three two-dimensional cobalt(ii) single-ion magnets with a CoIIN4X2 octahedral geometry","CrystEngComm","2019","21","20","3176","","10.1039/C9CE00030E","","","0.71073","MoKα","","0.0301","0.0257","","","0.0643","0.0669","","","","","","1.07","","","","has coordinates","223621","2020-10-21","18:00:00",""
"7232610","12.8028","0.0005","18.2985","0.0007","25.461","0.001","90","","90","","90","","5964.8","0.4","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C20 H28 Co I2 N4 O6 S2 -","- C20 H28 Co I2 N4 O6 S2 -","- C160 H224 Co8 I16 N32 O48 S16 -","8","1","","Shi, Le; Shen, Fu-Xing; Shao, Dong; Zhang, Yi-Quan; Wang, Xin-Yi","Syntheses, structures, and magnetic properties of three two-dimensional cobalt(ii) single-ion magnets with a CoIIN4X2 octahedral geometry","CrystEngComm","2019","21","20","3176","","10.1039/C9CE00030E","","","0.71073","MoKα","","0.0457","0.0295","","","0.0581","0.0637","","","","","","1.043","","","","has coordinates","223621","2020-10-21","18:00:00",""
"7232618","20.6948","0.0009","19.1425","0.0007","7.5103","0.0002","90","","92.828","0.002","90","","2971.58","0.19","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","triiodidobis(acetonitrile)hexacopper(I)","","- C22 H21 Cu6 I3 N2 S3 -","- C22 H21 Cu6 I3 N2 S3 -","- C88 H84 Cu24 I12 N8 S12 -","4","1","","Troyano, Javier; Castillo, Óscar; Amo-Ochoa, Pilar; Martínez, J. Ignacio; Zamora, Félix; Delgado, Salomé","Reversible transformation between Cu(i)-thiophenolate coordination polymers displaying luminescence and electrical properties","CrystEngComm","2019","21","20","3232","","10.1039/C9CE00313D","","x-ray","0.71073","MoKα","","0.0956","0.0446","","","0.0864","0.1041","","","","","","1.014","","","","has coordinates","223619","2020-10-21","18:00:00",""
"7232619","18.636","0.003","14.5547","0.0019","27.872","0.004","90","","92.464","0.002","90","","7553.1","1.9","293","","293","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C84 H68 Au Br1.74 Cl0.26 O4 P3 S4 -","- C84 H68 Au Br1.7404 Cl0.2596 O4 P3 S4 -","- C336 H272 Au4 Br6.9616 Cl1.0384 O16 P12 S16 -","4","1","","Yokomori, So; Ueda, Akira; Higashino, Toshiki; Kumai, Reiji; Murakami, Youichi; Mori, Hatsumi","Construction of three-dimensional anionic molecular frameworks based on hydrogen-bonded metal dithiolene complexes and the crystal solvent effect","CrystEngComm","2019","21","18","2940","","10.1039/C9CE00364A","","","0.71073","MoKα","","0.0978","0.0553","","","0.1224","0.1467","","","","","","1.067","","","","has coordinates","223685","2020-10-21","18:00:00",""
"7232620","24.0138","0.0004","7.3818","0.0004","25.0096","0.0007","90","","110.872","0.0007","90","","4142.4","0.3","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H44 Au O6 P S4 -","- C44 H44 Au O6 P S4 -","- C176 H176 Au4 O24 P4 S16 -","4","0.5","","Yokomori, So; Ueda, Akira; Higashino, Toshiki; Kumai, Reiji; Murakami, Youichi; Mori, Hatsumi","Construction of three-dimensional anionic molecular frameworks based on hydrogen-bonded metal dithiolene complexes and the crystal solvent effect","CrystEngComm","2019","21","18","2940","","10.1039/C9CE00364A","","","0.68889","synchrotron","","0.0542","0.0289","","","0.0668","0.0895","","","","","","0.95","","","","has coordinates,has disorder","223685","2020-10-21","18:00:00",""
"7232621","7.4715","0.0017","16.423","0.004","27.825","0.007","90","","90.076","0.003","90","","3414.2","1.4","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H29 Au O4.5 P S4 -","- C36 H28 Au O4.5 P S4 -","- C144 H112 Au4 O18 P4 S16 -","4","1","","Yokomori, So; Ueda, Akira; Higashino, Toshiki; Kumai, Reiji; Murakami, Youichi; Mori, Hatsumi","Construction of three-dimensional anionic molecular frameworks based on hydrogen-bonded metal dithiolene complexes and the crystal solvent effect","CrystEngComm","2019","21","18","2940","","10.1039/C9CE00364A","","","0.71073","MoKα","","0.0595","0.0462","","","0.1094","0.1177","","","","","","1.117","","","","has coordinates,has disorder","223685","2020-10-21","18:00:00",""
"7232622","10.783","0.003","14.172","0.004","16.481","0.005","65.051","0.008","80.38","0.013","79.305","0.014","2232.7","1.1","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H38 Au O5 P S4 -","- C40 H38 Au O5 P S4 -","- C80 H76 Au2 O10 P2 S8 -","2","1","","Yokomori, So; Ueda, Akira; Higashino, Toshiki; Kumai, Reiji; Murakami, Youichi; Mori, Hatsumi","Construction of three-dimensional anionic molecular frameworks based on hydrogen-bonded metal dithiolene complexes and the crystal solvent effect","CrystEngComm","2019","21","18","2940","","10.1039/C9CE00364A","","","0.71073","MoKα","","0.0614","0.0431","","","0.1028","0.1154","","","","","","0.994","","","","has coordinates,has disorder","223685","2020-10-21","18:00:00",""
"7232623","5.235","0.0004","10.451","0.0009","13.2627","0.0011","80.451","0.003","85.302","0.003","83.095","0.003","708.95","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H15 N5 O5 S2 -","- C9 H15 N5 O5 S2 -","- C18 H30 N10 O10 S4 -","2","1","","Song, Yu; Wang, Ling-Yang; Liu, Fang; Li, Yan-Tuan; Wu, Zhi-Yong; Yan, Cui-Wei","Simultaneously enhancing the in vitro/in vivo performances of acetazolamide using proline as a zwitterionic coformer for cocrystallization","CrystEngComm","2019","21","19","3064","","10.1039/C9CE00270G","","","0.71073","MoKα","","0.0664","0.0505","","","0.1285","0.1389","","","","","","1.059","","","","has coordinates","223602","2020-10-21","18:00:00",""
"7232624","21.074","0.004","12.547","0.003","14.06","0.003","90","","105.68","0.03","90","","3579.3","1.4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H38 Cl2 N2 O8 -","- C40 H38 Cl2 N2 O8 -","- C160 H152 Cl8 N8 O32 -","4","1","","Emerson, Adrian J.; Knowles, Gregory P.; Chaffee, Alan L.; Batten, Stuart R.; Turner, David R.","p-Xylylenediamine derived ligands as flexible connectors in the design of porous coordination polymers","CrystEngComm","2019","21","19","3074","","10.1039/C9CE00371A","","","0.7108","Synchrotron","","0.0777","0.0736","","","0.1923","0.194","","","","","","1.181","","","","has coordinates","223604","2020-10-21","18:00:00",""
"7232625","14.101","0.003","16.998","0.003","21.305","0.004","72.5","0.03","88.77","0.03","85.34","0.03","4854.1","1.8","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C89 H93 Co4 N7 O23 -","- C89 H93 Co4 N7 O23 -","- C178 H186 Co8 N14 O46 -","2","1","","Emerson, Adrian J.; Knowles, Gregory P.; Chaffee, Alan L.; Batten, Stuart R.; Turner, David R.","p-Xylylenediamine derived ligands as flexible connectors in the design of porous coordination polymers","CrystEngComm","2019","21","19","3074","","10.1039/C9CE00371A","","","0.7108","Synchrotron","","0.1208","0.0873","","","0.2379","0.2613","","","","","","1.032","","","","has coordinates","223604","2020-10-21","18:00:00",""
"7232626","16.204","0.004","13.645","0.005","22.195","0.004","90","","93.12","0.03","90","","4900","2","100","2","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 Cu N O5 -","- C20 H18 Cu N O5 -","- C160 H144 Cu8 N8 O40 -","8","1","","Emerson, Adrian J.; Knowles, Gregory P.; Chaffee, Alan L.; Batten, Stuart R.; Turner, David R.","p-Xylylenediamine derived ligands as flexible connectors in the design of porous coordination polymers","CrystEngComm","2019","21","19","3074","","10.1039/C9CE00371A","","","0.7108","Synchrotron","","0.1669","0.1361","","","0.3374","0.3617","","","","","","1.131","","","","has coordinates","223604","2020-10-21","18:00:00",""
"7232627","25.007","0.005","34.875","0.007","16.063","0.003","90","","107.55","0.03","90","","13357","5","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H48 Cu2 N4 O11 -","- C46 H48 Cu2 N4 O11 -","- C368 H384 Cu16 N32 O88 -","8","1","","Emerson, Adrian J.; Knowles, Gregory P.; Chaffee, Alan L.; Batten, Stuart R.; Turner, David R.","p-Xylylenediamine derived ligands as flexible connectors in the design of porous coordination polymers","CrystEngComm","2019","21","19","3074","","10.1039/C9CE00371A","","","0.7108","Synchrotron","","0.1204","0.0812","","","0.2369","0.2629","","","","","","1.041","","","","has coordinates","223604","2020-10-21","18:00:00",""
"7232628","19.276","0.004","13.237","0.003","19.747","0.004","90","","95.04","0.03","90","","5019.1","1.9","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H36 Cd2 N2 O10 -","- C40 H36 Cd2 N2 O10 -","- C160 H144 Cd8 N8 O40 -","4","1","","Emerson, Adrian J.; Knowles, Gregory P.; Chaffee, Alan L.; Batten, Stuart R.; Turner, David R.","p-Xylylenediamine derived ligands as flexible connectors in the design of porous coordination polymers","CrystEngComm","2019","21","19","3074","","10.1039/C9CE00371A","","","0.7108","Synchrotron","","0.1559","0.109","","","0.3039","0.3355","","","","","","1.051","","","","has coordinates","223604","2020-10-21","18:00:00",""
"7232629","8.865","0.0018","10.969","0.002","12.44","0.003","74.58","0.03","88.22","0.03","87.34","0.03","1164.6","0.5","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H25 Mn N2 O5 -","- C24 H25 Mn N2 O5 -","- C48 H50 Mn2 N4 O10 -","2","1","","Emerson, Adrian J.; Knowles, Gregory P.; Chaffee, Alan L.; Batten, Stuart R.; Turner, David R.","p-Xylylenediamine derived ligands as flexible connectors in the design of porous coordination polymers","CrystEngComm","2019","21","19","3074","","10.1039/C9CE00371A","","","0.7108","Synchrotron","","0.0621","0.0564","","","0.1463","0.1515","","","","","","1.049","","","","has coordinates","223604","2020-10-21","18:00:00",""
"7232630","10.954","0.002","13.627","0.003","14.312","0.003","101.03","0.03","106.14","0.03","94.29","0.03","1995.6","0.8","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C43 H40 Cu2 N3 O9.5 -","- C43 H40 Cu2 N3 O9.5 -","- C86 H80 Cu4 N6 O19 -","2","1","","Emerson, Adrian J.; Knowles, Gregory P.; Chaffee, Alan L.; Batten, Stuart R.; Turner, David R.","p-Xylylenediamine derived ligands as flexible connectors in the design of porous coordination polymers","CrystEngComm","2019","21","19","3074","","10.1039/C9CE00371A","","","0.7108","Synchrotron","","0.1077","0.0657","","","0.1659","0.1961","","","","","","1.024","","","","has coordinates,has disorder","223604","2020-10-21","18:00:00",""
"7232655","10.2009","0.0008","11.2819","0.0008","14.59","0.0012","100.549","0.003","98.728","0.005","95.222","0.005","1619.4","0.2","270","","270","","","","","","","","","4","P -1","-P 1","2","","","","- C92 H72 N4 O8 -","- C92 H72 N4 O8 -","- C92 H72 N4 O8 -","1","0.5","","Sato, Ryonosuke; Yoo, Dongho; Mori, Takehiko","1 : 2 charge-transfer complexes of perylene and coronene with perylene diimide, and the ambipolar transistors","CrystEngComm","2019","21","20","3218","","10.1039/C9CE00456D","","","1.54187","CuKα","","0.1499","0.0915","","","0.2213","0.278","","","","","","0.864","","","","has coordinates","223622","2020-10-21","18:00:00",""
"7232656","10.51253","0.00019","11.3405","0.0002","14.6657","0.0003","98.3194","0.0009","100.576","0.0009","98.4908","0.0009","1673.12","0.06","270","","270","","","","","","","","","4","P -1","-P 1","2","","","","- C96 H72 N4 O8 -","- C96 H72 N4 O8 -","- C96 H72 N4 O8 -","1","0.5","","Sato, Ryonosuke; Yoo, Dongho; Mori, Takehiko","1 : 2 charge-transfer complexes of perylene and coronene with perylene diimide, and the ambipolar transistors","CrystEngComm","2019","21","20","3218","","10.1039/C9CE00456D","","","1.54187","CuKα","","0.1282","0.0659","","","0.1124","0.1406","","","","","","0.827","","","","has coordinates","223622","2020-10-21","18:00:00",""
"7232657","20.076","0.005","19.744","0.004","14.25","0.003","90","","133.285","0.006","90","","4111.8","1.6","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C29 H37 N9 O11 Zn2 -","- C18 H8 N5 O8 Zn2 -","- C72 H32 N20 O32 Zn8 -","4","0.5","","Zou, Lifei; Yuan, Jiaqi; Yuan, Yang; Gu, Jiaming; Li, Guanghua; Zhang, Lirong; Liu, Yunling","A Zn(ii) metal‒organic framework constructed by a mixed-ligand strategy for CO2 capture and gas separation","CrystEngComm","2019","21","21","3289","","10.1039/C9CE00343F","","","0.71073","MoKα","","0.0454","0.0306","","","0.0846","0.0917","","","","","","1.041","","","","has coordinates,has disorder","223694","2020-10-21","18:00:00",""
"7232658","13.779","0.0003","6.8067","0.0001","42.0629","0.0008","90","","97.22","0.001","90","","3913.78","0.13","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H21 N3 O5 -","- C21 H21 N3 O5 -","- C168 H168 N24 O40 -","8","1","","Sugiyama, Haruki; Johmoto, Kohei; Sekine, Akiko; Uekusa, Hidehiro","Reversible on/off switching of photochromic properties in N-salicylideneaniline co-crystals by heating and humidification","CrystEngComm","2019","21","20","3170","","10.1039/C9CE00442D","","","1.54186","CuKα","","0.0511","0.0412","","","0.1206","0.1245","","","","","","1.147","","","","has coordinates","223624","2020-10-21","18:00:00",""
"7232659","7.911","0.0001","11.6159","0.0002","40.0826","0.0007","90","","90","","90","","3683.33","0.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H19 N3 O4 -","- C21 H19 N3 O4 -","- C168 H152 N24 O32 -","8","1","","Sugiyama, Haruki; Johmoto, Kohei; Sekine, Akiko; Uekusa, Hidehiro","Reversible on/off switching of photochromic properties in N-salicylideneaniline co-crystals by heating and humidification","CrystEngComm","2019","21","20","3170","","10.1039/C9CE00442D","","","1.54186","CuKα","","0.0668","0.0471","","","0.1261","0.1527","","","","","","1.133","","","","has coordinates","223624","2020-10-21","18:00:00",""
"7232661","8.403","0.0014","10.9764","0.0018","20.319","0.003","99.433","0.002","94.128","0.002","109.784","0.002","1723.2","0.5","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H59 N7 O2 -","- C34 H59 N7 O2 -","- C68 H118 N14 O4 -","2","1","","Kimijima, Ayaka; Honda, Akinori; Nomoto, Kuniharu; Miyamura, Kazuo","Cold crystallization in the mixed system of adenine and thymine dodecyl derivatives","CrystEngComm","2019","21","20","3142","","10.1039/C9CE00407F","","","0.71073","MoKα","","0.1122","0.0652","","","0.1631","0.1955","","","","","","0.993","","","","has coordinates","223617","2020-10-21","18:00:00",""
"7232662","9.8795","0.0011","22.045","0.002","11.3775","0.0012","90","","114.823","0.002","90","","2249","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H18 N6 O5 Zn -","- C23 H18 N6 O5 Zn -","- C92 H72 N24 O20 Zn4 -","4","1","","Song, Jian-Biao; Liu, Gui-lei; Hao, Liang; Zhang, Fang; Li, Hui","Crystal structures and luminescence properties of a D‒A type CIEgen and its Zn(ii) complexes","CrystEngComm","2019","21","21","3322","","10.1039/C9CE00534J","","","0.71073","MoKα","","0.0359","0.0302","","","0.0895","0.0926","","","","","","1.06","","","","has coordinates","223693","2020-10-21","18:00:00",""
"7232663","19.4386","0.0013","11.5018","0.0008","13.4225","0.0009","90","","131.941","0.002","90","","2232.2","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H24 N4 O6 -","- C22 H24 N4 O6 -","- C88 H96 N16 O24 -","4","0.5","","Song, Jian-Biao; Liu, Gui-lei; Hao, Liang; Zhang, Fang; Li, Hui","Crystal structures and luminescence properties of a D‒A type CIEgen and its Zn(ii) complexes","CrystEngComm","2019","21","21","3322","","10.1039/C9CE00534J","","","0.71073","MoKα","","0.095","0.067","","","0.1839","0.2137","","","","","","1.029","","","","has coordinates","223693","2020-10-21","18:00:00",""
"7232664","12.02","0.002","16.434","0.003","14.413","0.003","90","","98.58","0.03","90","","2815.2","0.9","152","2","152","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29.5 H24 N6 O5.5 Zn -","- C29.5 H24 N6 O5.5 Zn -","- C118 H96 N24 O22 Zn4 -","4","1","","Song, Jian-Biao; Liu, Gui-lei; Hao, Liang; Zhang, Fang; Li, Hui","Crystal structures and luminescence properties of a D‒A type CIEgen and its Zn(ii) complexes","CrystEngComm","2019","21","21","3322","","10.1039/C9CE00534J","","","0.71073","MoKα","","0.0569","0.043","","","0.1073","0.1155","","","","","","1.044","","","","has coordinates","223693","2020-10-21","18:00:00",""
"7232665","9.1075","0.0008","11.8822","0.0011","15.5502","0.0014","80.532","0.003","74.179","0.003","74.763","0.003","1554.3","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 Eu2 N2 O18 -","- C26 Eu2 N2 O18 -","- C52 Eu4 N4 O36 -","2","1","","Song, Liping; Liu, Wei; Wang, Yanlong; Chen, Lanhua; Wang, Xiao-Feng; Wang, Shuao","A hydrolytically stable europium‒organic framework for the selective detection of radioactive Th4+ in aqueous solution","CrystEngComm","2019","21","22","3471","","10.1039/C9CE00241C","","","0.71073","MoKα","","0.0353","0.0305","","","0.0882","0.1001","","","","","","1.196","","","","has coordinates","223492","2020-10-21","18:00:00",""
"7232666","18.5984","0.0009","18.5984","0.0009","38.5338","0.0018","90","","90","","120","","11543.1","1","100","2","100","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- C24 H18 Cu2 O10 -","- C24 H18 Cu2 O10 -","- C216 H162 Cu18 O90 -","9","0.25","","He, Minghui; Xu, Tingting; Jiang, Zhenzhen; Yu, Xinjian; Zou, Ying; Yang, Luyao; Wang, Xiaojuan; Wang, Xia; He, Yabing","Two copper-based MOFs constructed from a linear diisophthalate linker: supramolecular isomerism and gas adsorption properties","CrystEngComm","2019","21","20","3192","","10.1039/C9CE00359B","","","0.71073","MoKα","","0.0634","0.0511","","","0.1733","0.1868","","","","","","1.034","","","","has coordinates,has disorder","223620","2020-10-21","18:00:00",""
"7232667","18.826","0.0008","18.826","0.0008","27.3427","0.0012","90","","90","","90","","9690.8","0.7","100","2","100","2","","","","","","","","4","P 42/m n m","-P 4n 2n","136","","","","- C24 H18 Cu2 O10 -","- C24 H14 Cu2 O10 -","- C192 H112 Cu16 O80 -","8","0.5","","He, Minghui; Xu, Tingting; Jiang, Zhenzhen; Yu, Xinjian; Zou, Ying; Yang, Luyao; Wang, Xiaojuan; Wang, Xia; He, Yabing","Two copper-based MOFs constructed from a linear diisophthalate linker: supramolecular isomerism and gas adsorption properties","CrystEngComm","2019","21","20","3192","","10.1039/C9CE00359B","","","0.71073","MoKα","","0.0843","0.0726","","","0.308","0.3394","","","","","","1.075","","","","has coordinates","223620","2020-10-21","18:00:00",""
"7232673","15.1625","0.0009","10.8096","0.0006","43.139","0.003","90","","90","","90","","7070.5","0.8","112","2","112","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C38 H48 N2 O2 S2 -","- C38 H48 N2 O2 S2 -","- C304 H384 N16 O16 S16 -","8","1","","Saccone, Marco; Riebe, Steffen; Stelzer, Jacqueline; Wölper, Christoph; Daniliuc, Constantin G.; Voskuhl, Jens; Giese, Michael","Structure‒property relationships in aromatic thioethers featuring aggregation-induced emission: solid-state structures and theoretical analysis","CrystEngComm","2019","21","19","3097","","10.1039/C9CE00444K","","","1.54178","CuKα","","0.0727","0.067","","","0.1372","0.14","","","","","","1.175","","","","has coordinates","223603","2020-10-21","18:00:00",""
"7232674","13.8935","0.0006","15.9032","0.0007","15.2978","0.0007","90","","108.757","0.002","90","","3200.6","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H44 N2 O4 -","- C36 H44 N2 O4 -","- C144 H176 N8 O16 -","4","2","","Saccone, Marco; Riebe, Steffen; Stelzer, Jacqueline; Wölper, Christoph; Daniliuc, Constantin G.; Voskuhl, Jens; Giese, Michael","Structure‒property relationships in aromatic thioethers featuring aggregation-induced emission: solid-state structures and theoretical analysis","CrystEngComm","2019","21","19","3097","","10.1039/C9CE00444K","","","1.54178","CuKα","","0.0398","0.0353","","","0.0867","0.0894","","","","","","1.054","","","","has coordinates,has disorder","223603","2020-10-21","18:00:00",""
"7232675","5.3026","0.0008","9.7451","0.0014","15.944","0.002","98.317","0.003","94.448","0.003","92.455","0.003","811.6","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H44 N2 O2 S2 -","- C36 H44 N2 O2 S2 -","- C36 H44 N2 O2 S2 -","1","0.5","","Saccone, Marco; Riebe, Steffen; Stelzer, Jacqueline; Wölper, Christoph; Daniliuc, Constantin G.; Voskuhl, Jens; Giese, Michael","Structure–property relationships in aromatic thioethers featuring aggregation-induced emission: solid-state structures and theoretical analysis","CrystEngComm","2019","21","19","3097","","10.1039/C9CE00444K","","","0.71073","Mo-Kα","","0.0519","0.0398","","","0.1002","0.1071","","","","","","1.04","","","","has coordinates","276356","2022-06-28","17:11:38",""
"7232676","5.335","0.0009","9.684","0.0012","16.482","0.0018","73.861","0.005","84.239","0.007","88.632","0.009","813.83","0.19","80","2","80","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H44 N2 O2 S2 -","- C36 H44 N2 O2 S2 -","- C36 H44 N2 O2 S2 -","1","0.5","","Saccone, Marco; Riebe, Steffen; Stelzer, Jacqueline; Wölper, Christoph; Daniliuc, Constantin G.; Voskuhl, Jens; Giese, Michael","Structure–property relationships in aromatic thioethers featuring aggregation-induced emission: solid-state structures and theoretical analysis","CrystEngComm","2019","21","19","3097","","10.1039/C9CE00444K","","","0.5636","synchrotron","","0.0348","0.0339","","","0.0951","0.0961","","","","","","1.064","","","","has coordinates","276356","2022-06-28","17:11:41",""
"7232677","9.1924","0.0004","18.5092","0.0008","29.8277","0.0012","98.893","0.002","94.559","0.002","90.651","0.002","4996.7","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H44 N2 O2 S2 -","- C36 H44 N2 O2 S2 -","- C216 H264 N12 O12 S12 -","6","3","","Saccone, Marco; Riebe, Steffen; Stelzer, Jacqueline; Wölper, Christoph; Daniliuc, Constantin G.; Voskuhl, Jens; Giese, Michael","Structure‒property relationships in aromatic thioethers featuring aggregation-induced emission: solid-state structures and theoretical analysis","CrystEngComm","2019","21","19","3097","","10.1039/C9CE00444K","","","0.71073","MoKα","","0.0997","0.0612","","","0.1277","0.148","","","","","","1.121","","","","has coordinates,has disorder","223603","2020-10-21","18:00:00",""
"7232678","9.8106","0.0003","15.2713","0.0006","14.7499","0.0006","90","","102.098","0.004","90","","2160.76","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 Li N4 O5 -","- C22 H24 Li N4 O5 -","- C88 H96 Li4 N16 O20 -","4","1","","Yan, Bingjia; Horton, Peter N.; Russell, Andrea E.; Wedge, Christopher J.; Weston, Simon C.; Grossel, Martin C.","Crown ether alkali metal TCNQ complexes revisited ‒ the impact of smaller cation complexes on their solid-state architecture and properties","CrystEngComm","2019","21","21","3273","","10.1039/C9CE00234K","","x-ray","0.71075","MoKα","","0.087","0.0454","","","0.0789","0.0905","","","","","","1.017","","","","has coordinates","223691","2020-10-21","18:00:00",""
"7232679","9.2736","0.0006","11.0659","0.0007","11.868","0.0006","83.741","0.005","89.921","0.004","68.591","0.006","1126.14","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H48 N8 Na2 O10 -","- C44 H48 N8 Na2 O10 -","- C44 H48 N8 Na2 O10 -","1","0.5","","Yan, Bingjia; Horton, Peter N.; Russell, Andrea E.; Wedge, Christopher J.; Weston, Simon C.; Grossel, Martin C.","Crown ether alkali metal TCNQ complexes revisited ‒ the impact of smaller cation complexes on their solid-state architecture and properties","CrystEngComm","2019","21","21","3273","","10.1039/C9CE00234K","","x-ray","0.71075","MoKα","","0.1133","0.0576","","","0.1057","0.1242","","","","","","1.001","","","","has coordinates","223691","2020-10-21","18:00:00",""
"7232680","8.3408","0.0004","12.4515","0.0006","16.7083","0.0009","102.611","0.004","92.029","0.004","99.896","0.004","1663.38","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H30 N8 Na O6 -","- C34 H30 N8 Na O6 -","- C68 H60 N16 Na2 O12 -","2","1","","Yan, Bingjia; Horton, Peter N.; Russell, Andrea E.; Wedge, Christopher J.; Weston, Simon C.; Grossel, Martin C.","Crown ether alkali metal TCNQ complexes revisited ‒ the impact of smaller cation complexes on their solid-state architecture and properties","CrystEngComm","2019","21","21","3273","","10.1039/C9CE00234K","","x-ray","0.71075","MoKα","","0.1466","0.1083","","","0.1871","0.2025","","","","","","1.224","","","","has coordinates,has disorder","223691","2020-10-21","18:00:00",""
"7232681","23.6351","0.0002","8.1777","0.0001","26.7566","0.0003","90","","98.007","0.001","90","","5121.12","0.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H56 K2 N8 O12 -","- C48 H56 K2 N8 O12 -","- C192 H224 K8 N32 O48 -","4","0.5","","Yan, Bingjia; Horton, Peter N.; Russell, Andrea E.; Wedge, Christopher J.; Weston, Simon C.; Grossel, Martin C.","Crown ether alkali metal TCNQ complexes revisited ‒ the impact of smaller cation complexes on their solid-state architecture and properties","CrystEngComm","2019","21","21","3273","","10.1039/C9CE00234K","","x-ray","0.71075","MoKα","","0.0272","0.0252","","","0.0665","0.0679","","","","","","1.033","","","","has coordinates","223691","2020-10-21","18:00:00",""
"7232682","8.3032","0.0005","12.43","0.0007","16.5807","0.0012","97.615","0.005","100.354","0.005","100.015","0.005","1633.89","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H30 Li N8 O6 -","- C34 H30 Li N8 O6 -","- C68 H60 Li2 N16 O12 -","2","1","","Yan, Bingjia; Horton, Peter N.; Russell, Andrea E.; Wedge, Christopher J.; Weston, Simon C.; Grossel, Martin C.","Crown ether alkali metal TCNQ complexes revisited ‒ the impact of smaller cation complexes on their solid-state architecture and properties","CrystEngComm","2019","21","21","3273","","10.1039/C9CE00234K","","x-ray","0.71075","MoKα","","0.1523","0.0767","","","0.1662","0.1938","","","","","","1.047","","","","has coordinates","223691","2020-10-21","18:00:00",""
"7232683","8.9568","0.0001","10.4462","0.0002","19.2221","0.0003","95.594","0.002","91.222","0.001","92.512","0.002","1787.63","0.05","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","N-(triphenylacetyl)glycine","","- C22 H19 N O3 -","- C22 H19 N O3 -","- C88 H76 N4 O12 -","4","2","","Bendzińska-Berus, Wioletta; Jelecki, Maciej; Kwit, Marcin; Rychlewska, Urszula","Transfer of chirality in N-triphenylacetylamino acids and chiral derivatives of N-triphenylacetyl Gly‒Gly dipeptide and control of their assembly with steric constraints","CrystEngComm","2019","21","22","3420","","10.1039/C9CE00429G","","","1.54178","CuKα","","0.045","0.0434","","","0.1167","0.1185","","","","","","1.038","","","","has coordinates","223495","2020-10-21","18:00:00",""
"7232684","13.1517","0.0002","9.5286","0.0001","15.2352","0.0002","90","","91.793","0.001","90","","1908.3","0.04","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-(triphenylacetyl)-L-alanine","","- C23 H21 N O3 -","- C23 H21 N O3 -","- C92 H84 N4 O12 -","4","2","","Bendzińska-Berus, Wioletta; Jelecki, Maciej; Kwit, Marcin; Rychlewska, Urszula","Transfer of chirality in N-triphenylacetylamino acids and chiral derivatives of N-triphenylacetyl Gly‒Gly dipeptide and control of their assembly with steric constraints","CrystEngComm","2019","21","22","3420","","10.1039/C9CE00429G","","","1.54178","CuKα","","0.0357","0.0353","","","0.0941","0.0946","","","","","","1.055","","","","has coordinates,has disorder","223495","2020-10-21","18:00:00",""
"7232685","9.7079","0.0012","9.4265","0.0008","13.9926","0.0013","90","","107.665","0.012","90","","1220.1","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-(triphenylacetyl)-L-tryptophan","","- C31 H26 N2 O3 -","- C31 H26 N2 O3 -","- C62 H52 N4 O6 -","2","1","","Bendzińska-Berus, Wioletta; Jelecki, Maciej; Kwit, Marcin; Rychlewska, Urszula","Transfer of chirality in N-triphenylacetylamino acids and chiral derivatives of N-triphenylacetyl Gly‒Gly dipeptide and control of their assembly with steric constraints","CrystEngComm","2019","21","22","3420","","10.1039/C9CE00429G","","","0.71073","MoKα","","0.0555","0.0454","","","0.089","0.0961","","","","","","1.036","","","","has coordinates","223495","2020-10-21","18:00:00",""
"7232686","8.941","0.0002","8.941","0.0002","54.361","0.002","90","","90","","90","","4345.7","0.2","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","N-(triphenylacetyl)-L-methionine","","- C25 H25 N O3 S -","- C25 H25 N O3 S -","- C200 H200 N8 O24 S8 -","8","1","","Bendzińska-Berus, Wioletta; Jelecki, Maciej; Kwit, Marcin; Rychlewska, Urszula","Transfer of chirality in N-triphenylacetylamino acids and chiral derivatives of N-triphenylacetyl Gly‒Gly dipeptide and control of their assembly with steric constraints","CrystEngComm","2019","21","22","3420","","10.1039/C9CE00429G","","","0.71073","MoKα","","0.0786","0.0645","","","0.1107","0.1158","","","","","","1.122","","","","has coordinates","223495","2020-10-21","18:00:00",""
"7232687","9.172","0.0002","32.882","0.0005","13.538","0.0003","90","","90.126","0.002","90","","4082.97","0.14","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-(triphenylacetyl)-L-proline methylester","","- C26 H25 N O3 -","- C26 H25 N O3 -","- C208 H200 N8 O24 -","8","4","","Bendzińska-Berus, Wioletta; Jelecki, Maciej; Kwit, Marcin; Rychlewska, Urszula","Transfer of chirality in N-triphenylacetylamino acids and chiral derivatives of N-triphenylacetyl Gly‒Gly dipeptide and control of their assembly with steric constraints","CrystEngComm","2019","21","22","3420","","10.1039/C9CE00429G","","","1.54184","CuKα","","0.0394","0.0393","","","0.1054","0.1054","","","","","","1.039","","","","has coordinates","223495","2020-10-21","18:00:00",""
"7232688","13.3958","0.0006","9.2202","0.0003","16.7458","0.0007","90","","108.447","0.005","90","","1962.03","0.15","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(triphenylacetyl)glycylglycine","","- C24 H22 N2 O4 -","- C24 H22 N2 O4 -","- C96 H88 N8 O16 -","4","1","","Bendzińska-Berus, Wioletta; Jelecki, Maciej; Kwit, Marcin; Rychlewska, Urszula","Transfer of chirality in N-triphenylacetylamino acids and chiral derivatives of N-triphenylacetyl Gly‒Gly dipeptide and control of their assembly with steric constraints","CrystEngComm","2019","21","22","3420","","10.1039/C9CE00429G","","","0.71073","MoKα","","0.0489","0.0384","","","0.0882","0.0944","","","","","","1.049","","","","has coordinates","223495","2020-10-21","18:00:00",""
"7232689","8.5896","0.0001","9.9657","0.0001","12.7116","0.0002","90","","94.914","0.001","90","","1084.13","0.02","291","1","291","1","","","","","","","","4","P 1 21 1","P 2yb","4","","N-(triphenylacetyl)-L-valine","","- C25 H25 N O3 -","- C25 H25 N O3 -","- C50 H50 N2 O6 -","2","1","","Bendzińska-Berus, Wioletta; Jelecki, Maciej; Kwit, Marcin; Rychlewska, Urszula","Transfer of chirality in N-triphenylacetylamino acids and chiral derivatives of N-triphenylacetyl Gly‒Gly dipeptide and control of their assembly with steric constraints","CrystEngComm","2019","21","22","3420","","10.1039/C9CE00429G","","","1.54178","CuKα","","0.0352","0.0347","","","0.0911","0.0918","","","","","","1.035","","","","has coordinates","223495","2020-10-21","18:00:00",""
"7232690","14.3139","0.0002","15.9294","0.0002","9.1186","0.0001","90","","90","","90","","2079.15","0.05","294","2","294","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","N-(triphenylacetyl)-L-proline","","- C25 H23 N O3 -","- C25 H23 N O3 -","- C100 H92 N4 O12 -","4","1","","Bendzińska-Berus, Wioletta; Jelecki, Maciej; Kwit, Marcin; Rychlewska, Urszula","Transfer of chirality in N-triphenylacetylamino acids and chiral derivatives of N-triphenylacetyl Gly‒Gly dipeptide and control of their assembly with steric constraints","CrystEngComm","2019","21","22","3420","","10.1039/C9CE00429G","","","1.54184","CuKα","","0.0319","0.0312","","","0.082","0.0831","","","","","","1.061","","","","has coordinates","223495","2020-10-21","18:00:00",""
"7232691","9.6669","0.0003","14.8741","0.0006","19.1839","0.0006","86.367","0.004","81.808","0.003","71.038","0.003","2581.65","0.16","130","2","130","2","","","","","","","","4","P 1","P 1","1","","N-(triphenylacetyl)glycylamino(1-cyclohexyl)ethane","","- C30 H34 N2 O2 -","- C30 H34 N2 O2 -","- C120 H136 N8 O8 -","4","4","","Bendzińska-Berus, Wioletta; Jelecki, Maciej; Kwit, Marcin; Rychlewska, Urszula","Transfer of chirality in N-triphenylacetylamino acids and chiral derivatives of N-triphenylacetyl Gly‒Gly dipeptide and control of their assembly with steric constraints","CrystEngComm","2019","21","22","3420","","10.1039/C9CE00429G","","","1.54178","CuKα","","0.0424","0.0399","","","0.1067","0.109","","","","","","1.053","","","","has coordinates,has disorder","223495","2020-10-21","18:00:00",""
"7232692","8.5012","0.0001","9.8952","0.0001","12.8936","0.0002","90","","92.27","0.001","90","","1083.77","0.02","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-(triphenylacetyl)-L-tert-leucine","","- C26 H27 N O3 -","- C26 H27 N O3 -","- C52 H54 N2 O6 -","2","1","","Bendzińska-Berus, Wioletta; Jelecki, Maciej; Kwit, Marcin; Rychlewska, Urszula","Transfer of chirality in N-triphenylacetylamino acids and chiral derivatives of N-triphenylacetyl Gly‒Gly dipeptide and control of their assembly with steric constraints","CrystEngComm","2019","21","22","3420","","10.1039/C9CE00429G","","","1.54178","CuKα","","0.0242","0.0241","","","0.0627","0.0628","","","","","","1.076","","","","has coordinates","223495","2020-10-21","18:00:00",""
"7232693","9.1939","0.0004","10.3126","0.0004","24.1891","0.0008","90","","90","","90","","2293.44","0.15","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-(triphenylacetyl)-L-tyrosine","","- C29 H25 N O4 -","- C29 H25 N O4 -","- C116 H100 N4 O16 -","4","1","","Bendzińska-Berus, Wioletta; Jelecki, Maciej; Kwit, Marcin; Rychlewska, Urszula","Transfer of chirality in N-triphenylacetylamino acids and chiral derivatives of N-triphenylacetyl Gly‒Gly dipeptide and control of their assembly with steric constraints","CrystEngComm","2019","21","22","3420","","10.1039/C9CE00429G","","","0.71073","MoKα","","0.0581","0.0431","","","0.0841","0.0925","","","","","","1.059","","","","has coordinates","223495","2020-10-21","18:00:00",""
"7232694","9.8268","0.0002","10.7524","0.0002","12.3034","0.0003","104.385","0.002","99.112","0.002","92.482","0.002","1238.7","0.05","130","2","130","2","","","","","","","","4","P 1","P 1","1","","N-(triphenylacetyl)glycylamino(1-tert-butyl)ethane","","- C28 H32 N2 O2 -","- C28 H32 N2 O2 -","- C56 H64 N4 O4 -","2","2","","Bendzińska-Berus, Wioletta; Jelecki, Maciej; Kwit, Marcin; Rychlewska, Urszula","Transfer of chirality in N-triphenylacetylamino acids and chiral derivatives of N-triphenylacetyl Gly‒Gly dipeptide and control of their assembly with steric constraints","CrystEngComm","2019","21","22","3420","","10.1039/C9CE00429G","","","1.54178","CuKα","","0.0319","0.0316","","","0.0852","0.0855","","","","","","1.08","","","","has coordinates","223495","2020-10-21","18:00:00",""
"7232721","29.7813","0.0012","15.7987","0.0007","23.7492","0.0009","90","","101.808","0.002","90","","10937.7","0.8","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H36 Co2 N4 O10 -","- C44 H36 Co2 N4 O10 -","- C352 H288 Co16 N32 O80 -","8","2","","Sikiti, Phumile; Bezuidenhout, Charl X.; van Heerden, Dewald P.; Barbour, Leonard J.","A new dynamic framework with direct in situ visualisation of breathing under CO2 gas pressure","CrystEngComm","2019","21","22","3415","","10.1039/C9CE00418A","","x-ray","0.71073","MoKα","","0.1456","0.085","","","0.2411","0.2894","","","","","","1.088","","","","has coordinates","223489","2020-10-21","18:00:00",""
"7232722","7.936","0.004","14.009","0.007","15.45","0.008","90","","92.041","0.006","90","","1716.6","1.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Cu(def)(bpy)]NO3","","- C17 H16 Cu N4 O5 -","- C17 H16 Cu N4 O5 -","- C68 H64 Cu4 N16 O20 -","4","1","","Sikiti, Phumile; Bezuidenhout, Charl X.; van Heerden, Dewald P.; Barbour, Leonard J.","A new dynamic framework with direct in situ visualisation of breathing under CO2 gas pressure","CrystEngComm","2019","21","22","3415","","10.1039/C9CE00418A","","","0.71073","MoKα","","0.1552","0.0618","","","0.124","0.1594","","","","","","0.994","","","","has coordinates","223489","2020-10-21","18:00:00",""
"7232723","30.071","0.003","7.8976","0.0006","23.8471","0.0017","90","","101.951","0.004","90","","5540.7","0.8","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H36 Co2 N4 O10 -","- C44.12 H36 Co2 N4 O10 -","- C176.48 H144 Co8 N16 O40 -","4","0.5","","Sikiti, Phumile; Bezuidenhout, Charl X.; van Heerden, Dewald P.; Barbour, Leonard J.","A new dynamic framework with direct in situ visualisation of breathing under CO2 gas pressure","CrystEngComm","2019","21","22","3415","","10.1039/C9CE00418A","","","0.71073","MoKα","","0.1682","0.1391","","","0.2845","0.3033","","","","","","1.241","","","","has coordinates,has disorder","223489","2020-10-21","18:00:00",""
"7232724","23.7632","0.0011","9.8043","0.0005","20.3897","0.001","90","","102.36","0.002","90","","4640.3","0.4","298","2","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H36 Co2 N4 O10 -","- C44 H36 Co2 N4 O10 -","- C176 H144 Co8 N16 O40 -","4","0.5","","Sikiti, Phumile; Bezuidenhout, Charl X.; van Heerden, Dewald P.; Barbour, Leonard J.","A new dynamic framework with direct in situ visualisation of breathing under CO2 gas pressure","CrystEngComm","2019","21","22","3415","","10.1039/C9CE00418A","","","0.71073","MoKα","","0.0793","0.0431","","","0.0859","0.0996","","","","","","1.039","","","","has coordinates","223489","2020-10-21","18:00:00",""
"7232725","23.7504","0.0014","9.7971","0.0006","20.323","0.0012","90","","104.156","0.002","90","","4585.3","0.5","298","2","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H36 Co2 N4 O10 -","- C44 H36 Co2 N4 O10 -","- C176 H144 Co8 N16 O40 -","4","0.5","","Sikiti, Phumile; Bezuidenhout, Charl X.; van Heerden, Dewald P.; Barbour, Leonard J.","A new dynamic framework with direct in situ visualisation of breathing under CO2 gas pressure","CrystEngComm","2019","21","22","3415","","10.1039/C9CE00418A","","x-ray","0.71073","MoKα","","0.1191","0.0489","","","0.1006","0.1371","","","","","","1.018","","","","has coordinates","223489","2020-10-21","18:00:00",""
"7232730","5.1481","0.0001","13.6138","0.0002","7.7426","0.0001","90","","90","","90","","542.642","0.015","298","2","298","2","","","0","","","","","4","P 21 21 21","P 2ac 2ab","19","L-threonine","2S,3R)-2-amino-3-hydroxybutanoic acid","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.71073","MoKα","","0.0287","0.0263","","","0.0676","0.0702","","","","","","0.823","","","","has coordinates","223668","2020-10-21","18:00:00",""
"7232731","4.9556","0.0009","13.322","0.004","6.874","0.002","90","","90","","90","","453.8","0.2","296","2","296","2","","","5.2","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.478","synchrotron","","0.0748","0.0593","","","0.1466","0.1545","","","","","","1.066","","","","has coordinates","223668","2020-10-21","18:00:00",""
"7232732","5.0359","0.0006","13.462","0.003","7.2375","0.0016","90","","90","","90","","490.65","0.16","296","2","296","2","","","2.05","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.478","synchrotron","","0.081","0.064","","","0.135","0.1506","","","","","","1.089","","","","has coordinates","223668","2020-10-21","18:00:00",""
"7232733","4.879","0.003","13.135","0.008","6.658","0.006","90","","90","","90","","426.7","0.5","298","2","298","2","","","8.5","","","","","4","P 21 21 21","P 2ac 2ab","19","L-threonine","2S,3R)-2-amino-3-hydroxybutanoic acid","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.49594","synchrotron","","0.0736","0.0617","","","0.1388","0.1423","","","","","","1.08","","","","has coordinates","223668","2020-10-21","18:00:00",""
"7232734","5.0055","0.0002","13.4104","0.0009","7.1162","0.0004","90","","90","","90","","477.68","0.05","296","2","296","2","","","3.23","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.478","synchrotron","","0.0671","0.0615","","","0.1476","0.1517","","","","","","1.052","","","","has coordinates","223668","2020-10-21","18:00:00",""
"7232735","5.0694","0.001","13.492","0.006","7.403","0.004","90","","90","","90","","506.3","0.4","296","2","296","2","","","1.26","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.478","synchrotron","","0.139","0.0879","","","0.2063","0.2341","","","","","","1.004","","","","has coordinates","223668","2020-10-21","18:00:00",""
"7232736","4.933","0.002","13.248","0.009","6.841","0.003","90","","90","","90","","447.1","0.4","298","2","298","2","","","5.91","","","","","4","P 21 21 21","P 2ac 2ab","19","L-threonine","2S,3R)-2-amino-3-hydroxybutanoic acid","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.49594","synchrotron","","0.0753","0.0572","","","0.1389","0.1561","","","","","","1.126","","","","has coordinates","223668","2020-10-21","18:00:00",""
"7232737","4.9824","0.0006","13.353","0.003","7.0029","0.0014","90","","90","","90","","465.9","0.15","296","2","296","2","","","4.02","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.478","synchrotron","","0.0727","0.0622","","","0.1656","0.1718","","","","","","1.124","","","","has coordinates","223668","2020-10-21","18:00:00",""
"7232738","4.9715","0.0014","13.236","0.007","7.042","0.002","90","","90","","90","","463.4","0.3","298","2","298","2","","","3.97","","","","","4","P 21 21 21","P 2ac 2ab","19","L-threonine","2S,3R)-2-amino-3-hydroxybutanoic acid","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.49594","synchrotron","","0.0886","0.0573","","","0.136","0.1447","","","","","","1.006","","","","has coordinates","223668","2020-10-21","18:00:00",""
"7232739","4.9154","0.0009","13.23","0.005","6.7665","0.0014","90","","90","","90","","440","0.2","296","2","296","2","","","6.67","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.478","synchrotron","","0.0936","0.0669","","","0.1462","0.1583","","","","","","1.106","","","","has coordinates","223668","2020-10-21","18:00:00",""
"7232740","4.9383","0.0019","13.25","0.005","6.841","0.003","90","","90","","90","","447.6","0.3","298","2","298","2","","","6.12","","","","","4","P 21 21 21","P 2ac 2ab","19","L-threonine","2S,3R)-2-amino-3-hydroxybutanoic acid","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.49594","synchrotron","","0.0778","0.0636","","","0.1549","0.1613","","","","","","1.04","","","","has coordinates","223668","2020-10-21","18:00:00",""
"7232741","4.773","0.003","12.91","0.008","6.363","0.006","90","","90","","90","","392.1","0.5","298","2","298","2","","","15.78","","","","","4","P 21 21 21","P 2ac 2ab","19","L-threonine","(2S,3R)-2-amino-3-hydroxybutanoic acid","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.49594","synchrotron","","0.0926","0.0667","","","0.1607","0.1757","","","","","","1.004","","","","has coordinates","223668","2020-10-21","18:00:00",""
"7232742","4.799","0.002","12.972","0.005","6.432","0.003","90","","90","","90","","400.4","0.3","298","2","298","2","","","13.94","","","","","4","P 21 21 21","P 2ac 2ab","19","L-threonine","(2S,3R)-2-amino-3-hydroxybutanoic acid","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.49594","synchrotron","","0.0602","0.0546","","","0.1368","0.1401","","","","","","1.039","","","","has coordinates","223668","2020-10-21","18:00:00",""
"7232743","4.768","0.004","12.883","0.01","6.353","0.007","90","","90","","90","","390.2","0.6","298","2","298","2","","","17.05","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.49594","synchrotron","","0.1161","0.0862","","","0.2167","0.2282","","","","","","1.114","","","","has coordinates","223668","2020-10-21","18:00:00",""
"7232744","4.771","0.003","12.903","0.006","6.361","0.004","90","","90","","90","","391.6","0.4","298","2","298","2","","","15.2","","","","","4","P 21 21 21","P 2ac 2ab","19","L-threonine","(2S,3R)-2-amino-3-hydroxybutanoic acid","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.49594","synchrotron","","0.0862","0.0653","","","0.1512","0.1613","","","","","","0.948","","","","has coordinates","223668","2020-10-21","18:00:00",""
"7232745","4.842","0.006","13.025","0.017","6.589","0.012","90","","90","","90","","415.5","1.1","298","2","298","2","","","9.82","","","","","4","P 21 21 21","P 2ac 2ab","19","L-threonine","(2S,3R)-2-amino-3-hydroxybutanoic acid","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.49594","synchrotron","","0.1438","0.0914","","","0.2197","0.245","","","","","","1.051","","","","has coordinates","223668","2020-10-21","18:00:00",""
"7232746","4.823","0.004","13.027","0.01","6.481","0.007","90","","90","","90","","407.2","0.6","298","2","298","2","","","11.19","","","","","4","P 21 21 21","P 2ac 2ab","19","L-threonine","(2S,3R)-2-amino-3-hydroxybutanoic acid","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.49594","synchrotron","","0.079","0.0533","","","0.1332","0.1416","","","","","","1.037","","","","has coordinates","223668","2020-10-21","18:00:00",""
"7232747","4.62","0.009","12.52","0.02","6.037","0.014","90","","92.54","0.04","90","","348.9","1.2","298","2","298","2","","","22.31","","","","","4","P 1 21 1","P 2yb","4","L-threonine","(2S,3R)-2-amino-3-hydroxybutanoic acid","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","2","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.49594","synchrotron","","0.0917","0.0785","","","0.1805","0.196","","","","","","1.148","","","","has coordinates","223668","2020-10-21","18:00:00",""
"7232748","4.823","0.005","13.025","0.012","6.457","0.008","90","","90","","90","","405.6","0.8","298","2","298","2","","","13","","","","","4","P 21 21 21","P 2ac 2ab","19","L-threonine","(2S,3R)-2-amino-3-hydroxybutanoic acid","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.49594","synchrotron","","0.0649","0.0584","","","0.1492","0.1559","","","","","","1.266","","","","has coordinates","223668","2020-10-21","18:00:00",""
"7232749","4.735","0.005","12.823","0.013","6.275","0.008","90","","91.14","0.03","90","","380.9","0.7","298","2","298","2","","","18.2","","","","","4","P 1 21 1","P 2yb","4","L-threonine","(2S,3R)-2-amino-3-hydroxybutanoic acid","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","2","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.49594","synchrotron","","0.0926","0.0782","","","0.1806","0.1918","","","","","","1.049","","","","has coordinates","223668","2020-10-21","18:00:00",""
"7232750","4.679","0.006","12.659","0.013","6.143","0.009","90","","91.42","0.03","90","","363.7","0.8","298","2","298","2","","","20.62","","","","","4","P 1 21 1","P 2yb","4","L-threonine","(2S,3R)-2-amino-3-hydroxybutanoic acid","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","2","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.49594","synchrotron","","0.1445","0.1115","","","0.273","0.2952","","","","","","1.18","","","","has coordinates","223668","2020-10-21","18:00:00",""
"7232751","7.9261","0.0019","11.402","0.003","15.557","0.004","90","","90","","90","","1405.9","0.6","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","furfural","furan-2-carbaldehyde","","- C5 H4 O2 -","- C5 H4 O2 -","- C60 H48 O24 -","12","3","","Seidel, Rüdiger W.; Goddard, Richard; Nöthling, Nils; Lehmann, Christian W.","In situ cryocrystallization and solid-state structures of furfural and some derivatives","CrystEngComm","2019","21","21","3295","","10.1039/C9CE00435A","","","1.54178","CuKα","","0.0428","0.0389","","","0.0988","0.1027","","","","","","1.077","","","","has coordinates","223690","2020-10-21","18:00:00",""
"7232752","5.8006","0.0013","7.8838","0.0018","11.355","0.003","94.479","0.004","92.173","0.004","96.464","0.004","513.8","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","furfurylamine","1-(2-furyl)methylamine","","- C5 H7 N O -","- C5 H7 N O -","- C20 H28 N4 O4 -","4","2","","Seidel, Rüdiger W.; Goddard, Richard; Nöthling, Nils; Lehmann, Christian W.","In situ cryocrystallization and solid-state structures of furfural and some derivatives","CrystEngComm","2019","21","21","3295","","10.1039/C9CE00435A","","","0.71073","MoKα","","0.0948","0.074","","","0.2381","0.2524","","","","","","1.142","","","","has coordinates","223690","2020-10-21","18:00:00",""
"7232753","5.2801","0.0003","12.0768","0.0007","7.2295","0.0004","90","","98.788","0.001","90","","455.59","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-furonitrile","furan-2-carbonitrile","","- C5 H3 N O -","- C5 H3 N O -","- C20 H12 N4 O4 -","4","1","","Seidel, Rüdiger W.; Goddard, Richard; Nöthling, Nils; Lehmann, Christian W.","In situ cryocrystallization and solid-state structures of furfural and some derivatives","CrystEngComm","2019","21","21","3295","","10.1039/C9CE00435A","","","1.54178","CuKα","","0.0361","0.0361","","","0.1044","0.1045","","","","","","1.066","","","","has coordinates","223690","2020-10-21","18:00:00",""
"7232754","12.4727","0.0015","12.4727","0.0015","6.0594","0.0007","90","","90","","90","","942.65","0.19","100","2","100","2","","","","","","","","3","P 42 b c","P 4c -2ab","106","","2-methylfuran","","- C5 H6 O -","- C5 H6 O -","- C40 H48 O8 -","8","1","","Seidel, Rüdiger W.; Goddard, Richard; Nöthling, Nils; Lehmann, Christian W.","In situ cryocrystallization and solid-state structures of furfural and some derivatives","CrystEngComm","2019","21","21","3295","","10.1039/C9CE00435A","","","1.54178","CuKα","","0.0214","0.0207","","","0.0507","0.0509","","","","","","1.1","","","","has coordinates","223690","2020-10-21","18:00:00",""
"7232755","17.143","0.008","11.806","0.006","7.399","0.01","90","","90","","90","","1497","2","296","2","296.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","paracetamol","acetaminophen","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C64 H72 N8 O16 -","8","1","","Ward, Martin R.; Oswald, Iain D. H.","Antisolvent addition at extreme conditions","CrystEngComm","2019","21","30","4437","","10.1039/C9CE00365G","","x-ray","0.71073","MoKα","","0.1488","0.0683","","","0.1635","0.2071","","","","","","1.082","","","","has coordinates","223671","2020-10-21","18:00:00",""
"7232756","12.9717","0.0015","17.1881","0.0009","13.0437","0.0019","90","","116.032","0.008","90","","2613.2","0.5","293.15","","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","paracetamol:methanol solvate, (1:1)","acetaminophen:methanol solvate","","- C9 H13 N O3 -","- C9 H13 N O3 -","- C108 H156 N12 O36 -","12","3","","Ward, Martin R.; Oswald, Iain D. H.","Antisolvent addition at extreme conditions","CrystEngComm","2019","21","30","4437","","10.1039/C9CE00365G","","x-ray","0.71073","MoKα","","0.1947","0.1291","","","0.3349","0.4172","","","","","","1.552","","","","has coordinates","223671","2020-10-21","18:00:00",""
"7232757","17.1202","0.0017","11.7968","0.0011","7.288","0.002","90","","90","","90","","1471.9","0.5","296.15","","296.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","paracetamol","acetaminophen","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C64 H72 N8 O16 -","8","1","","Ward, Martin R.; Oswald, Iain D. H.","Antisolvent addition at extreme conditions","CrystEngComm","2019","21","30","4437","","10.1039/C9CE00365G","","","0.71073","MoKα","","0.0955","0.0579","","","0.1272","0.147","","","","","","1.076","","","","has coordinates","223671","2020-10-21","18:00:00",""
"7232758","17.1522","0.0005","11.8201","0.0004","7.3985","0.0002","90","","90","","90","","1499.98","0.08","296.15","","296.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","acetaminophen","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C64 H72 N8 O16 -","8","1","","Ward, Martin R.; Oswald, Iain D. H.","Antisolvent addition at extreme conditions","CrystEngComm","2019","21","30","4437","","10.1039/C9CE00365G","","","1.54178","CuKα","","0.0585","0.0448","","","0.1178","0.1223","","","","","","1.073","","","","has coordinates","223671","2020-10-21","18:00:00",""
"7232759","13.0234","0.0015","17.2078","0.0009","13.0925","0.0015","90","","116.209","0.007","90","","2632.4","0.5","293.15","","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","paracetamol:methanol solvate, (1:1)","acetaminophen:methanol solvate","","- C9 H13 N O3 -","- C9 H13 N O3 -","- C108 H156 N12 O36 -","12","3","","Ward, Martin R.; Oswald, Iain D. H.","Antisolvent addition at extreme conditions","CrystEngComm","2019","21","30","4437","","10.1039/C9CE00365G","","x-ray","0.71073","MoKα","","0.1259","0.0941","","","0.2449","0.2721","","","","","","1.065","","","","has coordinates","223671","2020-10-21","18:00:00",""
"7232760","10.567","0.0003","11.7875","0.0003","11.2791","0.0003","90","","101.443","0.003","90","","1376.98","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate","disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate","","- C5 H17 N5 Na2 O8 -","- C5 H17 N5 Na2 O8 -","- C20 H68 N20 Na8 O32 -","4","1","","Gaydamaka, Anna A.; Arkhipov, Sergey G.; Zakharov, Boris A.; Seryotkin, Yurii V.; Boldyreva, Elena V.","Effect of pressure on slit channels in guanine sodium salt hydrate: a link to nucleobase intermolecular interactions","CrystEngComm","2019","21","30","4484","","10.1039/C9CE00476A","","","0.71073","MoKα","","0.0887","0.0465","","","0.0992","0.1159","","","","","","1.009","","","","has coordinates","223665","2020-10-21","18:00:00",""
"7232761","10.5372","0.0006","11.191","0.006","10.8339","0.0007","90","","102.017","0.006","90","","1249.6","0.7","293","2","293","2","","","2000000","","","","","5","P 1 21/c 1","-P 2ybc","14","disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate","disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate","","- C5 H17 N5 Na2 O8 -","- C5 H3 N5 Na2 O8 -","- C20 H12 N20 Na8 O32 -","4","1","","Gaydamaka, Anna A.; Arkhipov, Sergey G.; Zakharov, Boris A.; Seryotkin, Yurii V.; Boldyreva, Elena V.","Effect of pressure on slit channels in guanine sodium salt hydrate: a link to nucleobase intermolecular interactions","CrystEngComm","2019","21","30","4484","","10.1039/C9CE00476A","","","0.71073","MoKα","","0.0997","0.0746","","","0.2039","0.2233","","","","","","1.118","","","","has coordinates","223665","2020-10-21","18:00:00",""
"7232762","10.5575","0.0008","11.58","0.007","11.1164","0.0008","90","","101.657","0.007","90","","1331","0.8","293","2","293","2","","","600000","","","","","5","P 1 21/c 1","-P 2ybc","14","disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate","disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate","","- C5 H17 N5 Na2 O8 -","- C5 H3 N5 Na2 O8 -","- C20 H12 N20 Na8 O32 -","4","1","","Gaydamaka, Anna A.; Arkhipov, Sergey G.; Zakharov, Boris A.; Seryotkin, Yurii V.; Boldyreva, Elena V.","Effect of pressure on slit channels in guanine sodium salt hydrate: a link to nucleobase intermolecular interactions","CrystEngComm","2019","21","30","4484","","10.1039/C9CE00476A","","","0.71073","MoKα","","0.11","0.0777","","","0.1991","0.2229","","","","","","1.125","","","","has coordinates","223665","2020-10-21","18:00:00",""
"7232763","10.5403","0.001","11.077","0.01","10.7701","0.001","90","","101.972","0.008","90","","1230.1","1.1","293","2","293","2","","","2500000","","","","","5","P 1 21/c 1","-P 2ybc","14","disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate","disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate","","- C5 H17 N5 Na2 O8 -","- C5 H3 N5 Na2 O8 -","- C20 H12 N20 Na8 O32 -","4","1","","Gaydamaka, Anna A.; Arkhipov, Sergey G.; Zakharov, Boris A.; Seryotkin, Yurii V.; Boldyreva, Elena V.","Effect of pressure on slit channels in guanine sodium salt hydrate: a link to nucleobase intermolecular interactions","CrystEngComm","2019","21","30","4484","","10.1039/C9CE00476A","","","0.71073","MoKα","","0.1087","0.075","","","0.1924","0.2181","","","","","","1.086","","","","has coordinates","223665","2020-10-21","18:00:00",""
"7232764","10.5398","0.0006","11.142","0.005","10.8026","0.0006","90","","102.027","0.005","90","","1240.8","0.6","293","2","293","2","","","2300000","","","","","5","P 1 21/c 1","-P 2ybc","14","disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate","disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate","","- C5 H17 N5 Na2 O8 -","- C5 H3 N5 Na2 O8 -","- C20 H12 N20 Na8 O32 -","4","1","","Gaydamaka, Anna A.; Arkhipov, Sergey G.; Zakharov, Boris A.; Seryotkin, Yurii V.; Boldyreva, Elena V.","Effect of pressure on slit channels in guanine sodium salt hydrate: a link to nucleobase intermolecular interactions","CrystEngComm","2019","21","30","4484","","10.1039/C9CE00476A","","","0.71073","MoKα","","0.0996","0.0747","","","0.199","0.2185","","","","","","1.091","","","","has coordinates","223665","2020-10-21","18:00:00",""
"7232765","10.5441","0.0007","11.239","0.007","10.8819","0.0008","90","","101.974","0.006","90","","1261.5","0.8","293","2","293","2","","","1800000","","","","","5","P 1 21/c 1","-P 2ybc","14","disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate","disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate","","- C5 H17 N5 Na2 O8 -","- C5 H3 N5 Na2 O8 -","- C20 H12 N20 Na8 O32 -","4","1","","Gaydamaka, Anna A.; Arkhipov, Sergey G.; Zakharov, Boris A.; Seryotkin, Yurii V.; Boldyreva, Elena V.","Effect of pressure on slit channels in guanine sodium salt hydrate: a link to nucleobase intermolecular interactions","CrystEngComm","2019","21","30","4484","","10.1039/C9CE00476A","","","0.71073","MoKα","","0.1016","0.0778","","","0.2012","0.2201","","","","","","1.092","","","","has coordinates","223665","2020-10-21","18:00:00",""
"7232766","10.538","0.0007","11.433","0.007","10.992","0.0008","90","","101.824","0.006","90","","1296.2","0.8","293","2","293","2","","","1200000","","","","","5","P 1 21/c 1","-P 2ybc","14","disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate","disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate","","- C5 H17 N5 Na2 O8 -","- C5 H3 N5 Na2 O8 -","- C20 H12 N20 Na8 O32 -","4","1","","Gaydamaka, Anna A.; Arkhipov, Sergey G.; Zakharov, Boris A.; Seryotkin, Yurii V.; Boldyreva, Elena V.","Effect of pressure on slit channels in guanine sodium salt hydrate: a link to nucleobase intermolecular interactions","CrystEngComm","2019","21","30","4484","","10.1039/C9CE00476A","","","0.71073","MoKα","","0.1034","0.0731","","","0.1837","0.207","","","","","","1.095","","","","has coordinates","223665","2020-10-21","18:00:00",""
"7232770","9.982","0.004","10.918","0.003","15.273","0.002","90","","107.315","0.005","90","","1589.1","0.8","205","","205","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H19 N5 O4 -","- C13 H19 N5 O4 -","- C52 H76 N20 O16 -","4","1","","Zhou, Wen-Xiu; Zhao, Hong-Wei; Chen, Huan-Huan; Zhang, Zai-Yong; Chen, Dong-Ying","Characterization of drug‒drug salt forms of metformin and aspirin with improved physicochemical properties","CrystEngComm","2019","21","25","3770","","10.1039/C9CE00377K","","","0.71073","MoKα","","0.0847","0.0499","","","0.129","0.1512","","","","","","0.96","","","","has coordinates","223615","2020-10-21","18:00:00",""
"7232771","9.0858","0.0009","11.9718","0.0012","16.5784","0.0017","69.9","0.001","75.107","0.002","67.877","0.003","1551.8","0.3","205","2","205","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H40 N10 O9 -","- C26 H40 N10 O9 -","- C52 H80 N20 O18 -","2","1","","Zhou, Wen-Xiu; Zhao, Hong-Wei; Chen, Huan-Huan; Zhang, Zai-Yong; Chen, Dong-Ying","Characterization of drug‒drug salt forms of metformin and aspirin with improved physicochemical properties","CrystEngComm","2019","21","25","3770","","10.1039/C9CE00377K","","","0.71073","MoKα","","0.1049","0.0535","","","0.1125","0.1369","","","","","","0.962","","","","has coordinates","223615","2020-10-21","18:00:00",""
"7232773","7.491","0.0004","11.4453","0.0006","13.0462","0.0006","100.758","0.004","92.216","0.004","93.539","0.004","1095.35","0.1","293","","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H20 N10 O -","- C24 H20 N10 O -","- C48 H40 N20 O2 -","2","1","","Cheng, Lin; Xue, Chong-Yu; Wang, Ying; Yang, Dan-Dan; Zhang, Ying-Xin; Gao, Yi-Xuan; Day, Gregory S.","Solvent-induced SC‒SC transformation within the ZnII‒triazole system: a promising MnO4− selective luminescent probe","CrystEngComm","2019","21","22","3390","","10.1039/C9CE00312F","","","1.54184","CuKα","","0.0405","0.0378","","","0.0954","0.0979","","","","","","1.035","","","","has coordinates","223490","2020-10-21","18:00:00",""
"7232774","17.897","0.002","14.8153","0.0015","21.628","0.002","90","","98.305","0.011","90","","5674.5","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H20.4 Cl5 Cu N10 O0.7 -","- C25 H19 Cl5 Cu N10 O0.7 -","- C200 H152 Cl40 Cu8 N80 O5.6 -","8","1","","Cheng, Lin; Xue, Chong-Yu; Wang, Ying; Yang, Dan-Dan; Zhang, Ying-Xin; Gao, Yi-Xuan; Day, Gregory S.","Solvent-induced SC‒SC transformation within the ZnII‒triazole system: a promising MnO4− selective luminescent probe","CrystEngComm","2019","21","22","3390","","10.1039/C9CE00312F","","","0.71073","MoKα","","0.1026","0.0636","","","0.1526","0.1708","","","","","","1.063","","","","has coordinates,has disorder","223490","2020-10-21","18:00:00",""
"7232775","10.9739","0.0006","12.7951","0.0007","13.6318","0.0006","104.805","0.004","96.979","0.004","91.525","0.005","1833.5","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H20 Br6 N12 O6 Zn -","- C25 H19 Br3 N12 O6 Zn -","- C50 H38 Br6 N24 O12 Zn2 -","2","1","","Cheng, Lin; Xue, Chong-Yu; Wang, Ying; Yang, Dan-Dan; Zhang, Ying-Xin; Gao, Yi-Xuan; Day, Gregory S.","Solvent-induced SC‒SC transformation within the ZnII‒triazole system: a promising MnO4− selective luminescent probe","CrystEngComm","2019","21","22","3390","","10.1039/C9CE00312F","","","1.54184","CuKα","","0.0809","0.0682","","","0.1898","0.2018","","","","","","1.094","","","","has coordinates","223490","2020-10-21","18:00:00",""
"7232776","12.359","0.01","12.665","0.009","13.855","0.01","75.7","0.03","72.44","0.02","87.55","0.04","2002","3","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 N12 O6 Zn -","- C24 H18 N12 O6 Zn -","- C48 H36 N24 O12 Zn2 -","2","1","","Cheng, Lin; Xue, Chong-Yu; Wang, Ying; Yang, Dan-Dan; Zhang, Ying-Xin; Gao, Yi-Xuan; Day, Gregory S.","Solvent-induced SC‒SC transformation within the ZnII‒triazole system: a promising MnO4− selective luminescent probe","CrystEngComm","2019","21","22","3390","","10.1039/C9CE00312F","","","0.71073","MoKα","","0.121","0.0941","","","0.2594","0.278","","","","","","1.009","","","","has coordinates","223490","2020-10-21","18:00:00",""
"7232777","18.5353","0.0015","15.4936","0.0015","21.554","0.002","90","","96.986","0.002","90","","6143.9","1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28.5 H28.5 Cl2 Mn N11.5 O1.5 -","- C28.5 H28.5 Cl2 Mn N11.5 O1.5 -","- C228 H228 Cl16 Mn8 N92 O12 -","8","1","","Cheng, Lin; Xue, Chong-Yu; Wang, Ying; Yang, Dan-Dan; Zhang, Ying-Xin; Gao, Yi-Xuan; Day, Gregory S.","Solvent-induced SC‒SC transformation within the ZnII‒triazole system: a promising MnO4− selective luminescent probe","CrystEngComm","2019","21","22","3390","","10.1039/C9CE00312F","","","0.71073","MoKα","","0.0863","0.0542","","","0.1229","0.1436","","","","","","1.009","","","","has coordinates,has disorder","223490","2020-10-21","18:00:00",""
"7232778","14.917","0.003","20.459","0.004","15.642","0.003","90","","116.312","0.003","90","","4279.1","1.5","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 N10 -","- C24 H18 N10 -","- C192 H144 N80 -","8","2","","Cheng, Lin; Xue, Chong-Yu; Wang, Ying; Yang, Dan-Dan; Zhang, Ying-Xin; Gao, Yi-Xuan; Day, Gregory S.","Solvent-induced SC‒SC transformation within the ZnII‒triazole system: a promising MnO4− selective luminescent probe","CrystEngComm","2019","21","22","3390","","10.1039/C9CE00312F","","","0.71073","MoKα","","0.1053","0.0548","","","0.1322","0.1613","","","","","","1.011","","","","has coordinates","223490","2020-10-21","18:00:00",""
"7232779","29.6595","0.0007","12.2726","0.0005","32.6526","0.0009","90","","100.427","0.002","90","","11689.2","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H55.5 Cl2 Fe N20 O9.75 -","- C48 H38 Cl2 Fe N20 O3 -","- C384 H304 Cl16 Fe8 N160 O24 -","8","1","","Cheng, Lin; Xue, Chong-Yu; Wang, Ying; Yang, Dan-Dan; Zhang, Ying-Xin; Gao, Yi-Xuan; Day, Gregory S.","Solvent-induced SC‒SC transformation within the ZnII‒triazole system: a promising MnO4− selective luminescent probe","CrystEngComm","2019","21","22","3390","","10.1039/C9CE00312F","","","0.71073","MoKα","","0.0936","0.0719","","","0.1944","0.2122","","","","","","1.024","","","","has coordinates","223490","2020-10-21","18:00:00",""
"7232780","19.885","0.006","21.893","0.006","14.279","0.004","90","","126.457","0.003","90","","5000","2","273","2","273","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C21 H19 N12 O4 Zn2 -","- C21 H17 N12 O4 Zn2 -","- C84 H68 N48 O16 Zn8 -","4","0.5","","Sheng, Donghai; Zhang, Ying; Han, Yang; Xu, Guang; Song, Qingxiang; Hu, Yanping; Liu, Xiangyun; Shan, Dongming; Cheng, Achao","A zinc(ii) metal‒organic framework with high affinity for CO2 based on triazole and tetrazolyl benzene carboxylic acid","CrystEngComm","2019","21","24","3679","","10.1039/C9CE00513G","","","0.71073","MoKα","","0.068","0.0548","","","0.2038","0.2144","","","","","","1.226","","","","has coordinates","223477","2020-10-21","18:00:00",""
"7232781","9.8451","0.0003","15.1918","0.0004","7.4842","0.0002","90","","108.573","0.003","90","","1061.07","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,6-lutidinium hydrogen fumarate","","","- C11 H13 N O4 -","- C11 H13 N O4 -","- C44 H52 N4 O16 -","4","1","","Corlett, Emily K.; Blade, Helen; Hughes, Leslie P.; Sidebottom, Philip J.; Walker, David; Walton, Richard I.; Brown, Steven P.","An XRD and NMR crystallographic investigation of the structure of 2,6-lutidinium hydrogen fumarate","CrystEngComm","2019","21","22","3502","","10.1039/C9CE00633H","","x-ray","1.54184","CuKα","","0.0413","0.0373","","","0.0982","0.1018","","","","","","1.033","","","","has coordinates","223494","2020-10-21","18:00:00",""
"7232788","8.8518","0.0002","15.3215","0.0003","10.3543","0.0003","90","","113.274","0.001","90","","1290.01","0.05","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H11 Cl N2 O -","- C15 H11 Cl N2 O -","- C60 H44 Cl4 N8 O4 -","4","2","","Imai, Tomomi; Niijima, Erina; Terada, Shumpei; Wzorek, Alicja; Soloshonok, Vadim A.; Hori, Akiko; Kitagawa, Osamu","Chirality-dependent halogen bonds in axially chiral quinazolin-4-one derivatives bearing ortho-halophenyl groups","CrystEngComm","2019","21","22","3385","","10.1039/C9CE00320G","","","0.71073","MoKα","","0.0229","0.0221","","","0.0558","0.0565","","","","","","1.055","","","","has coordinates","223493","2020-10-21","18:00:00",""
"7232789","17.616","0.003","5.6004","0.001","12.779","0.002","90","","98.051","0.006","90","","1248.3","0.4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 Cl N2 O -","- C15 H11 Cl N2 O -","- C60 H44 Cl4 N8 O4 -","4","1","","Imai, Tomomi; Niijima, Erina; Terada, Shumpei; Wzorek, Alicja; Soloshonok, Vadim A.; Hori, Akiko; Kitagawa, Osamu","Chirality-dependent halogen bonds in axially chiral quinazolin-4-one derivatives bearing ortho-halophenyl groups","CrystEngComm","2019","21","22","3385","","10.1039/C9CE00320G","","","0.71073","MoKα","","0.0853","0.0572","","","0.1196","0.1317","","","","","","1.107","","","","has coordinates","223493","2020-10-21","18:00:00",""
"7232790","10.8013","0.0002","15.1552","0.0003","12.7524","0.0003","90","","94.871","0.001","90","","2079.98","0.07","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H11 I N2 O -","- C15 H11 I N2 O -","- C90 H66 I6 N12 O6 -","6","3","","Imai, Tomomi; Niijima, Erina; Terada, Shumpei; Wzorek, Alicja; Soloshonok, Vadim A.; Hori, Akiko; Kitagawa, Osamu","Chirality-dependent halogen bonds in axially chiral quinazolin-4-one derivatives bearing ortho-halophenyl groups","CrystEngComm","2019","21","22","3385","","10.1039/C9CE00320G","","","0.71073","MoKα","","0.0188","0.0181","","","0.0369","0.0373","","","","","","1.074","","","","has coordinates","223493","2020-10-21","18:00:00",""
"7232791","6.4513","0.0003","7.9032","0.0003","23.1654","0.0009","90","","96.107","0.001","90","","1174.41","0.08","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 F N2 O -","- C15 H11 F N2 O -","- C60 H44 F4 N8 O4 -","4","1","","Imai, Tomomi; Niijima, Erina; Terada, Shumpei; Wzorek, Alicja; Soloshonok, Vadim A.; Hori, Akiko; Kitagawa, Osamu","Chirality-dependent halogen bonds in axially chiral quinazolin-4-one derivatives bearing ortho-halophenyl groups","CrystEngComm","2019","21","22","3385","","10.1039/C9CE00320G","","","0.71073","MoKα","","0.043","0.0387","","","0.0953","0.0979","","","","","","1.105","","","","has coordinates,has disorder","223493","2020-10-21","18:00:00",""
"7232792","15.8947","0.0003","21.2266","0.0004","8.0859","0.0001","90","","90","","90","","2728.11","0.08","100","","100","","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C15 H11 I N2 O -","- C15 H11 I N2 O -","- C120 H88 I8 N16 O8 -","8","1","","Imai, Tomomi; Niijima, Erina; Terada, Shumpei; Wzorek, Alicja; Soloshonok, Vadim A.; Hori, Akiko; Kitagawa, Osamu","Chirality-dependent halogen bonds in axially chiral quinazolin-4-one derivatives bearing ortho-halophenyl groups","CrystEngComm","2019","21","22","3385","","10.1039/C9CE00320G","","","0.71073","MoKα","","0.0136","0.0134","","","0.0332","0.0333","","","","","","1.081","","","","has coordinates","223493","2020-10-21","18:00:00",""
"7232802","20.0543","0.0006","8.8607","0.0003","25.1405","0.0008","90","","90","","90","","4467.3","0.2","170","2","170.01","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H26 N2 O2 -","- C28 H26 N2 O2 -","- C224 H208 N16 O16 -","8","1","","Chen, Yating; Zhou, Yibin; Wang, Zhiqiang; Wang, Mengzhu; Gao, Wenxia; Zhou, Yunbing; Liu, Miaochang; Huang, Xiaobo; Wu, Huayue","Enhanced mechanofluorochromic properties of 1,4-dihydropyridine-based fluorescent molecules caused by the introduction of halogen atoms","CrystEngComm","2019","21","29","4258","","10.1039/C9CE00348G","","","1.34139","GaKα","","0.1829","0.0926","","","0.1703","0.2082","","","","","","1.069","","","","has coordinates,has disorder","223468","2020-10-21","18:00:00",""
"7232803","16.755","0.0008","19.747","0.001","7.6891","0.0004","90","","98.211","0.003","90","","2517.9","0.2","170","2","170.02","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 F2 N2 O2 -","- C28 H24 F2 N2 O2 -","- C112 H96 F8 N8 O8 -","4","1","","Chen, Yating; Zhou, Yibin; Wang, Zhiqiang; Wang, Mengzhu; Gao, Wenxia; Zhou, Yunbing; Liu, Miaochang; Huang, Xiaobo; Wu, Huayue","Enhanced mechanofluorochromic properties of 1,4-dihydropyridine-based fluorescent molecules caused by the introduction of halogen atoms","CrystEngComm","2019","21","29","4258","","10.1039/C9CE00348G","","","1.34139","GaKα","","0.094","0.0713","","","0.2004","0.219","","","","","","1.056","","","","has coordinates","223468","2020-10-21","18:00:00",""
"7232804","17.384","0.004","19.973","0.005","7.823","0.002","90","","98.17","0.01","90","","2688.7","1.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 Br2 N2 O2 -","- C28 H24 Br2 N2 O2 -","- C112 H96 Br8 N8 O8 -","4","1","","Chen, Yating; Zhou, Yibin; Wang, Zhiqiang; Wang, Mengzhu; Gao, Wenxia; Zhou, Yunbing; Liu, Miaochang; Huang, Xiaobo; Wu, Huayue","Enhanced mechanofluorochromic properties of 1,4-dihydropyridine-based fluorescent molecules caused by the introduction of halogen atoms","CrystEngComm","2019","21","29","4258","","10.1039/C9CE00348G","","","0.71073","MoKα","","0.1311","0.0719","","","0.1798","0.2155","","","","","","1.021","","","","has coordinates","223468","2020-10-21","18:00:00",""
"7232805","17.277","0.002","19.953","0.003","7.804","0.0011","90","","98.811","0.005","90","","2658.5","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 Cl2 N2 O2 -","- C28 H24 Cl2 N2 O2 -","- C112 H96 Cl8 N8 O8 -","4","1","","Chen, Yating; Zhou, Yibin; Wang, Zhiqiang; Wang, Mengzhu; Gao, Wenxia; Zhou, Yunbing; Liu, Miaochang; Huang, Xiaobo; Wu, Huayue","Enhanced mechanofluorochromic properties of 1,4-dihydropyridine-based fluorescent molecules caused by the introduction of halogen atoms","CrystEngComm","2019","21","29","4258","","10.1039/C9CE00348G","","","0.71073","MoKα","","0.1443","0.0692","","","0.1488","0.1926","","","","","","1.016","","","","has coordinates","223468","2020-10-21","18:00:00",""
"7232807","7.458","0.0004","10.663","0.0006","15.677","0.0007","82.162","0.002","87.933","0.002","72.31","0.002","1176.64","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","[tetraaqua(5-bromonicotinato-k2O,O')bis(5-bromonicotinato-kO)dysprosium(III)]","","- C18 H17 Br3 Dy N3 O10 -","- C18 H17 Br3 Dy N3 O10 -","- C36 H34 Br6 Dy2 N6 O20 -","2","1","","Ruiz, Cristina; García-Valdivia, Antonio A.; Fernández, Belén; Cepeda, Javier; Oyarzabal, Itziar; Abas, Elisa; Laguna, Mariano; García, Jose Angel; Fernández, Ignacio; San Sebastian, Eider; Rodríguez-Diéguez, Antonio","Multifunctional coordination compounds based on lanthanide ions and 5-bromonicotinic acid: magnetic, luminescence and anti-cancer properties","CrystEngComm","2019","21","25","3881","","10.1039/C9CE00292H","","","0.71073","MoKα","","0.0446","0.0275","","","0.0418","0.0448","","","","","","1.024","","","","has coordinates","223614","2020-10-21","18:00:00",""
"7232808","11.61","0.0005","15.8524","0.0008","16.6978","0.0006","90","","90.443","0.003","90","","3073.1","0.2","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","[tetraaquabis(5-bromonicotinato-kO)ytterbium(III)] [diaquabis(5-bromonicotinato-k2O,O')bis(5-bromonicotinato-kO)dysprosium(III)] bis(5-bromonicotinic acid)","","- C24 H19 Br4 N4 O11 Yb -","- C24 H19 Br4 N4 O11 Yb -","- C96 H76 Br16 N16 O44 Yb4 -","4","1","","Ruiz, Cristina; García-Valdivia, Antonio A.; Fernández, Belén; Cepeda, Javier; Oyarzabal, Itziar; Abas, Elisa; Laguna, Mariano; García, Jose Angel; Fernández, Ignacio; San Sebastian, Eider; Rodríguez-Diéguez, Antonio","Multifunctional coordination compounds based on lanthanide ions and 5-bromonicotinic acid: magnetic, luminescence and anti-cancer properties","CrystEngComm","2019","21","25","3881","","10.1039/C9CE00292H","","","0.71073","MoKα","","0.1166","0.0558","","","0.0721","0.0847","","","","","","1.023","","","","has coordinates","223614","2020-10-21","18:00:00",""
"7232809","10.163","0.0005","11.526","0.0006","11.611","0.0006","88.319","0.002","85.525","0.002","69.254","0.002","1268.03","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","poly-{[triaquabis(mu-5-bromonicotinato-kO:kO')(5-bromonicotinato-kO)neodymium(III)] hydrate}","","- C18 H17 Br3 N3 Nd O10 -","- C18 H17 Br3 N3 Nd O10 -","- C36 H34 Br6 N6 Nd2 O20 -","2","1","","Ruiz, Cristina; García-Valdivia, Antonio A.; Fernández, Belén; Cepeda, Javier; Oyarzabal, Itziar; Abas, Elisa; Laguna, Mariano; García, Jose Angel; Fernández, Ignacio; San Sebastian, Eider; Rodríguez-Diéguez, Antonio","Multifunctional coordination compounds based on lanthanide ions and 5-bromonicotinic acid: magnetic, luminescence and anti-cancer properties","CrystEngComm","2019","21","25","3881","","10.1039/C9CE00292H","","","0.71073","MoKα","","0.0431","0.0278","","","0.0465","0.05","","","","","","1.017","","","","has coordinates,has disorder","223614","2020-10-21","18:00:00",""
"7232810","11.686","0.0006","15.9703","0.0009","16.7415","0.0009","90","","90.246","0.002","90","","3124.4","0.3","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","[tetraaquabis(5-bromonicotinato-kO)terbium(III)][diaquabis(5-bromonicotinato-k2O,O')bis(5-bromonicotinato-kO)terbium(III)] bis(5-bromonicotinic acid)","","- C24 H19 Br4 N4 O11 Tb -","- C24 H19 Br4 N4 O11 Tb -","- C96 H76 Br16 N16 O44 Tb4 -","4","1","","Ruiz, Cristina; García-Valdivia, Antonio A.; Fernández, Belén; Cepeda, Javier; Oyarzabal, Itziar; Abas, Elisa; Laguna, Mariano; García, Jose Angel; Fernández, Ignacio; San Sebastian, Eider; Rodríguez-Diéguez, Antonio","Multifunctional coordination compounds based on lanthanide ions and 5-bromonicotinic acid: magnetic, luminescence and anti-cancer properties","CrystEngComm","2019","21","25","3881","","10.1039/C9CE00292H","","","0.71073","MoKα","","0.0613","0.0355","","","0.0597","0.0666","","","","","","1.03","","","","has coordinates","223614","2020-10-21","18:00:00",""
"7232814","18.4694","0.0007","18.4694","0.0007","61.6922","0.0019","90","","90","","90","","21044.4","1.3","293","2","293","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C104.5 H82 Cl Co4 N16 O24.5 -","- C104.52 H82.04 Cl Co4 N16 O24.5 -","- C836.16 H656.32 Cl8 Co32 N128 O196 -","8","0.25","","Cui, Lian-sheng; Meng, Xiang-min; Li, Yong-gang; Huang, Ke-rui; Li, Yuan-cheng; Long, Jin-qiao; Yao, Peng-fei","Syntheses, structural diversity, and photocatalytic-degradation properties for methylene blue of Co(ii) and Ni(ii) MOFs based on terephthalic acid and different imidazole bridging ligands","CrystEngComm","2019","21","25","3798","","10.1039/C9CE00433E","","","0.71073","MoKα","","0.1448","0.1276","","","0.2955","0.3064","","","","","","1.317","","","","has coordinates,has disorder","223613","2020-10-21","18:00:00",""
"7232815","10.7442","0.0017","12.3398","0.0019","12.8388","0.0018","66.107","0.005","78.733","0.006","82.276","0.006","1523.4","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H58 N12 Ni2 O12 -","- C70 H58 N12 Ni2 O12 -","- C70 H58 N12 Ni2 O12 -","1","0.5","","Cui, Lian-sheng; Meng, Xiang-min; Li, Yong-gang; Huang, Ke-rui; Li, Yuan-cheng; Long, Jin-qiao; Yao, Peng-fei","Syntheses, structural diversity, and photocatalytic-degradation properties for methylene blue of Co(ii) and Ni(ii) MOFs based on terephthalic acid and different imidazole bridging ligands","CrystEngComm","2019","21","25","3798","","10.1039/C9CE00433E","","","0.71073","MoKα","","0.1234","0.061","","","0.1311","0.1775","","","","","","1.073","","","","has coordinates","223613","2020-10-21","18:00:00",""
"7232816","6.3774","0.0004","17.5788","0.0011","22.2159","0.0016","90","","93.83","0.007","90","","2485","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 N4 Ni O7 -","- C26 H22 N4 Ni O7 -","- C104 H88 N16 Ni4 O28 -","4","1","","Cui, Lian-sheng; Meng, Xiang-min; Li, Yong-gang; Huang, Ke-rui; Li, Yuan-cheng; Long, Jin-qiao; Yao, Peng-fei","Syntheses, structural diversity, and photocatalytic-degradation properties for methylene blue of Co(ii) and Ni(ii) MOFs based on terephthalic acid and different imidazole bridging ligands","CrystEngComm","2019","21","25","3798","","10.1039/C9CE00433E","","","0.71073","MoKα","","0.0669","0.0456","","","0.0996","0.1083","","","","","","1.068","","","","has coordinates","223613","2020-10-21","18:00:00",""
"7232817","13.1863","0.0005","17.4063","0.0007","9.3405","0.0004","90","","90","","90","","2143.88","0.15","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C26 H18 Co N4 O4 -","- C26 H18 Co N4 O4 -","- C104 H72 Co4 N16 O16 -","4","0.5","","Cui, Lian-sheng; Meng, Xiang-min; Li, Yong-gang; Huang, Ke-rui; Li, Yuan-cheng; Long, Jin-qiao; Yao, Peng-fei","Syntheses, structural diversity, and photocatalytic-degradation properties for methylene blue of Co(ii) and Ni(ii) MOFs based on terephthalic acid and different imidazole bridging ligands","CrystEngComm","2019","21","25","3798","","10.1039/C9CE00433E","","","0.71073","MoKα","","0.0305","0.0266","","","0.0687","0.0708","","","","","","1.059","","","","has coordinates","223613","2020-10-21","18:00:00",""
"7232818","21.3071","0.0014","17.9878","0.001","19.088","0.0011","90","","96.875","0.007","90","","7263.2","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H38 Co4 N12 O14 -","- C54 H38 Co4 N12 O14 -","- C216 H152 Co16 N48 O56 -","4","0.5","","Cui, Lian-sheng; Meng, Xiang-min; Li, Yong-gang; Huang, Ke-rui; Li, Yuan-cheng; Long, Jin-qiao; Yao, Peng-fei","Syntheses, structural diversity, and photocatalytic-degradation properties for methylene blue of Co(ii) and Ni(ii) MOFs based on terephthalic acid and different imidazole bridging ligands","CrystEngComm","2019","21","25","3798","","10.1039/C9CE00433E","","","0.71073","MoKα","","0.0825","0.0558","","","0.1386","0.1487","","","","","","1.031","","","","has coordinates,has disorder","223613","2020-10-21","18:00:00",""
"7232819","10.9672","0.0006","17.424","0.0011","11.3309","0.0006","90","","90.75","0.006","90","","2165.1","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Co N4 O6 -","- C22 H22 Co N4 O6 -","- C88 H88 Co4 N16 O24 -","4","1","","Cui, Lian-sheng; Meng, Xiang-min; Li, Yong-gang; Huang, Ke-rui; Li, Yuan-cheng; Long, Jin-qiao; Yao, Peng-fei","Syntheses, structural diversity, and photocatalytic-degradation properties for methylene blue of Co(ii) and Ni(ii) MOFs based on terephthalic acid and different imidazole bridging ligands","CrystEngComm","2019","21","25","3798","","10.1039/C9CE00433E","","","0.709317","MOKα","","0.1606","0.1231","","","0.2855","0.2999","","","","","","1.2","","","","has coordinates","223613","2020-10-21","18:00:00",""
"7232823","4.531","0.0007","11.5783","0.0001","15.7188","0.0002","90","","93.69","0.01","90","","822.92","0.13","","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Theophylline","1,3-dimethylxanthine","","- C7 H8 N4 O2 -","- C7 H8 N4 O2 -","- C28 H32 N16 O8 -","4","1","","Larsen, Anders S.; Olsen, Mark A.; Moustafa, Hadeel; Larsen, Flemming H.; Sauer, Stephan P. A.; Rantanen, Jukka; Madsen, Anders Ø.","Determining short-lived solid forms during phase transformations using molecular dynamics","CrystEngComm","2019","21","27","4020","","10.1039/C9CE00460B","powder diffraction","x-ray","1.54056","CuKα","","","","","","","","","","8","","","","","","","has coordinates","223503","2020-10-21","18:00:00",""
"7232837","6.4179","0.0005","7.4575","0.0005","10.8598","0.0008","74.881","0.005","74.297","0.005","88.026","0.006","482.68","0.06","205","","205","","","","","","","","","4","P -1","-P 1","2","","","","- C8 H12 N26 O4 -","- C8 H12 N26 O4 -","- C8 H12 N26 O4 -","1","0.5","","Xu, Yuangang; Li, Dongxue; Lin, Qiuhan; Wang, Pengcheng; Lu, Ming","From BTO2− to HBTO− insensitive energetic salt: a route to boost energy","CrystEngComm","2019","21","25","3873","","10.1039/C9CE00690G","","","0.71073","MoKα","","0.0902","0.0579","","","0.1584","0.1748","","","","","","1.009","","","","has coordinates","223616","2020-10-21","18:00:00",""
"7232838","8.9135","0.0017","14.392","0.003","6.7544","0.0014","90","","110.499","0.004","90","","811.6","0.3","205","","205","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H14 N18 O4 -","- C6 H14 N18 O4 -","- C12 H28 N36 O8 -","2","0.5","","Xu, Yuangang; Li, Dongxue; Lin, Qiuhan; Wang, Pengcheng; Lu, Ming","From BTO2− to HBTO− insensitive energetic salt: a route to boost energy","CrystEngComm","2019","21","25","3873","","10.1039/C9CE00690G","","","0.71073","MoKα","","0.0779","0.0556","","","0.1599","0.1751","","","","","","1.03","","","","has coordinates","223616","2020-10-21","18:00:00",""
"7232844","12.1578","0.0003","3.7938","0.0001","23.0837","0.0006","90","","95.103","0.002","90","","1060.5","0.05","294","2","294","1","","","","","","","","5","P 1 c 1","P -2yc","7","CmpF","4-Fluorobenzene-N-3-pyridylcarbamate","","- C12 H9 F N2 O2 -","- C12 H9 F N2 O2 -","- C48 H36 F4 N8 O8 -","4","2","","Mocilac, Pavle; Gallagher, John F.","Monohalogenated carbamates where hydrogen bonding rules without halogen bonding: is there a link between poor carbamate crystal growth and Z′ > 1?","CrystEngComm","2019","21","27","4048","","10.1039/C9CE00318E","","","0.71073","MoKα","","0.0493","0.0431","","","0.1012","0.1061","","","","","","1.07","","","","has coordinates","223504","2020-10-21","18:00:00",""
"7232845","12.0058","0.0009","3.7726","0.0006","24.477","0.003","90","","93.046","0.011","90","","1107.1","0.2","294","2","294","1","","","","","","","","5","I 1 a 1","I -2ya","9","CmmCl","3-Chlorophenyl-N-3-pyridylcarbamate","","- C12 H9 Cl N2 O2 -","- C12 H9 Cl N2 O2 -","- C48 H36 Cl4 N8 O8 -","4","1","","Mocilac, Pavle; Gallagher, John F.","Monohalogenated carbamates where hydrogen bonding rules without halogen bonding: is there a link between poor carbamate crystal growth and Z′ > 1?","CrystEngComm","2019","21","27","4048","","10.1039/C9CE00318E","","","0.71073","MoKα","","0.1426","0.0808","","","0.1828","0.233","","","","","","1.046","","","","has coordinates","223504","2020-10-21","18:00:00",""
"7232846","13.2502","0.0003","3.8621","0.0001","22.9979","0.0008","90","","94.861","0.002","90","","1172.65","0.06","294","2","294","1","","","","","","","","5","P 1 c 1","P -2yc","7","CmpBr","4-Bromobenzene-N-3-pyridylcarbamate","","- C12 H9 Br N2 O2 -","- C12 H9 Br N2 O2 -","- C48 H36 Br4 N8 O8 -","4","2","","Mocilac, Pavle; Gallagher, John F.","Monohalogenated carbamates where hydrogen bonding rules without halogen bonding: is there a link between poor carbamate crystal growth and Z′ > 1?","CrystEngComm","2019","21","27","4048","","10.1039/C9CE00318E","","","0.71073","MoKα","","0.0888","0.0499","","","0.0776","0.0902","","","","","","1.029","","","","has coordinates","223504","2020-10-21","18:00:00",""
"7232847","26.1331","0.0019","3.7572","0.0003","11.9066","0.0007","90","","115.765","0.008","90","","1052.85","0.15","294","2","294","1","","","","","","","","5","C 1 c 1","C -2yc","9","CmmF","3-Fluorophenyl-N-3-pyridylcarbamate","","- C12 H9 F N2 O2 -","- C12 H9 F N2 O2 -","- C48 H36 F4 N8 O8 -","4","1","","Mocilac, Pavle; Gallagher, John F.","Monohalogenated carbamates where hydrogen bonding rules without halogen bonding: is there a link between poor carbamate crystal growth and Z′ > 1?","CrystEngComm","2019","21","27","4048","","10.1039/C9CE00318E","","","0.71073","MoKα","","0.0664","0.0529","","","0.1163","0.1255","","","","","","1.071","","","","has coordinates","223504","2020-10-21","18:00:00",""
"7232848","3.8471","0.0004","11.6218","0.0019","12.467","0.002","108.261","0.015","90.417","0.011","95.461","0.011","526.52","0.14","294","2","294","1","","","","","","","","5","P -1","-P 1","2","CopF","4-Fluorophenyl-N-2-pyridylcarbamate","","- C12 H9 F N2 O2 -","- C12 H9 F N2 O2 -","- C24 H18 F2 N4 O4 -","2","1","","Mocilac, Pavle; Gallagher, John F.","Monohalogenated carbamates where hydrogen bonding rules without halogen bonding: is there a link between poor carbamate crystal growth and Z′ > 1?","CrystEngComm","2019","21","27","4048","","10.1039/C9CE00318E","","","0.71073","MoKα","","0.0823","0.0456","","","0.0962","0.1144","","","","","","1.023","","","","has coordinates","223504","2020-10-21","18:00:00",""
"7232849","3.8776","0.0009","11.481","0.004","13.085","0.005","105.84","0.03","90.64","0.02","92.82","0.02","559.5","0.3","294","2","294","1","","","","","","","","5","P -1","-P 1","2","CopCl","4-Chlorophenyl-N-2-pyridylcarbamate","","- C12 H9 Cl N2 O2 -","- C12 H9 Cl N2 O2 -","- C24 H18 Cl2 N4 O4 -","2","1","","Mocilac, Pavle; Gallagher, John F.","Monohalogenated carbamates where hydrogen bonding rules without halogen bonding: is there a link between poor carbamate crystal growth and Z′ > 1?","CrystEngComm","2019","21","27","4048","","10.1039/C9CE00318E","","","0.71073","MoKα","","0.1604","0.0787","","","0.1726","0.2243","","","","","","0.998","","","","has coordinates","223504","2020-10-21","18:00:00",""
"7232850","11.349","0.006","3.9443","0.0016","26.137","0.008","90","","101.34","0.05","90","","1147.2","0.9","294","2","294","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","CopBr","4-Bromophenyl-N-2-pyridylcarbamate","","- C12 H9 Br N2 O2 -","- C12 H9 Br N2 O2 -","- C48 H36 Br4 N8 O8 -","4","1","","Mocilac, Pavle; Gallagher, John F.","Monohalogenated carbamates where hydrogen bonding rules without halogen bonding: is there a link between poor carbamate crystal growth and Z′ > 1?","CrystEngComm","2019","21","27","4048","","10.1039/C9CE00318E","","x-ray","1.54184","CuKα","","0.0927","0.0702","","","0.1876","0.2152","","","","","","1.03","","","","has coordinates","223504","2020-10-21","18:00:00",""
"7232851","3.8827","0.0005","24.756","0.002","17.742","0.002","90","","91.789","0.014","90","","1704.5","0.3","294","2","294","1","","","","","","","","5","P 1 21 1","P 2yb","4","CmmBr","3-Bromophenyl-N-3-pyridylcarbamate","","- C12 H9 Br N2 O2 -","- C12 H9 Br N2 O2 -","- C72 H54 Br6 N12 O12 -","6","3","","Mocilac, Pavle; Gallagher, John F.","Monohalogenated carbamates where hydrogen bonding rules without halogen bonding: is there a link between poor carbamate crystal growth and Z′ > 1?","CrystEngComm","2019","21","27","4048","","10.1039/C9CE00318E","","","0.71073","MoKα","","0.2284","0.0517","","","0.0745","0.0958","","","","","","0.63","","","","has coordinates","223504","2020-10-21","18:00:00",""
"7232852","12.9792","0.0003","3.8079","0.0001","23.0781","0.0006","90","","95.036","0.002","90","","1136.2","0.05","294","2","294","1","","","","","","","","5","P 1 c 1","P -2yc","7","CmpCl","4-Chlorobenzene-N-3-pyridylcarbamate","","- C12 H9 Cl N2 O2 -","- C12 H9 Cl N2 O2 -","- C48 H36 Cl4 N8 O8 -","4","2","","Mocilac, Pavle; Gallagher, John F.","Monohalogenated carbamates where hydrogen bonding rules without halogen bonding: is there a link between poor carbamate crystal growth and Z′ > 1?","CrystEngComm","2019","21","27","4048","","10.1039/C9CE00318E","","","0.71073","MoKα","","0.0556","0.0472","","","0.1212","0.1285","","","","","","1.11","","","","has coordinates","223504","2020-10-21","18:00:00",""
"7232857","5.767","0.005","10.249","0.009","16.039","0.014","90","","90","","90","","948","1.4","138","2","138","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","IIa","Phenyl pyrazine-2-carboxylate (IIa)","","- C11 H8 N2 O2 -","- C11 H8 N2 O2 -","- C44 H32 N8 O8 -","4","1","","Samie, Ali; Salimi, Alireza","Orientation-dependent conformational polymorphs in two similar pyridine/pyrazine phenolic esters","CrystEngComm","2019","21","24","3721","","10.1039/C8CE02107D","","","0.71073","MoKα","","0.0572","0.0565","","","0.1271","0.1281","","","","","","1.063","","","","has coordinates","223476","2020-10-21","18:00:00",""
"7232858","12.657","0.015","5.606","0.007","13.836","0.016","90","","93.939","0.012","90","","979","2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","IIb","Phenyl pyrazine-2-carboxylate (IIb)","","- C11 H8 N2 O2 -","- C11 H8 N2 O2 -","- C44 H32 N8 O8 -","4","1","","Samie, Ali; Salimi, Alireza","Orientation-dependent conformational polymorphs in two similar pyridine/pyrazine phenolic esters","CrystEngComm","2019","21","24","3721","","10.1039/C8CE02107D","","","0.71073","MoKα","","0.0675","0.0556","","","0.148","0.1583","","","","","","1.072","","","","has coordinates","223476","2020-10-21","18:00:00",""
"7232859","7.994","0.015","6.095","0.012","20.94","0.04","90","","94.2","0.02","90","","1018","3","143","2","143","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Ib","Phenyl pyridine-2-carboxylate (Ib)","","- C12 H9 N O2 -","- C12 H9 N O2 -","- C48 H36 N4 O8 -","4","1","","Samie, Ali; Salimi, Alireza","Orientation-dependent conformational polymorphs in two similar pyridine/pyrazine phenolic esters","CrystEngComm","2019","21","24","3721","","10.1039/C8CE02107D","","","0.71073","MoKα","","0.1675","0.1266","","","0.3342","0.3771","","","","","","1.081","","","","has coordinates","223476","2020-10-21","18:00:00",""
"7232860","14.759","0.003","6.9112","0.0019","20.003","0.005","90","","90","","90","","2040.4","0.9","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Ia","Phenyl pyridine-2-carboxylate (Ia)","","- C12 H9 N O2 -","- C12 H9 N O2 -","- C96 H72 N8 O16 -","8","1","","Samie, Ali; Salimi, Alireza","Orientation-dependent conformational polymorphs in two similar pyridine/pyrazine phenolic esters","CrystEngComm","2019","21","24","3721","","10.1039/C8CE02107D","","","0.71073","MoKα","","0.2079","0.0913","","","0.1491","0.1894","","","","","","1.095","","","","has coordinates","223476","2020-10-21","18:00:00",""
"7232869","26.343","0.007","26.343","0.007","37.301","0.011","90","","90","","90","","25885","12","150","","150","","","","","","","","","5","I -4 c 2","I -4 -2c","120","","","","- C21 H3 Mn5 N6 O24 -","- C21 H3 Mn5 N6 O24 -","- C336 H48 Mn80 N96 O384 -","16","1","","Zhang, Tao; Ling, Bo-Kai; Hu, Yue-Qiao; Han, Tian; Zheng, Yan-Zhen","An anionic manganese(ii) metal‒organic framework for uranyl adsorption","CrystEngComm","2019","21","26","3901","","10.1039/C9CE00603F","","","0.71073","MoKα","","0.1094","0.0926","","","0.2405","0.2546","","","","","","1.044","","","","has coordinates","223572","2020-10-21","18:00:00",""
"7232872","4.9159","0.0007","8.8894","0.0018","9.226","0.003","111.71","0.02","103.03","0.02","90.97","0.01","362.68","0.16","295","2","295","2","","","","","","","","4","P -1","-P 1","2","Trifluoroethanol","2,2,2-Trifluoroethanol","","- C2 H3 F3 O -","- C2 H3 F3 O -","- C8 H12 F12 O4 -","4","2","","Barnett, S. A.; Allan, D. R.","The high-pressure and low-temperature structural behaviour of 2,2,2-trifluoroethanol","CrystEngComm","2019","21","30","4501","","10.1039/C9CE00485H","","","0.4859","Synchrotron","","0.0736","0.0478","","","0.1267","0.143","","","","","","1.088","","","","has coordinates","223666","2020-10-21","18:00:00",""
"7232873","8.604","0.0007","10.0578","0.0008","9.1461","0.0008","90","","90","","90","","791.48","0.11","229","2","229","2","","","","","","","","4","P c a 21","P 2c -2ac","29","Trifluoroethanol","2,2,2-Trifluoroethanol","","- C2 H3 F3 O -","- C2 H3 F3 O -","- C16 H24 F24 O8 -","8","2","","Barnett, S. A.; Allan, D. R.","The high-pressure and low-temperature structural behaviour of 2,2,2-trifluoroethanol","CrystEngComm","2019","21","30","4501","","10.1039/C9CE00485H","","","0.4859","Synchrotron","","0.0845","0.0331","","","0.0868","0.1058","","","","","","0.875","","","","has coordinates","223666","2020-10-21","18:00:00",""
"7232876","7.1314","0.0002","10.4809","0.0002","16.7109","0.0004","80.5779","0.0012","86.4941","0.0012","79.2821","0.0012","1210.08","0.05","123","","123","","","","","","","","","6","P -1","-P 1","2","","1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid 1,2-benzisothiazol-3(2H)-one 1,1-dioxide","","- C26 H21 Cl N2 O7 S -","- C26 H21 Cl N2 O7 S -","- C52 H42 Cl2 N4 O14 S2 -","2","1","","Connor, Lauren E.; Vassileiou, Antony D.; Halbert, Gavin W.; Johnston, Blair F.; Oswald, Iain D. H.","Structural investigation and compression of a co-crystal of indomethacin and saccharin","CrystEngComm","2019","21","30","4465","","10.1039/C9CE00838A","","x-ray","0.71073","MoKα","","0.0927","0.047","","","0.1064","0.1246","","","","","","1.057","","","","has coordinates","223669","2020-10-21","18:00:00",""
"7232877","6.7109","0.0004","9.4367","0.0012","16.2988","0.0017","77.132","0.009","84.534","0.007","81.962","0.009","994.17","0.18","297","","297","","","","","","","","","6","P -1","-P 1","2","","1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid 1,2-benzisothiazol-3(2H)-one 1,1-dioxide","","- C26 H21 Cl N2 O7 S -","- C26 H21 Cl N2 O7 S -","- C52 H42 Cl2 N4 O14 S2 -","2","1","","Connor, Lauren E.; Vassileiou, Antony D.; Halbert, Gavin W.; Johnston, Blair F.; Oswald, Iain D. H.","Structural investigation and compression of a co-crystal of indomethacin and saccharin","CrystEngComm","2019","21","30","4465","","10.1039/C9CE00838A","","x-ray","0.71073","MoKα","","0.0857","0.0651","","","0.1406","0.1526","","","","","","1.048","","","","has coordinates","223669","2020-10-21","18:00:00",""
"7232878","6.7888","0.0003","9.6045","0.0011","16.3703","0.0016","77.764","0.008","84.858","0.006","81.297","0.008","1029.3","0.17","297","","297","","","","","","","","","6","P -1","-P 1","2","","?1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid 1,2-benzisothiazol-3(2H)-one 1,1-dioxide","","- C26 H21 Cl N2 O7 S -","- C26 H21 Cl N2 O7 S -","- C52 H42 Cl2 N4 O14 S2 -","2","1","","Connor, Lauren E.; Vassileiou, Antony D.; Halbert, Gavin W.; Johnston, Blair F.; Oswald, Iain D. H.","Structural investigation and compression of a co-crystal of indomethacin and saccharin","CrystEngComm","2019","21","30","4465","","10.1039/C9CE00838A","","x-ray","0.71073","MoKα","","0.0839","0.0639","","","0.1519","0.1627","","","","","","1.09","","","","has coordinates","223669","2020-10-21","18:00:00",""
"7232879","6.7561","0.0003","9.5308","0.0011","16.3385","0.0016","77.508","0.008","84.71","0.006","81.556","0.008","1014.02","0.16","297","","297","","","","","","","","","6","P -1","-P 1","2","","1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid 1,2-benzisothiazol-3(2H)-one 1,1-dioxide","","- C26 H21 Cl N2 O7 S -","- C26 H21 Cl N2 O7 S -","- C52 H42 Cl2 N4 O14 S2 -","2","1","","Connor, Lauren E.; Vassileiou, Antony D.; Halbert, Gavin W.; Johnston, Blair F.; Oswald, Iain D. H.","Structural investigation and compression of a co-crystal of indomethacin and saccharin","CrystEngComm","2019","21","30","4465","","10.1039/C9CE00838A","","x-ray","0.71073","MoKα","","0.0847","0.0638","","","0.145","0.1569","","","","","","1.074","","","","has coordinates","223669","2020-10-21","18:00:00",""
"7232880","6.9301","0.0004","9.942","0.0007","16.514","0.003","79.013","0.011","85.441","0.01","80.339","0.005","1099.8","0.2","297","","297","","","","","","","","","6","P -1","-P 1","2","","1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid 1,2-benzisothiazol-3(2H)-one 1,1-dioxide","","- C26 H21 Cl N2 O7 S -","- C26 H21 Cl N2 O7 S -","- C52 H42 Cl2 N4 O14 S2 -","2","1","","Connor, Lauren E.; Vassileiou, Antony D.; Halbert, Gavin W.; Johnston, Blair F.; Oswald, Iain D. H.","Structural investigation and compression of a co-crystal of indomethacin and saccharin","CrystEngComm","2019","21","30","4465","","10.1039/C9CE00838A","","x-ray","0.71073","MoKα","","0.0953","0.0591","","","0.1257","0.1487","","","","","","1.086","","","","has coordinates","223669","2020-10-21","18:00:00",""
"7232881","7.0133","0.0006","10.155","0.002","16.607","0.003","79.683","0.014","85.829","0.011","79.844","0.014","1144.4","0.3","297","","297","","","","","","","","","6","P -1","-P 1","2","","1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid 1,2-benzisothiazol-3(2H)-one 1,1-dioxide","","- C26 H21 Cl N2 O7 S -","- C26 H21 Cl N2 O7 S -","- C52 H42 Cl2 N4 O14 S2 -","2","1","","Connor, Lauren E.; Vassileiou, Antony D.; Halbert, Gavin W.; Johnston, Blair F.; Oswald, Iain D. H.","Structural investigation and compression of a co-crystal of indomethacin and saccharin","CrystEngComm","2019","21","30","4465","","10.1039/C9CE00838A","","x-ray","0.71073","MoKα","","0.1067","0.0657","","","0.1439","0.1662","","","","","","1.055","","","","has coordinates","223669","2020-10-21","18:00:00",""
"7232882","6.6623","0.0003","9.3453","0.0011","16.2637","0.0015","76.764","0.008","84.331","0.006","82.375","0.008","974.52","0.16","297","","297","","","","","","","","","6","P -1","-P 1","2","","1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid 1,2-benzisothiazol-3(2H)-one 1,1-dioxide","","- C26 H21 Cl N2 O7 S -","- C26 H21 Cl N2 O7 S -","- C52 H42 Cl2 N4 O14 S2 -","2","1","","Connor, Lauren E.; Vassileiou, Antony D.; Halbert, Gavin W.; Johnston, Blair F.; Oswald, Iain D. H.","Structural investigation and compression of a co-crystal of indomethacin and saccharin","CrystEngComm","2019","21","30","4465","","10.1039/C9CE00838A","","x-ray","0.71073","MoKα","","0.0893","0.0671","","","0.1714","0.1864","","","","","","1.09","","","","has coordinates","223669","2020-10-21","18:00:00",""
"7232883","7.958","0.003","9.582","0.003","11.27","0.004","92.09","0.03","90.88","0.03","114.23","0.03","782.7","0.5","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C14 H44 Cu N4 O23 P4 -","- C14 H44 Cu N4 O23 P4 -","- C14 H44 Cu N4 O23 P4 -","1","1","","Rojek, Tomasz; Goldeman, Waldemar; Ślepokura, Katarzyna; Zierkiewicz, Wiktor; Matczak-Jon, Ewa","Deciphering preferred solid-state conformations in nitrogen-containing bisphosphonates and their coordination compounds. A case study of discrete Cu(ii) complexes based on Cα-substituted analogues of zoledronic acid: crystal structures and solid-state characterization","CrystEngComm","2019","21","29","4340","","10.1039/C9CE00614A","","","0.71073","MoKα","","0.0535","0.0518","","","0.1327","0.1358","","","","","","1.055","","","","has coordinates","223467","2020-10-21","18:00:00",""
"7232884","6.874","0.002","10.174","0.004","9.995","0.003","98.32","0.03","94.13","0.03","90.84","0.03","689.6","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H34 Cu N4 O16 P4 -","- C18 H34 Cu N4 O16 P4 -","- C18 H34 Cu N4 O16 P4 -","1","0.5","","Rojek, Tomasz; Goldeman, Waldemar; Ślepokura, Katarzyna; Zierkiewicz, Wiktor; Matczak-Jon, Ewa","Deciphering preferred solid-state conformations in nitrogen-containing bisphosphonates and their coordination compounds. A case study of discrete Cu(ii) complexes based on Cα-substituted analogues of zoledronic acid: crystal structures and solid-state characterization","CrystEngComm","2019","21","29","4340","","10.1039/C9CE00614A","","","0.71073","MoKα","","0.0599","0.0457","","","0.1029","0.1117","","","","","","1.044","","","","has coordinates","223467","2020-10-21","18:00:00",""
"7232885","6.862","0.004","9.864","0.005","9.939","0.005","95.54","0.03","93.89","0.03","92.28","0.03","667.3","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H30 Cu N4 O16 P4 -","- C16 H30 Cu N4 O16 P4 -","- C16 H30 Cu N4 O16 P4 -","1","0.5","","Rojek, Tomasz; Goldeman, Waldemar; Ślepokura, Katarzyna; Zierkiewicz, Wiktor; Matczak-Jon, Ewa","Deciphering preferred solid-state conformations in nitrogen-containing bisphosphonates and their coordination compounds. A case study of discrete Cu(ii) complexes based on Cα-substituted analogues of zoledronic acid: crystal structures and solid-state characterization","CrystEngComm","2019","21","29","4340","","10.1039/C9CE00614A","","","0.71073","MoKα","","0.0516","0.0408","","","0.0984","0.106","","","","","","1.05","","","","has coordinates","223467","2020-10-21","18:00:00",""
"7232892","4.7678","0.0005","11.4567","0.0014","15.8287","0.0017","96.008","0.004","95.799","0.004","91.296","0.004","854.98","0.17","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H15 Mn N4 O9 -","- C14 H15 Mn N4 O9 -","- C28 H30 Mn2 N8 O18 -","2","1","","Li, Zhong-Yi; Wang, Wen-Jing; Wu, Dong-Qing; Zhang, Chi; Zhang, Fu-Li; Zhai, Bin; Zhang, Jian-Jun","Two 1D carboxylate-bridged magnets displaying solvent-dependent canted antiferromagnetic ordering","CrystEngComm","2019","21","27","4098","","10.1039/C9CE00640K","","","0.71073","MoKα","","0.0539","0.0388","","","0.0845","0.0899","","","","","","1.062","","","","has coordinates","223502","2020-10-21","18:00:00",""
"7232893","4.7674","0.0005","15.2901","0.0014","15.8525","0.0015","82.467","0.004","89.755","0.004","87.662","0.004","1144.63","0.19","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H22 Mn N5 O9.5 -","- C17 H21 Mn N5 O9.5 -","- C34 H42 Mn2 N10 O19 -","2","1","","Li, Zhong-Yi; Wang, Wen-Jing; Wu, Dong-Qing; Zhang, Chi; Zhang, Fu-Li; Zhai, Bin; Zhang, Jian-Jun","Two 1D carboxylate-bridged magnets displaying solvent-dependent canted antiferromagnetic ordering","CrystEngComm","2019","21","27","4098","","10.1039/C9CE00640K","","","0.71073","MoKα","","0.0507","0.04","","","0.1092","0.1139","","","","","","1.09","","","","has coordinates,has disorder","223502","2020-10-21","18:00:00",""
"7232894","5.6594","0.0005","7.2685","0.0007","17.267","0.002","90","","94.508","0.009","90","","708.09","0.12","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H17 N O4 -","- C17 H17 N O4 -","- C34 H34 N2 O8 -","2","1","","Sasmal, Supriya; Maji, Krishnendu; Díaz Díaz, David; Haldar, Debasish","Highly selective metallogel from 4-biphenylcarboxy capped diphenylalanine and FeCl3","CrystEngComm","2019","21","29","4289","","10.1039/C9CE00695H","","x-ray","0.71073","MoKα","","0.0614","0.0518","","","0.1148","0.1213","","","","","","1.06","","","","has coordinates","223470","2020-10-21","18:00:00",""
"7232895","5.0318","0.0003","8.6573","0.0005","43.325","0.002","90","","90","","90","","1887.32","0.18","123","30","123","30","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 N O4 -","- C23 H21 N O4 -","- C92 H84 N4 O16 -","4","1","","Sasmal, Supriya; Maji, Krishnendu; Díaz Díaz, David; Haldar, Debasish","Highly selective metallogel from 4-biphenylcarboxy capped diphenylalanine and FeCl3","CrystEngComm","2019","21","29","4289","","10.1039/C9CE00695H","","x-ray","1.54184","CuKα","","0.0788","0.0732","","","0.179","0.1869","","","","","","1.051","","","","has coordinates","223470","2020-10-21","18:00:00",""
"7232896","13.7","0.004","5.4468","0.0008","7.8567","0.0011","90","","98.401","0.018","90","","580","0.2","296.15","","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","methoxybenzene","","- C7 H8 O -","- C7 H8 O -","- C28 H32 O4 -","4","1","","Smith, Ellie Louvain; Ridout, Joe; Sellars, Jonathan David; Probert, Michael Richard","A structural exploration of anisole accessed through extreme crystallisation conditions","CrystEngComm","2019","21","30","4422","","10.1039/C9CE00870E","","x-ray","0.56086","AgKα","","0.0616","0.0362","","","0.073","0.0898","","","","","","1.133","","","","has coordinates","223667","2020-10-21","18:00:00",""
"7232897","13.6132","0.0007","14.5917","0.0008","6.2617","0.0003","90","","95.935","0.002","90","","1237.16","0.11","224","","224","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","methoxybenzene","","- C7 H8 O -","- C7 H8 O -","- C56 H64 O8 -","8","2","","Smith, Ellie Louvain; Ridout, Joe; Sellars, Jonathan David; Probert, Michael Richard","A structural exploration of anisole accessed through extreme crystallisation conditions","CrystEngComm","2019","21","30","4422","","10.1039/C9CE00870E","","x-ray","1.54178","CuKα","","0.0544","0.0511","","","0.1523","0.1557","","","","","","1.103","","","","has coordinates","223667","2020-10-21","18:00:00",""
"7232898","5.3219","0.0003","29.6921","0.0019","5.6591","0.0004","90","","99.122","0.004","90","","882.93","0.1","298","2","298","2","","","","","","","synthesis","7","I 1 m 1","I -2y","8","AgLNa*0.5H2O","","","- C20 H28 Ag4 N8 Na4 O18 S4 -","- C5 H6 Ag N2 Na O3.907 S -","- C20 H24 Ag4 N8 Na4 O15.628 S4 -","4","1","","Brenna, Stefano; Ardizzoia, G. Attilio; Colombo, Valentina; Sironi, Angelo","A silver(i) coordination polymer with sodium 3,5-dimethyl-4-sulfonate pyrazolate: a nice example of PXRD structure solution and time-driven crystallization","CrystEngComm","2019","21","31","4586","","10.1039/C9CE00761J","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","223674","2020-10-21","18:00:00",""
"7232899","12.2512","0.001","18.0542","0.0015","20.8644","0.0015","90","","96.61","0.007","90","","4584.2","0.6","102","2","102","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C52 H42 Cu F3 N4 O4 P2 S -","- C52 H42 Cu F3 N4 O4 P2 S -","- C208 H168 Cu4 F12 N16 O16 P8 S4 -","4","1","","Zhu, Ning; Wang, Guo; Lin, Sen; Li, Zhong-Feng; Xin, Xiu-Lan; Yang, Yu-Ping; Liu, Min; Jin, Qiong-Hua","New discovery in crystallography: correlation of terahertz time-domain spectra with crystal structures and photoluminescence properties of mononuclear/binuclear diimine‒Cu(i)-phosphine complexes","CrystEngComm","2019","21","29","4275","","10.1039/C9CE00729F","","","0.71073","MoKα","","0.0945","0.083","","","0.1711","0.1774","","","","","","1.051","","","","has coordinates,has disorder","223466","2020-10-21","18:00:00",""
"7232900","10.139","0.0011","10.9355","0.0012","19.6442","0.0018","88.137","0.002","75.352","0.001","83.427","0.002","2093.4","0.4","298","2","298","2","","","","","","","","8","P -1","-P 1","2","","","","- C43 H38 Cu F3 N4 O4 P2 S -","- C43 H38 Cu F3 N4 O4 P2 S -","- C86 H76 Cu2 F6 N8 O8 P4 S2 -","2","1","","Zhu, Ning; Wang, Guo; Lin, Sen; Li, Zhong-Feng; Xin, Xiu-Lan; Yang, Yu-Ping; Liu, Min; Jin, Qiong-Hua","New discovery in crystallography: correlation of terahertz time-domain spectra with crystal structures and photoluminescence properties of mononuclear/binuclear diimine‒Cu(i)-phosphine complexes","CrystEngComm","2019","21","29","4275","","10.1039/C9CE00729F","","","0.71073","MoKα","","0.0855","0.05","","","0.1113","0.1218","","","","","","1.038","","","","has coordinates,has disorder","223466","2020-10-21","18:00:00",""
"7232901","13.5532","0.0012","13.5532","0.0012","46.356","0.003","90","","90","","90","","8515.1","1.2","298","2","298","2","","","","","","","","8","P 41","P 4w","76","","","","- C88 H64 Cu2 F6 N8 O6 P4 S2 -","- C88 H64 Cu2 F6 N8 O6 P4 S2 -","- C352 H256 Cu8 F24 N32 O24 P16 S8 -","4","1","","Zhu, Ning; Wang, Guo; Lin, Sen; Li, Zhong-Feng; Xin, Xiu-Lan; Yang, Yu-Ping; Liu, Min; Jin, Qiong-Hua","New discovery in crystallography: correlation of terahertz time-domain spectra with crystal structures and photoluminescence properties of mononuclear/binuclear diimine‒Cu(i)-phosphine complexes","CrystEngComm","2019","21","29","4275","","10.1039/C9CE00729F","","","0.71073","MoKα","","0.1969","0.0904","","","0.1551","0.1731","","","","","","1.081","","","","has coordinates,has disorder","223466","2020-10-21","18:00:00",""
"7232902","13.0082","0.0012","23.906","0.002","26.452","0.003","90","","101.248","0.003","90","","8067.9","1.4","298","2","298","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C80 H60 Cu2 F6 N8 O6 P4 S2 -","- C80 H60 Cu2 F6 N8 O6 P4 S2 -","- C320 H240 Cu8 F24 N32 O24 P16 S8 -","4","0.5","","Zhu, Ning; Wang, Guo; Lin, Sen; Li, Zhong-Feng; Xin, Xiu-Lan; Yang, Yu-Ping; Liu, Min; Jin, Qiong-Hua","New discovery in crystallography: correlation of terahertz time-domain spectra with crystal structures and photoluminescence properties of mononuclear/binuclear diimine‒Cu(i)-phosphine complexes","CrystEngComm","2019","21","29","4275","","10.1039/C9CE00729F","","","0.71073","MoKα","","0.1116","0.0569","","","0.1328","0.1477","","","","","","1.097","","","","has coordinates,has disorder","223466","2020-10-21","18:00:00",""
"7232903","10.7793","0.0005","14.5171","0.0005","17.3228","0.0006","74.306","0.003","79.899","0.003","70.639","0.004","2451.12","0.18","103.7","","103.7","","","","","","","","","8","P -1","-P 1","2","","","","- C56 H44 Cu F3 N4 O4 P2 S -","- C56 H44 Cu F3 N4 O4 P2 S -","- C112 H88 Cu2 F6 N8 O8 P4 S2 -","2","1","","Zhu, Ning; Wang, Guo; Lin, Sen; Li, Zhong-Feng; Xin, Xiu-Lan; Yang, Yu-Ping; Liu, Min; Jin, Qiong-Hua","New discovery in crystallography: correlation of terahertz time-domain spectra with crystal structures and photoluminescence properties of mononuclear/binuclear diimine‒Cu(i)-phosphine complexes","CrystEngComm","2019","21","29","4275","","10.1039/C9CE00729F","","","0.7107","MoKα","","0.0392","0.0328","","","0.072","0.0752","","","","","","1.037","","","","has coordinates","223466","2020-10-21","18:00:00",""
"7232904","35.509","0.007","14.305","0.003","17.104","0.003","90","","100.7","0.03","90","","8537","3","104","2","104","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C47 H40 Cu F3 N4 O4 P2 S -","- C47 H40 Cu F3 N4 O4 P2 S -","- C376 H320 Cu8 F24 N32 O32 P16 S8 -","8","1","","Zhu, Ning; Wang, Guo; Lin, Sen; Li, Zhong-Feng; Xin, Xiu-Lan; Yang, Yu-Ping; Liu, Min; Jin, Qiong-Hua","New discovery in crystallography: correlation of terahertz time-domain spectra with crystal structures and photoluminescence properties of mononuclear/binuclear diimine‒Cu(i)-phosphine complexes","CrystEngComm","2019","21","29","4275","","10.1039/C9CE00729F","","","0.71073","MoKα","","0.1491","0.1324","","","0.3116","0.3231","","","","","","1.09","","","","has coordinates","223466","2020-10-21","18:00:00",""
"7232905","10.2578","0.0003","12.8635","0.0004","19.4889","0.0005","73.352","0.002","83.084","0.002","87.362","0.003","2445.68","0.12","109.8","","109.8","","","","","","","","","8","P -1","-P 1","2","","","","- C54 H40 Cu F3 N4 O4 P2 S -","- C54 H40 Cu F3 N4 O4 P2 S -","- C108 H80 Cu2 F6 N8 O8 P4 S2 -","2","1","","Zhu, Ning; Wang, Guo; Lin, Sen; Li, Zhong-Feng; Xin, Xiu-Lan; Yang, Yu-Ping; Liu, Min; Jin, Qiong-Hua","New discovery in crystallography: correlation of terahertz time-domain spectra with crystal structures and photoluminescence properties of mononuclear/binuclear diimine‒Cu(i)-phosphine complexes","CrystEngComm","2019","21","29","4275","","10.1039/C9CE00729F","","","0.7107","MoKα","","0.0735","0.0654","","","0.1453","0.1483","","","","","","1.241","","","","has coordinates,has disorder","223466","2020-10-21","18:00:00",""
"7232906","10.8914","0.0004","12.2427","0.0003","19.074","0.0007","94.343","0.002","92.474","0.003","106.148","0.003","2430.49","0.15","102.3","","102.3","","","","","","","","","8","P -1","-P 1","2","","","","- C56 H42 Cu F3 N4 O5 P2 S -","- C56 H42 Cu F3 N4 O5 P2 S -","- C112 H84 Cu2 F6 N8 O10 P4 S2 -","2","1","","Zhu, Ning; Wang, Guo; Lin, Sen; Li, Zhong-Feng; Xin, Xiu-Lan; Yang, Yu-Ping; Liu, Min; Jin, Qiong-Hua","New discovery in crystallography: correlation of terahertz time-domain spectra with crystal structures and photoluminescence properties of mononuclear/binuclear diimine‒Cu(i)-phosphine complexes","CrystEngComm","2019","21","29","4275","","10.1039/C9CE00729F","","","0.7107","MoKα","","0.0515","0.0434","","","0.1069","0.1119","","","","","","1.033","","","","has coordinates","223466","2020-10-21","18:00:00",""
"7232907","27.738","0.002","16.393","0.0014","27.278","0.003","90","","110.478","0.004","90","","11619.7","1.8","298","2","298","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C58 H42 Cu F3 N4 O4 P2 S -","- C58 H42 Cu F3 N4 O4 P2 S -","- C464 H336 Cu8 F24 N32 O32 P16 S8 -","8","1","","Zhu, Ning; Wang, Guo; Lin, Sen; Li, Zhong-Feng; Xin, Xiu-Lan; Yang, Yu-Ping; Liu, Min; Jin, Qiong-Hua","New discovery in crystallography: correlation of terahertz time-domain spectra with crystal structures and photoluminescence properties of mononuclear/binuclear diimine‒Cu(i)-phosphine complexes","CrystEngComm","2019","21","29","4275","","10.1039/C9CE00729F","","","0.71073","MoKα","","0.1322","0.0811","","","0.228","0.2468","","","","","","1.095","","","","has coordinates,has disorder","223466","2020-10-21","18:00:00",""
"7232908","10.698","0.0007","12.5061","0.0005","19.6636","0.001","83.046","0.004","77.092","0.005","70.657","0.005","2416.4","0.2","104.2","","104.2","","","","","","","","","8","P -1","-P 1","2","","","","- C53 H36 Cu F3 N4 O6 P2 S -","- C53 H40 Cu F3 N4 O6 P2 S -","- C106 H80 Cu2 F6 N8 O12 P4 S2 -","2","1","","Zhu, Ning; Wang, Guo; Lin, Sen; Li, Zhong-Feng; Xin, Xiu-Lan; Yang, Yu-Ping; Liu, Min; Jin, Qiong-Hua","New discovery in crystallography: correlation of terahertz time-domain spectra with crystal structures and photoluminescence properties of mononuclear/binuclear diimine‒Cu(i)-phosphine complexes","CrystEngComm","2019","21","29","4275","","10.1039/C9CE00729F","","","0.71073","MoKα","","0.0705","0.0594","","","0.1588","0.1681","","","","","","1.03","","","","has coordinates","223466","2020-10-21","18:00:00",""
"7232909","20.4193","0.001","9.8047","0.0005","26.0036","0.0012","90","","105.963","0.002","90","","5005.3","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C62 H55 Cl N9 -","- C62 H55 Cl N9 -","- C248 H220 Cl4 N36 -","4","1","","Meng, Fanxuan; Zhang, Xiaoshuai; Sarma, Tridib; Yuan, Ningning; Yin, Ying; Duan, Zhiming; Lei, Chuanhu; Qian, Qun; Ding, Lili; Zhang, Zhan","A poly(pyridine‒pyrrole) foldamer that binds isolated water molecules","CrystEngComm","2019","21","26","3906","","10.1039/C9CE00582J","","","1.54178","CuKα","","0.0499","0.0417","","","0.1003","0.1084","","","","","","1.023","","","","has coordinates","223573","2020-10-21","18:00:00",""
"7232910","15.372","0.003","21.287","0.004","21.861","0.004","96.32","0.03","103.33","0.03","95.65","0.03","6861","3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C146 H166 Cl4 N22 O12 -","- C146 H159.654 Cl4 N22 O12 -","- C292 H319.308 Cl8 N44 O24 -","2","1","","Meng, Fanxuan; Zhang, Xiaoshuai; Sarma, Tridib; Yuan, Ningning; Yin, Ying; Duan, Zhiming; Lei, Chuanhu; Qian, Qun; Ding, Lili; Zhang, Zhan","A poly(pyridine‒pyrrole) foldamer that binds isolated water molecules","CrystEngComm","2019","21","26","3906","","10.1039/C9CE00582J","","","1.54184","CuKα","","0.098","0.0836","","","0.211","0.2249","","","","","","1.008","","","","has coordinates,has disorder","223573","2020-10-21","18:00:00",""
"7232915","18.9128","0.0006","18.9128","0.0006","15.2392","0.0006","90","","90","","90","","5451","0.3","117","2","117","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C14 H40 Mo0.5 N8 Ni O8 -","- C14 H24 Mo0.5 N8 Ni O8 -","- C112 H192 Mo4 N64 Ni8 O64 -","8","0.5","","Heczko, Michał; Sumińska, Ewa; Sieklucka, Barbara; Nowicka, Beata","A two-fold 3D interpenetrating cyanido-bridged network based on the octa-coordinated [Mo(CN)8]4- building block","CrystEngComm","2019","","","","","10.1039/C9CE00851A","","","0.71073","MoKα","","0.0423","0.0346","","","0.0871","0.0908","","","","","","1.054","","","","has coordinates","216088","2020-10-21","18:00:00",""
"7232916","26.2434","0.0011","15.4516","0.0007","10.1165","0.0004","90","","95.018","0.002","90","","4086.5","0.3","100","2","100","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C46 H120 Li2 Mo2 N28 Ni3 O24 -","- C46 H72 Li2 Mo2 N28 Ni3 O24 -","- C92 H144 Li4 Mo4 N56 Ni6 O48 -","2","0.25","","Heczko, Michał; Sumińska, Ewa; Sieklucka, Barbara; Nowicka, Beata","A two-fold 3D interpenetrating cyanido-bridged network based on the octa-coordinated [Mo(CN)8]4- building block","CrystEngComm","2019","","","","","10.1039/C9CE00851A","","","0.71073","MoKα","","0.0855","0.0768","","","0.183","0.1885","","","","","","1.107","","","","has coordinates","216088","2020-10-21","18:00:00",""
"7232917","14.3162","0.0006","14.8325","0.0006","23.1021","0.001","90","","93.539","0.002","90","","4896.3","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H70 Mo N20 Ni3 O5 -","- C35 H60 Mo N20 Ni3 O5 -","- C140 H240 Mo4 N80 Ni12 O20 -","4","1","","Heczko, Michał; Sumińska, Ewa; Sieklucka, Barbara; Nowicka, Beata","A two-fold 3D interpenetrating cyanido-bridged network based on the octa-coordinated [Mo(CN)8]4- building block","CrystEngComm","2019","","","","","10.1039/C9CE00851A","","","0.71073","MoKα","","0.0493","0.0436","","","0.1068","0.111","","","","","","1.013","","","","has coordinates,has disorder","216088","2020-10-21","18:00:00",""
"7232919","7.2364","0.0008","13.684","0.002","15.767","0.002","71.515","0.013","83.596","0.01","81.899","0.011","1462.2","0.3","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H27 Cl N6 O6 S -","- C30 H27 Cl N6 O6 S -","- C60 H54 Cl2 N12 O12 S2 -","2","1","","Li, Duanxiu; Li, Jiong; Deng, Zongwu; Zhang, Hailu","Piroxicam‒clonixin drug‒drug cocrystal solvates with enhanced hydration stability","CrystEngComm","2019","21","28","4145","","10.1039/C9CE00666D","","","0.71073","MoKα","","0.1017","0.055","","","0.1097","0.1293","","","","","","1.025","","","","has coordinates","223473","2020-10-21","18:00:00",""
"7232920","7.3032","0.0005","14.0521","0.0008","15.9432","0.0011","69.237","0.002","81.657","0.002","77.712","0.002","1490.51","0.17","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H30 Cl N5 O7 S -","- C31 H30 Cl N5 O7 S -","- C62 H60 Cl2 N10 O14 S2 -","2","1","","Li, Duanxiu; Li, Jiong; Deng, Zongwu; Zhang, Hailu","Piroxicam‒clonixin drug‒drug cocrystal solvates with enhanced hydration stability","CrystEngComm","2019","21","28","4145","","10.1039/C9CE00666D","","","0.71073","MoKα","","0.0781","0.0506","","","0.1368","0.1504","","","","","","0.996","","","","has coordinates","223473","2020-10-21","18:00:00",""
"7232921","7.1077","0.0007","14.4856","0.0013","16.6126","0.0015","105.468","0.003","98.006","0.003","103.645","0.003","1564.2","0.3","193","2","193","2","","","","","","","","6","P -1","-P 1","2","CNX-PXC-EA","","","- C32 H32 Cl N5 O8 S -","- C32 H32 Cl N5 O8 S -","- C64 H64 Cl2 N10 O16 S2 -","2","1","","Li, Duanxiu; Li, Jiong; Deng, Zongwu; Zhang, Hailu","Piroxicam‒clonixin drug‒drug cocrystal solvates with enhanced hydration stability","CrystEngComm","2019","21","28","4145","","10.1039/C9CE00666D","","","0.71073","MoKα","","0.0789","0.0547","","","0.124","0.1339","","","","","","1.051","","","","has coordinates","223473","2020-10-21","18:00:00",""
"7232922","7.2799","0.0005","13.8946","0.0011","16.4922","0.0013","68.131","0.007","82.312","0.006","81.865","0.006","1526.6","0.2","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H25 Cl4 N5 O6 S -","- C29 H25 Cl4 N5 O6 S -","- C58 H50 Cl8 N10 O12 S2 -","2","1","","Li, Duanxiu; Li, Jiong; Deng, Zongwu; Zhang, Hailu","Piroxicam‒clonixin drug‒drug cocrystal solvates with enhanced hydration stability","CrystEngComm","2019","21","28","4145","","10.1039/C9CE00666D","","","0.71073","MoKα","","0.1175","0.0579","","","0.1186","0.146","","","","","","0.967","","","","has coordinates","223473","2020-10-21","18:00:00",""
"7232923","7.2499","0.0002","13.7111","0.0006","15.8281","0.0007","71.255","0.004","85.172","0.003","83.669","0.003","1478.85","0.11","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H26 Cl3 N5 O6 S -","- C29 H26 Cl3 N5 O6 S -","- C58 H52 Cl6 N10 O12 S2 -","2","1","","Li, Duanxiu; Li, Jiong; Deng, Zongwu; Zhang, Hailu","Piroxicam‒clonixin drug‒drug cocrystal solvates with enhanced hydration stability","CrystEngComm","2019","21","28","4145","","10.1039/C9CE00666D","","","0.71073","MoKα","","0.0625","0.0481","","","0.1344","0.1446","","","","","","1.053","","","","has coordinates","223473","2020-10-21","18:00:00",""
"7232924","6.6108","0.0005","9.5147","0.0007","17.1651","0.001","96.283","0.005","95.365","0.005","103.343","0.006","1036.32","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H18 N2 O7 -","- C25 H18 N2 O7 -","- C50 H36 N4 O14 -","2","1","","Mandal, Arkalekha; Rissanen, Kari; Mal, Prasenjit","Unravelling substitution effects on charge transfer characteristics in cocrystals of pyrene based donors and 3,5-dinitrobenzoic acid","CrystEngComm","2019","21","29","4401","","10.1039/C9CE00561G","","","0.71073","MoKα","","0.0995","0.0569","","","0.1309","0.1535","","","","","","0.978","","","","has coordinates","223469","2020-10-21","18:00:00",""
"7232925","10.1503","0.0003","11.2758","0.0003","35.8393","0.0011","90","","93.409","0.003","90","","4094.6","0.2","296","2","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C49 H37 N7 O13 -","- C49 H37 N7 O13 -","- C196 H148 N28 O52 -","4","0.5","","Mandal, Arkalekha; Rissanen, Kari; Mal, Prasenjit","Unravelling substitution effects on charge transfer characteristics in cocrystals of pyrene based donors and 3,5-dinitrobenzoic acid","CrystEngComm","2019","21","29","4401","","10.1039/C9CE00561G","","","0.71073","MoKα","","0.0888","0.0567","","","0.1308","0.1532","","","","","","1.047","","","","has coordinates","223469","2020-10-21","18:00:00",""
"7232926","8.6941","0.0002","10.2148","0.0003","17.2379","0.0004","99.498","0.002","90.396","0.002","97.114","0.002","1497.68","0.07","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C39 H22 Br2 N2 O6 -","- C39 H22 Br2 N2 O6 -","- C78 H44 Br4 N4 O12 -","2","1","","Mandal, Arkalekha; Rissanen, Kari; Mal, Prasenjit","Unravelling substitution effects on charge transfer characteristics in cocrystals of pyrene based donors and 3,5-dinitrobenzoic acid","CrystEngComm","2019","21","29","4401","","10.1039/C9CE00561G","","","0.71073","MoKα","","0.0726","0.064","","","0.1625","0.1691","","","","","","1.12","","","","has coordinates,has disorder","223469","2020-10-21","18:00:00",""
"7232930","9.6733","0.0005","10.7702","0.0005","12.5821","0.0006","67.115","0.001","68.089","0.001","86.267","0.001","1115.51","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H16 N2 O9 Zn -","- C26 H16 N2 O9 Zn -","- C52 H32 N4 O18 Zn2 -","2","1","","Wang, Li-Na; Zhang, Yan-Hong; Jiang, Shuang; Liu, Zi-Zhong","Three coordination polymers based on 3-(3′,5′-dicarboxylphenoxy)phthalic acid and auxiliary N-donor ligands: syntheses, structures, and highly selective sensing for nitro explosives and Fe3+ ions","CrystEngComm","2019","21","31","4557","","10.1039/C9CE00542K","","","0.71073","MoKα","","0.0282","0.0263","","","0.0697","0.0711","","","","","","1.033","","","","has coordinates","223673","2020-10-21","18:00:00",""
"7232931","26.409","0.004","9.7523","0.0012","20.678","0.003","90","","105.007","0.005","90","","5144","1.3","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H17 Cd N2 O10 -","- C28 H17 Cd N2 O10 -","- C224 H136 Cd8 N16 O80 -","8","1","","Wang, Li-Na; Zhang, Yan-Hong; Jiang, Shuang; Liu, Zi-Zhong","Three coordination polymers based on 3-(3′,5′-dicarboxylphenoxy)phthalic acid and auxiliary N-donor ligands: syntheses, structures, and highly selective sensing for nitro explosives and Fe3+ ions","CrystEngComm","2019","21","31","4557","","10.1039/C9CE00542K","","","0.71073","MoKα","","0.0418","0.0287","","","0.0586","0.0629","","","","","","1.062","","","","has coordinates","223673","2020-10-21","18:00:00",""
"7232932","30.4083","0.0018","11.8333","0.0007","15.7632","0.0009","90","","120.286","0.002","90","","4897.9","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H16 Cd N2 O9 -","- C26 H16 Cd N2 O9 -","- C208 H128 Cd8 N16 O72 -","8","1","","Wang, Li-Na; Zhang, Yan-Hong; Jiang, Shuang; Liu, Zi-Zhong","Three coordination polymers based on 3-(3′,5′-dicarboxylphenoxy)phthalic acid and auxiliary N-donor ligands: syntheses, structures, and highly selective sensing for nitro explosives and Fe3+ ions","CrystEngComm","2019","21","31","4557","","10.1039/C9CE00542K","","","0.71073","MoKα","","0.0303","0.0252","","","0.063","0.066","","","","","","1.092","","","","has coordinates","223673","2020-10-21","18:00:00",""
"7232934","14.47","0.002","14.47","0.002","28.017","0.006","90","","90","","90","","5866.2","1.7","293","2","293","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C33 H16 Mn2 N17 O6 W -","- C33 H16 Mn2 N17 O6 W -","- C132 H64 Mn8 N68 O24 W4 -","4","0.25","","Qian, Jun; Yoshikawa, Hirofumi; Humphrey, Mark G.; Zhang, Jinfang; Awaga, Kunio; Zhang, Chi","In situ formed [M(CN)9] (M = W, Mo) as a building block for the construction of two nona-cyanometalate-bridged heterometallic coordination polymers","CrystEngComm","2019","21","29","4363","","10.1039/C9CE00579J","","","0.71073","MoKα","","0.0551","0.0517","","","0.1438","0.1459","","","","","","1.245","","","","has coordinates","223472","2020-10-21","18:00:00",""
"7232935","14.45","0.002","14.45","0.002","28.044","0.006","90","","90","","90","","5855.7","1.7","293","2","293","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C45 H44 Mn2 Mo N21 O10 -","- C45 H44 Mn2 Mo N21 O10 -","- C180 H176 Mn8 Mo4 N84 O40 -","4","0.25","","Qian, Jun; Yoshikawa, Hirofumi; Humphrey, Mark G.; Zhang, Jinfang; Awaga, Kunio; Zhang, Chi","In situ formed [M(CN)9] (M = W, Mo) as a building block for the construction of two nona-cyanometalate-bridged heterometallic coordination polymers","CrystEngComm","2019","21","29","4363","","10.1039/C9CE00579J","","","0.71073","MoKα","","0.0681","0.0644","","","0.184","0.1879","","","","","","1.098","","","","has coordinates,has disorder","223472","2020-10-21","18:00:00",""
"7232936","8.7972","0.0004","9.6008","0.0005","24.5152","0.0017","90","","99.503","0.005","90","","2042.1","0.2","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","EPTD","","- C48 H48 N2 O4 S2 -","- C48 H48 N2 O4 S2 -","- C96 H96 N4 O8 S4 -","2","0.5","","Zhang, Tong; Zhang, Chunyu; Li, Xiaoting; Liang, Meng; Bian, Weixiao; Zhang, Yan; Wang, Kunpeng; Xue, Pengchong","Fluorescence response of cruciform D‒π‒A‒π‒D phenothiazine derivatives to mechanical force","CrystEngComm","2019","21","28","4192","","10.1039/C9CE00568D","","x-ray","0.71073","MoKα","","0.0664","0.0466","","","0.1024","0.1156","","","","","","1.031","","","","has coordinates,has disorder","223474","2020-10-21","18:00:00",""
"7232937","8.611","0.0007","7.4213","0.0005","27.8297","0.0019","90","","91.341","0.006","90","","1778","0.2","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H40 N2 O4 S2 -","- C44 H40 N2 O4 S2 -","- C88 H80 N4 O8 S4 -","2","0.5","","Zhang, Tong; Zhang, Chunyu; Li, Xiaoting; Liang, Meng; Bian, Weixiao; Zhang, Yan; Wang, Kunpeng; Xue, Pengchong","Fluorescence response of cruciform D‒π‒A‒π‒D phenothiazine derivatives to mechanical force","CrystEngComm","2019","21","28","4192","","10.1039/C9CE00568D","","x-ray","0.71073","MoKα","","0.0567","0.0416","","","0.0831","0.0931","","","","","","1.058","","","","has coordinates","223474","2020-10-21","18:00:00",""
"7232938","11.2305","0.0006","11.8596","0.0006","14.125","0.0007","102.649","0.004","93.485","0.004","99.072","0.005","1803.79","0.17","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","EPTD-Y","","- C44 H40 N2 O4 S2 -","- C44 H40 N2 O4 S2 -","- C88 H80 N4 O8 S4 -","2","1","","Zhang, Tong; Zhang, Chunyu; Li, Xiaoting; Liang, Meng; Bian, Weixiao; Zhang, Yan; Wang, Kunpeng; Xue, Pengchong","Fluorescence response of cruciform D‒π‒A‒π‒D phenothiazine derivatives to mechanical force","CrystEngComm","2019","21","28","4192","","10.1039/C9CE00568D","","x-ray","0.71073","MoKα","","0.0701","0.0502","","","0.0984","0.1093","","","","","","1.039","","","","has coordinates,has disorder","223474","2020-10-21","18:00:00",""
"7232939","10.4791","0.0005","13.3723","0.0007","25.4654","0.0013","90","","91.115","0.002","90","","3567.8","0.3","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N,N-bis(9-phenyl-9-thioxanthenyl)ethylenediamine: toluene (1:1)","","","- C47 H40 N2 S2 -","- C47 H40 N2 S2 -","- C188 H160 N8 S8 -","4","1","","Barton, Benita; de Jager, Lize; Hosten, Eric C.","Comparing the host behaviour of N,N′-bis(9-phenyl-9-thioxanthenyl)ethylenediamine and N,N′-bis(9-phenyl-9-xanthenyl)ethylenediamine in the presence of various alkylated aromatic and aniline guests: crystal engineering considerations","CrystEngComm","2019","21","29","4387","","10.1039/C9CE00823C","","","0.71073","MoKα","","0.0543","0.0379","","","0.0905","0.1003","","","","","","1.031","","","","has coordinates","223464","2020-10-21","18:00:00",""
"7232940","10.3099","0.0003","13.3066","0.0004","25.6537","0.0008","90","","91.686","0.001","90","","3517.9","0.18","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N,N-bis(9-phenyl-9-thioxanthenyl)ethylenediamine: aniline (1:1)","","","- C46 H37 N3 S2 -","- C46 H37 N3 S2 -","- C184 H148 N12 S8 -","4","1","","Barton, Benita; de Jager, Lize; Hosten, Eric C.","Comparing the host behaviour of N,N′-bis(9-phenyl-9-thioxanthenyl)ethylenediamine and N,N′-bis(9-phenyl-9-xanthenyl)ethylenediamine in the presence of various alkylated aromatic and aniline guests: crystal engineering considerations","CrystEngComm","2019","21","29","4387","","10.1039/C9CE00823C","","","0.71073","MoKα","","0.0634","0.0444","","","0.106","0.1166","","","","","","1.024","","","","has coordinates,has disorder","223464","2020-10-21","18:00:00",""
"7232941","8.7675","0.0007","8.7903","0.0007","13.7121","0.0011","72.461","0.004","76.622","0.004","67.418","0.004","922.33","0.13","200","2","200","2","","","","","","","","4","P -1","-P 1","2","N,N-bis(9-phenyl-9-xanthenyl)ethylenediamine: N,N-dimethylaniline (1:1)","","","- C48 H43 N3 O2 -","- C48 H43 N3 O2 -","- C48 H43 N3 O2 -","1","0.5","","Barton, Benita; de Jager, Lize; Hosten, Eric C.","Comparing the host behaviour of N,N′-bis(9-phenyl-9-thioxanthenyl)ethylenediamine and N,N′-bis(9-phenyl-9-xanthenyl)ethylenediamine in the presence of various alkylated aromatic and aniline guests: crystal engineering considerations","CrystEngComm","2019","21","29","4387","","10.1039/C9CE00823C","","","0.71073","MoKα","","0.0852","0.0513","","","0.1106","0.1279","","","","","","1.044","","","","has coordinates,has disorder","223464","2020-10-21","18:00:00",""
"7232942","9.1545","0.0005","14.6714","0.0007","15.1254","0.0008","109.272","0.002","92.888","0.002","97.644","0.002","1890.93","0.17","200","2","200","2","","","","","","","","4","P -1","-P 1","2","N,N-bis(9-phenyl-9-xanthenyl)ethylenediamine: cumene (1:1)","","","- C49 H44 N2 O2 -","- C49 H44 N2 O2 -","- C98 H88 N4 O4 -","2","1","","Barton, Benita; de Jager, Lize; Hosten, Eric C.","Comparing the host behaviour of N,N′-bis(9-phenyl-9-thioxanthenyl)ethylenediamine and N,N′-bis(9-phenyl-9-xanthenyl)ethylenediamine in the presence of various alkylated aromatic and aniline guests: crystal engineering considerations","CrystEngComm","2019","21","29","4387","","10.1039/C9CE00823C","","","0.71073","MoKα","","0.0868","0.0667","","","0.1855","0.2038","","","","","","1.042","","","","has coordinates,has disorder","223464","2020-10-21","18:00:00",""
"7232943","10.5138","0.0007","13.5904","0.0009","13.7298","0.0009","84.174","0.003","86.227","0.003","70.04","0.003","1833.4","0.2","200","2","200","2","","","","","","","","4","P -1","-P 1","2","N,N-bis(9-phenyl-9-thioxanthenyl)ethylenediamine: N-methylaniline (1:1)","","","- C47 H41 N3 S2 -","- C47 H41 N3 S2 -","- C94 H82 N6 S4 -","2","1","","Barton, Benita; de Jager, Lize; Hosten, Eric C.","Comparing the host behaviour of N,N′-bis(9-phenyl-9-thioxanthenyl)ethylenediamine and N,N′-bis(9-phenyl-9-xanthenyl)ethylenediamine in the presence of various alkylated aromatic and aniline guests: crystal engineering considerations","CrystEngComm","2019","21","29","4387","","10.1039/C9CE00823C","","","0.71073","MoKα","","0.0476","0.0364","","","0.0897","0.0972","","","","","","1.021","","","","has coordinates","223464","2020-10-21","18:00:00",""
"7232944","8.9265","0.0004","9.1183","0.0004","12.5759","0.0005","92.594","0.002","107.264","0.002","111.066","0.002","898.81","0.07","200","2","200","2","","","","","","","","4","P -1","-P 1","2","N,N-bis(9-phenyl-9-xanthenyl)ethylenediamine: N-methylaniline: water","","","- C47 H41 N3 O2.41 -","- C47 H41 N3 O2.406 -","- C47 H41 N3 O2.406 -","1","0.5","","Barton, Benita; de Jager, Lize; Hosten, Eric C.","Comparing the host behaviour of N,N′-bis(9-phenyl-9-thioxanthenyl)ethylenediamine and N,N′-bis(9-phenyl-9-xanthenyl)ethylenediamine in the presence of various alkylated aromatic and aniline guests: crystal engineering considerations","CrystEngComm","2019","21","29","4387","","10.1039/C9CE00823C","","","0.71073","MoKα","","0.0455","0.0404","","","0.1084","0.114","","","","","","1.033","","","","has coordinates,has disorder","223464","2020-10-21","18:00:00",""
"7232945","5.1874","0.0004","34.715","0.003","18.1886","0.0015","90","","90.275","0.002","90","","3275.4","0.5","292","2","292","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H38 N8 Ni2 O13 -","- C24 H38 N8 Ni2 O13 -","- C96 H152 N32 Ni8 O52 -","4","1","","Ghosh, Tanmoy Kumar; Mahapatra, Prithwish; Jana, Subrata; Ghosh, Ashutosh","Variation of nuclearity in NiII complexes of a Schiff base ligand: crystal structures and magnetic studies","CrystEngComm","2019","21","31","4620","","10.1039/C9CE00574A","","","0.71073","MoKα","","0.1168","0.0806","","","0.1946","0.211","","","","","","1.142","","","","has coordinates","223675","2020-10-21","18:00:00",""
"7232946","20.212","0.011","22.656","0.011","16.048","0.008","90","","121.342","0.01","90","","6276","6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H64 N8 Ni6 O25 -","- C56 H64 N8 Ni6 O25 -","- C224 H256 N32 Ni24 O100 -","4","0.5","","Ghosh, Tanmoy Kumar; Mahapatra, Prithwish; Jana, Subrata; Ghosh, Ashutosh","Variation of nuclearity in NiII complexes of a Schiff base ligand: crystal structures and magnetic studies","CrystEngComm","2019","21","31","4620","","10.1039/C9CE00574A","","","0.71073","MoKα","","0.1349","0.0617","","","0.1596","0.2121","","","","","","1.008","","","","has coordinates","223675","2020-10-21","18:00:00",""
"7232947","13.838","0.004","29.26","0.009","14.867","0.004","90","","116.548","0.004","90","","5385","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H52 N8 Ni4 O17 -","- C43 H52 N8 Ni4 O17 -","- C172 H208 N32 Ni16 O68 -","4","1","","Ghosh, Tanmoy Kumar; Mahapatra, Prithwish; Jana, Subrata; Ghosh, Ashutosh","Variation of nuclearity in NiII complexes of a Schiff base ligand: crystal structures and magnetic studies","CrystEngComm","2019","21","31","4620","","10.1039/C9CE00574A","","","0.71073","MoKα","","0.1299","0.0924","","","0.2634","0.2922","","","","","","1.087","","","","has coordinates,has disorder","223675","2020-10-21","18:00:00",""
"7232948","22.233","0.004","7.3217","0.0014","23.045","0.004","90","","101.296","0.004","90","","3678.7","1.2","299","2","299","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H44 N8 Ni2 O13 -","- C32 H44 N8 Ni2 O13 -","- C128 H176 N32 Ni8 O52 -","4","1","","Ghosh, Tanmoy Kumar; Mahapatra, Prithwish; Jana, Subrata; Ghosh, Ashutosh","Variation of nuclearity in NiII complexes of a Schiff base ligand: crystal structures and magnetic studies","CrystEngComm","2019","21","31","4620","","10.1039/C9CE00574A","","","0.71073","MoKα","","0.0448","0.038","","","0.0947","0.099","","","","","","1.115","","","","has coordinates","223675","2020-10-21","18:00:00",""
"7232953","8.5321","0.001","9.2554","0.001","9.75","0.0008","104.633","0.008","91.429","0.008","102.163","0.009","725.75","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H15 F4 N O4 -","- C13 H15 F4 N O4 -","- C26 H30 F8 N2 O8 -","2","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O‒H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0888","0.0647","","","0.1651","0.1867","","","","","","1.049","","","","has coordinates","223471","2020-10-21","18:00:00",""
"7232954","9.666","0.0007","10.5577","0.0008","13.3682","0.0011","90","","97.575","0.007","90","","1352.33","0.18","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H7 D2 F4 N O4 -","- C14 H7 D2 F4 N O4 -","- C56 H28 D8 F16 N4 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O‒H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0875","0.0542","","","0.1249","0.1468","","","","","","1.046","","","","has coordinates","223471","2020-10-21","18:00:00",""
"7232955","7.2862","0.0008","9.7081","0.0007","19.2903","0.0016","90","","90","","90","","1364.5","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H7 D2 F4 N O4 -","- C14 H7 D2 F4 N O4 -","- C56 H28 D8 F16 N4 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O‒H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0597","0.044","","","0.0888","0.0975","","","","","","1.049","","","","has coordinates","223471","2020-10-21","18:00:00",""
"7232956","8.534","0.002","9.25","0.002","9.752","0.002","104.72","0.02","90.99","0.02","102.03","0.02","726.2","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H13 D2 F4 N O4 -","- C13 H13 D2 F4 N O4 -","- C26 H26 D4 F8 N2 O8 -","2","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O‒H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.1399","0.0886","","","0.2482","0.3181","","","","","","1.025","","","","has coordinates","223471","2020-10-21","18:00:00",""
"7232957","8.4644","0.0005","9.7485","0.0015","12.6644","0.0013","69.875","0.013","74.399","0.007","79.718","0.009","940.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H23 F4 N O4 -","- C17 H23 F4 N O4 -","- C34 H46 F8 N2 O8 -","2","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O‒H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0994","0.0571","","","0.1247","0.1586","","","","","","1.038","","","","has coordinates","223471","2020-10-21","18:00:00",""
"7232958","9.6384","0.0015","7.9971","0.0014","15.099","0.003","90","","99.642","0.017","90","","1147.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H9 F4 N O4 -","- C10 H9 F4 N O4 -","- C40 H36 F16 N4 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O‒H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0825","0.0548","","","0.1335","0.1602","","","","","","1.054","","","","has coordinates","223471","2020-10-21","18:00:00",""
"7232959","7.2513","0.0006","9.6741","0.0008","18.5924","0.0014","90","","90","","90","","1304.25","0.18","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H5 D2 F4 N O4 -","- C13 H5 D2 F4 N O4 -","- C52 H20 D8 F16 N4 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O‒H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0723","0.0439","","","0.0928","0.1035","","","","","","0.953","","","","has coordinates","223471","2020-10-21","18:00:00",""
"7232960","9.6564","0.0006","10.5717","0.0008","13.3865","0.0009","90","","97.686","0.006","90","","1354.28","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 F4 N O4 -","- C14 H9 F4 N O4 -","- C56 H36 F16 N4 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O‒H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0773","0.0524","","","0.122","0.1404","","","","","","1.043","","","","has coordinates","223471","2020-10-21","18:00:00",""
"7232961","9.6821","0.0009","8.0228","0.0009","15.0539","0.0014","90","","99.715","0.009","90","","1152.6","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6 D3 F4 N O4 -","- C10 H6 D3 F4 N O4 -","- C40 H24 D12 F16 N4 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O‒H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0717","0.0534","","","0.1357","0.1509","","","","","","1.03","","","","has coordinates","223471","2020-10-21","18:00:00",""
"7232962","7.2625","0.0008","9.694","0.001","18.657","0.002","90","","90","","90","","1313.5","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H7 F4 N O4 -","- C13 H7 F4 N O4 -","- C52 H28 F16 N4 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O‒H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0793","0.0538","","","0.118","0.1429","","","","","","1.058","","","","has coordinates","223471","2020-10-21","18:00:00",""
"7232963","9.7554","0.0005","14.2346","0.0008","9.717","0.0005","90","","99.127","0.004","90","","1332.26","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 F4 N O4 -","- C14 H9 F4 N O4 -","- C56 H36 F16 N4 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O‒H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.073","0.0493","","","0.1135","0.1313","","","","","","0.994","","","","has coordinates","223471","2020-10-21","18:00:00",""
"7232964","8.4573","0.0012","9.7338","0.0014","12.66","0.002","69.848","0.014","74.392","0.013","79.621","0.012","937.9","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H21 D2 F4 N O4 -","- C17 H21 D2 F4 N O4 -","- C34 H42 D4 F8 N2 O8 -","2","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O‒H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.087","0.0532","","","0.1177","0.1387","","","","","","1.022","","","","has coordinates","223471","2020-10-21","18:00:00",""
"7232965","9.5943","0.0008","20.769","0.002","6.8719","0.0006","90","","94.423","0.008","90","","1365.2","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 F4 N O4 -","- C12 H13 F4 N O4 -","- C48 H52 F16 N4 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O‒H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0958","0.0632","","","0.1394","0.1575","","","","","","1.052","","","","has coordinates","223471","2020-10-21","18:00:00",""
"7232966","7.2846","0.0005","9.708","0.0006","19.345","0.001","90","","90","","90","","1368.06","0.14","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H9 F4 N O4 -","- C14 H9 F4 N O4 -","- C56 H36 F16 N4 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O‒H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0622","0.0428","","","0.087","0.0981","","","","","","1.037","","","","has coordinates","223471","2020-10-21","18:00:00",""
"7232967","9.6878","0.0005","7.2046","0.0005","17.3573","0.0009","90","","90","","90","","1211.48","0.12","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C11 H6 F4 N2 O4 -","- C11 H6 F4 N2 O4 -","- C44 H24 F16 N8 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O‒H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0564","0.0429","","","0.0901","0.0999","","","","","","1.059","","","","has coordinates","223471","2020-10-21","18:00:00",""
"7232968","9.6026","0.0009","17.6586","0.0015","9.0164","0.001","90","","110.17","0.011","90","","1435.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 F4 N O5 -","- C12 H13 F4 N O5 -","- C48 H52 F16 N4 O20 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O‒H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0885","0.0532","","","0.1124","0.1312","","","","","","1.036","","","","has coordinates","223471","2020-10-21","18:00:00",""
"7232969","9.5797","0.0008","23.308","0.002","6.8151","0.0006","90","","94.216","0.008","90","","1517.6","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 D4 F4 N O4 -","- C13 H11 D4 F4 N O4 -","- C52 H44 D16 F16 N4 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O‒H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0945","0.0614","","","0.1337","0.1522","","","","","","1.035","","","","has coordinates,has disorder","223471","2020-10-21","18:00:00",""
"7232970","9.5893","0.0009","23.36","0.003","6.8268","0.0007","90","","94.249","0.008","90","","1525","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 F4 N O4 -","- C13 H15 F4 N O4 -","- C52 H60 F16 N4 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O‒H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.1014","0.0606","","","0.1311","0.1559","","","","","","1.03","","","","has coordinates,has disorder","223471","2020-10-21","18:00:00",""
"7232971","9.6156","0.0018","17.699","0.003","9.019","0.002","90","","110.26","0.02","90","","1439.9","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 D4 F4 N O5 -","- C12 H9 D4 F4 N O5 -","- C48 H36 D16 F16 N4 O20 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O‒H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.105","0.0544","","","0.1036","0.1299","","","","","","1.022","","","","has coordinates","223471","2020-10-21","18:00:00",""
"7232972","7.1303","0.0006","17.4758","0.0013","9.7449","0.0007","90","","102.38","0.008","90","","1186.05","0.16","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H3 D3 F4 N2 O4 -","- C11 H3 D3 F4 N2 O4 -","- C44 H12 D12 F16 N8 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O‒H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0776","0.0545","","","0.1188","0.1366","","","","","","1.062","","","","has coordinates","223471","2020-10-21","18:00:00",""
"7232973","9.7549","0.0006","14.2234","0.0008","9.7356","0.0005","90","","99.178","0.005","90","","1333.5","0.13","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H7 D2 F4 N O4 -","- C14 H7 D2 F4 N O4 -","- C56 H28 D8 F16 N4 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O‒H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0634","0.0456","","","0.1073","0.1169","","","","","","1.041","","","","has coordinates","223471","2020-10-21","18:00:00",""
"7232974","9.727","0.0005","7.2158","0.0005","17.3952","0.0011","90","","90","","90","","1220.94","0.13","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C11 H3 D3 F4 N2 O4 -","- C11 H3 D3 F4 N2 O4 -","- C44 H12 D12 F16 N8 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O‒H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0482","0.0379","","","0.0808","0.0883","","","","","","1.07","","","","has coordinates","223471","2020-10-21","18:00:00",""
"7232975","9.5827","0.0015","20.741","0.003","6.8689","0.001","90","","94.476","0.013","90","","1361.1","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 D4 F4 N O4 -","- C12 H9 D4 F4 N O4 -","- C48 H36 D16 F16 N4 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O‒H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.1276","0.0747","","","0.1737","0.2123","","","","","","1.06","","","","has coordinates","223471","2020-10-21","18:00:00",""
"7232976","7.1345","0.0005","17.4678","0.0013","9.7338","0.0007","90","","102.264","0.007","90","","1185.38","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H6 F4 N2 O4 -","- C11 H6 F4 N2 O4 -","- C44 H24 F16 N8 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O‒H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0788","0.0523","","","0.1183","0.1392","","","","","","1.054","","","","has coordinates","223471","2020-10-21","18:00:00",""
"7232977","10.66526","0.00025","20.39976","0.00048","6.61154","0.00017","90","","90","","90","","1438.46","0.06","298","","298","","","","","","","","","5","P n m a","-P 2ac 2n","62","Alpha-dichlorido-di(3-cyanopyridine)zinc","Alpha-dichlorido-di(3-cyanopyridine)zinc","","- C12 H8 Cl2 N4 Zn -","- C12 H8 Cl2 N4 Zn -","- C48 H32 Cl8 N16 Zn4 -","4","0.5","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","Coordination compounds built up from MIICl2 and 3-cyanopyridine: double chains, single chains and isolated complexes","CrystEngComm","2019","21","29","4305","","10.1039/C9CE00412B","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","2.168","1.601","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7232978","3.64403","0.00018","13.81346","0.00076","13.1192","0.0011","90","","98.5316","0.0067","90","","653.07","0.07","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Catena-bis-chloro-di(3-cyanopyridine)ferrat(II)","catena-bis-chloro-di(3-cyanopyridine)ferrat(II)","","- C12 H8 Cl2 Fe N4 -","- C12 H8 Cl2 Fe N4 -","- C24 H16 Cl4 Fe2 N8 -","2","0.5","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","Coordination compounds built up from MIICl2 and 3-cyanopyridine: double chains, single chains and isolated complexes","CrystEngComm","2019","21","29","4305","","10.1039/C9CE00412B","powder diffraction","","0.7093","MoKα~1~","","","","","","","","","1.6997","1.525","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7232979","3.702978","0.000044","15.43091","0.00037","11.57802","0.00031","90","","91.4375","0.0016","90","","661.36","0.03","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Catena-bis-chloro-di(3-cyanopyridine)manganat(II)","catena-bis-chloro-di(3-cyanopyridine)manganat(II)","","- C12 H8 Cl2 Mn N4 -","- C12 H8 Cl2 Mn N4 -","- C24 H16 Cl4 Mn2 N8 -","2","0.5","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","Coordination compounds built up from MIICl2 and 3-cyanopyridine: double chains, single chains and isolated complexes","CrystEngComm","2019","21","29","4305","","10.1039/C9CE00412B","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.01167","1.156","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7232980","16.08629","0.00049","3.58737","0.000097","14.19096","0.00054","90","","90","","90","","818.92","0.05","298","","298","","","","","","","","","5","P n m a","-P 2ac 2n","62","Catena-bis-chloro-(3-cyanopyridine)cobaltat(II)","catena-bis-chloro-(3-cyanopyridine)cobaltat(II)","","- C6 H4 Cl2 Co N2 -","- C6 H4 Cl2 Co N2 -","- C24 H16 Cl8 Co4 N8 -","4","0.5","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","Coordination compounds built up from MIICl2 and 3-cyanopyridine: double chains, single chains and isolated complexes","CrystEngComm","2019","21","29","4305","","10.1039/C9CE00412B","powder diffraction","","0.7093","MoKα~1~","","","","","","","","","1.6026","1.21","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7232981","3.61682","0.00017","27.5043","0.0016","13.2081","0.0012","90","","97.492","0.015","90","","1302.7","0.16","298","","298","","","","","","","","","5","C 1 c 1","C -2yc","9","Catena-bis-chloro-di(3-cyanopyridine)cobaltat(II)","catena-bis-chloro-di(3-cyanopyridine)cobaltat(II)","","- C12 H8 Cl2 Co N4 -","- C12 H8 Cl2 Co N4 -","- C48 H32 Cl8 Co4 N16 -","4","1","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","Coordination compounds built up from MIICl2 and 3-cyanopyridine: double chains, single chains and isolated complexes","CrystEngComm","2019","21","29","4305","","10.1039/C9CE00412B","powder diffraction","","0.7093","MoKα~1~","","","","","","","","","1.2752","1.288","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7232982","3.75604","0.0001","13.46533","0.00029","13.04425","0.00051","90","","97.3466","0.0032","90","","654.31","0.03","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","catena-dichloro-di(3-cyanopyridine)cuprat(II)","catena-dichloro-di(3-cyanopyridine)cuprat(II)","","- C12 H8 Cl2 Cu N4 -","- C12 H8 Cl2 Cu N4 -","- C24 H16 Cl4 Cu2 N8 -","2","0.5","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","Coordination compounds built up from MIICl2 and 3-cyanopyridine: double chains, single chains and isolated complexes","CrystEngComm","2019","21","29","4305","","10.1039/C9CE00412B","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.9634","1.208","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7232983","3.775299","0.000081","13.9311","0.00036","15.68492","0.0003","90","","96.1139","0.0029","90","","820.24","0.03","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","catena-dichloro-(3-cyanopyridine)cuprat(II)","catena-dichloro-(3-cyanopyridine)cuprat(II)","","- C6 H4 Cl2 Cu N2 -","- C6 H4 Cl2 Cu N2 -","- C24 H16 Cl8 Cu4 N8 -","4","1","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","Coordination compounds built up from MIICl2 and 3-cyanopyridine: double chains, single chains and isolated complexes","CrystEngComm","2019","21","29","4305","","10.1039/C9CE00412B","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","1.0574","1.466","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7232984","16.53381","0.00094","3.69328","0.00012","14.45964","0.00092","90","","90","","90","","882.96","0.08","298","","298","","","","","","","","","5","P n m a","-P 2ac 2n","62","Catena-bis-chloro-(3-cyanopyridine)manganat(II)","catena-bis-chloro-(3-cyanopyridine)manganat(II)","","- C6 H4 Cl2 Mn N2 -","- C6 H4 Cl2 Mn N2 -","- C24 H16 Cl8 Mn4 N8 -","4","0.5","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","Coordination compounds built up from MIICl2 and 3-cyanopyridine: double chains, single chains and isolated complexes","CrystEngComm","2019","21","29","4305","","10.1039/C9CE00412B","powder diffraction","","0.7093","MoKα~1~","","","","","","","","","1.3538","1.266","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7232985","3.5837","0.000033","27.28886","0.00029","13.18148","0.00026","90","","97.7149","0.0035","90","","1277.42","0.03","298","","298","","","","","","","","","5","C 1 c 1","C -2yc","9","Catena-bis-chloro-di(3-cyanopyridine)nickelat(II)","catena-bis-chloro-di(3-cyanopyridine)nickelat(II)","","- C12 H8 Cl2 N4 Ni -","- C12 H8 Cl2 N4 Ni -","- C48 H32 Cl8 N16 Ni4 -","4","1","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","Coordination compounds built up from MIICl2 and 3-cyanopyridine: double chains, single chains and isolated complexes","CrystEngComm","2019","21","29","4305","","10.1039/C9CE00412B","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","1.9061","1.288","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7232986","11.66192","0.00015","15.07309","0.00018","8.057182","0.000098","90","","91.0111","0.00086","90","","1416.08","0.03","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Beta-dichlorido-di(3-cyanopyridine)zinc","Beta-dichlorido-di(3-cyanopyridine)zinc","","- C12 H8 Cl2 N4 Zn -","- C12 H8 Cl2 N4 Zn -","- C48 H32 Cl8 N16 Zn4 -","4","1","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","Coordination compounds built up from MIICl2 and 3-cyanopyridine: double chains, single chains and isolated complexes","CrystEngComm","2019","21","29","4305","","10.1039/C9CE00412B","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.00868","1.323","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7232987","15.90267","0.00041","3.53278","0.000061","14.08069","0.00037","90","","90","","90","","791.06","0.03","298","","298","","","","","","","","","5","P n m a","-P 2ac 2n","62","Catena-bis-chloro-(3-cyanopyridine)nickelat(II)","catena-bis-chloro-(3-cyanopyridine)nickelat(II)","","- C6 H4 Cl2 N2 Ni -","- C6 H4 Cl2 N2 Ni -","- C24 H16 Cl8 N8 Ni4 -","4","0.5","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","Coordination compounds built up from MIICl2 and 3-cyanopyridine: double chains, single chains and isolated complexes","CrystEngComm","2019","21","29","4305","","10.1039/C9CE00412B","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","1.8494","1.772","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7232990","13.5686","0.0004","13.2178","0.0005","13.779","0.0005","90","","105.947","0.004","90","","2376.12","0.15","120","2","120","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","BhHASOD","","- C29 H25 B F2 N4 -","- C29 H25 B F2 N4 -","- C116 H100 B4 F8 N16 -","4","0.5","","Hassanain, Hawazen; Davies, Edward Stephen; Lewis, William; Kays, Deborah Lorraine; Champness, Neil R.","Structural Characterization and Optical Properties of Two Copper(I)-Iodide BODIPY Coordination Polymers","CrystEngComm","2019","","","","","10.1039/C9CE00845D","","x-ray","1.54184","CuKα","","0.0492","0.0405","","","0.104","0.1102","","","","","","1.04","","","","has coordinates","216666","2020-10-21","18:00:00",""
"7232991","14.6653","0.0004","9.0291","0.0003","12.2807","0.0003","90","","93.859","0.002","90","","1622.46","0.08","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 B Cu2 F2 I2 N6 -","- C27 H23 B Cu2 F2 I2 N6 -","- C54 H46 B2 Cu4 F4 I4 N12 -","2","0.5","","Hassanain, Hawazen; Davies, Edward Stephen; Lewis, William; Kays, Deborah Lorraine; Champness, Neil R.","Structural Characterization and Optical Properties of Two Copper(I)-Iodide BODIPY Coordination Polymers","CrystEngComm","2019","","","","","10.1039/C9CE00845D","","x-ray","1.54184","CuKα","","0.0731","0.0612","","","0.1812","0.2068","","","","","","1.147","","","","has coordinates,has disorder","216666","2020-10-21","18:00:00",""
"7232992","11.2952","0.0003","17.0907","0.0006","12.0417","0.0003","90","","94.541","0.003","90","","2317.27","0.12","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","BHASOA","","- C27 H23 B F2 N6 -","- C27 H23 B F2 N6 -","- C108 H92 B4 F8 N24 -","4","1","","Hassanain, Hawazen; Davies, Edward Stephen; Lewis, William; Kays, Deborah Lorraine; Champness, Neil R.","Structural Characterization and Optical Properties of Two Copper(I)-Iodide BODIPY Coordination Polymers","CrystEngComm","2019","","","","","10.1039/C9CE00845D","","","1.54184","CuKα","","0.059","0.0414","","","0.0925","0.1011","","","","","","1.039","","","","has coordinates","216666","2020-10-21","18:00:00",""
"7232993","6.2631","0.0005","11.5815","0.0007","16.431","0.0008","90.269","0.004","91.458","0.005","105.041","0.006","1150.56","0.13","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","BHASOB","","- C29 H25 B F2 N4 -","- C29 H25 B F2 N4 -","- C58 H50 B2 F4 N8 -","2","1","","Hassanain, Hawazen; Davies, Edward Stephen; Lewis, William; Kays, Deborah Lorraine; Champness, Neil R.","Structural Characterization and Optical Properties of Two Copper(I)-Iodide BODIPY Coordination Polymers","CrystEngComm","2019","","","","","10.1039/C9CE00845D","","","1.54184","CuKα","","0.0587","0.0448","","","0.1151","0.1271","","","","","","1.03","","","","has coordinates","216666","2020-10-21","18:00:00",""
"7232994","9.8116","0.0011","10.9371","0.001","13.6945","0.0012","89.204","0.007","87.705","0.008","78.296","0.008","1437.8","0.2","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H25 B Cu2 F2 I2 N4 -","- C29 H25 B Cu2 F2 I2 N4 -","- C58 H50 B2 Cu4 F4 I4 N8 -","2","1","","Hassanain, Hawazen; Davies, Edward Stephen; Lewis, William; Kays, Deborah Lorraine; Champness, Neil R.","Structural Characterization and Optical Properties of Two Copper(I)-Iodide BODIPY Coordination Polymers","CrystEngComm","2019","","","","","10.1039/C9CE00845D","","","1.54184","CuKα","","0.1151","0.0758","","","0.1768","0.1993","","","","","","1.049","","","","has coordinates","216666","2020-10-21","18:00:00",""
"7232997","7.5895","0.0008","9.8629","0.001","14.7226","0.0017","90","","95.149","0.004","90","","1097.6","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 N8 O4 -","- C9 H6 N8 O4 -","- C36 H24 N32 O16 -","4","1","","Tang, Jie; Cheng, Guangbin; Zhao, Ying; Yang, Pengju; Ju, Xuehai; Yang, Hongwei","Optimizing the molecular structure and packing style of a crystal by intramolecular cyclization from picrylhydrazone to indazole","CrystEngComm","2019","21","32","4701","","10.1039/C9CE00782B","","","0.71073","MoKα","","0.1335","0.0599","","","0.0994","0.1241","","","","","","1.057","","","","has coordinates","223512","2020-10-21","18:00:00",""
"7232998","7.0409","0.0014","10.232","0.002","19.848","0.004","87.614","0.005","85.009","0.005","82.298","0.005","1411","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H23 Cl N16 O15 -","- C16 H23 Cl N16 O15 -","- C32 H46 Cl2 N32 O30 -","2","1","","Tang, Jie; Cheng, Guangbin; Zhao, Ying; Yang, Pengju; Ju, Xuehai; Yang, Hongwei","Optimizing the molecular structure and packing style of a crystal by intramolecular cyclization from picrylhydrazone to indazole","CrystEngComm","2019","21","32","4701","","10.1039/C9CE00782B","","","0.71073","MoKα","","0.1482","0.0823","","","0.2","0.2536","","","","","","0.979","","","","has coordinates","223512","2020-10-21","18:00:00",""
"7232999","7.773","0.006","9.309","0.008","10.386","0.008","77.691","0.017","78.764","0.017","87.961","0.018","720.2","1","153","","153","","","","","","","","","5","P -1","-P 1","2","","","","- C9 H8 Cl N9 O6 -","- C9 H8 Cl N9 O6 -","- C18 H16 Cl2 N18 O12 -","2","1","","Tang, Jie; Cheng, Guangbin; Zhao, Ying; Yang, Pengju; Ju, Xuehai; Yang, Hongwei","Optimizing the molecular structure and packing style of a crystal by intramolecular cyclization from picrylhydrazone to indazole","CrystEngComm","2019","21","32","4701","","10.1039/C9CE00782B","","","0.71073","MoKα","","0.0799","0.0601","","","0.1697","0.1929","","","","","","1.025","","","","has coordinates","223512","2020-10-21","18:00:00",""
"7233000","10.704","0.004","10.704","","23.932","0.009","90","","90","","90","","2742","1.5","153","","153","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C16 H15 N18 O15 -","- C16 H15 N18 O15 -","- C64 H60 N72 O60 -","4","0.5","","Tang, Jie; Cheng, Guangbin; Zhao, Ying; Yang, Pengju; Ju, Xuehai; Yang, Hongwei","Optimizing the molecular structure and packing style of a crystal by intramolecular cyclization from picrylhydrazone to indazole","CrystEngComm","2019","21","32","4701","","10.1039/C9CE00782B","","","0.71073","MoKα","","0.1337","0.0617","","","0.12","0.1592","","","","","","1.009","","","","has coordinates","223512","2020-10-21","18:00:00",""
"7233007","9.449","0.004","15.591","0.007","17.606","0.007","99.55","0.02","97.95","0.016","107.597","0.011","2388.6","1.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","1","1","","- C24 H18 Cl2 Hg N2 O4 -","- C24 H18 Cl2 Hg N2 O4 -","- C96 H72 Cl8 Hg4 N8 O16 -","4","2","","Samie, Ali; Salimi, Alireza","Conformational variation of ligands in mercury halide complexes; high and low Z′ structures","CrystEngComm","2019","21","33","4951","","10.1039/C9CE00185A","","","0.71073","MoKα","","0.1122","0.0769","","","0.1548","0.176","","","","","","1.067","","","","has coordinates","223527","2020-10-21","18:00:00",""
"7233008","33.59","0.04","5.376","0.006","13.679","0.017","90","","112.928","0.013","90","","2275","5","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","4","4","","- C22 H16 Cl2 Hg N4 O4 -","- C22 H16 Cl2 Hg N4 O4 -","- C88 H64 Cl8 Hg4 N16 O16 -","4","0.5","","Samie, Ali; Salimi, Alireza","Conformational variation of ligands in mercury halide complexes; high and low Z′ structures","CrystEngComm","2019","21","33","4951","","10.1039/C9CE00185A","","","0.71073","MoKα","","0.0513","0.0446","","","0.1091","0.1148","","","","","","1.149","","","","has coordinates","223527","2020-10-21","18:00:00",""
"7233009","9.436","0.005","15.89","0.01","17.648","0.01","99.93","0.03","97.67","0.02","107.083","0.017","2443","2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","2","2","","- C24 H18 Br2 Hg N2 O4 -","- C24 H18 Br2 Hg N2 O4 -","- C96 H72 Br8 Hg4 N8 O16 -","4","2","","Samie, Ali; Salimi, Alireza","Conformational variation of ligands in mercury halide complexes; high and low Z′ structures","CrystEngComm","2019","21","33","4951","","10.1039/C9CE00185A","","","0.71073","MoKα","","0.1089","0.0785","","","0.1651","0.1828","","","","","","1.085","","","","has coordinates","223527","2020-10-21","18:00:00",""
"7233010","18.977","0.013","4.969","0.003","26.436","0.017","90","","97.967","0.008","90","","2469","3","143","2","143","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","5","5","","- C22 H16 Br2 Hg N4 O4 -","- C22 H16 Br2 Hg N4 O4 -","- C88 H64 Br8 Hg4 N16 O16 -","4","0.5","","Samie, Ali; Salimi, Alireza","Conformational variation of ligands in mercury halide complexes; high and low Z′ structures","CrystEngComm","2019","21","33","4951","","10.1039/C9CE00185A","","","0.71073","MoKα","","0.0638","0.054","","","0.1149","0.121","","","","","","1.095","","","","has coordinates,has disorder","223527","2020-10-21","18:00:00",""
"7233011","22.181","0.007","10.916","0.003","27.34","0.007","90","","127.333","0.018","90","","5264","3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","3","3","","- C24 H18 Hg I2 N2 O4 -","- C24 H18 Hg I2 N2 O4 -","- C192 H144 Hg8 I16 N16 O32 -","8","2","","Samie, Ali; Salimi, Alireza","Conformational variation of ligands in mercury halide complexes; high and low Z′ structures","CrystEngComm","2019","21","33","4951","","10.1039/C9CE00185A","","","0.71073","MoKα","","0.0605","0.0493","","","0.1179","0.1247","","","","","","1.109","","","","has coordinates","223527","2020-10-21","18:00:00",""
"7233012","4.8756","0.001","9.889","0.002","14.245","0.003","85.77","0.03","88.56","0.03","80.94","0.03","676.3","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1-Phenyl-3,7-bis(trifluoromethyl)-1,4-dihydro-1,2,4-benzotriazin-4-yl","","- C15 H8 F6 N3 -","- C15 H8 F6 N3 -","- C30 H16 F12 N6 -","2","1","","Constantinides, Christos P.; Lawson, Daniel B.; Berezin, Andrey A.; Zissimou, Georgia A.; Manoli, Maria; Leitus, Gregory M.; Koutentis, Panayiotis A.","Ferromagnetic interactions in a 1D Heisenberg linear chain of 1-phenyl-3,7-bis(trifluoromethyl)-1,4-dihydro-1,2,4-benzotriazin-4-yls","CrystEngComm","2019","21","31","4599","","10.1039/C9CE00739C","","","1.54184","CuKα","","0.1545","0.1359","","","0.401","0.4092","","","","","","1.098","","","","has coordinates,has disorder","223676","2020-10-21","18:00:00",""
"7233013","7.457","0.005","7.942","0.007","11.259","0.007","71.93","0.06","74.01","0.04","89.57","0.07","607.2","0.8","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H20 N2 S6 -","- C26 H20 N2 S6 -","- C26 H20 N2 S6 -","1","0.5","","Fan, Shuxiang; Kiyota, Yasuhiro; Iijima, Kodai; Ryo, Suho; Kawamoto, Tadashi; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko","Charge-transfer complexes of sulfur-rich acceptors derived from birhodanines","CrystEngComm","2019","21","35","5227","","10.1039/C9CE00952C","","","0.71069","MoKα","","0.0726","0.0454","","","0.118","0.1323","","","","","","1.02","","","","has coordinates","223708","2020-10-21","18:00:00",""
"7233014","7.699","0.0017","8.464","0.008","10.046","0.004","85.13","0.05","83.78","0.03","89.63","0.04","648.4","0.7","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H22 N2 O2 S4 -","- C30 H22 N2 O2 S4 -","- C30 H22 N2 O2 S4 -","1","0.5","","Fan, Shuxiang; Kiyota, Yasuhiro; Iijima, Kodai; Ryo, Suho; Kawamoto, Tadashi; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko","Charge-transfer complexes of sulfur-rich acceptors derived from birhodanines","CrystEngComm","2019","21","35","5227","","10.1039/C9CE00952C","","","0.71069","MoKα","","","0.0745","","","","0.2404","","","","","","1.004","","","","has coordinates","223708","2020-10-21","18:00:00",""
"7233015","7.659","0.008","8.117","0.006","23.27","0.03","90","","96.74","0.08","90","","1437","3","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 N2 S6 -","- C32 H26 N2 S6 -","- C64 H52 N4 S12 -","2","0.5","","Fan, Shuxiang; Kiyota, Yasuhiro; Iijima, Kodai; Ryo, Suho; Kawamoto, Tadashi; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko","Charge-transfer complexes of sulfur-rich acceptors derived from birhodanines","CrystEngComm","2019","21","35","5227","","10.1039/C9CE00952C","","","0.71069","MoKα","","","0.0556","","","","0.1656","","","","","","0.927","","","","has coordinates","223708","2020-10-21","18:00:00",""
"7233016","8.64","0.008","9.63","0.005","9.702","0.005","107.84","0.04","108.51","0.05","101.57","0.06","687.9","0.9","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H22 N2 O2 S4 -","- C34 H22 N2 O2 S4 -","- C34 H22 N2 O2 S4 -","1","0.5","","Fan, Shuxiang; Kiyota, Yasuhiro; Iijima, Kodai; Ryo, Suho; Kawamoto, Tadashi; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko","Charge-transfer complexes of sulfur-rich acceptors derived from birhodanines","CrystEngComm","2019","21","35","5227","","10.1039/C9CE00952C","","","0.71069","MoKα","","","0.0755","","","","0.2391","","","","","","1.085","","","","has coordinates","223708","2020-10-21","18:00:00",""
"7233017","7.564","0.003","7.574","0.006","22.841","0.011","90","","96.9","0.03","90","","1299.1","1.3","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 N2 S6 -","- C28 H24 N2 S6 -","- C56 H48 N4 S12 -","2","0.5","","Fan, Shuxiang; Kiyota, Yasuhiro; Iijima, Kodai; Ryo, Suho; Kawamoto, Tadashi; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko","Charge-transfer complexes of sulfur-rich acceptors derived from birhodanines","CrystEngComm","2019","21","35","5227","","10.1039/C9CE00952C","","","0.71069","MoKα","","0.0584","0.0401","","","0.104","0.1144","","","","","","1.05","","","","has coordinates","223708","2020-10-21","18:00:00",""
"7233018","7.506","0.004","7.856","0.007","10.872","0.004","69.79","0.05","76.82","0.04","89.71","0.06","583.9","0.7","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 N2 O2 S4 -","- C26 H20 N2 O2 S4 -","- C26 H20 N2 O2 S4 -","1","0.5","","Fan, Shuxiang; Kiyota, Yasuhiro; Iijima, Kodai; Ryo, Suho; Kawamoto, Tadashi; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko","Charge-transfer complexes of sulfur-rich acceptors derived from birhodanines","CrystEngComm","2019","21","35","5227","","10.1039/C9CE00952C","","","0.71069","MoKα","","","0.055","","","","0.1732","","","","","","1.017","","","","has coordinates","223708","2020-10-21","18:00:00",""
"7233019","7.541","0.006","8.263","0.006","11.632","0.007","70.08","0.05","75.07","0.06","89.43","0.06","656","0.9","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H22 N2 S6 -","- C30 H22 N2 S6 -","- C30 H22 N2 S6 -","1","0.5","","Fan, Shuxiang; Kiyota, Yasuhiro; Iijima, Kodai; Ryo, Suho; Kawamoto, Tadashi; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko","Charge-transfer complexes of sulfur-rich acceptors derived from birhodanines","CrystEngComm","2019","21","35","5227","","10.1039/C9CE00952C","","","0.71069","MoKα","","0.1258","0.053","","","0.1264","0.1543","","","","","","0.999","","","","has coordinates","223708","2020-10-21","18:00:00",""
"7233020","7.317","0.004","7.754","0.014","11.041","0.005","104.81","0.07","101.31","0.04","91.4","0.09","592","1.2","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 N2 O2 S4 -","- C26 H20 N2 O2 S4 -","- C26 H20 N2 O2 S4 -","1","0.5","","Fan, Shuxiang; Kiyota, Yasuhiro; Iijima, Kodai; Ryo, Suho; Kawamoto, Tadashi; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko","Charge-transfer complexes of sulfur-rich acceptors derived from birhodanines","CrystEngComm","2019","21","35","5227","","10.1039/C9CE00952C","","","0.71069","MoKα","","","0.0896","","","","0.2946","","","","","","1.009","","","","has coordinates","223708","2020-10-21","18:00:00",""
"7233021","7.365","0.003","8.101","0.008","12.063","0.004","88.18","0.06","82.11","0.03","83.41","0.06","708.1","0.8","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H26 N2 O2 S4 -","- C32 H26 N2 O2 S4 -","- C32 H26 N2 O2 S4 -","1","0.5","","Fan, Shuxiang; Kiyota, Yasuhiro; Iijima, Kodai; Ryo, Suho; Kawamoto, Tadashi; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko","Charge-transfer complexes of sulfur-rich acceptors derived from birhodanines","CrystEngComm","2019","21","35","5227","","10.1039/C9CE00952C","","","0.71069","MoKα","","","0.0896","","","","0.2326","","","","","","1.049","","","","has coordinates","223708","2020-10-21","18:00:00",""
"7233022","7.271","0.003","9.426","0.009","11.546","0.006","67.88","0.05","74.83","0.04","79.16","0.05","704","0.9","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H22 N2 S6 -","- C34 H22 N2 S6 -","- C34 H22 N2 S6 -","1","0.5","","Fan, Shuxiang; Kiyota, Yasuhiro; Iijima, Kodai; Ryo, Suho; Kawamoto, Tadashi; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko","Charge-transfer complexes of sulfur-rich acceptors derived from birhodanines","CrystEngComm","2019","21","35","5227","","10.1039/C9CE00952C","","","0.71069","MoKα","","","0.0538","","","","0.1582","","","","","","1","","","","has coordinates","223708","2020-10-21","18:00:00",""
"7233023","7.326","0.003","8.145","0.004","11.233","0.004","92.52","0.03","103.51","0.03","97.61","0.04","644","0.5","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H22 N2 O2 S4 -","- C30 H22 N2 O2 S4 -","- C30 H22 N2 O2 S4 -","1","0.5","","Fan, Shuxiang; Kiyota, Yasuhiro; Iijima, Kodai; Ryo, Suho; Kawamoto, Tadashi; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko","Charge-transfer complexes of sulfur-rich acceptors derived from birhodanines","CrystEngComm","2019","21","35","5227","","10.1039/C9CE00952C","","","0.71069","MoKα","","","0.0767","","","","0.2532","","","","","","0.967","","","","has coordinates","223708","2020-10-21","18:00:00",""
"7233027","25.864","0.005","17.137","0.003","15.838","0.003","90","","118.8","0.03","90","","6152","3","273","2","273.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C60 H42 Cd2 N6 O10 -","- C60 H42 Cd2 N6 O10 -","- C240 H168 Cd8 N24 O40 -","4","1","","Chen, Di-Ming; Zhang, Xue-Jing","Stepwise and hysteretic sorption of CO2 in polycatenated metal‒organic frameworks","CrystEngComm","2019","21","32","4696","","10.1039/C9CE00760A","","","0.71073","MoKα","","0.0539","0.0483","","","0.1174","0.1209","","","","","","1.032","","","","has coordinates,has disorder","223515","2020-10-21","18:00:00",""
"7233028","25.124","0.0012","17.0584","0.0005","30.6102","0.0013","90","","113.725","0.005","90","","12010.1","1","129.9","0.14","129.9","0.14","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H48 N6 O10 Zn2 -","- C62 H48 N6 O10 Zn2 -","- C496 H384 N48 O80 Zn16 -","8","1","","Chen, Di-Ming; Zhang, Xue-Jing","Stepwise and hysteretic sorption of CO2 in polycatenated metal‒organic frameworks","CrystEngComm","2019","21","32","4696","","10.1039/C9CE00760A","","","0.71073","MoKα","","0.0844","0.0603","","","0.1589","0.171","","","","","","1.066","","","","has coordinates","223515","2020-10-21","18:00:00",""
"7233029","9.0814","0.0005","10.8169","0.0007","13.2198","0.001","71.227","0.006","77.368","0.006","76.688","0.005","1181.67","0.14","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H27 N3 O4 -","- C28 H27 N3 O4 -","- C56 H54 N6 O8 -","2","1","","Baruah, Jubaraj Bikash; Singh, Munendra Pal; Tarai, Arup","Photo-physical Properties of Salts of a Di-topic Imidazole-Tethered Anthracene Derivative in Solid and Solution","CrystEngComm","2019","","","","","10.1039/C9CE00791A","","","0.71073","MoKα","","0.0619","0.0439","","","0.0913","0.1017","","","","","","1.069","","","","has coordinates","216849","2020-10-21","18:00:00",""
"7233030","10.4383","0.0008","11.4715","0.001","11.7976","0.0009","63.382","0.008","73.6","0.007","86.147","0.007","1208.7","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H25 N5 O5 -","- C27 H25 N5 O5 -","- C54 H50 N10 O10 -","2","1","","Baruah, Jubaraj Bikash; Singh, Munendra Pal; Tarai, Arup","Photo-physical Properties of Salts of a Di-topic Imidazole-Tethered Anthracene Derivative in Solid and Solution","CrystEngComm","2019","","","","","10.1039/C9CE00791A","","","0.71073","MoKα","","0.1028","0.0587","","","0.0893","0.111","","","","","","1.078","","","","has coordinates","216849","2020-10-21","18:00:00",""
"7233031","8.985","0.002","11.283","0.003","13.06","0.004","67.661","0.003","81.101","0.003","77.003","0.003","1189.7","0.6","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H26 N4 O4 -","- C28 H26 N4 O4 -","- C56 H52 N8 O8 -","2","1","","Baruah, Jubaraj Bikash; Singh, Munendra Pal; Tarai, Arup","Photo-physical Properties of Salts of a Di-topic Imidazole-Tethered Anthracene Derivative in Solid and Solution","CrystEngComm","2019","","","","","10.1039/C9CE00791A","","","0.71073","MoKα","","0.0686","0.0432","","","0.0831","0.0938","","","","","","1.046","","","","has coordinates","216849","2020-10-21","18:00:00",""
"7233032","10.674","0.003","11.727","0.003","12.647","0.003","94.364","0.005","108.528","0.004","97.669","0.005","1475.7","0.7","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H31 N5 O6 -","- C33 H31 N5 O6 -","- C66 H62 N10 O12 -","2","1","","Baruah, Jubaraj Bikash; Singh, Munendra Pal; Tarai, Arup","Photo-physical Properties of Salts of a Di-topic Imidazole-Tethered Anthracene Derivative in Solid and Solution","CrystEngComm","2019","","","","","10.1039/C9CE00791A","","","0.71073","MoKα","","0.0815","0.0521","","","0.0993","0.1127","","","","","","1.027","","","","has coordinates","216849","2020-10-21","18:00:00",""
"7233033","8.8","0.002","13.141","0.003","13.204","0.003","113.694","0.007","99.703","0.007","107.153","0.007","1262.1","0.5","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H24 N6 O7 -","- C27 H24 N6 O7 -","- C54 H48 N12 O14 -","2","1","","Baruah, Jubaraj Bikash; Singh, Munendra Pal; Tarai, Arup","Photo-physical Properties of Salts of a Di-topic Imidazole-Tethered Anthracene Derivative in Solid and Solution","CrystEngComm","2019","","","","","10.1039/C9CE00791A","","","0.71073","MoKα","","0.1229","0.0564","","","0.1049","0.1187","","","","","","0.948","","","","has coordinates","216849","2020-10-21","18:00:00",""
"7233037","5.5006","0.0008","5.8258","0.0008","6.5611","0.0009","76.395","0.002","67.816","0.002","79.145","0.002","188.07","0.05","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H10 N2 O5.786 -","- C4 H10 N2 O5.786 -","- C4 H10 N2 O5.786 -","1","0.5","","Churakov, Andrei V.; Grishanov, Dmitry A.; Medvedev, Alexander G.; Mikhaylov, Alexey A.; Tripol'skaya, Tatiana A.; Vener, Mikhail V.; Navasardyan, Mger A.; Lev, Ovadia; Prikhodchenko, Petr V.","Cyclic dipeptide peroxosolvates: first direct evidence for hydrogen bonding between hydrogen peroxide and a peptide backbone","CrystEngComm","2019","21","33","4961","","10.1039/C9CE00892F","","","0.71073","MoKα","","0.0412","0.0385","","","0.1024","0.1049","","","","","","1.055","","","","has coordinates,has disorder","223530","2020-10-21","18:00:00",""
"7233038","7.439","0.002","8.215","0.002","8.298","0.002","97.332","0.004","104.578","0.004","104.053","0.004","466.4","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H14 N2 O6 -","- C6 H14 N2 O6 -","- C12 H28 N4 O12 -","2","1","","Churakov, Andrei V.; Grishanov, Dmitry A.; Medvedev, Alexander G.; Mikhaylov, Alexey A.; Tripol'skaya, Tatiana A.; Vener, Mikhail V.; Navasardyan, Mger A.; Lev, Ovadia; Prikhodchenko, Petr V.","Cyclic dipeptide peroxosolvates: first direct evidence for hydrogen bonding between hydrogen peroxide and a peptide backbone","CrystEngComm","2019","21","33","4961","","10.1039/C9CE00892F","","","0.71073","MoKα","","0.067","0.0555","","","0.1517","0.1594","","","","","","1.109","","","","has coordinates","223530","2020-10-21","18:00:00",""
"7233039","5.654","0.003","5.802","0.003","6.648","0.003","76.505","0.008","66.44","0.007","79.984","0.008","193.59","0.17","230","2","230","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H10 N2 O6 -","- C4 H10 N2 O6 -","- C4 H10 N2 O6 -","1","0.5","","Churakov, Andrei V.; Grishanov, Dmitry A.; Medvedev, Alexander G.; Mikhaylov, Alexey A.; Tripol'skaya, Tatiana A.; Vener, Mikhail V.; Navasardyan, Mger A.; Lev, Ovadia; Prikhodchenko, Petr V.","Cyclic dipeptide peroxosolvates: first direct evidence for hydrogen bonding between hydrogen peroxide and a peptide backbone","CrystEngComm","2019","21","33","4961","","10.1039/C9CE00892F","","","0.71073","MoKα","","0.0496","0.0417","","","0.1165","0.1242","","","","","","1.053","","","","has coordinates","223530","2020-10-21","18:00:00",""
"7233040","8.2527","0.0013","6.6341","0.001","15.034","0.002","90","","99.847","0.002","90","","811","0.2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H12 N2 O4 -","- C6 H12 N2 O4 -","- C24 H48 N8 O16 -","4","1","","Churakov, Andrei V.; Grishanov, Dmitry A.; Medvedev, Alexander G.; Mikhaylov, Alexey A.; Tripol'skaya, Tatiana A.; Vener, Mikhail V.; Navasardyan, Mger A.; Lev, Ovadia; Prikhodchenko, Petr V.","Cyclic dipeptide peroxosolvates: first direct evidence for hydrogen bonding between hydrogen peroxide and a peptide backbone","CrystEngComm","2019","21","33","4961","","10.1039/C9CE00892F","","","0.71073","MoKα","","0.0382","0.034","","","0.1012","0.1046","","","","","","1.095","","","","has coordinates","223530","2020-10-21","18:00:00",""
"7233050","9.3","0.0008","9.3023","0.0008","11.3137","0.001","94.166","0.007","108.407","0.008","96.344","0.007","916.98","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H38 Br4 N2 O2 Zn2 -","- C38 H38 Br4 N2 O2 Zn2 -","- C38 H38 Br4 N2 O2 Zn2 -","1","0.5","","Seiler, Vanessa Kristina; Robeyns, Koen; Tumanov, Nikolay; Cinčić, Dominik; Wouters, Johan; Champagne, Benoit; Leyssens, Tom","A coloring tool for spiropyrans: solid state metal‒organic complexation versus salification","CrystEngComm","2019","21","33","4925","","10.1039/C9CE00805E","","","0.77936","synchrotron","","0.0776","0.0673","","","0.1822","0.1899","","","","","","1.079","","","","has coordinates,has disorder","223531","2020-10-21","18:00:00",""
"7233051","8.8991","0.0003","13.0969","0.0004","19.863","0.0006","90","","90.033","0.003","90","","2315.04","0.13","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49 H48 Cl4 N2 O3 Zn2 -","- C49 H48 Cl4 N2 O3 Zn2 -","- C98 H96 Cl8 N4 O6 Zn4 -","2","0.5","","Seiler, Vanessa Kristina; Robeyns, Koen; Tumanov, Nikolay; Cinčić, Dominik; Wouters, Johan; Champagne, Benoit; Leyssens, Tom","A coloring tool for spiropyrans: solid state metal‒organic complexation versus salification","CrystEngComm","2019","21","33","4925","","10.1039/C9CE00805E","","","0.71073","MoKα","","0.0326","0.03","","","0.077","0.0787","","","","","","1.04","","","","has coordinates,has disorder","223531","2020-10-21","18:00:00",""
"7233052","17.659","0.004","15.216","0.003","6.9834","0.0012","90","","94.06","0.02","90","","1871.7","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 Cl2 N2 O3 Zn -","- C19 H18 Cl2 N2 O3 Zn -","- C76 H72 Cl8 N8 O12 Zn4 -","4","1","","Seiler, Vanessa Kristina; Robeyns, Koen; Tumanov, Nikolay; Cinčić, Dominik; Wouters, Johan; Champagne, Benoit; Leyssens, Tom","A coloring tool for spiropyrans: solid state metal‒organic complexation versus salification","CrystEngComm","2019","21","33","4925","","10.1039/C9CE00805E","","","0.68683","synchrotron","","0.1643","0.0982","","","0.2086","0.2361","","","","","","1.063","","","","has coordinates","223531","2020-10-21","18:00:00",""
"7233053","11.8909","0.0007","12.6582","0.0007","25.0471","0.0016","90","","98.073","0.006","90","","3732.7","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H37 Cl3 N4 O6 Zn -","- C38 H37 Cl3 N4 O6 Zn -","- C152 H148 Cl12 N16 O24 Zn4 -","4","1","","Seiler, Vanessa Kristina; Robeyns, Koen; Tumanov, Nikolay; Cinčić, Dominik; Wouters, Johan; Champagne, Benoit; Leyssens, Tom","A coloring tool for spiropyrans: solid state metal‒organic complexation versus salification","CrystEngComm","2019","21","33","4925","","10.1039/C9CE00805E","","","0.71073","MoKα","","0.0624","0.0422","","","0.0938","0.102","","","","","","1.04","","","","has coordinates","223531","2020-10-21","18:00:00",""
"7233054","10.1512","0.0003","12.0717","0.0004","21.8754","0.0007","84.876","0.003","77.406","0.002","65.333","0.003","2377.43","0.14","295","2","295","2","","","","","","","","6","P -1","-P 1","2","zinc(2+) ion 2-[(E)-2-(3-methoxy-2-oxidophenyl)ethenyl]-1,3,3-trimethyl-3H-indol-1-ium ethanol dibromide","zinc(2+) ion 2-[(E)-2-(3-methoxy-2-oxidophenyl)ethenyl]-1,3,3-trimethyl-3H-indol-1-ium ethanol dibromide","","- C22 H26 Br2 N O3 Zn -","- C22 H26 Br2 N O3 Zn -","- C88 H104 Br8 N4 O12 Zn4 -","4","2","","Seiler, Vanessa Kristina; Robeyns, Koen; Tumanov, Nikolay; Cinčić, Dominik; Wouters, Johan; Champagne, Benoit; Leyssens, Tom","A coloring tool for spiropyrans: solid state metal‒organic complexation versus salification","CrystEngComm","2019","21","33","4925","","10.1039/C9CE00805E","","","1.54184","CuKα","","0.063","0.0567","","","0.1558","0.1657","","","","","","1.052","","","","has coordinates,has disorder","223531","2020-10-21","18:00:00",""
"7233055","8.289","0.0005","21.5395","0.0016","12.2257","0.0011","90","","97.748","0.007","90","","2162.9","0.3","297","2","297","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 Cl3 N O2 Zn -","- C19 H22 Cl3 N O2 Zn -","- C76 H88 Cl12 N4 O8 Zn4 -","4","1","","Seiler, Vanessa Kristina; Robeyns, Koen; Tumanov, Nikolay; Cinčić, Dominik; Wouters, Johan; Champagne, Benoit; Leyssens, Tom","A coloring tool for spiropyrans: solid state metal‒organic complexation versus salification","CrystEngComm","2019","21","33","4925","","10.1039/C9CE00805E","","","0.71073","MoKα","","0.1045","0.0651","","","0.1083","0.1217","","","","","","1.084","","","","has coordinates","223531","2020-10-21","18:00:00",""
"7233056","8.8651","0.00016","14.8667","0.0004","15.2523","0.0005","113.831","0.003","94.587","0.002","91.7161","0.0019","1828.62","0.09","295","2","295","2","","","","","","","","6","P -1","-P 1","2","zinc(2+) ion bis(1,3,3-trimethyl-2-[(E)-2-(5-nitro-2-oxidophenyl)ethenyl]-3H-indol-1-ium) dichloride","zinc(2+) ion bis(1,3,3-trimethyl-2-[(E)-2-(5-nitro-2-oxidophenyl)ethenyl]-3H-indol-1-ium) dichloride","","- C38 H36 Cl2 N4 O6 Zn -","- C38 H36 Cl2 N4 O6 Zn -","- C76 H72 Cl4 N8 O12 Zn2 -","2","1","","Seiler, Vanessa Kristina; Robeyns, Koen; Tumanov, Nikolay; Cinčić, Dominik; Wouters, Johan; Champagne, Benoit; Leyssens, Tom","A coloring tool for spiropyrans: solid state metal‒organic complexation versus salification","CrystEngComm","2019","21","33","4925","","10.1039/C9CE00805E","","","1.54184","CuKα","","0.0393","0.0369","","","0.1015","0.1049","","","","","","1.031","","","","has coordinates,has disorder","223531","2020-10-21","18:00:00",""
"7233057","12.388","0.006","13.671","0.007","14.855","0.008","108.02","0.05","101.2","0.04","101.01","0.04","2260","2","293","2","297","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H48 Cl4 N4 O12 Zn2 -","- C38 H36 Cl4 N4 O12 Zn2 -","- C76 H72 Cl8 N8 O24 Zn4 -","2","1","","Seiler, Vanessa Kristina; Robeyns, Koen; Tumanov, Nikolay; Cinčić, Dominik; Wouters, Johan; Champagne, Benoit; Leyssens, Tom","A coloring tool for spiropyrans: solid state metal‒organic complexation versus salification","CrystEngComm","2019","21","33","4925","","10.1039/C9CE00805E","","","0.71073","MoKα","","0.2868","0.1182","","","0.2032","0.247","","","","","","1.074","","","","has coordinates","223531","2020-10-21","18:00:00",""
"7233058","8.9744","0.00014","12.9849","0.0002","20.5608","0.0003","90","","91.4476","0.0014","90","","2395.22","0.06","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","dizinc(2+) ion bis(1,3,3-trimethyl-2-[(E)-2-(2-oxidonaphthalen-1-yl)ethenyl]-3H-indol-1-ium) tetrabromide acetone solvate","dizinc(2+) ion bis(1,3,3-trimethyl-2-[(E)-2-(2-oxidonaphthalen-1-yl)ethenyl]-3H-indol-1-ium) propan-2-one tetrabromide","","- C49 H48 Br4 N2 O3 Zn2 -","- C49 H48 Br4 N2 O3 Zn2 -","- C98 H96 Br8 N4 O6 Zn4 -","2","0.5","","Seiler, Vanessa Kristina; Robeyns, Koen; Tumanov, Nikolay; Cinčić, Dominik; Wouters, Johan; Champagne, Benoit; Leyssens, Tom","A coloring tool for spiropyrans: solid state metal‒organic complexation versus salification","CrystEngComm","2019","21","33","4925","","10.1039/C9CE00805E","","","1.54184","CuKα","","0.0405","0.0352","","","0.0908","0.0961","","","","","","1.037","","","","has coordinates,has disorder","223531","2020-10-21","18:00:00",""
"7233059","21.9384","0.0011","9.7692","0.0004","21.2029","0.001","90","","97.634","0.005","90","","4503.9","0.4","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C44 H56 Cl4 N2 O7 Zn2 -","- C44 H56 Cl4 N2 O7 Zn2 -","- C176 H224 Cl16 N8 O28 Zn8 -","4","1","","Seiler, Vanessa Kristina; Robeyns, Koen; Tumanov, Nikolay; Cinčić, Dominik; Wouters, Johan; Champagne, Benoit; Leyssens, Tom","A coloring tool for spiropyrans: solid state metal‒organic complexation versus salification","CrystEngComm","2019","21","33","4925","","10.1039/C9CE00805E","","","0.71073","MoKα","","0.0448","0.0389","","","0.0934","0.0972","","","","","","1.042","","","","has coordinates,has disorder","223531","2020-10-21","18:00:00",""
"7233060","17.517","0.007","15.29","0.004","7.252","0.002","90","","92.47","0.03","90","","1940.5","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 Br2 N2 O3 Zn -","- C19 H18 Br2 N2 O3 Zn -","- C76 H72 Br8 N8 O12 Zn4 -","4","1","","Seiler, Vanessa Kristina; Robeyns, Koen; Tumanov, Nikolay; Cinčić, Dominik; Wouters, Johan; Champagne, Benoit; Leyssens, Tom","A coloring tool for spiropyrans: solid state metal‒organic complexation versus salification","CrystEngComm","2019","21","33","4925","","10.1039/C9CE00805E","","","0.68683","synchrotron","","0.2563","0.1949","","","0.3823","0.4257","","","","","","1.439","","","","has coordinates","223531","2020-10-21","18:00:00",""
"7233061","6.5663","0.0008","15.809","0.0012","20.1333","0.0015","90","","90","","90","","2090","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 Cl2 N2 O6 Zn -","- C19 H24 Cl2 N2 O6 Zn -","- C76 H96 Cl8 N8 O24 Zn4 -","4","1","","Seiler, Vanessa Kristina; Robeyns, Koen; Tumanov, Nikolay; Cinčić, Dominik; Wouters, Johan; Champagne, Benoit; Leyssens, Tom","A coloring tool for spiropyrans: solid state metal‒organic complexation versus salification","CrystEngComm","2019","21","33","4925","","10.1039/C9CE00805E","","","0.6866","synchrotron","","0.1007","0.0699","","","0.1286","0.1396","","","","","","1.048","","","","has coordinates","223531","2020-10-21","18:00:00",""
"7233062","14.4022","0.0007","13.0338","0.0006","26.6165","0.0016","90","","99.77","0.006","90","","4923.9","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H45 Br4 N7 O6 Zn2 -","- C44 H45 Br4 N7 O6 Zn2 -","- C176 H180 Br16 N28 O24 Zn8 -","4","1","","Seiler, Vanessa Kristina; Robeyns, Koen; Tumanov, Nikolay; Cinčić, Dominik; Wouters, Johan; Champagne, Benoit; Leyssens, Tom","A coloring tool for spiropyrans: solid state metal‒organic complexation versus salification","CrystEngComm","2019","21","33","4925","","10.1039/C9CE00805E","","","0.71073","MoKα","","0.0632","0.0458","","","0.1028","0.1101","","","","","","1.06","","","","has coordinates","223531","2020-10-21","18:00:00",""
"7233063","9.1737","0.0006","14.969","0.0014","15.421","0.002","116.717","0.011","98.405","0.008","89.487","0.007","1867.4","0.4","297","2","297","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H36 Br2 N4 O6 Zn -","- C38 H36 Br2 N4 O6 Zn -","- C76 H72 Br4 N8 O12 Zn2 -","2","1","","Seiler, Vanessa Kristina; Robeyns, Koen; Tumanov, Nikolay; Cinčić, Dominik; Wouters, Johan; Champagne, Benoit; Leyssens, Tom","A coloring tool for spiropyrans: solid state metal‒organic complexation versus salification","CrystEngComm","2019","21","33","4925","","10.1039/C9CE00805E","","","0.71073","MoKα","","0.0611","0.0416","","","0.0873","0.0949","","","","","","1.038","","","","has coordinates","223531","2020-10-21","18:00:00",""
"7233064","11.6156","0.0011","13.0124","0.0006","14.0058","0.0014","77.862","0.006","76.661","0.008","87.03","0.006","2013.8","0.3","297","2","297","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H40 Cl4 Co N4 O7 -","- C38 H40 Cl4 Co N4 O7 -","- C76 H80 Cl8 Co2 N8 O14 -","2","1","","Seiler, Vanessa Kristina; Robeyns, Koen; Tumanov, Nikolay; Cinčić, Dominik; Wouters, Johan; Champagne, Benoit; Leyssens, Tom","A coloring tool for spiropyrans: solid state metal‒organic complexation versus salification","CrystEngComm","2019","21","33","4925","","10.1039/C9CE00805E","","","0.71073","MoKα","","0.0994","0.0632","","","0.1293","0.144","","","","","","1.041","","","","has coordinates","223531","2020-10-21","18:00:00",""
"7233065","11.9195","0.0009","12.6137","0.0007","25.1143","0.0014","90","","97.136","0.006","90","","3746.7","0.4","297","2","297","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H37 Cl3 Co N4 O6 -","- C38 H37 Cl3 Co N4 O6 -","- C152 H148 Cl12 Co4 N16 O24 -","4","1","","Seiler, Vanessa Kristina; Robeyns, Koen; Tumanov, Nikolay; Cinčić, Dominik; Wouters, Johan; Champagne, Benoit; Leyssens, Tom","A coloring tool for spiropyrans: solid state metal‒organic complexation versus salification","CrystEngComm","2019","21","33","4925","","10.1039/C9CE00805E","","","0.71073","MoKα","","0.0994","0.0547","","","0.0971","0.1128","","","","","","1.023","","","","has coordinates","223531","2020-10-21","18:00:00",""
"7233066","11.8302","0.0004","12.7363","0.0003","24.687","0.0009","90","","98.6","0.003","90","","3677.8","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39.07 H39.68 Br2.46 N4 O6.54 Zn -","- C39.0728 H39.6824 Br2.464 N4 O6.5364 Zn -","- C156.291 H158.73 Br9.856 N16 O26.1456 Zn4 -","4","1","","Seiler, Vanessa Kristina; Robeyns, Koen; Tumanov, Nikolay; Cinčić, Dominik; Wouters, Johan; Champagne, Benoit; Leyssens, Tom","A coloring tool for spiropyrans: solid state metal‒organic complexation versus salification","CrystEngComm","2019","21","33","4925","","10.1039/C9CE00805E","","","0.77936","synchrotron","","0.0681","0.0529","","","0.1249","0.1316","","","","","","1.047","","","","has coordinates,has disorder","223531","2020-10-21","18:00:00",""
"7233067","18.5626","0.0007","18.5626","0.0007","23.7453","0.001","90","","90","","120","","7085.8","0.5","150","2","150","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C23 H17 Cu2 N O10 -","- C23 H16 Cu2 N O10 -","- C138 H96 Cu12 N6 O60 -","6","0.25","","Xu, Tingting; Jiang, Zhenzhen; He, Minghui; Gao, Xiaoxia; He, Yabing","Effect of arrangement of functional groups on stability and gas adsorption properties in two regioisomeric copper bent diisophthalate frameworks","CrystEngComm","2019","21","32","4820","","10.1039/C9CE00882A","","","1.54178","CuKα","","0.0776","0.0677","","","0.2631","0.2745","","","","","","1.091","","","","has coordinates","223516","2020-10-21","18:00:00",""
"7233068","18.6231","0.0007","18.6231","0.0007","23.8591","0.001","90","","90","","120","","7166.2","0.5","150","2","150","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C23 H17 Cu2 N O10 -","- C23 H17 Cu2 N O10 -","- C138 H102 Cu12 N6 O60 -","6","0.25","","Xu, Tingting; Jiang, Zhenzhen; He, Minghui; Gao, Xiaoxia; He, Yabing","Effect of arrangement of functional groups on stability and gas adsorption properties in two regioisomeric copper bent diisophthalate frameworks","CrystEngComm","2019","21","32","4820","","10.1039/C9CE00882A","","","1.54178","CuKα","","0.0717","0.0488","","","0.1705","0.2016","","","","","","1.034","","","","has coordinates","223516","2020-10-21","18:00:00",""
"7233069","10.2378","0.0011","10.1117","0.0009","13.0302","0.001","90","","92.895","0.005","90","","1347.2","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 N3 O3 -","- C13 H15 N3 O3 -","- C52 H60 N12 O12 -","4","1","","Devi, Kakali; Sarma, Rupam J.","Mechano-responsive luminescent emissions of an organic molecular crystal: effects of aromatic stacking interactions and solid state packing","CrystEngComm","2019","21","32","4811","","10.1039/C9CE00659A","","","0.71073","MoKα","","0.0588","0.0436","","","0.1258","0.145","","","","","","1.057","","","","has coordinates","223513","2020-10-21","18:00:00",""
"7233070","16.1385","0.0017","4.7309","0.0005","15.7978","0.0017","90","","114.296","0.005","90","","1099.3","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 N3 O2 -","- C12 H11 N3 O2 -","- C48 H44 N12 O8 -","4","1","","Devi, Kakali; Sarma, Rupam J.","Mechano-responsive luminescent emissions of an organic molecular crystal: effects of aromatic stacking interactions and solid state packing","CrystEngComm","2019","21","32","4811","","10.1039/C9CE00659A","","","0.71073","MoKα","","0.0893","0.0602","","","0.1476","0.1743","","","","","","1.125","","","","has coordinates","223513","2020-10-21","18:00:00",""
"7233083","14.6447","0.001","10.5774","0.0008","16.4505","0.0012","90","","103.302","0.002","90","","2479.9","0.3","302","2","302","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","PrTPTZ","","","- C20 H15 N10 O9 Pr -","- C20 H15 N10 O9 Pr -","- C80 H60 N40 O36 Pr4 -","4","1","","Yue, Zenghui; Lu, Huangjie; Li, Zijian; Guo, Shangyao; Song, Junze; Ren, Yi Ming; Huang, Yuying; Lin, Jian; Wang, Jian-Qiang","Structural Evolution and Tuneable Photoluminescence of f-Element Bearing Coordination Polymers of the 2,4,6-tri-α-pyridyl-1,3,5-triazine Ligand","CrystEngComm","2019","","","","","10.1039/C9CE00867E","","","0.71073","MoKα","","0.0875","0.0551","","","0.158","0.1988","","","","","","1.078","","","","has coordinates","216989","2020-10-21","18:00:00",""
"7233084","14.62","0.0007","10.5736","0.0005","16.4263","0.0007","90","","103.281","0.001","90","","2471.4","0.2","302","2","302","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","NdTPTZ","","","- C20 H15 N10 Nd O9 -","- C20 H15 N10 Nd O9 -","- C80 H60 N40 Nd4 O36 -","4","1","","Yue, Zenghui; Lu, Huangjie; Li, Zijian; Guo, Shangyao; Song, Junze; Ren, Yi Ming; Huang, Yuying; Lin, Jian; Wang, Jian-Qiang","Structural Evolution and Tuneable Photoluminescence of f-Element Bearing Coordination Polymers of the 2,4,6-tri-α-pyridyl-1,3,5-triazine Ligand","CrystEngComm","2019","","","","","10.1039/C9CE00867E","","","0.71073","MoKα","","0.0501","0.041","","","0.0915","0.0974","","","","","","1.094","","","","has coordinates","216989","2020-10-21","18:00:00",""
"7233085","9.5767","0.0002","10.6201","0.0002","13.5852","0.0003","90.103","0.001","84.903","0.001","69.067","0.001","1284.56","0.05","303","2","303","2","","","","","","","","5","P -1","-P 1","2","HoTPTZ","","","- C20 H17 Ho N10 O10 -","- C20 H17 Ho N10 O10 -","- C40 H34 Ho2 N20 O20 -","2","1","","Yue, Zenghui; Lu, Huangjie; Li, Zijian; Guo, Shangyao; Song, Junze; Ren, Yi Ming; Huang, Yuying; Lin, Jian; Wang, Jian-Qiang","Structural Evolution and Tuneable Photoluminescence of f-Element Bearing Coordination Polymers of the 2,4,6-tri-α-pyridyl-1,3,5-triazine Ligand","CrystEngComm","2019","","","","","10.1039/C9CE00867E","","","0.71073","MoKα","","0.0318","0.0302","","","0.0772","0.0786","","","","","","1.039","","","","has coordinates","216989","2020-10-21","18:00:00",""
"7233086","9.5728","0.0002","10.6394","0.0003","13.7014","0.0003","89.908","0.001","84.942","0.001","69.801","0.001","1303.93","0.05","303","2","303","2","","","","","","","","5","P -1","-P 1","2","NdTPTZ","","","- C20 H17 N10 Nd O10 -","- C20 H17 N10 Nd O10 -","- C40 H34 N20 Nd2 O20 -","2","1","","Yue, Zenghui; Lu, Huangjie; Li, Zijian; Guo, Shangyao; Song, Junze; Ren, Yi Ming; Huang, Yuying; Lin, Jian; Wang, Jian-Qiang","Structural Evolution and Tuneable Photoluminescence of f-Element Bearing Coordination Polymers of the 2,4,6-tri-α-pyridyl-1,3,5-triazine Ligand","CrystEngComm","2019","","","","","10.1039/C9CE00867E","","","0.71073","MoKα","","0.04","0.0356","","","0.0842","0.0876","","","","","","1.045","","","","has coordinates","216989","2020-10-21","18:00:00",""
"7233087","9.5833","0.0012","10.6466","0.0013","13.7055","0.0015","89.78","0.004","84.84","0.004","69.902","0.004","1307.3","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","PrTPTZ","","","- C20 H17 N10 O10 Pr -","- C20 H17 N10 O10 Pr -","- C40 H34 N20 O20 Pr2 -","2","1","","Yue, Zenghui; Lu, Huangjie; Li, Zijian; Guo, Shangyao; Song, Junze; Ren, Yi Ming; Huang, Yuying; Lin, Jian; Wang, Jian-Qiang","Structural Evolution and Tuneable Photoluminescence of f-Element Bearing Coordination Polymers of the 2,4,6-tri-α-pyridyl-1,3,5-triazine Ligand","CrystEngComm","2019","","","","","10.1039/C9CE00867E","","","0.71073","MoKα","","0.041","0.0382","","","0.0961","0.0989","","","","","","1.041","","","","has coordinates","216989","2020-10-21","18:00:00",""
"7233088","9.5666","0.0006","10.6253","0.0006","13.6627","0.0007","89.966","0.002","84.946","0.002","69.6","0.002","1295.95","0.13","303","2","303","2","","","","","","","","5","P -1","-P 1","2","SmTPTZ","","","- C20 H17 N10 O10 Sm -","- C20 H17 N10 O10 Sm -","- C40 H34 N20 O20 Sm2 -","2","1","","Yue, Zenghui; Lu, Huangjie; Li, Zijian; Guo, Shangyao; Song, Junze; Ren, Yi Ming; Huang, Yuying; Lin, Jian; Wang, Jian-Qiang","Structural Evolution and Tuneable Photoluminescence of f-Element Bearing Coordination Polymers of the 2,4,6-tri-α-pyridyl-1,3,5-triazine Ligand","CrystEngComm","2019","","","","","10.1039/C9CE00867E","","","0.71073","MoKα","","0.0375","0.0333","","","0.0821","0.0855","","","","","","1.041","","","","has coordinates","216989","2020-10-21","18:00:00",""
"7233089","9.5825","0.0002","10.6229","0.0003","13.5597","0.0003","90.071","0.001","84.831","0.001","68.906","0.001","1281.72","0.05","288","2","288","2","","","","","","","","5","P -1","-P 1","2","ErTPTZ","","","- C20 H17 Er N10 O10 -","- C20 H17 Er N10 O10 -","- C40 H34 Er2 N20 O20 -","2","1","","Yue, Zenghui; Lu, Huangjie; Li, Zijian; Guo, Shangyao; Song, Junze; Ren, Yi Ming; Huang, Yuying; Lin, Jian; Wang, Jian-Qiang","Structural Evolution and Tuneable Photoluminescence of f-Element Bearing Coordination Polymers of the 2,4,6-tri-α-pyridyl-1,3,5-triazine Ligand","CrystEngComm","2019","","","","","10.1039/C9CE00867E","","","0.71073","MoKα","","0.0362","0.0323","","","0.0798","0.0867","","","","","","1.065","","","","has coordinates","216989","2020-10-21","18:00:00",""
"7233090","9.912","0.0013","11.7216","0.0016","12.4564","0.0017","95.57","0.005","94.166","0.005","100.89","0.004","1408.3","0.3","292","2","292","2","","","","","","","","5","P -1","-P 1","2","LuTPTZ","","","- C22 H20 Lu N11 O10 -","- C22 H20 Lu N11 O10 -","- C44 H40 Lu2 N22 O20 -","2","1","","Yue, Zenghui; Lu, Huangjie; Li, Zijian; Guo, Shangyao; Song, Junze; Ren, Yi Ming; Huang, Yuying; Lin, Jian; Wang, Jian-Qiang","Structural Evolution and Tuneable Photoluminescence of f-Element Bearing Coordination Polymers of the 2,4,6-tri-α-pyridyl-1,3,5-triazine Ligand","CrystEngComm","2019","","","","","10.1039/C9CE00867E","","","0.71073","MoKα","","0.0328","0.0316","","","0.0826","0.0837","","","","","","1.054","","","","has coordinates","216989","2020-10-21","18:00:00",""
"7233091","9.926","0.002","11.74","0.003","12.473","0.003","95.343","0.008","94.291","0.008","100.894","0.008","1414.7","0.6","292","2","292","2","","","","","","","","5","P -1","-P 1","2","TmTPTZ","","","- C22 H20 N11 O10 Tm -","- C22 H20 N11 O10 Tm -","- C44 H40 N22 O20 Tm2 -","2","1","","Yue, Zenghui; Lu, Huangjie; Li, Zijian; Guo, Shangyao; Song, Junze; Ren, Yi Ming; Huang, Yuying; Lin, Jian; Wang, Jian-Qiang","Structural Evolution and Tuneable Photoluminescence of f-Element Bearing Coordination Polymers of the 2,4,6-tri-α-pyridyl-1,3,5-triazine Ligand","CrystEngComm","2019","","","","","10.1039/C9CE00867E","","","0.71073","MoKα","","0.0342","0.0325","","","0.0845","0.0861","","","","","","1.027","","","","has coordinates","216989","2020-10-21","18:00:00",""
"7233092","9.5677","0.0002","10.6207","0.0002","13.6374","0.0003","90.032","0.001","84.971","0.001","69.436","0.001","1291.75","0.05","303","2","303","2","","","","","","","","5","P -1","-P 1","2","GdTPTZ","","","- C20 H17 Gd N10 O10 -","- C20 H17 Gd N10 O10 -","- C40 H34 Gd2 N20 O20 -","2","1","","Yue, Zenghui; Lu, Huangjie; Li, Zijian; Guo, Shangyao; Song, Junze; Ren, Yi Ming; Huang, Yuying; Lin, Jian; Wang, Jian-Qiang","Structural Evolution and Tuneable Photoluminescence of f-Element Bearing Coordination Polymers of the 2,4,6-tri-α-pyridyl-1,3,5-triazine Ligand","CrystEngComm","2019","","","","","10.1039/C9CE00867E","","","0.71073","MoKα","","0.0337","0.0317","","","0.0804","0.082","","","","","","1.029","","","","has coordinates","216989","2020-10-21","18:00:00",""
"7233093","9.345","0.003","19.718","0.005","11.382","0.003","90","","96.384","0.009","90","","2084.3","1","283","2","283","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","UTPYZ","","","- C18 H12 N8 O8 U -","- C18 H12 N8 O8 U -","- C72 H48 N32 O32 U4 -","4","1","","Yue, Zenghui; Lu, Huangjie; Li, Zijian; Guo, Shangyao; Song, Junze; Ren, Yi Ming; Huang, Yuying; Lin, Jian; Wang, Jian-Qiang","Structural Evolution and Tuneable Photoluminescence of f-Element Bearing Coordination Polymers of the 2,4,6-tri-α-pyridyl-1,3,5-triazine Ligand","CrystEngComm","2019","","","","","10.1039/C9CE00867E","","","0.71073","MoKα","","0.0282","0.0195","","","0.0433","0.0476","","","","","","1.048","","","","has coordinates","216989","2020-10-21","18:00:00",""
"7233094","9.9111","0.0011","11.7258","0.0012","12.4564","0.0013","95.469","0.004","94.225","0.004","100.88","0.004","1408.9","0.3","302","2","302","2","","","","","","","","5","P -1","-P 1","2","YbTPTZ","","","- C22 H20 N11 O10 Yb -","- C22 H20 N11 O10 Yb -","- C44 H40 N22 O20 Yb2 -","2","1","","Yue, Zenghui; Lu, Huangjie; Li, Zijian; Guo, Shangyao; Song, Junze; Ren, Yi Ming; Huang, Yuying; Lin, Jian; Wang, Jian-Qiang","Structural Evolution and Tuneable Photoluminescence of f-Element Bearing Coordination Polymers of the 2,4,6-tri-α-pyridyl-1,3,5-triazine Ligand","CrystEngComm","2019","","","","","10.1039/C9CE00867E","","","0.71073","MoKα","","0.0767","0.044","","","0.0988","0.1253","","","","","","1.046","","","","has coordinates","216989","2020-10-21","18:00:00",""
"7233095","9.5688","0.0005","10.6168","0.0005","13.6158","0.0007","90.041","0.002","84.944","0.002","69.288","0.002","1288.04","0.11","280","2","280","2","","","","","","","","5","P -1","-P 1","2","TbTPTZ","","","- C20 H17 N10 O10 Tb -","- C20 H17 N10 O10 Tb -","- C40 H34 N20 O20 Tb2 -","2","1","","Yue, Zenghui; Lu, Huangjie; Li, Zijian; Guo, Shangyao; Song, Junze; Ren, Yi Ming; Huang, Yuying; Lin, Jian; Wang, Jian-Qiang","Structural Evolution and Tuneable Photoluminescence of f-Element Bearing Coordination Polymers of the 2,4,6-tri-α-pyridyl-1,3,5-triazine Ligand","CrystEngComm","2019","","","","","10.1039/C9CE00867E","","","0.71073","MoKα","","0.0343","0.0323","","","0.0828","0.0845","","","","","","1.049","","","","has coordinates","216989","2020-10-21","18:00:00",""
"7233096","9.5675","0.0005","10.6223","0.0006","13.6502","0.0007","90.02","0.002","84.971","0.002","69.52","0.002","1293.85","0.12","302","2","302","2","","","","","","","","5","P -1","-P 1","2","EuTPTZ","","","- C20 H17 Eu N10 O10 -","- C20 H17 Eu N10 O10 -","- C40 H34 Eu2 N20 O20 -","2","1","","Yue, Zenghui; Lu, Huangjie; Li, Zijian; Guo, Shangyao; Song, Junze; Ren, Yi Ming; Huang, Yuying; Lin, Jian; Wang, Jian-Qiang","Structural Evolution and Tuneable Photoluminescence of f-Element Bearing Coordination Polymers of the 2,4,6-tri-α-pyridyl-1,3,5-triazine Ligand","CrystEngComm","2019","","","","","10.1039/C9CE00867E","","","0.71073","MoKα","","0.0339","0.0323","","","0.0816","0.083","","","","","","1.036","","","","has coordinates","216989","2020-10-21","18:00:00",""
"7233097","9.5733","0.0003","10.6196","0.0003","13.5996","0.0004","90.078","0.001","84.911","0.001","69.159","0.001","1286.24","0.07","303","2","303","2","","","","","","","","5","P -1","-P 1","2","DyTPTZ","","","- C20 H17 Dy N10 O10 -","- C20 H17 Dy N10 O10 -","- C40 H34 Dy2 N20 O20 -","2","1","","Yue, Zenghui; Lu, Huangjie; Li, Zijian; Guo, Shangyao; Song, Junze; Ren, Yi Ming; Huang, Yuying; Lin, Jian; Wang, Jian-Qiang","Structural Evolution and Tuneable Photoluminescence of f-Element Bearing Coordination Polymers of the 2,4,6-tri-α-pyridyl-1,3,5-triazine Ligand","CrystEngComm","2019","","","","","10.1039/C9CE00867E","","","0.71073","MoKα","","0.0323","0.0304","","","0.0784","0.08","","","","","","1.038","","","","has coordinates","216989","2020-10-21","18:00:00",""
"7233133","6.2281","0.0005","19.4672","0.0019","15.2664","0.0013","90","","95.993","0.008","90","","1840.8","0.3","190","2","190","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H25 N O4 -","- C19 H25 N O4 -","- C76 H100 N4 O16 -","4","1","","Brock, A. J.; McMurtrie, John C.; Clegg, J. K.","Self-assembly of bis-β-diketone-based [M2L2] dinuclear platforms into 2-dimensional coordination polymers","CrystEngComm","2019","21","32","4786","","10.1039/C9CE00896A","","x-ray","1.54184","CuKα","","0.0729","0.0533","","","0.1489","0.1692","","","","","","1.051","","","","has coordinates,has disorder","223514","2020-10-21","18:00:00",""
"7233134","5.761","0.0012","9.921","0.002","16.902","0.003","75.2","0.03","88.4","0.03","74.52","0.03","899.3","0.4","100","","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H46 N2 O8 Pd2 -","- C38 H46 N2 O8 Pd2 -","- C38 H46 N2 O8 Pd2 -","1","0.5","","Brock, A. J.; McMurtrie, John C.; Clegg, J. K.","Self-assembly of bis-β-diketone-based [M2L2] dinuclear platforms into 2-dimensional coordination polymers","CrystEngComm","2019","21","32","4786","","10.1039/C9CE00896A","","","0.7108","MoKα","","0.1365","0.136","","","0.3838","0.3839","","","","","","1.224","","","","has coordinates,has disorder","223514","2020-10-21","18:00:00",""
"7233135","16.234","0.003","11.13","0.002","12.499","0.003","90","","105.22","0.03","90","","2179.2","0.8","100","","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H46 Cu2 N2 O8 -","- C38 H46 Cu2 N2 O8 -","- C76 H92 Cu4 N4 O16 -","2","0.5","","Brock, A. J.; McMurtrie, John C.; Clegg, J. K.","Self-assembly of bis-β-diketone-based [M2L2] dinuclear platforms into 2-dimensional coordination polymers","CrystEngComm","2019","21","32","4786","","10.1039/C9CE00896A","","","0.7108","MoKα","","0.0325","0.0318","","","0.087","0.0876","","","","","","1.055","","","","has coordinates,has disorder","223514","2020-10-21","18:00:00",""
"7233136","16.584","0.003","11.077","0.002","12.668","0.003","90","","107.26","0.03","90","","2222.3","0.9","100","","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H43.87 N2 O8 Zn2 -","- C38 H43.87 N2 O8 Zn2 -","- C76 H87.74 N4 O16 Zn4 -","2","0.5","","Brock, A. J.; McMurtrie, John C.; Clegg, J. K.","Self-assembly of bis-β-diketone-based [M2L2] dinuclear platforms into 2-dimensional coordination polymers","CrystEngComm","2019","21","32","4786","","10.1039/C9CE00896A","","","0.7108","Synchrotron","","0.1072","0.0851","","","0.1892","0.2078","","","","","","1.075","","","","has coordinates,has disorder","223514","2020-10-21","18:00:00",""
"7233207","9.7993","0.0004","9.7993","0.0004","7.2938","0.0003","90","","90","","120","","606.56","0.04","293","","293","","","","","","","","","4","P 63/m","-P 6c","176","","","","- Cu0.476 O12.83 P3 Sr5 -","- Cu0.476 O12.83 P3 Sr5 -","- Cu0.952 O25.66 P6 Sr10 -","2","0.166667","","Kazin, Pavel E.; Zykin, Mikhail A.; Jesche, Anton; Seidler, Maximilian L.; Tafeenko, Victor A.; Eliseev, Andrey A.; Trusov, Lev A.; Jansen, Martin","Manifestation of strong magnetic and giant Raman anisotropy in single crystals of Cu for H substituted strontium hydroxyapatite","CrystEngComm","2019","21","33","4976","","10.1039/C9CE00923J","","x-ray","0.71073","MoKα","","0.0537","0.0262","","","0.0254","0.0278","","","","1.1","1.1","0.97","","","","has coordinates","223529","2020-10-21","18:00:00",""
"7233208","8.9341","0.0004","8.9659","0.0005","11.9315","0.0006","75.325","0.004","81.348","0.004","89.62","0.004","913.55","0.08","293","2","293","","","","","","","","","5","P -1","-P 1","2","tenoxicam acetone solvate","","","- C16 H17 N3 O5 S2 -","- C16 H17 N3 O5 S2 -","- C32 H34 N6 O10 S4 -","2","1","","Arkhipov, Sergey G.; Sherin, Peter S.; Kiryutin, Alexey S.; Lazarenko, Vladimir A.; Tantardini, Christian","The role of S-bond in tenoxicam keto‒enolic tautomerization","CrystEngComm","2019","21","36","5392","","10.1039/C9CE00874H","","","0.71073","MoKα","","0.0518","0.0378","","","0.0971","0.1079","","","","","","1.052","","","","has coordinates,has disorder","223698","2020-10-21","18:00:00",""
"7233209","9.596","0.0019","16.74","0.003","28.301","0.006","90","","90","","90","","4546.2","1.6","100","1","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","tenoxicam chloroform II solvate","","","- C15 H13 Cl6 N3 O4 S2 -","- C15 H13 Cl6 N3 O4 S2 -","- C120 H104 Cl48 N24 O32 S16 -","8","2","","Arkhipov, Sergey G.; Sherin, Peter S.; Kiryutin, Alexey S.; Lazarenko, Vladimir A.; Tantardini, Christian","The role of S-bond in tenoxicam keto‒enolic tautomerization","CrystEngComm","2019","21","36","5392","","10.1039/C9CE00874H","","","0.7937","synchrotron","","0.0869","0.0636","","","0.1623","0.1783","","","","","","1.03","","","","has coordinates,has disorder","223698","2020-10-21","18:00:00",""
"7233210","9.1718","0.0003","8.9965","0.0003","21.1092","0.0008","90","","98.591","0.004","90","","1722.26","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","tenoxicam acetonitrile solvat","","","- C15 H14 N4 O4 S2 -","- C15 H14 N4 O4 S2 -","- C60 H56 N16 O16 S8 -","4","1","","Arkhipov, Sergey G.; Sherin, Peter S.; Kiryutin, Alexey S.; Lazarenko, Vladimir A.; Tantardini, Christian","The role of S-bond in tenoxicam keto‒enolic tautomerization","CrystEngComm","2019","21","36","5392","","10.1039/C9CE00874H","","x-ray","0.71073","MoKα","","0.0613","0.0434","","","0.0934","0.1011","","","","","","1.058","","","","has coordinates","223698","2020-10-21","18:00:00",""
"7233211","9.106","0.0004","9.4381","0.0004","11.6586","0.0006","74.53","0.004","77.5","0.004","85.545","0.003","942.58","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","tenoxicam dimethylformamide solvate","","","- C16 H18 N4 O5 S2 -","- C16 H18 N4 O5 S2 -","- C32 H36 N8 O10 S4 -","2","1","","Arkhipov, Sergey G.; Sherin, Peter S.; Kiryutin, Alexey S.; Lazarenko, Vladimir A.; Tantardini, Christian","The role of S-bond in tenoxicam keto‒enolic tautomerization","CrystEngComm","2019","21","36","5392","","10.1039/C9CE00874H","","x-ray","0.71073","MoKα","","0.0585","0.0427","","","0.111","0.1227","","","","","","1.04","","","","has coordinates,has disorder","223698","2020-10-21","18:00:00",""
"7233212","13.579","0.003","10.135","0.002","14.88","0.003","90","","116.58","0.03","90","","1831.4","0.8","100","1","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","tenoxicam chloroform III solvate","","","- C14 H12 Cl3 N3 O4 S2 -","- C14 H12 Cl3 N3 O4 S2 -","- C56 H48 Cl12 N12 O16 S8 -","4","1","","Arkhipov, Sergey G.; Sherin, Peter S.; Kiryutin, Alexey S.; Lazarenko, Vladimir A.; Tantardini, Christian","The role of S-bond in tenoxicam keto‒enolic tautomerization","CrystEngComm","2019","21","36","5392","","10.1039/C9CE00874H","","","0.7937","synchrotron","","0.0475","0.0424","","","0.108","0.1115","","","","","","1.056","","","","has coordinates","223698","2020-10-21","18:00:00",""
"7233213","10.6019","0.0012","12.781","0.001","28.841","0.002","90","","92.076","0.01","90","","3905.5","0.6","293","2","293","3","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","tenoxicam chloroform I solvate","","","- C28 H24 Cl6 N6 O8 S4 -","- C28 H24 Cl6 N6 O8 S4 -","- C112 H96 Cl24 N24 O32 S16 -","4","1","","Arkhipov, Sergey G.; Sherin, Peter S.; Kiryutin, Alexey S.; Lazarenko, Vladimir A.; Tantardini, Christian","The role of S-bond in tenoxicam keto‒enolic tautomerization","CrystEngComm","2019","21","36","5392","","10.1039/C9CE00874H","","","0.71073","MoKα","","0.2576","0.1163","","","0.3158","0.3957","","","","","","1.034","","","","has coordinates,has disorder","223698","2020-10-21","18:00:00",""
"7233231","12.1982","0.0009","12.6561","0.001","17.4615","0.0013","79.068","0.005","69.577","0.004","65.464","0.004","2295","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H10 N5 O9 Sc -","- C15 H10 N5 O9 Sc -","- C60 H40 N20 O36 Sc4 -","4","2","","Zhu, Ziqian; Tao, Yufang; Jiang, Yansong; Zhang, Liying; Xu, Jianing; Wang, Li; Fan, Yong","Two scandium coordination polymers: rapid synthesis and catalytic properties","CrystEngComm","2019","21","35","5261","","10.1039/C9CE00969H","","","0.71073","MoKα","","0.1226","0.0527","","","0.1202","0.1355","","","","","","0.809","","","","has coordinates","223712","2020-10-21","18:00:00",""
"7233232","8.0179","0.0005","8.1281","0.0006","10.1235","0.0008","67.896","0.004","77.329","0.005","87.356","0.004","595.89","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H5 N2 O8 Sc -","- C7 H5 N2 O8 Sc -","- C14 H10 N4 O16 Sc2 -","2","1","","Zhu, Ziqian; Tao, Yufang; Jiang, Yansong; Zhang, Liying; Xu, Jianing; Wang, Li; Fan, Yong","Two scandium coordination polymers: rapid synthesis and catalytic properties","CrystEngComm","2019","21","35","5261","","10.1039/C9CE00969H","","","0.71073","MoKα","","0.0371","0.0331","","","0.0944","0.0972","","","","","","1.072","","","","has coordinates","223712","2020-10-21","18:00:00",""
"7233233","14.5354","0.0008","6.9178","0.0004","15.7237","0.0008","90","","96.902","0.005","90","","1569.61","0.15","150","10","150","10","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H12 F2 N4 O7 -","- C15 H12 F2 N4 O7 -","- C60 H48 F8 N16 O28 -","4","0.5","","Dai, Xia-Lin; Voronin, Alexander P.; Gao, Wei; Perlovich, German L.; Lu, Tong-Bu; Chen, Jia-Mei","Intermolecular interactions and permeability of 5-fluorouracil cocrystals with a series of isomeric hydroxybenzoic acids: a combined theoretical and experimental study","CrystEngComm","2019","21","34","5095","","10.1039/C9CE00661C","","x-ray","1.54184","CuKα","","0.0763","0.0592","","","0.1594","0.1806","","","","","","0.903","","","","has coordinates,has disorder","223719","2020-10-21","18:00:00",""
"7233236","15.001","0.002","5.5536","0.0005","21.455","0.003","90","","95.23","0.002","90","","1780","0.4","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 O6 -","- C20 H20 O6 -","- C80 H80 O24 -","4","1","","Forquin, Benjamin; Berthaud, Julien; Jouaiti, Abdelaziz; Kyritskas, Nathalie; Ferlay, Sylvie; Hosseini, Mir Wais","Molecular tectonics: enantiomerically pure chiral crystals based on trans-1,2-cyclohexanediol","CrystEngComm","2019","21","34","5129","","10.1039/C9CE00807A","","","0.71073","MoKα","","0.1321","0.0562","","","0.148","0.1973","","","","","","1.014","","","","has coordinates","223717","2020-10-21","18:00:00",""
"7233237","15.6883","0.0018","11.7144","0.0012","17.777","0.0018","90","","109.199","0.003","90","","3085.3","0.6","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C30 H26 Cd N2 O6 -","- C30 H26 Cd N2 O6 -","- C120 H104 Cd4 N8 O24 -","4","1","","Forquin, Benjamin; Berthaud, Julien; Jouaiti, Abdelaziz; Kyritskas, Nathalie; Ferlay, Sylvie; Hosseini, Mir Wais","Molecular tectonics: enantiomerically pure chiral crystals based on trans-1,2-cyclohexanediol","CrystEngComm","2019","21","34","5129","","10.1039/C9CE00807A","","","0.71073","MoKα","","0.1708","0.1084","","","0.2562","0.317","","","","","","1.085","","","","has coordinates","223717","2020-10-21","18:00:00",""
"7233238","16.0435","0.0014","11.6969","0.0008","18.498","0.0015","90","","113.454","0.002","90","","3184.5","0.4","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C30 H25 Cd N2 O6 -","- C30 H25 Cd N2 O6 -","- C120 H100 Cd4 N8 O24 -","4","1","","Forquin, Benjamin; Berthaud, Julien; Jouaiti, Abdelaziz; Kyritskas, Nathalie; Ferlay, Sylvie; Hosseini, Mir Wais","Molecular tectonics: enantiomerically pure chiral crystals based on trans-1,2-cyclohexanediol","CrystEngComm","2019","21","34","5129","","10.1039/C9CE00807A","","","0.71073","MoKα","","0.0561","0.0414","","","0.075","0.0789","","","","","","1.198","","","","has coordinates","223717","2020-10-21","18:00:00",""
"7233239","14.5475","0.0006","28.4089","0.0012","6.1616","0.0003","90","","90","","90","","2546.46","0.19","173","2","173","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C26 H32 Cd N2 O7 -","- C26 H32 Cd N2 O7 -","- C104 H128 Cd4 N8 O28 -","4","1","","Forquin, Benjamin; Berthaud, Julien; Jouaiti, Abdelaziz; Kyritskas, Nathalie; Ferlay, Sylvie; Hosseini, Mir Wais","Molecular tectonics: enantiomerically pure chiral crystals based on trans-1,2-cyclohexanediol","CrystEngComm","2019","21","34","5129","","10.1039/C9CE00807A","","","0.71073","MoKα","","0.0215","0.0204","","","0.0485","0.0491","","","","","","1.094","","","","has coordinates","223717","2020-10-21","18:00:00",""
"7233240","9.2536","0.0005","7.6512","0.0003","12.6769","0.0007","90","","108.093","0.002","90","","853.16","0.07","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H20 O6 -","- C20 H20 O6 -","- C40 H40 O12 -","2","1","","Forquin, Benjamin; Berthaud, Julien; Jouaiti, Abdelaziz; Kyritskas, Nathalie; Ferlay, Sylvie; Hosseini, Mir Wais","Molecular tectonics: enantiomerically pure chiral crystals based on trans-1,2-cyclohexanediol","CrystEngComm","2019","21","34","5129","","10.1039/C9CE00807A","","","0.71073","MoKα","","0.0539","0.0451","","","0.0756","0.0773","","","","","","1.719","","","","has coordinates","223717","2020-10-21","18:00:00",""
"7233241","9.2808","0.0005","7.6511","0.0003","12.6946","0.0006","90","","108.142","0.002","90","","856.61","0.07","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H20 O6 -","- C20 H20 O6 -","- C40 H40 O12 -","2","1","","Forquin, Benjamin; Berthaud, Julien; Jouaiti, Abdelaziz; Kyritskas, Nathalie; Ferlay, Sylvie; Hosseini, Mir Wais","Molecular tectonics: enantiomerically pure chiral crystals based on trans-1,2-cyclohexanediol","CrystEngComm","2019","21","34","5129","","10.1039/C9CE00807A","","","0.71073","MoKα","","0.0448","0.0385","","","0.1128","0.1167","","","","","","1.029","","","","has coordinates","223717","2020-10-21","18:00:00",""
"7233242","14.5483","0.0005","28.4278","0.0012","6.166","0.0002","90","","90","","90","","2550.11","0.16","173","2","173","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C26 H32 Cd N2 O7 -","- C26 H32 Cd N2 O7 -","- C104 H128 Cd4 N8 O28 -","4","1","","Forquin, Benjamin; Berthaud, Julien; Jouaiti, Abdelaziz; Kyritskas, Nathalie; Ferlay, Sylvie; Hosseini, Mir Wais","Molecular tectonics: enantiomerically pure chiral crystals based on trans-1,2-cyclohexanediol","CrystEngComm","2019","21","34","5129","","10.1039/C9CE00807A","","","0.71073","MoKα","","0.0309","0.0245","","","0.0559","0.0589","","","","","","0.971","","","","has coordinates","223717","2020-10-21","18:00:00",""
"7233243","10.5096","0.0006","10.9768","0.0004","12.5019","0.0006","104.759","0.004","107.34","0.005","97.38","0.004","1298.23","0.12","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N3 O12 Tb -","- C21 H27 N3 O12 Tb -","- C42 H54 N6 O24 Tb2 -","2","1","","Gładysiak, Andrzej; Moosavi, Seyed Mohamad; Sarkisov, Lev; Smit, Berend; Stylianou, Kyriakos C.","Guest-dependent negative thermal expansion in a lanthanide-based metal‒organic framework","CrystEngComm","2019","21","35","5292","","10.1039/C9CE00941H","","x-ray","0.7142","","","0.0349","0.033","","","0.0938","0.0948","","","","","","1.1","","","","has coordinates,has disorder","223710","2020-10-21","18:00:00",""
"7233244","10.4937","0.0006","10.9559","0.0004","12.5321","0.0006","104.652","0.004","107.923","0.004","97.114","0.004","1294.06","0.12","140","","140","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N3 O12 Tb -","- C21 H27 N3 O12 Tb -","- C42 H54 N6 O24 Tb2 -","2","1","","Gładysiak, Andrzej; Moosavi, Seyed Mohamad; Sarkisov, Lev; Smit, Berend; Stylianou, Kyriakos C.","Guest-dependent negative thermal expansion in a lanthanide-based metal‒organic framework","CrystEngComm","2019","21","35","5292","","10.1039/C9CE00941H","","x-ray","0.7142","","","0.0311","0.0295","","","0.0857","0.0866","","","","","","1.07","","","","has coordinates,has disorder","223710","2020-10-21","18:00:00",""
"7233245","10.5194","0.0006","10.9889","0.0004","12.5734","0.0006","104.589","0.004","108.172","0.005","96.992","0.004","1304.34","0.12","160","","160","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N3 O12 Tb -","- C21 H27 N3 O12 Tb -","- C42 H54 N6 O24 Tb2 -","2","1","","Gładysiak, Andrzej; Moosavi, Seyed Mohamad; Sarkisov, Lev; Smit, Berend; Stylianou, Kyriakos C.","Guest-dependent negative thermal expansion in a lanthanide-based metal‒organic framework","CrystEngComm","2019","21","35","5292","","10.1039/C9CE00941H","","x-ray","0.7142","","","0.0291","0.0276","","","0.0785","0.0792","","","","","","1.051","","","","has coordinates,has disorder","223710","2020-10-21","18:00:00",""
"7233246","10.5156","0.0006","10.9858","0.0004","12.529","0.0006","104.707","0.004","107.578","0.005","97.265","0.004","1301.8","0.12","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N3 O12 Tb -","- C21 H27 N3 O12 Tb -","- C42 H54 N6 O24 Tb2 -","2","1","","Gładysiak, Andrzej; Moosavi, Seyed Mohamad; Sarkisov, Lev; Smit, Berend; Stylianou, Kyriakos C.","Guest-dependent negative thermal expansion in a lanthanide-based metal‒organic framework","CrystEngComm","2019","21","35","5292","","10.1039/C9CE00941H","","x-ray","0.7142","","","0.0327","0.0309","","","0.0886","0.0896","","","","","","1.11","","","","has coordinates,has disorder","223710","2020-10-21","18:00:00",""
"7233247","10.5121","0.0006","10.9835","0.0005","12.6782","0.0005","104.175","0.004","109.639","0.004","96.452","0.004","1305.96","0.12","240","","240","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N3 O12 Tb -","- C21 H27 N3 O12 Tb -","- C42 H54 N6 O24 Tb2 -","2","1","","Gładysiak, Andrzej; Moosavi, Seyed Mohamad; Sarkisov, Lev; Smit, Berend; Stylianou, Kyriakos C.","Guest-dependent negative thermal expansion in a lanthanide-based metal‒organic framework","CrystEngComm","2019","21","35","5292","","10.1039/C9CE00941H","","x-ray","0.7142","","","0.028","0.0267","","","0.0735","0.0743","","","","","","1.07","","","","has coordinates,has disorder","223710","2020-10-21","18:00:00",""
"7233248","10.519","0.0006","10.9933","0.0005","12.6565","0.0005","104.317","0.004","109.262","0.004","96.536","0.004","1307.83","0.12","220","","220","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N3 O12 Tb -","- C21 H27 N3 O12 Tb -","- C42 H54 N6 O24 Tb2 -","2","1","","Gładysiak, Andrzej; Moosavi, Seyed Mohamad; Sarkisov, Lev; Smit, Berend; Stylianou, Kyriakos C.","Guest-dependent negative thermal expansion in a lanthanide-based metal‒organic framework","CrystEngComm","2019","21","35","5292","","10.1039/C9CE00941H","","x-ray","0.7142","","","0.0325","0.0313","","","0.0836","0.0846","","","","","","1.048","","","","has coordinates,has disorder","223710","2020-10-21","18:00:00",""
"7233249","10.5964","0.001","11.0355","0.0007","12.9523","0.0013","102.131","0.007","112.002","0.009","97.133","0.006","1338.1","0.2","340","","340","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N3 O12 Tb -","- C21 H27 N3 O12 Tb -","- C42 H54 N6 O24 Tb2 -","2","1","","Gładysiak, Andrzej; Moosavi, Seyed Mohamad; Sarkisov, Lev; Smit, Berend; Stylianou, Kyriakos C.","Guest-dependent negative thermal expansion in a lanthanide-based metal‒organic framework","CrystEngComm","2019","21","35","5292","","10.1039/C9CE00941H","","x-ray","0.7142","","","0.045","0.0416","","","0.111","0.1132","","","","","","1.061","","","","has coordinates,has disorder","223710","2020-10-21","18:00:00",""
"7233250","10.5333","0.0006","11.0035","0.0005","12.7511","0.0005","103.784","0.005","110.271","0.004","96.437","0.004","1315.34","0.12","280","","280","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N3 O12 Tb -","- C21 H27 N3 O12 Tb -","- C42 H54 N6 O24 Tb2 -","2","1","","Gładysiak, Andrzej; Moosavi, Seyed Mohamad; Sarkisov, Lev; Smit, Berend; Stylianou, Kyriakos C.","Guest-dependent negative thermal expansion in a lanthanide-based metal‒organic framework","CrystEngComm","2019","21","35","5292","","10.1039/C9CE00941H","","x-ray","0.7142","","","0.0272","0.0259","","","0.0693","0.0698","","","","","","1.076","","","","has coordinates,has disorder","223710","2020-10-21","18:00:00",""
"7233251","10.5256","0.0006","10.9947","0.0005","12.6032","0.0006","104.523","0.004","108.54","0.005","96.829","0.004","1306.91","0.13","180","","180","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N3 O12 Tb -","- C21 H27 N3 O12 Tb -","- C42 H54 N6 O24 Tb2 -","2","1","","Gładysiak, Andrzej; Moosavi, Seyed Mohamad; Sarkisov, Lev; Smit, Berend; Stylianou, Kyriakos C.","Guest-dependent negative thermal expansion in a lanthanide-based metal‒organic framework","CrystEngComm","2019","21","35","5292","","10.1039/C9CE00941H","","x-ray","0.7142","","","0.0444","0.043","","","0.1147","0.116","","","","","","0.999","","","","has coordinates,has disorder","223710","2020-10-21","18:00:00",""
"7233252","10.5371","0.0006","11.0161","0.0005","12.7345","0.0005","104.005","0.005","109.918","0.004","96.448","0.004","1317.37","0.12","260","","260","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N3 O12 Tb -","- C21 H27 N3 O12 Tb -","- C42 H54 N6 O24 Tb2 -","2","1","","Gładysiak, Andrzej; Moosavi, Seyed Mohamad; Sarkisov, Lev; Smit, Berend; Stylianou, Kyriakos C.","Guest-dependent negative thermal expansion in a lanthanide-based metal‒organic framework","CrystEngComm","2019","21","35","5292","","10.1039/C9CE00941H","","x-ray","0.7142","","","0.0262","0.0249","","","0.07","0.0706","","","","","","1.081","","","","has coordinates,has disorder","223710","2020-10-21","18:00:00",""
"7233253","10.5213","0.0005","10.9954","0.0005","12.6323","0.0005","104.438","0.004","108.872","0.004","96.664","0.004","1307.93","0.11","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N3 O12 Tb -","- C21 H27 N3 O12 Tb -","- C42 H54 N6 O24 Tb2 -","2","1","","Gładysiak, Andrzej; Moosavi, Seyed Mohamad; Sarkisov, Lev; Smit, Berend; Stylianou, Kyriakos C.","Guest-dependent negative thermal expansion in a lanthanide-based metal‒organic framework","CrystEngComm","2019","21","35","5292","","10.1039/C9CE00941H","","x-ray","0.7142","","","0.03","0.0288","","","0.0784","0.0792","","","","","","1.074","","","","has coordinates,has disorder","223710","2020-10-21","18:00:00",""
"7233254","10.5861","0.0008","11.0497","0.0006","12.8741","0.001","103.021","0.006","111.135","0.007","96.698","0.005","1335.67","0.19","320","","320","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N3 O12 Tb -","- C21 H27 N3 O12 Tb -","- C42 H54 N6 O24 Tb2 -","2","1","","Gładysiak, Andrzej; Moosavi, Seyed Mohamad; Sarkisov, Lev; Smit, Berend; Stylianou, Kyriakos C.","Guest-dependent negative thermal expansion in a lanthanide-based metal‒organic framework","CrystEngComm","2019","21","35","5292","","10.1039/C9CE00941H","","x-ray","0.7142","","","0.0346","0.0324","","","0.0922","0.0937","","","","","","1.074","","","","has coordinates,has disorder","223710","2020-10-21","18:00:00",""
"7233255","10.5445","0.0007","11.0141","0.0006","12.786","0.0008","103.484","0.005","110.657","0.006","96.519","0.005","1319.52","0.16","300","","300","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N3 O12 Tb -","- C21 H27 N3 O12 Tb -","- C42 H54 N6 O24 Tb2 -","2","1","","Gładysiak, Andrzej; Moosavi, Seyed Mohamad; Sarkisov, Lev; Smit, Berend; Stylianou, Kyriakos C.","Guest-dependent negative thermal expansion in a lanthanide-based metal‒organic framework","CrystEngComm","2019","21","35","5292","","10.1039/C9CE00941H","","x-ray","0.7142","","","0.0303","0.0285","","","0.0774","0.0784","","","","","","1.084","","","","has coordinates,has disorder","223710","2020-10-21","18:00:00",""
"7233256","10.6786","0.0015","11.0643","0.0014","13.078","0.003","98.788","0.014","113.593","0.018","99.692","0.011","1353.7","0.5","380","","380","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 N2 O11 Tb -","- C18 H20 N2 O11 Tb -","- C36 H40 N4 O22 Tb2 -","2","1","","Gładysiak, Andrzej; Moosavi, Seyed Mohamad; Sarkisov, Lev; Smit, Berend; Stylianou, Kyriakos C.","Guest-dependent negative thermal expansion in a lanthanide-based metal‒organic framework","CrystEngComm","2019","21","35","5292","","10.1039/C9CE00941H","","x-ray","0.7142","synchrotron","","0.1373","0.1222","","","0.2995","0.315","","","","","","1.189","","","","has coordinates,has disorder","223710","2020-10-21","18:00:00",""
"7233257","10.661","0.0013","11.0866","0.0011","13.1016","0.0015","100.439","0.01","112.923","0.012","98.339","0.009","1362.3","0.3","360","","360","","","","","","","","","5","P -1","-P 1","2","","","","- C19.01 H22.36 N2.34 O11.34 Tb -","- C18 H20 N2 O11 Tb -","- C36 H40 N4 O22 Tb2 -","2","1","","Gładysiak, Andrzej; Moosavi, Seyed Mohamad; Sarkisov, Lev; Smit, Berend; Stylianou, Kyriakos C.","Guest-dependent negative thermal expansion in a lanthanide-based metal‒organic framework","CrystEngComm","2019","21","35","5292","","10.1039/C9CE00941H","","x-ray","0.7142","synchrotron","","0.113","0.0996","","","0.2571","0.2788","","","","","","1.101","","","","has coordinates,has disorder","223710","2020-10-21","18:00:00",""
"7233260","6.206","0.005","7.228","0.005","11.882","0.005","93.919","0.005","98.389","0.005","108.883","0.005","495.1","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H22 N12 O8 P0 S2 -","- C8 H20 N12 O8 S2 -","- C8 H20 N12 O8 S2 -","1","0.5","","Wei, Mei-Jie; Gao, Ying; Li, Ke; Li, Bo; Fu, Jia-Qi; Zang, Hong-Ying; Shao, Kui-Zhan; Su, Zhong-Min","Supramolecular hydrogen-bonded organic networks through acid–base pairs as efficient proton-conducting electrolytes","CrystEngComm","2019","21","33","4996","","10.1039/C9CE00762H","","","0.71069","MoKα","","0.0578","0.0471","","","0.1399","0.1483","","","","","","1.068","","","","has coordinates","288504","2023-12-22","13:56:47",""
"7233261","5.688","0.005","8.922","0.005","11.235","0.005","90","0.005","91.065","0.005","90","0.005","570.1","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H16 N2 O6 S2 -","- C6 H14 N2 O6 S2 -","- C12 H28 N4 O12 S4 -","2","0.5","","Wei, Mei-Jie; Gao, Ying; Li, Ke; Li, Bo; Fu, Jia-Qi; Zang, Hong-Ying; Shao, Kui-Zhan; Su, Zhong-Min","Supramolecular hydrogen-bonded organic networks through acid‒base pairs as efficient proton-conducting electrolytes","CrystEngComm","2019","21","33","4996","","10.1039/C9CE00762H","","","0.71069","MoKα","","0.0555","0.0473","","","0.1234","0.1301","","","","","","1.147","","","","has coordinates","223532","2020-10-21","18:00:00",""
"7233262","9.8904","0.0002","22.5488","0.0005","20.4885","0.0004","90","","95.634","0.007","90","","4547.2","0.17","90","2","89.95","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Di(aqua)Pentakis(N,N-dimethylacetamide)erbium(III)octacyanidotungstate(V) N,N-dimethylacetamide and aqua solvated","","- C32 H60 Er N14 O9 W -","- C32 H60 Er N14 O9 W -","- C128 H240 Er4 N56 O36 W4 -","4","1","","Kumar, Kunal; Stefanczyk, Olaf; Nakabayashi, Koji; Imoto, Kenta; Ohkoshi, Shin-ichi","Studies of Er(iii)‒W(v) compounds showing nonlinear optical activity and single-molecule magnetic properties","CrystEngComm","2019","21","39","5882","","10.1039/C9CE00822E","","","0.71075","MoKα","","0.0764","0.0529","","","0.0975","0.105","","","","","","1.069","","","","has coordinates","223568","2020-10-21","18:00:00",""
"7233263","9.614","0.0008","18.1609","0.0012","25.5697","0.0018","90","","98.033","0.007","90","","4420.6","0.6","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tris(aqua)Tetrakis(N,N-dimethylacetamide)erbium(III)octacyanidotungstate(V) N,N-dimethylacetamide and aqua solvated","","- C28 H51.5 Er N13 O11 W -","- C28 H51.5 Er N13 O11 W -","- C112 H206 Er4 N52 O44 W4 -","4","1","","Kumar, Kunal; Stefanczyk, Olaf; Nakabayashi, Koji; Imoto, Kenta; Ohkoshi, Shin-ichi","Studies of Er(iii)‒W(v) compounds showing nonlinear optical activity and single-molecule magnetic properties","CrystEngComm","2019","21","39","5882","","10.1039/C9CE00822E","","","0.71075","MoKα","","0.0924","0.0498","","","0.0899","0.1013","","","","","","1.002","","","","has coordinates,has disorder","223568","2020-10-21","18:00:00",""
"7233264","9.7633","0.0004","19.5696","0.0008","10.411","0.0005","90","","109.168","0.008","90","","1878.89","0.17","90","2","89.95","","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","Pentakis(N,N-dimethylacetamide)erbium(III)octacyanidotungstate(V)","","- C28 H45 Er N13 O5 W -","- C28 H45 Er N13 O5 W -","- C56 H90 Er2 N26 O10 W2 -","2","1","","Kumar, Kunal; Stefanczyk, Olaf; Nakabayashi, Koji; Imoto, Kenta; Ohkoshi, Shin-ichi","Studies of Er(iii)‒W(v) compounds showing nonlinear optical activity and single-molecule magnetic properties","CrystEngComm","2019","21","39","5882","","10.1039/C9CE00822E","","","0.71075","MoKα","","0.037","0.0338","","","0.0529","0.0536","","","","","","1.101","","","","has coordinates,has disorder","223568","2020-10-21","18:00:00",""
"7233265","6.9129","0.0009","7.248","0.0009","14.7369","0.0019","76.471","0.005","81.089","0.005","64.077","0.005","644.49","0.15","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H14 Cl4 F4 N4 O2 -","- C24 H14 Cl4 F4 N4 O2 -","- C24 H14 Cl4 F4 N4 O2 -","1","0.5","","Shikhaliyev, Namiq Q.; Kuznetsov, Maxim L.; Maharramov, Abel M.; Gurbanov, Atash V.; Ahmadova, Nigar E.; Nenajdenko, Valentine G.; Mahmudov, Kamran T.; Pombeiro, Armando J. L.","Noncovalent interactions in the design of bis-azo dyes","CrystEngComm","2019","21","34","5032","","10.1039/C9CE00956F","","","0.71073","MoKα","","0.0703","0.0418","","","0.0966","0.1113","","","","","","1.007","","","","has coordinates","223714","2020-10-21","18:00:00",""
"7233266","5.9287","0.0004","7.2856","0.0005","14.804","0.0009","97.067","0.002","95.028","0.002","112.098","0.002","581.7","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H8 Cl4 F6 N4 -","- C22 H8 Cl4 F6 N4 -","- C22 H8 Cl4 F6 N4 -","1","0.5","","Shikhaliyev, Namiq Q.; Kuznetsov, Maxim L.; Maharramov, Abel M.; Gurbanov, Atash V.; Ahmadova, Nigar E.; Nenajdenko, Valentine G.; Mahmudov, Kamran T.; Pombeiro, Armando J. L.","Noncovalent interactions in the design of bis-azo dyes","CrystEngComm","2019","21","34","5032","","10.1039/C9CE00956F","","","0.71073","MoKα","","0.0409","0.0324","","","0.0766","0.0811","","","","","","1.034","","","","has coordinates","223714","2020-10-21","18:00:00",""
"7233267","12.2519","0.0004","7.2378","0.0003","13.8051","0.0005","90","","112.02","0.001","90","","1134.89","0.07","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H10 Cl4 F4 N4 -","- C22 H10 Cl4 F4 N4 -","- C44 H20 Cl8 F8 N8 -","2","0.5","","Shikhaliyev, Namiq Q.; Kuznetsov, Maxim L.; Maharramov, Abel M.; Gurbanov, Atash V.; Ahmadova, Nigar E.; Nenajdenko, Valentine G.; Mahmudov, Kamran T.; Pombeiro, Armando J. L.","Noncovalent interactions in the design of bis-azo dyes","CrystEngComm","2019","21","34","5032","","10.1039/C9CE00956F","","","0.71073","MoKα","","0.0356","0.031","","","0.0875","0.0922","","","","","","1.064","","","","has coordinates","223714","2020-10-21","18:00:00",""
"7233268","5.9278","0.0009","7.2851","0.0011","15.889","0.003","97.953","0.005","97.431","0.005","111.124","0.004","621.86","0.18","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H14 Cl4 F4 N4 -","- C24 H14 Cl4 F4 N4 -","- C24 H14 Cl4 F4 N4 -","1","0.5","","Shikhaliyev, Namiq Q.; Kuznetsov, Maxim L.; Maharramov, Abel M.; Gurbanov, Atash V.; Ahmadova, Nigar E.; Nenajdenko, Valentine G.; Mahmudov, Kamran T.; Pombeiro, Armando J. L.","Noncovalent interactions in the design of bis-azo dyes","CrystEngComm","2019","21","34","5032","","10.1039/C9CE00956F","","","0.71073","MoKα","","0.0638","0.039","","","0.0812","0.0903","","","","","","1.007","","","","has coordinates","223714","2020-10-21","18:00:00",""
"7233269","9.4437","0.0018","12.112","0.002","12.277","0.002","89.884","0.006","79.464","0.007","68.789","0.006","1283.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H23 N2 O6 Zn -","- C29 H23 N2 O6 Zn -","- C58 H46 N4 O12 Zn2 -","2","1","","Long, Bing-Fan; Wang, Meng-Fan; Huang, Qin; Yin, Xian-Hong; Young, David James; Hu, Fei-Long; Mi, Yan","A pillar-layer strategy to construct 2D polycatenated coordination polymers for luminescence detection of Cr2O72− and CrO42− in aqueous solution","CrystEngComm","2019","21","33","4943","","10.1039/C9CE00825J","","","0.71073","MoKα","","0.0415","0.0307","","","0.0756","0.0796","","","","","","1.013","","","","has coordinates","223528","2020-10-21","18:00:00",""
"7233270","9.2538","0.0019","12.411","0.003","12.462","0.003","90.28","0.007","100.334","0.007","110.73","0.006","1313.2","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H23 N2 O6 Zn -","- C29 H23 N2 O6 Zn -","- C58 H46 N4 O12 Zn2 -","2","1","","Long, Bing-Fan; Wang, Meng-Fan; Huang, Qin; Yin, Xian-Hong; Young, David James; Hu, Fei-Long; Mi, Yan","A pillar-layer strategy to construct 2D polycatenated coordination polymers for luminescence detection of Cr2O72− and CrO42− in aqueous solution","CrystEngComm","2019","21","33","4943","","10.1039/C9CE00825J","","","0.71073","MoKα","","0.0545","0.0433","","","0.1049","0.1131","","","","","","1.043","","","","has coordinates,has disorder","223528","2020-10-21","18:00:00",""
"7233271","12.6345","0.0012","12.9723","0.0014","16.388","0.0017","75.775","0.003","85.999","0.003","75.114","0.002","2516.2","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C57 H46 N2 O12 Zn2 -","- C57 H46 N2 O12 Zn2 -","- C114 H92 N4 O24 Zn4 -","2","1","","Long, Bing-Fan; Wang, Meng-Fan; Huang, Qin; Yin, Xian-Hong; Young, David James; Hu, Fei-Long; Mi, Yan","A pillar-layer strategy to construct 2D polycatenated coordination polymers for luminescence detection of Cr2O72− and CrO42− in aqueous solution","CrystEngComm","2019","21","33","4943","","10.1039/C9CE00825J","","","0.71073","MoKα","","0.0943","0.0553","","","0.1193","0.1346","","","","","","1.019","","","","has coordinates","223528","2020-10-21","18:00:00",""
"7233272","12.9","0.009","17.379","0.012","19.453","0.013","107.447","0.009","107.199","0.01","98.981","0.009","3828","5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H48 N2 O12 Zn2 -","- C64 H48 N2 O12 Zn2 -","- C128 H96 N4 O24 Zn4 -","2","1","","Long, Bing-Fan; Wang, Meng-Fan; Huang, Qin; Yin, Xian-Hong; Young, David James; Hu, Fei-Long; Mi, Yan","A pillar-layer strategy to construct 2D polycatenated coordination polymers for luminescence detection of Cr2O72− and CrO42− in aqueous solution","CrystEngComm","2019","21","33","4943","","10.1039/C9CE00825J","","","0.71073","MoKα","","0.1206","0.0587","","","0.1614","0.2","","","","","","0.879","","","","has coordinates","223528","2020-10-21","18:00:00",""
"7233273","8.831","0.002","12.567","0.003","13.429","0.003","94.747","0.008","100.867","0.008","109.277","0.007","1364.5","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H22.5 N2.5 O6 Zn -","- C29 H22.5 N2.5 O6 Zn -","- C58 H45 N5 O12 Zn2 -","2","1","","Long, Bing-Fan; Wang, Meng-Fan; Huang, Qin; Yin, Xian-Hong; Young, David James; Hu, Fei-Long; Mi, Yan","A pillar-layer strategy to construct 2D polycatenated coordination polymers for luminescence detection of Cr2O72− and CrO42− in aqueous solution","CrystEngComm","2019","21","33","4943","","10.1039/C9CE00825J","","","0.71073","MoKα","","0.086","0.0514","","","0.1289","0.1484","","","","","","1.019","","","","has coordinates","223528","2020-10-21","18:00:00",""
"7233274","9.0045","0.001","12.3297","0.0015","12.9229","0.0014","93.075","0.004","108.765","0.003","99.295","0.004","1332","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H23.5 N1.5 O6 Zn -","- C31 H23.5 N1.5 O6 Zn -","- C62 H47 N3 O12 Zn2 -","2","1","","Long, Bing-Fan; Wang, Meng-Fan; Huang, Qin; Yin, Xian-Hong; Young, David James; Hu, Fei-Long; Mi, Yan","A pillar-layer strategy to construct 2D polycatenated coordination polymers for luminescence detection of Cr2O72− and CrO42− in aqueous solution","CrystEngComm","2019","21","33","4943","","10.1039/C9CE00825J","","","0.71073","MoKα","","0.0521","0.0409","","","0.1094","0.1166","","","","","","1.077","","","","has coordinates","223528","2020-10-21","18:00:00",""
"7233275","17.3785","0.0005","15.1256","0.0004","22.8088","0.0006","90","","90","","90","","5995.5","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H33 Cu2 N5 O13 -","- C24 H33 Cu2 N5 O13 -","- C192 H264 Cu16 N40 O104 -","8","1","","Iman, Khushboo; Shahid, M.; Khan, M. Shahnawaz; Ahmad, Musheer; Sama, Farasha","Topology, magnetism and dye adsorption properties of metal organic frameworks (MOFs) synthesized from bench chemicals","CrystEngComm","2019","21","35","5299","","10.1039/C9CE01041F","","","0.71073","MoKα","","0.0572","0.0373","","","0.0922","0.1117","","","","","","1.116","","","","has coordinates,has disorder","223704","2020-10-21","18:00:00",""
"7233276","7.4296","0.0002","8.7967","0.0003","10.0511","0.0003","105.965","0.001","95.073","0.001","109.261","0.001","584.48","0.03","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H20 Cl2 Co N4 O10 -","- C20 H20 Cl2 Co N4 O10 -","- C20 H20 Cl2 Co N4 O10 -","1","0.5","","Iman, Khushboo; Shahid, M.; Khan, M. Shahnawaz; Ahmad, Musheer; Sama, Farasha","Topology, magnetism and dye adsorption properties of metal organic frameworks (MOFs) synthesized from bench chemicals","CrystEngComm","2019","21","35","5299","","10.1039/C9CE01041F","","","0.71073","MoKα","","0.0315","0.0275","","","0.0646","0.0672","","","","","","1.0715","","","","has coordinates","223704","2020-10-21","18:00:00",""
"7233278","10.186","0.002","7.5771","0.0015","38.191","0.008","90","","90","","90","","2947.6","1","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H40 N4 O4 -","- C34 H40 N4 O4 -","- C136 H160 N16 O16 -","4","0.5","","Wang, Xinyi; Xu, Shijie; Jia, Lina; Yang, Yujia; Liu, Yu; Gong, Junbo; Wu, Songgu","Drug‒drug salts of mefenamic acidτolfenamic acid and piperazine to improve physicochemical properties for potential veterinary use","CrystEngComm","2019","21","35","5284","","10.1039/C9CE00781D","","","0.71073","MoKα","","0.0691","0.0583","","","0.1389","0.1464","","","","","","1.083","","","","has coordinates","223711","2020-10-21","18:00:00",""
"7233279","7.536","0.0015","8.1498","0.0016","28.44","0.006","90","","94.9","0.03","90","","1740.3","0.6","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 N3 O2 -","- C19 H25 N3 O2 -","- C76 H100 N12 O8 -","4","1","","Wang, Xinyi; Xu, Shijie; Jia, Lina; Yang, Yujia; Liu, Yu; Gong, Junbo; Wu, Songgu","Drug‒drug salts of mefenamic acidτolfenamic acid and piperazine to improve physicochemical properties for potential veterinary use","CrystEngComm","2019","21","35","5284","","10.1039/C9CE00781D","","","0.71073","MoKα","","0.0732","0.0604","","","0.1486","0.16","","","","","","1.043","","","","has coordinates","223711","2020-10-21","18:00:00",""
"7233280","10.827","0.002","7.5021","0.0015","21.322","0.004","90","","97.39","0.03","90","","1717.5","0.6","113","2","113.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 Cl N3 O2 -","- C18 H22 Cl N3 O2 -","- C72 H88 Cl4 N12 O8 -","4","1","","Wang, Xinyi; Xu, Shijie; Jia, Lina; Yang, Yujia; Liu, Yu; Gong, Junbo; Wu, Songgu","Drug‒drug salts of mefenamic acidτolfenamic acid and piperazine to improve physicochemical properties for potential veterinary use","CrystEngComm","2019","21","35","5284","","10.1039/C9CE00781D","","","0.71073","MoKα","","0.044","0.0372","","","0.0945","0.0991","","","","","","1.06","","","","has coordinates","223711","2020-10-21","18:00:00",""
"7233281","10.303","0.002","7.6173","0.0015","38.517","0.008","90","","90","","90","","3022.9","1","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H34 Cl2 N4 O4 -","- C32 H34 Cl2 N4 O4 -","- C128 H136 Cl8 N16 O16 -","4","0.5","","Wang, Xinyi; Xu, Shijie; Jia, Lina; Yang, Yujia; Liu, Yu; Gong, Junbo; Wu, Songgu","Drug‒drug salts of mefenamic acidτolfenamic acid and piperazine to improve physicochemical properties for potential veterinary use","CrystEngComm","2019","21","35","5284","","10.1039/C9CE00781D","","","0.71073","MoKα","","0.0771","0.0634","","","0.1529","0.1634","","","","","","1.089","","","","has coordinates","223711","2020-10-21","18:00:00",""
"7233294","7.7164","0.0007","9.6706","0.0009","11.0779","0.0011","68.296","0.001","83.965","0.003","85.654","0.003","763.19","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H14 N2 O8 Zn -","- C14 H14 N2 O8 Zn -","- C28 H28 N4 O16 Zn2 -","2","1","","Zhou, Ai-Mei; Wei, Han; Gao, Wei; Liu, Jie-Ping; Zhang, Xiu-Mei","Two 2D multiresponsive luminescence coordination polymers for selective sensing of Fe3+, CrVI anions and TNP in aqueous medium","CrystEngComm","2019","21","34","5185","","10.1039/C9CE01045A","","","1.54178","CuKα","","0.0873","0.0576","","","0.1233","0.1446","","","","","","1.007","","","","has coordinates","223718","2020-10-21","18:00:00",""
"7233295","7.464","0.0007","10.1801","0.0009","13.3769","0.0011","70.626","0.001","77.55","0.003","74.234","0.001","913.95","0.14","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H20 Cd N2 O11 -","- C14 H20 Cd N2 O11 -","- C28 H40 Cd2 N4 O22 -","2","1","","Zhou, Ai-Mei; Wei, Han; Gao, Wei; Liu, Jie-Ping; Zhang, Xiu-Mei","Two 2D multiresponsive luminescence coordination polymers for selective sensing of Fe3+, CrVI anions and TNP in aqueous medium","CrystEngComm","2019","21","34","5185","","10.1039/C9CE01045A","","","0.71073","MoKα","","0.1405","0.1106","","","0.2684","0.2841","","","","","","1.088","","","","has coordinates","223718","2020-10-21","18:00:00",""
"7233296","17.903","0.003","16.7851","0.0016","21.149","0.002","90","","96.467","0.004","90","","6314.9","1.4","110","2","110","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C49 H25 Gd N4 O10 Zn -","- C49 H25 Gd N4 O10 Zn -","- C196 H100 Gd4 N16 O40 Zn4 -","4","1","","Tripuramallu, Bharat Kumar; Titi, Hatem M.; Goswami, Soumyabrata; Phukan, Nithi","Location controlled symmetry reduction: paradigm of an open metalloporphyrin framework based on the tetracarboxy porphyrin linker","CrystEngComm","2019","21","35","5216","","10.1039/C9CE01107B","","","0.71073","MoKα","","0.1528","0.0892","","","0.2385","0.2851","","","","","","1.061","","","","has coordinates","223702","2020-10-21","18:00:00",""
"7233297","12.4174","0.0002","18.7937","0.0004","18.6491","0.0004","90","","90.148","0.003","90","","4352.11","0.15","295","2","295","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C92 H96 N24 -","- C92 H96 N24 -","- C184 H192 N48 -","2","1","","Ershov, Oleg V.; Chunikhin, Sergey S.; Ievlev, Mikhail Yu.; Belikov, Mikhail Yu.; Tafeenko, Viktor A.","Crystallographic characterization of ethylammonium salts of tetracyanopyridine (TCPy) and fluorescence determination of the degree of substitution of the amino nitrogen atom thereof","CrystEngComm","2019","21","36","5500","","10.1039/C9CE01089K","","","1.54186","CuKα","","0.0945","0.0634","","","0.1875","0.2027","","","","","","0.963","","","","has coordinates","223697","2020-10-21","18:00:00",""
"7233298","7.85","0.01","16.3","0.01","27.56","0.01","90","","91.9","0.01","90","","3525","5","293","2","295","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C38 H32 N12 -","- C38 H32 N12 -","- C152 H128 N48 -","4","1","","Ershov, Oleg V.; Chunikhin, Sergey S.; Ievlev, Mikhail Yu.; Belikov, Mikhail Yu.; Tafeenko, Viktor A.","Crystallographic characterization of ethylammonium salts of tetracyanopyridine (TCPy) and fluorescence determination of the degree of substitution of the amino nitrogen atom thereof","CrystEngComm","2019","21","36","5500","","10.1039/C9CE01089K","","","1.54186","CuKα","","0.3751","0.0714","","","0.1424","0.2477","","","","","","0.624","","","","has coordinates","223697","2020-10-21","18:00:00",""
"7233299","6.1192","0.0006","17.6034","0.0005","18.3391","0.0006","90","","90","","90","","1975.5","0.2","293","2","295","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H16 N6 -","- C21 H16 N6 -","- C84 H64 N24 -","4","1","","Ershov, Oleg V.; Chunikhin, Sergey S.; Ievlev, Mikhail Yu.; Belikov, Mikhail Yu.; Tafeenko, Viktor A.","Crystallographic characterization of ethylammonium salts of tetracyanopyridine (TCPy) and fluorescence determination of the degree of substitution of the amino nitrogen atom thereof","CrystEngComm","2019","21","36","5500","","10.1039/C9CE01089K","","","1.54186","CuKα","","0.1358","0.0781","","","0.2019","0.2643","","","","","","1.028","","","","has coordinates","223697","2020-10-21","18:00:00",""
"7233300","7.8491","0.0003","18.6184","0.0005","15.9194","0.0005","90","","99.823","0.003","90","","2292.32","0.13","295","2","295","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H28 N6 -","- C25 H28 N6 -","- C100 H112 N24 -","4","1","","Ershov, Oleg V.; Chunikhin, Sergey S.; Ievlev, Mikhail Yu.; Belikov, Mikhail Yu.; Tafeenko, Viktor A.","Crystallographic characterization of ethylammonium salts of tetracyanopyridine (TCPy) and fluorescence determination of the degree of substitution of the amino nitrogen atom thereof","CrystEngComm","2019","21","36","5500","","10.1039/C9CE01089K","","","1.54186","CuKα","","0.1314","0.094","","","0.2666","0.2969","","","","","","1.085","","","","has coordinates,has disorder","223697","2020-10-21","18:00:00",""
"7233301","5.2981","0.0003","11.751","0.0006","13.3334","0.0006","90","","90","","90","","830.11","0.07","150","2","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H8 N2 -","- C11 H8 N2 -","- C44 H32 N8 -","4","1","","Weekes, Rohan J.; Hawes, Chris S.","Synthesis, coordination chemistry and photophysical properties of naphtho-fused pyrazole ligands","CrystEngComm","2019","21","34","5152","","10.1039/C9CE01074B","","","0.71073","MoKα","","0.0686","0.0457","","","0.0928","0.1023","","","","","","1.072","","","","has coordinates","223716","2020-10-21","18:00:00",""
"7233302","8.0209","0.0003","21.4464","0.0006","11.1543","0.0003","90","","98.181","0.001","90","","1899.23","0.1","150","2","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H32 Cu N10 O6 -","- C44 H32 Cu N10 O6 -","- C88 H64 Cu2 N20 O12 -","2","0.5","","Weekes, Rohan J.; Hawes, Chris S.","Synthesis, coordination chemistry and photophysical properties of naphtho-fused pyrazole ligands","CrystEngComm","2019","21","34","5152","","10.1039/C9CE01074B","","","0.71073","MoKα","","0.0627","0.0447","","","0.0932","0.0995","","","","","","1.075","","","","has coordinates","223716","2020-10-21","18:00:00",""
"7233303","8.7934","0.0011","14.5059","0.0017","12.1149","0.0014","90","","105.893","0.004","90","","1486.3","0.3","150","2","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H11 Cl2 N3 Zn -","- C16 H11 Cl2 N3 Zn -","- C64 H44 Cl8 N12 Zn4 -","4","1","","Weekes, Rohan J.; Hawes, Chris S.","Synthesis, coordination chemistry and photophysical properties of naphtho-fused pyrazole ligands","CrystEngComm","2019","21","34","5152","","10.1039/C9CE01074B","","","0.71073","MoKα","","0.08","0.0476","","","0.1018","0.1149","","","","","","1.032","","","","has coordinates","223716","2020-10-21","18:00:00",""
"7233304","11.9823","0.0004","13.3952","0.0005","21.6046","0.0008","90","","92.769","0.001","90","","3463.6","0.2","150","2","149.99","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 N3 -","- C16 H11 N3 -","- C192 H132 N36 -","12","3","","Weekes, Rohan J.; Hawes, Chris S.","Synthesis, coordination chemistry and photophysical properties of naphtho-fused pyrazole ligands","CrystEngComm","2019","21","34","5152","","10.1039/C9CE01074B","","","0.71073","MoKα","","0.098","0.0533","","","0.1178","0.141","","","","","","1.024","","","","has coordinates","223716","2020-10-21","18:00:00",""
"7233305","7.8817","0.0004","8.3565","0.0004","13.6764","0.0007","84.043","0.002","89.244","0.002","63.942","0.001","804.31","0.07","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H11 Cu N5 O6 -","- C16 H11 Cu N5 O6 -","- C32 H22 Cu2 N10 O12 -","2","1","","Weekes, Rohan J.; Hawes, Chris S.","Synthesis, coordination chemistry and photophysical properties of naphtho-fused pyrazole ligands","CrystEngComm","2019","21","34","5152","","10.1039/C9CE01074B","","","0.71073","MoKα","","0.0378","0.0285","","","0.0631","0.0666","","","","","","1.055","","","","has coordinates","223716","2020-10-21","18:00:00",""
"7233306","27.835","0.004","5.1802","0.0007","6.7211","0.0009","90","","95.439","0.003","90","","964.8","0.2","150","2","150.01","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C22 H16 Cl2 N4 Zn -","- C22 H16 Cl2 N4 Zn -","- C44 H32 Cl4 N8 Zn2 -","2","0.5","","Weekes, Rohan J.; Hawes, Chris S.","Synthesis, coordination chemistry and photophysical properties of naphtho-fused pyrazole ligands","CrystEngComm","2019","21","34","5152","","10.1039/C9CE01074B","","","0.71073","MoKα","","0.0382","0.0317","","","0.0632","0.0654","","","","","","0.96","","","","has coordinates","223716","2020-10-21","18:00:00",""
"7233307","17.49","0.0003","21.7156","0.0003","16.5786","0.0003","90","","90","","90","","6296.65","0.18","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C31 H24 In N O7 -","- C31 H24 In N O7 -","- C248 H192 In8 N8 O56 -","8","1","","Du, Yujing; Zhong, Li; Hu, Yue; Li, Qipeng; Qian, Jinjie","Doubly interpenetrated indium-tricarboxylate frameworks mediated by small molecules with enhanced porosity","CrystEngComm","2019","21","34","5045","","10.1039/C9CE01076A","","","1.54184","CuKα","","0.0672","0.0604","","","0.1744","0.1817","","","","","","1.097","","","","has coordinates","223715","2020-10-21","18:00:00",""
"7233308","17.5673","0.0003","25.7031","0.0005","24.4991","0.0004","90","","91.155","0.001","90","","11059.9","0.3","173","2","173","2","","","","","","","","4","I 1 2/m 1","-I 2y","12","","","","- C28 H15 In O8 -","- C28 H15 In O8 -","- C224 H120 In8 O64 -","8","1","","Du, Yujing; Zhong, Li; Hu, Yue; Li, Qipeng; Qian, Jinjie","Doubly interpenetrated indium-tricarboxylate frameworks mediated by small molecules with enhanced porosity","CrystEngComm","2019","21","34","5045","","10.1039/C9CE01076A","","","1.54184","CuKα","","0.0681","0.0641","","","0.181","0.1874","","","","","","1.006","","","","has coordinates","223715","2020-10-21","18:00:00",""
"7233309","9.0282","0.0002","15.3282","0.0003","26.6329","0.0005","90.906","0.002","91.479","0.002","98.927","0.002","3639.03","0.13","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H38 In2 N2 O16 -","- C66 H38 In2 N2 O16 -","- C132 H76 In4 N4 O32 -","2","1","","Du, Yujing; Zhong, Li; Hu, Yue; Li, Qipeng; Qian, Jinjie","Doubly interpenetrated indium-tricarboxylate frameworks mediated by small molecules with enhanced porosity","CrystEngComm","2019","21","34","5045","","10.1039/C9CE01076A","","","0.71073","MoKα","","0.0975","0.0907","","","0.2171","0.2203","","","","","","1.181","","","","has coordinates","223715","2020-10-21","18:00:00",""
"7233310","8.5776","0.0001","26.9064","0.0005","15.5158","0.0002","90","","91.233","0.001","90","","3580.1","0.09","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H25 In N2 O8 -","- C31 H25 In N2 O8 -","- C124 H100 In4 N8 O32 -","4","1","","Du, Yujing; Zhong, Li; Hu, Yue; Li, Qipeng; Qian, Jinjie","Doubly interpenetrated indium-tricarboxylate frameworks mediated by small molecules with enhanced porosity","CrystEngComm","2019","21","34","5045","","10.1039/C9CE01076A","","","1.54184","CuKα","","0.0368","0.0346","","","0.1007","0.1022","","","","","","1.075","","","","has coordinates","223715","2020-10-21","18:00:00",""
"7233315","16.5074","0.0005","16.5074","0.0005","36.8034","0.0014","90","","90","","90","","10028.7","0.6","293","2","293","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C49 H65 N3 O14 -","- C49 H65 N3 O14 -","- C392 H520 N24 O112 -","8","1","","Grepioni, F.; Braga, D.; Chelazzi, L.; Shemchuk, O.; Maffei, P.; Sforzini, A.; Viscomi, G. C.","Improving solubility and storage stability of rifaximin via solid-state solvation with Transcutol®","CrystEngComm","2019","21","35","5278","","10.1039/C9CE00567F","","","0.71073","MoKα","","0.2188","0.0907","","","0.1148","0.1481","","","","","","1.069","","","","has coordinates","223705","2020-10-21","18:00:00",""
"7233319","14.633","0.005","14.936","0.005","8.352","0.003","90","","104.445","0.005","90","","1767.7","1.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 N6 Ni O12 -","- C34 H30 N6 Ni O12 -","- C68 H60 N12 Ni2 O24 -","2","0.5","","Liu, Guocheng; Li, Yan; Lu, Zhenjie; Li, Xiaowu; Wang, Xiuli; Wang, Xiang; Chen, Xingxing","Versatile carboxylate-directed structures of ten 1D →3D Ni(ii) coordination polymers: fluorescence behaviors and electrochemical activities","CrystEngComm","2019","21","35","5344","","10.1039/C9CE01060B","","","0.71073","MoKα","","0.0645","0.0379","","","0.0862","0.0976","","","","","","1.008","","","","has coordinates","223707","2020-10-21","18:00:00",""
"7233320","11.4324","0.0016","11.544","0.003","11.2605","0.0016","90","","90.022","0.002","90","","1486.1","0.5","296","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 N4 Ni O10 -","- C28 H22 N4 Ni O10 -","- C56 H44 N8 Ni2 O20 -","2","0.5","","Liu, Guocheng; Li, Yan; Lu, Zhenjie; Li, Xiaowu; Wang, Xiuli; Wang, Xiang; Chen, Xingxing","Versatile carboxylate-directed structures of ten 1D →3D Ni(ii) coordination polymers: fluorescence behaviors and electrochemical activities","CrystEngComm","2019","21","35","5344","","10.1039/C9CE01060B","","","0.71073","MoKα","","0.0998","0.0551","","","0.1351","0.1602","","","","","","1.029","","","","has coordinates","223707","2020-10-21","18:00:00",""
"7233321","8.2076","0.0007","10.393","0.0009","10.7793","0.0009","89.31","0.001","68.817","0.001","79.981","0.001","842.99","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H30 N6 Ni O12 -","- C34 H30 N6 Ni O12 -","- C34 H30 N6 Ni O12 -","1","0.5","","Liu, Guocheng; Li, Yan; Lu, Zhenjie; Li, Xiaowu; Wang, Xiuli; Wang, Xiang; Chen, Xingxing","Versatile carboxylate-directed structures of ten 1D →3D Ni(ii) coordination polymers: fluorescence behaviors and electrochemical activities","CrystEngComm","2019","21","35","5344","","10.1039/C9CE01060B","","","0.71073","MoKα","","0.0392","0.0363","","","0.0957","0.0983","","","","","","1.03","","","","has coordinates","223707","2020-10-21","18:00:00",""
"7233322","11.8498","0.0005","23.5626","0.001","9.8007","0.0004","90","","113.262","0.001","90","","2514.02","0.18","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H44 Cl2 N8 Ni O8 -","- C54 H44 Cl2 N8 Ni O8 -","- C108 H88 Cl4 N16 Ni2 O16 -","2","0.5","","Liu, Guocheng; Li, Yan; Lu, Zhenjie; Li, Xiaowu; Wang, Xiuli; Wang, Xiang; Chen, Xingxing","Versatile carboxylate-directed structures of ten 1D →3D Ni(ii) coordination polymers: fluorescence behaviors and electrochemical activities","CrystEngComm","2019","21","35","5344","","10.1039/C9CE01060B","","","0.71073","MoKα","","0.0595","0.0418","","","0.0981","0.107","","","","","","1.011","","","","has coordinates","223707","2020-10-21","18:00:00",""
"7233323","17.734","0.0007","11.1559","0.0007","14.5549","0.0008","90","","104.509","0.002","90","","2787.7","0.3","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H25 N5 Ni O10 -","- C28 H25 N5 Ni O10 -","- C112 H100 N20 Ni4 O40 -","4","1","","Liu, Guocheng; Li, Yan; Lu, Zhenjie; Li, Xiaowu; Wang, Xiuli; Wang, Xiang; Chen, Xingxing","Versatile carboxylate-directed structures of ten 1D →3D Ni(ii) coordination polymers: fluorescence behaviors and electrochemical activities","CrystEngComm","2019","21","35","5344","","10.1039/C9CE01060B","","","0.71073","MoKα","","0.0461","0.0376","","","0.0838","0.0884","","","","","","1.031","","","","has coordinates","223707","2020-10-21","18:00:00",""
"7233324","19.736","0.002","8.6412","0.0009","17.026","0.0017","90","","113.939","0.002","90","","2653.9","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H26 N4 Ni O7 -","- C29 H26 N4 Ni O7 -","- C116 H104 N16 Ni4 O28 -","4","1","","Liu, Guocheng; Li, Yan; Lu, Zhenjie; Li, Xiaowu; Wang, Xiuli; Wang, Xiang; Chen, Xingxing","Versatile carboxylate-directed structures of ten 1D →3D Ni(ii) coordination polymers: fluorescence behaviors and electrochemical activities","CrystEngComm","2019","21","35","5344","","10.1039/C9CE01060B","","","0.71073","MoKα","","0.126","0.0553","","","0.0988","0.1235","","","","","","1.015","","","","has coordinates","223707","2020-10-21","18:00:00",""
"7233325","11.6915","0.0004","23.6757","0.0008","10.0123","0.0004","90","","109.32","0.001","90","","2615.38","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H50 N8 Ni O10 -","- C56 H50 N8 Ni O10 -","- C112 H100 N16 Ni2 O20 -","2","0.5","","Liu, Guocheng; Li, Yan; Lu, Zhenjie; Li, Xiaowu; Wang, Xiuli; Wang, Xiang; Chen, Xingxing","Versatile carboxylate-directed structures of ten 1D →3D Ni(ii) coordination polymers: fluorescence behaviors and electrochemical activities","CrystEngComm","2019","21","35","5344","","10.1039/C9CE01060B","","","0.71073","MoKα","","0.049","0.0389","","","0.0927","0.1018","","","","","","1.053","","","","has coordinates","223707","2020-10-21","18:00:00",""
"7233326","11.812","0.0005","12.7047","0.0005","11.6302","0.0005","90","","115.925","0.001","90","","1569.68","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H40 N4 Ni O12 -","- C28 H36 N4 Ni O12 -","- C56 H72 N8 Ni2 O24 -","2","0.5","","Liu, Guocheng; Li, Yan; Lu, Zhenjie; Li, Xiaowu; Wang, Xiuli; Wang, Xiang; Chen, Xingxing","Versatile carboxylate-directed structures of ten 1D →3D Ni(ii) coordination polymers: fluorescence behaviors and electrochemical activities","CrystEngComm","2019","21","35","5344","","10.1039/C9CE01060B","","","0.71073","MoKα","","0.041","0.0342","","","0.1009","0.106","","","","","","1.003","","","","has coordinates","223707","2020-10-21","18:00:00",""
"7233327","10.296","0.002","13.49","0.003","22.862","0.004","90","","98.471","0.005","90","","3140.7","1.1","296","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 N4 Ni O8 -","- C34 H26 N4 Ni O8 -","- C136 H104 N16 Ni4 O32 -","4","1","","Liu, Guocheng; Li, Yan; Lu, Zhenjie; Li, Xiaowu; Wang, Xiuli; Wang, Xiang; Chen, Xingxing","Versatile carboxylate-directed structures of ten 1D →3D Ni(ii) coordination polymers: fluorescence behaviors and electrochemical activities","CrystEngComm","2019","21","35","5344","","10.1039/C9CE01060B","","","0.71073","MoKα","","0.1055","0.0543","","","0.1179","0.1387","","","","","","1.011","","","","has coordinates","223707","2020-10-21","18:00:00",""
"7233328","7.9733","0.0007","13.0731","0.001","15.2385","0.0013","96.988","0.002","96.414","0.002","104.434","0.002","1510.1","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H29 N5 Ni O12 -","- C28 H29 N5 Ni O12 -","- C56 H58 N10 Ni2 O24 -","2","1","","Liu, Guocheng; Li, Yan; Lu, Zhenjie; Li, Xiaowu; Wang, Xiuli; Wang, Xiang; Chen, Xingxing","Versatile carboxylate-directed structures of ten 1D →3D Ni(ii) coordination polymers: fluorescence behaviors and electrochemical activities","CrystEngComm","2019","21","35","5344","","10.1039/C9CE01060B","","","0.71073","MoKα","","0.1082","0.0545","","","0.1078","0.1314","","","","","","1.001","","","","has coordinates","223707","2020-10-21","18:00:00",""
"7233329","12.803","0.009","4.63","0.003","13.233","0.009","90","","109.94","0.02","90","","737.4","0.9","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H7 I O -","- C7 H7 I O -","- C28 H28 I4 O4 -","4","1","","Prathap, Annamalai; Ravi, Arthi; Pathan, Javed R.; Sureshan, Kana M.","Halobenzyl alcohols as structurally simple organogelators","CrystEngComm","2019","21","35","5310","","10.1039/C9CE01008D","","","0.71073","MoKα","","0.048","0.0296","","","0.0612","0.0674","","","","","","1.028","","","","has coordinates,has disorder","223706","2020-10-21","18:00:00",""
"7233330","8.2382","0.0014","8.6956","0.0014","11.674","0.002","83.844","0.006","70.803","0.005","79.456","0.005","775.4","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H6 Cl2 O -","- C7 H6 Cl2 O -","- C28 H24 Cl8 O4 -","4","2","","Prathap, Annamalai; Ravi, Arthi; Pathan, Javed R.; Sureshan, Kana M.","Halobenzyl alcohols as structurally simple organogelators","CrystEngComm","2019","21","35","5310","","10.1039/C9CE01008D","","","0.71073","MoKα","","0.0809","0.0585","","","0.1404","0.1599","","","","","","1.023","","","","has coordinates","223706","2020-10-21","18:00:00",""
"7233331","7.182","0.004","14.93","0.009","15.398","0.009","107.741","0.018","97.263","0.018","100.108","0.019","1519.4","1.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H6 Cl2 O -","- C7 H6 Cl2 O -","- C56 H48 Cl16 O8 -","8","4","","Prathap, Annamalai; Ravi, Arthi; Pathan, Javed R.; Sureshan, Kana M.","Halobenzyl alcohols as structurally simple organogelators","CrystEngComm","2019","21","35","5310","","10.1039/C9CE01008D","","","0.71073","MoKα","","0.0777","0.048","","","0.1215","0.1431","","","","","","1.056","","","","has coordinates,has disorder","223706","2020-10-21","18:00:00",""
"7233332","7.0731","0.0017","7.5134","0.0019","21.137","0.005","92.27","0.006","94.494","0.007","94.926","0.007","1114.5","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H6 Cl2 O -","- C7 H6 Cl2 O -","- C42 H36 Cl12 O6 -","6","3","","Prathap, Annamalai; Ravi, Arthi; Pathan, Javed R.; Sureshan, Kana M.","Halobenzyl alcohols as structurally simple organogelators","CrystEngComm","2019","21","35","5310","","10.1039/C9CE01008D","","","0.71073","MoKα","","0.0942","0.0513","","","0.1019","0.1206","","","","","","1.038","","","","has coordinates","223706","2020-10-21","18:00:00",""
"7233333","6.0322","0.0003","16.5564","0.001","22.5967","0.0009","90","","90","","90","","2256.8","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H7 I O -","- C7 H6 I O -","- C84 H72 I12 O12 -","12","3","","Prathap, Annamalai; Ravi, Arthi; Pathan, Javed R.; Sureshan, Kana M.","Halobenzyl alcohols as structurally simple organogelators","CrystEngComm","2019","21","35","5310","","10.1039/C9CE01008D","","","0.71073","MoKα","","0.0351","0.0284","","","0.0663","0.0701","","","","","","1.046","","","","has coordinates,has disorder","223706","2020-10-21","18:00:00",""
"7233334","4.2512","0.0009","14.458","0.003","13.5","0.003","90","","97.411","0.008","90","","822.8","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 Br2 O -","- C7 H6 Br2 O -","- C28 H24 Br8 O4 -","4","1","","Prathap, Annamalai; Ravi, Arthi; Pathan, Javed R.; Sureshan, Kana M.","Halobenzyl alcohols as structurally simple organogelators","CrystEngComm","2019","21","35","5310","","10.1039/C9CE01008D","","","0.71073","MoKα","","0.0703","0.0369","","","0.0711","0.0817","","","","","","1.051","","","","has coordinates,has disorder","223706","2020-10-21","18:00:00",""
"7233335","8.3294","0.0006","9.6074","0.0007","16.413","0.0011","86.861","0.005","84.758","0.005","74.072","0.006","1257.12","0.16","100","0.1","100","0.1","","","","","","","","4","P 1","P 1","1","","","","- C25 H31 N3 O6 -","- C25 H31 N3 O6 -","- C50 H62 N6 O12 -","2","2","","Giri, Rajat Subhra; Mandal, Bhubaneswar","Formation of supramolecular single and double helix-like structures from designed tripeptides","CrystEngComm","2019","21","37","5618","","10.1039/C9CE01168D","","","0.71073","MoKα","","0.0627","0.0544","","","0.1522","0.1694","","","","","","0.787","","","","has coordinates","223497","2020-10-21","18:00:00",""
"7233336","18.5349","0.0008","8.8497","0.0003","14.3748","0.0005","90","","91.092","0.004","90","","2357.45","0.15","100","0.1","100","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H29 N3 O6 -","- C24 H29 N3 O6 -","- C96 H116 N12 O24 -","4","1","","Giri, Rajat Subhra; Mandal, Bhubaneswar","Formation of supramolecular single and double helix-like structures from designed tripeptides","CrystEngComm","2019","21","37","5618","","10.1039/C9CE01168D","","","0.71073","MoKα","","0.0608","0.0546","","","0.1562","0.1648","","","","","","0.817","","","","has coordinates","223497","2020-10-21","18:00:00",""
"7233337","14.6108","0.0006","17.6065","0.0009","31.2383","0.0016","90","","97.693","0.002","90","","7963.6","0.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C74 H82 Dy4 N15 O20.5 -","- C70 H75 Dy4 N13 O20 -","- C280 H300 Dy16 N52 O80 -","4","1","","Wang, Hui-Sheng; Chen, Yong; Hu, Zhao-Bo; Yin, Cheng-Ling; Zhang, Zaichao; Pan, Zhi-Quan","Modulation of the directions of the anisotropic axes of DyIII ions through utilizing two kinds of organic ligands or replacing DyIII ions by FeIII ions","CrystEngComm","2019","21","36","5429","","10.1039/C9CE00894B","","","0.71073","MoKα","","0.1191","0.0655","","","0.1026","0.1135","","","","","","1.099","","","","has coordinates","223700","2020-10-21","18:00:00",""
"7233338","57.391","0.003","13.9533","0.0006","24.8627","0.001","90","","115.263","0.001","90","","18005.7","1.4","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C79 H93 Cl4 Dy2 Fe4 N16 O21.5 -","- C69 H71 Cl4 Dy2 Fe4 N11 O18 -","- C552 H568 Cl32 Dy16 Fe32 N88 O144 -","8","1","","Wang, Hui-Sheng; Chen, Yong; Hu, Zhao-Bo; Yin, Cheng-Ling; Zhang, Zaichao; Pan, Zhi-Quan","Modulation of the directions of the anisotropic axes of DyIII ions through utilizing two kinds of organic ligands or replacing DyIII ions by FeIII ions","CrystEngComm","2019","21","36","5429","","10.1039/C9CE00894B","","","0.71073","MoKα","","0.1204","0.0695","","","0.1332","0.1492","","","","","","1.099","","","","has coordinates","223700","2020-10-21","18:00:00",""
"7233345","13.2777","0.0011","16.2811","0.0014","14.0218","0.0012","90","","97.395","0.001","90","","3006","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H24 Cu N11 O4 Tb -","- C27 H24 Cu N11 O4 Tb -","- C108 H96 Cu4 N44 O16 Tb4 -","4","1","","Kong, Jiao-Jiao; Zhang, Jia-Chen; Jiang, Yu-Xuan; Tao, Jin-Xia; Wang, Wen-Yan; Huang, Xing-Cai","Two-dimensional heterometallic CuIILnIII (Ln = Tb and Dy) coordination polymers bridged by dicyanamides showing slow magnetic relaxation behavior","CrystEngComm","2019","21","34","5145","","10.1039/C9CE00673G","","","0.71073","MoKα","","0.0327","0.0273","","","0.0723","0.0751","","","","","","1.032","","","","has coordinates","223713","2020-10-21","18:00:00",""
"7233346","13.244","0.011","16.166","0.014","14.029","0.012","90","","97.826","0.014","90","","2976","4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H24 Cu Gd N11 O4 -","- C27 H24 Cu Gd N11 O4 -","- C108 H96 Cu4 Gd4 N44 O16 -","4","1","","Kong, Jiao-Jiao; Zhang, Jia-Chen; Jiang, Yu-Xuan; Tao, Jin-Xia; Wang, Wen-Yan; Huang, Xing-Cai","Two-dimensional heterometallic CuIILnIII (Ln = Tb and Dy) coordination polymers bridged by dicyanamides showing slow magnetic relaxation behavior","CrystEngComm","2019","21","34","5145","","10.1039/C9CE00673G","","","0.71073","MoKα","","0.0815","0.049","","","0.0927","0.1031","","","","","","1.025","","","","has coordinates","223713","2020-10-21","18:00:00",""
"7233347","13.2179","0.0017","16.209","0.002","13.9594","0.0018","90","","97.364","0.002","90","","2966.1","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H24 Cu Dy N11 O4 -","- C27 H24 Cu Dy N11 O4 -","- C108 H96 Cu4 Dy4 N44 O16 -","4","1","","Kong, Jiao-Jiao; Zhang, Jia-Chen; Jiang, Yu-Xuan; Tao, Jin-Xia; Wang, Wen-Yan; Huang, Xing-Cai","Two-dimensional heterometallic CuIILnIII (Ln = Tb and Dy) coordination polymers bridged by dicyanamides showing slow magnetic relaxation behavior","CrystEngComm","2019","21","34","5145","","10.1039/C9CE00673G","","","0.71073","MoKα","","0.0486","0.037","","","0.0875","0.0917","","","","","","0.987","","","","has coordinates","223713","2020-10-21","18:00:00",""
"7233348","8.1484","0.0006","11.1597","0.0009","12.1161","0.0009","64.235","0.003","87.836","0.003","81.558","0.003","981.06","0.13","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H34 Cl2 Cu2 N4 O8 P2 -","- C38 H34 Cl2 Cu2 N4 O8 P2 -","- C38 H34 Cl2 Cu2 N4 O8 P2 -","1","0.5","","Wang, Yue; Shi, Yongfang; Zou, Xiaochuan; He, Yucen; Wang, Xia","Pyridylphosphine supported Ag(i) and Cu(i) complexes for detection of alcohols and nitriles via structural transformations from 1D to 0D","CrystEngComm","2019","21","37","5595","","10.1039/C9CE00943D","","","0.71073","MoKα","","0.0319","0.0263","","","0.0779","0.0895","","","","","","1.171","","","","has coordinates","223499","2020-10-21","18:00:00",""
"7233349","10.5412","0.0004","14.2159","0.0006","16.8559","0.0006","71.294","0.001","88.816","0.001","86.636","0.001","2388.35","0.16","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H43 Ag2 Cl2 N7 O8 P2 -","- C44 H43 Ag2 Cl2 N7 O8 P2 -","- C88 H86 Ag4 Cl4 N14 O16 P4 -","2","1","","Wang, Yue; Shi, Yongfang; Zou, Xiaochuan; He, Yucen; Wang, Xia","Pyridylphosphine supported Ag(i) and Cu(i) complexes for detection of alcohols and nitriles via structural transformations from 1D to 0D","CrystEngComm","2019","21","37","5595","","10.1039/C9CE00943D","","","0.71073","MoKα","","0.0454","0.0395","","","0.1034","0.1141","","","","","","1.106","","","","has coordinates,has disorder","223499","2020-10-21","18:00:00",""
"7233350","9.1529","0.0005","18.4467","0.001","20.8604","0.0013","90","","101.679","0.002","90","","3449.2","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H28 Cl2 Cu2 N2 O8 P2 -","- C34 H28 Cl2 Cu2 N2 O8 P2 -","- C136 H112 Cl8 Cu8 N8 O32 P8 -","4","1","","Wang, Yue; Shi, Yongfang; Zou, Xiaochuan; He, Yucen; Wang, Xia","Pyridylphosphine supported Ag(i) and Cu(i) complexes for detection of alcohols and nitriles via structural transformations from 1D to 0D","CrystEngComm","2019","21","37","5595","","10.1039/C9CE00943D","","","0.71073","MoKα","","0.0308","0.0246","","","0.0726","0.0916","","","","","","1.021","","","","has coordinates","223499","2020-10-21","18:00:00",""
"7233351","9.2146","0.0004","22.3264","0.0011","20.6049","0.001","90","","102.501","0.002","90","","4138.5","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H32 Ag2 Cl6 N2 O8 P2 -","- C36 H32 Ag2 Cl6 N2 O8 P2 -","- C144 H128 Ag8 Cl24 N8 O32 P8 -","4","1","","Wang, Yue; Shi, Yongfang; Zou, Xiaochuan; He, Yucen; Wang, Xia","Pyridylphosphine supported Ag(i) and Cu(i) complexes for detection of alcohols and nitriles via structural transformations from 1D to 0D","CrystEngComm","2019","21","37","5595","","10.1039/C9CE00943D","","","0.71073","MoKα","","0.0586","0.0421","","","0.1251","0.1417","","","","","","0.992","","","","has coordinates","223499","2020-10-21","18:00:00",""
"7233356","6.885","0.0011","13.936","0.002","24.919","0.003","90","","102.6","0.005","90","","2333.4","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 N5 O8 -","- C26 H19 N5 O8 -","- C104 H76 N20 O32 -","4","1","","Hill, Tania; Erasmus, Rudolph M.; Levendis, Demetrius C.; Lemmerer, Andreas","Combining two distinctive intermolecular forces in designing ternary co-crystals and molecular salts of 1,3,5-trinitrobenzene, 9-anthracenecarboxylic acid and ten substituted pyridines","CrystEngComm","2019","21","35","5206","","10.1039/C9CE00093C","","x-ray","0.71073","MoKα","","0.108","0.0853","","","0.253","0.2734","","","","","","1.007","","","","has coordinates","223709","2020-10-21","18:00:00",""
"7233357","8.9809","0.0006","7.3118","0.0005","38.083","0.003","90","","94.095","0.001","90","","2494.4","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 Br N5 O8 -","- C26 H18 Br N5 O8 -","- C104 H72 Br4 N20 O32 -","4","1","","Hill, Tania; Erasmus, Rudolph M.; Levendis, Demetrius C.; Lemmerer, Andreas","Combining two distinctive intermolecular forces in designing ternary co-crystals and molecular salts of 1,3,5-trinitrobenzene, 9-anthracenecarboxylic acid and ten substituted pyridines","CrystEngComm","2019","21","35","5206","","10.1039/C9CE00093C","","x-ray","0.71073","MoKα","","0.0451","0.0358","","","0.0823","0.0858","","","","","","1.085","","","","has coordinates","223709","2020-10-21","18:00:00",""
"7233358","7.234","0.002","9.378","0.003","35.927","0.011","89.798","0.006","88.075","0.006","87.452","0.006","2433.5","1.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H21 N5 O9 -","- C26 H21 N5 O9 -","- C104 H84 N20 O36 -","4","2","","Hill, Tania; Erasmus, Rudolph M.; Levendis, Demetrius C.; Lemmerer, Andreas","Combining two distinctive intermolecular forces in designing ternary co-crystals and molecular salts of 1,3,5-trinitrobenzene, 9-anthracenecarboxylic acid and ten substituted pyridines","CrystEngComm","2019","21","35","5206","","10.1039/C9CE00093C","","x-ray","0.71073","MoKα","","0.1169","0.0746","","","0.168","0.1837","","","","","","1.121","","","","has coordinates","223709","2020-10-21","18:00:00",""
"7233359","13.6779","0.0011","18.3499","0.0014","17.2493","0.0014","90","","102.983","0.003","90","","4218.7","0.6","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C47 H32 N8 O16 -","- C47 H32 N8 O16 -","- C188 H128 N32 O64 -","4","1","","Hill, Tania; Erasmus, Rudolph M.; Levendis, Demetrius C.; Lemmerer, Andreas","Combining two distinctive intermolecular forces in designing ternary co-crystals and molecular salts of 1,3,5-trinitrobenzene, 9-anthracenecarboxylic acid and ten substituted pyridines","CrystEngComm","2019","21","35","5206","","10.1039/C9CE00093C","","x-ray","0.71073","MoKα","","0.0648","0.0474","","","0.1378","0.155","","","","","","1.004","","","","has coordinates","223709","2020-10-21","18:00:00",""
"7233360","7.037","0.003","9.676","0.004","19.738","0.008","87.593","0.011","82.035","0.011","84.659","0.013","1324.6","1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H21 N5 O8 -","- C31 H21 N5 O8 -","- C62 H42 N10 O16 -","2","1","","Hill, Tania; Erasmus, Rudolph M.; Levendis, Demetrius C.; Lemmerer, Andreas","Combining two distinctive intermolecular forces in designing ternary co-crystals and molecular salts of 1,3,5-trinitrobenzene, 9-anthracenecarboxylic acid and ten substituted pyridines","CrystEngComm","2019","21","35","5206","","10.1039/C9CE00093C","","x-ray","0.71073","MoKα","","0.1522","0.1019","","","0.2847","0.3186","","","","","","1.056","","","","has coordinates","223709","2020-10-21","18:00:00",""
"7233361","8.8909","0.0011","7.8185","0.001","36.688","0.005","90","","96.018","0.004","90","","2536.3","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 N6 O10 -","- C26 H18 N6 O10 -","- C104 H72 N24 O40 -","4","1","","Hill, Tania; Erasmus, Rudolph M.; Levendis, Demetrius C.; Lemmerer, Andreas","Combining two distinctive intermolecular forces in designing ternary co-crystals and molecular salts of 1,3,5-trinitrobenzene, 9-anthracenecarboxylic acid and ten substituted pyridines","CrystEngComm","2019","21","35","5206","","10.1039/C9CE00093C","","x-ray","0.71073","MoKα","","0.081","0.0748","","","0.1902","0.1959","","","","","","1.036","","","","has coordinates","223709","2020-10-21","18:00:00",""
"7233362","21.064","0.0017","7.3594","0.0005","17.0447","0.0013","90","","112.32","0.002","90","","2444.3","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 N6 O10 -","- C26 H18 N6 O10 -","- C104 H72 N24 O40 -","4","1","","Hill, Tania; Erasmus, Rudolph M.; Levendis, Demetrius C.; Lemmerer, Andreas","Combining two distinctive intermolecular forces in designing ternary co-crystals and molecular salts of 1,3,5-trinitrobenzene, 9-anthracenecarboxylic acid and ten substituted pyridines","CrystEngComm","2019","21","35","5206","","10.1039/C9CE00093C","","x-ray","0.71073","MoKα","","0.0633","0.0391","","","0.0861","0.0984","","","","","","1.017","","","","has coordinates","223709","2020-10-21","18:00:00",""
"7233363","8.9784","0.0015","7.2372","0.0012","38.16","0.007","90","","94.321","0.004","90","","2472.5","0.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 Br N5 O8 -","- C26 H18 Br N5 O8 -","- C104 H72 Br4 N20 O32 -","4","1","","Hill, Tania; Erasmus, Rudolph M.; Levendis, Demetrius C.; Lemmerer, Andreas","Combining two distinctive intermolecular forces in designing ternary co-crystals and molecular salts of 1,3,5-trinitrobenzene, 9-anthracenecarboxylic acid and ten substituted pyridines","CrystEngComm","2019","21","35","5206","","10.1039/C9CE00093C","","x-ray","0.71073","MoKα","","0.0476","0.0426","","","0.1146","0.1189","","","","","","1.058","","","","has coordinates","223709","2020-10-21","18:00:00",""
"7233364","21.301","0.005","7.2862","0.0013","17.188","0.003","90","","113.047","0.005","90","","2454.7","0.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 Br N5 O8 -","- C26 H18 Br N5 O8 -","- C104 H72 Br4 N20 O32 -","4","1","","Hill, Tania; Erasmus, Rudolph M.; Levendis, Demetrius C.; Lemmerer, Andreas","Combining two distinctive intermolecular forces in designing ternary co-crystals and molecular salts of 1,3,5-trinitrobenzene, 9-anthracenecarboxylic acid and ten substituted pyridines","CrystEngComm","2019","21","35","5206","","10.1039/C9CE00093C","","x-ray","0.71073","MoKα","","0.1062","0.0564","","","0.1188","0.1378","","","","","","1.025","","","","has coordinates","223709","2020-10-21","18:00:00",""
"7233365","8.931","0.001","7.2239","0.0008","38.218","0.005","90","","94.402","0.002","90","","2458.4","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 Cl N5 O8 -","- C26 H18 Cl N5 O8 -","- C104 H72 Cl4 N20 O32 -","4","1","","Hill, Tania; Erasmus, Rudolph M.; Levendis, Demetrius C.; Lemmerer, Andreas","Combining two distinctive intermolecular forces in designing ternary co-crystals and molecular salts of 1,3,5-trinitrobenzene, 9-anthracenecarboxylic acid and ten substituted pyridines","CrystEngComm","2019","21","35","5206","","10.1039/C9CE00093C","","x-ray","0.71073","MoKα","","0.0522","0.0371","","","0.0902","0.0981","","","","","","1.026","","","","has coordinates","223709","2020-10-21","18:00:00",""
"7233366","6.8096","0.0002","7.953","0.0003","14.0826","0.0004","94.042","0.002","103.561","0.002","103.726","0.003","713.78","0.04","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","theobromine 2-hydroxybenzoic acid","","- C14 H14 N4 O5 -","- C14 H14 N4 O5 -","- C28 H28 N8 O10 -","2","1","","Gołdyn, Mateusz; Larowska, Daria; Nowak, Weronika; Bartoszak-Adamska, Elżbieta","Theobromine cocrystals with monohydroxybenzoic acids ‒ synthesis, X-ray structural analysis, solubility and thermal properties","CrystEngComm","2019","21","38","5721","","10.1039/C9CE01020C","","x-ray","1.54184","CuKα","","0.0372","0.0352","","","0.0982","0.1003","","","","","","1.046","","","","has coordinates","223724","2020-10-21","18:00:00",""
"7233367","6.4812","0.0002","23.7503","0.0007","9.3288","0.0003","90","","101.841","0.003","90","","1405.43","0.08","149.95","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","theobromine 3-hydroxybenzoic acid","","- C14 H14 N4 O5 -","- C14 H14 N4 O5 -","- C56 H56 N16 O20 -","4","1","","Gołdyn, Mateusz; Larowska, Daria; Nowak, Weronika; Bartoszak-Adamska, Elżbieta","Theobromine cocrystals with monohydroxybenzoic acids ‒ synthesis, X-ray structural analysis, solubility and thermal properties","CrystEngComm","2019","21","38","5721","","10.1039/C9CE01020C","","x-ray","1.54184","CuKα","","0.043","0.0377","","","0.0976","0.1016","","","","","","1.077","","","","has coordinates","223724","2020-10-21","18:00:00",""
"7233368","7.0166","0.0002","12.4761","0.0004","24.645","0.0008","99.639","0.003","91.74","0.003","99.464","0.003","2094.29","0.12","130","0.1","130","0.1","","","","","","","","4","P -1","-P 1","2","","theobromine di(4-hydroxybenzoic acid) monohydrate","","- C21 H22 N4 O9 -","- C21 H22 N4 O9 -","- C84 H88 N16 O36 -","4","2","","Gołdyn, Mateusz; Larowska, Daria; Nowak, Weronika; Bartoszak-Adamska, Elżbieta","Theobromine cocrystals with monohydroxybenzoic acids ‒ synthesis, X-ray structural analysis, solubility and thermal properties","CrystEngComm","2019","21","38","5721","","10.1039/C9CE01020C","","x-ray","1.54184","CuKα","","0.0525","0.0452","","","0.1325","0.1388","","","","","","1.067","","","","has coordinates","223724","2020-10-21","18:00:00",""
"7233394","8.3364","0.0001","24.4555","0.0003","11.4028","0.0001","90","","90.717","0.001","90","","2324.52","0.04","173.01","0.1","173.01","0.1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C25 H28 I N O3 -","- C25 H28 I N O3 -","- C100 H112 I4 N4 O12 -","4","1","","Shang, Shufang; Li, Ruian; Ping, Linjun; Luo, Wenzhen; Hai, Mingtan; Yang, Zhou; Wang, Dong; Cao, Hui; He, Wanli","Large-sized benzo[e]indolium salt single crystals with high optical nonlinearity","CrystEngComm","2019","21","37","5626","","10.1039/C9CE01082C","","x-ray","1.54184","CuKα","","0.0256","0.0253","","","0.0613","0.0618","","","","","","1.056","","","","has coordinates","223500","2020-10-21","18:00:00",""
"7233395","8.77916","0.00011","19.3848","0.0002","11.98474","0.00015","90","","89.748","0.0011","90","","2039.57","0.04","172.97","0.1","172.97","0.1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H24 I N O2 -","- C24 H24 I N O2 -","- C96 H96 I4 N4 O8 -","4","1","","Shang, Shufang; Li, Ruian; Ping, Linjun; Luo, Wenzhen; Hai, Mingtan; Yang, Zhou; Wang, Dong; Cao, Hui; He, Wanli","Large-sized benzo[e]indolium salt single crystals with high optical nonlinearity","CrystEngComm","2019","21","37","5626","","10.1039/C9CE01082C","","x-ray","1.54184","CuKα","","0.0307","0.0306","","","0.0784","0.0787","","","","","","1.06","","","","has coordinates","223500","2020-10-21","18:00:00",""
"7233396","9.71088","0.00005","16.39216","0.00009","15.37234","0.00009","90","","97.2646","0.0005","90","","2427.36","0.02","223","","223","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H19 N5 S -","- C32 H19 N5 S -","- C128 H76 N20 S4 -","4","1","","Ito, Suguru; Nishimoto, Chika; Nagai, Sayaka","Sequential halochromic/mechanochromic luminescence of pyridyl-substituted solid-state emissive dyes: thermally controlled stepwise recovery of the original emission color","CrystEngComm","2019","21","38","5699","","10.1039/C9CE01037H","","","1.54184","CuKα","","0.0362","0.0346","","","0.0905","0.0919","","","","","","1.051","","","","has coordinates","223725","2020-10-21","18:00:00",""
"7233397","9.74862","0.00008","17.91753","0.00015","17.82303","0.00015","90","","92.1261","0.0008","90","","3111.03","0.04","223","","223","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H24 N6 O4 S -","- C39 H24 N6 O4 S -","- C156 H96 N24 O16 S4 -","4","1","","Ito, Suguru; Nishimoto, Chika; Nagai, Sayaka","Sequential halochromic/mechanochromic luminescence of pyridyl-substituted solid-state emissive dyes: thermally controlled stepwise recovery of the original emission color","CrystEngComm","2019","21","38","5699","","10.1039/C9CE01037H","","","1.54184","CuKα","","0.0414","0.0389","","","0.1042","0.1062","","","","","","1.029","","","","has coordinates","223725","2020-10-21","18:00:00",""
"7233398","10.12758","0.00005","16.68174","0.0001","19.48203","0.0001","90","","99.0942","0.0005","90","","3250.03","0.03","223","","223","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H24 F3 N5 O2 S -","- C40 H24 F3 N5 O2 S -","- C160 H96 F12 N20 O8 S4 -","4","1","","Ito, Suguru; Nishimoto, Chika; Nagai, Sayaka","Sequential halochromic/mechanochromic luminescence of pyridyl-substituted solid-state emissive dyes: thermally controlled stepwise recovery of the original emission color","CrystEngComm","2019","21","38","5699","","10.1039/C9CE01037H","","","1.54184","CuKα","","0.0618","0.0568","","","0.158","0.1623","","","","","","1.065","","","","has coordinates","223725","2020-10-21","18:00:00",""
"7233399","9.72297","0.00007","17.69375","0.00011","18.28982","0.00012","90","","94.3128","0.0006","90","","3137.59","0.04","223","","223","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H24 N6 O2 S -","- C40 H24 N6 O2 S -","- C160 H96 N24 O8 S4 -","4","1","","Ito, Suguru; Nishimoto, Chika; Nagai, Sayaka","Sequential halochromic/mechanochromic luminescence of pyridyl-substituted solid-state emissive dyes: thermally controlled stepwise recovery of the original emission color","CrystEngComm","2019","21","38","5699","","10.1039/C9CE01037H","","","1.54184","CuKα","","0.0386","0.0357","","","0.092","0.0942","","","","","","1.025","","","","has coordinates","223725","2020-10-21","18:00:00",""
"7233400","9.93969","0.00008","17.64482","0.00016","17.57204","0.00014","90","","93.1282","0.0008","90","","3077.26","0.04","223","","223","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H25 N5 O2 S -","- C39 H25 N5 O2 S -","- C156 H100 N20 O8 S4 -","4","1","","Ito, Suguru; Nishimoto, Chika; Nagai, Sayaka","Sequential halochromic/mechanochromic luminescence of pyridyl-substituted solid-state emissive dyes: thermally controlled stepwise recovery of the original emission color","CrystEngComm","2019","21","38","5699","","10.1039/C9CE01037H","","","1.54184","CuKα","","0.0374","0.0355","","","0.0927","0.0942","","","","","","1.043","","","","has coordinates","223725","2020-10-21","18:00:00",""
"7233401","19.109","0.002","19.109","0.002","8.6482","0.0011","90","","90","","120","","2734.8","0.5","120","2","120","2","","","","","","","","5","P 3","P 3","143","","","","- C90 H70 Gd2 N18 O25 -","- C90 H57 Gd2 N18 O25 -","- C90 H57 Gd2 N18 O25 -","1","0.333333","","Bhattacharya, Sudeshna; Bala, Sukhen; Mondal, Raju","Ln-MOFs using a compartmental ligand with a unique combination of hard‒soft terminals and their magnetic, gas adsorption and luminescence properties","CrystEngComm","2019","21","37","5665","","10.1039/C9CE01026B","","","0.71073","MoKα","","0.0337","0.0281","","","0.073","0.0752","","","","","","1.079","","","","has coordinates","223501","2020-10-21","18:00:00",""
"7233402","19.1877","0.0019","19.1877","0.0019","8.5095","0.0009","90","","90","","120","","2713.2","0.5","120","2","120","2","","","","","","","","5","P 3","P 3","143","","","","- C90 H90 Dy2 N18 O28 -","- C90 H57 Dy2 N18 O28 -","- C90 H57 Dy2 N18 O28 -","1","0.333333","","Bhattacharya, Sudeshna; Bala, Sukhen; Mondal, Raju","Ln-MOFs using a compartmental ligand with a unique combination of hard‒soft terminals and their magnetic, gas adsorption and luminescence properties","CrystEngComm","2019","21","37","5665","","10.1039/C9CE01026B","","","0.71073","MoKα","","0.1479","0.0728","","","0.1506","0.1859","","","","","","0.997","","","","has coordinates","223501","2020-10-21","18:00:00",""
"7233404","16.836","0.0014","24.094","0.002","17.7653","0.0015","90","","117.791","0.003","90","","6375.2","0.9","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C109 H147 Cd4 N19 Na2 O35 -","- C109 H147 Cd4 N19 Na2 O35 -","- C218 H294 Cd8 N38 Na4 O70 -","2","0.5","","Verma, Pankaj; Singh, Udai P.; Butcher, Ray J.","Luminescent metal organic frameworks for sensing and gas adsorption studies","CrystEngComm","2019","21","36","5470","","10.1039/C9CE00732F","","","0.71073","MoKα","","0.1197","0.0692","","","0.1883","0.2216","","","","","","1.045","","","","has coordinates","223695","2020-10-21","18:00:00",""
"7233405","43.6114","0.0018","43.6114","0.0018","43.6114","0.0018","90","","90","","90","","82947","6","296","2","296","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C72 H90 N6 O31 Zn7 -","- C72 H72 N6 O31 Zn7 -","- C1152 H1152 N96 O496 Zn112 -","16","0.0833333","","Verma, Pankaj; Singh, Udai P.; Butcher, Ray J.","Luminescent metal organic frameworks for sensing and gas adsorption studies","CrystEngComm","2019","21","36","5470","","10.1039/C9CE00732F","","","0.71073","MoKα","","0.2533","0.1448","","","0.3452","0.4833","","","","","","1.688","","","","has coordinates","223695","2020-10-21","18:00:00",""
"7233406","10.0881","0.0002","10.2574","0.0002","14.2782","0.0003","76.988","0.002","72.988","0.002","82.528","0.002","1373.28","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H26 Cu N4 O7 -","- C30 H26 Cu N4 O7 -","- C60 H52 Cu2 N8 O14 -","2","1","","Zhang, Xiuling; Geng, Longlong; Zhang, Yong-Zheng; Zhang, Da-Shuai; Zhang, Ranhui; Fu, Junna; Gao, Jun; Carozza, Jesse C.; Zhou, Zheng; Han, Haixiang","Construction of Cu-based MOFs with enhanced hydrogenation performance by integrating open electropositive metal sites","CrystEngComm","2019","21","36","5382","","10.1039/C9CE01136F","","","1.54178","CuKα","","0.0411","0.0384","","","0.0995","0.1014","","","","","","1.069","","","","has coordinates","223696","2020-10-21","18:00:00",""
"7233407","16.2198","0.0002","10.5608","0.0001","21.3159","0.0002","90","","90","","90","","3651.29","0.07","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H28 Cu2 N4 O14 -","- C34 H28 Cu2 N4 O14 -","- C136 H112 Cu8 N16 O56 -","4","0.5","","Zhang, Xiuling; Geng, Longlong; Zhang, Yong-Zheng; Zhang, Da-Shuai; Zhang, Ranhui; Fu, Junna; Gao, Jun; Carozza, Jesse C.; Zhou, Zheng; Han, Haixiang","Construction of Cu-based MOFs with enhanced hydrogenation performance by integrating open electropositive metal sites","CrystEngComm","2019","21","36","5382","","10.1039/C9CE01136F","","","1.54178","CuKα","","0.0546","0.0506","","","0.1522","0.1572","","","","","","1.07","","","","has coordinates,has disorder","223696","2020-10-21","18:00:00",""
"7233408","12.5556","0.0011","10.9547","0.0012","26.244","0.003","90","","91.529","0.009","90","","3608.4","0.7","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H12 O -","- C18 H12 O -","- C216 H144 O12 -","12","6","","Tchoń, Daniel; Trzybiński, Damian; Wrona-Piotrowicz, Anna; Makal, Anna","Polymorphism and resulting luminescence properties of 1-acetylpyrene","CrystEngComm","2019","21","38","5845","","10.1039/C9CE01203F","","x-ray","1.54184","CuKα","","0.2173","0.1143","","","0.2825","0.386","","","","","","0.987","","","","has coordinates","223726","2020-10-21","18:00:00",""
"7233409","10.4667","0.0006","11.5284","0.0004","10.3816","0.0005","90","","104.218","0.006","90","","1214.32","0.11","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 O -","- C18 H12 O -","- C72 H48 O4 -","4","1","","Tchoń, Daniel; Trzybiński, Damian; Wrona-Piotrowicz, Anna; Makal, Anna","Polymorphism and resulting luminescence properties of 1-acetylpyrene","CrystEngComm","2019","21","38","5845","","10.1039/C9CE01203F","","x-ray","1.54184","CuKα","","0.0671","0.0491","","","0.1293","0.146","","","","","","1.038","","","","has coordinates","223726","2020-10-21","18:00:00",""
"7233410","34.3656","0.0014","7.0662","0.0003","9.9016","0.0004","90","","98.266","0.004","90","","2379.47","0.17","100.01","0.1","100.01","0.1","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C18 H12 O -","- C18 H12 O -","- C144 H96 O8 -","8","2","","Tchoń, Daniel; Trzybiński, Damian; Wrona-Piotrowicz, Anna; Makal, Anna","Polymorphism and resulting luminescence properties of 1-acetylpyrene","CrystEngComm","2019","21","38","5845","","10.1039/C9CE01203F","","x-ray","1.54184","CuKα","","0.05","0.0482","","","0.1392","0.1413","","","","","","1.096","","","","has coordinates","223726","2020-10-21","18:00:00",""
"7233411","8.1482","0.0007","11.8292","0.001","13.9004","0.0012","79.258","0.002","78.938","0.002","80.499","0.002","1280.21","0.19","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H22 Cl4 Co N5 O3 S -","- C21 H22 Cl4 Co N5 O3 S -","- C42 H44 Cl8 Co2 N10 O6 S2 -","2","1","","Chattopadhyay, Shouvik; Ghosh, Kousik; Banerjee, Snehasis","Relative stability of cis and trans isomers of octahedral cobalt(III) complexes of the type [Co(N2O2)X2] with tetradentate salen type Schiff bases: A combined theoretical and experimental study","CrystEngComm","2019","","","","","10.1039/C9CE00922A","","","0.71073","MoKα","","0.04","0.0301","","","0.1028","0.1289","","","","","","0.998","","","","has coordinates","217642","2020-10-21","18:00:00",""
"7233412","5.19987","0.00006","11.27107","0.00012","12.08308","0.00011","103.642","0.0008","98.8523","0.0009","101.498","0.0009","659.199","0.013","100","","100","1","","","","","","","","5","P -1","-P 1","2","","N-n-butyltetrachlorophthalimide","","- C12 H9 Cl4 N O2 -","- C12 H9 Cl4 N O2 -","- C24 H18 Cl8 N2 O4 -","2","1","","Owczarzak, Agata; Dutkiewicz, Grzegorz; Kubicki, Maciej","Charge density distribution in the crystals of N-n-butyltetrachlorophthalimide. Atoms-In-Molecules analysis of different types of halogen interactions","CrystEngComm","2019","","","","","10.1039/C9CE01120J","","","0.71073","MoKα","","0.0131","0.0131","","","0.016","0.016","","","","","","0.926","","","","has coordinates","217643","2020-10-21","18:00:00",""
"7233416","18.659","0.007","9.1804","0.0008","20.117","0.003","90","","99.31","0.018","90","","3400.6","1.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H30 Cl2 Mo N4 O4 -","- C37 H30 Cl2 Mo N4 O4 -","- C148 H120 Cl8 Mo4 N16 O16 -","4","1","","Kia, Reza; Hosseini, Mahsa; Abdolrahimi, Amin; Mahmoudi, Melika","Intermolecular C‒H⋯O and n →π* and short intramolecular σ →π* interactions in the molybdenum(0) tetracarbonyl complex of a very twisted 14-membered tetraazaannulene macrocyclic ligand: structural and computational studies","CrystEngComm","2019","21","35","5222","","10.1039/C9CE01005J","","","0.71073","MoKα","","0.0977","0.0713","","","0.1607","0.1777","","","","","","1.06","","","","has coordinates","223703","2020-10-21","18:00:00",""
"7233417","8.5132","0.0002","16.183","0.0003","18.9865","0.0004","90","","97.818","0.002","90","","2591.44","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dapsone acetonitrile hemisolvate","","- C26 H27 N5 O4 S2 -","- C26 H27 N5 O4 S2 -","- C104 H108 N20 O16 S8 -","4","1","","Braun, Doris E.; Gelbrich, Thomas; Griesser, Ulrich J.","Experimental and computational approaches to produce and characterise isostructural solvates","CrystEngComm","2019","21","36","5533","","10.1039/C9CE00856J","","x-ray","0.71073","MoKα","K-L~3~","0.0477","0.0393","","","0.0975","0.1056","","","","","","1.071","","","","has coordinates","223699","2020-10-21","18:00:00",""
"7233418","8.4167","0.0002","16.3415","0.0003","19.1383","0.0004","90","","95.832","0.002","90","","2618.69","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dapsone nitromethane hemisolvate","","- C25 H27 N5 O6 S2 -","- C25 H27 N5 O6 S2 -","- C100 H108 N20 O24 S8 -","4","1","","Braun, Doris E.; Gelbrich, Thomas; Griesser, Ulrich J.","Experimental and computational approaches to produce and characterise isostructural solvates","CrystEngComm","2019","21","36","5533","","10.1039/C9CE00856J","","x-ray","1.54178","CuKα","K-L~3~","0.05","0.0491","","","0.1269","0.1276","","","","","","1.107","","","","has coordinates","223699","2020-10-21","18:00:00",""
"7233420","18.5382","0.0005","18.5382","0.0005","6.7599","0.0002","90","","90","","120","","2011.9","0.1","173","","173","","","","","","","","","5","P -3 m 1","-P 3 2""","164","","","","- C10 H11 Cu N O5 -","- C10 H11 Cu N O5 -","- C60 H66 Cu6 N6 O30 -","6","0.5","","McHugh, Lauren N.; Olivera Perez, Leonardo J.; Wheatley, Paul S.; Cordes, David B.; Slawin, Alexandra M. Z.; Morris, Russell E.","Synthesis and structural characterisation of the copper MOF: STAM-NMe2","CrystEngComm","2019","21","36","5387","","10.1039/C9CE01035A","","x-ray","0.71073","MoKα","","0.0565","0.0367","","","0.0941","0.0992","","","","","","1.124","","","","has coordinates","223701","2020-10-21","18:00:00",""
"7233421","9.2213","0.0016","13.783","0.002","5.0802","0.0008","90","","90","","90","","645.68","0.18","200","2","200","2","","","","","","","","5","P n a 21","P 2c -2n","33","","4-amino-3-chloro-2,5,6-trifluoropyridine","","- C5 H2 Cl F3 N2 -","- C5 H2 Cl F3 N2 -","- C20 H8 Cl4 F12 N8 -","4","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Benassi, Enrico; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Impact of molecular packing rearrangement on solid-state fluorescence: polyhalogenated N-hetarylamines vs. their co-crystals with 18-crown-6","CrystEngComm","2019","21","39","5931","","10.1039/C9CE00645A","","","0.71073","MoKα","","0.0582","0.0467","","","0.1413","0.1492","","","","","","0.965","","","","has coordinates","223567","2020-10-21","18:00:00",""
"7233422","15.0718","0.0007","13.6626","0.0005","7.0649","0.0003","90","","92.519","0.002","90","","1453.4","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-amino-3,5-dichloro-2,6-difluoropyridine","","- C5 H2 Cl2 F2 N2 -","- C5 H2 Cl2 F2 N2 -","- C40 H16 Cl16 F16 N16 -","8","2","","Vaganova, Tamara A.; Gatilov, Yurij V.; Benassi, Enrico; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Impact of molecular packing rearrangement on solid-state fluorescence: polyhalogenated N-hetarylamines vs. their co-crystals with 18-crown-6","CrystEngComm","2019","21","39","5931","","10.1039/C9CE00645A","","","0.71073","MoKα","","0.0555","0.0424","","","0.1192","0.1338","","","","","","0.972","","","","has coordinates","223567","2020-10-21","18:00:00",""
"7233423","3.6538","0.0003","7.6296","0.0008","20.158","0.002","90","","91.323","0.004","90","","561.8","0.09","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-amino-3,5,6-trifluoropyridine","","- C5 H3 F3 N2 -","- C5 H3 F3 N2 -","- C20 H12 F12 N8 -","4","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Benassi, Enrico; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Impact of molecular packing rearrangement on solid-state fluorescence: polyhalogenated N-hetarylamines vs. their co-crystals with 18-crown-6","CrystEngComm","2019","21","39","5931","","10.1039/C9CE00645A","","","0.71073","MoKα","","0.0619","0.0516","","","0.1329","0.1391","","","","","","1.023","","","","has coordinates","223567","2020-10-21","18:00:00",""
"7233424","5.0807","0.0005","7.6319","0.0007","8.5518","0.0009","77.722","0.004","89.064","0.005","87.753","0.004","323.75","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","2-amino-4-chloro-3,5,6-trifluoropyridine","","- C5 H2 Cl F3 N2 -","- C5 H2 Cl F3 N2 -","- C10 H4 Cl2 F6 N4 -","2","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Benassi, Enrico; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Impact of molecular packing rearrangement on solid-state fluorescence: polyhalogenated N-hetarylamines vs. their co-crystals with 18-crown-6","CrystEngComm","2019","21","39","5931","","10.1039/C9CE00645A","","","0.71073","MoKα","","0.0412","0.0303","","","0.0679","0.0758","","","","","","0.988","","","","has coordinates","223567","2020-10-21","18:00:00",""
"7233425","12.6301","0.0005","8.1303","0.0003","15.8162","0.0006","90","","106.549","0.002","90","","1556.83","0.1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-amino-5,7-difluoroquinoline 18-crown-6, associate 2:1","","- C30 H36 F4 N4 O6 -","- C30 H36 F4 N4 O6 -","- C60 H72 F8 N8 O12 -","2","0.5","","Vaganova, Tamara A.; Gatilov, Yurij V.; Benassi, Enrico; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Impact of molecular packing rearrangement on solid-state fluorescence: polyhalogenated N-hetarylamines vs. their co-crystals with 18-crown-6","CrystEngComm","2019","21","39","5931","","10.1039/C9CE00645A","","","0.71073","MoKα","","0.0532","0.0404","","","0.1088","0.1224","","","","","","0.994","","","","has coordinates","223567","2020-10-21","18:00:00",""
"7233426","15.8794","0.0006","13.2887","0.0006","11.502","0.0004","90","","98.93","0.002","90","","2397.69","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N4-[(9-anthracenyl)methyl]-2,4-diamino-3,5,6-trifluoropyridine 18-crown-6, associate 2:1","","- C52 H52 F6 N6 O6 -","- C52 H52 F6 N6 O6 -","- C104 H104 F12 N12 O12 -","2","0.5","","Vaganova, Tamara A.; Gatilov, Yurij V.; Benassi, Enrico; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Impact of molecular packing rearrangement on solid-state fluorescence: polyhalogenated N-hetarylamines vs. their co-crystals with 18-crown-6","CrystEngComm","2019","21","39","5931","","10.1039/C9CE00645A","","","0.71073","MoKα","","0.0633","0.0445","","","0.1149","0.1398","","","","","","0.997","","","","has coordinates","223567","2020-10-21","18:00:00",""
"7233427","8.519","0.0008","12.8724","0.0013","15.611","0.0017","110.573","0.004","98.064","0.004","90.097","0.004","1584.5","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","N4-[(9-anthracenyl)methyl]-2,4-diamino-3,5,6-trifluoropyridine","","- C20 H14 F3 N3 -","- C20 H14 F3 N3 -","- C80 H56 F12 N12 -","4","2","","Vaganova, Tamara A.; Gatilov, Yurij V.; Benassi, Enrico; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Impact of molecular packing rearrangement on solid-state fluorescence: polyhalogenated N-hetarylamines vs. their co-crystals with 18-crown-6","CrystEngComm","2019","21","39","5931","","10.1039/C9CE00645A","","","0.71073","MoKα","","0.1526","0.0978","","","0.2388","0.2623","","","","","","0.913","","","","has coordinates","223567","2020-10-21","18:00:00",""
"7233428","19.2435","0.0008","9.9058","0.0004","17.6406","0.0008","90","","119.63","0.002","90","","2923","0.2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","4-amino-3,5-dichloro-2,6-difluoropyridine 18-crown-6, associate 2:1","","- C22 H28 Cl4 F4 N4 O6 -","- C22 H28 Cl4 F4 N4 O6 -","- C88 H112 Cl16 F16 N16 O24 -","4","0.5","","Vaganova, Tamara A.; Gatilov, Yurij V.; Benassi, Enrico; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Impact of molecular packing rearrangement on solid-state fluorescence: polyhalogenated N-hetarylamines vs. their co-crystals with 18-crown-6","CrystEngComm","2019","21","39","5931","","10.1039/C9CE00645A","","","0.71073","MoKα","","0.0665","0.0474","","","0.1205","0.1348","","","","","","0.989","","","","has coordinates","223567","2020-10-21","18:00:00",""
"7233429","22.3524","0.0011","8.0294","0.0003","16.3762","0.0008","90","","109.214","0.002","90","","2775.4","0.2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2-amino-4-chloro-3,5,6-trifluoropyridine 18-crown-6, associate 2:1","","- C22 H28 Cl2 F6 N4 O6 -","- C22 H28 Cl2 F6 N4 O6 -","- C88 H112 Cl8 F24 N16 O24 -","4","0.5","","Vaganova, Tamara A.; Gatilov, Yurij V.; Benassi, Enrico; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Impact of molecular packing rearrangement on solid-state fluorescence: polyhalogenated N-hetarylamines vs. their co-crystals with 18-crown-6","CrystEngComm","2019","21","39","5931","","10.1039/C9CE00645A","","","0.71073","MoKα","","0.0664","0.0435","","","0.1298","0.1627","","","","","","1.028","","","","has coordinates","223567","2020-10-21","18:00:00",""
"7233430","19.1536","0.001","9.583","0.0005","17.3666","0.0014","90","","118.714","0.002","90","","2795.6","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","4-amino-3-chloro-2,5,6-trifluoropyridine 18-crown-6, associate 2:1","","- C22 H28 Cl2 F6 N4 O6 -","- C22 H28 Cl2 F6 N4 O6 -","- C88 H112 Cl8 F24 N16 O24 -","4","0.5","","Vaganova, Tamara A.; Gatilov, Yurij V.; Benassi, Enrico; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Impact of molecular packing rearrangement on solid-state fluorescence: polyhalogenated N-hetarylamines vs. their co-crystals with 18-crown-6","CrystEngComm","2019","21","39","5931","","10.1039/C9CE00645A","","","0.71073","MoKα","","0.0634","0.0505","","","0.1389","0.1513","","","","","","1.074","","","","has coordinates,has disorder","223567","2020-10-21","18:00:00",""
"7233431","8.722","0.002","16.464","0.004","9.5","0.002","90","","100.139","0.009","90","","1342.9","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-amino-3,5,6-trifluoropyridine 18-crown-6, associate 2:1","","- C22 H30 F6 N4 O6 -","- C22 H30 F6 N4 O6 -","- C44 H60 F12 N8 O12 -","2","0.5","","Vaganova, Tamara A.; Gatilov, Yurij V.; Benassi, Enrico; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Impact of molecular packing rearrangement on solid-state fluorescence: polyhalogenated N-hetarylamines vs. their co-crystals with 18-crown-6","CrystEngComm","2019","21","39","5931","","10.1039/C9CE00645A","","","0.71073","MoKα","","0.0885","0.0521","","","0.1306","0.1626","","","","","","1.006","","","","has coordinates","223567","2020-10-21","18:00:00",""
"7233432","12.5421","0.0005","9.4386","0.0003","14.5435","0.0006","90","","106.472","0.002","90","","1651","0.11","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","7-amino-2-chloro-5,6,8-trifluoroquinoline 18-crown-6, associate 2:1","","- C30 H32 Cl2 F6 N4 O6 -","- C30 H32 Cl2 F6 N4 O6 -","- C60 H64 Cl4 F12 N8 O12 -","2","0.5","","Vaganova, Tamara A.; Gatilov, Yurij V.; Benassi, Enrico; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Impact of molecular packing rearrangement on solid-state fluorescence: polyhalogenated N-hetarylamines vs. their co-crystals with 18-crown-6","CrystEngComm","2019","21","39","5931","","10.1039/C9CE00645A","","","0.71073","MoKα","","0.0683","0.0519","","","0.1495","0.1726","","","","","","0.956","","","","has coordinates","223567","2020-10-21","18:00:00",""
"7233454","11.71","0.002","11.89","0.002","12.71","0.003","95.65","0.03","114.28","0.03","111.22","0.03","1438.7","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H24 Cu2 N6 O40 Si W12 -","- C30 H24 Cu2 N6 O40 Si W12 -","- C30 H24 Cu2 N6 O40 Si W12 -","1","0.5","","Sun, Xiaojuan; Zhang, Jie; Yuan, Xianzhi; Fu, Zhiyong","A silicotungstate-based copper‒viologen hybrid photocatalytic compound for efficient degradation of organic dyes under visible light","CrystEngComm","2019","21","37","5563","","10.1039/C9CE01075K","","","0.71073","MoKα","","0.1169","0.0992","","","0.2369","0.256","","","","","","1.053","","","","has coordinates","223498","2020-10-21","18:00:00",""
"7233455","9.337","0.0005","4.60528","0.00024","11.4184","0.0006","90","","82.134","0.005","90","","486.37","0.04","295","","295","","0.02","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.1376","","1.12","","","","","","","has coordinates","223570","2020-10-21","18:00:00",""
"7233456","9.3394","0.0007","4.57648","0.0003","11.3816","0.0007","90","","82.16","0.006","90","","481.92","0.06","295","","295","","0.36","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.1442","","0.96","","","","","","","has coordinates","223570","2020-10-21","18:00:00",""
"7233457","9.485","0.0005","3.70468","0.00011","12.9889","0.0007","90","","77.632","0.004","90","","445.82","0.04","295","","295","","0.9","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.0905","","1.593","","","","","","","has coordinates","223570","2020-10-21","18:00:00",""
"7233458","9.4444","0.0005","3.46902","0.00011","13.1315","0.0007","90","","77.318","0.004","90","","419.73","0.03","295","","295","","2.25","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.1113","","1.03","","","","","","","has coordinates","223570","2020-10-21","18:00:00",""
"7233459","9.4568","0.0004","3.51779","0.00009","13.1178","0.0006","90","","77.346","0.004","90","","425.79","0.03","295","","295","","1.87","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.0863","","1.824","","","","","","","has coordinates","223570","2020-10-21","18:00:00",""
"7233460","9.4526","0.0005","3.49778","0.00011","13.1229","0.0008","90","","77.341","0.005","90","","423.34","0.04","295","","295","","2.02","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.1134","","1.136","","","","","","","has coordinates","223570","2020-10-21","18:00:00",""
"7233461","9.338","0.0006","4.59377","0.00029","11.4034","0.0007","90","","82.154","0.006","90","","484.59","0.05","295","","295","","0.26","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.158","","0.934","","","","","","","has coordinates","223570","2020-10-21","18:00:00",""
"7233462","9.3429","0.0005","4.55499","0.00024","11.3567","0.0006","90","","82.183","0.005","90","","478.81","0.04","295","","295","","0.5","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.1224","","1.146","","","","","","","has coordinates","223570","2020-10-21","18:00:00",""
"7233463","9.4344","0.0005","3.44007","0.0001","13.1345","0.0007","90","","77.317","0.004","90","","415.88","0.03","295","","295","","2.53","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.0969","","1.069","","","","","","","has coordinates","223570","2020-10-21","18:00:00",""
"7233464","9.4644","0.0005","3.5503","0.00011","13.1017","0.0007","90","","77.388","0.004","90","","429.61","0.04","295","","295","","1.63","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.0949","","1","","","","","","","has coordinates","223570","2020-10-21","18:00:00",""
"7233465","9.4768","0.0005","3.61125","0.00013","13.0677","0.0008","90","","77.463","0.005","90","","436.55","0.04","295","","295","","1.31","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.0907","","1.057","","","","","","","has coordinates","223570","2020-10-21","18:00:00",""
"7233466","9.419","0.0005","3.39405","0.0001","13.1379","0.0007","90","","77.31","0.004","90","","409.74","0.03","295","","295","","3.04","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.077","","1.126","","","","","","","has coordinates","223570","2020-10-21","18:00:00",""
"7233467","9.4251","0.0005","3.41438","0.0001","13.1382","0.0007","90","","77.309","0.004","90","","412.47","0.03","295","","295","","2.81","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.0799","","1.009","","","","","","","has coordinates","223570","2020-10-21","18:00:00",""
"7233468","9.4033","0.0005","3.35415","0.0001","13.132","0.0007","90","","77.321","0.005","90","","404.08","0.03","295","","295","","3.57","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.0836","","1.062","","","","","","","has coordinates","223570","2020-10-21","18:00:00",""
"7233469","9.4113","0.0005","3.37412","0.0001","13.1358","0.0007","90","","77.317","0.004","90","","406.95","0.03","295","","295","","3.28","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.089","","1.008","","","","","","","has coordinates","223570","2020-10-21","18:00:00",""
"7233470","9.4872","0.0007","3.81402","0.00019","12.8589","0.001","90","","77.936","0.007","90","","455.02","0.06","295","","295","","0.62","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.1509","","1.495","","","","","","","has coordinates","223570","2020-10-21","18:00:00",""
"7233471","9.3926","0.0005","3.33285","0.0001","13.1269","0.0007","90","","77.329","0.005","90","","400.92","0.03","295","","295","","3.89","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.0904","","1.02","","","","","","","has coordinates","223570","2020-10-21","18:00:00",""
"7233472","9.3308","0.0008","4.6415","0.0004","11.4721","0.001","90","","82.069","0.006","90","","492.09","0.07","295","","295","","0","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.1352","","1.318","","","","","","","has coordinates","223570","2020-10-21","18:00:00",""
"7233473","9.3332","0.0008","4.6196","0.0004","11.4456","0.0009","90","","82.101","0.007","90","","488.8","0.07","295","","295","","0.1","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.1775","","1.0075","","","","","","","has coordinates","223570","2020-10-21","18:00:00",""
"7233474","13.2953","0.0004","8.1752","0.0003","17.7914","0.0006","90","","96.999","0.002","90","","1919.37","0.11","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Cl N O5 -","- C22 H22 Cl N O5 -","- C88 H88 Cl4 N4 O20 -","4","1","","Li, Meiqi; Li, Zhen; Wang, Jian-rong; Mei, Xuefeng","Hydrochromism behaviors of solid forms of chelerythrine hydrochloride","CrystEngComm","2019","21","39","5915","","10.1039/C9CE00933G","","","0.71073","MoKα","","0.0617","0.0422","","","0.1262","0.1439","","","","","","0.9605","","","","has coordinates","223566","2020-10-21","18:00:00",""
"7233475","28.9199","0.0009","7.3899","0.0002","18.0028","0.0006","90","","116.427","0.002","90","","3445.42","0.19","170","2","170","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H18 Cl N O4 -","- C21 H18 Cl N O4 -","- C168 H144 Cl8 N8 O32 -","8","1","","Li, Meiqi; Li, Zhen; Wang, Jian-rong; Mei, Xuefeng","Hydrochromism behaviors of solid forms of chelerythrine hydrochloride","CrystEngComm","2019","21","39","5915","","10.1039/C9CE00933G","","","0.71073","MoKα","","0.057","0.0406","","","0.1051","0.1155","","","","","","1.028","","","","has coordinates","223566","2020-10-21","18:00:00",""
"7233476","6.8891","0.0002","20.9101","0.0007","30.2189","0.0011","90","","90","","90","","4353.1","0.2","170","2","170","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H27 Cl N O8.5 -","- C21 H27 Cl N O8.5 -","- C168 H216 Cl8 N8 O68 -","8","2","","Li, Meiqi; Li, Zhen; Wang, Jian-rong; Mei, Xuefeng","Hydrochromism behaviors of solid forms of chelerythrine hydrochloride","CrystEngComm","2019","21","39","5915","","10.1039/C9CE00933G","","","0.71073","MoKα","","0.0798","0.0471","","","0.0942","0.1084","","","","","","1.007","","","","has coordinates","223566","2020-10-21","18:00:00",""
"7233523","6.6213","0.0013","15.81","0.003","16.409","0.003","90","","90","","90","","1717.7","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 F N3 O4 -","- C18 H20 F N3 O4 -","- C72 H80 F4 N12 O16 -","4","1","","Wei, Ning; Jia, Lina; Shang, Zeren; Gong, Junbo; Wu, Songgu; Wang, Jingkang; Tang, Weiwei","Polymorphism of levofloxacin: structure, properties and phase transformation","CrystEngComm","2019","21","41","6196","","10.1039/C9CE00847K","","","0.71073","MoKα","","0.1264","0.0784","","","0.1408","0.1596","","","","","","1.047","","","","has coordinates","223511","2020-10-21","18:00:00",""
"7233524","17.353","0.004","6.784","0.003","18.68","0.006","90","","105.31","0.03","90","","2121","1.3","113","2","113.15","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C20 H26 F N3 O6 -","- C20 H23 F N3 O6 -","- C80 H92 F4 N12 O24 -","4","1","","Wei, Ning; Jia, Lina; Shang, Zeren; Gong, Junbo; Wu, Songgu; Wang, Jingkang; Tang, Weiwei","Polymorphism of levofloxacin: structure, properties and phase transformation","CrystEngComm","2019","21","41","6196","","10.1039/C9CE00847K","","","0.71073","MoKα","","0.0983","0.0888","","","0.2529","0.2662","","","","","","1.049","","","","has coordinates,has disorder","223511","2020-10-21","18:00:00",""
"7233525","26.067","0.005","9.2924","0.0019","34.377","0.007","90","","94.22","0.03","90","","8304","3","128.15","","128.15","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C72 H80 F4 N12 O16 -","- C72 H80 F4 N12 O16 -","- C288 H320 F16 N48 O64 -","4","1","","Wei, Ning; Jia, Lina; Shang, Zeren; Gong, Junbo; Wu, Songgu; Wang, Jingkang; Tang, Weiwei","Polymorphism of levofloxacin: structure, properties and phase transformation","CrystEngComm","2019","21","41","6196","","10.1039/C9CE00847K","","","0.71073","MoKα","","0.1454","0.1109","","","0.2776","0.3122","","","","","","1.031","","","","has coordinates","223511","2020-10-21","18:00:00",""
"7233526","30.9411","0.0004","5.05534","0.00007","5.9564","0.00008","90","","90","","90","","931.69","0.02","293","","293.15","","","","","","","","mechanochemical synthesis","6","P 21 21 21","P 2ac 2ab","19","","Cadmium 3-fluorobenzylphosphonate","","- C7 H8 Cd F O4 P -","- C7 H8 Cd F O4 P -","- C28 H32 Cd4 F4 O16 P4 -","4","1","","Akhmetova, Irina; Beyer, Sebastian; Schutjajew, Konstantin; Tichter, Tim; Wilke, Manuel; Prinz, Carsten; Martins, Inês C. B.; Al-Sabbagh, Dominik; Roth, Christina; Emmerling, Franziska","Cadmium benzylphosphonates ‒ the close relationship between structure and properties","CrystEngComm","2019","21","39","5958","","10.1039/C9CE00776H","powder diffraction","x-ray","0.7085","Synchrotron","","","","","","","","","0.0142","2.70733","","","","","","","has coordinates","223564","2020-10-21","18:00:00",""
"7233527","6.00417","0.00009","32.3664","0.0005","5.10565","0.00008","90","","93.183","0.001","90","","990.67","0.03","293","","293.15","","","","","","","","mechanochemical synthesis","6","P 1 21/n 1","-P 2yn","14","","Cadmium 2,3,4,5,6-pentafluorobenzylphosphonate","","- C7 H4 Cd F5 O4 P -","- C7 H4 Cd F5 O4 P -","- C28 H16 Cd4 F20 O16 P4 -","4","1","","Akhmetova, Irina; Beyer, Sebastian; Schutjajew, Konstantin; Tichter, Tim; Wilke, Manuel; Prinz, Carsten; Martins, Inês C. B.; Al-Sabbagh, Dominik; Roth, Christina; Emmerling, Franziska","Cadmium benzylphosphonates ‒ the close relationship between structure and properties","CrystEngComm","2019","21","39","5958","","10.1039/C9CE00776H","powder diffraction","x-ray","0.7085","Synchrotron","","","","","","","","","0.0091","1.57337","","","","","","","has coordinates","223564","2020-10-21","18:00:00",""
"7233528","30.6727","0.0005","5.93558","0.00009","5.0541","0.00008","90","","90","","90","","920.15","0.03","293","","293.15","","","","","","","","mechanochemical synthesis","6","P 21 21 21","P 2ac 2ab","19","","","","- C7 H8 Cd F O4 P -","- C7 H8 Cd F O4 P -","- C28 H32 Cd4 F4 O16 P4 -","4","1","","Akhmetova, Irina; Beyer, Sebastian; Schutjajew, Konstantin; Tichter, Tim; Wilke, Manuel; Prinz, Carsten; Martins, Inês C. B.; Al-Sabbagh, Dominik; Roth, Christina; Emmerling, Franziska","Cadmium benzylphosphonates ‒ the close relationship between structure and properties","CrystEngComm","2019","21","39","5958","","10.1039/C9CE00776H","powder diffraction","x-ray","0.7085","Synchrotron","","","","","","","","","0.0198","3.42785","","","","","","","has coordinates","223564","2020-10-21","18:00:00",""
"7233529","30.388656","","5.045593","","5.93953","","90","","90","","90","","910.701","","293","","293","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C7 H9 Cd O4 P -","- C7 H9 Cd O4 P -","- C28 H36 Cd4 O16 P4 -","4","1","","Akhmetova, Irina; Beyer, Sebastian; Schutjajew, Konstantin; Tichter, Tim; Wilke, Manuel; Prinz, Carsten; Martins, Inês C. B.; Al-Sabbagh, Dominik; Roth, Christina; Emmerling, Franziska","Cadmium benzylphosphonates ‒ the close relationship between structure and properties","CrystEngComm","2019","21","39","5958","","10.1039/C9CE00776H","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","","0.0339","8.08334","","","","","","","has coordinates","223564","2020-10-21","18:00:00",""
"7233530","7.792","0.0007","14.2386","0.0013","7.9049","0.0007","90","","94.487","0.001","90","","874.34","0.14","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H32 N4 O6 -","- C12 H32 N4 O6 -","- C24 H64 N8 O12 -","2","1","","Navasardyan, Mger A.; Kuz'mina, Lyudmila G.; Churakov, Andrei V.","Unusual isomorphism in crystals of organic solvates with hydrazine and water","CrystEngComm","2019","21","38","5693","","10.1039/C9CE00978G","","","0.71073","MoKα","","0.0365","0.0317","","","0.0823","0.0858","","","","","","0.968","","","","has coordinates","223727","2020-10-21","18:00:00",""
"7233531","16.7939","0.0004","17.0018","0.0005","15.0341","0.0003","90","","90","","90","","4292.63","0.18","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C18 H42.8 N2.8 O2.1 -","- C18 H42.804 N2.804 O2.098 -","- C144 H342.432 N22.432 O16.784 -","8","1","","Navasardyan, Mger A.; Kuz'mina, Lyudmila G.; Churakov, Andrei V.","Unusual isomorphism in crystals of organic solvates with hydrazine and water","CrystEngComm","2019","21","38","5693","","10.1039/C9CE00978G","","","0.71073","MoKα","","0.0548","0.0481","","","0.1236","0.1295","","","","","","1.028","","","","has coordinates,has disorder","223727","2020-10-21","18:00:00",""
"7233532","16.8256","0.0005","17.1025","0.0005","15.0186","0.0005","90","","90","","90","","4321.7","0.2","120","2","120","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C18 H43 N3 O2 -","- C18 H43 N3 O2 -","- C144 H344 N24 O16 -","8","1","","Navasardyan, Mger A.; Kuz'mina, Lyudmila G.; Churakov, Andrei V.","Unusual isomorphism in crystals of organic solvates with hydrazine and water","CrystEngComm","2019","21","38","5693","","10.1039/C9CE00978G","","","0.71073","MoKα","","0.0521","0.0447","","","0.1163","0.1218","","","","","","1.026","","","","has coordinates","223727","2020-10-21","18:00:00",""
"7233566","10.9409","0.0012","15.4091","0.0017","23.902","0.003","91.577","0.001","100.609","0.001","110.048","0.001","3702.8","0.7","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C88 H160 Cd3 Cl12 La2 N48 O52 -","- C88 H104 Cd3 Cl12 La2 N48 O40 -","- C88 H104 Cd3 Cl12 La2 N48 O40 -","1","0.5","","Lin, Rui-Lian; Zhou, Jia-Jia; Zhou, Fu Hou; Sun, Wen-Qi; Liu, Jing-Xin; Chen, Kai","The lanthanide contraction effect and organic additives impact the coordination structures of lanthanide ions with symmetrical octamethyl-substituted cucurbit[6]uril ligands","CrystEngComm","2019","21","37","5641","","10.1039/C9CE00812H","","","0.71073","MoKα","","0.073","0.0622","","","0.1911","0.2036","","","","","","1.007","","","","has coordinates,has disorder","223496","2020-10-21","18:00:00",""
"7233567","12.023","0.006","12.837","0.006","13.44","0.006","79.253","0.006","64.689","0.007","81.772","0.007","1837.6","1.5","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H84 Cd2 Cl10 N24 Nd2 O28 -","- C44 H80 Cd2 Cl8 N24 Nd2 O27 -","- C44 H80 Cd2 Cl8 N24 Nd2 O27 -","1","0.5","","Lin, Rui-Lian; Zhou, Jia-Jia; Zhou, Fu Hou; Sun, Wen-Qi; Liu, Jing-Xin; Chen, Kai","The lanthanide contraction effect and organic additives impact the coordination structures of lanthanide ions with symmetrical octamethyl-substituted cucurbit[6]uril ligands","CrystEngComm","2019","21","37","5641","","10.1039/C9CE00812H","","","0.71073","MoKα","","0.1749","0.1368","","","0.4014","0.4402","","","","","","1.008","","","","has coordinates","223496","2020-10-21","18:00:00",""
"7233568","12.298","0.002","15.48","0.003","18.54","0.004","81.044","0.003","87.516","0.003","87.398","0.003","3480.5","1.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H78 Cd Cl5 Ho N24 O25 -","- C44 H52 Cd Cl5 Ho N24 O25 -","- C88 H104 Cd2 Cl10 Ho2 N48 O50 -","2","1","","Lin, Rui-Lian; Zhou, Jia-Jia; Zhou, Fu Hou; Sun, Wen-Qi; Liu, Jing-Xin; Chen, Kai","The lanthanide contraction effect and organic additives impact the coordination structures of lanthanide ions with symmetrical octamethyl-substituted cucurbit[6]uril ligands","CrystEngComm","2019","21","37","5641","","10.1039/C9CE00812H","","","0.71073","MoKα","","0.0921","0.0654","","","0.169","0.1914","","","","","","1.008","","","","has coordinates,has disorder","223496","2020-10-21","18:00:00",""
"7233569","11.786","0.004","12.205","0.004","16.776","0.008","109.814","0.007","101.083","0.007","104.474","0.005","2094.2","1.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H92 Cd2 Ce2 Cl8 N26 O38 -","- C44 H52 Cd2 Ce2 Cl8 N26 O34 -","- C44 H52 Cd2 Ce2 Cl8 N26 O34 -","1","0.5","","Lin, Rui-Lian; Zhou, Jia-Jia; Zhou, Fu Hou; Sun, Wen-Qi; Liu, Jing-Xin; Chen, Kai","The lanthanide contraction effect and organic additives impact the coordination structures of lanthanide ions with symmetrical octamethyl-substituted cucurbit[6]uril ligands","CrystEngComm","2019","21","37","5641","","10.1039/C9CE00812H","","","0.71073","MoKα","","0.0443","0.04","","","0.1254","0.1289","","","","","","1.006","","","","has coordinates","223496","2020-10-21","18:00:00",""
"7233570","15.4032","0.0016","17.4427","0.0018","18.5949","0.0019","112.95","0.001","100.91","0.001","97.578","0.002","4398.9","0.8","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C88 H204 Cd2 Cl16 N48 O74 Pr4 -","- C88 H104 Cd2 Cl12 N48 O54 Pr4 -","- C88 H104 Cd2 Cl12 N48 O54 Pr4 -","1","0.5","","Lin, Rui-Lian; Zhou, Jia-Jia; Zhou, Fu Hou; Sun, Wen-Qi; Liu, Jing-Xin; Chen, Kai","The lanthanide contraction effect and organic additives impact the coordination structures of lanthanide ions with symmetrical octamethyl-substituted cucurbit[6]uril ligands","CrystEngComm","2019","21","37","5641","","10.1039/C9CE00812H","","","0.71073","MoKα","","0.074","0.0518","","","0.1444","0.1568","","","","","","1.004","","","","has coordinates","223496","2020-10-21","18:00:00",""
"7233571","20.532","0.01","15.111","0.007","17.84","0.009","90","","122.546","0.005","90","","4666","4","296","2","296","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C56 H108 Cd2 Cl12 Ho2 N24 O38 -","- C56 H62 Cd2 Cl12 Ho2 N24 O26 -","- C112 H124 Cd4 Cl24 Ho4 N48 O52 -","2","0.25","","Lin, Rui-Lian; Zhou, Jia-Jia; Zhou, Fu Hou; Sun, Wen-Qi; Liu, Jing-Xin; Chen, Kai","The lanthanide contraction effect and organic additives impact the coordination structures of lanthanide ions with symmetrical octamethyl-substituted cucurbit[6]uril ligands","CrystEngComm","2019","21","37","5641","","10.1039/C9CE00812H","","","0.71073","MoKα","","0.1074","0.0733","","","0.1928","0.2162","","","","","","1.009","","","","has coordinates","223496","2020-10-21","18:00:00",""
"7233572","12.3061","0.0013","15.4709","0.0017","18.522","0.002","81.042","0.002","87.538","0.001","87.38","0.002","3477.4","0.6","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H80 Cd Cl5 Dy N24 O26 -","- C44 H52 Cd Cl5 Dy N24 O26 -","- C88 H104 Cd2 Cl10 Dy2 N48 O52 -","2","1","","Lin, Rui-Lian; Zhou, Jia-Jia; Zhou, Fu Hou; Sun, Wen-Qi; Liu, Jing-Xin; Chen, Kai","The lanthanide contraction effect and organic additives impact the coordination structures of lanthanide ions with symmetrical octamethyl-substituted cucurbit[6]uril ligands","CrystEngComm","2019","21","37","5641","","10.1039/C9CE00812H","","","0.71073","MoKα","","0.0888","0.0598","","","0.1523","0.1745","","","","","","1.008","","","","has coordinates","223496","2020-10-21","18:00:00",""
"7233573","12.3443","0.0015","15.456","0.0019","18.558","0.002","81.136","0.002","87.379","0.002","87.409","0.002","3492.2","0.7","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H78 Cd Cl5 Gd N24 O25 -","- C44 H52 Cd Cl5 Gd N24 O25 -","- C88 H104 Cd2 Cl10 Gd2 N48 O50 -","2","1","","Lin, Rui-Lian; Zhou, Jia-Jia; Zhou, Fu Hou; Sun, Wen-Qi; Liu, Jing-Xin; Chen, Kai","The lanthanide contraction effect and organic additives impact the coordination structures of lanthanide ions with symmetrical octamethyl-substituted cucurbit[6]uril ligands","CrystEngComm","2019","21","37","5641","","10.1039/C9CE00812H","","","0.71073","MoKα","","0.055","0.0468","","","0.1345","0.1432","","","","","","1.002","","","","has coordinates,has disorder","223496","2020-10-21","18:00:00",""
"7233574","15.3462","0.0015","17.3743","0.0017","18.4992","0.0018","112.402","0.001","100.568","0.001","98.219","0.001","4358.2","0.7","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C88 H220 Cd2 Cl16 Eu4 N48 O82 -","- C88 H104 Cd2 Cl12 Eu4 N48 O66 -","- C88 H104 Cd2 Cl12 Eu4 N48 O66 -","1","0.5","","Lin, Rui-Lian; Zhou, Jia-Jia; Zhou, Fu Hou; Sun, Wen-Qi; Liu, Jing-Xin; Chen, Kai","The lanthanide contraction effect and organic additives impact the coordination structures of lanthanide ions with symmetrical octamethyl-substituted cucurbit[6]uril ligands","CrystEngComm","2019","21","37","5641","","10.1039/C9CE00812H","","","0.71073","MoKα","","0.0504","0.0447","","","0.1532","0.1617","","","","","","1.007","","","","has coordinates","223496","2020-10-21","18:00:00",""
"7233575","12.438","0.004","15.506","0.005","18.489","0.006","80.79","0.004","87.654","0.004","87.463","0.004","3514","2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H52 Cd Cl4 N25 O26 Sm -","- C44 H52 Cd Cl4 N25 O26 Sm -","- C88 H104 Cd2 Cl8 N50 O52 Sm2 -","2","1","","Lin, Rui-Lian; Zhou, Jia-Jia; Zhou, Fu Hou; Sun, Wen-Qi; Liu, Jing-Xin; Chen, Kai","The lanthanide contraction effect and organic additives impact the coordination structures of lanthanide ions with symmetrical octamethyl-substituted cucurbit[6]uril ligands","CrystEngComm","2019","21","37","5641","","10.1039/C9CE00812H","","","0.71073","MoKα","","0.0962","0.0674","","","0.1931","0.2264","","","","","","1.013","","","","has coordinates","223496","2020-10-21","18:00:00",""
"7233613","10.0281","0.0006","10.0845","0.0005","13.1425","0.0007","75.763","0.005","68.657","0.005","65.46","0.005","1119.04","0.12","290","","290","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 Ni3 O20 -","- C18 H22 Ni3 O20 -","- C36 H44 Ni6 O40 -","2","1","","Zhai, Zhi-Min; Yang, Xiao-Gang; Yang, Zhao-Tong; Lu, Xiao-Min; Ma, Lu-Fang","Trinuclear Ni(ii) oriented highly dense packing and π-conjugation degree of metal‒organic frameworks for efficient water oxidation","CrystEngComm","2019","21","39","5862","","10.1039/C9CE00944B","","x-ray","0.71073","MoKα","","0.0568","0.0507","","","0.1367","0.1451","","","","","","1.049","","","","has coordinates","223569","2020-10-21","18:00:00",""
"7233614","6.96425","0.00019","7.8107","0.0002","23.7211","0.0007","90","","98.44","0.003","90","","1276.35","0.06","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H16 N2 O5 -","- C11 H16 N2 O5 -","- C44 H64 N8 O20 -","4","1","","Croitor, Lilia; Petric, Mihaela F.; Szerb, Elisabeta I.; Vlase, Gabriela; Bourosh, Paulina N.; Chumakov, Yurii M.; Crisan, Manuela E.","The role of 4-nitrobenzoic acid polymorphs in the crystallization process of organic acid‒base multicomponent systems","CrystEngComm","2019","21","40","6038","","10.1039/C9CE01239G","","","0.71073","MoKα","","0.061","0.0485","","","0.142","0.1548","","","","","","1.007","","","","has coordinates","223627","2020-10-21","18:00:00",""
"7233619","4.8518","0.0003","8.1747","0.0005","6.8142","0.0004","90","","105.468","0.001","90","","260.48","0.03","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- H2 O6 P2 Ti -","- H2 O6 P2 Ti -","- H4 O12 P4 Ti2 -","2","0.5","","Wu, Junbiao; Lou, Luqi; Liu, Hang; Su, Tan; Wang, Zhuopeng; Li, Jiyang","Ionothermal synthesis of a photoelectroactive titanophosphite with a three-dimensional open-framework","CrystEngComm","2019","21","39","5867","","10.1039/C9CE01007F","","","0.71073","MoKα","","0.0249","0.0233","","","0.0672","0.0681","","","","","","1.16","","","","has coordinates","223565","2020-10-21","18:00:00",""
"7233657","18.4224","0.0008","16.1333","0.0009","21.6118","0.0012","90","","103.12","0.005","90","","6255.7","0.6","293","","293","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H22 F6 Gd N O7 S2 -","- C28 H22 F6 Gd N O7 S2 -","- C224 H176 F48 Gd8 N8 O56 S16 -","8","1","","Xu, Yuan-Yi; Chen, Peng; Gao, Ting; Li, Hong-Feng; Yan, Peng-Fei","Improved luminescence properties by the self-assembly of lanthanide compounds with a 1-D chain structure for the sensing of CH3COOH and toxic HS− anions","CrystEngComm","2019","21","39","5965","","10.1039/C9CE01077G","","","0.71073","MoKα","","0.0882","0.0602","","","0.1442","0.1567","","","","","","1.114","","","","has coordinates","223571","2020-10-21","18:00:00",""
"7233697","11.9203","0.0007","19.9475","0.0011","7.7761","0.0004","90","","103.949","0.003","90","","1794.48","0.17","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Coordination compound","","","- C13 H12 N6 O6 Pb S -","- C13 H12 N6 O6 Pb S -","- C52 H48 N24 O24 Pb4 S4 -","4","1","","Velásquez, Juan D.; Mahmoudi, Ghodrat; Zangrando, Ennio; Gurbanov, Atash V.; Zubkov, Fedor I.; Zorlu, Yunus; Masoudiasl, Ardavan; Echeverría, Jorge","Experimental and theoretical study of Pb⋯S and Pb⋯O σ-hole interactions in the crystal structures of Pb(ii) complexes","CrystEngComm","2019","21","40","6018","","10.1039/C9CE00959K","","","0.71073","MoKα","","0.0252","0.0214","","","0.0504","0.0523","","","","","","1.025","","","","has coordinates","223625","2020-10-21","18:00:00",""
"7233698","37.25","0.005","5.0731","0.0006","22.594","0.003","90","","110.797","0.014","90","","3991.5","1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Coordination Compound","","","- C19 H15 N5 O3 Pb S -","- C19 H15 N5 O3 Pb S -","- C152 H120 N40 O24 Pb8 S8 -","8","1","","Velásquez, Juan D.; Mahmoudi, Ghodrat; Zangrando, Ennio; Gurbanov, Atash V.; Zubkov, Fedor I.; Zorlu, Yunus; Masoudiasl, Ardavan; Echeverría, Jorge","Experimental and theoretical study of Pb⋯S and Pb⋯O σ-hole interactions in the crystal structures of Pb(ii) complexes","CrystEngComm","2019","21","40","6018","","10.1039/C9CE00959K","","","0.71073","MoKα","","0.0378","0.0287","","","0.0555","0.0582","","","","","","1.042","","","","has coordinates","223625","2020-10-21","18:00:00",""
"7233723","10.1159","0.0005","13.148","0.0005","16.2911","0.0006","80.81","0.003","84.854","0.004","68.526","0.004","1989.34","0.15","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C36 H66 B Cl F4 N2 O2 P2 Ru -","- C36 H66 B Cl F4 N2 O2 P2 Ru -","- C72 H132 B2 Cl2 F8 N4 O4 P4 Ru2 -","2","1","","Schaniel, Dominik; Casaretto, Nicolas; Bendeif, El-Eulmi; Woike, Theo; Gallien, Anna K. E.; Klüfers, Peter; Kutniewska, Sylwia E.; Kamiński, Radosław; Bouchez, Guillaume; Boukheddaden, Kamel; Pillet, Sébastien","Evidence for a photoinduced isonitrosyl isomer in ruthenium dinitrosyl compounds","CrystEngComm","2019","21","38","5804","","10.1039/C9CE01119F","","","0.71073","MoKα","","0.0425","0.0337","","","0.0719","0.077","","","","","","1.083","","","","has coordinates,has disorder","223728","2020-10-21","18:00:00",""
"7233724","3.789","0.0002","12.3018","0.0009","13.8689","0.0009","91.145","0.006","91.064","0.005","92.337","0.005","645.66","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","N-methylpyridinium tetrabromosemiquinonate acetone solvate","","- C21 H9 Br8 N2 O5 -","- C21 H9 Br8 N2 O5 -","- C21 H9 Br8 N2 O5 -","1","0.5","","Molcanov, Kresimir; Milasinovic, Valentina; Ivic, Nives; Stilinović, Vladimir; Kolaric, Dinko; Kojic-Prodic, Biserka","Influence of organic cations on stacking of semiquinone radical anions","CrystEngComm","2019","","","","","10.1039/C9CE00919A","","","1.54184","CuKα","","0.0373","0.0344","","","","0.094","","","","","","1.062","","","","has coordinates","218107","2020-10-21","18:00:00",""
"7233725","7.17","0.0001","15.3896","0.0003","11.7282","0.0002","90","","101.627","0.002","90","","1267.57","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H7 Cl4 N2 O2 -","- C11 H7 Cl4 N2 O2 -","- C44 H28 Cl16 N8 O8 -","4","1","","Molcanov, Kresimir; Milasinovic, Valentina; Ivic, Nives; Stilinović, Vladimir; Kolaric, Dinko; Kojic-Prodic, Biserka","Influence of organic cations on stacking of semiquinone radical anions","CrystEngComm","2019","","","","","10.1039/C9CE00919A","","","1.54179","CuKα","","0.0466","0.0433","","","","0.1279","","","","","","1.071","","","","has coordinates","218107","2020-10-21","18:00:00",""
"7233726","7.1294","0.0004","9.5042","0.0008","11.0035","0.0009","106.258","0.007","91.624","0.006","106.085","0.006","683.2","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H9 Cl4 N2 O2 -","- C12 H9 Cl4 N2 O2 -","- C24 H18 Cl8 N4 O4 -","2","1","","Molcanov, Kresimir; Milasinovic, Valentina; Ivic, Nives; Stilinović, Vladimir; Kolaric, Dinko; Kojic-Prodic, Biserka","Influence of organic cations on stacking of semiquinone radical anions","CrystEngComm","2019","","","","","10.1039/C9CE00919A","","","1.54184","CuKα","","0.056","0.0521","","","","0.1619","","","","","","1.072","","","","has coordinates","218107","2020-10-21","18:00:00",""
"7233727","18.7356","0.0012","7.1485","0.0008","21.1647","0.0018","90","","102.602","0.008","90","","2766.3","0.4","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C12 H9 Cl4 N2 O2 -","- C12 H9 Cl4 N2 O2 -","- C96 H72 Cl32 N16 O16 -","8","1","","Molcanov, Kresimir; Milasinovic, Valentina; Ivic, Nives; Stilinović, Vladimir; Kolaric, Dinko; Kojic-Prodic, Biserka","Influence of organic cations on stacking of semiquinone radical anions","CrystEngComm","2019","","","","","10.1039/C9CE00919A","","","1.54184","CuKα","","0.0871","0.0683","","","","0.2296","","","","","","1.101","","","","has coordinates","218107","2020-10-21","18:00:00",""
"7233728","9.6014","0.0005","10.0218","0.0006","10.7402","0.0006","66.219","0.005","72.013","0.005","89.522","0.005","891.44","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H9 Cl6 Cu0 N2 O3 -","- C15 H9 Cl6 N2 O3 -","- C30 H18 Cl12 N4 O6 -","2","1","","Molcanov, Kresimir; Milasinovic, Valentina; Ivic, Nives; Stilinović, Vladimir; Kolaric, Dinko; Kojic-Prodic, Biserka","Influence of organic cations on stacking of semiquinone radical anions","CrystEngComm","2019","","","","","10.1039/C9CE00919A","","","1.54184","CuKα","","0.0597","0.0574","","","","0.177","","","","","","1.07","","","","has coordinates","218107","2020-10-21","18:00:00",""
"7233729","9.5672","0.0005","10.4858","0.0006","18.7361","0.0009","82.1","0.004","77.722","0.004","72.784","0.005","1748.72","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H20 Cl10 N2 O9 -","- C31 H20 Cl10 N2 O9 -","- C62 H40 Cl20 N4 O18 -","2","1","","Molcanov, Kresimir; Milasinovic, Valentina; Ivic, Nives; Stilinović, Vladimir; Kolaric, Dinko; Kojic-Prodic, Biserka","Influence of organic cations on stacking of semiquinone radical anions","CrystEngComm","2019","","","","","10.1039/C9CE00919A","","","1.54179","CuKα","","0.0742","0.0637","","","","0.1969","","","","","","1.054","","","","has coordinates","218107","2020-10-21","18:00:00",""
"7233730","18.5984","0.0005","18.6075","0.0005","3.9545","0.0001","90","","90","","90","","1368.53","0.06","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C11 H7 Br4 N2 O2 -","- C11 H7 Br4 N2 O2 -","- C44 H28 Br16 N8 O8 -","4","0.5","","Molcanov, Kresimir; Milasinovic, Valentina; Ivic, Nives; Stilinović, Vladimir; Kolaric, Dinko; Kojic-Prodic, Biserka","Influence of organic cations on stacking of semiquinone radical anions","CrystEngComm","2019","","","","","10.1039/C9CE00919A","","","1.54179","CuKα","","0.0254","0.0243","","","","0.0641","","","","","","1.049","","","","has coordinates","218107","2020-10-21","18:00:00",""
"7233753","10.0899","0.0007","7.744","0.0005","13.7323","0.0009","90","","110.922","0.002","90","","1002.24","0.12","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H4 N10 O5 -","- C4 H4 N10 O5 -","- C16 H16 N40 O20 -","4","1","","Liu, Yang; Xu, Yuangang; Sun, Qi; Lu, Ming","Energetic furazan‒triazoles with high thermal stability and low sensitivity: facile synthesis, crystal structures and energetic properties","CrystEngComm","2019","21","40","6093","","10.1039/C9CE01336A","","","0.71073","MoKα","","0.043","0.0367","","","0.0942","0.0978","","","","","","1.047","","","","has coordinates","223628","2020-10-21","18:00:00",""
"7233754","18.7451","0.0009","7.3716","0.0004","14.7077","0.0006","90","","110.501","0.001","90","","1903.61","0.16","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C4 H8 N10 O3 -","- C4 H8 N10 O3 -","- C32 H64 N80 O24 -","8","1","","Liu, Yang; Xu, Yuangang; Sun, Qi; Lu, Ming","Energetic furazan‒triazoles with high thermal stability and low sensitivity: facile synthesis, crystal structures and energetic properties","CrystEngComm","2019","21","40","6093","","10.1039/C9CE01336A","","","0.71073","MoKα","","0.0597","0.0479","","","0.1314","0.1393","","","","","","1.038","","","","has coordinates","223628","2020-10-21","18:00:00",""
"7233755","9.0312","0.0004","18.6286","0.0007","6.5567","0.0003","90","","96.737","0.002","90","","1095.47","0.08","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H11 N11 O4 -","- C4 H11 N11 O4 -","- C16 H44 N44 O16 -","4","1","","Liu, Yang; Xu, Yuangang; Sun, Qi; Lu, Ming","Energetic furazan‒triazoles with high thermal stability and low sensitivity: facile synthesis, crystal structures and energetic properties","CrystEngComm","2019","21","40","6093","","10.1039/C9CE01336A","","","0.71073","MoKα","","0.0634","0.0495","","","0.1327","0.1411","","","","","","1.062","","","","has coordinates","223628","2020-10-21","18:00:00",""
"7233756","14.26","0.002","4.9236","0.0007","17.854","0.002","90","","103.382","0.004","90","","1219.5","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H10 N12 O5 -","- C4 H10 N12 O5 -","- C16 H40 N48 O20 -","4","1","","Liu, Yang; Xu, Yuangang; Sun, Qi; Lu, Ming","Energetic furazan‒triazoles with high thermal stability and low sensitivity: facile synthesis, crystal structures and energetic properties","CrystEngComm","2019","21","40","6093","","10.1039/C9CE01336A","","","0.71073","MoKα","","0.069","0.044","","","0.1081","0.1201","","","","","","1.041","","","","has coordinates","223628","2020-10-21","18:00:00",""
"7233757","14.9662","0.0007","13.9304","0.0008","13.3293","0.0005","90","","96.927","0.004","90","","2758.7","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H8 N4 O4 Zn -","- C14 H8 N4 O4 Zn -","- C112 H64 N32 O32 Zn8 -","8","1","","Deng, Liming; Zhang, Yaowen; Zhang, Dan; Jiao, Shaoshao; Xu, Jixiang; Liu, Kang; Wang, Lei","Two exceptionally stable luminescent MOFs for the selective and sensitive detection of Fe3+ ions in aqueous solution","CrystEngComm","2019","21","40","6056","","10.1039/C9CE01166H","","","0.7107","MoKα","","0.0456","0.0349","","","0.0794","0.085","","","","","","1.049","","","","has coordinates","223626","2020-10-21","18:00:00",""
"7233758","4.913","0.001","13.234","0.003","10.065","0.002","90","","98.83","0.03","90","","646.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 Cd N4 O4 -","- C14 H8 Cd N4 O4 -","- C28 H16 Cd2 N8 O8 -","2","0.5","","Deng, Liming; Zhang, Yaowen; Zhang, Dan; Jiao, Shaoshao; Xu, Jixiang; Liu, Kang; Wang, Lei","Two exceptionally stable luminescent MOFs for the selective and sensitive detection of Fe3+ ions in aqueous solution","CrystEngComm","2019","21","40","6056","","10.1039/C9CE01166H","","","0.71073","MoKα","","0.0218","0.0187","","","0.0424","0.0436","","","","","","1.131","","","","has coordinates","223626","2020-10-21","18:00:00",""
"7233759","14.251","0.002","13.399","0.002","14.6369","0.0019","90","","93.001","0.011","90","","2791.1","0.7","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 Cu N4 O5 -","- C16 H12 Cu N4 O5 -","- C64 H48 Cu4 N16 O20 -","4","1","","Erhart, Oliver; Georgiev, Peter A.; Krautscheid, Harald","Desolvation process in the flexible metal‒organic framework [Cu(Me-4py-trz-ia)], adsorption of dihydrogen and related structure responses","CrystEngComm","2019","21","43","6523","","10.1039/C9CE00992B","","","0.71073","MoKα","","0.0616","0.0324","","","0.0699","0.074","","","","","","0.827","","","","has coordinates","223536","2020-10-21","18:00:00",""
"7233760","13.5518","0.0004","13.9161","0.0004","14.8283","0.0004","90","","90.716","0.003","90","","2796.22","0.14","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 Cu N4 O4 -","- C16 H10 Cu N4 O4 -","- C64 H40 Cu4 N16 O16 -","4","1","","Erhart, Oliver; Georgiev, Peter A.; Krautscheid, Harald","Desolvation process in the flexible metal‒organic framework [Cu(Me-4py-trz-ia)], adsorption of dihydrogen and related structure responses","CrystEngComm","2019","21","43","6523","","10.1039/C9CE00992B","","","1.54186","CuKα","","0.0734","0.0593","","","0.1684","0.1772","","","","","","1.062","","","","has coordinates","223536","2020-10-21","18:00:00",""
"7233761","13.7136","0.0004","13.227","0.0005","15.1795","0.0005","90","","93.415","0.003","90","","2748.52","0.16","150","2","150","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C33 H24 Cu2 N8 O9 -","- C33 H24 Cu2 N8 O9 -","- C66 H48 Cu4 N16 O18 -","2","1","","Erhart, Oliver; Georgiev, Peter A.; Krautscheid, Harald","Desolvation process in the flexible metal‒organic framework [Cu(Me-4py-trz-ia)], adsorption of dihydrogen and related structure responses","CrystEngComm","2019","21","43","6523","","10.1039/C9CE00992B","","","1.54186","CuKα","","0.0593","0.044","","","0.1121","0.1166","","","","","","0.963","","","","has coordinates","223536","2020-10-21","18:00:00",""
"7233762","13.8663","0.0004","13.235","0.0004","15.0241","0.0004","90","","93.199","0.002","90","","2752.93","0.14","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 Cu N4 O5 -","- C16 H12 Cu N4 O5 -","- C64 H48 Cu4 N16 O20 -","4","1","","Erhart, Oliver; Georgiev, Peter A.; Krautscheid, Harald","Desolvation process in the flexible metal‒organic framework [Cu(Me-4py-trz-ia)], adsorption of dihydrogen and related structure responses","CrystEngComm","2019","21","43","6523","","10.1039/C9CE00992B","","","1.54186","CuKα","","0.0725","0.0556","","","0.1906","0.1966","","","","","","1.122","","","","has coordinates","223536","2020-10-21","18:00:00",""
"7233763","14.5493","0.0003","11.93948","0.00014","14.1517","0.0003","90","","93.6939","0.0005","90","","2453.2","0.08","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H20 Cu2 N8 O10 -","- C32 H20 Cu2 N8 O10 -","- C64 H40 Cu4 N16 O20 -","2","1","","Erhart, Oliver; Georgiev, Peter A.; Krautscheid, Harald","Desolvation process in the flexible metal‒organic framework [Cu(Me-4py-trz-ia)], adsorption of dihydrogen and related structure responses","CrystEngComm","2019","21","43","6523","","10.1039/C9CE00992B","powder diffraction","","1.5406","","","","","","","","","","","5.08","","","","","","","has coordinates","223536","2020-10-21","18:00:00",""
"7233815","8.2278","0.0006","9.2785","0.0008","11.296","0.0011","83.923","0.007","78.995","0.007","84.363","0.006","839.05","0.13","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H14 Ag N2 O2 -","- C20 H14 Ag N2 O2 -","- C40 H28 Ag2 N4 O4 -","2","1","","Liu, Wei; Chen, Cong-Cong; Mao, Ling-Ling; Wu, Si-Guo; Wang, Long-Fei; Tong, Ming-Liang","Tuning the net topology of a ternary Ag(i)-1,2,4,5-tetra(4-pyridyl)benzene-carboxylate framework: structures and photoluminescence","CrystEngComm","2019","21","42","6446","","10.1039/C9CE01155B","","","0.71073","MoKα","","0.0434","0.0377","","","0.0874","0.0907","","","","","","1.061","","","","has coordinates","223557","2020-10-21","18:00:00",""
"7233816","13.8004","0.0006","17.5129","0.0006","18.766","0.0008","67.675","0.004","76.215","0.004","68.734","0.004","3883.2","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C129 H93 Ag6 N19 O14 -","- C129 H93 Ag6 N19 O14 -","- C129 H93 Ag6 N19 O14 -","1","0.5","","Liu, Wei; Chen, Cong-Cong; Mao, Ling-Ling; Wu, Si-Guo; Wang, Long-Fei; Tong, Ming-Liang","Tuning the net topology of a ternary Ag(i)-1,2,4,5-tetra(4-pyridyl)benzene-carboxylate framework: structures and photoluminescence","CrystEngComm","2019","21","42","6446","","10.1039/C9CE01155B","","","0.71073","MoKα","","0.1123","0.0688","","","0.1516","0.1681","","","","","","1.024","","","","has coordinates","223557","2020-10-21","18:00:00",""
"7233817","18.1253","0.0007","19.3124","0.001","10.47","0.0004","90","","112.624","0.001","90","","3382.9","0.3","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C36 H34 Ag2 N4 O8 -","- C36 H34 Ag2 N4 O8 -","- C144 H136 Ag8 N16 O32 -","4","1","","Liu, Wei; Chen, Cong-Cong; Mao, Ling-Ling; Wu, Si-Guo; Wang, Long-Fei; Tong, Ming-Liang","Tuning the net topology of a ternary Ag(i)-1,2,4,5-tetra(4-pyridyl)benzene-carboxylate framework: structures and photoluminescence","CrystEngComm","2019","21","42","6446","","10.1039/C9CE01155B","","","0.71073","MoKα","","0.0478","0.0386","","","0.0848","0.0907","","","","","","1.041","","","","has coordinates","223557","2020-10-21","18:00:00",""
"7233818","12.357","0.002","13.694","0.002","14.489","0.002","90","","99.674","0.003","90","","2416.9","0.6","298.2","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 Cd N2 O7 -","- C17 H14 Cd N2 O7 -","- C68 H56 Cd4 N8 O28 -","4","1","","Liu, Qian-Qian; Yue, Ke-Fen; Weng, Xian-Jun; Wang, Yao-Yu","Luminescence sensing and supercapacitor performances of a new (3,3)-connected Cd-MOF","CrystEngComm","2019","21","41","6186","","10.1039/C9CE01087D","","","0.71073","MoKα","","0.0575","0.0452","","","0.1279","0.1348","","","","","","1.037","","","","has coordinates","223506","2020-10-21","18:00:00",""
"7233842","7.909","0.003","17.113","0.006","8.049","0.003","90","","90","","90","","1089.4","0.7","293","2","293","2","","","","","","","","5","P m n a","-P 2ac 2","53","","","","- C H8 Cl N3 O -","- C H8 Cl N3 O -","- C8 H64 Cl8 N24 O8 -","8","1","","Wang, Ya; Han, Jian; Tudi, Abudukadi; Zhang, Zhizhong; Yang, Zhihua; Pan, Shilie","CO(NH2)2·NH4Cl: an ultraviolet birefringent material with conjugated CO groups","CrystEngComm","2019","21","40","6072","","10.1039/C9CE01350D","","","0.71073","MoKα","","","0.0448","","","0.1213","0.1396","","","","","","1.049","","","","has coordinates","223630","2020-10-21","18:00:00",""
"7233844","8.3805","0.0017","4.9153","0.001","23.694","0.005","90","","98.21","0.03","90","","966","0.4","153","2","153.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C5 H6 N10 O4 -","- C5 H6 N10 O4 -","- C20 H24 N40 O16 -","4","1","","Wang, Yanna; Yang, Xiaoming; Zhang, Weijing; Li, Haibo; Li, Zhimin; Wang, Lin; Zhang, Tonglai","Energetic transition metal salts of 5,5′-dinitramino-3,3′-methylene-1H-1,2,4-bistriazole: syntheses, structures and properties","CrystEngComm","2019","21","42","6452","","10.1039/C9CE01158G","","","0.71073","MoKα","","0.1729","0.1342","","","0.2124","0.2317","","","","","","1.237","","","","has coordinates","223555","2020-10-21","18:00:00",""
"7233845","9.916","0.002","14.765","0.003","11.093","0.002","90","","90","","90","","1624.1","0.5","153","2","153.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H16 Cd N10 O10 -","- C5 H16 Cd N10 O10 -","- C20 H64 Cd4 N40 O40 -","4","0.5","","Wang, Yanna; Yang, Xiaoming; Zhang, Weijing; Li, Haibo; Li, Zhimin; Wang, Lin; Zhang, Tonglai","Energetic transition metal salts of 5,5′-dinitramino-3,3′-methylene-1H-1,2,4-bistriazole: syntheses, structures and properties","CrystEngComm","2019","21","42","6452","","10.1039/C9CE01158G","","","0.71073","MoKα","","0.0805","0.0684","","","0.101","0.1054","","","","","","1.289","","","","has coordinates,has disorder","223555","2020-10-21","18:00:00",""
"7233846","9.826","0.002","14.671","0.003","10.946","0.002","90","","90","","90","","1577.9","0.5","153","2","153.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H16 Co N10 O10 -","- C5 H16 Co N10 O10 -","- C20 H64 Co4 N40 O40 -","4","0.5","","Wang, Yanna; Yang, Xiaoming; Zhang, Weijing; Li, Haibo; Li, Zhimin; Wang, Lin; Zhang, Tonglai","Energetic transition metal salts of 5,5′-dinitramino-3,3′-methylene-1H-1,2,4-bistriazole: syntheses, structures and properties","CrystEngComm","2019","21","42","6452","","10.1039/C9CE01158G","","","0.71073","MoKα","","0.0396","0.0385","","","0.0937","0.0945","","","","","","1.069","","","","has coordinates","223555","2020-10-21","18:00:00",""
"7233847","9.775","0.002","14.662","0.003","11.057","0.002","90","","90","","90","","1584.7","0.5","163","2","163.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H16 N10 O10 Zn -","- C5 H16 N10 O10 Zn -","- C20 H64 N40 O40 Zn4 -","4","0.5","","Wang, Yanna; Yang, Xiaoming; Zhang, Weijing; Li, Haibo; Li, Zhimin; Wang, Lin; Zhang, Tonglai","Energetic transition metal salts of 5,5′-dinitramino-3,3′-methylene-1H-1,2,4-bistriazole: syntheses, structures and properties","CrystEngComm","2019","21","42","6452","","10.1039/C9CE01158G","","","0.71073","MoKα","","0.0484","0.0437","","","0.0971","0.1003","","","","","","1.121","","","","has coordinates,has disorder","223555","2020-10-21","18:00:00",""
"7233848","9.6991","0.0019","14.573","0.003","11.082","0.002","90","","90","","90","","1566.4","0.5","153","2","153.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H16 N10 Ni O10 -","- C5 H16 N10 Ni O10 -","- C20 H64 N40 Ni4 O40 -","4","0.5","","Wang, Yanna; Yang, Xiaoming; Zhang, Weijing; Li, Haibo; Li, Zhimin; Wang, Lin; Zhang, Tonglai","Energetic transition metal salts of 5,5′-dinitramino-3,3′-methylene-1H-1,2,4-bistriazole: syntheses, structures and properties","CrystEngComm","2019","21","42","6452","","10.1039/C9CE01158G","","","0.71073","MoKα","","0.0427","0.04","","","0.0923","0.094","","","","","","1.107","","","","has coordinates,has disorder","223555","2020-10-21","18:00:00",""
"7233849","8.4366","0.0017","9.839","0.002","20.798","0.004","90","","90","","90","","1726.4","0.6","163","2","163.15","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C5 H18 Fe N10 O13 -","- C5 H18 Fe N10 O13 -","- C20 H72 Fe4 N40 O52 -","4","0.5","","Wang, Yanna; Yang, Xiaoming; Zhang, Weijing; Li, Haibo; Li, Zhimin; Wang, Lin; Zhang, Tonglai","Energetic transition metal salts of 5,5′-dinitramino-3,3′-methylene-1H-1,2,4-bistriazole: syntheses, structures and properties","CrystEngComm","2019","21","42","6452","","10.1039/C9CE01158G","","","0.71073","MoKα","","0.0395","0.0368","","","0.0864","0.0883","","","","","","1.103","","","","has coordinates","223555","2020-10-21","18:00:00",""
"7233875","9.874","0.005","17.314","0.007","19.651","0.014","90","","96.91","0.02","90","","3335","3","273","2","273","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C52 H80 Cl2 N6 Ni2 O12 Pb2 S4 -","- C52 H80 Cl2 N6 Ni2 O12 Pb2 S4 -","- C104 H160 Cl4 N12 Ni4 O24 Pb4 S8 -","2","0.5","","MIRDYA, SAIKAT; Frontera, Antonio; Chattopadhyay, Shouvik","Formation of a tetranuclear supramolecule via non-covalent Pb•••Cl tetrel bonding interaction in a hemidirected lead(II) complex with a nickel(II) containing metaloligand","CrystEngComm","2019","","","","","10.1039/C9CE01283D","","","0.71073","MoKα","","0.1159","0.0824","","","0.2367","0.2836","","","","","","1.069","","","","has coordinates","218325","2020-10-21","18:00:00",""
"7233876","8.4912","0.0011","12.7255","0.0016","16.048","0.002","98.133","0.001","91.069","0.001","99.479","0.001","1691.6","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H30 Cd N4 O6 -","- C40 H30 Cd N4 O6 -","- C80 H60 Cd2 N8 O12 -","2","1","","Yuan, Fei; Yuan, Chun-Mei; Zhou, Chun-Sheng; Qiao, Cheng-Fang; Lu, Lu; Ma, Ai-Qing; Singh, Ayushi; Kumar, Abhinav","Syntheses and photocatalytic properties of three new d10-based coordination polymers: effects of metal centres and ancillary ligands","CrystEngComm","2019","21","43","6558","","10.1039/C9CE01325C","","","0.71073","MoKα","","0.0422","0.0322","","","0.0903","0.1068","","","","","","1.04","","","","has coordinates","223543","2020-10-21","18:00:00",""
"7233877","11.1521","0.0004","12.0285","0.0005","23.5503","0.0007","77.262","0.003","76.994","0.003","76.727","0.003","2947.99","0.19","250","0.1","250","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C66 H50 N10 O12 Zn2 -","- C66 H50 N10 O12 Zn2 -","- C132 H100 N20 O24 Zn4 -","2","1","","Yuan, Fei; Yuan, Chun-Mei; Zhou, Chun-Sheng; Qiao, Cheng-Fang; Lu, Lu; Ma, Ai-Qing; Singh, Ayushi; Kumar, Abhinav","Syntheses and photocatalytic properties of three new d10-based coordination polymers: effects of metal centres and ancillary ligands","CrystEngComm","2019","21","43","6558","","10.1039/C9CE01325C","","x-ray","1.54184","CuKα","","0.0395","0.0332","","","0.0872","0.0928","","","","","","1.023","","","","has coordinates","223543","2020-10-21","18:00:00",""
"7233878","19.8075","0.0006","6.2207","0.0002","20.4492","0.0006","90","","98.035","0.003","90","","2494.94","0.13","236","50","236","50","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C27 H25 Cd N2 O7 -","- C27 H25 Cd N2 O7 -","- C108 H100 Cd4 N8 O28 -","4","1","","Yuan, Fei; Yuan, Chun-Mei; Zhou, Chun-Sheng; Qiao, Cheng-Fang; Lu, Lu; Ma, Ai-Qing; Singh, Ayushi; Kumar, Abhinav","Syntheses and photocatalytic properties of three new d10-based coordination polymers: effects of metal centres and ancillary ligands","CrystEngComm","2019","21","43","6558","","10.1039/C9CE01325C","","x-ray","1.54184","CuKα","","0.0337","0.029","","","0.0735","0.0772","","","","","","1.049","","","","has coordinates","223543","2020-10-21","18:00:00",""
"7233910","14.756","0.003","11.5471","0.0019","18.635","0.003","90","","92.357","0.004","90","","3172.5","1","133","2","133.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 Cl2 N2 O -","- C18 H12 Cl2 N2 O -","- C144 H96 Cl16 N16 O8 -","8","2","","Li, Zhonghua; Jia, Lina; Shi, Peng; Jiang, Shuang; Gong, Junbo; Wu, Songgu","Versatile solid forms of boscalid: insight into the crystal structures and phase transformations","CrystEngComm","2019","","","","","10.1039/C9CE00306A","","","0.71073","MoKα","","0.0871","0.0409","","","0.076","0.0881","","","","","","0.953","","","","has coordinates","218405","2020-10-21","18:00:00",""
"7233911","11.586","0.002","11.339","0.002","12.896","0.003","90","","114.59","0.03","90","","1540.5","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 Cl2 N2 O -","- C18 H12 Cl2 N2 O -","- C72 H48 Cl8 N8 O4 -","4","1","","Li, Zhonghua; Jia, Lina; Shi, Peng; Jiang, Shuang; Gong, Junbo; Wu, Songgu","Versatile solid forms of boscalid: insight into the crystal structures and phase transformations","CrystEngComm","2019","","","","","10.1039/C9CE00306A","","","0.71073","MoKα","","0.0667","0.0496","","","0.14","0.1513","","","","","","1.053","","","","has coordinates","218405","2020-10-21","18:00:00",""
"7233912","6.9355","0.0014","9.42","0.0019","13.62","0.003","104.22","0.03","98.12","0.03","93.71","0.03","849.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H14 Cl2 N2 O2 -","- C18 H14 Cl2 N2 O2 -","- C36 H28 Cl4 N4 O4 -","2","1","","Li, Zhonghua; Jia, Lina; Shi, Peng; Jiang, Shuang; Gong, Junbo; Wu, Songgu","Versatile solid forms of boscalid: insight into the crystal structures and phase transformations","CrystEngComm","2019","","","","","10.1039/C9CE00306A","","","0.71073","MoKα","","0.1433","0.0949","","","0.2673","0.2957","","","","","","1.085","","","","has coordinates","218405","2020-10-21","18:00:00",""
"7233913","9.7298","0.0019","10.184","0.002","12.954","0.003","107.11","0.03","104.35","0.03","106.29","0.03","1098.5","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H21 Cl2 N3 O2 -","- C23 H21 Cl2 N3 O2 -","- C46 H42 Cl4 N6 O4 -","2","1","","Li, Zhonghua; Jia, Lina; Shi, Peng; Jiang, Shuang; Gong, Junbo; Wu, Songgu","Versatile solid forms of boscalid: insight into the crystal structures and phase transformations","CrystEngComm","2019","","","","","10.1039/C9CE00306A","","","0.71073","MoKα","","0.0982","0.0808","","","0.2479","0.2656","","","","","","1.106","","","","has coordinates","218405","2020-10-21","18:00:00",""
"7233914","12.284","0.003","20.468","0.004","7.4983","0.0015","90","","96.21","0.03","90","","1874.2","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Cl2 N2 O2 -","- C20 H16 Cl2 N2 O2 -","- C80 H64 Cl8 N8 O8 -","4","1","","Li, Zhonghua; Jia, Lina; Shi, Peng; Jiang, Shuang; Gong, Junbo; Wu, Songgu","Versatile solid forms of boscalid: insight into the crystal structures and phase transformations","CrystEngComm","2019","","","","","10.1039/C9CE00306A","","","0.71073","MoKα","","0.1253","0.066","","","0.1016","0.1243","","","","","","1.054","","","","has coordinates","218405","2020-10-21","18:00:00",""
"7233915","37.821","0.009","5.6762","0.0013","18.699","0.005","90","","104.084","0.005","90","","3893.6","1.7","133","2","133.15","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C20 H18 Cl2 N2 O2 S -","- C20 H18 Cl2 N2 O2 S -","- C160 H144 Cl16 N16 O16 S8 -","8","2","","Li, Zhonghua; Jia, Lina; Shi, Peng; Jiang, Shuang; Gong, Junbo; Wu, Songgu","Versatile solid forms of boscalid: insight into the crystal structures and phase transformations","CrystEngComm","2019","","","","","10.1039/C9CE00306A","","","0.71073","MoKα","","0.0299","0.0273","","","0.0674","0.0687","","","","","","1.03","","","","has coordinates,has disorder","218405","2020-10-21","18:00:00",""
"7233916","19.6861","0.0019","4.7958","0.0004","25.169","0.002","90","","101.404","0.009","90","","2329.3","0.4","100","1","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Cl2 Hg N4 O2 -","- C24 H20 Cl2 Hg N4 O2 -","- C96 H80 Cl8 Hg4 N16 O8 -","4","1","","Hajiashrafi, Taraneh; Salehi, Shiva; Kubicki, Maciej; Bauzá, Antonio; Frontera, Antonio; Flanagan, Keith J.; Senge, Mathias O.","Solid-state supramolecular architectures of a series of Hg(ii) halide coordination compounds based on hydroxyl-substituted Schiff base ligands","CrystEngComm","2019","21","41","6301","","10.1039/C9CE01078E","","x-ray","0.71073","MoKα","","0.131","0.098","","","0.2655","0.2862","","","","","","1.066","","","","has coordinates","223510","2020-10-21","18:00:00",""
"7233917","17.5323","0.0006","3.8438","0.0001","34.5553","0.001","90","","100.079","0.003","90","","2292.77","0.12","130","1","130","1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C24 H22 Cl2 Hg N4 O3 -","- C24 H22 Cl2 Hg N4 O3 -","- C96 H88 Cl8 Hg4 N16 O12 -","4","0.5","","Hajiashrafi, Taraneh; Salehi, Shiva; Kubicki, Maciej; Bauzá, Antonio; Frontera, Antonio; Flanagan, Keith J.; Senge, Mathias O.","Solid-state supramolecular architectures of a series of Hg(ii) halide coordination compounds based on hydroxyl-substituted Schiff base ligands","CrystEngComm","2019","21","41","6301","","10.1039/C9CE01078E","","x-ray","0.71073","MoKα","","0.0243","0.0223","","","0.0559","0.0563","","","","","","1.128","","","","has coordinates","223510","2020-10-21","18:00:00",""
"7233918","4.931","0.00014","17.3546","0.0004","28.863","0.0008","90","","91.909","0.002","90","","2468.6","0.11","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 Br2 Hg N4 O2 -","- C24 H20 Br2 Hg N4 O2 -","- C96 H80 Br8 Hg4 N16 O8 -","4","1","","Hajiashrafi, Taraneh; Salehi, Shiva; Kubicki, Maciej; Bauzá, Antonio; Frontera, Antonio; Flanagan, Keith J.; Senge, Mathias O.","Solid-state supramolecular architectures of a series of Hg(ii) halide coordination compounds based on hydroxyl-substituted Schiff base ligands","CrystEngComm","2019","21","41","6301","","10.1039/C9CE01078E","","x-ray","0.71073","MoKα","","0.104","0.0833","","","0.1248","0.1302","","","","","","1.361","","","","has coordinates","223510","2020-10-21","18:00:00",""
"7233919","8.9772","0.0004","31.7959","0.0011","4.7115","0.0002","90","","90","","90","","1344.84","0.09","130","1","130","1","","","","","","","","6","P b a 2","P 2 -2ab","32","","","","- C26 H28 Br2 Hg N4 O4 -","- C26 H28 Br2 Hg N4 O4 -","- C52 H56 Br4 Hg2 N8 O8 -","2","0.5","","Hajiashrafi, Taraneh; Salehi, Shiva; Kubicki, Maciej; Bauzá, Antonio; Frontera, Antonio; Flanagan, Keith J.; Senge, Mathias O.","Solid-state supramolecular architectures of a series of Hg(ii) halide coordination compounds based on hydroxyl-substituted Schiff base ligands","CrystEngComm","2019","21","41","6301","","10.1039/C9CE01078E","","x-ray","0.71073","MoKα","","0.0432","0.0383","","","0.097","0.1011","","","","","","1.077","","","","has coordinates","223510","2020-10-21","18:00:00",""
"7233920","9.1791","0.0006","32.206","0.002","4.7036","0.0003","90","","90","","90","","1390.49","0.15","100","1","100","1","","","","","","","","6","P b a 2","P 2 -2ab","32","","","","- C26 H28 Hg I2 N4 O4 -","- C26 H28 Hg I2 N4 O4 -","- C52 H56 Hg2 I4 N8 O8 -","2","0.5","","Hajiashrafi, Taraneh; Salehi, Shiva; Kubicki, Maciej; Bauzá, Antonio; Frontera, Antonio; Flanagan, Keith J.; Senge, Mathias O.","Solid-state supramolecular architectures of a series of Hg(ii) halide coordination compounds based on hydroxyl-substituted Schiff base ligands","CrystEngComm","2019","21","41","6301","","10.1039/C9CE01078E","","x-ray","0.71073","MoKα","","0.0551","0.0451","","","0.0985","0.1041","","","","","","1.109","","","","has coordinates","223510","2020-10-21","18:00:00",""
"7233967","12.9559","0.0011","13.1179","0.0011","13.9892","0.0012","84.578","0.001","89.75","0.001","64.391","0.001","2132.6","0.3","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C60 H48 Cu5 Mo10 N16 O42 P V4 -","- C60 H48 Cu5 Mo10 N16 O42 P V4 -","- C60 H48 Cu5 Mo10 N16 O42 P V4 -","1","0.5","","Xiao, Li-Na; Zhao, Chun-Xiang; Shi, Xiao-Ming; Zhang, Hao; Wu, Wen; Cui, Xiao-Bing","Three new compounds based on similar molybdenum‒vanadium clusters and several types of copper complexes","CrystEngComm","2018","20","7","969","977","10.1039/c7ce01908d","","","0.71073","MoKα","","0.0491","0.038","","","0.0932","0.0993","","","","","","1.032","","","","has coordinates","218553","2020-10-21","18:00:00",""
"7233968","22.416","0.005","13.164","0.003","22.722","0.005","90","","105.03","0.03","90","","6476","3","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C36 H46 Cu3 Mo8 N8 O45 P V6 -","- C36 H40 Cu3 Mo8 N8 O45 P V6 -","- C144 H160 Cu12 Mo32 N32 O180 P4 V24 -","4","0.5","","Xiao, Li-Na; Zhao, Chun-Xiang; Shi, Xiao-Ming; Zhang, Hao; Wu, Wen; Cui, Xiao-Bing","Three new compounds based on similar molybdenum‒vanadium clusters and several types of copper complexes","CrystEngComm","2018","20","7","969","977","10.1039/c7ce01908d","","","0.71073","MoKα","","0.0565","0.049","","","0.1305","0.1353","","","","","","1.074","","","","has coordinates","218553","2020-10-21","18:00:00",""
"7233969","17.1154","0.0005","19.6453","0.0006","27.0729","0.0006","90","","100.26","0.002","90","","8957.4","0.4","293","2","293","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C62 H56 Cl Cu4 Mo9 N12 O50 P V5 -","- C62 H48 Cl Cu4 Mo9 N12 O50 P V5 -","- C248 H192 Cl4 Cu16 Mo36 N48 O200 P4 V20 -","4","1","","Xiao, Li-Na; Zhao, Chun-Xiang; Shi, Xiao-Ming; Zhang, Hao; Wu, Wen; Cui, Xiao-Bing","Three new compounds based on similar molybdenum‒vanadium clusters and several types of copper complexes","CrystEngComm","2018","20","7","969","977","10.1039/c7ce01908d","","","0.71073","MoKα","","0.1099","0.0477","","","0.111","0.1447","","","","","","1.029","","","","has coordinates","218553","2020-10-21","18:00:00",""
"7233970","9.9572","0.0002","26.9337","0.0007","13.2241","0.0003","90","","101.326","0.001","90","","3477.43","0.14","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C80 H50 Mn2 N8 O20 -","- C80 H50 Mn2 N8 O20 -","- C160 H100 Mn4 N16 O40 -","2","0.5","","Yue, Qi; Wang, Yuan-Yuan; Hu, Xiao-Lu; Guo, Wei-Xiao; Gao, En-Qing","Eight coordination compounds assembled from unexplored semi-rigid ether-based unsymmetrical tetracarboxylate and various dipyridyl ligands: structural variation, magnetic and photoluminescence properties","CrystEngComm","2019","","","","","10.1039/C9CE01128E","","","0.71073","MoKα","","0.0656","0.042","","","0.1034","0.1157","","","","","","1.023","","","","has coordinates","218560","2020-10-21","18:00:00",""
"7233971","9.4735","0.0003","10.9015","0.0003","11.9884","0.0004","103.023","0.001","100.467","0.001","105.787","0.001","1121.1","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H15 N2 O9 Zn -","- C26 H15 N2 O9 Zn -","- C52 H30 N4 O18 Zn2 -","2","1","","Yue, Qi; Wang, Yuan-Yuan; Hu, Xiao-Lu; Guo, Wei-Xiao; Gao, En-Qing","Eight coordination compounds assembled from unexplored semi-rigid ether-based unsymmetrical tetracarboxylate and various dipyridyl ligands: structural variation, magnetic and photoluminescence properties","CrystEngComm","2019","","","","","10.1039/C9CE01128E","","","0.71073","MoKα","","0.0348","0.0307","","","0.0797","0.0826","","","","","","1.072","","","","has coordinates","218560","2020-10-21","18:00:00",""
"7233972","11.2403","0.0004","11.5984","0.0005","11.8532","0.0005","90.988","0.001","93.671","0.001","100.685","0.001","1514.72","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 Cu2 N2 O15 -","- C28 H20 Cu2 N2 O15 -","- C56 H40 Cu4 N4 O30 -","2","1","","Yue, Qi; Wang, Yuan-Yuan; Hu, Xiao-Lu; Guo, Wei-Xiao; Gao, En-Qing","Eight coordination compounds assembled from unexplored semi-rigid ether-based unsymmetrical tetracarboxylate and various dipyridyl ligands: structural variation, magnetic and photoluminescence properties","CrystEngComm","2019","","","","","10.1039/C9CE01128E","","","0.71073","MoKα","","0.0566","0.0385","","","0.0968","0.1095","","","","","","1.025","","","","has coordinates","218560","2020-10-21","18:00:00",""
"7233973","11.8519","0.0003","11.7713","0.0003","23.898","0.0005","90","","91.938","0.001","90","","3332.16","0.14","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C80 H44 Cd4 N8 O19 -","- C80 H44 Cd4 N8 O19 -","- C160 H88 Cd8 N16 O38 -","2","0.5","","Yue, Qi; Wang, Yuan-Yuan; Hu, Xiao-Lu; Guo, Wei-Xiao; Gao, En-Qing","Eight coordination compounds assembled from unexplored semi-rigid ether-based unsymmetrical tetracarboxylate and various dipyridyl ligands: structural variation, magnetic and photoluminescence properties","CrystEngComm","2019","","","","","10.1039/C9CE01128E","","","0.71073","MoKα","","0.0386","0.0287","","","0.0696","0.0746","","","","","","1.025","","","","has coordinates","218560","2020-10-21","18:00:00",""
"7233974","27.576","0.003","52.262","0.005","7.423","0.0007","90","","90","","90","","10697.9","1.8","296","2","296","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C28 H20 Co2 N2 O10 -","- C28 H20 Co2 N2 O10 -","- C448 H320 Co32 N32 O160 -","16","1","","Yue, Qi; Wang, Yuan-Yuan; Hu, Xiao-Lu; Guo, Wei-Xiao; Gao, En-Qing","Eight coordination compounds assembled from unexplored semi-rigid ether-based unsymmetrical tetracarboxylate and various dipyridyl ligands: structural variation, magnetic and photoluminescence properties","CrystEngComm","2019","","","","","10.1039/C9CE01128E","","","0.71073","MoKα","","0.0819","0.0547","","","0.1307","0.1443","","","","","","1.016","","","","has coordinates","218560","2020-10-21","18:00:00",""
"7233975","13.6058","0.0004","24.4866","0.0007","11.6606","0.0003","90","","90","","90","","3884.84","0.19","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C80 H72 N8 Ni4 O31 -","- C80 H72 N8 Ni4 O31 -","- C160 H144 N16 Ni8 O62 -","2","0.5","","Yue, Qi; Wang, Yuan-Yuan; Hu, Xiao-Lu; Guo, Wei-Xiao; Gao, En-Qing","Eight coordination compounds assembled from unexplored semi-rigid ether-based unsymmetrical tetracarboxylate and various dipyridyl ligands: structural variation, magnetic and photoluminescence properties","CrystEngComm","2019","","","","","10.1039/C9CE01128E","","","0.71073","MoKα","","0.0407","0.0312","","","0.0678","0.0715","","","","","","1.025","","","","has coordinates","218560","2020-10-21","18:00:00",""
"7233976","10.322","0.0006","11.3221","0.0006","19.1686","0.001","100.686","0.002","100.863","0.002","102.414","0.002","2088.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H36 N4 Ni2 O12 -","- C40 H36 N4 Ni2 O12 -","- C80 H72 N8 Ni4 O24 -","2","1","","Yue, Qi; Wang, Yuan-Yuan; Hu, Xiao-Lu; Guo, Wei-Xiao; Gao, En-Qing","Eight coordination compounds assembled from unexplored semi-rigid ether-based unsymmetrical tetracarboxylate and various dipyridyl ligands: structural variation, magnetic and photoluminescence properties","CrystEngComm","2019","","","","","10.1039/C9CE01128E","","","0.71073","MoKα","","0.0533","0.0383","","","0.0911","0.0975","","","","","","1.042","","","","has coordinates","218560","2020-10-21","18:00:00",""
"7233977","31.2268","0.0009","7.9018","0.0002","21.6843","0.0007","90","","100.807","0.001","90","","5255.7","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H44 Cd N4 O25 -","- C52 H44 Cd N4 O25 -","- C208 H176 Cd4 N16 O100 -","4","0.5","","Yue, Qi; Wang, Yuan-Yuan; Hu, Xiao-Lu; Guo, Wei-Xiao; Gao, En-Qing","Eight coordination compounds assembled from unexplored semi-rigid ether-based unsymmetrical tetracarboxylate and various dipyridyl ligands: structural variation, magnetic and photoluminescence properties","CrystEngComm","2019","","","","","10.1039/C9CE01128E","","","0.71073","MoKα","","0.0415","0.0331","","","0.0794","0.0842","","","","","","1.032","","","","has coordinates","218560","2020-10-21","18:00:00",""
"7233978","9.431","0.004","13.316","0.004","18.54","0.007","90","","91.891","0.013","90","","2327","1.5","293","2","293.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 Cd Cl N4 O4 -","- C25 H20 Cd Cl N4 O4 -","- C100 H80 Cd4 Cl4 N16 O16 -","4","1","","Zhang, Yujuan; Yang, Jiandong; Zhao, Dongsheng; Liu, Zhangjie; Li, Dacheng; Fan, Liming; Hu, Tuoping","Two cadmium(ii) coordination polymers as luminescent sensors for the detection of nitrofuran/nitroimidazole antibiotics","CrystEngComm","2019","21","41","6130","","10.1039/C9CE01164A","","","0.71073","MoKα","","0.0312","0.0293","","","0.074","0.0754","","","","","","1.099","","","","has coordinates","223505","2020-10-21","18:00:00",""
"7233979","6.972","0.003","17.311","0.009","17.837","0.008","90","","93.913","0.014","90","","2147.8","1.7","293","2","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H19 Cd N4 O4 -","- C25 H19 Cd N4 O4 -","- C100 H76 Cd4 N16 O16 -","4","1","","Zhang, Yujuan; Yang, Jiandong; Zhao, Dongsheng; Liu, Zhangjie; Li, Dacheng; Fan, Liming; Hu, Tuoping","Two cadmium(ii) coordination polymers as luminescent sensors for the detection of nitrofuran/nitroimidazole antibiotics","CrystEngComm","2019","21","41","6130","","10.1039/C9CE01164A","","","0.71073","MoKα","","0.0522","0.0425","","","0.0859","0.0892","","","","","","1.107","","","","has coordinates","223505","2020-10-21","18:00:00",""
"7233980","12.467","0.0001","16.3496","0.0001","21.3494","0.0001","90","","90","","90","","4351.66","0.05","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C40 H46 Cd N6 O12 -","- C40 H46 Cd N6 O12 -","- C160 H184 Cd4 N24 O48 -","4","0.5","","Balestri, Davide; Scilabra, Patrick; Carraro, Claudia; Delledonne, Andrea; Bacchi, Alessia; Mazzeo, Paolo Pio; Carlucci, Lucia; Pelagatti, Paolo","Structural, thermal and topological characterization of coordination networks containing flexible aminocarboxylate ligands with a central biphenylene scaffold","CrystEngComm","2019","21","42","6365","","10.1039/C9CE01230C","","x-ray","0.7","synchrotron","","0.0608","0.0596","","","0.1896","0.1914","","","","","","1.051","","","","has coordinates,has disorder","223559","2020-10-21","18:00:00",""
"7233981","15.2047","0.0006","18.4315","0.0006","28.6082","0.0011","101.926","0.003","96.44","0.003","98.138","0.003","7682.1","0.5","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C97.25 H99.25 N12.5 O18.96 Zn4 -","- C97.25 H99.25 N12.5 O18.968 Zn4 -","- C194.5 H198.5 N25 O37.936 Zn8 -","2","1","","Balestri, Davide; Scilabra, Patrick; Carraro, Claudia; Delledonne, Andrea; Bacchi, Alessia; Mazzeo, Paolo Pio; Carlucci, Lucia; Pelagatti, Paolo","Structural, thermal and topological characterization of coordination networks containing flexible aminocarboxylate ligands with a central biphenylene scaffold","CrystEngComm","2019","21","42","6365","","10.1039/C9CE01230C","","","0.7","synchrotron","","0.1291","0.1061","","","0.3141","0.3374","","","","","","1.247","","","","has coordinates,has disorder","223559","2020-10-21","18:00:00",""
"7233982","11.593","0.0006","45.238","0.002","23.3964","0.0011","90","","91.12","0.002","90","","12267.8","1","120","2","120.24","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C97 H96 N12 O19 Zn4 -","- C97 H96 N12 O19 Zn4 -","- C388 H384 N48 O76 Zn16 -","4","1","","Balestri, Davide; Scilabra, Patrick; Carraro, Claudia; Delledonne, Andrea; Bacchi, Alessia; Mazzeo, Paolo Pio; Carlucci, Lucia; Pelagatti, Paolo","Structural, thermal and topological characterization of coordination networks containing flexible aminocarboxylate ligands with a central biphenylene scaffold","CrystEngComm","2019","21","42","6365","","10.1039/C9CE01230C","","","0.71073","MoKα","","0.0839","0.0611","","","0.182","0.1985","","","","","","1.062","","","","has coordinates,has disorder","223559","2020-10-21","18:00:00",""
"7233983","19.551","0.001","24.348","0.002","19.579","0.001","90","","98.16","0.02","90","","9225.8","1.1","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C104 H84 N8 O30 Zr6 -","- C104 H84 N8 O30 Zr6 -","- C208 H168 N16 O60 Zr12 -","2","1","","Balestri, Davide; Scilabra, Patrick; Carraro, Claudia; Delledonne, Andrea; Bacchi, Alessia; Mazzeo, Paolo Pio; Carlucci, Lucia; Pelagatti, Paolo","Structural, thermal and topological characterization of coordination networks containing flexible aminocarboxylate ligands with a central biphenylene scaffold","CrystEngComm","2019","21","42","6365","","10.1039/C9CE01230C","","","0.7","synchrotron","","0.3108","0.1472","","","0.3325","0.4094","","","","","","1.077","","","","has coordinates","223559","2020-10-21","18:00:00",""
"7233984","8.6867","0.0004","15.1019","0.0006","9.9125","0.0005","90","","105.478","0.005","90","","1253.22","0.1","159.99","0.1","159.99","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 O7 -","- C12 H14 O7 -","- C48 H56 O28 -","4","1","","Yang, Jinyue; Hong, Baohong; Wang, Na; Li, Xin; Huang, Xin; Bao, Ying; Xie, Chuang; Hao, Hongxun","Thermodynamics and molecular mechanism of the formation of the cocrystals of p-hydroxybenzoic acid and glutaric acid","CrystEngComm","2019","21","42","6374","","10.1039/C9CE01092K","","x-ray","0.71073","MoKα","","0.0723","0.0486","","","0.1254","0.1402","","","","","","1.044","","","","has coordinates,has disorder","223556","2020-10-21","18:00:00",""
"7234015","24.9038","0.001","33.4493","0.0012","18.3388","0.0007","90","","90","","90","","15276.5","1","100","2","100","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C40 H58 Cu2 N6 O17 -","- C22 H10 Cu2 O10 -","- C264 H120 Cu24 O120 -","12","1.5","","He, Minghui; Gao, Xiaoxia; Xu, Tingting; Jiang, Zhenzhen; He, Yabing","Tailoring the structures and gas adsorption properties of copper-bent diisophthalate frameworks by substituent-driven ligand conformation regulation strategy","CrystEngComm","2019","","","","","10.1039/C9CE01018A","","","1.54178","CuKα","","0.047","0.0447","","","0.1253","0.1285","","","","","","1.004","","","","has coordinates","218645","2020-10-21","18:00:00",""
"7234016","25.3148","0.0004","25.3148","0.0004","25.3148","0.0004","90","","90","","90","","16222.7","0.4","150","2","150","2","","","","","","","","5","P m -3","-P 2 2 3","200","","","","- C44 H65 Cu2 N7 O18 -","- C23 H12 Cu2 O11 -","- C276 H144 Cu24 O132 -","12","0.5","","He, Minghui; Gao, Xiaoxia; Xu, Tingting; Jiang, Zhenzhen; He, Yabing","Tailoring the structures and gas adsorption properties of copper-bent diisophthalate frameworks by substituent-driven ligand conformation regulation strategy","CrystEngComm","2019","","","","","10.1039/C9CE01018A","","","0.71073","MoKα","","0.147","0.1166","","","0.3343","0.3882","","","","","","1.021","","","","has coordinates","218645","2020-10-21","18:00:00",""
"7234017","18.5762","0.0005","18.5762","0.0005","23.8042","0.0016","90","","90","","120","","7113.7","0.5","150","2","150","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C37 H52 Cu2 N6 O16 -","- C22 H13 Cu2 N O10 -","- C132 H78 Cu12 N6 O60 -","6","0.25","","He, Minghui; Gao, Xiaoxia; Xu, Tingting; Jiang, Zhenzhen; He, Yabing","Tailoring the structures and gas adsorption properties of copper-bent diisophthalate frameworks by substituent-driven ligand conformation regulation strategy","CrystEngComm","2019","","","","","10.1039/C9CE01018A","","","0.71073","MoKα","","0.1159","0.0941","","","0.3623","0.417","","","","","","1.089","","","","has coordinates,has disorder","218645","2020-10-21","18:00:00",""
"7234018","7.0897","0.0003","8.0981","0.0005","9.2634","0.0005","67.362","0.005","86.126","0.004","82.729","0.004","486.81","0.05","293","2","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C8 H7 Nd O9 -","- C8 H7 Nd O9 -","- C16 H14 Nd2 O18 -","2","1","","Wang, Jia-Yin; Shi, Yang; Tao, Dong-Liang; Bo, Qi-Bing","Series of 3D lanthanide MOFs derived from saddle-like alicyclic tetracarboxylate ligands: synthesis, characterization and structure‒photoluminescence correlations","CrystEngComm","2019","21","43","6591","","10.1039/C9CE01337G","","x-ray","0.71073","MoKα","","0.0197","0.0178","","","0.0413","0.0422","","","","","","1.102","","","","has coordinates","223541","2020-10-21","18:00:00",""
"7234019","8.0013","0.0003","9.0019","0.0003","14.3067","0.0005","90","","90","","90","","1030.47","0.06","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H6 Na O9 Pr -","- C8 H4 Na O9 Pr -","- C32 H16 Na4 O36 Pr4 -","4","1","","Wang, Jia-Yin; Shi, Yang; Tao, Dong-Liang; Bo, Qi-Bing","Series of 3D lanthanide MOFs derived from saddle-like alicyclic tetracarboxylate ligands: synthesis, characterization and structure‒photoluminescence correlations","CrystEngComm","2019","21","43","6591","","10.1039/C9CE01337G","","x-ray","0.71073","MoKα","","0.0246","0.0217","","","0.0444","0.0462","","","","","","1.079","","","","has coordinates","223541","2020-10-21","18:00:00",""
"7234020","16.309","0.0005","10.8889","0.0003","17.4148","0.0006","90","","98.031","0.003","90","","3062.31","0.17","293","2","293.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 O13 Tm2 -","- C12 H8 O13 Tm2 -","- C96 H64 O104 Tm16 -","8","1","","Wang, Jia-Yin; Shi, Yang; Tao, Dong-Liang; Bo, Qi-Bing","Series of 3D lanthanide MOFs derived from saddle-like alicyclic tetracarboxylate ligands: synthesis, characterization and structure‒photoluminescence correlations","CrystEngComm","2019","21","43","6591","","10.1039/C9CE01337G","","x-ray","0.71073","MoKα","","0.0261","0.0219","","","0.0449","0.0467","","","","","","1.107","","","","has coordinates","223541","2020-10-21","18:00:00",""
"7234021","7.9349","0.0004","8.8716","0.0004","14.1611","0.0007","90","","90","","90","","996.87","0.08","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H6 Eu Na O9 -","- C8 H6 Eu Na O9 -","- C32 H24 Eu4 Na4 O36 -","4","1","","Wang, Jia-Yin; Shi, Yang; Tao, Dong-Liang; Bo, Qi-Bing","Series of 3D lanthanide MOFs derived from saddle-like alicyclic tetracarboxylate ligands: synthesis, characterization and structure‒photoluminescence correlations","CrystEngComm","2019","21","43","6591","","10.1039/C9CE01337G","","x-ray","0.71073","MoKα","","0.0262","0.0221","","","0.0432","0.0452","","","","","","1.073","","","","has coordinates","223541","2020-10-21","18:00:00",""
"7234022","7.9177","0.0005","8.8354","0.0006","14.1274","0.0008","90","","90","","90","","988.3","0.11","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H6 Na O9 Tb -","- C8 H6 Na O9 Tb -","- C32 H24 Na4 O36 Tb4 -","4","1","","Wang, Jia-Yin; Shi, Yang; Tao, Dong-Liang; Bo, Qi-Bing","Series of 3D lanthanide MOFs derived from saddle-like alicyclic tetracarboxylate ligands: synthesis, characterization and structure‒photoluminescence correlations","CrystEngComm","2019","21","43","6591","","10.1039/C9CE01337G","","x-ray","0.71073","MoKα","","0.0262","0.0231","","","0.0489","0.0506","","","","","","1.086","","","","has coordinates","223541","2020-10-21","18:00:00",""
"7234023","7.086","0.0003","7.9756","0.0003","9.2021","0.0003","67.832","0.003","86.055","0.003","82.82","0.003","477.71","0.03","293","2","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C8 H7 O9 Tb -","- C8 H7 O9 Tb -","- C16 H14 O18 Tb2 -","2","1","","Wang, Jia-Yin; Shi, Yang; Tao, Dong-Liang; Bo, Qi-Bing","Series of 3D lanthanide MOFs derived from saddle-like alicyclic tetracarboxylate ligands: synthesis, characterization and structure‒photoluminescence correlations","CrystEngComm","2019","21","43","6591","","10.1039/C9CE01337G","","x-ray","0.71073","MoKα","","0.0211","0.0203","","","0.0537","0.0544","","","","","","1.036","","","","has coordinates","223541","2020-10-21","18:00:00",""
"7234024","11.713","0.0007","7.9655","0.0004","14.7344","0.001","90","","97.8","0.006","90","","1362","0.14","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 Er Na O12 -","- C8 H12 Er Na O12 -","- C32 H48 Er4 Na4 O48 -","4","1","","Wang, Jia-Yin; Shi, Yang; Tao, Dong-Liang; Bo, Qi-Bing","Series of 3D lanthanide MOFs derived from saddle-like alicyclic tetracarboxylate ligands: synthesis, characterization and structure‒photoluminescence correlations","CrystEngComm","2019","21","43","6591","","10.1039/C9CE01337G","","x-ray","0.71","MoKα","","0.0529","0.0446","","","0.1172","0.1269","","","","","","1.092","","","","has coordinates","223541","2020-10-21","18:00:00",""
"7234025","16.2968","0.0007","10.8916","0.0005","17.3658","0.0007","90","","97.967","0.004","90","","3052.6","0.2","293","2","293.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 O13 Yb2 -","- C12 H8 O13 Yb2 -","- C96 H64 O104 Yb16 -","8","1","","Wang, Jia-Yin; Shi, Yang; Tao, Dong-Liang; Bo, Qi-Bing","Series of 3D lanthanide MOFs derived from saddle-like alicyclic tetracarboxylate ligands: synthesis, characterization and structure‒photoluminescence correlations","CrystEngComm","2019","21","43","6591","","10.1039/C9CE01337G","","x-ray","0.71073","MoKα","","0.0278","0.022","","","0.0482","0.0507","","","","","","1.099","","","","has coordinates","223541","2020-10-21","18:00:00",""
"7234026","8.2692","0.0009","13.9397","0.0014","17.5348","0.0019","102.39","0.002","96.824","0.002","99.046","0.002","1925.1","0.4","296","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H30 Co N10 O6 -","- C42 H30 Co N10 O6 -","- C84 H60 Co2 N20 O12 -","2","1","","Liu, Yu; Wang, Xiuli; Zhao, Jing; Lin, Hongyan; Xu, Na; Zhang, Juwen; Yu, Baoyi","A series of flexible bis(pyridyl)bis(tetrazole)-modulated coordination polymers: construction, electrochemical properties, dye adsorption and magnetic properties","CrystEngComm","2019","21","43","6613","","10.1039/C9CE01175G","","","0.71073","MoKα","","0.1365","0.0614","","","0.1101","0.128","","","","","","0.861","","","","has coordinates,has disorder","223537","2020-10-21","18:00:00",""
"7234027","9.2017","0.0008","13.14","0.0011","17.1774","0.0015","100.435","0.002","97.755","0.002","93.142","0.002","2017.2","0.3","296","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H30 Co N10 O6 -","- C42 H30 Co N10 O6 -","- C84 H60 Co2 N20 O12 -","2","1","","Liu, Yu; Wang, Xiuli; Zhao, Jing; Lin, Hongyan; Xu, Na; Zhang, Juwen; Yu, Baoyi","A series of flexible bis(pyridyl)bis(tetrazole)-modulated coordination polymers: construction, electrochemical properties, dye adsorption and magnetic properties","CrystEngComm","2019","21","43","6613","","10.1039/C9CE01175G","","","0.71073","MoKα","","0.099","0.0569","","","0.1361","0.1505","","","","","","0.956","","","","has coordinates","223537","2020-10-21","18:00:00",""
"7234028","16.702","0.005","29.879","0.005","18.259","0.005","90","","114.563","0.005","90","","8287","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C81 H62 Co3 N15 O13 -","- C81 H62 Co3 N15 O13 -","- C324 H248 Co12 N60 O52 -","4","0.5","","Liu, Yu; Wang, Xiuli; Zhao, Jing; Lin, Hongyan; Xu, Na; Zhang, Juwen; Yu, Baoyi","A series of flexible bis(pyridyl)bis(tetrazole)-modulated coordination polymers: construction, electrochemical properties, dye adsorption and magnetic properties","CrystEngComm","2019","21","43","6613","","10.1039/C9CE01175G","","","0.71069","MoKα","","0.0638","0.046","","","0.1171","0.127","","","","","","1.035","","","","has coordinates,has disorder","223537","2020-10-21","18:00:00",""
"7234029","27.306","0.005","8.903","0.005","28.816","0.005","90","","92.788","0.005","90","","6997","4","296","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C148 H110 Cu4 N22 O24 -","- C148 H110 Cu4 N22 O24 -","- C296 H220 Cu8 N44 O48 -","2","0.25","","Liu, Yu; Wang, Xiuli; Zhao, Jing; Lin, Hongyan; Xu, Na; Zhang, Juwen; Yu, Baoyi","A series of flexible bis(pyridyl)bis(tetrazole)-modulated coordination polymers: construction, electrochemical properties, dye adsorption and magnetic properties","CrystEngComm","2019","21","43","6613","","10.1039/C9CE01175G","","","0.71069","MoKα","","0.0885","0.0527","","","0.1218","0.1379","","","","","","1.014","","","","has coordinates,has disorder","223537","2020-10-21","18:00:00",""
"7234030","5.11465","0.00004","18.0858","0.0002","8.046","0.00005","90","","90","","90","","744.275","0.011","293","","293","","","","","","","","","4","P b c n","-P 2n 2ab","60","Gd1 K1 Mo2 O8","","","- Gd K Mo2 O8 -","- Gd K Mo2 O8 -","- Gd4 K4 Mo8 O32 -","4","0.5","","Morozov, Vladimir A.; Posokhova, Svetlana M.; Deyneko, Dina V.; Savina, Aleksandra A.; Morozov, Anatolii V.; Tyablikov, Oleg A.; Redkin, Boris S.; Spassky, Dmitry A.; Hadermann, Joke; Lazoryak, Bogdan I.","Influence of annealing conditions on the structure and luminescence properties of KGd1−xEux(MoO4)2 (0 ≤ x ≤ 1)","CrystEngComm","2019","21","42","6460","","10.1039/C9CE01244C","powder diffraction","x-ray","1.78892","CoKα","","0.0349","0.0349","","0.0491","0.0491","","","","1.98","","","","","","","has coordinates","223561","2020-10-21","18:00:00",""
"7234031","8.848","0.0012","8.848","0.0012","24.929","0.005","90","","90","","90","","1951.6","0.5","300","2","300","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C10 H11 Cu N O3 -","- C10 H11 Cu N O3 -","- C80 H88 Cu8 N8 O24 -","8","1","","Muthukumar, Pandi; Moon, Dohyun; Anthony, Savarimuthu Philip","The Co2+/Ni2+ ion-mediated formation of a topochemically converted copper coordination polymer: structure-dependent electrocatalytic activity","CrystEngComm","2019","21","43","6552","","10.1039/C9CE01178A","","","0.63","synchrotron","","0.0278","0.0276","","","0.0777","0.0779","","","","","","1.056","","","","has coordinates","223539","2020-10-21","18:00:00",""
"7234032","7.398","0.0015","10.018","0.002","28.689","0.006","90","","90","","90","","2126.2","0.8","299","2","299","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 Cu2 N2 O7 -","- C20 H24 Cu2 N2 O7 -","- C80 H96 Cu8 N8 O28 -","4","1","","Muthukumar, Pandi; Moon, Dohyun; Anthony, Savarimuthu Philip","The Co2+/Ni2+ ion-mediated formation of a topochemically converted copper coordination polymer: structure-dependent electrocatalytic activity","CrystEngComm","2019","21","43","6552","","10.1039/C9CE01178A","","","0.63","synchrotron","","0.0314","0.0289","","","0.0813","0.083","","","","","","1.078","","","","has coordinates","223539","2020-10-21","18:00:00",""
"7234149","7.73077","0.00013","25.6327","0.0004","5.93311","0.00008","90","","90","","90","","1175.71","0.03","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H10 N2 O2 -","- C15 H10 N2 O2 -","- C60 H40 N8 O8 -","4","1","","Samie, Ali; Salimi, Alireza; Garrison, Jered C.","Exploration of relative π-electron localization in naphthalene aromatic rings by C‒H⋯π interactions: experimental evidence, computational criteria, and database analysis","CrystEngComm","2019","21","42","6432","","10.1039/C9CE00929A","","x-ray","1.54184","CuKα","","0.0317","0.0297","","","0.0777","0.0797","","","","","","1.037","","","","has coordinates","223560","2020-10-21","18:00:00",""
"7234150","6.7365","0.0001","20.9912","0.0005","8.5808","0.0002","90","","94.757","0.002","90","","1209.21","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6.67 N1.33 O1.33 -","- C10 H6.66667 N1.33333 O1.33333 -","- C60 H40 N8 O8 -","6","1.5","","Samie, Ali; Salimi, Alireza; Garrison, Jered C.","Exploration of relative π-electron localization in naphthalene aromatic rings by C‒H⋯π interactions: experimental evidence, computational criteria, and database analysis","CrystEngComm","2019","21","42","6432","","10.1039/C9CE00929A","","x-ray","1.54184","CuKα","","0.0595","0.0566","","","0.1601","0.1631","","","","","","1.068","","","","has coordinates","223560","2020-10-21","18:00:00",""
"7234151","7.7648","0.0001","25.7822","0.0002","5.89423","0.00005","90","","90","","90","","1179.99","0.02","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H11 N O2 -","- C16 H11 N O2 -","- C64 H44 N4 O8 -","4","1","","Samie, Ali; Salimi, Alireza; Garrison, Jered C.","Exploration of relative π-electron localization in naphthalene aromatic rings by C‒H⋯π interactions: experimental evidence, computational criteria, and database analysis","CrystEngComm","2019","21","42","6432","","10.1039/C9CE00929A","","x-ray","1.54184","CuKα","","0.0319","0.0315","","","0.0798","0.0811","","","","","","1.066","","","","has coordinates","223560","2020-10-21","18:00:00",""
"7234152","15.21","0.04","8.42","0.02","20.22","0.05","90","","90","","90","","2590","11","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","III","1-naphtyl pyridine-2-carboxylate","","- C16 H11 N O2 -","- C16 H11 N O2 -","- C128 H88 N8 O16 -","8","1","","Samie, Ali; Salimi, Alireza; Garrison, Jered C.","Exploration of relative π-electron localization in naphthalene aromatic rings by C‒H⋯π interactions: experimental evidence, computational criteria, and database analysis","CrystEngComm","2019","21","42","6432","","10.1039/C9CE00929A","","","0.71073","MoKα","","0.1096","0.0991","","","0.2867","0.3057","","","","","","1.168","","","","has coordinates","223560","2020-10-21","18:00:00",""
"7234153","25.1342","0.0004","25.1342","0.0004","25.1342","0.0004","90","","90","","90","","15878","0.4","296","2","296.15","","","","","","","","","8","I -4 3 d","I -4bd 2c 3","220","","","","- C8 H20 Cl1.33 Co2.67 N12 O44 Si W12 -","- C8 H20 Cl1.3332 Co2.66667 N12 O44 Si W12 -","- C96 H240 Cl15.9984 Co32 N144 O528 Si12 W144 -","12","0.25","","Yao, Wei; Qin, Chao; Xu, Na; Zhou, Jie; Sun, Chunyi; Liu, Li; Su, Zhongmin","Visible-light CO2 photoreduction of polyoxometalate-based hybrids with different cobalt clusters","CrystEngComm","2019","21","42","6423","","10.1039/C9CE01218D","","x-ray","0.71073","MoKα","","0.0261","0.0235","","","0.0547","0.0563","","","","","","1.017","","","","has coordinates","223558","2020-10-21","18:00:00",""
"7234154","12.7994","0.001","13.1541","0.0011","18.1961","0.0015","92.859","0.001","90.22","0.001","95.736","0.001","3044.3","0.4","296","2","296.15","","","","","","","","","8","P -1","-P 1","2","","","","- C12 H36 Cl2 Co3 N18 O49 Si W12 -","- C12 H24 Cl2 Co3 N18 O49 Si W12 -","- C24 H48 Cl4 Co6 N36 O98 Si2 W24 -","2","1","","Yao, Wei; Qin, Chao; Xu, Na; Zhou, Jie; Sun, Chunyi; Liu, Li; Su, Zhongmin","Visible-light CO2 photoreduction of polyoxometalate-based hybrids with different cobalt clusters","CrystEngComm","2019","21","42","6423","","10.1039/C9CE01218D","","x-ray","0.71073","MoKα","","0.0597","0.0406","","","0.0851","0.094","","","","","","0.98","","","","has coordinates,has disorder","223558","2020-10-21","18:00:00",""
"7234155","14.734","0.002","13.29","0.002","23.951","0.004","90","","96.966","0.005","90","","4655.3","1.2","256.15","","256.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H8 Cu1.5 N O8 -","- C14 H8 Cu1.5 N O8 -","- C112 H64 Cu12 N8 O64 -","8","1","","Cheng, JianGuo; Liu, Jiao; Tong, Wen Quan; Wu, Dan; Yang, Fan; Hou, Lei; Wang, Yao-Yu","Two new MOFs based on 5-((4-carboxypyridin-2-yl)oxy) isophthalic acid displaying the unique selective CO2 gas adsorption and Magnetic properties†","CrystEngComm","2019","","","","","10.1039/C9CE01374A","","","0.71073","MoKα","","0.0404","0.0337","","","0.1042","0.1075","","","","","","1.13","","","","has coordinates,has disorder","218839","2020-10-21","18:00:00",""
"7234156","8.2547","0.0004","10.948","0.0005","11.4196","0.0005","99.155","0.001","97.299","0.001","111.973","0.001","925.03","0.07","298","2","297.98","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H31 Co4 N3 O24 -","- C30 H31 Co4 N3 O24 -","- C30 H31 Co4 N3 O24 -","1","0.5","","Cheng, JianGuo; Liu, Jiao; Tong, Wen Quan; Wu, Dan; Yang, Fan; Hou, Lei; Wang, Yao-Yu","Two new MOFs based on 5-((4-carboxypyridin-2-yl)oxy) isophthalic acid displaying the unique selective CO2 gas adsorption and Magnetic properties†","CrystEngComm","2019","","","","","10.1039/C9CE01374A","","","0.71073","MoKα","","0.0225","0.0213","","","0.0558","0.0566","","","","","","1.039","","","","has coordinates,has disorder","218839","2020-10-21","18:00:00",""
"7234202","32.4476","0.0003","10.1068","0.0001","17.2959","0.0001","90","","90","","90","","5672.04","0.08","300.99","0.1","300.99","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C42 H52 Cu4 N12 O14 S8 -","- C42 H52 Cu4 N12 O14 S8 -","- C168 H208 Cu16 N48 O56 S32 -","4","1","","Kang, Juan; Wang, Yongli; Chen, Yifu; Huang, Xin; Yin, Qiuxiang; Wang, Na; Hao, Hongxun","Coordination-induced conformation diversity for pharmaceutical polymorph control","CrystEngComm","2019","21","43","6585","","10.1039/C9CE01310E","","x-ray","1.54184","CuKα","","0.038","0.0289","","","0.0738","0.0778","","","","","","1.039","","","","has coordinates","223542","2020-10-21","18:00:00",""
"7234203","12.0094","0.0004","12.8836","0.0006","17.3263","0.0007","90","","92.444","0.004","90","","2678.36","0.19","159.99","0.1","159.99","0.1","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C36 H38 N12 Ni2 O11 S8 -","- C36 H38 N12 Ni2 O11 S8 -","- C72 H76 N24 Ni4 O22 S16 -","2","0.5","","Kang, Juan; Wang, Yongli; Chen, Yifu; Huang, Xin; Yin, Qiuxiang; Wang, Na; Hao, Hongxun","Coordination-induced conformation diversity for pharmaceutical polymorph control","CrystEngComm","2019","21","43","6585","","10.1039/C9CE01310E","","x-ray","1.54184","CuKα","","0.1173","0.0799","","","0.1988","0.2335","","","","","","0.978","","","","has coordinates","223542","2020-10-21","18:00:00",""
"7234204","12.4803","0.0005","7.7683","0.0004","27.2802","0.0015","90","","90.8","0.004","90","","2644.6","0.2","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H52 Co N12 Na2 O18 S8 -","- C36 H52 Co N12 Na2 O18 S8 -","- C72 H104 Co2 N24 Na4 O36 S16 -","2","0.5","","Kang, Juan; Wang, Yongli; Chen, Yifu; Huang, Xin; Yin, Qiuxiang; Wang, Na; Hao, Hongxun","Coordination-induced conformation diversity for pharmaceutical polymorph control","CrystEngComm","2019","21","43","6585","","10.1039/C9CE01310E","","x-ray","0.71073","MoKα","","0.0735","0.0535","","","0.1272","0.1464","","","","","","1.042","","","","has coordinates,has disorder","223542","2020-10-21","18:00:00",""
"7234205","8.0702","0.0003","10.9452","0.0004","31.8143","0.0012","90","","90","","90","","2810.16","0.18","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H11 Mo N3 O5 -","- C14 H11 Mo N3 O5 -","- C112 H88 Mo8 N24 O40 -","8","1","","Mandarić, Mirna; Prugovečki, Biserka; Cvijanović, Danijela; Vuković, Jelena Parlov; Lovrić, Jasna; Skočibušić, Mirjana; Odžak, Renata; Cindrić, Marina; Vrdoljak, Višnja","Vapour- and solvent-mediated crystalline transformations in Mo(vi) hydrazone complexes controlled by noncovalent interactions","CrystEngComm","2019","21","41","6281","","10.1039/C9CE01273G","","","0.71073","MoKα","","0.0398","0.0298","","","0.0671","0.0714","","","","","","1.06","","","","has coordinates","223508","2020-10-21","18:00:00",""
"7234206","6.6351","0.0003","7.6159","0.0003","16.3967","0.0008","91.525","0.003","93.644","0.004","95.79","0.003","822.21","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 Mo N3 O6 -","- C15 H15 Mo N3 O6 -","- C30 H30 Mo2 N6 O12 -","2","1","","Mandarić, Mirna; Prugovečki, Biserka; Cvijanović, Danijela; Vuković, Jelena Parlov; Lovrić, Jasna; Skočibušić, Mirjana; Odžak, Renata; Cindrić, Marina; Vrdoljak, Višnja","Vapour- and solvent-mediated crystalline transformations in Mo(vi) hydrazone complexes controlled by noncovalent interactions","CrystEngComm","2019","21","41","6281","","10.1039/C9CE01273G","","","0.71073","MoKα","","0.0343","0.0301","","","0.0727","0.0749","","","","","","1.045","","","","has coordinates","223508","2020-10-21","18:00:00",""
"7234207","8.9395","0.0004","12.0713","0.0004","16.8359","0.0006","90","","95.768","0.004","90","","1807.59","0.12","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 Cl Mo N3 O6 -","- C15 H16 Cl Mo N3 O6 -","- C60 H64 Cl4 Mo4 N12 O24 -","4","1","","Mandarić, Mirna; Prugovečki, Biserka; Cvijanović, Danijela; Vuković, Jelena Parlov; Lovrić, Jasna; Skočibušić, Mirjana; Odžak, Renata; Cindrić, Marina; Vrdoljak, Višnja","Vapour- and solvent-mediated crystalline transformations in Mo(vi) hydrazone complexes controlled by noncovalent interactions","CrystEngComm","2019","21","41","6281","","10.1039/C9CE01273G","","","0.71073","MoKα","","0.0539","0.0289","","","0.0502","0.053","","","","","","0.837","","","","has coordinates","223508","2020-10-21","18:00:00",""
"7234208","7.6639","0.0004","9.7687","0.0004","11.6636","0.0004","76.424","0.003","76.154","0.004","89.268","0.006","823.28","0.06","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 Mo N3 O6 -","- C15 H15 Mo N3 O6 -","- C30 H30 Mo2 N6 O12 -","2","1","","Mandarić, Mirna; Prugovečki, Biserka; Cvijanović, Danijela; Vuković, Jelena Parlov; Lovrić, Jasna; Skočibušić, Mirjana; Odžak, Renata; Cindrić, Marina; Vrdoljak, Višnja","Vapour- and solvent-mediated crystalline transformations in Mo(vi) hydrazone complexes controlled by noncovalent interactions","CrystEngComm","2019","21","41","6281","","10.1039/C9CE01273G","","","0.71073","MoKα","","0.0296","0.0246","","","0.0593","0.0612","","","","","","1.067","","","","has coordinates","223508","2020-10-21","18:00:00",""
"7234209","8.9754","0.0002","12.0144","0.0009","16.8807","0.0006","90","","96.192","0.003","90","","1809.69","0.16","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 Br Mo N3 O6 -","- C15 H16 Br Mo N3 O6 -","- C60 H64 Br4 Mo4 N12 O24 -","4","1","","Mandarić, Mirna; Prugovečki, Biserka; Cvijanović, Danijela; Vuković, Jelena Parlov; Lovrić, Jasna; Skočibušić, Mirjana; Odžak, Renata; Cindrić, Marina; Vrdoljak, Višnja","Vapour- and solvent-mediated crystalline transformations in Mo(vi) hydrazone complexes controlled by noncovalent interactions","CrystEngComm","2019","21","41","6281","","10.1039/C9CE01273G","","","0.71073","MoKα","","0.0335","0.026","","","0.0536","0.0562","","","","","","1.036","","","","has coordinates","223508","2020-10-21","18:00:00",""
"7234210","7.239","0.0003","10.6694","0.0004","11.841","0.0004","106.795","0.003","95.133","0.003","104.217","0.003","835.94","0.06","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 Mo N3 O6 -","- C15 H15 Mo N3 O6 -","- C30 H30 Mo2 N6 O12 -","2","1","","Mandarić, Mirna; Prugovečki, Biserka; Cvijanović, Danijela; Vuković, Jelena Parlov; Lovrić, Jasna; Skočibušić, Mirjana; Odžak, Renata; Cindrić, Marina; Vrdoljak, Višnja","Vapour- and solvent-mediated crystalline transformations in Mo(vi) hydrazone complexes controlled by noncovalent interactions","CrystEngComm","2019","21","41","6281","","10.1039/C9CE01273G","","","0.71073","MoKα","","0.0288","0.0231","","","0.0541","0.0559","","","","","","1.052","","","","has coordinates","223508","2020-10-21","18:00:00",""
"7234211","7.6699","0.0002","13.2183","0.0003","10.0377","0.0002","90","","92.579","0.002","90","","1016.62","0.04","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H20 Mo N4 O10 -","- C16 H20 Mo N4 O10 -","- C32 H40 Mo2 N8 O20 -","2","1","","Mandarić, Mirna; Prugovečki, Biserka; Cvijanović, Danijela; Vuković, Jelena Parlov; Lovrić, Jasna; Skočibušić, Mirjana; Odžak, Renata; Cindrić, Marina; Vrdoljak, Višnja","Vapour- and solvent-mediated crystalline transformations in Mo(vi) hydrazone complexes controlled by noncovalent interactions","CrystEngComm","2019","21","41","6281","","10.1039/C9CE01273G","","","0.71073","MoKα","","0.021","0.0204","","","0.0501","0.0507","","","","","","1.084","","","","has coordinates","223508","2020-10-21","18:00:00",""
"7234212","7.234","0.0003","13.889","0.0006","10.451","0.0005","90","","100.841","0.004","90","","1031.3","0.08","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H19 Mo N3 O10 S -","- C16 H19 Mo N3 O10 S -","- C32 H38 Mo2 N6 O20 S2 -","2","1","","Mandarić, Mirna; Prugovečki, Biserka; Cvijanović, Danijela; Vuković, Jelena Parlov; Lovrić, Jasna; Skočibušić, Mirjana; Odžak, Renata; Cindrić, Marina; Vrdoljak, Višnja","Vapour- and solvent-mediated crystalline transformations in Mo(vi) hydrazone complexes controlled by noncovalent interactions","CrystEngComm","2019","21","41","6281","","10.1039/C9CE01273G","","","0.71073","MoKα","","0.0212","0.0207","","","0.0508","0.0511","","","","","","1.052","","","","has coordinates","223508","2020-10-21","18:00:00",""
"7234213","6.6377","0.0004","10.1622","0.0006","11.6931","0.0006","97.524","0.005","94.078","0.004","93.698","0.005","777.8","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H13 Mo N3 O6 -","- C14 H13 Mo N3 O6 -","- C28 H26 Mo2 N6 O12 -","2","1","","Mandarić, Mirna; Prugovečki, Biserka; Cvijanović, Danijela; Vuković, Jelena Parlov; Lovrić, Jasna; Skočibušić, Mirjana; Odžak, Renata; Cindrić, Marina; Vrdoljak, Višnja","Vapour- and solvent-mediated crystalline transformations in Mo(vi) hydrazone complexes controlled by noncovalent interactions","CrystEngComm","2019","21","41","6281","","10.1039/C9CE01273G","","","0.71073","MoKα","","0.0776","0.0565","","","0.126","0.1319","","","","","","1.126","","","","has coordinates","223508","2020-10-21","18:00:00",""
"7234214","5.166","0.005","5.694","0.006","17.261","0.017","98.37","0.05","93.01","0.04","98.12","0.06","495.9","0.9","150","","150","","","","","","","","","5","P -1","-P 1","2","","4-cyanopyridine 1,4 diiodooctafluorobutane","","- C16 H8 F8 I2 N4 -","- C16 H8 F8 I2 N4 -","- C16 H8 F8 I2 N4 -","1","0.5","","Torubaev, Yury; Skabitskiy, Ivan V.","The Energy Frameworks of Aufbau Synthon Modules in 4-Cyanopyridine Co-crystals.","CrystEngComm","2019","","","","","10.1039/C9CE01174A","","","0.71073","MoKα","","0.0307","0.0292","","","0.0577","0.0581","","","","","","1.265","","","","has coordinates","218890","2020-10-21","18:00:00",""
"7234215","10.2109","0.001","12.3421","0.0013","12.8953","0.0013","101.776","0.002","99.116","0.002","92.868","0.002","1565.1","0.3","296","","296","","","","","","","","","6","P -1","-P 1","2","","(4-Cyanopyridine)-(h6-p-cymene)-diiodo-ruthenium(ii) 1,4-diiodo-tetrafluorobenzene","","- C25 H18 F6 I5 N2 Ru -","- C25 H18 F6 I5 N2 Ru -","- C50 H36 F12 I10 N4 Ru2 -","2","1","","Torubaev, Yury; Skabitskiy, Ivan V.","The Energy Frameworks of Aufbau Synthon Modules in 4-Cyanopyridine Co-crystals.","CrystEngComm","2019","","","","","10.1039/C9CE01174A","","","0.71073","MoKα","","0.1049","0.0532","","","0.0928","0.1109","","","","","","0.972","","","","has coordinates","218890","2020-10-21","18:00:00",""
"7234216","4.2751","0.0011","27.919","0.007","12.173","0.003","90","","93.964","0.007","90","","1449.5","0.6","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-cyanopyridine 1,3-diiodo-tetrafluorobenzene","","- C12 H4 F4 I2 N2 -","- C12 H4 F4 I2 N2 -","- C48 H16 F16 I8 N8 -","4","1","","Torubaev, Yury; Skabitskiy, Ivan V.","The Energy Frameworks of Aufbau Synthon Modules in 4-Cyanopyridine Co-crystals.","CrystEngComm","2019","","","","","10.1039/C9CE01174A","","","0.71073","MoKα","","0.1672","0.0734","","","0.1216","0.1532","","","","","","0.982","","","","has coordinates","218890","2020-10-21","18:00:00",""
"7234217","4.2421","0.0003","7.0061","0.0006","27.717","0.002","90","","93.154","0.003","90","","822.52","0.11","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-cyanopyridine 1,2-diiodoethene","","- C7 H4 I N2 -","- C7 H4 I N2 -","- C28 H16 I4 N8 -","4","1","","Torubaev, Yury; Skabitskiy, Ivan V.","The Energy Frameworks of Aufbau Synthon Modules in 4-Cyanopyridine Co-crystals.","CrystEngComm","2019","","","","","10.1039/C9CE01174A","","","0.71073","MoKα","","0.0848","0.0543","","","0.0879","0.0947","","","","","","1.179","","","","has coordinates","218890","2020-10-21","18:00:00",""
"7234218","25.095","0.002","11.2129","0.0011","9.1348","0.0008","90","","95.251","0.002","90","","2559.6","0.4","296","2","296","2","","","","","","","","7","C 1 c 1","C -2yc","9","","(4-Cyanopyridine)-(h6-p-cymene)-dichloro-ruthenium(ii) 1,4-diiodo-tetrafluorobenzene","","- C22 H18 Cl2 F4 I2 N2 Ru -","- C22 H18 Cl2 F4 I2 N2 Ru -","- C88 H72 Cl8 F16 I8 N8 Ru4 -","4","1","","Torubaev, Yury; Skabitskiy, Ivan V.","The Energy Frameworks of Aufbau Synthon Modules in 4-Cyanopyridine Co-crystals.","CrystEngComm","2019","","","","","10.1039/C9CE01174A","","","0.71073","MoKα","","0.031","0.0254","","","0.0451","0.0469","","","","","","0.957","","","","has coordinates","218890","2020-10-21","18:00:00",""
"7234219","4.3341","0.0005","6.2294","0.0006","26.005","0.003","88.445","0.004","87.48","0.004","82.788","0.004","695.71","0.13","150","","150","","","","","","","","","5","P -1","-P 1","2","","1,4-diiodotetrafluorobenzene 4-cyanopyridine","","- C12 H4 F4 I2 N2 -","- C12 H4 F4 I2 N2 -","- C24 H8 F8 I4 N4 -","2","1","","Torubaev, Yury; Skabitskiy, Ivan V.","The Energy Frameworks of Aufbau Synthon Modules in 4-Cyanopyridine Co-crystals.","CrystEngComm","2019","","","","","10.1039/C9CE01174A","","","0.71073","MoKα","","0.072","0.0643","","","0.1335","0.1366","","","","","","1.291","","","","has coordinates,has disorder","218890","2020-10-21","18:00:00",""
"7234220","11.609","0.008","13.088","0.009","11.893","0.008","90","","96.479","0.01","90","","1795","2","296","","296","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(4-Cyanopyridine)-(h6-p-cymene)-diiodo-ruthenium(ii)","","- C16 H17 I2 N2 Ru -","- C16 H17 I2 N2 Ru -","- C64 H68 I8 N8 Ru4 -","4","1","","Torubaev, Yury; Skabitskiy, Ivan V.","The Energy Frameworks of Aufbau Synthon Modules in 4-Cyanopyridine Co-crystals.","CrystEngComm","2019","","","","","10.1039/C9CE01174A","","","0.71073","MoKα","","0.0393","0.0292","","","0.0659","0.0712","","","","","","1.054","","","","has coordinates,has disorder","218890","2020-10-21","18:00:00",""
"7234221","13.2","0.003","12.855","0.003","11.449","0.002","90","","90","","90","","1942.7","0.7","220","2","220","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C27 H18 N2 -","- C27 H18 N2 -","- C108 H72 N8 -","4","1","","Gayathri, Parthasarathy; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Aggregation-enhanced emissive mechanofluorochromic carbazole-halogen positional isomers: tunable fluorescence via conformational polymorphism and crystallization-induced fluorescence switching","CrystEngComm","2019","21","43","6604","","10.1039/C9CE01227C","","","0.61","synchrotron","","0.0477","0.0453","","","0.1204","0.122","","","","","","1.034","","","","has coordinates","223535","2020-10-21","18:00:00",""
"7234222","9.487","0.0019","13.015","0.003","15.666","0.003","90","","93.28","0.03","90","","1931.2","0.7","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H18 N2 -","- C27 H18 N2 -","- C108 H72 N8 -","4","1","","Gayathri, Parthasarathy; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Aggregation-enhanced emissive mechanofluorochromic carbazole-halogen positional isomers: tunable fluorescence via conformational polymorphism and crystallization-induced fluorescence switching","CrystEngComm","2019","21","43","6604","","10.1039/C9CE01227C","","","0.6","synchrotron","","0.0575","0.0445","","","0.1234","0.13","","","","","","1.071","","","","has coordinates,has disorder","223535","2020-10-21","18:00:00",""
"7234223","16.062","0.003","15.69","0.003","8.034","0.0016","90","","98.04","0.03","90","","2004.8","0.7","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H17 Cl N2 -","- C27 H17 Cl N2 -","- C108 H68 Cl4 N8 -","4","1","","Gayathri, Parthasarathy; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Aggregation-enhanced emissive mechanofluorochromic carbazole-halogen positional isomers: tunable fluorescence via conformational polymorphism and crystallization-induced fluorescence switching","CrystEngComm","2019","21","43","6604","","10.1039/C9CE01227C","","","0.63","synchrotron","","0.0533","0.0435","","","0.1236","0.1304","","","","","","1.046","","","","has coordinates","223535","2020-10-21","18:00:00",""
"7234224","9.086","0.0018","13.597","0.003","16.25","0.003","90","","97.35","0.03","90","","1991.1","0.7","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H17 Cl N2 -","- C27 H17 Cl N2 -","- C108 H68 Cl4 N8 -","4","1","","Gayathri, Parthasarathy; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Aggregation-enhanced emissive mechanofluorochromic carbazole-halogen positional isomers: tunable fluorescence via conformational polymorphism and crystallization-induced fluorescence switching","CrystEngComm","2019","21","43","6604","","10.1039/C9CE01227C","","","0.63","synchrotron","","0.0661","0.0543","","","0.1695","0.1774","","","","","","1.154","","","","has coordinates,has disorder","223535","2020-10-21","18:00:00",""
"7234225","8.971","0.0018","13.595","0.003","16.421","0.003","90","","96.7","0.03","90","","1989","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H17 Br N2 -","- C27 H17 Br N2 -","- C108 H68 Br4 N8 -","4","1","","Gayathri, Parthasarathy; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Aggregation-enhanced emissive mechanofluorochromic carbazole-halogen positional isomers: tunable fluorescence via conformational polymorphism and crystallization-induced fluorescence switching","CrystEngComm","2019","21","43","6604","","10.1039/C9CE01227C","","","0.6","synchrotron","","0.0451","0.0344","","","0.0908","0.0942","","","","","","1.03","","","","has coordinates","223535","2020-10-21","18:00:00",""
"7234226","13.351","0.003","12.726","0.003","11.533","0.002","90","","90","","90","","1959.5","0.7","220","2","220","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C27 H17 F N2 -","- C27 H17 F N2 -","- C108 H68 F4 N8 -","4","1","","Gayathri, Parthasarathy; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Aggregation-enhanced emissive mechanofluorochromic carbazole-halogen positional isomers: tunable fluorescence via conformational polymorphism and crystallization-induced fluorescence switching","CrystEngComm","2019","21","43","6604","","10.1039/C9CE01227C","","","0.61","synchrotron","","0.0444","0.0437","","","0.116","0.1169","","","","","","1.043","","","","has coordinates","223535","2020-10-21","18:00:00",""
"7234227","9.4","0.0019","13.351","0.003","15.562","0.003","90","","97.44","0.03","90","","1936.6","0.7","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H17 F N2 -","- C27 H17 F N2 -","- C108 H68 F4 N8 -","4","1","","Gayathri, Parthasarathy; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Aggregation-enhanced emissive mechanofluorochromic carbazole-halogen positional isomers: tunable fluorescence via conformational polymorphism and crystallization-induced fluorescence switching","CrystEngComm","2019","21","43","6604","","10.1039/C9CE01227C","","","0.63","synchrotron","","0.0682","0.0559","","","0.1636","0.1716","","","","","","1.097","","","","has coordinates,has disorder","223535","2020-10-21","18:00:00",""
"7234228","9.081","0.0018","13.6","0.003","16.245","0.003","90","","97.35","0.03","90","","1989.8","0.7","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H17 Cl N2 -","- C27 H17 Cl N2 -","- C108 H68 Cl4 N8 -","4","1","","Gayathri, Parthasarathy; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Aggregation-enhanced emissive mechanofluorochromic carbazole-halogen positional isomers: tunable fluorescence via conformational polymorphism and crystallization-induced fluorescence switching","CrystEngComm","2019","21","43","6604","","10.1039/C9CE01227C","","","0.63","synchrotron","","0.0634","0.0545","","","0.166","0.1734","","","","","","1.112","","","","has coordinates,has disorder","223535","2020-10-21","18:00:00",""
"7234229","15.974","0.003","15.801","0.003","7.996","0.0016","90","","98.1","0.03","90","","1998.1","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H17 Br N2 -","- C27 H17 Br N2 -","- C108 H68 Br4 N8 -","4","1","","Gayathri, Parthasarathy; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Aggregation-enhanced emissive mechanofluorochromic carbazole-halogen positional isomers: tunable fluorescence via conformational polymorphism and crystallization-induced fluorescence switching","CrystEngComm","2019","21","43","6604","","10.1039/C9CE01227C","","","0.6","synchrotron","","0.0421","0.0337","","","0.0902","0.0936","","","","","","1.045","","","","has coordinates","223535","2020-10-21","18:00:00",""
"7234230","9.407","0.0019","13.348","0.003","15.571","0.003","90","","97.33","0.03","90","","1939.2","0.7","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H17 F N2 -","- C27 H17 F N2 -","- C108 H68 F4 N8 -","4","1","","Gayathri, Parthasarathy; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Aggregation-enhanced emissive mechanofluorochromic carbazole-halogen positional isomers: tunable fluorescence via conformational polymorphism and crystallization-induced fluorescence switching","CrystEngComm","2019","21","43","6604","","10.1039/C9CE01227C","","","0.63","synchrotron","","0.0546","0.048","","","0.139","0.1445","","","","","","1.06","","","","has coordinates,has disorder","223535","2020-10-21","18:00:00",""
"7234231","14.47","0.003","8.437","0.0017","17.241","0.003","90","","110.23","0.03","90","","1975","0.8","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H17 Cl N2 -","- C27 H17 Cl N2 -","- C108 H68 Cl4 N8 -","4","1","","Gayathri, Parthasarathy; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Aggregation-enhanced emissive mechanofluorochromic carbazole-halogen positional isomers: tunable fluorescence via conformational polymorphism and crystallization-induced fluorescence switching","CrystEngComm","2019","21","43","6604","","10.1039/C9CE01227C","","","0.61","synchrotron","","0.0523","0.0477","","","0.1404","0.1441","","","","","","1.089","","","","has coordinates","223535","2020-10-21","18:00:00",""
"7234233","8.0668","0.0011","10.2716","0.0015","12.5958","0.0017","110.184","0.002","95.022","0.002","105.308","0.002","926.3","0.2","296","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C7 H10 Co Mo3 N3 O15 -","- C7 H10 Co Mo3 N3 O15 -","- C14 H20 Co2 Mo6 N6 O30 -","2","1","","Pan, Xiang; Wang, Xiuli; Wang, Xiang; Li, Yan; Liu, Guocheng; Lin, Hongyan","Various types of isopolymolybdate-based metal‒organic complexes formed in different conditions: synthesis, structures, luminescence, electrochemical, and photocatalytic performances","CrystEngComm","2019","21","42","6472","","10.1039/C9CE01394F","","","0.71073","MoKα","","0.0381","0.0335","","","0.0992","0.1026","","","","","","1.04","","","","has coordinates","223563","2020-10-21","18:00:00",""
"7234234","8.0455","0.0003","10.2229","0.0004","12.4994","0.0005","109.595","0.001","94.998","0.001","105.448","0.001","915.73","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C7 H10 Mo3 N3 Ni O15 -","- C7 H10 Mo3 N3 Ni O15 -","- C14 H20 Mo6 N6 Ni2 O30 -","2","1","","Pan, Xiang; Wang, Xiuli; Wang, Xiang; Li, Yan; Liu, Guocheng; Lin, Hongyan","Various types of isopolymolybdate-based metal‒organic complexes formed in different conditions: synthesis, structures, luminescence, electrochemical, and photocatalytic performances","CrystEngComm","2019","21","42","6472","","10.1039/C9CE01394F","","","0.71073","MoKα","","0.0301","0.0253","","","0.068","0.0706","","","","","","1.044","","","","has coordinates","223563","2020-10-21","18:00:00",""
"7234235","12.2427","0.0005","12.7055","0.0005","12.9947","0.0005","117.286","0.001","101.658","0.001","104.99","0.001","1609.7","0.11","296","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H22 Cd Mo4 N9 O18 -","- C21 H20 Cd Mo4 N9 O18 -","- C42 H40 Cd2 Mo8 N18 O36 -","2","1","","Pan, Xiang; Wang, Xiuli; Wang, Xiang; Li, Yan; Liu, Guocheng; Lin, Hongyan","Various types of isopolymolybdate-based metal‒organic complexes formed in different conditions: synthesis, structures, luminescence, electrochemical, and photocatalytic performances","CrystEngComm","2019","21","42","6472","","10.1039/C9CE01394F","","","0.71073","MoKα","","0.0476","0.0335","","","0.0677","0.0734","","","","","","1.032","","","","has coordinates","223563","2020-10-21","18:00:00",""
"7234236","8.1287","0.0011","11.5708","0.0016","15.695","0.002","105.595","0.003","101.843","0.002","104.487","0.002","1316.6","0.3","296","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H18 Mo4 N6 O18 Zn -","- C14 H16 Mo4 N6 O18 Zn -","- C28 H32 Mo8 N12 O36 Zn2 -","2","1","","Pan, Xiang; Wang, Xiuli; Wang, Xiang; Li, Yan; Liu, Guocheng; Lin, Hongyan","Various types of isopolymolybdate-based metal‒organic complexes formed in different conditions: synthesis, structures, luminescence, electrochemical, and photocatalytic performances","CrystEngComm","2019","21","42","6472","","10.1039/C9CE01394F","","","0.71073","MoKα","","0.0554","0.0361","","","0.0729","0.0811","","","","","","1.013","","","","has coordinates","223563","2020-10-21","18:00:00",""
"7234237","12.9855","0.0005","19.6775","0.0007","7.6312","0.0003","90","","102.926","0.001","90","","1900.53","0.12","296","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H14 Mo3 N6 O13 Zn -","- C10 H14 Mo3 N6 O13 Zn -","- C40 H56 Mo12 N24 O52 Zn4 -","4","1","","Pan, Xiang; Wang, Xiuli; Wang, Xiang; Li, Yan; Liu, Guocheng; Lin, Hongyan","Various types of isopolymolybdate-based metal‒organic complexes formed in different conditions: synthesis, structures, luminescence, electrochemical, and photocatalytic performances","CrystEngComm","2019","21","42","6472","","10.1039/C9CE01394F","","","0.71073","MoKα","","0.0291","0.0228","","","0.0578","0.0608","","","","","","1.018","","","","has coordinates","223563","2020-10-21","18:00:00",""
"7234253","19.5322","0.0006","6.80496","0.00014","32.4249","0.0011","90","","106.039","0.004","90","","4142","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C88 H62 Co3 N28 O4 -","- C88 H62 Co3 N28 O4 -","- C176 H124 Co6 N56 O8 -","2","0.5","","Zhao, Fei; Dong, Zhen-Peng; Liu, Zhiliang; Wang, Yan-Qin","An unusual homospin CoII ferrimagnetic single-chain magnet with large hysteresis","CrystEngComm","2019","","","","","10.1039/C9CE01246J","","","1.54184","CuKα","","0.0753","0.0531","","","0.1226","0.1363","","","","","","1.028","","","","has coordinates,has disorder","218945","2020-10-21","18:00:00",""
"7234275","7.293","0.0015","7.0892","0.0014","14.699","0.003","90","","90","","90","","760","0.3","153.15","","153.15","","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- Li2 Na2 O9 P2 Ti -","- Li2 Na2 O9 P2 Ti -","- Li8 Na8 O36 P8 Ti4 -","4","0.5","","Duan, Meihong; Li, Rukang","Li2Na2TiP2O9: an ordered Na4TiP2O9-type crystal with ion-exchange properties","CrystEngComm","2019","21","43","6514","","10.1039/C9CE01314H","","","0.71073","MoKα","","0.1016","0.0835","","","0.164","0.1739","","","","","","1.208","","","","has coordinates","223538","2020-10-21","18:00:00",""
"7234276","4.1332","0.0005","8.4034","0.0009","10.1872","0.0011","90.8565","0.0014","96.407","0.0014","101.47","0.0015","344.35","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","1","","- C10 H8 Cl2 I2 N2 Pd -","- C10 H8 Cl2 I2 N2 Pd -","- C10 H8 Cl2 I2 N2 Pd -","1","0.5","","Mroz, D.; George, J.; Kremer, M.; Wang, R.; Englert, U.; Dronskowski, R.","A new tool for validating theoretically derived anisotropic displacement parameters with experiment: directionality of prolate displacement ellipsoids","CrystEngComm","2019","21","42","6396","","10.1039/C9CE00794F","","","0.71073","MoKα","","0.0248","0.0205","","","0.0475","0.0491","","","","","","1.104","","","","has coordinates","223562","2020-10-21","18:00:00",""
"7234277","7.5636","0.00011","6.5661","0.0001","9.5826","0.00013","90","","116.607","0.0009","90","","425.506","0.011","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3","","- C4 H12 N2 Ni O6 -","- C4 H12 N2 Ni O6 -","- C8 H24 N4 Ni2 O12 -","2","0.5","","Mroz, D.; George, J.; Kremer, M.; Wang, R.; Englert, U.; Dronskowski, R.","A new tool for validating theoretically derived anisotropic displacement parameters with experiment: directionality of prolate displacement ellipsoids","CrystEngComm","2019","21","42","6396","","10.1039/C9CE00794F","","","0.71073","MoKα","","0.0226","0.0203","","","0.0484","0.0495","","","","","","1.067","","","","has coordinates","223562","2020-10-21","18:00:00",""
"7234278","8.505","0.004","9.781","0.004","7.345","0.003","90","","96.148","0.007","90","","607.5","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2","","- C6 H14 N4 Ni O2 S2 -","- C6 H14 N4 Ni O2 S2 -","- C12 H28 N8 Ni2 O4 S4 -","2","0.5","","Mroz, D.; George, J.; Kremer, M.; Wang, R.; Englert, U.; Dronskowski, R.","A new tool for validating theoretically derived anisotropic displacement parameters with experiment: directionality of prolate displacement ellipsoids","CrystEngComm","2019","21","42","6396","","10.1039/C9CE00794F","","","0.71073","MoKα","","0.0339","0.0277","","","0.0625","0.0652","","","","","","1.047","","","","has coordinates","223562","2020-10-21","18:00:00",""
"7234310","9.27","0.003","10.612","0.003","17.42","0.007","86.182","0.008","76.13","0.009","66.631","0.005","1526.4","0.9","297","2","297","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H34 Cl2 Cu2 N4 O7 -","- C29 H34 Cl2 Cu2 N4 O7 -","- C58 H68 Cl4 Cu4 N8 O14 -","2","1","","Kar, Paramita; Franconetti, Antonio; Ghosh, Ashutosh; Frontera, Antonio","Chloranilate bridged dinuclear copper(II) complexes: Syn-anti geometry tuned by steric factor and supramolecular interactions","CrystEngComm","2019","","","","","10.1039/C9CE00705A","","","0.71073","MoKα","","0.1367","0.0894","","","0.2335","0.2817","","","","","","1.016","","","","has coordinates","219051","2020-10-21","18:00:00",""
"7234311","9.1624","0.0014","22.44","0.003","14.897","0.002","90","","96.832","0.003","90","","3041.1","0.7","297","2","297","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H30 Cl2 Cu2 N4 O6 -","- C28 H30 Cl2 Cu2 N4 O6 -","- C112 H120 Cl8 Cu8 N16 O24 -","4","1","","Kar, Paramita; Franconetti, Antonio; Ghosh, Ashutosh; Frontera, Antonio","Chloranilate bridged dinuclear copper(II) complexes: Syn-anti geometry tuned by steric factor and supramolecular interactions","CrystEngComm","2019","","","","","10.1039/C9CE00705A","","","0.71073","MoKα","","0.1062","0.0541","","","0.1006","0.118","","","","","","0.99","","","","has coordinates,has disorder","219051","2020-10-21","18:00:00",""
"7234312","15.9212","0.001","10.6452","0.0006","17.4129","0.001","90","","111.849","0.001","90","","2739.2","0.3","293","2","293.24","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H26 Cl2 Cu2 N4 O6 -","- C26 H26 Cl2 Cu2 N4 O6 -","- C104 H104 Cl8 Cu8 N16 O24 -","4","0.5","","Kar, Paramita; Franconetti, Antonio; Ghosh, Ashutosh; Frontera, Antonio","Chloranilate bridged dinuclear copper(II) complexes: Syn-anti geometry tuned by steric factor and supramolecular interactions","CrystEngComm","2019","","","","","10.1039/C9CE00705A","","","0.71073","MoKα","","0.0666","0.0547","","","0.1569","0.1648","","","","","","1.12","","","","has coordinates","219051","2020-10-21","18:00:00",""
"7234313","9.4213","0.0009","10.8123","0.001","17.2301","0.0015","86.303","0.002","76.51","0.002","66.74","0.002","1567.3","0.3","292","2","292","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H33 Cl2 Cu2 N5 O6 -","- C30 H33 Cl2 Cu2 N5 O6 -","- C60 H66 Cl4 Cu4 N10 O12 -","2","1","","Kar, Paramita; Franconetti, Antonio; Ghosh, Ashutosh; Frontera, Antonio","Chloranilate bridged dinuclear copper(II) complexes: Syn-anti geometry tuned by steric factor and supramolecular interactions","CrystEngComm","2019","","","","","10.1039/C9CE00705A","","","0.71073","MoKα","","0.0917","0.0623","","","0.1698","0.1896","","","","","","1.038","","","","has coordinates","219051","2020-10-21","18:00:00",""
"7234314","26.035","0.008","4.7746","0.0016","9.927","0.004","90","","99.8","0.02","90","","1216","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 I N3 O -","- C11 H10 I N3 O -","- C44 H40 I4 N12 O4 -","4","1","","Sarkar, Nandini; Sinha, Abhijeet S.; Aakeröy, Christer B.","Systematic investigation of hydrogen-bond propensities for informing co-crystal design and assembly","CrystEngComm","2019","21","40","6048","","10.1039/C9CE01196J","","","0.71073","MoKα","","0.0824","0.0463","","","0.1433","0.1792","","","","","","1.081","","","","has coordinates","223629","2020-10-21","18:00:00",""
"7234315","10.478","0.003","10.115","0.003","13.052","0.004","90","","106.83","0.012","90","","1324.1","0.7","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N3 O2 -","- C14 H14 N3 O2 -","- C56 H56 N12 O8 -","4","1","","Sarkar, Nandini; Sinha, Abhijeet S.; Aakeröy, Christer B.","Systematic investigation of hydrogen-bond propensities for informing co-crystal design and assembly","CrystEngComm","2019","21","40","6048","","10.1039/C9CE01196J","","","0.71073","MoKα","","0.0942","0.0489","","","0.1188","0.1422","","","","","","1.016","","","","has coordinates","223629","2020-10-21","18:00:00",""
"7234316","4.446","0.0014","13.03","0.004","19.52","0.007","90","","90","","90","","1130.8","0.6","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H8 I N3 -","- C11 H8 I N3 -","- C44 H32 I4 N12 -","4","1","","Sarkar, Nandini; Sinha, Abhijeet S.; Aakeröy, Christer B.","Systematic investigation of hydrogen-bond propensities for informing co-crystal design and assembly","CrystEngComm","2019","21","40","6048","","10.1039/C9CE01196J","","","0.71073","MoKα","","0.1254","0.0539","","","0.0871","0.1061","","","","","","0.972","","","","has coordinates","223629","2020-10-21","18:00:00",""
"7234353","8.9732","0.0005","9.5401","0.0005","10.9902","0.0006","82.2592","0.0019","72.1344","0.0017","65.707","0.0016","816.12","0.08","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 N2 O4 -","- C18 H22 N2 O4 -","- C36 H44 N4 O8 -","2","1","","Devogelaer, Jan-Joris; Brugman, Sander J.T.; meekes, hugo; Tinnemans, Paul T.; Vlieg, Elias; de Gelder, Rene","Cocrystal design by network-based link prediction","CrystEngComm","2019","","","","","10.1039/C9CE01110B","","","0.71073","MoKα","","0.0473","0.0366","","","0.1079","0.116","","","","","","1.03","","","","has coordinates","219081","2020-10-21","18:00:00",""
"7234354","8.6104","0.0003","6.8302","0.0002","19.1092","0.0008","90","","101.76","0.0014","90","","1100.24","0.07","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 N2 O6 -","- C26 H24 N2 O6 -","- C52 H48 N4 O12 -","2","0.5","","Devogelaer, Jan-Joris; Brugman, Sander J.T.; meekes, hugo; Tinnemans, Paul T.; Vlieg, Elias; de Gelder, Rene","Cocrystal design by network-based link prediction","CrystEngComm","2019","","","","","10.1039/C9CE01110B","","","0.71073","MoKα","","0.0625","0.0426","","","0.1203","0.134","","","","","","1.038","","","","has coordinates","219081","2020-10-21","18:00:00",""
"7234355","9.5746","0.0004","4.6618","0.0002","16.122","0.0007","90","","107.035","0.002","90","","688.03","0.05","150","2","150","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C15 H14 N2 O4 -","- C15 H14 N2 O4 -","- C30 H28 N4 O8 -","2","0.5","","Devogelaer, Jan-Joris; Brugman, Sander J.T.; meekes, hugo; Tinnemans, Paul T.; Vlieg, Elias; de Gelder, Rene","Cocrystal design by network-based link prediction","CrystEngComm","2019","","","","","10.1039/C9CE01110B","","","0.71073","MoKα","","0.0682","0.0497","","","0.1577","0.1687","","","","","","1.247","","","","has coordinates,has disorder","219081","2020-10-21","18:00:00",""
"7234356","16.3686","0.0005","6.9285","0.0002","9.5207","0.0003","90","","123.449","0.0012","90","","900.92","0.05","150","2","150","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C14 H24 N2 O10 -","- C14 H24 N2 O10 -","- C28 H48 N4 O20 -","2","0.25","","Devogelaer, Jan-Joris; Brugman, Sander J.T.; meekes, hugo; Tinnemans, Paul T.; Vlieg, Elias; de Gelder, Rene","Cocrystal design by network-based link prediction","CrystEngComm","2019","","","","","10.1039/C9CE01110B","","","0.71073","MoKα","","0.0418","0.0365","","","0.1055","0.1094","","","","","","1.085","","","","has coordinates","219081","2020-10-21","18:00:00",""
"7234357","13.0785","0.0006","4.9373","0.0002","18.7535","0.0009","90","","106.176","0.003","90","","1163.02","0.09","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H22 N2 O8 -","- C28 H22 N2 O8 -","- C56 H44 N4 O16 -","2","0.5","","Devogelaer, Jan-Joris; Brugman, Sander J.T.; meekes, hugo; Tinnemans, Paul T.; Vlieg, Elias; de Gelder, Rene","Cocrystal design by network-based link prediction","CrystEngComm","2019","","","","","10.1039/C9CE01110B","","","0.71073","MoKα","","0.0651","0.0449","","","0.1225","0.1356","","","","","","1.007","","","","has coordinates","219081","2020-10-21","18:00:00",""
"7234358","3.677","0.003","10.505","0.007","10.652","0.007","66.88","0.02","85.72","0.02","81.68","0.02","374.4","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H14 N2 O8 -","- C16 H14 N2 O8 -","- C16 H14 N2 O8 -","1","0.5","","Devogelaer, Jan-Joris; Brugman, Sander J.T.; meekes, hugo; Tinnemans, Paul T.; Vlieg, Elias; de Gelder, Rene","Cocrystal design by network-based link prediction","CrystEngComm","2019","","","","","10.1039/C9CE01110B","","","0.71073","MoKα","","0.0879","0.0596","","","0.1621","0.1791","","","","","","1.038","","","","has coordinates","219081","2020-10-21","18:00:00",""
"7234359","8.1387","0.0007","9.6821","0.0008","19.0927","0.0016","102.62","0.003","90.125","0.003","107.58","0.003","1395.8","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C64 H50 N10 O16 -","- C64 H50 N10 O16 -","- C64 H50 N10 O16 -","1","0.5","","Devogelaer, Jan-Joris; Brugman, Sander J.T.; meekes, hugo; Tinnemans, Paul T.; Vlieg, Elias; de Gelder, Rene","Cocrystal design by network-based link prediction","CrystEngComm","2019","","","","","10.1039/C9CE01110B","","","0.71073","MoKα","","0.119","0.0567","","","0.155","0.189","","","","","","1.04","","","","has coordinates,has disorder","219081","2020-10-21","18:00:00",""
"7234360","9.5773","0.0005","10.7505","0.0006","10.9564","0.0006","96.199","0.002","97.7308","0.0019","113.727","0.0018","1006.87","0.1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H28 N2 O4 -","- C22 H28 N2 O4 -","- C44 H56 N4 O8 -","2","1","","Devogelaer, Jan-Joris; Brugman, Sander J.T.; meekes, hugo; Tinnemans, Paul T.; Vlieg, Elias; de Gelder, Rene","Cocrystal design by network-based link prediction","CrystEngComm","2019","","","","","10.1039/C9CE01110B","","","0.71073","MoKα","","0.0718","0.045","","","0.1237","0.141","","","","","","1.014","","","","has coordinates","219081","2020-10-21","18:00:00",""
"7234361","8.4722","0.0008","8.6319","0.0008","11.8009","0.0012","108.849","0.003","98.114","0.003","97.134","0.003","795.17","0.13","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H17 N3 O2 -","- C19 H17 N3 O2 -","- C38 H34 N6 O4 -","2","1","","Devogelaer, Jan-Joris; Brugman, Sander J.T.; meekes, hugo; Tinnemans, Paul T.; Vlieg, Elias; de Gelder, Rene","Cocrystal design by network-based link prediction","CrystEngComm","2019","","","","","10.1039/C9CE01110B","","","0.71073","MoKα","","0.0799","0.0564","","","0.1379","0.1516","","","","","","1.027","","","","has coordinates,has disorder","219081","2020-10-21","18:00:00",""
"7234362","11.4554","0.0006","14.1808","0.0007","15.2055","0.0008","104.905","0.002","94.946","0.002","111.852","0.002","2169.4","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H48 N8 O6 -","- C50 H46 N8 O6 -","- C100 H92 N16 O12 -","2","1","","Devogelaer, Jan-Joris; Brugman, Sander J.T.; meekes, hugo; Tinnemans, Paul T.; Vlieg, Elias; de Gelder, Rene","Cocrystal design by network-based link prediction","CrystEngComm","2019","","","","","10.1039/C9CE01110B","","","0.71073","MoKα","","0.0971","0.0601","","","0.1492","0.1754","","","","","","1.028","","","","has coordinates","219081","2020-10-21","18:00:00",""
"7234363","7.5267","0.0006","9.8209","0.0007","18.1895","0.0014","90","","90.747","0.003","90","","1344.43","0.18","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H14 N2 O2 -","- C16 H14 N2 O2 -","- C64 H56 N8 O8 -","4","2","","Devogelaer, Jan-Joris; Brugman, Sander J.T.; meekes, hugo; Tinnemans, Paul T.; Vlieg, Elias; de Gelder, Rene","Cocrystal design by network-based link prediction","CrystEngComm","2019","","","","","10.1039/C9CE01110B","","","0.71073","MoKα","","0.0607","0.0412","","","0.1089","0.1225","","","","","","0.883","","","","has coordinates","219081","2020-10-21","18:00:00",""
"7234391","7.3622","0.0012","7.8278","0.0013","9.5248","0.0018","73.758","0.015","69.604","0.016","68.658","0.015","471.81","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H8 N2 O S -","- C10 H8 N2 O S -","- C20 H16 N4 O2 S2 -","2","1","","Shishkina, Svitlana V.; Konovalova, Irina S.; Kovalenko, Sergiy Mykolayovich; Trostianko , Pavlo V.; Geleverya, Anna O.; Bunyatyan, Natalya D.","Hydrogen bonding vs stacking interaction in the crystals of the simplest coumarin derivatives: study from the energetic viewpoint","CrystEngComm","2019","","","","","10.1039/C9CE01344J","","","0.71073","MoKα","","0.1021","0.0718","","","0.1636","0.1898","","","","","","0.985","","","","has coordinates","219101","2020-10-21","18:00:00",""
"7234392","4.726","0.0009","14.633","0.003","12.5056","0.0017","90","","93.97","0.014","90","","862.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 N2 O2 -","- C10 H8 N2 O2 -","- C40 H32 N8 O8 -","4","1","","Shishkina, Svitlana V.; Konovalova, Irina S.; Kovalenko, Sergiy Mykolayovich; Trostianko , Pavlo V.; Geleverya, Anna O.; Bunyatyan, Natalya D.","Hydrogen bonding vs stacking interaction in the crystals of the simplest coumarin derivatives: study from the energetic viewpoint","CrystEngComm","2019","","","","","10.1039/C9CE01344J","","","0.71073","MoKα","","0.2195","0.0879","","","0.2096","0.2744","","","","","","0.874","","","","has coordinates","219101","2020-10-21","18:00:00",""
"7234393","4.763","0.0002","14.344","0.0009","12.3505","0.0007","90","","95.601","0.005","90","","839.76","0.08","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H7 N O3 -","- C10 H7 N O3 -","- C40 H28 N4 O12 -","4","1","","Shishkina, Svitlana V.; Konovalova, Irina S.; Kovalenko, Sergiy Mykolayovich; Trostianko , Pavlo V.; Geleverya, Anna O.; Bunyatyan, Natalya D.","Hydrogen bonding vs stacking interaction in the crystals of the simplest coumarin derivatives: study from the energetic viewpoint","CrystEngComm","2019","","","","","10.1039/C9CE01344J","","","0.71073","MoKα","","0.0545","0.0445","","","0.1214","0.1307","","","","","","1.081","","","","has coordinates","219101","2020-10-21","18:00:00",""
"7234394","11.3493","0.001","5.6476","0.0004","14.2419","0.001","90","","100.689","0.008","90","","897.01","0.12","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H7 N O2 S -","- C10 H7 N O2 S -","- C40 H28 N4 O8 S4 -","4","1","","Shishkina, Svitlana V.; Konovalova, Irina S.; Kovalenko, Sergiy Mykolayovich; Trostianko , Pavlo V.; Geleverya, Anna O.; Bunyatyan, Natalya D.","Hydrogen bonding vs stacking interaction in the crystals of the simplest coumarin derivatives: study from the energetic viewpoint","CrystEngComm","2019","","","","","10.1039/C9CE01344J","","","0.71073","MoKα","","0.0646","0.0502","","","0.1296","0.1466","","","","","","1.033","","","","has coordinates","219101","2020-10-21","18:00:00",""
"7234395","12.4552","0.0012","14.2434","0.0014","13.5827","0.0013","90","","101.738","0.003","90","","2359.2","0.4","296","2","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 N4 -","- C32 H24 N4 -","- C128 H96 N16 -","4","1","","Hu, Wangqin; Yang, Wen; Gong, Tingfeng; Zhou, Weiqun; Zhang, Yuhan","Multi-stimuli responsive properties switch by intra- and inter-molecular charge transfer constructed from triphenylamine derivative","CrystEngComm","2019","21","43","6630","","10.1039/C9CE01217F","","","0.71073","MoKα","","0.0789","0.0587","","","0.156","0.1731","","","","","","1.086","","","","has coordinates","223534","2020-10-21","18:00:00",""
"7234434","20.823","0.004","12.791","0.003","22.346","0.004","90","","103.89","0.03","90","","5778","2","113","","113","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H14 Dy2 F36 N4 O14 -","- C38 H14 Dy2 F36 N4 O14 -","- C152 H56 Dy8 F144 N16 O56 -","4","0.5","","Wang, Juan; Yang, Mingfang; Sun, Juan; Li, Hui; Liu, Jinjin; Wang, Qinglun; Li, Licun; Ma, Yue; Zhao, Bin; Cheng, Peng","Enhancing the energy barrier of dysprosium(iii) single-molecule magnets by tuning the magnetic interactions through different N-oxide bridging ligands","CrystEngComm","2019","21","41","6219","","10.1039/C9CE01378D","","","0.71073","MoKα","","0.107","0.0531","","","0.0814","0.0956","","","","","","0.998","","","","has coordinates,has disorder","223509","2020-10-21","18:00:00",""
"7234435","21.08","0.004","12.93","0.003","22.428","0.005","90","","104.26","0.03","90","","5925","2","133.15","","133.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H14 F36 N4 O14 Tb2 -","- C38 H14 F36 N4 O14 Tb2 -","- C152 H56 F144 N16 O56 Tb8 -","4","0.5","","Wang, Juan; Yang, Mingfang; Sun, Juan; Li, Hui; Liu, Jinjin; Wang, Qinglun; Li, Licun; Ma, Yue; Zhao, Bin; Cheng, Peng","Enhancing the energy barrier of dysprosium(iii) single-molecule magnets by tuning the magnetic interactions through different N-oxide bridging ligands","CrystEngComm","2019","21","41","6219","","10.1039/C9CE01378D","","","0.71073","MoKα","","0.0827","0.0671","","","0.1717","0.1879","","","","","","1.173","","","","has coordinates","223509","2020-10-21","18:00:00",""
"7234436","20.537","0.004","12.827","0.003","21.849","0.004","90","","104.98","0.03","90","","5560","2","113","","113","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H14 F36 Ho2 N4 O14 -","- C38 H14 F36 Ho2 N4 O14 -","- C152 H56 F144 Ho8 N16 O56 -","4","0.5","","Wang, Juan; Yang, Mingfang; Sun, Juan; Li, Hui; Liu, Jinjin; Wang, Qinglun; Li, Licun; Ma, Yue; Zhao, Bin; Cheng, Peng","Enhancing the energy barrier of dysprosium(iii) single-molecule magnets by tuning the magnetic interactions through different N-oxide bridging ligands","CrystEngComm","2019","21","41","6219","","10.1039/C9CE01378D","","","0.71073","MoKα","","0.0312","0.0277","","","0.0596","0.0611","","","","","","1.065","","","","has coordinates","223509","2020-10-21","18:00:00",""
"7234437","24.768","0.008","15.634","0.004","19.349","0.006","90","","123.945","0.005","90","","6215","3","113","","113","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H11 F18 N2 O8 Tb -","- C25 H11 F18 N2 O8 Tb -","- C200 H88 F144 N16 O64 Tb8 -","8","1","","Wang, Juan; Yang, Mingfang; Sun, Juan; Li, Hui; Liu, Jinjin; Wang, Qinglun; Li, Licun; Ma, Yue; Zhao, Bin; Cheng, Peng","Enhancing the energy barrier of dysprosium(iii) single-molecule magnets by tuning the magnetic interactions through different N-oxide bridging ligands","CrystEngComm","2019","21","41","6219","","10.1039/C9CE01378D","","","0.71073","MoKα","","0.0769","0.0758","","","0.2162","0.2169","","","","","","0.971","","","","has coordinates","223509","2020-10-21","18:00:00",""
"7234438","24.222","0.006","16.502","0.007","19.343","0.008","90","","122.37","0.02","90","","6530","4","133.15","","133.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H11 Dy F18 N2 O8 -","- C25 H11 Dy F18 N2 O8 -","- C200 H88 Dy8 F144 N16 O64 -","8","1","","Wang, Juan; Yang, Mingfang; Sun, Juan; Li, Hui; Liu, Jinjin; Wang, Qinglun; Li, Licun; Ma, Yue; Zhao, Bin; Cheng, Peng","Enhancing the energy barrier of dysprosium(iii) single-molecule magnets by tuning the magnetic interactions through different N-oxide bridging ligands","CrystEngComm","2019","21","41","6219","","10.1039/C9CE01378D","","","0.71073","MoKα","","0.0963","0.0557","","","0.1444","0.1835","","","","","","1.079","","","","has coordinates","223509","2020-10-21","18:00:00",""
"7234439","24.135","0.005","16.538","0.003","19.338","0.004","90","","122.23","0.03","90","","6529","3","133.15","","133.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H11 F18 Ho N2 O8 -","- C25 H11 F18 Ho N2 O8 -","- C200 H88 F144 Ho8 N16 O64 -","8","1","","Wang, Juan; Yang, Mingfang; Sun, Juan; Li, Hui; Liu, Jinjin; Wang, Qinglun; Li, Licun; Ma, Yue; Zhao, Bin; Cheng, Peng","Enhancing the energy barrier of dysprosium(iii) single-molecule magnets by tuning the magnetic interactions through different N-oxide bridging ligands","CrystEngComm","2019","21","41","6219","","10.1039/C9CE01378D","","","0.71073","MoKα","","0.0624","0.0482","","","0.1238","0.1348","","","","","","1.018","","","","has coordinates","223509","2020-10-21","18:00:00",""
"7234440","16.9943","0.0007","14.9296","0.0005","17.2155","0.0006","90","","117.37","0.005","90","","3878.9","0.3","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Fe(PM-PeA)2(NCSe)2]-polymorph-II","","- C42 H28 Fe N6 Se2 -","- C42 H28 Fe N6 Se2 -","- C168 H112 Fe4 N24 Se8 -","4","1","","Tailleur, Elodie; Marchivie, Mathieu; Negrier, Philippe; Denux, Dominique; Massip, Stéphane; Mondieig, Denise; Chastanet, Guillaume; Guionneau, Philippe","Using polymorphism to master the spin crossover mechanism in [Fe(PM-PeA)2(NCSe)2]","CrystEngComm","2019","21","41","6246","","10.1039/C9CE01137D","","x-ray","1.54184","CuKα","","0.0737","0.0561","","","0.1645","0.1775","","","","","","1.056","","","","has coordinates","223507","2020-10-21","18:00:00",""
"7234441","16.8161","0.0003","14.6779","0.0002","17.1039","0.0003","90","","117.901","0.003","90","","3730.93","0.15","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Fe(PM-PeA)2(NCSe)2]_polymorph-II","","- C42 H28 Fe N6 Se2 -","- C42 H28 Fe N6 Se2 -","- C168 H112 Fe4 N24 Se8 -","4","1","","Tailleur, Elodie; Marchivie, Mathieu; Negrier, Philippe; Denux, Dominique; Massip, Stéphane; Mondieig, Denise; Chastanet, Guillaume; Guionneau, Philippe","Using polymorphism to master the spin crossover mechanism in [Fe(PM-PeA)2(NCSe)2]","CrystEngComm","2019","21","41","6246","","10.1039/C9CE01137D","","x-ray","1.54184","CuKα","","0.0529","0.0492","","","0.1422","0.1452","","","","","","1.021","","","","has coordinates","223507","2020-10-21","18:00:00",""
"7234442","12.1386","0.0006","18.463","0.0009","13.0343","0.0006","90","","102.918","0.005","90","","2847.2","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Brexpiprazole Catechol Co-crystal","","- C31 H33 N3 O4 S -","- C31 H33 N3 O4 S -","- C124 H132 N12 O16 S4 -","4","1","","Arabiani, Mohsin Razakbhai; Bal Raju, K.; Bhunia, Surojit; Teja, Pyla Kranthi; Lodagekar, Anurag; Chavan, Rahul B.; Shastri, Nalini R.; Reddy, Chilla Malla; Shelat, Pragna; Dave, Divyang","Brexpiprazole-Catechol Cocrystal: Structure Elucidation, Excipient Compatibility and Stability","CrystEngComm","2019","","","","","10.1039/C9CE01182J","","x-ray","0.71073","MoKα","","0.0912","0.0558","","","0.1087","0.1251","","","","","","1.042","","","","has coordinates","219142","2020-10-21","18:00:00",""
"7234508","17.398","0.0008","12.761","0.0004","8.551","0.0003","90","","101.51","0.004","90","","1860.28","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Cu N2 O7 -","- C20 H16 Cu N2 O7 -","- C80 H64 Cu4 N8 O28 -","4","1","","He, Yuan-Chun; Zhang, Jie; Xiao, Li-Yuan; Yuan, Zi-Han; Yu, Yang; Wang, Yan; Zhu, Kunlei; Kan, Wei-Qiu","A Novel Coordination Polymer based on a New Multidentate Ligand: Synthesis, Structure and Properties","CrystEngComm","2019","","","","","10.1039/C9CE01307E","","","0.71069","MoKα","","0.0646","0.0439","","","0.0986","0.1094","","","","","","1.04","","","","has coordinates,has disorder","219229","2020-10-21","18:00:00",""
"7234509","10.6508","0.0009","14.5943","0.0013","7.9248","0.0006","90","","107.384","0.003","90","","1175.57","0.17","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H20 N2 O4 -","- C9 H20 N2 O4 -","- C36 H80 N8 O16 -","4","1","","Yang, Pengpeng; Li, Xiaojie; Liu, Haodong; Li, Zihan; Liu, Jun; Zhuang, Wei; Wu, Jianglan; Ying, Hanjie","Thermodynamics, Crystal structure, and Characterization of Bio-based Nylon 54 monomer.","CrystEngComm","2019","","","","","10.1039/C9CE01204D","","","0.71073","MoKα","","0.0763","0.0547","","","0.1493","0.1655","","","","","","1.051","","","","has coordinates,has disorder","219230","2020-10-21","18:00:00",""
"7234527","11.6125","0.0007","12.4","0.0009","13.7567","0.001","89.154","0.006","79.572","0.005","87.827","0.005","1946.7","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H104 F6 N14 O4 Si -","- C76 H104 F6 N14 O4 Si -","- C76 H104 F6 N14 O4 Si -","1","0.5","","Nayak, Biswajit; Halder, Senjuti; De, Sagnik; Das, Gopal","Binding Consistency of Anion by Effect of Aromatic Meta-Substitution of Bis-urea Receptors: Entrapment of Hexafluorosilicate Clusters","CrystEngComm","2019","","","","","10.1039/C9CE01485C","","","0.71073","MoKα","","0.1422","0.0857","","","0.2315","0.2754","","","","","","1.161","","","","has coordinates","219264","2020-10-21","18:00:00",""
"7234528","9.5769","0.0003","20.4478","0.0008","37.235","0.0012","92.209","0.003","92.601","0.003","103.469","0.003","7074.7","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C130 H194 F12 N22 O7 Si2 -","- C130 H194 F12 N22 O7 Si2 -","- C260 H388 F24 N44 O14 Si4 -","2","1","","Nayak, Biswajit; Halder, Senjuti; De, Sagnik; Das, Gopal","Binding Consistency of Anion by Effect of Aromatic Meta-Substitution of Bis-urea Receptors: Entrapment of Hexafluorosilicate Clusters","CrystEngComm","2019","","","","","10.1039/C9CE01485C","","","0.71","MoKα","","0.2499","0.0805","","","0.1256","0.1842","","","","","","1.052","","","","has coordinates","219264","2020-10-21","18:00:00",""
"7234529","11.398","0.0003","11.8157","0.0003","16.3102","0.0004","96.121","0.001","96.47","0.002","114.2","0.001","1962.28","0.09","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H104 F6 N14 O4 Si -","- C76 H104 F6 N14 O4 Si -","- C76 H104 F6 N14 O4 Si -","1","0.5","","Nayak, Biswajit; Halder, Senjuti; De, Sagnik; Das, Gopal","Binding Consistency of Anion by Effect of Aromatic Meta-Substitution of Bis-urea Receptors: Entrapment of Hexafluorosilicate Clusters","CrystEngComm","2019","","","","","10.1039/C9CE01485C","","","0.71073","MoKα","","0.0724","0.0478","","","0.1333","0.1476","","","","","","0.876","","","","has coordinates,has disorder","219264","2020-10-21","18:00:00",""
"7234530","4.0393","0.0001","11.2187","0.0004","16.2922","0.0004","90","","90","","90","","738.29","0.04","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Fluoro-6-(pyrazol-1-yl)pyridine","","- C8 H6 F N3 -","- C8 H6 F N3 -","- C32 H24 F4 N12 -","4","1","","Galadzhun, Iurii; Capel Berdiell, Izar; Shahid, Namrah; Halcrow, Malcolm A.","An iron(ii) coordination polymer of a triazolyl tris-heterocycle showing a spin state conversion triggered by loss of lattice solvent","CrystEngComm","2019","21","42","6330","","10.1039/C9CE01496A","","","1.54184","CuKα","","0.0293","0.0277","","","0.077","0.0786","","","","","","1.079","","","","has coordinates","223554","2020-10-21","18:00:00",""
"7234531","12.5794","0.0009","3.8549","0.0003","20.4981","0.0014","90","","103.627","0.007","90","","966.02","0.12","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-(Pyrazol-1-yl)-6-(1,2,4-triazol-1-yl)pyridine","","- C10 H8 N6 -","- C10 H8 N6 -","- C40 H32 N24 -","4","1","","Galadzhun, Iurii; Capel Berdiell, Izar; Shahid, Namrah; Halcrow, Malcolm A.","An iron(ii) coordination polymer of a triazolyl tris-heterocycle showing a spin state conversion triggered by loss of lattice solvent","CrystEngComm","2019","21","42","6330","","10.1039/C9CE01496A","","","1.54184","CuKα","","0.0685","0.0523","","","0.1268","0.1351","","","","","","1.135","","","","has coordinates","223554","2020-10-21","18:00:00",""
"7234532","19.919","0.0003","15.3887","0.0003","18.5909","0.0003","90","","101.152","0.002","90","","5591.02","0.17","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","catena-Bis-[/m-{2-(pyrazol-1-yl)-6-(1,2,4-triazol-1-yl)pyridine}]- bis [2-(pyrazol-1-yl)-6-(1,2,4-triazol-1-yl)pyridine]diaqua-di-iron(II) tetrakis-tetrafluoroborate hydrate (2/1.34) nitromethane solvate","","- C41 H41.68 B4 F16 Fe2 N25 O5.34 -","- C41 H39 B4 F16 Fe2 N25 O5.34 -","- C164 H156 B16 F64 Fe8 N100 O21.36 -","4","0.5","","Galadzhun, Iurii; Capel Berdiell, Izar; Shahid, Namrah; Halcrow, Malcolm A.","An iron(ii) coordination polymer of a triazolyl tris-heterocycle showing a spin state conversion triggered by loss of lattice solvent","CrystEngComm","2019","21","42","6330","","10.1039/C9CE01496A","","","1.54184","CuKα","","0.0639","0.062","","","0.1594","0.1611","","","","","","1.035","","","","has coordinates,has disorder","223554","2020-10-21","18:00:00",""
"7234533","19.9189","0.0006","15.8603","0.0005","18.7484","0.0004","90","","99.528","0.002","90","","5841.3","0.3","250","2","250","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","catena-Bis-[/m-{2-(pyrazol-1-yl)-6-(1,2,4-triazol-1-yl)pyridine}]- bis [2-(pyrazol-1-yl)-6-(1,2,4-triazol-1-yl)pyridine]diaqua-di-iron(II) tetrakis-tetrafluoroborate hydrate (2/1) nitromethane solvate","","- C41 H41 B4 F16 Fe2 N25 O5 -","- C41 H39 B4 F16 Fe2 N25 O5 -","- C164 H156 B16 F64 Fe8 N100 O20 -","4","0.5","","Galadzhun, Iurii; Capel Berdiell, Izar; Shahid, Namrah; Halcrow, Malcolm A.","An iron(ii) coordination polymer of a triazolyl tris-heterocycle showing a spin state conversion triggered by loss of lattice solvent","CrystEngComm","2019","21","42","6330","","10.1039/C9CE01496A","","","1.54184","CuKα","","0.1236","0.0848","","","0.2212","0.2496","","","","","","1.031","","","","has coordinates,has disorder","223554","2020-10-21","18:00:00",""
"7234534","19.9235","0.0005","15.5984","0.0005","18.6533","0.0004","90","","100.512","0.002","90","","5699.7","0.3","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","catena-Bis-[/m-{2-(pyrazol-1-yl)-6-(1,2,4-triazol-1-yl)pyridine}]- bis [2-(pyrazol-1-yl)-6-(1,2,4-triazol-1-yl)pyridine]diaqua-di-iron(II) tetrakis-tetrafluoroborate hydrate (2/1.34) nitromethane solvate","","- C41 H41.68 B4 F16 Fe2 N25 O5.34 -","- C41 H39 B4 F16 Fe2 N25 O5.34 -","- C164 H156 B16 F64 Fe8 N100 O21.36 -","4","0.5","","Galadzhun, Iurii; Capel Berdiell, Izar; Shahid, Namrah; Halcrow, Malcolm A.","An iron(ii) coordination polymer of a triazolyl tris-heterocycle showing a spin state conversion triggered by loss of lattice solvent","CrystEngComm","2019","21","42","6330","","10.1039/C9CE01496A","","","1.54184","CuKα","","0.085","0.082","","","0.2271","0.2314","","","","","","1.029","","","","has coordinates,has disorder","223554","2020-10-21","18:00:00",""
"7234535","19.901","0.0005","15.9683","0.0004","18.7282","0.0006","90","","99.397","0.003","90","","5871.7","0.3","290","2","290","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","catena-Bis-[/m-{2-(pyrazol-1-yl)-6-(1,2,4-triazol-1-yl)pyridine}]- bis [2-(pyrazol-1-yl)-6-(1,2,4-triazol-1-yl)pyridine]diaqua-di-iron(II) tetrakis-tetrafluoroborate hydrate (2/0.66) nitromethane solvate","","- C41 H40.32 B4 F16 Fe2 N25 O4.66 -","- C41 H39 B4 F16 Fe2 N25 O4.66 -","- C164 H156 B16 F64 Fe8 N100 O18.64 -","4","0.5","","Galadzhun, Iurii; Capel Berdiell, Izar; Shahid, Namrah; Halcrow, Malcolm A.","An iron(ii) coordination polymer of a triazolyl tris-heterocycle showing a spin state conversion triggered by loss of lattice solvent","CrystEngComm","2019","21","42","6330","","10.1039/C9CE01496A","","","1.54184","CuKα","","0.0899","0.0834","","","0.2363","0.2454","","","","","","1.043","","","","has coordinates,has disorder","223554","2020-10-21","18:00:00",""
"7234566","12.8757","0.0007","13.7673","0.0006","13.981","0.0006","112.203","0.004","112.169","0.005","101.951","0.004","1940.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H21 Fe N11 O5 -","- C33 H21 Fe N11 O5 -","- C66 H42 Fe2 N22 O10 -","2","1","","You, Ming-Hua; Li, Meng-Hua; Liu, Yong-Fei; Li, Hao-Hong; Lin, Mei-Jin","Unprecedented five-fold interpenetrated donor-acceptor hybrid heterostructure induced by anion-π interactions","CrystEngComm","2019","","","","","10.1039/C9CE01416K","","","0.71073","MoKα","","0.13","0.0631","","","0.1469","0.1669","","","","","","0.871","","","","has coordinates","219303","2020-10-21","18:00:00",""
"7234567","17.4662","0.0004","19.7085","0.0004","20.633","0.0005","85.483","0.002","68.312","0.002","89.088","0.002","6578.6","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C230 H56 N8 S4 Zn2 -","- C228.5 H56 N8 S4 Zn2 -","- C457 H112 N16 S8 Zn4 -","2","1","","Yu, Wei-Dong; Yan, Qian-Wen; Nie, Yan-Mei; Liang, Shuang; Li, Sang-Hao; Zhang, Yin; Lin, Ming-Yuan; Yan, Jun","Discovery of two types of new porphyrin-C70 co-crystals: influence of intermolecular contact on the inherent resistance","CrystEngComm","2019","","","","","10.1039/C9CE01001G","","","1.54184","CuKα","","0.1081","0.098","","","0.2475","0.2578","","","","","","1.037","","","","has coordinates,has disorder","219304","2020-10-21","18:00:00",""
"7234568","25.4112","0.0005","23.8293","0.0004","22.1557","0.0004","90","","90","","90","","13416","0.4","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C231 H56 Co2 N8 S6 -","- C231 H56 Co2 N8 S6 -","- C924 H224 Co8 N32 S24 -","4","0.5","","Yu, Wei-Dong; Yan, Qian-Wen; Nie, Yan-Mei; Liang, Shuang; Li, Sang-Hao; Zhang, Yin; Lin, Ming-Yuan; Yan, Jun","Discovery of two types of new porphyrin-C70 co-crystals: influence of intermolecular contact on the inherent resistance","CrystEngComm","2019","","","","","10.1039/C9CE01001G","","","0.71073","MoKα","","0.0559","0.0405","","","0.0984","0.1066","","","","","","1.025","","","","has coordinates","219304","2020-10-21","18:00:00",""
"7234569","17.4771","0.0007","19.6561","0.0007","20.6533","0.0007","85.686","0.002","68.147","0.002","89.352","0.002","6565.5","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C115 H30 N4 S2 -","- C115 H30 N4 S2 -","- C460 H120 N16 S8 -","4","2","","Yu, Wei-Dong; Yan, Qian-Wen; Nie, Yan-Mei; Liang, Shuang; Li, Sang-Hao; Zhang, Yin; Lin, Ming-Yuan; Yan, Jun","Discovery of two types of new porphyrin-C70 co-crystals: influence of intermolecular contact on the inherent resistance","CrystEngComm","2019","","","","","10.1039/C9CE01001G","","","0.71073","MoKα","","0.1624","0.1021","","","0.2605","0.2921","","","","","","1.087","","","","has coordinates","219304","2020-10-21","18:00:00",""
"7234570","7.8682","0.0003","10.5629","0.0004","11.607","0.0005","90","","106.552","0.005","90","","924.7","0.07","298.3","0.1","298.3","0.1","","","","","","","","4","P 1 2/m 1","-P 2y","10","","","","- C10 H8 Cu2 O11 -","- C10 H2 Cu2 O10.99 -","- C20 H4 Cu4 O21.98 -","2","0.5","","Zhang, Jun; Ma, Xiaofan; Kong, Weili; Lu, Guodong; Xuan, Xiaopeng","Cooperative proton transportation based on the reversible single crystal‒single crystal transformation in a highly water-stable Cu-MOF with its facile and scalable preparation","CrystEngComm","2019","","","","","10.1039/C9CE01334B","","x-ray","1.54184","CuKα","","0.0562","0.054","","","0.174","0.1771","","","","","","1.161","","","","has coordinates,has disorder","219305","2020-10-21","18:00:00",""
"7234597","8.562","0.002","26.558","0.006","13.38","0.003","90","","94.261","0.003","90","","3034.1","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H36 Cl2 Cu2 N4 O11 -","- C20 H36 Cl2 Cu2 N4 O11 -","- C80 H144 Cl8 Cu8 N16 O44 -","4","1","","Das, Debasis; DASGUPTA, SANCHARI; Chakraborty, Prateeti; Kundu, Priyanka; Kara, Hulya; Aullón, Gabriel; Zangrando, Ennio","Designing of antiferromagnetically coupled mono-, di- and tri- bridged copper(II) based catecholase models by varying “Auxiliary Part” of ligand and anionic co-ligand","CrystEngComm","2019","","","","","10.1039/C9CE01115C","","","0.71073","MoKα","","0.0764","0.0488","","","0.126","0.1373","","","","","","1.05","","","","has coordinates,has disorder","219342","2020-10-21","18:00:00",""
"7234598","16.35","0.002","22.735","0.004","9.2574","0.0013","90","","124.421","0.004","90","","2838.6","0.7","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C21 H31 Cl Cu2 N6 O5 S2 -","- C20.9976 H30.9936 Cl Cu2 N6 O5 S2 -","- C83.9904 H123.974 Cl4 Cu8 N24 O20 S8 -","4","0.5","","Das, Debasis; DASGUPTA, SANCHARI; Chakraborty, Prateeti; Kundu, Priyanka; Kara, Hulya; Aullón, Gabriel; Zangrando, Ennio","Designing of antiferromagnetically coupled mono-, di- and tri- bridged copper(II) based catecholase models by varying “Auxiliary Part” of ligand and anionic co-ligand","CrystEngComm","2019","","","","","10.1039/C9CE01115C","","","0.71073","MoKα","","0.074","0.0502","","","0.1196","0.1333","","","","","","1.054","","","","has coordinates,has disorder","219342","2020-10-21","18:00:00",""
"7234599","8.68","0.003","31.891","0.013","9.216","0.004","90","","97.6","0.005","90","","2528.7","1.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 Cl3 Cu2 N7 O9 -","- C16 H24 Cl3 Cu2 N7 O9 -","- C64 H96 Cl12 Cu8 N28 O36 -","4","1","","Das, Debasis; DASGUPTA, SANCHARI; Chakraborty, Prateeti; Kundu, Priyanka; Kara, Hulya; Aullón, Gabriel; Zangrando, Ennio","Designing of antiferromagnetically coupled mono-, di- and tri- bridged copper(II) based catecholase models by varying “Auxiliary Part” of ligand and anionic co-ligand","CrystEngComm","2019","","","","","10.1039/C9CE01115C","","","0.71073","MoKα","","0.0875","0.0504","","","0.1097","0.1273","","","","","","1.01","","","","has coordinates","219342","2020-10-21","18:00:00",""
"7234600","25.2711","0.001","14.5525","0.0006","16.6199","0.0006","90","","90","","90","","6112.1","0.4","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C23 H33 Cu2 N7 O S3 -","- C23 H33 Cu2 N7 O S3 -","- C184 H264 Cu16 N56 O8 S24 -","8","1","","Das, Debasis; DASGUPTA, SANCHARI; Chakraborty, Prateeti; Kundu, Priyanka; Kara, Hulya; Aullón, Gabriel; Zangrando, Ennio","Designing of antiferromagnetically coupled mono-, di- and tri- bridged copper(II) based catecholase models by varying “Auxiliary Part” of ligand and anionic co-ligand","CrystEngComm","2019","","","","","10.1039/C9CE01115C","","","0.71073","MoKα","","0.0776","0.0557","","","0.1503","0.1695","","","","","","1.027","","","","has coordinates","219342","2020-10-21","18:00:00",""
"7234601","5.732","0.0003","11.2839","0.0006","12.309","0.0007","83.794","0.002","82.313","0.002","77.034","0.002","766.35","0.07","290","2","290","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H11 Cl2 I N -","- C16 H11 Cl2 I N -","- C32 H22 Cl4 I2 N2 -","2","1","","Bosch, Eric; Kruse, Samantha J.; Reinheimer, Eric W.; Rath, Nigam P.; Groeneman, Ryan H.","Regioselective [2 + 2] cycloaddition reaction within a pair of polymorphic co-crystals based upon halogen bonding interactions","CrystEngComm","2019","21","43","6671","","10.1039/C9CE01379B","","","0.71073","MoKα","","0.0638","0.037","","","0.066","0.085","","","","","","1.053","","","","has coordinates,has disorder","223540","2020-10-21","18:00:00",""
"7234602","5.6832","0.0002","11.0865","0.0004","12.2076","0.0005","82.9822","0.0014","82.3948","0.0012","77.3857","0.0012","740.53","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H11 Cl2 I N -","- C16 H11 Cl2 I N -","- C32 H22 Cl4 I2 N2 -","2","1","","Bosch, Eric; Kruse, Samantha J.; Reinheimer, Eric W.; Rath, Nigam P.; Groeneman, Ryan H.","Regioselective [2 + 2] cycloaddition reaction within a pair of polymorphic co-crystals based upon halogen bonding interactions","CrystEngComm","2019","21","43","6671","","10.1039/C9CE01379B","","","0.71073","MoKα","","0.0162","0.0157","","","0.0387","0.039","","","","","","0.985","","","","has coordinates,has disorder","223540","2020-10-21","18:00:00",""
"7234603","5.7219","0.0002","11.2301","0.0004","12.2908","0.0004","83.6745","0.0016","82.3392","0.0014","77.163","0.0014","760.51","0.05","250","2","250","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H11 Cl2 I N -","- C16 H11 Cl2 I N -","- C32 H22 Cl4 I2 N2 -","2","1","","Bosch, Eric; Kruse, Samantha J.; Reinheimer, Eric W.; Rath, Nigam P.; Groeneman, Ryan H.","Regioselective [2 + 2] cycloaddition reaction within a pair of polymorphic co-crystals based upon halogen bonding interactions","CrystEngComm","2019","21","43","6671","","10.1039/C9CE01379B","","","0.71073","MoKα","","0.0539","0.0361","","","0.0646","0.0796","","","","","","1.061","","","","has coordinates,has disorder","223540","2020-10-21","18:00:00",""
"7234604","10.9466","0.0005","16.4851","0.0007","8.6575","0.0003","90","","96.0062","0.0019","90","","1553.72","0.11","290","2","290","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 Cl2 I N -","- C16.072 H11.072 Cl1.9498 I1.0251 N -","- C64.288 H44.288 Cl7.7992 I4.1004 N4 -","4","1","","Bosch, Eric; Kruse, Samantha J.; Reinheimer, Eric W.; Rath, Nigam P.; Groeneman, Ryan H.","Regioselective [2 + 2] cycloaddition reaction within a pair of polymorphic co-crystals based upon halogen bonding interactions","CrystEngComm","2019","21","43","6671","","10.1039/C9CE01379B","","","0.71073","MoKα","","0.1405","0.0662","","","0.0704","0.0794","","","","","","1.082","","","","has coordinates,has disorder","223540","2020-10-21","18:00:00",""
"7234605","10.9007","0.0003","16.4319","0.0004","8.6457","0.0002","90","","96.2379","0.001","90","","1539.44","0.07","250","2","250","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 Cl2 I N -","- C16.092 H11.092 Cl1.954 I1.023 N -","- C64.368 H44.368 Cl7.816 I4.092 N4 -","4","1","","Bosch, Eric; Kruse, Samantha J.; Reinheimer, Eric W.; Rath, Nigam P.; Groeneman, Ryan H.","Regioselective [2 + 2] cycloaddition reaction within a pair of polymorphic co-crystals based upon halogen bonding interactions","CrystEngComm","2019","21","43","6671","","10.1039/C9CE01379B","","","0.71073","MoKα","","0.0554","0.0328","","","0.0638","0.0762","","","","","","1.141","","","","has coordinates,has disorder","223540","2020-10-21","18:00:00",""
"7234606","9.285","0.005","10.118","0.005","15.913","0.008","80.568","0.006","81.516","0.006","65.604","0.006","1337.8","1.2","100","2","100.15","","","","","","","","","4","P -1","-P 1","2","","3-phenylpyrrolidine-2,5-dione","","- C10 H9 N O2 -","- C10 H9 N O2 -","- C60 H54 N6 O12 -","6","3","","Timofeeva, Tatiana; Sena, Victoria; Averkiev, Boris; Shabarinath, Bejagam; Usman, Muhammad; Krivoshein, Arcadius V.","Unusual polymorphs of rac-3-phenylpyrrolidine-2,5-dione with Z' = 1, 2, and 3","CrystEngComm","2019","","","","","10.1039/C9CE01100E","","","0.71073","MoKα","","0.0762","0.047","","","0.1132","0.1299","","","","","","1.03","","","","has coordinates","219344","2020-10-21","18:00:00",""
"7234607","15.51","0.14","5.64","0.05","20.49","0.16","90","","108.1","0.1","90","","1704","3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","rac-3-phenylpyrrolidin-2,5-dione","","- C10 H9 N O2 -","- C10 H9 N O2 -","- C80 H72 N8 O16 -","8","2","","Timofeeva, Tatiana; Sena, Victoria; Averkiev, Boris; Shabarinath, Bejagam; Usman, Muhammad; Krivoshein, Arcadius V.","Unusual polymorphs of rac-3-phenylpyrrolidine-2,5-dione with Z' = 1, 2, and 3","CrystEngComm","2019","","","","","10.1039/C9CE01100E","","","0.71073","MoKα","","0.1352","0.0691","","","0.1326","0.1687","","","","","","0.866","","","","has coordinates","219344","2020-10-21","18:00:00",""
"7234608","15.57","0.04","5.719","0.015","20.69","0.06","90","","107.77","0.02","90","","1754","8","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","rac-3-phenylpyrrolidin-2,5-dione","","- C10 H9 N O2 -","- C10 H9 N O2 -","- C80 H72 N8 O16 -","8","2","","Timofeeva, Tatiana; Sena, Victoria; Averkiev, Boris; Shabarinath, Bejagam; Usman, Muhammad; Krivoshein, Arcadius V.","Unusual polymorphs of rac-3-phenylpyrrolidine-2,5-dione with Z' = 1, 2, and 3","CrystEngComm","2019","","","","","10.1039/C9CE01100E","","","0.71073","MoKα","","0.0581","0.0368","","","0.0846","0.095","","","","","","0.988","","","","has coordinates","219344","2020-10-21","18:00:00",""
"7234609","15.564","0.005","5.7158","0.0019","20.595","0.008","90","","107.363","0.006","90","","1748.7","1.1","215","2","215","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-phenylpyrrolidine-2,5-dione","","- C10 H9 N O2 -","- C10 H9 N O2 -","- C80 H72 N8 O16 -","8","2","","Timofeeva, Tatiana; Sena, Victoria; Averkiev, Boris; Shabarinath, Bejagam; Usman, Muhammad; Krivoshein, Arcadius V.","Unusual polymorphs of rac-3-phenylpyrrolidine-2,5-dione with Z' = 1, 2, and 3","CrystEngComm","2019","","","","","10.1039/C9CE01100E","","","0.71073","MoKα","","0.0757","0.0429","","","0.0867","0.0993","","","","","","1.017","","","","has coordinates","219344","2020-10-21","18:00:00",""
"7234610","15.575","0.006","5.711","0.002","20.567","0.008","90","","107.533","0.005","90","","1744.4","1.1","175","","175","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","rac-3-phenylpyrrolidin-2,5-dione","","- C10 H9 N O2 -","- C10 H9 N O2 -","- C80 H72 N8 O16 -","8","2","","Timofeeva, Tatiana; Sena, Victoria; Averkiev, Boris; Shabarinath, Bejagam; Usman, Muhammad; Krivoshein, Arcadius V.","Unusual polymorphs of rac-3-phenylpyrrolidine-2,5-dione with Z' = 1, 2, and 3","CrystEngComm","2019","","","","","10.1039/C9CE01100E","","","0.71073","MoKα","","0.0497","0.0331","","","0.0773","0.085","","","","","","1.025","","","","has coordinates","219344","2020-10-21","18:00:00",""
"7234647","6.978","0.0006","14.762","0.0013","12.3395","0.001","90","","100.14","0.003","90","","1251.23","0.18","298","","298","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H30 Cl6 Cu N4 O -","- C18 H30 Cl6 Cu N4 O -","- C36 H60 Cl12 Cu2 N8 O2 -","2","1","","Guo, Fang; Li, Hai Tao; Famulari, Antonino; Xin, Lianxin; Zhou, Hongjian; Zhang, Peng","Stoichiometry mechanosynthesis and interconversion of metal salts containing [CuCl3(H2O)]- and [Cu2Cl8]4-","CrystEngComm","2019","","","","","10.1039/C9CE00911F","","","0.71073","MoKα","","0.0322","0.0303","","","0.0734","0.0749","","","","","","1.066","","","","has coordinates","219376","2020-10-21","18:00:00",""
"7234648","15.872","0.003","7.3428","0.0012","9.2728","0.0015","90","","90","","90","","1080.7","0.3","298","","298","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C18 H30 Cl4 N4 O -","- C18 H30 Cl4 N4 O -","- C36 H60 Cl8 N8 O2 -","2","0.5","","Guo, Fang; Li, Hai Tao; Famulari, Antonino; Xin, Lianxin; Zhou, Hongjian; Zhang, Peng","Stoichiometry mechanosynthesis and interconversion of metal salts containing [CuCl3(H2O)]- and [Cu2Cl8]4-","CrystEngComm","2019","","","","","10.1039/C9CE00911F","","","0.71073","MoKα","","0.0261","0.0257","","","0.0686","0.0688","","","","","","1.093","","","","has coordinates","219376","2020-10-21","18:00:00",""
"7234649","9.6563","0.0005","11.4146","0.0007","24.6751","0.0014","90","","90","","90","","2719.8","0.3","173.01","","173.01","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H30 Cl8 Cu2 N4 O -","- C18 H30 Cl8 Cu2 N4 O -","- C72 H120 Cl32 Cu8 N16 O4 -","4","1","","Guo, Fang; Li, Hai Tao; Famulari, Antonino; Xin, Lianxin; Zhou, Hongjian; Zhang, Peng","Stoichiometry mechanosynthesis and interconversion of metal salts containing [CuCl3(H2O)]- and [Cu2Cl8]4-","CrystEngComm","2019","","","","","10.1039/C9CE00911F","","","0.71073","MoKα","","0.0213","0.0211","","","0.0543","0.0544","","","","","","1.243","","","","has coordinates","219376","2020-10-21","18:00:00",""
"7234691","32.4701","0.0018","16.2657","0.0009","10.7306","0.0006","90","","90","","90","","5667.4","0.5","100","2","100.15","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C64 H64 N4 O14 -","- C64 H64 N4 O14 -","- C256 H256 N16 O56 -","4","1","","Fairbairn, Robyn E.; Teat, Simon J.; Ling, Irene; Dalgarno, Scott J.","Investigations into the assembly behaviour of a ‘rigidified’ p-carboxylatocalix[4]arene","CrystEngComm","2019","21","43","6659","","10.1039/C9CE01326A","","","0.7749","Synchrotron","","0.0515","0.0404","","","0.0927","0.0988","","","","","","1.038","","","","has coordinates","223533","2020-10-21","18:00:00",""
"7234692","12.4398","0.0005","27.9839","0.0011","15.9403","0.0006","90","","91.647","0.002","90","","5546.8","0.4","100","2","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C57 H65 Mn N3 O20 -","- C57 H55 Mn N3 O20 -","- C228 H220 Mn4 N12 O80 -","4","0.5","","Fairbairn, Robyn E.; Teat, Simon J.; Ling, Irene; Dalgarno, Scott J.","Investigations into the assembly behaviour of a ‘rigidified’ p-carboxylatocalix[4]arene","CrystEngComm","2019","21","43","6659","","10.1039/C9CE01326A","","","0.7749","Synchrotron","","0.1058","0.0852","","","0.2477","0.2733","","","","","","1.041","","","","has coordinates,has disorder","223533","2020-10-21","18:00:00",""
"7234693","14.8977","0.0004","29.2369","0.0009","12.7603","0.0005","90","","90","","90","","5557.9","0.3","100","2","100.15","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C55 H49 Cu N3 O14 -","- C56.333 H42 Cu N2 O14 -","- C225.332 H168 Cu4 N8 O56 -","4","0.5","","Fairbairn, Robyn E.; Teat, Simon J.; Ling, Irene; Dalgarno, Scott J.","Investigations into the assembly behaviour of a ‘rigidified’ p-carboxylatocalix[4]arene","CrystEngComm","2019","21","43","6659","","10.1039/C9CE01326A","","","0.7749","Synchrotron","","0.0707","0.0654","","","0.1786","0.1843","","","","","","1.062","","","","has coordinates,has disorder","223533","2020-10-21","18:00:00",""
"7234694","17.772","0.0018","11.6573","0.0012","29.512","0.003","90","","101.183","0.003","90","","5998","1.1","100","2","100.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C60 H68 N8 O18 -","- C60 H60 N8 O18 -","- C240 H240 N32 O72 -","4","1","","Fairbairn, Robyn E.; Teat, Simon J.; Ling, Irene; Dalgarno, Scott J.","Investigations into the assembly behaviour of a ‘rigidified’ p-carboxylatocalix[4]arene","CrystEngComm","2019","21","43","6659","","10.1039/C9CE01326A","","","0.71073","MoKα","","0.1468","0.0883","","","0.2359","0.2817","","","","","","1.028","","","","has coordinates,has disorder","223533","2020-10-21","18:00:00",""
"7234731","8.14","0.0006","13.4654","0.0005","16.3082","0.0008","90","","90","","90","","1787.51","0.17","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 I N2 O4 -","- C16 H17 I N2 O4 -","- C64 H68 I4 N8 O16 -","4","1","","Popa, Marcel Mirel; Man, Isabela; Draghici, Constantin; Sova, Sergiu; Caira, M. R.; Dumitrascu, Florea; Dumitrescu, Denisa","Halogen bonding in 5-iodo-1-arylpyrazoles investigated in the solid state and predicted by solution 13C-NMR spectroscopy","CrystEngComm","2019","","","","","10.1039/C9CE01263J","","x-ray","0.71073","MoKα","","0.0407","0.0364","","","0.0757","0.0781","","","","","","1.048","","","","has coordinates","219432","2020-10-21","18:00:00",""
"7234732","8.3915","0.0007","10.0389","0.0008","10.2106","0.0009","111.275","0.008","96.662","0.007","95.904","0.007","786.3","0.13","200","0.1","200","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C14 H12 Cl I N2 O4 -","- C14 H12 Cl I N2 O4 -","- C28 H24 Cl2 I2 N4 O8 -","2","1","","Popa, Marcel Mirel; Man, Isabela; Draghici, Constantin; Sova, Sergiu; Caira, M. R.; Dumitrascu, Florea; Dumitrescu, Denisa","Halogen bonding in 5-iodo-1-arylpyrazoles investigated in the solid state and predicted by solution 13C-NMR spectroscopy","CrystEngComm","2019","","","","","10.1039/C9CE01263J","","x-ray","0.71073","MoKα","","0.0574","0.049","","","0.1281","0.1351","","","","","","1.053","","","","has coordinates","219432","2020-10-21","18:00:00",""
"7234733","23.0873","0.001","9.6374","0.0003","7.245","0.0003","90","","106.961","0.004","90","","1541.91","0.11","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C14 H13 I N2 O5 -","- C14 H13 I N2 O5 -","- C56 H52 I4 N8 O20 -","4","1","","Popa, Marcel Mirel; Man, Isabela; Draghici, Constantin; Sova, Sergiu; Caira, M. R.; Dumitrascu, Florea; Dumitrescu, Denisa","Halogen bonding in 5-iodo-1-arylpyrazoles investigated in the solid state and predicted by solution 13C-NMR spectroscopy","CrystEngComm","2019","","","","","10.1039/C9CE01263J","","x-ray","0.71073","MoKα","","0.028","0.0257","","","0.0452","0.046","","","","","","1.023","","","","has coordinates","219432","2020-10-21","18:00:00",""
"7234734","8.288","0.002","11.555","0.003","11.805","0.003","90","","91.113","0.006","90","","1130.3","0.5","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","CL-20-HTFAZ","","","- C12 H7 N19 O15 -","- C12 H7 N19 O15 -","- C24 H14 N38 O30 -","2","1","","Liu, Ning; Duan, Binghui; Lu, Xianming; Zhang, Qian; Xu, Minghui; Mo, Hongchang; Wang, Bozhou","Preparation of CL-20/TFAZ cocrystals under aqueous condition: balancing high performance and low sensitivity","CrystEngComm","2019","","","","","10.1039/C9CE01221D","","","0.71073","MoKα","","0.1199","0.0566","","","0.0787","0.0993","","","","","","0.985","","","","has coordinates","219433","2020-10-21","18:00:00",""
"7234738","18.1605","0.0007","7.4488","0.0003","26.122","0.001","90","","97.314","0.001","90","","3504.9","0.2","170","","170","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C72 H126 O17 -","- C72 H126 O17 -","- C144 H252 O34 -","2","1","","Chen, Jinyao; Zhu, Wenming; Ji, Weijie; Zhu, Bin; Guo, Chunyang; Qi, Ming-Hui; Ren, Guo-Bin","Crystal Structure and Physical Stability of Ginsenoside Compound-K Solvates","CrystEngComm","2019","","","","","10.1039/C9CE00965E","","","1.54178","CuKα","","0.0465","0.0444","","","0.1184","0.1204","","","","","","1.034","","","","has coordinates","219458","2020-10-21","18:00:00",""
"7234739","11.7747","0.0001","12.4564","0.0001","14.179","0.0001","90","","98","","90","","2059.4","0.03","170","","170","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C40 H76 O11 -","- C40 H76 O11 -","- C80 H152 O22 -","2","1","","Chen, Jinyao; Zhu, Wenming; Ji, Weijie; Zhu, Bin; Guo, Chunyang; Qi, Ming-Hui; Ren, Guo-Bin","Crystal Structure and Physical Stability of Ginsenoside Compound-K Solvates","CrystEngComm","2019","","","","","10.1039/C9CE00965E","","","1.54178","CuKα","","0.0378","0.0377","","","0.0996","0.0997","","","","","","1.042","","","","has coordinates","219458","2020-10-21","18:00:00",""
"7234740","11.5408","0.0018","12.3313","0.0017","14.1447","0.0019","90","","95.908","0.007","90","","2002.3","0.5","170.21","","170.21","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C39 H74 O11 -","- C39 H74 O11 -","- C78 H148 O22 -","2","1","","Chen, Jinyao; Zhu, Wenming; Ji, Weijie; Zhu, Bin; Guo, Chunyang; Qi, Ming-Hui; Ren, Guo-Bin","Crystal Structure and Physical Stability of Ginsenoside Compound-K Solvates","CrystEngComm","2019","","","","","10.1039/C9CE00965E","","","1.54178","CuKα","","0.0517","0.043","","","0.0905","0.0952","","","","","","1.072","","","","has coordinates,has disorder","219458","2020-10-21","18:00:00",""
"7234741","11.4907","0.0006","12.3599","0.0006","14.0787","0.0008","90","","96.646","0.003","90","","1986.08","0.18","170","","170","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C38 H71 O11 -","- C38 H72 O11 -","- C76 H144 O22 -","2","1","","Chen, Jinyao; Zhu, Wenming; Ji, Weijie; Zhu, Bin; Guo, Chunyang; Qi, Ming-Hui; Ren, Guo-Bin","Crystal Structure and Physical Stability of Ginsenoside Compound-K Solvates","CrystEngComm","2019","","","","","10.1039/C9CE00965E","","","1.54178","CuKα","","0.0385","0.0351","","","0.0783","0.0808","","","","","","1.047","","","","has coordinates,has disorder","219458","2020-10-21","18:00:00",""
"7234742","15.856","0.003","7.5818","0.0015","16.567","0.003","90","","117.95","0.03","90","","1759.3","0.8","170","","170","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C36 H64 O9 -","- C36 H64 O9 -","- C72 H128 O18 -","2","1","","Chen, Jinyao; Zhu, Wenming; Ji, Weijie; Zhu, Bin; Guo, Chunyang; Qi, Ming-Hui; Ren, Guo-Bin","Crystal Structure and Physical Stability of Ginsenoside Compound-K Solvates","CrystEngComm","2019","","","","","10.1039/C9CE00965E","","","1.54178","CuKα","","0.0384","0.0338","","","0.0841","0.0877","","","","","","1.016","","","","has coordinates","219458","2020-10-21","18:00:00",""
"7234743","15.9962","0.0001","11.9543","0.0001","20.14","0.0002","90","","101.98","","90","","3767.36","0.05","170.15","","170.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C72 H132 O20 -","- C72 H124 O19.5 -","- C144 H248 O39 -","2","1","","Chen, Jinyao; Zhu, Wenming; Ji, Weijie; Zhu, Bin; Guo, Chunyang; Qi, Ming-Hui; Ren, Guo-Bin","Crystal Structure and Physical Stability of Ginsenoside Compound-K Solvates","CrystEngComm","2019","","","","","10.1039/C9CE00965E","","","1.54178","CuKα","","0.047","0.045","","","0.1249","0.1275","","","","","","1.029","","","","has coordinates,has disorder","219458","2020-10-21","18:00:00",""
"7234744","16.2329","0.0019","11.8682","0.0012","20.21","0.003","90","","103.607","0.007","90","","3784.3","0.8","170","2","170","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C38 H68 O9 -","- C38 H68 O9 -","- C152 H272 O36 -","4","2","","Chen, Jinyao; Zhu, Wenming; Ji, Weijie; Zhu, Bin; Guo, Chunyang; Qi, Ming-Hui; Ren, Guo-Bin","Crystal Structure and Physical Stability of Ginsenoside Compound-K Solvates","CrystEngComm","2019","","","","","10.1039/C9CE00965E","","","1.54178","CuKα","","0.0574","0.0487","","","0.1211","0.1293","","","","","","1.051","","","","has coordinates,has disorder","219458","2020-10-21","18:00:00",""
"7234752","7.0708","0.0006","9.0071","0.0007","15.9404","0.0013","98.578","0.004","99.7","0.003","106.58","0.004","937.95","0.14","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","Nitrofurantoin ferulic acid cocrystal","","- C18 H16 N4 O9 -","- C18 H16 N4 O9 -","- C36 H32 N8 O18 -","2","1","","Barua, Harsh; Gunnam, Anilkumar; Yadav, Balvant; Nangia, Ashwini; Shastri, Nalini R.","An ab initio molecular dynamics method for cocrystal prediction: A validation of the approach","CrystEngComm","2019","","","","","10.1039/C9CE01436E","","","0.71073","MoKα","","0.0428","0.0358","","","0.0935","0.0987","","","","","","1.105","","","","has coordinates","219468","2020-10-21","18:00:00",""
"7234753","7.7093","0.0005","14.9332","0.0009","23.5619","0.0014","90","","90","","90","","2712.6","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H28 N O3 P -","- C35 H28 N O3 P -","- C140 H112 N4 O12 P4 -","4","1","","Terraneo, Giancarlo; Cardellicchio, Cosimo; Pigliacelli, Claudia; Capozzi, Maria Annunziata M.","Stacked Aryl Groups in P-Resolved Cyclic Phosphonamides as a new conformational constrain","CrystEngComm","2019","","","","","10.1039/C9CE01382B","","","0.71073","MoKα","","0.0738","0.0488","","","0.092","0.1011","","","","","","1.025","","","","has coordinates","219469","2020-10-21","18:00:00",""
"7234754","7.1528","0.0007","15.2774","0.0016","43.271","0.004","90","","90","","90","","4728.5","0.8","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H25 Cl N O3 P -","- C27 H25 Cl N O3 P -","- C216 H200 Cl8 N8 O24 P8 -","8","2","","Terraneo, Giancarlo; Cardellicchio, Cosimo; Pigliacelli, Claudia; Capozzi, Maria Annunziata M.","Stacked Aryl Groups in P-Resolved Cyclic Phosphonamides as a new conformational constrain","CrystEngComm","2019","","","","","10.1039/C9CE01382B","","","0.71073","MoKα","","0.0687","0.0511","","","0.1145","0.1246","","","","","","1.037","","","","has coordinates","219469","2020-10-21","18:00:00",""
"7234755","6.8897","0.0003","14.6971","0.0006","12.2755","0.0005","90","","103.491","0.003","90","","1208.7","0.09","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H25 Cl N O3 P -","- C27 H25 Cl N O3 P -","- C54 H50 Cl2 N2 O6 P2 -","2","1","","Terraneo, Giancarlo; Cardellicchio, Cosimo; Pigliacelli, Claudia; Capozzi, Maria Annunziata M.","Stacked Aryl Groups in P-Resolved Cyclic Phosphonamides as a new conformational constrain","CrystEngComm","2019","","","","","10.1039/C9CE01382B","","","0.71073","MoKα","","0.0777","0.0479","","","0.1086","0.1254","","","","","","1.011","","","","has coordinates","219469","2020-10-21","18:00:00",""
"7234756","8.1428","0.001","11.1701","0.0012","25.718","0.003","90","","90","","90","","2339.2","0.5","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H25 Cl N O3 P -","- C27 H25 Cl N O3 P -","- C108 H100 Cl4 N4 O12 P4 -","4","1","","Terraneo, Giancarlo; Cardellicchio, Cosimo; Pigliacelli, Claudia; Capozzi, Maria Annunziata M.","Stacked Aryl Groups in P-Resolved Cyclic Phosphonamides as a new conformational constrain","CrystEngComm","2019","","","","","10.1039/C9CE01382B","","","0.71073","MoKα","","0.0413","0.0368","","","0.0935","0.0964","","","","","","1.058","","","","has coordinates","219469","2020-10-21","18:00:00",""
"7234757","13.9925","0.0002","13.9925","0.0002","13.9925","0.0002","90","","90","","90","","2739.59","0.07","293","2","293","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C6 H14 B3 F12 N2 Na -","- C6 H14 B3 F12 N2 Na -","- C48 H112 B24 F96 N16 Na8 -","8","0.333333","","Ye, Le; Gong, Zhi-Xin; Shi, Chao; Ma, Jia-Jun; Liang, Hao; Qi, Fangwei; E, Dian-yu; Wang, Chang-Feng; Zhang, Yi; Ye, Heng-Yun","(H2dabco)[Na(BF4)3]: an ABX3-type inorganic-organic hybrid perovskite compound with dielectric switching above room-temperature","CrystEngComm","2019","","","","","10.1039/C9CE01454C","","","0.71073","MoKα","","0.0921","0.0839","","","0.2061","0.2102","","","","","","1.242","","","","has coordinates","287753","2023-11-23","09:34:45",""
"7234758","7.1593","0.0013","7.1593","0.0013","7.1593","0.0013","90","","90","","90","","366.95","0.12","408","2","408","2","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C12 H28 B6 F24 N4 Na2 -","- C9.1 B3 F12 Na -","- C9.1 B3 F12 Na -","1","0.0208333","","Ye, Le; Gong, Zhi-Xin; Shi, Chao; Ma, Jia-Jun; Liang, Hao; Qi, Fangwei; E, Dian-yu; Wang, Chang-Feng; Zhang, Yi; Ye, Heng-Yun","(H2dabco)[Na(BF4)3]: an ABX3-type inorganic-organic hybrid perovskite compound with dielectric switching above room-temperature","CrystEngComm","2019","","","","","10.1039/C9CE01454C","","","0.71073","MoKα","","0.2858","0.2329","","","0.6364","0.6589","","","","","","2.567","","","","has coordinates","219470","2020-10-21","18:00:00",""
"7234764","28.1534","0.0016","13.4987","0.0008","31.1648","0.0019","90","","90","","90","","11843.7","1.2","296","2","296.15","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C30 H83 N6 O75 P2 Re2 W17 -","- C30 N6 O75 P2 Re2 W17 -","- C120 N24 O300 P8 Re8 W68 -","4","0.5","","Niu, Jingyang; Lu, Jingkun; Feng, Junwei; Ma, Xinyi; Wang, Ping; Xu, Baijie; He, Peipei; Jia, Jiage; Ma, Pengtao; Wang, Jingping","A new phoshotungstate-supported rhenium carbonyl derivative: synthesis, characterization and catalytic selective oxidation of thiophenes","CrystEngComm","2019","","","","","10.1039/C9CE01124B","","","0.71073","MoKα","","0.1","0.0606","","","0.1273","0.1463","","","","","","1.086","","","","has coordinates","219503","2020-10-21","18:00:00",""
"7234765","16.8716","0.0006","11.2042","0.0004","18.2255","0.0008","90","","111.644","0.001","90","","3202.3","0.2","273.15","","273.15","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C68 H62 N2 O25 Tb2 -","- C68 H62 N2 O25 Tb2 -","- C136 H124 N4 O50 Tb4 -","2","0.5","","Zhang, Jie; Gao, Lingling; Wang, Yang; Zhai, Lijun; Niu, Xiao-Yan; Hu, Tuoping","A Bifunctional 3D Tb-Based Metal−Organic Framework for Sensing and Removal of Antibiotics in Aqueous Medium","CrystEngComm","2019","","","","","10.1039/C9CE01303B","","","0.71076","MoKα","","0.0535","0.0297","","","0.055","0.0605","","","","","","1.011","","","","has coordinates,has disorder","219520","2020-10-21","18:00:00",""
"7234791","24.9223","0.0004","9.0196","0.0002","8.8869","0.0001","90","","93.248","0.002","90","","1994.47","0.06","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 Br4 O6 -","- C14 H14 Br4 O6 -","- C56 H56 Br16 O24 -","4","0.5","","Chongboriboon, Nucharee; Samakun, Kodchakorn; Inprasit, Thitirat; Kielar, Filip; Dungkaew, Winya; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Ninković, Dragan B.; Zarić, Snežana D.; Chainok, Kittipong","Two-dimensional halogen-bonded organic frameworks based on the tetrabromobenzene-1,4-dicarboxylic acid building molecule","CrystEngComm","2020","22","1","24","34","10.1039/C9CE01140D","","x-ray","1.54184","CuKα","","0.0182","0.0166","","","0.0428","0.0437","","","","","","1.095","","","","has coordinates,has disorder","257436","2020-10-21","18:00:00",""
"7234792","25.174","0.005","9.1572","0.0018","8.9838","0.0017","90","","93.25","0.007","90","","2067.6","0.7","296","","296","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 Br4 O6 -","- C14 H14 Br4 O6 -","- C56 H56 Br16 O24 -","4","0.5","","Chongboriboon, Nucharee; Samakun, Kodchakorn; Inprasit, Thitirat; Kielar, Filip; Dungkaew, Winya; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Ninković, Dragan B.; Zarić, Snežana D.; Chainok, Kittipong","Two-dimensional halogen-bonded organic frameworks based on the tetrabromobenzene-1,4-dicarboxylic acid building molecule","CrystEngComm","2020","22","1","24","34","10.1039/C9CE01140D","","x-ray","0.71073","MoKα","","0.0488","0.0306","","","0.0598","0.0655","","","","","","1.02","","","","has coordinates,has disorder","257436","2020-10-21","18:00:00",""
"7234793","7.9617","0.0001","9.9312","0.0001","23.5837","0.0003","90","","90","","90","","1864.75","0.04","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H14 Br4 O8 -","- C12 H14 Br4 O8 -","- C48 H56 Br16 O32 -","4","0.5","","Chongboriboon, Nucharee; Samakun, Kodchakorn; Inprasit, Thitirat; Kielar, Filip; Dungkaew, Winya; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Ninković, Dragan B.; Zarić, Snežana D.; Chainok, Kittipong","Two-dimensional halogen-bonded organic frameworks based on the tetrabromobenzene-1,4-dicarboxylic acid building molecule","CrystEngComm","2020","22","1","24","34","10.1039/C9CE01140D","","","1.54184","CuKα","","0.0234","0.0188","","","0.0489","0.052","","","","","","1.059","","","","has coordinates","257436","2020-10-21","18:00:00",""
"7234794","9.24933","0.00017","25.7601","0.0006","8.66218","0.00018","90","","90","","90","","2063.88","0.07","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H14 Br4 O6 S2 -","- C12 H14 Br4 O6 S2 -","- C48 H56 Br16 O24 S8 -","4","0.5","","Chongboriboon, Nucharee; Samakun, Kodchakorn; Inprasit, Thitirat; Kielar, Filip; Dungkaew, Winya; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Ninković, Dragan B.; Zarić, Snežana D.; Chainok, Kittipong","Two-dimensional halogen-bonded organic frameworks based on the tetrabromobenzene-1,4-dicarboxylic acid building molecule","CrystEngComm","2020","22","1","24","34","10.1039/C9CE01140D","","","1.54184","CuKα","","0.0467","0.0453","","","0.1087","0.1093","","","","","","1.121","","","","has coordinates","257436","2020-10-21","18:00:00",""
"7234795","9.1624","0.0005","23.482","0.0012","8.993","0.0004","90","","90","","90","","1934.86","0.17","296","","296","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C12 H14 Br4 O6 -","- C12 H14 Br4 O6 -","- C48 H56 Br16 O24 -","4","0.5","","Chongboriboon, Nucharee; Samakun, Kodchakorn; Inprasit, Thitirat; Kielar, Filip; Dungkaew, Winya; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Ninković, Dragan B.; Zarić, Snežana D.; Chainok, Kittipong","Two-dimensional halogen-bonded organic frameworks based on the tetrabromobenzene-1,4-dicarboxylic acid building molecule","CrystEngComm","2020","22","1","24","34","10.1039/C9CE01140D","","x-ray","0.71073","MoKα","","0.0344","0.0275","","","0.0688","0.073","","","","","","1.037","","","","has coordinates,has disorder","257436","2020-10-21","18:00:00",""
"7234796","8.134","0.002","9.964","0.003","23.849","0.006","90","","90","","90","","1932.9","0.9","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H14 Br4 O8 -","- C12 H14 Br4 O8 -","- C48 H56 Br16 O32 -","4","0.5","","Chongboriboon, Nucharee; Samakun, Kodchakorn; Inprasit, Thitirat; Kielar, Filip; Dungkaew, Winya; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Ninković, Dragan B.; Zarić, Snežana D.; Chainok, Kittipong","Two-dimensional halogen-bonded organic frameworks based on the tetrabromobenzene-1,4-dicarboxylic acid building molecule","CrystEngComm","2020","22","1","24","34","10.1039/C9CE01140D","","x-ray","0.71073","MoKα","","0.0549","0.0417","","","0.1026","0.1122","","","","","","1.037","","","","has coordinates","257436","2020-10-21","18:00:00",""
"7234797","9.27849","0.00019","23.5754","0.0005","8.6023","0.0002","90","","90","","90","","1881.7","0.07","100.02","0.1","100.02","0.1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C12 H14 Br4 O6 -","- C12 H14 Br4 O6 -","- C48 H56 Br16 O24 -","4","0.5","","Chongboriboon, Nucharee; Samakun, Kodchakorn; Inprasit, Thitirat; Kielar, Filip; Dungkaew, Winya; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Ninković, Dragan B.; Zarić, Snežana D.; Chainok, Kittipong","Two-dimensional halogen-bonded organic frameworks based on the tetrabromobenzene-1,4-dicarboxylic acid building molecule","CrystEngComm","2020","22","1","24","34","10.1039/C9CE01140D","","","1.54184","CuKα","","0.0316","0.0294","","","0.079","0.0809","","","","","","1.057","","","","has coordinates","257436","2020-10-21","18:00:00",""
"7234798","9.2133","0.0002","25.7139","0.0006","8.9323","0.0002","90","","90","","90","","2116.15","0.08","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H14 Br4 O6 S2 -","- C12 H14 Br4 O6 S2 -","- C48 H56 Br16 O24 S8 -","4","0.5","","Chongboriboon, Nucharee; Samakun, Kodchakorn; Inprasit, Thitirat; Kielar, Filip; Dungkaew, Winya; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Ninković, Dragan B.; Zarić, Snežana D.; Chainok, Kittipong","Two-dimensional halogen-bonded organic frameworks based on the tetrabromobenzene-1,4-dicarboxylic acid building molecule","CrystEngComm","2020","22","1","24","34","10.1039/C9CE01140D","","x-ray","0.71073","MoKα","","0.065","0.0446","","","0.1124","0.1229","","","","","","1.098","","","","has coordinates","257436","2020-10-21","18:00:00",""
"7234799","8.2155","0.0005","9.0903","0.0006","28.4307","0.0015","90","","89.934","0.006","90","","2123.2","0.2","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 Cl4 N4 Zn2 -","- C15 H20 Cl4 N4 Zn2 -","- C60 H80 Cl16 N16 Zn8 -","4","1","","Zhu, Li-Na; Deng, Zhaopeng; Huo, Li-Hua; Gao, Shan","A series of helical coordination polymers based on two racemic bis(pyridylmethylene) propane-1,2-diamine ligands: Relationship of conformations, structures and properties","CrystEngComm","2019","","","","","10.1039/C9CE01210A","","","0.71073","MoKα","","0.1029","0.0613","","","0.1424","0.162","","","","","","1.035","","","","has coordinates","220343","2020-10-21","18:00:00",""
"7234800","11.1502","0.0016","7.9734","0.0011","24.052","0.004","90","","101.187","0.014","90","","2097.7","0.6","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 Cl4 N4 Zn2 -","- C15 H20 Cl4 N4 Zn2 -","- C60 H80 Cl16 N16 Zn8 -","4","1","","Zhu, Li-Na; Deng, Zhaopeng; Huo, Li-Hua; Gao, Shan","A series of helical coordination polymers based on two racemic bis(pyridylmethylene) propane-1,2-diamine ligands: Relationship of conformations, structures and properties","CrystEngComm","2019","","","","","10.1039/C9CE01210A","","","0.71073","MoKα","","0.0835","0.0575","","","0.1406","0.1535","","","","","","1.048","","","","has coordinates,has disorder","220343","2020-10-21","18:00:00",""
"7234801","8.8131","0.0005","10.9659","0.0005","18.8718","0.0011","90","","90","","90","","1823.84","0.17","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 Ag N5 O4 -","- C15 H20 Ag N5 O4 -","- C60 H80 Ag4 N20 O16 -","4","1","","Zhu, Li-Na; Deng, Zhaopeng; Huo, Li-Hua; Gao, Shan","A series of helical coordination polymers based on two racemic bis(pyridylmethylene) propane-1,2-diamine ligands: Relationship of conformations, structures and properties","CrystEngComm","2019","","","","","10.1039/C9CE01210A","","","0.71073","MoKα","","0.0645","0.05","","","0.1153","0.1242","","","","","","1.04","","","","has coordinates","220343","2020-10-21","18:00:00",""
"7234802","10.0058","0.0003","13.0872","0.0004","16.0032","0.0004","90","","93.587","0.003","90","","2091.48","0.1","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 Cd2 Cl4 N4 -","- C15 H20 Cd2 Cl4 N4 -","- C60 H80 Cd8 Cl16 N16 -","4","1","","Zhu, Li-Na; Deng, Zhaopeng; Huo, Li-Hua; Gao, Shan","A series of helical coordination polymers based on two racemic bis(pyridylmethylene) propane-1,2-diamine ligands: Relationship of conformations, structures and properties","CrystEngComm","2019","","","","","10.1039/C9CE01210A","","","0.71073","MoKα","","0.0535","0.043","","","0.0941","0.0988","","","","","","1.055","","","","has coordinates,has disorder","220343","2020-10-21","18:00:00",""
"7234803","8.5231","0.0005","12.7666","0.0006","21.774","0.0016","90","","94.182","0.005","90","","2362.9","0.2","295","2","295","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C15 H26 Ag N7 O11 -","- C15 H22 Ag N7 O11 -","- C60 H88 Ag4 N28 O44 -","4","1","","Zhu, Li-Na; Deng, Zhaopeng; Huo, Li-Hua; Gao, Shan","A series of helical coordination polymers based on two racemic bis(pyridylmethylene) propane-1,2-diamine ligands: Relationship of conformations, structures and properties","CrystEngComm","2019","","","","","10.1039/C9CE01210A","","","0.71073","MoKα","","0.1359","0.1005","","","0.2688","0.3008","","","","","","1.046","","","","has coordinates,has disorder","220343","2020-10-21","18:00:00",""
"7234804","9.2925","0.0017","17.4748","0.0016","11.801","0.0014","90","","90","","90","","1916.3","0.5","295","2","295","2","","","","","","","","6","P b c 21","P 2c -2b","29","","","","- C15 H20 Ag Cl N4 O4 -","- C15 H20 Ag Cl N4 O4 -","- C60 H80 Ag4 Cl4 N16 O16 -","4","1","","Zhu, Li-Na; Deng, Zhaopeng; Huo, Li-Hua; Gao, Shan","A series of helical coordination polymers based on two racemic bis(pyridylmethylene) propane-1,2-diamine ligands: Relationship of conformations, structures and properties","CrystEngComm","2019","","","","","10.1039/C9CE01210A","","","0.71073","MoKα","","0.1488","0.0719","","","0.1572","0.195","","","","","","1.034","","","","has coordinates","220343","2020-10-21","18:00:00",""
"7234805","13.2119","0.0009","13.2119","0.0009","19.7637","0.0017","90","","90","","120","","2987.6","0.4","295","2","295","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C15 H20 Cd N4 O4 S -","- C15 H20 Cd N4 O4 S -","- C90 H120 Cd6 N24 O24 S6 -","6","1","","Zhu, Li-Na; Deng, Zhaopeng; Huo, Li-Hua; Gao, Shan","A series of helical coordination polymers based on two racemic bis(pyridylmethylene) propane-1,2-diamine ligands: Relationship of conformations, structures and properties","CrystEngComm","2019","","","","","10.1039/C9CE01210A","","","0.71073","MoKα","","0.0847","0.0591","","","0.1514","0.1666","","","","","","1.031","","","","has coordinates","220343","2020-10-21","18:00:00",""
"7234806","10.1912","0.0012","11.3272","0.0005","18.475","0.001","90","","103.764","0.009","90","","2071.5","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H22 Cd N6 O7 -","- C15 H22 Cd N6 O7 -","- C60 H88 Cd4 N24 O28 -","4","1","","Zhu, Li-Na; Deng, Zhaopeng; Huo, Li-Hua; Gao, Shan","A series of helical coordination polymers based on two racemic bis(pyridylmethylene) propane-1,2-diamine ligands: Relationship of conformations, structures and properties","CrystEngComm","2019","","","","","10.1039/C9CE01210A","","","0.71073","MoKα","","0.0898","0.0608","","","0.1584","0.1766","","","","","","1.022","","","","has coordinates,has disorder","220343","2020-10-21","18:00:00",""
"7234807","8.9927","0.0007","10.6548","0.0008","19.9208","0.0011","90","","90","","90","","1908.7","0.2","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 Ag Cl N4 O4 -","- C15 H20 Ag Cl N4 O4 -","- C60 H80 Ag4 Cl4 N16 O16 -","4","1","","Zhu, Li-Na; Deng, Zhaopeng; Huo, Li-Hua; Gao, Shan","A series of helical coordination polymers based on two racemic bis(pyridylmethylene) propane-1,2-diamine ligands: Relationship of conformations, structures and properties","CrystEngComm","2019","","","","","10.1039/C9CE01210A","","","0.71073","MoKα","","0.0995","0.0625","","","0.1633","0.1908","","","","","","1.039","","","","has coordinates,has disorder","220343","2020-10-21","18:00:00",""
"7234808","9.4896","0.0004","11.622","0.0004","19.7734","0.0008","90","","90","","90","","2180.77","0.15","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 Cd Cl2 N4 O9 -","- C15 H22 Cd Cl2 N4 O9 -","- C60 H88 Cd4 Cl8 N16 O36 -","4","1","","Zhu, Li-Na; Deng, Zhaopeng; Huo, Li-Hua; Gao, Shan","A series of helical coordination polymers based on two racemic bis(pyridylmethylene) propane-1,2-diamine ligands: Relationship of conformations, structures and properties","CrystEngComm","2019","","","","","10.1039/C9CE01210A","","","0.71073","MoKα","","0.0783","0.0712","","","0.1872","0.1956","","","","","","1.018","","","","has coordinates","220343","2020-10-21","18:00:00",""
"7234842","20.536","0.006","12.539","0.002","7.7893","0.0014","90","","91.11","0.02","90","","2005.4","0.8","150","0.1","150","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H36 Ag2 N10 O10 -","- C44 H36 Ag2 N10 O10 -","- C88 H72 Ag4 N20 O20 -","2","0.25","","Parra-Muñoz, Nicole; Hidalgo, Paulina I.; Ripoll, Gerardo; Belmar, Julio; Pasán, Jorge; Jiménez, Claudio A.","Influence of counterions on the supramolecular frameworks of isoquinoline-based silver(i) complexes","CrystEngComm","2020","22","1","95","104","10.1039/C9CE01411J","","","1.5418","CuKα","","0.048","0.0459","","","0.1205","0.1235","","","","","","1.053","","","","has coordinates,has disorder","257435","2020-10-21","18:00:00",""
"7234843","37.8693","0.0014","7.4572","0.0004","17.8043","0.0008","90","","90","","90","","5027.9","0.4","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C50 H42 Ag2 F6 N8 O9 -","- C50.004 H40 Ag2 F6.006 N8 O9.004 -","- C200.016 H160 Ag8 F24.024 N32 O36.016 -","4","0.5","","Parra-Muñoz, Nicole; Hidalgo, Paulina I.; Ripoll, Gerardo; Belmar, Julio; Pasán, Jorge; Jiménez, Claudio A.","Influence of counterions on the supramolecular frameworks of isoquinoline-based silver(i) complexes","CrystEngComm","2020","22","1","95","104","10.1039/C9CE01411J","","x-ray","1.54184","CuKα","","0.0682","0.0447","","","0.1117","0.1286","","","","","","1.035","","","","has coordinates,has disorder","257435","2020-10-21","18:00:00",""
"7234844","22.6683","0.0006","11.9842","0.0002","17.9923","0.0005","90","","111.403","0.003","90","","4550.7","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 Ag F3 N4 O4 -","- C24 H18 Ag F3 N4 O4 -","- C192 H144 Ag8 F24 N32 O32 -","8","1","","Parra-Muñoz, Nicole; Hidalgo, Paulina I.; Ripoll, Gerardo; Belmar, Julio; Pasán, Jorge; Jiménez, Claudio A.","Influence of counterions on the supramolecular frameworks of isoquinoline-based silver(i) complexes","CrystEngComm","2020","22","1","95","104","10.1039/C9CE01411J","","x-ray","1.54184","CuKα","","0.0253","0.0238","","","0.0624","0.0638","","","","","","1.032","","","","has coordinates,has disorder","257435","2020-10-21","18:00:00",""
"7234845","7.2584","0.0002","14.4126","0.0003","21.3749","0.0005","90","","91.472","0.002","90","","2235.34","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 Ag N5 O5 -","- C24 H22 Ag N5 O5 -","- C96 H88 Ag4 N20 O20 -","4","1","","Parra-Muñoz, Nicole; Hidalgo, Paulina I.; Ripoll, Gerardo; Belmar, Julio; Pasán, Jorge; Jiménez, Claudio A.","Influence of counterions on the supramolecular frameworks of isoquinoline-based silver(i) complexes","CrystEngComm","2020","22","1","95","104","10.1039/C9CE01411J","","x-ray","1.54184","CuKα","","0.0385","0.0312","","","0.0766","0.0806","","","","","","1.033","","","","has coordinates","257435","2020-10-21","18:00:00",""
"7234846","9.2321","0.0003","11.438","0.0004","11.853","0.0004","96.574","0.003","91.848","0.002","104.559","0.003","1201.06","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H44 Ag2 Cl2 N8 O12 -","- C48 H44 Ag2 Cl2.024 N8 O12.096 -","- C48 H44 Ag2 Cl2.024 N8 O12.096 -","1","0.5","","Parra-Muñoz, Nicole; Hidalgo, Paulina I.; Ripoll, Gerardo; Belmar, Julio; Pasán, Jorge; Jiménez, Claudio A.","Influence of counterions on the supramolecular frameworks of isoquinoline-based silver(i) complexes","CrystEngComm","2020","22","1","95","104","10.1039/C9CE01411J","","x-ray","1.54184","CuKα","","0.0267","0.0244","","","0.0645","0.0665","","","","","","1.027","","","","has coordinates,has disorder","257435","2020-10-21","18:00:00",""
"7234847","7.3244","0.0006","8.2198","0.0007","19.557","0.001","87.931","0.005","86.794","0.006","88.681","0.007","1174.56","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H22 Ag N5 O6 -","- C23 H22 Ag N5 O6 -","- C46 H44 Ag2 N10 O12 -","2","1","","Parra-Muñoz, Nicole; Hidalgo, Paulina I.; Ripoll, Gerardo; Belmar, Julio; Pasán, Jorge; Jiménez, Claudio A.","Influence of counterions on the supramolecular frameworks of isoquinoline-based silver(i) complexes","CrystEngComm","2020","22","1","95","104","10.1039/C9CE01411J","","","1.5418","CuKα","","0.0784","0.0629","","","0.1642","0.1824","","","","","","1.043","","","","has coordinates","257435","2020-10-21","18:00:00",""
"7234848","8.7388","0.0003","11.7437","0.0004","15.173","0.0004","89.58","0.003","74.494","0.003","80.378","0.003","1478.21","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H30 Ag F3 N4 O8 -","- C26 H30 Ag F3 N4 O8 -","- C52 H60 Ag2 F6 N8 O16 -","2","1","","Parra-Muñoz, Nicole; Hidalgo, Paulina I.; Ripoll, Gerardo; Belmar, Julio; Pasán, Jorge; Jiménez, Claudio A.","Influence of counterions on the supramolecular frameworks of isoquinoline-based silver(i) complexes","CrystEngComm","2020","22","1","95","104","10.1039/C9CE01411J","","x-ray","1.54184","CuKα","","0.0604","0.0486","","","0.1386","0.1495","","","","","","1.052","","","","has coordinates,has disorder","257435","2020-10-21","18:00:00",""
"7234849","17.657","0.0005","21.7188","0.0005","27.9006","0.0005","97.688","0.002","100.408","0.002","98.551","0.002","10263.6","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C320 H460 Gd6 N24 Na2 O218 S32 -","- C320 H280 Gd6 N24 Na2 O218 S32 -","- C320 H280 Gd6 N24 Na2 O218 S32 -","1","0.5","","Loh, Sze Le; Sobolev, Alexandre N.; Lim, Siew Huah; Ling, Irene","Influence of ortho- and meta-substituted N-heterocyclic dications towards the self-assembly of p-sulfonatocalix[4]arene","CrystEngComm","2020","22","1","52","60","10.1039/C9CE01410A","","","1.54178","CuKα","","0.1263","0.1047","","","0.241","0.2561","","","","","","1.401","","","","has coordinates,has disorder","257434","2020-10-21","18:00:00",""
"7234850","13.8053","0.0003","13.8709","0.0003","16.1942","0.0004","65.439","0.002","83.047","0.002","87.191","0.002","2799.73","0.12","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C78 H134 Ce2 Cl N4 Na O63 S8 -","- C78 H108 Ce2 Cl N4 Na O63 S8 -","- C78 H108 Ce2 Cl N4 Na O63 S8 -","1","0.5","","Loh, Sze Le; Sobolev, Alexandre N.; Lim, Siew Huah; Ling, Irene","Influence of ortho- and meta-substituted N-heterocyclic dications towards the self-assembly of p-sulfonatocalix[4]arene","CrystEngComm","2020","22","1","52","60","10.1039/C9CE01410A","","","0.71073","MoKα","","0.0532","0.0434","","","0.1076","0.1112","","","","","","1.007","","","","has coordinates,has disorder","257434","2020-10-21","18:00:00",""
"7234851","13.9722","0.0003","17.1363","0.0007","44.1982","0.0012","97.328","0.003","93.974","0.002","100.205","0.003","10284.1","0.6","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C160 H224 Ce2 Cl N12 Na O104 S16 -","- C160 H180 Ce2 Cl N12 Na O104 S16 -","- C320 H360 Ce4 Cl2 N24 Na2 O208 S32 -","2","1","","Loh, Sze Le; Sobolev, Alexandre N.; Lim, Siew Huah; Ling, Irene","Influence of ortho- and meta-substituted N-heterocyclic dications towards the self-assembly of p-sulfonatocalix[4]arene","CrystEngComm","2020","22","1","52","60","10.1039/C9CE01410A","","","1.54178","CuKα","","0.1649","0.1084","","","0.2528","0.2942","","","","","","1.246","","","","has coordinates,has disorder","257434","2020-10-21","18:00:00",""
"7234852","15.0362","0.0002","17.4614","0.0003","21.0544","0.0003","100.755","0.001","95.9","0.001","98.544","0.001","5321.84","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C74 H126 Er2 N4 O63.5 S8 -","- C74 H78 Er2 N4 O63.4991 S8 -","- C148 H156 Er4 N8 O126.998 S16 -","2","1","","Loh, Sze Le; Sobolev, Alexandre N.; Lim, Siew Huah; Ling, Irene","Influence of ortho- and meta-substituted N-heterocyclic dications towards the self-assembly of p-sulfonatocalix[4]arene","CrystEngComm","2020","22","1","52","60","10.1039/C9CE01410A","","","0.71073","MoKα","","0.0865","0.0752","","","0.1866","0.1949","","","","","","1.003","","","","has coordinates,has disorder","257434","2020-10-21","18:00:00",""
"7234853","15.1413","0.0003","21.5216","0.0004","25.0716","0.0004","105.589","0.001","96.342","0.001","109.239","0.002","7249.8","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C120 H162 Ce1.33 N4 O63 P2 S8 -","- C120 H118 Ce1.3333 N4 O63 P2 S8 -","- C240 H236 Ce2.6666 N8 O126 P4 S16 -","2","1","","Loh, Sze Le; Sobolev, Alexandre N.; Lim, Siew Huah; Ling, Irene","Influence of ortho- and meta-substituted N-heterocyclic dications towards the self-assembly of p-sulfonatocalix[4]arene","CrystEngComm","2020","22","1","52","60","10.1039/C9CE01410A","","","1.54178","CuKα","","0.1028","0.0855","","","0.2439","0.2616","","","","","","1.015","","","","has coordinates,has disorder","257434","2020-10-21","18:00:00",""
"7234854","16.9848","0.0003","17.2326","0.0003","23.7694","0.0004","98.35","0.001","103.459","0.001","116.03","0.002","5831.1","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C200 H286 Cl Er2 N16 Na O102 S16 -","- C200 H284 Cl Er2 N16 Na O102 S16 -","- C200 H284 Cl Er2 N16 Na O102 S16 -","1","0.5","","Loh, Sze Le; Sobolev, Alexandre N.; Lim, Siew Huah; Ling, Irene","Influence of ortho- and meta-substituted N-heterocyclic dications towards the self-assembly of p-sulfonatocalix[4]arene","CrystEngComm","2020","22","1","52","60","10.1039/C9CE01410A","","","0.71073","MoKα","","0.066","0.053","","","0.1289","0.1371","","","","","","1.07","","","","has coordinates,has disorder","257434","2020-10-21","18:00:00",""
"7234855","14.9999","0.0003","17.5274","0.0004","21.1206","0.0004","100.434","0.002","96.481","0.002","98.621","0.002","5343","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C144 H258 Ce4 N8 O133 S16 -","- C144 H180 Ce4 N8 O133 S16 -","- C144 H180 Ce4 N8 O133 S16 -","1","0.5","","Loh, Sze Le; Sobolev, Alexandre N.; Lim, Siew Huah; Ling, Irene","Influence of ortho- and meta-substituted N-heterocyclic dications towards the self-assembly of p-sulfonatocalix[4]arene","CrystEngComm","2020","22","1","52","60","10.1039/C9CE01410A","","","0.71073","MoKα","","0.1536","0.1066","","","0.2585","0.2932","","","","","","1.004","","","","has coordinates,has disorder","257434","2020-10-21","18:00:00",""
"7234856","22.4311","0.0003","36.5505","0.0004","43.3752","0.0008","90","","104.433","0.002","90","","34439.6","0.9","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C576 H812 Cl Gd10 N24 Na O358 P6 S48 -","- C576 H588 Cl Gd10 N24 Na O358 P6 S48 -","- C1152 H1176 Cl2 Gd20 N48 Na2 O716 P12 S96 -","2","0.5","","Loh, Sze Le; Sobolev, Alexandre N.; Lim, Siew Huah; Ling, Irene","Influence of ortho- and meta-substituted N-heterocyclic dications towards the self-assembly of p-sulfonatocalix[4]arene","CrystEngComm","2020","22","1","52","60","10.1039/C9CE01410A","","","1.54178","CuKα","","0.1219","0.0975","","","0.2571","0.2824","","","","","","1.008","","","","has coordinates,has disorder","257434","2020-10-21","18:00:00",""
"7234857","15.2241","0.0002","17.7001","0.0003","20.5479","0.0003","100.785","0.001","96.463","0.001","97.675","0.001","5336.4","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H126 Gd2 N4 O65 S8 -","- C72 H126 Gd2 N4 O65 S8 -","- C144 H252 Gd4 N8 O130 S16 -","2","1","","Loh, Sze Le; Sobolev, Alexandre N.; Lim, Siew Huah; Ling, Irene","Influence of ortho- and meta-substituted N-heterocyclic dications towards the self-assembly of p-sulfonatocalix[4]arene","CrystEngComm","2020","22","1","52","60","10.1039/C9CE01410A","","","0.71073","MoKα","","0.046","0.0354","","","0.0813","0.0861","","","","","","1","","","","has coordinates","257434","2020-10-21","18:00:00",""
"7234880","9.3608","0.0003","9.9545","0.0004","17.4674","0.0005","93.775","0.003","102.159","0.002","112.23","0.003","1453.7","0.09","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H56 N16 O20 Zn2 -","- C48 H56 N16 O20 Zn2 -","- C48 H56 N16 O20 Zn2 -","1","0.5","","Kumar, Girijesh; Rani, Pooja; Sharma, Anjali; Husain, Ahmad; Kumar, Gulshan; Kaur, Harpreet; Bhasin, K.k","Selective recognition of Fe3+ and CrO42- ions using Zn(II) metallacycle and Cd(II) coordination polymer and their heterogeneous catalytic application","CrystEngComm","2019","","","","","10.1039/C9CE01357A","","x-ray","0.71073","MoKα","","0.0583","0.0433","","","0.1082","0.1143","","","","","","1.075","","","","has coordinates","220578","2020-10-21","18:00:00",""
"7234881","10.1917","0.0003","18.4359","0.0005","11.7353","0.0003","90","","95.771","0.002","90","","2193.81","0.1","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H42 Cd N12 O12 -","- C42 H42 Cd N12 O12 -","- C84 H84 Cd2 N24 O24 -","2","0.5","","Kumar, Girijesh; Rani, Pooja; Sharma, Anjali; Husain, Ahmad; Kumar, Gulshan; Kaur, Harpreet; Bhasin, K.k","Selective recognition of Fe3+ and CrO42- ions using Zn(II) metallacycle and Cd(II) coordination polymer and their heterogeneous catalytic application","CrystEngComm","2019","","","","","10.1039/C9CE01357A","","x-ray","0.71073","MoKα","","0.1022","0.0496","","","0.0832","0.0969","","","","","","0.966","","","","has coordinates","220578","2020-10-21","18:00:00",""
"7234893","14.234","0.0013","19.8446","0.0019","15.452","0.0016","90","","106.326","0.003","90","","4188.7","0.7","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C100 H52 Cu4 N32 -","- C100 H52 Cu4 N32 -","- C200 H104 Cu8 N64 -","2","0.5","","Ishikawa, Ryuta; Ueno, Shunya; Iguchi, Hiroaki; Breedlove, Brian K.; Yamashita, Masahiro; Kawata, Satoshi","Supramolecular self-assembled coordination architecture composed of a doubly bis(2-pyridyl)pyrazolate bridged dinuclear CuII complex and 7,7′,8,8′,-tetracyano-p-quinodimethanide radicals","CrystEngComm","2020","22","2","159","163","10.1039/C9CE01580A","","","0.71075","MoKα","","0.0688","0.0433","","","0.1126","0.1321","","","","","","1.043","","","","has coordinates","257462","2020-10-21","18:00:00",""
"7234916","7.7024","0.0011","15.716","0.002","18.368","0.003","90","","90","","90","","2223.5","0.6","298","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H30 Cl4 N4 O -","- C18 H30 Cl4 N4 O -","- C72 H120 Cl16 N16 O4 -","4","1","","Li, Haitao; Yang, Yuxia; Famulari, Antonino; Xin, Lianxin; Martí-Rujas, Javier; Guo, Fang","Reactivity among first and second coordination spheres using a multiprotonated ligand and Cu(ii) in the solid-state","CrystEngComm","2019","21","29","4354","","10.1039/C9CE00783K","","","0.71073","MoKα","","0.0342","0.0323","","","0.0775","0.0789","","","","","","1.12","","","","has coordinates","223240","2020-10-21","18:00:00",""
"7234917","6.9923","0.0005","14.3694","0.001","12.7878","0.0009","90","","101.514","0.002","90","","1259","0.15","298","","298","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H30 Cl6 Cu N4 O -","- C18 H30 Cl6 Cu N4 O -","- C36 H60 Cl12 Cu2 N8 O2 -","2","1","","Li, Haitao; Yang, Yuxia; Famulari, Antonino; Xin, Lianxin; Martí-Rujas, Javier; Guo, Fang","Reactivity among first and second coordination spheres using a multiprotonated ligand and Cu(ii) in the solid-state","CrystEngComm","2019","21","29","4354","","10.1039/C9CE00783K","","","0.71073","MoKα","","0.0377","0.0368","","","0.0973","0.0979","","","","","","1.074","","","","has coordinates","223240","2020-10-21","18:00:00",""
"7234918","9.8247","0.0004","9.8247","0.0004","32.973","0.002","90","","90","","120","","2756.3","0.2","298","","298","","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C18 H24 Cl2 Cu N4 -","- C18 H24 Cl2 Cu N4 -","- C108 H144 Cl12 Cu6 N24 -","6","0.5","","Li, Haitao; Yang, Yuxia; Famulari, Antonino; Xin, Lianxin; Martí-Rujas, Javier; Guo, Fang","Reactivity among first and second coordination spheres using a multiprotonated ligand and Cu(ii) in the solid-state","CrystEngComm","2019","21","29","4354","","10.1039/C9CE00783K","","","0.71073","MoKα","","0.0333","0.0322","","","0.0783","0.0789","","","","","","1.174","","","","has coordinates","223240","2020-10-21","18:00:00",""
"7234919","13.7107","0.0008","23.0021","0.0014","7.9717","0.0004","90","","90","","90","","2514.1","0.2","150","2","149.65","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C18 H28 Cl6 Cu N4 -","- C18 H28 Cl6 Cu N4 -","- C72 H112 Cl24 Cu4 N16 -","4","1","","Li, Haitao; Yang, Yuxia; Famulari, Antonino; Xin, Lianxin; Martí-Rujas, Javier; Guo, Fang","Reactivity among first and second coordination spheres using a multiprotonated ligand and Cu(ii) in the solid-state","CrystEngComm","2019","21","29","4354","","10.1039/C9CE00783K","","","0.71073","MoKα","","0.0864","0.0646","","","0.1546","0.1669","","","","","","1.036","","","","has coordinates,has disorder","223240","2020-10-21","18:00:00",""
"7234920","16.54","0.02","5.411","0.007","17.9","0.02","90","","100.47","0.02","90","","1575","3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","metropolol","1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol]","","- C15 H25 N O3 -","- C15 H25 N O3 -","- C60 H100 N4 O12 -","4","1","","Ciciliati, Mariani A.; Eusébio, M. Ermelinda S.; Silva, Manuela Ramos; Cavalheiro, Éder T. G.; Castro, Ricardo A. E.","Metoprolol: solid forms of a top selling antihypertensive","CrystEngComm","2019","21","29","4319","","10.1039/C9CE00700H","","","0.71073","MoKα","","0.4226","0.079","","","0.0901","0.1541","","","","","","0.857","","","","has coordinates","223241","2020-10-21","18:00:00",""
"7234921","8.174","0.0017","9.264","0.002","14.884","0.003","98.244","0.005","96.622","0.004","99.623","0.005","1088.5","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-hydroxy-N-isopropyl-3-(4-(2-methoxyethyl)phenoxy)propan-1-aminium nicotinate","","- C21 H30 N2 O5 -","- C21 H30 N2 O5 -","- C42 H60 N4 O10 -","2","1","","Ciciliati, Mariani A.; Eusébio, M. Ermelinda S.; Silva, Manuela Ramos; Cavalheiro, Éder T. G.; Castro, Ricardo A. E.","Metoprolol: solid forms of a top selling antihypertensive","CrystEngComm","2019","21","29","4319","","10.1039/C9CE00700H","","","0.71073","MoKα","","0.2085","0.0779","","","0.2109","0.2763","","","","","","0.975","","","","has coordinates","223241","2020-10-21","18:00:00",""
"7234922","22.5314","0.0007","18.9885","0.0008","7.8845","0.0003","90","","90","","90","","3373.3","0.2","300","2","300.15","","","","","","","","","5","P n c a","-P 2a 2n","60","","","","- C6 H16 Br5 N2 Sb -","- C6 H16 Br5 N2 Sb -","- C48 H128 Br40 N16 Sb8 -","8","1","","Li, Maofan; Teng, Bing; Han, Shiguo; Yang, Tao; Li, Yaobin; Liu, Yi; Zhang, Xinyuan; Liu, Xitao; Luo, Junhua; Sun, Zhihua","Near-room-temperature tunable dielectric response induced by dual phase transitions in a lead-free hybrid: (C3H8N)2SbBr5","CrystEngComm","2019","21","24","3740","","10.1039/C9CE00458K","","","0.71073","MoKα","","0.1203","0.0527","","","0.1171","0.1477","","","","","","1.005","","","","has coordinates","223242","2020-10-21","18:00:00",""
"7234923","11.894","0.002","19.099","0.004","7.8047","0.0016","90","","108.91","0.03","90","","1677.3","0.6","270","2","270","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H16 Br5 N2 Sb -","- C6 H16 Br5 N2 Sb -","- C24 H64 Br20 N8 Sb4 -","4","1","","Li, Maofan; Teng, Bing; Han, Shiguo; Yang, Tao; Li, Yaobin; Liu, Yi; Zhang, Xinyuan; Liu, Xitao; Luo, Junhua; Sun, Zhihua","Near-room-temperature tunable dielectric response induced by dual phase transitions in a lead-free hybrid: (C3H8N)2SbBr5","CrystEngComm","2019","21","24","3740","","10.1039/C9CE00458K","","","0.71073","MoKα","","0.0415","0.0313","","","0.0643","0.0691","","","","","","1.019","","","","has coordinates","223242","2020-10-21","18:00:00",""
"7234924","22.4485","0.0006","18.9653","0.0005","7.9488","0.0002","90","","90","","90","","3384.14","0.15","325","2","325.15","","","","","","","","","5","B b e m","-B 2 2ab","64","","","","- C6 H16 Br5 N2 Sb -","- C6 H16 Br5 N2 Sb -","- C48 H128 Br40 N16 Sb8 -","8","0.5","","Li, Maofan; Teng, Bing; Han, Shiguo; Yang, Tao; Li, Yaobin; Liu, Yi; Zhang, Xinyuan; Liu, Xitao; Luo, Junhua; Sun, Zhihua","Near-room-temperature tunable dielectric response induced by dual phase transitions in a lead-free hybrid: (C3H8N)2SbBr5","CrystEngComm","2019","21","24","3740","","10.1039/C9CE00458K","","","0.71073","MoKα","","0.0741","0.0454","","","0.1136","0.129","","","","","","1.023","","","","has coordinates,has disorder","223242","2020-10-21","18:00:00",""
"7234925","11.2465","0.0003","11.2465","0.0003","11.2217","0.0006","90","","90","","120","","1229.2","0.08","298","","298","","","","","","","","","4","R -3 :H","-R 3","148","","","","- Ba0.5 Ga0.33 I2 O6 -","- Ba0.5 Ga0.333333 I2 O6 -","- Ba4.5 Ga3 I18 O54 -","9","0.5","","Xiao, Lei; You, Fengguang; Gong, Pifu; Hu, Zhanggui; Lin, Zheshuai","Synthesis and structure of a new mixed metal iodate Ba3Ga2(IO3)12","CrystEngComm","2019","21","33","4981","","10.1039/C9CE00814D","","","0.71073","MoKα","","0.0409","0.0397","","","0.0941","0.0948","","","","","","1.083","","","","has coordinates","223244","2020-10-21","18:00:00",""
"7234926","12.5378","0.0017","12.7153","0.0017","21.843","0.003","90","","102.085","0.004","90","","3405.1","0.8","173","","173","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C41 H26 Cd N4 O7 -","- C41 H26 Cd N4 O7 -","- C164 H104 Cd4 N16 O28 -","4","1","","Fan, Chuanbin; Zong, Ziao; Meng, Xiangmin; Zhang, Xia; Zhang, Xiaoyin; Zhang, Dongmei; Xu, Cungang; Wang, Hu; Fan, Yuhua","Rational synthesis, crystal structure, and sensing and adsorption properties of luminescent metal‒organic frameworks","CrystEngComm","2019","21","33","4880","","10.1039/C9CE00545E","","","0.71073","MoKα","","0.0756","0.0467","","","0.0989","0.1119","","","","","","0.974","","","","has coordinates","223245","2020-10-21","18:00:00",""
"7234927","9.9901","0.0009","10.2697","0.001","21.862","0.002","86.042","0.002","87.985","0.002","63.233","0.002","1997.8","0.3","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C43 H30 Cd3 N4 O16 -","- C43 H30 Cd3 N4 O16 -","- C86 H60 Cd6 N8 O32 -","2","1","","Fan, Chuanbin; Zong, Ziao; Meng, Xiangmin; Zhang, Xia; Zhang, Xiaoyin; Zhang, Dongmei; Xu, Cungang; Wang, Hu; Fan, Yuhua","Rational synthesis, crystal structure, and sensing and adsorption properties of luminescent metal‒organic frameworks","CrystEngComm","2019","21","33","4880","","10.1039/C9CE00545E","","","0.71073","MoKα","","0.05","0.0389","","","0.0992","0.109","","","","","","1.04","","","","has coordinates","223245","2020-10-21","18:00:00",""
"7234928","9.7767","0.0008","10.1909","0.0008","12.5613","0.001","66.905","0.001","74.382","0.002","71.258","0.002","1075.35","0.15","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H36 Cd3 N4 O18 -","- C40 H36 Cd3 N4 O18 -","- C40 H36 Cd3 N4 O18 -","1","0.5","","Fan, Chuanbin; Zong, Ziao; Meng, Xiangmin; Zhang, Xia; Zhang, Xiaoyin; Zhang, Dongmei; Xu, Cungang; Wang, Hu; Fan, Yuhua","Rational synthesis, crystal structure, and sensing and adsorption properties of luminescent metal‒organic frameworks","CrystEngComm","2019","21","33","4880","","10.1039/C9CE00545E","","","0.71073","MoKα","","0.0282","0.0252","","","0.067","0.0692","","","","","","1.075","","","","has coordinates","223245","2020-10-21","18:00:00",""
"7234929","9.6398","0.0008","12.1917","0.0011","25.562","0.002","90","","90","","90","","3004.2","0.4","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H22 Cd N4 O8 -","- C33 H22 Cd N4 O8 -","- C132 H88 Cd4 N16 O32 -","4","1","","Fan, Chuanbin; Zong, Ziao; Meng, Xiangmin; Zhang, Xia; Zhang, Xiaoyin; Zhang, Dongmei; Xu, Cungang; Wang, Hu; Fan, Yuhua","Rational synthesis, crystal structure, and sensing and adsorption properties of luminescent metal‒organic frameworks","CrystEngComm","2019","21","33","4880","","10.1039/C9CE00545E","","","0.71073","MoKα","","0.0449","0.0365","","","0.0671","0.071","","","","","","1.014","","","","has coordinates,has disorder","223245","2020-10-21","18:00:00",""
"7234930","14.0389","0.001","13.765","0.0009","28.8767","0.0018","90","","98.241","0.001","90","","5522.7","0.6","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H46 Cd3 N8 O16 -","- C58 H46 Cd3 N8 O16 -","- C232 H184 Cd12 N32 O64 -","4","0.5","","Fan, Chuanbin; Zong, Ziao; Meng, Xiangmin; Zhang, Xia; Zhang, Xiaoyin; Zhang, Dongmei; Xu, Cungang; Wang, Hu; Fan, Yuhua","Rational synthesis, crystal structure, and sensing and adsorption properties of luminescent metal‒organic frameworks","CrystEngComm","2019","21","33","4880","","10.1039/C9CE00545E","","","0.71073","MoKα","","0.0318","0.0267","","","0.0577","0.0597","","","","","","1.058","","","","has coordinates","223245","2020-10-21","18:00:00",""
"7234931","21.5195","0.0007","8.8433","0.0003","16.5517","0.0005","90","","90.697","0.003","90","","3149.61","0.18","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H7 I5 O3 -","- C9 H7 I5 O3 -","- C72 H56 I40 O24 -","8","2","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halogen bonding in the structures of pentaiodobenzoic acid and its salts","CrystEngComm","2019","21","43","6666","","10.1039/C9CE01106D","","x-ray","0.71073","MoKα","","0.0386","0.0266","","","0.0499","0.0547","","","","","","1.02","","","","has coordinates","223246","2020-10-21","18:00:00",""
"7234932","37.861","0.003","9.2563","0.0005","9.274","0.0005","90","","90","","90","","3250.1","0.4","130","2","130","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C7 H4 I5 K O4 -","- C7 I5 K O4 -","- C56 I40 K8 O32 -","8","0.5","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halogen bonding in the structures of pentaiodobenzoic acid and its salts","CrystEngComm","2019","21","43","6666","","10.1039/C9CE01106D","","x-ray","0.71073","MoKα","","0.0356","0.0321","","","0.0834","0.0859","","","","","","1.109","","","","has coordinates,has disorder","223246","2020-10-21","18:00:00",""
"7234933","17.9973","0.0006","11.054","0.0005","10.3194","0.0004","90","","90","","90","","2052.96","0.14","130","2","130","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C13 H16 I5 N O2 -","- C13 H16 I5 N O2 -","- C52 H64 I20 N4 O8 -","4","1","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halogen bonding in the structures of pentaiodobenzoic acid and its salts","CrystEngComm","2019","21","43","6666","","10.1039/C9CE01106D","","x-ray","0.71073","MoKα","","0.0417","0.0385","","","0.0856","0.0874","","","","","","1.107","","","","has coordinates","223246","2020-10-21","18:00:00",""
"7234934","8.2333","0.0004","15.4642","0.0009","20.9533","0.0009","90","","90","","90","","2667.8","0.2","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H29 I5 N2 O3 -","- C19 H29 I5 N2 O3 -","- C76 H116 I20 N8 O12 -","4","1","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halogen bonding in the structures of pentaiodobenzoic acid and its salts","CrystEngComm","2019","21","43","6666","","10.1039/C9CE01106D","","x-ray","0.71073","MoKα","","0.0383","0.0322","","","0.0584","0.0614","","","","","","1.021","","","","has coordinates","223246","2020-10-21","18:00:00",""
"7234935","8.324","0.0004","16.4369","0.0006","9.5423","0.0004","90","","98.004","0.004","90","","1292.87","0.1","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H28 I5 N O2 -","- C19 H28 I5 N O2 -","- C38 H56 I10 N2 O4 -","2","1","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halogen bonding in the structures of pentaiodobenzoic acid and its salts","CrystEngComm","2019","21","43","6666","","10.1039/C9CE01106D","","x-ray","0.71073","MoKα","","0.0332","0.0314","","","0.069","0.07","","","","","","1.064","","","","has coordinates","223246","2020-10-21","18:00:00",""
"7234936","7.006","0.005","9.684","0.005","11.987","0.005","69.91","0.005","89.44","0.005","84.97","0.005","760.7","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H13 Cl4 N3 O Sn -","- C9 H13 Cl4 N3 O Sn -","- C18 H26 Cl8 N6 O2 Sn2 -","2","1","","Oliveira, Willian X. C.; do Pim, Walace D.; Pinheiro, Carlos B.; Journaux, Yves; Julve, Miguel; Pereira, Cynthia L. M.","Monitoring the hydrogen bond net configuration and the dimensionality of aniline and phenyloxamate by adding 1H-pyrazole and isoxazole as substituents for molecular self-recognition","CrystEngComm","2019","21","17","2818","","10.1039/C9CE00215D","","","1.5418","CuKα","","0.1083","0.0743","","","0.1708","0.204","","","","","","1.061","","","","has coordinates","223248","2020-10-21","18:00:00",""
"7234937","7.0873","0.0002","18.2022","0.0006","20.2832","0.0007","90","","90","","90","","2616.62","0.15","290","2","290","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C18 H18 Cl6 N4 O2 Sn -","- C18 H18 Cl6 N4 O2 Sn -","- C72 H72 Cl24 N16 O8 Sn4 -","4","0.25","","Oliveira, Willian X. C.; do Pim, Walace D.; Pinheiro, Carlos B.; Journaux, Yves; Julve, Miguel; Pereira, Cynthia L. M.","Monitoring the hydrogen bond net configuration and the dimensionality of aniline and phenyloxamate by adding 1H-pyrazole and isoxazole as substituents for molecular self-recognition","CrystEngComm","2019","21","17","2818","","10.1039/C9CE00215D","","","1.5418","CuKα","","0.0628","0.0474","","","0.1185","0.13","","","","","","1.052","","","","has coordinates","223248","2020-10-21","18:00:00",""
"7234938","8.472","0.0011","20.459","0.003","7.199","0.0016","90","","96.958","0.016","90","","1238.6","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C52 H48 N8 O16 -","4","1","","Oliveira, Willian X. C.; do Pim, Walace D.; Pinheiro, Carlos B.; Journaux, Yves; Julve, Miguel; Pereira, Cynthia L. M.","Monitoring the hydrogen bond net configuration and the dimensionality of aniline and phenyloxamate by adding 1H-pyrazole and isoxazole as substituents for molecular self-recognition","CrystEngComm","2019","21","17","2818","","10.1039/C9CE00215D","","","0.71073","MoKα","","0.1063","0.0521","","","0.1136","0.1407","","","","","","1.058","","","","has coordinates","223248","2020-10-21","18:00:00",""
"7234939","11.7417","0.0014","9.6253","0.0015","22.1211","0.0015","90","","99.154","0.008","90","","2468.2","0.5","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H41 N3 O3 -","- C25 H41 N3 O3 -","- C100 H164 N12 O12 -","4","1","","Oliveira, Willian X. C.; do Pim, Walace D.; Pinheiro, Carlos B.; Journaux, Yves; Julve, Miguel; Pereira, Cynthia L. M.","Monitoring the hydrogen bond net configuration and the dimensionality of aniline and phenyloxamate by adding 1H-pyrazole and isoxazole as substituents for molecular self-recognition","CrystEngComm","2019","21","17","2818","","10.1039/C9CE00215D","","","0.71073","MoKα","","0.0746","0.0482","","","0.1033","0.1187","","","","","","1.027","","","","has coordinates","223248","2020-10-21","18:00:00",""
"7234940","17.8761","0.0015","20.1749","0.0011","31.536","0.003","90","","104.661","0.008","90","","11003.1","1.6","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H90 N8 O7 -","- C54 H90 N8 O7 -","- C432 H720 N64 O56 -","8","2","","Oliveira, Willian X. C.; do Pim, Walace D.; Pinheiro, Carlos B.; Journaux, Yves; Julve, Miguel; Pereira, Cynthia L. M.","Monitoring the hydrogen bond net configuration and the dimensionality of aniline and phenyloxamate by adding 1H-pyrazole and isoxazole as substituents for molecular self-recognition","CrystEngComm","2019","21","17","2818","","10.1039/C9CE00215D","","","0.71073","MoKα","","0.136","0.076","","","0.1947","0.2331","","","","","","1.052","","","","has coordinates,has disorder","223248","2020-10-21","18:00:00",""
"7234941","34.2069","0.0007","57.0341","0.0009","12.1673","0.0002","90","","90","","90","","23737.9","0.7","100","","100","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C72.79 H45.79 Fe3 N4.36 O13 S6 -","- C72.79 H45.79 Fe3 N4.358 O13 S6 -","- C582.32 H366.32 Fe24 N34.864 O104 S48 -","8","1","","Vicent-Morales, María; Vitórica-Yrezábal, Iñigo J.; Souto, Manuel; Mínguez Espallargas, Guillermo","Influence of interpenetration on the flexibility of MUV-2","CrystEngComm","2019","21","19","3031","","10.1039/C9CE00233B","","x-ray","0.6889","Synchrotron","","0.1221","0.1143","","","0.3166","0.3262","","","","","","1.37","","","","has coordinates,has disorder","223249","2020-10-21","18:00:00",""
"7234942","41.3632","0.0011","18.7393","0.0004","17.7052","0.0004","90","","90","","90","","13723.6","0.6","293","2","293","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C22.86 H14.62 N0.6 O8.12 Zn2 -","- C22.863 H14.609 N0.595 O8.121 Zn2 -","- C365.808 H233.744 N9.52 O129.936 Zn32 -","16","2","","Pan, Ying; Ding, Qiongjie; Xu, Hongjia; Shi, Chunyue; Singh, Amita; Kumar, Abhinav; Liu, Jianqiang","A new Zn(ii)-based 3D metal‒organic framework with uncommon sev topology and its photocatalytic properties for the degradation of organic dyes","CrystEngComm","2019","21","31","4578","","10.1039/C9CE00759H","","","0.71073","MoKα","","0.0847","0.07","","","0.17","0.1791","","","","","","1.062","","","","has coordinates,has disorder","223250","2020-10-21","18:00:00",""
"7234943","14.223","0.002","19.574","0.003","19.197","0.003","90","","90","","90","","5344.5","1.4","103","2","103","2","","","","","","","","7","C m c e","-C 2ac 2","64","","","","- C19 H24 B Cu3 N9 S3 W -","- C19 H24 B Cu3 N9 S3 W -","- C152 H192 B8 Cu24 N72 S24 W8 -","8","0.5","","Liu, Quan; Xu, Hong-Juan; Yu, Li-Ce; Lu, Ming-Jie; Shang, Yan-Fang; Song, Ying-Lin; Zhang, Wen-Hua; Lang, Jian-Ping","Isoreticular Tp*‒W‒Cu‒S cluster-based one-dimensional coordination polymers with an uncommon [Tp*WS3Cu2] + [Cu] combination and their third-order nonlinear optical properties","CrystEngComm","2019","21","21","3343","","10.1039/C9CE00439D","","","0.71073","MoKα","","0.0523","0.0439","","","0.1551","0.1614","","","","","","1.077","","","","has coordinates","223251","2020-10-21","18:00:00",""
"7234944","19.2754","0.0019","18.5717","0.0018","19.6406","0.0019","90","","90","","90","","7030.9","1.2","103","2","103","2","","","","","","","","8","P c c a","-P 2a 2ac","54","","","","- C47 H59 B2 Cu6 N19 O S6 W2 -","- C47 H59 B2 Cu6 N19 O S6 W2 -","- C188 H236 B8 Cu24 N76 O4 S24 W8 -","4","0.5","","Liu, Quan; Xu, Hong-Juan; Yu, Li-Ce; Lu, Ming-Jie; Shang, Yan-Fang; Song, Ying-Lin; Zhang, Wen-Hua; Lang, Jian-Ping","Isoreticular Tp*‒W‒Cu‒S cluster-based one-dimensional coordination polymers with an uncommon [Tp*WS3Cu2] + [Cu] combination and their third-order nonlinear optical properties","CrystEngComm","2019","21","21","3343","","10.1039/C9CE00439D","","","0.71073","MoKα","","0.04","0.0286","","","0.0826","0.0946","","","","","","1.135","","","","has coordinates","223251","2020-10-21","18:00:00",""
"7234945","19.161","0.003","22.823","0.004","19.486","0.003","90","","90","","90","","8521","2","103","2","103","2","","","","","","","","8","P c c a","-P 2a 2ac","54","","","","- C28 H35 B Cu3 N10 O S3 W -","- C28 H35 B Cu3 N10 O S3 W -","- C224 H280 B8 Cu24 N80 O8 S24 W8 -","8","1","","Liu, Quan; Xu, Hong-Juan; Yu, Li-Ce; Lu, Ming-Jie; Shang, Yan-Fang; Song, Ying-Lin; Zhang, Wen-Hua; Lang, Jian-Ping","Isoreticular Tp*‒W‒Cu‒S cluster-based one-dimensional coordination polymers with an uncommon [Tp*WS3Cu2] + [Cu] combination and their third-order nonlinear optical properties","CrystEngComm","2019","21","21","3343","","10.1039/C9CE00439D","","","0.71073","MoKα","","0.1388","0.0877","","","0.2194","0.2557","","","","","","1.056","","","","has coordinates","223251","2020-10-21","18:00:00",""
"7234946","14.3757","0.0017","14.3757","0.0017","14.3757","0.0017","90","","90","","90","","2970.9","0.6","293","2","293","2","","","","","","","","5","I 21 3","I 2b 2c 3","199","","","","- C24 H9 N3 O18 Sc2 -","- C24 H9 N3 O18 Sc2 -","- C96 H36 N12 O72 Sc8 -","4","0.166667","","Chai, Juan; Zhang, Ping; Shi, Xiangxiang; Sun, Jing; Wang, Li; Fan, Yong","Three helical chain-based 3D coordination polymers: solvent-induced syntheses, tunable structures and catalytic properties for the Strecker reaction","CrystEngComm","2019","21","36","5440","","10.1039/C9CE00972H","","","0.71073","MoKα","","0.0439","0.0395","","","0.1115","0.1142","","","","","","1.129","","","","has coordinates","223252","2020-10-21","18:00:00",""
"7234947","22.401","0.003","22.401","0.003","11.964","0.002","90","","90","","90","","6003.6","1.5","293","2","293","2","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","","","- C8 H5 N O5 Sc -","- C8 H5 N O5 Sc -","- C128 H80 N16 O80 Sc16 -","16","0.5","","Chai, Juan; Zhang, Ping; Shi, Xiangxiang; Sun, Jing; Wang, Li; Fan, Yong","Three helical chain-based 3D coordination polymers: solvent-induced syntheses, tunable structures and catalytic properties for the Strecker reaction","CrystEngComm","2019","21","36","5440","","10.1039/C9CE00972H","","","0.71073","MoKα","","0.0692","0.0649","","","0.2007","0.2042","","","","","","1.223","","","","has coordinates","223252","2020-10-21","18:00:00",""
"7234948","13.9899","0.0004","13.9899","0.0004","13.9899","0.0004","90","","90","","90","","2738.07","0.14","293","2","293","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C24 H15 N3 O12 Sc2 -","- C24 H15 N3 O12 Sc2 -","- C96 H60 N12 O48 Sc8 -","4","0.333333","","Chai, Juan; Zhang, Ping; Shi, Xiangxiang; Sun, Jing; Wang, Li; Fan, Yong","Three helical chain-based 3D coordination polymers: solvent-induced syntheses, tunable structures and catalytic properties for the Strecker reaction","CrystEngComm","2019","21","36","5440","","10.1039/C9CE00972H","","","0.71073","MoKα","","0.0464","0.0348","","","0.0655","0.0682","","","","","","0.946","","","","has coordinates","223252","2020-10-21","18:00:00",""
"7234949","17.5069","0.0007","17.4747","0.0006","14.4628","0.0005","90","","109.016","0.001","90","","4183.1","0.3","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H42 Cd2 N8 O11 -","- C41 H39 Cd2 N8 O11 -","- C164 H156 Cd8 N32 O44 -","4","0.5","","Liang, Jinxia; Zhang, Jie; Liang, Jinfang; Zhai, Lijun; Wu, Haonan; Niu, Xiaoyan; Hu, Tuoping","Five new coordination polymers with a Y-shaped N-heterocyclic carboxylic acid: structural diversity, bifunctional luminescence sensing and magnetic properties","CrystEngComm","2019","21","38","5767","","10.1039/C9CE00988D","","","0.71073","MoKα","","0.0748","0.0469","","","0.1069","0.1199","","","","","","1.012","","","","has coordinates,has disorder","223254","2020-10-21","18:00:00",""
"7234950","11.28","0.003","12.21","0.003","25.674","0.006","88.707","0.003","80.776","0.002","71.884","0.003","3315.9","1.4","293.15","","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C156 H114 Cd2 N20 O17 -","- C156 H114 Cd2 N20 O17 -","- C156 H114 Cd2 N20 O17 -","1","0.5","","Liang, Jinxia; Zhang, Jie; Liang, Jinfang; Zhai, Lijun; Wu, Haonan; Niu, Xiaoyan; Hu, Tuoping","Five new coordination polymers with a Y-shaped N-heterocyclic carboxylic acid: structural diversity, bifunctional luminescence sensing and magnetic properties","CrystEngComm","2019","21","38","5767","","10.1039/C9CE00988D","","","0.71073","MoKα","","0.111","0.056","","","0.1219","0.1397","","","","","","0.977","","","","has coordinates,has disorder","223254","2020-10-21","18:00:00",""
"7234951","26.7899","0.0014","9.0952","0.0005","25.996","0.0013","90","","90","","90","","6334.2","0.6","150","","150","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C132 H108 N20 Ni4 O24 -","- C132 H108 N20 Ni4 O24 -","- C264 H216 N40 Ni8 O48 -","2","0.25","","Liang, Jinxia; Zhang, Jie; Liang, Jinfang; Zhai, Lijun; Wu, Haonan; Niu, Xiaoyan; Hu, Tuoping","Five new coordination polymers with a Y-shaped N-heterocyclic carboxylic acid: structural diversity, bifunctional luminescence sensing and magnetic properties","CrystEngComm","2019","21","38","5767","","10.1039/C9CE00988D","","","0.71073","MoKα","","0.1139","0.0924","","","0.1876","0.1976","","","","","","1.193","","","","has coordinates,has disorder","223254","2020-10-21","18:00:00",""
"7234952","45.4283","0.0015","9.7068","0.0003","21.2371","0.0007","90","","109.192","0.001","90","","8844.3","0.5","190","","190.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C168 H168 Mn8 N32 O44 -","- C168 H168 Mn8 N32 O44 -","- C336 H336 Mn16 N64 O88 -","2","0.25","","Liang, Jinxia; Zhang, Jie; Liang, Jinfang; Zhai, Lijun; Wu, Haonan; Niu, Xiaoyan; Hu, Tuoping","Five new coordination polymers with a Y-shaped N-heterocyclic carboxylic acid: structural diversity, bifunctional luminescence sensing and magnetic properties","CrystEngComm","2019","21","38","5767","","10.1039/C9CE00988D","","","0.71073","MoKα","","0.1152","0.0882","","","0.2375","0.2588","","","","","","1.05","","","","has coordinates,has disorder","223254","2020-10-21","18:00:00",""
"7234953","33.1406","0.0009","33.1406","0.0009","37.1579","0.0009","90","","90","","120","","35342.9","1.6","150.15","","150.15","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C44 H32 N8 Ni2 O9 -","- C37.656 H25.656 N7 Ni2 O8 -","- C677.808 H461.808 N126 Ni36 O144 -","18","0.5","","Liang, Jinxia; Zhang, Jie; Liang, Jinfang; Zhai, Lijun; Wu, Haonan; Niu, Xiaoyan; Hu, Tuoping","Five new coordination polymers with a Y-shaped N-heterocyclic carboxylic acid: structural diversity, bifunctional luminescence sensing and magnetic properties","CrystEngComm","2019","21","38","5767","","10.1039/C9CE00988D","","","0.71073","MoKα","","0.0711","0.0497","","","0.1214","0.1283","","","","","","1.028","","","","has coordinates,has disorder","223254","2020-10-21","18:00:00",""
"7234954","8.3695","0.0003","9.5289","0.0004","10.7213","0.0004","92.4","0.002","94.961","0.002","91.395","0.002","850.76","0.06","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H7 B F4 N S6 -","- C13 H7 B F4 N S6 -","- C26 H14 B2 F8 N2 S12 -","2","1","","Lopes, Gonçalo; Gama, Vasco Pires Silva da; Simão, Dulce; Santos, Isabel Cordeiro; Branco Lopes, Elsa; Pereira, Laura C. J.; Almeida, Manuel; Rabaça, Sandra","Structural relations in (1:1) and (2:1) Cyanobenzene-Ethylenedithio-TTF radical salts; The role of C≡N…H interactions.","CrystEngComm","2019","","","","","10.1039/C9CE01214A","","","0.71073","MoKα","","0.0359","0.0281","","","0.0661","0.0686","","","","","","1.045","","","","has coordinates","223271","2020-10-21","18:00:00",""
"7234955","7.1297","0.0003","11.6789","0.0004","12.491","0.0004","98.522","0.001","92.306","0.001","100.265","0.002","1009.77","0.06","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H14 N6 Ni S16 -","- C34 H14 N6 Ni S16 -","- C34 H14 N6 Ni S16 -","1","0.5","","Lopes, Gonçalo; Gama, Vasco Pires Silva da; Simão, Dulce; Santos, Isabel Cordeiro; Branco Lopes, Elsa; Pereira, Laura C. J.; Almeida, Manuel; Rabaça, Sandra","Structural relations in (1:1) and (2:1) Cyanobenzene-Ethylenedithio-TTF radical salts; The role of C≡N…H interactions.","CrystEngComm","2019","","","","","10.1039/C9CE01214A","","","0.71073","MoKα","","0.0383","0.0298","","","0.0695","0.0725","","","","","","1.026","","","","has coordinates,has disorder","223271","2020-10-21","18:00:00",""
"7234956","8.5243","0.0004","9.529","0.0005","10.5733","0.0005","84.939","0.002","82.003","0.002","84.714","0.002","844.4","0.07","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H7 Cl N O4 S6 -","- C13 H7 Cl N O4 S6 -","- C26 H14 Cl2 N2 O8 S12 -","2","1","","Lopes, Gonçalo; Gama, Vasco Pires Silva da; Simão, Dulce; Santos, Isabel Cordeiro; Branco Lopes, Elsa; Pereira, Laura C. J.; Almeida, Manuel; Rabaça, Sandra","Structural relations in (1:1) and (2:1) Cyanobenzene-Ethylenedithio-TTF radical salts; The role of C≡N…H interactions.","CrystEngComm","2019","","","","","10.1039/C9CE01214A","","","0.71073","MoKα","","0.0472","0.0354","","","0.0874","0.093","","","","","","1.013","","","","has coordinates","223271","2020-10-21","18:00:00",""
"7234957","7.0948","0.0005","11.7077","0.0008","12.6897","0.001","99.134","0.002","91.941","0.004","99.753","0.002","1023.65","0.13","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H14 Au N6 S16 -","- C34 H14 Au N6 S16 -","- C34 H14 Au N6 S16 -","1","0.5","","Lopes, Gonçalo; Gama, Vasco Pires Silva da; Simão, Dulce; Santos, Isabel Cordeiro; Branco Lopes, Elsa; Pereira, Laura C. J.; Almeida, Manuel; Rabaça, Sandra","Structural relations in (1:1) and (2:1) Cyanobenzene-Ethylenedithio-TTF radical salts; The role of C≡N…H interactions.","CrystEngComm","2019","","","","","10.1039/C9CE01214A","","","0.71073","MoKα","","0.0416","0.034","","","0.0697","0.0723","","","","","","1.035","","","","has coordinates,has disorder","223271","2020-10-21","18:00:00",""
"7234958","10.917","0.002","11.636","0.002","13.446","0.003","89.384","0.003","79.203","0.003","84.122","0.003","1668.9","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H26 N4 O11 Zn2 -","- C36 H24 N4 O11 Zn2 -","- C72 H48 N8 O22 Zn4 -","2","1","","Chen, Xiaoli; Cui, Hua-Li; Yang, Hua; Wang, Xiao; Liu, Ling; Ren, Yi Xia; Wang, Ji-Jiang","Reasonable Design, crystal Structure and sensing properties of Series Luminescent MOF Based on the Flexible Tetracarboxylate Ligand and N‑Donor Ligands","CrystEngComm","2019","","","","","10.1039/C9CE01186B","","","0.71073","MoKα","","0.0803","0.0418","","","0.0896","0.0982","","","","","","1.026","","","","has coordinates,has disorder","223272","2020-10-21","18:00:00",""
"7234959","9.9092","0.0015","10.9883","0.0016","12.2949","0.0018","66.678","0.002","70.06","0.002","84.85","0.002","1154.1","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H16 Cd N2 O9 -","- C26 H16 Cd N2 O9 -","- C52 H32 Cd2 N4 O18 -","2","1","","Chen, Xiaoli; Cui, Hua-Li; Yang, Hua; Wang, Xiao; Liu, Ling; Ren, Yi Xia; Wang, Ji-Jiang","Reasonable Design, crystal Structure and sensing properties of Series Luminescent MOF Based on the Flexible Tetracarboxylate Ligand and N‑Donor Ligands","CrystEngComm","2019","","","","","10.1039/C9CE01186B","","","0.71073","MoKα","","0.0294","0.0264","","","0.0892","0.0928","","","","","","0.976","","","","has coordinates,has disorder","223272","2020-10-21","18:00:00",""
"7234960","10.0899","0.0013","19.568","0.003","19.173","0.002","90","","94.124","0.002","90","","3775.7","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H34 Cd2 N4 O11 -","- C40 H34 Cd2 N4 O11 -","- C160 H136 Cd8 N16 O44 -","4","1","","Chen, Xiaoli; Cui, Hua-Li; Yang, Hua; Wang, Xiao; Liu, Ling; Ren, Yi Xia; Wang, Ji-Jiang","Reasonable Design, crystal Structure and sensing properties of Series Luminescent MOF Based on the Flexible Tetracarboxylate Ligand and N‑Donor Ligands","CrystEngComm","2019","","","","","10.1039/C9CE01186B","","","0.71073","MoKα","","0.0402","0.0291","","","0.0662","0.0696","","","","","","0.997","","","","has coordinates","223272","2020-10-21","18:00:00",""
"7234961","10.2873","0.0012","11.9666","0.0014","15.7978","0.0018","71.816","0.002","87.414","0.002","87.665","0.002","1845","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H30 N4 O13 Zn2 -","- C40 H28 N4 O13 Zn2 -","- C80 H56 N8 O26 Zn4 -","2","1","","Chen, Xiaoli; Cui, Hua-Li; Yang, Hua; Wang, Xiao; Liu, Ling; Ren, Yi Xia; Wang, Ji-Jiang","Reasonable Design, crystal Structure and sensing properties of Series Luminescent MOF Based on the Flexible Tetracarboxylate Ligand and N‑Donor Ligands","CrystEngComm","2019","","","","","10.1039/C9CE01186B","","","0.71073","MoKα","","0.0729","0.0475","","","0.1204","0.1297","","","","","","0.959","","","","has coordinates,has disorder","223272","2020-10-21","18:00:00",""
"7234962","11.0786","0.0014","11.1584","0.0015","12.1289","0.0016","110.499","0.002","99.773","0.002","108.381","0.002","1264.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H17 Cd2 N3 O10 -","- C26 H17 Cd2 N3 O10 -","- C52 H34 Cd4 N6 O20 -","2","1","","Chen, Xiaoli; Cui, Hua-Li; Yang, Hua; Wang, Xiao; Liu, Ling; Ren, Yi Xia; Wang, Ji-Jiang","Reasonable Design, crystal Structure and sensing properties of Series Luminescent MOF Based on the Flexible Tetracarboxylate Ligand and N‑Donor Ligands","CrystEngComm","2019","","","","","10.1039/C9CE01186B","","","0.71073","MoKα","","0.0259","0.0224","","","0.0585","0.0601","","","","","","1.065","","","","has coordinates","223272","2020-10-21","18:00:00",""
"7234963","10.7764","0.0008","11.1622","0.0008","17.2141","0.0013","104.681","0.001","99.18","0.001","97.213","0.001","1947.3","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H34 Cd4 O29 -","- C32 H32 Cd4 O29 -","- C64 H64 Cd8 O58 -","2","1","","Chen, Xiaoli; Cui, Hua-Li; Yang, Hua; Wang, Xiao; Liu, Ling; Ren, Yi Xia; Wang, Ji-Jiang","Reasonable Design, crystal Structure and sensing properties of Series Luminescent MOF Based on the Flexible Tetracarboxylate Ligand and N‑Donor Ligands","CrystEngComm","2019","","","","","10.1039/C9CE01186B","","","0.71073","MoKα","","0.0248","0.0225","","","0.056","0.0571","","","","","","1.023","","","","has coordinates,has disorder","223272","2020-10-21","18:00:00",""
"7234964","5.8783","0.0005","10.3023","0.001","10.5662","0.001","71.108","0.011","78.415","0.011","74.975","0.011","579.92","0.1","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H7 Cd N3 S2 -","- C8 H7 Cd N3 S2 -","- C16 H14 Cd2 N6 S4 -","2","1","","Neumann, Tristan; Gallo, Gianpiero; Jess, Inke; Dinnebier, Robert E.; Näther, Christian","Thermodynamically stable and metastable coordination polymers synthesized from solution and the solid state","CrystEngComm","2020","22","2","184","194","10.1039/C9CE01589B","","","0.71073","MoKα","","0.043","0.0359","","","0.0869","0.0906","","","","","","1.003","","","","has coordinates,has disorder","257461","2020-10-21","18:00:00",""
"7234965","20.2576","0.0008","9.3191","0.0003","19.2831","0.0006","90","","116.135","0.002","90","","3268.1","0.2","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 Fe N4 S2 -","- C14 H14 Fe N4 S2 -","- C112 H112 Fe8 N32 S16 -","8","1","","Neumann, Tristan; Gallo, Gianpiero; Jess, Inke; Dinnebier, Robert E.; Näther, Christian","Thermodynamically stable and metastable coordination polymers synthesized from solution and the solid state","CrystEngComm","2020","22","2","184","194","10.1039/C9CE01589B","powder diffraction","x-ray","0.7093","MoKα","","","","","","","","0.0098","","","","","","","","","has coordinates","257461","2020-10-21","18:00:00",""
"7234966","10.2833","0.0006","12.3146","0.0006","7.686","0.0003","90","","103.823","0.004","90","","945.13","0.08","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 Fe N4 O2 S2 -","- C14 H14 Fe N4 O2 S2 -","- C28 H28 Fe2 N8 O4 S4 -","2","0.5","","Neumann, Tristan; Gallo, Gianpiero; Jess, Inke; Dinnebier, Robert E.; Näther, Christian","Thermodynamically stable and metastable coordination polymers synthesized from solution and the solid state","CrystEngComm","2020","22","2","184","194","10.1039/C9CE01589B","powder diffraction","x-ray","0.7093","MoKα","","","","","","","","0.0218","","","","","","","","","has coordinates","257461","2020-10-21","18:00:00",""
"7234967","5.83966","0.00012","17.8924","0.0004","8.63648","0.00018","90","","108.751","0.0015","90","","854.49","0.03","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 Cd N4 S2 -","- C14 H14 Cd N4 S2 -","- C28 H28 Cd2 N8 S4 -","2","0.5","","Neumann, Tristan; Gallo, Gianpiero; Jess, Inke; Dinnebier, Robert E.; Näther, Christian","Thermodynamically stable and metastable coordination polymers synthesized from solution and the solid state","CrystEngComm","2020","22","2","184","194","10.1039/C9CE01589B","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","0.0172","","","","","","","","","has coordinates","257461","2020-10-21","18:00:00",""
"7234968","5.6544","0.0004","10.3052","0.0008","10.4498","0.0007","70.083","0.005","78.969","0.007","75.518","0.004","550.52","0.07","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C8 H7 Fe N3 S2 -","- C8 H4 Fe N3 S2 -","- C16 H8 Fe2 N6 S4 -","2","1","","Neumann, Tristan; Gallo, Gianpiero; Jess, Inke; Dinnebier, Robert E.; Näther, Christian","Thermodynamically stable and metastable coordination polymers synthesized from solution and the solid state","CrystEngComm","2020","22","2","184","194","10.1039/C9CE01589B","powder diffraction","x-ray","0.7093","MoKα","","","","","","","","0.0146","","","","","","","","","has coordinates","257461","2020-10-21","18:00:00",""
"7234969","27.693","0.003","27.693","0.003","11.1885","0.001","90","","90","","120","","7430.9","1.3","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C26 H28 Fe N6 S2 -","- C26 H28 Fe N6 S2 -","- C234 H252 Fe9 N54 S18 -","9","0.5","","Neumann, Tristan; Gallo, Gianpiero; Jess, Inke; Dinnebier, Robert E.; Näther, Christian","Thermodynamically stable and metastable coordination polymers synthesized from solution and the solid state","CrystEngComm","2020","22","2","184","194","10.1039/C9CE01589B","","","0.71073","MoKα","","0.1073","0.0676","","","0.1526","0.171","","","","","","1.04","","","","has coordinates","257461","2020-10-21","18:00:00",""
"7234970","11.2219","0.0019","17.954","0.002","9.0559","0.0014","90","","112.725","0.007","90","","1682.9","0.4","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Fe N4 S2 -","- C14 H14 Fe N4 S2 -","- C56 H56 Fe4 N16 S8 -","4","1","","Neumann, Tristan; Gallo, Gianpiero; Jess, Inke; Dinnebier, Robert E.; Näther, Christian","Thermodynamically stable and metastable coordination polymers synthesized from solution and the solid state","CrystEngComm","2020","22","2","184","194","10.1039/C9CE01589B","powder diffraction","x-ray","0.7093","MoKα","","","","","","","","0.0101","","","","","","","","","has coordinates","257461","2020-10-21","18:00:00",""
"7235001","11.1391","0.0003","15.8666","0.0004","17.4481","0.0005","90","","106.734","0.0012","90","","2953.18","0.14","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 Cd N4 O8 -","- C30 H28 Cd N4 O8 -","- C120 H112 Cd4 N16 O32 -","4","1","","Yang, Xiang-Kai; Chen, Jhy-Der","Crystal-to-Crystal Transformation and Linker Exchange in Cd(II) Coordination Polymers Based on Flexible Bis-pyridyl-bis-amide and 1,4-Naphthalenedicarboxylate","CrystEngComm","2019","","","","","10.1039/C9CE01332F","","","0.71073","MoKα","","0.0499","0.0419","","","0.111","0.1181","","","","","","1.047","","","","has coordinates,has disorder","225371","2020-10-21","18:00:00",""
"7235002","10.1473","0.0002","20.5033","0.0003","15.2045","0.0002","90","","93.378","0.0006","90","","3157.85","0.09","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H36 Cd N4 O8 -","- C32 H34 Cd N4 O8 -","- C128 H136 Cd4 N16 O32 -","4","1","","Yang, Xiang-Kai; Chen, Jhy-Der","Crystal-to-Crystal Transformation and Linker Exchange in Cd(II) Coordination Polymers Based on Flexible Bis-pyridyl-bis-amide and 1,4-Naphthalenedicarboxylate","CrystEngComm","2019","","","","","10.1039/C9CE01332F","","","0.71073","MoKα","","0.0363","0.0311","","","0.0863","0.0901","","","","","","1.037","","","","has coordinates,has disorder","225371","2020-10-21","18:00:00",""
"7235003","9.1676","0.0003","19.6407","0.0005","26.0274","0.0007","90","","94.9992","0.0009","90","","4668.6","0.2","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H44 Cd2 N4 O13 -","- C44 H38 Cd2 N4 O13 -","- C176 H152 Cd8 N16 O52 -","4","1","","Yang, Xiang-Kai; Chen, Jhy-Der","Crystal-to-Crystal Transformation and Linker Exchange in Cd(II) Coordination Polymers Based on Flexible Bis-pyridyl-bis-amide and 1,4-Naphthalenedicarboxylate","CrystEngComm","2019","","","","","10.1039/C9CE01332F","","","0.71073","MoKα","","0.0643","0.0488","","","0.1164","0.1238","","","","","","1.159","","","","has coordinates,has disorder","225371","2020-10-21","18:00:00",""
"7235005","9.4804","0.0011","10.7188","0.0011","14.0027","0.0015","72.559","0.005","82.036","0.006","78.107","0.006","1323.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H30 Cu N4 O9 -","- C26 H30 Cu N4 O9 -","- C52 H60 Cu2 N8 O18 -","2","1","","Bravo, Catarina; Galego, Filipa; Andre, Vania","Hydrogen bonding networks of Nalidixic acid-Copper(II) complexes","CrystEngComm","2019","","","","","10.1039/C9CE01057B","","","0.71069","MoKα","","0.1431","0.0626","","","0.1458","0.1899","","","","","","1.038","","","","has coordinates","225611","2020-10-21","18:00:00",""
"7235006","7.9957","0.0009","12.0271","0.0011","12.697","0.0014","94.074","0.005","97.486","0.006","108.309","0.005","1141.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H21 Cu N5 O7 -","- C24 H21 Cu N5 O7 -","- C48 H42 Cu2 N10 O14 -","2","1","","Bravo, Catarina; Galego, Filipa; Andre, Vania","Hydrogen bonding networks of Nalidixic acid-Copper(II) complexes","CrystEngComm","2019","","","","","10.1039/C9CE01057B","","","0.71069","MoKα","","0.091","0.0497","","","0.1168","0.1437","","","","","","1.04","","","","has coordinates","225611","2020-10-21","18:00:00",""
"7235007","8.2633","0.0005","7.4357","0.0004","19.1577","0.0012","90","","99.821","0.002","90","","1159.86","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 Cu0.5 N2 O4 -","- C12 H13 Cu0.5 N2 O4 -","- C48 H52 Cu2 N8 O16 -","4","1","","Bravo, Catarina; Galego, Filipa; Andre, Vania","Hydrogen bonding networks of Nalidixic acid-Copper(II) complexes","CrystEngComm","2019","","","","","10.1039/C9CE01057B","","","0.71069","MoKα","","0.0794","0.0484","","","0.1114","0.1277","","","","","","1.074","","","","has coordinates","225611","2020-10-21","18:00:00",""
"7235008","9.069","0.006","12.511","0.01","12.708","0.009","116.23","0.06","91.24","0.06","97.94","0.06","1275.4","1.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H54 Cl2 Cu2 N8 O14 -","- C48 H54 Cl2 Cu2 N8 O14 -","- C48 H54 Cl2 Cu2 N8 O14 -","1","0.5","","Bravo, Catarina; Galego, Filipa; Andre, Vania","Hydrogen bonding networks of Nalidixic acid-Copper(II) complexes","CrystEngComm","2019","","","","","10.1039/C9CE01057B","","","0.71069","MoKα","","0.2057","0.0799","","","0.1897","0.2632","","","","","","1.024","","","","has coordinates","225611","2020-10-21","18:00:00",""
"7235009","8.998","0.003","19.758","0.005","12.654","0.004","90","","98.021","0.009","90","","2227.7","1.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H42 Cl2 Cu2 N8 O8 -","- C24 H21 Cl Cu N4 O4 -","- C96 H84 Cl4 Cu4 N16 O16 -","4","1","","Bravo, Catarina; Galego, Filipa; Andre, Vania","Hydrogen bonding networks of Nalidixic acid-Copper(II) complexes","CrystEngComm","2019","","","","","10.1039/C9CE01057B","","","0.71069","MoKα","","0.166","0.0685","","","0.1543","0.2084","","","","","","1.02","","","","has coordinates","225611","2020-10-21","18:00:00",""
"7235010","9.3667","0.0007","9.5064","0.0007","15.1076","0.0011","84.047","0.002","75.365","0.002","79.476","0.002","1277.35","0.16","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H28 Cu N4 O4 Pb S2 -","- C23 H28 Cu N4 O4 Pb S2 -","- C46 H56 Cu2 N8 O8 Pb2 S4 -","2","1","","Mirdya, Saikat; Banerjee, Snehasis; Chattopadhyay, Shouvik","An insight into the non-covalent Pb⋯S and S⋯S interactions in the solid-state structure of a hemidirected lead(ii) complex","CrystEngComm","2020","22","2","237","247","10.1039/C9CE01548E","","","0.71073","MoKα","","0.0287","0.0258","","","0.0638","0.0652","","","","","","1.076","","","","has coordinates","257463","2020-10-21","18:00:00",""
"7235070","5.7721","0.0007","12.3373","0.0015","24.977","0.003","90","","90","","90","","1778.7","0.4","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 Cl N3 O4 -","- C18 H20 Cl N3 O4 -","- C72 H80 Cl4 N12 O16 -","4","1","","Surov, Artem O.; Voronin, Alexander P.; Vener, Mikhail V.; Churakov, Andrei V.; Perlovich, German L.","Specific features of supramolecular organisation and hydrogen bonding in proline cocrystals: a case study of fenamates and diclofenac","CrystEngComm","2018","20","43","6970","","10.1039/C8CE01458B","","","0.71073","MoKα","","0.0319","0.0275","","","0.0626","0.0648","","","","","","1.045","","","","has coordinates","227779","2020-10-21","18:00:00",""
"7235071","11.8073","0.0017","5.8122","0.0008","13.3488","0.0019","90","","97.844","0.002","90","","907.5","0.2","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H18 F3 N3 O4 -","- C18 H18 F3 N3 O4 -","- C36 H36 F6 N6 O8 -","2","1","","Surov, Artem O.; Voronin, Alexander P.; Vener, Mikhail V.; Churakov, Andrei V.; Perlovich, German L.","Specific features of supramolecular organisation and hydrogen bonding in proline cocrystals: a case study of fenamates and diclofenac","CrystEngComm","2018","20","43","6970","","10.1039/C8CE01458B","","","0.71073","MoKα","","0.0568","0.0514","","","0.1364","0.1409","","","","","","1.062","","","","has coordinates,has disorder","227779","2020-10-21","18:00:00",""
"7235072","9.2716","0.0009","5.2277","0.0005","20.3473","0.0019","90","","102.235","0.001","90","","963.82","0.16","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H20 Cl2 N2 O4 -","- C19 H20 Cl2 N2 O4 -","- C38 H40 Cl4 N4 O8 -","2","1","","Surov, Artem O.; Voronin, Alexander P.; Vener, Mikhail V.; Churakov, Andrei V.; Perlovich, German L.","Specific features of supramolecular organisation and hydrogen bonding in proline cocrystals: a case study of fenamates and diclofenac","CrystEngComm","2018","20","43","6970","","10.1039/C8CE01458B","","","0.71073","MoKα","","0.0307","0.0278","","","0.065","0.0667","","","","","","1.045","","","","has coordinates,has disorder","227779","2020-10-21","18:00:00",""
"7235073","13.97927","0.00015","8.5583","0.0001","14.15242","0.00018","90","","94.8011","0.0006","90","","1687.24","0.03","298","2","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Strontium Samarium Germanate","Tristrontium Bidysprosium Bisilicate","","- Ge6 O18 Sm2 Sr3 -","- Ge6 O18 Sm2.0007 Sr2.9993 -","- Ge24 O72 Sm8.0028 Sr11.9972 -","4","0.5","","Chufarov, Alexander Yu.; Lipina, Olga A.; Surat, Ludmila L.; Melkozerova, Marina A.; Baklanova, Yana V.; Enyashin, Andrey N.; Tyutyunnik, Alexander P.; Kellerman, Dina G.; Zubkov, Vladimir G.","Structure, magnetic and optical properties of Sr3RE2(Ge3O9)2 cyclogermanates (RE = La‒Gd)","CrystEngComm","2018","20","17","2404","","10.1039/C8CE00005K","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","0.02579","","1.56","","","","","","","has coordinates","227782","2020-10-21","18:00:00",""
"7235074","14.13472","0.00007","8.1969","0.00005","15.59089","0.0001","90","","90.9492","0.0005","90","","1806.13","0.018","298","2","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Strontium Praseodymium Germanate","Tristrontium Bidysprosium Bisilicate","","- Ge6 O18 Pr2 Sr3 -","- Ge6 O18 Pr2.0014 Sr2.9986 -","- Ge24 O72 Pr8.0056 Sr11.9944 -","4","0.5","","Chufarov, Alexander Yu.; Lipina, Olga A.; Surat, Ludmila L.; Melkozerova, Marina A.; Baklanova, Yana V.; Enyashin, Andrey N.; Tyutyunnik, Alexander P.; Kellerman, Dina G.; Zubkov, Vladimir G.","Structure, magnetic and optical properties of Sr3RE2(Ge3O9)2 cyclogermanates (RE = La‒Gd)","CrystEngComm","2018","20","17","2404","","10.1039/C8CE00005K","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","0.02287","","1.93","","","","","","","has coordinates","227783","2020-10-21","18:00:00",""
"7235075","13.95607","0.00019","8.56647","0.00013","14.03679","0.00023","90","","95.1018","0.0008","90","","1671.51","0.04","298","2","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Strontium Gadolinium Germanate","Tristrontium Bidysprosium Bisilicate","","- Gd2 Ge6 O18 Sr3 -","- Gd1.9996 Ge6 O18 Sr3.0004 -","- Gd7.9984 Ge24 O72 Sr12.0016 -","4","0.5","","Chufarov, Alexander Yu.; Lipina, Olga A.; Surat, Ludmila L.; Melkozerova, Marina A.; Baklanova, Yana V.; Enyashin, Andrey N.; Tyutyunnik, Alexander P.; Kellerman, Dina G.; Zubkov, Vladimir G.","Structure, magnetic and optical properties of Sr3RE2(Ge3O9)2 cyclogermanates (RE = La‒Gd)","CrystEngComm","2018","20","17","2404","","10.1039/C8CE00005K","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","0.03421","","1.95","","","","","","","has coordinates","227785","2020-10-21","18:00:00",""
"7235076","14.18247","0.00008","8.24753","0.00005","15.65517","0.0001","90","","90.6279","0.0004","90","","1831.08","0.019","298","2","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Strontium Lanthanum Germanate","","","- Ge6 La2 O18 Sr3 -","- Ge6 La2.001 O18 Sr2.999 -","- Ge24 La8.004 O72 Sr11.996 -","4","0.5","","Chufarov, Alexander Yu.; Lipina, Olga A.; Surat, Ludmila L.; Melkozerova, Marina A.; Baklanova, Yana V.; Enyashin, Andrey N.; Tyutyunnik, Alexander P.; Kellerman, Dina G.; Zubkov, Vladimir G.","Structure, magnetic and optical properties of Sr3RE2(Ge3O9)2 cyclogermanates (RE = La‒Gd)","CrystEngComm","2018","20","17","2404","","10.1039/C8CE00005K","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","0.02564","","1.43","","","","","","","has coordinates","227786","2020-10-21","18:00:00",""
"7235077","13.97546","0.00022","8.56246","0.00015","14.08676","0.00027","90","","94.9703","0.0009","90","","1679.34","0.05","298","2","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Strontium Europium Germanate","Tristrontium Bidysprosium Bisilicate","","- Eu2 Ge6 O18 Sr3 -","- Eu2 Ge6 O18 Sr3 -","- Eu8 Ge24 O72 Sr12 -","4","0.5","","Chufarov, Alexander Yu.; Lipina, Olga A.; Surat, Ludmila L.; Melkozerova, Marina A.; Baklanova, Yana V.; Enyashin, Andrey N.; Tyutyunnik, Alexander P.; Kellerman, Dina G.; Zubkov, Vladimir G.","Structure, magnetic and optical properties of Sr3RE2(Ge3O9)2 cyclogermanates (RE = La‒Gd)","CrystEngComm","2018","20","17","2404","","10.1039/C8CE00005K","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","0.03945","","2.03","","","","","","","has coordinates","227787","2020-10-21","18:00:00",""
"7235078","14.514","0.001","4.8442","0.0019","19.19","0.006","90","","120.54","0.02","90","","1162.1","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H16 N8 Zn -","- C32 H16 N8 Zn -","- C64 H32 N16 Zn2 -","2","0.5","","Li, Dapeng; Ge, Suxiang; Yuan, Tianci; Gong, Jingjing; Huang, Baojun; Tie, Weiwei; He, Weiwei","Green synthesis and characterization of crystalline zinc phthalocyanine and cobalt phthalocyanine prisms by a simple solvothermal route","CrystEngComm","2018","20","19","2749","","10.1039/C8CE00215K","","","0.71073","MoKα","","0.0598","0.0402","","","0.0778","0.0837","","","","","","1.047","","","","has coordinates","227791","2020-10-21","18:00:00",""
"7235079","5.9014","0.0004","9.2693","0.0007","9.5123","0.0007","85.902","0.004","77.676","0.005","85.588","0.006","506.03","0.06","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C5 Li N O6 P2 -","- C5 Li N O6 P2 -","- C10 Li2 N2 O12 P4 -","2","1","","Salcedo, Inés R.; Colodrero, Rosario M. P.; Bazaga-García, Montse; Vasileiou, Antonia; Papadaki, Maria; Olivera-Pastor, Pascual; Infantes-Molina, Antonia; Losilla, Enrique R.; Mezei, Gellert; Cabeza, Aurelio; Demadis, Konstantinos D.","From light to heavy alkali metal tetraphosphonates (M = Li, Na, K, Rb, Cs): cation size-induced structural diversity and water-facilitated proton conductivity","CrystEngComm","2018","20","47","7648","","10.1039/C8CE01351A","powder diffraction","x-ray","0.18972","","","","","","","","","0.06962","","12.37","","","","","","","has coordinates","227792","2020-10-21","18:00:00",""
"7235080","7.7178","0.0001","33.0373","0.0004","11.7577","0.0001","90","","103.709","0.001","90","","2912.52","0.06","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H42 K2 N2 O20 P4 -","- C10 H42 K2 N2 O20 P4 -","- C40 H168 K8 N8 O80 P16 -","4","1","","Salcedo, Inés R.; Colodrero, Rosario M. P.; Bazaga-García, Montse; Vasileiou, Antonia; Papadaki, Maria; Olivera-Pastor, Pascual; Infantes-Molina, Antonia; Losilla, Enrique R.; Mezei, Gellert; Cabeza, Aurelio; Demadis, Konstantinos D.","From light to heavy alkali metal tetraphosphonates (M = Li, Na, K, Rb, Cs): cation size-induced structural diversity and water-facilitated proton conductivity","CrystEngComm","2018","20","47","7648","","10.1039/C8CE01351A","","","0.71073","MoKα","","0.0393","0.0287","","","0.0666","0.0714","","","","","","1.036","","","","has coordinates","227792","2020-10-21","18:00:00",""
"7235081","5.9728","0.0006","9.4557","0.0009","11.0182","0.0011","74.418","0.007","76.17","0.007","84.313","0.007","581.62","0.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H34 Li2 N2 O16 P4 -","- C10 H34 Li2 N2 O16 P4 -","- C10 H34 Li2 N2 O16 P4 -","1","0.5","","Salcedo, Inés R.; Colodrero, Rosario M. P.; Bazaga-García, Montse; Vasileiou, Antonia; Papadaki, Maria; Olivera-Pastor, Pascual; Infantes-Molina, Antonia; Losilla, Enrique R.; Mezei, Gellert; Cabeza, Aurelio; Demadis, Konstantinos D.","From light to heavy alkali metal tetraphosphonates (M = Li, Na, K, Rb, Cs): cation size-induced structural diversity and water-facilitated proton conductivity","CrystEngComm","2018","20","47","7648","","10.1039/C8CE01351A","","","0.71073","MoKα","","0.0903","0.0578","","","0.1399","0.1596","","","","","","0.985","","","","has coordinates","227792","2020-10-21","18:00:00",""
"7235082","7.6682","0.0001","11.5335","0.0001","18.0768","0.0002","97.378","0.001","94.792","0.001","101.705","0.001","1542.61","0.03","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H48 N2 Na2 O23 P4 -","- C10 H48 N2 Na2 O23 P4 -","- C20 H96 N4 Na4 O46 P8 -","2","1","","Salcedo, Inés R.; Colodrero, Rosario M. P.; Bazaga-García, Montse; Vasileiou, Antonia; Papadaki, Maria; Olivera-Pastor, Pascual; Infantes-Molina, Antonia; Losilla, Enrique R.; Mezei, Gellert; Cabeza, Aurelio; Demadis, Konstantinos D.","From light to heavy alkali metal tetraphosphonates (M = Li, Na, K, Rb, Cs): cation size-induced structural diversity and water-facilitated proton conductivity","CrystEngComm","2018","20","47","7648","","10.1039/C8CE01351A","","","0.71073","MoKα","","0.0527","0.0368","","","0.0905","0.0981","","","","","","1.052","","","","has coordinates","227792","2020-10-21","18:00:00",""
"7235083","6.1431","0.0001","14.1093","0.0002","28.9515","0.0004","90","","94.016","0.001","90","","2503.2","0.06","297","2","297","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H35 N2 O16 P4 Rb -","- C10 H35 N2 O16 P4 Rb -","- C40 H140 N8 O64 P16 Rb4 -","4","0.5","","Salcedo, Inés R.; Colodrero, Rosario M. P.; Bazaga-García, Montse; Vasileiou, Antonia; Papadaki, Maria; Olivera-Pastor, Pascual; Infantes-Molina, Antonia; Losilla, Enrique R.; Mezei, Gellert; Cabeza, Aurelio; Demadis, Konstantinos D.","From light to heavy alkali metal tetraphosphonates (M = Li, Na, K, Rb, Cs): cation size-induced structural diversity and water-facilitated proton conductivity","CrystEngComm","2018","20","47","7648","","10.1039/C8CE01351A","","","0.71073","MoKα","","0.0436","0.0328","","","0.0791","0.0838","","","","","","1.039","","","","has coordinates,has disorder","227792","2020-10-21","18:00:00",""
"7235084","6.0072","0.0002","7.6864","0.0002","14.825","0.0004","86.677","0.002","78.906","0.002","67.611","0.002","621.01","0.03","297","2","297","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H35 Cs N2 O16 P4 -","- C10 H35 Cs N2 O16 P4 -","- C10 H35 Cs N2 O16 P4 -","1","0.5","","Salcedo, Inés R.; Colodrero, Rosario M. P.; Bazaga-García, Montse; Vasileiou, Antonia; Papadaki, Maria; Olivera-Pastor, Pascual; Infantes-Molina, Antonia; Losilla, Enrique R.; Mezei, Gellert; Cabeza, Aurelio; Demadis, Konstantinos D.","From light to heavy alkali metal tetraphosphonates (M = Li, Na, K, Rb, Cs): cation size-induced structural diversity and water-facilitated proton conductivity","CrystEngComm","2018","20","47","7648","","10.1039/C8CE01351A","","","0.71073","MoKα","","0.058","0.0344","","","0.0676","0.0759","","","","","","1.024","","","","has coordinates,has disorder","227792","2020-10-21","18:00:00",""
"7235085","13.7405","0.0007","10.3343","0.0006","12.1024","0.0007","90","","90","","90","","1718.52","0.17","293","2","293","2","","","","","","","","6","P b a m","-P 2 2ab","55","","[Tetrakis(mu-adenine-kN3:kN9)bis(chlorido)dicopper(II)]chloride- water (1/8)]","","- C20 H36 Cl4 Cu2 N20 O8 -","- C20 H20 Cl4 Cu2 N20 O7.9998 -","- C40 H40 Cl8 Cu4 N40 O15.9996 -","2","0.25","","Thomas-Gipson, Jintha; Beobide, Garikoitz; Castillo, Oscar; Luque, Antonio; Pascual-Colino, Jon; Pérez-Yáñez, Sonia; Román, Pascual","Providing evidence for the requirements to achieve supramolecular materials based on metal‒nucleobase entities","CrystEngComm","2018","20","18","2528","","10.1039/C8CE00141C","","","0.71073","MoKα","","0.1138","0.0521","","","0.1039","0.1118","","","","","","0.915","","","","has coordinates,has disorder","227793","2020-10-21","18:00:00",""
"7235086","10.6365","0.0002","13.2099","0.0001","7.3378","0.0001","90","","110.057","0.002","90","","968.48","0.03","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[tetraaquabis(6-chloropurinato-kN9)cobalt(II)] dihydrate","","- C10 H20 Cl2 Co N8 O8 -","- C10 H20 Cl2 Co N8 O8 -","- C20 H40 Cl4 Co2 N16 O16 -","2","0.5","","Thomas-Gipson, Jintha; Beobide, Garikoitz; Castillo, Oscar; Luque, Antonio; Pascual-Colino, Jon; Pérez-Yáñez, Sonia; Román, Pascual","Providing evidence for the requirements to achieve supramolecular materials based on metal‒nucleobase entities","CrystEngComm","2018","20","18","2528","","10.1039/C8CE00141C","","","0.71073","MoKα","","0.0276","0.025","","","0.0602","0.0617","","","","","","1.075","","","","has coordinates","227793","2020-10-21","18:00:00",""
"7235087","7.8461","0.0005","8.759","0.0005","13.1716","0.0008","79.157","0.005","77.23","0.005","78.526","0.005","855.28","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","bis(guanine-KN9)bis(guaninium-KN9)bis(mu-chlorido)bis(chlorido)aquadicopper(II)tetrachloridocuprate(II)","","- C20 H24 Cl8 Cu3 N20 O5 -","- C20 H22 Cl8 Cu3 N20 O5 -","- C20 H22 Cl8 Cu3 N20 O5 -","1","0.5","","Thomas-Gipson, Jintha; Beobide, Garikoitz; Castillo, Oscar; Luque, Antonio; Pascual-Colino, Jon; Pérez-Yáñez, Sonia; Román, Pascual","Providing evidence for the requirements to achieve supramolecular materials based on metal‒nucleobase entities","CrystEngComm","2018","20","18","2528","","10.1039/C8CE00141C","","","1.54184","CuKα","","0.0744","0.056","","","0.1487","0.1629","","","","","","1.05","","","","has coordinates,has disorder","227793","2020-10-21","18:00:00",""
"7235088","11.388","0.0014","6.7307","0.0007","14.9009","0.0019","90","","109.96","0.014","90","","1073.5","0.2","100","2","100","2","","","","","","","","6","I 1 2/m 1","-I 2y","12","","[tetraaquabis(9-methyladenine-kN7)cobalt(II)] chloride dihydrate","","- C12 H26 Cl2 Co N10 O6 -","- C12 H26 Cl2 Co N10 O6 -","- C24 H52 Cl4 Co2 N20 O12 -","2","0.25","","Thomas-Gipson, Jintha; Beobide, Garikoitz; Castillo, Oscar; Luque, Antonio; Pascual-Colino, Jon; Pérez-Yáñez, Sonia; Román, Pascual","Providing evidence for the requirements to achieve supramolecular materials based on metal‒nucleobase entities","CrystEngComm","2018","20","18","2528","","10.1039/C8CE00141C","","","0.71073","MoKα","","0.0287","0.026","","","0.06","0.0618","","","","","","1.07","","","","has coordinates","227793","2020-10-21","18:00:00",""
"7235089","7.203","0.002","9.52","0.003","9.659","0.004","82.49","0.02","69.47","0.02","77.59","0.04","604.7","0.4","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","(mu-adenine-1kN3:3kN9)(mu-adenine-2kN3:3kN9)bis(mu-chlorido-1kCl:3kCl)bis(mu-chlorido-2kCl:3kCl)di(chlorido-1kCl,2kCl)tetra(aqua-1k2O,2k2O)tricobalt(II)dihydrate","","- C10 H22 Cl6 Co3 N10 O6 -","- C10 H22 Cl6 Co3 N10 O6 -","- C10 H22 Cl6 Co3 N10 O6 -","1","0.5","","Thomas-Gipson, Jintha; Beobide, Garikoitz; Castillo, Oscar; Luque, Antonio; Pascual-Colino, Jon; Pérez-Yáñez, Sonia; Román, Pascual","Providing evidence for the requirements to achieve supramolecular materials based on metal‒nucleobase entities","CrystEngComm","2018","20","18","2528","","10.1039/C8CE00141C","","","0.71073","MoKα","","0.0388","0.0288","","","0.0666","0.0681","","","","","","0.96","","","","has coordinates","227793","2020-10-21","18:00:00",""
"7235090","7.3349","0.0008","8.5513","0.0008","16.8119","0.0012","94.649","0.007","93.046","0.007","99.041","0.008","1035.64","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","catena-poly[tetrakis(mu-acetato-kO:kO')(mu-9-methyladenine-kN1:kN7)dicopper(II)].methanol (1/1)","","- C15 H23 Cu2 N5 O9 -","- C15 H23 Cu2 N5 O9 -","- C30 H46 Cu4 N10 O18 -","2","1","","Thomas-Gipson, Jintha; Beobide, Garikoitz; Castillo, Oscar; Luque, Antonio; Pascual-Colino, Jon; Pérez-Yáñez, Sonia; Román, Pascual","Providing evidence for the requirements to achieve supramolecular materials based on metal‒nucleobase entities","CrystEngComm","2018","20","18","2528","","10.1039/C8CE00141C","","","0.71073","MoKα","","0.1019","0.0635","","","0.108","0.1231","","","","","","1.083","","","","has coordinates","227793","2020-10-21","18:00:00",""
"7235091","5.9273","0.0002","8.7713","0.0005","28.0747","0.0015","90","","90","","90","","1459.61","0.12","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","S-naproxen ethanol solvate","(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid; ethanol","","- C16 H20 O4 -","- C16 H20 O4 -","- C64 H80 O16 -","4","1","","Tumanova, Natalia; Tumanov, Nikolay; Fischer, Franziska; Morelle, Fabrice; Ban, Voraksmy; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Emmerling, Franziska; Leyssens, Tom","Exploring polymorphism and stoichiometric diversity in naproxen/proline cocrystals","CrystEngComm","2018","20","45","7308","","10.1039/C8CE01338A","","","0.71073","MoKα","","0.0513","0.0424","","","0.1029","0.1103","","","","","","1.099","","","","has coordinates","227795","2020-10-21","18:00:00",""
"7235092","5.84172","0.00009","8.98394","0.00013","45.6816","0.0008","90","","90","","90","","2397.45","0.07","407","","407","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","RS-naproxen L-proline 1:2 cocrystal","(2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid;(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid;tetrakis((2S)-pyrrolidine-2-carboxylic acid);","","- C24 H32 N2 O7 -","- C24 H32 N2 O7 -","- C96 H128 N8 O28 -","4","1","","Tumanova, Natalia; Tumanov, Nikolay; Fischer, Franziska; Morelle, Fabrice; Ban, Voraksmy; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Emmerling, Franziska; Leyssens, Tom","Exploring polymorphism and stoichiometric diversity in naproxen/proline cocrystals","CrystEngComm","2018","20","45","7308","","10.1039/C8CE01338A","powder diffraction","","0.708","synchrotron","","","","","","","","","4.228","4.12","","","","","","","has coordinates","227795","2020-10-21","18:00:00",""
"7235093","12.9532","0.0004","5.76337","0.00015","25.2764","0.0006","90","","93.984","0.003","90","","1882.43","0.09","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","1:1 RS-naproxen D-proline cocrystal methanol solvate","(2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid; bis((2R)-pyrrolidine-2-carboxylic acid); (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid; methanol","","- C39 H50 N2 O11 -","- C39 H50 N2 O11 -","- C78 H100 N4 O22 -","2","1","","Tumanova, Natalia; Tumanov, Nikolay; Fischer, Franziska; Morelle, Fabrice; Ban, Voraksmy; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Emmerling, Franziska; Leyssens, Tom","Exploring polymorphism and stoichiometric diversity in naproxen/proline cocrystals","CrystEngComm","2018","20","45","7308","","10.1039/C8CE01338A","","","1.54184","CuKα","","0.0593","0.0514","","","0.1428","0.1532","","","","","","1.04","","","","has coordinates,has disorder","227795","2020-10-21","18:00:00",""
"7235094","34.537","0.004","9.0077","0.0008","5.7183","0.0005","90","","90","","90","","1779","0.3","428","","428","","","","","","","","","4","P n a 21","P 2c -2n","33","RS-naproxen DL-proline 1:1 cocrystal, polymorph II","(2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid (2R)-pyrrolidin-1-ium-2-carboxylate (2S)-pyrrolidin-1-ium-2-carboxylate, polymorph II","","- C19 H23 N O5 -","- C19 H23 N O5 -","- C76 H92 N4 O20 -","4","1","","Tumanova, Natalia; Tumanov, Nikolay; Fischer, Franziska; Morelle, Fabrice; Ban, Voraksmy; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Emmerling, Franziska; Leyssens, Tom","Exploring polymorphism and stoichiometric diversity in naproxen/proline cocrystals","CrystEngComm","2018","20","45","7308","","10.1039/C8CE01338A","powder diffraction","","0.78487","synchrotron","","","","","","","","","8.76","72.47","","","","","","","has coordinates","227795","2020-10-21","18:00:00",""
"7235095","8.84337","0.00019","5.8351","0.00015","33.6766","0.0007","90","","91.9839","0.0019","90","","1736.74","0.07","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","S-naproxen DL-proline 1:1 cocrystal","bis((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid) 2R)-pyrrolidin-1-ium-2-carboxylate 2S)-pyrrolidin-1-ium-2-carboxylate","","- C38 H46 N2 O10 -","- C38 H46 N2 O10 -","- C76 H92 N4 O20 -","2","1","","Tumanova, Natalia; Tumanov, Nikolay; Fischer, Franziska; Morelle, Fabrice; Ban, Voraksmy; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Emmerling, Franziska; Leyssens, Tom","Exploring polymorphism and stoichiometric diversity in naproxen/proline cocrystals","CrystEngComm","2018","20","45","7308","","10.1039/C8CE01338A","","","1.54184","CuKα","","0.052","0.0474","","","0.127","0.1336","","","","","","1.035","","","","has coordinates","227795","2020-10-21","18:00:00",""
"7235096","5.8836","0.0007","9.0952","0.0018","44.047","0.01","90","","90","","90","","2357.1","0.8","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","S-naproxen DL-proline 1:2 cocrystal","(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid (2R)-pyrrolidin-1-ium-2-carboxylate (2S)-pyrrolidin-1-ium-2-carboxylate","","- C24 H32 N2 O7 -","- C24 H32 N2 O7 -","- C96 H128 N8 O28 -","4","1","","Tumanova, Natalia; Tumanov, Nikolay; Fischer, Franziska; Morelle, Fabrice; Ban, Voraksmy; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Emmerling, Franziska; Leyssens, Tom","Exploring polymorphism and stoichiometric diversity in naproxen/proline cocrystals","CrystEngComm","2018","20","45","7308","","10.1039/C8CE01338A","","","1.54184","CuKα","","0.1036","0.0607","","","0.122","0.1475","","","","","","0.979","","","","has coordinates,has disorder","227795","2020-10-21","18:00:00",""
"7235097","5.7018","0.0001","18.8609","0.0003","37.2392","0.0005","90","","90","","90","","4004.74","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","S-naproxen L-proline 2:3 cocrystal","bis((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid) tris((2S)-pyrrolidin-1-ium-2-carboxylate)","","- C43 H55 N3 O12 -","- C43 H55 N3 O12 -","- C172 H220 N12 O48 -","4","1","","Tumanova, Natalia; Tumanov, Nikolay; Fischer, Franziska; Morelle, Fabrice; Ban, Voraksmy; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Emmerling, Franziska; Leyssens, Tom","Exploring polymorphism and stoichiometric diversity in naproxen/proline cocrystals","CrystEngComm","2018","20","45","7308","","10.1039/C8CE01338A","","","0.82656","synchrotron","","0.0937","0.0642","","","0.1443","0.1729","","","","","","0.954","","","","has coordinates","227795","2020-10-21","18:00:00",""
"7235098","6.06468","0.00013","12.2629","0.0003","50.629","0.0015","90","","90","","90","","3765.31","0.17","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1:1 S-naproxen DL-proline cocrystal hydrate","bis((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid); (2R)-pyrrolidin-1-ium-2-carboxylate; (2S)-pyrrolidin-1-ium-2-carboxylate; water","","- C38 H50 N2 O12 -","- C38 H50 N2 O12 -","- C152 H200 N8 O48 -","4","1","","Tumanova, Natalia; Tumanov, Nikolay; Fischer, Franziska; Morelle, Fabrice; Ban, Voraksmy; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Emmerling, Franziska; Leyssens, Tom","Exploring polymorphism and stoichiometric diversity in naproxen/proline cocrystals","CrystEngComm","2018","20","45","7308","","10.1039/C8CE01338A","powder diffraction","","0.798","synchrotron","","","","","","","","","2.59","22.67","","","","","","","has coordinates","227795","2020-10-21","18:00:00",""
"7235099","5.8816","0.00007","8.79809","0.0001","45.4679","0.0005","90","","90","","90","","2352.82","0.05","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","S-naproxen L-proline 1:2 cocrystal","(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid bis((2S)-pyrrolidin-1-ium-2-carboxylate)","","- C24 H32 N2 O7 -","- C24 H32 N2 O7 -","- C96 H128 N8 O28 -","4","1","","Tumanova, Natalia; Tumanov, Nikolay; Fischer, Franziska; Morelle, Fabrice; Ban, Voraksmy; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Emmerling, Franziska; Leyssens, Tom","Exploring polymorphism and stoichiometric diversity in naproxen/proline cocrystals","CrystEngComm","2018","20","45","7308","","10.1039/C8CE01338A","","","1.54184","CuKα","","0.0415","0.0404","","","0.1094","0.111","","","","","","1.034","","","","has coordinates","227795","2020-10-21","18:00:00",""
"7235100","16.2991","0.0007","5.8654","0.0003","18.6876","0.0009","90","","100.052","0.004","90","","1759.12","0.15","295","","295","","","","","","","","","4","P 1 21 1","P 2yb","4","S-naproxen L-proline 1:1 cocrystal, polymorph II","(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid; (2S)-pyrrolidin-1-ium-2-carboxylate, polymorph II","","- C38 H46 N2 O10 -","- C38 H46 N2 O10 -","- C76 H92 N4 O20 -","2","1","","Tumanova, Natalia; Tumanov, Nikolay; Fischer, Franziska; Morelle, Fabrice; Ban, Voraksmy; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Emmerling, Franziska; Leyssens, Tom","Exploring polymorphism and stoichiometric diversity in naproxen/proline cocrystals","CrystEngComm","2018","20","45","7308","","10.1039/C8CE01338A","powder diffraction","","0.776188","synchrotron","","","","","","","","","16.66","22.3","","","","","","","has coordinates","227795","2020-10-21","18:00:00",""
"7235101","12.5901","0.0006","5.7587","0.0003","51.425","0.003","90","","90","","90","","3728.4","0.3","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","RS-naproxen D-proline 1:1 cocrystal, polymorph II","(2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid bis((2R)-pyrrolidin-1-ium-2-carboxylate), polymorph II","","- C38 H46 N2 O10 -","- C38 H46 N2 O10 -","- C152 H184 N8 O40 -","4","1","","Tumanova, Natalia; Tumanov, Nikolay; Fischer, Franziska; Morelle, Fabrice; Ban, Voraksmy; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Emmerling, Franziska; Leyssens, Tom","Exploring polymorphism and stoichiometric diversity in naproxen/proline cocrystals","CrystEngComm","2018","20","45","7308","","10.1039/C8CE01338A","powder diffraction","","1.0007","synchrotron","","","","","","","","","12.489","36.98","","","","","","","has coordinates","227795","2020-10-21","18:00:00",""
"7235102","12.1578","0.0005","5.8278","0.0002","25.6828","0.0014","90","","98.762","0.005","90","","1798.47","0.14","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","RS-naproxen D-proline 1:1 cocrystal, polymorph I","(2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid bis((2R)-pyrrolidin-1-ium-2-carboxylate), polymorph I","","- C38 H46 N2 O10 -","- C38 H46 N2 O10 -","- C76 H92 N4 O20 -","2","1","","Tumanova, Natalia; Tumanov, Nikolay; Fischer, Franziska; Morelle, Fabrice; Ban, Voraksmy; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Emmerling, Franziska; Leyssens, Tom","Exploring polymorphism and stoichiometric diversity in naproxen/proline cocrystals","CrystEngComm","2018","20","45","7308","","10.1039/C8CE01338A","","","1.54184","CuKα","","0.0756","0.064","","","0.1847","0.1964","","","","","","1.058","","","","has coordinates","227795","2020-10-21","18:00:00",""
"7235103","9.9964","0.0003","9.0958","0.0004","39.9654","0.0015","90","","90","","90","","3633.9","0.2","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","RS-naproxen DL-proline 1:1 cocrystal, polymorph I","(2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid (2R)-pyrrolidin-1-ium-2-carboxylate (2S)-pyrrolidin-1-ium-2-carboxylatepolymorph I","","- C19 H23 N O5 -","- C19 H23 N O5 -","- C152 H184 N8 O40 -","8","1","","Tumanova, Natalia; Tumanov, Nikolay; Fischer, Franziska; Morelle, Fabrice; Ban, Voraksmy; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Emmerling, Franziska; Leyssens, Tom","Exploring polymorphism and stoichiometric diversity in naproxen/proline cocrystals","CrystEngComm","2018","20","45","7308","","10.1039/C8CE01338A","","","1.54184","CuKα","","0.0579","0.0397","","","0.0952","0.1074","","","","","","1.06","","","","has coordinates,has disorder","227795","2020-10-21","18:00:00",""
"7235104","12.705","0.002","5.7631","0.0008","25","0.005","90","","95.041","0.011","90","","1823.4","0.5","402","","402","","","","","","","","","4","P 1 21 1","P 2yb","4","RS-naproxen L-proline 1:1 cocrystal, polymorph III","(2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid bis((2S)-pyrrolidin-1-ium-2-carboxylate), polymorph III","","- C38 H46 N2 O10 -","- C38 H46 N2 O10 -","- C76 H92 N4 O20 -","2","1","","Tumanova, Natalia; Tumanov, Nikolay; Fischer, Franziska; Morelle, Fabrice; Ban, Voraksmy; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Emmerling, Franziska; Leyssens, Tom","Exploring polymorphism and stoichiometric diversity in naproxen/proline cocrystals","CrystEngComm","2018","20","45","7308","","10.1039/C8CE01338A","powder diffraction","","0.78487","synchrotron","","","","","","","","","7.117","62.48","","","","","","","has coordinates","227795","2020-10-21","18:00:00",""
"7235105","13.7835","0.0012","8.0156","0.0007","18.7113","0.0016","90","","107.462","0.001","90","","1972","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","cimetidinium fumarate acetonitrile solvate","","- C15 H21.5 N6.5 O4 S -","- C15 H21.5 N6.5 O4 S -","- C60 H86 N26 O16 S4 -","4","1","","Ayoub, Ghada; Štrukil, Vjekoslav; Fábián, László; Mottillo, Cristina; Bao, Huizhi; Murata, Yasujiro; Moores, Audrey; Margetić, Davor; Eckert-Maksić, Mirjana; Friščić, Tomislav","Mechanochemistryvs.solution growth: striking differences in bench stability of a cimetidine salt based on a synthetic method","CrystEngComm","2018","20","45","7242","","10.1039/C8CE01727A","","","0.71073","MoKα","","0.0452","0.0373","","","0.0902","0.0942","","","","","","1.041","","","","has coordinates,has disorder","227796","2020-10-21","18:00:00",""
"7235106","7.90643","0.00032","8.3568","0.0004","14.2156","0.0005","87.61","0.0033","75.2582","0.003","76.179","0.005","881.86","0.07","293","","293","","","","","","","","","5","P -1","-P 1","2","cimetidinium fumarate","cimetidinium fumarate polymorph 1","","- C14 H20 N6 O4 S -","- C14 H20 N6 O4 S -","- C28 H40 N12 O8 S2 -","2","1","","Ayoub, Ghada; Štrukil, Vjekoslav; Fábián, László; Mottillo, Cristina; Bao, Huizhi; Murata, Yasujiro; Moores, Audrey; Margetić, Davor; Eckert-Maksić, Mirjana; Friščić, Tomislav","Mechanochemistryvs.solution growth: striking differences in bench stability of a cimetidine salt based on a synthetic method","CrystEngComm","2018","20","45","7242","","10.1039/C8CE01727A","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","0.08581","","1.41","","","","","","","has coordinates","227796","2020-10-21","18:00:00",""
"7235107","13.77","0.001","8.0432","0.0005","18.9493","0.001","90","","107.419","0.004","90","","2002.5","0.2","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","cimetidinium fumarate","cimetidinium fumarate polymorph 2","","- C14 H20 N6 O4 S -","- C14 H20 N6 O4 S -","- C56 H80 N24 O16 S4 -","4","1","","Ayoub, Ghada; Štrukil, Vjekoslav; Fábián, László; Mottillo, Cristina; Bao, Huizhi; Murata, Yasujiro; Moores, Audrey; Margetić, Davor; Eckert-Maksić, Mirjana; Friščić, Tomislav","Mechanochemistryvs.solution growth: striking differences in bench stability of a cimetidine salt based on a synthetic method","CrystEngComm","2018","20","45","7242","","10.1039/C8CE01727A","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","0.05417","","1.14","","","","","","","has coordinates","227796","2020-10-21","18:00:00",""
"7235108","16.537","0.004","10.001","0.004","12.295","0.003","90","","99.96","0.03","90","","2002.8","1.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 N16 O16 -","- C8 H10 N16 O16 -","- C32 H40 N64 O64 -","4","1","","Zhang, Menghua; Tan, Yingxin; Zhao, Xu; Zhang, Jianhu; Huang, Shiliang; Zhai, Zhaohui; Liu, Yu; Yang, Zhijian","Seeking a novel energetic co-crystal strategy through the interfacial self-assembly of CL-20 and HMX nanocrystals","CrystEngComm","2020","22","1","61","67","10.1039/C9CE01447K","","","1.54184","CuKα","","0.3876","0.1668","","","0.391","0.5023","","","","","","1.003","","","","has coordinates,has disorder","257437","2020-10-21","18:00:00",""
"7235142","33.621","0.017","38.411","0.013","40.234","0.015","90","","102.56","0.04","90","","50715","4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C313 H317 N24 O149.5 S16 -","- C313 H317 N24 O149.5 S16 -","- C1252 H1268 N96 O598 S64 -","4","2","","Alex, Jimi M.; McArdle, Patrick; Crowley, Peter B.","Supramolecular stacking in a high Z′ calix[8]arene‒porphyrin assembly","CrystEngComm","2020","22","1","14","17","10.1039/C9CE01646E","","","0.82656","Synchrotron","","0.2282","0.1837","","","0.4178","0.4651","","","","","","1.627","","","","has coordinates","257433","2020-10-21","18:00:00",""
"7235143","33.621","0.017","38.411","0.013","40.234","0.015","90","","102.56","0.04","90","","50715","4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C313 H317 N24 O77 S16 -","- C313 H317 N24 O77 S16 -","- C1252 H1268 N96 O308 S64 -","4","2","","Alex, Jimi M.; McArdle, Patrick; Crowley, Peter B.","Supramolecular stacking in a high Z′ calix[8]arene‒porphyrin assembly","CrystEngComm","2020","22","1","14","17","10.1039/C9CE01646E","","","0.82656","Synchrotron","","0.1191","0.0831","","","0.2284","0.2815","","","","","","0.94","","","","has coordinates","257433","2020-10-21","18:00:00",""
"7235172","7.1235","0.0002","11.1935","0.0004","11.6744","0.0004","90","","97.716","0.001","90","","922.45","0.05","173.15","","173.15","","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C14 H18 Cl4 Cu N4 O -","- C14 H18 Cl4 Cu N4 O -","- C28 H36 Cl8 Cu2 N8 O2 -","2","1","","Jiang, Chunli; Luo, Qianqian; Fu, Hanmei; Lin, Hechun; Luo, Chunhua; Wang, Jianlu; Meng, Xiangjian; Peng, Hui; Duan, Chun-Gang; Chu, Junhao","Ferroelectricity and antiferromagnetism in organic‒inorganic hybrid (1,4-bis(imidazol-1-ylmethyl)benzene)CuCl4·H2O","CrystEngComm","2020","22","3","587","592","10.1039/C9CE01607D","","","1.54178","CuKα","","0.0269","0.0268","","","0.0677","0.0678","","","","","","1.121","","","","has coordinates","257487","2020-10-21","18:00:00",""
"7235203","6.7858","0.0002","8.7123","0.0002","18.1329","0.0004","99.099","0.002","91.152","0.002","97.907","0.002","1047.5","0.05","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H15 N5 -","- C28 H15 N5 -","- C56 H30 N10 -","2","1","","Mandal, Arkalekha; Choudhury, Anwesha; Kumar, Rahul; Iyer, Parameswar Krishnan; Mal, Prasenjit","Exploring the semiconductor properties of a charge transfer cocrystal of 1-aminopyrene and TCNQ","CrystEngComm","2020","22","4","720","727","10.1039/C9CE01507H","","","1.54184","CuKα","","0.1352","0.1199","","","0.2771","0.2819","","","","","","1.021","","","","has coordinates","257457","2020-10-21","18:00:00",""
"7235204","17.0495","0.001","9.9661","0.0008","18.6572","0.0017","90","","115.397","0.006","90","","2863.8","0.4","200","2","200","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H36 I2 N4 Ru -","- C20 H36 I2 N4 Ru -","- C80 H144 I8 N16 Ru4 -","4","0.5","","Dortéz, Silvia; Fernández-Palacio, Francisco; Damián, Jesús; Gaiteiro, Carlos; Ramos, Javier; Gómez-Sal, Pilar; Mosquera, Marta E. G.","Halogen bonding (HaB) in E‒I⋯X‒M systems: influence of the halogen donor on the HaB nature","CrystEngComm","2020","22","5","870","877","10.1039/C9CE01449G","","x-ray","0.71073","MoKα","","0.0755","0.0398","","","0.0884","0.1056","","","","","","0.874","","","","has coordinates","257445","2020-10-21","18:00:00",""
"7235205","9.19","0.0005","9.434","0.002","13.143","0.003","88.54","0.02","69.663","0.012","86.654","0.016","1066.6","0.3","200","2","200","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C28 H40 Cl6 F4 I2 N4 Ru -","- C28 H40 Cl6 F4 I2 N4 Ru -","- C28 H40 Cl6 F4 I2 N4 Ru -","1","0.5","","Dortéz, Silvia; Fernández-Palacio, Francisco; Damián, Jesús; Gaiteiro, Carlos; Ramos, Javier; Gómez-Sal, Pilar; Mosquera, Marta E. G.","Halogen bonding (HaB) in E‒I⋯X‒M systems: influence of the halogen donor on the HaB nature","CrystEngComm","2020","22","5","870","877","10.1039/C9CE01449G","","x-ray","0.71073","MoKα","","0.0737","0.036","","","0.0779","0.0914","","","","","","0.916","","","","has coordinates","257445","2020-10-21","18:00:00",""
"7235206","9.3125","0.0004","9.3992","0.0004","12.7543","0.0005","71.759","0.001","81.883","0.002","80.6","0.002","1041.2","0.08","200","2","200","2","","","","","","","synthesis as described","8","P -1","-P 1","2","","","","- C28 H40 Br2 Cl4 F4 I2 N4 Ru -","- C28 H40 Br2 Cl4 F4 I2 N4 Ru -","- C28 H40 Br2 Cl4 F4 I2 N4 Ru -","1","0.5","","Dortéz, Silvia; Fernández-Palacio, Francisco; Damián, Jesús; Gaiteiro, Carlos; Ramos, Javier; Gómez-Sal, Pilar; Mosquera, Marta E. G.","Halogen bonding (HaB) in E‒I⋯X‒M systems: influence of the halogen donor on the HaB nature","CrystEngComm","2020","22","5","870","877","10.1039/C9CE01449G","","x-ray","0.71073","MoKα","","0.0817","0.068","","","0.2074","0.2633","","","","","","1.138","","","","has coordinates","257445","2020-10-21","18:00:00",""
"7235207","12.2003","0.0004","17.9075","0.0007","7.4507","0.0003","90","","99.935","0.001","90","","1603.4","0.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 F6 I6 O4 Pt -","- C22 H14 F6 I6 O4 Pt -","- C44 H28 F12 I12 O8 Pt2 -","2","0.5","","Rozhkov, Anton V.; Ivanov, Daniil M.; Novikov, Alexander S.; Ananyev, Ivan V.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu.","Metal-involving halogen bond Ar‒I⋯[dz2PtII] in a platinum acetylacetonate complex","CrystEngComm","2020","22","3","554","563","10.1039/C9CE01568J","","","0.71073","MoKα","","0.0352","0.0286","","","0.0576","0.0596","","","","","","1.26","","","","has coordinates","257491","2020-10-21","18:00:00",""
"7235208","12.1215","0.0004","17.8414","0.0006","7.3462","0.0002","90","","99.739","0.001","90","","1565.83","0.09","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 F6 I6 O4 Pt -","- C22 H14 F6 I6 O4 Pt -","- C44 H28 F12 I12 O8 Pt2 -","2","0.5","","Rozhkov, Anton V.; Ivanov, Daniil M.; Novikov, Alexander S.; Ananyev, Ivan V.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu.","Metal-involving halogen bond Ar‒I⋯[dz2PtII] in a platinum acetylacetonate complex","CrystEngComm","2020","22","3","554","563","10.1039/C9CE01568J","","","0.71073","MoKα","","0.0249","0.0219","","","0.046","0.047","","","","","","1.105","","","","has coordinates","257491","2020-10-21","18:00:00",""
"7235209","4.3401","0.0001","16.4262","0.0005","30.145","0.0011","90","","93.037","0.003","90","","2146.06","0.11","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 F3 I3 O4 Pd -","- C16 H14 F3 I3 O4 Pd -","- C64 H56 F12 I12 O16 Pd4 -","4","1","","Rozhkov, Anton V.; Ivanov, Daniil M.; Novikov, Alexander S.; Ananyev, Ivan V.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu.","Metal-involving halogen bond Ar‒I⋯[dz2PtII] in a platinum acetylacetonate complex","CrystEngComm","2020","22","3","554","563","10.1039/C9CE01568J","","x-ray","0.71073","MoKα","","0.0388","0.0344","","","0.0618","0.0633","","","","","","1.176","","","","has coordinates","257491","2020-10-21","18:00:00",""
"7235210","12.2282","0.0005","17.9253","0.0007","7.4916","0.0003","90","","99.941","0.001","90","","1617.46","0.11","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 F6 I6 O4 Pt -","- C22 H14 F6 I6 O4 Pt -","- C44 H28 F12 I12 O8 Pt2 -","2","0.5","","Rozhkov, Anton V.; Ivanov, Daniil M.; Novikov, Alexander S.; Ananyev, Ivan V.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu.","Metal-involving halogen bond Ar‒I⋯[dz2PtII] in a platinum acetylacetonate complex","CrystEngComm","2020","22","3","554","563","10.1039/C9CE01568J","","","0.71073","MoKα","","0.0403","0.0314","","","0.0723","0.0769","","","","","","1.055","","","","has coordinates","257491","2020-10-21","18:00:00",""
"7235211","12.1462","0.0004","17.866","0.0006","7.3776","0.0002","90","","99.848","0.001","90","","1577.38","0.09","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 F6 I6 O4 Pt -","- C22 H14 F6 I6 O4 Pt -","- C44 H28 F12 I12 O8 Pt2 -","2","0.5","","Rozhkov, Anton V.; Ivanov, Daniil M.; Novikov, Alexander S.; Ananyev, Ivan V.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu.","Metal-involving halogen bond Ar‒I⋯[dz2PtII] in a platinum acetylacetonate complex","CrystEngComm","2020","22","3","554","563","10.1039/C9CE01568J","","","0.71073","MoKα","","0.0262","0.0228","","","0.0477","0.0489","","","","","","1.143","","","","has coordinates","257491","2020-10-21","18:00:00",""
"7235212","12.1714","0.0004","17.8866","0.0006","7.4115","0.0003","90","","99.909","0.001","90","","1589.45","0.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 F6 I6 O4 Pt -","- C22 H14 F6 I6 O4 Pt -","- C44 H28 F12 I12 O8 Pt2 -","2","0.5","","Rozhkov, Anton V.; Ivanov, Daniil M.; Novikov, Alexander S.; Ananyev, Ivan V.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu.","Metal-involving halogen bond Ar‒I⋯[dz2PtII] in a platinum acetylacetonate complex","CrystEngComm","2020","22","3","554","563","10.1039/C9CE01568J","","","0.71073","MoKα","","0.0325","0.0269","","","0.0544","0.0561","","","","","","1.211","","","","has coordinates","257491","2020-10-21","18:00:00",""
"7235213","7.6304","0.0005","17.6827","0.0013","17.7371","0.0011","90","","90","","90","","2393.2","0.3","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H20 Co N6 O12 -","- C20 H20 Co N6 O12 -","- C80 H80 Co4 N24 O48 -","4","0.5","","Mohan, Midhun; Maris, Thierry; Duong, Adam","Building coordination polymers using dipyridone ligands","CrystEngComm","2020","22","3","441","447","10.1039/C9CE01725A","","x-ray","1.34139","GaKα","","0.1301","0.073","","","0.1376","0.1607","","","","","","1.111","","","","has coordinates","257499","2020-10-21","18:00:00",""
"7235214","8.9683","0.0015","3.8091","0.0007","14.749","0.003","90","","91.476","0.013","90","","503.68","0.16","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H12 N2 O4 -","- C10 H12 N2 O4 -","- C20 H24 N4 O8 -","2","0.5","","Mohan, Midhun; Maris, Thierry; Duong, Adam","Building coordination polymers using dipyridone ligands","CrystEngComm","2020","22","3","441","447","10.1039/C9CE01725A","","x-ray","1.54178","CuKα","","0.1054","0.0696","","","0.2046","0.2481","","","","","","1.101","","","","has coordinates","257499","2020-10-21","18:00:00",""
"7235215","6.9152","0.0003","18.3958","0.0008","7.2525","0.0003","90","","115.199","0.002","90","","834.8","0.06","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H8 N2 O2 -","- C10 H8 N2 O2 -","- C40 H32 N8 O8 -","4","1","","Mohan, Midhun; Maris, Thierry; Duong, Adam","Building coordination polymers using dipyridone ligands","CrystEngComm","2020","22","3","441","447","10.1039/C9CE01725A","","x-ray","1.34139","GaKα","","0.0518","0.045","","","0.1215","0.1289","","","","","","1.056","","","","has coordinates","257499","2020-10-21","18:00:00",""
"7235220","9.18848","0.00015","18.3718","0.0002","19.6091","0.00018","98.7879","0.0009","92.6442","0.001","97.7172","0.0013","3234.19","0.07","93","","93","","","","","","","","","3","P -1","-P 1","2","","","","- C80 H78 O14 -","- C80 H78 O14 -","- C160 H156 O28 -","2","1","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Co-crystals of 9,9′-bianthracene-10,10′-dicarboxylic acid with linear bidentate basic ligand molecules: synthesis, crystal structure, and properties based on the layer structure exfoliated by water","CrystEngComm","2020","22","3","497","505","10.1039/C9CE01460H","","","1.54187","CuKα","","0.0872","0.0802","","","0.2322","0.2417","","","","","","1.029","","","","has coordinates","257488","2020-10-21","18:00:00",""
"7235221","11.97202","0.00019","12.277","0.00018","12.64035","0.00017","90","","90","","90","","1857.88","0.05","93","","93","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C28 H17 N O2 -","- C28 H17 N O2 -","- C112 H68 N4 O8 -","4","0.5","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Co-crystals of 9,9′-bianthracene-10,10′-dicarboxylic acid with linear bidentate basic ligand molecules: synthesis, crystal structure, and properties based on the layer structure exfoliated by water","CrystEngComm","2020","22","3","497","505","10.1039/C9CE01460H","","","1.54184","CuKα","","0.048","0.0453","","","0.127","0.1307","","","","","","1.05","","","","has coordinates,has disorder","257488","2020-10-21","18:00:00",""
"7235222","10.2344","0.0008","33.477","0.002","11.5077","0.001","90","","93.536","0.007","90","","3935.2","0.5","93","","93","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C42 H42 N4 O11 -","- C42 H42 N4 O11 -","- C168 H168 N16 O44 -","4","1","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Co-crystals of 9,9′-bianthracene-10,10′-dicarboxylic acid with linear bidentate basic ligand molecules: synthesis, crystal structure, and properties based on the layer structure exfoliated by water","CrystEngComm","2020","22","3","497","505","10.1039/C9CE01460H","","","0.71075","MoKα","","0.2056","0.1064","","","0.2472","0.2994","","","","","","0.995","","","","has coordinates","257488","2020-10-21","18:00:00",""
"7235223","14.3333","0.0005","11.8876","0.0004","16.9672","0.0006","90","","96.463","0.003","90","","2872.64","0.17","93","","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H26 N2 O4 -","- C40 H26 N2 O4 -","- C160 H104 N8 O16 -","4","1","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Co-crystals of 9,9′-bianthracene-10,10′-dicarboxylic acid with linear bidentate basic ligand molecules: synthesis, crystal structure, and properties based on the layer structure exfoliated by water","CrystEngComm","2020","22","3","497","505","10.1039/C9CE01460H","","","0.71073","MoKα","","0.0957","0.053","","","0.1046","0.1176","","","","","","1.024","","","","has coordinates","257488","2020-10-21","18:00:00",""
"7235224","33.4734","0.001","10.5712","0.0004","11.1961","0.0004","90","","90","","90","","3961.8","0.2","93","","93","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C42 H43 N4 O11 -","- C42 H43 N4 O11 -","- C168 H172 N16 O44 -","4","1","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Co-crystals of 9,9′-bianthracene-10,10′-dicarboxylic acid with linear bidentate basic ligand molecules: synthesis, crystal structure, and properties based on the layer structure exfoliated by water","CrystEngComm","2020","22","3","497","505","10.1039/C9CE01460H","","","0.71075","MoKα","","0.0872","0.056","","","0.1358","0.1536","","","","","","1.04","","","","has coordinates","257488","2020-10-21","18:00:00",""
"7235225","10.3818","0.0005","10.9676","0.0002","18.7727","0.0005","95.299","0.002","98.714","0.003","91.279","0.003","2102.39","0.12","93","","93","","","","","","","","","4","P -1","-P 1","2","","","","- C44.8 H39.6 N3.6 O8.2 -","- C44.8 H39.6 N3.6 O8.2 -","- C89.6 H79.2 N7.2 O16.4 -","2","1","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Co-crystals of 9,9′-bianthracene-10,10′-dicarboxylic acid with linear bidentate basic ligand molecules: synthesis, crystal structure, and properties based on the layer structure exfoliated by water","CrystEngComm","2020","22","3","497","505","10.1039/C9CE01460H","","","1.54184","CuKα","","0.1811","0.1379","","","0.3957","0.4352","","","","","","1.586","","","","has coordinates,has disorder","257488","2020-10-21","18:00:00",""
"7235226","12.1391","0.0002","12.7561","0.00012","38.9751","0.0004","90","","90","","90","","6035.2","0.13","93","","93","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C42 H26 N2 O4 -","- C42 H26 N2 O4 -","- C336 H208 N16 O32 -","8","1","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Co-crystals of 9,9′-bianthracene-10,10′-dicarboxylic acid with linear bidentate basic ligand molecules: synthesis, crystal structure, and properties based on the layer structure exfoliated by water","CrystEngComm","2020","22","3","497","505","10.1039/C9CE01460H","","","1.54187","CuKα","","0.099","0.0954","","","0.2882","0.2908","","","","","","1.146","","","","has coordinates","257488","2020-10-21","18:00:00",""
"7235227","30.1293","0.0019","30.1293","0.0019","8.9281","0.0006","90","","90","","120","","7018.9","0.8","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C27 H24 Cl4 Cu N2 O5 -","- C24 H16 Cu N2 O4 -","- C216 H144 Cu9 N18 O36 -","9","0.5","","Liu, Yi; Zhao, Yue; Liu, Zhi-Qiang; Liu, Xiao-Hui; Zhang, Xiu-Du; Sun, Wei-Yin","Coordination polymers with salicylaldehyde ligands: structural diversity, selective sorption and luminescence sensing properties","CrystEngComm","2020","22","2","304","310","10.1039/C9CE01675A","","","0.71073","MoKα","","0.0369","0.0339","","","0.1079","0.1094","","","","","","1.106","","","","has coordinates","257470","2020-10-21","18:00:00",""
"7235228","8.7775","0.0005","6.8216","0.0005","16.1117","0.0009","90","","105.151","0.002","90","","931.18","0.1","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 Co N2 O4 -","- C24 H16 Co N2 O4 -","- C48 H32 Co2 N4 O8 -","2","0.5","","Liu, Yi; Zhao, Yue; Liu, Zhi-Qiang; Liu, Xiao-Hui; Zhang, Xiu-Du; Sun, Wei-Yin","Coordination polymers with salicylaldehyde ligands: structural diversity, selective sorption and luminescence sensing properties","CrystEngComm","2020","22","2","304","310","10.1039/C9CE01675A","","","0.71073","MoKα","","0.0405","0.0382","","","0.1103","0.1118","","","","","","1.124","","","","has coordinates","257470","2020-10-21","18:00:00",""
"7235229","15.516","0.002","17.11","0.002","9.6566","0.0014","90","","95.233","0.003","90","","2552.9","0.6","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 Cl2 N2 O5 Zn -","- C24 H16 N2 O4 Zn -","- C96 H64 N8 O16 Zn4 -","4","0.5","","Liu, Yi; Zhao, Yue; Liu, Zhi-Qiang; Liu, Xiao-Hui; Zhang, Xiu-Du; Sun, Wei-Yin","Coordination polymers with salicylaldehyde ligands: structural diversity, selective sorption and luminescence sensing properties","CrystEngComm","2020","22","2","304","310","10.1039/C9CE01675A","","","0.71073","MoKα","","0.0349","0.0305","","","0.0763","0.0802","","","","","","0.975","","","","has coordinates","257470","2020-10-21","18:00:00",""
"7235230","12.4544","0.0014","4.099","0.0005","23.844","0.003","90","","103.822","0.002","90","","1182","0.2","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 Cu I N O2 -","- C12 H9 Cu I N O2 -","- C48 H36 Cu4 I4 N4 O8 -","4","1","","Liu, Yi; Zhao, Yue; Liu, Zhi-Qiang; Liu, Xiao-Hui; Zhang, Xiu-Du; Sun, Wei-Yin","Coordination polymers with salicylaldehyde ligands: structural diversity, selective sorption and luminescence sensing properties","CrystEngComm","2020","22","2","304","310","10.1039/C9CE01675A","","","0.71073","MoKα","","0.032","0.0273","","","0.069","0.0802","","","","","","1.15","","","","has coordinates","257470","2020-10-21","18:00:00",""
"7235231","31.087","0.008","31.087","0.008","8.954","0.002","90","","90","","120","","7494","3","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C27 H26 Cl2 Co N2 O6 -","- C24 H16 Co N2 O4 -","- C216 H144 Co9 N18 O36 -","9","0.5","","Liu, Yi; Zhao, Yue; Liu, Zhi-Qiang; Liu, Xiao-Hui; Zhang, Xiu-Du; Sun, Wei-Yin","Coordination polymers with salicylaldehyde ligands: structural diversity, selective sorption and luminescence sensing properties","CrystEngComm","2020","22","2","304","310","10.1039/C9CE01675A","","","0.71073","MoKα","","0.1058","0.0538","","","0.1281","0.1465","","","","","","0.944","","","","has coordinates","257470","2020-10-21","18:00:00",""
"7235232","10.75","0.003","13.933","0.005","14.348","0.005","73.692","0.012","74.143","0.012","68.269","0.012","1881.1","1.1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H12 O10 Zn2 -","- C29 H12 O10 Zn2 -","- C58 H24 O20 Zn4 -","2","1","","Moreau, Florian; Audebrand, Nathalie; Poriel, Cyril","9,9′-Spirobifluorene based zinc coordination polymers: a study on linker geometry and topology","CrystEngComm","2020","22","2","293","303","10.1039/C9CE01567A","","","0.71073","MoKα","","0.1189","0.0653","","","0.1655","0.1807","","","","","","0.864","","","","has coordinates","257465","2020-10-21","18:00:00",""
"7235233","18.5664","0.0012","10.3393","0.0006","23.224","0.0013","90","","119.006","0.002","90","","3899","0.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H34 N2 O10 Zn2 -","- C39 H34 N2 O10 Zn2 -","- C156 H136 N8 O40 Zn8 -","4","0.5","","Moreau, Florian; Audebrand, Nathalie; Poriel, Cyril","9,9′-Spirobifluorene based zinc coordination polymers: a study on linker geometry and topology","CrystEngComm","2020","22","2","293","303","10.1039/C9CE01567A","","","0.71073","MoKα","","0.1148","0.0826","","","0.2587","0.2831","","","","","","1.101","","","","has coordinates","257465","2020-10-21","18:00:00",""
"7235234","13.36","0.004","17.2","0.004","14.314","0.004","90","","94.69","0.01","90","","3278.2","1.5","150","2","150","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C26.5 H14 O5 Zn -","- C26.5 H14 O5 Zn -","- C106 H56 O20 Zn4 -","4","1","","Moreau, Florian; Audebrand, Nathalie; Poriel, Cyril","9,9′-Spirobifluorene based zinc coordination polymers: a study on linker geometry and topology","CrystEngComm","2020","22","2","293","303","10.1039/C9CE01567A","","","0.71069","MoKα","","0.0763","0.0566","","","0.1568","0.1682","","","","","","0.951","","","","has coordinates","257465","2020-10-21","18:00:00",""
"7235235","44.21","0.002","44.21","0.002","44.21","0.002","90","","90","","90","","86410","7","150","2","150","2","","","","","","","","4","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C53.33 H27.08 O9.33 Zn2 -","- C53 H28 O9.33333 Zn2 -","- C2544 H1344 O448 Zn96 -","48","0.25","","Moreau, Florian; Audebrand, Nathalie; Poriel, Cyril","9,9′-Spirobifluorene based zinc coordination polymers: a study on linker geometry and topology","CrystEngComm","2020","22","2","293","303","10.1039/C9CE01567A","","","0.71073","MoKα","","0.1059","0.0546","","","0.1699","0.19","","","","","","1.039","","","","has coordinates","257465","2020-10-21","18:00:00",""
"7235241","13.2358","0.0003","15.2794","0.0002","7.8074","0.0002","90","","106.18","0.002","90","","1516.39","0.06","132","2","132","2","","","","","","","","4","C 1 c 1","C -2yc","9","","theobromine-2,3-dihydroxybenzoic acid monohydrate","","- C14 H16 N4 O7 -","- C14 H16 N4 O7 -","- C56 H64 N16 O28 -","4","1","","Gołdyn, Mateusz; Larowska, Daria; Nowak, Weronika; Bartoszak-Adamska, Elżbieta","Synthon hierarchy in theobromine cocrystals with hydroxybenzoic acids as coformers","CrystEngComm","2019","","","","","10.1039/C9CE01195A","","x-ray","1.54184","CuKα","","0.0261","0.026","","","0.0728","0.073","","","","","","1.064","","","","has coordinates","231187","2020-10-21","18:00:00",""
"7235242","26.7527","0.0005","14.212","0.0002","7.2608","0.0002","90","","90","","90","","2760.62","0.1","130.9","0.8","130.9","0.8","","","","","","","","4","P b c n","-P 2n 2ab","60","","theobromine-3,4-dihydroxybenzoic acid","","- C14 H14 N4 O6 -","- C14 H14 N4 O6 -","- C112 H112 N32 O48 -","8","1","","Gołdyn, Mateusz; Larowska, Daria; Nowak, Weronika; Bartoszak-Adamska, Elżbieta","Synthon hierarchy in theobromine cocrystals with hydroxybenzoic acids as coformers","CrystEngComm","2019","","","","","10.1039/C9CE01195A","","x-ray","1.54184","CuKα","","0.0594","0.0533","","","0.1441","0.1478","","","","","","1.094","","","","has coordinates","231187","2020-10-21","18:00:00",""
"7235243","14.4617","0.0003","12.7978","0.0003","15.7666","0.0003","90","","92.3554","0.0017","90","","2915.58","0.11","130.8","0.6","130.8","0.6","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","theobromine-3,5-dihydroxybenzoic acid","","- C14 H14 N4 O6 -","- C14 H14 N4 O6 -","- C112 H112 N32 O48 -","8","2","","Gołdyn, Mateusz; Larowska, Daria; Nowak, Weronika; Bartoszak-Adamska, Elżbieta","Synthon hierarchy in theobromine cocrystals with hydroxybenzoic acids as coformers","CrystEngComm","2019","","","","","10.1039/C9CE01195A","","x-ray","1.54184","CuKα","","0.0529","0.047","","","0.1302","0.1354","","","","","","1.075","","","","has coordinates","231187","2020-10-21","18:00:00",""
"7235244","15.2976","0.0003","6.845","0.0001","15.93","0.0003","90","","115.911","0.003","90","","1500.38","0.06","131.8","0.3","131.8","0.3","","","","","","","","4","P 1 21/n 1","-P 2yn","14","theobromine 2,6-dihydroxybenzoic acid monohydrate","theobrominium 2,6-dihydroxybenzoate monohydrate","","- C14 H16 N4 O7 -","- C14 H16 N4 O7 -","- C56 H64 N16 O28 -","4","1","","Gołdyn, Mateusz; Larowska, Daria; Nowak, Weronika; Bartoszak-Adamska, Elżbieta","Synthon hierarchy in theobromine cocrystals with hydroxybenzoic acids as coformers","CrystEngComm","2019","","","","","10.1039/C9CE01195A","","x-ray","1.54184","CuKα","","0.0399","0.0366","","","0.1018","0.1051","","","","","","1.075","","","","has coordinates","231187","2020-10-21","18:00:00",""
"7235245","6.8492","0.0003","7.9605","0.0004","14.0276","0.0008","79.391","0.004","78.55","0.004","77.232","0.004","723.16","0.07","130.3","0.4","130.3","0.4","","","","","","","","4","P -1","-P 1","2","","theobromine-2,5-dihydroxybenzoic acid","","- C14 H14 N4 O6 -","- C14 H14 N4 O6 -","- C28 H28 N8 O12 -","2","1","","Gołdyn, Mateusz; Larowska, Daria; Nowak, Weronika; Bartoszak-Adamska, Elżbieta","Synthon hierarchy in theobromine cocrystals with hydroxybenzoic acids as coformers","CrystEngComm","2019","","","","","10.1039/C9CE01195A","","x-ray","1.54184","CuKα","","0.0556","0.0519","","","0.1499","0.1553","","","","","","1.047","","","","has coordinates","231187","2020-10-21","18:00:00",""
"7235246","7.9392","0.0003","6.3569","0.0002","28.7601","0.0007","90","","96.093","0.003","90","","1443.29","0.08","132","1","132","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","theobromine-2,4-dihydroxybenzoic acid","","- C14 H14 N4 O6 -","- C14 H14 N4 O6 -","- C56 H56 N16 O24 -","4","1","","Gołdyn, Mateusz; Larowska, Daria; Nowak, Weronika; Bartoszak-Adamska, Elżbieta","Synthon hierarchy in theobromine cocrystals with hydroxybenzoic acids as coformers","CrystEngComm","2019","","","","","10.1039/C9CE01195A","","x-ray","1.54184","CuKα","","0.0542","0.0464","","","0.1363","0.1414","","","","","","1.095","","","","has coordinates","231187","2020-10-21","18:00:00",""
"7235394","8.152","0.002","20.538","0.005","12.736","0.003","90","","93.44","0.02","90","","2128.5","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H46 Cu3 N10 O20 -","- C34 H46 Cu3 N10 O20 -","- C68 H92 Cu6 N20 O40 -","2","0.5","","Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Bauzá, Antonio; Zarghami, Sara; Ballester, Pablo; Mague, Joel T.; Frontera, Antonio","On the importance of non covalent interactions in the structure of coordination Cu(ii) and Co(ii) complexes of pyrazine- and pyridine-dicarboxylic acid derivatives: experimental and theoretical views","CrystEngComm","2014","16","27","6149","","10.1039/C4CE00003J","","","0.71073","MoKα","","0.0594","0.0351","","","0.0903","0.1002","","","","","","1.019","","","","has coordinates","232757","2020-10-21","18:00:00",""
"7235395","11.986","0.002","7.6602","0.0014","15.75","0.003","90","","94.123","0.003","90","","1442.3","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 Cu N4 O7 -","- C12 H14 Cu N4 O7 -","- C48 H56 Cu4 N16 O28 -","4","1","","Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Bauzá, Antonio; Zarghami, Sara; Ballester, Pablo; Mague, Joel T.; Frontera, Antonio","On the importance of non covalent interactions in the structure of coordination Cu(ii) and Co(ii) complexes of pyrazine- and pyridine-dicarboxylic acid derivatives: experimental and theoretical views","CrystEngComm","2014","16","27","6149","","10.1039/C4CE00003J","","","0.71073","MoKα","","0.0352","0.0305","","","0.081","0.0847","","","","","","1.047","","","","has coordinates","232757","2020-10-21","18:00:00",""
"7235396","12.5445","0.0004","7.3874","0.0003","11.8763","0.0006","90","","111.118","0.001","90","","1026.68","0.07","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H10 Co N2 O8 -","- C6 H10 Co N2 O8 -","- C24 H40 Co4 N8 O32 -","4","0.5","","Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Bauzá, Antonio; Zarghami, Sara; Ballester, Pablo; Mague, Joel T.; Frontera, Antonio","On the importance of non covalent interactions in the structure of coordination Cu(ii) and Co(ii) complexes of pyrazine- and pyridine-dicarboxylic acid derivatives: experimental and theoretical views","CrystEngComm","2014","16","27","6149","","10.1039/C4CE00003J","","","1.54178","Cu","","0.0201","0.0198","","","0.0548","0.0551","","","","","","1.091","","","","has coordinates","232757","2020-10-21","18:00:00",""
"7235397","8.3425","0.0005","27.164","0.0017","9.5946","0.0006","90","","98.111","0.002","90","","2152.5","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 Cu2 N2 O15 -","- C14 H20 Cu2 N2 O15 -","- C56 H80 Cu8 N8 O60 -","4","1","","Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Bauzá, Antonio; Zarghami, Sara; Ballester, Pablo; Mague, Joel T.; Frontera, Antonio","On the importance of non covalent interactions in the structure of coordination Cu(ii) and Co(ii) complexes of pyrazine- and pyridine-dicarboxylic acid derivatives: experimental and theoretical views","CrystEngComm","2014","16","27","6149","","10.1039/C4CE00003J","","","0.71073","MoKα","","0.0426","0.04","","","0.1237","0.1253","","","","","","1.171","","","","has coordinates","232757","2020-10-21","18:00:00",""
"7235398","13.1423","0.0003","8.5766","0.0002","15.1489","0.0003","90","","101.323","0.001","90","","1674.29","0.06","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H13 Cd N2 O5 -","- C21 H13 Cd N2 O5 -","- C84 H52 Cd4 N8 O20 -","4","1","","Zhang, Xiao-jing; Li, Jian-qiang; Liu, Shu-juan; Luo, Ming-biao; Xu, Wen-yuan; Luo, Feng","An unprecedented (4,8)-connected net featuring gsp2 topology and containing an exceptional coordination mode of acylamide ligand","CrystEngComm","2014","16","24","5216","","10.1039/c4ce00146j","","","0.71073","MoKα","","0.0277","0.0247","","","0.0646","0.0671","","","","","","1.102","","","","has coordinates","232759","2020-10-21","18:00:00",""
"7235399","8.6936","0.0008","11.192","0.0011","16.621","0.0016","92.087","0.001","105.046","0.001","95.751","0.001","1550.6","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 Cr N5 O17 -","- C26 H28 Cr N5 O17 -","- C52 H56 Cr2 N10 O34 -","2","1","","Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Karrabi, Zahra; Molčanov, Krešimir; Eydizadeh, Ehsan; Mague, Joel T.; Bauzá, Antonio; Frontera, Antonio","Crystal engineering with coordination compounds of NiII, CoII, and CrIII bearing dipicolinic acid driven by the nature of the noncovalent interactions","CrystEngComm","2014","16","24","5352","","10.1039/c4ce00325j","","","0.71073","MoKα","","0.0401","0.0371","","","0.0978","0.1008","","","","","","1.063","","","","has coordinates,has disorder","232761","2020-10-21","18:00:00",""
"7235400","13.402","0.0002","10.0271","0.0001","19.8799","0.0003","90","","108.994","0.002","90","","2526.07","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H20 Cr N3 O10 -","- C27 H20 Cr N3 O10 -","- C108 H80 Cr4 N12 O40 -","4","1","","Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Karrabi, Zahra; Molčanov, Krešimir; Eydizadeh, Ehsan; Mague, Joel T.; Bauzá, Antonio; Frontera, Antonio","Crystal engineering with coordination compounds of NiII, CoII, and CrIII bearing dipicolinic acid driven by the nature of the noncovalent interactions","CrystEngComm","2014","16","24","5352","","10.1039/c4ce00325j","","x-ray","1.54179","CuKα","","","0.0382","","","","0.1217","","","","","","1.103","","","","has coordinates","232761","2020-10-21","18:00:00",""
"7235401","35.1399","0.0009","9.6985","0.0002","18.5587","0.0005","90","","119.555","0.003","90","","5501.9","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H47 Cr2 N8 O22.55 -","- C54 H47 Cr2 N8 O22.55 -","- C216 H188 Cr8 N32 O90.2 -","4","0.5","","Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Karrabi, Zahra; Molčanov, Krešimir; Eydizadeh, Ehsan; Mague, Joel T.; Bauzá, Antonio; Frontera, Antonio","Crystal engineering with coordination compounds of NiII, CoII, and CrIII bearing dipicolinic acid driven by the nature of the noncovalent interactions","CrystEngComm","2014","16","24","5352","","10.1039/c4ce00325j","","x-ray","1.54184","CuKα","","","0.0365","","","","0.108","","","","","","1.06","","","","has coordinates","232761","2020-10-21","18:00:00",""
"7235402","13.676","0.003","10.0513","0.0019","13.785","0.003","90","","115.251","0.013","90","","1713.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N2 Ni O11 -","- C14 H14 N2 Ni O11 -","- C56 H56 N8 Ni4 O44 -","4","1","","Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Karrabi, Zahra; Molčanov, Krešimir; Eydizadeh, Ehsan; Mague, Joel T.; Bauzá, Antonio; Frontera, Antonio","Crystal engineering with coordination compounds of NiII, CoII, and CrIII bearing dipicolinic acid driven by the nature of the noncovalent interactions","CrystEngComm","2014","16","24","5352","","10.1039/c4ce00325j","","","0.71073","MoKα","","0.0516","0.0384","","","0.0962","0.1028","","","","","","1.045","","","","has coordinates","232761","2020-10-21","18:00:00",""
"7235403","12.328","0.005","16.545","0.007","12.821","0.005","90","","109.19","0.005","90","","2469.7","1.7","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C50 H70 N4 O20 S -","- C50 H70 N4 O20 S -","- C100 H140 N8 O40 S2 -","2","0.5","","Fowler, Drew A.; Pfeiffer, Constance R.; Teat, Simon J.; Beavers, Christine M.; Baker, Gary A.; Atwood, Jerry L.","Illuminating host‒guest cocrystallization between pyrogallol[4]arenes and the ionic liquid 1-ethyl-3-methylimidazolium ethylsulfate","CrystEngComm","2014","16","27","6010","","10.1039/C4CE00359D","","","0.7749","synchrotron","","0.085","0.0668","","","0.2","0.2194","","","","","","1.068","","","","has coordinates,has disorder","232764","2020-10-21","18:00:00",""
"7235404","12.72","0.003","39.701","0.01","16.861","0.004","90","","95.212","0.004","90","","8480","4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","c2phemimetso4","","","- C84 H110 N6 O27 S3 -","- C84 H104 N6 O27 S3 -","- C336 H416 N24 O108 S12 -","4","1","","Fowler, Drew A.; Pfeiffer, Constance R.; Teat, Simon J.; Beavers, Christine M.; Baker, Gary A.; Atwood, Jerry L.","Illuminating host‒guest cocrystallization between pyrogallol[4]arenes and the ionic liquid 1-ethyl-3-methylimidazolium ethylsulfate","CrystEngComm","2014","16","27","6010","","10.1039/C4CE00359D","","","0.71073","MoKα","","0.1209","0.0728","","","0.1867","0.2195","","","","","","1.043","","","","has coordinates,has disorder","232764","2020-10-21","18:00:00",""
"7235405","9.9102","0.0015","14.121","0.002","14.877","0.002","91.328","0.002","96.132","0.002","96.436","0.002","2055.7","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","2DFMJ12","","","- C42 H53 N3 O17 S -","- C42 H51 N3 O17 S -","- C84 H102 N6 O34 S2 -","2","1","","Fowler, Drew A.; Pfeiffer, Constance R.; Teat, Simon J.; Beavers, Christine M.; Baker, Gary A.; Atwood, Jerry L.","Illuminating host‒guest cocrystallization between pyrogallol[4]arenes and the ionic liquid 1-ethyl-3-methylimidazolium ethylsulfate","CrystEngComm","2014","16","27","6010","","10.1039/C4CE00359D","","","0.7749","synchrotron","","0.0936","0.0575","","","0.14","0.1598","","","","","","1.008","","","","has coordinates,has disorder","232764","2020-10-21","18:00:00",""
"7235406","19.3218","0.0016","14.7252","0.0012","32.896","0.003","90","","104.855","0.002","90","","9046.7","1.3","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","3DFMJ12","","","- C87 H122 N4 O36 S -","- C87 H108 N4 O36 S -","- C348 H432 N16 O144 S4 -","4","1","","Fowler, Drew A.; Pfeiffer, Constance R.; Teat, Simon J.; Beavers, Christine M.; Baker, Gary A.; Atwood, Jerry L.","Illuminating host‒guest cocrystallization between pyrogallol[4]arenes and the ionic liquid 1-ethyl-3-methylimidazolium ethylsulfate","CrystEngComm","2014","16","27","6010","","10.1039/C4CE00359D","","","0.7749","synchrotron","","0.0962","0.0766","","","0.2043","0.2276","","","","","","1.022","","","","has coordinates,has disorder","232764","2020-10-21","18:00:00",""
"7235407","10.059","0.0019","14.556","0.003","15.558","0.003","92.816","0.002","93.863","0.002","96.287","0.002","2255.5","0.8","173","2","173","2","","","","","","","","5","P -1","-P 1","2","C2emimMeCN","","","- C46 H61 N3 O17 S -","- C46 H59 N3 O17 S -","- C92 H118 N6 O34 S2 -","2","1","","Fowler, Drew A.; Pfeiffer, Constance R.; Teat, Simon J.; Beavers, Christine M.; Baker, Gary A.; Atwood, Jerry L.","Illuminating host‒guest cocrystallization between pyrogallol[4]arenes and the ionic liquid 1-ethyl-3-methylimidazolium ethylsulfate","CrystEngComm","2014","16","27","6010","","10.1039/C4CE00359D","","","0.71073","MoKα","","0.084","0.0499","","","0.1268","0.1502","","","","","","1.013","","","","has coordinates,has disorder","232764","2020-10-21","18:00:00",""
"7235408","21.075","0.009","12.796","0.006","18.229","0.008","90","","96.533","0.006","90","","4884","4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","pgc4emimace","","","- C50 H72 N2 O18 S -","- C50 H72 N2 O18 S -","- C200 H288 N8 O72 S4 -","4","1","","Fowler, Drew A.; Pfeiffer, Constance R.; Teat, Simon J.; Beavers, Christine M.; Baker, Gary A.; Atwood, Jerry L.","Illuminating host‒guest cocrystallization between pyrogallol[4]arenes and the ionic liquid 1-ethyl-3-methylimidazolium ethylsulfate","CrystEngComm","2014","16","27","6010","","10.1039/C4CE00359D","","","0.71073","MoKα","","0.2169","0.0934","","","0.2099","0.2636","","","","","","1.024","","","","has coordinates","232764","2020-10-21","18:00:00",""
"7235410","11.532","0.002","13.619","0.003","11.371","0.002","90","","95.74","0.03","90","","1776.9","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N4 O2 -","- C20 H18 N4 O2 -","- C80 H72 N16 O8 -","4","1","","Chen, Shuo; Fan, Rui-Qing; Wang, Xin-Ming; Yang, Yu-Lin","Novel bright blue emissions IIB group complexes constructed with various polyhedron-induced 2-[2′-(6-methoxy-pyridyl)]-benzimidazole derivatives","CrystEngComm","2014","16","27","6114","","10.1039/c4ce00382a","","","0.71073","MoKα","","0.0739","0.0435","","","0.1106","0.1229","","","","","","1.034","","","","has coordinates","232767","2020-10-21","18:00:00",""
"7235411","15.01","0.003","9.2532","0.0019","16.741","0.003","90","","113.64","0.03","90","","2130","0.9","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 Cl2 N4 O2 Zn -","- C20 H18 Cl2 N4 O2 Zn -","- C80 H72 Cl8 N16 O8 Zn4 -","4","1","","Chen, Shuo; Fan, Rui-Qing; Wang, Xin-Ming; Yang, Yu-Lin","Novel bright blue emissions IIB group complexes constructed with various polyhedron-induced 2-[2′-(6-methoxy-pyridyl)]-benzimidazole derivatives","CrystEngComm","2014","16","27","6114","","10.1039/c4ce00382a","","","0.71073","MoKα","","0.0649","0.0411","","","0.0839","0.0929","","","","","","1.07","","","","has coordinates","232767","2020-10-21","18:00:00",""
"7235412","10.023","0.002","14.669","0.003","14.429","0.003","90","","96.56","0.03","90","","2107.6","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Cd4","","","- C20 H18 Cd Cl2 N4 O2 -","- C20 H18 Cd Cl2 N4 O2 -","- C80 H72 Cd4 Cl8 N16 O8 -","4","1","","Chen, Shuo; Fan, Rui-Qing; Wang, Xin-Ming; Yang, Yu-Lin","Novel bright blue emissions IIB group complexes constructed with various polyhedron-induced 2-[2′-(6-methoxy-pyridyl)]-benzimidazole derivatives","CrystEngComm","2014","16","27","6114","","10.1039/c4ce00382a","","","0.71073","MoKα","","0.035","0.0291","","","0.0834","0.0866","","","","","","1.153","","","","has coordinates","232767","2020-10-21","18:00:00",""
"7235413","11.0477","0.0002","18.3261","0.0005","19.7231","0.0005","90","","91.198","0.002","90","","3992.29","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H38 Cd N10 O11 -","- C40 H38 Cd N10 O11 -","- C160 H152 Cd4 N40 O44 -","4","1","","Chen, Shuo; Fan, Rui-Qing; Wang, Xin-Ming; Yang, Yu-Lin","Novel bright blue emissions IIB group complexes constructed with various polyhedron-induced 2-[2′-(6-methoxy-pyridyl)]-benzimidazole derivatives","CrystEngComm","2014","16","27","6114","","10.1039/c4ce00382a","","","0.71073","MoKα","","0.065","0.0414","","","0.0939","0.1103","","","","","","1.028","","","","has coordinates","232767","2020-10-21","18:00:00",""
"7235414","7.9949","0.0016","11.283","0.002","11.996","0.002","97.51","0.03","103.89","0.03","102.5","0.03","1006.3","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H18 Cl2 Hg N4 O2 -","- C20 H18 Cl2 Hg N4 O2 -","- C40 H36 Cl4 Hg2 N8 O4 -","2","1","","Chen, Shuo; Fan, Rui-Qing; Wang, Xin-Ming; Yang, Yu-Lin","Novel bright blue emissions IIB group complexes constructed with various polyhedron-induced 2-[2′-(6-methoxy-pyridyl)]-benzimidazole derivatives","CrystEngComm","2014","16","27","6114","","10.1039/c4ce00382a","","","0.71073","MoKα","","0.0387","0.0337","","","0.0894","0.0963","","","","","","0.879","","","","has coordinates","232767","2020-10-21","18:00:00",""
"7235415","7.346","0.0015","9.4","0.0019","10.7","0.002","101.75","0.03","90.16","0.03","92.82","0.03","722.4","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H9 Cl2 N3 O Zn -","- C13 H11 Cl2 N3 O Zn -","- C26 H22 Cl4 N6 O2 Zn2 -","2","1","","Chen, Shuo; Fan, Rui-Qing; Wang, Xin-Ming; Yang, Yu-Lin","Novel bright blue emissions IIB group complexes constructed with various polyhedron-induced 2-[2′-(6-methoxy-pyridyl)]-benzimidazole derivatives","CrystEngComm","2014","16","27","6114","","10.1039/c4ce00382a","","","0.71073","MoKα","","0.1369","0.0785","","","0.2118","0.3374","","","","","","0.986","","","","has coordinates","232767","2020-10-21","18:00:00",""
"7235416","7.9745","0.0018","16.072","0.004","10.223","0.003","90","","110.051","0.007","90","","1230.8","0.6","90","","90","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4,4'-bis(9-carbazolyl)biphenyl","","- C36 H24 N2 -","- C36 H24 N2 -","- C72 H48 N4 -","2","0.5","","Gleason, Cody J.; Cox, Jordan M.; Walton, Ian M.; Benedict, Jason B.","Polymorphism and the influence of crystal structure on the luminescence of the opto-electronic material 4,4′-bis(9-carbazolyl)biphenyl","CrystEngComm","2014","16","33","7621","","10.1039/C4CE01056F","","x-ray","0.71073","MoKα","","0.0866","0.0496","","","0.1147","0.1268","","","","","","1.046","","","","has coordinates","232769","2020-10-21","18:00:00",""
"7235417","26.9518","0.0017","12.3277","0.0008","15.2781","0.001","90","","90","","90","","5076.2","0.6","90","","90","","","","","","","","","3","A e a 2","A 2 -2ab","41","","4,4'‒bis(9-carbazolyl)biphenyl","","- C36 H24 N2 -","- C36 H24 N2 -","- C288 H192 N16 -","8","1","","Gleason, Cody J.; Cox, Jordan M.; Walton, Ian M.; Benedict, Jason B.","Polymorphism and the influence of crystal structure on the luminescence of the opto-electronic material 4,4′-bis(9-carbazolyl)biphenyl","CrystEngComm","2014","16","33","7621","","10.1039/C4CE01056F","","x-ray","0.71073","MoKα","","0.0372","0.0318","","","0.0714","0.0737","","","","","","1.07","","","","has coordinates","232769","2020-10-21","18:00:00",""
"7235418","18.0076","0.001","7.3919","0.0004","36.337","0.002","90","","90","","90","","4836.8","0.5","90","","90","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","4,4'-bis(9-carbazolyl)biphenyl","","- C36 H24 N2 -","- C36 H24 N2 -","- C288 H192 N16 -","8","1","","Gleason, Cody J.; Cox, Jordan M.; Walton, Ian M.; Benedict, Jason B.","Polymorphism and the influence of crystal structure on the luminescence of the opto-electronic material 4,4′-bis(9-carbazolyl)biphenyl","CrystEngComm","2014","16","33","7621","","10.1039/C4CE01056F","","x-ray","0.71073","MoKα","","0.066","0.046","","","0.1093","0.1214","","","","","","1.022","","","","has coordinates","232769","2020-10-21","18:00:00",""
"7235419","9.8043","0.001","9.8043","0.001","7.4487","0.0011","90","","90","","90","","716","0.15","120","2","120","2","","","","","","","","7","P 4/n m m :2","-P 4a 2a","129","","","","- Cl Cu4 F4 H4 N O12 P4 -","- Cl Cu4 F4 H4 N O12 P4 -","- Cl2 Cu8 F8 H8 N2 O24 P8 -","2","0.125","","Williams, Edward R.; Marshall, Kayleigh; Weller, Mark T.","Copper(ii) chlorofluorophosphate: a new layered square-net for intercalating amines","CrystEngComm","2015","17","1","160","","10.1039/C4CE01126K","","","0.71073","MoKα","","0.2178","0.1203","","","0.1817","0.2272","","","","","","1.183","","","","has coordinates","232771","2020-10-21","18:00:00",""
"7235420","13.9096","0.0006","13.6136","0.0005","19.723","0.001","90","","90","","90","","3734.7","0.3","120","2","120","2","","","","","","","","8","C m c e","-C 2ac 2","64","","","","- C4 H11 Cl Cu4 F4 N2 O12 P4 -","- C4 H11 Cl Cu4 F4 N2 O12.13 P4 -","- C32 H88 Cl8 Cu32 F32 N16 O97.04 P32 -","8","0.5","","Williams, Edward R.; Marshall, Kayleigh; Weller, Mark T.","Copper(ii) chlorofluorophosphate: a new layered square-net for intercalating amines","CrystEngComm","2015","17","1","160","","10.1039/C4CE01126K","","","0.71073","MoKα","","0.135","0.0874","","","0.1577","0.1816","","","","","","1.078","","","","has coordinates","232771","2020-10-21","18:00:00",""
"7235421","13.722","0.0006","13.7879","0.0006","24.8892","0.0009","90","","90","","90","","4709","0.3","120","2","120","2","","","","","","","","8","C m c e","-C 2ac 2","64","","","","- C6 H16 Cl0.25 Cu4 F4 N2 O16.88 P5 -","- C6 H16 Cl0.191 Cu4 F4 N2 O16.923 P5.009 -","- C48 H128 Cl1.528 Cu32 F32 N16 O135.384 P40.072 -","8","0.5","","Williams, Edward R.; Marshall, Kayleigh; Weller, Mark T.","Copper(ii) chlorofluorophosphate: a new layered square-net for intercalating amines","CrystEngComm","2015","17","1","160","","10.1039/C4CE01126K","","","0.71073","MoKα","","0.1477","0.0912","","","0.1514","0.1721","","","","","","1.09","","","","has coordinates","232771","2020-10-21","18:00:00",""
"7235422","10.6406","0.0005","15.5529","0.0008","16.8867","0.0012","66.629","0.003","87.281","0.004","81.087","0.003","2534.1","0.3","123","2","123.15","","","","","","","","","7","P -1","-P 1","2","","","","- C50.75 H33.5 Ag2 B2 Cl5.5 F8 N8 -","- C50.75 H33.5 Ag2 B2 Cl5.5 F8 N8 -","- C101.5 H67 Ag4 B4 Cl11 F16 N16 -","2","1","","Bodman, Samantha E.; Crowther, Anthony C.; Geraghty, Paul B.; Fitchett, Christopher M.","Structural control: can [2 ×2] silver grids be formed from 4,5-disubstituted 3,6-di(2-pyridyl) pyridazines?","CrystEngComm","2015","17","1","81","","10.1039/C4CE01851F","","","0.71073","MoKα","","0.0723","0.0476","","","0.1022","0.114","","","","","","1.023","","","","has coordinates,has disorder","232774","2020-10-21","18:00:00",""
"7235423","10.8963","0.0002","13.6018","0.0004","13.9028","0.0004","109.104","0.003","94.569","0.002","109.486","0.002","1793.81","0.1","120.01","0.1","120.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C26 H29 Ag2 Cl2 F12 N7 P2 -","- C26 H29 Ag2 Cl2 F12 N7 P2 -","- C52 H58 Ag4 Cl4 F24 N14 P4 -","2","1","","Bodman, Samantha E.; Crowther, Anthony C.; Geraghty, Paul B.; Fitchett, Christopher M.","Structural control: can [2 ×2] silver grids be formed from 4,5-disubstituted 3,6-di(2-pyridyl) pyridazines?","CrystEngComm","2015","17","1","81","","10.1039/C4CE01851F","","","0.71073","MoKα","","0.0377","0.0325","","","0.0859","0.0902","","","","","","1.044","","","","has coordinates","232774","2020-10-21","18:00:00",""
"7235424","17.1919","0.0004","17.6525","0.0005","28.3109","0.0008","90","","90","","90","","8591.8","0.4","293","2","296.15","","","","","","","","","8","C m c e","-C 2ac 2","64","","","","- C79.5 H66 Ag4 Cl2 F12 N18 O12 S4 -","- C79.5 H66 Ag4 Cl2 F12 N18 O12 S4 -","- C318 H264 Ag16 Cl8 F48 N72 O48 S16 -","4","0.25","","Bodman, Samantha E.; Crowther, Anthony C.; Geraghty, Paul B.; Fitchett, Christopher M.","Structural control: can [2 ×2] silver grids be formed from 4,5-disubstituted 3,6-di(2-pyridyl) pyridazines?","CrystEngComm","2015","17","1","81","","10.1039/C4CE01851F","","","0.71073","MoKα","","0.0497","0.0343","","","0.0893","0.0995","","","","","","1.052","","","","has coordinates,has disorder","232774","2020-10-21","18:00:00",""
"7235425","8.0993","0.0004","9.7117","0.0004","11.2515","0.0005","87.315","0.003","86.505","0.003","68.644","0.002","822.43","0.07","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C17 H14 Ag Cl N4 O4 -","- C17 H14 Ag Cl N4 O4 -","- C34 H28 Ag2 Cl2 N8 O8 -","2","1","","Bodman, Samantha E.; Crowther, Anthony C.; Geraghty, Paul B.; Fitchett, Christopher M.","Structural control: can [2 ×2] silver grids be formed from 4,5-disubstituted 3,6-di(2-pyridyl) pyridazines?","CrystEngComm","2015","17","1","81","","10.1039/C4CE01851F","","","0.71073","MoKα","","0.0504","0.0358","","","0.0857","0.0923","","","","","","1.039","","","","has coordinates","232774","2020-10-21","18:00:00",""
"7235426","8.568","0.0003","26.1905","0.0008","8.6188","0.0002","90","","95.015","0.002","90","","1926.66","0.1","296","2","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17.5 H14 Ag Cl F6 N4 P -","- C17.5 H14 Ag Cl F6 N4 P -","- C70 H56 Ag4 Cl4 F24 N16 P4 -","4","1","","Bodman, Samantha E.; Crowther, Anthony C.; Geraghty, Paul B.; Fitchett, Christopher M.","Structural control: can [2 ×2] silver grids be formed from 4,5-disubstituted 3,6-di(2-pyridyl) pyridazines?","CrystEngComm","2015","17","1","81","","10.1039/C4CE01851F","","","0.71073","MoKα","","0.0507","0.0381","","","0.0907","0.0977","","","","","","1.078","","","","has coordinates,has disorder","232774","2020-10-21","18:00:00",""
"7235427","23.76695","0.00015","13.12396","0.00009","25.0971","0.00017","90","","102.564","0.0007","90","","7640.75","0.09","120.01","0.1","120.01","0.1","","","","","","","","8","P 1 2/n 1","-P 2yac","13","","","","- C70 H62 Ag4 B4 Cl4 F16 N16 O -","- C70 H62 Ag4 B4 Cl4 F16 N16 O -","- C280 H248 Ag16 B16 Cl16 F64 N64 O4 -","4","1","","Bodman, Samantha E.; Crowther, Anthony C.; Geraghty, Paul B.; Fitchett, Christopher M.","Structural control: can [2 ×2] silver grids be formed from 4,5-disubstituted 3,6-di(2-pyridyl) pyridazines?","CrystEngComm","2015","17","1","81","","10.1039/C4CE01851F","","","1.54184","CuKα","","0.0691","0.0586","","","0.1558","0.1671","","","","","","1.042","","","","has coordinates,has disorder","232774","2020-10-21","18:00:00",""
"7235428","7.7294","0.00014","13.2469","0.0002","15.3754","0.0003","78.217","0.0015","81.8669","0.0014","77.2006","0.0015","1495.17","0.05","120.02","0.1","120.02","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C34 H28 Ag B F4 N8 -","- C34 H28 Ag B F4 N8 -","- C68 H56 Ag2 B2 F8 N16 -","2","1","","Bodman, Samantha E.; Crowther, Anthony C.; Geraghty, Paul B.; Fitchett, Christopher M.","Structural control: can [2 ×2] silver grids be formed from 4,5-disubstituted 3,6-di(2-pyridyl) pyridazines?","CrystEngComm","2015","17","1","81","","10.1039/C4CE01851F","","","0.71073","MoKα","","0.0336","0.028","","","0.0706","0.0742","","","","","","1.073","","","","has coordinates","232774","2020-10-21","18:00:00",""
"7235429","10.113","0.0006","17.5762","0.001","15.6751","0.001","90","","102.831","0.006","90","","2716.6","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetrabutyl ammonium salt of Naphthyl oxime","","- C27 H45 F N2 O2 -","- C27 H45 F N2 O2 -","- C108 H180 F4 N8 O8 -","4","1","","Tarai, Arup; Baruah, Jubaraj B.","A study on fluoride detection and assembly of hydroxyaromatic aldoximes caused by tetrabutylammonium fluoride","CrystEngComm","2015","17","11","2301","","10.1039/C4CE02311K","","","0.71073","MoKα","","0.112","0.0686","","","0.1729","0.2015","","","","","","1.051","","","","has coordinates","232779","2020-10-21","18:00:00",""
"7235430","16.2317","0.0007","9.6547","0.0004","20.2299","0.0008","90","","99.931","0.003","90","","3122.8","0.2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2 4 dihydroxy aromatic aldoxime","","- C30 H49 N3 O6 -","- C30 H49 N3 O6 -","- C120 H196 N12 O24 -","4","0.5","","Tarai, Arup; Baruah, Jubaraj B.","A study on fluoride detection and assembly of hydroxyaromatic aldoximes caused by tetrabutylammonium fluoride","CrystEngComm","2015","17","11","2301","","10.1039/C4CE02311K","","","0.71073","MoKα","","0.1135","0.0736","","","0.1531","0.1636","","","","","","1.048","","","","has coordinates","232779","2020-10-21","18:00:00",""
"7235431","9.5189","0.0007","9.4321","0.0007","18.7965","0.0014","90","","101.203","0.004","90","","1655.5","0.2","296","2","296","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C30 H50 F N3 O6 -","- C30 H50 F N3 O6 -","- C60 H100 F2 N6 O12 -","2","1","","Tarai, Arup; Baruah, Jubaraj B.","A study on fluoride detection and assembly of hydroxyaromatic aldoximes caused by tetrabutylammonium fluoride","CrystEngComm","2015","17","11","2301","","10.1039/C4CE02311K","","","0.71073","MoKα","","0.056","0.0383","","","0.0919","0.1024","","","","","","1.029","","","","has coordinates","232779","2020-10-21","18:00:00",""
"7235875","13.464","0.0006","13.6873","0.0006","17.0771","0.0006","107.657","0.004","95.015","0.003","95.481","0.003","2962.5","0.2","170","2","170.15","","","","","","","","","5","P -1","-P 1","2","","","","- C65 H67 Cl3 N6 O8 -","- C65 H67 Cl3 N6 O8 -","- C130 H134 Cl6 N12 O16 -","2","1","","Tero, Tiia-Riikka; Salorinne, Kirsi; Malola, Sami; Häkkinen, Hannu; Nissinen, Maija","Solid state halogen bonded networks vs. dynamic assemblies in solution: explaining N⋯X interactions of multivalent building blocks","CrystEngComm","2015","17","43","8231","","10.1039/C5CE01144B","","","0.71073","MoKα","","0.1178","0.0794","","","0.2113","0.2483","","","","","","1.026","","","","has coordinates,has disorder","233419","2020-10-21","18:00:00",""
"7235876","13.5142","0.0006","14.6744","0.0007","17.3471","0.0007","95.199","0.004","94.142","0.003","110.327","0.004","3192.8","0.3","170","2","170.15","","","","","","","","","6","P -1","-P 1","2","","","","- C63 H60 Cl9 D3 N4 O8 -","- C63 H62.998 Cl8.994 N4 O8 -","- C126 H125.996 Cl17.988 N8 O16 -","2","1","","Tero, Tiia-Riikka; Salorinne, Kirsi; Malola, Sami; Häkkinen, Hannu; Nissinen, Maija","Solid state halogen bonded networks vs. dynamic assemblies in solution: explaining N⋯X interactions of multivalent building blocks","CrystEngComm","2015","17","43","8231","","10.1039/C5CE01144B","","x-ray","0.71073","MoKα","","0.1888","0.0995","","","0.2709","0.3386","","","","","","1.043","","","","has coordinates,has disorder","233419","2020-10-21","18:00:00",""
"7235877","13.4616","0.0002","14.1115","0.0003","15.8347","0.0004","109.783","0.002","93.681","0.0016","99.7937","0.0016","2765.08","0.11","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C63 H72 N4 O11 -","- C63 H72 N4 O11 -","- C126 H144 N8 O22 -","2","1","","Tero, Tiia-Riikka; Salorinne, Kirsi; Malola, Sami; Häkkinen, Hannu; Nissinen, Maija","Solid state halogen bonded networks vs. dynamic assemblies in solution: explaining N⋯X interactions of multivalent building blocks","CrystEngComm","2015","17","43","8231","","10.1039/C5CE01144B","","x-ray","1.54184","CuKα","","0.0593","0.0526","","","0.1444","0.1524","","","","","","1.021","","","","has coordinates","233419","2020-10-21","18:00:00",""
"7235878","13.1236","0.0004","32.8276","0.0008","13.3088","0.0004","90","","92.373","0.003","90","","5728.7","0.3","173","2","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C63 H67 Cl3 N4 O9 -","- C63 H67 Cl3 N4 O9 -","- C252 H268 Cl12 N16 O36 -","4","1","","Tero, Tiia-Riikka; Salorinne, Kirsi; Malola, Sami; Häkkinen, Hannu; Nissinen, Maija","Solid state halogen bonded networks vs. dynamic assemblies in solution: explaining N⋯X interactions of multivalent building blocks","CrystEngComm","2015","17","43","8231","","10.1039/C5CE01144B","","","0.71073","MoKα","","0.1307","0.0815","","","0.2186","0.2609","","","","","","1.035","","","","has coordinates,has disorder","233419","2020-10-21","18:00:00",""
"7235879","13.0454","0.0003","13.7948","0.0005","20.6219","0.0007","88.043","0.003","82.996","0.002","84.693","0.002","3666.6","0.2","170","2","170.15","0.02","","","","","","","","8","P -1","-P 1","2","","","","- C70 H60 Cl3 D F6 I3 N4 O8 -","- C70 H61 Cl3 F6 I3 N4 O8 -","- C140 H122 Cl6 F12 I6 N8 O16 -","2","1","","Tero, Tiia-Riikka; Salorinne, Kirsi; Malola, Sami; Häkkinen, Hannu; Nissinen, Maija","Solid state halogen bonded networks vs. dynamic assemblies in solution: explaining N⋯X interactions of multivalent building blocks","CrystEngComm","2015","17","43","8231","","10.1039/C5CE01144B","","x-ray","0.71073","MoKα","","0.0532","0.0397","","","0.0877","0.0935","","","","","","1.027","","","","has coordinates","233419","2020-10-21","18:00:00",""
"7235880","11.07141","0.00013","44.297","0.0007","15.7761","0.0004","90","","90","","90","","7737.1","0.2","170","2","170.15","","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C37 H31 Cl3 F4 I2 N2 O4 -","- C37 H31 Cl3 F4 I2 N2 O4 -","- C296 H248 Cl24 F32 I16 N16 O32 -","8","1","","Tero, Tiia-Riikka; Salorinne, Kirsi; Malola, Sami; Häkkinen, Hannu; Nissinen, Maija","Solid state halogen bonded networks vs. dynamic assemblies in solution: explaining N⋯X interactions of multivalent building blocks","CrystEngComm","2015","17","43","8231","","10.1039/C5CE01144B","","x-ray","0.71073","MoKα","","0.0698","0.0485","","","0.0973","0.1055","","","","","","1.106","","","","has coordinates","233419","2020-10-21","18:00:00",""
"7235881","17.624","0.0011","11.8156","0.0007","26.146","0.0013","90","","116.317","0.003","90","","4880.3","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H45 Cd2 N9 O13 -","- C50 H45 Cd2 N9 O13 -","- C200 H180 Cd8 N36 O52 -","4","1","","Xu, Guo-Wang; Wu, Ya-Pan; Wang, Hai-Bing; Wang, Ye-Nan; Li, Dong-Sheng; Liu, Yun-Ling","Unique topological motifs in two Cd(ii)-coordination polymers: mutual-embedded 2D bilayers, 3D polythreaded structures, self-penetrated networks and 2D →2D interpenetrated homochiral bilayers","CrystEngComm","2015","17","47","9055","","10.1039/C5CE01648G","","","0.71073","MoKα","","0.0423","0.0345","","","0.0872","0.0919","","","","","","1.02","","","","has coordinates","233422","2020-10-21","18:00:00",""
"7235882","21.234","0.009","15.744","0.006","16.213","0.007","90","","113.443","0.004","90","","4973","4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H28 Cd N2 O9 -","- C23 H28 Cd N2 O9 -","- C184 H224 Cd8 N16 O72 -","8","1","","Xu, Guo-Wang; Wu, Ya-Pan; Wang, Hai-Bing; Wang, Ye-Nan; Li, Dong-Sheng; Liu, Yun-Ling","Unique topological motifs in two Cd(ii)-coordination polymers: mutual-embedded 2D bilayers, 3D polythreaded structures, self-penetrated networks and 2D →2D interpenetrated homochiral bilayers","CrystEngComm","2015","17","47","9055","","10.1039/C5CE01648G","","","0.71073","MoKα","","0.1457","0.0867","","","0.2204","0.2975","","","","","","1.065","","","","has coordinates","233422","2020-10-21","18:00:00",""
"7236160","14.0408","0.0005","7.0121","0.0002","18.5908","0.0006","90","","90","","90","","1830.37","0.1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H16 Cl2 Cu N4 -","- C18 H16 Cl2 Cu N4 -","- C72 H64 Cl8 Cu4 N16 -","4","0.5","","Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvent-dependent access to mono- and dinuclear copper(ii) assemblies based on a flexible imidazole ligand","CrystEngComm","2016","18","25","4733","","10.1039/C6CE00445H","","","0.71073","MoKα","","0.0318","0.0256","","","0.0641","0.0681","","","","","","1.08","","","","has coordinates","234702","2020-10-21","18:00:00",""
"7236161","12.4401","0.0002","11.2487","0.0002","15.3872","0.0003","90","","93.715","0.002","90","","2148.68","0.07","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H46 Cu2 N10 O10 -","- C40 H46 Cu2 N10 O10 -","- C80 H92 Cu4 N20 O20 -","2","0.5","","Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvent-dependent access to mono- and dinuclear copper(ii) assemblies based on a flexible imidazole ligand","CrystEngComm","2016","18","25","4733","","10.1039/C6CE00445H","","","0.71073","MoKα","","0.0301","0.0258","","","0.0696","0.0706","","","","","","1.042","","","","has coordinates","234702","2020-10-21","18:00:00",""
"7236162","18.3728","0.0003","12.264","0.0002","15.3996","0.0002","90","","96.439","0.002","90","","3448.01","0.09","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C36 H32 Cu N10 O6 -","- C36 H32 Cu N10 O6 -","- C144 H128 Cu4 N40 O24 -","4","1","","Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvent-dependent access to mono- and dinuclear copper(ii) assemblies based on a flexible imidazole ligand","CrystEngComm","2016","18","25","4733","","10.1039/C6CE00445H","","","0.71073","MoKα","","0.0383","0.0336","","","0.0767","0.0794","","","","","","1.06","","","","has coordinates","234702","2020-10-21","18:00:00",""
"7236163","7.8022","0.0002","22.6506","0.0006","11.4896","0.0003","90","","92.226","0.002","90","","2028.96","0.09","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H38 Cl2 Cu2 N8 O10 -","- C38 H38 Cl2 Cu2 N8 O10 -","- C76 H76 Cl4 Cu4 N16 O20 -","2","0.5","","Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvent-dependent access to mono- and dinuclear copper(ii) assemblies based on a flexible imidazole ligand","CrystEngComm","2016","18","25","4733","","10.1039/C6CE00445H","","","0.71073","MoKα","","0.0427","0.0343","","","0.0763","0.0811","","","","","","1.059","","","","has coordinates","234702","2020-10-21","18:00:00",""
"7236164","17.4049","0.0009","17.5945","0.001","11.9876","0.0007","90","","90","","90","","3671","0.4","100","2","100","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C36 H32 Cl2 Cu N8 O8 -","- C36 H32 Cl2 Cu N8 O8 -","- C144 H128 Cl8 Cu4 N32 O32 -","4","0.5","","Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvent-dependent access to mono- and dinuclear copper(ii) assemblies based on a flexible imidazole ligand","CrystEngComm","2016","18","25","4733","","10.1039/C6CE00445H","","","0.71073","MoKα","","0.0355","0.0317","","","0.0762","0.0787","","","","","","1.053","","","","has coordinates","234702","2020-10-21","18:00:00",""
"7236165","11.2175","0.0006","27.351","0.002","12.9381","0.0009","90","","99.598","0.006","90","","3914","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H38 Cu2 F6 N8 O2 Si -","- C38 H38 Cu2 F6 N8 O2 Si -","- C152 H152 Cu8 F24 N32 O8 Si4 -","4","1","","Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvent-dependent access to mono- and dinuclear copper(ii) assemblies based on a flexible imidazole ligand","CrystEngComm","2016","18","25","4733","","10.1039/C6CE00445H","","","1.5418","CuKα","","0.0501","0.035","","","0.0805","0.0877","","","","","","1.017","","","","has coordinates,has disorder","234702","2020-10-21","18:00:00",""
"7236166","10.6138","0.0002","11.0181","0.0002","16.4294","0.0004","90","","100.83","0.002","90","","1887.1","0.07","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H32 Cu2 N8 O8 S2 -","- C36 H32 Cu2 N8 O8 S2 -","- C72 H64 Cu4 N16 O16 S4 -","2","0.5","","Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvent-dependent access to mono- and dinuclear copper(ii) assemblies based on a flexible imidazole ligand","CrystEngComm","2016","18","25","4733","","10.1039/C6CE00445H","","","0.71073","MoKα","","0.0417","0.0339","","","0.0772","0.0823","","","","","","1.059","","","","has coordinates","234702","2020-10-21","18:00:00",""
"7236167","4.6147","0.0006","6.5781","0.0012","12.9004","0.0016","90","","90.418","0.009","90","","391.59","0.1","223","1","223","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","methyl urea","","","- C2 H6 N2 O -","- C2 H6 N2 O -","- C8 H24 N8 O4 -","4","1","","Baaklini, G.; Gbabode, G.; Clevers, S.; Négrier, P.; Mondieig, D.; Coquerel, G.","Trimorphism of N-methylurea: crystal structures, phase transitions and thermodynamic stabilities","CrystEngComm","2016","18","25","4772","","10.1039/C6CE00652C","","x-ray","1.54056","CuKα~1~","","","","","","0.0731","","","","","","","","","","","has coordinates","234705","2020-10-21","18:00:00",""
"7236168","4.6604","0.0003","7.4079","0.0007","10.4566","0.0006","90","","92.007","0.004","90","","360.78","0.05","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","methyl urea","","","- C2 H6 N2 O -","- C2 H6 N2 O -","- C8 H24 N8 O4 -","4","1","","Baaklini, G.; Gbabode, G.; Clevers, S.; Négrier, P.; Mondieig, D.; Coquerel, G.","Trimorphism of N-methylurea: crystal structures, phase transitions and thermodynamic stabilities","CrystEngComm","2016","18","25","4772","","10.1039/C6CE00652C","","x-ray","1.54056","CuKα~1~","","","","","","0.1058","","","","","","","","","","","has coordinates","234705","2020-10-21","18:00:00",""
"7236169","10.5995","0.0002","12.1967","0.0003","16.3411","0.0004","98.732","0.002","107.645","0.002","109.102","0.002","1826.92","0.09","288.53","0.1","288.53","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C68 H56 Co7 N10 O39 -","- C68 H52 Co7 N10 O39 -","- C68 H52 Co7 N10 O39 -","1","0.5","","Xu, Yu-Ci; Chen, Yu; Qiu, Hai-Jiang; Zeng, Xiao-Shan; Xu, Hui-Ling; Li, Jie; Zeng, Yong-Fei; Xiao, Dong-Rong","Metal nuclearity affects network connectivity: a series of highly connected metal‒organic frameworks based on polynuclear metal clusters as secondary building units","CrystEngComm","2016","18","42","8182","","10.1039/C6CE01287F","","x-ray","1.54184","CuKα","","0.0473","0.0349","","","0.0799","0.0854","","","","","","1.027","","","","has coordinates,has disorder","234710","2020-10-21","18:00:00",""
"7236170","11.8454","0.00014","28.3935","0.0003","34.5364","0.0003","90","","90","","90","","11615.7","0.2","291.57","0.1","291.57","0.1","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C52 H50 N8 Ni5 O30 -","- C52 H50 N8 Ni5 O30 -","- C416 H400 N64 Ni40 O240 -","8","0.5","","Xu, Yu-Ci; Chen, Yu; Qiu, Hai-Jiang; Zeng, Xiao-Shan; Xu, Hui-Ling; Li, Jie; Zeng, Yong-Fei; Xiao, Dong-Rong","Metal nuclearity affects network connectivity: a series of highly connected metal‒organic frameworks based on polynuclear metal clusters as secondary building units","CrystEngComm","2016","18","42","8182","","10.1039/C6CE01287F","","","1.54184","CuKα","","0.0506","0.0486","","","0.1337","0.1355","","","","","","1.086","","","","has coordinates,has disorder","234710","2020-10-21","18:00:00",""
"7236171","9.6379","0.0004","10.2081","0.0003","12.1115","0.0005","112.98","0.003","99.703","0.003","95.828","0.003","1062.79","0.08","290.88","0.19","290.88","0.19","","","","","","","","5","P -1","-P 1","2","","","","- C42 H24 N6 O19 Zn3 -","- C42 H24 N6 O19 Zn3 -","- C42 H24 N6 O19 Zn3 -","1","0.5","","Xu, Yu-Ci; Chen, Yu; Qiu, Hai-Jiang; Zeng, Xiao-Shan; Xu, Hui-Ling; Li, Jie; Zeng, Yong-Fei; Xiao, Dong-Rong","Metal nuclearity affects network connectivity: a series of highly connected metal‒organic frameworks based on polynuclear metal clusters as secondary building units","CrystEngComm","2016","18","42","8182","","10.1039/C6CE01287F","","x-ray","1.54184","CuKα","","0.0483","0.0467","","","0.143","0.1445","","","","","","1.103","","","","has coordinates,has disorder","234710","2020-10-21","18:00:00",""
"7236172","9.67809","0.00016","10.27573","0.00015","11.9152","0.0002","112.179","0.0015","101.863","0.0014","93.0017","0.0013","1062.75","0.03","288.53","0.1","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H30 N6 O19 Zn3 -","- C45 H30 N6 O19 Zn3 -","- C45 H30 N6 O19 Zn3 -","1","0.5","","Xu, Yu-Ci; Chen, Yu; Qiu, Hai-Jiang; Zeng, Xiao-Shan; Xu, Hui-Ling; Li, Jie; Zeng, Yong-Fei; Xiao, Dong-Rong","Metal nuclearity affects network connectivity: a series of highly connected metal‒organic frameworks based on polynuclear metal clusters as secondary building units","CrystEngComm","2016","18","42","8182","","10.1039/C6CE01287F","","","1.54184","CuKα","","0.0318","0.0316","","","0.0797","0.0798","","","","","","1.108","","","","has coordinates,has disorder","234710","2020-10-21","18:00:00",""
"7236173","9.8669","0.0002","10.425","0.0002","12.4397","0.0003","111.316","0.0019","102.568","0.0018","93.8625","0.0017","1148.29","0.05","290.56","0.17","290.56","0.17","","","","","","","","5","P -1","-P 1","2","","","","- C36 H34 Cd3 N6 O21 -","- C36 H34 Cd3 N6 O21 -","- C36 H34 Cd3 N6 O21 -","1","0.5","","Xu, Yu-Ci; Chen, Yu; Qiu, Hai-Jiang; Zeng, Xiao-Shan; Xu, Hui-Ling; Li, Jie; Zeng, Yong-Fei; Xiao, Dong-Rong","Metal nuclearity affects network connectivity: a series of highly connected metal‒organic frameworks based on polynuclear metal clusters as secondary building units","CrystEngComm","2016","18","42","8182","","10.1039/C6CE01287F","","x-ray","1.54184","CuKα","","0.0352","0.0342","","","0.1097","0.1106","","","","","","1.131","","","","has coordinates","234710","2020-10-21","18:00:00",""
"7236174","9.6701","0.0002","10.2782","0.0002","11.9406","0.0003","112.322","0.002","101.936","0.002","92.9815","0.0019","1062.89","0.05","288.85","0.12","288.85","0.12","","","","","","","","5","P -1","-P 1","2","","","","- C45 H30 Co3 N6 O19 -","- C45 H30 Co3 N6 O19 -","- C45 H30 Co3 N6 O19 -","1","0.5","","Xu, Yu-Ci; Chen, Yu; Qiu, Hai-Jiang; Zeng, Xiao-Shan; Xu, Hui-Ling; Li, Jie; Zeng, Yong-Fei; Xiao, Dong-Rong","Metal nuclearity affects network connectivity: a series of highly connected metal‒organic frameworks based on polynuclear metal clusters as secondary building units","CrystEngComm","2016","18","42","8182","","10.1039/C6CE01287F","","x-ray","1.54184","CuKα","","0.0454","0.0396","","","0.097","0.1004","","","","","","1.054","","","","has coordinates,has disorder","234710","2020-10-21","18:00:00",""
"7236175","9.7826","0.0002","10.3101","0.0002","12.1333","0.0003","112.088","0.002","101.488","0.002","94.1132","0.0018","1096.65","0.05","289.03","0.1","289.03","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C42 H26 Mn3 N6 O20 -","- C42 H26 Mn3 N6 O20 -","- C42 H26 Mn3 N6 O20 -","1","0.5","","Xu, Yu-Ci; Chen, Yu; Qiu, Hai-Jiang; Zeng, Xiao-Shan; Xu, Hui-Ling; Li, Jie; Zeng, Yong-Fei; Xiao, Dong-Rong","Metal nuclearity affects network connectivity: a series of highly connected metal‒organic frameworks based on polynuclear metal clusters as secondary building units","CrystEngComm","2016","18","42","8182","","10.1039/C6CE01287F","","x-ray","1.54184","CuKα","","0.044","0.0425","","","0.1281","0.1298","","","","","","1.112","","","","has coordinates,has disorder","234710","2020-10-21","18:00:00",""
"7236176","8.6354","0.0003","21.9273","0.0007","18.4048","0.0006","90","","108.339","0.003","90","","3308","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H21 Co N5 O6 -","- C32 H21 Co N5 O6 -","- C128 H84 Co4 N20 O24 -","4","1","","Wang, Xiao-Xiao; Wang, Xiao-Qing; Niu, Xiao-Yan; Hu, Tuo-Ping","Three novel metal‒organic frameworks based on an unsymmetrical rigid carboxylate ligand for luminescence sensing of nitrobenzene derivatives and magnetic properties","CrystEngComm","2016","18","39","7471","","10.1039/C6CE01457G","","","0.71073","MoKα","","0.1576","0.0648","","","0.1459","0.1823","","","","","","0.963","","","","has coordinates","234713","2020-10-21","18:00:00",""
"7236177","31.98","0.03","7.904","0.007","26.8","0.03","90","","90","","90","","6774","12","296","2","296.15","","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C64 H42 Cd3 N10 O13 -","- C64 H42 Cd3 N10 O13 -","- C256 H168 Cd12 N40 O52 -","4","0.5","","Wang, Xiao-Xiao; Wang, Xiao-Qing; Niu, Xiao-Yan; Hu, Tuo-Ping","Three novel metal‒organic frameworks based on an unsymmetrical rigid carboxylate ligand for luminescence sensing of nitrobenzene derivatives and magnetic properties","CrystEngComm","2016","18","39","7471","","10.1039/C6CE01457G","","","0.71073","MoKα","","0.0488","0.0458","","","0.0989","0.0999","","","","","","1.105","","","","has coordinates","234713","2020-10-21","18:00:00",""
"7236178","9.856","0.007","10.988","0.008","17.309","0.013","80.255","0.007","75.531","0.006","86.663","0.007","1789","2","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C82 H58 Mn3 N14 O16 -","- C82 H58 Mn3 N14 O16 -","- C82 H58 Mn3 N14 O16 -","1","0.5","","Wang, Xiao-Xiao; Wang, Xiao-Qing; Niu, Xiao-Yan; Hu, Tuo-Ping","Three novel metal‒organic frameworks based on an unsymmetrical rigid carboxylate ligand for luminescence sensing of nitrobenzene derivatives and magnetic properties","CrystEngComm","2016","18","39","7471","","10.1039/C6CE01457G","","","0.71073","MoKα","","0.1393","0.0596","","","0.1075","0.134","","","","","","0.965","","","","has coordinates,has disorder","234713","2020-10-21","18:00:00",""
"7236179","23.751","0.003","30.607","0.004","23.764","0.003","90","","90","","90","","17275","4","100","2","100","2","","","","","","","","7","C c c a :2","-C 2a 2ac","68","","","","- C39 H35 Cd2 Cl5 Cr3 N7 O16 -","- C39 H31 Cd2 Cl5 Cr3 N7 O16 -","- C312 H248 Cd16 Cl40 Cr24 N56 O128 -","8","0.5","","Yang, Qing-Yuan; Chen, Kai-Jie; Schoedel, Alexander; Wojtas, Lukasz; Perry IV, John J.; Zaworotko, Michael J.","Network diversity through two-step crystal engineering of a decorated 6-connected primary molecular building block","CrystEngComm","2016","18","44","8578","","10.1039/C6CE01544A","","","0.71073","MoKα","","0.1758","0.0939","","","0.2555","0.3387","","","","","","1.066","","","","has coordinates,has disorder","234716","2020-10-21","18:00:00",""
"7236180","20.772","0.009","20.772","0.009","21.053","0.001","90","","90","","120","","7867","5","100","2","100","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C36 H54 Cr3 Cu3 N13 O49 -","- C36 H24 Cr3 Cu3 N6 O28 -","- C72 H48 Cr6 Cu6 N12 O56 -","2","0.166667","","Yang, Qing-Yuan; Chen, Kai-Jie; Schoedel, Alexander; Wojtas, Lukasz; Perry IV, John J.; Zaworotko, Michael J.","Network diversity through two-step crystal engineering of a decorated 6-connected primary molecular building block","CrystEngComm","2016","18","44","8578","","10.1039/C6CE01544A","","","1.54178","CuKα","","0.0887","0.0726","","","0.2137","0.2411","","","","","","1.089","","","","has coordinates","234716","2020-10-21","18:00:00",""
"7236181","20.608","0.002","20.608","0.002","22.35","0.002","90","","90","","90","","9491.8","1.6","100","2","100","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C46 H70 Cd2 Cr3 N11 O41 -","- C46 H51 Cd2 Cr3 N10 O38 -","- C184 H204 Cd8 Cr12 N40 O152 -","4","0.5","","Yang, Qing-Yuan; Chen, Kai-Jie; Schoedel, Alexander; Wojtas, Lukasz; Perry IV, John J.; Zaworotko, Michael J.","Network diversity through two-step crystal engineering of a decorated 6-connected primary molecular building block","CrystEngComm","2016","18","44","8578","","10.1039/C6CE01544A","","","0.41328","synchrotron","","0.0738","0.0562","","","0.1568","0.1716","","","","","","1.103","","","","has coordinates,has disorder","234716","2020-10-21","18:00:00",""
"7236182","21.6177","0.0006","21.6177","0.0006","61.464","0.004","90","","90","","120","","24875.4","1.9","100","2","100.11","","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C117 H155 Cl14 Cr6 Cu6 N27 O42 -","- C117 H153 Cl13.9998 Cr6 Cu6 N27 O41.9999 -","- C702 H918 Cl83.9988 Cr36 Cu36 N162 O251.999 -","6","0.166667","","Yang, Qing-Yuan; Chen, Kai-Jie; Schoedel, Alexander; Wojtas, Lukasz; Perry IV, John J.; Zaworotko, Michael J.","Network diversity through two-step crystal engineering of a decorated 6-connected primary molecular building block","CrystEngComm","2016","18","44","8578","","10.1039/C6CE01544A","","","1.54178","CuKα","","0.0742","0.0634","","","0.1631","0.1695","","","","","","1.105","","","","has coordinates,has disorder","234716","2020-10-21","18:00:00",""
"7236183","22.045","0.002","22.045","0.002","21.768","0.002","90","","90","","120","","9161.6","1.4","100","2","100.15","","","","","","","","","7","P 63/m c m","-P 6c 2","193","","","","- C78 H84 Cl6 Cr6 Mn3 N14 O44 -","- C78 H48 Cl6 Cr6 Mn3 N12 O38 -","- C156 H96 Cl12 Cr12 Mn6 N24 O76 -","2","0.0833333","","Yang, Qing-Yuan; Chen, Kai-Jie; Schoedel, Alexander; Wojtas, Lukasz; Perry IV, John J.; Zaworotko, Michael J.","Network diversity through two-step crystal engineering of a decorated 6-connected primary molecular building block","CrystEngComm","2016","18","44","8578","","10.1039/C6CE01544A","","","0.41328","synchrotron","","0.0961","0.0601","","","0.1945","0.2415","","","","","","1.079","","","","has coordinates,has disorder","234716","2020-10-21","18:00:00",""
"7236488","32.4215","0.0006","9.5567","0.0002","25.2788","0.0004","90","","90","","90","","7832.4","0.3","173","2","173","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C80 H66 Br4 N14 O8 Zn2 -","- C80 H66 Br4 N14 O8 Zn2 -","- C320 H264 Br16 N56 O32 Zn8 -","4","0.25","","Lee, Jeong Jun; Choi, Daye; Lee, Haeri; Jung, Ok-Sang","Coordination-cyclodimeric array containing both channels and cages: photoluminescence recognition of diiodomethane","CrystEngComm","2017","19","23","3117","","10.1039/C7CE00616K","","","0.71073","MoKα","","0.1249","0.0873","","","0.2458","0.2892","","","","","","1.024","","","","has coordinates","235610","2020-10-21","18:00:00",""
"7236489","32.2944","0.0008","9.5094","0.0002","25.206","0.0006","90","","90","","90","","7740.8","0.3","173","2","173","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C80 H66 Cl4 N14 O8 Zn2 -","- C80 H62 Cl4 N14 O8 Zn2 -","- C320 H248 Cl16 N56 O32 Zn8 -","4","0.25","","Lee, Jeong Jun; Choi, Daye; Lee, Haeri; Jung, Ok-Sang","Coordination-cyclodimeric array containing both channels and cages: photoluminescence recognition of diiodomethane","CrystEngComm","2017","19","23","3117","","10.1039/C7CE00616K","","","0.71073","MoKα","","0.0977","0.0681","","","0.1963","0.2219","","","","","","1.052","","","","has coordinates","235610","2020-10-21","18:00:00",""
"7236490","32.2573","0.0004","9.3547","0.0001","25.2417","0.0003","90","","90","","90","","7616.87","0.15","173","2","173","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C76 H60 I4 N12 O8 Zn2 -","- C76 H60 I4 N12 O8 Zn2 -","- C304 H240 I16 N48 O32 Zn8 -","4","0.25","","Lee, Jeong Jun; Choi, Daye; Lee, Haeri; Jung, Ok-Sang","Coordination-cyclodimeric array containing both channels and cages: photoluminescence recognition of diiodomethane","CrystEngComm","2017","19","23","3117","","10.1039/C7CE00616K","","","0.71073","MoKα","","0.092","0.0726","","","0.2108","0.2358","","","","","","1.049","","","","has coordinates,has disorder","235610","2020-10-21","18:00:00",""
"7236491","13.068","0.002","8.854","0.002","18.676","0.004","90","","90","","90","","2160.9","0.7","353","2","353","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C12 H14 B2 Fe N18 -","- C12 H14 B2 Fe N18 -","- C48 H56 B8 Fe4 N72 -","4","0.5","","Rat, S.; Ridier, K.; Vendier, L.; Molnár, G.; Salmon, L.; Bousseksou, A.","Solvatomorphism and structural-spin crossover property relationship in bis[hydrotris(1,2,4-triazol-1-yl)borate]iron(ii)","CrystEngComm","2017","19","24","3271","","10.1039/C7CE00741H","","","0.71073","MoKα","","0.0794","0.0628","","","0.1828","0.2155","","","","","","1.043","","","","has coordinates","235612","2020-10-21","18:00:00",""
"7236492","13.3332","0.0004","8.7654","0.0002","17.6823","0.0005","90","","90","","90","","2066.55","0.1","296","2","296","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C12 H14 B2 Fe N18 -","- C12 H14 B2 Fe N18 -","- C48 H56 B8 Fe4 N72 -","4","0.5","","Rat, S.; Ridier, K.; Vendier, L.; Molnár, G.; Salmon, L.; Bousseksou, A.","Solvatomorphism and structural-spin crossover property relationship in bis[hydrotris(1,2,4-triazol-1-yl)borate]iron(ii)","CrystEngComm","2017","19","24","3271","","10.1039/C7CE00741H","","","0.71073","MoKα","","0.0367","0.0267","","","0.0735","0.0802","","","","","","1.026","","","","has coordinates","235612","2020-10-21","18:00:00",""
"7236493","10.914","0.0009","20.5461","0.0015","11.5001","0.0008","90","","90","","90","","2578.8","0.3","293","2","293","2","","","","","","","synthesis as described","6","C m c e","-C 2ac 2","64","","","","- C12 H26 B2 Fe N18 O6 -","- C12 H26 B2 Fe N18 O6 -","- C48 H104 B8 Fe4 N72 O24 -","4","0.25","","Rat, S.; Ridier, K.; Vendier, L.; Molnár, G.; Salmon, L.; Bousseksou, A.","Solvatomorphism and structural-spin crossover property relationship in bis[hydrotris(1,2,4-triazol-1-yl)borate]iron(ii)","CrystEngComm","2017","19","24","3271","","10.1039/C7CE00741H","","","0.71073","MoKα","","0.0476","0.0356","","","0.0884","0.095","","","","","","1.028","","","","has coordinates","235612","2020-10-21","18:00:00",""
"7236494","14.738","0.002","14.738","0.002","12.257","0.003","90","","90","","120","","2305.6","0.7","293","2","293","2","","","","","","","","5","P 62 2 2","P 62 2 (0 0 4)","180","","In-BDC-NH2","","- C12 H8.25 In0.75 N1.5 O6 -","- C12 H8.2503 In0.75 N1.5 O6 -","- C48 H33.0012 In3 N6 O24 -","4","0.333333","","Krüger, Martin; Albat, Martin; Inge, A. Ken; Stock, Norbert","Investigation of the effect of polar functional groups on the crystal structures of indium MOFs","CrystEngComm","2017","19","31","4622","","10.1039/C7CE01067B","","","0.71073","MoKα","","0.0317","0.0281","","","0.0677","0.0682","","","","","","0.966","","","","has coordinates,has disorder","235616","2020-10-21","18:00:00",""
"7236495","6.7","0.0013","9.21","0.0018","15.04","0.003","78.47","0.03","78.31","0.03","89.31","0.03","890.1","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","H2BDC-NH2/NO2","","- C8 H6 N2 O6 -","- C8 H6 N2 O6 -","- C32 H24 N8 O24 -","4","2","","Krüger, Martin; Albat, Martin; Inge, A. Ken; Stock, Norbert","Investigation of the effect of polar functional groups on the crystal structures of indium MOFs","CrystEngComm","2017","19","31","4622","","10.1039/C7CE01067B","","","0.71073","MoKα","","0.0842","0.0586","","","0.1591","0.1801","","","","","","1.026","","","","has coordinates","235616","2020-10-21","18:00:00",""
"7236496","24.8947","0.0001","24.8947","0.0001","24.8947","0.0001","90","","90","","90","","15428.4","0.11","100","2","100","2","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C36 H12 In3 N9 O28 -","- C33 H12 In3 N9 O28 -","- C264 H96 In24 N72 O224 -","8","0.166667","","Krüger, Martin; Albat, Martin; Inge, A. Ken; Stock, Norbert","Investigation of the effect of polar functional groups on the crystal structures of indium MOFs","CrystEngComm","2017","19","31","4622","","10.1039/C7CE01067B","","","0.6889","synchrotron","","0.0343","0.0336","","","0.097","0.0979","","","","","","1.104","","","","has coordinates,has disorder","235616","2020-10-21","18:00:00",""
"7236497","6.0405","0.0002","7.9031","0.0002","17.1183","0.001","95.991","0.004","96.311","0.004","107.186","0.004","767.88","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","[(p-cymene)bis(chlorido)(cytosine-kN4)ruthenium(II)]","","- C14 H19 Cl2 N3 O Ru -","- C14 H19 Cl2 N3 O Ru -","- C28 H38 Cl4 N6 O2 Ru2 -","2","1","","Sce, Fabio; Beobide, Garikoitz; Castillo, Oscar; de Pedro, Imanol; Pérez-Yáñez, Sonia; Reyes, Efraim","Supramolecular architectures based on p-cymene/ruthenium complexes functionalized with nucleobases","CrystEngComm","2017","19","40","6039","","10.1039/C7CE01496A","","","0.71073","MoKα","","0.036","0.03","","","0.0615","0.0645","","","","","","1.068","","","","has coordinates","235620","2020-10-21","18:00:00",""
"7236498","7.621","0.0003","25.8409","0.0008","8.7978","0.0003","90","","113.45","0.005","90","","1589.48","0.11","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[(p-cymene)bis(chlorido)(hypoxanthine-kN9)ruthenium(II)]","","- C15 H18 Cl2 N4 O Ru -","- C15 H18 Cl2 N4 O Ru -","- C60 H72 Cl8 N16 O4 Ru4 -","4","1","","Sce, Fabio; Beobide, Garikoitz; Castillo, Oscar; de Pedro, Imanol; Pérez-Yáñez, Sonia; Reyes, Efraim","Supramolecular architectures based on p-cymene/ruthenium complexes functionalized with nucleobases","CrystEngComm","2017","19","40","6039","","10.1039/C7CE01496A","","","0.71073","MoKα","","0.025","0.0216","","","0.0474","0.0488","","","","","","1.049","","","","has coordinates","235620","2020-10-21","18:00:00",""
"7236499","8.5593","0.0005","10.1279","0.0007","11.1478","0.0008","101.641","0.006","110.181","0.006","99.969","0.005","856.87","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","[(p-cymene)bis(chlorido)(5-aminouracil-kN5)ruthenium(II)]","","- C14 H19 Cl2 N3 O2 Ru -","- C14 H19 Cl2 N3 O2 Ru -","- C28 H38 Cl4 N6 O4 Ru2 -","2","1","","Sce, Fabio; Beobide, Garikoitz; Castillo, Oscar; de Pedro, Imanol; Pérez-Yáñez, Sonia; Reyes, Efraim","Supramolecular architectures based on p-cymene/ruthenium complexes functionalized with nucleobases","CrystEngComm","2017","19","40","6039","","10.1039/C7CE01496A","","","0.71073","MoKα","","0.0289","0.0268","","","0.067","0.0692","","","","","","1.078","","","","has coordinates","235620","2020-10-21","18:00:00",""
"7236500","6.6956","0.0013","15.2432","0.001","17.81","0.003","67.308","0.011","80.069","0.015","89.881","0.009","1647.7","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","[(p-cymene)bis(chlorido)(2-thiouracil-kS2)ruthenium(II)]","","- C14 H18 Cl2 N2 O Ru S -","- C14 H18 Cl2 N2 O Ru S -","- C56 H72 Cl8 N8 O4 Ru4 S4 -","4","2","","Sce, Fabio; Beobide, Garikoitz; Castillo, Oscar; de Pedro, Imanol; Pérez-Yáñez, Sonia; Reyes, Efraim","Supramolecular architectures based on p-cymene/ruthenium complexes functionalized with nucleobases","CrystEngComm","2017","19","40","6039","","10.1039/C7CE01496A","","","0.71073","MoKα","","0.0746","0.0488","","","0.1178","0.1267","","","","","","0.944","","","","has coordinates","235620","2020-10-21","18:00:00",""
"7236501","14.4901","0.0003","14.4901","0.0003","17.3192","0.0007","90","","90","","90","","3636.39","0.18","100","2","100","2","","","","","","","","7","P 42/n :2","-P 4bc","86","","[tetrakis(p-cymene)tetrakis(mu-cytosinato-kN1:kO2,kN3)tetraruthenium(II)] triflate","","- C60 H72 F12 N12 O16 Ru4 S4 -","- C60 H72 F12 N12 O16 Ru4 S4 -","- C120 H144 F24 N24 O32 Ru8 S8 -","2","0.25","","Sce, Fabio; Beobide, Garikoitz; Castillo, Oscar; de Pedro, Imanol; Pérez-Yáñez, Sonia; Reyes, Efraim","Supramolecular architectures based on p-cymene/ruthenium complexes functionalized with nucleobases","CrystEngComm","2017","19","40","6039","","10.1039/C7CE01496A","","","0.71073","MoKα","","0.0685","0.0579","","","0.1379","0.146","","","","","","1.041","","","","has coordinates,has disorder","235620","2020-10-21","18:00:00",""
"7236906","9.5818","0.0003","9.2966","0.0003","29.1439","0.0009","90","","96.654","0.002","90","","2578.6","0.14","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H30 N4 O -","- C30 H30 N4 O -","- C120 H120 N16 O4 -","4","1","","Mathivanan, Moorthy; Tharmalingam, Balamurugan; Lin, Chia-Her; Pandiyan, Baskaran Vijaya; Thiagarajan, Viruthachalam; Murugesapandian, Balasubramanian","ESIPT-active multi-color aggregation-induced emission features of triphenylamine‒salicylaldehyde-based unsymmetrical azine family","CrystEngComm","2020","22","2","213","228","10.1039/C9CE01490J","","","0.71073","MoKα","","0.1542","0.0707","","","0.1926","0.2428","","","","","","1.059","","","","has coordinates","257467","2020-10-21","18:00:00",""
"7236907","9.7349","0.0002","26.4673","0.0004","9.6839","0.0002","90","","110.107","0.001","90","","2343.05","0.08","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H23 N3 O -","- C30 H23 N3 O -","- C120 H92 N12 O4 -","4","1","","Mathivanan, Moorthy; Tharmalingam, Balamurugan; Lin, Chia-Her; Pandiyan, Baskaran Vijaya; Thiagarajan, Viruthachalam; Murugesapandian, Balasubramanian","ESIPT-active multi-color aggregation-induced emission features of triphenylamine‒salicylaldehyde-based unsymmetrical azine family","CrystEngComm","2020","22","2","213","228","10.1039/C9CE01490J","","","0.71073","MoKα","","0.1827","0.048","","","0.096","0.1255","","","","","","0.777","","","","has coordinates","257467","2020-10-21","18:00:00",""
"7236908","9.0523","0.0002","9.4796","0.0003","15.3386","0.0004","101.215","0.002","96.659","0.002","117.266","0.002","1115.46","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H23 N3 O2 -","- C27 H23 N3 O2 -","- C54 H46 N6 O4 -","2","1","","Mathivanan, Moorthy; Tharmalingam, Balamurugan; Lin, Chia-Her; Pandiyan, Baskaran Vijaya; Thiagarajan, Viruthachalam; Murugesapandian, Balasubramanian","ESIPT-active multi-color aggregation-induced emission features of triphenylamine‒salicylaldehyde-based unsymmetrical azine family","CrystEngComm","2020","22","2","213","228","10.1039/C9CE01490J","","","0.71073","MoKα","","0.1179","0.049","","","0.111","0.1356","","","","","","1.015","","","","has coordinates","257467","2020-10-21","18:00:00",""
"7236909","7.4345","0.0006","7.7857","0.0007","18.3205","0.0016","81.464","0.005","87.016","0.005","86.135","0.005","1045.36","0.16","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H21 N3 O -","- C26 H21 N3 O -","- C52 H42 N6 O2 -","2","1","","Mathivanan, Moorthy; Tharmalingam, Balamurugan; Lin, Chia-Her; Pandiyan, Baskaran Vijaya; Thiagarajan, Viruthachalam; Murugesapandian, Balasubramanian","ESIPT-active multi-color aggregation-induced emission features of triphenylamine‒salicylaldehyde-based unsymmetrical azine family","CrystEngComm","2020","22","2","213","228","10.1039/C9CE01490J","","","0.71073","MoKα","","0.087","0.0459","","","0.1293","0.1549","","","","","","0.999","","","","has coordinates","257467","2020-10-21","18:00:00",""
"7236911","23.2883","0.0016","23.2883","0.0016","14.1304","0.0011","90","","90","","120","","6636.8","0.8","298","2","298","2","","","","","","","","5","P -3","-P 3","147","","","","- C60 H60 N4 O50 Pr4 -","- C60 H40 N4 O40 Pr4 -","- C180 H120 N12 O120 Pr12 -","3","0.5","","Gao, Wei; Huang, Hong; Zhou, Ai-Mei; Wei, Han; Liu, Jie-Ping; Zhang, Xiu-Mei","Three 3D LnIII-MOFs based on a nitro-functionalized biphenyltricarboxylate ligand: syntheses, structures, and magnetic properties","CrystEngComm","2020","22","2","267","274","10.1039/C9CE01245A","","","0.71073","MoKα","","0.0489","0.0369","","","0.0888","0.0923","","","","","","1.021","","","","has coordinates","257468","2020-10-21","18:00:00",""
"7236912","13.649","0.006","14.334","0.006","7.994","0.003","90","","92.233","0.016","90","","1562.8","1.1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H9 Gd N O9.5 -","- C16 H9 Gd N O9.5 -","- C64 H36 Gd4 N4 O38 -","4","1","","Gao, Wei; Huang, Hong; Zhou, Ai-Mei; Wei, Han; Liu, Jie-Ping; Zhang, Xiu-Mei","Three 3D LnIII-MOFs based on a nitro-functionalized biphenyltricarboxylate ligand: syntheses, structures, and magnetic properties","CrystEngComm","2020","22","2","267","274","10.1039/C9CE01245A","","","0.71073","MoKα","","0.0238","0.0206","","","0.0435","0.0445","","","","","","1.205","","","","has coordinates,has disorder","257468","2020-10-21","18:00:00",""
"7236913","9.4885","0.0011","9.5857","0.001","12.4176","0.0014","93.605","0.004","108.083","0.004","112.343","0.003","971.8","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H12 Dy N O11 -","- C15 H11 Dy N O11 -","- C30 H22 Dy2 N2 O22 -","2","1","","Gao, Wei; Huang, Hong; Zhou, Ai-Mei; Wei, Han; Liu, Jie-Ping; Zhang, Xiu-Mei","Three 3D LnIII-MOFs based on a nitro-functionalized biphenyltricarboxylate ligand: syntheses, structures, and magnetic properties","CrystEngComm","2020","22","2","267","274","10.1039/C9CE01245A","","","0.71073","MoKα","","0.0368","0.0342","","","0.0954","0.0974","","","","","","1.044","","","","has coordinates,has disorder","257468","2020-10-21","18:00:00",""
"7237064","12.783","0.003","41.28","0.008","8.161","0.0016","90","","90","","90","","4306.4","1.6","296","2","296","2","","","","","","","","5","C m m a","-C 2a 2","67","","","","- C13 H5 Mn N O4 -","- C13 H5 Mn N O4 -","- C208 H80 Mn16 N16 O64 -","16","1","","Su, Feng; Zhou, Cheng-Yong; Han, Chun; Wu, Lin-Tao; Wu, Xi; Sun, Long; Su, Jing; Feng, Si-Si; Lu, Li-Ping; Zhu, Miao-Li","Binuclear Mn2+ complexes of a biphenyltetracarboxylic acid with variable N-donor ligands: syntheses, structures, and magnetic properties","CrystEngComm","2018","20","13","1818","","10.1039/C8CE00058A","","","0.71073","MoKα","","0.0825","0.0682","","","0.2047","0.2418","","","","","","1.008","","","","has coordinates","236787","2020-10-21","18:00:00",""
"7237065","8.6821","0.0006","10.2379","0.0007","12.094","0.0009","68.497","0.002","84.952","0.002","89.683","0.002","995.88","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H38 Mn2 N8 O9 -","- C44 H38 Mn2 N8 O9 -","- C44 H38 Mn2 N8 O9 -","1","0.5","","Su, Feng; Zhou, Cheng-Yong; Han, Chun; Wu, Lin-Tao; Wu, Xi; Sun, Long; Su, Jing; Feng, Si-Si; Lu, Li-Ping; Zhu, Miao-Li","Binuclear Mn2+ complexes of a biphenyltetracarboxylic acid with variable N-donor ligands: syntheses, structures, and magnetic properties","CrystEngComm","2018","20","13","1818","","10.1039/C8CE00058A","","","0.71073","MoKα","","0.0854","0.0505","","","0.1151","0.1292","","","","","","1.015","","","","has coordinates","236787","2020-10-21","18:00:00",""
"7237066","13.2825","0.0007","16.7322","0.001","17.9666","0.0011","90","","90","","90","","3993","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H38 Mn2 N8 O10 -","- C44 H38 Mn2 N8 O10 -","- C176 H152 Mn8 N32 O40 -","4","1","","Su, Feng; Zhou, Cheng-Yong; Han, Chun; Wu, Lin-Tao; Wu, Xi; Sun, Long; Su, Jing; Feng, Si-Si; Lu, Li-Ping; Zhu, Miao-Li","Binuclear Mn2+ complexes of a biphenyltetracarboxylic acid with variable N-donor ligands: syntheses, structures, and magnetic properties","CrystEngComm","2018","20","13","1818","","10.1039/C8CE00058A","","","0.71073","MoKα","","0.1849","0.0684","","","0.0788","0.1016","","","","","","1","","","","has coordinates","236787","2020-10-21","18:00:00",""
"7237067","10.109","0.005","10.461","0.005","12.102","0.006","67.592","0.007","68.056","0.007","84.45","0.007","1095.9","0.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H20 Mn N5 O5 -","- C20 H13 Mn N4 O4 -","- C40 H26 Mn2 N8 O8 -","2","1","","Su, Feng; Zhou, Cheng-Yong; Han, Chun; Wu, Lin-Tao; Wu, Xi; Sun, Long; Su, Jing; Feng, Si-Si; Lu, Li-Ping; Zhu, Miao-Li","Binuclear Mn2+ complexes of a biphenyltetracarboxylic acid with variable N-donor ligands: syntheses, structures, and magnetic properties","CrystEngComm","2018","20","13","1818","","10.1039/C8CE00058A","","","0.71073","MoKα","","0.0541","0.0382","","","0.0878","0.094","","","","","","1.052","","","","has coordinates","236787","2020-10-21","18:00:00",""
"7237068","7.469","0.005","8.644","0.005","10.23","0.007","88.12","0.05","88.89","0.05","71.28","0.06","625.2","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H17 B F4 N2 O2 -","- C8 H17 B F4 N2 O2 -","- C16 H34 B2 F8 N4 O4 -","2","1","","Rok, M.; Szklarz, P.; Bator, G.","Structures and phase transitions in molecular complexes containing tetrafluoroboric acid and tetramethylpyrazine","CrystEngComm","2018","20","38","5772","","10.1039/C8CE01231H","","","0.71073","MoKα","","0.0882","0.0735","","","0.2072","0.2205","","","","","","1.029","","","","has coordinates,has disorder","236805","2020-10-21","18:00:00",""
"7237069","11.034","0.0004","15.227","0.0005","24.4497","0.0008","90","","90","","90","","4107.9","0.2","100","2","100","2","","","","","","","","5","P c n b","-P 2b 2ac","60","","","","- C16 H26 B2 F8 N4 -","- C16 H26 B2 F8 N4 -","- C128 H208 B16 F64 N32 -","8","1","","Rok, M.; Szklarz, P.; Bator, G.","Structures and phase transitions in molecular complexes containing tetrafluoroboric acid and tetramethylpyrazine","CrystEngComm","2018","20","38","5772","","10.1039/C8CE01231H","","","0.71073","MoKα","","0.0996","0.0567","","","0.147","0.1638","","","","","","0.91","","","","has coordinates","236805","2020-10-21","18:00:00",""
"7237070","9.79","0.004","12.442","0.005","11.16","0.004","90","","90","","90","","1359.4","0.9","250","2","250","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C8 H14 B2 F8 N2 -","- C8 H14 B2 F8.008 N2 -","- C32 H56 B8 F32.032 N8 -","4","0.25","","Rok, M.; Szklarz, P.; Bator, G.","Structures and phase transitions in molecular complexes containing tetrafluoroboric acid and tetramethylpyrazine","CrystEngComm","2018","20","38","5772","","10.1039/C8CE01231H","","","0.71073","MoKα","","0.109","0.0724","","","0.2256","0.2722","","","","","","1.035","","","","has coordinates,has disorder","236805","2020-10-21","18:00:00",""
"7237071","10.87","0.004","9.528","0.003","12.575","0.005","90","","90","","90","","1302.4","0.8","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H14 B2 F8 N2 -","- C8 H14 B2 F8 N2 -","- C32 H56 B8 F32 N8 -","4","0.5","","Rok, M.; Szklarz, P.; Bator, G.","Structures and phase transitions in molecular complexes containing tetrafluoroboric acid and tetramethylpyrazine","CrystEngComm","2018","20","38","5772","","10.1039/C8CE01231H","","","0.71073","MoKα","","0.0686","0.0558","","","0.1595","0.1745","","","","","","1.047","","","","has coordinates","236805","2020-10-21","18:00:00",""
"7237072","9.2852","0.0005","9.4826","0.0005","18.6899","0.0009","94.913","0.001","91.446","0.001","112.488","0.001","1511.88","0.14","298","2","298.15","","","","","","","","","3","P -1","-P 1","2","","","","- C20 H14 N4 -","- C20 H14 N4 -","- C80 H56 N16 -","4","2","","Yao, Shu-Li; Zheng, Teng-Fei; Tian, Xue-Mei; Liu, Sui-Jun; Cao, Chen; Zhu, Ze-Hao; Chen, Yong-Qiang; Chen, Jing-Lin; Wen, He-Rui","Dicarboxylate-induced structural diversity of luminescent ZnII/CdII coordination polymers derived from V-shaped bis-benzimidazole","CrystEngComm","2018","20","38","5822","","10.1039/C8CE01261J","","","0.71073","MoKα","","0.0465","0.0355","","","0.0807","0.0876","","","","","","1.038","","","","has coordinates","236807","2020-10-21","18:00:00",""
"7237073","10.409","0.002","11.604","0.002","12.093","0.002","62.633","0.004","72.031","0.004","66.239","0.004","1173.5","0.4","303","2","303","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H18 Cd N4 O4 -","- C28 H18 Cd N4 O4 -","- C56 H36 Cd2 N8 O8 -","2","1","","Yao, Shu-Li; Zheng, Teng-Fei; Tian, Xue-Mei; Liu, Sui-Jun; Cao, Chen; Zhu, Ze-Hao; Chen, Yong-Qiang; Chen, Jing-Lin; Wen, He-Rui","Dicarboxylate-induced structural diversity of luminescent ZnII/CdII coordination polymers derived from V-shaped bis-benzimidazole","CrystEngComm","2018","20","38","5822","","10.1039/C8CE01261J","","","0.71073","MoKα","","0.0281","0.0267","","","0.0837","0.0848","","","","","","1.015","","","","has coordinates","236807","2020-10-21","18:00:00",""
"7237074","14.142","0.0009","16.0637","0.001","19.8005","0.0013","90","","90","","90","","4498.1","0.5","297","2","297.15","","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C28 H18 N4 O4 Zn -","- C28 H18 N4 O4 Zn -","- C224 H144 N32 O32 Zn8 -","8","0.5","","Yao, Shu-Li; Zheng, Teng-Fei; Tian, Xue-Mei; Liu, Sui-Jun; Cao, Chen; Zhu, Ze-Hao; Chen, Yong-Qiang; Chen, Jing-Lin; Wen, He-Rui","Dicarboxylate-induced structural diversity of luminescent ZnII/CdII coordination polymers derived from V-shaped bis-benzimidazole","CrystEngComm","2018","20","38","5822","","10.1039/C8CE01261J","","","0.71073","MoKα","","0.0462","0.0395","","","0.1026","0.108","","","","","","1.053","","","","has coordinates","236807","2020-10-21","18:00:00",""
"7237075","10.4915","0.0006","12.594","0.0006","13.9443","0.0007","100.636","0.001","106.305","0.001","103.497","0.001","1656.63","0.15","294","2","294.15","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H24 Cd N4 O6 -","- C34 H24 Cd N4 O6 -","- C68 H48 Cd2 N8 O12 -","2","1","","Yao, Shu-Li; Zheng, Teng-Fei; Tian, Xue-Mei; Liu, Sui-Jun; Cao, Chen; Zhu, Ze-Hao; Chen, Yong-Qiang; Chen, Jing-Lin; Wen, He-Rui","Dicarboxylate-induced structural diversity of luminescent ZnII/CdII coordination polymers derived from V-shaped bis-benzimidazole","CrystEngComm","2018","20","38","5822","","10.1039/C8CE01261J","","","0.71073","MoKα","","0.041","0.0341","","","0.09","0.0922","","","","","","1.132","","","","has coordinates","236807","2020-10-21","18:00:00",""
"7237076","10.4474","0.0013","12.4603","0.0016","13.9284","0.0018","101.248","0.003","108.513","0.003","103.284","0.003","1601.2","0.4","300","2","300.15","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H22 N4 O5 Zn -","- C34 H22 N4 O5 Zn -","- C68 H44 N8 O10 Zn2 -","2","1","","Yao, Shu-Li; Zheng, Teng-Fei; Tian, Xue-Mei; Liu, Sui-Jun; Cao, Chen; Zhu, Ze-Hao; Chen, Yong-Qiang; Chen, Jing-Lin; Wen, He-Rui","Dicarboxylate-induced structural diversity of luminescent ZnII/CdII coordination polymers derived from V-shaped bis-benzimidazole","CrystEngComm","2018","20","38","5822","","10.1039/C8CE01261J","","","0.71073","MoKα","","0.1264","0.078","","","0.1843","0.1997","","","","","","1.1","","","","has coordinates","236807","2020-10-21","18:00:00",""
"7237077","9.634","0.0007","12.2099","0.0008","12.9166","0.0009","68.118","0.002","76.862","0.002","81.009","0.002","1368.7","0.17","298","2","298.15","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H24 Cd N5 O5 -","- C31 H24 Cd N5 O5 -","- C62 H48 Cd2 N10 O10 -","2","1","","Yao, Shu-Li; Zheng, Teng-Fei; Tian, Xue-Mei; Liu, Sui-Jun; Cao, Chen; Zhu, Ze-Hao; Chen, Yong-Qiang; Chen, Jing-Lin; Wen, He-Rui","Dicarboxylate-induced structural diversity of luminescent ZnII/CdII coordination polymers derived from V-shaped bis-benzimidazole","CrystEngComm","2018","20","38","5822","","10.1039/C8CE01261J","","","0.71073","MoKα","","0.0293","0.0254","","","0.0648","0.068","","","","","","1.085","","","","has coordinates","236807","2020-10-21","18:00:00",""
"7237078","9.3633","0.0005","12.1048","0.0007","13.7443","0.0007","69.881","0.001","72.148","0.001","76.809","0.002","1379.11","0.13","298","2","298.15","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H25 N5 O5 Zn -","- C31 H25 N5 O5 Zn -","- C62 H50 N10 O10 Zn2 -","2","1","","Yao, Shu-Li; Zheng, Teng-Fei; Tian, Xue-Mei; Liu, Sui-Jun; Cao, Chen; Zhu, Ze-Hao; Chen, Yong-Qiang; Chen, Jing-Lin; Wen, He-Rui","Dicarboxylate-induced structural diversity of luminescent ZnII/CdII coordination polymers derived from V-shaped bis-benzimidazole","CrystEngComm","2018","20","38","5822","","10.1039/C8CE01261J","","","0.71073","MoKα","","0.0357","0.0291","","","0.07","0.0737","","","","","","1.046","","","","has coordinates","236807","2020-10-21","18:00:00",""
"7237079","14.745","0.003","14.745","0.003","14.745","0.003","90","","90","","90","","3205.8","1.1","298","2","298","2","","","","","","","","6","F m -3 c","-F 4a 2 3","226","","DAP-O12","","- C6 H14 Cl3 K N2 O13 -","- C6.0048 H14.0112 Cl3 K N2.0016 O13.0008 -","- C48.0384 H112.09 Cl24 K8 N16.0128 O104.006 -","8","0.0416667","","Chen, Shao-Li; Shang, Yu; He, Chun-Ting; Sun, Lin-Ying; Ye, Zi-Ming; Zhang, Wei-Xiong; Chen, Xiao-Ming","Optimizing the oxygen balance by changing the A-site cations in molecular perovskite high-energetic materials","CrystEngComm","2018","20","46","7458","","10.1039/C8CE01350K","","","0.71073","MoKα","","0.0679","0.0412","","","0.1041","0.1251","","","","","","1.052","","","","has coordinates,has disorder","236809","2020-10-21","18:00:00",""
"7237080","10.1521","0.0002","9.7195","0.0002","13.1621","0.0003","90","","91.9","0.002","90","","1298.03","0.05","223","0.1","223","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","PAP-1","","- C4 H12 Cl3 N2 Na O12 -","- C4 H12 Cl3 N2 Na O12 -","- C16 H48 Cl12 N8 Na4 O48 -","4","1","","Chen, Shao-Li; Shang, Yu; He, Chun-Ting; Sun, Lin-Ying; Ye, Zi-Ming; Zhang, Wei-Xiong; Chen, Xiao-Ming","Optimizing the oxygen balance by changing the A-site cations in molecular perovskite high-energetic materials","CrystEngComm","2018","20","46","7458","","10.1039/C8CE01350K","","x-ray","0.71073","MoKα","","0.0808","0.0505","","","0.1171","0.1403","","","","","","1.043","","","","has coordinates","236809","2020-10-21","18:00:00",""
"7237081","14.6921","0.0005","10.4526","0.0004","10.0448","0.0003","90","","91.171","0.003","90","","1542.26","0.09","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H14 Cl3 K N2 O13 -","- C6 H14 Cl3 K N2 O13 -","- C24 H56 Cl12 K4 N8 O52 -","4","1","","Chen, Shao-Li; Shang, Yu; He, Chun-Ting; Sun, Lin-Ying; Ye, Zi-Ming; Zhang, Wei-Xiong; Chen, Xiao-Ming","Optimizing the oxygen balance by changing the A-site cations in molecular perovskite high-energetic materials","CrystEngComm","2018","20","46","7458","","10.1039/C8CE01350K","","","0.71073","MoKα","","0.1002","0.0759","","","0.2048","0.2241","","","","","","1.086","","","","has coordinates","236809","2020-10-21","18:00:00",""
"7237082","10.1689","0.0004","9.7312","0.0004","13.2985","0.0006","90","","91.993","0.004","90","","1315.16","0.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H12 Cl3 N2 Na O12 -","- C4 H12 Cl3 N2 Na O12 -","- C16 H48 Cl12 N8 Na4 O48 -","4","1","","Chen, Shao-Li; Shang, Yu; He, Chun-Ting; Sun, Lin-Ying; Ye, Zi-Ming; Zhang, Wei-Xiong; Chen, Xiao-Ming","Optimizing the oxygen balance by changing the A-site cations in molecular perovskite high-energetic materials","CrystEngComm","2018","20","46","7458","","10.1039/C8CE01350K","","x-ray","1.54184","CuKα","","0.0788","0.0731","","","0.2007","0.2103","","","","","","1.0292","","","","has coordinates","236809","2020-10-21","18:00:00",""
"7237083","8.059","0.004","14.506","0.006","21.978","0.01","90","","90.494","0.011","90","","2569","2","200","","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H40 I N2 Se -","- C21 H40 I N2 Se -","- C84 H160 I4 N8 Se4 -","4","1","","Kumar, Vijith; Leroy, César; Bryce, David L.","Halide ion recognition via chalcogen bonding in the solid state and in solution. Directionality and linearity","CrystEngComm","2018","20","41","6406","","10.1039/C8CE01365A","","","0.71073","MoKα","","0.0445","0.0309","","","0.0745","0.0773","","","","","","0.945","","","","has coordinates","236811","2020-10-21","18:00:00",""
"7237084","12.513","0.0013","14.1548","0.0018","17.6517","0.0018","90","","101.041","0.007","90","","3068.6","0.6","200","2","200","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C26 H44 Cl N3 Se2 -","- C26 H44 Cl N3 Se2 -","- C104 H176 Cl4 N12 Se8 -","4","0.5","","Kumar, Vijith; Leroy, César; Bryce, David L.","Halide ion recognition via chalcogen bonding in the solid state and in solution. Directionality and linearity","CrystEngComm","2018","20","41","6406","","10.1039/C8CE01365A","","","0.71073","MoKα","","0.1513","0.0909","","","0.1968","0.2367","","","","","","1.176","","","","has coordinates,has disorder","236811","2020-10-21","18:00:00",""
"7237085","12.145","0.004","8.651","0.002","26.55","0.008","90","","96.341","0.007","90","","2772.4","1.4","200","","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H82 I2 N6 Se4 -","- C46 H82 I2 N6 Se4 -","- C92 H164 I4 N12 Se8 -","2","0.5","","Kumar, Vijith; Leroy, César; Bryce, David L.","Halide ion recognition via chalcogen bonding in the solid state and in solution. Directionality and linearity","CrystEngComm","2018","20","41","6406","","10.1039/C8CE01365A","","","0.71073","MoKα","","0.0554","0.0322","","","0.0679","0.073","","","","","","0.976","","","","has coordinates","236811","2020-10-21","18:00:00",""
"7237086","7.855","0.0012","14.479","0.002","21.667","0.003","90","","90.775","0.003","90","","2464","0.6","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H40 Br N2 Se -","- C21 H40 Br N2 Se -","- C84 H160 Br4 N8 Se4 -","4","1","","Kumar, Vijith; Leroy, César; Bryce, David L.","Halide ion recognition via chalcogen bonding in the solid state and in solution. Directionality and linearity","CrystEngComm","2018","20","41","6406","","10.1039/C8CE01365A","","","0.71073","MoKα","","0.1103","0.0571","","","0.1463","0.1633","","","","","","0.901","","","","has coordinates","236811","2020-10-21","18:00:00",""
"7237087","9.9885","0.0002","11.9939","0.0002","14.1518","0.0003","90","","90","","90","","1695.4","0.06","293","2","293","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C10 H22 Cu2 O13 -","- C10 H22 Cu2 O13 -","- C40 H88 Cu8 O52 -","4","0.5","","Pasán, Jorge; Sanchiz, Joaquín; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Magnetostructural relationships in polymorphic ethylmalonate-containing copper(ii) coordination polymers","CrystEngComm","2018","20","46","7464","","10.1039/C8CE01595C","","x-ray","0.71073","MoKα","","0.0225","0.0213","","","0.0489","0.0494","","","","","","1.053","","","","has coordinates","236814","2020-10-21","18:00:00",""
"7237088","11.5965","0.0008","11.5965","0.0008","10.5437","0.0006","90","","90","","120","","1227.94","0.14","293","2","293","2","","","","","","","","4","P 65","P 65","170","","","","- C5 H6 Cu O6 -","- C5 H6 Cu O6 -","- C30 H36 Cu6 O36 -","6","1","","Pasán, Jorge; Sanchiz, Joaquín; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Magnetostructural relationships in polymorphic ethylmalonate-containing copper(ii) coordination polymers","CrystEngComm","2018","20","46","7464","","10.1039/C8CE01595C","","x-ray","0.71073","MoKα","","0.0558","0.0509","","","0.1333","0.1356","","","","","","1.159","","","","has coordinates","236814","2020-10-21","18:00:00",""
"7237089","9.77","0.003","9.921","0.003","14.477","0.003","90","","90","","90","","1403.2","0.7","293","2","293","2","","","","","","","","4","C 2 e b","C -2ac 2","41","","","","- C5 H8 Cu O5 -","- C5 H8 Cu O5 -","- C40 H64 Cu8 O40 -","8","1","","Pasán, Jorge; Sanchiz, Joaquín; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Magnetostructural relationships in polymorphic ethylmalonate-containing copper(ii) coordination polymers","CrystEngComm","2018","20","46","7464","","10.1039/C8CE01595C","","x-ray","0.71073","MoKα","","0.0759","0.0458","","","0.0894","0.098","","","","","","1.031","","","","has coordinates","236814","2020-10-21","18:00:00",""
"7238040","7.538","0.0001","14.0607","0.0002","12.3766","0.0001","90","","103.32","0.0005","90","","1276.5","0.03","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 F3 N2 O2 -","- C14 H11 F3 N2 O2 -","- C56 H44 F12 N8 O8 -","4","1","","Liu, Hao; Yang, Xing; Wu, Shanyu; Zhang, Mingtao; Parkin, Sean; Cao, Shuang; Li, Tonglei; Yu, Faquan; Long, Sihui","An investigation of the polymorphism of a potent nonsteroidal anti-inflammatory drug flunixin","CrystEngComm","2020","22","3","448","457","10.1039/C9CE01619H","","","0.71073","MoKα","","0.0453","0.0391","","","0.0929","0.0971","","","","","","1.057","","","","has coordinates","257494","2020-10-21","18:00:00",""
"7238041","7.68546","0.00013","14.1282","0.0002","12.49862","0.00017","90","","102.16","0.0015","90","","1326.67","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 F3 N2 O2 -","- C14 H11 F3 N2 O2 -","- C56 H44 F12 N8 O8 -","4","1","","Liu, Hao; Yang, Xing; Wu, Shanyu; Zhang, Mingtao; Parkin, Sean; Cao, Shuang; Li, Tonglei; Yu, Faquan; Long, Sihui","An investigation of the polymorphism of a potent nonsteroidal anti-inflammatory drug flunixin","CrystEngComm","2020","22","3","448","457","10.1039/C9CE01619H","","x-ray","1.54184","CuKα","","0.0446","0.0393","","","0.1012","0.1074","","","","","","1.034","","","","has coordinates","257494","2020-10-21","18:00:00",""
"7238042","14.3343","0.0012","25.123","0.002","18.1924","0.0014","90","","90","","90","","6551.5","0.9","296.15","","296.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C51 H33 N5 O12 Zn3 -","- C51 H33 N5 O12 Zn3 -","- C204 H132 N20 O48 Zn12 -","4","0.5","","Yan, Peng; Yang, Jucai; Hao, Xiangying; Chen, Zhisheng; Shen, Guanhua; Zhao, Yanhua; Ma, Deyun; Zhu, Jiaxin","A microporous zinc‒organic framework with Lewis basic pyridyl sites for highly selective C2H2/CH4 and C2H2/CO2 gas separation","CrystEngComm","2020","22","2","275","282","10.1039/C9CE01481K","","","0.71073","MoKα","","0.1159","0.0519","","","0.0984","0.1145","","","","","","0.8","","","","has coordinates,has disorder","257466","2020-10-21","18:00:00",""
"7238043","5.21733","0.00004","9.11328","0.00007","14.35413","0.00011","90","","90.7911","0.0003","90","","682.431","0.009","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","(S)-2-methyl-3,4,5,6-tetrahydropyrimidine-4-carboxylic acid","Ectoine","","- C6 H10 N2 O2 -","- C6 H10 N2 O2 -","- C24 H40 N8 O8 -","4","2","","Hützler, Wilhelm Maximilian; Mossou, Estelle; Vollrath, Ronnald; Kohagen, Miriam; El Ghrissi, Imadine; Grininger, Martin; Zaccai, Giuseppe; Smiatek, Jens; Oesterhelt, Dieter","Complex transitions between dihydrate and anhydrate forms of ectoine ‒ unexpected behavior of a highly hygroscopic compatible solute in the solid state","CrystEngComm","2020","22","2","169","172","10.1039/C9CE01599J","","","1.54178","CuKα","","0.0405","0.0405","","","0.112","0.112","","","","","","1.17","","","","has coordinates","257471","2020-10-21","18:00:00",""
"7238044","7.594","0.0003","8.6265","0.0005","13.3619","0.0006","90","","90","","90","","875.33","0.07","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(S)-2-methyl-3,4,5,6-tetrahydropyrimidine-4-carboxylic acid","Ectoine dihydrate","","- C6 H14 N2 O4 -","- C6 H14 N2 O4 -","- C24 H56 N8 O16 -","4","1","","Hützler, Wilhelm Maximilian; Mossou, Estelle; Vollrath, Ronnald; Kohagen, Miriam; El Ghrissi, Imadine; Grininger, Martin; Zaccai, Giuseppe; Smiatek, Jens; Oesterhelt, Dieter","Complex transitions between dihydrate and anhydrate forms of ectoine ‒ unexpected behavior of a highly hygroscopic compatible solute in the solid state","CrystEngComm","2020","22","2","169","172","10.1039/C9CE01599J","","","1.54178","CuKα","","0.0278","0.0278","","","0.0751","0.0751","","","","","","1.104","","","","has coordinates","257471","2020-10-21","18:00:00",""
"7238045","7.594","0.0003","8.6265","0.0005","13.3619","0.0006","90","","90","","90","","875.33","0.07","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","ectoine","1,4,5,6-tetrahydro-2-methyl-4-pyrimidine carboxylic acid","","- C6 H14 N2 O4 -","- C6 H14 N2 O4 -","- C24 H56 N8 O16 -","4","1","","Hützler, Wilhelm Maximilian; Mossou, Estelle; Vollrath, Ronnald; Kohagen, Miriam; El Ghrissi, Imadine; Grininger, Martin; Zaccai, Giuseppe; Smiatek, Jens; Oesterhelt, Dieter","Complex transitions between dihydrate and anhydrate forms of ectoine ‒ unexpected behavior of a highly hygroscopic compatible solute in the solid state","CrystEngComm","2020","22","2","169","172","10.1039/C9CE01599J","","","1.1698","neutrons","","0.0327","0.0317","","","0.08","0.0806","","","","","","1.146","","","","has coordinates,has disorder","257471","2020-10-21","18:00:00",""
"7238068","11.2652","0.0015","12.2246","0.0015","12.2787","0.0018","94.758","0.011","115.462","0.014","111.252","0.012","1364.4","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 N12 O4 Zn -","- C26 H24 N12 O4 Zn -","- C52 H48 N24 O8 Zn2 -","2","1","","Yang, Wei; Liu, Chenxi; Ma, Qi; Wang, Chiming; Wang, Hailong; Jiang, Jianzhuang","Metallomacrocycle-supported interpenetration networks assembled from binary N-containing ligands","CrystEngComm","2016","18","19","3506","","10.1039/C6CE00057F","","","0.71073","MoKα","","0.0839","0.0575","","","0.1467","0.1616","","","","","","1.031","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7238069","8.2082","0.0006","10.6317","0.0008","12.4526","0.001","79.48","0.007","74.303","0.007","69.897","0.007","977.6","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H13 Cd N10 O -","- C20 H13 Cd N10 O -","- C40 H26 Cd2 N20 O2 -","2","1","","Yang, Wei; Liu, Chenxi; Ma, Qi; Wang, Chiming; Wang, Hailong; Jiang, Jianzhuang","Metallomacrocycle-supported interpenetration networks assembled from binary N-containing ligands","CrystEngComm","2016","18","19","3506","","10.1039/C6CE00057F","","","0.71073","MoKα","","0.0299","0.0256","","","0.0534","0.055","","","","","","1.053","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7238070","28.6376","0.0015","10.5812","0.0004","22.7685","0.001","90","","90","","90","","6899.3","0.5","293","2","293","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C30 H29 Cd N13 O3 -","- C30 H29 Cd N13 O3 -","- C240 H232 Cd8 N104 O24 -","8","1","","Yang, Wei; Liu, Chenxi; Ma, Qi; Wang, Chiming; Wang, Hailong; Jiang, Jianzhuang","Metallomacrocycle-supported interpenetration networks assembled from binary N-containing ligands","CrystEngComm","2016","18","19","3506","","10.1039/C6CE00057F","","","0.71073","MoKα","","0.0793","0.0517","","","0.1339","0.1458","","","","","","1.047","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7238071","5.9576","0.0007","16.05","0.0018","16.1222","0.0018","90","","100.028","0.002","90","","1518","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N8 O2 -","- C14 H12 N8 O2 -","- C56 H48 N32 O8 -","4","1","","Yang, Wei; Liu, Chenxi; Ma, Qi; Wang, Chiming; Wang, Hailong; Jiang, Jianzhuang","Metallomacrocycle-supported interpenetration networks assembled from binary N-containing ligands","CrystEngComm","2016","18","19","3506","","10.1039/C6CE00057F","","","0.71073","MoKα","","0.0399","0.0332","","","0.0855","0.0886","","","","","","1.078","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7238087","10.779","0.002","11.647","0.002","17.741","0.004","86.46","0.03","83.91","0.03","63.32","0.03","1978.6","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H54 Mo12 N8 O40 Si -","- C64 H48 Mo12 N8 O40 Si -","- C64 H48 Mo12 N8 O40 Si -","1","0.5","","Han, Zhangang; Zhao, Yulong; Peng, Jun; Tian, Aixiang; Liu, Qun; Ma, Jianfang; Wang, Enbo; Hu, Ninghai","Co-existing intermolecular halogen bonding, aryl packing and hydrogen bonding in driving the self-assembly process of Keggin polyoxometalates","CrystEngComm","2005","7","63","380","","10.1039/b501922b","","","0.71073","MoKα","","0.0698","0.0473","","","0.1123","0.1264","","","","","","1.037","","","","has coordinates","244063","2020-10-21","18:00:00",""
"7238088","21.22","0.004","15.343","0.003","24.707","0.005","90","","109.23","0.03","90","","7595","3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H28.4 Cl3 Mo12 N6 O42.2 P -","- C30 H21 Cl3 Mo12 N6 O42.2 P -","- C120 H84 Cl12 Mo48 N24 O168.8 P4 -","4","0.5","","Han, Zhangang; Zhao, Yulong; Peng, Jun; Tian, Aixiang; Liu, Qun; Ma, Jianfang; Wang, Enbo; Hu, Ninghai","Co-existing intermolecular halogen bonding, aryl packing and hydrogen bonding in driving the self-assembly process of Keggin polyoxometalates","CrystEngComm","2005","7","63","380","","10.1039/b501922b","","","0.71073","MoKα","","0.0782","0.0571","","","0.1596","0.1741","","","","","","1.023","","","","has coordinates","244063","2020-10-21","18:00:00",""
"7238089","9.783","0.002","14.444","0.003","15.724","0.003","88.09","0.03","72.05","0.03","79.4","0.03","2077","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H55 Br4 Mo12 N8 O43 P -","- C64 H44 Br4 Mo12 N8 O43 P -","- C64 H44 Br4 Mo12 N8 O43 P -","1","0.5","","Han, Zhangang; Zhao, Yulong; Peng, Jun; Tian, Aixiang; Liu, Qun; Ma, Jianfang; Wang, Enbo; Hu, Ninghai","Co-existing intermolecular halogen bonding, aryl packing and hydrogen bonding in driving the self-assembly process of Keggin polyoxometalates","CrystEngComm","2005","7","63","380","","10.1039/b501922b","","","0.71073","MoKα","","0.0872","0.0614","","","0.1774","0.1966","","","","","","1.04","","","","has coordinates","244063","2020-10-21","18:00:00",""
"7238090","9.897","0.002","14.401","0.003","15.775","0.003","87.64","0.03","72.1","0.03","79.24","0.03","2101.6","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H56 Br4 N8 O43 Si W12 -","- C64 H44 Br4 N8 O43 Si W12 -","- C64 H44 Br4 N8 O43 Si W12 -","1","0.5","","Han, Zhangang; Zhao, Yulong; Peng, Jun; Tian, Aixiang; Liu, Qun; Ma, Jianfang; Wang, Enbo; Hu, Ninghai","Co-existing intermolecular halogen bonding, aryl packing and hydrogen bonding in driving the self-assembly process of Keggin polyoxometalates","CrystEngComm","2005","7","63","380","","10.1039/b501922b","","","0.71073","MoKα","","0.0787","0.0706","","","0.1504","0.1538","","","","","","1.199","","","","has coordinates","244063","2020-10-21","18:00:00",""
"7238091","9.1196","0.0005","37.326","0.001","8.8987","0.0004","90","","90","","90","","3029.1","0.2","293","2","293","2","","","","","","","","6","C 2 e b","C -2ac 2","41","","","","- C9 H21 I7 N3 O4 Pb2 -","- C9 H18 I7 N3 O4 Pb2 -","- C36 H72 I28 N12 O16 Pb8 -","4","0.5","","Mercier, Nicolas","(HO2C(CH2)3NH3)2(CH3NH3)Pb2I7: a predicted non-centrosymmetrical structure built up from carboxylic acid supramolecular synthons and bilayer perovskite sheets","CrystEngComm","2005","7","70","429","","10.1039/b504342e","","x-ray","0.71073","MoKα","","0.066","0.0365","","","0.0627","0.0683","","","","","","1.018","","","","has coordinates","244064","2020-10-21","18:00:00",""
"7238092","8.904","0.001","9.266","0.001","24.261","0.003","90","","90","","90","","2001.6","0.4","293","2","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H20 I4 N2 O4 Pb -","- C8 H20 I4 N2 O4 Pb -","- C32 H80 I16 N8 O16 Pb4 -","4","0.5","","Mercier, Nicolas","(HO2C(CH2)3NH3)2(CH3NH3)Pb2I7: a predicted non-centrosymmetrical structure built up from carboxylic acid supramolecular synthons and bilayer perovskite sheets","CrystEngComm","2005","7","70","429","","10.1039/b504342e","","x-ray","0.71073","MoKα","","","0.0277","","","","0.0738","","","","","","0.997","","","","has coordinates","244064","2020-10-21","18:00:00",""
"7238093","11.3793","0.0009","9.6944","0.0007","13.5323","0.001","90","","90","","90","","1492.82","0.19","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H4 Cu I N2 -","- C7 H4 Cu I N2 -","- C56 H32 Cu8 I8 N16 -","8","1","","Wu, Tao; Li, Dan; Ng, Seik Weng","Solvent control in the hydrothermal synthesis of two copper(i) iodide‒benzimidazole coordination polymers","CrystEngComm","2005","7","84","514","","10.1039/b506273j","","","0.71073","MoKα","","0.0718","0.0636","","","0.1882","0.1949","","","","","","1.167","","","","has coordinates","244065","2020-10-21","18:00:00",""
"7238094","15.8807","0.0012","4.1476","0.0003","17.2672","0.0013","90","","111.929","0.001","90","","1055.05","0.14","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 Cu2 I2 N2 -","- C7 H6 Cu2 I2 N2 -","- C28 H24 Cu8 I8 N8 -","4","1","","Wu, Tao; Li, Dan; Ng, Seik Weng","Solvent control in the hydrothermal synthesis of two copper(i) iodide‒benzimidazole coordination polymers","CrystEngComm","2005","7","84","514","","10.1039/b506273j","","","0.71073","MoKα","","0.0488","0.0373","","","0.0954","0.1135","","","","","","1.105","","","","has coordinates","244065","2020-10-21","18:00:00",""
"7238095","6.7802","0.0009","6.7802","0.0009","27.425","0.007","90","","90","","90","","1260.8","0.4","100","0.2","100","0.2","","","","","","","","3","P 41","P 4w","76","(4aR*,8aS*,9aR*,10aS*)-1,4,4a,5,8,8a,9,9a,10,10a-decahydro- 4a,8a,9a,10a-anthracenetetraol","(4aR*,8aS*,9aR*,10aS*)-1,4,4a,5,8,8a,9,9a,10,10a-decahydro-4a,8a,9a,10a- anthracenetetraol","","- C14 H20 O4 -","- C14 H20 O4 -","- C56 H80 O16 -","4","1","","Mehta, Goverdhan; Sen, Saikat; Venkatesan, Kailasam","Concomitant dimorphism and helical self-assembly in a C2h-symmetric ‘locked’ cyclitol","CrystEngComm","2005","7","65","398","","10.1039/b506591g","","x-ray","0.71073","MoKα","","0.0436","0.0422","","","0.0986","0.0993","","","","","","1.224","","","","has coordinates","244066","2020-10-21","18:00:00",""
"7238096","9.2811","0.0019","9.926","0.002","13.927","0.003","92.912","0.003","101.065","0.003","91.848","0.004","1256.4","0.5","100","0.2","100","0.2","","","","","","","","3","P -1","-P 1","2","(4aR*,8aS*,9aR*,10aS*)-1,4,4a,5,8,8a,9,9a,10,10a-decahydro- 4a,8a,9a,10a-anthracenetetraol","(4aR*,8aS*,9aR*,10aS*)-1,4,4a,5,8,8a,9,9a,10,10a-decahydro-4a,8a,9a,10a- anthracenetetraol","","- C14 H20 O4 -","- C14 H20 O4 -","- C56 H80 O16 -","4","2","","Mehta, Goverdhan; Sen, Saikat; Venkatesan, Kailasam","Concomitant dimorphism and helical self-assembly in a C2h-symmetric ‘locked’ cyclitol","CrystEngComm","2005","7","65","398","","10.1039/b506591g","","x-ray","0.71073","MoKα","","0.0714","0.0519","","","0.1322","0.1458","","","","","","1.021","","","","has coordinates","244066","2020-10-21","18:00:00",""
"7238097","5.958","0.005","5.994","0.005","9.867","0.008","86.177","0.013","82.547","0.013","73.2","0.012","334.3","0.5","292","2","292","2","","","","","","","","3","P -1","-P 1","2","(4aR,8aS,9aR,10aS)perhydro-4a,8a,9a,10a-anthracenetetraol","(4aR,8aS,9aR,10aS)perhydro-4a,8a,9a,10a-anthracenetetraol","","- C14 H24 O4 -","- C14 H24 O4 -","- C14 H24 O4 -","1","0.5","","Mehta, Goverdhan; Sen, Saikat; Venkatesan, Kailasam","Concomitant dimorphism and helical self-assembly in a C2h-symmetric ‘locked’ cyclitol","CrystEngComm","2005","7","65","398","","10.1039/b506591g","","x-ray","0.71073","MoKα","","0.0576","0.0504","","","0.1405","0.1471","","","","","","1.058","","","","has coordinates","244066","2020-10-21","18:00:00",""
"7238098","6.4271","0.0005","12.845","0.001","13.122","0.001","87.403","0.001","78.592","0.001","87.916","0.001","1060.39","0.14","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H42 I2 N2 O4 Pd S2 -","- C40 H42 I2 N2 O4 Pd S2 -","- C40 H42 I2 N2 O4 Pd S2 -","1","0.5","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro","Engineering organic/inorganic diols that reversibly capture and release volatile guests","CrystEngComm","2005","7","86","527","","10.1039/b507966g","","","0.71069","MoKα","","0.0538","0.0464","","","0.1279","0.1356","","","","","","1.059","","","","has coordinates","244068","2020-10-21","18:00:00",""
"7238099","7.0847","0.0004","12.3248","0.0006","12.7151","0.0007","88.999","0.001","74.24","0.001","86.511","0.001","1066.53","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H42 I2 N4 O4 Pd -","- C42 H42 I2 N4 O4 Pd -","- C42 H42 I2 N4 O4 Pd -","1","0.5","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro","Engineering organic/inorganic diols that reversibly capture and release volatile guests","CrystEngComm","2005","7","86","527","","10.1039/b507966g","","","0.71069","MoKα","","0.0373","0.0308","","","0.0821","0.0872","","","","","","1.045","","","","has coordinates","244068","2020-10-21","18:00:00",""
"7238100","12.388","0.001","13.834","0.002","14.151","0.002","64.58","0.002","67.931","0.002","83.78","0.002","2025.8","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H42 I2 N2 O5 Pd -","- C42 H42 I2 N2 O5 Pd -","- C84 H84 I4 N4 O10 Pd2 -","2","1","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro","Engineering organic/inorganic diols that reversibly capture and release volatile guests","CrystEngComm","2005","7","86","527","","10.1039/b507966g","","","0.71069","MoKα","","0.0902","0.0503","","","0.1317","0.1615","","","","","","1.001","","","","has coordinates","244068","2020-10-21","18:00:00",""
"7238101","10.955","0.002","11.153","0.002","14.248","0.003","91.81","0.003","91.062","0.004","105.529","0.003","1675.8","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H30 I2 N2 O2 Pd -","- C36 H30 I2 N2 O2 Pd -","- C72 H60 I4 N4 O4 Pd2 -","2","1","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro","Engineering organic/inorganic diols that reversibly capture and release volatile guests","CrystEngComm","2005","7","86","527","","10.1039/b507966g","","","0.71069","MoKα","","0.1475","0.111","","","0.3493","0.3703","","","","","","1.308","","","","has coordinates","244068","2020-10-21","18:00:00",""
"7238102","8.36","0.0017","8.478","0.0017","22.484","0.006","90","","107.92","0.03","90","","1516.3","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 Cd2 N2 O9 -","- C14 H8 Cd2 N2 O9 -","- C56 H32 Cd8 N8 O36 -","4","1","","Zhang, Hong-Tao; Li, Yi-Zhi; Wang, Hua-Qin; Nfor, Emmanuel N.; You, Xiao-Zeng","From loop-like chain to helix: a result of symmetry breaking triggered by the replacement of coordination water","CrystEngComm","2005","7","94","578","","10.1039/b510446g","","","0.71073","MoKα","","0.0372","0.0275","","","0.0652","0.0681","","","","","","1.085","","","","has coordinates","244069","2020-10-21","18:00:00",""
"7238103","9.142","0.0018","9.597","0.0019","9.904","0.002","117.25","0.03","104.93","0.03","98.44","0.03","710.1","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H11 Cd N3 O8 -","- C11 H11 Cd N3 O8 -","- C22 H22 Cd2 N6 O16 -","2","1","","Zhang, Hong-Tao; Li, Yi-Zhi; Wang, Hua-Qin; Nfor, Emmanuel N.; You, Xiao-Zeng","From loop-like chain to helix: a result of symmetry breaking triggered by the replacement of coordination water","CrystEngComm","2005","7","94","578","","10.1039/b510446g","","","0.71073","MoKα","","0.0439","0.0325","","","0.0789","0.0835","","","","","","1.074","","","","has coordinates","244069","2020-10-21","18:00:00",""
"7238104","8.1781","0.0009","10.4752","0.0012","17.291","0.002","78.35","0.02","84.08","0.02","81.4","0.03","1430.4","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H42 Cd4 N8 O29 -","- C52 H42 Cd4 N8 O29 -","- C52 H42 Cd4 N8 O29 -","1","0.5","","Zhang, Hong-Tao; Li, Yi-Zhi; Wang, Hua-Qin; Nfor, Emmanuel N.; You, Xiao-Zeng","From loop-like chain to helix: a result of symmetry breaking triggered by the replacement of coordination water","CrystEngComm","2005","7","94","578","","10.1039/b510446g","","","0.71073","MoKα","","0.0694","0.0427","","","0.0811","0.0854","","","","","","0.952","","","","has coordinates","244069","2020-10-21","18:00:00",""
"7238105","7.8679","0.0019","15.969","0.004","8.078","0.002","90","","114.515","0.01","90","","923.4","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H7 Cd N O6 -","- C7 H7 Cd N O6 -","- C28 H28 Cd4 N4 O24 -","4","1","","Zhang, Hong-Tao; Li, Yi-Zhi; Wang, Hua-Qin; Nfor, Emmanuel N.; You, Xiao-Zeng","From loop-like chain to helix: a result of symmetry breaking triggered by the replacement of coordination water","CrystEngComm","2005","7","94","578","","10.1039/b510446g","","","0.71073","MoKα","","0.0415","0.0319","","","0.0579","0.0605","","","","","","0.952","","","","has coordinates","244069","2020-10-21","18:00:00",""
"7238106","33.839","0.005","5.6356","0.0009","17.58","0.003","90","","116.787","0.003","90","","2992.8","0.8","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H22 Cu2 N4 O11 -","- C34 H22 Cu2 N4 O11 -","- C136 H88 Cu8 N16 O44 -","4","0.5","","Ghoshal, Debajyoti; Ghosh, Ananta Kumar; Ribas, Joan; Mostafa, Golam; Chaudhuri, Nirmalendu Ray","Synthesis, crystal structure and magnetic behavior of a croconato bridged Cu(ii) complex: effect of C‒H⋯O interaction in controlling the coordination bond formation in organic‒inorganic hybrid","CrystEngComm","2005","7","102","616","","10.1039/b511251f","","","0.71073","MoKα","","0.1282","0.0563","","","0.1252","0.1396","","","","","","0.885","","","","has coordinates","244070","2020-10-21","18:00:00",""
"7238107","7.9398","0.001","8.2908","0.0011","8.5591","0.0011","83.699","0.002","87.174","0.002","86.834","0.002","558.63","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","cis-dichloro[2-(phenylselanyl)ethanamine]platinum(II)","","- C8 H11 Cl2 N Pt Se -","- C8 H11 Cl2 N Pt Se -","- C16 H22 Cl4 N2 Pt2 Se2 -","2","1","","Carland, Michael; Abrahams, Brendan F.; Denny, William A.; Murray, Vincent; McFadyen, W. David","Hydrogen-bonded networks from novel platinum(ii) dimers","CrystEngComm","2005","7","115","701","","10.1039/b511536a","","","0.71073","MoKα","","0.0323","0.0303","","","0.0783","0.0794","","","","","","1.043","","","","has coordinates","244071","2020-10-21","18:00:00",""
"7238108","10.5679","0.0008","10.7752","0.0009","11.4873","0.0009","90","","98.485","0.001","90","","1293.76","0.18","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","cis-dichloro[2-benzylselanyl)ethanamine]platinum(II)","","- C9 H13 Cl2 N Pt Se -","- C9 H13 Cl2 N Pt Se -","- C36 H52 Cl8 N4 Pt4 Se4 -","4","1","","Carland, Michael; Abrahams, Brendan F.; Denny, William A.; Murray, Vincent; McFadyen, W. David","Hydrogen-bonded networks from novel platinum(ii) dimers","CrystEngComm","2005","7","115","701","","10.1039/b511536a","","","0.71073","MoKα","","0.0516","0.0469","","","0.1102","0.1115","","","","","","1.047","","","","has coordinates","244071","2020-10-21","18:00:00",""
"7238109","16.199","0.003","23.421","0.003","8.289","0.002","90","","90","","90","","3144.8","1","294","","","","","","","","","","","6","P b a 2","P 2 -2ab","32","","","","- C22 H31 Cl2 Fe N10 O6.5 -","- C22 H26 Cl2.5 Fe N10 O6 -","- C88 H104 Cl10 Fe4 N40 O24 -","4","1","","Scudder, Marcia L.; Craig, Donald C.; Goodwin, Harold A.","Hydrogen bonding influences on the properties of heavily hydrated chloride salts of iron(ii) and ruthenium(ii) complexes of 2,6-bis(pyrazol-3-yl)pyridine, 2,6-bis(1,2,4-triazol-3-yl)pyridine and 2,2′∶6′,2″-terpyridine","CrystEngComm","2005","7","107","642","","10.1039/b511825e","","","0.71073","MoKα","","","0.063","","","","0.073","","","","","","1.91","","","","has coordinates","244072","2020-10-21","18:00:00",""
"7238110","11.733","0.002","11.733","0.002","20.664","0.004","90","","90","","90","","2844.7","0.9","294","","","","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C18 H26 Cl2 Fe N14 O6 -","- C18 H14 Cl2 Fe N14 O6 -","- C72 H56 Cl8 Fe4 N56 O24 -","4","0.25","","Scudder, Marcia L.; Craig, Donald C.; Goodwin, Harold A.","Hydrogen bonding influences on the properties of heavily hydrated chloride salts of iron(ii) and ruthenium(ii) complexes of 2,6-bis(pyrazol-3-yl)pyridine, 2,6-bis(1,2,4-triazol-3-yl)pyridine and 2,2′∶6′,2″-terpyridine","CrystEngComm","2005","7","107","642","","10.1039/b511825e","","","0.71073","MoKα","","","0.071","","","","0.105","","","","","","1.7","","","","has coordinates","244072","2020-10-21","18:00:00",""
"7238111","16.299","0.004","23.473","0.005","8.339","0.002","90","","90","","90","","3190.4","1.3","294","","","","","","","","","","","6","P b a 2","P 2 -2ab","32","","","","- C22 H31 Cl2 N10 O6.5 Ru -","- C22 H26 Cl2.5 N10 O6 Ru -","- C88 H104 Cl10 N40 O24 Ru4 -","4","1","","Scudder, Marcia L.; Craig, Donald C.; Goodwin, Harold A.","Hydrogen bonding influences on the properties of heavily hydrated chloride salts of iron(ii) and ruthenium(ii) complexes of 2,6-bis(pyrazol-3-yl)pyridine, 2,6-bis(1,2,4-triazol-3-yl)pyridine and 2,2′∶6′,2″-terpyridine","CrystEngComm","2005","7","107","642","","10.1039/b511825e","","","0.71073","MoKα","","","0.052","","","","0.067","","","","","","1.95","","","","has coordinates","244072","2020-10-21","18:00:00",""
"7238112","8.836","0.003","20.969","0.004","17.825","0.004","90","","91.26","0.02","90","","3301.9","1.5","294","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H34 Cl2 N6 O6 Ru -","- C30 H22 Cl7 N6 O Ru -","- C120 H88 Cl28 N24 O4 Ru4 -","4","1","","Scudder, Marcia L.; Craig, Donald C.; Goodwin, Harold A.","Hydrogen bonding influences on the properties of heavily hydrated chloride salts of iron(ii) and ruthenium(ii) complexes of 2,6-bis(pyrazol-3-yl)pyridine, 2,6-bis(1,2,4-triazol-3-yl)pyridine and 2,2′∶6′,2″-terpyridine","CrystEngComm","2005","7","107","642","","10.1039/b511825e","","","0.71073","MoKα","","","0.056","","","","0.069","","","","","","1.87","","","","has coordinates","244072","2020-10-21","18:00:00",""
"7238113","9.6207","0.0003","11.1229","0.0003","11.5791","0.0003","75.102","0.001","73.232","0.001","71.184","0.001","1104.44","0.05","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Tetraphenylphosphonium chloride, hydrogenperoxide water solvate","","- C24 H24 Cl O3.85 P -","- C24 H24 Cl O3.85 P -","- C48 H48 Cl2 O7.7 P2 -","2","1","","Churakov, Andrei V.; Prikhodchenko, Petr V.; Howard, Judith A. K.","The preparation and crystal structures of novel perhydrates Ph4X+Hal‒·nH2O2: anionic hydrogen-bonded chains containing hydrogen peroxide","CrystEngComm","2005","7","110","664","","10.1039/b511834d","","","0.71073","MoKα","","0.0376","0.0337","","","0.0919","0.0943","","","","","","1.07","","","","has coordinates,has disorder","244073","2020-10-21","18:00:00",""
"7238114","9.6277","0.0011","11.1642","0.0013","11.6014","0.0014","75.114","0.002","73.164","0.002","71.148","0.003","1111","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Tetraphenylphosphonium chloride, hydrogenperoxide water solvate","","- C24 H24 Cl O3.9 P -","- C24 H24 Cl O3.9 P -","- C48 H48 Cl2 O7.8 P2 -","2","1","","Churakov, Andrei V.; Prikhodchenko, Petr V.; Howard, Judith A. K.","The preparation and crystal structures of novel perhydrates Ph4X+Hal‒·nH2O2: anionic hydrogen-bonded chains containing hydrogen peroxide","CrystEngComm","2005","7","110","664","","10.1039/b511834d","","","0.71073","MoKα","","0.071","0.0565","","","0.1307","0.1367","","","","","","1.073","","","","has coordinates,has disorder","244073","2020-10-21","18:00:00",""
"7238115","9.6029","0.0006","11.128","0.0007","11.5333","0.0007","75.131","0.001","73.415","0.001","71.343","0.001","1100.42","0.12","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Tetraphenylphosphonium chloride, hydrogenperoxide water solvate","","- C24 H24 Cl O3.73 P -","- C24 H24 Cl O3.73 P -","- C48 H48 Cl2 O7.46 P2 -","2","1","","Churakov, Andrei V.; Prikhodchenko, Petr V.; Howard, Judith A. K.","The preparation and crystal structures of novel perhydrates Ph4X+Hal‒·nH2O2: anionic hydrogen-bonded chains containing hydrogen peroxide","CrystEngComm","2005","7","110","664","","10.1039/b511834d","","","0.71073","MoKα","","0.047","0.0406","","","0.0996","0.1033","","","","","","1.034","","","","has coordinates,has disorder","244073","2020-10-21","18:00:00",""
"7238116","9.5924","0.0005","11.1652","0.0006","11.9082","0.0006","75.233","0.001","71.189","0.001","70.977","0.001","1125.23","0.1","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Tetraphenylphosphonium bromide, hydrogenperoxide water solvate","","- C24 H24 Br O3.84 P -","- C24 H24 Br O3.84 P -","- C48 H48 Br2 O7.68 P2 -","2","1","","Churakov, Andrei V.; Prikhodchenko, Petr V.; Howard, Judith A. K.","The preparation and crystal structures of novel perhydrates Ph4X+Hal‒·nH2O2: anionic hydrogen-bonded chains containing hydrogen peroxide","CrystEngComm","2005","7","110","664","","10.1039/b511834d","","","0.71073","MoKα","","0.0509","0.035","","","0.0765","0.0811","","","","","","1.03","","","","has coordinates,has disorder","244073","2020-10-21","18:00:00",""
"7238117","10.8495","0.0006","16.3505","0.0009","12.8342","0.0007","90","","91.889","0.001","90","","2275.5","0.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetraphenylphosphonium bromide, hydrogenperoxide water solvate","","- C24 H24 Br O3.5 P -","- C24 H24 Br O3.5 P -","- C96 H96 Br4 O14 P4 -","4","1","","Churakov, Andrei V.; Prikhodchenko, Petr V.; Howard, Judith A. K.","The preparation and crystal structures of novel perhydrates Ph4X+Hal‒·nH2O2: anionic hydrogen-bonded chains containing hydrogen peroxide","CrystEngComm","2005","7","110","664","","10.1039/b511834d","","","0.71073","MoKα","","0.0689","0.0376","","","0.0829","0.0908","","","","","","0.985","","","","has coordinates,has disorder","244073","2020-10-21","18:00:00",""
"7238118","9.6626","0.0006","11.1999","0.0007","11.5831","0.0008","75.261","0.001","73.801","0.001","71.866","0.001","1124.51","0.13","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Tetraphenylarsonium chloride, hydrogenperoxide water solvate","","- C24 H24 As Cl O3.85 -","- C24 H24 As Cl O3.85 -","- C48 H48 As2 Cl2 O7.7 -","2","1","","Churakov, Andrei V.; Prikhodchenko, Petr V.; Howard, Judith A. K.","The preparation and crystal structures of novel perhydrates Ph4X+Hal‒·nH2O2: anionic hydrogen-bonded chains containing hydrogen peroxide","CrystEngComm","2005","7","110","664","","10.1039/b511834d","","","0.71073","MoKα","","0.028","0.0258","","","0.0633","0.0642","","","","","","1.062","","","","has coordinates,has disorder","244073","2020-10-21","18:00:00",""
"7238119","10.4668","0.0003","15.9259","0.0004","13.1947","0.0003","90","","101.444","0.001","90","","2155.74","0.1","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetraphenylarsonium chloride, hydrogenperoxide solvate","","- C24 H23 As Cl O3 -","- C24 H23 As Cl O3 -","- C96 H92 As4 Cl4 O12 -","4","1","","Churakov, Andrei V.; Prikhodchenko, Petr V.; Howard, Judith A. K.","The preparation and crystal structures of novel perhydrates Ph4X+Hal‒·nH2O2: anionic hydrogen-bonded chains containing hydrogen peroxide","CrystEngComm","2005","7","110","664","","10.1039/b511834d","","","0.71073","MoKα","","0.0358","0.0277","","","0.0715","0.0744","","","","","","1.055","","","","has coordinates","244073","2020-10-21","18:00:00",""
"7238120","10.8149","0.0002","12.7601","0.0003","15.4838","0.0004","82.691","0.001","80.994","0.001","86.723","0.001","2091.75","0.08","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Tetraphenylarsonium chloride, hydrogenperoxide water solvate","","- C24 H22 As Cl O1.98 -","- C24 H22 As Cl O1.98 -","- C96 H88 As4 Cl4 O7.92 -","4","2","","Churakov, Andrei V.; Prikhodchenko, Petr V.; Howard, Judith A. K.","The preparation and crystal structures of novel perhydrates Ph4X+Hal‒·nH2O2: anionic hydrogen-bonded chains containing hydrogen peroxide","CrystEngComm","2005","7","110","664","","10.1039/b511834d","","","0.71073","MoKα","","0.0482","0.0322","","","0.0761","0.0805","","","","","","0.983","","","","has coordinates,has disorder","244073","2020-10-21","18:00:00",""
"7238121","9.771","0.003","10.467","0.006","11.703","0.007","99.62","0.03","101.62","0.04","117.14","0.03","996.2","1","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H26 O3 -","- C24 H26 O3 -","- C48 H52 O6 -","2","1","","Sarma, Rupam J.; Baruah, Jubaraj B.","Selectivity in guest‒host binding in assemblies of bisphenols","CrystEngComm","2005","7","116","706","","10.1039/b512786f","","","0.71073","MoKα","","0.0718","0.0485","","","0.1172","0.1406","","","","","","0.932","","","","has coordinates","244074","2020-10-21","18:00:00",""
"7238122","12.007","0.006","9.772","0.005","21.546","0.011","90","","98.194","0.003","90","","2502","2","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Bis(4-hydroxy-3,5-dimethylphenyl)(4-formylphenyl)methane: benzene inclusion","","","- C30 H30 O3 -","- C30 H30 O3 -","- C120 H120 O12 -","4","1","","Sarma, Rupam J.; Baruah, Jubaraj B.","Selectivity in guest‒host binding in assemblies of bisphenols","CrystEngComm","2005","7","116","706","","10.1039/b512786f","","","0.71073","MoKα","","0.1301","0.073","","","0.1912","0.2459","","","","","","1.014","","","","has coordinates","244074","2020-10-21","18:00:00",""
"7238123","12.11","0.004","9.815","0.003","21.26","0.006","90","","97.277","0.002","90","","2506.6","1.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Bis(4-hydroxy-3,5-dimethylphenyl)(4-nitrophenyl)methane with benzene","","","- C28 H28 N O4 -","- C29 H29 N O4 -","- C116 H116 N4 O16 -","4","1","","Sarma, Rupam J.; Baruah, Jubaraj B.","Selectivity in guest‒host binding in assemblies of bisphenols","CrystEngComm","2005","7","116","706","","10.1039/b512786f","","","0.71073","MoKα","","0.1362","0.0626","","","0.1606","0.1966","","","","","","1.021","","","","has coordinates","244074","2020-10-21","18:00:00",""
"7238124","35.873","0.002","35.873","0.002","6.108","0.01","90","","90","","120","","6807","11","296","2","296","2","","","","","","","","3","R -3 :H","-R 3","148","Bis(4-hydroxyphenyl)phenylmethane","Bis(4-hydroxyphenyl)phenylmethane","","- C114 H98 O13 -","- C19 H16 O2.16667 -","- C342 H288 O39 -","18","1","","Sarma, Rupam J.; Baruah, Jubaraj B.","Selectivity in guest‒host binding in assemblies of bisphenols","CrystEngComm","2005","7","116","706","","10.1039/b512786f","","","0.71073","MoKα","","0.0751","0.0572","","","0.1643","0.1841","","","","","","1.037","","","","has coordinates","244074","2020-10-21","18:00:00",""
"7238125","11.482","0.012","11.739","0.011","12.465","0.013","62.491","0.006","63.027","0.006","62.88","0.006","1262","2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","Bis(4-hydroxy-2,6-dimethylphenyl)(4- aminophenyl)methane:Toluene solvate","","","- C30 H33 N O2 -","- C20 H22 N0.666667 O1.33333 -","- C60 H66 N2 O4 -","3","1.5","","Sarma, Rupam J.; Baruah, Jubaraj B.","Selectivity in guest‒host binding in assemblies of bisphenols","CrystEngComm","2005","7","116","706","","10.1039/b512786f","","","0.71073","MoKα","","0.1293","0.0794","","","0.2325","0.262","","","","","","1.151","","","","has coordinates","244074","2020-10-21","18:00:00",""
"7238126","9.692","0.002","11.739","0.003","12.104","0.007","112.155","0.003","101.102","0.004","91.062","0.004","1245.3","0.8","296","2","296","2","","","","","","","","3","P -1","-P 1","2","(Bis(4-hydroxy-3,5-dimethylphenyl)(4-hydroxyphenyl))methane","","","- C30 H32 O3 -","- C30 H31 O3 -","- C60 H62 O6 -","2","1","","Sarma, Rupam J.; Baruah, Jubaraj B.","Selectivity in guest‒host binding in assemblies of bisphenols","CrystEngComm","2005","7","116","706","","10.1039/b512786f","","","0.71073","MoKα","","0.081","0.0663","","","0.1893","0.2065","","","","","","1.045","","","","has coordinates","244074","2020-10-21","18:00:00",""
"7238127","5.331","0.004","14.537","0.013","15.166","0.014","85.576","0.006","88.042","0.006","85.168","0.006","1167.2","1.7","296","2","296","2","","","","","","","","4","P -1","-P 1","2","Bis(((4-hydroxy-3,5-dimethylphenyl)methyl)phenyl)nicotinamide","","","- C29 H28 N2 O3 -","- C29 H28 N2 O3 -","- C58 H56 N4 O6 -","2","1","","Sarma, Rupam J.; Baruah, Jubaraj B.","Selectivity in guest‒host binding in assemblies of bisphenols","CrystEngComm","2005","7","116","706","","10.1039/b512786f","","","0.71073","MoKα","","0.1312","0.0797","","","0.0978","0.1503","","","","","","0.872","","","","has coordinates","244074","2020-10-21","18:00:00",""
"7238128","7.746","0.004","10.408","0.005","12.556","0.007","90","","100.061","0.008","90","","996.7","0.9","292","2","292","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","(3aR*,4R*,5S*,6R*,7S*,7aR*)perhydro-3a,4,5,6,7,7a-indenehexaol","(3aR*,4R*,5S*,6R*,7S*,7aR*)perhydro-3a,4,5,6,7,7a-indenehexaol","","- C9 H16 O6 -","- C9 H16 O6 -","- C36 H64 O24 -","4","1","","Mehta, Goverdhan; Sen, Saikat","Fine tuning the hydrophilic‒hydrophobic balance in inositols through annulation: An analysis of the hydrogen-bonded architectures of ‘annulated inositols’","CrystEngComm","2005","7","109","656","","10.1039/b512911g","","x-ray","0.71073","MoKα","","0.0386","0.0359","","","0.0978","0.0996","","","","","","1.03","","","","has coordinates","244075","2020-10-21","18:00:00",""
"7238129","6.1134","0.0013","7.6139","0.0013","11.668","0.002","102.319","0.003","97.916","0.003","91.829","0.002","524.49","0.17","295","2","296","2","","","","","","","","3","P -1","-P 1","2","annulated myo-inositol","(1R*,2R*,3R*,4S*,4aR*,8aR*)perhydro-1,2,3,4,4a,8a-naphthalenehexaol","","- C10 H18 O6 -","- C10 H18 O6 -","- C20 H36 O12 -","2","1","","Mehta, Goverdhan; Sen, Saikat","Fine tuning the hydrophilic‒hydrophobic balance in inositols through annulation: An analysis of the hydrogen-bonded architectures of ‘annulated inositols’","CrystEngComm","2005","7","109","656","","10.1039/b512911g","","x-ray","0.71073","MoKα","","0.1005","0.0577","","","0.1353","0.1549","","","","","","1.017","","","","has coordinates","244075","2020-10-21","18:00:00",""
"7238130","12.559","0.004","12.916","0.004","13.86","0.004","87.959","0.006","87.627","0.006","70.606","0.006","2118.3","1.1","292","2","292","2","","","","","","","","3","P -1","-P 1","2","annulated chiro-inositol","(1R*,2S*,3R*,4S*,4aR*,8aR*)perhydro-1,2,3,4,4a,8a-naphthalenehexaol","","- C10 H18 O6 -","- C10 H18 O6 -","- C80 H144 O48 -","8","4","","Mehta, Goverdhan; Sen, Saikat","Fine tuning the hydrophilic‒hydrophobic balance in inositols through annulation: An analysis of the hydrogen-bonded architectures of ‘annulated inositols’","CrystEngComm","2005","7","109","656","","10.1039/b512911g","","x-ray","0.71073","MoKα","","0.0916","0.0499","","","0.1116","0.1294","","","","","","0.967","","","","has coordinates","244075","2020-10-21","18:00:00",""
"7238131","13.7281","0.0005","10.14","0.0004","13.8928","0.0006","90","","118.578","0.001","90","","1698.3","0.12","105","2","105","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-Valyl-L-alanine acetonitrile solvate 0.85 hydrate","L-Valyl-L-alanine acetonitrile solvate 0.85 hydrate","","- C8.67 H17.57 N2.33 O3.29 -","- C8.66667 H17.574 N2.33333 O3.287 -","- C52 H105.444 N14 O19.722 -","6","3","","Görbitz, Carl Henrik","Monoclinic nanoporous crystal structures for l-valyl‒l-alanine acetonitrile solvate hydrate and l-valyl‒l-serine trifluoroethanol solvate","CrystEngComm","2005","7","111","670","","10.1039/b513055g","","","0.71073","MoKα","","0.0436","0.0373","","","0.0928","0.0962","","","","","","1.059","","","","has coordinates,has disorder","244076","2020-10-21","18:00:00",""
"7238132","14.4539","0.0018","14.4539","0.0018","9.996","0.003","90","","90","","120","","1808.5","0.6","105","2","105","2","","","","","","","","4","P 61","P 61","169","L-Valyl-L-alanine","L-Valyl-L-alanine","","- C8.41 H16 N2 O3 -","- C8.411 H16 N2 O3 -","- C50.466 H96 N12 O18 -","6","1","","Görbitz, Carl Henrik","Monoclinic nanoporous crystal structures for l-valyl‒l-alanine acetonitrile solvate hydrate and l-valyl‒l-serine trifluoroethanol solvate","CrystEngComm","2005","7","111","670","","10.1039/b513055g","","","0.71073","MoKα","","0.0564","0.0393","","","0.0875","0.0958","","","","","","1.11","","","","has coordinates","244076","2020-10-21","18:00:00",""
"7238133","14.0668","0.0013","9.8053","0.001","14.1915","0.0014","90","","116.172","0.002","90","","1756.7","0.3","105","2","105","2","","","","","","","","5","P 1 21 1","P 2yb","4","L-Valyl-L-serine trifluoroethanol solvate","L-Valyl-L-serine trifluoroethanol solvate","","- C8.28 H16 F0.85 N2 O4.13 -","- C8.27967 H16 F0.855 N2 O4.12933 -","- C49.678 H96 F5.13 N12 O24.776 -","6","3","","Görbitz, Carl Henrik","Monoclinic nanoporous crystal structures for l-valyl‒l-alanine acetonitrile solvate hydrate and l-valyl‒l-serine trifluoroethanol solvate","CrystEngComm","2005","7","111","670","","10.1039/b513055g","","","0.71073","MoKα","","0.0601","0.0455","","","0.1135","0.1213","","","","","","1.139","","","","has coordinates,has disorder","244076","2020-10-21","18:00:00",""
"7238134","14.0999","0.0014","9.814","0.001","14.2142","0.0014","90","","116.14","0.002","90","","1765.7","0.3","105","2","105","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-Valyl-L-serine trifluoroethanol solvate","L-Valyl-L-serine trifluoroethanol solvate","","- C8.55 H15.94 N2 O4.08 -","- C8.56233 H15.9407 N2 O4.086 -","- C51.374 H95.644 N12 O24.516 -","6","3","","Görbitz, Carl Henrik","Monoclinic nanoporous crystal structures for l-valyl‒l-alanine acetonitrile solvate hydrate and l-valyl‒l-serine trifluoroethanol solvate","CrystEngComm","2005","7","111","670","","10.1039/b513055g","","","0.71073","MoKα","","0.0598","0.0389","","","0.0908","0.1","","","","","","1.114","","","","has coordinates,has disorder","244076","2020-10-21","18:00:00",""
"7238135","13.687","0.004","15.018","0.004","17.572","0.005","82.449","0.005","75.466","0.005","62.991","0.005","3114.4","1.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H50 Mn2 N6 O8 -","- C76 H50 Mn2 N6 O8 -","- C152 H100 Mn4 N12 O16 -","2","1","","Zou, Ru-Qiang; Liu, Chun-Sen; Shi, Xue-Song; Bu, Xian-He; Ribas, Joan","Tuning the topologies of MnII complexes with 3-(2-pyridyl)pyrazole and carboxylate ligands by intramolecular hydrogen bonds and the geometries of pendant ligands: crystal structures and magnetic properties","CrystEngComm","2005","7","118","722","","10.1039/b513269j","","","0.71073","MoKα","","0.1503","0.0576","","","0.0918","0.1175","","","","","","0.946","","","","has coordinates","244077","2020-10-21","18:00:00",""
"7238136","12.203","0.004","21.137","0.004","10.774","0.004","90","","90","","90","","2779","1.5","293","2","293","2","","","","","","","","5","C c c 2","C 2 -2c","37","","","","- C30 H24 Mn N6 O4 -","- C30 H24 Mn N6 O4 -","- C120 H96 Mn4 N24 O16 -","4","0.5","","Zou, Ru-Qiang; Liu, Chun-Sen; Shi, Xue-Song; Bu, Xian-He; Ribas, Joan","Tuning the topologies of MnII complexes with 3-(2-pyridyl)pyrazole and carboxylate ligands by intramolecular hydrogen bonds and the geometries of pendant ligands: crystal structures and magnetic properties","CrystEngComm","2005","7","118","722","","10.1039/b513269j","","","0.71073","MoKα","","0.0767","0.0403","","","0.0897","0.1089","","","","","","1.021","","","","has coordinates","244077","2020-10-21","18:00:00",""
"7238137","12.0122","0.0018","10.5592","0.0015","25.048","0.004","90","","90","","90","","3177.1","0.8","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C38 H28 Mn N6 O4 -","- C38 H28 Mn N6 O4 -","- C152 H112 Mn4 N24 O16 -","4","0.5","","Zou, Ru-Qiang; Liu, Chun-Sen; Shi, Xue-Song; Bu, Xian-He; Ribas, Joan","Tuning the topologies of MnII complexes with 3-(2-pyridyl)pyrazole and carboxylate ligands by intramolecular hydrogen bonds and the geometries of pendant ligands: crystal structures and magnetic properties","CrystEngComm","2005","7","118","722","","10.1039/b513269j","","","0.71073","MoKα","","0.0682","0.036","","","0.0886","0.0984","","","","","","1.035","","","","has coordinates","244077","2020-10-21","18:00:00",""
"7238138","8.6036","0.001","12.7431","0.0015","14.4016","0.0016","90","","90","","90","","1578.9","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H5 Cl2 N O -","- C7 H5 Cl2 N O -","- C56 H40 Cl16 N8 O8 -","8","1","","Omondi, B.; Fernandes, M. A.; Layh, M.; Levendis, D. C.; Look, J. L.; Mkwizu, T. S. P.","Polymorphism and phase transformations in 2,6-disubstituted N-phenylformamides: the influence of hydrogen bonding, chloro-methyl exchange, intermolecular interactions and disorder","CrystEngComm","2005","7","114","690","","10.1039/b513882e","","","0.71073","MoKα","","0.0468","0.0309","","","0.0784","0.085","","","","","","1.045","","","","has coordinates","244078","2020-10-21","18:00:00",""
"7238139","4.3539","0.0008","13.406","0.003","14.073","0.003","90","","92.616","0.004","90","","820.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H5 Cl2 N O -","- C7 H5 Cl2 N O -","- C28 H20 Cl8 N4 O4 -","4","1","","Omondi, B.; Fernandes, M. A.; Layh, M.; Levendis, D. C.; Look, J. L.; Mkwizu, T. S. P.","Polymorphism and phase transformations in 2,6-disubstituted N-phenylformamides: the influence of hydrogen bonding, chloro-methyl exchange, intermolecular interactions and disorder","CrystEngComm","2005","7","114","690","","10.1039/b513882e","","","0.71073","MoKα","","0.0646","0.0485","","","0.1443","0.1573","","","","","","0.974","","","","has coordinates","244078","2020-10-21","18:00:00",""
"7238140","8.4446","0.0002","12.9028","0.0003","14.4186","0.0003","90","","90","","90","","1571.04","0.06","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","2,6-chloromethyl-N-phenylformamide","","","- C8 H8 Cl N O -","- C8 H8 Cl N O -","- C64 H64 Cl8 N8 O8 -","8","1","","Omondi, B.; Fernandes, M. A.; Layh, M.; Levendis, D. C.; Look, J. L.; Mkwizu, T. S. P.","Polymorphism and phase transformations in 2,6-disubstituted N-phenylformamides: the influence of hydrogen bonding, chloro-methyl exchange, intermolecular interactions and disorder","CrystEngComm","2005","7","114","690","","10.1039/b513882e","","","0.71073","MoKα","","0.0454","0.0405","","","0.1049","0.1086","","","","","","1.06","","","","has coordinates,has disorder","244078","2020-10-21","18:00:00",""
"7238141","13.498","0.003","4.3186","0.001","14.938","0.003","90","","111.365","0.004","90","","810.9","0.3","173","2","173","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","2,6-chloromethyl-N-phenylformamide","","","- C8 H8 Cl N O -","- C8 H8 Cl N O -","- C32 H32 Cl4 N4 O4 -","4","1","","Omondi, B.; Fernandes, M. A.; Layh, M.; Levendis, D. C.; Look, J. L.; Mkwizu, T. S. P.","Polymorphism and phase transformations in 2,6-disubstituted N-phenylformamides: the influence of hydrogen bonding, chloro-methyl exchange, intermolecular interactions and disorder","CrystEngComm","2005","7","114","690","","10.1039/b513882e","","","0.71073","MoKα","","0.0506","0.0395","","","0.1021","0.1111","","","","","","1.053","","","","has coordinates,has disorder","244078","2020-10-21","18:00:00",""
"7238142","4.5023","0.0004","8.5886","0.0008","21.297","0.002","90","","90","","90","","823.52","0.13","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2,6-dimethyl-N-phenylformamide","","","- C9 H11 N O -","- C9 H11 N O -","- C36 H44 N4 O4 -","4","1","","Omondi, B.; Fernandes, M. A.; Layh, M.; Levendis, D. C.; Look, J. L.; Mkwizu, T. S. P.","Polymorphism and phase transformations in 2,6-disubstituted N-phenylformamides: the influence of hydrogen bonding, chloro-methyl exchange, intermolecular interactions and disorder","CrystEngComm","2005","7","114","690","","10.1039/b513882e","","","0.71073","MoKα","","0.0348","0.031","","","0.1001","0.1074","","","","","","0.664","","","","has coordinates","244078","2020-10-21","18:00:00",""
"7238143","14.645","0.0005","11.5719","0.0004","15.0033","0.0005","90","","102.896","0.001","90","","2478.48","0.15","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1,5-dichloro-trans-9,10-diethynyl-9,10-dihydroxy-9,10- dihydroanthracene","","","- C26 H29 Cl2 N O4 -","- C26 H29 Cl2 N O4 -","- C104 H116 Cl8 N4 O16 -","4","1","","Mondal, Raju; Howard, Judith A. K.","Polymorphism study of a three-component system showing encapsulation of ion pairs and a zwitterion","CrystEngComm","2010","12","11","3786","","10.1039/b917956a","","","0.71073","MoKα","","0.0567","0.0408","","","0.0977","0.1041","","","","","","0.949","","","","has coordinates","244081","2020-10-21","18:00:00",""
"7238144","7.4892","0.0004","13.3457","0.0007","24.0116","0.0013","90","","90.709","0.002","90","","2399.7","0.2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1,5-dichloro-trans-9,10-diethynyl-9,10-dihydroxy-9,10- dihydroanthracene","1,5-dichloro-trans-9,10-diethynyl-9,10-dihydroxy-9,10- dihydroanthracene","","- C26 H29 Cl2 N O4 -","- C26 H29 Cl2 N O4 -","- C104 H116 Cl8 N4 O16 -","4","1","","Mondal, Raju; Howard, Judith A. K.","Polymorphism study of a three-component system showing encapsulation of ion pairs and a zwitterion","CrystEngComm","2010","12","11","3786","","10.1039/b917956a","","","0.71073","MoKα","","0.1097","0.0476","","","0.09","0.1042","","","","","","0.828","","","","has coordinates,has disorder","244081","2020-10-21","18:00:00",""
"7238145","9.2741","0.0002","15.3177","0.0003","15.8154","0.0003","90","","91.025","0.001","90","","2246.34","0.08","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H25 Cl2 N O3 -","- C24 H25 Cl2 N O3 -","- C96 H100 Cl8 N4 O12 -","4","1","","Mondal, Raju; Howard, Judith A. K.","Polymorphism study of a three-component system showing encapsulation of ion pairs and a zwitterion","CrystEngComm","2010","12","11","3786","","10.1039/b917956a","","","0.71073","MoKα","","0.0649","0.0418","","","0.1004","0.1086","","","","","","1.041","","","","has coordinates,has disorder","244081","2020-10-21","18:00:00",""
"7238146","19.03","0.004","7.23","0.0014","23.644","0.009","90","","123.76","0.02","90","","2704.5","1.4","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C51 H26 Co2 F18 O12 -","- C51 H26 Co2 F18 O12 -","- C102 H52 Co4 F36 O24 -","2","0.5","","Jiang, Hai-Long; Xu, Qiang","Counterion-induced controllable assembly of 2D and 3D metal‒organic frameworks: effect of coordination modes of dinuclear Cu(ii) paddle-wheel motifs","CrystEngComm","2010","12","11","3815","","10.1039/b921532h","","","0.71073","MoKα","","0.0531","0.0393","","","0.0906","0.0982","","","","","","1.029","","","","has coordinates","244082","2020-10-21","18:00:00",""
"7238147","12.71","0.003","6.98","0.0014","23.624","0.007","90","","118.5","0.02","90","","1841.8","0.9","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C17 H10 Cu F6 O5 -","- C17 H10 Cu F6 O5 -","- C68 H40 Cu4 F24 O20 -","4","1","","Jiang, Hai-Long; Xu, Qiang","Counterion-induced controllable assembly of 2D and 3D metal‒organic frameworks: effect of coordination modes of dinuclear Cu(ii) paddle-wheel motifs","CrystEngComm","2010","12","11","3815","","10.1039/b921532h","","","0.71073","MoKα","","0.0981","0.0704","","","0.1264","0.141","","","","","","1.049","","","","has coordinates","244082","2020-10-21","18:00:00",""
"7238148","18.76","0.004","7.28","0.0015","23.402","0.009","90","","123.12","0.02","90","","2676.8","1.4","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C51 H26 Cu2 F18 O12 -","- C51 H26 Cu2 F18 O12 -","- C102 H52 Cu4 F36 O24 -","2","0.5","","Jiang, Hai-Long; Xu, Qiang","Counterion-induced controllable assembly of 2D and 3D metal‒organic frameworks: effect of coordination modes of dinuclear Cu(ii) paddle-wheel motifs","CrystEngComm","2010","12","11","3815","","10.1039/b921532h","","","0.71073","MoKα","","0.1051","0.0418","","","0.0862","0.1219","","","","","","1.085","","","","has coordinates","244082","2020-10-21","18:00:00",""
"7238149","16.769","0.003","12.475","0.003","12.346","0.003","90","","90","","90","","2582.7","1","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H28 Co N4 O7 -","- C24 H28 Co N4 O7 -","- C96 H112 Co4 N16 O28 -","4","1","","Liu, Yang; Qi, Yan; Su, Yan-Hua; Zhao, Fang-Hua; Che, Yun-Xia; Zheng, Ji-Min","Five novel cobalt coordination polymers: effect of metal‒ligand ratio and structure characteristics of flexible bis(imidazole) ligands","CrystEngComm","2010","12","10","3283","","10.1039/b925829a","","x-ray","0.71073","MoKα","","0.0387","0.0333","","","0.0817","0.0845","","","","","","1.041","","","","has coordinates","244084","2020-10-21","18:00:00",""
"7238150","18.757","0.004","15.943","0.003","21.933","0.009","90","","118.48","0.02","90","","5765","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H58 Co2 N12 O11 -","- C58 H58 Co2 N12 O11 -","- C232 H232 Co8 N48 O44 -","4","1","","Liu, Yang; Qi, Yan; Su, Yan-Hua; Zhao, Fang-Hua; Che, Yun-Xia; Zheng, Ji-Min","Five novel cobalt coordination polymers: effect of metal‒ligand ratio and structure characteristics of flexible bis(imidazole) ligands","CrystEngComm","2010","12","10","3283","","10.1039/b925829a","","","0.71073","MoKα","","0.0912","0.0505","","","0.1109","0.1275","","","","","","1.028","","","","has coordinates,has disorder","244084","2020-10-21","18:00:00",""
"7238151","11.568","0.002","14.658","0.003","16.15","0.006","90","","116.52","0.02","90","","2450.3","1.2","293","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C112 H88 Co4 N16 O16 -","- C112 H88 Co4 N16 O16 -","- C112 H88 Co4 N16 O16 -","1","0.25","","Liu, Yang; Qi, Yan; Su, Yan-Hua; Zhao, Fang-Hua; Che, Yun-Xia; Zheng, Ji-Min","Five novel cobalt coordination polymers: effect of metal‒ligand ratio and structure characteristics of flexible bis(imidazole) ligands","CrystEngComm","2010","12","10","3283","","10.1039/b925829a","","x-ray","0.71073","MoKα","","0.0448","0.0357","","","0.0884","0.0924","","","","","","1.027","","","","has coordinates","244084","2020-10-21","18:00:00",""
"7238152","18.37","0.004","9.5403","0.0019","21.034","0.004","90","","90","","90","","3686.3","1.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H15 Co N2 O4.25 -","- C21 H15 Co N2 O4.25 -","- C168 H120 Co8 N16 O34 -","8","1","","Liu, Yang; Qi, Yan; Su, Yan-Hua; Zhao, Fang-Hua; Che, Yun-Xia; Zheng, Ji-Min","Five novel cobalt coordination polymers: effect of metal‒ligand ratio and structure characteristics of flexible bis(imidazole) ligands","CrystEngComm","2010","12","10","3283","","10.1039/b925829a","","","0.71073","MoKα","","0.162","0.0619","","","0.1107","0.1422","","","","","","0.939","","","","has coordinates","244084","2020-10-21","18:00:00",""
"7238153","12.345","0.003","11.545","0.002","18.41","0.007","90","","112.69","0.03","90","","2420.8","1.3","293","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 Co N4 O4 -","- C26 H26 Co N4 O4 -","- C104 H104 Co4 N16 O16 -","4","1","","Liu, Yang; Qi, Yan; Su, Yan-Hua; Zhao, Fang-Hua; Che, Yun-Xia; Zheng, Ji-Min","Five novel cobalt coordination polymers: effect of metal‒ligand ratio and structure characteristics of flexible bis(imidazole) ligands","CrystEngComm","2010","12","10","3283","","10.1039/b925829a","","x-ray","0.71073","MoKα","","0.0839","0.0458","","","0.0915","0.1039","","","","","","1.013","","","","has coordinates","244084","2020-10-21","18:00:00",""
"7238154","7.285","0.002","7.587","0.002","12.792","0.004","91.046","0.005","97.523","0.005","95.694","0.005","697.1","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H14 O8 Zn -","- C14 H14 O8 Zn -","- C28 H28 O16 Zn2 -","2","1","","Ji, Chang-Chun; Li, Jing; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Eight new complexes based on flexible multicarboxylate ligands: synthesis, structures and properties","CrystEngComm","2010","12","10","3183","","10.1039/b926324a","","","0.71073","MoKα","","0.0447","0.0381","","","0.0908","0.0932","","","","","","1","","","","has coordinates","244085","2020-10-21","18:00:00",""
"7238155","6.9596","0.0009","8.2468","0.0011","13.2496","0.0018","87.769","0.003","82.874","0.002","69.443","0.002","706.52","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H14 Cd O8 -","- C14 H14 Cd O8 -","- C28 H28 Cd2 O16 -","2","1","","Ji, Chang-Chun; Li, Jing; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Eight new complexes based on flexible multicarboxylate ligands: synthesis, structures and properties","CrystEngComm","2010","12","10","3183","","10.1039/b926324a","","","0.71073","MoKα","","0.0377","0.0315","","","0.0808","0.0956","","","","","","0.996","","","","has coordinates","244085","2020-10-21","18:00:00",""
"7238156","4.6809","0.0009","5.7625","0.0011","26.781","0.005","87.236","0.004","89.406","0.003","84.635","0.003","718.4","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H16 Co O9 -","- C14 H16 Co O9 -","- C28 H32 Co2 O18 -","2","1","","Ji, Chang-Chun; Li, Jing; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Eight new complexes based on flexible multicarboxylate ligands: synthesis, structures and properties","CrystEngComm","2010","12","10","3183","","10.1039/b926324a","","","0.71073","MoKα","","0.0566","0.045","","","0.0994","0.1042","","","","","","1.002","","","","has coordinates","244085","2020-10-21","18:00:00",""
"7238157","14.702","0.002","7.6396","0.0012","12.976","0.002","90","","92.489","0.003","90","","1456.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 Eu N O9 -","- C14 H12 Eu N O9 -","- C56 H48 Eu4 N4 O36 -","4","1","","Ji, Chang-Chun; Li, Jing; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Eight new complexes based on flexible multicarboxylate ligands: synthesis, structures and properties","CrystEngComm","2010","12","10","3183","","10.1039/b926324a","","","0.71073","MoKα","","0.0547","0.04","","","0.083","0.0869","","","","","","1.001","","","","has coordinates","244085","2020-10-21","18:00:00",""
"7238158","14.687","0.0016","7.6577","0.0008","12.9674","0.0014","90","","92.456","0.002","90","","1457.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N O9 Sm -","- C14 H12 N O9 Sm -","- C56 H48 N4 O36 Sm4 -","4","1","","Ji, Chang-Chun; Li, Jing; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Eight new complexes based on flexible multicarboxylate ligands: synthesis, structures and properties","CrystEngComm","2010","12","10","3183","","10.1039/b926324a","","","0.71073","MoKα","","0.0456","0.0385","","","0.0931","0.0973","","","","","","0.999","","","","has coordinates","244085","2020-10-21","18:00:00",""
"7238159","6.1081","0.0011","7.8775","0.0015","15.452","0.003","77.892","0.003","87.069","0.004","88.392","0.004","725.9","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H14 Cd O7 -","- C16 H14 Cd O7 -","- C32 H28 Cd2 O14 -","2","1","","Ji, Chang-Chun; Li, Jing; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Eight new complexes based on flexible multicarboxylate ligands: synthesis, structures and properties","CrystEngComm","2010","12","10","3183","","10.1039/b926324a","","","0.71073","MoKα","","0.0618","0.0468","","","0.0776","0.0821","","","","","","1.001","","","","has coordinates","244085","2020-10-21","18:00:00",""
"7238160","4.9236","0.001","5.7501","0.0011","15.143","0.003","88.367","0.003","83.723","0.003","83.308","0.003","423.19","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H20 Co O10 -","- C16 H20 Co O10 -","- C16 H20 Co O10 -","1","0.5","","Ji, Chang-Chun; Li, Jing; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Eight new complexes based on flexible multicarboxylate ligands: synthesis, structures and properties","CrystEngComm","2010","12","10","3183","","10.1039/b926324a","","","0.71073","MoKα","","0.0467","0.0428","","","0.1101","0.1129","","","","","","1.004","","","","has coordinates","244085","2020-10-21","18:00:00",""
"7238161","4.9002","0.0016","5.7233","0.0018","15.147","0.005","88.524","0.007","83.761","0.006","83.354","0.006","419.4","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H20 Ni O10 -","- C16 H20 Ni O10 -","- C16 H20 Ni O10 -","1","0.5","","Ji, Chang-Chun; Li, Jing; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Eight new complexes based on flexible multicarboxylate ligands: synthesis, structures and properties","CrystEngComm","2010","12","10","3183","","10.1039/b926324a","","","0.71073","MoKα","","0.0535","0.0468","","","0.1092","0.1125","","","","","","1","","","","has coordinates","244085","2020-10-21","18:00:00",""
"7238162","3.92","0.0003","12.979","0.001","12.2368","0.0009","90","","93.153","0.003","90","","621.64","0.08","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.1675","0.0722","","","0.1523","0.1794","","","","","","1.12","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238163","3.92","0.0003","12.979","0.001","12.2368","0.0009","90","","93.153","0.003","90","","621.64","0.08","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.1534","0.0586","","","0.1106","0.1467","","","","","","0.918","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238164","3.91412","0.00016","12.9559","0.0006","12.2307","0.0006","90","","93.221","0.004","90","","619.25","0.05","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71","synchrotron","","0.0596","0.047","","","0.158","0.1741","","","","","","1.07","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238165","3.91412","0.00016","12.9559","0.0006","12.2307","0.0006","90","","93.221","0.004","90","","619.25","0.05","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71","synchrotron","","0.0597","0.0471","","","0.1559","0.1723","","","","","","1.06","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238166","3.9164","0.0002","12.9581","0.0006","12.237","0.0005","90","","93.238","0.002","90","","620.03","0.05","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.0983","0.0558","","","0.0997","0.1094","","","","","","1.184","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238167","3.9164","0.0002","12.9581","0.0006","12.237","0.0005","90","","93.238","0.002","90","","620.03","0.05","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.0898","0.0478","","","0.0777","0.0903","","","","","","0.978","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238168","3.91","0.0002","12.9349","0.0007","12.221","0.0006","90","","93.352","0.002","90","","617.03","0.06","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.1046","0.0539","","","0.1092","0.1222","","","","","","1.18","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238169","3.91","0.0002","12.9349","0.0007","12.221","0.0006","90","","93.352","0.002","90","","617.03","0.06","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.0968","0.0461","","","0.0884","0.1051","","","","","","1.016","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238170","3.9182","0.0002","12.9555","0.0008","12.2381","0.0007","90","","93.254","0.003","90","","620.23","0.06","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.1507","0.075","","","0.2164","0.2512","","","","","","1.071","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238171","3.9182","0.0002","12.9555","0.0008","12.2381","0.0007","90","","93.254","0.003","90","","620.23","0.06","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.1446","0.0685","","","0.1777","0.2215","","","","","","0.945","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238172","3.9236","0.0003","12.974","0.0008","12.2406","0.0007","90","","93.175","0.003","90","","622.15","0.07","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.1271","0.0601","","","0.1277","0.1438","","","","","","1.168","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238173","3.9236","0.0003","12.974","0.0008","12.2406","0.0007","90","","93.175","0.003","90","","622.15","0.07","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.1202","0.0531","","","0.106","0.1255","","","","","","1.021","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238174","3.9236","0.0003","25.948","0.0008","24.4812","0.0007","90","","93.175","0.003","90","","2488.6","0.2","293","2","293","2","","","","","","","","5","A 1","A 1","1","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C112 H80 Cl8 N8 O16 -","8","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.1429","0.0709","","","0.129","0.1536","","","","","","0.965","","","","has coordinates,has disorder","244087","2020-10-21","18:00:00",""
"7238175","3.9239","0.0002","12.9733","0.0006","12.2398","0.0006","90","","93.192","0.002","90","","622.11","0.05","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.0967","0.0586","","","0.1454","0.1572","","","","","","1.217","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238176","3.9239","0.0002","12.9733","0.0006","12.2398","0.0006","90","","93.192","0.002","90","","622.11","0.05","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.0879","0.0494","","","0.1116","0.1278","","","","","","0.991","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238177","3.9239","0.0002","25.9466","0.0006","24.4796","0.0006","90","","93.192","0.002","90","","2488.45","0.15","293","2","293","2","","","","","","","","5","A 1","A 1","1","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C112 H80 Cl8 N8 O16 -","8","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.1071","0.0649","","","0.1053","0.1191","","","","","","1.002","","","","has coordinates,has disorder","244087","2020-10-21","18:00:00",""
"7238178","3.922","0.0002","12.9245","0.0007","12.3038","0.0007","90","","92.957","0.002","90","","622.85","0.06","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.1093","0.0552","","","0.1541","0.1858","","","","","","1.052","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238179","3.922","0.0002","12.9245","0.0007","12.3038","0.0007","90","","92.957","0.002","90","","622.85","0.06","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.1079","0.0543","","","0.1511","0.1835","","","","","","1.039","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238180","3.91649","0.0001","12.9357","0.0003","12.3004","0.0003","90","","92.999","0.002","90","","622.32","0.03","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71","synchrotron","","0.0724","0.0555","","","0.1823","0.2053","","","","","","1.044","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238181","3.91649","0.0001","12.9357","0.0003","12.3004","0.0003","90","","92.999","0.002","90","","622.32","0.03","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71","synchrotron","","0.0718","0.055","","","0.1777","0.2016","","","","","","1.025","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238182","3.9118","0.0002","12.947","0.0005","12.226","0.0004","90","","93.191","0.002","90","","618.24","0.04","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.0668","0.0442","","","0.1172","0.1286","","","","","","1.097","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238183","3.9118","0.0002","12.947","0.0005","12.226","0.0004","90","","93.191","0.002","90","","618.24","0.04","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.065","0.0425","","","0.1064","0.1195","","","","","","1.021","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238184","3.9227","0.0002","12.9764","0.0007","12.2535","0.0006","90","","93.2","0.002","90","","622.76","0.06","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.137","0.0802","","","0.2413","0.2719","","","","","","1.112","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238185","3.9227","0.0002","12.9764","0.0007","12.2535","0.0006","90","","93.2","0.002","90","","622.76","0.06","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.1239","0.0669","","","0.1727","0.2176","","","","","","0.89","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238186","3.9227","0.0002","25.9528","0.0007","24.507","0.0006","90","","93.2","0.002","90","","2491.05","0.16","293","2","293","2","","","","","","","","5","A 1","A 1","1","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C112 H80 Cl8 N8 O16 -","8","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.1419","0.0746","","","0.1949","0.2417","","","","","","0.997","","","","has coordinates,has disorder","244087","2020-10-21","18:00:00",""
"7238187","3.9216","0.0003","12.9663","0.001","12.2348","0.0009","90","","93.153","0.003","90","","621.18","0.08","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.1832","0.0706","","","0.1595","0.2167","","","","","","0.94","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238188","3.9216","0.0003","12.9663","0.001","12.2348","0.0009","90","","93.153","0.003","90","","621.18","0.08","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.1831","0.0706","","","0.1595","0.2167","","","","","","0.94","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238189","3.9221","0.0004","12.9733","0.0012","12.2509","0.0012","90","","93.149","0.003","90","","622.42","0.11","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.161","0.0493","","","0.0987","0.1333","","","","","","0.941","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238190","3.9221","0.0004","12.9733","0.0012","12.2509","0.0012","90","","93.149","0.003","90","","622.42","0.11","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.161","0.0493","","","0.0987","0.1333","","","","","","0.941","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238191","3.9208","0.0002","12.9696","0.0007","12.2508","0.0007","90","","93.138","0.002","90","","622.03","0.06","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.1076","0.045","","","0.0971","0.1216","","","","","","1.011","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238192","3.9208","0.0002","12.9696","0.0007","12.2508","0.0007","90","","93.138","0.002","90","","622.03","0.06","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.1068","0.0446","","","0.0955","0.1203","","","","","","1.001","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238193","3.922","0.0002","12.9786","0.0005","12.2507","0.0006","90","","93.128","0.002","90","","622.66","0.05","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.0751","0.0435","","","0.1194","0.1386","","","","","","1.029","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238194","3.922","0.0002","12.9786","0.0005","12.2507","0.0006","90","","93.128","0.002","90","","622.66","0.05","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.0739","0.0419","","","0.1112","0.1324","","","","","","0.984","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238195","3.9192","0.0001","12.963","0.0004","12.2399","0.0004","90","0.002","93.188","0.002","90","0.002","620.88","0.03","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.0611","0.042","","","0.1107","0.1222","","","","","","1.083","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238196","3.9192","0.0001","12.963","0.0004","12.2399","0.0004","90","0.002","93.188","0.002","90","0.002","620.88","0.03","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.06","0.0408","","","0.1041","0.1168","","","","","","1.036","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238197","3.9173","0.0001","12.9563","0.0003","12.2343","0.0003","90","0.001","93.151","0.001","90","0.001","620","0.03","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.0622","0.0445","","","0.1168","0.1269","","","","","","1.081","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238198","3.9173","0.0001","12.9563","0.0003","12.2343","0.0003","90","0.001","93.151","0.001","90","0.001","620","0.03","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.0607","0.0431","","","0.1082","0.1192","","","","","","1.017","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238199","3.9173","0.0001","25.9126","0.0003","24.4686","0.0003","90","0.001","93.151","0.001","90","0.001","2479.99","0.08","293","2","293","2","","","","","","","","5","A 1","A 1","1","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C112 H80 Cl8 N8 O16 -","8","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.1131","0.0566","","","0.1222","0.1496","","","","","","0.986","","","","has coordinates,has disorder","244087","2020-10-21","18:00:00",""
"7238200","3.91514","0.00005","12.96036","0.00016","12.22634","0.00016","90","","93.1916","0.0012","90","","619.422","0.014","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71","synchrotron","","0.0555","0.048","","","0.1487","0.1532","","","","","","1.138","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238201","3.91514","0.00005","12.96036","0.00016","12.22634","0.00016","90","","93.1916","0.0012","90","","619.422","0.014","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71","synchrotron","","0.0506","0.0435","","","0.122","0.1275","","","","","","0.949","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238202","3.9239","0.0003","12.9707","0.0009","12.2375","0.0008","90","","93.236","0.003","90","","621.84","0.08","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.1213","0.0603","","","0.1208","0.1367","","","","","","1.153","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238203","3.9239","0.0003","12.9707","0.0009","12.2375","0.0008","90","","93.236","0.003","90","","621.84","0.08","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.111","0.0499","","","0.0887","0.1104","","","","","","0.932","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238204","7.9968","0.0016","11.764","0.002","11.929","0.002","74.18","0.03","88.87","0.03","89.89","0.03","1079.5","0.4","113","2","113","2","","","","","","","","4","P -1","-P 1","2","DIPZ","DIPZ","","- C28 H22 N4 O2 -","- C28 H22 N4 O2 -","- C56 H44 N8 O4 -","2","1","","Wang, Ting; Wang, He-Fang; Yan, Xiu-Ping","Fabrication of anion complexes from 5,6-dihydrodiindolo[3,2-a:2′,3′-c]phenazine as a building block","CrystEngComm","2010","12","10","3177","","10.1039/b927229a","","","0.71073","MoKα","","0.0969","0.0543","","","0.1147","0.1328","","","","","","0.971","","","","has coordinates","244088","2020-10-21","18:00:00",""
"7238205","41.692","0.008","8.3351","0.0017","22.227","0.004","90","","95.7","0.03","90","","7686","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","DIPZ+HSO4","","","- C40 H51 N5 O4 S -","- C40 H51 N5 O4 S -","- C320 H408 N40 O32 S8 -","8","1","","Wang, Ting; Wang, He-Fang; Yan, Xiu-Ping","Fabrication of anion complexes from 5,6-dihydrodiindolo[3,2-a:2′,3′-c]phenazine as a building block","CrystEngComm","2010","12","10","3177","","10.1039/b927229a","","","0.71073","MoKα","","0.1007","0.0686","","","0.193","0.2171","","","","","","1.057","","","","has coordinates","244088","2020-10-21","18:00:00",""
"7238206","13.188","0.003","14.799","0.003","18.574","0.004","90","","90","","90","","3625.1","1.4","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","DIPZ+Br","","","- C40 H50 Br N5 -","- C40 H50 Br N5 -","- C160 H200 Br4 N20 -","4","1","","Wang, Ting; Wang, He-Fang; Yan, Xiu-Ping","Fabrication of anion complexes from 5,6-dihydrodiindolo[3,2-a:2′,3′-c]phenazine as a building block","CrystEngComm","2010","12","10","3177","","10.1039/b927229a","","","0.71073","MoKα","","0.1193","0.0752","","","0.1594","0.1833","","","","","","0.986","","","","has coordinates,has disorder","244088","2020-10-21","18:00:00",""
"7238207","13.965","0.003","20.364","0.004","15.881","0.003","90","","94.42","0.03","90","","4502.9","1.6","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DIPZ+BzO","","","- C51 H63 N5 O4 -","- C51 H63 N5 O4 -","- C204 H252 N20 O16 -","4","1","","Wang, Ting; Wang, He-Fang; Yan, Xiu-Ping","Fabrication of anion complexes from 5,6-dihydrodiindolo[3,2-a:2′,3′-c]phenazine as a building block","CrystEngComm","2010","12","10","3177","","10.1039/b927229a","","","0.71073","MoKα","","0.1777","0.0969","","","0.247","0.2948","","","","","","1.002","","","","has coordinates,has disorder","244088","2020-10-21","18:00:00",""
"7238208","22.428","0.006","8.4214","0.0017","19.787","0.008","90","","113.21","0.03","90","","3435","2","113","2","113","2","","","","","","","","4","C 1 c 1","C -2yc","9","DIPZ+F","","","- C40 H50 F N5 -","- C40 H50 F N5 -","- C160 H200 F4 N20 -","4","1","","Wang, Ting; Wang, He-Fang; Yan, Xiu-Ping","Fabrication of anion complexes from 5,6-dihydrodiindolo[3,2-a:2′,3′-c]phenazine as a building block","CrystEngComm","2010","12","10","3177","","10.1039/b927229a","","","0.71073","MoKα","","0.0972","0.0626","","","0.1297","0.14","","","","","","1.011","","","","has coordinates","244088","2020-10-21","18:00:00",""
"7238209","21.802","0.004","8.4417","0.0017","22.56","0.005","90","","118.82","0.03","90","","3637.8","1.7","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DIPZ+OAc","","","- C42 H53 N5 O2 -","- C42 H53 N5 O2 -","- C168 H212 N20 O8 -","4","1","","Wang, Ting; Wang, He-Fang; Yan, Xiu-Ping","Fabrication of anion complexes from 5,6-dihydrodiindolo[3,2-a:2′,3′-c]phenazine as a building block","CrystEngComm","2010","12","10","3177","","10.1039/b927229a","","","0.71073","MoKα","","0.0715","0.0521","","","0.1266","0.1389","","","","","","1.058","","","","has coordinates","244088","2020-10-21","18:00:00",""
"7238210","9.5475","0.0019","21.996","0.005","17.778","0.004","90","","96.892","0.004","90","","3706.5","1.4","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","DIPZ+SiF6","","","- C80 H100 F6 N10 Si -","- C80 H100 F6 N10 Si -","- C160 H200 F12 N20 Si2 -","2","0.5","","Wang, Ting; Wang, He-Fang; Yan, Xiu-Ping","Fabrication of anion complexes from 5,6-dihydrodiindolo[3,2-a:2′,3′-c]phenazine as a building block","CrystEngComm","2010","12","10","3177","","10.1039/b927229a","","","0.71073","MoKα","","0.123","0.05","","","0.1108","0.1446","","","","","","1.003","","","","has coordinates","244088","2020-10-21","18:00:00",""
"7238211","6.7699","0.0004","12.5368","0.0007","12.755","0.0006","90","","104.12","0.004","90","","1049.85","0.1","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H14 Co O4 -","- C10 H14 Co O4 -","- C40 H56 Co4 O16 -","4","2","","Wu, Jing-Yun; Huang, Sheng-Ming; Chiang, Ming-Hsi","Hydro(solvo)thermal synthesis of homochiral metal‒camphorate coordination polymers","CrystEngComm","2010","12","11","3909","","10.1039/c000872a","","","0.71073","MoKα","","0.101","0.0551","","","0.1021","0.1186","","","","","","0.942","","","","has coordinates","244089","2020-10-21","18:00:00",""
"7238212","13.361","0.0007","13.0991","0.0006","13.361","0.0007","90","","116.375","0.001","90","","2094.99","0.18","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H60 Cu2 O16 -","- C40 H60 Cu2 O16 -","- C80 H120 Cu4 O32 -","2","1","","Wu, Jing-Yun; Huang, Sheng-Ming; Chiang, Ming-Hsi","Hydro(solvo)thermal synthesis of homochiral metal‒camphorate coordination polymers","CrystEngComm","2010","12","11","3909","","10.1039/c000872a","","","0.71073","MoKα","","0.0759","0.0535","","","0.1146","0.1366","","","","","","0.962","","","","has coordinates","244089","2020-10-21","18:00:00",""
"7238213","10.5301","0.0005","13.1928","0.0009","17.04","","90","","107.961","0.005","90","","2251.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 N3 O2 S2 -","- C9 H9 N3 O2 S2 -","- C72 H72 N24 O16 S16 -","8","2","","McArdle, Patrick; Hu, Yun; Lyons, Aoife; Dark, Rex","Predicting and understanding crystal morphology: the morphology of benzoic acid and the polymorphs of sulfathiazole","CrystEngComm","2010","12","10","3119","","10.1039/c001071e","","","0.7107","MoKα","","0.1036","0.0386","","","0.0959","0.1067","","","","","","0.827","","","","has coordinates","244090","2020-10-21","18:00:00",""
"7238214","8.2241","0.0004","8.5725","0.0004","15.5081","0.0007","90","","93.794","0.004","90","","1090.94","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 N3 O2 S2 -","- C9 H9 N3 O2 S2 -","- C36 H36 N12 O8 S8 -","4","1","","McArdle, Patrick; Hu, Yun; Lyons, Aoife; Dark, Rex","Predicting and understanding crystal morphology: the morphology of benzoic acid and the polymorphs of sulfathiazole","CrystEngComm","2010","12","10","3119","","10.1039/c001071e","","","0.7107","MoKα","","0.0377","0.0325","","","0.0874","0.092","","","","","","0.887","","","","has coordinates","244090","2020-10-21","18:00:00",""
"7238215","17.5911","0.0011","8.5439","0.0004","15.594","0.001","90","","113.022","0.008","90","","2157.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 N3 O2 S2 -","- C9 H9 N3 O2 S2 -","- C72 H72 N24 O16 S16 -","8","2","","McArdle, Patrick; Hu, Yun; Lyons, Aoife; Dark, Rex","Predicting and understanding crystal morphology: the morphology of benzoic acid and the polymorphs of sulfathiazole","CrystEngComm","2010","12","10","3119","","10.1039/c001071e","","","0.7107","MoKα","","0.0597","0.0324","","","0.0708","0.0748","","","","","","0.856","","","","has coordinates","244090","2020-10-21","18:00:00",""
"7238216","10.8598","0.0003","8.5347","0.0002","11.4387","0.0003","90","","91.941","0.002","90","","1059.59","0.05","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 N3 O2 S2 -","- C9 H9 N3 O2 S2 -","- C36 H36 N12 O8 S8 -","4","1","","McArdle, Patrick; Hu, Yun; Lyons, Aoife; Dark, Rex","Predicting and understanding crystal morphology: the morphology of benzoic acid and the polymorphs of sulfathiazole","CrystEngComm","2010","12","10","3119","","10.1039/c001071e","","","0.7107","MoKα","","0.0462","0.0315","","","0.1005","0.1044","","","","","","1.128","","","","has coordinates","244090","2020-10-21","18:00:00",""
"7238217","10.4125","0.0005","15.2429","0.001","14.3121","0.0006","90","","91.042","0.004","90","","2271.2","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 N3 O2 S2 -","- C9 H9 N3 O2 S2 -","- C72 H72 N24 O16 S16 -","8","2","","McArdle, Patrick; Hu, Yun; Lyons, Aoife; Dark, Rex","Predicting and understanding crystal morphology: the morphology of benzoic acid and the polymorphs of sulfathiazole","CrystEngComm","2010","12","10","3119","","10.1039/c001071e","","","0.7107","MoKα","","0.1031","0.051","","","0.1165","0.1288","","","","","","0.985","","","","has coordinates","244090","2020-10-21","18:00:00",""
"7238218","5.84","0.005","4.871","0.004","10.764","0.01","90","","91.656","0.016","90","","306.1","0.5","210","2","210","2","","","","","","","see text","3","P 1 21 1","P 2yb","4","Phenylmethanol","Phenylmethanol","","- C7 H8 O -","- C7 H8 O -","- C14 H16 O2 -","2","1","","Nayak, Susanta K.; Sathishkumar, Ranganathan; Row, T. N. Guru","Directing role of functional groups in selective generation of C‒H⋯π interactions: In situ cryo-crystallographic studies on benzyl derivatives","CrystEngComm","2010","12","10","3112","","10.1039/c001190h","","","0.71073","MoKα","","0.1185","0.0897","","","0.2386","0.2555","","","","","","1.13","","","","has coordinates","244091","2020-10-21","18:00:00",""
"7238219","10.623","0.003","10.623","0.003","5.5031","0.0018","90","","90","","90","","621","0.3","150","2","150","2","","","","","","","see text","3","P 43","P 4cw","78","Phenylmethanamine","Phenylmethanamine","","- C7 H9 N -","- C7 H9 N -","- C28 H36 N4 -","4","1","","Nayak, Susanta K.; Sathishkumar, Ranganathan; Row, T. N. Guru","Directing role of functional groups in selective generation of C‒H⋯π interactions: In situ cryo-crystallographic studies on benzyl derivatives","CrystEngComm","2010","12","10","3112","","10.1039/c001190h","","","0.71073","MoKα","","0.0449","0.0331","","","0.079","0.0837","","","","","","1.075","","","","has coordinates","244091","2020-10-21","18:00:00",""
"7238220","8.2424","0.0019","11.268","0.003","7.8204","0.0018","90","","112.657","0.003","90","","670.3","0.3","150","2","150","2","","","","","","","see text","3","P 1 21/c 1","-P 2ybc","14","1-(Chloromethyl)benzene","1-(Chloromethyl)benzene","","- C7 H7 Cl -","- C7 H7 Cl -","- C28 H28 Cl4 -","4","1","","Nayak, Susanta K.; Sathishkumar, Ranganathan; Row, T. N. Guru","Directing role of functional groups in selective generation of C‒H⋯π interactions: In situ cryo-crystallographic studies on benzyl derivatives","CrystEngComm","2010","12","10","3112","","10.1039/c001190h","","x-ray","0.71073","MoKα","","0.0513","0.0454","","","0.1059","0.1086","","","","","","1.15","","","","has coordinates","244091","2020-10-21","18:00:00",""
"7238221","4.592","0.002","7.737","0.004","9.507","0.005","90","","94.213","0.008","90","","336.9","0.3","150","2","150","2","","","","","","","see text","3","P 1 21 1","P 2yb","4","1-(bromomethyl)benzene","1-(bromomethyl)benzene","","- C7 H7 Br -","- C7 H7 Br -","- C14 H14 Br2 -","2","1","","Nayak, Susanta K.; Sathishkumar, Ranganathan; Row, T. N. Guru","Directing role of functional groups in selective generation of C‒H⋯π interactions: In situ cryo-crystallographic studies on benzyl derivatives","CrystEngComm","2010","12","10","3112","","10.1039/c001190h","","x-ray","0.71073","MoKα","","0.0817","0.0587","","","0.14","0.151","","","","","","1.003","","","","has coordinates","244091","2020-10-21","18:00:00",""
"7238222","5.5515","0.0007","14.8529","0.0019","8.0053","0.001","90","","100.668","0.002","90","","648.68","0.14","150","2","150","2","","","","","","","see text","3","P 1 21/n 1","-P 2yn","14","Phenylmethanethiol","Phenylmethanethiol","","- C7 H8 S -","- C7 H8 S -","- C28 H32 S4 -","4","1","","Nayak, Susanta K.; Sathishkumar, Ranganathan; Row, T. N. Guru","Directing role of functional groups in selective generation of C‒H⋯π interactions: In situ cryo-crystallographic studies on benzyl derivatives","CrystEngComm","2010","12","10","3112","","10.1039/c001190h","","","0.71073","MoKα","","0.0279","0.0272","","","0.0748","0.0753","","","","","","1.105","","","","has coordinates","244091","2020-10-21","18:00:00",""
"7238223","6.914","0.002","7.476","0.003","9.563","0.001","90","","90","","90","","494.3","0.2","150","2","150","2","","","","","","","see text","2","P b c a","-P 2ac 2ab","61","benzene","benzene","","- C6 H6 -","- C6 H6 -","- C24 H24 -","4","0.5","","Nayak, Susanta K.; Sathishkumar, Ranganathan; Row, T. N. Guru","Directing role of functional groups in selective generation of C‒H⋯π interactions: In situ cryo-crystallographic studies on benzyl derivatives","CrystEngComm","2010","12","10","3112","","10.1039/c001190h","","","0.71073","MoKα","","0.1197","0.0554","","","0.0991","0.1159","","","","","","1.061","","","","has coordinates","244091","2020-10-21","18:00:00",""
"7238224","7.5889","0.0011","5.8186","0.0009","26.982","0.004","90","","106.136","0.002","90","","1144.5","0.3","150","2","150","2","","","","","","","see text","2","P 1 21/c 1","-P 2ybc","14","toluene","toluene","","- C7 H8 -","- C7 H8 -","- C56 H64 -","8","2","","Nayak, Susanta K.; Sathishkumar, Ranganathan; Row, T. N. Guru","Directing role of functional groups in selective generation of C‒H⋯π interactions: In situ cryo-crystallographic studies on benzyl derivatives","CrystEngComm","2010","12","10","3112","","10.1039/c001190h","","","0.71073","MoKα","","0.049","0.0439","","","0.1165","0.1204","","","","","","1.061","","","","has coordinates","244091","2020-10-21","18:00:00",""
"7238225","8.134","0.003","8.783","0.002","9.412","0.003","90","","96.368","0.006","90","","668.3","0.4","150","2","150","2","","","","","","","see text","3","P 1 21/n 1","-P 2yn","14","2-phenylacetonitrile","2-phenylacetonitrile","","- C8 H7 N -","- C8 H7 N -","- C32 H28 N4 -","4","1","","Nayak, Susanta K.; Sathishkumar, Ranganathan; Row, T. N. Guru","Directing role of functional groups in selective generation of C‒H⋯π interactions: In situ cryo-crystallographic studies on benzyl derivatives","CrystEngComm","2010","12","10","3112","","10.1039/c001190h","","x-ray","0.71073","MoKα","","0.0635","0.0452","","","0.1","0.1072","","","","","","1.051","","","","has coordinates","244091","2020-10-21","18:00:00",""
"7238226","11.1273","0.0018","6.5676","0.0012","14.1016","0.0019","90","","101.282","0.006","90","","1010.6","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H14 N2 O3 -","- C9 H14 N2 O3 -","- C36 H56 N8 O12 -","4","1","","Graus, Sara; Casabona, Diego; Uriel, Santiago; Cativiela, Carlos; Serrano, José Luis","Supramolecular arrangements based on cyclohexane-5-spirohydantoin derivatives","CrystEngComm","2010","12","10","3132","","10.1039/c001232g","","","0.71073","MoKα","","0.0831","0.0478","","","0.1088","0.1253","","","","","","1.032","","","","has coordinates","244092","2020-10-21","18:00:00",""
"7238227","11.6196","0.0007","6.3329","0.0004","15.4169","0.001","90","","92.831","0.005","90","","1133.08","0.12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H16 N2 O4 -","- C11 H16 N2 O4 -","- C44 H64 N8 O16 -","4","1","","Graus, Sara; Casabona, Diego; Uriel, Santiago; Cativiela, Carlos; Serrano, José Luis","Supramolecular arrangements based on cyclohexane-5-spirohydantoin derivatives","CrystEngComm","2010","12","10","3132","","10.1039/c001232g","","","0.7107","MoKα","","0.0753","0.0524","","","0.0741","0.0792","","","","","","1.14","","","","has coordinates","244092","2020-10-21","18:00:00",""
"7238228","6.169","0.002","6.177","0.002","17.569","0.009","84.46","0.04","86.65","0.04","66.44","0.02","610.7","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H20 N2 O2 -","- C12 H20 N2 O2 -","- C24 H40 N4 O4 -","2","1","","Graus, Sara; Casabona, Diego; Uriel, Santiago; Cativiela, Carlos; Serrano, José Luis","Supramolecular arrangements based on cyclohexane-5-spirohydantoin derivatives","CrystEngComm","2010","12","10","3132","","10.1039/c001232g","","","0.7107","MoKα","","0.148","0.0773","","","0.2293","0.2554","","","","","","1.007","","","","has coordinates","244092","2020-10-21","18:00:00",""
"7238229","10.41","0.003","6.865","0.002","14.194","0.003","90","","105.17","0.01","90","","979","0.5","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C9 H12 N2 O4 -","- C9 H12 N2 O4 -","- C36 H48 N8 O16 -","4","0.5","","Graus, Sara; Casabona, Diego; Uriel, Santiago; Cativiela, Carlos; Serrano, José Luis","Supramolecular arrangements based on cyclohexane-5-spirohydantoin derivatives","CrystEngComm","2010","12","10","3132","","10.1039/c001232g","","","0.71073","MoKα","","0.1226","0.0526","","","0.0994","0.133","","","","","","1.032","","","","has coordinates","244092","2020-10-21","18:00:00",""
"7238230","6.0029","0.0001","9.4374","0.0001","10.4741","0.0001","98.225","0.001","94.759","0.001","107.841","0.001","553.945","0.013","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H7 Eu O9 S -","- C8 H7 Eu O9 S -","- C16 H14 Eu2 O18 S2 -","2","1","","Xiao, Shan-Shan; Zheng, Xiang-Jun; Yan, Shao-Hua; Deng, Xue-Bin; Jin, Lin-Pei","Architecture of europium complexes with sulfobenzenedicarboxylates","CrystEngComm","2010","12","10","3145","","10.1039/c001590c","","","0.71073","MoKα","","0.0259","0.0237","","","0.0579","0.0591","","","","","","1.046","","","","has coordinates","244093","2020-10-21","18:00:00",""
"7238231","6.9605","0.0001","17.6633","0.0002","15.9655","0.0002","90","","90.585","0.001","90","","1962.78","0.04","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H13 Eu N2 O8 S -","- C20 H13 Eu N2 O8 S -","- C80 H52 Eu4 N8 O32 S4 -","4","1","","Xiao, Shan-Shan; Zheng, Xiang-Jun; Yan, Shao-Hua; Deng, Xue-Bin; Jin, Lin-Pei","Architecture of europium complexes with sulfobenzenedicarboxylates","CrystEngComm","2010","12","10","3145","","10.1039/c001590c","","","0.71073","MoKα","","0.0335","0.025","","","0.0545","0.0578","","","","","","1.019","","","","has coordinates","244093","2020-10-21","18:00:00",""
"7238232","10.2533","0.0008","16.2583","0.0013","12.0825","0.0014","90","","96.909","0.002","90","","1999.5","0.3","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C20 H15 Eu N2 O9 S -","- C20 H15 Eu N2 O9 S -","- C80 H60 Eu4 N8 O36 S4 -","4","1","","Xiao, Shan-Shan; Zheng, Xiang-Jun; Yan, Shao-Hua; Deng, Xue-Bin; Jin, Lin-Pei","Architecture of europium complexes with sulfobenzenedicarboxylates","CrystEngComm","2010","12","10","3145","","10.1039/c001590c","","","0.71073","MoKα","","0.0401","0.0366","","","0.0869","0.0894","","","","","","1.059","","","","has coordinates","244093","2020-10-21","18:00:00",""
"7238233","9.2909","0.0003","14.594","0.0003","13.9707","0.0003","90","","95.141","0.001","90","","1886.69","0.08","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H13 Eu N2 O8 S -","- C20 H13 Eu N2 O8 S -","- C80 H52 Eu4 N8 O32 S4 -","4","1","","Xiao, Shan-Shan; Zheng, Xiang-Jun; Yan, Shao-Hua; Deng, Xue-Bin; Jin, Lin-Pei","Architecture of europium complexes with sulfobenzenedicarboxylates","CrystEngComm","2010","12","10","3145","","10.1039/c001590c","","","0.71073","MoKα","","0.0224","0.0207","","","0.0545","0.0555","","","","","","1.033","","","","has coordinates","244093","2020-10-21","18:00:00",""
"7238234","8.5891","0.0012","10.7816","0.0015","18.136","0.002","90","","100.141","0.002","90","","1653.2","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H19 O14 Sm -","- C10 H19 O14 Sm -","- C40 H76 O56 Sm4 -","4","1","","Li, Jing; Ji, Chang-Chun; Lu, Zhen-Zhong; Wang, Tian-Wei; Song, You; Li, Yi-Zhi; Zheng, He-Gen; Guo, Zijian; Batten, Stuart R.","Organic‒inorganic hybrid coordination polymers based on the 5-oxyacetate isophthalic acid (H3OABDC) ligand: syntheses, structures, magnetic and luminescent properties","CrystEngComm","2010","12","12","4424","","10.1039/c002090g","","","0.71073","MoKα","","0.0515","0.0408","","","0.0764","0.0795","","","","","","1.013","","","","has coordinates","244094","2020-10-21","18:00:00",""
"7238235","8.5764","0.0008","10.7704","0.0011","18.0954","0.0017","90","","100.167","0.002","90","","1645.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H19 Eu O14 -","- C10 H19 Eu O14 -","- C40 H76 Eu4 O56 -","4","1","","Li, Jing; Ji, Chang-Chun; Lu, Zhen-Zhong; Wang, Tian-Wei; Song, You; Li, Yi-Zhi; Zheng, He-Gen; Guo, Zijian; Batten, Stuart R.","Organic‒inorganic hybrid coordination polymers based on the 5-oxyacetate isophthalic acid (H3OABDC) ligand: syntheses, structures, magnetic and luminescent properties","CrystEngComm","2010","12","12","4424","","10.1039/c002090g","","","0.71073","MoKα","","0.0436","0.0395","","","0.102","0.1051","","","","","","1.014","","","","has coordinates","244094","2020-10-21","18:00:00",""
"7238236","8.5537","0.0009","10.7371","0.0011","18.0139","0.0018","90","","100.193","0.002","90","","1628.3","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H19 Dy O14 -","- C10 H19 Dy O14 -","- C40 H76 Dy4 O56 -","4","1","","Li, Jing; Ji, Chang-Chun; Lu, Zhen-Zhong; Wang, Tian-Wei; Song, You; Li, Yi-Zhi; Zheng, He-Gen; Guo, Zijian; Batten, Stuart R.","Organic‒inorganic hybrid coordination polymers based on the 5-oxyacetate isophthalic acid (H3OABDC) ligand: syntheses, structures, magnetic and luminescent properties","CrystEngComm","2010","12","12","4424","","10.1039/c002090g","","","0.71073","MoKα","","0.0341","0.0296","","","0.0726","0.0737","","","","","","1.015","","","","has coordinates","244094","2020-10-21","18:00:00",""
"7238237","12.4166","0.0016","19.045","0.003","13.6377","0.0018","90","","111.917","0.002","90","","2991.9","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 Ni4 O24 -","- C20 H28 Ni4 O24 -","- C80 H112 Ni16 O96 -","4","1","","Li, Jing; Ji, Chang-Chun; Lu, Zhen-Zhong; Wang, Tian-Wei; Song, You; Li, Yi-Zhi; Zheng, He-Gen; Guo, Zijian; Batten, Stuart R.","Organic‒inorganic hybrid coordination polymers based on the 5-oxyacetate isophthalic acid (H3OABDC) ligand: syntheses, structures, magnetic and luminescent properties","CrystEngComm","2010","12","12","4424","","10.1039/c002090g","","","0.71073","MoKα","","0.0643","0.0491","","","0.1231","0.1306","","","","","","1.013","","","","has coordinates","244094","2020-10-21","18:00:00",""
"7238238","8.318","0.002","10.011","0.002","10.856","0.003","62.661","0.004","72.166","0.005","75.526","0.005","758","0.3","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H10 Cu2 N O8 -","- C15 H10 Cu2 N O8 -","- C30 H20 Cu4 N2 O16 -","2","1","","Li, Jing; Ji, Chang-Chun; Lu, Zhen-Zhong; Wang, Tian-Wei; Song, You; Li, Yi-Zhi; Zheng, He-Gen; Guo, Zijian; Batten, Stuart R.","Organic‒inorganic hybrid coordination polymers based on the 5-oxyacetate isophthalic acid (H3OABDC) ligand: syntheses, structures, magnetic and luminescent properties","CrystEngComm","2010","12","12","4424","","10.1039/c002090g","","","0.71073","MoKα","","0.086","0.061","","","0.1279","0.1329","","","","","","1.044","","","","has coordinates","244094","2020-10-21","18:00:00",""
"7238239","6.581","0.005","7.653","0.005","12.83","0.01","83.21","0.02","78.45","0.04","84.25","0.03","626.7","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H9 Al N2 O5 -","- C14 H8 Al N2 O5 -","- C28 H16 Al2 N4 O10 -","2","1","","Volkringer, Christophe; Loiseau, Thierry; Devic, Thomas; Férey, Gérard; Popov, Dmitry; Burghammer, M.; Riekel, C.","A layered coordination polymer based on an azodibenzoate linker connected to aluminium (MIL-129)","CrystEngComm","2010","12","10","3225","","10.1039/c002214d","","","0.9613","synchrotron","","0.0845","0.0709","","","0.1784","0.1891","","","","","","1.087","","","","has coordinates","244095","2020-10-21","18:00:00",""
"7238240","13.197","0.006","9.59","0.004","14.161","0.006","90","","98.895","0.007","90","","1770.7","1.3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H20 Cd2 N4 O12 -","- C10 H20 Cd2 N4 O12 -","- C40 H80 Cd8 N16 O48 -","4","0.5","","Li, Guoliang; Lü, Jian; Li, Xinfa; Yang, Hongxun; Xu, Bo; Cao, Rong","Coordination polymers of 1,4-piperazinedipropionic acid: domination by flexibility, coordination, and/or configuration?","CrystEngComm","2010","12","11","3780","","10.1039/c002264k","","","0.71073","MoKα","","0.0683","0.0513","","","0.1371","0.1665","","","","","","1.083","","","","has coordinates","244096","2020-10-21","18:00:00",""
"7238241","7.705","0.007","13.169","0.01","6.581","0.006","90","","108.864","0.012","90","","631.9","0.9","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H18 N2 O6 Zn2 -","- C10 H18 N2 O6 Zn2 -","- C20 H36 N4 O12 Zn4 -","2","0.5","","Li, Guoliang; Lü, Jian; Li, Xinfa; Yang, Hongxun; Xu, Bo; Cao, Rong","Coordination polymers of 1,4-piperazinedipropionic acid: domination by flexibility, coordination, and/or configuration?","CrystEngComm","2010","12","11","3780","","10.1039/c002264k","","","0.71073","MoKα","","0.0481","0.0317","","","0.0779","0.1092","","","","","","1.081","","","","has coordinates","244096","2020-10-21","18:00:00",""
"7238242","9.955","0.008","7.032","0.005","10.184","0.008","90","","98.489","0.011","90","","705.1","0.9","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H22 Cu N2 O7 -","- C10 H22 Cu N2 O7 -","- C20 H44 Cu2 N4 O14 -","2","1","","Li, Guoliang; Lü, Jian; Li, Xinfa; Yang, Hongxun; Xu, Bo; Cao, Rong","Coordination polymers of 1,4-piperazinedipropionic acid: domination by flexibility, coordination, and/or configuration?","CrystEngComm","2010","12","11","3780","","10.1039/c002264k","","","0.71073","MoKα","","0.0365","0.0339","","","0.0659","0.0672","","","","","","1.021","","","","has coordinates","244096","2020-10-21","18:00:00",""
"7238243","22.0528","0.0018","6.3612","0.0005","24.693","0.002","90","","90","","90","","3464","0.5","115","2","115","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C21 H20 O4 -","- C21 H20 O4 -","- C168 H160 O32 -","8","1","","Iwase, Noriaki; Kinuta, Takafumi; Tajima, Nobuo; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Molecular recognition of bisphenol A and its derivatives using p-benzoquinone","CrystEngComm","2010","12","10","3195","","10.1039/c002812f","","","0.71073","MoKα","","0.0571","0.0464","","","0.1122","0.1184","","","","","","1.053","","","","has coordinates","244097","2020-10-21","18:00:00",""
"7238244","6.6512","0.0005","23.512","0.0017","12.0859","0.0009","90","","95.602","0.001","90","","1881","0.2","115","2","115","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H14 F6 O4 -","- C21 H14 F6 O4 -","- C84 H56 F24 O16 -","4","1","","Iwase, Noriaki; Kinuta, Takafumi; Tajima, Nobuo; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Molecular recognition of bisphenol A and its derivatives using p-benzoquinone","CrystEngComm","2010","12","10","3195","","10.1039/c002812f","","","0.71073","MoKα","","0.0542","0.0409","","","0.0954","0.1016","","","","","","1.039","","","","has coordinates","244097","2020-10-21","18:00:00",""
"7238245","22.4272","0.0017","6.1401","0.0005","11.1047","0.0009","90","","103.384","0.001","90","","1487.6","0.2","115","2","115","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 O4 -","- C19 H16 O4 -","- C76 H64 O16 -","4","1","","Iwase, Noriaki; Kinuta, Takafumi; Tajima, Nobuo; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Molecular recognition of bisphenol A and its derivatives using p-benzoquinone","CrystEngComm","2010","12","10","3195","","10.1039/c002812f","","","0.71073","MoKα","","0.0563","0.0451","","","0.1069","0.1129","","","","","","1.046","","","","has coordinates","244097","2020-10-21","18:00:00",""
"7238246","10.2936","0.0006","13.0927","0.0008","24.4245","0.0015","90","","96.836","0.003","90","","3268.3","0.3","113","2","113","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C43 H34 O5 -","- C43 H34 O5 -","- C172 H136 O20 -","4","1","","Zhang, Chun; Chen, Chuan-Feng","Synthesis and analysis of hydroxyl substituted triptycene adducts: the competitive recognition between the hydroxyl substituted triptycenes with 4, 4′-bipyridine and solvent molecules","CrystEngComm","2010","12","10","3255","","10.1039/c002943b","","","0.7107","MoKα","","0.1008","0.0777","","","0.1686","0.1806","","","","","","1.172","","","","has coordinates","244098","2020-10-21","18:00:00",""
"7238247","22.069","0.007","8.189","0.003","28.795","0.009","90","","109.128","0.005","90","","4917","3","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C58 H46 N3 O5 -","- C58 H46 N3 O5 -","- C232 H184 N12 O20 -","4","1","","Zhang, Chun; Chen, Chuan-Feng","Synthesis and analysis of hydroxyl substituted triptycene adducts: the competitive recognition between the hydroxyl substituted triptycenes with 4, 4′-bipyridine and solvent molecules","CrystEngComm","2010","12","10","3255","","10.1039/c002943b","","","0.71073","MoKα","","0.1178","0.0672","","","0.1726","0.2138","","","","","","1.038","","","","has coordinates","244098","2020-10-21","18:00:00",""
"7238248","10.7093","0.0007","8.1477","0.0004","12.8858","0.0008","90","","102.935","0.003","90","","1095.83","0.11","113","2","113","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H26 O5 -","- C26 H26 O5 -","- C52 H52 O10 -","2","1","","Zhang, Chun; Chen, Chuan-Feng","Synthesis and analysis of hydroxyl substituted triptycene adducts: the competitive recognition between the hydroxyl substituted triptycenes with 4, 4′-bipyridine and solvent molecules","CrystEngComm","2010","12","10","3255","","10.1039/c002943b","","","0.7107","MoKα","","0.045","0.038","","","0.083","0.0864","","","","","","0.999","","","","has coordinates","244098","2020-10-21","18:00:00",""
"7238249","21.878","0.011","8.005","0.004","29.006","0.014","90","","92.085","0.008","90","","5077","4","294","2","294","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C31.5 H25 N2 O3.5 -","- C31.5 H25 N2 O3.5 -","- C252 H200 N16 O28 -","8","1","","Zhang, Chun; Chen, Chuan-Feng","Synthesis and analysis of hydroxyl substituted triptycene adducts: the competitive recognition between the hydroxyl substituted triptycenes with 4, 4′-bipyridine and solvent molecules","CrystEngComm","2010","12","10","3255","","10.1039/c002943b","","","0.71073","MoKα","","0.0953","0.051","","","0.1453","0.183","","","","","","1.058","","","","has coordinates","244098","2020-10-21","18:00:00",""
"7238250","12.7629","0.0017","15.811","0.002","16.351","0.002","90","","97.546","0.002","90","","3271","0.7","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H30 N4 O3 -","- C40 H30 N4 O3 -","- C160 H120 N16 O12 -","4","1","","Zhang, Chun; Chen, Chuan-Feng","Synthesis and analysis of hydroxyl substituted triptycene adducts: the competitive recognition between the hydroxyl substituted triptycenes with 4, 4′-bipyridine and solvent molecules","CrystEngComm","2010","12","10","3255","","10.1039/c002943b","","","0.71073","MoKα","","0.1266","0.0485","","","0.1167","0.1554","","","","","","0.981","","","","has coordinates","244098","2020-10-21","18:00:00",""
"7238251","33.225","0.004","9.851","0.001","17.7341","0.0019","90","","99.335","0.002","90","","5727.5","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(Me2NH2)2(Co3(1,4-bdc)4)4DMF","","","- C48 H60 Co3 N6 O20 -","- C48 H60 Co3 N6 O20 -","- C192 H240 Co12 N24 O80 -","4","0.5","","Wang, Xiao-Feng; Zhang, Yue-Biao; Xue, Wei; Qi, Xiao-Lin; Chen, Xiao-Ming","Two temperature-induced isomers of metal-carboxylate frameworks based on different linear trinuclear Co3(RCOO)8 clusters exhibiting different magnetic behaviours","CrystEngComm","2010","12","11","3834","","10.1039/c003032e","","","0.71073","MoKα","","0.1106","0.095","","","0.2537","0.2685","","","","","","1.033","","","","has coordinates,has disorder","244099","2020-10-21","18:00:00",""
"7238252","33.232","0.004","9.767","0.0012","18.311","0.002","90","","92.609","0.002","90","","5937.2","1.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(Me2NH2)2(Co3(1,4-bdc)4)4DMF","","","- C48 H60 Co3 N6 O20 -","- C48 H60 Co3 N6 O20 -","- C192 H240 Co12 N24 O80 -","4","0.5","","Wang, Xiao-Feng; Zhang, Yue-Biao; Xue, Wei; Qi, Xiao-Lin; Chen, Xiao-Ming","Two temperature-induced isomers of metal-carboxylate frameworks based on different linear trinuclear Co3(RCOO)8 clusters exhibiting different magnetic behaviours","CrystEngComm","2010","12","11","3834","","10.1039/c003032e","","","0.71073","MoKα","","0.1158","0.0739","","","0.1986","0.2298","","","","","","1.049","","","","has coordinates,has disorder","244099","2020-10-21","18:00:00",""
"7238253","10.234","0.006","12.233","0.008","19.624","0.012","75.101","0.01","86.624","0.01","68.199","0.01","2203","2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H50 Cl2 N6 O10 Ru -","- C42 H38 Cl2 N6 O10 Ru -","- C84 H76 Cl4 N12 O20 Ru2 -","2","1","","McMurtrie, John; Dance, Ian","Alternative two-dimensional embrace nets formed by metal complexes of 4′-phenylterpyridine crystallised with hydrophilic anions","CrystEngComm","2010","12","10","3207","","10.1039/c003035j","","","0.71073","MoKα","","0.0953","0.0803","","","0.214","0.2268","","","","","","1.082","","","","has coordinates","244100","2020-10-21","18:00:00",""
"7238254","14.987","0.002","17.376","0.002","20.581","0.003","85.807","0.002","69.379","0.002","71.147","0.002","4742.1","1.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H48 Cl2 N6 O5 Ru -","- C46 H42 Cl2 N6 O5 Ru -","- C184 H168 Cl8 N24 O20 Ru4 -","4","2","","McMurtrie, John; Dance, Ian","Alternative two-dimensional embrace nets formed by metal complexes of 4′-phenylterpyridine crystallised with hydrophilic anions","CrystEngComm","2010","12","10","3207","","10.1039/c003035j","","","0.71073","MoKα","","0.1108","0.0593","","","0.1478","0.179","","","","","","1.08","","","","has coordinates,has disorder","244100","2020-10-21","18:00:00",""
"7238255","10.8745","0.0017","22.564","0.004","19.08","0.003","90","","104.691","0.003","90","","4528.6","1.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H50 Fe N6 O12 S -","- C44 H48.5 Fe N6 O12 S -","- C176 H194 Fe4 N24 O48 S4 -","4","1","","McMurtrie, John; Dance, Ian","Alternative two-dimensional embrace nets formed by metal complexes of 4′-phenylterpyridine crystallised with hydrophilic anions","CrystEngComm","2010","12","10","3207","","10.1039/c003035j","","","0.71073","MoKα","","0.1133","0.0668","","","0.1573","0.1844","","","","","","1.05","","","","has coordinates,has disorder","244100","2020-10-21","18:00:00",""
"7238256","10.2954","0.0011","29.813","0.003","20.198","0.002","90","","100.254","0.002","90","","6100.5","1.1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H66 N8 Ni O23 Ru -","- C56 H58 N8 Ni O23 Ru -","- C224 H232 N32 Ni4 O92 Ru4 -","4","1","","McMurtrie, John; Dance, Ian","Alternative two-dimensional embrace nets formed by metal complexes of 4′-phenylterpyridine crystallised with hydrophilic anions","CrystEngComm","2010","12","10","3207","","10.1039/c003035j","","","0.71073","MoKα","","0.0724","0.0425","","","0.0848","0.0968","","","","","","1.023","","","","has coordinates,has disorder","244100","2020-10-21","18:00:00",""
"7238257","9.1806","0.0008","15.0165","0.0014","19.4587","0.0018","83.288","0.002","80.129","0.002","74.624","0.002","2541.1","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H52 N6 O10 Ru S2 -","- C56 H50 N6 O10 Ru S2 -","- C112 H100 N12 O20 Ru2 S4 -","2","1","","McMurtrie, John; Dance, Ian","Alternative two-dimensional embrace nets formed by metal complexes of 4′-phenylterpyridine crystallised with hydrophilic anions","CrystEngComm","2010","12","10","3207","","10.1039/c003035j","","","0.71073","MoKα","","0.0445","0.0351","","","0.0759","0.0803","","","","","","1.048","","","","has coordinates","244100","2020-10-21","18:00:00",""
"7238258","10.7037","0.0015","10.7037","0.0015","15.839","0.003","90","","90","","90","","1814.7","0.5","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C16 H12 Cd N10 O2 -","- C16 H12 Cd N10 O2 -","- C64 H48 Cd4 N40 O8 -","4","0.5","","Wang, Y.-B.; Liu, D.-S.; Pan, T.-H.; Liang, Q.; Huang, X.-H.; Wu, S.-T.; Huang, C.-C.","Structural variation from 1D to 3D: effect of metal centers on the construction of metal‒organic coordination polymers with N-(1H-tetrazol-5-yl)benzamide ligand","CrystEngComm","2010","12","11","3886","","10.1039/c003502e","","","0.71073","MoKα","","0.0296","0.0292","","","0.0552","0.0553","","","","","","1.23","","","","has coordinates","244101","2020-10-21","18:00:00",""
"7238259","7.3812","0.0015","9.886","0.002","12.798","0.003","90","","106.76","0.03","90","","894.2","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 Ag N5 O -","- C8 H6 Ag N5 O -","- C32 H24 Ag4 N20 O4 -","4","1","","Wang, Y.-B.; Liu, D.-S.; Pan, T.-H.; Liang, Q.; Huang, X.-H.; Wu, S.-T.; Huang, C.-C.","Structural variation from 1D to 3D: effect of metal centers on the construction of metal‒organic coordination polymers with N-(1H-tetrazol-5-yl)benzamide ligand","CrystEngComm","2010","12","11","3886","","10.1039/c003502e","","","0.71073","MoKα","","0.0669","0.0582","","","0.092","0.0952","","","","","","1.234","","","","has coordinates","244101","2020-10-21","18:00:00",""
"7238260","9.6804","0.0019","8.6933","0.0017","19.83","0.004","90","","90","","90","","1668.8","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H12 Mn N10 O2 -","- C16 H12 Mn N10 O2 -","- C64 H48 Mn4 N40 O8 -","4","0.5","","Wang, Y.-B.; Liu, D.-S.; Pan, T.-H.; Liang, Q.; Huang, X.-H.; Wu, S.-T.; Huang, C.-C.","Structural variation from 1D to 3D: effect of metal centers on the construction of metal‒organic coordination polymers with N-(1H-tetrazol-5-yl)benzamide ligand","CrystEngComm","2010","12","11","3886","","10.1039/c003502e","","","0.71073","MoKα","","0.0632","0.0611","","","0.1001","0.1009","","","","","","1.336","","","","has coordinates","244101","2020-10-21","18:00:00",""
"7238261","9.5801","0.0019","8.4014","0.0017","20.163","0.004","90","","90","","90","","1622.8","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H12 Cu N10 O2 -","- C16 H12 Cu N10 O2 -","- C64 H48 Cu4 N40 O8 -","4","0.5","","Wang, Y.-B.; Liu, D.-S.; Pan, T.-H.; Liang, Q.; Huang, X.-H.; Wu, S.-T.; Huang, C.-C.","Structural variation from 1D to 3D: effect of metal centers on the construction of metal‒organic coordination polymers with N-(1H-tetrazol-5-yl)benzamide ligand","CrystEngComm","2010","12","11","3886","","10.1039/c003502e","","","0.71073","MoKα","","0.0894","0.0873","","","0.1354","0.1361","","","","","","1.39","","","","has coordinates","244101","2020-10-21","18:00:00",""
"7238262","6.9973","0.0014","10.231","0.002","24.861","0.005","90","","93.06","0.03","90","","1777.2","0.6","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 N10 O2 Pb -","- C16 H12 N10 O2 Pb -","- C64 H48 N40 O8 Pb4 -","4","1","","Wang, Y.-B.; Liu, D.-S.; Pan, T.-H.; Liang, Q.; Huang, X.-H.; Wu, S.-T.; Huang, C.-C.","Structural variation from 1D to 3D: effect of metal centers on the construction of metal‒organic coordination polymers with N-(1H-tetrazol-5-yl)benzamide ligand","CrystEngComm","2010","12","11","3886","","10.1039/c003502e","","","0.71073","MoKα","","0.0453","0.0409","","","0.1002","0.1036","","","","","","1.052","","","","has coordinates","244101","2020-10-21","18:00:00",""
"7238263","7.3372","0.0006","10.6553","0.0008","10.6128","0.0008","90","","97.705","0.001","90","","822.22","0.11","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H11 N O7 P2 -","- C2 H11 N O7 P2 -","- C8 H44 N4 O28 P8 -","4","1","","Chen, Shuo-ping; Zhang, Yu-qin; Hu, Le; He, Hong-zhen; Yuan, Liang-jie","Hydrogen-bonded assembly of aminophosphonic anions: different 1D, 2D and 3D supramolecular architectures","CrystEngComm","2010","12","10","3327","","10.1039/c003756g","","","0.71073","MoKα","","0.0331","0.0309","","","0.0863","0.0885","","","","","","1.066","","","","has coordinates","244102","2020-10-21","18:00:00",""
"7238264","10.9976","0.0009","6.9889","0.0006","12.5997","0.001","90","","113.564","0.001","90","","887.67","0.13","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C3 H13 N O7 P2 -","- C3 H13 N O7 P2 -","- C12 H52 N4 O28 P8 -","4","1","","Chen, Shuo-ping; Zhang, Yu-qin; Hu, Le; He, Hong-zhen; Yuan, Liang-jie","Hydrogen-bonded assembly of aminophosphonic anions: different 1D, 2D and 3D supramolecular architectures","CrystEngComm","2010","12","10","3327","","10.1039/c003756g","","","0.71073","MoKα","","0.0322","0.0306","","","0.0869","0.0879","","","","","","1.074","","","","has coordinates","244102","2020-10-21","18:00:00",""
"7238265","5.6936","0.0007","8.1718","0.001","10.6221","0.0012","72.749","0.002","79.075","0.002","84.784","0.002","463.11","0.1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H15 N2 O6 P2 -","- C4 H15 N2 O6 P2 -","- C8 H30 N4 O12 P4 -","2","1","","Chen, Shuo-ping; Zhang, Yu-qin; Hu, Le; He, Hong-zhen; Yuan, Liang-jie","Hydrogen-bonded assembly of aminophosphonic anions: different 1D, 2D and 3D supramolecular architectures","CrystEngComm","2010","12","10","3327","","10.1039/c003756g","","","0.71073","MoKα","","0.0296","0.0285","","","0.0772","0.078","","","","","","1.076","","","","has coordinates","244102","2020-10-21","18:00:00",""
"7238266","23.557","0.0017","5.7463","0.0004","18.8938","0.0013","90","","121.96","0.001","90","","2169.9","0.3","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C5 H16 N2 O6 P2 -","- C5 H14 N2 O6 P2 -","- C40 H112 N16 O48 P16 -","8","1","","Chen, Shuo-ping; Zhang, Yu-qin; Hu, Le; He, Hong-zhen; Yuan, Liang-jie","Hydrogen-bonded assembly of aminophosphonic anions: different 1D, 2D and 3D supramolecular architectures","CrystEngComm","2010","12","10","3327","","10.1039/c003756g","","","0.71073","MoKα","","0.0333","0.0311","","","0.0916","0.0937","","","","","","1.091","","","","has coordinates,has disorder","244102","2020-10-21","18:00:00",""
"7238267","8.7719","0.0006","11.5346","0.0008","12.2848","0.0009","90","","90","","90","","1242.98","0.15","273","2","273","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C5 H21 N3 O7 P2 -","- C5 H21 N3 O7 P2 -","- C20 H84 N12 O28 P8 -","4","1","","Chen, Shuo-ping; Zhang, Yu-qin; Hu, Le; He, Hong-zhen; Yuan, Liang-jie","Hydrogen-bonded assembly of aminophosphonic anions: different 1D, 2D and 3D supramolecular architectures","CrystEngComm","2010","12","10","3327","","10.1039/c003756g","","","0.71073","MoKα","","0.0217","0.0212","","","0.0588","0.0592","","","","","","1.074","","","","has coordinates","244102","2020-10-21","18:00:00",""
"7238268","9.9533","0.0008","6.9947","0.0006","18.0126","0.0015","90","","103.36","0.001","90","","1220.11","0.18","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H21 N3 O7 P2 -","- C5 H21 N3 O7 P2 -","- C20 H84 N12 O28 P8 -","4","1","","Chen, Shuo-ping; Zhang, Yu-qin; Hu, Le; He, Hong-zhen; Yuan, Liang-jie","Hydrogen-bonded assembly of aminophosphonic anions: different 1D, 2D and 3D supramolecular architectures","CrystEngComm","2010","12","10","3327","","10.1039/c003756g","","","0.71073","MoKα","","0.0283","0.0265","","","0.0798","0.0809","","","","","","1.094","","","","has coordinates","244102","2020-10-21","18:00:00",""
"7238269","5.7306","0.0005","19.9861","0.0018","11.2688","0.001","90","","101.342","0.001","90","","1265.44","0.19","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H21 N3 O7 P2 -","- C6 H21 N3 O7 P2 -","- C24 H84 N12 O28 P8 -","4","1","","Chen, Shuo-ping; Zhang, Yu-qin; Hu, Le; He, Hong-zhen; Yuan, Liang-jie","Hydrogen-bonded assembly of aminophosphonic anions: different 1D, 2D and 3D supramolecular architectures","CrystEngComm","2010","12","10","3327","","10.1039/c003756g","","","0.71073","MoKα","","0.0288","0.0267","","","0.0786","0.08","","","","","","1.083","","","","has coordinates","244102","2020-10-21","18:00:00",""
"7238270","19.629","0.008","6.963","0.003","20.786","0.011","90","","117.99","0.005","90","","2509","2","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H20 N2 O9 P2 -","- C4 H20 N2 O9 P2 -","- C32 H160 N16 O72 P16 -","8","1","","Chen, Shuo-ping; Zhang, Yu-qin; Hu, Le; He, Hong-zhen; Yuan, Liang-jie","Hydrogen-bonded assembly of aminophosphonic anions: different 1D, 2D and 3D supramolecular architectures","CrystEngComm","2010","12","10","3327","","10.1039/c003756g","","","0.71073","MoKα","","0.0298","0.0274","","","0.0765","0.0784","","","","","","1.118","","","","has coordinates","244102","2020-10-21","18:00:00",""
"7238271","10.2183","0.0013","11.3812","0.0014","12.9323","0.0016","113.731","0.002","94.737","0.003","101.552","0.002","1326.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H28 Co2 N3 O12 -","- C25 H28 Co2 N3 O12 -","- C50 H56 Co4 N6 O24 -","2","1","","Ou, Yong-Cong; Liu, Wen-Ting; Leng, Ji-Dong; Lin, Zhuo-Jia; Tong, Ming-Liang","Coordination polymers of the conformation-flexible 1,2,4,5-cyclohexanetetracarboxylate: synthesis, structures and transforming mechanism studies","CrystEngComm","2010","12","11","3748","","10.1039/c003764h","","","0.71073","MoKα","","0.0755","0.0553","","","0.1175","0.1288","","","","","","1.028","","","","has coordinates","244103","2020-10-21","18:00:00",""
"7238272","25.741","0.013","11.376","0.005","19.605","0.009","90","","114.165","0.009","90","","5238","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H54 Co4 N6 O23 -","- C50 H54 Co4 N6 O23 -","- C200 H216 Co16 N24 O92 -","4","0.5","","Ou, Yong-Cong; Liu, Wen-Ting; Leng, Ji-Dong; Lin, Zhuo-Jia; Tong, Ming-Liang","Coordination polymers of the conformation-flexible 1,2,4,5-cyclohexanetetracarboxylate: synthesis, structures and transforming mechanism studies","CrystEngComm","2010","12","11","3748","","10.1039/c003764h","","","0.71073","MoKα","","0.1566","0.0575","","","0.0829","0.1113","","","","","","0.821","","","","has coordinates","244103","2020-10-21","18:00:00",""
"7238273","7.3292","0.0006","20.3154","0.0014","9.9169","0.0008","90","","99.256","0.008","90","","1457.4","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 Co2 N4 O10 -","- C30 H28 Co2 N4 O10 -","- C60 H56 Co4 N8 O20 -","2","0.5","","Ou, Yong-Cong; Liu, Wen-Ting; Leng, Ji-Dong; Lin, Zhuo-Jia; Tong, Ming-Liang","Coordination polymers of the conformation-flexible 1,2,4,5-cyclohexanetetracarboxylate: synthesis, structures and transforming mechanism studies","CrystEngComm","2010","12","11","3748","","10.1039/c003764h","","","1.54178","CuKα","","0.0691","0.0434","","","0.086","0.0907","","","","","","0.853","","","","has coordinates","244103","2020-10-21","18:00:00",""
"7238274","6.5613","0.0013","24.646","0.005","11.088","0.002","90","","99.26","0.03","90","","1769.7","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H36 Co2 N4 O14 -","- C34 H36 Co2 N4 O14 -","- C68 H72 Co4 N8 O28 -","2","0.5","","Ou, Yong-Cong; Liu, Wen-Ting; Leng, Ji-Dong; Lin, Zhuo-Jia; Tong, Ming-Liang","Coordination polymers of the conformation-flexible 1,2,4,5-cyclohexanetetracarboxylate: synthesis, structures and transforming mechanism studies","CrystEngComm","2010","12","11","3748","","10.1039/c003764h","","","0.71073","MoKα","","0.1324","0.0634","","","0.145","0.184","","","","","","1.043","","","","has coordinates","244103","2020-10-21","18:00:00",""
"7238276","14.3232","0.0009","16.4424","0.0011","13.4342","0.0008","90","","101.32","0.003","90","","3102.3","0.3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N,N,N',N'-tetraacetyl-a,a'-diamino-m-xylene","","- C16 H20 N2 O4 -","- C16 H20 N2 O4 -","- C128 H160 N16 O32 -","8","1","","Aakeröy, Christer B.; Desper, John; Haque, Naheed; Hussain, Izhar","Effective double-ended chelating agents: crystal structures of N,N,N′,N′-tetraacetyl diamino derivatives and their chelates","CrystEngComm","2010","12","10","3218","","10.1039/c004168h","","","0.71073","MoKα","","0.0605","0.0427","","","0.1095","0.1182","","","","","","0.998","","","","has coordinates","244105","2020-10-21","18:00:00",""
"7238277","12.5627","0.0005","13.5463","0.0004","9.3888","0.0003","90","","95.444","0.002","90","","1590.56","0.09","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N,N,N',N'-tetraacetyl-alpha,alpha'-diamino-p-xylene","","- C16 H20 N2 O4 -","- C16 H20 N2 O4 -","- C64 H80 N8 O16 -","4","0.5","","Aakeröy, Christer B.; Desper, John; Haque, Naheed; Hussain, Izhar","Effective double-ended chelating agents: crystal structures of N,N,N′,N′-tetraacetyl diamino derivatives and their chelates","CrystEngComm","2010","12","10","3218","","10.1039/c004168h","","","0.71073","MoKα","","0.0529","0.0461","","","0.1151","0.119","","","","","","1.126","","","","has coordinates","244105","2020-10-21","18:00:00",""
"7238278","9.5245","0.0006","10.33","0.0007","8.7471","0.0006","90","","106.108","0.004","90","","826.82","0.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","NAP-12 tetraacetyl 1,5-naphthalenediamine","","- C18 H18 N2 O4 -","- C18 H18 N2 O4 -","- C36 H36 N4 O8 -","2","0.5","","Aakeröy, Christer B.; Desper, John; Haque, Naheed; Hussain, Izhar","Effective double-ended chelating agents: crystal structures of N,N,N′,N′-tetraacetyl diamino derivatives and their chelates","CrystEngComm","2010","12","10","3218","","10.1039/c004168h","","","0.71073","MoKα","","0.0742","0.0497","","","0.1508","0.1694","","","","","","1.045","","","","has coordinates","244105","2020-10-21","18:00:00",""
"7238279","12.3457","0.0013","5.8212","0.0006","10.0737","0.001","90","","107.176","0.007","90","","691.68","0.13","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N,N',N'-tetraacetyl 1,4-cyclohexanediamine","","- C14 H22 N2 O4 -","- C14 H22 N2 O4 -","- C28 H44 N4 O8 -","2","0.5","","Aakeröy, Christer B.; Desper, John; Haque, Naheed; Hussain, Izhar","Effective double-ended chelating agents: crystal structures of N,N,N′,N′-tetraacetyl diamino derivatives and their chelates","CrystEngComm","2010","12","10","3218","","10.1039/c004168h","","","0.71073","MoKα","","0.0751","0.068","","","0.1739","0.183","","","","","","1.331","","","","has coordinates","244105","2020-10-21","18:00:00",""
"7238280","5.915","0.0004","10.1956","0.0007","9.1495","0.0007","90","","96.388","0.005","90","","548.35","0.07","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N,N',N'-tetraacetyl ethylenediamine","","- C10 H16 N2 O4 -","- C10 H16 N2 O4 -","- C20 H32 N4 O8 -","2","0.5","","Aakeröy, Christer B.; Desper, John; Haque, Naheed; Hussain, Izhar","Effective double-ended chelating agents: crystal structures of N,N,N′,N′-tetraacetyl diamino derivatives and their chelates","CrystEngComm","2010","12","10","3218","","10.1039/c004168h","","","0.71073","MoKα","","0.0652","0.061","","","0.1556","0.1608","","","","","","1.104","","","","has coordinates,has disorder","244105","2020-10-21","18:00:00",""
"7238281","7.3645","0.0004","12.3273","0.0007","11.7535","0.0006","90","","100.6","0.003","90","","1048.83","0.1","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","N,N,N',N'-tetraacetyl 1,4-diaminobutane Cu(OH2)2 (ClO4)2 (H2O)2","","- C12 H24 Cl2 Cu N2 O14 -","- C12 H24 Cl2 Cu N2 O14 -","- C24 H48 Cl4 Cu2 N4 O28 -","2","0.5","","Aakeröy, Christer B.; Desper, John; Haque, Naheed; Hussain, Izhar","Effective double-ended chelating agents: crystal structures of N,N,N′,N′-tetraacetyl diamino derivatives and their chelates","CrystEngComm","2010","12","10","3218","","10.1039/c004168h","","","0.71073","MoKα","","0.0559","0.0459","","","0.1106","0.1203","","","","","","1.051","","","","has coordinates","244105","2020-10-21","18:00:00",""
"7238282","14.7246","0.0015","11.3474","0.0011","7.8352","0.0008","90","","90.917","0.005","90","","1309","0.2","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","tetraacetyl 1,4-butanediamine","","- C12 H20 N2 O4 -","- C12 H20 N2 O4 -","- C48 H80 N8 O16 -","4","0.5","","Aakeröy, Christer B.; Desper, John; Haque, Naheed; Hussain, Izhar","Effective double-ended chelating agents: crystal structures of N,N,N′,N′-tetraacetyl diamino derivatives and their chelates","CrystEngComm","2010","12","10","3218","","10.1039/c004168h","","","0.71073","MoKα","","0.0801","0.0635","","","0.1625","0.1776","","","","","","1.103","","","","has coordinates","244105","2020-10-21","18:00:00",""
"7238283","20.0183","0.0005","4.543","0.0001","20.597","0.0005","90","","110.986","0.001","90","","1748.91","0.07","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N,N,N',N'-tetraacetyl-1,8-diaminooctane","","- C16 H28 N2 O4 -","- C16 H28 N2 O4 -","- C64 H112 N8 O16 -","4","1","","Aakeröy, Christer B.; Desper, John; Haque, Naheed; Hussain, Izhar","Effective double-ended chelating agents: crystal structures of N,N,N′,N′-tetraacetyl diamino derivatives and their chelates","CrystEngComm","2010","12","10","3218","","10.1039/c004168h","","","0.71073","MoKα","","0.0501","0.0424","","","0.1351","0.1408","","","","","","1.14","","","","has coordinates","244105","2020-10-21","18:00:00",""
"7238284","20.223","0.003","7.9438","0.0012","14.875","0.002","90","","97.797","0.009","90","","2367.5","0.6","173","2","173","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","Zn(OH2)2 (Ac2N-(CH2)6-NAc2)","","- C14 H28 Cl2 N2 O14 Zn -","- C14 H28 Cl2 N2 O14 Zn -","- C56 H112 Cl8 N8 O56 Zn4 -","4","1","","Aakeröy, Christer B.; Desper, John; Haque, Naheed; Hussain, Izhar","Effective double-ended chelating agents: crystal structures of N,N,N′,N′-tetraacetyl diamino derivatives and their chelates","CrystEngComm","2010","12","10","3218","","10.1039/c004168h","","","0.71073","MoKα","","0.1386","0.0714","","","0.1623","0.1895","","","","","","0.874","","","","has coordinates,has disorder","244105","2020-10-21","18:00:00",""
"7238285","11.2192","0.0006","11.2192","","32.2233","0.0018","90","","90","","120","","3512.6","0.3","100","2","100","2","","","","","","","synthesis as described","4","P 31","P 31","144","","","","- C57 H40 O4 S6 -","- C57 H40 O4 S6 -","- C171 H120 O12 S18 -","3","1","","Saad, Ali; Jeannin, Olivier; Fourmigué, Marc","Helical organization of chiral binaphthyl tetrathiafulvalene primary amides through hydrogen bonding interactions","CrystEngComm","2010","12","11","3866","","10.1039/c004320f","","x-ray","0.71073","MoKα","","0.0356","0.0349","","","0.0779","0.082","","","","","","1.161","","","","has coordinates","244106","2020-10-21","18:00:00",""
"7238286","11.2067","0.0006","11.207","","32.115","0.002","90","","90","","120","","3493.1","0.3","293","2","293","2","","","","","","","","4","P 32","P 32","145","Dithiolone-thione (R)-3","","","- C57 H40 O4 S6 -","- C57 H40 O4 S6 -","- C171 H120 O12 S18 -","3","1","","Saad, Ali; Jeannin, Olivier; Fourmigué, Marc","Helical organization of chiral binaphthyl tetrathiafulvalene primary amides through hydrogen bonding interactions","CrystEngComm","2010","12","11","3866","","10.1039/c004320f","","","0.71073","MoKα","","0.0947","0.0864","","","0.2189","0.2246","","","","","","1.123","","","","has coordinates","244106","2020-10-21","18:00:00",""
"7238287","11.181","0.002","8.5699","0.0017","41.84","0.008","90","","90","","90","","4009.1","1.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H16 O3 S2 -","- C25 H16 O3 S2 -","- C200 H128 O24 S16 -","8","1","","Saad, Ali; Jeannin, Olivier; Fourmigué, Marc","Helical organization of chiral binaphthyl tetrathiafulvalene primary amides through hydrogen bonding interactions","CrystEngComm","2010","12","11","3866","","10.1039/c004320f","","","0.71073","MoKα","","0.1127","0.0418","","","0.1082","0.1612","","","","","","1.014","","","","has coordinates","244106","2020-10-21","18:00:00",""
"7238288","7.828","0.0018","11.193","0.003","17.395","0.004","72.117","0.012","88.424","0.013","71.483","0.013","1371.3","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Binapth-TTF(CO2Me)2","","","- C32 H22 O6 S4 -","- C32 H22 O6 S4 -","- C64 H44 O12 S8 -","2","1","","Saad, Ali; Jeannin, Olivier; Fourmigué, Marc","Helical organization of chiral binaphthyl tetrathiafulvalene primary amides through hydrogen bonding interactions","CrystEngComm","2010","12","11","3866","","10.1039/c004320f","","","0.71073","MoKα","","0.0462","0.0352","","","0.0895","0.0972","","","","","","1.022","","","","has coordinates","244106","2020-10-21","18:00:00",""
"7238289","7.895","0.006","37.71","0.02","10.367","0.004","90","","103.31","0.04","90","","3004","3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C64 H48 N4 O9 S8 -","- C64 H48 N4 O9 S8 -","- C128 H96 N8 O18 S16 -","2","1","","Saad, Ali; Jeannin, Olivier; Fourmigué, Marc","Helical organization of chiral binaphthyl tetrathiafulvalene primary amides through hydrogen bonding interactions","CrystEngComm","2010","12","11","3866","","10.1039/c004320f","","","0.71073","MoKα","","0.2219","0.0741","","","0.0753","0.0999","","","","","","1.004","","","","has coordinates","244106","2020-10-21","18:00:00",""
"7238290","11.444","0.005","8.203","0.005","19.741","0.005","90","0.005","106.302","0.005","90","0.005","1778.7","1.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H36 N2 O6 S4 -","- C38 H36 N2 O6 S4 -","- C76 H72 N4 O12 S8 -","2","1","","Saad, Ali; Jeannin, Olivier; Fourmigué, Marc","Helical organization of chiral binaphthyl tetrathiafulvalene primary amides through hydrogen bonding interactions","CrystEngComm","2010","12","11","3866","","10.1039/c004320f","","","0.71073","MoKα","","0.1622","0.0697","","","0.1239","0.1577","","","","","","0.969","","","","has coordinates","244106","2020-10-21","18:00:00",""
"7238291","8.4779","0.0009","11.7236","0.0018","20.177","0.003","90","","91.735","0.008","90","","2004.5","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H16 O3 S2 -","- C25 H16 O3 S2 -","- C100 H64 O12 S8 -","4","2","","Saad, Ali; Jeannin, Olivier; Fourmigué, Marc","Helical organization of chiral binaphthyl tetrathiafulvalene primary amides through hydrogen bonding interactions","CrystEngComm","2010","12","11","3866","","10.1039/c004320f","","","0.71073","MoKα","","0.1291","0.0725","","","0.1717","0.2005","","","","","","1.03","","","","has coordinates,has disorder","244106","2020-10-21","18:00:00",""
"7238292","35.007","0.013","7.425","0.002","11.354","0.005","90","","105.52","0.03","90","","2843.6","1.9","293","2","293","2","","","","","","","synthesis as described","4","C 1 2 1","C 2y","5","","","","- C32 H22 O6 S4 -","- C32 H22 O6 S4 -","- C128 H88 O24 S16 -","4","1","","Saad, Ali; Jeannin, Olivier; Fourmigué, Marc","Helical organization of chiral binaphthyl tetrathiafulvalene primary amides through hydrogen bonding interactions","CrystEngComm","2010","12","11","3866","","10.1039/c004320f","","x-ray","0.71073","MoKα","","0.0732","0.0594","","","0.1172","0.1237","","","","","","1.08","","","","has coordinates","244106","2020-10-21","18:00:00",""
"7238293","11.4261","0.0006","8.1962","0.0004","19.7771","0.0008","90","","104.035","0.006","90","","1796.85","0.16","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H32 N2 O6 S6 -","- C34 H32 N2 O6 S6 -","- C68 H64 N4 O12 S12 -","2","1","","Saad, Ali; Jeannin, Olivier; Fourmigué, Marc","Helical organization of chiral binaphthyl tetrathiafulvalene primary amides through hydrogen bonding interactions","CrystEngComm","2010","12","11","3866","","10.1039/c004320f","","","0.71073","MoKα","","0.0954","0.0525","","","0.104","0.1208","","","","","","1.037","","","","has coordinates,has disorder","244106","2020-10-21","18:00:00",""
"7238294","8.4781","0.0005","11.7306","0.0007","20.1726","0.0009","90","","91.661","0.006","90","","2005.39","0.19","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H16 O3 S2 -","- C25 H16 O3 S2 -","- C100 H64 O12 S8 -","4","2","","Saad, Ali; Jeannin, Olivier; Fourmigué, Marc","Helical organization of chiral binaphthyl tetrathiafulvalene primary amides through hydrogen bonding interactions","CrystEngComm","2010","12","11","3866","","10.1039/c004320f","","","0.71073","MoKα","","0.0912","0.0677","","","0.1784","0.1947","","","","","","1.033","","","","has coordinates","244106","2020-10-21","18:00:00",""
"7238295","27.6611","0.0018","10.8856","0.0007","20.7761","0.0014","90","","110.693","0.001","90","","5852.3","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H22 Ag N4 Nd O13 -","- C28 H22 Ag N4 Nd O13 -","- C224 H176 Ag8 N32 Nd8 O104 -","8","1","","Chen, Man-Sheng; Su, Zhi; Chen, Min; Chen, Shui-Sheng; Li, Yi-Zhi; Sun, Wei-Yin","Three-dimensional lanthanide‒silver heterometallic coordination polymers: syntheses, structures and properties","CrystEngComm","2010","12","10","3267","","10.1039/c005207h","","","0.71073","MoKα","","0.0445","0.0411","","","0.1075","0.1102","","","","","","1.072","","","","has coordinates","244108","2020-10-21","18:00:00",""
"7238296","27.543","0.003","10.809","0.0011","20.637","0.002","90","","110.706","0.002","90","","5747","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H22 Ag N4 O13 Sm -","- C28 H22 Ag N4 O13 Sm -","- C224 H176 Ag8 N32 O104 Sm8 -","8","1","","Chen, Man-Sheng; Su, Zhi; Chen, Min; Chen, Shui-Sheng; Li, Yi-Zhi; Sun, Wei-Yin","Three-dimensional lanthanide‒silver heterometallic coordination polymers: syntheses, structures and properties","CrystEngComm","2010","12","10","3267","","10.1039/c005207h","","","0.71073","MoKα","","0.0461","0.0401","","","0.114","0.118","","","","","","1.041","","","","has coordinates","244108","2020-10-21","18:00:00",""
"7238297","27.647","0.003","10.9007","0.001","20.8067","0.0019","90","","110.571","0.001","90","","5870.7","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H22 Ag Eu N4 O13 -","- C28 H22 Ag Eu N4 O13 -","- C224 H176 Ag8 Eu8 N32 O104 -","8","1","","Chen, Man-Sheng; Su, Zhi; Chen, Min; Chen, Shui-Sheng; Li, Yi-Zhi; Sun, Wei-Yin","Three-dimensional lanthanide‒silver heterometallic coordination polymers: syntheses, structures and properties","CrystEngComm","2010","12","10","3267","","10.1039/c005207h","","","0.71073","MoKα","","0.0508","0.0475","","","0.1357","0.138","","","","","","1.044","","","","has coordinates","244108","2020-10-21","18:00:00",""
"7238298","27.607","0.002","10.7939","0.001","20.6785","0.0019","90","","110.828","0.001","90","","5759.3","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H22 Ag Gd N4 O13 -","- C28 H22 Ag Gd N4 O13 -","- C224 H176 Ag8 Gd8 N32 O104 -","8","1","","Chen, Man-Sheng; Su, Zhi; Chen, Min; Chen, Shui-Sheng; Li, Yi-Zhi; Sun, Wei-Yin","Three-dimensional lanthanide‒silver heterometallic coordination polymers: syntheses, structures and properties","CrystEngComm","2010","12","10","3267","","10.1039/c005207h","","","0.71073","MoKα","","0.0522","0.0492","","","0.1409","0.144","","","","","","1.087","","","","has coordinates","244108","2020-10-21","18:00:00",""
"7238299","27.572","0.002","10.7584","0.0008","20.6212","0.0016","90","","110.856","0.001","90","","5716.1","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H22 Ag N4 O13 Tb -","- C28 H22 Ag N4 O13 Tb -","- C224 H176 Ag8 N32 O104 Tb8 -","8","1","","Chen, Man-Sheng; Su, Zhi; Chen, Min; Chen, Shui-Sheng; Li, Yi-Zhi; Sun, Wei-Yin","Three-dimensional lanthanide‒silver heterometallic coordination polymers: syntheses, structures and properties","CrystEngComm","2010","12","10","3267","","10.1039/c005207h","","","0.71073","MoKα","","0.0524","0.0471","","","0.1302","0.1353","","","","","","0.976","","","","has coordinates","244108","2020-10-21","18:00:00",""
"7238300","10.5151","0.001","11.19","0.0011","13.7534","0.0013","107.969","0.002","106.787","0.001","103.22","0.002","1381.1","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H18 Ag La N4 O11 -","- C28 H18 Ag La N4 O11 -","- C56 H36 Ag2 La2 N8 O22 -","2","1","","Chen, Man-Sheng; Su, Zhi; Chen, Min; Chen, Shui-Sheng; Li, Yi-Zhi; Sun, Wei-Yin","Three-dimensional lanthanide‒silver heterometallic coordination polymers: syntheses, structures and properties","CrystEngComm","2010","12","10","3267","","10.1039/c005207h","","","0.71073","MoKα","","0.0353","0.0334","","","0.0913","0.0926","","","","","","1.035","","","","has coordinates","244108","2020-10-21","18:00:00",""
"7238301","10.499","0.002","11.141","0.002","13.738","0.003","107.772","0.003","106.823","0.003","102.759","0.004","1377.9","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H18 Ag N4 O11 Pr -","- C28 H18 Ag N4 O11 Pr -","- C56 H36 Ag2 N8 O22 Pr2 -","2","1","","Chen, Man-Sheng; Su, Zhi; Chen, Min; Chen, Shui-Sheng; Li, Yi-Zhi; Sun, Wei-Yin","Three-dimensional lanthanide‒silver heterometallic coordination polymers: syntheses, structures and properties","CrystEngComm","2010","12","10","3267","","10.1039/c005207h","","","0.71073","MoKα","","0.0368","0.036","","","0.0966","0.0974","","","","","","1.031","","","","has coordinates","244108","2020-10-21","18:00:00",""
"7238302","10.4585","0.0011","11.0901","0.0012","13.689","0.0015","107.747","0.002","106.852","0.001","102.64","0.002","1362.6","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H18 Ag N4 Nd O11 -","- C28 H18 Ag N4 Nd O11 -","- C56 H36 Ag2 N8 Nd2 O22 -","2","1","","Chen, Man-Sheng; Su, Zhi; Chen, Min; Chen, Shui-Sheng; Li, Yi-Zhi; Sun, Wei-Yin","Three-dimensional lanthanide‒silver heterometallic coordination polymers: syntheses, structures and properties","CrystEngComm","2010","12","10","3267","","10.1039/c005207h","","","0.71073","MoKα","","0.0359","0.0331","","","0.0829","0.0843","","","","","","1.014","","","","has coordinates","244108","2020-10-21","18:00:00",""
"7238303","9.8607","0.001","11.3727","0.0012","13.7453","0.0014","73.704","0.002","70.747","0.001","83.917","0.002","1396.6","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H20 Ag Dy N4 O12 -","- C28 H20 Ag Dy N4 O12 -","- C56 H40 Ag2 Dy2 N8 O24 -","2","1","","Chen, Man-Sheng; Su, Zhi; Chen, Min; Chen, Shui-Sheng; Li, Yi-Zhi; Sun, Wei-Yin","Three-dimensional lanthanide‒silver heterometallic coordination polymers: syntheses, structures and properties","CrystEngComm","2010","12","10","3267","","10.1039/c005207h","","","0.71073","MoKα","","0.0487","0.045","","","0.1191","0.121","","","","","","1.015","","","","has coordinates","244108","2020-10-21","18:00:00",""
"7238304","9.8334","0.0014","11.3098","0.0017","13.721","0.002","73.916","0.003","70.673","0.002","83.962","0.003","1383.5","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H20 Ag Er N4 O12 -","- C28 H20 Ag Er N4 O12 -","- C56 H40 Ag2 Er2 N8 O24 -","2","1","","Chen, Man-Sheng; Su, Zhi; Chen, Min; Chen, Shui-Sheng; Li, Yi-Zhi; Sun, Wei-Yin","Three-dimensional lanthanide‒silver heterometallic coordination polymers: syntheses, structures and properties","CrystEngComm","2010","12","10","3267","","10.1039/c005207h","","","0.71073","MoKα","","0.0401","0.0359","","","0.0937","0.1002","","","","","","1.063","","","","has coordinates","244108","2020-10-21","18:00:00",""
"7238305","4.8532","0.0006","13.938","0.0018","21.639","0.003","90","","90","","90","","1463.7","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 N2 O6 S2 Zn -","- C12 H10 N2 O6 S2 Zn -","- C48 H40 N8 O24 S8 Zn4 -","4","1","","Zhang, Ya-Nan; Wang, Yao-Yu; Hou, Lei; Liu, Ping; Liu, Jian-Qiang; Shi, Qi-Zhen","A series of metal‒organic coordination polymers assembled with disulfide ligand involving in situ cleavage of S‒S under co-ligand intervention","CrystEngComm","2010","12","11","3840","","10.1039/c005228k","","","0.71073","MoKα","","0.0382","0.0299","","","0.0704","0.0737","","","","","","0.884","","","","has coordinates","244109","2020-10-21","18:00:00",""
"7238306","11.551","0.014","19.65","0.02","12.34","0.016","90","","102.913","0.018","90","","2730","6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H26 N4 O10 S2 Zn -","- C22 H26 N4 O10 S2 Zn -","- C88 H104 N16 O40 S8 Zn4 -","4","0.5","","Zhang, Ya-Nan; Wang, Yao-Yu; Hou, Lei; Liu, Ping; Liu, Jian-Qiang; Shi, Qi-Zhen","A series of metal‒organic coordination polymers assembled with disulfide ligand involving in situ cleavage of S‒S under co-ligand intervention","CrystEngComm","2010","12","11","3840","","10.1039/c005228k","","","0.71073","MoKα","","0.2422","0.1145","","","0.255","0.2699","","","","","","1.065","","","","has coordinates,has disorder","244109","2020-10-21","18:00:00",""
"7238307","7.5238","0.0006","21.9578","0.0017","33.012","0.003","90","","95.252","0.001","90","","5430.9","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H45 N9 O12 S4 Zn2 -","- C54 H45 N9 O12 S4 Zn2 -","- C216 H180 N36 O48 S16 Zn8 -","4","1","","Zhang, Ya-Nan; Wang, Yao-Yu; Hou, Lei; Liu, Ping; Liu, Jian-Qiang; Shi, Qi-Zhen","A series of metal‒organic coordination polymers assembled with disulfide ligand involving in situ cleavage of S‒S under co-ligand intervention","CrystEngComm","2010","12","11","3840","","10.1039/c005228k","","","0.71073","MoKα","","0.1066","0.0519","","","0.1135","0.1258","","","","","","1.022","","","","has coordinates,has disorder","244109","2020-10-21","18:00:00",""
"7238308","9.3823","0.0012","12.2541","0.0016","12.379","0.003","113.038","0.003","92.382","0.003","112.13","0.002","1183","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H40 Cu2 N8 O12 S4 -","- C46 H40 Cu2 N8 O12 S4 -","- C46 H40 Cu2 N8 O12 S4 -","1","0.5","","Zhang, Ya-Nan; Wang, Yao-Yu; Hou, Lei; Liu, Ping; Liu, Jian-Qiang; Shi, Qi-Zhen","A series of metal‒organic coordination polymers assembled with disulfide ligand involving in situ cleavage of S‒S under co-ligand intervention","CrystEngComm","2010","12","11","3840","","10.1039/c005228k","","","0.71073","MoKα","","0.0457","0.0356","","","0.1022","0.1067","","","","","","1.009","","","","has coordinates","244109","2020-10-21","18:00:00",""
"7238309","7.5515","0.0003","11.1038","0.0005","16.2388","0.0007","108.814","0.001","92.037","0.001","97.01","0.001","1275.17","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H22.48 Cu N4 O8.24 S2 -","- C22 H20.96 Cu N4 O8.24 S2 -","- C44 H41.92 Cu2 N8 O16.48 S4 -","2","1","","Zhang, Ya-Nan; Wang, Yao-Yu; Hou, Lei; Liu, Ping; Liu, Jian-Qiang; Shi, Qi-Zhen","A series of metal‒organic coordination polymers assembled with disulfide ligand involving in situ cleavage of S‒S under co-ligand intervention","CrystEngComm","2010","12","11","3840","","10.1039/c005228k","","","0.71073","MoKα","","0.0448","0.0385","","","0.103","0.1065","","","","","","1.072","","","","has coordinates,has disorder","244109","2020-10-21","18:00:00",""
"7238310","8.522","0.009","10.18","0.011","17.534","0.019","90","","100.627","0.013","90","","1495","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H13 Cu N2 O6 S -","- C12 H13 Cu N2 O6 S -","- C48 H52 Cu4 N8 O24 S4 -","4","1","","Zhang, Ya-Nan; Wang, Yao-Yu; Hou, Lei; Liu, Ping; Liu, Jian-Qiang; Shi, Qi-Zhen","A series of metal‒organic coordination polymers assembled with disulfide ligand involving in situ cleavage of S‒S under co-ligand intervention","CrystEngComm","2010","12","11","3840","","10.1039/c005228k","","","0.71073","MoKα","","0.136","0.0698","","","0.139","0.168","","","","","","1.042","","","","has coordinates","244109","2020-10-21","18:00:00",""
"7238311","8.8779","0.0016","11.91","0.002","12.284","0.002","91.799","0.003","93.476","0.003","102.816","0.003","1262.8","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H14 Cd2 N4 O4 S2 -","- C24 H14 Cd2 N4 O4 S2 -","- C48 H28 Cd4 N8 O8 S4 -","2","1","","Zhang, Ya-Nan; Wang, Yao-Yu; Hou, Lei; Liu, Ping; Liu, Jian-Qiang; Shi, Qi-Zhen","A series of metal‒organic coordination polymers assembled with disulfide ligand involving in situ cleavage of S‒S under co-ligand intervention","CrystEngComm","2010","12","11","3840","","10.1039/c005228k","","","0.71073","MoKα","","0.0988","0.0571","","","0.1416","0.1597","","","","","","1.078","","","","has coordinates","244109","2020-10-21","18:00:00",""
"7238312","16.202","0.007","22.691","0.01","16.772","0.01","90","","114.511","0.008","90","","5610","5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H20.4 Cd N4 O6.2 S2 -","- C24 H20.4 Cd N4 O6.2 S2 -","- C192 H163.2 Cd8 N32 O49.6 S16 -","8","1","","Zhang, Ya-Nan; Wang, Yao-Yu; Hou, Lei; Liu, Ping; Liu, Jian-Qiang; Shi, Qi-Zhen","A series of metal‒organic coordination polymers assembled with disulfide ligand involving in situ cleavage of S‒S under co-ligand intervention","CrystEngComm","2010","12","11","3840","","10.1039/c005228k","","","0.71073","MoKα","","0.1127","0.0571","","","0.1478","0.1717","","","","","","0.889","","","","has coordinates,has disorder","244109","2020-10-21","18:00:00",""
"7238313","14.222","0.003","28.141","0.006","16.88","0.003","90","","102.59","0.03","90","","6593","2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H26 Cu F12 N6 P2 -","- C29 H26 Cu F12 N6 P2 -","- C232 H208 Cu8 F96 N48 P16 -","8","2","","Constable, Edwin C.; Housecroft, Catherine E.; Price, Jason R.; Zampese, Jennifer A.","When five are six: the myth of five-coordinate copper(ii) in supramolecular chemistry","CrystEngComm","2010","12","10","3163","","10.1039/c0ce00019a","","","0.71073","MoKα","","0.0448","0.0414","","","0.1108","0.1134","","","","","","1.099","","","","has coordinates","244115","2020-10-21","18:00:00",""
"7238314","17.011","0.003","10.486","0.002","16.317","0.003","90","","106.79","0.03","90","","2786.5","1","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 Cu F12 N5 P2 -","- C25 H19 Cu F12 N5 P2 -","- C100 H76 Cu4 F48 N20 P8 -","4","1","","Constable, Edwin C.; Housecroft, Catherine E.; Price, Jason R.; Zampese, Jennifer A.","When five are six: the myth of five-coordinate copper(ii) in supramolecular chemistry","CrystEngComm","2010","12","10","3163","","10.1039/c0ce00019a","","","0.71073","MoKα","","0.0412","0.0406","","","0.1119","0.1127","","","","","","1.105","","","","has coordinates","244115","2020-10-21","18:00:00",""
"7238315","16.406","0.003","20.617","0.004","8.9854","0.0018","90","","90","","90","","3039.2","1","223","2","223","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C29 H23 Cu F12 N5 P2 -","- C29 H23 Cu F12 N5 P2 -","- C116 H92 Cu4 F48 N20 P8 -","4","0.5","","Constable, Edwin C.; Housecroft, Catherine E.; Price, Jason R.; Zampese, Jennifer A.","When five are six: the myth of five-coordinate copper(ii) in supramolecular chemistry","CrystEngComm","2010","12","10","3163","","10.1039/c0ce00019a","","","0.71073","MoKα","","0.0474","0.0466","","","0.1109","0.1115","","","","","","1.214","","","","has coordinates,has disorder","244115","2020-10-21","18:00:00",""
"7238316","8.3566","0.0017","29.699","0.006","14.607","0.003","90","","94.78","0.03","90","","3612.6","1.3","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C64 H54 Cu2 F24 N12 O5 P4 -","- C64 H52 Cu2 F24 N12 O5 P4 -","- C128 H104 Cu4 F48 N24 O10 P8 -","2","0.5","","Constable, Edwin C.; Housecroft, Catherine E.; Price, Jason R.; Zampese, Jennifer A.","When five are six: the myth of five-coordinate copper(ii) in supramolecular chemistry","CrystEngComm","2010","12","10","3163","","10.1039/c0ce00019a","","","0.71073","MoKα","","0.0712","0.0591","","","0.1452","0.1536","","","","","","1.063","","","","has coordinates,has disorder","244115","2020-10-21","18:00:00",""
"7238317","19.703","0.004","11.221","0.002","15.989","0.003","90","","111.56","0.03","90","","3287.6","1.3","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C108 H100 Cu4 F48 N20 O4 P8 -","- C108 H94 Cu4 F48 N20 O4 P8 -","- C108 H94 Cu4 F48 N20 O4 P8 -","1","0.25","","Constable, Edwin C.; Housecroft, Catherine E.; Price, Jason R.; Zampese, Jennifer A.","When five are six: the myth of five-coordinate copper(ii) in supramolecular chemistry","CrystEngComm","2010","12","10","3163","","10.1039/c0ce00019a","","","0.71073","MoKα","","0.0642","0.0595","","","0.1657","0.1707","","","","","","1.082","","","","has coordinates,has disorder","244115","2020-10-21","18:00:00",""
"7238318","11.257","0.002","13.441","0.003","24.554","0.005","90","","101.57","0.03","90","","3639.7","1.3","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H27 Cu F12 N5 P2 -","- C37 H27 Cu F12 N5 P2 -","- C148 H108 Cu4 F48 N20 P8 -","4","1","","Constable, Edwin C.; Housecroft, Catherine E.; Price, Jason R.; Zampese, Jennifer A.","When five are six: the myth of five-coordinate copper(ii) in supramolecular chemistry","CrystEngComm","2010","12","10","3163","","10.1039/c0ce00019a","","","0.71073","MoKα","","0.0557","0.0509","","","0.1249","0.1282","","","","","","1.075","","","","has coordinates,has disorder","244115","2020-10-21","18:00:00",""
"7238319","11.866","0.002","14.572","0.003","22.212","0.004","86.03","0.03","76.02","0.03","88.28","0.03","3717.7","1.3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C115 H108.5 Cu4 F48 N21.5 O4 P8 S4 -","- C115 H102.5 Cu4 F48 N21.5 O4 P8 S4 -","- C115 H102.5 Cu4 F48 N21.5 O4 P8 S4 -","1","0.5","","Constable, Edwin C.; Housecroft, Catherine E.; Price, Jason R.; Zampese, Jennifer A.","When five are six: the myth of five-coordinate copper(ii) in supramolecular chemistry","CrystEngComm","2010","12","10","3163","","10.1039/c0ce00019a","","","0.71073","MoKα","","0.0712","0.0655","","","0.1722","0.1779","","","","","","1.078","","","","has coordinates,has disorder","244115","2020-10-21","18:00:00",""
"7238320","5.021","0.0005","13.128","0.0011","13.2385","0.0012","105.164","0.007","98.715","0.008","100.835","0.008","808.48","0.14","183","2","183","2","","","","","","","","5","P -1","-P 1","2","5-fluoro-1-(3-hydroxypropyl)pyrimidine-2,4(1H,3H)-dione","5-fluoro-1-(3-hydroxypropyl)pyrimidine-2,4(1H,3H)-dione","","- C7 H9 F N2 O3 -","- C7 H9 F N2 O3 -","- C28 H36 F4 N8 O12 -","4","2","","Barceló-Oliver, Miquel; Estarellas, Carolina; García-Raso, Angel; Terrón, Angel; Frontera, Antonio; Quiñonero, David; Mata, Ignasi; Molins, Elies; Deyà, Pere M.","Experimental and theoretical study of uracil derivatives: the crucial role of weak fluorine‒fluorine noncovalent interactions","CrystEngComm","2010","12","11","3758","","10.1039/c0ce00048e","","","0.7107","MoKα","","0.116","0.0637","","","0.1697","0.1846","","","","","","1.135","","","","has coordinates","244116","2020-10-21","18:00:00",""
"7238321","8.44","0.005","5.117","0.002","26.516","0.011","90","","95.37","0.04","90","","1140.1","0.9","294","2","294","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H13 F N2 O5 -","- C9 H13 F N2 O5 -","- C36 H52 F4 N8 O20 -","4","1","","Barceló-Oliver, Miquel; Estarellas, Carolina; García-Raso, Angel; Terrón, Angel; Frontera, Antonio; Quiñonero, David; Mata, Ignasi; Molins, Elies; Deyà, Pere M.","Experimental and theoretical study of uracil derivatives: the crucial role of weak fluorine‒fluorine noncovalent interactions","CrystEngComm","2010","12","11","3758","","10.1039/c0ce00048e","","x-ray","0.71073","MoKα","","0.1651","0.0675","","","0.2066","0.2683","","","","","","0.791","","","","has coordinates","244116","2020-10-21","18:00:00",""
"7238322","7.4213","0.0004","7.6629","0.0005","8.9501","0.0005","80.468","0.001","79.331","0.001","63.62","0.001","446.08","0.05","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 Cd N6 O8 -","- C16 H16 Cd N6 O8 -","- C16 H16 Cd N6 O8 -","1","0.5","","Lucas, Jacqueline S.; Pochodylo, Amy L.; LaDuca, Robert L.","Cadmium bis(4-pyridylformyl)piperazine coordination polymers: layered nets and a novel 3,5-connected binodal lattice","CrystEngComm","2010","12","10","3310","","10.1039/c0ce00117a","","","0.71073","MoKα","","0.0354","0.0352","","","0.0911","0.0913","","","","","","1.094","","","","has coordinates","244117","2020-10-21","18:00:00",""
"7238323","7.5591","0.0005","11.1614","0.0008","13.0251","0.0009","76.816","0.001","89.292","0.001","79.61","0.001","1051.95","0.13","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H38 Cd Cl2 N8 O17 -","- C32 H32 Cd Cl2 N8 O17 -","- C32 H32 Cd Cl2 N8 O17 -","1","0.5","","Lucas, Jacqueline S.; Pochodylo, Amy L.; LaDuca, Robert L.","Cadmium bis(4-pyridylformyl)piperazine coordination polymers: layered nets and a novel 3,5-connected binodal lattice","CrystEngComm","2010","12","10","3310","","10.1039/c0ce00117a","","","0.71073","MoKα","","0.0637","0.0628","","","0.1741","0.1755","","","","","","1.067","","","","has coordinates,has disorder","244117","2020-10-21","18:00:00",""
"7238324","16.6972","0.0008","10.6293","0.0005","10.8051","0.0005","90","","90.456","0.001","90","","1917.62","0.16","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 Cd N4 O8 S -","- C16 H20 Cd N4 O8 S -","- C64 H80 Cd4 N16 O32 S4 -","4","1","","Lucas, Jacqueline S.; Pochodylo, Amy L.; LaDuca, Robert L.","Cadmium bis(4-pyridylformyl)piperazine coordination polymers: layered nets and a novel 3,5-connected binodal lattice","CrystEngComm","2010","12","10","3310","","10.1039/c0ce00117a","","","0.71073","MoKα","","0.0424","0.0397","","","0.1084","0.1114","","","","","","1.155","","","","has coordinates,has disorder","244117","2020-10-21","18:00:00",""
"7238325","8.1952","0.0009","13.7577","0.0017","13.8979","0.0015","62.529","0.009","79.016","0.009","80.401","0.01","1359.2","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H50 Ag2 B2 F8 N14 -","- C54 H50 Ag2 B2 F8 N14 -","- C54 H50 Ag2 B2 F8 N14 -","1","0.5","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Zampese, Jennifer A.","Same head, different scaffold: a plethora of structural motifs assembled from silver(i) and ditopic 2,2′-bipyridine ligands","CrystEngComm","2010","12","11","3724","","10.1039/c0ce00120a","","","0.71073","MoKα","","0.0303","0.0295","","","0.078","0.0787","","","","","","1.077","","","","has coordinates,has disorder","244118","2020-10-21","18:00:00",""
"7238326","12.7811","0.0017","13.3183","0.0019","15.009","0.002","88.944","0.011","88.793","0.012","66.108","0.011","2335.3","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H40 Ag2 B2 F8 N12 -","- C48 H40 Ag2 B2 F8 N12 -","- C96 H80 Ag4 B4 F16 N24 -","2","1","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Zampese, Jennifer A.","Same head, different scaffold: a plethora of structural motifs assembled from silver(i) and ditopic 2,2′-bipyridine ligands","CrystEngComm","2010","12","11","3724","","10.1039/c0ce00120a","","","0.71073","MoKα","","0.0382","0.0317","","","0.0707","0.0734","","","","","","1.095","","","","has coordinates,has disorder","244118","2020-10-21","18:00:00",""
"7238327","15.618","0.003","24.416","0.005","15.972","0.003","90","","97.12","0.03","90","","6044","2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C222 H217 Ag12 B12 F48 N55 O2 -","- C222 H213 Ag12 B12 F48 N55 O2 -","- C222 H213 Ag12 B12 F48 N55 O2 -","1","0.25","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Zampese, Jennifer A.","Same head, different scaffold: a plethora of structural motifs assembled from silver(i) and ditopic 2,2′-bipyridine ligands","CrystEngComm","2010","12","11","3724","","10.1039/c0ce00120a","","","0.71073","MoKα","","0.05","0.0466","","","0.0998","0.1015","","","","","","1.198","","","","has coordinates,has disorder","244118","2020-10-21","18:00:00",""
"7238328","13.1675","0.0015","13.4693","0.0016","13.859","0.0017","66.869","0.009","81.171","0.01","89.39","0.01","2230.3","0.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C88 H70 Ag4 B4 F16 N24 O3 -","- C88 H64 Ag4 B4 F16 N24 O3 -","- C88 H64 Ag4 B4 F16 N24 O3 -","1","0.5","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Zampese, Jennifer A.","Same head, different scaffold: a plethora of structural motifs assembled from silver(i) and ditopic 2,2′-bipyridine ligands","CrystEngComm","2010","12","11","3724","","10.1039/c0ce00120a","","","0.71073","MoKα","","0.0723","0.0695","","","0.1753","0.1776","","","","","","1.04","","","","has coordinates","244118","2020-10-21","18:00:00",""
"7238329","8.8282","0.0004","9.3941","0.0004","13.1958","0.0006","90.195","0.001","99.321","0.001","104.272","0.001","1045.51","0.08","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H18 Mn2 N2 O10 -","- C19 H18 Mn2 N2 O10 -","- C38 H36 Mn4 N4 O20 -","2","1","","Yao, Ru-Xin; Hao, Zheng-Ming; Guo, Cai-Hong; Zhang, Xian-Ming","Enantiomers of conformation-flexible cyclopentane-1,2,3,4-tetracarboxylate in metal‒organic frameworks","CrystEngComm","2010","12","12","4416","","10.1039/c0ce00144a","","","0.71073","MoKα","","0.0491","0.0406","","","0.1064","0.1139","","","","","","1.055","","","","has coordinates","244119","2020-10-21","18:00:00",""
"7238330","8.8979","0.0003","9.3724","0.0003","13.7369","0.0005","90.739","0.001","103.451","0.001","104.086","0.001","1077.72","0.06","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 Mn2 N2 O10 -","- C21 H18 Mn2 N2 O10 -","- C42 H36 Mn4 N4 O20 -","2","1","","Yao, Ru-Xin; Hao, Zheng-Ming; Guo, Cai-Hong; Zhang, Xian-Ming","Enantiomers of conformation-flexible cyclopentane-1,2,3,4-tetracarboxylate in metal‒organic frameworks","CrystEngComm","2010","12","12","4416","","10.1039/c0ce00144a","","","0.71073","MoKα","","0.0358","0.0325","","","0.086","0.0897","","","","","","1.033","","","","has coordinates","244119","2020-10-21","18:00:00",""
"7238331","8.9211","0.0005","15.8053","0.0008","21.9313","0.0012","92.764","0.001","91.575","0.001","90.407","0.001","3087.5","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H54 Mn4 N8 O21 -","- C66 H54 Mn4 N8 O21 -","- C132 H108 Mn8 N16 O42 -","2","1","","Yao, Ru-Xin; Hao, Zheng-Ming; Guo, Cai-Hong; Zhang, Xian-Ming","Enantiomers of conformation-flexible cyclopentane-1,2,3,4-tetracarboxylate in metal‒organic frameworks","CrystEngComm","2010","12","12","4416","","10.1039/c0ce00144a","","","0.71073","MoKα","","0.1403","0.0789","","","0.1429","0.1793","","","","","","1.052","","","","has coordinates","244119","2020-10-21","18:00:00",""
"7238332","8.1398","0.0005","10.4304","0.0006","15.532","0.001","90","","104.846","0.001","90","","1274.67","0.14","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H12 Cd2 O11 -","- C9 H12 Cd2 O11 -","- C36 H48 Cd8 O44 -","4","1","","Yao, Ru-Xin; Hao, Zheng-Ming; Guo, Cai-Hong; Zhang, Xian-Ming","Enantiomers of conformation-flexible cyclopentane-1,2,3,4-tetracarboxylate in metal‒organic frameworks","CrystEngComm","2010","12","12","4416","","10.1039/c0ce00144a","","","0.71073","MoKα","","0.0366","0.0306","","","0.1123","0.139","","","","","","1.193","","","","has coordinates","244119","2020-10-21","18:00:00",""
"7238333","7.4257","0.0015","24.942","0.005","14.488","0.003","90","","103.87","0.03","90","","2605.1","1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 Cd N6 O9 -","- C23 H26 Cd N6 O9 -","- C92 H104 Cd4 N24 O36 -","4","1","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Sheet, ladder or chain? Small substituents in 4′-phenyl-4,2′:6′,4″-terpyridines control dimensionality in cadmium(ii) coordination polymers","CrystEngComm","2010","12","11","3733","","10.1039/c0ce00175a","","","0.71073","MoKα","","0.046","0.0415","","","0.1017","0.1087","","","","","","1.157","","","","has coordinates,has disorder","244120","2020-10-21","18:00:00",""
"7238334","10.59","0.004","11.46","0.006","17.775","0.009","77.232","0.019","75.175","0.016","63.319","0.015","1849.2","1.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H35 Cd F6 N6 O11 -","- C34 H35 Cd F6 N6 O11 -","- C68 H70 Cd2 F12 N12 O22 -","2","1","","Zhang, Lai-Ping; Ma, Jian-Fang; Pang, Yuan-Yuan; Ma, Ji-Cheng; Yang, Jin","Four novel topological frameworks based on 4,4′-(hexafluoroisopropylidene)diphthalic acid and 1,1′-(1,4-butanediyl)bis(imidazole) ligand","CrystEngComm","2010","12","12","4433","","10.1039/c0ce00181c","","","0.71069","MoKα","","0.0395","0.033","","","0.0944","0.1117","","","","","","1.152","","","","has coordinates","244121","2020-10-21","18:00:00",""
"7238335","7.838","0.005","11.043","0.005","16.485","0.005","73.063","0.005","80.033","0.005","85.796","0.005","1344","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H19 Cd2 F6 N2 O10.5 -","- C24 H17 Cd2 F6 N2 O10.5 -","- C48 H34 Cd4 F12 N4 O21 -","2","1","","Zhang, Lai-Ping; Ma, Jian-Fang; Pang, Yuan-Yuan; Ma, Ji-Cheng; Yang, Jin","Four novel topological frameworks based on 4,4′-(hexafluoroisopropylidene)diphthalic acid and 1,1′-(1,4-butanediyl)bis(imidazole) ligand","CrystEngComm","2010","12","12","4433","","10.1039/c0ce00181c","","","0.71069","MoKα","","0.0713","0.0366","","","0.0618","0.0682","","","","","","0.885","","","","has coordinates","244121","2020-10-21","18:00:00",""
"7238336","7.7343","0.0004","10.9887","0.0008","16.5426","0.001","73.026","0.006","80.561","0.005","85.382","0.005","1325.71","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H18 F6 Mn2 N2 O10.5 -","- C24 H17 F6 Mn2 N2 O10.5 -","- C48 H34 F12 Mn4 N4 O21 -","2","1","","Zhang, Lai-Ping; Ma, Jian-Fang; Pang, Yuan-Yuan; Ma, Ji-Cheng; Yang, Jin","Four novel topological frameworks based on 4,4′-(hexafluoroisopropylidene)diphthalic acid and 1,1′-(1,4-butanediyl)bis(imidazole) ligand","CrystEngComm","2010","12","12","4433","","10.1039/c0ce00181c","","","0.71073","MoKα","","0.0697","0.0479","","","0.116","0.1216","","","","","","0.935","","","","has coordinates","244121","2020-10-21","18:00:00",""
"7238337","11.021","0.003","20.571","0.006","18.561","0.006","90","","105.822","0.01","90","","4049","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H33 F6 N6 O9 Zn2 -","- C36 H33 F6 N6 O9 Zn2 -","- C144 H132 F24 N24 O36 Zn8 -","4","1","","Zhang, Lai-Ping; Ma, Jian-Fang; Pang, Yuan-Yuan; Ma, Ji-Cheng; Yang, Jin","Four novel topological frameworks based on 4,4′-(hexafluoroisopropylidene)diphthalic acid and 1,1′-(1,4-butanediyl)bis(imidazole) ligand","CrystEngComm","2010","12","12","4433","","10.1039/c0ce00181c","","","0.71069","MoKα","","0.1152","0.0702","","","0.1912","0.2198","","","","","","1.047","","","","has coordinates","244121","2020-10-21","18:00:00",""
"7238338","3.7854","0.0003","46.326","0.005","6.1728","0.0006","90","","104.357","0.006","90","","1048.67","0.18","120","2","120","2","","","","","","","","4","C 1 c 1","C -2yc","9","","Dimethyl 1,8-naphthyridine-2,7-dicarboxylate","","- C12 H10 N2 O4 -","- C12 H10 N2 O4 -","- C48 H40 N8 O16 -","4","1","","Bailey, Andrew James; Horton, Peter Neil; Grossel, Martin Christopher","Self-assembly into infinite tapes by 2,7-disubstituted-1,8-naphthyridines in the solid state","CrystEngComm","2010","12","12","4074","","10.1039/C0CE00243G","","","0.71073","MoKα","","0.0539","0.0465","","","0.1237","0.1298","","","","","","1.057","","","","has coordinates","244122","2020-10-21","18:00:00",""
"7238339","17.7099","0.0006","6.3908","0.0002","11.777","0.0005","90","","99.479","0.002","90","","1314.73","0.08","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Diethyl 1,8-naphthyridine-2,7-dicarboxylate","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C56 H56 N8 O16 -","4","0.5","","Bailey, Andrew James; Horton, Peter Neil; Grossel, Martin Christopher","Self-assembly into infinite tapes by 2,7-disubstituted-1,8-naphthyridines in the solid state","CrystEngComm","2010","12","12","4074","","10.1039/C0CE00243G","","","0.71073","MoKα","","0.0795","0.0575","","","0.1303","0.1441","","","","","","1.063","","","","has coordinates","244122","2020-10-21","18:00:00",""
"7238340","35.5","0.04","6.307","0.008","8.381","0.01","90","","93.849","0.013","90","","1872","4","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","dibenzyl 1,8-naphthyridine-2,7-dicarboxylate","","- C24 H18 N2 O4 -","- C24 H18 N2 O4 -","- C96 H72 N8 O16 -","4","0.5","","Bailey, Andrew James; Horton, Peter Neil; Grossel, Martin Christopher","Self-assembly into infinite tapes by 2,7-disubstituted-1,8-naphthyridines in the solid state","CrystEngComm","2010","12","12","4074","","10.1039/C0CE00243G","","","0.6939","synchrotron","","0.0718","0.0486","","","0.1208","0.1328","","","","","","1.033","","","","has coordinates","244122","2020-10-21","18:00:00",""
"7238341","5.0497","0.0003","28.8108","0.0015","6.3242","0.0004","90","","90","","90","","920.08","0.09","120","2","120","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","di-2-(pyridyl)methyl 1,8-naphthyridine-2,7-dicarboxylate","","- C22 H16 N4 O4 -","- C22 H16 N4 O4 -","- C44 H32 N8 O8 -","2","0.5","","Bailey, Andrew James; Horton, Peter Neil; Grossel, Martin Christopher","Self-assembly into infinite tapes by 2,7-disubstituted-1,8-naphthyridines in the solid state","CrystEngComm","2010","12","12","4074","","10.1039/C0CE00243G","","","0.71073","MoKα","","0.1268","0.0854","","","0.1211","0.1296","","","","","","1.831","","","","has coordinates","244122","2020-10-21","18:00:00",""
"7238342","13.4667","0.0006","19.3913","0.001","6.3165","0.0003","90","","90","","90","","1649.47","0.14","120","2","120","2","","","","","","","","3","F d d 2","F 2 -2d","43","","2,7-dimethyl-1,8-naphthyridine","","- C10 H10 N2 -","- C10 H10 N2 -","- C80 H80 N16 -","8","0.5","","Bailey, Andrew James; Horton, Peter Neil; Grossel, Martin Christopher","Self-assembly into infinite tapes by 2,7-disubstituted-1,8-naphthyridines in the solid state","CrystEngComm","2010","12","12","4074","","10.1039/C0CE00243G","","","0.71073","MoKα","","0.0648","0.0574","","","0.114","0.1215","","","","","","1.144","","","","has coordinates","244122","2020-10-21","18:00:00",""
"7238343","19.824","0.004","6.8479","0.0014","19.765","0.004","90","","117.16","0.03","90","","2387.3","1.1","295","2","295","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H22 Mn3 N2 O21 -","- C16 H22 Mn3 N2 O21 -","- C64 H88 Mn12 N8 O84 -","4","1","","Zheng, Yue‒Qing; Xu, Wei; Zhu, Hong-Lin; Lin, Jian-Li; Zhao, Li; Dong, You‒Ren","New pyridine-2,4,6-tricarboxylato coordination polymers: Synthesis, crystal structures and properties","CrystEngComm","2011","13","7","2699","","10.1039/c0ce00365d","","","0.71073","MoKα","","0.0346","0.027","","","0.0578","0.0685","","","","","","1.11","","","","has coordinates","244123","2020-10-21","18:00:00",""
"7238344","15.9192","0.0006","5.9225","0.0003","18.5992","0.0008","90","","90","","90","","1753.56","0.13","295","2","295","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C16 H8 Co3 N2 O14 -","- C16 H8 Co3 N2 O14 -","- C64 H32 Co12 N8 O56 -","4","0.5","","Zheng, Yue‒Qing; Xu, Wei; Zhu, Hong-Lin; Lin, Jian-Li; Zhao, Li; Dong, You‒Ren","New pyridine-2,4,6-tricarboxylato coordination polymers: Synthesis, crystal structures and properties","CrystEngComm","2011","13","7","2699","","10.1039/c0ce00365d","","","0.71073","MoKα","","0.0396","0.0259","","","0.0573","0.0589","","","","","","0.886","","","","has coordinates","244123","2020-10-21","18:00:00",""
"7238345","8.092","0.0016","8.998","0.0018","10.884","0.002","81.53","0.03","71.23","0.03","82.8","0.03","739.6","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 Co3 N4 O18 -","- C26 H24 Co3 N4 O18 -","- C26 H24 Co3 N4 O18 -","1","0.5","","Zheng, Yue‒Qing; Xu, Wei; Zhu, Hong-Lin; Lin, Jian-Li; Zhao, Li; Dong, You‒Ren","New pyridine-2,4,6-tricarboxylato coordination polymers: Synthesis, crystal structures and properties","CrystEngComm","2011","13","7","2699","","10.1039/c0ce00365d","","","0.71073","MoKα","","0.0507","0.0424","","","0.112","0.1224","","","","","","1.106","","","","has coordinates","244123","2020-10-21","18:00:00",""
"7238346","10.078","0.0002","16.9209","0.0003","20.2287","0.0004","90","","90","","90","","3449.58","0.11","200","2","200","2","","","","","","","synthesis as described","5","P c a b","-P 2bc 2ac","61","","","","- C12 H19 Co3 O11 P3 -","- C12 H15 Co3 O11 P3 -","- C96 H120 Co24 O88 P24 -","8","1","","Yang, Chen-I.; Song, Yu-Tang; Yeh, Yung-Jie; Liu, Yen-Hsiang; Tseng, Tien-Wen; Lu, Kuang-Lieh","A flexible tris-phosphonate for the design of copper and cobalt coordination polymers: unusual cage array topology and magnetic properties","CrystEngComm","2011","13","7","2678","","10.1039/c0ce00439a","","x-ray","0.71073","MoKα","","0.0774","0.0486","","","0.1397","0.1739","","","","","","1.185","","","","has coordinates","244124","2020-10-21","18:00:00",""
"7238347","8.8381","0.0005","9.0763","0.0005","12.3127","0.0008","95.218","0.002","101.701","0.002","111.775","0.002","883.03","0.09","200","2","200","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C12 H21 Cu2 O11 P3 -","- C12 H17 Cu2 O11 P3 -","- C24 H34 Cu4 O22 P6 -","2","1","","Yang, Chen-I.; Song, Yu-Tang; Yeh, Yung-Jie; Liu, Yen-Hsiang; Tseng, Tien-Wen; Lu, Kuang-Lieh","A flexible tris-phosphonate for the design of copper and cobalt coordination polymers: unusual cage array topology and magnetic properties","CrystEngComm","2011","13","7","2678","","10.1039/c0ce00439a","","x-ray","0.71073","MoKα","","0.0426","0.0332","","","0.0794","0.0839","","","","","","1.044","","","","has coordinates","244124","2020-10-21","18:00:00",""
"7238348","4.8218","0.0002","19.8911","0.001","18.295","0.0008","90","","95.077","0.002","90","","1747.81","0.14","200","2","200","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H18.2 Cu3 O13.6 P3 -","- C9 H15 Cu3 O13.6 P3 -","- C36 H60 Cu12 O54.4 P12 -","4","1","","Yang, Chen-I.; Song, Yu-Tang; Yeh, Yung-Jie; Liu, Yen-Hsiang; Tseng, Tien-Wen; Lu, Kuang-Lieh","A flexible tris-phosphonate for the design of copper and cobalt coordination polymers: unusual cage array topology and magnetic properties","CrystEngComm","2011","13","7","2678","","10.1039/c0ce00439a","","x-ray","0.71073","MoKα","","0.0589","0.0395","","","0.0848","0.0956","","","","","","1.024","","","","has coordinates","244124","2020-10-21","18:00:00",""
"7238349","10.585","0.011","5.881","0.006","10.311","0.009","90","","107.9","0.02","90","","610.8","1","370","2","370","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H2 Cl3 N O -","- C2 H2 Cl3 N O -","- C8 H8 Cl12 N4 O4 -","4","1","","Saito, Kazuya; Yamamura, Yasuhisa; Kikuchi, Naoya; Nakao, Akiko; Yasuzuka, Syuma; Akishige, Yukikuni; Murakami, Youichi","Polarization reversal by intramolecular disordering in organic ferroelectrics: trichloroacetamide","CrystEngComm","2011","13","7","2693","","10.1039/c0ce00751j","","","0.6889","synchrotron","","0.0594","0.0494","","","0.1475","0.1575","","","","","","1.074","","","","has coordinates","244125","2020-10-21","18:00:00",""
"7238350","10.4368","0.0008","5.8004","0.0004","10.1922","0.0007","90","","107.561","0.001","90","","588.26","0.07","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C2 H2 Cl3 N O -","- C2 H2 Cl3 N O -","- C8 H8 Cl12 N4 O4 -","4","2","","Saito, Kazuya; Yamamura, Yasuhisa; Kikuchi, Naoya; Nakao, Akiko; Yasuzuka, Syuma; Akishige, Yukikuni; Murakami, Youichi","Polarization reversal by intramolecular disordering in organic ferroelectrics: trichloroacetamide","CrystEngComm","2011","13","7","2693","","10.1039/c0ce00751j","","","0.68933","synchrotron","","0.044","0.0432","","","0.121","0.1218","","","","","","1.072","","","","has coordinates","244125","2020-10-21","18:00:00",""
"7238351","16.147","0.003","16.147","0.003","16.624","0.004","90","","90","","120","","3753.6","1.3","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C58 H40 N2 O12 Zn3 -","- C57.9 H39.9 N1.98 O12 Zn3 -","- C173.7 H119.7 N5.94 O36 Zn9 -","3","0.166667","","Cheng, Ai-Ling; Ma, Yu; Sun, Qian; Gao, En-Qing","Layered and pillar-layered metal‒organic frameworks based on pinwheel trinuclear zinc-carboxylate clusters","CrystEngComm","2011","13","7","2721","","10.1039/c0ce00792g","","","0.71073","MoKα","","0.1181","0.0448","","","0.0488","0.0551","","","","","","0.8","","","","has coordinates,has disorder","244126","2020-10-21","18:00:00",""
"7238352","16.117","0.003","16.117","0.003","18.073","0.005","90","","90","","120","","4065.6","1.6","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C58 H38 N2 O12 Zn3 -","- C57.9 H37.92 N2 O12 Zn3 -","- C173.7 H113.76 N6 O36 Zn9 -","3","0.166667","","Cheng, Ai-Ling; Ma, Yu; Sun, Qian; Gao, En-Qing","Layered and pillar-layered metal‒organic frameworks based on pinwheel trinuclear zinc-carboxylate clusters","CrystEngComm","2011","13","7","2721","","10.1039/c0ce00792g","","","0.71073","MoKα","","0.0682","0.0407","","","0.0871","0.0946","","","","","","0.873","","","","has coordinates","244126","2020-10-21","18:00:00",""
"7238353","16.1001","0.0006","16.1001","0.0006","40.628","0.003","90","","90","","120","","9120.4","0.8","273","2","273","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C60 H48 N2 O15 Zn3 -","- C59.88 H41.88 N1.99333 O12 Zn3 -","- C359.28 H251.28 N11.96 O72 Zn18 -","6","0.5","","Cheng, Ai-Ling; Ma, Yu; Sun, Qian; Gao, En-Qing","Layered and pillar-layered metal‒organic frameworks based on pinwheel trinuclear zinc-carboxylate clusters","CrystEngComm","2011","13","7","2721","","10.1039/c0ce00792g","","","0.71073","MoKα","","0.1392","0.0537","","","0.1416","0.1616","","","","","","0.867","","","","has coordinates,has disorder","244126","2020-10-21","18:00:00",""
"7238354","11.476","0.002","26.337","0.005","16.155","0.003","90","","92.18","0.03","90","","4879.2","1.6","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C55 H45 Cu F6 O P4 S -","- C55 H45 Cu F6 O P4 S -","- C220 H180 Cu4 F24 O4 P16 S4 -","4","1","","Constable, Edwin C.; Housecroft, Catherine E.; Kopecky, Peter; Schönhofer, Ewald; Zampese, Jennifer A.","Restricting the geometrical relaxation in four-coordinate copper(i) complexes using face-to-face and edge-to-face π-interactions","CrystEngComm","2011","13","7","2742","","10.1039/c0ce00880j","","","0.71073","MoKα","","0.0594","0.0581","","","0.1241","0.1248","","","","","","1.225","","","","has coordinates,has disorder","244127","2020-10-21","18:00:00",""
"7238355","10.45","0.0014","19.688","0.004","13.83","0.002","90","","90.245","0.011","90","","2845.4","0.8","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C29 H25 Cu F6 N2 P2 S -","- C29 H25 Cu F6 N2 P2 S -","- C116 H100 Cu4 F24 N8 P8 S4 -","4","1","","Constable, Edwin C.; Housecroft, Catherine E.; Kopecky, Peter; Schönhofer, Ewald; Zampese, Jennifer A.","Restricting the geometrical relaxation in four-coordinate copper(i) complexes using face-to-face and edge-to-face π-interactions","CrystEngComm","2011","13","7","2742","","10.1039/c0ce00880j","","","0.71073","MoKα","","0.0365","0.0341","","","0.0826","0.084","","","","","","1.071","","","","has coordinates","244127","2020-10-21","18:00:00",""
"7238356","8.9997","0.0016","11.507","0.002","16.728","0.004","78.417","0.016","86.517","0.016","78.32","0.015","1661.6","0.6","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H27 Cl2 Cu F6 N2 P2 S -","- C32 H27 Cl2 Cu F6 N2 P2 S -","- C64 H54 Cl4 Cu2 F12 N4 P4 S2 -","2","1","","Constable, Edwin C.; Housecroft, Catherine E.; Kopecky, Peter; Schönhofer, Ewald; Zampese, Jennifer A.","Restricting the geometrical relaxation in four-coordinate copper(i) complexes using face-to-face and edge-to-face π-interactions","CrystEngComm","2011","13","7","2742","","10.1039/c0ce00880j","","","0.71073","MoKα","","0.0456","0.0365","","","0.0745","0.0776","","","","","","1.126","","","","has coordinates","244127","2020-10-21","18:00:00",""
"7238357","12.137","0.002","13.453","0.002","13.9427","0.0019","97.305","0.012","110.279","0.012","114.695","0.011","1838.7","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H34 Cu F6 P3 S2 -","- C38 H34 Cu F6 P3 S2 -","- C76 H68 Cu2 F12 P6 S4 -","2","1","","Constable, Edwin C.; Housecroft, Catherine E.; Kopecky, Peter; Schönhofer, Ewald; Zampese, Jennifer A.","Restricting the geometrical relaxation in four-coordinate copper(i) complexes using face-to-face and edge-to-face π-interactions","CrystEngComm","2011","13","7","2742","","10.1039/c0ce00880j","","","0.71073","MoKα","","0.0293","0.0284","","","0.0741","0.0746","","","","","","1.069","","","","has coordinates,has disorder","244127","2020-10-21","18:00:00",""
"7238358","10.5396","0.001","12.2287","0.001","13.3195","0.0011","104.793","0.007","102.457","0.007","105.796","0.007","1520.2","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H28 Cu F6 N4 P -","- C34 H28 Cu F6 N4 P -","- C68 H56 Cu2 F12 N8 P2 -","2","1","","Constable, Edwin C.; Housecroft, Catherine E.; Kopecky, Peter; Schönhofer, Ewald; Zampese, Jennifer A.","Restricting the geometrical relaxation in four-coordinate copper(i) complexes using face-to-face and edge-to-face π-interactions","CrystEngComm","2011","13","7","2742","","10.1039/c0ce00880j","","","0.71073","MoKα","","0.0408","0.0362","","","0.0841","0.0863","","","","","","1.115","","","","has coordinates,has disorder","244127","2020-10-21","18:00:00",""
"7238359","11.611","0.002","13.045","0.003","14.699","0.003","115.99","0.03","97.55","0.03","90.93","0.03","1977.1","0.9","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C77.5 H77 Cl3 Cu2 F12 N4 O P6 -","- C77.5 H77 Cl3 Cu2 F12 N4 O P6 -","- C77.5 H77 Cl3 Cu2 F12 N4 O P6 -","1","0.5","","Constable, Edwin C.; Housecroft, Catherine E.; Kopecky, Peter; Schönhofer, Ewald; Zampese, Jennifer A.","Restricting the geometrical relaxation in four-coordinate copper(i) complexes using face-to-face and edge-to-face π-interactions","CrystEngComm","2011","13","7","2742","","10.1039/c0ce00880j","","","0.71073","MoKα","","0.0454","0.043","","","0.1161","0.1179","","","","","","1.072","","","","has coordinates,has disorder","244127","2020-10-21","18:00:00",""
"7238360","11.5635","0.0017","13.0399","0.0017","15.119","0.002","112.413","0.01","98.097","0.011","91.294","0.011","2079.3","0.5","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C81 H76 Cl2 Cu2 F12 N4 O P6 -","- C81 H76 Cl2 Cu2 F12 N4 O P6 -","- C81 H76 Cl2 Cu2 F12 N4 O P6 -","1","0.5","","Constable, Edwin C.; Housecroft, Catherine E.; Kopecky, Peter; Schönhofer, Ewald; Zampese, Jennifer A.","Restricting the geometrical relaxation in four-coordinate copper(i) complexes using face-to-face and edge-to-face π-interactions","CrystEngComm","2011","13","7","2742","","10.1039/c0ce00880j","","","0.71073","MoKα","","0.0615","0.0515","","","0.126","0.1316","","","","","","1.138","","","","has coordinates,has disorder","244127","2020-10-21","18:00:00",""
"7238361","16.763","0.003","5.942","0.0012","30.238","0.006","90","","93.51","0.03","90","","3006.2","1","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H28 O2 P2 S2 -","- C36 H28 O2 P2 S2 -","- C144 H112 O8 P8 S8 -","4","0.5","","Constable, Edwin C.; Housecroft, Catherine E.; Kopecky, Peter; Schönhofer, Ewald; Zampese, Jennifer A.","Restricting the geometrical relaxation in four-coordinate copper(i) complexes using face-to-face and edge-to-face π-interactions","CrystEngComm","2011","13","7","2742","","10.1039/c0ce00880j","","","0.71073","MoKα","","0.0367","0.0328","","","0.0829","0.0854","","","","","","1.096","","","","has coordinates","244127","2020-10-21","18:00:00",""
"7238362","9.1889","0.0014","9.3069","0.0014","9.5114","0.0014","71.087","0.002","78.189","0.002","79.218","0.002","746.78","0.19","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C2 H14 N O14 S3 Tb -","- C2 H14 N O14 S3 Tb -","- C4 H28 N2 O28 S6 Tb2 -","2","1","","Zheng, Lei; Qiu, Xinmin; Xu, Yan; Fu, Jie; Yuan, Yan; Zhu, Dunru; Chen, Su","Second structural directing agent induces the formation of 1D organic templated terbium sulfate","CrystEngComm","2011","13","7","2714","","10.1039/c0ce00895h","","","0.71073","MoKα","","0.0287","0.0259","","","0.0796","0.0803","","","","","","1.474","","","","has coordinates","244128","2020-10-21","18:00:00",""
"7238363","20.6927","0.0015","36.783","0.003","10.1514","0.0008","90","","114.418","0.001","90","","7035.5","0.9","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H76 N9 O50 S12 Tb5 -","- C18 H64 N9 O50 S12 Tb5 -","- C72 H256 N36 O200 S48 Tb20 -","4","0.5","","Zheng, Lei; Qiu, Xinmin; Xu, Yan; Fu, Jie; Yuan, Yan; Zhu, Dunru; Chen, Su","Second structural directing agent induces the formation of 1D organic templated terbium sulfate","CrystEngComm","2011","13","7","2714","","10.1039/c0ce00895h","","","0.71073","MoKα","","0.0513","0.0456","","","0.1545","0.1599","","","","","","1.213","","","","has coordinates,has disorder","244128","2020-10-21","18:00:00",""
"7238364","9.657","0.006","12.577","0.008","13.693","0.009","70.382","0.007","85.214","0.007","73.171","0.007","1499.3","1.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H27 N6 O7 Zn -","- C30 H27 N6 O7 Zn -","- C60 H54 N12 O14 Zn2 -","2","1","","Liu, Wenlong; Yu, Jianghua; Jiang, Jiaxun; Yuan, Limin; Xu, Bin; Liu, Qiang; Qu, Botao; Zhang, Guoqing; Yan, Chaoguo","Hydrothermal syntheses, structures and luminescent properties of Zn(ii) coordination polymers assembled with benzene-1,2,3-tricarboxylic acid involving in situ ligand reactions","CrystEngComm","2011","13","7","2764","","10.1039/c0ce00950d","","","0.71073","MoKα","","0.0388","0.0354","","","0.1152","0.1185","","","","","","1.039","","","","has coordinates,has disorder","244129","2020-10-21","18:00:00",""
"7238365","7.785","0.002","9.037","0.002","17.055","0.004","102.021","0.003","96.298","0.003","100.567","0.003","1139.9","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 N4 O6 Zn -","- C24 H20 N4 O6 Zn -","- C48 H40 N8 O12 Zn2 -","2","1","","Liu, Wenlong; Yu, Jianghua; Jiang, Jiaxun; Yuan, Limin; Xu, Bin; Liu, Qiang; Qu, Botao; Zhang, Guoqing; Yan, Chaoguo","Hydrothermal syntheses, structures and luminescent properties of Zn(ii) coordination polymers assembled with benzene-1,2,3-tricarboxylic acid involving in situ ligand reactions","CrystEngComm","2011","13","7","2764","","10.1039/c0ce00950d","","","0.71073","MoKα","","0.0575","0.042","","","0.1058","0.1273","","","","","","1.057","","","","has coordinates","244129","2020-10-21","18:00:00",""
"7238366","20.92","0.003","9.4373","0.0013","22.981","0.003","90","","108.736","0.002","90","","4296.7","1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C76 H66 N8 O35 Zn6 -","- C76 H66 N8 O35 Zn6 -","- C152 H132 N16 O70 Zn12 -","2","0.25","","Liu, Wenlong; Yu, Jianghua; Jiang, Jiaxun; Yuan, Limin; Xu, Bin; Liu, Qiang; Qu, Botao; Zhang, Guoqing; Yan, Chaoguo","Hydrothermal syntheses, structures and luminescent properties of Zn(ii) coordination polymers assembled with benzene-1,2,3-tricarboxylic acid involving in situ ligand reactions","CrystEngComm","2011","13","7","2764","","10.1039/c0ce00950d","","","0.71073","MoKα","","0.1183","0.0768","","","0.2389","0.2692","","","","","","1.069","","","","has coordinates,has disorder","244129","2020-10-21","18:00:00",""
"7238367","10.5883","0.001","20.2922","0.0019","24.9206","0.0019","90","","111.197","0.003","90","","4992.2","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C96 H102 N24 O27 Zn6 -","- C96 H102 N24 O27 Zn6 -","- C192 H204 N48 O54 Zn12 -","2","0.5","","Liu, Wenlong; Yu, Jianghua; Jiang, Jiaxun; Yuan, Limin; Xu, Bin; Liu, Qiang; Qu, Botao; Zhang, Guoqing; Yan, Chaoguo","Hydrothermal syntheses, structures and luminescent properties of Zn(ii) coordination polymers assembled with benzene-1,2,3-tricarboxylic acid involving in situ ligand reactions","CrystEngComm","2011","13","7","2764","","10.1039/c0ce00950d","","","0.71073","MoKα","","0.0863","0.0463","","","0.0878","0.1049","","","","","","1.018","","","","has coordinates,has disorder","244129","2020-10-21","18:00:00",""
"7238368","10.0224","0.0008","19.0867","0.0015","17.2808","0.0011","90","","120.691","0.003","90","","2842.7","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 N6 O6 Zn -","- C28 H30 N6 O6 Zn -","- C112 H120 N24 O24 Zn4 -","4","1","","Liu, Wenlong; Yu, Jianghua; Jiang, Jiaxun; Yuan, Limin; Xu, Bin; Liu, Qiang; Qu, Botao; Zhang, Guoqing; Yan, Chaoguo","Hydrothermal syntheses, structures and luminescent properties of Zn(ii) coordination polymers assembled with benzene-1,2,3-tricarboxylic acid involving in situ ligand reactions","CrystEngComm","2011","13","7","2764","","10.1039/c0ce00950d","","","0.71073","MoKα","","0.0452","0.0357","","","0.0957","0.1027","","","","","","1.049","","","","has coordinates","244129","2020-10-21","18:00:00",""
"7238369","9.352","0.003","10.119","0.003","13.485","0.004","83.211","0.003","72.583","0.003","75.07","0.003","1175.3","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H20 N4 O8 Zn2 -","- C23 H20 N4 O8 Zn2 -","- C46 H40 N8 O16 Zn4 -","2","1","","Liu, Wenlong; Yu, Jianghua; Jiang, Jiaxun; Yuan, Limin; Xu, Bin; Liu, Qiang; Qu, Botao; Zhang, Guoqing; Yan, Chaoguo","Hydrothermal syntheses, structures and luminescent properties of Zn(ii) coordination polymers assembled with benzene-1,2,3-tricarboxylic acid involving in situ ligand reactions","CrystEngComm","2011","13","7","2764","","10.1039/c0ce00950d","","","0.71073","MoKα","","0.0647","0.0407","","","0.1112","0.135","","","","","","1.06","","","","has coordinates","244129","2020-10-21","18:00:00",""
"7238370","23.033","0.01","23.033","0.01","15.607","0.003","90","","90","","90","","8280","5","150","2","150","2","","","","","","","","8","I 41/a :2","-I 4ad","88","","","","- C56 H61 Mn Mo8 N16 O44 P V6 -","- C56 H56 Mn Mo8 N16 O44 P V6 -","- C224 H224 Mn4 Mo32 N64 O176 P4 V24 -","4","0.25","","Ding, Yan; Meng, Jing-Xin; Chen, Wei-Lin; Wang, En-Bo","Controllable assembly of four new POM-based supramolecular compounds by altering the POM secondary building units from pseudo-Keggin to classical Keggin","CrystEngComm","2011","13","7","2687","","10.1039/c0ce00967a","","","0.71073","MoKα","","0.0855","0.0609","","","0.1631","0.178","","","","","","1.07","","","","has coordinates","244130","2020-10-21","18:00:00",""
"7238371","22.921","0.003","22.921","0.003","15.642","0.003","90","","90","","90","","8218","2","150","2","150","2","","","","","","","","8","I 41/a :2","-I 4ad","88","","","","- C56 H60 Mo9 N16 O44 P V5 Zn -","- C56 H56 Mo9 N16 O44 P V5 Zn -","- C224 H224 Mo36 N64 O176 P4 V20 Zn4 -","4","0.25","","Ding, Yan; Meng, Jing-Xin; Chen, Wei-Lin; Wang, En-Bo","Controllable assembly of four new POM-based supramolecular compounds by altering the POM secondary building units from pseudo-Keggin to classical Keggin","CrystEngComm","2011","13","7","2687","","10.1039/c0ce00967a","","","0.71073","MoKα","","0.0392","0.0332","","","0.0839","0.0861","","","","","","1.05","","","","has coordinates,has disorder","244130","2020-10-21","18:00:00",""
"7238372","22.878","0.009","22.878","0.009","15.853","0.003","90","","90","","90","","8298","5","150","2","150","2","","","","","","","","8","I 41/a :2","-I 4ad","88","","","","- C56 H64 Cu Mo9 N16 O46 P V5 -","- C56 H56 Cu Mo9 N16 O46 P V5 -","- C224 H224 Cu4 Mo36 N64 O184 P4 V20 -","4","0.25","","Ding, Yan; Meng, Jing-Xin; Chen, Wei-Lin; Wang, En-Bo","Controllable assembly of four new POM-based supramolecular compounds by altering the POM secondary building units from pseudo-Keggin to classical Keggin","CrystEngComm","2011","13","7","2687","","10.1039/c0ce00967a","","","0.71073","MoKα","","0.0818","0.0534","","","0.1234","0.1369","","","","","","1.046","","","","has coordinates","244130","2020-10-21","18:00:00",""
"7238373","13.28","0.003","13.476","0.003","14.623","0.003","109.29","0.03","116.85","0.03","97.96","0.03","2071.2","1.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H64 Cu3 Mo12 N16 O44 P -","- C56 H56 Cu3 Mo12 N16 O44 P -","- C56 H56 Cu3 Mo12 N16 O44 P -","1","0.5","","Ding, Yan; Meng, Jing-Xin; Chen, Wei-Lin; Wang, En-Bo","Controllable assembly of four new POM-based supramolecular compounds by altering the POM secondary building units from pseudo-Keggin to classical Keggin","CrystEngComm","2011","13","7","2687","","10.1039/c0ce00967a","","","0.71073","MoKα","","0.0717","0.0657","","","0.1639","0.1665","","","","","","1.074","","","","has coordinates","244130","2020-10-21","18:00:00",""
"7238375","7.7752","0.0003","9.6284","0.0004","10.4511","0.0003","106.39","0.003","107.73","0.003","101.093","0.003","680.98","0.05","293","2","293","2","","","","","","","see text","5","P -1","-P 1","2","","","","- C11 H12 Cl2 N6 O -","- C11 H12 Cl2 N6 O -","- C22 H24 Cl4 N12 O2 -","2","1","","Chadha, Renu; Saini, Anupam; Arora, Poonam; Jain, Dharamvir Singh; Dasgupta, Archi; Guru Row, T. N.","Multicomponent solids of lamotrigine with some selected coformers and their characterization by thermoanalytical, spectroscopic and X-ray diffraction methods","CrystEngComm","2011","13","20","6271","","10.1039/c1ce05458a","","x-ray","0.71073","MoKα","","0.0587","0.0546","","","0.159","0.1628","","","","","","0.894","","","","has coordinates","244143","2020-10-21","18:00:00",""
"7238376","15.5808","0.001","9.689","0.0006","11.1057","0.0007","90","","91.312","0.003","90","","1676.1","0.18","90","2","90","2","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 Cl2 N5 O3 -","- C16 H13 Cl2 N5 O3 -","- C64 H52 Cl8 N20 O12 -","4","1","","Chadha, Renu; Saini, Anupam; Arora, Poonam; Jain, Dharamvir Singh; Dasgupta, Archi; Guru Row, T. N.","Multicomponent solids of lamotrigine with some selected coformers and their characterization by thermoanalytical, spectroscopic and X-ray diffraction methods","CrystEngComm","2011","13","20","6271","","10.1039/c1ce05458a","","x-ray","0.71073","MoKα","","0.0494","0.0371","","","0.0872","0.0913","","","","","","1.041","","","","has coordinates","244143","2020-10-21","18:00:00",""
"7238377","7.0795","0.0003","17.7124","0.0007","15.9227","0.0007","90","","94.618","0.002","90","","1990.14","0.14","90","2","90","2","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 Cl2 N5 O6 -","- C15 H19 Cl2 N5 O6 -","- C60 H76 Cl8 N20 O24 -","4","1","","Chadha, Renu; Saini, Anupam; Arora, Poonam; Jain, Dharamvir Singh; Dasgupta, Archi; Guru Row, T. N.","Multicomponent solids of lamotrigine with some selected coformers and their characterization by thermoanalytical, spectroscopic and X-ray diffraction methods","CrystEngComm","2011","13","20","6271","","10.1039/c1ce05458a","","x-ray","0.71073","MoKα","","0.0388","0.0301","","","0.0747","0.0775","","","","","","1.067","","","","has coordinates","244143","2020-10-21","18:00:00",""
"7238484","8.4026","0.0012","8.5005","0.0011","11.1893","0.0016","94.214","0.011","93.028","0.011","106.597","0.018","761.6","0.2","153","2","153","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C12 H12 Co N2 O6 V2 -","- C12 H12 Co N2 O6 V2 -","- C24 H24 Co2 N4 O12 V4 -","2","1","","Fernández de Luis, Roberto; Urtiaga, M. Karmele; Mesa, José L.; Larrea, Edurne S.; Rojo, Teófilo; Arriortua, María I.","Compositional space diagrams and crystallization sequences in M/Bpa/NaVO3 (M = Ni, Co) systems. Physical properties of [{Ni(H2O)(Bpa)}(VO3)2]·2H2O and {Co(Bpa)}(VO3)2 3D hybrid vanadates","CrystEngComm","2012","14","20","6921","","10.1039/c2ce25426c","","","0.71073","MoKα","","0.0583","0.0293","","","0.0545","0.0603","","","","","","0.851","","","","has coordinates","244190","2020-10-21","18:00:00",""
"7238485","28.258","0.005","9.612","0.005","14.579","0.005","90","0.005","110.191","0.005","90","0.005","3717","2","293","2","293","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H18 N2 Ni O9 V2 -","- C12 H14 N2 Ni O9 V2 -","- C96 H112 N16 Ni8 O72 V16 -","8","1","","Fernández de Luis, Roberto; Urtiaga, M. Karmele; Mesa, José L.; Larrea, Edurne S.; Rojo, Teófilo; Arriortua, María I.","Compositional space diagrams and crystallization sequences in M/Bpa/NaVO3 (M = Ni, Co) systems. Physical properties of [{Ni(H2O)(Bpa)}(VO3)2]·2H2O and {Co(Bpa)}(VO3)2 3D hybrid vanadates","CrystEngComm","2012","14","20","6921","","10.1039/c2ce25426c","","","0.71073","MoKα","","0.0824","0.0389","","","0.0678","0.0768","","","","","","0.709","","","","has coordinates,has disorder","244190","2020-10-21","18:00:00",""
"7238486","23.9581","0.0009","23.9581","0.0009","29.2285","0.0014","90","","90","","120","","14529.2","1","296","2","296","2","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C83 H123 N13 O20 Zn -","- C45 O8 Zn -","- C270 O48 Zn6 -","6","0.5","","Han, Zheng-Bo; Liang, Yan-Fang; Zhou, Ming; Zhang, Ya-Ru; Li, Li; Tong, Jian","Two chiral Zn(ii) metal‒organic frameworks with dinuclear Zn2(COO)3 secondary building units: a 2-D (6,3) net and a 3-D 3-fold interpenetrating (3,5)-connected network","CrystEngComm","2012","14","20","6952","","10.1039/c2ce25430a","","","0.71073","MoKα","","0.1937","0.0752","","","0.1767","0.1836","","","","","","1.017","","","","has coordinates","244191","2020-10-21","18:00:00",""
"7238487","23.965","0.003","23.965","0.003","26.192","0.006","90","","90","","120","","13027","4","296","2","296","2","","","","","","","","5","P 61","P 61","169","","","","- C85 H110 N12 O20 Zn2 -","- C53 N O10 Zn2 -","- C318 N6 O60 Zn12 -","6","1","","Han, Zheng-Bo; Liang, Yan-Fang; Zhou, Ming; Zhang, Ya-Ru; Li, Li; Tong, Jian","Two chiral Zn(ii) metal‒organic frameworks with dinuclear Zn2(COO)3 secondary building units: a 2-D (6,3) net and a 3-D 3-fold interpenetrating (3,5)-connected network","CrystEngComm","2012","14","20","6952","","10.1039/c2ce25430a","","","0.71073","MoKα","","0.0832","0.0739","","","0.1947","0.2012","","","","","","1.064","","","","has coordinates","244191","2020-10-21","18:00:00",""
"7238488","7.5043","0.0018","20.894","0.005","7.5043","0.0018","90","","90.58","","90","","1176.6","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 N2 O6 -","- C11 H12 N2 O6 -","- C44 H48 N8 O24 -","4","1","","Wang, Lei; Zhao, Lei; Xu, Lingyan; Chen, Ruixin; Yang, Yu","Interesting organic supramolecular structures constructed by piperazine/N,N′-dimethylpiperazine with aromatic multicomponent acids: synthon cooperation and structural diversity","CrystEngComm","2012","14","20","6998","","10.1039/c2ce25627d","","","0.71073","MoKα","","0.0486","0.0442","","","0.1182","0.1228","","","","","","1.05","","","","has coordinates","244193","2020-10-21","18:00:00",""
"7238489","6.5078","0.0011","19.897","0.002","10.9177","0.0018","90","","90","","90","","1413.7","0.4","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H17 N3 O7 -","- C12 H17 N3 O7 -","- C48 H68 N12 O28 -","4","1","","Wang, Lei; Zhao, Lei; Xu, Lingyan; Chen, Ruixin; Yang, Yu","Interesting organic supramolecular structures constructed by piperazine/N,N′-dimethylpiperazine with aromatic multicomponent acids: synthon cooperation and structural diversity","CrystEngComm","2012","14","20","6998","","10.1039/c2ce25627d","","","0.71073","MoKα","","0.043","0.0368","","","0.0844","0.0887","","","","","","1.044","","","","has coordinates","244193","2020-10-21","18:00:00",""
"7238490","10.3173","0.0014","7.4516","0.0012","26.221","0.004","90","","90","","90","","2015.9","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H11 N O4 -","- C10 H11 N O4 -","- C80 H88 N8 O32 -","8","1","","Wang, Lei; Zhao, Lei; Xu, Lingyan; Chen, Ruixin; Yang, Yu","Interesting organic supramolecular structures constructed by piperazine/N,N′-dimethylpiperazine with aromatic multicomponent acids: synthon cooperation and structural diversity","CrystEngComm","2012","14","20","6998","","10.1039/c2ce25627d","","","0.71073","MoKα","","0.0712","0.053","","","0.1177","0.127","","","","","","1.046","","","","has coordinates","244193","2020-10-21","18:00:00",""
"7238491","8.4396","0.0014","8.5941","0.0015","8.9356","0.0015","88.535","0.004","84.804","0.004","66.083","0.004","589.98","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H15 N O6 -","- C11 H15 N O6 -","- C22 H30 N2 O12 -","2","1","","Wang, Lei; Zhao, Lei; Xu, Lingyan; Chen, Ruixin; Yang, Yu","Interesting organic supramolecular structures constructed by piperazine/N,N′-dimethylpiperazine with aromatic multicomponent acids: synthon cooperation and structural diversity","CrystEngComm","2012","14","20","6998","","10.1039/c2ce25627d","","","0.71073","MoKα","","0.0552","0.0487","","","0.1279","0.1344","","","","","","1.054","","","","has coordinates","244193","2020-10-21","18:00:00",""
"7238492","12.0146","0.0009","9.6205","0.0007","11.997","0.0009","90","","114.803","0.001","90","","1258.78","0.16","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H4 N2 O5 -","- C12 H16 N2 O5 -","- C48 H64 N8 O20 -","4","1","","Wang, Lei; Zhao, Lei; Xu, Lingyan; Chen, Ruixin; Yang, Yu","Interesting organic supramolecular structures constructed by piperazine/N,N′-dimethylpiperazine with aromatic multicomponent acids: synthon cooperation and structural diversity","CrystEngComm","2012","14","20","6998","","10.1039/c2ce25627d","","","0.71073","MoKα","","0.0833","0.0782","","","0.2502","0.2579","","","","","","1.057","","","","has coordinates","244193","2020-10-21","18:00:00",""
"7238493","12.941","0.003","11.979","0.002","7.0729","0.0012","90","","102.278","0.004","90","","1071.4","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 N2 O8 -","- C22 H26 N2 O8 -","- C44 H52 N4 O16 -","2","0.5","","Wang, Lei; Zhao, Lei; Xu, Lingyan; Chen, Ruixin; Yang, Yu","Interesting organic supramolecular structures constructed by piperazine/N,N′-dimethylpiperazine with aromatic multicomponent acids: synthon cooperation and structural diversity","CrystEngComm","2012","14","20","6998","","10.1039/c2ce25627d","","","0.71073","MoKα","","0.0796","0.0541","","","0.1478","0.1678","","","","","","1.033","","","","has coordinates","244193","2020-10-21","18:00:00",""
"7238494","14.95","0.002","7.5242","0.0015","16.563","0.003","90","","92.834","0.002","90","","1860.8","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 N O6 -","- C19 H23 N O6 -","- C76 H92 N4 O24 -","4","1","","Wang, Lei; Zhao, Lei; Xu, Lingyan; Chen, Ruixin; Yang, Yu","Interesting organic supramolecular structures constructed by piperazine/N,N′-dimethylpiperazine with aromatic multicomponent acids: synthon cooperation and structural diversity","CrystEngComm","2012","14","20","6998","","10.1039/c2ce25627d","","","0.71073","MoKα","","0.082","0.0622","","","0.1836","0.2038","","","","","","1.038","","","","has coordinates","244193","2020-10-21","18:00:00",""
"7238495","10.875","0.004","13.254","0.003","14.054","0.003","90","","109.04","0.04","90","","1914.9","1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 N O3 -","- C10 H10 N O3 -","- C80 H80 N8 O24 -","8","1","","Luo, Yang-Hui; Zhang, Chen-Guang; Xu, Bing; Sun, Bai-Wang","A cocrystal strategy for the precipitation of liquid 2,3-dimethyl pyrazine with hydroxyl substituted benzoic acid and a Hirshfeld surfaces analysis of them","CrystEngComm","2012","14","20","6860","","10.1039/c2ce25767j","","","0.71073","MoKα","","0.1779","0.077","","","0.1543","0.2005","","","","","","1.002","","","","has coordinates","244194","2020-10-21","18:00:00",""
"7238496","7.2391","0.0014","8.013","0.0016","13.094","0.003","106.01","0.03","102.96","0.03","94.23","0.03","704","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H16 N2 O4 -","- C13 H16 N2 O4 -","- C26 H32 N4 O8 -","2","1","","Luo, Yang-Hui; Zhang, Chen-Guang; Xu, Bing; Sun, Bai-Wang","A cocrystal strategy for the precipitation of liquid 2,3-dimethyl pyrazine with hydroxyl substituted benzoic acid and a Hirshfeld surfaces analysis of them","CrystEngComm","2012","14","20","6860","","10.1039/c2ce25767j","","","0.71073","MoKα","","0.1462","0.0881","","","0.2044","0.2523","","","","","","1.019","","","","has coordinates","244194","2020-10-21","18:00:00",""
"7238497","13.15","0.003","13.022","0.003","7.241","0.0014","90","","90","","90","","1239.9","0.5","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C52 H56 N8 O12 -","4","1","","Luo, Yang-Hui; Zhang, Chen-Guang; Xu, Bing; Sun, Bai-Wang","A cocrystal strategy for the precipitation of liquid 2,3-dimethyl pyrazine with hydroxyl substituted benzoic acid and a Hirshfeld surfaces analysis of them","CrystEngComm","2012","14","20","6860","","10.1039/c2ce25767j","","","0.71073","MoKα","","0.1216","0.0607","","","0.1158","0.1395","","","","","","1.02","","","","has coordinates","244194","2020-10-21","18:00:00",""
"7238498","10.446","0.002","7.5939","0.0015","30.513","0.006","90","","99","0.03","90","","2390.7","0.8","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H32 Co3 N8 O32 Sm2 -","- C40 H32 Co3 N8 O32 Sm2 -","- C80 H64 Co6 N16 O64 Sm4 -","2","0.5","","Xu, Hong-Yu; Zhao, Fang-Hua; Che, Yun-Xia; Zheng, Ji-Min","Three 3d‒4f heterometallic complexes constructed from oxalic acid and benzimidazole-5,6-dicarboxylic acid","CrystEngComm","2012","14","20","6869","","10.1039/c2ce25859e","","","0.71073","MoKα","","0.0679","0.0554","","","0.1365","0.1436","","","","","","1.04","","","","has coordinates","244195","2020-10-21","18:00:00",""
"7238499","10.477","0.002","7.6575","0.0015","30.456","0.006","90","","99.06","0.03","90","","2412.9","0.8","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H32 Co3 N8 O32 Pr2 -","- C40 H32 Co3 N8 O32 Pr2 -","- C80 H64 Co6 N16 O64 Pr4 -","2","0.5","","Xu, Hong-Yu; Zhao, Fang-Hua; Che, Yun-Xia; Zheng, Ji-Min","Three 3d‒4f heterometallic complexes constructed from oxalic acid and benzimidazole-5,6-dicarboxylic acid","CrystEngComm","2012","14","20","6869","","10.1039/c2ce25859e","","","0.71073","MoKα","","0.0346","0.0312","","","0.0738","0.0758","","","","","","1.04","","","","has coordinates","244195","2020-10-21","18:00:00",""
"7238500","10.467","0.002","7.6374","0.0015","30.492","0.006","90","","99.05","0.03","90","","2407.2","0.8","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H32 Co3 N8 Nd2 O32 -","- C40 H32 Co3 N8 Nd2 O32 -","- C80 H64 Co6 N16 Nd4 O64 -","2","0.5","","Xu, Hong-Yu; Zhao, Fang-Hua; Che, Yun-Xia; Zheng, Ji-Min","Three 3d‒4f heterometallic complexes constructed from oxalic acid and benzimidazole-5,6-dicarboxylic acid","CrystEngComm","2012","14","20","6869","","10.1039/c2ce25859e","","","0.71073","MoKα","","0.0319","0.0285","","","0.0688","0.0707","","","","","","1.027","","","","has coordinates","244195","2020-10-21","18:00:00",""
"7238501","9.66","0.009","9.651","0.009","13.59","0.012","90","","128.17","0.05","90","","996.1","1.7","298","2","298","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","1,8-Bis(4-hydroxysalicylaldiminato)-3,6-diazaoctane) -iron(iii) chloride","","- C20 H24 Cl Fe N4 O4 -","- C20 H24 Cl Fe N4 O4 -","- C40 H48 Cl2 Fe2 N8 O8 -","2","0.5","","Nemec, Ivan; Herchel, Radovan; Šalitroš, Ivan; Trávníček, Zdeněk; Moncoľ, Ján; Fuess, Hartmut; Ruben, Mario; Linert, Wolfgang","Anion driven modulation of magnetic intermolecular interactions and spin crossover properties in an isomorphous series of mononuclear iron(iii) complexes with a hexadentate Schiff base ligand","CrystEngComm","2012","14","20","7015","","10.1039/c2ce25862e","","","0.71073","MoKα","","0.057","0.0306","","","0.0604","0.0657","","","","","","0.98","","","","has coordinates","244196","2020-10-21","18:00:00",""
"7238502","9.9131","0.0004","9.6378","0.0004","13.735","0.0007","90","","129.198","0.003","90","","1016.95","0.09","298","2","298","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","1,8-Bis(4-hydroxysalicylaldiminato)-3,6-diazaoctane) -iron(iii) chloride","","- C20 H24 Br Fe N4 O4 -","- C20 H24 Br Fe N4 O4 -","- C40 H48 Br2 Fe2 N8 O8 -","2","0.5","","Nemec, Ivan; Herchel, Radovan; Šalitroš, Ivan; Trávníček, Zdeněk; Moncoľ, Ján; Fuess, Hartmut; Ruben, Mario; Linert, Wolfgang","Anion driven modulation of magnetic intermolecular interactions and spin crossover properties in an isomorphous series of mononuclear iron(iii) complexes with a hexadentate Schiff base ligand","CrystEngComm","2012","14","20","7015","","10.1039/c2ce25862e","","","0.71073","MoKα","","0.0416","0.0297","","","0.0774","0.08","","","","","","1.036","","","","has coordinates","244196","2020-10-21","18:00:00",""
"7238503","10.168","0.003","9.68","0.003","13.871","0.004","90","","130.17","0.02","90","","1043.2","0.6","160","2","160","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","1,8-Bis(4-hydroxysalicylaldiminato)-3,6-diazaoctane) -iron(iii) iodide","","- C20 H24 Fe I N4 O4 -","- C20 H24 Fe I N4 O4 -","- C40 H48 Fe2 I2 N8 O8 -","2","0.5","","Nemec, Ivan; Herchel, Radovan; Šalitroš, Ivan; Trávníček, Zdeněk; Moncoľ, Ján; Fuess, Hartmut; Ruben, Mario; Linert, Wolfgang","Anion driven modulation of magnetic intermolecular interactions and spin crossover properties in an isomorphous series of mononuclear iron(iii) complexes with a hexadentate Schiff base ligand","CrystEngComm","2012","14","20","7015","","10.1039/c2ce25862e","","","0.71073","MoKα","","0.083","0.062","","","0.154","0.1624","","","","","","1.107","","","","has coordinates","244196","2020-10-21","18:00:00",""
"7238504","36.256","0.004","54.989","0.005","16.0501","0.0014","90","","90","","90","","31999","5","223","2","223","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C50 H103 Cl2 La N21 O34.5 -","- C50 H60 Cl2 La N20 O13 -","- C800 H960 Cl32 La16 N320 O208 -","16","1","","Liu, Jing-Xin; Hu, Ying-Feng; Lin, Rui-Lian; Sun, Wen-Qi; Chu, Xiang-Feng; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu","Coordination complexes based on pentacyclohexanocucurbit[5]uril and lanthanide(iii) ions: lanthanide contraction effect induced structural variation","CrystEngComm","2012","14","20","6983","","10.1039/c2ce25866h","","","0.71073","MoKα","","0.0759","0.0744","","","0.1931","0.1945","","","","","","1.012","","","","has coordinates","244197","2020-10-21","18:00:00",""
"7238505","14.7746","0.0011","20.9988","0.0014","26.1823","0.0018","100.806","0.003","98.196","0.003","94.875","0.003","7845.2","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C100 H117 Cl2 Dy4 N40 O36 -","- C100 H117 Cl2 Dy4 N40 O36 -","- C200 H234 Cl4 Dy8 N80 O72 -","2","1","","Liu, Jing-Xin; Hu, Ying-Feng; Lin, Rui-Lian; Sun, Wen-Qi; Chu, Xiang-Feng; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu","Coordination complexes based on pentacyclohexanocucurbit[5]uril and lanthanide(iii) ions: lanthanide contraction effect induced structural variation","CrystEngComm","2012","14","20","6983","","10.1039/c2ce25866h","","","0.71073","MoKα","","0.067","0.044","","","0.0855","0.0904","","","","","","1.03","","","","has coordinates","244197","2020-10-21","18:00:00",""
"7238506","26.288","0.011","28.856","0.012","20.917","0.009","90","","100.996","0.005","90","","15576","11","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H100 Cl6 Er2 N20 O30 -","- C50 H60 Cl2 Er2 N20 O17 -","- C400 H480 Cl16 Er16 N160 O136 -","8","2","","Liu, Jing-Xin; Hu, Ying-Feng; Lin, Rui-Lian; Sun, Wen-Qi; Chu, Xiang-Feng; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu","Coordination complexes based on pentacyclohexanocucurbit[5]uril and lanthanide(iii) ions: lanthanide contraction effect induced structural variation","CrystEngComm","2012","14","20","6983","","10.1039/c2ce25866h","","","0.71073","MoKα","","0.122","0.0679","","","0.1533","0.1688","","","","","","1.025","","","","has coordinates","244197","2020-10-21","18:00:00",""
"7238507","26.324","0.007","28.868","0.007","20.957","0.005","90","","100.9","0.003","90","","15638","7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H100 Cl6 Ho2 N20 O30 -","- C50 H60 Cl2 Ho2 N20 O17 -","- C400 H480 Cl16 Ho16 N160 O136 -","8","2","","Liu, Jing-Xin; Hu, Ying-Feng; Lin, Rui-Lian; Sun, Wen-Qi; Chu, Xiang-Feng; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu","Coordination complexes based on pentacyclohexanocucurbit[5]uril and lanthanide(iii) ions: lanthanide contraction effect induced structural variation","CrystEngComm","2012","14","20","6983","","10.1039/c2ce25866h","","","0.71073","MoKα","","0.1415","0.0862","","","0.165","0.1857","","","","","","1.003","","","","has coordinates","244197","2020-10-21","18:00:00",""
"7238508","26.971","0.004","18.358","0.003","30.331","0.007","90","","114.565","0.002","90","","13659","4","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H92 Cl2 N21 Nd O29 -","- C50 H60 Cl2 N20 Nd O12 -","- C400 H480 Cl16 N160 Nd8 O96 -","8","1","","Liu, Jing-Xin; Hu, Ying-Feng; Lin, Rui-Lian; Sun, Wen-Qi; Chu, Xiang-Feng; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu","Coordination complexes based on pentacyclohexanocucurbit[5]uril and lanthanide(iii) ions: lanthanide contraction effect induced structural variation","CrystEngComm","2012","14","20","6983","","10.1039/c2ce25866h","","","0.71073","MoKα","","0.0931","0.0762","","","0.2158","0.2296","","","","","","1.03","","","","has coordinates","244197","2020-10-21","18:00:00",""
"7238509","35.89","0.008","55.191","0.012","16.106","0.004","90","","90","","90","","31903","13","296","2","296","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C50 H103 Cl2 N21 O34.5 Pr -","- C50 H60 Cl2 N20 O13 Pr -","- C800 H960 Cl32 N320 O208 Pr16 -","16","1","","Liu, Jing-Xin; Hu, Ying-Feng; Lin, Rui-Lian; Sun, Wen-Qi; Chu, Xiang-Feng; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu","Coordination complexes based on pentacyclohexanocucurbit[5]uril and lanthanide(iii) ions: lanthanide contraction effect induced structural variation","CrystEngComm","2012","14","20","6983","","10.1039/c2ce25866h","","","0.71073","MoKα","","0.0647","0.0593","","","0.1528","0.157","","","","","","1.01","","","","has coordinates","244197","2020-10-21","18:00:00",""
"7238510","27.1046","0.0013","18.3417","0.0009","30.4416","0.0015","90","","114.564","0.002","90","","13764.2","1.2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H92 Cl2 N21 O29 Sm -","- C50 H60 Cl2 N20 O12 Sm -","- C400 H480 Cl16 N160 O96 Sm8 -","8","1","","Liu, Jing-Xin; Hu, Ying-Feng; Lin, Rui-Lian; Sun, Wen-Qi; Chu, Xiang-Feng; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu","Coordination complexes based on pentacyclohexanocucurbit[5]uril and lanthanide(iii) ions: lanthanide contraction effect induced structural variation","CrystEngComm","2012","14","20","6983","","10.1039/c2ce25866h","","","0.71073","MoKα","","0.0704","0.0533","","","0.1452","0.1538","","","","","","1.002","","","","has coordinates","244197","2020-10-21","18:00:00",""
"7238511","35.869","0.015","55.15","0.02","16.021","0.006","90","","90","","90","","31692","2","296","2","296","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C50 H103 Ce Cl2 N21 O34.5 -","- C50 H57 Ce Cl2 N20 O13 -","- C800 H912 Ce16 Cl32 N320 O208 -","16","1","","Liu, Jing-Xin; Hu, Ying-Feng; Lin, Rui-Lian; Sun, Wen-Qi; Chu, Xiang-Feng; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu","Coordination complexes based on pentacyclohexanocucurbit[5]uril and lanthanide(iii) ions: lanthanide contraction effect induced structural variation","CrystEngComm","2012","14","20","6983","","10.1039/c2ce25866h","","","0.71073","MoKα","","0.109","0.0793","","","0.1874","0.2014","","","","","","1.002","","","","has coordinates","244197","2020-10-21","18:00:00",""
"7238512","11.06","0.03","16.45","0.04","10.99","0.04","90","","111.4","0.2","90","","1862","10","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","EDO-TTF-U","","","- C16 H16 N2 O4 S4 -","- C16 H16 N2 O4 S4 -","- C64 H64 N8 O16 S16 -","4","1","","Murata, Tsuyoshi; Umemoto, Yoshikazu; Miyazaki, Eigo; Nakasuji, Kazuhiro; Morita, Yasushi","Modulation of charge-transfer complexes assisted by complementary hydrogen bonds of nucleobases: TCNQ complexes of a uracil-substituted EDO-TTF","CrystEngComm","2012","14","20","6881","","10.1039/c2ce25889g","","","0.71075","MoKα","","0.181","0.0994","","","0.2333","0.341","","","","","","0.928","","","","has coordinates","244198","2020-10-21","18:00:00",""
"7238513","7.2485","0.0013","10.373","0.002","16.028","0.003","89.459","0.009","77.009","0.007","79.014","0.008","1152.1","0.4","93","2","93","2","","","","","","","","5","P -1","-P 1","2","(EDO-TTF-U)2(TCNQ)","","","- C44 H36 N8 O8 S8 -","- C44 H36 N8 O8 S8 -","- C44 H36 N8 O8 S8 -","1","0.5","","Murata, Tsuyoshi; Umemoto, Yoshikazu; Miyazaki, Eigo; Nakasuji, Kazuhiro; Morita, Yasushi","Modulation of charge-transfer complexes assisted by complementary hydrogen bonds of nucleobases: TCNQ complexes of a uracil-substituted EDO-TTF","CrystEngComm","2012","14","20","6881","","10.1039/c2ce25889g","","","0.7107","MoKα","","0.0765","0.0447","","","0.1074","0.177","","","","","","0.984","","","","has coordinates","244198","2020-10-21","18:00:00",""
"7238514","12.3811","0.0005","12.3811","0.0005","41.398","0.003","90","","90","","120","","5495.8","0.5","293","2","293","2","","","","","","","","7","R 3 :H","R 3","146","(Co(N4C6H18)(H2O))3V15Sb6O42(H2O)H2O","","","- C18 H58 Co3 N12 O47 Sb6 V15 -","- C18 H54 Co3 N12 O47.6 Sb6 V15 -","- C54 H162 Co9 N36 O142.8 Sb18 V45 -","3","0.333333","","Antonova, Elena; Näther, Christian; Bensch, Wolfgang","Assembly of [V15Sb6O42(H2O)]6− cluster shells into higher dimensional aggregates via weak Sb⋯N/Sb⋯O intercluster interactions and a new polyoxovanadate with a discrete [V16Sb4O42(H2O)]8− cluster shell","CrystEngComm","2012","14","20","6853","","10.1039/c2ce25896j","","","0.71073","MoKα","","0.0355","0.0301","","","0.0703","0.0724","","","","","","0.996","","","","has coordinates","244199","2020-10-21","18:00:00",""
"7238515","27.8795","0.0011","22.9567","0.0009","32.2932","0.0013","90","","113.717","0.004","90","","18922.8","1.4","170","2","170","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C62 H214 Co6 N42 O97 Sb12 V30 -","- C62 H188 Co6 N42 O97 Sb12 V30 -","- C248 H752 Co24 N168 O388 Sb48 V120 -","4","1","","Antonova, Elena; Näther, Christian; Bensch, Wolfgang","Assembly of [V15Sb6O42(H2O)]6− cluster shells into higher dimensional aggregates via weak Sb⋯N/Sb⋯O intercluster interactions and a new polyoxovanadate with a discrete [V16Sb4O42(H2O)]8− cluster shell","CrystEngComm","2012","14","20","6853","","10.1039/c2ce25896j","","","0.71073","MoKα","","0.073","0.047","","","0.1198","0.1315","","","","","","0.966","","","","has coordinates","244199","2020-10-21","18:00:00",""
"7238516","30.601","0.006","13.901","0.003","23.093","0.005","90","","128.1","0.03","90","","7730","4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H90 Co2 N16 O49 Sb4 V16 -","- C24 H76 Co2 N16 O49 Sb4 V16 -","- C96 H304 Co8 N64 O196 Sb16 V64 -","4","0.5","","Antonova, Elena; Näther, Christian; Bensch, Wolfgang","Assembly of [V15Sb6O42(H2O)]6− cluster shells into higher dimensional aggregates via weak Sb⋯N/Sb⋯O intercluster interactions and a new polyoxovanadate with a discrete [V16Sb4O42(H2O)]8− cluster shell","CrystEngComm","2012","14","20","6853","","10.1039/c2ce25896j","","","0.71073","MoKα","","0.0414","0.0314","","","0.0608","0.0634","","","","","","1.1","","","","has coordinates","244199","2020-10-21","18:00:00",""
"7238517","8.9771","0.0006","11.0283","0.0007","12.0901","0.0006","74.718","0.005","85","0.005","81.608","0.006","1140.77","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H18 N8 O5 Zn -","- C23 H18 N8 O5 Zn -","- C46 H36 N16 O10 Zn2 -","2","1","","Kan, Wei-Qiu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Effect of organic anions on the self-assembly of Zn(ii)-containing coordination polymers based on trigonal N-donor ligands","CrystEngComm","2012","14","20","6934","","10.1039/c2ce25907a","","","0.71069","MoKα","","0.0563","0.0418","","","0.0838","0.0925","","","","","","1.057","","","","has coordinates","244200","2020-10-21","18:00:00",""
"7238518","22.1231","0.001","12.5698","0.0004","18.1222","0.0007","90","","109.511","0.005","90","","4750.1","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H16 N8 O4 Zn -","- C23 H16 N8 O4 Zn -","- C184 H128 N64 O32 Zn8 -","8","1","","Kan, Wei-Qiu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Effect of organic anions on the self-assembly of Zn(ii)-containing coordination polymers based on trigonal N-donor ligands","CrystEngComm","2012","14","20","6934","","10.1039/c2ce25907a","","","0.71069","MoKα","","0.0559","0.036","","","0.0745","0.0816","","","","","","1.026","","","","has coordinates","244200","2020-10-21","18:00:00",""
"7238519","10.817","0.0005","11.0298","0.0007","11.3773","0.0006","114.656","0.006","104.715","0.004","95.911","0.005","1159","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H18 N8 O5 Zn -","- C23 H18 N8 O5 Zn -","- C46 H36 N16 O10 Zn2 -","2","1","","Kan, Wei-Qiu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Effect of organic anions on the self-assembly of Zn(ii)-containing coordination polymers based on trigonal N-donor ligands","CrystEngComm","2012","14","20","6934","","10.1039/c2ce25907a","","","0.71069","MoKα","","0.0627","0.0469","","","0.1096","0.1192","","","","","","1.036","","","","has coordinates","244200","2020-10-21","18:00:00",""
"7238520","25.9785","0.0007","10.1939","0.0002","19.4052","0.0005","90","","101.07","0.003","90","","5043.3","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H17 N8 O7.5 Zn2 -","- C24 H16 N8 O7.5 Zn2 -","- C192 H128 N64 O60 Zn16 -","8","1","","Kan, Wei-Qiu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Effect of organic anions on the self-assembly of Zn(ii)-containing coordination polymers based on trigonal N-donor ligands","CrystEngComm","2012","14","20","6934","","10.1039/c2ce25907a","","","0.71069","MoKα","","0.0555","0.0432","","","0.1039","0.1114","","","","","","1.026","","","","has coordinates","244200","2020-10-21","18:00:00",""
"7238521","11.8534","0.0005","15.0975","0.0005","12.565","0.0005","90","","111.268","0.005","90","","2095.45","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N8 O6 Zn -","- C20 H17 N8 O6 Zn -","- C80 H68 N32 O24 Zn4 -","4","1","","Kan, Wei-Qiu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Effect of organic anions on the self-assembly of Zn(ii)-containing coordination polymers based on trigonal N-donor ligands","CrystEngComm","2012","14","20","6934","","10.1039/c2ce25907a","","","0.71069","MoKα","","0.0556","0.0414","","","0.1053","0.1157","","","","","","1.041","","","","has coordinates","244200","2020-10-21","18:00:00",""
"7238522","9.7186","0.0005","11.4928","0.0006","11.6881","0.0006","63.618","0.005","80.197","0.005","81.893","0.004","1149.28","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H18 N8 O5 Zn -","- C23 H18 N8 O5 Zn -","- C46 H36 N16 O10 Zn2 -","2","1","","Kan, Wei-Qiu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Effect of organic anions on the self-assembly of Zn(ii)-containing coordination polymers based on trigonal N-donor ligands","CrystEngComm","2012","14","20","6934","","10.1039/c2ce25907a","","","0.71069","MoKα","","0.0881","0.0565","","","0.1093","0.1252","","","","","","1.016","","","","has coordinates","244200","2020-10-21","18:00:00",""
"7238523","9.8552","0.0003","23.1468","0.0008","10.2245","0.0004","90","","98.033","0.003","90","","2309.49","0.14","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 N8 O6 Zn -","- C23 H20 N8 O6 Zn -","- C92 H80 N32 O24 Zn4 -","4","1","","Kan, Wei-Qiu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Effect of organic anions on the self-assembly of Zn(ii)-containing coordination polymers based on trigonal N-donor ligands","CrystEngComm","2012","14","20","6934","","10.1039/c2ce25907a","","","0.71069","MoKα","","0.0767","0.0474","","","0.0804","0.0897","","","","","","1.015","","","","has coordinates","244200","2020-10-21","18:00:00",""
"7238524","25.5723","0.0013","10.2646","0.0003","20.2916","0.0009","90","","112.618","0.006","90","","4916.7","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 N8 O8 Zn2 -","- C24 H18 N8 O8 Zn2 -","- C192 H144 N64 O64 Zn16 -","8","1","","Kan, Wei-Qiu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Effect of organic anions on the self-assembly of Zn(ii)-containing coordination polymers based on trigonal N-donor ligands","CrystEngComm","2012","14","20","6934","","10.1039/c2ce25907a","","","0.71069","MoKα","","0.0737","0.0443","","","0.0777","0.0868","","","","","","1.01","","","","has coordinates","244200","2020-10-21","18:00:00",""
"7238525","11.9521","0.001","12.4769","0.0012","12.7864","0.001","117.498","0.005","99.008","0.006","103.867","0.006","1561","0.3","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H20 O -","- C10 H20 O -","- C60 H120 O6 -","6","3","","Corvis, Yohann; Négrier, Philippe; Massip, Stéphane; Leger, Jean-Michel; Espeau, Philippe","Insights into the crystal structure, polymorphism and thermal behavior of menthol optical isomers and racemates","CrystEngComm","2012","14","20","7055","","10.1039/c2ce26025e","","","1.5418","CuKα","","0.0817","0.064","","","0.1528","0.1683","","","","","","1.02","","","","has coordinates,has disorder","244201","2020-10-21","18:00:00",""
"7238526","10.1137","0.0008","8.512","0.0007","13.9992","0.0012","90","","110.61","0.001","90","","1128.03","0.16","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Cytosinium-2,5-dihydroxybenzoate","","","- C11 H11 N3 O5 -","- C11 H11 N3 O5 -","- C44 H44 N12 O20 -","4","1","","Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan","Competition between the two-point and three-point synthon in cytosine‒carboxylic acid complexes","CrystEngComm","2012","14","20","7065","","10.1039/c2ce26076j","","","0.71073","MoKα","","0.0374","0.0347","","","0.0906","0.0926","","","","","","1.087","","","","has coordinates","244202","2020-10-21","18:00:00",""
"7238527","5.0257","0.0003","24.5327","0.0015","13.1664","0.0008","90","","90.462","0.001","90","","1623.29","0.17","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Cytosinium-3,5-dinitrobenzoate trihydrate","","","- C11 H15 N5 O10 -","- C11 H15 N5 O10 -","- C44 H60 N20 O40 -","4","1","","Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan","Competition between the two-point and three-point synthon in cytosine‒carboxylic acid complexes","CrystEngComm","2012","14","20","7065","","10.1039/c2ce26076j","","","0.71073","MoKα","","0.0702","0.0647","","","0.1312","0.1338","","","","","","1.248","","","","has coordinates","244202","2020-10-21","18:00:00",""
"7238528","14.9164","0.001","12.3456","0.0008","19.9754","0.0013","90","","90","","90","","3678.5","0.4","294","2","294","2","","","","","","","","4","P b c n","-P 2n 2ab","60","Cytosinium 4-hydroxyphenylacetate cytosine monohydrate","","","- C16 H20 N6 O6 -","- C16 H20 N6 O6 -","- C128 H160 N48 O48 -","8","1","","Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan","Competition between the two-point and three-point synthon in cytosine‒carboxylic acid complexes","CrystEngComm","2012","14","20","7065","","10.1039/c2ce26076j","","","0.71073","MoKα","","0.0395","0.0356","","","0.0934","0.0965","","","","","","1.041","","","","has coordinates","244202","2020-10-21","18:00:00",""
"7238529","7.3666","0.0003","6.4615","0.0003","36.9629","0.0016","90","","94.462","0.001","90","","1754.08","0.13","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Cytosinium para amino benzoate cytosine monohydrate","","","- C15 H19 N7 O5 -","- C15 H19 N7 O5 -","- C60 H76 N28 O20 -","4","1","","Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan","Competition between the two-point and three-point synthon in cytosine‒carboxylic acid complexes","CrystEngComm","2012","14","20","7065","","10.1039/c2ce26076j","","","0.71073","MoKα","","0.0548","0.0514","","","0.1415","0.145","","","","","","1.117","","","","has coordinates","244202","2020-10-21","18:00:00",""
"7238530","6.6211","0.0004","12.0765","0.0008","17.3375","0.0011","105.37","0.006","90.852","0.005","91.274","0.005","1336.08","0.15","293","2","293.15","","","","","","","","","2","P -1","-P 1","2","","","","- C39 H27 -","- C39 H27 -","- C78 H54 -","2","1","","Li, Ye-Xin; Zhou, Hong-Bo; Miao, Jin-Ling; Sun, Guo-Xin; Li, Guo-Bao; Nie, Yong; Chen, Chang-Long; Chen, Zhi; Tao, Xu-Tang","Conformation twisting induced orientational disorder, polymorphism and solid-state emission properties of 1-(9-anthryl)-2-(1-naphthyl)ethylene","CrystEngComm","2012","14","23","8286","","10.1039/c2ce26098k","","","0.7107","MoKα","","0.1193","0.0661","","","0.1291","0.1495","","","","","","1.051","","","","has coordinates,has disorder","244203","2020-10-21","18:00:00",""
"7238531","5.5771","0.0003","12.0652","0.0006","25.9356","0.0012","90","","90","","90","","1745.18","0.15","293","2","293.15","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C26 H18 -","- C26 H18 -","- C104 H72 -","4","1","","Li, Ye-Xin; Zhou, Hong-Bo; Miao, Jin-Ling; Sun, Guo-Xin; Li, Guo-Bao; Nie, Yong; Chen, Chang-Long; Chen, Zhi; Tao, Xu-Tang","Conformation twisting induced orientational disorder, polymorphism and solid-state emission properties of 1-(9-anthryl)-2-(1-naphthyl)ethylene","CrystEngComm","2012","14","23","8286","","10.1039/c2ce26098k","","","0.7107","MoKα","","0.087","0.0474","","","0.0858","0.0995","","","","","","0.98","","","","has coordinates","244203","2020-10-21","18:00:00",""
"7238532","12.5169","0.0017","6.1861","0.0007","12.2167","0.0018","90","","110.239","0.015","90","","887.5","0.2","293","2","293.15","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 -","- C13 H9 -","- C52 H36 -","4","1","","Li, Ye-Xin; Zhou, Hong-Bo; Miao, Jin-Ling; Sun, Guo-Xin; Li, Guo-Bao; Nie, Yong; Chen, Chang-Long; Chen, Zhi; Tao, Xu-Tang","Conformation twisting induced orientational disorder, polymorphism and solid-state emission properties of 1-(9-anthryl)-2-(1-naphthyl)ethylene","CrystEngComm","2012","14","23","8286","","10.1039/c2ce26098k","","","0.7107","MoKα","","0.1165","0.0617","","","0.142","0.1743","","","","","","1.037","","","","has coordinates,has disorder","244203","2020-10-21","18:00:00",""
"7238825","10.6408","0.0009","16.2706","0.001","7.5669","0.0007","90","","110.783","0.008","90","","1224.83","0.18","290","","290","","","","","","","","","5","A 1 2 1","A 2y","5","4-bromo-4'nitrobenzylidene aniline","4-bromo-4'nitrobenzylidene aniline","","- C13 H9 Br N2 O2 -","- C13 H9 Br N2 O2 -","- C52 H36 Br4 N8 O8 -","4","1","","Subashini, Ashokkumar; Leela, Sundararaman; Ramamurthi, Kandasamy; Arakcheeva, Alla; Stoeckli-Evans, Helen; Petříček, Vaclav; Chapuis, Gervais; Pattison, Philip; Reji, Philip","Synthesis, growth and characterization of 4-bromo-4′-nitrobenzylidene aniline (BNBA): a novel nonlinear optical material with a (3+1)-dimensional incommensurately modulated structure","CrystEngComm","2013","15","13","2474","","10.1039/c3ce26663j","","","0.7","synchrotron","","0.0488","0.0296","","","0.0302","0.0312","","","","1.66","1.66","1.31","","","","has coordinates","244396","2020-10-21","18:00:00",""
"7238826","10.5217","0.001","16.2535","0.0016","7.4403","0.0007","90","","110.709","0.007","90","","1190.2","0.2","","","173","","","","","","","","","5","A 1 2 1","A 2y","5","BNBA","4-bromo-4'nitrobenzylidene aniline","","- C13 H9 Br N2 O2 -","- C6.5 H4.5 Br0.5 N O -","- C26 H18 Br2 N4 O4 -","4","1","","Subashini, Ashokkumar; Leela, Sundararaman; Ramamurthi, Kandasamy; Arakcheeva, Alla; Stoeckli-Evans, Helen; Petříček, Vaclav; Chapuis, Gervais; Pattison, Philip; Reji, Philip","Synthesis, growth and characterization of 4-bromo-4′-nitrobenzylidene aniline (BNBA): a novel nonlinear optical material with a (3+1)-dimensional incommensurately modulated structure","CrystEngComm","2013","15","13","2474","","10.1039/c3ce26663j","","","0.71073","MoKα","","0.0718","0.0473","","","0.0448","0.0471","","","","2.01","2.01","1.76","","","","has coordinates","244396","2020-10-21","18:00:00",""
"7238827","24.1322","0.0007","8.2047","0.0003","15.471","0.0005","90","","90","","90","","3063.22","0.17","296","2","296","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C61 H63 F6 N12 Ni2 O12.5 -","- C61 H63 F6 N12 Ni2 O12.5 -","- C122 H126 F12 N24 Ni4 O25 -","2","0.5","","Lin, Jian-Wen; Thanasekaran, Pounraj; Chang, Jing-Shang; Wu, Jing-Yun; Lai, Long-Li; Lu, Kuang-Lieh","Host‒guest key‒lock hydrogen-bonding interactions: a rare case in the design of a V-shaped polycarboxylate Ni(ii)-based chiral coordination polymer","CrystEngComm","2013","15","45","9798","","10.1039/c3ce41047a","","","0.71073","MoKα","","0.122","0.0613","","","0.123","0.1637","","","","","","1.018","","","","has coordinates,has disorder","244397","2020-10-21","18:00:00",""
"7238828","13.0719","0.0006","15.3456","0.0006","21.2185","0.0009","94.012","0.002","106.478","0.002","106.321","0.002","3864.9","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H80 N12 Ni3 O27 -","- C74 H80 N12 Ni3 O27 -","- C148 H160 N24 Ni6 O54 -","2","1","","Lin, Jian-Wen; Thanasekaran, Pounraj; Chang, Jing-Shang; Wu, Jing-Yun; Lai, Long-Li; Lu, Kuang-Lieh","Host‒guest key‒lock hydrogen-bonding interactions: a rare case in the design of a V-shaped polycarboxylate Ni(ii)-based chiral coordination polymer","CrystEngComm","2013","15","45","9798","","10.1039/c3ce41047a","","","0.71073","MoKα","","0.1691","0.0976","","","0.2334","0.2976","","","","","","0.985","","","","has coordinates,has disorder","244397","2020-10-21","18:00:00",""
"7238829","18.927","0.0008","15.5587","0.0007","15.9579","0.0006","90","","113.848","0.001","90","","4298.1","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H42 N8 Ni2 O11 -","- C44 H42 N8 Ni2 O11 -","- C176 H168 N32 Ni8 O44 -","4","0.5","","Lin, Jian-Wen; Thanasekaran, Pounraj; Chang, Jing-Shang; Wu, Jing-Yun; Lai, Long-Li; Lu, Kuang-Lieh","Host‒guest key‒lock hydrogen-bonding interactions: a rare case in the design of a V-shaped polycarboxylate Ni(ii)-based chiral coordination polymer","CrystEngComm","2013","15","45","9798","","10.1039/c3ce41047a","","","0.71073","MoKα","","0.0997","0.0731","","","0.2187","0.2468","","","","","","1.07","","","","has coordinates,has disorder","244397","2020-10-21","18:00:00",""
"7238830","13.5733","0.0005","15.9205","0.0007","20.8014","0.0009","90","","90","","90","","4495.1","0.3","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C45 H44 Cd2 N8 O12 -","- C45 H44 Cd2 N8 O12 -","- C180 H176 Cd8 N32 O48 -","4","0.5","","Lin, Jian-Wen; Thanasekaran, Pounraj; Chang, Jing-Shang; Wu, Jing-Yun; Lai, Long-Li; Lu, Kuang-Lieh","Host‒guest key‒lock hydrogen-bonding interactions: a rare case in the design of a V-shaped polycarboxylate Ni(ii)-based chiral coordination polymer","CrystEngComm","2013","15","45","9798","","10.1039/c3ce41047a","","","0.71073","MoKα","","0.1024","0.0814","","","0.169","0.1761","","","","","","1.401","","","","has coordinates","244397","2020-10-21","18:00:00",""
"7238831","9.7539","0.0015","19.227","0.003","24.684","0.004","90","","90","","90","","4629.2","1.3","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H24 N12 Na2 O34 Zn5 -","- C30 H24 N12 Na2 O34 Zn5 -","- C120 H96 N48 Na8 O136 Zn20 -","4","0.5","","Goswami, Pramod Kumar; Singh, Monika; Thaimattam, Ram; Ramanan, Arunachalam","Extending the supramolecular synthon concept in flexible polyaminocarboxylate based coordination polymers","CrystEngComm","2013","15","45","9787","","10.1039/c3ce41067f","","","0.71073","MoKα","","0.0504","0.0448","","","0.1266","0.1303","","","","","","1.043","","","","has coordinates","244398","2020-10-21","18:00:00",""
"7238832","10.559","0.003","10.857","0.003","11.426","0.003","108.323","0.004","108.209","0.004","93.566","0.004","1162.3","0.6","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H13 Cl N6 Na4 O14 -","- C15 H13 Cl N6 Na4 O14 -","- C30 H26 Cl2 N12 Na8 O28 -","2","1","","Goswami, Pramod Kumar; Singh, Monika; Thaimattam, Ram; Ramanan, Arunachalam","Extending the supramolecular synthon concept in flexible polyaminocarboxylate based coordination polymers","CrystEngComm","2013","15","45","9787","","10.1039/c3ce41067f","","","0.71073","MoKα","","0.1","0.093","","","0.2139","0.2179","","","","","","1.215","","","","has coordinates","244398","2020-10-21","18:00:00",""
"7238833","5.3371","0.0016","10.693","0.003","18.67","0.006","80.696","0.005","84.7","0.005","86.105","0.006","1045.5","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H14 Mg2 N6 O13 -","- C15 H14 Mg2 N6 O13 -","- C30 H28 Mg4 N12 O26 -","2","1","","Goswami, Pramod Kumar; Singh, Monika; Thaimattam, Ram; Ramanan, Arunachalam","Extending the supramolecular synthon concept in flexible polyaminocarboxylate based coordination polymers","CrystEngComm","2013","15","45","9787","","10.1039/c3ce41067f","","","0.71073","MoKα","","0.0873","0.0759","","","0.1642","0.1703","","","","","","1.211","","","","has coordinates","244398","2020-10-21","18:00:00",""
"7238834","22.799","0.004","10.812","0.002","10.723","0.002","90","","109.793","0.003","90","","2487.1","0.8","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H14 Cu2 N6 O18 -","- C15 H14 Cu2 N6 O18 -","- C60 H56 Cu8 N24 O72 -","4","0.5","","Goswami, Pramod Kumar; Singh, Monika; Thaimattam, Ram; Ramanan, Arunachalam","Extending the supramolecular synthon concept in flexible polyaminocarboxylate based coordination polymers","CrystEngComm","2013","15","45","9787","","10.1039/c3ce41067f","","","0.71073","MoKα","","0.0554","0.0469","","","0.1191","0.1233","","","","","","1.135","","","","has coordinates","244398","2020-10-21","18:00:00",""
"7238835","20.045","0.004","12.656","0.003","21.157","0.004","90","","90.688","0.004","90","","5366.9","1.9","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H13 Cu2 N6 O20 -","- C15 H13 Cu2 N6 O20 -","- C120 H104 Cu16 N48 O160 -","8","1","","Goswami, Pramod Kumar; Singh, Monika; Thaimattam, Ram; Ramanan, Arunachalam","Extending the supramolecular synthon concept in flexible polyaminocarboxylate based coordination polymers","CrystEngComm","2013","15","45","9787","","10.1039/c3ce41067f","","","0.71073","MoKα","","0.1161","0.1139","","","0.2269","0.2279","","","","","","1.192","","","","has coordinates","244398","2020-10-21","18:00:00",""
"7238836","14.005","0.006","10.324","0.004","19.368","0.008","90","","102.13","0.007","90","","2737.9","1.9","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 N6 O21 Zn2 -","- C15 H14 N6 O21 Zn2 -","- C60 H56 N24 O84 Zn8 -","4","1","","Goswami, Pramod Kumar; Singh, Monika; Thaimattam, Ram; Ramanan, Arunachalam","Extending the supramolecular synthon concept in flexible polyaminocarboxylate based coordination polymers","CrystEngComm","2013","15","45","9787","","10.1039/c3ce41067f","","","0.71073","MoKα","","0.0579","0.049","","","0.1258","0.1313","","","","","","1.121","","","","has coordinates","244398","2020-10-21","18:00:00",""
"7238837","10.31","","13.738","","15.829","","67.25","","81.91","","89.77","","2043.88","","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H29 Ag B F4 N3 O10 S3 -","- C30 H27 Ag B F4 N3 O10 S3 -","- C60 H54 Ag2 B2 F8 N6 O20 S6 -","2","1","","Xiong, Ying; Yang, Rui; Chen, Sha; Jiang, Ji-Jun; Su, Cheng-Yong","Assembly of Ag(i) coordination polymers from a tripyridyl-ester ligand: effects of counter anion, ligand conformation and π‒π interaction on non-interpenetrating 2D →3D dimension increase","CrystEngComm","2013","15","45","9751","","10.1039/c3ce41071d","","","0.71073","MoKα","","0.0961","0.0756","","","0.1995","0.2115","","","","","","1.013","","","","has coordinates,has disorder","244399","2020-10-21","18:00:00",""
"7238838","11.2552","0.0011","13.6464","0.0014","16.3098","0.0016","110.448","0.002","100.874","0.002","95.504","0.002","2269.2","0.4","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H38.5 Ag F6 N3 O11.75 S3 Sb -","- C30 H33 Ag F6 N3 O11.75 S3 Sb -","- C60 H66 Ag2 F12 N6 O23.5 S6 Sb2 -","2","1","","Xiong, Ying; Yang, Rui; Chen, Sha; Jiang, Ji-Jun; Su, Cheng-Yong","Assembly of Ag(i) coordination polymers from a tripyridyl-ester ligand: effects of counter anion, ligand conformation and π‒π interaction on non-interpenetrating 2D →3D dimension increase","CrystEngComm","2013","15","45","9751","","10.1039/c3ce41071d","","","0.71073","MoKα","","0.0706","0.0506","","","0.1489","0.1674","","","","","","1.053","","","","has coordinates,has disorder","244399","2020-10-21","18:00:00",""
"7238839","10.6004","0.0012","11.6175","0.0014","12.1474","0.0014","83.729","0.002","83.464","0.002","74.505","0.002","1427.4","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H19 Ag F3 N3 O10 -","- C28 H15 Ag F3 N3 O10 -","- C56 H30 Ag2 F6 N6 O20 -","2","1","","Xiong, Ying; Yang, Rui; Chen, Sha; Jiang, Ji-Jun; Su, Cheng-Yong","Assembly of Ag(i) coordination polymers from a tripyridyl-ester ligand: effects of counter anion, ligand conformation and π‒π interaction on non-interpenetrating 2D →3D dimension increase","CrystEngComm","2013","15","45","9751","","10.1039/c3ce41071d","","","0.71073","MoKα","","0.0542","0.0448","","","0.1293","0.1394","","","","","","1.014","","","","has coordinates,has disorder","244399","2020-10-21","18:00:00",""
"7238840","10.8496","0.0015","12.2389","0.0017","13.0651","0.0018","92.079","0.002","93.681","0.002","92.701","0.002","1728","0.4","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C28 H22 Ag Cl3 F3 N3 O10 S2 -","- C28 H21.759 Ag Cl3 F3 N3 O10 S2 -","- C56 H43.518 Ag2 Cl6 F6 N6 O20 S4 -","2","1","","Xiong, Ying; Yang, Rui; Chen, Sha; Jiang, Ji-Jun; Su, Cheng-Yong","Assembly of Ag(i) coordination polymers from a tripyridyl-ester ligand: effects of counter anion, ligand conformation and π‒π interaction on non-interpenetrating 2D →3D dimension increase","CrystEngComm","2013","15","45","9751","","10.1039/c3ce41071d","","","0.71073","MoKα","","0.0983","0.0665","","","0.1762","0.2107","","","","","","0.846","","","","has coordinates,has disorder","244399","2020-10-21","18:00:00",""
"7238841","10.099","0.002","16.811","0.003","15.251","0.003","90","","96.81","0.03","90","","2571","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 Cd N2 O10 -","- C22 H23 Cd N2 O10 -","- C88 H92 Cd4 N8 O40 -","4","1","","Zhang, Xiaoping; Zhou, Jingmin; Shi, Wei; Zhang, Zhenjie; Cheng, Peng","Two cadmium(ii) coordination polymers constructed by carboxylate and pyridine mixed ligands: synthesis, structure and luminescent properties","CrystEngComm","2013","15","45","9738","","10.1039/c3ce41073k","","","0.71073","MoKα","","0.0822","0.0733","","","0.1709","0.1761","","","","","","1.053","","","","has coordinates","244400","2020-10-21","18:00:00",""
"7238842","10.5925","0.001","19.4409","0.0018","23.682","0.002","73.744","0.001","83.661","0.002","89.712","0.002","4651.5","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C83 H53 Cd6 N9 O29.5 -","- C83 H53 Cd6 N9 O29.25 -","- C166 H106 Cd12 N18 O58.5 -","2","1","","Zhang, Xiaoping; Zhou, Jingmin; Shi, Wei; Zhang, Zhenjie; Cheng, Peng","Two cadmium(ii) coordination polymers constructed by carboxylate and pyridine mixed ligands: synthesis, structure and luminescent properties","CrystEngComm","2013","15","45","9738","","10.1039/c3ce41073k","","","0.71075","MoKα","","0.0916","0.0693","","","0.1858","0.1997","","","","","","1.094","","","","has coordinates,has disorder","244400","2020-10-21","18:00:00",""
"7238843","10.8861","0.0008","10.2944","0.0008","14.3534","0.0008","90","","120.868","0.004","90","","1380.68","0.18","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H6 Cd F2 N2 O4 -","- C12 H6 Cd F2 N2 O4 -","- C48 H24 Cd4 F8 N8 O16 -","4","1","","Li, Cheng-Peng; Chen, Jing; Liu, Peng-Wen; Du, Miao","Structural diversity and fluorescent properties of CdII coordination polymers with 5-halonicotinates regulated by solvent and ligand halogen-substituting effect","CrystEngComm","2013","15","45","9713","","10.1039/c3ce41116h","","","0.71073","MoKα","","0.0366","0.0349","","","0.0921","0.0936","","","","","","1.072","","","","has coordinates","244401","2020-10-21","18:00:00",""
"7238844","15.1219","0.0008","9.4338","0.0005","9.0516","0.0005","90","","113.688","0.001","90","","1182.48","0.11","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H6 Cd F2 N2 O4 -","- C12 H6 Cd F2 N2 O4 -","- C48 H24 Cd4 F8 N8 O16 -","4","0.5","","Li, Cheng-Peng; Chen, Jing; Liu, Peng-Wen; Du, Miao","Structural diversity and fluorescent properties of CdII coordination polymers with 5-halonicotinates regulated by solvent and ligand halogen-substituting effect","CrystEngComm","2013","15","45","9713","","10.1039/c3ce41116h","","","0.71073","MoKα","","0.0185","0.018","","","0.0435","0.0439","","","","","","1.094","","","","has coordinates","244401","2020-10-21","18:00:00",""
"7238845","13.9287","0.0015","12.7175","0.0014","6.9109","0.0008","90","","95.088","0.002","90","","1219.4","0.2","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 Cd Cl F N2 O3 -","- C9 H10 Cd Cl F N2 O3 -","- C36 H40 Cd4 Cl4 F4 N8 O12 -","4","1","","Li, Cheng-Peng; Chen, Jing; Liu, Peng-Wen; Du, Miao","Structural diversity and fluorescent properties of CdII coordination polymers with 5-halonicotinates regulated by solvent and ligand halogen-substituting effect","CrystEngComm","2013","15","45","9713","","10.1039/c3ce41116h","","","0.71073","MoKα","","0.021","0.0178","","","0.0405","0.0418","","","","","","1.027","","","","has coordinates","244401","2020-10-21","18:00:00",""
"7238846","11.1319","0.0006","9.9512","0.0005","14.2568","0.0006","90","","120.015","0.003","90","","1367.51","0.12","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H6 Cd Cl2 N2 O4 -","- C12 H6 Cd Cl2 N2 O4 -","- C48 H24 Cd4 Cl8 N8 O16 -","4","1","","Li, Cheng-Peng; Chen, Jing; Liu, Peng-Wen; Du, Miao","Structural diversity and fluorescent properties of CdII coordination polymers with 5-halonicotinates regulated by solvent and ligand halogen-substituting effect","CrystEngComm","2013","15","45","9713","","10.1039/c3ce41116h","","","0.71073","MoKα","","0.0233","0.0191","","","0.043","0.0445","","","","","","1.037","","","","has coordinates","244401","2020-10-21","18:00:00",""
"7238847","5.6741","0.0014","9.26","0.002","15.044","0.004","90","","104.33","0.008","90","","765.9","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Cd Cl2 N2 O6 -","- C12 H10 Cd Cl2 N2 O6 -","- C24 H20 Cd2 Cl4 N4 O12 -","2","0.5","","Li, Cheng-Peng; Chen, Jing; Liu, Peng-Wen; Du, Miao","Structural diversity and fluorescent properties of CdII coordination polymers with 5-halonicotinates regulated by solvent and ligand halogen-substituting effect","CrystEngComm","2013","15","45","9713","","10.1039/c3ce41116h","","","0.71073","MoKα","","0.018","0.0161","","","0.0426","0.0439","","","","","","1.085","","","","has coordinates","244401","2020-10-21","18:00:00",""
"7238848","14.1516","0.0006","12.6704","0.0006","7.0376","0.0003","90","","93.615","0.001","90","","1259.38","0.1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 Cd Cl2 N2 O3 -","- C9 H10 Cd Cl2 N2 O3 -","- C36 H40 Cd4 Cl8 N8 O12 -","4","1","","Li, Cheng-Peng; Chen, Jing; Liu, Peng-Wen; Du, Miao","Structural diversity and fluorescent properties of CdII coordination polymers with 5-halonicotinates regulated by solvent and ligand halogen-substituting effect","CrystEngComm","2013","15","45","9713","","10.1039/c3ce41116h","","","0.71073","MoKα","","0.0223","0.0194","","","0.0434","0.0446","","","","","","1.057","","","","has coordinates","244401","2020-10-21","18:00:00",""
"7238849","15.2423","0.0008","17.1026","0.0008","15.0777","0.0007","90","","120.312","0.001","90","","3393.2","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13.5 H12 Cd Cl2 N2 O5.5 -","- C13.5 H7 Cd Cl2 N2 O5.5 -","- C108 H56 Cd8 Cl16 N16 O44 -","8","1","","Li, Cheng-Peng; Chen, Jing; Liu, Peng-Wen; Du, Miao","Structural diversity and fluorescent properties of CdII coordination polymers with 5-halonicotinates regulated by solvent and ligand halogen-substituting effect","CrystEngComm","2013","15","45","9713","","10.1039/c3ce41116h","","","0.71073","MoKα","","0.0408","0.0312","","","0.0786","0.0835","","","","","","1.069","","","","has coordinates,has disorder","244401","2020-10-21","18:00:00",""
"7238850","16.6263","0.0003","12.7971","0.0003","14.4678","0.0003","90","","90","","90","","3078.29","0.11","130","2","130","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C17 H28 B2 Cu2 F8 N4 O12 -","- C17 H24 B2 Cu2 F7.992 N4 O12 -","- C68 H96 B8 Cu8 F31.968 N16 O48 -","4","0.5","","Abrahams, Brendan F.; Maynard-Casely, Helen E.; Robson, Richard; White, Keith F.","Copper(ii) coordination polymers of imdc− (H2imdc+ = the 1,3-bis(carboxymethyl)imidazolium cation): unusual sheet interpenetration and an unexpected single crystal-to-single crystal transformation","CrystEngComm","2013","15","45","9729","","10.1039/c3ce41226a","","","1.54184","CuKα","","0.0639","0.0578","","","0.1562","0.1597","","","","","","1.163","","","","has coordinates,has disorder","244402","2020-10-21","18:00:00",""
"7238851","15.6203","0.0016","11.564","0.002","14.8705","0.0014","90","","90","","90","","2686.1","0.6","130","2","130","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C14 H14 B2 Cu2 F8 N4 O8 -","- C14 H14 B2 Cu2 F8 N4 O8 -","- C56 H56 B8 Cu8 F32 N16 O32 -","4","0.5","","Abrahams, Brendan F.; Maynard-Casely, Helen E.; Robson, Richard; White, Keith F.","Copper(ii) coordination polymers of imdc− (H2imdc+ = the 1,3-bis(carboxymethyl)imidazolium cation): unusual sheet interpenetration and an unexpected single crystal-to-single crystal transformation","CrystEngComm","2013","15","45","9729","","10.1039/c3ce41226a","","","1.54184","CuKα","","0.1507","0.0784","","","0.2015","0.2428","","","","","","0.97","","","","has coordinates,has disorder","244402","2020-10-21","18:00:00",""
"7238852","12.4176","0.0002","22.5346","0.0003","10.1644","0.0002","90","","107.054","0.002","90","","2719.19","0.08","130","2","130","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C16 H28 Cu3 F6 N4 O14 Si -","- C16 H28 Cu3 F6 N4 O14 Si -","- C64 H112 Cu12 F24 N16 O56 Si4 -","4","1","","Abrahams, Brendan F.; Maynard-Casely, Helen E.; Robson, Richard; White, Keith F.","Copper(ii) coordination polymers of imdc− (H2imdc+ = the 1,3-bis(carboxymethyl)imidazolium cation): unusual sheet interpenetration and an unexpected single crystal-to-single crystal transformation","CrystEngComm","2013","15","45","9729","","10.1039/c3ce41226a","","","1.54184","CuKα","","0.0282","0.0266","","","0.0687","0.0699","","","","","","1.056","","","","has coordinates","244402","2020-10-21","18:00:00",""
"7238853","7.1674","0.0006","7.5711","0.0008","8.4825","0.0011","109.937","0.011","94.919","0.008","116.156","0.009","372.9","0.09","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H14 Cu N4 O8 -","- C14 H14 Cu N4 O8 -","- C14 H14 Cu N4 O8 -","1","0.5","","Abrahams, Brendan F.; Maynard-Casely, Helen E.; Robson, Richard; White, Keith F.","Copper(ii) coordination polymers of imdc− (H2imdc+ = the 1,3-bis(carboxymethyl)imidazolium cation): unusual sheet interpenetration and an unexpected single crystal-to-single crystal transformation","CrystEngComm","2013","15","45","9729","","10.1039/c3ce41226a","","","1.54184","CuKα","","0.0836","0.0818","","","0.3175","0.3181","","","","","","1.331","","","","has coordinates","244402","2020-10-21","18:00:00",""
"7238854","12.3883","0.0003","12.3883","0.0003","14.5923","0.0004","90","","90","","90","","2239.48","0.1","130","2","130","2","","","","","","","","8","P -4 2 c","P -4 2c","112","","","","- C28 H42 B Cu2 F4 N8 Na O23 -","- C28 H28 B Cu2 F4 N8 Na O23 -","- C56 H56 B2 Cu4 F8 N16 Na2 O46 -","2","0.25","","Abrahams, Brendan F.; Maynard-Casely, Helen E.; Robson, Richard; White, Keith F.","Copper(ii) coordination polymers of imdc− (H2imdc+ = the 1,3-bis(carboxymethyl)imidazolium cation): unusual sheet interpenetration and an unexpected single crystal-to-single crystal transformation","CrystEngComm","2013","15","45","9729","","10.1039/c3ce41226a","","","1.54184","CuKα","","0.0624","0.0569","","","0.1636","0.1715","","","","","","1.073","","","","has coordinates","244402","2020-10-21","18:00:00",""
"7238855","20.109","0.0007","20.109","0.0007","20.109","0.0007","90","","90","","90","","8131.5","0.5","293","2","293","2","","","","","","","","5","F -4 3 m","F -4 2 3","216","HHU-1","","","- C18 H18 Co4 N6 O7 -","- C18 H18 Co4 N6 O5.5 -","- C144 H144 Co32 N48 O44 -","8","0.0833333","","Heering, Christian; Boldog, Ishtvan; Vasylyeva, Vera; Sanchiz, Joaquín; Janiak, Christoph","Bifunctional pyrazolate‒carboxylate ligands for isoreticular cobalt and zinc MOF-5 analogs with magnetic analysis of the {Co4(μ4-O)} node","CrystEngComm","2013","15","45","9757","","10.1039/c3ce41426d","","","1.5418","CuKα","","0.0814","0.0723","","","0.2078","0.2203","","","","","","1.157","","","","has coordinates,has disorder","244403","2020-10-21","18:00:00",""
"7238856","20.071","0.003","20.071","0.003","20.071","0.003","90","","90","","90","","8086","2","293","2","293","2","","","","","","","","5","F -4 3 m","F -4 2 3","216","HHU-2","","","- C18 H18 N6 O7 Zn4 -","- C18 H18 N6 O7 Zn4 -","- C144 H144 N48 O56 Zn32 -","8","0.0833333","","Heering, Christian; Boldog, Ishtvan; Vasylyeva, Vera; Sanchiz, Joaquín; Janiak, Christoph","Bifunctional pyrazolate‒carboxylate ligands for isoreticular cobalt and zinc MOF-5 analogs with magnetic analysis of the {Co4(μ4-O)} node","CrystEngComm","2013","15","45","9757","","10.1039/c3ce41426d","","","1.5418","CuKα","","0.0491","0.0376","","","0.0937","0.0998","","","","","","1.001","","","","has coordinates,has disorder","244403","2020-10-21","18:00:00",""
"7238857","14.242","0.003","14.278","0.003","14.332","0.004","90","","90","","90","","2914.4","1.2","95","2","95","2","","","","","","","","5","P 2 2 2","P 2 2","16","HHU-3","","","- C36 H20 Co4 N6 O7 -","- C36 H20 Co4 N6 O7 -","- C36 H20 Co4 N6 O7 -","1","0.25","","Heering, Christian; Boldog, Ishtvan; Vasylyeva, Vera; Sanchiz, Joaquín; Janiak, Christoph","Bifunctional pyrazolate‒carboxylate ligands for isoreticular cobalt and zinc MOF-5 analogs with magnetic analysis of the {Co4(μ4-O)} node","CrystEngComm","2013","15","45","9757","","10.1039/c3ce41426d","","","1.54178","CuKα","","0.112","0.0691","","","0.1453","0.1574","","","","","","0.923","","","","has coordinates,has disorder","244403","2020-10-21","18:00:00",""
"7238858","19.063","0.002","19.875","0.002","19.898","0.002","92.131","0.002","112.476","0.002","112.5","0.002","6285.6","1.1","90","2","90","2","","","","","","","","3","P -1","-P 1","2","3H2","","","- C40 H34 O7 -","- C40 H34 O7 -","- C320 H272 O56 -","8","4","","Crane, Angela K.; Wong, Elaine Y. L.; MacLachlan, Mark J.","Metal‒organic frameworks from novel flexible triptycene- and pentiptycene-based ligands","CrystEngComm","2013","15","45","9811","","10.1039/c3ce41459k","","","0.71073","MoKα","","0.1117","0.0733","","","0.1964","0.2376","","","","","","1.031","","","","has coordinates,has disorder","244404","2020-10-21","18:00:00",""
"7238859","20.9859","0.001","16.4295","0.0008","9.2328","0.0004","90","","114.34","0.001","90","","2900.4","0.2","90","2","90","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","3Me2","","","- C38 H30 O6 -","- C38 H30 O6 -","- C152 H120 O24 -","4","0.5","","Crane, Angela K.; Wong, Elaine Y. L.; MacLachlan, Mark J.","Metal‒organic frameworks from novel flexible triptycene- and pentiptycene-based ligands","CrystEngComm","2013","15","45","9811","","10.1039/c3ce41459k","","","0.71073","MoKα","","0.0481","0.038","","","0.0975","0.1055","","","","","","1.013","","","","has coordinates","244404","2020-10-21","18:00:00",""
"7238860","11.335","0.005","14.854","0.005","15.823","0.005","90","","106.14","0.005","90","","2559.1","1.6","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","5H2","","","- C64 H64 O8 -","- C64 H64 O8 -","- C128 H128 O16 -","2","0.5","","Crane, Angela K.; Wong, Elaine Y. L.; MacLachlan, Mark J.","Metal‒organic frameworks from novel flexible triptycene- and pentiptycene-based ligands","CrystEngComm","2013","15","45","9811","","10.1039/c3ce41459k","","","0.71069","MoKα","","0.1442","0.0879","","","0.2333","0.2769","","","","","","1.037","","","","has coordinates,has disorder","244404","2020-10-21","18:00:00",""
"7238861","18.978","0.005","23.17","0.005","23.477","0.005","87.73","0.005","68.378","0.005","68.299","0.005","8861","4","90","2","90","2","","","","","","","","5","P -1","-P 1","2","PMOF-1","","","- C348 H314 N16 O61 Zn8 -","- C348 H304 N16 O61 Zn8 -","- C348 H304 N16 O61 Zn8 -","1","0.5","","Crane, Angela K.; Wong, Elaine Y. L.; MacLachlan, Mark J.","Metal‒organic frameworks from novel flexible triptycene- and pentiptycene-based ligands","CrystEngComm","2013","15","45","9811","","10.1039/c3ce41459k","","","0.71073","MoKα","","0.1332","0.0958","","","0.2697","0.2908","","","","","","1.081","","","","has coordinates,has disorder","244404","2020-10-21","18:00:00",""
"7238862","8.5277","0.0006","16.9942","0.0012","17.4044","0.0012","113.501","0.004","101.299","0.004","95.99","0.004","2221","0.3","90","2","90","2","","","","","","","","5","P -1","-P 1","2","TMOF-3","","","- C47 H52 N4 O9 Zn -","- C47 H51 N4 O9 Zn -","- C94 H102 N8 O18 Zn2 -","2","1","","Crane, Angela K.; Wong, Elaine Y. L.; MacLachlan, Mark J.","Metal‒organic frameworks from novel flexible triptycene- and pentiptycene-based ligands","CrystEngComm","2013","15","45","9811","","10.1039/c3ce41459k","","","0.71073","MoKα","","0.1064","0.0767","","","0.2123","0.2357","","","","","","1.036","","","","has coordinates,has disorder","244404","2020-10-21","18:00:00",""
"7238863","11.3952","0.0007","16.0546","0.0009","25.1653","0.0016","84.376","0.004","82.666","0.004","78.759","0.004","4465.9","0.5","90","2","90","2","","","","","","","","6","P -1","-P 1","2","TMOF-3-bipy","","","- C223 H174 Cl5 N11 O27 Zn4 -","- C221.668 H174.89 Cl4.778 N11 O27 Zn4 -","- C221.668 H174.89 Cl4.778 N11 O27 Zn4 -","1","0.5","","Crane, Angela K.; Wong, Elaine Y. L.; MacLachlan, Mark J.","Metal‒organic frameworks from novel flexible triptycene- and pentiptycene-based ligands","CrystEngComm","2013","15","45","9811","","10.1039/c3ce41459k","","","1.54178","CuKα","","0.0872","0.0798","","","0.22","0.2343","","","","","","1.031","","","","has coordinates,has disorder","244404","2020-10-21","18:00:00",""
"7238864","33.48","0.02","33.48","0.02","105.59","0.07","90","","90","","120","","102500","11","90","2","90","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","TMOF-4","","","- C216 H148 O39 Zn7 -","- C216 H144 O39 Zn7 -","- C2592 H1728 O468 Zn84 -","12","0.333333","","Crane, Angela K.; Wong, Elaine Y. L.; MacLachlan, Mark J.","Metal‒organic frameworks from novel flexible triptycene- and pentiptycene-based ligands","CrystEngComm","2013","15","45","9811","","10.1039/c3ce41459k","","","1.54178","CuKα","","0.1737","0.1166","","","0.3416","0.3755","","","","","","1.266","","","","has coordinates","244404","2020-10-21","18:00:00",""
"7238865","14.7153","0.0013","9.0139","0.0008","16.3787","0.0014","90","","107.313","0.003","90","","2074.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 Br2 Cd N5 -","- C21 H17 Br2 Cd N5 -","- C84 H68 Br8 Cd4 N20 -","4","1","","Dey, Avishek; Mandal, Sumit K.; Biradha, Kumar","Metal‒organic gels and coordination networks of pyridine-3,5-bis(1-methyl-benzimidazole-2-yl) and metal halides: self sustainability, mechano, chemical responsiveness and gas and dye sorptions","CrystEngComm","2013","15","45","9769","","10.1039/c3ce41501e","","","0.71073","MoKα","","0.0694","0.0388","","","0.1037","0.1258","","","","","","0.815","","","","has coordinates","244405","2020-10-21","18:00:00",""
"7238866","14.578","0.003","8.8123","0.0016","16.385","0.003","90","","108.323","0.006","90","","1998.2","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 Cl2 Hg N5 -","- C21 H17 Cl2 Hg N5 -","- C84 H68 Cl8 Hg4 N20 -","4","1","","Dey, Avishek; Mandal, Sumit K.; Biradha, Kumar","Metal‒organic gels and coordination networks of pyridine-3,5-bis(1-methyl-benzimidazole-2-yl) and metal halides: self sustainability, mechano, chemical responsiveness and gas and dye sorptions","CrystEngComm","2013","15","45","9769","","10.1039/c3ce41501e","","","0.71073","MoKα","","0.0802","0.043","","","0.1108","0.1294","","","","","","0.817","","","","has coordinates","244405","2020-10-21","18:00:00",""
"7238867","14.706","0.002","9.0229","0.0014","16.359","0.003","90","","107.064","0.004","90","","2075.1","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 Br2 Hg N5 -","- C21 H17 Br2 Hg N5 -","- C84 H68 Br8 Hg4 N20 -","4","1","","Dey, Avishek; Mandal, Sumit K.; Biradha, Kumar","Metal‒organic gels and coordination networks of pyridine-3,5-bis(1-methyl-benzimidazole-2-yl) and metal halides: self sustainability, mechano, chemical responsiveness and gas and dye sorptions","CrystEngComm","2013","15","45","9769","","10.1039/c3ce41501e","","","0.71073","MoKα","","0.0284","0.0218","","","0.0809","0.0868","","","","","","0.732","","","","has coordinates","244405","2020-10-21","18:00:00",""
"7238868","14.586","0.005","9.65","0.003","16.442","0.006","90","","105.081","0.011","90","","2234.6","1.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 Hg I2 N5 -","- C21 H17 Hg I2 N5 -","- C84 H68 Hg4 I8 N20 -","4","1","","Dey, Avishek; Mandal, Sumit K.; Biradha, Kumar","Metal‒organic gels and coordination networks of pyridine-3,5-bis(1-methyl-benzimidazole-2-yl) and metal halides: self sustainability, mechano, chemical responsiveness and gas and dye sorptions","CrystEngComm","2013","15","45","9769","","10.1039/c3ce41501e","","","0.71073","MoKα","","0.0925","0.0403","","","0.1046","0.1303","","","","","","0.792","","","","has coordinates","244405","2020-10-21","18:00:00",""
"7238869","10.338","0.014","10.672","0.014","11.641","0.016","69.36","0.04","86.54","0.04","78.69","0.04","1178","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H21 Cd I2 N5 O2 -","- C21 H17 Cd I2 N5 O2 -","- C42 H34 Cd2 I4 N10 O4 -","2","1","","Dey, Avishek; Mandal, Sumit K.; Biradha, Kumar","Metal‒organic gels and coordination networks of pyridine-3,5-bis(1-methyl-benzimidazole-2-yl) and metal halides: self sustainability, mechano, chemical responsiveness and gas and dye sorptions","CrystEngComm","2013","15","45","9769","","10.1039/c3ce41501e","","","0.71073","MoKα","","0.3896","0.1411","","","0.2649","0.3272","","","","","","0.777","","","","has coordinates","244405","2020-10-21","18:00:00",""
"7238870","14.449","0.003","8.2156","0.0014","20.383","0.004","90","","109.156","0.005","90","","2285.6","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H42 Cl6 Cu3 N10 O4 -","- C42 H34 Cl6 Cu3 N10 O4 -","- C84 H68 Cl12 Cu6 N20 O8 -","2","0.5","","Dey, Avishek; Mandal, Sumit K.; Biradha, Kumar","Metal‒organic gels and coordination networks of pyridine-3,5-bis(1-methyl-benzimidazole-2-yl) and metal halides: self sustainability, mechano, chemical responsiveness and gas and dye sorptions","CrystEngComm","2013","15","45","9769","","10.1039/c3ce41501e","","","0.71073","MoKα","","0.1193","0.0624","","","0.15","0.1834","","","","","","1.057","","","","has coordinates","244405","2020-10-21","18:00:00",""
"7239596","24.7106","0.0015","24.7106","0.0015","23.2547","0.0014","90","","90","","90","","14199.6","1.5","100","","100","","","","","","","","","7","I -4","I -4","82","","","","- C13.68 H13.68 As4 Ce24 Na2 O214 W36 -","- C13.68 H13.68 As4 Ce24 Na2 O294 W36 -","- C27.36 H27.36 As8 Ce48 Na4 O588 W72 -","2","0.25","","Dufaye, Maxime; Duval, Sylvain; Stoclet, Gregory; Loiseau, Thierry","Influence of pH on CeIV-[AsIIIW9O33]9− association for the formation of hexanuclear cerium(iv) oxo-hydroxo-clusters stabilized by trivacant polyanions","CrystEngComm","2020","22","2","371","380","10.1039/C9CE01663E","","x-ray","0.71073","MoKα","","0.042","0.0326","","","0.067","0.0712","","","","","","1.019","","","","has coordinates,has disorder","287753","2023-11-23","09:34:45",""
"7239597","18.6179","0.0013","19.6067","0.0015","27.947","0.002","99.61","0.004","105.262","0.004","108.594","0.004","8970.2","1.2","99.99","","99.99","","","","","","","","","5","P -1","-P 1","2","","","","- As6 Ce12 Na18 O341 W58 -","- As6 Ce12 Na18 O341 W58 -","- As6 Ce12 Na18 O341 W58 -","1","0.5","","Dufaye, Maxime; Duval, Sylvain; Stoclet, Gregory; Loiseau, Thierry","Influence of pH on CeIV-[AsIIIW9O33]9− association for the formation of hexanuclear cerium(iv) oxo-hydroxo-clusters stabilized by trivacant polyanions","CrystEngComm","2020","22","2","371","380","10.1039/C9CE01663E","","x-ray","0.71073","MoKα","","0.1258","0.059","","","0.1233","0.1454","","","","","","1.015","","","","has coordinates","257464","2020-10-21","18:00:00",""
"7239598","11.9097","0.0007","15.2185","0.0008","21.8082","0.0013","90.152","0.003","101.47","0.003","101.06","0.003","3798.4","0.4","100.01","","100.01","","","","","","","","","7","P -1","-P 1","2","","","","- C9 H9 As Ce6 Na6 O85.75 W9 -","- C9 H9 As Ce6 Na6 O85.75 W9 -","- C18 H18 As2 Ce12 Na12 O171.5 W18 -","2","1","","Dufaye, Maxime; Duval, Sylvain; Stoclet, Gregory; Loiseau, Thierry","Influence of pH on CeIV-[AsIIIW9O33]9− association for the formation of hexanuclear cerium(iv) oxo-hydroxo-clusters stabilized by trivacant polyanions","CrystEngComm","2020","22","2","371","380","10.1039/C9CE01663E","","x-ray","0.71073","MoKα","","0.1101","0.0709","","","0.1719","0.1991","","","","","","1.056","","","","has coordinates","257464","2020-10-21","18:00:00",""
"7239599","18.4264","0.0012","19.3634","0.0012","26.7239","0.0015","105.118","0.003","98.139","0.003","112.226","0.002","8207.4","0.9","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C3 H3 As3 Ce6 Na15 O156 W27 -","- C3 H3 As3 Ce6 Na15 O156 W27 -","- C6 H6 As6 Ce12 Na30 O312 W54 -","2","1","","Dufaye, Maxime; Duval, Sylvain; Stoclet, Gregory; Loiseau, Thierry","Influence of pH on CeIV-[AsIIIW9O33]9− association for the formation of hexanuclear cerium(iv) oxo-hydroxo-clusters stabilized by trivacant polyanions","CrystEngComm","2020","22","2","371","380","10.1039/C9CE01663E","","x-ray","0.71073","MoKα","","0.1086","0.0649","","","0.1513","0.1838","","","","","","1.054","","","","has coordinates","257464","2020-10-21","18:00:00",""
"7239600","9.9965","0.0005","16.562","0.001","18.7532","0.0011","90","","90","","90","","3104.8","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","darunavir dihydrate","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl((2S,3R)-4- ((4-amino-N-isobutylphenyl)sulfonamido)-3-hydroxy-1- phenylbutan-2-yl)carbamate dihydrate","","- C27 H41 N3 O9 S -","- C27 H41 N3 O9 S -","- C108 H164 N12 O36 S4 -","4","1","","Shen, Jie; Bai, Hongzhen; Zhou, Xinbo; Liu, Jiyong; Hu, Xiurong; Chu, Paul K.; Tang, Guping","Spontaneous single-crystal to single-crystal transition with self-healing cracks involving solvent exchange","CrystEngComm","2019","21","7","1102","","10.1039/C8CE02110D","","","0.71073","MoKα","","0.0748","0.0478","","","0.106","0.1225","","","","","","1.011","","","","has coordinates","244812","2020-10-21","18:00:00",""
"7239601","9.9846","0.0005","16.6017","0.001","19.0274","0.001","90","","90","","90","","3154","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","darunavir ethanol solvate","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl((2S,3R)-4-((4-amino-N-isobutylphenyl)sulfonamido)-3-hydroxy-1-phenylbutan-2-yl)carbamate ethanol solvate","","- C29 H43 N3 O8 S -","- C29 H43 N3 O8 S -","- C116 H172 N12 O32 S4 -","4","1","","Shen, Jie; Bai, Hongzhen; Zhou, Xinbo; Liu, Jiyong; Hu, Xiurong; Chu, Paul K.; Tang, Guping","Spontaneous single-crystal to single-crystal transition with self-healing cracks involving solvent exchange","CrystEngComm","2019","21","7","1102","","10.1039/C8CE02110D","","","0.71073","MoKα","","0.1451","0.0923","","","0.1391","0.1592","","","","","","1.103","","","","has coordinates","244812","2020-10-21","18:00:00",""
"7239602","51.7838","0.0017","28.8494","0.0013","6.281","0.0002","90","","90","","90","","9383.4","0.6","291","2","291","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C48 H28 Co N6 O4 -","- C48 H28 Co N6 O4 -","- C384 H224 Co8 N48 O32 -","8","0.5","","Li, Bin; Yan, Qing-Qing; Xu, Zhi-Qiang; Xu, Ying-Bo; Yong, Guo-Ping","Tuning the interpenetration of metal‒organic frameworks through changing ligand functionality: effect on gas adsorption properties","CrystEngComm","2020","22","3","506","514","10.1039/C9CE01309A","","","1.54184","CuKα","","0.0623","0.0611","","","0.1817","0.1834","","","","","","1.061","","","","has coordinates","257498","2020-10-21","18:00:00",""
"7239603","51.726","0.005","29.1071","0.0011","6.2678","0.0003","90","","90","","90","","9436.8","1.1","291","2","291","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C48 H28 N6 O4 Zn -","- C48 H28 N6 O4 Zn -","- C384 H224 N48 O32 Zn8 -","8","0.5","","Li, Bin; Yan, Qing-Qing; Xu, Zhi-Qiang; Xu, Ying-Bo; Yong, Guo-Ping","Tuning the interpenetration of metal‒organic frameworks through changing ligand functionality: effect on gas adsorption properties","CrystEngComm","2020","22","3","506","514","10.1039/C9CE01309A","","","1.54184","CuKα","","0.0776","0.0766","","","0.2262","0.2299","","","","","","1.085","","","","has coordinates","257498","2020-10-21","18:00:00",""
"7239604","7.8353","0.0002","29.6326","0.0009","24.7561","0.0009","90","","91.232","0.003","90","","5746.6","0.3","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H30 Co2 N4 O9 -","- C48 H30 Co2 N4 O9 -","- C192 H120 Co8 N16 O36 -","4","1","","Li, Bin; Yan, Qing-Qing; Xu, Zhi-Qiang; Xu, Ying-Bo; Yong, Guo-Ping","Tuning the interpenetration of metal‒organic frameworks through changing ligand functionality: effect on gas adsorption properties","CrystEngComm","2020","22","3","506","514","10.1039/C9CE01309A","","","1.54184","CuKα","","0.078","0.0573","","","0.1517","0.1688","","","","","","0.94","","","","has coordinates","257498","2020-10-21","18:00:00",""
"7239626","10.4782","0.0006","15.198","0.0009","18.5232","0.0009","90","","114.6","0.003","90","","2682","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H16 N2 O9 Sm -","- C28 H16 N2 O9 Sm -","- C112 H64 N8 O36 Sm4 -","4","1","","Xu, Qi-Wei; Dong, Gaoyun; Cui, Ruifang; Li, Xia","3D lanthanide-coordination frameworks constructed by a ternary mixed-ligand: crystal structure, luminescence and luminescence sensing","CrystEngComm","2020","22","4","740","750","10.1039/C9CE01779H","","","0.71073","MoKα","","0.0805","0.0358","","","0.0551","0.0581","","","","","","1.039","","","","has coordinates","257459","2020-10-21","18:00:00",""
"7239627","10.415","0.0004","15.1696","0.0006","18.3689","0.0005","90","","114.362","0.002","90","","2643.72","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H16 Dy N2 O9 -","- C28 H16 Dy N2 O9 -","- C112 H64 Dy4 N8 O36 -","4","1","","Xu, Qi-Wei; Dong, Gaoyun; Cui, Ruifang; Li, Xia","3D lanthanide-coordination frameworks constructed by a ternary mixed-ligand: crystal structure, luminescence and luminescence sensing","CrystEngComm","2020","22","4","740","750","10.1039/C9CE01779H","","","0.71073","MoKα","","0.0423","0.0342","","","0.0898","0.0936","","","","","","1.093","","","","has coordinates","257459","2020-10-21","18:00:00",""
"7239628","10.4591","0.0004","15.2111","0.0006","18.4571","0.0006","90","","114.593","0.002","90","","2670.05","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H16 Gd N2 O9 -","- C28 H16 Gd N2 O9 -","- C112 H64 Gd4 N8 O36 -","4","1","","Xu, Qi-Wei; Dong, Gaoyun; Cui, Ruifang; Li, Xia","3D lanthanide-coordination frameworks constructed by a ternary mixed-ligand: crystal structure, luminescence and luminescence sensing","CrystEngComm","2020","22","4","740","750","10.1039/C9CE01779H","","","0.71073","MoKα","","0.0543","0.0376","","","0.0845","0.0902","","","","","","1.031","","","","has coordinates","257459","2020-10-21","18:00:00",""
"7239629","10.433","0.0006","15.2061","0.0009","18.4169","0.0009","90","","114.466","0.003","90","","2659.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H16 N2 O9 Tb -","- C28 H16 N2 O9 Tb -","- C112 H64 N8 O36 Tb4 -","4","1","","Xu, Qi-Wei; Dong, Gaoyun; Cui, Ruifang; Li, Xia","3D lanthanide-coordination frameworks constructed by a ternary mixed-ligand: crystal structure, luminescence and luminescence sensing","CrystEngComm","2020","22","4","740","750","10.1039/C9CE01779H","","","0.71073","MoKα","","0.057","0.0409","","","0.1015","0.1078","","","","","","1.084","","","","has coordinates","257459","2020-10-21","18:00:00",""
"7239630","10.4652","0.0004","15.1944","0.0006","18.4885","0.0006","90","","114.554","0.002","90","","2674.05","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 Eu N2 O11 -","- C28 H20 Eu N2 O11 -","- C112 H80 Eu4 N8 O44 -","4","1","","Xu, Qi-Wei; Dong, Gaoyun; Cui, Ruifang; Li, Xia","3D lanthanide-coordination frameworks constructed by a ternary mixed-ligand: crystal structure, luminescence and luminescence sensing","CrystEngComm","2020","22","4","740","750","10.1039/C9CE01779H","","","0.71073","MoKα","","0.0393","0.031","","","0.0737","0.0793","","","","","","1.032","","","","has coordinates","257459","2020-10-21","18:00:00",""
"7239634","8.1407","0.0003","8.7295","0.0003","15.6983","0.0005","78.8978","0.0011","79.5625","0.001","88.0006","0.0011","1076.6","0.06","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H50 N10 Na2 Ni O24 S2 -","- C24 H50 N10 Na2 Ni O24 S2 -","- C24 H50 N10 Na2 Ni O24 S2 -","1","0.5","","Purkayastha, Atanu; Dhar, Sourab; Mondal, Suvra Prakash; Franconetti, Antonio; Frontera, Antonio; Ganguly, Rakesh; Kirillov, Alexander M.; Misra, Tarun Kumar","Metal‒organic architectures driven by a multifunctional 6-aminouracil spacer: structures, noncovalent interactions, and conductivity","CrystEngComm","2020","22","4","829","840","10.1039/C9CE01437C","","","0.71073","MoKα","","0.0479","0.0373","","","0.086","0.092","","","","","","1.029","","","","has coordinates,has disorder","257458","2020-10-21","18:00:00",""
"7239635","35.2528","0.0006","15.7804","0.0003","13.089","0.0002","90","","109.954","0.001","90","","6844.3","0.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H36 K2 N10 O15.25 S2 -","- C24 H31 K2.002 N10 O15.25 S2 -","- C192 H248 K16.016 N80 O122 S16 -","8","1","","Purkayastha, Atanu; Dhar, Sourab; Mondal, Suvra Prakash; Franconetti, Antonio; Frontera, Antonio; Ganguly, Rakesh; Kirillov, Alexander M.; Misra, Tarun Kumar","Metal‒organic architectures driven by a multifunctional 6-aminouracil spacer: structures, noncovalent interactions, and conductivity","CrystEngComm","2020","22","4","829","840","10.1039/C9CE01437C","","","0.71073","MoKα","","0.083","0.0474","","","0.096","0.1163","","","","","","1.062","","","","has coordinates,has disorder","257458","2020-10-21","18:00:00",""
"7239636","7.7666","0.0007","10.535","0.0009","20.5005","0.0017","90","","90.853","0.003","90","","1677.2","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","rgtm30m","","","- C12 H18 N5 Na O8 S -","- C12 H18 N5 Na O8 S -","- C48 H72 N20 Na4 O32 S4 -","4","1","","Purkayastha, Atanu; Dhar, Sourab; Mondal, Suvra Prakash; Franconetti, Antonio; Frontera, Antonio; Ganguly, Rakesh; Kirillov, Alexander M.; Misra, Tarun Kumar","Metal‒organic architectures driven by a multifunctional 6-aminouracil spacer: structures, noncovalent interactions, and conductivity","CrystEngComm","2020","22","4","829","840","10.1039/C9CE01437C","","","0.71073","MoKα","","0.0767","0.0604","","","0.1285","0.1392","","","","","","1.106","","","","has coordinates,has disorder","257458","2020-10-21","18:00:00",""
"7239637","7.207","0.0014","18.958","0.004","6.43","0.0013","90","","107.09","0.03","90","","839.7","0.3","220","2","220","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Copper coordination polymer","Cu-PDA","","- C7 H7 Cu N O6 -","- C7 H7 Cu N O6 -","- C28 H28 Cu4 N4 O24 -","4","1","","Muthukumar, Pandi; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Polymorphs of a copper coordination compound: interlinking active sites enhance the electrocatalytic activity of the coordination polymer compared to the coordination complex","CrystEngComm","2020","22","3","425","429","10.1039/C9CE01698H","","","0.61","synchrotron","","0.0346","0.033","","","0.0968","0.0976","","","","","","1.122","","","","has coordinates","257496","2020-10-21","18:00:00",""
"7239638","14.582","0.004","15.677","0.005","25.158","0.008","87.217","0.006","75.768","0.006","78.204","0.007","5457","3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C102 H106 Cl4 Cu4 Mn2 N22 O29 -","- C102 H100 Cl4 Cu4 Mn2 N22 O29 -","- C204 H200 Cl8 Cu8 Mn4 N44 O58 -","2","1","","Kianimehr, Ashkan; Akhbari, Kamran; White, Jonathan; Phuruangrat, Anukorn","The mechanochemical conversion of potassium coordination polymer nanostructures to interpenetrated sodium coordination polymers with halogen bond, metal‒carbon and metal‒metal interactions","CrystEngComm","2020","22","5","888","894","10.1039/C9CE01861A","","","0.71073","MoKα","","0.3005","0.0834","","","0.1701","0.2585","","","","","","0.937","","","","has coordinates","257448","2020-10-21","18:00:00",""
"7239639","12.3021","0.0004","12.3021","0.0004","42.415","0.002","90","","90","","90","","6419.2","0.4","130","0.1","130","0.1","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C8 H8 Br4 Na2 O8 -","- C8 H8 Br4 Na2 O8 -","- C128 H128 Br64 Na32 O128 -","16","1","","Kianimehr, Ashkan; Akhbari, Kamran; White, Jonathan; Phuruangrat, Anukorn","The mechanochemical conversion of potassium coordination polymer nanostructures to interpenetrated sodium coordination polymers with halogen bond, metal‒carbon and metal‒metal interactions","CrystEngComm","2020","22","5","888","894","10.1039/C9CE01861A","","x-ray","0.71073","MoKα","","0.0444","0.0364","","","0.0864","0.0903","","","","","","1.02","","","","has coordinates","257448","2020-10-21","18:00:00",""
"7239646","7.3955","0.0005","9.6559","0.0007","22.6536","0.0015","90","","96.448","0.002","90","","1607.47","0.19","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H23 N3 O2 -","- C16 H23 N3 O2 -","- C64 H92 N12 O8 -","4","1","","Gurbanov, Atash V.; Kuznetsov, Maxim L.; Demukhamedova, Svetlana D.; Alieva, Irada N.; Godjaev, Niftali M.; Zubkov, Fedor I.; Mahmudov, Kamran T.; Pombeiro, Armando J. L.","Role of substituents on resonance assisted hydrogen bonding vs. intermolecular hydrogen bonding","CrystEngComm","2020","22","4","628","633","10.1039/C9CE01744E","","","0.71073","MoKα","","0.074","0.0508","","","0.1354","0.1507","","","","","","1.017","","","","has coordinates","257456","2020-10-21","18:00:00",""
"7239647","7.4907","0.0006","9.7684","0.0008","10.3754","0.001","88.424","0.003","75.466","0.003","86.31","0.003","733.32","0.11","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H19 N3 O2 -","- C14 H19 N3 O2 -","- C28 H38 N6 O4 -","2","1","","Gurbanov, Atash V.; Kuznetsov, Maxim L.; Demukhamedova, Svetlana D.; Alieva, Irada N.; Godjaev, Niftali M.; Zubkov, Fedor I.; Mahmudov, Kamran T.; Pombeiro, Armando J. L.","Role of substituents on resonance assisted hydrogen bonding vs. intermolecular hydrogen bonding","CrystEngComm","2020","22","4","628","633","10.1039/C9CE01744E","","","0.71073","MoKα","","0.0616","0.0467","","","0.1271","0.1414","","","","","","1.05","","","","has coordinates","257456","2020-10-21","18:00:00",""
"7239648","7.5227","0.0003","15.5942","0.0006","13.0925","0.0005","90","","94.426","0.002","90","","1531.31","0.1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 N3 O4.08 -","- C15 H19 N3 O4.079 -","- C60 H76 N12 O16.316 -","4","1","","Gurbanov, Atash V.; Kuznetsov, Maxim L.; Demukhamedova, Svetlana D.; Alieva, Irada N.; Godjaev, Niftali M.; Zubkov, Fedor I.; Mahmudov, Kamran T.; Pombeiro, Armando J. L.","Role of substituents on resonance assisted hydrogen bonding vs. intermolecular hydrogen bonding","CrystEngComm","2020","22","4","628","633","10.1039/C9CE01744E","","","0.71073","MoKα","","0.0527","0.0417","","","0.1177","0.1292","","","","","","0.919","","","","has coordinates,has disorder","257456","2020-10-21","18:00:00",""
"7239649","7.6003","0.0004","19.5864","0.0012","10.5405","0.0006","90","","93.758","0.002","90","","1565.71","0.15","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H18 N4 O2 -","- C15 H18 N4 O2 -","- C60 H72 N16 O8 -","4","2","","Gurbanov, Atash V.; Kuznetsov, Maxim L.; Demukhamedova, Svetlana D.; Alieva, Irada N.; Godjaev, Niftali M.; Zubkov, Fedor I.; Mahmudov, Kamran T.; Pombeiro, Armando J. L.","Role of substituents on resonance assisted hydrogen bonding vs. intermolecular hydrogen bonding","CrystEngComm","2020","22","4","628","633","10.1039/C9CE01744E","","","0.71073","MoKα","","0.0506","0.0379","","","0.091","0.0994","","","","","","1.027","","","","has coordinates","257456","2020-10-21","18:00:00",""
"7239650","17.998","0.002","7.5198","0.0009","18.74","0.002","90","","97.185","0.003","90","","2516.4","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 Cl N3 O2 -","- C12 H14 Cl N3 O2 -","- C96 H112 Cl8 N24 O16 -","8","2","","Gurbanov, Atash V.; Kuznetsov, Maxim L.; Demukhamedova, Svetlana D.; Alieva, Irada N.; Godjaev, Niftali M.; Zubkov, Fedor I.; Mahmudov, Kamran T.; Pombeiro, Armando J. L.","Role of substituents on resonance assisted hydrogen bonding vs. intermolecular hydrogen bonding","CrystEngComm","2020","22","4","628","633","10.1039/C9CE01744E","","","0.71073","MoKα","","0.0691","0.0489","","","0.1075","0.1148","","","","","","1.047","","","","has coordinates","257456","2020-10-21","18:00:00",""
"7239651","8.4198","0.0003","10.7476","0.0003","16.418","0.0004","85.635","0.002","76.008","0.002","71.521","0.003","1367.3","0.08","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C17 H36 K2 N2 O7 S4 -","- C17 H36 K2 N2 O7 S4 -","- C34 H72 K4 N4 O14 S8 -","2","1","","Arenaza-Corona, Antonino; Villamil-Ramos, Raúl; Guerrero-Álvarez, Jorge; Höpfl, Herbert; Barba, Victor","Bis-Dithiocarbamates derived from 1,10-diaza-18-crown-6 as ligand tectons for 1D, 2D and 3D supramolecular structure arrangements","CrystEngComm","2020","22","6","1063","1077","10.1039/C9CE01755K","","x-ray","1.54184","CuKα","","0.027","0.0261","","","0.0664","0.0672","","","","","","1.062","","","","has coordinates","257475","2020-10-21","18:00:00",""
"7239652","13.2315","0.0004","18.1852","0.0006","10.9088","0.0004","90","","97.753","0.003","90","","2600.85","0.15","99.99","0.1","99.99","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H32 N2 O6 Rb2 S4 -","- C16 H32 N2 O6 Rb2 S4 -","- C64 H128 N8 O24 Rb8 S16 -","4","0.5","","Arenaza-Corona, Antonino; Villamil-Ramos, Raúl; Guerrero-Álvarez, Jorge; Höpfl, Herbert; Barba, Victor","Bis-Dithiocarbamates derived from 1,10-diaza-18-crown-6 as ligand tectons for 1D, 2D and 3D supramolecular structure arrangements","CrystEngComm","2020","22","6","1063","1077","10.1039/C9CE01755K","","x-ray","0.71073","MoKα","","0.0432","0.0317","","","0.0551","0.0583","","","","","","1.04","","","","has coordinates","257475","2020-10-21","18:00:00",""
"7239653","8.5349","0.0006","10.0169","0.0009","11.851","0.0007","101.882","0.007","101.773","0.006","107.864","0.007","904.01","0.13","99.98","0.11","99.98","0.11","","","","","","","","6","P -1","-P 1","2","","","","- C13 H25 N2 O4 Rb S2 -","- C13 H25 N2 O4 Rb S2 -","- C26 H50 N4 O8 Rb2 S4 -","2","1","","Arenaza-Corona, Antonino; Villamil-Ramos, Raúl; Guerrero-Álvarez, Jorge; Höpfl, Herbert; Barba, Victor","Bis-Dithiocarbamates derived from 1,10-diaza-18-crown-6 as ligand tectons for 1D, 2D and 3D supramolecular structure arrangements","CrystEngComm","2020","22","6","1063","1077","10.1039/C9CE01755K","","x-ray","0.71073","MoKα","","0.0493","0.0374","","","0.0646","0.069","","","","","","1.054","","","","has coordinates","257475","2020-10-21","18:00:00",""
"7239654","9.218","0.002","9.96","0.002","11.516","0.002","107.997","0.003","97.814","0.004","112.553","0.003","888.8","0.3","295.15","0.02","295.15","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H28 N2 O2 S2 -","- C13 H28 N2 O2 S2 -","- C26 H56 N4 O4 S4 -","2","1","","Arenaza-Corona, Antonino; Villamil-Ramos, Raúl; Guerrero-Álvarez, Jorge; Höpfl, Herbert; Barba, Victor","Bis-Dithiocarbamates derived from 1,10-diaza-18-crown-6 as ligand tectons for 1D, 2D and 3D supramolecular structure arrangements","CrystEngComm","2020","22","6","1063","1077","10.1039/C9CE01755K","","","0.71073","MoKα","","0.0657","0.0561","","","0.1394","0.1453","","","","","","1.056","","","","has coordinates","257475","2020-10-21","18:00:00",""
"7239655","7.7711","0.0004","9.8984","0.0004","13.0562","0.0005","68.661","0.004","76.137","0.004","76.487","0.004","896.21","0.07","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C13 H28 N2 O5 S2 -","- C13 H28 N2 O5 S2 -","- C26 H56 N4 O10 S4 -","2","1","","Arenaza-Corona, Antonino; Villamil-Ramos, Raúl; Guerrero-Álvarez, Jorge; Höpfl, Herbert; Barba, Victor","Bis-Dithiocarbamates derived from 1,10-diaza-18-crown-6 as ligand tectons for 1D, 2D and 3D supramolecular structure arrangements","CrystEngComm","2020","22","6","1063","1077","10.1039/C9CE01755K","","x-ray","1.54184","CuKα","","0.0745","0.0721","","","0.2053","0.2063","","","","","","1.256","","","","has coordinates","257475","2020-10-21","18:00:00",""
"7239656","10.2515","0.0005","10.3826","0.0005","13.8953","0.0006","84.941","0.004","88.977","0.004","60.813","0.005","1285.63","0.12","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C16 H32 Cs2 N2 O6 S4 -","- C16 H32 Cs2 N2 O6 S4 -","- C32 H64 Cs4 N4 O12 S8 -","2","1","","Arenaza-Corona, Antonino; Villamil-Ramos, Raúl; Guerrero-Álvarez, Jorge; Höpfl, Herbert; Barba, Victor","Bis-Dithiocarbamates derived from 1,10-diaza-18-crown-6 as ligand tectons for 1D, 2D and 3D supramolecular structure arrangements","CrystEngComm","2020","22","6","1063","1077","10.1039/C9CE01755K","","x-ray","0.71073","MoKα","","0.0393","0.0324","","","0.0559","0.0593","","","","","","1.027","","","","has coordinates","257475","2020-10-21","18:00:00",""
"7239657","29.002","0.003","17.6197","0.0015","16.9351","0.0015","90","","90","","90","","8653.9","1.4","175","2","175","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C36 H44 Cu10 I8 N8 O10 -","- C36 H44 Cu10 I8 N8 O10 -","- C144 H176 Cu40 I32 N32 O40 -","4","0.25","","Liu, Jin-Hua; Zhang, Jing; Zhao, Dan; Lin, Li-Dan; Sun, Yan-Qiong; Li, Xin-Xiong; Zheng, Shou-Tian","The incorporation of heterovalent copper-oxo and copper-halide clusters for the fabrication of three porous cluster organic frameworks: syntheses, structures and iodine adsorption/release study","CrystEngComm","2020","22","4","821","828","10.1039/C9CE01745C","","","0.71073","MoKα","","0.0384","0.0315","","","0.0896","0.0926","","","","","","1.05","","","","has coordinates","257452","2020-10-21","18:00:00",""
"7239658","63.596","0.002","19.6651","0.0007","41.5695","0.0014","90","","130.571","0.001","90","","39490","2","175","2","175","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C112 H80 Cu8 I4 N8 O16 -","- C112 H80 Cu8 I4 N8 O16 -","- C896 H640 Cu64 I32 N64 O128 -","8","1","","Liu, Jin-Hua; Zhang, Jing; Zhao, Dan; Lin, Li-Dan; Sun, Yan-Qiong; Li, Xin-Xiong; Zheng, Shou-Tian","The incorporation of heterovalent copper-oxo and copper-halide clusters for the fabrication of three porous cluster organic frameworks: syntheses, structures and iodine adsorption/release study","CrystEngComm","2020","22","4","821","828","10.1039/C9CE01745C","","","1.54178","CuKα","","0.0973","0.0894","","","0.3184","0.3334","","","","","","1.065","","","","has coordinates","257452","2020-10-21","18:00:00",""
"7239659","49.2699","0.0009","49.2699","0.0009","35.3426","0.0014","90","","90","","120","","74301","4","175","2","175","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C24 H20 Cu6 I4 N4 O10 -","- C24 H20 Cu6 I4 N4 O10 -","- C432 H360 Cu108 I72 N72 O180 -","18","0.5","","Liu, Jin-Hua; Zhang, Jing; Zhao, Dan; Lin, Li-Dan; Sun, Yan-Qiong; Li, Xin-Xiong; Zheng, Shou-Tian","The incorporation of heterovalent copper-oxo and copper-halide clusters for the fabrication of three porous cluster organic frameworks: syntheses, structures and iodine adsorption/release study","CrystEngComm","2020","22","4","821","828","10.1039/C9CE01745C","","","1.54178","CuKα","","0.1111","0.0684","","","0.1879","0.2071","","","","","","1.003","","","","has coordinates","257452","2020-10-21","18:00:00",""
"7239660","12.6209","0.0006","15.82","0.0004","30.3571","0.0015","90","","90","","90","","6061.2","0.4","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","cucurbit[6]uril/dopamine metastable complex","","","- C44 H75 Cl N25 O27.5 -","- C44 H48 Cl N25 O27.5 -","- C176 H192 Cl4 N100 O110 -","4","1","","Danylyuk, Oksana; Worzakowska, Marta; Osypiuk-Tomasik, Joanna; Sashuk, Volodymyr; Kedra-Krolik, Karolina","Solution-mediated and single-crystal to single-crystal transformations of cucurbit[6]uril host‒guest complexes with dopamine","CrystEngComm","2020","22","4","634","638","10.1039/C9CE01743G","","","1.54184","CuKα","","0.1136","0.0947","","","0.257","0.282","","","","","","1.019","","","","has coordinates,has disorder","257460","2020-10-21","18:00:00",""
"7239661","50.711","0.002","50.711","0.002","12.5325","0.0008","90","","90","","120","","27911","2","100","0.1","100","0.1","","","","","","","","5","R -3 :H","-R 3","148","cucurbit[6]uril/dopamine complex","","","- C44 H76 Cl N25 O28 -","- C44 H48 Cl N25 O27.916 -","- C792 H864 Cl18 N450 O502.488 -","18","1","","Danylyuk, Oksana; Worzakowska, Marta; Osypiuk-Tomasik, Joanna; Sashuk, Volodymyr; Kedra-Krolik, Karolina","Solution-mediated and single-crystal to single-crystal transformations of cucurbit[6]uril host‒guest complexes with dopamine","CrystEngComm","2020","22","4","634","638","10.1039/C9CE01743G","","","1.54184","CuKα","","0.1104","0.0938","","","0.2792","0.3057","","","","","","1.105","","","","has coordinates,has disorder","257460","2020-10-21","18:00:00",""
"7239662","48.442","0.002","48.442","0.002","12.4117","0.0004","90","","90","","120","","25223.5","1.7","100","0.1","100","0.1","","","","","","","","5","R -3 :H","-R 3","148","'cucurbit[6]uril/dopamine complex - dried in air'","","","- C44 H62.67 Cl N25 O21.33 -","- C44 H48 Cl N25 O20.9493 -","- C792 H864 Cl18 N450 O377.088 -","18","1","","Danylyuk, Oksana; Worzakowska, Marta; Osypiuk-Tomasik, Joanna; Sashuk, Volodymyr; Kedra-Krolik, Karolina","Solution-mediated and single-crystal to single-crystal transformations of cucurbit[6]uril host‒guest complexes with dopamine","CrystEngComm","2020","22","4","634","638","10.1039/C9CE01743G","","","1.54184","CuKα","","0.1379","0.1165","","","0.3189","0.3422","","","","","","1.129","","","","has coordinates,has disorder","257460","2020-10-21","18:00:00",""
"7239666","11.5531","0.0015","14.3534","0.0017","19.165","0.002","90","","102.03","0.003","90","","3108.3","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33.4 H36.2 Cd N4 O4.7 -","- C33.4 H36.2 Cd N4 O4.7 -","- C133.6 H144.8 Cd4 N16 O18.8 -","4","0.5","","Shi, Yong-Sheng; Li, Yue-Hua; Cui, Guang-Hua; Dong, Gui-Ying","New two-dimensional Cd(ii) coordination networks bearing benzimidazolyl-based linkers as bifunctional chemosensors for the detection of acetylacetone and Fe3+","CrystEngComm","2020","22","5","905","914","10.1039/C9CE01819K","","","0.71073","MoKα","","0.0705","0.0609","","","0.1781","0.1918","","","","","","1.089","","","","has coordinates,has disorder","257447","2020-10-21","18:00:00",""
"7239667","6.7975","0.0008","11.3175","0.0013","14.7971","0.0017","70.989","0.002","77.811","0.002","87.456","0.002","1051.6","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H20 Cd N2 O5 -","- C23 H20 Cd N2 O5 -","- C46 H40 Cd2 N4 O10 -","2","1","","Shi, Yong-Sheng; Li, Yue-Hua; Cui, Guang-Hua; Dong, Gui-Ying","New two-dimensional Cd(ii) coordination networks bearing benzimidazolyl-based linkers as bifunctional chemosensors for the detection of acetylacetone and Fe3+","CrystEngComm","2020","22","5","905","914","10.1039/C9CE01819K","","","0.71073","MoKα","","0.0227","0.0209","","","0.0583","0.0594","","","","","","1.006","","","","has coordinates,has disorder","257447","2020-10-21","18:00:00",""
"7239669","18.4449","0.001","10.4561","0.0005","3.8127","0.0002","90","","93.617","0.002","90","","733.86","0.07","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C14 H10 F Ga N2 O8 -","- C14 H10 F Ga N2 O8 -","- C28 H20 F2 Ga2 N4 O16 -","2","0.25","","Wu, Junbiao; Lou, Luqi; Sun, Huaying; Tao, Chunyao; Li, Teng; Wang, Zhuopeng; Zhang, Xia; Li, Jiyang","Photochromic inorganic‒organic complex derived from low-cost deep eutectic solvents with tunable photocurrent responses and photocatalytic properties","CrystEngComm","2020","22","6","1078","1085","10.1039/C9CE01727E","","","0.71073","MoKα","","0.0269","0.0268","","","0.0677","0.0678","","","","","","1.176","","","","has coordinates","257474","2020-10-21","18:00:00",""
"7239671","11.143","0.006","14.102","0.007","16.943","0.009","105.376","0.008","96.152","0.009","105.879","0.009","2422","2","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C78 H46 Cd3 N4 O18 -","- C78 H46 Cd3 N4 O18 -","- C78 H46 Cd3 N4 O18 -","1","0.5","","Zhang, Jie; Zhou, Wendi; Zhai, Lijun; Niu, Xiaoyan; Hu, Tuoping","A stable dual-emitting dye@LMOF luminescence probe for the rapid and visible detection of organophosphorous pesticides in aqueous media","CrystEngComm","2020","22","6","1050","1056","10.1039/C9CE01846H","","","0.71073","MoKα","","0.0994","0.0477","","","0.1075","0.1263","","","","","","0.887","","","","has coordinates","257472","2020-10-21","18:00:00",""
"7239672","9.582","0.0009","14.7653","0.0013","16.1241","0.0012","90","","90","","90","","2281.3","0.3","192","2","192","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 Cl2 Mn N9 O4 -","- C17 H21 Cl2 Mn N9 O4 -","- C68 H84 Cl8 Mn4 N36 O16 -","4","1","","Matsushima, Misaki; Wada, Koki; Horino, Yuki; Takahara, Kazuma; Sunatsuki, Yukinari; Suzuki, Takayoshi","Transition-metal(ii) complexes with a tripodal hexadentate ligand, 1,1,1-tris[2-aza-3-(imidazol-4-yl)prop-2-enyl]ethane, exhibiting incomplete total or absolute spontaneous resolution","CrystEngComm","2020","22","3","458","466","10.1039/C9CE01864F","","","0.71075","MoKα","","0.0306","0.0295","","","0.0726","0.0733","","","","","","1.048","","","","has coordinates","257490","2020-10-21","18:00:00",""
"7239673","9.5465","0.0006","14.6856","0.001","15.9616","0.0012","90","","90","","90","","2237.8","0.3","192","2","192","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 Cl2 Co N9 O4 -","- C17 H21 Cl2 Co N9 O4 -","- C68 H84 Cl8 Co4 N36 O16 -","4","1","","Matsushima, Misaki; Wada, Koki; Horino, Yuki; Takahara, Kazuma; Sunatsuki, Yukinari; Suzuki, Takayoshi","Transition-metal(ii) complexes with a tripodal hexadentate ligand, 1,1,1-tris[2-aza-3-(imidazol-4-yl)prop-2-enyl]ethane, exhibiting incomplete total or absolute spontaneous resolution","CrystEngComm","2020","22","3","458","466","10.1039/C9CE01864F","","","0.71075","MoKα","","0.0271","0.0248","","","0.06","0.0613","","","","","","1.048","","","","has coordinates","257490","2020-10-21","18:00:00",""
"7239674","9.396","0.004","14.669","0.006","16.074","0.007","90","","90","","90","","2215.5","1.6","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 Cl2 Fe N9 O4 -","- C17 H21 Cl2 Fe N9 O4 -","- C68 H84 Cl8 Fe4 N36 O16 -","4","1","","Matsushima, Misaki; Wada, Koki; Horino, Yuki; Takahara, Kazuma; Sunatsuki, Yukinari; Suzuki, Takayoshi","Transition-metal(ii) complexes with a tripodal hexadentate ligand, 1,1,1-tris[2-aza-3-(imidazol-4-yl)prop-2-enyl]ethane, exhibiting incomplete total or absolute spontaneous resolution","CrystEngComm","2020","22","3","458","466","10.1039/C9CE01864F","","","0.71075","MoKα","","0.0351","0.0312","","","0.0741","0.0765","","","","","","0.992","","","","has coordinates","257490","2020-10-21","18:00:00",""
"7239675","10.2032","0.0003","12.8833","0.0005","19.1031","0.0006","80.2128","0.0017","79.7746","0.0012","80.6301","0.0016","2412.39","0.14","192","2","192","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H44 Cl4 Fe2 N18 O17 -","- C34 H42 Cl4 Fe2 N18 O17 -","- C68 H84 Cl8 Fe4 N36 O34 -","2","1","","Matsushima, Misaki; Wada, Koki; Horino, Yuki; Takahara, Kazuma; Sunatsuki, Yukinari; Suzuki, Takayoshi","Transition-metal(ii) complexes with a tripodal hexadentate ligand, 1,1,1-tris[2-aza-3-(imidazol-4-yl)prop-2-enyl]ethane, exhibiting incomplete total or absolute spontaneous resolution","CrystEngComm","2020","22","3","458","466","10.1039/C9CE01864F","","","0.71075","MoKα","","0.0623","0.0576","","","0.1663","0.1719","","","","","","1.019","","","","has coordinates","257490","2020-10-21","18:00:00",""
"7239676","9.4888","0.0007","14.7278","0.0009","15.9298","0.001","90","","90","","90","","2226.2","0.3","192","2","192","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 Cl2 N9 Ni O4 -","- C17 H21 Cl2 N9 Ni O4 -","- C68 H84 Cl8 N36 Ni4 O16 -","4","1","","Matsushima, Misaki; Wada, Koki; Horino, Yuki; Takahara, Kazuma; Sunatsuki, Yukinari; Suzuki, Takayoshi","Transition-metal(ii) complexes with a tripodal hexadentate ligand, 1,1,1-tris[2-aza-3-(imidazol-4-yl)prop-2-enyl]ethane, exhibiting incomplete total or absolute spontaneous resolution","CrystEngComm","2020","22","3","458","466","10.1039/C9CE01864F","","","0.71075","MoKα","","0.0242","0.0228","","","0.0548","0.0553","","","","","","1.058","","","","has coordinates","257490","2020-10-21","18:00:00",""
"7239677","9.5605","0.0008","14.6922","0.0011","15.96","0.0014","90","","90","","90","","2241.8","0.3","192","2","192","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 Cl2 N9 O4 Zn -","- C17 H21 Cl2 N9 O4 Zn -","- C68 H84 Cl8 N36 O16 Zn4 -","4","1","","Matsushima, Misaki; Wada, Koki; Horino, Yuki; Takahara, Kazuma; Sunatsuki, Yukinari; Suzuki, Takayoshi","Transition-metal(ii) complexes with a tripodal hexadentate ligand, 1,1,1-tris[2-aza-3-(imidazol-4-yl)prop-2-enyl]ethane, exhibiting incomplete total or absolute spontaneous resolution","CrystEngComm","2020","22","3","458","466","10.1039/C9CE01864F","","","0.71075","MoKα","","0.0727","0.0462","","","0.0835","0.0956","","","","","","1.015","","","","has coordinates","257490","2020-10-21","18:00:00",""
"7239678","4.7829","0.0014","11.669","0.004","21.83","0.007","90","","93.778","0.012","90","","1215.7","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","salicylic acid/1,2-Phenylendiamine","","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C52 H56 N8 O12 -","4","1","","Tier, Aniele Z.; Wust, Keli M.; Vieira, Jean C. B.; Sardo, Mariana; Čendak, Tomaž; Mafra, Luís; Rocha, João; Gindri, Izabelle M.; Hörner, Manfredo; Frizzo, Clarissa P.","Nature of the multicomponent crystal of salicylic acid and 1,2-phenylenediamine","CrystEngComm","2020","22","4","708","719","10.1039/C9CE01650C","","","0.71073","MoKα","","0.0544","0.0393","","","0.0993","0.1084","","","","","","1.043","","","","has coordinates","257455","2020-10-21","18:00:00",""
"7239679","27.453","0.006","16.474","0.003","20.208","0.004","90","","104.43","0.03","90","","8851","3","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C68 H56 Ce Cu6 I9 N8 O12 -","- C68 H48 Ce Cu6 I9 N8 O12 -","- C272 H192 Ce4 Cu24 I36 N32 O48 -","4","1","","Liu, Jian-Jun; You, Ming-Hua; Li, Meng-Hua; Huang, Chang-Cang; Lin, Mei-Jin","A heterometallic D‒A hybrid heterostructural framework with enhanced visible-light photocatalytic properties","CrystEngComm","2020","22","3","420","424","10.1039/C9CE01582E","","","0.71073","MoKα","","0.1421","0.0703","","","0.1639","0.1951","","","","","","1.056","","","","has coordinates","257493","2020-10-21","18:00:00",""
"7239680","6.5011","0.0008","10.2497","0.0012","11.0964","0.0013","97.74","0.01","99.84","0.011","90.131","0.01","721.64","0.15","293","2","293.15","","","","","","","","","4","P -1","-P 1","2","CBNT","carbohydrazide bis[3-(5-nitroimino-1,2,4-triazolate)]","","- C5 H14 N14 O7 -","- C5 H14 N14 O7 -","- C10 H28 N28 O14 -","2","1","","Ren, Jianrong; Chen, Dong; Liu, Guangrui; Wang, Kangcai; Fan, Guijuan; Yu, Yanwu; Zhang, Chaoyang; Li, Hongzhen","Crystal structure evolution of the high energetic compound carbonic dihydrazidinium bis[3-(5-nitroimino-1,2,4-triazolate)] induced by solvents","CrystEngComm","2020","22","3","593","601","10.1039/C9CE01329F","","x-ray","0.71073","MoKα","","0.1036","0.0597","","","0.1394","0.1664","","","","","","1.054","","","","has coordinates","257497","2020-10-21","18:00:00",""
"7239681","6.0311","0.0002","6.9489","0.0002","11.1061","0.0004","77.437","0.001","89.786","0.001","75.146","0.001","438.46","0.03","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H22 N12 O6 -","- C8 H22 N12 O6 -","- C8 H22 N12 O6 -","1","0.5","","Ren, Jianrong; Chen, Dong; Liu, Guangrui; Wang, Kangcai; Fan, Guijuan; Yu, Yanwu; Zhang, Chaoyang; Li, Hongzhen","Crystal structure evolution of the high energetic compound carbonic dihydrazidinium bis[3-(5-nitroimino-1,2,4-triazolate)] induced by solvents","CrystEngComm","2020","22","3","593","601","10.1039/C9CE01329F","","","0.71073","MoKα","","0.0396","0.0353","","","0.0905","0.0947","","","","","","1.027","","","","has coordinates","257497","2020-10-21","18:00:00",""
"7239682","5.246","0.0002","17.8848","0.0007","6.3117","0.0002","90","","112.398","0.002","90","","547.51","0.04","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H8 N10 O6 -","- C4 H8 N10 O6 -","- C8 H16 N20 O12 -","2","0.5","","Ren, Jianrong; Chen, Dong; Liu, Guangrui; Wang, Kangcai; Fan, Guijuan; Yu, Yanwu; Zhang, Chaoyang; Li, Hongzhen","Crystal structure evolution of the high energetic compound carbonic dihydrazidinium bis[3-(5-nitroimino-1,2,4-triazolate)] induced by solvents","CrystEngComm","2020","22","3","593","601","10.1039/C9CE01329F","","","0.71073","MoKα","","0.037","0.0342","","","0.0877","0.0904","","","","","","1.058","","","","has coordinates","257497","2020-10-21","18:00:00",""
"7239683","12.991","0.0007","4.6699","0.0002","14.4974","0.0007","90","","95.171","0.002","90","","875.93","0.07","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","H2BNT.2DMSO","","","- C8 H16 N10 O6 S2 -","- C8 H16 N10 O6 S2 -","- C16 H32 N20 O12 S4 -","2","0.5","","Ren, Jianrong; Chen, Dong; Liu, Guangrui; Wang, Kangcai; Fan, Guijuan; Yu, Yanwu; Zhang, Chaoyang; Li, Hongzhen","Crystal structure evolution of the high energetic compound carbonic dihydrazidinium bis[3-(5-nitroimino-1,2,4-triazolate)] induced by solvents","CrystEngComm","2020","22","3","593","601","10.1039/C9CE01329F","","","0.71073","MoKα","","0.0482","0.0431","","","0.1215","0.1267","","","","","","1.047","","","","has coordinates","257497","2020-10-21","18:00:00",""
"7239684","23.5305","0.0006","18.3481","0.0005","22.9597","0.0006","90","","110.077","0.0012","90","","9310.3","0.4","296","2","296.15","","","","","","","","","6","C 1 2/n 1","-C 2yac","15","","","","- C37 H29 Co2 N7 O11 Si -","- C37 H29 Co2 N7 O11 Si -","- C296 H232 Co16 N56 O88 Si8 -","8","1","","Sun, Jing; Zhou, Tao; Pan, Dalong; Zhang, Xinzhu; Wang, Yuying; Shi, Yao-Cheng; Yu, Huaguang","Synthesis, structure, and photoluminescence properties of coordination polymers of 4,4′,4′′,4′′′-tetrakiscarboxyphenylsilane and 3,5-bis(1′,2′,4′-triazol-1′-yl)pyridine","CrystEngComm","2020","22","3","534","545","10.1039/C9CE01529A","","","0.71073","MoKα","","0.0547","0.0415","","","0.1131","0.1223","","","","","","1.04","","","","has coordinates","257495","2020-10-21","18:00:00",""
"7239685","13.1934","0.0007","25.825","0.0014","23.1357","0.0012","90","","91.599","0.003","90","","7879.7","0.7","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C65 H53 Co3 N7 O22 Si2 -","- C65 H53 Co3 N7 O22 Si2 -","- C260 H212 Co12 N28 O88 Si8 -","4","1","","Sun, Jing; Zhou, Tao; Pan, Dalong; Zhang, Xinzhu; Wang, Yuying; Shi, Yao-Cheng; Yu, Huaguang","Synthesis, structure, and photoluminescence properties of coordination polymers of 4,4′,4′′,4′′′-tetrakiscarboxyphenylsilane and 3,5-bis(1′,2′,4′-triazol-1′-yl)pyridine","CrystEngComm","2020","22","3","534","545","10.1039/C9CE01529A","","","0.71073","MoKα","","0.0667","0.0464","","","0.12","0.1332","","","","","","1.019","","","","has coordinates,has disorder","257495","2020-10-21","18:00:00",""
"7239686","13.3181","0.0012","26.176","0.003","23.309","0.0019","90","","93.237","0.003","90","","8112.9","1.4","295","","295","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C65 H53 Cd3 N7 O22 Si2 -","- C65 H53 Cd3 N7 O22 Si2 -","- C260 H212 Cd12 N28 O88 Si8 -","4","1","","Sun, Jing; Zhou, Tao; Pan, Dalong; Zhang, Xinzhu; Wang, Yuying; Shi, Yao-Cheng; Yu, Huaguang","Synthesis, structure, and photoluminescence properties of coordination polymers of 4,4′,4′′,4′′′-tetrakiscarboxyphenylsilane and 3,5-bis(1′,2′,4′-triazol-1′-yl)pyridine","CrystEngComm","2020","22","3","534","545","10.1039/C9CE01529A","","","0.71073","MoKα","","0.0792","0.0477","","","0.1201","0.1303","","","","","","1.07","","","","has coordinates,has disorder","257495","2020-10-21","18:00:00",""
"7239687","10.539","0.0003","15.4431","0.0004","11.3497","0.0003","90","","105.214","0.001","90","","1782.48","0.08","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H27 N O3 S -","- C19 H27 N O3 S -","- C76 H108 N4 O12 S4 -","4","1","","Voronin, Alexander P.; Volkova, Tatyana V.; Ilyukhin, Andrey B.; Proshin, Alexey N.; Perlovich, German L.","Substituent effect on the packing architecture of adamantane and memantine derivatives of sulfonamide molecular crystals","CrystEngComm","2020","22","2","349","360","10.1039/C9CE01750J","","","0.71073","MoKα","","0.045","0.0368","","","0.0965","0.1025","","","","","","1.012","","","","has coordinates","257469","2020-10-21","18:00:00",""
"7239688","14.9094","0.0006","12.1019","0.0005","10.5363","0.0005","90","","107.758","0.001","90","","1810.51","0.14","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 N2 O4 S -","- C18 H24 N2 O4 S -","- C72 H96 N8 O16 S4 -","4","1","","Voronin, Alexander P.; Volkova, Tatyana V.; Ilyukhin, Andrey B.; Proshin, Alexey N.; Perlovich, German L.","Substituent effect on the packing architecture of adamantane and memantine derivatives of sulfonamide molecular crystals","CrystEngComm","2020","22","2","349","360","10.1039/C9CE01750J","","","0.71073","MoKα","","0.0466","0.0372","","","0.0986","0.1052","","","","","","1.04","","","","has coordinates","257469","2020-10-21","18:00:00",""
"7239689","9.4774","0.0004","12.916","0.0006","15.3582","0.0007","90","","99.847","0.001","90","","1852.3","0.14","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H24 F3 N O2 S -","- C19 H24 F3 N O2 S -","- C76 H96 F12 N4 O8 S4 -","4","1","","Voronin, Alexander P.; Volkova, Tatyana V.; Ilyukhin, Andrey B.; Proshin, Alexey N.; Perlovich, German L.","Substituent effect on the packing architecture of adamantane and memantine derivatives of sulfonamide molecular crystals","CrystEngComm","2020","22","2","349","360","10.1039/C9CE01750J","","","0.71073","MoKα","","0.0455","0.0367","","","0.1086","0.1157","","","","","","1.045","","","","has coordinates","257469","2020-10-21","18:00:00",""
"7239690","19.645","0.004","15.735","0.003","14.349","0.003","90","","114.347","0.007","90","","4041","1.4","350","2","350","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H28 N2 O3 S -","- C20 H28 N2 O3 S -","- C160 H224 N16 O24 S8 -","8","1","","Voronin, Alexander P.; Volkova, Tatyana V.; Ilyukhin, Andrey B.; Proshin, Alexey N.; Perlovich, German L.","Substituent effect on the packing architecture of adamantane and memantine derivatives of sulfonamide molecular crystals","CrystEngComm","2020","22","2","349","360","10.1039/C9CE01750J","","","0.71073","MoKα","","0.0767","0.0533","","","0.1496","0.1646","","","","","","1.122","","","","has coordinates","257469","2020-10-21","18:00:00",""
"7239691","18.8607","0.0008","15.592","0.0007","14.1742","0.0006","90","","109.206","0.001","90","","3936.3","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 N2 O3 S -","- C20 H28 N2 O3 S -","- C160 H224 N16 O24 S8 -","8","2","","Voronin, Alexander P.; Volkova, Tatyana V.; Ilyukhin, Andrey B.; Proshin, Alexey N.; Perlovich, German L.","Substituent effect on the packing architecture of adamantane and memantine derivatives of sulfonamide molecular crystals","CrystEngComm","2020","22","2","349","360","10.1039/C9CE01750J","","","0.71073","MoKα","","0.0771","0.0459","","","0.1276","0.1505","","","","","","1","","","","has coordinates","257469","2020-10-21","18:00:00",""
"7239692","10.5361","0.0006","11.2474","0.0006","16.3452","0.001","90","","100.077","0.002","90","","1907.09","0.19","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H24 F3 N O3 S -","- C19 H24 F3 N O3 S -","- C76 H96 F12 N4 O12 S4 -","4","1","","Voronin, Alexander P.; Volkova, Tatyana V.; Ilyukhin, Andrey B.; Proshin, Alexey N.; Perlovich, German L.","Substituent effect on the packing architecture of adamantane and memantine derivatives of sulfonamide molecular crystals","CrystEngComm","2020","22","2","349","360","10.1039/C9CE01750J","","","0.71073","MoKα","","0.0581","0.0428","","","0.1216","0.1326","","","","","","1.08","","","","has coordinates","257469","2020-10-21","18:00:00",""
"7239693","12.0138","0.0006","12.648","0.0006","13.5487","0.0007","107.167","0.002","111.066","0.002","97.215","0.002","1772.5","0.16","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H24 N2 O3 S -","- C18 H24 N2 O3 S -","- C72 H96 N8 O12 S4 -","4","2","","Voronin, Alexander P.; Volkova, Tatyana V.; Ilyukhin, Andrey B.; Proshin, Alexey N.; Perlovich, German L.","Substituent effect on the packing architecture of adamantane and memantine derivatives of sulfonamide molecular crystals","CrystEngComm","2020","22","2","349","360","10.1039/C9CE01750J","","","0.71073","MoKα","","0.075","0.0466","","","0.1128","0.1264","","","","","","1.005","","","","has coordinates","257469","2020-10-21","18:00:00",""
"7239694","6.6214","0.0014","10.2453","0.0017","13.391","0.002","91.638","0.014","96.14","0.017","100.447","0.016","887.2","0.3","296","2","296","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C19 H27 N O2 S -","- C19 H27 N O2 S -","- C38 H54 N2 O4 S2 -","2","1","","Voronin, Alexander P.; Volkova, Tatyana V.; Ilyukhin, Andrey B.; Proshin, Alexey N.; Perlovich, German L.","Substituent effect on the packing architecture of adamantane and memantine derivatives of sulfonamide molecular crystals","CrystEngComm","2020","22","2","349","360","10.1039/C9CE01750J","","x-ray","1.54184","CuKα","","0.062","0.0422","","","0.1183","0.135","","","","","","0.983","","","","has coordinates","257469","2020-10-21","18:00:00",""
"7239695","11.0788","0.0005","12.2658","0.0006","12.9608","0.0006","90","","108.438","0.001","90","","1670.84","0.14","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H20 F3 N O3 S -","- C17 H20 F3 N O3 S -","- C68 H80 F12 N4 O12 S4 -","4","1","","Voronin, Alexander P.; Volkova, Tatyana V.; Ilyukhin, Andrey B.; Proshin, Alexey N.; Perlovich, German L.","Substituent effect on the packing architecture of adamantane and memantine derivatives of sulfonamide molecular crystals","CrystEngComm","2020","22","2","349","360","10.1039/C9CE01750J","","","0.71073","MoKα","","0.0589","0.0449","","","0.1215","0.1321","","","","","","0.993","","","","has coordinates","257469","2020-10-21","18:00:00",""
"7239696","13.3372","0.0006","6.7727","0.0003","21.8857","0.001","90","","101.262","0.002","90","","1938.84","0.15","120","2","120","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C18 H28 N2 O5 S -","- C18 H28 N2 O5 S -","- C72 H112 N8 O20 S4 -","4","2","","Voronin, Alexander P.; Volkova, Tatyana V.; Ilyukhin, Andrey B.; Proshin, Alexey N.; Perlovich, German L.","Substituent effect on the packing architecture of adamantane and memantine derivatives of sulfonamide molecular crystals","CrystEngComm","2020","22","2","349","360","10.1039/C9CE01750J","","","0.71073","MoKα","","0.0659","0.0476","","","0.1037","0.1121","","","","","","0.986","","","","has coordinates","257469","2020-10-21","18:00:00",""
"7239697","19.5823","0.0013","15.69","0.001","14.2997","0.001","90","","114.189","0.002","90","","4007.8","0.5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H28 N2 O3 S -","- C20 H28 N2 O3 S -","- C160 H224 N16 O24 S8 -","8","1","","Voronin, Alexander P.; Volkova, Tatyana V.; Ilyukhin, Andrey B.; Proshin, Alexey N.; Perlovich, German L.","Substituent effect on the packing architecture of adamantane and memantine derivatives of sulfonamide molecular crystals","CrystEngComm","2020","22","2","349","360","10.1039/C9CE01750J","","","0.71073","MoKα","","0.0745","0.0501","","","0.1439","0.1607","","","","","","1.135","","","","has coordinates","257469","2020-10-21","18:00:00",""
"7239698","10.5236","0.0003","13.9711","0.0004","14.1761","0.0004","78.441","0.001","85.252","0.001","73.432","0.001","1956.48","0.1","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H31 N O2 S -","- C21 H31 N O2 S -","- C84 H124 N4 O8 S4 -","4","2","","Voronin, Alexander P.; Volkova, Tatyana V.; Ilyukhin, Andrey B.; Proshin, Alexey N.; Perlovich, German L.","Substituent effect on the packing architecture of adamantane and memantine derivatives of sulfonamide molecular crystals","CrystEngComm","2020","22","2","349","360","10.1039/C9CE01750J","","","0.71073","MoKα","","0.0652","0.0453","","","0.1152","0.1265","","","","","","1.016","","","","has coordinates","257469","2020-10-21","18:00:00",""
"7239699","11.0703","0.0005","12.2683","0.0005","13.2315","0.0006","107.558","0.002","90.903","0.002","102.794","0.002","1664.16","0.13","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H20 F3 N O2 S -","- C17 H20 F3 N O2 S -","- C68 H80 F12 N4 O8 S4 -","4","2","","Voronin, Alexander P.; Volkova, Tatyana V.; Ilyukhin, Andrey B.; Proshin, Alexey N.; Perlovich, German L.","Substituent effect on the packing architecture of adamantane and memantine derivatives of sulfonamide molecular crystals","CrystEngComm","2020","22","2","349","360","10.1039/C9CE01750J","","","0.71073","MoKα","","0.0822","0.0499","","","0.1146","0.1287","","","","","","1.014","","","","has coordinates,has disorder","257469","2020-10-21","18:00:00",""
"7239700","4.7609","0.0005","8.472","0.001","23.813","0.002","90","","92.392","0.007","90","","959.64","0.17","250","","250","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C18 H20 Cl N -","- C9 H10 Cl0.5 N0.5 -","- C36 H40 Cl2 N2 -","4","1","","Flores, Linda; López Duarte, Ismael; Gómez-Lor, Berta; Gutierrez-Puebla, Enrique; Hennrich, Gunther","Supramolecular synthesis with N-hetero-tolanes: liquid crystals and hydrogen-bonded and halogen-bonded co-crystals","CrystEngComm","2020","22","3","416","419","10.1039/C9CE01551E","","x-ray","1.54178","CuKα","","0.0837","0.0603","","","0.1927","0.2033","","","","","","1.112","","","","has coordinates,has disorder","257492","2020-10-21","18:00:00",""
"7239701","5.9346","0.0006","11.9374","0.0014","13.4258","0.0015","73.485","0.009","85.966","0.008","82.697","0.008","903.91","0.18","250","","250","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H22 N O2 -","- C22 H22 N O2 -","- C44 H44 N2 O4 -","2","1","","Flores, Linda; López Duarte, Ismael; Gómez-Lor, Berta; Gutierrez-Puebla, Enrique; Hennrich, Gunther","Supramolecular synthesis with N-hetero-tolanes: liquid crystals and hydrogen-bonded and halogen-bonded co-crystals","CrystEngComm","2020","22","3","416","419","10.1039/C9CE01551E","","x-ray","1.54178","CuKα","","0.1615","0.1032","","","0.2683","0.3299","","","","","","1.12","","","","has coordinates","257492","2020-10-21","18:00:00",""
"7239702","5.8479","0.0003","8.0949","0.0004","40.0427","0.0014","90","","91.972","0.003","90","","1894.43","0.15","250","","250","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 F2 I N -","- C21 H19 F2 I N -","- C84 H76 F8 I4 N4 -","4","1","","Flores, Linda; López Duarte, Ismael; Gómez-Lor, Berta; Gutierrez-Puebla, Enrique; Hennrich, Gunther","Supramolecular synthesis with N-hetero-tolanes: liquid crystals and hydrogen-bonded and halogen-bonded co-crystals","CrystEngComm","2020","22","3","416","419","10.1039/C9CE01551E","","","1.54178","CuKα","","0.1006","0.0901","","","0.2172","0.2224","","","","","","1.295","","","","has coordinates","257492","2020-10-21","18:00:00",""
"7239703","17.6232","0.0019","5.4878","0.0006","20.948","0.002","90","","108.417","0.007","90","","1922.2","0.4","250","2","250","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 F2 I N -","- C21 H19 F2 I N -","- C84 H76 F8 I4 N4 -","4","1","","Flores, Linda; López Duarte, Ismael; Gómez-Lor, Berta; Gutierrez-Puebla, Enrique; Hennrich, Gunther","Supramolecular synthesis with N-hetero-tolanes: liquid crystals and hydrogen-bonded and halogen-bonded co-crystals","CrystEngComm","2020","22","3","416","419","10.1039/C9CE01551E","","","1.54178","CuKα","","0.1393","0.0685","","","0.1406","0.1734","","","","","","0.992","","","","has coordinates","257492","2020-10-21","18:00:00",""
"7239704","30.706","0.002","9.6913","0.0007","11.0426","0.0009","90","","90","","90","","3286.1","0.4","296.4","0.8","296.4","0.8","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C15 H23 N O5 -","- C15 H23 N O5 -","- C120 H184 N8 O40 -","8","2","","Khandavilli, U. B. Rao; Yousuf, Mustafa; Schaller, Barbara E.; Steendam, René R. E.; Keshavarz, Leila; McArdle, Patrick; Frawley, Patrick J.","Plastically bendable pregabalin multi-component systems with improved tabletability and compressibility","CrystEngComm","2020","22","3","412","415","10.1039/C9CE01625B","","","0.71073","MoKα","","0.1443","0.0687","","","0.168","0.2141","","","","","","0.961","","","","has coordinates,has disorder","257489","2020-10-21","18:00:00",""
"7239705","11.725","0.001","6.1271","0.0004","16.0527","0.0015","90","","99.628","0.009","90","","1136.99","0.16","294","0.3","294","0.3","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C9 H18 N O4 -","- C9 H18 N O4 -","- C36 H72 N4 O16 -","4","1","","Khandavilli, U. B. Rao; Yousuf, Mustafa; Schaller, Barbara E.; Steendam, René R. E.; Keshavarz, Leila; McArdle, Patrick; Frawley, Patrick J.","Plastically bendable pregabalin multi-component systems with improved tabletability and compressibility","CrystEngComm","2020","22","3","412","415","10.1039/C9CE01625B","","","0.71073","MoKα","","0.051","0.0429","","","0.1064","0.1141","","","","","","1.088","","","","has coordinates","257489","2020-10-21","18:00:00",""
"7239706","11.5328","0.001","6.1123","0.0005","16.0138","0.0014","90","","99.78","0.009","90","","1112.44","0.17","150","0.1","150","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C18 H36 N2 O8 -","- C18 H36 N2 O8 -","- C36 H72 N4 O16 -","2","0.5","","Khandavilli, U. B. Rao; Yousuf, Mustafa; Schaller, Barbara E.; Steendam, René R. E.; Keshavarz, Leila; McArdle, Patrick; Frawley, Patrick J.","Plastically bendable pregabalin multi-component systems with improved tabletability and compressibility","CrystEngComm","2020","22","3","412","415","10.1039/C9CE01625B","","","0.71073","MoKα","","0.0427","0.0398","","","0.0997","0.1026","","","","","","1.084","","","","has coordinates","257489","2020-10-21","18:00:00",""
"7239707","9.5719","0.0007","30.798","0.002","10.9331","0.0009","90","","90","","90","","3223","0.4","153","0.7","153","0.7","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C15 H23 N O5 -","- C15 H23 N O5 -","- C120 H184 N8 O40 -","8","2","","Khandavilli, U. B. Rao; Yousuf, Mustafa; Schaller, Barbara E.; Steendam, René R. E.; Keshavarz, Leila; McArdle, Patrick; Frawley, Patrick J.","Plastically bendable pregabalin multi-component systems with improved tabletability and compressibility","CrystEngComm","2020","22","3","412","415","10.1039/C9CE01625B","","","0.71073","MoKα","","0.0883","0.0638","","","0.1403","0.1609","","","","","","1.094","","","","has coordinates","257489","2020-10-21","18:00:00",""
"7239708","25.482","0.004","10.5445","0.0013","11.8015","0.0013","90","","90","","90","","3171","0.7","296.15","","296.15","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C14 H15 Cl N4 O4 -","- C14 H15 Cl N4 O4 -","- C112 H120 Cl8 N32 O32 -","8","0.5","","Baig, Fayaz; Rangan, Krishnan; Eappen, Shibu M.; Mandal, Sanjay K.; Sarkar, Madhushree","Template effect of innocent and coordinating anions on the formation of interpenetrated 2D and 3D networks: methyl orange and iodine sorption studies","CrystEngComm","2020","22","4","751","766","10.1039/C9CE00998A","","","0.71073","MoKα","","0.1068","0.0887","","","0.2646","0.2899","","","","","","1.162","","","","has coordinates","257451","2020-10-21","18:00:00",""
"7239709","15.144","0.002","7.7696","0.001","11.1165","0.0014","90","","106.259","0.014","90","","1255.7","0.3","93","2","93","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N4 -","- C14 H14 N4 -","- C56 H56 N16 -","4","1","","Baig, Fayaz; Rangan, Krishnan; Eappen, Shibu M.; Mandal, Sanjay K.; Sarkar, Madhushree","Template effect of innocent and coordinating anions on the formation of interpenetrated 2D and 3D networks: methyl orange and iodine sorption studies","CrystEngComm","2020","22","4","751","766","10.1039/C9CE00998A","","x-ray","0.71073","MoKα","","0.0356","0.0315","","","0.0807","0.0839","","","","","","1.03","","","","has coordinates","257451","2020-10-21","18:00:00",""
"7239710","11.4937","0.0006","14.6527","0.0007","22.6545","0.0006","71.776","0.003","87.979","0.003","85.994","0.004","3614.7","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H74 Cd2 Cl4 N16 O25 -","- C56 H64 Cd2 Cl4 N16 O25 -","- C112 H128 Cd4 Cl8 N32 O50 -","2","1","","Baig, Fayaz; Rangan, Krishnan; Eappen, Shibu M.; Mandal, Sanjay K.; Sarkar, Madhushree","Template effect of innocent and coordinating anions on the formation of interpenetrated 2D and 3D networks: methyl orange and iodine sorption studies","CrystEngComm","2020","22","4","751","766","10.1039/C9CE00998A","","","1.54184","CuKα","","0.0628","0.0558","","","0.1437","0.1492","","","","","","1.032","","","","has coordinates,has disorder","257451","2020-10-21","18:00:00",""
"7239711","9.8814","0.0003","14.19","0.0004","15.7164","0.0005","94.95","0.003","91.893","0.003","100.06","0.003","2159.13","0.12","298.15","","298.15","","","","","","","","","6","P -1","-P 1","2","","","","- C36.8 H34 Cd N8.4 O6 S2 -","- C34 H32 Cd N8 O6 S2 -","- C68 H64 Cd2 N16 O12 S4 -","2","1","","Baig, Fayaz; Rangan, Krishnan; Eappen, Shibu M.; Mandal, Sanjay K.; Sarkar, Madhushree","Template effect of innocent and coordinating anions on the formation of interpenetrated 2D and 3D networks: methyl orange and iodine sorption studies","CrystEngComm","2020","22","4","751","766","10.1039/C9CE00998A","","","0.71073","MoKα","","0.0591","0.0551","","","0.1377","0.1399","","","","","","1.065","","","","has coordinates","257451","2020-10-21","18:00:00",""
"7239712","9.8572","0.0005","14.2441","0.0007","15.6512","0.0009","96.235","0.004","94.357","0.004","100.569","0.004","2137.1","0.2","293.15","","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C35 H40 Cd N8 O9 S2 -","- C34 H32 Cd N8 O6 S2 -","- C68 H64 Cd2 N16 O12 S4 -","2","1","","Baig, Fayaz; Rangan, Krishnan; Eappen, Shibu M.; Mandal, Sanjay K.; Sarkar, Madhushree","Template effect of innocent and coordinating anions on the formation of interpenetrated 2D and 3D networks: methyl orange and iodine sorption studies","CrystEngComm","2020","22","4","751","766","10.1039/C9CE00998A","","","0.71073","MoKα","","0.075","0.063","","","0.1472","0.1511","","","","","","1.108","","","","has coordinates","257451","2020-10-21","18:00:00",""
"7239717","8.3885","0.0004","8.501","0.0004","12.0706","0.0006","106.955","0.001","105.901","0.001","100.707","0.001","758.1","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H26 Gd2 N8 O16 -","- C20 H26 Gd2 N8 O16 -","- C20 H26 Gd2 N8 O16 -","1","0.5","","Wang, Hai-Ling; Liu, Zi-Yuan; Zhu, Zhong-Hong; Peng, Jin-Mei; Ma, Xiong-Feng; Bai, Juan; Zou, Hua-Hong; Mo, Kai-Qiang; Liang, Fu-Pei","Manipulating clusters by regulating N,O chelating ligands: structures and multistep assembly mechanisms","CrystEngComm","2020","22","5","915","923","10.1039/C9CE01730E","","","0.71073","MoKα","","0.0246","0.0226","","","0.0618","0.0634","","","","","","1.057","","","","has coordinates","257449","2020-10-21","18:00:00",""
"7239718","17.3","0.0002","17.3","0.0002","14.446","0.0003","90","","90","","90","","4323.54","0.11","293","2","293","2","","","","","","","","5","P 4 n c","P 4 -2n","104","","","","- C32 H80 Gd9 N16 O50 -","- C32 H80 Gd9 N16 O50 -","- C64 H160 Gd18 N32 O100 -","2","0.25","","Wang, Hai-Ling; Liu, Zi-Yuan; Zhu, Zhong-Hong; Peng, Jin-Mei; Ma, Xiong-Feng; Bai, Juan; Zou, Hua-Hong; Mo, Kai-Qiang; Liang, Fu-Pei","Manipulating clusters by regulating N,O chelating ligands: structures and multistep assembly mechanisms","CrystEngComm","2020","22","5","915","923","10.1039/C9CE01730E","","","0.71073","MoKα","","0.0253","0.0236","","","0.0563","0.0573","","","","","","1.033","","","","has coordinates","257449","2020-10-21","18:00:00",""
"7239719","18.4916","0.0016","18.4916","0.0016","21.4412","0.0019","90","","90","","90","","7331.6","1.1","296","2","296.15","","","","","","","","","5","I 4 2 2","I 4 2","97","","","","- C48 H32 Gd12 N16 O64 -","- C48 H32 Gd12 N16 O64 -","- C96 H64 Gd24 N32 O128 -","2","0.125","","Wang, Hai-Ling; Liu, Zi-Yuan; Zhu, Zhong-Hong; Peng, Jin-Mei; Ma, Xiong-Feng; Bai, Juan; Zou, Hua-Hong; Mo, Kai-Qiang; Liang, Fu-Pei","Manipulating clusters by regulating N,O chelating ligands: structures and multistep assembly mechanisms","CrystEngComm","2020","22","5","915","923","10.1039/C9CE01730E","","","0.71073","MoKα","","0.0564","0.0506","","","0.1429","0.1467","","","","","","1.038","","","","has coordinates","257449","2020-10-21","18:00:00",""
"7239725","11.8376","0.0002","19.8062","0.0004","11.5994","0.0003","90","","93.465","0.001","90","","2714.6","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H22 Cu N4 O6 -","- C31 H22 Cu N4 O6 -","- C124 H88 Cu4 N16 O24 -","4","1","","Huang, Chao; Zhu, Kaifang; Lu, Guizhen; Zhang, Yingying; Wang, Dandan; Zhang, Dianbo; Mi, Liwei; Hou, Hongwei","Oriented assembly of copper metal‒organic framework membranes as tandem catalysts to enhance C‒H hydroxyalkynylation reactions with regiocontrol","CrystEngComm","2020","22","4","802","810","10.1039/C9CE01719D","","","0.71073","MoKα","","0.0788","0.0697","","","0.1911","0.2012","","","","","","1.054","","","","has coordinates","257454","2020-10-21","18:00:00",""
"7239726","32.816","0.012","9.466","0.005","33.049","0.013","90","","118.73","0.03","90","","9002","7","293","2","293","2","","","","","","","","6","I 1 2/c 1","-I 2yc","15","","","","- C34 H24 Br2 Co2 N6 O8 -","- C34 H24 Br2 Co2 N6 O8 -","- C272 H192 Br16 Co16 N48 O64 -","8","1","","Wang, Jun; Chen, Ning-Ning; Zhang, Chen; Jia, Li-Yong; Fan, Liming","Functional group induced structural diversities and photocatalytic, magnetic and luminescence sensing properties of four cobalt(ii) coordination polymers based on 1,3,5-tris(2-methylimidazol-1-yl)benzene","CrystEngComm","2020","22","4","811","820","10.1039/C9CE01474H","","","0.71073","MoKα","","0.0531","0.0338","","","0.078","0.0843","","","","","","1.044","","","","has coordinates,has disorder","257453","2020-10-21","18:00:00",""
"7239727","19.47","0.003","11.53","0.015","29.73","0.004","90","","107.15","0.009","90","","6377","8","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C52 H46 Co3 N12 O16 S2 -","- C52 H46 Co3 N12 O16 S2 -","- C208 H184 Co12 N48 O64 S8 -","4","0.5","","Wang, Jun; Chen, Ning-Ning; Zhang, Chen; Jia, Li-Yong; Fan, Liming","Functional group induced structural diversities and photocatalytic, magnetic and luminescence sensing properties of four cobalt(ii) coordination polymers based on 1,3,5-tris(2-methylimidazol-1-yl)benzene","CrystEngComm","2020","22","4","811","820","10.1039/C9CE01474H","","","0.71073","MoKα","","0.0953","0.0803","","","0.1981","0.2053","","","","","","1.174","","","","has coordinates","257453","2020-10-21","18:00:00",""
"7239728","52.46","0.007","7.211","0.001","19.47","0.003","90","","90","","90","","7365.3","1.8","173","2","173","2","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- C112 H106 Co5 N28 O28 -","- C112 H106 Co5 N28 O28 -","- C224 H212 Co10 N56 O56 -","2","0.5","","Wang, Jun; Chen, Ning-Ning; Zhang, Chen; Jia, Li-Yong; Fan, Liming","Functional group induced structural diversities and photocatalytic, magnetic and luminescence sensing properties of four cobalt(ii) coordination polymers based on 1,3,5-tris(2-methylimidazol-1-yl)benzene","CrystEngComm","2020","22","4","811","820","10.1039/C9CE01474H","","","0.71073","MoKα","","0.0565","0.0352","","","0.07","0.072","","","","","","1.099","","","","has coordinates","257453","2020-10-21","18:00:00",""
"7239729","33.563","0.019","12.204","0.004","10.119","0.004","90","","90","","90","","4145","3","293","2","293","2","","","","","","","","5","A m a 2","A 2 -2a","40","","","","- C17 H14 Co N4 O4 -","- C17 H14 Co N4 O4 -","- C136 H112 Co8 N32 O32 -","8","1","","Wang, Jun; Chen, Ning-Ning; Zhang, Chen; Jia, Li-Yong; Fan, Liming","Functional group induced structural diversities and photocatalytic, magnetic and luminescence sensing properties of four cobalt(ii) coordination polymers based on 1,3,5-tris(2-methylimidazol-1-yl)benzene","CrystEngComm","2020","22","4","811","820","10.1039/C9CE01474H","","","0.71073","MoKα","","0.0407","0.0374","","","0.1016","0.1036","","","","","","1.057","","","","has coordinates,has disorder","257453","2020-10-21","18:00:00",""
"7239733","25.15","0.003","25.15","0.003","14.827","0.0019","90","","90","","90","","9378","2","296","2","296","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C120 H96 O24 -","- C120 H96 O24 -","- C480 H384 O96 -","4","0.25","","Xiao, Zufeng; Yang, Weiping; Luo, Jia; Guo, Rong; Zeng, Rong; Ji, Lingbo; Li, Wei; Wang, Wei","Weak intermolecular interaction directed assembly of calix[4]arene derivatives","CrystEngComm","2019","21","46","7114","","10.1039/C9CE01286A","","","0.71073","MoKα","","0.1387","0.0768","","","0.1994","0.2529","","","","","","1.015","","","","has coordinates","246603","2020-10-21","18:00:00",""
"7239734","10.969","0.002","18.363","0.003","19.253","0.004","90","","90","","90","","3878","1.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C43 H48 O7 -","- C43 H48 O7 -","- C172 H192 O28 -","4","1","","Xiao, Zufeng; Yang, Weiping; Luo, Jia; Guo, Rong; Zeng, Rong; Ji, Lingbo; Li, Wei; Wang, Wei","Weak intermolecular interaction directed assembly of calix[4]arene derivatives","CrystEngComm","2019","21","46","7114","","10.1039/C9CE01286A","","","0.71073","MoKα","","0.0957","0.0781","","","0.2232","0.2534","","","","","","1.049","","","","has coordinates,has disorder","287883","2023-11-30","11:40:54",""
"7239735","18.4376","0.0007","18.4376","0.0007","11.2852","0.0005","90","","90","","90","","3836.3","0.3","173","2","173","2","","","","","","","","3","P -4","P -4","81","","","","- C44 H48 O8 -","- C44 H48 O8 -","- C176 H192 O32 -","4","1","","Xiao, Zufeng; Yang, Weiping; Luo, Jia; Guo, Rong; Zeng, Rong; Ji, Lingbo; Li, Wei; Wang, Wei","Weak intermolecular interaction directed assembly of calix[4]arene derivatives","CrystEngComm","2019","21","46","7114","","10.1039/C9CE01286A","","","1.34139","GaKα","","0.0757","0.0736","","","0.2311","0.2331","","","","","","1.075","","","","has coordinates,has disorder","287883","2023-11-30","11:40:54",""
"7239736","16.135","0.003","11.499","0.004","19.456","0.005","90","","90","","90","","3609.8","1.7","273","2","273","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- C42 H48 O6 -","- C42 H48 O6 -","- C168 H192 O24 -","4","0.5","","Xiao, Zufeng; Yang, Weiping; Luo, Jia; Guo, Rong; Zeng, Rong; Ji, Lingbo; Li, Wei; Wang, Wei","Weak intermolecular interaction directed assembly of calix[4]arene derivatives","CrystEngComm","2019","21","46","7114","","10.1039/C9CE01286A","","","0.71073","MoKα","","0.0768","0.0516","","","0.1332","0.1506","","","","","","1.022","","","","has coordinates,has disorder","246603","2020-10-21","18:00:00",""
"7239737","22.208","0.004","21.426","0.004","19.955","0.004","90","","110.64","0.03","90","","8886","3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H44 N4 O4 -","- C44 H44 N4 O4 -","- C352 H352 N32 O32 -","8","1","","Xiao, Zufeng; Yang, Weiping; Luo, Jia; Guo, Rong; Zeng, Rong; Ji, Lingbo; Li, Wei; Wang, Wei","Weak intermolecular interaction directed assembly of calix[4]arene derivatives","CrystEngComm","2019","21","46","7114","","10.1039/C9CE01286A","","","0.71073","MoKα","","0.1444","0.0669","","","0.19","0.2278","","","","","","0.941","","","","has coordinates,has disorder","246603","2020-10-21","18:00:00",""
"7239738","26.68","0.006","16.08","0.004","17.734","0.004","90","","111.563","0.003","90","","7076","3","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C77 H74 Cl2 O16 -","- C77 H74 Cl2 O16 -","- C308 H296 Cl8 O64 -","4","0.5","","Xiao, Zufeng; Yang, Weiping; Luo, Jia; Guo, Rong; Zeng, Rong; Ji, Lingbo; Li, Wei; Wang, Wei","Weak intermolecular interaction directed assembly of calix[4]arene derivatives","CrystEngComm","2019","21","46","7114","","10.1039/C9CE01286A","","","0.71073","MoKα","","0.1469","0.0937","","","0.281","0.3408","","","","","","1.165","","","","has coordinates,has disorder","246603","2020-10-21","18:00:00",""
"7239739","17.7822","0.0006","17.782","0.002","43.687","0.0013","90","","90","","90","","13814","1.7","298","2","298","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C44 H32 O8 -","- C44 H32 O8 -","- C704 H512 O128 -","16","2","","Xiao, Zufeng; Yang, Weiping; Luo, Jia; Guo, Rong; Zeng, Rong; Ji, Lingbo; Li, Wei; Wang, Wei","Weak intermolecular interaction directed assembly of calix[4]arene derivatives","CrystEngComm","2019","21","46","7114","","10.1039/C9CE01286A","","","0.71073","MoKα","","0.1834","0.057","","","0.0714","0.0841","","","","","","1.05","","","","has coordinates,has disorder","246603","2020-10-21","18:00:00",""
"7239740","7.4239","0.0014","7.4239","0.0014","13.169","0.003","90","","90","","90","","725.8","0.3","301","2","301","2","","","","","","","","4","I -4","I -4","82","","","","- Co0.69 Cs1.29 Ge1.81 O5 -","- Co0.691 Cs1.2858 Ge1.809 O5 -","- Co2.764 Cs5.1432 Ge7.236 O20 -","4","0.5","","Usman, Mohammad; Smith, Mark D.; Kocevski, Vancho; Besmann, Theodore; zur Loye, Hans-Conrad","Complex cobalt silicates and germanates crystallizing in a porous three-dimensional framework structure","CrystEngComm","2020","22","6","1112","1119","10.1039/C9CE01662G","","","0.71073","MoKα","","0.0217","0.0206","","","0.0514","0.0518","","","","","","1.062","","","","has coordinates","257476","2020-10-21","18:00:00",""
"7239741","8.9926","0.0004","5.4599","0.0002","9.3958","0.0006","90","","91.5928","0.0018","90","","461.14","0.04","301","2","301","2","","","","","","","","4","I 1 m 1","I -2y","8","","","","- Co0.5 Cs O4 Si1.5 -","- Co0.5 Cs O4 Si1.5 -","- Co2 Cs4 O16 Si6 -","4","1","","Usman, Mohammad; Smith, Mark D.; Kocevski, Vancho; Besmann, Theodore; zur Loye, Hans-Conrad","Complex cobalt silicates and germanates crystallizing in a porous three-dimensional framework structure","CrystEngComm","2020","22","6","1112","1119","10.1039/C9CE01662G","","","0.71073","MoKα","","0.0264","0.0209","","","0.0428","0.0457","","","","","","1.15","","","","has coordinates","257476","2020-10-21","18:00:00",""
"7239742","8.996","0.002","5.45","0.001","9.381","0.002","90","","90.709","0.017","90","","459.9","0.16","301","2","301","2","","","","","","","","5","I 1 m 1","I -2y","8","","","","- Co0.5 Cs0.86 O4 Rb0.14 Si1.5 -","- Co0.5 Cs0.86 O4 Rb0.14 Si1.5 -","- Co2 Cs3.44 O16 Rb0.56 Si6 -","4","1","","Usman, Mohammad; Smith, Mark D.; Kocevski, Vancho; Besmann, Theodore; zur Loye, Hans-Conrad","Complex cobalt silicates and germanates crystallizing in a porous three-dimensional framework structure","CrystEngComm","2020","22","6","1112","1119","10.1039/C9CE01662G","","","0.71073","MoKα","","0.0345","0.0309","","","0.0706","0.0741","","","","","","1.091","","","","has coordinates","257476","2020-10-21","18:00:00",""
"7239743","7.354","0.0006","7.354","0.0006","13.1122","0.0011","90","","90","","90","","709.13","0.1","301","2","301","2","","","","","","","","4","I -4","I -4","82","","","","- Co Cs2 Ge4 O10 -","- Co Cs2 Ge4 O10 -","- Co2 Cs4 Ge8 O20 -","2","0.25","","Usman, Mohammad; Smith, Mark D.; Kocevski, Vancho; Besmann, Theodore; zur Loye, Hans-Conrad","Complex cobalt silicates and germanates crystallizing in a porous three-dimensional framework structure","CrystEngComm","2020","22","6","1112","1119","10.1039/C9CE01662G","","","0.71073","MoKα","","0.0248","0.0235","","","0.0651","0.0661","","","","","","1.221","","","","has coordinates","257476","2020-10-21","18:00:00",""
"7239752","9.6267","0.0007","5.2704","0.0002","13.829","0.0017","90","","109.943","0.011","90","","659.56","0.11","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H46 N4 O8 -","- C21 H46 N4 O8 -","- C21 H46 N4 O8 -","1","0.5","","Isakov, Anton I.; Lorenz, Heike; Zolotarev, Andrey A.; Kotelnikova, Elena N.","Heteromolecular compounds in binary systems of amino acids with opposite and same chiralities","CrystEngComm","2020","22","5","986","997","10.1039/C9CE01333D","","x-ray","1.54184","CuKα","","0.0829","0.0687","","","0.1864","0.2039","","","","","","1.025","","","","has coordinates,has disorder","257450","2020-10-21","18:00:00",""
"7239753","20.5773","0.0013","7.6357","0.0005","20.5774","0.0006","90","","94.06","0.01","90","","3225.1","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H28 Cd2 N4 O8 -","- C42 H28 Cd2 N4 O8 -","- C168 H112 Cd8 N16 O32 -","4","1","","Yang, Ying-Jie; Li, Yue-Hua; Liu, Dong; Cui, Guang-Hua","A dual-responsive luminescent sensor based on a water-stable Cd(ii)-MOF for the highly selective and sensitive detection of acetylacetone and Cr2O72− in aqueous solutions","CrystEngComm","2020","22","7","1166","1175","10.1039/C9CE01546A","","","0.71073","MoKα","","0.0213","0.0211","","","0.0565","0.0566","","","","","","1.027","","","","has coordinates,has disorder","257479","2020-10-21","18:00:00",""
"7239754","15.5031","0.0009","10.5717","0.0006","18.4527","0.0011","90","","107.028","0.001","90","","2891.7","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 Cd N4 O4 -","- C32 H26 Cd N4 O4 -","- C128 H104 Cd4 N16 O16 -","4","1","","Yang, Ying-Jie; Li, Yue-Hua; Liu, Dong; Cui, Guang-Hua","A dual-responsive luminescent sensor based on a water-stable Cd(ii)-MOF for the highly selective and sensitive detection of acetylacetone and Cr2O72− in aqueous solutions","CrystEngComm","2020","22","7","1166","1175","10.1039/C9CE01546A","","","0.71073","MoKα","","0.0335","0.0267","","","0.0887","0.0996","","","","","","1.079","","","","has coordinates","257479","2020-10-21","18:00:00",""
"7239759","9.588","0.0012","9.1464","0.0013","15.181","0.003","90","","95.161","0.013","90","","1325.9","0.4","297","2","297","","","","","","","","","5","P 1 21 1","P 2yb","4","","(C10H16N)2MnBr4","","- C20 H32 Br4 Mn N2 -","- C20 H32 Br4 Mn N2 -","- C40 H64 Br8 Mn2 N4 -","2","1","","Fu, Hanmei; Jiang, Chunli; Lao, Jie; Luo, Chunhua; Lin, Hechun; Peng, Hui; Duan, Chun-Gang","An organic‒inorganic hybrid ferroelectric with strong luminescence and high Curie temperature","CrystEngComm","2020","22","8","1436","1441","10.1039/C9CE01888C","","","1.54178","CuKα","","0.041","0.0391","","","0.1128","0.1154","","","","","","1.048","","","","has coordinates","257440","2020-10-21","18:00:00",""
"7239762","8.8377","0.0006","11.5913","0.0009","12.6874","0.0011","68.122","0.008","86.872","0.007","80.728","0.006","1190.32","0.18","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C24 H25 Cl I N5 Pd -","- C24 H25 Cl I N5 Pd -","- C48 H50 Cl2 I2 N10 Pd2 -","2","1","","Mikherdov, Alexander S.; Katkova, Svetlana A.; Novikov, Alexander S.; Efremova, Mariia M.; Reutskaya, Elena Yu.; Kinzhalov, Mikhail A.","(Isocyano group)⋯lone pair interactions involving coordinated isocyanides: experimental, theoretical and CSD studies","CrystEngComm","2020","22","7","1154","1159","10.1039/C9CE01741K","","","0.71073","MoKα","","0.045","0.0322","","","0.063","0.0696","","","","","","1.035","","","","has coordinates","257478","2020-10-21","18:00:00",""
"7239766","11.5375","0.0016","14.0705","0.0006","14.9602","0.001","90.864","0.004","106.952","0.011","93.424","0.008","2317.6","0.4","292.5","0.5","292.5","0.5","","","","","","","","5","P -1","-P 1","2","","","","- C91 H60 Eu4 N7 O32 -","- C91 H60 Eu4 N7 O32 -","- C91 H60 Eu4 N7 O32 -","1","0.5","","Duan, Lijuan; Zhang, Chengcheng; Cen, Peipei; Jin, Xiaoyong; Liang, Chen; Yang, Jinhui; Liu, Xiangyu","Stable Ln-MOFs as multi-responsive photoluminescence sensors for sensitively sensing Fe3+, Cr2O72-, and nitrofuran","CrystEngComm","2020","","","","","10.1039/C9CE01995B","","x-ray","1.54184","CuKα","","0.1147","0.0908","","","0.242","0.284","","","","","","1.023","","","","has coordinates,has disorder","246991","2020-10-21","18:00:00",""
"7239767","11.372","0.004","13.957","0.005","11.331","0.004","90","","95.083","0.013","90","","1791.4","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 Ho N O9 -","- C15 H10 Ho N O9 -","- C60 H40 Ho4 N4 O36 -","4","1","","Duan, Lijuan; Zhang, Chengcheng; Cen, Peipei; Jin, Xiaoyong; Liang, Chen; Yang, Jinhui; Liu, Xiangyu","Stable Ln-MOFs as multi-responsive photoluminescence sensors for sensitively sensing Fe3+, Cr2O72-, and nitrofuran","CrystEngComm","2020","","","","","10.1039/C9CE01995B","","","0.71073","MoKα","","0.0761","0.0423","","","0.0892","0.0989","","","","","","1.067","","","","has coordinates","246991","2020-10-21","18:00:00",""
"7239768","11.3968","0.0005","14.0119","0.0006","11.3978","0.0005","90","","95.65","","90","","1811.28","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 N O9 Tb -","- C15 H10 N O9 Tb -","- C60 H40 N4 O36 Tb4 -","4","1","","Duan, Lijuan; Zhang, Chengcheng; Cen, Peipei; Jin, Xiaoyong; Liang, Chen; Yang, Jinhui; Liu, Xiangyu","Stable Ln-MOFs as multi-responsive photoluminescence sensors for sensitively sensing Fe3+, Cr2O72-, and nitrofuran","CrystEngComm","2020","","","","","10.1039/C9CE01995B","","","0.71073","MoKα","","0.0587","0.0346","","","0.0805","0.089","","","","","","1.071","","","","has coordinates","246991","2020-10-21","18:00:00",""
"7239769","11.3313","0.0008","13.9527","0.0009","11.2894","0.0008","90","","95.06","0.002","90","","1777.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 Er N O9 -","- C15 H10 Er N O9 -","- C60 H40 Er4 N4 O36 -","4","1","","Duan, Lijuan; Zhang, Chengcheng; Cen, Peipei; Jin, Xiaoyong; Liang, Chen; Yang, Jinhui; Liu, Xiangyu","Stable Ln-MOFs as multi-responsive photoluminescence sensors for sensitively sensing Fe3+, Cr2O72-, and nitrofuran","CrystEngComm","2020","","","","","10.1039/C9CE01995B","","","0.71073","MoKα","","0.0865","0.0433","","","0.0841","0.0959","","","","","","1.02","","","","has coordinates","246991","2020-10-21","18:00:00",""
"7239770","11.3894","0.0011","13.9859","0.0015","11.3879","0.0011","90","","95.636","0.003","90","","1805.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 Dy N O9 -","- C15 H10 Dy N O9 -","- C60 H40 Dy4 N4 O36 -","4","1","","Duan, Lijuan; Zhang, Chengcheng; Cen, Peipei; Jin, Xiaoyong; Liang, Chen; Yang, Jinhui; Liu, Xiangyu","Stable Ln-MOFs as multi-responsive photoluminescence sensors for sensitively sensing Fe3+, Cr2O72-, and nitrofuran","CrystEngComm","2020","","","","","10.1039/C9CE01995B","","","0.71073","MoKα","","0.051","0.0308","","","0.0777","0.0845","","","","","","1.086","","","","has coordinates","246991","2020-10-21","18:00:00",""
"7239771","11.531","0.001","14.1029","0.0012","15.0556","0.0012","90.64","0.004","104.331","0.005","93.532","0.004","2366.8","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C45.5 H24 Gd2 N3.5 O16 -","- C45.5 H24 Gd2 N3.5 O16 -","- C91 H48 Gd4 N7 O32 -","2","1","","Duan, Lijuan; Zhang, Chengcheng; Cen, Peipei; Jin, Xiaoyong; Liang, Chen; Yang, Jinhui; Liu, Xiangyu","Stable Ln-MOFs as multi-responsive photoluminescence sensors for sensitively sensing Fe3+, Cr2O72-, and nitrofuran","CrystEngComm","2020","","","","","10.1039/C9CE01995B","","","1.54178","CuKα","","0.1045","0.0721","","","0.1454","0.163","","","","","","1.066","","","","has coordinates,has disorder","246991","2020-10-21","18:00:00",""
"7239772","16.1109","0.0005","19.4781","0.0006","15.7553","0.0005","90","","90","","90","","4944.2","0.3","296","2","296","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C51 H50 Cu2 N4 O15 -","- C51 H50 Cu2 N4 O15 -","- C204 H200 Cu8 N16 O60 -","4","0.5","","Liu, Gui-Lei; Song, Jianbiao; Qiu, Qi-Ming; Li, Hui","Syntheses, structures, and magnetic properties of three supramolecular isomeric Cu(II) square grid networks: solvents effect on the ligand linkages","CrystEngComm","2020","","","","","10.1039/C9CE01940E","","","0.71073","MoKα","","0.0708","0.0506","","","0.1461","0.1732","","","","","","1.023","","","","has coordinates","247041","2020-10-21","18:00:00",""
"7239773","15.773","0.003","15.649","0.003","12.824","0.003","90","","109.34","0.03","90","","2986.7","1.2","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H26 Cu N2 O10 -","- C25 H26 Cu N2 O10 -","- C100 H104 Cu4 N8 O40 -","4","0.5","","Liu, Gui-Lei; Song, Jianbiao; Qiu, Qi-Ming; Li, Hui","Syntheses, structures, and magnetic properties of three supramolecular isomeric Cu(II) square grid networks: solvents effect on the ligand linkages","CrystEngComm","2020","","","","","10.1039/C9CE01940E","","","0.71073","MoKα","","0.0741","0.0654","","","0.1944","0.2002","","","","","","1.072","","","","has coordinates,has disorder","247041","2020-10-21","18:00:00",""
"7239774","13.224","0.003","14.236","0.003","12.886","0.003","90","","103.52","0.03","90","","2358.7","1","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 Cu N2 O5 S -","- C26 H22 Cu N2 O5 S -","- C104 H88 Cu4 N8 O20 S4 -","4","0.5","","Liu, Gui-Lei; Song, Jianbiao; Qiu, Qi-Ming; Li, Hui","Syntheses, structures, and magnetic properties of three supramolecular isomeric Cu(II) square grid networks: solvents effect on the ligand linkages","CrystEngComm","2020","","","","","10.1039/C9CE01940E","","","0.71073","MoKα","","0.0804","0.0642","","","0.1673","0.1776","","","","","","1.082","","","","has coordinates","247041","2020-10-21","18:00:00",""
"7239775","9.4217","0.0005","10.3198","0.0006","13.0913","0.0006","67.835","0.005","71.685","0.005","86.556","0.005","1116.61","0.12","293","","293","","","","","","","","","3","P -1","-P 1","2","","Fc Trip","","- C30 H24 Fe -","- C30 H24 Fe -","- C60 H48 Fe2 -","2","1","","Singh, Ajeet; Torubaev, Yury; Ansari, Shagufi N.; Singh, Sandip K.; Mobin, Shaikh M.; Mathur, Pradeep","The borderline: exploring the structural landscape of triptycene in cocrystallization with ferrocene","CrystEngComm","2020","22","8","1314","1320","10.1039/C9CE01734H","","x-ray","0.71073","MoKα","","0.0733","0.0538","","","0.1391","0.1533","","","","","","1.028","","","","has coordinates","257444","2020-10-21","18:00:00",""
"7239776","13.332","0.0015","13.4018","0.0012","16.138","0.002","95.029","0.009","105.145","0.011","119.521","0.01","2340.2","0.6","298","","298","","","","","","","","","3","P -1","-P 1","2","","FCC2trip","","- C64 H46 Fe2 -","- C64 H46 Fe2 -","- C128 H92 Fe4 -","2","1","","Singh, Ajeet; Torubaev, Yury; Ansari, Shagufi N.; Singh, Sandip K.; Mobin, Shaikh M.; Mathur, Pradeep","The borderline: exploring the structural landscape of triptycene in cocrystallization with ferrocene","CrystEngComm","2020","22","8","1314","1320","10.1039/C9CE01734H","","","0.71073","MoKα","","0.2107","0.0914","","","0.1986","0.2736","","","","","","1.021","","","","has coordinates","257444","2020-10-21","18:00:00",""
"7239777","8.9336","0.0001","8.4105","0.0001","28.5683","0.0004","90","","93.582","0.001","90","","2142.32","0.05","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Cocrystal 4","","- C60 H46 Fe2 -","- C60 H46 Fe2 -","- C120 H92 Fe4 -","2","0.5","","Singh, Ajeet; Torubaev, Yury; Ansari, Shagufi N.; Singh, Sandip K.; Mobin, Shaikh M.; Mathur, Pradeep","The borderline: exploring the structural landscape of triptycene in cocrystallization with ferrocene","CrystEngComm","2020","22","8","1314","1320","10.1039/C9CE01734H","","x-ray","1.54184","CuKα","","0.0497","0.0438","","","0.1287","0.1397","","","","","","1.042","","","","has coordinates","257444","2020-10-21","18:00:00",""
"7239778","9.6767","0.0012","10.3972","0.0012","12.9455","0.0015","70.641","0.01","71.847","0.011","89.794","0.01","1160.4","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","TripFccho","","- C31 H24 Fe O -","- C31 H24 Fe O -","- C62 H48 Fe2 O2 -","2","1","","Singh, Ajeet; Torubaev, Yury; Ansari, Shagufi N.; Singh, Sandip K.; Mobin, Shaikh M.; Mathur, Pradeep","The borderline: exploring the structural landscape of triptycene in cocrystallization with ferrocene","CrystEngComm","2020","22","8","1314","1320","10.1039/C9CE01734H","","x-ray","0.71073","MoKα","","0.2121","0.1203","","","0.3157","0.3924","","","","","","0.961","","","","has coordinates","257444","2020-10-21","18:00:00",""
"7239779","7.95","0.0004","28.507","0.002","15.5007","0.0008","90","","104.262","0.005","90","","3404.7","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","TripPCPfc","","- C48 H38 Fe -","- C48 H38 Fe -","- C192 H152 Fe4 -","4","1","","Singh, Ajeet; Torubaev, Yury; Ansari, Shagufi N.; Singh, Sandip K.; Mobin, Shaikh M.; Mathur, Pradeep","The borderline: exploring the structural landscape of triptycene in cocrystallization with ferrocene","CrystEngComm","2020","22","8","1314","1320","10.1039/C9CE01734H","","x-ray","1.54184","CuKα","","0.1747","0.1158","","","0.3075","0.3614","","","","","","1.027","","","","has coordinates","257444","2020-10-21","18:00:00",""
"7239780","11.324","0.0009","12.502","0.004","14.398","0.004","90","","90","","90","","2038.4","0.9","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 Cl2 Hg N2 O4 -","- C18 H18 Cl2 Hg N2 O4 -","- C72 H72 Cl8 Hg4 N8 O16 -","4","1","","Jouaiti, Abdelaziz; Grosshans, Philippe; Kyritsakas, Nathalie; Ferlay, Sylvie; Henry, Marc; Hosseini, Mir Wais","Crystal formation of 1D coordination polymers based on chiral, achiral and racemic 1,2-cyclohexane scaffolds","CrystEngComm","2020","22","10","1746","1753","10.1039/C9CE01781J","","","0.71073","MoKα","","0.0457","0.0321","","","0.0551","0.0588","","","","","","1.015","","","","has coordinates","257431","2020-10-21","18:00:00",""
"7239781","11.6797","0.0013","12.746","0.002","16.331","0.002","90","","100.554","0.01","90","","2390.1","0.6","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 Cl5 Hg N2 O4 -","- C19 H19 Cl5 Hg N2 O4 -","- C76 H76 Cl20 Hg4 N8 O16 -","4","1","","Jouaiti, Abdelaziz; Grosshans, Philippe; Kyritsakas, Nathalie; Ferlay, Sylvie; Henry, Marc; Hosseini, Mir Wais","Crystal formation of 1D coordination polymers based on chiral, achiral and racemic 1,2-cyclohexane scaffolds","CrystEngComm","2020","22","10","1746","1753","10.1039/C9CE01781J","","","0.71073","MoKα","","0.1137","0.0477","","","0.0862","0.1085","","","","","","0.823","","","","has coordinates","257431","2020-10-21","18:00:00",""
"7239782","11.321","0.007","12.502","0.006","14.4","0.02","90","","90","","90","","2038","3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 Cl2 Hg N2 O4 -","- C18 H18 Cl2 Hg N2 O4 -","- C72 H72 Cl8 Hg4 N8 O16 -","4","1","","Jouaiti, Abdelaziz; Grosshans, Philippe; Kyritsakas, Nathalie; Ferlay, Sylvie; Henry, Marc; Hosseini, Mir Wais","Crystal formation of 1D coordination polymers based on chiral, achiral and racemic 1,2-cyclohexane scaffolds","CrystEngComm","2020","22","10","1746","1753","10.1039/C9CE01781J","","","0.71073","MoKα","","0.0361","0.0287","","","0.0511","0.0532","","","","","","1.024","","","","has coordinates","257431","2020-10-21","18:00:00",""
"7239783","18.3123","0.0007","18.3932","0.0006","5.8857","0.0003","90","","90","","90","","1982.43","0.14","173","2","173","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C18 H18 Cl2 Hg N2 O4 -","- C18 H18 Cl2 Hg N2 O4 -","- C72 H72 Cl8 Hg4 N8 O16 -","4","1","","Jouaiti, Abdelaziz; Grosshans, Philippe; Kyritsakas, Nathalie; Ferlay, Sylvie; Henry, Marc; Hosseini, Mir Wais","Crystal formation of 1D coordination polymers based on chiral, achiral and racemic 1,2-cyclohexane scaffolds","CrystEngComm","2020","22","10","1746","1753","10.1039/C9CE01781J","","","0.71073","MoKα","","0.0846","0.0614","","","0.1397","0.1454","","","","","","1.22","","","","has coordinates","257431","2020-10-21","18:00:00",""
"7239793","11.9118","0.0006","11.9118","0.0006","10.959","0.0007","90","","90","","120","","1346.65","0.13","294","","294","1","","","","","","","","3","P 63/m c m","-P 6c 2","193","1,3-Adamantanediol","","","- C10 H16 O2 -","- C10 H16 O2 -","- C60 H96 O12 -","6","0.25","","Négrier, Philippe; Ben Hassine, Bacem; Barrio, Maria; Romanini, Michela; MONDIEIG, DENISE; Tamarit, Josep Lluis","Polymorphism of 1,3-X-adamantanes (X=Br, OH, CH3) and the crystal plastic phase formation ability","CrystEngComm","2020","","","","","10.1039/C9CE01910C","","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","247068","2020-10-21","18:00:00",""
"7239794","14.9792","0.0009","9.7677","0.0006","7.2734","0.0005","90","","90","","90","","1064.19","0.12","294","1","294","1","","","","","","","","3","P n m a","-P 2ac 2n","62","1,3-dibromoAdamantane","","","- C10 H14 Br2 -","- C10 H14 Br2 -","- C40 H56 Br8 -","4","0.5","","Négrier, Philippe; Ben Hassine, Bacem; Barrio, Maria; Romanini, Michela; MONDIEIG, DENISE; Tamarit, Josep Lluis","Polymorphism of 1,3-X-adamantanes (X=Br, OH, CH3) and the crystal plastic phase formation ability","CrystEngComm","2020","","","","","10.1039/C9CE01910C","","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","247069","2020-10-21","18:00:00",""
"7239795","7.7576","0.0018","12.0856","0.0002","11.7068","0.0019","90","","112.271","0.012","90","","1015.7","0.3","120","1","120","1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","1,3-dimethyAdamantane","","","- C12 H20 -","- C12 H20 -","- C48 H80 -","4","1","","Négrier, Philippe; Ben Hassine, Bacem; Barrio, Maria; Romanini, Michela; MONDIEIG, DENISE; Tamarit, Josep Lluis","Polymorphism of 1,3-X-adamantanes (X=Br, OH, CH3) and the crystal plastic phase formation ability","CrystEngComm","2020","","","","","10.1039/C9CE01910C","","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","247070","2020-10-21","18:00:00",""
"7239796","5.6","0.0005","7.2286","0.0006","8.4078","0.0008","109.17","0.008","93.81","0.007","103.285","0.007","309.12","0.05","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H5 N3 O4 -","- C4 H5 N3 O4 -","- C8 H10 N6 O8 -","2","1","","Widelicka, Małgorzata; Ławniczak, Paweł; Pietraszko, Adam; Pogorzelec-Glaser, Katarzyna; Łapiński, Andrzej","Investigation of the thermal and conductive properties of oxalic acid salts with planar and undulating proton-conducting layers","CrystEngComm","2020","22","11","2031","2041","10.1039/C9CE01397K","","","0.71073","MoKα","","0.0828","0.0465","","","0.1068","0.1261","","","","","","1.112","","","","has coordinates","257486","2020-10-21","18:00:00",""
"7239811","9.1672","0.0004","9.2117","0.0005","14.89","0.0008","86.026","0.003","72.591","0.002","65.538","0.002","1089.94","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H24 N6 O2 S -","- C22 H24 N6 O2 S -","- C44 H48 N12 O4 S2 -","2","1","","Sarmah, Kashyap Kumar; Nath, Nilamoni; Rao, Dharmaraj R.; Thakuria, Ranjit","Mechanochemical synthesis of drug‒drug and drug‒nutraceutical multicomponent solids of olanzapine","CrystEngComm","2020","22","6","1120","1130","10.1039/C9CE01504C","","","0.71073","MoKα","","0.0538","0.0419","","","0.1295","0.156","","","","","","1.097","","","","has coordinates","257473","2020-10-21","18:00:00",""
"7239812","9.5404","0.0007","13.9656","0.0009","18.1238","0.0012","90","","102.142","0.003","90","","2360.7","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 N4 O5 S -","- C24 H26 N4 O5 S -","- C96 H104 N16 O20 S4 -","4","1","","Sarmah, Kashyap Kumar; Nath, Nilamoni; Rao, Dharmaraj R.; Thakuria, Ranjit","Mechanochemical synthesis of drug‒drug and drug‒nutraceutical multicomponent solids of olanzapine","CrystEngComm","2020","22","6","1120","1130","10.1039/C9CE01504C","","","0.71073","MoKα","","0.0732","0.0463","","","0.1163","0.1318","","","","","","1.047","","","","has coordinates","257473","2020-10-21","18:00:00",""
"7239813","11.973","0.0005","18.2134","0.0007","11.9964","0.0004","90","","96.699","0.002","90","","2598.18","0.17","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 N4 O7 S -","- C24 H30 N4 O7 S -","- C96 H120 N16 O28 S4 -","4","1","","Sarmah, Kashyap Kumar; Nath, Nilamoni; Rao, Dharmaraj R.; Thakuria, Ranjit","Mechanochemical synthesis of drug‒drug and drug‒nutraceutical multicomponent solids of olanzapine","CrystEngComm","2020","22","6","1120","1130","10.1039/C9CE01504C","","","0.71073","MoKα","","0.0895","0.0618","","","0.1489","0.1613","","","","","","1.208","","","","has coordinates","257473","2020-10-21","18:00:00",""
"7239814","9.9166","0.001","13.3673","0.0014","23.035","0.002","90","","97.163","0.005","90","","3029.6","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 N4 O9 S -","- C28 H32 N4 O9 S -","- C112 H128 N16 O36 S4 -","4","1","","Sarmah, Kashyap Kumar; Nath, Nilamoni; Rao, Dharmaraj R.; Thakuria, Ranjit","Mechanochemical synthesis of drug‒drug and drug‒nutraceutical multicomponent solids of olanzapine","CrystEngComm","2020","22","6","1120","1130","10.1039/C9CE01504C","","","0.71073","MoKα","","0.1234","0.0781","","","0.2347","0.2804","","","","","","1.038","","","","has coordinates","257473","2020-10-21","18:00:00",""
"7239815","18.805","0.005","15.975","0.004","27.184","0.006","90","0.02","92.65","0.02","90","0.02","8158","3","293","","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","adamantan-1-aminium trinitrophloroglucinolate hydrate ethanol solvate","adamantan-1-aminium trinitrobenzene-1,3,5-tris(olate) hydrate ethanol solvate","","- C74 H114 N12 O20 -","- C74 H114 N12 O20 -","- C296 H456 N48 O80 -","4","1","","Smokrović, Kristina; Stilinovic, Vladimir","Stoichiometry of Adamantylamine-Trinitrophloroglucinol Salts Controlled by Solvate Formation","CrystEngComm","2020","","","","","10.1039/C9CE01957J","","x-ray","0.71073","MoKα","","0.2689","0.1475","","","0.3586","0.4628","","","","","","1.159","","","","has coordinates,has disorder","247175","2020-10-21","18:00:00",""
"7239816","14.445","0.005","17.013","0.0019","15.845","0.004","90","","108.81","0.04","90","","3686","1.9","293","2","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","adamantan-1-aminium hydrogentrinitrophloroglucinolate tetrahydrofurane solvate","adamantan-1-aminium trinitrobenzene-1,3,5-tris(olate) tetrahydrofurane solvate","","- C34 H53 N5 O11 -","- C34 H53 N5 O11 -","- C136 H212 N20 O44 -","4","0.5","","Smokrović, Kristina; Stilinovic, Vladimir","Stoichiometry of Adamantylamine-Trinitrophloroglucinol Salts Controlled by Solvate Formation","CrystEngComm","2020","","","","","10.1039/C9CE01957J","","x-ray","0.71073","MoKα","","0.3257","0.1303","","","0.2939","0.3522","","","","","","1.365","","","","has coordinates,has disorder","247175","2020-10-21","18:00:00",""
"7239817","14.4004","0.0012","16.1041","0.0009","18.7528","0.001","90","","105.42","0.007","90","","4192.3","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","adamantan-1-aminium trinitrophloroglucinolate hydrate","adamantan-1-aminium trinitrobenzene-1,3,5-tris(olate) hydrate","","- C36 H54 N6 O11 -","- C36 H54 N6 O11 -","- C144 H216 N24 O44 -","4","1","","Smokrović, Kristina; Stilinovic, Vladimir","Stoichiometry of Adamantylamine-Trinitrophloroglucinol Salts Controlled by Solvate Formation","CrystEngComm","2020","","","","","10.1039/C9CE01957J","","x-ray","0.71073","MoKα","","0.2051","0.1146","","","0.3129","0.3805","","","","","","1.046","","","","has coordinates,has disorder","247175","2020-10-21","18:00:00",""
"7239818","18.9589","0.0006","16.0224","0.0007","26.5928","0.0013","90","","93.164","0.004","90","","8065.7","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","adamantan-1-aminium trinitrophloroglucinolate hydrate methanol solvate","adamantan-1-aminium trinitrobenzene-1,3,5-tris(olate) hydrate methanol solvate","","- C73 H114 N12 O20 -","- C73 H114 N12 O20 -","- C292 H456 N48 O80 -","4","1","","Smokrović, Kristina; Stilinovic, Vladimir","Stoichiometry of Adamantylamine-Trinitrophloroglucinol Salts Controlled by Solvate Formation","CrystEngComm","2020","","","","","10.1039/C9CE01957J","","x-ray","0.71073","MoKα","","0.2384","0.1103","","","0.2936","0.3772","","","","","","0.971","","","","has coordinates,has disorder","247175","2020-10-21","18:00:00",""
"7239819","11.1478","0.0003","22.3581","0.0008","29.9866","0.0012","90","","90","","90","","7474","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","adamantan-1-aminium dihydrogentrinitrophloroglucinolate","adamantan-1-aminium trinitrobenzene-1,3,5-tris(olate)","","- C16 H20 N4 O9 -","- C16 H20 N4 O9 -","- C256 H320 N64 O144 -","16","2","","Smokrović, Kristina; Stilinovic, Vladimir","Stoichiometry of Adamantylamine-Trinitrophloroglucinol Salts Controlled by Solvate Formation","CrystEngComm","2020","","","","","10.1039/C9CE01957J","","x-ray","0.71073","MoKα","","0.0963","0.0648","","","0.1527","0.1699","","","","","","1.044","","","","has coordinates","247175","2020-10-21","18:00:00",""
"7239820","18.37","0.003","16.06","0.002","27.34","0.003","90","","90","","90","","8065.9","1.9","298","","298","","","","","","","","","5","P n a 21","P 2c -2n","33","adamantan-1-aminium trinitrophloroglucinolate bis(2,2,2-trifluoroethanol) solvate","adamantan-1-aminium trinitrobenzene-1,3,5-tris(olate) bis(2,2,2-trifluoroethanol) solvate","","- C76 H114 F6 N12 O20 -","- C76 H114 F6 N12 O19.9998 -","- C304 H456 F24 N48 O79.9992 -","4","1","","Smokrović, Kristina; Stilinovic, Vladimir","Stoichiometry of Adamantylamine-Trinitrophloroglucinol Salts Controlled by Solvate Formation","CrystEngComm","2020","","","","","10.1039/C9CE01957J","","x-ray","0.71073","MoKα","","0.3572","0.1129","","","0.2217","0.3249","","","","","","0.909","","","","has coordinates,has disorder","247175","2020-10-21","18:00:00",""
"7239821","11.5708","0.0006","14.8651","0.0009","17.1263","0.0008","101.65","0.004","108.206","0.005","107.592","0.005","2520.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H76 N6 O14 S3 -","- C42 H76 N6 O14 S3 -","- C84 H152 N12 O28 S6 -","2","1","","Smokrović, Kristina; Stilinovic, Vladimir","Stoichiometry of Adamantylamine-Trinitrophloroglucinol Salts Controlled by Solvate Formation","CrystEngComm","2020","","","","","10.1039/C9CE01957J","","x-ray","0.71073","MoKα","","0.1231","0.0817","","","0.1982","0.2257","","","","","","1.022","","","","has coordinates,has disorder","247175","2020-10-21","18:00:00",""
"7239822","16.1105","0.0014","26.198","0.003","35.156","0.005","90","","90","","90","","14838","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","adamantan-1-aminium hydrogentrinitrophloroglucinolate trinitrophloroglucinolate hydrate methanol solvate","adamantan-1-aminium 5-hydroxy-2,4,6-trinitrobenzene-1,3-bis(olate) trinitrobenzene-1,3,5-tris(olate) hydrate methanol solvate","","- C66 H106 N11 O23 -","- C66 H106 N11 O23 -","- C528 H848 N88 O184 -","8","1","","Smokrović, Kristina; Stilinovic, Vladimir","Stoichiometry of Adamantylamine-Trinitrophloroglucinol Salts Controlled by Solvate Formation","CrystEngComm","2020","","","","","10.1039/C9CE01957J","","x-ray","0.71073","MoKα","","0.4225","0.1872","","","0.2621","0.3583","","","","","","1.024","","","","has coordinates","247175","2020-10-21","18:00:00",""
"7239823","12.7841","0.0009","6.8465","0.0004","21.4945","0.0014","90","","105.996","0.007","90","","1808.5","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","adamantan-1-aminium picrate monohydrate","adamantan-1-aminium 2,4,6-trinitrobenzen-1-olate monohydrate","","- C16 H22 N4 O8 -","- C16 H22 N4 O8 -","- C64 H88 N16 O32 -","4","1","","Smokrović, Kristina; Stilinovic, Vladimir","Stoichiometry of Adamantylamine-Trinitrophloroglucinol Salts Controlled by Solvate Formation","CrystEngComm","2020","","","","","10.1039/C9CE01957J","","x-ray","0.71073","MoKα","","0.151","0.0862","","","0.1759","0.2078","","","","","","1.057","","","","has coordinates,has disorder","247175","2020-10-21","18:00:00",""
"7239824","18.4656","0.0011","16.0811","0.0011","27.4522","0.0018","90","","90","","90","","8151.9","0.9","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","adamantan-1-aminium trinitrophloroglucinolate propan-1-ol solvate","adamantan-1-aminium trinitrobenzene-1,3,5-tris(olate) propan-1-ol solvate","","- C78 H124 N12 O20 -","- C78 H124 N12 O20 -","- C312 H496 N48 O80 -","4","1","","Smokrović, Kristina; Stilinovic, Vladimir","Stoichiometry of Adamantylamine-Trinitrophloroglucinol Salts Controlled by Solvate Formation","CrystEngComm","2020","","","","","10.1039/C9CE01957J","","x-ray","0.71073","MoKα","","0.2896","0.0902","","","0.1471","0.2101","","","","","","0.929","","","","has coordinates,has disorder","247175","2020-10-21","18:00:00",""
"7239825","14.2574","0.0009","17.0725","0.0007","15.864","0.0009","90","","113.279","0.007","90","","3547.1","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","adamantan-1-aminium picrate monohydrate","adamantan-1-aminium 2,4,6-trinitrobenzen-1-olate monohydrate","","- C30 H49 N5 O10 S2 -","- C30 H49 N5 O10 S2 -","- C120 H196 N20 O40 S8 -","4","0.5","","Smokrović, Kristina; Stilinovic, Vladimir","Stoichiometry of Adamantylamine-Trinitrophloroglucinol Salts Controlled by Solvate Formation","CrystEngComm","2020","","","","","10.1039/C9CE01957J","","x-ray","0.71073","MoKα","","0.081","0.0592","","","0.1481","0.1622","","","","","","1.041","","","","has coordinates,has disorder","247175","2020-10-21","18:00:00",""
"7239826","17.5039","0.0007","18.8674","0.0006","20.3861","0.0007","90","","103.005","0.004","90","","6559.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","adamantan-1-aminium hidrohentrinitrophloroglucinolate 2,2,2-trifluoroethanol solvate","adamantan-1-aminium 5-hydroxytrinitrobenzene-1,3-bis(olate) 2,2,2-trifluoroethanol solvate","","- C56 H78 F6 N10 O20 -","- C56 H78 F6 N10 O20 -","- C224 H312 F24 N40 O80 -","4","1","","Smokrović, Kristina; Stilinovic, Vladimir","Stoichiometry of Adamantylamine-Trinitrophloroglucinol Salts Controlled by Solvate Formation","CrystEngComm","2020","","","","","10.1039/C9CE01957J","","x-ray","0.71073","MoKα","","0.175","0.1245","","","0.3587","0.3987","","","","","","1.405","","","","has coordinates,has disorder","247175","2020-10-21","18:00:00",""
"7239827","10.2615","0.0007","17.7734","0.001","8.8411","0.0007","90","","113.363","0.008","90","","1480.3","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","methyl-1-aminium trinitrophloroglucinolate","methyl-1-aminium trinitrobenzene-1,3,5-tris(olate)","","- C6 H12 N4 O6 -","- C6 H12 N4 O6 -","- C36 H72 N24 O36 -","6","1.5","","Smokrović, Kristina; Stilinovic, Vladimir","Stoichiometry of Adamantylamine-Trinitrophloroglucinol Salts Controlled by Solvate Formation","CrystEngComm","2020","","","","","10.1039/C9CE01957J","","x-ray","0.71073","MoKα","","0.0594","0.0443","","","0.1133","0.1227","","","","","","1.035","","","","has coordinates","247175","2020-10-21","18:00:00",""
"7239828","21.8759","0.0013","16.7522","0.0008","15.7197","0.001","90","","110.086","0.007","90","","5410.4","0.6","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","tertbutylaminium trinitrophloroglucinolate hydrate methanol solvate","2-methylpropyl-2-aminium trinitrobenzene-1,3,5-tris(olate) hydrate methanol solvate","","- C37 H82 N12 O22 -","- C37 H82 N12 O22 -","- C148 H328 N48 O88 -","4","1","","Smokrović, Kristina; Stilinovic, Vladimir","Stoichiometry of Adamantylamine-Trinitrophloroglucinol Salts Controlled by Solvate Formation","CrystEngComm","2020","","","","","10.1039/C9CE01957J","","x-ray","0.71073","MoKα","","0.2168","0.1141","","","0.1863","0.2264","","","","","","1.089","","","","has coordinates","247175","2020-10-21","18:00:00",""
"7239833","11.5837","0.0012","11.636","0.001","14.9736","0.0015","84.127","0.008","69.621","0.009","81.635","0.008","1868.9","0.3","150","2","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C34 H46 N2 S4 Sn2 -","- C34 H46 N2 S4 Sn2 -","- C68 H92 N4 S8 Sn4 -","2","1","","Kumar, Abhinav; Singh, Pooja; SINGH, AMITA; Singh, Ayushi; Singh, Ashish; Kociok-Kohn, Gabriele; Alowais, Ahmad; Abduh, Naaser A. Y.; Muddassir, Mohd.","New 1D Diorganotin(IV) Dithiolate Coordination Polymers: Crystallographic, Computational, Hirshfeld Surface and Thermal Analyses","CrystEngComm","2020","","","","","10.1039/C9CE01917K","","x-ray","0.71073","MoKα","","0.1152","0.0765","","","0.1717","0.2054","","","","","","1.066","","","","has coordinates","247276","2020-10-21","18:00:00",""
"7239834","12.7459","0.0003","10.8694","0.0002","18.1443","0.0004","90","","90","","90","","2513.72","0.09","150","2","150","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C22 H22 N2 S4 Sn2 -","- C22 H22 N2 S4 Sn2 -","- C88 H88 N8 S16 Sn8 -","4","1","","Kumar, Abhinav; Singh, Pooja; SINGH, AMITA; Singh, Ayushi; Singh, Ashish; Kociok-Kohn, Gabriele; Alowais, Ahmad; Abduh, Naaser A. Y.; Muddassir, Mohd.","New 1D Diorganotin(IV) Dithiolate Coordination Polymers: Crystallographic, Computational, Hirshfeld Surface and Thermal Analyses","CrystEngComm","2020","","","","","10.1039/C9CE01917K","","x-ray","0.71073","MoKα","","0.034","0.031","","","0.0745","0.0761","","","","","","1.09","","","","has coordinates","247276","2020-10-21","18:00:00",""
"7239836","8.3178","0.0002","8.9144","0.0002","8.987","0.0003","64.183","0.003","86.148","0.002","78.931","0.002","588.6","0.03","299.6","0.3","299.6","0.3","","","","","","","","6","P -1","-P 1","2","","","","- C6 H16 N2 O7 P2 Zn -","- C6 H16 N2 O7 P2 Zn -","- C12 H32 N4 O14 P4 Zn2 -","2","1","","Zhou, Shufang; wu, guomei; Lin, Tian; Zhang, Chenxi; Wang, Qing-Lun","A dual-function metal phosphate for high proton conduction and selective luminescence turn-on sensing of Co2+ ions","CrystEngComm","2020","","","","","10.1039/C9CE02031D","","x-ray","1.54184","CuKα","","0.0326","0.0304","","","0.0841","0.0853","","","","","","1.104","","","","has coordinates","247330","2020-10-21","18:00:00",""
"7239837","11.2742","0.0003","15.1845","0.0005","21.7739","0.0008","90","","96.828","0.003","90","","3701.1","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H35 Dy2 N7 O14 -","- C33 H35 Dy2 N7 O14 -","- C132 H140 Dy8 N28 O56 -","4","1","","Zhang, Sheng; shen, nan; liu, sha; Ma, Rong; Zhang, Yi-Quan; Hu, Dengwei; Liu, Xiangyu; Zhang, Jiangwei; Yang, Desuo","The Rare CH3O-/CH3CH2O‒Bridged Nine-Coordinated Binuclear DyIII Single-Molecule Magnets (SMMs) Significantly Regulate and Enhance the Effective Energy Barriers","CrystEngComm","2020","","","","","10.1039/C9CE02000D","","x-ray","1.54184","CuKα","","0.0731","0.0496","","","0.117","0.13","","","","","","1.03","","","","has coordinates","247362","2020-10-21","18:00:00",""
"7239838","11.3326","0.0004","15.5518","0.0006","21.8107","0.0008","90","","97.484","0.003","90","","3811.2","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H37 Dy2 N7 O14 -","- C34 H37 Dy2 N7 O14 -","- C136 H148 Dy8 N28 O56 -","4","1","","Zhang, Sheng; shen, nan; liu, sha; Ma, Rong; Zhang, Yi-Quan; Hu, Dengwei; Liu, Xiangyu; Zhang, Jiangwei; Yang, Desuo","The Rare CH3O-/CH3CH2O‒Bridged Nine-Coordinated Binuclear DyIII Single-Molecule Magnets (SMMs) Significantly Regulate and Enhance the Effective Energy Barriers","CrystEngComm","2020","","","","","10.1039/C9CE02000D","","x-ray","1.54184","CuKα","","0.079","0.0622","","","0.1563","0.1851","","","","","","1.059","","","","has coordinates","247362","2020-10-21","18:00:00",""
"7239839","7.4833","0.0002","8.152","0.0002","16.1344","0.0004","98.002","0.001","91.532","0.001","102.448","0.001","950.12","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H19 N5 O4 S -","- C18 H19 N5 O4 S -","- C36 H38 N10 O8 S2 -","2","1","","Ahuja, Dipali; Ramisetty, Kiran A.; Sumanth, Peraka Krishna; Crowley, Clare M.; Lusi, Matteo; Rasmuson, Åke C.","Microwave assisted slurry conversion crystallization for manufacturing of new co-crystals of sulfamethazine and sulfamerazine","CrystEngComm","2020","22","8","1381","1394","10.1039/C9CE01886G","","","0.71073","MoKα","","0.0482","0.036","","","0.0864","0.0921","","","","","","1.035","","","","has coordinates","257439","2020-10-21","18:00:00",""
"7239840","7.9356","0.0009","10.3848","0.0012","13.1949","0.0015","108.741","0.003","93.495","0.003","109.913","0.003","950.27","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H19 N5 O4 S -","- C18 H19 N5 O4 S -","- C36 H38 N10 O8 S2 -","2","1","","Ahuja, Dipali; Ramisetty, Kiran A.; Sumanth, Peraka Krishna; Crowley, Clare M.; Lusi, Matteo; Rasmuson, Åke C.","Microwave assisted slurry conversion crystallization for manufacturing of new co-crystals of sulfamethazine and sulfamerazine","CrystEngComm","2020","22","8","1381","1394","10.1039/C9CE01886G","","","0.71073","MoKα","","0.0524","0.0409","","","0.109","0.1158","","","","","","1.041","","","","has coordinates","257439","2020-10-21","18:00:00",""
"7239841","12.3517","0.0016","8.3507","0.0011","18.174","0.002","90","","98.788","0.004","90","","1852.6","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 N6 O3 S -","- C18 H20 N6 O3 S -","- C72 H80 N24 O12 S4 -","4","1","","Ahuja, Dipali; Ramisetty, Kiran A.; Sumanth, Peraka Krishna; Crowley, Clare M.; Lusi, Matteo; Rasmuson, Åke C.","Microwave assisted slurry conversion crystallization for manufacturing of new co-crystals of sulfamethazine and sulfamerazine","CrystEngComm","2020","22","8","1381","1394","10.1039/C9CE01886G","","","0.71073","MoKα","","0.1406","0.075","","","0.1519","0.1753","","","","","","1.062","","","","has coordinates","257439","2020-10-21","18:00:00",""
"7239849","9.3329","0.0013","16.012","0.002","16.212","0.002","107.789","0.005","90.226","0.005","97.585","0.005","2284.2","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H40 B2 O20 Tb2 -","- C42 H28 B2 O20 Tb2 -","- C84 H56 B4 O40 Tb4 -","2","1","","Abdallah, Ahmad; Puget, Marin; Daiguebonne, Carole; Suffren, Yan; Calvez, Guillaume; Bernot, Kevin; Guillou, Olivier","A new series of lanthanide-based complexes with a bis(hydroxy)benzoxaborolone ligand: synthesis, crystal structure, and magnetic and optical properties","CrystEngComm","2020","22","11","2020","2030","10.1039/C9CE01592B","","x-ray","0.71073","MoKα","","0.0738","0.0548","","","0.1441","0.1547","","","","","","1.056","","","","has coordinates","257485","2020-10-21","18:00:00",""
"7239850","4.5881","0.0013","6.5905","0.0016","29.664","0.008","90","","90","","90","","897","0.4","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H6 B Na O5 -","- C7 H4 B Na O5 -","- C28 H16 B4 Na4 O20 -","4","1","","Abdallah, Ahmad; Puget, Marin; Daiguebonne, Carole; Suffren, Yan; Calvez, Guillaume; Bernot, Kevin; Guillou, Olivier","A new series of lanthanide-based complexes with a bis(hydroxy)benzoxaborolone ligand: synthesis, crystal structure, and magnetic and optical properties","CrystEngComm","2020","22","11","2020","2030","10.1039/C9CE01592B","","x-ray","0.71073","MoKα","","0.0539","0.0487","","","0.1378","0.1404","","","","","","1.022","","","","has coordinates","257485","2020-10-21","18:00:00",""
"7239851","18.42","0.004","10.567","0.002","8.8377","0.0018","90","","90","","90","","1720.2","0.6","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C12 H12 Co N10 Na O -","- C12 H12 Co N10 Na O -","- C48 H48 Co4 N40 Na4 O4 -","4","0.5","","Shi, Chao; Gong, Zhi-Xin; Wang, Qin-Wen; Han, Xiang-Bin; Zhang, Wen","Role of the B′-site metal ion in the framework structures and dielectric transitions in host‒guest type cyanometalates (HIm)2[B′Co(CN)6] (HIm = imidazolium cation)","CrystEngComm","2020","22","10","1848","1852","10.1039/C9CE01739A","","","0.71073","MoKα","","0.0334","0.0288","","","0.0675","0.0694","","","","","","1.131","","","","has coordinates","257432","2020-10-21","18:00:00",""
"7239852","13.61","0.02","8.824","0.011","15.27","0.02","90","","111.68","0.02","90","","1704","4","93","2","93","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Co N10 Rb -","- C12 H10 Co N10 Rb -","- C48 H40 Co4 N40 Rb4 -","4","0.5","","Shi, Chao; Gong, Zhi-Xin; Wang, Qin-Wen; Han, Xiang-Bin; Zhang, Wen","Role of the B′-site metal ion in the framework structures and dielectric transitions in host‒guest type cyanometalates (HIm)2[B′Co(CN)6] (HIm = imidazolium cation)","CrystEngComm","2020","22","10","1848","1852","10.1039/C9CE01739A","","","0.71073","MoKα","","0.1071","0.0889","","","0.2648","0.2788","","","","","","1.113","","","","has coordinates","257432","2020-10-21","18:00:00",""
"7239853","8.8569","0.0003","8.8569","0.0003","19.0362","0.0009","90","","90","","120","","1293.23","0.09","193","2","193","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C12 H10 Co N10 Rb -","- C11.001 Co N6 Rb -","- C33.003 Co3 N18 Rb3 -","3","0.166667","","Shi, Chao; Gong, Zhi-Xin; Wang, Qin-Wen; Han, Xiang-Bin; Zhang, Wen","Role of the B′-site metal ion in the framework structures and dielectric transitions in host‒guest type cyanometalates (HIm)2[B′Co(CN)6] (HIm = imidazolium cation)","CrystEngComm","2020","22","10","1848","1852","10.1039/C9CE01739A","","","0.71073","MoKα","","0.0784","0.0748","","","0.2396","0.2415","","","","","","1.284","","","","has coordinates","257432","2020-10-21","18:00:00",""
"7239854","8.8341","0.0017","8.8341","0.0017","19.308","0.003","90","","90","","120","","1304.9","0.4","293","2","293","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C12 H10 Co N10 Rb -","- C16.02 Co N6 Rb -","- C48.06 Co3 N18 Rb3 -","3","0.0833333","","Shi, Chao; Gong, Zhi-Xin; Wang, Qin-Wen; Han, Xiang-Bin; Zhang, Wen","Role of the B′-site metal ion in the framework structures and dielectric transitions in host‒guest type cyanometalates (HIm)2[B′Co(CN)6] (HIm = imidazolium cation)","CrystEngComm","2020","22","10","1848","1852","10.1039/C9CE01739A","","","0.71073","MoKα","","0.045","0.0421","","","0.1441","0.1481","","","","","","1.254","","","","has coordinates,has disorder","257432","2020-10-21","18:00:00",""
"7239861","7.4557","0.0003","12.6096","0.0005","13.7586","0.0003","94.478","0.003","98.662","0.003","101.166","0.003","1246.84","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C10.8 H7.2 Co0.4 N0.8 O3.2 S0.4 -","- C10.8 H6.4 Co0.4 N0.8 O3.2 S0.4 -","- C54 H32 Co2 N4 O16 S2 -","5","2.5","","Tu, Qian-Qian; Ren, Ling-Ling; Cui, Ying-Ying; Cheng, Ai-Ling; Gao, En-Qing","Assembly of four new cobalt coordination polymers modulated by N-coligands: sensitive and selective sensing of nitroaromatics, Fe3+ and Cr2O72− in water","CrystEngComm","2020","22","10","1789","1801","10.1039/C9CE01757G","","","1.54184","CuKα","","0.0534","0.0466","","","0.1213","0.1255","","","","","","1.03","","","","has coordinates,has disorder","257430","2020-10-21","18:00:00",""
"7239862","10.5883","0.0004","12.9921","0.0005","14.4442","0.0005","63.887","0.004","79.26","0.003","79.327","0.003","1740.9","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C9.29 H5.71 Co0.43 N0.57 O3 S0.43 -","- C9.28571 H5.28571 Co0.428571 N0.571429 O3 S0.428571 -","- C65 H37 Co3 N4 O21 S3 -","7","3.5","","Tu, Qian-Qian; Ren, Ling-Ling; Cui, Ying-Ying; Cheng, Ai-Ling; Gao, En-Qing","Assembly of four new cobalt coordination polymers modulated by N-coligands: sensitive and selective sensing of nitroaromatics, Fe3+ and Cr2O72− in water","CrystEngComm","2020","22","10","1789","1801","10.1039/C9CE01757G","","","1.54184","CuKα","","0.1009","0.0915","","","0.2145","0.2196","","","","","","1.096","","","","has coordinates,has disorder","257430","2020-10-21","18:00:00",""
"7239863","10.8048","0.0004","12.8422","0.0007","14.3174","0.0005","65.558","0.004","81.826","0.003","79.139","0.004","1771.62","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C8.62 H5 Co0.38 N0.5 O2.62 S0.38 -","- C8.625 H4.125 Co0.375 N0.5 O2.625 S0.375 -","- C69 H33 Co3 N4 O21 S3 -","8","4","","Tu, Qian-Qian; Ren, Ling-Ling; Cui, Ying-Ying; Cheng, Ai-Ling; Gao, En-Qing","Assembly of four new cobalt coordination polymers modulated by N-coligands: sensitive and selective sensing of nitroaromatics, Fe3+ and Cr2O72− in water","CrystEngComm","2020","22","10","1789","1801","10.1039/C9CE01757G","","","1.54184","CuKα","","0.1596","0.1469","","","0.4052","0.4196","","","","","","1.247","","","","has coordinates,has disorder","257430","2020-10-21","18:00:00",""
"7239864","17.876","0.002","27.491","0.002","11.3809","0.001","90","","90","","90","","5592.9","0.9","293","2","293","2","","","","","","","","6","P b a m","-P 2 2ab","55","","","","- C4.17 H2.67 Co0.17 N0.33 O1.17 S0.17 -","- C4.16667 H2 Co0.166667 N0.333333 O1.16667 S0.166667 -","- C100 H48 Co4 N8 O28 S4 -","24","3","","Tu, Qian-Qian; Ren, Ling-Ling; Cui, Ying-Ying; Cheng, Ai-Ling; Gao, En-Qing","Assembly of four new cobalt coordination polymers modulated by N-coligands: sensitive and selective sensing of nitroaromatics, Fe3+ and Cr2O72− in water","CrystEngComm","2020","22","10","1789","1801","10.1039/C9CE01757G","","","1.54184","CuKα","","0.186","0.0848","","","0.2211","0.2735","","","","","","0.931","","","","has coordinates","257430","2020-10-21","18:00:00",""
"7239865","10.0426","0.0014","15.734","0.002","17.504","0.003","101.186","0.002","96.301","0.002","101.842","0.002","2623.1","0.7","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H34 Cl4 Cu24 Mo12 N48 O41 P -","- C32 H34 Cl4 Cu24 Mo12 N48 O41 P -","- C32 H34 Cl4 Cu24 Mo12 N48 O41 P -","1","0.5","","Yang, Xiya; Zhu, Peipei; Ma, Xiaoliang; Li, Wenjing; Tan, Zenglong; Sha, Jingquan","Graphite-like polyoxometalate-based metal‒organic framework as an efficient anode for lithium ion batteries","CrystEngComm","2020","","","","","10.1039/C9CE01936G","","","0.71073","MoKα","","0.0757","0.0472","","","0.1338","0.1527","","","","","","1.038","","","","has coordinates","247513","2020-10-21","18:00:00",""
"7239868","30.2857","0.0013","16.998","0.0007","28.4898","0.0012","90","","95.403","0.002","90","","14601.3","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H38 N3 O26 Zn5 -","- C46 H38 N3 O26 Zn5 -","- C368 H304 N24 O208 Zn40 -","8","1","","Wang, Ce; Yin, Zheng; Cheng, Zhao; Ma, Wei-Min; Li, Xi-Yao; Hu, Xiao-Ting; Shi, Rong; Chen, Ao-Wei; Ma, Yang-Min","A series of anionic MOFs with cluster-based, pillared-layer and rod-spacer motifs: near-sunlight white-light emission and selective dye capture","CrystEngComm","2020","22","5","878","887","10.1039/C9CE01691K","","","0.71073","MoKα","","0.181","0.1335","","","0.3646","0.3997","","","","","","1.054","","","","has coordinates","257446","2020-10-21","18:00:00",""
"7239869","9.4648","0.0003","16.2782","0.0006","11.5458","0.0004","90","","97.104","0.002","90","","1765.2","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 Mn N2 O7 -","- C15 H20 Mn N2 O7 -","- C60 H80 Mn4 N8 O28 -","4","1","","Wang, Ce; Yin, Zheng; Cheng, Zhao; Ma, Wei-Min; Li, Xi-Yao; Hu, Xiao-Ting; Shi, Rong; Chen, Ao-Wei; Ma, Yang-Min","A series of anionic MOFs with cluster-based, pillared-layer and rod-spacer motifs: near-sunlight white-light emission and selective dye capture","CrystEngComm","2020","22","5","878","887","10.1039/C9CE01691K","","","0.71073","MoKα","","0.0963","0.0766","","","0.2293","0.2451","","","","","","1.097","","","","has coordinates","257446","2020-10-21","18:00:00",""
"7239870","20.1064","0.0005","14.018","0.0004","18.9293","0.0005","90","","118.072","0.002","90","","4707.6","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H17 Cd5 O24 -","- C27 H17 Cd5 O24 -","- C108 H68 Cd20 O96 -","4","1","","Wang, Ce; Yin, Zheng; Cheng, Zhao; Ma, Wei-Min; Li, Xi-Yao; Hu, Xiao-Ting; Shi, Rong; Chen, Ao-Wei; Ma, Yang-Min","A series of anionic MOFs with cluster-based, pillared-layer and rod-spacer motifs: near-sunlight white-light emission and selective dye capture","CrystEngComm","2020","22","5","878","887","10.1039/C9CE01691K","","","0.71073","MoKα","","0.2691","0.2531","","","0.5548","0.5618","","","","","","1.111","","","","has coordinates","257446","2020-10-21","18:00:00",""
"7239871","12.5634","0.0003","16.1618","0.0003","17.1222","0.0003","90","","90","","90","","3476.61","0.12","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C11 H11 Cd N2 O5 -","- C11 H9 Cd N O6 -","- C88 H72 Cd8 N8 O48 -","8","1","","Wang, Ce; Yin, Zheng; Cheng, Zhao; Ma, Wei-Min; Li, Xi-Yao; Hu, Xiao-Ting; Shi, Rong; Chen, Ao-Wei; Ma, Yang-Min","A series of anionic MOFs with cluster-based, pillared-layer and rod-spacer motifs: near-sunlight white-light emission and selective dye capture","CrystEngComm","2020","22","5","878","887","10.1039/C9CE01691K","","","1.54184","CuKα","","0.0452","0.041","","","0.1205","0.137","","","","","","1.126","","","","has coordinates","257446","2020-10-21","18:00:00",""
"7239872","34.2808","0.0008","19.8399","0.0004","18.1612","0.0004","90","","102.818","0.002","90","","12044.1","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H24 Mn3 N O19 -","- C33 H24 Mn3 N O19 -","- C264 H192 Mn24 N8 O152 -","8","1","","Wang, Ce; Yin, Zheng; Cheng, Zhao; Ma, Wei-Min; Li, Xi-Yao; Hu, Xiao-Ting; Shi, Rong; Chen, Ao-Wei; Ma, Yang-Min","A series of anionic MOFs with cluster-based, pillared-layer and rod-spacer motifs: near-sunlight white-light emission and selective dye capture","CrystEngComm","2020","22","5","878","887","10.1039/C9CE01691K","","x-ray","1.54184","CuKα","","0.1111","0.0984","","","0.2865","0.3008","","","","","","1.063","","","","has coordinates","257446","2020-10-21","18:00:00",""
"7239880","7.3992","0.0018","23.598","0.006","7.8738","0.0019","90","","101.882","0.008","90","","1345.4","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 N3 O6 -","- C12 H15 N3 O6 -","- C48 H60 N12 O24 -","4","1","","Zheng, Kang; Gao, Sijia; Chen, Meishan; Li, Ao; Wu, Weiwei; Qian, Shaosong; Pang, Qiuxiang","Color tuning of an active pharmaceutical ingredient through cocrystallization: a case study of a metronidazole‒pyrogallol cocrystal","CrystEngComm","2020","22","8","1404","1413","10.1039/C9CE01726G","","","0.71073","MoKα","","0.0637","0.0481","","","0.1193","0.1294","","","","","","1.034","","","","has coordinates","257438","2020-10-21","18:00:00",""
"7239884","16.2697","0.001","9.5846","0.0005","13.562","0.0009","90","","111.878","0.007","90","","1962.5","0.2","140","2","140","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C6 H20 Br2 Cl6 N2 Te -","- C6 H20 Br2 Cl6 N2 Te -","- C24 H80 Br8 Cl24 N8 Te4 -","4","1","","Usoltsev, Andrey N.; Adonin, Sergey A.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.; Fedin, Vladimir P.","Chlorotellurate(iv) supramolecular associates with “trapped” Br2: features of non-covalent halogen⋯halogen interactions in crystalline phases","CrystEngComm","2020","22","11","1985","1990","10.1039/C9CE01820D","","x-ray","0.71073","MoKα","","0.0284","0.0274","","","0.0661","0.0667","","","","","","1.051","","","","has coordinates","257483","2020-10-21","18:00:00",""
"7239885","7.7903","0.0004","8.952","0.0005","17.1961","0.001","100.706","0.005","97.205","0.005","108.223","0.005","1097.41","0.12","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H16 Br2 Cl6 N2 Te -","- C12 H16 Br2 Cl6 N2 Te -","- C24 H32 Br4 Cl12 N4 Te2 -","2","1","","Usoltsev, Andrey N.; Adonin, Sergey A.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.; Fedin, Vladimir P.","Chlorotellurate(iv) supramolecular associates with “trapped” Br2: features of non-covalent halogen⋯halogen interactions in crystalline phases","CrystEngComm","2020","22","11","1985","1990","10.1039/C9CE01820D","","x-ray","0.71073","MoKα","","0.0465","0.0345","","","0.0688","0.074","","","","","","1.06","","","","has coordinates,has disorder","257483","2020-10-21","18:00:00",""
"7239886","9.2138","0.0002","9.2138","0.0002","25.0947","0.0008","90","","90","","90","","2130.39","0.09","140","2","140","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C12 H16 Br2 Cl6 N2 Te -","- C12 H16 Br2 Cl6 N2 Te -","- C48 H64 Br8 Cl24 N8 Te4 -","4","0.5","","Usoltsev, Andrey N.; Adonin, Sergey A.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.; Fedin, Vladimir P.","Chlorotellurate(iv) supramolecular associates with “trapped” Br2: features of non-covalent halogen⋯halogen interactions in crystalline phases","CrystEngComm","2020","22","11","1985","1990","10.1039/C9CE01820D","","x-ray","0.71073","MoKα","","0.0315","0.0271","","","0.0412","0.0422","","","","","","1.063","","","","has coordinates","257483","2020-10-21","18:00:00",""
"7239887","16.8313","0.0008","9.4395","0.0004","13.2246","0.0006","90","","109.26","0.005","90","","1983.52","0.17","140","2","140","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H12 Br2 Cl6 N2 Te -","- C10 H12 Br2 Cl6 N2 Te -","- C40 H48 Br8 Cl24 N8 Te4 -","4","0.5","","Usoltsev, Andrey N.; Adonin, Sergey A.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.; Fedin, Vladimir P.","Chlorotellurate(iv) supramolecular associates with “trapped” Br2: features of non-covalent halogen⋯halogen interactions in crystalline phases","CrystEngComm","2020","22","11","1985","1990","10.1039/C9CE01820D","","x-ray","0.71073","MoKα","","0.0287","0.024","","","0.0566","0.0582","","","","","","1.068","","","","has coordinates","257483","2020-10-21","18:00:00",""
"7239888","4.5912","0.0004","10.6146","0.0007","21.6437","0.0017","90","","94.49","0.008","90","","1051.54","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-methylbenzaldehyde (cyanoacetyl)hydrazone","2-cyano-N'-[(1E)-(4-methylphenyl)methylidene]acetohydrazide","","- C11 H11 N3 O -","- C11 H11 N3 O -","- C44 H44 N12 O4 -","4","1","","Zhang, Zhenfeng; Chen, Dejun","Hydrazone-aromatic interaction: the vital role in molecular self-assembly of benzaldehyde hydrazones","CrystEngComm","2020","","","","","10.1039/C9CE01978B","","","0.71073","MoKα","","0.0665","0.054","","","0.1377","0.1463","","","","","","1.083","","","","has coordinates","247930","2020-10-21","18:00:00",""
"7239889","4.5906","0.0001","10.7866","0.0002","20.7507","0.0004","90","","94.248","0.002","90","","1024.69","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-chlorobenzaldehyde (cyanoacetyl)hydrazone","2-cyano-N'-[(1E)-(4-chlorophenyl)methylidene]acetohydrazide","","- C10 H8 Cl N3 O -","- C10 H8 Cl N3 O -","- C40 H32 Cl4 N12 O4 -","4","1","","Zhang, Zhenfeng; Chen, Dejun","Hydrazone-aromatic interaction: the vital role in molecular self-assembly of benzaldehyde hydrazones","CrystEngComm","2020","","","","","10.1039/C9CE01978B","","","1.54178","CuKα","","0.0388","0.0368","","","0.1087","0.1109","","","","","","1.006","","","","has coordinates","247930","2020-10-21","18:00:00",""
"7239890","4.6341","0.0001","10.7786","0.0003","21.0532","0.0008","90","","93.975","0.003","90","","1049.06","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-bromobenzaldehyde (cyanoacetyl)hydrazone","2-cyano-N'-[(1E)-(4-bromophenyl)methylidene]acetohydrazide","","- C10 H8 Br N3 O -","- C10 H8 Br N3 O -","- C40 H32 Br4 N12 O4 -","4","1","","Zhang, Zhenfeng; Chen, Dejun","Hydrazone-aromatic interaction: the vital role in molecular self-assembly of benzaldehyde hydrazones","CrystEngComm","2020","","","","","10.1039/C9CE01978B","","","0.71073","MoKα","","0.0562","0.0353","","","0.0671","0.0765","","","","","","1.026","","","","has coordinates","247930","2020-10-21","18:00:00",""
"7239891","13.328","0.003","14.307","0.003","29.016","0.006","90.48","0.005","91.743","0.005","94.143","0.005","5516","2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C132.5 H118 Dy2 N12 O6 -","- C132.5 H118 Dy2 N12 O6 -","- C265 H236 Dy4 N24 O12 -","2","1","","Long, Jérôme; Selikhov, Alexander N.; Mamontova, Ekaterina; Lyssenko, Konstantin A.; Guari, Yannick; Larionova, Joulia; Trifonov, Alexander","Synthesis, structure, magnetic and luminescent properties of two dysprosium Single-Molecule Magnets based on phenoxide dye ligands.","CrystEngComm","2020","","","","","10.1039/D0CE00055H","","","0.71073","MoKα","","0.1811","0.0741","","","0.1574","0.2079","","","","","","0.941","","","","has coordinates,has disorder","247931","2020-10-21","18:00:00",""
"7239892","11.3117","0.0006","23.0212","0.0012","17.7515","0.001","90","","107.374","0.0014","90","","4411.8","0.4","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57 H42 Dy N3 O3 -","- C57 H42 Dy N3 O3 -","- C228 H168 Dy4 N12 O12 -","4","1","","Long, Jérôme; Selikhov, Alexander N.; Mamontova, Ekaterina; Lyssenko, Konstantin A.; Guari, Yannick; Larionova, Joulia; Trifonov, Alexander","Synthesis, structure, magnetic and luminescent properties of two dysprosium Single-Molecule Magnets based on phenoxide dye ligands.","CrystEngComm","2020","","","","","10.1039/D0CE00055H","","","0.71073","MoKα","","0.09","0.0464","","","0.087","0.1032","","","","","","0.978","","","","has coordinates","247931","2020-10-21","18:00:00",""
"7239894","7.878","0.005","12.877","0.005","17.325","0.005","90","","90","","90","","1757.5","1.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H9 N2 O5 Zn -","- C13 H9 N2 O5 Zn -","- C52 H36 N8 O20 Zn4 -","4","1","","Moushi, E.; Kourtellaris, Andreas; Andreou, Eleni; Fidelli, Athena M.; Papaefstathiou, Giannis S.; Plakatouras, John C.; Tasiopoulos, Anastasios","New Metal Organic Frameworks Derived from pyridine-3,5-dicarboxylic acid: Structural Diversity Rising from the Addition of Templates in the Reaction Systems","CrystEngComm","2020","","","","","10.1039/C9CE02006C","","","1.5418","CuKα","","0.0516","0.0485","","","0.1366","0.1394","","","","","","1.083","","","","has coordinates,has disorder","247967","2020-10-21","18:00:00",""
"7239895","11.168","0.0008","25.2917","0.0018","21.2081","0.0019","90","","96.363","0.007","90","","5953.5","0.8","100","1","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28.5 H25.5 Cu1.5 N4.5 O9 -","- C28.5 H25.5 Cu1.5 N4.5 O9 -","- C228 H204 Cu12 N36 O72 -","8","1","","Moushi, E.; Kourtellaris, Andreas; Andreou, Eleni; Fidelli, Athena M.; Papaefstathiou, Giannis S.; Plakatouras, John C.; Tasiopoulos, Anastasios","New Metal Organic Frameworks Derived from pyridine-3,5-dicarboxylic acid: Structural Diversity Rising from the Addition of Templates in the Reaction Systems","CrystEngComm","2020","","","","","10.1039/C9CE02006C","","","1.54184","CuKα","","0.0392","0.035","","","0.0935","0.0971","","","","","","1.038","","","","has coordinates,has disorder","247967","2020-10-21","18:00:00",""
"7239896","10.1522","0.0003","33.2337","0.0012","12.3547","0.0004","90","","90","","90","","4168.4","0.2","100","2","100","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C10.5 H4.5 Cd N1.5 O6 -","- C10.5 H4.5 Cd N1.5 O6 -","- C84 H36 Cd8 N12 O48 -","8","1","","Moushi, E.; Kourtellaris, Andreas; Andreou, Eleni; Fidelli, Athena M.; Papaefstathiou, Giannis S.; Plakatouras, John C.; Tasiopoulos, Anastasios","New Metal Organic Frameworks Derived from pyridine-3,5-dicarboxylic acid: Structural Diversity Rising from the Addition of Templates in the Reaction Systems","CrystEngComm","2020","","","","","10.1039/C9CE02006C","","","1.54184","CuKα","","0.0207","0.0198","","","0.0507","0.0512","","","","","","1.015","","","","has coordinates,has disorder","247967","2020-10-21","18:00:00",""
"7239897","9.0778","0.0008","9.6883","0.0008","13.9491","0.0013","76.153","0.008","73.459","0.008","84.233","0.007","1141.16","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H48 N8 O14 Zn2 -","- C44 H48 N8 O14 Zn2 -","- C44 H48 N8 O14 Zn2 -","1","0.5","","Moushi, E.; Kourtellaris, Andreas; Andreou, Eleni; Fidelli, Athena M.; Papaefstathiou, Giannis S.; Plakatouras, John C.; Tasiopoulos, Anastasios","New Metal Organic Frameworks Derived from pyridine-3,5-dicarboxylic acid: Structural Diversity Rising from the Addition of Templates in the Reaction Systems","CrystEngComm","2020","","","","","10.1039/C9CE02006C","","","1.54184","CuKα","","0.0373","0.0305","","","0.0806","0.084","","","","","","0.898","","","","has coordinates","247967","2020-10-21","18:00:00",""
"7239898","12.3457","0.0002","11.3248","0.0002","29.2277","0.0004","90","","98.689","0.001","90","","4039.5","0.11","112.8","0.3","112.8","0.3","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H30 Mn3 N6 O15 -","- C30 H30 Mn3 N6 O15 -","- C120 H120 Mn12 N24 O60 -","4","1","","Moushi, E.; Kourtellaris, Andreas; Andreou, Eleni; Fidelli, Athena M.; Papaefstathiou, Giannis S.; Plakatouras, John C.; Tasiopoulos, Anastasios","New Metal Organic Frameworks Derived from pyridine-3,5-dicarboxylic acid: Structural Diversity Rising from the Addition of Templates in the Reaction Systems","CrystEngComm","2020","","","","","10.1039/C9CE02006C","","x-ray","1.54184","CuKα","","0.0479","0.0393","","","0.0994","0.1073","","","","","","1.028","","","","has coordinates,has disorder","247967","2020-10-21","18:00:00",""
"7239899","11.203","0.005","11.394","0.005","14.313","0.005","90","0.005","90","0.005","90","0.005","1827","1.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 N2 O5 Zn -","- C12 H12 N2 O5 Zn -","- C48 H48 N8 O20 Zn4 -","4","1","","Moushi, E.; Kourtellaris, Andreas; Andreou, Eleni; Fidelli, Athena M.; Papaefstathiou, Giannis S.; Plakatouras, John C.; Tasiopoulos, Anastasios","New Metal Organic Frameworks Derived from pyridine-3,5-dicarboxylic acid: Structural Diversity Rising from the Addition of Templates in the Reaction Systems","CrystEngComm","2020","","","","","10.1039/C9CE02006C","","","0.71073","MoKα","","0.035","0.0315","","","0.074","0.0756","","","","","","1.052","","","","has coordinates","247967","2020-10-21","18:00:00",""
"7239900","11.0431","0.0006","9.7384","0.0005","12.139","0.0005","90","","90.252","0.004","90","","1305.44","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 N2 O6 Zn -","- C10 H11 N2 O6 Zn -","- C40 H44 N8 O24 Zn4 -","4","1","","Moushi, E.; Kourtellaris, Andreas; Andreou, Eleni; Fidelli, Athena M.; Papaefstathiou, Giannis S.; Plakatouras, John C.; Tasiopoulos, Anastasios","New Metal Organic Frameworks Derived from pyridine-3,5-dicarboxylic acid: Structural Diversity Rising from the Addition of Templates in the Reaction Systems","CrystEngComm","2020","","","","","10.1039/C9CE02006C","","","0.71073","MoKα","","0.0509","0.0439","","","0.1191","0.1232","","","","","","1.078","","","","has coordinates","247967","2020-10-21","18:00:00",""
"7239901","11.5931","0.0006","13.5663","0.0005","27.2835","0.0013","90","","89.922","0.005","90","","4291","0.3","101","2","101","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30.97 H24.94 Mn3 N5.66 O14 -","- C30.92 H25.48 Mn3 N5.64 O14 -","- C123.68 H101.92 Mn12 N22.56 O56 -","4","1","","Moushi, E.; Kourtellaris, Andreas; Andreou, Eleni; Fidelli, Athena M.; Papaefstathiou, Giannis S.; Plakatouras, John C.; Tasiopoulos, Anastasios","New Metal Organic Frameworks Derived from pyridine-3,5-dicarboxylic acid: Structural Diversity Rising from the Addition of Templates in the Reaction Systems","CrystEngComm","2020","","","","","10.1039/C9CE02006C","","x-ray","1.54184","CuKα","","0.1233","0.0897","","","0.2513","0.3064","","","","","","1.122","","","","has coordinates","247967","2020-10-21","18:00:00",""
"7239902","7.7534","0.0003","15.3166","0.0004","8.7169","0.0004","90","","112.728","0.005","90","","954.8","0.07","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H17 Co N3 O6 -","- C19 H17 Co N3 O6 -","- C38 H34 Co2 N6 O12 -","2","1","","Moushi, E.; Kourtellaris, Andreas; Andreou, Eleni; Fidelli, Athena M.; Papaefstathiou, Giannis S.; Plakatouras, John C.; Tasiopoulos, Anastasios","New Metal Organic Frameworks Derived from pyridine-3,5-dicarboxylic acid: Structural Diversity Rising from the Addition of Templates in the Reaction Systems","CrystEngComm","2020","","","","","10.1039/C9CE02006C","","","1.54184","CuKα","","0.0397","0.0374","","","0.0903","0.0916","","","","","","1.034","","","","has coordinates","247967","2020-10-21","18:00:00",""
"7239903","6.6568","0.0017","11.35","0.003","16.471","0.003","90","","90","","90","","1244.5","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H10 N4 O -","- C15 H10 N4 O -","- C60 H40 N16 O4 -","4","1","","Su, Hao; Hao, Liang; Hussain, Wajid; Li, Zhongkui; Li, Hui","Two donor-acceptor (D-A) type Zn(II) complexes as fluorescent probes for highly selective detection of iodide","CrystEngComm","2020","","","","","10.1039/C9CE01953G","","","0.71073","MoKα","","0.1699","0.075","","","0.1514","0.178","","","","","","1.091","","","","has coordinates","247968","2020-10-21","18:00:00",""
"7239904","10.2417","0.0004","12.1827","0.0005","14.1173","0.0006","77.388","0.001","88.119","0.001","77.243","0.001","1676.29","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H26 N10 O3 Zn2 -","- C35 H26 N10 O3 Zn2 -","- C70 H52 N20 O6 Zn4 -","2","1","","Su, Hao; Hao, Liang; Hussain, Wajid; Li, Zhongkui; Li, Hui","Two donor-acceptor (D-A) type Zn(II) complexes as fluorescent probes for highly selective detection of iodide","CrystEngComm","2020","","","","","10.1039/C9CE01953G","","","0.71073","MoKα","","0.0433","0.0284","","","0.0719","0.0773","","","","","","1.047","","","","has coordinates","247968","2020-10-21","18:00:00",""
"7239905","6.0468","0.0007","31.046","0.003","10.7876","0.0012","90","","100.317","0.004","90","","1992.4","0.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H13 Cl N4 O3 Zn -","- C22 H13 Cl N4 O3 Zn -","- C88 H52 Cl4 N16 O12 Zn4 -","4","1","","Su, Hao; Hao, Liang; Hussain, Wajid; Li, Zhongkui; Li, Hui","Two donor-acceptor (D-A) type Zn(II) complexes as fluorescent probes for highly selective detection of iodide","CrystEngComm","2020","","","","","10.1039/C9CE01953G","","","0.71073","MoKα","","0.1096","0.0544","","","0.1026","0.1217","","","","","","1.029","","","","has coordinates","247968","2020-10-21","18:00:00",""
"7239906","20.00896","0.00019","53.1688","0.0005","14.50409","0.00014","90","","88.4818","0.0008","90","","15424.8","0.3","98","2","98","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","MMFBr","","- C92.11 H98.73 Br12 N13.5 O3.46 Pd6 -","- C92.115 H98.73 Br12 N13.5 O3.454 Pd6 -","- C368.46 H394.92 Br48 N54 O13.816 Pd24 -","4","1","","Tashiro, Shohei; Mitsui, Shinya; Burke, David W.; Kubota, Ryoh; Matsushita, Nobuyuki; Shionoya, Mitsuhiko","Core-shell metal-macrocycle framework (MMF): spatially selective dye inclusion through core-to-shell anisotropic transport along crystalline 1D-channels connected by epitaxial growth","CrystEngComm","2020","","","","","10.1039/D0CE00120A","","","1.54184","CuKα","","0.1125","0.0834","","","0.2378","0.2582","","","","","","1.051","","","","has coordinates,has disorder","247969","2020-10-21","18:00:00",""
"7239907","20.23","0.0009","53.5168","0.0016","14.3304","0.0003","90","","90.516","0.003","90","","15514.1","0.9","93","2","93.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","MMFcore","","- C84 H84 Br3.69 Cl8.31 N12 O2 Pd6 -","- C84 H84 Br3.709 Cl8.291 N12 O2 Pd6 -","- C336 H336 Br14.836 Cl33.164 N48 O8 Pd24 -","4","1","","Tashiro, Shohei; Mitsui, Shinya; Burke, David W.; Kubota, Ryoh; Matsushita, Nobuyuki; Shionoya, Mitsuhiko","Core-shell metal-macrocycle framework (MMF): spatially selective dye inclusion through core-to-shell anisotropic transport along crystalline 1D-channels connected by epitaxial growth","CrystEngComm","2020","","","","","10.1039/D0CE00120A","","","0.71073","MoKα","","0.2528","0.1699","","","0.4275","0.4706","","","","","","1.088","","","","has coordinates,has disorder","247969","2020-10-21","18:00:00",""
"7239908","20.0078","0.0003","53.0768","0.0009","14.5575","0.00018","90","","91.384","0.001","90","","15454.8","0.4","93","2","93.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","MMFshell","","- C90 H93 Br10.86 Cl1.14 N15 O Pd6 -","- C90 H93 Br10.872 Cl1.128 N15 O Pd6 -","- C360 H372 Br43.488 Cl4.512 N60 O4 Pd24 -","4","1","","Tashiro, Shohei; Mitsui, Shinya; Burke, David W.; Kubota, Ryoh; Matsushita, Nobuyuki; Shionoya, Mitsuhiko","Core-shell metal-macrocycle framework (MMF): spatially selective dye inclusion through core-to-shell anisotropic transport along crystalline 1D-channels connected by epitaxial growth","CrystEngComm","2020","","","","","10.1039/D0CE00120A","","","0.71073","MoKα","","0.1524","0.109","","","0.2816","0.3017","","","","","","1.102","","","","has coordinates,has disorder","247969","2020-10-21","18:00:00",""
"7239917","10.7183","0.0012","13.8384","0.0016","14.7191","0.0017","95.994","0.002","98.595","0.002","99.932","0.002","2107.2","0.4","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C50 H28 N6 -","- C50 H28 N6 -","- C100 H56 N12 -","2","1","","Wang, Kai; Xiao, Hui; Qian, Li; Han, Mingxi; Wu, Xianfeng; Guo, Zhiyong; Zhan, Hongbing","Diversified AIE and mechanochromic luminescence based on carbazole derivatives decorated dicyanovinyl groups: Effects of Substitution Site and Molecular Packing","CrystEngComm","2020","","","","","10.1039/C9CE01958H","","","0.71073","MoKα","","0.1473","0.0884","","","0.2545","0.2818","","","","","","0.993","","","","has coordinates","248064","2020-10-21","18:00:00",""
"7239918","9.681","0.003","10.53","0.003","12.299","0.003","65.887","0.005","70.323","0.005","85.583","0.006","1074.9","0.5","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H16 Cl2 N3 -","- C26 H16 Cl2 N3 -","- C52 H32 Cl4 N6 -","2","1","","Wang, Kai; Xiao, Hui; Qian, Li; Han, Mingxi; Wu, Xianfeng; Guo, Zhiyong; Zhan, Hongbing","Diversified AIE and mechanochromic luminescence based on carbazole derivatives decorated dicyanovinyl groups: Effects of Substitution Site and Molecular Packing","CrystEngComm","2020","","","","","10.1039/C9CE01958H","","","0.71073","MoKα","","0.0967","0.0691","","","0.1843","0.2165","","","","","","1.048","","","","has coordinates","248064","2020-10-21","18:00:00",""
"7239919","3.934","0.0008","14.576","0.003","16.601","0.003","71.17","0.03","87.33","0.03","82.84","0.03","893.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H20 F4 I2 N4 O4 -","- C40 H20 F4 I2 N4 O4 -","- C40 H20 F4 I2 N4 O4 -","1","0.5","","Setter, Caitlin J.; Whittaker, Jacob J.; Brock, Aidan J.; Arachchige, Kasun; McMurtrie, John; Clegg, Jack Kay; Pfrunder, Michael Craig","Straightening Out Halogen Bonds","CrystEngComm","2020","","","","","10.1039/D0CE00176G","","","0.7108","synchrotron","","0.0301","0.0297","","","0.084","0.0844","","","","","","1.044","","","","has coordinates","248065","2020-10-21","18:00:00",""
"7239920","3.85","0.0008","14.124","0.003","26.384","0.005","93.98","0.03","91.69","0.03","92.08","0.03","1429.6","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H22 N4 O4.25 -","- C35 H22 N4 O4.25 -","- C70 H44 N8 O8.5 -","2","1","","Setter, Caitlin J.; Whittaker, Jacob J.; Brock, Aidan J.; Arachchige, Kasun; McMurtrie, John; Clegg, Jack Kay; Pfrunder, Michael Craig","Straightening Out Halogen Bonds","CrystEngComm","2020","","","","","10.1039/D0CE00176G","","","0.7108","Synchrotron","","0.1383","0.1192","","","0.354","0.3645","","","","","","1.151","","","","has coordinates,has disorder","248065","2020-10-21","18:00:00",""
"7239921","7.136","0.0014","12.568","0.003","14.975","0.003","90","","94.29","0.03","90","","1339.3","0.5","100","2","100.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H10 N2 O2 -","- C17 H10 N2 O2 -","- C68 H40 N8 O8 -","4","0.5","","Setter, Caitlin J.; Whittaker, Jacob J.; Brock, Aidan J.; Arachchige, Kasun; McMurtrie, John; Clegg, Jack Kay; Pfrunder, Michael Craig","Straightening Out Halogen Bonds","CrystEngComm","2020","","","","","10.1039/D0CE00176G","","","0.7108","synchrotron","","0.1153","0.1062","","","0.3106","0.3161","","","","","","1.282","","","","has coordinates,has disorder","248065","2020-10-21","18:00:00",""
"7239937","9.9087","0.0002","12.9484","0.0003","22.1427","0.0007","90","","100.956","0.003","90","","2789.17","0.13","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C40 H26 N2 -","- C40 H26 N2 -","- C160 H104 N8 -","4","1","","Chen, Guowei; Chen, Wen-Cheng; Ji, Shaomin; Zhou, Peiqi; CAI, Ning; zhan, yingying; Liang, Hui; Tan, Jihua; Pan, Chengqiang; Huo, Yanping","Polymorphic mechanoresponsive luminescent material based on fluorene-phenanthroimidazole hybrid by modulation of intramolecular conformation and intermolecular interaction","CrystEngComm","2020","","","","","10.1039/D0CE00006J","","","1.54178","CuKα","","0.0595","0.0535","","","0.1396","0.1484","","","","","","1.037","","","","has coordinates","248195","2020-10-21","18:00:00",""
"7239938","56.364","0.003","15.9827","0.0009","6.1539","0.0003","90","","90","","90","","5543.7","0.5","293.52","0.16","293.52","0.16","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C40 H26 N2 -","- C40 H26 N2 -","- C320 H208 N16 -","8","2","","Chen, Guowei; Chen, Wen-Cheng; Ji, Shaomin; Zhou, Peiqi; CAI, Ning; zhan, yingying; Liang, Hui; Tan, Jihua; Pan, Chengqiang; Huo, Yanping","Polymorphic mechanoresponsive luminescent material based on fluorene-phenanthroimidazole hybrid by modulation of intramolecular conformation and intermolecular interaction","CrystEngComm","2020","","","","","10.1039/D0CE00006J","","x-ray","1.54184","CuKα","","0.1264","0.0887","","","0.2357","0.2664","","","","","","1.059","","","","has coordinates","248195","2020-10-21","18:00:00",""
"7239939","11.8562","0.0008","13.4286","0.0009","13.4659","0.0005","77.628","0.004","86.612","0.004","68.539","0.006","1948.5","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C53 H35 Cl2 N2 -","- C53 H35 Cl2 N2 -","- C106 H70 Cl4 N4 -","2","1","","Chen, Guowei; Chen, Wen-Cheng; Ji, Shaomin; Zhou, Peiqi; CAI, Ning; zhan, yingying; Liang, Hui; Tan, Jihua; Pan, Chengqiang; Huo, Yanping","Polymorphic mechanoresponsive luminescent material based on fluorene-phenanthroimidazole hybrid by modulation of intramolecular conformation and intermolecular interaction","CrystEngComm","2020","","","","","10.1039/D0CE00006J","","","1.54184","CuKα","","0.1832","0.1254","","","0.2505","0.2946","","","","","","1.076","","","","has coordinates","248195","2020-10-21","18:00:00",""
"7239957","9.1237","0.0005","13.4076","0.0007","14.8525","0.0008","83.392","0.004","87.801","0.005","74.413","0.005","1738.36","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H22 I4 N6 Ni Pb -","- C30 H22 I4 N6 Ni Pb -","- C60 H44 I8 N12 Ni2 Pb2 -","2","1","","Zhang, Yongli; Zang, Meixiu; Yin, Hang; Liu, Peng; Xian, Yeming; Li, Wenzhe","Dimensionally and Structurally Controllable Perovskite Single Crystals: Nickle(II)-Terpyridine-Complex (Ni-Tpy2) Based Perovskites","CrystEngComm","2020","","","","","10.1039/C9CE02004G","","x-ray","0.71073","MoKα","","0.0938","0.0572","","","0.1036","0.1238","","","","","","1.019","","","","has coordinates","248271","2020-10-21","18:00:00",""
"7239958","29.1712","0.0002","29.1712","0.0002","29.1712","0.0002","90","","90","","90","","24823.5","0.3","100","0.1","100","0.1","","","","","","","","6","I -4 3 d","I -4bd 2c 3","220","","","","- C30 H22 I6 N6 Ni Pb2 -","- C30 H22 I6 N6 Ni Pb2 -","- C720 H528 I144 N144 Ni24 Pb48 -","24","0.5","","Zhang, Yongli; Zang, Meixiu; Yin, Hang; Liu, Peng; Xian, Yeming; Li, Wenzhe","Dimensionally and Structurally Controllable Perovskite Single Crystals: Nickle(II)-Terpyridine-Complex (Ni-Tpy2) Based Perovskites","CrystEngComm","2020","","","","","10.1039/C9CE02004G","","x-ray","0.71073","MoKα","","0.0204","0.0176","","","0.0279","0.0283","","","","","","1.029","","","","has coordinates","248271","2020-10-21","18:00:00",""
"7239959","10.1531","0.0003","19.0353","0.0006","30.5736","0.0011","90","","90.798","0.003","90","","5908.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 I6 N6 Pb3 -","- C30 H22 I6 N6 Pb3 -","- C180 H132 I36 N36 Pb18 -","6","1.5","","Zhang, Yongli; Zang, Meixiu; Yin, Hang; Liu, Peng; Xian, Yeming; Li, Wenzhe","Dimensionally and Structurally Controllable Perovskite Single Crystals: Nickle(II)-Terpyridine-Complex (Ni-Tpy2) Based Perovskites","CrystEngComm","2020","","","","","10.1039/C9CE02004G","","x-ray","0.71073","MoKα","","0.0552","0.0338","","","0.0577","0.0638","","","","","","1.031","","","","has coordinates","248271","2020-10-21","18:00:00",""
"7239960","22.3909","0.0006","8.5089","0.0002","39.5465","0.0009","90","","90","","90","","7534.5","0.3","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C60 H44 I10 N12 Ni2 Pb3 -","- C60 H44 I10 N12 Ni2 Pb3 -","- C240 H176 I40 N48 Ni8 Pb12 -","4","1","","Zhang, Yongli; Zang, Meixiu; Yin, Hang; Liu, Peng; Xian, Yeming; Li, Wenzhe","Dimensionally and Structurally Controllable Perovskite Single Crystals: Nickle(II)-Terpyridine-Complex (Ni-Tpy2) Based Perovskites","CrystEngComm","2020","","","","","10.1039/C9CE02004G","","x-ray","0.71073","MoKα","","0.0749","0.0474","","","0.1038","0.114","","","","","","1.046","","","","has coordinates","248271","2020-10-21","18:00:00",""
"7239963","27.838","0.0016","27.838","0.0016","28.8132","0.0008","90","","90","","120","","19337.4","1.7","100","2","100","2","","","","","","","","8","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C36 H69 Br3 N12 O54 Rh4 S12 Zn4 -","- C36 H69 Br3 N12 O54 Rh4 S12 Zn4 -","- C216 H414 Br18 N72 O324 Rh24 S72 Zn24 -","6","0.5","","Yamashita, Ukyo; Yoshinari, Nobuto; Sodkhomkhum, Rapheepraew; Meundaeng, Natthaya; Konno, Takumi","Hydrogen-bonded metallosupramolecular helices composed of a nona-protonated spherical RhIII4ZnII4 cluster with twelve carboxylate arms","CrystEngComm","2020","","","","","10.1039/D0CE00133C","","","0.4248","synchrotron","","0.0669","0.0428","","","0.0952","0.1012","","","","","","0.854","","","","has coordinates,has disorder","248303","2020-10-21","18:00:00",""
"7239964","19.365","0.003","19.365","0.003","52.561","0.004","90","","90","","90","","19711","5","100","2","100","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C36 H72 N12 O56.5 Rh4 S15 Zn4 -","- C36 H72 N12 O56.5 Rh4 S15 Zn4 -","- C288 H576 N96 O452 Rh32 S120 Zn32 -","8","1","","Yamashita, Ukyo; Yoshinari, Nobuto; Sodkhomkhum, Rapheepraew; Meundaeng, Natthaya; Konno, Takumi","Hydrogen-bonded metallosupramolecular helices composed of a nona-protonated spherical RhIII4ZnII4 cluster with twelve carboxylate arms","CrystEngComm","2020","","","","","10.1039/D0CE00133C","","","0.4248","synchrotron","","0.0396","0.0386","","","0.1091","0.1099","","","","","","1.075","","","","has coordinates,has disorder","248303","2020-10-21","18:00:00",""
"7239965","19.5781","0.0011","9.864","0.0006","5.5937","0.0003","90","","90","","90","","1080.25","0.11","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","rac-mephenoxalone","rac-5-(2-methoxyphenoxymethyl)-2-oxazolidinones","","- C11 H13 N O4 -","- C11 H13 N O4 -","- C44 H52 N4 O16 -","4","1","","Bredikhin, Alexander A.; Bredikhina, Zemfira A.; Gubaidullin, Aidar Timergalievich","Chirality-Dependent Supramolecular Synthons based on the 1,3-Oxazolidin-2-one Framework: Chiral Drugs Mephenoxalone, Metaxalone and other 114 examples","CrystEngComm","2020","","","","","10.1039/D0CE00116C","","","1.54178","CuKα","","0.0243","0.0238","","","0.0643","0.0648","","","","","","1.044","","","","has coordinates","248304","2020-10-21","18:00:00",""
"7239966","9.7048","0.0007","5.5085","0.0004","10.4326","0.0007","90","","108.56","0.004","90","","528.71","0.07","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","(R)-mephenoxalone","(R)-5-(2-methoxyphenoxymethyl)-2-oxazolidinones","","- C11 H13 N O4 -","- C11 H13 N O4 -","- C22 H26 N2 O8 -","2","1","","Bredikhin, Alexander A.; Bredikhina, Zemfira A.; Gubaidullin, Aidar Timergalievich","Chirality-Dependent Supramolecular Synthons based on the 1,3-Oxazolidin-2-one Framework: Chiral Drugs Mephenoxalone, Metaxalone and other 114 examples","CrystEngComm","2020","","","","","10.1039/D0CE00116C","","","0.71073","MoKα","","0.065","0.041","","","0.0756","0.0811","","","","","","1.018","","","","has coordinates","248304","2020-10-21","18:00:00",""
"7239967","10.5747","0.0008","17.7318","0.0016","23.316","0.002","90","","94.187","0.003","90","","4360.3","0.6","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H50 N5 Na Ni2 O9 S -","- C43 H50 N5 Na Ni2 O9 S -","- C172 H200 N20 Na4 Ni8 O36 S4 -","4","1","","Bhaumik, Prasanta Kumar; Banerjee, Abhisek; Dutta, Tamal; Chatterjee, Sudipta; Frontera, Antonio; Chattopadhyay, Shouvik","Diminishing accessibility of electrophilic nickel(II) centres on incorporating methyl spacer in the pendant side arm of a series of hetero-trinuclear nickel(II)/sodium complexes: DFT study using homodesmotic equation","CrystEngComm","2020","","","","","10.1039/D0CE00251H","","","0.71073","MoKα","","0.131","0.0848","","","0.208","0.2429","","","","","","1.03","","","","has coordinates","248391","2020-10-21","18:00:00",""
"7239968","15.2672","0.0017","17.8828","0.0019","19.158","0.002","90","","106.963","0.003","90","","5003","0.9","273","2","273","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H60 N5 Na Ni2 O9 S -","- C48 H60 N5 Na Ni2 O9 S -","- C192 H240 N20 Na4 Ni8 O36 S4 -","4","1","","Bhaumik, Prasanta Kumar; Banerjee, Abhisek; Dutta, Tamal; Chatterjee, Sudipta; Frontera, Antonio; Chattopadhyay, Shouvik","Diminishing accessibility of electrophilic nickel(II) centres on incorporating methyl spacer in the pendant side arm of a series of hetero-trinuclear nickel(II)/sodium complexes: DFT study using homodesmotic equation","CrystEngComm","2020","","","","","10.1039/D0CE00251H","","","0.71073","MoKα","","0.1388","0.068","","","0.1713","0.2284","","","","","","1.043","","","","has coordinates,has disorder","248391","2020-10-21","18:00:00",""
"7239969","20.524","0.003","10.4135","0.0011","22.375","0.003","90","","117.254","0.003","90","","4251.2","1","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H49 N6 Na Ni2 O7 -","- C42 H48 N7 Na Ni2 O8 -","- C168 H192 N28 Na4 Ni8 O32 -","4","1","","Bhaumik, Prasanta Kumar; Banerjee, Abhisek; Dutta, Tamal; Chatterjee, Sudipta; Frontera, Antonio; Chattopadhyay, Shouvik","Diminishing accessibility of electrophilic nickel(II) centres on incorporating methyl spacer in the pendant side arm of a series of hetero-trinuclear nickel(II)/sodium complexes: DFT study using homodesmotic equation","CrystEngComm","2020","","","","","10.1039/D0CE00251H","","","0.71073","MoKα","","0.1203","0.0696","","","0.182","0.2206","","","","","","0.946","","","","has coordinates","248391","2020-10-21","18:00:00",""
"7239970","37.44","0.03","9.494","0.008","34.86","0.03","90","","114.199","0.019","90","","11302","16","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C46 H56 Cl N4 Na Ni2 O12 -","- C46 H56 Cl N4 Na Ni2 O12 -","- C368 H448 Cl8 N32 Na8 Ni16 O96 -","8","1","","Bhaumik, Prasanta Kumar; Banerjee, Abhisek; Dutta, Tamal; Chatterjee, Sudipta; Frontera, Antonio; Chattopadhyay, Shouvik","Diminishing accessibility of electrophilic nickel(II) centres on incorporating methyl spacer in the pendant side arm of a series of hetero-trinuclear nickel(II)/sodium complexes: DFT study using homodesmotic equation","CrystEngComm","2020","","","","","10.1039/D0CE00251H","","","0.71073","MoKα","","0.1077","0.0745","","","0.2011","0.2254","","","","","","1.086","","","","has coordinates","248391","2020-10-21","18:00:00",""
"7239971","7.7569","0.0006","15.7881","0.0012","10.9425","0.0011","90","","91.562","0.008","90","","1339.6","0.2","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 Co N16 O2 -","- C24 H22 Co N16 O2 -","- C48 H44 Co2 N32 O4 -","2","0.5","","Wu, Yuewei; Xi, Jing; Yang, Jinhui; Song, Weiming; Luo, Shuchang; Wang, Zheng; Liu, Xiangyu","Coligand effects on the architectures and magnetic properties of octahedral cobalt(ii) complexes with easy-axis magnetic anisotropy","CrystEngComm","2020","22","13","2297","2303","10.1039/C9CE01871A","","x-ray","0.71073","MoKα","","0.1142","0.0687","","","0.1284","0.1558","","","","","","1.06","","","","has coordinates","257477","2020-10-21","18:00:00",""
"7239972","13.1218","0.0007","14.2515","0.0007","14.6292","0.0008","90","","102.327","0.005","90","","2672.7","0.2","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 Co N18 O -","- C24 H22 Co N18 O -","- C96 H88 Co4 N72 O4 -","4","1","","Wu, Yuewei; Xi, Jing; Yang, Jinhui; Song, Weiming; Luo, Shuchang; Wang, Zheng; Liu, Xiangyu","Coligand effects on the architectures and magnetic properties of octahedral cobalt(ii) complexes with easy-axis magnetic anisotropy","CrystEngComm","2020","22","13","2297","2303","10.1039/C9CE01871A","","x-ray","0.71073","MoKα","","0.0927","0.0595","","","0.1223","0.1386","","","","","","1.06","","","","has coordinates","257477","2020-10-21","18:00:00",""
"7239979","12.7067","0.0006","13.0794","0.0004","21.0583","0.0008","88.535","0.003","73.381","0.004","61.238","0.004","2913.6","0.2","100","0.2","100","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C108 H112 N6 O44 S12 Zn3 -","- C108 H112 N6 O44 S12 Zn3 -","- C108 H112 N6 O44 S12 Zn3 -","1","0.5","","Ke, Hua; Chen, Qi-Hua; Liao, Jian-Zhen; Lu, Can-Zhong","Multiple hydrogen bonded three-dimensional supramolecular architecture composed of unique three-fold interlocked anionic Zn(II)-coordination architecture","CrystEngComm","2020","","","","","10.1039/D0CE00177E","","x-ray","1.54184","CuKα","","0.0698","0.0591","","","0.1606","0.1706","","","","","","1.107","","","","has coordinates,has disorder","248476","2020-10-21","18:00:00",""
"7239980","17.051","0.015","5.459","0.004","18.215","0.016","90","","101.114","0.009","90","","1664","2","293.15","","293.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H28 Co N2 O14 S2 -","- C32 H28 Co N2 O14 S2 -","- C64 H56 Co2 N4 O28 S4 -","2","0.5","","Ke, Hua; Chen, Qi-Hua; Liao, Jian-Zhen; Lu, Can-Zhong","Multiple hydrogen bonded three-dimensional supramolecular architecture composed of unique three-fold interlocked anionic Zn(II)-coordination architecture","CrystEngComm","2020","","","","","10.1039/D0CE00177E","","","0.71073","MoKα","","0.072","0.051","","","0.1159","0.1262","","","","","","1.063","","","","has coordinates","248476","2020-10-21","18:00:00",""
"7239981","13.1613","0.0002","8.5565","0.00014","27.639","0.0005","90","","94.8776","0.0014","90","","3101.28","0.09","100.01","0.11","100.01","0.11","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 N4 O12 Zn -","- C34 H26 N4 O12 Zn -","- C136 H104 N16 O48 Zn4 -","4","1","","Ke, Hua; Chen, Qi-Hua; Liao, Jian-Zhen; Lu, Can-Zhong","Multiple hydrogen bonded three-dimensional supramolecular architecture composed of unique three-fold interlocked anionic Zn(II)-coordination architecture","CrystEngComm","2020","","","","","10.1039/D0CE00177E","","x-ray","1.54184","CuKα","","0.0378","0.0316","","","0.0869","0.0901","","","","","","1.032","","","","has coordinates","248476","2020-10-21","18:00:00",""
"7239982","13.5349","0.0008","8.6599","0.0006","26.4575","0.0017","90","","95.607","0.006","90","","3086.3","0.3","100.01","0.13","100.01","0.13","","","","","","","","6","I 1 2/c 1","-I 2yc","15","","","","- C32 H24 Cd N2 O12 S2 -","- C32 H24 Cd N2 O12 S2 -","- C128 H96 Cd4 N8 O48 S8 -","4","0.5","","Ke, Hua; Chen, Qi-Hua; Liao, Jian-Zhen; Lu, Can-Zhong","Multiple hydrogen bonded three-dimensional supramolecular architecture composed of unique three-fold interlocked anionic Zn(II)-coordination architecture","CrystEngComm","2020","","","","","10.1039/D0CE00177E","","x-ray","1.54184","CuKα","","0.0342","0.0327","","","0.0876","0.0888","","","","","","1.075","","","","has coordinates","248476","2020-10-21","18:00:00",""
"7239987","12.4692","0.001","3.76053","0.00017","9.62324","0.00071","90","","89.87","0.015","90","","451.24","0.05","523","","523","","","","","","","","","5","P 1 2/m 1","-P 2y","10","catena-dibromo-(4-cyanopyridine)cobalt","catena-dibromo-(4-cyanopyridine)cobalt","","- C6 H4 Br2 Co N2 -","- C6 H4 Br2 Co N2 -","- C12 H8 Br4 Co2 N4 -","2","0.5","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","4-Cyanopyridine complexes [MX2(4-CNpy)x]n (with X = Cl, Br and x = 1, 2): crystal structures, thermal properties and a comparison with [MX2(3-CNpy)x]n complexes","CrystEngComm","2020","","","","","10.1039/C9CE02012H","powder diffraction","","0.7093","MoKα~1~","","","","","","","","","1.24881","1.413","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7239988","9.2673","0.0004","22.6873","0.0009","13.9052","0.0006","90","","97.311","0.001","90","","2899.8","0.2","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H19 Co N3 O4 -","- C29 H19 Co N3 O4 -","- C116 H76 Co4 N12 O16 -","4","1","","Qin, Ling; Hu, Qing; Zheng, Qi-Ming; Dou, Yue; Yang, Hu; Zheng, Hegen","Syntheses, crystal structures, dye degradation and luminescence sensing properties of four coordination polymers","CrystEngComm","2020","","","","","10.1039/D0CE00175A","","","0.71073","MoKα","","0.0541","0.0395","","","0.0964","0.1024","","","","","","1.032","","","","has coordinates","248520","2020-10-21","18:00:00",""
"7239989","7.1483","0.0005","9.8254","0.0006","13.6568","0.0007","78.512","0.005","83.808","0.005","72.957","0.006","897.44","0.1","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H16 Cd N3 O6 -","- C19 H16 Cd N3 O6 -","- C38 H32 Cd2 N6 O12 -","2","1","","Qin, Ling; Hu, Qing; Zheng, Qi-Ming; Dou, Yue; Yang, Hu; Zheng, Hegen","Syntheses, crystal structures, dye degradation and luminescence sensing properties of four coordination polymers","CrystEngComm","2020","","","","","10.1039/D0CE00175A","","","0.71073","MoKα","","0.0399","0.0316","","","0.0593","0.0644","","","","","","1.047","","","","has coordinates,has disorder","248520","2020-10-21","18:00:00",""
"7239990","9.402","0.0007","10.0486","0.0007","11.9827","0.0007","91.907","0.005","101.849","0.006","108.606","0.006","1044.09","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H35 Co N9 O6 -","- C49 H35 Co N9 O6 -","- C49 H35 Co N9 O6 -","1","0.5","","Qin, Ling; Hu, Qing; Zheng, Qi-Ming; Dou, Yue; Yang, Hu; Zheng, Hegen","Syntheses, crystal structures, dye degradation and luminescence sensing properties of four coordination polymers","CrystEngComm","2020","","","","","10.1039/D0CE00175A","","","0.71073","MoKα","","0.0773","0.051","","","0.0988","0.1151","","","","","","1.04","","","","has coordinates,has disorder","248520","2020-10-21","18:00:00",""
"7239991","14.6692","0.0009","15.6563","0.0008","24.8935","0.0011","90","","90.67","0.004","90","","5716.8","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H48 Co2 N10 O13 -","- C62 H48 Co2 N10 O13 -","- C248 H192 Co8 N40 O52 -","4","0.5","","Qin, Ling; Hu, Qing; Zheng, Qi-Ming; Dou, Yue; Yang, Hu; Zheng, Hegen","Syntheses, crystal structures, dye degradation and luminescence sensing properties of four coordination polymers","CrystEngComm","2020","","","","","10.1039/D0CE00175A","","","0.71073","MoKα","","0.0768","0.0526","","","0.1494","0.1754","","","","","","0.901","","","","has coordinates","248520","2020-10-21","18:00:00",""
"7239992","9.6026","0.0005","9.6026","0.0005","23.3261","0.0012","90","","90","","120","","1862.73","0.17","100","","100","","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- C6 H14 Br3 N3 -","- C6 H14 Br3 N3 -","- C36 H84 Br18 N18 -","6","1","","Morita, Hagino; Tsunashima, Ryo; Nishihara, Sadafumi; Akutagawa, Tomoyuki","Doping of Metal-free Molecular Perovskite with Hexamethylenetetramine to Create Non-centrosymmetric Defects","CrystEngComm","2020","","","","","10.1039/D0CE00173B","","","0.71073","MoKα","","0.0617","0.0489","","","0.1164","0.1266","","","","","","1.161","","","","has coordinates,has disorder","248521","2020-10-21","18:00:00",""
"7239996","39.5261","0.0003","39.5261","0.0003","16.5278","0.0001","90","","90","","120","","22362.2","0.3","200","2","200","2","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C44 H22 O16.3 U0.27 Zr3 -","- C44 H22 O16.3 U0.268 Zr3 -","- C264 H132 O97.8 U1.608 Zr18 -","6","0.25","","Knapp, Julia G.; Zhang, Xuan; Elkin, Tatyana; Wolfsberg, Laura E.; Hanna, Sylvia L.; Son, Florencia A.; Scott, Brian L.; Farha, Omar K.","Single crystal structure and photocatalytic behavior of grafted uranyl on the Zr-node of a pyrene-based metal‒organic framework","CrystEngComm","2020","","","","","10.1039/C9CE02034A","","x-ray","1.54184","CuKα","","0.0591","0.0542","","","0.1863","0.1916","","","","","","1.098","","","","has coordinates,has disorder","248552","2020-10-21","18:00:00",""
"7240004","4.8425","0.0007","24.45","0.004","5.7818","0.0009","90","","99.096","0.005","90","","675.95","0.18","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H4 F N O2 -","- C8 H4 F N O2 -","- C32 H16 F4 N4 O8 -","4","1","","Mondal, Pradip Kumar; Bhandary, Subhrajyoti; Javoor, Manjunath G.; Cleetus, Annie; Mangalampalli, S. R. N. Kiran; Ramamurty, Upadrasta; Chopra, Deepak","Probing the distinct nanomechanical behaviour of a new co-crystal and a known solvate of 5-fluoroisatin and identification of a new polymorph","CrystEngComm","2020","22","15","2566","2572","10.1039/C9CE01659G","","","0.71073","MoKα","","0.1125","0.0675","","","0.121","0.1328","","","","","","1.125","","","","has coordinates,has disorder","257482","2020-10-21","18:00:00",""
"7240005","8.2627","0.0006","8.335","0.0006","8.7473","0.0006","91.177","0.002","117.067","0.002","97.41","0.003","529.82","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H10 F N O3 S -","- C10 H10 F N O3 S -","- C20 H20 F2 N2 O6 S2 -","2","1","","Mondal, Pradip Kumar; Bhandary, Subhrajyoti; Javoor, Manjunath G.; Cleetus, Annie; Mangalampalli, S. R. N. Kiran; Ramamurty, Upadrasta; Chopra, Deepak","Probing the distinct nanomechanical behaviour of a new co-crystal and a known solvate of 5-fluoroisatin and identification of a new polymorph","CrystEngComm","2020","22","15","2566","2572","10.1039/C9CE01659G","","","0.71073","MoKα","","0.0386","0.0342","","","0.085","0.0874","","","","","","1.084","","","","has coordinates","257482","2020-10-21","18:00:00",""
"7240006","12.8358","0.0007","6.172","0.0003","15.5627","0.0008","90","","96.692","0.002","90","","1224.52","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H9 F N2 O4 -","- C14 H9 F N2 O4 -","- C56 H36 F4 N8 O16 -","4","1","","Mondal, Pradip Kumar; Bhandary, Subhrajyoti; Javoor, Manjunath G.; Cleetus, Annie; Mangalampalli, S. R. N. Kiran; Ramamurty, Upadrasta; Chopra, Deepak","Probing the distinct nanomechanical behaviour of a new co-crystal and a known solvate of 5-fluoroisatin and identification of a new polymorph","CrystEngComm","2020","22","15","2566","2572","10.1039/C9CE01659G","","","0.71073","MoKα","","0.0674","0.047","","","0.1074","0.1166","","","","","","1.065","","","","has coordinates","257482","2020-10-21","18:00:00",""
"7240007","3.7104","0.0004","12.1407","0.0015","14.766","0.0015","90","","93.397","0.004","90","","663.99","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H4 F N O2 -","- C8 H4 F N O2 -","- C32 H16 F4 N4 O8 -","4","1","","Mondal, Pradip Kumar; Bhandary, Subhrajyoti; Javoor, Manjunath G.; Cleetus, Annie; Mangalampalli, S. R. N. Kiran; Ramamurty, Upadrasta; Chopra, Deepak","Probing the distinct nanomechanical behaviour of a new co-crystal and a known solvate of 5-fluoroisatin and identification of a new polymorph","CrystEngComm","2020","22","15","2566","2572","10.1039/C9CE01659G","","","0.71073","MoKα","","0.106","0.0599","","","0.1089","0.1236","","","","","","1.058","","","","has coordinates","257482","2020-10-21","18:00:00",""
"7240008","17.1497","0.0014","7.3395","0.0006","15.4954","0.0012","90","","109.941","0.002","90","","1833.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 Cl2 N6 O2 -","- C17 H16 Cl2 N6 O2 -","- C68 H64 Cl8 N24 O8 -","4","1","","Kuang, Wenjie; Ji, Shaochang; Wei , Yufeng; Zhang, Jinyan; Lan, Ping","A New 1:1 Cocrystal of Lamotrigine and 1,2,3,6-4hydrophthalimide:Discovery,Characterization, and Construction of Ternary Phase Diagrams","CrystEngComm","2020","","","","","10.1039/D0CE00178C","","","0.71073","MoKα","","0.0833","0.0493","","","0.1202","0.1373","","","","","","1.037","","","","has coordinates","248635","2020-10-21","18:00:00",""
"7240009","9.3043","0.0002","15.9441","0.0003","17.4454","0.0004","90","","94.552","0.002","90","","2579.84","0.09","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 Cd Cl2 N4 O4 -","- C26 H20 Cd Cl2 N4 O4 -","- C104 H80 Cd4 Cl8 N16 O16 -","4","1","","Yong-Sheng, Shi; Liu, Dong; Fu, Lianshe; Li, Yuehua; Dong, Gui-Ying","Five water-stable luminescent CdII-based metal-organic frameworks as sensors for highly sensitive and selective detection of acetylacetone, Fe3+ and Cr2O72- ions","CrystEngComm","2020","","","","","10.1039/D0CE00140F","","","0.71073","MoKα","","0.0457","0.03","","","0.069","0.0761","","","","","","1.023","","","","has coordinates","248636","2020-10-21","18:00:00",""
"7240010","13.1061","0.0005","16.0142","0.0005","17.5495","0.0007","90","","97.736","0.004","90","","3649.8","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H17 Cd0.5 Cl N3 O2 -","- C20 H17 Cd0.5 Cl N3 O2 -","- C160 H136 Cd4 Cl8 N24 O16 -","8","1","","Yong-Sheng, Shi; Liu, Dong; Fu, Lianshe; Li, Yuehua; Dong, Gui-Ying","Five water-stable luminescent CdII-based metal-organic frameworks as sensors for highly sensitive and selective detection of acetylacetone, Fe3+ and Cr2O72- ions","CrystEngComm","2020","","","","","10.1039/D0CE00140F","","","0.71073","MoKα","","0.056","0.0458","","","0.1295","0.1374","","","","","","1.048","","","","has coordinates","248636","2020-10-21","18:00:00",""
"7240011","14.9929","0.0003","21.3309","0.0004","16.5227","0.0002","90","","98.64","0.002","90","","5224.19","0.16","293","2","293","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C54 H44 Cd2 Cl4 N8 O8 -","- C54 H44 Cd2 Cl4 N8 O8 -","- C216 H176 Cd8 Cl16 N32 O32 -","4","1","","Yong-Sheng, Shi; Liu, Dong; Fu, Lianshe; Li, Yuehua; Dong, Gui-Ying","Five water-stable luminescent CdII-based metal-organic frameworks as sensors for highly sensitive and selective detection of acetylacetone, Fe3+ and Cr2O72- ions","CrystEngComm","2020","","","","","10.1039/D0CE00140F","","","0.71073","MoKα","","0.077","0.0472","","","0.1192","0.1347","","","","","","1.031","","","","has coordinates","248636","2020-10-21","18:00:00",""
"7240012","9.6284","0.0006","10.2786","0.0004","18.7313","0.0009","91.228","0.004","101.525","0.004","90.458","0.004","1815.83","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H36.7 Cd Cl2 N6 O6.85 -","- C38 H30 Cd Cl2 N6 O4 -","- C76 H60 Cd2 Cl4 N12 O8 -","2","1","","Yong-Sheng, Shi; Liu, Dong; Fu, Lianshe; Li, Yuehua; Dong, Gui-Ying","Five water-stable luminescent CdII-based metal-organic frameworks as sensors for highly sensitive and selective detection of acetylacetone, Fe3+ and Cr2O72- ions","CrystEngComm","2020","","","","","10.1039/D0CE00140F","","","0.71073","MoKα","","0.0997","0.0735","","","0.1846","0.2002","","","","","","1.036","","","","has coordinates","248636","2020-10-21","18:00:00",""
"7240013","18.4777","0.0004","9.4892","0.0002","26.8332","0.0004","90","","91.811","0.002","90","","4702.55","0.16","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H37.5 Cd2 Cl4 N6 O11.75 -","- C45 H30 Cd2 Cl4 N6 O8 -","- C180 H120 Cd8 Cl16 N24 O32 -","4","1","","Yong-Sheng, Shi; Liu, Dong; Fu, Lianshe; Li, Yuehua; Dong, Gui-Ying","Five water-stable luminescent CdII-based metal-organic frameworks as sensors for highly sensitive and selective detection of acetylacetone, Fe3+ and Cr2O72- ions","CrystEngComm","2020","","","","","10.1039/D0CE00140F","","","0.71073","MoKα","","0.0593","0.0363","","","0.0796","0.0875","","","","","","0.989","","","","has coordinates,has disorder","248636","2020-10-21","18:00:00",""
"7240014","8.8566","0.0005","9.7807","0.0006","10.05","0.0006","68.906","0.001","84.726","0.001","87.008","0.001","808.62","0.08","273","2","273.15","","","","","","","","","5","P 1","P 1","1","","","","- C34 H36 N2 Ni O14 -","- C34 H36 N2 Ni O14 -","- C34 H36 N2 Ni O14 -","1","1","","Liu, Jin-Jian; Lu, Yiwei; Lu, Wenbo","Sun, UV and X ray triple photochromic properties of three coordination polymers based on 1,1′-bis(3-carboxylatobenzyl)-4,4′-bipyridinium ligand","CrystEngComm","2020","","","","","10.1039/D0CE00206B","","","0.71073","MoKα","","0.0355","0.0321","","","0.0965","0.1087","","","","","","1.152","","","","has coordinates","248637","2020-10-21","18:00:00",""
"7240015","9.0976","0.0006","9.225","0.0006","13.298","0.0009","76.768","0.002","80.206","0.002","62.475","0.001","960.76","0.11","273","2","273.15","","","","","","","","","5","P 1","P 1","1","","","","- C36 H37 N2 O20 Zn2 -","- C36 H37 N2 O20 Zn2 -","- C36 H37 N2 O20 Zn2 -","1","1","","Liu, Jin-Jian; Lu, Yiwei; Lu, Wenbo","Sun, UV and X ray triple photochromic properties of three coordination polymers based on 1,1′-bis(3-carboxylatobenzyl)-4,4′-bipyridinium ligand","CrystEngComm","2020","","","","","10.1039/D0CE00206B","","","0.71073","MoKα","","0.0367","0.0327","","","0.098","0.105","","","","","","1.11","","","","has coordinates","248637","2020-10-21","18:00:00",""
"7240016","8.8697","0.0005","9.7658","0.0006","10.0805","0.0006","69.141","0.001","84.882","0.001","86.982","0.002","812.48","0.08","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H17 Co0.5 N O7 -","- C17 H17 Co0.5 N O7 -","- C34 H34 Co N2 O14 -","2","1","","Liu, Jin-Jian; Lu, Yiwei; Lu, Wenbo","Sun, UV and X ray triple photochromic properties of three coordination polymers based on 1,1′-bis(3-carboxylatobenzyl)-4,4′-bipyridinium ligand","CrystEngComm","2020","","","","","10.1039/D0CE00206B","","","0.71073","MoKα","","0.0479","0.0456","","","0.128","0.1298","","","","","","1.045","","","","has coordinates","248637","2020-10-21","18:00:00",""
"7240017","9.1142","0.0005","14.0364","0.0006","7.8828","0.0004","90","","100.883","0.004","90","","990.31","0.09","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 N4 Ni O2 S2 -","- C16 H22 N4 Ni O2 S2 -","- C32 H44 N8 Ni2 O4 S4 -","2","0.5","","Wellm, Carsten; Neumann, Tristan; Ceglarska, Magdalena; Gallo, Gianpiero; Rams, Michał; Dinnebier, Robert E.; Nather, Christian","New isomeric Ni(NCS)2 coordination compounds: crystal structures, magnetic properties as well as ex situ and in situ investigations on their synthesis and transition behaviour","CrystEngComm","2020","","","","","10.1039/D0CE00181C","","","0.71073","MoKα","","0.0621","0.0583","","","0.1526","0.1566","","","","","","1.055","","","","has coordinates","248722","2020-10-21","18:00:00",""
"7240018","16.8134","0.0006","14.9609","0.0003","9.801","","90","","114.894","0.002","90","","2236.32","0.1","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H20 Cl2 N4 Ni S2 -","- C16 H18 N4 Ni S2 -","- C64 H72 N16 Ni4 S8 -","4","0.5","","Wellm, Carsten; Neumann, Tristan; Ceglarska, Magdalena; Gallo, Gianpiero; Rams, Michał; Dinnebier, Robert E.; Nather, Christian","New isomeric Ni(NCS)2 coordination compounds: crystal structures, magnetic properties as well as ex situ and in situ investigations on their synthesis and transition behaviour","CrystEngComm","2020","","","","","10.1039/D0CE00181C","","","0.71073","MoKα","","0.0296","0.0251","","","0.0642","0.0658","","","","","","1.077","","","","has coordinates,has disorder","248722","2020-10-21","18:00:00",""
"7240019","9.3096","0.0019","10.516","0.002","11.057","0.002","68.06","0.03","66.94","0.03","69.49","0.03","897.1","0.4","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N4 Ni S2 -","- C16 H18 N4 Ni S2 -","- C32 H36 N8 Ni2 S4 -","2","1","","Wellm, Carsten; Neumann, Tristan; Ceglarska, Magdalena; Gallo, Gianpiero; Rams, Michał; Dinnebier, Robert E.; Nather, Christian","New isomeric Ni(NCS)2 coordination compounds: crystal structures, magnetic properties as well as ex situ and in situ investigations on their synthesis and transition behaviour","CrystEngComm","2020","","","","","10.1039/D0CE00181C","","","0.71073","MoKα","","0.032","0.0269","","","0.0727","0.0743","","","","","","1.076","","","","has coordinates,has disorder","248722","2020-10-21","18:00:00",""
"7240020","10.103","0.0006","11.215","0.0006","18.545","0.0009","106.44","0.004","94.39","0.004","111.05","0.004","1843.2","0.19","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N4 Ni S2 -","- C16 H18 N4 Ni S2 -","- C64 H72 N16 Ni4 S8 -","4","2","","Wellm, Carsten; Neumann, Tristan; Ceglarska, Magdalena; Gallo, Gianpiero; Rams, Michał; Dinnebier, Robert E.; Nather, Christian","New isomeric Ni(NCS)2 coordination compounds: crystal structures, magnetic properties as well as ex situ and in situ investigations on their synthesis and transition behaviour","CrystEngComm","2020","","","","","10.1039/D0CE00181C","","","0.71073","MoKα","","0.0435","0.0341","","","0.0897","0.0928","","","","","","1.077","","","","has coordinates","248722","2020-10-21","18:00:00",""
"7240021","14.1317","0.0014","5.8342","0.0006","14.5513","0.0014","90","","90","","90","","1199.7","0.2","296","2","296","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C4 H26 Cl4 N2 Pb -","- C4 H26 Cl4 N2 Pb -","- C16 H104 Cl16 N8 Pb4 -","4","0.25","","Sun, Chen; Yue, Yun-Di; Zhang, Wei-Feng; Sun, Xing-Yu; Du, Yan; Pan, Hong-Mei; Ma, Yue-Yu; He, Yuan-Chun; Li, Meng-Ting; Jing, Zhi-Hong","[DMEDA]PbCl4: a one-dimensional organic lead halide perovskite with efficient yellow emission","CrystEngComm","2020","22","8","1480","1486","10.1039/C9CE01816F","","","0.71073","MoKα","","0.0179","0.0172","","","0.0469","0.0472","","","","","","1.087","","","","has coordinates","257441","2020-10-21","18:00:00",""
"7240022","6.467","0.007","7.524","0.008","16.983","0.018","90","","90","","90","","826.4","1.5","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C9 H8 N4 -","- C9 H8 N4 -","- C36 H32 N16 -","4","1","","Liang, Xiaoqiang; Cao, Tingting; Wang, Li; Zheng, Changzheng; Zhao, Yamei; Zhang, Feng; Wen, Chen; Feng, Lei; Wan, Chengan","From an organic ligand to a metal‒organic coordination polymer, and to a metal‒organic coordination polymer‒cocrystal composite: a continuous promotion of the proton conductivity of crystalline materials","CrystEngComm","2020","22","8","1414","1424","10.1039/C9CE01716J","","","0.71073","MoKα","","0.0458","0.0387","","","0.1008","0.1055","","","","","","0.953","","","","has coordinates","257442","2020-10-21","18:00:00",""
"7240023","7.607","0.006","10.131","0.007","18.949","0.013","86.816","0.011","79.942","0.011","78.363","0.011","1408","1.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H54 Co N16 O15 -","- C60 H54 Co N16 O15 -","- C60 H54 Co N16 O15 -","1","0.5","","Liang, Xiaoqiang; Cao, Tingting; Wang, Li; Zheng, Changzheng; Zhao, Yamei; Zhang, Feng; Wen, Chen; Feng, Lei; Wan, Chengan","From an organic ligand to a metal‒organic coordination polymer, and to a metal‒organic coordination polymer‒cocrystal composite: a continuous promotion of the proton conductivity of crystalline materials","CrystEngComm","2020","22","8","1414","1424","10.1039/C9CE01716J","","","0.71073","MoKα","","0.107","0.085","","","0.2511","0.2776","","","","","","1.058","","","","has coordinates","257442","2020-10-21","18:00:00",""
"7240024","7.337","0.012","8.408","0.014","9.584","0.016","106.7","0.02","98.23","0.03","107.36","0.02","523.3","1.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H8 Cu I N4 -","- C9 H8 Cu I N4 -","- C18 H16 Cu2 I2 N8 -","2","1","","Liang, Xiaoqiang; Cao, Tingting; Wang, Li; Zheng, Changzheng; Zhao, Yamei; Zhang, Feng; Wen, Chen; Feng, Lei; Wan, Chengan","From an organic ligand to a metal‒organic coordination polymer, and to a metal‒organic coordination polymer‒cocrystal composite: a continuous promotion of the proton conductivity of crystalline materials","CrystEngComm","2020","22","8","1414","1424","10.1039/C9CE01716J","","","0.71073","MoKα","","0.0666","0.0596","","","0.152","0.1588","","","","","","1.009","","","","has coordinates","257442","2020-10-21","18:00:00",""
"7240025","7.6799","0.0003","10.5256","0.0005","10.9153","0.0005","62.404","0.001","89.158","0.001","74.817","0.001","748.78","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 N4 Ni O8 -","- C32 H28 N4 Ni O8 -","- C32 H28 N4 Ni O8 -","1","0.5","","Zhao, Jing; Luan, Jian; Yu, Huixuan; Liu, Guocheng; Lin, Hongyan; Wang, Xiuli; Chen, Baokuan","Five naphthalene-amide-bridged Ni(ii) complexes: electrochemistry, bifunctional fluorescence responses, removal of contaminants and optimization by CVD","CrystEngComm","2020","22","8","1330","1339","10.1039/C9CE01764J","","","0.71073","MoKα","","0.0289","0.0274","","","0.0745","0.0753","","","","","","1.099","","","","has coordinates","257443","2020-10-21","18:00:00",""
"7240026","11.428","0.002","12.41","0.003","12.769","0.003","61.507","0.002","88.882","0.004","76.364","0.004","1537.5","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H32 N4 Ni O11 S -","- C30 H32 N4 Ni O11 S -","- C60 H64 N8 Ni2 O22 S2 -","2","1","","Zhao, Jing; Luan, Jian; Yu, Huixuan; Liu, Guocheng; Lin, Hongyan; Wang, Xiuli; Chen, Baokuan","Five naphthalene-amide-bridged Ni(ii) complexes: electrochemistry, bifunctional fluorescence responses, removal of contaminants and optimization by CVD","CrystEngComm","2020","22","8","1330","1339","10.1039/C9CE01764J","","","0.71073","MoKα","","0.0699","0.0519","","","0.1491","0.1574","","","","","","1.009","","","","has coordinates","257443","2020-10-21","18:00:00",""
"7240027","34.36","0.007","9.0513","0.0016","19.787","0.003","90","","107.545","0.007","90","","5867.5","1.8","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H54 N8 Ni2 O17 S2 -","- C60 H54 N8 Ni2 O17 S2 -","- C240 H216 N32 Ni8 O68 S8 -","4","0.5","","Zhao, Jing; Luan, Jian; Yu, Huixuan; Liu, Guocheng; Lin, Hongyan; Wang, Xiuli; Chen, Baokuan","Five naphthalene-amide-bridged Ni(ii) complexes: electrochemistry, bifunctional fluorescence responses, removal of contaminants and optimization by CVD","CrystEngComm","2020","22","8","1330","1339","10.1039/C9CE01764J","","","0.71073","MoKα","","0.0541","0.0363","","","0.0842","0.0963","","","","","","1.029","","","","has coordinates","257443","2020-10-21","18:00:00",""
"7240028","16.5083","0.0007","9.8738","0.0004","19.9446","0.0008","90","","107.595","0.001","90","","3098.9","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H32 N4 Ni O8 -","- C34 H32 N4 Ni O8 -","- C136 H128 N16 Ni4 O32 -","4","1","","Zhao, Jing; Luan, Jian; Yu, Huixuan; Liu, Guocheng; Lin, Hongyan; Wang, Xiuli; Chen, Baokuan","Five naphthalene-amide-bridged Ni(ii) complexes: electrochemistry, bifunctional fluorescence responses, removal of contaminants and optimization by CVD","CrystEngComm","2020","22","8","1330","1339","10.1039/C9CE01764J","","","0.71073","MoKα","","0.0636","0.0419","","","0.1077","0.1206","","","","","","1.017","","","","has coordinates","257443","2020-10-21","18:00:00",""
"7240029","21.551","0.002","7.2511","0.0007","20.83","0.0018","90","","117.421","0.001","90","","2889.4","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H28 N4 Ni O9 -","- C32 H28 N4 Ni O9 -","- C128 H112 N16 Ni4 O36 -","4","0.5","","Zhao, Jing; Luan, Jian; Yu, Huixuan; Liu, Guocheng; Lin, Hongyan; Wang, Xiuli; Chen, Baokuan","Five naphthalene-amide-bridged Ni(ii) complexes: electrochemistry, bifunctional fluorescence responses, removal of contaminants and optimization by CVD","CrystEngComm","2020","22","8","1330","1339","10.1039/C9CE01764J","","","0.71073","MoKα","","0.0729","0.0715","","","0.1717","0.1723","","","","","","1.048","","","","has coordinates","257443","2020-10-21","18:00:00",""
"7240030","15.6642","0.0007","14.0331","0.0007","26.9234","0.0013","90","","92.866","0.001","90","","5910.8","0.5","296","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H17 Cu2 N4 O9 -","- C33 H17 Cu2 N4 O9 -","- C264 H136 Cu16 N32 O72 -","8","1","","Liu, Guocheng; Liang, Shuang; Li, Qiaomin; Guo, Jiao; Xu, Na; Wang, Xiuli; Li, Yan; Chen, Baokuan","Metal/N-donor-induced versatile structures and properties of seven 0D →3D complexes based on dpq/dppz and O-bridged tricarboxylate: fluorescence and electrochemical behaviors","CrystEngComm","2020","22","7","1209","1219","10.1039/C9CE01878F","","","0.71073","MoKα","","0.0748","0.0458","","","0.1116","0.1259","","","","","","1.001","","","","has coordinates","257480","2020-10-21","18:00:00",""
"7240031","7.6768","0.0006","22.9016","0.0018","15.1581","0.0012","90","","94.189","0.002","90","","2657.8","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H20 Co N4 O8 -","- C33 H20 Co N4 O8 -","- C132 H80 Co4 N16 O32 -","4","1","","Liu, Guocheng; Liang, Shuang; Li, Qiaomin; Guo, Jiao; Xu, Na; Wang, Xiuli; Li, Yan; Chen, Baokuan","Metal/N-donor-induced versatile structures and properties of seven 0D →3D complexes based on dpq/dppz and O-bridged tricarboxylate: fluorescence and electrochemical behaviors","CrystEngComm","2020","22","7","1209","1219","10.1039/C9CE01878F","","","0.71073","MoKα","","0.1017","0.0479","","","0.0997","0.1172","","","","","","1.008","","","","has coordinates","257480","2020-10-21","18:00:00",""
"7240032","31.9886","0.0019","14.0007","0.0007","15.8473","0.0008","90","","98.91","0.002","90","","7011.8","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H54 N12 Ni3 O22 -","- C72 H54 N12 Ni3 O22 -","- C288 H216 N48 Ni12 O88 -","4","0.5","","Liu, Guocheng; Liang, Shuang; Li, Qiaomin; Guo, Jiao; Xu, Na; Wang, Xiuli; Li, Yan; Chen, Baokuan","Metal/N-donor-induced versatile structures and properties of seven 0D →3D complexes based on dpq/dppz and O-bridged tricarboxylate: fluorescence and electrochemical behaviors","CrystEngComm","2020","22","7","1209","1219","10.1039/C9CE01878F","","","0.71073","MoKα","","0.0775","0.0463","","","0.118","0.134","","","","","","1.002","","","","has coordinates","257480","2020-10-21","18:00:00",""
"7240033","9.747","0.0005","11.5054","0.0006","12.5424","0.0007","99.091","0.001","90.462","0.001","109.098","0.001","1309.74","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H20 N4 O9 Zn -","- C29 H20 N4 O9 Zn -","- C58 H40 N8 O18 Zn2 -","2","1","","Liu, Guocheng; Liang, Shuang; Li, Qiaomin; Guo, Jiao; Xu, Na; Wang, Xiuli; Li, Yan; Chen, Baokuan","Metal/N-donor-induced versatile structures and properties of seven 0D →3D complexes based on dpq/dppz and O-bridged tricarboxylate: fluorescence and electrochemical behaviors","CrystEngComm","2020","22","7","1209","1219","10.1039/C9CE01878F","","","0.71073","MoKα","","0.0513","0.0357","","","0.0768","0.0828","","","","","","1.024","","","","has coordinates","257480","2020-10-21","18:00:00",""
"7240034","9.867","0.0005","13.5792","0.0006","19.1123","0.0009","90","","94.495","0.001","90","","2552.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H20 Cu N4 O9 -","- C29 H20 Cu N4 O9 -","- C116 H80 Cu4 N16 O36 -","4","1","","Liu, Guocheng; Liang, Shuang; Li, Qiaomin; Guo, Jiao; Xu, Na; Wang, Xiuli; Li, Yan; Chen, Baokuan","Metal/N-donor-induced versatile structures and properties of seven 0D →3D complexes based on dpq/dppz and O-bridged tricarboxylate: fluorescence and electrochemical behaviors","CrystEngComm","2020","22","7","1209","1219","10.1039/C9CE01878F","","","0.71073","MoKα","","0.0441","0.0318","","","0.0819","0.0878","","","","","","1.003","","","","has coordinates","257480","2020-10-21","18:00:00",""
"7240035","9.6652","0.0006","11.526","0.0007","12.5516","0.0008","80.708","0.001","89.602","0.001","70.774","0.001","1301.35","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H20 Co N4 O9 -","- C29 H20 Co N4 O9 -","- C58 H40 Co2 N8 O18 -","2","1","","Liu, Guocheng; Liang, Shuang; Li, Qiaomin; Guo, Jiao; Xu, Na; Wang, Xiuli; Li, Yan; Chen, Baokuan","Metal/N-donor-induced versatile structures and properties of seven 0D →3D complexes based on dpq/dppz and O-bridged tricarboxylate: fluorescence and electrochemical behaviors","CrystEngComm","2020","22","7","1209","1219","10.1039/C9CE01878F","","","0.71073","MoKα","","0.0378","0.0312","","","0.0744","0.0777","","","","","","1.035","","","","has coordinates","257480","2020-10-21","18:00:00",""
"7240036","15.7534","0.0008","32.9347","0.0016","15.7929","0.0008","90","","111.776","0.001","90","","7609.2","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C84 H50 N12 Ni3 O17 -","- C84 H50 N12 Ni3 O17 -","- C336 H200 N48 Ni12 O68 -","4","1","","Liu, Guocheng; Liang, Shuang; Li, Qiaomin; Guo, Jiao; Xu, Na; Wang, Xiuli; Li, Yan; Chen, Baokuan","Metal/N-donor-induced versatile structures and properties of seven 0D →3D complexes based on dpq/dppz and O-bridged tricarboxylate: fluorescence and electrochemical behaviors","CrystEngComm","2020","22","7","1209","1219","10.1039/C9CE01878F","","","0.71073","MoKα","","0.1339","0.0629","","","0.114","0.1338","","","","","","1.017","","","","has coordinates","257480","2020-10-21","18:00:00",""
"7240037","7.1646","0.0004","8.5039","0.0011","10.0021","0.0011","104.049","0.01","97.995","0.006","96.617","0.007","578.34","0.11","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H12 Li2 O10 -","- C8 H12 Li2 O10 -","- C16 H24 Li4 O20 -","2","1","","Quarez, Éric; Jouhara, Alia; Grolleau, Stéphane; Dolhem, Franck; Dupré, Nicolas; Poizot, Philippe","From partial to complete neutralization of 2,5-dihydroxyterephthalic acid in the Li‒Na system: crystal chemistry and electrochemical behavior of Na2Li2C8H2O6vs. Li","CrystEngComm","2020","22","9","1653","1663","10.1039/C9CE01674K","","","0.71073","MoKα","","0.0814","0.0481","","","0.1","0.1175","","","","","","1.079","","","","has coordinates","257481","2020-10-21","18:00:00",""
"7240038","7.3738","0.0011","7.4503","0.0014","8.1802","0.0008","76.479","0.013","66.792","0.008","84.39","0.02","401.58","0.11","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H18 Li2 Na2 O14 -","- C8 H18 Li2 Na2 O14 -","- C8 H18 Li2 Na2 O14 -","1","0.5","","Quarez, Éric; Jouhara, Alia; Grolleau, Stéphane; Dolhem, Franck; Dupré, Nicolas; Poizot, Philippe","From partial to complete neutralization of 2,5-dihydroxyterephthalic acid in the Li‒Na system: crystal chemistry and electrochemical behavior of Na2Li2C8H2O6vs. Li","CrystEngComm","2020","22","9","1653","1663","10.1039/C9CE01674K","","","0.71073","MoKα","","0.0525","0.0364","","","0.0836","0.0924","","","","","","1.137","","","","has coordinates","257481","2020-10-21","18:00:00",""
"7240039","7.272","0.0003","9.1631","0.0003","10.5276","0.0012","97.273","0.006","110.034","0.006","111.668","0.003","586.18","0.08","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H12 Li2 O10 -","- C8 H12 Li2 O10 -","- C16 H24 Li4 O20 -","2","1","","Quarez, Éric; Jouhara, Alia; Grolleau, Stéphane; Dolhem, Franck; Dupré, Nicolas; Poizot, Philippe","From partial to complete neutralization of 2,5-dihydroxyterephthalic acid in the Li‒Na system: crystal chemistry and electrochemical behavior of Na2Li2C8H2O6vs. Li","CrystEngComm","2020","22","9","1653","1663","10.1039/C9CE01674K","","","0.71073","MoKα","","0.0644","0.0461","","","0.114","0.1282","","","","","","1.106","","","","has coordinates","257481","2020-10-21","18:00:00",""
"7240040","7.3226","0.0011","9.2359","0.0005","18.444","0.002","100.611","0.006","90.051","0.012","101.428","0.011","1200.8","0.2","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H12 Na2 O10 -","- C8 H12 Na2 O10 -","- C32 H48 Na8 O40 -","4","2","","Quarez, Éric; Jouhara, Alia; Grolleau, Stéphane; Dolhem, Franck; Dupré, Nicolas; Poizot, Philippe","From partial to complete neutralization of 2,5-dihydroxyterephthalic acid in the Li‒Na system: crystal chemistry and electrochemical behavior of Na2Li2C8H2O6vs. Li","CrystEngComm","2020","22","9","1653","1663","10.1039/C9CE01674K","","","0.71073","MoKα","","0.1197","0.0555","","","0.1248","0.1593","","","","","","1.059","","","","has coordinates","257481","2020-10-21","18:00:00",""
"7240054","6.3212","0.0009","6.3212","0.0009","53.448","0.011","90","","90","","120","","1849.5","0.5","173","2","173","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C9 H24 N2 O3 -","- C9 H24 N2 O3 -","- C54 H144 N12 O18 -","6","0.166667","","Odounga Odounga, Jean-Eudes; Báthori, Nikoletta B.","Systematic comparison of racemic and enantiopure multicomponent crystals of phenylsuccinic acid—the role of chirality","CrystEngComm","2020","","","","","10.1039/D0CE00072H","","","0.71073","MoKα","","0.0359","0.0331","","","0.0922","0.0946","","","","","","1.118","","","","has coordinates","249106","2020-10-21","18:00:00",""
"7240055","5.6697","0.0004","10.5672","0.0006","15.5754","0.001","109.348","0.001","96.606","0.001","91.607","0.001","872.44","0.1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H20 N2 O4 -","- C20 H20 N2 O4 -","- C40 H40 N4 O8 -","2","1","","Odounga Odounga, Jean-Eudes; Báthori, Nikoletta B.","Systematic comparison of racemic and enantiopure multicomponent crystals of phenylsuccinic acid—the role of chirality","CrystEngComm","2020","","","","","10.1039/D0CE00072H","","","0.71073","MoKα","","0.0389","0.0359","","","0.0885","0.0907","","","","","","1.059","","","","has coordinates","249106","2020-10-21","18:00:00",""
"7240056","5.7726","0.0012","7.9815","0.0016","16.594","0.003","99.36","0.03","99.28","0.03","97.44","0.03","734.9","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H15 N3 O5 -","- C15 H15 N3 O5 -","- C30 H30 N6 O10 -","2","1","","Odounga Odounga, Jean-Eudes; Báthori, Nikoletta B.","Systematic comparison of racemic and enantiopure multicomponent crystals of phenylsuccinic acid—the role of chirality","CrystEngComm","2020","","","","","10.1039/D0CE00072H","","","0.71073","MoKα","","0.0553","0.0403","","","0.0898","0.0971","","","","","","1.04","","","","has coordinates","249106","2020-10-21","18:00:00",""
"7240057","25.731","0.005","8.2594","0.0017","12.118","0.002","90","","90","","90","","2575.3","0.8","173","2","173","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C28 H31 N3 O4 -","- C28 H31 N3 O4 -","- C112 H124 N12 O16 -","4","1","","Odounga Odounga, Jean-Eudes; Báthori, Nikoletta B.","Systematic comparison of racemic and enantiopure multicomponent crystals of phenylsuccinic acid—the role of chirality","CrystEngComm","2020","","","","","10.1039/D0CE00072H","","","0.71073","MoKα","","0.0473","0.0415","","","0.0996","0.1028","","","","","","1.068","","","","has coordinates,has disorder","249106","2020-10-21","18:00:00",""
"7240058","7.1918","0.0014","8.757","0.0018","18.766","0.004","89.75","0.03","79.83","0.03","72.07","0.03","1105.2","0.5","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C24 H28 N2 O4 -","- C24 H28 N2 O4 -","- C48 H56 N4 O8 -","2","2","","Odounga Odounga, Jean-Eudes; Báthori, Nikoletta B.","Systematic comparison of racemic and enantiopure multicomponent crystals of phenylsuccinic acid—the role of chirality","CrystEngComm","2020","","","","","10.1039/D0CE00072H","","","0.71073","MoKα","","0.1152","0.0647","","","0.1511","0.1786","","","","","","1.023","","","","has coordinates,has disorder","249106","2020-10-21","18:00:00",""
"7240059","9.531","0.0019","8.303","0.0017","9.885","0.002","90","","111.82","0.03","90","","726.2","0.3","173","2","173","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C16 H17 N O4 -","- C16 H17 N O4 -","- C32 H34 N2 O8 -","2","1","","Odounga Odounga, Jean-Eudes; Báthori, Nikoletta B.","Systematic comparison of racemic and enantiopure multicomponent crystals of phenylsuccinic acid—the role of chirality","CrystEngComm","2020","","","","","10.1039/D0CE00072H","","","0.71073","MoKα","","0.05","0.0392","","","0.081","0.0862","","","","","","0.992","","","","has coordinates","249106","2020-10-21","18:00:00",""
"7240060","8.3469","0.0017","12.268","0.003","20.595","0.004","84.66","0.03","86.58","0.03","76.63","0.03","2041.3","0.8","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C88 H96 N4 O24 -","- C88 H96 N4 O24 -","- C88 H96 N4 O24 -","1","1","","Odounga Odounga, Jean-Eudes; Báthori, Nikoletta B.","Systematic comparison of racemic and enantiopure multicomponent crystals of phenylsuccinic acid—the role of chirality","CrystEngComm","2020","","","","","10.1039/D0CE00072H","","","0.71073","MoKα","","0.1012","0.0768","","","0.1977","0.2177","","","","","","1.019","","","","has coordinates","249106","2020-10-21","18:00:00",""
"7240061","11.773","0.002","8.493","0.0017","22.318","0.005","90","","96.22","0.03","90","","2218.4","0.8","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 N2 O4 -","- C24 H28 N2 O4 -","- C96 H112 N8 O16 -","4","1","","Odounga Odounga, Jean-Eudes; Báthori, Nikoletta B.","Systematic comparison of racemic and enantiopure multicomponent crystals of phenylsuccinic acid—the role of chirality","CrystEngComm","2020","","","","","10.1039/D0CE00072H","","","0.71073","MoKα","","0.0822","0.0545","","","0.1303","0.1464","","","","","","1.025","","","","has coordinates,has disorder","249106","2020-10-21","18:00:00",""
"7240062","22.906","0.005","5.7441","0.0011","15.376","0.003","90","","100.98","0.03","90","","1986.1","0.7","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 N2 O4 -","- C22 H24 N2 O4 -","- C88 H96 N8 O16 -","4","1","","Odounga Odounga, Jean-Eudes; Báthori, Nikoletta B.","Systematic comparison of racemic and enantiopure multicomponent crystals of phenylsuccinic acid—the role of chirality","CrystEngComm","2020","","","","","10.1039/D0CE00072H","","","0.71073","MoKα","","0.1345","0.0782","","","0.1955","0.2287","","","","","","1.035","","","","has coordinates,has disorder","249106","2020-10-21","18:00:00",""
"7240063","7.0626","0.0014","8.7704","0.0018","18.63","0.004","90.98","0.03","100.42","0.03","107.25","0.03","1080.8","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H28 N2 O4 -","- C24 H28 N2 O4 -","- C48 H56 N4 O8 -","2","1","","Odounga Odounga, Jean-Eudes; Báthori, Nikoletta B.","Systematic comparison of racemic and enantiopure multicomponent crystals of phenylsuccinic acid—the role of chirality","CrystEngComm","2020","","","","","10.1039/D0CE00072H","","","0.71073","MoKα","","0.0683","0.0513","","","0.1213","0.1313","","","","","","1.057","","","","has coordinates","249106","2020-10-21","18:00:00",""
"7240064","12.222","0.002","14.926","0.003","22.984","0.005","90","","103.42","0.03","90","","4078.4","1.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H48 N2 O12 -","- C44 H48 N2 O12 -","- C176 H192 N8 O48 -","4","1","","Odounga Odounga, Jean-Eudes; Báthori, Nikoletta B.","Systematic comparison of racemic and enantiopure multicomponent crystals of phenylsuccinic acid—the role of chirality","CrystEngComm","2020","","","","","10.1039/D0CE00072H","","","0.71073","MoKα","","0.1101","0.0696","","","0.1655","0.1906","","","","","","1.03","","","","has coordinates,has disorder","249106","2020-10-21","18:00:00",""
"7240077","11.7653","0.0006","15.9132","0.0008","6.9886","0.0003","90","","116.846","0.005","90","","1167.41","0.11","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C12 H16 K2 N12 O16 Zn -","- C12 H16 K2 N12 O16 Zn -","- C24 H32 K4 N24 O32 Zn2 -","2","0.25","","Kang, Kaijin; Meng, Xianghe; Liang, Fei; Tang, Jian; Zeng, Tixian; Yin, Wenlong; Lin, Zheshuai; Xia, Mingjun","Hydroisocyanurates X2Y(H2C3N3O3)4•4H2O (X = K, Cs; Y = Zn, Cd) with large birefringence stemming from π−conjugated (H2C3N3O3)− anions","CrystEngComm","2020","","","","","10.1039/D0CE00094A","","","0.71073","MoKα","","0.0187","0.018","","","0.0567","0.0569","","","","","","1.17","","","","has coordinates","249163","2020-10-21","18:00:00",""
"7240078","10.6404","0.0006","16.1413","0.001","7.0699","0.0004","90","","99.247","0.006","90","","1198.48","0.12","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C12 H16 Cd K2 N12 O16 -","- C12 H16 Cd K2 N12 O16 -","- C24 H32 Cd2 K4 N24 O32 -","2","0.25","","Kang, Kaijin; Meng, Xianghe; Liang, Fei; Tang, Jian; Zeng, Tixian; Yin, Wenlong; Lin, Zheshuai; Xia, Mingjun","Hydroisocyanurates X2Y(H2C3N3O3)4•4H2O (X = K, Cs; Y = Zn, Cd) with large birefringence stemming from π−conjugated (H2C3N3O3)− anions","CrystEngComm","2020","","","","","10.1039/D0CE00094A","","","0.71073","MoKα","","0.0198","0.0197","","","0.0514","0.0515","","","","","","1.113","","","","has coordinates","249163","2020-10-21","18:00:00",""
"7240079","11.3093","0.0009","16.4363","0.001","7.1029","0.0005","90","","104.568","0.008","90","","1277.86","0.16","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C12 H16 Cs2 N12 O16 Zn -","- C12 H16 Cs2 N12 O16 Zn -","- C24 H32 Cs4 N24 O32 Zn2 -","2","0.25","","Kang, Kaijin; Meng, Xianghe; Liang, Fei; Tang, Jian; Zeng, Tixian; Yin, Wenlong; Lin, Zheshuai; Xia, Mingjun","Hydroisocyanurates X2Y(H2C3N3O3)4•4H2O (X = K, Cs; Y = Zn, Cd) with large birefringence stemming from π−conjugated (H2C3N3O3)− anions","CrystEngComm","2020","","","","","10.1039/D0CE00094A","","","0.71073","MoKα","","0.0332","0.0312","","","0.0827","0.084","","","","","","1.075","","","","has coordinates","249163","2020-10-21","18:00:00",""
"7240080","19.824","0.007","11.339","0.004","21.851","0.008","90","","102.489","0.005","90","","4796","3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H36 Br4 Co N8 O4 -","- C52 H36 Br4 Co N8 O4 -","- C208 H144 Br16 Co4 N32 O16 -","4","0.5","","Li, Ai-Ling; Qu, Yun-Hua; Fu, Lianshe; han, chao; Cui, Guang Hua","Multidimensional luminescent cobalt(II)-coordination polymers as sensors with extremely high sensitivity and selectivity for detecting of acetylacetone, benzaldehyde and Cr2O72‒","CrystEngComm","2020","","","","","10.1039/D0CE00077A","","","0.71073","MoKα","","0.0543","0.0326","","","0.0686","0.0748","","","","","","1","","","","has coordinates","249164","2020-10-21","18:00:00",""
"7240081","11.7985","0.0004","12.4546","0.0004","14.7712","0.0005","69.939","0.003","77.41","0.002","71.947","0.003","1923.28","0.12","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H28 Br4 Co N6 O4 -","- C41 H28 Br4 Co N6 O4 -","- C82 H56 Br8 Co2 N12 O8 -","2","1","","Li, Ai-Ling; Qu, Yun-Hua; Fu, Lianshe; han, chao; Cui, Guang Hua","Multidimensional luminescent cobalt(II)-coordination polymers as sensors with extremely high sensitivity and selectivity for detecting of acetylacetone, benzaldehyde and Cr2O72‒","CrystEngComm","2020","","","","","10.1039/D0CE00077A","","","0.71073","MoKα","","0.1021","0.064","","","0.1327","0.148","","","","","","1.064","","","","has coordinates","249164","2020-10-21","18:00:00",""
"7240082","11.0843","0.0007","13.9824","0.0009","17.4272","0.001","104.024","0.001","99.077","0.002","112.104","0.002","2332.9","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H37 Br4 Co N8 O4 -","- C52 H37 Br4 Co N8 O4 -","- C104 H74 Br8 Co2 N16 O8 -","2","1","","Li, Ai-Ling; Qu, Yun-Hua; Fu, Lianshe; han, chao; Cui, Guang Hua","Multidimensional luminescent cobalt(II)-coordination polymers as sensors with extremely high sensitivity and selectivity for detecting of acetylacetone, benzaldehyde and Cr2O72‒","CrystEngComm","2020","","","","","10.1039/D0CE00077A","","","0.71073","MoKα","","0.0564","0.045","","","0.1286","0.1367","","","","","","0.978","","","","has coordinates","249164","2020-10-21","18:00:00",""
"7240083","13.846","0.003","15.903","0.004","15.702","0.004","90","","95.968","0.005","90","","3438.7","1.4","173","2","173.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H33 N4 O16 Tb -","- C36 H33 N4 O16 Tb -","- C144 H132 N16 O64 Tb4 -","4","0.5","","Li, Qipeng; Qian, Jinjie; Zhou, Jie; Du, Lin; Zhao, Qi-Hua","Highly chemical and thermally stable lanthanide coordination polymers for luminescent probe and white light emitting diodes","CrystEngComm","2020","","","","","10.1039/D0CE00228C","","","0.71073","MoKα","","0.0215","0.021","","","0.0513","0.0517","","","","","","1.071","","","","has coordinates","249165","2020-10-21","18:00:00",""
"7240084","13.86","0.004","15.922","0.004","15.717","0.007","90","","95.973","0.005","90","","3450","2","173","2","173.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H33 Gd N4 O16 -","- C36 H33 Gd N4 O16 -","- C144 H132 Gd4 N16 O64 -","4","0.5","","Li, Qipeng; Qian, Jinjie; Zhou, Jie; Du, Lin; Zhao, Qi-Hua","Highly chemical and thermally stable lanthanide coordination polymers for luminescent probe and white light emitting diodes","CrystEngComm","2020","","","","","10.1039/D0CE00228C","","","0.71073","MoKα","","0.0245","0.0235","","","0.0548","0.0555","","","","","","1.067","","","","has coordinates","249165","2020-10-21","18:00:00",""
"7240085","13.874","0.003","15.916","0.004","15.76","0.004","90","","96.095","0.004","90","","3460.4","1.4","173","2","173.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H32 Eu N4 O16 -","- C36 H31.5 Eu N4 O16 -","- C144 H126 Eu4 N16 O64 -","4","0.5","","Li, Qipeng; Qian, Jinjie; Zhou, Jie; Du, Lin; Zhao, Qi-Hua","Highly chemical and thermally stable lanthanide coordination polymers for luminescent probe and white light emitting diodes","CrystEngComm","2020","","","","","10.1039/D0CE00228C","","","0.71073","MoKα","","0.0208","0.0201","","","0.0501","0.0506","","","","","","1.116","","","","has coordinates,has disorder","249165","2020-10-21","18:00:00",""
"7240086","17.2085","0.0006","12.9123","0.0005","7.4057","0.0002","90","","98.71","0.002","90","","1626.58","0.1","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N6 O7 Pb -","- C12 H10 N6 O7 Pb -","- C48 H40 N24 O28 Pb4 -","4","1","","Safin, Damir; Mahmoudi, Ghodrat; Akbari Afkhami, Farhad; Gupta, Arunava; Qu, Fengrui; Kose, Muhammet; Zubkov, Fedor Ivanovich; Zangrando, Ennio; Alkorta, Ibon","Supramolecular lead(II) architectures engineered by tetrel bonds","CrystEngComm","2020","","","","","10.1039/D0CE00102C","","","0.71073","MoKα","","0.0218","0.0172","","","0.0384","0.0395","","","","","","1.075","","","","has coordinates","249166","2020-10-21","18:00:00",""
"7240087","10.4298","0.0016","9.44","0.0012","15.177","0.0018","90","","105.911","0.015","90","","1437","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H9 Cl N4 O5 Pb -","- C12 H9 Cl N4 O5 Pb -","- C48 H36 Cl4 N16 O20 Pb4 -","4","1","","Safin, Damir; Mahmoudi, Ghodrat; Akbari Afkhami, Farhad; Gupta, Arunava; Qu, Fengrui; Kose, Muhammet; Zubkov, Fedor Ivanovich; Zangrando, Ennio; Alkorta, Ibon","Supramolecular lead(II) architectures engineered by tetrel bonds","CrystEngComm","2020","","","","","10.1039/D0CE00102C","","","0.71073","MoKα","","0.1149","0.0732","","","0.1579","0.1901","","","","","","0.996","","","","has coordinates,has disorder","249166","2020-10-21","18:00:00",""
"7240088","7.0192","0.0004","16.1126","0.0007","15.0998","0.0008","90","","102.955","0.004","90","","1664.28","0.15","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C28 H24 N12 O8 Pb2 S2 -","- C28 H24 N12 O8 Pb2 S2 -","- C56 H48 N24 O16 Pb4 S4 -","2","0.5","","Safin, Damir; Mahmoudi, Ghodrat; Akbari Afkhami, Farhad; Gupta, Arunava; Qu, Fengrui; Kose, Muhammet; Zubkov, Fedor Ivanovich; Zangrando, Ennio; Alkorta, Ibon","Supramolecular lead(II) architectures engineered by tetrel bonds","CrystEngComm","2020","","","","","10.1039/D0CE00102C","","","0.71073","MoKα","","0.045","0.0423","","","0.1043","0.1055","","","","","","1.059","","","","has coordinates","249166","2020-10-21","18:00:00",""
"7240107","7.552","0.003","22.128","0.008","7.398","0.003","90","","91.831","0.011","90","","1235.7","0.8","298","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 Cl8 Cu2 N4 -","- C14 H22 Cl8 Cu2 N4 -","- C28 H44 Cl16 Cu4 N8 -","2","0.5","","Lu, Hai Dong; Li, Hai Tao; Xin, Lianxin; Guo, Fang","Effect of stepwise protonation of an N-containing ligand on the formation of metal-organic salts and coordination complexes in the solid state","CrystEngComm","2020","","","","","10.1039/D0CE00093K","","","0.71073","MoKα","","0.0714","0.0669","","","0.1644","0.1673","","","","","","1.231","","","","has coordinates","249310","2020-10-21","18:00:00",""
"7240108","7.9785","0.0005","10.715","0.0007","10.8206","0.0007","63.205","0.002","73.58","0.002","87.892","0.002","787.59","0.09","296","2","296.16","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H28 I6 N4 O2 Zn2 -","- C16 H28 I6 N4 O2 Zn2 -","- C16 H28 I6 N4 O2 Zn2 -","1","0.5","","Lu, Hai Dong; Li, Hai Tao; Xin, Lianxin; Guo, Fang","Effect of stepwise protonation of an N-containing ligand on the formation of metal-organic salts and coordination complexes in the solid state","CrystEngComm","2020","","","","","10.1039/D0CE00093K","","","0.71073","MoKα","","0.0391","0.036","","","0.083","0.0859","","","","","","1.183","","","","has coordinates","249310","2020-10-21","18:00:00",""
"7240109","7.458","0.005","9.586","0.006","9.603","0.006","99.83","0.018","95.106","0.018","103.695","0.019","651.2","0.7","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H24 Br6 N4 O2 Zn2 -","- C14 H24 Br6 N4 O2 Zn2 -","- C14 H24 Br6 N4 O2 Zn2 -","1","0.5","","Lu, Hai Dong; Li, Hai Tao; Xin, Lianxin; Guo, Fang","Effect of stepwise protonation of an N-containing ligand on the formation of metal-organic salts and coordination complexes in the solid state","CrystEngComm","2020","","","","","10.1039/D0CE00093K","","","0.71073","MoKα","","0.1155","0.0966","","","0.2295","0.2491","","","","","","1.197","","","","has coordinates","249310","2020-10-21","18:00:00",""
"7240110","7.7826","0.0018","9.85","0.002","10.106","0.002","101.146","0.006","94.713","0.006","105.848","0.006","723.7","0.3","296","2","296.16","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H24 I6 N4 O2 Zn2 -","- C14 H24 I6 N4 O2 Zn2 -","- C14 H24 I6 N4 O2 Zn2 -","1","0.5","","Lu, Hai Dong; Li, Hai Tao; Xin, Lianxin; Guo, Fang","Effect of stepwise protonation of an N-containing ligand on the formation of metal-organic salts and coordination complexes in the solid state","CrystEngComm","2020","","","","","10.1039/D0CE00093K","","","0.71073","MoKα","","0.067","0.0656","","","0.1968","0.1989","","","","","","1.131","","","","has coordinates","249310","2020-10-21","18:00:00",""
"7240111","12.2223","0.0006","8.3549","0.0004","13.5644","0.0007","90","","105.261","0.002","90","","1336.3","0.12","295","2","295.07","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H26 Cl8 N4 O2 Zn2 -","- C14 H26 Cl8 N4 O2 Zn2 -","- C28 H52 Cl16 N8 O4 Zn4 -","2","0.5","","Lu, Hai Dong; Li, Hai Tao; Xin, Lianxin; Guo, Fang","Effect of stepwise protonation of an N-containing ligand on the formation of metal-organic salts and coordination complexes in the solid state","CrystEngComm","2020","","","","","10.1039/D0CE00093K","","","0.71073","MoKα","","0.0388","0.0356","","","0.0941","0.0968","","","","","","1.102","","","","has coordinates","249310","2020-10-21","18:00:00",""
"7240112","10.2666","0.0006","9.5232","0.0006","13.0868","0.0008","90","","106.857","0.002","90","","1224.53","0.13","298","2","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H22 Cl8 N4 Zn2 -","- C14 H22 Cl8 N4 Zn2 -","- C28 H44 Cl16 N8 Zn4 -","2","0.5","","Lu, Hai Dong; Li, Hai Tao; Xin, Lianxin; Guo, Fang","Effect of stepwise protonation of an N-containing ligand on the formation of metal-organic salts and coordination complexes in the solid state","CrystEngComm","2020","","","","","10.1039/D0CE00093K","","","0.71076","MoKα","","0.0287","0.0268","","","0.0648","0.0662","","","","","","1.121","","","","has coordinates","249310","2020-10-21","18:00:00",""
"7240113","8.0705","0.0006","20.8072","0.0016","7.8346","0.0006","90","","93.907","0.003","90","","1312.56","0.17","296","2","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H30 I4 N4 O2 -","- C16 H30 I4 N4 O2 -","- C32 H60 I8 N8 O4 -","2","0.5","","Lu, Hai Dong; Li, Hai Tao; Xin, Lianxin; Guo, Fang","Effect of stepwise protonation of an N-containing ligand on the formation of metal-organic salts and coordination complexes in the solid state","CrystEngComm","2020","","","","","10.1039/D0CE00093K","","","0.71073","MoKα","","0.0416","0.0409","","","0.0943","0.0947","","","","","","1.2","","","","has coordinates","249310","2020-10-21","18:00:00",""
"7240114","7.7157","0.0013","22.709","0.004","7.5681","0.0013","90","","90.842","0.007","90","","1325.9","0.4","273","2","273","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 Br8 Cu2 N4 -","- C14 H22 Br8 Cu2 N4 -","- C28 H44 Br16 Cu4 N8 -","2","0.5","","Lu, Hai Dong; Li, Hai Tao; Xin, Lianxin; Guo, Fang","Effect of stepwise protonation of an N-containing ligand on the formation of metal-organic salts and coordination complexes in the solid state","CrystEngComm","2020","","","","","10.1039/D0CE00093K","","","0.71073","MoKα","","0.0744","0.0662","","","0.1533","0.1578","","","","","","1.197","","","","has coordinates","249310","2020-10-21","18:00:00",""
"7240115","7.7044","0.0009","10.1649","0.0013","10.5702","0.0013","62.697","0.004","74.1","0.005","85.369","0.005","706.46","0.15","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H28 Br6 N4 O2 Zn2 -","- C16 H28 Br6 N4 O2 Zn2 -","- C16 H28 Br6 N4 O2 Zn2 -","1","0.5","","Lu, Hai Dong; Li, Hai Tao; Xin, Lianxin; Guo, Fang","Effect of stepwise protonation of an N-containing ligand on the formation of metal-organic salts and coordination complexes in the solid state","CrystEngComm","2020","","","","","10.1039/D0CE00093K","","","0.71073","MoKα","","0.1191","0.1129","","","0.2664","0.2697","","","","","","1.19","","","","has coordinates","249310","2020-10-21","18:00:00",""
"7240116","12.4886","0.0007","14.0071","0.0006","10.8593","0.0006","90","","114","0.006","90","","1735.38","0.18","287.86","0.1","287.86","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 N O11 Tb -","- C14 H16 N O11 Tb -","- C56 H64 N4 O44 Tb4 -","4","1","","Liu, Xinfang; Du, Liyong; Li, Rongfang; Ma, Ningning; You, Mengdi; Feng, Xun","Different Effect in the Selective Detection of Aniline and Fe3+ by Lanthanide-Based Coordination Polymers Containing Multiple Reactive Sites","CrystEngComm","2020","","","","","10.1039/D0CE00238K","","x-ray","0.71073","MoKα","","0.0407","0.0349","","","0.0772","0.0805","","","","","","1.048","","","","has coordinates","249311","2020-10-21","18:00:00",""
"7240117","12.4793","0.0008","13.8564","0.0006","10.7865","0.0006","90","","113.602","0.007","90","","1709.16","0.19","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 Eu N O11 -","- C14 H16 Eu N O11 -","- C56 H64 Eu4 N4 O44 -","4","1","","Liu, Xinfang; Du, Liyong; Li, Rongfang; Ma, Ningning; You, Mengdi; Feng, Xun","Different Effect in the Selective Detection of Aniline and Fe3+ by Lanthanide-Based Coordination Polymers Containing Multiple Reactive Sites","CrystEngComm","2020","","","","","10.1039/D0CE00238K","","x-ray","0.71073","MoKα","","0.0445","0.0409","","","0.0989","0.1024","","","","","","1.073","","","","has coordinates","249311","2020-10-21","18:00:00",""
"7240123","7.177","0.001","13.26","0.001","9.786","0.001","90","","100.09","0.01","90","","916.9","0.18","293","2","293","2","","","","","","","synthesis as described","3","P 1 21/n 1","-P 2yn","14","La(IO3)3.H2O","","","- I3 La O10 -","- I3 La O10 -","- I12 La4 O40 -","4","1","","Regny, Sylvain; Suffren, Yan; Leynaud, Olivier; Gautier-Luneau, Isabelle; Dantelle, Geraldine","Evidence of reaction intermediates in microwave-assisted synthesis of SHG active α La(IO3)3 nanocrystals","CrystEngComm","2020","","","","","10.1039/D0CE00156B","","x-ray","0.56087","AgKα","","0.0301","0.0239","","","0.0417","0.0436","","","","","","1.207","","","","has coordinates","249382","2020-10-21","18:00:00",""
"7240124","11.6301","0.0011","13.366","0.0012","15.5869","0.0013","98.161","0.001","101.089","0.002","101.148","0.002","2292.1","0.4","298","2","298","2","","","","","","","","8","P -1","-P 1","2","","","","- C40 H58 Ag3 N10 O46 P S6 W12 -","- C40 H58 Ag3 N10 O46 P S6 W12 -","- C40 H58 Ag3 N10 O46 P S6 W12 -","1","0.5","","Dou, Ming-Yu; Huang, Xianqiang; Yang, Guo-Yu","Two Inorganic-Organic Hybrid Silver-Polyoxometalates as Reusable Catalyst for One-Pot Synthesis of Propargylamines via Three-Component Coupling Reaction at Room Temperature","CrystEngComm","2020","","","","","10.1039/D0CE00042F","","","0.71073","MoKα","","0.1331","0.0815","","","0.2058","0.2284","","","","","","0.923","","","","has coordinates,has disorder","249383","2020-10-21","18:00:00",""
"7240125","14.108","0.0013","15.0509","0.0014","16.3421","0.0015","97.136","0.001","108.793","0.002","104.501","0.002","3099.9","0.5","298","2","298","2","","","","","","","","8","P -1","-P 1","2","","","","- C76 H112 Ag4 N20 O54 S10 Si W12 -","- C76 H112 Ag4 N20 O54 S10 Si W12 -","- C76 H112 Ag4 N20 O54 S10 Si W12 -","1","0.5","","Dou, Ming-Yu; Huang, Xianqiang; Yang, Guo-Yu","Two Inorganic-Organic Hybrid Silver-Polyoxometalates as Reusable Catalyst for One-Pot Synthesis of Propargylamines via Three-Component Coupling Reaction at Room Temperature","CrystEngComm","2020","","","","","10.1039/D0CE00042F","","","0.71073","MoKα","","0.1372","0.0789","","","0.1943","0.2223","","","","","","0.973","","","","has coordinates,has disorder","249383","2020-10-21","18:00:00",""
"7240129","10.1207","0.0004","10.7427","0.0005","27.9069","0.0012","99.871","0.004","90.774","0.004","117.159","0.005","2645","0.2","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C47 H89 N3 O13.5 V3 -","- C47 H89 N3 O13.5 V3 -","- C94 H178 N6 O27 V6 -","2","1","","Wang, Yu; Lin, Xinjun; Huang, Bo; Chen, Weizhou; Xiao, Zicheng; Wu, Pingfan","The crystal packing, morphology and hydrophobicity of polyoxometalate-based amphiphilic materials","CrystEngComm","2020","","","","","10.1039/D0CE00129E","","x-ray","0.71073","MoKα","","0.0768","0.0511","","","0.09","0.0995","","","","","","1.036","","","","has coordinates,has disorder","249394","2020-10-21","18:00:00",""
"7240130","21.392","0.0012","10.9779","0.0007","19.1098","0.0011","90","","105.252","0.002","90","","4329.7","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C74 H132 N6 O23 V6 -","- C74 H132 N6 O23 V6 -","- C148 H264 N12 O46 V12 -","2","0.5","","Wang, Yu; Lin, Xinjun; Huang, Bo; Chen, Weizhou; Xiao, Zicheng; Wu, Pingfan","The crystal packing, morphology and hydrophobicity of polyoxometalate-based amphiphilic materials","CrystEngComm","2020","","","","","10.1039/D0CE00129E","","","0.71073","MoKα","","0.2423","0.1347","","","0.2015","0.2445","","","","","","1.113","","","","has coordinates","249394","2020-10-21","18:00:00",""
"7240131","13.709","0.002","13.919","0.002","19.53","0.003","97.532","0.002","93.12","0.003","99.117","0.002","3637","0.9","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C124 H220 N8 O46 V12 -","- C124 H220 N8 O46 V12 -","- C124 H220 N8 O46 V12 -","1","0.5","","Wang, Yu; Lin, Xinjun; Huang, Bo; Chen, Weizhou; Xiao, Zicheng; Wu, Pingfan","The crystal packing, morphology and hydrophobicity of polyoxometalate-based amphiphilic materials","CrystEngComm","2020","","","","","10.1039/D0CE00129E","","","0.71073","MoKα","","0.1008","0.0627","","","0.1589","0.1881","","","","","","1.001","","","","has coordinates,has disorder","249394","2020-10-21","18:00:00",""
"7240132","15.3693","0.0012","15.3693","0.0012","10.1723","0.0008","90","","90","","90","","2402.9","0.3","173","2","173","2","","","","","","","","5","P 4/m","-P 4","83","","","","- C32 H40 B12 Cu N4 -","- C32.008 H30.008 B12 Cu N4 -","- C32.008 H30.008 B12 Cu N4 -","1","0.125","","Zhang, Yuanbin; Wang, Lingyao; Hu, Jianbo; Duttwyler, Simon; Cui, Xili; Xing, Huabin","Solvent dependant supramolecular self-assembly of boron cage pillared metal-organic frameworks for selective gas separation","CrystEngComm","2020","","","","","10.1039/D0CE00142B","","","0.71073","MoKα","","0.0529","0.0492","","","0.1479","0.1535","","","","","","1.102","","","","has coordinates,has disorder","249423","2020-10-21","18:00:00",""
"7240133","18.1416","0.0015","18.1416","0.0015","9.9851","0.0007","90","","90","","90","","3286.3","0.4","173","2","173","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C20 H16 B12 Cu N8 -","- C20 H16 B12 Cu N8 -","- C40 H32 B24 Cu2 N16 -","2","0.25","","Zhang, Yuanbin; Wang, Lingyao; Hu, Jianbo; Duttwyler, Simon; Cui, Xili; Xing, Huabin","Solvent dependant supramolecular self-assembly of boron cage pillared metal-organic frameworks for selective gas separation","CrystEngComm","2020","","","","","10.1039/D0CE00142B","","","0.71073","MoKα","","0.0971","0.0734","","","0.1931","0.2107","","","","","","0.983","","","","has coordinates,has disorder","249423","2020-10-21","18:00:00",""
"7240134","28.36","0.003","16.0571","0.0015","20.1217","0.0019","90","","134.052","0.004","90","","6585.5","1.2","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H28 B12 Cu N8 -","- C20 H28 B12 Cu N8 -","- C160 H224 B96 Cu8 N64 -","8","1","","Zhang, Yuanbin; Wang, Lingyao; Hu, Jianbo; Duttwyler, Simon; Cui, Xili; Xing, Huabin","Solvent dependant supramolecular self-assembly of boron cage pillared metal-organic frameworks for selective gas separation","CrystEngComm","2020","","","","","10.1039/D0CE00142B","","","1.34139","GaKα","","0.15","0.1116","","","0.291","0.3138","","","","","","1.078","","","","has coordinates","249423","2020-10-21","18:00:00",""
"7240135","13.6129","0.0006","13.6129","0.0006","10.061","0.0006","90","","90","","90","","1864.41","0.16","253","2","253","2","","","","","","","","5","P 4/m","-P 4","83","","","","- C6 H7 B3 Cu0.25 N -","- C6 H7 B3 Cu0.25 N -","- C24 H28 B12 Cu N4 -","4","0.5","","Zhang, Yuanbin; Wang, Lingyao; Hu, Jianbo; Duttwyler, Simon; Cui, Xili; Xing, Huabin","Solvent dependant supramolecular self-assembly of boron cage pillared metal-organic frameworks for selective gas separation","CrystEngComm","2020","","","","","10.1039/D0CE00142B","","","1.34139","GaKα","","0.0477","0.0467","","","0.1596","0.1607","","","","","","1.013","","","","has coordinates,has disorder","249423","2020-10-21","18:00:00",""
"7240136","15.6766","0.001","15.6766","0.001","20.1231","0.0016","90","","90","","90","","4945.4","0.6","193","2","193","2","","","","","","","","5","I 4/m c m","-I 4 2c","140","","","","- C20 H28 B12 Cu N4 -","- C20 H28.0008 B12.0008 Cu N4 -","- C80 H112.003 B48.0032 Cu4 N16 -","4","0.125","","Zhang, Yuanbin; Wang, Lingyao; Hu, Jianbo; Duttwyler, Simon; Cui, Xili; Xing, Huabin","Solvent dependant supramolecular self-assembly of boron cage pillared metal-organic frameworks for selective gas separation","CrystEngComm","2020","","","","","10.1039/D0CE00142B","","","1.34139","GaKα","","0.0603","0.0492","","","0.1513","0.1597","","","","","","0.988","","","","has coordinates,has disorder","249423","2020-10-21","18:00:00",""
"7240137","10.3833","0.0006","6.9029","0.0004","20.2517","0.0012","90","","91.255","0.003","90","","1451.19","0.15","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1-Naphthalene acetic acid + 2-aminopyrimidine","1-Naphthalene acetic acid + 2-aminopyrimidine","","- C16 H15 N3 O2 -","- C16 H15 N3 O2 -","- C64 H60 N12 O8 -","4","1","","GARG, UTSAV; Azim , Yasser; Kar, Aranya; Pradeep, Chullikkattil P.","Cocrystals/salt of 1-naphthalene acetic acid and utilizing Hirshfeld surface calculations for acid-aminopyrimidine synthon","CrystEngComm","2020","","","","","10.1039/D0CE00106F","","","1.54178","CuKα","","0.128","0.082","","","0.1882","0.2078","","","","","","1.192","","","","has coordinates","249424","2020-10-21","18:00:00",""
"7240138","11.7424","0.0009","11.8549","0.0008","12.719","0.0007","104.86","0.005","93.046","0.006","112.269","0.007","1561.2","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","1-Naphthalene acetic acid + 2,4,6-triaminopyrimidine","1-Naphthalene acetic acid + 2,4,6-triaminopyrimidine","","- C16 H17 N5 O2 -","- C16 H17 N5 O2 -","- C64 H68 N20 O8 -","4","2","","GARG, UTSAV; Azim , Yasser; Kar, Aranya; Pradeep, Chullikkattil P.","Cocrystals/salt of 1-naphthalene acetic acid and utilizing Hirshfeld surface calculations for acid-aminopyrimidine synthon","CrystEngComm","2020","","","","","10.1039/D0CE00106F","","","1.54184","CuKα","","0.0907","0.0606","","","0.1636","0.1849","","","","","","1.049","","","","has coordinates","249424","2020-10-21","18:00:00",""
"7240139","7.4504","0.0003","12.4728","0.0005","28.0306","0.001","90","","95.076","0.004","90","","2594.59","0.17","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1-Naphthalene acetic acid + 2-amino-4,6-dimethylpyrimidine","1-Naphthalene acetic acid + 2-amino-4,6-dimethylpyrimidine","","- C30 H29 N3 O4 -","- C30 H29 N3 O4 -","- C120 H116 N12 O16 -","4","1","","GARG, UTSAV; Azim , Yasser; Kar, Aranya; Pradeep, Chullikkattil P.","Cocrystals/salt of 1-naphthalene acetic acid and utilizing Hirshfeld surface calculations for acid-aminopyrimidine synthon","CrystEngComm","2020","","","","","10.1039/D0CE00106F","","","1.54184","CuKα","","0.0791","0.0551","","","0.1544","0.1681","","","","","","1.061","","","","has coordinates","249424","2020-10-21","18:00:00",""
"7240140","10.3833","0.0006","6.9029","0.0004","20.2517","0.0012","90","","91.255","0.003","90","","1451.19","0.15","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1-Naphthalene acetic acid + 2-aminopyrimidine","1-Naphthalene acetic acid + 2-aminopyrimidine","","- C16 H15 N3 O2 -","- C16 H15 N3 O2 -","- C64 H60 N12 O8 -","4","1","","Hong, Yuexian; Yufit, Dimitrii S.; Letzelter, Nathalie; Steed, Jonathan W.","Calcium Cyclic Carboxylates as Structural Models for Calcium Carbonate Scale Inhibitors","CrystEngComm","2020","","","","","10.1039/D0CE00243G","","","1.54178","CuKα","","0.128","0.082","","","0.1882","0.2078","","","","","","1.192","","","","has coordinates","249425","2020-10-21","18:00:00",""
"7240141","11.7424","0.0009","11.8549","0.0008","12.719","0.0007","104.86","0.005","93.046","0.006","112.269","0.007","1561.2","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","1-Naphthalene acetic acid + 2,4,6-triaminopyrimidine","1-Naphthalene acetic acid + 2,4,6-triaminopyrimidine","","- C16 H17 N5 O2 -","- C16 H17 N5 O2 -","- C64 H68 N20 O8 -","4","2","","Hong, Yuexian; Yufit, Dimitrii S.; Letzelter, Nathalie; Steed, Jonathan W.","Calcium Cyclic Carboxylates as Structural Models for Calcium Carbonate Scale Inhibitors","CrystEngComm","2020","","","","","10.1039/D0CE00243G","","","1.54184","CuKα","","0.0907","0.0606","","","0.1636","0.1849","","","","","","1.049","","","","has coordinates","249425","2020-10-21","18:00:00",""
"7240142","7.4504","0.0003","12.4728","0.0005","28.0306","0.001","90","","95.076","0.004","90","","2594.59","0.17","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1-Naphthalene acetic acid + 2-amino-4,6-dimethylpyrimidine","1-Naphthalene acetic acid + 2-amino-4,6-dimethylpyrimidine","","- C30 H29 N3 O4 -","- C30 H29 N3 O4 -","- C120 H116 N12 O16 -","4","1","","Hong, Yuexian; Yufit, Dimitrii S.; Letzelter, Nathalie; Steed, Jonathan W.","Calcium Cyclic Carboxylates as Structural Models for Calcium Carbonate Scale Inhibitors","CrystEngComm","2020","","","","","10.1039/D0CE00243G","","","1.54184","CuKα","","0.0791","0.0551","","","0.1544","0.1681","","","","","","1.061","","","","has coordinates","249425","2020-10-21","18:00:00",""
"7240145","18.753","0.002","17.8461","0.0013","15.4856","0.0015","90","","115.938","0.013","90","","4660.5","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H76 Cu2 Fe N14 O10 -","- C26 H76 Cu2 Fe N14 O10 -","- C104 H304 Cu8 Fe4 N56 O40 -","4","0.5","","Hao, Xiaoyun; Shi, Jingwen; Dou, Yong; Cao, Tong; Zhou, Zhen; Yang, Lu; Li, Dacheng; Liu, Qingyun; Jiang, Jianzhuang; Zhang, Daopeng","Heterobimetallic complexes from 0D cluster to 3D network based-on various polycyanometallates and [Cu(dmpn)2]2+(dmpn = 2,2-dimethyl-1,3-diaminopropane): synthesis, crystal structures and magnetic properties","CrystEngComm","2020","","","","","10.1039/D0CE00235F","","","0.71073","MoKα","","0.1008","0.0739","","","0.2057","0.2333","","","","","","1.051","","","","has coordinates","249597","2020-10-21","18:00:00",""
"7240146","11.7106","0.0014","14.7097","0.0015","16.8351","0.0019","101.737","0.009","110.012","0.011","104.303","0.01","2504.9","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C33.5 H47.5 Cu Fe N12.5 O3 -","- C33.5 H47 Cu Fe N12.5 O3 -","- C67 H94 Cu2 Fe2 N25 O6 -","2","1","","Hao, Xiaoyun; Shi, Jingwen; Dou, Yong; Cao, Tong; Zhou, Zhen; Yang, Lu; Li, Dacheng; Liu, Qingyun; Jiang, Jianzhuang; Zhang, Daopeng","Heterobimetallic complexes from 0D cluster to 3D network based-on various polycyanometallates and [Cu(dmpn)2]2+(dmpn = 2,2-dimethyl-1,3-diaminopropane): synthesis, crystal structures and magnetic properties","CrystEngComm","2020","","","","","10.1039/D0CE00235F","","","0.71073","MoKα","","0.1334","0.0857","","","0.2593","0.3082","","","","","","0.959","","","","has coordinates","249597","2020-10-21","18:00:00",""
"7240147","9.4783","0.0013","16.388","0.003","16.592","0.002","111.53","0.014","101.926","0.012","106.101","0.013","2161.9","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H63 Cu2 Mo N17 O2 -","- C30 H63 Cu2 Mo N17 O2 -","- C60 H126 Cu4 Mo2 N34 O4 -","2","1","","Hao, Xiaoyun; Shi, Jingwen; Dou, Yong; Cao, Tong; Zhou, Zhen; Yang, Lu; Li, Dacheng; Liu, Qingyun; Jiang, Jianzhuang; Zhang, Daopeng","Heterobimetallic complexes from 0D cluster to 3D network based-on various polycyanometallates and [Cu(dmpn)2]2+(dmpn = 2,2-dimethyl-1,3-diaminopropane): synthesis, crystal structures and magnetic properties","CrystEngComm","2020","","","","","10.1039/D0CE00235F","","","0.71073","MoKα","","0.0667","0.047","","","0.0987","0.1089","","","","","","1.025","","","","has coordinates,has disorder","249597","2020-10-21","18:00:00",""
"7240148","9.1335","0.0014","13.1615","0.0008","16.0651","0.0019","109.386","0.008","99.006","0.011","98.3","0.009","1758.8","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H48 Cr Cu1.5 N12 O4 -","- C20 H48 Cr Cu1.5 N12 O4 -","- C40 H96 Cr2 Cu3 N24 O8 -","2","1","","Hao, Xiaoyun; Shi, Jingwen; Dou, Yong; Cao, Tong; Zhou, Zhen; Yang, Lu; Li, Dacheng; Liu, Qingyun; Jiang, Jianzhuang; Zhang, Daopeng","Heterobimetallic complexes from 0D cluster to 3D network based-on various polycyanometallates and [Cu(dmpn)2]2+(dmpn = 2,2-dimethyl-1,3-diaminopropane): synthesis, crystal structures and magnetic properties","CrystEngComm","2020","","","","","10.1039/D0CE00235F","","","0.71073","MoKα","","0.0954","0.0743","","","0.2146","0.239","","","","","","1.058","","","","has coordinates","249597","2020-10-21","18:00:00",""
"7240149","9.4179","0.0004","16.2543","0.0009","16.2716","0.0008","110.907","0.005","101.897","0.004","106.357","0.004","2098","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H63 Cu2 N17 O2 W -","- C30 H63 Cu2 N17 O2 W -","- C60 H126 Cu4 N34 O4 W2 -","2","1","","Hao, Xiaoyun; Shi, Jingwen; Dou, Yong; Cao, Tong; Zhou, Zhen; Yang, Lu; Li, Dacheng; Liu, Qingyun; Jiang, Jianzhuang; Zhang, Daopeng","Heterobimetallic complexes from 0D cluster to 3D network based-on various polycyanometallates and [Cu(dmpn)2]2+(dmpn = 2,2-dimethyl-1,3-diaminopropane): synthesis, crystal structures and magnetic properties","CrystEngComm","2020","","","","","10.1039/D0CE00235F","","","1.54178","CuKα","","0.0356","0.0333","","","0.0867","0.0891","","","","","","1.055","","","","has coordinates,has disorder","249597","2020-10-21","18:00:00",""
"7240150","12.6416","0.001","14.7984","0.0014","38.007","0.003","90","","90.598","0.006","90","","7109.8","1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C60 H84 Cl2 Cu2 Fe2 N20 O14 -","- C60 H84 Cl2 Cu2 Fe2 N20 O14 -","- C240 H336 Cl8 Cu8 Fe8 N80 O56 -","4","1","","Hao, Xiaoyun; Shi, Jingwen; Dou, Yong; Cao, Tong; Zhou, Zhen; Yang, Lu; Li, Dacheng; Liu, Qingyun; Jiang, Jianzhuang; Zhang, Daopeng","Heterobimetallic complexes from 0D cluster to 3D network based-on various polycyanometallates and [Cu(dmpn)2]2+(dmpn = 2,2-dimethyl-1,3-diaminopropane): synthesis, crystal structures and magnetic properties","CrystEngComm","2020","","","","","10.1039/D0CE00235F","","","0.71073","MoKα","","0.1574","0.0918","","","0.2141","0.267","","","","","","1.03","","","","has coordinates","249597","2020-10-21","18:00:00",""
"7240151","7.02521","0.00013","19.6681","0.0004","12.9331","0.0002","90","","90.7338","0.0007","90","","1786.85","0.06","173","2","173","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","Ciprofloxacin Hydrochloride 1.43 Hydrate","Ciprofloxacin Hydrochloride 1.43 Hydrate","","- C17 H21.86 Cl F N3 O4.43 -","- C17 H21.86 Cl F N3 O4.43 -","- C68 H87.44 Cl4 F4 N12 O17.72 -","4","1","","Putra, Okky Dwichandra; Pettersen, Anna; Yonemochi, Etsuo; Uekusa, Hidehiro","Structural Origin of Physicochemical Properties Differences upon Dehydration and Polymorphic Transformation of Ciprofloxacin Hydrochloride Revealed by Structure Determination from Powder X-ray Diffraction Data","CrystEngComm","2020","","","","","10.1039/D0CE00261E","","","1.54186","CuKα","","0.0413","0.0388","","","0.104","0.1068","","","","","","1.09","","","","has coordinates","249598","2020-10-21","18:00:00",""
"7240152","12.4523","0.0002","6.91819","0.00013","19.4137","0.0004","90","","101.294","0.0009","90","","1640.05","0.05","173","2","173","2","","","101.3","","","","","6","P 1 21/c 1","-P 2ybc","14","Ciprofloxacin Hydrochloride Anhydrous Form II","Ciprofloxacin Hydrochloride Anhydrous Form II","","- C17 H19 Cl F N3 O3 -","- C17 H19 Cl F N3 O3 -","- C68 H76 Cl4 F4 N12 O12 -","4","1","","Putra, Okky Dwichandra; Pettersen, Anna; Yonemochi, Etsuo; Uekusa, Hidehiro","Structural Origin of Physicochemical Properties Differences upon Dehydration and Polymorphic Transformation of Ciprofloxacin Hydrochloride Revealed by Structure Determination from Powder X-ray Diffraction Data","CrystEngComm","2020","","","","","10.1039/D0CE00261E","","x-ray","1.54186","CuKα","","0.0624","0.0497","","","0.1284","0.1396","","","","","","1.141","","","","has coordinates","249598","2020-10-21","18:00:00",""
"7240153","18.1041","0.0006","7.3009","0.00017","26.2525","0.001","90","","90","","90","","3469.96","0.19","298","","298","","","","101.3","","","","","6","P b c a","-P 2ac 2ab","61","Ciprfloxacin Hydrochloride Anhydrous Form I","Ciprfloxacin Hydrochloride Anhydrous Form I","","- C17 H19 Cl F N3 O3 -","- C17 H19 Cl F N3 O3 -","- C136 H152 Cl8 F8 N24 O24 -","8","1","","Putra, Okky Dwichandra; Pettersen, Anna; Yonemochi, Etsuo; Uekusa, Hidehiro","Structural Origin of Physicochemical Properties Differences upon Dehydration and Polymorphic Transformation of Ciprofloxacin Hydrochloride Revealed by Structure Determination from Powder X-ray Diffraction Data","CrystEngComm","2020","","","","","10.1039/D0CE00261E","powder diffraction","x-ray","1.19621","synchrotron","","","","","","","","0.08626","","1.74","","","","","","","has coordinates","249598","2020-10-21","18:00:00",""
"7240156","21.778","0.005","15.214","0.003","19.916","0.005","90","","103.5","0.004","90","","6416","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H24 Co N6 O6 -","- C33 H24 Co N6 O6 -","- C264 H192 Co8 N48 O48 -","8","1","","Qiu, Ya-Ru; Li, Bang; Zhou, Yan; Su, Jian; Ge, Jing-Yuan","Pillar-template strategy switching the redox activity and magnetic properties of trisphenylamine-based coordination polymers","CrystEngComm","2020","","","","","10.1039/D0CE00256A","","","0.71073","MoKα","","0.1025","0.0627","","","0.1835","0.2216","","","","","","1.069","","","","has coordinates,has disorder","249644","2020-10-21","18:00:00",""
"7240157","21.683","0.003","15.164","0.003","19.852","0.003","90","","102.807","0.004","90","","6365","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H24 N6 Ni O6 -","- C33 H24 N6 Ni O6 -","- C264 H192 N48 Ni8 O48 -","8","1","","Qiu, Ya-Ru; Li, Bang; Zhou, Yan; Su, Jian; Ge, Jing-Yuan","Pillar-template strategy switching the redox activity and magnetic properties of trisphenylamine-based coordination polymers","CrystEngComm","2020","","","","","10.1039/D0CE00256A","","","0.71073","MoKα","","0.0727","0.0513","","","0.1501","0.1619","","","","","","1.014","","","","has coordinates,has disorder","249644","2020-10-21","18:00:00",""
"7240158","21.622","0.002","15.2587","0.0017","19.882","0.002","90","","104.271","0.002","90","","6357.1","1.1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H24 N6 O6 Zn -","- C33 H24 N6 O6 Zn -","- C264 H192 N48 O48 Zn8 -","8","1","","Qiu, Ya-Ru; Li, Bang; Zhou, Yan; Su, Jian; Ge, Jing-Yuan","Pillar-template strategy switching the redox activity and magnetic properties of trisphenylamine-based coordination polymers","CrystEngComm","2020","","","","","10.1039/D0CE00256A","","","0.71073","MoKα","","0.0923","0.0685","","","0.2126","0.2403","","","","","","0.833","","","","has coordinates,has disorder","249644","2020-10-21","18:00:00",""
"7240159","22.2681","0.0009","14.5955","0.0006","20.1069","0.0008","90","","101.719","0.002","90","","6398.8","0.5","193","2","193","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H30 Cl Co N4 O3 -","- C38 H30 Cl Co N4 O3 -","- C304 H240 Cl8 Co8 N32 O24 -","8","1","","Qiu, Ya-Ru; Li, Bang; Zhou, Yan; Su, Jian; Ge, Jing-Yuan","Pillar-template strategy switching the redox activity and magnetic properties of trisphenylamine-based coordination polymers","CrystEngComm","2020","","","","","10.1039/D0CE00256A","","","1.34139","GaKα","","0.0541","0.0438","","","0.1144","0.1216","","","","","","1.046","","","","has coordinates","249644","2020-10-21","18:00:00",""
"7240168","8.5063","0.0001","25.6914","0.0004","24.6665","0.0003","90","","96.623","0.001","90","","5354.61","0.12","150","0.1","150","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H57 Br3 F18 N3 O3 P3 -","- C42 H57 Br3 F18 N3 O3 P3 -","- C168 H228 Br12 F72 N12 O12 P12 -","4","1","","Foyle, Émer M.; White, Nicholas G.","Anion templated crystal engineering of halogen bonding tripodal tris(halopyridinium) compounds","CrystEngComm","2020","","","","","10.1039/D0CE00241K","","x-ray","1.54184","CuKα","","0.1054","0.0971","","","0.2696","0.2784","","","","","","1.053","","","","has coordinates,has disorder","249689","2020-10-21","18:00:00",""
"7240169","16.8999","0.0001","16.8999","0.0001","10.9253","0.0001","90","","90","","120","","2702.29","0.03","150","","150","","","","","","","","synthesized","5","P -3","-P 3","147","","","","- C44 H60 I6 N4 O3 -","- C44 H60 I6 N4 O3 -","- C88 H120 I12 N8 O6 -","2","0.333333","","Foyle, Émer M.; White, Nicholas G.","Anion templated crystal engineering of halogen bonding tripodal tris(halopyridinium) compounds","CrystEngComm","2020","","","","","10.1039/D0CE00241K","","","1.54184","CuKα","","0.0565","0.0555","","0.1516","0.1507","0.1516","","","","","","1.1564","","","","has coordinates","249689","2020-10-21","18:00:00",""
"7240170","16.5773","0.0001","16.5773","0.0001","10.4913","0.0001","90","","90","","120","","2496.82","0.03","150","0.1","150","0.1","","","","","","","","5","P -3","-P 3","147","","","","- C44 H60 Br6 N4 O3 -","- C44 H59.9997 Br6 N4 O3 -","- C88 H119.999 Br12 N8 O6 -","2","0.333333","","Foyle, Émer M.; White, Nicholas G.","Anion templated crystal engineering of halogen bonding tripodal tris(halopyridinium) compounds","CrystEngComm","2020","","","","","10.1039/D0CE00241K","","x-ray","1.54184","CuKα","","0.0431","0.0406","","","0.1358","0.139","","","","","","1.192","","","","has coordinates,has disorder","249689","2020-10-21","18:00:00",""
"7240171","16.639","0.002","16.639","0.002","10.57","0.002","90","","90","","120","","2534.3","0.6","100","","100","","","","","","","","","6","P -3","-P 3","147","","","","- C44 H60 Br3 I3 N4 O3 -","- C44 H60 Br3 I3 N4 O3 -","- C88 H120 Br6 I6 N8 O6 -","2","0.333333","","Foyle, Émer M.; White, Nicholas G.","Anion templated crystal engineering of halogen bonding tripodal tris(halopyridinium) compounds","CrystEngComm","2020","","","","","10.1039/D0CE00241K","","","0.71073","Synchrotron","","0.0441","0.0427","","","0.1059","0.107","","","","","","1.0414","","","","has coordinates,has disorder","249689","2020-10-21","18:00:00",""
"7240172","8.544","0.0001","23.43","0.0002","27.3585","0.0003","90","","97.054","0.001","90","","5435.33","0.1","150","0.1","150","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C43 H61 Cl F12 I3 N3 O4 P2 -","- C43 H61 Cl F12 I3 N3 O4 P2 -","- C172 H244 Cl4 F48 I12 N12 O16 P8 -","4","1","","Foyle, Émer M.; White, Nicholas G.","Anion templated crystal engineering of halogen bonding tripodal tris(halopyridinium) compounds","CrystEngComm","2020","","","","","10.1039/D0CE00241K","","x-ray","1.54184","CuKα","","0.064","0.0598","","","0.1599","0.1649","","","","","","1.03","","","","has coordinates","249689","2020-10-21","18:00:00",""
"7240173","24.671","0.005","8.876","0.0018","23.946","0.005","90","","101.26","0.03","90","","5142.8","1.9","100","","100","","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","","","- C42 H57 Br1.5 F9 I3 N3 O3 P1.5 -","- C42 H57 Br1.5 F9 I3 N3 O3 P1.5 -","- C168 H228 Br6 F36 I12 N12 O12 P6 -","4","1","","Foyle, Émer M.; White, Nicholas G.","Anion templated crystal engineering of halogen bonding tripodal tris(halopyridinium) compounds","CrystEngComm","2020","","","","","10.1039/D0CE00241K","","","0.71073","Synchrotron","","0.1829","0.0812","","","0.2165","0.2833","","","","","","1.0269","","","","has coordinates","249689","2020-10-21","18:00:00",""
"7240174","14.104","0.005","25.266","0.009","14.735","0.004","90","","115.28","0.019","90","","4748","3","100","","100","","","","","","","","synthesized","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H61 Br3 Cl3 N3 O5 -","- C42 H61 Br3 Cl3 N3 O5 -","- C168 H244 Br12 Cl12 N12 O20 -","4","1","","Foyle, Émer M.; White, Nicholas G.","Anion templated crystal engineering of halogen bonding tripodal tris(halopyridinium) compounds","CrystEngComm","2020","","","","","10.1039/D0CE00241K","","","0.71073","Synchrotron","","0.2214","0.126","","0.2648","0.2148","0.2513","","","","","","1.021","","","","has coordinates,has disorder","249689","2020-10-21","18:00:00",""
"7240175","14.822","0.003","20.352","0.004","17.306","0.004","90","","112.82","0.03","90","","4812","2","100","","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H57 Br3 I3 N3 O3 -","- C42 H57 Br3 I3 N3 O3 -","- C168 H228 Br12 I12 N12 O12 -","4","1","","Foyle, Émer M.; White, Nicholas G.","Anion templated crystal engineering of halogen bonding tripodal tris(halopyridinium) compounds","CrystEngComm","2020","","","","","10.1039/D0CE00241K","","","0.71073","MoKα","","0.0595","0.0513","","","0.1392","0.1451","","","","","","1.0291","","","","has coordinates","249689","2020-10-21","18:00:00",""
"7240176","12.04747","0.00016","12.04747","0.00016","12.04747","0.00016","90","","90","","90","","1748.59","0.04","298","2","298","2","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C4.5 H9.5 Fe N0.75 O6.25 -","- C4.5 H9.5001 Fe N0.75 O6.25005 -","- C36 H76.0008 Fe8 N6 O50.0004 -","8","0.166667","","Collings, Ines; Saines, Paul James; Mikolasek, Mirko; Boffa Ballaran, Tiziana; Hanfland, Michael","Static disorder in a perovskite mixed-valence metal‒organic framework","CrystEngComm","2020","","","","","10.1039/D0CE00119H","","","0.71073","MoKα","","0.05","0.0373","","","0.1001","0.1066","","","","","","1.104","","","","has coordinates,has disorder","249690","2020-10-21","18:00:00",""
"7240177","12.0219","0.0008","12.0219","0.0008","12.0219","0.0008","90","","90","","90","","1737.5","0.2","240","0.4","240","0.4","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C4.5 H9.5 Fe N0.75 O6.25 -","- C4.5 H3.5001 Fe N0.75 O6.25005 -","- C36 H28.0008 Fe8 N6 O50.0004 -","8","0.166667","","Collings, Ines; Saines, Paul James; Mikolasek, Mirko; Boffa Ballaran, Tiziana; Hanfland, Michael","Static disorder in a perovskite mixed-valence metal‒organic framework","CrystEngComm","2020","","","","","10.1039/D0CE00119H","","","0.71073","MoKα","","0.0429","0.0361","","","0.0895","0.0961","","","","","","1.078","","","","has coordinates","249690","2020-10-21","18:00:00",""
"7240178","11.9923","0.0003","11.9923","0.0003","11.9923","0.0003","90","","90","","90","","1724.68","0.07","80","0.9","80","0.9","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C4.5 H9.5 Fe N0.75 O6.25 -","- C4.5 H3.5001 Fe N0.75 O6.25005 -","- C36 H28.0008 Fe8 N6 O50.0004 -","8","0.166667","","Collings, Ines; Saines, Paul James; Mikolasek, Mirko; Boffa Ballaran, Tiziana; Hanfland, Michael","Static disorder in a perovskite mixed-valence metal‒organic framework","CrystEngComm","2020","","","","","10.1039/D0CE00119H","","","0.71073","MoKα","","0.0499","0.0437","","","0.1029","0.1051","","","","","","1.234","","","","has coordinates","249690","2020-10-21","18:00:00",""
"7240179","12.0296","0.0007","12.0296","0.0007","12.0296","0.0007","90","","90","","90","","1740.82","0.18","260","0.6","260","0.6","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C4.5 H9.5 Fe N0.75 O6.25 -","- C4.5 H3.5001 Fe N0.75 O6.25005 -","- C36 H28.0008 Fe8 N6 O50.0004 -","8","0.166667","","Collings, Ines; Saines, Paul James; Mikolasek, Mirko; Boffa Ballaran, Tiziana; Hanfland, Michael","Static disorder in a perovskite mixed-valence metal‒organic framework","CrystEngComm","2020","","","","","10.1039/D0CE00119H","","","0.71073","MoKα","","0.046","0.0382","","","0.0953","0.104","","","","","","1.161","","","","has coordinates","249690","2020-10-21","18:00:00",""
"7240180","12.0082","0.0007","12.0082","0.0007","12.0082","0.0007","90","","90","","90","","1731.54","0.17","180","0.3","180","0.3","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C4.5 H9.5 Fe N0.75 O6.25 -","- C4.5 H3.5001 Fe N0.75 O6.25005 -","- C36 H28.0008 Fe8 N6 O50.0004 -","8","0.166667","","Collings, Ines; Saines, Paul James; Mikolasek, Mirko; Boffa Ballaran, Tiziana; Hanfland, Michael","Static disorder in a perovskite mixed-valence metal‒organic framework","CrystEngComm","2020","","","","","10.1039/D0CE00119H","","","0.71073","MoKα","","0.0413","0.0348","","","0.0849","0.0883","","","","","","1.215","","","","has coordinates","249690","2020-10-21","18:00:00",""
"7240181","12.0051","0.0006","12.0051","0.0006","12.0051","0.0006","90","","90","","90","","1730.2","0.15","160","0.3","160","0.3","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C4.5 H9.5 Fe N0.75 O6.25 -","- C4.5 H3.5001 Fe N0.75 O6.25005 -","- C36 H28.0008 Fe8 N6 O50.0004 -","8","0.166667","","Collings, Ines; Saines, Paul James; Mikolasek, Mirko; Boffa Ballaran, Tiziana; Hanfland, Michael","Static disorder in a perovskite mixed-valence metal‒organic framework","CrystEngComm","2020","","","","","10.1039/D0CE00119H","","","0.71073","MoKα","","0.0432","0.0368","","","0.092","0.0977","","","","","","1.238","","","","has coordinates","249690","2020-10-21","18:00:00",""
"7240182","12.035","0.0006","12.035","0.0006","12.035","0.0006","90","","90","","90","","1743.16","0.15","300","0.7","300","0.7","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C4.5 H9.5 Fe N0.75 O6.25 -","- C4.5 H3.5001 Fe N0.75 O6.25005 -","- C36 H28.0008 Fe8 N6 O50.0004 -","8","0.166667","","Collings, Ines; Saines, Paul James; Mikolasek, Mirko; Boffa Ballaran, Tiziana; Hanfland, Michael","Static disorder in a perovskite mixed-valence metal‒organic framework","CrystEngComm","2020","","","","","10.1039/D0CE00119H","","","0.71073","MoKα","","0.0744","0.0567","","","0.1784","0.2185","","","","","","1.177","","","","has coordinates","249690","2020-10-21","18:00:00",""
"7240183","12.0077","0.0003","12.0077","0.0003","12.0077","0.0003","90","","90","","90","","1731.33","0.07","200","0.4","200","0.4","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C4.5 H9.5 Fe N0.75 O6.25 -","- C4.5 H3.5001 Fe N0.75 O6.25005 -","- C36 H28.0008 Fe8 N6 O50.0004 -","8","0.166667","","Collings, Ines; Saines, Paul James; Mikolasek, Mirko; Boffa Ballaran, Tiziana; Hanfland, Michael","Static disorder in a perovskite mixed-valence metal‒organic framework","CrystEngComm","2020","","","","","10.1039/D0CE00119H","","","0.71073","MoKα","","0.0358","0.0335","","","0.0844","0.0855","","","","","","1.205","","","","has coordinates","249690","2020-10-21","18:00:00",""
"7240184","11.9986","0.0007","11.9986","0.0007","11.9986","0.0007","90","","90","","90","","1727.4","0.17","120","0.3","120","0.3","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C4.5 H9.5 Fe N0.75 O6.25 -","- C4.5 H3.5001 Fe N0.75 O6.25005 -","- C36 H28.0008 Fe8 N6 O50.0004 -","8","0.166667","","Collings, Ines; Saines, Paul James; Mikolasek, Mirko; Boffa Ballaran, Tiziana; Hanfland, Michael","Static disorder in a perovskite mixed-valence metal‒organic framework","CrystEngComm","2020","","","","","10.1039/D0CE00119H","","","0.71073","MoKα","","0.0441","0.0366","","","0.086","0.0917","","","","","","1.231","","","","has coordinates","249690","2020-10-21","18:00:00",""
"7240185","12.0121","0.0009","12.0121","0.0009","12.0121","0.0009","90","","90","","90","","1733.2","0.2","220","0.4","220","0.4","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C4.5 H9.5 Fe N0.75 O6.25 -","- C4.5 H3.5001 Fe N0.75 O6.25005 -","- C36 H28.0008 Fe8 N6 O50.0004 -","8","0.166667","","Collings, Ines; Saines, Paul James; Mikolasek, Mirko; Boffa Ballaran, Tiziana; Hanfland, Michael","Static disorder in a perovskite mixed-valence metal‒organic framework","CrystEngComm","2020","","","","","10.1039/D0CE00119H","","","0.71073","MoKα","","0.0416","0.0358","","","0.0891","0.0933","","","","","","1.106","","","","has coordinates","249690","2020-10-21","18:00:00",""
"7240186","12.0016","0.0007","12.0016","0.0007","12.0016","0.0007","90","","90","","90","","1728.69","0.17","140","0.3","140","0.3","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C4.5 H9.5 Fe N0.75 O6.25 -","- C4.5 H3.5001 Fe N0.75 O6.25005 -","- C36 H28.0008 Fe8 N6 O50.0004 -","8","0.166667","","Collings, Ines; Saines, Paul James; Mikolasek, Mirko; Boffa Ballaran, Tiziana; Hanfland, Michael","Static disorder in a perovskite mixed-valence metal‒organic framework","CrystEngComm","2020","","","","","10.1039/D0CE00119H","","","0.71073","MoKα","","0.0422","0.0367","","","0.086","0.0893","","","","","","1.183","","","","has coordinates","249690","2020-10-21","18:00:00",""
"7240193","5.7544","0.0009","5.7537","0.0005","12.7881","0.0011","90","","89.93","0.03","90","","423.4","0.08","298.15","","298.15","","","","","","","","mechanochemical synthesis","5","C 1 2 1","C 2y","5","'strontium fluorine acetate","","strontium fluorine acetate","- C4 H6 F O4 Sr2 -","- C4 H6 F O4 Sr2 -","- C8 H12 F2 O8 Sr4 -","2","0.5","","Zänker, Steffen; Scholz, Gudrun; Heise, Macel; Emmerling, Franziska; Kemnitz, Erhard","New 2D networks with direct fluorine-metal bonds: MF(CH3COO) (M: Sr, Ba, Pb)","CrystEngComm","2020","","","","","10.1039/D0CE00287A","powder diffraction","x-ray","1.5406","CuKα1Kα2","","","","","","","","","1.656","12.562","","","","","","","has coordinates","249717","2020-10-21","18:00:00",""
"7240194","12.757","0.002","4.129","0.0008","4.1284","0.0009","90","","90.058","0.016","90","","217.46","0.07","303","","303","","","","","","","","mechanochemical synthesis","5","P 1 21 1","P 2yb","4","lead fluorine acetate","","lead fluorine acetate","- C2 H3 F O2 Pb -","- C2 H3 F O2 Pb -","- C4 H6 F2 O4 Pb2 -","2","1","","Zänker, Steffen; Scholz, Gudrun; Heise, Macel; Emmerling, Franziska; Kemnitz, Erhard","New 2D networks with direct fluorine-metal bonds: MF(CH3COO) (M: Sr, Ba, Pb)","CrystEngComm","2020","","","","","10.1039/D0CE00287A","powder diffraction","x-ray","1.5406","CuKα1","","","","","","","","","2.6","3.35","","","","","","","has coordinates","249717","2020-10-21","18:00:00",""
"7240195","6.0948","0.0003","6.0953","0.0003","12.937","0.0006","90","","89.996","0.003","90","","480.6","0.04","298","","298","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C4 H6 Ba2 F O4 -","- C4 H6 Ba2 F O4 -","- C8 H12 Ba4 F2 O8 -","2","0.5","","Zänker, Steffen; Scholz, Gudrun; Heise, Macel; Emmerling, Franziska; Kemnitz, Erhard","New 2D networks with direct fluorine-metal bonds: MF(CH3COO) (M: Sr, Ba, Pb)","CrystEngComm","2020","","","","","10.1039/D0CE00287A","powder diffraction","x-ray","1.5406","CuKα1","","","","","","","","","0.0414","3.68277","","","","","","","has coordinates","249717","2020-10-21","18:00:00",""
"7240196","5.7523","0.0002","19.3159","0.0007","8.7036","0.0004","90","","97.524","0.004","90","","958.74","0.07","298","1","298","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 O4 -","- C24 H22 O4 -","- C48 H44 O8 -","2","0.5","","Nowok, Andrzej; Kus, Piotr; Dulski, Mateusz; Kusz, Joachim; Ksiazek, Maria; Zubko, Maciej; Szeremeta, Anna; Pawlus, Sebastian","Role of intermolecular interactions and conformational changes in polymorphism and vitrification process of 2,2''-bis-substituted para-terphenyls","CrystEngComm","2020","","","","","10.1039/D0CE00351D","","","0.71073","MoKα","","0.0482","0.0413","","","0.1086","0.1144","","","","","","1.039","","","","has coordinates","249718","2020-10-21","18:00:00",""
"7240197","11.9012","0.0007","17.1124","0.0008","7.6347","0.0003","90","","93.574","0.003","90","","1551.84","0.13","298","1","298","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 O2 -","- C20 H18 O2 -","- C80 H72 O8 -","4","1","","Nowok, Andrzej; Kus, Piotr; Dulski, Mateusz; Kusz, Joachim; Ksiazek, Maria; Zubko, Maciej; Szeremeta, Anna; Pawlus, Sebastian","Role of intermolecular interactions and conformational changes in polymorphism and vitrification process of 2,2''-bis-substituted para-terphenyls","CrystEngComm","2020","","","","","10.1039/D0CE00351D","","","0.71073","MoKα","","0.0699","0.0523","","","0.1295","0.1387","","","","","","1.066","","","","has coordinates","249718","2020-10-21","18:00:00",""
"7240198","12.26148","0.0001","12.26148","0.0001","12.26148","0.0001","90","","90","","90","","1843.44","0.03","293","","293","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","","- Al2.3 Ga2.7 Gd3 O12 -","- Al2.301 Ga2.699 Gd3 O12 -","- Al18.408 Ga21.592 Gd24 O96 -","8","0.0833333","","Spassky, Dmitry; Kozlova, Nina; Zabelina, Evgeniia; Kasimova, Valentina; Krutyak, Nataliya; Ukhanova, Alisa; Morozov, Vladimir A.; Morozov, Anatolii V.; Buzanov, Oleg; Chernenko, Kirill; Omelkov, Sergey; Nagirnyi, Vitali","Influence of the Sc cation substituent on the structural properties and energy transfer processes in GAGG:Ce crystals","CrystEngComm","2020","","","","","10.1039/D0CE00122H","powder diffraction","x-ray","1.5406","CuKα","","0.0541","0.0495","","0.0591","0.0584","","","","4","","","","","","","has coordinates","249719","2020-10-21","18:00:00",""
"7240199","12.4372","0.0001","12.4372","0.0001","12.4372","0.0001","90","","90","","90","","1923.84","0.03","293","","293","","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","","","","- Al1.271 Ga2.1 Gd3 O12 Sc1.629 -","- Al1.272 Ga2.098 Gd3 O12 Sc1.63 -","- Al10.176 Ga16.784 Gd24 O96 Sc13.04 -","8","0.0833333","","Spassky, Dmitry; Kozlova, Nina; Zabelina, Evgeniia; Kasimova, Valentina; Krutyak, Nataliya; Ukhanova, Alisa; Morozov, Vladimir A.; Morozov, Anatolii V.; Buzanov, Oleg; Chernenko, Kirill; Omelkov, Sergey; Nagirnyi, Vitali","Influence of the Sc cation substituent on the structural properties and energy transfer processes in GAGG:Ce crystals","CrystEngComm","2020","","","","","10.1039/D0CE00122H","powder diffraction","x-ray","1.5406","CuKα","","0.0551","0.0482","","0.0573","0.057","","","","5.52","","","","","","","has coordinates","249719","2020-10-21","18:00:00",""
"7240200","9.0757","0.0003","11.0502","0.0004","11.7199","0.0005","103.378","0.003","105.493","0.003","104.407","0.003","1039.69","0.08","100","2","100","2","","","101.3","","","","","6","P 1","P 1","1","","","","- C40 H39 Cl2 F6 N6 O8.5 -","- C40 H39 Cl2 F6 N6 O8.5 -","- C40 H39 Cl2 F6 N6 O8.5 -","1","1","","Pettersen, Anna; Putra, Okky Dwichandra; Light, Mark E.; Namatame, Yukiko","Invitation to Submit: The Cambridge Structural Database "" A peculiar dehydration and solid-solid phase transition of the active pharmaceutical ingredient AZD9898 based on in situ single crystal-to-single crystal transformations ""","CrystEngComm","2020","","","","","10.1039/D0CE00276C","","x-ray","0.71073","MoKα","","0.0563","0.0429","","","0.1019","0.1071","","","","","","1.049","","","","has coordinates","249721","2020-10-21","18:00:00",""
"7240201","9.1429","0.0004","11.095","0.0005","11.6725","0.0005","103.187","0.004","105.203","0.004","104.668","0.004","1048.93","0.09","300","2","300","2","","","","","","","","6","P 1","P 1","1","","","","- C20 H19 Cl F3 N3 O4 -","- C20 H19 Cl F3 N3 O4 -","- C40 H38 Cl2 F6 N6 O8 -","2","2","","Pettersen, Anna; Putra, Okky Dwichandra; Light, Mark E.; Namatame, Yukiko","Invitation to Submit: The Cambridge Structural Database "" A peculiar dehydration and solid-solid phase transition of the active pharmaceutical ingredient AZD9898 based on in situ single crystal-to-single crystal transformations ""","CrystEngComm","2020","","","","","10.1039/D0CE00276C","","x-ray","0.71073","MoKα","","0.0839","0.0515","","","0.1096","0.1252","","","","","","1.021","","","","has coordinates,has disorder","249721","2020-10-21","18:00:00",""
"7240202","9.4219","0.0006","11.2659","0.0006","11.5862","0.0006","107.504","0.004","100.89","0.005","104.746","0.005","1086.25","0.12","410","2","410","2","","","","","","","","6","P 1","P 1","1","","","","- C20 H19 Cl F3 N3 O4 -","- C20 H19 Cl F3 N3 O4 -","- C40 H38 Cl2 F6 N6 O8 -","2","2","","Pettersen, Anna; Putra, Okky Dwichandra; Light, Mark E.; Namatame, Yukiko","Invitation to Submit: The Cambridge Structural Database "" A peculiar dehydration and solid-solid phase transition of the active pharmaceutical ingredient AZD9898 based on in situ single crystal-to-single crystal transformations ""","CrystEngComm","2020","","","","","10.1039/D0CE00276C","","x-ray","0.71073","MoKα","","0.1755","0.0692","","","0.1515","0.2004","","","","","","1.01","","","","has coordinates","249721","2020-10-21","18:00:00",""
"7240207","8.4509","0.0001","8.4509","0.0001","4.7354","0.0002","90","","90","","90","","338.191","0.015","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","a-H Al Na O5 P","","- Al H Na O5 P -","- Al Na O5 P -","- Al4 Na4 O20 P4 -","4","0.5","","Hao, Yucheng; Pan, Yang; Lin, Yuan; He, Linbo; Ge, Guangjie; Ruan, Yu; Zhou, Haida; Xue, Yang; Koirala, Kisan","Highly Porous Aluminophosphates with Unique Three Dimensional Open Framework Structures from Mild Hydrothermal Syntheses","CrystEngComm","2020","","","","","10.1039/D0CE00075B","","","1.54178","CuKα","","0.0598","0.0498","","","0.1544","0.1793","","","","","","1.227","","","","has coordinates","249769","2020-10-21","18:00:00",""
"7240208","6.1977","0.0002","6.1977","0.0002","10.3826","0.0009","90","","90","","90","","398.81","0.04","293","2","293","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","b-H Al Na O5 P","","- Al H Na O5 P -","- Al Na O4.996 P -","- Al4 Na4 O19.984 P4 -","4","0.125","","Hao, Yucheng; Pan, Yang; Lin, Yuan; He, Linbo; Ge, Guangjie; Ruan, Yu; Zhou, Haida; Xue, Yang; Koirala, Kisan","Highly Porous Aluminophosphates with Unique Three Dimensional Open Framework Structures from Mild Hydrothermal Syntheses","CrystEngComm","2020","","","","","10.1039/D0CE00075B","","","0.71073","MoKα","","0.0715","0.07","","","0.1846","0.1856","","","","","","1.368","","","","has coordinates","249769","2020-10-21","18:00:00",""
"7240209","7.8692","0.0005","7.8692","0.0005","7.0721","0.0006","90","","90","","120","","379.26","0.05","293","2","293","2","","","","","","","","3","P 63/m","-P 6c","176","","","","- Al1.17 O6.33 P1.83 -","- Al1.16667 O6.416 P1.8334 -","- Al3.5 O19.248 P5.5002 -","3","0.25","","Hao, Yucheng; Pan, Yang; Lin, Yuan; He, Linbo; Ge, Guangjie; Ruan, Yu; Zhou, Haida; Xue, Yang; Koirala, Kisan","Highly Porous Aluminophosphates with Unique Three Dimensional Open Framework Structures from Mild Hydrothermal Syntheses","CrystEngComm","2020","","","","","10.1039/D0CE00075B","","","0.71073","MoKα","","0.0362","0.0254","","","0.0515","0.0538","","","","","","1.076","","","","has coordinates","249769","2020-10-21","18:00:00",""
"7240210","9.5596","0.0004","34.5438","0.001","9.0322","0.0003","90","","113.902","0.005","90","","2726.9","0.2","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Acridine bis(2-Methyl-5-(propan-2-yl)phenol)","","- C33 H37 N O2 -","- C33 H37 N O2 -","- C132 H148 N4 O8 -","4","1","","Mazzeo, Paolo Pio; Canossa, Stefano; Carraro, Claudia; Pelagatti, Paolo; Bacchi, Alessia","Systematic coformer contribution to cocrystal stabilization: energy and packing trends","CrystEngComm","2020","","","","","10.1039/D0CE00291G","","","0.71073","MoKα","","0.0896","0.057","","","0.1202","0.1359","","","","","","1.051","","","","has coordinates","249770","2020-10-21","18:00:00",""
"7240211","12.1372","0.0001","9.1209","0.0001","17.2439","0.0002","90","","108.629","0.001","90","","1808.92","0.03","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Acridine 5-Methyl-2-(propan-2-yl)phenol","","- C23 H23 N O -","- C23 H23 N O -","- C92 H92 N4 O4 -","4","1","","Mazzeo, Paolo Pio; Canossa, Stefano; Carraro, Claudia; Pelagatti, Paolo; Bacchi, Alessia","Systematic coformer contribution to cocrystal stabilization: energy and packing trends","CrystEngComm","2020","","","","","10.1039/D0CE00291G","","","0.7","synchrotron","","0.0629","0.0617","","","0.1611","0.1627","","","","","","1.104","","","","has coordinates","249770","2020-10-21","18:00:00",""
"7240212","6.7908","0.0001","22.7451","0.0004","32.026","0.0007","90","","90","","90","","4946.65","0.16","173","","173","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C54 H90 O3 -","- C54 H90 O3 -","- C216 H360 O12 -","4","1","","Guo, Mengfei; Zhang, Zaiyong; Chen, Zhaoqiang; Ding, Qiaoce; Lu, Liye; Zhang, Qi; Wang, Jian-Rong; Mei, Xuefeng","The axial chirality hidden in vitamin D and its application in cocrystal prediction","CrystEngComm","2020","","","","","10.1039/D0CE00229A","","","1.54178","CuKα","","0.0687","0.0528","","","0.1337","0.1452","","","","","","1.031","","","","has coordinates","249771","2020-10-21","18:00:00",""
"7240213","6.9042","0.0008","22.803","0.003","31.694","0.004","90","","90","","90","","4989.8","1.1","170","","170","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C54 H92 O3 -","- C54 H92 O3 -","- C216 H368 O12 -","4","1","","Guo, Mengfei; Zhang, Zaiyong; Chen, Zhaoqiang; Ding, Qiaoce; Lu, Liye; Zhang, Qi; Wang, Jian-Rong; Mei, Xuefeng","The axial chirality hidden in vitamin D and its application in cocrystal prediction","CrystEngComm","2020","","","","","10.1039/D0CE00229A","","","0.71073","MoKα","","0.1245","0.0683","","","0.1497","0.1773","","","","","","1.011","","","","has coordinates","249771","2020-10-21","18:00:00",""
"7240223","7.8077","0.0016","6.1034","0.0012","22.881","0.005","90","","91.67","0.03","90","","1089.9","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 N2 O4 -","- C26 H24 N2 O4 -","- C52 H48 N4 O8 -","2","0.5","","Kilinkissa, Ornella E. Y.; Govender, Krishna Kuben; Bathori, Nikoletta B.","Melting point‒solubility‒structure correlations in chiral and racemic model cocrystals","CrystEngComm","2020","","","","","10.1039/D0CE00014K","","","0.71073","MoKα","","0.071","0.047","","","0.1188","0.133","","","","","","1.038","","","","has coordinates","249813","2020-10-21","18:00:00",""
"7240224","5.6951","0.0011","32.968","0.007","7.2241","0.0014","90","","109.74","0.03","90","","1276.7","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 N O2 -","- C15 H16 N O2 -","- C60 H64 N4 O8 -","4","1","","Kilinkissa, Ornella E. Y.; Govender, Krishna Kuben; Bathori, Nikoletta B.","Melting point‒solubility‒structure correlations in chiral and racemic model cocrystals","CrystEngComm","2020","","","","","10.1039/D0CE00014K","","","0.71073","MoKα","","0.0777","0.0626","","","0.1316","0.1378","","","","","","1.084","","","","has coordinates","249813","2020-10-21","18:00:00",""
"7240225","6.5705","0.0013","9.2493","0.0018","17.129","0.003","92.82","0.03","99.52","0.03","110.25","0.03","956.8","0.4","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C22 H22 N2 O4 -","- C22 H22 N2 O4 -","- C44 H44 N4 O8 -","2","2","","Kilinkissa, Ornella E. Y.; Govender, Krishna Kuben; Bathori, Nikoletta B.","Melting point‒solubility‒structure correlations in chiral and racemic model cocrystals","CrystEngComm","2020","","","","","10.1039/D0CE00014K","","","0.71073","MoKα","","0.0489","0.0398","","","0.0918","0.0969","","","","","","1.038","","","","has coordinates","249813","2020-10-21","18:00:00",""
"7240226","6.5593","0.0013","9.2837","0.0019","16.826","0.003","82.39","0.03","81.52","0.03","69.63","0.03","946.4","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H22 N2 O4 -","- C22 H22 N2 O4 -","- C44 H44 N4 O8 -","2","1","","Kilinkissa, Ornella E. Y.; Govender, Krishna Kuben; Bathori, Nikoletta B.","Melting point‒solubility‒structure correlations in chiral and racemic model cocrystals","CrystEngComm","2020","","","","","10.1039/D0CE00014K","","","0.71073","MoKα","","0.1195","0.0777","","","0.1634","0.1803","","","","","","1.06","","","","has coordinates","249813","2020-10-21","18:00:00",""
"7240227","9.3729","0.0019","18.545","0.004","11.135","0.002","90","","113.89","0.03","90","","1769.7","0.7","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 N2 O4 -","- C20 H18 N2 O4 -","- C80 H72 N8 O16 -","4","1","","Kilinkissa, Ornella E. Y.; Govender, Krishna Kuben; Bathori, Nikoletta B.","Melting point‒solubility‒structure correlations in chiral and racemic model cocrystals","CrystEngComm","2020","","","","","10.1039/D0CE00014K","","","0.71073","MoKα","","0.0581","0.0415","","","0.1024","0.1115","","","","","","1.04","","","","has coordinates","249813","2020-10-21","18:00:00",""
"7240228","20.435","0.002","4.6351","0.0006","17.7856","0.0019","90","","116.068","0.003","90","","1513.3","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Cadavarine adipate;Pentane-1,5-diamine adipate","1,5-Diaminopentane adipate","","- C11 H28 N2 O6 -","- C11 H28 N2 O6 -","- C44 H112 N8 O24 -","4","0.5","","Yang, Pengpeng; Peng, Xiaoqiang; Wang, Sen; Li, Dong; Li, Ming; Jiao, Pengfei; Zhuang, Wei; Wu, Jianglan; Wen, Qingshi; Ying, Hanjie","Crystal structure, Thermodynamics, and Crystallization of Bio-based Polyamide 56 salt","CrystEngComm","2020","","","","","10.1039/D0CE00198H","","","0.71073","MoKα","","0.0408","0.0358","","","0.0915","0.0943","","","","","","1.145","","","","has coordinates","249831","2020-10-21","18:00:00",""
"7240230","21.4445","0.0011","21.4445","0.0011","9.3118","0.0005","90","","90","","90","","4282.2","0.4","260","2","260","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C9 H9 O5.5 P1.25 Zn -","- C9 H9 O5.5 P1.25 Zn -","- C72 H72 O44 P10 Zn8 -","8","0.25","","Goldman, Anna; Gil-Hernández, Beatriz; Millan, Simon; Gökpinar, Serkan; Heering, Christian; Boldog, Ishtvan; Janiak, Christoph","Flexible bifunctional monoethylphosphonate/carboxylates of Zn(II) and Co(II) reinforced with DABCO co-ligand: paradigmatic structural organization with pcu topology","CrystEngComm","2020","","","","","10.1039/D0CE00275E","","","0.71073","MoKα","","0.0766","0.0585","","","0.1666","0.1867","","","","","","1.096","","","","has coordinates","249893","2020-10-21","18:00:00",""
"7240231","19.912","0.004","19.912","0.004","9.5338","0.0017","90","","90","","90","","3780","1.3","293","2","293","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C29 H42 N3 O12 P2 Zn2 -","- C29 H42 N3 O12 P2 Zn2 -","- C116 H168 N12 O48 P8 Zn8 -","4","0.25","","Goldman, Anna; Gil-Hernández, Beatriz; Millan, Simon; Gökpinar, Serkan; Heering, Christian; Boldog, Ishtvan; Janiak, Christoph","Flexible bifunctional monoethylphosphonate/carboxylates of Zn(II) and Co(II) reinforced with DABCO co-ligand: paradigmatic structural organization with pcu topology","CrystEngComm","2020","","","","","10.1039/D0CE00275E","","","0.71073","MoKα","","0.1102","0.0748","","","0.2041","0.2229","","","","","","0.976","","","","has coordinates,has disorder","249893","2020-10-21","18:00:00",""
"7240232","7.5505","0.0015","8.4609","0.0017","19.059","0.004","90","","94.78","0.005","90","","1213.3","0.4","99.98","","99.98","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C24 H32 Cl Mn N4 O4 -","- C24 H32 Cl Mn N4 O4 -","- C48 H64 Cl2 Mn2 N8 O8 -","2","0.5","","Villaman, David; McMonagle, Charles J.; Probert, Michael; Peña, Octavio; Moreno, Yanko; Fuentealba, Mauricio","Structural Studies of Manganese(III) Complex with Spin-Crossover and Thermochromic Properties","CrystEngComm","2020","","","","","10.1039/C9CE01962F","","","0.56086","AgKα","","0.0967","0.0579","","","0.1242","0.1467","","","","","","1.048","","","","has coordinates,has disorder","249894","2020-10-21","18:00:00",""
"7240233","8.0387","0.0016","8.3211","0.0016","19.109","0.004","90","","91.225","0.005","90","","1277.9","0.4","349.98","","349.98","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C24 H32 Cl Mn N4 O4 -","- C24 H32 Cl Mn N4 O4 -","- C48 H64 Cl2 Mn2 N8 O8 -","2","0.5","","Villaman, David; McMonagle, Charles J.; Probert, Michael; Peña, Octavio; Moreno, Yanko; Fuentealba, Mauricio","Structural Studies of Manganese(III) Complex with Spin-Crossover and Thermochromic Properties","CrystEngComm","2020","","","","","10.1039/C9CE01962F","","","0.56086","AgKα","","0.1262","0.0535","","","0.1327","0.1611","","","","","","1.051","","","","has coordinates","249894","2020-10-21","18:00:00",""
"7240234","7.8657","0.0004","8.3573","0.0005","19.1322","0.0011","90","","92.729","0.002","90","","1256.25","0.12","289.99","","289.99","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C24 H32 Cl Mn N4 O4 -","- C24 H32 Cl Mn N4 O4 -","- C48 H64 Cl2 Mn2 N8 O8 -","2","0.5","","Villaman, David; McMonagle, Charles J.; Probert, Michael; Peña, Octavio; Moreno, Yanko; Fuentealba, Mauricio","Structural Studies of Manganese(III) Complex with Spin-Crossover and Thermochromic Properties","CrystEngComm","2020","","","","","10.1039/C9CE01962F","","","0.56086","AgKα","","0.1082","0.0426","","","0.1148","0.1458","","","","","","1.102","","","","has coordinates","249894","2020-10-21","18:00:00",""
"7240235","8.1041","0.0017","8.3084","0.0017","19.127","0.004","90","","90.843","0.005","90","","1287.7","0.5","400","","400","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C24 H32 Cl Mn N4 O4 -","- C24 H32 Cl Mn N4 O4 -","- C48 H64 Cl2 Mn2 N8 O8 -","2","0.5","","Villaman, David; McMonagle, Charles J.; Probert, Michael; Peña, Octavio; Moreno, Yanko; Fuentealba, Mauricio","Structural Studies of Manganese(III) Complex with Spin-Crossover and Thermochromic Properties","CrystEngComm","2020","","","","","10.1039/C9CE01962F","","","0.56086","AgKα","","0.1389","0.0469","","","0.1227","0.1641","","","","","","1.055","","","","has coordinates","249894","2020-10-21","18:00:00",""
"7240242","21.0346","0.0009","13.9323","0.0007","8.424","0.0005","90","","92.856","0.002","90","","2465.7","0.2","296","2","296","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C15 H20 F8 N10 O2 V2 Zn2 -","- C15 H20 F8 N10 O2 V2 Zn2 -","- C60 H80 F32 N40 O8 V8 Zn8 -","4","0.5","","Ahmed, Belal; Jo, Hongil; Lee, Suheon; Choi, Kwang-Yong; Ok, Kang Min","Influence of structure-directing polyhedra and heterocyclic ligands on the chain structures and O/F ordering in a series of zinc vanadium oxyfluorides","CrystEngComm","2020","","","","","10.1039/D0CE00318B","","","0.71073","MoKα","","0.0912","0.051","","","0.1056","0.1243","","","","","","1.022","","","","has coordinates","249990","2020-10-21","18:00:00",""
"7240243","9.97","0.002","15.173","0.003","18.46","0.004","90","","105.65","0.03","90","","2689","1","298","2","297.85","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H26 F6 N8 O3 V2 Zn -","- C16 H26 F6 N8 O3 V2 Zn -","- C64 H104 F24 N32 O12 V8 Zn4 -","4","1","","Ahmed, Belal; Jo, Hongil; Lee, Suheon; Choi, Kwang-Yong; Ok, Kang Min","Influence of structure-directing polyhedra and heterocyclic ligands on the chain structures and O/F ordering in a series of zinc vanadium oxyfluorides","CrystEngComm","2020","","","","","10.1039/D0CE00318B","","x-ray","0.63","synchrotron","","0.0559","0.0437","","","0.1273","0.1321","","","","","","1.087","","","","has coordinates","249990","2020-10-21","18:00:00",""
"7240244","21.4873","0.0008","14.4408","0.0005","20.9884","0.0007","90","","112.827","0.002","90","","6002.5","0.4","298","2","298","0.2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H60 F12 N20 O3 V3 Zn3 -","- C40 H60 F12 N20 O3 V3 Zn3 -","- C160 H240 F48 N80 O12 V12 Zn12 -","4","1","","Ahmed, Belal; Jo, Hongil; Lee, Suheon; Choi, Kwang-Yong; Ok, Kang Min","Influence of structure-directing polyhedra and heterocyclic ligands on the chain structures and O/F ordering in a series of zinc vanadium oxyfluorides","CrystEngComm","2020","","","","","10.1039/D0CE00318B","","x-ray","0.71073","MoKα","","0.1717","0.0639","","","0.13","0.1781","","","","","","0.965","","","","has coordinates","249990","2020-10-21","18:00:00",""
"7240245","20.3464","0.0001","37.9267","0.0003","30.4684","0.0002","90","","97.04","0.001","90","","23334.3","0.3","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C132 H292.5 Cl2.5 N88 O123 -","- C132 H132 Cl2.5 N88 O123.039 -","- C528 H528 Cl10 N352 O492.156 -","4","1","","Danylyuk, Oksana; Sashuk, Volodymyr","A three-in-one crystal of mixed sized cucurbit[n]uril homologues","CrystEngComm","2020","","","","","10.1039/D0CE00296H","","","1.54184","CuKα","","0.1194","0.1021","","","0.291","0.3138","","","","","","1.087","","","","has coordinates,has disorder","249991","2020-10-21","18:00:00",""
"7240247","9.461","0.0006","26.3464","0.0013","11.1125","0.0008","90","","90","","90","","2769.9","0.3","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C28 H32 Cu N4 O7 -","- C28 H32 Cu N4 O7 -","- C112 H128 Cu4 N16 O28 -","4","1","","Ma, Yu-Lu; Meng, Qin; Xu, Zhong-Xuan","Semi-conductive helical homochiral metal−organic frameworks based on enantiomeric proline derivatives","CrystEngComm","2020","","","","","10.1039/D0CE00262C","","x-ray","0.71073","MoKα","","0.0441","0.036","","","0.0873","0.09","","","","","","1.039","","","","has coordinates","250032","2020-10-21","18:00:00",""
"7240248","9.4529","0.0006","26.3871","0.001","11.1375","0.0006","90","","90","","90","","2778.1","0.3","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C28 H32 Cu N4 O7 -","- C28 H32 Cu N4 O7 -","- C112 H128 Cu4 N16 O28 -","4","1","","Ma, Yu-Lu; Meng, Qin; Xu, Zhong-Xuan","Semi-conductive helical homochiral metal−organic frameworks based on enantiomeric proline derivatives","CrystEngComm","2020","","","","","10.1039/D0CE00262C","","x-ray","0.71073","MoKα","","0.0419","0.0343","","","0.0804","0.0825","","","","","","1.031","","","","has coordinates","250032","2020-10-21","18:00:00",""
"7240249","11.4298","0.0007","17.5953","0.0009","23.3164","0.0013","90","","90","","90","","4689.2","0.5","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C23 H22 Co N3 O6.5 -","- C23 H21 Co N3 O6.5 -","- C184 H168 Co8 N24 O52 -","8","1","","Ma, Yu-Lu; Meng, Qin; Xu, Zhong-Xuan","Semi-conductive helical homochiral metal−organic frameworks based on enantiomeric proline derivatives","CrystEngComm","2020","","","","","10.1039/D0CE00262C","","x-ray","0.71073","MoKα","","0.0356","0.0311","","","0.0741","0.0757","","","","","","1.021","","","","has coordinates,has disorder","250032","2020-10-21","18:00:00",""
"7240250","11.4166","0.0009","17.5949","0.0013","23.3418","0.0016","90","","90","","90","","4688.8","0.6","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C23 H22 Co N3 O6.5 -","- C23 H21 Co N3 O6.5 -","- C184 H168 Co8 N24 O52 -","8","1","","Ma, Yu-Lu; Meng, Qin; Xu, Zhong-Xuan","Semi-conductive helical homochiral metal−organic frameworks based on enantiomeric proline derivatives","CrystEngComm","2020","","","","","10.1039/D0CE00262C","","x-ray","0.71073","MoKα","","0.035","0.0316","","","0.0809","0.0822","","","","","","1.004","","","","has coordinates,has disorder","250032","2020-10-21","18:00:00",""
"7240253","9.8022","0.0003","11.3939","0.0003","14.907","0.0004","88.3116","0.0011","89.7934","0.0011","65.7475","0.001","1517.23","0.07","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H16 O2 Si -","- C18 H16 O2 Si -","- C72 H64 O8 Si4 -","4","2","","Medvedev, Alexander G.; Grishanov, Dmitry A.; Churakov, Andrei V.; Mikhaylov, Alexey A.; Lev, Ovadia; Prikhodchenko, Petr V.","Hydroperoxo double hydrogen bonding: stabilization of hydroperoxo complexes exemplified by triphenylsilicon and triphenylgermanium hydroperoxides","CrystEngComm","2020","22","11","1922","1928","10.1039/C9CE01882D","","","0.71073","MoKα","","0.0538","0.0412","","","0.0913","0.0971","","","","","","1.037","","","","has coordinates","257484","2020-10-21","18:00:00",""
"7240254","8.6748","0.0002","9.4769","0.0002","11.2572","0.0003","65.78","0.001","88.888","0.001","66.382","0.001","761.58","0.03","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H30 Ge2 O2 -","- C36 H30 Ge2 O2 -","- C36 H30 Ge2 O2 -","1","0.5","","Medvedev, Alexander G.; Grishanov, Dmitry A.; Churakov, Andrei V.; Mikhaylov, Alexey A.; Lev, Ovadia; Prikhodchenko, Petr V.","Hydroperoxo double hydrogen bonding: stabilization of hydroperoxo complexes exemplified by triphenylsilicon and triphenylgermanium hydroperoxides","CrystEngComm","2020","22","11","1922","1928","10.1039/C9CE01882D","","","0.71073","MoKα","","0.0254","0.0237","","","0.062","0.0628","","","","","","1.066","","","","has coordinates","257484","2020-10-21","18:00:00",""
"7240255","9.8517","0.0003","11.4503","0.0003","15.0058","0.0004","88.4868","0.0009","89.8466","0.001","65.3416","0.0009","1537.77","0.07","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H16 Ge O2 -","- C18 H16 Ge O2 -","- C72 H64 Ge4 O8 -","4","2","","Medvedev, Alexander G.; Grishanov, Dmitry A.; Churakov, Andrei V.; Mikhaylov, Alexey A.; Lev, Ovadia; Prikhodchenko, Petr V.","Hydroperoxo double hydrogen bonding: stabilization of hydroperoxo complexes exemplified by triphenylsilicon and triphenylgermanium hydroperoxides","CrystEngComm","2020","22","11","1922","1928","10.1039/C9CE01882D","","","0.71073","MoKα","","0.0517","0.0394","","","0.1003","0.1052","","","","","","1.069","","","","has coordinates","257484","2020-10-21","18:00:00",""
"7240263","11.6483","0.0005","12.8326","0.0005","15.9004","0.0006","85.574","0.001","68.719","0.001","75.628","0.001","2145.16","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H30 Cd Mn2 N6 O10 -","- C46 H30 Cd Mn2 N6 O10 -","- C92 H60 Cd2 Mn4 N12 O20 -","2","1","","Gavrikov, Andrey Vyacheslavovich; Ilyukhin, Andrey; Koroteev, Pavel Sergeevich","Step-by-step: Uncommon SCSC transformation accompanied by stepwise change in binding of particular ligand within mononuclear complex upon stepwise desolvation","CrystEngComm","2020","","","","","10.1039/D0CE00379D","","","0.71073","MoKα","","0.0576","0.0447","","","0.0926","0.0971","","","","","","1.068","","","","has coordinates","250429","2020-10-21","18:00:00",""
"7240264","11.196","0.003","12.133","0.003","16.012","0.004","70.63","0.008","74.044","0.008","75.725","0.007","1943.7","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H24 Cd Mn2 N4 O10 -","- C42 H24 Cd Mn2 N4 O10 -","- C84 H48 Cd2 Mn4 N8 O20 -","2","1","","Gavrikov, Andrey Vyacheslavovich; Ilyukhin, Andrey; Koroteev, Pavel Sergeevich","Step-by-step: Uncommon SCSC transformation accompanied by stepwise change in binding of particular ligand within mononuclear complex upon stepwise desolvation","CrystEngComm","2020","","","","","10.1039/D0CE00379D","","","0.71073","MoKα","","0.2172","0.1433","","","0.2777","0.3114","","","","","","1.286","","","","has coordinates","250429","2020-10-21","18:00:00",""
"7240265","11.1656","0.0012","12.1921","0.0014","15.7403","0.0018","79.978","0.003","73.141","0.003","74.814","0.003","1967.9","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H27 Cd Mn2 N5 O10 -","- C44 H27 Cd Mn2 N5 O10 -","- C88 H54 Cd2 Mn4 N10 O20 -","2","1","","Gavrikov, Andrey Vyacheslavovich; Ilyukhin, Andrey; Koroteev, Pavel Sergeevich","Step-by-step: Uncommon SCSC transformation accompanied by stepwise change in binding of particular ligand within mononuclear complex upon stepwise desolvation","CrystEngComm","2020","","","","","10.1039/D0CE00379D","","","0.71073","MoKα","","0.1333","0.1061","","","0.2994","0.3225","","","","","","1.048","","","","has coordinates","250429","2020-10-21","18:00:00",""
"7240272","10.7102","0.0008","12.4241","0.0009","18.9297","0.0014","88.674","0.002","81.057","0.003","77.969","0.002","2433.5","0.3","100","2","100","","","","","","","","","9","P -1","-P 1","2","","","","- C86 H74 Cd2 Cl8 F12 N4 Nd2 O22 S4 -","- C86 H74 Cd2 Cl8 F12 N4 Nd2 O22 S4 -","- C86 H74 Cd2 Cl8 F12 N4 Nd2 O22 S4 -","1","0.5","","Qi, Yue; Sun, Ou; Zhou, Yanyan; Yao, Yuan; Cheng, Zhenyu; Gao, Ting; Li, Hongfeng","Enhanced near-infrared luminescence in Ln2Cd2 (Ln = Nd, Yb) heterotetranuclear complexes","CrystEngComm","2020","","","","","10.1039/D0CE00341G","","","0.71073","MoKα","","0.0543","0.0516","","","0.1321","0.1346","","","","","","1.07","","","","has coordinates,has disorder","250474","2020-10-21","18:00:00",""
"7240273","10.876","0.004","12.218","0.004","12.367","0.005","66.42","0.007","78.642","0.007","69.642","0.007","1408.9","0.9","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H48 Cl6 N36 O30 -","- C21 H48 Cl6 N36 O30 -","- C21 H48 Cl6 N36 O30 -","1","0.5","","Geng, Wenjing; Jia, Yunfei; Chen, Ya; Ma, Qing; Fan, Guijuan; Liao, Longyu","Superior thermally robust energetic materials featuring Z-E isomeric bis(3,4-diamino-1,2,4-triazol-5-yl)-1H-pyrazole: self-assembly nitrogen-rich tubes and templates with Hofmeister anions capture architecture","CrystEngComm","2020","","","","","10.1039/D0CE00278J","","","0.71073","MoKα","","0.1531","0.0934","","","0.2572","0.3128","","","","","","0.996","","","","has coordinates,has disorder","250475","2020-10-21","18:00:00",""
"7240274","6.6062","0.0007","10.0221","0.0011","24.619","0.003","90","","95.193","0.004","90","","1623.3","0.3","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H18 N12 O7 S -","- C7 H18 N12 O7 S -","- C28 H72 N48 O28 S4 -","4","1","","Geng, Wenjing; Jia, Yunfei; Chen, Ya; Ma, Qing; Fan, Guijuan; Liao, Longyu","Superior thermally robust energetic materials featuring Z-E isomeric bis(3,4-diamino-1,2,4-triazol-5-yl)-1H-pyrazole: self-assembly nitrogen-rich tubes and templates with Hofmeister anions capture architecture","CrystEngComm","2020","","","","","10.1039/D0CE00278J","","","0.71073","MoKα","","0.1197","0.0574","","","0.1298","0.1587","","","","","","0.999","","","","has coordinates","250475","2020-10-21","18:00:00",""
"7240275","7.054","0.0002","21.5123","0.0005","10.5167","0.0002","90","","96.191","0.001","90","","1586.58","0.07","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H22 N4 O5 -","- C15 H22 N4 O5 -","- C60 H88 N16 O20 -","4","1","","Tabbasum, Nida; Varras, Panayiotis C.; Arshad, Fizza; Choudhary, Muhammad Iqbal; Yousuf, Sammer","Biological activities tuning of antibacterial urotorpine via co-crystallization: Synthesis, biological activity evaluation and computational insight","CrystEngComm","2020","","","","","10.1039/D0CE00226G","","","1.54178","CuKα","","0.0413","0.0354","","","0.0859","0.0897","","","","","","1.058","","","","has coordinates","250476","2020-10-21","18:00:00",""
"7240276","30.5126","0.001","9.6815","0.0003","7.3786","0.0002","90","","90","","90","","2179.7","0.11","100","2","100","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C12 H14 N2 O2 -","- C12 H14 N2 O2 -","- C96 H112 N16 O16 -","8","1","","Tabbasum, Nida; Varras, Panayiotis C.; Arshad, Fizza; Choudhary, Muhammad Iqbal; Yousuf, Sammer","Biological activities tuning of antibacterial urotorpine via co-crystallization: Synthesis, biological activity evaluation and computational insight","CrystEngComm","2020","","","","","10.1039/D0CE00226G","","","1.54178","CuKα","","0.028","0.0263","","","0.0642","0.0653","","","","","","1.087","","","","has coordinates","250476","2020-10-21","18:00:00",""
"7240277","17.3306","0.0013","5.9128","0.0005","17.503","0.0013","90","","92.156","0.003","90","","1792.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 F3 N4 O2 -","- C19 H21 F3 N4 O2 -","- C76 H84 F12 N16 O8 -","4","1","","Tabbasum, Nida; Varras, Panayiotis C.; Arshad, Fizza; Choudhary, Muhammad Iqbal; Yousuf, Sammer","Biological activities tuning of antibacterial urotorpine via co-crystallization: Synthesis, biological activity evaluation and computational insight","CrystEngComm","2020","","","","","10.1039/D0CE00226G","","","1.54178","CuKα","","0.0439","0.0352","","","0.0835","0.0883","","","","","","1.017","","","","has coordinates,has disorder","250476","2020-10-21","18:00:00",""
"7240278","7.4169","0.0001","7.4169","0.0001","31.97","0.0007","90","","90","","90","","1758.68","0.05","302","2","302","","","","","","","","","4","I 41/a m d :2","-I 4bd 2","141","","Cs2UO2Ga2O5","","- Cs2 Ga2 O7 U -","- Cs2.0022 Ga2 O7 U -","- Cs16.0176 Ga16 O56 U8 -","8","0.25","","Juillerat, Christian A.; Klepov, Vladislav; Smith, Mark D.; Zur Loye, Hans-Conrad","Targeted Crystal Growth of Uranium Gallophosphates Via the Systematic Exploration of the UF4-GaPO4-ACl (A = Cs, Rb) Phase Space","CrystEngComm","2020","","","","","10.1039/D0CE00343C","","","0.71073","MoKα","","0.0214","0.021","","","0.0498","0.0499","","","","","","1.326","","","","has coordinates","250477","2020-10-21","18:00:00",""
"7240279","7.3052","0.0008","9.0828","0.001","11.7254","0.0013","75.857","0.004","72.834","0.004","86.974","0.004","720.65","0.14","301","2","301","2","","","","","","","","4","P -1","-P 1","2","","Rb6(UO2)5O2(PO4)4","","- O28 P4 Rb6 U5 -","- O28 P4 Rb6 U5 -","- O28 P4 Rb6 U5 -","1","0.5","","Juillerat, Christian A.; Klepov, Vladislav; Smith, Mark D.; Zur Loye, Hans-Conrad","Targeted Crystal Growth of Uranium Gallophosphates Via the Systematic Exploration of the UF4-GaPO4-ACl (A = Cs, Rb) Phase Space","CrystEngComm","2020","","","","","10.1039/D0CE00343C","","","0.71073","MoKα","","0.0314","0.0282","","","0.0728","0.0746","","","","","","1.056","","","","has coordinates","250477","2020-10-21","18:00:00",""
"7240280","9.548","0.004","13.488","0.005","14.898","0.006","64.755","0.016","72.369","0.016","89.511","0.016","1637.6","1.2","301","2","301","2","","","","","","","","5","P -1","-P 1","2","","Rb5.93Cl0.93[UO2)5(PO4)5]","","- Cl0.95 O30 P5 Rb5.93 U5 -","- Cl0.947 O30 P5 Rb5.926 U5 -","- Cl1.894 O60 P10 Rb11.852 U10 -","2","1","","Juillerat, Christian A.; Klepov, Vladislav; Smith, Mark D.; Zur Loye, Hans-Conrad","Targeted Crystal Growth of Uranium Gallophosphates Via the Systematic Exploration of the UF4-GaPO4-ACl (A = Cs, Rb) Phase Space","CrystEngComm","2020","","","","","10.1039/D0CE00343C","","","0.71073","MoKα","","0.0703","0.0482","","","0.0892","0.096","","","","","","1.098","","","","has coordinates","250477","2020-10-21","18:00:00",""
"7240281","9.5935","0.0005","13.7652","0.0008","13.2983","0.0008","90","","101.343","0.002","90","","1721.82","0.17","303","2","302.88","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Rb7.5[(UO2)8O8.6F0.4(PO4)2]","","- F0.4 O32.6 P2 Rb7.6 U8 -","- F0.4 O32.6 P2 Rb7.6 U8 -","- F0.8 O65.2 P4 Rb15.2 U16 -","2","0.5","","Juillerat, Christian A.; Klepov, Vladislav; Smith, Mark D.; Zur Loye, Hans-Conrad","Targeted Crystal Growth of Uranium Gallophosphates Via the Systematic Exploration of the UF4-GaPO4-ACl (A = Cs, Rb) Phase Space","CrystEngComm","2020","","","","","10.1039/D0CE00343C","","","0.71073","MoKα","","0.0428","0.0405","","","0.0865","0.0874","","","","","","1.362","","","","has coordinates","250477","2020-10-21","18:00:00",""
"7240282","25.7697","0.0006","25.7697","0.0006","9.3962","0.0002","90","","90","","90","","6239.8","0.2","301","2","301.14","","","","","","","","","4","P 42/m b c","-P 4c 2ab","135","","Rb11[(UO2)8(PO4)9]","","- O52 P9 Rb11.02 U8 -","- O52 P9 Rb10.9988 U8 -","- O208 P36 Rb43.9952 U32 -","4","0.25","","Juillerat, Christian A.; Klepov, Vladislav; Smith, Mark D.; Zur Loye, Hans-Conrad","Targeted Crystal Growth of Uranium Gallophosphates Via the Systematic Exploration of the UF4-GaPO4-ACl (A = Cs, Rb) Phase Space","CrystEngComm","2020","","","","","10.1039/D0CE00343C","","","0.71073","MoKα","","0.0366","0.035","","","0.0903","0.091","","","","","","1.326","","","","has coordinates","250477","2020-10-21","18:00:00",""
"7240290","34.428","0.005","3.812","0.0006","19.787","0.003","90","","90","","90","","2596.8","0.7","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C6 H7 N3 O -","- C6 H7 N3 O -","- C96 H112 N48 O16 -","16","4","","Zhang, Keke; Fellah, Noalle; Shtukenberg, Alexander G.; Fu, Xiaoyan; Hu, Chunhua; Ward, Michael D.","Discovery of new polymorphs of the tuberculosis drug isoniazid","CrystEngComm","2020","","","","","10.1039/D0CE00440E","","","0.71073","MoKα","","0.085","0.0515","","","0.105","0.1202","","","","","","1.027","","","","has coordinates","250517","2020-10-21","18:00:00",""
"7240291","4.7844","0.001","6.1705","0.0012","15.43","0.003","90","","96.42","0.03","90","","452.67","0.16","113","2","113","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H8 N4 -","- C10 H8 N4 -","- C20 H16 N8 -","2","0.5","","Gao, Lei; Hao, Yunhui; Zhang, Xiunan; Huang, Xin; Wang, Ting; Hao, Hongxun","Polymorph Induced Diversity of Photomechanical Motions of Molecular Crystals","CrystEngComm","2020","","","","","10.1039/D0CE00311E","","","0.71073","MoKα","","0.0547","0.0447","","","0.1185","0.1246","","","","","","1.05","","","","has coordinates","250518","2020-10-21","18:00:00",""
"7240296","11.0533","0.0006","11.0533","0.0006","31.3156","0.0016","90","","90","","90","","3826","0.4","150","2","150","2","","","","","","","","5","P 41","P 4w","76","","","","- C33 H40 Co3 N6 O17 -","- C33 H40 Co3 N6 O17 -","- C132 H160 Co12 N24 O68 -","4","1","","Jiang, Zhenzhen; Zhou, Ping; Xu, Tingting; Fan, Lihui; Hu, Simin; Chen, Jingxian; He, Yabing","Two Co-based MOFs assembled from an amine-functionalized pyridinecarboxylate ligand: inorganic acid-directed structural variety and gas adsorption properties","CrystEngComm","2020","","","","","10.1039/D0CE00475H","","","0.71073","MoKα","","0.0426","0.04","","","0.0999","0.1026","","","","","","1.072","","","","has coordinates,has disorder","250675","2020-10-21","18:00:00",""
"7240297","23.8554","0.0005","23.8554","0.0005","11.0075","0.0002","90","","90","","120","","5424.91","0.19","150","2","150","2","","","","","","","","5","P 61","P 61","169","","","","- C25 H35 Co3 N5 O15 -","- C22 H25 Co3 N4 O13 -","- C132 H150 Co18 N24 O78 -","6","1","","Jiang, Zhenzhen; Zhou, Ping; Xu, Tingting; Fan, Lihui; Hu, Simin; Chen, Jingxian; He, Yabing","Two Co-based MOFs assembled from an amine-functionalized pyridinecarboxylate ligand: inorganic acid-directed structural variety and gas adsorption properties","CrystEngComm","2020","","","","","10.1039/D0CE00475H","","","0.71073","MoKα","","0.0412","0.037","","","0.0937","0.0974","","","","","","1.054","","","","has coordinates","250675","2020-10-21","18:00:00",""
"7240298","12.1799","0.00046","13.7527","0.00061","7.0999","0.00039","90","","90","","90","","1189.28","0.1","298","","298","","","","","","","","","5","P n a m","-P 2c 2n","62","","","","- C8.4 H11.6 Cu N4.8 O0.8 -","- C8.3622 H11.5118 Cu N4.7874 O0.7874 -","- C33.4488 H46.0472 Cu4 N19.1496 O3.1496 -","4","0.5","","Di Nicola, Corrado; Tombesi, Alessia; Moroni, Marco; Vismara, Rebecca; Marchetti, Fabio; Pettinari, Riccardo; Nardo, Luca; Vesco, Guglielmo; Galli, Simona; Casassa, Silvia; Pandolfo, Luciano; Pettinari, Claudio","Investigation on the Interconversion from DMF-Solvated to Unsolvated Copper(II) Pyrazolate Coordination Polymers","CrystEngComm","2020","","","","","10.1039/D0CE00370K","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","250746","2020-10-21","18:00:00",""
"7240299","18.7113","0.0009","6.72929","0.00027","6.84365","0.00015","90","","90","","90","","861.71","0.06","298","","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C3 H4 Cu N2 O -","- C3 H4 Cu N2 O -","- C24 H32 Cu8 N16 O8 -","8","1","","Di Nicola, Corrado; Tombesi, Alessia; Moroni, Marco; Vismara, Rebecca; Marchetti, Fabio; Pettinari, Riccardo; Nardo, Luca; Vesco, Guglielmo; Galli, Simona; Casassa, Silvia; Pandolfo, Luciano; Pettinari, Claudio","Investigation on the Interconversion from DMF-Solvated to Unsolvated Copper(II) Pyrazolate Coordination Polymers","CrystEngComm","2020","","","","","10.1039/D0CE00370K","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","250746","2020-10-21","18:00:00",""
"7240300","20.26801","0.0005","9.53129","0.00021","7.35857","0.00015","90","","90","","90","","1421.53","0.06","298","","298","","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C8.6 H10 Cu I2 N4.9 O0.9 -","- C8.5872 H10.0368 Cu I2 N4.4312 O0.862 -","- C34.3488 H40.1472 Cu4 I8 N17.7248 O3.448 -","4","0.25","","Di Nicola, Corrado; Tombesi, Alessia; Moroni, Marco; Vismara, Rebecca; Marchetti, Fabio; Pettinari, Riccardo; Nardo, Luca; Vesco, Guglielmo; Galli, Simona; Casassa, Silvia; Pandolfo, Luciano; Pettinari, Claudio","Investigation on the Interconversion from DMF-Solvated to Unsolvated Copper(II) Pyrazolate Coordination Polymers","CrystEngComm","2020","","","","","10.1039/D0CE00370K","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","250746","2020-10-21","18:00:00",""
"7240301","13.70385","0.00033","14.45157","0.00035","7.13836","0.00019","90","","90","","90","","1413.7","0.06","298","","298","","","","","","","","","6","P n a m","-P 2c 2n","62","","","","- C9 H11 Cl2 Cu N5 O -","- C9 H11 Cl2 Cu N5 O1.0001 -","- C36 H44 Cl8 Cu4 N20 O4.0004 -","4","0.5","","Di Nicola, Corrado; Tombesi, Alessia; Moroni, Marco; Vismara, Rebecca; Marchetti, Fabio; Pettinari, Riccardo; Nardo, Luca; Vesco, Guglielmo; Galli, Simona; Casassa, Silvia; Pandolfo, Luciano; Pettinari, Claudio","Investigation on the Interconversion from DMF-Solvated to Unsolvated Copper(II) Pyrazolate Coordination Polymers","CrystEngComm","2020","","","","","10.1039/D0CE00370K","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","250746","2020-10-21","18:00:00",""
"7240302","20.17156","0.00039","9.23328","0.00021","7.29128","0.00014","90","","90","","90","","1358","0.05","298","","298","","","","","","","","","6","P b n m","-P 2c 2ab","62","","","","- C7.5 H7.5 Cu I2 N4.5 O0.5 -","- C7.6284 H7.7996 Cu I2 N4.5428 O0.5428 -","- C30.5136 H31.1984 Cu4 I8 N18.1712 O2.1712 -","4","0.5","","Di Nicola, Corrado; Tombesi, Alessia; Moroni, Marco; Vismara, Rebecca; Marchetti, Fabio; Pettinari, Riccardo; Nardo, Luca; Vesco, Guglielmo; Galli, Simona; Casassa, Silvia; Pandolfo, Luciano; Pettinari, Claudio","Investigation on the Interconversion from DMF-Solvated to Unsolvated Copper(II) Pyrazolate Coordination Polymers","CrystEngComm","2020","","","","","10.1039/D0CE00370K","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","250746","2020-10-21","18:00:00",""
"7240303","14.12276","0.00037","14.41132","0.0003","7.12786","0.00017","90","","90","","90","","1450.72","0.06","298","","298","","","","","","","","","6","P n a m","-P 2c 2n","62","","","","- C9 H11 Br2 Cu N5 O -","- C9.1554 H11.3626 Br2 Cu N5.0518 O1.0518 -","- C36.6216 H45.4504 Br8 Cu4 N20.2072 O4.2072 -","4","0.5","","Di Nicola, Corrado; Tombesi, Alessia; Moroni, Marco; Vismara, Rebecca; Marchetti, Fabio; Pettinari, Riccardo; Nardo, Luca; Vesco, Guglielmo; Galli, Simona; Casassa, Silvia; Pandolfo, Luciano; Pettinari, Claudio","Investigation on the Interconversion from DMF-Solvated to Unsolvated Copper(II) Pyrazolate Coordination Polymers","CrystEngComm","2020","","","","","10.1039/D0CE00370K","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","250746","2020-10-21","18:00:00",""
"7240304","7.6112","0.0005","11.9128","0.0007","16.0046","0.001","81.915","0.003","81.796","0.003","80.15","0.003","1405.04","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H58 Cl6 N4 O12 -","- C64 H58 Cl6 N4 O12 -","- C64 H58 Cl6 N4 O12 -","1","0.5","","Tominaga, Masahide; Mizuno, Kosuke; Yamamoto, Haruka; Hyodo, Tadashi; Yamaguchi, Kentaro","Co-Inclusion of cyclic ethers and chloroform by a macrocycle with benzophenone-3,3′,4,4′-tetracarboxylic diimide units","CrystEngComm","2020","","","","","10.1039/D0CE00221F","","","1.54178","CuKα","","0.0678","0.056","","","0.1485","0.1578","","","","","","1.047","","","","has coordinates","250755","2020-10-21","18:00:00",""
"7240305","7.6225","0.0008","12.046","0.0013","15.9044","0.0017","81.746","0.005","80.373","0.005","79.855","0.005","1407.4","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H58 Cl6 N4 O11 -","- C64 H58 Cl6 N4 O11 -","- C64 H58 Cl6 N4 O11 -","1","0.5","","Tominaga, Masahide; Mizuno, Kosuke; Yamamoto, Haruka; Hyodo, Tadashi; Yamaguchi, Kentaro","Co-Inclusion of cyclic ethers and chloroform by a macrocycle with benzophenone-3,3′,4,4′-tetracarboxylic diimide units","CrystEngComm","2020","","","","","10.1039/D0CE00221F","","","1.54178","CuKα","","0.0947","0.0861","","","0.2402","0.2484","","","","","","1.077","","","","has coordinates,has disorder","250755","2020-10-21","18:00:00",""
"7240306","7.6781","0.0005","12.0451","0.0008","15.9522","0.0011","81.688","0.003","81.54","0.003","79.019","0.003","1422.19","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H58.01 Cl5.97 N4 O12 -","- C64.0064 H58.0128 Cl5.97 N4 O12.0032 -","- C64.0064 H58.0128 Cl5.97 N4 O12.0032 -","1","0.5","","Tominaga, Masahide; Mizuno, Kosuke; Yamamoto, Haruka; Hyodo, Tadashi; Yamaguchi, Kentaro","Co-Inclusion of cyclic ethers and chloroform by a macrocycle with benzophenone-3,3′,4,4′-tetracarboxylic diimide units","CrystEngComm","2020","","","","","10.1039/D0CE00221F","","","1.54178","CuKα","","0.111","0.0868","","","0.2291","0.2485","","","","","","1.027","","","","has coordinates,has disorder","250755","2020-10-21","18:00:00",""
"7240307","7.612","0.0005","12.0404","0.0007","15.8636","0.001","81.859","0.002","81.279","0.002","80.545","0.002","1407.4","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C63 H56 Cl6 N4 O12 -","- C63 H56 Cl6 N4 O12 -","- C63 H56 Cl6 N4 O12 -","1","0.5","","Tominaga, Masahide; Mizuno, Kosuke; Yamamoto, Haruka; Hyodo, Tadashi; Yamaguchi, Kentaro","Co-Inclusion of cyclic ethers and chloroform by a macrocycle with benzophenone-3,3′,4,4′-tetracarboxylic diimide units","CrystEngComm","2020","","","","","10.1039/D0CE00221F","","","1.54178","CuKα","","0.0766","0.0621","","","0.1683","0.1789","","","","","","1.066","","","","has coordinates,has disorder","250755","2020-10-21","18:00:00",""
"7240312","11.8368","0.0007","12.9003","0.0007","12.9079","0.0008","77.415","0.002","70.445","0.002","87.203","0.002","1812.08","0.19","297","","297","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H66 Co2 Dy2 N28 O13 -","- C60 H66 Co2 Dy2 N28 O13 -","- C60 H66 Co2 Dy2 N28 O13 -","1","0.5","","Wang, Ruirui; Wang, Haili; Wang, Juan; Bai, Feifei; Ma, Yue; Li, Licun; Wang, Qinglun; Zhao, Bin; Cheng, Peng","The different magnetic relaxation behaviors in [Fe(CN)6]3− or [Co(CN)6]3− bridged 3d‒4f heterometallic compounds","CrystEngComm","2020","","","","","10.1039/D0CE00039F","","","0.71073","MoKα","","0.0404","0.0323","","","0.0669","0.0703","","","","","","1.15","","","","has coordinates","250830","2020-10-21","18:00:00",""
"7240313","11.839","0.003","12.878","0.003","12.889","0.003","77.337","0.008","70.373","0.007","87.128","0.008","1805.3","0.8","298.14","","298.14","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H66 Co2 Ho2 N28 O13 -","- C60 H66 Co2 Ho2 N28 O13 -","- C60 H66 Co2 Ho2 N28 O13 -","1","0.5","","Wang, Ruirui; Wang, Haili; Wang, Juan; Bai, Feifei; Ma, Yue; Li, Licun; Wang, Qinglun; Zhao, Bin; Cheng, Peng","The different magnetic relaxation behaviors in [Fe(CN)6]3− or [Co(CN)6]3− bridged 3d‒4f heterometallic compounds","CrystEngComm","2020","","","","","10.1039/D0CE00039F","","","0.71073","MoKα","","0.0614","0.0468","","","0.0964","0.1019","","","","","","1.149","","","","has coordinates","250830","2020-10-21","18:00:00",""
"7240314","11.8312","0.001","12.9358","0.0011","12.9377","0.0011","77.643","0.003","87.27","0.003","70.613","0.003","1823.9","0.3","297","","297","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H66 Fe2 N28 O13 Tb2 -","- C60 H66 Fe2 N28 O13 Tb2 -","- C60 H66 Fe2 N28 O13 Tb2 -","1","0.5","","Wang, Ruirui; Wang, Haili; Wang, Juan; Bai, Feifei; Ma, Yue; Li, Licun; Wang, Qinglun; Zhao, Bin; Cheng, Peng","The different magnetic relaxation behaviors in [Fe(CN)6]3− or [Co(CN)6]3− bridged 3d‒4f heterometallic compounds","CrystEngComm","2020","","","","","10.1039/D0CE00039F","","","0.71073","MoKα","","0.0686","0.0537","","","0.1017","0.1073","","","","","","1.144","","","","has coordinates","250830","2020-10-21","18:00:00",""
"7240315","11.856","0.0009","12.9142","0.0008","12.9156","0.0009","77.43","0.002","87.145","0.003","70.506","0.002","1818.9","0.2","299.37","","299.37","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H66 Fe2 Ho2 N28 O13 -","- C60 H66 Fe2 Ho2 N28 O13 -","- C60 H66 Fe2 Ho2 N28 O13 -","1","0.5","","Wang, Ruirui; Wang, Haili; Wang, Juan; Bai, Feifei; Ma, Yue; Li, Licun; Wang, Qinglun; Zhao, Bin; Cheng, Peng","The different magnetic relaxation behaviors in [Fe(CN)6]3− or [Co(CN)6]3− bridged 3d‒4f heterometallic compounds","CrystEngComm","2020","","","","","10.1039/D0CE00039F","","","0.71073","MoKα","","0.0682","0.053","","","0.0927","0.0989","","","","","","1.087","","","","has coordinates","250830","2020-10-21","18:00:00",""
"7240316","11.742","0.008","12.828","0.009","12.841","0.007","78.222","0.018","70.228","0.016","87.399","0.019","1781","2","113","","113","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H66 Co2 N28 O13 Tb2 -","- C60 H66 Co2 N28 O13 Tb2 -","- C60 H66 Co2 N28 O13 Tb2 -","1","0.5","","Wang, Ruirui; Wang, Haili; Wang, Juan; Bai, Feifei; Ma, Yue; Li, Licun; Wang, Qinglun; Zhao, Bin; Cheng, Peng","The different magnetic relaxation behaviors in [Fe(CN)6]3− or [Co(CN)6]3− bridged 3d‒4f heterometallic compounds","CrystEngComm","2020","","","","","10.1039/D0CE00039F","","","0.71073","MoKα","","0.0729","0.07","","","0.1763","0.1799","","","","","","1.064","","","","has coordinates","250830","2020-10-21","18:00:00",""
"7240317","11.7703","0.0008","12.8448","0.0008","12.8648","0.0007","78.099","0.005","87.212","0.005","70.357","0.006","1792","0.2","122.65","0.1","122.65","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C60 H66 Dy2 Fe2 N28 O13 -","- C60 H66 Dy2 Fe2 N28 O13 -","- C60 H66 Dy2 Fe2 N28 O13 -","1","0.5","","Wang, Ruirui; Wang, Haili; Wang, Juan; Bai, Feifei; Ma, Yue; Li, Licun; Wang, Qinglun; Zhao, Bin; Cheng, Peng","The different magnetic relaxation behaviors in [Fe(CN)6]3− or [Co(CN)6]3− bridged 3d‒4f heterometallic compounds","CrystEngComm","2020","","","","","10.1039/D0CE00039F","","","0.71073","MoKα","","0.0438","0.0363","","","0.0821","0.0859","","","","","","1.056","","","","has coordinates,has disorder","250830","2020-10-21","18:00:00",""
"7240318","18.629","0.003","5.2842","0.0008","22.841","0.004","90","","90","","90","","2248.5","0.6","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","(DL)-malic acid nicotinamide","(R, S)-2-hydroxysuccinic acid nicotinamide","","- C20 H24 N4 O12 -","- C20 H24 N4 O12 -","- C80 H96 N16 O48 -","4","1","","Scowen, Ian J.; Alomar, Taghrid Saad; Munshi, Tasnim; Seaton, Colin Cormack","Invitation to Submit: The Cambridge Structural Database Structural Similarity in Chiral-Achiral Multi-Component Crystals","CrystEngComm","2020","","","","","10.1039/D0CE00301H","","","0.71073","MoKα","","0.0631","0.0477","","","0.113","0.1197","","","","","","1.08","","","","has coordinates","250831","2020-10-21","18:00:00",""
"7240319","4.7631","0.0002","8.8253","0.0004","10.662","0.0005","96.829","0.003","95.279","0.003","105.603","0.003","424.99","0.03","173","2","173","2","","","","","","","","4","P 1","P 1","1","L-malic acid nicotinamide","(R)-2-hydroxysuccinic acid nicotinamide","","- C16 H18 N4 O7 -","- C16 H18 N4 O7 -","- C16 H18 N4 O7 -","1","1","","Scowen, Ian J.; Alomar, Taghrid Saad; Munshi, Tasnim; Seaton, Colin Cormack","Invitation to Submit: The Cambridge Structural Database Structural Similarity in Chiral-Achiral Multi-Component Crystals","CrystEngComm","2020","","","","","10.1039/D0CE00301H","","","0.71073","MoKα","","0.0516","0.037","","","0.0845","0.0919","","","","","","1.021","","","","has coordinates,has disorder","250831","2020-10-21","18:00:00",""
"7240320","5.3395","0.0005","11.3914","0.0015","11.6131","0.0013","78.849","0.009","82.062","0.008","81.076","0.009","680.36","0.14","173","2","173","2","","","","","","","","4","P -1","-P 1","2","DL-phenyllactic acid isonicotinamide","(R,S)-2-hydroxy-3-phenylpropionic acid isonicotinamide","","- C15 H16 N2 O4 -","- C15 H16 N2 O4 -","- C30 H32 N4 O8 -","2","1","","Scowen, Ian J.; Alomar, Taghrid Saad; Munshi, Tasnim; Seaton, Colin Cormack","Invitation to Submit: The Cambridge Structural Database Structural Similarity in Chiral-Achiral Multi-Component Crystals","CrystEngComm","2020","","","","","10.1039/D0CE00301H","","","0.71073","MoKα","","0.1038","0.0531","","","0.1298","0.1567","","","","","","0.79","","","","has coordinates","250831","2020-10-21","18:00:00",""
"7240321","5.304","0.0002","11.4994","0.0004","11.748","0.0005","80.398","0.003","81.767","0.003","82.135","0.003","694.52","0.05","173","2","173","2","","","","","","","","4","P 1","P 1","1","(L)-phenyllactic acid nictonamide","(S)-2hyrdoxy-3-phenylpropionic acid nicotinamide","","- C15 H16 N2 O4 -","- C15 H16 N2 O4 -","- C30 H32 N4 O8 -","2","2","","Scowen, Ian J.; Alomar, Taghrid Saad; Munshi, Tasnim; Seaton, Colin Cormack","Invitation to Submit: The Cambridge Structural Database Structural Similarity in Chiral-Achiral Multi-Component Crystals","CrystEngComm","2020","","","","","10.1039/D0CE00301H","","","1.54178","CuKα","","0.0689","0.0528","","","0.1276","0.1415","","","","","","1.071","","","","has coordinates","250831","2020-10-21","18:00:00",""
"7240322","8.6847","0.0017","9.1876","0.0018","27.083","0.005","90","","90","","90","","2161","0.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H11 N3 O2 -","- C11 H11 N3 O2 -","- C88 H88 N24 O16 -","8","1","","Zhang, Zhenfeng","An X-shaped cyano-carbonyl interaction on the polar surface of (cyanoacetyl)hydrazones","CrystEngComm","2020","","","","","10.1039/D0CE00359J","","","0.71073","MoKα","","0.0789","0.0436","","","0.1074","0.1278","","","","","","1.008","","","","has coordinates","250832","2020-10-21","18:00:00",""
"7240323","12.2","0.005","9.143","0.004","8.797","0.004","90","","102.02","0.008","90","","959.7","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","benzaldehyde (cyanoacetyl)hydrazone","2-cyano-N'-[(1E)-phenylmethylidene]acetohydrazide","","- C10 H9 N3 O -","- C10 H9 N3 O -","- C40 H36 N12 O4 -","4","1","","Zhang, Zhenfeng","An X-shaped cyano-carbonyl interaction on the polar surface of (cyanoacetyl)hydrazones","CrystEngComm","2020","","","","","10.1039/D0CE00359J","","","0.71073","MoKα","","0.0856","0.0433","","","0.0947","0.1124","","","","","","1.006","","","","has coordinates","250832","2020-10-21","18:00:00",""
"7240326","11.391","0.0008","18.0035","0.0013","11.849","0.001","90","","108.332","0.002","90","","2306.6","0.3","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H29 N5 O4 Zn -","- C21 H29 N5 O4 Zn -","- C84 H116 N20 O16 Zn4 -","4","1","","Mondal, Ipsita; Basak, Tanmoy; Banerjee, Snehasis; Chattopadhyay, Shouvik","A theoretical insight on the rigid hydrogen-bonded network in the solid state structure of two zinc(ii) complexes and their strong fluorescence behaviors","CrystEngComm","2020","","","","","10.1039/D0CE00125B","","","0.71073","MoKα","","0.0481","0.0327","","","0.1","0.12","","","","","","1.148","","","","has coordinates","250872","2020-10-21","18:00:00",""
"7240327","11.3882","0.0012","17.9996","0.0019","11.8463","0.0015","90","","108.327","0.004","90","","2305.1","0.5","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H29 N3 O4 S Zn -","- C22 H29 N3 O4 S Zn -","- C88 H116 N12 O16 S4 Zn4 -","4","1","","Mondal, Ipsita; Basak, Tanmoy; Banerjee, Snehasis; Chattopadhyay, Shouvik","A theoretical insight on the rigid hydrogen-bonded network in the solid state structure of two zinc(ii) complexes and their strong fluorescence behaviors","CrystEngComm","2020","","","","","10.1039/D0CE00125B","","","0.71073","MoKα","","0.0692","0.052","","","0.1605","0.1805","","","","","","1.139","","","","has coordinates","250872","2020-10-21","18:00:00",""
"7240329","8.2922","0.0006","9.4246","0.0007","12.9343","0.001","111.004","0.002","99.018","0.003","97.623","0.002","912.24","0.12","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 2-(1-benzyl-4-(4-methoxyphenyl)-1H-1,2,3-triazol-5-yl)-2-oxoacetate","","- C20 H19 N3 O4 -","- C20 H19 N3 O4 -","- C40 H38 N6 O8 -","2","1","","Ahmed, Muhammad Naeem; Ansar, Khawaja Yasin; Aziz, Shahid; Khan, Saba; Tahir, Muhammad Nawaz; Gil, Diego M.; Frontera, Antonio","Relevant π‒hole tetrel bonding interactions in ethyl 2-triazolyl-2-oxo-acetate derivatives: Hirshfeld surface analysis and DFT calculations","CrystEngComm","2020","","","","","10.1039/D0CE00335B","","","0.71073","MoKα","","0.0553","0.0456","","","0.1169","0.1259","","","","","","1.045","","","","has coordinates,has disorder","250907","2020-10-21","18:00:00",""
"7240330","28.5939","0.0014","7.5267","0.0004","19.389","0.0008","90","","121.964","0.001","90","","3540.2","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Ethyl 2-(1-benzyl-4-(4-flourophenyl)-1H-1,2,3-triazol-5-yl)-2-oxoacetate","","- C19 H16 F N3 O3 -","- C19 H16 F N3 O3 -","- C152 H128 F8 N24 O24 -","8","1","","Ahmed, Muhammad Naeem; Ansar, Khawaja Yasin; Aziz, Shahid; Khan, Saba; Tahir, Muhammad Nawaz; Gil, Diego M.; Frontera, Antonio","Relevant π‒hole tetrel bonding interactions in ethyl 2-triazolyl-2-oxo-acetate derivatives: Hirshfeld surface analysis and DFT calculations","CrystEngComm","2020","","","","","10.1039/D0CE00335B","","","0.71073","MoKα","","0.089","0.0524","","","0.1365","0.1614","","","","","","1.043","","","","has coordinates,has disorder","250907","2020-10-21","18:00:00",""
"7240331","8.3157","0.0006","9.5082","0.0008","13.1245","0.001","68.898","0.004","86.538","0.004","85.332","0.004","964.38","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 2-(1-benzyl-4-(4-chlorophenyl)-1H-1,2,3-triazol-5-yl)-2-oxoacetate","","- C20 H18 Cl N3 O3 -","- C20 H18 Cl N3 O3 -","- C40 H36 Cl2 N6 O6 -","2","1","","Ahmed, Muhammad Naeem; Ansar, Khawaja Yasin; Aziz, Shahid; Khan, Saba; Tahir, Muhammad Nawaz; Gil, Diego M.; Frontera, Antonio","Relevant π‒hole tetrel bonding interactions in ethyl 2-triazolyl-2-oxo-acetate derivatives: Hirshfeld surface analysis and DFT calculations","CrystEngComm","2020","","","","","10.1039/D0CE00335B","","","0.71073","MoKα","","0.0789","0.0569","","","0.1503","0.1683","","","","","","1.056","","","","has coordinates","250907","2020-10-21","18:00:00",""
"7240332","8.2517","0.0003","17.9945","0.0009","12.2748","0.0006","90","","99.877","0.002","90","","1795.61","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-(1-(4-methylbenzyl)-4-phenyl-1H-1,2,3-triazol-5-yl)-2-oxoacetate","","- C20 H19 N3 O3 -","- C20 H19 N3 O3 -","- C80 H76 N12 O12 -","4","1","","Ahmed, Muhammad Naeem; Ansar, Khawaja Yasin; Aziz, Shahid; Khan, Saba; Tahir, Muhammad Nawaz; Gil, Diego M.; Frontera, Antonio","Relevant π‒hole tetrel bonding interactions in ethyl 2-triazolyl-2-oxo-acetate derivatives: Hirshfeld surface analysis and DFT calculations","CrystEngComm","2020","","","","","10.1039/D0CE00335B","","","0.71073","MoKα","","0.0796","0.0532","","","0.1483","0.1671","","","","","","1.044","","","","has coordinates","250907","2020-10-21","18:00:00",""
"7240333","7.2372","0.0011","12.786","0.0019","14.237","0.002","68.774","0.003","78.572","0.004","81.97","0.004","1200.4","0.3","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H12 Cl2 N4 O5 Zn -","- C24 H12 Cl2 N4 O5 Zn -","- C48 H24 Cl4 N8 O10 Zn2 -","2","1","","Hao, Pengfei; Zhu, Huihui; Pang, Yue; Shen, Junju; Fu, Yunlong","The impact of positional isomerism on electronic and photochromic properties of 1-D zinc-based naphthalene diimide coordination polymers","CrystEngComm","2020","","","","","10.1039/D0CE00025F","","","0.71073","MoKα","","0.139","0.07","","","0.167","0.1936","","","","","","1.093","","","","has coordinates","250908","2020-10-21","18:00:00",""
"7240334","7.574","0.0008","12.2366","0.0012","15.0059","0.0015","90","","93.741","0.003","90","","1387.8","0.2","273","2","273","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C28 H21 Cl2 N5 O5 Zn -","- C28 H21 Cl2 N5 O5 Zn -","- C56 H42 Cl4 N10 O10 Zn2 -","2","0.5","","Hao, Pengfei; Zhu, Huihui; Pang, Yue; Shen, Junju; Fu, Yunlong","The impact of positional isomerism on electronic and photochromic properties of 1-D zinc-based naphthalene diimide coordination polymers","CrystEngComm","2020","","","","","10.1039/D0CE00025F","","","0.71073","MoKα","","0.0392","0.032","","","0.0839","0.0879","","","","","","1.046","","","","has coordinates","250908","2020-10-21","18:00:00",""
"7240340","14.3462","0.0009","8.6625","0.0004","15.5482","0.0008","90","","103.643","0.005","90","","1877.72","0.18","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H23 N3 O4 S -","- C19 H23 N3 O4 S -","- C76 H92 N12 O16 S4 -","4","1","","Bhat, Ishtiyaq Ahmad; Ganie, Arshid A.; Dar, Aijaz A. A.","Achievement of enhanced solubility and improved optics in the molecular complexes based on sulfonate-pyridinium supramolecular synthon","CrystEngComm","2020","","","","","10.1039/D0CE00346H","","x-ray","0.71073","MoKα","","0.0688","0.0547","","","0.1302","0.1425","","","","","","1.041","","","","has coordinates","250961","2020-10-21","18:00:00",""
"7240341","10.7014","0.0003","16.4238","0.0002","17.7316","0.0004","90","","84.66","0.001","90","","3102.94","0.12","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H34 N4 O11 S2 -","- C31 H34 N4 O11 S2 -","- C124 H136 N16 O44 S8 -","4","0.5","","Bhat, Ishtiyaq Ahmad; Ganie, Arshid A.; Dar, Aijaz A. A.","Achievement of enhanced solubility and improved optics in the molecular complexes based on sulfonate-pyridinium supramolecular synthon","CrystEngComm","2020","","","","","10.1039/D0CE00346H","","","0.71073","MoKα","","0.0385","0.0348","","","0.0911","0.0941","","","","","","1.044","","","","has coordinates","250961","2020-10-21","18:00:00",""
"7240342","7.3522","0.0003","8.8174","0.0004","32.2124","0.0015","90","","95.683","0.004","90","","2077.98","0.16","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 N3 O5 S -","- C23 H25 N3 O5 S -","- C92 H100 N12 O20 S4 -","4","1","","Bhat, Ishtiyaq Ahmad; Ganie, Arshid A.; Dar, Aijaz A. A.","Achievement of enhanced solubility and improved optics in the molecular complexes based on sulfonate-pyridinium supramolecular synthon","CrystEngComm","2020","","","","","10.1039/D0CE00346H","","","0.71073","MoKα","","0.0872","0.0575","","","0.1234","0.1496","","","","","","1.072","","","","has coordinates","250961","2020-10-21","18:00:00",""
"7240343","16.3837","0.0003","17.112","0.0004","13.3343","0.0003","90","","96.683","0.001","90","","3712.97","0.14","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H19 Cu N O13.75 -","- C12 H19 Cu N O13.75 -","- C96 H152 Cu8 N8 O110 -","8","1","","Tu, Jing; Chen, Hongjuan; Tian, Hongju; Yu, Xiangyong; Zheng, Baishu; Zhang, Shaowei; Ma, Pengtao","Temperature-Induced Structural Transformations Accompanied by Changes in Magnetic Properties of Two Copper Coordination Polymers","CrystEngComm","2020","","","","","10.1039/D0CE00391C","","","0.71073","MoKα","","0.0929","0.0752","","","0.157","0.17","","","","","","1.17","","","","has coordinates,has disorder","250962","2020-10-21","18:00:00",""
"7240344","7.514","0.0004","9.0832","0.0005","11.5882","0.0007","73.946","0.002","89.605","0.002","87.875","0.002","759.54","0.07","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H13 Cu2 N O11 -","- C12 H13 Cu2 N O11 -","- C24 H26 Cu4 N2 O22 -","2","1","","Tu, Jing; Chen, Hongjuan; Tian, Hongju; Yu, Xiangyong; Zheng, Baishu; Zhang, Shaowei; Ma, Pengtao","Temperature-Induced Structural Transformations Accompanied by Changes in Magnetic Properties of Two Copper Coordination Polymers","CrystEngComm","2020","","","","","10.1039/D0CE00391C","","","0.71073","MoKα","","0.0506","0.0374","","","0.0844","0.0929","","","","","","1.044","","","","has coordinates","250962","2020-10-21","18:00:00",""
"7240345","17.4385","0.0006","4.8748","0.0002","25.7168","0.0009","90","","90","","90","","2186.16","0.14","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","Chloroquinolin","3-((7-chloroquinolin-4-yl)oxy)propan-1-ol","","- C12 H12 Cl N O2 -","- C12 H12 Cl N O2 -","- C96 H96 Cl8 N8 O16 -","8","2","","Pereira Copetti, João Pedro; Salbego, Paulo Roberto dos Santos; Orlando, Tainára; Rosa, Jéssica Maria Luis; Fiss, Gabriela Fehn; Gomes de Oliveira, João Paulo; de Almeida Vasconcellos, Mário Luiz Araújo; Zanatta, Nilo; Bonacorso, Helio Gauze; Martins, Marcos A. P.","Substituent Effects in the Crystallization Mechanisms of 7-chloro-4-substituted-Quinolines","CrystEngComm","2020","","","","","10.1039/D0CE00214C","","","0.71073","MoKα","","0.0292","0.0266","","","0.0682","0.0696","","","","","","1.04","","","","has coordinates","250963","2020-10-21","18:00:00",""
"7240346","4.3139","0.0002","25.5732","0.0014","9.571","0.0005","90","","102.074","0.002","90","","1032.52","0.09","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","2-((7-chloroquinolin-4-yl)oxy)ethan-1-ol","2-((7-chloroquinolin-4-yl)oxy)ethan-1-ol","","- C11 H10 Cl N O2 -","- C11 H10 Cl N O2 -","- C44 H40 Cl4 N4 O8 -","4","2","","Pereira Copetti, João Pedro; Salbego, Paulo Roberto dos Santos; Orlando, Tainára; Rosa, Jéssica Maria Luis; Fiss, Gabriela Fehn; Gomes de Oliveira, João Paulo; de Almeida Vasconcellos, Mário Luiz Araújo; Zanatta, Nilo; Bonacorso, Helio Gauze; Martins, Marcos A. P.","Substituent Effects in the Crystallization Mechanisms of 7-chloro-4-substituted-Quinolines","CrystEngComm","2020","","","","","10.1039/D0CE00214C","","","0.71073","MoKα","","0.0624","0.0411","","","0.0786","0.0844","","","","","","1.021","","","","has coordinates","250963","2020-10-21","18:00:00",""
"7240347","4.5838","0.0002","14.8986","0.0007","14.9416","0.0007","90","","93.484","0.001","90","","1018.51","0.08","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","aminoquinolina","2-((7-chloroquinolin-4-yl)amino)ethanol","","- C11 H11 Cl N2 O -","- C11 H11 Cl N2 O -","- C44 H44 Cl4 N8 O4 -","4","1","","Pereira Copetti, João Pedro; Salbego, Paulo Roberto dos Santos; Orlando, Tainára; Rosa, Jéssica Maria Luis; Fiss, Gabriela Fehn; Gomes de Oliveira, João Paulo; de Almeida Vasconcellos, Mário Luiz Araújo; Zanatta, Nilo; Bonacorso, Helio Gauze; Martins, Marcos A. P.","Substituent Effects in the Crystallization Mechanisms of 7-chloro-4-substituted-Quinolines","CrystEngComm","2020","","","","","10.1039/D0CE00214C","","","0.56086","AgKα","","0.0434","0.0341","","","0.0953","0.1008","","","","","","1.045","","","","has coordinates","250963","2020-10-21","18:00:00",""
"7240367","6.8569","0.0003","9.5546","0.0006","12.4049","0.0006","96.102","0.005","104.127","0.004","93.993","0.005","779.8","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H16 I N O -","- C18 H16 I N O -","- C36 H32 I2 N2 O2 -","2","1","","He, Xinrui; Zhao, Jian; Tan, Zeqing; Zhao, Jiaxin; Cheng, Xiao; Zhou, Chuanjian","Chalcone single crystals with red emission and photodimerization-triggered hopping behavior: the substituent effect and molecular packing effect","CrystEngComm","2020","","","","","10.1039/D0CE00404A","","x-ray","1.54184","CuKα","","0.0374","0.0306","","","0.0744","0.0811","","","","","","1.076","","","","has coordinates","250996","2020-10-21","18:00:00",""
"7240368","7.113","0.0002","7.7595","0.0003","20.7174","0.0005","98.092","0.002","98.334","0.002","95.893","0.003","1111.25","0.06","293","3","293","3","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 I N O -","- C28 H20 I N O -","- C56 H40 I2 N2 O2 -","2","1","","He, Xinrui; Zhao, Jian; Tan, Zeqing; Zhao, Jiaxin; Cheng, Xiao; Zhou, Chuanjian","Chalcone single crystals with red emission and photodimerization-triggered hopping behavior: the substituent effect and molecular packing effect","CrystEngComm","2020","","","","","10.1039/D0CE00404A","","x-ray","1.54184","CuKα","","0.0587","0.0499","","","0.1336","0.1414","","","","","","1.079","","","","has coordinates","250996","2020-10-21","18:00:00",""
"7240374","16.4079","0.0008","22.3318","0.001","43.2705","0.0019","90","","90","","90","","15855.1","1.3","120","2","120.01","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C72 H72 Cs4.5 Mo10 Na2.5 O110.5 P4 -","- C72 H72 Cs4.5 Mo10 Na2.5 O110.5 P4 -","- C288 H288 Cs18 Mo40 Na10 O442 P16 -","4","1","","Yang, Peng; Alshankiti, Buthainah; Khashab, Niveen M.","Intrinsically porous molecular building blocks for metal organic frameworks tailored by the bridging effect of counter cations","CrystEngComm","2020","","","","","10.1039/D0CE00397B","","","0.71073","MoKα","","0.0469","0.0465","","","0.1306","0.131","","","","","","1.044","","","","has coordinates,has disorder","251064","2020-10-21","18:00:00",""
"7240375","19.0337","0.0007","16.6107","0.0005","43.9445","0.0016","90","","93.491","0.002","90","","13867.8","0.8","120","2","119.98","","","","","","","","","7","I 1 2 1","I 2y","5","","","","- C48 H60 Cs5.5 Mo10 Na6 O102 P4 -","- C48 H60 Cs5.5 Mo10 Na6 O102 P4 -","- C192 H240 Cs22 Mo40 Na24 O408 P16 -","4","1","","Yang, Peng; Alshankiti, Buthainah; Khashab, Niveen M.","Intrinsically porous molecular building blocks for metal organic frameworks tailored by the bridging effect of counter cations","CrystEngComm","2020","","","","","10.1039/D0CE00397B","","","0.71073","MoKα","","0.0325","0.032","","","0.0904","0.0907","","","","","","1.034","","","","has coordinates,has disorder","251064","2020-10-21","18:00:00",""
"7240376","16.3345","0.0007","43.377","0.0019","22.8979","0.0011","90","","93.6564","0.0018","90","","16191.1","1.3","150","2","150","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C144 H156 K11.5 Mo20 Na3 O239 P8 -","- C144 H156 K11.5 Mo20 Na3 O239 P8 -","- C288 H312 K23 Mo40 Na6 O478 P16 -","2","1","","Yang, Peng; Alshankiti, Buthainah; Khashab, Niveen M.","Intrinsically porous molecular building blocks for metal organic frameworks tailored by the bridging effect of counter cations","CrystEngComm","2020","","","","","10.1039/D0CE00397B","","","0.71073","MoKα","","0.0551","0.0531","","","0.1458","0.1478","","","","","","1.028","","","","has coordinates,has disorder","251064","2020-10-21","18:00:00",""
"7240377","44.727","0.003","17.6015","0.001","32.7474","0.0018","90","","92.424","0.002","90","","25758","3","120","2","119.95","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C96 H114 Mo20 Na23 O210.5 P8 -","- C96 H114 Mo20 Na23 O210.5 P8 -","- C384 H456 Mo80 Na92 O842 P32 -","4","1","","Yang, Peng; Alshankiti, Buthainah; Khashab, Niveen M.","Intrinsically porous molecular building blocks for metal organic frameworks tailored by the bridging effect of counter cations","CrystEngComm","2020","","","","","10.1039/D0CE00397B","","","0.71073","MoKα","","0.053","0.0524","","","0.1406","0.1412","","","","","","1.032","","","","has coordinates,has disorder","251064","2020-10-21","18:00:00",""
"7240378","36.048","0.002","16.1202","0.0009","47.517","0.003","90","","111.956","0.004","90","","25609","3","130","2","130.15","","","","","","","","","7","I 1 2 1","I 2y","5","","","","- C96 H110 K20 Mo20 Na1.5 O193 P8 -","- C96 H110 K20 Mo20 Na1.5 O193 P8 -","- C384 H440 K80 Mo80 Na6 O772 P32 -","4","1","","Yang, Peng; Alshankiti, Buthainah; Khashab, Niveen M.","Intrinsically porous molecular building blocks for metal organic frameworks tailored by the bridging effect of counter cations","CrystEngComm","2020","","","","","10.1039/D0CE00397B","","","0.71073","MoKα","","0.0454","0.0449","","","0.1223","0.1226","","","","","","1.067","","","","has coordinates,has disorder","251064","2020-10-21","18:00:00",""
"7240379","16.2743","0.0014","23.885","0.002","23.974","0.002","100.808","0.003","95.617","0.003","91.227","0.003","9102.2","1.3","120","2","120.04","","","","","","","","","6","P 1","P 1","1","","","","- C168 H192 Mo20 Na17 O265 P8 -","- C168 H192 Mo20 Na17 O265 P8 -","- C168 H192 Mo20 Na17 O265 P8 -","1","1","","Yang, Peng; Alshankiti, Buthainah; Khashab, Niveen M.","Intrinsically porous molecular building blocks for metal organic frameworks tailored by the bridging effect of counter cations","CrystEngComm","2020","","","","","10.1039/D0CE00397B","","","0.71073","MoKα","","0.068","0.0671","","","0.1833","0.1842","","","","","","1.037","","","","has coordinates,has disorder","251064","2020-10-21","18:00:00",""
"7240380","16.4104","0.001","22.5164","0.0013","24.1911","0.0016","82.942","0.002","70.254","0.002","82.498","0.002","8311.3","0.9","150","2","150","","","","","","","","","6","P 1","P 1","1","","","","- C152 H183 Mo20 Na21 O266 P8 -","- C152 H183 Mo20 Na21 O266 P8 -","- C152 H183 Mo20 Na21 O266 P8 -","1","1","","Yang, Peng; Alshankiti, Buthainah; Khashab, Niveen M.","Intrinsically porous molecular building blocks for metal organic frameworks tailored by the bridging effect of counter cations","CrystEngComm","2020","","","","","10.1039/D0CE00397B","","","0.71073","MoKα","","0.0427","0.042","","","0.1085","0.109","","","","","","1.033","","","","has coordinates,has disorder","251064","2020-10-21","18:00:00",""
"7240382","24.0649","0.0006","30.3771","0.0007","18.2553","0.0005","90","","90","","90","","13345","0.6","293","2","296","","","","","","","","","8","P n n a","-P 2a 2bc","52","","","","- C60 H96 Co3 F20 N30 O90 V2 W18 -","- C60 H40 Co3 F20 N30 O64 V2 W18 -","- C240 H160 Co12 F80 N120 O256 V8 W72 -","4","0.5","","Shen, Nan; Feng, Tian; Chang, Jun; Huang, Kunlin; Zhang, Zhi-Hui; Feng, Xuejun; Gu, Jiande; Chen, Sheng-Chun; He, Mingyang; Chen, Qun","An unprecedented cobalt(II)-containing Wells-Dawson-type tungstovanadate-based metal-organic framework as efficient catalyst for ring-opening polymerization of -caprolactone","CrystEngComm","2020","","","","","10.1039/D0CE00309C","","","0.71073","MoKα","","0.0782","0.0607","","","0.1607","0.1784","","","","","","1.02","","","","has coordinates","251113","2020-10-21","18:00:00",""
"7240383","7.8352","0.0006","8.9191","0.0007","9.4663","0.0007","111.55","0.007","107.076","0.007","100.662","0.006","555.34","0.09","150.01","0.1","150.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C11 H9 F N2 O6 -","- C11 H9 F N2 O6 -","- C22 H18 F2 N4 O12 -","2","1","","Dai, Xia-Lin; Wu, Chao; Li, Jin-Hui; Liu, Lian-Chao; He, Xin; Lu, Tong-Bu; Chen, Jia-Mei","Modulating the solubility and pharmacokinetic property of 5-fluorouracil via cocrystals","CrystEngComm","2020","","","","","10.1039/D0CE00409J","","x-ray","1.54184","CuKα","","0.093","0.09","","","0.2227","0.2295","","","","","","1.023","","","","has coordinates","251114","2020-10-21","18:00:00",""
"7240384","7.2314","0.0004","9.9761","0.0006","10.2732","0.0005","103.754","0.005","102.275","0.005","108.186","0.005","650.04","0.07","150","10","150","10","","","","","","","","5","P -1","-P 1","2","","","","- C11 H13 F N2 O8 -","- C11 H13 F N2 O8 -","- C22 H26 F2 N4 O16 -","2","1","","Dai, Xia-Lin; Wu, Chao; Li, Jin-Hui; Liu, Lian-Chao; He, Xin; Lu, Tong-Bu; Chen, Jia-Mei","Modulating the solubility and pharmacokinetic property of 5-fluorouracil via cocrystals","CrystEngComm","2020","","","","","10.1039/D0CE00409J","","x-ray","1.54184","CuKα","","0.0484","0.0404","","","0.0988","0.1075","","","","","","1.097","","","","has coordinates","251114","2020-10-21","18:00:00",""
"7240385","9.5121","0.0004","5.5084","0.0003","21.2993","0.0008","90","","94.115","0.004","90","","1113.13","0.09","150","10","150","10","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H9 F N2 O6 -","- C11 H9 F N2 O6 -","- C44 H36 F4 N8 O24 -","4","1","","Dai, Xia-Lin; Wu, Chao; Li, Jin-Hui; Liu, Lian-Chao; He, Xin; Lu, Tong-Bu; Chen, Jia-Mei","Modulating the solubility and pharmacokinetic property of 5-fluorouracil via cocrystals","CrystEngComm","2020","","","","","10.1039/D0CE00409J","","x-ray","1.54178","CuKα","","0.0469","0.0393","","","0.106","0.1121","","","","","","1.131","","","","has coordinates","251114","2020-10-21","18:00:00",""
"7240386","12.0896","0.0001","13.6597","0.0002","17.8304","0.0002","90","","101.535","0.001","90","","2885.05","0.06","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 Br2 Cu4 N9 O -","- C25 H25 Br2 Cu4 N9 O -","- C100 H100 Br8 Cu16 N36 O4 -","4","1","","Yang, Chih-Tung; Yang, Xiang-Kai; Hu, Ji-Hong; Lee, Wei-Te; Chen, Tsun-Ren; Wang, Chih-Chieh; Chen, Jhy-Der","One-dimensional chains based on linear tetranuclear copper(I) units: reversible structural transformation and luminescence change","CrystEngComm","2020","","","","","10.1039/D0CE00294A","","","0.71073","MoKα","","0.0926","0.0422","","","0.0906","0.1064","","","","","","1.024","","","","has coordinates","251115","2020-10-21","18:00:00",""
"7240387","7.0225","0.0001","8.3565","0.0002","11.6598","0.0002","87.609","0.001","79.128","0.001","72.938","0.001","642.31","0.02","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 Cu4 I2 N8 -","- C22 H18 Cu4 I2 N8 -","- C22 H18 Cu4 I2 N8 -","1","0.5","","Yang, Chih-Tung; Yang, Xiang-Kai; Hu, Ji-Hong; Lee, Wei-Te; Chen, Tsun-Ren; Wang, Chih-Chieh; Chen, Jhy-Der","One-dimensional chains based on linear tetranuclear copper(I) units: reversible structural transformation and luminescence change","CrystEngComm","2020","","","","","10.1039/D0CE00294A","","","0.71073","MoKα","","0.0405","0.0279","","","0.0525","0.0564","","","","","","1.061","","","","has coordinates","251115","2020-10-21","18:00:00",""
"7240396","5.8035","0.0006","12.8761","0.0015","13.1702","0.0013","66.778","0.004","82.336","0.005","86.696","0.005","896.34","0.17","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C46 H38 O8 -","- C46 H38 O8 -","- C46 H38 O8 -","1","0.5","","Yu, Yu'e; Wang, Yuhao; Xu, Hai-Jun; Lu, Jing; Wang, Huaiwei; Li, Dacheng; Dou, Jianmin; Li, Yun-Wu; Wang, Suna","Dual-responsive luminescent sensors based on two Cd-MOFs: rare enhancement toward acac and quenching toward Cr2O72-","CrystEngComm","2020","","","","","10.1039/D0CE00405G","","","0.71073","MoKα","","0.0376","0.0342","","","0.0888","0.0914","","","","","","1.025","","","","has coordinates","251165","2020-10-21","18:00:00",""
"7240397","10.369","0.0009","10.4966","0.0009","15.0556","0.0013","101.026","0.002","95.922","0.001","96.615","0.001","1584.5","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H34 Cd N4 O9 -","- C31 H34 Cd N4 O9 -","- C62 H68 Cd2 N8 O18 -","2","1","","Yu, Yu'e; Wang, Yuhao; Xu, Hai-Jun; Lu, Jing; Wang, Huaiwei; Li, Dacheng; Dou, Jianmin; Li, Yun-Wu; Wang, Suna","Dual-responsive luminescent sensors based on two Cd-MOFs: rare enhancement toward acac and quenching toward Cr2O72-","CrystEngComm","2020","","","","","10.1039/D0CE00405G","","","0.71073","MoKα","","0.0669","0.0523","","","0.1365","0.1452","","","","","","0.983","","","","has coordinates","251165","2020-10-21","18:00:00",""
"7240403","6.593","0.0005","17.391","0.0013","6.667","0.0004","90","","96.506","0.002","90","","759.51","0.09","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H4 K N3 O5 -","- C4 H4 K N3 O5 -","- C16 H16 K4 N12 O20 -","4","1","","Yang, Zhen-Li; Qin, Jian; Yang , Jun- Qing; Zhang, Jianguo","Synthesis and investigation alkaline energetic coordination polymers based on 1,2,3-triazole-4,5-dicarboxylic acid for green component of pyrotechnic","CrystEngComm","2020","","","","","10.1039/D0CE00317D","","","0.71073","MoKα","","0.0585","0.0434","","","0.1086","0.1168","","","","","","1.015","","","","has coordinates","251198","2020-10-21","18:00:00",""
"7240404","8.5165","0.0007","10.349","0.0009","7.679","0.0006","90","","98.841","0.002","90","","668.76","0.1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H2 N3 O4 Rb -","- C4 H2 N3 O4 Rb -","- C16 H8 N12 O16 Rb4 -","4","1","","Yang, Zhen-Li; Qin, Jian; Yang , Jun- Qing; Zhang, Jianguo","Synthesis and investigation alkaline energetic coordination polymers based on 1,2,3-triazole-4,5-dicarboxylic acid for green component of pyrotechnic","CrystEngComm","2020","","","","","10.1039/D0CE00317D","","","0.71073","MoKα","","0.0445","0.0337","","","0.0754","0.0785","","","","","","1.051","","","","has coordinates","251198","2020-10-21","18:00:00",""
"7240405","8.4707","0.0006","10.5631","0.0009","8.1634","0.0007","90","","97.822","0.001","90","","723.64","0.1","298","2","298.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H2 Cs N3 O4 -","- C4 H2 Cs N3 O4 -","- C16 H8 Cs4 N12 O16 -","4","1","","Yang, Zhen-Li; Qin, Jian; Yang , Jun- Qing; Zhang, Jianguo","Synthesis and investigation alkaline energetic coordination polymers based on 1,2,3-triazole-4,5-dicarboxylic acid for green component of pyrotechnic","CrystEngComm","2020","","","","","10.1039/D0CE00317D","","","0.71073","MoKα","","0.1618","0.0944","","","0.2263","0.2655","","","","","","1.048","","","","has coordinates","251198","2020-10-21","18:00:00",""
"7240406","5.158","0.0004","8.074","0.0006","10.088","0.0008","68.653","0.001","77.889","0.001","85.133","0.002","382.57","0.05","298","2","298.15","","","","","","","","","5","P -1","-P 1","2","","","","- C8 H12 Li2 N6 O12 -","- C8 H12 Li2 N6 O12 -","- C8 H12 Li2 N6 O12 -","1","0.5","","Yang, Zhen-Li; Qin, Jian; Yang , Jun- Qing; Zhang, Jianguo","Synthesis and investigation alkaline energetic coordination polymers based on 1,2,3-triazole-4,5-dicarboxylic acid for green component of pyrotechnic","CrystEngComm","2020","","","","","10.1039/D0CE00317D","","","0.71073","MoKα","","0.0594","0.0493","","","0.1422","0.1504","","","","","","1.093","","","","has coordinates","251198","2020-10-21","18:00:00",""
"7240407","7.2918","0.0005","5.987","0.0004","36.209","0.002","90","","90","","90","","1580.74","0.17","100","","100","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C23 H16 O2 -","- C23 H16 O2 -","- C92 H64 O8 -","4","1","","Kusakawa, Takumi; Goto, Takayuki; Hori, Akiko","Supramolecular association of M2+⋯π induced by different electrostatic properties using naphthyl substituted β-diketonate complexes (metal = Cu, Pd, Pt)","CrystEngComm","2020","","","","","10.1039/D0CE00416B","","","0.71073","MoKα","","0.0879","0.0741","","","0.2017","0.2197","","","","","","1.13","","","","has coordinates,has disorder","251199","2020-10-21","18:00:00",""
"7240408","15.8989","0.0017","6.0142","0.0006","17.7912","0.0019","90","","97.217","0.005","90","","1687.7","0.3","200","","200","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H30 O4 Pt -","- C46 H30 O4 Pt -","- C92 H60 O8 Pt2 -","2","0.5","","Kusakawa, Takumi; Goto, Takayuki; Hori, Akiko","Supramolecular association of M2+⋯π induced by different electrostatic properties using naphthyl substituted β-diketonate complexes (metal = Cu, Pd, Pt)","CrystEngComm","2020","","","","","10.1039/D0CE00416B","","","0.71073","MoKα","","0.0962","0.0458","","","0.0728","0.0912","","","","","","1.032","","","","has coordinates","251199","2020-10-21","18:00:00",""
"7240409","13.093","0.007","5.92","0.004","21.808","0.012","90","","102.07","0.011","90","","1653","1.7","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H30 Cu O4 -","- C46 H30 Cu O4 -","- C92 H60 Cu2 O8 -","2","0.5","","Kusakawa, Takumi; Goto, Takayuki; Hori, Akiko","Supramolecular association of M2+⋯π induced by different electrostatic properties using naphthyl substituted β-diketonate complexes (metal = Cu, Pd, Pt)","CrystEngComm","2020","","","","","10.1039/D0CE00416B","","","0.71073","MoKα","","0.0792","0.0452","","","0.0891","0.1048","","","","","","1.078","","","","has coordinates","251199","2020-10-21","18:00:00",""
"7240410","35.924","0.006","6.0389","0.0011","16.287","0.003","90","","109.919","0.005","90","","3321.9","1","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C46 H30 O4 Pd -","- C46 H30 O4 Pd -","- C184 H120 O16 Pd4 -","4","0.5","","Kusakawa, Takumi; Goto, Takayuki; Hori, Akiko","Supramolecular association of M2+⋯π induced by different electrostatic properties using naphthyl substituted β-diketonate complexes (metal = Cu, Pd, Pt)","CrystEngComm","2020","","","","","10.1039/D0CE00416B","","","0.71073","MoKα","","0.0816","0.0453","","","0.091","0.1095","","","","","","1.046","","","","has coordinates","251199","2020-10-21","18:00:00",""
"7240417","19.6366","0.0009","21.2636","0.0011","11.5383","0.0006","90","","101.743","0.002","90","","4716.9","0.4","273","2","273.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H10 F6 N2 O7 Tb -","- C24 H10 F6 N2 O7 Tb -","- C192 H80 F48 N16 O56 Tb8 -","8","1","","Yu, Hai-Huan; Chi, Jia-Qi; Su, Zhong-Min; Li, Xiao; Sun, Jing; Zhou, Chen; Hu, Xiao-Li; Liu, Qun","A water-stable terbium metal-organic framework with functionalized ligands for the detection of Fe3+, Cr2O72- ions in water and picric acid in seawater","CrystEngComm","2020","","","","","10.1039/D0CE00430H","","x-ray","0.71073","MoKα","","0.0368","0.0292","","","0.0691","0.0731","","","","","","1.042","","","","has coordinates","251252","2020-10-21","18:00:00",""
"7240418","21.824","0.006","22.95","0.006","14.977","0.004","90","","90","","90","","7501","3","173","2","173","2","","","","","","","","5","F m m 2","F 2 -2","42","","","","- C24 H16 Cu2 N4 O10 -","- C24 H16 Cu2 N4 O10 -","- C192 H128 Cu16 N32 O80 -","8","0.5","","He, Cheng; Hou, Chao; Wang, Yumin; Gong, Xue Yong; Jiang, Hong Li; Sun, YongBin; Liu, Kun; Cao, Xiao Qun","Open metal sites(OMSs) and Lewis basic sites(LBSs) -functionalized copper-organic framework with high CO2 uptake performance and highly selective CO2/N2 and CO2/CH4 separation","CrystEngComm","2020","","","","","10.1039/C9CE02005E","","","0.71073","MoKα","","0.0656","0.0637","","","0.185","0.1864","","","","","","1.11","","","","has coordinates,has disorder","251253","2020-10-21","18:00:00",""
"7240419","12.632","0.003","16.415","0.003","20.567","0.004","90","","90","","90","","4264.7","1.5","113","2","113.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10.5 H15 N12 O16.5 -","- C10.5 H15 N12 O16.5 -","- C84 H120 N96 O132 -","8","2","","Pan, Bochen; Wang, Zhanzhong; Shen, Yichun; Wei, Liangxiao; Wei, Hongyuan; Dang, Leping","Solvatomorphism and Phase Transformation of CL-20: Probing Properties and Investigating Mechanisms","CrystEngComm","2020","","","","","10.1039/D0CE00059K","","","0.71073","MoKα","","0.052","0.0426","","","0.0864","0.0918","","","","","","0.989","","","","has coordinates","251254","2020-10-21","18:00:00",""
"7240420","13.344","0.003","8.2595","0.0017","24.392","0.005","90","","103.25","0.03","90","","2616.8","1","113","2","113.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H24 N14 O14 -","- C14 H24 N14 O14 -","- C56 H96 N56 O56 -","4","2","","Pan, Bochen; Wang, Zhanzhong; Shen, Yichun; Wei, Liangxiao; Wei, Hongyuan; Dang, Leping","Solvatomorphism and Phase Transformation of CL-20: Probing Properties and Investigating Mechanisms","CrystEngComm","2020","","","","","10.1039/D0CE00059K","","","0.71073","MoKα","","0.0785","0.0591","","","0.1434","0.1552","","","","","","1","","","","has coordinates,has disorder","251254","2020-10-21","18:00:00",""
"7240421","16.135","0.003","12.819","0.003","20.762","0.004","90","","90","","90","","4294.3","1.5","113","2","113.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H16 N12 O16 S -","- C10 H16 N12 O16 S -","- C80 H128 N96 O128 S8 -","8","1","","Pan, Bochen; Wang, Zhanzhong; Shen, Yichun; Wei, Liangxiao; Wei, Hongyuan; Dang, Leping","Solvatomorphism and Phase Transformation of CL-20: Probing Properties and Investigating Mechanisms","CrystEngComm","2020","","","","","10.1039/D0CE00059K","","","0.71073","MoKα","","0.067","0.0611","","","0.1842","0.1905","","","","","","1.066","","","","has coordinates","251254","2020-10-21","18:00:00",""
"7240422","7.9666","0.0016","18.078","0.004","15.915","0.003","90","","96.91","0.03","90","","2275.4","0.8","113","2","113.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 N12 O16 -","- C12 H16 N12 O16 -","- C48 H64 N48 O64 -","4","1","","Pan, Bochen; Wang, Zhanzhong; Shen, Yichun; Wei, Liangxiao; Wei, Hongyuan; Dang, Leping","Solvatomorphism and Phase Transformation of CL-20: Probing Properties and Investigating Mechanisms","CrystEngComm","2020","","","","","10.1039/D0CE00059K","","","0.71073","MoKα","","0.0624","0.0443","","","0.101","0.1111","","","","","","1.027","","","","has coordinates","251254","2020-10-21","18:00:00",""
"7240423","16.618","0.003","13.005","0.003","21.332","0.004","90","","90","","90","","4610.2","1.6","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H6 N12 O12 -","- C6 H6 N12 O12 -","- C48 H48 N96 O96 -","8","1","","Pan, Bochen; Wang, Zhanzhong; Shen, Yichun; Wei, Liangxiao; Wei, Hongyuan; Dang, Leping","Solvatomorphism and Phase Transformation of CL-20: Probing Properties and Investigating Mechanisms","CrystEngComm","2020","","","","","10.1039/D0CE00059K","","","0.71073","MoKα","","0.1601","0.1404","","","0.3255","0.339","","","","","","1.101","","","","has coordinates","251254","2020-10-21","18:00:00",""
"7240430","12.4202","0.0006","7.851","0.0004","24.3664","0.0012","90","","98.614","0.003","90","","2349.2","0.2","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H20.5 N3 O6 -","- C24 H20.5 N3 O6 -","- C96 H82 N12 O24 -","4","1","","Shi, Zhi-Ping; Ren, Guo-Bin; Qi, Ming-Hui; Li, Zhong; Xu, Xiaoyong","Design, screening, and properties of novel solvates of azoxystrobin based on isomorphism","CrystEngComm","2020","","","","","10.1039/D0CE00204F","","","1.54178","","","0.0869","0.0723","","","0.2161","0.235","","","","","","1.059","","","","has coordinates,has disorder","251338","2020-10-21","18:00:00",""
"7240431","12.408","0.004","7.7207","0.0014","24.595","0.005","90","","99.138","0.016","90","","2326.3","1","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22.79 H18.58 Cl1.58 N3 O5 -","- C22.789 H18.578 Cl1.578 N3 O5 -","- C91.156 H74.312 Cl6.312 N12 O20 -","4","1","","Shi, Zhi-Ping; Ren, Guo-Bin; Qi, Ming-Hui; Li, Zhong; Xu, Xiaoyong","Design, screening, and properties of novel solvates of azoxystrobin based on isomorphism","CrystEngComm","2020","","","","","10.1039/D0CE00204F","","","1.54178","CuKα","","0.1181","0.088","","","0.1869","0.2045","","","","","","1.114","","","","has coordinates,has disorder","251338","2020-10-21","18:00:00",""
"7240432","30.1704","0.0017","7.7664","0.0004","24.4219","0.0014","90","","123.587","0.003","90","","4767","0.5","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H18 Cl3 N3 O5 -","- C23 H18 Cl3 N3 O5 -","- C184 H144 Cl24 N24 O40 -","8","1","","Shi, Zhi-Ping; Ren, Guo-Bin; Qi, Ming-Hui; Li, Zhong; Xu, Xiaoyong","Design, screening, and properties of novel solvates of azoxystrobin based on isomorphism","CrystEngComm","2020","","","","","10.1039/D0CE00204F","","","1.54178","CuKα","","0.1379","0.0805","","","0.1841","0.2213","","","","","","1.046","","","","has coordinates,has disorder","251338","2020-10-21","18:00:00",""
"7240433","12.3314","0.0006","7.873","0.0004","24.6987","0.0011","90","","99.463","0.002","90","","2365.2","0.2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 N3 O6 -","- C26 H21 N3 O6 -","- C104 H84 N12 O24 -","4","1","","Shi, Zhi-Ping; Ren, Guo-Bin; Qi, Ming-Hui; Li, Zhong; Xu, Xiaoyong","Design, screening, and properties of novel solvates of azoxystrobin based on isomorphism","CrystEngComm","2020","","","","","10.1039/D0CE00204F","","","1.54178","CuKα","","0.0719","0.0505","","","0.1269","0.1419","","","","","","1.053","","","","has coordinates,has disorder","251338","2020-10-21","18:00:00",""
"7240434","12.5159","0.0006","7.7861","0.0005","24.3482","0.001","90","","96.499","0.004","90","","2357.5","0.2","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 N3 O7 -","- C25 H22 N3 O7 -","- C100 H88 N12 O28 -","4","1","","Shi, Zhi-Ping; Ren, Guo-Bin; Qi, Ming-Hui; Li, Zhong; Xu, Xiaoyong","Design, screening, and properties of novel solvates of azoxystrobin based on isomorphism","CrystEngComm","2020","","","","","10.1039/D0CE00204F","","","1.54178","","","0.0921","0.0681","","","0.183","0.2066","","","","","","1.047","","","","has coordinates,has disorder","251338","2020-10-21","18:00:00",""
"7240435","12.379","0.0006","7.8469","0.0003","24.9711","0.0011","90","","100.568","0.003","90","","2384.47","0.18","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24.01 H21.02 Cl2.01 N3 O5 -","- C24.01 H21.02 Cl2.01 N3 O5 -","- C96.04 H84.08 Cl8.04 N12 O20 -","4","1","","Shi, Zhi-Ping; Ren, Guo-Bin; Qi, Ming-Hui; Li, Zhong; Xu, Xiaoyong","Design, screening, and properties of novel solvates of azoxystrobin based on isomorphism","CrystEngComm","2020","","","","","10.1039/D0CE00204F","","","1.54178","CuKα","","0.1701","0.1356","","","0.36","0.3902","","","","","","1.422","","","","has coordinates,has disorder","251338","2020-10-21","18:00:00",""
"7240447","11.0926","0.0006","14.8423","0.0008","25.6676","0.0014","90","","90","","90","","4225.9","0.4","104","2","104","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H22 N4 O5 S -","- C20 H22 N4 O5 S -","- C160 H176 N32 O40 S8 -","8","1","","Ahuja, Dipali; Svärd, Michael; Lusi, Matteo; Rasmuson, Ake","Solution and calorimetric thermodynamic study of a new 1:1 sulfamethazine ‒ 3- methylsalicylic acid co-crystal","CrystEngComm","2020","","","","","10.1039/D0CE00498G","","","0.71076","MoKα","","0.0726","0.0535","","","0.1113","0.1183","","","","","","1.159","","","","has coordinates","251516","2020-10-21","18:00:00",""
"7240448","12.925","0.001","12.925","0.001","7.9339","0.0007","90","","90","","120","","1147.83","0.16","300","","300","","","","","","","","","4","P -3","-P 3","147","K-PreAFY","","","- Al6 K6 O41.38 P8 -","- Al6 K6 O41.38 P8 -","- Al6 K6 O41.38 P8 -","1","0.166667","","Maeda, Kazuyuki; Wakui, Kentaro; Arakawa, Kyosuke; Kondo, Atsushi","First Preparation of Microporous AFY-type MeAPO by Topotactic Pillaring of Lamellar Aluminophosphate Precursor","CrystEngComm","2020","","","","","10.1039/D0CE00644K","powder diffraction","","0.7994","synchrotron","","0.00859","","","","","","0.00851","0.01792","6.4863","","","","","","","has coordinates","251517","2020-10-21","18:00:00",""
"7240450","7.8002","0.0003","7.8688","0.0003","11.9165","0.0005","106.389","0.001","91.057","0.001","93.117","0.001","700.22","0.05","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- H13 N9 O10 Pd Ru -","- H13 N9 O10 Pd Ru -","- H26 N18 O20 Pd2 Ru2 -","2","1","","Kostin, Gennadiy; Filatov, Evgeny; Pishchur, Denis P.; Kuratieva, Natalia; Korenev, Sergey","Phase transformations in a double complex salt of ruthenium nitrosyl anion with tetraamine-palladium cation","CrystEngComm","2020","","","","","10.1039/D0CE00441C","","x-ray","0.71073","MoKα","","0.0343","0.0243","","","0.0598","0.0645","","","","","","1.064","","","","has coordinates","251789","2020-10-21","18:00:00",""
"7240451","7.851","0.002","7.792","0.002","12.456","0.003","90","","105.148","0.007","90","","735.5","0.3","383","2","383","2","","","","","","","","5","P 1 2/m 1","-P 2y","10","","","","- H13 N9 O10 Pd Ru -","- H13 N9 O10 Pd Ru -","- H26 N18 O20 Pd2 Ru2 -","2","0.5","","Kostin, Gennadiy; Filatov, Evgeny; Pishchur, Denis P.; Kuratieva, Natalia; Korenev, Sergey","Phase transformations in a double complex salt of ruthenium nitrosyl anion with tetraamine-palladium cation","CrystEngComm","2020","","","","","10.1039/D0CE00441C","","x-ray","0.71073","MoKα","","0.0681","0.0522","","","0.0977","0.1048","","","","","","1.152","","","","has coordinates,has disorder","251789","2020-10-21","18:00:00",""
"7240452","8.4228","0.0003","10.2975","0.0003","21.9679","0.0006","90","","90","","90","","1905.36","0.1","93","2","93","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C8 H30 Br N4 O11 Pd S -","- C8 H30 Br N4 O11 Pd S -","- C32 H120 Br4 N16 O44 Pd4 S4 -","4","1","","Mian, Mohammad Rasel; Afrin, Unjila; Iguchi, Hiroaki; Takaishi, Shinya; Yoshida, Takefumi; Miyamoto, Tatsuya; Okamoto, Hiroshi; Tanaka, Hisaaki; Kuroda, Shin-ichi; Yamashita, Masahiro","Conductive zigzag Pd(III)‒Br chain complex realized by multiple-hydrogen-bond approach","CrystEngComm","2020","","","","","10.1039/D0CE00332H","","","0.71073","MoKα","","0.0299","0.0255","","","0.0508","0.0519","","","","","","1.039","","","","has coordinates","251790","2020-10-21","18:00:00",""
"7240453","8.4228","0.0003","10.2975","0.0003","21.9679","0.0006","90","","90","","90","","1905.36","0.1","93","2","93","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C8 H30 Br N4 O11 Pd S -","- C8 H30 Br N4 O11 Pd S -","- C32 H120 Br4 N16 O44 Pd4 S4 -","4","1","","Wang, Mengdie; Zhang, Jian; Sun, Yun-Kai; Wei, Jing; Tan, Chunhong; Wang, Xiao-Feng","Ligand modulated the variable binuclear Cd2-SBU and structures of four layered coordination frameworks","CrystEngComm","2020","","","","","10.1039/D0CE00513D","","","0.71073","MoKα","","0.0299","0.0255","","","0.0508","0.0519","","","","","","1.039","","","","has coordinates","251791","2020-10-21","18:00:00",""
"7240456","9.017","0.003","9.118","0.003","9.594","0.003","90","","95.676","0.013","90","","784.9","0.4","296","2","296","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C4 I N O S3 -","- C4 I N O S3 -","- C16 I4 N4 O4 S12 -","4","1","","Hachem, Hadi; Jeannin, olivier; Fourmigue, Marc; Barriere, Frederic; Lorcy, Dominique","Halogen bonded metal bis(dithiolene) 2D frameworks","CrystEngComm","2020","","","","","10.1039/D0CE00512F","","x-ray","0.71073","MoKα","","0.0843","0.0521","","","0.1214","0.1477","","","","","","1.091","","","","has coordinates","251826","2020-10-21","18:00:00",""
"7240457","15.9488","0.0017","12.5276","0.0012","16.2505","0.0018","90","","92.452","0.006","90","","3243.9","0.6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H36 I2 N3 Ni S6 -","- C22 H36 I2 N3 Ni S6 -","- C88 H144 I8 N12 Ni4 S24 -","4","0.5","","Hachem, Hadi; Jeannin, olivier; Fourmigue, Marc; Barriere, Frederic; Lorcy, Dominique","Halogen bonded metal bis(dithiolene) 2D frameworks","CrystEngComm","2020","","","","","10.1039/D0CE00512F","","x-ray","0.71073","MoKα","","0.1443","0.0562","","","0.1314","0.1621","","","","","","0.983","","","","has coordinates,has disorder","251826","2020-10-21","18:00:00",""
"7240458","15.6439","0.001","12.2704","0.0008","16.6152","0.0011","90","","93.368","0.003","90","","3183.9","0.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H36 Au I2 N3 S6 -","- C22 H36 Au I2 N3 S6 -","- C88 H144 Au4 I8 N12 S24 -","4","0.5","","Hachem, Hadi; Jeannin, olivier; Fourmigue, Marc; Barriere, Frederic; Lorcy, Dominique","Halogen bonded metal bis(dithiolene) 2D frameworks","CrystEngComm","2020","","","","","10.1039/D0CE00512F","","x-ray","0.71073","MoKα","","0.0773","0.0671","","","0.1651","0.1765","","","","","","1.034","","","","has coordinates","251826","2020-10-21","18:00:00",""
"7240459","11.1817","0.0005","13.2215","0.0005","11.5412","0.0004","90","","91.649","0.002","90","","1705.53","0.12","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H36 Au I2 N3 S6 -","- C22 H36 Au I2 N3 S6 -","- C44 H72 Au2 I4 N6 S12 -","2","1","","Hachem, Hadi; Jeannin, olivier; Fourmigue, Marc; Barriere, Frederic; Lorcy, Dominique","Halogen bonded metal bis(dithiolene) 2D frameworks","CrystEngComm","2020","","","","","10.1039/D0CE00512F","","x-ray","0.71073","MoKα","","0.0831","0.0509","","","0.0946","0.1078","","","","","","1.028","","","","has coordinates","251826","2020-10-21","18:00:00",""
"7240460","3.9123","0.0002","16.5922","0.0011","9.7464","0.0005","90","","98.329","0.003","90","","626","0.06","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H N O S3 -","- C4 H N O S3 -","- C16 H4 N4 O4 S12 -","4","1","","Hachem, Hadi; Jeannin, olivier; Fourmigue, Marc; Barriere, Frederic; Lorcy, Dominique","Halogen bonded metal bis(dithiolene) 2D frameworks","CrystEngComm","2020","","","","","10.1039/D0CE00512F","","x-ray","0.71073","MoKα","","0.0485","0.0377","","","0.0763","0.0805","","","","","","1.09","","","","has coordinates","251826","2020-10-21","18:00:00",""
"7240461","22.684","0.0006","22.684","0.0006","22.684","0.0006","90","","90","","90","","11672.4","0.5","293","2","293","2","","","","","","","","5","P -4 3 m","P -4 2 3","215","ZIF-76 mbIm","Zn(Im)1.20(ClFbIm)0.80","","- C240 H220.8 N96 O8 Zn24 -","- C10.079 H5.58 N4 O0.333333 Zn -","- C241.896 H133.92 N96 O8 Zn24 -","24","1","","Bumstead, Alice M.; Gómez, María Laura Ríos; Thorne, Michael Francis; Sapnik, Adam F.; Longley, Louis; Tuffnell, Joshua Mark; Keeble, Dean S.; Keen, David A.; Bennett, Thomas Douglas","Investigating the Melting Behaviour of Polymorphic Zeolitic Imidazolate Frameworks","CrystEngComm","2020","","","","","10.1039/D0CE00408A","","","1.54184","CuKα","","0.1424","0.1156","","","0.2989","0.3534","","","","","","1.365","","","","has coordinates,has disorder","251827","2020-10-21","18:00:00",""
"7240462","5.4015","0.0006","11.0987","0.0011","13.6141","0.0017","90","","97.202","0.012","90","","809.72","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","methyl 2,6-diaminobenzoate","","- C8 H10 N2 O2 -","- C8 H10 N2 O2 -","- C32 H40 N8 O8 -","4","1","","Wallis, John D.; Garner, Alun Christopher; Yang, Songjie","N-H···O Hydrogen Bonding to the Alkoxy Oxygen of a Carboxylic Ester Group: Crystal Structures of Methyl 2,6-Diaminobenzoate and Its Derivatives.","CrystEngComm","2020","","","","","10.1039/D0CE00495B","","x-ray","0.71073","MoKα","","0.0579","0.0453","","","0.1038","0.1101","","","","","","1.06","","","","has coordinates","251828","2020-10-21","18:00:00",""
"7240463","9.7212","0.0003","35.4733","0.0012","26.2238","0.001","90","","97.36","0.003","90","","8968.6","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Methyl 2-tosylamino-6-aminobenzoate","","- C15 H16 N2 O4 S -","- C15 H16 N2 O4 S -","- C360 H384 N48 O96 S24 -","24","6","","Wallis, John D.; Garner, Alun Christopher; Yang, Songjie","N-H···O Hydrogen Bonding to the Alkoxy Oxygen of a Carboxylic Ester Group: Crystal Structures of Methyl 2,6-Diaminobenzoate and Its Derivatives.","CrystEngComm","2020","","","","","10.1039/D0CE00495B","","x-ray","0.71073","MoKα","","0.1213","0.0625","","","0.1317","0.158","","","","","","1.024","","","","has coordinates","251828","2020-10-21","18:00:00",""
"7240464","7.1001","0.0004","10.8475","0.0007","16.4165","0.0011","90","","94.379","0.006","90","","1260.68","0.14","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Methyl2,6-dinitrobenzoate bis HBF4 salt","","- C8 H12 B2 F8 N2 O2 -","- C8 H12 B2 F8 N2 O2 -","- C32 H48 B8 F32 N8 O8 -","4","1","","Wallis, John D.; Garner, Alun Christopher; Yang, Songjie","N-H···O Hydrogen Bonding to the Alkoxy Oxygen of a Carboxylic Ester Group: Crystal Structures of Methyl 2,6-Diaminobenzoate and Its Derivatives.","CrystEngComm","2020","","","","","10.1039/D0CE00495B","","x-ray","0.71073","MoKα","","0.0625","0.044","","","0.0818","0.0884","","","","","","1.109","","","","has coordinates","251828","2020-10-21","18:00:00",""
"7240465","11.5169","0.0008","12.9904","0.001","15.2893","0.0009","67.212","0.006","77.44","0.005","77.991","0.006","2038.8","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Methyl 2,6-diaminobenzoate bis BPh3 complex bis acetontrile solvate","","- C48 H46 B2 N4 O2 -","- C48 H46 B2 N4 O2 -","- C96 H92 B4 N8 O4 -","2","1","","Wallis, John D.; Garner, Alun Christopher; Yang, Songjie","N-H···O Hydrogen Bonding to the Alkoxy Oxygen of a Carboxylic Ester Group: Crystal Structures of Methyl 2,6-Diaminobenzoate and Its Derivatives.","CrystEngComm","2020","","","","","10.1039/D0CE00495B","","x-ray","0.71073","MoKα","","0.1469","0.0721","","","0.145","0.1797","","","","","","1.043","","","","has coordinates","251828","2020-10-21","18:00:00",""
"7240466","7.1708","0.0002","17.5834","0.0006","14.7293","0.0005","90","","98.972","0.001","90","","1834.45","0.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 Cl N3 O4 -","- C19 H22 Cl N3 O4 -","- C76 H88 Cl4 N12 O16 -","4","1","","Zhang, Guoshun; shang, xiaoqing; han, wei; zhang, lifeng; ren, guolian; Zhang, Shuqiu","Synthesis, Structural Characterization, Physicochemical Properties and Transformations of Dehydroevodiamine and Its Hydrochloride Salts","CrystEngComm","2020","","","","","10.1039/D0CE00136H","","","0.71073","MoKα","","0.0671","0.0468","","","0.1295","0.1451","","","","","","1.024","","","","has coordinates","251829","2020-10-21","18:00:00",""
"7240467","6.9435","0.0003","21.8674","0.0009","11.8018","0.0005","90","","99.86","0.001","90","","1765.47","0.13","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 Cl N3 O2 -","- C20 H20 Cl N3 O2 -","- C80 H80 Cl4 N12 O8 -","4","1","","Zhang, Guoshun; shang, xiaoqing; han, wei; zhang, lifeng; ren, guolian; Zhang, Shuqiu","Synthesis, Structural Characterization, Physicochemical Properties and Transformations of Dehydroevodiamine and Its Hydrochloride Salts","CrystEngComm","2020","","","","","10.1039/D0CE00136H","","","0.71073","MoKα","","0.0645","0.0466","","","0.1141","0.1241","","","","","","1.026","","","","has coordinates","251829","2020-10-21","18:00:00",""
"7240468","6.917","0.0005","8.8668","0.0007","14.1791","0.0012","105.866","0.002","99.29","0.002","96.696","0.002","813.61","0.11","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H17 N3 O2 -","- C19 H17 N3 O2 -","- C38 H34 N6 O4 -","2","1","","Zhang, Guoshun; shang, xiaoqing; han, wei; zhang, lifeng; ren, guolian; Zhang, Shuqiu","Synthesis, Structural Characterization, Physicochemical Properties and Transformations of Dehydroevodiamine and Its Hydrochloride Salts","CrystEngComm","2020","","","","","10.1039/D0CE00136H","","","0.71073","MoKα","","0.0757","0.0489","","","0.118","0.1332","","","","","","1.021","","","","has coordinates","251829","2020-10-21","18:00:00",""
"7240469","14.8763","0.0011","7.2318","0.0005","14.9535","0.0011","90","","102.805","0.002","90","","1568.7","0.2","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 Cl N3 O -","- C19 H16 Cl N3 O -","- C76 H64 Cl4 N12 O4 -","4","1","","Zhang, Guoshun; shang, xiaoqing; han, wei; zhang, lifeng; ren, guolian; Zhang, Shuqiu","Synthesis, Structural Characterization, Physicochemical Properties and Transformations of Dehydroevodiamine and Its Hydrochloride Salts","CrystEngComm","2020","","","","","10.1039/D0CE00136H","","","0.71073","MoKα","","0.0753","0.0454","","","0.1129","0.1271","","","","","","1.034","","","","has coordinates","251829","2020-10-21","18:00:00",""
"7240470","7.03","0.0013","22.083","0.004","11.555","0.002","90","","97.563","0.006","90","","1778.2","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 Cl N3 O3 -","- C19 H20 Cl N3 O3 -","- C76 H80 Cl4 N12 O12 -","4","1","","Zhang, Guoshun; shang, xiaoqing; han, wei; zhang, lifeng; ren, guolian; Zhang, Shuqiu","Synthesis, Structural Characterization, Physicochemical Properties and Transformations of Dehydroevodiamine and Its Hydrochloride Salts","CrystEngComm","2020","","","","","10.1039/D0CE00136H","","","0.71076","MoKα","","0.1794","0.0785","","","0.1827","0.2275","","","","","","1.017","","","","has coordinates","251829","2020-10-21","18:00:00",""
"7240471","7.6333","0.0008","11.2359","0.0011","18.1058","0.0018","90","","99.64","0.005","90","","1531","0.3","296.15","","296.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","[4-amino-5-fluoro-1-((2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl)pyrimidin-2(1H)-one]-[1,2-Bis(4-pyridyl)ethane]","","- C28 H32 F2 N8 O6 S2 -","- C28 H32 F2 N8 O6 S2 -","- C56 H64 F4 N16 O12 S4 -","2","1","","Campillo-Alvarado, Gonzalo; Keene, Elizabeth; Swenson, Dale C.; MacGillivray, Len R.","Repurposing of the anti-HIV drug Emtricitabine as a hydrogen-bonded cleft for bipyridines via cocrystallization","CrystEngComm","2020","","","","","10.1039/D0CE00474J","","","0.71073","MoKα","","0.0325","0.0292","","","0.0677","0.07","","","","","","1.024","","","","has coordinates,has disorder","251830","2020-10-21","18:00:00",""
"7240472","7.4883","0.0007","11.2957","0.0011","18.1735","0.0018","90","","100.406","0.005","90","","1511.9","0.3","298.15","","298.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","[4-amino-5-fluoro-1-((2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl)pyrimidin-2(1H)-one]-[1,2-Bis(4-pyridyl)ethylene]","","- C28 H30 F2 N8 O6 S2 -","- C28 H30 F2 N8 O6 S2 -","- C56 H60 F4 N16 O12 S4 -","2","1","","Campillo-Alvarado, Gonzalo; Keene, Elizabeth; Swenson, Dale C.; MacGillivray, Len R.","Repurposing of the anti-HIV drug Emtricitabine as a hydrogen-bonded cleft for bipyridines via cocrystallization","CrystEngComm","2020","","","","","10.1039/D0CE00474J","","","0.71073","MoKα","","0.0427","0.0369","","","0.0838","0.0869","","","","","","1.059","","","","has coordinates","251830","2020-10-21","18:00:00",""
"7240473","7.5024","0.0008","11.2194","0.0011","18.2134","0.0018","90","","100.538","0.005","90","","1507.2","0.3","296.15","","296.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","[4-amino-5-fluoro-1-((2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl)pyrimidin-2(1H)-one]-[4-azopyridine]'","","- C26 H27 F2 N10 O6 S2 -","- C26 H27 F2 N10 O6 S2 -","- C52 H54 F4 N20 O12 S4 -","2","1","","Campillo-Alvarado, Gonzalo; Keene, Elizabeth; Swenson, Dale C.; MacGillivray, Len R.","Repurposing of the anti-HIV drug Emtricitabine as a hydrogen-bonded cleft for bipyridines via cocrystallization","CrystEngComm","2020","","","","","10.1039/D0CE00474J","","","0.71073","MoKα","","0.0591","0.0487","","","0.1106","0.1157","","","","","","1.073","","","","has coordinates,has disorder","251830","2020-10-21","18:00:00",""
"7240474","7.4668","0.001","9.67","0.0014","26.187","0.004","90","","90.087","0.004","90","","1890.8","0.5","150.15","","150.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","[4-amino-5-fluoro-1-((2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl)pyrimidin-2(1H)-one]-[4,4'-bipyridine]","","- C36 H38 F2 N10 O7 S2 -","- C36 H38 F2 N10 O7 S2 -","- C72 H76 F4 N20 O14 S4 -","2","1","","Campillo-Alvarado, Gonzalo; Keene, Elizabeth; Swenson, Dale C.; MacGillivray, Len R.","Repurposing of the anti-HIV drug Emtricitabine as a hydrogen-bonded cleft for bipyridines via cocrystallization","CrystEngComm","2020","","","","","10.1039/D0CE00474J","","","0.71073","MoKα","","0.0633","0.0559","","","0.1267","0.1307","","","","","","1.0385","","","","has coordinates","251830","2020-10-21","18:00:00",""
"7240479","11.609","0.012","7.722","0.007","12.775","0.013","90","","90.76","0.03","90","","1145","2","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 N2 -","- C30 H28 N2 -","- C60 H56 N4 -","2","0.5","","Colin-Molina, Abraham; Velazquez-Chavez, Diego; Jellen, Marcus; Rodríguez-Cortés, Lizbeth A.; Cifuentes Quintal, Miguel Eduardo; Merino, Gabriel; Rodríguez-Molina, Braulio","Dynamic Characterization of Crystalline Fluorophores with Conformationally Flexible Tetrahydrocarbazole Frameworks","CrystEngComm","2020","","","","","10.1039/D0CE00423E","","","0.71073","MoKα","","0.2727","0.0956","","","0.2145","0.2974","","","","","","0.996","","","","has coordinates,has disorder","251876","2020-10-21","18:00:00",""
"7240480","11.4789","0.001","7.7861","0.0006","12.4833","0.0011","90","","91.539","0.003","90","","1115.3","0.16","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 N2 -","- C30 H28 N2 -","- C60 H56 N4 -","2","0.5","","Colin-Molina, Abraham; Velazquez-Chavez, Diego; Jellen, Marcus; Rodríguez-Cortés, Lizbeth A.; Cifuentes Quintal, Miguel Eduardo; Merino, Gabriel; Rodríguez-Molina, Braulio","Dynamic Characterization of Crystalline Fluorophores with Conformationally Flexible Tetrahydrocarbazole Frameworks","CrystEngComm","2020","","","","","10.1039/D0CE00423E","","","0.71073","MoKα","","0.1498","0.0828","","","0.2076","0.2513","","","","","","1.022","","","","has coordinates,has disorder","251876","2020-10-21","18:00:00",""
"7240481","11.5168","0.001","7.6482","0.0006","12.8491","0.0011","90","","90.876","0.003","90","","1131.65","0.16","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 N2 -","- C30 H24 N2 -","- C60 H48 N4 -","2","0.5","","Colin-Molina, Abraham; Velazquez-Chavez, Diego; Jellen, Marcus; Rodríguez-Cortés, Lizbeth A.; Cifuentes Quintal, Miguel Eduardo; Merino, Gabriel; Rodríguez-Molina, Braulio","Dynamic Characterization of Crystalline Fluorophores with Conformationally Flexible Tetrahydrocarbazole Frameworks","CrystEngComm","2020","","","","","10.1039/D0CE00423E","","","0.71073","MoKα","","0.166","0.0676","","","0.1503","0.1967","","","","","","1.024","","","","has coordinates,has disorder","251876","2020-10-21","18:00:00",""
"7240482","8.8101","0.0004","17.1707","0.0008","13.2499","0.0007","90","","101.1","0.002","90","","1966.89","0.17","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Sulfathiazole amantadine salt","4-Amino-N-(1,3-thiazol-2(3H)-ylidene)benzenesulfonamide 1-Adamantylammonium salt","","- C19 H26 N4 O2 S2 -","- C19 H26 N4 O2 S2 -","- C76 H104 N16 O8 S8 -","4","1","","Wang, Ling-Yang; Yu, Yueming; Yu, Ming-Chao; Li, Yan-Tuan; Wu, Zhi-Yong; Yan, Cui-Wei","A crystalline solid adduct of sulfathiazole-amantadine: The first dual-drug molecular salt containing both antiviral and antibacterial ingredients","CrystEngComm","2020","","","","","10.1039/D0CE00368A","","","0.71073","MoKα","","0.0949","0.05","","","0.0935","0.1083","","","","","","1.016","","","","has coordinates","251877","2020-10-21","18:00:00",""
"7240497","20.7914","0.0011","25.4192","0.0011","26.4883","0.0008","90","","90","","90","","13999.1","1","100","2","100","2","","","","","","","","5","P n n n :2","-P 2ab 2bc","48","","poly-{(dimethylammonium) [tetrakis(mu3-butyladeninato-kN3:kN7:kN9)tetrakis(mu-biphenyldicarboxylato-kO:kO')(mu4-oxido)hexazincate]-dimethylformamide-water (1/4/13)","","- C108 H150 N26 O34 Zn6 -","- C108 H124 N26 O30 Zn6 -","- C432 H496 N104 O120 Zn24 -","4","0.5","","Garcia-Raso, Angel; TERRON, ANGEL; rosello, Yannick; Frontera, Antonio; Castillo, Oscar; Beobide, Garikoitz; Perez-Yañez, Sonia; Escudero, Eduardo Carmelo; FIOL, JUAN J J","Metal removal from the secondary building unit of bio-MOF-1 by adenine N6-alkylation while retaining the overall 3D porous topology","CrystEngComm","2020","","","","","10.1039/D0CE00631A","","","0.7107","MoKα","","0.1168","0.0714","","","0.204","0.224","","","","","","1.116","","","","has coordinates,has disorder","251966","2020-10-21","18:00:00",""
"7240498","12.513","0.003","13.386","0.003","14.866","0.003","113.61","0.03","91.56","0.02","106.97","0.03","2152.6","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H23 N O10 Si Zn2 -","- C24 H23 N O10 Si Zn2 -","- C48 H46 N2 O20 Si2 Zn4 -","2","1","","Yuan, Baoling; Tang, Yuan; Gou, Gaozhang; Dan, Wenyan; Li, Liangchun","In Situ Selective Ligand Transformation from Si−H to Si−OH for Synergistic Assembly of Hydrogen-bonded Metal−Organic Frameworks","CrystEngComm","2020","","","","","10.1039/D0CE00629G","","","0.71073","MoKα","","0.0846","0.0612","","","0.1373","0.1464","","","","","","0.999","","","","has coordinates,has disorder","252004","2020-10-21","18:00:00",""
"7240499","10.7672","0.0002","25.0553","0.0005","24.4048","0.0005","90","","98.31","0.001","90","","6514.7","0.2","150","2","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Mn-TPCSiOH","","","- C45 H39 Mn3 N O18 Si2 -","- C45 H39 Mn3 N O18 Si2 -","- C180 H156 Mn12 N4 O72 Si8 -","4","1","","Yuan, Baoling; Tang, Yuan; Gou, Gaozhang; Dan, Wenyan; Li, Liangchun","In Situ Selective Ligand Transformation from Si−H to Si−OH for Synergistic Assembly of Hydrogen-bonded Metal−Organic Frameworks","CrystEngComm","2020","","","","","10.1039/D0CE00629G","","","1.54178","CuKα","","0.088","0.0627","","","0.1393","0.1497","","","","","","1.054","","","","has coordinates","252004","2020-10-21","18:00:00",""
"7240500","8.2027","0.0006","8.8661","0.0005","11.48","0.0007","89.566","0.005","70.547","0.006","81.668","0.006","778.18","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H10 Cl I3 N2 -","- C10 H10 Cl I3 N2 -","- C20 H20 Cl2 I6 N4 -","2","1","","Fotović, Luka; Stilinovic, Vladimir","Halogenide anions as halogen and hydrogen bond acceptors in iodopyridinium halogenides","CrystEngComm","2020","","","","","10.1039/D0CE00534G","","","0.71073","MoKα","","0.0647","0.0414","","","0.0902","0.1126","","","","","","0.921","","","","has coordinates","252006","2020-10-21","18:00:00",""
"7240501","8.0102","0.0009","8.0918","0.001","14.048","0.0018","90.722","0.01","99.454","0.01","119.57","0.013","776.5","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H12 Cl2 I2 N2 O -","- C10 H12 Cl2 I2 N2 O -","- C20 H24 Cl4 I4 N4 O2 -","2","1","","Fotović, Luka; Stilinovic, Vladimir","Halogenide anions as halogen and hydrogen bond acceptors in iodopyridinium halogenides","CrystEngComm","2020","","","","","10.1039/D0CE00534G","","","0.71073","MoKα","","0.0426","0.0297","","","0.0655","0.0678","","","","","","0.91","","","","has coordinates","252006","2020-10-21","18:00:00",""
"7240502","4.5838","0.0002","14.8642","0.0005","10.6931","0.0003","90","","91.693","0.003","90","","728.25","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H5 Br I N -","- C5 H5 Br I N -","- C20 H20 Br4 I4 N4 -","4","1","","Fotović, Luka; Stilinovic, Vladimir","Halogenide anions as halogen and hydrogen bond acceptors in iodopyridinium halogenides","CrystEngComm","2020","","","","","10.1039/D0CE00534G","","","0.71073","MoKα","","0.0442","0.029","","","0.0625","0.0651","","","","","","0.9","","","","has coordinates","252006","2020-10-21","18:00:00",""
"7240503","4.5792","0.0001","21.7962","0.0006","8.1293","0.0003","90","","101.885","0.003","90","","793.99","0.04","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H5 I2 N -","- C5 H5 I2 N -","- C20 H20 I8 N4 -","4","1","","Fotović, Luka; Stilinovic, Vladimir","Halogenide anions as halogen and hydrogen bond acceptors in iodopyridinium halogenides","CrystEngComm","2020","","","","","10.1039/D0CE00534G","","","0.71073","MoKα","","0.045","0.0281","","","0.0593","0.0618","","","","","","0.903","","","","has coordinates","252006","2020-10-21","18:00:00",""
"7240504","4.4564","0.0003","10.8438","0.0007","14.8824","0.0011","90","","94.886","0.007","90","","716.57","0.09","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H5 Cl I N -","- C5 H5 Cl I N -","- C20 H20 Cl4 I4 N4 -","4","1","","Fotović, Luka; Stilinovic, Vladimir","Halogenide anions as halogen and hydrogen bond acceptors in iodopyridinium halogenides","CrystEngComm","2020","","","","","10.1039/D0CE00534G","","","0.71073","MoKα","","0.0883","0.0413","","","0.0748","0.0836","","","","","","0.8","","","","has coordinates","252006","2020-10-21","18:00:00",""
"7240505","4.6289","0.0002","15.1319","0.0008","11.0844","0.0009","90","","91.478","0.007","90","","776.14","0.08","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H5 I2 N -","- C5 H5 I2 N -","- C20 H20 I8 N4 -","4","1","","Fotović, Luka; Stilinovic, Vladimir","Halogenide anions as halogen and hydrogen bond acceptors in iodopyridinium halogenides","CrystEngComm","2020","","","","","10.1039/D0CE00534G","","","0.71073","MoKα","","0.0347","0.031","","","0.0782","0.0803","","","","","","0.924","","","","has coordinates","252006","2020-10-21","18:00:00",""
"7240506","15.0849","0.0007","4.7247","0.0002","11.2538","0.0004","90","","90","","90","","802.08","0.06","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C5 H5 I2 N -","- C5 H5 I2 N -","- C20 H20 I8 N4 -","4","1","","Fotović, Luka; Stilinovic, Vladimir","Halogenide anions as halogen and hydrogen bond acceptors in iodopyridinium halogenides","CrystEngComm","2020","","","","","10.1039/D0CE00534G","","","0.71073","MoKα","","0.0232","0.0191","","","0.0413","0.0422","","","","","","0.871","","","","has coordinates","252006","2020-10-21","18:00:00",""
"7240507","14.962","0.0007","4.5454","0.0002","10.9014","0.0005","90","","90","","90","","741.39","0.06","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C5 H5 Br I N -","- C5 H5 Br I N -","- C20 H20 Br4 I4 N4 -","4","1","","Fotović, Luka; Stilinovic, Vladimir","Halogenide anions as halogen and hydrogen bond acceptors in iodopyridinium halogenides","CrystEngComm","2020","","","","","10.1039/D0CE00534G","","","0.71073","MoKα","","0.0359","0.0287","","","0.0613","0.0625","","","","","","0.88","","","","has coordinates","252006","2020-10-21","18:00:00",""
"7240508","4.3369","0.0008","8.4079","0.0017","9.736","0.002","90","","94.12","0.018","90","","354.1","0.12","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C5 H5 Cl I N -","- C5 H5 Cl I N -","- C10 H10 Cl2 I2 N2 -","2","0.5","","Fotović, Luka; Stilinovic, Vladimir","Halogenide anions as halogen and hydrogen bond acceptors in iodopyridinium halogenides","CrystEngComm","2020","","","","","10.1039/D0CE00534G","","","0.71073","MoKα","","0.0968","0.0811","","","0.2208","0.2298","","","","","","1.089","","","","has coordinates","252006","2020-10-21","18:00:00",""
"7240509","10.5864","0.0011","4.3468","0.0005","15.0822","0.0014","90","","90.518","0.008","90","","694.01","0.13","298","2","298","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C5 H5 Cl I N -","- C5 H5 Cl I N -","- C20 H20 Cl4 I4 N4 -","4","1","","Fotović, Luka; Stilinovic, Vladimir","Halogenide anions as halogen and hydrogen bond acceptors in iodopyridinium halogenides","CrystEngComm","2020","","","","","10.1039/D0CE00534G","","","1.54184","CuKα","","0.0564","0.0506","","","0.137","0.1498","","","","","","1.116","","","","has coordinates","252006","2020-10-21","18:00:00",""
"7240510","4.3789","0.0003","8.5332","0.0007","9.9405","0.0006","90","","95.16","0.006","90","","369.93","0.05","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C5 H5 Br I N -","- C5 H5 Br I N -","- C10 H10 Br2 I2 N2 -","2","0.5","","Fotović, Luka; Stilinovic, Vladimir","Halogenide anions as halogen and hydrogen bond acceptors in iodopyridinium halogenides","CrystEngComm","2020","","","","","10.1039/D0CE00534G","","","0.71073","MoKα","","0.0611","0.057","","","0.155","0.1573","","","","","","1.063","","","","has coordinates","252006","2020-10-21","18:00:00",""
"7240511","18.8403","0.0015","4.2335","0.0003","15.3364","0.0012","90","","95.068","0.003","90","","1218.46","0.16","273","2","273","2","","","","","","","","5","C 1 m 1","C -2y","8","","","","- O5 Pb1.5 Sb5 Se8 Sr4 -","- O5 Pb1.5 Sb5 Se8 Sr4 -","- O10 Pb3 Sb10 Se16 Sr8 -","2","0.5","","Wang, Yang; Luo, Mengjia; Zhao, Pei; Che, Xiangli; Cao, Yunzhen; Huang, Fuqiang","Sr4Pb1.5Sb5O5Se8: a new mid-infrared nonlinear optical material with a moderate SHG response","CrystEngComm","2020","","","","","10.1039/D0CE00084A","","","0.71073","MoKα","","0.0572","0.0375","","","0.0868","0.0978","","","","","","1.046","","","","has coordinates","252036","2020-10-21","18:00:00",""
"7240512","11.2749","0.0009","24.769","0.002","14.9058","0.0012","90","","92.691","0.002","90","","4158.1","0.6","273","","273.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C63 H83 N25 Na4 O37 S4 -","- C63 H83 N25 Na4 O37 S4 -","- C126 H166 N50 Na8 O74 S8 -","2","0.5","","Liu, Mei; Shi, Lulu; Li, Hui","A cucurbit[6]uril-based supramolecular assembly as a highly sensitive and quickly responsive luminescent sensor for the detection of fluoroquinolones antibiotics in simulated wastewater","CrystEngComm","2020","","","","","10.1039/D0CE00603C","","","0.71073","MoKα","","0.1138","0.0927","","","0.2203","0.2325","","","","","","1.076","","","","has coordinates,has disorder","252037","2020-10-21","18:00:00",""
"7240534","21.457","0.002","14.4489","0.0015","7.37","0.0008","90","","90.013","0.002","90","","2284.9","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H27 F N4 O6 -","- C24 H27 F N4 O6 -","- C96 H108 F4 N16 O24 -","4","1","","Surov, Artem Olegovich; Vasilev, Nikita; Voronin, Alexander P.; Andrei, Churakov; Emmerling, Franziska; Perlovich, German L.","Ciprofloxacin salts with benzoic acid derivatives: structural aspects, solid-state properties and solubility performance","CrystEngComm","2020","","","","","10.1039/D0CE00514B","","","0.71073","MoKα","","0.0652","0.0486","","","0.1247","0.1339","","","","","","1.054","","","","has coordinates","252069","2020-10-21","18:00:00",""
"7240535","9.121","0.0007","27.264","0.002","10.3393","0.0008","90","","93.365","0.001","90","","2566.7","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H28.33 F N3 O10.17 -","- C24 H28.334 F N3 O10.167 -","- C96 H113.336 F4 N12 O40.668 -","4","1","","Surov, Artem Olegovich; Vasilev, Nikita; Voronin, Alexander P.; Andrei, Churakov; Emmerling, Franziska; Perlovich, German L.","Ciprofloxacin salts with benzoic acid derivatives: structural aspects, solid-state properties and solubility performance","CrystEngComm","2020","","","","","10.1039/D0CE00514B","","","0.71073","MoKα","","0.0612","0.043","","","0.0973","0.106","","","","","","1.03","","","","has coordinates","252069","2020-10-21","18:00:00",""
"7240536","7.897","0.0002","14.3744","0.0003","15.1386","0.0003","77.442","0.002","79.666","0.002","88.939","0.002","1649.76","0.07","300","0.1","300","0.1","","","","","","","","5","P 1","P 1","1","guanidinium ethoxysulfonate","guanidinium ethoxysulfonate","","- C3 H11 N3 O4 S -","- C3 H11 N3 O4 S -","- C24 H88 N24 O32 S8 -","8","8","","Szafrański, Marek; Jarek, Marcin","Thermodynamic pathway between the non-polar and ferroelectric polymorphs of guanidinium ethoxysulfonate","CrystEngComm","2020","","","","","10.1039/D0CE00565G","","","0.71073","MoKα","","0.0777","0.0618","","","0.1709","0.1914","","","","","","1.029","","","","has coordinates,has disorder","252070","2020-10-21","18:00:00",""
"7240537","9.6088","0.0007","14.6537","0.0011","16.9619","0.0014","95.852","0.001","106.511","0.001","107.938","0.001","2131","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H30 Cl Eu N4 O12 -","- C36 H30 Cl Eu N4 O12 -","- C72 H60 Cl2 Eu2 N8 O24 -","2","1","","Liu, Jian-Jun; Que, Qi-Tao; Liu, Dan; Suo, Hongbo; Liu, Jiaming; Xia, Shu-Biao","A multifunction photochromic metal-organic framework with Lewis acid sites for selective amines and anion sensing","CrystEngComm","2020","","","","","10.1039/D0CE00560F","","","0.71073","MoKα","","0.0456","0.0393","","","0.1088","0.1129","","","","","","1.047","","","","has coordinates","252071","2020-10-21","18:00:00",""
"7240538","9.2897","0.0002","9.4735","0.0002","13.3937","0.0003","94.505","0.002","95.182","0.002","95.941","0.002","1163","0.04","130","2","130.1","0.14","","","","","","","","7","P -1","-P 1","2","","","","- C16 H8 Cl Li3 N8 O2 W -","- C16 H8 Cl Li3 N8 O2 W -","- C32 H16 Cl2 Li6 N16 O4 W2 -","2","1","","Hodorowicz, Maciej; Szklarzewicz, Janusz; Jurowska, Anna","The versatility of lithium cation coordination modes in salts with [W(CN)6(bpy)]2- anion","CrystEngComm","2020","","","","","10.1039/D0CE00468E","","x-ray","0.71073","MoKα","","0.0428","0.0356","","","0.089","0.0929","","","","","","1.117","","","","has coordinates","252072","2020-10-21","18:00:00",""
"7240539","9.2411","0.0003","9.5189","0.0003","13.394","0.0004","94.706","0.003","96.181","0.003","96.111","0.003","1159.48","0.06","100","2","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C16 H8 Li2 N8 O W -","- C16 H8 Li2 N8 O W -","- C32 H16 Li4 N16 O2 W2 -","2","1","","Hodorowicz, Maciej; Szklarzewicz, Janusz; Jurowska, Anna","The versatility of lithium cation coordination modes in salts with [W(CN)6(bpy)]2- anion","CrystEngComm","2020","","","","","10.1039/D0CE00468E","","x-ray","1.54184","CuKα","","0.0424","0.0401","","","0.1096","0.1116","","","","","","1.049","","","","has coordinates","252072","2020-10-21","18:00:00",""
"7240540","11.0411","0.0004","16.8624","0.0007","28.2059","0.0007","90","","90","","90","","5251.4","0.3","100","","100","","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C50 H36 Cl8 I4 N4 -","- C50 H36 Cl8 I4 N4 -","- C200 H144 Cl32 I16 N16 -","4","0.5","","Oburn, Shalisa M.; Santana, Carlos; Elacqua, Elizabeth; Groeneman , Ryan","A diamondoid net sustained by halogen bonds: employing a cyclobutane to generate a tetrahedral architecture","CrystEngComm","2020","","","","","10.1039/D0CE00627K","","","0.71073","MoKα","","0.0144","0.014","","","0.0319","0.0323","","","","","","1.038","","","","has coordinates,has disorder","252073","2020-10-21","18:00:00",""
"7240546","7.1246","0.0003","10.0327","0.0004","29.6291","0.0014","90","","90","","90","","2117.86","0.16","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-(2-fluorophenyl)-1H-benzimidazole","2-(2-fluorophenyl)-1H-benzimidazole","","- C13 H9 F N2 -","- C13 H9 F N2 -","- C104 H72 F8 N16 -","8","1","","Bombicz, Petra Alexandra; May, Nóra Veronika; Fegyverneki, Daniel; Saranchimeg, Avirmed; Bereczki, Laura","Methods for easy recognition of isostructurality - Lab Jack-like crystal structures of halogenated 2-phenylbenzimidazoles","CrystEngComm","2020","","","","","10.1039/D0CE00410C","","","1.54187","CuKα","","0.1422","0.0944","","","0.1417","0.1583","","","","","","1.261","","","","has coordinates","252159","2020-10-21","18:00:00",""
"7240547","7.007","0.003","9.936","0.003","32.745","0.003","90","","90","","90","","2279.8","1.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-(2-Bromophenyl)-1H-benzimidazole","2-(2-Bromophenyl)-1H-benzimidazole","","- C13 H9 Br N2 -","- C13 H9 Br N2 -","- C104 H72 Br8 N16 -","8","1","","Bombicz, Petra Alexandra; May, Nóra Veronika; Fegyverneki, Daniel; Saranchimeg, Avirmed; Bereczki, Laura","Methods for easy recognition of isostructurality - Lab Jack-like crystal structures of halogenated 2-phenylbenzimidazoles","CrystEngComm","2020","","","","","10.1039/D0CE00410C","","","1.54178","CuKα","","0.0692","0.0629","","","0.1377","0.1418","","","","","","1.169","","","","has coordinates","252159","2020-10-21","18:00:00",""
"7240548","12.6755","0.0016","9.6559","0.0018","9.7645","0.0015","90","","111.638","0.009","90","","1110.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","meta-bromo-benzimidazole","2-(3-bromophenyl)-1H-benzo[d]imidazole","","- C13 H9 Br N2 -","- C13 H9 Br N2 -","- C52 H36 Br4 N8 -","4","1","","Bombicz, Petra Alexandra; May, Nóra Veronika; Fegyverneki, Daniel; Saranchimeg, Avirmed; Bereczki, Laura","Methods for easy recognition of isostructurality - Lab Jack-like crystal structures of halogenated 2-phenylbenzimidazoles","CrystEngComm","2020","","","","","10.1039/D0CE00410C","","","0.71073","MoKα","","0.1142","0.0832","","","0.1344","0.1543","","","","","","1.063","","","","has coordinates","252159","2020-10-21","18:00:00",""
"7240549","12.5894","0.001","9.5051","0.0008","9.7495","0.0007","90","","111.933","0.008","90","","1082.22","0.16","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-(3-Chlorophenyl)-1H-benzimidazole","2-(3-Chlorophenyl)-1H-benzimidazole","","- C13 H9 Cl N2 -","- C13 H9 Cl N2 -","- C52 H36 Cl4 N8 -","4","1","","Bombicz, Petra Alexandra; May, Nóra Veronika; Fegyverneki, Daniel; Saranchimeg, Avirmed; Bereczki, Laura","Methods for easy recognition of isostructurality - Lab Jack-like crystal structures of halogenated 2-phenylbenzimidazoles","CrystEngComm","2020","","","","","10.1039/D0CE00410C","","","0.71075","MoKα","","0.1044","0.0706","","","0.1056","0.1155","","","","","","1.184","","","","has coordinates","252159","2020-10-21","18:00:00",""
"7240550","10.4024","0.0003","15.8557","0.0005","12.7928","0.0004","90","","97.894","0.002","90","","2090.02","0.11","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 F3 I O3 P S -","- C20 H17 F3 I O3 P S -","- C80 H68 F12 I4 O12 P4 S4 -","4","1","","Suslonov, Vitalii V.; Eliseeva, Anastasiya A.; Novikov, Alexander S.; Ivanov, Daniil M.; Dubovtsev, Alexey Yu.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu.","Tetrachloroplatinate(II) Anion as a Square-planar Tecton for Crystal Engineering Involving Halogen Bonding","CrystEngComm","2020","","","","","10.1039/D0CE00576B","","","0.71073","MoKα","","0.032","0.0258","","","0.0562","0.0591","","","","","","1.069","","","","has coordinates","252160","2020-10-21","18:00:00",""
"7240551","18.3265","0.0006","13.069","0.0003","18.5735","0.0006","90","","119.538","0.004","90","","3870.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H34 Cl4 I2 P2 Pt -","- C38 H34 Cl4 I2 P2 Pt -","- C152 H136 Cl16 I8 P8 Pt4 -","4","1","","Suslonov, Vitalii V.; Eliseeva, Anastasiya A.; Novikov, Alexander S.; Ivanov, Daniil M.; Dubovtsev, Alexey Yu.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu.","Tetrachloroplatinate(II) Anion as a Square-planar Tecton for Crystal Engineering Involving Halogen Bonding","CrystEngComm","2020","","","","","10.1039/D0CE00576B","","","0.71073","MoKα","","0.0534","0.0456","","","0.0944","0.0976","","","","","","1.182","","","","has coordinates","252160","2020-10-21","18:00:00",""
"7240552","10.8208","0.0005","12.0593","0.0006","14.2648","0.0007","109.418","0.004","92.227","0.004","97.782","0.004","1732.36","0.15","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C78 H60 Cl4 F4 I2 N2 P4 Pt -","- C78 H60 Cl4 F4 I2 N2 P4 Pt -","- C78 H60 Cl4 F4 I2 N2 P4 Pt -","1","0.5","","Suslonov, Vitalii V.; Eliseeva, Anastasiya A.; Novikov, Alexander S.; Ivanov, Daniil M.; Dubovtsev, Alexey Yu.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu.","Tetrachloroplatinate(II) Anion as a Square-planar Tecton for Crystal Engineering Involving Halogen Bonding","CrystEngComm","2020","","","","","10.1039/D0CE00576B","","","0.71073","MoKα","","0.0378","0.0308","","","0.0663","0.0708","","","","","","1.045","","","","has coordinates","252160","2020-10-21","18:00:00",""
"7240564","8.3651","0.0006","9.9433","0.0007","27.584","0.002","90","","90","","90","","2294.3","0.3","100","2","100.04","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","catena-(bis(/m2-beta-Alanine)-lithium perchlotate)","","- C6 H14 Cl Li N2 O8 -","- C6 H14 Cl Li N2 O8 -","- C48 H112 Cl8 Li8 N16 O64 -","8","1","","Marek, Paulina Halina; Cichowicz, Grzegorz; Osowicka, Dorota; Madura, Izabela Dorota; Dobrzycki, Lukasz; Cyranski, Michal; Ciesielski, Arkadiusz","Polymorphism and structural diversities of LiClO4 - β-alanine ionic co-crystals","CrystEngComm","2020","","","","","10.1039/D0CE00592D","","","0.71073","MoKα","","0.0403","0.0358","","","0.0835","0.086","","","","","","1.178","","","","has coordinates","252267","2020-10-21","18:00:00",""
"7240565","24.143","0.003","5.0111","0.0007","14.528","0.002","90","","125.825","0.003","90","","1425.1","0.3","100","2","100.01","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","catena-(/m-3-beta-Alanine-lithium perchlorate)","","- C3 H7 Cl Li N O6 -","- C3 H7 Cl Li N O6 -","- C24 H56 Cl8 Li8 N8 O48 -","8","1","","Marek, Paulina Halina; Cichowicz, Grzegorz; Osowicka, Dorota; Madura, Izabela Dorota; Dobrzycki, Lukasz; Cyranski, Michal; Ciesielski, Arkadiusz","Polymorphism and structural diversities of LiClO4 - β-alanine ionic co-crystals","CrystEngComm","2020","","","","","10.1039/D0CE00592D","","","0.71073","MoKα","","0.0306","0.0276","","","0.0706","0.0727","","","","","","1.109","","","","has coordinates","252267","2020-10-21","18:00:00",""
"7240566","4.9667","0.0006","8.441","0.0011","13.941","0.0018","90","","95.899","0.004","90","","581.37","0.13","100","0.5","100","0.5","","","","","","","","6","P 1 21 1","P 2yb","4","","catena-(bis(/m-2-beta-Alanine)-lithium perchlorate)","","- C6 H14 Cl Li N2 O8 -","- C6 H14 Cl Li N2 O8 -","- C12 H28 Cl2 Li2 N4 O16 -","2","1","","Marek, Paulina Halina; Cichowicz, Grzegorz; Osowicka, Dorota; Madura, Izabela Dorota; Dobrzycki, Lukasz; Cyranski, Michal; Ciesielski, Arkadiusz","Polymorphism and structural diversities of LiClO4 - β-alanine ionic co-crystals","CrystEngComm","2020","","","","","10.1039/D0CE00592D","","","0.71073","MoKα","","0.0264","0.0258","","","0.0644","0.0648","","","","","","1.081","","","","has coordinates,has disorder","252267","2020-10-21","18:00:00",""
"7240567","14.625","0.0012","16.5741","0.0014","16.2669","0.0014","90","","107.071","0.003","90","","3769.3","0.6","298","2","298","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C56 H98 N16 Ni2 O13 V4 -","- C56 H98 N16 Ni2 O13 V4 -","- C112 H196 N32 Ni4 O26 V8 -","2","0.5","","Dou, Ming-Yu; Zhong, Dan-Dan; Huang, Xianqiang; Yang, Guo-Yu","Imidazole-induced self-assembly of polyoxovanadate cluster organic framework for efficient Knoevenagel condensation under mild conditions","CrystEngComm","2020","","","","","10.1039/D0CE00660B","","","0.71073","MoKα","","0.1794","0.0755","","","0.1968","0.2369","","","","","","0.853","","","","has coordinates","252294","2020-10-21","18:00:00",""
"7240568","11.876","0.0009","12.2282","0.0011","17.4796","0.0014","90","","101.696","0.003","90","","2485.7","0.4","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H54 N8 Ni2 O38 V10 -","- C20 H54 N8 Ni2 O38 V10 -","- C40 H108 N16 Ni4 O76 V20 -","2","0.5","","Dou, Ming-Yu; Zhong, Dan-Dan; Huang, Xianqiang; Yang, Guo-Yu","Imidazole-induced self-assembly of polyoxovanadate cluster organic framework for efficient Knoevenagel condensation under mild conditions","CrystEngComm","2020","","","","","10.1039/D0CE00660B","","","0.71073","MoKα","","0.1328","0.0856","","","0.2204","0.2432","","","","","","0.996","","","","has coordinates","252294","2020-10-21","18:00:00",""
"7240569","19.4747","0.0016","9.2565","0.0008","14.0833","0.0012","90","","106.177","0.002","90","","2438.2","0.4","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C12 H50 N4 Ni2 O42 V10 -","- C12 H50 N4 Ni2 O42 V10 -","- C24 H100 N8 Ni4 O84 V20 -","2","0.25","","Dou, Ming-Yu; Zhong, Dan-Dan; Huang, Xianqiang; Yang, Guo-Yu","Imidazole-induced self-assembly of polyoxovanadate cluster organic framework for efficient Knoevenagel condensation under mild conditions","CrystEngComm","2020","","","","","10.1039/D0CE00660B","","","0.71073","MoKα","","0.0744","0.0544","","","0.1546","0.172","","","","","","1.105","","","","has coordinates,has disorder","252294","2020-10-21","18:00:00",""
"7240570","23.2258","0.0013","13.1165","0.0006","27.3081","0.0015","90","","141.282","0.003","90","","5203.5","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H21 Cd N6 O7.5 -","- C26 H19.5 Cd N6 O7.5 -","- C208 H156 Cd8 N48 O60 -","8","1","","Liu, Qing; Tan, Jing-Yi; Zhang, Jian-Yong; Zhang, Na; Deng, Wei","R-Substituent induced structural diversity, synergistic effect and highly selective luminescence sensing for Fe3+ detection by post-synthetically modified Cd-MOFs","CrystEngComm","2020","","","","","10.1039/D0CE00476F","","","0.71073","MoKα","","0.0543","0.0383","","","0.0749","0.0829","","","","","","0.942","","","","has coordinates","252295","2020-10-21","18:00:00",""
"7240571","27.3745","0.0002","27.3745","0.0002","21.5185","0.0003","90","","90","","120","","13964.8","0.2","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C27 H27 Cd N5 O5 -","- C24 H20 Cd N4 O4 -","- C432 H360 Cd18 N72 O72 -","18","1","","Liu, Qing; Tan, Jing-Yi; Zhang, Jian-Yong; Zhang, Na; Deng, Wei","R-Substituent induced structural diversity, synergistic effect and highly selective luminescence sensing for Fe3+ detection by post-synthetically modified Cd-MOFs","CrystEngComm","2020","","","","","10.1039/D0CE00476F","","","1.54178","CuKα","","0.0447","0.0401","","","0.1031","0.1056","","","","","","1.054","","","","has coordinates","252295","2020-10-21","18:00:00",""
"7240572","15.9688","0.0012","13.5758","0.0011","24.2054","0.0019","90","","96.245","0.001","90","","5216.3","0.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H22 Cd N6 O6 -","- C27 H18 Cd N6 O4 -","- C216 H144 Cd8 N48 O32 -","8","1","","Liu, Qing; Tan, Jing-Yi; Zhang, Jian-Yong; Zhang, Na; Deng, Wei","R-Substituent induced structural diversity, synergistic effect and highly selective luminescence sensing for Fe3+ detection by post-synthetically modified Cd-MOFs","CrystEngComm","2020","","","","","10.1039/D0CE00476F","","","0.71073","MoKα","","0.0773","0.0435","","","0.1106","0.1263","","","","","","0.826","","","","has coordinates","252295","2020-10-21","18:00:00",""
"7240573","16.1586","0.0006","13.6399","0.0006","24.0329","0.0008","90","","95.622","0.003","90","","5271.4","0.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H19 Cd N7 O8 -","- C26 H15 Cd N7 O6 -","- C208 H120 Cd8 N56 O48 -","8","1","","Liu, Qing; Tan, Jing-Yi; Zhang, Jian-Yong; Zhang, Na; Deng, Wei","R-Substituent induced structural diversity, synergistic effect and highly selective luminescence sensing for Fe3+ detection by post-synthetically modified Cd-MOFs","CrystEngComm","2020","","","","","10.1039/D0CE00476F","","","1.54178","CuKα","","0.0494","0.0427","","","0.1377","0.1447","","","","","","1.062","","","","has coordinates","252295","2020-10-21","18:00:00",""
"7240574","23.0883","0.0006","23.0883","0.0006","47.6538","0.0017","90","","90","","120","","21999.5","1.1","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C20 H12 Cd N4 O4 -","- C20 H12 Cd N4 O4 -","- C720 H432 Cd36 N144 O144 -","36","1","","Liu, Qing; Tan, Jing-Yi; Zhang, Jian-Yong; Zhang, Na; Deng, Wei","R-Substituent induced structural diversity, synergistic effect and highly selective luminescence sensing for Fe3+ detection by post-synthetically modified Cd-MOFs","CrystEngComm","2020","","","","","10.1039/D0CE00476F","","","0.71073","MoKα","","0.1259","0.0597","","","0.1317","0.1576","","","","","","0.862","","","","has coordinates","252295","2020-10-21","18:00:00",""
"7240575","15.6834","0.0005","13.4629","0.0004","23.9857","0.0009","90","","95.29","0.003","90","","5042.9","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 Cd N6 O5.5 -","- C26 H18 Cd N6 O5.5 -","- C208 H144 Cd8 N48 O44 -","8","1","","Liu, Qing; Tan, Jing-Yi; Zhang, Jian-Yong; Zhang, Na; Deng, Wei","R-Substituent induced structural diversity, synergistic effect and highly selective luminescence sensing for Fe3+ detection by post-synthetically modified Cd-MOFs","CrystEngComm","2020","","","","","10.1039/D0CE00476F","","","1.54184","CuKα","","0.0389","0.0326","","","0.0919","0.0997","","","","","","0.809","","","","has coordinates","252295","2020-10-21","18:00:00",""
"7240576","10.5292","0.0009","11.1315","0.001","15.3249","0.0014","73.201","0.003","78.789","0.003","77.578","0.002","1662.4","0.3","","","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H23 Cu N6 O9 -","- C22 H23 Cu N6 O9 -","- C44 H46 Cu2 N12 O18 -","2","1","","I., Mantasha; Shahid, M.; Saleh, Hatem A. M.; Qasem, Khalil M. A.; Ahmad, Musheer","A novel sustainable metal organic framework as the ultimate aqueous phase sensor for natural hazards: detection of nitrobenzene and F− at the ppb level and rapid and selective adsorption of methylene blue","CrystEngComm","2020","","","","","10.1039/D0CE00356E","","","0.71073","MoKα","","0.077","0.0567","","","0.1612","0.1761","","","","","","1.1396","","","","has coordinates","252296","2020-10-21","18:00:00",""
"7240577","16.8829","0.0011","35.023","0.002","15.955","0.001","90","","91.019","0.001","90","","9432.5","1","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C80.21 H81.43 N19 O22.43 Ru S6 -","- C80.212 H81.424 N19 O22.424 Ru S6 -","- C320.848 H325.696 N76 O89.696 Ru4 S24 -","4","0.5","","Handke, Marcel; Wu, Yang; Li, Yuantao; Hu, Chunhua T.; Ward, Michael D.","Encapsulation of the [Ru(bpy)3]2+ luminophore in a unique hydrogen-bonded host framework","CrystEngComm","2020","","","","","10.1039/D0CE00680G","","","0.71073","MoKα","","0.0943","0.0827","","","0.2861","0.3128","","","","","","1.753","","","","has coordinates,has disorder","252297","2020-10-21","18:00:00",""
"7240583","4.9726","0.0002","14.6836","0.0005","14.4255","0.0005","90","","98.154","0.004","90","","1042.64","0.07","100","0.1","100","0.1","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C24 H17 N5 O4 Se -","- C24 H17 N5 O4 Se -","- C48 H34 N10 O8 Se2 -","2","1","","Fellowes, Thomas; van Koeverden, Martin P.; White, Jonathan","Thermal conversion of a pyridine solvate to a de-solvate facilitated by rearrangement of chalcogen bonds. The solvate and non-solvate structures of N-(2-nitro-4-(3-oxobenzo[d][1,2]selenazol-2(3H)-yl)phenyl)picolinamide","CrystEngComm","2020","","","","","10.1039/D0CE00662A","","x-ray","1.54184","CuKα","","0.0447","0.0422","","","0.1088","0.1106","","","","","","1.099","","","","has coordinates","252419","2020-10-21","18:00:00",""
"7240584","12.652","0.003","7.525","0.0015","34.367","0.007","90","","90","","90","","3272","1.2","100","0.2","100","0.2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H12 N4 O4 Se -","- C19 H12 N4 O4 Se -","- C152 H96 N32 O32 Se8 -","8","1","","Fellowes, Thomas; van Koeverden, Martin P.; White, Jonathan","Thermal conversion of a pyridine solvate to a de-solvate facilitated by rearrangement of chalcogen bonds. The solvate and non-solvate structures of N-(2-nitro-4-(3-oxobenzo[d][1,2]selenazol-2(3H)-yl)phenyl)picolinamide","CrystEngComm","2020","","","","","10.1039/D0CE00662A","","","0.82656","Synchrotron","","0.0758","0.0601","","","0.1641","0.1802","","","","","","1.037","","","","has coordinates","252419","2020-10-21","18:00:00",""
"7240586","12.4021","0.0012","12.3286","0.0012","13.1324","0.0013","90","","105.544","0.001","90","","1934.5","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 Cu N7 O8 -","- C17 H15 Cu N7 O8 -","- C68 H60 Cu4 N28 O32 -","4","1","","Jiang, Zhan-Guo; Wu, Xin; Xu, Zhong-Xuan; Zhan, Cai-Hong; Zhang, Jian","Synthesis and photocatalytic activities of two homochiral metal-organic frameworks with cages and hydrogen bonding helices","CrystEngComm","2020","","","","","10.1039/D0CE00700E","","","0.71073","MoKα","","0.036","0.0288","","","0.0772","0.083","","","","","","1.001","","","","has coordinates","252467","2020-10-21","18:00:00",""
"7240587","10.272","0.003","15.184","0.004","16.2","0.004","100.009","0.003","99.61","0.003","108.045","0.003","2299.2","1.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H34 Cu2 N14 O18 -","- C42 H34 Cu2 N14 O18 -","- C84 H68 Cu4 N28 O36 -","2","1","","Jiang, Zhan-Guo; Wu, Xin; Xu, Zhong-Xuan; Zhan, Cai-Hong; Zhang, Jian","Synthesis and photocatalytic activities of two homochiral metal-organic frameworks with cages and hydrogen bonding helices","CrystEngComm","2020","","","","","10.1039/D0CE00700E","","","0.71073","MoKα","","0.0942","0.0546","","","0.1336","0.1587","","","","","","1.011","","","","has coordinates","252467","2020-10-21","18:00:00",""
"7240588","7.2353","0.0005","11.8726","0.001","14.19","0.001","108.038","0.007","100.678","0.006","101.982","0.007","1092.21","0.16","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H34 Ag2 N4 O10 -","- C52 H34 Ag2 N4 O10 -","- C52 H34 Ag2 N4 O10 -","1","0.5","","Baruah, Jubaraj Bikash; Singh, Munendra Pal","Photophysical Properties of Ag, Zn, Cd having N-(4-Pyridylmethyl)-1,8-naphthalimide Complexes: Influences of π-Stacking and C-H···O Interactions","CrystEngComm","2020","","","","","10.1039/D0CE00555J","","","0.71073","MoKα","","0.0768","0.0498","","","0.1313","0.1754","","","","","","1.033","","","","has coordinates","252468","2020-10-21","18:00:00",""
"7240589","7.6965","0.0005","17.3729","0.0011","17.6113","0.0011","90","","95.011","0.004","90","","2345.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H42 N4 O12 Zn -","- C54 H42 N4 O12 Zn -","- C108 H84 N8 O24 Zn2 -","2","0.5","","Baruah, Jubaraj Bikash; Singh, Munendra Pal","Photophysical Properties of Ag, Zn, Cd having N-(4-Pyridylmethyl)-1,8-naphthalimide Complexes: Influences of π-Stacking and C-H···O Interactions","CrystEngComm","2020","","","","","10.1039/D0CE00555J","","","0.71073","MoKα","","0.0641","0.0404","","","0.1183","0.1297","","","","","","1.053","","","","has coordinates","252468","2020-10-21","18:00:00",""
"7240590","7.5973","0.0005","17.7923","0.0012","17.7217","0.0012","90","","92.451","0.004","90","","2393.3","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H42 Cd N4 O12 -","- C54 H42 Cd N4 O12 -","- C108 H84 Cd2 N8 O24 -","2","0.5","","Baruah, Jubaraj Bikash; Singh, Munendra Pal","Photophysical Properties of Ag, Zn, Cd having N-(4-Pyridylmethyl)-1,8-naphthalimide Complexes: Influences of π-Stacking and C-H···O Interactions","CrystEngComm","2020","","","","","10.1039/D0CE00555J","","","0.71073","MoKα","","0.0658","0.0439","","","0.1166","0.1257","","","","","","1.044","","","","has coordinates","252468","2020-10-21","18:00:00",""
"7240598","9.7632","0.0018","7.9567","0.0015","12.92","0.003","90","","106.11","0.02","90","","964.2","0.4","293","2","293.15","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C15 H18 Eu2 O15 -","- C15 H18 Eu2 O15 -","- C30 H36 Eu4 O30 -","2","0.5","","Bo, Qi-Bing; Wang, Jia-Yin; Shi, Yang; Tao, Dong-Liang; Yin, Guo-Yin","2D chain layer versus 1D chain: rigid aromatic benzoate disassembling flexible alicyclic dicarboxylate-based lanthanide coordination polymers with enhanced photoluminescence and characteristic behavior of single-molecule magnet.","CrystEngComm","2020","","","","","10.1039/D0CE00583E","","x-ray","0.71073","MoKα","","0.0328","0.0251","","","0.055","0.0595","","","","","","1.071","","","","has coordinates","252627","2020-10-21","18:00:00",""
"7240599","13.802","0.003","7.5145","0.0003","23.844","0.006","90","","148","0.06","90","","1310","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 Eu O7 -","- C12 H11 Eu O7 -","- C48 H44 Eu4 O28 -","4","1","","Bo, Qi-Bing; Wang, Jia-Yin; Shi, Yang; Tao, Dong-Liang; Yin, Guo-Yin","2D chain layer versus 1D chain: rigid aromatic benzoate disassembling flexible alicyclic dicarboxylate-based lanthanide coordination polymers with enhanced photoluminescence and characteristic behavior of single-molecule magnet.","CrystEngComm","2020","","","","","10.1039/D0CE00583E","","x-ray","0.71073","MoKα","","0.0281","0.0213","","","0.0443","0.047","","","","","","1.062","","","","has coordinates","252627","2020-10-21","18:00:00",""
"7240600","9.7575","0.0009","7.9696","0.0007","12.8428","0.0015","90","","106.131","0.011","90","","959.38","0.17","293","2","293.15","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C15 H18 O15 Tb2 -","- C15 H18 O15 Tb2 -","- C30 H36 O30 Tb4 -","2","0.5","","Bo, Qi-Bing; Wang, Jia-Yin; Shi, Yang; Tao, Dong-Liang; Yin, Guo-Yin","2D chain layer versus 1D chain: rigid aromatic benzoate disassembling flexible alicyclic dicarboxylate-based lanthanide coordination polymers with enhanced photoluminescence and characteristic behavior of single-molecule magnet.","CrystEngComm","2020","","","","","10.1039/D0CE00583E","","x-ray","0.71","MoKα","","0.0709","0.0613","","","0.1448","0.1534","","","","","","1.087","","","","has coordinates","252627","2020-10-21","18:00:00",""
"7240601","13.758","0.003","7.4103","0.0002","23.889","0.005","90","","148.21","0.05","90","","1283","1.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 Dy O7 -","- C12 H11 Dy O7 -","- C48 H44 Dy4 O28 -","4","1","","Bo, Qi-Bing; Wang, Jia-Yin; Shi, Yang; Tao, Dong-Liang; Yin, Guo-Yin","2D chain layer versus 1D chain: rigid aromatic benzoate disassembling flexible alicyclic dicarboxylate-based lanthanide coordination polymers with enhanced photoluminescence and characteristic behavior of single-molecule magnet.","CrystEngComm","2020","","","","","10.1039/D0CE00583E","","x-ray","0.71073","MoKα","","0.022","0.0182","","","0.0417","0.0433","","","","","","1.094","","","","has coordinates","252627","2020-10-21","18:00:00",""
"7240602","13.79","0.008","7.4571","0.0008","23.894","0.014","90","","148.12","0.15","90","","1298","6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 O7 Tb -","- C12 H11 O7 Tb -","- C48 H44 O28 Tb4 -","4","1","","Bo, Qi-Bing; Wang, Jia-Yin; Shi, Yang; Tao, Dong-Liang; Yin, Guo-Yin","2D chain layer versus 1D chain: rigid aromatic benzoate disassembling flexible alicyclic dicarboxylate-based lanthanide coordination polymers with enhanced photoluminescence and characteristic behavior of single-molecule magnet.","CrystEngComm","2020","","","","","10.1039/D0CE00583E","","x-ray","0.71073","MoKα","","0.0957","0.0759","","","0.185","0.2067","","","","","","1.068","","","","has coordinates","252627","2020-10-21","18:00:00",""
"7240603","9.759","0.002","7.9677","0.0016","12.79","0.003","90","","106.22","0.03","90","","954.9","0.4","293","2","293.15","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C15 H18 Dy2 O15 -","- C15 H18 Dy2 O15 -","- C30 H36 Dy4 O30 -","2","0.5","","Bo, Qi-Bing; Wang, Jia-Yin; Shi, Yang; Tao, Dong-Liang; Yin, Guo-Yin","2D chain layer versus 1D chain: rigid aromatic benzoate disassembling flexible alicyclic dicarboxylate-based lanthanide coordination polymers with enhanced photoluminescence and characteristic behavior of single-molecule magnet.","CrystEngComm","2020","","","","","10.1039/D0CE00583E","","x-ray","0.71","MoKα","","0.11","0.0963","","","0.2124","0.2233","","","","","","1.076","","","","has coordinates","252627","2020-10-21","18:00:00",""
"7240604","7.597","0.003","9.73","0.004","37.763","0.014","84.846","0.009","86.089","0.008","88.219","0.009","2772.8","1.9","100","2","100","2","","","","","","","","3","P 1","P 1","1","","","","- C123 H210 O6 -","- C123 H210 O6 -","- C123 H210 O6 -","1","1","","Prohens, Rafel; Barbas, Rafael; Bofill, Lidia; de Sande, Dafne; Font-Bardia, Merce","Crystal Engineering of Nutraceutical Phytosterols: New Cocrystal Solid-Solutions","CrystEngComm","2020","","","","","10.1039/D0CE00704H","","","0.71073","MoKα","","0.0729","0.0461","","","0.0903","0.0964","","","","","","0.907","","","","has coordinates","252628","2020-10-21","18:00:00",""
"7240605","10.7439","0.0005","13.6989","0.0006","38.1228","0.0019","90","","93.002","0.002","90","","5603.2","0.5","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Sitosterol Gallic acid cocrystal","","- C123 H206 O9 -","- C123 H206 O9 -","- C246 H412 O18 -","2","1","","Prohens, Rafel; Barbas, Rafael; Bofill, Lidia; de Sande, Dafne; Font-Bardia, Merce","Crystal Engineering of Nutraceutical Phytosterols: New Cocrystal Solid-Solutions","CrystEngComm","2020","","","","","10.1039/D0CE00704H","","","0.71073","MoKα","","0.1117","0.0897","","","0.2458","0.2775","","","","","","1.053","","","","has coordinates","252628","2020-10-21","18:00:00",""
"7240606","9.439","0.002","7.5391","0.0016","39.635","0.008","90","","95.216","0.006","90","","2808.8","1","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C61 H108 O5 -","- C61 H108 O5 -","- C122 H216 O10 -","2","1","","Prohens, Rafel; Barbas, Rafael; Bofill, Lidia; de Sande, Dafne; Font-Bardia, Merce","Crystal Engineering of Nutraceutical Phytosterols: New Cocrystal Solid-Solutions","CrystEngComm","2020","","","","","10.1039/D0CE00704H","","","0.71073","MoKα","","0.3086","0.0446","","","0.0582","0.092","","","","","","0.743","","","","has coordinates","252628","2020-10-21","18:00:00",""
"7240607","7.581","0.002","9.702","0.003","36.973","0.009","82.962","0.005","86.112","0.005","89.74","0.005","2692.7","1.3","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C121 H209 N O6 -","- C121 H209 N O6 -","- C121 H209 N O6 -","1","1","","Prohens, Rafel; Barbas, Rafael; Bofill, Lidia; de Sande, Dafne; Font-Bardia, Merce","Crystal Engineering of Nutraceutical Phytosterols: New Cocrystal Solid-Solutions","CrystEngComm","2020","","","","","10.1039/D0CE00704H","","","0.71073","MoKα","","0.1676","0.1056","","","0.1872","0.2302","","","","","","1.314","","","","has coordinates","252628","2020-10-21","18:00:00",""
"7240608","77.42","0.02","7.6086","0.0018","9.924","0.003","90","","90.948","0.007","90","","5845","3","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C64 H109 O8 -","- C64 H109 O8 -","- C256 H436 O32 -","4","1","","Prohens, Rafel; Barbas, Rafael; Bofill, Lidia; de Sande, Dafne; Font-Bardia, Merce","Crystal Engineering of Nutraceutical Phytosterols: New Cocrystal Solid-Solutions","CrystEngComm","2020","","","","","10.1039/D0CE00704H","","","0.71073","MoKα","","0.158","0.0602","","","0.0934","0.1154","","","","","","0.881","","","","has coordinates","252628","2020-10-21","18:00:00",""
"7240609","26.373","0.003","7.4971","0.0007","27.183","0.003","90","","92.569","0.006","90","","5369.2","1","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Sitosterol Propionic acid hydrate cocrystal form II","","- C119 H208 O7 -","- C119 H208 O7 -","- C238 H416 O14 -","2","1","","Prohens, Rafel; Barbas, Rafael; Bofill, Lidia; de Sande, Dafne; Font-Bardia, Merce","Crystal Engineering of Nutraceutical Phytosterols: New Cocrystal Solid-Solutions","CrystEngComm","2020","","","","","10.1039/D0CE00704H","","","0.71073","MoKα","","0.3448","0.1012","","","0.1599","0.2356","","","","","","0.95","","","","has coordinates","252628","2020-10-21","18:00:00",""
"7240610","6.92433","0.00019","7.46902","0.00018","26.5125","0.0006","90","","90.785","0.002","90","","1371.04","0.06","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 Cl3 Ga N2 -","- C12 H10 Cl3 Ga N2 -","- C48 H40 Cl12 Ga4 N8 -","4","1","","Gugin, Nikita; Presypkina, Eugenia V.; Virovets, Alexander Viktorovich; Davydova, Elena I.; Timoshkin, Alexey Y.","Structural Variety of Aluminium and Gallium Coordination Polymers Based on Bis-pyridylethylene: From Molecular Complexes to Ionic Networks","CrystEngComm","2020","","","","","10.1039/D0CE00541J","","x-ray","1.54178","CuKα","","0.0357","0.0279","","","0.0688","0.0705","","","","","","0.965","","","","has coordinates","252629","2020-10-21","18:00:00",""
"7240611","6.51299","0.00012","11.7499","0.0003","12.0716","0.0002","90","","90.8579","0.0017","90","","923.7","0.03","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 Cl6 Ga2 N2 -","- C12 H10 Cl6 Ga2 N2 -","- C24 H20 Cl12 Ga4 N4 -","2","0.5","","Gugin, Nikita; Presypkina, Eugenia V.; Virovets, Alexander Viktorovich; Davydova, Elena I.; Timoshkin, Alexey Y.","Structural Variety of Aluminium and Gallium Coordination Polymers Based on Bis-pyridylethylene: From Molecular Complexes to Ionic Networks","CrystEngComm","2020","","","","","10.1039/D0CE00541J","","","1.54178","CuKα","","0.0251","0.0217","","","0.0557","0.0567","","","","","","0.985","","","","has coordinates","252629","2020-10-21","18:00:00",""
"7240612","6.5757","0.0003","11.6146","0.0004","12.0455","0.0004","90","","91.122","0.003","90","","919.79","0.06","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 Al2 Cl6 N2 -","- C12 H10 Al2 Cl6 N2 -","- C24 H20 Al4 Cl12 N4 -","2","0.5","","Gugin, Nikita; Presypkina, Eugenia V.; Virovets, Alexander Viktorovich; Davydova, Elena I.; Timoshkin, Alexey Y.","Structural Variety of Aluminium and Gallium Coordination Polymers Based on Bis-pyridylethylene: From Molecular Complexes to Ionic Networks","CrystEngComm","2020","","","","","10.1039/D0CE00541J","","x-ray","1.54178","CuKα","","0.0321","0.0239","","","0.0566","0.0583","","","","","","0.917","","","","has coordinates","252629","2020-10-21","18:00:00",""
"7240613","11.9814","0.0004","28.3968","0.0008","26.3183","0.0008","90","","100.16","0.003","90","","8814","0.5","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C84 H70 Cl12 Ga4 N14 -","- C84 H70 Cl12 Ga4 N14 -","- C336 H280 Cl48 Ga16 N56 -","4","1","","Gugin, Nikita; Presypkina, Eugenia V.; Virovets, Alexander Viktorovich; Davydova, Elena I.; Timoshkin, Alexey Y.","Structural Variety of Aluminium and Gallium Coordination Polymers Based on Bis-pyridylethylene: From Molecular Complexes to Ionic Networks","CrystEngComm","2020","","","","","10.1039/D0CE00541J","","x-ray","1.54178","CuKα","","0.0608","0.0311","","","0.0547","0.0609","","","","","","0.849","","","","has coordinates","252629","2020-10-21","18:00:00",""
"7240614","6.60794","0.00017","8.51954","0.00013","18.026","0.0003","90","","96.55","0.002","90","","1008.18","0.03","123","0.14","123","0.14","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Al2 Br6 N2 -","- C12 H10 Al2 Br6 N2 -","- C24 H20 Al4 Br12 N4 -","2","0.5","","Gugin, Nikita; Presypkina, Eugenia V.; Virovets, Alexander Viktorovich; Davydova, Elena I.; Timoshkin, Alexey Y.","Structural Variety of Aluminium and Gallium Coordination Polymers Based on Bis-pyridylethylene: From Molecular Complexes to Ionic Networks","CrystEngComm","2020","","","","","10.1039/D0CE00541J","","x-ray","1.54184","CuKα","","0.0188","0.0174","","","0.038","0.0386","","","","","","1.119","","","","has coordinates","252629","2020-10-21","18:00:00",""
"7240615","6.56821","0.00014","8.50459","0.00016","18.1626","0.0004","90","","96.7181","0.0019","90","","1007.6","0.04","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","beta polymorph","","","- C12 H10 Br6 Ga2 N2 -","- C12 H10 Br6 Ga2 N2 -","- C24 H20 Br12 Ga4 N4 -","2","0.5","","Gugin, Nikita; Presypkina, Eugenia V.; Virovets, Alexander Viktorovich; Davydova, Elena I.; Timoshkin, Alexey Y.","Structural Variety of Aluminium and Gallium Coordination Polymers Based on Bis-pyridylethylene: From Molecular Complexes to Ionic Networks","CrystEngComm","2020","","","","","10.1039/D0CE00541J","","","1.54178","CuKα","","0.0298","0.0243","","","0.0612","0.0627","","","","","","0.987","","","","has coordinates","252629","2020-10-21","18:00:00",""
"7240616","6.51032","0.00016","12.2531","0.0003","12.4379","0.0003","90","","90.552","0.002","90","","992.15","0.04","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","alpha-polymorph","","","- C12 H10 Br6 Ga2 N2 -","- C12 H10 Br6 Ga2 N2 -","- C24 H20 Br12 Ga4 N4 -","2","0.5","","Gugin, Nikita; Presypkina, Eugenia V.; Virovets, Alexander Viktorovich; Davydova, Elena I.; Timoshkin, Alexey Y.","Structural Variety of Aluminium and Gallium Coordination Polymers Based on Bis-pyridylethylene: From Molecular Complexes to Ionic Networks","CrystEngComm","2020","","","","","10.1039/D0CE00541J","","","1.54178","CuKα","","0.0441","0.0332","","","0.0885","0.0927","","","","","","0.999","","","","has coordinates","252629","2020-10-21","18:00:00",""
"7240617","11.6526","0.0003","14.1736","0.0003","16.6431","0.0004","106.005","0.002","97.842","0.002","91.731","0.002","2610.86","0.11","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H30 Al4 Br12 N6 -","- C36 H30 Al4 Br12 N6 -","- C72 H60 Al8 Br24 N12 -","2","1","","Gugin, Nikita; Presypkina, Eugenia V.; Virovets, Alexander Viktorovich; Davydova, Elena I.; Timoshkin, Alexey Y.","Structural Variety of Aluminium and Gallium Coordination Polymers Based on Bis-pyridylethylene: From Molecular Complexes to Ionic Networks","CrystEngComm","2020","","","","","10.1039/D0CE00541J","","","1.54178","CuKα","","0.0329","0.0288","","","0.0709","0.0736","","","","","","1.026","","","","has coordinates,has disorder","252629","2020-10-21","18:00:00",""
"7240618","13.0928","0.0007","14.0601","0.001","14.3775","0.0007","95.542","0.005","96.105","0.004","106.587","0.005","2499.7","0.3","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H80 Br12 Ga4 N16 -","- C96 H80 Br12 Ga4 N16 -","- C96 H80 Br12 Ga4 N16 -","1","0.5","","Gugin, Nikita; Presypkina, Eugenia V.; Virovets, Alexander Viktorovich; Davydova, Elena I.; Timoshkin, Alexey Y.","Structural Variety of Aluminium and Gallium Coordination Polymers Based on Bis-pyridylethylene: From Molecular Complexes to Ionic Networks","CrystEngComm","2020","","","","","10.1039/D0CE00541J","","","1.54178","CuKα","","0.0878","0.0709","","","0.1927","0.2078","","","","","","1.088","","","","has coordinates,has disorder","252629","2020-10-21","18:00:00",""
"7240619","7.5187","0.0003","8.8335","0.0003","11.7115","0.0005","79.201","0.003","84.35","0.003","76.67","0.003","742.23","0.05","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 Br6 Ga2 N4 -","- C24 H20 Br6 Ga2 N4 -","- C24 H20 Br6 Ga2 N4 -","1","0.5","","Gugin, Nikita; Presypkina, Eugenia V.; Virovets, Alexander Viktorovich; Davydova, Elena I.; Timoshkin, Alexey Y.","Structural Variety of Aluminium and Gallium Coordination Polymers Based on Bis-pyridylethylene: From Molecular Complexes to Ionic Networks","CrystEngComm","2020","","","","","10.1039/D0CE00541J","","","1.54178","CuKα","","0.0232","0.0198","","","0.0487","0.0494","","","","","","0.967","","","","has coordinates","252629","2020-10-21","18:00:00",""
"7240620","23.547","0.0007","12.0475","0.0003","8.0311","0.0002","90","","90","","90","","2278.28","0.1","90","2","90","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C12 H11 Br N2 -","- C12 H11 Br N2 -","- C96 H88 Br8 N16 -","8","1","","Gugin, Nikita; Presypkina, Eugenia V.; Virovets, Alexander Viktorovich; Davydova, Elena I.; Timoshkin, Alexey Y.","Structural Variety of Aluminium and Gallium Coordination Polymers Based on Bis-pyridylethylene: From Molecular Complexes to Ionic Networks","CrystEngComm","2020","","","","","10.1039/D0CE00541J","","x-ray","1.54178","CuKα","","0.0583","0.0355","","","0.0698","0.0737","","","","","","1.006","","","","has coordinates,has disorder","252629","2020-10-21","18:00:00",""
"7240621","11.3604","0.0004","13.2572","0.0004","14.17","0.0004","82.947","0.002","89.402","0.002","73.162","0.003","2026.44","0.12","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H60 Al4 Br12 N12 -","- C72 H60 Al4 Br12 N12 -","- C72 H60 Al4 Br12 N12 -","1","0.5","","Gugin, Nikita; Presypkina, Eugenia V.; Virovets, Alexander Viktorovich; Davydova, Elena I.; Timoshkin, Alexey Y.","Structural Variety of Aluminium and Gallium Coordination Polymers Based on Bis-pyridylethylene: From Molecular Complexes to Ionic Networks","CrystEngComm","2020","","","","","10.1039/D0CE00541J","","x-ray","1.54178","CuKα","","0.0565","0.047","","","0.122","0.1254","","","","","","1.061","","","","has coordinates,has disorder","252629","2020-10-21","18:00:00",""
"7240622","12.0435","0.0002","28.2798","0.0005","26.113","0.0004","90","","99.9744","0.0017","90","","8759.3","0.3","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C84 H70 Al4 Cl12 N14 -","- C84 H70 Al4 Cl12 N14 -","- C336 H280 Al16 Cl48 N56 -","4","1","","Gugin, Nikita; Presypkina, Eugenia V.; Virovets, Alexander Viktorovich; Davydova, Elena I.; Timoshkin, Alexey Y.","Structural Variety of Aluminium and Gallium Coordination Polymers Based on Bis-pyridylethylene: From Molecular Complexes to Ionic Networks","CrystEngComm","2020","","","","","10.1039/D0CE00541J","","x-ray","1.54178","CuKα","","0.0535","0.0367","","","0.0814","0.0853","","","","","","0.963","","","","has coordinates,has disorder","252629","2020-10-21","18:00:00",""
"7240628","11.7767","0.0007","13.3468","0.0011","19.3209","0.0011","81.5632","0.0016","79.7047","0.0011","72.2832","0.0009","2832.4","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H88 Dy K N4 O2 -","- C60 H88 Dy K N4 O2 -","- C120 H176 Dy2 K2 N8 O4 -","2","1","","Long, Jérôme; Tolpygin, Aleksei; Cherkasov, Anton; Lyssenko, Konstantin A.; Guari, Yannick; Larionova, Joulia; Trifonov, Alexander","Investigation of the Slow Relaxation of the Magnetization Dynamics in Homoleptic Ene-Diamido Organodysprosium(III) Complexes with K+/Arene Interactions","CrystEngComm","2020","","","","","10.1039/D0CE00611D","","","0.71073","MoKα","","0.0319","0.0266","","","0.0573","0.0593","","","","","","1.032","","","","has coordinates,has disorder","252660","2020-10-21","18:00:00",""
"7240629","10.9833","0.0001","27.4951","0.0003","20.5502","0.0002","90","","98.202","0.001","90","","6142.41","0.11","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H96 Dy K N4 O2 -","- C64 H96 Dy K N4 O2 -","- C256 H384 Dy4 K4 N16 O8 -","4","1","","Long, Jérôme; Tolpygin, Aleksei; Cherkasov, Anton; Lyssenko, Konstantin A.; Guari, Yannick; Larionova, Joulia; Trifonov, Alexander","Investigation of the Slow Relaxation of the Magnetization Dynamics in Homoleptic Ene-Diamido Organodysprosium(III) Complexes with K+/Arene Interactions","CrystEngComm","2020","","","","","10.1039/D0CE00611D","","","0.71073","MoKα","","0.0544","0.0313","","","0.062","0.0693","","","","","","1.017","","","","has coordinates,has disorder","252660","2020-10-21","18:00:00",""
"7240630","5.478","0.0015","5.2268","0.0015","12.296","0.003","90","","99.28","0.05","90","","347.46","0.17","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","2,5-Dinitrophenol","2,5-Dinitrophenol","","- C6 H4 N2 O5 -","- C6 H4 N2 O5 -","- C12 H8 N4 O10 -","2","1","","Bryndal, Iwona; Drozd, Marek; Lis, Tadeusz; Zaręba, Jan Kazimierz; Ratajczak, Henryk","Structural diversity of hydrogen-bonded complexes comprising phenol-based and pyridine-based components: NLO properties, crystallographic and spectroscopic studies","CrystEngComm","2020","","","","","10.1039/D0CE00606H","","","0.71073","MoKα","","0.1033","0.0771","","","0.1764","0.2074","","","","","","1.108","","","","has coordinates","252661","2020-10-21","18:00:00",""
"7240631","30.03","0.009","3.728","0.0009","21.08","0.008","90","","90","","90","","2359.9","1.3","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","2-aminopyridinium 2,5-dinitrophenolate","2-aminopyridinium 2,5-dinitrophenolate","","- C11 H10 N4 O5 -","- C11 H10 N4 O5 -","- C88 H80 N32 O40 -","8","2","","Bryndal, Iwona; Drozd, Marek; Lis, Tadeusz; Zaręba, Jan Kazimierz; Ratajczak, Henryk","Structural diversity of hydrogen-bonded complexes comprising phenol-based and pyridine-based components: NLO properties, crystallographic and spectroscopic studies","CrystEngComm","2020","","","","","10.1039/D0CE00606H","","","0.71073","MoKα","","0.1611","0.0811","","","0.1027","0.1283","","","","","","1.019","","","","has coordinates","252661","2020-10-21","18:00:00",""
"7240632","16.428","0.003","6.0198","0.0012","14.604","0.003","90","","100.02","0.02","90","","1422.2","0.5","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","3,5-dimethylpyridine 2,3,5,6-tetrachlorophenol","3,5-dimethylpyridine 2,3,5,6-tetrachlorophenol","","- C13 H11 Cl4 N O -","- C13 H11 Cl4 N O -","- C52 H44 Cl16 N4 O4 -","4","1","","Bryndal, Iwona; Drozd, Marek; Lis, Tadeusz; Zaręba, Jan Kazimierz; Ratajczak, Henryk","Structural diversity of hydrogen-bonded complexes comprising phenol-based and pyridine-based components: NLO properties, crystallographic and spectroscopic studies","CrystEngComm","2020","","","","","10.1039/D0CE00606H","","","0.71073","MoKα","","0.0174","0.0174","","","0.0483","0.0483","","","","","","1.064","","","","has coordinates","252661","2020-10-21","18:00:00",""
"7240633","7.673","0.0018","15.707","0.003","24.892","0.005","90","","90","","90","","3000","1.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","2,3,6-trimethylpyridinium 2,3,5,6-tetrachlorophenolate","2,3,6-trimethylpyridinium 2,3,5,6-tetrachlorophenolate","","- C14 H13 Cl4 N O -","- C14 H13 Cl4 N O -","- C112 H104 Cl32 N8 O8 -","8","2","","Bryndal, Iwona; Drozd, Marek; Lis, Tadeusz; Zaręba, Jan Kazimierz; Ratajczak, Henryk","Structural diversity of hydrogen-bonded complexes comprising phenol-based and pyridine-based components: NLO properties, crystallographic and spectroscopic studies","CrystEngComm","2020","","","","","10.1039/D0CE00606H","","","0.71073","MoKα","","0.0484","0.0406","","","0.0796","0.0836","","","","","","1.059","","","","has coordinates","252661","2020-10-21","18:00:00",""
"7240634","13.249","0.005","10.91","0.004","11.697","0.004","90","","90","","90","","1690.8","1.1","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","2-aminopyridinium 4-nitrophenolate 4-nitrophenol","2-aminopyridinium 4-nitrophenolate 4-nitrophenol","","- C17 H16 N4 O6 -","- C17 H16 N4 O6 -","- C68 H64 N16 O24 -","4","1","","Bryndal, Iwona; Drozd, Marek; Lis, Tadeusz; Zaręba, Jan Kazimierz; Ratajczak, Henryk","Structural diversity of hydrogen-bonded complexes comprising phenol-based and pyridine-based components: NLO properties, crystallographic and spectroscopic studies","CrystEngComm","2020","","","","","10.1039/D0CE00606H","","","0.71073","MoKα","","0.1131","0.0671","","","0.1349","0.1643","","","","","","1.006","","","","has coordinates,has disorder","252661","2020-10-21","18:00:00",""
"7240654","7.2002","0.0014","17.795","0.004","8.1862","0.0016","90","","109.91","0.03","90","","986.2","0.4","153.15","","153.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H20 N14 Na2 O8 -","- C6 H20 N14 Na2 O8 -","- C12 H40 N28 Na4 O16 -","2","0.5","","Yang, Xiaoming; Wang, Yanna; Zhang, Weijing; Yin, Yanli; Li, Zhimin; Zhang, Tonglai","New nitrogen-rich heterocycle compound to build 3D energetic metal complexes","CrystEngComm","2020","","","","","10.1039/D0CE00791A","","","0.71073","MoKα","","0.0649","0.0553","","","0.147","0.1764","","","","","","1.193","","","","has coordinates,has disorder","252964","2020-10-21","18:00:00",""
"7240655","5.1663","0.001","10.327","0.002","7.6607","0.0015","90","","105.39","0.03","90","","394.06","0.14","153","2","153.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H7 N7 O2 -","- C5 H7 N7 O2 -","- C10 H14 N14 O4 -","2","0.5","","Yang, Xiaoming; Wang, Yanna; Zhang, Weijing; Yin, Yanli; Li, Zhimin; Zhang, Tonglai","New nitrogen-rich heterocycle compound to build 3D energetic metal complexes","CrystEngComm","2020","","","","","10.1039/D0CE00791A","","","0.71073","MoKα","","0.045","0.0443","","","0.0939","0.0943","","","","","","1.224","","","","has coordinates,has disorder","252964","2020-10-21","18:00:00",""
"7240656","3.717","0.002","12.459","0.006","7.693","0.004","90","","95.512","0.007","90","","354.6","0.3","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H8 K2 N14 O2 -","- C6 H8 K2 N14 O2 -","- C6 H8 K2 N14 O2 -","1","0.5","","Yang, Xiaoming; Wang, Yanna; Zhang, Weijing; Yin, Yanli; Li, Zhimin; Zhang, Tonglai","New nitrogen-rich heterocycle compound to build 3D energetic metal complexes","CrystEngComm","2020","","","","","10.1039/D0CE00791A","","","0.71073","MoKα","","0.0419","0.0327","","","0.0672","0.07","","","","","","1","","","","has coordinates","252964","2020-10-21","18:00:00",""
"7240657","3.9924","0.0008","12.192","0.002","7.7023","0.0015","90","","95.44","0.03","90","","373.22","0.12","163","2","163.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C4 H4 K N7 O -","- C4 H4 K N7 O -","- C8 H8 K2 N14 O2 -","2","1","","Yang, Xiaoming; Wang, Yanna; Zhang, Weijing; Yin, Yanli; Li, Zhimin; Zhang, Tonglai","New nitrogen-rich heterocycle compound to build 3D energetic metal complexes","CrystEngComm","2020","","","","","10.1039/D0CE00791A","","","0.71073","MoKα","","0.0281","0.0279","","","0.0736","0.0738","","","","","","1.042","","","","has coordinates","252964","2020-10-21","18:00:00",""
"7240658","8.0784","0.0016","7.1115","0.0014","13.838","0.003","90","","98.05","0.03","90","","787.2","0.3","163","2","163.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H6 N7 Na O2 -","- C4 H6 N7 Na O2 -","- C16 H24 N28 Na4 O8 -","4","1","","Yang, Xiaoming; Wang, Yanna; Zhang, Weijing; Yin, Yanli; Li, Zhimin; Zhang, Tonglai","New nitrogen-rich heterocycle compound to build 3D energetic metal complexes","CrystEngComm","2020","","","","","10.1039/D0CE00791A","","","0.71073","MoKα","","0.0458","0.0433","","","0.1081","0.1105","","","","","","1.106","","","","has coordinates","252964","2020-10-21","18:00:00",""
"7240660","7.5903","0.0004","9.0809","0.0006","9.7444","0.0005","99.238","0.005","107.382","0.005","101.179","0.005","611.46","0.07","298","","298","","","","","","","","","5","P -1","-P 1","2","","CHZ_PA","","- C13 H9 Cl N2 O4 -","- C13 H9 Cl N2 O4 -","- C26 H18 Cl2 N4 O8 -","2","1","","Roy, Parag; Ghosh, Animesh","Mechanochemical cocrystallization to improve the physicochemical properties of chlorzoxazone","CrystEngComm","2020","","","","","10.1039/D0CE00635A","","x-ray","0.71073","MoKα","","0.0417","0.0359","","","0.099","0.1043","","","","","","1.048","","","","has coordinates","253021","2020-10-21","18:00:00",""
"7240661","8.229","0.006","14.862","0.01","13.319","0.01","90","","92.921","0.014","90","","1627","2","100","3","100","3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- H4 K2 O18 S3 U2 -","- H4 K2 O18 S3 U2 -","- H16 K8 O72 S12 U8 -","4","1","","Kornyakov, Ilya V.; Tyumentseva, Olga S.; Gurzhiy, Vladislav V.; Krivovichev, Sergey V.","Dimensional Evolution in Hydrated K±bearing Uranyl Sulfates: From 2D-sheet to 3D-framework","CrystEngComm","2020","","","","","10.1039/D0CE00673D","","","0.71073","MoKα","","0.0354","0.0238","","","0.0431","0.0458","","","","","","0.985","","","","has coordinates","253022","2020-10-21","18:00:00",""
"7240662","11.1337","0.0015","10.0463","0.0013","14.697","0.002","90","","101.28","0.003","90","","1612.1","0.4","296","3","296","3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- H7 K O19 S3 U2 -","- H7 K O19 S3 U2 -","- H28 K4 O76 S12 U8 -","4","1","","Kornyakov, Ilya V.; Tyumentseva, Olga S.; Gurzhiy, Vladislav V.; Krivovichev, Sergey V.","Dimensional Evolution in Hydrated K±bearing Uranyl Sulfates: From 2D-sheet to 3D-framework","CrystEngComm","2020","","","","","10.1039/D0CE00673D","","","0.71073","MoKα","","0.0139","0.0126","","","0.0298","0.0302","","","","","","1.118","","","","has coordinates","253022","2020-10-21","18:00:00",""
"7240663","9.8901","0.0003","16.1105","0.0005","17.2862","0.0005","90","","98.038","0.002","90","","2727.23","0.14","296","3","296","3","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- K3.5 O29 S5 U3 -","- K3.5 O29 S5 U3 -","- K14 O116 S20 U12 -","4","1","","Kornyakov, Ilya V.; Tyumentseva, Olga S.; Gurzhiy, Vladislav V.; Krivovichev, Sergey V.","Dimensional Evolution in Hydrated K±bearing Uranyl Sulfates: From 2D-sheet to 3D-framework","CrystEngComm","2020","","","","","10.1039/D0CE00673D","","","0.71073","MoKα","","0.0626","0.0358","","","0.0724","0.081","","","","","","1.036","","","","has coordinates,has disorder","253022","2020-10-21","18:00:00",""
"7240664","17.3051","0.0002","12.5613","0.0001","17.324","0.0002","90","","96.577","0.001","90","","3741.01","0.07","293","3","293","3","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- K2 O21 S3 U2 -","- K2 O21 S3 U2 -","- K16 O168 S24 U16 -","8","2","","Kornyakov, Ilya V.; Tyumentseva, Olga S.; Gurzhiy, Vladislav V.; Krivovichev, Sergey V.","Dimensional Evolution in Hydrated K±bearing Uranyl Sulfates: From 2D-sheet to 3D-framework","CrystEngComm","2020","","","","","10.1039/D0CE00673D","","x-ray","0.71073","MoKα","","0.0258","0.0212","","","0.0523","0.0543","","","","","","1.034","","","","has coordinates,has disorder","253022","2020-10-21","18:00:00",""
"7240665","11.465","0.007","12.605","0.007","12.944","0.008","90","","90","","90","","1870.6","1.9","296","3","296","3","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- K2 O21 S3 U2 -","- K2 O21 S3 U2 -","- K8 O84 S12 U8 -","4","0.5","","Kornyakov, Ilya V.; Tyumentseva, Olga S.; Gurzhiy, Vladislav V.; Krivovichev, Sergey V.","Dimensional Evolution in Hydrated K±bearing Uranyl Sulfates: From 2D-sheet to 3D-framework","CrystEngComm","2020","","","","","10.1039/D0CE00673D","","","0.71073","MoKα","","0.0452","0.0291","","","0.056","0.0619","","","","","","1.064","","","","has coordinates,has disorder","253022","2020-10-21","18:00:00",""
"7240666","12.774","0.004","11.339","0.003","20.734","0.006","90","","92.088","0.006","90","","3001.2","1.5","296","3","296","3","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- K3 O34 S5 U3 -","- K3 O34 S5 U3 -","- K12 O136 S20 U12 -","4","1","","Kornyakov, Ilya V.; Tyumentseva, Olga S.; Gurzhiy, Vladislav V.; Krivovichev, Sergey V.","Dimensional Evolution in Hydrated K±bearing Uranyl Sulfates: From 2D-sheet to 3D-framework","CrystEngComm","2020","","","","","10.1039/D0CE00673D","","","0.71073","MoKα","","0.0328","0.0252","","","0.053","0.0553","","","","","","1.045","","","","has coordinates","253022","2020-10-21","18:00:00",""
"7240667","14.6085","0.0005","12.275","0.0004","10.4746","0.0004","90","","90","","90","","1878.3","0.11","150","","150","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C19 H28 N6 -","- C19 H28 N6 -","- C76 H112 N24 -","4","1","","Kara Ali, Zeinab; Iankovitch, Anna; Jokar, Mahboubeh; Maris, Thierry; Lebel, Olivier; Pellerin, Christian","Glass engineering of aminotriazine‐based materials with sub‐ambient Tg and high kinetic stability","CrystEngComm","2020","","","","","10.1039/D0CE00500B","","x-ray","1.34139","GaKα","","0.0915","0.0795","","","0.1938","0.2022","","","","","","1.176","","","","has coordinates","253023","2020-10-21","18:00:00",""
"7240668","14.7113","0.0003","10.5414","0.0002","24.3585","0.0006","90","","90","","90","","3777.46","0.14","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H31 N5 O -","- C18 H31 N5 O -","- C144 H248 N40 O8 -","8","1","","Kara Ali, Zeinab; Iankovitch, Anna; Jokar, Mahboubeh; Maris, Thierry; Lebel, Olivier; Pellerin, Christian","Glass engineering of aminotriazine‐based materials with sub‐ambient Tg and high kinetic stability","CrystEngComm","2020","","","","","10.1039/D0CE00500B","","x-ray","1.34139","GaKα","","0.0484","0.047","","","0.1181","0.1199","","","","","","1.095","","","","has coordinates","253023","2020-10-21","18:00:00",""
"7240669","5.7373","0.0003","30.1441","0.0016","6.1322","0.0003","90","","109.223","0.003","90","","1001.41","0.09","150","","150","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C19 H34 N6 -","- C19 H34 N6 -","- C38 H68 N12 -","2","0.5","","Kara Ali, Zeinab; Iankovitch, Anna; Jokar, Mahboubeh; Maris, Thierry; Lebel, Olivier; Pellerin, Christian","Glass engineering of aminotriazine‐based materials with sub‐ambient Tg and high kinetic stability","CrystEngComm","2020","","","","","10.1039/D0CE00500B","","x-ray","1.34139","GaKα","","0.1088","0.0768","","","0.2032","0.2351","","","","","","1.062","","","","has coordinates","253023","2020-10-21","18:00:00",""
"7240670","15.07","0.0003","10.3551","0.0002","24.4042","0.0005","90","","90","","90","","3808.31","0.13","150","","150","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H33 N5 -","- C19 H33 N5 -","- C152 H264 N40 -","8","1","","Kara Ali, Zeinab; Iankovitch, Anna; Jokar, Mahboubeh; Maris, Thierry; Lebel, Olivier; Pellerin, Christian","Glass engineering of aminotriazine‐based materials with sub‐ambient Tg and high kinetic stability","CrystEngComm","2020","","","","","10.1039/D0CE00500B","","x-ray","1.34139","GaKα","","0.0505","0.0451","","","0.1125","0.1173","","","","","","1.065","","","","has coordinates","253023","2020-10-21","18:00:00",""
"7240681","27.761","0.003","15.927","0.002","13.7189","0.0017","90","","116.167","0.002","90","","5444.1","1.1","273","2","273.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H12 Ca0.5 O10 Zn -","- C19 H12 Ca0.5 O10 Zn -","- C152 H96 Ca4 O80 Zn8 -","8","1","","Ji, Wen-Juan; Liu, Gui-Fang; Wang, Binqiang; Lu, Wenbo; Zhai, Quan-Guo","Design of a heterometallic Zn/Ca-MOF decorated by alkoxy on the pore surface exhibiting high fluorescence sensing performance for Fe3+ and Cr2O72−","CrystEngComm","2020","","","","","10.1039/D0CE00457J","","","0.71073","MoKα","","0.0373","0.0342","","","0.1263","0.1292","","","","","","1.205","","","","has coordinates","253118","2020-10-21","18:00:00",""
"7240704","3.95554","0.00005","3.95554","","8.24623","0.00018","90","","90","","90","","129.023","0.003","293","","293","","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- As Co F Sm -","- As Co F Sm -","- As2 Co2 F2 Sm2 -","2","0.125","","Lin, Dan; Luo, Qinxin; Zheng, Hui; Tang, Lulu; Zhan, Wenqi; Tang, Kaibin","A new oxygen-free cobalt-based compound SmCoAsF with multiple magnetic transitions","CrystEngComm","2020","","","","","10.1039/D0CE00448K","powder diffraction","","1.54182","CuKα","","0.0443","0.0253","","","0.0186","0.0298","","","1.26","","","","","","","has coordinates","253139","2020-10-21","18:00:00",""
"7240705","11.369","0.006","13.041","0.007","18.032","0.01","90","","91.795","0.006","90","","2672","2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H30 Cd N4 O4 -","- C33 H30 Cd N4 O4 -","- C132 H120 Cd4 N16 O16 -","4","1","","Shi, Yong-Sheng; Xiao, Qing-Qing; Fu, Lianshe; Cui, Guang Hua","Three water-stable luminescent two-dimensional CdII-based coordination polymers as sensors for highly sensitive and selective detection of Cr2O72- and CrO42‒ anions","CrystEngComm","2020","","","","","10.1039/D0CE00594K","","","0.71073","MoKα","","0.0299","0.0247","","","0.0726","0.0756","","","","","","1.061","","","","has coordinates","253140","2020-10-21","18:00:00",""
"7240706","10.578","0.004","10.841","0.005","11.676","0.005","100.906","0.006","100.575","0.006","91.284","0.006","1290.2","0.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H27 Cd N5 O6 -","- C29 H27 Cd N5 O6 -","- C58 H54 Cd2 N10 O12 -","2","1","","Shi, Yong-Sheng; Xiao, Qing-Qing; Fu, Lianshe; Cui, Guang Hua","Three water-stable luminescent two-dimensional CdII-based coordination polymers as sensors for highly sensitive and selective detection of Cr2O72- and CrO42‒ anions","CrystEngComm","2020","","","","","10.1039/D0CE00594K","","","0.71073","MoKα","","0.1075","0.0751","","","0.1795","0.2042","","","","","","1.012","","","","has coordinates","253140","2020-10-21","18:00:00",""
"7240707","10.349","0.002","11.096","0.002","13.621","0.003","111.687","0.003","92.716","0.003","95.37","0.003","1441.3","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H32.7 Cd N4 O5.35 -","- C30 H30 Cd N4 O4 -","- C60 H60 Cd2 N8 O8 -","2","1","","Shi, Yong-Sheng; Xiao, Qing-Qing; Fu, Lianshe; Cui, Guang Hua","Three water-stable luminescent two-dimensional CdII-based coordination polymers as sensors for highly sensitive and selective detection of Cr2O72- and CrO42‒ anions","CrystEngComm","2020","","","","","10.1039/D0CE00594K","","","0.71073","MoKα","","0.0511","0.0361","","","0.0922","0.1081","","","","","","0.932","","","","has coordinates","253140","2020-10-21","18:00:00",""
"7240712","7.528","0.0015","10.29","0.002","31.911","0.006","90.86","0.03","91.05","0.03","98.76","0.03","2442.3","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H34 Cd N10 O7 -","- C44 H34 Cd N10 O7 -","- C88 H68 Cd2 N20 O14 -","2","1","","wang, junjie; Wu, Fei-Fan; Su, Ning; Li, Pan-Pan; Wang, Si-Yin; Ma, Huiyan; Li, Yun-Wu; Yu, Mei-Hui","Luminescent coordination polymers constructed from mixed-ligand strategy for highly selective luminescence sensing of nitrobenzene, Fe3+ and Cr2O72- ions and photodegradation of rhodamine B","CrystEngComm","2020","","","","","10.1039/D0CE00677G","","","0.71073","MoKα","","0.0502","0.0441","","","0.1309","0.135","","","","","","1.007","","","","has coordinates","253164","2020-10-21","18:00:00",""
"7240713","10.952","0.002","10.209","0.002","19.122","0.006","90","","110.35","0.03","90","","2004.6","0.9","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C46 H28 Cd N10 O8 -","- C46 H28 Cd N10 O8 -","- C92 H56 Cd2 N20 O16 -","2","0.5","","wang, junjie; Wu, Fei-Fan; Su, Ning; Li, Pan-Pan; Wang, Si-Yin; Ma, Huiyan; Li, Yun-Wu; Yu, Mei-Hui","Luminescent coordination polymers constructed from mixed-ligand strategy for highly selective luminescence sensing of nitrobenzene, Fe3+ and Cr2O72- ions and photodegradation of rhodamine B","CrystEngComm","2020","","","","","10.1039/D0CE00677G","","","0.71073","MoKα","","0.0404","0.0348","","","0.1197","0.1244","","","","","","0.979","","","","has coordinates","253164","2020-10-21","18:00:00",""
"7240714","32.636","0.007","10.132","0.002","19.09","0.004","90","","124.35","0.03","90","","5212","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H17 N5 O5 Zn -","- C26 H17 N5 O5 Zn -","- C208 H136 N40 O40 Zn8 -","8","1","","wang, junjie; Wu, Fei-Fan; Su, Ning; Li, Pan-Pan; Wang, Si-Yin; Ma, Huiyan; Li, Yun-Wu; Yu, Mei-Hui","Luminescent coordination polymers constructed from mixed-ligand strategy for highly selective luminescence sensing of nitrobenzene, Fe3+ and Cr2O72- ions and photodegradation of rhodamine B","CrystEngComm","2020","","","","","10.1039/D0CE00677G","","","0.71073","MoKα","","0.053","0.0381","","","0.0931","0.0987","","","","","","0.968","","","","has coordinates","253164","2020-10-21","18:00:00",""
"7240715","23.202","0.005","10.079","0.002","20.756","0.004","90","","107.98","0.03","90","","4616.8","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 Mn N6 O4 -","- C26 H18 Mn N6 O4 -","- C208 H144 Mn8 N48 O32 -","8","1","","wang, junjie; Wu, Fei-Fan; Su, Ning; Li, Pan-Pan; Wang, Si-Yin; Ma, Huiyan; Li, Yun-Wu; Yu, Mei-Hui","Luminescent coordination polymers constructed from mixed-ligand strategy for highly selective luminescence sensing of nitrobenzene, Fe3+ and Cr2O72- ions and photodegradation of rhodamine B","CrystEngComm","2020","","","","","10.1039/D0CE00677G","","","0.71073","MoKα","","0.0587","0.0427","","","0.145","0.1571","","","","","","1.093","","","","has coordinates","253164","2020-10-21","18:00:00",""
"7240716","7.5418","0.0015","10.112","0.002","31.857","0.006","89.12","0.03","89.16","0.03","81.85","0.03","2404.5","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H34 N10 O7 Zn -","- C44 H34 N10 O7 Zn -","- C88 H68 N20 O14 Zn2 -","2","1","","wang, junjie; Wu, Fei-Fan; Su, Ning; Li, Pan-Pan; Wang, Si-Yin; Ma, Huiyan; Li, Yun-Wu; Yu, Mei-Hui","Luminescent coordination polymers constructed from mixed-ligand strategy for highly selective luminescence sensing of nitrobenzene, Fe3+ and Cr2O72- ions and photodegradation of rhodamine B","CrystEngComm","2020","","","","","10.1039/D0CE00677G","","","0.71073","MoKα","","0.1179","0.0663","","","0.1642","0.184","","","","","","0.92","","","","has coordinates","253164","2020-10-21","18:00:00",""
"7240717","10.441","0.002","9.816","0.002","20.601","0.004","90","","93.04","0.03","90","","2108.4","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H14 N5 O4 Zn -","- C23 H14 N5 O4 Zn -","- C92 H56 N20 O16 Zn4 -","4","1","","wang, junjie; Wu, Fei-Fan; Su, Ning; Li, Pan-Pan; Wang, Si-Yin; Ma, Huiyan; Li, Yun-Wu; Yu, Mei-Hui","Luminescent coordination polymers constructed from mixed-ligand strategy for highly selective luminescence sensing of nitrobenzene, Fe3+ and Cr2O72- ions and photodegradation of rhodamine B","CrystEngComm","2020","","","","","10.1039/D0CE00677G","","","0.71073","MoKα","","0.0316","0.027","","","0.0728","0.0746","","","","","","0.963","","","","has coordinates","253164","2020-10-21","18:00:00",""
"7240718","8.7507","0.0018","9.6193","0.0019","29.783","0.006","83.82","0.03","87.73","0.03","86.26","0.03","2485.8","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H32 Cu N10 O9 -","- C46 H32 Cu N10 O9 -","- C92 H64 Cu2 N20 O18 -","2","1","","wang, junjie; Wu, Fei-Fan; Su, Ning; Li, Pan-Pan; Wang, Si-Yin; Ma, Huiyan; Li, Yun-Wu; Yu, Mei-Hui","Luminescent coordination polymers constructed from mixed-ligand strategy for highly selective luminescence sensing of nitrobenzene, Fe3+ and Cr2O72- ions and photodegradation of rhodamine B","CrystEngComm","2020","","","","","10.1039/D0CE00677G","","","0.71073","MoKα","","0.1135","0.0598","","","0.1433","0.1612","","","","","","0.89","","","","has coordinates","253164","2020-10-21","18:00:00",""
"7240719","23.049","0.005","10.196","0.002","21.45","0.004","90","","107.36","0.03","90","","4811.3","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H16 Cd N6 O6 -","- C26 H16 Cd N6 O6 -","- C208 H128 Cd8 N48 O48 -","8","1","","wang, junjie; Wu, Fei-Fan; Su, Ning; Li, Pan-Pan; Wang, Si-Yin; Ma, Huiyan; Li, Yun-Wu; Yu, Mei-Hui","Luminescent coordination polymers constructed from mixed-ligand strategy for highly selective luminescence sensing of nitrobenzene, Fe3+ and Cr2O72- ions and photodegradation of rhodamine B","CrystEngComm","2020","","","","","10.1039/D0CE00677G","","","0.71073","MoKα","","0.0443","0.0349","","","0.1023","0.1135","","","","","","0.965","","","","has coordinates","253164","2020-10-21","18:00:00",""
"7240720","23.214","0.005","10.138","0.002","20.831","0.004","90","","108.02","0.03","90","","4662","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H17 Cd N5 O5 -","- C26 H17 Cd N5 O5 -","- C208 H136 Cd8 N40 O40 -","8","1","","wang, junjie; Wu, Fei-Fan; Su, Ning; Li, Pan-Pan; Wang, Si-Yin; Ma, Huiyan; Li, Yun-Wu; Yu, Mei-Hui","Luminescent coordination polymers constructed from mixed-ligand strategy for highly selective luminescence sensing of nitrobenzene, Fe3+ and Cr2O72- ions and photodegradation of rhodamine B","CrystEngComm","2020","","","","","10.1039/D0CE00677G","","","0.71073","MoKα","","0.044","0.0354","","","0.129","0.1378","","","","","","1.055","","","","has coordinates","253164","2020-10-21","18:00:00",""
"7240721","23.391","0.005","10.103","0.002","20.736","0.004","90","","107.76","0.03","90","","4666.8","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 Cd N6 O4 -","- C26 H18 Cd N6 O4 -","- C208 H144 Cd8 N48 O32 -","8","1","","wang, junjie; Wu, Fei-Fan; Su, Ning; Li, Pan-Pan; Wang, Si-Yin; Ma, Huiyan; Li, Yun-Wu; Yu, Mei-Hui","Luminescent coordination polymers constructed from mixed-ligand strategy for highly selective luminescence sensing of nitrobenzene, Fe3+ and Cr2O72- ions and photodegradation of rhodamine B","CrystEngComm","2020","","","","","10.1039/D0CE00677G","","","0.71073","MoKα","","0.0552","0.0435","","","0.1172","0.1232","","","","","","1.03","","","","has coordinates","253164","2020-10-21","18:00:00",""
"7240722","5.3386","0.0001","9.9878","0.0002","22.3493","0.0004","90","","90","","90","","1191.68","0.04","15","2","15","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","8-hydroxyquinolinium hydrogen maleate","","","- C13 H11 N O5 -","- C13 H11 N O5 -","- C52 H44 N4 O20 -","4","1","","Malaspina, Lorraine Andrade; Hoser, Anna A.; Edwards, Alison; Woinska, Magdalena; Turner, Michael J.; Price, Jason R.; Sugimoto, Kunihisa; Nishibori, Eiji; Burgi, Hans-Beat; Jayatilaka, Dylan; Grabowsky, Simon","Hydrogen atoms in bridging positions from quantum crystallographic refinements: Influence of hydrogen atom displacement parameters on geometry and electron density","CrystEngComm","2020","","","","","10.1039/D0CE00378F","","x-ray","0.35307","synchrotron","","0.0334","0.0334","","0.0207","0.0207","","","","1.6975","1.6975","1.6975","","","","","has coordinates,has disorder","253165","2020-10-21","18:00:00",""
"7240723","4.5076","0.0001","7.7027","0.0001","15.9229","0.0003","90","","90","","90","","552.854","0.018","15","2","15","2","","","","","","","","4","P b c m","-P 2c 2b","57","Potassium hydrogen maleate","","","- C4 H3 K O4 -","- C4 H3 K O4 -","- C16 H12 K4 O16 -","4","0.5","","Malaspina, Lorraine Andrade; Hoser, Anna A.; Edwards, Alison; Woinska, Magdalena; Turner, Michael J.; Price, Jason R.; Sugimoto, Kunihisa; Nishibori, Eiji; Burgi, Hans-Beat; Jayatilaka, Dylan; Grabowsky, Simon","Hydrogen atoms in bridging positions from quantum crystallographic refinements: Influence of hydrogen atom displacement parameters on geometry and electron density","CrystEngComm","2020","","","","","10.1039/D0CE00378F","","x-ray","0.3531","synchrotron","","0.0212","0.0212","","0.0213","0.0213","","","","2.9351","2.9351","2.9351","","","","","has coordinates,has disorder","253165","2020-10-21","18:00:00",""
"7240724","5.8331","0.0001","5.9439","0.0001","18.792","0.0004","90","","91.305","0.001","90","","651.38","0.02","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Lithium hydrogen maleate dihydrate","","","- C4 H7 Li O6 -","- C4 H7 Li O6 -","- C16 H28 Li4 O24 -","4","1","","Malaspina, Lorraine Andrade; Hoser, Anna A.; Edwards, Alison; Woinska, Magdalena; Turner, Michael J.; Price, Jason R.; Sugimoto, Kunihisa; Nishibori, Eiji; Burgi, Hans-Beat; Jayatilaka, Dylan; Grabowsky, Simon","Hydrogen atoms in bridging positions from quantum crystallographic refinements: Influence of hydrogen atom displacement parameters on geometry and electron density","CrystEngComm","2020","","","","","10.1039/D0CE00378F","","x-ray","0.71073","MoKα","","0.0195","0.0195","","0.016","0.016","","","","2.4666","2.4666","2.4666","","","","","has coordinates,has disorder","253165","2020-10-21","18:00:00",""
"7240725","5.9224","0.0004","6.2512","0.0003","11.2141","0.0007","103.935","0.007","91.49","0.006","99.823","0.007","396.07","0.04","15","2","15","2","","","","","","","","4","P -1","-P 1","2","Sodium hydrogen maleate trihydrate","","","- C4 H9 Na O7 -","- C4 H9 Na O7 -","- C8 H18 Na2 O14 -","2","1","","Malaspina, Lorraine Andrade; Hoser, Anna A.; Edwards, Alison; Woinska, Magdalena; Turner, Michael J.; Price, Jason R.; Sugimoto, Kunihisa; Nishibori, Eiji; Burgi, Hans-Beat; Jayatilaka, Dylan; Grabowsky, Simon","Hydrogen atoms in bridging positions from quantum crystallographic refinements: Influence of hydrogen atom displacement parameters on geometry and electron density","CrystEngComm","2020","","","","","10.1039/D0CE00378F","","x-ray","0.3531","synchrotron","","0.0185","0.0185","","0.0194","0.0194","","","","3.8153","3.8153","3.8153","","","","","has coordinates,has disorder","253165","2020-10-21","18:00:00",""
"7240726","7.8528","0.0001","5.5451","0.0001","10.9223","0.0002","90","","96.394","0.007","90","","472.648","0.015","16.5","1","16.5","1","","","","","","","","4","P 1 21 1","P 2yb","4","4-aminopyridinium hydrogen maleate","","","- C9 H10 N2 O4 -","- C9 H10 N2 O4 -","- C18 H20 N4 O8 -","2","1","","Malaspina, Lorraine Andrade; Hoser, Anna A.; Edwards, Alison; Woinska, Magdalena; Turner, Michael J.; Price, Jason R.; Sugimoto, Kunihisa; Nishibori, Eiji; Burgi, Hans-Beat; Jayatilaka, Dylan; Grabowsky, Simon","Hydrogen atoms in bridging positions from quantum crystallographic refinements: Influence of hydrogen atom displacement parameters on geometry and electron density","CrystEngComm","2020","","","","","10.1039/D0CE00378F","","x-ray","0.3532","synchrotron","","0.0195","0.0195","","0.0171","0.0171","","","","2.5401","2.5401","2.5401","","","","","has coordinates,has disorder","253165","2020-10-21","18:00:00",""
"7240727","10.905","0.002","5.2338","0.001","11.439","0.002","90","","101.36","0.03","90","","640.1","0.2","25","","25","","","","","","","","","4","P 1 21 1","P 2yb","4","L-phenylalaninium hydrogen maleate","","","- C13 H15 N O6 -","- C13 H15 N O6 -","- C26 H30 N2 O12 -","2","1","","Malaspina, Lorraine Andrade; Hoser, Anna A.; Edwards, Alison; Woinska, Magdalena; Turner, Michael J.; Price, Jason R.; Sugimoto, Kunihisa; Nishibori, Eiji; Burgi, Hans-Beat; Jayatilaka, Dylan; Grabowsky, Simon","Hydrogen atoms in bridging positions from quantum crystallographic refinements: Influence of hydrogen atom displacement parameters on geometry and electron density","CrystEngComm","2020","","","","","10.1039/D0CE00378F","","x-ray","0.354","synchrotron","","0.0204","0.0204","","0.0213","0.0213","","","","0.8688","0.8688","0.8688","","","","","has coordinates,has disorder","253165","2020-10-21","18:00:00",""
"7240728","10.195","0.002","11.759","0.002","6.6206","0.0013","90","","103.67","0.03","90","","771.2","0.3","14.9","0.2","14.9","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Magnesium bis(hydrogen maleate) hexahydrate","","","- C8 H18 Mg O14 -","- C8 H18 Mg O14 -","- C16 H36 Mg2 O28 -","2","0.5","","Malaspina, Lorraine Andrade; Hoser, Anna A.; Edwards, Alison; Woinska, Magdalena; Turner, Michael J.; Price, Jason R.; Sugimoto, Kunihisa; Nishibori, Eiji; Burgi, Hans-Beat; Jayatilaka, Dylan; Grabowsky, Simon","Hydrogen atoms in bridging positions from quantum crystallographic refinements: Influence of hydrogen atom displacement parameters on geometry and electron density","CrystEngComm","2020","","","","","10.1039/D0CE00378F","","x-ray","0.3532","synchrotron","","0.0159","0.0159","","0.0168","0.0168","","","","3.0663","3.0663","3.0663","","","","","has coordinates,has disorder","253165","2020-10-21","18:00:00",""
"7240729","9.9819","0.0006","7.1284","0.0004","11.8414","0.0007","90","","114.07","0.002","90","","769.31","0.08","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","hexamine picric acid salt","","","- C12 H15 N7 O7 -","- C12 H15 N7 O7 -","- C24 H30 N14 O14 -","2","1","","Mathpati, Ramling S.; Dharavath, Srinivas; Kumar, Nikhil; Ghule, Vikas; Paul, Avijit Kumar; TITTAL, RAM KUMAR","Design, synthesis and investigations of a series of energetic salts through the variation of amines and concentration of picrate-anion","CrystEngComm","2020","","","","","10.1039/D0CE00772B","","","0.71073","MoKα","","0.0637","0.0522","","","0.1176","0.1263","","","","","","1.147","","","","has coordinates","253166","2020-10-21","18:00:00",""
"7240730","12.462","0.002","6.7318","0.0011","18.747","0.003","90","","107.065","0.005","90","","1503.5","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","hexamine picric acid salt","","","- C12 H15 N7 O7 -","- C12 H15 N7 O7 -","- C48 H60 N28 O28 -","4","1","","Mathpati, Ramling S.; Dharavath, Srinivas; Kumar, Nikhil; Ghule, Vikas; Paul, Avijit Kumar; TITTAL, RAM KUMAR","Design, synthesis and investigations of a series of energetic salts through the variation of amines and concentration of picrate-anion","CrystEngComm","2020","","","","","10.1039/D0CE00772B","","","0.71073","MoKα","","0.0979","0.0519","","","0.133","0.1764","","","","","","1.101","","","","has coordinates","253166","2020-10-21","18:00:00",""
"7240731","21.997","0.008","6.972","0.002","20.77","0.007","90","","90","","90","","3185.4","1.8","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","triethylamine picric acid salt","","","- C24 H36 N8 O14 -","- C24 H36 N8 O14 -","- C96 H144 N32 O56 -","4","1","","Mathpati, Ramling S.; Dharavath, Srinivas; Kumar, Nikhil; Ghule, Vikas; Paul, Avijit Kumar; TITTAL, RAM KUMAR","Design, synthesis and investigations of a series of energetic salts through the variation of amines and concentration of picrate-anion","CrystEngComm","2020","","","","","10.1039/D0CE00772B","","","0.71073","MoKα","","0.1399","0.077","","","0.1751","0.2159","","","","","","1.004","","","","has coordinates","253166","2020-10-21","18:00:00",""
"7240732","6.9949","0.0009","12.5916","0.0019","19.969","0.003","90","","90","","90","","1758.8","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","triamine picric acid salt, 1:1","","","- C12 H21 N7 O7 -","- C12 H21 N7 O7 -","- C48 H84 N28 O28 -","4","1","","Mathpati, Ramling S.; Dharavath, Srinivas; Kumar, Nikhil; Ghule, Vikas; Paul, Avijit Kumar; TITTAL, RAM KUMAR","Design, synthesis and investigations of a series of energetic salts through the variation of amines and concentration of picrate-anion","CrystEngComm","2020","","","","","10.1039/D0CE00772B","","","0.71073","MoKα","","0.1804","0.0686","","","0.1592","0.1967","","","","","","0.893","","","","has coordinates","253166","2020-10-21","18:00:00",""
"7240733","8.4362","0.0009","12.5183","0.0014","18.3788","0.0019","72.109","0.003","83.298","0.003","72.28","0.003","1758.9","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","triamine picric acid salt, 1:3","","","- C25 H31 N13 O22 -","- C25 H31 N13 O22 -","- C50 H62 N26 O44 -","2","1","","Mathpati, Ramling S.; Dharavath, Srinivas; Kumar, Nikhil; Ghule, Vikas; Paul, Avijit Kumar; TITTAL, RAM KUMAR","Design, synthesis and investigations of a series of energetic salts through the variation of amines and concentration of picrate-anion","CrystEngComm","2020","","","","","10.1039/D0CE00772B","","","0.71073","MoKα","","0.0888","0.0592","","","0.1603","0.1774","","","","","","1.101","","","","has coordinates","253166","2020-10-21","18:00:00",""
"7240734","14.1276","0.0006","10.6978","0.0005","24.1392","0.0011","90","","106.656","0.001","90","","3495.2","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","triamine picric acid salt, 1:3","","","- C24 H31 N13 O23 -","- C24 H31 N13 O23 -","- C96 H124 N52 O92 -","4","1","","Mathpati, Ramling S.; Dharavath, Srinivas; Kumar, Nikhil; Ghule, Vikas; Paul, Avijit Kumar; TITTAL, RAM KUMAR","Design, synthesis and investigations of a series of energetic salts through the variation of amines and concentration of picrate-anion","CrystEngComm","2020","","","","","10.1039/D0CE00772B","","","0.71073","MoKα","","0.0685","0.0495","","","0.1475","0.1682","","","","","","1.124","","","","has coordinates","253166","2020-10-21","18:00:00",""
"7240735","10.21","0.002","12.081","0.002","13.653","0.003","109.44","0.03","100.57","0.03","90.58","0.03","1556.5","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1-(2-Anisole)-3-(phenyl)-1,4-dihydro-1,2,4-benzotriazin-4-yl","","- C20 H16 N3 O -","- C20 H16 N3 O -","- C80 H64 N12 O4 -","4","2","","Bazzi, Fadwat; Danke, Alexander J.; Lawson, Daniel B.; Manoli, Maria; Leitus, Gregory; Koutentis, Panayiotis Andreas; Constantinides, Christos P.","1-(2-Methoxyphenyl)-3-(phenyl)-1,4-dihydro-1,2,4-benzotriazin-4-yl: A Tricky “Structure-to-Magnetism” Correlation Aided by DFT Calculations","CrystEngComm","2020","","","","","10.1039/D0CE00669F","","","0.71073","MoKα","","0.0663","0.0571","","","0.1474","0.1533","","","","","","1.069","","","","has coordinates","253190","2020-10-21","18:00:00",""
"7240761","6.4218","0.0006","14.8289","0.0014","20.2173","0.0019","90","","96.132","0.002","90","","1914.2","0.3","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","'4,4-isopropylidene bisphenol-3,4-xylenol'","","- C23 H26 O3 -","- C23 H26 O3 -","- C92 H104 O12 -","4","1","","Bouanga Boudiombo, Jacky S.; Su, Hong; Ravenscroft, N.; Bourne, Susan A.; Nassimbeni, Luigi","Invitation to Submit: The Cambridge Structural Database Selective enclathration of xylenols: synergistic effects of mixed hosts","CrystEngComm","2020","","","","","10.1039/D0CE00510J","","","0.71073","MoKα","","0.0753","0.0486","","","0.1095","0.1226","","","","","","1.023","","","","has coordinates","253345","2020-10-21","18:00:00",""
"7240762","6.3007","0.0003","20.7627","0.0011","29.9858","0.0014","90","","95.787","0.002","90","","3902.7","0.3","173","2","173","2","","","","","","","","3","P 1 n 1","P -2yac","7","","'4,4-isopropylidene bisphenol-2,3-xylenol-3,5-xylenol'","","- C92 H104 O12 -","- C92 H104 O12 -","- C184 H208 O24 -","2","1","","Bouanga Boudiombo, Jacky S.; Su, Hong; Ravenscroft, N.; Bourne, Susan A.; Nassimbeni, Luigi","Invitation to Submit: The Cambridge Structural Database Selective enclathration of xylenols: synergistic effects of mixed hosts","CrystEngComm","2020","","","","","10.1039/D0CE00510J","","","0.71073","MoKα","","0.044","0.0412","","","0.1009","0.1025","","","","","","1.048","","","","has coordinates","253345","2020-10-21","18:00:00",""
"7240763","30.65","0.002","6.3048","0.0005","39.852","0.003","90","","91.359","0.002","90","","7698.9","1","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","'4,4-isopropylidene bisphenol-2,3-xylenol-2,6-xylenol'","","- C46 H52 O6 -","- C46 H52 O6 -","- C368 H416 O48 -","8","1","","Bouanga Boudiombo, Jacky S.; Su, Hong; Ravenscroft, N.; Bourne, Susan A.; Nassimbeni, Luigi","Invitation to Submit: The Cambridge Structural Database Selective enclathration of xylenols: synergistic effects of mixed hosts","CrystEngComm","2020","","","","","10.1039/D0CE00510J","","","0.71073","MoKα","","0.0417","0.0387","","","0.0996","0.1021","","","","","","1.036","","","","has coordinates,has disorder","253345","2020-10-21","18:00:00",""
"7240764","21.058","0.0009","15.538","0.0006","21.249","0.001","90","","98.481","0.001","90","","6876.6","0.5","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","'4,4-isopropylidene bisphenol-4,4'-(9-fluorenylidene) bisphenol-2,6-xylenol-3,5-xylenol'","","- C88 H78 O9 -","- C88 H78 O9 -","- C352 H312 O36 -","4","1","","Bouanga Boudiombo, Jacky S.; Su, Hong; Ravenscroft, N.; Bourne, Susan A.; Nassimbeni, Luigi","Invitation to Submit: The Cambridge Structural Database Selective enclathration of xylenols: synergistic effects of mixed hosts","CrystEngComm","2020","","","","","10.1039/D0CE00510J","","","0.71073","MoKα","","0.0894","0.05","","","0.111","0.13","","","","","","1.019","","","","has coordinates,has disorder","253345","2020-10-21","18:00:00",""
"7240765","10.8245","0.0004","12.1894","0.0003","13.0365","0.0004","81.94","0.002","69.924","0.003","84.811","0.002","1597.96","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H45 La N2 O8 -","- C29 H45 La N2 O8 -","- C58 H90 La2 N4 O16 -","2","1","","Kharitonov, Alexandr; Trofimova, Olesya Yur'evna; Meshcheryakova, Irina N.; Fukin, Georgii K.; Khrizanforov, Mikhail; Budnikova, Yulia H.; Bogomyakov, Artem Stepanovich; Aysin, Rinat R.; Kovalenko, Konstantin A.; Piskunov, Alexandr Vladimirovich","2D-Metal-organic coordination polymers of lanthanides (La(III), Pr(III) and Nd(III)) with redox-active dioxolene bridging ligand","CrystEngComm","2020","","","","","10.1039/D0CE00767F","","","0.71073","MoKα","","0.0329","0.0262","","","0.0601","0.0623","","","","","","1.038","","","","has coordinates,has disorder","253346","2020-10-21","18:00:00",""
"7240766","10.8521","0.0003","12.2651","0.0004","13.0496","0.0004","79.711","0.003","69.4","0.003","84.672","0.003","1598.87","0.09","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H90 N4 Nd2 O16 -","- C58 H90 N4 Nd2 O16 -","- C58 H90 N4 Nd2 O16 -","1","0.5","","Kharitonov, Alexandr; Trofimova, Olesya Yur'evna; Meshcheryakova, Irina N.; Fukin, Georgii K.; Khrizanforov, Mikhail; Budnikova, Yulia H.; Bogomyakov, Artem Stepanovich; Aysin, Rinat R.; Kovalenko, Konstantin A.; Piskunov, Alexandr Vladimirovich","2D-Metal-organic coordination polymers of lanthanides (La(III), Pr(III) and Nd(III)) with redox-active dioxolene bridging ligand","CrystEngComm","2020","","","","","10.1039/D0CE00767F","","","0.71073","MoKα","","0.0467","0.0343","","","0.0611","0.0634","","","","","","0.999","","","","has coordinates,has disorder","253346","2020-10-21","18:00:00",""
"7240767","10.8462","0.0004","12.2567","0.0004","13.0356","0.0004","80.342","0.003","69.642","0.003","84.833","0.003","1600.72","0.1","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H45 N2 O8 Pr -","- C29 H45 N2 O8 Pr -","- C58 H90 N4 O16 Pr2 -","2","1","","Kharitonov, Alexandr; Trofimova, Olesya Yur'evna; Meshcheryakova, Irina N.; Fukin, Georgii K.; Khrizanforov, Mikhail; Budnikova, Yulia H.; Bogomyakov, Artem Stepanovich; Aysin, Rinat R.; Kovalenko, Konstantin A.; Piskunov, Alexandr Vladimirovich","2D-Metal-organic coordination polymers of lanthanides (La(III), Pr(III) and Nd(III)) with redox-active dioxolene bridging ligand","CrystEngComm","2020","","","","","10.1039/D0CE00767F","","","0.71073","MoKα","","0.0312","0.0237","","","0.0469","0.0484","","","","","","1.046","","","","has coordinates,has disorder","253346","2020-10-21","18:00:00",""
"7240769","12.4441","0.0002","12.4441","0.0002","19.0521","0.0005","90","","90","","90","","2950.32","0.1","296","","296","","","","","","","","","5","I 4/m","-I 4","87","","","","- C21 H15 Er8 Na4 O50 -","- C20.25 H14 Er8 Na4 O49 -","- C40.5 H28 Er16 Na8 O98 -","2","0.125","","Ponjan, Nutcha; Kielar, Filip; Dungkaew, Winya; Kongpatpanich, Kanokwan; Zenno, Hikaru; Hayami, Shinya; Sukwattanasinitt, Mongkol; Chainok, Kittipong","Self-assembly of three-dimensional oxalate-bridged alkali(I)-lanthanide(III) heterometal-organic frameworks","CrystEngComm","2020","","","","","10.1039/D0CE00099J","","x-ray","0.71073","MoKα","K-L~3~","0.0225","0.0199","","","0.0417","0.0425","","","","","","1.095","","","","has coordinates,has disorder","253389","2020-10-21","18:00:00",""
"7240770","12.5792","0.0004","12.5792","0.0004","19.2471","0.0008","90","","90","","90","","3045.59","0.19","296","","296","","","","","","","","","5","I 4/m","-I 4","87","","","","- C10.25 H4 Na2 O27.5 Tb4 -","- C10.25 H4 Na2 O27.5 Tb4 -","- C41 H16 Na8 O110 Tb16 -","4","0.25","","Ponjan, Nutcha; Kielar, Filip; Dungkaew, Winya; Kongpatpanich, Kanokwan; Zenno, Hikaru; Hayami, Shinya; Sukwattanasinitt, Mongkol; Chainok, Kittipong","Self-assembly of three-dimensional oxalate-bridged alkali(I)-lanthanide(III) heterometal-organic frameworks","CrystEngComm","2020","","","","","10.1039/D0CE00099J","","x-ray","0.71073","MoKα","K-L~3~","0.0524","0.0439","","","0.1022","0.105","","","","","","1.255","","","","has coordinates,has disorder","253389","2020-10-21","18:00:00",""
"7240771","12.5277","0.0003","12.5277","0.0003","19.1754","0.0008","90","","90","","90","","3009.45","0.16","296","","296","","","","","","","","","5","I 4/m","-I 4","87","","","","- C10.25 H4 Dy4 Na2 O27.5 -","- C10.25 H4 Dy4 Na2 O27.5 -","- C41 H16 Dy16 Na8 O110 -","4","0.25","","Ponjan, Nutcha; Kielar, Filip; Dungkaew, Winya; Kongpatpanich, Kanokwan; Zenno, Hikaru; Hayami, Shinya; Sukwattanasinitt, Mongkol; Chainok, Kittipong","Self-assembly of three-dimensional oxalate-bridged alkali(I)-lanthanide(III) heterometal-organic frameworks","CrystEngComm","2020","","","","","10.1039/D0CE00099J","","x-ray","0.71073","MoKα","K-L~3~","0.039","0.0309","","","0.0789","0.0824","","","","","","1.104","","","","has coordinates,has disorder","253389","2020-10-21","18:00:00",""
"7240777","12.7076","0.0004","26.0229","0.0009","11.0787","0.0004","90","","100.187","0.002","90","","3605.8","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 O9 U -","- C16 H16 O9 U -","- C128 H128 O72 U8 -","8","2","","Andreev, Grigory; Budantseva, Nina; Levtsova, Anastasiya","Variability of structural motifs in the crystal structure of U(VI) complexes with p-methoxybenzoic acid","CrystEngComm","2020","","","","","10.1039/D0CE00681E","","","0.71073","MoKα","","0.0776","0.0412","","","0.0681","0.0774","","","","","","1.013","","","","has coordinates","253431","2020-10-21","18:00:00",""
"7240778","9.4519","0.0004","28.081","0.0011","13.1169","0.0005","90","","103.668","0.003","90","","3382.9","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H38 N2 O12 U -","- C32 H38 N2 O12 U -","- C128 H152 N8 O48 U4 -","4","1","","Andreev, Grigory; Budantseva, Nina; Levtsova, Anastasiya","Variability of structural motifs in the crystal structure of U(VI) complexes with p-methoxybenzoic acid","CrystEngComm","2020","","","","","10.1039/D0CE00681E","","","0.71073","MoKα","","0.0714","0.0447","","","0.1062","0.1172","","","","","","1.024","","","","has coordinates","253431","2020-10-21","18:00:00",""
"7240779","9.6028","0.0002","12.4495","0.0003","20.1988","0.0005","79.199","0.001","83.798","0.001","84.017","0.001","2349.37","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C90 H88 N4 O40 U4 -","- C90 H88 N4 O40 U4 -","- C90 H88 N4 O40 U4 -","1","0.5","","Andreev, Grigory; Budantseva, Nina; Levtsova, Anastasiya","Variability of structural motifs in the crystal structure of U(VI) complexes with p-methoxybenzoic acid","CrystEngComm","2020","","","","","10.1039/D0CE00681E","","","0.71073","MoKα","","0.0555","0.0329","","","0.0613","0.067","","","","","","1.009","","","","has coordinates,has disorder","253431","2020-10-21","18:00:00",""
"7240780","17.282","0.01","7.629","0.004","41.71","0.02","90","","98.812","0.017","90","","5434","5","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Pterostilbene","","- C16 H16 O3 -","- C16 H16 O3 -","- C256 H256 O48 -","16","2","","Prohens, Rafel; Barbas, Rafael; Bofill, Lidia; de Sande, Dafne; Frontera, Antonio","A Late Appearing Polymorph of Nutraceutical Pterostilbene","CrystEngComm","2020","","","","","10.1039/D0CE00837K","","","0.71073","MoKα","","0.0746","0.0489","","","0.1029","0.1173","","","","","","1.063","","","","has coordinates","253464","2020-10-21","18:00:00",""
"7240786","10.303","0.0003","19.0612","0.0005","11.2798","0.0003","90","","98.019","0.002","90","","2193.55","0.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","m-fluorobenzoate-tin-porphrin","","","- C54 H32 F2 N8 O4 Sn -","- C54 H32 F2 N8 O4 Sn -","- C108 H64 F4 N16 O8 Sn2 -","2","0.5","","Rani, Jyoti; Arora, Ashim; Ahmed, J. Irshad; Adhikari, Debashis; Natarajan, Palani; Venugopalan, P.; Patra, Ranjan","Nature of Fluorine Interactions in ‘Wheel and Axle’ Topology Based Hexa-Coordinated Sn(IV)-Porphyrins: An Experimental and Theoretical Analysis","CrystEngComm","2020","","","","","10.1039/D0CE00333F","","","0.71073","MoKα","","0.0473","0.0353","","","0.0999","0.1058","","","","","","1.054","","","","has coordinates","253505","2020-10-21","18:00:00",""
"7240787","10.2892","0.0002","18.7516","0.0003","11.5557","0.0002","90","","99.881","0.002","90","","2196.47","0.07","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","p-fluorobenzoate-tin-porphrin","","","- C54 H32 F2 N8 O4 Sn -","- C54 H32 F2 N8 O4 Sn -","- C108 H64 F4 N16 O8 Sn2 -","2","0.5","","Rani, Jyoti; Arora, Ashim; Ahmed, J. Irshad; Adhikari, Debashis; Natarajan, Palani; Venugopalan, P.; Patra, Ranjan","Nature of Fluorine Interactions in ‘Wheel and Axle’ Topology Based Hexa-Coordinated Sn(IV)-Porphyrins: An Experimental and Theoretical Analysis","CrystEngComm","2020","","","","","10.1039/D0CE00333F","","","0.71073","MoKα","","0.0463","0.0393","","","0.121","0.1258","","","","","","1.051","","","","has coordinates","253505","2020-10-21","18:00:00",""
"7240788","8.7422","0.0003","12.136","0.0007","12.4046","0.0005","60.769","0.005","89.027","0.003","86.065","0.004","1145.57","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Penta-fluorobenzoate-tin-porphrin","","","- C54 H24 F10 N8 O4 Sn -","- C54 H24 F10 N8 O4 Sn -","- C54 H24 F10 N8 O4 Sn -","1","0.5","","Rani, Jyoti; Arora, Ashim; Ahmed, J. Irshad; Adhikari, Debashis; Natarajan, Palani; Venugopalan, P.; Patra, Ranjan","Nature of Fluorine Interactions in ‘Wheel and Axle’ Topology Based Hexa-Coordinated Sn(IV)-Porphyrins: An Experimental and Theoretical Analysis","CrystEngComm","2020","","","","","10.1039/D0CE00333F","","","0.71073","MoKα","","0.0441","0.0428","","","0.1104","0.1116","","","","","","1.059","","","","has coordinates","253505","2020-10-21","18:00:00",""
"7240789","20.36","0.007","20.36","0.007","25.461","0.011","90","","90","","120","","9140","6","93","2","93","2","","","","","","","","5","P 63/m","-P 6c","176","","","","- C162 H288 Cl18 N12 O78 -","- C240 H276 N12 O60 -","- C240 H276 N12 O60 -","1","0.0833333","","Shimoyama, Daisuke; Sekiya, Ryo; Maekawa, Hiroyuki; Kudo, Hiroto; HAINO, Takeharu","One-dimensional arrangement of NORIA in the solid-state","CrystEngComm","2020","","","","","10.1039/D0CE00650E","","","0.71073","MoKα","","0.2802","0.1895","","","0.5185","0.5845","","","","","","1.997","","","","has coordinates","253506","2020-10-21","18:00:00",""
"7240790","14.996","0.005","15.49","0.005","19.749","0.006","69.675","0.004","70.062","0.004","82.109","0.004","4043","2","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C162 H224 Cl6 N10 O38 -","- C120 H138 N6 O30 -","- C120 H138 N6 O30 -","1","0.5","","Shimoyama, Daisuke; Sekiya, Ryo; Maekawa, Hiroyuki; Kudo, Hiroto; HAINO, Takeharu","One-dimensional arrangement of NORIA in the solid-state","CrystEngComm","2020","","","","","10.1039/D0CE00650E","","","0.71073","MoKα","","0.1666","0.1181","","","0.348","0.3865","","","","","","1.053","","","","has coordinates","253506","2020-10-21","18:00:00",""
"7240791","15.062","0.003","15.485","0.003","19.841","0.004","69.18","0.002","69.948","0.002","81.943","0.002","4062.4","1.4","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C158 H224 Cl6 N10 O38 -","- C120 H138 N6 O30 -","- C120 H138 N6 O30 -","1","0.5","","Shimoyama, Daisuke; Sekiya, Ryo; Maekawa, Hiroyuki; Kudo, Hiroto; HAINO, Takeharu","One-dimensional arrangement of NORIA in the solid-state","CrystEngComm","2020","","","","","10.1039/D0CE00650E","","","0.71073","MoKα","","0.2152","0.1462","","","0.4338","0.4689","","","","","","1.527","","","","has coordinates","253506","2020-10-21","18:00:00",""
"7240792","20.144","0.005","20.144","0.005","25.29","0.007","90","","90","","120","","8887","4","93","2","93","2","","","","","","","","5","P 63/m","-P 6c","176","","","","- C165 H234 Cl18 N12 O48 -","- C282 H324 N12 O60 -","- C282 H324 N12 O60 -","1","0.0833333","","Shimoyama, Daisuke; Sekiya, Ryo; Maekawa, Hiroyuki; Kudo, Hiroto; HAINO, Takeharu","One-dimensional arrangement of NORIA in the solid-state","CrystEngComm","2020","","","","","10.1039/D0CE00650E","","","0.71073","MoKα","","0.2126","0.1692","","","0.5562","0.6065","","","","","","2.862","","","","has coordinates,has disorder","253506","2020-10-21","18:00:00",""
"7240793","15.207","0.009","15.514","0.009","19.951","0.012","69.268","0.007","69.788","0.008","81.759","0.008","4130","4","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C164 H244 Cl6 N10 O36 -","- C114 H124 N4 O28 -","- C114 H124 N4 O28 -","1","0.5","","Shimoyama, Daisuke; Sekiya, Ryo; Maekawa, Hiroyuki; Kudo, Hiroto; HAINO, Takeharu","One-dimensional arrangement of NORIA in the solid-state","CrystEngComm","2020","","","","","10.1039/D0CE00650E","","","0.71073","MoKα","","0.2182","0.1379","","","0.4028","0.4565","","","","","","1.268","","","","has coordinates","253506","2020-10-21","18:00:00",""
"7240794","7.0087","0.0001","12.3981","0.0002","15.1304","0.0003","90","","90","","90","","1314.75","0.04","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","5-fluorouracil L-phenylalanine","5-Fluoropyrimidine-2,4(1H,3H)-dione 2-ammonio-3-phenylpropanoate","","- C13 H14 F N3 O4 -","- C13 H14 F N3 O4 -","- C52 H56 F4 N12 O16 -","4","1","","Wang, Lin-Lin; Wang, Ling-Yang; Yu, Yueming; Li, Yan-Tuan; Wu, Zhi-Yong; Yan, Cui-Wei","Cocrystallization of 5-fluorouracil and L-phenylalanine: The first zwitterionic cocrystal of 5-fluorouracil with amino acid exhibiting the perfected in vitro/vivo pharmaceutical properties","CrystEngComm","2020","","","","","10.1039/D0CE00713G","","","1.54184","CuKα","","0.0344","0.032","","","0.0754","0.0775","","","","","","1.059","","","","has coordinates","253543","2020-10-21","18:00:00",""
"7240799","5.301","0.0002","10.0099","0.0003","15.2097","0.0006","90","","96.882","0.001","90","","801.25","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Co N4 O6 -","- C16 H14 Co N4 O6 -","- C32 H28 Co2 N8 O12 -","2","0.5","","García-Valdivia, Antonio A.; Zabala-Lekuona, Andoni; Ramírez-Rodríguez, Gloria Belén; Delgado-López, José Manuel; Fernandez, Belen; Cepeda, Javier; Rodríguez Diéguez, Antonio","2D-Coordination Polymers based on 1H-Indazole-4-carboxylic acid and Transition Metal ions: Magnetic, Luminescent and Biological Properties","CrystEngComm","2020","","","","","10.1039/D0CE00544D","","","0.71073","MoKα","","0.0284","0.0246","","","0.0642","0.0662","","","","","","0.989","","","","has coordinates","253588","2020-10-21","18:00:00",""
"7240800","12.3609","0.0015","9.9856","0.0011","12.3887","0.0014","90","","90","","90","","1529.1","0.3","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C16 H10 Cd N4 O4 -","- C16 H10 Cd N4 O4 -","- C64 H40 Cd4 N16 O16 -","4","0.5","","García-Valdivia, Antonio A.; Zabala-Lekuona, Andoni; Ramírez-Rodríguez, Gloria Belén; Delgado-López, José Manuel; Fernandez, Belen; Cepeda, Javier; Rodríguez Diéguez, Antonio","2D-Coordination Polymers based on 1H-Indazole-4-carboxylic acid and Transition Metal ions: Magnetic, Luminescent and Biological Properties","CrystEngComm","2020","","","","","10.1039/D0CE00544D","","","0.71069","MoKα","","0.1192","0.113","","","0.289","0.2917","","","","","","1.496","","","","has coordinates","253588","2020-10-21","18:00:00",""
"7240801","5.305","0.0003","9.988","0.0004","15.082","0.0007","90","","97.362","0.002","90","","792.55","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N4 Ni O6 -","- C16 H14 N4 Ni O6 -","- C32 H28 N8 Ni2 O12 -","2","0.5","","García-Valdivia, Antonio A.; Zabala-Lekuona, Andoni; Ramírez-Rodríguez, Gloria Belén; Delgado-López, José Manuel; Fernandez, Belen; Cepeda, Javier; Rodríguez Diéguez, Antonio","2D-Coordination Polymers based on 1H-Indazole-4-carboxylic acid and Transition Metal ions: Magnetic, Luminescent and Biological Properties","CrystEngComm","2020","","","","","10.1039/D0CE00544D","","","0.71069","MoKα","","0.0254","0.0223","","","0.0558","0.0571","","","","","","1.057","","","","has coordinates","253588","2020-10-21","18:00:00",""
"7240802","10.1061","0.0008","9.8617","0.0007","14.7053","0.0008","90","","94.716","0.002","90","","1460.62","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 Cu N4 O5 -","- C16 H12 Cu N4 O5 -","- C64 H48 Cu4 N16 O20 -","4","1","","García-Valdivia, Antonio A.; Zabala-Lekuona, Andoni; Ramírez-Rodríguez, Gloria Belén; Delgado-López, José Manuel; Fernandez, Belen; Cepeda, Javier; Rodríguez Diéguez, Antonio","2D-Coordination Polymers based on 1H-Indazole-4-carboxylic acid and Transition Metal ions: Magnetic, Luminescent and Biological Properties","CrystEngComm","2020","","","","","10.1039/D0CE00544D","","","0.71073","MoKα","","0.1269","0.0868","","","0.1254","0.1355","","","","","","1.201","","","","has coordinates","253588","2020-10-21","18:00:00",""
"7240803","9.6034","0.0019","16.434","0.003","15.873","0.003","90","","97.27","0.03","90","","2485","0.8","113","2","113.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H21 N3 O7 Zn -","- C28 H21 N3 O7 Zn -","- C112 H84 N12 O28 Zn4 -","4","1","","Xue, Peng Chong; Han, Yanning; Zhang, Tong; Huo, Jianzhong","Effect of electron-withdrawing moieties on mechanochromism of phenothiazine derivatives","CrystEngComm","2020","","","","","10.1039/D0CE00770F","","","0.71073","MoKα","","0.0749","0.054","","","0.1225","0.1362","","","","","","1.038","","","","has coordinates","253589","2020-10-21","18:00:00",""
"7240804","42.333","0.009","9.3912","0.0019","18.577","0.004","90","","113.69","0.03","90","","6763","3","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H30 N4.5 O10.5 Zn1.5 -","- C32 H30 N4.5 O10.5 Zn1.5 -","- C256 H240 N36 O84 Zn12 -","8","1","","Xue, Peng Chong; Han, Yanning; Zhang, Tong; Huo, Jianzhong","Effect of electron-withdrawing moieties on mechanochromism of phenothiazine derivatives","CrystEngComm","2020","","","","","10.1039/D0CE00770F","","","0.71073","MoKα","","0.0719","0.0554","","","0.1333","0.1438","","","","","","1.051","","","","has coordinates,has disorder","253589","2020-10-21","18:00:00",""
"7240805","18.9975","0.0009","9.0067","0.0004","10.9126","0.0006","90","","106.275","0.002","90","","1792.38","0.15","273.15","","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 Cl2 N3 O3 -","- C17 H17 Cl2 N3 O3 -","- C68 H68 Cl8 N12 O12 -","4","1","","da Silva, Cecilia; Owoyemi, Bolaji Charles Dayo; Alvarenga-Jr, Benedito R.; Alvarez, Natalia; Ellena, Javier A.; Carneiro, Renato Lajarim","Synthesis and solid-state characterization of diclofenac imidazolium monohydrate: an imidazolium pharmaceutical ionic liquid","CrystEngComm","2020","","","","","10.1039/D0CE00723D","","x-ray","0.71073","MoKα","","0.0739","0.0473","","","0.1183","0.1351","","","","","","1.026","","","","has coordinates,has disorder","253590","2020-10-21","18:00:00",""
"7240813","3.7755","0.00019","13.5798","0.0007","28.5543","0.0014","89.503","0.004","88.612","0.004","86.402","0.004","1460.64","0.13","295","1","295","1","","","","","","","","5","P 1","P 1","1","","2-Chloro-4-nitroaniline","","- C6 H5 Cl N2 O2 -","- C6 H5 Cl N2 O2 -","- C48 H40 Cl8 N16 O16 -","8","8","","Medviediev, Volodymyr; Shishkina, Svitlana V.; Ribalka, Andrii; Zaręba, Jan Kazimierz; Drozd, Marek; Daszkiewicz, Marek","Revisiting 2-chloro-4-nitroaniline: analysis of intricate supramolecular ordering of a triclinic polymorph featuring high Z value and strong second harmonic generation","CrystEngComm","2020","","","","","10.1039/D0CE00582G","","x-ray","0.71073","MoKα","","0.1238","0.0773","","","0.169","0.1877","","","","","","1.05","","","","has coordinates","253647","2020-10-21","18:00:00",""
"7240815","10.004","0.006","4.688","0.003","11.919","0.007","90","","93.2393","0.001","90","","558.1","0.6","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N-(2-Hydroxy-4-chlorobenzylidene)-4-chloroaniline","N-(4?-chlorosalicylidene)-4-chloroaniline","","- C13 H9 Cl2 N O -","- C13 H9 Cl2 N O -","- C26 H18 Cl4 N2 O2 -","2","0.5","","Zhang, Zaixiang; SUZUKI, Masahiro; YANG, Yu; Yoshikawa, Isao; Yin, Qiuxiang; Houjou, Hirohiko","Seed-triggered solid-to-solid transformation between color polymorphs: Striking differences between quasi-isomorphous crystals of dichloro-substituted salicylideneaniline regioisomers","CrystEngComm","2020","","","","","10.1039/D0CE00679C","","","0.71075","MoKα","","0.0576","0.0504","","","0.1187","0.1208","","","","","","1.265","","","","has coordinates,has disorder","253704","2020-10-21","18:00:00",""
"7240816","6.14","0.005","6.848","0.006","27.39","0.02","90","","95.26","0.02","90","","1146.8","1.6","93","2","93","2","","","","","","","","5","I 1 2/c 1","-I 2yc","15","N-(2-Hydroxy-4-chlorobenzylidene)-4-chloroaniline","N-(4?-chlorosalicylidene)-4-chloroaniline","","- C13 H9 Cl2 N O -","- C13 H9 Cl2 N O -","- C52 H36 Cl8 N4 O4 -","4","0.5","","Zhang, Zaixiang; SUZUKI, Masahiro; YANG, Yu; Yoshikawa, Isao; Yin, Qiuxiang; Houjou, Hirohiko","Seed-triggered solid-to-solid transformation between color polymorphs: Striking differences between quasi-isomorphous crystals of dichloro-substituted salicylideneaniline regioisomers","CrystEngComm","2020","","","","","10.1039/D0CE00679C","","","0.71075","MoKα","","0.0518","0.0447","","","0.0967","0.1002","","","","","","1.113","","","","has coordinates,has disorder","253704","2020-10-21","18:00:00",""
"7240817","20.427","0.006","4.5728","0.0013","12.101","0.004","90","","92.301","0.005","90","","1129.4","0.6","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N-(2-Hydroxy-5-chlorobenzylidene)-4-chloroaniline","N-(5?-chlorosalicylidene)-4-chloroaniline","","- C13 H9 Cl2 N O -","- C13 H9 Cl2 N O -","- C52 H36 Cl8 N4 O4 -","4","1","","Zhang, Zaixiang; SUZUKI, Masahiro; YANG, Yu; Yoshikawa, Isao; Yin, Qiuxiang; Houjou, Hirohiko","Seed-triggered solid-to-solid transformation between color polymorphs: Striking differences between quasi-isomorphous crystals of dichloro-substituted salicylideneaniline regioisomers","CrystEngComm","2020","","","","","10.1039/D0CE00679C","","","0.71075","MoKα","","0.0395","0.0333","","","0.0774","0.083","","","","","","1.072","","","","has coordinates","253704","2020-10-21","18:00:00",""
"7240818","5.1775","0.0007","17.585","0.002","16.534","0.002","90","","95.783","0.002","90","","1497.7","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","dicyclohexylammonium formate hydrate","","","- C13 H29 N O4 -","- C13 H29 N O4 -","- C52 H116 N4 O16 -","4","1","","Odendal, James A.; Bruce, Jocelyn C.; Koch, Klaus R.; Haynes, Delia A.","Ring stacking and laddering in ammonium carboxylate salts: extension to secondary ammonium salts","CrystEngComm","2020","","","","","10.1039/D0CE00616E","","","0.71073","MoKα","","0.0693","0.0555","","","0.1317","0.1397","","","","","","1.063","","","","has coordinates","253705","2020-10-21","18:00:00",""
"7240819","5.5919","0.001","10.782","0.002","15.271","0.003","93.444","0.003","93.522","0.003","94.507","0.003","914.2","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","dicyclohexylammonium phenylacetate","","","- C20 H31 N O2 -","- C20 H31 N O2 -","- C40 H62 N2 O4 -","2","1","","Odendal, James A.; Bruce, Jocelyn C.; Koch, Klaus R.; Haynes, Delia A.","Ring stacking and laddering in ammonium carboxylate salts: extension to secondary ammonium salts","CrystEngComm","2020","","","","","10.1039/D0CE00616E","","","0.71073","MoKα","","0.0534","0.0432","","","0.1076","0.1166","","","","","","1.058","","","","has coordinates","253705","2020-10-21","18:00:00",""
"7240820","19.216","0.003","8.1118","0.0009","16.8987","0.0019","90","","94.372","0.004","90","","2626.4","0.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","dicyclohexylammonium formate","","","- C13 H25 N O2 -","- C13 H25 N O2 -","- C104 H200 N8 O16 -","8","1","","Odendal, James A.; Bruce, Jocelyn C.; Koch, Klaus R.; Haynes, Delia A.","Ring stacking and laddering in ammonium carboxylate salts: extension to secondary ammonium salts","CrystEngComm","2020","","","","","10.1039/D0CE00616E","","","0.71073","MoKα","","0.0553","0.046","","","0.1201","0.1266","","","","","","1.026","","","","has coordinates","253705","2020-10-21","18:00:00",""
"7240821","5.727","0.0007","9.4987","0.0012","10.431","0.0013","95.286","0.002","90.783","0.002","103.644","0.002","548.71","0.12","100","2","100","2","","","","","","","","4","P 1","P 1","1","dicyclohexylammonium diphenylacetete","","","- C26 H35 N O2 -","- C26 H35 N O2 -","- C26 H35 N O2 -","1","1","","Odendal, James A.; Bruce, Jocelyn C.; Koch, Klaus R.; Haynes, Delia A.","Ring stacking and laddering in ammonium carboxylate salts: extension to secondary ammonium salts","CrystEngComm","2020","","","","","10.1039/D0CE00616E","","","0.71073","MoKα","","0.0464","0.044","","","0.1161","0.1188","","","","","","0.952","","","","has coordinates","253705","2020-10-21","18:00:00",""
"7240822","21.61","0.003","8.5291","0.0011","21.825","0.003","90","","90","","90","","4022.6","0.9","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","dibutylammonium diphenylacetate","","","- C22 H31 N O2 -","- C22 H31 N O2 -","- C176 H248 N8 O16 -","8","2","","Odendal, James A.; Bruce, Jocelyn C.; Koch, Klaus R.; Haynes, Delia A.","Ring stacking and laddering in ammonium carboxylate salts: extension to secondary ammonium salts","CrystEngComm","2020","","","","","10.1039/D0CE00616E","","","0.71073","MoKα","","0.1038","0.0745","","","0.1342","0.1464","","","","","","1.057","","","","has coordinates","253705","2020-10-21","18:00:00",""
"7240823","8.557","0.0014","9.8287","0.0016","12.292","0.002","77.147","0.003","75.054","0.003","83.311","0.003","971.9","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","dihexylammonium phenylacetate","","","- C20 H35 N O2 -","- C20 H35 N O2 -","- C40 H70 N2 O4 -","2","1","","Odendal, James A.; Bruce, Jocelyn C.; Koch, Klaus R.; Haynes, Delia A.","Ring stacking and laddering in ammonium carboxylate salts: extension to secondary ammonium salts","CrystEngComm","2020","","","","","10.1039/D0CE00616E","","","0.71073","MoKα","","0.0865","0.062","","","0.1324","0.1426","","","","","","1.09","","","","has coordinates","253705","2020-10-21","18:00:00",""
"7240824","8.3067","0.0007","16.4097","0.0013","11.4319","0.0009","90","","96.388","0.001","90","","1548.6","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","diethylammonium diphenylacetate","","","- C18 H23 N O2 -","- C18 H23 N O2 -","- C72 H92 N4 O8 -","4","1","","Odendal, James A.; Bruce, Jocelyn C.; Koch, Klaus R.; Haynes, Delia A.","Ring stacking and laddering in ammonium carboxylate salts: extension to secondary ammonium salts","CrystEngComm","2020","","","","","10.1039/D0CE00616E","","","0.71073","MoKα","","0.0537","0.0463","","","0.1098","0.1147","","","","","","1.032","","","","has coordinates","253705","2020-10-21","18:00:00",""
"7240825","9.7066","0.0006","8.1806","0.0004","10.371","0.0006","90","","114.199","0.007","90","","751.15","0.08","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H20 Cu N4 O6 -","- C11 H20 Cu N4 O6 -","- C22 H40 Cu2 N8 O12 -","2","1","","Smokrovic, Kristina; Đilović, Ivica; Matkovic-Calogovic, Dubravka","The affinity of copper(II) ions towards L-amino acids in the solid-state: a simple route towards mixed complexes","CrystEngComm","2020","","","","","10.1039/D0CE00687D","","x-ray","0.71073","MoKα","","0.0403","0.0334","","","0.0781","0.0815","","","","","","1.027","","","","has coordinates,has disorder","253706","2020-10-21","18:00:00",""
"7240829","14.5204","0.0011","18.1195","0.0013","26.172","0.0019","90","","104.071","0.001","90","","6679.3","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C122 H96 Eu6 N22 O42 -","- C114 H84 Eu6 N18 O42 -","- C228 H168 Eu12 N36 O84 -","2","0.5","","Sun, Ou; Chen, Peng; Li, Hongfeng; Gao, Ting; Yan, Pengfei","Wheel-like {Ln6} luminescent lanthanide complexes covering visible and near-infrared domains","CrystEngComm","2020","","","","","10.1039/D0CE00652A","","","0.71073","MoKα","","0.0557","0.0354","","","0.0757","0.0838","","","","","","1.077","","","","has coordinates,has disorder","254043","2020-10-21","18:00:00",""
"7240830","26.836","0.008","16.005","0.004","19.919","0.01","90","","128.163","0.006","90","","6727","4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C59 H73 N5 Ni3 O31 -","- C54 H58 N4 Ni3 O24 -","- C216 H232 N16 Ni12 O96 -","4","0.5","","Yang, Dong-Dong; Lu, Liping; Zhu, Miaoli","Structural Diversity, Magnetic Properties, or Luminescent Sensing Based Ni(II)/Zn(II) Coordination Polymers of the semirigid ligand of 3,3'-((5-car-boxy-1,3-phe-nylene)bis(oxy))diben¬zate","CrystEngComm","2020","","","","","10.1039/C9CE01998G","","","0.71073","MoKα","","0.1003","0.0569","","","0.1347","0.154","","","","","","1.019","","","","has coordinates","254044","2020-10-21","18:00:00",""
"7240831","10.0734","0.0003","10.7439","0.0003","13.9706","0.0004","80.34","0.001","79.996","0.001","64.717","0.001","1338.92","0.07","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H44 N4 O18 Zn2 -","- C62 H44 N4 O18 Zn2 -","- C62 H44 N4 O18 Zn2 -","1","0.5","","Yang, Dong-Dong; Lu, Liping; Zhu, Miaoli","Structural Diversity, Magnetic Properties, or Luminescent Sensing Based Ni(II)/Zn(II) Coordination Polymers of the semirigid ligand of 3,3'-((5-car-boxy-1,3-phe-nylene)bis(oxy))diben¬zate","CrystEngComm","2020","","","","","10.1039/C9CE01998G","","","0.71073","MoKα","","0.0792","0.0485","","","0.0878","0.1039","","","","","","1.066","","","","has coordinates","254044","2020-10-21","18:00:00",""
"7240832","26.833","0.003","16.349","0.0018","20.321","0.002","90","","130.554","0.003","90","","6773.3","1.3","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H77 N5 O34 Zn3 -","- C54 H58 N4 O24 Zn3 -","- C216 H232 N16 O96 Zn12 -","4","0.5","","Yang, Dong-Dong; Lu, Liping; Zhu, Miaoli","Structural Diversity, Magnetic Properties, or Luminescent Sensing Based Ni(II)/Zn(II) Coordination Polymers of the semirigid ligand of 3,3'-((5-car-boxy-1,3-phe-nylene)bis(oxy))diben¬zate","CrystEngComm","2020","","","","","10.1039/C9CE01998G","","","0.71073","MoKα","","0.1082","0.0761","","","0.249","0.2794","","","","","","1.048","","","","has coordinates","254044","2020-10-21","18:00:00",""
"7240833","13.466","0.0006","13.607","0.0006","13.7158","0.0006","97.812","0.002","103.166","0.002","94.058","0.002","2410.88","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C105 H83 N21 Ni3 O19 -","- C105 H83 N21 Ni3 O19 -","- C105 H83 N21 Ni3 O19 -","1","0.5","","Yang, Dong-Dong; Lu, Liping; Zhu, Miaoli","Structural Diversity, Magnetic Properties, or Luminescent Sensing Based Ni(II)/Zn(II) Coordination Polymers of the semirigid ligand of 3,3'-((5-car-boxy-1,3-phe-nylene)bis(oxy))diben¬zate","CrystEngComm","2020","","","","","10.1039/C9CE01998G","","","0.71073","MoKα","","0.0996","0.0577","","","0.1301","0.1517","","","","","","1.016","","","","has coordinates","254044","2020-10-21","18:00:00",""
"7240835","9.6034","0.0019","16.434","0.003","15.873","0.003","90","","97.27","0.03","90","","2485","0.8","113","2","113.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H21 N3 O7 Zn -","- C28 H21 N3 O7 Zn -","- C112 H84 N12 O28 Zn4 -","4","1","","Wang, Yi-Jun; Wang, Shen-Yu; Zhang, Yue; Xia, Bin; Li, Quan-Wen; Wang, Qing-Lun; Ma, Yue","Two zinc coordination polymers with photochromic behaviors and photo-controlled luminescence property","CrystEngComm","2020","","","","","10.1039/D0CE00725K","","","0.71073","MoKα","","0.0749","0.054","","","0.1225","0.1362","","","","","","1.038","","","","has coordinates","254099","2020-10-21","18:00:00",""
"7240836","42.333","0.009","9.3912","0.0019","18.577","0.004","90","","113.69","0.03","90","","6763","3","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H30 N4.5 O10.5 Zn1.5 -","- C32 H30 N4.5 O10.5 Zn1.5 -","- C256 H240 N36 O84 Zn12 -","8","1","","Wang, Yi-Jun; Wang, Shen-Yu; Zhang, Yue; Xia, Bin; Li, Quan-Wen; Wang, Qing-Lun; Ma, Yue","Two zinc coordination polymers with photochromic behaviors and photo-controlled luminescence property","CrystEngComm","2020","","","","","10.1039/D0CE00725K","","","0.71073","MoKα","","0.0719","0.0554","","","0.1333","0.1438","","","","","","1.051","","","","has coordinates,has disorder","254099","2020-10-21","18:00:00",""
"7240837","21.633","0.015","12.456","0.009","19.74","0.014","90","","105.3","0.015","90","","5131","6","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C12 N24 O15 -","- C12 N24 O15 -","- C96 N192 O120 -","8","1","","Zelenov, Victor P.; Baraboshkin, Nikita M.; Khakimov, Dmitry V.; Muravyev, Nikita V.; Meerov, Dmitry B.; Troyan, Ivan A.; Pivina, Tatyana S.; Dzyabchenko, Alexandr V.; Fedyanin, Ivan V.","Time for quartet: the stable 3 : 1 cocrystal formulation of FTDO and BTF ‒ a high-energy-density material","CrystEngComm","2020","","","","","10.1039/D0CE00639D","","","0.71073","MoKα","","0.0902","0.0414","","","0.088","0.1093","","","","","","1.012","","","","has coordinates,has disorder","254165","2020-10-21","18:00:00",""
"7240838","21.326","0.003","12.351","0.002","19.529","0.003","90","","105.919","0.003","90","","4946.6","1.3","120","2","120","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C12 N24 O15 -","- C12 N24 O15 -","- C96 N192 O120 -","8","1","","Zelenov, Victor P.; Baraboshkin, Nikita M.; Khakimov, Dmitry V.; Muravyev, Nikita V.; Meerov, Dmitry B.; Troyan, Ivan A.; Pivina, Tatyana S.; Dzyabchenko, Alexandr V.; Fedyanin, Ivan V.","Time for quartet: the stable 3 : 1 cocrystal formulation of FTDO and BTF ‒ a high-energy-density material","CrystEngComm","2020","","","","","10.1039/D0CE00639D","","","0.71073","MoKα","","0.0497","0.0373","","","0.0873","0.0935","","","","","","1.048","","","","has coordinates,has disorder","254165","2020-10-21","18:00:00",""
"7240839","10.3003","0.0011","10.3003","0.0011","10.3003","0.0011","90","","90","","90","","1092.8","0.2","296","2","296","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- Hf K2 O12 P3 Tb -","- Hf K2 O12 P3 Tb -","- Hf4 K8 O48 P12 Tb4 -","4","0.333333","","Zhao, Dan; Zhang, Shi-Rui; Zhang, Rui-Juan; Fan, Yan-Ping; Liu, Bao-Zhong; Shi, Lin-Ying","Energy transfer, multi-colour emission and high thermal stability behaviour of K2Tb1−xEuxHf(PO4)3 with langbeinite-type structure","CrystEngComm","2020","","","","","10.1039/D0CE00322K","","","0.71073","MoKα","","0.0407","0.0345","","","0.0629","0.0658","","","","","","1.056","","","","has coordinates","254166","2020-10-21","18:00:00",""
"7240845","16.609","0.005","16.984","0.005","13.707","0.004","90","","110.014","0.005","90","","3633.1","1.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H42 Cu2 N4 O16 -","- C28 H42 Cu2 N4 O16 -","- C112 H168 Cu8 N16 O64 -","4","1","","Zhang, Jian; Chen, Yang-Yang; Tan, Chunhong; Ma, Xiao; Wang, Xiao-Feng; Ou, Guang Chuan","Hydrogen-bonding Tuned Hydroxo-bridged Tetra-copper Cu4(bipy)4-cluster Supramolecular Network to Layer Coordination Polymer","CrystEngComm","2020","","","","","10.1039/D0CE00985G","","","0.71073","MoKα","","0.0865","0.0753","","","0.2505","0.2668","","","","","","1.156","","","","has coordinates","254261","2020-10-21","18:00:00",""
"7240846","14.6945","0.0017","17.218","0.002","25.968","0.003","90","","94.777","0.004","90","","6547.3","1.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H72 Cu4 N8 O26 -","- C56 H72 Cu4 N8 O26 -","- C224 H288 Cu16 N32 O104 -","4","1","","Zhang, Jian; Chen, Yang-Yang; Tan, Chunhong; Ma, Xiao; Wang, Xiao-Feng; Ou, Guang Chuan","Hydrogen-bonding Tuned Hydroxo-bridged Tetra-copper Cu4(bipy)4-cluster Supramolecular Network to Layer Coordination Polymer","CrystEngComm","2020","","","","","10.1039/D0CE00985G","","","0.71073","MoKα","","0.0882","0.0481","","","0.1011","0.1142","","","","","","1.042","","","","has coordinates","254261","2020-10-21","18:00:00",""
"7240847","9.0471","0.0007","12.6873","0.0009","13.3662","0.0009","89.49","0.003","73.453","0.003","75.303","0.003","1419.24","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H60 Cu4 N8 O20 -","- C56 H60 Cu4 N8 O20 -","- C56 H60 Cu4 N8 O20 -","1","0.5","","Zhang, Jian; Chen, Yang-Yang; Tan, Chunhong; Ma, Xiao; Wang, Xiao-Feng; Ou, Guang Chuan","Hydrogen-bonding Tuned Hydroxo-bridged Tetra-copper Cu4(bipy)4-cluster Supramolecular Network to Layer Coordination Polymer","CrystEngComm","2020","","","","","10.1039/D0CE00985G","","","0.71073","MoKα","","0.0445","0.0321","","","0.0821","0.1016","","","","","","1.004","","","","has coordinates","254261","2020-10-21","18:00:00",""
"7240848","36.971","0.015","4.3814","0.0015","11.483","0.005","90","","106.352","0.005","90","","1784.8","1.2","273","","273","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H10 F6 P S6 -","- C14 H10 F6 P S6 -","- C56 H40 F24 P4 S24 -","4","0.5","","Kadoya, Tomofumi; Sugiura, Shiori; Tahara, Keishiro; Higashino, Toshiki; Kubo, Kazuya; Sasaki, Takahiko; Takimiya, Kazuo; Yamada, Jun-ichi","Two-dimensional radical-cationic Mott insulator based on an electron donor containing neither tetrathiafulvalene nor tetrathiapentalene skeleton","CrystEngComm","2020","","","","","10.1039/D0CE00878H","","","0.71075","MoKα","","0.1112","0.1069","","","0.324","0.3406","","","","","","1.615","","","","has coordinates","254262","2020-10-21","18:00:00",""
"7240861","10.3837","0.0018","11.2946","0.0019","15.743","0.003","88.521","0.003","89.943","0.003","68.863","0.003","1721.5","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H35 Cl N6 O9 S2 -","- C29 H35 Cl N6 O9 S2 -","- C58 H70 Cl2 N12 O18 S4 -","2","1","","Das, Amitava; Dey, Ananta; Maity, Arunava; Singha Mahapatra, Tufan; Suresh, Eringathodi; Mandal, Amal Kumar","Tuneable Hierarchical Self-Assembly of C3-Symmetric Triaminoguanidium-derivative into Rhombic Dodecahedral Morphology","CrystEngComm","2020","","","","","10.1039/D0CE00909A","","","0.71073","MoKα","","0.0909","0.0634","","","0.1434","0.1578","","","","","","1.034","","","","has coordinates","254295","2020-10-21","18:00:00",""
"7240862","12.625","0.002","32.16","0.006","9.2409","0.0017","90","","95.599","0.004","90","","3734.1","1.1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H42 Cl N9 O9 -","- C34 H42 Cl N9 O9 -","- C136 H168 Cl4 N36 O36 -","4","1","","Das, Amitava; Dey, Ananta; Maity, Arunava; Singha Mahapatra, Tufan; Suresh, Eringathodi; Mandal, Amal Kumar","Tuneable Hierarchical Self-Assembly of C3-Symmetric Triaminoguanidium-derivative into Rhombic Dodecahedral Morphology","CrystEngComm","2020","","","","","10.1039/D0CE00909A","","","0.71073","MoKα","","0.1483","0.0946","","","0.1537","0.17","","","","","","1.152","","","","has coordinates","254295","2020-10-21","18:00:00",""
"7240864","7.468","0.0002","15.0583","0.0004","11.4401","0.0003","90","","102.293","0.001","90","","1257","0.06","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","CuIPyTBA_110K","","","- C9 H12 Cu I N2 O S -","- C9 H12 Cu I N2 O S -","- C36 H48 Cu4 I4 N8 O4 S4 -","4","1","","Rosendo, Paula; Perles, Josefina; Zamora, Felix; Delgado, Salome","Cu(I)-iodide coordination polymers with aromatic thioamides","CrystEngComm","2020","","","","","10.1039/D0CE00969E","","","0.71073","MoKα","","0.016","0.0149","","","0.05","0.0506","","","","","","1.29","","","","has coordinates","254328","2020-10-21","18:00:00",""
"7240865","7.5183","0.0001","15.1179","0.0002","11.7005","0.0002","90","","103.661","0.001","90","","1292.27","0.03","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","CuIPyTBA","","","- C9 H12 Cu I N2 O S -","- C9 H12 Cu I N2 O S -","- C36 H48 Cu4 I4 N8 O4 S4 -","4","1","","Rosendo, Paula; Perles, Josefina; Zamora, Felix; Delgado, Salome","Cu(I)-iodide coordination polymers with aromatic thioamides","CrystEngComm","2020","","","","","10.1039/D0CE00969E","","","0.71073","MoKα","","0.0225","0.0174","","","0.0501","0.0708","","","","","","1.12","","","","has coordinates","254328","2020-10-21","18:00:00",""
"7240866","12.4001","0.0002","32.1958","0.0008","9.1787","0.0002","90","","90","","90","","3664.42","0.13","296","2","296","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C6 H6 Cu I N2 S -","- C6 H6 Cu I N2 S -","- C96 H96 Cu16 I16 N32 S16 -","16","1","","Rosendo, Paula; Perles, Josefina; Zamora, Felix; Delgado, Salome","Cu(I)-iodide coordination polymers with aromatic thioamides","CrystEngComm","2020","","","","","10.1039/D0CE00969E","","","0.71073","MoKα","","0.0183","0.0168","","","0.0399","0.0405","","","","","","1.001","","","","has coordinates","254328","2020-10-21","18:00:00",""
"7240867","7.4048","0.0003","15.117","0.0004","11.639","0.0005","90","","102.61","0.001","90","","1271.42","0.08","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","CuIPYTBA (THF)","","","- C6 H6 Cu I N2 O0.33 S -","- C6 H6 Cu I N2 O0.3333 S -","- C24 H24 Cu4 I4 N8 O1.3332 S4 -","4","1","","Rosendo, Paula; Perles, Josefina; Zamora, Felix; Delgado, Salome","Cu(I)-iodide coordination polymers with aromatic thioamides","CrystEngComm","2020","","","","","10.1039/D0CE00969E","","","0.71073","MoKα","","0.0756","0.0494","","","0.1741","0.1939","","","","","","1.174","","","","has coordinates","254328","2020-10-21","18:00:00",""
"7240868","7.4081","0.0005","14.9049","0.0012","11.2422","0.0008","90","","101.787","0.004","90","","1215.15","0.16","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","CuIPYTBA (THF)_110K","","","- C7.33 H6 Cu I N2 O0.33 S -","- C7.3323 H6 Cu I N2 O0.333 S -","- C29.3292 H24 Cu4 I4 N8 O1.332 S4 -","4","1","","Rosendo, Paula; Perles, Josefina; Zamora, Felix; Delgado, Salome","Cu(I)-iodide coordination polymers with aromatic thioamides","CrystEngComm","2020","","","","","10.1039/D0CE00969E","","","0.71073","MoKα","","0.0809","0.0515","","","0.1388","0.1548","","","","","","1.077","","","","has coordinates","254328","2020-10-21","18:00:00",""
"7240869","7.3155","0.0015","10.622","0.007","10.658","0.005","90","","90","","90","","828.2","0.7","230","2","230","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-Acetyl-L-4-hydroxyproline","Oxaceprol","","- C7 H11 N O4 -","- C7 H11 N O4 -","- C28 H44 N4 O16 -","4","1","","Dittrich, Birger; Sever, Christoph; Luebben, Jens","Disappearing Disorder","CrystEngComm","2020","","","","","10.1039/D0CE00300J","","","0.6199","synchrotron","","0.0371","0.037","","","0.1029","0.103","","","","","","1.104","","","","has coordinates,has disorder","254329","2020-10-21","18:00:00",""
"7240870","8.211","0.0004","11.111","0.0005","15.3198","0.0007","90","","90","","90","","1397.66","0.11","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Imipenem monohydrate","","- C12 H19 N3 O5 S -","- C12 H19 N3 O5 S -","- C48 H76 N12 O20 S4 -","4","1","","Dittrich, Birger; Sever, Christoph; Luebben, Jens","Disappearing Disorder","CrystEngComm","2020","","","","","10.1039/D0CE00300J","","","0.7107","MoKα","","0.053","0.042","","","","0.053","","","","","","2.1","","","","has coordinates","288642","2024-01-03","13:53:25",""
"7240871","8.1964","0.0003","11.0921","0.0004","15.3137","0.0006","90","","90","","90","","1392.25","0.09","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Imipenem monohydrate","","- C12 H19 N3 O5 S -","- C12 H19 N3 O5 S -","- C48 H76 N12 O20 S4 -","4","1","","Dittrich, Birger; Sever, Christoph; Luebben, Jens","Disappearing Disorder","CrystEngComm","2020","","","","","10.1039/D0CE00300J","","","0.7107","MoKα","","0.053","0.041","","","","0.061","","","","","","2.136","","","","has coordinates","288642","2024-01-03","13:53:26",""
"7240872","8.2038","0.0004","11.0818","0.0006","15.3787","0.0003","90","","90","","90","","1398.12","0.11","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Imipenem monohydrate","","- C12 H19 N3 O5 S -","- C12 H19 N3 O5 S -","- C48 H76 N12 O20 S4 -","4","1","","Dittrich, Birger; Sever, Christoph; Luebben, Jens","Disappearing Disorder","CrystEngComm","2020","","","","","10.1039/D0CE00300J","","","1.54178","CuKα","","0.042","0.034","","","","0.03","","","","","","1.746","","","","has coordinates","288642","2024-01-03","13:53:26",""
"7240873","7.316","0.003","10.616","0.005","10.65","0.003","90","","90","","90","","827.1","0.6","215","2","215","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-Acetyl-L-4-hydroxyproline","Oxaceprol","","- C7 H11 N O4 -","- C7 H11 N O4 -","- C28 H44 N4 O16 -","4","1","","Dittrich, Birger; Sever, Christoph; Luebben, Jens","Disappearing Disorder","CrystEngComm","2020","","","","","10.1039/D0CE00300J","","","0.6199","synchrotron","","0.0579","0.0575","","","0.1345","0.135","","","","","","1.076","","","","has coordinates,has disorder","254329","2020-10-21","18:00:00",""
"7240874","8.19","0.03","11.054","0.002","15.31","0.06","90","","90","","90","","1386","7","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Imipenem monohydrate","","- C12 H19 N3 O5 S -","- C12 H19 N3 O5 S -","- C48 H76 N12 O20 S4 -","4","1","","Dittrich, Birger; Sever, Christoph; Luebben, Jens","Disappearing Disorder","CrystEngComm","2020","","","","","10.1039/D0CE00300J","","","0.46","synchrotron","","0.034","0.028","","","","0.055","","","","","","2.353","","","","has coordinates","288642","2024-01-03","13:53:26",""
"7240875","8.2041","0.001","11.1047","0.0014","15.302","0.002","90","","90","","90","","1394.1","0.3","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Imipenem monohydrate","","- C12 H19 N3 O5 S -","- C12 H19 N3 O5 S -","- C48 H76 N12 O20 S4 -","4","1","","Dittrich, Birger; Sever, Christoph; Luebben, Jens","Disappearing Disorder","CrystEngComm","2020","","","","","10.1039/D0CE00300J","","","0.7107","MoKα","","0.066","0.036","","","","0.046","","","","","","1.581","","","","has coordinates","288642","2024-01-03","13:53:26",""
"7240876","8.217","0.0004","11.1158","0.0005","15.3418","0.0007","90","","90","","90","","1401.3","0.11","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Imipenem monohydrate","","- C12 H19 N3 O5 S -","- C12 H19 N3 O5 S -","- C48 H76 N12 O20 S4 -","4","1","","Dittrich, Birger; Sever, Christoph; Luebben, Jens","Disappearing Disorder","CrystEngComm","2020","","","","","10.1039/D0CE00300J","","","0.7107","MoKα","","0.061","0.042","","","","0.06","","","","","","1.924","","","","has coordinates","288642","2024-01-03","13:53:26",""
"7240877","8.2601","0.0014","11.1144","0.0017","15.41","0.003","90","","90","","90","","1414.7","0.4","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Imipenem monohydrate","","- C12 H19 N3 O5 S -","- C12 H19 N3 O5 S -","- C48 H76 N12 O20 S4 -","4","1","","Dittrich, Birger; Sever, Christoph; Luebben, Jens","Disappearing Disorder","CrystEngComm","2020","","","","","10.1039/D0CE00300J","","","0.7107","MoKα","","0.065","0.037","","","","0.048","","","","","","1.783","","","","has coordinates","288642","2024-01-03","13:53:26",""
"7240878","19.2433","0.0019","6.5415","0.0007","20.661","0.002","90","","108.965","0.006","90","","2459.6","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,3-bis(2,6-diisopropylphenyl)-1H-imidazol-2-one","","- C27 H36 N2 O0.88 -","- C27 H36 N2 O0.883 -","- C108 H144 N8 O3.532 -","4","1","","Dittrich, Birger; Sever, Christoph; Luebben, Jens","Disappearing Disorder","CrystEngComm","2020","","","","","10.1039/D0CE00300J","","","0.71073","MoKα","","0.0686","0.0491","","","0.1192","0.1327","","","","","","1.109","","","","has coordinates,has disorder","254329","2020-10-21","18:00:00",""
"7240879","8.21","0.004","11.1142","0.0017","15.372","0.004","90","","90","","90","","1402.7","0.8","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Imipenem monohydrate","","- C12 H19 N3 O5 S -","- C12 H19 N3 O5 S -","- C48 H76 N12 O20 S4 -","4","1","","Dittrich, Birger; Sever, Christoph; Luebben, Jens","Disappearing Disorder","CrystEngComm","2020","","","","","10.1039/D0CE00300J","","","0.6358","synchrotron","","0.024","0.023","","","","0.056","","","","","","2.345","","","","has coordinates","288642","2024-01-03","13:53:26",""
"7240880","8.174","0.004","11.08","0.006","15.295","0.01","90","","90","","90","","1385.2","1.4","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Imipenem monohydrate","","- C12 H19 N3 O5 S -","- C12 H19 N3 O5 S -","- C48 H76 N12 O20 S4 -","4","1","","Dittrich, Birger; Sever, Christoph; Luebben, Jens","Disappearing Disorder","CrystEngComm","2020","","","","","10.1039/D0CE00300J","","","0.4769","synchrotron","","0.077","0.048","","","","0.084","","","","","","1.372","","","","has coordinates","288642","2024-01-03","13:53:26",""
"7240881","8.184","0.009","11.092","0.009","15.296","0.008","90","","90","","90","","1389","2","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Imipenem monohydrate","","- C12 H19 N3 O5 S -","- C12 H19 N3 O5 S -","- C48 H76 N12 O20 S4 -","4","1","","Dittrich, Birger; Sever, Christoph; Luebben, Jens","Disappearing Disorder","CrystEngComm","2020","","","","","10.1039/D0CE00300J","","","0.4769","synchrotron","","0.056","0.039","","","","0.065","","","","","","1.433","","","","has coordinates","288642","2024-01-03","13:53:26",""
"7240882","19.2069","0.001","6.5424","0.0003","20.5081","0.0012","90","","109.174","0.003","90","","2434.1","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,3-bis(2,6-diisopropylphenyl)-1H-imidazol-one","","- C27 H36 N2 O -","- C27 H36 N2 O -","- C108 H144 N8 O4 -","4","1","","Dittrich, Birger; Sever, Christoph; Luebben, Jens","Disappearing Disorder","CrystEngComm","2020","","","","","10.1039/D0CE00300J","","","0.71073","MoKα","","0.0615","0.0503","","","0.1148","0.1196","","","","","","1.154","","","","has coordinates","254329","2020-10-21","18:00:00",""
"7240883","7.6784","0.0003","10.7811","0.0004","9.5685","0.0004","90","","97.899","0.002","90","","784.58","0.05","170","2","169.99","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","methyl (2-aminophenyl)carbamate","","- C8 H8 N2 O2 -","- C8 H8 N2 O2 -","- C32 H32 N8 O8 -","4","1","","Pike, Sarah J.; Heliot, Armelle; Seaton, Colin C.","ortho-Substituent effect on the crystal packing and solid state speciation of aromatic C-nitroso compounds","CrystEngComm","2020","","","","","10.1039/D0CE00728E","","","0.71073","MoKα","","0.0644","0.044","","","0.1169","0.1318","","","","","","1.043","","","","has coordinates","254370","2020-10-21","18:00:00",""
"7240884","5.4498","0.0009","9.1487","0.0016","15.499","0.003","90","","98.193","0.003","90","","764.9","0.2","150","2","150.01","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(hydroxyimino)naphthalen-2(1H)-one","","- C10 H7 N O2 -","- C10 H7 N O2 -","- C40 H28 N4 O8 -","4","1","","Pike, Sarah J.; Heliot, Armelle; Seaton, Colin C.","ortho-Substituent effect on the crystal packing and solid state speciation of aromatic C-nitroso compounds","CrystEngComm","2020","","","","","10.1039/D0CE00728E","","","0.71073","MoKα","","0.0786","0.0481","","","0.1272","0.1497","","","","","","1.018","","","","has coordinates","254370","2020-10-21","18:00:00",""
"7240885","8.1552","0.0006","10.3206","0.0008","14.38","0.0012","90","","90","","90","","1210.32","0.16","105","2","104.71","","","","","","","","","4","P b c a","-P 2ac 2ab","61","trans-o,o'-azodioxytoluene","1, 2-bis(2mehtylphenyl)diazene 1,2-dioxide","","- C14 H14 N2 O2 -","- C14 H14 N2 O2 -","- C56 H56 N8 O8 -","4","0.5","","Pike, Sarah J.; Heliot, Armelle; Seaton, Colin C.","ortho-Substituent effect on the crystal packing and solid state speciation of aromatic C-nitroso compounds","CrystEngComm","2020","","","","","10.1039/D0CE00728E","","","0.71073","MoKα","","0.0896","0.0497","","","0.1099","0.1302","","","","","","1.026","","","","has coordinates","254370","2020-10-21","18:00:00",""
"7240886","15.176","0.0013","10.4211","0.0006","15.5264","0.0012","90","","90","0.007","90","","2455.5","0.3","100","2","100.15","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","cis-o,o'-azodioxytoluene","Z-1, 2-bis(2-methylphenyl)diazene 1,2-dioxide","","- C14 H14 N2 O2 -","- C14 H14 N2 O2 -","- C112 H112 N16 O16 -","8","1","","Pike, Sarah J.; Heliot, Armelle; Seaton, Colin C.","ortho-Substituent effect on the crystal packing and solid state speciation of aromatic C-nitroso compounds","CrystEngComm","2020","","","","","10.1039/D0CE00728E","","","0.71073","MoKα","","0.126","0.0522","","","0.098","0.1121","","","","","","0.826","","","","has coordinates","254370","2020-10-21","18:00:00",""
"7240887","7.0409","0.0007","7.1841","0.0008","7.186","0.0009","61.943","0.007","65.01","0.007","64.427","0.007","278.14","0.06","150","2","149.99","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H6 F4 N2 O2 -","- C12 H6 F4 N2 O2 -","- C12 H6 F4 N2 O2 -","1","0.5","","Pike, Sarah J.; Heliot, Armelle; Seaton, Colin C.","ortho-Substituent effect on the crystal packing and solid state speciation of aromatic C-nitroso compounds","CrystEngComm","2020","","","","","10.1039/D0CE00728E","","","0.71073","MoKα","","0.0829","0.0656","","","0.1965","0.212","","","","","","1.059","","","","has coordinates","254370","2020-10-21","18:00:00",""
"7240888","5.6472","0.0008","14.1772","0.0019","14.269","0.0018","93.043","0.008","92.475","0.008","93.34","0.008","1137.6","0.3","100","2","100.11","","","","","","","","","4","P -1","-P 1","2","","N-(2-nitrosophenyl)pivalamide","","- C11 H14 N2 O3 -","- C11 H14 N2 O3 -","- C44 H56 N8 O12 -","4","2","","Pike, Sarah J.; Heliot, Armelle; Seaton, Colin C.","ortho-Substituent effect on the crystal packing and solid state speciation of aromatic C-nitroso compounds","CrystEngComm","2020","","","","","10.1039/D0CE00728E","","","0.71073","MoKα","","0.1361","0.0571","","","0.1116","0.1386","","","","","","1.002","","","","has coordinates,has disorder","254370","2020-10-21","18:00:00",""
"7240897","7.679","0.004","24.128","0.011","9.496","0.004","90","","113.85","","90","","1609.2","1.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H10 Co N4 O4 -","- C16 H10 Co N4 O4 -","- C64 H40 Co4 N16 O16 -","4","1","","Wei, Xiao-Qin; Shao, Dong; Xue, Cai-Long; Qu, Xingyu; Chai, Jie; Li, Jianqing; Du, Yi-En; chen, yongqiang","Field-induced slow magnetic relaxation in two interpenetrated cobalt(II) metal-organic framework isomers","CrystEngComm","2020","","","","","10.1039/D0CE00979B","","","0.71073","MoKα","","0.1155","0.071","","","0.1618","0.1783","","","","","","0.964","","","","has coordinates","254420","2020-10-21","18:00:00",""
"7240898","14.8116","0.0008","8.7686","0.0004","14.8164","0.0007","90","","90","","90","","1924.31","0.16","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H10 Co N4 O4 -","- C16 H10 Co N4 O4 -","- C64 H40 Co4 N16 O16 -","4","1","","Wei, Xiao-Qin; Shao, Dong; Xue, Cai-Long; Qu, Xingyu; Chai, Jie; Li, Jianqing; Du, Yi-En; chen, yongqiang","Field-induced slow magnetic relaxation in two interpenetrated cobalt(II) metal-organic framework isomers","CrystEngComm","2020","","","","","10.1039/D0CE00979B","","","0.71073","MoKα","","0.0829","0.0477","","","0.1149","0.1428","","","","","","0.845","","","","has coordinates","254420","2020-10-21","18:00:00",""
"7240899","8.4111","0.0009","10.3053","0.0011","11.1643","0.0012","67.827","0.002","85.4","0.003","79.241","0.003","880.34","0.16","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H46 I2 Na2 O12 -","- C26 H46 I2 Na2 O12 -","- C26 H46 I2 Na2 O12 -","1","0.5","","Kim, Seulgi; Park, In-Hyeok; Lee, Shim Sung; Sim, Wonbo; Lee, Jai Young","Alkali metal complexes of bis-o-xylyl-(17-crown-5): from dinuclear monomer and dinuclear polymer to sandwich polymer","CrystEngComm","2020","","","","","10.1039/D0CE00864H","","","0.71073","MoKα","","0.0671","0.0654","","","0.2656","0.2666","","","","","","1.094","","","","has coordinates","254422","2020-10-21","18:00:00",""
"7240900","14.8016","0.0014","15.8098","0.0016","16.8878","0.0014","90","","111.541","0.005","90","","3675.9","0.6","203","2","203","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H21 F6 K O5 P -","- C13 H21 F6 K O5 P -","- C104 H168 F48 K8 O40 P8 -","8","1","","Kim, Seulgi; Park, In-Hyeok; Lee, Shim Sung; Sim, Wonbo; Lee, Jai Young","Alkali metal complexes of bis-o-xylyl-(17-crown-5): from dinuclear monomer and dinuclear polymer to sandwich polymer","CrystEngComm","2020","","","","","10.1039/D0CE00864H","","","0.71073","MoKα","","0.0971","0.0623","","","0.1662","0.1877","","","","","","1.075","","","","has coordinates,has disorder","254422","2020-10-21","18:00:00",""
"7240901","9.6204","0.0004","23.8722","0.0011","9.3051","0.0004","90","","117.294","0.002","90","","1899.09","0.15","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H21 Cl0.5 Cs0.5 O5 -","- C13 H21 Cl0.5 Cs0.5 O5 -","- C52 H84 Cl2 Cs2 O20 -","4","1","","Kim, Seulgi; Park, In-Hyeok; Lee, Shim Sung; Sim, Wonbo; Lee, Jai Young","Alkali metal complexes of bis-o-xylyl-(17-crown-5): from dinuclear monomer and dinuclear polymer to sandwich polymer","CrystEngComm","2020","","","","","10.1039/D0CE00864H","","","0.71073","MoKα","","0.0877","0.0725","","","0.2103","0.2211","","","","","","1.072","","","","has coordinates","254422","2020-10-21","18:00:00",""
"7240902","10.0468","0.0003","7.6582","0.0002","9.6509","0.0002","90","","117.188","0.003","90","","660.5","0.03","190","2","190","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Br2 O4 -","- C12 H12 Br2 O4 -","- C24 H24 Br4 O8 -","2","0.5","","AL-Fayaad, Hydar; Arachchige, Kasun; Clegg, Jack Kay","A heterofunctional ligand approach for the preparation of high connectivity coordination polymers: combining a “bridge” and “pillar” in one ligand","CrystEngComm","2020","","","","","10.1039/D0CE01020K","","","0.71073","MoKα","","0.0396","0.0323","","","0.0744","0.0794","","","","","","1.117","","","","has coordinates","254423","2020-10-21","18:00:00",""
"7240903","10.62","0.002","8.42","0.0017","17.35","0.004","90","","107.64","0.03","90","","1478.5","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H10 N2 O5 Zn -","- C18 H10 N2 O5 Zn -","- C72 H40 N8 O20 Zn4 -","4","1","","AL-Fayaad, Hydar; Arachchige, Kasun; Clegg, Jack Kay","A heterofunctional ligand approach for the preparation of high connectivity coordination polymers: combining a “bridge” and “pillar” in one ligand","CrystEngComm","2020","","","","","10.1039/D0CE01020K","","","0.7108","synchrotron","","0.0897","0.0545","","","0.1228","0.1394","","","","","","1.013","","","","has coordinates","254423","2020-10-21","18:00:00",""
"7240904","9.424","0.0019","9.502","0.0019","20.94","0.004","90","","90","","90","","1875.1","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 N2 O4 -","- C22 H20 N2 O4 -","- C88 H80 N8 O16 -","4","1","","AL-Fayaad, Hydar; Arachchige, Kasun; Clegg, Jack Kay","A heterofunctional ligand approach for the preparation of high connectivity coordination polymers: combining a “bridge” and “pillar” in one ligand","CrystEngComm","2020","","","","","10.1039/D0CE01020K","","","0.7108","Synchrotron","","0.0439","0.0429","","","0.1121","0.1128","","","","","","1.117","","","","has coordinates","254423","2020-10-21","18:00:00",""
"7240905","10.4109","0.0006","11.1279","0.0007","12.1125","0.001","101.58","0.007","98.222","0.006","117.146","0.006","1178.13","0.17","190","2","190","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H58 N4 Na2 O26 -","- C36 H58 N4 Na2 O26 -","- C36 H58 N4 Na2 O26 -","1","0.5","","AL-Fayaad, Hydar; Arachchige, Kasun; Clegg, Jack Kay","A heterofunctional ligand approach for the preparation of high connectivity coordination polymers: combining a “bridge” and “pillar” in one ligand","CrystEngComm","2020","","","","","10.1039/D0CE01020K","","","0.71073","MoKα","","0.1085","0.0947","","","0.1949","0.2013","","","","","","1.268","","","","has coordinates","254423","2020-10-21","18:00:00",""
"7240908","9.3908","0.0003","10.6494","0.0004","10.7328","0.0003","99.224","0.003","111.029","0.003","91.986","0.003","983.95","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 Cl4 N4 Zn -","- C16 H18 Cl4 N4 Zn -","- C32 H36 Cl8 N8 Zn2 -","2","1","","Vassilyeva, Olga Yu.; Buvaylo, Elena A.; Linnik, Rostyslav P.; Nesterov, Dmytro S.; Trachevsky, Vladimir V.; Skelton, Brian W.","Synthetic strategy towards halometallates with imidazo[1,5-a]pyridinium-based counterions","CrystEngComm","2020","","","","","10.1039/D0CE00018C","","x-ray","0.71073","MoKα","","0.049","0.0375","","","0.0984","0.1062","","","","","","1.046","","","","has coordinates","254452","2020-10-21","18:00:00",""
"7240909","8.3872","0.0005","14.4806","0.0007","13.0923","0.0009","90","","102.917","0.002","90","","1549.84","0.16","296","2","296","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C13 H15 Cl2 N3 O2 Pd -","- C13 H15 Cl2 N3 O2 Pd -","- C52 H60 Cl8 N12 O8 Pd4 -","4","0.5","","Vassilyeva, Olga Yu.; Buvaylo, Elena A.; Linnik, Rostyslav P.; Nesterov, Dmytro S.; Trachevsky, Vladimir V.; Skelton, Brian W.","Synthetic strategy towards halometallates with imidazo[1,5-a]pyridinium-based counterions","CrystEngComm","2020","","","","","10.1039/D0CE00018C","","x-ray","0.71073","MoKα","","0.0398","0.0284","","","0.0577","0.0626","","","","","","1.114","","","","has coordinates","254452","2020-10-21","18:00:00",""
"7240910","43.5467","0.0012","24.859","0.0007","4.3222","0.0001","90","","90","","90","","4678.9","0.2","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C8 H9 Cl3 N2 Pb -","- C8 H9 Cl3 N2 Pb -","- C128 H144 Cl48 N32 Pb16 -","16","1","","Vassilyeva, Olga Yu.; Buvaylo, Elena A.; Linnik, Rostyslav P.; Nesterov, Dmytro S.; Trachevsky, Vladimir V.; Skelton, Brian W.","Synthetic strategy towards halometallates with imidazo[1,5-a]pyridinium-based counterions","CrystEngComm","2020","","","","","10.1039/D0CE00018C","","x-ray","0.71073","MoKα","","0.026","0.0204","","","0.0304","0.0318","","","","","","0.875","","","","has coordinates","254452","2020-10-21","18:00:00",""
"7240911","5.3119","0.0003","14.3087","0.0006","15.0594","0.0009","90","","90.017","0.005","90","","1144.61","0.11","248.56","0.1","248.56","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 I N2 O -","- C12 H9 I N2 O -","- C48 H36 I4 N8 O4 -","4","1","","Uriel Rubio, Santiago; González, Lucía; Graus, Sara; Tejedor, Rosa María; Chantapally, Anjana; Serrano, Jose Luis","The combination of halogen and hydrogen bonding: a versatile tool in coordination chemistry","CrystEngComm","2020","","","","","10.1039/D0CE00832J","","","0.7107","MoKα","","0.0529","0.0376","","","0.0655","0.0703","","","","","","1.045","","","","has coordinates","254453","2020-10-21","18:00:00",""
"7240912","4.303","0.0012","14.824","0.005","25.84","0.008","90","","90","","90","","1648.3","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 Hg I3 N2 O -","- C12 H9 Hg I3 N2 O -","- C48 H36 Hg4 I12 N8 O4 -","4","1","","Uriel Rubio, Santiago; González, Lucía; Graus, Sara; Tejedor, Rosa María; Chantapally, Anjana; Serrano, Jose Luis","The combination of halogen and hydrogen bonding: a versatile tool in coordination chemistry","CrystEngComm","2020","","","","","10.1039/D0CE00832J","","","0.7107","MoKα","","0.0666","0.042","","","0.0778","0.0872","","","","","","1.042","","","","has coordinates","254453","2020-10-21","18:00:00",""
"7240913","14.2615","0.0006","8.9996","0.0003","29.6078","0.0013","90","","90","","90","","3800.1","0.3","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C38 H28 I2 N4 O6 Zn -","- C38 H28 I2 N4 O6 Zn -","- C152 H112 I8 N16 O24 Zn4 -","4","0.5","","Uriel Rubio, Santiago; González, Lucía; Graus, Sara; Tejedor, Rosa María; Chantapally, Anjana; Serrano, Jose Luis","The combination of halogen and hydrogen bonding: a versatile tool in coordination chemistry","CrystEngComm","2020","","","","","10.1039/D0CE00832J","","","0.71073","MoKα","","0.0382","0.0315","","","0.0726","0.0764","","","","","","1.024","","","","has coordinates","254453","2020-10-21","18:00:00",""
"7240914","9.3872","0.0005","11.4744","0.0004","13.2529","0.0006","107.591","0.004","110.075","0.005","94.437","0.004","1251.66","0.12","291.88","0.1","291.88","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C24 H18 Ag I2 N5 O5 -","- C24 H18 Ag I2 N5 O5 -","- C48 H36 Ag2 I4 N10 O10 -","2","1","","Uriel Rubio, Santiago; González, Lucía; Graus, Sara; Tejedor, Rosa María; Chantapally, Anjana; Serrano, Jose Luis","The combination of halogen and hydrogen bonding: a versatile tool in coordination chemistry","CrystEngComm","2020","","","","","10.1039/D0CE00832J","","","0.7107","MoKα","","0.0336","0.0295","","","0.0638","0.0677","","","","","","1.033","","","","has coordinates","254453","2020-10-21","18:00:00",""
"7240915","9.7184","0.0002","27.7576","0.0006","9.8707","0.0002","90","","91.04","0.002","90","","2662.28","0.1","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Br2 I2 N4 O2 Zn -","- C24 H18 Br2 I2 N4 O2 Zn -","- C96 H72 Br8 I8 N16 O8 Zn4 -","4","1","","Uriel Rubio, Santiago; González, Lucía; Graus, Sara; Tejedor, Rosa María; Chantapally, Anjana; Serrano, Jose Luis","The combination of halogen and hydrogen bonding: a versatile tool in coordination chemistry","CrystEngComm","2020","","","","","10.1039/D0CE00832J","","","1.5418","CuKα","","0.0521","0.05","","","0.1287","0.1304","","","","","","1.071","","","","has coordinates","254453","2020-10-21","18:00:00",""
"7240921","6.45","0.005","6.733","0.007","10.676","0.007","84.312","0.014","78.116","0.014","68.519","0.014","422","0.6","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C2 H8 N6 Na O5 -","- C2 H8 N6 Na O5 -","- C4 H16 N12 Na2 O10 -","2","1","","Chen, Xiang; Guo, Zhaoqi; Zhang, Cong; Gao, Rong; Zhang, Jianguo; Ma, Haixia","Constructing 3D layered energetic metal-organic framework with strong stacking interactions of hydrogen-bridged rings: the way to insensitive high energy complex","CrystEngComm","2020","","","","","10.1039/D0CE00643B","","","0.71073","MoKα","","0.1132","0.0752","","","0.1961","0.2183","","","","","","0.979","","","","has coordinates","254491","2020-10-21","18:00:00",""
"7240922","3.752","0.002","7.27","0.004","12.06","0.007","106.15","0.009","90.023","0.01","98.389","0.008","312.3","0.3","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C2 H4 N6 Na O3 -","- C2 H4 N6 Na O3 -","- C4 H8 N12 Na2 O6 -","2","1","","Chen, Xiang; Guo, Zhaoqi; Zhang, Cong; Gao, Rong; Zhang, Jianguo; Ma, Haixia","Constructing 3D layered energetic metal-organic framework with strong stacking interactions of hydrogen-bridged rings: the way to insensitive high energy complex","CrystEngComm","2020","","","","","10.1039/D0CE00643B","","","0.71073","MoKα","","0.0727","0.0517","","","0.1178","0.1301","","","","","","1.034","","","","has coordinates","254491","2020-10-21","18:00:00",""
"7240923","10.7235","0.001","10.3296","0.0009","19.0512","0.0016","90","","102.018","0.003","90","","2064","0.3","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 Fe N6 O4 -","- C20 H23 Fe N6 O4 -","- C80 H92 Fe4 N24 O16 -","4","1","","Basak, Tanmoy; Das, Dhananjoy; Ray, Partha Pratim; Banerjee, Snehasis; Chattopadhyay, Shouvik","Synthesis, characterization, self-assembly and non-ohmic Schottky barrier diode behaviors of two iron(iii) based semiconductors with theoretical insight","CrystEngComm","2020","","","","","10.1039/D0CE00223B","","","0.71073","MoKα","","0.0531","0.0373","","","0.093","0.1049","","","","","","1.084","","","","has coordinates","254492","2020-10-21","18:00:00",""
"7240924","11.572","0.012","14.317","0.014","15.366","0.016","90","","112","0.03","90","","2360","4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H27 Fe N6 O4 -","- C22 H27 Fe N6 O4 -","- C88 H108 Fe4 N24 O16 -","4","1","","Basak, Tanmoy; Das, Dhananjoy; Ray, Partha Pratim; Banerjee, Snehasis; Chattopadhyay, Shouvik","Synthesis, characterization, self-assembly and non-ohmic Schottky barrier diode behaviors of two iron(iii) based semiconductors with theoretical insight","CrystEngComm","2020","","","","","10.1039/D0CE00223B","","","0.71073","MoKα","","0.0382","0.0324","","","0.097","0.1077","","","","","","1.108","","","","has coordinates,has disorder","254492","2020-10-21","18:00:00",""
"7240925","8.908","0.002","14.714","0.004","15.163","0.006","90","","97.85","0.03","90","","1968.8","1.1","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H43.48 N4 O18.74 S2 U2 -","- C24 H42 N4 O18.74 S2 U2 -","- C48 H84 N8 O37.48 S4 U4 -","2","0.5","","Grabias, Ewelina; Tarasiuk, Bogdan; Dołęga, Anna; Majdan, Marek","New uranium(VI) and isothiouronium complexes: synthesis, crystal structure, spectroscopic characterization and a DFT study","CrystEngComm","2020","","","","","10.1039/D0CE00746C","","x-ray","0.71073","MoKα","","0.0353","0.0285","","","0.0678","0.0711","","","","","","1.044","","","","has coordinates","254493","2020-10-21","18:00:00",""
"7240926","5.6982","0.0004","6.3203","0.0005","11.4318","0.0008","90.47","0.006","93.651","0.005","99.991","0.006","404.56","0.05","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H20 Cl2 N4 S2 -","- C12 H20 Cl2 N4 S2 -","- C12 H20 Cl2 N4 S2 -","1","0.5","","Grabias, Ewelina; Tarasiuk, Bogdan; Dołęga, Anna; Majdan, Marek","New uranium(VI) and isothiouronium complexes: synthesis, crystal structure, spectroscopic characterization and a DFT study","CrystEngComm","2020","","","","","10.1039/D0CE00746C","","x-ray","0.71073","MoKα","","0.0452","0.0349","","","0.0884","0.0925","","","","","","1.032","","","","has coordinates","254493","2020-10-21","18:00:00",""
"7240927","8.3086","0.0004","27.7798","0.0016","15.6569","0.0007","90","","104.734","0.003","90","","3495","0.3","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 Cl2 N4 S2 -","- C14 H18 Cl2 N4 S2 -","- C112 H144 Cl16 N32 S16 -","8","1","","Grabias, Ewelina; Tarasiuk, Bogdan; Dołęga, Anna; Majdan, Marek","New uranium(VI) and isothiouronium complexes: synthesis, crystal structure, spectroscopic characterization and a DFT study","CrystEngComm","2020","","","","","10.1039/D0CE00746C","","x-ray","0.71073","MoKα","","0.1188","0.067","","","0.1438","0.1703","","","","","","1.039","","","","has coordinates","254493","2020-10-21","18:00:00",""
"7240928","9.294","0.0002","13.8446","0.0004","16.1184","0.0004","90","","93.793","0.002","90","","2069.44","0.09","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H26 N4 O4 S2 -","- C16 H26 N4 O4 S2 -","- C64 H104 N16 O16 S8 -","4","1","","Grabias, Ewelina; Tarasiuk, Bogdan; Dołęga, Anna; Majdan, Marek","New uranium(VI) and isothiouronium complexes: synthesis, crystal structure, spectroscopic characterization and a DFT study","CrystEngComm","2020","","","","","10.1039/D0CE00746C","","x-ray","0.71073","MoKα","","0.0451","0.0358","","","0.0847","0.0894","","","","","","1.062","","","","has coordinates","254493","2020-10-21","18:00:00",""
"7240929","12.442","0.006","7.5206","0.0015","29.72","0.01","90","","96.79","0.03","90","","2761.4","1.7","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H27 Cl N4 O8 S2 U -","- C20 H27 Cl N4 O8 S2 U -","- C80 H108 Cl4 N16 O32 S8 U4 -","4","1","","Grabias, Ewelina; Tarasiuk, Bogdan; Dołęga, Anna; Majdan, Marek","New uranium(VI) and isothiouronium complexes: synthesis, crystal structure, spectroscopic characterization and a DFT study","CrystEngComm","2020","","","","","10.1039/D0CE00746C","","x-ray","0.71073","MoKα","","0.0485","0.0464","","","0.1172","0.1185","","","","","","1.175","","","","has coordinates","254493","2020-10-21","18:00:00",""
"7240930","5.7358","0.0002","7.1947","0.0002","13.6224","0.0004","102.176","0.002","92.789","0.002","108.166","0.003","518.15","0.03","299.57","0.1","299.57","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C10 H10 O7 -","- C10 H10 O7 -","- C20 H20 O14 -","2","1","","Yang, Jinyue; Wang, Na; Tian, Beiqian; Ji, Xiongtao; Hou, Baohong; Wang, Ting; Huang, Xin; Su, Junquan; Yang, Zhanao; Hao, Hongxun","Multicomponent supramolecular assembly of p-hydroxybenzoic acid and malonic acid: a deep insight into the formation of selective cocrystal","CrystEngComm","2020","","","","","10.1039/D0CE00833H","","x-ray","0.71073","MoKα","","0.0797","0.0476","","","0.1101","0.1338","","","","","","1.021","","","","has coordinates","254494","2020-10-21","18:00:00",""
"7240931","17.212","0.003","17.212","0.003","17.168","0.0018","90","","90","","90","","5086.1","1.4","293","","293","","","","","","","","","4","P -4 21 m","P -4 2ab","113","wuf-30","","","- C48 H30 O16 Zn4 -","- C48 H29.5 O16 Zn4 -","- C96 H59 O32 Zn8 -","2","0.25","","Ablott, Timothy Andrew; Telfer, Shane; Richardson, Christopher","A post-synthetically reduced borane-functionalised metal-organic framework with oxidation-inhibiting reactivity","CrystEngComm","2020","","","","","10.1039/D0CE00930J","","x-ray","1.54178","CuKα","","0.1844","0.1781","","","0.4773","0.4859","","","","","","1.925","","","","has coordinates,has disorder","254530","2020-10-21","18:00:00",""
"7240932","17.1805","0.0003","17.1805","0.0003","17.1173","0.0006","90","","90","","90","","5052.5","0.2","292","","292","","","","","","","","","4","P -4 21 m","P -4 2ab","113","WUF-31","","","- C48 H36 O16 Zn4 -","- C47.5 H35.5 O16 Zn4 -","- C95 H71 O32 Zn8 -","2","0.25","","Ablott, Timothy Andrew; Telfer, Shane; Richardson, Christopher","A post-synthetically reduced borane-functionalised metal-organic framework with oxidation-inhibiting reactivity","CrystEngComm","2020","","","","","10.1039/D0CE00930J","","","1.54178","CuKα","","0.0835","0.0741","","","0.2323","0.2433","","","","","","1.166","","","","has coordinates,has disorder","254530","2020-10-21","18:00:00",""
"7240933","8.1544","0.0002","16.2063","0.0003","17.1591","0.0004","90","","98.034","0.002","90","","2245.36","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 Co N4 O6 -","- C24 H22 Co N4 O6 -","- C96 H88 Co4 N16 O24 -","4","1","","Arici, Mürsel; Dikilitaş, Yakup Can; ERER, Hakan; Yesilel, Okan Zafer","Cobalt(II) and Zinc(II)-Coordination Polymers Constructed from Ether-Linked Tetracarboxylic Acid and Isomeric bis(imidazole) linkers: Luminescent Based Fe(III) Detection in Aqueous Media","CrystEngComm","2020","","","","","10.1039/D0CE00732C","","","0.71073","MoKα","","0.0595","0.0439","","","0.1069","0.1162","","","","","","1.036","","","","has coordinates","254569","2020-10-21","18:00:00",""
"7240934","8.2964","0.0005","17.7264","0.0011","16.8112","0.001","90","","98.546","0.002","90","","2444.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 N4 O7 Zn -","- C24 H24 N4 O7 Zn -","- C96 H96 N16 O28 Zn4 -","4","1","","Arici, Mürsel; Dikilitaş, Yakup Can; ERER, Hakan; Yesilel, Okan Zafer","Cobalt(II) and Zinc(II)-Coordination Polymers Constructed from Ether-Linked Tetracarboxylic Acid and Isomeric bis(imidazole) linkers: Luminescent Based Fe(III) Detection in Aqueous Media","CrystEngComm","2020","","","","","10.1039/D0CE00732C","","","0.71073","MoKα","","0.1293","0.1147","","","0.1962","0.2009","","","","","","1.393","","","","has coordinates,has disorder","254569","2020-10-21","18:00:00",""
"7240935","8.3011","0.0006","17.7049","0.0014","16.8818","0.0014","90","","99.892","0.002","90","","2444.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 Co N4 O7 -","- C24 H24 Co N4 O7 -","- C96 H96 Co4 N16 O28 -","4","1","","Arici, Mürsel; Dikilitaş, Yakup Can; ERER, Hakan; Yesilel, Okan Zafer","Cobalt(II) and Zinc(II)-Coordination Polymers Constructed from Ether-Linked Tetracarboxylic Acid and Isomeric bis(imidazole) linkers: Luminescent Based Fe(III) Detection in Aqueous Media","CrystEngComm","2020","","","","","10.1039/D0CE00732C","","","0.71073","MoKα","","0.122","0.0938","","","0.1802","0.1896","","","","","","1.229","","","","has coordinates,has disorder","254569","2020-10-21","18:00:00",""
"7240936","8.1281","0.0005","16.1955","0.0012","17.1781","0.0013","90","","96.562","0.002","90","","2246.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 N4 O6 Zn -","- C24 H22 N4 O6 Zn -","- C96 H88 N16 O24 Zn4 -","4","1","","Arici, Mürsel; Dikilitaş, Yakup Can; ERER, Hakan; Yesilel, Okan Zafer","Cobalt(II) and Zinc(II)-Coordination Polymers Constructed from Ether-Linked Tetracarboxylic Acid and Isomeric bis(imidazole) linkers: Luminescent Based Fe(III) Detection in Aqueous Media","CrystEngComm","2020","","","","","10.1039/D0CE00732C","","","0.71073","MoKα","","0.0605","0.0499","","","0.1134","0.1183","","","","","","1.123","","","","has coordinates","254569","2020-10-21","18:00:00",""
"7240958","28.454","0.002","4.9978","0.0005","9.7968","0.0012","90","","90.999","0.009","90","","1393","0.2","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","trans-(μ-D-leucinato)(μ-L-leucinato)copper(ii)","","- C12 H24 Cu N2 O4 -","- C12 H24 Cu N2 O4 -","- C48 H96 Cu4 N8 O16 -","4","1","","Vušak, Darko; Pejić, Jelena; Jurković, Mia; Szalontai, Gábor; Sabolovic, Jasmina","Coordination polymers of paramagnetic bis(leucinato)copper(II) diastereomers: experimental and computational study of the stereoisomerism and conformations","CrystEngComm","2020","","","","","10.1039/D0CE00585A","","","0.7","synchrotron","","0.1216","0.0723","","","0.1641","0.1934","","","","","","1.002","","","","has coordinates","254612","2020-10-21","18:00:00",""
"7240959","24.0615","0.0008","14.0088","0.0008","10.0527","0.0005","90","","100.996","0.004","90","","3326.3","0.3","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26 H36 Cl Fe N6 O4 Se2 -","- C26 H36 Cl Fe N6 O4 Se2 -","- C104 H144 Cl4 Fe4 N24 O16 Se8 -","4","0.5","","Basak, Tanmoy; Frontera, Antonio; Chattopadhyay, Shouvik","A theoretical insight into non-covalent supramolecular interactions in the solid state structures of two octahedral iron(III)complexes","CrystEngComm","2020","","","","","10.1039/D0CE00955E","","","0.71073","MoKα","","0.0767","0.0651","","","0.2095","0.2214","","","","","","1.156","","","","has coordinates","254613","2020-10-21","18:00:00",""
"7240960","9.866","0.009","10.754","0.009","13.6","0.012","96.95","0.02","108.18","0.02","109.27","0.02","1253.1","1.9","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H34 Cl Fe N4 O6 -","- C24 H34 Cl Fe N4 O6 -","- C48 H68 Cl2 Fe2 N8 O12 -","2","1","","Basak, Tanmoy; Frontera, Antonio; Chattopadhyay, Shouvik","A theoretical insight into non-covalent supramolecular interactions in the solid state structures of two octahedral iron(III)complexes","CrystEngComm","2020","","","","","10.1039/D0CE00955E","","","0.71073","MoKα","","0.1737","0.1045","","","0.2757","0.3419","","","","","","1.025","","","","has coordinates","254613","2020-10-21","18:00:00",""
"7240961","19.3334","0.001","25.6921","0.0012","15.8595","0.0013","90","","123.08","0.002","90","","6600.8","0.7","150","2","150","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C51.5 H67.5 Cu4 N6.5 O27.5 -","- C41 H41 Cu4 N3 O23 -","- C164 H164 Cu16 N12 O92 -","4","0.5","","Xu, Tingting; Fan, Lihui; Zhou, Ping; Jiang, Zhenzhen; Chen, Haonan; Lu, Huangyan; He, Yabing","Construction and selective gas adsorption properties of two heteroSBU MOFs based on unsymmetrical tetracarboxylate linkers","CrystEngComm","2020","","","","","10.1039/D0CE01014F","","","0.71073","MoKα","","0.0524","0.0482","","","0.203","0.2133","","","","","","1.077","","","","has coordinates","254637","2020-10-21","18:00:00",""
"7240962","26.5456","0.0016","44.633","0.003","26.5717","0.0016","90","","90","","90","","31482","3","150","2","150","2","","","","","","","","6","C m m m","-C 2 2","65","","","","- C108 H147 Cl2 Cu10 N11 O56 -","- C64 H24 Cl0.75 Cu10 O44 -","- C512 H192 Cl6 Cu80 O352 -","8","0.5","","Xu, Tingting; Fan, Lihui; Zhou, Ping; Jiang, Zhenzhen; Chen, Haonan; Lu, Huangyan; He, Yabing","Construction and selective gas adsorption properties of two heteroSBU MOFs based on unsymmetrical tetracarboxylate linkers","CrystEngComm","2020","","","","","10.1039/D0CE01014F","","","0.71073","MoKα","","0.1389","0.066","","","0.1571","0.1891","","","","","","1.096","","","","has coordinates,has disorder","254637","2020-10-21","18:00:00",""
"7240965","10.759","0.002","19.33","0.004","12.307","0.003","90","","100.26","0.03","90","","2518.6","1","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C14.5 H18.5 Mg N1.5 O6.5 S2 -","- C14.5 H18.5 Mg N1.5 O6.5 S2 -","- C58 H74 Mg4 N6 O26 S8 -","4","1","","Yao, Jun; Liu, Yan-E; Yang, Li-Bo; Dou, Ai-Na; Hou, Cheng-Fu; Xu, Quan-Qing; Huang, Bo; Zhu, Ai-Xin","Novel alkaline earth metal-organic frameworks with thiophene group for selective detection of Fe3+","CrystEngComm","2020","","","","","10.1039/D0CE00990C","","","0.71073","MoKα","","0.1944","0.1072","","","0.3159","0.3707","","","","","","1.064","","","","has coordinates,has disorder","254717","2020-10-21","18:00:00",""
"7240966","22.642","0.003","9.7853","0.0012","6.8909","0.0008","90","","90","","90","","1526.7","0.3","296","2","296","2","","","","","","","","6","P m c 21","P 2c -2","26","","","","- C13 H13 Ca N O5 S2 -","- C13 H13 Ca N O5 S2 -","- C52 H52 Ca4 N4 O20 S8 -","4","1","","Yao, Jun; Liu, Yan-E; Yang, Li-Bo; Dou, Ai-Na; Hou, Cheng-Fu; Xu, Quan-Qing; Huang, Bo; Zhu, Ai-Xin","Novel alkaline earth metal-organic frameworks with thiophene group for selective detection of Fe3+","CrystEngComm","2020","","","","","10.1039/D0CE00990C","","","0.71073","MoKα","","0.0412","0.0393","","","0.107","0.1092","","","","","","1.115","","","","has coordinates,has disorder","254717","2020-10-21","18:00:00",""
"7240967","7.3261","0.0015","22.72","0.005","9.936","0.002","90","","90","","90","","1653.8","0.6","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C13 H13 N O5 S2 Sr -","- C13 H13 N O5 S2 Sr -","- C52 H52 N4 O20 S8 Sr4 -","4","0.5","","Yao, Jun; Liu, Yan-E; Yang, Li-Bo; Dou, Ai-Na; Hou, Cheng-Fu; Xu, Quan-Qing; Huang, Bo; Zhu, Ai-Xin","Novel alkaline earth metal-organic frameworks with thiophene group for selective detection of Fe3+","CrystEngComm","2020","","","","","10.1039/D0CE00990C","","","0.71073","MoKα","","0.0742","0.066","","","0.1625","0.1679","","","","","","1.243","","","","has coordinates,has disorder","254717","2020-10-21","18:00:00",""
"7240968","7.1656","0.0003","10.9705","0.0004","17.5843","0.0006","90","","90","","90","","1382.31","0.09","120.01","0.1","120.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H13 N4 -","- C18 H13 N4 -","- C72 H52 N16 -","4","1","","Constantinides, Christos P.; Lawson, Daniel B.; Zissimou, Georgia; Berezin, Andrey; Mailman, Aaron M.; Manoli, Maria; Kourtellaris, Andreas; Leitus, Gregory; Clerac, Rodolphe; Tuononen, Heikki M.; Koutentis, Panayiotis Andreas","Polymorphism in a π Stacked Blatter Radical: Structures and Magnetic Properties of 3-(Phenyl)-1-(pyrid-2-yl)-1,4-dihydrobenzo[e][1,2,4]triazin-4-yl","CrystEngComm","2020","","","","","10.1039/D0CE00789G","","x-ray","1.54184","CuKα","","0.0464","0.0388","","","0.0943","0.1001","","","","","","1.04","","","","has coordinates","254718","2020-10-21","18:00:00",""
"7240969","19.7893","0.0009","3.7682","0.0001","19.7322","0.0008","90","","114.594","0.005","90","","1337.94","0.1","120","0.1","120","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 N4 -","- C18 H13 N4 -","- C72 H52 N16 -","4","1","","Constantinides, Christos P.; Lawson, Daniel B.; Zissimou, Georgia; Berezin, Andrey; Mailman, Aaron M.; Manoli, Maria; Kourtellaris, Andreas; Leitus, Gregory; Clerac, Rodolphe; Tuononen, Heikki M.; Koutentis, Panayiotis Andreas","Polymorphism in a π Stacked Blatter Radical: Structures and Magnetic Properties of 3-(Phenyl)-1-(pyrid-2-yl)-1,4-dihydrobenzo[e][1,2,4]triazin-4-yl","CrystEngComm","2020","","","","","10.1039/D0CE00789G","","x-ray","1.54184","CuKα","","0.0493","0.0418","","","0.1115","0.1196","","","","","","1.03","","","","has coordinates","254718","2020-10-21","18:00:00",""
"7240970","10.1657","0.0003","21.3974","0.0008","14.5383","0.0006","90","","100.455","0.004","90","","3109.9","0.2","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 Cd N5 O9 -","- C20 H15 Cd N5 O9 -","- C80 H60 Cd4 N20 O36 -","4","1","","Husain, Ahmad; Rani, Pooja; ., Alisha; Sharma, Ananay; Mondal, Tuhina; Saha, Shyamal Kumar; Bhasin, K.k; Trivedi, Manoj; Kumar, Girijesh","Luminescent CdII Metal‒Organic Frameworks based on Isoniazid using Mixed Ligand Approach","CrystEngComm","2020","","","","","10.1039/D0CE00895H","","x-ray","0.71073","MoKα","","0.1233","0.0771","","","0.2336","0.2725","","","","","","1.025","","","","has coordinates,has disorder","254719","2020-10-21","18:00:00",""
"7240971","7.0491","0.0002","19.8236","0.0005","8.8113","0.0002","90","","107.547","0.003","90","","1173.99","0.06","298","","298","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C20 H25 Cd N5 O7 -","- C20 H25 Cd N5 O7 -","- C40 H50 Cd2 N10 O14 -","2","0.5","","Husain, Ahmad; Rani, Pooja; ., Alisha; Sharma, Ananay; Mondal, Tuhina; Saha, Shyamal Kumar; Bhasin, K.k; Trivedi, Manoj; Kumar, Girijesh","Luminescent CdII Metal‒Organic Frameworks based on Isoniazid using Mixed Ligand Approach","CrystEngComm","2020","","","","","10.1039/D0CE00895H","","x-ray","0.71073","MoKα","","0.0277","0.0261","","","0.0694","0.0703","","","","","","1.091","","","","has coordinates","254719","2020-10-21","18:00:00",""
"7240972","6.8892","0.0002","13.9675","0.0003","24.3771","0.0006","90","","93.534","0.001","90","","2341.22","0.1","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H19 N5 O8 -","- C26 H19 N5 O8 -","- C104 H76 N20 O32 -","4","1","","Lemmerer, Andreas","All good things come in threes: first example of a trimorphic, ternary molecular salt complex","CrystEngComm","2020","","","","","10.1039/D0CE01023E","","x-ray","0.71073","MoKα","","0.0561","0.0401","","","0.1026","0.1112","","","","","","1.043","","","","has coordinates","254756","2020-10-21","18:00:00",""
"7240973","7.0834","0.0005","12.8271","0.0009","13.8555","0.0009","77.196","0.002","85.946","0.002","81.281","0.002","1212.51","0.14","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H19 N5 O8 -","- C26 H19 N5 O8 -","- C52 H38 N10 O16 -","2","1","","Lemmerer, Andreas","All good things come in threes: first example of a trimorphic, ternary molecular salt complex","CrystEngComm","2020","","","","","10.1039/D0CE01023E","","x-ray","0.71073","MoKα","","0.0555","0.0445","","","0.1079","0.1144","","","","","","1.014","","","","has coordinates","254756","2020-10-21","18:00:00",""
"7240974","7.8923","0.0011","18.908","0.003","15.969","0.002","90","","95.838","0.005","90","","2370.7","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 N5 O8 -","- C26 H19 N5 O8 -","- C104 H76 N20 O32 -","4","1","","Lemmerer, Andreas","All good things come in threes: first example of a trimorphic, ternary molecular salt complex","CrystEngComm","2020","","","","","10.1039/D0CE01023E","","x-ray","0.71073","MoKα","","0.0419","0.0377","","","0.0984","0.1022","","","","","","1.019","","","","has coordinates","254756","2020-10-21","18:00:00",""
"7240977","11.6926","0.0009","8.1121","0.0007","14.1796","0.001","90","","90","","90","","1344.96","0.18","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-amino-3-hydroxybenzoic acid","","- C7 H7 N O3 -","- C7 H7 N O3 -","- C56 H56 N8 O24 -","8","1","","Cruz-Cabeza, A. J.; Taylor, E.; Sugden, I. J.; Bowskill, D. H.; Wright, S. E.; Abdullahi, H.; Tulegenov, D.; Sadiq, G.; Davey, R. J.","Can solvated intermediates inform us about nucleation pathways? The case of β-pABA","CrystEngComm","2020","","","","","10.1039/D0CE00970A","","x-ray","0.71073","MoKα","","0.0808","0.0495","","","0.1292","0.1562","","","","","","0.928","","","","has coordinates","254819","2020-10-21","18:00:00",""
"7240978","9.7014","0.0012","14.9141","0.0012","6.9582","0.0009","90","","109.984","0.014","90","","946.1","0.2","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-amino-5-chloro-2-ethoxybenzoic acid","","- C9 H10 Cl N O3 -","- C9 H10 Cl N O3 -","- C36 H40 Cl4 N4 O12 -","4","1","","Cruz-Cabeza, A. J.; Taylor, E.; Sugden, I. J.; Bowskill, D. H.; Wright, S. E.; Abdullahi, H.; Tulegenov, D.; Sadiq, G.; Davey, R. J.","Can solvated intermediates inform us about nucleation pathways? The case of β-pABA","CrystEngComm","2020","","","","","10.1039/D0CE00970A","","x-ray","0.71073","MoKα","","0.1111","0.0634","","","0.1487","0.19","","","","","","0.958","","","","has coordinates","254819","2020-10-21","18:00:00",""
"7240979","6.5218","0.001","17.636","0.002","10.0639","0.0014","90","","107.754","0.014","90","","1102.4","0.3","150.02","0.1","150.02","0.1","","","","","","","","5","I 1 2/m 1","-I 2y","12","","4-amino-2,3,5,6-tetrafluorobenzoic acid acetone solvate","","- C10 H9 F4 N O3 -","- C10 H9 F4 N O3 -","- C40 H36 F16 N4 O12 -","4","0.5","","Cruz-Cabeza, A. J.; Taylor, E.; Sugden, I. J.; Bowskill, D. H.; Wright, S. E.; Abdullahi, H.; Tulegenov, D.; Sadiq, G.; Davey, R. J.","Can solvated intermediates inform us about nucleation pathways? The case of β-pABA","CrystEngComm","2020","","","","","10.1039/D0CE00970A","","x-ray","0.71073","MoKα","","0.091","0.0672","","","0.1822","0.203","","","","","","1.103","","","","has coordinates","288248","2023-12-12","12:55:28",""
"7240980","7.278","0.0006","7.533","0.0007","16.2004","0.0011","94.713","0.006","91.34","0.006","106.926","0.007","845.8","0.12","150","","150","","","","","","","","","5","P -1","-P 1","2","","4-amino-5-chloro-2-methoxybenzoic acid","","- C8 H8 Cl N O3 -","- C8 H8 Cl N O3 -","- C32 H32 Cl4 N4 O12 -","4","2","","Cruz-Cabeza, A. J.; Taylor, E.; Sugden, I. J.; Bowskill, D. H.; Wright, S. E.; Abdullahi, H.; Tulegenov, D.; Sadiq, G.; Davey, R. J.","Can solvated intermediates inform us about nucleation pathways? The case of β-pABA","CrystEngComm","2020","","","","","10.1039/D0CE00970A","","x-ray","0.71073","MoKα","","0.0969","0.0559","","","0.1405","0.1794","","","","","","0.935","","","","has coordinates","254819","2020-10-21","18:00:00",""
"7240981","3.7229","0.0003","11.1634","0.0008","16.9454","0.0011","90","","95.218","0.007","90","","701.34","0.09","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-amino-3-chlorobenzoic acid","","- C7 H6 Cl N O2 -","- C7 H6 Cl N O2 -","- C28 H24 Cl4 N4 O8 -","4","1","","Cruz-Cabeza, A. J.; Taylor, E.; Sugden, I. J.; Bowskill, D. H.; Wright, S. E.; Abdullahi, H.; Tulegenov, D.; Sadiq, G.; Davey, R. J.","Can solvated intermediates inform us about nucleation pathways? The case of β-pABA","CrystEngComm","2020","","","","","10.1039/D0CE00970A","","x-ray","0.71073","MoKα","","0.0607","0.0427","","","0.0912","0.1027","","","","","","1.059","","","","has coordinates","254819","2020-10-21","18:00:00",""
"7240982","8.1846","0.0007","13.5952","0.001","7.2087","0.0006","90","","109.909","0.01","90","","754.18","0.12","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-amino-2-methoxybenzoic acid","","- C8 H9 N O3 -","- C8 H9 N O3 -","- C32 H36 N4 O12 -","4","1","","Cruz-Cabeza, A. J.; Taylor, E.; Sugden, I. J.; Bowskill, D. H.; Wright, S. E.; Abdullahi, H.; Tulegenov, D.; Sadiq, G.; Davey, R. J.","Can solvated intermediates inform us about nucleation pathways? The case of β-pABA","CrystEngComm","2020","","","","","10.1039/D0CE00970A","","x-ray","0.71073","MoKα","","0.0909","0.0532","","","0.1132","0.1382","","","","","","1.03","","","","has coordinates","254819","2020-10-21","18:00:00",""
"7240983","14.7711","0.0008","3.7877","0.0002","24.3334","0.0012","90","","107.378","0.004","90","","1299.28","0.12","150","0.1","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-amino-2-fluorobenzoic acid","","- C7 H6 F N O2 -","- C7 H6 F N O2 -","- C56 H48 F8 N8 O16 -","8","1","","Cruz-Cabeza, A. J.; Taylor, E.; Sugden, I. J.; Bowskill, D. H.; Wright, S. E.; Abdullahi, H.; Tulegenov, D.; Sadiq, G.; Davey, R. J.","Can solvated intermediates inform us about nucleation pathways? The case of β-pABA","CrystEngComm","2020","","","","","10.1039/D0CE00970A","","","0.71073","MoKα","","0.0409","0.0366","","","0.106","0.1098","","","","","","1.081","","","","has coordinates","254819","2020-10-21","18:00:00",""
"7240984","22.4397","0.0009","20.5326","0.0007","11.9083","0.0004","90","","105.194","0.003","90","","5294.9","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-aminobenzoic acid dioxane solvate","","- C18 H22 N2 O6 -","- C18 H22 N2 O6 -","- C216 H264 N24 O72 -","12","3","","Cruz-Cabeza, A. J.; Taylor, E.; Sugden, I. J.; Bowskill, D. H.; Wright, S. E.; Abdullahi, H.; Tulegenov, D.; Sadiq, G.; Davey, R. J.","Can solvated intermediates inform us about nucleation pathways? The case of β-pABA","CrystEngComm","2020","","","","","10.1039/D0CE00970A","","","1.54178","CuKα","","0.1292","0.0801","","","0.2062","0.2386","","","","","","1.04","","","","has coordinates","254819","2020-10-21","18:00:00",""
"7240985","4.1957","0.0002","14.9867","0.0006","11.5145","0.0005","90","","97.566","0.004","90","","717.72","0.05","100.12","0.1","100.12","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-amino-2,3,5,6-tetrafluorobenzoic acid","","- C7 H3 F4 N O2 -","- C7 H3 F4 N O2 -","- C28 H12 F16 N4 O8 -","4","1","","Cruz-Cabeza, A. J.; Taylor, E.; Sugden, I. J.; Bowskill, D. H.; Wright, S. E.; Abdullahi, H.; Tulegenov, D.; Sadiq, G.; Davey, R. J.","Can solvated intermediates inform us about nucleation pathways? The case of β-pABA","CrystEngComm","2020","","","","","10.1039/D0CE00970A","","x-ray","0.71073","MoKα","","0.0332","0.0297","","","0.0844","0.0871","","","","","","1.092","","","","has coordinates","254819","2020-10-21","18:00:00",""
"7240986","7.0886","0.0002","18.8246","0.0005","12.8623","0.0004","90","","92.882","0.002","90","","1714.18","0.09","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-amino-2,3,5,6-tetrafluorobenzoic acid dioxane solvate","","- C15 H19 F4 N O6 -","- C15 H19 F4 N O6 -","- C60 H76 F16 N4 O24 -","4","1","","Cruz-Cabeza, A. J.; Taylor, E.; Sugden, I. J.; Bowskill, D. H.; Wright, S. E.; Abdullahi, H.; Tulegenov, D.; Sadiq, G.; Davey, R. J.","Can solvated intermediates inform us about nucleation pathways? The case of β-pABA","CrystEngComm","2020","","","","","10.1039/D0CE00970A","","","1.54178","CuKα","","0.0384","0.0306","","","0.0765","0.0811","","","","","","1.021","","","","has coordinates","254819","2020-10-21","18:00:00",""
"7240987","10.7033","0.0004","8.728","0.0003","16.1405","0.0007","90","","95.802","0.004","90","","1500.1","0.1","150.01","0.1","150.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-amino-3-methylbenzoic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","1","","Cruz-Cabeza, A. J.; Taylor, E.; Sugden, I. J.; Bowskill, D. H.; Wright, S. E.; Abdullahi, H.; Tulegenov, D.; Sadiq, G.; Davey, R. J.","Can solvated intermediates inform us about nucleation pathways? The case of β-pABA","CrystEngComm","2020","","","","","10.1039/D0CE00970A","","x-ray","0.71073","MoKα","","0.0748","0.0506","","","0.1278","0.1437","","","","","","1.035","","","","has coordinates","254819","2020-10-21","18:00:00",""
"7240988","7.7494","0.00014","8.12614","0.00016","22.7285","0.0004","90","","90","","90","","1431.28","0.05","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-amino-2-methylbenzoic acid","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C64 H72 N8 O16 -","8","2","","Cruz-Cabeza, A. J.; Taylor, E.; Sugden, I. J.; Bowskill, D. H.; Wright, S. E.; Abdullahi, H.; Tulegenov, D.; Sadiq, G.; Davey, R. J.","Can solvated intermediates inform us about nucleation pathways? The case of β-pABA","CrystEngComm","2020","","","","","10.1039/D0CE00970A","","x-ray","1.54184","CuKα","","0.0284","0.0277","","","0.0732","0.0737","","","","","","1.058","","","","has coordinates","254819","2020-10-21","18:00:00",""
"7240989","5.0395","0.0002","8.2374","0.0003","20.4205","0.0007","88.805","0.002","83.313","0.002","84.487","0.002","838","0.05","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","4-aminobenzoic acid acetone solvate","","- C17 H20 N2 O5 -","- C17 H20 N2 O5 -","- C34 H40 N4 O10 -","2","1","","Cruz-Cabeza, A. J.; Taylor, E.; Sugden, I. J.; Bowskill, D. H.; Wright, S. E.; Abdullahi, H.; Tulegenov, D.; Sadiq, G.; Davey, R. J.","Can solvated intermediates inform us about nucleation pathways? The case of β-pABA","CrystEngComm","2020","","","","","10.1039/D0CE00970A","","","1.54178","CuKα","","0.0411","0.0381","","","0.1079","0.1114","","","","","","1.067","","","","has coordinates","254819","2020-10-21","18:00:00",""
"7240990","18.7617","0.0008","21.4672","0.0009","20.4528","0.0008","90","","90.527","0.004","90","","8237.2","0.6","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","TBATPHAP","","- C76 H119.79 N20 O14 -","- C76 H119.788 N20 O14 -","- C304 H479.152 N80 O56 -","4","1","","Deekamwong, Krittanun; Usov, Pavel M.; Ohtsu, Hiroyoshi; Kawano, Masaki","Pyridinium modification of a hexaazaphenalene skeleton: structure and spectroelectrochemical analysis","CrystEngComm","2020","","","","","10.1039/D0CE00850H","","x-ray","0.71073","MoKα","","0.2122","0.0896","","","0.1741","0.2239","","","","","","1.015","","","","has coordinates,has disorder","254820","2020-10-21","18:00:00",""
"7240991","8.6426","0.0003","17.2337","0.0006","18.5797","0.0003","109.028","0.003","99.333","0.002","91.867","0.003","2570.64","0.14","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","Ethyl acetate TPHAP","","- C42 H53 F12 N9 O10 P2 -","- C42 H53 F12 N9 O10 P2 -","- C84 H106 F24 N18 O20 P4 -","2","1","","Deekamwong, Krittanun; Usov, Pavel M.; Ohtsu, Hiroyoshi; Kawano, Masaki","Pyridinium modification of a hexaazaphenalene skeleton: structure and spectroelectrochemical analysis","CrystEngComm","2020","","","","","10.1039/D0CE00850H","","x-ray","1.54184","CuKα","","0.1012","0.0663","","","0.1747","0.2018","","","","","","1.025","","","","has coordinates,has disorder","254820","2020-10-21","18:00:00",""
"7240992","17.1313","0.0006","17.1313","0.0006","20.8643","0.0006","90","","90","","90","","6123.3","0.4","123","2","123","2","","","","","","","","6","I 4/m","-I 4","87","","Methyl TPHAP","","- C25 H21 F12 N9 O0.5 P2 -","- C25 H21 F12 N9 O0.5 P2 -","- C200 H168 F96 N72 O4 P16 -","8","0.5","","Deekamwong, Krittanun; Usov, Pavel M.; Ohtsu, Hiroyoshi; Kawano, Masaki","Pyridinium modification of a hexaazaphenalene skeleton: structure and spectroelectrochemical analysis","CrystEngComm","2020","","","","","10.1039/D0CE00850H","","x-ray","0.71073","MoKα","","0.169","0.1137","","","0.3326","0.3747","","","","","","1.314","","","","has coordinates,has disorder","254820","2020-10-21","18:00:00",""
"7240993","7.8313","0.0004","24.965","0.0013","26.4024","0.0013","75.376","0.004","84.342","0.004","88.14","0.004","4970.2","0.4","123.15","","123.15","","","","","","","","","5","P -1","-P 1","2","","Methyl p-toluate TPHAP","","- C49 H39 Br2 N9 O11.9 -","- C49 H39 Br2 N9 O11.9035 -","- C196 H156 Br8 N36 O47.614 -","4","2","","Deekamwong, Krittanun; Usov, Pavel M.; Ohtsu, Hiroyoshi; Kawano, Masaki","Pyridinium modification of a hexaazaphenalene skeleton: structure and spectroelectrochemical analysis","CrystEngComm","2020","","","","","10.1039/D0CE00850H","","x-ray","0.71073","MoKα","","0.2463","0.1177","","","0.2609","0.3372","","","","","","1.034","","","","has coordinates,has disorder","254820","2020-10-21","18:00:00",""
"7240994","4.0787","0.0003","9.0943","0.0006","10.9148","0.0007","82.327","0.006","80.162","0.006","77.648","0.006","387.69","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H12 Cu2 I2 N12 -","- C6 H12 Cu2 I2 N12 -","- C6 H12 Cu2 I2 N12 -","1","0.5","","Zhang, Yu; Yang, Qing Feng; Li, Xiaoping; Miao, Chengxia; Hou, Qin; Ai, Shiyun","One Cu(I)-I coordination polymer fluorescent chemosensor with amino-rich sites for nitro aromatic compounds (NACs) detection in water","CrystEngComm","2020","","","","","10.1039/D0CE00835D","","x-ray","0.71073","MoKα","","0.0299","0.0259","","","0.0492","0.0521","","","","","","1.044","","","","has coordinates","254821","2020-10-21","18:00:00",""
"7240995","15.3649","0.0005","10.2088","0.0004","23.5463","0.0008","90","","106.752","0.002","90","","3536.7","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H34 Cl N5 O9 S -","- C34 H34 Cl N5 O9 S -","- C136 H136 Cl4 N20 O36 S4 -","4","1","","P. George, Christy; Thorat, Sridhar Hanamant; Shaligram, Parth S.; Suresha, P. R.; Gonnade, Rajesh G.","Drug-Drug Cocrystals of Anticancer Drugs Erlotinib-Furosemide and Gefitinib-Mefenamic acid for Alternative Multi-Drug Treatment","CrystEngComm","2020","","","","","10.1039/D0CE00353K","","","0.71073","MoKα","","0.0605","0.0421","","","0.1051","0.1154","","","","","","1.031","","","","has coordinates","254822","2020-10-21","18:00:00",""
"7240996","10.9083","0.0007","7.6817","0.0005","41.588","0.003","90","","96.132","0.004","90","","3464.9","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Gefitinib-mefenamic acid cocrystal","","- C37 H41 Cl F N5 O6 -","- C37 H41 Cl F N5 O6 -","- C148 H164 Cl4 F4 N20 O24 -","4","1","","P. George, Christy; Thorat, Sridhar Hanamant; Shaligram, Parth S.; Suresha, P. R.; Gonnade, Rajesh G.","Drug-Drug Cocrystals of Anticancer Drugs Erlotinib-Furosemide and Gefitinib-Mefenamic acid for Alternative Multi-Drug Treatment","CrystEngComm","2020","","","","","10.1039/D0CE00353K","","","0.71073","MoKα","","0.1272","0.0908","","","0.1998","0.2177","","","","","","1.09","","","","has coordinates","254822","2020-10-21","18:00:00",""
"7240997","7.4156","0.0003","28.9261","0.0013","11.9542","0.0005","90","","98.256","0.004","90","","2537.65","0.19","122","30","122","30","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H9 F8 I4 N O -","- C23 H9 F8 I4 N O -","- C92 H36 F32 I16 N4 O4 -","4","0.5","","Wu, Wen Xin; Wang, Hui; Jin, Wei Jun","Locked guest PAHs by soft‒cavity‒type host assembled via halogen bond to form luminescent cocrystals","CrystEngComm","2020","","","","","10.1039/D0CE00965B","","x-ray","0.71073","MoKα","","0.0213","0.0192","","","0.0404","0.0415","","","","","","1.0517","","","","has coordinates","254824","2020-10-21","18:00:00",""
"7240998","11.5999","0.0007","12.8903","0.0008","17.2206","0.001","69.005","0.005","75.36","0.005","84.308","0.005","2325.8","0.3","271","2","271","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H28 F8 I4 N2 O2 -","- C50 H28 F8 I4 N2 O2 -","- C100 H56 F16 I8 N4 O4 -","2","1","","Wu, Wen Xin; Wang, Hui; Jin, Wei Jun","Locked guest PAHs by soft‒cavity‒type host assembled via halogen bond to form luminescent cocrystals","CrystEngComm","2020","","","","","10.1039/D0CE00965B","","x-ray","0.71073","MoKα","","0.0664","0.0386","","","0.0751","0.0903","","","","","","1.026","","","","has coordinates","254824","2020-10-21","18:00:00",""
"7240999","24.648","0.001","15.7428","0.0005","19.4112","0.0005","90","","121.721","0.002","90","","6406.9","0.4","100","0.19","100","0.19","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C69 H39 F12 I6 N3 O3 -","- C69 H39 F12 I6 N3 O3 -","- C276 H156 F48 I24 N12 O12 -","4","1","","Wu, Wen Xin; Wang, Hui; Jin, Wei Jun","Locked guest PAHs by soft‒cavity‒type host assembled via halogen bond to form luminescent cocrystals","CrystEngComm","2020","","","","","10.1039/D0CE00965B","","x-ray","0.71073","MoKα","","0.0644","0.0496","","","0.1159","0.1309","","","","","","1.05","","","","has coordinates","254824","2020-10-21","18:00:00",""
"7241000","18.9947","0.0005","16.3335","0.0003","21.992","0.0005","90","","111.263","0.003","90","","6358.5","0.3","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C71 H39 F12 I6 N3 O3 -","- C71 H39 F12 I6 N3 O3 -","- C284 H156 F48 I24 N12 O12 -","4","1","","Wu, Wen Xin; Wang, Hui; Jin, Wei Jun","Locked guest PAHs by soft‒cavity‒type host assembled via halogen bond to form luminescent cocrystals","CrystEngComm","2020","","","","","10.1039/D0CE00965B","","x-ray","0.71073","MoKα","","0.0449","0.0322","","","0.066","0.0735","","","","","","1.131","","","","has coordinates","254824","2020-10-21","18:00:00",""
"7241001","14.147","0.0005","16.6061","0.0004","18.9558","0.0005","90","","90","","90","","4453.2","0.2","150","0.1","150","0.1","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C50 H28 F8 I4 N2 O2 -","- C50 H28 F8 I4 N2 O2 -","- C200 H112 F32 I16 N8 O8 -","4","1","","Wu, Wen Xin; Wang, Hui; Jin, Wei Jun","Locked guest PAHs by soft‒cavity‒type host assembled via halogen bond to form luminescent cocrystals","CrystEngComm","2020","","","","","10.1039/D0CE00965B","","x-ray","0.71073","MoKα","","0.0504","0.0378","","","0.0599","0.0655","","","","","","1.0358","","","","has coordinates","254824","2020-10-21","18:00:00",""
"7241002","17.8703","0.0005","34.1971","0.0007","17.377","0.0004","90","","114.181","0.003","90","","9687.5","0.5","292.49","0.1","292.49","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C104 H60 F16 I8 N4 O4 -","- C104 H60 F16 I8 N4 O4 -","- C416 H240 F64 I32 N16 O16 -","4","1","","Wu, Wen Xin; Wang, Hui; Jin, Wei Jun","Locked guest PAHs by soft‒cavity‒type host assembled via halogen bond to form luminescent cocrystals","CrystEngComm","2020","","","","","10.1039/D0CE00965B","","x-ray","1.54184","CuKα","","0.0964","0.0637","","","0.1593","0.1927","","","","","","1.029","","","","has coordinates","254824","2020-10-21","18:00:00",""
"7241006","10.6078","0.0005","10.7273","0.0004","31.015","0.0011","90","","90","","90","","3529.3","0.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H16 Cl2 N2 O3 -","- C18 H16 Cl2 N2 O3 -","- C144 H128 Cl16 N16 O24 -","8","1","","Bieszczad, Bartosz; Pawlędzio, Sylwia; Polak, Katarzyna; Antonowicz, Jerzy; Mieczkowski, Adam; Trzybiński, Damian","Influence of halogen size on the supramolecular and energy landscape of the THF solvates of the halogen derivatives of dianthranilide","CrystEngComm","2020","","","","","10.1039/D0CE00525H","","x-ray","1.54184","CuKα","","0.0755","0.0617","","","0.1646","0.1764","","","","","","1.05","","","","has coordinates","254849","2020-10-21","18:00:00",""
"7241007","20.3062","0.0006","10.4583","0.0003","11.1201","0.0004","90","","102.196","0.003","90","","2308.26","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 I2 N2 O4 -","- C22 H24 I2 N2 O4 -","- C88 H96 I8 N8 O16 -","4","1","","Bieszczad, Bartosz; Pawlędzio, Sylwia; Polak, Katarzyna; Antonowicz, Jerzy; Mieczkowski, Adam; Trzybiński, Damian","Influence of halogen size on the supramolecular and energy landscape of the THF solvates of the halogen derivatives of dianthranilide","CrystEngComm","2020","","","","","10.1039/D0CE00525H","","x-ray","1.54184","CuKα","","0.0557","0.048","","","0.1271","0.1363","","","","","","1.041","","","","has coordinates","254849","2020-10-21","18:00:00",""
"7241008","10.6612","0.0003","20.509","0.0005","14.3063","0.0003","90","","90.046","0.002","90","","3128.08","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 F2 N2 O3 -","- C18 H16 F2 N2 O3 -","- C144 H128 F16 N16 O24 -","8","2","","Bieszczad, Bartosz; Pawlędzio, Sylwia; Polak, Katarzyna; Antonowicz, Jerzy; Mieczkowski, Adam; Trzybiński, Damian","Influence of halogen size on the supramolecular and energy landscape of the THF solvates of the halogen derivatives of dianthranilide","CrystEngComm","2020","","","","","10.1039/D0CE00525H","","x-ray","1.54184","CuKα","","0.07","0.0518","","","0.1452","0.1642","","","","","","1.052","","","","has coordinates","254849","2020-10-21","18:00:00",""
"7241009","10.77295","0.00012","10.79851","0.00009","31.7818","0.0004","90","","90","","90","","3697.23","0.07","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H16 Br2 N2 O3 -","- C18 H16 Br2 N2 O3 -","- C144 H128 Br16 N16 O24 -","8","1","","Bieszczad, Bartosz; Pawlędzio, Sylwia; Polak, Katarzyna; Antonowicz, Jerzy; Mieczkowski, Adam; Trzybiński, Damian","Influence of halogen size on the supramolecular and energy landscape of the THF solvates of the halogen derivatives of dianthranilide","CrystEngComm","2020","","","","","10.1039/D0CE00525H","","x-ray","1.54184","CuKα","","0.0613","0.0576","","","0.1538","0.1575","","","","","","1.079","","","","has coordinates,has disorder","254849","2020-10-21","18:00:00",""
"7241016","13.8359","0.0011","18.7145","0.0015","19.6641","0.0015","104.991","0.002","99.589","0.003","104.672","0.002","4608.9","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H127 N16 O17 P S -","- C84 H127 N16 O17 P S -","- C168 H254 N32 O34 P2 S2 -","2","1","","Dey, Sandeep Kumar; Kataria, Archana; Pereira, Sybil; Harmalkar, Sarvesh S.; Mhaldar, Shashank; Gobre, Vivekanand V.; Janiak, Christoph","Selective encapsulation and extraction of hydrogenphosphate by a hydrogen bond donor tripodal receptor","CrystEngComm","2020","","","","","10.1039/D0CE00834F","","","0.71073","MoKα","","0.2072","0.1055","","","0.2184","0.268","","","","","","1.014","","","","has coordinates","255197","2020-10-21","18:00:00",""
"7241017","10.3677","0.0003","11.6016","0.0003","23.4291","0.0006","90","","90","","90","","2818.1","0.13","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H33 N7 O4 -","- C27 H33 N7 O4 -","- C108 H132 N28 O16 -","4","1","","Dey, Sandeep Kumar; Kataria, Archana; Pereira, Sybil; Harmalkar, Sarvesh S.; Mhaldar, Shashank; Gobre, Vivekanand V.; Janiak, Christoph","Selective encapsulation and extraction of hydrogenphosphate by a hydrogen bond donor tripodal receptor","CrystEngComm","2020","","","","","10.1039/D0CE00834F","","","0.71073","MoKα","","0.104","0.0628","","","0.1756","0.2078","","","","","","1.021","","","","has coordinates","255197","2020-10-21","18:00:00",""
"7241018","9.4857","0.0004","17.0599","0.0007","18.6326","0.0008","64.282","0.002","80.544","0.002","87.541","0.002","2678.3","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H57 N13 O14 S2 -","- C52 H57 N13 O14 S2 -","- C104 H114 N26 O28 S4 -","2","1","","Dey, Sandeep Kumar; Kataria, Archana; Pereira, Sybil; Harmalkar, Sarvesh S.; Mhaldar, Shashank; Gobre, Vivekanand V.; Janiak, Christoph","Selective encapsulation and extraction of hydrogenphosphate by a hydrogen bond donor tripodal receptor","CrystEngComm","2020","","","","","10.1039/D0CE00834F","","","0.71073","MoKα","","0.0561","0.0502","","","0.1289","0.1355","","","","","","1.032","","","","has coordinates,has disorder","255197","2020-10-21","18:00:00",""
"7241019","9.951","0.0011","10.319","0.0012","12.614","0.0013","68.753","0.004","73.032","0.005","83.923","0.005","1154.7","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H14 Cd3 N2 O18 -","- C34 H14 Cd3 N2 O18 -","- C34 H14 Cd3 N2 O18 -","1","0.5","","Guo, Runzhong; Dong, Hao; Li, Peiyuan; Sun, Yi; Wang, Haiying; Liu, Hui-Yan","A multifuctional Cd(II)-based metal−organic framework with amide groups exhibiting luminescent sensing towards multiple substances","CrystEngComm","2020","","","","","10.1039/D0CE01061H","","","0.71073","MoKα","","0.0649","0.0581","","","0.1811","0.1888","","","","","","1.221","","","","has coordinates","255228","2020-10-21","18:00:00",""
"7241020","6.6912","0.0009","20.226","0.003","10.1274","0.0013","90","","90","","90","","1370.6","0.3","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C13 H8 N2 O S4 -","- C13 H8 N2 O S4 -","- C52 H32 N8 O4 S16 -","4","0.5","","Bechu, Damien; Petre, Alexandru Mihai; Hosseini, Mir Wais; Baudron, Stéphane","Heterometallic coordination polymers based on homo- and heteroleptic Au(III) dithiolene complexes","CrystEngComm","2020","","","","","10.1039/D0CE01090A","","","0.71073","MoKα","","0.0495","0.0363","","","0.0918","0.099","","","","","","1.043","","","","has coordinates","255243","2020-10-21","18:00:00",""
"7241021","9.6303","0.0005","12.2272","0.0006","17.1845","0.0008","90","","96.342","0.002","90","","2011.12","0.17","173","2","173","2","","","","","","","","6","P 1 2/m 1","-P 2y","10","","","","- C52 H32 Au2 Co N8 S10 -","- C52 H32 Au2 Co N8 S10 -","- C52 H32 Au2 Co N8 S10 -","1","0.25","","Bechu, Damien; Petre, Alexandru Mihai; Hosseini, Mir Wais; Baudron, Stéphane","Heterometallic coordination polymers based on homo- and heteroleptic Au(III) dithiolene complexes","CrystEngComm","2020","","","","","10.1039/D0CE01090A","","","0.71073","MoKα","","0.092","0.0782","","","0.1918","0.1999","","","","","","1.157","","","","has coordinates","255243","2020-10-21","18:00:00",""
"7241022","9.2529","0.0004","11.257","0.0005","17.247","0.0007","93.549","0.002","105.442","0.002","92.552","0.002","1724.8","0.13","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H34 Au2 Cl6 Mn N8 S10 -","- C54 H34 Au2 Cl6 Mn N8 S10 -","- C54 H34 Au2 Cl6 Mn N8 S10 -","1","0.5","","Bechu, Damien; Petre, Alexandru Mihai; Hosseini, Mir Wais; Baudron, Stéphane","Heterometallic coordination polymers based on homo- and heteroleptic Au(III) dithiolene complexes","CrystEngComm","2020","","","","","10.1039/D0CE01090A","","","0.71073","MoKα","","0.0315","0.0268","","","0.0658","0.0681","","","","","","1.044","","","","has coordinates","255243","2020-10-21","18:00:00",""
"7241023","26.2783","0.0008","7.3186","0.0002","25.1423","0.0007","90","","99.663","0.001","90","","4766.8","0.2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H36 Au N4 P S8 -","- C48 H36 Au N4 P S8 -","- C192 H144 Au4 N16 P4 S32 -","4","0.5","","Bechu, Damien; Petre, Alexandru Mihai; Hosseini, Mir Wais; Baudron, Stéphane","Heterometallic coordination polymers based on homo- and heteroleptic Au(III) dithiolene complexes","CrystEngComm","2020","","","","","10.1039/D0CE01090A","","","0.71073","MoKα","","0.0348","0.0251","","","0.057","0.0605","","","","","","1.027","","","","has coordinates","255243","2020-10-21","18:00:00",""
"7241024","17.0312","0.0009","10.1352","0.0009","26.7022","0.0015","90","","98.85","0.003","90","","4554.3","0.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H16 Au N3 S4 -","- C25 H16 Au N3 S4 -","- C200 H128 Au8 N24 S32 -","8","1","","Bechu, Damien; Petre, Alexandru Mihai; Hosseini, Mir Wais; Baudron, Stéphane","Heterometallic coordination polymers based on homo- and heteroleptic Au(III) dithiolene complexes","CrystEngComm","2020","","","","","10.1039/D0CE01090A","","","0.71073","MoKα","","0.0354","0.0293","","","0.067","0.0688","","","","","","1.088","","","","has coordinates","255243","2020-10-21","18:00:00",""
"7241025","17.2166","0.0007","24.801","0.0008","25.0137","0.0012","90","","90","","90","","10680.6","0.8","173","2","173","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C26 H16 Au Co N7 S8 -","- C26 H16 Au Co N7 S8 -","- C208 H128 Au8 Co8 N56 S64 -","8","0.5","","Bechu, Damien; Petre, Alexandru Mihai; Hosseini, Mir Wais; Baudron, Stéphane","Heterometallic coordination polymers based on homo- and heteroleptic Au(III) dithiolene complexes","CrystEngComm","2020","","","","","10.1039/D0CE01090A","","","0.71073","MoKα","","0.1599","0.0876","","","0.1982","0.2338","","","","","","1.035","","","","has coordinates","255243","2020-10-21","18:00:00",""
"7241026","20.1754","0.0012","7.5445","0.0004","37.558","0.002","90","","90","","90","","5716.8","0.5","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C54 H32 Au2 Cd2 N10 S12 -","- C54 H32 Au2 Cd2 N10 S12 -","- C216 H128 Au8 Cd8 N40 S48 -","4","0.5","","Bechu, Damien; Petre, Alexandru Mihai; Hosseini, Mir Wais; Baudron, Stéphane","Heterometallic coordination polymers based on homo- and heteroleptic Au(III) dithiolene complexes","CrystEngComm","2020","","","","","10.1039/D0CE01090A","","","0.71073","MoKα","","0.0416","0.0278","","","0.0504","0.0539","","","","","","1.068","","","","has coordinates","255243","2020-10-21","18:00:00",""
"7241027","14.0705","0.0002","14.0407","0.0002","13.1353","0.0002","90","","92.207","0.001","90","","2593.08","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H46 Br2 N2 O2 -","- C24 H46 Br2 N2 O2 -","- C96 H184 Br8 N8 O8 -","4","1","","Ling, Irene; Sobolev, Alexandre N.; Loh, Sze Le; Turner, Gemma F.; Moggach, Stephen A.","Structural investigation of bromide complexation with bipodal, tripodal and tetrapodal cationic molecules","CrystEngComm","2020","","","","","10.1039/D0CE00747A","","","1.54178","CuKα","","0.0561","0.0449","","","0.1063","0.1157","","","","","","1","","","","has coordinates,has disorder","255244","2020-10-21","18:00:00",""
"7241028","6.6197","0.0003","12.7852","0.0006","13.6584","0.0006","93.527","0.004","96.309","0.004","101.198","0.004","1123.02","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H38 Br2 N2 O2 -","- C20 H38 Br2 N2 O2 -","- C40 H76 Br4 N4 O4 -","2","1","","Ling, Irene; Sobolev, Alexandre N.; Loh, Sze Le; Turner, Gemma F.; Moggach, Stephen A.","Structural investigation of bromide complexation with bipodal, tripodal and tetrapodal cationic molecules","CrystEngComm","2020","","","","","10.1039/D0CE00747A","","","0.71073","MoKα","","0.0641","0.0404","","","0.0817","0.0944","","","","","","1","","","","has coordinates","255244","2020-10-21","18:00:00",""
"7241029","28.3447","0.0004","8.4739","0.0001","18.2377","0.0003","90","","128.822","0.001","90","","3412.85","0.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H42 Br4 N8 O4 -","- C26 H34 Br4 N8 O4 -","- C104 H136 Br16 N32 O16 -","4","0.5","","Ling, Irene; Sobolev, Alexandre N.; Loh, Sze Le; Turner, Gemma F.; Moggach, Stephen A.","Structural investigation of bromide complexation with bipodal, tripodal and tetrapodal cationic molecules","CrystEngComm","2020","","","","","10.1039/D0CE00747A","","","0.71073","MoKα","","0.0488","0.0347","","","0.0843","0.0913","","","","","","1.002","","","","has coordinates,has disorder","255244","2020-10-21","18:00:00",""
"7241030","7.7789","0.0002","12.379","0.0003","13.5879","0.0004","100.65","0.002","106.613","0.002","99.807","0.002","1197.13","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H90 Br4 N4 O6 -","- C42 H90 Br4 N4 O6 -","- C42 H90 Br4 N4 O6 -","1","0.5","","Ling, Irene; Sobolev, Alexandre N.; Loh, Sze Le; Turner, Gemma F.; Moggach, Stephen A.","Structural investigation of bromide complexation with bipodal, tripodal and tetrapodal cationic molecules","CrystEngComm","2020","","","","","10.1039/D0CE00747A","","","0.71073","MoKα","","0.0456","0.0314","","","0.0696","0.0762","","","","","","1.001","","","","has coordinates","255244","2020-10-21","18:00:00",""
"7241031","12.0913","0.0009","12.8187","0.0012","16.5005","0.0012","78.262","0.007","69.986","0.007","68.543","0.008","2227.5","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H70 Br4 N4 O8 -","- C30 H62 Br4 N4 O8 -","- C60 H124 Br8 N8 O16 -","2","1","","Ling, Irene; Sobolev, Alexandre N.; Loh, Sze Le; Turner, Gemma F.; Moggach, Stephen A.","Structural investigation of bromide complexation with bipodal, tripodal and tetrapodal cationic molecules","CrystEngComm","2020","","","","","10.1039/D0CE00747A","","","1.54178","CuKα","","0.1096","0.0712","","","0.1643","0.1879","","","","","","1.002","","","","has coordinates,has disorder","255244","2020-10-21","18:00:00",""
"7241032","29.7221","0.0003","14.609","0.0001","29.2449","0.0003","90","","92.031","0.001","90","","12690.5","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H50 Br3 N3 O7 -","- C24 H45 Br3 N3 O7 -","- C384 H720 Br48 N48 O112 -","16","2","","Ling, Irene; Sobolev, Alexandre N.; Loh, Sze Le; Turner, Gemma F.; Moggach, Stephen A.","Structural investigation of bromide complexation with bipodal, tripodal and tetrapodal cationic molecules","CrystEngComm","2020","","","","","10.1039/D0CE00747A","","","1.54178","CuKα","","0.0626","0.056","","","0.1806","0.1924","","","","","","1.002","","","","has coordinates,has disorder","255244","2020-10-21","18:00:00",""
"7241033","16.7042","0.0001","25.8169","0.0001","18.0462","0.0001","90","","105.02","","90","","7516.55","0.07","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H64 Br3 N3 O5 -","- C27 H59 Br3 N3 O5 -","- C216 H472 Br24 N24 O40 -","8","2","","Ling, Irene; Sobolev, Alexandre N.; Loh, Sze Le; Turner, Gemma F.; Moggach, Stephen A.","Structural investigation of bromide complexation with bipodal, tripodal and tetrapodal cationic molecules","CrystEngComm","2020","","","","","10.1039/D0CE00747A","","","1.54178","CuKα","","0.1255","0.1152","","","0.2551","0.2613","","","","","","1.659","","","","has coordinates,has disorder","255244","2020-10-21","18:00:00",""
"7241034","21.2861","0.0005","13.4278","0.0003","12.7119","0.0003","90","","115.582","0.002","90","","3277.2","0.14","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C27 H56 Br3 N3 O4 -","- C27 H56 Br3 N3 O4 -","- C108 H224 Br12 N12 O16 -","4","1","","Ling, Irene; Sobolev, Alexandre N.; Loh, Sze Le; Turner, Gemma F.; Moggach, Stephen A.","Structural investigation of bromide complexation with bipodal, tripodal and tetrapodal cationic molecules","CrystEngComm","2020","","","","","10.1039/D0CE00747A","","","0.71073","MoKα","","0.0275","0.024","","","0.0536","0.0551","","","","","","1.001","","","","has coordinates","255244","2020-10-21","18:00:00",""
"7241035","12.9316","0.0001","13.8145","0.0001","21.706","0.0002","90","","90.973","0.001","90","","3877.08","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H68 Br3 N3 O4 -","- C33 H64 Br3 N3 O4 -","- C132 H256 Br12 N12 O16 -","4","1","","Ling, Irene; Sobolev, Alexandre N.; Loh, Sze Le; Turner, Gemma F.; Moggach, Stephen A.","Structural investigation of bromide complexation with bipodal, tripodal and tetrapodal cationic molecules","CrystEngComm","2020","","","","","10.1039/D0CE00747A","","","1.54178","CuKα","","0.0691","0.0599","","","0.1531","0.1633","","","","","","1.002","","","","has coordinates,has disorder","255244","2020-10-21","18:00:00",""
"7241036","9.6181","0.0003","13.5685","0.0004","15.9089","0.0004","80.8233","0.0013","87.5873","0.0013","81.6607","0.0013","2027.54","0.1","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C59 H38 O5 -","- C59 H38 O5 -","- C118 H76 O10 -","2","1","","Yang, Lu; Qin, Lan; Dou, Yong; Zhang, Daopeng; Zhou, Zhen; Wang, Suna","High conversion and selectivity of photodimerization under air conditions by supramolecular oxidation restraint within a metallocage-like nanoreactor","CrystEngComm","2020","","","","","10.1039/D0CE00678E","","","0.71073","MoKα","","0.074","0.0517","","","0.1449","0.1545","","","","","","1.089","","","","has coordinates","255245","2020-10-21","18:00:00",""
"7241037","7.8456","0.0003","8.3213","0.0003","9.5951","0.0003","93.0871","0.001","113.677","0.001","114.38","0.0009","504.1","0.03","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H20 O2 -","- C30 H20 O2 -","- C30 H20 O2 -","1","0.5","","Yang, Lu; Qin, Lan; Dou, Yong; Zhang, Daopeng; Zhou, Zhen; Wang, Suna","High conversion and selectivity of photodimerization under air conditions by supramolecular oxidation restraint within a metallocage-like nanoreactor","CrystEngComm","2020","","","","","10.1039/D0CE00678E","","","0.71073","MoKα","","0.0398","0.0387","","","0.1018","0.1026","","","","","","1.038","","","","has coordinates","255245","2020-10-21","18:00:00",""
"7241049","17.4287","0.00048","15.29046","0.00051","13.21952","0.0005","90","","90","","90","","3522.9","0.2","","","298","","","","","","","","","4","P n n a","-P 2a 2bc","52","","","CAU-50","- C36 Fe3 O12 Sc2 -","- C36 Fe3 O12 Sc2 -","- C144 Fe12 O48 Sc8 -","4","0.5","","Benecke, Jannick; Svensson Grape, Erik; Engesser, Tobias; Inge, Andrew Ken; Reinsch, Helge","Observation of Three Different Linker Conformers in a Scandium Ferrocenedicarboxylate Coordination Polymer","CrystEngComm","2020","","","","","10.1039/D0CE00986E","","","1.5406","","","","","","","","","","","","","","","","","","has coordinates","255279","2020-10-21","18:00:00",""
"7241050","13.338","0.003","23.519","0.005","19.056","0.004","90","","90","","90","","5978","2","113.15","","113.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C12 H6 N3 O5 Zn -","- C12 H6 N3 O5 Zn -","- C96 H48 N24 O40 Zn8 -","8","1","","Liu, Xiao-Ting; Chen, Si-Si; Li, Si-Miao; Nie, Hong-Xiang; Feng, Yao-Qing; Fan, Yi-Ning; Yu, Mei-Hui; Chang, Ze; Bu, Xian-He","Structural tuning of Zn(ii)-MOFs based on pyrazole functionalized carboxylic acid ligands for organic dye adsorption","CrystEngComm","2020","","","","","10.1039/D0CE00798F","","","0.71073","MoKα","","0.0831","0.0724","","","0.2159","0.229","","","","","","1.1","","","","has coordinates","255280","2020-10-21","18:00:00",""
"7241051","20.5369","0.0012","20.5369","0.0012","34.603","0.002","90","","90","","120","","12639","1.3","273","2","273.15","","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C22 H11 N5 O7 Zn2 -","- C22 H11 N5 O7 Zn2 -","- C132 H66 N30 O42 Zn12 -","6","1","","Liu, Xiao-Ting; Chen, Si-Si; Li, Si-Miao; Nie, Hong-Xiang; Feng, Yao-Qing; Fan, Yi-Ning; Yu, Mei-Hui; Chang, Ze; Bu, Xian-He","Structural tuning of Zn(ii)-MOFs based on pyrazole functionalized carboxylic acid ligands for organic dye adsorption","CrystEngComm","2020","","","","","10.1039/D0CE00798F","","","1.54178","CuKα","","0.1171","0.0616","","","0.1523","0.1832","","","","","","0.86","","","","has coordinates","255280","2020-10-21","18:00:00",""
"7241069","18.4741","0.0012","10.7522","0.0012","19.8687","0.0014","90","","110.119","0.008","90","","3705.8","0.6","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C56 H66 Eu N8 O28 S2 -","- C56 H66 Eu N8 O28 S2 -","- C112 H132 Eu2 N16 O56 S4 -","2","0.5","","Coban, Mustafa Burak; Yahsi, Yasemin; Gungor, Elif; Kuru Alpaslan, Fatma; Kara Subasat, Hulya","Eu@PMMA and Sm@PMMA nanofibers prepared by electrospinning: structural, morphology, photoluminescence and magnetic properties","CrystEngComm","2020","","","","","10.1039/D0CE00507J","","x-ray","0.71073","MoKα","","0.1079","0.0606","","","0.1104","0.1283","","","","","","0.95","","","","has coordinates","255332","2020-10-21","18:00:00",""
"7241070","9.0648","0.0004","10.3588","0.0006","18.876","0.001","78.99","0.005","77.823","0.004","80.206","0.004","1685.06","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H28 N2 O21 S2 Sm -","- C26 H28 N2 O21 S2 Sm -","- C52 H56 N4 O42 S4 Sm2 -","2","1","","Coban, Mustafa Burak; Yahsi, Yasemin; Gungor, Elif; Kuru Alpaslan, Fatma; Kara Subasat, Hulya","Eu@PMMA and Sm@PMMA nanofibers prepared by electrospinning: structural, morphology, photoluminescence and magnetic properties","CrystEngComm","2020","","","","","10.1039/D0CE00507J","","","0.71073","MoKα","","0.0521","0.0401","","","0.0657","0.0694","","","","","","1.01","","","","has coordinates","255332","2020-10-21","18:00:00",""
"7241075","9.7723","0.0006","12.896","0.0009","13.7128","0.001","104.309","0.006","109.946","0.006","96.773","0.005","1534.8","0.2","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H47 Mg3 N5 O17 S6 -","- C44.9994 H46.9986 Mg3 N4.9998 O17 S6 -","- C44.9994 H46.9986 Mg3 N4.9998 O17 S6 -","1","0.5","","Dubskikh, Vadim A.; Lysova , Anna; Samsonenko, Denis G.; Dybtsev, Danil N.; Fedin, Vladimir P.","Topological polymorphism and temperature-driven topotactical transitions of metal-organic coordination polymers","CrystEngComm","2020","","","","","10.1039/D0CE01045F","","x-ray","0.71073","MoKα","","0.0683","0.0602","","","0.1816","0.1868","","","","","","1.088","","","","has coordinates,has disorder","255434","2020-10-21","18:00:00",""
"7241076","18.7842","0.0006","14.8469","0.0004","19.2101","0.0005","90","","104.519","0.003","90","","5186.4","0.3","140","2","140","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H40 Mg3 N4 O16 S6 -","- C42 H40 Mg3 N4 O16 S6 -","- C168 H160 Mg12 N16 O64 S24 -","4","0.5","","Dubskikh, Vadim A.; Lysova , Anna; Samsonenko, Denis G.; Dybtsev, Danil N.; Fedin, Vladimir P.","Topological polymorphism and temperature-driven topotactical transitions of metal-organic coordination polymers","CrystEngComm","2020","","","","","10.1039/D0CE01045F","","x-ray","0.71073","MoKα","","0.0546","0.0495","","","0.1383","0.1415","","","","","","1.04","","","","has coordinates,has disorder","255434","2020-10-21","18:00:00",""
"7241088","11.2359","0.0002","14.902","0.0002","12.3361","0.0003","90","","111.221","0.001","90","","1925.46","0.06","233","2","233","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C7 H11 Br N2 O S -","- C7 H11 Br N2 O S -","- C56 H88 Br8 N16 O8 S8 -","8","1","","Braun, Doris Elfriede; Lampl, Martin; Kahlenberg, Volker; Wurst, Klaus; Schottenberger, Herwig; Hummel, Michael; Griesser, Ulrich J.","2-Mercaptoimidazolium halides: structural diversity, stability and spontaneous racemisation","CrystEngComm","2020","","","","","10.1039/D0CE00774A","","x-ray","0.71073","MoKα","","0.032","0.0289","","","0.0737","0.0762","","","","","","1.083","","","","has coordinates","255570","2020-10-21","18:00:00",""
"7241089","11.1116","0.0002","14.6502","0.0003","12.1138","0.0004","90","","111.27","0.002","90","","1837.64","0.08","233","2","233","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C7 H11 Cl N2 O S -","- C7 H11 Cl N2 O S -","- C56 H88 Cl8 N16 O8 S8 -","8","1","","Braun, Doris Elfriede; Lampl, Martin; Kahlenberg, Volker; Wurst, Klaus; Schottenberger, Herwig; Hummel, Michael; Griesser, Ulrich J.","2-Mercaptoimidazolium halides: structural diversity, stability and spontaneous racemisation","CrystEngComm","2020","","","","","10.1039/D0CE00774A","","x-ray","0.71073","MoKα","","0.0311","0.0287","","","0.0731","0.0747","","","","","","1.046","","","","has coordinates","255570","2020-10-21","18:00:00",""
"7241090","15.1584","0.0006","6.9422","0.0003","8.7807","0.0004","90","","90","","90","","924.02","0.07","203","2","203","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C6 H10 Br N3 O S -","- C6 H10 Br N3 O S -","- C24 H40 Br4 N12 O4 S4 -","4","1","","Braun, Doris Elfriede; Lampl, Martin; Kahlenberg, Volker; Wurst, Klaus; Schottenberger, Herwig; Hummel, Michael; Griesser, Ulrich J.","2-Mercaptoimidazolium halides: structural diversity, stability and spontaneous racemisation","CrystEngComm","2020","","","","","10.1039/D0CE00774A","","x-ray","0.71073","MoKα","","0.0344","0.0287","","","0.0585","0.0606","","","","","","1.067","","","","has coordinates","255570","2020-10-21","18:00:00",""
"7241091","5.8057","0.0003","19.4234","0.0011","8.3009","0.0005","90","","102.153","0.005","90","","915.08","0.09","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H9 Br N4 O S -","- C5 H9 Br N4 O S -","- C20 H36 Br4 N16 O4 S4 -","4","1","","Braun, Doris Elfriede; Lampl, Martin; Kahlenberg, Volker; Wurst, Klaus; Schottenberger, Herwig; Hummel, Michael; Griesser, Ulrich J.","2-Mercaptoimidazolium halides: structural diversity, stability and spontaneous racemisation","CrystEngComm","2020","","","","","10.1039/D0CE00774A","","x-ray","0.71073","MoKα","","0.0394","0.0325","","","0.0846","0.0883","","","","","","1.146","","","","has coordinates","255570","2020-10-21","18:00:00",""
"7241092","17.196","0.0008","8.4197","0.0005","6.6408","0.0003","90","","95.281","0.004","90","","957.41","0.08","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C7 H11 Cl N2 O S -","- C7 H11 Cl N2 O S -","- C28 H44 Cl4 N8 O4 S4 -","4","1","","Braun, Doris Elfriede; Lampl, Martin; Kahlenberg, Volker; Wurst, Klaus; Schottenberger, Herwig; Hummel, Michael; Griesser, Ulrich J.","2-Mercaptoimidazolium halides: structural diversity, stability and spontaneous racemisation","CrystEngComm","2020","","","","","10.1039/D0CE00774A","","x-ray","0.71073","MoKα","","0.0319","0.0287","","","0.0757","0.0765","","","","","","1.018","","","","has coordinates","255570","2020-10-21","18:00:00",""
"7241093","4.7921","0.0005","11.1245","0.0012","11.2988","0.0013","65.883","0.008","86.445","0.009","78.351","0.008","538.29","0.11","295","1","295","1","","","","","","","","5","P -1","-P 1","2","","","","- C22 H14 Cl2 N4 O8 -","- C22 H14 Cl2 N4 O8 -","- C22 H14 Cl2 N4 O8 -","1","0.5","","Sosa-Rivadeneyra, Martha Virginia; Perumal, Venkatesan; Flores-Manuel, Fermin; Bernès, Sylvain; Höpfl, Herbert; Ceron, Margarita; Thamotharan, Subbiah; Percino, M. Judith","Quantitative analysis of intermolecular interactions in cocrystals and a pair of polymorphous cocrystal hydrates from 1,4-dihydroquinoxaline-2,3-dione and 1H-benzo[d]imidazol-2(3H)-one with 2,5-dihydroxy-1,4-benzoquinones: A combined X-ray structure and theoretical analysis","CrystEngComm","2020","","","","","10.1039/D0CE01056A","","x-ray","0.56083","AgKα","","0.0553","0.0351","","","0.0852","0.091","","","","","","0.894","","","","has coordinates","255571","2020-10-21","18:00:00",""
"7241094","5.2947","0.0006","8.124","0.0007","20.88","0.003","90","","90.109","0.009","90","","898.13","0.18","295","1","295","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 N4 O6 -","- C20 H16 N4 O6 -","- C40 H32 N8 O12 -","2","0.5","","Sosa-Rivadeneyra, Martha Virginia; Perumal, Venkatesan; Flores-Manuel, Fermin; Bernès, Sylvain; Höpfl, Herbert; Ceron, Margarita; Thamotharan, Subbiah; Percino, M. Judith","Quantitative analysis of intermolecular interactions in cocrystals and a pair of polymorphous cocrystal hydrates from 1,4-dihydroquinoxaline-2,3-dione and 1H-benzo[d]imidazol-2(3H)-one with 2,5-dihydroxy-1,4-benzoquinones: A combined X-ray structure and theoretical analysis","CrystEngComm","2020","","","","","10.1039/D0CE01056A","","x-ray","0.56083","AgKα","","0.0574","0.0398","","","0.0938","0.1021","","","","","","0.906","","","","has coordinates","255571","2020-10-21","18:00:00",""
"7241095","27.986","0.003","4.615","0.0003","24.046","0.002","90","","132.364","0.005","90","","2294.7","0.4","295","1","295","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H18 Cl2 N4 O10 -","- C22 H18 Cl2 N4 O10 -","- C88 H72 Cl8 N16 O40 -","4","0.5","","Sosa-Rivadeneyra, Martha Virginia; Perumal, Venkatesan; Flores-Manuel, Fermin; Bernès, Sylvain; Höpfl, Herbert; Ceron, Margarita; Thamotharan, Subbiah; Percino, M. Judith","Quantitative analysis of intermolecular interactions in cocrystals and a pair of polymorphous cocrystal hydrates from 1,4-dihydroquinoxaline-2,3-dione and 1H-benzo[d]imidazol-2(3H)-one with 2,5-dihydroxy-1,4-benzoquinones: A combined X-ray structure and theoretical analysis","CrystEngComm","2020","","","","","10.1039/D0CE01056A","","x-ray","0.56083","AgKα","","0.0677","0.0329","","","0.0579","0.0627","","","","","","0.741","","","","has coordinates","255571","2020-10-21","18:00:00",""
"7241096","8.4521","0.0005","5.1303","0.0002","23.1482","0.0014","90","","99.316","0.005","90","","990.51","0.09","295","1","295","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 Cl2 N4 O6 -","- C20 H14 Cl2 N4 O6 -","- C40 H28 Cl4 N8 O12 -","2","0.5","","Sosa-Rivadeneyra, Martha Virginia; Perumal, Venkatesan; Flores-Manuel, Fermin; Bernès, Sylvain; Höpfl, Herbert; Ceron, Margarita; Thamotharan, Subbiah; Percino, M. Judith","Quantitative analysis of intermolecular interactions in cocrystals and a pair of polymorphous cocrystal hydrates from 1,4-dihydroquinoxaline-2,3-dione and 1H-benzo[d]imidazol-2(3H)-one with 2,5-dihydroxy-1,4-benzoquinones: A combined X-ray structure and theoretical analysis","CrystEngComm","2020","","","","","10.1039/D0CE01056A","","x-ray","0.56083","AgKα","","0.0526","0.0364","","","0.0987","0.1037","","","","","","1.043","","","","has coordinates","255571","2020-10-21","18:00:00",""
"7241097","4.7183","0.0006","10.9094","0.0012","11.9445","0.0016","74.12","0.009","81.304","0.011","81.681","0.01","581.11","0.13","295","1","295","1","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 Cl2 N4 O10 -","- C22 H18 Cl2 N4 O10 -","- C22 H18 Cl2 N4 O10 -","1","0.5","","Sosa-Rivadeneyra, Martha Virginia; Perumal, Venkatesan; Flores-Manuel, Fermin; Bernès, Sylvain; Höpfl, Herbert; Ceron, Margarita; Thamotharan, Subbiah; Percino, M. Judith","Quantitative analysis of intermolecular interactions in cocrystals and a pair of polymorphous cocrystal hydrates from 1,4-dihydroquinoxaline-2,3-dione and 1H-benzo[d]imidazol-2(3H)-one with 2,5-dihydroxy-1,4-benzoquinones: A combined X-ray structure and theoretical analysis","CrystEngComm","2020","","","","","10.1039/D0CE01056A","","x-ray","0.56083","AgKα","","0.0763","0.0342","","","0.0598","0.0677","","","","","","0.841","","","","has coordinates","255571","2020-10-21","18:00:00",""
"7241098","9.6305","0.0015","4.8508","0.0009","19.676","0.003","90","","101.762","0.008","90","","899.9","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H10 N2 O4 -","- C8 H10 N2 O4 -","- C32 H40 N8 O16 -","4","1","","Alvarez-Lorenzo, Carmen; Castineiras, Alfonso; Frontera, Antonio; Garcia-Santos, Isabel; González-Pérez, Josefa Maria; Niclos-Gutierrez, Juan; Rodríguez-González, Iria; Vilchez, Esther; Zaręba, Jan Kazimierz","Recurrent motifs in pharmaceutical cocrystals involving Glycolic acid: X-ray characterization, Hirshfeld surface analysis and DFT calculations","CrystEngComm","2020","","","","","10.1039/D0CE01064B","","","0.71073","MoKα","","0.0775","0.0528","","","0.127","0.1419","","","","","","1.038","","","","has coordinates","255573","2020-10-21","18:00:00",""
"7241099","14.4343","0.0012","12.339","0.0012","16.3675","0.0011","90","","90","","90","","2915.1","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H16 N4 O5 -","- C14 H16 N4 O5 -","- C112 H128 N32 O40 -","8","1","","Alvarez-Lorenzo, Carmen; Castineiras, Alfonso; Frontera, Antonio; Garcia-Santos, Isabel; González-Pérez, Josefa Maria; Niclos-Gutierrez, Juan; Rodríguez-González, Iria; Vilchez, Esther; Zaręba, Jan Kazimierz","Recurrent motifs in pharmaceutical cocrystals involving Glycolic acid: X-ray characterization, Hirshfeld surface analysis and DFT calculations","CrystEngComm","2020","","","","","10.1039/D0CE01064B","","","0.71073","MoKα","","0.056","0.0401","","","0.1027","0.114","","","","","","1.046","","","","has coordinates","255573","2020-10-21","18:00:00",""
"7241100","8.297","0.0004","8.4259","0.0004","8.6973","0.0004","73.191","0.003","62.99","0.003","63.742","0.003","482.84","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H11 N5 O3 -","- C8 H11 N5 O3 -","- C16 H22 N10 O6 -","2","1","","Alvarez-Lorenzo, Carmen; Castineiras, Alfonso; Frontera, Antonio; Garcia-Santos, Isabel; González-Pérez, Josefa Maria; Niclos-Gutierrez, Juan; Rodríguez-González, Iria; Vilchez, Esther; Zaręba, Jan Kazimierz","Recurrent motifs in pharmaceutical cocrystals involving Glycolic acid: X-ray characterization, Hirshfeld surface analysis and DFT calculations","CrystEngComm","2020","","","","","10.1039/D0CE01064B","","","0.71073","MoKα","","0.1433","0.0773","","","0.1602","0.1931","","","","","","1.015","","","","has coordinates","255573","2020-10-21","18:00:00",""
"7241101","16.8076","0.0015","6.312","0.0006","13.8556","0.0013","90","","90","","90","","1469.9","0.2","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C12 H18 N4 O8 -","- C12 H18 N4 O8 -","- C48 H72 N16 O32 -","4","0.5","","Alvarez-Lorenzo, Carmen; Castineiras, Alfonso; Frontera, Antonio; Garcia-Santos, Isabel; González-Pérez, Josefa Maria; Niclos-Gutierrez, Juan; Rodríguez-González, Iria; Vilchez, Esther; Zaręba, Jan Kazimierz","Recurrent motifs in pharmaceutical cocrystals involving Glycolic acid: X-ray characterization, Hirshfeld surface analysis and DFT calculations","CrystEngComm","2020","","","","","10.1039/D0CE01064B","","","0.71073","MoKα","","0.0632","0.0403","","","0.0916","0.1057","","","","","","1.03","","","","has coordinates","255573","2020-10-21","18:00:00",""
"7241102","3.8177","0.0001","18.7165","0.0007","10.7428","0.0004","90","","109.012","0.002","90","","725.74","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H11 N O6 -","- C4 H11 N O6 -","- C16 H44 N4 O24 -","4","1","","Alvarez-Lorenzo, Carmen; Castineiras, Alfonso; Frontera, Antonio; Garcia-Santos, Isabel; González-Pérez, Josefa Maria; Niclos-Gutierrez, Juan; Rodríguez-González, Iria; Vilchez, Esther; Zaręba, Jan Kazimierz","Recurrent motifs in pharmaceutical cocrystals involving Glycolic acid: X-ray characterization, Hirshfeld surface analysis and DFT calculations","CrystEngComm","2020","","","","","10.1039/D0CE01064B","","","1.54178","CuKα","","0.0302","0.0284","","","0.0735","0.0748","","","","","","1.084","","","","has coordinates","255573","2020-10-21","18:00:00",""
"7241103","3.726","0.0003","10.5594","0.0009","10.9879","0.0009","84.17","0.006","87.921","0.005","85.492","0.006","428.57","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H10 N2 O4 -","- C8 H10 N2 O4 -","- C16 H20 N4 O8 -","2","1","","Alvarez-Lorenzo, Carmen; Castineiras, Alfonso; Frontera, Antonio; Garcia-Santos, Isabel; González-Pérez, Josefa Maria; Niclos-Gutierrez, Juan; Rodríguez-González, Iria; Vilchez, Esther; Zaręba, Jan Kazimierz","Recurrent motifs in pharmaceutical cocrystals involving Glycolic acid: X-ray characterization, Hirshfeld surface analysis and DFT calculations","CrystEngComm","2020","","","","","10.1039/D0CE01064B","","","0.71073","MoKα","","0.0418","0.0365","","","0.0985","0.1035","","","","","","1.039","","","","has coordinates","255573","2020-10-21","18:00:00",""
"7241104","6.7934","0.0007","9.2159","0.0014","27.264","0.005","90","","93.007","0.012","90","","1704.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Mebendazole perchlorate","","- C16 H14 Cl N3 O7 -","- C16 H14 Cl N3 O7 -","- C64 H56 Cl4 N12 O28 -","4","1","","Gutiérrez, Eduardo L. L.; Godoy, Agustin Alejandro; Narda, Griselda E.; Ellena, Javier A.","Rational design, supramolecular synthesis and solid state characterization of two bicomponent solid forms of Mebendazole","CrystEngComm","2020","","","","","10.1039/D0CE00924E","","x-ray","0.71073","MoKα","","0.2439","0.0915","","","0.2043","0.2845","","","","","","1.026","","","","has coordinates","255574","2020-10-21","18:00:00",""
"7241105","9.1092","0.0011","9.9717","0.0014","9.9908","0.0014","92.075","0.012","102.401","0.011","90.209","0.01","885.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Mebendazole methylbisulfate","Mebendazole methylsulfate","","- C17 H17 N3 O7 S -","- C17 H17 N3 O7 S -","- C34 H34 N6 O14 S2 -","2","1","","Gutiérrez, Eduardo L. L.; Godoy, Agustin Alejandro; Narda, Griselda E.; Ellena, Javier A.","Rational design, supramolecular synthesis and solid state characterization of two bicomponent solid forms of Mebendazole","CrystEngComm","2020","","","","","10.1039/D0CE00924E","","x-ray","0.71073","MoKα","","0.1639","0.0649","","","0.1512","0.1882","","","","","","1.049","","","","has coordinates","255574","2020-10-21","18:00:00",""
"7241106","9.6941","0.0003","18.5267","0.0005","11.897","0.0003","90","","100.254","0.001","90","","2102.57","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 Br N O2 -","- C26 H16 Br N O2 -","- C104 H64 Br4 N4 O8 -","4","1","","Xie, Yufeng; Wang, Zhiqiang; Liu, Xiaoqing; Liu, Miaochang; Lei, Yunxiang; Zhou, Yun-Bing; Gao, Wenxia; Huang, Xiaobo; Wu, Huayue","Synthesis, photophysical and mechanochromic properties of novel 2,3,4,6-tetraaryl-4H-pyran derivatives","CrystEngComm","2020","","","","","10.1039/D0CE01021A","","","0.71073","MoKα","","0.0525","0.0346","","","0.0818","0.0907","","","","","","1.034","","","","has coordinates","255614","2020-10-21","18:00:00",""
"7241107","9.9622","0.0007","10.257","0.0007","18.2695","0.0011","90.165","0.002","93.058","0.002","93.993","0.002","1859.6","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H30 N2 O2 -","- C44 H30 N2 O2 -","- C88 H60 N4 O4 -","2","1","","Xie, Yufeng; Wang, Zhiqiang; Liu, Xiaoqing; Liu, Miaochang; Lei, Yunxiang; Zhou, Yun-Bing; Gao, Wenxia; Huang, Xiaobo; Wu, Huayue","Synthesis, photophysical and mechanochromic properties of novel 2,3,4,6-tetraaryl-4H-pyran derivatives","CrystEngComm","2020","","","","","10.1039/D0CE01021A","","","0.71073","MoKα","","0.0956","0.063","","","0.1722","0.1938","","","","","","1.054","","","","has coordinates,has disorder","255614","2020-10-21","18:00:00",""
"7241110","9.2669","0.0004","9.8502","0.0005","14.0987","0.0007","95.459","0.002","102.736","0.002","96.328","0.002","1238.13","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H21 N5 O11 Zn2 -","- C23 H21 N5 O11 Zn2 -","- C46 H42 N10 O22 Zn4 -","2","1","","Chen, Xiaoli; Shang, Lu; Cui, Huali; Yang, Hua; Liu, Ling; Ren, Yixia; Wang, Jijiang","Four novel Zn(ii)/Cu(ii) coordination polymers containing hydroxyl groups: synthesis, crystal structure, luminescence sensing and photocatalysis properties","CrystEngComm","2020","","","","","10.1039/D0CE00950D","","","0.71073","MoKα","","0.0291","0.0243","","","0.0629","0.0651","","","","","","1.088","","","","has coordinates,has disorder","255639","2020-10-21","18:00:00",""
"7241111","9.7083","0.0003","12.3721","0.0008","18.0053","0.0005","91.074","0.004","95.987","0.003","99.217","0.004","2121.7","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H34 N8 O23 Zn4 -","- C32 H34 N8 O23 Zn4 -","- C64 H68 N16 O46 Zn8 -","2","1","","Chen, Xiaoli; Shang, Lu; Cui, Huali; Yang, Hua; Liu, Ling; Ren, Yixia; Wang, Jijiang","Four novel Zn(ii)/Cu(ii) coordination polymers containing hydroxyl groups: synthesis, crystal structure, luminescence sensing and photocatalysis properties","CrystEngComm","2020","","","","","10.1039/D0CE00950D","","","0.71073","MoKα","","0.0575","0.0381","","","0.0903","0.0971","","","","","","1.091","","","","has coordinates","255640","2020-10-21","18:00:00",""
"7241112","9.9614","0.0012","17.775","0.002","19.243","0.002","90","","102.947","0.002","90","","3320.6","0.6","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H19 Cu2 N7 O7 -","- C35 H19 Cu2 N7 O7 -","- C140 H76 Cu8 N28 O28 -","4","0.5","","Chen, Xiaoli; Shang, Lu; Cui, Huali; Yang, Hua; Liu, Ling; Ren, Yixia; Wang, Jijiang","Four novel Zn(ii)/Cu(ii) coordination polymers containing hydroxyl groups: synthesis, crystal structure, luminescence sensing and photocatalysis properties","CrystEngComm","2020","","","","","10.1039/D0CE00950D","","","0.71073","MoKα","","0.0952","0.0819","","","0.2515","0.2632","","","","","","1.089","","","","has coordinates,has disorder","255641","2020-10-21","18:00:00",""
"7241113","9.2751","0.0019","9.8616","0.0017","14.1","0.003","95.512","0.007","102.83","0.006","96.382","0.006","1240","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H21 Cu2 N5 O11 -","- C23 H21 Cu2 N5 O11 -","- C46 H42 Cu4 N10 O22 -","2","1","","Chen, Xiaoli; Shang, Lu; Cui, Huali; Yang, Hua; Liu, Ling; Ren, Yixia; Wang, Jijiang","Four novel Zn(ii)/Cu(ii) coordination polymers containing hydroxyl groups: synthesis, crystal structure, luminescence sensing and photocatalysis properties","CrystEngComm","2020","","","","","10.1039/D0CE00950D","","","0.71073","MoKα","","0.036","0.0284","","","0.0694","0.0725","","","","","","1.026","","","","has coordinates,has disorder","255642","2020-10-21","18:00:00",""
"7241114","21.961","0.005","11.928","0.003","8.903","0.002","90","","90","","90","","2332.1","0.9","296","2","296.15","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C6 H10 Cs4 N6 O4 S6 -","- C6 H10 Cs4 N6 O4 S6 -","- C24 H40 Cs16 N24 O16 S24 -","4","0.5","","Zhao, Jianmin; Liu, Hongkun; Zhang, Xiaodong; Zhang, Bingbing; Wang, Ying","Facile synthesis of a cesium trithiocyanurate with high ionic conductivity and large birefringence properties","CrystEngComm","2020","","","","","10.1039/D0CE01116A","","","0.71073","MoKα","","0.0617","0.0356","","","0.0671","0.0757","","","","","","1.033","","","","has coordinates","255643","2020-10-21","18:00:00",""
"7241115","32.824","0.006","6.1669","0.0011","6.2114","0.0011","90","","93.205","0.002","90","","1255.4","0.4","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C16 H24 I4 N2 Pb -","- C16 I4 N2 Pb -","- C32 I8 N4 Pb2 -","2","0.25","","Song, Jiewu; Dang, Yangyang; Liu, Xiaolong; Tao, Xutang","Layered Hybrid Lead Perovskite Single Crystals: Phase Transformations and Tunable Optical Properties","CrystEngComm","2020","","","","","10.1039/D0CE00753F","","","0.71073","MoKα","","0.0371","0.0328","","","0.0899","0.1051","","","","","","1.204","","","","has coordinates","255644","2020-10-21","18:00:00",""
"7241116","8.8201","0.0014","8.8198","0.0014","29.038","0.005","93.198","0.002","95.495","0.002","90.123","0.002","2245","0.6","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","C18H36N4I10Pb3","","- C18 H36 I10 N4 Pb3 -","- C25 I10 N2 Pb3 -","- C50 I20 N4 Pb6 -","2","1","","Song, Jiewu; Dang, Yangyang; Liu, Xiaolong; Tao, Xutang","Layered Hybrid Lead Perovskite Single Crystals: Phase Transformations and Tunable Optical Properties","CrystEngComm","2020","","","","","10.1039/D0CE00753F","","","0.71073","MoKα","","0.083","0.0607","","","0.1573","0.1734","","","","","","1.107","","","","has coordinates","255644","2020-10-21","18:00:00",""
"7241117","8.8092","0.0005","8.8168","0.0004","22.8196","0.0012","97.072","0.004","93.983","0.004","90.199","0.004","1754.51","0.16","296","0.1","296","0.1","","","","","","","","5","P -1","-P 1","2","","C17H30N3I7Pb2","","- C17 H30 I7 N3 Pb2 -","- C7 I7 N2 Pb2 -","- C14 I14 N4 Pb4 -","2","1","","Song, Jiewu; Dang, Yangyang; Liu, Xiaolong; Tao, Xutang","Layered Hybrid Lead Perovskite Single Crystals: Phase Transformations and Tunable Optical Properties","CrystEngComm","2020","","","","","10.1039/D0CE00753F","","x-ray","0.71073","MoKα","","0.0747","0.0546","","","0.1443","0.1592","","","","","","1.052","","","","has coordinates","255644","2020-10-21","18:00:00",""
"7241118","8.7497","0.0008","8.751","0.0008","16.683","0.0015","99.7643","0.001","95.2258","0.001","90.3394","0.001","1253.4","0.2","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","C16H24I4N2Pb","","- C16 H24 I4 N2 Pb -","- C16 I4 N2 Pb -","- C32 I8 N4 Pb2 -","2","1","","Song, Jiewu; Dang, Yangyang; Liu, Xiaolong; Tao, Xutang","Layered Hybrid Lead Perovskite Single Crystals: Phase Transformations and Tunable Optical Properties","CrystEngComm","2020","","","","","10.1039/D0CE00753F","","","0.71073","MoKα","","0.0396","0.0348","","","0.0978","0.1064","","","","","","1.091","","","","has coordinates","255644","2020-10-21","18:00:00",""
"7241119","8.735","0.0016","8.7359","0.0016","16.673","0.003","99.694","0.005","95.22","0.006","90.393","0.005","1248.6","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","C16H24N2I4Pb","","- C16 H24 I4 N2 Pb -","- C19 I4 N2 Pb -","- C38 I8 N4 Pb2 -","2","1","","Song, Jiewu; Dang, Yangyang; Liu, Xiaolong; Tao, Xutang","Layered Hybrid Lead Perovskite Single Crystals: Phase Transformations and Tunable Optical Properties","CrystEngComm","2020","","","","","10.1039/D0CE00753F","","","0.71073","MoKα","","0.0682","0.0525","","","0.1418","0.1482","","","","","","1.175","","","","has coordinates","255644","2020-10-21","18:00:00",""
"7241120","10.8713","0.0004","14.5655","0.0006","8.7376","0.0004","90","","102.36","0.001","90","","1351.5","0.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 O6 U -","- C14 H8 O6 U -","- C56 H32 O24 U4 -","4","1","","Tong, Xiao-Lan; Wang, Shan; Gao, Hong Xia; Ge, Ying Chong; Zuo, Jun; Liu, Fen; Ding, Jianhua; Xiong, Jianbo","Hydrothermal Synthesis of Two 2D Uranyl Coordination Polymers, Structure, Luminescence, and Photocatalytic Degradation of Rhodamine B","CrystEngComm","2020","","","","","10.1039/D0CE01091J","","","0.71073","MoKα","","0.0257","0.0175","","","0.0373","0.0393","","","","","","1.078","","","","has coordinates","255645","2020-10-21","18:00:00",""
"7241121","10.4923","0.0011","15.3276","0.0017","12.1504","0.0013","90","","97.178","0.003","90","","1938.7","0.4","300","2","299.85","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 N O7 U -","- C19 H17 N O7 U -","- C76 H68 N4 O28 U4 -","4","1","","Tong, Xiao-Lan; Wang, Shan; Gao, Hong Xia; Ge, Ying Chong; Zuo, Jun; Liu, Fen; Ding, Jianhua; Xiong, Jianbo","Hydrothermal Synthesis of Two 2D Uranyl Coordination Polymers, Structure, Luminescence, and Photocatalytic Degradation of Rhodamine B","CrystEngComm","2020","","","","","10.1039/D0CE01091J","","","0.71073","MoKα","","0.031","0.0242","","","0.0555","0.0601","","","","","","1.117","","","","has coordinates","255645","2020-10-21","18:00:00",""
"7241122","9.6125","0.0001","11.4482","0.0001","12.0079","0.0001","88.333","0.001","66.767","0.001","85.721","0.001","1210.88","0.02","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 N2 O6 Zn -","- C28 H20 N2 O6 Zn -","- C56 H40 N4 O12 Zn2 -","2","1","","Qiu, Sheng-En; Yang, Shi-Yao","Reversible photo/thermal solid-state transformation of a coordination polymer","CrystEngComm","2020","","","","","10.1039/D0CE00905A","","","1.5418","CuKα","","0.0417","0.037","","","0.0968","0.1026","","","","","","1.032","","","","has coordinates,has disorder","255646","2020-10-21","18:00:00",""
"7241123","9.4489","0.0004","10.9319","0.0004","12.4569","0.0007","91.048","0.005","64.18","0.004","85.038","0.004","1151.68","0.1","100","2","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 N2 O6 Zn -","- C28 H20 N2 O6 Zn -","- C56 H40 N4 O12 Zn2 -","2","1","","Qiu, Sheng-En; Yang, Shi-Yao","Reversible photo/thermal solid-state transformation of a coordination polymer","CrystEngComm","2020","","","","","10.1039/D0CE00905A","","x-ray","1.54184","CuKα","","0.0617","0.0568","","","0.1523","0.1586","","","","","","1.006","","","","has coordinates,has disorder","255646","2020-10-21","18:00:00",""
"7241124","9.511","0.0002","11.4116","0.0003","11.7909","0.0003","87.5702","0.0019","83.0661","0.0019","67.522","0.002","1173.85","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 Co N2 O6 -","- C28 H20 Co N2 O6 -","- C56 H40 Co2 N4 O12 -","2","1","","Qiu, Sheng-En; Yang, Shi-Yao","Reversible photo/thermal solid-state transformation of a coordination polymer","CrystEngComm","2020","","","","","10.1039/D0CE00905A","","","1.54184","CuKα","","0.0376","0.0349","","","0.0878","0.0894","","","","","","1.045","","","","has coordinates,has disorder","255646","2020-10-21","18:00:00",""
"7241125","9.6125","0.0001","11.4482","0.0001","12.0634","0.0002","88.252","0.001","66.161","0.001","85.721","0.001","1210.88","0.03","100","2","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 N2 O6 Zn -","- C28 H20 N2 O6 Zn -","- C56 H40 N4 O12 Zn2 -","2","1","","Qiu, Sheng-En; Yang, Shi-Yao","Reversible photo/thermal solid-state transformation of a coordination polymer","CrystEngComm","2020","","","","","10.1039/D0CE00905A","","x-ray","1.54184","CuKα","","0.1516","0.1436","","","0.4317","0.4456","","","","","","2.114","","","","has coordinates,has disorder","255646","2020-10-21","18:00:00",""
"7241126","12.4871","0.001","14.3971","0.0012","16.4209","0.001","90","","114.354","0.005","90","","2689.4","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 Cd N4 O10 -","- C20 H24 Cd N4 O10 -","- C80 H96 Cd4 N16 O40 -","4","1","","Wang, Jun; Chen, Ning-Ning; Qian, Jin; Chen, Xuanrong; Zhang, Xin-Yue; Fan, Liming","Multiresponsive chemosensing and photocatalytic properties of three luminescent coordination polymers derived from bifunctional 1,1'-Di(4-carbonylphenyl)-2,2'-biimidazoline ligand","CrystEngComm","2020","","","","","10.1039/D0CE00814A","","","0.71073","MoKα","","0.0479","0.0421","","","0.1283","0.136","","","","","","1.075","","","","has coordinates,has disorder","255677","2020-10-21","18:00:00",""
"7241127","32.2321","0.0019","32.2321","0.0019","14.2264","0.0011","90","","90","","120","","12799.8","1.5","291","2","291","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C20 H12 N4 O4 Zn -","- C20 H12 N4 O4 Zn -","- C360 H216 N72 O72 Zn18 -","18","1","","Wang, Jun; Chen, Ning-Ning; Qian, Jin; Chen, Xuanrong; Zhang, Xin-Yue; Fan, Liming","Multiresponsive chemosensing and photocatalytic properties of three luminescent coordination polymers derived from bifunctional 1,1'-Di(4-carbonylphenyl)-2,2'-biimidazoline ligand","CrystEngComm","2020","","","","","10.1039/D0CE00814A","","","0.71073","MoKα","","0.0599","0.0383","","","0.0923","0.0945","","","","","","1.091","","","","has coordinates","255677","2020-10-21","18:00:00",""
"7241128","16.2489","0.0013","16.2489","0.0013","45.5303","0.0017","90","","90","","120","","10410.7","1.2","291","2","291","2","","","","","","","","6","P 61","P 61","169","","","","- C63 H43 Cd4 Cl2 N13 O13 -","- C63 H43 Cd4 Cl2 N13 O13 -","- C378 H258 Cd24 Cl12 N78 O78 -","6","1","","Wang, Jun; Chen, Ning-Ning; Qian, Jin; Chen, Xuanrong; Zhang, Xin-Yue; Fan, Liming","Multiresponsive chemosensing and photocatalytic properties of three luminescent coordination polymers derived from bifunctional 1,1'-Di(4-carbonylphenyl)-2,2'-biimidazoline ligand","CrystEngComm","2020","","","","","10.1039/D0CE00814A","","","0.71073","MoKα","","0.032","0.0317","","","0.1034","0.1037","","","","","","1.032","","","","has coordinates","255677","2020-10-21","18:00:00",""
"7241144","14.588","0.0005","10.6964","0.0003","21.111","0.0009","90","","90","","90","","3294.1","0.2","296.31","0.1","296.31","0.1","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C18 H29 N3 O15.5 P5 Zn4 -","- C18 H26 N3 O15.5 P5 Zn4 -","- C72 H104 N12 O62 P20 Zn16 -","4","0.5","","Li, Ting; Mao, Yumei; Qi, Yue; Zeng, Hongmei; Zou, Guohong; Lin, Zhien","Ionothermal synthesis of crystalline metal phosphites using multifunctional protic ionic liquids","CrystEngComm","2020","","","","","10.1039/D0CE01182G","","x-ray","1.54184","CuKα","","0.0962","0.0894","","","0.2687","0.2789","","","","","","1.057","","","","has coordinates,has disorder","255721","2020-10-21","18:00:00",""
"7241145","5.06676","0.00018","18.5492","0.0006","7.3779","0.0003","90","","109.713","0.004","90","","652.77","0.04","294.05","0.1","294.05","0.1","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C4 H13 F2 Fe2 N2 O8 P2 -","- C4 H13 F2 Fe2 N2 O8 P2 -","- C8 H26 F4 Fe4 N4 O16 P4 -","2","0.5","","Li, Ting; Mao, Yumei; Qi, Yue; Zeng, Hongmei; Zou, Guohong; Lin, Zhien","Ionothermal synthesis of crystalline metal phosphites using multifunctional protic ionic liquids","CrystEngComm","2020","","","","","10.1039/D0CE01182G","","x-ray","1.54184","CuKα","","0.0474","0.0441","","","0.1178","0.1204","","","","","","1.102","","","","has coordinates,has disorder","255721","2020-10-21","18:00:00",""
"7241155","7.0657","0.0006","8.1092","0.0006","15.0924","0.0012","83.519","0.001","85.919","0.001","67.302","0.001","792.32","0.11","150","2","150","","","","","","","","","7","P -1","-P 1","2","","tetrakis(m2-Acetato')-bis((4-cyanopyridine-N)-copper(ii)) 1,4-diiodo tetrafluorobenzene","","- C13 H10 Cu F2 I N2 O4 -","- C13 H10 Cu F2 I N2 O4 -","- C26 H20 Cu2 F4 I2 N4 O8 -","2","1","","Torubaev, Yury; Skabitskiy, Ivan V.","New Supramolecular Heterosynthon [C-I∙∙∙O=C(carboxylate)] at Work: Engineering of the Copper Acetates Cocrystals.","CrystEngComm","2020","","","","","10.1039/D0CE01093F","","","0.71073","MoKα","","0.0358","0.0259","","","0.0566","0.0602","","","","","","1.026","","","","has coordinates","255789","2020-10-21","18:00:00",""
"7241156","7.4","0.0005","15.2947","0.0009","30.1955","0.0017","90","","97.02","0.002","90","","3391.9","0.4","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Di-coper(II) tetra-acetate 1,4-diiodo tetrafluorobenzene","","- C22 H20 Cu2 F8 I4 O10 -","- C22 H20 Cu2 F8 I4 O10 -","- C88 H80 Cu8 F32 I16 O40 -","4","1","","Torubaev, Yury; Skabitskiy, Ivan V.","New Supramolecular Heterosynthon [C-I∙∙∙O=C(carboxylate)] at Work: Engineering of the Copper Acetates Cocrystals.","CrystEngComm","2020","","","","","10.1039/D0CE01093F","","","0.71073","MoKα","","0.1369","0.0889","","","0.1867","0.2115","","","","","","1.077","","","","has coordinates","255789","2020-10-21","18:00:00",""
"7241157","15.1477","0.0005","4.3981","0.0002","11.08","0.0004","90","","97.422","0.001","90","","731.98","0.05","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,4-diiodo-tetrafluorobenzene acetic acid solvate","","- C10 H8 F4 I2 O4 -","- C10 H8 F4 I2 O4 -","- C20 H16 F8 I4 O8 -","2","0.5","","Torubaev, Yury; Skabitskiy, Ivan V.","New Supramolecular Heterosynthon [C-I∙∙∙O=C(carboxylate)] at Work: Engineering of the Copper Acetates Cocrystals.","CrystEngComm","2020","","","","","10.1039/D0CE01093F","","","0.71073","MoKα","","0.0264","0.0221","","","0.0357","0.0367","","","","","","1.152","","","","has coordinates","255789","2020-10-21","18:00:00",""
"7241158","8.7053","0.0003","14.5425","0.0005","15.3896","0.0005","90.191","0.001","98.112","0.001","97.898","0.001","1909.97","0.11","150","","150","","","","","","","","","6","P -1","-P 1","2","","Di-coper(II) tetra-acetate 1,4-diiodo tetrafluorobenzene methanol solvate","","- C24 H28 Cu2 F8 I4 O12 -","- C24 H28 Cu2 F8 I4 O12 -","- C48 H56 Cu4 F16 I8 O24 -","2","1","","Torubaev, Yury; Skabitskiy, Ivan V.","New Supramolecular Heterosynthon [C-I∙∙∙O=C(carboxylate)] at Work: Engineering of the Copper Acetates Cocrystals.","CrystEngComm","2020","","","","","10.1039/D0CE01093F","","","0.71073","MoKα","","0.0716","0.049","","","0.0911","0.0985","","","","","","1.039","","","","has coordinates,has disorder","255789","2020-10-21","18:00:00",""
"7241159","9.186","0.007","11.456","0.008","12.719","0.01","105.944","0.015","91.465","0.013","92.25","0.013","1285.1","1.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H46 N16 O8 Zn4 -","- C46 H46 N16 O8 Zn4 -","- C46 H46 N16 O8 Zn4 -","1","0.5","","Chattopadhyay, Shouvik; Frontera, Antonio; Karmakar, Mainak","Methylene spacer regulated variation in supramolecular assembly of zinc(II) dicyanamide complexes with reduced Schiff base ligands: Synthesis, structure and DFT study","CrystEngComm","2020","","","","","10.1039/D0CE01105C","","","0.71073","MoKα","","0.0626","0.0495","","","0.1516","0.1734","","","","","","1.131","","","","has coordinates,has disorder","255790","2020-10-21","18:00:00",""
"7241160","15.2249","0.0012","15.4358","0.0013","24.04","0.002","90","","90","","90","","5649.6","0.8","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C50 H56 N16 O8 Zn4 -","- C50 H56 N16 O8 Zn4 -","- C200 H224 N64 O32 Zn16 -","4","0.5","","Chattopadhyay, Shouvik; Frontera, Antonio; Karmakar, Mainak","Methylene spacer regulated variation in supramolecular assembly of zinc(II) dicyanamide complexes with reduced Schiff base ligands: Synthesis, structure and DFT study","CrystEngComm","2020","","","","","10.1039/D0CE01105C","","","0.71073","MoKα","","0.0677","0.0465","","","0.1278","0.144","","","","","","1.228","","","","has coordinates","255790","2020-10-21","18:00:00",""
"7241161","15.2598","0.0012","16.0078","0.0013","24.0526","0.0019","90","","90","","90","","5875.5","0.8","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C54 H64 N16 O8 Zn4 -","- C54 H64 N16 O8 Zn4 -","- C216 H256 N64 O32 Zn16 -","4","0.5","","Chattopadhyay, Shouvik; Frontera, Antonio; Karmakar, Mainak","Methylene spacer regulated variation in supramolecular assembly of zinc(II) dicyanamide complexes with reduced Schiff base ligands: Synthesis, structure and DFT study","CrystEngComm","2020","","","","","10.1039/D0CE01105C","","","0.71073","MoKα","","0.092","0.055","","","0.1433","0.1743","","","","","","1.096","","","","has coordinates","255790","2020-10-21","18:00:00",""
"7241162","11.8105","0.0002","11.8159","0.0002","14.7854","0.0003","81.763","0.001","69.718","0.001","73.452","0.001","1852.96","0.06","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H34 N2 O13 Zn3 -","- C36 H34 N2 O13 Zn3 -","- C72 H68 N4 O26 Zn6 -","2","1","","Lin, Yuhan; Yu, Liang; Wang, Hao; Li, Jing","Enhanced Fluorescence by Increasing Dimensionality: A Novel Three-Dimensional Luminescent Metal-Organic Framework with Rigidified Ligands","CrystEngComm","2020","","","","","10.1039/D0CE01092H","","","1.54178","CuKα","","0.0372","0.0347","","","0.1038","0.1065","","","","","","1.052","","","","has coordinates,has disorder","255791","2020-10-21","18:00:00",""
"7241169","13.3784","0.001","13.4372","0.001","22.8411","0.0017","79.854","0.004","86.664","0.004","82.954","0.003","4008.6","0.5","290","2","290","2","","","","","","","","6","P -1","-P 1","2","","","","- C79 H61 Cl6 Cu3 N6 O14 -","- C79 H61 Cl6 Cu3 N6 O14 -","- C158 H122 Cl12 Cu6 N12 O28 -","2","1","","Islam, Sakhiul; Pal, Baishakhi; Khan, Samim; Maity, Suvendu; Naaz, Sanobar; Ghosh, Prasanta; Ray, Partha Pratim; Mir, Mohammad Hedayetullah","Fabrication of Cu(II) based halobenzoate appended ladder polymers with efficient charge transport property","CrystEngComm","2020","","","","","10.1039/D0CE00831A","","","0.71073","MoKα","","0.1261","0.0922","","","0.2438","0.2673","","","","","","1.028","","","","has coordinates,has disorder","255813","2020-10-21","18:00:00",""
"7241170","13.3854","0.0007","13.4317","0.0007","23.086","0.0012","79.506","0.003","86.899","0.003","84.385","0.002","4058.8","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C79 H60 Br6 Cu3 N6 O14 -","- C79 H60 Br6 Cu3 N6 O14.1 -","- C158 H120 Br12 Cu6 N12 O28.2 -","2","1","","Islam, Sakhiul; Pal, Baishakhi; Khan, Samim; Maity, Suvendu; Naaz, Sanobar; Ghosh, Prasanta; Ray, Partha Pratim; Mir, Mohammad Hedayetullah","Fabrication of Cu(II) based halobenzoate appended ladder polymers with efficient charge transport property","CrystEngComm","2020","","","","","10.1039/D0CE00831A","","","0.71073","MoKα","","0.1711","0.0734","","","0.1959","0.2426","","","","","","1.058","","","","has coordinates,has disorder","255813","2020-10-21","18:00:00",""
"7241171","11.3089","0.0017","15.195","0.002","26.307","0.004","90","","97.4256","0.0018","90","","4482.7","1.1","100","2","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H78 N6 O6 -","- C42 H78 N6 O6 -","- C168 H312 N24 O24 -","4","1","","Pierri, Giovanni; SCHETTINI, ROSARIA; Nuss, Juergen; Dinnebier, Robert E.; De Riccardis, Francesco; Izzo, Irene; Tedesco, Consiglia","Cyclic hexapeptoids with N-alkyl side chains: solid-state assembly and thermal behaviour","CrystEngComm","2020","","","","","10.1039/D0CE01136C","","","0.71073","MoKα","","0.0759","0.064","","","0.1736","0.1832","","","","","","1.054","","","","has coordinates,has disorder","255814","2020-10-21","18:00:00",""
"7241172","15.7262","0.0007","15.2346","0.0007","11.2115","0.0005","90","","92.194","0.002","90","","2684.1","0.2","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H90 N6 O6 -","- C48 H90 N6 O6 -","- C96 H180 N12 O12 -","2","0.5","","Pierri, Giovanni; SCHETTINI, ROSARIA; Nuss, Juergen; Dinnebier, Robert E.; De Riccardis, Francesco; Izzo, Irene; Tedesco, Consiglia","Cyclic hexapeptoids with N-alkyl side chains: solid-state assembly and thermal behaviour","CrystEngComm","2020","","","","","10.1039/D0CE01136C","","","1.54178","CuKα","","0.1255","0.0748","","","0.1963","0.2318","","","","","","1.026","","","","has coordinates","255814","2020-10-21","18:00:00",""
"7241173","15.254","0.005","14.838","0.005","11.247","0.003","90","","91.957","0.009","90","","2544.1","1.4","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H90 N6 O6 -","- C48 H90 N6 O6 -","- C96 H180 N12 O12 -","2","0.5","","Pierri, Giovanni; SCHETTINI, ROSARIA; Nuss, Juergen; Dinnebier, Robert E.; De Riccardis, Francesco; Izzo, Irene; Tedesco, Consiglia","Cyclic hexapeptoids with N-alkyl side chains: solid-state assembly and thermal behaviour","CrystEngComm","2020","","","","","10.1039/D0CE01136C","","","0.71073","MoKα","","0.2011","0.1075","","","0.2188","0.2732","","","","","","1.074","","","","has coordinates","255814","2020-10-21","18:00:00",""
"7241174","16.888","0.015","15.377","0.014","11.247","0.01","90","","103.204","0.01","90","","2843","4","360","2","360.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 N3 O3 -","- C24 H19 N3 O3 -","- C96 H76 N12 O12 -","4","1","","Pierri, Giovanni; SCHETTINI, ROSARIA; Nuss, Juergen; Dinnebier, Robert E.; De Riccardis, Francesco; Izzo, Irene; Tedesco, Consiglia","Cyclic hexapeptoids with N-alkyl side chains: solid-state assembly and thermal behaviour","CrystEngComm","2020","","","","","10.1039/D0CE01136C","","","0.71073","MoKα","","0.2911","0.1524","","","0.3827","0.4591","","","","","","1.281","","","","has coordinates,has disorder","255814","2020-10-21","18:00:00",""
"7241175","14.6731","0.0011","15.3415","0.001","11.2315","0.0008","90","","108.98","0.003","90","","2390.8","0.3","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H78 N6 O6 -","- C42 H78 N6 O6 -","- C84 H156 N12 O12 -","2","0.5","","Pierri, Giovanni; SCHETTINI, ROSARIA; Nuss, Juergen; Dinnebier, Robert E.; De Riccardis, Francesco; Izzo, Irene; Tedesco, Consiglia","Cyclic hexapeptoids with N-alkyl side chains: solid-state assembly and thermal behaviour","CrystEngComm","2020","","","","","10.1039/D0CE01136C","","","1.54178","CuKα","","0.0804","0.0612","","","0.1815","0.2031","","","","","","1.033","","","","has coordinates,has disorder","255814","2020-10-21","18:00:00",""
"7241178","9.934","0.002","8.36","0.002","23.571","0.006","90","","92.977","0.008","90","","1954.9","0.8","300","2","299.8","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 N4 O3 -","- C22 H20 N4 O3 -","- C88 H80 N16 O12 -","4","1","","Nunes Costa, Rogeria; Choquesillo-Lazarte, Duane; Cuffini, Silvia Lucia; Pidcock, Elna; Infantes, Lourdes","Invitation to Submit: The Cambridge Structural Database - A wealth of knowledge gained from a million structures Optimization and comparison of statistical tools for the prediction of multicomponent forms of a molecule: the antiretroviral Nevirapine as a case study","CrystEngComm","2020","","","","","10.1039/D0CE00948B","","","0.71073","MoKα","","0.1339","0.0609","","","0.1165","0.1396","","","","","","1.038","","","","has coordinates,has disorder","255887","2020-10-21","18:00:00",""
"7241179","7.2706","0.0014","9.5902","0.0019","11.881","0.002","96.11","0.03","92.79","0.03","98.34","0.03","813.3","0.3","296.15","","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C18.5 H17 N4 O2.5 -","- C18.5 H17 N4 O2.5 -","- C37 H34 N8 O5 -","2","1","","Nunes Costa, Rogeria; Choquesillo-Lazarte, Duane; Cuffini, Silvia Lucia; Pidcock, Elna; Infantes, Lourdes","Invitation to Submit: The Cambridge Structural Database - A wealth of knowledge gained from a million structures Optimization and comparison of statistical tools for the prediction of multicomponent forms of a molecule: the antiretroviral Nevirapine as a case study","CrystEngComm","2020","","","","","10.1039/D0CE00948B","","","1.54178","CuKα","","0.1332","0.0667","","","0.1582","0.2086","","","","","","1.025","","","","has coordinates,has disorder","255887","2020-10-21","18:00:00",""
"7241180","7.101","0.0003","9.4938","0.0004","12.0005","0.0005","95.619","0.002","92.881","0.002","99.035","0.002","793.37","0.06","120.04","","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C18.5 H17 N4 O3 -","- C18.5 H17 N4 O3 -","- C37 H34 N8 O6 -","2","1","","Nunes Costa, Rogeria; Choquesillo-Lazarte, Duane; Cuffini, Silvia Lucia; Pidcock, Elna; Infantes, Lourdes","Invitation to Submit: The Cambridge Structural Database - A wealth of knowledge gained from a million structures Optimization and comparison of statistical tools for the prediction of multicomponent forms of a molecule: the antiretroviral Nevirapine as a case study","CrystEngComm","2020","","","","","10.1039/D0CE00948B","","","1.54178","CuKα","","0.1395","0.0863","","","0.2049","0.2485","","","","","","1.089","","","","has coordinates,has disorder","255887","2020-10-21","18:00:00",""
"7241181","28.153","0.005","7.245","0.0005","21.869","0.003","90","","120.14","0.01","90","","3857.5","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H11 N O8 Tb -","- C19 H11 N O8 Tb -","- C152 H88 N8 O64 Tb8 -","8","1","","Li, Zhang; Zhan, ZhiYing; Hu, Ming","A luminescent terbium coordination polymer as a multifunctional water-stable sensor for detection of Pb2+ ions, PO43- ions, Cr2O72- ions, and some amino acids","CrystEngComm","2020","","","","","10.1039/D0CE01101K","","","1.54184","CuKα","","0.0649","0.053","","","0.1464","0.1707","","","","","","1.081","","","","has coordinates","255888","2020-10-21","18:00:00",""
"7241182","7.8466","0.0002","9.8257","0.0003","20.3107","0.0007","90","","90","","90","","1565.92","0.08","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1-methylhydantoin","1-methylimidazolidine-2,4-dione","","- C4 H6 N2 O2 -","- C4 H6 N2 O2 -","- C48 H72 N24 O24 -","12","3","","Nogueira, Bernardo Albuquerque; Milani, Alberto; Ogruc Ildiz, Gulce; Paixão, José; Castiglioni, Chiara; Fausto, Rui","Polymorphism in 1-Methylhydantoin: Investigation by Periodic DFT Calculations and Characterization of the Third Polymorph","CrystEngComm","2020","","","","","10.1039/D0CE01016B","","","0.71073","MoKα","","0.0598","0.0371","","","0.0829","0.0928","","","","","","1.045","","","","has coordinates","255909","2020-10-21","18:00:00",""
"7241183","11.8019","0.0001","5.804","","22.3747","0.0002","90","","90","","90","","1532.63","0.019","297","0.3","297","0.3","","","","","","","","5","P n a 21","P 2c -2n","33","","C18H15NO3S","","- C18 H15 N O3 S -","- C18 H15 N O3 S -","- C72 H60 N4 O12 S4 -","4","1","","Gao, Mingxiao; Zhang, Xinyuan; Guo, Yangwu; Yao, Jiyong; Zhang, Guochun; Hu, Zhanggui; Wu, Yicheng","Rational Structure Design of Isoxazolone-based Crystals with Large Second-Order Optical Nonlinearity","CrystEngComm","2020","","","","","10.1039/D0CE01100B","","","1.54178","CuKα","","0.0287","0.0282","","","0.0724","0.0729","","","","","","1.067","","","","has coordinates","255910","2020-10-21","18:00:00",""
"7241184","26.8338","0.0004","5.8195","0.0001","11.9509","0.0002","90","","104.299","0.001","90","","1808.43","0.05","296.7","0.4","296.7","0.4","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C24 H17 N O3 -","- C24 H17 N O3 -","- C96 H68 N4 O12 -","4","1","","Gao, Mingxiao; Zhang, Xinyuan; Guo, Yangwu; Yao, Jiyong; Zhang, Guochun; Hu, Zhanggui; Wu, Yicheng","Rational Structure Design of Isoxazolone-based Crystals with Large Second-Order Optical Nonlinearity","CrystEngComm","2020","","","","","10.1039/D0CE01100B","","","1.54178","CuKα","","0.0285","0.0283","","","0.082","0.0824","","","","","","1.082","","","","has coordinates","255910","2020-10-21","18:00:00",""
"7241187","12.8756","0.0006","17.0258","0.0007","14.8329","0.0008","90","","101.033","0.005","90","","3191.5","0.3","293","2","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H26 N2 O16 Zn3 -","- C29 H26 N2 O16 Zn3 -","- C116 H104 N8 O64 Zn12 -","4","1","","Chen, Junling; Li, Bo; Shi, Zhen-Zhen; He, Cheng; Duan, Chunying; Zhang, Tiexin; Wang, Liya","Crystal engineering of coordination-polymer-based iodine absorbents using π-electron-rich polycarboxylate aryl ether ligand","CrystEngComm","2020","","","","","10.1039/D0CE01004A","","x-ray","0.71073","MoKα","","0.0456","0.0343","","","0.0796","0.0837","","","","","","1.04","","","","has coordinates,has disorder","256210","2020-10-21","18:00:00",""
"7241188","10.2531","0.0002","12.2578","0.0003","15.779","0.0004","101.524","0.002","92.146","0.002","102.223","0.002","1892.49","0.08","105","3","100","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H12 I0.52 O14 Zn3 -","- C23 H12 I0.5231 O14 Zn3 -","- C46 H24 I1.0462 O28 Zn6 -","2","1","","Chen, Junling; Li, Bo; Shi, Zhen-Zhen; He, Cheng; Duan, Chunying; Zhang, Tiexin; Wang, Liya","Crystal engineering of coordination-polymer-based iodine absorbents using π-electron-rich polycarboxylate aryl ether ligand","CrystEngComm","2020","","","","","10.1039/D0CE01004A","","","0.71073","MoKα","","0.0503","0.0408","","","0.1174","0.1217","","","","","","1.078","","","","has coordinates","256210","2020-10-21","18:00:00",""
"7241189","10.12","0.0005","12.3807","0.0006","15.6793","0.0008","79.3","0.001","87.854","0.002","75.715","0.001","1870.59","0.16","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H12 O14 Zn3 -","- C23 H12 O14 Zn3 -","- C46 H24 O28 Zn6 -","2","1","","Chen, Junling; Li, Bo; Shi, Zhen-Zhen; He, Cheng; Duan, Chunying; Zhang, Tiexin; Wang, Liya","Crystal engineering of coordination-polymer-based iodine absorbents using π-electron-rich polycarboxylate aryl ether ligand","CrystEngComm","2020","","","","","10.1039/D0CE01004A","","","0.71073","MoKα","","0.0628","0.0443","","","0.1028","0.1084","","","","","","1.043","","","","has coordinates,has disorder","256210","2020-10-21","18:00:00",""
"7241190","17.6198","0.0004","11.9264","0.0003","14.1457","0.0004","90","","90","","90","","2972.59","0.13","293","2","293","","","","","","","","","4","P m n 21","P 2ac -2","31","","","","- C23 H18 O17 Zn3 -","- C23 H18 O17 Zn3 -","- C46 H36 O34 Zn6 -","2","0.5","","Chen, Junling; Li, Bo; Shi, Zhen-Zhen; He, Cheng; Duan, Chunying; Zhang, Tiexin; Wang, Liya","Crystal engineering of coordination-polymer-based iodine absorbents using π-electron-rich polycarboxylate aryl ether ligand","CrystEngComm","2020","","","","","10.1039/D0CE01004A","","x-ray","0.71073","MoKα","","0.0528","0.0381","","","0.087","0.0928","","","","","","1.001","","","","has coordinates,has disorder","256210","2020-10-21","18:00:00",""
"7241191","6.1202","0.0005","6.1202","0.0005","3.6957","0.0003","90","","90","","120","","119.883","0.017","173","2","173","","","","","","","","","4","P 63/m","-P 6c","176","","","","- Bi F3 H2 O -","- Bi F3 H2.0004 O -","- Bi2 F6 H4.0008 O2 -","2","0.166667","","Liu, Xian; Yang, Can; Wu, Qi; Sun, Juan; Liang, Fei","From BiF3 to BiF3·H2O: Diverse Bi(Ⅲ) Coordination for Structural Transformation and Birefringence Regulation","CrystEngComm","2020","","","","","10.1039/D0CE01213K","","","0.71073","MoKα","","0.0419","0.0371","","","0.0878","0.0921","","","","","","1.298","","","","has coordinates","256237","2020-10-21","18:00:00",""
"7241192","14.865","0.002","15.836","0.003","19.119","0.003","84.748","0.004","89.922","0.004","87.094","0.004","4476","1.3","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C80 H50 Cd4 N10 O22 -","- C82 H50 Cd4 N8 O22 -","- C164 H100 Cd8 N16 O44 -","2","1","","Guo, Ruihong; Gao, Lingling; Liang, Jinxia; Zhang, Zhikai; Zhang, Jie; Niu, Xiao-Yan; Hu, Tuoping","Two tetranuclear Cd-based metal-organic frameworks for sensitive sensing of TNP/Fe3+ in aqueous medium and gas adsorption","CrystEngComm","2020","","","","","10.1039/D0CE01193B","","","0.71073","MoKα","","0.1267","0.0675","","","0.1607","0.187","","","","","","1.031","","","","has coordinates","256238","2020-10-21","18:00:00",""
"7241193","11.6552","0.0004","14.9367","0.0007","19.7696","0.0008","90","","102.314","0.001","90","","3362.5","0.2","150.15","","150.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H22 Cd2 N4 O11 -","- C35 H22 Cd2 N4 O11 -","- C140 H88 Cd8 N16 O44 -","4","1","","Guo, Ruihong; Gao, Lingling; Liang, Jinxia; Zhang, Zhikai; Zhang, Jie; Niu, Xiao-Yan; Hu, Tuoping","Two tetranuclear Cd-based metal-organic frameworks for sensitive sensing of TNP/Fe3+ in aqueous medium and gas adsorption","CrystEngComm","2020","","","","","10.1039/D0CE01193B","","","0.71073","MoKα","","0.0536","0.043","","","0.0834","0.0865","","","","","","1.147","","","","has coordinates,has disorder","256238","2020-10-21","18:00:00",""
"7241194","9.8032","0.0004","18.8923","0.0008","22.6814","0.0007","90","","90","","90","","4200.7","0.3","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H20 N2 O8 Zn -","- C22 H20 N2 O8 Zn -","- C176 H160 N16 O64 Zn8 -","8","1","","Chen, Man-Ting; Xie, Xiao-Dan; Meng, Jin-Xiu; Ou, Yong-Cong; Wu, Jian-Zhong; Tong, Ming-Liang","Tunable Photoluminescence in Flexible Carboxylate Ligands-Based Coordination Polymers with Interesting Topologies and Fe3+ Sensitivity","CrystEngComm","2020","","","","","10.1039/D0CE01043J","","","1.54178","CuKα","","0.1015","0.0768","","","0.2002","0.224","","","","","","1.039","","","","has coordinates,has disorder","256289","2020-10-21","18:00:00",""
"7241195","12.2574","0.0006","13.4329","0.0006","18.4947","0.0008","90","","94.667","0.002","90","","3035.1","0.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H16 O12 Zn2 -","- C10 H15.5 O12 Zn2 -","- C80 H124 O96 Zn16 -","8","1","","Chen, Man-Ting; Xie, Xiao-Dan; Meng, Jin-Xiu; Ou, Yong-Cong; Wu, Jian-Zhong; Tong, Ming-Liang","Tunable Photoluminescence in Flexible Carboxylate Ligands-Based Coordination Polymers with Interesting Topologies and Fe3+ Sensitivity","CrystEngComm","2020","","","","","10.1039/D0CE01043J","","","0.71073","MoKα","","0.0484","0.0348","","","0.0775","0.0837","","","","","","1.06","","","","has coordinates,has disorder","256289","2020-10-21","18:00:00",""
"7241196","8.1309","0.0009","11.1211","0.0011","12.0204","0.0011","82.746","0.008","82.652","0.008","83.543","0.008","1064.25","0.19","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H25 N3 O9 Zn -","- C20 H25 N3 O9 Zn -","- C40 H50 N6 O18 Zn2 -","2","1","","Chen, Man-Ting; Xie, Xiao-Dan; Meng, Jin-Xiu; Ou, Yong-Cong; Wu, Jian-Zhong; Tong, Ming-Liang","Tunable Photoluminescence in Flexible Carboxylate Ligands-Based Coordination Polymers with Interesting Topologies and Fe3+ Sensitivity","CrystEngComm","2020","","","","","10.1039/D0CE01043J","","","0.71073","MoKα","","0.0556","0.0468","","","0.1098","0.1167","","","","","","1.046","","","","has coordinates","256289","2020-10-21","18:00:00",""
"7241197","8.6953","0.0014","10.2001","0.0011","16.7973","0.0018","90","","104.53","0.012","90","","1442.2","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 N O8 Zn2 -","- C15 H12 N O8 Zn2 -","- C60 H48 N4 O32 Zn8 -","4","1","","Chen, Man-Ting; Xie, Xiao-Dan; Meng, Jin-Xiu; Ou, Yong-Cong; Wu, Jian-Zhong; Tong, Ming-Liang","Tunable Photoluminescence in Flexible Carboxylate Ligands-Based Coordination Polymers with Interesting Topologies and Fe3+ Sensitivity","CrystEngComm","2020","","","","","10.1039/D0CE01043J","","","1.54178","CuKα","","0.0445","0.0314","","","0.0655","0.0682","","","","","","0.906","","","","has coordinates","256289","2020-10-21","18:00:00",""
"7241198","25.1315","0.0006","11.8428","0.0003","15.9866","0.0003","90","","90","","90","","4758.05","0.19","100","2","100","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C20 H20 N2 O4 Zn -","- C20 H20 N2 O4 Zn -","- C160 H160 N16 O32 Zn8 -","8","1","","Chen, Man-Ting; Xie, Xiao-Dan; Meng, Jin-Xiu; Ou, Yong-Cong; Wu, Jian-Zhong; Tong, Ming-Liang","Tunable Photoluminescence in Flexible Carboxylate Ligands-Based Coordination Polymers with Interesting Topologies and Fe3+ Sensitivity","CrystEngComm","2020","","","","","10.1039/D0CE01043J","","","1.54178","CuKα","","0.0697","0.0617","","","0.1989","0.2106","","","","","","1.059","","","","has coordinates","256289","2020-10-21","18:00:00",""
"7241199","15.252","0.004","11.926","0.002","10.272","0.004","90","","108.83","0.03","90","","1768.4","0.9","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Br2 N2 O4 -","- C18 H14 Br2 N2 O4 -","- C72 H56 Br8 N8 O16 -","4","1","","Rok, Magdalena; Moskwa, Marcin; Dopieralski, Przemyslaw; Medycki, Wojciech; Zamponi, Michaela; Bator, Grazyna","The influence of structure on the methyl group dynamics of the polymorphic complexes: 6,6'-dimethyl-2,2'-dipyridyl with halo derivatives of benzoquinone acids","CrystEngComm","2020","","","","","10.1039/D0CE00973C","","","0.71073","MoKα","","0.0499","0.0429","","","0.1098","0.1158","","","","","","1.031","","","","has coordinates","256291","2020-10-21","18:00:00",""
"7241200","10.026","0.002","10.281","0.002","10.526","0.002","110.26","0.02","92.56","0.02","113.13","0.02","915.3","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H14 I2 N2 O4 -","- C18 H14 I2 N2 O4 -","- C36 H28 I4 N4 O8 -","2","1","","Rok, Magdalena; Moskwa, Marcin; Dopieralski, Przemyslaw; Medycki, Wojciech; Zamponi, Michaela; Bator, Grazyna","The influence of structure on the methyl group dynamics of the polymorphic complexes: 6,6'-dimethyl-2,2'-dipyridyl with halo derivatives of benzoquinone acids","CrystEngComm","2020","","","","","10.1039/D0CE00973C","","","0.71073","MoKα","","0.0205","0.0193","","","0.0531","0.0541","","","","","","1.067","","","","has coordinates","256291","2020-10-21","18:00:00",""
"7241201","7.792","0.004","9.705","0.003","9.938","0.005","94.41","0.04","106.41","0.05","110.28","0.03","663.3","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H13 Br N2 O2 -","- C15 H13 Br N2 O2 -","- C30 H26 Br2 N4 O4 -","2","1","","Rok, Magdalena; Moskwa, Marcin; Dopieralski, Przemyslaw; Medycki, Wojciech; Zamponi, Michaela; Bator, Grazyna","The influence of structure on the methyl group dynamics of the polymorphic complexes: 6,6'-dimethyl-2,2'-dipyridyl with halo derivatives of benzoquinone acids","CrystEngComm","2020","","","","","10.1039/D0CE00973C","","","0.71073","MoKα","","0.0295","0.0259","","","0.0544","0.0556","","","","","","1.047","","","","has coordinates","256291","2020-10-21","18:00:00",""
"7241205","27.1581","0.0011","27.1581","0.0011","10.8428","0.0005","90","","90","","90","","7997.2","0.6","150","2","150","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C22 H14 O5 Pb2 -","- C22 H14 O5 Pb2 -","- C352 H224 O80 Pb32 -","16","1","","Hammer, Arden C.; Jia, Xiwen; Zeller, Matthias; Coughlin, Ezra John; Zhang, Weiguo; Oertel, Catherine M.","Ligand Geometry Directs the Packing and Symmetry of One-Dimensional Helical Motifs in Lead Oxide Naphthoates and Biphenylcarboxylates","CrystEngComm","2020","","","","","10.1039/D0CE01150A","","","0.71073","MoKα","","0.0441","0.0314","","","0.0621","0.0696","","","","","","1.142","","","","has coordinates","256335","2020-10-21","18:00:00",""
"7241206","30.3539","0.0011","10.9884","0.0004","30.8061","0.0011","90","","113.913","0.0013","90","","9393.1","0.6","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C52 H36 O10 Pb4 -","- C52 H36 O10 Pb4 -","- C416 H288 O80 Pb32 -","8","2","","Hammer, Arden C.; Jia, Xiwen; Zeller, Matthias; Coughlin, Ezra John; Zhang, Weiguo; Oertel, Catherine M.","Ligand Geometry Directs the Packing and Symmetry of One-Dimensional Helical Motifs in Lead Oxide Naphthoates and Biphenylcarboxylates","CrystEngComm","2020","","","","","10.1039/D0CE01150A","","","1.54178","CuKα","","0.0309","0.0271","","","0.0624","0.0644","","","","","","1.077","","","","has coordinates,has disorder","256335","2020-10-21","18:00:00",""
"7241207","11.0324","0.0008","50.385","0.004","16.6466","0.0014","90","","96.0445","0.0016","90","","9201.9","1.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 O5 Pb2 -","- C26 H18 O5 Pb2 -","- C416 H288 O80 Pb32 -","16","4","","Hammer, Arden C.; Jia, Xiwen; Zeller, Matthias; Coughlin, Ezra John; Zhang, Weiguo; Oertel, Catherine M.","Ligand Geometry Directs the Packing and Symmetry of One-Dimensional Helical Motifs in Lead Oxide Naphthoates and Biphenylcarboxylates","CrystEngComm","2020","","","","","10.1039/D0CE01150A","","","0.71073","MoKα","","0.0627","0.0387","","","0.0818","0.0929","","","","","","1.034","","","","has coordinates,has disorder","256335","2020-10-21","18:00:00",""
"7241208","35.3686","0.0018","10.869","0.0005","27.3181","0.0013","90","","127.839","0.0016","90","","8293.5","0.7","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C176 H112 O41.42 Pb16 -","- C176 H114.488 O41.244 Pb16 -","- C352 H228.976 O82.488 Pb32 -","2","0.25","","Hammer, Arden C.; Jia, Xiwen; Zeller, Matthias; Coughlin, Ezra John; Zhang, Weiguo; Oertel, Catherine M.","Ligand Geometry Directs the Packing and Symmetry of One-Dimensional Helical Motifs in Lead Oxide Naphthoates and Biphenylcarboxylates","CrystEngComm","2020","","","","","10.1039/D0CE01150A","","","0.71073","MoKα","","0.0275","0.0235","","","0.0528","0.0541","","","","","","1.123","","","","has coordinates","256335","2020-10-21","18:00:00",""
"7241209","21.255","0.003","21.255","0.003","10.872","0.0008","90","","90","","90","","4911.7","1","296","2","296","2","","","","","","","","4","P 41","P 4w","76","","","","- C26 H18 O5 Pb2 -","- C26 H18 O5 Pb2 -","- C208 H144 O40 Pb16 -","8","2","","Hammer, Arden C.; Jia, Xiwen; Zeller, Matthias; Coughlin, Ezra John; Zhang, Weiguo; Oertel, Catherine M.","Ligand Geometry Directs the Packing and Symmetry of One-Dimensional Helical Motifs in Lead Oxide Naphthoates and Biphenylcarboxylates","CrystEngComm","2020","","","","","10.1039/D0CE01150A","","","0.71073","MoKα","","0.0623","0.0335","","","0.068","0.0746","","","","","","0.956","","","","has coordinates,has disorder","256335","2020-10-21","18:00:00",""
"7241210","13.6803","0.0013","13.8392","0.0013","14.6811","0.0015","101.399","0.002","99.384","0.002","116.889","0.002","2326.6","0.4","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H40 Cd1.5 N5 O9 -","- C42 H40 Cd1.5 N5 O9 -","- C84 H80 Cd3 N10 O18 -","2","1","","Wang, Xiuli; Liu, Yu; Lin, Hongyan; Xu, Na; Liu, Guocheng; Wang, Xiang; Chang, Zhi-Han; Li, Jianrong","A novel cadmium metal-organic framework-based multiresponsive fluorescent sensor demonstrating the outstanding sensitivities and selectivities for detecting NB, Fe3+ ions and Cr2O72− anions","CrystEngComm","2020","","","","","10.1039/D0CE01139H","","x-ray","0.71073","MoKα","","0.0638","0.0402","","","0.0905","0.1002","","","","","","1.047","","","","has coordinates","256336","2020-10-21","18:00:00",""
"7241211","9.8569","0.0008","18.7251","0.0016","16.023","0.0014","90","","98.831","0.003","90","","2922.3","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 Cd N4 O9 -","- C30 H30 Cd N4 O9 -","- C120 H120 Cd4 N16 O36 -","4","1","","Chen, Chia-Jou; Lee, Wei-Te; Hu, Ji-Hong; Mahat Chhetri, Pradhumna; Chen, Jhy-Der","Structural Diversity and Modification in Ni(II) Coordination Polymers: Peculiar Phenomenon of Reversible Structural Transformation between 1D Ladder and 2D Layer","CrystEngComm","2020","","","","","10.1039/D0CE01170C","","","0.71073","MoKα","","0.0384","0.0289","","","0.066","0.0705","","","","","","1.053","","","","has coordinates,has disorder","256337","2020-10-21","18:00:00",""
"7241212","10.0292","0.0004","11.1247","0.0005","15.8806","0.0007","92.7397","0.0015","90.0977","0.0014","104.7","0.0013","1711.7","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H32 N4 Ni O9 -","- C30 H26 N4 Ni O9 -","- C60 H52 N8 Ni2 O18 -","2","1","","Chen, Chia-Jou; Lee, Wei-Te; Hu, Ji-Hong; Mahat Chhetri, Pradhumna; Chen, Jhy-Der","Structural Diversity and Modification in Ni(II) Coordination Polymers: Peculiar Phenomenon of Reversible Structural Transformation between 1D Ladder and 2D Layer","CrystEngComm","2020","","","","","10.1039/D0CE01170C","","","0.71073","MoKα","","0.0754","0.0629","","","0.1713","0.1803","","","","","","1.076","","","","has coordinates,has disorder","256337","2020-10-21","18:00:00",""
"7241213","21.5344","0.0003","10.2575","0.0001","18.2419","0.0002","90","","95.4191","0.0006","90","","4011.43","0.08","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H19 N2 O5 Zn -","- C21 H19 N2 O5 Zn -","- C168 H152 N16 O40 Zn8 -","8","1","","Chen, Chia-Jou; Lee, Wei-Te; Hu, Ji-Hong; Mahat Chhetri, Pradhumna; Chen, Jhy-Der","Structural Diversity and Modification in Ni(II) Coordination Polymers: Peculiar Phenomenon of Reversible Structural Transformation between 1D Ladder and 2D Layer","CrystEngComm","2020","","","","","10.1039/D0CE01170C","","","0.71073","MoKα","","0.0429","0.0353","","","0.0885","0.0927","","","","","","1.057","","","","has coordinates,has disorder","256337","2020-10-21","18:00:00",""
"7241214","14.5085","0.0005","16.3024","0.0005","15.659","0.0005","90","","113.583","0.002","90","","3394.4","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H38 N4 Ni O9 -","- C33 H38 N4 Ni O9 -","- C132 H152 N16 Ni4 O36 -","4","1","","Chen, Chia-Jou; Lee, Wei-Te; Hu, Ji-Hong; Mahat Chhetri, Pradhumna; Chen, Jhy-Der","Structural Diversity and Modification in Ni(II) Coordination Polymers: Peculiar Phenomenon of Reversible Structural Transformation between 1D Ladder and 2D Layer","CrystEngComm","2020","","","","","10.1039/D0CE01170C","","","0.71073","MoKα","","0.1395","0.0694","","","0.1721","0.2023","","","","","","1.012","","","","has coordinates,has disorder","256337","2020-10-21","18:00:00",""
"7241215","31.829","0.003","9.6745","0.001","25.802","0.003","90","","110.736","0.006","90","","7430.5","1.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H42 N6 Ni O11.5 -","- C39 H42 N6 Ni O11.5 -","- C312 H336 N48 Ni8 O92 -","8","1","","Chen, Chia-Jou; Lee, Wei-Te; Hu, Ji-Hong; Mahat Chhetri, Pradhumna; Chen, Jhy-Der","Structural Diversity and Modification in Ni(II) Coordination Polymers: Peculiar Phenomenon of Reversible Structural Transformation between 1D Ladder and 2D Layer","CrystEngComm","2020","","","","","10.1039/D0CE01170C","","","0.71073","MoKα","","0.0775","0.0524","","","0.1265","0.1394","","","","","","1.032","","","","has coordinates,has disorder","256337","2020-10-21","18:00:00",""
"7241220","7.7192","0.0003","18.9505","0.0007","19.3675","0.0012","90","","98.008","0.005","90","","2805.5","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10.5 H14 Cd N0 O8 -","- C10.5 H14 Cd O8 -","- C84 H112 Cd8 O64 -","8","1","","Liu, Hou-Ting; Li, Rong-Yun; Lu, Jing; Liu, Zhiliang; Wang, Suna; Tian, Haiquan","Proton conduction studies on four porous and nonporous coordination polymers with different acidity and water uptake","CrystEngComm","2020","","","","","10.1039/D0CE01197E","","","1.54184","CuKα","","0.066","0.0541","","","0.1446","0.1546","","","","","","1.068","","","","has coordinates,has disorder","256372","2020-10-21","18:00:00",""
"7241221","9.7846","0.0006","15.8653","0.001","16.2608","0.0014","65.276","0.007","83.245","0.006","73.817","0.005","2202","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H34 Br4 N4 Ni2 O13 -","- C41 H34 Br4 N4 Ni2 O13 -","- C82 H68 Br8 N8 Ni4 O26 -","2","1","","Liu, Hou-Ting; Li, Rong-Yun; Lu, Jing; Liu, Zhiliang; Wang, Suna; Tian, Haiquan","Proton conduction studies on four porous and nonporous coordination polymers with different acidity and water uptake","CrystEngComm","2020","","","","","10.1039/D0CE01197E","","","1.54184","CuKα","","0.1229","0.065","","","0.1547","0.1908","","","","","","1.003","","","","has coordinates","256372","2020-10-21","18:00:00",""
"7241222","8.3958","0.0008","12.1818","0.0011","15.1802","0.0014","102.597","0.008","95.828","0.008","94.332","0.008","1499.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H30 N2 Ni O12 -","- C31 H30 N2 Ni O12 -","- C62 H60 N4 Ni2 O24 -","2","1","","Liu, Hou-Ting; Li, Rong-Yun; Lu, Jing; Liu, Zhiliang; Wang, Suna; Tian, Haiquan","Proton conduction studies on four porous and nonporous coordination polymers with different acidity and water uptake","CrystEngComm","2020","","","","","10.1039/D0CE01197E","","","1.54184","CuKα","","0.1395","0.0721","","","0.1714","0.2108","","","","","","0.876","","","","has coordinates","256372","2020-10-21","18:00:00",""
"7241223","14.8925","0.0019","11.1228","0.0013","18.0572","0.0018","90","","91.812","0.01","90","","2989.6","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15.5 H15 Cd0 Co0.5 N O6 -","- C15.5 H15 Co0.5 N O6 -","- C124 H120 Co4 N8 O48 -","8","1","","Liu, Hou-Ting; Li, Rong-Yun; Lu, Jing; Liu, Zhiliang; Wang, Suna; Tian, Haiquan","Proton conduction studies on four porous and nonporous coordination polymers with different acidity and water uptake","CrystEngComm","2020","","","","","10.1039/D0CE01197E","","","1.54184","CuKα","","0.063","0.0464","","","0.109","0.1188","","","","","","1.034","","","","has coordinates","256372","2020-10-21","18:00:00",""
"7241238","7.7293","0.0017","10.047","0.002","10.55","0.003","114.942","0.003","91.849","0.002","95.634","0.003","736.8","0.3","183","2","183.15","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H22 Cd2 N18 O20 -","- C16 H22 Cd2 N18 O20 -","- C16 H22 Cd2 N18 O20 -","1","0.5","","Tong, Wenchao; Bian, Mei; Feng, Yongan; Zhang, Tonglai; Hu, Shuangqi; Yang, Li","A Highly Stable Octa-coordinated Energetic Complex","CrystEngComm","2020","","","","","10.1039/D0CE01008A","","","0.71073","MoKα","","0.0325","0.0285","","","0.0673","0.0692","","","","","","0.9992","","","","has coordinates","256415","2020-10-21","18:00:00",""
"7241241","14.764","0.003","14.966","0.003","16.677","0.004","67.348","0.007","79.935","0.007","78.053","0.009","3308.5","1.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C75 H77 N O8 S4 -","- C75 H77 N O8 S4 -","- C150 H154 N2 O16 S8 -","2","1","","Gabdulkhaev, Mukhammet Nafisovich; Ziganshin, Marat; Buzyurov, Aleksey V.; Schick, Christoph; Solovieva, Svetlana; Popova, Elena; Gubaidullin, Aidar Timergalievich; Gorbatchuk, Valery","Smart control of calixarene polymorphic states","CrystEngComm","2020","","","","","10.1039/D0CE01070G","","","0.71073","MoKα","","0.1783","0.0837","","","0.1458","0.1832","","","","","","0.932","","","","has coordinates","256444","2020-10-21","18:00:00",""
"7241242","10.5051","0.0014","13.538","0.002","22.658","0.003","77.015","0.007","88.249","0.008","88.725","0.009","3138.1","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H72 O8 S4 -","- C72 H72 O8 S4 -","- C144 H144 O16 S8 -","2","1","","Gabdulkhaev, Mukhammet Nafisovich; Ziganshin, Marat; Buzyurov, Aleksey V.; Schick, Christoph; Solovieva, Svetlana; Popova, Elena; Gubaidullin, Aidar Timergalievich; Gorbatchuk, Valery","Smart control of calixarene polymorphic states","CrystEngComm","2020","","","","","10.1039/D0CE01070G","","","0.71073","MoKα","","0.2843","0.0859","","","0.1079","0.1552","","","","","","0.891","","","","has coordinates","256444","2020-10-21","18:00:00",""
"7241243","14.8427","0.0007","14.9332","0.0007","17.2153","0.0008","68.192","0.001","81.105","0.001","74.912","0.001","3413.4","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C74 H78 O9 S4 -","- C74 H78 O9 S4 -","- C148 H156 O18 S8 -","2","1","","Gabdulkhaev, Mukhammet Nafisovich; Ziganshin, Marat; Buzyurov, Aleksey V.; Schick, Christoph; Solovieva, Svetlana; Popova, Elena; Gubaidullin, Aidar Timergalievich; Gorbatchuk, Valery","Smart control of calixarene polymorphic states","CrystEngComm","2020","","","","","10.1039/D0CE01070G","","","0.71073","MoKα","","0.1597","0.0729","","","0.1867","0.2339","","","","","","1.034","","","","has coordinates,has disorder","256444","2020-10-21","18:00:00",""
"7241244","14.832","0.0013","14.9045","0.0014","17.2172","0.0014","68.262","0.004","81.191","0.004","74.94","0.004","3407.1","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H75 N O8 S4 -","- C74 H75 N O8 S4 -","- C148 H150 N2 O16 S8 -","2","1","","Gabdulkhaev, Mukhammet Nafisovich; Ziganshin, Marat; Buzyurov, Aleksey V.; Schick, Christoph; Solovieva, Svetlana; Popova, Elena; Gubaidullin, Aidar Timergalievich; Gorbatchuk, Valery","Smart control of calixarene polymorphic states","CrystEngComm","2020","","","","","10.1039/D0CE01070G","","","0.71073","MoKα","","0.1936","0.0784","","","0.2043","0.2788","","","","","","0.985","","","","has coordinates,has disorder","256444","2020-10-21","18:00:00",""
"7241245","7.2703","0.0013","9.7597","0.0017","11.424","0.002","104.565","0.015","103.831","0.015","99.589","0.014","739.3","0.2","120","2","120","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","<i>catena</i>-[aqua(<i>μ</i>~3~-thiophene-2-acetato-κ^4^O:O,O?:O?)\ (thiophene-2-acetato-κ^2^O,O?)lead(II)]","","- C12 H12 O5 Pb S2 -","- C12 H12 O5 Pb S2 -","- C24 H24 O10 Pb2 S4 -","2","1","","Kowalik, Mateusz; Masternak, Joanna; Kazimierczuk, Katarzyna; Kupcewicz, Bogumila; Khavryuchenko , Oleksiy; Barszcz, Barbara","Exploring thiophene-2-acetate and thiophene-3-acetate binding modes towards the molecular, supramolecular structures and photoluminescence properties of Pb(II) polymers","CrystEngComm","2020","","","","","10.1039/D0CE01224F","","x-ray","0.71073","MoKα","","0.0307","0.0281","","","0.0727","0.075","","","","","","1.081","","","","has coordinates","256445","2020-10-21","18:00:00",""
"7241246","16.8469","0.0018","10.3757","0.0007","7.8131","0.0009","90","","101.473","0.009","90","","1338.4","0.2","120","","120","2","","","","","","","synthesis as described","5","I 1 2/a 1","-I 2ya","15","","<i>catena</i>-[bis(<i>μ</i>~2~-thiophene-3-acetato-κ^3^O:O,O?)lead(II)]","","- C12 H10 O4 Pb S2 -","- C12 H10 O4 Pb S2 -","- C48 H40 O16 Pb4 S8 -","4","0.5","","Kowalik, Mateusz; Masternak, Joanna; Kazimierczuk, Katarzyna; Kupcewicz, Bogumila; Khavryuchenko , Oleksiy; Barszcz, Barbara","Exploring thiophene-2-acetate and thiophene-3-acetate binding modes towards the molecular, supramolecular structures and photoluminescence properties of Pb(II) polymers","CrystEngComm","2020","","","","","10.1039/D0CE01224F","","x-ray","0.71073","MoKα","","0.04","0.0397","","","0.1062","0.1065","","","","","","1.123","","","","has coordinates,has disorder","256445","2020-10-21","18:00:00",""
"7241247","18.5851","0.0015","10.793","0.0009","8.4692","0.0007","90","","109.727","0.0015","90","","1599.1","0.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H8 Mn N2 O6 -","- C4 H8 Mn N2 O6 -","- C32 H64 Mn8 N16 O48 -","8","1","","Lin, Chen-Lan; Chen, Yan-Fei; Qiu, Li-Jun; Zhu, Binglong; Wang, Xin; Luo, Shi-Peng; shi, wenyan; Yang, Ting-Hai; Lei, Wu","Synthesis, structure and photocatalytic properties of coordination polymers based on pyrazole carboxylic acid ligand","CrystEngComm","2020","","","","","10.1039/D0CE01054E","","","0.71073","MoKα","","0.0465","0.0369","","","0.0982","0.1342","","","","","","1.085","","","","has coordinates","256446","2020-10-21","18:00:00",""
"7241248","11.2775","0.0016","10.9894","0.0016","8.5532","0.0012","90","","92.916","0.002","90","","1058.7","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H11 Cd N3 O5 -","- C7 H11 Cd N3 O5 -","- C28 H44 Cd4 N12 O20 -","4","1","","Lin, Chen-Lan; Chen, Yan-Fei; Qiu, Li-Jun; Zhu, Binglong; Wang, Xin; Luo, Shi-Peng; shi, wenyan; Yang, Ting-Hai; Lei, Wu","Synthesis, structure and photocatalytic properties of coordination polymers based on pyrazole carboxylic acid ligand","CrystEngComm","2020","","","","","10.1039/D0CE01054E","","","0.71073","MoKα","","0.0244","0.0204","","","0.0424","0.0433","","","","","","1.122","","","","has coordinates,has disorder","256446","2020-10-21","18:00:00",""
"7241249","5.4281","0.0008","12.4749","0.0018","9.1341","0.0014","90","","98.476","0.003","90","","611.76","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 Cu N4 O8 -","- C8 H10 Cu N4 O8 -","- C16 H20 Cu2 N8 O16 -","2","0.5","","Lin, Chen-Lan; Chen, Yan-Fei; Qiu, Li-Jun; Zhu, Binglong; Wang, Xin; Luo, Shi-Peng; shi, wenyan; Yang, Ting-Hai; Lei, Wu","Synthesis, structure and photocatalytic properties of coordination polymers based on pyrazole carboxylic acid ligand","CrystEngComm","2020","","","","","10.1039/D0CE01054E","","","0.71073","MoKα","","0.0406","0.0315","","","0.0871","0.1098","","","","","","1.021","","","","has coordinates","256446","2020-10-21","18:00:00",""
"7241250","9.13","0.0018","10.29","0.002","17.5","0.004","90.56","0.03","91.12","0.03","108.32","0.03","1560.2","0.6","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C64 H56 Co2 N8 O12 -","- C64 H56 Co2 N8 O12 -","- C64 H56 Co2 N8 O12 -","1","1","","Tay, Hui Min; Hua, Carol","Co(II) coordination polymers constructed from a bent chiral linker: influencing framework topology using co-ligands","CrystEngComm","2020","","","","","10.1039/D0CE01172J","","","0.71073","Synchrotron","","0.1136","0.0664","","","0.1598","0.1841","","","","","","1.024","","","","has coordinates,has disorder","256485","2020-10-21","18:00:00",""
"7241251","10.98","0.0003","12.1273","0.0003","15.692","0.0004","73.885","0.002","80.363","0.002","84.052","0.002","1975.47","0.09","100","0.1","100","0.02","","","","","","","","6","P 1","P 1","1","","","","- C72 H56 Co2 N11.96 O12 S4.04 -","- C72 H56 Co2 N11.96 O12 S4.04 -","- C72 H56 Co2 N11.96 O12 S4.04 -","1","1","","Tay, Hui Min; Hua, Carol","Co(II) coordination polymers constructed from a bent chiral linker: influencing framework topology using co-ligands","CrystEngComm","2020","","","","","10.1039/D0CE01172J","","","1.54184","CuKα","","0.1024","0.088","","","0.2359","0.2544","","","","","","1.03","","","","has coordinates,has disorder","256485","2020-10-21","18:00:00",""
"7241252","9.2097","0.0002","11.1836","0.0001","17.0964","0.0001","85.672","0.001","82.69","0.001","83.417","0.001","1731.75","0.04","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C71 H67 Co2 N9 O13 -","- C71 H67 Co2 N9 O13 -","- C71 H67 Co2 N9 O13 -","1","1","","Tay, Hui Min; Hua, Carol","Co(II) coordination polymers constructed from a bent chiral linker: influencing framework topology using co-ligands","CrystEngComm","2020","","","","","10.1039/D0CE01172J","","","1.54178","CuKα","","0.0723","0.0685","","","0.1871","0.1913","","","","","","1.08","","","","has coordinates,has disorder","256485","2020-10-21","18:00:00",""
"7241253","15.27","0.0002","15.7368","0.0001","17.1187","0.0002","88.158","0.001","75.094","0.001","86.414","0.001","3966.88","0.08","100","0.1","100","0.02","","","","","","","","5","P 1","P 1","1","","","","- C19 H16 Co0.5 N2 O3 -","- C19 H16 Co0.5 N2 O3 -","- C152 H128 Co4 N16 O24 -","8","8","","Tay, Hui Min; Hua, Carol","Co(II) coordination polymers constructed from a bent chiral linker: influencing framework topology using co-ligands","CrystEngComm","2020","","","","","10.1039/D0CE01172J","","","1.54184","CuKα","","0.0713","0.0659","","","0.1796","0.185","","","","","","1.047","","","","has coordinates","256485","2020-10-21","18:00:00",""
"7241254","13.543","0.0002","16.3848","0.0003","16.6552","0.0003","90","","102.594","0.0019","90","","3606.85","0.11","150.01","0.1","150.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H12 I5 S12 -","- C22 H12 I5 S12 -","- C88 H48 I20 S48 -","4","1","","Short, Jonni; Blundell, Toby J.; Yang, Songjie; Sahin, Onur; Shakespeare, Yiana; Smith, Emma Louise; Martin, Lee; Wallis, John D.","Synthesis and Structures of Polyiodide Radical Cation Salts of Donors Combining Tetrathiafulvalene with Multiple Thiophene or Oligo-thiophene Substituents.","CrystEngComm","2020","","","","","10.1039/D0CE00954G","","","0.71073","MoKα","","0.0431","0.0354","","","0.067","0.0696","","","","","","1.13","","","","has coordinates,has disorder","256486","2020-10-21","18:00:00",""
"7241255","11.5148","0.0003","18.1689","0.0005","29.3477","0.0012","90","","91.157","0.003","90","","6138.6","0.3","150","0.1","150.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H8 I6 S10 -","- C16 H8 I6 S10 -","- C128 H64 I48 S80 -","8","1","","Short, Jonni; Blundell, Toby J.; Yang, Songjie; Sahin, Onur; Shakespeare, Yiana; Smith, Emma Louise; Martin, Lee; Wallis, John D.","Synthesis and Structures of Polyiodide Radical Cation Salts of Donors Combining Tetrathiafulvalene with Multiple Thiophene or Oligo-thiophene Substituents.","CrystEngComm","2020","","","","","10.1039/D0CE00954G","","","0.71073","MoKα","","0.1726","0.0979","","","0.1593","0.1835","","","","","","1.099","","","","has coordinates,has disorder","256486","2020-10-21","18:00:00",""
"7241256","10.2097","0.0006","10.9057","0.0006","17.3954","0.0012","90.663","0.005","102.294","0.006","93.878","0.005","1887.5","0.2","150.01","0.1","150.15","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H14 I6 S12 -","- C24 H14 I6 S12 -","- C48 H28 I12 S24 -","2","1","","Short, Jonni; Blundell, Toby J.; Yang, Songjie; Sahin, Onur; Shakespeare, Yiana; Smith, Emma Louise; Martin, Lee; Wallis, John D.","Synthesis and Structures of Polyiodide Radical Cation Salts of Donors Combining Tetrathiafulvalene with Multiple Thiophene or Oligo-thiophene Substituents.","CrystEngComm","2020","","","","","10.1039/D0CE00954G","","","0.71073","MoKα","","0.0828","0.062","","","0.0948","0.1011","","","","","","1.177","","","","has coordinates,has disorder","256486","2020-10-21","18:00:00",""
"7241257","13.6688","0.0003","16.1393","0.0004","17.049","0.0004","90","","105.18","0.002","90","","3629.86","0.15","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H12 I5 S12 -","- C22 H12 I5 S12 -","- C88 H48 I20 S48 -","4","1","","Short, Jonni; Blundell, Toby J.; Yang, Songjie; Sahin, Onur; Shakespeare, Yiana; Smith, Emma Louise; Martin, Lee; Wallis, John D.","Synthesis and Structures of Polyiodide Radical Cation Salts of Donors Combining Tetrathiafulvalene with Multiple Thiophene or Oligo-thiophene Substituents.","CrystEngComm","2020","","","","","10.1039/D0CE00954G","","","0.71073","MoKα","","0.0641","0.0492","","","0.111","0.1181","","","","","","1.108","","","","has coordinates,has disorder","256486","2020-10-21","18:00:00",""
"7241258","11.8075","0.0002","14.6651","0.0003","16.9675","0.0003","92.604","0.002","106.484","0.002","107.727","0.002","2655.43","0.1","150","2","150.15","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H10 I3 S10 -","- C16 H10 I3 S10 -","- C64 H40 I12 S40 -","4","2","","Short, Jonni; Blundell, Toby J.; Yang, Songjie; Sahin, Onur; Shakespeare, Yiana; Smith, Emma Louise; Martin, Lee; Wallis, John D.","Synthesis and Structures of Polyiodide Radical Cation Salts of Donors Combining Tetrathiafulvalene with Multiple Thiophene or Oligo-thiophene Substituents.","CrystEngComm","2020","","","","","10.1039/D0CE00954G","","","0.71073","MoKα","","0.0523","0.0399","","","0.0826","0.0887","","","","","","1.078","","","","has coordinates,has disorder","256486","2020-10-21","18:00:00",""
"7241259","9.0576","0.001","28.632","0.002","10.5799","0.001","90","","100.212","0.01","90","","2700.3","0.4","150","0.1","150","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H10 I4 S10 -","- C16 H10 I4 S10 -","- C64 H40 I16 S40 -","4","2","","Short, Jonni; Blundell, Toby J.; Yang, Songjie; Sahin, Onur; Shakespeare, Yiana; Smith, Emma Louise; Martin, Lee; Wallis, John D.","Synthesis and Structures of Polyiodide Radical Cation Salts of Donors Combining Tetrathiafulvalene with Multiple Thiophene or Oligo-thiophene Substituents.","CrystEngComm","2020","","","","","10.1039/D0CE00954G","","","0.71073","MoKα","","0.0858","0.0718","","","0.1521","0.1608","","","","","","1.107","","","","has coordinates,has disorder","256486","2020-10-21","18:00:00",""
"7241260","8.7799","0.0012","8.7799","0.0012","8.193","0.002","90","","90","","120","","546.96","0.17","273","2","273.15","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C2 I3 N Pb -","- C2 I3 N0.99 Pb -","- C4 I6 N1.98 Pb2 -","2","0.0833333","","Wang, Yiming; Liu, Yanliang; Wu, Yizhang; Jiang, Junjie; Liu, Chunlin; Liu, Wen-long; Gao, Kaige; Cai, Hongling; Wu, Xiaoshan","Properties and growth of large single crystal of one dimensional organic lead iodine perovskites","CrystEngComm","2020","","","","","10.1039/D0CE01104E","","","0.71073","MoKα","","0.0573","0.0413","","","0.0946","0.1002","","","","","","1.2","","","","has coordinates","256513","2020-10-21","18:00:00",""
"7241261","8.9303","0.0006","14.691","0.0009","7.979","0.0005","90","","95.994","0.004","90","","1041.08","0.12","100","2","100.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C2 H0.25 I3 N Pb -","- C2 H8 I3 N Pb -","- C8 H32 I12 N4 Pb4 -","4","2","","Wang, Yiming; Liu, Yanliang; Wu, Yizhang; Jiang, Junjie; Liu, Chunlin; Liu, Wen-long; Gao, Kaige; Cai, Hongling; Wu, Xiaoshan","Properties and growth of large single crystal of one dimensional organic lead iodine perovskites","CrystEngComm","2020","","","","","10.1039/D0CE01104E","","","0.71073","MoKα","","0.0969","0.0717","","","0.1793","0.194","","","","","","1.037","","","","has coordinates","256514","2020-10-21","18:00:00",""
"7241262","9.8149","0.0004","9.9853","0.0004","15.1587","0.0006","84.234","0.003","78.977","0.004","80.518","0.003","1434.64","0.1","150","0.1","150","0.1","","","","","","","slow evaporation from a methanol solution","3","P -1","-P 1","2","","2-Cyano-3-(6?-(dimethylamino)-1?,2?-dihydroacenaphthylen-5?-yl)propenenitrile","","- C18 H15 N3 -","- C18 H15 N3 -","- C72 H60 N12 -","4","2","","Bristow, Jonathan; Naftalin, Isaac; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.; Carravetta, Marina; Heinmaa, Ivo; Stern, Raivo","Modelling of an Aza-Michael Reaction from Crystalline Naphthalene Derivatives Containing Peri-Peri Interactions: Very Long N-C Bonds?","CrystEngComm","2020","","","","","10.1039/D0CE01137A","","x-ray","0.71073","MoKα","","0.098","0.0575","","","0.1157","0.1393","","","","","","1.011","","","","has coordinates","256515","2020-10-21","18:00:00",""
"7241263","44.3599","0.0014","22.7723","0.0006","7.0406","0.0004","90","","90","","90","","7112.3","0.5","150.01","0.1","150.01","0.1","","","","","","","","5","F d d 2","F 2 -2d","43","","2-Cyano-3-(8?-dimethylamino-4?-dimethylammonio-naphthalen-1?-yl)propene-nitrile chloride","","- C18 H20 Cl N4 O0.5 -","- C18 H20 Cl N4 O0.5 -","- C288 H320 Cl16 N64 O8 -","16","1","","Bristow, Jonathan; Naftalin, Isaac; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.; Carravetta, Marina; Heinmaa, Ivo; Stern, Raivo","Modelling of an Aza-Michael Reaction from Crystalline Naphthalene Derivatives Containing Peri-Peri Interactions: Very Long N-C Bonds?","CrystEngComm","2020","","","","","10.1039/D0CE01137A","","x-ray","0.71073","MoKα","","0.0464","0.0411","","","0.0822","0.0843","","","","","","1.079","","","","has coordinates","256515","2020-10-21","18:00:00",""
"7241264","44.405","0.002","22.8205","0.0011","7.0822","0.0007","90","","90","","90","","7176.7","0.9","200","0.1","200","0.1","","","","","","","","5","F d d 2","F 2 -2d","43","","2-Cyano-3-(8?-dimethylamino-4?-dimethylammonio-naphthalen-1?-yl)propene-nitrile chloride","","- C18 H20 Cl N4 O0.5 -","- C18 H20 Cl N4 O0.5 -","- C288 H320 Cl16 N64 O8 -","16","1","","Bristow, Jonathan; Naftalin, Isaac; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.; Carravetta, Marina; Heinmaa, Ivo; Stern, Raivo","Modelling of an Aza-Michael Reaction from Crystalline Naphthalene Derivatives Containing Peri-Peri Interactions: Very Long N-C Bonds?","CrystEngComm","2020","","","","","10.1039/D0CE01137A","","x-ray","0.71073","MoKα","","0.0535","0.0463","","","0.091","0.0944","","","","","","1.092","","","","has coordinates","256515","2020-10-21","18:00:00",""
"7241265","8.6923","0.0003","12.6464","0.0005","12.8192","0.0005","81.716","0.003","77.638","0.003","78.624","0.003","1341.8","0.09","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","2-Cyano-3-((8?-(dimethylamino)-4?,5?-diphenylnaphthalen-1?-yl)propenenitrile","","- C35 H29 N3 -","- C35 H29 N3 -","- C70 H58 N6 -","2","1","","Bristow, Jonathan; Naftalin, Isaac; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.; Carravetta, Marina; Heinmaa, Ivo; Stern, Raivo","Modelling of an Aza-Michael Reaction from Crystalline Naphthalene Derivatives Containing Peri-Peri Interactions: Very Long N-C Bonds?","CrystEngComm","2020","","","","","10.1039/D0CE01137A","","x-ray","0.71073","MoKα","","0.092","0.0727","","","0.1296","0.1377","","","","","","1.153","","","","has coordinates","256515","2020-10-21","18:00:00",""
"7241266","44.6586","0.0017","22.6565","0.0007","6.8837","0.0004","90","","90","","90","","6965","0.5","100.01","0.1","100.01","0.1","","","","","","","","5","F d d 2","F 2 -2d","43","","2-Cyano-3-(8?-dimethylamino-4?-dimethylammonio-naphthalen-1?-yl)propene-nitrile chloride","","- C18 H20 Cl N4 O0.5 -","- C18 H20 Cl N4 O0.5 -","- C288 H320 Cl16 N64 O8 -","16","1","","Bristow, Jonathan; Naftalin, Isaac; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.; Carravetta, Marina; Heinmaa, Ivo; Stern, Raivo","Modelling of an Aza-Michael Reaction from Crystalline Naphthalene Derivatives Containing Peri-Peri Interactions: Very Long N-C Bonds?","CrystEngComm","2020","","","","","10.1039/D0CE01137A","","x-ray","0.71073","MoKα","","0.0389","0.0357","","","0.0751","0.0764","","","","","","1.097","","","","has coordinates","256515","2020-10-21","18:00:00",""
"7241267","48.482","0.0018","22.8029","0.0009","6.746","0.0003","90","","90","","90","","7457.9","0.5","260","2","260","0.1","","","","","","","","5","F d d 2","F 2 -2d","43","","Methyl E-2-cyano-3-(8?-dimethylamino-4?-dimethylammonio-naphthalen-1?-yl)-2-propenoate chloride","","- C19 H23 Cl N3 O2.5 -","- C19 H23 Cl N3 O2.5 -","- C304 H368 Cl16 N48 O40 -","16","1","","Bristow, Jonathan; Naftalin, Isaac; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.; Carravetta, Marina; Heinmaa, Ivo; Stern, Raivo","Modelling of an Aza-Michael Reaction from Crystalline Naphthalene Derivatives Containing Peri-Peri Interactions: Very Long N-C Bonds?","CrystEngComm","2020","","","","","10.1039/D0CE01137A","","x-ray","0.71073","MoKα","","0.0965","0.06","","","0.0921","0.107","","","","","","1.054","","","","has coordinates","256515","2020-10-21","18:00:00",""
"7241268","48.2476","0.0011","22.8006","0.0006","6.6691","0.0002","90","","90","","90","","7336.5","0.3","150","2","150","0.1","","","","","","","","5","F d d 2","F 2 -2d","43","","Methyl E-2-cyano-3-(8?-dimethylamino-4?-dimethylammonio-naphthalen-1?-yl)-2-prop-enoate chloride","","- C19 H23 Cl N3 O2.5 -","- C19 H23 Cl N3 O2.5 -","- C304 H368 Cl16 N48 O40 -","16","1","","Bristow, Jonathan; Naftalin, Isaac; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.; Carravetta, Marina; Heinmaa, Ivo; Stern, Raivo","Modelling of an Aza-Michael Reaction from Crystalline Naphthalene Derivatives Containing Peri-Peri Interactions: Very Long N-C Bonds?","CrystEngComm","2020","","","","","10.1039/D0CE01137A","","x-ray","0.71073","MoKα","","0.0412","0.0351","","","0.0753","0.078","","","","","","1.048","","","","has coordinates","256515","2020-10-21","18:00:00",""
"7241269","20.777","0.0007","9.3348","0.0002","18.1408","0.0006","90","","114.584","0.004","90","","3199.46","0.19","150.01","0.1","150.01","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-Cyano-3-(4?-,8?-bis(dimethylamino)naphthalen-1?-yl)propenenitrile","","- C18 H18 N4 -","- C18 H18 N4 -","- C144 H144 N32 -","8","2","","Bristow, Jonathan; Naftalin, Isaac; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.; Carravetta, Marina; Heinmaa, Ivo; Stern, Raivo","Modelling of an Aza-Michael Reaction from Crystalline Naphthalene Derivatives Containing Peri-Peri Interactions: Very Long N-C Bonds?","CrystEngComm","2020","","","","","10.1039/D0CE01137A","","x-ray","0.71073","MoKα","","0.0843","0.0637","","","0.1268","0.1364","","","","","","1.081","","","","has coordinates","256515","2020-10-21","18:00:00",""
"7241270","8.6964","0.0008","9.2214","0.0007","10.4886","0.0008","102.971","0.007","101.832","0.007","113.041","0.008","712.9","0.13","150.01","0.1","150.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C17 H16 N2 O2 -","- C17 H16 N2 O2 -","- C34 H32 N4 O4 -","2","1","","Bristow, Jonathan; Naftalin, Isaac; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.; Carravetta, Marina; Heinmaa, Ivo; Stern, Raivo","Modelling of an Aza-Michael Reaction from Crystalline Naphthalene Derivatives Containing Peri-Peri Interactions: Very Long N-C Bonds?","CrystEngComm","2020","","","","","10.1039/D0CE01137A","","x-ray","0.71073","MoKα","","0.0656","0.0472","","","0.1024","0.1135","","","","","","1.044","","","","has coordinates","256515","2020-10-21","18:00:00",""
"7241271","9.319","0.0005","11.543","0.0007","19.5648","0.0012","90","","90.064","0.003","90","","2104.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1:1 Cocrystal of Olanzapine and Resorcinol","","- C23 H26 N4 O2 S -","- C23 H26 N4 O2 S -","- C92 H104 N16 O8 S4 -","4","1","","Surampudi, Anuja Venkata Sai Durga; Rajendrakumar, Satyasree; Nanubolu, Jagadeesh Babu; Balasubramanian, Sridhar; Surov, Artem O.; Voronin, Alexander P.; Perlovich, German L.","Influence of crystal packing on the thermal properties of cocrystals and cocrystal solvates of olanzapine: insights from computations","CrystEngComm","2020","","","","","10.1039/D0CE00914H","","","0.71073","MoKα","","0.0474","0.0375","","","0.1201","0.129","","","","","","1.008","","","","has coordinates","256554","2020-10-21","18:00:00",""
"7241272","25.972","0.005","9.1477","0.0016","19.595","0.004","90","","107.679","0.008","90","","4435.6","1.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1:1 Cocrystal of Olanzapine and Catechol","","- C23 H26 N4 O2 S -","- C23 H26 N4 O2 S -","- C184 H208 N32 O16 S8 -","8","1","","Surampudi, Anuja Venkata Sai Durga; Rajendrakumar, Satyasree; Nanubolu, Jagadeesh Babu; Balasubramanian, Sridhar; Surov, Artem O.; Voronin, Alexander P.; Perlovich, German L.","Influence of crystal packing on the thermal properties of cocrystals and cocrystal solvates of olanzapine: insights from computations","CrystEngComm","2020","","","","","10.1039/D0CE00914H","","","0.71073","MoKα","","0.1764","0.0873","","","0.215","0.2331","","","","","","1.153","","","","has coordinates","256554","2020-10-21","18:00:00",""
"7241273","9.0547","0.0018","10.719","0.002","14.236","0.003","80.86","0.005","82.955","0.006","84.355","0.006","1349.5","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","1:1:1 Cocrystal of Olanzapine, Hydroquinone and Benzene","","- C29 H32 N4 O2 S -","- C29 H32 N4 O2 S -","- C58 H64 N8 O4 S2 -","2","1","","Surampudi, Anuja Venkata Sai Durga; Rajendrakumar, Satyasree; Nanubolu, Jagadeesh Babu; Balasubramanian, Sridhar; Surov, Artem O.; Voronin, Alexander P.; Perlovich, German L.","Influence of crystal packing on the thermal properties of cocrystals and cocrystal solvates of olanzapine: insights from computations","CrystEngComm","2020","","","","","10.1039/D0CE00914H","","","0.71073","MoKα","","0.1595","0.0786","","","0.1527","0.1871","","","","","","1.059","","","","has coordinates","256554","2020-10-21","18:00:00",""
"7241274","9.3159","0.0003","10.3802","0.0004","15.0112","0.0005","96.2211","0.0014","90.7786","0.0013","98.187","0.0013","1427.72","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","1:1:1 Cocrystal of Olanzapine, Hydroquinone and pXylene","","- C31 H36 N4 O2 S -","- C31 H36 N4 O2 S -","- C62 H72 N8 O4 S2 -","2","1","","Surampudi, Anuja Venkata Sai Durga; Rajendrakumar, Satyasree; Nanubolu, Jagadeesh Babu; Balasubramanian, Sridhar; Surov, Artem O.; Voronin, Alexander P.; Perlovich, German L.","Influence of crystal packing on the thermal properties of cocrystals and cocrystal solvates of olanzapine: insights from computations","CrystEngComm","2020","","","","","10.1039/D0CE00914H","","","0.71073","MoKα","","0.0504","0.0404","","","0.0931","0.0982","","","","","","1.037","","","","has coordinates","256554","2020-10-21","18:00:00",""
"7241275","9.1116","0.0005","10.7195","0.0007","15.8385","0.0009","88.452","0.002","87.7422","0.0017","82.8273","0.0019","1533.3","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","1:1:2 Cocrystal of Olanzapine, Hydroquinone and Benzene","","- C35 H38 N4 O2 S -","- C35 H38 N4 O2 S -","- C70 H76 N8 O4 S2 -","2","1","","Surampudi, Anuja Venkata Sai Durga; Rajendrakumar, Satyasree; Nanubolu, Jagadeesh Babu; Balasubramanian, Sridhar; Surov, Artem O.; Voronin, Alexander P.; Perlovich, German L.","Influence of crystal packing on the thermal properties of cocrystals and cocrystal solvates of olanzapine: insights from computations","CrystEngComm","2020","","","","","10.1039/D0CE00914H","","","0.71073","MoKα","","0.0409","0.0362","","","0.0928","0.0963","","","","","","1.051","","","","has coordinates","256554","2020-10-21","18:00:00",""
"7241276","28.1714","0.0017","12.6444","0.0007","14.0673","0.0008","90","","104.397","0.0019","90","","4853.5","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1:1:1:2 Cocrystal of Olanzapine, Hydroquinone, pXylene and Water","","- C24 H32 N4 O3 S -","- C24 H32 N4 O3 S -","- C192 H256 N32 O24 S8 -","8","1","","Surampudi, Anuja Venkata Sai Durga; Rajendrakumar, Satyasree; Nanubolu, Jagadeesh Babu; Balasubramanian, Sridhar; Surov, Artem O.; Voronin, Alexander P.; Perlovich, German L.","Influence of crystal packing on the thermal properties of cocrystals and cocrystal solvates of olanzapine: insights from computations","CrystEngComm","2020","","","","","10.1039/D0CE00914H","","","0.71073","MoKα","","0.0361","0.0329","","","0.0837","0.0864","","","","","","1.028","","","","has coordinates","256554","2020-10-21","18:00:00",""
"7241277","9.2694","0.0012","10.3353","0.0013","14.9174","0.0019","89.159","0.004","86.632","0.004","82.387","0.004","1414","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","1:1:1 Cocrystal of Olanzapine, Hydroquinone and Ethylbenzene","","- C31 H36 N4 O2 S -","- C31 H36 N4 O2 S -","- C62 H72 N8 O4 S2 -","2","1","","Surampudi, Anuja Venkata Sai Durga; Rajendrakumar, Satyasree; Nanubolu, Jagadeesh Babu; Balasubramanian, Sridhar; Surov, Artem O.; Voronin, Alexander P.; Perlovich, German L.","Influence of crystal packing on the thermal properties of cocrystals and cocrystal solvates of olanzapine: insights from computations","CrystEngComm","2020","","","","","10.1039/D0CE00914H","","","0.71073","MoKα","","0.0957","0.0559","","","0.1115","0.127","","","","","","1.031","","","","has coordinates","256554","2020-10-21","18:00:00",""
"7241281","15.6867","0.0016","14.8573","0.0015","18.9889","0.0019","90","","93.799","0.004","90","","4415.9","0.8","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H28 Mn2 N4 O12 -","- C41 H28 Mn2 N4 O12 -","- C164 H112 Mn8 N16 O48 -","4","1","","Zhang, Yujuan; Gao, Lingling; Zhou, Wendi; Wei, Xiao-Qin; Hu, Tuoping","Synthesis and magnetic properties of Two Mn-based coordination polymers constructed by mixed-ligand strategy","CrystEngComm","2020","","","","","10.1039/D0CE01178A","","","0.71076","MoKα","","0.0577","0.0403","","","0.0994","0.1067","","","","","","1.035","","","","has coordinates","256610","2020-10-21","18:00:00",""
"7241282","13.2419","0.0007","15.4637","0.0007","18.8598","0.0009","90","","107.908","0.002","90","","3674.8","0.3","173.15","","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H28 Mn2 N2 O14 -","- C29 H28 Mn2 N2 O14 -","- C116 H112 Mn8 N8 O56 -","4","1","","Zhang, Yujuan; Gao, Lingling; Zhou, Wendi; Wei, Xiao-Qin; Hu, Tuoping","Synthesis and magnetic properties of Two Mn-based coordination polymers constructed by mixed-ligand strategy","CrystEngComm","2020","","","","","10.1039/D0CE01178A","","","0.71076","MoKα","","0.1422","0.0685","","","0.1391","0.1636","","","","","","1.005","","","","has coordinates","256610","2020-10-21","18:00:00",""
"7241283","9.6149","0.0001","13.0783","0.0001","23.3712","0.0003","90","","90","","90","","2938.85","0.05","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6.5 H6 N12 O13 -","- C6.5 H6 N12 O13 -","- C52 H48 N96 O104 -","8","1","","Zharkov, Mikhail; Kuchurov, Ilya; Zlotin, Sergei Grigorievich","Micronization of CL-20 using supercritical and liquefied gases","CrystEngComm","2020","","","","","10.1039/D0CE01167C","","","0.71073","MoKα","","0.0314","0.0282","","","0.0733","0.0762","","","","","","1.102","","","","has coordinates","256611","2020-10-21","18:00:00",""
"7241285","9.655","0.0008","7.8337","0.0004","21.8957","0.0016","90","","100.355","0.007","90","","1629.1","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","flufenamic acid 2,2'-bipyridine (2:1) co-crystal","","","- C19 H14 F3 N2 O2 -","- C19 H14 F3 N2 O2 -","- C76 H56 F12 N8 O8 -","4","1","","Hatcher, Lauren E.; Burgess, Ayrton J.; Payne, Pollyanna; Wilson, Chick C.","From structure to crystallisation and pharmaceutical manufacturing: the CSD in CMAC Workflows","CrystEngComm","2020","","","","","10.1039/D0CE00898B","","","0.71073","MoKα","","0.1393","0.0585","","","0.0854","0.1106","","","","","","1.009","","","","has coordinates,has disorder","256638","2020-10-21","18:00:00",""
"7241294","17.9377","0.0011","21.9449","0.0014","25.6202","0.0016","90","","106.696","0.002","90","","9660","1.1","273","2","273.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C96 H72 Cd N24 O20 -","- C96 H72 Cd N24 O20 -","- C384 H288 Cd4 N96 O80 -","4","0.5","","Liu, Mei; Shi, Lulu; Fang, Cao; Zhu, Xiaofei; Li, Hui","A cucurbit[6]uril-based supramolecular assembly test strip for immediate detection of nitrofuran antibiotics in water","CrystEngComm","2020","","","","","10.1039/D0CE01294G","","","0.71073","MoKα","","0.0388","0.0354","","","0.0855","0.0915","","","","","","1.112","","","","has coordinates","256694","2020-10-21","18:00:00",""
"7241299","21.9383","0.0002","21.9383","0.0002","46.0355","0.0005","90","","90","","120","","19188","0.3","173","2","173","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C60 H66 Ag F6 O12 P S9 -","- C60 H66 Ag F5.99995 O12 P S9 -","- C720 H792 Ag12 F71.9994 O144 P12 S108 -","12","0.333333","","Ju, Huiyeong; Lee, Jai Young; Lee, Shim Sung","Influence of anion and mole-ratio on the formation of 2-D coordination networks of thiacalix[4]-bis-monothiacrown-5","CrystEngComm","2020","","","","","10.1039/D0CE01198C","","","0.71073","MoKα","","0.0374","0.0306","","","0.0739","0.0805","","","","","","1.053","","","","has coordinates","256752","2020-10-21","18:00:00",""
"7241300","29.7592","0.0003","26.2631","0.0003","20.0331","0.0002","90","","90","","90","","15657.2","0.3","173","2","173","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C65 H71 Ag Cl9 F3 O15 S9 -","- C65 H69 Ag Cl9 F3 O15 S9 -","- C520 H552 Ag8 Cl72 F24 O120 S72 -","8","1","","Ju, Huiyeong; Lee, Jai Young; Lee, Shim Sung","Influence of anion and mole-ratio on the formation of 2-D coordination networks of thiacalix[4]-bis-monothiacrown-5","CrystEngComm","2020","","","","","10.1039/D0CE01198C","","","0.71073","MoKα","","0.0911","0.0678","","","0.1878","0.2117","","","","","","1.05","","","","has coordinates,has disorder","256752","2020-10-21","18:00:00",""
"7241301","29.0458","0.0015","26.4503","0.0014","19.6654","0.0011","90","","98.978","0.003","90","","14923.2","1.4","173","2","173","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C265 H273 Ag8 Cl3 F24 O65 P0 S36 -","- C265 H273 Ag8 Cl3 F24 O65 S36 -","- C530 H546 Ag16 Cl6 F48 O130 S72 -","2","0.5","","Ju, Huiyeong; Lee, Jai Young; Lee, Shim Sung","Influence of anion and mole-ratio on the formation of 2-D coordination networks of thiacalix[4]-bis-monothiacrown-5","CrystEngComm","2020","","","","","10.1039/D0CE01198C","","","0.71073","MoKα","","0.1494","0.0743","","","0.1657","0.2129","","","","","","1.007","","","","has coordinates","256752","2020-10-21","18:00:00",""
"7241302","10.2987","0.0006","16.1185","0.0009","17.2403","0.001","90","","97.391","0.002","90","","2838.1","0.3","150.15","","150.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H50 Co4 N4 O26 -","- C62 H50 Co4 N4 O26 -","- C124 H100 Co8 N8 O52 -","2","0.5","","Gao, Lingling; Bian, Yongjun; Tian, Yuan; chen, yongqiang; Hu, Tuoping","Structural Diversity, Gas Adsorption and Magnetic Property of Three Coordination Polymers based on Rigid Multicarboxylate Ligand","CrystEngComm","2020","","","","","10.1039/D0CE01201G","","","0.71073","MoKα","","0.1136","0.0709","","","0.1178","0.1351","","","","","","1.174","","","","has coordinates","256753","2020-10-21","18:00:00",""
"7241303","10.372","0.0003","16.8173","0.0004","16.8664","0.0004","90","","98.482","0.001","90","","2909.81","0.13","150","","150","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C65 H48 Co2 N9 O14 -","- C65 H48 Co2 N9 O14 -","- C130 H96 Co4 N18 O28 -","2","0.5","","Gao, Lingling; Bian, Yongjun; Tian, Yuan; chen, yongqiang; Hu, Tuoping","Structural Diversity, Gas Adsorption and Magnetic Property of Three Coordination Polymers based on Rigid Multicarboxylate Ligand","CrystEngComm","2020","","","","","10.1039/D0CE01201G","","","0.71073","MoKα","","0.0823","0.0731","","","0.158","0.1613","","","","","","1.31","","","","has coordinates,has disorder","256753","2020-10-21","18:00:00",""
"7241304","33.557","0.0011","15.838","0.0005","20.0331","0.0006","90","","90","","90","","10647.1","0.6","298.15","","298.15","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C106 H73 Co6 N12 O22 -","- C106 H73 Co6 N12 O22 -","- C424 H292 Co24 N48 O88 -","4","1","","Gao, Lingling; Bian, Yongjun; Tian, Yuan; chen, yongqiang; Hu, Tuoping","Structural Diversity, Gas Adsorption and Magnetic Property of Three Coordination Polymers based on Rigid Multicarboxylate Ligand","CrystEngComm","2020","","","","","10.1039/D0CE01201G","","","0.71073","MoKα","","0.1131","0.0544","","","0.1178","0.14","","","","","","1.005","","","","has coordinates,has disorder","256753","2020-10-21","18:00:00",""
"7241306","28.311","0.0019","32.998","0.003","13.625","0.0011","90","","110.683","0.002","90","","11908.2","1.7","298","2","298","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C66 H113 Co3 Dy3 N30 O49 -","- C54 H30.9992 Co2.9996 Dy3 N24 O30.9996 -","- C216 H123.997 Co11.9984 Dy12 N96 O123.998 -","4","0.5","","Wei, Han; Wang, Cui-Li; gao, wei; Liu, Jie-Ping; Zhang, Xiumei","Novel 3D anionic heterometallic frameworks based on trinuclear CoII and trinuclear LnIII motifs: displaying slow magnetic relaxation and selective adsorption of methylene blue","CrystEngComm","2020","","","","","10.1039/D0CE01254H","","","0.71073","MoKα","","0.0757","0.0441","","","0.1089","0.1203","","","","","","1.019","","","","has coordinates,has disorder","256783","2020-10-21","18:00:00",""
"7241307","28.15","0.003","33.16","0.004","13.68","0.0014","90","","109.96","0.004","90","","12003","2","298","2","298","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C66 H113 Co3 Eu3 N30 O49 -","- C54 H31 Co3 Eu3 N24 O31 -","- C216 H124 Co12 Eu12 N96 O124 -","4","0.5","","Wei, Han; Wang, Cui-Li; gao, wei; Liu, Jie-Ping; Zhang, Xiumei","Novel 3D anionic heterometallic frameworks based on trinuclear CoII and trinuclear LnIII motifs: displaying slow magnetic relaxation and selective adsorption of methylene blue","CrystEngComm","2020","","","","","10.1039/D0CE01254H","","","0.71073","MoKα","","0.0721","0.051","","","0.1386","0.1535","","","","","","0.978","","","","has coordinates,has disorder","256783","2020-10-21","18:00:00",""
"7241308","28.145","0.005","33.446","0.006","13.581","0.002","90","","110.479","0.002","90","","11976","4","298","2","298","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C66 H113 Co3 Gd3 N30 O49 -","- C54 H31.0004 Co3.0002 Gd3 N24 O31.0002 -","- C216 H124.002 Co12.0008 Gd12 N96 O124.001 -","4","0.5","","Wei, Han; Wang, Cui-Li; gao, wei; Liu, Jie-Ping; Zhang, Xiumei","Novel 3D anionic heterometallic frameworks based on trinuclear CoII and trinuclear LnIII motifs: displaying slow magnetic relaxation and selective adsorption of methylene blue","CrystEngComm","2020","","","","","10.1039/D0CE01254H","","","0.71073","MoKα","","0.0824","0.0524","","","0.1549","0.1763","","","","","","1.006","","","","has coordinates,has disorder","256783","2020-10-21","18:00:00",""
"7241309","28.33","0.012","33.266","0.015","13.65","0.006","90","","111.329","0.006","90","","11983","9","298","2","298","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C66 H113 Co3 Ho3 N30 O49 -","- C54 H30.9992 Co2.9996 Ho3 N24 O30.9996 -","- C216 H123.997 Co11.9984 Ho12 N96 O123.998 -","4","0.5","","Wei, Han; Wang, Cui-Li; gao, wei; Liu, Jie-Ping; Zhang, Xiumei","Novel 3D anionic heterometallic frameworks based on trinuclear CoII and trinuclear LnIII motifs: displaying slow magnetic relaxation and selective adsorption of methylene blue","CrystEngComm","2020","","","","","10.1039/D0CE01254H","","","0.71073","MoKα","","0.078","0.0469","","","0.1215","0.1331","","","","","","1.043","","","","has coordinates,has disorder","256783","2020-10-21","18:00:00",""
"7241310","27.9621","0.0019","32.846","0.003","13.478","0.0011","90","","110.883","0.002","90","","11565.6","1.6","298","2","298","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C66 H113 Co3 N30 O49 Tb3 -","- C54 H29.0004 Co2.9999 N24 O29.9999 Tb3 -","- C216 H116.002 Co11.9996 N96 O120 Tb12 -","4","0.5","","Wei, Han; Wang, Cui-Li; gao, wei; Liu, Jie-Ping; Zhang, Xiumei","Novel 3D anionic heterometallic frameworks based on trinuclear CoII and trinuclear LnIII motifs: displaying slow magnetic relaxation and selective adsorption of methylene blue","CrystEngComm","2020","","","","","10.1039/D0CE01254H","","","0.71073","MoKα","","0.0727","0.0499","","","0.1278","0.1333","","","","","","1.123","","","","has coordinates,has disorder","256783","2020-10-21","18:00:00",""
"7241311","20.7375","0.0011","13.4812","0.0007","25.4131","0.0013","90","","90","","90","","7104.6","0.6","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C40 H29 N4 O7 Re2 -","- C37 H22 N4 O7 Re2 -","- C296 H176 N32 O56 Re16 -","8","1","","Kia, Reza; Taghavi, Tahereh; Raithby, Paul R.","Supramolecular Assembly Through Intermolecular n →π* Interactions through a Coordinated Perrhenate Formed via Superoxidation of Re(I) to Re(VII) in the Formation of Substituted Re(CO)3 Complexes Bearing Diimine Ligands","CrystEngComm","2020","","","","","10.1039/D0CE01073A","","","0.71073","MoKα","","0.0308","0.021","","","0.0439","0.0472","","","","","","1.033","","","","has coordinates,has disorder","256784","2020-10-21","18:00:00",""
"7241312","14.1536","0.0002","14.5187","0.0003","15.7597","0.0003","90","","90","","90","","3238.49","0.1","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H6 N2 O8 Re2 -","- C14 H6 N2 O8 Re2 -","- C112 H48 N16 O64 Re16 -","8","1","","Kia, Reza; Taghavi, Tahereh; Raithby, Paul R.","Supramolecular Assembly Through Intermolecular n →π* Interactions through a Coordinated Perrhenate Formed via Superoxidation of Re(I) to Re(VII) in the Formation of Substituted Re(CO)3 Complexes Bearing Diimine Ligands","CrystEngComm","2020","","","","","10.1039/D0CE01073A","","","1.54184","CuKα","","0.0353","0.0332","","","0.0844","0.086","","","","","","1.135","","","","has coordinates","256784","2020-10-21","18:00:00",""
"7241313","7.4811","0.0003","7.2879","0.0003","19.9293","0.0012","90","","98.283","0.005","90","","1075.24","0.09","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 Br N5 -","- C11 H8 Br N5 -","- C44 H32 Br4 N20 -","4","1","","Ramirez de Arellano, Carmen; Adam, Rosa; Ballesteros-Garrido, Rafael; Abarca, Belén; Ballesteros, Rafael; Alkorta, Ibon; Elguero, Jose; Escrivá, Emilio","A C(π-hole)···Cl-Zn tetrel interaction driving a metal-organic supramolecular assembly","CrystEngComm","2020","","","","","10.1039/D0CE01272F","","","0.71073","MoKα","","0.1007","0.0538","","","0.087","0.1082","","","","","","1.049","","","","has coordinates","256785","2020-10-21","18:00:00",""
"7241314","15.3058","0.0005","12.5506","0.0003","15.1113","0.0004","90","","99.054","0.003","90","","2866.67","0.14","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 Br2 Cl4 N10 Zn2 -","- C22 H16 Br2 Cl4 N10 Zn2 -","- C88 H64 Br8 Cl16 N40 Zn8 -","4","0.5","","Ramirez de Arellano, Carmen; Adam, Rosa; Ballesteros-Garrido, Rafael; Abarca, Belén; Ballesteros, Rafael; Alkorta, Ibon; Elguero, Jose; Escrivá, Emilio","A C(π-hole)···Cl-Zn tetrel interaction driving a metal-organic supramolecular assembly","CrystEngComm","2020","","","","","10.1039/D0CE01272F","","","0.71073","MoKα","","0.0278","0.0186","","","0.0434","0.0441","","","","","","0.925","","","","has coordinates","256785","2020-10-21","18:00:00",""
"7241316","21.071","0.003","21.271","0.003","36.786","0.005","80.137","0.004","82.278","0.004","78.032","0.004","15807","4","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C280 H294 Ag32 Au12 P4 S26 -","- C280 H294 Ag32 Au12 P4 S26 -","- C560 H588 Ag64 Au24 P8 S52 -","2","1","","He, Lizhong; He, Xinhai; wang, junbo; qu, yinhu; Su, Xiaolei; zheng, jioajiao; zhao, xiaoliang","The positional isomerism in the bimetal nanocluster","CrystEngComm","2020","","","","","10.1039/D0CE01334J","","","0.71073","MoKα","","0.1697","0.0963","","","0.2516","0.3022","","","","","","1.033","","","","has coordinates","256816","2020-10-21","18:00:00",""
"7241317","18.4309","0.0002","13.5312","0.0001","18.5524","0.0002","90","","97.887","0.001","90","","4583.06","0.08","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H55 N3 Na Ni4 O18 P3 -","- C35 H55 N3 Na Ni4 O18 P3 -","- C140 H220 N12 Na4 Ni16 O72 P12 -","4","1","","Doroshenko, Iaroslav; Böhme, Michael; Buchholz, Axel; Simonikova, Lucie; Plass, Winfried; Pinkas, Jiri","Octanuclear nickel phosphonate core forming extended and molecular structures","CrystEngComm","2020","","","","","10.1039/D0CE01055C","","","0.71073","MoKα","","0.0333","0.0285","","","0.0738","0.0766","","","","","","1.044","","","","has coordinates","256817","2020-10-21","18:00:00",""
"7241318","15.476","0.001","24.1101","0.0017","18.3598","0.0013","90","","113.266","0.002","90","","6293.5","0.8","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H56 N3 Na Ni4 O19 P3 -","- C48 H56 N3 Na Ni4 O19 P3 -","- C192 H224 N12 Na4 Ni16 O76 P12 -","4","1","","Doroshenko, Iaroslav; Böhme, Michael; Buchholz, Axel; Simonikova, Lucie; Plass, Winfried; Pinkas, Jiri","Octanuclear nickel phosphonate core forming extended and molecular structures","CrystEngComm","2020","","","","","10.1039/D0CE01055C","","","0.71073","MoKα","","0.0893","0.0729","","","0.1952","0.2033","","","","","","1.047","","","","has coordinates,has disorder","256817","2020-10-21","18:00:00",""
"7241319","14.5663","0.001","18.8563","0.0013","20.5672","0.0014","96.8765","0.0016","90.3808","0.0017","104.564","0.002","5424.3","0.6","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C69 H87 Br6 N6 Na2 Ni8 O36 P6 -","- C69 H87 Br6 N6 Na2 Ni8 O36 P6 -","- C138 H174 Br12 N12 Na4 Ni16 O72 P12 -","2","1","","Doroshenko, Iaroslav; Böhme, Michael; Buchholz, Axel; Simonikova, Lucie; Plass, Winfried; Pinkas, Jiri","Octanuclear nickel phosphonate core forming extended and molecular structures","CrystEngComm","2020","","","","","10.1039/D0CE01055C","","","0.71073","MoKα","","0.0912","0.0641","","","0.1678","0.1823","","","","","","1.004","","","","has coordinates,has disorder","256817","2020-10-21","18:00:00",""
"7241322","15.666","0.0016","7.1513","0.0007","17.0738","0.0017","90","","111.938","0.005","90","","1774.3","0.3","298","","298","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","TPCB","rctt-tetrakis-(5-pyrimidyl)-cyclobutane","","- C20 H16 N8 -","- C20 H16 N8 -","- C80 H64 N32 -","4","0.5","","Sinnwell, Michael A.; Santana, Carlos; Bosch, Eric; MacGillivray, Len R.; Groeneman , Ryan","Application of a tetrapyrimidyl cyclobutane synthesized in the organic solid state: a halogen-bonded supramolecular ladder","CrystEngComm","2020","","","","","10.1039/D0CE01280G","","","0.71073","MoKα","","0.0677","0.0577","","","0.1333","0.14","","","","","","1.119","","","","has coordinates,has disorder","256842","2020-10-21","18:00:00",""
"7241323","8.9258","0.0005","9.1762","0.0006","14.6465","0.0008","82.686","0.002","74.068","0.002","72.653","0.002","1099.72","0.11","102","2","102","2","","","","","","","","5","P -1","-P 1","2","","rctt-1,2,3,4-tetrakis-(5-pyrimdyl)cyclobutane tetrachloro-1,4-diiodobenzne","","- C39 H24 Cl8 I4 N8 -","- C39 H24 Cl8 I4 N8 -","- C39 H24 Cl8 I4 N8 -","1","0.5","","Sinnwell, Michael A.; Santana, Carlos; Bosch, Eric; MacGillivray, Len R.; Groeneman , Ryan","Application of a tetrapyrimidyl cyclobutane synthesized in the organic solid state: a halogen-bonded supramolecular ladder","CrystEngComm","2020","","","","","10.1039/D0CE01280G","","","0.71073","MoKα","","0.0283","0.0225","","","0.048","0.0499","","","","","","1.048","","","","has coordinates,has disorder","256842","2020-10-21","18:00:00",""
"7241324","8.8412","0.0019","9.012","0.002","12.227","0.003","70.384","0.003","71.053","0.003","77.807","0.004","862.2","0.3","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H6 Br5 N O4 -","- C13 H6 Br5 N O4 -","- C26 H12 Br10 N2 O8 -","2","1","","Singha, Soumen; Goswami, Somen; Dey, Sanjoy Kumar; Jana, Rajkumar; Ray, Partha Pratim; Saha, Indrajit; Rizzoli, Corrado; Bag, Partha Pratim; Kumar, Sanjay; SAHA, RAJAT","Synergistic Effect of Various Intermolecular Interactions on Self-assembly and Optoelectronic Behaviour in Co-crystals/Salts of Tetrabromoterephthalic Acid: A Report on Their Structure, Theoretical Study and Hirshfeld Surface Analysis","CrystEngComm","2020","","","","","10.1039/D0CE01102A","","","0.71073","MoKα","","0.0491","0.0407","","","0.1123","0.1179","","","","","","1.095","","","","has coordinates","256843","2020-10-21","18:00:00",""
"7241325","8.914","0.002","10.446","0.003","10.466","0.003","65.089","0.007","86.05","0.008","75.658","0.008","855.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 Br8 N4 O10 -","- C26 H20 Br8 N4 O10 -","- C26 H20 Br8 N4 O10 -","1","0.5","","Singha, Soumen; Goswami, Somen; Dey, Sanjoy Kumar; Jana, Rajkumar; Ray, Partha Pratim; Saha, Indrajit; Rizzoli, Corrado; Bag, Partha Pratim; Kumar, Sanjay; SAHA, RAJAT","Synergistic Effect of Various Intermolecular Interactions on Self-assembly and Optoelectronic Behaviour in Co-crystals/Salts of Tetrabromoterephthalic Acid: A Report on Their Structure, Theoretical Study and Hirshfeld Surface Analysis","CrystEngComm","2020","","","","","10.1039/D0CE01102A","","","0.71073","MoKα","","0.0834","0.0694","","","0.2164","0.2302","","","","","","1.09","","","","has coordinates","256843","2020-10-21","18:00:00",""
"7241326","9.0292","0.001","9.4163","0.0011","12.2764","0.0014","108.671","0.002","108.502","0.002","93.051","0.002","923.69","0.18","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 Br8 N4 O12 -","- C28 H20 Br8 N4 O12 -","- C28 H20 Br8 N4 O12 -","1","0.5","","Singha, Soumen; Goswami, Somen; Dey, Sanjoy Kumar; Jana, Rajkumar; Ray, Partha Pratim; Saha, Indrajit; Rizzoli, Corrado; Bag, Partha Pratim; Kumar, Sanjay; SAHA, RAJAT","Synergistic Effect of Various Intermolecular Interactions on Self-assembly and Optoelectronic Behaviour in Co-crystals/Salts of Tetrabromoterephthalic Acid: A Report on Their Structure, Theoretical Study and Hirshfeld Surface Analysis","CrystEngComm","2020","","","","","10.1039/D0CE01102A","","","0.71073","MoKα","","0.0348","0.0305","","","0.0762","0.0785","","","","","","1.059","","","","has coordinates","256843","2020-10-21","18:00:00",""
"7241327","9.4075","0.0004","18.8184","0.0005","21.0347","0.0009","90","","90","","90","","3723.9","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C52 H42 Br16 N8 O21 -","- C52 H42 Br16 N8 O21 -","- C104 H84 Br32 N16 O42 -","2","0.25","","Singha, Soumen; Goswami, Somen; Dey, Sanjoy Kumar; Jana, Rajkumar; Ray, Partha Pratim; Saha, Indrajit; Rizzoli, Corrado; Bag, Partha Pratim; Kumar, Sanjay; SAHA, RAJAT","Synergistic Effect of Various Intermolecular Interactions on Self-assembly and Optoelectronic Behaviour in Co-crystals/Salts of Tetrabromoterephthalic Acid: A Report on Their Structure, Theoretical Study and Hirshfeld Surface Analysis","CrystEngComm","2020","","","","","10.1039/D0CE01102A","","","0.71069","MoKα","","0.0619","0.0368","","","0.0769","0.0868","","","","","","1.073","","","","has coordinates","256843","2020-10-21","18:00:00",""
"7241328","12.374","0.003","12.165","0.003","17.437","0.005","90","","91.265","0.004","90","","2624.1","1.2","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C4 H24 Ag2 Mo5 N4 O25 P2 -","- C4 H24 Ag2 Mo5 N4 O25 P2 -","- C16 H96 Ag8 Mo20 N16 O100 P8 -","4","0.5","","Niu, Jingyang; Hua, Jiai; Yuan, Xin; Ma, Xiang; Ma, Pengtao; Wang, Jingping","A silver-substituted phosphomolybdate prevents the growth of bacteria without affecting the balance of reactive oxygen species","CrystEngComm","2020","","","","","10.1039/D0CE01283A","","","0.71073","MoKα","","0.0203","0.0189","","","0.0461","0.0468","","","","","","1.075","","","","has coordinates","256844","2020-10-21","18:00:00",""
"7241329","14.07","0.003","14.72","0.003","15.43","0.003","66.56","0.03","67.55","0.03","76.46","0.03","2697","1.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C133 H115 N9 O16 Zn2 -","- C133 H115 N9 O16 Zn2 -","- C133 H115 N9 O16 Zn2 -","1","0.5","","KNIAZEVA, Mariia; Ovsyannikov, Alexander; Islamov, Daut; Samigullina, Aida I.; Gubaidullin, Aidar Timergalievich; Dorovatovskii, Pavel; Solovieva, Svetlana; Igor, Antipin S.; Ferlay, Sylvie","Nuclearity control in calix[4]arene based zinc (II) coordination complexes","CrystEngComm","2020","","","","","10.1039/D0CE01232G","","","0.79313","synchrotron","","0.0493","0.0434","","","0.116","0.1203","","","","","","1.071","","","","has coordinates,has disorder","256845","2020-10-21","18:00:00",""
"7241330","16.713","0.003","17.962","0.004","16.109","0.003","90","","108.93","0.03","90","","4574.4","1.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H54 O11 S3 -","- C50 H54 O11 S3 -","- C200 H216 O44 S12 -","4","1","","KNIAZEVA, Mariia; Ovsyannikov, Alexander; Islamov, Daut; Samigullina, Aida I.; Gubaidullin, Aidar Timergalievich; Dorovatovskii, Pavel; Solovieva, Svetlana; Igor, Antipin S.; Ferlay, Sylvie","Nuclearity control in calix[4]arene based zinc (II) coordination complexes","CrystEngComm","2020","","","","","10.1039/D0CE01232G","","","0.79313","synchrotron","","0.0701","0.0462","","","0.1098","0.1227","","","","","","1.027","","","","has coordinates","256845","2020-10-21","18:00:00",""
"7241331","33.388","0.005","33.388","0.005","22.267","0.004","90","","90","","120","","21497","6","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C94 H84 N2 O18 Zn -","- C94 H84 N2 O18 Zn -","- C846 H756 N18 O162 Zn9 -","9","0.5","","KNIAZEVA, Mariia; Ovsyannikov, Alexander; Islamov, Daut; Samigullina, Aida I.; Gubaidullin, Aidar Timergalievich; Dorovatovskii, Pavel; Solovieva, Svetlana; Igor, Antipin S.; Ferlay, Sylvie","Nuclearity control in calix[4]arene based zinc (II) coordination complexes","CrystEngComm","2020","","","","","10.1039/D0CE01232G","","","0.79313","synchrotron","","0.0888","0.0707","","","0.2102","0.2269","","","","","","1.042","","","","has coordinates","256845","2020-10-21","18:00:00",""
"7241332","26.971","0.005","23.006","0.005","35.506","0.007","90","","90","","90","","22031","8","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C102 H120 N6 O27 S4 Zn3 -","- C102 H120 N6 O27 S4 Zn3 -","- C816 H960 N48 O216 S32 Zn24 -","8","1","","KNIAZEVA, Mariia; Ovsyannikov, Alexander; Islamov, Daut; Samigullina, Aida I.; Gubaidullin, Aidar Timergalievich; Dorovatovskii, Pavel; Solovieva, Svetlana; Igor, Antipin S.; Ferlay, Sylvie","Nuclearity control in calix[4]arene based zinc (II) coordination complexes","CrystEngComm","2020","","","","","10.1039/D0CE01232G","","","0.79312","synchrotron","","0.0943","0.0625","","","0.1719","0.1947","","","","","","1.036","","","","has coordinates,has disorder","256845","2020-10-21","18:00:00",""
"7241333","10.3969","0.0006","18.2975","0.0009","19.3503","0.0008","96.169","0.004","96.545","0.004","105.325","0.005","3490.6","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H64 Dy2 N6 O32 P8 -","- C50 H56 Dy2 N6 O28 P8 -","- C100 H112 Dy4 N12 O56 P16 -","2","1","","Wang, Guo-Ming; Wei, Wu-Ji; Zhang, Qian; Li, Qi; Chen, Yao-Yao; Gao, Pei; Li, Wei; Hu, Ji-Xiang","Triple responsive room temperature luminescence, photochromism and photomagnetism in a Dy(III)-based linear chain complex","CrystEngComm","2020","","","","","10.1039/D0CE01268H","","","0.71073","MoKα","","0.0576","0.0381","","","0.0876","0.0952","","","","","","0.999","","","","has coordinates","256877","2020-10-21","18:00:00",""
"7241340","7.7317","0.0013","11.617","0.002","20.846","0.004","90","","92.684","0.002","90","","1870.3","0.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C4 H16 Br6 N2 O Pb2 -","- C4 H16 Br6 N2 O Pb2 -","- C16 H64 Br24 N8 O4 Pb8 -","4","1","","Zhang, Wei-Feng; Zhao, Jian-Qiang; Sun, Xing-Yu; Ma, Yue-Yu; Pan, Hong-Mei; Jing, Zhihong; Lei, Xiao-Wu; Yao, Qingxia","Tetrameric Cluster Assembled One-Dimensional Hybrid Lead Halides with Broadband Light Emission","CrystEngComm","2020","","","","","10.1039/D0CE01202E","","","0.71073","MoKα","","0.0627","0.0413","","","0.0929","0.1015","","","","","","1.016","","","","has coordinates","256969","2020-10-21","18:00:00",""
"7241341","14.597","0.004","12.063","0.003","21.211","0.007","90","","91.264","0.003","90","","3734","1.9","296","2","296","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C14 H40 Br10 N4 Pb3 -","- C14 H40 Br10 N4 Pb3 -","- C56 H160 Br40 N16 Pb12 -","4","0.5","","Zhang, Wei-Feng; Zhao, Jian-Qiang; Sun, Xing-Yu; Ma, Yue-Yu; Pan, Hong-Mei; Jing, Zhihong; Lei, Xiao-Wu; Yao, Qingxia","Tetrameric Cluster Assembled One-Dimensional Hybrid Lead Halides with Broadband Light Emission","CrystEngComm","2020","","","","","10.1039/D0CE01202E","","","0.71073","MoKα","","0.0822","0.0518","","","0.1211","0.1349","","","","","","1.041","","","","has coordinates","256969","2020-10-21","18:00:00",""
"7241342","8.194","0.015","19.75","0.04","14.33","0.03","90","","92.072","0.017","90","","2318","8","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C9 H23 Br6 N2 O Pb2 -","- C9 H21 Br6 N2 O Pb2 -","- C36 H84 Br24 N8 O4 Pb8 -","4","2","","Zhang, Wei-Feng; Zhao, Jian-Qiang; Sun, Xing-Yu; Ma, Yue-Yu; Pan, Hong-Mei; Jing, Zhihong; Lei, Xiao-Wu; Yao, Qingxia","Tetrameric Cluster Assembled One-Dimensional Hybrid Lead Halides with Broadband Light Emission","CrystEngComm","2020","","","","","10.1039/D0CE01202E","","","0.71073","MoKα","","0.0778","0.0361","","","0.0535","0.0621","","","","","","0.952","","","","has coordinates","256969","2020-10-21","18:00:00",""
"7241343","24.6238","0.0017","11.6554","0.0008","14.3516","0.001","90","","124.349","0.003","90","","3400.6","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H40 Cl10 N4 Pb3 -","- C14 H40 Cl10 N4 Pb3 -","- C56 H160 Cl40 N16 Pb12 -","4","0.5","","Zhang, Wei-Feng; Zhao, Jian-Qiang; Sun, Xing-Yu; Ma, Yue-Yu; Pan, Hong-Mei; Jing, Zhihong; Lei, Xiao-Wu; Yao, Qingxia","Tetrameric Cluster Assembled One-Dimensional Hybrid Lead Halides with Broadband Light Emission","CrystEngComm","2020","","","","","10.1039/D0CE01202E","","","0.71073","MoKα","","0.0317","0.0242","","","0.0551","0.0575","","","","","","1.06","","","","has coordinates","256969","2020-10-21","18:00:00",""
"7241344","35.4","0.7","5.28","0.11","22.6","0.5","90","","118.2","0.5","90","","3723","14","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Claritin","Loratadine","","- C22 H23 Cl N2 O2 -","- C22 H23 Cl N2 O2 -","- C176 H184 Cl8 N16 O16 -","8","1","","Woollam, Grahame R.; Das, Partha P.; Mugnaioli, Enrico; Andrusenko, Iryna; Galanis, Athanassios S.; van de Streek, Jacco; Nicolopoulos, Stavros; Gemmi, Mauro; Wagner, Trixie","Structural Analysis of Metastable Pharmaceutical Loratadine Form II, by 3D Electron Diffraction and DFT+D Energy Minimisation","CrystEngComm","2020","","","","","10.1039/D0CE01216E","","electron","0.0335","electron","","0.5758","0.5807","","","0.8072","0.8195","","","","","","3.488","","","","has coordinates","256970","2020-10-21","18:00:00",""
"7241348","16.8773","0.0005","10.5015","0.0003","19.9631","0.0007","90","","90","","90","","3538.2","0.19","273","2","273.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H9 Cd2 N13 O2 -","- C13 H7 Cd2 N13 O2 -","- C104 H56 Cd16 N104 O16 -","8","1","","Zhang, Yingying; Hu, Mingjun; Lu, Guizhen; Qin, Na; Han, Suzhen; Zhu, Kaifang; Huang, Chao; Mi, Liwei","Nanosheets-assembled microflowers-like coordination polymers by surfactant-assisted assembly with enhanced catalytic activity","CrystEngComm","2020","","","","","10.1039/D0CE01248C","","","0.71073","MoKα","","0.0439","0.0364","","","0.11","0.1148","","","","","","1.052","","","","has coordinates","257195","2020-10-21","18:00:00",""
"7241349","13.8461","0.0003","13.8461","0.0003","23.381","0.001","90","","90","","90","","4482.5","0.2","273","2","273.15","","","","","","","","","5","I -4","I -4","82","","","","- C13 H12 N13 O3.5 Zn2 -","- C13 H5 N13 O1.5 Zn2 -","- C104 H40 N104 O12 Zn16 -","8","1","","Zhang, Yingying; Hu, Mingjun; Lu, Guizhen; Qin, Na; Han, Suzhen; Zhu, Kaifang; Huang, Chao; Mi, Liwei","Nanosheets-assembled microflowers-like coordination polymers by surfactant-assisted assembly with enhanced catalytic activity","CrystEngComm","2020","","","","","10.1039/D0CE01248C","","","0.71073","MoKα","","0.0836","0.0829","","","0.2219","0.224","","","","","","1.038","","","","has coordinates","257195","2020-10-21","18:00:00",""
"7241350","12.2664","0.0001","25.5555","0.0002","14.0136","0.0001","90","","95.385","0.001","90","","4373.51","0.06","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H46 Cl3 N3 O2 Ru S -","- C38 H46 Cl3 N3 O2 Ru S -","- C152 H184 Cl12 N12 O8 Ru4 S4 -","4","1","","Kia, Reza","Non-covalent Sulfoxide…(Nitrosyl Group) Interactions Involving Coordinated Nitrosyl in a Ru(II) Nitrosyl Complex with α-Diimine Ligand: Structural and Computational Studies","CrystEngComm","2020","","","","","10.1039/D0CE01063D","","","1.54184","CuKα","","0.0641","0.0617","","","0.1424","0.1433","","","","","","1.288","","","","has coordinates","257196","2020-10-21","18:00:00",""
"7241351","36.5063","0.0013","36.5063","0.0013","28.7488","0.0011","90","","90","","120","","33181","2","190","2","190","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C270 H270 Co24 N18 O84 S30 -","- C270 H270 Co24 N18 O84 S30 -","- C810 H810 Co72 N54 O252 S90 -","3","0.166667","","Li, Kaiyue; Liao, Wuping","Two Sulfur and Nitrogen-rich Cobalt-thiacalix[4]arene Compounds for Selective Mercury Removal from Aqueous Solution","CrystEngComm","2020","","","","","10.1039/D0CE01209B","","","1.54178","CuKα","","0.1528","0.1198","","","0.3145","0.3424","","","","","","1.292","","","","has coordinates","257197","2020-10-21","18:00:00",""
"7241352","49.4477","0.0009","49.4477","0.0009","39.5019","0.001","90","","90","","120","","83645","3","200","2","200","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C164 H176 Co8 N3 O20 S16 -","- C164 H176 Co8 N3 O20 S16 -","- C2952 H3168 Co144 N54 O360 S288 -","18","0.5","","Li, Kaiyue; Liao, Wuping","Two Sulfur and Nitrogen-rich Cobalt-thiacalix[4]arene Compounds for Selective Mercury Removal from Aqueous Solution","CrystEngComm","2020","","","","","10.1039/D0CE01209B","","","1.54178","CuKα","","0.0794","0.0628","","","0.1579","0.172","","","","","","0.989","","","","has coordinates","257197","2020-10-21","18:00:00",""
"7241353","12.4741","0.0011","23.658","0.002","16.9381","0.0015","90","","99.71","0.002","90","","4927","0.7","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C57 H45 Er N2 O6 -","- C57 H45 Er N2 O6 -","- C228 H180 Er4 N8 O24 -","4","1","","Liu, Shan-Shan; Liu, Bin; Ding, Man-Man; Meng, Yin-Shan; Jing, Jia-Hui; Zhang, Yi-Quan; Wang, Xincheng; Lin, Shijing","Substituent effects of auxiliary ligand in mononuclear dibenzoylmethane DyIII/ErIII complexes: Single-molecule magnetic behavior and luminescence properties","CrystEngComm","2020","","","","","10.1039/D0CE01147A","","","0.71073","MoKα","","0.0939","0.0536","","","0.0968","0.1047","","","","","","1.008","","","","has coordinates","258210","2020-10-21","18:00:00",""
"7241354","10.4163","0.0011","21.9688","0.0019","16.7477","0.0015","90","","94.344","0.002","90","","3821.4","0.6","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H34 Er N3 O9 -","- C42 H34 Er N3 O9 -","- C168 H136 Er4 N12 O36 -","4","1","","Liu, Shan-Shan; Liu, Bin; Ding, Man-Man; Meng, Yin-Shan; Jing, Jia-Hui; Zhang, Yi-Quan; Wang, Xincheng; Lin, Shijing","Substituent effects of auxiliary ligand in mononuclear dibenzoylmethane DyIII/ErIII complexes: Single-molecule magnetic behavior and luminescence properties","CrystEngComm","2020","","","","","10.1039/D0CE01147A","","","0.71073","MoKα","","0.1019","0.0609","","","0.1282","0.1422","","","","","","1.06","","","","has coordinates","258210","2020-10-21","18:00:00",""
"7241355","10.2307","0.0001","21.9678","0.0002","16.5575","0.0002","90","","93.802","0.001","90","","3713.04","0.07","179.99","0.1","179.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H34 Dy N3 O9 -","- C42 H34 Dy N3 O9 -","- C168 H136 Dy4 N12 O36 -","4","1","","Liu, Shan-Shan; Liu, Bin; Ding, Man-Man; Meng, Yin-Shan; Jing, Jia-Hui; Zhang, Yi-Quan; Wang, Xincheng; Lin, Shijing","Substituent effects of auxiliary ligand in mononuclear dibenzoylmethane DyIII/ErIII complexes: Single-molecule magnetic behavior and luminescence properties","CrystEngComm","2020","","","","","10.1039/D0CE01147A","","x-ray","1.54184","CuKα","","0.048","0.0433","","","0.1056","0.1085","","","","","","1.056","","","","has coordinates","258210","2020-10-21","18:00:00",""
"7241356","12.332","0.0003","23.147","0.0005","16.8143","0.0004","90","","100.087","0.002","90","","4725.43","0.19","180","0.1","180","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C57 H45 Dy N2 O6 -","- C57 H45 Dy N2 O6 -","- C228 H180 Dy4 N8 O24 -","4","1","","Liu, Shan-Shan; Liu, Bin; Ding, Man-Man; Meng, Yin-Shan; Jing, Jia-Hui; Zhang, Yi-Quan; Wang, Xincheng; Lin, Shijing","Substituent effects of auxiliary ligand in mononuclear dibenzoylmethane DyIII/ErIII complexes: Single-molecule magnetic behavior and luminescence properties","CrystEngComm","2020","","","","","10.1039/D0CE01147A","","","0.71073","MoKα","","0.0491","0.034","","","0.0861","0.0966","","","","","","1.091","","","","has coordinates","258210","2020-10-21","18:00:00",""
"7241357","10.7133","0.0007","18.9023","0.0011","21.6443","0.0013","90","","90","","90","","4383.1","0.5","150.15","","150.15","","","","","","","","","8","C c c m","-C 2 2c","66","","","","- C18 H30 Cs N10 Nd O7 Re6 S8 -","- C18 H30 Cs N10 Nd O7.16 Re6 S8 -","- C72 H120 Cs4 N40 Nd4 O28.64 Re24 S32 -","4","0.25","","Litvinova, Yulia M.; Gayfulin, Yakov M.; Brylev, Konstantin; Piryazev, Dmitry A.; van Leusen, Jan; Kögerler, Paul; Mironov, Yuri V.","Metal-organic frameworks with solvent-free lanthanide coordination environments: synthesis from aqueous ethanol solutions","CrystEngComm","2020","","","","","10.1039/D0CE01240H","","","0.71073","MoKα","","0.0186","0.0172","","","0.0374","0.0377","","","","","","1.175","","","","has coordinates","258211","2020-10-21","18:00:00",""
"7241358","10.8248","0.0017","10.8248","0.0017","32.123","0.005","90","","90","","120","","3259.8","0.9","150","0.1","150","0.1","","","","","","","","8","P 64 2 2","P 64 2 (0 0 2)","181","","","","- C18 H30 Cs N10 O7 Re6 Se8 Tb -","- C18 H28 Cs N10 O6 Re6 Se8 Tb -","- C54 H84 Cs3 N30 O18 Re18 Se24 Tb3 -","3","0.25","","Litvinova, Yulia M.; Gayfulin, Yakov M.; Brylev, Konstantin; Piryazev, Dmitry A.; van Leusen, Jan; Kögerler, Paul; Mironov, Yuri V.","Metal-organic frameworks with solvent-free lanthanide coordination environments: synthesis from aqueous ethanol solutions","CrystEngComm","2020","","","","","10.1039/D0CE01240H","","","0.71073","MoKα","","0.052","0.0448","","","0.1082","0.1108","","","","","","1.107","","","","has coordinates,has disorder","258211","2020-10-21","18:00:00",""
"7241359","16.8431","0.0004","44.1352","0.0007","27.1376","0.0006","90","","107.142","0.002","90","","19277.2","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C114 H101 Dy12 N20 O58 -","- C114 H101 Dy12 N20 O58 -","- C456 H404 Dy48 N80 O232 -","4","0.5","","Wang, Wei; Zhang, Jing; Zhao, Ji-Hai; He, Yuan-Chun; Li, Meng-Ting; Yu, Yang","Lanthanide(III) Dodecanuclear Structure with Acylyhydrazone Schiff-base Ligand: Slow Magnetic Relaxation and Magnetocaloric Effects","CrystEngComm","2020","","","","","10.1039/D0CE01339K","","x-ray","0.71073","MoKα","","0.0358","0.0298","","","0.1046","0.1091","","","","","","1.148","","","","has coordinates,has disorder","258212","2020-10-21","18:00:00",""
"7241373","5.868","0.004","9.531","0.006","10.618","0.006","107.56","0.05","93.87","0.06","106.2","0.06","536.2","0.6","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 N2 O2 S4 -","- C20 H20 N2 O2 S4 -","- C20 H20 N2 O2 S4 -","1","0.5","","Sumimoto, Yuji; Iijima, Kodai; Yoo, Dongho; Kawamoto, Tadashi; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko","Structures and transistor properties of extended and unsymmetrical birhodanines","CrystEngComm","2020","","","","","10.1039/D0CE01133A","","","0.71069","MoKα","","0.1255","0.0447","","","0.0986","0.124","","","","","","0.986","","","","has coordinates,has disorder","258246","2020-10-21","18:00:00",""
"7241374","11.429","0.004","7.888","0.003","7.254","0.003","90","","99.2","0.03","90","","645.5","0.4","297","","297","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 N2 O2 S4 -","- C9 H8 N2 O2 S4 -","- C18 H16 N4 O4 S8 -","2","0.5","","Sumimoto, Yuji; Iijima, Kodai; Yoo, Dongho; Kawamoto, Tadashi; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko","Structures and transistor properties of extended and unsymmetrical birhodanines","CrystEngComm","2020","","","","","10.1039/D0CE01133A","","","0.71069","MoKα","","0.1078","0.0563","","","0.1445","0.1713","","","","","","1.034","","","","has coordinates,has disorder","258246","2020-10-21","18:00:00",""
"7241375","12.6138","0.0004","5.52905","0.00016","16.8453","0.0005","90","","100.868","0.0015","90","","1153.76","0.06","274","","274","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H16 N2 O2 S4 -","- C26 H16 N2 O2 S4 -","- C52 H32 N4 O4 S8 -","2","0.5","","Sumimoto, Yuji; Iijima, Kodai; Yoo, Dongho; Kawamoto, Tadashi; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko","Structures and transistor properties of extended and unsymmetrical birhodanines","CrystEngComm","2020","","","","","10.1039/D0CE01133A","","","1.54187","CuKα","","0.1625","0.1024","","","0.2524","0.3367","","","","","","1.235","","","","has coordinates","258246","2020-10-21","18:00:00",""
"7241376","4.8107","0.0004","9.0732","0.0006","11.0382","0.0006","108.24","0.003","98.143","0.004","96.693","0.004","446.3","0.05","274","","274","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H10 N2 O2 S4 -","- C18 H10 N2 O2 S4 -","- C18 H10 N2 O2 S4 -","1","0.5","","Sumimoto, Yuji; Iijima, Kodai; Yoo, Dongho; Kawamoto, Tadashi; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko","Structures and transistor properties of extended and unsymmetrical birhodanines","CrystEngComm","2020","","","","","10.1039/D0CE01133A","","","1.54187","CuKα","","0.1228","0.0796","","","0.1775","0.2371","","","","","","0.972","","","","has coordinates","258246","2020-10-21","18:00:00",""
"7241377","25.445","0.006","8.045","0.004","7.101","0.002","90","","93.45","0.02","90","","1451","0.9","297","","297","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 N2 O2 S4 -","- C11 H12 N2 O2 S4 -","- C44 H48 N8 O8 S16 -","4","1","","Sumimoto, Yuji; Iijima, Kodai; Yoo, Dongho; Kawamoto, Tadashi; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko","Structures and transistor properties of extended and unsymmetrical birhodanines","CrystEngComm","2020","","","","","10.1039/D0CE01133A","","","0.71069","MoKα","","0.1038","0.0447","","","0.117","0.1402","","","","","","1.014","","","","has coordinates","258246","2020-10-21","18:00:00",""
"7241378","14.3245","0.0009","4.9698","0.0003","19.9041","0.0012","90","","106.595","0.003","90","","1357.95","0.15","274","","274","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 N2 O2 S4 -","- C10 H10 N2 O2 S4 -","- C40 H40 N8 O8 S16 -","4","1","","Sumimoto, Yuji; Iijima, Kodai; Yoo, Dongho; Kawamoto, Tadashi; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko","Structures and transistor properties of extended and unsymmetrical birhodanines","CrystEngComm","2020","","","","","10.1039/D0CE01133A","","","1.54187","CuKα","","0.1507","0.074","","","0.1579","0.2123","","","","","","0.876","","","","has coordinates","258246","2020-10-21","18:00:00",""
"7241379","26.578","0.007","7.813","0.003","7.2475","0.0012","90","","93.773","0.017","90","","1501.7","0.7","297","","297","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 N2 O2 S4 -","- C11 H12 N2 O2 S4 -","- C44 H48 N8 O8 S16 -","4","1","","Sumimoto, Yuji; Iijima, Kodai; Yoo, Dongho; Kawamoto, Tadashi; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko","Structures and transistor properties of extended and unsymmetrical birhodanines","CrystEngComm","2020","","","","","10.1039/D0CE01133A","","","0.71069","MoKα","","0.1071","0.0431","","","0.114","0.1402","","","","","","1.018","","","","has coordinates","258246","2020-10-21","18:00:00",""
"7241384","16.6683","0.0012","7.2365","0.0004","14.3065","0.0012","90","","119.049","0.01","90","","1508.6","0.2","296","","296","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H6 Ag Cl4 N3 O3 -","- C10 H6 Ag Cl4 N3 O3 -","- C40 H24 Ag4 Cl16 N12 O12 -","4","0.5","","Roca, Suncica; Hok, Lucija; Vianello, Robert; Borovina, Mladen; Đaković, Marijana; Karanovic, Ljiljana; Vikic-Topic, Drazen; Popovic, Zora","The role of non-covalent intermolecular interactions on the diversity of crystal packing in the supramolecular dihalopyridine-silver(I) nitrate complexes","CrystEngComm","2020","","","","","10.1039/D0CE01257B","","x-ray","0.71073","MoKα","","0.0379","0.0268","","","0.069","0.0723","","","","","","1.026","","","","has coordinates","258321","2020-10-21","18:00:00",""
"7241385","8.2976","0.0005","13.7115","0.0009","14.1141","0.0009","73.313","0.006","80.742","0.005","81.585","0.005","1509.6","0.17","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H12 Ag2 Cl8 N6 O6 -","- C20 H12 Ag2 Cl8 N6 O6 -","- C40 H24 Ag4 Cl16 N12 O12 -","2","1","","Roca, Suncica; Hok, Lucija; Vianello, Robert; Borovina, Mladen; Đaković, Marijana; Karanovic, Ljiljana; Vikic-Topic, Drazen; Popovic, Zora","The role of non-covalent intermolecular interactions on the diversity of crystal packing in the supramolecular dihalopyridine-silver(I) nitrate complexes","CrystEngComm","2020","","","","","10.1039/D0CE01257B","","x-ray","0.71073","MoKα","","0.0477","0.0337","","","0.0861","0.0901","","","","","","1.043","","","","has coordinates","258321","2020-10-21","18:00:00",""
"7241386","8.1687","0.0006","13.9793","0.001","14.6804","0.0008","90","","90","","90","","1676.39","0.19","296","","296","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H6 Ag Br4 N3 O3 -","- C10 H6 Ag Br4 N3 O3 -","- C40 H24 Ag4 Br16 N12 O12 -","4","1","","Roca, Suncica; Hok, Lucija; Vianello, Robert; Borovina, Mladen; Đaković, Marijana; Karanovic, Ljiljana; Vikic-Topic, Drazen; Popovic, Zora","The role of non-covalent intermolecular interactions on the diversity of crystal packing in the supramolecular dihalopyridine-silver(I) nitrate complexes","CrystEngComm","2020","","","","","10.1039/D0CE01257B","","x-ray","0.71073","MoKα","","0.0434","0.0327","","","0.0678","0.0723","","","","","","1.021","","","","has coordinates","258321","2020-10-21","18:00:00",""
"7241387","19.2103","0.0003","19.2103","0.0003","16.6266","0.0005","90","","90","","90","","6135.8","0.2","296","","296.15","","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C10 H6 Ag Cl4 N3 O3 -","- C10 H6 Ag Cl4 N3 O3 -","- C160 H96 Ag16 Cl64 N48 O48 -","16","0.5","","Roca, Suncica; Hok, Lucija; Vianello, Robert; Borovina, Mladen; Đaković, Marijana; Karanovic, Ljiljana; Vikic-Topic, Drazen; Popovic, Zora","The role of non-covalent intermolecular interactions on the diversity of crystal packing in the supramolecular dihalopyridine-silver(I) nitrate complexes","CrystEngComm","2020","","","","","10.1039/D0CE01257B","","x-ray","0.71073","MoKα","","0.035","0.0249","","","0.0614","0.0639","","","","","","1.052","","","","has coordinates","258321","2020-10-21","18:00:00",""
"7241388","8.3416","0.0004","20.5345","0.0012","9.6839","0.0006","90","","103.852","0.006","90","","1610.52","0.16","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6 Ag Br4 N3 O3 -","- C10 H6 Ag Br4 N3 O3 -","- C40 H24 Ag4 Br16 N12 O12 -","4","1","","Roca, Suncica; Hok, Lucija; Vianello, Robert; Borovina, Mladen; Đaković, Marijana; Karanovic, Ljiljana; Vikic-Topic, Drazen; Popovic, Zora","The role of non-covalent intermolecular interactions on the diversity of crystal packing in the supramolecular dihalopyridine-silver(I) nitrate complexes","CrystEngComm","2020","","","","","10.1039/D0CE01257B","","x-ray","0.71073","MoKα","","0.0443","0.035","","","0.0888","0.0942","","","","","","1.054","","","","has coordinates","258321","2020-10-21","18:00:00",""
"7241389","19.3089","0.0008","19.3089","0.0008","17.5217","0.0012","90","","90","","90","","6532.7","0.6","296","","296.15","","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C10 H6 Ag Br4 N3 O3 -","- C10 H6 Ag Br4 N3 O3 -","- C160 H96 Ag16 Br64 N48 O48 -","16","0.5","","Roca, Suncica; Hok, Lucija; Vianello, Robert; Borovina, Mladen; Đaković, Marijana; Karanovic, Ljiljana; Vikic-Topic, Drazen; Popovic, Zora","The role of non-covalent intermolecular interactions on the diversity of crystal packing in the supramolecular dihalopyridine-silver(I) nitrate complexes","CrystEngComm","2020","","","","","10.1039/D0CE01257B","","x-ray","0.71073","MoKα","","0.0559","0.0306","","","0.0586","0.063","","","","","","1.055","","","","has coordinates","258321","2020-10-21","18:00:00",""
"7241391","6.5678","0.0008","6.0983","0.0007","7.8715","0.0008","90","","90","","90","","315.27","0.06","298","2","298","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Oxalic acid alpha polymorph","","- C2 H2 O4 -","- C2 H2 O4 -","- C8 H8 O16 -","4","0.5","","Bhattacharya, Suman","Thermal expansion and dimensionality of the hydrogen bond network: a case study on dimorphic Oxalic acid","CrystEngComm","2020","","","","","10.1039/D0CE01080D","","","0.71073","MoKα","","0.0281","0.0254","","","0.0661","0.0671","","","","","","1.105","","","","has coordinates","258352","2020-10-21","18:00:00",""
"7241392","6.5224","0.0011","6.0741","0.0008","7.8268","0.0012","90","","90","","90","","310.08","0.08","228","2","228","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Oxalic acid alpha polymorph","","- C2 H2 O4 -","- C2 H2 O4 -","- C8 H8 O16 -","4","0.5","","Bhattacharya, Suman","Thermal expansion and dimensionality of the hydrogen bond network: a case study on dimorphic Oxalic acid","CrystEngComm","2020","","","","","10.1039/D0CE01080D","","","0.71073","MoKα","","0.0299","0.0284","","","0.0683","0.0692","","","","","","1.126","","","","has coordinates","258352","2020-10-21","18:00:00",""
"7241393","6.4914","0.0005","6.0556","0.0005","7.802","0.0005","90","","90","","90","","306.69","0.04","156","2","156","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Oxalic acid alpha polymorph","","- C2 H2 O4 -","- C2 H2 O4 -","- C8 H8 O16 -","4","0.5","","Bhattacharya, Suman","Thermal expansion and dimensionality of the hydrogen bond network: a case study on dimorphic Oxalic acid","CrystEngComm","2020","","","","","10.1039/D0CE01080D","","","0.71073","MoKα","","0.0273","0.0259","","","0.0661","0.0672","","","","","","1.109","","","","has coordinates","258352","2020-10-21","18:00:00",""
"7241394","6.5045","0.0006","6.064","0.0006","7.8072","0.0009","90","","90","","90","","307.94","0.05","192","2","192","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Oxalic acid alpha polymorph","","- C2 H2 O4 -","- C2 H2 O4 -","- C8 H8 O16 -","4","0.5","","Bhattacharya, Suman","Thermal expansion and dimensionality of the hydrogen bond network: a case study on dimorphic Oxalic acid","CrystEngComm","2020","","","","","10.1039/D0CE01080D","","","0.71073","MoKα","","0.0287","0.0266","","","0.0668","0.0684","","","","","","1.173","","","","has coordinates","258352","2020-10-21","18:00:00",""
"7241395","6.5399","0.0011","6.0841","0.0007","7.8385","0.0012","90","","90","","90","","311.89","0.08","264","2","264","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Oxalic acid alpha polymorph","","- C2 H2 O4 -","- C2 H2 O4 -","- C8 H8 O16 -","4","0.5","","Bhattacharya, Suman","Thermal expansion and dimensionality of the hydrogen bond network: a case study on dimorphic Oxalic acid","CrystEngComm","2020","","","","","10.1039/D0CE01080D","","","0.71073","MoKα","","0.0277","0.0263","","","0.0644","0.0652","","","","","","1.122","","","","has coordinates","258352","2020-10-21","18:00:00",""
"7241396","25.0469","0.0004","10.1507","0.0002","16.1021","0.0003","90","","100.547","0.001","90","","4024.69","0.13","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H36 Cu2 N10 O4 Zn -","- C40 H36 Cu2 N10 O4 Zn -","- C160 H144 Cu8 N40 O16 Zn4 -","4","0.5","","Maity, Souvik; Ghosh, Tanmoy Kumar; Gomila, Rosa Maria; Frontera, Antonio; Ghosh, Ashutosh","Recurrent π(arene)•••π(chelate ring) motifs in four trinuclear CuII2MII (M = Cd/Zn) complexes derived from an unsymmetrical N2O2 donor ligand: structural and theoretical investigations","CrystEngComm","2020","","","","","10.1039/D0CE01219J","","","0.71073","MoKα","","0.0643","0.0508","","","0.165","0.1767","","","","","","1.43","","","","has coordinates,has disorder","258353","2020-10-21","18:00:00",""
"7241397","25.3683","0.0016","10.4046","0.0007","15.3557","0.0009","90","","94.108","0.004","90","","4042.7","0.4","296","2","296","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C37 H38 Cd Cl Cu2 N5 O9 S -","- C37 H38 Cd Cl Cu2 N5 O9 S -","- C148 H152 Cd4 Cl4 Cu8 N20 O36 S4 -","4","1","","Maity, Souvik; Ghosh, Tanmoy Kumar; Gomila, Rosa Maria; Frontera, Antonio; Ghosh, Ashutosh","Recurrent π(arene)•••π(chelate ring) motifs in four trinuclear CuII2MII (M = Cd/Zn) complexes derived from an unsymmetrical N2O2 donor ligand: structural and theoretical investigations","CrystEngComm","2020","","","","","10.1039/D0CE01219J","","","0.71073","MoKα","","0.0561","0.0454","","","0.1196","0.1303","","","","","","1.136","","","","has coordinates,has disorder","258353","2020-10-21","18:00:00",""
"7241398","18.017","0.003","12.935","0.002","19.308","0.003","90","","117.267","0.002","90","","3999.7","1.1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H39 Cu2 N7 O4 S2 Zn -","- C40 H39 Cu2 N7 O4 S2 Zn -","- C160 H156 Cu8 N28 O16 S8 Zn4 -","4","1","","Maity, Souvik; Ghosh, Tanmoy Kumar; Gomila, Rosa Maria; Frontera, Antonio; Ghosh, Ashutosh","Recurrent π(arene)•••π(chelate ring) motifs in four trinuclear CuII2MII (M = Cd/Zn) complexes derived from an unsymmetrical N2O2 donor ligand: structural and theoretical investigations","CrystEngComm","2020","","","","","10.1039/D0CE01219J","","","0.71073","MoKα","","0.0935","0.0434","","","0.0981","0.1192","","","","","","0.938","","","","has coordinates","258353","2020-10-21","18:00:00",""
"7241399","25.5879","0.0019","10.0363","0.0008","15.8719","0.0012","90","","99.931","0.003","90","","4015","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H36 Cd Cu2 N10 O4 -","- C39.9998 H36 Cd Cu2 N9.9998 O4 -","- C159.999 H144 Cd4 Cu8 N39.9992 O16 -","4","0.5","","Maity, Souvik; Ghosh, Tanmoy Kumar; Gomila, Rosa Maria; Frontera, Antonio; Ghosh, Ashutosh","Recurrent π(arene)•••π(chelate ring) motifs in four trinuclear CuII2MII (M = Cd/Zn) complexes derived from an unsymmetrical N2O2 donor ligand: structural and theoretical investigations","CrystEngComm","2020","","","","","10.1039/D0CE01219J","","","0.71073","MoKα","","0.0672","0.052","","","0.1611","0.1694","","","","","","1.485","","","","has coordinates,has disorder","258353","2020-10-21","18:00:00",""
"7241400","6.4413","0.0005","11.5184","0.001","12.4869","0.0011","90","","102.852","0.0013","90","","903.24","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,3-Dibromo-N,N-dimethyl-N,N-diphenylfumaramide","","- C18 H16 Br2 N2 O2 -","- C18 H16 Br2 N2 O2 -","- C36 H32 Br4 N4 O4 -","2","0.5","","Nitti, Andrea; Botta, Chiara; Forni, Alessandra; Cariati, Elena; Lucenti, Elena; Pasini, Dario","Crystallization-Induced Room-Temperature Phosphorescence in Fumaramides","CrystEngComm","2020","","","","","10.1039/D0CE01253J","","","0.71073","MoKα","","0.0402","0.0289","","","0.0669","0.0713","","","","","","1.048","","","","has coordinates","258409","2020-10-21","18:00:00",""
"7241401","18.21","0.02","7.066","0.008","19.77","0.02","90","","110.968","0.01","90","","2375","4","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N, N-dimethyl-N, N-diphenylfumaramide","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C108 H108 N12 O12 -","6","1.5","","Nitti, Andrea; Botta, Chiara; Forni, Alessandra; Cariati, Elena; Lucenti, Elena; Pasini, Dario","Crystallization-Induced Room-Temperature Phosphorescence in Fumaramides","CrystEngComm","2020","","","","","10.1039/D0CE01253J","","","0.71073","MoKα","","0.221","0.0898","","","0.2022","0.2795","","","","","","0.959","","","","has coordinates","258409","2020-10-21","18:00:00",""
"7241408","7.1634","0.0001","17.9692","0.0003","13.1115","0.0002","90","","101.212","0.002","90","","1655.51","0.05","150.01","0.1","150.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H13 F N2 O8 -","- C19 H13 F N2 O8 -","- C76 H52 F4 N8 O32 -","4","1","","Lv, Wen-Ting; Liu, Xiao-Xu; Dai, Xia-Lin; Long, Xiangtian; Chen, Jia-Mei","A 5-fluorouracil-kaempferol drug-drug cocrystal: ternary phase diagram, characterization and property evaluation","CrystEngComm","2020","","","","","10.1039/D0CE01289K","","x-ray","1.54184","CuKα","","0.0467","0.0438","","","0.1172","0.1197","","","","","","1.069","","","","has coordinates","258456","2020-10-21","18:00:00",""
"7241414","8.279","0.017","11.9","0.03","20.37","0.04","90","","90","","90","","2007","8","273","2","273.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Boc-Phe-Aib-OMe","","","- C19 H28 N2 O5 -","- C19 H28 N2 O5 -","- C76 H112 N8 O20 -","4","1","","Kumar, Santosh; Nandi, Sujay; Suman, Saurav; Haldar, Debasish","A new dipeptide as selective gelator of Cu(II), Zn(II), Pb(II)","CrystEngComm","2020","","","","","10.1039/D0CE01199A","","","0.71073","MoKα","","0.0873","0.0586","","","0.1296","0.146","","","","","","0.96","","","","has coordinates","258484","2020-10-21","18:00:00",""
"7241415","10.9817","0.0006","5.3645","0.0003","14.6541","0.0009","90","","109.547","0.006","90","","813.54","0.09","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","N-PhenylGly-Phe-OMe","","","- C18 H20 N2 O3 -","- C18 H20 N2 O3 -","- C36 H40 N4 O6 -","2","1","","Kumar, Santosh; Nandi, Sujay; Suman, Saurav; Haldar, Debasish","A new dipeptide as selective gelator of Cu(II), Zn(II), Pb(II)","CrystEngComm","2020","","","","","10.1039/D0CE01199A","","x-ray","1.54184","CuKα","","0.0392","0.0374","","","0.1009","0.1027","","","","","","1.048","","","","has coordinates","258484","2020-10-21","18:00:00",""
"7241416","11.6077","0.0004","5.8948","0.0002","23.3133","0.001","90","","100.55","0.004","90","","1568.25","0.1","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Boc-Gly-Aib-OMe","","","- C12 H22 N2 O5 -","- C12 H22 N2 O5 -","- C48 H88 N8 O20 -","4","1","","Kumar, Santosh; Nandi, Sujay; Suman, Saurav; Haldar, Debasish","A new dipeptide as selective gelator of Cu(II), Zn(II), Pb(II)","CrystEngComm","2020","","","","","10.1039/D0CE01199A","","x-ray","1.54184","CuKα","","0.0618","0.0465","","","0.1188","0.1307","","","","","","1.05","","","","has coordinates","258484","2020-10-21","18:00:00",""
"7241419","14.167","0.0002","14.5777","0.0002","17.038","0.0002","89.14","0.001","79.848","0.001","62.998","0.001","3077.58","0.08","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C76 H42 N8 O17 Zn2 -","- C76 H42 N8 O17 Zn2 -","- C152 H84 N16 O34 Zn4 -","2","1","","Zhang, Le-Tian; Xia, Bin; Zhang, Xia; Lu, Sha; Zhou, Xian-Xian; Li, Quan-Wen; Wang, Qing-Lun","Photochromism and photoresponsive luminescence in naphthalenediimide coordination polymers with high thermostability","CrystEngComm","2021","23","1","140","145","10.1039/D0CE01317J","","x-ray","1.54184","CuKα","","0.0412","0.0391","","","0.1126","0.1144","","","","","","1.041","","","","has coordinates","261594","2021-02-04","22:56:50",""
"7241420","18.6379","0.0002","11.3482","0.0001","28.6405","0.0003","90","","90","","90","","6057.66","0.11","120","0.1","120","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C38 H22 Cd N4 O9 -","- C38 H22 Cd N4 O9 -","- C304 H176 Cd8 N32 O72 -","8","1","","Zhang, Le-Tian; Xia, Bin; Zhang, Xia; Lu, Sha; Zhou, Xian-Xian; Li, Quan-Wen; Wang, Qing-Lun","Photochromism and photoresponsive luminescence in naphthalenediimide coordination polymers with high thermostability","CrystEngComm","2021","23","1","140","145","10.1039/D0CE01317J","","x-ray","1.54184","CuKα","","0.0277","0.0259","","","0.0684","0.0694","","","","","","1.073","","","","has coordinates","261594","2021-02-04","22:56:50",""
"7241434","21.8025","0.0003","26.2621","0.0004","29.1639","0.0004","90","","90","","90","","16698.6","0.4","293","2","293","2","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C38 H31 Ag4 N18 O4.5 -","- C38 H29 Ag4 N18 O4.5 -","- C608 H464 Ag64 N288 O72 -","16","1","","Xue, Zhen-Zhen; Li, Xin-Yu; Xu, Lei; Han, Song-De; Pan, Jie; Wang, Guo-Ming","Novel silver(i) cluster-based coordination polymers as efficient luminescent thermometers","CrystEngComm","2021","23","1","56","63","10.1039/D0CE01507E","","","1.54178","CuKα","","0.0331","0.0301","","","0.0769","0.0782","","","","","","1.027","","","","has coordinates","261599","2021-02-04","22:57:50",""
"7241435","14.8663","0.0011","7.3955","0.0008","20.839","0.002","90","","119.363","0.006","90","","1996.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H11 Ag3 I N9 -","- C19 H11 Ag3 I N9 -","- C76 H44 Ag12 I4 N36 -","4","1","","Xue, Zhen-Zhen; Li, Xin-Yu; Xu, Lei; Han, Song-De; Pan, Jie; Wang, Guo-Ming","Novel silver(i) cluster-based coordination polymers as efficient luminescent thermometers","CrystEngComm","2021","23","1","56","63","10.1039/D0CE01507E","","","0.71073","MoKα","","0.0959","0.0513","","","0.1049","0.1334","","","","","","0.992","","","","has coordinates","261599","2021-02-04","22:57:50",""
"7241436","13.8553","0.0013","14.7279","0.0014","17.3368","0.0016","77.107","0.002","69.802","0.002","85.275","0.002","3236.4","0.5","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H15 Au F13 P -","- C36 H15 Au F13 P -","- C144 H60 Au4 F52 P4 -","4","2","","Sava, Alexandru; Kegyes, Krisztina T.; Popuş, Bianca T.; Dan, Bernadette C.; Silvestru, Cristian; Raţ, Ciprian I.","Halogen bonding between entirely negative fluorine atoms? Evidence from the crystal packing of some gold(i) and gold(iii) complexes with extensively fluorinated m-terphenyl ligands and triphenylphosphane","CrystEngComm","2020","","","","","10.1039/D0CE00671H","","","0.71073","MoKα","","0.0523","0.0406","","","0.0969","0.1033","","","","","","1.002","","","","has coordinates","259281","2020-11-29","02:21:04",""
"7241437","14.723","0.002","12.174","0.0018","24.203","0.004","90","","99.761","0.003","90","","4275.3","1.1","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H18 Au Cl5 F15 P -","- C43 H18 Au Cl5 F15 P -","- C172 H72 Au4 Cl20 F60 P4 -","4","1","","Sava, Alexandru; Kegyes, Krisztina T.; Popuş, Bianca T.; Dan, Bernadette C.; Silvestru, Cristian; Raţ, Ciprian I.","Halogen bonding between entirely negative fluorine atoms? Evidence from the crystal packing of some gold(i) and gold(iii) complexes with extensively fluorinated m-terphenyl ligands and triphenylphosphane","CrystEngComm","2020","","","","","10.1039/D0CE00671H","","","0.71073","MoKα","","0.0489","0.0392","","","0.0935","0.0976","","","","","","0.999","","","","has coordinates","259281","2020-11-29","02:21:04",""
"7241438","8.861","0.003","9.823","0.004","19.31","0.007","83.09","0.006","89.197","0.007","77.683","0.007","1630","1","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H20 Au F10 P -","- C37 H20 Au F10 P -","- C74 H40 Au2 F20 P2 -","2","1","","Sava, Alexandru; Kegyes, Krisztina T.; Popuş, Bianca T.; Dan, Bernadette C.; Silvestru, Cristian; Raţ, Ciprian I.","Halogen bonding between entirely negative fluorine atoms? Evidence from the crystal packing of some gold(i) and gold(iii) complexes with extensively fluorinated m-terphenyl ligands and triphenylphosphane","CrystEngComm","2020","","","","","10.1039/D0CE00671H","","","0.71073","MoKα","","0.0481","0.0395","","","0.091","0.1021","","","","","","1.026","","","","has coordinates","259281","2020-11-29","02:21:05",""
"7241439","10.384","0.0004","15.1675","0.0006","24.3914","0.001","90","","96.95","0.004","90","","3813.4","0.3","200.1","0.3","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H16 Au Cl5 F13 P -","- C37 H16 Au Cl5 F13 P -","- C148 H64 Au4 Cl20 F52 P4 -","4","1","","Sava, Alexandru; Kegyes, Krisztina T.; Popuş, Bianca T.; Dan, Bernadette C.; Silvestru, Cristian; Raţ, Ciprian I.","Halogen bonding between entirely negative fluorine atoms? Evidence from the crystal packing of some gold(i) and gold(iii) complexes with extensively fluorinated m-terphenyl ligands and triphenylphosphane","CrystEngComm","2020","","","","","10.1039/D0CE00671H","","","0.71073","MoKα","","0.0474","0.0355","","","0.0694","0.0733","","","","","","1.035","","","","has coordinates","259281","2020-11-29","02:21:05",""
"7241440","29.979","0.005","29.979","0.005","23.525","0.009","90","","90","","120","","18310","8","294","2","294","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C37 H20 Au Cl2 F10 P -","- C37 H20 Au Cl2 F10 P -","- C666 H360 Au18 Cl36 F180 P18 -","18","1","","Sava, Alexandru; Kegyes, Krisztina T.; Popuş, Bianca T.; Dan, Bernadette C.; Silvestru, Cristian; Raţ, Ciprian I.","Halogen bonding between entirely negative fluorine atoms? Evidence from the crystal packing of some gold(i) and gold(iii) complexes with extensively fluorinated m-terphenyl ligands and triphenylphosphane","CrystEngComm","2020","","","","","10.1039/D0CE00671H","","","0.71073","MoKα","","0.129","0.0595","","","0.1254","0.1475","","","","","","0.905","","","","has coordinates","259281","2020-11-29","02:21:05",""
"7241441","22.855","0.006","18.306","0.005","18.508","0.005","90","","107.093","0.005","90","","7401","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H17 Au F15 P -","- C42 H17 Au F15 P -","- C336 H136 Au8 F120 P8 -","8","1","","Sava, Alexandru; Kegyes, Krisztina T.; Popuş, Bianca T.; Dan, Bernadette C.; Silvestru, Cristian; Raţ, Ciprian I.","Halogen bonding between entirely negative fluorine atoms? Evidence from the crystal packing of some gold(i) and gold(iii) complexes with extensively fluorinated m-terphenyl ligands and triphenylphosphane","CrystEngComm","2020","","","","","10.1039/D0CE00671H","","","0.71073","MoKα","","0.0905","0.0593","","","0.1069","0.1164","","","","","","1.094","","","","has coordinates","259281","2020-11-29","02:21:05",""
"7241442","8.3201","0.0001","11.5563","0.0002","18.7213","0.0003","95.4904","0.0013","96.5217","0.0013","91.8701","0.0014","1778.47","0.05","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C31.5 H49 N5 O8 S -","- C31.5 H49 N5 O8 S -","- C63 H98 N10 O16 S2 -","2","1","","Hikawa, Hidemasa; Takahashi, Ayaka; Kikkawa, Shoko; Suzuki, Ayaka; Takahashi, Yoshiki; Sato, Naruka; Okayasu, Misaki; Azumaya, Isao","Homochiral and heterochiral associations observed in crystals of ArSO2-(Aib)5-OMe","CrystEngComm","2020","","","","","10.1039/D0CE01267J","","","1.54187","CuKα","","0.0502","0.0483","","","0.1276","0.1308","","","","","","1.068","","","","has coordinates","259282","2020-11-29","02:22:37",""
"7241443","13.2585","0.0007","12.4082","0.0006","22.8754","0.001","90","","94.548","0.004","90","","3751.5","0.3","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30.56 H49.63 Cl1.44 N5 O8.52 S -","- C30.557 H49.633 Cl1.443 N5 O8.519 S -","- C122.228 H198.532 Cl5.772 N20 O34.076 S4 -","4","1","","Hikawa, Hidemasa; Takahashi, Ayaka; Kikkawa, Shoko; Suzuki, Ayaka; Takahashi, Yoshiki; Sato, Naruka; Okayasu, Misaki; Azumaya, Isao","Homochiral and heterochiral associations observed in crystals of ArSO2-(Aib)5-OMe","CrystEngComm","2020","","","","","10.1039/D0CE01267J","","","1.54187","CuKα","","0.1186","0.0661","","","0.1722","0.2188","","","","","","1.074","","","","has coordinates,has disorder","259282","2020-11-29","02:22:37",""
"7241444","8.2771","0.0001","11.408","0.0003","19.4068","0.0004","89.945","0.002","79.642","0.001","88.733","0.002","1802.18","0.06","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C31.5 H49 N5 O9 S -","- C31.5 H49 N5 O9 S -","- C63 H98 N10 O18 S2 -","2","1","","Hikawa, Hidemasa; Takahashi, Ayaka; Kikkawa, Shoko; Suzuki, Ayaka; Takahashi, Yoshiki; Sato, Naruka; Okayasu, Misaki; Azumaya, Isao","Homochiral and heterochiral associations observed in crystals of ArSO2-(Aib)5-OMe","CrystEngComm","2020","","","","","10.1039/D0CE01267J","","","1.54184","CuKα","","0.0505","0.0446","","","0.1282","0.135","","","","","","1.108","","","","has coordinates,has disorder","259282","2020-11-29","02:22:37",""
"7241445","13.8934","0.0004","15.6619","0.0003","16.0905","0.0004","90","","108.069","0.003","90","","3328.58","0.15","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H42 Br N5 O8 S -","- C27 H42 Br N5 O8 S -","- C108 H168 Br4 N20 O32 S4 -","4","1","","Hikawa, Hidemasa; Takahashi, Ayaka; Kikkawa, Shoko; Suzuki, Ayaka; Takahashi, Yoshiki; Sato, Naruka; Okayasu, Misaki; Azumaya, Isao","Homochiral and heterochiral associations observed in crystals of ArSO2-(Aib)5-OMe","CrystEngComm","2020","","","","","10.1039/D0CE01267J","","","0.71075","MoKα","","0.068","0.0524","","","0.1143","0.1213","","","","","","1.053","","","","has coordinates","259282","2020-11-29","02:22:37",""
"7241446","18.01208","0.00008","16.32819","0.00008","22.3516","0.0001","90","","90","","90","","6573.71","0.05","93","","93","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H45 N5 O8 S -","- C28 H45 N5 O8 S -","- C224 H360 N40 O64 S8 -","8","1","","Hikawa, Hidemasa; Takahashi, Ayaka; Kikkawa, Shoko; Suzuki, Ayaka; Takahashi, Yoshiki; Sato, Naruka; Okayasu, Misaki; Azumaya, Isao","Homochiral and heterochiral associations observed in crystals of ArSO2-(Aib)5-OMe","CrystEngComm","2020","","","","","10.1039/D0CE01267J","","","1.54187","CuKα","","0.0435","0.0409","","","0.1179","0.12","","","","","","1.024","","","","has coordinates","259282","2020-11-29","02:22:40",""
"7241447","10.1575","0.001","30.064","0.003","13.2675","0.0009","90","","130.775","0.005","90","","3068.2","0.5","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H31 Cd N5 O5 -","- C33 H31 Cd N5 O5 -","- C132 H124 Cd4 N20 O20 -","4","1","","Wu, Lin-Hui; Yao, Shu-Li; Li, Jing; Xu, Hui; Zheng, Teng-Fei; Liu, Sui-Jun; Chen, Jing-Lin; Wen, He-Rui","A novel CdII-based metal‒organic framework as a multi-responsive luminescent sensor for Fe3+, MnO4−, Cr2O72−, salicylaldehyde and ethylenediamine detection with high selectivity and sensitivity","CrystEngComm","2021","23","2","482","491","10.1039/D0CE01575J","","","0.71073","MoKα","","0.0636","0.0533","","","0.1207","0.1268","","","","","","1.129","","","","has coordinates","261618","2021-02-04","23:01:50",""
"7241448","14.6265","0.0007","12.7279","0.0006","7.7874","0.0005","90","","97.902","0.005","90","","1435.97","0.13","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C19 H13 N5 -","- C19 H13 N5 -","- C76 H52 N20 -","4","0.5","","Wu, Lin-Hui; Yao, Shu-Li; Li, Jing; Xu, Hui; Zheng, Teng-Fei; Liu, Sui-Jun; Chen, Jing-Lin; Wen, He-Rui","A novel CdII-based metal‒organic framework as a multi-responsive luminescent sensor for Fe3+, MnO4−, Cr2O72−, salicylaldehyde and ethylenediamine detection with high selectivity and sensitivity","CrystEngComm","2021","23","2","482","491","10.1039/D0CE01575J","","","0.71073","MoKα","","0.0505","0.0414","","","0.1138","0.141","","","","","","1.147","","","","has coordinates","261618","2021-02-04","23:01:50",""
"7241449","13.2389","0.0006","14.3168","0.0007","19.9089","0.001","71.557","0.004","74.917","0.004","75.843","0.003","3401.7","0.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C64.5 H59 Ce3 N4.5 O24.5 -","- C64.5 H59 Ce3 N4.5 O24.4999 -","- C129 H118 Ce6 N9 O48.9998 -","2","1","","Wasson, Megan C.; Otake, Ken-ichi; Gong, Xinyi; Strathman, Annabella R.; Islamoglu, Timur; Gianneschi, Nathan C.; Farha, Omar K.","Modulation of crystal growth and structure within cerium-based metal‒organic frameworks","CrystEngComm","2020","","","","","10.1039/D0CE01223H","","","1.54178","CuKα","","0.0729","0.0527","","","0.1235","0.1338","","","","","","1.017","","","","has coordinates,has disorder","259284","2020-11-29","02:24:22",""
"7241450","24.3727","0.0011","5.3458","0.0002","36.3946","0.0017","90","","106.501","0.005","90","","4546.6","0.4","159.99","0.1","159.99","0.1","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C25 H28 O8 -","- C25 H28 O8 -","- C200 H224 O64 -","8","1","","Wan, Xuxing; Wu, Songgu; Wang, Yan; Gong, Junbo","The formation mechanism of hollow spherulites and molecular conformation of curcumin and solvate","CrystEngComm","2020","","","","","10.1039/D0CE01230K","","x-ray","1.54184","CuKα","","0.0889","0.0554","","","0.1366","0.1571","","","","","","1.035","","","","has coordinates","259285","2020-11-29","02:25:00",""
"7241451","21.7077","0.0006","5.1464","0.0001","22.8388","0.0004","90","","94.345","0.002","90","","2544.14","0.1","160","0.1","160","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H32 O9 -","- C27 H32 O9 -","- C108 H128 O36 -","4","1","","Wan, Xuxing; Wu, Songgu; Wang, Yan; Gong, Junbo","The formation mechanism of hollow spherulites and molecular conformation of curcumin and solvate","CrystEngComm","2020","","","","","10.1039/D0CE01230K","","x-ray","1.54184","CuKα","","0.07","0.0509","","","0.1345","0.1496","","","","","","1.032","","","","has coordinates","259285","2020-11-29","02:25:01",""
"7241452","6.9033","0.0007","21.7637","0.0019","7.8394","0.0006","90","","116.004","0.003","90","","1058.57","0.17","260","2","260","","","","","","","","","5","P 1 21 1","P 2yb","4","","DOST","","- C23 H25 N O5 S -","- C23 H25 N O5 S -","- C46 H50 N2 O10 S2 -","2","1","","Yu, Zhe; Wang, Tianhua; Wang, Guanjun; Xu, Kai; Cui, Qingtang; Cao, Lifeng; Teng, Bing","Synthesis, growth, structure analysis and performance characterization of DOST crystal: a nonlinear functional material with a wide range of applications","CrystEngComm","2020","","","","","10.1039/D0CE01243B","","","0.71073","MoKα","","0.0798","0.0499","","","0.0933","0.1078","","","","","","1.054","","","","has coordinates","259286","2020-11-29","02:25:26",""
"7241453","16.9329","0.0001","16.7397","0.0001","24.8806","0.0002","90","","90","","90","","7052.45","0.08","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C3.61 H1.55 O2.06 S0.26 Zn0.39 -","- C3.6129 H1.41935 O2.06452 S0.258065 Zn0.387097 -","- C112 H44 O64 S8 Zn12 -","31","3.875","","Tu, Qian-Qian; Ren, Ling-Ling; Cheng, Ai-Ling; Gao, En-Qing","Fabrication of a dual-emitting RhB@Zn-1 composite as a recyclable luminescent sensor for sensitive detection of nitrofuran antibiotics","CrystEngComm","2021","23","3","629","637","10.1039/D0CE01483D","","","1.54184","CuKα","","0.0372","0.0347","","","0.0958","0.0974","","","","","","1.067","","","","has coordinates","261631","2021-02-04","23:04:54",""
"7241454","9.779","0.0004","10.111","0.0004","18.6534","0.0008","90","","101.536","0.002","90","","1807.11","0.13","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H38 Cu3 N14 O12 -","- C24 H38 Cu3 N14 O12 -","- C48 H76 Cu6 N28 O24 -","2","0.5","","Dolai, Malay; Saha, Urmila; Biswas, Surajit; Chatterjee, Sabyasachi; Suresh Kumar, Gopinatha","DNA intercalative trinuclear Cu(ii) complex with new trans axial nitrato ligation as an efficient catalyst for atmospheric CO2 fixation to epoxides","CrystEngComm","2020","","","","","10.1039/D0CE01152E","","","0.71073","MoKα","","0.068","0.0416","","","0.1048","0.1158","","","","","","1.005","","","","has coordinates","259288","2020-11-29","02:26:14",""
"7241455","10.9842","0.0003","7.9342","0.0002","25.1271","0.0007","90","","91.717","0.002","90","","2188.86","0.1","293","2","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H18 Cl3 N3 -","- C6 H18 Cl3 N3 -","- C48 H144 Cl24 N24 -","8","2","","Liu, Yu-Hua; Liu, Jun-Chao; Peng, Hang; Huang, Xue-Qin; Liao, Wei-Qiang; Wang, Zhong-Xia","A high-Tc organic-ionic phase transition crystal obtained from a trivalent cation","CrystEngComm","2021","23","2","264","267","10.1039/D0CE01654C","","","0.71073","MoKα","","0.0662","0.0542","","","0.1442","0.1507","","","","","","1.09","","","","has coordinates","261624","2021-02-04","23:03:02",""
"7241456","8.016","0.0005","8.016","0.0005","15.1863","0.0012","90","","90","","120","","845.08","0.1","403","2","403","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- C6 H18 Cl3 N3 -","- C6 H18 Cl3 N3 -","- C18 H54 Cl9 N9 -","3","0.0833333","","Liu, Yu-Hua; Liu, Jun-Chao; Peng, Hang; Huang, Xue-Qin; Liao, Wei-Qiang; Wang, Zhong-Xia","A high-Tc organic-ionic phase transition crystal obtained from a trivalent cation","CrystEngComm","2021","23","2","264","267","10.1039/D0CE01654C","","","0.71073","MoKα","","0.1049","0.0887","","","0.229","0.2461","","","","","","1.01","","","","has coordinates","261624","2021-02-04","23:03:02",""
"7241457","9.4609","0.0008","10.3877","0.0009","11.0504","0.0008","115.254","0.003","107.794","0.003","90.967","0.003","921.44","0.13","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H17 O14 Tb -","- C16 H6 O14 Tb -","- C32 H12 O28 Tb2 -","2","1","","Wang, Jinzeng; Suffren, Yan; Daiguebonne, Carole; Bernot, Kevin; Calvez, Guillaume; Freslon, Stéphane; Guillou, Olivier","Lanthanide-based molecular alloys with hydroxyterephthalate: a versatile system","CrystEngComm","2021","23","1","100","118","10.1039/D0CE00947D","","x-ray","0.71073","MoKα","","0.0237","0.0221","","","0.0558","0.0562","","","","","","1.129","","","","has coordinates","261588","2021-02-04","22:55:25",""
"7241458","7.9806","0.0008","9.954","0.0009","10.8426","0.0011","74.62","0.003","74.092","0.003","73.803","0.003","778.67","0.13","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H32 O25 Sm2 -","- C24 H8 O25 Sm2 -","- C24 H8 O25 Sm2 -","1","0.5","","Wang, Jinzeng; Suffren, Yan; Daiguebonne, Carole; Bernot, Kevin; Calvez, Guillaume; Freslon, Stéphane; Guillou, Olivier","Lanthanide-based molecular alloys with hydroxyterephthalate: a versatile system","CrystEngComm","2021","23","1","100","118","10.1039/D0CE00947D","","x-ray","0.71073","MoKα","","0.0242","0.0232","","","0.0605","0.0608","","","","","","1.136","","","","has coordinates","261588","2021-02-04","22:55:25",""
"7241459","16.982","0.002","10.8156","0.0015","20.008","0.002","90","","105.231","0.004","90","","3545.8","0.7","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H80 Gd4 O58 -","- C48 H12 Gd4 O58.372 -","- C96 H24 Gd8 O116.744 -","2","0.25","","Wang, Jinzeng; Suffren, Yan; Daiguebonne, Carole; Bernot, Kevin; Calvez, Guillaume; Freslon, Stéphane; Guillou, Olivier","Lanthanide-based molecular alloys with hydroxyterephthalate: a versatile system","CrystEngComm","2021","23","1","100","118","10.1039/D0CE00947D","","x-ray","0.71073","MoKα","","0.0351","0.0318","","","0.0813","0.083","","","","","","1.142","","","","has coordinates","261588","2021-02-04","22:55:25",""
"7241460","9.3864","0.0007","10.0102","0.0007","10.3408","0.0008","107.622","0.003","99.379","0.003","110.08","0.003","830.17","0.11","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H28 O23 Y2 -","- C24 H6 O23 Y2 -","- C24 H6 O23 Y2 -","1","0.5","","Wang, Jinzeng; Suffren, Yan; Daiguebonne, Carole; Bernot, Kevin; Calvez, Guillaume; Freslon, Stéphane; Guillou, Olivier","Lanthanide-based molecular alloys with hydroxyterephthalate: a versatile system","CrystEngComm","2021","23","1","100","118","10.1039/D0CE00947D","","x-ray","0.71073","MoKα","","0.0366","0.0323","","","0.0928","0.0946","","","","","","1.081","","","","has coordinates","261588","2021-02-04","22:55:25",""
"7241461","10.9491","0.0014","12.8463","0.0016","11.5619","0.0014","90","","102.493","0.004","90","","1587.7","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H32 Gd2 O25 -","- C24 H8 Gd2 O25 -","- C48 H16 Gd4 O50 -","2","0.5","","Wang, Jinzeng; Suffren, Yan; Daiguebonne, Carole; Bernot, Kevin; Calvez, Guillaume; Freslon, Stéphane; Guillou, Olivier","Lanthanide-based molecular alloys with hydroxyterephthalate: a versatile system","CrystEngComm","2021","23","1","100","118","10.1039/D0CE00947D","","x-ray","0.71073","MoKα","","0.0254","0.0244","","","0.0622","0.0628","","","","","","1.082","","","","has coordinates","261588","2021-02-04","22:55:25",""
"7241462","26.912","0.002","26.912","","26.912","","90","","90","","90","","19491.2","1.4","296","2","296","2","","","","","","","","4","I a -3","-I 2b 2c 3","206","","","","- C16 H19 O15 Pr -","- C16 H6 O15 Pr -","- C384 H144 O360 Pr24 -","24","0.5","","Wang, Jinzeng; Suffren, Yan; Daiguebonne, Carole; Bernot, Kevin; Calvez, Guillaume; Freslon, Stéphane; Guillou, Olivier","Lanthanide-based molecular alloys with hydroxyterephthalate: a versatile system","CrystEngComm","2021","23","1","100","118","10.1039/D0CE00947D","","x-ray","0.71073","MoKα","","0.1372","0.1222","","","0.3309","0.4051","","","","","","1.955","","","","has coordinates","261588","2021-02-04","22:55:25",""
"7241463","4.848","0.0002","5.7558","0.0002","27.297","0.0012","89.436","0.003","89.331","0.002","84.313","0.002","757.87","0.05","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H14 Au0.5 I N2 S12 -","- C26 H14 Au0.5 I N2 S12 -","- C26 H14 Au0.5 I N2 S12 -","1","0.5","","Santos, Isabel C.; Gama, Vasco; Rabaça, Sandra; Veiros, Luís F.; Nogueira, Fernando; Paixão, José A.; Almeida, Manuel","Structural diversity in conducting bilayer salts (CNB-EDT-TTF)4A","CrystEngComm","2020","","","","","10.1039/D0CE01433H","","","0.71073","MoKα","","0.0648","0.0531","","","0.1194","0.1224","","","","","","1.158","","","","has coordinates","259291","2020-11-29","02:29:28",""
"7241464","4.8398","0.0005","5.8172","0.0006","28.1649","0.0017","90.457","0.006","91.51","0.006","95.03","0.007","789.59","0.13","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H14 As0.5 F3 N2 S12 -","- C26 H14 As0.5 F3 N2 S12 -","- C26 H14 As0.5 F3 N2 S12 -","1","0.5","","Santos, Isabel C.; Gama, Vasco; Rabaça, Sandra; Veiros, Luís F.; Nogueira, Fernando; Paixão, José A.; Almeida, Manuel","Structural diversity in conducting bilayer salts (CNB-EDT-TTF)4A","CrystEngComm","2020","","","","","10.1039/D0CE01433H","","","0.71073","MoKα","","0.1878","0.0934","","","0.2207","0.2497","","","","","","1.044","","","","has coordinates","259291","2020-11-29","02:29:29",""
"7241465","10.12941","0.00005","16.43674","0.00009","13.38681","0.00007","90","","96.9574","0.0005","90","","2212.42","0.02","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 Cl3 N S2 Sn -","- C19 H22 Cl3 N S2 Sn -","- C76 H88 Cl12 N4 S8 Sn4 -","4","1","","Tan, Sang Loon; Lee, See Mun; Lo, Kong Mun; Otero-de-la-Roza, A.; Tiekink, Edward R. T.","Experimental and computational evidence for a stabilising C‒Cl(lone-pair)⋯π(chelate-ring) interaction","CrystEngComm","2021","23","1","119","130","10.1039/D0CE01478H","","","1.54184","CuKα","","0.0222","0.0217","","","0.0564","0.0566","","","","","","1.062","","","","has coordinates","261586","2021-02-04","22:54:38",""
"7241466","10.23633","0.00014","16.7834","0.0003","13.50677","0.00018","90","","97.0002","0.0013","90","","2303.17","0.06","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 Cl3 N S2 Sn -","- C19 H22 Cl3 N S2 Sn -","- C76 H88 Cl12 N4 S8 Sn4 -","4","1","","Tan, Sang Loon; Lee, See Mun; Lo, Kong Mun; Otero-de-la-Roza, A.; Tiekink, Edward R. T.","Experimental and computational evidence for a stabilising C‒Cl(lone-pair)⋯π(chelate-ring) interaction","CrystEngComm","2021","23","1","119","130","10.1039/D0CE01478H","","","1.54184","CuKα","","0.0381","0.0315","","","0.0811","0.0862","","","","","","1.027","","","","has coordinates","261586","2021-02-04","22:54:41",""
"7241467","10.1802","0.00009","16.57028","0.00017","13.45064","0.00012","90","","97.078","0.0008","90","","2251.68","0.04","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 Cl3 N S2 Sn -","- C19 H22 Cl3 N S2 Sn -","- C76 H88 Cl12 N4 S8 Sn4 -","4","1","","Tan, Sang Loon; Lee, See Mun; Lo, Kong Mun; Otero-de-la-Roza, A.; Tiekink, Edward R. T.","Experimental and computational evidence for a stabilising C‒Cl(lone-pair)⋯π(chelate-ring) interaction","CrystEngComm","2021","23","1","119","130","10.1039/D0CE01478H","","","1.54184","CuKα","","0.0267","0.0249","","","0.064","0.0656","","","","","","1.026","","","","has coordinates","261586","2021-02-04","22:54:41",""
"7241468","10.15307","0.00007","16.4993","0.00013","13.41809","0.0001","90","","97.0345","0.0007","90","","2230.86","0.03","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 Cl3 N S2 Sn -","- C19 H22 Cl3 N S2 Sn -","- C76 H88 Cl12 N4 S8 Sn4 -","4","1","","Tan, Sang Loon; Lee, See Mun; Lo, Kong Mun; Otero-de-la-Roza, A.; Tiekink, Edward R. T.","Experimental and computational evidence for a stabilising C‒Cl(lone-pair)⋯π(chelate-ring) interaction","CrystEngComm","2021","23","1","119","130","10.1039/D0CE01478H","","","1.54184","CuKα","","0.0233","0.0226","","","0.058","0.0584","","","","","","1.039","","","","has coordinates","261586","2021-02-04","22:54:41",""
"7241469","10.20882","0.00012","16.6674","0.0002","13.48201","0.00016","90","","97.0862","0.0011","90","","2276.5","0.05","250","2","250","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 Cl3 N S2 Sn -","- C19 H22 Cl3 N S2 Sn -","- C76 H88 Cl12 N4 S8 Sn4 -","4","1","","Tan, Sang Loon; Lee, See Mun; Lo, Kong Mun; Otero-de-la-Roza, A.; Tiekink, Edward R. T.","Experimental and computational evidence for a stabilising C‒Cl(lone-pair)⋯π(chelate-ring) interaction","CrystEngComm","2021","23","1","119","130","10.1039/D0CE01478H","","","1.54184","CuKα","","0.0303","0.0273","","","0.07","0.0722","","","","","","1.005","","","","has coordinates","261586","2021-02-04","22:54:41",""
"7241470","10.22154","0.00011","16.7214","0.0002","13.49259","0.00015","90","","97.0519","0.0011","90","","2288.69","0.05","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 Cl3 N S2 Sn -","- C19 H22 Cl3 N S2 Sn -","- C76 H88 Cl12 N4 S8 Sn4 -","4","1","","Tan, Sang Loon; Lee, See Mun; Lo, Kong Mun; Otero-de-la-Roza, A.; Tiekink, Edward R. T.","Experimental and computational evidence for a stabilising C‒Cl(lone-pair)⋯π(chelate-ring) interaction","CrystEngComm","2021","23","1","119","130","10.1039/D0CE01478H","","","1.54184","CuKα","","0.0322","0.0279","","","0.072","0.0754","","","","","","1.017","","","","has coordinates","261586","2021-02-04","22:54:41",""
"7241471","5.3989","0.0003","10.1581","0.0005","23.3868","0.0012","90","","90.508","0.002","90","","1282.54","0.12","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 N2 O3 -","- C13 H18 N2 O3 -","- C52 H72 N8 O12 -","4","1","","Lago, Ana Belén; Pino-Cuevas, Arantxa; Carballo, Rosa; Vázquez-López, Ezequiel M.","Effect of N-salicylidene hydrazide protonation on the solid state structural diversity of its Cu(ii), Ni(ii) and Zn(ii) complexes","CrystEngComm","2021","23","1","153","162","10.1039/D0CE01204A","","","1.54178","CuKα","","0.07","0.0667","","","0.2082","0.2145","","","","","","1.069","","","","has coordinates","261592","2021-02-04","22:56:38",""
"7241472","13.6157","0.0014","14.5331","0.0016","18.1322","0.0019","109.291","0.003","110.987","0.003","95.422","0.003","3068.3","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H41 N5 O10 Zn -","- C28 H41 N5 O10 Zn -","- C112 H164 N20 O40 Zn4 -","4","2","","Lago, Ana Belén; Pino-Cuevas, Arantxa; Carballo, Rosa; Vázquez-López, Ezequiel M.","Effect of N-salicylidene hydrazide protonation on the solid state structural diversity of its Cu(ii), Ni(ii) and Zn(ii) complexes","CrystEngComm","2021","23","1","153","162","10.1039/D0CE01204A","","","0.71073","MoKα","","0.1064","0.0901","","","0.2286","0.2389","","","","","","1.108","","","","has coordinates","261592","2021-02-04","22:56:38",""
"7241473","15.2574","0.0003","7.1581","0.0001","13.6618","0.0003","90","","102.27","0.0006","90","","1457.98","0.05","296","2","296","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C26 H32 Cu2 F6 N4 O6 Si -","- C26 H32 Cu2 F6 N4 O6 Si -","- C52 H64 Cu4 F12 N8 O12 Si2 -","2","0.25","","Lago, Ana Belén; Pino-Cuevas, Arantxa; Carballo, Rosa; Vázquez-López, Ezequiel M.","Effect of N-salicylidene hydrazide protonation on the solid state structural diversity of its Cu(ii), Ni(ii) and Zn(ii) complexes","CrystEngComm","2021","23","1","153","162","10.1039/D0CE01204A","","","1.54178","CuKα","","0.0357","0.0332","","","0.0931","0.0961","","","","","","1.079","","","","has coordinates","261592","2021-02-04","22:56:38",""
"7241474","9.4517","0.0014","10.1415","0.0014","10.5338","0.0015","107.386","0.007","91.631","0.008","92.042","0.008","962.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H25 N3 Ni O8 -","- C15 H25 N3 Ni O8 -","- C30 H50 N6 Ni2 O16 -","2","1","","Lago, Ana Belén; Pino-Cuevas, Arantxa; Carballo, Rosa; Vázquez-López, Ezequiel M.","Effect of N-salicylidene hydrazide protonation on the solid state structural diversity of its Cu(ii), Ni(ii) and Zn(ii) complexes","CrystEngComm","2021","23","1","153","162","10.1039/D0CE01204A","","","1.54178","CuKα","","0.1196","0.0887","","","0.2411","0.2785","","","","","","1.02","","","","has coordinates","261592","2021-02-04","22:56:38",""
"7241475","11.8828","0.0004","7.2916","0.0002","17.5807","0.0006","90","","92.6591","0.0006","90","","1521.63","0.08","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H34 Cu2 N6 O12 -","- C26 H34 Cu2 N6 O12 -","- C52 H68 Cu4 N12 O24 -","2","0.5","","Lago, Ana Belén; Pino-Cuevas, Arantxa; Carballo, Rosa; Vázquez-López, Ezequiel M.","Effect of N-salicylidene hydrazide protonation on the solid state structural diversity of its Cu(ii), Ni(ii) and Zn(ii) complexes","CrystEngComm","2021","23","1","153","162","10.1039/D0CE01204A","","","1.54178","CuKα","","0.0301","0.0297","","","0.0867","0.0874","","","","","","1.057","","","","has coordinates","261592","2021-02-04","22:56:38",""
"7241476","22.063","0.009","5.803","0.002","24.656","0.01","90","","105.727","0.007","90","","3039","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H30 N4 Ni O9 -","- C32 H29 N4 Ni O9 -","- C128 H116 N16 Ni4 O36 -","4","0.5","","Lago, Ana Belén; Pino-Cuevas, Arantxa; Carballo, Rosa; Vázquez-López, Ezequiel M.","Effect of N-salicylidene hydrazide protonation on the solid state structural diversity of its Cu(ii), Ni(ii) and Zn(ii) complexes","CrystEngComm","2021","23","1","153","162","10.1039/D0CE01204A","","","0.71073","MoKα","","0.1571","0.0705","","","0.1721","0.2291","","","","","","0.994","","","","has coordinates","261592","2021-02-04","22:56:38",""
"7241477","8.0113","0.0003","9.6951","0.0003","13.9342","0.0004","90","","106.624","0.0013","90","","1037.04","0.06","138","2","138","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H13 N O S -","- C10 H13 N O S -","- C40 H52 N4 O4 S4 -","4","1","","Tan, Davin; Ng, Zi Xuan; Ganguly, Rakesh; Li, Yongxin; Soo, Han Sen; Mohamed, Sharmarke; García, Felipe","Investigating the solid-state assembly of pharmaceutically-relevant N,N-dimethyl-O-thiocarbamates in the absence of labile hydrogen bonds","CrystEngComm","2020","","","","","10.1039/D0CE01336F","","","0.71073","MoKα","","0.0645","0.0453","","","0.0975","0.1085","","","","","","1.054","","","","has coordinates","259294","2020-11-29","02:34:17",""
"7241478","6.358","0.002","7.684","0.003","11.573","0.004","91.215","0.013","104.219","0.011","94.232","0.012","546.1","0.3","301","2","301","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H6 F5 N O S -","- C9 H6 F5 N O S -","- C18 H12 F10 N2 O2 S2 -","2","1","","Tan, Davin; Ng, Zi Xuan; Ganguly, Rakesh; Li, Yongxin; Soo, Han Sen; Mohamed, Sharmarke; García, Felipe","Investigating the solid-state assembly of pharmaceutically-relevant N,N-dimethyl-O-thiocarbamates in the absence of labile hydrogen bonds","CrystEngComm","2020","","","","","10.1039/D0CE01336F","","","0.71073","MoKα","","0.093","0.0594","","","0.1431","0.1678","","","","","","1.044","","","","has coordinates","259294","2020-11-29","02:34:18",""
"7241479","7.0984","0.0002","21.9932","0.0006","6.5396","0.0002","90","","90","","90","","1020.94","0.05","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C9 H10 N2 O3 S -","- C9 H10 N2 O3 S -","- C36 H40 N8 O12 S4 -","4","1","","Tan, Davin; Ng, Zi Xuan; Ganguly, Rakesh; Li, Yongxin; Soo, Han Sen; Mohamed, Sharmarke; García, Felipe","Investigating the solid-state assembly of pharmaceutically-relevant N,N-dimethyl-O-thiocarbamates in the absence of labile hydrogen bonds","CrystEngComm","2020","","","","","10.1039/D0CE01336F","","","0.71073","MoKα","","0.0377","0.0321","","","0.0752","0.0791","","","","","","1.05","","","","has coordinates","259294","2020-11-29","02:34:18",""
"7241480","37.1149","0.0009","5.5443","0.0001","12.8872","0.0003","90","","95.9708","0.001","90","","2637.49","0.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H17 N O4 S -","- C12 H17 N O4 S -","- C96 H136 N8 O32 S8 -","8","1","","Tan, Davin; Ng, Zi Xuan; Ganguly, Rakesh; Li, Yongxin; Soo, Han Sen; Mohamed, Sharmarke; García, Felipe","Investigating the solid-state assembly of pharmaceutically-relevant N,N-dimethyl-O-thiocarbamates in the absence of labile hydrogen bonds","CrystEngComm","2020","","","","","10.1039/D0CE01336F","","","0.71073","MoKα","","0.0409","0.0346","","","0.0904","0.095","","","","","","1.043","","","","has coordinates","259294","2020-11-29","02:34:19",""
"7241481","8.7175","0.0004","9.9546","0.0004","12.4668","0.0005","90","","99.0234","0.0016","90","","1068.47","0.08","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H13 N O2 S -","- C10 H13 N O2 S -","- C40 H52 N4 O8 S4 -","4","1","","Tan, Davin; Ng, Zi Xuan; Ganguly, Rakesh; Li, Yongxin; Soo, Han Sen; Mohamed, Sharmarke; García, Felipe","Investigating the solid-state assembly of pharmaceutically-relevant N,N-dimethyl-O-thiocarbamates in the absence of labile hydrogen bonds","CrystEngComm","2020","","","","","10.1039/D0CE01336F","","","0.71073","MoKα","","0.061","0.042","","","0.0977","0.1094","","","","","","1.032","","","","has coordinates","259294","2020-11-29","02:34:19",""
"7241482","8.1419","0.0002","9.5362","0.0003","13.6861","0.0004","90","","105.417","0.001","90","","1024.39","0.05","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 Cl N O S -","- C9 H10 Cl N O S -","- C36 H40 Cl4 N4 O4 S4 -","4","1","","Tan, Davin; Ng, Zi Xuan; Ganguly, Rakesh; Li, Yongxin; Soo, Han Sen; Mohamed, Sharmarke; García, Felipe","Investigating the solid-state assembly of pharmaceutically-relevant N,N-dimethyl-O-thiocarbamates in the absence of labile hydrogen bonds","CrystEngComm","2020","","","","","10.1039/D0CE01336F","","","0.71073","MoKα","","0.0569","0.0382","","","0.0782","0.0878","","","","","","1.029","","","","has coordinates","259294","2020-11-29","02:34:19",""
"7241483","10.683","0.005","15.115","0.007","8.801","0.004","90","","90","","90","","1421.1","1.1","298","2","298","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C11 H9 F6 N O S -","- C11 H9 F6 N O S -","- C44 H36 F24 N4 O4 S4 -","4","1","","Tan, Davin; Ng, Zi Xuan; Ganguly, Rakesh; Li, Yongxin; Soo, Han Sen; Mohamed, Sharmarke; García, Felipe","Investigating the solid-state assembly of pharmaceutically-relevant N,N-dimethyl-O-thiocarbamates in the absence of labile hydrogen bonds","CrystEngComm","2020","","","","","10.1039/D0CE01336F","","","0.71073","MoKα","","0.0785","0.0376","","","0.079","0.0987","","","","","","1.047","","","","has coordinates,has disorder","259294","2020-11-29","02:34:19",""
"7241484","7.32","0.0003","11.5744","0.0005","13.5992","0.0005","80.8887","0.0015","80.9328","0.0014","80.5041","0.0017","1111.79","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H15 N O S -","- C11 H15 N O S -","- C44 H60 N4 O4 S4 -","4","2","","Tan, Davin; Ng, Zi Xuan; Ganguly, Rakesh; Li, Yongxin; Soo, Han Sen; Mohamed, Sharmarke; García, Felipe","Investigating the solid-state assembly of pharmaceutically-relevant N,N-dimethyl-O-thiocarbamates in the absence of labile hydrogen bonds","CrystEngComm","2020","","","","","10.1039/D0CE01336F","","","0.71073","MoKα","","0.0866","0.0513","","","0.1032","0.1189","","","","","","1.03","","","","has coordinates","259294","2020-11-29","02:34:19",""
"7241485","8.4215","0.0003","14.1614","0.0007","8.8819","0.0004","90","","108.134","0.002","90","","1006.65","0.08","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 N2 O S -","- C10 H10 N2 O S -","- C40 H40 N8 O4 S4 -","4","1","","Tan, Davin; Ng, Zi Xuan; Ganguly, Rakesh; Li, Yongxin; Soo, Han Sen; Mohamed, Sharmarke; García, Felipe","Investigating the solid-state assembly of pharmaceutically-relevant N,N-dimethyl-O-thiocarbamates in the absence of labile hydrogen bonds","CrystEngComm","2020","","","","","10.1039/D0CE01336F","","","0.71073","MoKα","","0.0784","0.0549","","","0.1328","0.1504","","","","","","1.04","","","","has coordinates","259294","2020-11-29","02:34:20",""
"7241486","34.119","0.0014","5.5552","0.0003","32.3777","0.0013","90","","90","","90","","6136.8","0.5","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C19 H15 N O S -","- C19 H15 N O S -","- C304 H240 N16 O16 S16 -","16","4","","Tan, Davin; Ng, Zi Xuan; Ganguly, Rakesh; Li, Yongxin; Soo, Han Sen; Mohamed, Sharmarke; García, Felipe","Investigating the solid-state assembly of pharmaceutically-relevant N,N-dimethyl-O-thiocarbamates in the absence of labile hydrogen bonds","CrystEngComm","2020","","","","","10.1039/D0CE01336F","","","0.71073","MoKα","","0.1389","0.0721","","","0.1548","0.185","","","","","","1.031","","","","has coordinates","259294","2020-11-29","02:34:20",""
"7241487","11.9751","0.001","5.8514","0.0005","8.4304","0.0006","90","","103.293","0.003","90","","574.9","0.08","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C13 H13 N O S -","- C13 H13 N O S -","- C26 H26 N2 O2 S2 -","2","1","","Tan, Davin; Ng, Zi Xuan; Ganguly, Rakesh; Li, Yongxin; Soo, Han Sen; Mohamed, Sharmarke; García, Felipe","Investigating the solid-state assembly of pharmaceutically-relevant N,N-dimethyl-O-thiocarbamates in the absence of labile hydrogen bonds","CrystEngComm","2020","","","","","10.1039/D0CE01336F","","","0.71073","MoKα","","0.1215","0.0936","","","0.2256","0.2591","","","","","","1.016","","","","has coordinates","259294","2020-11-29","02:34:20",""
"7241488","7.3327","0.0006","10.8014","0.0009","12.9437","0.0011","88.123","0.003","86.737","0.003","76.071","0.003","993.23","0.14","301","2","301","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H10 F N O S -","- C9 H10 F N O S -","- C36 H40 F4 N4 O4 S4 -","4","2","","Tan, Davin; Ng, Zi Xuan; Ganguly, Rakesh; Li, Yongxin; Soo, Han Sen; Mohamed, Sharmarke; García, Felipe","Investigating the solid-state assembly of pharmaceutically-relevant N,N-dimethyl-O-thiocarbamates in the absence of labile hydrogen bonds","CrystEngComm","2020","","","","","10.1039/D0CE01336F","","","0.71073","MoKα","","0.0733","0.0506","","","0.1251","0.1416","","","","","","1.036","","","","has coordinates","259294","2020-11-29","02:34:20",""
"7241489","17.044","0.002","5.763","0.0007","18.072","0.002","90","","117.231","0.004","90","","1578.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N O S -","- C19 H17 N O S -","- C76 H68 N4 O4 S4 -","4","1","","Tan, Davin; Ng, Zi Xuan; Ganguly, Rakesh; Li, Yongxin; Soo, Han Sen; Mohamed, Sharmarke; García, Felipe","Investigating the solid-state assembly of pharmaceutically-relevant N,N-dimethyl-O-thiocarbamates in the absence of labile hydrogen bonds","CrystEngComm","2020","","","","","10.1039/D0CE01336F","","","0.71073","MoKα","","0.1248","0.0903","","","0.2083","0.2399","","","","","","1.016","","","","has coordinates","259294","2020-11-29","02:34:20",""
"7241490","7.2726","0.0002","7.4019","0.0002","19.9994","0.0004","90","","97.972","0.001","90","","1066.18","0.05","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 Cl2 N O S -","- C9 H9 Cl2 N O S -","- C36 H36 Cl8 N4 O4 S4 -","4","1","","Tan, Davin; Ng, Zi Xuan; Ganguly, Rakesh; Li, Yongxin; Soo, Han Sen; Mohamed, Sharmarke; García, Felipe","Investigating the solid-state assembly of pharmaceutically-relevant N,N-dimethyl-O-thiocarbamates in the absence of labile hydrogen bonds","CrystEngComm","2020","","","","","10.1039/D0CE01336F","","","0.71073","MoKα","","0.0426","0.0321","","","0.074","0.0802","","","","","","1.061","","","","has coordinates","259294","2020-11-29","02:34:20",""
"7241491","5.4383","0.0002","5.4383","0.0002","10.8455","0.0005","90","","90","","90","","320.76","0.02","293","2","293","2","","","","","","","","4","I -4 2 m","I -4 2","121","","","","- Cu1.94 S4 Sn Zn1.06 -","- Cu1.94 S4 Sn Zn1.06 -","- Cu3.88 S8 Sn2 Zn2.12 -","2","0.125","","Kokh, K. A.; Atuchin, V. V.; Adichtchev, S. V.; Gavrilova, T. A.; Bakhadur, A. M.; Klimov, A. O.; Korolkov, I. V.; Kuratieva, N. V.; Mukherjee, S.; Pervukhina, N. V.; Surovtsev, N. V.","Cu2ZnSnS4 crystal growth using an SnCl2 based flux","CrystEngComm","2021","23","4","1025","1032","10.1039/D0CE01264E","","x-ray","0.71073","MoKα","","0.0092","0.0092","","","0.0224","0.0224","","","","","","1.053","","","","has coordinates","261608","2021-02-04","22:59:26",""
"7241492","22.0734","0.0004","4.4546","0.0001","22.931","0.0004","90","","95.154","0.002","90","","2245.65","0.08","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H8 N4 O S3 -","- C8 H8 N4 O S3 -","- C64 H64 N32 O8 S24 -","8","1","","Wzgarda-Raj, Kinga; Palusiak, Marcin; Wojtulewski, Sławomir; Rybarczyk-Pirek, Agnieszka J.","The role of sulfur interactions in crystal architecture: experimental and quantum theoretical studies on hydrogen, halogen, and chalcogen bonds in trithiocyanuric acid‒pyridine N-oxide co-crystals","CrystEngComm","2021","23","2","324","334","10.1039/D0CE01319F","","","1.54184","CuKα","","0.0234","0.0233","","","0.0621","0.0622","","","","","","1.042","","","","has coordinates","261623","2021-02-04","23:02:55",""
"7241493","6.976","0.0002","11.2345","0.0002","26.3305","0.0005","80.082","0.002","85.993","0.002","80.258","0.002","2001.65","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H24 Br2 N14 O4 S12 -","- C22 H24 Br2 N14 O4 S12 -","- C44 H48 Br4 N28 O8 S24 -","2","1","","Wzgarda-Raj, Kinga; Palusiak, Marcin; Wojtulewski, Sławomir; Rybarczyk-Pirek, Agnieszka J.","The role of sulfur interactions in crystal architecture: experimental and quantum theoretical studies on hydrogen, halogen, and chalcogen bonds in trithiocyanuric acid‒pyridine N-oxide co-crystals","CrystEngComm","2021","23","2","324","334","10.1039/D0CE01319F","","","1.54184","CuKα","","0.0286","0.0236","","","0.0533","0.055","","","","","","1.035","","","","has coordinates","261623","2021-02-04","23:02:55",""
"7241494","9.325","0.0003","9.4506","0.0004","11.092","0.0004","108.119","0.003","91.734","0.003","112.132","0.004","848.43","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H11 N5 O2 S5 -","- C13 H11 N5 O2 S5 -","- C26 H22 N10 O4 S10 -","2","1","","Wzgarda-Raj, Kinga; Palusiak, Marcin; Wojtulewski, Sławomir; Rybarczyk-Pirek, Agnieszka J.","The role of sulfur interactions in crystal architecture: experimental and quantum theoretical studies on hydrogen, halogen, and chalcogen bonds in trithiocyanuric acid‒pyridine N-oxide co-crystals","CrystEngComm","2021","23","2","324","334","10.1039/D0CE01319F","","","1.54184","CuKα","","0.0236","0.0218","","","0.0542","0.0553","","","","","","1.048","","","","has coordinates","261623","2021-02-04","23:02:55",""
"7241495","17.0067","0.0003","4.5591","0.0001","24.5193","0.0003","90","","108.58","0.002","90","","1802.02","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 N7 O6 S3 -","- C13 H11 N7 O6 S3 -","- C52 H44 N28 O24 S12 -","4","1","","Wzgarda-Raj, Kinga; Palusiak, Marcin; Wojtulewski, Sławomir; Rybarczyk-Pirek, Agnieszka J.","The role of sulfur interactions in crystal architecture: experimental and quantum theoretical studies on hydrogen, halogen, and chalcogen bonds in trithiocyanuric acid‒pyridine N-oxide co-crystals","CrystEngComm","2021","23","2","324","334","10.1039/D0CE01319F","","","1.54184","CuKα","","0.0281","0.0256","","","0.0661","0.0675","","","","","","1.059","","","","has coordinates","261623","2021-02-04","23:02:55",""
"7241496","7.1053","0.0002","7.9388","0.0003","18.2289","0.0006","90","","96.723","0.001","90","","1021.18","0.06","240","2","240.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H26 F N5 O3 -","- C20 H26 F N5 O3 -","- C40 H52 F2 N10 O6 -","2","1","","Xu, Kailin; Qian, Menglin; Leng, Jiewu; Bai, Jie; Li, Qinglan; Liu, Zihong; Zhong, Shijuan; Zhao, Suqing","Direct salinization of trelagliptin from solid forms by mechanochemistry and its mechanism of salt formation","CrystEngComm","2020","","","","","10.1039/D0CE00984A","","","1.54184","CuKα","","0.0363","0.034","","","0.0879","0.0908","","","","","","1.044","","","","has coordinates","259297","2020-11-29","02:37:20",""
"7241497","6.9625","0.0002","7.9457","0.0002","17.9395","0.0005","90","","94.339","0.001","90","","989.6","0.05","241","2","240.83","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H24 F N5 O3 -","- C19 H24 F N5 O3 -","- C38 H48 F2 N10 O6 -","2","1","","Xu, Kailin; Qian, Menglin; Leng, Jiewu; Bai, Jie; Li, Qinglan; Liu, Zihong; Zhong, Shijuan; Zhao, Suqing","Direct salinization of trelagliptin from solid forms by mechanochemistry and its mechanism of salt formation","CrystEngComm","2020","","","","","10.1039/D0CE00984A","","","1.54178","CuKα","","0.0302","0.0293","","","0.0736","0.0746","","","","","","1.044","","","","has coordinates","259297","2020-11-29","02:37:21",""
"7241498","7.1057","0.0002","7.8894","0.0002","15.5407","0.0004","90","","97.325","0.001","90","","864.1","0.04","240","2","240","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H20 F N5 O2 -","- C18 H20 F N5 O2 -","- C36 H40 F2 N10 O4 -","2","1","","Xu, Kailin; Qian, Menglin; Leng, Jiewu; Bai, Jie; Li, Qinglan; Liu, Zihong; Zhong, Shijuan; Zhao, Suqing","Direct salinization of trelagliptin from solid forms by mechanochemistry and its mechanism of salt formation","CrystEngComm","2020","","","","","10.1039/D0CE00984A","","","1.54178","CuKα","","0.0294","0.0292","","","0.0787","0.079","","","","","","0.915","","","","has coordinates","259297","2020-11-29","02:37:21",""
"7241499","12.279","0.004","13.059","0.005","16.422","0.006","89.384","0.006","86.725","0.005","64.779","0.005","2378.1","1.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C43.5 H34 Cl4 Cu N6 O8.5 -","- C43.5 H34 Cl4 Cu N6 O8.5 -","- C87 H68 Cl8 Cu2 N12 O17 -","2","1","","Wang, Qi-Bao; Jing, Zi-Yan; Hu, Xiang-Ming; Lu, Wen-Xin; Wang, Peng","Synthesis, structure, and heterogeneous Fenton reaction of new Cu(ii)-based discrete Cu2Lx coordination complexes","CrystEngComm","2021","23","1","216","220","10.1039/D0CE01363C","","","0.71073","MoKα","","0.1362","0.0775","","","0.2004","0.2266","","","","","","0.92","","","","has coordinates","261583","2021-02-04","22:52:58",""
"7241500","8.184","0.004","12.719","0.007","12.938","0.007","113.72","0.009","105.632","0.009","90.756","0.009","1176","1.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H19 Cu N5 O7 -","- C22 H19 Cu N5 O7 -","- C44 H38 Cu2 N10 O14 -","2","1","","Wang, Qi-Bao; Jing, Zi-Yan; Hu, Xiang-Ming; Lu, Wen-Xin; Wang, Peng","Synthesis, structure, and heterogeneous Fenton reaction of new Cu(ii)-based discrete Cu2Lx coordination complexes","CrystEngComm","2021","23","1","216","220","10.1039/D0CE01363C","","","0.71073","MoKα","","0.1637","0.0773","","","0.1284","0.1512","","","","","","0.876","","","","has coordinates","261583","2021-02-04","22:52:58",""
"7241501","8.779","0.003","9.042","0.003","23.964","0.007","90","","97.906","0.004","90","","1884.2","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H30 Cu N8 O6 -","- C42 H30 Cu N8 O6 -","- C84 H60 Cu2 N16 O12 -","2","0.5","","Wang, Qi-Bao; Jing, Zi-Yan; Hu, Xiang-Ming; Lu, Wen-Xin; Wang, Peng","Synthesis, structure, and heterogeneous Fenton reaction of new Cu(ii)-based discrete Cu2Lx coordination complexes","CrystEngComm","2021","23","1","216","220","10.1039/D0CE01363C","","","0.71073","MoKα","","0.1","0.0571","","","0.1049","0.1174","","","","","","0.956","","","","has coordinates","261583","2021-02-04","22:52:58",""
"7241502","13.335","0.004","16.4","0.005","8.497","0.003","90","","93.567","0.005","90","","1854.6","1","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","work","","","- C15 H14 Ag F3 N4 O3 S -","- C15 H14 Ag F3 N4 O3 S -","- C60 H56 Ag4 F12 N16 O12 S4 -","4","1","","Arhangelskis, Mihails; Van Meervelt, Luc; Dobrzańska, Liliana","Influence of ligand composition on crystal structure formation ‒ isostructurality and morphotropism","CrystEngComm","2021","23","2","317","323","10.1039/D0CE01302A","","","0.71073","MoKα","","0.0915","0.0745","","","0.1621","0.1709","","","","","","1.072","","","","has coordinates","261622","2021-02-04","23:02:47",""
"7241503","16.748","0.007","9.455","0.004","4.562","0.002","90","","100.666","0.008","90","","709.9","0.5","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","work","","","- C14 H18 N4 O2 -","- C14 H18 N4 O2 -","- C28 H36 N8 O4 -","2","0.5","","Arhangelskis, Mihails; Van Meervelt, Luc; Dobrzańska, Liliana","Influence of ligand composition on crystal structure formation ‒ isostructurality and morphotropism","CrystEngComm","2021","23","2","317","323","10.1039/D0CE01302A","","","0.71073","MoKα","","0.0615","0.049","","","0.1007","0.106","","","","","","1.021","","","","has coordinates,has disorder","261622","2021-02-04","23:02:47",""
"7241504","13.3761","0.0007","16.6393","0.001","8.5931","0.0005","90","","93.452","0.003","90","","1909.09","0.19","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","work","","","- C16 H16 Ag F3 N4 O3 S -","- C16 H16 Ag F3 N4 O3 S -","- C64 H64 Ag4 F12 N16 O12 S4 -","4","1","","Arhangelskis, Mihails; Van Meervelt, Luc; Dobrzańska, Liliana","Influence of ligand composition on crystal structure formation ‒ isostructurality and morphotropism","CrystEngComm","2021","23","2","317","323","10.1039/D0CE01302A","","","1.54178","CuKα","","0.0614","0.0525","","","0.1105","0.114","","","","","","0.989","","","","has coordinates","261622","2021-02-04","23:02:47",""
"7241505","17.2606","0.0004","10.9538","0.0003","8.1564","0.0002","90","","101.455","0.001","90","","1511.41","0.07","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","work","","","- C15 H20 N4 O2 -","- C15 H20 N4 O2 -","- C60 H80 N16 O8 -","4","0.5","","Arhangelskis, Mihails; Van Meervelt, Luc; Dobrzańska, Liliana","Influence of ligand composition on crystal structure formation ‒ isostructurality and morphotropism","CrystEngComm","2021","23","2","317","323","10.1039/D0CE01302A","","","1.54178","CuKα","","0.0424","0.0382","","","0.1023","0.1049","","","","","","1.082","","","","has coordinates","261622","2021-02-04","23:02:47",""
"7241506","9.516","0.005","11.674","0.005","11.894","0.005","112.366","0.005","112.21","0.005","96.653","0.005","1077.9","0.9","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C13 H10 Co0.5 Mo4 N4 O14 -","- C13 H10 Co0.5 Mo4 N4 O14 -","- C26 H20 Co Mo8 N8 O28 -","2","1","","Li, Lei; Wang, Xiang; Xu, Na; Chang, Zhihan; Liu, Guocheng; Lin, Hongyan; Wang, Xiuli","Four octamolybdate complexes constructed from a quinoline‒imidazole‒monoamide ligand: structures and electrochemical, photocatalytic and magnetic properties","CrystEngComm","2020","","","","","10.1039/D0CE01239D","","x-ray","0.71069","MoKα","K-L~3~","0.0284","0.0219","","","0.0587","0.0634","","","","","","1.0545","","","","has coordinates","259301","2020-11-29","02:40:24",""
"7241507","9.4894","0.0008","11.5879","0.0009","11.8821","0.001","112.196","0.001","112.175","0.001","96.767","0.002","1067.36","0.15","298","2","298","","","","","","","","","6","P -1","-P 1","2","","","","- C13 H11 Mo4 N4 Ni0.5 O14 -","- C13 H11 Mo4 N4 Ni0.5 O14 -","- C26 H22 Mo8 N8 Ni O28 -","2","1","","Li, Lei; Wang, Xiang; Xu, Na; Chang, Zhihan; Liu, Guocheng; Lin, Hongyan; Wang, Xiuli","Four octamolybdate complexes constructed from a quinoline‒imidazole‒monoamide ligand: structures and electrochemical, photocatalytic and magnetic properties","CrystEngComm","2020","","","","","10.1039/D0CE01239D","","x-ray","0.71073","MoKα","K-L~3~","0.0288","0.0223","","","0.0601","0.0651","","","","","","1.0552","","","","has coordinates","259301","2020-11-29","02:40:25",""
"7241508","9.442","0.002","11.678","0.003","11.863","0.003","111.96","0.005","112.088","0.004","96.905","0.005","1071.1","0.5","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C13 H11 Mo4 N4 O14 Zn0.5 -","- C13 H11 Mo4 N4 O14 Zn0.5 -","- C26 H22 Mo8 N8 O28 Zn -","2","1","","Li, Lei; Wang, Xiang; Xu, Na; Chang, Zhihan; Liu, Guocheng; Lin, Hongyan; Wang, Xiuli","Four octamolybdate complexes constructed from a quinoline‒imidazole‒monoamide ligand: structures and electrochemical, photocatalytic and magnetic properties","CrystEngComm","2020","","","","","10.1039/D0CE01239D","","x-ray","0.71073","MoKα","K-L~3~","0.0787","0.0399","","","0.0633","0.0761","","","","","","1.0241","","","","has coordinates","259301","2020-11-29","02:40:26",""
"7241509","12.4178","0.0012","11.4533","0.0012","15.9736","0.0016","90","","102.774","0.002","90","","2215.6","0.4","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H10 Cu Mo4 N4 O15 -","- C13 H10 Cu Mo4 N4 O15 -","- C52 H40 Cu4 Mo16 N16 O60 -","4","1","","Li, Lei; Wang, Xiang; Xu, Na; Chang, Zhihan; Liu, Guocheng; Lin, Hongyan; Wang, Xiuli","Four octamolybdate complexes constructed from a quinoline‒imidazole‒monoamide ligand: structures and electrochemical, photocatalytic and magnetic properties","CrystEngComm","2020","","","","","10.1039/D0CE01239D","","x-ray","0.71073","MoKα","K-L~3~","0.07","0.0396","","","0.0829","0.0951","","","","","","0.993","","","","has coordinates","259301","2020-11-29","02:40:26",""
"7241510","6.9299","0.0011","6.9584","0.001","15.946","0.002","99.753","0.005","96.384","0.005","98.812","0.005","741.41","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","5-Fluorouracil Caffeic Acid","5-Fluoropyrimidine-2,4(1H,3H)-dione 3-(3,4-dihydroxyphenyl)acrylic acid","","- C13 H15 F N2 O8 -","- C13 H15 F N2 O8 -","- C26 H30 F2 N4 O16 -","2","1","","Yu, Yue-Ming; Wang, Ling-Yang; Bu, Fan-Zhi; Wang, Lin-Lin; Li, Yan-Tuan; Wang, Cheng; Wu, Zhi-Yong","The supramolecular self-assembly of 5-fluorouracil and caffeic acid through cocrystallization strategy opens up a new way for the development of synergistic antitumor pharmaceutical cocrystal","CrystEngComm","2020","22","45","7992","8006","10.1039/D0CE01297A","","","0.71073","MoKα","","0.155","0.0688","","","0.1339","0.1582","","","","","","1.048","","","","has coordinates","259302","2020-11-29","02:40:59",""
"7241511","11.2878","0.0004","19.5609","0.0008","12.4512","0.0004","90","","93.307","0.002","90","","2744.64","0.17","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H33 Cl2 N5 O8 Pb -","- C21 H33 Cl2 N5 O8 Pb -","- C84 H132 Cl8 N20 O32 Pb4 -","4","1","","Esteban-Muriel, Agustín; Laglera-Gándara, Carlos J.; Mato-Iglesias, Marta; Tripier, Raphaël; Beyler, Maryline; de Blas, Andrés; Rodríguez-Blas, Teresa","A different approach: highly encapsulating macrocycles being used as organic tectons in the building of CPs","CrystEngComm","2021","23","2","453","464","10.1039/D0CE01499K","","x-ray","0.71073","MoKα","","0.0319","0.0294","","","0.0726","0.0735","","","","","","1.137","","","","has coordinates","261619","2021-02-04","23:01:55",""
"7241512","8.3269","0.0002","18.7143","0.0005","16.6875","0.0005","90","","99.729","0.003","90","","2563.05","0.12","170","2","170","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H39 Br0.74 Cl1.26 N5 O6 -","- C21 H39 Br0.738 Cl1.262 N5 O6 -","- C84 H156 Br2.952 Cl5.048 N20 O24 -","4","1","","Esteban-Muriel, Agustín; Laglera-Gándara, Carlos J.; Mato-Iglesias, Marta; Tripier, Raphaël; Beyler, Maryline; de Blas, Andrés; Rodríguez-Blas, Teresa","A different approach: highly encapsulating macrocycles being used as organic tectons in the building of CPs","CrystEngComm","2021","23","2","453","464","10.1039/D0CE01499K","","x-ray","0.71073","MoKα","","0.0421","0.0315","","","0.0689","0.0742","","","","","","1.055","","","","has coordinates,has disorder","261619","2021-02-04","23:01:59",""
"7241513","16.7209","0.0003","17.2504","0.0005","27.8319","0.0007","90","","93.438","0.002","90","","8013.4","0.3","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N-[(2E)-10-(4-chlorophenyl)-3-[(4-chlorophenyl)amino]-2,10-dihydrophenazin-2-ylidene]propan-2-aminium methanol 2-{2-[(2-chloro-6-methylphenyl)amino]phenyl}acetate","","- C41.75 H35.98 Cl4 N5 O2.75 -","- C41.745 H35.982 Cl4 N5 O2.745 -","- C333.96 H287.856 Cl32 N40 O21.96 -","8","1","","Bodart, Laurie; Prinzo, Maria; Derlet, Amélie; Tumanov, Nikolay; Wouters, Johan","Taking advantage of solvate formation to modulate drug‒drug ratio in clofaziminium diclofenac salts","CrystEngComm","2021","23","1","185","201","10.1039/D0CE01400A","","","1.54184","CuKα","","0.087","0.0592","","","0.1683","0.1928","","","","","","1.017","","","","has coordinates,has disorder","261597","2021-02-04","22:57:31",""
"7241514","10.7319","0.0004","13.6005","0.0006","21.5496","0.0009","73.502","0.004","77.404","0.004","73.54","0.004","2859.7","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","pentakis(1-phenylpropan-1-one) bis(N-[(2E)-10-(4-chlorophenyl) -3-[(4-chlorophenyl)amino]-2,10-dihydrophenazin-2-ylidene] propan-2-aminium) bis(2-{2-[(2,6-dichlorophenyl)amino]phenyl} acetate)","","- C127 H116 Cl8 N10 O9 -","- C127 H116 Cl8 N10 O9 -","- C127 H116 Cl8 N10 O9 -","1","0.5","","Bodart, Laurie; Prinzo, Maria; Derlet, Amélie; Tumanov, Nikolay; Wouters, Johan","Taking advantage of solvate formation to modulate drug‒drug ratio in clofaziminium diclofenac salts","CrystEngComm","2021","23","1","185","201","10.1039/D0CE01400A","","","1.54184","CuKα","","0.0777","0.0521","","","0.1376","0.1602","","","","","","1.024","","","","has coordinates,has disorder","261597","2021-02-04","22:57:31",""
"7241515","12.5325","0.0005","13.1139","0.0003","13.1773","0.0004","82.032","0.002","71.833","0.003","74.538","0.003","1979.61","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Clofaziminium (1+) diclofenac (1-) ethanol solvate","N-[(2E)-10-(4-chlorophenyl)-3-[(4-chlorophenyl)amino] -2,10-dihydrophenazin-2-ylidene]propan-2-aminium ethanol 2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetate","","- C43 H39 Cl4 N5 O3 -","- C43 H39 Cl4 N5 O3 -","- C86 H78 Cl8 N10 O6 -","2","1","","Bodart, Laurie; Prinzo, Maria; Derlet, Amélie; Tumanov, Nikolay; Wouters, Johan","Taking advantage of solvate formation to modulate drug‒drug ratio in clofaziminium diclofenac salts","CrystEngComm","2021","23","1","185","201","10.1039/D0CE01400A","","","1.54184","CuKα","","0.0596","0.0569","","","0.1599","0.1655","","","","","","1.068","","","","has coordinates","261597","2021-02-04","22:57:31",""
"7241516","11.9326","0.0003","15.2549","0.0004","16.0042","0.0004","89.161","0.002","70.57","0.002","69.693","0.002","2559.79","0.12","295","2","295","2","","","","","","","","5","P -1","-P 1","2","clofaziminium 1+ diclofenac 1- diclofenac salt cocrystal","2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid N- [(2E)-10-(4-chlorophenyl)-3-[(4- chlorophenyl)amino]-2,10-dihydrophenazin-2- ylidene]propan-2-aminium 2-{2-[(2,6- dichlorophenyl)amino]phenyl}acetate","","- C55 H44 Cl6 N6 O4 -","- C55 H44 Cl6 N6 O4 -","- C110 H88 Cl12 N12 O8 -","2","1","","Bodart, Laurie; Prinzo, Maria; Derlet, Amélie; Tumanov, Nikolay; Wouters, Johan","Taking advantage of solvate formation to modulate drug‒drug ratio in clofaziminium diclofenac salts","CrystEngComm","2021","23","1","185","201","10.1039/D0CE01400A","","","1.54184","CuKα","","0.052","0.0449","","","0.1215","0.1289","","","","","","1.042","","","","has coordinates","261597","2021-02-04","22:57:31",""
"7241517","10.4132","0.0005","21.2266","0.0007","25.0657","0.0007","66.238","0.003","89.969","0.003","86.658","0.003","5060.5","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","nonakis(2-hydroxybenzaldehyde) tetrakis(N-[(2E)-10- (4-chlorophenyl)-3-[(4-chlorophenyl)amino]-2,10- dihydrophenazin-2-ylidene]propan-2-aminium) tetrakis(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetate) hydrate","","- C227 H188 Cl16 N20 O27 -","- C227 H188 Cl16 N20 O27 -","- C227 H188 Cl16 N20 O27 -","1","0.5","","Bodart, Laurie; Prinzo, Maria; Derlet, Amélie; Tumanov, Nikolay; Wouters, Johan","Taking advantage of solvate formation to modulate drug‒drug ratio in clofaziminium diclofenac salts","CrystEngComm","2021","23","1","185","201","10.1039/D0CE01400A","","","1.54184","CuKα","","0.0751","0.0595","","","0.1527","0.1709","","","","","","1.032","","","","has coordinates,has disorder","261597","2021-02-04","22:57:31",""
"7241518","12.4461","0.0006","13.2751","0.0005","13.3667","0.0006","84.423","0.003","67.963","0.004","66.662","0.004","1876.21","0.16","295","2","295","2","","","","","","","","5","P -1","-P 1","2","clofaziminium diclofenac","N-[(2E)-10-(4-chlorophenyl)-3-[(4-chlorophenyl)amino]-2,10- dihydrophenazin-2-ylidene]propan-2-aminium 2-{2- [(2,6-dichlorophenyl)amino]phenyl}acetate","","- C41 H33 Cl4 N5 O2 -","- C41 H33 Cl4 N5 O2 -","- C82 H66 Cl8 N10 O4 -","2","1","","Bodart, Laurie; Prinzo, Maria; Derlet, Amélie; Tumanov, Nikolay; Wouters, Johan","Taking advantage of solvate formation to modulate drug‒drug ratio in clofaziminium diclofenac salts","CrystEngComm","2021","23","1","185","201","10.1039/D0CE01400A","","","1.54184","CuKα","","0.0622","0.048","","","0.1247","0.1409","","","","","","1.028","","","","has coordinates","261597","2021-02-04","22:57:31",""
"7241519","11.6515","0.0003","11.7149","0.0003","16.0793","0.0004","103.558","0.002","90.461","0.002","105.25","0.002","2052.78","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","N-[(2E)-10-(4-chlorophenyl)-3-[(4-chlorophenyl)amino]-2,10- dihydrophenazin-2-ylidene] propan-2-aminium acetonitrile 2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetate dihydrate","","- C43 H40 Cl4 N6 O4 -","- C43 H40 Cl4 N6 O4 -","- C86 H80 Cl8 N12 O8 -","2","1","","Bodart, Laurie; Prinzo, Maria; Derlet, Amélie; Tumanov, Nikolay; Wouters, Johan","Taking advantage of solvate formation to modulate drug‒drug ratio in clofaziminium diclofenac salts","CrystEngComm","2021","23","1","185","201","10.1039/D0CE01400A","","","1.54184","CuKα","","0.032","0.0312","","","0.0795","0.0802","","","","","","1.032","","","","has coordinates","261597","2021-02-04","22:57:31",""
"7241520","10.8837","0.0002","14.4737","0.0003","17.7519","0.0004","101.568","0.002","105.173","0.002","94.286","0.002","2620.06","0.1","295","2","295","2","","","","","","","","5","P -1","-P 1","2","clofaziminium diclofenac (1-) diclofenac salt cocrystal","2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid N- [(2E)-10-(4-chlorophenyl)-3-[(4- chlorophenyl)amino]-2,10-dihydrophenazin-2- ylidene]propan-2-aminium 2-{2-[(2,6- dichlorophenyl)amino]phenyl}acetate","","- C55 H44 Cl6 N6 O4 -","- C55 H44 Cl6 N6 O4 -","- C110 H88 Cl12 N12 O8 -","2","1","","Bodart, Laurie; Prinzo, Maria; Derlet, Amélie; Tumanov, Nikolay; Wouters, Johan","Taking advantage of solvate formation to modulate drug‒drug ratio in clofaziminium diclofenac salts","CrystEngComm","2021","23","1","185","201","10.1039/D0CE01400A","","","1.54184","CuKα","","0.056","0.0504","","","0.1352","0.1407","","","","","","1.047","","","","has coordinates","261597","2021-02-04","22:57:31",""
"7241521","12.5818","0.0004","13.4486","0.0003","13.5318","0.0003","80.291","0.002","71.638","0.002","71.71","0.002","2057.12","0.1","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","N-[(2E)-10-(4-chlorophenyl)-3-[(4-chlorophenyl)amino] -2,10-dihydrophenazin-2-ylidene]propan-2-aminium ethanol 2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetate","","- C43 H39 Cl4 N5 O3 -","- C43 H39 Cl4 N5 O3 -","- C86 H78 Cl8 N10 O6 -","2","1","","Bodart, Laurie; Prinzo, Maria; Derlet, Amélie; Tumanov, Nikolay; Wouters, Johan","Taking advantage of solvate formation to modulate drug‒drug ratio in clofaziminium diclofenac salts","CrystEngComm","2021","23","1","185","201","10.1039/D0CE01400A","","","1.54184","CuKα","","0.0549","0.05","","","0.1389","0.1455","","","","","","1.063","","","","has coordinates,has disorder","261597","2021-02-04","22:57:31",""
"7241522","10.5086","0.0004","13.4783","0.0005","21.4224","0.0008","73.629","0.003","76.913","0.003","73.271","0.003","2752.92","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","pentakis(1-phenylpropan-1-one) bis(N-[(2E)-10-(4-chlorophenyl) -3-[(4-chlorophenyl)amino]-2,10-dihydrophenazin-2-ylidene] propan-2-aminium) bis(2-{2-[(2,6-dichlorophenyl)amino]phenyl} acetate)","","- C127 H116 Cl8 N10 O9 -","- C127 H116 Cl8 N10 O9 -","- C127 H116 Cl8 N10 O9 -","1","0.5","","Bodart, Laurie; Prinzo, Maria; Derlet, Amélie; Tumanov, Nikolay; Wouters, Johan","Taking advantage of solvate formation to modulate drug‒drug ratio in clofaziminium diclofenac salts","CrystEngComm","2021","23","1","185","201","10.1039/D0CE01400A","","","1.54184","CuKα","","0.0474","0.0351","","","0.0831","0.0903","","","","","","1.028","","","","has coordinates,has disorder","261597","2021-02-04","22:57:31",""
"7241523","15.0569","0.0004","15.3773","0.0004","15.4247","0.0004","76.043","0.002","61.975","0.003","63.541","0.003","2820.07","0.16","295","2","295","2","","","","","","","","5","P -1","-P 1","2","Clofaziminium 1+ diclofenac 1- diclofenac ethylacetate solvate","2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid N- [10-(4-chlorophenyl)-3-[(4-chlorophenyl)amino]- 2,10-dihydrophenazin-2-ylidene]propan-2-aminium ethyl acetate 2-{2-[(2,6-dichlorophenyl)amino]phenyl} acetate","","- C59 H52 Cl6 N6 O6 -","- C59 H52 Cl6 N6 O6 -","- C118 H104 Cl12 N12 O12 -","2","1","","Bodart, Laurie; Prinzo, Maria; Derlet, Amélie; Tumanov, Nikolay; Wouters, Johan","Taking advantage of solvate formation to modulate drug‒drug ratio in clofaziminium diclofenac salts","CrystEngComm","2021","23","1","185","201","10.1039/D0CE01400A","","","1.54184","CuKα","","0.0455","0.0417","","","0.1175","0.1217","","","","","","1.052","","","","has coordinates","261597","2021-02-04","22:57:31",""
"7241524","15.0694","0.0011","15.2735","0.001","15.5991","0.0013","74.882","0.007","61.685","0.008","64.227","0.007","2839.6","0.4","295","2","295","2","","","","","","","","5","P -1","-P 1","2","Clofaziminium 1+ diclofenac 1- diclofenac acetonitrile solvated cocrystal of salt","2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid N-[(2E)-10-(4-chlorophenyl)-3-[(4-chlorophenyl)amino]- 2,10-dihydrophenazin-2-ylidene]propan-2-aminium bis(acetonitrile) 2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetate","","- C59 H50 Cl6 N8 O4 -","- C59 H50 Cl6 N8 O4 -","- C118 H100 Cl12 N16 O8 -","2","1","","Bodart, Laurie; Prinzo, Maria; Derlet, Amélie; Tumanov, Nikolay; Wouters, Johan","Taking advantage of solvate formation to modulate drug‒drug ratio in clofaziminium diclofenac salts","CrystEngComm","2021","23","1","185","201","10.1039/D0CE01400A","","","1.54184","CuKα","","0.0629","0.0496","","","0.1422","0.1589","","","","","","1.077","","","","has coordinates,has disorder","261597","2021-02-04","22:57:31",""
"7241525","11.3186","0.0013","15.9262","0.0017","11.5922","0.0013","90","","118.548","0.0012","90","","1835.6","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H36 Br10 N4 O2 Pb3 -","- C14 H36 Br10 N4 O2 Pb3 -","- C28 H72 Br20 N8 O4 Pb6 -","2","0.5","","Jing, Chang-Qing; Li, Jing-Zhao; Xu, Te; Jiang, Kuan; Zhao, Xue-Jie; Wu, Yu-Fang; Xue, Nian-Ting; Jing, Zhi-Hong; Lei, Xiao-Wu","Organic cations directed 1D [Pb3Br10]4− chains: syntheses, crystal structures, and photoluminescence properties","CrystEngComm","2021","23","2","292","298","10.1039/D0CE01457E","","","0.71073","MoKα","","0.0684","0.0478","","","0.1565","0.1674","","","","","","1.11","","","","has coordinates","261614","2021-02-04","23:00:45",""
"7241526","11.3799","0.0008","14.9895","0.0011","11.4899","0.0008","90","","116.744","0.0008","90","","1750.3","0.2","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H36 Br10 N4 Pb3 -","- C12 H36 Br10 N4 Pb3 -","- C24 H72 Br20 N8 Pb6 -","2","0.5","","Jing, Chang-Qing; Li, Jing-Zhao; Xu, Te; Jiang, Kuan; Zhao, Xue-Jie; Wu, Yu-Fang; Xue, Nian-Ting; Jing, Zhi-Hong; Lei, Xiao-Wu","Organic cations directed 1D [Pb3Br10]4− chains: syntheses, crystal structures, and photoluminescence properties","CrystEngComm","2021","23","2","292","298","10.1039/D0CE01457E","","","0.71073","MoKα","","0.0726","0.0511","","","0.1486","0.1679","","","","","","0.9785","","","","has coordinates","261614","2021-02-04","23:00:45",""
"7241527","20.368","0.003","8.0895","0.0012","22.524","0.003","90","","114.569","0.0017","90","","3375.2","0.8","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H32 Br10 N4 Pb3 -","- C10 H32 Br10 N4 Pb3 -","- C40 H128 Br40 N16 Pb12 -","4","0.5","","Jing, Chang-Qing; Li, Jing-Zhao; Xu, Te; Jiang, Kuan; Zhao, Xue-Jie; Wu, Yu-Fang; Xue, Nian-Ting; Jing, Zhi-Hong; Lei, Xiao-Wu","Organic cations directed 1D [Pb3Br10]4− chains: syntheses, crystal structures, and photoluminescence properties","CrystEngComm","2021","23","2","292","298","10.1039/D0CE01457E","","","0.71073","MoKα","","0.0686","0.0474","","","0.1093","0.1207","","","","","","1.0423","","","","has coordinates","261614","2021-02-04","23:00:45",""
"7241528","43.481","0.007","21.109","0.003","22.589","0.004","90","","109.211","0.003","90","","19579","5","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C44 H48 B12 Cl12 Cu N4 O4 -","- C44 H48 B12 Cl12 Cu N4 O4 -","- C352 H384 B96 Cl96 Cu8 N32 O32 -","8","1","","Wang, Lingyao; Jiang, Tao; Duttwyler, Simon; Zhang, Yuanbin","Supramolecular Cu(ii)‒dipyridyl frameworks featuring weakly coordinating dodecaborate dianions for selective gas separation","CrystEngComm","2021","23","2","282","291","10.1039/D0CE01395A","","","0.71073","MoKα","","0.1325","0.0983","","","0.2539","0.2738","","","","","","1.11","","","","has coordinates","261627","2021-02-04","23:03:46",""
"7241529","13.943","0.003","14.893","0.003","15.01","0.003","94.689","0.004","104.281","0.004","115.487","0.004","2663","1","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","BSF-72","","- C48 H36 B12 Cl12 Cu2 N6 O4 -","- C48 H36 B12 Cl12 Cu2 N6 O4 -","- C48 H36 B12 Cl12 Cu2 N6 O4 -","1","0.5","","Wang, Lingyao; Jiang, Tao; Duttwyler, Simon; Zhang, Yuanbin","Supramolecular Cu(ii)‒dipyridyl frameworks featuring weakly coordinating dodecaborate dianions for selective gas separation","CrystEngComm","2021","23","2","282","291","10.1039/D0CE01395A","","","0.71073","MoKα","","0.1483","0.0754","","","0.2213","0.2465","","","","","","1.085","","","","has coordinates","261627","2021-02-04","23:03:46",""
"7241530","33.475","0.003","33.475","0.003","39.463","0.005","90","","90","","90","","44221","8","296","2","296","2","","","","","","","","7","P -4 21 c","P -4 2n","114","","BSF-74","","- C68 H60 B24 Cl24 Cu2 N8 O4 -","- C68 H60 B24 Cl24 Cu2 N8 O4 -","- C1088 H960 B384 Cl384 Cu32 N128 O64 -","16","2","","Wang, Lingyao; Jiang, Tao; Duttwyler, Simon; Zhang, Yuanbin","Supramolecular Cu(ii)‒dipyridyl frameworks featuring weakly coordinating dodecaborate dianions for selective gas separation","CrystEngComm","2021","23","2","282","291","10.1039/D0CE01395A","","","0.71073","MoKα","","0.0922","0.0627","","","0.1693","0.1896","","","","","","1.023","","","","has coordinates","261627","2021-02-04","23:03:46",""
"7241531","29.813","0.006","4.787","0.002","9.861","0.002","90","0.03","90","0.03","90","0.03","1407.3","0.7","296.15","","296.15","","","","","","","","","4","P c a 21","P 2c -2ac","29","Nicorandil-Fumaric acid salt","","","- C12 H13 N3 O8 -","- C12 H13 N3 O8 -","- C48 H52 N12 O32 -","4","1","","Mannava, M. K. Chaitanya; Gunnam, Anilkumar; Lodagekar, Anurag; Shastri, Nalini R.; Nangia, Ashwini K.; Solomon, K. Anand","Enhanced solubility, permeability, and tabletability of nicorandil by salt and cocrystal formation","CrystEngComm","2021","23","1","227","237","10.1039/D0CE01316A","","","0.71076","MoKα","","0.0307","0.0284","","","0.069","0.0706","","","","","","1.072","","","","has coordinates","261590","2021-02-04","22:56:21",""
"7241532","6.835","0.002","23.752","0.005","8.939","0.002","90","","101.16","0.03","90","","1423.8","0.6","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Nicorandil-Subaric acid cocrystal","","","- C12 H16 N3 O6 -","- C12 H16 N3 O6 -","- C48 H64 N12 O24 -","4","1","","Mannava, M. K. Chaitanya; Gunnam, Anilkumar; Lodagekar, Anurag; Shastri, Nalini R.; Nangia, Ashwini K.; Solomon, K. Anand","Enhanced solubility, permeability, and tabletability of nicorandil by salt and cocrystal formation","CrystEngComm","2021","23","1","227","237","10.1039/D0CE01316A","","","0.71076","MoKα","","0.1291","0.0606","","","0.1345","0.1635","","","","","","1.015","","","","has coordinates","261590","2021-02-04","22:56:21",""
"7241533","12.695","0.0003","11.9208","0.0003","28.7356","0.0008","90","","93.129","0.002","90","","4342.21","0.19","173","0.1","173","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H92 N4 Nd2 O44 Zn8 -","- C64 H90 N4 Nd2 O44 Zn8 -","- C128 H180 N8 Nd4 O88 Zn16 -","2","0.5","","Song, Xue-Qin; Xia, Xue-Li; Song, Fu-Qiang; Liu, Guo-Hua; Wang, Li","Tuning the coordination behavior of an unexplored asymmetric multidentate ligand for developing diverse heterometallic architectures with luminescent and magnetic properties","CrystEngComm","2021","23","4","1000","1012","10.1039/D0CE01298J","","","0.71073","MoKα","","0.064","0.0448","","","0.0953","0.1067","","","","","","1.07","","","","has coordinates","261607","2021-02-04","22:59:21",""
"7241534","13.0554","0.0006","12.0662","0.0006","26.2854","0.001","90","","94.196","0.004","90","","4129.6","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H84 Er2 N6 O39 Zn8 -","- C66 H84 Er2 N6 O39 Zn8 -","- C132 H168 Er4 N12 O78 Zn16 -","2","0.5","","Song, Xue-Qin; Xia, Xue-Li; Song, Fu-Qiang; Liu, Guo-Hua; Wang, Li","Tuning the coordination behavior of an unexplored asymmetric multidentate ligand for developing diverse heterometallic architectures with luminescent and magnetic properties","CrystEngComm","2021","23","4","1000","1012","10.1039/D0CE01298J","","","1.54184","CuKα","","0.0613","0.058","","","0.1667","0.1696","","","","","","1.086","","","","has coordinates","261607","2021-02-04","22:59:21",""
"7241535","35.0049","0.0013","12.2103","0.001","17.8898","0.0009","90","","91.002","0.003","90","","7645.3","0.8","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H70 N10 Ni2 O30 Tb2 -","- C54 H72 N10 Ni2 O30 Tb2 -","- C216 H288 N40 Ni8 O120 Tb8 -","4","0.5","","Song, Xue-Qin; Xia, Xue-Li; Song, Fu-Qiang; Liu, Guo-Hua; Wang, Li","Tuning the coordination behavior of an unexplored asymmetric multidentate ligand for developing diverse heterometallic architectures with luminescent and magnetic properties","CrystEngComm","2021","23","4","1000","1012","10.1039/D0CE01298J","","","0.71073","MoKα","","0.064","0.0449","","","0.1006","0.1147","","","","","","1.058","","","","has coordinates","261607","2021-02-04","22:59:21",""
"7241536","12.8027","0.0009","11.7339","0.0008","28.8","0.002","90","","93.274","0.002","90","","4319.4","0.5","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H78 Dy2 N4 O40 Zn8 -","- C62 H78 Dy2 N4 O40 Zn8 -","- C124 H156 Dy4 N8 O80 Zn16 -","2","0.5","","Song, Xue-Qin; Xia, Xue-Li; Song, Fu-Qiang; Liu, Guo-Hua; Wang, Li","Tuning the coordination behavior of an unexplored asymmetric multidentate ligand for developing diverse heterometallic architectures with luminescent and magnetic properties","CrystEngComm","2021","23","4","1000","1012","10.1039/D0CE01298J","","","0.71073","MoKα","","0.0546","0.0437","","","0.1218","0.1308","","","","","","1.028","","","","has coordinates","261607","2021-02-04","22:59:21",""
"7241537","11.3623","0.0004","15.8821","0.0006","20.216","0.0006","99.724","0.003","93.835","0.003","102.377","0.003","3491.9","0.2","173","10","173","10","","","","","","","","6","P -1","-P 1","2","","","","- C54 H68 N6 Ni3 O27 Tb2 -","- C54 H68 N6 Ni3 O27 Tb2 -","- C108 H136 N12 Ni6 O54 Tb4 -","2","1","","Song, Xue-Qin; Xia, Xue-Li; Song, Fu-Qiang; Liu, Guo-Hua; Wang, Li","Tuning the coordination behavior of an unexplored asymmetric multidentate ligand for developing diverse heterometallic architectures with luminescent and magnetic properties","CrystEngComm","2021","23","4","1000","1012","10.1039/D0CE01298J","","","1.54184","CuKα","","0.0516","0.0395","","","0.0957","0.1041","","","","","","1.037","","","","has coordinates","261607","2021-02-04","22:59:22",""
"7241538","12.6336","0.0015","11.8953","0.0014","28.764","0.004","90","","92.839","0.004","90","","4317.4","0.9","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H78 N4 O40 Tb2 Zn8 -","- C62 H78 N4 O40 Tb2 Zn8 -","- C124 H156 N8 O80 Tb4 Zn16 -","2","0.5","","Song, Xue-Qin; Xia, Xue-Li; Song, Fu-Qiang; Liu, Guo-Hua; Wang, Li","Tuning the coordination behavior of an unexplored asymmetric multidentate ligand for developing diverse heterometallic architectures with luminescent and magnetic properties","CrystEngComm","2021","23","4","1000","1012","10.1039/D0CE01298J","","","0.71073","MoKα","","0.0743","0.0584","","","0.1592","0.1728","","","","","","0.99","","","","has coordinates,has disorder","261607","2021-02-04","22:59:22",""
"7241539","27.515","0.007","19.112","0.005","27.087","0.007","90","","102.745","0.003","90","","13893","6","298","2","298","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C76 H111 Ge12 N16 O84 Pr11 -","- C76 H72 Ge12 N16 O80 Pr11 -","- C304 H288 Ge48 N64 O320 Pr44 -","4","1","","Li, Leilei; Cai, Bin; Pang, Donghui; Du, Xinxin; Yin, Xingliang; Wang, Huaiwei; Yang, Jie; Li, Dacheng; Dou, Jianmin","Construction of high-nuclear 4p‒4f heterometallic {Ln11Ge12} cluster-organic frameworks with high-sensitivity luminescence sensing of Fe3+ in aqueous solution","CrystEngComm","2020","","","","","10.1039/D0CE01493A","","","0.71073","MoKα","","0.0715","0.0503","","","0.1263","0.1416","","","","","","1.007","","","","has coordinates","259309","2020-11-29","02:49:26",""
"7241540","27.547","0.005","19.086","0.004","27.056","0.005","90","","103.12","0.002","90","","13854","5","298","2","298","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C76 H111 Ge12 N16 Nd11 O84 -","- C76 H72 Ge12 N16 Nd11 O80 -","- C304 H288 Ge48 N64 Nd44 O320 -","4","1","","Li, Leilei; Cai, Bin; Pang, Donghui; Du, Xinxin; Yin, Xingliang; Wang, Huaiwei; Yang, Jie; Li, Dacheng; Dou, Jianmin","Construction of high-nuclear 4p‒4f heterometallic {Ln11Ge12} cluster-organic frameworks with high-sensitivity luminescence sensing of Fe3+ in aqueous solution","CrystEngComm","2020","","","","","10.1039/D0CE01493A","","","0.71073","MoKα","","0.1029","0.068","","","0.1691","0.1946","","","","","","0.999","","","","has coordinates","259309","2020-11-29","02:49:27",""
"7241541","13.353","0.003","10.6593","0.0016","13.978","0.003","90","","101.058","0.016","90","","1952.6","0.7","120","2","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 Cu2 I2 N2 S2 -","- C16 H14 Cu2 I2 N2 S2 -","- C64 H56 Cu8 I8 N8 S8 -","4","1","","Chojnacki, Jarosław; Mońka, Michał; Serdiuk, Illia E.; Bojarski, Piotr; Połoński, Tadeusz; Olszewska, Teresa","Copper(i) halide cluster-based coordination polymers modulated by chiral ditopic dithiodianthranilide ligands: synthesis, crystal structure and photoluminescence","CrystEngComm","2021","23","2","299","307","10.1039/D0CE01589J","","","0.71073","MoKα","","0.0469","0.0418","","","0.1066","0.1102","","","","","","1.004","","","","has coordinates","261621","2021-02-04","23:02:25",""
"7241542","8.7415","0.0004","17.1309","0.0008","13.1531","0.0006","90","","95.007","0.003","90","","1962.16","0.16","120","","120","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H31 Br3 Cu3 N5 S4 -","- C34 H31 Br3 Cu3 N5 S4 -","- C68 H62 Br6 Cu6 N10 S8 -","2","1","","Chojnacki, Jarosław; Mońka, Michał; Serdiuk, Illia E.; Bojarski, Piotr; Połoński, Tadeusz; Olszewska, Teresa","Copper(i) halide cluster-based coordination polymers modulated by chiral ditopic dithiodianthranilide ligands: synthesis, crystal structure and photoluminescence","CrystEngComm","2021","23","2","299","307","10.1039/D0CE01589J","","","0.71073","MoKα","","0.13","0.1047","","","0.2592","0.2926","","","","","","1.035","","","","has coordinates","261621","2021-02-04","23:02:29",""
"7241543","13.306","0.003","10.4481","0.0012","13.639","0.003","90","","99.86","0.015","90","","1868.1","0.6","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 Br2 Cu2 N2 S2 -","- C16 H14 Br2 Cu2 N2 S2 -","- C64 H56 Br8 Cu8 N8 S8 -","4","1","","Chojnacki, Jarosław; Mońka, Michał; Serdiuk, Illia E.; Bojarski, Piotr; Połoński, Tadeusz; Olszewska, Teresa","Copper(i) halide cluster-based coordination polymers modulated by chiral ditopic dithiodianthranilide ligands: synthesis, crystal structure and photoluminescence","CrystEngComm","2021","23","2","299","307","10.1039/D0CE01589J","","","0.71073","MoKα","","0.0628","0.0526","","","0.1395","0.1473","","","","","","1.061","","","","has coordinates","261621","2021-02-04","23:02:39",""
"7241544","8.8353","0.0002","16.7129","0.0005","13.6256","0.0004","90","","99.427","0.002","90","","1984.83","0.1","120","2","120","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H34 Cl3 Cu3 N6 S4 -","- C36 H34 Cl3 Cu3 N6 S4 -","- C72 H68 Cl6 Cu6 N12 S8 -","2","1","","Chojnacki, Jarosław; Mońka, Michał; Serdiuk, Illia E.; Bojarski, Piotr; Połoński, Tadeusz; Olszewska, Teresa","Copper(i) halide cluster-based coordination polymers modulated by chiral ditopic dithiodianthranilide ligands: synthesis, crystal structure and photoluminescence","CrystEngComm","2021","23","2","299","307","10.1039/D0CE01589J","","","0.71073","MoKα","","0.0697","0.0552","","","0.1542","0.1654","","","","","","1.032","","","","has coordinates","261621","2021-02-04","23:02:39",""
"7241545","19.2485","0.0011","16.5225","0.0008","21.3838","0.0011","90","","114.655","0.004","90","","6180.8","0.6","120","","120","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C28 H22 Cu2 I2 N2 S2 -","- C28 H22 Cu2 I2 N2 S2 -","- C224 H176 Cu16 I16 N16 S16 -","8","1","","Chojnacki, Jarosław; Mońka, Michał; Serdiuk, Illia E.; Bojarski, Piotr; Połoński, Tadeusz; Olszewska, Teresa","Copper(i) halide cluster-based coordination polymers modulated by chiral ditopic dithiodianthranilide ligands: synthesis, crystal structure and photoluminescence","CrystEngComm","2021","23","2","299","307","10.1039/D0CE01589J","","","0.71073","MoKα","","0.06","0.0557","","","0.1558","0.159","","","","","","1.09","","","","has coordinates","261621","2021-02-04","23:02:39",""
"7241546","10.3178","0.0004","15.5879","0.0011","21.9885","0.0008","90","","90","","90","","3536.5","0.3","120","","120","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 Cu5 I5 N5 S2 -","- C22 H23 Cu5 I5 N5 S2 -","- C88 H92 Cu20 I20 N20 S8 -","4","1","","Chojnacki, Jarosław; Mońka, Michał; Serdiuk, Illia E.; Bojarski, Piotr; Połoński, Tadeusz; Olszewska, Teresa","Copper(i) halide cluster-based coordination polymers modulated by chiral ditopic dithiodianthranilide ligands: synthesis, crystal structure and photoluminescence","CrystEngComm","2021","23","2","299","307","10.1039/D0CE01589J","","","0.71073","MoKα","","0.0297","0.0252","","","0.0556","0.0566","","","","","","1.065","","","","has coordinates","261621","2021-02-04","23:02:39",""
"7241547","10.6426","0.0012","11.6334","0.0014","12.1551","0.0015","108.021","0.009","107.195","0.009","98.463","0.009","1319.1","0.3","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H22 Br2 Cu2 N2 S2 -","- C28 H22 Br2 Cu2 N2 S2 -","- C56 H44 Br4 Cu4 N4 S4 -","2","1","","Chojnacki, Jarosław; Mońka, Michał; Serdiuk, Illia E.; Bojarski, Piotr; Połoński, Tadeusz; Olszewska, Teresa","Copper(i) halide cluster-based coordination polymers modulated by chiral ditopic dithiodianthranilide ligands: synthesis, crystal structure and photoluminescence","CrystEngComm","2021","23","2","299","307","10.1039/D0CE01589J","","","0.71073","MoKα","","0.0398","0.0309","","","0.0784","0.0822","","","","","","1.026","","","","has coordinates","261621","2021-02-04","23:02:39",""
"7241548","8.7179","0.0009","16.8411","0.0017","12.8872","0.0013","90","","94.018","0.008","90","","1887.4","0.3","120","","120","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H31 Cl4 Cu3 N5 S4 -","- C34 H31 Cl4 Cu3 N5 S4 -","- C68 H62 Cl8 Cu6 N10 S8 -","2","1","","Chojnacki, Jarosław; Mońka, Michał; Serdiuk, Illia E.; Bojarski, Piotr; Połoński, Tadeusz; Olszewska, Teresa","Copper(i) halide cluster-based coordination polymers modulated by chiral ditopic dithiodianthranilide ligands: synthesis, crystal structure and photoluminescence","CrystEngComm","2021","23","2","299","307","10.1039/D0CE01589J","","","0.71073","MoKα","","0.042","0.0386","","","0.0998","0.1017","","","","","","1.058","","","","has coordinates","261621","2021-02-04","23:02:39",""
"7241549","9.372","0.0003","14.5073","0.0009","16.6745","0.0007","90","","98.533","0.003","90","","2242.01","0.18","120","2","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 N2 S2 -","- C28 H22 N2 S2 -","- C112 H88 N8 S8 -","4","1","","Chojnacki, Jarosław; Mońka, Michał; Serdiuk, Illia E.; Bojarski, Piotr; Połoński, Tadeusz; Olszewska, Teresa","Copper(i) halide cluster-based coordination polymers modulated by chiral ditopic dithiodianthranilide ligands: synthesis, crystal structure and photoluminescence","CrystEngComm","2021","23","2","299","307","10.1039/D0CE01589J","","","0.71073","MoKα","","0.0666","0.0548","","","0.1369","0.1542","","","","","","1.153","","","","has coordinates","261621","2021-02-04","23:02:39",""
"7241550","13.3327","0.0008","11.2308","0.0004","13.8158","0.0008","90","","101.542","0.005","90","","2026.9","0.19","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 Ag2 I2 N2 S2 -","- C16 H14 Ag2 I2 N2 S2 -","- C64 H56 Ag8 I8 N8 S8 -","4","1","","Chojnacki, Jarosław; Mońka, Michał; Serdiuk, Illia E.; Bojarski, Piotr; Połoński, Tadeusz; Olszewska, Teresa","Copper(i) halide cluster-based coordination polymers modulated by chiral ditopic dithiodianthranilide ligands: synthesis, crystal structure and photoluminescence","CrystEngComm","2021","23","2","299","307","10.1039/D0CE01589J","","","0.71073","MoKα","","0.0233","0.0194","","","0.0472","0.048","","","","","","1.074","","","","has coordinates","261621","2021-02-04","23:02:39",""
"7241551","8.4843","0.0006","12.6359","0.001","12.9071","0.001","118.091","0.002","92.772","0.003","90.816","0.003","1218.22","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H30 N4 O24 U3 -","- C38 H26 N4 O24 U3 -","- C38 H26 N4 O24 U3 -","1","0.5","","Andreev, Grigory; Budantseva, Nina; Levtsova, Anastasiya; Sokolova, Marina; Fedoseev, Aleksander","Formation of uranyl phthalate coordination polymers with unusual 2D net topologies in the presence of organic cations","CrystEngComm","2020","","","","","10.1039/D0CE01323D","","","0.71073","MoKα","","0.0687","0.0406","","","0.0868","0.0975","","","","","","1.015","","","","has coordinates,has disorder","259311","2020-11-29","02:52:52",""
"7241552","10.1384","0.0003","11.2472","0.0003","14.7855","0.0005","86.445","0.002","70.913","0.001","83.187","0.002","1581.55","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H40 N2 O26 U4 -","- C40 H40 N2 O26 U4 -","- C40 H40 N2 O26 U4 -","1","0.5","","Andreev, Grigory; Budantseva, Nina; Levtsova, Anastasiya; Sokolova, Marina; Fedoseev, Aleksander","Formation of uranyl phthalate coordination polymers with unusual 2D net topologies in the presence of organic cations","CrystEngComm","2020","","","","","10.1039/D0CE01323D","","","0.71073","MoKα","","0.0708","0.037","","","0.0714","0.0796","","","","","","1","","","","has coordinates","259311","2020-11-29","02:52:53",""
"7241553","10.7273","0.0017","13.272","0.0018","13.4848","0.0019","113.935","0.003","91.71","0.004","107.802","0.004","1644.4","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H28 N2 O26 U4 -","- C36 H28 N2 O26 U4 -","- C36 H28 N2 O26 U4 -","1","0.5","","Andreev, Grigory; Budantseva, Nina; Levtsova, Anastasiya; Sokolova, Marina; Fedoseev, Aleksander","Formation of uranyl phthalate coordination polymers with unusual 2D net topologies in the presence of organic cations","CrystEngComm","2020","","","","","10.1039/D0CE01323D","","","0.71073","MoKα","","0.1104","0.0504","","","0.0905","0.1027","","","","","","1.014","","","","has coordinates,has disorder","259311","2020-11-29","02:52:54",""
"7241554","10.6805","0.0005","10.9041","0.0004","24.3091","0.001","79.476","0.001","82.372","0.001","63.21","0.001","2480.58","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H60 N8 O48 U7 -","- C80 H60 N8 O48 U7 -","- C80 H60 N8 O48 U7 -","1","0.5","","Andreev, Grigory; Budantseva, Nina; Levtsova, Anastasiya; Sokolova, Marina; Fedoseev, Aleksander","Formation of uranyl phthalate coordination polymers with unusual 2D net topologies in the presence of organic cations","CrystEngComm","2020","","","","","10.1039/D0CE01323D","","","0.71073","MoKα","","0.0773","0.043","","","0.0871","0.0977","","","","","","1.004","","","","has coordinates","259311","2020-11-29","02:52:54",""
"7241555","15.692","0.003","16.767","0.003","22.256","0.004","90","","96.41","0.009","90","","5819.1","1.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C128 H96 As4 O34 U4 -","- C128 H96 As4 O34 U4 -","- C256 H192 As8 O68 U8 -","2","0.5","","Andreev, Grigory; Budantseva, Nina; Levtsova, Anastasiya; Sokolova, Marina; Fedoseev, Aleksander","Formation of uranyl phthalate coordination polymers with unusual 2D net topologies in the presence of organic cations","CrystEngComm","2020","","","","","10.1039/D0CE01323D","","","0.71073","MoKα","","0.0942","0.0468","","","0.0793","0.092","","","","","","0.991","","","","has coordinates","259311","2020-11-29","02:52:54",""
"7241556","23.6243","0.0003","7.4222","0.0001","15.1901","0.0002","90","","99.038","0.001","90","","2630.43","0.06","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23 Cl F4 N4 O7 -","- C26 H23 Cl F4 N4 O7 -","- C104 H92 Cl4 F16 N16 O28 -","4","1","","Jia, Jun-Long; Dai, Xia-Lin; Che, Hao-Jie; Li, Meng-Ting; Zhuang, Xiao-Mei; Lu, Tong-Bu; Chen, Jia-Mei","Cocrystals of regorafenib with dicarboxylic acids: synthesis, characterization and property evaluation","CrystEngComm","2021","23","3","653","662","10.1039/D0CE01341B","","x-ray","1.54184","CuKα","","0.0481","0.0452","","","0.1197","0.1225","","","","","","1.045","","","","has coordinates,has disorder","261629","2021-02-04","23:04:42",""
"7241557","6.3151","0.0009","8.5815","0.0012","11.0306","0.0015","103.485","0.005","96.047","0.006","93.183","0.005","576.08","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","bis(1,3-diiodo-2,4,5,6-tetrafluorobenzene) 1,4-dimethylhexahydro-s-tetrazine cocrystal","","","- C8 H6 F4 I2 N2 -","- C8 H6 F4 I2 N2 -","- C16 H12 F8 I4 N4 -","2","1","","Peloquin, Andrew J.; Kobra, Khadijatul; McMillen, Colin D.; Iacono, Scott T.; Pennington, William T.","Isolation of hydrazine oxidation products via halogen bonding: C‒I bond scission and crystal polymorphism","CrystEngComm","2021","23","2","419","426","10.1039/D0CE01568G","","","0.71073","MoKα","","0.0219","0.0213","","","0.0519","0.0524","","","","","","1.101","","","","has coordinates","261615","2021-02-04","23:00:56",""
"7241558","9.9907","0.0005","21.4967","0.0012","11.4868","0.0007","90","","103.673","0.002","90","","2397.1","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","bis(1,3-diiodo-2,4,5,6-tetrafluorobenzene) tetramethylammonium iodide cocrystal","","","- C16 H12 F8 I5 N -","- C16 H12 F8 I5 N -","- C64 H48 F32 I20 N4 -","4","1","","Peloquin, Andrew J.; Kobra, Khadijatul; McMillen, Colin D.; Iacono, Scott T.; Pennington, William T.","Isolation of hydrazine oxidation products via halogen bonding: C‒I bond scission and crystal polymorphism","CrystEngComm","2021","23","2","419","426","10.1039/D0CE01568G","","","0.71073","MoKα","","0.0182","0.0168","","","0.0399","0.0409","","","","","","1.113","","","","has coordinates","261615","2021-02-04","23:00:56",""
"7241559","6.9406","0.0006","20.4866","0.0016","8.7114","0.0007","90","","100.802","0.002","90","","1216.72","0.17","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","bis(1,3-diiodo-2,4,5,6-tetrafluorobenzene) (tetramethylammonium iodide) cocrystal","","","- C16 H12 F8 I5 N -","- C16 H12 F8 I5 N -","- C32 H24 F16 I10 N2 -","2","0.5","","Peloquin, Andrew J.; Kobra, Khadijatul; McMillen, Colin D.; Iacono, Scott T.; Pennington, William T.","Isolation of hydrazine oxidation products via halogen bonding: C‒I bond scission and crystal polymorphism","CrystEngComm","2021","23","2","419","426","10.1039/D0CE01568G","","","0.71073","MoKα","","0.0311","0.0262","","","0.0525","0.0553","","","","","","1.105","","","","has coordinates,has disorder","261615","2021-02-04","23:00:56",""
"7241560","10.04","0.0006","20.5136","0.001","12.0201","0.0007","90","","103.127","0.002","90","","2410.9","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","bis(1,3-diiodo-2,4,5,6-tetrafluorobenzene) (tetramethylammonium iodide) cocrystal","","","- C16 H12 F8 I5 N -","- C16 H12 F8 I5 N -","- C64 H48 F32 I20 N4 -","4","1","","Peloquin, Andrew J.; Kobra, Khadijatul; McMillen, Colin D.; Iacono, Scott T.; Pennington, William T.","Isolation of hydrazine oxidation products via halogen bonding: C‒I bond scission and crystal polymorphism","CrystEngComm","2021","23","2","419","426","10.1039/D0CE01568G","","","0.71073","MoKα","","0.018","0.0154","","","0.0332","0.0347","","","","","","1.148","","","","has coordinates","261615","2021-02-04","23:00:56",""
"7241561","11.7588","0.001","14.0711","0.0014","24.608","0.003","90","","90","","90","","4071.6","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","tris(1,4-diiodo-2,3,5,6-tetrafluorobenzene) bis(tetramethylammonium iodide) cocrystal","","","- C26 H24 F12 I8 N2 -","- C26 H24 F12 I8 N2 -","- C104 H96 F48 I32 N8 -","4","1","","Peloquin, Andrew J.; Kobra, Khadijatul; McMillen, Colin D.; Iacono, Scott T.; Pennington, William T.","Isolation of hydrazine oxidation products via halogen bonding: C‒I bond scission and crystal polymorphism","CrystEngComm","2021","23","2","419","426","10.1039/D0CE01568G","","","0.71073","MoKα","","0.0367","0.034","","","0.08","0.0818","","","","","","1.037","","","","has coordinates","261615","2021-02-04","23:00:56",""
"7241562","8.6391","0.0007","8.8169","0.0008","9.5619","0.0008","81.638","0.003","69.762","0.003","63.334","0.003","610.64","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","bis(1,4-diiodo-2,3,5,6-tetrafluorobenzene) 1,4-dimethylhexahydro-s-tetrazine cocrystal","","","- C8 H6 F4 I2 N2 -","- C8 H6 F4 I2 N2 -","- C16 H12 F8 I4 N4 -","2","1","","Peloquin, Andrew J.; Kobra, Khadijatul; McMillen, Colin D.; Iacono, Scott T.; Pennington, William T.","Isolation of hydrazine oxidation products via halogen bonding: C‒I bond scission and crystal polymorphism","CrystEngComm","2021","23","2","419","426","10.1039/D0CE01568G","","","0.71073","MoKα","","0.0199","0.0196","","","0.0559","0.056","","","","","","1.307","","","","has coordinates","261615","2021-02-04","23:00:56",""
"7241563","7.334","0.0002","21.8848","0.0007","11.0627","0.0003","90","","98.85","0.001","90","","1754.46","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1,3,5-trifluoro-2,4,6-triiodobenzene tetramethylammonium iodide cocrystal","","","- C10 H12 F3 I4 N -","- C10 H12 F3 I4 N -","- C40 H48 F12 I16 N4 -","4","1","","Peloquin, Andrew J.; Kobra, Khadijatul; McMillen, Colin D.; Iacono, Scott T.; Pennington, William T.","Isolation of hydrazine oxidation products via halogen bonding: C‒I bond scission and crystal polymorphism","CrystEngComm","2021","23","2","419","426","10.1039/D0CE01568G","","","0.71073","MoKα","","0.0179","0.0166","","","0.038","0.0387","","","","","","1.114","","","","has coordinates","261615","2021-02-04","23:00:56",""
"7241564","22.6298","0.0011","6.9472","0.0003","7.9192","0.0004","90","","90","","90","","1245.01","0.1","150","2","150","2","","","","","","","","5","P m m n :2","-P 2ab 2a","59","bis(1,2-diiodo-3,4,5,6-tetrafluorobenzene) (tetramethylammonium iodide) cocrystal","","","- C16 H12 F8 I5 N -","- C16 H14 F8 I5 N -","- C32 H28 F16 I10 N2 -","2","0.25","","Peloquin, Andrew J.; Kobra, Khadijatul; McMillen, Colin D.; Iacono, Scott T.; Pennington, William T.","Isolation of hydrazine oxidation products via halogen bonding: C‒I bond scission and crystal polymorphism","CrystEngComm","2021","23","2","419","426","10.1039/D0CE01568G","","","0.71073","MoKα","","0.0337","0.0238","","","0.0382","0.0402","","","","","","1.057","","","","has coordinates","261615","2021-02-04","23:00:56",""
"7241565","21.6106","0.0013","7.3407","0.0005","11.3729","0.0007","90","","90","","90","","1804.2","0.2","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","(1,3,5-triiodo-2,4,6-trifluorobenzene) (tetramethylammonium iodide) cocrystal","","","- C10 H12 F3 I4 N -","- C10 H13 F3 I4 N -","- C40 H52 F12 I16 N4 -","4","0.5","","Peloquin, Andrew J.; Kobra, Khadijatul; McMillen, Colin D.; Iacono, Scott T.; Pennington, William T.","Isolation of hydrazine oxidation products via halogen bonding: C‒I bond scission and crystal polymorphism","CrystEngComm","2021","23","2","419","426","10.1039/D0CE01568G","","","0.71073","MoKα","","0.0211","0.0196","","","0.0467","0.0471","","","","","","1.281","","","","has coordinates","261615","2021-02-04","23:00:56",""
"7241566","7.5414","0.0014","22.618","0.004","9.2445","0.0018","90","","96.641","0.006","90","","1566.3","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1,2-diiodo-3,4,5,6-tetrafluorobenzene tetramethylammonium iodide cocrystal","","","- C10 H12 F4 I3 N -","- C10 H12 F4 I3 N -","- C40 H48 F16 I12 N4 -","4","1","","Peloquin, Andrew J.; Kobra, Khadijatul; McMillen, Colin D.; Iacono, Scott T.; Pennington, William T.","Isolation of hydrazine oxidation products via halogen bonding: C‒I bond scission and crystal polymorphism","CrystEngComm","2021","23","2","419","426","10.1039/D0CE01568G","","","0.71073","MoKα","","0.0229","0.019","","","0.0431","0.0454","","","","","","1.124","","","","has coordinates","261615","2021-02-04","23:00:56",""
"7241567","13.2794","0.0009","18.7657","0.0013","22.0251","0.0013","90","","112.835","0.003","90","","5058.4","0.6","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C8 H31 N7 Ni6 O45 P W9 -","- C8 N7 Ni6 O45 P W9 -","- C32 N28 Ni24 O180 P4 W36 -","4","1","","Sun, Jun-Jun; Wang, Yue-Lin; Yang, Guo-Yu","Two new hexa-Ni-substituted polyoxometalates in the form of an isolated cluster and 1-D chain: syntheses, structures, and properties","CrystEngComm","2020","","","","","10.1039/D0CE01446J","","","0.71073","MoKα","","0.0593","0.0463","","","0.1013","0.1055","","","","","","1.165","","","","has coordinates","259314","2020-11-29","02:56:22",""
"7241568","21.851","0.002","21.0544","0.0019","16.796","0.0015","90","","90","","90","","7727.2","1.2","293","2","293","2","","","","","","","","7","C m c 21","C 2c -2","36","","","","- C72 H114 N20 Ni12 O78 P2 W18 -","- C72 N20 Ni12 O78 P2 W18 -","- C144 N40 Ni24 O156 P4 W36 -","2","0.25","","Sun, Jun-Jun; Wang, Yue-Lin; Yang, Guo-Yu","Two new hexa-Ni-substituted polyoxometalates in the form of an isolated cluster and 1-D chain: syntheses, structures, and properties","CrystEngComm","2020","","","","","10.1039/D0CE01446J","","","0.71073","MoKα","","0.0378","0.0317","","","0.0842","0.0876","","","","","","0.993","","","","has coordinates","259314","2020-11-29","02:56:22",""
"7241569","9.6037","0.0004","9.8432","0.0004","10.2613","0.0004","68.903","0.001","83.98","0.001","68.045","0.001","838.87","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","hexamethylenetetramine hydrogen succinate succinic acid","","","- C14 H24 N4 O8 -","- C14 H24 N4 O8 -","- C28 H48 N8 O16 -","2","1","","Lombard, Jean; Smith, Vincent J.; le Roex, Tanya; Haynes, Delia A.","Crystallisation of organic salts by sublimation: salt formation from the gas phase","CrystEngComm","2020","22","45","7826","7831","10.1039/D0CE01470B","","","0.71073","MoKα","","0.0377","0.0329","","","0.0839","0.0874","","","","","","1.066","","","","has coordinates","259315","2020-11-29","02:57:27",""
"7241570","3.6795","0.0007","9.855","0.002","10.425","0.002","116.097","0.002","97.436","0.002","97.188","0.002","329.52","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","4,4-bipyridinium bis(hydrogen oxalate)","","","- C14 H12 N2 O8 -","- C14 H12 N2 O8 -","- C14 H12 N2 O8 -","1","0.5","","Lombard, Jean; Smith, Vincent J.; le Roex, Tanya; Haynes, Delia A.","Crystallisation of organic salts by sublimation: salt formation from the gas phase","CrystEngComm","2020","22","45","7826","7831","10.1039/D0CE01470B","","","0.71073","MoKα","","0.0395","0.036","","","0.0957","0.0994","","","","","","1.05","","","","has coordinates","259315","2020-11-29","02:57:27",""
"7241571","9.6812","0.0002","9.8923","0.0002","10.3777","0.0003","70.346","0.001","83.328","0.001","67.442","0.001","864.26","0.04","298","2","298","2","","","","","","","","4","P -1","-P 1","2","hexamethylenetetramine hydrogen succinate succinic acid","","","- C14 H24 N4 O8 -","- C14 H24 N4 O8 -","- C28 H48 N8 O16 -","2","1","","Lombard, Jean; Smith, Vincent J.; le Roex, Tanya; Haynes, Delia A.","Crystallisation of organic salts by sublimation: salt formation from the gas phase","CrystEngComm","2020","22","45","7826","7831","10.1039/D0CE01470B","","","0.71073","MoKα","","0.0743","0.0526","","","0.1219","0.1384","","","","","","1.013","","","","has coordinates","259315","2020-11-29","02:57:27",""
"7241572","3.7614","0.0003","9.8932","0.0007","10.4498","0.0007","116.121","0.001","96.721","0.001","98.409","0.001","338.11","0.04","298","2","298","2","","","","","","","","4","P -1","-P 1","2","4,4-bipyridinium bis(hydrogen oxalate)","","","- C14 H12 N2 O8 -","- C14 H12 N2 O8 -","- C14 H12 N2 O8 -","1","0.5","","Lombard, Jean; Smith, Vincent J.; le Roex, Tanya; Haynes, Delia A.","Crystallisation of organic salts by sublimation: salt formation from the gas phase","CrystEngComm","2020","22","45","7826","7831","10.1039/D0CE01470B","","","0.71073","MoKα","","0.0457","0.0409","","","0.1215","0.1264","","","","","","1.098","","","","has coordinates","259315","2020-11-29","02:57:27",""
"7241573","6.017","0.001","18.34","0.003","11.778","0.002","90","","99.387","0.003","90","","1282.3","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","hexamethylenetetramine succinic acid","","","- C10 H18 N4 O4 -","- C10 H18 N4 O4 -","- C40 H72 N16 O16 -","4","1","","Lombard, Jean; Smith, Vincent J.; le Roex, Tanya; Haynes, Delia A.","Crystallisation of organic salts by sublimation: salt formation from the gas phase","CrystEngComm","2020","22","45","7826","7831","10.1039/D0CE01470B","","","0.71073","MoKα","","0.0803","0.0695","","","0.1771","0.1862","","","","","","1.059","","","","has coordinates,has disorder","259315","2020-11-29","02:57:27",""
"7241574","21.847","0.001","6.9981","0.0004","26.359","0.002","90","","102.17","0.001","90","","3939.4","0.4","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","bis-hexamethylenetetramine succinic acid","","","- C16 H30 N8 O4 -","- C16 H30 N8 O4 -","- C128 H240 N64 O32 -","8","1","","Lombard, Jean; Smith, Vincent J.; le Roex, Tanya; Haynes, Delia A.","Crystallisation of organic salts by sublimation: salt formation from the gas phase","CrystEngComm","2020","22","45","7826","7831","10.1039/D0CE01470B","","","0.71073","MoKα","","0.073","0.0532","","","0.1627","0.1802","","","","","","1.057","","","","has coordinates,has disorder","259315","2020-11-29","02:57:28",""
"7241575","5.8215","0.0008","18.363","0.002","11.592","0.002","90","","100.266","0.002","90","","1219.3","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","hexamethylenetetramine succinic acid","","","- C10 H18 N4 O4 -","- C10 H18 N4 O4 -","- C40 H72 N16 O16 -","4","1","","Lombard, Jean; Smith, Vincent J.; le Roex, Tanya; Haynes, Delia A.","Crystallisation of organic salts by sublimation: salt formation from the gas phase","CrystEngComm","2020","22","45","7826","7831","10.1039/D0CE01470B","","","0.71073","MoKα","","0.0425","0.0375","","","0.1009","0.1057","","","","","","1.045","","","","has coordinates,has disorder","259315","2020-11-29","02:57:28",""
"7241576","8.74","0.001","9.849","0.001","13.663","0.002","73.285","0.002","72.292","0.002","72.343","0.002","1042.6","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","4,4-bipyridine oxalic acid","","","- C24 H20 N4 O8 -","- C24 H20 N4 O8 -","- C48 H40 N8 O16 -","2","1","","Lombard, Jean; Smith, Vincent J.; le Roex, Tanya; Haynes, Delia A.","Crystallisation of organic salts by sublimation: salt formation from the gas phase","CrystEngComm","2020","22","45","7826","7831","10.1039/D0CE01470B","","","0.71073","MoKα","","0.0663","0.0605","","","0.1713","0.1795","","","","","","1.052","","","","has coordinates","259315","2020-11-29","02:57:28",""
"7241577","8.7731","0.0005","9.8652","0.0005","13.9929","0.0007","73.741","0.002","72.89","0.002","72.483","0.002","1079.17","0.1","298","2","298","2","","","","","","","","4","P -1","-P 1","2","4,4-bipyridine oxalic acid","","","- C24 H20 N4 O8 -","- C24 H20 N4 O8 -","- C48 H40 N8 O16 -","2","1","","Lombard, Jean; Smith, Vincent J.; le Roex, Tanya; Haynes, Delia A.","Crystallisation of organic salts by sublimation: salt formation from the gas phase","CrystEngComm","2020","22","45","7826","7831","10.1039/D0CE01470B","","","0.71073","MoKα","","0.1641","0.0936","","","0.237","0.293","","","","","","1.018","","","","has coordinates","259315","2020-11-29","02:57:28",""
"7241578","21.654","0.003","6.948","0.001","25.748","0.004","90","","101.148","0.002","90","","3800.7","1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","bis-hexamethylenetetramine succinic acid","","","- C16 H30 N8 O4 -","- C16 H30 N8 O4 -","- C128 H240 N64 O32 -","8","1","","Lombard, Jean; Smith, Vincent J.; le Roex, Tanya; Haynes, Delia A.","Crystallisation of organic salts by sublimation: salt formation from the gas phase","CrystEngComm","2020","22","45","7826","7831","10.1039/D0CE01470B","","","0.71073","MoKα","","0.0491","0.0444","","","0.1225","0.1267","","","","","","1.067","","","","has coordinates,has disorder","259315","2020-11-29","02:57:28",""
"7241579","10.4053","0.0002","32.028","0.0006","10.37836","0.00018","90","","93.2313","0.0018","90","","3453.2","0.11","136","1","136","1","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C45 H30 N4 -","- C45 H30 N4 -","- C180 H120 N16 -","4","1","","Han, Yanning; Zhang, Tong; Chen, Xinyu; Chen, Qiao; Xue, Pengchong","Spacer group-controlled luminescence and response of C3-symmetric triphenylamine derivatives towards force stimuli","CrystEngComm","2021","23","1","202","209","10.1039/D0CE01539C","","x-ray","1.54184","CuKα","","0.0688","0.0634","","","0.169","0.1778","","","","","","1.065","","","","has coordinates","261593","2021-02-04","22:56:43",""
"7241580","4.472","0.0002","15.3544","0.0005","13.1342","0.0004","90","","97.953","0.002","90","","893.18","0.06","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H10 N4 O3 -","- C7 H10 N4 O3 -","- C28 H40 N16 O12 -","4","1","","Majodina, Siphumelele; Ndima, Lubabalo; Abosede, Olufunso O.; Hosten, Eric C.; Lorentino, Carolline M. A.; Frota, Heloísa F.; Sangenito, Leandro S.; Branquinha, Marta H.; Santos, André L. S.; Ogunlaja, Adeniyi S.","Physical stability enhancement and antimicrobial properties of a sodium ionic cocrystal with theophylline","CrystEngComm","2021","23","2","335","352","10.1039/D0CE01387K","","","0.71073","MoKα","","0.0533","0.0476","","","0.1183","0.1213","","","","","","1.173","","","","has coordinates","261617","2021-02-04","23:01:31",""
"7241581","20.7314","0.0007","9.6579","0.0003","10.6217","0.0004","90","","92.531","0.002","90","","2124.62","0.13","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H20 Cl N8 Na O10 -","- C14 H20 Cl N8 Na O10 -","- C56 H80 Cl4 N32 Na4 O40 -","4","0.5","","Majodina, Siphumelele; Ndima, Lubabalo; Abosede, Olufunso O.; Hosten, Eric C.; Lorentino, Carolline M. A.; Frota, Heloísa F.; Sangenito, Leandro S.; Branquinha, Marta H.; Santos, André L. S.; Ogunlaja, Adeniyi S.","Physical stability enhancement and antimicrobial properties of a sodium ionic cocrystal with theophylline","CrystEngComm","2021","23","2","335","352","10.1039/D0CE01387K","","","0.71073","MoKα","","0.0379","0.0325","","","0.0908","0.0951","","","","","","1.044","","","","has coordinates,has disorder","261617","2021-02-04","23:01:35",""
"7241582","9.3613","0.0004","7.0465","0.0003","14.5134","0.0007","90","","103.023","0.002","90","","932.74","0.07","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H20 N6 O4 -","- C19 H20 N6 O4 -","- C38 H40 N12 O8 -","2","1","","Majodina, Siphumelele; Ndima, Lubabalo; Abosede, Olufunso O.; Hosten, Eric C.; Lorentino, Carolline M. A.; Frota, Heloísa F.; Sangenito, Leandro S.; Branquinha, Marta H.; Santos, André L. S.; Ogunlaja, Adeniyi S.","Physical stability enhancement and antimicrobial properties of a sodium ionic cocrystal with theophylline","CrystEngComm","2021","23","2","335","352","10.1039/D0CE01387K","","","0.71073","MoKα","","0.0539","0.0374","","","0.0812","0.087","","","","","","1.022","","","","has coordinates","261617","2021-02-04","23:01:45",""
"7241583","9.2408","0.0012","9.508","0.0013","12.6724","0.0018","90","","91.446","0.002","90","","1113.1","0.3","296","2","296.15","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C20 H22 N4 O5 Zn -","- C20 H22 N4 O5 Zn -","- C40 H44 N8 O10 Zn2 -","2","0.5","","Wang, Jun; Rao, Congying; Lu, Lu; Zhang, Shile; Muddassir, Mohd; Liu, Jianqiang","Efficient photocatalytic degradation of methyl violet using two new 3D MOFs directed by different carboxylate spacers","CrystEngComm","2021","23","3","741","747","10.1039/D0CE01632B","","","0.71073","MoKα","","0.0764","0.0475","","","0.1183","0.1324","","","","","","1.033","","","","has coordinates,has disorder","261633","2021-02-04","23:05:09",""
"7241584","14.2908","0.0005","15.7878","0.0005","18.8266","0.0007","97.294","0.003","92.079","0.003","109.017","0.003","3969.7","0.3","200","0.1","200","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C75 H69 Cd3 N7 O15 -","- C75 H69 Cd3 N7 O15 -","- C150 H138 Cd6 N14 O30 -","2","1","","Wang, Jun; Rao, Congying; Lu, Lu; Zhang, Shile; Muddassir, Mohd; Liu, Jianqiang","Efficient photocatalytic degradation of methyl violet using two new 3D MOFs directed by different carboxylate spacers","CrystEngComm","2021","23","3","741","747","10.1039/D0CE01632B","","x-ray","1.54184","CuKα","","0.1034","0.0793","","","0.2047","0.232","","","","","","0.983","","","","has coordinates,has disorder","261633","2021-02-04","23:05:09",""
"7241585","13.1882","0.0004","14.8316","0.0007","17.8325","0.0007","90.537","0.003","104.715","0.003","109.659","0.003","3159.8","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H43 Mo12 N8 O44 P -","- C36 H43 Mo12 N8 O44 P -","- C72 H86 Mo24 N16 O88 P2 -","2","1","","Ji, Ning-Ning; Shi, Zhi-Qiang; Xie, Xiao-Xin; Li, Gang","Polyoxometalate-based hydrogen-bonded organic frameworks as a new class of proton conducting materials","CrystEngComm","2020","","","","","10.1039/D0CE01578D","","x-ray","1.54184","CuKα","","0.0633","0.0485","","","0.1173","0.1296","","","","","","1.038","","","","has coordinates","259319","2020-11-29","03:00:29",""
"7241586","6.6967","0.0002","5.7405","0.0002","20.7844","0.0007","90","","94.953","0.003","90","","796.02","0.05","107","","107","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C9 H8 O4 -","- C9 H8 O4 -","- C36 H32 O16 -","4","1","","Wang, Zhihan; Flores, Quinton; Guo, Hongye; Trevizo, Raquel; Zhang, Xiaochan; Wang, Shihan","Crystal engineering construction of caffeic acid derivatives with potential applications in pharmaceuticals and degradable polymeric materials","CrystEngComm","2020","22","45","7847","7857","10.1039/D0CE01403F","","","1.54178","CuKα","","0.0394","0.0331","","","0.0866","0.0906","","","","","","1.041","","","","has coordinates","259320","2020-11-29","03:01:06",""
"7241587","7.2043","0.0003","11.578","0.0004","11.3815","0.0004","90","","105.771","0.003","90","","913.61","0.06","107.24","","107.24","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 O4 -","- C10 H10 O4 -","- C40 H40 O16 -","4","1","","Wang, Zhihan; Flores, Quinton; Guo, Hongye; Trevizo, Raquel; Zhang, Xiaochan; Wang, Shihan","Crystal engineering construction of caffeic acid derivatives with potential applications in pharmaceuticals and degradable polymeric materials","CrystEngComm","2020","22","45","7847","7857","10.1039/D0CE01403F","","","1.54178","CuKα","","0.0564","0.0459","","","0.1251","0.1311","","","","","","1.116","","","","has coordinates","259320","2020-11-29","03:01:07",""
"7241588","5.3882","0.0001","8.4135","0.0002","14.8002","0.0004","77.6","0.002","80.086","0.002","88.273","0.002","645.49","0.03","100","0.13","100","0.13","","","","","","","","3","P -1","-P 1","2","CBDA10coEA","","","- C26 H32 O12 -","- C26 H32 O12 -","- C26 H32 O12 -","1","0.5","","Wang, Zhihan; Flores, Quinton; Guo, Hongye; Trevizo, Raquel; Zhang, Xiaochan; Wang, Shihan","Crystal engineering construction of caffeic acid derivatives with potential applications in pharmaceuticals and degradable polymeric materials","CrystEngComm","2020","22","45","7847","7857","10.1039/D0CE01403F","","x-ray","1.54184","CuKα","","0.0383","0.0357","","","0.0954","0.0982","","","","","","1.091","","","","has coordinates","259320","2020-11-29","03:01:07",""
"7241589","8.841","0.003","10.807","0.003","9.978","0.003","90","","112.64","0.02","90","","879.9","0.5","107.02","","107.02","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","CBDE-10","","","- C20 H20 O8 -","- C20 H20 O8 -","- C40 H40 O16 -","2","0.5","","Wang, Zhihan; Flores, Quinton; Guo, Hongye; Trevizo, Raquel; Zhang, Xiaochan; Wang, Shihan","Crystal engineering construction of caffeic acid derivatives with potential applications in pharmaceuticals and degradable polymeric materials","CrystEngComm","2020","22","45","7847","7857","10.1039/D0CE01403F","","","1.54178","CuKα","","0.1418","0.0919","","","0.2103","0.2311","","","","","","1.089","","","","has coordinates","259320","2020-11-29","03:01:07",""
"7241590","5.2267","0.0002","28.5292","0.0012","10.3735","0.0005","90","","93.071","0.003","90","","1544.61","0.12","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 N2 O3 -","- C19 H16 N2 O3 -","- C76 H64 N8 O12 -","4","1","","Craddock, Drew E.; Parks, McKenzie J.; Taylor, Lauren A.; Wagner, Benjamin L.; Ruf, Michael; Wheeler, Kraig A.","Increasing the structural boundary of quasiracemate formation: 4-substituted naphthylamides","CrystEngComm","2021","23","1","210","215","10.1039/D0CE01331E","","","1.54178","CuKα","","0.0667","0.051","","","0.1176","0.1254","","","","","","1.045","","","","has coordinates","261589","2021-02-04","22:55:57",""
"7241591","9.8518","0.0004","10.2278","0.0004","15.3791","0.0004","76.292","0.002","88.604","0.002","72.362","0.001","1432.83","0.09","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C38 H33 F N2 O2 -","- C38 H33 F N2 O2 -","- C76 H66 F2 N4 O4 -","2","2","","Craddock, Drew E.; Parks, McKenzie J.; Taylor, Lauren A.; Wagner, Benjamin L.; Ruf, Michael; Wheeler, Kraig A.","Increasing the structural boundary of quasiracemate formation: 4-substituted naphthylamides","CrystEngComm","2021","23","1","210","215","10.1039/D0CE01331E","","","1.54178","CuKα","","0.0325","0.0315","","","0.087","0.0879","","","","","","1.073","","","","has coordinates","261589","2021-02-04","22:56:00",""
"7241592","9.8905","0.0005","10.1651","0.0004","16.7066","0.0007","104.665","0.002","94.546","0.002","106.011","0.002","1541.69","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H16 Br N O -","- C19 H16 Br N O -","- C76 H64 Br4 N4 O4 -","4","2","","Craddock, Drew E.; Parks, McKenzie J.; Taylor, Lauren A.; Wagner, Benjamin L.; Ruf, Michael; Wheeler, Kraig A.","Increasing the structural boundary of quasiracemate formation: 4-substituted naphthylamides","CrystEngComm","2021","23","1","210","215","10.1039/D0CE01331E","","x-ray","0.71073","MoKα","","0.0522","0.0379","","","0.09","0.0986","","","","","","1.022","","","","has coordinates","261589","2021-02-04","22:56:09",""
"7241593","9.8313","0.0003","10.266","0.0003","15.7098","0.0005","101.103","0.001","92.295","0.001","106.83","0.001","1481.47","0.08","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C38 H33 N3 O4 -","- C38 H33 N3 O4 -","- C76 H66 N6 O8 -","2","2","","Craddock, Drew E.; Parks, McKenzie J.; Taylor, Lauren A.; Wagner, Benjamin L.; Ruf, Michael; Wheeler, Kraig A.","Increasing the structural boundary of quasiracemate formation: 4-substituted naphthylamides","CrystEngComm","2021","23","1","210","215","10.1039/D0CE01331E","","","1.54178","CuKα","","0.053","0.0471","","","0.1343","0.1403","","","","","","1.085","","","","has coordinates,has disorder","261589","2021-02-04","22:56:09",""
"7241594","9.9188","0.0006","10.2275","0.0006","15.9392","0.0009","102.789","0.002","93.699","0.002","106.801","0.002","1495.16","0.15","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C38 H32 Br F N2 O2 -","- C38 H32 Br F N2 O2 -","- C76 H64 Br2 F2 N4 O4 -","2","2","","Craddock, Drew E.; Parks, McKenzie J.; Taylor, Lauren A.; Wagner, Benjamin L.; Ruf, Michael; Wheeler, Kraig A.","Increasing the structural boundary of quasiracemate formation: 4-substituted naphthylamides","CrystEngComm","2021","23","1","210","215","10.1039/D0CE01331E","","x-ray","1.54178","CuKα","","0.0228","0.0222","","","0.0571","0.0576","","","","","","1.039","","","","has coordinates,has disorder","261589","2021-02-04","22:56:09",""
"7241595","9.9304","0.0009","10.2239","0.0009","15.3905","0.0014","74.356","0.008","86.699","0.008","72.907","0.008","1437.8","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H16 F N O -","- C19 H16 F N O -","- C76 H64 F4 N4 O4 -","4","2","","Craddock, Drew E.; Parks, McKenzie J.; Taylor, Lauren A.; Wagner, Benjamin L.; Ruf, Michael; Wheeler, Kraig A.","Increasing the structural boundary of quasiracemate formation: 4-substituted naphthylamides","CrystEngComm","2021","23","1","210","215","10.1039/D0CE01331E","","x-ray","0.71073","MoKα","","0.0864","0.0562","","","0.1122","0.1271","","","","","","1.041","","","","has coordinates","261589","2021-02-04","22:56:09",""
"7241596","10.2165","0.0005","30.0352","0.0015","57.342","0.003","89.578","0.003","87.451","0.002","80.285","0.002","17326.2","1.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H17 N O -","- C19 H17 N O -","- C912 H816 N48 O48 -","48","24","","Craddock, Drew E.; Parks, McKenzie J.; Taylor, Lauren A.; Wagner, Benjamin L.; Ruf, Michael; Wheeler, Kraig A.","Increasing the structural boundary of quasiracemate formation: 4-substituted naphthylamides","CrystEngComm","2021","23","1","210","215","10.1039/D0CE01331E","","x-ray","1.54178","CuKα","","0.1744","0.1222","","","0.3672","0.4119","","","","","","1.416","","","","has coordinates,has disorder","261589","2021-02-04","22:56:09",""
"7241597","5.896","0.0012","8.913","0.0018","36.162","0.007","90","","90","","90","","1900.4","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 F N3 -","- C23 H22 F N3 -","- C92 H88 F4 N12 -","4","1","","Guo, Shengmei; Zhang, Yuyang; Huang, Jianyan; Kong, Lin; Yang, Jiaxiang","High dual-state blue emission of a functionalized pyrazoline derivative for picric acid detection","CrystEngComm","2021","23","1","221","226","10.1039/D0CE01195A","","","0.71073","MoKα","","0.0759","0.0552","","","0.1056","0.1131","","","","","","1.124","","","","has coordinates","261591","2021-02-04","22:56:28",""
"7241598","10.1575","0.001","30.064","0.003","13.2675","0.0009","90","","130.775","0.005","90","","3068.2","0.5","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H31 Cd N5 O5 -","- C33 H31 Cd N5 O5 -","- C132 H124 Cd4 N20 O20 -","4","1","","Chen, Zhen; Guo, Jingyu; Han, Shujuan; Zeng, Hao; Yang, Zhihua; Pan, Shilie","AB11O16(OH)2 (A = K and Cs): interpenetrating 2D layers with large birefringence","CrystEngComm","2021","23","1","35","39","10.1039/D0CE01569E","","","0.71073","MoKα","","0.0636","0.0533","","","0.1207","0.1268","","","","","","1.129","","","","has coordinates","261595","2021-02-04","22:57:03",""
"7241599","14.6265","0.0007","12.7279","0.0006","7.7874","0.0005","90","","97.902","0.005","90","","1435.97","0.13","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C19 H13 N5 -","- C19 H13 N5 -","- C76 H52 N20 -","4","0.5","","Chen, Zhen; Guo, Jingyu; Han, Shujuan; Zeng, Hao; Yang, Zhihua; Pan, Shilie","AB11O16(OH)2 (A = K and Cs): interpenetrating 2D layers with large birefringence","CrystEngComm","2021","23","1","35","39","10.1039/D0CE01569E","","","0.71073","MoKα","","0.0505","0.0414","","","0.1138","0.141","","","","","","1.147","","","","has coordinates","261595","2021-02-04","22:57:07",""
"7241600","10.792","0.0004","18.8461","0.0008","13.1548","0.0005","90","","97.925","0.001","90","","2649.96","0.18","296","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 N4 O7 Zn -","- C28 H22 N4 O7 Zn -","- C112 H88 N16 O28 Zn4 -","4","1","","Liu, Guocheng; Han, Shengwei; Gao, Yue; Xu, Na; Wang, Xiuli; Chen, Baokuan","Multifunctional fluorescence responses of phenyl-amide-bridged d10 coordination polymers structurally regulated by dicarboxylates and metal ions","CrystEngComm","2020","22","45","7952","7961","10.1039/D0CE01351J","","","0.71073","MoKα","","0.052","0.0342","","","0.0923","0.101","","","","","","1.021","","","","has coordinates","259325","2020-11-29","03:05:09",""
"7241601","29.2681","0.001","10.0831","0.0003","22.0305","0.0008","90","","129.908","0.001","90","","4987.1","0.3","296","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H22 N4 O6 Zn -","- C28 H22 N4 O6 Zn -","- C224 H176 N32 O48 Zn8 -","8","1","","Liu, Guocheng; Han, Shengwei; Gao, Yue; Xu, Na; Wang, Xiuli; Chen, Baokuan","Multifunctional fluorescence responses of phenyl-amide-bridged d10 coordination polymers structurally regulated by dicarboxylates and metal ions","CrystEngComm","2020","22","45","7952","7961","10.1039/D0CE01351J","","","0.71073","MoKα","","0.0459","0.0343","","","0.093","0.1014","","","","","","1.005","","","","has coordinates","259325","2020-11-29","03:05:10",""
"7241602","7.482","0.0003","8.3416","0.0004","14.5588","0.0006","78.944","0.001","87.671","0.001","76.222","0.001","866.11","0.07","296","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H15 Cd N2 O6 -","- C18 H15 Cd N2 O6 -","- C36 H30 Cd2 N4 O12 -","2","1","","Liu, Guocheng; Han, Shengwei; Gao, Yue; Xu, Na; Wang, Xiuli; Chen, Baokuan","Multifunctional fluorescence responses of phenyl-amide-bridged d10 coordination polymers structurally regulated by dicarboxylates and metal ions","CrystEngComm","2020","22","45","7952","7961","10.1039/D0CE01351J","","","0.71073","MoKα","","0.0213","0.0195","","","0.0507","0.0521","","","","","","1.025","","","","has coordinates","259325","2020-11-29","03:05:10",""
"7241603","9.6024","0.0008","11.8975","0.0011","13.2665","0.0012","113.334","0.002","103.141","0.002","102.592","0.002","1272.3","0.2","296","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H24 N4 O7 Zn -","- C28 H23 N4 O7 Zn -","- C56 H46 N8 O14 Zn2 -","2","1","","Liu, Guocheng; Han, Shengwei; Gao, Yue; Xu, Na; Wang, Xiuli; Chen, Baokuan","Multifunctional fluorescence responses of phenyl-amide-bridged d10 coordination polymers structurally regulated by dicarboxylates and metal ions","CrystEngComm","2020","22","45","7952","7961","10.1039/D0CE01351J","","","0.71073","MoKα","","0.0689","0.0442","","","0.0939","0.1035","","","","","","1.006","","","","has coordinates","259325","2020-11-29","03:05:10",""
"7241604","12.7125","0.0006","8.0135","0.0003","12.9098","0.0006","90","","91.92","0.002","90","","1314.4","0.1","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","colchicine","","- C28 H31 N O9 S -","- C28 H31 N O9 S -","- C56 H62 N2 O18 S2 -","2","1","","Ma, Xiaoyu; Zhu, Bingqing; Yang, Zeen; Jiang, Yuhang; Mei, Xuefeng","Stabilizing photo-sensitive colchicine through rebalancing electron distribution of the reactive tropolone ring","CrystEngComm","2021","23","1","30","34","10.1039/D0CE01551B","","","0.71073","MoKα","","0.0524","0.0406","","","0.0911","0.1","","","","","","1.08","","","","has coordinates","261584","2021-02-04","22:53:16",""
"7241605","9.2402","0.0004","31.6946","0.0017","6.4645","0.0003","90","","101.052","0.002","90","","1858.11","0.15","180","","180","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C20 H22 O6 S -","- C20 H22 O6 S -","- C80 H88 O24 S4 -","4","1","","Ma, Xiaoyu; Zhu, Bingqing; Yang, Zeen; Jiang, Yuhang; Mei, Xuefeng","Stabilizing photo-sensitive colchicine through rebalancing electron distribution of the reactive tropolone ring","CrystEngComm","2021","23","1","30","34","10.1039/D0CE01551B","","","0.71073","MoKα","","0.04","0.0345","","","0.069","0.0713","","","","","","1.066","","","","has coordinates","261584","2021-02-04","22:53:22",""
"7241606","7.825","0.002","16.685","0.005","21.993","0.006","90","","90","","90","","2871.4","1.4","220","","220","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","colchicine","","- C32 H33 N O9 S -","- C32 H33 N O9 S -","- C128 H132 N4 O36 S4 -","4","1","","Ma, Xiaoyu; Zhu, Bingqing; Yang, Zeen; Jiang, Yuhang; Mei, Xuefeng","Stabilizing photo-sensitive colchicine through rebalancing electron distribution of the reactive tropolone ring","CrystEngComm","2021","23","1","30","34","10.1039/D0CE01551B","","","0.71073","MoKα","","0.1094","0.0524","","","0.0944","0.116","","","","","","1.015","","","","has coordinates","261584","2021-02-04","22:54:02",""
"7241607","12.858","0.003","8.1256","0.0019","13.356","0.003","90","","91.313","0.007","90","","1395.1","0.6","220","","220","","","","","","","","","5","P 1 21 1","P 2yb","4","colchicine","Colchicine-AII2","","- C29 H33 N O9 S -","- C29 H33 N O9 S -","- C58 H66 N2 O18 S2 -","2","1","","Ma, Xiaoyu; Zhu, Bingqing; Yang, Zeen; Jiang, Yuhang; Mei, Xuefeng","Stabilizing photo-sensitive colchicine through rebalancing electron distribution of the reactive tropolone ring","CrystEngComm","2021","23","1","30","34","10.1039/D0CE01551B","","","0.71073","MoKα","","0.1155","0.0542","","","0.097","0.1199","","","","","","0.937","","","","has coordinates","261584","2021-02-04","22:54:05",""
"7241608","6.6868","0.0002","31.6978","0.0011","7.7242","0.0003","90","","93.655","0.001","90","","1633.87","0.1","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 O5 S -","- C17 H20 O5 S -","- C68 H80 O20 S4 -","4","1","","Ma, Xiaoyu; Zhu, Bingqing; Yang, Zeen; Jiang, Yuhang; Mei, Xuefeng","Stabilizing photo-sensitive colchicine through rebalancing electron distribution of the reactive tropolone ring","CrystEngComm","2021","23","1","30","34","10.1039/D0CE01551B","","","0.71073","MoKα","","0.0688","0.0446","","","0.0989","0.114","","","","","","1.06","","","","has coordinates","261584","2021-02-04","22:54:07",""
"7241609","6.8451","0.0003","9.0199","0.0004","12.2623","0.0006","81.489","0.002","78.81","0.002","70.464","0.001","697.12","0.06","150","","150","","","","","","","","","4","P -1","-P 1","2","","hinokitiol","","- C30 H32 O10 S2 -","- C30 H32 O10 S2 -","- C30 H32 O10 S2 -","1","0.5","","Ma, Xiaoyu; Zhu, Bingqing; Yang, Zeen; Jiang, Yuhang; Mei, Xuefeng","Stabilizing photo-sensitive colchicine through rebalancing electron distribution of the reactive tropolone ring","CrystEngComm","2021","23","1","30","34","10.1039/D0CE01551B","","","0.71073","MoKα","","0.0842","0.0507","","","0.1121","0.1358","","","","","","1.034","","","","has coordinates","261584","2021-02-04","22:54:09",""
"7241610","6.988","0.0002","30.2686","0.0008","6.251","0.0002","90","","90","","90","","1322.19","0.07","173","","173","","","","","","","","","4","P n a 21","P 2c -2n","33","","tropolone","","- C14 H14 O5 S -","- C14 H14 O5 S -","- C56 H56 O20 S4 -","4","1","","Ma, Xiaoyu; Zhu, Bingqing; Yang, Zeen; Jiang, Yuhang; Mei, Xuefeng","Stabilizing photo-sensitive colchicine through rebalancing electron distribution of the reactive tropolone ring","CrystEngComm","2021","23","1","30","34","10.1039/D0CE01551B","","","0.71073","MoKα","","0.0446","0.0413","","","0.0953","0.0975","","","","","","1.041","","","","has coordinates","261584","2021-02-04","22:54:09",""
"7241611","7.0583","0.0002","8.1581","0.0003","10.068","0.0003","102.65","0.001","104.172","0.001","90.598","0.001","547.19","0.03","150","","150","","","","","","","","","4","P -1","-P 1","2","","tropolone","","- C24 H20 O10 S2 -","- C24 H20 O10 S2 -","- C24 H20 O10 S2 -","1","0.5","","Ma, Xiaoyu; Zhu, Bingqing; Yang, Zeen; Jiang, Yuhang; Mei, Xuefeng","Stabilizing photo-sensitive colchicine through rebalancing electron distribution of the reactive tropolone ring","CrystEngComm","2021","23","1","30","34","10.1039/D0CE01551B","","","0.71073","MoKα","","0.0371","0.033","","","0.0782","0.0815","","","","","","1.081","","","","has coordinates","261584","2021-02-04","22:54:09",""
"7241612","9.5417","0.0004","10.8327","0.0003","12.7884","0.0005","90","","101.427","0.001","90","","1295.64","0.08","170","2","170","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 O4 S -","- C14 H14 O4 S -","- C56 H56 O16 S4 -","4","1","","Ma, Xiaoyu; Zhu, Bingqing; Yang, Zeen; Jiang, Yuhang; Mei, Xuefeng","Stabilizing photo-sensitive colchicine through rebalancing electron distribution of the reactive tropolone ring","CrystEngComm","2021","23","1","30","34","10.1039/D0CE01551B","","","0.71073","MoKα","","0.0506","0.0371","","","0.089","0.0982","","","","","","1.047","","","","has coordinates","261584","2021-02-04","22:54:09",""
"7241613","13.829","0.004","10.484","0.004","15.998","0.005","90","","110.885","0.006","90","","2167","1.2","205","","205","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C44 H56 N2 O15 -","- C44 H56 N2 O15 -","- C88 H112 N4 O30 -","2","1","","Ma, Xiaoyu; Zhu, Bingqing; Yang, Zeen; Jiang, Yuhang; Mei, Xuefeng","Stabilizing photo-sensitive colchicine through rebalancing electron distribution of the reactive tropolone ring","CrystEngComm","2021","23","1","30","34","10.1039/D0CE01551B","","","0.71073","MoKα","","0.1701","0.076","","","0.1676","0.2126","","","","","","0.958","","","","has coordinates","261584","2021-02-04","22:54:09",""
"7241614","15.4803","0.0005","12.7831","0.0004","12.1312","0.0005","90","","91.739","0.001","90","","2399.49","0.15","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","tropone","","- C24 H24 O10 S2 -","- C24 H24 O10 S2 -","- C96 H96 O40 S8 -","4","1","","Ma, Xiaoyu; Zhu, Bingqing; Yang, Zeen; Jiang, Yuhang; Mei, Xuefeng","Stabilizing photo-sensitive colchicine through rebalancing electron distribution of the reactive tropolone ring","CrystEngComm","2021","23","1","30","34","10.1039/D0CE01551B","","","0.71073","MoKα","","0.0623","0.0448","","","0.0987","0.1096","","","","","","1.027","","","","has coordinates","261584","2021-02-04","22:54:09",""
"7241615","6.7177","0.0011","16.233","0.003","14.53","0.003","90","","98.666","0.005","90","","1566.4","0.5","170","","170","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","tropone","","- C17 H16 O5 S -","- C17 H16 O5 S -","- C68 H64 O20 S4 -","4","1","","Ma, Xiaoyu; Zhu, Bingqing; Yang, Zeen; Jiang, Yuhang; Mei, Xuefeng","Stabilizing photo-sensitive colchicine through rebalancing electron distribution of the reactive tropolone ring","CrystEngComm","2021","23","1","30","34","10.1039/D0CE01551B","","","0.71073","MoKα","","0.1204","0.0688","","","0.1283","0.149","","","","","","1.047","","","","has coordinates,has disorder","261584","2021-02-04","22:54:09",""
"7241616","6.7888","0.0004","20.096","0.0012","13.5491","0.0008","90","","102.749","0.002","90","","1802.9","0.19","170","2","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","tropolone","","- C17 H20 O8 S -","- C17 H20 O8 S -","- C68 H80 O32 S4 -","4","1","","Ma, Xiaoyu; Zhu, Bingqing; Yang, Zeen; Jiang, Yuhang; Mei, Xuefeng","Stabilizing photo-sensitive colchicine through rebalancing electron distribution of the reactive tropolone ring","CrystEngComm","2021","23","1","30","34","10.1039/D0CE01551B","","","0.71073","MoKα","","0.1","0.072","","","0.1395","0.1493","","","","","","1.159","","","","has coordinates,has disorder","261584","2021-02-04","22:54:09",""
"7241617","7.0962","0.0014","9.651","0.0019","11.031","0.002","80.82","0.03","77.59","0.03","88.31","0.03","728.4","0.3","293","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H16 Cl N O7 -","- C12 H16 Cl N O7 -","- C24 H32 Cl2 N2 O14 -","2","1","","Malapile, Ramokone Junia; Nyamayaro, Kudzanai; Nassimbeni, Luigi R.; Báthori, Nikoletta B.","Multicomponent crystals of baclofen with acids and bases—conformational flexibility and synthon versatility","CrystEngComm","2021","23","1","91","99","10.1039/D0CE01522A","","","0.71073","MoKα","","0.0774","0.0507","","","0.1222","0.1378","","","","","","1.057","","","","has coordinates","261598","2021-02-04","22:57:40",""
"7241618","6.9834","0.0014","7.8322","0.0016","16.383","0.003","79.08","0.03","86.83","0.03","83.81","0.03","874.2","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 Cl N O5 -","- C18 H20 Cl N O5 -","- C36 H40 Cl2 N2 O10 -","2","1","","Malapile, Ramokone Junia; Nyamayaro, Kudzanai; Nassimbeni, Luigi R.; Báthori, Nikoletta B.","Multicomponent crystals of baclofen with acids and bases—conformational flexibility and synthon versatility","CrystEngComm","2021","23","1","91","99","10.1039/D0CE01522A","","","0.71073","MoKα","","0.0576","0.0413","","","0.1011","0.1089","","","","","","1.038","","","","has coordinates","261598","2021-02-04","22:57:40",""
"7241619","7.4548","0.0015","13.856","0.003","14.684","0.003","81.27","0.03","81.44","0.03","80.5","0.03","1466.7","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H26 Cl5 N O9 -","- C26 H26 Cl5 N O9 -","- C52 H52 Cl10 N2 O18 -","2","1","","Malapile, Ramokone Junia; Nyamayaro, Kudzanai; Nassimbeni, Luigi R.; Báthori, Nikoletta B.","Multicomponent crystals of baclofen with acids and bases—conformational flexibility and synthon versatility","CrystEngComm","2021","23","1","91","99","10.1039/D0CE01522A","","","0.71073","MoKα","","0.0621","0.0374","","","0.0806","0.0906","","","","","","1.023","","","","has coordinates","261598","2021-02-04","22:57:40",""
"7241620","5.9469","0.0012","12.127","0.002","20.466","0.004","101.74","0.03","92","0.03","101.56","0.03","1411.4","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H35 Cl2 N3 O5 -","- C27 H35 Cl2 N3 O5 -","- C54 H70 Cl4 N6 O10 -","2","1","","Malapile, Ramokone Junia; Nyamayaro, Kudzanai; Nassimbeni, Luigi R.; Báthori, Nikoletta B.","Multicomponent crystals of baclofen with acids and bases—conformational flexibility and synthon versatility","CrystEngComm","2021","23","1","91","99","10.1039/D0CE01522A","","","0.71073","MoKα","","0.0582","0.039","","","0.0887","0.098","","","","","","1.033","","","","has coordinates","261598","2021-02-04","22:57:40",""
"7241621","14.01","0.003","17.797","0.004","7.0663","0.0014","90","","91.43","0.03","90","","1761.3","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 Cl N O6 -","- C17 H20 Cl N O6 -","- C68 H80 Cl4 N4 O24 -","4","1","","Malapile, Ramokone Junia; Nyamayaro, Kudzanai; Nassimbeni, Luigi R.; Báthori, Nikoletta B.","Multicomponent crystals of baclofen with acids and bases—conformational flexibility and synthon versatility","CrystEngComm","2021","23","1","91","99","10.1039/D0CE01522A","","","0.71073","MoKα","","0.0785","0.0451","","","0.0946","0.1073","","","","","","1.031","","","","has coordinates,has disorder","261598","2021-02-04","22:57:40",""
"7241622","5.9277","0.0012","12.15","0.002","19.491","0.004","88.49","0.03","86.58","0.03","77.1","0.03","1365.8","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H33 Cl2 N3 O5 -","- C26 H33 Cl2 N3 O5 -","- C52 H66 Cl4 N6 O10 -","2","1","","Malapile, Ramokone Junia; Nyamayaro, Kudzanai; Nassimbeni, Luigi R.; Báthori, Nikoletta B.","Multicomponent crystals of baclofen with acids and bases—conformational flexibility and synthon versatility","CrystEngComm","2021","23","1","91","99","10.1039/D0CE01522A","","","0.71073","MoKα","","0.0674","0.0431","","","0.0946","0.106","","","","","","1.024","","","","has coordinates","261598","2021-02-04","22:57:40",""
"7241623","15.699","0.003","8.7459","0.0017","14.834","0.003","90","","106.08","0.03","90","","1957.1","0.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Cl3 N O5 -","- C18 H18 Cl3 N O5 -","- C72 H72 Cl12 N4 O20 -","4","1","","Malapile, Ramokone Junia; Nyamayaro, Kudzanai; Nassimbeni, Luigi R.; Báthori, Nikoletta B.","Multicomponent crystals of baclofen with acids and bases—conformational flexibility and synthon versatility","CrystEngComm","2021","23","1","91","99","10.1039/D0CE01522A","","","0.71073","MoKα","","0.0416","0.0331","","","0.0813","0.0862","","","","","","1.035","","","","has coordinates","261598","2021-02-04","22:57:40",""
"7241635","13.8569","0.0003","4.8751","0.0001","18.186","0.0004","90","","98.164","0.002","90","","1216.08","0.05","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 N2 O4 -","- C12 H14 N2 O4 -","- C48 H56 N8 O16 -","4","1","","Palai, Bibhuti Bhusana; Sharma, Nagendra K.","N-Arylated peptide: troponyl residue influences the structure and conformation of N-troponylated-(di/tri)-peptides","CrystEngComm","2021","23","1","131","139","10.1039/D0CE01386B","","x-ray","1.54184","CuKα","","0.048","0.042","","","0.1202","0.124","","","","","","1.067","","","","has coordinates","261587","2021-02-04","22:55:07",""
"7241636","13.8433","0.0012","11.6707","0.0008","8.3343","0.0007","90","","100.376","0.007","90","","1324.48","0.19","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 N2 O4 -","- C13 H16 N2 O4 -","- C52 H64 N8 O16 -","4","1","","Palai, Bibhuti Bhusana; Sharma, Nagendra K.","N-Arylated peptide: troponyl residue influences the structure and conformation of N-troponylated-(di/tri)-peptides","CrystEngComm","2021","23","1","131","139","10.1039/D0CE01386B","","x-ray","1.54184","CuKα","","0.1142","0.0767","","","0.222","0.2996","","","","","","1.067","","","","has coordinates","261587","2021-02-04","22:55:07",""
"7241637","6.8111","0.0003","7.3881","0.0003","27.5932","0.001","90","","90","","90","","1388.52","0.1","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 N2 O4 -","- C13 H16 N2 O4 -","- C52 H64 N8 O16 -","4","1","","Palai, Bibhuti Bhusana; Sharma, Nagendra K.","N-Arylated peptide: troponyl residue influences the structure and conformation of N-troponylated-(di/tri)-peptides","CrystEngComm","2021","23","1","131","139","10.1039/D0CE01386B","","","0.71073","MoKα","","0.0808","0.042","","","0.0923","0.1083","","","","","","1.015","","","","has coordinates","261587","2021-02-04","22:55:07",""
"7241638","8.2453","0.0002","9.1188","0.0003","11.2435","0.0004","77.692","0.002","86.278","0.002","86.449","0.002","823.19","0.05","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H22 N2 O4 -","- C16 H22 N2 O4 -","- C32 H44 N4 O8 -","2","1","","Palai, Bibhuti Bhusana; Sharma, Nagendra K.","N-Arylated peptide: troponyl residue influences the structure and conformation of N-troponylated-(di/tri)-peptides","CrystEngComm","2021","23","1","131","139","10.1039/D0CE01386B","","","0.71073","MoKα","","0.058","0.0437","","","0.117","0.1289","","","","","","1.04","","","","has coordinates","261587","2021-02-04","22:55:07",""
"7241639","7.8029","0.0005","10.6573","0.0005","10.8703","0.0005","115.74","0.004","99.231","0.003","103.722","0.004","754.32","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H20 N2 O4 -","- C15 H20 N2 O4 -","- C30 H40 N4 O8 -","2","1","","Palai, Bibhuti Bhusana; Sharma, Nagendra K.","N-Arylated peptide: troponyl residue influences the structure and conformation of N-troponylated-(di/tri)-peptides","CrystEngComm","2021","23","1","131","139","10.1039/D0CE01386B","","","0.71073","MoKα","","0.0993","0.0505","","","0.108","0.1226","","","","","","0.969","","","","has coordinates","261587","2021-02-04","22:55:07",""
"7241640","9.5709","0.0003","9.7281","0.0003","11.5654","0.0003","72.921","0.003","79.751","0.003","68.981","0.003","957.65","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H44 N4 O8 -","- C40 H44 N4 O8 -","- C40 H44 N4 O8 -","1","0.5","","Palai, Bibhuti Bhusana; Sharma, Nagendra K.","N-Arylated peptide: troponyl residue influences the structure and conformation of N-troponylated-(di/tri)-peptides","CrystEngComm","2021","23","1","131","139","10.1039/D0CE01386B","","x-ray","1.54184","CuKα","","0.092","0.0667","","","0.203","0.2267","","","","","","1.096","","","","has coordinates","261587","2021-02-04","22:55:07",""
"7241641","4.9595","0.0015","7.185","0.003","7.507","0.003","90","","91.847","0.01","90","","267.37","0.17","103","2","103","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C2 H24 B4 N4 -","- C2 H24 B4 N4 -","- C2 H24 B4 N4 -","1","0.25","","Li, Huizhen; Wang, Ruirui; Kang, Jiaxin; Li, Shujun; Zhou, Ai-Ju; Han, Dong-xue; Guan, Hong-Yu; Austin, Douglas J.; Yue, Yanfeng","Syntheses, formation mechanisms and structures of a series of linear diborazanes","CrystEngComm","2021","23","2","404","410","10.1039/D0CE01196G","","","0.71073","MoKα","","0.0574","0.0479","","","0.123","0.1288","","","","","","1.093","","","","has coordinates","261616","2021-02-04","23:01:06",""
"7241642","8.168","0.0006","9.1913","0.0006","12.2517","0.0008","100.972","0.006","106.036","0.006","90.602","0.006","865.9","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H36 B2 N2 O -","- C13 H36 B2 N2 O -","- C26 H72 B4 N4 O2 -","2","1","","Li, Huizhen; Wang, Ruirui; Kang, Jiaxin; Li, Shujun; Zhou, Ai-Ju; Han, Dong-xue; Guan, Hong-Yu; Austin, Douglas J.; Yue, Yanfeng","Syntheses, formation mechanisms and structures of a series of linear diborazanes","CrystEngComm","2021","23","2","404","410","10.1039/D0CE01196G","","","1.54184","CuKα","","0.0539","0.0459","","","0.1223","0.1306","","","","","","1.047","","","","has coordinates","261616","2021-02-04","23:01:16",""
"7241643","7.7493","0.0012","10.0768","0.0015","8.8384","0.0015","90","","103.921","0.01","90","","669.9","0.19","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C2 H14 B2 N2 -","- C2 H14 B2 N2 -","- C8 H56 B8 N8 -","4","1","","Li, Huizhen; Wang, Ruirui; Kang, Jiaxin; Li, Shujun; Zhou, Ai-Ju; Han, Dong-xue; Guan, Hong-Yu; Austin, Douglas J.; Yue, Yanfeng","Syntheses, formation mechanisms and structures of a series of linear diborazanes","CrystEngComm","2021","23","2","404","410","10.1039/D0CE01196G","","","0.71073","MoKα","","0.1489","0.0741","","","0.1442","0.174","","","","","","1.043","","","","has coordinates","261616","2021-02-04","23:01:16",""
"7241644","11.479","0.002","11.37","0.002","8.0519","0.0013","90","","107.516","0.004","90","","1002.2","0.3","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H22 B2 N2 -","- C6 H22 B2 N2 -","- C24 H88 B8 N8 -","4","1","","Li, Huizhen; Wang, Ruirui; Kang, Jiaxin; Li, Shujun; Zhou, Ai-Ju; Han, Dong-xue; Guan, Hong-Yu; Austin, Douglas J.; Yue, Yanfeng","Syntheses, formation mechanisms and structures of a series of linear diborazanes","CrystEngComm","2021","23","2","404","410","10.1039/D0CE01196G","","","0.71073","MoKα","","0.1589","0.063","","","0.1115","0.143","","","","","","1.019","","","","has coordinates","261616","2021-02-04","23:01:16",""
"7241645","8.847","0.002","9.433","0.003","10.103","0.003","116.645","0.012","107.265","0.012","95.625","0.013","692.8","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H52 B4 N4 O6 -","- C16 H52 B4 N4 O6 -","- C16 H52 B4 N4 O6 -","1","0.5","","Li, Huizhen; Wang, Ruirui; Kang, Jiaxin; Li, Shujun; Zhou, Ai-Ju; Han, Dong-xue; Guan, Hong-Yu; Austin, Douglas J.; Yue, Yanfeng","Syntheses, formation mechanisms and structures of a series of linear diborazanes","CrystEngComm","2021","23","2","404","410","10.1039/D0CE01196G","","","0.71073","MoKα","","0.0862","0.0457","","","0.0999","0.1231","","","","","","1.035","","","","has coordinates","261616","2021-02-04","23:01:16",""
"7241646","13.4684","0.0005","13.4684","0.0005","8.2997","0.0006","90","","90","","90","","1505.55","0.13","296","2","296","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C3 H16 B2 N2 -","- C3 H16 B2 N2 -","- C24 H128 B16 N16 -","8","1","","Li, Huizhen; Wang, Ruirui; Kang, Jiaxin; Li, Shujun; Zhou, Ai-Ju; Han, Dong-xue; Guan, Hong-Yu; Austin, Douglas J.; Yue, Yanfeng","Syntheses, formation mechanisms and structures of a series of linear diborazanes","CrystEngComm","2021","23","2","404","410","10.1039/D0CE01196G","","","0.71073","MoKα","","0.0411","0.0351","","","0.1015","0.1106","","","","","","0.652","","","","has coordinates","261616","2021-02-04","23:01:16",""
"7241647","21.6","0.002","9.1048","0.0008","7.4175","0.0006","90","","103.733","0.003","90","","1417.1","0.2","103","2","103","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C3 H16 B2 N2 -","- C3 H16 B2 N2 -","- C24 H128 B16 N16 -","8","1","","Li, Huizhen; Wang, Ruirui; Kang, Jiaxin; Li, Shujun; Zhou, Ai-Ju; Han, Dong-xue; Guan, Hong-Yu; Austin, Douglas J.; Yue, Yanfeng","Syntheses, formation mechanisms and structures of a series of linear diborazanes","CrystEngComm","2021","23","2","404","410","10.1039/D0CE01196G","","","0.71073","MoKα","","0.0547","0.0411","","","0.1044","0.111","","","","","","1.042","","","","has coordinates","261616","2021-02-04","23:01:16",""
"7241705","8.7562","0.0006","13.1732","0.001","12.6457","0.0007","90","","95.04","0.006","90","","1453.01","0.17","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 Cl2 Fe N10 O2 -","- C26 H26 Cl2 Fe N10 O2 -","- C52 H52 Cl4 Fe2 N20 O4 -","2","0.5","","Jakupec, Nikola; Fotović, Luka; Stilinović, Vladimir","The effect of halogen bonding on protonated hexacyanoferrate networks in hexacyanoferrates of halogenopyridines","CrystEngComm","2020","22","46","8142","8150","10.1039/D0CE01359E","","","0.71073","MoKα","","0.1193","0.0657","","","0.1443","0.1551","","","","","","0.845","","","","has coordinates","259727","2020-12-10","03:27:12",""
"7241706","14.9231","0.0014","8.4115","0.0007","18.7857","0.0016","90","","108.571","0.009","90","","2235.3","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 Fe I2 N8 O2 -","- C16 H16 Fe I2 N8 O2 -","- C64 H64 Fe4 I8 N32 O8 -","4","0.5","","Jakupec, Nikola; Fotović, Luka; Stilinović, Vladimir","The effect of halogen bonding on protonated hexacyanoferrate networks in hexacyanoferrates of halogenopyridines","CrystEngComm","2020","22","46","8142","8150","10.1039/D0CE01359E","","","0.71073","MoKα","","0.0533","0.0442","","","0.1115","0.1189","","","","","","1.036","","","","has coordinates","259727","2020-12-10","03:27:12",""
"7241707","8.8231","0.0004","11.0729","0.0003","13.2703","0.0007","90","","106.027","0.005","90","","1246.08","0.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Fe I2 N8 O2 -","- C18 H20 Fe I2 N8 O2 -","- C36 H40 Fe2 I4 N16 O4 -","2","0.5","","Jakupec, Nikola; Fotović, Luka; Stilinović, Vladimir","The effect of halogen bonding on protonated hexacyanoferrate networks in hexacyanoferrates of halogenopyridines","CrystEngComm","2020","22","46","8142","8150","10.1039/D0CE01359E","","","0.71073","MoKα","","0.047","0.0301","","","0.0637","0.0661","","","","","","0.872","","","","has coordinates","259727","2020-12-10","03:27:13",""
"7241708","8.3887","0.0004","9.639","0.0005","13.2734","0.0007","90","","99.11","0.005","90","","1059.73","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 Fe I2 N8 -","- C16 H12 Fe I2 N8 -","- C32 H24 Fe2 I4 N16 -","2","0.5","","Jakupec, Nikola; Fotović, Luka; Stilinović, Vladimir","The effect of halogen bonding on protonated hexacyanoferrate networks in hexacyanoferrates of halogenopyridines","CrystEngComm","2020","22","46","8142","8150","10.1039/D0CE01359E","","","0.71073","MoKα","","0.0513","0.0392","","","0.0909","0.1001","","","","","","1.063","","","","has coordinates","259727","2020-12-10","03:27:13",""
"7241709","8.1771","0.0009","11.2544","0.0012","12.1692","0.0015","91.426","0.009","108.865","0.01","90.318","0.009","1059.3","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H32 Cl4 Fe2 N16 O2 -","- C34 H32 Cl4 Fe2 N16 O2 -","- C34 H32 Cl4 Fe2 N16 O2 -","1","0.5","","Jakupec, Nikola; Fotović, Luka; Stilinović, Vladimir","The effect of halogen bonding on protonated hexacyanoferrate networks in hexacyanoferrates of halogenopyridines","CrystEngComm","2020","22","46","8142","8150","10.1039/D0CE01359E","","","0.71073","MoKα","","0.0674","0.0433","","","0.0742","0.0821","","","","","","1.02","","","","has coordinates","259727","2020-12-10","03:27:13",""
"7241710","14.7058","0.0015","8.3867","0.0006","18.3571","0.0018","90","","108.439","0.011","90","","2147.8","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 Br2 Fe N8 O2 -","- C16 H16 Br2 Fe N8 O2 -","- C64 H64 Br8 Fe4 N32 O8 -","4","0.5","","Jakupec, Nikola; Fotović, Luka; Stilinović, Vladimir","The effect of halogen bonding on protonated hexacyanoferrate networks in hexacyanoferrates of halogenopyridines","CrystEngComm","2020","22","46","8142","8150","10.1039/D0CE01359E","","","0.71073","MoKα","","0.0405","0.0309","","","0.0723","0.0767","","","","","","1.075","","","","has coordinates","259727","2020-12-10","03:27:13",""
"7241711","19.931","0.002","12.6943","0.0014","30.341","0.003","90","","93.819","0.008","90","","7659.5","1.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H44 Br8 Fe3 N26 -","- C58 H43 Br8 Fe3 N26 -","- C232 H172 Br32 Fe12 N104 -","4","0.5","","Jakupec, Nikola; Fotović, Luka; Stilinović, Vladimir","The effect of halogen bonding on protonated hexacyanoferrate networks in hexacyanoferrates of halogenopyridines","CrystEngComm","2020","22","46","8142","8150","10.1039/D0CE01359E","","","0.71073","MoKα","","0.2114","0.1075","","","0.2808","0.3679","","","","","","1.018","","","","has coordinates","259727","2020-12-10","03:27:13",""
"7241712","16.5183","0.0003","16.5183","0.0003","13.6408","0.0003","90","","90","","120","","3223.3","0.11","300","2","300","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- Ca0.3 Ce0.7 Cs0.3 P S4 -","- Ca0.3 Ce0.7 Cs0.300167 P S4 -","- Ca5.4 Ce12.6 Cs5.403 P18 S72 -","18","0.5","","Klepov, Vladislav V.; Kocevski, Vancho; Besmann, Theodore M.; zur Loye, Hans-Conrad","Dimensional reduction upon calcium incorporation in Cs0.3(Ca0.3Ln0.7)PS4 and Cs0.5(Ca0.5Ln0.5)PS4","CrystEngComm","2021","23","4","831","840","10.1039/D0CE01524E","","","0.71073","MoKα","","0.0388","0.0387","","","0.1094","0.1095","","","","","","1.138","","","","has coordinates","261601","2021-02-04","22:58:23",""
"7241713","9.2095","0.0002","9.2341","0.0002","16.7221","0.0004","90","","103.946","0.0008","90","","1380.15","0.05","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Ca0.5 Cs0.5 P Pr0.5 S4 -","- Ca0.5 Cs0.5 P Pr0.5 S4 -","- Ca4 Cs4 P8 Pr4 S32 -","8","1","","Klepov, Vladislav V.; Kocevski, Vancho; Besmann, Theodore M.; zur Loye, Hans-Conrad","Dimensional reduction upon calcium incorporation in Cs0.3(Ca0.3Ln0.7)PS4 and Cs0.5(Ca0.5Ln0.5)PS4","CrystEngComm","2021","23","4","831","840","10.1039/D0CE01524E","","","0.71073","MoKα","","0.0287","0.0267","","","0.0631","0.0642","","","","","","1.116","","","","has coordinates","261601","2021-02-04","22:58:24",""
"7241714","16.4128","0.0003","16.4128","0.0003","13.4526","0.0003","90","","90","","120","","3138.36","0.11","300","2","300","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- Ca0.3 Cs0.3 P S4 Sm0.7 -","- Ca0.3 Cs0.300167 P S4 Sm0.7 -","- Ca5.4 Cs5.403 P18 S72 Sm12.6 -","18","0.5","","Klepov, Vladislav V.; Kocevski, Vancho; Besmann, Theodore M.; zur Loye, Hans-Conrad","Dimensional reduction upon calcium incorporation in Cs0.3(Ca0.3Ln0.7)PS4 and Cs0.5(Ca0.5Ln0.5)PS4","CrystEngComm","2021","23","4","831","840","10.1039/D0CE01524E","","","0.71073","MoKα","","0.0352","0.0343","","","0.1061","0.1075","","","","","","0.98","","","","has coordinates","261601","2021-02-04","22:58:24",""
"7241715","16.4968","0.0004","16.4968","0.0004","13.5795","0.0003","90","","90","","120","","3200.47","0.13","300","2","300","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- Ca0.3 Cs0.3 P Pr0.7 S4 -","- Ca0.3 Cs0.300167 P Pr0.7 S4 -","- Ca5.4 Cs5.403 P18 Pr12.6 S72 -","18","0.5","","Klepov, Vladislav V.; Kocevski, Vancho; Besmann, Theodore M.; zur Loye, Hans-Conrad","Dimensional reduction upon calcium incorporation in Cs0.3(Ca0.3Ln0.7)PS4 and Cs0.5(Ca0.5Ln0.5)PS4","CrystEngComm","2021","23","4","831","840","10.1039/D0CE01524E","","","0.71073","MoKα","","0.0327","0.0327","","","0.0859","0.0859","","","","","","1.085","","","","has coordinates","261601","2021-02-04","22:58:24",""
"7241716","16.3458","0.0003","16.3458","0.0003","13.4242","0.0003","90","","90","","120","","3106.21","0.11","300","2","300","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- Ca0.3 Cs0.3 Gd0.7 P S4 -","- Ca0.3 Cs0.3 Gd0.7 P S4 -","- Ca5.4 Cs5.4 Gd12.6 P18 S72 -","18","0.5","","Klepov, Vladislav V.; Kocevski, Vancho; Besmann, Theodore M.; zur Loye, Hans-Conrad","Dimensional reduction upon calcium incorporation in Cs0.3(Ca0.3Ln0.7)PS4 and Cs0.5(Ca0.5Ln0.5)PS4","CrystEngComm","2021","23","4","831","840","10.1039/D0CE01524E","","","0.71073","MoKα","","0.0323","0.0323","","","0.091","0.091","","","","","","1.138","","","","has coordinates","261601","2021-02-04","22:58:24",""
"7241717","9.1603","0.0002","9.1898","0.0002","16.6882","0.0004","90","","103.687","0.0008","90","","1364.94","0.05","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Ca0.5 Cs0.5 Gd0.5 P S4 -","- Ca0.5 Cs0.5 Gd0.5 P S4 -","- Ca4 Cs4 Gd4 P8 S32 -","8","1","","Klepov, Vladislav V.; Kocevski, Vancho; Besmann, Theodore M.; zur Loye, Hans-Conrad","Dimensional reduction upon calcium incorporation in Cs0.3(Ca0.3Ln0.7)PS4 and Cs0.5(Ca0.5Ln0.5)PS4","CrystEngComm","2021","23","4","831","840","10.1039/D0CE01524E","","","0.71073","MoKα","","0.0192","0.019","","","0.0403","0.0404","","","","","","1.039","","","","has coordinates","261601","2021-02-04","22:58:24",""
"7241718","9.197","0.0002","9.2233","0.0002","16.7149","0.0004","90","","103.871","0.0008","90","","1376.52","0.05","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Ca0.5 Cs0.5 Nd0.5 P S4 -","- Ca0.5 Cs0.5 Nd0.5 P S4 -","- Ca4 Cs4 Nd4 P8 S32 -","8","1","","Klepov, Vladislav V.; Kocevski, Vancho; Besmann, Theodore M.; zur Loye, Hans-Conrad","Dimensional reduction upon calcium incorporation in Cs0.3(Ca0.3Ln0.7)PS4 and Cs0.5(Ca0.5Ln0.5)PS4","CrystEngComm","2021","23","4","831","840","10.1039/D0CE01524E","","","0.71073","MoKα","","0.0259","0.025","","","0.0661","0.0668","","","","","","1.109","","","","has coordinates","261601","2021-02-04","22:58:24",""
"7241719","9.1378","0.0002","9.1727","0.0002","16.6704","0.0004","90","","103.678","0.0008","90","","1357.66","0.05","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Ca0.5 Cs0.5 Dy0.5 P S4 -","- Ca0.5 Cs0.5 Dy0.5 P S4 -","- Ca4 Cs4 Dy4 P8 S32 -","8","1","","Klepov, Vladislav V.; Kocevski, Vancho; Besmann, Theodore M.; zur Loye, Hans-Conrad","Dimensional reduction upon calcium incorporation in Cs0.3(Ca0.3Ln0.7)PS4 and Cs0.5(Ca0.5Ln0.5)PS4","CrystEngComm","2021","23","4","831","840","10.1039/D0CE01524E","","","0.71073","MoKα","","0.0238","0.0237","","","0.0521","0.0522","","","","","","1.086","","","","has coordinates","261601","2021-02-04","22:58:24",""
"7241720","9.1479","0.0004","9.18","0.0004","16.6874","0.0007","90","","103.688","0.0015","90","","1361.57","0.1","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Ca0.5 Cs0.5 P S4 Tb0.5 -","- Ca0.5 Cs0.5 P S4 Tb0.5 -","- Ca4 Cs4 P8 S32 Tb4 -","8","1","","Klepov, Vladislav V.; Kocevski, Vancho; Besmann, Theodore M.; zur Loye, Hans-Conrad","Dimensional reduction upon calcium incorporation in Cs0.3(Ca0.3Ln0.7)PS4 and Cs0.5(Ca0.5Ln0.5)PS4","CrystEngComm","2021","23","4","831","840","10.1039/D0CE01524E","","","0.71073","MoKα","","0.0313","0.0311","","","0.0743","0.0744","","","","","","1.14","","","","has coordinates","261601","2021-02-04","22:58:24",""
"7241721","16.3288","0.0004","16.3288","0.0004","13.322","0.0004","90","","90","","120","","3076.16","0.14","301","2","301.39","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- Ca0.3 Cs0.3 Dy0.7 P S4 -","- Ca0.3 Cs0.300167 Dy0.7 P S4 -","- Ca5.4 Cs5.403 Dy12.6 P18 S72 -","18","0.5","","Klepov, Vladislav V.; Kocevski, Vancho; Besmann, Theodore M.; zur Loye, Hans-Conrad","Dimensional reduction upon calcium incorporation in Cs0.3(Ca0.3Ln0.7)PS4 and Cs0.5(Ca0.5Ln0.5)PS4","CrystEngComm","2021","23","4","831","840","10.1039/D0CE01524E","","","0.71073","MoKα","","0.0327","0.0311","","","0.0876","0.0897","","","","","","1.14","","","","has coordinates","261601","2021-02-04","22:58:24",""
"7241722","16.3448","0.0004","16.3448","0.0004","13.3425","0.0003","90","","90","","120","","3086.93","0.13","300","2","300","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- Ca0.3 Cs0.3 P S4 Tb0.7 -","- Ca0.3 Cs0.3 P S4 Tb0.7 -","- Ca5.4 Cs5.4 P18 S72 Tb12.6 -","18","0.5","","Klepov, Vladislav V.; Kocevski, Vancho; Besmann, Theodore M.; zur Loye, Hans-Conrad","Dimensional reduction upon calcium incorporation in Cs0.3(Ca0.3Ln0.7)PS4 and Cs0.5(Ca0.5Ln0.5)PS4","CrystEngComm","2021","23","4","831","840","10.1039/D0CE01524E","","","0.71073","MoKα","","0.0298","0.0298","","","0.0878","0.0878","","","","","","1.126","","","","has coordinates","261601","2021-02-04","22:58:24",""
"7241723","9.1778","0.0003","9.2037","0.0003","16.6857","0.0005","90","","103.778","0.0013","90","","1368.88","0.08","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Ca0.5 Cs0.5 P S4 Sm0.5 -","- Ca0.5 Cs0.5 P S4 Sm0.5 -","- Ca4 Cs4 P8 S32 Sm4 -","8","1","","Klepov, Vladislav V.; Kocevski, Vancho; Besmann, Theodore M.; zur Loye, Hans-Conrad","Dimensional reduction upon calcium incorporation in Cs0.3(Ca0.3Ln0.7)PS4 and Cs0.5(Ca0.5Ln0.5)PS4","CrystEngComm","2021","23","4","831","840","10.1039/D0CE01524E","","","0.71073","MoKα","","0.0247","0.0231","","","0.0526","0.0534","","","","","","1.098","","","","has coordinates","261601","2021-02-04","22:58:24",""
"7241724","16.4932","0.0004","16.4932","0.0004","13.5289","0.0003","90","","90","","120","","3187.15","0.13","300","2","300","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- Ca0.3 Cs0.3 Nd0.7 P S4 -","- Ca0.3 Cs0.300333 Nd0.7 P S4 -","- Ca5.4 Cs5.406 Nd12.6 P18 S72 -","18","0.5","","Klepov, Vladislav V.; Kocevski, Vancho; Besmann, Theodore M.; zur Loye, Hans-Conrad","Dimensional reduction upon calcium incorporation in Cs0.3(Ca0.3Ln0.7)PS4 and Cs0.5(Ca0.5Ln0.5)PS4","CrystEngComm","2021","23","4","831","840","10.1039/D0CE01524E","","","0.71073","MoKα","","0.0332","0.033","","","0.0922","0.0924","","","","","","1.161","","","","has coordinates","261601","2021-02-04","22:58:24",""
"7241725","10.54","0.005","14.07","0.005","15.113","0.005","110.556","0.005","106.367","0.005","102.044","0.005","1891.8","1.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H24 Ca N12 O17 S2 -","- C28 H24 Ca N12 O17 S2 -","- C56 H48 Ca2 N24 O34 S4 -","2","1","","Chen, Kai; Hua, Zi-Yi; Li, Ran; Peng, Yu-Ying; Zhu, Qiang Zhao; Zhao, Jiang-Lin; Redshaw, Carl","Assemblies of cucurbit[6]uril-based coordination complexes with disulfonate ligands: from discrete complexes to one- and two-dimensional polymers","CrystEngComm","2021","23","2","465","481","10.1039/D0CE01456G","","","0.71069","MoKα","","0.114","0.0563","","","0.1517","0.1726","","","","","","1.011","","","","has coordinates","261625","2021-02-04","23:03:19",""
"7241726","10.714","0.005","14.407","0.005","15.63","0.005","65.529","0.005","73.674","0.005","86.24","0.005","2103.8","1.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H24 N12 O17 S2 Sr -","- C28 H24 N12 O17 S2 Sr -","- C56 H48 N24 O34 S4 Sr2 -","2","1","","Chen, Kai; Hua, Zi-Yi; Li, Ran; Peng, Yu-Ying; Zhu, Qiang Zhao; Zhao, Jiang-Lin; Redshaw, Carl","Assemblies of cucurbit[6]uril-based coordination complexes with disulfonate ligands: from discrete complexes to one- and two-dimensional polymers","CrystEngComm","2021","23","2","465","481","10.1039/D0CE01456G","","","0.71069","MoKα","","0.0559","0.0437","","","0.1189","0.1247","","","","","","1.024","","","","has coordinates","261625","2021-02-04","23:03:19",""
"7241727","10.77","0.005","14.128","0.005","15.073","0.005","110.391","0.005","107.23","0.005","101.991","0.005","1925.5","1.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H24 N12 O17 S2 Sr -","- C28 H24 N12 O17 S2 Sr -","- C56 H48 N24 O34 S4 Sr2 -","2","1","","Chen, Kai; Hua, Zi-Yi; Li, Ran; Peng, Yu-Ying; Zhu, Qiang Zhao; Zhao, Jiang-Lin; Redshaw, Carl","Assemblies of cucurbit[6]uril-based coordination complexes with disulfonate ligands: from discrete complexes to one- and two-dimensional polymers","CrystEngComm","2021","23","2","465","481","10.1039/D0CE01456G","","","0.71073","MoKα","","0.0743","0.0464","","","0.114","0.1228","","","","","","1.021","","","","has coordinates","261625","2021-02-04","23:03:19",""
"7241728","11.244","0.0006","13.9869","0.0008","14.8283","0.0008","109.442","0.002","111.672","0.002","99.695","0.002","1927.38","0.19","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H24 Ba N12 O17 S2 -","- C28 H24 Ba N12 O17 S2 -","- C56 H48 Ba2 N24 O34 S4 -","2","1","","Chen, Kai; Hua, Zi-Yi; Li, Ran; Peng, Yu-Ying; Zhu, Qiang Zhao; Zhao, Jiang-Lin; Redshaw, Carl","Assemblies of cucurbit[6]uril-based coordination complexes with disulfonate ligands: from discrete complexes to one- and two-dimensional polymers","CrystEngComm","2021","23","2","465","481","10.1039/D0CE01456G","","","1.34139","GaKα","","0.0763","0.0698","","","0.1878","0.1953","","","","","","1.036","","","","has coordinates","261625","2021-02-04","23:03:19",""
"7241729","16.623","0.004","10.715","0.002","25.723","0.006","90","","90.124","0.004","90","","4581.7","1.8","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 N12 O17 S2 Sr -","- C28 H24 N12 O17 S2 Sr -","- C112 H96 N48 O68 S8 Sr4 -","4","1","","Chen, Kai; Hua, Zi-Yi; Li, Ran; Peng, Yu-Ying; Zhu, Qiang Zhao; Zhao, Jiang-Lin; Redshaw, Carl","Assemblies of cucurbit[6]uril-based coordination complexes with disulfonate ligands: from discrete complexes to one- and two-dimensional polymers","CrystEngComm","2021","23","2","465","481","10.1039/D0CE01456G","","","0.71073","MoKα","","0.0968","0.0649","","","0.1783","0.1955","","","","","","1.048","","","","has coordinates,has disorder","261625","2021-02-04","23:03:19",""
"7241730","16.5541","0.0013","10.4598","0.0008","25.6563","0.0019","90","","90.83","0.003","90","","4442","0.6","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 Ca N12 O17 S2 -","- C28 H24 Ca N12 O17 S2 -","- C112 H96 Ca4 N48 O68 S8 -","4","1","","Chen, Kai; Hua, Zi-Yi; Li, Ran; Peng, Yu-Ying; Zhu, Qiang Zhao; Zhao, Jiang-Lin; Redshaw, Carl","Assemblies of cucurbit[6]uril-based coordination complexes with disulfonate ligands: from discrete complexes to one- and two-dimensional polymers","CrystEngComm","2021","23","2","465","481","10.1039/D0CE01456G","","","1.34139","GaKα","","0.0745","0.0667","","","0.1923","0.1996","","","","","","1.033","","","","has coordinates","261625","2021-02-04","23:03:19",""
"7241731","27.899","0.003","15.2073","0.0016","39.875","0.005","90","","106.296","0.002","90","","16238","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H48 Ba2 N24 O30 S4 -","- C56 H48 Ba2 N24 O30 S4 -","- C448 H384 Ba16 N192 O240 S32 -","8","1","","Chen, Kai; Hua, Zi-Yi; Li, Ran; Peng, Yu-Ying; Zhu, Qiang Zhao; Zhao, Jiang-Lin; Redshaw, Carl","Assemblies of cucurbit[6]uril-based coordination complexes with disulfonate ligands: from discrete complexes to one- and two-dimensional polymers","CrystEngComm","2021","23","2","465","481","10.1039/D0CE01456G","","","0.71073","MoKα","","0.0616","0.0476","","","0.1157","0.1227","","","","","","1.015","","","","has coordinates,has disorder","261625","2021-02-04","23:03:19",""
"7241732","25.565","0.003","31.743","0.003","10.3985","0.0011","90","","90","","90","","8438.5","1.6","296","2","296","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C56 H47 Ca2 N24 O34 S4 -","- C56 H47 Ca2 N24 O34 S4 -","- C224 H188 Ca8 N96 O136 S16 -","4","1","","Chen, Kai; Hua, Zi-Yi; Li, Ran; Peng, Yu-Ying; Zhu, Qiang Zhao; Zhao, Jiang-Lin; Redshaw, Carl","Assemblies of cucurbit[6]uril-based coordination complexes with disulfonate ligands: from discrete complexes to one- and two-dimensional polymers","CrystEngComm","2021","23","2","465","481","10.1039/D0CE01456G","","","0.71073","MoKα","","0.0639","0.06","","","0.1598","0.1629","","","","","","1.034","","","","has coordinates","261625","2021-02-04","23:03:19",""
"7241733","12.604","0.005","16.258","0.005","31.463","0.005","90","","97.344","0.005","90","","6394","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H42 N24 O23 S2 Sr -","- C46 H42 N24 O23 S2 Sr -","- C184 H168 N96 O92 S8 Sr4 -","4","1","","Chen, Kai; Hua, Zi-Yi; Li, Ran; Peng, Yu-Ying; Zhu, Qiang Zhao; Zhao, Jiang-Lin; Redshaw, Carl","Assemblies of cucurbit[6]uril-based coordination complexes with disulfonate ligands: from discrete complexes to one- and two-dimensional polymers","CrystEngComm","2021","23","2","465","481","10.1039/D0CE01456G","","","0.71069","MoKα","","0.0908","0.0592","","","0.1593","0.1729","","","","","","1.032","","","","has coordinates","261625","2021-02-04","23:03:19",""
"7241734","6.1757","0.0002","5.9211","0.0002","7.7084","0.0003","90","","100.434","0.002","90","","277.212","0.017","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","RR-tartaric acid","","- C4 H6 O6 -","- C4 H6 O6 -","- C8 H12 O12 -","2","1","","Mroz, Damian; Wang, Ruimin; Englert, Ulli; Dronskowski, Richard","Displacement parameters from density-functional theory and their validation in the experimental charge density of tartaric acid","CrystEngComm","2021","23","4","1052","1058","10.1039/D0CE01425G","","","0.71073","MoKα","","0.029","0.025","","","","0.048","0.037","","","","","1.023","","","","has coordinates","261606","2021-02-04","22:59:04",""
"7241735","6.1757","0.0002","5.9211","0.0002","7.7084","0.0003","90","","100.434","0.002","90","","277.212","0.017","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","RR-tartaric acid","","- C4 H6 O6 -","- C4 H6 O6 -","- C8 H12 O12 -","2","1","","Mroz, Damian; Wang, Ruimin; Englert, Ulli; Dronskowski, Richard","Displacement parameters from density-functional theory and their validation in the experimental charge density of tartaric acid","CrystEngComm","2021","23","4","1052","1058","10.1039/D0CE01425G","","","0.71073","MoKα","","0.0377","0.0352","","","0.0864","0.0882","","","","","","1.12","","","","has coordinates","261606","2021-02-04","22:59:07",""
"7241736","7.8699","0.0002","36.0925","0.0007","11.3684","0.0003","90","","92.524","0.002","90","","3226","0.13","123","2","123.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-Aminoazobenzene; 3-Amino-4-methylpyridine","","- C36 H38 N10 -","- C36 H38 N10 -","- C144 H152 N40 -","4","1","","Ye, Yang; Gao, Lei; Hao, Hongxun; Yin, Qiuxiang; Xie, Chuang","Tuning the photomechanical behavior and excellent elasticity of azobenzene via cocrystal engineering","CrystEngComm","2020","22","46","8045","8053","10.1039/D0CE01394C","","x-ray","0.71073","MoKα","","0.0548","0.0467","","","0.1196","0.1258","","","","","","1.021","","","","has coordinates,has disorder","259731","2020-12-10","03:35:48",""
"7241737","7.5794","0.0004","5.6975","0.0003","21.4258","0.0009","90","","97.914","0.004","90","","916.43","0.08","123","2","123.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","4-Aminoazobenzene;4,4'-Bipyridine","","- C22 H19 N5 -","- C22 H19 N5 -","- C44 H38 N10 -","2","1","","Ye, Yang; Gao, Lei; Hao, Hongxun; Yin, Qiuxiang; Xie, Chuang","Tuning the photomechanical behavior and excellent elasticity of azobenzene via cocrystal engineering","CrystEngComm","2020","22","46","8045","8053","10.1039/D0CE01394C","","x-ray","0.71073","MoKα","","0.0537","0.0514","","","0.1487","0.1516","","","","","","1.054","","","","has coordinates","259731","2020-12-10","03:35:49",""
"7241738","7.73","0.0006","5.6677","0.0004","23.0411","0.0014","90","","91.233","0.006","90","","1009.23","0.12","123","2","123.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","4-Aminoazobenzene;1,2-bis(4-pyridyl)ethane","","- C24 H23 N5 -","- C24 H23 N5 -","- C48 H46 N10 -","2","1","","Ye, Yang; Gao, Lei; Hao, Hongxun; Yin, Qiuxiang; Xie, Chuang","Tuning the photomechanical behavior and excellent elasticity of azobenzene via cocrystal engineering","CrystEngComm","2020","22","46","8045","8053","10.1039/D0CE01394C","","x-ray","0.71073","MoKα","","0.1033","0.0715","","","0.1964","0.2223","","","","","","1.041","","","","has coordinates,has disorder","259731","2020-12-10","03:35:49",""
"7241739","7.9177","0.0016","5.9154","0.0012","19.843","0.004","90","","90.84","0.03","90","","929.3","0.3","113","2","113.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","4-Aminoazobenzene; 4-Pyrrolidinopyridine","","- C21 H23 N5 -","- C21 H23 N5 -","- C42 H46 N10 -","2","1","","Ye, Yang; Gao, Lei; Hao, Hongxun; Yin, Qiuxiang; Xie, Chuang","Tuning the photomechanical behavior and excellent elasticity of azobenzene via cocrystal engineering","CrystEngComm","2020","22","46","8045","8053","10.1039/D0CE01394C","","","0.71073","MoKα","","0.0647","0.0471","","","0.1059","0.116","","","","","","0.974","","","","has coordinates,has disorder","259731","2020-12-10","03:35:49",""
"7241740","25.715","0.005","5.9027","0.0012","31.344","0.006","90","","107.76","0.03","90","","4530.9","1.7","113","2","113.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4-aminoazobenzene; 1-(1-naphthyl)-2-(4'-pyridyl)ethylene","","- C29 H24 N4 -","- C29 H23 N4 -","- C232 H184 N32 -","8","2","","Ye, Yang; Gao, Lei; Hao, Hongxun; Yin, Qiuxiang; Xie, Chuang","Tuning the photomechanical behavior and excellent elasticity of azobenzene via cocrystal engineering","CrystEngComm","2020","22","46","8045","8053","10.1039/D0CE01394C","","","0.71073","MoKα","","0.122","0.0776","","","0.1948","0.2262","","","","","","1.055","","","","has coordinates,has disorder","259731","2020-12-10","03:35:49",""
"7241741","14.329","0.0009","5.8217","0.0004","18.5725","0.0012","90","","93.903","0.002","90","","1545.71","0.18","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C72 H52 Cd4 O22 S4 -","- C72 H52 Cd4 O22 S4 -","- C72 H52 Cd4 O22 S4 -","1","0.5","","Hsu, Kai-Ting; Thanasekaran, Pounraj; Hsu, Ting-Wei; Su, Cing-Huei; Chang, Bor-Chen; Liu, Yen-Hsiang; Hung, Chen-Hsiung; Lu, Kuang-Lieh","A nonlinear optical cadmium(ii)-based metal‒organic framework with chiral helical chains derived from an achiral bent dicarboxylate ligand","CrystEngComm","2021","23","4","824","830","10.1039/D0CE01517B","","","0.71073","MoKα","","0.0551","0.0387","","","0.0571","0.0628","","","","","","1.067","","","","has coordinates","261609","2021-02-04","22:59:31",""
"7241742","9.7369","0.0003","9.7369","0.0003","76.074","0.002","90","","90","","90","","7212.4","0.4","220","1","220","1","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C46 H37 Cd Cl I4 S32 -","- C46 H37 Cd Cl I4 S32 -","- C184 H148 Cd4 Cl4 I16 S128 -","4","0.25","","Shilov, Gennadii V.; Zhilyaeva, Elena I.; Flakina, Alexandra M.; Aldoshin, Sergey M.; Konarev, Dmitri V.; Lyubovskii, Rustem B.; Lyubovskaya, Rimma N.","Phase transformations of iodine-containing dual-layered conductor θ-(ET)4CdI4(PhCl) upon cooling","CrystEngComm","2020","22","46","8054","8062","10.1039/D0CE01375G","","","0.7107","MoKα","","0.0743","0.0619","","","0.1144","0.1199","","","","","","1.178","","","","has coordinates,has disorder","259733","2020-12-10","03:37:08",""
"7241743","9.6448","0.0009","76.132","0.0012","9.7076","0.001","90","","90.2","","90","","7128","1","185","1","185.01","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C46 H37 Cd Cl I4 S32 -","- C46 H37 Cd0.999 Cl I3.996 S32 -","- C184 H148 Cd3.996 Cl4 I15.984 S128 -","4","0.5","","Shilov, Gennadii V.; Zhilyaeva, Elena I.; Flakina, Alexandra M.; Aldoshin, Sergey M.; Konarev, Dmitri V.; Lyubovskii, Rustem B.; Lyubovskaya, Rimma N.","Phase transformations of iodine-containing dual-layered conductor θ-(ET)4CdI4(PhCl) upon cooling","CrystEngComm","2020","22","46","8054","8062","10.1039/D0CE01375G","","","0.7107","MoKα","","0.1493","0.1263","","","0.3201","0.3429","","","","","","1.119","","","","has coordinates,has disorder","259733","2020-12-10","03:37:08",""
"7241744","9.5531","0.0008","9.7052","0.0008","76.0688","0.001","89.884","0.004","89.917","0.004","89.798","0.007","7052.6","0.8","100","1","100","1","","","","","","","","6","I -1","-I 1","2","","","","- C46 H37 Cd Cl I4 S32 -","- C46 H37 Cd Cl I4 S32 -","- C184 H148 Cd4 Cl4 I16 S128 -","4","","","Shilov, Gennadii V.; Zhilyaeva, Elena I.; Flakina, Alexandra M.; Aldoshin, Sergey M.; Konarev, Dmitri V.; Lyubovskii, Rustem B.; Lyubovskaya, Rimma N.","Phase transformations of iodine-containing dual-layered conductor θ-(ET)4CdI4(PhCl) upon cooling","CrystEngComm","2020","22","46","8054","8062","10.1039/D0CE01375G","","","0.7107","MoKα","","0.1281","0.1021","","","0.2609","0.2897","","","","","","1.026","","","","has coordinates,has disorder","259733","2020-12-10","03:37:08",""
"7241745","13.1254","0.0006","13.6595","0.0006","8.5225","0.0004","90","","90","","90","","1527.97","0.12","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C8 H12 Cd N2 O2 S4 -","- C8 H12 Cd N2 O2 S4 -","- C32 H48 Cd4 N8 O8 S16 -","4","0.5","","Adhikari, Suman; Bhattacharjee, Tirtha; Das, Arijit; Roy, Subhadip; Daniliuc, Constantin Gabriel; Zaręba, Jan K.; Bauzá, Antonio; Frontera, Antonio","On the supramolecular properties of neutral, anionic and cationic cadmium complexes harvested from dithiolate‒polyamine binary ligand systems","CrystEngComm","2020","22","46","8023","8035","10.1039/D0CE01233E","","","1.54178","CuKα","","0.0331","0.0326","","","0.0757","0.0759","","","","","","1.244","","","","has coordinates,has disorder","259734","2020-12-10","03:37:59",""
"7241746","9.7864","0.0005","10.9611","0.0006","16.022","0.0008","90","","102.095","0.002","90","","1680.52","0.15","152","2","152","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H22 Cd N6 O S2 -","- C10 H22 Cd N6 O S2 -","- C40 H88 Cd4 N24 O4 S8 -","4","1","","Adhikari, Suman; Bhattacharjee, Tirtha; Das, Arijit; Roy, Subhadip; Daniliuc, Constantin Gabriel; Zaręba, Jan K.; Bauzá, Antonio; Frontera, Antonio","On the supramolecular properties of neutral, anionic and cationic cadmium complexes harvested from dithiolate‒polyamine binary ligand systems","CrystEngComm","2020","22","46","8023","8035","10.1039/D0CE01233E","","","1.54178","CuKα","","0.0209","0.0196","","","0.0452","0.0458","","","","","","1.035","","","","has coordinates,has disorder","259734","2020-12-10","03:37:59",""
"7241747","14.6814","0.0003","17.4409","0.0004","17.6486","0.0004","90","","90","","90","","4519.04","0.17","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H52 Cd3 N18 S6 -","- C28 H52 Cd3 N18 S6 -","- C112 H208 Cd12 N72 S24 -","4","1","","Adhikari, Suman; Bhattacharjee, Tirtha; Das, Arijit; Roy, Subhadip; Daniliuc, Constantin Gabriel; Zaręba, Jan K.; Bauzá, Antonio; Frontera, Antonio","On the supramolecular properties of neutral, anionic and cationic cadmium complexes harvested from dithiolate‒polyamine binary ligand systems","CrystEngComm","2020","22","46","8023","8035","10.1039/D0CE01233E","","","1.54178","CuKα","","0.0347","0.0313","","","0.0711","0.0729","","","","","","1.064","","","","has coordinates,has disorder","259734","2020-12-10","03:37:59",""
"7241748","12.46","0.014","10.231","0.01","18.54","0.02","90","","92.34","0.02","90","","2361","4","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","CUST-531","","- C25 H21 Cd N4 O5 -","- C25 H21 Cd N4 O5 -","- C100 H84 Cd4 N16 O20 -","4","1","","Fan, Ming Yue; Fu, Peng; Li, Jiao; Su, Zhong Min; Li, Xiao; Pan, Qing Qing; Hu, Xiao Li","2D luminescent metal‒organic framework: efficient and highly selective detection of 2,4,6-trinitrophenol at the ppb level","CrystEngComm","2021","23","4","929","934","10.1039/D0CE01581D","","","0.71073","MoKα","","0.0891","0.0566","","","0.1465","0.1673","","","","","","1.05","","","","has coordinates","261605","2021-02-04","22:58:57",""
"7241749","10.6427","0.0008","20.2187","0.0015","18.7795","0.0014","90","","93.18","0.001","90","","4034.8","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35.4 H19 Cd3 N1.4 O16 S4 -","- C35.4 H19 Cd3 N1.4 O16 S4 -","- C141.6 H76 Cd12 N5.6 O64 S16 -","4","0.5","","Liu, Jian-Jun; Xia, Shu-Biao; Liu, Dan; Liu, Jiaming; Cheng, Fei-Xiang","Encapsulating organic guest cations in anionic MOFs that exhibit multi-responsive photochromism and photocontrolled luminescence","CrystEngComm","2021","23","4","850","856","10.1039/D0CE01545H","","","0.71073","MoKα","","0.0574","0.0459","","","0.1061","0.1107","","","","","","1.126","","","","has coordinates","261612","2021-02-04","23:00:18",""
"7241750","13.2067","0.0016","15.497","0.0018","16.513","0.002","90","","108.694","0.002","90","","3201.3","0.7","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C30 H22 Cd2 N2 O13 -","- C30 H22 Cd2 N2 O13 -","- C120 H88 Cd8 N8 O52 -","4","1","","Liu, Jian-Jun; Xia, Shu-Biao; Liu, Dan; Liu, Jiaming; Cheng, Fei-Xiang","Encapsulating organic guest cations in anionic MOFs that exhibit multi-responsive photochromism and photocontrolled luminescence","CrystEngComm","2021","23","4","850","856","10.1039/D0CE01545H","","","0.71073","MoKα","","0.0297","0.0284","","","0.0697","0.0704","","","","","","1.006","","","","has coordinates","261612","2021-02-04","23:00:19",""
"7241751","33.1757","0.0004","33.1757","0.0004","10.5521","0.0002","90","","90","","90","","11613.9","0.3","130.01","0.1","130.01","0.1","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- C8 H14 Ca2 O9 -","- C8 H14 Ca2 O9 -","- C256 H448 Ca64 O288 -","32","1","","Abrahams, Brendan F.; Commons, Christopher J.; Hudson, Timothy A.; Sanchez Arlt, Robin W.","The elusive crystals of calcium acetate hemihydrate: chiral rods linked by parallel hydrophilic strips","CrystEngComm","2021","23","3","707","713","10.1039/D0CE01590C","","x-ray","1.54184","CuKα","","0.0334","0.0293","","","0.0794","0.0829","","","","","","1.18","","","","has coordinates,has disorder","261630","2021-02-04","23:04:49",""
"7241752","26.891","0.0015","16.3784","0.0009","20.2907","0.0012","90","","130.136","0.003","90","","6832.2","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H82 Mn3 N6 O31 -","- C54 H58 Mn3 N4 O24 -","- C216 H232 Mn12 N16 O96 -","4","0.5","","Yang, Dongdong; Liu, Xiaxia; Lu, Liping; Zhu, Miaoli","Effects of two different solvents on the syntheses, structural diversity, and magnetic properties of six Mn(ii) complexes derived from 3,3′-((5-carboxy-1,3-phenylene)bis(oxy))dibenzoate and variable N-donor ligands","CrystEngComm","2020","22","46","8088","8099","10.1039/D0CE01383H","","","0.71073","MoKα","","0.0973","0.0494","","","0.1007","0.1163","","","","","","1.016","","","","has coordinates","259738","2020-12-10","03:41:12",""
"7241753","13.706","0.003","10.943","0.002","23.695","0.005","90","","106.11","0.03","90","","3414.3","1.3","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C78 H57 Mn3 N6 O22 -","- C78 H48.988 Mn3 N6 O18 -","- C156 H97.976 Mn6 N12 O36 -","2","0.5","","Yang, Dongdong; Liu, Xiaxia; Lu, Liping; Zhu, Miaoli","Effects of two different solvents on the syntheses, structural diversity, and magnetic properties of six Mn(ii) complexes derived from 3,3′-((5-carboxy-1,3-phenylene)bis(oxy))dibenzoate and variable N-donor ligands","CrystEngComm","2020","22","46","8088","8099","10.1039/D0CE01383H","","","0.71","synchrotron","","0.0482","0.0443","","","0.108","0.1108","","","","","","1.032","","","","has coordinates,has disorder","259738","2020-12-10","03:41:12",""
"7241754","10.2097","0.0009","10.7615","0.001","13.8645","0.0013","81.129","0.002","79.737","0.002","64.205","0.002","1344.5","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H44 Mn2 N4 O18 -","- C62 H44 Mn2 N4 O18 -","- C62 H44 Mn2 N4 O18 -","1","0.5","","Yang, Dongdong; Liu, Xiaxia; Lu, Liping; Zhu, Miaoli","Effects of two different solvents on the syntheses, structural diversity, and magnetic properties of six Mn(ii) complexes derived from 3,3′-((5-carboxy-1,3-phenylene)bis(oxy))dibenzoate and variable N-donor ligands","CrystEngComm","2020","22","46","8088","8099","10.1039/D0CE01383H","","","0.71073","MoKα","","0.1997","0.0762","","","0.0971","0.1243","","","","","","0.983","","","","has coordinates","259738","2020-12-10","03:41:12",""
"7241755","11.4113","0.0014","13.9536","0.0016","14.723","0.0018","105.212","0.003","92.722","0.004","107.323","0.003","2139.4","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H47 Mn N6 O18 -","- C39 H31 Mn N6 O10 -","- C78 H62 Mn2 N12 O20 -","2","1","","Yang, Dongdong; Liu, Xiaxia; Lu, Liping; Zhu, Miaoli","Effects of two different solvents on the syntheses, structural diversity, and magnetic properties of six Mn(ii) complexes derived from 3,3′-((5-carboxy-1,3-phenylene)bis(oxy))dibenzoate and variable N-donor ligands","CrystEngComm","2020","22","46","8088","8099","10.1039/D0CE01383H","","","0.71073","MoKα","","0.1555","0.0658","","","0.1336","0.1613","","","","","","0.976","","","","has coordinates","259738","2020-12-10","03:41:12",""
"7241756","12.916","0.002","8.9128","0.0013","27.161","0.004","90","","98.425","0.004","90","","3093","0.8","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H25 Mn2 N3 O12 -","- C31 H25 Mn2 N3 O12 -","- C124 H100 Mn8 N12 O48 -","4","1","","Yang, Dongdong; Liu, Xiaxia; Lu, Liping; Zhu, Miaoli","Effects of two different solvents on the syntheses, structural diversity, and magnetic properties of six Mn(ii) complexes derived from 3,3′-((5-carboxy-1,3-phenylene)bis(oxy))dibenzoate and variable N-donor ligands","CrystEngComm","2020","22","46","8088","8099","10.1039/D0CE01383H","","","0.71073","MoKα","","0.1151","0.0611","","","0.1508","0.1778","","","","","","1.028","","","","has coordinates","259738","2020-12-10","03:41:12",""
"7241757","28.4052","0.0019","16.0847","0.0012","19.9257","0.0012","90","","133.158","0.003","90","","6641","0.8","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C69 H62 Mn3 N6 O23 -","- C66 H42 Mn3 N4 O18 -","- C264 H168 Mn12 N16 O72 -","4","0.5","","Yang, Dongdong; Liu, Xiaxia; Lu, Liping; Zhu, Miaoli","Effects of two different solvents on the syntheses, structural diversity, and magnetic properties of six Mn(ii) complexes derived from 3,3′-((5-carboxy-1,3-phenylene)bis(oxy))dibenzoate and variable N-donor ligands","CrystEngComm","2020","22","46","8088","8099","10.1039/D0CE01383H","","","0.71073","MoKα","","0.1478","0.0569","","","0.1093","0.1349","","","","","","0.967","","","","has coordinates","259738","2020-12-10","03:41:13",""
"7241758","18.2863","0.0011","11.3902","0.0006","30.447","0.002","90","","106.745","0.002","90","","6072.7","0.6","150","2","149.98","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H26 N8 O2 Zn -","- C36 H26 N8 O2 Zn -","- C288 H208 N64 O16 Zn8 -","8","1","","Tómasson, Daníel Arnar; Ghosh, Dipankar; Kurup, M. R. Prathapachandra; Mulvee, Matthew T.; Damodaran, Krishna K.","Evaluating the role of a urea-like motif in enhancing the thermal and mechanical strength of supramolecular gels","CrystEngComm","2021","23","3","617","628","10.1039/D0CE01194K","","","0.71073","MoKα","","0.0447","0.0341","","","0.0842","0.088","","","","","","1.018","","","","has coordinates","261634","2021-02-04","23:05:20",""
"7241759","3.8464","0.0001","11.0679","0.0003","35.2718","0.0009","90","","91.812","0.001","90","","1500.83","0.07","150","2","149.97","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 N5 O -","- C18 H15 N5 O -","- C72 H60 N20 O4 -","4","1","","Tómasson, Daníel Arnar; Ghosh, Dipankar; Kurup, M. R. Prathapachandra; Mulvee, Matthew T.; Damodaran, Krishna K.","Evaluating the role of a urea-like motif in enhancing the thermal and mechanical strength of supramolecular gels","CrystEngComm","2021","23","3","617","628","10.1039/D0CE01194K","","","1.54178","CuKα","","0.0562","0.046","","","0.1096","0.1155","","","","","","1.062","","","","has coordinates","261634","2021-02-04","23:05:20",""
"7241760","8.1129","0.0005","14.5881","0.0008","15.9877","0.0009","90","","93.22","0.002","90","","1889.19","0.19","150","2","150.01","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 Cd Cl2 N5 O -","- C18 H15 Cd Cl2 N5 O -","- C72 H60 Cd4 Cl8 N20 O4 -","4","1","","Tómasson, Daníel Arnar; Ghosh, Dipankar; Kurup, M. R. Prathapachandra; Mulvee, Matthew T.; Damodaran, Krishna K.","Evaluating the role of a urea-like motif in enhancing the thermal and mechanical strength of supramolecular gels","CrystEngComm","2021","23","3","617","628","10.1039/D0CE01194K","","","0.71073","MoKα","","0.0269","0.0189","","","0.0435","0.0456","","","","","","1.025","","","","has coordinates","261634","2021-02-04","23:05:20",""
"7241761","15.3928","0.001","10.6783","0.0007","19.4846","0.0012","90","","96.349","0.002","90","","3183","0.4","295","2","295.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H26 Cd N8 O2 -","- C36 H26 Cd N8 O2 -","- C144 H104 Cd4 N32 O8 -","4","1","","Tómasson, Daníel Arnar; Ghosh, Dipankar; Kurup, M. R. Prathapachandra; Mulvee, Matthew T.; Damodaran, Krishna K.","Evaluating the role of a urea-like motif in enhancing the thermal and mechanical strength of supramolecular gels","CrystEngComm","2021","23","3","617","628","10.1039/D0CE01194K","","","1.54178","CuKα","","0.0299","0.0278","","","0.0674","0.0688","","","","","","1.05","","","","has coordinates","261634","2021-02-04","23:05:20",""
"7241762","29.63","0.002","29.63","0.002","8.9973","0.0007","90","","90","","90","","7899.1","1","150","2","149.98","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C40 H36 Cd2 N8 O8 -","- C40 H36 Cd2 N8 O8 -","- C320 H288 Cd16 N64 O64 -","8","0.5","","Tómasson, Daníel Arnar; Ghosh, Dipankar; Kurup, M. R. Prathapachandra; Mulvee, Matthew T.; Damodaran, Krishna K.","Evaluating the role of a urea-like motif in enhancing the thermal and mechanical strength of supramolecular gels","CrystEngComm","2021","23","3","617","628","10.1039/D0CE01194K","","","0.71073","MoKα","","0.0449","0.0355","","","0.0859","0.0888","","","","","","1.095","","","","has coordinates","261634","2021-02-04","23:05:20",""
"7241763","13.4129","0.0008","18.8966","0.0012","15.1602","0.0009","90","","113.177","0.002","90","","3532.4","0.4","121","2","120.78","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 N12 O8 Zn -","- C36 H30 N12 O8 Zn -","- C144 H120 N48 O32 Zn4 -","4","1","","Tómasson, Daníel Arnar; Ghosh, Dipankar; Kurup, M. R. Prathapachandra; Mulvee, Matthew T.; Damodaran, Krishna K.","Evaluating the role of a urea-like motif in enhancing the thermal and mechanical strength of supramolecular gels","CrystEngComm","2021","23","3","617","628","10.1039/D0CE01194K","","","0.71073","MoKα","","0.0533","0.0338","","","0.0744","0.0794","","","","","","1.018","","","","has coordinates","261634","2021-02-04","23:05:20",""
"7241764","8.759","0.0004","9.44","0.0004","23.545","0.0008","90","","90","","90","","1946.82","0.14","296","2","296.15","","","","","","","","","6","P b c m","-P 2c 2b","57","","ethylenediammonium lead iodide chloride","","- C16 H80 Cl8 I16 N16 Pb4 -","- C16 H80 Cl8 I16 N16 Pb4 -","- C16 H80 Cl8 I16 N16 Pb4 -","1","0.125","","Fazayeli, Monireh; Khatamian, Maasoumeh; Cruciani, Giuseppe","Anomalous inclusion of chloride ions in ethylenediammonium lead iodide turns 1D non-perovskite into a 2D perovskite structure","CrystEngComm","2020","22","46","8063","8071","10.1039/D0CE00184H","","","0.71075","MoKα","","0.1083","0.0676","","","0.1527","0.1745","","","","","","1.063","","","","has coordinates","259740","2020-12-10","03:43:41",""
"7241765","24.878","0.004","6.8029","0.0013","20.937","0.004","90","","114.088","0.009","90","","3234.9","1","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 B F2 N3 -","- C18 H18 B F2 N3 -","- C144 H144 B8 F16 N24 -","8","2","","Ayhan, Mehmet Menaf; Özcan, Emrah; Dedeoglu, Burcu; Chumakov, Yurii; Zorlu, Yunus; Coşut, Bünyemin","Carbon (sp3) tetrel bonding mediated BODIPY supramolecular assembly via unprecedented synergy of Csp3⋯N and Csp3⋯F pair interactions","CrystEngComm","2021","23","2","268","272","10.1039/D0CE01640C","","","0.71073","MoKα","","0.1334","0.0767","","","0.1958","0.2158","","","","","","1.083","","","","has coordinates","261626","2021-02-04","23:03:27",""
"7241766","16.724","0.002","15.302","0.002","7.6345","0.001","90","","90","","90","","1953.7","0.4","119.91","","119.91","","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C18 H16 B F2 I2 N3 -","- C18 H16 B F2 I2 N3 -","- C72 H64 B4 F8 I8 N12 -","4","0.25","","Ayhan, Mehmet Menaf; Özcan, Emrah; Dedeoglu, Burcu; Chumakov, Yurii; Zorlu, Yunus; Coşut, Bünyemin","Carbon (sp3) tetrel bonding mediated BODIPY supramolecular assembly via unprecedented synergy of Csp3⋯N and Csp3⋯F pair interactions","CrystEngComm","2021","23","2","268","272","10.1039/D0CE01640C","","","0.71073","MoKα","","0.0309","0.0298","","","0.079","0.0798","","","","","","1.127","","","","has coordinates,has disorder","261626","2021-02-04","23:03:27",""
"7241767","14.9264","0.0012","11.4332","0.0009","10.9861","0.0008","90","","107.745","0.004","90","","1785.6","0.2","296.15","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 B F2 I N3 -","- C18 H17 B F2 I N3 -","- C72 H68 B4 F8 I4 N12 -","4","1","","Ayhan, Mehmet Menaf; Özcan, Emrah; Dedeoglu, Burcu; Chumakov, Yurii; Zorlu, Yunus; Coşut, Bünyemin","Carbon (sp3) tetrel bonding mediated BODIPY supramolecular assembly via unprecedented synergy of Csp3⋯N and Csp3⋯F pair interactions","CrystEngComm","2021","23","2","268","272","10.1039/D0CE01640C","","","0.71073","MoKα","","0.0345","0.029","","","0.0736","0.0769","","","","","","1.045","","","","has coordinates","261626","2021-02-04","23:03:27",""
"7241768","17.217","0.003","11.2747","0.0018","16.415","0.003","90","","117.459","0.003","90","","2827.4","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H68 Cl4 N4 O10 -","- C64 H68 Cl4 N4 O10 -","- C128 H136 Cl8 N8 O20 -","2","0.5","","Tominaga, Masahide; Hyodo, Tadashi; Hikami, Yuya; Yamaguchi, Kentaro","Solvent-dependent alignments and halogen-related interactions in inclusion crystals of adamantane-based macrocycle with pyridazine moieties","CrystEngComm","2021","23","2","436","442","10.1039/D0CE01576H","","","1.54178","CuKα","","0.0337","0.0312","","","0.0892","0.0998","","","","","","1.15","","","","has coordinates","261613","2021-02-04","23:00:33",""
"7241769","17.1722","0.0016","11.3008","0.001","16.1727","0.0015","90","","117.16","0.002","90","","2792.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H68 Cl4 N4 O7 -","- C64 H68 Cl4 N4 O7 -","- C128 H136 Cl8 N8 O14 -","2","0.5","","Tominaga, Masahide; Hyodo, Tadashi; Hikami, Yuya; Yamaguchi, Kentaro","Solvent-dependent alignments and halogen-related interactions in inclusion crystals of adamantane-based macrocycle with pyridazine moieties","CrystEngComm","2021","23","2","436","442","10.1039/D0CE01576H","","","1.54178","CuKα","","0.0541","0.0463","","","0.1454","0.1665","","","","","","1.154","","","","has coordinates,has disorder","261613","2021-02-04","23:00:33",""
"7241770","16.524","0.0014","13.9309","0.0012","11.3445","0.0009","90","","107.39","0.003","90","","2492.1","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H54 Cl4 N4 O4 -","- C60 H54 Cl4 N4 O4 -","- C120 H108 Cl8 N8 O8 -","2","0.5","","Tominaga, Masahide; Hyodo, Tadashi; Hikami, Yuya; Yamaguchi, Kentaro","Solvent-dependent alignments and halogen-related interactions in inclusion crystals of adamantane-based macrocycle with pyridazine moieties","CrystEngComm","2021","23","2","436","442","10.1039/D0CE01576H","","","1.54178","CuKα","","0.071","0.0643","","","0.1706","0.1824","","","","","","1.07","","","","has coordinates,has disorder","261613","2021-02-04","23:00:33",""
"7241771","13.6415","0.0017","11.1851","0.0014","32.017","0.004","90","","90","","90","","4885.2","1.1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C59 H52 Cl4 N4 O4 -","- C59 H52 Cl4 N4 O4 -","- C236 H208 Cl16 N16 O16 -","4","0.5","","Tominaga, Masahide; Hyodo, Tadashi; Hikami, Yuya; Yamaguchi, Kentaro","Solvent-dependent alignments and halogen-related interactions in inclusion crystals of adamantane-based macrocycle with pyridazine moieties","CrystEngComm","2021","23","2","436","442","10.1039/D0CE01576H","","","1.54178","CuKα","","0.0737","0.0631","","","0.1729","0.1887","","","","","","1.288","","","","has coordinates,has disorder","261613","2021-02-04","23:00:33",""
"7241772","16.397","0.004","13.84","0.003","11.647","0.003","90","","108.793","0.003","90","","2502.2","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H48 Cl8 N4 O4 -","- C54 H48 Cl8 N4 O4 -","- C108 H96 Cl16 N8 O8 -","2","0.5","","Tominaga, Masahide; Hyodo, Tadashi; Hikami, Yuya; Yamaguchi, Kentaro","Solvent-dependent alignments and halogen-related interactions in inclusion crystals of adamantane-based macrocycle with pyridazine moieties","CrystEngComm","2021","23","2","436","442","10.1039/D0CE01576H","","","0.71073","MoKα","","0.0983","0.0552","","","0.148","0.1754","","","","","","1.037","","","","has coordinates,has disorder","261613","2021-02-04","23:00:33",""
"7241773","11.8817","0.0005","13.9512","0.0006","30.8666","0.0013","90","","90","","90","","5116.6","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C54 H46 Cl10 N4 O4 -","- C54 H46 Cl10 N4 O4 -","- C216 H184 Cl40 N16 O16 -","4","1","","Tominaga, Masahide; Hyodo, Tadashi; Hikami, Yuya; Yamaguchi, Kentaro","Solvent-dependent alignments and halogen-related interactions in inclusion crystals of adamantane-based macrocycle with pyridazine moieties","CrystEngComm","2021","23","2","436","442","10.1039/D0CE01576H","","","1.54178","CuKα","","0.1019","0.0584","","","0.1336","0.1537","","","","","","1.03","","","","has coordinates,has disorder","261613","2021-02-04","23:00:33",""
"7241774","23.896","0.008","4.9911","0.0017","13.723","0.004","90","","102.782","0.012","90","","1596.1","0.9","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Methoxy-N'-[(E)-(2-propoxyphenyl)methylidene]benzohydrazide","","- C18 H20 N2 O3 -","- C18 H20 N2 O3 -","- C72 H80 N8 O12 -","4","1","","Ahmed, Muhammad Naeem; Arif, Muneeba; Andleeb, Hina; Ali Shah, Syed Wadood; Arshad, Ifzan; Tahir, Muhammad Nawaz; Rocha, Mariana; Gil, Diego M.","Interplay of weak noncovalent interactions in alkoxybenzylidene derivatives of benzohydrazide and acetohydrazide: a combined experimental and theoretical investigation and lipoxygenase inhibition (LOX) studies","CrystEngComm","2021","23","4","955","971","10.1039/D0CE01402H","","","0.71073","MoKα","","0.1123","0.0581","","","0.1165","0.1382","","","","","","1.008","","","","has coordinates","261604","2021-02-04","22:58:52",""
"7241775","9.695","0.008","24.699","0.009","9.476","0.007","90","","90","","90","","2269","3","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","(E)-N'-(4-(?nyloxy)benzylidene)-2-phenylacetohydrazide","","- C24 H32 N2 O2 -","- C24 H32 N2 O2 -","- C96 H128 N8 O8 -","4","1","","Ahmed, Muhammad Naeem; Arif, Muneeba; Andleeb, Hina; Ali Shah, Syed Wadood; Arshad, Ifzan; Tahir, Muhammad Nawaz; Rocha, Mariana; Gil, Diego M.","Interplay of weak noncovalent interactions in alkoxybenzylidene derivatives of benzohydrazide and acetohydrazide: a combined experimental and theoretical investigation and lipoxygenase inhibition (LOX) studies","CrystEngComm","2021","23","4","955","971","10.1039/D0CE01402H","","","0.71073","MoKα","","0.1398","0.0542","","","0.1035","0.1303","","","","","","1.005","","","","has coordinates","287885","2023-11-30","13:18:06",""
"7241776","12.2984","0.0006","13.0766","0.0007","13.096","0.0007","74.6019","0.0008","67.9382","0.0008","87.6692","0.0008","1877.72","0.17","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 Cu2 I4 O10 -","- C32 H28 Cu2 I4 O10 -","- C64 H56 Cu4 I8 O20 -","2","1","","Strothmann, Robert; van Terwingen, Steven; Kalf, Irmgard; Englert, Ulli","Systematic screening for k type phase transitions ‒ general approach and positive example for a binuclear Cu(ii) paddlewheel structure","CrystEngComm","2021","23","4","841","849","10.1039/D0CE01559H","","","0.71073","MoKα","","0.0729","0.0396","","","0.0905","0.1048","","","","","","1.011","","","","has coordinates,has disorder","261602","2021-02-04","22:58:37",""
"7241777","12.311","0.0007","13.0867","0.0007","13.1261","0.0007","74.639","0.0009","67.9332","0.0008","87.7934","0.0009","1885.41","0.18","220","2","220","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 Cu2 I4 O10 -","- C32 H28 Cu2 I4 O10 -","- C64 H56 Cu4 I8 O20 -","2","1","","Strothmann, Robert; van Terwingen, Steven; Kalf, Irmgard; Englert, Ulli","Systematic screening for k type phase transitions ‒ general approach and positive example for a binuclear Cu(ii) paddlewheel structure","CrystEngComm","2021","23","4","841","849","10.1039/D0CE01559H","","","0.71073","MoKα","","0.0895","0.0431","","","0.0983","0.1235","","","","","","1.001","","","","has coordinates,has disorder","261602","2021-02-04","22:58:41",""
"7241778","6.5823","0.0017","11.601","0.003","13.001","0.003","91.653","0.004","103.841","0.004","99.765","0.005","947.5","0.4","240","2","240","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 Cu2 I4 O10 -","- C32 H28 Cu2 I4 O10 -","- C32 H28 Cu2 I4 O10 -","1","0.5","","Strothmann, Robert; van Terwingen, Steven; Kalf, Irmgard; Englert, Ulli","Systematic screening for k type phase transitions ‒ general approach and positive example for a binuclear Cu(ii) paddlewheel structure","CrystEngComm","2021","23","4","841","849","10.1039/D0CE01559H","","","0.71073","MoKα","","0.1069","0.0464","","","0.0777","0.0982","","","","","","0.929","","","","has coordinates,has disorder","261602","2021-02-04","22:58:41",""
"7241779","12.2327","0.0007","13.0214","0.0007","13.0009","0.0007","74.4145","0.0018","68.2545","0.0017","87.4839","0.0018","1849.19","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 Cu2 I4 O10 -","- C32 H28 Cu2 I4 O10 -","- C64 H56 Cu4 I8 O20 -","2","1","","Strothmann, Robert; van Terwingen, Steven; Kalf, Irmgard; Englert, Ulli","Systematic screening for k type phase transitions ‒ general approach and positive example for a binuclear Cu(ii) paddlewheel structure","CrystEngComm","2021","23","4","841","849","10.1039/D0CE01559H","","","0.71073","MoKα","","0.1059","0.048","","","0.0941","0.1178","","","","","","1.025","","","","has coordinates","261602","2021-02-04","22:58:41",""
"7241780","6.608","0.002","11.633","0.003","13.025","0.005","91.803","0.008","104.018","0.006","99.843","0.017","954.3","0.5","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 Cu2 I4 O10 -","- C32 H28 Cu2 I4 O10 -","- C32 H28 Cu2 I4 O10 -","1","0.5","","Strothmann, Robert; van Terwingen, Steven; Kalf, Irmgard; Englert, Ulli","Systematic screening for k type phase transitions ‒ general approach and positive example for a binuclear Cu(ii) paddlewheel structure","CrystEngComm","2021","23","4","841","849","10.1039/D0CE01559H","","","0.71073","MoKα","","0.063","0.0395","","","0.0869","0.0996","","","","","","1.044","","","","has coordinates,has disorder","261602","2021-02-04","22:58:41",""
"7241781","12.3254","0.0009","13.0852","0.0009","13.141","0.0009","74.6086","0.0012","68.004","0.0012","87.9267","0.0012","1889.9","0.2","230","2","230","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 Cu2 I4 O10 -","- C32 H28 Cu2 I4 O10 -","- C64 H56 Cu4 I8 O20 -","2","1","","Strothmann, Robert; van Terwingen, Steven; Kalf, Irmgard; Englert, Ulli","Systematic screening for k type phase transitions ‒ general approach and positive example for a binuclear Cu(ii) paddlewheel structure","CrystEngComm","2021","23","4","841","849","10.1039/D0CE01559H","","","0.71073","MoKα","","0.174","0.0564","","","0.0819","0.1114","","","","","","1.017","","","","has coordinates,has disorder","261602","2021-02-04","22:58:41",""
"7241782","6.5859","0.0003","11.5949","0.0005","13.0118","0.0006","91.61","0.002","103.887","0.002","99.737","0.002","948.23","0.07","250","2","250","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 Cu2 I4 O10 -","- C32 H28 Cu2 I4 O10 -","- C32 H28 Cu2 I4 O10 -","1","0.5","","Strothmann, Robert; van Terwingen, Steven; Kalf, Irmgard; Englert, Ulli","Systematic screening for k type phase transitions ‒ general approach and positive example for a binuclear Cu(ii) paddlewheel structure","CrystEngComm","2021","23","4","841","849","10.1039/D0CE01559H","","","0.71073","MoKα","","0.0556","0.0383","","","0.082","0.0916","","","","","","1.013","","","","has coordinates,has disorder","261602","2021-02-04","22:58:41",""
"7241783","12.3144","0.0009","13.0777","0.0009","13.1092","0.0009","74.5741","0.0012","68.0058","0.0011","87.79","0.0012","1882.6","0.2","210","2","210","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 Cu2 I4 O10 -","- C32 H28 Cu2 I4 O10 -","- C64 H56 Cu4 I8 O20 -","2","1","","Strothmann, Robert; van Terwingen, Steven; Kalf, Irmgard; Englert, Ulli","Systematic screening for k type phase transitions ‒ general approach and positive example for a binuclear Cu(ii) paddlewheel structure","CrystEngComm","2021","23","4","841","849","10.1039/D0CE01559H","","","0.71073","MoKα","","0.1581","0.0534","","","0.0889","0.1232","","","","","","0.914","","","","has coordinates,has disorder","261602","2021-02-04","22:58:41",""
"7241784","16.1282","0.0012","8.4944","0.0006","16.6337","0.0012","90","","105.159","0.002","90","","2199.5","0.3","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 Eu O11 -","- C23 H20 Eu O11 -","- C92 H80 Eu4 O44 -","4","1","","Wang, Jiao-Min; Zhang, Peng-Feng; Cheng, Jian-Guo; Wang, Yao; Ma, Lu-Lu; Yang, Guo-Ping; Wang, Yao-Yu","Luminescence tuning and sensing properties of stable 2D lanthanide metal‒organic frameworks built with symmetrical flexible tricarboxylic acid ligands containing ether oxygen bonds","CrystEngComm","2021","23","2","411","418","10.1039/D0CE01528H","","","0.71073","MoKα","","0.0379","0.0295","","","0.0741","0.0759","","","","","","1.013","","","","has coordinates","261620","2021-02-04","23:02:10",""
"7241785","16.089","0.003","8.4482","0.0014","16.397","0.003","90","","105.373","0.005","90","","2149","0.7","150","2","149.99","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 Dy O11 -","- C23 H20 Dy O11 -","- C92 H80 Dy4 O44 -","4","1","","Wang, Jiao-Min; Zhang, Peng-Feng; Cheng, Jian-Guo; Wang, Yao; Ma, Lu-Lu; Yang, Guo-Ping; Wang, Yao-Yu","Luminescence tuning and sensing properties of stable 2D lanthanide metal‒organic frameworks built with symmetrical flexible tricarboxylic acid ligands containing ether oxygen bonds","CrystEngComm","2021","23","2","411","418","10.1039/D0CE01528H","","","0.71073","MoKα","","0.0254","0.0219","","","0.0474","0.0491","","","","","","1.093","","","","has coordinates","261620","2021-02-04","23:02:10",""
"7241786","16.108","0.003","8.4565","0.0017","16.414","0.003","90","","105.37","0.006","90","","2155.9","0.7","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Tb","","- C23 H20 O11 Tb -","- C23 H20 O11 Tb -","- C92 H80 O44 Tb4 -","4","1","","Wang, Jiao-Min; Zhang, Peng-Feng; Cheng, Jian-Guo; Wang, Yao; Ma, Lu-Lu; Yang, Guo-Ping; Wang, Yao-Yu","Luminescence tuning and sensing properties of stable 2D lanthanide metal‒organic frameworks built with symmetrical flexible tricarboxylic acid ligands containing ether oxygen bonds","CrystEngComm","2021","23","2","411","418","10.1039/D0CE01528H","","","0.71073","MoKα","","0.0192","0.0169","","","0.0391","0.04","","","","","","1.079","","","","has coordinates","261620","2021-02-04","23:02:10",""
"7241791","28.8613","0.0002","28.8613","0.0002","47.8704","0.0004","90","","90","","120","","34532.6","0.4","125","","125","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C40 H21 N4 O16 Sc3 -","- C40 H20 N4 O16 Sc3 -","- C720 H360 N72 O288 Sc54 -","18","0.5","","Prasad, Ram R. R.; Pleass, Charlotte; Rigg, Amber L.; Cordes, David B.; Lozinska, Magdalena M.; Georgieva, Veselina M.; Hoffmann, Frank; Slawin, Alexandra M. Z.; Wright, Paul A.","Isoreticular chemistry of scandium analogues of the multicomponent metal‒organic framework MIL-142","CrystEngComm","2021","23","4","804","812","10.1039/D0CE01593H","","","1.54187","CuKα","","0.0667","0.0559","","","0.1613","0.1701","","","","","","1.031","","","","has coordinates","261611","2021-02-04","23:00:10",""
"7241792","28.817","0.0007","28.817","0.0007","47.9423","0.0007","90","","90","","120","","34478.4","1.3","125","","125","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C40 H20 N5 O18 Sc3 -","- C40 H19 N5 O18 Sc3 -","- C720 H342 N90 O324 Sc54 -","18","0.5","","Prasad, Ram R. R.; Pleass, Charlotte; Rigg, Amber L.; Cordes, David B.; Lozinska, Magdalena M.; Georgieva, Veselina M.; Hoffmann, Frank; Slawin, Alexandra M. Z.; Wright, Paul A.","Isoreticular chemistry of scandium analogues of the multicomponent metal‒organic framework MIL-142","CrystEngComm","2021","23","4","804","812","10.1039/D0CE01593H","","","1.54187","CuKα","","0.1046","0.0653","","","0.184","0.2103","","","","","","1.008","","","","has coordinates,has disorder","261611","2021-02-04","23:00:11",""
"7241793","28.8727","0.0019","28.8727","0.0019","47.845","0.003","90","","90","","120","","34542","4","173","","173","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C40 H22 N5 O16 Sc3 -","- C40 H21 N5 O16 Sc3 -","- C720 H378 N90 O288 Sc54 -","18","0.5","","Prasad, Ram R. R.; Pleass, Charlotte; Rigg, Amber L.; Cordes, David B.; Lozinska, Magdalena M.; Georgieva, Veselina M.; Hoffmann, Frank; Slawin, Alexandra M. Z.; Wright, Paul A.","Isoreticular chemistry of scandium analogues of the multicomponent metal‒organic framework MIL-142","CrystEngComm","2021","23","4","804","812","10.1039/D0CE01593H","","","1.54187","CuKα","","0.0665","0.0566","","","0.1736","0.1842","","","","","","1.076","","","","has coordinates,has disorder","261611","2021-02-04","23:00:11",""
"7241794","31.808","0.0016","31.808","0.0016","16.9754","0.0008","90","","90","","120","","14873.8","1.3","173","","173","","","","","","","","","5","P -6 2 c","P -6c -2c","190","","","","- C58 H38 N O16 Sc3 -","- C58 H38 N O16 Sc3 -","- C348 H228 N6 O96 Sc18 -","6","0.5","","Prasad, Ram R. R.; Pleass, Charlotte; Rigg, Amber L.; Cordes, David B.; Lozinska, Magdalena M.; Georgieva, Veselina M.; Hoffmann, Frank; Slawin, Alexandra M. Z.; Wright, Paul A.","Isoreticular chemistry of scandium analogues of the multicomponent metal‒organic framework MIL-142","CrystEngComm","2021","23","4","804","812","10.1039/D0CE01593H","","","1.54187","CuKα","","0.0414","0.0405","","","0.1114","0.1124","","","","","","1.037","","","","has coordinates","261611","2021-02-04","23:00:11",""
"7241795","28.7845","0.0015","28.7845","0.0015","48.405","0.003","90","","90","","120","","34733","3","125","","125","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C42.67 H23.67 N1.33 O16 Sc3 -","- C42.6667 H22.6667 N1.3333 O16 Sc3 -","- C768.001 H408.001 N23.9994 O288 Sc54 -","18","0.5","","Prasad, Ram R. R.; Pleass, Charlotte; Rigg, Amber L.; Cordes, David B.; Lozinska, Magdalena M.; Georgieva, Veselina M.; Hoffmann, Frank; Slawin, Alexandra M. Z.; Wright, Paul A.","Isoreticular chemistry of scandium analogues of the multicomponent metal‒organic framework MIL-142","CrystEngComm","2021","23","4","804","812","10.1039/D0CE01593H","","","1.54184","CuKα","","0.224","0.1208","","","0.3273","0.4338","","","","","","0.919","","","","has coordinates,has disorder","261611","2021-02-04","23:00:11",""
"7241796","6.28","0.0013","11.263","0.002","13.232","0.003","100.71","0.03","96.26","0.03","96.09","0.03","906.5","0.3","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C42 H46 N2 O8 -","- C42 H46 N2 O8 -","- C42 H46 N2 O8 -","1","0.5","","Chahine, Ali Y.; Turner, David R.; Batten, Stuart R.","Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores","CrystEngComm","2021","23","3","569","590","10.1039/D0CE01620A","","","0.71073","Synchrotron","","0.0492","0.0481","","","0.1332","0.1344","","","","","","1.07","","","","has coordinates","261636","2021-02-04","23:06:12",""
"7241797","6.3","0.0013","15.21","0.003","17.39","0.004","112.89","0.03","91.22","0.03","93.74","0.03","1529.9","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C74 H82 N4 O10 -","- C74 H82 N4 O10 -","- C74 H82 N4 O10 -","1","0.5","","Chahine, Ali Y.; Turner, David R.; Batten, Stuart R.","Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores","CrystEngComm","2021","23","3","569","590","10.1039/D0CE01620A","","","0.71073","Synchrotron","","0.1191","0.1015","","","0.2749","0.2934","","","","","","1.077","","","","has coordinates,has disorder","261636","2021-02-04","23:06:12",""
"7241798","8.2759","0.0002","11.7985","0.0002","13.6442","0.0003","85.64","0.002","75.452","0.002","86.886","0.002","1284.96","0.05","122.99","0.1","122.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C49 H70 N3 O17.5 -","- C49 H63 N3 O17.5 -","- C49 H63 N3 O17.5 -","1","0.5","","Chahine, Ali Y.; Turner, David R.; Batten, Stuart R.","Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores","CrystEngComm","2021","23","3","569","590","10.1039/D0CE01620A","","x-ray","1.54184","CuKα","","0.0871","0.078","","","0.2317","0.2445","","","","","","1.075","","","","has coordinates,has disorder","261636","2021-02-04","23:06:12",""
"7241799","7.67","0.0002","8.6982","0.0003","16.1026","0.0003","97.309","0.002","100.27","0.002","113.335","0.003","947.06","0.05","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H46 N2 O8 -","- C46 H46 N2 O8 -","- C46 H46 N2 O8 -","1","0.5","","Chahine, Ali Y.; Turner, David R.; Batten, Stuart R.","Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores","CrystEngComm","2021","23","3","569","590","10.1039/D0CE01620A","","","1.54184","CuKα","","0.0587","0.046","","","0.1251","0.1331","","","","","","1.066","","","","has coordinates","261636","2021-02-04","23:06:12",""
"7241800","33.9304","0.0005","12.9471","0.0002","11.1617","0.0002","90","","91.193","0.001","90","","4902.28","0.14","123.01","0.1","123.01","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H55 Cd2 N3 O11 -","- C50 H55 Cd2 N3 O11 -","- C200 H220 Cd8 N12 O44 -","4","0.5","","Chahine, Ali Y.; Turner, David R.; Batten, Stuart R.","Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores","CrystEngComm","2021","23","3","569","590","10.1039/D0CE01620A","","","1.54184","CuKα","","0.0498","0.0443","","","0.1199","0.124","","","","","","1.053","","","","has coordinates,has disorder","261636","2021-02-04","23:06:12",""
"7241801","26.397","0.005","11.976","0.002","29.443","0.006","90","","97.51","0.03","90","","9228","3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H50 Cd2 N2 O8 -","- C62 H50 Cd2 N2 O8 -","- C248 H200 Cd8 N8 O32 -","4","1","","Chahine, Ali Y.; Turner, David R.; Batten, Stuart R.","Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores","CrystEngComm","2021","23","3","569","590","10.1039/D0CE01620A","","","0.95372","Synchrotron","","0.1289","0.1017","","","0.2892","0.3192","","","","","","1.079","","","","has coordinates","261636","2021-02-04","23:06:12",""
"7241802","34.247","0.007","13.083","0.003","10.812","0.002","90","","91.17","0.03","90","","4843.3","1.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H55 Mn2 N3 O11 -","- C50 H55 Mn2 N3 O11 -","- C200 H220 Mn8 N12 O44 -","4","0.5","","Chahine, Ali Y.; Turner, David R.; Batten, Stuart R.","Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores","CrystEngComm","2021","23","3","569","590","10.1039/D0CE01620A","","","0.71073","Synchrotron","","0.0963","0.0733","","","0.2167","0.2449","","","","","","1.05","","","","has coordinates,has disorder","261636","2021-02-04","23:06:12",""
"7241803","9.469","0.0019","10.395","0.002","10.692","0.002","98.87","0.03","96.95","0.03","96.11","0.03","1023.8","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H50 Cd2 Cl2 N2 O15 -","- C38 H50 Cd2 Cl2 N2 O15 -","- C38 H50 Cd2 Cl2 N2 O15 -","1","0.5","","Chahine, Ali Y.; Turner, David R.; Batten, Stuart R.","Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores","CrystEngComm","2021","23","3","569","590","10.1039/D0CE01620A","","","0.71073","Synchrotron","","0.0288","0.0281","","","0.0721","0.0726","","","","","","1.125","","","","has coordinates","261636","2021-02-04","23:06:12",""
"7241804","7.61","0.0015","8.14","0.0016","19.08","0.004","92.58","0.03","97.1","0.03","97.29","0.03","1161.2","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C62 H54 N2 O8 -","- C62 H54 N2 O8 -","- C62 H54 N2 O8 -","1","0.5","","Chahine, Ali Y.; Turner, David R.; Batten, Stuart R.","Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores","CrystEngComm","2021","23","3","569","590","10.1039/D0CE01620A","","","0.71073","Synchrotron","","0.0679","0.0662","","","0.1874","0.1899","","","","","","1.054","","","","has coordinates","261636","2021-02-04","23:06:12",""
"7241805","10.508","0.002","14.186","0.003","14.263","0.003","111.15","0.03","97.39","0.03","90.01","0.03","1964","0.8","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C41.5 H47.5 N3.5 Na O9.5 Zn -","- C41.5 H42 N3.5 Na O9.5 Zn -","- C83 H84 N7 Na2 O19 Zn2 -","2","1","","Chahine, Ali Y.; Turner, David R.; Batten, Stuart R.","Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores","CrystEngComm","2021","23","3","569","590","10.1039/D0CE01620A","","","0.71073","Synchrotron","","0.1048","0.0853","","","0.2361","0.2662","","","","","","1.116","","","","has coordinates,has disorder","261636","2021-02-04","23:06:12",""
"7241806","22.93","0.005","17.33","0.004","8.03","0.0016","90","","95.24","0.03","90","","3177.6","1.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H72 Cd2 N4 O14 -","- C68 H72 Cd2 N4 O14 -","- C136 H144 Cd4 N8 O28 -","2","0.5","","Chahine, Ali Y.; Turner, David R.; Batten, Stuart R.","Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores","CrystEngComm","2021","23","3","569","590","10.1039/D0CE01620A","","","0.710757","Synchrotron","","0.0371","0.032","","","0.0808","0.0839","","","","","","1.061","","","","has coordinates","261636","2021-02-04","23:06:12",""
"7241807","20.8995","0.0002","21.0392","0.0002","32.8802","0.0003","90","","94.498","0.001","90","","14413.2","0.2","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43.25 H49.25 N3.75 O11.75 Zn2.5 -","- C43.25 H49.25 N3.75 O11.75 Zn2.5 -","- C346 H394 N30 O94 Zn20 -","8","1","","Chahine, Ali Y.; Turner, David R.; Batten, Stuart R.","Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores","CrystEngComm","2021","23","3","569","590","10.1039/D0CE01620A","","","1.54184","CuKα","","0.0723","0.0662","","","0.2134","0.2197","","","","","","1.081","","","","has coordinates","261636","2021-02-04","23:06:12",""
"7241808","12.159","0.002","31.183","0.006","12.689","0.003","90","","90","","90","","4811.1","1.7","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C46 H44 Cu2 N2 O10 -","- C46 H40 Cu2 N2 O10 -","- C184 H160 Cu8 N8 O40 -","4","0.5","","Chahine, Ali Y.; Turner, David R.; Batten, Stuart R.","Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores","CrystEngComm","2021","23","3","569","590","10.1039/D0CE01620A","","","0.71073","Synchrotron","","0.2624","0.1657","","","0.4227","0.4812","","","","","","1.309","","","","has coordinates,has disorder","261636","2021-02-04","23:06:12",""
"7241809","20.898","0.004","21.113","0.004","32.881","0.007","90","","95.06","0.03","90","","14451","5","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40.25 H42.25 Co2.5 N2.75 O10.75 -","- C40.25 H42.25 Co2.5 N2.75 O10.75 -","- C322 H338 Co20 N22 O86 -","8","1","","Chahine, Ali Y.; Turner, David R.; Batten, Stuart R.","Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores","CrystEngComm","2021","23","3","569","590","10.1039/D0CE01620A","","","0.71073","Synchrotron","","0.1368","0.1","","","0.3111","0.352","","","","","","1.255","","","","has coordinates,has disorder","261636","2021-02-04","23:06:12",""
"7241810","23.24","0.005","30.59","0.006","33.17","0.007","74.89","0.03","77.68","0.03","86.47","0.03","22241","9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H50 N2 O8.67 Zn2.67 -","- C62 H50 N2 O8.66667 Zn2.66667 -","- C372 H300 N12 O52 Zn16 -","6","3","","Chahine, Ali Y.; Turner, David R.; Batten, Stuart R.","Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores","CrystEngComm","2021","23","3","569","590","10.1039/D0CE01620A","","","0.71073","Synchrotron","","0.1579","0.1349","","","0.3863","0.4179","","","","","","1.794","","","","has coordinates,has disorder","261636","2021-02-04","23:06:12",""
"7241811","6.196","0.0012","14.364","0.003","15.756","0.003","79.97","0.03","79.48","0.03","80.88","0.03","1346","0.5","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H50 N4 O12 Zn3 -","- C44 H50 N4 O12 Zn3 -","- C44 H50 N4 O12 Zn3 -","1","0.5","","Chahine, Ali Y.; Turner, David R.; Batten, Stuart R.","Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores","CrystEngComm","2021","23","3","569","590","10.1039/D0CE01620A","","","0.71073","Synchrotron","","0.0947","0.0846","","","0.2479","0.2613","","","","","","1.091","","","","has coordinates,has disorder","261636","2021-02-04","23:06:12",""
"7241812","16.386","0.003","11.425","0.002","26.726","0.005","90","","100.53","0.03","90","","4919.1","1.6","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H24 Cu N2 O5 -","- C22 H24 Cu N2 O5 -","- C176 H192 Cu8 N16 O40 -","8","1","","Chahine, Ali Y.; Turner, David R.; Batten, Stuart R.","Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores","CrystEngComm","2021","23","3","569","590","10.1039/D0CE01620A","","","0.710877","Synchrotron","","0.1717","0.1425","","","0.3401","0.373","","","","","","1.135","","","","has coordinates","261636","2021-02-04","23:06:12",""
"7241813","37.413","0.008","12.588","0.003","11.684","0.002","90","","103.43","0.03","90","","5352","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C51 H58 N4 O10 Zn2 -","- C51 H52 N4 O10 Zn2 -","- C204 H208 N16 O40 Zn8 -","4","0.5","","Chahine, Ali Y.; Turner, David R.; Batten, Stuart R.","Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores","CrystEngComm","2021","23","3","569","590","10.1039/D0CE01620A","","","0.710752","Synchrotron","","0.1071","0.0991","","","0.2857","0.2965","","","","","","1.286","","","","has coordinates,has disorder","261636","2021-02-04","23:06:12",""
"7241814","32.349","0.007","12.005","0.002","26.75","0.005","90","","100.76","0.03","90","","10206","4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42.5 H44.5 Co K2 N3.5 O9.5 -","- C42.5 H44.5 Co K2 N3.5 O9.5 -","- C340 H356 Co8 K16 N28 O76 -","8","1","","Chahine, Ali Y.; Turner, David R.; Batten, Stuart R.","Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores","CrystEngComm","2021","23","3","569","590","10.1039/D0CE01620A","","","0.71073","Synchrotron","","0.1514","0.1093","","","0.3293","0.3634","","","","","","1.223","","","","has coordinates,has disorder","261636","2021-02-04","23:06:12",""
"7241815","12.33","0.003","18.33","0.004","18.92","0.004","66.42","0.03","77.02","0.03","74.7","0.03","3745.7","1.7","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H43.33 N3.33 Na1.33 O9.33 Zr0.67 -","- C42 H43.3333 N3.33333 Na1.33333 O9.33333 Zr0.666667 -","- C126 H130 N10 Na4 O28 Zr2 -","3","1.5","","Chahine, Ali Y.; Turner, David R.; Batten, Stuart R.","Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores","CrystEngComm","2021","23","3","569","590","10.1039/D0CE01620A","","","0.71073","Synchrotron","","0.0755","0.0663","","","0.1925","0.2055","","","","","","1.051","","","","has coordinates","261636","2021-02-04","23:06:12",""
"7241816","29.68","0.006","30.61","0.006","13.46","0.003","90","","98.91","0.03","90","","12081","4","100","","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C43 H51 N3 O18 Zr3 -","- C43 H51 N3 O18 Zr3 -","- C172 H204 N12 O72 Zr12 -","4","0.5","","Chahine, Ali Y.; Turner, David R.; Batten, Stuart R.","Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores","CrystEngComm","2021","23","3","569","590","10.1039/D0CE01620A","","","0.71073","Synchrotron","","0.0859","0.069","","","0.2152","0.2261","","","","","","1.116","","","","has coordinates,has disorder","261636","2021-02-04","23:06:12",""
"7241817","9.5466","0.0003","17.6942","0.0006","20.2248","0.0007","90","","101.2","0.002","90","","3351.3","0.19","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H56 Cl4 Cu4 N8 O28 -","- C56 H56 Cl4 Cu4 N8 O28 -","- C112 H112 Cl8 Cu8 N16 O56 -","2","0.5","","Akhtaruzzaman,; Mohammad, Mukti; Khan, Samim; Dutta, Basudeb; Maity, Suvendu; Naaz, Sanobar; Alam, Seikh Mafiz; Ghosh, Prasanta; Islam, Md. Maidul; Mir, Mohammad Hedayetullah","One-pot crystallization of two 1,4-cyclohexanedicarboxylate-based tetranuclear Cu(ii) compounds and their DNA binding affinities","CrystEngComm","2021","23","5","1091","1098","10.1039/D0CE01734E","","","0.71073","MoKα","","0.0759","0.0533","","","0.1524","0.1787","","","","","","1.052","","","","has coordinates","262563","2021-03-05","01:44:35",""
"7241818","9.3595","0.0003","12.4592","0.0004","14.5015","0.0004","87.821","0.001","72.827","0.001","68.258","0.001","1495.86","0.08","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H56 Cl2 Cu4 N8 O20 -","- C56 H56 Cl2 Cu4 N8 O20 -","- C56 H56 Cl2 Cu4 N8 O20 -","1","0.5","","Akhtaruzzaman,; Mohammad, Mukti; Khan, Samim; Dutta, Basudeb; Maity, Suvendu; Naaz, Sanobar; Alam, Seikh Mafiz; Ghosh, Prasanta; Islam, Md. Maidul; Mir, Mohammad Hedayetullah","One-pot crystallization of two 1,4-cyclohexanedicarboxylate-based tetranuclear Cu(ii) compounds and their DNA binding affinities","CrystEngComm","2021","23","5","1091","1098","10.1039/D0CE01734E","","","0.71073","MoKα","","0.0641","0.0463","","","0.1246","0.1356","","","","","","1.047","","","","has coordinates","262563","2021-03-05","01:44:35",""
"7241819","12.9186","0.0005","13.6147","0.0006","21.739","0.0008","89.925","0.003","81.101","0.003","76.021","0.003","3663","0.3","100","2","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C71 H78 N O35 -","- C71 H63 N O35 -","- C142 H126 N2 O70 -","2","1","","Butkiewicz, Helena; Kosiorek, Sandra; Sashuk, Volodymyr; Danylyuk, Oksana","Unveiling the structural features of the host‒guest complexes of carboxylated pillar[5]arene with viologen derivatives","CrystEngComm","2021","23","5","1075","1082","10.1039/D0CE01579B","","","1.54184","CuKα","","0.12","0.1055","","","0.2839","0.2965","","","","","","0.993","","","","has coordinates,has disorder","262569","2021-03-05","01:45:45",""
"7241820","35.528","0.0003","12.9487","0.0001","33.1933","0.0003","90","","105.019","0.001","90","","14748.7","0.2","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C66 H81 Mg N2 O41.5 -","- C66 H58 Mg N2 O41.5 -","- C528 H464 Mg8 N16 O332 -","8","1","","Butkiewicz, Helena; Kosiorek, Sandra; Sashuk, Volodymyr; Danylyuk, Oksana","Unveiling the structural features of the host‒guest complexes of carboxylated pillar[5]arene with viologen derivatives","CrystEngComm","2021","23","5","1075","1082","10.1039/D0CE01579B","","","1.54184","CuKα","","0.1045","0.0994","","","0.2833","0.289","","","","","","0.967","","","","has coordinates,has disorder","262569","2021-03-05","01:45:45",""
"7241821","21.8515","0.0014","12.375","0.0006","27.435","0.002","90","","112.883","0.009","90","","6834.9","0.9","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C69 H79 N2 O36.5 -","- C69 H67.11 N2 O36.5 -","- C276 H268.44 N8 O146 -","4","1","","Butkiewicz, Helena; Kosiorek, Sandra; Sashuk, Volodymyr; Danylyuk, Oksana","Unveiling the structural features of the host‒guest complexes of carboxylated pillar[5]arene with viologen derivatives","CrystEngComm","2021","23","5","1075","1082","10.1039/D0CE01579B","","","1.54184","CuKα","","0.1278","0.0716","","","0.1803","0.2038","","","","","","0.881","","","","has coordinates,has disorder","262569","2021-03-05","01:45:45",""
"7241822","21.4549","0.0004","12.5308","0.0001","26.2757","0.0004","90","","111.934","0.002","90","","6552.8","0.19","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C67 H72.54 N2 O35.27 -","- C66.992 H60.57 N2 O35.373 -","- C267.968 H242.28 N8 O141.492 -","4","1","","Butkiewicz, Helena; Kosiorek, Sandra; Sashuk, Volodymyr; Danylyuk, Oksana","Unveiling the structural features of the host‒guest complexes of carboxylated pillar[5]arene with viologen derivatives","CrystEngComm","2021","23","5","1075","1082","10.1039/D0CE01579B","","","1.54184","CuKα","","0.0938","0.0695","","","0.1993","0.2187","","","","","","1.065","","","","has coordinates,has disorder","262569","2021-03-05","01:45:45",""
"7241823","36.336","0.004","36.336","0.004","36.336","0.004","90","","90","","90","","47975","9","100","2","100","2","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- C114 H135 Cu12 N24 O36 -","- C114 H135 Cu12 N24 O36 -","- C912 H1080 Cu96 N192 O288 -","8","0.333333","","Dinca, Alina S.; Dogaru, Andreea; Ion, Adrian E.; Nica, Simona; Dumitrescu, Dan; Shova, Sergiu; Lloret, Francesc; Julve, Miguel; Andruh, Marius","An original 3D coordination polymer constructed from trinuclear nodes and tetracarboxylato spacers","CrystEngComm","2021","23","6","1332","1335","10.1039/D0CE01667E","","","0.7","synchrotron","","0.0753","0.0673","","","0.1939","0.2087","","","","","","1.03","","","","has coordinates,has disorder","262583","2021-03-05","01:48:10",""
"7241824","5.3224","0.00025","12.94547","0.00019","4.53602","0.00017","90","","94.289","0.0021","90","","311.661","0.019","293","","293","","100000","5000","100000","5000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.02807","","0.1101","","0.815","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241825","5.2379","0.0004","12.75457","0.00017","4.49625","0.00022","90","","94.413","0.003","90","","299.49","0.03","293","","293","","960000","50000","960000","50000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.02508","","0.10166","","0.718","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241826","5.1081","0.0005","12.49492","0.00017","4.4239","0.0003","90","","94.591","0.005","90","","281.45","0.03","293","","293","","3100000","500000","3100000","500000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.02896","","0.40688","","0.826","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241827","5.1421","0.0005","12.56168","0.00022","4.4451","0.0003","90","","94.552","0.005","90","","286.22","0.03","293","","293","","2420000","50000","2420000","50000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.03401","","0.76173","","0.975","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241828","5.0748","0.0006","12.42717","0.00021","4.4031","0.0004","90","","94.604","0.006","90","","276.79","0.04","293","","293","","3740000","60000","3740000","60000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.04184","","0.1435","","1.217","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241829","4.9826","0.0008","12.26098","0.00024","4.3436","0.0005","90","","94.581","0.008","90","","264.51","0.05","293","","293","","5930000","50000","5930000","50000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.04","","0.2754","","1.174","","","","","","","has coordinates","288267","2023-12-12","21:40:12",""
"7241830","5.0087","0.0006","12.31139","0.0002","4.3629","0.0004","90","","94.593","0.006","90","","268.17","0.04","293","","293","","5170000","50000","5170000","50000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.03274","","0.26562","","0.969","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241831","4.6166","0.0004","11.5551","0.0005","4.0512","0.00028","90","","94.807","0.003","90","","215.35","0.03","293","","293","","25270000","50000","25270000","50000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.01588","","0.04166","","0.477","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241832","4.8892","0.0005","12.10248","0.0002","4.2841","0.0003","90","","94.569","0.004","90","","252.69","0.03","293","","293","","8730000","50000","8730000","50000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.02792","","0.18398","","0.811","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241833","4.8627","0.0005","12.05705","0.00019","4.2663","0.0003","90","","94.603","0.004","90","","249.33","0.03","293","","293","","9810000","50000","9810000","50000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.0256","","0.27269","","0.742","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241834","4.7015","0.0004","11.7503","0.0004","4.1387","0.0003","90","","94.764","0.004","90","","227.85","0.03","293","","293","","18570000","50000","18570000","50000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.00826","","0.05433","","0.243","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241835","4.8883","0.0003","12.1119","0.0005","4.28963","0.00021","90","","94.6135","0.0025","90","","253.15","0.02","293","","293","","8630000","50000","8630000","50000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.01136","","0.04497","","0.325","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241836","5.1811","0.0004","12.63631","0.00018","4.46609","0.00028","90","","94.516","0.004","90","","291.49","0.03","293","","293","","1750000","50000","1750000","50000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.02743","","0.26726","","0.782","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241837","4.5713","0.0005","11.4696","0.0007","4.007","0.0003","90","","94.792","0.004","90","","209.36","0.03","293","","293","","29910000","50000","29910000","50000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.00979","","0.03785","","0.278","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241838","5.07859","0.00027","12.4595","0.0004","4.41318","0.0002","90","","94.5756","0.0023","90","","278.36","0.02","293","","293","","3550000","50000","3550000","50000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.00982","","0.05251","","0.279","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241839","4.6442","0.0003","11.6134","0.0004","4.07822","0.00022","90","","94.7902","0.0027","90","","219.19","0.02","293","","293","","22760000","50000","22760000","50000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.0136","","0.03647","","0.39","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241840","4.7371","0.0003","11.82822","0.0003","4.16968","0.00024","90","","94.711","0.003","90","","232.84","0.02","293","","293","","16090000","50000","16090000","50000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.00989","","0.05286","","0.292","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241841","4.6069","0.0004","11.5455","0.0007","4.04391","0.00032","90","","94.803","0.003","90","","214.34","0.03","293","","293","","25780000","50000","25780000","50000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.00865","","0.0421","","0.247","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241842","4.7786","0.0007","11.9057","0.0005","4.1994","0.0006","90","","94.695","0.006","90","","238.11","0.05","293","","293","","14060000","110000","14060000","110000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.02549","","0.05581","","0.736","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241843","5.09945","0.00022","12.4945","0.0003","4.42425","0.00017","90","","94.5655","0.0019","90","","280.997","0.018","293","","293","","3160000","50000","3160000","50000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.00768","","0.05282","","0.216","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241844","4.8132","0.0004","11.9681","0.0006","4.23271","0.00023","90","","94.6883","0.0026","90","","243.01","0.03","293","","293","","11840000","190000","11840000","190000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.01284","","0.04996","","0.364","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241845","5.269","0.0004","12.82716","0.00016","4.51254","0.0003","90","","94.364","0.004","90","","304.1","0.03","293","","293","","540000","50000","540000","50000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.0102","","0.09325","","0.299","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241846","4.9201","0.0005","12.15166","0.00023","4.3032","0.0004","90","","94.543","0.005","90","","256.47","0.04","293","","293","","7850000","50000","7850000","50000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.03174","","0.15244","","0.92","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241847","4.5965","0.0006","11.5222","0.0007","4.0319","0.0004","90","","94.769","0.004","90","","212.8","0.04","293","","293","","27460000","50000","27460000","50000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.01753","","0.04852","","0.504","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241848","4.7416","0.0004","11.8243","0.0007","4.17264","0.00027","90","","94.7608","0.0029","90","","233.14","0.03","293","","293","","15600000","500000","15600000","500000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.01247","","0.04872","","0.354","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241849","4.5726","0.0006","11.4835","0.0009","4.0105","0.0004","90","","94.821","0.004","90","","209.84","0.04","293","","293","","29800000","500000","29800000","500000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.01074","","0.04561","","0.31","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241850","4.8178","0.0006","11.97404","0.00028","4.2306","0.0005","90","","94.607","0.006","90","","243.27","0.04","293","","293","","11890000","50000","11890000","50000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.02802","","0.06204","","0.812","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241851","4.6657","0.0004","11.67","0.0006","4.1027","0.00028","90","","94.7684","0.003","90","","222.61","0.03","293","","293","","20640000","50000","20640000","50000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.01064","","0.0377","","0.299","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241852","5.29402","0.00016","12.885","0.0004","4.50656","0.00013","90","","94.329","0.003","90","","306.531","0.016","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","","x-ray","0.41328","synchrotron","","0.0378","0.0309","","","0.0738","0.0776","","","","","","1.043","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241853","5.27066","0.00019","12.7806","0.0005","4.48685","0.00019","90","","94.579","0.004","90","","301.28","0.02","100","1","100","1","","","","","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","","x-ray","0.41328","synchrotron","","0.0353","0.0311","","","0.0774","0.0803","","","","","","1.045","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241854","5.26373","0.00014","12.7447","0.0003","4.47691","0.00011","90","","94.687","0.003","90","","299.328","0.013","35","1","35","1","","","","","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","","x-ray","0.41328","synchrotron","","0.0364","0.0343","","","0.0928","0.0948","","","","","","1.072","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241855","5.29025","0.00013","12.8566","0.0003","4.502","0.00012","90","","94.44","0.003","90","","305.283","0.013","230","1","230","1","","","","","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","","x-ray","0.41328","synchrotron","","0.0347","0.0294","","","0.0691","0.0723","","","","","","1.045","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241856","5.28841","0.00013","12.8335","0.0003","4.50014","0.00013","90","","94.541","0.003","90","","304.46","0.014","150","1","150","1","","","","","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","","x-ray","0.41328","synchrotron","","0.0377","0.0314","","","0.0779","0.0821","","","","","","1.063","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241857","5.26753","0.00012","12.7667","0.0002","4.48007","0.0001","90","","94.738","0.002","90","","300.251","0.011","50","1","50","1","","","","","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","","x-ray","0.41328","synchrotron","","0.0291","0.0271","","","0.0743","0.0761","","","","","","1.131","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241858","5.29393","0.00013","12.8775","0.0004","4.50545","0.00012","90","","94.381","0.003","90","","306.251","0.015","270","1","270","1","","","","","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","","x-ray","0.41328","synchrotron","","0.0348","0.0294","","","0.0699","0.0729","","","","","","1.06","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241859","5.27158","0.00013","12.7597","0.0003","4.48224","0.00011","90","","94.731","0.003","90","","300.465","0.013","20","1","20","1","","","","","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","","x-ray","0.41328","synchrotron","","0.0427","0.041","","","0.1104","0.1133","","","","","","1.08","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241860","5.2915","0.00015","12.8527","0.0004","4.50173","0.00014","90","","94.533","0.003","90","","305.205","0.016","190","1","190","1","","","","","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","","x-ray","0.41328","synchrotron","","0.0361","0.0296","","","0.072","0.076","","","","","","1.037","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241861","5.28379","0.00013","12.8173","0.0003","4.49485","0.00012","90","","94.618","0.002","90","","303.421","0.013","120","1","120","1","","","","","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","","x-ray","0.41328","synchrotron","","0.0365","0.0308","","","0.0734","0.0765","","","","","","1.087","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241862","5.2635","0.0002","12.732","0.0004","4.46891","0.00016","90","","94.675","0.004","90","","298.487","0.018","10","1","10","1","","","","","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","","x-ray","0.41328","synchrotron","","0.0384","0.0344","","","0.103","0.1066","","","","","","1.101","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241863","12.0689","0.0003","11.6727","0.0003","21.7296","0.0006","90","","94.542","0.001","90","","3051.58","0.14","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Eu(C12N2H8)4(C3N4H3O2)2(Cl)2](ClO4)2","'[Eu(C12N2H8)4(C3N4H3O2)2(Cl)2](ClO4)2'","","- C54 H38 Cl4 Eu2 N16 O12 -","- C54 H38 Cl4 Eu2 N16 O12 -","- C108 H76 Cl8 Eu4 N32 O24 -","2","0.5","","Dong, Lu; Lu, Ying-Bing; Zhu, Shui-Dong; Wu, Jun-Wei; Zhang, Xin-Ting; Liao, Yi; Liu, Cai-Ming; Liu, Sui-Jun; Xie, Yong-Rong; Zhang, Shi-Yong","A new family of dinuclear lanthanide complexes exhibiting luminescence, magnetic entropy changes and single molecule magnet behaviors","CrystEngComm","2021","23","3","645","652","10.1039/D0CE01477J","","","0.71073","MoKα","","0.0453","0.0346","","","0.0829","0.0922","","","","","","1.007","","","","has coordinates","261632","2021-02-04","23:05:03",""
"7241864","12.0381","0.0004","11.6511","0.0003","21.7206","0.0007","90","","94.5441","0.001","90","","3036.89","0.16","300","2","300","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Gd(C12N2H8)4(C3N4H3O2)2(Cl)2](ClO4)2","'[Gd(C12N2H8)4(C3N4H3O2)2(Cl)2](ClO4)2'","","- C54 H38 Cl4 Gd2 N16 O12 -","- C54 H38 Cl4 Gd2 N16 O12 -","- C108 H76 Cl8 Gd4 N32 O24 -","2","0.5","","Dong, Lu; Lu, Ying-Bing; Zhu, Shui-Dong; Wu, Jun-Wei; Zhang, Xin-Ting; Liao, Yi; Liu, Cai-Ming; Liu, Sui-Jun; Xie, Yong-Rong; Zhang, Shi-Yong","A new family of dinuclear lanthanide complexes exhibiting luminescence, magnetic entropy changes and single molecule magnet behaviors","CrystEngComm","2021","23","3","645","652","10.1039/D0CE01477J","","","0.71073","MoKα","","0.0445","0.0362","","","0.0915","0.0992","","","","","","1.203","","","","has coordinates","261632","2021-02-04","23:05:03",""
"7241865","12.0165","0.0011","11.6234","0.0011","24.035","0.002","90","","115.388","0.005","90","","3032.8","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Dy(C12N2H8)4(C3N4H3O2)2(Cl)2](ClO4)2","'[Dy(C12N2H8)4(C3N4H3O2)2(Cl)2](ClO4)2'","","- C54 H38 Cl4 Dy2 N16 O12 -","- C54 H38 Cl4 Dy2 N16 O12 -","- C108 H76 Cl8 Dy4 N32 O24 -","2","0.5","","Dong, Lu; Lu, Ying-Bing; Zhu, Shui-Dong; Wu, Jun-Wei; Zhang, Xin-Ting; Liao, Yi; Liu, Cai-Ming; Liu, Sui-Jun; Xie, Yong-Rong; Zhang, Shi-Yong","A new family of dinuclear lanthanide complexes exhibiting luminescence, magnetic entropy changes and single molecule magnet behaviors","CrystEngComm","2021","23","3","645","652","10.1039/D0CE01477J","","","0.71073","MoKα","","0.0427","0.0365","","","0.1069","0.115","","","","","","0.995","","","","has coordinates","261632","2021-02-04","23:05:03",""
"7241866","12.0288","0.0004","11.6329","0.0003","21.7452","0.0006","90","","94.488","0.001","90","","3033.47","0.15","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Tb(C12N2H8)4(C3N4H3O2)2(Cl)2](ClO4)2","'[Tb(C12N2H8)4(C3N4H3O2)2(Cl)2](ClO4)2'","","- C54 H38 Cl4 N16 O12 Tb2 -","- C54 H38 Cl4 N16 O12 Tb2 -","- C108 H76 Cl8 N32 O24 Tb4 -","2","0.5","","Dong, Lu; Lu, Ying-Bing; Zhu, Shui-Dong; Wu, Jun-Wei; Zhang, Xin-Ting; Liao, Yi; Liu, Cai-Ming; Liu, Sui-Jun; Xie, Yong-Rong; Zhang, Shi-Yong","A new family of dinuclear lanthanide complexes exhibiting luminescence, magnetic entropy changes and single molecule magnet behaviors","CrystEngComm","2021","23","3","645","652","10.1039/D0CE01477J","","","0.71073","MoKα","","0.0413","0.0324","","","0.0789","0.0849","","","","","","1.011","","","","has coordinates","261632","2021-02-04","23:05:03",""
"7241867","9.9227","0.0005","12.457","0.0006","16.0614","0.0008","80.584","0.001","74.32","0.001","67.518","0.001","1762.1","0.15","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H18 Br2 N2 O10 Ru3 -","- C34 H18 Br2 N2 O10 Ru3 -","- C68 H36 Br4 N4 O20 Ru6 -","2","1","","Min, Xue; Tian, Hong-rui; Li, Ming; Tian, Di","Fabrication of new structures from a 3D cobalt phosphonate network: structural transformation and proton conductivity investigation","CrystEngComm","2021","23","4","876","883","10.1039/D0CE01508C","","","0.71073","MoKα","","0.0473","0.0381","","","0.104","0.1211","","","","","","1.023","","","","has coordinates","261610","2021-02-04","22:59:42",""
"7241868","11.4233","0.0011","12.1695","0.0012","15.1533","0.0014","70.483","0.001","87.865","0.002","78.592","0.001","1945.3","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H24 N2 O12 Ru3 -","- C36 H24 N2 O12 Ru3 -","- C72 H48 N4 O24 Ru6 -","2","1","","Min, Xue; Tian, Hong-rui; Li, Ming; Tian, Di","Fabrication of new structures from a 3D cobalt phosphonate network: structural transformation and proton conductivity investigation","CrystEngComm","2021","23","4","876","883","10.1039/D0CE01508C","","","0.71073","MoKα","","0.0531","0.04","","","0.1","0.11","","","","","","1.046","","","","has coordinates","261610","2021-02-04","22:59:42",""
"7241869","11.695","0.0009","16.4637","0.0014","19.9029","0.0016","90","","103.851","0.003","90","","3720.7","0.5","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H16 Br4 N2 O10 Ru3 -","- C32 H16 Br4 N2 O10 Ru3 -","- C128 H64 Br16 N8 O40 Ru12 -","4","0.5","","Min, Xue; Tian, Hong-rui; Li, Ming; Tian, Di","Fabrication of new structures from a 3D cobalt phosphonate network: structural transformation and proton conductivity investigation","CrystEngComm","2021","23","4","876","883","10.1039/D0CE01508C","","","0.71073","MoKα","","0.0592","0.0354","","","0.0731","0.0797","","","","","","1.044","","","","has coordinates","261610","2021-02-04","22:59:42",""
"7241870","12.8182","0.0002","8.2926","0.0002","11.3803","0.0002","90","","90","","90","","1209.68","0.04","100","2","100","2","","","","","","","","6","P m n 21","P 2ac -2","31","","","","- H10 Ni O15 S1.38 Se0.62 U -","- H10 Ni O15 S1.379 Se0.621 U -","- H40 Ni4 O60 S5.516 Se2.484 U4 -","4","1","","Kornyakov, Ilya V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.; Gurzhiy, Vladislav V.","Crystal chemistry of the M2+[(UO2)(T6+O4)2(H2O)](H2O)4 (M2+ = Mg, Mn, Fe, Co, Ni and Zn; T6+ = S, Se) compounds: the interplay between chemical composition, pH and structural architecture","CrystEngComm","2021","23","5","1140","1148","10.1039/D0CE01587C","","x-ray","0.71073","MoKα","","0.0208","0.018","","","0.0414","0.0437","","","","","","1.057","","","","has coordinates,has disorder","262567","2021-03-05","01:45:11",""
"7241871","8.3598","0.0001","11.4808","0.0002","12.9631","0.0001","90","","92.894","0.001","90","","1242.58","0.03","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- H10 Ni O15 S0.77 Se1.23 U -","- H10 Ni O15 S0.775 Se1.225 U -","- H40 Ni4 O60 S3.1 Se4.9 U4 -","4","1","","Kornyakov, Ilya V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.; Gurzhiy, Vladislav V.","Crystal chemistry of the M2+[(UO2)(T6+O4)2(H2O)](H2O)4 (M2+ = Mg, Mn, Fe, Co, Ni and Zn; T6+ = S, Se) compounds: the interplay between chemical composition, pH and structural architecture","CrystEngComm","2021","23","5","1140","1148","10.1039/D0CE01587C","","x-ray","0.71073","MoKα","","0.0179","0.0172","","","0.0413","0.0416","","","","","","1.124","","","","has coordinates,has disorder","262567","2021-03-05","01:45:12",""
"7241872","8.3534","0.0003","11.4839","0.0003","12.9409","0.0004","90","","92.931","0.003","90","","1239.79","0.07","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- H10 Ni O15 S0.61 Se1.39 U -","- H10 Ni O15 S0.611 Se1.389 U -","- H40 Ni4 O60 S2.444 Se5.556 U4 -","4","1","","Kornyakov, Ilya V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.; Gurzhiy, Vladislav V.","Crystal chemistry of the M2+[(UO2)(T6+O4)2(H2O)](H2O)4 (M2+ = Mg, Mn, Fe, Co, Ni and Zn; T6+ = S, Se) compounds: the interplay between chemical composition, pH and structural architecture","CrystEngComm","2021","23","5","1140","1148","10.1039/D0CE01587C","","x-ray","0.71073","MoKα","","0.0179","0.0167","","","0.0409","0.0414","","","","","","1.124","","","","has coordinates,has disorder","262567","2021-03-05","01:45:12",""
"7241873","8.3752","0.0002","11.533","0.0003","13.0328","0.0003","90","","93.103","0.002","90","","1257.01","0.05","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- H10 Ni O15 S0.43 Se1.57 U -","- H10 Ni O15 S0.43 Se1.57 U -","- H40 Ni4 O60 S1.72 Se6.28 U4 -","4","1","","Kornyakov, Ilya V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.; Gurzhiy, Vladislav V.","Crystal chemistry of the M2+[(UO2)(T6+O4)2(H2O)](H2O)4 (M2+ = Mg, Mn, Fe, Co, Ni and Zn; T6+ = S, Se) compounds: the interplay between chemical composition, pH and structural architecture","CrystEngComm","2021","23","5","1140","1148","10.1039/D0CE01587C","","x-ray","0.71073","MoKα","","0.0389","0.0256","","","0.0477","0.051","","","","","","1.041","","","","has coordinates,has disorder","262567","2021-03-05","01:45:12",""
"7241874","12.7506","0.0001","8.3095","0.0001","11.2929","0.0001","90","","90","","90","","1196.5","0.02","296","2","296","2","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- H10 Ni O15 S2 U -","- H10 Ni O15 S2 U -","- H40 Ni4 O60 S8 U4 -","4","1","","Kornyakov, Ilya V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.; Gurzhiy, Vladislav V.","Crystal chemistry of the M2+[(UO2)(T6+O4)2(H2O)](H2O)4 (M2+ = Mg, Mn, Fe, Co, Ni and Zn; T6+ = S, Se) compounds: the interplay between chemical composition, pH and structural architecture","CrystEngComm","2021","23","5","1140","1148","10.1039/D0CE01587C","","x-ray","0.71073","MoKα","","0.0282","0.0277","","","0.0752","0.0758","","","","","","1.128","","","","has coordinates,has disorder","262567","2021-03-05","01:45:12",""
"7241875","12.8291","0.0009","8.2825","0.0005","11.3826","0.0006","90","","90","","90","","1209.48","0.13","100","2","100","2","","","","","","","","6","P m n 21","P 2ac -2","31","","","","- H10 Ni O15 S1.2 Se0.8 U -","- H10 Ni O15 S1.198 Se0.802 U -","- H40 Ni4 O60 S4.792 Se3.208 U4 -","4","1","","Kornyakov, Ilya V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.; Gurzhiy, Vladislav V.","Crystal chemistry of the M2+[(UO2)(T6+O4)2(H2O)](H2O)4 (M2+ = Mg, Mn, Fe, Co, Ni and Zn; T6+ = S, Se) compounds: the interplay between chemical composition, pH and structural architecture","CrystEngComm","2021","23","5","1140","1148","10.1039/D0CE01587C","","x-ray","0.71073","MoKα","","0.0443","0.0303","","","0.0609","0.0663","","","","","","1.043","","","","has coordinates,has disorder","262567","2021-03-05","01:45:12",""
"7241876","8.3202","0.0004","11.4227","0.0004","12.882","0.0006","90","","92.718","0.004","90","","1222.92","0.09","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- H10 Ni O15 S0.96 Se1.04 U -","- H10 Ni O15 S0.958 Se1.042 U -","- H40 Ni4 O60 S3.832 Se4.168 U4 -","4","1","","Kornyakov, Ilya V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.; Gurzhiy, Vladislav V.","Crystal chemistry of the M2+[(UO2)(T6+O4)2(H2O)](H2O)4 (M2+ = Mg, Mn, Fe, Co, Ni and Zn; T6+ = S, Se) compounds: the interplay between chemical composition, pH and structural architecture","CrystEngComm","2021","23","5","1140","1148","10.1039/D0CE01587C","","x-ray","0.71073","MoKα","","0.0567","0.0388","","","0.0663","0.071","","","","","","1.068","","","","has coordinates,has disorder","262567","2021-03-05","01:45:12",""
"7241877","6.5114","0.0001","11.3829","0.0002","8.3439","0.0002","90","","90.773","0.002","90","","618.38","0.02","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- H10 Mn O15 S2 U -","- H10 Mn O15 S2 U -","- H20 Mn2 O30 S4 U2 -","2","1","","Kornyakov, Ilya V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.; Gurzhiy, Vladislav V.","Crystal chemistry of the M2+[(UO2)(T6+O4)2(H2O)](H2O)4 (M2+ = Mg, Mn, Fe, Co, Ni and Zn; T6+ = S, Se) compounds: the interplay between chemical composition, pH and structural architecture","CrystEngComm","2021","23","5","1140","1148","10.1039/D0CE01587C","","x-ray","0.71073","MoKα","","0.0171","0.0163","","","0.0398","0.0401","","","","","","1.038","","","","has coordinates","262567","2021-03-05","01:45:12",""
"7241878","8.3902","0.0001","11.5601","0.0002","13.0744","0.0002","90","","93.309","0.001","90","","1265.99","0.03","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- H10 Ni O15 S0.22 Se1.78 U -","- H10 Ni O15 S0.216 Se1.784 U -","- H40 Ni4 O60 S0.864 Se7.136 U4 -","4","1","","Kornyakov, Ilya V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.; Gurzhiy, Vladislav V.","Crystal chemistry of the M2+[(UO2)(T6+O4)2(H2O)](H2O)4 (M2+ = Mg, Mn, Fe, Co, Ni and Zn; T6+ = S, Se) compounds: the interplay between chemical composition, pH and structural architecture","CrystEngComm","2021","23","5","1140","1148","10.1039/D0CE01587C","","x-ray","0.71073","MoKα","","0.0147","0.014","","","0.0336","0.0338","","","","","","1.138","","","","has coordinates,has disorder","262567","2021-03-05","01:45:12",""
"7241879","12.7808","0.0003","8.2806","0.0002","11.3074","0.0003","90","","90","","90","","1196.69","0.05","100","2","100","2","","","","","","","","6","P m n 21","P 2ac -2","31","","","","- H10 Ni O15 S1.85 Se0.15 U -","- H10 Ni O15 S1.852 Se0.148 U -","- H40 Ni4 O60 S7.408 Se0.592 U4 -","4","1","","Kornyakov, Ilya V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.; Gurzhiy, Vladislav V.","Crystal chemistry of the M2+[(UO2)(T6+O4)2(H2O)](H2O)4 (M2+ = Mg, Mn, Fe, Co, Ni and Zn; T6+ = S, Se) compounds: the interplay between chemical composition, pH and structural architecture","CrystEngComm","2021","23","5","1140","1148","10.1039/D0CE01587C","","x-ray","0.71073","MoKα","","0.0263","0.024","","","0.0631","0.0645","","","","","","1.044","","","","has coordinates,has disorder","262567","2021-03-05","01:45:12",""
"7241880","8.3912","0.0002","11.5652","0.0003","13.1209","0.0003","90","","93.533","0.002","90","","1270.91","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- H10 Ni O15 Se2 U -","- H10 Ni O15 Se2 U -","- H40 Ni4 O60 Se8 U4 -","4","1","","Kornyakov, Ilya V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.; Gurzhiy, Vladislav V.","Crystal chemistry of the M2+[(UO2)(T6+O4)2(H2O)](H2O)4 (M2+ = Mg, Mn, Fe, Co, Ni and Zn; T6+ = S, Se) compounds: the interplay between chemical composition, pH and structural architecture","CrystEngComm","2021","23","5","1140","1148","10.1039/D0CE01587C","","x-ray","0.71073","MoKα","","0.0204","0.0166","","","0.0396","0.0412","","","","","","1.031","","","","has coordinates,has disorder","262567","2021-03-05","01:45:12",""
"7241881","12.916","0.0003","8.296","0.0002","11.2937","0.0003","90","","90","","90","","1210.13","0.05","296","2","296","2","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- Co H10 O15 S2 U -","- Co H10 O15 S2 U -","- Co4 H40 O60 S8 U4 -","4","1","","Kornyakov, Ilya V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.; Gurzhiy, Vladislav V.","Crystal chemistry of the M2+[(UO2)(T6+O4)2(H2O)](H2O)4 (M2+ = Mg, Mn, Fe, Co, Ni and Zn; T6+ = S, Se) compounds: the interplay between chemical composition, pH and structural architecture","CrystEngComm","2021","23","5","1140","1148","10.1039/D0CE01587C","","x-ray","0.71073","MoKα","","0.0269","0.0212","","","0.0457","0.0479","","","","","","1.045","","","","has coordinates,has disorder","262567","2021-03-05","01:45:12",""
"7241882","12.783","0.0004","8.2863","0.0003","11.3033","0.0005","90","","90","","90","","1197.29","0.08","100","2","100","2","","","","","","","","6","P m n 21","P 2ac -2","31","","","","- H10 Ni O15 S1.64 Se0.35 U -","- H10 Ni O15 S1.644 Se0.356 U -","- H40 Ni4 O60 S6.576 Se1.424 U4 -","4","1","","Kornyakov, Ilya V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.; Gurzhiy, Vladislav V.","Crystal chemistry of the M2+[(UO2)(T6+O4)2(H2O)](H2O)4 (M2+ = Mg, Mn, Fe, Co, Ni and Zn; T6+ = S, Se) compounds: the interplay between chemical composition, pH and structural architecture","CrystEngComm","2021","23","5","1140","1148","10.1039/D0CE01587C","","x-ray","0.71073","MoKα","","0.0165","0.0159","","","0.0419","0.0422","","","","","","1.119","","","","has coordinates,has disorder","262567","2021-03-05","01:45:12",""
"7241883","12.8695","0.0003","8.28206","0.00015","11.292","0.0002","90","","90","","90","","1203.57","0.04","296","2","296","2","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- H10 O15 S2 U Zn -","- H10 O15 S2 U Zn -","- H40 O60 S8 U4 Zn4 -","4","1","","Kornyakov, Ilya V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.; Gurzhiy, Vladislav V.","Crystal chemistry of the M2+[(UO2)(T6+O4)2(H2O)](H2O)4 (M2+ = Mg, Mn, Fe, Co, Ni and Zn; T6+ = S, Se) compounds: the interplay between chemical composition, pH and structural architecture","CrystEngComm","2021","23","5","1140","1148","10.1039/D0CE01587C","","x-ray","0.71073","MoKα","","0.0229","0.0205","","","0.0483","0.0498","","","","","","1.028","","","","has coordinates,has disorder","262567","2021-03-05","01:45:12",""
"7241902","8.386","0.002","14.787","0.004","14.458","0.003","90","","96.9","0.1","90","","1779.9","0.8","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","pentacyanonitrosilferrates (II)","iron methylimidazole pentacyanonitrosilferrates (II)","","- C13 Fe2 N10 O -","- C13 Fe2 N10 O -","- C52 Fe8 N40 O4 -","4","1","","Pérez, Hiram; Di Santo, Alejandro; Piro, Oscar E.; Echeverría, Gustavo A.; Cano, A.; González, M.; Rodríguez-Hernández, J.; Ben Altabef, A.; Frontera, Antonio; Gil, Diego M.","A first exploration of isostructurality in transition metal nitroprussides: X-ray analysis, magnetic properties and DFT calculations","CrystEngComm","2021","23","5","1158","1171","10.1039/D0CE01596B","powder diffraction","","1.54056","CuKα","","","","","","","","","12.7212","","","","","","","","has coordinates","262575","2021-03-05","01:46:35",""
"7241903","9.167","0.0005","10.2296","0.0005","15.6179","0.0008","73.752","0.004","80.35","0.004","84.476","0.004","1384.29","0.13","297","2","297","2","","","","","","","","6","P -1","-P 1","2","","catena-[bis(u-cyano)-cyano-tetrakis(1-methylimidazole)-nitrosyl-iron-copper]","","- C21 H24 Cu Fe N14 O -","- C21 H24 Cu Fe N14 O -","- C42 H48 Cu2 Fe2 N28 O2 -","2","1","","Pérez, Hiram; Di Santo, Alejandro; Piro, Oscar E.; Echeverría, Gustavo A.; Cano, A.; González, M.; Rodríguez-Hernández, J.; Ben Altabef, A.; Frontera, Antonio; Gil, Diego M.","A first exploration of isostructurality in transition metal nitroprussides: X-ray analysis, magnetic properties and DFT calculations","CrystEngComm","2021","23","5","1158","1171","10.1039/D0CE01596B","","x-ray","0.71073","MoKα","","0.0611","0.0397","","","0.0828","0.0938","","","","","","1.01","","","","has coordinates","262575","2021-03-05","01:46:36",""
"7241904","14.8493","0.0011","14.498","0.001","16.5461","0.0012","90","","90","","90","","3562.1","0.4","297","2","297","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","catena-[tetrakis(u-cyano)-cyano-bis(1-methylimidazole)-nitrosyl-iron-zinc]","","- C13 H12 Fe N10 O Zn -","- C13 H12 Fe N10 O Zn -","- C104 H96 Fe8 N80 O8 Zn8 -","8","1","","Pérez, Hiram; Di Santo, Alejandro; Piro, Oscar E.; Echeverría, Gustavo A.; Cano, A.; González, M.; Rodríguez-Hernández, J.; Ben Altabef, A.; Frontera, Antonio; Gil, Diego M.","A first exploration of isostructurality in transition metal nitroprussides: X-ray analysis, magnetic properties and DFT calculations","CrystEngComm","2021","23","5","1158","1171","10.1039/D0CE01596B","","x-ray","0.71073","MoKα","","0.122","0.0492","","","0.0928","0.1048","","","","","","0.762","","","","has coordinates","262575","2021-03-05","01:46:36",""
"7241905","8.4311","0.001","14.9364","0.0015","14.6337","0.0016","90","","97.228","0.011","90","","1828.2","0.4","297","2","297","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","catena-[tetrakis(u-cyano)-cyano-bis(1-methylimidazole)-nitrosyl-iron-manganese]","","- C13 H12 Fe Mn N10 O -","- C13 H12 Fe Mn N10 O -","- C52 H48 Fe4 Mn4 N40 O4 -","4","1","","Pérez, Hiram; Di Santo, Alejandro; Piro, Oscar E.; Echeverría, Gustavo A.; Cano, A.; González, M.; Rodríguez-Hernández, J.; Ben Altabef, A.; Frontera, Antonio; Gil, Diego M.","A first exploration of isostructurality in transition metal nitroprussides: X-ray analysis, magnetic properties and DFT calculations","CrystEngComm","2021","23","5","1158","1171","10.1039/D0CE01596B","","x-ray","0.71073","MoKα","","0.1037","0.046","","","0.094","0.1042","","","","","","0.813","","","","has coordinates","262575","2021-03-05","01:46:36",""
"7241906","8.4002","0.0003","15.2133","0.0005","14.896","0.0005","90","","98.048","0.003","90","","1884.88","0.11","297","2","297","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","catena-[tetrakis(u-cyano)-cyano-bis(1-methylimidazole)-nitrosyl-iron-cadmium]","","- C13 H12 Cd Fe N10 O -","- C13 H12 Cd Fe N10 O -","- C52 H48 Cd4 Fe4 N40 O4 -","4","1","","Pérez, Hiram; Di Santo, Alejandro; Piro, Oscar E.; Echeverría, Gustavo A.; Cano, A.; González, M.; Rodríguez-Hernández, J.; Ben Altabef, A.; Frontera, Antonio; Gil, Diego M.","A first exploration of isostructurality in transition metal nitroprussides: X-ray analysis, magnetic properties and DFT calculations","CrystEngComm","2021","23","5","1158","1171","10.1039/D0CE01596B","","x-ray","0.71073","MoKα","","0.067","0.0387","","","0.0818","0.0974","","","","","","1.033","","","","has coordinates","262575","2021-03-05","01:46:36",""
"7241907","5.2628","0.0002","25.4439","0.0014","5.2264","0.0003","90","","96.777","0.002","90","","694.96","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-Chloropiperidine_monohydrate","","","- C5 H12 Cl N O -","- C5 H12 Cl N O -","- C20 H48 Cl4 N4 O4 -","4","1","","Socha, Paweł; Prus, Bernadeta; Dobrzycki, Łukasz; Boese, Roland; Cyrański, Michał K.","Intermolecular interactions in hydrates of 4-methylpiperidine and 4-chloropiperidine ‒ a structural and computational study","CrystEngComm","2021","23","5","1251","1262","10.1039/D0CE01585G","","","0.71073","MoKα","","0.0393","0.0333","","","0.0803","0.0839","","","","","","1.32","","","","has coordinates","262574","2021-03-05","01:46:27",""
"7241908","5.2978","0.0002","25.4806","0.0015","5.2759","0.0003","90","","97.132","0.002","90","","706.69","0.06","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-Chloropiperidine_monohydrate","","","- C5 H12 Cl N O -","- C5 H12 Cl N O -","- C20 H48 Cl4 N4 O4 -","4","1","","Socha, Paweł; Prus, Bernadeta; Dobrzycki, Łukasz; Boese, Roland; Cyrański, Michał K.","Intermolecular interactions in hydrates of 4-methylpiperidine and 4-chloropiperidine ‒ a structural and computational study","CrystEngComm","2021","23","5","1251","1262","10.1039/D0CE01585G","","","0.71073","MoKα","","0.0416","0.0334","","","0.0796","0.0837","","","","","","1.21","","","","has coordinates","262574","2021-03-05","01:46:27",""
"7241909","5.3056","0.0004","23.544","0.002","11.1942","0.001","90","","99.188","0.002","90","","1380.4","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-Methylpiperidine_hemihydrate","","","- C12 H28 N2 O -","- C12 H28 N2 O -","- C48 H112 N8 O4 -","4","1","","Socha, Paweł; Prus, Bernadeta; Dobrzycki, Łukasz; Boese, Roland; Cyrański, Michał K.","Intermolecular interactions in hydrates of 4-methylpiperidine and 4-chloropiperidine ‒ a structural and computational study","CrystEngComm","2021","23","5","1251","1262","10.1039/D0CE01585G","","","0.71073","MoKα","","0.0626","0.0525","","","0.1184","0.124","","","","","","1.116","","","","has coordinates","262574","2021-03-05","01:46:27",""
"7241910","12.4835","0.0014","6.2084","0.0005","12.2415","0.0013","90","","95.025","0.004","90","","945.1","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-Chloropiperidine_trihydrate","","","- C5 H16 Cl N O3 -","- C5 H16 Cl N O3 -","- C20 H64 Cl4 N4 O12 -","4","1","","Socha, Paweł; Prus, Bernadeta; Dobrzycki, Łukasz; Boese, Roland; Cyrański, Michał K.","Intermolecular interactions in hydrates of 4-methylpiperidine and 4-chloropiperidine ‒ a structural and computational study","CrystEngComm","2021","23","5","1251","1262","10.1039/D0CE01585G","","","0.71073","MoKα","","0.0737","0.0481","","","0.1113","0.1227","","","","","","1.109","","","","has coordinates","262574","2021-03-05","01:46:27",""
"7241911","12.5492","0.0019","6.2375","0.0007","12.3157","0.0018","90","","94.551","0.005","90","","961","0.2","210","2","210","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-Chloropiperidine_trihydrate","","","- C5 H16 Cl N O3 -","- C5 H16 Cl N O3 -","- C20 H64 Cl4 N4 O12 -","4","1","","Socha, Paweł; Prus, Bernadeta; Dobrzycki, Łukasz; Boese, Roland; Cyrański, Michał K.","Intermolecular interactions in hydrates of 4-methylpiperidine and 4-chloropiperidine ‒ a structural and computational study","CrystEngComm","2021","23","5","1251","1262","10.1039/D0CE01585G","","","0.71073","MoKα","","0.1132","0.0554","","","0.1062","0.1281","","","","","","1.065","","","","has coordinates","262574","2021-03-05","01:46:27",""
"7241912","5.3447","0.0004","23.72","0.002","11.2047","0.0009","90","","99.241","0.002","90","","1402.05","0.19","175","2","175","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-Methylpiperidine_hemihydrate","","","- C12 H28 N2 O -","- C12 H28 N2 O -","- C48 H112 N8 O4 -","4","1","","Socha, Paweł; Prus, Bernadeta; Dobrzycki, Łukasz; Boese, Roland; Cyrański, Michał K.","Intermolecular interactions in hydrates of 4-methylpiperidine and 4-chloropiperidine ‒ a structural and computational study","CrystEngComm","2021","23","5","1251","1262","10.1039/D0CE01585G","","","0.71073","MoKα","","0.0646","0.0532","","","0.1318","0.1402","","","","","","1.069","","","","has coordinates","262574","2021-03-05","01:46:27",""
"7241913","13.176","0.003","6.3382","0.0011","11.846","0.002","90","","103.596","0.007","90","","961.6","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-Methylpiperidine_trihydrate","","","- C6 H19 N O3 -","- C6 H19 N O3 -","- C24 H76 N4 O12 -","4","1","","Socha, Paweł; Prus, Bernadeta; Dobrzycki, Łukasz; Boese, Roland; Cyrański, Michał K.","Intermolecular interactions in hydrates of 4-methylpiperidine and 4-chloropiperidine ‒ a structural and computational study","CrystEngComm","2021","23","5","1251","1262","10.1039/D0CE01585G","","","0.71073","MoKα","","0.0422","0.0375","","","0.1034","0.1083","","","","","","1.137","","","","has coordinates","262574","2021-03-05","01:46:27",""
"7241914","13.2473","0.001","6.3988","0.0004","11.8886","0.0009","90","","103.251","0.002","90","","980.93","0.12","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-Methylpiperidine_trihydrate","","","- C6 H19 N O3 -","- C6 H19 N O3 -","- C24 H76 N4 O12 -","4","1","","Socha, Paweł; Prus, Bernadeta; Dobrzycki, Łukasz; Boese, Roland; Cyrański, Michał K.","Intermolecular interactions in hydrates of 4-methylpiperidine and 4-chloropiperidine ‒ a structural and computational study","CrystEngComm","2021","23","5","1251","1262","10.1039/D0CE01585G","","","0.71073","MoKα","","0.0478","0.0392","","","0.1023","0.1113","","","","","","1.068","","","","has coordinates","262574","2021-03-05","01:46:27",""
"7241915","7.689","0.001","19.055","0.003","16.139","0.002","90","","92.027","0.004","90","","2363.1","0.6","296.15","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 N3 O9 S Zn -","- C22 H13 N3 O6 S Zn -","- C88 H52 N12 O24 S4 Zn4 -","4","1","","Li, Zhao-Hao; Xue, Li-Ping; Mu, Yun-Jing; Zhao, Bang-Tun","Viologen-derived material showing photochromic, visually oxygen responsive, and photomodulated luminescence behaviors","CrystEngComm","2021","23","4","1019","1024","10.1039/D0CE01630F","","","0.71073","MoKα","","0.0561","0.0388","","","0.0873","0.0956","","","","","","1.034","","","","has coordinates,has disorder","261603","2021-02-04","22:58:46",""
"7241916","9.126","0.002","8.627","0.002","28.397","0.002","90","","90","","90","","2235.7","0.7","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H20 I4 N2 Pb -","- C14 H20 I4 N2 Pb -","- C56 H80 I16 N8 Pb4 -","4","0.5","","Jung, Mi-Hee","Exploration of two-dimensional perovskites incorporating methylammonium for high performance solar cells","CrystEngComm","2021","23","5","1181","1200","10.1039/D0CE01469A","","","0.63","synchrotron","","0.0292","0.0244","","","0.0626","0.0735","","","","","","1.287","","","","has coordinates","262573","2021-03-05","01:46:16",""
"7241917","9.3165","0.0011","27.144","0.003","12.8713","0.0014","90","","90.699","0.005","90","","3254.7","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C2 H12 I4 N6 Pb -","- C2 H12 I4 N6 Pb -","- C16 H96 I32 N48 Pb8 -","8","2","","Jung, Mi-Hee","Exploration of two-dimensional perovskites incorporating methylammonium for high performance solar cells","CrystEngComm","2021","23","5","1181","1200","10.1039/D0CE01469A","","","0.71073","MoKα","","0.0594","0.0473","","","0.1443","0.1556","","","","","","1.107","","","","has coordinates","262573","2021-03-05","01:46:16",""
"7241918","45.458","0.004","8.9432","0.0008","8.8219","0.0007","90","","98.251","0.006","90","","3549.3","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H0 I7 N4 Pb2 -","- C6 I7 N4 Pb2 -","- C24 I28 N16 Pb8 -","4","0.5","","Jung, Mi-Hee","Exploration of two-dimensional perovskites incorporating methylammonium for high performance solar cells","CrystEngComm","2021","23","5","1181","1200","10.1039/D0CE01469A","","","0.71073","MoKα","","0.156","0.0983","","","0.294","0.3364","","","","","","1.075","","","","has coordinates","262573","2021-03-05","01:46:16",""
"7241919","32.5719","0.0016","6.1388","0.0003","6.1894","0.0003","90","","93.635","0.0019","90","","1235.1","0.1","223","2","223","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C16 I4 N2 Pb -","- C18 I4 N2 Pb -","- C36 I8 N4 Pb2 -","2","0.25","","Jung, Mi-Hee","Exploration of two-dimensional perovskites incorporating methylammonium for high performance solar cells","CrystEngComm","2021","23","5","1181","1200","10.1039/D0CE01469A","","","0.71073","MoKα","","0.0285","0.0283","","","0.0802","0.0804","","","","","","1.106","","","","has coordinates","262573","2021-03-05","01:46:16",""
"7241920","8.857","0.0018","8.675","0.0017","27.435","0.006","90","","90","","90","","2108","0.8","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H24 I4 N2 Pb -","- C8 H24 I4 N2 Pb -","- C32 H96 I16 N8 Pb4 -","4","0.5","","Jung, Mi-Hee","Exploration of two-dimensional perovskites incorporating methylammonium for high performance solar cells","CrystEngComm","2021","23","5","1181","1200","10.1039/D0CE01469A","","","0.7","synchrotron","","0.0811","0.0626","","","0.1602","0.177","","","","","","1.082","","","","has coordinates","262573","2021-03-05","01:46:16",""
"7241921","8.152","0.0016","8.747","0.0018","15.148","0.003","90","","90","","90","","1080.1","0.4","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C2 H8 I3 N Pb -","- C2 H8 I3 N Pb -","- C8 H32 I12 N4 Pb4 -","4","0.5","","Jung, Mi-Hee","Exploration of two-dimensional perovskites incorporating methylammonium for high performance solar cells","CrystEngComm","2021","23","5","1181","1200","10.1039/D0CE01469A","","","0.71073","synchrotron","","0.0639","0.0617","","","0.2007","0.2039","","","","","","1.138","","","","has coordinates","262573","2021-03-05","01:46:16",""
"7241922","9.6059","0.0001","15.3508","0.0001","19.727","0.0002","105.947","0.001","93.028","0.001","108.138","0.001","2627.33","0.05","160","0.1","160","0.1","","","","","","","","6","P 1","P 1","1","","","","- C31 H57 Cl N2 O7 S -","- C31 H57 Cl N2 O7 S -","- C93 H171 Cl3 N6 O21 S3 -","3","3","","Li, Shuyu; Wang, Ting; Huang, Xin; Zhou, Lina; Chen, Mingyu; Liu, Wanying; Zhang, Xiunan; Dong, Yuyuan; Hao, Hongxun","The role of water in the formation of crystal structures: a case study of valnemulin hydrochloride","CrystEngComm","2021","23","1","47","55","10.1039/D0CE01459A","","","1.54184","CuKα","","0.0807","0.0745","","","0.2107","0.2253","","","","","","1.039","","","","has coordinates,has disorder","261596","2021-02-04","22:57:12",""
"7241923","18.41","0.009","30.209","0.014","12.589","0.006","90","","90","","90","","7001","6","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C62 H48 Cu N4 O11 S2 -","- C62 H47 Cu N4 O11 S2 -","- C248 H188 Cu4 N16 O44 S8 -","4","0.5","","Mohanty, Aurobinda; Singh, Udai P.; Ghorai, Arijit; Banerjee, Susanta; Butcher, R. J.","Metal‒organic frameworks derived from a semi-rigid anthracene-based ligand and sulfonates: proton conductivity and dye degradation studies","CrystEngComm","2021","23","3","684","693","10.1039/D0CE01275K","","","0.71073","MoKα","","0.0822","0.0538","","","0.1503","0.1702","","","","","","1.03","","","","has coordinates","261635","2021-02-04","23:05:31",""
"7241924","11.4789","0.0003","14.7923","0.0005","15.0691","0.0005","115.911","0.001","110.477","0.001","95.342","0.001","2062.18","0.12","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H26 Co N2 O8 S2 -","- C36 H26 Co N2 O8 S2 -","- C72 H52 Co2 N4 O16 S4 -","2","1","","Mohanty, Aurobinda; Singh, Udai P.; Ghorai, Arijit; Banerjee, Susanta; Butcher, R. J.","Metal‒organic frameworks derived from a semi-rigid anthracene-based ligand and sulfonates: proton conductivity and dye degradation studies","CrystEngComm","2021","23","3","684","693","10.1039/D0CE01275K","","","0.71073","MoKα","","0.0725","0.0469","","","0.1362","0.1497","","","","","","1.072","","","","has coordinates,has disorder","261635","2021-02-04","23:05:31",""
"7241925","10.9393","0.0003","13.6939","0.0004","15.4106","0.0005","64.935","0.002","85.116","0.002","85.63","0.002","2081.48","0.11","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H66 Co N6 O12 S2 -","- C88 H66 Co N6 O12 S2 -","- C88 H66 Co N6 O12 S2 -","1","0.5","","Mohanty, Aurobinda; Singh, Udai P.; Ghorai, Arijit; Banerjee, Susanta; Butcher, R. J.","Metal‒organic frameworks derived from a semi-rigid anthracene-based ligand and sulfonates: proton conductivity and dye degradation studies","CrystEngComm","2021","23","3","684","693","10.1039/D0CE01275K","","","0.71073","MoKα","","0.068","0.0454","","","0.1288","0.1424","","","","","","1.057","","","","has coordinates","261635","2021-02-04","23:05:31",""
"7241926","14.095","0.002","15.145","0.002","19.285","0.003","91.022","0.008","102.243","0.007","97.748","0.008","3981.8","1","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C166 H154 Co2 N14 O29 S4 -","- C166 H154 Co2 N14 O29 S4 -","- C166 H154 Co2 N14 O29 S4 -","1","0.5","","Mohanty, Aurobinda; Singh, Udai P.; Ghorai, Arijit; Banerjee, Susanta; Butcher, R. J.","Metal‒organic frameworks derived from a semi-rigid anthracene-based ligand and sulfonates: proton conductivity and dye degradation studies","CrystEngComm","2021","23","3","684","693","10.1039/D0CE01275K","","","0.71073","MoKα","","0.1001","0.0558","","","0.152","0.1773","","","","","","1.048","","","","has coordinates,has disorder","261635","2021-02-04","23:05:31",""
"7241927","12.4189","0.0004","20.0829","0.0006","28.0298","0.0008","90","","90","","90","","6990.8","0.4","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C62 H48 Cu N4 O11 S2 -","- C62 H48 Cu N4 O11 S2 -","- C248 H192 Cu4 N16 O44 S8 -","4","0.5","","Mohanty, Aurobinda; Singh, Udai P.; Ghorai, Arijit; Banerjee, Susanta; Butcher, R. J.","Metal‒organic frameworks derived from a semi-rigid anthracene-based ligand and sulfonates: proton conductivity and dye degradation studies","CrystEngComm","2021","23","3","684","693","10.1039/D0CE01275K","","","0.71073","MoKα","","0.103","0.0621","","","0.1721","0.1943","","","","","","1.033","","","","has coordinates,has disorder","261635","2021-02-04","23:05:31",""
"7241928","3.7996","0.0007","8.2477","0.0013","14.205","0.004","90","","90","","90","","445.16","0.17","275.2","","275.2","","","","","","","","","2","P b c n","-P 2n 2ab","60","","","","- C5 H12 -","- C5 H12 -","- C20 H48 -","4","0.5","","Liu, X.; Pulham, C. R.","Pressure-induced phase separation of miscible liquids: 1 : 1 n-pentane/iso-pentane","CrystEngComm","2020","22","47","8251","8255","10.1039/D0CE01335H","","","0.71073","MoKα","","0.0575","0.0437","","","0.1178","0.127","","","","","","1.19","","","","has coordinates","260032","2020-12-20","02:21:22",""
"7241945","13.98878","0.00006","23.20468","0.00008","26.86614","0.00009","103.05","0.0003","91.7765","0.0003","93.9686","0.0003","8465.51","0.06","297","","297","","","","","","","","","5","P -1","-P 1","2","","","","- C160 H117.4 Cd10 N25 O49.2 -","- C160 H117.4 Cd10 N25 O49.2 -","- C320 H234.8 Cd20 N50 O98.4 -","2","1","","Fan, Liming; Zhao, Dongsheng; Li, Bei; Chen, Xi; Wang, Feng; Deng, Yuxin; Niu, Yulan; Zhang, Xiutang","An exceptionally stable luminescent cadmium(ii) metal‒organic framework as a dual-functional chemosensor for detecting Cr(vi) anions and nitro-containing antibiotics in aqueous media","CrystEngComm","2021","23","5","1218","1225","10.1039/D0CE01721C","","x-ray","1.54184","CuKα","","0.0518","0.0498","","","0.1347","0.1365","","","","","","1.053","","","","has coordinates,has disorder","262566","2021-03-05","01:44:58",""
"7241946","14.0232","0.0019","14.0232","0.0019","25.446","0.007","90","","90","","120","","4333.6","1.5","298","2","298.15","","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C54 H38 N4 O14 Zn3 -","- C54 H38 N4 O14 Zn3 -","- C162 H114 N12 O42 Zn9 -","3","0.5","","Wang, Xiao-Qing; Tang, Jing; Ma, Xuehui; Wu, Dan; Yang, Jie","A water-stable zinc(ii)‒organic framework as an “on‒off‒on” fluorescent sensor for detection of Fe3+ and reduced glutathione","CrystEngComm","2021","23","5","1243","1250","10.1039/D0CE01741H","","","0.71073","MoKα","","0.1242","0.0654","","","0.1491","0.1726","","","","","","1.03","","","","has coordinates","262572","2021-03-05","01:46:06",""
"7241947","3.8385","0.0008","27.44","0.006","12.924","0.003","90","","95.52","0.03","90","","1355","0.5","293","","293","","","","","","","","Sigma Aldrich","5","C 1 c 1","C -2yc","9","","4-methylpyridine pentachlorophenol","","- C12 H8 Cl5 N O -","- C12 H8 Cl5 N O -","- C48 H32 Cl20 N4 O4 -","4","1","","Funnell, Nicholas P.; Allan, David R.; Maloney, Andrew G. P.; Smith, Ronald I.; Wilson, Cameron J. G.; Parsons, Simon","Suppression of isotopic polymorphism","CrystEngComm","2021","23","4","769","776","10.1039/D0CE01636E","","","0.5159","synchrotron","","0.0933","0.0619","","0.1567","0.1244","0.1567","","","","","","0.9871","","","","has coordinates","261600","2021-02-04","22:58:00",""
"7241948","3.86184","0.00017","27.587","0.0014","13.0065","0.0005","90","","95.678","0.004","90","","1378.87","0.11","150","","150","","","","","","","","Sigma Aldrich","5","C 1 c 1","C -2yc","9","","4-methylpyridine pentachlorophenol","","- C12 H8 Cl5 N O -","- C12 H8 Cl5 N O -","- C48 H32 Cl20 N4 O4 -","4","1","","Funnell, Nicholas P.; Allan, David R.; Maloney, Andrew G. P.; Smith, Ronald I.; Wilson, Cameron J. G.; Parsons, Simon","Suppression of isotopic polymorphism","CrystEngComm","2021","23","4","769","776","10.1039/D0CE01636E","","","1.54184","CuKα","","0.0513","0.0484","","0.1232","0.121","0.1232","","","","","","0.9623","","","","has coordinates","261600","2021-02-04","22:58:00",""
"7241949","3.8299","0.0003","27.522","0.0019","13.0115","0.0016","90","","95.766","0.01","90","","1364.6","0.2","80","","80","","","","","","","","Sigma Aldrich","5","C 1 c 1","C -2yc","9","","4-methylpyridine pentachlorophenol","","- C12 H8 Cl5 N O -","- C12 H8 Cl5 N O -","- C48 H32 Cl20 N4 O4 -","4","1","","Funnell, Nicholas P.; Allan, David R.; Maloney, Andrew G. P.; Smith, Ronald I.; Wilson, Cameron J. G.; Parsons, Simon","Suppression of isotopic polymorphism","CrystEngComm","2021","23","4","769","776","10.1039/D0CE01636E","","","1.54184","CuKα","","0.064","0.0599","","0.1596","0.1531","0.1596","","","","","","1.0078","","","","has coordinates,has disorder","261600","2021-02-04","22:58:00",""
"7241950","7.3014","0.00003","8.7017","0.00007","13.2339","0.00007","100.09","0.011","117.346","0.007","104.142","0.008","682.7","0.09","293","","293","","0.57","","","","","","Sigma Aldrich","5","P -1","-P 1","2","","","","- C12 H8 Cl5 N O -","- C12 H8 Cl5 N O -","- C24 H16 Cl10 N2 O2 -","2","1","","Funnell, Nicholas P.; Allan, David R.; Maloney, Andrew G. P.; Smith, Ronald I.; Wilson, Cameron J. G.; Parsons, Simon","Suppression of isotopic polymorphism","CrystEngComm","2021","23","4","769","776","10.1039/D0CE01636E","","","0.6889","synchrotron","","0.1378","0.1187","","0.4324","0.4062","0.4324","","","","","","1.9981","","","","has coordinates","261600","2021-02-04","22:58:00",""
"7241951","7.0456","0.00003","8.1741","0.00007","12.2122","0.00006","101.337","0.011","114.199","0.007","104.453","0.008","584.57","0.07","293","","293","","3.75","","","","","","Sigma Aldrich","5","P -1","-P 1","2","","","","- C12 H8 Cl5 N O -","- C12 H8 Cl5 N O -","- C24 H16 Cl10 N2 O2 -","2","1","","Funnell, Nicholas P.; Allan, David R.; Maloney, Andrew G. P.; Smith, Ronald I.; Wilson, Cameron J. G.; Parsons, Simon","Suppression of isotopic polymorphism","CrystEngComm","2021","23","4","769","776","10.1039/D0CE01636E","","","0.6889","synchrotron","","0.1313","0.1167","","0.4079","0.3895","0.4079","","","","","","1.9401","","","","has coordinates","261600","2021-02-04","22:58:00",""
"7241952","7.1745","0.00003","8.4378","0.00007","12.7346","0.00007","100.591","0.012","115.749","0.007","104.468","0.008","633.45","0.09","293","","293","","1.47","","","","","","Sigma Aldrich","5","P -1","-P 1","2","","","","- C12 H8 Cl5 N O -","- C12 H8 Cl5 N O -","- C24 H16 Cl10 N2 O2 -","2","1","","Funnell, Nicholas P.; Allan, David R.; Maloney, Andrew G. P.; Smith, Ronald I.; Wilson, Cameron J. G.; Parsons, Simon","Suppression of isotopic polymorphism","CrystEngComm","2021","23","4","769","776","10.1039/D0CE01636E","","","0.6889","synchrotron","","0.1194","0.1015","","0.2606","0.2456","0.2606","","","","","","1.008","","","","has coordinates","261600","2021-02-04","22:58:00",""
"7241953","7.394","0.00003","8.9363","0.00007","13.688","0.00006","100.541","0.011","118.408","0.007","103.46","0.008","726.65","0.1","293","","293","","0","","","","","","Sigma Aldrich","5","P -1","-P 1","2","","4-methylpyridine pentachlorophenol","","- C12 H8 Cl5 N O -","- C12 H8 Cl5 N O -","- C24 H16 Cl10 N2 O2 -","2","1","","Funnell, Nicholas P.; Allan, David R.; Maloney, Andrew G. P.; Smith, Ronald I.; Wilson, Cameron J. G.; Parsons, Simon","Suppression of isotopic polymorphism","CrystEngComm","2021","23","4","769","776","10.1039/D0CE01636E","","","0.6889","synchrotron","","0.2496","0.2366","","0.5572","0.5524","0.5572","","","","","","1.6344","","","","has coordinates","261600","2021-02-04","22:58:00",""
"7241954","7.3922","0.00003","8.9272","0.00008","13.6524","0.00009","100.317","0.014","118.354","0.009","103.641","0.009","724.49","0.13","293","","293","","0.21","","","","","","Sigma Aldrich","5","P -1","-P 1","2","","","","- C12 H8 Cl5 N O -","- C12 H8 Cl5 N O -","- C24 H16 Cl10 N2 O2 -","2","1","","Funnell, Nicholas P.; Allan, David R.; Maloney, Andrew G. P.; Smith, Ronald I.; Wilson, Cameron J. G.; Parsons, Simon","Suppression of isotopic polymorphism","CrystEngComm","2021","23","4","769","776","10.1039/D0CE01636E","","","0.6889","synchrotron","","0.163","0.1389","","0.4195","0.389","0.4195","","","","","","1.714","","","","has coordinates","261600","2021-02-04","22:58:00",""
"7241955","7.029","0.00003","8.0085","0.00006","12.0805","0.00006","101.11","0.01","114.232","0.007","104.203","0.008","567.09","0.07","293","","293","","4.57","","","","","","Sigma Aldrich","5","P -1","-P 1","2","","","","- C12 H8 Cl5 N O -","- C12 H8 Cl5 N O -","- C24 H16 Cl10 N2 O2 -","2","1","","Funnell, Nicholas P.; Allan, David R.; Maloney, Andrew G. P.; Smith, Ronald I.; Wilson, Cameron J. G.; Parsons, Simon","Suppression of isotopic polymorphism","CrystEngComm","2021","23","4","769","776","10.1039/D0CE01636E","","","0.6889","synchrotron","","0.1564","0.1352","","0.4498","0.4244","0.4498","","","","","","1.9834","","","","has coordinates","261600","2021-02-04","22:58:00",""
"7241956","7.0954","0.00003","8.2375","0.00007","12.3966","0.00006","100.861","0.011","114.958","0.007","104.5","0.008","599.22","0.08","293","","293","","2.86","","","","","","Sigma Aldrich","5","P -1","-P 1","2","","","","- C12 H8 Cl5 N O -","- C12 H8 Cl5 N O -","- C24 H16 Cl10 N2 O2 -","2","1","","Funnell, Nicholas P.; Allan, David R.; Maloney, Andrew G. P.; Smith, Ronald I.; Wilson, Cameron J. G.; Parsons, Simon","Suppression of isotopic polymorphism","CrystEngComm","2021","23","4","769","776","10.1039/D0CE01636E","","","0.6889","synchrotron","","0.1339","0.1176","","0.4086","0.3845","0.4086","","","","","","1.8296","","","","has coordinates","261600","2021-02-04","22:58:00",""
"7241957","6.7041","0.0008","11.8458","0.001","30.358","0.004","90","","90","","90","","2410.9","0.5","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H33 N5 O7 S -","- C24 H33 N5 O7 S -","- C96 H132 N20 O28 S4 -","4","1","","Zábranský, Martin; Alves, Paula C.; Bravo, Catarina; Duarte, M. Teresa; André, Vânia","From pipemidic acid molecular salts to metal complexes and BioMOFs using mechanochemistry","CrystEngComm","2021","23","5","1099","1109","10.1039/D0CE01533D","","","0.71073","MoKα","","0.107","0.0569","","","0.1036","0.1164","","","","","","0.952","","","","has coordinates","262570","2021-03-05","01:45:54",""
"7241958","6.7095","0.0004","11.8584","0.0006","30.4373","0.0015","90","","90","","90","","2421.7","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H33 N5 O7 S -","- C24 H33 N5 O7 S -","- C96 H132 N20 O28 S4 -","4","1","","Zábranský, Martin; Alves, Paula C.; Bravo, Catarina; Duarte, M. Teresa; André, Vânia","From pipemidic acid molecular salts to metal complexes and BioMOFs using mechanochemistry","CrystEngComm","2021","23","5","1099","1109","10.1039/D0CE01533D","","","0.71073","MoKα","","0.1178","0.0607","","","0.1155","0.131","","","","","","0.957","","","","has coordinates","262570","2021-03-05","01:45:54",""
"7241959","9.8463","0.0008","9.3601","0.0007","18.1965","0.0012","90","","91.888","0.003","90","","1676.1","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 N5 O7 -","- C16 H19 N5 O7 -","- C64 H76 N20 O28 -","4","1","","Zábranský, Martin; Alves, Paula C.; Bravo, Catarina; Duarte, M. Teresa; André, Vânia","From pipemidic acid molecular salts to metal complexes and BioMOFs using mechanochemistry","CrystEngComm","2021","23","5","1099","1109","10.1039/D0CE01533D","","","0.71073","MoKα","","0.0694","0.043","","","0.11","0.1223","","","","","","0.931","","","","has coordinates","262570","2021-03-05","01:45:54",""
"7241960","12.1073","0.0009","6.2472","0.0005","21.321","0.0015","90","","94.374","0.004","90","","1608","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 Cu N12 O12 -","- C28 H34 Cu N12 O12 -","- C56 H68 Cu2 N24 O24 -","2","0.5","","Zábranský, Martin; Alves, Paula C.; Bravo, Catarina; Duarte, M. Teresa; André, Vânia","From pipemidic acid molecular salts to metal complexes and BioMOFs using mechanochemistry","CrystEngComm","2021","23","5","1099","1109","10.1039/D0CE01533D","","","0.71073","MoKα","","0.1353","0.0571","","","0.1171","0.1469","","","","","","1.003","","","","has coordinates","262570","2021-03-05","01:45:54",""
"7241961","7.2922","0.0003","7.8666","0.0003","17.1901","0.0006","81.064","0.002","79.634","0.002","80.387","0.002","948.38","0.06","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H25 N5 O8 -","- C16 H25 N5 O8 -","- C32 H50 N10 O16 -","2","1","","Zábranský, Martin; Alves, Paula C.; Bravo, Catarina; Duarte, M. Teresa; André, Vânia","From pipemidic acid molecular salts to metal complexes and BioMOFs using mechanochemistry","CrystEngComm","2021","23","5","1099","1109","10.1039/D0CE01533D","","","0.71073","MoKα","","0.0937","0.0509","","","0.1234","0.1389","","","","","","0.945","","","","has coordinates","262570","2021-03-05","01:45:54",""
"7241962","7.592","0.0003","15.4924","0.0007","16.2129","0.0008","72.946","0.003","83.283","0.002","81.684","0.002","1798.3","0.14","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H46 N10 O15 -","- C30 H46 N10 O15 -","- C60 H92 N20 O30 -","2","1","","Zábranský, Martin; Alves, Paula C.; Bravo, Catarina; Duarte, M. Teresa; André, Vânia","From pipemidic acid molecular salts to metal complexes and BioMOFs using mechanochemistry","CrystEngComm","2021","23","5","1099","1109","10.1039/D0CE01533D","","","0.71073","MoKα","","0.0896","0.0472","","","0.1066","0.1195","","","","","","0.96","","","","has coordinates","262570","2021-03-05","01:45:54",""
"7241963","25.053","0.0012","10.4016","0.0005","8.0082","0.0003","90","","90","","90","","2086.87","0.16","293","2","298","","","","","","","","","5","P c a 21","P 2c -2ac","29","(Protonated proton sponge) triiodoplumbate, beta phase","(Protonated proton sponge) triiodoplumbate, beta phase","","- C14 H19 I3 N2 Pb -","- C14 H19 I3 N2 Pb -","- C56 H76 I12 N8 Pb4 -","4","1","","Pipitone, Candida; Giannici, Francesco; Martorana, Antonino; Bertolotti, Federica; Calabrese, Gabriele; Milita, Silvia; Guagliardi, Antonietta; Masciocchi, Norberto","Proton sponge lead halides containing 1D polyoctahedral chains","CrystEngComm","2021","23","5","1126","1139","10.1039/D0CE01695K","powder diffraction","","1.5418","CuKα","","","","","","","","","","12","","","","","","","has coordinates","262560","2021-03-05","01:44:09",""
"7241964","28.0408","0.0006","17.385","0.0003","7.88582","0.00016","90","","90","","90","","3844.25","0.13","293","2","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","(Protonated proton sponge) tribromoplumbate","(Protonated proton sponge) triiodoplumbate, alpha phase","","- C14 H19 Br3 N2 Pb -","- C14 H19 Br3 N2 Pb -","- C112 H152 Br24 N16 Pb8 -","8","1","","Pipitone, Candida; Giannici, Francesco; Martorana, Antonino; Bertolotti, Federica; Calabrese, Gabriele; Milita, Silvia; Guagliardi, Antonietta; Masciocchi, Norberto","Proton sponge lead halides containing 1D polyoctahedral chains","CrystEngComm","2021","23","5","1126","1139","10.1039/D0CE01695K","powder diffraction","","1.5418","CuKα","","","","","","","","","","14.2","","","","","","","has coordinates","262560","2021-03-05","01:44:09",""
"7241965","28.8862","0.0004","18.133","0.0002","8.02619","0.0001","90","","90","","90","","4204.07","0.09","293","2","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","(Protonated proton sponge) triiodoplumbate, alpha phase","(Protonated proton sponge) triiodoplumbate, alpha phase","","- C14 H19 I3 N2 Pb -","- C14 H19 I3 N2 Pb -","- C112 H152 I24 N16 Pb8 -","8","1","","Pipitone, Candida; Giannici, Francesco; Martorana, Antonino; Bertolotti, Federica; Calabrese, Gabriele; Milita, Silvia; Guagliardi, Antonietta; Masciocchi, Norberto","Proton sponge lead halides containing 1D polyoctahedral chains","CrystEngComm","2021","23","5","1126","1139","10.1039/D0CE01695K","powder diffraction","","1.5418","CuKα","","","","","","","","","","9.9","","","","","","","has coordinates","262560","2021-03-05","01:44:09",""
"7241966","26.6594","0.0003","9.2333","0.0001","17.6019","0.0002","90","","93.22","0.001","90","","4325.94","0.08","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H16 N16 O7 Rb4 W2 -","- C32 H16 N16 O7 Rb4 W2 -","- C128 H64 N64 O28 Rb16 W8 -","4","1","","Hodorowicz, Maciej; Jurowska, Anna; Szklarzewicz, Janusz","X-ray crystal structures of K+ and Rb+ salts of [W(CN)6(bpy)]2− ion. The unusual cation‒anion interactions and structure changes going from Li+ to Cs+ salts","CrystEngComm","2021","23","5","1207","1217","10.1039/D0CE01674H","","x-ray","0.71073","MoKα","","0.0592","0.0428","","","0.0907","0.0967","","","","","","1.05","","","","has coordinates,has disorder","262564","2021-03-05","01:44:41",""
"7241967","8.4996","0.0002","9.2127","0.0002","14.357","0.0003","89.638","0.002","86.389","0.002","68.804","0.002","1045.92","0.04","200","2","200","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C16 H8 K2 N8 O3 W -","- C16 H8 K2 N8 O3 W -","- C32 H16 K4 N16 O6 W2 -","2","1","","Hodorowicz, Maciej; Jurowska, Anna; Szklarzewicz, Janusz","X-ray crystal structures of K+ and Rb+ salts of [W(CN)6(bpy)]2− ion. The unusual cation‒anion interactions and structure changes going from Li+ to Cs+ salts","CrystEngComm","2021","23","5","1207","1217","10.1039/D0CE01674H","","x-ray","0.71073","MoKα","","0.053","0.0463","","","0.1027","0.106","","","","","","1.023","","","","has coordinates","262564","2021-03-05","01:44:41",""
"7241968","6.73165","0.00019","7.0727","0.0002","7.95197","0.00018","86.2104","0.0017","72.5954","0.0018","85.649","0.002","359.851","0.017","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C8 H16 N6 O6 S2 -","- C8 H16 N6 O6 S2 -","- C8 H16 N6 O6 S2 -","1","0.5","","Abe, Haruka; Kobayashi, Takahiro; Hoshino, Norihisa; Takeda, Takashi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki","Dynamic structural reconstruction of (guanidinium+)2(benzene-1,4-disulfonate2−) host crystal by guest adsorption","CrystEngComm","2021","23","5","1149","1157","10.1039/D0CE01616K","","","1.54187","CuKα","","0.0382","0.0357","","","0.0971","0.0996","","","","","","1.119","","","","has coordinates","262565","2021-03-05","01:44:50",""
"7241969","7.6145","0.0003","12.323","0.0005","15.6653","0.0005","90","","101.077","0.002","90","","1442.54","0.09","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H40 N6 O12 S2 -","- C20 H40 N6 O12 S2 -","- C40 H80 N12 O24 S4 -","2","0.5","","Abe, Haruka; Kobayashi, Takahiro; Hoshino, Norihisa; Takeda, Takashi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki","Dynamic structural reconstruction of (guanidinium+)2(benzene-1,4-disulfonate2−) host crystal by guest adsorption","CrystEngComm","2021","23","5","1149","1157","10.1039/D0CE01616K","","","1.54187","CuKα","","0.0735","0.0581","","","0.1418","0.1535","","","","","","1.009","","","","has coordinates","262565","2021-03-05","01:44:50",""
"7241970","21.384","","8.2026","","9.6041","","90","","90","","90","","1684.6","","100","","100","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H18 N6 O7 S2 -","- C8 H12 N6 O7 S2 -","- C32 H48 N24 O28 S8 -","4","0.5","","Abe, Haruka; Kobayashi, Takahiro; Hoshino, Norihisa; Takeda, Takashi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki","Dynamic structural reconstruction of (guanidinium+)2(benzene-1,4-disulfonate2−) host crystal by guest adsorption","CrystEngComm","2021","23","5","1149","1157","10.1039/D0CE01616K","","","1.54187","CuKα","","0.1168","0.0951","","","0.2893","0.3067","","","","","","1.094","","","","has coordinates","262565","2021-03-05","01:44:50",""
"7241971","7.5488","0.0002","18.0321","0.0006","11.5759","0.0004","90","","91.052","0.006","90","","1575.45","0.09","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H37 N9 O6 S2 -","- C26 H19 N9 O6 S2 -","- C52 H38 N18 O12 S4 -","2","1","","Abe, Haruka; Kobayashi, Takahiro; Hoshino, Norihisa; Takeda, Takashi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki","Dynamic structural reconstruction of (guanidinium+)2(benzene-1,4-disulfonate2−) host crystal by guest adsorption","CrystEngComm","2021","23","5","1149","1157","10.1039/D0CE01616K","","","1.54187","CuKα","","0.0693","0.0517","","","0.1494","0.154","","","","","","1.079","","","","has coordinates","262565","2021-03-05","01:44:50",""
"7241972","7.4854","0.0005","12.0766","0.0007","16.8284","0.001","90","","90.093","0.006","90","","1521.25","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H31 N9 O6 S2 -","- C8 H16 N6 O6 S2 -","- C16 H32 N12 O12 S4 -","2","0.5","","Abe, Haruka; Kobayashi, Takahiro; Hoshino, Norihisa; Takeda, Takashi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki","Dynamic structural reconstruction of (guanidinium+)2(benzene-1,4-disulfonate2−) host crystal by guest adsorption","CrystEngComm","2021","23","5","1149","1157","10.1039/D0CE01616K","","","1.54187","CuKα","","0.1338","0.1099","","","0.3154","0.3472","","","","","","1.177","","","","has coordinates","262565","2021-03-05","01:44:50",""
"7241973","5.94009","0.00017","7.47","0.0002","20.086","0.0006","90","","90.581","0.006","90","","891.22","0.04","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 N8 O6 S2 -","- C12 H20 N8 O6 S2 -","- C24 H40 N16 O12 S4 -","2","0.5","","Abe, Haruka; Kobayashi, Takahiro; Hoshino, Norihisa; Takeda, Takashi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki","Dynamic structural reconstruction of (guanidinium+)2(benzene-1,4-disulfonate2−) host crystal by guest adsorption","CrystEngComm","2021","23","5","1149","1157","10.1039/D0CE01616K","","","1.54187","CuKα","","0.0575","0.0535","","","0.1555","0.1606","","","","","","1.074","","","","has coordinates","262565","2021-03-05","01:44:50",""
"7241974","10.3886","0.0002","7.34813","0.00019","17.1099","0.0003","90","","103.338","0.0013","90","","1270.88","0.05","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H30 N8 O8 S2 -","- C18 H30 N8 O8 S2 -","- C36 H60 N16 O16 S4 -","2","0.5","","Abe, Haruka; Kobayashi, Takahiro; Hoshino, Norihisa; Takeda, Takashi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki","Dynamic structural reconstruction of (guanidinium+)2(benzene-1,4-disulfonate2−) host crystal by guest adsorption","CrystEngComm","2021","23","5","1149","1157","10.1039/D0CE01616K","","","1.54187","CuKα","","0.0414","0.0366","","","0.0996","0.1023","","","","","","1.114","","","","has coordinates","262565","2021-03-05","01:44:50",""
"7241975","7.623","0.0003","16.8745","0.0008","11.809","0.0006","90","","90.488","0.006","90","","1518.99","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H28 N6 O6 S5 -","- C8 H16 N6 O6 S2 -","- C16 H32 N12 O12 S4 -","2","0.5","","Abe, Haruka; Kobayashi, Takahiro; Hoshino, Norihisa; Takeda, Takashi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki","Dynamic structural reconstruction of (guanidinium+)2(benzene-1,4-disulfonate2−) host crystal by guest adsorption","CrystEngComm","2021","23","5","1149","1157","10.1039/D0CE01616K","","","1.54187","CuKα","","0.1118","0.095","","","0.2899","0.3084","","","","","","1.083","","","","has coordinates","262565","2021-03-05","01:44:50",""
"7241976","5.6333","0.0002","8.584","0.0004","19.6694","0.0009","90","","92.189","0.004","90","","950.44","0.07","300","","300","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 Br0.25 Cl0.75 N O2 -","- C9 H10 Br0.25 Cl0.75 N O2 -","- C36 H40 Br Cl3 N4 O8 -","4","1","","Pandolfi, Lorenzo; Giunchi, Andrea; Salzillo, Tommaso; Brillante, Aldo; Della Valle, Raffaele G.; Venuti, Elisabetta; Grepioni, Fabrizia; D'Agostino, Simone","The impact of solid solution composition on kinetics and mechanism of [2 + 2] photodimerization of cinnamic acid derivatives","CrystEngComm","2021","23","6","1352","1359","10.1039/D0CE01718C","","","0.71073","MoKα","","0.0783","0.0524","","","0.1245","0.1396","","","","","","1.068","","","","has coordinates","262578","2021-03-05","01:47:08",""
"7241977","5.7177","0.0002","8.6998","0.0004","19.404","0.0009","90","","92.21","0.004","90","","964.49","0.07","300","","300","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 Br0.5 Cl0.5 N O2 -","- C9 H10 Br0.5 Cl0.5 N O2 -","- C36 H40 Br2 Cl2 N4 O8 -","4","1","","Pandolfi, Lorenzo; Giunchi, Andrea; Salzillo, Tommaso; Brillante, Aldo; Della Valle, Raffaele G.; Venuti, Elisabetta; Grepioni, Fabrizia; D'Agostino, Simone","The impact of solid solution composition on kinetics and mechanism of [2 + 2] photodimerization of cinnamic acid derivatives","CrystEngComm","2021","23","6","1352","1359","10.1039/D0CE01718C","","x-ray","0.71073","MoKα","","0.0854","0.0552","","","0.1095","0.122","","","","","","1.0283","","","","has coordinates","262578","2021-03-05","01:47:14",""
"7241978","5.6612","0.0004","8.6217","0.0007","19.164","0.002","90","","91.532","0.008","90","","935.04","0.14","300","","300","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 Br0.25 Cl0.75 N O2 -","- C9 H10 Br0.25 Cl0.75 N O2 -","- C36 H40 Br Cl3 N4 O8 -","4","1","","Pandolfi, Lorenzo; Giunchi, Andrea; Salzillo, Tommaso; Brillante, Aldo; Della Valle, Raffaele G.; Venuti, Elisabetta; Grepioni, Fabrizia; D'Agostino, Simone","The impact of solid solution composition on kinetics and mechanism of [2 + 2] photodimerization of cinnamic acid derivatives","CrystEngComm","2021","23","6","1352","1359","10.1039/D0CE01718C","","x-ray","0.71073","MoKα","","0.1312","0.058","","","0.1325","0.1765","","","","","","1.001","","","","has coordinates,has disorder","262578","2021-03-05","01:47:14",""
"7241979","5.829","0.0016","8.757","0.002","18.712","0.008","90","","91.96","0.03","90","","954.6","0.5","300","","300","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 Br0.75 Cl0.25 N O2 -","- C9 H10 Br0.75 Cl0.25 N O2 -","- C36 H40 Br3 Cl N4 O8 -","4","1","","Pandolfi, Lorenzo; Giunchi, Andrea; Salzillo, Tommaso; Brillante, Aldo; Della Valle, Raffaele G.; Venuti, Elisabetta; Grepioni, Fabrizia; D'Agostino, Simone","The impact of solid solution composition on kinetics and mechanism of [2 + 2] photodimerization of cinnamic acid derivatives","CrystEngComm","2021","23","6","1352","1359","10.1039/D0CE01718C","","","0.71073","MoKα","","0.1654","0.1319","","","0.3203","0.3464","","","","","","1.058","","","","has coordinates,has disorder","262578","2021-03-05","01:47:14",""
"7241980","5.8421","0.0007","8.2764","0.0014","18.838","0.003","90","","92.673","0.013","90","","909.9","0.2","300","","300","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H11 Br0.25 Cl0.75 N O2 -","- C9 H10 Br0.25 Cl0.75 N O2 -","- C36 H40 Br Cl3 N4 O8 -","4","1","","Pandolfi, Lorenzo; Giunchi, Andrea; Salzillo, Tommaso; Brillante, Aldo; Della Valle, Raffaele G.; Venuti, Elisabetta; Grepioni, Fabrizia; D'Agostino, Simone","The impact of solid solution composition on kinetics and mechanism of [2 + 2] photodimerization of cinnamic acid derivatives","CrystEngComm","2021","23","6","1352","1359","10.1039/D0CE01718C","","x-ray","0.71073","MoKα","","0.1398","0.0898","","","0.2217","0.2608","","","","","","1.089","","","","has coordinates","262578","2021-03-05","01:47:14",""
"7241981","5.7913","0.0003","8.792","0.0006","19.0844","0.0018","90","","92.462","0.006","90","","970.83","0.12","300","","300","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 Br0.75 Cl0.25 N O2 -","- C9 H10 Br0.75 Cl0.25 N O2 -","- C36 H40 Br3 Cl N4 O8 -","4","1","","Pandolfi, Lorenzo; Giunchi, Andrea; Salzillo, Tommaso; Brillante, Aldo; Della Valle, Raffaele G.; Venuti, Elisabetta; Grepioni, Fabrizia; D'Agostino, Simone","The impact of solid solution composition on kinetics and mechanism of [2 + 2] photodimerization of cinnamic acid derivatives","CrystEngComm","2021","23","6","1352","1359","10.1039/D0CE01718C","","","0.71073","MoKα","","0.0733","0.0439","","","0.0822","0.0918","","","","","","1.068","","","","has coordinates","262578","2021-03-05","01:47:14",""
"7241982","5.9566","0.0006","8.7112","0.0009","18.065","0.003","90","","92.015","0.012","90","","936.8","0.2","300","","300","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 Br0.75 Cl0.25 N O2 -","- C9 H10 Br0.75 Cl0.25 N O2 -","- C36 H40 Br3 Cl N4 O8 -","4","1","","Pandolfi, Lorenzo; Giunchi, Andrea; Salzillo, Tommaso; Brillante, Aldo; Della Valle, Raffaele G.; Venuti, Elisabetta; Grepioni, Fabrizia; D'Agostino, Simone","The impact of solid solution composition on kinetics and mechanism of [2 + 2] photodimerization of cinnamic acid derivatives","CrystEngComm","2021","23","6","1352","1359","10.1039/D0CE01718C","","","0.71073","MoKα","","0.1601","0.0678","","","0.1515","0.1938","","","","","","1.022","","","","has coordinates","262578","2021-03-05","01:47:14",""
"7241983","5.8044","0.0007","8.6743","0.0012","18.561","0.003","90","","91.675","0.012","90","","934.1","0.2","300","","300","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 Br0.5 Cl0.5 N O2 -","- C9.056 H10 Br0.5 Cl0.5 N O2 -","- C36.224 H40 Br2 Cl2 N4 O8 -","4","1","","Pandolfi, Lorenzo; Giunchi, Andrea; Salzillo, Tommaso; Brillante, Aldo; Della Valle, Raffaele G.; Venuti, Elisabetta; Grepioni, Fabrizia; D'Agostino, Simone","The impact of solid solution composition on kinetics and mechanism of [2 + 2] photodimerization of cinnamic acid derivatives","CrystEngComm","2021","23","6","1352","1359","10.1039/D0CE01718C","","x-ray","0.71073","MoKα","","0.1261","0.0783","","","0.1594","0.184","","","","","","1.153","","","","has coordinates,has disorder","262578","2021-03-05","01:47:14",""
"7241984","5.91","0.0004","8.612","0.001","18.0253","0.0016","90","","91.628","0.007","90","","917.06","0.15","300","","300","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Br Cl N2 O4 -","- C18 H20 Br Cl N2 O4 -","- C36 H40 Br2 Cl2 N4 O8 -","2","0.5","","Pandolfi, Lorenzo; Giunchi, Andrea; Salzillo, Tommaso; Brillante, Aldo; Della Valle, Raffaele G.; Venuti, Elisabetta; Grepioni, Fabrizia; D'Agostino, Simone","The impact of solid solution composition on kinetics and mechanism of [2 + 2] photodimerization of cinnamic acid derivatives","CrystEngComm","2021","23","6","1352","1359","10.1039/D0CE01718C","","","0.71073","MoKα","","0.1183","0.0692","","","0.1168","0.1339","","","","","","1.153","","","","has coordinates","262578","2021-03-05","01:47:14",""
"7241988","3.849","0.006","9.074","0.015","10.642","0.017","81.17","0.04","79.73","0.02","77.77","0.02","354.8","1","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C3 H6 Br Cu N6 -","- C3 H6 Br Cu N6 -","- C6 H12 Br2 Cu2 N12 -","2","1","","Hou, Qin; Yang, Qingfeng; Miao, Chengxia; Duan, Junling; Zhang, Yuanhong; Ai, Shiyun","Efficient removal of Pb2+ and Cd2+ using a Cu(i)‒Br coordination polymer constructed with an amino-rich ligand","CrystEngComm","2021","23","6","1489","1496","10.1039/D0CE01785J","","","0.71073","MoKα","","0.0985","0.0686","","","0.1737","0.1887","","","","","","0.985","","","","has coordinates","262579","2021-03-05","01:47:18",""
"7241989","12.4204","0.0005","21.5953","0.0007","16.3081","0.0006","90","","102.907","0.004","90","","4263.7","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H16 N Nd O7.5 -","- C21 H16 N Nd O7.5 -","- C168 H128 N8 Nd8 O60 -","8","1","","Chatenever, Ana R. K.; Ehlke, Beatriz; Le Maguerès, Pierre; Reinheimer, Eric W.; Song, Xueling; Fei, Honghan; Oliver, Scott R. J.","Structural diversity of four lanthanide metal‒organic frameworks based on 2,6-naphthalenedicarboxylate: synthesis, structures and photoluminescent properties","CrystEngComm","2021","23","6","1388","1397","10.1039/D0CE01448F","","x-ray","0.71073","MoKα","","0.0288","0.0254","","","0.0675","0.0688","","","","","","1.075","","","","has coordinates,has disorder","262580","2021-03-05","01:47:29",""
"7241990","19.4366","0.0009","8.7643","0.0004","45.084","0.002","90","","90","","90","","7680","0.6","120","2","120.01","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C84 H64 Gd4 N4 O28 -","- C84 H64 Gd4 N4 O28 -","- C336 H256 Gd16 N16 O112 -","4","1","","Chatenever, Ana R. K.; Ehlke, Beatriz; Le Maguerès, Pierre; Reinheimer, Eric W.; Song, Xueling; Fei, Honghan; Oliver, Scott R. J.","Structural diversity of four lanthanide metal‒organic frameworks based on 2,6-naphthalenedicarboxylate: synthesis, structures and photoluminescent properties","CrystEngComm","2021","23","6","1388","1397","10.1039/D0CE01448F","","","0.71073","MoKα","","0.0897","0.0508","","","0.0842","0.0962","","","","","","1.005","","","","has coordinates,has disorder","262580","2021-03-05","01:47:30",""
"7241991","11.9185","0.0003","21.873","0.0005","16.5342","0.0004","90","","100.476","0.002","90","","4238.51","0.18","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H39 Eu2 N3 O15 -","- C45 H39 Eu2 N3 O15 -","- C180 H156 Eu8 N12 O60 -","4","1","","Chatenever, Ana R. K.; Ehlke, Beatriz; Le Maguerès, Pierre; Reinheimer, Eric W.; Song, Xueling; Fei, Honghan; Oliver, Scott R. J.","Structural diversity of four lanthanide metal‒organic frameworks based on 2,6-naphthalenedicarboxylate: synthesis, structures and photoluminescent properties","CrystEngComm","2021","23","6","1388","1397","10.1039/D0CE01448F","","x-ray","0.71073","MoKα","","0.0353","0.022","","","0.0462","0.0499","","","","","","1.025","","","","has coordinates","262580","2021-03-05","01:47:30",""
"7241992","13.2526","0.0008","14.3785","0.0008","19.9214","0.001","70.927","0.005","74.63","0.005","75.542","0.005","3403.5","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C135 H121 La6 N9 O47 -","- C135 H121 La6 N9 O47 -","- C135 H121 La6 N9 O47 -","1","0.5","","Chatenever, Ana R. K.; Ehlke, Beatriz; Le Maguerès, Pierre; Reinheimer, Eric W.; Song, Xueling; Fei, Honghan; Oliver, Scott R. J.","Structural diversity of four lanthanide metal‒organic frameworks based on 2,6-naphthalenedicarboxylate: synthesis, structures and photoluminescent properties","CrystEngComm","2021","23","6","1388","1397","10.1039/D0CE01448F","","x-ray","1.54184","CuKα","","0.0624","0.043","","","0.103","0.1171","","","","","","1.047","","","","has coordinates,has disorder","262580","2021-03-05","01:47:30",""
"7241993","10.7683","0.0013","12.9615","0.0015","13.7053","0.0016","75.796","0.003","69.498","0.004","67.431","0.003","1640.8","0.3","150.15","","150.15","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H18 Cu2 N2 O7 S -","- C26 H18 Cu2 N2 O7 S -","- C52 H36 Cu4 N4 O14 S2 -","2","1","","Wang, Wen-Juan; Liu, Jiao; Yan, Yang-Tian; Yang, Xiao-Li; Zhang, Wen-Yan; Yang, Guo-Ping; Wang, Yao-Yu","Uncommon thioether-modified metal‒organic frameworks with unique selective CO2 sorption and efficient catalytic conversion","CrystEngComm","2021","23","6","1447","1454","10.1039/D0CE01784A","","","0.71073","MoKα","","0.0403","0.0367","","","0.104","0.1066","","","","","","1.05","","","","has coordinates","262577","2021-03-05","01:46:54",""
"7241994","27.221","0.002","15.4625","0.0013","13.364","0.0011","90","","117.265","0.001","90","","5000","0.7","296.15","","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H46 Mn3 N4 O15 S2 -","- C50 H46 Mn3 N4 O15 S2 -","- C200 H184 Mn12 N16 O60 S8 -","4","0.5","","Wang, Wen-Juan; Liu, Jiao; Yan, Yang-Tian; Yang, Xiao-Li; Zhang, Wen-Yan; Yang, Guo-Ping; Wang, Yao-Yu","Uncommon thioether-modified metal‒organic frameworks with unique selective CO2 sorption and efficient catalytic conversion","CrystEngComm","2021","23","6","1447","1454","10.1039/D0CE01784A","","","0.71073","MoKα","","0.054","0.0418","","","0.1093","0.1165","","","","","","1.042","","","","has coordinates,has disorder","262577","2021-03-05","01:46:54",""
"7241995","5.8453","0.0012","21.435","0.005","13.955","0.003","90","","95.506","0.003","90","","1740.4","0.7","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","ADENOSINE-3',5'-CYCLIC PHOSPHATE SODIUM;CYCLIC AMP SODIUM SALT; 3',5'-CYCLIC AMP NA","Adenosine 3',5'-Cyclic Monophosphate Sodium Salt Hydrate","","- C20 H38 N10 Na2 O20 P2 -","- C20 H38 N10 Na2 O20 P2 -","- C40 H76 N20 Na4 O40 P4 -","2","1","","Yang, Pengpeng; Jin, Junyang; Wen, Qingshi; Lin, Chenguang; Fu, JinQiu; Zhuang, Wei; Wu, Jinglan; Liu, Dong; Zhu, Chenjie; Ying, Hanjie","Hydrates of adenosine 3′,5′-cyclic monophosphate sodium and their transformation","CrystEngComm","2021","23","1","174","184","10.1039/D0CE01180K","","","0.71073","MoKα","","0.0268","0.026","","","0.0657","0.0665","","","","","","1.07","","","","has coordinates","261585","2021-02-04","22:54:26",""
"7241996","10.9535","0.0015","10.9535","0.0015","22.449","0.005","90","","90","","120","","2332.6","0.7","293","2","293","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C10 H15 N5 Na O8 P -","- C10 H15 N5 Na O8 P -","- C60 H90 N30 Na6 O48 P6 -","6","1","","Yang, Pengpeng; Jin, Junyang; Wen, Qingshi; Lin, Chenguang; Fu, JinQiu; Zhuang, Wei; Wu, Jinglan; Liu, Dong; Zhu, Chenjie; Ying, Hanjie","Hydrates of adenosine 3′,5′-cyclic monophosphate sodium and their transformation","CrystEngComm","2021","23","1","174","184","10.1039/D0CE01180K","","","0.71073","MoKα","","0.0825","0.0547","","","0.1413","0.1582","","","","","","1.005","","","","has coordinates","261585","2021-02-04","22:54:26",""
"7241997","10.4292","0.0002","15.3858","0.0003","26.9006","0.0004","90","","90","","90","","4316.51","0.13","133.15","","133.15","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C13 H38 Mg2 N2 O21 Pt S4 -","- C13 H38 Mg2 N2 O21 Pt S4 -","- C52 H152 Mg8 N8 O84 Pt4 S16 -","4","0.5","","Liebing, Phil; Oehler, Florian; Witzorke, Juliane; Schmeide, Marten","From zero- to three-dimensional heterobimetallic coordination polymers with the [Pt{SSC-N(CH2COO)2}2]4− metalloligand","CrystEngComm","2020","22","45","7838","7846","10.1039/D0CE01389G","","","0.71073","MoKα","","0.0313","0.0272","","","0.0656","0.0673","","","","","","1.15","","","","has coordinates,has disorder","260336","2021-01-01","04:05:15",""
"7241998","6.2643","0.0003","13.6027","0.0007","14.2439","0.0006","117.142","0.003","92.957","0.004","99.353","0.004","1054.74","0.09","133.15","","133.15","","","","","","","","","7","P -1","-P 1","2","","","","- C10 H32 N2 Ni2 O20 Pt S4 -","- C10 H32 N2 Ni2 O20 Pt S4 -","- C10 H32 N2 Ni2 O20 Pt S4 -","1","0.5","","Liebing, Phil; Oehler, Florian; Witzorke, Juliane; Schmeide, Marten","From zero- to three-dimensional heterobimetallic coordination polymers with the [Pt{SSC-N(CH2COO)2}2]4− metalloligand","CrystEngComm","2020","22","45","7838","7846","10.1039/D0CE01389G","","","0.71073","MoKα","","0.0333","0.0274","","","0.0666","0.0701","","","","","","1.044","","","","has coordinates","260336","2021-01-01","04:05:15",""
"7241999","6.7533","0.0003","7.4688","0.0004","11.335","0.0005","103.51","0.004","97.371","0.004","103.462","0.004","530.45","0.05","133.15","","133.15","","","","","","","","","7","P -1","-P 1","2","","","","- C10 H16 Cd2 N2 O12 Pt S4 -","- C10 H16 Cd2 N2 O12 Pt S4 -","- C10 H16 Cd2 N2 O12 Pt S4 -","1","0.5","","Liebing, Phil; Oehler, Florian; Witzorke, Juliane; Schmeide, Marten","From zero- to three-dimensional heterobimetallic coordination polymers with the [Pt{SSC-N(CH2COO)2}2]4− metalloligand","CrystEngComm","2020","22","45","7838","7846","10.1039/D0CE01389G","","","0.71073","MoKα","","0.0172","0.0167","","","0.0442","0.0445","","","","","","1.104","","","","has coordinates","260336","2021-01-01","04:05:16",""
"7242000","25.8063","0.0006","10.7668","0.0002","23.2567","0.0005","90","","90.72","0.002","90","","6461.4","0.2","133.15","","133.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C10 H26 Mn2 N2 O17 Pt S4 -","- C10 H26 Mn2 N2 O17 Pt S4 -","- C80 H208 Mn16 N16 O136 Pt8 S32 -","8","1","","Liebing, Phil; Oehler, Florian; Witzorke, Juliane; Schmeide, Marten","From zero- to three-dimensional heterobimetallic coordination polymers with the [Pt{SSC-N(CH2COO)2}2]4− metalloligand","CrystEngComm","2020","22","45","7838","7846","10.1039/D0CE01389G","","","0.71073","MoKα","","0.031","0.0291","","","0.0716","0.0726","","","","","","1.03","","","","has coordinates","260336","2021-01-01","04:05:16",""
"7242001","6.8663","0.0006","7.9281","0.0007","11.5395","0.001","94.147","0.007","101.197","0.007","114.893","0.007","550.53","0.09","133.15","","133.15","","","","","","","","","7","P -1","-P 1","2","","","","- C10 H16 N2 O12 Pt S4 Sr2 -","- C10 H16 N2 O12 Pt S4 Sr2 -","- C10 H16 N2 O12 Pt S4 Sr2 -","1","0.5","","Liebing, Phil; Oehler, Florian; Witzorke, Juliane; Schmeide, Marten","From zero- to three-dimensional heterobimetallic coordination polymers with the [Pt{SSC-N(CH2COO)2}2]4− metalloligand","CrystEngComm","2020","22","45","7838","7846","10.1039/D0CE01389G","","","0.71073","MoKα","","0.0849","0.0597","","","0.1477","0.1799","","","","","","1.188","","","","has coordinates","260336","2021-01-01","04:05:16",""
"7242002","6.319","0.0002","13.7134","0.0004","16.9778","0.0006","90","","97.989","0.003","90","","1456.93","0.08","133.15","","133.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C10 H36 Fe2 N2 O22 Pt S4 -","- C10 H36 Fe2 N2 O22 Pt S4 -","- C20 H72 Fe4 N4 O44 Pt2 S8 -","2","0.5","","Liebing, Phil; Oehler, Florian; Witzorke, Juliane; Schmeide, Marten","From zero- to three-dimensional heterobimetallic coordination polymers with the [Pt{SSC-N(CH2COO)2}2]4− metalloligand","CrystEngComm","2020","22","45","7838","7846","10.1039/D0CE01389G","","","0.71073","MoKα","","0.0382","0.0294","","","0.0587","0.0616","","","","","","1.184","","","","has coordinates","260336","2021-01-01","04:05:16",""
"7242003","6.2781","0.0004","13.6869","0.0011","14.2519","0.001","117.626","0.005","92.748","0.006","100.521","0.006","1054.34","0.15","133.15","","133.15","","","","","","","","","7","P -1","-P 1","2","","","","- C10 H32 Co2 N2 O20 Pt S4 -","- C10 H32 Co2 N2 O20 Pt S4 -","- C10 H32 Co2 N2 O20 Pt S4 -","1","0.5","","Liebing, Phil; Oehler, Florian; Witzorke, Juliane; Schmeide, Marten","From zero- to three-dimensional heterobimetallic coordination polymers with the [Pt{SSC-N(CH2COO)2}2]4− metalloligand","CrystEngComm","2020","22","45","7838","7846","10.1039/D0CE01389G","","","0.71073","MoKα","","0.0508","0.0405","","","0.0983","0.107","","","","","","1.059","","","","has coordinates","260336","2021-01-01","04:05:16",""
"7242004","10.5366","0.0004","10.7815","0.0004","12.2029","0.0005","97.258","0.001","98.196","0.001","117.932","0.001","1182.32","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H18 N4 O8 Sm -","- C25 H18 N4 O8 Sm -","- C50 H36 N8 O16 Sm2 -","2","1","","Liu, Dongmei; Dong, Gaoyun; Wang, Xiong; Nie, Fengmei; Li, Xia","A luminescent Eu coordination polymer with near-visible excitation for sensing and its homologues constructed from 1,4-benzenedicarboxylate and 1H-imidazo[4,5-f][1,10]-phenanthroline","CrystEngComm","2020","22","45","7877","7887","10.1039/D0CE01256D","","","0.71073","MoKα","","0.0455","0.0332","","","0.0714","0.0752","","","","","","1.059","","","","has coordinates","260337","2021-01-01","04:11:28",""
"7242005","10.4665","0.0004","10.692","0.0004","12.2202","0.0005","96.974","0.001","98.572","0.001","117.604","0.001","1169.68","0.08","153","2","153.15","","","","","","","","","5","P -1","-P 1","2","","","","- C50 H37 Dy2 N8 O16.5 -","- C50 H37 Dy2 N8 O16.5 -","- C50 H37 Dy2 N8 O16.5 -","1","0.5","","Liu, Dongmei; Dong, Gaoyun; Wang, Xiong; Nie, Fengmei; Li, Xia","A luminescent Eu coordination polymer with near-visible excitation for sensing and its homologues constructed from 1,4-benzenedicarboxylate and 1H-imidazo[4,5-f][1,10]-phenanthroline","CrystEngComm","2020","22","45","7877","7887","10.1039/D0CE01256D","","","0.71073","MoKα","","0.0405","0.0358","","","0.085","0.0876","","","","","","1.038","","","","has coordinates","260337","2021-01-01","04:11:28",""
"7242006","10.4833","0.0004","10.712","0.0004","12.2096","0.0005","97.082","0.001","98.465","0.001","117.663","0.001","1172.06","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H18 N4 O8 Tb -","- C25 H18 N4 O8 Tb -","- C50 H36 N8 O16 Tb2 -","2","1","","Liu, Dongmei; Dong, Gaoyun; Wang, Xiong; Nie, Fengmei; Li, Xia","A luminescent Eu coordination polymer with near-visible excitation for sensing and its homologues constructed from 1,4-benzenedicarboxylate and 1H-imidazo[4,5-f][1,10]-phenanthroline","CrystEngComm","2020","22","45","7877","7887","10.1039/D0CE01256D","","","0.71073","MoKα","","0.0292","0.0255","","","0.0643","0.066","","","","","","1.054","","","","has coordinates","260337","2021-01-01","04:11:28",""
"7242007","10.5279","0.0008","10.7664","0.0008","12.2112","0.0016","97.308","0.002","98.164","0.001","117.842","0.001","1181.5","0.2","294","2","294.15","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H18 Eu N4 O8 -","- C25 H18 Eu N4 O8 -","- C50 H36 Eu2 N8 O16 -","2","1","","Liu, Dongmei; Dong, Gaoyun; Wang, Xiong; Nie, Fengmei; Li, Xia","A luminescent Eu coordination polymer with near-visible excitation for sensing and its homologues constructed from 1,4-benzenedicarboxylate and 1H-imidazo[4,5-f][1,10]-phenanthroline","CrystEngComm","2020","22","45","7877","7887","10.1039/D0CE01256D","","","0.71073","MoKα","","0.0332","0.0301","","","0.0817","0.0902","","","","","","1.086","","","","has coordinates","260337","2021-01-01","04:11:28",""
"7242008","10.502","0.0004","10.7425","0.0004","12.2129","0.0005","97.093","0.001","98.38","0.001","117.775","0.001","1176.88","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H18 Gd N4 O8 -","- C25 H18 Gd N4 O8 -","- C50 H36 Gd2 N8 O16 -","2","1","","Liu, Dongmei; Dong, Gaoyun; Wang, Xiong; Nie, Fengmei; Li, Xia","A luminescent Eu coordination polymer with near-visible excitation for sensing and its homologues constructed from 1,4-benzenedicarboxylate and 1H-imidazo[4,5-f][1,10]-phenanthroline","CrystEngComm","2020","22","45","7877","7887","10.1039/D0CE01256D","","","0.71073","MoKα","","0.0315","0.0293","","","0.0785","0.0801","","","","","","1.112","","","","has coordinates","260337","2021-01-01","04:11:28",""
"7242009","14.163","0.017","10.101","0.012","10.664","0.012","90","","106.827","0.015","90","","1460","3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- B11 H2 K O18 -","- B11 H2 K O18 -","- B44 H8 K4 O72 -","4","0.5","","Chen, Zhen; Guo, Jingyu; Han, Shujuan; Zeng, Hao; Yang, Zhihua; Pan, Shilie","AB11O16(OH)2 (A = K and Cs): interpenetrating 2D layers with large birefringence","CrystEngComm","2021","23","1","35","39","10.1039/D0CE01569E","","","0.71073","MoKα","","0.0652","0.0443","","","0.0913","0.1014","","","","","","1.045","","","","has coordinates","261595","2021-02-04","22:57:07",""
"7242010","14.183","0.007","10.192","0.005","11.348","0.005","90","","106.022","0.006","90","","1576.7","1.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- B11 Cs H2 O18 -","- B11 Cs H2 O18 -","- B44 Cs4 H8 O72 -","4","0.5","","Chen, Zhen; Guo, Jingyu; Han, Shujuan; Zeng, Hao; Yang, Zhihua; Pan, Shilie","AB11O16(OH)2 (A = K and Cs): interpenetrating 2D layers with large birefringence","CrystEngComm","2021","23","1","35","39","10.1039/D0CE01569E","","","0.71073","MoKα","","0.0663","0.0488","","","0.0762","0.0812","","","","","","0.932","","","","has coordinates","261595","2021-02-04","22:57:07",""
"7242011","12.8502","0.0005","25.0643","0.001","15.0803","0.0006","90","","100.722","0.001","90","","4772.3","0.3","296.15","","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H42 Co2 N4 O15 P4 Si -","- C44 H40 Co2 N4 O15 P4 Si -","- C176 H160 Co8 N16 O60 P16 Si4 -","4","1","","Min, Xue; Tian, Hong-rui; Li, Ming; Tian, Di","Fabrication of new structures from a 3D cobalt phosphonate network: structural transformation and proton conductivity investigation","CrystEngComm","2021","23","4","876","883","10.1039/D0CE01508C","","","0.71073","MoKα","","0.0639","0.0453","","","0.1176","0.1294","","","","","","1.028","","","","has coordinates","261610","2021-02-04","22:59:42",""
"7242012","14.8494","0.0014","14.9534","0.0013","15.098","0.0013","67.608","0.002","88.443","0.002","64.186","0.002","2751.4","0.4","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C44 H60 Co2 N4 O24 P4 Si -","- C44 H60 Co2 N4 O24 P4 Si -","- C88 H120 Co4 N8 O48 P8 Si2 -","2","1","","Min, Xue; Tian, Hong-rui; Li, Ming; Tian, Di","Fabrication of new structures from a 3D cobalt phosphonate network: structural transformation and proton conductivity investigation","CrystEngComm","2021","23","4","876","883","10.1039/D0CE01508C","","","0.71073","MoKα","","0.0959","0.0587","","","0.1309","0.1514","","","","","","1.037","","","","has coordinates,has disorder","261610","2021-02-04","22:59:42",""
"7242013","25.3454","0.001","14.9757","0.0006","21.3503","0.0008","90","","106.49","0.001","90","","7770.5","0.5","296.15","","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H29.5 Co2 N2 O14 P4 Si -","- C34 H29.5 Co2 N2 O14 P4 Si -","- C272 H236 Co16 N16 O112 P32 Si8 -","8","1","","Min, Xue; Tian, Hong-rui; Li, Ming; Tian, Di","Fabrication of new structures from a 3D cobalt phosphonate network: structural transformation and proton conductivity investigation","CrystEngComm","2021","23","4","876","883","10.1039/D0CE01508C","","","0.71073","MoKα","","0.0561","0.0401","","","0.1063","0.116","","","","","","1.043","","","","has coordinates","261610","2021-02-04","22:59:42",""
"7242014","13.683","0.0009","14.9714","0.001","15.0532","0.001","61.509","0.001","68.125","0.001","64.224","0.001","2386.9","0.3","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C44 H42 Co2 N4 O15 P4 Si -","- C44 H42 Co2 N4 O15 P4 Si -","- C88 H84 Co4 N8 O30 P8 Si2 -","2","1","","Min, Xue; Tian, Hong-rui; Li, Ming; Tian, Di","Fabrication of new structures from a 3D cobalt phosphonate network: structural transformation and proton conductivity investigation","CrystEngComm","2021","23","4","876","883","10.1039/D0CE01508C","","","0.71073","MoKα","","0.0518","0.04","","","0.0965","0.1039","","","","","","1.039","","","","has coordinates","261610","2021-02-04","22:59:42",""
"7242015","13.864","0.011","12.086","0.011","14.994","0.012","90","","111.62","0.02","90","","2336","3","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 N4 O6 -","- C26 H28 N4 O6 -","- C104 H112 N16 O24 -","4","0.5","","Tripathi, Suparna; Islam, Samiul; Seth, Saikat Kumar; Bauzá, Antonio; Frontera, Antonio; Mukhopadhyay, Subrata","Supramolecular assemblies involving salt bridges: DFT and X-ray evidence of bipolarity","CrystEngComm","2020","22","47","8171","8181","10.1039/D0CE01356K","","","0.71073","MoKα","","0.054","0.0494","","","0.132","0.1371","","","","","","1.084","","","","has coordinates","260359","2021-01-02","02:31:04",""
"7242016","7.075","0.003","19.857","0.002","12.811","0.002","90","","94.991","0.002","90","","1793","0.8","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 N2 O5 -","- C20 H18 N2 O5 -","- C80 H72 N8 O20 -","4","1","","Tripathi, Suparna; Islam, Samiul; Seth, Saikat Kumar; Bauzá, Antonio; Frontera, Antonio; Mukhopadhyay, Subrata","Supramolecular assemblies involving salt bridges: DFT and X-ray evidence of bipolarity","CrystEngComm","2020","22","47","8171","8181","10.1039/D0CE01356K","","","0.71073","MoKα","","0.0435","0.0355","","","0.0927","0.0995","","","","","","1.04","","","","has coordinates","260359","2021-01-02","02:31:04",""
"7242017","6.855","0.004","7.642","0.003","24.281","0.004","90.019","0.003","92.555","0.002","107.022","0.004","1214.9","0.9","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H28 N4 O6 -","- C26 H28 N4 O6 -","- C52 H56 N8 O12 -","2","1","","Tripathi, Suparna; Islam, Samiul; Seth, Saikat Kumar; Bauzá, Antonio; Frontera, Antonio; Mukhopadhyay, Subrata","Supramolecular assemblies involving salt bridges: DFT and X-ray evidence of bipolarity","CrystEngComm","2020","22","47","8171","8181","10.1039/D0CE01356K","","","0.71073","MoKα","","0.0388","0.0339","","","0.091","0.0947","","","","","","1.047","","","","has coordinates","260359","2021-01-02","02:31:04",""
"7242018","13.9934","0.0011","14.1253","0.0011","19.0474","0.0015","76.683","0.002","68.564","0.002","85.169","0.003","3410.3","0.5","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H74 Co2 I3 K N4 O14 -","- C64 H74 Co2 I3 K N4 O14 -","- C128 H148 Co4 I6 K2 N8 O28 -","2","1","","Ghosh, Kousik; Frontera, Antonio; Chattopadhyay, Shouvik","A theoretical insight on the anion⋯anion interactions observed in the solid state structure of a hetero-trinuclear complex","CrystEngComm","2021","23","6","1429","1438","10.1039/D0CE01513J","","","0.71073","MoKα","","0.0627","0.0544","","","0.1766","0.1915","","","","","","1.183","","","","has coordinates","262576","2021-03-05","01:46:48",""
"7242021","21.079","0.002","6.9804","0.0006","9.4823","0.0013","90","","100.721","0.011","90","","1370.9","0.3","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C7 H17 Ag I2 N4 O -","- C7 H15 Ag I2 N4 O -","- C28 H60 Ag4 I8 N16 O4 -","4","0.5","","Xue, Zhen-Zhen; Wang, A-Ni; Wei, Qi; Wei, Li; Han, Song-De; Pan, Jie","Template syntheses of diverse haloargentates with reversible photochromism behaviors and efficient photocatalytic properties","CrystEngComm","2021","23","7","1588","1595","10.1039/D0CE01642J","","","0.71073","MoKα","","0.0426","0.0344","","","0.0771","0.0808","","","","","","1.059","","","","has coordinates","262591","2021-03-05","01:49:21",""
"7242022","9.7304","0.0016","7.1624","0.0008","11.7858","0.0017","90","","111.815","0.018","90","","762.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C7 H15 Ag2 I3 N4 -","- C7 H15 Ag2 I3 N4 -","- C14 H30 Ag4 I6 N8 -","2","0.5","","Xue, Zhen-Zhen; Wang, A-Ni; Wei, Qi; Wei, Li; Han, Song-De; Pan, Jie","Template syntheses of diverse haloargentates with reversible photochromism behaviors and efficient photocatalytic properties","CrystEngComm","2021","23","7","1588","1595","10.1039/D0CE01642J","","","0.71073","MoKα","","0.0451","0.0361","","","0.0937","0.1013","","","","","","1.035","","","","has coordinates","262591","2021-03-05","01:49:21",""
"7242023","9.6337","0.0015","6.8617","0.0007","11.3159","0.0016","90","","113.127","0.017","90","","687.91","0.18","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C7 H15 Ag2 Br3 N4 O0 -","- C7 H16 Ag2 Br3 N4 -","- C14 H32 Ag4 Br6 N8 -","2","0.5","","Xue, Zhen-Zhen; Wang, A-Ni; Wei, Qi; Wei, Li; Han, Song-De; Pan, Jie","Template syntheses of diverse haloargentates with reversible photochromism behaviors and efficient photocatalytic properties","CrystEngComm","2021","23","7","1588","1595","10.1039/D0CE01642J","","","0.71073","MoKα","","0.0693","0.0589","","","0.2069","0.2294","","","","","","1.036","","","","has coordinates","262591","2021-03-05","01:49:21",""
"7242024","21.718","0.0013","7.8066","0.0006","24.1817","0.0017","90","","90.887","0.006","90","","4099.4","0.5","150","0.02","150","0.02","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H36 N2 Na4 O10 -","- C50 H36 N2 Na4 O10 -","- C200 H144 N8 Na16 O40 -","4","1","","Coleman, Christopher N.; Tapping, Patrick C.; Huxley, Michael T.; Kee, Tak W.; Huang, David M.; Doonan, Christian J.; Sumby, Christopher J.","Structural modulation of the photophysical and electronic properties of pyrene-based 3D metal‒organic frameworks derived from s-block metals","CrystEngComm","2021","23","1","82","90","10.1039/D0CE01505A","","x-ray","0.71073","MoKα","","0.2167","0.1321","","","0.3476","0.3874","","","","","","1.119","","","","has coordinates","260852","2021-01-08","03:07:11",""
"7242025","17.329","0.004","36.085","0.007","15.194","0.003","90","","94.59","0.03","90","","9471","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C98.25 H83.25 K9 N3.25 O38.5 -","- C91 H51 K9 N O26.5 -","- C364 H204 K36 N4 O106 -","4","1","","Coleman, Christopher N.; Tapping, Patrick C.; Huxley, Michael T.; Kee, Tak W.; Huang, David M.; Doonan, Christian J.; Sumby, Christopher J.","Structural modulation of the photophysical and electronic properties of pyrene-based 3D metal‒organic frameworks derived from s-block metals","CrystEngComm","2021","23","1","82","90","10.1039/D0CE01505A","","","0.71073","Synchrotron","","0.0829","0.0722","","","0.2254","0.2364","","","","","","1.053","","","","has coordinates,has disorder","260852","2021-01-08","03:07:11",""
"7242026","22.8138","0.0011","7.9496","0.0004","26.091","0.0011","90","","96.564","0.004","90","","4700.9","0.4","150","0.14","150","0.14","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C50 H46.5 Na4 O16.25 -","- C50 H46 Na4 O16.25 -","- C200 H184 Na16 O65 -","4","1","","Coleman, Christopher N.; Tapping, Patrick C.; Huxley, Michael T.; Kee, Tak W.; Huang, David M.; Doonan, Christian J.; Sumby, Christopher J.","Structural modulation of the photophysical and electronic properties of pyrene-based 3D metal‒organic frameworks derived from s-block metals","CrystEngComm","2021","23","1","82","90","10.1039/D0CE01505A","","x-ray","0.71073","MoKα","","0.1475","0.0698","","","0.1399","0.169","","","","","","1.029","","","","has coordinates,has disorder","260852","2021-01-08","03:07:11",""
"7242027","13.1438","0.0007","17.2839","0.001","17.6953","0.0011","90","","104.028","0.006","90","","3900.1","0.4","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H20 N4 O4 -","- C36 H20 N4 O4 -","- C216 H120 N24 O24 -","6","1.5","","Rani, Pooja; Husain, Ahmad; Shukla, Ananya; Singla, Neha; Srivastava, Ankit Kumar; Kumar, Gulshan; Bhasin, K. K.; Kumar, Girijesh","Functionalized naphthalenediimide based supramolecular charge-transfer complexes via self-assembly and their photophysical properties","CrystEngComm","2021","23","8","1859","1869","10.1039/D0CE01719A","","x-ray","0.71073","MoKα","","0.199","0.0631","","","0.1304","0.1682","","","","","","0.866","","","","has coordinates","262556","2021-03-05","01:43:41",""
"7242028","7.7993","0.0003","22.8606","0.0008","33.5658","0.0011","90","","90","","90","","5984.7","0.4","138","","138","","","","","","","","","4","C c c m","-C 2 2c","66","","","","- C50 H26 N8 O21 -","- C50 H26 N8 O21 -","- C200 H104 N32 O84 -","4","0.25","","Rani, Pooja; Husain, Ahmad; Shukla, Ananya; Singla, Neha; Srivastava, Ankit Kumar; Kumar, Gulshan; Bhasin, K. K.; Kumar, Girijesh","Functionalized naphthalenediimide based supramolecular charge-transfer complexes via self-assembly and their photophysical properties","CrystEngComm","2021","23","8","1859","1869","10.1039/D0CE01719A","","x-ray","0.71073","MoKα","","0.1621","0.1258","","","0.3764","0.3999","","","","","","1.493","","","","has coordinates,has disorder","262556","2021-03-05","01:43:42",""
"7242029","16.6037","0.0003","10.0174","0.0002","32.0776","0.0005","90","","100.676","0.002","90","","5242.98","0.17","138","","138","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C52 H40 N10 O21 S2 -","- C52 H40 N10 O21 S2 -","- C208 H160 N40 O84 S8 -","4","0.5","","Rani, Pooja; Husain, Ahmad; Shukla, Ananya; Singla, Neha; Srivastava, Ankit Kumar; Kumar, Gulshan; Bhasin, K. K.; Kumar, Girijesh","Functionalized naphthalenediimide based supramolecular charge-transfer complexes via self-assembly and their photophysical properties","CrystEngComm","2021","23","8","1859","1869","10.1039/D0CE01719A","","x-ray","0.71073","MoKα","","0.0535","0.0429","","","0.1136","0.1202","","","","","","1.109","","","","has coordinates","262556","2021-03-05","01:43:42",""
"7242030","9.0784","0.0003","13.877","0.0004","16.6645","0.0004","90","","105.807","0.001","90","","2020.02","0.1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Cl2 Co2 N6 O -","- C18 H16 Cl2 Co2 N6 O -","- C72 H64 Cl8 Co8 N24 O4 -","4","1","","Wu, Wen-Hao; Wang, Ya-Qun; Mi, Hong-Li; Xue, Qing-Xuan; Shao, Feng; Shen, Fei; Yang, Feng-Lei","Magnetic relaxation in a Co(ii) chain complex: synthesis, structure, and DFT computational coupling constant","CrystEngComm","2021","23","6","1398","1405","10.1039/D0CE01662D","","","0.71073","MoKα","","0.0493","0.0328","","","0.0878","0.0927","","","","","","1.048","","","","has coordinates","262582","2021-03-05","01:47:52",""
"7242031","6.7479","0.0003","13.9428","0.0007","22.927","0.0009","90","","90","","90","","2157.08","0.17","294","2","294","2","","","","","","","slow evaporation of acetonitrile solution of 2; see text","4","P 21 21 21","P 2ac 2ab","19","UCS1025B acetonitrile solvate","(2aR,7R,7aS,7bR)-7-{[(4aS,5S,6S,8aR)-1,2,3,4,4a,5,6,8a-Octahydro- 6-methylnaphthalene-5-yl]-oxomethyl}-2,2a,3,4,6,7,7a,7b-octahydro- 7,7b-dihydroxy-furo[2,3,4-gh]pyrrolizine-2,6-dione acetonitrile solvate","","- C22 H28 N2 O6 -","- C22 H28 N2 O6 -","- C88 H112 N8 O24 -","4","1","","Basak, Tanmoy; Frontera, Antonio; Chattopadhyay, Shouvik","Insight into non-covalent interactions in two triamine-based mononuclear iron(iii) Schiff base complexes with special emphasis on the formation of Br⋯π halogen bonding","CrystEngComm","2021","23","7","1578","1587","10.1039/D0CE01534B","","","1.54184","CuKα","","0.0526","0.0498","","0.1448","0.1411","","","","1.075","1.089","1.089","","","","","has coordinates","262584","2021-03-05","01:48:16",""
"7242032","8.1266","0.0018","6.78","0.0006","17.9128","0.0015","90","","97.228","0.009","90","","979.1","0.2","298","2","298","2","","","","","","","slow evaporation of DMF solution of 5; see text","5","P 1 21 1","P 2yb","4","","(2aR,7S,7aS,7bR)-7-bromo-7-{[(4aS,5S,6S,8aR)-1,2,3,4,4a,5,6,8a-Octahydro- 6-methylnaphthalene-5-yl]-oxomethyl}-2,2a,3,4,6,7,7a,7b-octahydro- 7b-hydroxy-furo[2,3,4-gh]pyrrolizine-2,6-dione","","- C20 H24 Br N O5 -","- C20 H24 Br N O5 -","- C40 H48 Br2 N2 O10 -","2","1","","Basak, Tanmoy; Frontera, Antonio; Chattopadhyay, Shouvik","Insight into non-covalent interactions in two triamine-based mononuclear iron(iii) Schiff base complexes with special emphasis on the formation of Br⋯π halogen bonding","CrystEngComm","2021","23","7","1578","1587","10.1039/D0CE01534B","","","1.54184","CuKα","","0.0621","0.044","","0.1108","0.095","","","","1.056","1.016","1.016","","","","","has coordinates","262584","2021-03-05","01:48:17",""
"7242033","12.519","0.003","13.668","0.003","16.827","0.003","99.56","0.03","108.37","0.03","95.92","0.03","2657.1","1.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C112 H108 Ag2 Cl2 N6 O34 -","- C112 H108 Ag2 Cl2 N6 O34 -","- C112 H108 Ag2 Cl2 N6 O34 -","1","0.5","","Lee, Soojin; Kim, Dongwon; Park, In-Hyeok; Jung, Ok-Sang","Unusual porous crystals via catenation of 1D ladders: unprecedented mixture effects on the adsorption of xylene isomers in a SCSC mode","CrystEngComm","2021","23","1","40","46","10.1039/D0CE01458C","","","0.7","synchrotron","","0.0818","0.0724","","","0.206","0.2117","","","","","","1.07","","","","has coordinates,has disorder","260856","2021-01-08","03:13:01",""
"7242034","12.716","0.003","13.798","0.003","16.84","0.003","97.8","0.03","110.15","0.03","98.57","0.03","2686.6","1.2","220","2","220","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H54 Ag Cl N3 O13 -","- C60 H54 Ag Cl N3 O13 -","- C120 H108 Ag2 Cl2 N6 O26 -","2","1","","Lee, Soojin; Kim, Dongwon; Park, In-Hyeok; Jung, Ok-Sang","Unusual porous crystals via catenation of 1D ladders: unprecedented mixture effects on the adsorption of xylene isomers in a SCSC mode","CrystEngComm","2021","23","1","40","46","10.1039/D0CE01458C","","","0.8","synchrotron","","0.0848","0.0765","","","0.2184","0.2271","","","","","","1.018","","","","has coordinates,has disorder","260856","2021-01-08","03:13:01",""
"7242038","7.7112","0.0003","12.8858","0.0006","19.6573","0.0008","90","","91.982","0.002","90","","1952.08","0.14","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 Ag F6 N4 Sb -","- C18 H14 Ag F6 N4 Sb -","- C72 H56 Ag4 F24 N16 Sb4 -","4","1","","Venter, Chané; Akerman, Matthew P.","Pre-organisation of ligand donor sets modulates the supramolecular structure of bis(pyridyl‒imine) silver(i) chelates","CrystEngComm","2021","23","5","1294","1304","10.1039/D0CE01610A","","","0.71073","MoKα","","0.0284","0.0239","","","0.0532","0.0553","","","","","","1.034","","","","has coordinates","262561","2021-03-05","01:44:18",""
"7242039","13.6966","0.0013","13.1588","0.0012","26.895","0.003","90","","96.078","0.004","90","","4820.1","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Ag F6 N4 Sb -","- C18 H14 Ag F6 N4 Sb -","- C144 H112 Ag8 F48 N32 Sb8 -","8","2","","Venter, Chané; Akerman, Matthew P.","Pre-organisation of ligand donor sets modulates the supramolecular structure of bis(pyridyl‒imine) silver(i) chelates","CrystEngComm","2021","23","5","1294","1304","10.1039/D0CE01610A","","","0.71073","MoKα","","0.1064","0.0909","","","0.1788","0.1851","","","","","","1.135","","","","has coordinates","262561","2021-03-05","01:44:18",""
"7242040","16.2711","0.001","15.9716","0.0011","15.6817","0.0011","90","","102.447","0.003","90","","3979.5","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H28 Ag2 F12 N8 Sb2 -","- C36 H28 Ag2 F12 N8 Sb2 -","- C144 H112 Ag8 F48 N32 Sb8 -","4","0.5","","Venter, Chané; Akerman, Matthew P.","Pre-organisation of ligand donor sets modulates the supramolecular structure of bis(pyridyl‒imine) silver(i) chelates","CrystEngComm","2021","23","5","1294","1304","10.1039/D0CE01610A","","","0.71073","MoKα","","0.0245","0.0223","","","0.0479","0.0492","","","","","","1.051","","","","has coordinates","262561","2021-03-05","01:44:18",""
"7242041","16.2241","0.0015","9.242","0.0009","23.889","0.002","90","","107.447","0.002","90","","3417.2","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H34 Ag B N4 -","- C42 H34 Ag B N4 -","- C168 H136 Ag4 B4 N16 -","4","1","","Venter, Chané; Akerman, Matthew P.","Pre-organisation of ligand donor sets modulates the supramolecular structure of bis(pyridyl‒imine) silver(i) chelates","CrystEngComm","2021","23","5","1294","1304","10.1039/D0CE01610A","","","0.71073","MoKα","","0.0396","0.0289","","","0.0656","0.0695","","","","","","1.046","","","","has coordinates","262561","2021-03-05","01:44:18",""
"7242042","9.5737","0.0005","11.8435","0.0005","15.8044","0.0009","75.085","0.004","75.49","0.004","84.345","0.004","1675.28","0.15","295","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H36 N6 O7.5 Zn -","- C37 H32 N6 O4 Zn -","- C74 H64 N12 O8 Zn2 -","2","1","","Shi, Yong-Sheng; Yu, Qiang; Zhang, Jian-Wei; Cui, Guang-Hua","Four dual-functional luminescent Zn(ii)-MOFs based on 1,2,4,5-benzenetetracarboxylic acid with pyridylbenzimidazole ligands for detection of iron(iii) ions and acetylacetone","CrystEngComm","2021","23","7","1604","1615","10.1039/D0CE01619E","","","0.71073","MoKα","","0.1282","0.1071","","","0.2672","0.2773","","","","","","1.087","","","","has coordinates","262593","2021-03-05","01:49:34",""
"7242043","10.8405","0.0003","11.9854","0.0004","15.6874","0.0005","68.832","0.003","82.546","0.002","75.177","0.002","1835.87","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H36 N6 O10 Zn2 -","- C41 H36 N6 O10 Zn2 -","- C82 H72 N12 O20 Zn4 -","2","1","","Shi, Yong-Sheng; Yu, Qiang; Zhang, Jian-Wei; Cui, Guang-Hua","Four dual-functional luminescent Zn(ii)-MOFs based on 1,2,4,5-benzenetetracarboxylic acid with pyridylbenzimidazole ligands for detection of iron(iii) ions and acetylacetone","CrystEngComm","2021","23","7","1604","1615","10.1039/D0CE01619E","","","0.71073","MoKα","","0.064","0.041","","","0.0833","0.09","","","","","","1.021","","","","has coordinates","262593","2021-03-05","01:49:35",""
"7242044","8.478","0.0002","11.9324","0.0003","13.6431","0.0003","105.021","0.002","101.269","0.002","105.692","0.003","1229.9","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H18 N3 O9 Zn2 -","- C27 H18 N3 O9 Zn2 -","- C54 H36 N6 O18 Zn4 -","2","1","","Shi, Yong-Sheng; Yu, Qiang; Zhang, Jian-Wei; Cui, Guang-Hua","Four dual-functional luminescent Zn(ii)-MOFs based on 1,2,4,5-benzenetetracarboxylic acid with pyridylbenzimidazole ligands for detection of iron(iii) ions and acetylacetone","CrystEngComm","2021","23","7","1604","1615","10.1039/D0CE01619E","","","0.71073","MoKα","","0.0762","0.0485","","","0.1301","0.1428","","","","","","1.077","","","","has coordinates","262593","2021-03-05","01:49:35",""
"7242045","8.8439","0.0001","10.2104","0.0002","10.7211","0.0002","99.388","0.002","96.184","0.001","101.935","0.001","924.41","0.03","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H17.5 N3 O5.5 Zn -","- C20 H16.5 N3 O5.5 Zn -","- C40 H33 N6 O11 Zn2 -","2","1","","Shi, Yong-Sheng; Yu, Qiang; Zhang, Jian-Wei; Cui, Guang-Hua","Four dual-functional luminescent Zn(ii)-MOFs based on 1,2,4,5-benzenetetracarboxylic acid with pyridylbenzimidazole ligands for detection of iron(iii) ions and acetylacetone","CrystEngComm","2021","23","7","1604","1615","10.1039/D0CE01619E","","","0.71073","MoKα","","0.0456","0.0331","","","0.0844","0.0887","","","","","","1.086","","","","has coordinates","262593","2021-03-05","01:49:35",""
"7242046","15.1093","0.0007","17.6849","0.0007","8.2597","0.0003","90","","100.468","0.003","90","","2170.31","0.16","173","2","173","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C34 H52 Ag2 N6 O6 Si4 -","- C34 H52 Ag2 N6 O6 Si4 -","- C68 H104 Ag4 N12 O12 Si8 -","2","0.25","","Moon, Heehun; Lim, Sang Woo; Kim, Dongwon; Jung, Ok-Sang; Lee, Young-A","Supramolecular isomerism between cyclodimeric and sinusoidal 1D coordination polymers: competition of tunable argentophilic vs. electrostatic interactions","CrystEngComm","2021","23","5","1272","1280","10.1039/D0CE01779E","","","0.71073","MoKα","","0.0263","0.0237","","","0.0601","0.0623","","","","","","1.14","","","","has coordinates","262562","2021-03-05","01:44:28",""
"7242047","10.536","0.002","10.805","0.002","17.843","0.004","84.11","0.03","73.3","0.03","73.1","0.03","1861.2","0.8","253","2","253","2","","","","","","","","8","P -1","-P 1","2","","","","- C54 H92 Ag2 F12 N4 O10 P2 Si4 -","- C54 H92 Ag2 F12 N4 O10 P2 Si4 -","- C54 H92 Ag2 F12 N4 O10 P2 Si4 -","1","0.5","","Moon, Heehun; Lim, Sang Woo; Kim, Dongwon; Jung, Ok-Sang; Lee, Young-A","Supramolecular isomerism between cyclodimeric and sinusoidal 1D coordination polymers: competition of tunable argentophilic vs. electrostatic interactions","CrystEngComm","2021","23","5","1272","1280","10.1039/D0CE01779E","","","0.63","synchrotron","","0.068","0.0517","","","0.1697","0.1826","","","","","","1.088","","","","has coordinates,has disorder","262562","2021-03-05","01:44:28",""
"7242048","13.1079","0.0003","12.2055","0.0004","14.7073","0.0004","90","","106.888","0.002","90","","2251.52","0.11","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H26 Ag B F4 N2 Si2 -","- C17 H26 Ag B F4 N2 Si2 -","- C68 H104 Ag4 B4 F16 N8 Si8 -","4","1","","Moon, Heehun; Lim, Sang Woo; Kim, Dongwon; Jung, Ok-Sang; Lee, Young-A","Supramolecular isomerism between cyclodimeric and sinusoidal 1D coordination polymers: competition of tunable argentophilic vs. electrostatic interactions","CrystEngComm","2021","23","5","1272","1280","10.1039/D0CE01779E","","","0.71073","MoKα","","0.0908","0.0596","","","0.1513","0.1756","","","","","","1.022","","","","has coordinates","262562","2021-03-05","01:44:28",""
"7242049","9.3612","0.0004","16.6277","0.0008","14.6315","0.0007","90","","99.453","0.001","90","","2246.54","0.18","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H52 Ag2 B2 F8 N4 Si4 -","- C34 H52 Ag2 B2 F8 N4 Si4 -","- C68 H104 Ag4 B4 F16 N8 Si8 -","2","0.5","","Moon, Heehun; Lim, Sang Woo; Kim, Dongwon; Jung, Ok-Sang; Lee, Young-A","Supramolecular isomerism between cyclodimeric and sinusoidal 1D coordination polymers: competition of tunable argentophilic vs. electrostatic interactions","CrystEngComm","2021","23","5","1272","1280","10.1039/D0CE01779E","","","0.71073","MoKα","","0.0492","0.0408","","","0.1084","0.1173","","","","","","1.053","","","","has coordinates","262562","2021-03-05","01:44:28",""
"7242050","13.055","0.003","12.393","0.003","14.789","0.003","90","","106.13","0.03","90","","2298.5","1","253","2","253","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H26 Ag Cl N2 O4 Si2 -","- C17 H26 Ag Cl N2 O4 Si2 -","- C68 H104 Ag4 Cl4 N8 O16 Si8 -","4","1","","Moon, Heehun; Lim, Sang Woo; Kim, Dongwon; Jung, Ok-Sang; Lee, Young-A","Supramolecular isomerism between cyclodimeric and sinusoidal 1D coordination polymers: competition of tunable argentophilic vs. electrostatic interactions","CrystEngComm","2021","23","5","1272","1280","10.1039/D0CE01779E","","","0.65","synchrotron","","0.0634","0.0525","","","0.1785","0.1881","","","","","","1.055","","","","has coordinates,has disorder","262562","2021-03-05","01:44:28",""
"7242051","9.478","0.0002","16.6234","0.0004","14.6344","0.0004","90","","98.938","0.001","90","","2277.75","0.1","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H52 Ag2 Cl2 N4 O8 Si4 -","- C34 H52 Ag2 Cl2 N4 O8 Si4 -","- C68 H104 Ag4 Cl4 N8 O16 Si8 -","2","0.5","","Moon, Heehun; Lim, Sang Woo; Kim, Dongwon; Jung, Ok-Sang; Lee, Young-A","Supramolecular isomerism between cyclodimeric and sinusoidal 1D coordination polymers: competition of tunable argentophilic vs. electrostatic interactions","CrystEngComm","2021","23","5","1272","1280","10.1039/D0CE01779E","","","0.71073","MoKα","","0.0373","0.0288","","","0.065","0.0704","","","","","","1.08","","","","has coordinates,has disorder","262562","2021-03-05","01:44:28",""
"7242052","12.6","0.0005","13.2029","0.0006","14.6341","0.0006","90","","101.204","0.002","90","","2388.08","0.17","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H26 Ag F6 N2 P Si2 -","- C17 H26 Ag F6 N2 P Si2 -","- C68 H104 Ag4 F24 N8 P4 Si8 -","4","1","","Moon, Heehun; Lim, Sang Woo; Kim, Dongwon; Jung, Ok-Sang; Lee, Young-A","Supramolecular isomerism between cyclodimeric and sinusoidal 1D coordination polymers: competition of tunable argentophilic vs. electrostatic interactions","CrystEngComm","2021","23","5","1272","1280","10.1039/D0CE01779E","","","0.71073","MoKα","","0.0627","0.0427","","","0.1018","0.1143","","","","","","1.034","","","","has coordinates","262562","2021-03-05","01:44:28",""
"7242053","15.1069","0.0018","10.2825","0.0011","20.87","0.002","90","","90","","90","","3241.9","0.6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H16 Cu N3 O8 S -","- C14 H16 Cu N3 O8 S -","- C112 H128 Cu8 N24 O64 S8 -","8","1","","Zhu, Jin-Long; Zhu, Peizhi; Chen, Hai-Tao; Yan, Min; Zhang, Kou-Lin","Distinct solvent-dependent luminescence sensing property of a newly constructed Cu(ii)‒organic framework","CrystEngComm","2021","23","9","1929","1941","10.1039/D0CE01724H","","","0.71073","MoKα","","0.0477","0.0356","","","0.0893","0.0943","","","","","","1.036","","","","has coordinates","263725","2021-04-05","14:34:36",""
"7242081","15.679","0.009","11.03","0.006","18.158","0.011","90","","102.581","0.017","90","","3065","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H27 N5 O7 Zn -","- C34 H27 N5 O7 Zn -","- C136 H108 N20 O28 Zn4 -","4","1","","Xue, Yun-Shan; Zhang, Chen; Lv, Jun Qing; Chen, Ning-Ning; Wang, Jun; Chen, Xuan-Rong; Fan, Liming","Luminescence sensing and photocatalytic activities of four Zn(ii)/Co(ii) coordination polymers based on a pyridinephenyl bifunctional ligand","CrystEngComm","2021","23","6","1497","1506","10.1039/D0CE01812K","","","0.71073","MoKα","","0.0872","0.0519","","","0.1007","0.1103","","","","","","0.999","","","","has coordinates","262581","2021-03-05","01:47:47",""
"7242082","16.564","0.007","17.185","0.007","10.62","0.005","90","","92.819","0.016","90","","3019","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H27 Co N5 O7 -","- C34 H27 Co N5 O7 -","- C136 H108 Co4 N20 O28 -","4","1","","Xue, Yun-Shan; Zhang, Chen; Lv, Jun Qing; Chen, Ning-Ning; Wang, Jun; Chen, Xuan-Rong; Fan, Liming","Luminescence sensing and photocatalytic activities of four Zn(ii)/Co(ii) coordination polymers based on a pyridinephenyl bifunctional ligand","CrystEngComm","2021","23","6","1497","1506","10.1039/D0CE01812K","","","0.71073","MoKα","","0.0514","0.0458","","","0.1269","0.1302","","","","","","0.977","","","","has coordinates","262581","2021-03-05","01:47:47",""
"7242083","13.8693","0.001","50.702","0.004","8.3094","0.0006","90","","90","","90","","5843.2","0.8","302","2","302","2","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C64 H44 N10 O13 Zn2 -","- C64 H44 N10 O13 Zn2 -","- C256 H176 N40 O52 Zn8 -","4","1","","Xue, Yun-Shan; Zhang, Chen; Lv, Jun Qing; Chen, Ning-Ning; Wang, Jun; Chen, Xuan-Rong; Fan, Liming","Luminescence sensing and photocatalytic activities of four Zn(ii)/Co(ii) coordination polymers based on a pyridinephenyl bifunctional ligand","CrystEngComm","2021","23","6","1497","1506","10.1039/D0CE01812K","","","0.71073","MoKα","","0.1098","0.0757","","","0.1513","0.1592","","","","","","1.269","","","","has coordinates","262581","2021-03-05","01:47:47",""
"7242084","24.357","0.002","16.6019","0.0016","18.5781","0.0019","90","","90","","90","","7512.5","1.2","273","2","273","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C82 H60 Co3 N14 O15 -","- C82 H60 Co3 N14 O15 -","- C328 H240 Co12 N56 O60 -","4","0.5","","Xue, Yun-Shan; Zhang, Chen; Lv, Jun Qing; Chen, Ning-Ning; Wang, Jun; Chen, Xuan-Rong; Fan, Liming","Luminescence sensing and photocatalytic activities of four Zn(ii)/Co(ii) coordination polymers based on a pyridinephenyl bifunctional ligand","CrystEngComm","2021","23","6","1497","1506","10.1039/D0CE01812K","","","0.71073","MoKα","","0.0693","0.0515","","","0.1261","0.1343","","","","","","0.983","","","","has coordinates","262581","2021-03-05","01:47:47",""
"7242085","23.5717","0.001","7.6109","0.0003","16.3266","0.0008","90","","124.849","0.002","90","","2403.73","0.19","295","2","295","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 Co N14 O4 -","- C20 H16 Co N14 O4 -","- C80 H64 Co4 N56 O16 -","4","0.5","","Yu, Huaguang; Sun, Jing","Synthesis, structure, and fluorescence properties of coordination polymers of 3,5-bis(1′,2′,4′-triazol-1′-yl) pyridine","CrystEngComm","2021","23","8","1744","1755","10.1039/D0CE01649G","","","0.71073","MoKα","","0.0417","0.0366","","","0.0908","0.0935","","","","","","1.035","","","","has coordinates","262558","2021-03-05","01:43:55",""
"7242086","20.4571","0.0013","16.4629","0.0013","10.3821","0.0007","90","","99.791","0.003","90","","3445.6","0.4","295","2","295","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H25 Cd3 N7 O18 -","- C27 H25 Cd3 N7 O18 -","- C108 H100 Cd12 N28 O72 -","4","0.5","","Yu, Huaguang; Sun, Jing","Synthesis, structure, and fluorescence properties of coordination polymers of 3,5-bis(1′,2′,4′-triazol-1′-yl) pyridine","CrystEngComm","2021","23","8","1744","1755","10.1039/D0CE01649G","","","0.71073","MoKα","","0.0311","0.0228","","","0.0542","0.057","","","","","","1.036","","","","has coordinates","262558","2021-03-05","01:43:55",""
"7242087","9.7397","0.0005","13.5689","0.0006","12.187","0.0006","90","","113.423","0.0013","90","","1477.88","0.12","295","2","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H7 Cd N7 O4 -","- C11 H7 Cd N7 O4 -","- C44 H28 Cd4 N28 O16 -","4","1","","Yu, Huaguang; Sun, Jing","Synthesis, structure, and fluorescence properties of coordination polymers of 3,5-bis(1′,2′,4′-triazol-1′-yl) pyridine","CrystEngComm","2021","23","8","1744","1755","10.1039/D0CE01649G","","","0.71073","MoKα","","0.027","0.0215","","","0.0486","0.0505","","","","","","1.033","","","","has coordinates","262558","2021-03-05","01:43:55",""
"7242088","10.1603","0.0005","11.7436","0.0005","13.3228","0.0006","81.308","0.001","73.137","0.001","88.206","0.001","1503.7","0.12","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H38 N28 O14 Zn3 -","- C54 H38 N28 O14 Zn3 -","- C54 H38 N28 O14 Zn3 -","1","0.5","","Yu, Huaguang; Sun, Jing","Synthesis, structure, and fluorescence properties of coordination polymers of 3,5-bis(1′,2′,4′-triazol-1′-yl) pyridine","CrystEngComm","2021","23","8","1744","1755","10.1039/D0CE01649G","","","0.71073","MoKα","","0.0617","0.0397","","","0.0986","0.106","","","","","","1.04","","","","has coordinates,has disorder","262558","2021-03-05","01:43:55",""
"7242089","14.0276","0.0008","7.865","0.0004","14.9871","0.0008","90","","115.475","0.002","90","","1492.72","0.14","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Vanillin","","- C8 H8 O3 -","- C8 H8 O3 -","- C64 H64 O24 -","8","4","","Sundareswaran, Supriya; Karuppannan, Srinivasan","Nucleation control and separation of vanillin polymorphs I and II through the swift cooling crystallization process","CrystEngComm","2021","23","7","1634","1642","10.1039/D0CE01557A","","","0.71073","MoKα","","0.0633","0.0457","","","0.1072","0.1137","","","","","","1.105","","","","has coordinates","262587","2021-03-05","01:48:48",""
"7242090","16.4359","0.0013","3.8887","0.0003","45.843","0.004","90","","90","","90","","2930","0.4","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","","Vanillin","","- C8 H8 O3 -","- C8 H8 O3 -","- C128 H128 O48 -","16","4","","Sundareswaran, Supriya; Karuppannan, Srinivasan","Nucleation control and separation of vanillin polymorphs I and II through the swift cooling crystallization process","CrystEngComm","2021","23","7","1634","1642","10.1039/D0CE01557A","","","0.71073","MoKα","","0.1558","0.0597","","","0.0845","0.104","","","","","","1.014","","","","has coordinates","262587","2021-03-05","01:48:48",""
"7242091","6.989","0.0014","8.308","0.0017","16.476","0.003","83.84","0.03","78.78","0.03","79.1","0.03","919","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H31 Br N2 -","- C16 H31 Br N2 -","- C32 H62 Br2 N4 -","2","1","","Renier, Olivier; Bousrez, Guillaume; Yang, Mei; Hölter, Milena; Mallick, Bert; Smetana, Volodymyr; Mudring, Anja-Verena","Developing design tools for introducing and tuning structural order in ionic liquids","CrystEngComm","2021","23","8","1785","1795","10.1039/D0CE01672A","","","0.71073","MoKα","","0.0906","0.0627","","","0.1562","0.1726","","","","","","1.007","","","","has coordinates","262553","2021-03-05","01:42:55",""
"7242092","7.595","0.007","9.979","0.01","20.822","0.019","85.1","0.03","83.7","0.04","84.22","0.03","1556","3","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H57 Br N2 O -","- C28 H57 Br N2 O -","- C56 H114 Br2 N4 O2 -","2","1","","Renier, Olivier; Bousrez, Guillaume; Yang, Mei; Hölter, Milena; Mallick, Bert; Smetana, Volodymyr; Mudring, Anja-Verena","Developing design tools for introducing and tuning structural order in ionic liquids","CrystEngComm","2021","23","8","1785","1795","10.1039/D0CE01672A","","","1.54178","CuKα","","0.082","0.0611","","","0.1243","0.1319","","","","","","1.168","","","","has coordinates","262553","2021-03-05","01:42:58",""
"7242093","22.453","0.0013","8.5697","0.0005","10.2184","0.0007","90","","91.87","0.002","90","","1965.1","0.2","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H33 Br N2 -","- C17 H33 Br N2 -","- C68 H132 Br4 N8 -","4","1","","Renier, Olivier; Bousrez, Guillaume; Yang, Mei; Hölter, Milena; Mallick, Bert; Smetana, Volodymyr; Mudring, Anja-Verena","Developing design tools for introducing and tuning structural order in ionic liquids","CrystEngComm","2021","23","8","1785","1795","10.1039/D0CE01672A","","","0.71073","MoKα","","0.1164","0.0517","","","0.1123","0.1357","","","","","","1.02","","","","has coordinates","262553","2021-03-05","01:43:00",""
"7242094","11.389","0.005","25.046","0.005","10.134","0.005","90","0.005","106.839","0.005","90","0.005","2766.8","1.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H48 N10 Ni O12 -","- C62 H48 N10 Ni O12 -","- C124 H96 N20 Ni2 O24 -","2","0.5","","Liu, Guocheng; Zhao, Jing; Liang, Shuang; Li, Yan; Chang, Zhihan; Wang, Xiuli; Chen, Baokuan","Ten polytorsional-amide-induced helical-based coordination polymers with difunctional electrochemical activities","CrystEngComm","2021","23","5","1263","1271","10.1039/D0CE01754J","","","0.71069","MoKα","","0.1249","0.0627","","","0.1582","0.1936","","","","","","1.019","","","","has coordinates","262568","2021-03-05","01:45:29",""
"7242095","27.1381","0.0015","9.546","0.0005","26.1291","0.0014","90","","119.788","0.002","90","","5874.6","0.6","296","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H60 N8 Ni2 O13 -","- C62 H60 N8 Ni2 O13 -","- C248 H240 N32 Ni8 O52 -","4","0.5","","Liu, Guocheng; Zhao, Jing; Liang, Shuang; Li, Yan; Chang, Zhihan; Wang, Xiuli; Chen, Baokuan","Ten polytorsional-amide-induced helical-based coordination polymers with difunctional electrochemical activities","CrystEngComm","2021","23","5","1263","1271","10.1039/D0CE01754J","","","0.71073","MoKα","","0.0659","0.0397","","","0.0985","0.1107","","","","","","1.015","","","","has coordinates","262568","2021-03-05","01:45:30",""
"7242096","10.8482","0.0004","11.7284","0.0005","25.7782","0.0009","90","","100.649","0.001","90","","3223.3","0.2","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H32 N4 Ni O10 -","- C32 H32 N4 Ni O10 -","- C128 H128 N16 Ni4 O40 -","4","1","","Liu, Guocheng; Zhao, Jing; Liang, Shuang; Li, Yan; Chang, Zhihan; Wang, Xiuli; Chen, Baokuan","Ten polytorsional-amide-induced helical-based coordination polymers with difunctional electrochemical activities","CrystEngComm","2021","23","5","1263","1271","10.1039/D0CE01754J","","","0.71073","MoKα","","0.0494","0.0351","","","0.0912","0.0986","","","","","","1.025","","","","has coordinates","262568","2021-03-05","01:45:30",""
"7242097","24.0029","0.0019","8.5417","0.0007","17.688","0.0013","90","","92.236","0.003","90","","3623.7","0.5","296","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H28 N6 Ni O12 -","- C38 H28 N6 Ni O12 -","- C152 H112 N24 Ni4 O48 -","4","0.5","","Liu, Guocheng; Zhao, Jing; Liang, Shuang; Li, Yan; Chang, Zhihan; Wang, Xiuli; Chen, Baokuan","Ten polytorsional-amide-induced helical-based coordination polymers with difunctional electrochemical activities","CrystEngComm","2021","23","5","1263","1271","10.1039/D0CE01754J","","","0.71073","MoKα","","0.1581","0.0862","","","0.2382","0.2893","","","","","","1.053","","","","has coordinates","262568","2021-03-05","01:45:30",""
"7242098","27.98","0.004","9.5268","0.0011","26.15","0.003","90","","121.298","0.005","90","","5956.2","1.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H56 N8 Ni2 O13 -","- C68 H56 N8 Ni2 O13 -","- C272 H224 N32 Ni8 O52 -","4","0.5","","Liu, Guocheng; Zhao, Jing; Liang, Shuang; Li, Yan; Chang, Zhihan; Wang, Xiuli; Chen, Baokuan","Ten polytorsional-amide-induced helical-based coordination polymers with difunctional electrochemical activities","CrystEngComm","2021","23","5","1263","1271","10.1039/D0CE01754J","","","0.71073","MoKα","","0.0794","0.0433","","","0.0978","0.1129","","","","","","1.004","","","","has coordinates","262568","2021-03-05","01:45:30",""
"7242099","12.5279","0.0007","11.1904","0.0006","20.7164","0.0012","90","","97.053","0.001","90","","2882.3","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 Cu N4 O10 -","- C27 H28 Cu N4 O10 -","- C108 H112 Cu4 N16 O40 -","4","1","","Liu, Guocheng; Zhao, Jing; Liang, Shuang; Li, Yan; Chang, Zhihan; Wang, Xiuli; Chen, Baokuan","Ten polytorsional-amide-induced helical-based coordination polymers with difunctional electrochemical activities","CrystEngComm","2021","23","5","1263","1271","10.1039/D0CE01754J","","","0.71073","MoKα","","0.1448","0.0598","","","0.1369","0.1762","","","","","","0.953","","","","has coordinates","262568","2021-03-05","01:45:30",""
"7242100","11.2388","0.0008","11.4778","0.0008","12.7315","0.001","93.977","0.002","105.839","0.002","95.628","0.002","1564.4","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H36 Cu N4 O7 -","- C33 H36 Cu N4 O7 -","- C66 H72 Cu2 N8 O14 -","2","1","","Liu, Guocheng; Zhao, Jing; Liang, Shuang; Li, Yan; Chang, Zhihan; Wang, Xiuli; Chen, Baokuan","Ten polytorsional-amide-induced helical-based coordination polymers with difunctional electrochemical activities","CrystEngComm","2021","23","5","1263","1271","10.1039/D0CE01754J","","","0.71073","MoKα","","0.0984","0.0547","","","0.123","0.1379","","","","","","0.99","","","","has coordinates","262568","2021-03-05","01:45:30",""
"7242101","9.0605","0.0006","14.3095","0.0009","15.1659","0.001","90","","104.665","0.001","90","","1902.2","0.2","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H36 Cu N4 O9 -","- C40 H36 Cu N4 O9 -","- C80 H72 Cu2 N8 O18 -","2","1","","Liu, Guocheng; Zhao, Jing; Liang, Shuang; Li, Yan; Chang, Zhihan; Wang, Xiuli; Chen, Baokuan","Ten polytorsional-amide-induced helical-based coordination polymers with difunctional electrochemical activities","CrystEngComm","2021","23","5","1263","1271","10.1039/D0CE01754J","","","0.71073","MoKα","","0.1146","0.0612","","","0.1418","0.1682","","","","","","1.006","","","","has coordinates","262568","2021-03-05","01:45:30",""
"7242102","26.608","0.006","13.302","0.002","21.946","0.004","90","","111.863","0.007","90","","7209","2","296","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H28 Cu N6 O10 -","- C38 H28 Cu N6 O10 -","- C304 H224 Cu8 N48 O80 -","8","1","","Liu, Guocheng; Zhao, Jing; Liang, Shuang; Li, Yan; Chang, Zhihan; Wang, Xiuli; Chen, Baokuan","Ten polytorsional-amide-induced helical-based coordination polymers with difunctional electrochemical activities","CrystEngComm","2021","23","5","1263","1271","10.1039/D0CE01754J","","","0.71073","MoKα","","0.1486","0.0532","","","0.1125","0.1499","","","","","","0.926","","","","has coordinates","262568","2021-03-05","01:45:30",""
"7242103","23.655","0.004","8.6269","0.0013","17.55","0.003","90","","91.319","0.003","90","","3580.5","1","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H38 N4 Ni O8 -","- C40 H38 N4 Ni O8 -","- C160 H152 N16 Ni4 O32 -","4","0.5","","Liu, Guocheng; Zhao, Jing; Liang, Shuang; Li, Yan; Chang, Zhihan; Wang, Xiuli; Chen, Baokuan","Ten polytorsional-amide-induced helical-based coordination polymers with difunctional electrochemical activities","CrystEngComm","2021","23","5","1263","1271","10.1039/D0CE01754J","","","0.71073","MoKα","","0.083","0.0662","","","0.174","0.1865","","","","","","1.058","","","","has coordinates,has disorder","262568","2021-03-05","01:45:30",""
"7242112","18.5939","0.0008","7.6992","0.0003","14.9541","0.0007","90","","90","","90","","2140.8","0.16","296.15","","296.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H20 N4 Ni O5 -","- C22 H20 N4 Ni O5 -","- C88 H80 N16 Ni4 O20 -","4","1","","Zhang, Mei-Li; Bai, Ye; Ren, Yi-Xia; Wang, Ji-Jiang; Yang, Xiao-Gang; Ma, Lu-Fang","Structural diversity and photocatalytic activity of six Co(ii)/Ni(ii) complexes with three flexible phenylenediacetate isomers","CrystEngComm","2021","23","7","1616","1627","10.1039/D0CE01702G","","","0.71073","MoKα","","0.0254","0.0226","","","0.0525","0.0536","","","","","","1.03","","","","has coordinates","262585","2021-03-05","01:48:29",""
"7242113","5.5521","0.0017","10.63","0.003","10.978","0.003","66.111","0.004","87.833","0.005","80.289","0.005","583.6","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H26 Co N4 O8 -","- C22 H26 Co N4 O8 -","- C22 H26 Co N4 O8 -","1","0.5","","Zhang, Mei-Li; Bai, Ye; Ren, Yi-Xia; Wang, Ji-Jiang; Yang, Xiao-Gang; Ma, Lu-Fang","Structural diversity and photocatalytic activity of six Co(ii)/Ni(ii) complexes with three flexible phenylenediacetate isomers","CrystEngComm","2021","23","7","1616","1627","10.1039/D0CE01702G","","","0.71073","MoKα","","0.0438","0.0381","","","0.1226","0.1391","","","","","","1.209","","","","has coordinates","262585","2021-03-05","01:48:29",""
"7242114","11.0003","0.0006","12.7408","0.0007","15.3439","0.0008","103.41","0.001","108.677","0.001","95.755","0.001","1945.82","0.18","293.15","","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C78 H76 N16 Ni3 O18 -","- C78 H76 N16 Ni3 O18 -","- C78 H76 N16 Ni3 O18 -","1","0.5","","Zhang, Mei-Li; Bai, Ye; Ren, Yi-Xia; Wang, Ji-Jiang; Yang, Xiao-Gang; Ma, Lu-Fang","Structural diversity and photocatalytic activity of six Co(ii)/Ni(ii) complexes with three flexible phenylenediacetate isomers","CrystEngComm","2021","23","7","1616","1627","10.1039/D0CE01702G","","","0.71073","MoKα","","0.055","0.0492","","","0.1383","0.1408","","","","","","1.212","","","","has coordinates,has disorder","262585","2021-03-05","01:48:29",""
"7242115","12.4014","0.0007","13.6927","0.0007","12.6869","0.0006","90","","105.129","0.002","90","","2079.68","0.19","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 Co N4 O5 -","- C22 H20 Co N4 O5 -","- C88 H80 Co4 N16 O20 -","4","1","","Zhang, Mei-Li; Bai, Ye; Ren, Yi-Xia; Wang, Ji-Jiang; Yang, Xiao-Gang; Ma, Lu-Fang","Structural diversity and photocatalytic activity of six Co(ii)/Ni(ii) complexes with three flexible phenylenediacetate isomers","CrystEngComm","2021","23","7","1616","1627","10.1039/D0CE01702G","","","0.71073","MoKα","","0.0604","0.0504","","","0.1761","0.1835","","","","","","1.076","","","","has coordinates","262585","2021-03-05","01:48:29",""
"7242116","9.031","0.005","9.063","0.006","16.232","0.01","96.661","0.009","92.025","0.009","111.918","0.008","1219.7","1.3","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H23 Co N6 O4 -","- C28 H23 Co N6 O4 -","- C56 H46 Co2 N12 O8 -","2","1","","Zhang, Mei-Li; Bai, Ye; Ren, Yi-Xia; Wang, Ji-Jiang; Yang, Xiao-Gang; Ma, Lu-Fang","Structural diversity and photocatalytic activity of six Co(ii)/Ni(ii) complexes with three flexible phenylenediacetate isomers","CrystEngComm","2021","23","7","1616","1627","10.1039/D0CE01702G","","","0.71073","MoKα","","0.0472","0.0409","","","0.1113","0.1168","","","","","","1.037","","","","has coordinates","262585","2021-03-05","01:48:29",""
"7242117","15.3304","0.0016","17.4349","0.0018","15.9678","0.0018","90","","90","","90","","4267.9","0.8","296.15","","296.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22 H20 N4 Ni O5 -","- C22 H20 N4 Ni O5 -","- C176 H160 N32 Ni8 O40 -","8","1","","Zhang, Mei-Li; Bai, Ye; Ren, Yi-Xia; Wang, Ji-Jiang; Yang, Xiao-Gang; Ma, Lu-Fang","Structural diversity and photocatalytic activity of six Co(ii)/Ni(ii) complexes with three flexible phenylenediacetate isomers","CrystEngComm","2021","23","7","1616","1627","10.1039/D0CE01702G","","","0.71073","MoKα","","0.0837","0.0466","","","0.1066","0.1256","","","","","","1.06","","","","has coordinates","262585","2021-03-05","01:48:29",""
"7242124","13.0566","0.0003","13.1211","0.0003","15.1852","0.0003","92.7541","0.0018","96.9186","0.0018","94.0236","0.0018","2571.98","0.1","210.05","0.1","210.05","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C56 H80 O8 -","- C56 H80 O8 -","- C112 H160 O16 -","2","1","","Mirzaei, Saber; Lindeman, Sergey V.; Wang, Denan; Mirzaei, M. Saeed; Timerghazin, Qadir K.","Conformational switch in the crystal states of a calix[4]arene","CrystEngComm","2021","23","9","1906","1911","10.1039/D0CE01704C","","x-ray","1.54184","CuKα","","0.0666","0.0581","","","0.1717","0.1837","","","","","","1.044","","","","has coordinates,has disorder","263728","2021-04-05","14:35:00",""
"7242125","6.8417","0.0003","12.7268","0.0006","15.2879","0.0006","104.555","0.004","99.233","0.003","98.058","0.004","1248.84","0.1","100.05","0.1","100.05","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C56 H80 O8 -","- C56 H80 O8 -","- C56 H80 O8 -","1","0.5","","Mirzaei, Saber; Lindeman, Sergey V.; Wang, Denan; Mirzaei, M. Saeed; Timerghazin, Qadir K.","Conformational switch in the crystal states of a calix[4]arene","CrystEngComm","2021","23","9","1906","1911","10.1039/D0CE01704C","","x-ray","1.54184","CuKα","","0.0463","0.0363","","","0.0895","0.0973","","","","","","1.018","","","","has coordinates","263728","2021-04-05","14:35:00",""
"7242126","12.9716","0.0003","13.0379","0.0003","14.9706","0.0003","95.6026","0.0016","92.8626","0.0016","94.0129","0.0016","2509.48","0.1","99.8","0.4","99.8","0.4","","","","","","","","3","P -1","-P 1","2","","","","- C56 H80 O8 -","- C56 H80 O8 -","- C112 H160 O16 -","2","1","","Mirzaei, Saber; Lindeman, Sergey V.; Wang, Denan; Mirzaei, M. Saeed; Timerghazin, Qadir K.","Conformational switch in the crystal states of a calix[4]arene","CrystEngComm","2021","23","9","1906","1911","10.1039/D0CE01704C","","x-ray","1.54184","CuKα","","0.0411","0.0359","","","0.0935","0.0981","","","","","","1.037","","","","has coordinates","263728","2021-04-05","14:35:00",""
"7242127","12.6612","0.0004","14.1198","0.0003","15.7544","0.0004","104.714","0.002","96.728","0.002","99.499","0.002","2649.14","0.13","250","0.14","250","0.14","","","","","","","","3","P -1","-P 1","2","","","","- C56 H80 O8 -","- C56 H80 O8 -","- C112 H160 O16 -","2","1","","Mirzaei, Saber; Lindeman, Sergey V.; Wang, Denan; Mirzaei, M. Saeed; Timerghazin, Qadir K.","Conformational switch in the crystal states of a calix[4]arene","CrystEngComm","2021","23","9","1906","1911","10.1039/D0CE01704C","","x-ray","1.54184","CuKα","","0.0844","0.0748","","","0.246","0.2636","","","","","","1.065","","","","has coordinates,has disorder","263728","2021-04-05","14:35:00",""
"7242128","25.3668","0.0002","25.3668","0.0002","15.1922","0.0002","90","","90","","90","","9775.79","0.17","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C14 H8 Eu N O7 -","- C14 H8 Eu N O7 -","- C224 H128 Eu16 N16 O112 -","16","1","","Dong, Jian-Peng; Li, Bo; Jin, Yu-Jie; Wang, Li-Ya","Efficient detection of Fe(iii) and chromate ions in water using two robust lanthanide metal‒organic frameworks","CrystEngComm","2021","23","7","1677","1683","10.1039/D0CE01802C","","","1.54178","CuKα","","0.0503","0.0473","","","0.1809","0.1843","","","","","","1.086","","","","has coordinates","262589","2021-03-05","01:49:05",""
"7242129","25.3649","0.0001","25.3649","0.0001","15.2716","0.0001","90","","90","","90","","9825.41","0.08","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C14 H8 N O7 Tb -","- C14 H8 N O7 Tb -","- C224 H128 N16 O112 Tb16 -","16","1","","Dong, Jian-Peng; Li, Bo; Jin, Yu-Jie; Wang, Li-Ya","Efficient detection of Fe(iii) and chromate ions in water using two robust lanthanide metal‒organic frameworks","CrystEngComm","2021","23","7","1677","1683","10.1039/D0CE01802C","","","1.54178","CuKα","","0.0642","0.0607","","","0.2499","0.2579","","","","","","1.105","","","","has coordinates","262589","2021-03-05","01:49:05",""
"7242130","13.4885","0.0001","11.1767","0.0001","16.4909","0.0002","90","","98.544","0.001","90","","2458.53","0.04","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H16 N2 O2 S -","- C11 H16 N2 O2 S -","- C88 H128 N16 O16 S8 -","8","2","","Tan, Sang Loon; Tiekink, Edward R. T.","Non-covalent interactions involving remote substituents influence the topologies of supramolecular chains featuring hydroxyl-O‒H⋯O(hydroxyl) hydrogen bonding in crystals of (HOCH2CH2)2NC(S)N(H)(C6H4Y-4) for Y = H, Me, Cl and NO2","CrystEngComm","2021","23","8","1723","1743","10.1039/D0CE01810D","","","1.54184","CuKα","","0.0323","0.0304","","","0.0765","0.0778","","","","","","1.054","","","","has coordinates","262554","2021-03-05","01:43:08",""
"7242131","7.1366","0.0002","10.7767","0.0003","16.6259","0.0004","90","","100.221","0.002","90","","1258.39","0.06","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H15 Cl N2 O2 S -","- C11 H15 Cl N2 O2 S -","- C44 H60 Cl4 N8 O8 S4 -","4","1","","Tan, Sang Loon; Tiekink, Edward R. T.","Non-covalent interactions involving remote substituents influence the topologies of supramolecular chains featuring hydroxyl-O‒H⋯O(hydroxyl) hydrogen bonding in crystals of (HOCH2CH2)2NC(S)N(H)(C6H4Y-4) for Y = H, Me, Cl and NO2","CrystEngComm","2021","23","8","1723","1743","10.1039/D0CE01810D","","","1.54184","CuKα","","0.0365","0.0308","","","0.075","0.08","","","","","","1.042","","","","has coordinates","262554","2021-03-05","01:43:08",""
"7242132","10.8235","0.0005","11.2124","0.0005","12.3443","0.0005","90.05","0.003","108.737","0.004","114.559","0.004","1274.54","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H15 N3 O4 S -","- C11 H15 N3 O4 S -","- C44 H60 N12 O16 S4 -","4","2","","Tan, Sang Loon; Tiekink, Edward R. T.","Non-covalent interactions involving remote substituents influence the topologies of supramolecular chains featuring hydroxyl-O‒H⋯O(hydroxyl) hydrogen bonding in crystals of (HOCH2CH2)2NC(S)N(H)(C6H4Y-4) for Y = H, Me, Cl and NO2","CrystEngComm","2021","23","8","1723","1743","10.1039/D0CE01810D","","","0.71073","MoKα","","0.0539","0.0408","","","0.1043","0.1142","","","","","","1.049","","","","has coordinates","262554","2021-03-05","01:43:08",""
"7242133","7.0472","0.0002","10.7489","0.0002","16.9533","0.0004","90","","99.109","0.002","90","","1268.01","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 N2 O2 S -","- C12 H18 N2 O2 S -","- C48 H72 N8 O8 S4 -","4","1","","Tan, Sang Loon; Tiekink, Edward R. T.","Non-covalent interactions involving remote substituents influence the topologies of supramolecular chains featuring hydroxyl-O‒H⋯O(hydroxyl) hydrogen bonding in crystals of (HOCH2CH2)2NC(S)N(H)(C6H4Y-4) for Y = H, Me, Cl and NO2","CrystEngComm","2021","23","8","1723","1743","10.1039/D0CE01810D","","","1.5418","CuKα","","0.0326","0.0291","","","0.0708","0.0735","","","","","","1.047","","","","has coordinates","262554","2021-03-05","01:43:08",""
"7242134","8.972","0.006","7.067","0.005","16.369","0.01","90","","94.273","0.011","90","","1035","1.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,4,6-triamino-1,3,5-triazine-1,3-dioxide tetrahydrate","","- C3 H14 N6 O6 -","- C3 H14 N6 O6 -","- C12 H56 N24 O24 -","4","1","","Feng, Zhicun; Zhang, Yu; Li, Yanan; Xu, Kangzhen","Adjacent N→O and C‒NH2 groups — a highly efficient amphoteric structure for energetic materials resulting from tautomerization proved by crystal engineering","CrystEngComm","2021","23","7","1544","1549","10.1039/D0CE01427C","","","0.71073","MoKα","","0.0616","0.0433","","","0.1122","0.1237","","","","","","1.014","","","","has coordinates","262590","2021-03-05","01:49:15",""
"7242135","15.358","0.006","7.426","0.003","15.144","0.006","90","","111.743","0.007","90","","1604.3","1.1","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4,6-diamino-1,3-dihydroxy-2-oxo-2,3-dihydro-1,3,5-triazin-1-ium nitrate","","- C3 H6 N6 O6 -","- C3 H6 N6 O6 -","- C24 H48 N48 O48 -","8","1","","Feng, Zhicun; Zhang, Yu; Li, Yanan; Xu, Kangzhen","Adjacent N→O and C‒NH2 groups — a highly efficient amphoteric structure for energetic materials resulting from tautomerization proved by crystal engineering","CrystEngComm","2021","23","7","1544","1549","10.1039/D0CE01427C","","","0.71073","MoKα","","0.1017","0.05","","","0.1118","0.1379","","","","","","0.985","","","","has coordinates","262590","2021-03-05","01:49:15",""
"7242136","7.055","0.003","8.868","0.004","9.776","0.004","86.644","0.007","69.909","0.007","87.122","0.008","573.1","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","sodium 4,6-diamino-2-imino-3-oxido-2,3-dihydro-1,3,5-triazine-1-oxide pentahydrate","","- C6 H30 N12 Na2 O14 -","- C6 H30 N12 Na2 O14 -","- C6 H30 N12 Na2 O14 -","1","0.5","","Feng, Zhicun; Zhang, Yu; Li, Yanan; Xu, Kangzhen","Adjacent N→O and C‒NH2 groups — a highly efficient amphoteric structure for energetic materials resulting from tautomerization proved by crystal engineering","CrystEngComm","2021","23","7","1544","1549","10.1039/D0CE01427C","","","0.71073","MoKα","","0.1594","0.1089","","","0.2548","0.3113","","","","","","0.908","","","","has coordinates","262590","2021-03-05","01:49:15",""
"7242137","13.067","0.003","14.398","0.003","6.5342","0.0013","90","","90","","90","","1229.3","0.5","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","4,6-diamino-3-hydroxy-2-oxo-2,3-dihydro-1,3,5-triazine-1-oxide hemihydrate","","- C6 H12 N10 O7 -","- C6 H12 N10 O7 -","- C24 H48 N40 O28 -","4","0.5","","Feng, Zhicun; Zhang, Yu; Li, Yanan; Xu, Kangzhen","Adjacent N→O and C‒NH2 groups — a highly efficient amphoteric structure for energetic materials resulting from tautomerization proved by crystal engineering","CrystEngComm","2021","23","7","1544","1549","10.1039/D0CE01427C","","","0.71073","MoKα","","0.1057","0.052","","","0.0962","0.1123","","","","","","0.881","","","","has coordinates","262590","2021-03-05","01:49:15",""
"7242138","10.619","0.002","7.138","0.0014","14.224","0.003","90","","103.238","0.003","90","","1049.5","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","sodium 4,6-diamino-3-oxido-2-oxo-2,3-dihydro-1,3,5-triazine-1-oxide tetrahydrate","","- C3 H12 N5 Na O7 -","- C3 H12 N5 Na O7 -","- C12 H48 N20 Na4 O28 -","4","1","","Feng, Zhicun; Zhang, Yu; Li, Yanan; Xu, Kangzhen","Adjacent N→O and C‒NH2 groups — a highly efficient amphoteric structure for energetic materials resulting from tautomerization proved by crystal engineering","CrystEngComm","2021","23","7","1544","1549","10.1039/D0CE01427C","","","0.71073","MoKα","","0.0546","0.0382","","","0.09","0.0975","","","","","","0.96","","","","has coordinates","262590","2021-03-05","01:49:15",""
"7242139","13.776","0.007","3.764","0.002","12.796","0.006","90","","90","","90","","663.5","0.6","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","potassium 4,6-diamino-2-imino-3-oxido-2,3-dihydro-1,3,5-triazine-1-oxide","","- C3 H5 K N6 O2 -","- C3 H5 K N6 O2 -","- C12 H20 K4 N24 O8 -","4","1","","Feng, Zhicun; Zhang, Yu; Li, Yanan; Xu, Kangzhen","Adjacent N→O and C‒NH2 groups — a highly efficient amphoteric structure for energetic materials resulting from tautomerization proved by crystal engineering","CrystEngComm","2021","23","7","1544","1549","10.1039/D0CE01427C","","","0.71073","MoKα","","0.0911","0.0507","","","0.0764","0.0876","","","","","","0.833","","","","has coordinates","262590","2021-03-05","01:49:15",""
"7242140","4.0471","0.0009","11.869","0.003","16.879","0.004","90","","91.091","0.004","90","","810.6","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,4,6-triamino-1,3,5-triazine-1,3-dioxide dihydrate","","- C3 H10 N6 O4 -","- C3 H10 N6 O4 -","- C12 H40 N24 O16 -","4","1","","Feng, Zhicun; Zhang, Yu; Li, Yanan; Xu, Kangzhen","Adjacent N→O and C‒NH2 groups — a highly efficient amphoteric structure for energetic materials resulting from tautomerization proved by crystal engineering","CrystEngComm","2021","23","7","1544","1549","10.1039/D0CE01427C","","","0.71073","MoKα","","0.0407","0.0341","","","0.0873","0.0924","","","","","","1.024","","","","has coordinates","262590","2021-03-05","01:49:15",""
"7242141","9.2305","0.0009","7.0126","0.0007","27.175","0.002","90","","90","","90","","1759","0.3","296","2","296","2","","","","","","","","5","P b c m","-P 2c 2b","57","","potassium 4,6-diamino-3-oxido-2-oxo-2,3-dihydro-1,3,5-triazine-1-oxide . 2.5H2O","","- C6 H18 K2 N10 O11 -","- C6 H18 K2 N10 O11 -","- C24 H72 K8 N40 O44 -","4","0.5","","Feng, Zhicun; Zhang, Yu; Li, Yanan; Xu, Kangzhen","Adjacent N→O and C‒NH2 groups — a highly efficient amphoteric structure for energetic materials resulting from tautomerization proved by crystal engineering","CrystEngComm","2021","23","7","1544","1549","10.1039/D0CE01427C","","","0.71073","MoKα","","0.0525","0.0423","","","0.1287","0.136","","","","","","1.057","","","","has coordinates","262590","2021-03-05","01:49:15",""
"7242142","7.448","0.003","8.709","0.004","10.072","0.004","114.164","0.006","94.456","0.006","107.497","0.007","553.2","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","2,4,6-triamino-1,3-dihydroxy-1,3,5-triazine-1,3-diium dinitrate monohydrate","","- C3 H10 N8 O9 -","- C3 H10 N8 O9 -","- C6 H20 N16 O18 -","2","1","","Feng, Zhicun; Zhang, Yu; Li, Yanan; Xu, Kangzhen","Adjacent N→O and C‒NH2 groups — a highly efficient amphoteric structure for energetic materials resulting from tautomerization proved by crystal engineering","CrystEngComm","2021","23","7","1544","1549","10.1039/D0CE01427C","","","0.71073","MoKα","","0.1059","0.0591","","","0.1427","0.1732","","","","","","1.002","","","","has coordinates","262590","2021-03-05","01:49:15",""
"7242143","6.635","0.003","13.288","0.006","10.347","0.002","90","","96.915","0.018","90","","905.6","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,4,6-triamino-3-hydroxy-1,3,5-triazin-3-ium-1-oxide nitrate monohydrate","","- C3 H9 N7 O6 -","- C3 H9 N7 O6 -","- C12 H36 N28 O24 -","4","1","","Feng, Zhicun; Zhang, Yu; Li, Yanan; Xu, Kangzhen","Adjacent N→O and C‒NH2 groups — a highly efficient amphoteric structure for energetic materials resulting from tautomerization proved by crystal engineering","CrystEngComm","2021","23","7","1544","1549","10.1039/D0CE01427C","","","0.71073","MoKα","","0.1915","0.0627","","","0.1183","0.1575","","","","","","0.767","","","","has coordinates","262590","2021-03-05","01:49:15",""
"7242155","11.7035","0.0003","11.3841","0.0003","25.252","0.0007","90","","94.194","0.001","90","","3355.41","0.15","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H44 N10 Ni2 O6 -","- C27 H44 N10 Ni2 O6 -","- C108 H176 N40 Ni8 O24 -","4","1","","Khan, Samim; Dutta, Tamal; Cortijo, Miguel; González-Prieto, Rodrigo; Drew, Michael G. B.; Gomila, Rosa M.; Frontera, Antonio; Chattopadhyay, Shouvik","Phenoxido mediated antiferromagnetic and azide mediated ferromagnetic coupling in two dinuclear ferromagnetic nickel(ii) complexes with isomeric Schiff bases: a theoretical insight on the pathway of magnetic interaction","CrystEngComm","2021","23","9","1942","1952","10.1039/D0CE01861A","","","0.71073","MoKα","","0.0519","0.0405","","","0.1046","0.1095","","","","","","1.104","","","","has coordinates,has disorder","263727","2021-04-05","14:34:50",""
"7242156","11.5492","0.0004","12.424","0.0003","21.6851","0.0006","90","","90","","90","","3111.54","0.16","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H40 N10 Ni2 O5 -","- C26 H40 N10 Ni2 O5 -","- C104 H160 N40 Ni8 O20 -","4","1","","Khan, Samim; Dutta, Tamal; Cortijo, Miguel; González-Prieto, Rodrigo; Drew, Michael G. B.; Gomila, Rosa M.; Frontera, Antonio; Chattopadhyay, Shouvik","Phenoxido mediated antiferromagnetic and azide mediated ferromagnetic coupling in two dinuclear ferromagnetic nickel(ii) complexes with isomeric Schiff bases: a theoretical insight on the pathway of magnetic interaction","CrystEngComm","2021","23","9","1942","1952","10.1039/D0CE01861A","","","0.71073","MoKα","","0.0275","0.026","","","0.0555","0.056","","","","","","1.063","","","","has coordinates","263727","2021-04-05","14:34:50",""
"7242157","10.8408","0.0011","11.1512","0.0011","11.3568","0.0011","84.292","0.005","75.957","0.005","69.533","0.005","1247.6","0.2","298","2","298.15","","","","","","","","","5","P -1","-P 1","2","","trans-4-stilbazole hexafluorophosphate","","- C26 H23 F6 N2 P -","- C26 H23 F6 N2 P -","- C52 H46 F12 N4 P2 -","2","1","","Li, Changan; Campillo-Alvarado, Gonzalo; Swenson, Dale C.; MacGillivray, Leonard R.","Photoreactive salt cocrystal: N±-H⋯N hydrogen bond and cation‒π interactions support a cascade-like photodimerization of a 4-stilbazole","CrystEngComm","2021","23","5","1071","1074","10.1039/D0CE01885F","","","0.71073","MoKα","","0.0889","0.055","","","0.1465","0.1637","","","","","","1.073","","","","has coordinates,has disorder","262571","2021-03-05","01:46:00",""
"7242158","9.93","0.007","11.296","0.008","11.859","0.009","87.742","0.01","83.324","0.009","65.023","0.009","1197.6","1.5","150.15","","150.15","","","","","","","","","5","P -1","-P 1","2","","trans-4-stilbazole, 1,3-bis(4'-pyridyl)-2,4-bis(phenyl)cyclobutane hexafluorophosphate","","- C26 H23 F6 N2 P -","- C26 H23 F6 N2 P -","- C52 H46 F12 N4 P2 -","2","1","","Li, Changan; Campillo-Alvarado, Gonzalo; Swenson, Dale C.; MacGillivray, Leonard R.","Photoreactive salt cocrystal: N±-H⋯N hydrogen bond and cation‒π interactions support a cascade-like photodimerization of a 4-stilbazole","CrystEngComm","2021","23","5","1071","1074","10.1039/D0CE01885F","","","0.71073","MoKα","","0.2288","0.1069","","","0.2422","0.2896","","","","","","0.937","","","","has coordinates","262571","2021-03-05","01:46:00",""
"7242159","10.6906","0.0011","11.0302","0.0011","11.085","0.0011","84.721","0.005","76.416","0.005","70.095","0.002","1194.6","0.2","125","2","125.15","","","","","","","","","5","P -1","-P 1","2","","trans-4-stilbazole hexafluorophosphate","","- C26 H23 F6 N2 P -","- C26 H23 F6 N2 P -","- C52 H46 F12 N4 P2 -","2","1","","Li, Changan; Campillo-Alvarado, Gonzalo; Swenson, Dale C.; MacGillivray, Leonard R.","Photoreactive salt cocrystal: N±-H⋯N hydrogen bond and cation‒π interactions support a cascade-like photodimerization of a 4-stilbazole","CrystEngComm","2021","23","5","1071","1074","10.1039/D0CE01885F","","","0.71073","MoKα","","0.0704","0.0488","","","0.1089","0.123","","","","","","1.021","","","","has coordinates,has disorder","262571","2021-03-05","01:46:00",""
"7242160","8.0382","0.0003","12.2095","0.0004","14.6675","0.0006","101.51","0.003","90.312","0.003","97.846","0.003","1396.56","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H24 Cl3 Dy N2 O5 -","- C28 H24 Cl3 Dy N2 O5 -","- C56 H48 Cl6 Dy2 N4 O10 -","2","1","","Wang, Ruirui; Yao, Binling; Bai, Feifei; Wang, Wen; Li, Licun; Ma, Yue; Wang, Qinglun; Zhao, Bin; Zhang, Yuanzhu","A seven-coordinated DyIII single-ion magnet with C2v symmetry constructed by a multidentate Schiff-base ligand","CrystEngComm","2021","23","8","1718","1722","10.1039/D0CE01826K","","x-ray","0.71073","MoKα","","0.0628","0.0429","","","0.0811","0.0872","","","","","","1.033","","","","has coordinates","262557","2021-03-05","01:43:47",""
"7242161","8.1546","0.0005","12.2361","0.0007","14.7108","0.0008","101.392","0.002","90.257","0.002","98.318","0.002","1422.97","0.14","299","2","299.12","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H24 Cl3 N2 O5 Tb -","- C28 H24 Cl3 N2 O5 Tb -","- C56 H48 Cl6 N4 O10 Tb2 -","2","1","","Wang, Ruirui; Yao, Binling; Bai, Feifei; Wang, Wen; Li, Licun; Ma, Yue; Wang, Qinglun; Zhao, Bin; Zhang, Yuanzhu","A seven-coordinated DyIII single-ion magnet with C2v symmetry constructed by a multidentate Schiff-base ligand","CrystEngComm","2021","23","8","1718","1722","10.1039/D0CE01826K","","","0.71073","MoKα","","0.0479","0.032","","","0.0656","0.0709","","","","","","1.035","","","","has coordinates","262557","2021-03-05","01:43:47",""
"7242162","7.6162","0.0002","9.0782","0.0002","33.1663","0.0009","97.562","0.002","91.13","0.002","93.405","0.002","2268.33","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","1,2-bis(2-methyl-5-(4-undecyloxyphenyl)-3-thienyl)perfluorocyclopentene","","- C49 H62 F6 O2 S2 -","- C49 H62 F6 O2 S2 -","- C98 H124 F12 O4 S4 -","2","1","","Higashiguchi, Takuya; Kitagawa, Daichi; Kobatake, Seiya","Anisotropic bending and twisting behaviour of a twin crystal composed of a diarylethene","CrystEngComm","2021","23","34","5795","5800","10.1039/D0CE01705A","","","0.71075","MoKα","","0.0667","0.0578","","","0.1514","0.1582","","","","","","1.13","","","","has coordinates","268692","2021-09-06","10:33:11",""
"7242166","16.369","0.003","17.804","0.003","25.19","0.007","90","","90","","90","","7341","3","168","2","168","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C64 H52 Ba3 N2 O16 -","- C64 H52 Ba3 N2 O16 -","- C256 H208 Ba12 N8 O64 -","4","1","","Wang, Meng; Liu, Jiao; Jin, Jing; Wu, Dan; Yang, Guoping; Zhang, Wen-Yan; Wang, Yao-Yu","A new 3D luminescent Ba-organic framework with high open metal sites: CO2 fixation, luminescence sensing, and dye sorption","CrystEngComm","2021","23","3","663","670","10.1039/D0CE01604G","","","0.71073","MoKα","","0.0356","0.0341","","","0.1067","0.1082","","","","","","1.077","","","","has coordinates","261246","2021-01-27","02:40:29",""
"7242167","8.632","0.007","19.326","0.019","12.434","0.008","90","","97.75","0.03","90","","2055","3","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C31 H45 Co N5 O4 P2 S4 -","- C31 H45 Co N5 O4 P2 S4 -","- C62 H90 Co2 N10 O8 P4 S8 -","2","1","","Kataeva, Olga; Metlushka, Kirill; Ivshin, Kamil; Yamaleeva, Zilya; Zinnatullin, Ruzal; Nikitina, Kristina; Badeeva, Elena; Khrizanforova, Vera; Budnikova, Yulia; Naumann, Marco; Wellm, Christoph; Alfonsov, Alexey; Kataev, Vladislav; Büchner, Bernd; Knupfer, Martin","Supramolecular chirality in the crystals of mononuclear and polymeric cobalt(ii) complexes with enantiopure and racemic N-thiophosphorylated thioureas","CrystEngComm","2021","23","10","2081","2090","10.1039/D0CE01871F","","","0.71073","MoKα","","0.1152","0.068","","","0.1507","0.1737","","","","","","0.958","","","","has coordinates,has disorder","263719","2021-04-05","14:33:10",""
"7242168","24.5759","0.0011","39.5254","0.0018","7.5072","0.0003","90","","90","","90","","7292.3","0.5","150","2","150","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C30 H44 Co N6 O4 P2 S4 -","- C30 H44 Co N6 O4 P2 S4 -","- C240 H352 Co8 N48 O32 P16 S32 -","8","0.5","","Kataeva, Olga; Metlushka, Kirill; Ivshin, Kamil; Yamaleeva, Zilya; Zinnatullin, Ruzal; Nikitina, Kristina; Badeeva, Elena; Khrizanforova, Vera; Budnikova, Yulia; Naumann, Marco; Wellm, Christoph; Alfonsov, Alexey; Kataev, Vladislav; Büchner, Bernd; Knupfer, Martin","Supramolecular chirality in the crystals of mononuclear and polymeric cobalt(ii) complexes with enantiopure and racemic N-thiophosphorylated thioureas","CrystEngComm","2021","23","10","2081","2090","10.1039/D0CE01871F","","","0.71073","MoKα","","0.0199","0.0197","","","0.0545","0.0546","","","","","","1.113","","","","has coordinates","263719","2021-04-05","14:33:10",""
"7242169","23.624","0.005","9.1342","0.0019","18.34","0.004","90","","102.254","0.008","90","","3867.4","1.4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C31 H45 Co N5 O4 P2 S4 -","- C31 H45 Co N5 O4 P2 S4 -","- C124 H180 Co4 N20 O16 P8 S16 -","4","0.5","","Kataeva, Olga; Metlushka, Kirill; Ivshin, Kamil; Yamaleeva, Zilya; Zinnatullin, Ruzal; Nikitina, Kristina; Badeeva, Elena; Khrizanforova, Vera; Budnikova, Yulia; Naumann, Marco; Wellm, Christoph; Alfonsov, Alexey; Kataev, Vladislav; Büchner, Bernd; Knupfer, Martin","Supramolecular chirality in the crystals of mononuclear and polymeric cobalt(ii) complexes with enantiopure and racemic N-thiophosphorylated thioureas","CrystEngComm","2021","23","10","2081","2090","10.1039/D0CE01871F","","","0.71073","MoKα","","0.1191","0.061","","","0.1456","0.177","","","","","","1.035","","","","has coordinates,has disorder","263719","2021-04-05","14:33:10",""
"7242170","12.6723","0.0006","19.8452","0.0009","7.445","0.0004","90","","90","","90","","1872.3","0.16","150","2","150","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C30 H44 Co N6 O4 P2 S4 -","- C30 H44 Co N6 O4 P2 S4 -","- C60 H88 Co2 N12 O8 P4 S8 -","2","0.5","","Kataeva, Olga; Metlushka, Kirill; Ivshin, Kamil; Yamaleeva, Zilya; Zinnatullin, Ruzal; Nikitina, Kristina; Badeeva, Elena; Khrizanforova, Vera; Budnikova, Yulia; Naumann, Marco; Wellm, Christoph; Alfonsov, Alexey; Kataev, Vladislav; Büchner, Bernd; Knupfer, Martin","Supramolecular chirality in the crystals of mononuclear and polymeric cobalt(ii) complexes with enantiopure and racemic N-thiophosphorylated thioureas","CrystEngComm","2021","23","10","2081","2090","10.1039/D0CE01871F","","","0.71073","MoKα","","0.0227","0.0221","","","0.0587","0.0591","","","","","","1.074","","","","has coordinates,has disorder","263719","2021-04-05","14:33:10",""
"7242171","27.2403","0.001","27.2403","0.001","31.01","0.002","90","","90","","120","","19927.7","1.6","296","2","296.15","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C30 H24 N6 Ru Se9 Sn4 -","- C30 H24 N6 Ru Se9 Sn4 -","- C540 H432 N108 Ru18 Se162 Sn72 -","18","1","","Zhang, Tao; Hu, Yue-Qiao; Li, Qian-Wen; Chen, Wei-Peng; Zheng, Yan-Zhen","Coupling an organic photosensitizer and an inorganic framework into a single-phase material that shows visible-light photocurrent response","CrystEngComm","2021","23","9","1881","1884","10.1039/D0CE01685C","","","0.71073","MoKα","","0.0317","0.0293","","","0.0711","0.0726","","","","","","1.031","","","","has coordinates","263723","2021-04-05","14:34:11",""
"7242172","8.677","0.002","9.036","0.004","10.283","0.004","77.57","0.03","78.49","0.03","78.96","0.019","762.2","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H13 N13 O6 -","- C9 H13 N13 O6 -","- C18 H26 N26 O12 -","2","1","","Cheng, Yanfei; Chen, Xiang; Yang, Na; Zhang, Yazhou; Ma, Haixia; Guo, Zhaoqi","Sandwich-like low-sensitive nitroamine explosives stabilized by hydrogen bonds and π‒π stacking interactions","CrystEngComm","2021","23","9","1953","1960","10.1039/D0CE01882A","","","1.34138","synchrotron","","0.0448","0.0391","","","0.099","0.1044","","","","","","1.0697","","","","has coordinates","263724","2021-04-05","14:34:19",""
"7242173","21.16","0.05","13.182","0.009","11.89","0.02","90","","105.45","0.18","90","","3197","10","150","2","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H29 N30 O11.5 -","- C16 H29 N30 O11.5 -","- C64 H116 N120 O46 -","4","1","","Cheng, Yanfei; Chen, Xiang; Yang, Na; Zhang, Yazhou; Ma, Haixia; Guo, Zhaoqi","Sandwich-like low-sensitive nitroamine explosives stabilized by hydrogen bonds and π‒π stacking interactions","CrystEngComm","2021","23","9","1953","1960","10.1039/D0CE01882A","","","1.34138","GaKα","","0.1039","0.0769","","","0.2011","0.2248","","","","","","1.043","","","","has coordinates","263724","2021-04-05","14:34:28",""
"7242174","8.7512","0.0006","9.7054","0.0006","12.4718","0.0009","67.684","0.006","74.454","0.006","65.499","0.006","883.98","0.12","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H32 Cu2 N4 O20 -","- C32 H32 Cu2 N4 O20 -","- C32 H32 Cu2 N4 O20 -","1","0.5","","da Cunha, Tamyris T.; da Silveira, Cleverton O. C.; Barbosa, Vitor M. M.; Oliveira, Willian X. C.; da Silva Júnior, Eufrânio N.; Ferreira, Fabio F.; Pedroso, Emerson F.; Pereira, Cynthia L. M.","Ferromagnetic coupling in a dicopper(ii) oxamate complex bridged by carboxylate groups","CrystEngComm","2021","23","9","1885","1897","10.1039/D0CE01742F","","","0.71073","MoKα","","0.0431","0.0333","","","0.0768","0.0824","","","","","","1.056","","","","has coordinates","263730","2021-04-05","14:35:21",""
"7242175","12.3838","0.0006","7.2105","0.0003","20.8942","0.0009","90","","105.847","0.005","90","","1794.81","0.15","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 N2 O10 Zn -","- C16 H16 N2 O10 Zn -","- C64 H64 N8 O40 Zn4 -","4","0.5","","da Cunha, Tamyris T.; da Silveira, Cleverton O. C.; Barbosa, Vitor M. M.; Oliveira, Willian X. C.; da Silva Júnior, Eufrânio N.; Ferreira, Fabio F.; Pedroso, Emerson F.; Pereira, Cynthia L. M.","Ferromagnetic coupling in a dicopper(ii) oxamate complex bridged by carboxylate groups","CrystEngComm","2021","23","9","1885","1897","10.1039/D0CE01742F","","","0.71073","MoKα","","0.0276","0.025","","","0.063","0.0645","","","","","","1.11","","","","has coordinates","263730","2021-04-05","14:35:21",""
"7242176","9.3282","0.0005","9.0226","0.0005","9.2963","0.0005","90","","95.931","0.006","90","","778.23","0.07","298","2","298","","100","","100","","","","UFMG","5","P 1 21/c 1","-P 2ybc","14","Cufenox","","","- C16 H12 Cu N2 O8 -","- C16 H12 Cu N2 O8 -","- C32 H24 Cu2 N4 O16 -","2","0.5","","da Cunha, Tamyris T.; da Silveira, Cleverton O. C.; Barbosa, Vitor M. M.; Oliveira, Willian X. C.; da Silva Júnior, Eufrânio N.; Ferreira, Fabio F.; Pedroso, Emerson F.; Pereira, Cynthia L. M.","Ferromagnetic coupling in a dicopper(ii) oxamate complex bridged by carboxylate groups","CrystEngComm","2021","23","9","1885","1897","10.1039/D0CE01742F","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","0.01457","2.674","","","","","","","has coordinates","263730","2021-04-05","14:35:21",""
"7242177","17.8273","0.0006","17.8273","0.0006","17.8273","0.0006","90","","90","","90","","5665.7","0.3","100","2","100","2","","","","","","","","5","P 43 3 2","P 4acd 2ab 3","212","","","","- C2 H12 N6 O4 S -","- C2 H12 N6 O4 S -","- C40 H240 N120 O80 S20 -","20","0.833333","","Brummel, Beau R.; Lee, Kinsey G.; Kolis, Joseph W.; Whitehead, Daniel C.; McMillen, Colin D.","Guanidinium sulfates as directors of noncentrosymmetric structures","CrystEngComm","2021","23","7","1643","1656","10.1039/D0CE01817A","","","0.71073","MoKα","","0.0384","0.0371","","","0.1163","0.1178","","","","","","1.199","","","","has coordinates","262586","2021-03-05","01:48:42",""
"7242178","7.1728","0.0004","11.1002","0.0007","19.361","0.0012","90","","100.265","0.002","90","","1516.84","0.16","140","2","140","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H38 N8 O10 S2 -","- C22 H38 N8 O10 S2 -","- C44 H76 N16 O20 S4 -","2","1","","Brummel, Beau R.; Lee, Kinsey G.; Kolis, Joseph W.; Whitehead, Daniel C.; McMillen, Colin D.","Guanidinium sulfates as directors of noncentrosymmetric structures","CrystEngComm","2021","23","7","1643","1656","10.1039/D0CE01817A","","","0.71073","MoKα","","0.039","0.0336","","","0.0762","0.0785","","","","","","1.025","","","","has coordinates","262586","2021-03-05","01:48:42",""
"7242179","10.8776","0.0004","10.8776","0.0004","20.4184","0.0007","90","","90","","90","","2415.95","0.15","100","2","100","2","","","","","","","","5","P 41","P 4w","76","","","","- C9 H34 N10 O8 S2 -","- C9 H34 N10 O8 S2 -","- C36 H136 N40 O32 S8 -","4","1","","Brummel, Beau R.; Lee, Kinsey G.; Kolis, Joseph W.; Whitehead, Daniel C.; McMillen, Colin D.","Guanidinium sulfates as directors of noncentrosymmetric structures","CrystEngComm","2021","23","7","1643","1656","10.1039/D0CE01817A","","","0.71073","MoKα","","0.0268","0.0254","","","0.062","0.0628","","","","","","1.09","","","","has coordinates","262586","2021-03-05","01:48:42",""
"7242180","26.0251","0.0008","22.0693","0.0006","12.5545","0.0004","90","","90","","90","","7210.7","0.4","140","2","140","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H87 N34 O26.5 S6 -","- C21 H87 N34 O26.5 S6 -","- C84 H348 N136 O106 S24 -","4","1","","Brummel, Beau R.; Lee, Kinsey G.; Kolis, Joseph W.; Whitehead, Daniel C.; McMillen, Colin D.","Guanidinium sulfates as directors of noncentrosymmetric structures","CrystEngComm","2021","23","7","1643","1656","10.1039/D0CE01817A","","","0.71073","MoKα","","0.0642","0.0482","","","0.1309","0.142","","","","","","1.045","","","","has coordinates,has disorder","262586","2021-03-05","01:48:42",""
"7242181","12.3826","0.0009","11.1225","0.0007","7.7723","0.0005","90","","102.385","0.002","90","","1045.53","0.12","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C8 H26 N10 O9 S2 -","- C8 H26 N10 O9 S2 -","- C16 H52 N20 O18 S4 -","2","0.5","","Brummel, Beau R.; Lee, Kinsey G.; Kolis, Joseph W.; Whitehead, Daniel C.; McMillen, Colin D.","Guanidinium sulfates as directors of noncentrosymmetric structures","CrystEngComm","2021","23","7","1643","1656","10.1039/D0CE01817A","","","0.71073","MoKα","","0.0223","0.0216","","","0.055","0.0554","","","","","","1.076","","","","has coordinates,has disorder","262586","2021-03-05","01:48:42",""
"7242182","7.4737","0.0006","11.8491","0.0011","13.0179","0.0013","90","","93.723","0.003","90","","1150.39","0.18","140","2","140","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H28 N10 O9 S2 -","- C9 H28 N10 O9 S2 -","- C18 H56 N20 O18 S4 -","2","1","","Brummel, Beau R.; Lee, Kinsey G.; Kolis, Joseph W.; Whitehead, Daniel C.; McMillen, Colin D.","Guanidinium sulfates as directors of noncentrosymmetric structures","CrystEngComm","2021","23","7","1643","1656","10.1039/D0CE01817A","","","0.71073","MoKα","","0.034","0.0297","","","0.068","0.0701","","","","","","1.056","","","","has coordinates","262586","2021-03-05","01:48:42",""
"7242183","10.0469","0.001","10.0469","0.001","17.318","0.0017","90","","90","","120","","1513.9","0.3","100","2","100","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C8 H24 N10 O8 S2 -","- C7.9998 H24 N10.0002 O8 S2 -","- C23.9994 H72 N30.0006 O24 S6 -","3","0.166667","","Brummel, Beau R.; Lee, Kinsey G.; Kolis, Joseph W.; Whitehead, Daniel C.; McMillen, Colin D.","Guanidinium sulfates as directors of noncentrosymmetric structures","CrystEngComm","2021","23","7","1643","1656","10.1039/D0CE01817A","","","0.71073","MoKα","","0.0265","0.0257","","","0.0629","0.0632","","","","","","1.091","","","","has coordinates","262586","2021-03-05","01:48:42",""
"7242184","8.2933","0.0003","9.051","0.0003","9.0781","0.0003","97.574","0.002","96.833","0.002","111.473","0.002","618.18","0.04","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H24 Fe N6 O2 S2 -","- C24 H24 Fe N6 O2 S2 -","- C24 H24 Fe N6 O2 S2 -","1","0.5","","Adams, Christopher J.; Haddow, Mairi F.; Harding, David J.; Podesta, Thomas J.; Waddington, Rachel E.","Iron(ii) thio- and selenocyanate coordination networks containing 3,3′-bipyridine","CrystEngComm","2011","13","15","4909","","10.1039/c1ce05352c","","","0.71073","MoKα","","0.0275","0.0255","","","0.0751","0.0768","","","","","","1.056","","","","has coordinates","261270","2021-01-27","16:26:17",""
"7242185","8.6187","0.0004","8.9469","0.0004","9.1211","0.0004","94.987","0.002","111.423","0.002","97.27","0.002","642.69","0.05","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H24 Fe N6 O2 Se2 -","- C24 H24 Fe N6 O2 Se2 -","- C24 H24 Fe N6 O2 Se2 -","1","0.5","","Adams, Christopher J.; Haddow, Mairi F.; Harding, David J.; Podesta, Thomas J.; Waddington, Rachel E.","Iron(ii) thio- and selenocyanate coordination networks containing 3,3′-bipyridine","CrystEngComm","2011","13","15","4909","","10.1039/c1ce05352c","","","0.71073","MoKα","","0.0191","0.0175","","","0.0478","0.0486","","","","","","1.055","","","","has coordinates","261270","2021-01-27","16:26:18",""
"7242186","8.6506","0.0003","9.2253","0.0003","14.1506","0.0004","90","","94.43","0.002","90","","1125.91","0.06","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 Fe N6 S2 -","- C22 H16 Fe N6 S2 -","- C44 H32 Fe2 N12 S4 -","2","0.5","","Adams, Christopher J.; Haddow, Mairi F.; Harding, David J.; Podesta, Thomas J.; Waddington, Rachel E.","Iron(ii) thio- and selenocyanate coordination networks containing 3,3′-bipyridine","CrystEngComm","2011","13","15","4909","","10.1039/c1ce05352c","","","0.71073","MoKα","","0.0438","0.0342","","","0.087","0.095","","","","","","1.035","","","","has coordinates","261270","2021-01-27","16:26:18",""
"7242187","17.053","0.008","10.562","0.005","18.44","0.009","90","","99.51","0.03","90","","3276","3","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 Cl6 Fe N6 S2 -","- C24 H18 Cl6 Fe N6 S2 -","- C96 H72 Cl24 Fe4 N24 S8 -","4","0.5","","Adams, Christopher J.; Haddow, Mairi F.; Harding, David J.; Podesta, Thomas J.; Waddington, Rachel E.","Iron(ii) thio- and selenocyanate coordination networks containing 3,3′-bipyridine","CrystEngComm","2011","13","15","4909","","10.1039/c1ce05352c","","","0.71073","MoKα","","0.0938","0.0623","","","0.1605","0.1892","","","","","","1.089","","","","has coordinates,has disorder","261270","2021-01-27","16:26:18",""
"7242188","17.1155","0.0003","10.4757","0.0002","18.5942","0.0003","90","","98.979","0.001","90","","3293.03","0.1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 Br6 Fe N6 S2 -","- C24 H18 Br6 Fe N6 S2 -","- C96 H72 Br24 Fe4 N24 S8 -","4","0.5","","Adams, Christopher J.; Haddow, Mairi F.; Harding, David J.; Podesta, Thomas J.; Waddington, Rachel E.","Iron(ii) thio- and selenocyanate coordination networks containing 3,3′-bipyridine","CrystEngComm","2011","13","15","4909","","10.1039/c1ce05352c","","","0.71073","MoKα","","0.0588","0.0477","","","0.1188","0.126","","","","","","1.071","","","","has coordinates,has disorder","261270","2021-01-27","16:26:18",""
"7242189","9.8578","0.0013","12.8582","0.0015","13.1284","0.0016","90","","96.601","0.006","90","","1653","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 Cl6 Fe N6 Se2 -","- C24 H18 Cl6 Fe N6 Se2 -","- C48 H36 Cl12 Fe2 N12 Se4 -","2","0.5","","Adams, Christopher J.; Haddow, Mairi F.; Harding, David J.; Podesta, Thomas J.; Waddington, Rachel E.","Iron(ii) thio- and selenocyanate coordination networks containing 3,3′-bipyridine","CrystEngComm","2011","13","15","4909","","10.1039/c1ce05352c","","","0.71073","MoKα","","0.0593","0.0392","","","0.0927","0.1","","","","","","1.082","","","","has coordinates","261270","2021-01-27","16:26:18",""
"7242190","16.7183","0.001","11.0655","0.0006","11.7733","0.0007","90","","127.456","0.002","90","","1728.96","0.18","200","2","200","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C24 H18 Br6 Fe N6 Se2 -","- C24 H18 Br6 Fe N6 Se2 -","- C48 H36 Br12 Fe2 N12 Se4 -","2","0.25","","Adams, Christopher J.; Haddow, Mairi F.; Harding, David J.; Podesta, Thomas J.; Waddington, Rachel E.","Iron(ii) thio- and selenocyanate coordination networks containing 3,3′-bipyridine","CrystEngComm","2011","13","15","4909","","10.1039/c1ce05352c","","","0.71073","MoKα","","0.0982","0.0625","","","0.158","0.1799","","","","","","1.041","","","","has coordinates,has disorder","261270","2021-01-27","16:26:18",""
"7242191","11.1974","0.0003","12.7343","0.0003","12.9086","0.0003","64.468","0.001","73.24","0.001","64.474","0.001","1486.83","0.07","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H25 N7 O6 S Zn -","- C30 H25 N7 O6 S Zn -","- C60 H50 N14 O12 S2 Zn2 -","2","1","","Yao, Shu-Li; Xiong, Yu-Chen; Tian, Xue-Mei; Liu, Sui-Jun; Xu, Hui; Zheng, Teng-Fei; Chen, Jing-Lin; Wen, He-Rui","A multifunctional benzothiadiazole-based fluorescence sensor for Al3+, Cr3+ and Fe3+","CrystEngComm","2021","23","9","1898","1905","10.1039/D1CE00060H","","","0.71073","MoKα","","0.0553","0.0405","","","0.0945","0.1034","","","","","","1.016","","","","has coordinates","263722","2021-04-05","14:34:03",""
"7242192","11.6686","0.0018","4.5292","0.0007","25.933","0.004","90","","102.908","0.005","90","","1335.9","0.4","161","2","161","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H6 F4 I N O -","- C15 H6 F4 I N O -","- C60 H24 F16 I4 N4 O4 -","4","1","","Jamadar, Akshoy; Karan, Chandan Kumar; Biswas, Subhendu; Das, Anindita","Structural influence on stimuli-responsive halogen-bonded luminescent supramolecular polymers from heteroditopic isomers","CrystEngComm","2021","23","8","1695","1699","10.1039/D1CE00101A","","","0.71073","MoKα","","0.1034","0.093","","","0.2381","0.243","","","","","","1.249","","","","has coordinates","262559","2021-03-05","01:44:02",""
"7242193","14.522","0.003","12.084","0.003","8.162","0.002","90","","90","","90","","1432.3","0.6","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C15 H6 F4 I N O -","- C15 H6 F4 I N O -","- C60 H24 F16 I4 N4 O4 -","4","1","","Jamadar, Akshoy; Karan, Chandan Kumar; Biswas, Subhendu; Das, Anindita","Structural influence on stimuli-responsive halogen-bonded luminescent supramolecular polymers from heteroditopic isomers","CrystEngComm","2021","23","8","1695","1699","10.1039/D1CE00101A","","","0.71073","MoKα","","0.0477","0.0444","","","0.108","0.1111","","","","","","1.087","","","","has coordinates","262559","2021-03-05","01:44:02",""
"7242194","14.293","0.005","7.17","0.003","23.932","0.008","90","","92.238","0.011","90","","2450.7","1.6","101","2","101","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H6 F5 N O -","- C15 H6 F5 N O -","- C120 H48 F40 N8 O8 -","8","2","","Jamadar, Akshoy; Karan, Chandan Kumar; Biswas, Subhendu; Das, Anindita","Structural influence on stimuli-responsive halogen-bonded luminescent supramolecular polymers from heteroditopic isomers","CrystEngComm","2021","23","8","1695","1699","10.1039/D1CE00101A","","","0.71073","MoKα","","0.1561","0.0845","","","0.1691","0.1946","","","","","","1.089","","","","has coordinates","262559","2021-03-05","01:44:02",""
"7242195","17.672","0.002","18.819","0.003","26.029","0.004","80.998","0.002","72.959","0.002","65.534","0.002","7527.1","1.9","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C84 H198 Mn6 N28 Na2 O276 P10 W60 -","- C84 H82 Mn6 N28 Na2 O276 P10 W60 -","- C84 H82 Mn6 N28 Na2 O276 P10 W60 -","1","0.5","","Zhu, HaoTian; Tang, WenSi; Ma, YuanYuan; Wang, YongHui; Tan, HuaQiao; Li, YangGuang","Preyssler-type polyoxometalate-based crystalline materials for the electrochemical detection of H2O2","CrystEngComm","2021","23","10","2071","2080","10.1039/D1CE00059D","","","0.71073","MoKα","","0.0749","0.0459","","","0.0918","0.1051","","","","","","1.006","","","","has coordinates,has disorder","263721","2021-04-05","14:33:36",""
"7242196","21.182","0.004","16.487","0.003","28.78","0.004","90","","130.213","0.009","90","","7675","2","296","2","296","2","","","","","","","","9","P 1 c 1","P -2yc","7","","","","- C60 H104 Cl0 Cu5 N20 Na O134 P5 W30 -","- C60 H52 Cu5 N20 Na O134 P5 W30 -","- C120 H104 Cu10 N40 Na2 O268 P10 W60 -","2","1","","Zhu, HaoTian; Tang, WenSi; Ma, YuanYuan; Wang, YongHui; Tan, HuaQiao; Li, YangGuang","Preyssler-type polyoxometalate-based crystalline materials for the electrochemical detection of H2O2","CrystEngComm","2021","23","10","2071","2080","10.1039/D1CE00059D","","","0.71073","MoKα","","0.0654","0.0552","","","0.1295","0.1353","","","","","","1.013","","","","has coordinates,has disorder","263721","2021-04-05","14:33:36",""
"7242197","29.418","0.005","21.615","0.004","25.107","0.004","90","","99.316","0.003","90","","15754","5","296","2","296","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C60 H96 N20 Na O129 P5 W30 Zn3 -","- C60 H56 N20 Na O129 P5 W30 Zn3 -","- C240 H224 N80 Na4 O516 P20 W120 Zn12 -","4","0.5","","Zhu, HaoTian; Tang, WenSi; Ma, YuanYuan; Wang, YongHui; Tan, HuaQiao; Li, YangGuang","Preyssler-type polyoxometalate-based crystalline materials for the electrochemical detection of H2O2","CrystEngComm","2021","23","10","2071","2080","10.1039/D1CE00059D","","","0.71073","MoKα","","0.0903","0.054","","","0.1081","0.1217","","","","","","1.042","","","","has coordinates,has disorder","263721","2021-04-05","14:33:36",""
"7242198","16.234","0.006","16.833","0.006","17.107","0.007","67.181","0.006","64.121","0.006","82.689","0.007","3872","3","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H88 Co2 N16 Na O129 P5 W30 -","- C48 H46 Co2 N16 Na O129 P5 W30 -","- C48 H46 Co2 N16 Na O129 P5 W30 -","1","0.5","","Zhu, HaoTian; Tang, WenSi; Ma, YuanYuan; Wang, YongHui; Tan, HuaQiao; Li, YangGuang","Preyssler-type polyoxometalate-based crystalline materials for the electrochemical detection of H2O2","CrystEngComm","2021","23","10","2071","2080","10.1039/D1CE00059D","","","0.71073","MoKα","","0.0725","0.0447","","","0.1","0.1146","","","","","","1.013","","","","has coordinates,has disorder","263721","2021-04-05","14:33:36",""
"7242199","35.3301","0.0011","10.8822","0.0003","7.5873","0.0002","90","","90","","90","","2917.08","0.14","100","","100","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C14 H16 N6 O4 -","- C14 H16 N6 O4 -","- C112 H128 N48 O32 -","8","1","","Li, Fengcai; Xu, Hao; Xu, Xinwei; Cang, Hui; Xu, Jiaying; Chen, Song","Supramolecular salts assembled by melamine and two organic hydroxyl acids: synthesis, structure, hydrogen bonds, and luminescent property","CrystEngComm","2021","23","11","2235","2248","10.1039/D0CE01647K","","","0.71073","MoKα","","0.0743","0.0467","","","0.0941","0.1078","","","","","","1.077","","","","has coordinates","263734","2021-04-05","14:36:29",""
"7242200","7.0401","0.0002","21.032","0.0008","12.0394","0.0005","90","","90.15","0.012","90","","1782.64","0.11","110","2","110","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 N7 O4 -","- C17 H21 N7 O4 -","- C68 H84 N28 O16 -","4","1","","Li, Fengcai; Xu, Hao; Xu, Xinwei; Cang, Hui; Xu, Jiaying; Chen, Song","Supramolecular salts assembled by melamine and two organic hydroxyl acids: synthesis, structure, hydrogen bonds, and luminescent property","CrystEngComm","2021","23","11","2235","2248","10.1039/D0CE01647K","","","0.71073","MoKα","","0.1197","0.0578","","","0.1155","0.1435","","","","","","1.047","","","","has coordinates,has disorder","263734","2021-04-05","14:36:29",""
"7242209","9.6704","0.0008","18.4228","0.0016","6.7919","0.0006","90","","100.184","0.002","90","","1190.95","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 N6 Nd2 O14 -","- C22 H14 N6 Nd2 O14 -","- C44 H28 N12 Nd4 O28 -","2","0.5","","Yuan, Fei; Ma, Hai-Xia; Yuan, Chun-Mei; Zhou, Chun-Sheng; Hu, Huai-Ming; Kumar, Abhinav; Muddassir, Mohd","Syntheses of a series of lanthanide metal‒organic frameworks for efficient UV-light-driven dye degradation: experiment and simulation","CrystEngComm","2021","23","12","2404","2413","10.1039/D0CE01245A","","","0.71073","MoKα","","0.0308","0.0242","","","0.056","0.0585","","","","","","1.021","","","","has coordinates","263735","2021-04-05","14:36:35",""
"7242210","9.5741","0.0008","18.3271","0.0015","6.7762","0.0006","90","","100.057","0.001","90","","1170.72","0.17","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 Eu2 N6 O14 -","- C22 H14 Eu2 N6 O14 -","- C44 H28 Eu4 N12 O28 -","2","0.5","","Yuan, Fei; Ma, Hai-Xia; Yuan, Chun-Mei; Zhou, Chun-Sheng; Hu, Huai-Ming; Kumar, Abhinav; Muddassir, Mohd","Syntheses of a series of lanthanide metal‒organic frameworks for efficient UV-light-driven dye degradation: experiment and simulation","CrystEngComm","2021","23","12","2404","2413","10.1039/D0CE01245A","","","0.71073","MoKα","","0.022","0.0203","","","0.0454","0.0461","","","","","","1.085","","","","has coordinates","263735","2021-04-05","14:36:36",""
"7242211","9.6045","0.001","18.37","0.002","6.7842","0.0007","90","","100.076","0.0018","90","","1178.5","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 N6 O14 Sm2 -","- C22 H14 N6 O14 Sm2 -","- C44 H28 N12 O28 Sm4 -","2","0.5","","Yuan, Fei; Ma, Hai-Xia; Yuan, Chun-Mei; Zhou, Chun-Sheng; Hu, Huai-Ming; Kumar, Abhinav; Muddassir, Mohd","Syntheses of a series of lanthanide metal‒organic frameworks for efficient UV-light-driven dye degradation: experiment and simulation","CrystEngComm","2021","23","12","2404","2413","10.1039/D0CE01245A","","","0.71073","MoKα","","0.0363","0.0266","","","0.0613","0.0655","","","","","","0.975","","","","has coordinates","263735","2021-04-05","14:36:36",""
"7242212","16.154","0.0015","7.1493","0.0007","23.597","0.002","90","","103.89","0.003","90","","2645.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H50 Br4 N8 O5 -","- C52.0064 H50.016 Br4 N8 O5.0016 -","- C104.013 H100.032 Br8 N16 O10.0032 -","2","0.5","","Hyodo, Tadashi; Tominaga, Masahide; Yamaguchi, Kentaro","Guest-dependent single-crystal-to-single-crystal transformations in porous adamantane-bearing macrocycles","CrystEngComm","2021","23","7","1539","1543","10.1039/D0CE01782E","","","1.54178","CuKα","","0.0489","0.0461","","","0.1361","0.1412","","","","","","1.083","","","","has coordinates,has disorder","262588","2021-03-05","01:48:57",""
"7242213","7.6814","0.0017","14.159","0.003","22.547","0.005","90","","91.184","0.006","90","","2451.7","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H50 Br4 N8 O4 -","- C56 H50 Br4 N8 O4 -","- C112 H100 Br8 N16 O8 -","2","0.5","","Hyodo, Tadashi; Tominaga, Masahide; Yamaguchi, Kentaro","Guest-dependent single-crystal-to-single-crystal transformations in porous adamantane-bearing macrocycles","CrystEngComm","2021","23","7","1539","1543","10.1039/D0CE01782E","","","1.54178","CuKα","","0.0311","0.0297","","","0.0849","0.0859","","","","","","1.013","","","","has coordinates,has disorder","262588","2021-03-05","01:48:57",""
"7242214","7.6473","0.0012","14.096","0.002","22.535","0.004","90","","91.643","0.004","90","","2428.2","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H40 Br4 N8 O4 -","- C48 H40 Br4 N8 O4 -","- C96 H80 Br8 N16 O8 -","2","0.5","","Hyodo, Tadashi; Tominaga, Masahide; Yamaguchi, Kentaro","Guest-dependent single-crystal-to-single-crystal transformations in porous adamantane-bearing macrocycles","CrystEngComm","2021","23","7","1539","1543","10.1039/D0CE01782E","","","1.54178","CuKα","","0.0475","0.041","","","0.1258","0.144","","","","","","1.284","","","","has coordinates","262588","2021-03-05","01:48:57",""
"7242215","7.6615","0.0006","14.1104","0.0011","22.4415","0.0017","90","","91.574","0.002","90","","2425.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H48 Br4 N8 O4 -","- C56 H48 Br4 N8 O4 -","- C112 H96 Br8 N16 O8 -","2","0.5","","Hyodo, Tadashi; Tominaga, Masahide; Yamaguchi, Kentaro","Guest-dependent single-crystal-to-single-crystal transformations in porous adamantane-bearing macrocycles","CrystEngComm","2021","23","7","1539","1543","10.1039/D0CE01782E","","","1.54178","CuKα","","0.0284","0.0269","","","0.0749","0.076","","","","","","1.038","","","","has coordinates,has disorder","262588","2021-03-05","01:48:57",""
"7242216","7.4001","0.0001","26.1446","0.0006","10.7253","0.0002","90","","93.977","0.001","90","","2070.06","0.07","200","0.1","200","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","o-cresol_urea","","- C8 H12 N2 O2 -","- C8 H12 N2 O2 -","- C64 H96 N16 O16 -","8","2","","Wang, Na; Wang, Jingkang; Huang, Xin; Wang, Ting; Li, Xin; Yang, Jinyue; Bao, Ying; Yin, Qiuxiang; Hao, Hongxun","A selective cocrystallization separation method based on non-covalent interactions and its application","CrystEngComm","2021","23","7","1550","1554","10.1039/D0CE01799J","","x-ray","1.54184","CuKα","","0.0754","0.0517","","","0.1457","0.1652","","","","","","1.037","","","","has coordinates","262592","2021-03-05","01:49:27",""
"7242217","17.4483","0.0006","6.0743","0.0002","7.2533","0.0002","90","","96.229","0.003","90","","764.21","0.04","160","0.1","160","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","p-cresol_oxalic acid","","- C8 H9 O3 -","- C8 H9 O3 -","- C32 H36 O12 -","4","1","","Wang, Na; Wang, Jingkang; Huang, Xin; Wang, Ting; Li, Xin; Yang, Jinyue; Bao, Ying; Yin, Qiuxiang; Hao, Hongxun","A selective cocrystallization separation method based on non-covalent interactions and its application","CrystEngComm","2021","23","7","1550","1554","10.1039/D0CE01799J","","x-ray","1.54184","CuKα","","0.0531","0.0454","","","0.0999","0.104","","","","","","1.054","","","","has coordinates,has disorder","262592","2021-03-05","01:49:27",""
"7242233","6.2882","0.0002","22.9444","0.0005","9.3448","0.0002","90","","96.832","0.002","90","","1338.68","0.06","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Di-tert-butyl 3,6-bis(4-methoxyphenyl)-1,4-dioxopyrrolo[3,4- c]pyrrole-2,5(1H,4H)-dicarboxylate","","- C30 H32 N2 O8 -","- C30 H32 N2 O8 -","- C60 H64 N4 O16 -","2","0.5","","Humphreys, Joshua; Pop, Flavia; Hume, Paul A.; Murphy, Alanna S.; Lewis, William; Davies, E. Stephen; Argent, Stephen P.; Amabilino, David B.","Solid state structure and properties of phenyl diketopyrrolopyrrole derivatives","CrystEngComm","2021","23","8","1796","1814","10.1039/D1CE00039J","","x-ray","0.6889","synchrotron","","0.0645","0.0479","","","0.1168","0.1237","","","","","","1.08","","","","has coordinates,has disorder","262555","2021-03-05","01:43:21",""
"7242234","11.49","0.0002","10.8917","0.0001","11.4382","0.0002","90","","103.253","0.001","90","","1393.32","0.04","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,5-Dihexyl-3,6-bis(4-methoxyphenyl)-2,5-dihydropyrrolo[3,4- c]pyrrole-1,4-dione","","- C32 H40 N2 O4 -","- C32 H40 N2 O4 -","- C64 H80 N4 O8 -","2","0.5","","Humphreys, Joshua; Pop, Flavia; Hume, Paul A.; Murphy, Alanna S.; Lewis, William; Davies, E. Stephen; Argent, Stephen P.; Amabilino, David B.","Solid state structure and properties of phenyl diketopyrrolopyrrole derivatives","CrystEngComm","2021","23","8","1796","1814","10.1039/D1CE00039J","","x-ray","1.54184","CuKα","","0.0358","0.0343","","","0.0899","0.0914","","","","","","1.037","","","","has coordinates","262555","2021-03-05","01:43:21",""
"7242235","11.3208","0.0002","8.58917","0.00016","13.192","0.0003","90","","108.388","0.002","90","","1217.25","0.04","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3,6-Bis(4-hydroxyphenyl)-2,5-bis((S)-2-methylbutyl)-2,5- dihydropyrrolo[3,4-c]pyrrole-1,4-dione","","- C28 H32 N2 O4 -","- C28 H32 N2 O4 -","- C56 H64 N4 O8 -","2","1","","Humphreys, Joshua; Pop, Flavia; Hume, Paul A.; Murphy, Alanna S.; Lewis, William; Davies, E. Stephen; Argent, Stephen P.; Amabilino, David B.","Solid state structure and properties of phenyl diketopyrrolopyrrole derivatives","CrystEngComm","2021","23","8","1796","1814","10.1039/D1CE00039J","","x-ray","1.54184","CuKα","","0.0452","0.0395","","","0.0997","0.1042","","","","","","1.06","","","","has coordinates","262555","2021-03-05","01:43:21",""
"7242236","12.4391","0.0017","15.1213","0.0015","9.5874","0.0008","90","","96.47","0.01","90","","1791.9","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,5-Dihexyl-3,6-bis(4-((tetrahydro-2H-pyran-2-yl)oxy)phenyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione","","- C40 H52 N2 O6 -","- C40 H52 N2 O6 -","- C80 H104 N4 O12 -","2","0.5","","Humphreys, Joshua; Pop, Flavia; Hume, Paul A.; Murphy, Alanna S.; Lewis, William; Davies, E. Stephen; Argent, Stephen P.; Amabilino, David B.","Solid state structure and properties of phenyl diketopyrrolopyrrole derivatives","CrystEngComm","2021","23","8","1796","1814","10.1039/D1CE00039J","","x-ray","1.54184","CuKα","","0.1027","0.085","","","0.2398","0.2621","","","","","","1.069","","","","has coordinates,has disorder","262555","2021-03-05","01:43:21",""
"7242237","16.4073","0.0009","10.3312","0.0004","21.7327","0.001","90","","91.113","0.005","90","","3683.2","0.3","120","2","120","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","Di-tert-butyl 3,6-bis(4-((tert-butoxycarbonyl)oxy)phenyl)-1,4-dioxopyrrolo[3,4-c]pyrrole-2,5(1H,4H)-dicarboxylate","","- C38 H44 N2 O12 -","- C38 H44 N2 O12 -","- C152 H176 N8 O48 -","4","0.5","","Humphreys, Joshua; Pop, Flavia; Hume, Paul A.; Murphy, Alanna S.; Lewis, William; Davies, E. Stephen; Argent, Stephen P.; Amabilino, David B.","Solid state structure and properties of phenyl diketopyrrolopyrrole derivatives","CrystEngComm","2021","23","8","1796","1814","10.1039/D1CE00039J","","x-ray","1.54184","CuKα","","0.053","0.0452","","","0.1122","0.1184","","","","","","1.031","","","","has coordinates","262555","2021-03-05","01:43:21",""
"7242238","5.2797","0.0014","7.831","0.002","16.028","0.003","76.61","0.02","85.29","0.02","76.64","0.02","626.9","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","2,5-Dihexyl-3,6-bis(4-hydroxyphenyl)-2,5-dihydropyrrolo[3,4- c]pyrrole-1,4-dione","","- C30 H36 N2 O4 -","- C30 H36 N2 O4 -","- C30 H36 N2 O4 -","1","0.5","","Humphreys, Joshua; Pop, Flavia; Hume, Paul A.; Murphy, Alanna S.; Lewis, William; Davies, E. Stephen; Argent, Stephen P.; Amabilino, David B.","Solid state structure and properties of phenyl diketopyrrolopyrrole derivatives","CrystEngComm","2021","23","8","1796","1814","10.1039/D1CE00039J","","x-ray","1.54184","CuKα","","0.1663","0.088","","","0.1686","0.2184","","","","","","0.983","","","","has coordinates","262555","2021-03-05","01:43:21",""
"7242239","11.036","0.0008","11.6239","0.0006","11.4808","0.001","90","","118.259","0.011","90","","1297.2","0.2","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3,6-Bis(4-methoxyphenyl)-2,5-bis((S)-2-methylbutyl)-2,5- dihydropyrrolo[3,4-c]pyrrole-1,4-dione","","- C30 H36 N2 O4 -","- C30 H36 N2 O4 -","- C60 H72 N4 O8 -","2","1","","Humphreys, Joshua; Pop, Flavia; Hume, Paul A.; Murphy, Alanna S.; Lewis, William; Davies, E. Stephen; Argent, Stephen P.; Amabilino, David B.","Solid state structure and properties of phenyl diketopyrrolopyrrole derivatives","CrystEngComm","2021","23","8","1796","1814","10.1039/D1CE00039J","","x-ray","1.54184","CuKα","","0.0541","0.0525","","","0.1382","0.1411","","","","","","1.044","","","","has coordinates","262555","2021-03-05","01:43:21",""
"7242240","12.428","0.003","13.933","0.003","18.288","0.004","90","","90","","90","","3166.7","1.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H50 Ca N2 O15 -","- C22 H50 Ca N2 O15 -","- C88 H200 Ca4 N8 O60 -","4","1","","Han, Dandan; Du, Shichao; Wu, Songgu; Ouyang, Ruiling; Gong, Junbo","Optimizing the morphology of calcium d-pantothenate by controlling phase transformation processes","CrystEngComm","2021","23","10","2162","2173","10.1039/D0CE01803A","","","0.71073","MoKα","","0.1205","0.0777","","","0.1636","0.1847","","","","","","1.031","","","","has coordinates","263718","2021-04-05","14:32:58",""
"7242241","13.1851","0.0003","11.0699","0.0003","8.081","0.0002","90","","102.35","0.0011","90","","1152.19","0.05","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 Ag Cl2 N3 O4 -","- C8 H6 Ag Cl2 N3 O4 -","- C32 H24 Ag4 Cl8 N12 O16 -","4","1","","Cheng, Fu-Hung; Liu, Yu-Hsiang; Lee, Wei-Te; Hu, Ji-Hong; Hu, Hui-Ling; Mahat Chhetri, Pradhumna; Chen, Jhy-Der","Silver(i) coordination polymers based on halogenated cyanoformamidine: roles of oxyanions and halogen atoms in the structural diversity","CrystEngComm","2021","23","9","1961","1968","10.1039/D1CE00025J","","","0.71073","MoKα","","0.0608","0.0372","","","0.076","0.0838","","","","","","1.057","","","","has coordinates,has disorder","263729","2021-04-05","14:35:09",""
"7242242","3.804","0.0012","7.186","0.002","20.386","0.006","97.28","0.02","93.93","0.02","98.52","0.02","544.5","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H6 Ag Br N4 O3 -","- C8 H6 Ag Br N4 O3 -","- C16 H12 Ag2 Br2 N8 O6 -","2","1","","Cheng, Fu-Hung; Liu, Yu-Hsiang; Lee, Wei-Te; Hu, Ji-Hong; Hu, Hui-Ling; Mahat Chhetri, Pradhumna; Chen, Jhy-Der","Silver(i) coordination polymers based on halogenated cyanoformamidine: roles of oxyanions and halogen atoms in the structural diversity","CrystEngComm","2021","23","9","1961","1968","10.1039/D1CE00025J","","","0.71073","MoKα","","0.1532","0.0556","","","0.0747","0.094","","","","","","1","","","","has coordinates","263729","2021-04-05","14:35:09",""
"7242243","3.7261","0.0002","7.1007","0.0004","19.4928","0.0011","97.342","0.003","94.485","0.003","98.505","0.003","503.4","0.05","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H6 Ag F N4 O3 -","- C8 H6 Ag F N4 O3 -","- C16 H12 Ag2 F2 N8 O6 -","2","1","","Cheng, Fu-Hung; Liu, Yu-Hsiang; Lee, Wei-Te; Hu, Ji-Hong; Hu, Hui-Ling; Mahat Chhetri, Pradhumna; Chen, Jhy-Der","Silver(i) coordination polymers based on halogenated cyanoformamidine: roles of oxyanions and halogen atoms in the structural diversity","CrystEngComm","2021","23","9","1961","1968","10.1039/D1CE00025J","","","0.71073","MoKα","","0.0487","0.0383","","","0.0979","0.1038","","","","","","1.071","","","","has coordinates","263729","2021-04-05","14:35:09",""
"7242244","8.0342","0.0006","21.6112","0.0015","12.453","0.0009","90","","90.03","","90","","2162.2","0.3","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 Ag Cl I2 N6 O4 -","- C16 H12 Ag Cl I2 N6 O4 -","- C64 H48 Ag4 Cl4 I8 N24 O16 -","4","1","","Cheng, Fu-Hung; Liu, Yu-Hsiang; Lee, Wei-Te; Hu, Ji-Hong; Hu, Hui-Ling; Mahat Chhetri, Pradhumna; Chen, Jhy-Der","Silver(i) coordination polymers based on halogenated cyanoformamidine: roles of oxyanions and halogen atoms in the structural diversity","CrystEngComm","2021","23","9","1961","1968","10.1039/D1CE00025J","","","0.71073","MoKα","","0.0624","0.0393","","","0.0783","0.0821","","","","","","1.007","","","","has coordinates","263729","2021-04-05","14:35:09",""
"7242245","9.3818","0.0002","7.9318","0.0001","33.2918","0.0006","90","","90","","90","","2477.39","0.08","277","2","277","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C8 H6 Ag Br Cl N3 O4 -","- C8 H6 Ag Br Cl N3 O4 -","- C64 H48 Ag8 Br8 Cl8 N24 O32 -","8","1","","Cheng, Fu-Hung; Liu, Yu-Hsiang; Lee, Wei-Te; Hu, Ji-Hong; Hu, Hui-Ling; Mahat Chhetri, Pradhumna; Chen, Jhy-Der","Silver(i) coordination polymers based on halogenated cyanoformamidine: roles of oxyanions and halogen atoms in the structural diversity","CrystEngComm","2021","23","9","1961","1968","10.1039/D1CE00025J","","","0.71073","MoKα","","0.0403","0.034","","","0.0829","0.0871","","","","","","1.031","","","","has coordinates","263729","2021-04-05","14:35:09",""
"7242246","3.7598","0.0005","7.1464","0.001","20.287","0.003","97.388","0.003","94.146","0.003","98.6","0.002","532.16","0.13","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H6 Ag Cl N4 O3 -","- C8 H6 Ag Cl N4 O3 -","- C16 H12 Ag2 Cl2 N8 O6 -","2","1","","Cheng, Fu-Hung; Liu, Yu-Hsiang; Lee, Wei-Te; Hu, Ji-Hong; Hu, Hui-Ling; Mahat Chhetri, Pradhumna; Chen, Jhy-Der","Silver(i) coordination polymers based on halogenated cyanoformamidine: roles of oxyanions and halogen atoms in the structural diversity","CrystEngComm","2021","23","9","1961","1968","10.1039/D1CE00025J","","","0.71073","MoKα","","0.0717","0.0573","","","0.1447","0.1554","","","","","","1.068","","","","has coordinates","263729","2021-04-05","14:35:09",""
"7242247","13.157","0.009","11.92","0.008","19.644","0.013","90","","108.564","0.018","90","","2920","3","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H40 N4 O6 Zn2 -","- C26 H40 N4 O6 Zn2 -","- C104 H160 N16 O24 Zn8 -","4","0.5","","Karmakar, Mainak; Frontera, Antonio; Chattopadhyay, Shouvik","Insight into the formation of H-bonds propagating the monomeric zinc complexes of a tridentate reduced Schiff base to form an infinite chain","CrystEngComm","2021","23","9","1918","1928","10.1039/D0CE01840F","","","0.71073","MoKα","","0.1389","0.0884","","","0.2427","0.2866","","","","","","0.989","","","","has coordinates","263726","2021-04-05","14:34:42",""
"7242248","8.3694","0.0013","11.2558","0.0018","15.878","0.003","104.975","0.004","101.287","0.004","97.972","0.004","1388.5","0.4","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H34 N10 O2 Zn2 -","- C22 H34 N10 O2 Zn2 -","- C44 H68 N20 O4 Zn4 -","2","1","","Karmakar, Mainak; Frontera, Antonio; Chattopadhyay, Shouvik","Insight into the formation of H-bonds propagating the monomeric zinc complexes of a tridentate reduced Schiff base to form an infinite chain","CrystEngComm","2021","23","9","1918","1928","10.1039/D0CE01840F","","","0.71073","MoKα","","0.0812","0.051","","","0.1327","0.1628","","","","","","1.055","","","","has coordinates","263726","2021-04-05","14:34:42",""
"7242250","10.1788","0.0003","10.1788","0.0003","6.0633","0.0002","90","","90","","120","","544.04","0.03","300","2","300","2","","","","","","","","5","P 63","P 6c","173","","","","- Cd0.19 Cl0.61 Ga0.5 La1.5 S2.89 -","- Cd0.1865 Cl0.5175 Ga0.5002 La1.5 S2.9825 -","- Cd0.746 Cl2.07 Ga2.0008 La6 S11.93 -","4","0.666667","","Lin, Feng; Luo, Mengjia; Wang, Ruiqi; Che, Xiangli; Huang, Fuqiang","La6Cd0.75Ga2Q11.5Cl2.5 (Q = S and Se): two new nonlinear optical chalcohalides with a large laser-induced damage threshold","CrystEngComm","2021","23","10","2133","2137","10.1039/D0CE01852J","","","0.71073","MoKα","","0.0182","0.0165","","","0.0348","0.0352","","","","","","1.122","","","","has coordinates,has disorder","265937","2021-06-05","18:06:28",""
"7242261","23.723","0.002","18.8503","0.0019","15.0119","0.0013","90","","102.003","0.004","90","","6566.3","1","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H24 N4.5 O12 Zn2 -","- C34 H24 N4.5 O12 Zn2 -","- C272 H192 N36 O96 Zn16 -","8","1","","Chuang, Po-Min; Huang, Yun-Wen; Liu, Yu-Lin; Wu, Jing-Yun","The influence of linker substitution on the fluorescence responsive sensing of isostructural coordination polymers: visual turn-on, ratiometric, and turn-off sensing in water","CrystEngComm","2021","23","11","2222","2234","10.1039/D0CE01825B","","","0.71073","MoKα","","0.0791","0.0565","","","0.1383","0.1554","","","","","","1.075","","","","has coordinates,has disorder","263732","2021-04-05","14:35:47",""
"7242262","24.717","0.003","19.189","0.003","15.197","0.002","90","","105.906","0.006","90","","6931.9","1.7","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37 H27.5 N4.5 O10.5 Zn2 -","- C37 H26.5 N4.5 O10.5 Zn2 -","- C296 H212 N36 O84 Zn16 -","8","1","","Chuang, Po-Min; Huang, Yun-Wen; Liu, Yu-Lin; Wu, Jing-Yun","The influence of linker substitution on the fluorescence responsive sensing of isostructural coordination polymers: visual turn-on, ratiometric, and turn-off sensing in water","CrystEngComm","2021","23","11","2222","2234","10.1039/D0CE01825B","","","0.71073","MoKα","","0.1351","0.0826","","","0.185","0.2313","","","","","","1.133","","","","has coordinates,has disorder","263732","2021-04-05","14:35:57",""
"7242263","24.379","0.002","18.81","0.002","15.0638","0.0013","90","","104.484","0.004","90","","6688.2","1.1","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H22.5 Br1.5 N3 O8 Zn2 -","- C34 H20.5 Br1.5 N3 O8 Zn2 -","- C272 H164 Br12 N24 O64 Zn16 -","8","1","","Chuang, Po-Min; Huang, Yun-Wen; Liu, Yu-Lin; Wu, Jing-Yun","The influence of linker substitution on the fluorescence responsive sensing of isostructural coordination polymers: visual turn-on, ratiometric, and turn-off sensing in water","CrystEngComm","2021","23","11","2222","2234","10.1039/D0CE01825B","","","0.71073","MoKα","","0.1176","0.077","","","0.1804","0.2069","","","","","","1.119","","","","has coordinates,has disorder","263732","2021-04-05","14:35:59",""
"7242264","24.8175","0.0017","19.1673","0.0017","15.1781","0.0011","90","","106.266","0.004","90","","6931","0.9","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C37 H27.5 Br1.5 N3 O7.5 Zn2 -","- C37 H26.5 Br1.5 N3 O7.5 Zn2 -","- C296 H212 Br12 N24 O60 Zn16 -","8","1","","Chuang, Po-Min; Huang, Yun-Wen; Liu, Yu-Lin; Wu, Jing-Yun","The influence of linker substitution on the fluorescence responsive sensing of isostructural coordination polymers: visual turn-on, ratiometric, and turn-off sensing in water","CrystEngComm","2021","23","11","2222","2234","10.1039/D0CE01825B","","","0.71073","MoKα","","0.089","0.0719","","","0.1665","0.1826","","","","","","1.067","","","","has coordinates,has disorder","263732","2021-04-05","14:36:08",""
"7242268","14.0266","0.001","24.0079","0.0016","16.5999","0.0012","90","","100.791","0.002","90","","5491.2","0.7","296","2","296.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C64 H64 Cu4 Ge N16 O40 S16 W12 -","- C64 H64 Cu4 Ge N16 O40 S16 W12 -","- C128 H128 Cu8 Ge2 N32 O80 S32 W24 -","2","0.5","","Wang, Chen; Ying, Jun; Zhang, Xin-yue; Zhang, Bao-yue; Tian, Ai-xiang; Wang, Xiu-li","Multifunctional photoelectric sensors and catalysts for CO2RR and Cr(vi) solution based on a series of POM-based materials","CrystEngComm","2021","23","12","2424","2431","10.1039/D0CE01811B","","","0.71073","MoKα","","0.1851","0.0695","","","0.1238","0.161","","","","","","1.003","","","","has coordinates,has disorder","263738","2021-04-05","14:37:38",""
"7242269","12.374","0.003","15.539","0.004","19.761","0.005","86.897","0.005","87.383","0.005","69.637","0.005","3555.5","1.6","273","2","273.15","","","","","","","","","8","P -1","-P 1","2","","","","- C64 H76 Co4 Ge2 N16 O86 S16 W24 -","- C64 H76 Co4 Ge2 N16 O86 S16 W24 -","- C64 H76 Co4 Ge2 N16 O86 S16 W24 -","1","0.5","","Wang, Chen; Ying, Jun; Zhang, Xin-yue; Zhang, Bao-yue; Tian, Ai-xiang; Wang, Xiu-li","Multifunctional photoelectric sensors and catalysts for CO2RR and Cr(vi) solution based on a series of POM-based materials","CrystEngComm","2021","23","12","2424","2431","10.1039/D0CE01811B","","","0.71073","MoKα","","0.0942","0.0498","","","0.0926","0.1084","","","","","","0.958","","","","has coordinates,has disorder","263738","2021-04-05","14:37:38",""
"7242270","12.315","0.003","15.474","0.004","19.504","0.005","86.664","0.005","87.32","0.005","69.631","0.005","3477","1.5","273","2","273.15","","","","","","","","","8","P -1","-P 1","2","","","","- C64 H76 Ge2 N16 Ni4 O86 S16 W24 -","- C64 H76 Ge2 N16 Ni4 O86 S16 W24 -","- C64 H76 Ge2 N16 Ni4 O86 S16 W24 -","1","0.5","","Wang, Chen; Ying, Jun; Zhang, Xin-yue; Zhang, Bao-yue; Tian, Ai-xiang; Wang, Xiu-li","Multifunctional photoelectric sensors and catalysts for CO2RR and Cr(vi) solution based on a series of POM-based materials","CrystEngComm","2021","23","12","2424","2431","10.1039/D0CE01811B","","","0.71073","MoKα","","0.1395","0.0565","","","0.1007","0.1282","","","","","","0.968","","","","has coordinates,has disorder","263738","2021-04-05","14:37:38",""
"7242271","24.4397","0.0007","14.9911","0.0007","23.8988","0.0009","90","","116.637","0.001","90","","7826.7","0.5","296.15","","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C44 H68 B Cu2 N16 O43 W12 -","- C44 H68 B Cu2 N16 O43 W12 -","- C176 H272 B4 Cu8 N64 O172 W48 -","4","0.5","","Wang, Chen; Ying, Jun; Zhang, Xin-yue; Zhang, Bao-yue; Tian, Ai-xiang; Wang, Xiu-li","Multifunctional photoelectric sensors and catalysts for CO2RR and Cr(vi) solution based on a series of POM-based materials","CrystEngComm","2021","23","12","2424","2431","10.1039/D0CE01811B","","","0.71073","MoKα","","0.0354","0.0257","","","0.0508","0.0534","","","","","","1.03","","","","has coordinates","263738","2021-04-05","14:37:38",""
"7242272","12.3151","0.0019","15.487","0.002","19.695","0.003","86.76","0.004","87.368","0.004","69.774","0.003","3517.7","0.9","296","2","296.15","","","","","","","","","8","P -1","-P 1","2","","","","- C64 H68 Co4 N16 O82 S16 Si2 W24 -","- C64 H68 Co4 N16 O82 S16 Si2 W24 -","- C64 H68 Co4 N16 O82 S16 Si2 W24 -","1","0.5","","Wang, Chen; Ying, Jun; Zhang, Xin-yue; Zhang, Bao-yue; Tian, Ai-xiang; Wang, Xiu-li","Multifunctional photoelectric sensors and catalysts for CO2RR and Cr(vi) solution based on a series of POM-based materials","CrystEngComm","2021","23","12","2424","2431","10.1039/D0CE01811B","","","0.71073","MoKα","","0.1893","0.0707","","","0.1381","0.1806","","","","","","0.924","","","","has coordinates,has disorder","263738","2021-04-05","14:37:38",""
"7242273","8.0137","0.0009","11.6967","0.0013","13.9362","0.0015","72.124","0.001","81.673","0.001","78.364","0.001","1212.9","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","br-kz-br","","- C28 H21 Br2 N3 -","- C28 H21 Br2 N3 -","- C56 H42 Br4 N6 -","2","1","","Chen, Pengfei; Yin, Yuanye; Ni, Yingyong; Zhu, Huichao; Huang, Jianyan; Yang, Jiaxiang; Yang, Jianjun; Kong, Lin","Molecular engineering of carbazole‒acrylonitrile fluorophores: substituent-dependent optical properties and mechanochromism","CrystEngComm","2021","23","11","2289","2296","10.1039/D1CE00012H","","","0.71073","MoKα","","0.0462","0.0347","","","0.0873","0.0932","","","","","","1.049","","","","has coordinates","263733","2021-04-05","14:36:22",""
"7242274","7.3087","0.0004","11.598","0.0007","14.7149","0.0008","98.253","0.005","93.797","0.005","100.037","0.005","1210.18","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H40 Br6 N6 -","- C56 H40 Br6 N6 -","- C56 H40 Br6 N6 -","1","0.5","","Chen, Pengfei; Yin, Yuanye; Ni, Yingyong; Zhu, Huichao; Huang, Jianyan; Yang, Jiaxiang; Yang, Jianjun; Kong, Lin","Molecular engineering of carbazole‒acrylonitrile fluorophores: substituent-dependent optical properties and mechanochromism","CrystEngComm","2021","23","11","2289","2296","10.1039/D1CE00012H","","","1.54186","CuKα","","0.0481","0.0361","","","0.0887","0.094","","","","","","0.946","","","","has coordinates","263733","2021-04-05","14:36:22",""
"7242275","17.509","0.009","12.679","0.007","12.592","0.007","90","","105.956","0.007","90","","2688","3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","zhu06","brkznbr2","","- C30 H27 Br N4 -","- C30 H27 Br N4 -","- C120 H108 Br4 N16 -","4","1","","Chen, Pengfei; Yin, Yuanye; Ni, Yingyong; Zhu, Huichao; Huang, Jianyan; Yang, Jiaxiang; Yang, Jianjun; Kong, Lin","Molecular engineering of carbazole‒acrylonitrile fluorophores: substituent-dependent optical properties and mechanochromism","CrystEngComm","2021","23","11","2289","2296","10.1039/D1CE00012H","","","0.71073","MoKα","","0.0933","0.0701","","","0.2071","0.2285","","","","","","1.039","","","","has coordinates","263733","2021-04-05","14:36:22",""
"7242276","17.292","0.004","13.172","0.003","12.572","0.003","90","","106.655","0.002","90","","2743.4","1.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 Br2 N4 -","- C30 H26 Br2 N4 -","- C120 H104 Br8 N16 -","4","1","","Chen, Pengfei; Yin, Yuanye; Ni, Yingyong; Zhu, Huichao; Huang, Jianyan; Yang, Jiaxiang; Yang, Jianjun; Kong, Lin","Molecular engineering of carbazole‒acrylonitrile fluorophores: substituent-dependent optical properties and mechanochromism","CrystEngComm","2021","23","11","2289","2296","10.1039/D1CE00012H","","","0.71073","MoKα","","0.0861","0.0573","","","0.1714","0.1866","","","","","","1.104","","","","has coordinates","263733","2021-04-05","14:36:22",""
"7242277","14.9068","0.0015","13.0177","0.0013","12.5244","0.0013","90","","108.611","0.001","90","","2303.3","0.4","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","kzben","kzben","","- C28 H23 N3 -","- C28 H23 N3 -","- C112 H92 N12 -","4","1","","Chen, Pengfei; Yin, Yuanye; Ni, Yingyong; Zhu, Huichao; Huang, Jianyan; Yang, Jiaxiang; Yang, Jianjun; Kong, Lin","Molecular engineering of carbazole‒acrylonitrile fluorophores: substituent-dependent optical properties and mechanochromism","CrystEngComm","2021","23","11","2289","2296","10.1039/D1CE00012H","","","0.71073","MoKα","","0.0588","0.047","","","0.1352","0.1497","","","","","","1.041","","","","has coordinates","263733","2021-04-05","14:36:22",""
"7242278","7.3602","0.0003","10.9308","0.0003","20.5402","0.0008","90","","97.231","0.003","90","","1639.38","0.1","150","2","150","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 Cl Fe Hg N O S2 -","- C14 H16 Cl Fe Hg N O S2 -","- C56 H64 Cl4 Fe4 Hg4 N4 O4 S8 -","4","1","","Singh, Amita; Singh, Ayushi; Singh, Suryabhan; Kociok-Köhn, Gabriele; Muddassir, Mohd.; Kumar, Abhinav","Ferrocene decorated unusual mercury(ii) dithiocarbamate coordination polymers: crystallographic and computational studies","CrystEngComm","2021","23","12","2414","2423","10.1039/D0CE01867H","","x-ray","0.71073","MoKα","","0.0408","0.0318","","","0.0546","0.0571","","","","","","1.051","","","","has coordinates","263736","2021-04-05","14:36:43",""
"7242279","11.8081","0.0002","7.406","0.0001","19.7888","0.0003","90","","97.731","0.002","90","","1714.82","0.05","150","2","150","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 Fe Hg I N O S2 -","- C14 H16 Fe Hg I N O S2 -","- C56 H64 Fe4 Hg4 I4 N4 O4 S8 -","4","1","","Singh, Amita; Singh, Ayushi; Singh, Suryabhan; Kociok-Köhn, Gabriele; Muddassir, Mohd.; Kumar, Abhinav","Ferrocene decorated unusual mercury(ii) dithiocarbamate coordination polymers: crystallographic and computational studies","CrystEngComm","2021","23","12","2414","2423","10.1039/D0CE01867H","","x-ray","1.54184","CuKα","","0.0504","0.0471","","","0.1349","0.1378","","","","","","1.031","","","","has coordinates,has disorder","263736","2021-04-05","14:36:44",""
"7242280","7.4965","0.0003","10.9988","0.0004","20.2524","0.0008","90","","90","","90","","1669.86","0.11","150","2","150","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C14 H16 Br Fe Hg N O S2 -","- C14 H16 Br Fe Hg N O S2 -","- C56 H64 Br4 Fe4 Hg4 N4 O4 S8 -","4","1","","Singh, Amita; Singh, Ayushi; Singh, Suryabhan; Kociok-Köhn, Gabriele; Muddassir, Mohd.; Kumar, Abhinav","Ferrocene decorated unusual mercury(ii) dithiocarbamate coordination polymers: crystallographic and computational studies","CrystEngComm","2021","23","12","2414","2423","10.1039/D0CE01867H","","x-ray","0.71073","MoKα","","0.0287","0.0259","","","0.0527","0.0537","","","","","","1.069","","","","has coordinates","263736","2021-04-05","14:36:44",""
"7242281","10.9041","0.0005","12.2722","0.0005","13.4566","0.0005","69.298","0.004","78.815","0.004","88.35","0.004","1650.91","0.13","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H35 N5 O14 -","- C31 H35 N5 O14 -","- C62 H70 N10 O28 -","2","1","","Yu, Hongmei; Zhang, Yong; Zhang, Baoxi; Wang, Ying; Zhang, Li; Zhang, Hailu; Gong, Ningbo; Lu, Yang; Du, Guanhua","Salt or/and cocrystal? The case of the antidepressant drug venlafaxine","CrystEngComm","2021","23","14","2665","2672","10.1039/D0CE01851A","","","1.54184","CuKα","","0.0582","0.0479","","","0.1289","0.1402","","","","","","1.018","","","","has coordinates,has disorder","265973","2021-06-05","18:13:55",""
"7242282","8.3259","0.0002","12.0387","0.0003","12.3941","0.0003","83.826","0.002","85.681","0.002","83.373","0.002","1224.35","0.05","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H31 N3 O8 -","- C24 H31 N3 O8 -","- C48 H62 N6 O16 -","2","1","","Yu, Hongmei; Zhang, Yong; Zhang, Baoxi; Wang, Ying; Zhang, Li; Zhang, Hailu; Gong, Ningbo; Lu, Yang; Du, Guanhua","Salt or/and cocrystal? The case of the antidepressant drug venlafaxine","CrystEngComm","2021","23","14","2665","2672","10.1039/D0CE01851A","","","1.54184","CuKα","","0.0527","0.0427","","","0.1076","0.1169","","","","","","1.027","","","","has coordinates","265973","2021-06-05","18:13:56",""
"7242296","22.2701","0.0006","22.2701","0.0006","13.1106","0.0004","90","","90","","120","","5631.2","0.3","293","2","293","2","","","","","","","","6","P -3","-P 3","147","","","","- C27 H14 N6 O11 S Zn3 -","- C27 H14 N6 O11 S Zn3 -","- C162 H84 N36 O66 S6 Zn18 -","6","1","","Li, Le-Qian; Yao, Shu-Li; Tian, Xue-Mei; Zheng, Teng-Fei; Li, Jin-Yan; Liu, Sui-Jun; Chen, Jing-Lin; Yu, Mei-Hui; Wen, He-Rui","A fluorescence red-shift and turn-on sensor for acetylacetone derived from ZnII-based metal‒organic framework with new topology","CrystEngComm","2021","23","13","2532","2537","10.1039/D1CE00127B","","","0.71073","MoKα","","0.0807","0.0766","","","0.2091","0.2146","","","","","","1.033","","","","has coordinates","265969","2021-06-05","18:13:00",""
"7242306","36.4661","0.0005","36.4661","0.0005","36.4661","0.0005","90","","90","","90","","48491.8","1.2","293","","293","","","","","","","","","3","F d -3 c :2","-F 4ud 2vw 3","228","BHDB","5,5?-bis(4-hydroxyphenyl)-2,2?-dihydroxy-1,1?-biphenyl","","- C24 H18 O4 -","- C24 H18 O4 -","- C2304 H1728 O384 -","96","0.5","","Dyk, Konrad; Baran, Łukasz; Rżysko, Wojciech; Stankevič, Marek; Kamiński, Daniel M.","Interplay between the crystal stability and the energy of the molecular conformation","CrystEngComm","2021","23","14","2683","2694","10.1039/D0CE01673J","","x-ray","1.54184","CuKα","","0.0634","0.0537","","","0.1678","0.1811","","","","","","1.072","","","","has coordinates","265972","2021-06-05","18:13:46",""
"7242307","20.3993","0.0004","8.82171","0.00015","9.7628","0.00017","90","","95.1304","0.0017","90","","1749.84","0.05","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","DHBD","5,5?-bis(4-hydroxyphenyl)-2,2?-dihydroxy-1,1?-biphenyl","","- C24 H18 O4 -","- C24 H18 O4 -","- C96 H72 O16 -","4","0.5","","Dyk, Konrad; Baran, Łukasz; Rżysko, Wojciech; Stankevič, Marek; Kamiński, Daniel M.","Interplay between the crystal stability and the energy of the molecular conformation","CrystEngComm","2021","23","14","2683","2694","10.1039/D0CE01673J","","x-ray","1.54184","CuKα","","0.0407","0.0392","","","0.1076","0.1093","","","","","","1.078","","","","has coordinates","265972","2021-06-05","18:13:46",""
"7242308","20.3982","0.0004","8.72673","0.0002","9.6682","0.0002","90","","95.154","0.002","90","","1714.07","0.06","120.1","0.1","120.1","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","DHBD","5,5?-bis(4-hydroxyphenyl)-2,2?-dihydroxy-1,1?-biphenyl","","- C24 H18 O4 -","- C24 H18 O4 -","- C96 H72 O16 -","4","0.5","","Dyk, Konrad; Baran, Łukasz; Rżysko, Wojciech; Stankevič, Marek; Kamiński, Daniel M.","Interplay between the crystal stability and the energy of the molecular conformation","CrystEngComm","2021","23","14","2683","2694","10.1039/D0CE01673J","","x-ray","1.54184","CuKα","","0.0375","0.0354","","","0.0952","0.0975","","","","","","1.063","","","","has coordinates","265972","2021-06-05","18:13:46",""
"7242309","10.4718","0.0006","10.6341","0.0005","11.1086","0.0006","80.52","0.004","82.65","0.005","83.754","0.005","1205.24","0.11","293","","293","","","","","","","","","3","P 1","P 1","1","BHDB","5,5?-bis(4-hydroxyphenyl)-2,2?-dihydroxy-1,1?-biphenyl","","- C27 H26.5 O6.25 -","- C27 H26.5 O6.25 -","- C54 H53 O12.5 -","2","2","","Dyk, Konrad; Baran, Łukasz; Rżysko, Wojciech; Stankevič, Marek; Kamiński, Daniel M.","Interplay between the crystal stability and the energy of the molecular conformation","CrystEngComm","2021","23","14","2683","2694","10.1039/D0CE01673J","","x-ray","1.54184","CuKα","","0.0994","0.0802","","","0.2037","0.2485","","","","","","1.075","","","","has coordinates","265972","2021-06-05","18:13:46",""
"7242310","17.71","0.001","10.746","0.0006","14.6712","0.0009","90","","106.321","0.006","90","","2679.6","0.3","114.6","0.4","114.6","0.4","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C12 H8 Mn N6 O5 -","- C12 H8 Mn N6 O5 -","- C96 H64 Mn8 N48 O40 -","8","1","","Ma, Zhi Long; Wang, Meng Chen; Shi, Jian Yun; Tian, Li","Three Mn(ii) metal‒organic frameworks with the same chemical composition, but different topological structures and properties","CrystEngComm","2021","23","12","2396","2403","10.1039/D1CE00064K","","x-ray","0.71073","MoKα","","0.0423","0.0307","","","0.0734","0.0775","","","","","","1.063","","","","has coordinates","263739","2021-04-05","14:37:51",""
"7242311","8.7592","0.0007","9.3448","0.0006","9.8941","0.0007","110.237","0.006","110.252","0.007","103.825","0.006","651.02","0.11","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C12 H8 Mn N6 O5 -","- C12 H8 Mn N6 O5 -","- C24 H16 Mn2 N12 O10 -","2","1","","Ma, Zhi Long; Wang, Meng Chen; Shi, Jian Yun; Tian, Li","Three Mn(ii) metal‒organic frameworks with the same chemical composition, but different topological structures and properties","CrystEngComm","2021","23","12","2396","2403","10.1039/D1CE00064K","","x-ray","0.71073","MoKα","","0.0355","0.029","","","0.0676","0.0696","","","","","","1.071","","","","has coordinates","263739","2021-04-05","14:37:51",""
"7242312","21.4986","0.001","7.1737","0.0003","17.4036","0.0008","90","","93.698","0.004","90","","2678.5","0.2","140","0.7","140","0.7","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 Mn N6 O5 -","- C12 H8 Mn N6 O5 -","- C96 H64 Mn8 N48 O40 -","8","1","","Ma, Zhi Long; Wang, Meng Chen; Shi, Jian Yun; Tian, Li","Three Mn(ii) metal‒organic frameworks with the same chemical composition, but different topological structures and properties","CrystEngComm","2021","23","12","2396","2403","10.1039/D1CE00064K","","x-ray","0.71073","MoKα","","0.0317","0.0262","","","0.0657","0.0686","","","","","","1.03","","","","has coordinates","263739","2021-04-05","14:37:51",""
"7242313","6.3079","0.0013","10.573","0.002","11.415","0.002","67.21","0.03","78.84","0.03","76.16","0.03","677.2","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H16 N2 O3 -","- C15 H16 N2 O3 -","- C30 H32 N4 O6 -","2","1","","Gak Simić, Kristina; Đorđević, Ivana; Lazić, Anita; Radovanović, Lidija; Petković-Benazzouz, Marija; Rogan, Jelena; Trišović, Nemanja; Janjić, Goran","On the supramolecular outcomes of fluorination of cyclohexane-5-spirohydantoin derivatives","CrystEngComm","2021","23","13","2606","2622","10.1039/D0CE01841D","","","0.71073","MoKα","","0.0772","0.0606","","","0.162","0.1746","","","","","","1.058","","","","has coordinates,has disorder","265966","2021-06-05","18:12:25",""
"7242314","5.9981","0.0012","11.148","0.002","12.073","0.002","108.98","0.03","101.57","0.03","105.27","0.03","699.3","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 F N2 O3 -","- C15 H15 F N2 O3 -","- C30 H30 F2 N4 O6 -","2","1","","Gak Simić, Kristina; Đorđević, Ivana; Lazić, Anita; Radovanović, Lidija; Petković-Benazzouz, Marija; Rogan, Jelena; Trišović, Nemanja; Janjić, Goran","On the supramolecular outcomes of fluorination of cyclohexane-5-spirohydantoin derivatives","CrystEngComm","2021","23","13","2606","2622","10.1039/D0CE01841D","","","0.71073","MoKα","","0.0733","0.0482","","","0.1073","0.1198","","","","","","1.031","","","","has coordinates,has disorder","265966","2021-06-05","18:12:26",""
"7242315","13.3082","0.0008","11.9672","0.0008","17.9425","0.0011","90","","90","","90","","2857.6","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H20 I2 N2 -","- C10 H20 I2 N2 -","- C80 H160 I16 N16 -","8","1","","Mezentsev-Cherkes, Ivan A.; Shestimerova, Tatiana A.; Medved'ko, Aleksei V.; Kalinin, Mikhail A.; Kuznetsov, Alexey N.; Wei, Zheng; Dikarev, Evgeny V.; Vatsadze, Sergey Z.; Shevelkov, Andrei V.","Synthesis and supramolecular organization of the iodide and triiodides of a polycyclic adamantane-based diammonium cation: the effects of hydrogen bonds and weak I⋯I interactions","CrystEngComm","2021","23","12","2384","2395","10.1039/D0CE01730B","","","0.71073","MoKα","","0.045","0.0314","","","0.0415","0.0437","","","","","","1.118","","","","has coordinates","263737","2021-04-05","14:37:07",""
"7242316","15.261","0.0019","9.3873","0.0012","31.291","0.004","90","","101.966","0.002","90","","4385.3","1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H22 I6 N2 O -","- C10 H22 I6 N2 O -","- C80 H176 I48 N16 O8 -","8","2","","Mezentsev-Cherkes, Ivan A.; Shestimerova, Tatiana A.; Medved'ko, Aleksei V.; Kalinin, Mikhail A.; Kuznetsov, Alexey N.; Wei, Zheng; Dikarev, Evgeny V.; Vatsadze, Sergey Z.; Shevelkov, Andrei V.","Synthesis and supramolecular organization of the iodide and triiodides of a polycyclic adamantane-based diammonium cation: the effects of hydrogen bonds and weak I⋯I interactions","CrystEngComm","2021","23","12","2384","2395","10.1039/D0CE01730B","","","0.71073","MoKα","","0.0829","0.0579","","","0.0887","0.0947","","","","","","1.178","","","","has coordinates","263737","2021-04-05","14:37:09",""
"7242317","8.1345","0.0012","8.6866","0.0016","13.065","0.001","95.775","0.009","98.828","0.01","96.093","0.01","900.7","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H20 I4 N2 -","- C10 H20 I4 N2 -","- C20 H40 I8 N4 -","2","1","","Mezentsev-Cherkes, Ivan A.; Shestimerova, Tatiana A.; Medved'ko, Aleksei V.; Kalinin, Mikhail A.; Kuznetsov, Alexey N.; Wei, Zheng; Dikarev, Evgeny V.; Vatsadze, Sergey Z.; Shevelkov, Andrei V.","Synthesis and supramolecular organization of the iodide and triiodides of a polycyclic adamantane-based diammonium cation: the effects of hydrogen bonds and weak I⋯I interactions","CrystEngComm","2021","23","12","2384","2395","10.1039/D0CE01730B","","","0.71073","MoKα","","0.2991","0.052","","","0.1192","0.2235","","","","","","0.596","","","","has coordinates","263737","2021-04-05","14:37:18",""
"7242318","8.15439","0.00012","8.70472","0.00013","13.0978","0.0002","95.739","0.001","98.8219","0.0009","96.07","0.0009","907.14","0.02","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H20 I4 N2 -","- C10 H20 I4 N2 -","- C20 H40 I8 N4 -","2","1","","Mezentsev-Cherkes, Ivan A.; Shestimerova, Tatiana A.; Medved'ko, Aleksei V.; Kalinin, Mikhail A.; Kuznetsov, Alexey N.; Wei, Zheng; Dikarev, Evgeny V.; Vatsadze, Sergey Z.; Shevelkov, Andrei V.","Synthesis and supramolecular organization of the iodide and triiodides of a polycyclic adamantane-based diammonium cation: the effects of hydrogen bonds and weak I⋯I interactions","CrystEngComm","2021","23","12","2384","2395","10.1039/D0CE01730B","powder diffraction","x-ray","1.54059","CuKa","","0.0259","0.0259","","0.0342","0.0342","","","","1.32","","","","","","","has coordinates","263737","2021-04-05","14:37:20",""
"7242319","16.581","0.006","9.216","0.003","25.101","0.009","90","","90.099","0.011","90","","3836","2","200","1","200","1","","","","","","","","3","P 1 21 1","P 2yb","4","","2,5-bis(4-((2,7-diethyl-9H-fluoren-9-ylidene)methyl)phenyl)thiophene","","- C52 H44 S -","- C52 H44 S -","- C208 H176 S4 -","4","2","","Sonina, Alina A.; Becker, Christina S.; Kuimov, Anatoly D.; Shundrina, Inna K.; Komarov, Vladislav Yu.; Kazantsev, Maxim S.","Alkyl-substituted bis(4-((9H-fluoren-9-ylidene)methyl)phenyl)thiophenes: weakening of intermolecular interactions and additive-assisted crystallization","CrystEngComm","2021","23","14","2654","2664","10.1039/D0CE01794A","","","0.71073","MoKα","","0.0616","0.0464","","","0.1073","0.1203","","","","","","1.092","","","","has coordinates,has disorder","265975","2021-06-05","18:15:31",""
"7242320","5.5891","0.0011","56.499","0.012","19.86","0.004","90","","91.756","0.005","90","","6268","2","200","1","200","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,5-bis(4-((2,7-dioctyl-9H-fluoren-9-ylidene)methyl)phenyl)thiophene","","- C76 H92 S -","- C76 H92 S -","- C304 H368 S4 -","4","1","","Sonina, Alina A.; Becker, Christina S.; Kuimov, Anatoly D.; Shundrina, Inna K.; Komarov, Vladislav Yu.; Kazantsev, Maxim S.","Alkyl-substituted bis(4-((9H-fluoren-9-ylidene)methyl)phenyl)thiophenes: weakening of intermolecular interactions and additive-assisted crystallization","CrystEngComm","2021","23","14","2654","2664","10.1039/D0CE01794A","","","0.71073","MoKα","","0.1536","0.1155","","","0.3063","0.3391","","","","","","1.081","","","","has coordinates,has disorder","265975","2021-06-05","18:15:31",""
"7242321","16.5329","0.0004","9.1211","0.0002","24.9977","0.0006","90","","90.694","0.001","90","","3769.33","0.15","80","2","80","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C52 H44 S -","- C52 H44 S -","- C208 H176 S4 -","4","2","","Sonina, Alina A.; Becker, Christina S.; Kuimov, Anatoly D.; Shundrina, Inna K.; Komarov, Vladislav Yu.; Kazantsev, Maxim S.","Alkyl-substituted bis(4-((9H-fluoren-9-ylidene)methyl)phenyl)thiophenes: weakening of intermolecular interactions and additive-assisted crystallization","CrystEngComm","2021","23","14","2654","2664","10.1039/D0CE01794A","","","1.54178","CuKα","","0.0945","0.071","","","0.1836","0.2066","","","","","","1.038","","","","has coordinates,has disorder","265975","2021-06-05","18:15:31",""
"7242322","5.6172","0.0004","56.654","0.004","19.3396","0.0013","90","","91.715","0.002","90","","6151.8","0.7","80","2","80","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C76 H92 S -","- C75.608 H91.16 S -","- C302.432 H364.64 S4 -","4","1","","Sonina, Alina A.; Becker, Christina S.; Kuimov, Anatoly D.; Shundrina, Inna K.; Komarov, Vladislav Yu.; Kazantsev, Maxim S.","Alkyl-substituted bis(4-((9H-fluoren-9-ylidene)methyl)phenyl)thiophenes: weakening of intermolecular interactions and additive-assisted crystallization","CrystEngComm","2021","23","14","2654","2664","10.1039/D0CE01794A","","","1.54178","CuKα","","0.1874","0.1573","","","0.4883","0.5528","","","","","","1.053","","","","has coordinates,has disorder","265975","2021-06-05","18:15:31",""
"7242324","16.8962","0.0013","15.3037","0.0013","19.884","0.0015","90","","100.126","0.002","90","","5061.4","0.7","296.15","","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H32 Cu2 Mo8 N12 O36 -","- C24 H32 Cu2 Mo8 N12 O36 -","- C96 H128 Cu8 Mo32 N48 O144 -","4","0.5","","Wang, Xiu-Li; Cui, Zi-Wei; Lin, Hong-Yan; Chang, Zhi-Han","The rational design of four multifunctional octamolybdate-based complexes for detecting different ions and removing organic dyes from aqueous solution","CrystEngComm","2021","23","10","2113","2121","10.1039/D1CE00009H","","x-ray","0.71073","MoKα","K-L~3~","0.0752","0.0393","","","0.0773","0.0897","","","","","","0.991","","","","has coordinates","263720","2021-04-05","14:33:21",""
"7242325","17.631","0.002","11.086","0.0013","21.185","0.003","90","","102.41","0.002","90","","4044","0.9","273.15","","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H30 Cu2 Mo8 N6 O35 -","- C15 H30 Cu2 Mo8 N6 O35 -","- C60 H120 Cu8 Mo32 N24 O140 -","4","1","","Wang, Xiu-Li; Cui, Zi-Wei; Lin, Hong-Yan; Chang, Zhi-Han","The rational design of four multifunctional octamolybdate-based complexes for detecting different ions and removing organic dyes from aqueous solution","CrystEngComm","2021","23","10","2113","2121","10.1039/D1CE00009H","","x-ray","0.71073","MoKα","K-L~3~","0.0585","0.0325","","","0.0632","0.0719","","","","","","0.989","","","","has coordinates","263720","2021-04-05","14:33:21",""
"7242326","8.6017","0.0009","10.1464","0.0012","11.7076","0.0012","103.573","0.002","94.473","0.002","94.334","0.002","985.58","0.19","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H28 Cu Mo8 N6 O34 -","- C14 H28 Cu Mo8 N6 O34 -","- C14 H28 Cu Mo8 N6 O34 -","1","0.5","","Wang, Xiu-Li; Cui, Zi-Wei; Lin, Hong-Yan; Chang, Zhi-Han","The rational design of four multifunctional octamolybdate-based complexes for detecting different ions and removing organic dyes from aqueous solution","CrystEngComm","2021","23","10","2113","2121","10.1039/D1CE00009H","","x-ray","0.71073","MoKα","K-L~3~","0.1325","0.0522","","","0.0893","0.1144","","","","","","0.917","","","","has coordinates","263720","2021-04-05","14:33:21",""
"7242327","8.5646","0.0004","10.2203","0.0005","12.2734","0.0006","104.382","0.001","92.503","0.001","96.492","0.001","1031.11","0.09","273.15","","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H32 Cu Mo8 N6 O34 -","- C16 H32 Cu Mo8 N6 O34 -","- C16 H32 Cu Mo8 N6 O34 -","1","0.5","","Wang, Xiu-Li; Cui, Zi-Wei; Lin, Hong-Yan; Chang, Zhi-Han","The rational design of four multifunctional octamolybdate-based complexes for detecting different ions and removing organic dyes from aqueous solution","CrystEngComm","2021","23","10","2113","2121","10.1039/D1CE00009H","","x-ray","0.71073","MoKα","K-L~3~","0.0403","0.0299","","","0.0619","0.0667","","","","","","1.02","","","","has coordinates","263720","2021-04-05","14:33:21",""
"7242331","11.9399","0.0015","12.4842","0.0014","13.9049","0.0016","93.014","0.004","101.308","0.004","101.102","0.004","1985.6","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H39 Cl Dy N5 O8 -","- C35 H39 Cl Dy N5 O8 -","- C70 H78 Cl2 Dy2 N10 O16 -","2","1","","Xu, Shao-Min; An, Zhong-Wu; Zhang, Wei; Zhang, Yi-Quan; Yao, Min-Xia","Ligand field and anion-driven structures and magnetic properties of dysprosium complexes","CrystEngComm","2021","23","15","2825","2834","10.1039/D1CE00115A","","","0.71073","MoKα","","0.0742","0.0471","","","0.1021","0.11","","","","","","1.006","","","","has coordinates,has disorder","265978","2021-06-05","18:16:29",""
"7242332","16.3957","0.001","9.7879","0.0006","20.6189","0.0014","90","","110.783","0.002","90","","3093.6","0.3","304","2","304","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H31 Dy N6 O5 -","- C33 H31 Dy N6 O5 -","- C132 H124 Dy4 N24 O20 -","4","1","","Xu, Shao-Min; An, Zhong-Wu; Zhang, Wei; Zhang, Yi-Quan; Yao, Min-Xia","Ligand field and anion-driven structures and magnetic properties of dysprosium complexes","CrystEngComm","2021","23","15","2825","2834","10.1039/D1CE00115A","","","0.71073","MoKα","","0.0185","0.0168","","","0.0412","0.0419","","","","","","1.129","","","","has coordinates","265978","2021-06-05","18:16:29",""
"7242333","36.505","0.008","21.596","0.004","27.632","0.006","90","","129.627","0.008","90","","16778","6","303","2","303","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C93 H75 Dy2 N5 O10 -","- C93 H75 Dy2 N5 O10 -","- C744 H600 Dy16 N40 O80 -","8","1","","Xu, Shao-Min; An, Zhong-Wu; Zhang, Wei; Zhang, Yi-Quan; Yao, Min-Xia","Ligand field and anion-driven structures and magnetic properties of dysprosium complexes","CrystEngComm","2021","23","15","2825","2834","10.1039/D1CE00115A","","","0.71073","MoKα","","0.0315","0.0236","","","0.0542","0.0567","","","","","","1.052","","","","has coordinates,has disorder","265978","2021-06-05","18:16:29",""
"7242334","34.86","0.006","11.53","0.0019","14.156","0.003","90","","102.602","0.006","90","","5552.7","1.8","273","2","273.15","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C12 H101 Al3 Mo18 N18 O107 Zn5 -","- C12 H52 Al3 Mo18 N18 O92 Zn5 -","- C24 H104 Al6 Mo36 N36 O184 Zn10 -","2","0.5","","Ying, Jun; Zhang, Baoyue; Tian, Aixiang; Wang, Xiuli","A series of A- and B-type Anderson compounds with Al, Te and Cr as centers by tuning different ligands: syntheses, electrochemical, photocatalytic and CO2RR properties","CrystEngComm","2021","23","13","2572","2581","10.1039/D1CE00185J","","","0.71073","MoKα","","0.0443","0.0369","","","0.1009","0.1055","","","","","","1.045","","","","has coordinates","265968","2021-06-05","18:12:51",""
"7242335","10.6722","0.0006","20.4675","0.0011","11.8026","0.0006","90","","106.806","0.001","90","","2468","0.2","296","2","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C10 H53 Cr Mo6 N4 O40 Zn2 -","- C10 H30 Cr Mo6 N4 O40 Zn2 -","- C20 H60 Cr2 Mo12 N8 O80 Zn4 -","2","0.5","","Ying, Jun; Zhang, Baoyue; Tian, Aixiang; Wang, Xiuli","A series of A- and B-type Anderson compounds with Al, Te and Cr as centers by tuning different ligands: syntheses, electrochemical, photocatalytic and CO2RR properties","CrystEngComm","2021","23","13","2572","2581","10.1039/D1CE00185J","","","0.71073","MoKα","","0.0346","0.0301","","","0.0819","0.0836","","","","","","1.084","","","","has coordinates","265968","2021-06-05","18:12:52",""
"7242336","5.9548","0.0007","12.6735","0.0015","26.997","0.003","90","","91.812","0.002","90","","2036.4","0.4","296","2","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H35 Cr Cu2 Mo6 N8 O24 -","- C22 H28 Cr Cu2 Mo6 N8 O24 -","- C44 H56 Cr2 Cu4 Mo12 N16 O48 -","2","0.5","","Ying, Jun; Zhang, Baoyue; Tian, Aixiang; Wang, Xiuli","A series of A- and B-type Anderson compounds with Al, Te and Cr as centers by tuning different ligands: syntheses, electrochemical, photocatalytic and CO2RR properties","CrystEngComm","2021","23","13","2572","2581","10.1039/D1CE00185J","","","0.71073","MoKα","","0.058","0.0399","","","0.0954","0.1033","","","","","","1.015","","","","has coordinates","265968","2021-06-05","18:12:52",""
"7242337","10.5413","0.0003","18.9773","0.0006","13.4274","0.0004","90","","113.055","0.001","90","","2471.55","0.13","296","2","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C10 H55 Cr Cu2 Mo6 N4 O49 -","- C10 H48 Cr Cu2 Mo6 N4 O49 -","- C20 H96 Cr2 Cu4 Mo12 N8 O98 -","2","0.5","","Ying, Jun; Zhang, Baoyue; Tian, Aixiang; Wang, Xiuli","A series of A- and B-type Anderson compounds with Al, Te and Cr as centers by tuning different ligands: syntheses, electrochemical, photocatalytic and CO2RR properties","CrystEngComm","2021","23","13","2572","2581","10.1039/D1CE00185J","","","0.71073","MoKα","","0.0317","0.0253","","","0.0652","0.0677","","","","","","1.045","","","","has coordinates","265968","2021-06-05","18:12:52",""
"7242338","13.9321","0.0007","15.22","0.0008","16.7345","0.0009","77.324","0.001","70.349","0.001","80.349","0.001","3243.3","0.3","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C60 H126 Cu6 Mo18 N24 O96 Te3 -","- C60 H92 Cu6 Mo18 N24 O84 Te3 -","- C60 H92 Cu6 Mo18 N24 O84 Te3 -","1","0.5","","Ying, Jun; Zhang, Baoyue; Tian, Aixiang; Wang, Xiuli","A series of A- and B-type Anderson compounds with Al, Te and Cr as centers by tuning different ligands: syntheses, electrochemical, photocatalytic and CO2RR properties","CrystEngComm","2021","23","13","2572","2581","10.1039/D1CE00185J","","","0.71073","MoKα","","0.0937","0.0462","","","0.1039","0.1222","","","","","","1.012","","","","has coordinates","288155","2023-12-07","17:20:22",""
"7242339","10.6306","0.0006","17.2039","0.001","14.0285","0.0008","90","","108.196","0.001","90","","2437.3","0.2","273","2","273.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C10 H26 Co2 Cr Mo6 N4 O38 -","- C10 H26 Co2 Cr Mo6 N4 O38 -","- C20 H52 Co4 Cr2 Mo12 N8 O76 -","2","0.5","","Ying, Jun; Zhang, Baoyue; Tian, Aixiang; Wang, Xiuli","A series of A- and B-type Anderson compounds with Al, Te and Cr as centers by tuning different ligands: syntheses, electrochemical, photocatalytic and CO2RR properties","CrystEngComm","2021","23","13","2572","2581","10.1039/D1CE00185J","","","0.71073","MoKα","","0.0693","0.0381","","","0.0841","0.0939","","","","","","1.022","","","","has coordinates","265968","2021-06-05","18:12:52",""
"7242343","13.642","0.002","12.843","0.002","13.658","0.002","90","","107.055","0.005","90","","2287.7","0.6","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 Cl3 Fe N4 O2 -","- C20 H20 Cl3 Fe N4 O2 -","- C80 H80 Cl12 Fe4 N16 O8 -","4","1","","Basak, Tanmoy; Frontera, Antonio; Chattopadhyay, Shouvik","Insight into non-covalent interactions in two triamine-based mononuclear iron(iii) Schiff base complexes with special emphasis on the formation of Br⋯π halogen bonding","CrystEngComm","2021","23","7","1578","1587","10.1039/D0CE01534B","","","0.71073","MoKα","","0.0475","0.0423","","","0.1266","0.139","","","","","","1.079","","","","has coordinates","262459","2021-03-04","10:33:04",""
"7242344","12.7967","0.001","9.4429","0.0007","17.7657","0.0014","90","","108.017","0.003","90","","2041.5","0.3","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 Br2 Fe N6 O2 -","- C18 H17 Br2 Fe N6 O2 -","- C72 H68 Br8 Fe4 N24 O8 -","4","1","","Basak, Tanmoy; Frontera, Antonio; Chattopadhyay, Shouvik","Insight into non-covalent interactions in two triamine-based mononuclear iron(iii) Schiff base complexes with special emphasis on the formation of Br⋯π halogen bonding","CrystEngComm","2021","23","7","1578","1587","10.1039/D0CE01534B","","","0.71073","MoKα","","0.0498","0.0359","","","0.082","0.089","","","","","","1.027","","","","has coordinates","262459","2021-03-04","10:33:05",""
"7242351","12.3623","0.001","22.09","0.002","16.5066","0.0013","90","","107.211","0.002","90","","4305.8","0.6","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C30 H42 N6 O13 S5 Zn3 -","- C30 H42 N6 O13 S5 Zn3 -","- C120 H168 N24 O52 S20 Zn12 -","4","1","","Siddique, Armeen; I., Mantasha; Rawat, Poonam; Singh, Ram Niwas; Shahid, M.; Trivedi, Sweta; Gautam, Anshu; Zeeshan, Mohd","A new Zn(ii) MOF assembled from metal‒organic cubes (MOCs) as a highly efficient adsorbent for cationic dyes","CrystEngComm","2021","23","11","2316","2325","10.1039/D0CE01577F","","","0.71073","MoKα","","0.0896","0.0824","","","0.2197","0.227","","","","","","1.0389","","","","has coordinates","263731","2021-04-05","14:35:32",""
"7242352","5.4511","0.0004","8.7712","0.0005","21.3404","0.0012","90","","90.438","0.004","90","","1020.31","0.11","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H30 O3 -","- C23 H30 O3 -","- C46 H60 O6 -","2","1","","Khandavilli, Udaya B. Rao; Buckley, Aoife M.; Maguire, Anita R.; Kiran, Mangalampalli S. R. N.; Ramamurty, Upadrasta; Lawrence, Simon E.","Epimers with distinct mechanical behaviours","CrystEngComm","2021","23","34","5848","5855","10.1039/D0CE01723J","","","1.54178","CuKα","","0.0525","0.0496","","","0.1507","0.1539","","","","","","1.074","","","","has coordinates","268680","2021-09-06","10:31:08",""
"7242353","5.3651","0.0003","9.6939","0.0005","42.693","0.003","90","","90","","90","","2220.4","0.2","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H32 O3 -","- C24 H32 O3 -","- C96 H128 O12 -","4","1","","Khandavilli, Udaya B. Rao; Buckley, Aoife M.; Maguire, Anita R.; Kiran, Mangalampalli S. R. N.; Ramamurty, Upadrasta; Lawrence, Simon E.","Epimers with distinct mechanical behaviours","CrystEngComm","2021","23","34","5848","5855","10.1039/D0CE01723J","","","1.54178","CuKα","","0.067","0.0627","","","0.166","0.1686","","","","","","1.037","","","","has coordinates,has disorder","268680","2021-09-06","10:31:09",""
"7242354","5.3605","0.0004","10.0888","0.0008","21.47","0.0016","90","","97.129","0.005","90","","1152.14","0.15","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H34 O3 -","- C25 H34 O3 -","- C50 H68 O6 -","2","1","","Khandavilli, Udaya B. Rao; Buckley, Aoife M.; Maguire, Anita R.; Kiran, Mangalampalli S. R. N.; Ramamurty, Upadrasta; Lawrence, Simon E.","Epimers with distinct mechanical behaviours","CrystEngComm","2021","23","34","5848","5855","10.1039/D0CE01723J","","","1.54178","CuKα","","0.0666","0.0607","","","0.1594","0.165","","","","","","1.076","","","","has coordinates","268680","2021-09-06","10:31:09",""
"7242355","7.0826","0.0002","16.1438","0.0004","20.5765","0.0005","90","","90","","90","","2352.72","0.11","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H34 O3 -","- C25 H34 O3 -","- C100 H136 O12 -","4","1","","Khandavilli, Udaya B. Rao; Buckley, Aoife M.; Maguire, Anita R.; Kiran, Mangalampalli S. R. N.; Ramamurty, Upadrasta; Lawrence, Simon E.","Epimers with distinct mechanical behaviours","CrystEngComm","2021","23","34","5848","5855","10.1039/D0CE01723J","","","1.54178","CuKα","","0.0737","0.0712","","","0.214","0.2179","","","","","","1.087","","","","has coordinates","268680","2021-09-06","10:31:09",""
"7242356","8.8941","0.0002","11.081","0.0003","25.582","0.0007","90","","93.029","0.001","90","","2517.72","0.11","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H36 O3 -","- C26 H36 O3 -","- C104 H144 O12 -","4","2","","Khandavilli, Udaya B. Rao; Buckley, Aoife M.; Maguire, Anita R.; Kiran, Mangalampalli S. R. N.; Ramamurty, Upadrasta; Lawrence, Simon E.","Epimers with distinct mechanical behaviours","CrystEngComm","2021","23","34","5848","5855","10.1039/D0CE01723J","","","1.54178","CuKα","","0.0896","0.0875","","","0.2505","0.2544","","","","","","1.044","","","","has coordinates,has disorder","268680","2021-09-06","10:31:09",""
"7242357","6.6418","0.0001","15.8771","0.0003","20.7515","0.0004","90","","90","","90","","2188.3","0.07","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H32 O3 -","- C23.9998 H31.9995 O2.9999 -","- C95.9992 H127.998 O11.9996 -","4","1","","Khandavilli, Udaya B. Rao; Buckley, Aoife M.; Maguire, Anita R.; Kiran, Mangalampalli S. R. N.; Ramamurty, Upadrasta; Lawrence, Simon E.","Epimers with distinct mechanical behaviours","CrystEngComm","2021","23","34","5848","5855","10.1039/D0CE01723J","","","1.54178","CuKα","","0.0413","0.0405","","","0.1162","0.1174","","","","","","1.033","","","","has coordinates,has disorder","268680","2021-09-06","10:31:09",""
"7242358","6.4082","0.0005","15.89","0.0013","20.4115","0.0016","90","","90","","90","","2078.4","0.3","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H30 O3 -","- C23 H30 O3 -","- C92 H120 O12 -","4","1","","Khandavilli, Udaya B. Rao; Buckley, Aoife M.; Maguire, Anita R.; Kiran, Mangalampalli S. R. N.; Ramamurty, Upadrasta; Lawrence, Simon E.","Epimers with distinct mechanical behaviours","CrystEngComm","2021","23","34","5848","5855","10.1039/D0CE01723J","","","1.54178","CuKα","","0.0419","0.0414","","","0.1156","0.1164","","","","","","1.044","","","","has coordinates","268680","2021-09-06","10:31:09",""
"7242359","5.6104","0.0002","9.8196","0.0004","43.1042","0.0017","90","","90","","90","","2374.69","0.16","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H36 O3 -","- C26 H36 O3 -","- C104 H144 O12 -","4","1","","Khandavilli, Udaya B. Rao; Buckley, Aoife M.; Maguire, Anita R.; Kiran, Mangalampalli S. R. N.; Ramamurty, Upadrasta; Lawrence, Simon E.","Epimers with distinct mechanical behaviours","CrystEngComm","2021","23","34","5848","5855","10.1039/D0CE01723J","","","1.54178","CuKα","","0.0461","0.0452","","","0.1146","0.1152","","","","","","1.111","","","","has coordinates","268680","2021-09-06","10:31:09",""
"7242361","10.3684","0.0005","11.7212","0.0006","13.6653","0.0007","96.048","0.004","93.197","0.005","97.803","0.005","1632.07","0.14","295","2","295","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H12 Li N5 O2 -","- C17 H12 Li N5 O2 -","- C68 H48 Li4 N20 O8 -","4","2","","Chunikhin, Sergey S.; Ershov, Oleg V.; Yatsenko, Alexandr V.; Tafeenko, Viktor A.; Dmitrieva, Natalia E.; Ievlev, Mikhail Yu.","Alkali metal salts of a tetracyanopyridine (TCPy) derivative: structure characterization and luminescence properties","CrystEngComm","2021","23","15","2816","2824","10.1039/D1CE00028D","","","1.54186","CuKα","","0.113","0.056","","","0.1441","0.1859","","","","","","0.851","","","","has coordinates","265980","2021-06-05","18:17:18",""
"7242362","22.0886","0.0019","8.7859","0.0004","20.308","0.001","90","","127.702","0.005","90","","3118.2","0.4","295","2","295","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H8 N5 Rb -","- C17 H8 N5 Rb -","- C136 H64 N40 Rb8 -","8","1","","Chunikhin, Sergey S.; Ershov, Oleg V.; Yatsenko, Alexandr V.; Tafeenko, Viktor A.; Dmitrieva, Natalia E.; Ievlev, Mikhail Yu.","Alkali metal salts of a tetracyanopyridine (TCPy) derivative: structure characterization and luminescence properties","CrystEngComm","2021","23","15","2816","2824","10.1039/D1CE00028D","","","1.54186","CuKα","","0.0574","0.0313","","","0.0679","0.0746","","","","","","0.832","","","","has coordinates","265980","2021-06-05","18:17:18",""
"7242363","20.608","0.0005","7.2325","0.0002","23.9944","0.0005","90","","90","","90","","3576.3","0.15","295","2","295","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C38 H22 K2 N12 -","- C38 H22 K2 N12 -","- C152 H88 K8 N48 -","4","1","","Chunikhin, Sergey S.; Ershov, Oleg V.; Yatsenko, Alexandr V.; Tafeenko, Viktor A.; Dmitrieva, Natalia E.; Ievlev, Mikhail Yu.","Alkali metal salts of a tetracyanopyridine (TCPy) derivative: structure characterization and luminescence properties","CrystEngComm","2021","23","15","2816","2824","10.1039/D1CE00028D","","","1.54186","CuKα","","0.1611","0.0736","","","0.1604","0.198","","","","","","0.807","","","","has coordinates","265980","2021-06-05","18:17:18",""
"7242364","18.6417","0.0005","6.1755","0.0002","30.2781","0.0011","90","","116.722","0.002","90","","3113.4","0.18","295","2","295","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H10 N5 Na O -","- C17 H10 N5 Na O -","- C136 H80 N40 Na8 O8 -","8","1","","Chunikhin, Sergey S.; Ershov, Oleg V.; Yatsenko, Alexandr V.; Tafeenko, Viktor A.; Dmitrieva, Natalia E.; Ievlev, Mikhail Yu.","Alkali metal salts of a tetracyanopyridine (TCPy) derivative: structure characterization and luminescence properties","CrystEngComm","2021","23","15","2816","2824","10.1039/D1CE00028D","","","1.54186","CuKα","","0.0664","0.0435","","","0.1186","0.1338","","","","","","0.929","","","","has coordinates","265980","2021-06-05","18:17:19",""
"7242365","12.1276","0.0004","7.2781","0.0002","20.5686","0.0008","90","","100.77","0.003","90","","1783.53","0.1","295","2","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H12 Cs N5 O -","- C18 H12 Cs N5 O -","- C72 H48 Cs4 N20 O4 -","4","1","","Chunikhin, Sergey S.; Ershov, Oleg V.; Yatsenko, Alexandr V.; Tafeenko, Viktor A.; Dmitrieva, Natalia E.; Ievlev, Mikhail Yu.","Alkali metal salts of a tetracyanopyridine (TCPy) derivative: structure characterization and luminescence properties","CrystEngComm","2021","23","15","2816","2824","10.1039/D1CE00028D","","","1.54186","CuKα","","0.0584","0.0516","","","0.1311","0.1356","","","","","","0.968","","","","has coordinates","265980","2021-06-05","18:17:19",""
"7242366","20.3657","0.0015","33.018","0.003","10.0713","0.0008","90","","90","","90","","6772.3","1","423","2","423","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C36 H32 O6 P2 S -","- C36 H32 O6 P2 S -","- C288 H256 O48 P16 S8 -","8","0.5","","Xu, Wen-Tao; Liu, Jun-Chao; Zeng, Yu-Ling; Zhang, Hua; Wang, Zhong-Xia","Competing hydrogen-bonding interactions in a high-Tc organic molecular-ionic crystal with evident nonlinear optical response","CrystEngComm","2021","23","13","2509","2512","10.1039/D0CE01875A","","","0.71073","MoKα","","0.0805","0.044","","","0.1112","0.1261","","","","","","1.001","","","","has coordinates","265967","2021-06-05","18:12:37",""
"7242367","20.1201","0.0018","32.676","0.003","10.0411","0.0008","90","","90","","90","","6601.5","1","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C36 H32 O6 P2 S -","- C36 H32 O6 P2 S -","- C288 H256 O48 P16 S8 -","8","0.5","","Xu, Wen-Tao; Liu, Jun-Chao; Zeng, Yu-Ling; Zhang, Hua; Wang, Zhong-Xia","Competing hydrogen-bonding interactions in a high-Tc organic molecular-ionic crystal with evident nonlinear optical response","CrystEngComm","2021","23","13","2509","2512","10.1039/D0CE01875A","","","0.71073","MoKα","","0.0501","0.0379","","","0.0989","0.1046","","","","","","1.004","","","","has coordinates","265967","2021-06-05","18:12:37",""
"7242368","20.087","0.003","32.633","0.005","10.0097","0.0018","90","","90","","90","","6561.3","1.8","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C36 H30 D2 O6 P2 S -","- C36 H30 D2 O6 P2 S -","- C288 H240 D16 O48 P16 S8 -","8","0.5","","Xu, Wen-Tao; Liu, Jun-Chao; Zeng, Yu-Ling; Zhang, Hua; Wang, Zhong-Xia","Competing hydrogen-bonding interactions in a high-Tc organic molecular-ionic crystal with evident nonlinear optical response","CrystEngComm","2021","23","13","2509","2512","10.1039/D0CE01875A","","","0.71073","MoKα","","0.2133","0.0785","","","0.1566","0.2011","","","","","","1.001","","","","has coordinates","265967","2021-06-05","18:12:37",""
"7242370","4.7441","0.0004","9.5883","0.0009","12.077","0.0011","73.421","0.005","89.483","0.005","86.045","0.006","525.23","0.08","296","2","296","2","","","","","","","","7","P 1","P 1","1","","Ethyl 2-[5-(4-bromophenyl)-3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]- 1,3-thiazole-4-carboxylate","","- C21 H17 Br Cl N3 O2 S -","- C21 H17 Br Cl N3 O2 S -","- C21 H17 Br Cl N3 O2 S -","1","1","","Ahmed, Muhammad Naeem; Madni, Murtaza; Anjum, Shaista; Andleeb, Saiqa; Hameed, Shahid; Khan, Abdul Majeed; Ashfaq, Muhammad; Tahir, Muhammad Nawaz; Gil, Diego M.; Frontera, Antonio","Crystal engineering with pyrazolyl-thiazole derivatives: structure-directing role of π-stacking and σ-hole interactions","CrystEngComm","2021","23","18","3276","3287","10.1039/D1CE00256B","","","0.71073","MoKα","","0.0499","0.0346","","","0.0713","0.0766","","","","","","1.032","","","","has coordinates","265989","2021-06-05","18:19:53",""
"7242371","23.994","0.004","5.058","0.0009","20.359","0.003","90","","90","","90","","2470.8","0.7","296","2","296","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","2-(5-(4-Chlorophenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-N'-[(E)-(2-hydroxy -3-methoxyphenyl)methylidene]-1,3-thiazole-4-carbohydrazide","","- C27 H22 Cl N5 O3 S -","- C27 H22 Cl N5 O3 S -","- C108 H88 Cl4 N20 O12 S4 -","4","1","","Ahmed, Muhammad Naeem; Madni, Murtaza; Anjum, Shaista; Andleeb, Saiqa; Hameed, Shahid; Khan, Abdul Majeed; Ashfaq, Muhammad; Tahir, Muhammad Nawaz; Gil, Diego M.; Frontera, Antonio","Crystal engineering with pyrazolyl-thiazole derivatives: structure-directing role of π-stacking and σ-hole interactions","CrystEngComm","2021","23","18","3276","3287","10.1039/D1CE00256B","","","0.71073","MoKα","","0.1335","0.0465","","","0.0628","0.0779","","","","","","0.915","","","","has coordinates","265989","2021-06-05","18:19:53",""
"7242372","7.3329","0.0004","11.3359","0.0007","13.3196","0.0007","105.658","0.003","92.689","0.002","97.255","0.003","1053.76","0.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","1-{2-[3-(4-Bromophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-methyl-1,3-thiazol-5-yl}ethan-1-one","","- C22 H20 Br N3 O2 S -","- C22 H20 Br N3 O2 S -","- C44 H40 Br2 N6 O4 S2 -","2","1","","Ahmed, Muhammad Naeem; Madni, Murtaza; Anjum, Shaista; Andleeb, Saiqa; Hameed, Shahid; Khan, Abdul Majeed; Ashfaq, Muhammad; Tahir, Muhammad Nawaz; Gil, Diego M.; Frontera, Antonio","Crystal engineering with pyrazolyl-thiazole derivatives: structure-directing role of π-stacking and σ-hole interactions","CrystEngComm","2021","23","18","3276","3287","10.1039/D1CE00256B","","","0.71073","MoKα","","0.0809","0.0396","","","0.084","0.0982","","","","","","1.019","","","","has coordinates","265989","2021-06-05","18:19:53",""
"7242373","6.3282","0.0008","9.8266","0.0012","39.383","0.005","90","","90","","90","","2449","0.5","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H33 N O -","- C27 H33 N O -","- C108 H132 N4 O4 -","4","1","","Ishizaki, Kazuki; Sugimoto, Ryota; Hagiwara, Yuki; Koshima, Hideko; Taniguchi, Takuya; Asahi, Toru","Actuation performance of a photo-bending crystal modeled by machine learning-based regression","CrystEngComm","2021","23","34","5839","5847","10.1039/D1CE00208B","","","0.71075","MoKα","","0.1083","0.0589","","","0.131","0.1545","","","","","","1","","","","has coordinates,has disorder","268696","2021-09-06","10:34:19",""
"7242374","15.458","0.002","14.634","0.003","23.965","0.004","90","","90","","90","","5421.2","1.6","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C50 H48 N16 O8 Zn4 -","- C50 H48 N16 O8 Zn4 -","- C200 H192 N64 O32 Zn16 -","4","0.5","","Basak, Tanmoy; Gomila, Rosa M.; Frontera, Antonio; Chattopadhyay, Shouvik","Differentiating intramolecular spodium bonds from coordination bonds in two polynuclear zinc(ii) Schiff base complexes","CrystEngComm","2021","23","14","2703","2710","10.1039/D1CE00214G","","","0.71073","MoKα","","0.1335","0.0803","","","0.2361","0.2794","","","","","","1.108","","","","has coordinates","265976","2021-06-05","18:15:49",""
"7242375","8.7813","0.0011","15.1028","0.0018","11.4147","0.0014","90","","99.628","0.004","90","","1492.5","0.3","273","2","273","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C27 H28 N8 O4 Zn2 -","- C27 H28 N8 O4 Zn2 -","- C54 H56 N16 O8 Zn4 -","2","1","","Basak, Tanmoy; Gomila, Rosa M.; Frontera, Antonio; Chattopadhyay, Shouvik","Differentiating intramolecular spodium bonds from coordination bonds in two polynuclear zinc(ii) Schiff base complexes","CrystEngComm","2021","23","14","2703","2710","10.1039/D1CE00214G","","","0.71073","MoKα","","0.0725","0.0553","","","0.1337","0.147","","","","","","1.06","","","","has coordinates","265976","2021-06-05","18:15:49",""
"7242376","19.4312","0.0008","21.9435","0.0008","14.1557","0.0007","90","","92.787","0.007","90","","6028.7","0.4","300","","300","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 F6 Fe N10 O4 -","- C26 H18 F6 Fe N10 O4 -","- C208 H144 F48 Fe8 N80 O32 -","8","1","","Sugiyarto, Kristian Handoyo; Onggo, Djulia; Akutsu, Hiroki; Reddy, Varimalla Raghavendra; Sutrisno, Hari; Nakazawa, Yasuhiro; Bhattacharjee, Ashis","Structural, magnetic and Mössbauer spectroscopic studies of the [Fe(3-bpp)2](CF3COO)2 complex: role of crystal packing leading to an incomplete Fe(ii) high spin ⇋ low spin transition","CrystEngComm","2021","23","15","2854","2861","10.1039/D0CE01687J","","","0.71075","MoKα","","0.0704","0.0548","","","0.1568","0.1665","","","","","","1.071","","","","has coordinates","264895","2021-05-05","08:29:17",""
"7242377","19.2114","0.0007","21.9406","0.0009","13.9778","0.0005","90","","92.151","0.003","90","","5887.6","0.4","200","","200","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[Fe(bpp)2](TFA)2","[Fe(bpp)2](CF3COO)2","","- C26 H18 F6 Fe N10 O4 -","- C26 H18 F6 Fe N10 O4 -","- C208 H144 F48 Fe8 N80 O32 -","8","1","","Sugiyarto, Kristian Handoyo; Onggo, Djulia; Akutsu, Hiroki; Reddy, Varimalla Raghavendra; Sutrisno, Hari; Nakazawa, Yasuhiro; Bhattacharjee, Ashis","Structural, magnetic and Mössbauer spectroscopic studies of the [Fe(3-bpp)2](CF3COO)2 complex: role of crystal packing leading to an incomplete Fe(ii) high spin ⇋ low spin transition","CrystEngComm","2021","23","15","2854","2861","10.1039/D0CE01687J","","","0.71073","MoKα","","0.0534","0.0441","","","0.1199","0.1264","","","","","","1.07","","","","has coordinates","264895","2021-05-05","08:29:18",""
"7242378","19.2154","0.0004","21.7934","0.0004","13.8564","0.0004","90","","92.334","0.007","90","","5797.8","0.2","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 F6 Fe N10 O4 -","- C26 H18 F6 Fe N10 O4 -","- C208 H144 F48 Fe8 N80 O32 -","8","1","","Sugiyarto, Kristian Handoyo; Onggo, Djulia; Akutsu, Hiroki; Reddy, Varimalla Raghavendra; Sutrisno, Hari; Nakazawa, Yasuhiro; Bhattacharjee, Ashis","Structural, magnetic and Mössbauer spectroscopic studies of the [Fe(3-bpp)2](CF3COO)2 complex: role of crystal packing leading to an incomplete Fe(ii) high spin ⇋ low spin transition","CrystEngComm","2021","23","15","2854","2861","10.1039/D0CE01687J","","","0.71075","MoKα","","0.0463","0.0399","","","0.0932","0.0961","","","","","","1.067","","","","has coordinates","264895","2021-05-05","08:29:18",""
"7242379","19.3817","0.0006","21.9198","0.0007","14.0784","0.0005","90","","92.693","0.003","90","","5974.5","0.3","250","","250","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[Fe(bpp)2](TFA)2","[Fe(bpp)2](CF3COO)2","","- C26 H18 F6 Fe N10 O4 -","- C26 H18 F6 Fe N10 O4 -","- C208 H144 F48 Fe8 N80 O32 -","8","1","","Sugiyarto, Kristian Handoyo; Onggo, Djulia; Akutsu, Hiroki; Reddy, Varimalla Raghavendra; Sutrisno, Hari; Nakazawa, Yasuhiro; Bhattacharjee, Ashis","Structural, magnetic and Mössbauer spectroscopic studies of the [Fe(3-bpp)2](CF3COO)2 complex: role of crystal packing leading to an incomplete Fe(ii) high spin ⇋ low spin transition","CrystEngComm","2021","23","15","2854","2861","10.1039/D0CE01687J","","","0.71073","MoKα","","0.0529","0.0428","","","0.1182","0.1254","","","","","","1.066","","","","has coordinates","264895","2021-05-05","08:29:18",""
"7242380","19.12","0.005","28.411","0.005","15.383","0.004","90","","100.982","0.018","90","","8203","3","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C52 H25 Dy3 N9 O20 -","- C52 H25 Dy3 N9 O20 -","- C208 H100 Dy12 N36 O80 -","4","0.5","","Zhan, Cai-Hong; Huang, Dan-Ping; Wang, Yu; Mao, Wei-Tao; Wang, Xiao-Juan; Jiang, Zhan-Guo; Feng, Yun-Long","Four anionic Ln-MOFs for remarkable separation of C2H2‒CH4/CO2‒CH4 and highly sensitive sensing of nitrobenzene","CrystEngComm","2021","23","15","2788","2792","10.1039/D1CE00235J","","","0.71073","MoKα","","0.1184","0.0985","","","0.2263","0.2391","","","","","","1.283","","","","has coordinates,has disorder","265982","2021-06-05","18:18:05",""
"7242381","19.173","0.003","28.476","0.003","15.403","0.002","90","","100.962","0.011","90","","8256.1","1.9","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C52 H25 N9 O20 Tb3 -","- C52 H25 N9 O20 Tb3 -","- C208 H100 N36 O80 Tb12 -","4","0.5","","Zhan, Cai-Hong; Huang, Dan-Ping; Wang, Yu; Mao, Wei-Tao; Wang, Xiao-Juan; Jiang, Zhan-Guo; Feng, Yun-Long","Four anionic Ln-MOFs for remarkable separation of C2H2‒CH4/CO2‒CH4 and highly sensitive sensing of nitrobenzene","CrystEngComm","2021","23","15","2788","2792","10.1039/D1CE00235J","","","0.71073","MoKα","","0.1208","0.0966","","","0.2632","0.286","","","","","","1.047","","","","has coordinates,has disorder","265982","2021-06-05","18:18:05",""
"7242382","19.217","0.0013","28.514","0.002","15.3668","0.0011","90","","100.677","0.004","90","","8274.5","1","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C52 H25 Gd3 N9 O20 -","- C52 H25 Gd3 N9 O20 -","- C208 H100 Gd12 N36 O80 -","4","0.5","","Zhan, Cai-Hong; Huang, Dan-Ping; Wang, Yu; Mao, Wei-Tao; Wang, Xiao-Juan; Jiang, Zhan-Guo; Feng, Yun-Long","Four anionic Ln-MOFs for remarkable separation of C2H2‒CH4/CO2‒CH4 and highly sensitive sensing of nitrobenzene","CrystEngComm","2021","23","15","2788","2792","10.1039/D1CE00235J","","","0.71073","MoKα","","0.0736","0.0532","","","0.1356","0.1438","","","","","","1.044","","","","has coordinates,has disorder","265982","2021-06-05","18:18:05",""
"7242383","19.0512","0.0016","28.4046","0.0016","15.4074","0.001","90","","101.195","0.005","90","","8178.9","1","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C52 H25 Ho3 N9 O20 -","- C52 H25 Ho3 N9 O20 -","- C208 H100 Ho12 N36 O80 -","4","0.5","","Zhan, Cai-Hong; Huang, Dan-Ping; Wang, Yu; Mao, Wei-Tao; Wang, Xiao-Juan; Jiang, Zhan-Guo; Feng, Yun-Long","Four anionic Ln-MOFs for remarkable separation of C2H2‒CH4/CO2‒CH4 and highly sensitive sensing of nitrobenzene","CrystEngComm","2021","23","15","2788","2792","10.1039/D1CE00235J","","","0.71073","MoKα","","0.1099","0.0823","","","0.2078","0.2267","","","","","","1.039","","","","has coordinates,has disorder","265982","2021-06-05","18:18:05",""
"7242396","3.9124","0.0003","15.4255","0.0012","11.8549","0.0009","90","","93.293","0.003","90","","714.27","0.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H5 Cl N4 -","- C6 H5 Cl N4 -","- C24 H20 Cl4 N16 -","4","1","","Yang, Feng; Xu, Yuangang; Wang, Pengcheng; Lin, Qiuhan; Bi, Fuqiang; Liu, Ning; Lu, Ming","Pyrazolo[1,5-a]pyrimidine with similar “amino‒nitro‒amino” arrangement characteristics to TATB: a novel heat-resistant explosive with fused structure","CrystEngComm","2021","23","15","2801","2808","10.1039/D1CE00049G","","","0.71073","MoKα","","0.0714","0.0461","","","0.1137","0.1241","","","","","","1.052","","","","has coordinates","265979","2021-06-05","18:16:41",""
"7242397","11.0127","0.0013","4.6953","0.0007","23.988","0.003","90","","93.872","0.004","90","","1237.5","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 Cl N7 O4 -","- C8 H6 Cl N7 O4 -","- C32 H24 Cl4 N28 O16 -","4","1","","Yang, Feng; Xu, Yuangang; Wang, Pengcheng; Lin, Qiuhan; Bi, Fuqiang; Liu, Ning; Lu, Ming","Pyrazolo[1,5-a]pyrimidine with similar “amino‒nitro‒amino” arrangement characteristics to TATB: a novel heat-resistant explosive with fused structure","CrystEngComm","2021","23","15","2801","2808","10.1039/D1CE00049G","","","0.71073","MoKα","","0.1559","0.0657","","","0.1433","0.1769","","","","","","1.012","","","","has coordinates,has disorder","265979","2021-06-05","18:16:53",""
"7242398","4.5803","0.0003","27.1194","0.0017","10.7559","0.0007","90","","99.38","0.002","90","","1318.18","0.15","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8.25 N6 O7.12 -","- C8 H8 N6 O7.125 -","- C32 H32 N24 O28.5 -","4","1","","Yang, Feng; Xu, Yuangang; Wang, Pengcheng; Lin, Qiuhan; Bi, Fuqiang; Liu, Ning; Lu, Ming","Pyrazolo[1,5-a]pyrimidine with similar “amino‒nitro‒amino” arrangement characteristics to TATB: a novel heat-resistant explosive with fused structure","CrystEngComm","2021","23","15","2801","2808","10.1039/D1CE00049G","","","0.71073","MoKα","","0.0783","0.0565","","","0.1552","0.17","","","","","","1.08","","","","has coordinates","265979","2021-06-05","18:16:58",""
"7242399","3.538","0.002","12.804","0.006","13.613","0.007","64.235","0.012","83.9","0.016","82.879","0.016","550.1","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H20 N14 O13 -","- C12 H6 N14 O13 -","- C12 H6 N14 O13 -","1","0.5","","Yang, Feng; Xu, Yuangang; Wang, Pengcheng; Lin, Qiuhan; Bi, Fuqiang; Liu, Ning; Lu, Ming","Pyrazolo[1,5-a]pyrimidine with similar “amino‒nitro‒amino” arrangement characteristics to TATB: a novel heat-resistant explosive with fused structure","CrystEngComm","2021","23","15","2801","2808","10.1039/D1CE00049G","","","0.71073","","","0.1986","0.1553","","","0.3126","0.3309","","","","","","1.136","","","","has coordinates,has disorder","265979","2021-06-05","18:17:01",""
"7242400","10.1005","0.0002","14.618","0.0004","19.371","0.0005","90","","96.553","0.001","90","","2841.42","0.12","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H36 N12 O12 S2 Zn2 -","- C44 H36 N12 O12 S2 Zn2 -","- C88 H72 N24 O24 S4 Zn4 -","2","0.5","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Kan, Shou-Ju; Nguyen, Doan Duy-An","Auxiliary ligand-modulated trisimidazole-based coordination polymers: syntheses, structures and photoluminescence properties","CrystEngComm","2021","23","19","3434","3443","10.1039/D1CE00068C","","","0.71073","MoKα","","0.0533","0.0414","","","0.1152","0.1196","","","","","","1.111","","","","has coordinates,has disorder","265951","2021-06-05","18:09:54",""
"7242401","9.811","0.002","10.155","0.002","11.055","0.002","81.48","0.03","65.66","0.03","61.82","0.03","883.1","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H15 N6 Ni O5 -","- C20 H15 N6 Ni O5 -","- C40 H30 N12 Ni2 O10 -","2","1","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Kan, Shou-Ju; Nguyen, Doan Duy-An","Auxiliary ligand-modulated trisimidazole-based coordination polymers: syntheses, structures and photoluminescence properties","CrystEngComm","2021","23","19","3434","3443","10.1039/D1CE00068C","","","0.71073","MoKα","","0.0232","0.0222","","","0.0557","0.0563","","","","","","1.034","","","","has coordinates","265951","2021-06-05","18:09:54",""
"7242402","8.8834","0.0018","20.288","0.004","13.751","0.003","90","","94.56","0.03","90","","2470.4","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 N6 O7 S2 Zn -","- C25 H20 N6 O7 S2 Zn -","- C100 H80 N24 O28 S8 Zn4 -","4","1","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Kan, Shou-Ju; Nguyen, Doan Duy-An","Auxiliary ligand-modulated trisimidazole-based coordination polymers: syntheses, structures and photoluminescence properties","CrystEngComm","2021","23","19","3434","3443","10.1039/D1CE00068C","","","0.71073","MoKα","","0.0375","0.0295","","","0.0747","0.0799","","","","","","1.042","","","","has coordinates","265951","2021-06-05","18:09:54",""
"7242403","56.682","0.011","16.357","0.003","38.802","0.008","90","","131.77","0.03","90","","26831","15","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C117 H122 N30 O54 S5 Zn5 -","- C117 H122 N30 O54 S4.984 Zn5 -","- C936 H976 N240 O432 S39.872 Zn40 -","8","1","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Kan, Shou-Ju; Nguyen, Doan Duy-An","Auxiliary ligand-modulated trisimidazole-based coordination polymers: syntheses, structures and photoluminescence properties","CrystEngComm","2021","23","19","3434","3443","10.1039/D1CE00068C","","","0.71073","MoKα","","0.0732","0.0566","","","0.1548","0.1692","","","","","","1.043","","","","has coordinates,has disorder","265951","2021-06-05","18:09:54",""
"7242404","56.682","0.011","16.357","0.003","38.802","0.008","90","","131.77","0.03","90","","26831","15","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C117 H122 N30 O54 S5 Zn5 -","- C117 H112 N30 O54 S4.984 Zn5 -","- C936 H896 N240 O432 S39.872 Zn40 -","8","1","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Kan, Shou-Ju; Nguyen, Doan Duy-An","Auxiliary ligand-modulated trisimidazole-based coordination polymers: syntheses, structures and photoluminescence properties","CrystEngComm","2021","23","19","3434","3443","10.1039/D1CE00068C","","","0.71073","MoKα","","0.0725","0.0559","","","0.1533","0.168","","","","","","1.021","","","","has coordinates,has disorder","265951","2021-06-05","18:09:54",""
"7242409","22.1444","0.0018","14.5741","0.0011","28.23","0.002","90","","102.549","0.002","90","","8893.1","1.2","175","2","175","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C40 H78 Ce Cu2 N8 O62 P W11 -","- C40 H32 Ce Cu2 N8 O51 P W11 -","- C160 H128 Ce4 Cu8 N32 O204 P4 W44 -","4","1","","Zhang, Rong-Tao; Xiao, Hui-Ping; Li, Zhong; Wang, Min; Xie, Yu-Feng; Ye, Yi-Da; Li, Xin-Xiong; Zheng, Shou-Tian","Two highly stable inorganic‒organic hybrid 3D frameworks based on Cu‒Ln incorporated polyoxometalates for selective dye removal and proton conduction","CrystEngComm","2021","23","16","2973","2981","10.1039/D1CE00218J","","","0.71073","MoKα","","0.0678","0.0469","","","0.1096","0.1205","","","","","","1.098","","","","has coordinates","265958","2021-06-05","18:11:16",""
"7242410","36.912","0.004","19.18","0.002","22.158","0.003","90","","90","","90","","15687","3","175","2","175","2","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C60 H120 Cu2 N12 Nd2 O112 P2 W22 -","- C60 H48 Cu2 N12 Nd2 O92 P2 W22 -","- C240 H192 Cu8 N48 Nd8 O368 P8 W88 -","4","0.5","","Zhang, Rong-Tao; Xiao, Hui-Ping; Li, Zhong; Wang, Min; Xie, Yu-Feng; Ye, Yi-Da; Li, Xin-Xiong; Zheng, Shou-Tian","Two highly stable inorganic‒organic hybrid 3D frameworks based on Cu‒Ln incorporated polyoxometalates for selective dye removal and proton conduction","CrystEngComm","2021","23","16","2973","2981","10.1039/D1CE00218J","","","0.71073","MoKα","","0.0593","0.04","","","0.094","0.1027","","","","","","1.034","","","","has coordinates","265958","2021-06-05","18:11:16",""
"7242411","26.331","0.003","7.176","0.0007","13.4905","0.0014","90","","119.392","0.006","90","","2220.9","0.4","151","","151","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C2.36 H1.64 N0.36 O0.55 -","- C2.36364 H1.63636 N0.363636 O0.545455 -","- C104 H72 N16 O24 -","44","5.5","","Cao, Lifu; Tang, Baolei; Yu, Xu; Ye, Kaiqi; Zhang, Hongyu","Intense red emissive organic crystals with elastic bending ability and optical waveguiding behaviour","CrystEngComm","2021","23","34","5758","5762","10.1039/D1CE00192B","","","0.71073","MoKα","","0.0367","0.0324","","","0.0817","0.0862","","","","","","1.051","","","","has coordinates","268678","2021-09-06","10:30:28",""
"7242412","4.574","0.0005","10.4956","0.0012","22.772","0.002","90","","93.33","0.004","90","","1091.4","0.2","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 N4 O6 -","- C26 H18 N4 O6 -","- C52 H36 N8 O12 -","2","0.5","","Cao, Lifu; Tang, Baolei; Yu, Xu; Ye, Kaiqi; Zhang, Hongyu","Intense red emissive organic crystals with elastic bending ability and optical waveguiding behaviour","CrystEngComm","2021","23","34","5758","5762","10.1039/D1CE00192B","","","0.71073","MoKα","","0.1312","0.1045","","","0.2135","0.2241","","","","","","1.23","","","","has coordinates","268678","2021-09-06","10:30:28",""
"7242413","10.4889","0.0006","11.1126","0.0007","13.9538","0.0008","99.969","0.002","111.335","0.002","90.59","0.002","1487.34","0.15","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H68 Cd2 N6 O24 P6 -","- C48 H68 Cd2 N6 O24 P6 -","- C48 H68 Cd2 N6 O24 P6 -","1","0.5","","Wu, Jing-Yun; Hu, Zhi-Jia; Sung, Hui-Ling","A water-stable molecular cadmium phosphonate bearing 2-(2-pyridyl)benzimidazole as a highly sensitive luminescence sensor for the selective detection of bisphenol AF and bisphenol B","CrystEngComm","2021","23","15","2842","2853","10.1039/D0CE01740J","","","0.71073","MoKα","","0.0874","0.051","","","0.1086","0.1338","","","","","","1.084","","","","has coordinates","265981","2021-06-05","18:17:27",""
"7242415","14.353","0.0013","30.106","0.003","26.328","0.002","90","","90","","90","","11376.6","1.8","298","2","298.15","","","","","","","","","5","F m m m","-F 2 2","69","","","","- C22 H18 Cl3 Cu3 N10 -","- C22 H18 Cl3 Cu3 N10 -","- C352 H288 Cl48 Cu48 N160 -","16","0.5","","Wang, Xiao-Qing; Tang, Jing; Ma, Xuehui; Wu, Dan; Yang, Jie","A novel copper(i) metal‒organic framework as a highly efficient and ultrasensitive electrochemical platform for detection of Hg(ii) ions in aqueous solution","CrystEngComm","2021","23","16","3043","3051","10.1039/D1CE00197C","","","0.71073","MoKα","","0.1469","0.0809","","","0.2076","0.2339","","","","","","0.828","","","","has coordinates,has disorder","265959","2021-06-05","18:11:26",""
"7242428","7.9854","0.0003","9.1752","0.0003","10.0446","0.0004","109.095","0.003","93.499","0.003","114.294","0.003","617.3","0.05","150","1","150","1","","","","","","","","7","P 1","P 1","1","","","","- C16.5 H18 Fe Mn N13 O2 S2 -","- C16.5 H18 Fe Mn N13 O2 S2 -","- C16.5 H18 Fe Mn N13 O2 S2 -","1","1","","Sasnovskaya, Valentina D.; Zorina, Leokadiya V.; Simonov, Sergey V.; Talantsev, Artem D.; Mikhailov, Artem A.; Kostin, Gennadiy A.; Yagubskii, Eduard B.","Cyano-bridged polynuclear coordination compounds derived from paramagnetic [Mn(H2daptsc)]2+ and photochromic [Fe(CN)5NO]2− building blocks","CrystEngComm","2021","23","14","2733","2745","10.1039/D0CE01863E","","x-ray","0.71073","MoKα","","0.0238","0.0225","","","0.0535","0.0547","","","","","","1.002","","","","has coordinates,has disorder","265970","2021-06-05","18:13:11",""
"7242429","9.4079","0.0002","10.1883","0.0003","23.8729","0.0006","91.19","0.002","93.989","0.002","111.582","0.002","2120","0.1","150","1","150","1","","","","","","","","7","P 1","P 1","1","","","","- C56 H77 Fe3 Mn3 N39 O11 S6 -","- C56 H77 Fe3 Mn3 N39 O11 S6 -","- C56 H77 Fe3 Mn3 N39 O11 S6 -","1","1","","Sasnovskaya, Valentina D.; Zorina, Leokadiya V.; Simonov, Sergey V.; Talantsev, Artem D.; Mikhailov, Artem A.; Kostin, Gennadiy A.; Yagubskii, Eduard B.","Cyano-bridged polynuclear coordination compounds derived from paramagnetic [Mn(H2daptsc)]2+ and photochromic [Fe(CN)5NO]2− building blocks","CrystEngComm","2021","23","14","2733","2745","10.1039/D0CE01863E","","x-ray","0.71073","MoKα","","0.0543","0.0478","","","0.1102","0.1162","","","","","","1","","","","has coordinates","265970","2021-06-05","18:13:12",""
"7242430","7.61976","0.00012","7.9651","0.00013","10.3658","0.0002","80.7473","0.0015","85.5354","0.0015","87.3833","0.0013","618.702","0.019","150","1","150","1","","","","","","","","7","P 1","P 1","1","","","","- C16 H19 Fe Mn N13 O3 S2 -","- C16 H19 Fe Mn N13 O3 S2 -","- C16 H19 Fe Mn N13 O3 S2 -","1","1","","Sasnovskaya, Valentina D.; Zorina, Leokadiya V.; Simonov, Sergey V.; Talantsev, Artem D.; Mikhailov, Artem A.; Kostin, Gennadiy A.; Yagubskii, Eduard B.","Cyano-bridged polynuclear coordination compounds derived from paramagnetic [Mn(H2daptsc)]2+ and photochromic [Fe(CN)5NO]2− building blocks","CrystEngComm","2021","23","14","2733","2745","10.1039/D0CE01863E","","x-ray","0.71073","MoKα","","0.0281","0.026","","","0.0615","0.0631","","","","","","1.002","","","","has coordinates","265970","2021-06-05","18:13:12",""
"7242431","8.1888","0.0001","15.3535","0.0003","18.004","0.0004","111.855","0.002","100.356","0.002","91.24","0.001","2056.93","0.07","150","1","150","1","","","","","","","","8","P -1","-P 1","2","","","","- C27 H30 Cl2 Fe Mn2 N20 O S4 -","- C27 H30 Cl2 Fe Mn2 N20 O S4 -","- C54 H60 Cl4 Fe2 Mn4 N40 O2 S8 -","2","1","","Sasnovskaya, Valentina D.; Zorina, Leokadiya V.; Simonov, Sergey V.; Talantsev, Artem D.; Mikhailov, Artem A.; Kostin, Gennadiy A.; Yagubskii, Eduard B.","Cyano-bridged polynuclear coordination compounds derived from paramagnetic [Mn(H2daptsc)]2+ and photochromic [Fe(CN)5NO]2− building blocks","CrystEngComm","2021","23","14","2733","2745","10.1039/D0CE01863E","","x-ray","0.71073","MoKα","","0.0605","0.042","","","0.1134","0.1179","","","","","","1.002","","","","has coordinates","265970","2021-06-05","18:13:12",""
"7242432","10.20025","0.00011","29.0606","0.0003","17.5583","0.0002","90","","106.475","0.0012","90","","4991.05","0.1","150","1","150","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H36 Fe2 Mn2 N26 O4 S4 -","- C33 H36 Fe2 Mn2 N26 O4 S4 -","- C132 H144 Fe8 Mn8 N104 O16 S16 -","4","1","","Sasnovskaya, Valentina D.; Zorina, Leokadiya V.; Simonov, Sergey V.; Talantsev, Artem D.; Mikhailov, Artem A.; Kostin, Gennadiy A.; Yagubskii, Eduard B.","Cyano-bridged polynuclear coordination compounds derived from paramagnetic [Mn(H2daptsc)]2+ and photochromic [Fe(CN)5NO]2− building blocks","CrystEngComm","2021","23","14","2733","2745","10.1039/D0CE01863E","","x-ray","0.71073","MoKα","","0.0335","0.0273","","","0.0674","0.0703","","","","","","1.002","","","","has coordinates","265970","2021-06-05","18:13:12",""
"7242433","10.98926","0.00013","15.42554","0.00014","16.6133","0.0002","90","","108.952","0.0013","90","","2663.54","0.06","150","1","150","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 Fe Mn N13 O2 S2 -","- C18 H21 Fe Mn N13 O2 S2 -","- C72 H84 Fe4 Mn4 N52 O8 S8 -","4","1","","Sasnovskaya, Valentina D.; Zorina, Leokadiya V.; Simonov, Sergey V.; Talantsev, Artem D.; Mikhailov, Artem A.; Kostin, Gennadiy A.; Yagubskii, Eduard B.","Cyano-bridged polynuclear coordination compounds derived from paramagnetic [Mn(H2daptsc)]2+ and photochromic [Fe(CN)5NO]2− building blocks","CrystEngComm","2021","23","14","2733","2745","10.1039/D0CE01863E","","x-ray","0.71073","MoKα","","0.0256","0.0219","","","0.0541","0.0562","","","","","","1.003","","","","has coordinates","265970","2021-06-05","18:13:12",""
"7242434","10.9869","0.0003","12.0485","0.0004","13.7559","0.0005","115.833","0.004","91.587","0.003","100.906","0.003","1596.83","0.11","106","","106","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Br N Ni O6 S10 -","- C20 H31 Br N Ni O6 S10 -","- C40 H62 Br2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0572","0.0356","","","0.0703","0.0757","","","","","","0.994","","","","has coordinates,has disorder","265974","2021-06-05","18:14:55",""
"7242435","11.0467","0.0003","12.0603","0.0003","13.7505","0.0004","64.635","0.003","79.967","0.002","78.865","0.002","1615.5","0.09","193","","193","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Br N Ni O6 S10 -","- C20 H31 Br N Ni O6 S10 -","- C40 H62 Br2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0615","0.0375","","","0.0851","0.0918","","","","","","1.073","","","","has coordinates,has disorder","265974","2021-06-05","18:14:55",""
"7242436","11.0537","0.0003","12.0557","0.0003","13.7262","0.0004","64.89","0.003","80.331","0.002","78.815","0.002","1617.26","0.09","213","","213","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Br N Ni O6 S10 -","- C20 H31 Br N Ni O6 S10 -","- C40 H62 Br2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0724","0.0391","","","0.0818","0.0903","","","","","","1.039","","","","has coordinates,has disorder","265974","2021-06-05","18:14:55",""
"7242437","11.0165","0.0003","12.0569","0.0004","13.7786","0.0004","64.116","0.003","79.239","0.003","78.965","0.002","1605.03","0.09","153","","153","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Br N Ni O6 S10 -","- C20 H31 Br N Ni O6 S10 -","- C40 H62 Br2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0574","0.0337","","","0.0706","0.0762","","","","","","1.032","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242438","10.981","0.0003","12.0448","0.0003","13.7409","0.0004","115.825","0.003","91.535","0.002","100.927","0.002","1593.91","0.09","113","","113","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H29 Br N Ni O6 S10 -","- C20 H31 Br0.9999 N Ni O6 S10 -","- C40 H62 Br1.9998 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0508","0.0315","","","0.0677","0.0726","","","","","","1.016","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242439","11.0864","0.0003","12.0734","0.0003","13.7103","0.0004","65.253","0.003","80.773","0.003","78.66","0.002","1627.78","0.09","253","","253","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Br N Ni O6 S10 -","- C20 H31 Br1.0001 N Ni O6 S10 -","- C40 H62 Br2.0002 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0713","0.0377","","","0.0875","0.0967","","","","","","1.039","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242440","11.1022","0.0004","12.0838","0.0004","13.7055","0.0005","65.348","0.003","80.897","0.003","78.557","0.003","1632","0.11","273","","273","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H30 Br N Ni O6 S10 -","- C20 H30 Br N Ni O6 S10 -","- C40 H60 Br2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0828","0.0413","","","0.0922","0.1026","","","","","","1.02","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242441","11.1201","0.0005","12.1021","0.0005","13.7058","0.0007","65.393","0.005","80.958","0.004","78.454","0.004","1637.39","0.15","293","","293","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Br N Ni O6 S10 -","- C20 H31 Br0.9999 N Ni O6 S10 -","- C40 H62 Br1.9998 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0881","0.0431","","","0.0958","0.1082","","","","","","1.031","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242442","11.0117","0.0003","12.0652","0.0003","13.7791","0.0004","115.895","0.003","91.351","0.002","101.004","0.002","1604.69","0.09","133","","133","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Br N Ni O6 S10 -","- C20 H31 Br0.9999 N Ni O6 S10 -","- C40 H62 Br1.9998 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0537","0.0325","","","0.0677","0.0728","","","","","","1.026","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242443","11.0374","0.0003","12.0627","0.0003","13.7656","0.0004","64.349","0.003","79.574","0.002","78.92","0.002","1611.41","0.09","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Br N Ni O6 S10 -","- C20 H31 Br N Ni O6 S10 -","- C40 H62 Br2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0558","0.0333","","","0.069","0.0746","","","","","","1.039","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242444","11.076","0.0003","12.0662","0.0003","13.7164","0.0005","65.106","0.003","80.573","0.003","78.719","0.002","1623.84","0.09","233","","233","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Br N Ni O6 S10 -","- C20 H31 Br N Ni O6 S10 -","- C40 H62 Br2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0766","0.0405","","","0.0923","0.1033","","","","","","1.019","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242445","11.2167","0.0004","12.1808","0.0004","13.7373","0.0005","65.696","0.003","81.308","0.003","78.012","0.003","1668.72","0.11","373","","373","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Br N Ni O6 S10 -","- C20 H31 Br1.001 N Ni O6 S10 -","- C40 H62 Br2.002 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.1032","0.047","","","0.1118","0.1318","","","","","","1.008","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242446","11.211","0.0004","12.1703","0.0004","13.7456","0.0005","65.635","0.003","81.252","0.003","78.145","0.003","1667.21","0.11","353","","353","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Br N Ni O6 S10 -","- C20 H31 Br N Ni O6 S10 -","- C40 H62 Br2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.1044","0.0522","","","0.1284","0.151","","","","","","1.016","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242447","11.2193","0.0003","12.3191","0.0002","12.7473","0.0003","92.239","0.002","111.956","0.002","96.066","0.002","1618.98","0.07","113","","113","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Cl N Ni O6 S10 -","- C20 H31 Cl N Ni O6 S10 -","- C40 H62 Cl2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0501","0.0446","","","0.1268","0.1323","","","","","","1.077","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242448","11.2216","0.0003","12.3162","0.0003","12.7541","0.0003","92.155","0.002","111.864","0.002","96.1","0.002","1620.96","0.07","133","","133","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Cl N Ni O6 S10 -","- C20 H31 Cl N Ni O6 S10 -","- C40 H62 Cl2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0476","0.0419","","","0.1168","0.1216","","","","","","1.056","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242449","11.2637","0.0002","12.342","0.0001","12.8337","0.0002","91.372","0.001","110.996","0.001","96.45","0.001","1651.13","0.04","213","","213","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Cl N Ni O6 S10 -","- C20 H31 Cl N Ni O6 S10 -","- C40 H62 Cl2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","1.54184","CuKα","","0.0327","0.031","","","0.0815","0.0831","","","","","","1.034","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242450","11.2714","0.0001","12.3406","0.0001","12.8452","0.0001","91.241","0.001","110.823","0.001","96.452","0.001","1655.78","0.03","233","","233","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Cl N Ni O6 S10 -","- C20 H31 Cl N Ni O6 S10 -","- C40 H62 Cl2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","1.54184","CuKα","","0.0337","0.0319","","","0.084","0.0854","","","","","","1.054","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242451","11.2107","0.0003","12.315","0.0002","12.7451","0.0003","92.2792","0.0018","112.126","0.002","96.0601","0.0018","1614.84","0.07","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Cl N Ni O6 S10 -","- C20 H31 Cl N Ni O6 S10 -","- C40 H62 Cl2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0608","0.0495","","","0.1395","0.1478","","","","","","1.098","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242452","11.3244","0.0005","12.3495","0.0004","12.9385","0.0006","90.918","0.003","110.128","0.004","96.018","0.003","1686.95","0.13","353","","353","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Cl N Ni O6 S10 -","- C20 H31 Cl N Ni O6 S10 -","- C40 H62 Cl2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0976","0.0559","","","0.1553","0.191","","","","","","0.916","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242453","11.1865","0.0005","12.1459","0.0005","13.7395","0.0006","65.63","0.004","81.204","0.004","78.269","0.004","1659.95","0.14","333","","333","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Br N Ni O6 S10 -","- C20 H31 Br1.001 N Ni O6 S10 -","- C40 H62 Br2.002 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0879","0.045","","","0.1086","0.1248","","","","","","1.027","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242454","11.3149","0.0003","12.3589","0.0003","12.909","0.0003","90.9686","0.0019","110.34","0.002","96.269","0.002","1679.59","0.08","313","","313","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Cl N Ni O6 S10 -","- C20 H31 Cl N Ni O6 S10 -","- C40 H62 Cl2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0565","0.0389","","","0.115","0.1287","","","","","","0.996","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242455","11.2452","0.0002","12.3442","0.0002","12.8113","0.0002","91.832","0.001","111.431","0.001","96.243","0.001","1640.65","0.05","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Cl N Ni O6 S10 -","- C20 H31 Cl N Ni O6 S10 -","- C40 H62 Cl2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","1.54184","CuKα","","0.0367","0.0354","","","0.0998","0.1011","","","","","","1.027","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242456","11.3571","0.0002","12.3603","0.0002","12.9511","0.0003","90.864","0.002","109.988","0.002","95.958","0.002","1696.81","0.06","373","","373","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Cl N Ni O6 S10 -","- C20 H31 Cl N Ni O6 S10 -","- C40 H62 Cl2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0615","0.0398","","","0.1234","0.1397","","","","","","0.975","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242457","11.2803","0.0003","12.3375","0.0002","12.8611","0.0003","91.103","0.002","110.634","0.002","96.375","0.002","1661.43","0.07","273","","273","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Cl N Ni O6 S10 -","- C20 H31 Cl N Ni O6 S10 -","- C40 H62 Cl2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0565","0.0389","","","0.1292","0.1449","","","","","","1.015","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242458","11.2185","0.0003","12.3084","0.0003","12.7536","0.0003","92.083","0.002","111.733","0.002","96.128","0.002","1621.02","0.07","153","","153","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Cl N Ni O6 S10 -","- C20 H31 Cl N Ni O6 S10 -","- C40 H62 Cl2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0546","0.0438","","","0.1218","0.1293","","","","","","1.068","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242459","11.3046","0.0005","12.3319","0.0004","12.9008","0.0006","90.991","0.003","110.208","0.004","96.173","0.003","1675.11","0.13","333","","333","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Cl N Ni O6 S10 -","- C20 H31 Cl N Ni O6 S10 -","- C40 H62 Cl2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0751","0.0516","","","0.142","0.1641","","","","","","0.986","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242460","11.1694","0.0004","12.1413","0.0004","13.7408","0.0006","65.543","0.004","81.123","0.003","78.362","0.003","1656.09","0.12","313","","313","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Br N Ni O6 S10 -","- C20 H31 Br N Ni O6 S10 -","- C40 H62 Br2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0783","0.0416","","","0.0958","0.1076","","","","","","1.049","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242461","11.2784","0.0001","12.346","0.0001","12.8619","0.0001","91.145","0.001","110.678","0.001","96.422","0.001","1661.63","0.03","253","","253","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Cl N Ni O6 S10 -","- C20 H31 Cl N Ni O6 S10 -","- C40 H62 Cl2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","1.54184","CuKα","","0.029","0.0271","","","0.0763","0.0776","","","","","","1.054","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242462","11.2892","0.0003","12.3438","0.0003","12.8805","0.0003","91.047","0.002","110.467","0.002","96.326","0.002","1668.26","0.08","293","","293","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H30 Cl N Ni O6 S10 -","- C20 H31 Cl N Ni O6 S10 -","- C40 H62 Cl2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0528","0.0366","","","0.1064","0.1176","","","","","","1.015","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242463","11.25474","0.00018","12.34881","0.00018","12.82304","0.00017","91.7415","0.0011","111.291","0.0014","96.3016","0.0012","1645.75","0.05","193","","193","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Cl N Ni O6 S10 -","- C20 H31 Cl N Ni O6 S10 -","- C40 H62 Cl2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0445","0.0347","","","0.091","0.0965","","","","","","1.084","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242464","11.1765","0.0004","12.2812","0.0003","12.6527","0.0004","87.364","0.002","68.465","0.003","80.094","0.002","1591.12","0.09","113","","113","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H32 N Ni O6 S10 -","- C20 H32 N Ni O6 S10 -","- C40 H64 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0427","0.0357","","","0.0936","0.0981","","","","","","1.05","","","","has coordinates","265974","2021-06-05","18:14:56",""
"7242465","10.4363","0.0003","12.637","0.0004","12.9511","0.0004","70.974","0.003","79.852","0.002","80.316","0.002","1578.17","0.09","213","","213","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 F N Ni O6 S10 -","- C20 H31 F N Ni O6 S10 -","- C40 H62 F2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0466","0.0336","","","0.0838","0.0897","","","","","","1.05","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242466","10.4067","0.0003","12.6314","0.0005","12.9479","0.0004","70.517","0.003","79.892","0.002","80.138","0.003","1567.96","0.1","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C19.98 H31 F0.98 N Ni O6 S10 -","- C20 H31 F N Ni O6 S10 -","- C40 H62 F2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0461","0.0348","","","0.086","0.0915","","","","","","1.067","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242467","10.4883","0.0002","12.6467","0.0003","12.9675","0.0003","71.543","0.002","79.792","0.002","80.656","0.002","1595.3","0.06","273","","273","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 F N Ni O6 S10 -","- C20 H31 F N Ni O6 S10 -","- C40 H62 F2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0565","0.0357","","","0.1154","0.1327","","","","","","0.87","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242468","10.3645","0.0003","12.6254","0.0005","12.9123","0.0004","69.835","0.003","79.972","0.003","79.948","0.003","1549.82","0.1","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 F N Ni O6 S10 -","- C20 H31 F N Ni O6 S10 -","- C40 H62 F2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0419","0.0329","","","0.1016","0.1117","","","","","","0.782","","","","has coordinates","265974","2021-06-05","18:14:56",""
"7242469","10.3864","0.0002","12.6343","0.0005","12.9338","0.0005","69.944","0.003","79.973","0.003","79.97","0.003","1557.9","0.1","113","","113","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 F N Ni O6 S10 -","- C20 H31 F N Ni O6 S10 -","- C40 H62 F2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0434","0.0329","","","0.0807","0.0857","","","","","","1.055","","","","has coordinates","265974","2021-06-05","18:14:56",""
"7242470","10.5115","0.0003","12.6531","0.0004","12.9821","0.0003","71.701","0.002","79.787","0.002","80.782","0.002","1603.24","0.08","293","","293","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 F N Ni O6 S10 -","- C20 H31 F N Ni O6 S10 -","- C40 H62 F2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0525","0.0336","","","0.0801","0.0867","","","","","","1.055","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242471","10.3994","0.0003","12.6286","0.0005","12.9431","0.0004","70.317","0.003","79.956","0.002","80.078","0.003","1564.1","0.1","153","","153","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 F N Ni O6 S10 -","- C20 H31 F N Ni O6 S10 -","- C40 H62 F2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0425","0.0333","","","0.0832","0.0879","","","","","","1.072","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242472","10.3884","0.0003","12.6271","0.0004","12.9344","0.0004","70.113","0.003","79.966","0.002","80.068","0.002","1559.3","0.09","113","","113","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 F N Ni O6 S10 -","- C20 H31 F N Ni O6 S10 -","- C40 H62 F2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0504","0.0383","","","0.0902","0.0961","","","","","","1.011","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242473","10.4754","0.0003","12.6503","0.0004","12.9637","0.0004","71.385","0.003","79.802","0.002","80.55","0.002","1591.61","0.09","253","","253","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 F N Ni O6 S10 -","- C20 H31 F N Ni O6 S10 -","- C40 H62 F2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0509","0.0343","","","0.081","0.0872","","","","","","1.047","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242474","10.4204","0.0003","12.6319","0.0004","12.9511","0.0004","70.735","0.003","79.898","0.002","80.25","0.002","1572.9","0.09","193","","193","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 F N Ni O6 S10 -","- C20 H31 F N Ni O6 S10 -","- C40 H62 F2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.057","0.0414","","","0.1011","0.1094","","","","","","1.016","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242475","10.452","0.0003","12.6374","0.0004","12.9527","0.0004","71.178","0.003","79.806","0.002","80.408","0.002","1582.77","0.09","233","","233","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 F N Ni O6 S10 -","- C20 H31 F N Ni O6 S10 -","- C40 H62 F2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0485","0.0335","","","0.0804","0.0864","","","","","","1.044","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242476","11.2486","0.0006","12.354","0.0008","12.7375","0.0008","87.498","0.005","69.343","0.006","80.758","0.005","1634.61","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H32 N Ni O6 S10 -","- C20 H32 N Ni O6 S10 -","- C40 H64 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","","0.71073","MoKα","","0.0535","0.0365","","","0.0945","0.102","","","","","","1.051","","","","has coordinates","265974","2021-06-05","18:14:56",""
"7242477","10.5742","0.0007","12.6426","0.0007","13.0305","0.0011","72.446","0.006","79.808","0.006","81.42","0.005","1626.1","0.2","373","","373","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 F N Ni O6 S10 -","- C20 H31 F N Ni O6 S10 -","- C40 H62 F2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0887","0.0514","","","0.1505","0.177","","","","","","0.911","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242478","10.5377","0.0003","12.6697","0.0003","13.0079","0.0004","71.903","0.002","79.822","0.002","80.956","0.002","1615.05","0.08","313","","313","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 F N Ni O6 S10 -","- C20 H31 F N Ni O6 S10 -","- C40 H62 F2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0532","0.0354","","","0.0855","0.0938","","","","","","1.042","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242479","10.5475","0.0003","12.6632","0.0003","13.0124","0.0004","72.091","0.003","79.842","0.003","81.154","0.002","1618.65","0.08","333","","333","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 F N Ni O6 S10 -","- C20 H31 F N Ni O6 S10 -","- C40 H62 F2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0578","0.0383","","","0.0986","0.1077","","","","","","1.077","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242480","10.5673","0.0004","12.6724","0.0004","13.0358","0.0006","72.219","0.004","79.801","0.004","81.293","0.003","1627.17","0.12","353","","353","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 F N Ni O6 S10 -","- C20 H31 F N Ni O6 S10 -","- C40 H62 F2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.071","0.0459","","","0.1373","0.1559","","","","","","0.911","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242481","6.8191","0.0003","6.8191","0.0003","12.7035","0.0011","90","","90","","120","","511.57","0.05","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- H6 Na3 O27 S6 Y3 -","- H6 Na3 O27 S6 Y3 -","- H6 Na3 O27 S6 Y3 -","1","0.166667","","Wu, Chao; Lin, Lin; Wu, Tianhui; Huang, Zhipeng; Zhang, Chi","Deep-ultraviolet transparent alkali metal‒rare earth metal sulfate NaY(SO4)2·H2O as a nonlinear optical crystal: synthesis and characterization","CrystEngComm","2021","23","16","2945","2951","10.1039/D1CE00226K","","","0.71073","MoKα","","0.017","0.0157","","","0.0385","0.0389","","","","","","1.061","","","","has coordinates","265960","2021-06-05","18:11:32",""
"7242491","21.893","0.008","9.298","0.004","11.082","0.004","90.07","0.005","92.648","0.005","92.006","0.006","2252.1","1.5","123","2","123","2","","","","","","","","4","P -1","-P 1","2","Diphenhydramine citrate salt","2-(Benzhydryloxy)-N,N-dimethylethanamine 2-hydroxypropane-1,2,3-tricarboxylate","","- C23 H29 N O8 -","- C23 H29 N O8 -","- C92 H116 N4 O32 -","4","2","","Wang, Kunlin; Wang, Chenguang; Mishra, Manish Kumar; Young, Victor G.; Sun, Changquan Calvin","Reversible facile single-crystal-to-single-crystal polymorphic transition accompanied by unit cell volume expansion and twinning","CrystEngComm","2021","23","14","2648","2653","10.1039/D1CE00055A","","","0.71073","MoKα","","0.0861","0.0542","","","0.1157","0.1278","","","","","","1.033","","","","has coordinates","265971","2021-06-05","18:13:23",""
"7242492","21.229","0.003","9.6695","0.0009","11.1075","0.001","90","","91.327","0.004","90","","2279.5","0.4","218","2","218","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Diphenhydramine citrate salt","2-(Benzhydryloxy)-N,N-dimethylethanamine 2-hydroxypropane-1,2,3-tricarboxylate","","- C23 H29 N O8 -","- C23 H29 N O8 -","- C92 H116 N4 O32 -","4","1","","Wang, Kunlin; Wang, Chenguang; Mishra, Manish Kumar; Young, Victor G.; Sun, Changquan Calvin","Reversible facile single-crystal-to-single-crystal polymorphic transition accompanied by unit cell volume expansion and twinning","CrystEngComm","2021","23","14","2648","2653","10.1039/D1CE00055A","","","0.71073","MoKα","","0.054","0.0432","","","0.1075","0.1159","","","","","","1.027","","","","has coordinates","265971","2021-06-05","18:13:23",""
"7242493","21.833","0.019","9.359","0.007","11.086","0.009","90.328","0.017","92.39","0.02","91.79","0.02","2262","3","148","2","148","2","","","","","","","","4","P -1","-P 1","2","Diphenhydramine citrate salt","2-(Benzhydryloxy)-N,N-dimethylethanamine 2-hydroxypropane-1,2,3-tricarboxylate","","- C23 H29 N O8 -","- C23 H29 N O8 -","- C92 H116 N4 O32 -","4","2","","Wang, Kunlin; Wang, Chenguang; Mishra, Manish Kumar; Young, Victor G.; Sun, Changquan Calvin","Reversible facile single-crystal-to-single-crystal polymorphic transition accompanied by unit cell volume expansion and twinning","CrystEngComm","2021","23","14","2648","2653","10.1039/D1CE00055A","","","0.71073","MoKα","","0.1762","0.1363","","","0.3543","0.3834","","","","","","0.965","","","","has coordinates","265971","2021-06-05","18:13:23",""
"7242494","9.2129","0.0009","9.9156","0.001","17.7795","0.0018","80.589","0.003","77.092","0.003","64.355","0.003","1423.1","0.2","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H31 N11 O5 S2 Zn2 -","- C18 H31 N11 O5 S2 Zn2 -","- C36 H62 N22 O10 S4 Zn4 -","2","1","","Mondal, Ipsita; Frontera, Antonio; Chattopadhyay, Shouvik","On the importance of RH3C⋯N tetrel bonding interactions in the solid state of a dinuclear zinc complex with a tetradentate Schiff base ligand","CrystEngComm","2021","23","18","3391","3397","10.1039/D0CE01864C","","","0.71073","MoKα","","0.0322","0.028","","","0.0718","0.0751","","","","","","1.05","","","","has coordinates,has disorder","265984","2021-06-05","18:18:31",""
"7242495","12.6045","0.0005","27.3658","0.001","20.1424","0.0007","90","","91.799","0.001","90","","6944.3","0.4","120","2","119.98","","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C106 H150 B8 Cu4 F8 Fe2 N32 O15 S6 W2 -","- C106 H150 B8 Cu4 F8 Fe2 N32 O15 S6 W2 -","- C212 H300 B16 Cu8 F16 Fe4 N64 O30 S12 W4 -","2","0.5","","Li, Jie; Tan, Yi; Cao, Chen; Wang, Zhi-Kang; Niu, Zheng; Song, Ying-Lin; Lang, Jian-Ping","One-dimensional and two-dimensional coordination polymers from cluster modular construction","CrystEngComm","2021","23","17","3160","3166","10.1039/D1CE00206F","","","0.71073","MoKα","","0.0761","0.0547","","","0.1447","0.1599","","","","","","1.117","","","","has coordinates,has disorder","265947","2021-06-05","18:08:32",""
"7242496","22.8904","0.0007","22.8904","0.0007","27.7745","0.0009","90","","90","","120","","12603.3","0.7","150","2","150.02","","","","","","","","","9","P -3 c 1","-P 3 2""c","165","","","","- C114 H140 B8 Cu6 Fe3 N36 O26 S8 W2 -","- C114 H140 B8 Cu6 Fe3 N36 O26 S8 W2 -","- C228 H280 B16 Cu12 Fe6 N72 O52 S16 W4 -","2","0.166667","","Li, Jie; Tan, Yi; Cao, Chen; Wang, Zhi-Kang; Niu, Zheng; Song, Ying-Lin; Lang, Jian-Ping","One-dimensional and two-dimensional coordination polymers from cluster modular construction","CrystEngComm","2021","23","17","3160","3166","10.1039/D1CE00206F","","","0.71073","MoKα","","0.1048","0.0689","","","0.2023","0.2535","","","","","","1.172","","","","has coordinates,has disorder","265947","2021-06-05","18:08:41",""
"7242497","22.3221","0.0006","11.774","0.0003","16.2459","0.0004","90","","90.15","0.001","90","","4269.74","0.19","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H44 Dy N4 Na O10 -","- C46 H44 Dy N4 Na O10 -","- C184 H176 Dy4 N16 Na4 O40 -","4","1","","Wang, Hui-Sheng; Zhang, Ke; Wang, Jia; Hu, Zhaobo; Song, You; Zhang, Zaichao; Pan, Zhi-Quan","Regulating the distortion degree of the square antiprism coordination geometry in Dy‒Na single ion magnets","CrystEngComm","2021","23","17","3175","3184","10.1039/D1CE00146A","","","0.71073","MoKα","","0.0964","0.0471","","","0.0881","0.1019","","","","","","1.085","","","","has coordinates","265940","2021-06-05","18:07:15",""
"7242498","10.9971","0.0004","29.7015","0.001","14.676","0.0004","90","","111.441","0.001","90","","4461.9","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H44 Dy N5 Na2 O13 -","- C46 H44 Dy N5 Na2 O13 -","- C184 H176 Dy4 N20 Na8 O52 -","4","1","","Wang, Hui-Sheng; Zhang, Ke; Wang, Jia; Hu, Zhaobo; Song, You; Zhang, Zaichao; Pan, Zhi-Quan","Regulating the distortion degree of the square antiprism coordination geometry in Dy‒Na single ion magnets","CrystEngComm","2021","23","17","3175","3184","10.1039/D1CE00146A","","","0.71073","MoKα","","0.0553","0.0349","","","0.0712","0.0765","","","","","","1.024","","","","has coordinates","265940","2021-06-05","18:07:16",""
"7242505","9.533","0.0003","9.6406","0.0003","11.2374","0.0004","73.591","0.003","89.342","0.003","70.111","0.003","927.5","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H18 Mn N2 O8 -","- C18 H18 Mn N2 O8 -","- C36 H36 Mn2 N4 O16 -","2","1","","Yin, Meng-Ru; Yan, Qing-Qing; Li, Bin; Yong, Guo-Ping","1D ladder and 2D bilayer coordination polymers constructed from a new T-shaped ligand: luminescence, magnetic and CO2 gas adsorption properties","CrystEngComm","2021","23","17","3196","3203","10.1039/D1CE00257K","","","1.54184","CuKα","","0.0429","0.0422","","","0.1181","0.1188","","","","","","1.052","","","","has coordinates","265946","2021-06-05","18:08:12",""
"7242506","20.5062","0.0003","6.4692","0.0001","27.8762","0.0003","90","","95.957","0.001","90","","3678.05","0.09","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H24 Cd2 Cl2 N4 O9 -","- C36 H23 Cd2 Cl2 N4 O9 -","- C144 H92 Cd8 Cl8 N16 O36 -","4","0.5","","Yin, Meng-Ru; Yan, Qing-Qing; Li, Bin; Yong, Guo-Ping","1D ladder and 2D bilayer coordination polymers constructed from a new T-shaped ligand: luminescence, magnetic and CO2 gas adsorption properties","CrystEngComm","2021","23","17","3196","3203","10.1039/D1CE00257K","","","0.71073","MoKα","","0.0446","0.0431","","","0.1295","0.1311","","","","","","1.065","","","","has coordinates","265946","2021-06-05","18:08:12",""
"7242507","6.3178","0.0002","19.3847","0.0008","27.9152","0.0011","90","","90","","90","","3418.7","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H12 Co N2 O5 -","- C18 H12 Co N2 O5 -","- C144 H96 Co8 N16 O40 -","8","1","","Yin, Meng-Ru; Yan, Qing-Qing; Li, Bin; Yong, Guo-Ping","1D ladder and 2D bilayer coordination polymers constructed from a new T-shaped ligand: luminescence, magnetic and CO2 gas adsorption properties","CrystEngComm","2021","23","17","3196","3203","10.1039/D1CE00257K","","","1.54184","CuKα","","0.0889","0.0627","","","0.1516","0.171","","","","","","1.109","","","","has coordinates","265946","2021-06-05","18:08:12",""
"7242508","18.542","0.004","14.847","0.003","27.876","0.006","90","","90","","90","","7674","3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H28 N4 Ni2 O12 -","- C36 H28 N4 Ni2 O12 -","- C288 H224 N32 Ni16 O96 -","8","1","","Yin, Meng-Ru; Yan, Qing-Qing; Li, Bin; Yong, Guo-Ping","1D ladder and 2D bilayer coordination polymers constructed from a new T-shaped ligand: luminescence, magnetic and CO2 gas adsorption properties","CrystEngComm","2021","23","17","3196","3203","10.1039/D1CE00257K","","","0.71073","MoKα","","0.0512","0.0491","","","0.1611","0.1641","","","","","","1.021","","","","has coordinates","265946","2021-06-05","18:08:12",""
"7242509","5.7323","0.0003","9.019","0.0005","17.3597","0.001","90","","90","","90","","897.49","0.09","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C3 H6 O3 -","- C3 H6 O3 -","- C24 H48 O24 -","8","2","","Yang, Jingxiang; Hu, Chunhua T.; Reiter, Ethan; Kahr, Bart","Ambient l-lactic acid crystal polymorphism","CrystEngComm","2021","23","14","2644","2647","10.1039/D1CE00285F","","","0.71073","MoKα","","0.0304","0.0283","","","0.0707","0.0717","","","","","","1.051","","","","has coordinates","265977","2021-06-05","18:15:59",""
"7242510","5.4954","0.0004","8.4298","0.0005","9.3517","0.0006","90","","90","","90","","433.22","0.05","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C3 H6 O3 -","- C3 H6 O3 -","- C12 H24 O12 -","4","1","","Yang, Jingxiang; Hu, Chunhua T.; Reiter, Ethan; Kahr, Bart","Ambient l-lactic acid crystal polymorphism","CrystEngComm","2021","23","14","2644","2647","10.1039/D1CE00285F","","","0.71073","MoKα","","0.0254","0.0253","","","0.0707","0.0708","","","","","","1.059","","","","has coordinates","265977","2021-06-05","18:15:59",""
"7242511","5.759","0.003","5.772","0.003","12.492","0.007","90","","90","","90","","415.2","0.4","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C3 H6 O3 -","- C3 H6 O3 -","- C12 H24 O12 -","4","1","","Yang, Jingxiang; Hu, Chunhua T.; Reiter, Ethan; Kahr, Bart","Ambient l-lactic acid crystal polymorphism","CrystEngComm","2021","23","14","2644","2647","10.1039/D1CE00285F","","","0.71073","MoKα","","0.0614","0.0493","","","0.1184","0.1226","","","","","","1.063","","","","has coordinates","265977","2021-06-05","18:15:59",""
"7242515","45.506","0.009","9.888","0.002","8.1578","0.0016","90","","93.89","0.03","90","","3662.3","1.3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H30 Cl2 Fe2 Mn N0 O7 -","- C34 H30 Cl2 Fe2 Mn O7 -","- C136 H120 Cl8 Fe8 Mn4 O28 -","4","0.5","","Khan, Misbha Rafiq; Niu, Xiaoge; Chen, Tianling; Liu, Yan; Liu, Zhongyi; Liu, Bin; Zhang, Yuxia; Li, Jinpeng","Structural diversity and magnetic properties of six ferrocenyl monocarboxylate Mn(ii), Ni(ii) and Co(ii) complexes with 1D aqua, carboxyl or dinuclear hydroxyl bridges","CrystEngComm","2021","23","17","3185","3195","10.1039/D1CE00189B","","","0.71073","MoKα","","0.0803","0.0733","","","0.194","0.2014","","","","","","1.287","","","","has coordinates","265945","2021-06-05","18:08:01",""
"7242516","42.625","0.008","10.241","0.002","8.9462","0.0018","90","","94.72","0.03","90","","3892","1.3","293.15","","293.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C46 H32 Cl2 Fe2 Mn N2 O4 -","- C46 H32 Cl2 Fe2 Mn N2 O4 -","- C184 H128 Cl8 Fe8 Mn4 N8 O16 -","4","0.5","","Khan, Misbha Rafiq; Niu, Xiaoge; Chen, Tianling; Liu, Yan; Liu, Zhongyi; Liu, Bin; Zhang, Yuxia; Li, Jinpeng","Structural diversity and magnetic properties of six ferrocenyl monocarboxylate Mn(ii), Ni(ii) and Co(ii) complexes with 1D aqua, carboxyl or dinuclear hydroxyl bridges","CrystEngComm","2021","23","17","3185","3195","10.1039/D1CE00189B","","","0.71073","MoKα","","0.113","0.0532","","","0.081","0.103","","","","","","1.016","","","","has coordinates,has disorder","265945","2021-06-05","18:08:01",""
"7242517","45.368","0.009","9.959","0.002","8.0659","0.0016","90","","94.54","0.03","90","","3632.9","1.3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H26 Cl2 Fe2 N0 Ni O7 -","- C34 H26 Cl2 Fe2 Ni O7 -","- C136 H104 Cl8 Fe8 Ni4 O28 -","4","0.5","","Khan, Misbha Rafiq; Niu, Xiaoge; Chen, Tianling; Liu, Yan; Liu, Zhongyi; Liu, Bin; Zhang, Yuxia; Li, Jinpeng","Structural diversity and magnetic properties of six ferrocenyl monocarboxylate Mn(ii), Ni(ii) and Co(ii) complexes with 1D aqua, carboxyl or dinuclear hydroxyl bridges","CrystEngComm","2021","23","17","3185","3195","10.1039/D1CE00189B","","","0.71073","MoKα","","0.094","0.0697","","","0.1776","0.1999","","","","","","0.934","","","","has coordinates","265945","2021-06-05","18:08:01",""
"7242518","10.381","0.002","11.074","0.002","13.337","0.003","96.62","0.03","95.19","0.03","92.49","0.03","1514.5","0.5","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C60 H46 Cl2 F4 Fe2 N12 Ni2 O6 -","- C60 H46 Cl2 F4 Fe2 N12 Ni2 O6 -","- C60 H46 Cl2 F4 Fe2 N12 Ni2 O6 -","1","0.5","","Khan, Misbha Rafiq; Niu, Xiaoge; Chen, Tianling; Liu, Yan; Liu, Zhongyi; Liu, Bin; Zhang, Yuxia; Li, Jinpeng","Structural diversity and magnetic properties of six ferrocenyl monocarboxylate Mn(ii), Ni(ii) and Co(ii) complexes with 1D aqua, carboxyl or dinuclear hydroxyl bridges","CrystEngComm","2021","23","17","3185","3195","10.1039/D1CE00189B","","","0.71073","MoKα","","0.0659","0.0472","","","0.0812","0.089","","","","","","1.079","","","","has coordinates","265945","2021-06-05","18:08:01",""
"7242519","45.267","0.009","9.929","0.002","8.0513","0.0016","90","","94.33","0.03","90","","3608.4","1.3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H24 Cl2 Co Fe2 N0 O7 -","- C34 H24 Cl2 Co Fe2 O7 -","- C136 H96 Cl8 Co4 Fe8 O28 -","4","0.5","","Khan, Misbha Rafiq; Niu, Xiaoge; Chen, Tianling; Liu, Yan; Liu, Zhongyi; Liu, Bin; Zhang, Yuxia; Li, Jinpeng","Structural diversity and magnetic properties of six ferrocenyl monocarboxylate Mn(ii), Ni(ii) and Co(ii) complexes with 1D aqua, carboxyl or dinuclear hydroxyl bridges","CrystEngComm","2021","23","17","3185","3195","10.1039/D1CE00189B","","","0.71073","MoKα","","0.0714","0.0664","","","0.1662","0.1727","","","","","","1.003","","","","has coordinates","265945","2021-06-05","18:08:01",""
"7242520","10.349","0.002","11.287","0.002","13.426","0.003","96.99","0.03","94.89","0.03","92.12","0.03","1549.2","0.5","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C60 H46 Cl2 Co2 F4 Fe2 N12 O6 -","- C60 H46 Cl2 Co2 F4 Fe2 N12 O6 -","- C60 H46 Cl2 Co2 F4 Fe2 N12 O6 -","1","0.5","","Khan, Misbha Rafiq; Niu, Xiaoge; Chen, Tianling; Liu, Yan; Liu, Zhongyi; Liu, Bin; Zhang, Yuxia; Li, Jinpeng","Structural diversity and magnetic properties of six ferrocenyl monocarboxylate Mn(ii), Ni(ii) and Co(ii) complexes with 1D aqua, carboxyl or dinuclear hydroxyl bridges","CrystEngComm","2021","23","17","3185","3195","10.1039/D1CE00189B","","","0.71073","MoKα","","0.073","0.061","","","0.1628","0.1758","","","","","","0.895","","","","has coordinates","265945","2021-06-05","18:08:01",""
"7242521","9.33","0.002","10.12","0.003","12.688","0.003","101.561","0.008","90.354","0.01","98.996","0.008","1158.4","0.5","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 Cd N2 O6 -","- C26 H20 Cd N2 O6 -","- C52 H40 Cd2 N4 O12 -","2","1","","Yang, Fan; Li, Ni Ya; Ge, Ye; Liu, Dong","Single-crystal to single-crystal transformation of a coordination chain to a two-dimensional coordination network through a photocycloaddition reaction","CrystEngComm","2021","23","15","2783","2787","10.1039/D1CE00230A","","","0.71073","MoKα","","0.0223","0.0202","","","0.0521","0.0533","","","","","","1.064","","","","has coordinates","264896","2021-05-05","08:29:27",""
"7242522","9.353","0.006","10.076","0.006","12.911","0.008","97.09","0.02","96.377","0.019","100.882","0.016","1174.4","1.3","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 Cd N2 O6 -","- C26 H20 Cd N2 O6 -","- C52 H40 Cd2 N4 O12 -","2","1","","Yang, Fan; Li, Ni Ya; Ge, Ye; Liu, Dong","Single-crystal to single-crystal transformation of a coordination chain to a two-dimensional coordination network through a photocycloaddition reaction","CrystEngComm","2021","23","15","2783","2787","10.1039/D1CE00230A","","","0.71073","MoKα","","0.0393","0.0315","","","0.0626","0.0649","","","","","","1.121","","","","has coordinates","264896","2021-05-05","08:29:27",""
"7242523","9.6073","0.0002","10.1391","0.0003","11.8289","0.0003","98.77","0.002","112.985","0.002","106.117","0.002","973.74","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Cp-1","1","","- C21 H19 N3 O6 Zn -","- C21 H19 N3 O6 Zn -","- C42 H38 N6 O12 Zn2 -","2","1","","Sun, Shuang-Li; Sun, Xi-Yu; Sun, Qian; Gao, En-Qing","Highly efficient fluorescent chemosensor for nitro antibiotic detection based on luminescent coordination polymers with 2,6-di(4-carboxyphenyl)pyrazine","CrystEngComm","2021","23","17","3167","3174","10.1039/D1CE00245G","","","1.54184","CuKα","","0.0305","0.0301","","","0.0789","0.0792","","","","","","1.068","","","","has coordinates","265943","2021-06-05","18:07:43",""
"7242524","9.5717","0.0005","10.0806","0.0004","11.8057","0.0006","99.281","0.004","112.617","0.005","105.83","0.004","965.12","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H19 Co N3 O6 -","- C21 H19 Co N3 O6 -","- C42 H38 Co2 N6 O12 -","2","1","","Sun, Shuang-Li; Sun, Xi-Yu; Sun, Qian; Gao, En-Qing","Highly efficient fluorescent chemosensor for nitro antibiotic detection based on luminescent coordination polymers with 2,6-di(4-carboxyphenyl)pyrazine","CrystEngComm","2021","23","17","3167","3174","10.1039/D1CE00245G","","","1.54184","CuKα","","0.0651","0.062","","","0.1693","0.1713","","","","","","1.063","","","","has coordinates","265943","2021-06-05","18:07:43",""
"7242525","9.5406","0.0003","10.0775","0.0003","11.9021","0.0004","100.467","0.003","112.109","0.003","104.281","0.003","978.23","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H19 Mn N3 O6 -","- C21 H19 Mn N3 O6 -","- C42 H38 Mn2 N6 O12 -","2","1","","Sun, Shuang-Li; Sun, Xi-Yu; Sun, Qian; Gao, En-Qing","Highly efficient fluorescent chemosensor for nitro antibiotic detection based on luminescent coordination polymers with 2,6-di(4-carboxyphenyl)pyrazine","CrystEngComm","2021","23","17","3167","3174","10.1039/D1CE00245G","","","1.54184","CuKα","","0.0354","0.0345","","","0.0965","0.0971","","","","","","1.156","","","","has coordinates","265943","2021-06-05","18:07:43",""
"7242537","5.6819","0.0005","7.7529","0.0007","14.9654","0.0012","93.713","0.003","97.789","0.003","95.423","0.003","648.22","0.1","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H12 F O2 -","- C16 H12 F2 O -","- C32 H24 F4 O2 -","2","1","","Shu, Yuanhong; Ye, Kaiqi; Yue, Yuan; Sun, Jingbo; Wang, Haoran; Zhong, Jiangbin; Yang, Xiqiao; Gao, Hongqiang; Lu, Ran","Fluorine as a robust balancer for tuning the reactivity of topo-photoreactions of chalcones and the photomechanical effects of molecular crystals","CrystEngComm","2021","23","34","5856","5868","10.1039/D1CE00086A","","","0.71073","MoKα","","0.1175","0.056","","","0.1084","0.1353","","","","","","1.021","","","","has coordinates,has disorder","268695","2021-09-06","10:34:10",""
"7242538","12.4423","0.0004","24.3784","0.0008","8.8538","0.0003","90","","114.025","0.001","90","","2452.91","0.14","100","","100","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C30 H18 Cl2 F0.25 O6 -","- C30 H18 Cl2 F4 O2 -","- C120 H72 Cl8 F16 O8 -","4","1","","Shu, Yuanhong; Ye, Kaiqi; Yue, Yuan; Sun, Jingbo; Wang, Haoran; Zhong, Jiangbin; Yang, Xiqiao; Gao, Hongqiang; Lu, Ran","Fluorine as a robust balancer for tuning the reactivity of topo-photoreactions of chalcones and the photomechanical effects of molecular crystals","CrystEngComm","2021","23","34","5856","5868","10.1039/D1CE00086A","","","0.71073","MoKα","","0.0326","0.0294","","","0.0702","0.0726","","","","","","1.049","","","","has coordinates","268695","2021-09-06","10:34:10",""
"7242539","13.6767","0.0005","8.6874","0.0003","11.331","0.0004","90","","107.084","0.001","90","","1286.89","0.08","116","2","116.06","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C32 H22 F6 O2 -","- C32 H22 F6 O2 -","- C64 H44 F12 O4 -","2","1","","Shu, Yuanhong; Ye, Kaiqi; Yue, Yuan; Sun, Jingbo; Wang, Haoran; Zhong, Jiangbin; Yang, Xiqiao; Gao, Hongqiang; Lu, Ran","Fluorine as a robust balancer for tuning the reactivity of topo-photoreactions of chalcones and the photomechanical effects of molecular crystals","CrystEngComm","2021","23","34","5856","5868","10.1039/D1CE00086A","","","0.71073","MoKα","","0.0559","0.0542","","","0.1156","0.1162","","","","","","1.271","","","","has coordinates","268695","2021-09-06","10:34:10",""
"7242540","13.9052","0.0011","3.7985","0.0003","23.3553","0.0018","90","","105.147","0.005","90","","1190.74","0.16","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H9 F3 O -","- C15 H9 F3 O -","- C60 H36 F12 O4 -","4","1","","Shu, Yuanhong; Ye, Kaiqi; Yue, Yuan; Sun, Jingbo; Wang, Haoran; Zhong, Jiangbin; Yang, Xiqiao; Gao, Hongqiang; Lu, Ran","Fluorine as a robust balancer for tuning the reactivity of topo-photoreactions of chalcones and the photomechanical effects of molecular crystals","CrystEngComm","2021","23","34","5856","5868","10.1039/D1CE00086A","","","0.71073","MoKα","","0.1904","0.1028","","","0.1856","0.2145","","","","","","1.211","","","","has coordinates","268695","2021-09-06","10:34:10",""
"7242541","9.0972","0.0009","11.7453","0.0013","13.5987","0.0015","115.013","0.004","92.409","0.004","91.562","0.004","1313.9","0.2","100","2","100.15","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H24 F4 O4 -","- C32 H24 F4 O4 -","- C64 H48 F8 O8 -","2","1","","Shu, Yuanhong; Ye, Kaiqi; Yue, Yuan; Sun, Jingbo; Wang, Haoran; Zhong, Jiangbin; Yang, Xiqiao; Gao, Hongqiang; Lu, Ran","Fluorine as a robust balancer for tuning the reactivity of topo-photoreactions of chalcones and the photomechanical effects of molecular crystals","CrystEngComm","2021","23","34","5856","5868","10.1039/D1CE00086A","","","0.71073","MoKα","","0.0832","0.0466","","","0.0996","0.1199","","","","","","1.013","","","","has coordinates","268695","2021-09-06","10:34:10",""
"7242542","4.0121","0.0003","23.1292","0.0019","13.5026","0.0013","90","","96.284","0.003","90","","1245.47","0.18","298","2","297.89","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 Br F O -","- C15 H10 Br F O -","- C60 H40 Br4 F4 O4 -","4","1","","Shu, Yuanhong; Ye, Kaiqi; Yue, Yuan; Sun, Jingbo; Wang, Haoran; Zhong, Jiangbin; Yang, Xiqiao; Gao, Hongqiang; Lu, Ran","Fluorine as a robust balancer for tuning the reactivity of topo-photoreactions of chalcones and the photomechanical effects of molecular crystals","CrystEngComm","2021","23","34","5856","5868","10.1039/D1CE00086A","","","0.71073","MoKα","","0.1323","0.0773","","","0.1985","0.2314","","","","","","1.12","","","","has coordinates","268695","2021-09-06","10:34:10",""
"7242543","5.9906","0.0011","26.824","0.006","8.121","0.0018","90","","100.511","0.005","90","","1283.1","0.5","144","2","144.53","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H24 F4 O2 -","- C32 H24 F4 O2 -","- C64 H48 F8 O4 -","2","0.5","","Shu, Yuanhong; Ye, Kaiqi; Yue, Yuan; Sun, Jingbo; Wang, Haoran; Zhong, Jiangbin; Yang, Xiqiao; Gao, Hongqiang; Lu, Ran","Fluorine as a robust balancer for tuning the reactivity of topo-photoreactions of chalcones and the photomechanical effects of molecular crystals","CrystEngComm","2021","23","34","5856","5868","10.1039/D1CE00086A","","","0.71073","MoKα","","0.1433","0.0848","","","0.2171","0.27","","","","","","1.002","","","","has coordinates,has disorder","268695","2021-09-06","10:34:10",""
"7242544","10.5214","0.0004","3.9362","0.0001","30.9616","0.0012","90","","91.344","0.002","90","","1281.9","0.08","298","2","297.89","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 F2 O2 -","- C16 H12 F2 O2 -","- C64 H48 F8 O8 -","4","1","","Shu, Yuanhong; Ye, Kaiqi; Yue, Yuan; Sun, Jingbo; Wang, Haoran; Zhong, Jiangbin; Yang, Xiqiao; Gao, Hongqiang; Lu, Ran","Fluorine as a robust balancer for tuning the reactivity of topo-photoreactions of chalcones and the photomechanical effects of molecular crystals","CrystEngComm","2021","23","34","5856","5868","10.1039/D1CE00086A","","","0.71073","MoKα","","0.0705","0.0476","","","0.1127","0.1277","","","","","","1.04","","","","has coordinates","268695","2021-09-06","10:34:10",""
"7242545","5.5139","0.0004","7.8716","0.0007","15.1925","0.0012","94.221","0.004","95.914","0.003","93.999","0.004","652.12","0.09","196","2","196.4","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H11 F3 O -","- C16 H11 F3 O -","- C32 H22 F6 O2 -","2","1","","Shu, Yuanhong; Ye, Kaiqi; Yue, Yuan; Sun, Jingbo; Wang, Haoran; Zhong, Jiangbin; Yang, Xiqiao; Gao, Hongqiang; Lu, Ran","Fluorine as a robust balancer for tuning the reactivity of topo-photoreactions of chalcones and the photomechanical effects of molecular crystals","CrystEngComm","2021","23","34","5856","5868","10.1039/D1CE00086A","","","0.71073","MoKα","","0.0835","0.0456","","","0.1124","0.1361","","","","","","1.039","","","","has coordinates","268695","2021-09-06","10:34:10",""
"7242546","25.053","0.003","5.7339","0.0008","8.0226","0.001","90","","95.745","0.005","90","","1146.7","0.3","100","2","100.15","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C15 H11 F O -","- C15 H11 F O -","- C60 H44 F4 O4 -","4","1","","Shu, Yuanhong; Ye, Kaiqi; Yue, Yuan; Sun, Jingbo; Wang, Haoran; Zhong, Jiangbin; Yang, Xiqiao; Gao, Hongqiang; Lu, Ran","Fluorine as a robust balancer for tuning the reactivity of topo-photoreactions of chalcones and the photomechanical effects of molecular crystals","CrystEngComm","2021","23","34","5856","5868","10.1039/D1CE00086A","","","0.71073","MoKα","","0.0632","0.0425","","","0.0787","0.0856","","","","","","1.051","","","","has coordinates","268695","2021-09-06","10:34:10",""
"7242547","25.2955","0.0018","11.9432","0.0009","34.778","0.002","90","","90","","90","","10506.8","1.2","100","2","99.92","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H20 Br2 F2 O2 -","- C30 H20 Br2 F2 O2 -","- C480 H320 Br32 F32 O32 -","16","2","","Shu, Yuanhong; Ye, Kaiqi; Yue, Yuan; Sun, Jingbo; Wang, Haoran; Zhong, Jiangbin; Yang, Xiqiao; Gao, Hongqiang; Lu, Ran","Fluorine as a robust balancer for tuning the reactivity of topo-photoreactions of chalcones and the photomechanical effects of molecular crystals","CrystEngComm","2021","23","34","5856","5868","10.1039/D1CE00086A","","","0.71073","MoKα","","0.0523","0.0336","","","0.068","0.0741","","","","","","1.016","","","","has coordinates","268695","2021-09-06","10:34:10",""
"7242548","5.8739","0.0007","7.4217","0.0009","14.0384","0.0018","90.767","0.005","97.082","0.004","92.597","0.004","606.59","0.13","100","2","100.01","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H10 Br F O -","- C15 H10 Br F O -","- C30 H20 Br2 F2 O2 -","2","1","","Shu, Yuanhong; Ye, Kaiqi; Yue, Yuan; Sun, Jingbo; Wang, Haoran; Zhong, Jiangbin; Yang, Xiqiao; Gao, Hongqiang; Lu, Ran","Fluorine as a robust balancer for tuning the reactivity of topo-photoreactions of chalcones and the photomechanical effects of molecular crystals","CrystEngComm","2021","23","34","5856","5868","10.1039/D1CE00086A","","","0.71073","MoKα","","0.033","0.0317","","","0.0876","0.0886","","","","","","1.06","","","","has coordinates","268695","2021-09-06","10:34:10",""
"7242549","12.606","0.005","24.432","0.01","9.056","0.003","90","","114.764","0.011","90","","2532.7","1.7","100","2","99.98","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C30 H18 Br2 F4 O2 -","- C30 H18 Br2 F4 O2 -","- C120 H72 Br8 F16 O8 -","4","1","","Shu, Yuanhong; Ye, Kaiqi; Yue, Yuan; Sun, Jingbo; Wang, Haoran; Zhong, Jiangbin; Yang, Xiqiao; Gao, Hongqiang; Lu, Ran","Fluorine as a robust balancer for tuning the reactivity of topo-photoreactions of chalcones and the photomechanical effects of molecular crystals","CrystEngComm","2021","23","34","5856","5868","10.1039/D1CE00086A","","","0.71073","MoKα","","0.1053","0.0456","","","0.0777","0.0908","","","","","","0.952","","","","has coordinates","268695","2021-09-06","10:34:10",""
"7242552","4.0612","0.0005","25.692","0.004","8.6053","0.0011","90","","93.36","0.004","90","","896.3","0.2","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H12 N4 O4 -","- C24 H12 N4 O4 -","- C48 H24 N8 O8 -","2","0.5","","Zhu, Huihui; Hao, Pengfei; Shen, Qiu; Shen, Junju; Li, Gaopeng; Zhao, Guozheng; Xing, Haoyu; Fu, Yunlong","The modulation effect of electron-rich solvents on the supramolecular networks and photochromic properties of naphthalene diimide molecules","CrystEngComm","2021","23","18","3356","3363","10.1039/D0CE01733G","","","0.71073","MoKα","","0.0872","0.0483","","","0.1084","0.1243","","","","","","1.027","","","","has coordinates","265983","2021-06-05","18:18:22",""
"7242553","13.339","0.005","5.493","0.002","25.88","0.008","90","","116.314","0.017","90","","1699.8","1.1","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 N4 O8 S4 -","- C32 H36 N4 O8 S4 -","- C64 H72 N8 O16 S8 -","2","0.5","","Zhu, Huihui; Hao, Pengfei; Shen, Qiu; Shen, Junju; Li, Gaopeng; Zhao, Guozheng; Xing, Haoyu; Fu, Yunlong","The modulation effect of electron-rich solvents on the supramolecular networks and photochromic properties of naphthalene diimide molecules","CrystEngComm","2021","23","18","3356","3363","10.1039/D0CE01733G","","","0.71073","MoKα","","0.2195","0.0712","","","0.1352","0.1765","","","","","","0.992","","","","has coordinates","265983","2021-06-05","18:18:23",""
"7242554","5.4179","0.0005","20.3687","0.0017","12.2934","0.001","90","","100.926","0.003","90","","1332.1","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 N6 O6 -","- C30 H26 N6 O6 -","- C60 H52 N12 O12 -","2","0.5","","Zhu, Huihui; Hao, Pengfei; Shen, Qiu; Shen, Junju; Li, Gaopeng; Zhao, Guozheng; Xing, Haoyu; Fu, Yunlong","The modulation effect of electron-rich solvents on the supramolecular networks and photochromic properties of naphthalene diimide molecules","CrystEngComm","2021","23","18","3356","3363","10.1039/D0CE01733G","","","0.71073","MoKα","","0.2102","0.108","","","0.2597","0.3167","","","","","","1.037","","","","has coordinates","265983","2021-06-05","18:18:23",""
"7242555","5.3112","0.0014","23.855","0.007","11.619","0.003","90","","99.885","0.008","90","","1450.3","0.7","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 N6 O6 -","- C34 H30 N6 O6 -","- C68 H60 N12 O12 -","2","0.5","","Zhu, Huihui; Hao, Pengfei; Shen, Qiu; Shen, Junju; Li, Gaopeng; Zhao, Guozheng; Xing, Haoyu; Fu, Yunlong","The modulation effect of electron-rich solvents on the supramolecular networks and photochromic properties of naphthalene diimide molecules","CrystEngComm","2021","23","18","3356","3363","10.1039/D0CE01733G","","","0.71073","MoKα","","0.1801","0.0691","","","0.1169","0.1478","","","","","","1.007","","","","has coordinates","265983","2021-06-05","18:18:23",""
"7242556","10.1841","0.0003","9.5035","0.0004","21.6676","0.0011","90","","91.787","0.004","90","","2096.07","0.15","288.63","0.1","288.63","0.1","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C22 H18 Cd N2 O5.5 -","- C22 H16 Cd N2 O5.5 -","- C88 H64 Cd4 N8 O22 -","4","1","","Qin, Wen-Jing; Zhang, Ji-Rui; Tian, Xu-Ke; Yang, Xiao-Gang; Guo, Yu-Ming","Donor‒acceptor structure of a coordination polymer with long-lived room temperature phosphorescence and angle-dependent polarized emission","CrystEngComm","2021","23","17","3094","3098","10.1039/D1CE00303H","","x-ray","0.71073","MoKα","","0.076","0.0601","","","0.1801","0.1916","","","","","","1.063","","","","has coordinates,has disorder","265944","2021-06-05","18:07:49",""
"7242557","8.2434","0.0004","13.7798","0.0007","16.7261","0.0008","90","","96.059","0.003","90","","1889.34","0.16","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H48 Cl2 N14 Ni2 O8 -","- C28 H48 Cl2 N14 Ni2 O8 -","- C56 H96 Cl4 N28 Ni4 O16 -","2","0.5","","Adak, Sarmistha; Sun, Yu-Chen; Jana, Narayan Ch.; Brandão, Paula; Wang, Xin-Yi; Panja, Anangamohan","Tuneable structures and magnetic properties of pseudohalo-bridged dinuclear Ni(ii) complexes derived from {N4} and {N3O} donor ligands","CrystEngComm","2021","23","18","3371","3382","10.1039/D1CE00202C","","","0.71073","MoKα","","0.0789","0.0452","","","0.0912","0.1054","","","","","","1.015","","","","has coordinates","265985","2021-06-05","18:18:59",""
"7242558","8.179","0.0006","27.2301","0.0018","9.5177","0.0007","90","","100.369","0.003","90","","2085.1","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H48 Cl2 N14 Ni2 O8 -","- C32 H48 Cl2 N14 Ni2 O8 -","- C64 H96 Cl4 N28 Ni4 O16 -","2","0.5","","Adak, Sarmistha; Sun, Yu-Chen; Jana, Narayan Ch.; Brandão, Paula; Wang, Xin-Yi; Panja, Anangamohan","Tuneable structures and magnetic properties of pseudohalo-bridged dinuclear Ni(ii) complexes derived from {N4} and {N3O} donor ligands","CrystEngComm","2021","23","18","3371","3382","10.1039/D1CE00202C","","","0.71073","MoKα","","0.058","0.0368","","","0.0746","0.0824","","","","","","1.059","","","","has coordinates","265985","2021-06-05","18:18:59",""
"7242559","8.3729","0.0009","13.604","0.0014","16.8216","0.0019","90","","94.39","0.004","90","","1910.4","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H48 Cl2 N10 Ni2 O10 -","- C30 H48 Cl2 N10 Ni2 O10 -","- C60 H96 Cl4 N20 Ni4 O20 -","2","0.5","","Adak, Sarmistha; Sun, Yu-Chen; Jana, Narayan Ch.; Brandão, Paula; Wang, Xin-Yi; Panja, Anangamohan","Tuneable structures and magnetic properties of pseudohalo-bridged dinuclear Ni(ii) complexes derived from {N4} and {N3O} donor ligands","CrystEngComm","2021","23","18","3371","3382","10.1039/D1CE00202C","","","0.71073","MoKα","","0.093","0.0501","","","0.1035","0.1184","","","","","","1.026","","","","has coordinates","265985","2021-06-05","18:18:59",""
"7242560","26.3729","0.0018","43.882","0.004","20.6839","0.0016","90","","90","","90","","23937","3","150","2","150","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C30 H52 Cl2 N14 Ni2 O8 -","- C30 H52 Cl2 N14 Ni2 O8 -","- C720 H1248 Cl48 N336 Ni48 O192 -","24","1.5","","Adak, Sarmistha; Sun, Yu-Chen; Jana, Narayan Ch.; Brandão, Paula; Wang, Xin-Yi; Panja, Anangamohan","Tuneable structures and magnetic properties of pseudohalo-bridged dinuclear Ni(ii) complexes derived from {N4} and {N3O} donor ligands","CrystEngComm","2021","23","18","3371","3382","10.1039/D1CE00202C","","","0.71073","MoKα","","0.1392","0.0974","","","0.2417","0.2737","","","","","","1.027","","","","has coordinates","265985","2021-06-05","18:18:59",""
"7242561","15.0146","0.0011","15.3326","0.001","18.7906","0.0014","106.124","0.002","106.924","0.002","91.258","0.002","3950.7","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H115 N25 Ni4 O8 -","- C70 H115 N25 Ni4 O8 -","- C140 H230 N50 Ni8 O16 -","2","1","","Adak, Sarmistha; Sun, Yu-Chen; Jana, Narayan Ch.; Brandão, Paula; Wang, Xin-Yi; Panja, Anangamohan","Tuneable structures and magnetic properties of pseudohalo-bridged dinuclear Ni(ii) complexes derived from {N4} and {N3O} donor ligands","CrystEngComm","2021","23","18","3371","3382","10.1039/D1CE00202C","","","0.71073","MoKα","","0.05","0.0323","","","0.0733","0.0811","","","","","","1.026","","","","has coordinates,has disorder","265985","2021-06-05","18:18:59",""
"7242562","15.0212","0.0011","15.3518","0.0012","18.7416","0.0014","106.273","0.003","106.932","0.003","91.228","0.003","3943.8","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H115 N17 Ni4 O12 -","- C74 H115 N17 Ni4 O12 -","- C148 H230 N34 Ni8 O24 -","2","1","","Adak, Sarmistha; Sun, Yu-Chen; Jana, Narayan Ch.; Brandão, Paula; Wang, Xin-Yi; Panja, Anangamohan","Tuneable structures and magnetic properties of pseudohalo-bridged dinuclear Ni(ii) complexes derived from {N4} and {N3O} donor ligands","CrystEngComm","2021","23","18","3371","3382","10.1039/D1CE00202C","","","0.71073","MoKα","","0.0464","0.0323","","","0.0695","0.0756","","","","","","1.019","","","","has coordinates,has disorder","265985","2021-06-05","18:18:59",""
"7242563","15.6255","0.001","6.0517","0.0004","47.672","0.004","90","","90","","90","","4507.9","0.6","297","2","297","2","","","","","","","","3","P n a 21","P 2c -2n","33","TBOP","2,8-bis((E)-2-(pyridin-2-yl)vinyl)-6H,12H-5,11-methanodibenzo[b,f][1,5]diazocine","","- C29 H24 N4 -","- C29 H24 N4 -","- C232 H192 N32 -","8","2","","Wu, Jiasheng; Zou, Jiacheng; Zhuge, Xiangxue; Jia, Zhitai; Lin, Na; Yuan, Chunxue","Design, synthesis, and characterization of pyridine-containing organic crystals with different substitution positions using solvothermal method","CrystEngComm","2021","23","17","3152","3159","10.1039/D1CE00165E","","","1.54178","CuKα","","0.0754","0.0637","","","0.173","0.192","","","","","","1.022","","","","has coordinates","264894","2021-05-05","08:28:35",""
"7242564","19.462","0.002","5.2101","0.0004","26.144","0.003","90","","105.318","0.011","90","","2556.8","0.5","100.01","0.1","100.01","0.1","","","","","","","","3","I 1 2/a 1","-I 2ya","15","TBMP","2,8-bis((E)-2-(pyridin-2-yl)vinyl)-5,6,11,12-tetrahydrodibenzo[b,f][1,5]diazocine","","- C29 H24 N4 -","- C29 H24 N4 -","- C116 H96 N16 -","4","0.5","","Wu, Jiasheng; Zou, Jiacheng; Zhuge, Xiangxue; Jia, Zhitai; Lin, Na; Yuan, Chunxue","Design, synthesis, and characterization of pyridine-containing organic crystals with different substitution positions using solvothermal method","CrystEngComm","2021","23","17","3152","3159","10.1039/D1CE00165E","","x-ray","0.71073","MoKα","","0.0835","0.0625","","","0.1699","0.1843","","","","","","1.036","","","","has coordinates","264894","2021-05-05","08:28:47",""
"7242565","9.4388","0.0006","9.4605","0.0005","12.5876","0.0008","94.094","0.005","103.85","0.005","105.273","0.005","1041.89","0.12","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","PHZMP","2,8-bis((E)-2-(pyridin-3-yl)vinyl)-5,6,11,12-tetrahydrodibenzo[b,f][1,5]diazocine","","- C28 H24 N4 -","- C28 H24 N4 -","- C56 H48 N8 -","2","1","","Wu, Jiasheng; Zou, Jiacheng; Zhuge, Xiangxue; Jia, Zhitai; Lin, Na; Yuan, Chunxue","Design, synthesis, and characterization of pyridine-containing organic crystals with different substitution positions using solvothermal method","CrystEngComm","2021","23","17","3152","3159","10.1039/D1CE00165E","","x-ray","0.71073","MoKα","","0.0828","0.0625","","","0.1599","0.1832","","","","","","1.033","","","","has coordinates","264894","2021-05-05","08:28:47",""
"7242566","4.8535","0.0006","37.442","0.005","11.8808","0.001","90","","101.043","0.01","90","","2119.1","0.4","100","0.1","100","0.1","","","","","","","","3","C 1 c 1","C -2yc","9","PHZOP","2,8-bis((E)-2-(pyridin-2-yl)vinyl)-5,6,11,12-tetrahydrodibenzo[b,f][1,5]diazocine","","- C28 H24 N4 -","- C28 H24 N4 -","- C112 H96 N16 -","4","1","","Wu, Jiasheng; Zou, Jiacheng; Zhuge, Xiangxue; Jia, Zhitai; Lin, Na; Yuan, Chunxue","Design, synthesis, and characterization of pyridine-containing organic crystals with different substitution positions using solvothermal method","CrystEngComm","2021","23","17","3152","3159","10.1039/D1CE00165E","","x-ray","1.54184","CuKα","","0.0812","0.0719","","","0.1877","0.204","","","","","","1.021","","","","has coordinates","264894","2021-05-05","08:28:47",""
"7242567","10.159","0.0008","11.0042","0.0006","11.2516","0.001","74.652","0.006","66.351","0.008","79.654","0.005","1107.27","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H14 Cd2 N2 O8 -","- C26 H14 Cd2 N2 O8 -","- C52 H28 Cd4 N4 O16 -","2","1","","Wu, Yu; Zhong, Yuyu; Kang, Weiyi; Liu, Yiwei; Yang, Tingting; Zhou, Mi; Zhou, Luyi","Two new luminescent Cd(ii)-based coordination polymers by regulating the asymmetrical tetracarboxylate and auxiliary ligands displaying high sensitivity for Fe3+ and CrO42−","CrystEngComm","2021","23","19","3460","3466","10.1039/D1CE00310K","","x-ray","1.54184","CuKα","","0.0545","0.0456","","","0.1148","0.1201","","","","","","1.07","","","","has coordinates","265954","2021-06-05","18:10:23",""
"7242568","7.6065","0.0001","13.9939","0.0003","20.8616","0.0004","90","","91.09","0.002","90","","2220.2","0.07","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Cd2 O12 -","- C16 H14 Cd2 O12 -","- C64 H56 Cd8 O48 -","4","1","","Wu, Yu; Zhong, Yuyu; Kang, Weiyi; Liu, Yiwei; Yang, Tingting; Zhou, Mi; Zhou, Luyi","Two new luminescent Cd(ii)-based coordination polymers by regulating the asymmetrical tetracarboxylate and auxiliary ligands displaying high sensitivity for Fe3+ and CrO42−","CrystEngComm","2021","23","19","3460","3466","10.1039/D1CE00310K","","x-ray","1.54184","CuKα","","0.037","0.0307","","","0.0787","0.0811","","","","","","1.068","","","","has coordinates","265954","2021-06-05","18:10:23",""
"7242569","21.2513","0.0007","15.2436","0.0005","24.1678","0.0008","90","","106.388","0.001","90","","7511","0.4","150.15","","150.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H52 N8 O48 W12 Zn2 -","- C40 H52 N8 O48 W12 Zn2 -","- C160 H208 N32 O192 W48 Zn8 -","4","0.5","","Zhang, Ying-Ying; Hu, Mingjun; Shao, Zhichao; Huang, Chao; Qin, Qi; Mi, Liwei","Keggin-type polyoxometalate-containing metal‒organic hybrids as friction materials for triboelectric nanogenerators","CrystEngComm","2021","23","30","5184","5189","10.1039/D1CE00332A","","","0.71073","MoKα","","0.0299","0.0293","","","0.0695","0.0698","","","","","","1.267","","","","has coordinates,has disorder","268666","2021-09-06","10:27:56",""
"7242570","14.296","0.006","15.241","0.006","16.158","0.007","90","","99.738","0.014","90","","3470","3","273.15","","273.15","","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C36 H25 Cu N12 O42 W12 Zn -","- C36 H32 Cu N12 O42 W12 Zn -","- C72 H64 Cu2 N24 O84 W24 Zn2 -","2","1","","Zhang, Ying-Ying; Hu, Mingjun; Shao, Zhichao; Huang, Chao; Qin, Qi; Mi, Liwei","Keggin-type polyoxometalate-containing metal‒organic hybrids as friction materials for triboelectric nanogenerators","CrystEngComm","2021","23","30","5184","5189","10.1039/D1CE00332A","","","0.71073","MoKα","","0.041","0.0366","","","0.0815","0.0844","","","","","","1.038","","","","has coordinates","268666","2021-09-06","10:27:56",""
"7242574","17.1647","0.0006","17.1647","0.0006","23.1194","0.0011","90","","90","","90","","6811.6","0.5","150","2","150","2","","","","","","","","4","P 41","P 4w","76","","","","- C13 H10 N4 O -","- C13 H10 N4 O -","- C312 H240 N96 O24 -","24","6","","Reason, Thomas E.; Goka, Benjamin; Krause, Jeanette A.; Fionah, Abelline K.; Zahran, Elsayed M.; Rayat, Sundeep","Cu2O nanoparticle-catalyzed synthesis of diaryl tetrazolones and investigation of their solid-state properties","CrystEngComm","2021","23","17","3220","3229","10.1039/D1CE00119A","","","0.7288","synchrotron","","0.0692","0.0545","","","0.1257","0.1386","","","","","","1.048","","","","has coordinates","265942","2021-06-05","18:07:34",""
"7242575","3.8425","0.0001","21.4042","0.0008","15.2608","0.0006","90","","96.8753","0.0012","90","","1246.11","0.08","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 F N4 O2 -","- C14 H11 F N4 O2 -","- C56 H44 F4 N16 O8 -","4","1","","Reason, Thomas E.; Goka, Benjamin; Krause, Jeanette A.; Fionah, Abelline K.; Zahran, Elsayed M.; Rayat, Sundeep","Cu2O nanoparticle-catalyzed synthesis of diaryl tetrazolones and investigation of their solid-state properties","CrystEngComm","2021","23","17","3220","3229","10.1039/D1CE00119A","","","0.7288","synchrotron","","0.0457","0.0387","","","0.1024","0.1082","","","","","","1.06","","","","has coordinates,has disorder","265942","2021-06-05","18:07:35",""
"7242576","22.1904","0.0017","4.7324","0.0004","27.12","0.002","90","","109.172","0.005","90","","2690","0.4","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H14 N4 O2 -","- C15 H14 N4 O2 -","- C120 H112 N32 O16 -","8","1","","Reason, Thomas E.; Goka, Benjamin; Krause, Jeanette A.; Fionah, Abelline K.; Zahran, Elsayed M.; Rayat, Sundeep","Cu2O nanoparticle-catalyzed synthesis of diaryl tetrazolones and investigation of their solid-state properties","CrystEngComm","2021","23","17","3220","3229","10.1039/D1CE00119A","","","0.7288","synchrotron","","0.0506","0.0381","","","0.0891","0.0971","","","","","","1.071","","","","has coordinates","265942","2021-06-05","18:07:35",""
"7242577","11.5655","0.001","3.9863","0.0004","28.977","0.003","90","","100.713","0.002","90","","1312.7","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N4 O2 -","- C15 H14 N4 O2 -","- C60 H56 N16 O8 -","4","1","","Reason, Thomas E.; Goka, Benjamin; Krause, Jeanette A.; Fionah, Abelline K.; Zahran, Elsayed M.; Rayat, Sundeep","Cu2O nanoparticle-catalyzed synthesis of diaryl tetrazolones and investigation of their solid-state properties","CrystEngComm","2021","23","17","3220","3229","10.1039/D1CE00119A","","","0.7288","synchrotron","","0.0757","0.0477","","","0.1119","0.1285","","","","","","1.029","","","","has coordinates","265942","2021-06-05","18:07:35",""
"7242578","3.8994","0.0002","21.1784","0.0011","8.9913","0.0005","90","","102.301","0.0017","90","","725.48","0.07","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H13 N5 O5 -","- C15 H13 N5 O5 -","- C30 H26 N10 O10 -","2","1","","Reason, Thomas E.; Goka, Benjamin; Krause, Jeanette A.; Fionah, Abelline K.; Zahran, Elsayed M.; Rayat, Sundeep","Cu2O nanoparticle-catalyzed synthesis of diaryl tetrazolones and investigation of their solid-state properties","CrystEngComm","2021","23","17","3220","3229","10.1039/D1CE00119A","","","0.7288","synchrotron","","0.0437","0.041","","","0.0888","0.0913","","","","","","1.073","","","","has coordinates","265942","2021-06-05","18:07:35",""
"7242579","7.4264","0.0004","26.8268","0.0016","5.6645","0.0003","90","","90","","90","","1128.52","0.11","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C13 H9 F N4 O -","- C13 H9 F N4 O -","- C52 H36 F4 N16 O4 -","4","0.5","","Reason, Thomas E.; Goka, Benjamin; Krause, Jeanette A.; Fionah, Abelline K.; Zahran, Elsayed M.; Rayat, Sundeep","Cu2O nanoparticle-catalyzed synthesis of diaryl tetrazolones and investigation of their solid-state properties","CrystEngComm","2021","23","17","3220","3229","10.1039/D1CE00119A","","","1.54178","CuKα","","0.0351","0.0325","","","0.0771","0.0799","","","","","","1.109","","","","has coordinates,has disorder","265942","2021-06-05","18:07:35",""
"7242580","28.9051","0.0018","3.9102","0.0002","11.6155","0.0007","90","","108.226","0.003","90","","1246.97","0.13","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C14 H11 F N4 O2 -","- C14 H11 F N4 O2 -","- C56 H44 F4 N16 O8 -","4","1","","Reason, Thomas E.; Goka, Benjamin; Krause, Jeanette A.; Fionah, Abelline K.; Zahran, Elsayed M.; Rayat, Sundeep","Cu2O nanoparticle-catalyzed synthesis of diaryl tetrazolones and investigation of their solid-state properties","CrystEngComm","2021","23","17","3220","3229","10.1039/D1CE00119A","","","0.71073","MoKα","","0.0301","0.0286","","","0.0739","0.0755","","","","","","1.054","","","","has coordinates,has disorder","265942","2021-06-05","18:07:35",""
"7242581","8.5565","0.0011","10.5456","0.0016","17.147","0.002","96.105","0.004","99.219","0.004","94.937","0.004","1510.2","0.3","170","2","170.02","","","","","","","","","5","P 1","P 1","1","remdesivir","","","- C27 H35 N6 O8 P -","- C27 H35 N6 O8 P -","- C54 H70 N12 O16 P2 -","2","2","","Yu, Kaxi; Chen, Shuai; Amgoth, Chander; Tang, Guping; Bai, Hongzhen; Hu, Xiurong","Two polymorphs of remdesivir: crystal structure, solubility, and pharmacokinetic study","CrystEngComm","2021","23","16","2923","2927","10.1039/D1CE00175B","","x-ray","1.34139","GaKα","","0.2598","0.1215","","","0.2953","0.3938","","","","","","0.996","","","","has coordinates","265961","2021-06-05","18:11:39",""
"7242582","10.5286","0.0017","12.809","0.002","11.1106","0.0019","90","","100.022","0.005","90","","1475.5","0.4","170","2","170","","","","","","","","","5","P 1 21 1","P 2yb","4","","Remdesivir","","- C27 H35 N6 O8 P -","- C27 H35 N6 O8 P -","- C54 H70 N12 O16 P2 -","2","1","","Yu, Kaxi; Chen, Shuai; Amgoth, Chander; Tang, Guping; Bai, Hongzhen; Hu, Xiurong","Two polymorphs of remdesivir: crystal structure, solubility, and pharmacokinetic study","CrystEngComm","2021","23","16","2923","2927","10.1039/D1CE00175B","","","0.71073","MoKα","","0.0622","0.0576","","","0.1508","0.1554","","","","","","1.074","","","","has coordinates","265961","2021-06-05","18:11:39",""
"7242583","7.7605","0.0002","7.3336","0.0001","8.9393","0.0002","90","","115.115","0.003","90","","460.66","0.02","293","2","298","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","CaNi2(SeO3)3(1.5H2O)","","- Ca H3 Ni2 O10.5 Se3 -","- Ca H3 Ni2 O10.5 Se3 -","- Ca2 H6 Ni4 O21 Se6 -","2","0.5","","Huang, Xing; Zhao, Zhiying; Zhang, Mengsi; He, Zhangzhen","Crystal-to-crystal transformation of a new selenite compound CaNi2(SeO3)3·2H2O induced by dehydration","CrystEngComm","2021","23","17","3126","3132","10.1039/D1CE00190F","","x-ray","0.71073","MoKα","","0.0267","0.025","","","0.0645","0.0652","","","","","","1.098","","","","has coordinates,has disorder","265938","2021-06-05","18:06:52",""
"7242584","7.8568","0.0004","7.3734","0.0003","8.9697","0.0006","90","","114.275","0.007","90","","473.68","0.05","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","CaNi2(SeO3)3(2H2O)","","- Ca H4 Ni2 O11 Se3 -","- Ca H3.999 Ni2 O10.999 Se3 -","- Ca2 H7.998 Ni4 O21.998 Se6 -","2","0.5","","Huang, Xing; Zhao, Zhiying; Zhang, Mengsi; He, Zhangzhen","Crystal-to-crystal transformation of a new selenite compound CaNi2(SeO3)3·2H2O induced by dehydration","CrystEngComm","2021","23","17","3126","3132","10.1039/D1CE00190F","","x-ray","0.71073","MoKα","","0.0531","0.0358","","","0.0652","0.0701","","","","","","1.033","","","","has coordinates,has disorder","265938","2021-06-05","18:06:53",""
"7242585","7.3759","0.0003","10.9715","0.0005","10.2189","0.0003","90","","90","","90","","826.96","0.06","297","2","297","","","","","","","","","4","C m c m","-C 2c 2","63","","CaNi2(SeO3)3","","- Ca Ni2 O9 Se3 -","- Ca Ni2 O9 Se3 -","- Ca4 Ni8 O36 Se12 -","4","0.25","","Huang, Xing; Zhao, Zhiying; Zhang, Mengsi; He, Zhangzhen","Crystal-to-crystal transformation of a new selenite compound CaNi2(SeO3)3·2H2O induced by dehydration","CrystEngComm","2021","23","17","3126","3132","10.1039/D1CE00190F","","x-ray","0.71073","MoKα","","0.0287","0.0261","","","0.0687","0.0697","","","","","","1.147","","","","has coordinates","265938","2021-06-05","18:06:53",""
"7242591","14.406","0.003","16.682","0.003","25.02","0.005","90","","90","","90","","6013","2","133","2","133.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H34.5 N5.5 O7 S2 -","- C22 H34.5 N5.5 O7 S2 -","- C176 H276 N44 O56 S16 -","8","2","","Liu, Wanying; Hou, Baohong; Huang, Xin; Zong, Shuyi; Zheng, Zhixin; Li, Shuyu; Zhao, Bugui; Liu, Songqiang; Zhou, Lina; Hao, Hongxun","Influence of intermolecular interactions and crystal structure on desolvation mechanisms of solvates","CrystEngComm","2021","23","19","3557","3568","10.1039/D1CE00284H","","","0.71073","MoKα","","0.0488","0.0465","","","0.1222","0.1241","","","","","","1.018","","","","has coordinates","265957","2021-06-05","18:11:01",""
"7242592","19.556","0.003","19.556","0.003","17.153","0.003","90","","90","","90","","6559.9","1.8","113","2","113.15","","","","","","","","","5","P 43","P 4cw","78","","","","- C22 H36 N4 O7 S2 -","- C22 H36 N4 O7 S2 -","- C176 H288 N32 O56 S16 -","8","2","","Liu, Wanying; Hou, Baohong; Huang, Xin; Zong, Shuyi; Zheng, Zhixin; Li, Shuyu; Zhao, Bugui; Liu, Songqiang; Zhou, Lina; Hao, Hongxun","Influence of intermolecular interactions and crystal structure on desolvation mechanisms of solvates","CrystEngComm","2021","23","19","3557","3568","10.1039/D1CE00284H","","","0.71073","MoKα","","0.0977","0.079","","","0.2008","0.2148","","","","","","1.066","","","","has coordinates","265957","2021-06-05","18:11:02",""
"7242593","14.1543","0.0003","16.755","0.0004","23.7148","0.0006","90","","90","","90","","5624.1","0.2","113.15","","113.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H70 N8 O16 S4 -","- C41 H70 N8 O16 S4 -","- C164 H280 N32 O64 S16 -","4","1","","Liu, Wanying; Hou, Baohong; Huang, Xin; Zong, Shuyi; Zheng, Zhixin; Li, Shuyu; Zhao, Bugui; Liu, Songqiang; Zhou, Lina; Hao, Hongxun","Influence of intermolecular interactions and crystal structure on desolvation mechanisms of solvates","CrystEngComm","2021","23","19","3557","3568","10.1039/D1CE00284H","","x-ray","0.71073","MoKα","","0.046","0.042","","","0.1043","0.1066","","","","","","1.039","","","","has coordinates,has disorder","265957","2021-06-05","18:11:02",""
"7242594","6.9349","0.0019","7.1467","0.0015","9.558","0.002","71.817","0.006","84.968","0.008","70.026","0.008","422.89","0.17","296","","296","","","","","","","","","4","P -1","-P 1","2","","7-Amino-4-methylcoumarin","","- C10 H9 N O2 -","- C10 H9 N O2 -","- C20 H18 N2 O4 -","2","1","","Sasaki, Toshiyuki; Ranjan, Subham; Takamizawa, Satoshi","A photoluminescent organosuperelastic crystal of 7-amino-4-methylcoumarin","CrystEngComm","2021","23","34","5801","5804","10.1039/D1CE00359C","","","0.71073","MoKα","","0.2083","0.1819","","","0.4492","0.4751","","","","","","1.653","","","","has coordinates","268676","2021-09-06","10:30:02",""
"7242595","6.9361","0.0007","7.1569","0.0006","9.5654","0.0009","71.825","0.003","84.915","0.003","69.902","0.003","423.58","0.07","296","","296","","","","","","","","","4","P -1","-P 1","2","","7-Amino-4-methylcoumarin","","- C10 H9 N O2 -","- C10 H9 N O2 -","- C20 H18 N2 O4 -","2","1","","Sasaki, Toshiyuki; Ranjan, Subham; Takamizawa, Satoshi","A photoluminescent organosuperelastic crystal of 7-amino-4-methylcoumarin","CrystEngComm","2021","23","34","5801","5804","10.1039/D1CE00359C","","","0.71073","MoKα","","0.0803","0.0632","","","0.1731","0.1973","","","","","","1.06","","","","has coordinates","268676","2021-09-06","10:30:02",""
"7242596","13.979","0.002","12.436","0.002","16.164","0.003","90","","90.613","0.003","90","","2809.8","0.8","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H52 Co3 N6 O20 -","- C52 H52 Co3 N6 O20 -","- C104 H104 Co6 N12 O40 -","2","0.5","","Wu, Yun-Long; Yang, Rong-Rong; Yang, Guo-Ping; Yan, Yang-Tian; Su, Xiao-Lei; He, Xin-Hai; Song, Yan-Yan; Ma, Zheng-Sheng; Wang, Yao-Yu","A new porous Co(ii)-metal‒organic framework for high sorption selectivity and affinity to CO2 and efficient catalytic oxidation of benzyl alcohols to benzaldehydes","CrystEngComm","2021","23","20","3717","3723","10.1039/D1CE00250C","","","0.71073","MoKα","","0.0658","0.0478","","","0.1333","0.1447","","","","","","1.06","","","","has coordinates","265962","2021-06-05","18:11:45",""
"7242597","13.0833","0.0003","7.64625","0.00015","24.185","0.0005","90","","90","","90","","2419.42","0.09","150","2","150","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H12 N2 O -","- C16 H12 N2 O -","- C128 H96 N16 O8 -","8","1","","Zia, Mehwash; Hameed, Shahid; Frontera, Antonio; Irran, Elisabeth; Naseer, Muhammad Moazzam","Understanding the planar conformations in diarylsubstituted heteroarenes: structural and theoretical insights","CrystEngComm","2021","23","17","3144","3151","10.1039/D1CE00354B","","x-ray","1.54184","CuKα","","0.0478","0.0377","","","0.0943","0.1038","","","","","","1.039","","","","has coordinates","265939","2021-06-05","18:07:04",""
"7242598","11.3261","0.0003","15.5298","0.0004","8.0963","0.0002","90","","105.26","0.003","90","","1373.86","0.06","150","2","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C68 H56 N8 O8 -","4","1","","Zia, Mehwash; Hameed, Shahid; Frontera, Antonio; Irran, Elisabeth; Naseer, Muhammad Moazzam","Understanding the planar conformations in diarylsubstituted heteroarenes: structural and theoretical insights","CrystEngComm","2021","23","17","3144","3151","10.1039/D1CE00354B","","x-ray","1.54184","CuKα","","0.0398","0.0347","","","0.0887","0.0942","","","","","","1.034","","","","has coordinates","265939","2021-06-05","18:07:05",""
"7242599","14.5352","0.0004","11.5897","0.0003","14.2576","0.0006","90","","102.137","0.003","90","","2348.13","0.14","150","2","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 N O3 -","- C15 H11 N O3 -","- C120 H88 N8 O24 -","8","2","","Zia, Mehwash; Hameed, Shahid; Frontera, Antonio; Irran, Elisabeth; Naseer, Muhammad Moazzam","Understanding the planar conformations in diarylsubstituted heteroarenes: structural and theoretical insights","CrystEngComm","2021","23","17","3144","3151","10.1039/D1CE00354B","","x-ray","1.54184","CuKα","","0.0753","0.0476","","","0.1139","0.1347","","","","","","1.003","","","","has coordinates","265939","2021-06-05","18:07:05",""
"7242600","5.55659","0.00018","10.0324","0.0003","22.5154","0.0007","90","","92.49","0.003","90","","1253.96","0.07","150","2","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 N O3 -","- C16 H13 N O3 -","- C64 H52 N4 O12 -","4","1","","Zia, Mehwash; Hameed, Shahid; Frontera, Antonio; Irran, Elisabeth; Naseer, Muhammad Moazzam","Understanding the planar conformations in diarylsubstituted heteroarenes: structural and theoretical insights","CrystEngComm","2021","23","17","3144","3151","10.1039/D1CE00354B","","x-ray","1.54184","CuKα","","0.0475","0.0366","","","0.0949","0.1031","","","","","","1.026","","","","has coordinates","265939","2021-06-05","18:07:05",""
"7242601","7.6398","0.001","12.74","0.002","13.6472","0.0019","90","","99.618","0.013","90","","1309.6","0.3","150","2","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N O3 -","- C16 H13 N O3 -","- C64 H52 N4 O12 -","4","1","","Zia, Mehwash; Hameed, Shahid; Frontera, Antonio; Irran, Elisabeth; Naseer, Muhammad Moazzam","Understanding the planar conformations in diarylsubstituted heteroarenes: structural and theoretical insights","CrystEngComm","2021","23","17","3144","3151","10.1039/D1CE00354B","","x-ray","1.54184","CuKα","","0.0942","0.0638","","","0.1526","0.1739","","","","","","1.087","","","","has coordinates","265939","2021-06-05","18:07:05",""
"7242602","25.2543","0.001","5.1328","0.0002","9.8457","0.0004","90","","90","","90","","1276.25","0.09","150","2","150","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C16 H13 N O3 -","- C16 H13 N O3 -","- C64 H52 N4 O12 -","4","1","","Zia, Mehwash; Hameed, Shahid; Frontera, Antonio; Irran, Elisabeth; Naseer, Muhammad Moazzam","Understanding the planar conformations in diarylsubstituted heteroarenes: structural and theoretical insights","CrystEngComm","2021","23","17","3144","3151","10.1039/D1CE00354B","","x-ray","1.54184","CuKα","","0.0462","0.0417","","","0.1054","0.1109","","","","","","1.099","","","","has coordinates","265939","2021-06-05","18:07:05",""
"7242603","12.8565","0.0004","13.5028","0.0005","20.6644","0.0006","72.641","0.003","75.515","0.002","84.414","0.002","3314.1","0.2","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","carboxylated pillar[5]arene coordination complex with Sr(II)","","","- C61 H79 O39.5 Sr -","- C61 H66 O39.54 Sr -","- C122 H132 O79.08 Sr2 -","2","1","","Butkiewicz, Helena; Sashuk, Volodymyr; Danylyuk, Oksana","Incorporation of carboxylated pillar[5]arene and strontium(ii) into supramolecular coordination complexes of different nuclearities","CrystEngComm","2021","23","18","3265","3269","10.1039/D1CE00334H","","","1.54184","CuKα","","0.0948","0.0805","","","0.1923","0.1987","","","","","","1.071","","","","has coordinates,has disorder","265988","2021-06-05","18:19:44",""
"7242604","22.583","0.0011","23.6561","0.0006","26.736","0.0011","90","","95.186","0.005","90","","14224.6","1","100","2","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","carboxylated pillar[5]arene coordination complex with Sr(II) and phenanthroline","","","- C124 H136 N2 O77.5 Sr4 -","- C123.008 H94.506 N2 O77.499 Sr4 -","- C492.032 H378.024 N8 O309.996 Sr16 -","4","1","","Butkiewicz, Helena; Sashuk, Volodymyr; Danylyuk, Oksana","Incorporation of carboxylated pillar[5]arene and strontium(ii) into supramolecular coordination complexes of different nuclearities","CrystEngComm","2021","23","18","3265","3269","10.1039/D1CE00334H","","","1.5418","CuKα","","0.1949","0.1146","","","0.2891","0.368","","","","","","0.997","","","","has coordinates,has disorder","265988","2021-06-05","18:19:44",""
"7242605","13.9854","0.0006","14.3768","0.0005","23.0984","0.0009","73.904","0.003","72.539","0.004","64.366","0.004","3935.1","0.3","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","carboxylated pillar[5]arene exclusion complex with phenanthroline","","","- C82.5 H86 N4 O36.3 -","- C82.472 H76.416 N4 O36.308 -","- C164.944 H152.832 N8 O72.616 -","2","1","","Butkiewicz, Helena; Sashuk, Volodymyr; Danylyuk, Oksana","Incorporation of carboxylated pillar[5]arene and strontium(ii) into supramolecular coordination complexes of different nuclearities","CrystEngComm","2021","23","18","3265","3269","10.1039/D1CE00334H","","","1.54184","CuKα","","0.0995","0.0906","","","0.2682","0.278","","","","","","1.042","","","","has coordinates,has disorder","265988","2021-06-05","18:19:44",""
"7242606","13.6055","0.0005","21.8372","0.0008","11.304","0.0004","90","","103.757","0.004","90","","3262.1","0.2","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C80 H54 Eu2 N8 O12 -","- C80 H54 Eu2 N8 O12 -","- C160 H108 Eu4 N16 O24 -","2","0.5","","Ruan, Zhong-Yu; Lu, Yong-Fang; Lv, Xi; Wu, Jian-Zhong; Ou, Yong-Cong; Cai, Yue-Peng","Synthesis of a Eu complex based on benzonitrile hydrolysis as the first luminescent probe for clinafloxacin","CrystEngComm","2021","23","19","3602","3608","10.1039/D1CE00315A","","","0.71073","MoKα","","0.0395","0.0314","","","0.0606","0.0642","","","","","","1.077","","","","has coordinates","265955","2021-06-05","18:10:30",""
"7242607","19.048","0.0011","9.6054","0.0004","17.9497","0.0009","90","","116.283","0.003","90","","2944.6","0.3","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C36 H64 La2 N20 O29 -","- C36 H56 La2 N20 O29 -","- C72 H112 La4 N40 O58 -","2","0.5","","Kuk, Yunseung; Ok, Kang Min","Homochiral three-dimensional noncentrosymmetric lanthanide coordination polymers directed by chiral linkers: syntheses, crystal structures, and optical properties","CrystEngComm","2021","23","20","3701","3709","10.1039/D1CE00281C","","","0.71073","MoKα","","0.0327","0.0285","","","0.0564","0.0576","","","","","","1.066","","","","has coordinates","265963","2021-06-05","18:11:57",""
"7242608","18.9531","0.0015","9.568","0.0006","17.8641","0.0013","90","","116.077","0.004","90","","2909.8","0.4","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C36 H64 N20 O29 Pr2 -","- C36 H56 N20 O29 Pr2 -","- C72 H112 N40 O58 Pr4 -","2","0.5","","Kuk, Yunseung; Ok, Kang Min","Homochiral three-dimensional noncentrosymmetric lanthanide coordination polymers directed by chiral linkers: syntheses, crystal structures, and optical properties","CrystEngComm","2021","23","20","3701","3709","10.1039/D1CE00281C","","","0.71073","MoKα","","0.0235","0.0217","","","0.0477","0.0482","","","","","","1.095","","","","has coordinates","265963","2021-06-05","18:11:57",""
"7242609","19.001","0.011","9.557","0.004","17.951","0.009","90","","116.38","0.03","90","","2920","3","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C36 H64 Ce2 N20 O29 -","- C36 H56 Ce2 N20 O29 -","- C72 H112 Ce4 N40 O58 -","2","0.5","","Kuk, Yunseung; Ok, Kang Min","Homochiral three-dimensional noncentrosymmetric lanthanide coordination polymers directed by chiral linkers: syntheses, crystal structures, and optical properties","CrystEngComm","2021","23","20","3701","3709","10.1039/D1CE00281C","","","0.71073","MoKα","","0.0751","0.0564","","","0.1025","0.1093","","","","","","1.064","","","","has coordinates","265963","2021-06-05","18:11:57",""
"7242610","19.022","0.002","9.5893","0.0008","17.9373","0.0017","90","","116.148","0.005","90","","2937.1","0.5","102","2","102","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C36 H64 N20 O29 Pr2 -","- C36 H56 N20 O29 Pr2 -","- C72 H112 N40 O58 Pr4 -","2","0.5","","Kuk, Yunseung; Ok, Kang Min","Homochiral three-dimensional noncentrosymmetric lanthanide coordination polymers directed by chiral linkers: syntheses, crystal structures, and optical properties","CrystEngComm","2021","23","20","3701","3709","10.1039/D1CE00281C","","","0.71073","MoKα","","0.0388","0.0338","","","0.0665","0.068","","","","","","1.086","","","","has coordinates","265963","2021-06-05","18:11:57",""
"7242611","19.095","0.0013","9.592","0.0006","17.9594","0.0012","90","","116.394","0.004","90","","2946.5","0.4","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C36 H64 Ce2 N20 O29 -","- C36 H56 Ce2 N20 O29 -","- C72 H112 Ce4 N40 O58 -","2","0.5","","Kuk, Yunseung; Ok, Kang Min","Homochiral three-dimensional noncentrosymmetric lanthanide coordination polymers directed by chiral linkers: syntheses, crystal structures, and optical properties","CrystEngComm","2021","23","20","3701","3709","10.1039/D1CE00281C","","","0.71073","MoKα","","0.0413","0.0382","","","0.0816","0.083","","","","","","1.114","","","","has coordinates","265963","2021-06-05","18:11:57",""
"7242612","19.0674","0.0013","9.5986","0.0006","17.9747","0.0013","90","","116.405","0.003","90","","2946.5","0.4","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C36 H64 La2 N20 O29 -","- C36 H56 La2 N20 O29 -","- C72 H112 La4 N40 O58 -","2","0.5","","Kuk, Yunseung; Ok, Kang Min","Homochiral three-dimensional noncentrosymmetric lanthanide coordination polymers directed by chiral linkers: syntheses, crystal structures, and optical properties","CrystEngComm","2021","23","20","3701","3709","10.1039/D1CE00281C","","","0.71073","MoKα","","0.0226","0.022","","","0.0508","0.051","","","","","","1.119","","","","has coordinates","265963","2021-06-05","18:11:57",""
"7242626","9.6083","0.001","12.3397","0.0013","13.1345","0.0014","106.969","0.002","108.15","0.002","105.806","0.002","1297.4","0.2","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H15 Co Mo4 N6 O15 -","- C16 H16 Co Mo4 N6 O15 -","- C32 H32 Co2 Mo8 N12 O30 -","2","1","","Wang, Xiuli; Li, Lei; Wang, Xiang; Zhang, Yuqing","Various amide-derived ligands induced five octamolybdate-based metal‒organic complexes: synthesis, structure, electrochemical sensing and photocatalytic properties","CrystEngComm","2021","23","30","5176","5183","10.1039/D1CE00266J","","x-ray","0.71073","MoKα","K-L~3~","0.1041","0.058","","","0.138","0.1606","","","","","","1.033","","","","has coordinates,has disorder","268663","2021-09-06","10:27:21",""
"7242627","15.892","0.002","16.61","0.002","16.579","0.002","90","","110.912","0.002","90","","4088","0.9","296.15","","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 Co Mo4 N6 O18 -","- C21 H20 Co Mo4 N6 O18 -","- C84 H80 Co4 Mo16 N24 O72 -","4","1","","Wang, Xiuli; Li, Lei; Wang, Xiang; Zhang, Yuqing","Various amide-derived ligands induced five octamolybdate-based metal‒organic complexes: synthesis, structure, electrochemical sensing and photocatalytic properties","CrystEngComm","2021","23","30","5176","5183","10.1039/D1CE00266J","","","0.71073","MoKα","","0.0505","0.0316","","","0.0694","0.0758","","","","","","0.932","","","","has coordinates","268663","2021-09-06","10:27:22",""
"7242628","8.3887","0.0016","12.411","0.002","20.052","0.004","90","","94.027","0.004","90","","2082.5","0.7","273.15","","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Co Mo8 N8 O28 -","- C26 H20 Co Mo8 N8 O28 -","- C52 H40 Co2 Mo16 N16 O56 -","2","0.5","","Wang, Xiuli; Li, Lei; Wang, Xiang; Zhang, Yuqing","Various amide-derived ligands induced five octamolybdate-based metal‒organic complexes: synthesis, structure, electrochemical sensing and photocatalytic properties","CrystEngComm","2021","23","30","5176","5183","10.1039/D1CE00266J","","","0.71073","MoKα","","0.1187","0.0526","","","0.1226","0.1664","","","","","","0.851","","","","has coordinates","268663","2021-09-06","10:27:22",""
"7242629","8.3998","0.0003","12.4831","0.0004","20.0657","0.0007","90","","94.106","0.001","90","","2098.6","0.12","296.15","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Mo8 N8 O28 Zn -","- C26 H20 Mo8 N8 O28 Zn -","- C52 H40 Mo16 N16 O56 Zn2 -","2","0.5","","Wang, Xiuli; Li, Lei; Wang, Xiang; Zhang, Yuqing","Various amide-derived ligands induced five octamolybdate-based metal‒organic complexes: synthesis, structure, electrochemical sensing and photocatalytic properties","CrystEngComm","2021","23","30","5176","5183","10.1039/D1CE00266J","","","0.71073","MoKα","","0.0267","0.0226","","","0.0523","0.0539","","","","","","1.104","","","","has coordinates","268663","2021-09-06","10:27:22",""
"7242630","15.958","0.0009","16.5096","0.0009","16.5324","0.001","90","","111.402","0.001","90","","4055.3","0.4","296.15","","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 Mo4 N6 Ni O18 -","- C21 H19 Mo4 N6 Ni O18 -","- C84 H76 Mo16 N24 Ni4 O72 -","4","1","","Wang, Xiuli; Li, Lei; Wang, Xiang; Zhang, Yuqing","Various amide-derived ligands induced five octamolybdate-based metal‒organic complexes: synthesis, structure, electrochemical sensing and photocatalytic properties","CrystEngComm","2021","23","30","5176","5183","10.1039/D1CE00266J","","","0.71073","MoKα","","0.1286","0.0852","","","0.2731","0.3097","","","","","","1.064","","","","has coordinates","268663","2021-09-06","10:27:22",""
"7242631","11.473","0.005","13.285","0.005","15.134","0.005","77.821","0.005","71.632","0.005","76.796","0.005","2107.1","1.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H48 Cu2 N16 O40 Si W12 -","- C64 H48 Cu2 N16 O40 Si W12 -","- C64 H48 Cu2 N16 O40 Si W12 -","1","0.5","","Wang, Xiang; Li, Yunhui; Zhang, Tong; Ma, Sijia; Wang, Xiuli","Assembly, structures and properties of polyoxometalate-based supramolecular complexes involving in situ transformation of single-branch N-donor cyano ligands","CrystEngComm","2021","23","19","3477","3487","10.1039/D1CE00298H","","","0.71069","MoKα","","0.1257","0.0871","","","0.2698","0.2941","","","","","","1.096","","","","has coordinates,has disorder","265956","2021-06-05","18:10:46",""
"7242632","14.4073","0.0006","14.6547","0.0006","18.0891","0.0008","98.781","0.001","92.723","0.001","112.217","0.001","3471.1","0.3","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C120 H102 Cu4 Mo12 N16 O60 Si -","- C120 H102 Cu4 Mo12 N16 O60 Si -","- C120 H102 Cu4 Mo12 N16 O60 Si -","1","0.5","","Wang, Xiang; Li, Yunhui; Zhang, Tong; Ma, Sijia; Wang, Xiuli","Assembly, structures and properties of polyoxometalate-based supramolecular complexes involving in situ transformation of single-branch N-donor cyano ligands","CrystEngComm","2021","23","19","3477","3487","10.1039/D1CE00298H","","x-ray","0.71073","MoKα","K-L~3~","0.1168","0.076","","","0.1346","0.1515","","","","","","1.041","","","","has coordinates,has disorder","265956","2021-06-05","18:10:46",""
"7242633","14.386","0.001","14.6213","0.001","18.0964","0.0013","98.825","0.002","92.764","0.002","112.21","0.001","3458.7","0.4","273.15","","273.15","","","","","","","","","7","P -1","-P 1","2","","","","- C120 H98 Cu4 Mo12 N16 O60 P -","- C120 H98 Cu4 Mo12 N16 O60 P -","- C120 H98 Cu4 Mo12 N16 O60 P -","1","0.5","","Wang, Xiang; Li, Yunhui; Zhang, Tong; Ma, Sijia; Wang, Xiuli","Assembly, structures and properties of polyoxometalate-based supramolecular complexes involving in situ transformation of single-branch N-donor cyano ligands","CrystEngComm","2021","23","19","3477","3487","10.1039/D1CE00298H","","x-ray","0.71073","MoKα","K-L~3~","0.136","0.0552","","","0.0882","0.1115","","","","","","0.973","","","","has coordinates,has disorder","265956","2021-06-05","18:10:46",""
"7242634","11.2593","0.0009","12.2095","0.001","12.6834","0.0011","77.379","0.002","70.498","0.002","88.223","0.002","1602.2","0.2","273.15","","273.15","","","","","","","","","7","P -1","-P 1","2","","","","- C32 H24 Co2 N8 O48 Si W12 -","- C32 H24 Co2 N8 O48 Si W12 -","- C32 H24 Co2 N8 O48 Si W12 -","1","0.5","","Wang, Xiang; Li, Yunhui; Zhang, Tong; Ma, Sijia; Wang, Xiuli","Assembly, structures and properties of polyoxometalate-based supramolecular complexes involving in situ transformation of single-branch N-donor cyano ligands","CrystEngComm","2021","23","19","3477","3487","10.1039/D1CE00298H","","","0.71073","MoKα","","0.0647","0.0559","","","0.1595","0.165","","","","","","1.089","","","","has coordinates,has disorder","265956","2021-06-05","18:10:46",""
"7242635","13.186","0.005","16.56","0.005","17.567","0.005","86.945","0.005","86.378","0.005","76.76","0.005","3724","2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H42 Cu2 Mo12 N9 O48 P -","- C48 H42 Cu2 Mo12 N9 O48 P -","- C96 H84 Cu4 Mo24 N18 O96 P2 -","2","1","","Wang, Xiang; Li, Yunhui; Zhang, Tong; Ma, Sijia; Wang, Xiuli","Assembly, structures and properties of polyoxometalate-based supramolecular complexes involving in situ transformation of single-branch N-donor cyano ligands","CrystEngComm","2021","23","19","3477","3487","10.1039/D1CE00298H","","","0.71069","MoKα","","0.0716","0.0448","","","0.1105","0.1259","","","","","","1.003","","","","has coordinates","265956","2021-06-05","18:10:46",""
"7242636","16.2488","0.001","19.1465","0.0012","24.0881","0.0014","67.688","0.001","71.651","0.001","66.913","0.001","6255.3","0.7","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C210 H178 Cu6 Mo24 N28 O114 Si2 -","- C210 H180 Cu6 Mo24 N28 O114 Si2 -","- C210 H180 Cu6 Mo24 N28 O114 Si2 -","1","0.5","","Wang, Xiang; Li, Yunhui; Zhang, Tong; Ma, Sijia; Wang, Xiuli","Assembly, structures and properties of polyoxometalate-based supramolecular complexes involving in situ transformation of single-branch N-donor cyano ligands","CrystEngComm","2021","23","19","3477","3487","10.1039/D1CE00298H","","x-ray","0.71073","MoKα","","0.1161","0.066","","","0.1397","0.1654","","","","","","1.032","","","","has coordinates","265956","2021-06-05","18:10:46",""
"7242637","9.6734","0.0007","9.6734","0.0007","31.308","0.004","90","","90","","120","","2537.1","0.4","293","2","293","2","","","","","","","","6","P 61","P 61","169","","","","- C17 H13 Cl2 N O2 S -","- C17 H13 Cl2 N O2 S -","- C102 H78 Cl12 N6 O12 S6 -","6","1","","Gerasimova, Daria P.; Saifina, Alina F.; Zakharychev, Dmitry V.; Fayzullin, Robert R.; Kurbangalieva, Almira R.; Lodochnikova, Olga A.","The second example of doubly enantiophobic behavior during crystallization: a detailed crystallographic, thermochemical and spectroscopic study","CrystEngComm","2021","23","21","3907","3918","10.1039/D1CE00227A","","x-ray","0.71073","MoKα","","0.2147","0.065","","","0.1035","0.1458","","","","","","1.078","","","","has coordinates,has disorder","265991","2021-06-05","18:20:11",""
"7242638","9.0476","0.0008","8.5404","0.0008","11.4193","0.0011","90","","113.152","0.006","90","","811.31","0.14","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H13 Cl2 N O2 S -","- C17 H13 Cl2 N O2 S -","- C34 H26 Cl4 N2 O4 S2 -","2","1","","Gerasimova, Daria P.; Saifina, Alina F.; Zakharychev, Dmitry V.; Fayzullin, Robert R.; Kurbangalieva, Almira R.; Lodochnikova, Olga A.","The second example of doubly enantiophobic behavior during crystallization: a detailed crystallographic, thermochemical and spectroscopic study","CrystEngComm","2021","23","21","3907","3918","10.1039/D1CE00227A","","x-ray","0.71073","MoKα","","0.0744","0.0458","","","0.0884","0.1025","","","","","","1.027","","","","has coordinates","265991","2021-06-05","18:20:11",""
"7242649","25.7398","0.0011","23.6271","0.0011","9.7094","0.0005","90","","106.926","0.003","90","","5649","0.5","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C12 H12 N8 Zn2 -","- C12 H12 N8 Zn2 -","- C96 H96 N64 Zn16 -","8","1","","Meng, Qianqian; Wang, Jiang; Shi, Qi; Dong, Jinxiang","Synthesis of a new ATN-type zeolitic imidazolate framework through cooperative effects of N,N-dipropylformamide and n-butylamine","CrystEngComm","2021","23","19","3429","3433","10.1039/D1CE00287B","","","1.54178","CuKα","","0.0847","0.0693","","","0.1849","0.2025","","","","","","1.005","","","","has coordinates,has disorder","265952","2021-06-05","18:10:03",""
"7242658","25.411","0.012","16.573","0.008","16.573","","90","","90","","90","","6979","5","296","2","296","2","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- C16.25 H15.75 N1.25 O6 Zn -","- C13 H6 O5 Zn -","- C104 H48 O40 Zn8 -","8","1","","Zhang, Hao; Geng, Wu-Yue; Luo, Yu-Hui; Ding, Zi-Jun; Wang, Zhi-Xuan; Xie, A.-Di; Zhang, Dong-En","Reticular synthesis of two anionic Zn(ii)-MOFs for organic dye adsorption/separation and lanthanide ion sensitization","CrystEngComm","2021","23","18","3319","3325","10.1039/D1CE00112D","","","0.71073","MoKα","","0.1067","0.0727","","","0.1934","0.2033","","","","","","1.035","","","","has coordinates","265987","2021-06-05","18:19:27",""
"7242659","17.693","0.003","33.688","0.007","16.248","0.003","90","","90","","90","","9684","3","296","2","296","2","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- C26 H36 N3.5 O9.5 Zn -","- C16 H8 O5 Zn -","- C128 H64 O40 Zn8 -","8","1","","Zhang, Hao; Geng, Wu-Yue; Luo, Yu-Hui; Ding, Zi-Jun; Wang, Zhi-Xuan; Xie, A.-Di; Zhang, Dong-En","Reticular synthesis of two anionic Zn(ii)-MOFs for organic dye adsorption/separation and lanthanide ion sensitization","CrystEngComm","2021","23","18","3319","3325","10.1039/D1CE00112D","","","0.71073","MoKα","","0.1534","0.1094","","","0.2837","0.3234","","","","","","1.018","","","","has coordinates,has disorder","265987","2021-06-05","18:19:29",""
"7242660","9.5836","0.0005","9.5888","0.0005","10.0923","0.0006","67.643","0.006","88.319","0.005","61.421","0.005","739.79","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H16 Bi2 Br6 N4 O4 -","- C20 H16 Bi2 Br6 N4 O4 -","- C20 H16 Bi2 Br6 N4 O4 -","1","0.5","","Jin, Jian-Ce; Lin, Yang-Peng; Lin, Li-Fang; Xiao, Cao; Song, Ying; Shen, Nan-Nan; Gong, Liao-Kuo; Zhang, Zhi-Zhuan; Du, Ke-Zhao; Huang, Xiao-Ying","2,2′-Bipyridyl-1,1′-dioxide based bismuth(iii) bromide hybrids: studies on crystal structure and luminescence","CrystEngComm","2021","23","20","3744","3752","10.1039/D1CE00362C","","","0.71073","MoKα","","0.0331","0.029","","","0.057","0.06","","","","","","1.031","","","","has coordinates","265964","2021-06-05","18:12:06",""
"7242661","16.702","0.003","13.373","0.003","27.508","0.006","90","","98.96","0.03","90","","6069","2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H17.5 Bi2 Br6 N4.5 O4 -","- C21 H17.5 Bi2 Br6 N4.5 O4 -","- C168 H140 Bi16 Br48 N36 O32 -","8","1","","Jin, Jian-Ce; Lin, Yang-Peng; Lin, Li-Fang; Xiao, Cao; Song, Ying; Shen, Nan-Nan; Gong, Liao-Kuo; Zhang, Zhi-Zhuan; Du, Ke-Zhao; Huang, Xiao-Ying","2,2′-Bipyridyl-1,1′-dioxide based bismuth(iii) bromide hybrids: studies on crystal structure and luminescence","CrystEngComm","2021","23","20","3744","3752","10.1039/D1CE00362C","","","0.71073","MoKα","","0.0359","0.0295","","","0.0666","0.0688","","","","","","1.037","","","","has coordinates,has disorder","265964","2021-06-05","18:12:06",""
"7242662","16.7831","0.0007","10.2718","0.0005","15.2355","0.0007","90","","94.446","0.004","90","","2618.6","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H30 Bi Br4 N3 O2 -","- C20 H30 Bi Br4 N3 O2 -","- C80 H120 Bi4 Br16 N12 O8 -","4","1","","Jin, Jian-Ce; Lin, Yang-Peng; Lin, Li-Fang; Xiao, Cao; Song, Ying; Shen, Nan-Nan; Gong, Liao-Kuo; Zhang, Zhi-Zhuan; Du, Ke-Zhao; Huang, Xiao-Ying","2,2′-Bipyridyl-1,1′-dioxide based bismuth(iii) bromide hybrids: studies on crystal structure and luminescence","CrystEngComm","2021","23","20","3744","3752","10.1039/D1CE00362C","","","0.71073","MoKα","","0.04","0.0316","","","0.0649","0.0705","","","","","","1.016","","","","has coordinates","265964","2021-06-05","18:12:06",""
"7242663","6.8987","0.0004","21.2912","0.0012","8.6833","0.0005","90","","102.19","0.0018","90","","1246.66","0.12","295","2","295.15","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Fe5 Mo7 O28 Rb -","- Fe5 Mo7 O28 Rb -","- Fe10 Mo14 O56 Rb2 -","2","0.5","","Chimitova, O. D.; Bazarov, B. G.; Bazarova, J. G.; Atuchin, V. V.; Azmi, R.; Sarapulova, A. E.; Mikhailova, D.; Balachandran, G.; Fiedler, A.; Geckle, U.; Prots, Yu.; Komarek, A. C.; Gavrilova, T. A.; Prosvirin, I. P.; Yang, Yi; Lin, Zheshuai; Knapp, M.; Ehrenberg, H.","The crystal growth and properties of novel magnetic double molybdate RbFe5(MoO4)7 with mixed Fe3+/Fe2+ states and 1D negative thermal expansion","CrystEngComm","2021","23","18","3297","3307","10.1039/D1CE00118C","","","0.71073","MoKα","","0.0199","0.0166","","","0.0336","0.0345","","","","","","1.086","","","","has coordinates","265986","2021-06-05","18:19:09",""
"7242665","10.2977","0.0007","17.1374","0.0012","25.7887","0.0018","85.798","0.006","85.562","0.006","77.91","0.006","4429.2","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H10 N6 O3 -","- C9 H10 N6 O3 -","- C144 H160 N96 O48 -","16","8","","Caimac, Nicoleta; Melnic, Elena; Chisca, Diana; Fonari, Marina S.","2,4-Diamino-6-phenyl-1,3,5-triazin-1-ium nitrate: intriguing crystal structure with high Z′/Z′′ and hydrogen bond numbers and Hirshfeld surface analysis of intermolecular interactions","CrystEngComm","2021","23","17","3099","3108","10.1039/D1CE00313E","","","0.71073","MoKα","","0.2402","0.0699","","","0.0764","0.1094","","","","","","0.871","","","","has coordinates","265941","2021-06-05","18:07:23",""
"7242668","12.3714","0.0012","18.5178","0.0017","5.6651","0.0005","90","","90","","90","","1297.8","0.2","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H15 N3 O2 -","- C13 H15 N3 O2 -","- C52 H60 N12 O8 -","4","1","","Brahma, Rinki; Baruah, Jubaraj B.","Intrinsic structural features of coordination polymers make an impact on dye selectivity","CrystEngComm","2021","23","21","3812","3827","10.1039/D1CE00481F","","","0.71073","MoKα","","0.0928","0.0641","","","0.1804","0.2067","","","","","","1.093","","","","has coordinates","265997","2021-06-05","18:21:38",""
"7242669","11.626","0.007","30.46","0.02","8.952","0.004","90","","90","","90","","3170","3","296","2","296","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C30 H34 N6 O8 Zn -","- C30 H34 N6 O8 Zn -","- C120 H136 N24 O32 Zn4 -","4","0.5","","Brahma, Rinki; Baruah, Jubaraj B.","Intrinsic structural features of coordination polymers make an impact on dye selectivity","CrystEngComm","2021","23","21","3812","3827","10.1039/D1CE00481F","","","0.71073","MoKα","","0.0556","0.0383","","","0.1159","0.1243","","","","","","1.045","","","","has coordinates","265997","2021-06-05","18:21:39",""
"7242670","11.4051","0.0014","8.0096","0.001","19.454","0.002","90","","106.613","0.003","90","","1702.9","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H34 Co N6 O8 -","- C34 H34 Co N6 O8 -","- C68 H68 Co2 N12 O16 -","2","0.5","","Brahma, Rinki; Baruah, Jubaraj B.","Intrinsic structural features of coordination polymers make an impact on dye selectivity","CrystEngComm","2021","23","21","3812","3827","10.1039/D1CE00481F","","","0.71073","MoKα","","0.0403","0.031","","","0.0805","0.0858","","","","","","1.078","","","","has coordinates","265997","2021-06-05","18:21:39",""
"7242671","30.4091","0.0014","11.6865","0.0005","8.9577","0.0003","90","","90","","90","","3183.4","0.2","296","2","296","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C30 H32 Co N6 O8 -","- C30 H32 Co N6 O8 -","- C120 H128 Co4 N24 O32 -","4","0.5","","Brahma, Rinki; Baruah, Jubaraj B.","Intrinsic structural features of coordination polymers make an impact on dye selectivity","CrystEngComm","2021","23","21","3812","3827","10.1039/D1CE00481F","","","0.71073","MoKα","","0.057","0.0444","","","0.137","0.1477","","","","","","1","","","","has coordinates","265997","2021-06-05","18:21:39",""
"7242672","11.7","0.004","30.466","0.01","8.959","0.003","90","","90","","90","","3193.5","1.9","296","2","296","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C30 H32 N6 O8 Zn -","- C30 H32 N6 O8 Zn -","- C120 H128 N24 O32 Zn4 -","4","0.5","","Brahma, Rinki; Baruah, Jubaraj B.","Intrinsic structural features of coordination polymers make an impact on dye selectivity","CrystEngComm","2021","23","21","3812","3827","10.1039/D1CE00481F","","","0.71073","MoKα","","0.0511","0.042","","","0.0873","0.0909","","","","","","1.083","","","","has coordinates","265997","2021-06-05","18:21:39",""
"7242673","11.653","0.007","30.448","0.014","8.96","0.005","90","","90","","90","","3179","3","296","2","296","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C30 H34 Co N6 O8 -","- C30 H34 Co N6 O8 -","- C120 H136 Co4 N24 O32 -","4","0.5","","Brahma, Rinki; Baruah, Jubaraj B.","Intrinsic structural features of coordination polymers make an impact on dye selectivity","CrystEngComm","2021","23","21","3812","3827","10.1039/D1CE00481F","","","0.71073","MoKα","","0.0678","0.0502","","","0.2083","0.2259","","","","","","1.021","","","","has coordinates","265997","2021-06-05","18:21:39",""
"7242674","13.896","0.003","4.8595","0.0011","15.28","0.004","90","","111.44","0.03","90","","960.4","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H4 Ag2 N2 O5 S -","- C6 H4 Ag2 N2 O5 S -","- C24 H16 Ag8 N8 O20 S4 -","4","1","","Lin, Yuan; Jiang, Huijie; Liang, Guangling; Deng, Wei-Hua; Li, Qiaohong; Li, Wen-Hua; Xu, Gang","The exceptionally high moisture responsiveness of a new conductive-coordination-polymer based chemiresistive sensor","CrystEngComm","2021","23","19","3549","3556","10.1039/D1CE00347J","","","0.71073","MoKα","","0.066","0.0436","","","0.0736","0.0796","","","","","","1.038","","","","has coordinates","265950","2021-06-05","18:09:15",""
"7242677","4.8625","0.0006","27.236","0.003","16.031","0.002","90","","97.22","0.004","90","","2106.2","0.4","273","2","273","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C20 H19 Br3 N4 O -","- C20 H19 Br3 N4 O -","- C80 H76 Br12 N16 O4 -","4","1","","Hossain, Anowar; Dey, Arka; Seth, Saikat Kumar; Ray, Partha Pratim; Ortega-Castro, Joaquín; Frontera, Antonio; Mukhopadhyay, Subrata","Anion-dependent structural variations and charge transport property analysis of 4′-(3-pyridyl)-4,2′:6′,4′′-terpyridinium salts","CrystEngComm","2021","23","19","3569","3581","10.1039/D1CE00248A","","","0.71073","MoKα","","0.0718","0.0427","","","0.0854","0.0954","","","","","","1.064","","","","has coordinates","265948","2021-06-05","18:08:56",""
"7242678","4.6889","0.0002","27.4022","0.0012","16.2907","0.0007","90","","95.444","0.002","90","","2083.69","0.16","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C20 H21 Cl3 N4 O2 -","- C20 H21 Cl3 N4 O2 -","- C80 H84 Cl12 N16 O8 -","4","1","","Hossain, Anowar; Dey, Arka; Seth, Saikat Kumar; Ray, Partha Pratim; Ortega-Castro, Joaquín; Frontera, Antonio; Mukhopadhyay, Subrata","Anion-dependent structural variations and charge transport property analysis of 4′-(3-pyridyl)-4,2′:6′,4′′-terpyridinium salts","CrystEngComm","2021","23","19","3569","3581","10.1039/D1CE00248A","","","0.71073","MoKα","","0.0352","0.0319","","","0.0794","0.0815","","","","","","1.042","","","","has coordinates","265948","2021-06-05","18:08:56",""
"7242679","7.9128","0.0005","12.1194","0.0007","14.6144","0.0009","111.868","0.003","97.267","0.003","95.94","0.003","1272.82","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H19 Cl3 N4 O13 -","- C20 H19 Cl3 N4 O13 -","- C40 H38 Cl6 N8 O26 -","2","1","","Hossain, Anowar; Dey, Arka; Seth, Saikat Kumar; Ray, Partha Pratim; Ortega-Castro, Joaquín; Frontera, Antonio; Mukhopadhyay, Subrata","Anion-dependent structural variations and charge transport property analysis of 4′-(3-pyridyl)-4,2′:6′,4′′-terpyridinium salts","CrystEngComm","2021","23","19","3569","3581","10.1039/D1CE00248A","","","0.71073","MoKα","","0.081","0.074","","","0.2187","0.2272","","","","","","1.064","","","","has coordinates","265948","2021-06-05","18:08:56",""
"7242680","28.619","0.0012","14.2049","0.0005","14.1485","0.0006","90","","100.174","0.0014","90","","5661.4","0.4","150","2","150.01","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C47 H55 Ce2 N5 O20 -","- C47 H55 Ce2 N5 O20 -","- C188 H220 Ce8 N20 O80 -","4","0.5","","Xue, Yun-Shan; Ding, Ji; Sun, Dan-Ling; Cheng, Wei-Wei; Chen, Xuan-Rong; Huang, Xing-Cai; Wang, Jun","3D Ln-MOFs as multi-responsive luminescent probes for efficient sensing of Fe3+, Cr2O72−, and antibiotics in aqueous solution","CrystEngComm","2021","23","21","3838","3848","10.1039/D1CE00399B","","","0.71073","MoKα","","0.0464","0.0419","","","0.1","0.1019","","","","","","1.233","","","","has coordinates,has disorder","265993","2021-06-05","18:20:51",""
"7242681","28.4297","0.0013","14.2555","0.0006","13.8161","0.0005","90","","100.144","0.002","90","","5511.9","0.4","150","2","150.02","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C47 H53 Gd2 N5 O19 -","- C47 H53 Gd2 N5 O19 -","- C188 H212 Gd8 N20 O76 -","4","0.5","","Xue, Yun-Shan; Ding, Ji; Sun, Dan-Ling; Cheng, Wei-Wei; Chen, Xuan-Rong; Huang, Xing-Cai; Wang, Jun","3D Ln-MOFs as multi-responsive luminescent probes for efficient sensing of Fe3+, Cr2O72−, and antibiotics in aqueous solution","CrystEngComm","2021","23","21","3838","3848","10.1039/D1CE00399B","","","0.71073","MoKα","","0.0492","0.0441","","","0.1195","0.1218","","","","","","1.087","","","","has coordinates,has disorder","265993","2021-06-05","18:20:52",""
"7242682","28.698","0.004","14.307","0.002","13.8772","0.0019","90","","99.521","0.004","90","","5619.2","1.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H23 Eu N2 O9 -","- C22 H23 Eu N2 O9 -","- C176 H184 Eu8 N16 O72 -","8","1","","Xue, Yun-Shan; Ding, Ji; Sun, Dan-Ling; Cheng, Wei-Wei; Chen, Xuan-Rong; Huang, Xing-Cai; Wang, Jun","3D Ln-MOFs as multi-responsive luminescent probes for efficient sensing of Fe3+, Cr2O72−, and antibiotics in aqueous solution","CrystEngComm","2021","23","21","3838","3848","10.1039/D1CE00399B","","","0.71073","MoKα","","0.0886","0.0554","","","0.1552","0.1687","","","","","","1.094","","","","has coordinates,has disorder","265993","2021-06-05","18:20:52",""
"7242683","19.6983","0.001","19.6983","0.001","45.34","0.002","90","","90","","120","","15236","1.3","150","2","150.01","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C32 H23 Dy2 O16.5 -","- C32 H23 Dy2 O16.5 -","- C288 H207 Dy18 O148.5 -","9","0.5","","Xue, Yun-Shan; Ding, Ji; Sun, Dan-Ling; Cheng, Wei-Wei; Chen, Xuan-Rong; Huang, Xing-Cai; Wang, Jun","3D Ln-MOFs as multi-responsive luminescent probes for efficient sensing of Fe3+, Cr2O72−, and antibiotics in aqueous solution","CrystEngComm","2021","23","21","3838","3848","10.1039/D1CE00399B","","","0.71073","MoKα","","0.0436","0.0371","","","0.1042","0.1087","","","","","","1.057","","","","has coordinates,has disorder","265993","2021-06-05","18:20:52",""
"7242684","28.5809","0.0012","14.1925","0.0006","14.113","0.0005","90","","99.9937","0.0013","90","","5637.9","0.4","150","2","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C47 H53 N5 O19 Pr2 -","- C47 H53 N5 O19 Pr2 -","- C188 H212 N20 O76 Pr8 -","4","0.5","","Xue, Yun-Shan; Ding, Ji; Sun, Dan-Ling; Cheng, Wei-Wei; Chen, Xuan-Rong; Huang, Xing-Cai; Wang, Jun","3D Ln-MOFs as multi-responsive luminescent probes for efficient sensing of Fe3+, Cr2O72−, and antibiotics in aqueous solution","CrystEngComm","2021","23","21","3838","3848","10.1039/D1CE00399B","","","0.71073","MoKα","","0.0466","0.0437","","","0.1029","0.1042","","","","","","1.169","","","","has coordinates,has disorder","265993","2021-06-05","18:20:52",""
"7242685","28.531","0.002","14.3021","0.0009","13.7731","0.0009","90","","100.718","0.002","90","","5522.1","0.6","150","2","149.99","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C47 H53 N5 O19 Sm2 -","- C47 H53 N5 O19 Sm2 -","- C188 H212 N20 O76 Sm8 -","4","0.5","","Xue, Yun-Shan; Ding, Ji; Sun, Dan-Ling; Cheng, Wei-Wei; Chen, Xuan-Rong; Huang, Xing-Cai; Wang, Jun","3D Ln-MOFs as multi-responsive luminescent probes for efficient sensing of Fe3+, Cr2O72−, and antibiotics in aqueous solution","CrystEngComm","2021","23","21","3838","3848","10.1039/D1CE00399B","","","0.71073","MoKα","","0.0566","0.0428","","","0.1071","0.1125","","","","","","1.06","","","","has coordinates,has disorder","265993","2021-06-05","18:20:52",""
"7242686","19.6548","0.0011","19.6548","0.0011","45.295","0.003","90","","90","","120","","15153.7","1.6","150","2","150.01","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C32 H23 Ho2 O16.5 -","- C32 H23 Ho2 O16.5 -","- C288 H207 Ho18 O148.5 -","9","0.5","","Xue, Yun-Shan; Ding, Ji; Sun, Dan-Ling; Cheng, Wei-Wei; Chen, Xuan-Rong; Huang, Xing-Cai; Wang, Jun","3D Ln-MOFs as multi-responsive luminescent probes for efficient sensing of Fe3+, Cr2O72−, and antibiotics in aqueous solution","CrystEngComm","2021","23","21","3838","3848","10.1039/D1CE00399B","","","0.71073","MoKα","","0.0533","0.0424","","","0.1246","0.1305","","","","","","1.086","","","","has coordinates,has disorder","265993","2021-06-05","18:20:52",""
"7242687","10.5841","0.0011","7.8503","0.0006","14.9718","0.0013","90","","101.399","0.009","90","","1219.44","0.19","293.3","0.7","293.3","0.7","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Clotam, Tolfedine,2-[(3-Chloro-2-methylphenyl)amino]benzoic Acid","tolfenamic acid","","- C14 H12 Cl N O2 -","- C14 H12 Cl N O2 -","- C56 H48 Cl4 N4 O8 -","4","1","","Sacchi, Pietro; Reutzel-Edens, Susan M.; Cruz-Cabeza, Aurora J.","The unexpected discovery of the ninth polymorph of tolfenamic acid","CrystEngComm","2021","23","20","3636","3647","10.1039/D1CE00343G","","x-ray","0.71073","MoKα","","0.1288","0.0577","","","0.0992","0.1247","","","","","","1.038","","","","has coordinates","265965","2021-06-05","18:12:12",""
"7242694","24.2206","0.001","18.2735","0.001","17.7634","0.0008","90","","90","","90","","7862","0.6","293","2","293.15","","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C28 H24 Cu2 N2 O10 -","- C28 H24 Cu2 N2 O10 -","- C224 H192 Cu16 N16 O80 -","8","1","","Li, Anqi; Ma, Xiaofan; Ma, Jie; Yuan, Qingyi; Zhang, Jun; Xuan, Xiaopeng","A self-made portable separation device based on 2-D MOF nanosheets for the efficient separation of dyes in solutions","CrystEngComm","2021","23","22","3989","3994","10.1039/D1CE00251A","","x-ray","1.54184","CuKα","","0.1148","0.0851","","","0.1985","0.2118","","","","","","0.968","","","","has coordinates,has disorder","267113","2021-07-05","17:08:19",""
"7242698","11.385","0.004","5.4371","0.0018","14.32","0.005","90","","105.333","0.005","90","","854.9","0.5","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Co N4 -","- C24 H20 Co N4 -","- C48 H40 Co2 N8 -","2","0.5","","Takahashi, Yukihiro; Ishida, Kenshiro; Matsuno, Sarasa; Kurokawa, Masashi; Shimada, Takuro; Harada, Jun; Inabe, Tamotsu","Charge injection phenomena at the contact interface between (5,10,15,20-tetramethylporphyrinato)cobalt(ii) and 2,5-difluoro-7,7,8,8-tetracyanoquinodimethane single crystals","CrystEngComm","2021","23","22","3975","3980","10.1039/D1CE00299F","","","0.71073","MoKα","","0.0818","0.0593","","","0.1303","0.1394","","","","","","1.091","","","","has coordinates","267117","2021-07-05","17:08:57",""
"7242699","8.4385","0.0017","11.64","0.002","15.505","0.003","72.57","0.006","78.032","0.007","77.754","0.007","1403","0.5","170","","170","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H17 N O -","- C18 H17 N O -","- C72 H68 N4 O4 -","4","2","","Miao, Le-Ping; Qi, Qi; Han, Xiang-Bin; Zhang, Wen","DCM self-trapping by the host deformation in flexible host‒guest molecules","CrystEngComm","2021","23","23","4136","4142","10.1039/D1CE00301A","","","0.71073","MoKα","","0.0997","0.0545","","","0.1182","0.1435","","","","","","1.022","","","","has coordinates","267130","2021-07-05","17:13:17",""
"7242700","11.6933","0.0006","19.4475","0.0009","15.7924","0.0007","90","","104.568","0.005","90","","3475.8","0.3","150","0.1","150","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C75 H59 Cl9 Ir2 N6 O4 -","- C75 H59 Cl9 Ir2 N6 O4 -","- C150 H118 Cl18 Ir4 N12 O8 -","2","1","","Miao, Le-Ping; Qi, Qi; Han, Xiang-Bin; Zhang, Wen","DCM self-trapping by the host deformation in flexible host‒guest molecules","CrystEngComm","2021","23","23","4136","4142","10.1039/D1CE00301A","","x-ray","0.71073","MoKα","","0.0853","0.0597","","","0.1279","0.1396","","","","","","1.015","","","","has coordinates","267130","2021-07-05","17:13:17",""
"7242701","9.5848","0.0006","11.213","0.0006","15.3359","0.0006","79.265","0.004","87.618","0.004","83.077","0.005","1607.26","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Rac-pq-DL-pca","","- C36 H30 Ir N3 O2 -","- C36 H30 Ir N3 O2 -","- C72 H60 Ir2 N6 O4 -","2","1","","Miao, Le-Ping; Qi, Qi; Han, Xiang-Bin; Zhang, Wen","DCM self-trapping by the host deformation in flexible host‒guest molecules","CrystEngComm","2021","23","23","4136","4142","10.1039/D1CE00301A","","","1.54184","CuKα","","0.0659","0.0532","","","0.1317","0.1622","","","","","","1.186","","","","has coordinates","267130","2021-07-05","17:13:17",""
"7242702","10.9116","0.0009","12.8156","0.0008","11.1952","0.001","90","","116.915","0.011","90","","1395.9","0.2","293","2","293.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H28 Ir N3 O2 -","- C36 H28 Ir N3 O2 -","- C72 H56 Ir2 N6 O4 -","2","1","","Miao, Le-Ping; Qi, Qi; Han, Xiang-Bin; Zhang, Wen","DCM self-trapping by the host deformation in flexible host‒guest molecules","CrystEngComm","2021","23","23","4136","4142","10.1039/D1CE00301A","","","1.54184","CuKα","","0.0538","0.0501","","","0.1239","0.1296","","","","","","1.09","","","","has coordinates","267130","2021-07-05","17:13:17",""
"7242703","17.1672","0.0003","17.1672","0.0003","11.4013","0.0004","90","","90","","90","","3360.11","0.14","293","2","293","2","","","","","","","","5","P 43","P 4cw","78","","Δ-D-pca","","- C37 H34 Ir N3 O3 -","- C37 H34 Ir N3 O3 -","- C148 H136 Ir4 N12 O12 -","4","1","","Miao, Le-Ping; Qi, Qi; Han, Xiang-Bin; Zhang, Wen","DCM self-trapping by the host deformation in flexible host‒guest molecules","CrystEngComm","2021","23","23","4136","4142","10.1039/D1CE00301A","","","0.71073","MoKα","","0.0482","0.0395","","","0.0855","0.0889","","","","","","1.004","","","","has coordinates","267130","2021-07-05","17:13:17",""
"7242704","11.0806","0.0002","14.0971","0.0003","27.4716","0.0006","90","","96.807","0.002","90","","4260.93","0.15","100.5","0.7","100.5","0.7","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C84 H120 Cl8 N6 O4 Zn2 -","- C84 H120 Cl8 N6 O4 Zn2 -","- C168 H240 Cl16 N12 O8 Zn4 -","2","0.5","","Miao, Le-Ping; Qi, Qi; Han, Xiang-Bin; Zhang, Wen","DCM self-trapping by the host deformation in flexible host‒guest molecules","CrystEngComm","2021","23","23","4136","4142","10.1039/D1CE00301A","","","0.71073","MoKα","","0.0954","0.0806","","","0.2378","0.2496","","","","","","1.045","","","","has coordinates","267130","2021-07-05","17:13:17",""
"7242705","7.119","0.0003","20.3309","0.0011","9.5266","0.0004","90","","96.058","0.002","90","","1371.14","0.11","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C72 H60 N4 O8 -","4","1","","Miao, Le-Ping; Qi, Qi; Han, Xiang-Bin; Zhang, Wen","DCM self-trapping by the host deformation in flexible host‒guest molecules","CrystEngComm","2021","23","23","4136","4142","10.1039/D1CE00301A","","","0.71073","MoKα","","0.1189","0.0584","","","0.1311","0.1651","","","","","","1.034","","","","has coordinates","267130","2021-07-05","17:13:17",""
"7242706","8.5788","0.0003","11.5484","0.0004","15.5295","0.0004","71.665","0.001","76.089","0.001","77.225","0.001","1399.8","0.08","150","","150","","","","","","","","","5","P -1","-P 1","2","","3ma","","- C18 H16 F N O -","- C18 H16 F N O -","- C72 H64 F4 N4 O4 -","4","2","","Miao, Le-Ping; Qi, Qi; Han, Xiang-Bin; Zhang, Wen","DCM self-trapping by the host deformation in flexible host‒guest molecules","CrystEngComm","2021","23","23","4136","4142","10.1039/D1CE00301A","","","0.71073","MoKα","","0.0754","0.0475","","","0.1042","0.127","","","","","","1.04","","","","has coordinates","267130","2021-07-05","17:13:17",""
"7242707","11.172","0.0003","14.4058","0.0003","28.4891","0.0008","90","","99.187","0.002","90","","4526.3","0.2","372.99","0.13","372.99","0.13","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C84 H120 Cl8 N6 O4 Zn2 -","- C84 H120 Cl8 N6 O4 Zn2 -","- C168 H240 Cl16 N12 O8 Zn4 -","2","0.5","","Miao, Le-Ping; Qi, Qi; Han, Xiang-Bin; Zhang, Wen","DCM self-trapping by the host deformation in flexible host‒guest molecules","CrystEngComm","2021","23","23","4136","4142","10.1039/D1CE00301A","","","0.71073","MoKα","","0.1224","0.0752","","","0.2266","0.2553","","","","","","1.024","","","","has coordinates,has disorder","267130","2021-07-05","17:13:17",""
"7242708","11.1207","0.0003","14.2524","0.0003","28.2337","0.0007","90","","98.503","0.002","90","","4425.76","0.19","292.98","0.1","292.98","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C84 H120 Cl8 N6 O4 Zn2 -","- C84 H120 Cl8 N6 O4 Zn2 -","- C168 H240 Cl16 N12 O8 Zn4 -","2","0.5","","Miao, Le-Ping; Qi, Qi; Han, Xiang-Bin; Zhang, Wen","DCM self-trapping by the host deformation in flexible host‒guest molecules","CrystEngComm","2021","23","23","4136","4142","10.1039/D1CE00301A","","","0.71073","MoKα","","0.098","0.0635","","","0.1919","0.2144","","","","","","1.048","","","","has coordinates,has disorder","267130","2021-07-05","17:13:17",""
"7242709","11.0967","0.0002","14.131","0.0003","27.593","0.0006","90","","97.044","0.002","90","","4294.13","0.15","152.95","0.1","152.95","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C84 H120 Cl8 N6 O4 Zn2 -","- C84 H120 Cl8 N6 O4 Zn2 -","- C168 H240 Cl16 N12 O8 Zn4 -","2","0.5","","Miao, Le-Ping; Qi, Qi; Han, Xiang-Bin; Zhang, Wen","DCM self-trapping by the host deformation in flexible host‒guest molecules","CrystEngComm","2021","23","23","4136","4142","10.1039/D1CE00301A","","","0.71073","MoKα","","0.0953","0.0775","","","0.229","0.2421","","","","","","1.036","","","","has coordinates","267130","2021-07-05","17:13:17",""
"7242710","11.1435","0.0003","14.3229","0.0004","28.3951","0.0009","90","","98.853","0.003","90","","4478.1","0.2","332.99","0.1","332.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C84 H120 Cl8 N6 O4 Zn2 -","- C84 H120 Cl8 N6 O4 Zn2 -","- C168 H240 Cl16 N12 O8 Zn4 -","2","0.5","","Miao, Le-Ping; Qi, Qi; Han, Xiang-Bin; Zhang, Wen","DCM self-trapping by the host deformation in flexible host‒guest molecules","CrystEngComm","2021","23","23","4136","4142","10.1039/D1CE00301A","","","0.71073","MoKα","","0.1092","0.0648","","","0.1934","0.221","","","","","","1.018","","","","has coordinates,has disorder","267130","2021-07-05","17:13:17",""
"7242711","11.1134","0.0002","14.2035","0.0003","28.0547","0.0007","90","","98.077","0.002","90","","4384.48","0.17","252.98","0.1","252.98","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C84 H120 Cl8 N6 O4 Zn2 -","- C84 H120 Cl8 N6 O4 Zn2 -","- C168 H240 Cl16 N12 O8 Zn4 -","2","0.5","","Miao, Le-Ping; Qi, Qi; Han, Xiang-Bin; Zhang, Wen","DCM self-trapping by the host deformation in flexible host‒guest molecules","CrystEngComm","2021","23","23","4136","4142","10.1039/D1CE00301A","","","0.71073","MoKα","","0.11","0.083","","","0.2268","0.2477","","","","","","1.046","","","","has coordinates,has disorder","267130","2021-07-05","17:13:17",""
"7242712","10.5542","0.0002","17.6038","0.0004","16.6076","0.0003","90","","91.163","0.002","90","","3084.96","0.11","298","","298","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C72 H54 Ir2 N6 O4 -","- C72 H53 Ir2 N6 O4 -","- C144 H106 Ir4 N12 O8 -","2","1","","Miao, Le-Ping; Qi, Qi; Han, Xiang-Bin; Zhang, Wen","DCM self-trapping by the host deformation in flexible host‒guest molecules","CrystEngComm","2021","23","23","4136","4142","10.1039/D1CE00301A","","","0.71073","MoKα","","0.0348","0.0334","","","0.094","0.0951","","","","","","1.09","","","","has coordinates","267130","2021-07-05","17:13:17",""
"7242713","12.1359","0.0003","13.8894","0.0003","13.9395","0.0003","92.898","0.002","97.773","0.002","100.49","0.002","2282.32","0.09","130","2","129.9","0.6","","","","","","","","6","P -1","-P 1","2","","","","- C32 H28 N16 Na4 O12 W2 -","- C32 H28 N16 Na4 O12 W2 -","- C64 H56 N32 Na8 O24 W4 -","2","1","","Hodorowicz, Maciej; Jurowska, Anna; Szklarzewicz, Janusz","Unusual structural changes going from Li+ to Cs+ in [W(CN)6(bpy)]2− ion salts: the Na+ case","CrystEngComm","2021","23","24","4301","4311","10.1039/D1CE00328C","","","0.7107","MoKα","","0.0575","0.0349","","","0.0629","0.0711","","","","","","1.07","","","","has coordinates","267099","2021-07-05","17:04:07",""
"7242714","8.5595","0.0002","9.8622","0.0001","13.8861","0.0003","94.349","0.001","99.66","0.002","98.206","0.001","1137.75","0.04","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H11 N9 Na2 O4.9 W -","- C18 H11 N9 Na2 O4.872 W -","- C36 H22 N18 Na4 O9.744 W2 -","2","1","","Hodorowicz, Maciej; Jurowska, Anna; Szklarzewicz, Janusz","Unusual structural changes going from Li+ to Cs+ in [W(CN)6(bpy)]2− ion salts: the Na+ case","CrystEngComm","2021","23","24","4301","4311","10.1039/D1CE00328C","","","0.71073","MoKα","","0.0542","0.0469","","","0.1191","0.1232","","","","","","1.076","","","","has coordinates,has disorder","267099","2021-07-05","17:04:07",""
"7242716","11.4747","0.0007","26.5116","0.0014","15.3274","0.0009","90","","103.836","0.006","90","","4527.5","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H36 Dy F9 N2 O6 -","- C45 H36 Dy F9 N2 O6 -","- C180 H144 Dy4 F36 N8 O24 -","4","1","","Shen, Nan; Liang, Jing; Qu, Xiaoni; Liu, Sha; Zhu, Lin; Zhang, Sheng; Chen, Ling; Zhang, Jiangwei; Hu, Dengwei; Yin, Bing","The influence of organic bases and substituted groups on coordination structures affording two mononuclear Dy(iii) single-molecule magnets (SMMs) and a novel Dy(iii)‒K(i) compound with unusually coordinated fluorine atoms","CrystEngComm","2021","23","22","4013","4027","10.1039/D1CE00431J","","","1.54184","CuKα","","0.1743","0.088","","","0.1966","0.283","","","","","","0.999","","","","has coordinates","267115","2021-07-05","17:08:43",""
"7242717","12.7036","0.0011","12.9201","0.0012","16.3475","0.0015","78.309","0.008","76.098","0.008","65.756","0.009","2358.4","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C93 H72 Dy2 F24 K N O16 -","- C93 H72 Dy2 F24 K N O16 -","- C93 H72 Dy2 F24 K N O16 -","1","0.5","","Shen, Nan; Liang, Jing; Qu, Xiaoni; Liu, Sha; Zhu, Lin; Zhang, Sheng; Chen, Ling; Zhang, Jiangwei; Hu, Dengwei; Yin, Bing","The influence of organic bases and substituted groups on coordination structures affording two mononuclear Dy(iii) single-molecule magnets (SMMs) and a novel Dy(iii)‒K(i) compound with unusually coordinated fluorine atoms","CrystEngComm","2021","23","22","4013","4027","10.1039/D1CE00431J","","x-ray","1.54184","CuKα","","0.13","0.0876","","","0.1865","0.2279","","","","","","1.037","","","","has coordinates,has disorder","267115","2021-07-05","17:08:43",""
"7242718","45.84","0.002","19.6673","0.0006","25.2882","0.0011","90","","115.257","0.003","90","","20619.1","1.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C102 H68 Dy2 F18 N8 O12 -","- C102 H68 Dy2 F18 N8 O12 -","- C816 H544 Dy16 F144 N64 O96 -","8","1","","Shen, Nan; Liang, Jing; Qu, Xiaoni; Liu, Sha; Zhu, Lin; Zhang, Sheng; Chen, Ling; Zhang, Jiangwei; Hu, Dengwei; Yin, Bing","The influence of organic bases and substituted groups on coordination structures affording two mononuclear Dy(iii) single-molecule magnets (SMMs) and a novel Dy(iii)‒K(i) compound with unusually coordinated fluorine atoms","CrystEngComm","2021","23","22","4013","4027","10.1039/D1CE00431J","","","1.54184","CuKα","","0.135","0.0845","","","0.2448","0.3027","","","","","","0.944","","","","has coordinates","267115","2021-07-05","17:08:43",""
"7242719","13.9641","0.0006","13.0136","0.0005","11.2102","0.0005","90","","101.341","0.001","90","","1997.38","0.15","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C22 H23 N3 O4 -","- C22 H23 N3 O4 -","- C88 H92 N12 O16 -","4","2","","Thorat, Shridhar H.; George, Christy P.; Shaligram, Parth S.; P. R., Suresha; Gonnade, Rajesh G.","Polymorphs and hydrates of the anticancer drug erlotinib: X-ray crystallography, phase transition and biopharmaceutical studies","CrystEngComm","2021","23","22","3961","3974","10.1039/D1CE00032B","","","0.71073","MoKα","","0.0536","0.0511","","","0.134","0.1363","","","","","","1.064","","","","has coordinates","267118","2021-07-05","17:09:09",""
"7242720","10.945","0.003","13.203","0.005","15.214","0.005","111.931","0.012","95.97","0.012","94.038","0.012","2014.1","1.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H25 N3 O5 -","- C22 H25 N3 O5 -","- C88 H100 N12 O20 -","4","2","","Thorat, Shridhar H.; George, Christy P.; Shaligram, Parth S.; P. R., Suresha; Gonnade, Rajesh G.","Polymorphs and hydrates of the anticancer drug erlotinib: X-ray crystallography, phase transition and biopharmaceutical studies","CrystEngComm","2021","23","22","3961","3974","10.1039/D1CE00032B","","","0.71073","MoKα","","0.0415","0.0362","","","0.1105","0.1156","","","","","","1.028","","","","has coordinates","267118","2021-07-05","17:09:10",""
"7242721","4.883","0.0001","15.353","0.0005","30.034","0.0008","90","","93.087","0.001","90","","2248.34","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H29 N3 O7 -","- C22 H29 N3 O7 -","- C88 H116 N12 O28 -","4","1","","Thorat, Shridhar H.; George, Christy P.; Shaligram, Parth S.; P. R., Suresha; Gonnade, Rajesh G.","Polymorphs and hydrates of the anticancer drug erlotinib: X-ray crystallography, phase transition and biopharmaceutical studies","CrystEngComm","2021","23","22","3961","3974","10.1039/D1CE00032B","","","0.71073","MoKα","","0.0464","0.0419","","","0.1109","0.1146","","","","","","1.047","","","","has coordinates,has disorder","267118","2021-07-05","17:09:10",""
"7242722","9.4972","0.0018","14.745","0.003","13.181","0.002","90","","90","","90","","1845.8","0.6","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C16 H8 Br4 N2 O4 -","- C16 H8 Br4 N2 O4 -","- C64 H32 Br16 N8 O16 -","4","0.5","","Singha, Soumen; Jana, Rajkumar; Mondal, Rituparna; Ray, Partha Pratim; Bag, Partha Pratim; Gupta, Kajal; Pakhira, Nandan; Rizzoli, Corrado; Mallick, Arabinda; Kumar, Sanjay; Saha, Rajat","Photo-responsive Schottky diode behavior of a donor‒acceptor co-crystal with violet blue light emission","CrystEngComm","2021","23","19","3510","3523","10.1039/D1CE00020A","","","0.71073","MoKα","","0.053","0.0278","","","0.054","0.0624","","","","","","1.017","","","","has coordinates","265949","2021-06-05","18:09:09",""
"7242723","17.673","0.004","8.2835","0.0016","21.405","0.003","90","","109.922","0.012","90","","2946","1","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H38 Cl N7 O5 S -","- C25 H38 Cl N7 O5 S -","- C100 H152 Cl4 N28 O20 S4 -","4","1","","Ahmadi, Soroush; Mondal, Pradip Kumar; Mirmehrabi, Mahmoud; Rohani, Sohrab","Desolvation of dasatinib methanolate: an improved anhydrous polymorph","CrystEngComm","2021","23","24","4272","4283","10.1039/D1CE00337B","","","0.71073","MoKα","","0.0749","0.0492","","","0.1223","0.1392","","","","","","1.041","","","","has coordinates,has disorder","267108","2021-07-05","17:06:50",""
"7242724","7.6879","0.0001","16.0216","0.0004","25.5781","0.0006","90","","90","","90","","3150.52","0.12","293","2","293","2","","","","","","","synthesis as described","5","P b n b","-P 2bc 2ab","56","Compound MOF","","","- C31 H30 Co2 N4 O12 -","- C31 H30 Co2 N4 O12 -","- C124 H120 Co8 N16 O48 -","4","0.5","","Ramírez, Daniel J.; Alfonso Herrera, Luis A.; Colorado-Peralta, Raúl; Rodríguez, Rodolfo Peña; Camarillo Reyes, P. K.; Chiñas, Lidia Elena; Sánchez, Mario; Rivera, José María","Highly efficient methyl orange adsorption by UV-012, a new crystalline Co(ii) MOF","CrystEngComm","2021","23","19","3537","3548","10.1039/D0CE00741B","","x-ray","0.71073","MoKα","","0.1092","0.0687","","","0.1972","0.2266","","","","","","1.092","","","","has coordinates","265953","2021-06-05","18:10:11",""
"7242725","12.501","0.003","7.2941","0.0015","15.655","0.003","90","","102.12","0.03","90","","1395.7","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H6 Cd N O6 -","- C14 H6 Cd N O6 -","- C56 H24 Cd4 N4 O24 -","4","1","","Tao, Yufang; Jiang, Yansong; Huang, Yating; Liu, Junning; Zhang, Ping; Chen, Xiaodong; Fan, Yong; Wang, Li; Xu, Jianing","Carbon dots@metal‒organic frameworks as dual-functional fluorescent sensors for Fe3+ ions and nitro explosives","CrystEngComm","2021","23","22","4038","4049","10.1039/D1CE00392E","","","0.71073","MoKα","","0.0292","0.0262","","","0.0757","0.0777","","","","","","1.16","","","","has coordinates","267110","2021-07-05","17:07:17",""
"7242726","15.1651","0.0003","10.8557","0.0002","16.4832","0.0003","90","","104.808","0.001","90","","2623.47","0.09","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H12 Cd3 N2 O12 -","- C28 H12 Cd3 N2 O12 -","- C112 H48 Cd12 N8 O48 -","4","0.5","","Tao, Yufang; Jiang, Yansong; Huang, Yating; Liu, Junning; Zhang, Ping; Chen, Xiaodong; Fan, Yong; Wang, Li; Xu, Jianing","Carbon dots@metal‒organic frameworks as dual-functional fluorescent sensors for Fe3+ ions and nitro explosives","CrystEngComm","2021","23","22","4038","4049","10.1039/D1CE00392E","","","0.71073","MoKα","","0.019","0.0186","","","0.0435","0.0437","","","","","","1.125","","","","has coordinates","267110","2021-07-05","17:07:17",""
"7242727","15.113","0.009","7.205","0.004","8.356","0.004","90","","90","","90","","909.9","0.9","250","0.1","250","0.1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C9 H11 N O2 -","- C9 H11 N O2 -","- C36 H44 N4 O8 -","4","0.5","","Szklarz, Przemysław; Kinzhybalo, Vasyl; Bator, Grażyna","Ferroelectricity and switching polarization on the C‒H⋯π bond in a pure organic molecular crystal ‒ 1,3,5-trimethylnitrobenzene","CrystEngComm","2021","23","22","4005","4012","10.1039/D1CE00381J","","x-ray","0.71073","MoKα","","0.0832","0.0513","","","0.1384","0.1647","","","","","","1.057","","","","has coordinates","267112","2021-07-05","17:08:10",""
"7242728","16.306","0.005","6.98","0.002","15.165","0.006","90","","90","","90","","1726","1","99.9","0.2","99.9","0.2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C9 H11 N O2 -","- C9 H11 N O2 -","- C72 H88 N8 O16 -","8","2","","Szklarz, Przemysław; Kinzhybalo, Vasyl; Bator, Grażyna","Ferroelectricity and switching polarization on the C‒H⋯π bond in a pure organic molecular crystal ‒ 1,3,5-trimethylnitrobenzene","CrystEngComm","2021","23","22","4005","4012","10.1039/D1CE00381J","","x-ray","0.71073","MoKα","","0.0588","0.0425","","","0.1079","0.1198","","","","","","1.056","","","","has coordinates","267112","2021-07-05","17:08:10",""
"7242729","8.9539","0.0009","11.8195","0.0011","15.091","0.0015","68.416","0.001","87.073","0.002","72.227","0.002","1410.8","0.2","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H46 N10 O14 Zn2 -","- C62 H46 N10 O14 Zn2 -","- C62 H46 N10 O14 Zn2 -","1","0.5","","Qi, Lei; Wang, Mei; Li, Xinheng","Graphene-induced growth of Co3O4 nanoplates with modulable oxygen vacancies for improved OER properties","CrystEngComm","2021","23","45","7928","7931","10.1039/D1CE00255D","","","0.71073","MoKα","","0.0656","0.0403","","","0.0925","0.1111","","","","","","1.007","","","","has coordinates","271181","2021-12-07","03:10:18",""
"7242730","10.5809","0.0004","14.2423","0.0005","15.2337","0.0005","96.467","0.001","94.236","0.001","96.373","0.001","2258.27","0.14","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C51 H35 Cd2 N5 O13 -","- C51 H35 Cd2 N5 O13 -","- C102 H70 Cd4 N10 O26 -","2","1","","Qi, Lei; Wang, Mei; Li, Xinheng","Graphene-induced growth of Co3O4 nanoplates with modulable oxygen vacancies for improved OER properties","CrystEngComm","2021","23","45","7928","7931","10.1039/D1CE00255D","","","0.71073","MoKα","","0.0386","0.0292","","","0.0719","0.0757","","","","","","1.051","","","","has coordinates","271181","2021-12-07","03:10:19",""
"7242731","8.9539","0.0009","11.8195","0.0011","15.091","0.0015","68.416","0.001","87.073","0.002","72.227","0.002","1410.8","0.2","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H46 N10 O14 Zn2 -","- C62 H46 N10 O14 Zn2 -","- C62 H46 N10 O14 Zn2 -","1","0.5","","Gong, Qin; Wang, Jun; Shi, Chuncheng; Liu, Qiang-Qiang; Lu, Lu; Singh, Amita; Kumar, Abhinav","1,3-Bis(4′-carboxylatophenoxy)benzene and 3,5-bis(1-imidazoly)pyridine derived Zn(ii)/Cd(ii) coordination polymers: synthesis, structure and photocatalytic properties","CrystEngComm","2021","23","22","3981","3988","10.1039/D1CE00498K","","","0.71073","MoKα","","0.0656","0.0403","","","0.0925","0.1111","","","","","","1.007","","","","has coordinates","267116","2021-07-05","17:08:51",""
"7242732","10.5809","0.0004","14.2423","0.0005","15.2337","0.0005","96.467","0.001","94.236","0.001","96.373","0.001","2258.27","0.14","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C51 H35 Cd2 N5 O13 -","- C51 H35 Cd2 N5 O13 -","- C102 H70 Cd4 N10 O26 -","2","1","","Gong, Qin; Wang, Jun; Shi, Chuncheng; Liu, Qiang-Qiang; Lu, Lu; Singh, Amita; Kumar, Abhinav","1,3-Bis(4′-carboxylatophenoxy)benzene and 3,5-bis(1-imidazoly)pyridine derived Zn(ii)/Cd(ii) coordination polymers: synthesis, structure and photocatalytic properties","CrystEngComm","2021","23","22","3981","3988","10.1039/D1CE00498K","","","0.71073","MoKα","","0.0386","0.0292","","","0.0719","0.0757","","","","","","1.051","","","","has coordinates","267116","2021-07-05","17:08:52",""
"7242741","7.1516","0.0005","15.1815","0.001","10.5616","0.0007","90","","90.44","0.002","90","","1146.66","0.13","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 Dy O8 -","- C10 H11 Dy O8 -","- C40 H44 Dy4 O32 -","4","1","","Sen, Rupam; Paul, Sanchayeeta; Sarkar, Alolika; Botas, Alexandre M. P.; Carneiro Neto, Albano N.; Brandão, Paula; Lopes, Armandina M. L.; Ferreira, Rute A. S.; Araújo, João P.; Lin, Zhi","A new series of 3D lanthanide phenoxycarboxylates: synthesis, crystal structure, magnetism and photoluminescence studies","CrystEngComm","2021","23","23","4143","4151","10.1039/D1CE00228G","","","0.71073","MoKα","","0.0258","0.0227","","","0.0564","0.058","","","","","","1.079","","","","has coordinates","267131","2021-07-05","17:13:28",""
"7242742","7.1288","0.0002","15.1653","0.0004","10.5514","0.0003","90","","90.462","0.001","90","","1140.68","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 O8 Tb -","- C10 H11 O8 Tb -","- C40 H44 O32 Tb4 -","4","1","","Sen, Rupam; Paul, Sanchayeeta; Sarkar, Alolika; Botas, Alexandre M. P.; Carneiro Neto, Albano N.; Brandão, Paula; Lopes, Armandina M. L.; Ferreira, Rute A. S.; Araújo, João P.; Lin, Zhi","A new series of 3D lanthanide phenoxycarboxylates: synthesis, crystal structure, magnetism and photoluminescence studies","CrystEngComm","2021","23","23","4143","4151","10.1039/D1CE00228G","","","0.71073","MoKα","","0.0347","0.0241","","","0.0437","0.0475","","","","","","1.047","","","","has coordinates","267131","2021-07-05","17:13:28",""
"7242743","7.0577","0.0004","15.098","0.0007","10.5128","0.0005","90","","90.412","0.002","90","","1120.19","0.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 La O8 -","- C10 H7 La O8 -","- C40 H28 La4 O32 -","4","1","","Sen, Rupam; Paul, Sanchayeeta; Sarkar, Alolika; Botas, Alexandre M. P.; Carneiro Neto, Albano N.; Brandão, Paula; Lopes, Armandina M. L.; Ferreira, Rute A. S.; Araújo, João P.; Lin, Zhi","A new series of 3D lanthanide phenoxycarboxylates: synthesis, crystal structure, magnetism and photoluminescence studies","CrystEngComm","2021","23","23","4143","4151","10.1039/D1CE00228G","","","0.71073","MoKα","","0.0344","0.0321","","","0.0908","0.0926","","","","","","1.091","","","","has coordinates","267131","2021-07-05","17:13:28",""
"7242744","11.3341","0.0011","21.413","0.002","14.0095","0.0013","90","","108.101","0.002","90","","3231.8","0.5","296","2","296.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C32 H40 N16 Ni2 O36 P0 S4 W10 -","- C32 H40 N16 Ni2 O36 S4 W10 -","- C64 H80 N32 Ni4 O72 S8 W20 -","2","0.5","","Xing, Cuili; Ma, Pengtao; Zhao, Meng; Chang, Jiangnan; Guo, Xiaoyuan; Sun, Lin; Li, Mingxue","Facile and green synthesis of decatungstate-based nickel(ii) complex coated onto modified Fe3O4 nanoparticles with enhanced antimicrobial activity against antibiotic-resistant bacteria","CrystEngComm","2021","23","21","3919","3928","10.1039/D1CE00421B","","","0.71073","MoKα","","0.0477","0.0385","","","0.0945","0.0985","","","","","","1.022","","","","has coordinates","265994","2021-06-05","18:21:00",""
"7242745","12.1026","0.0004","16.5399","0.0008","19.7752","0.0007","90","","90","","90","","3958.5","0.3","293","2","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H18 N2 O6 Zn -","- C21 H18 N2 O6 Zn -","- C168 H144 N16 O48 Zn8 -","8","1","","Wang, San-Tai; Zheng, Xiao; Zhang, Shu-Hua; Li, Guangzhao; Xiao, Yu","A study of GUPT-2, a water-stable zinc-based metal‒organic framework as a highly selective and sensitive fluorescent sensor in the detection of Al3+ and Fe3+ ions","CrystEngComm","2021","23","22","4059","4068","10.1039/D1CE00323B","","x-ray","0.71073","MoKα","","0.1049","0.0656","","","0.158","0.186","","","","","","1.028","","","","has coordinates","267119","2021-07-05","17:09:17",""
"7242756","15.5044","0.0013","7.5706","0.0005","17.2282","0.0015","90","","110.423","0.002","90","","1895.1","0.3","301","2","301.18","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H0.25 Cl N2 O5 Zn -","- C18 H11 Cl N2 O5 Zn -","- C72 H44 Cl4 N8 O20 Zn4 -","4","1","","Liu, Qing; Liu, Lu; Yu, Cao-Ming; Li, Pei-Xin; Guo, Guo-Cong","Two viologen-based photoluminescent compounds: excitation-wavelength-dependent and photoirradiation-time-dependent photoluminescent switches","CrystEngComm","2021","23","21","3856","3860","10.1039/D1CE00072A","","","0.71073","MoKα","","0.1124","0.0997","","","0.3133","0.3304","","","","","","1.444","","","","has coordinates","265996","2021-06-05","18:21:19",""
"7242757","15.4911","0.0004","7.5672","0.0002","17.2289","0.0005","90","","110.483","0.003","90","","1891.95","0.1","300.49","0.1","300.49","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 Cd Cl N2 O3.75 -","- C18 H13 Cd Cl N2 O5 -","- C72 H52 Cd4 Cl4 N8 O20 -","4","1","","Liu, Qing; Liu, Lu; Yu, Cao-Ming; Li, Pei-Xin; Guo, Guo-Cong","Two viologen-based photoluminescent compounds: excitation-wavelength-dependent and photoirradiation-time-dependent photoluminescent switches","CrystEngComm","2021","23","21","3856","3860","10.1039/D1CE00072A","","x-ray","0.71073","MoKα","","0.0578","0.0497","","","0.1791","0.1873","","","","","","1.436","","","","has coordinates","265996","2021-06-05","18:21:19",""
"7242758","3.8289","0.0004","17.8979","0.0017","16.8534","0.0016","90","","92.005","0.003","90","","1154.2","0.2","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Cadmium-organic Compound","","","- C11 H7 Cd N O5 S -","- C11 H7 Cd N O5 S -","- C44 H28 Cd4 N4 O20 S4 -","4","1","","Majee, Prakash; Singha, Debal Kanti; Daga, Pooja; Hui, Sayani; Mahata, Partha; Mondal, Sudip Kumar","Photophysical studies of a room temperature phosphorescent Cd(ii) based MOF and its application towards ratiometric detection of Hg2+ ions in water","CrystEngComm","2021","23","23","4160","4168","10.1039/D1CE00333J","","","0.71073","MoKα","","0.0378","0.0331","","","0.1063","0.1171","","","","","","1.361","","","","has coordinates","267132","2021-07-05","17:13:34",""
"7242759","7.878","0.0006","3.9147","0.0004","15.6886","0.0014","90","","102.569","0.007","90","","472.24","0.07","163","","163","0.02","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","AnthraQuinone","9,10-Anthracenedione","","- C14 H8 O2 -","- C14 H8 O2 -","- C28 H16 O4 -","2","0.5","","Rather, Sumair A.; Saha, Binoy K.","Understanding the elastic bending mechanism in a 9,10-anthraquinone crystal through thermal expansion study","CrystEngComm","2021","23","34","5768","5773","10.1039/D1CE00467K","","","0.71073","MoKα","","0.0624","0.0452","","","0.1146","0.1295","","","","","","1.054","","","","has coordinates","268688","2021-09-06","10:32:24",""
"7242760","7.8729","0.0008","3.9195","0.0005","15.7126","0.0018","90","","102.604","0.01","90","","473.17","0.1","178","","178","0.02","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Anthraquinone","9,10-Anthracenedione","","- C14 H8 O2 -","- C14 H8 O2 -","- C28 H16 O4 -","2","0.5","","Rather, Sumair A.; Saha, Binoy K.","Understanding the elastic bending mechanism in a 9,10-anthraquinone crystal through thermal expansion study","CrystEngComm","2021","23","34","5768","5773","10.1039/D1CE00467K","","","0.71073","MoKα","","0.0773","0.0512","","","0.123","0.1443","","","","","","1.008","","","","has coordinates","268688","2021-09-06","10:32:28",""
"7242761","7.8702","0.0009","3.9302","0.0006","15.732","0.002","90","","102.573","0.012","90","","474.94","0.11","193","","193","0.02","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Anthraquinone","9,10-Anthracenedione","","- C14 H8 O2 -","- C14 H8 O2 -","- C28 H16 O4 -","2","0.5","","Rather, Sumair A.; Saha, Binoy K.","Understanding the elastic bending mechanism in a 9,10-anthraquinone crystal through thermal expansion study","CrystEngComm","2021","23","34","5768","5773","10.1039/D1CE00467K","","","0.71073","MoKα","","0.0841","0.052","","","0.1191","0.1411","","","","","","0.995","","","","has coordinates","268688","2021-09-06","10:32:31",""
"7242762","7.8864","0.0007","3.9488","0.0005","15.774","0.002","90","","102.624","0.01","90","","479.36","0.1","238","","238","0.02","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Anthraquinone","9,10-Anthracenedione","","- C14 H8 O2 -","- C14 H8 O2 -","- C28 H16 O4 -","2","0.5","","Rather, Sumair A.; Saha, Binoy K.","Understanding the elastic bending mechanism in a 9,10-anthraquinone crystal through thermal expansion study","CrystEngComm","2021","23","34","5768","5773","10.1039/D1CE00467K","","","0.71073","MoKα","","0.08","0.0489","","","0.1093","0.1304","","","","","","1.036","","","","has coordinates","268688","2021-09-06","10:32:31",""
"7242763","7.8846","0.0008","3.9372","0.0005","15.754","0.002","90","","102.594","0.012","90","","477.29","0.1","208","","208","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Anthraquinone","9,10-Anthracenedione","","- C14 H8 O2 -","- C14 H8 O2 -","- C28 H16 O4 -","2","0.5","","Rather, Sumair A.; Saha, Binoy K.","Understanding the elastic bending mechanism in a 9,10-anthraquinone crystal through thermal expansion study","CrystEngComm","2021","23","34","5768","5773","10.1039/D1CE00467K","","","0.71073","MoKα","","0.1259","0.0554","","","0.0911","0.1103","","","","","","0.89","","","","has coordinates","268688","2021-09-06","10:32:31",""
"7242764","7.8876","0.0007","3.9434","0.0004","15.7578","0.0019","90","","102.624","0.011","90","","478.28","0.09","223","","223","0.02","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Anthraquinone","9,10-Anthracenedione","","- C14 H8 O2 -","- C14 H8 O2 -","- C28 H16 O4 -","2","0.5","","Rather, Sumair A.; Saha, Binoy K.","Understanding the elastic bending mechanism in a 9,10-anthraquinone crystal through thermal expansion study","CrystEngComm","2021","23","34","5768","5773","10.1039/D1CE00467K","","","0.71073","MoKα","","0.0904","0.0533","","","0.1138","0.1367","","","","","","1.01","","","","has coordinates","268688","2021-09-06","10:32:31",""
"7242765","7.8728","0.0007","3.9608","0.0005","15.7845","0.0019","90","","102.664","0.009","90","","480.23","0.1","268","","268","0.02","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Anthraquinone","9,10-Anthracenedione","","- C14 H8 O2 -","- C14 H8 O2 -","- C28 H16 O4 -","2","0.5","","Rather, Sumair A.; Saha, Binoy K.","Understanding the elastic bending mechanism in a 9,10-anthraquinone crystal through thermal expansion study","CrystEngComm","2021","23","34","5768","5773","10.1039/D1CE00467K","","","0.71073","MoKα","","0.1077","0.0547","","","0.1249","0.1601","","","","","","1.003","","","","has coordinates","268688","2021-09-06","10:32:31",""
"7242766","7.8662","0.0004","3.966","0.0003","15.7823","0.0011","90","","102.696","0.006","90","","480.33","0.06","298","","298","0.02","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Anthraquinone","9,10-Anthracenedione","","- C14 H8 O2 -","- C14 H8 O2 -","- C28 H16 O4 -","2","0.5","","Rather, Sumair A.; Saha, Binoy K.","Understanding the elastic bending mechanism in a 9,10-anthraquinone crystal through thermal expansion study","CrystEngComm","2021","23","34","5768","5773","10.1039/D1CE00467K","","","0.71073","MoKα","","0.0724","0.0467","","","0.1153","0.1374","","","","","","1.046","","","","has coordinates","268688","2021-09-06","10:32:31",""
"7242767","7.8758","0.0008","3.9534","0.0005","15.7573","0.0016","90","","102.653","0.01","90","","478.71","0.09","253","","253","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","AnthraQuinone","9,10-Anthracenedione","","- C14 H8 O2 -","- C14 H8 O2 -","- C28 H16 O4 -","2","0.5","","Rather, Sumair A.; Saha, Binoy K.","Understanding the elastic bending mechanism in a 9,10-anthraquinone crystal through thermal expansion study","CrystEngComm","2021","23","34","5768","5773","10.1039/D1CE00467K","","","0.71073","MoKα","","0.0956","0.0551","","","0.123","0.1554","","","","","","1.022","","","","has coordinates","268688","2021-09-06","10:32:31",""
"7242768","7.8868","0.001","3.9718","0.0005","15.822","0.002","90","","102.719","0.013","90","","483.46","0.11","283","","283","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Anthraquinone","9,10-Anthracenedione","","- C14 H8 O2 -","- C14 H8 O2 -","- C28 H16 O4 -","2","0.5","","Rather, Sumair A.; Saha, Binoy K.","Understanding the elastic bending mechanism in a 9,10-anthraquinone crystal through thermal expansion study","CrystEngComm","2021","23","34","5768","5773","10.1039/D1CE00467K","","","0.71073","MoKα","","0.12","0.0572","","","0.1209","0.1616","","","","","","1.005","","","","has coordinates","268688","2021-09-06","10:32:31",""
"7242769","19.7195","0.0004","8.9435","0.0002","37.5526","0.001","90","","90","","90","","6622.8","0.3","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H54 O4 Rh2 S2 -","- C32 H54 O4 Rh2 S2 -","- C256 H432 O32 Rh16 S16 -","8","1","","Nakai, Hidetaka; Kajiwara, Yuu; Miyata, Seiya","Molecular motion in organometallic crystals: photoinduced 2π/5 rotation of n-hexyltetramethylcyclopentadienyl ligand","CrystEngComm","2021","23","21","3790","3793","10.1039/D1CE00093D","","","0.71075","MoKα","","0.0608","0.0473","","","0.0888","0.0922","","","","","","1.154","","","","has coordinates","265995","2021-06-05","18:21:12",""
"7242770","19.7647","0.0007","8.9121","0.0004","38.0935","0.0015","90","","90","","90","","6710","0.5","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2_Hex","","- C32 H54 O4 Rh2 S2 -","- C32 H54 O4 Rh2 S2 -","- C256 H432 O32 Rh16 S16 -","8","1","","Nakai, Hidetaka; Kajiwara, Yuu; Miyata, Seiya","Molecular motion in organometallic crystals: photoinduced 2π/5 rotation of n-hexyltetramethylcyclopentadienyl ligand","CrystEngComm","2021","23","21","3790","3793","10.1039/D1CE00093D","","","0.71075","MoKα","","0.1142","0.0906","","","0.1879","0.1956","","","","","","1.285","","","","has coordinates","265995","2021-06-05","18:21:12",""
"7242771","3.8711","0.0003","11.149","0.001","32.557","0.003","90","","90","","90","","1405.1","0.2","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","E-ArF2","","- C17 H12 F2 N2 O -","- C17 H12 F2 N2 O -","- C68 H48 F8 N8 O4 -","4","1","","Giri, Prasenjit; Mazumder, Abhrojyoti; Dey, Dibyendu; Garani, Souvik; Raveendran, Anju; Panda, Manas K.","Light-fueled rapid macroscopic motion of a green fluorescent organic crystal","CrystEngComm","2021","23","34","5876","5881","10.1039/D1CE00460C","","","0.71073","MoKα","","0.0487","0.0396","","","0.1265","0.141","","","","","","1.196","","","","has coordinates","268693","2021-09-06","10:33:19",""
"7242772","8.34","0.002","25.809","0.007","10.622","0.003","90","","94.689","0.007","90","","2278.7","1","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H26 N4 O6 -","- C22 H26 N4 O6 -","- C88 H104 N16 O24 -","4","2","","Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V.","Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state","CrystEngComm","2021","23","24","4312","4319","10.1039/D1CE00434D","","","0.71073","MoKα","","0.1506","0.0765","","","0.1482","0.1784","","","","","","1.022","","","","has coordinates","267105","2021-07-05","17:06:25",""
"7242773","9.2955","0.001","9.6189","0.001","11.1769","0.0012","68.975","0.002","70.514","0.002","82.886","0.002","879.38","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H20 N4 O4 -","- C19 H20 N4 O4 -","- C38 H40 N8 O8 -","2","1","","Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V.","Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state","CrystEngComm","2021","23","24","4312","4319","10.1039/D1CE00434D","","","0.71073","MoKα","","0.0489","0.041","","","0.1033","0.109","","","","","","1.037","","","","has coordinates","267105","2021-07-05","17:06:25",""
"7242774","9.4667","0.001","9.5371","0.001","10.9139","0.0011","71.045","0.002","72.014","0.002","82.789","0.002","886.04","0.16","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H22 N4 O3 -","- C19 H22 N4 O3 -","- C38 H44 N8 O6 -","2","1","","Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V.","Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state","CrystEngComm","2021","23","24","4312","4319","10.1039/D1CE00434D","","","0.71073","MoKα","","0.0588","0.0414","","","0.0963","0.1085","","","","","","1.025","","","","has coordinates","267105","2021-07-05","17:06:25",""
"7242775","10.8013","0.0008","14.882","0.0011","16.5499","0.0012","100.215","0.0016","108.537","0.0016","109.034","0.0017","2264.1","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H30 N4 O5 -","- C24 H30 N4 O5 -","- C96 H120 N16 O20 -","4","2","","Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V.","Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state","CrystEngComm","2021","23","24","4312","4319","10.1039/D1CE00434D","","","0.71073","MoKα","","0.09","0.05","","","0.1057","0.1257","","","","","","1.02","","","","has coordinates,has disorder","267105","2021-07-05","17:06:25",""
"7242776","10.866","0.0005","12.6977","0.0006","15.5356","0.0007","90","","90","","90","","2143.5","0.17","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 N4 O5 -","- C22 H26 N4 O5 -","- C88 H104 N16 O20 -","4","1","","Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V.","Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state","CrystEngComm","2021","23","24","4312","4319","10.1039/D1CE00434D","","","0.71073","MoKα","","0.0405","0.0353","","","0.0936","0.0989","","","","","","1.014","","","","has coordinates","267105","2021-07-05","17:06:25",""
"7242777","15.1775","0.0015","11.3912","0.0011","9.0508","0.0009","90","","99.279","0.002","90","","1544.3","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N4 O2 -","- C18 H18 N4 O2 -","- C72 H72 N16 O8 -","4","1","","Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V.","Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state","CrystEngComm","2021","23","24","4312","4319","10.1039/D1CE00434D","","","0.71073","MoKα","","0.069","0.0478","","","0.1104","0.1224","","","","","","1.019","","","","has coordinates","267105","2021-07-05","17:06:25",""
"7242778","8.985","0.0004","23.1322","0.0011","9.9624","0.0005","90","","109.782","0.001","90","","1948.42","0.16","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 N4 O4 -","- C21 H24 N4 O4 -","- C84 H96 N16 O16 -","4","1","","Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V.","Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state","CrystEngComm","2021","23","24","4312","4319","10.1039/D1CE00434D","","","0.71073","MoKα","","0.0698","0.0483","","","0.1026","0.1153","","","","","","1.028","","","","has coordinates","267105","2021-07-05","17:06:25",""
"7242779","12.3392","0.0012","8.4864","0.0008","34.065","0.003","90","","99.814","0.002","90","","3514.9","0.6","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N4 O2 -","- C20 H22 N4 O2 -","- C160 H176 N32 O16 -","8","2","","Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V.","Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state","CrystEngComm","2021","23","24","4312","4319","10.1039/D1CE00434D","","","0.71073","MoKα","","0.103","0.0586","","","0.1199","0.1412","","","","","","1.009","","","","has coordinates","267105","2021-07-05","17:06:25",""
"7242780","8.2337","0.0009","10.7773","0.0012","12.997","0.0014","98.025","0.003","97.959","0.003","91.457","0.003","1129.8","0.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H30 N4 O4 -","- C24 H30 N4 O4 -","- C48 H60 N8 O8 -","2","1","","Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V.","Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state","CrystEngComm","2021","23","24","4312","4319","10.1039/D1CE00434D","","","0.71073","MoKα","","0.0839","0.0532","","","0.1141","0.1283","","","","","","1.03","","","","has coordinates","267105","2021-07-05","17:06:25",""
"7242781","12.7245","0.0007","9.4309","0.0005","17.0038","0.0009","90","","100.219","0.001","90","","2008.15","0.19","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H26 N4 O3 -","- C21 H26 N4 O3 -","- C84 H104 N16 O12 -","4","1","","Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V.","Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state","CrystEngComm","2021","23","24","4312","4319","10.1039/D1CE00434D","","","0.71073","MoKα","","0.075","0.0459","","","0.1053","0.1213","","","","","","1.014","","","","has coordinates","267105","2021-07-05","17:06:25",""
"7242782","13.2527","0.0011","13.5955","0.0011","14.5032","0.0012","112.5","0.0017","98.1336","0.0017","104.91","0.0018","2247.1","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H27 N5 O2 -","- C25 H27 N5 O2 -","- C100 H108 N20 O8 -","4","2","","Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V.","Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state","CrystEngComm","2021","23","24","4312","4319","10.1039/D1CE00434D","","","0.71073","MoKα","","0.0831","0.053","","","0.1278","0.1466","","","","","","1.025","","","","has coordinates","267105","2021-07-05","17:06:25",""
"7242783","8.0523","0.001","10.7345","0.0013","13.0559","0.0016","97.828","0.003","97.868","0.003","91.711","0.003","1106.1","0.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H28 N4 O3 -","- C23 H28 N4 O3 -","- C46 H56 N8 O6 -","2","1","","Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V.","Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state","CrystEngComm","2021","23","24","4312","4319","10.1039/D1CE00434D","","","0.71073","MoKα","","0.1072","0.0584","","","0.1163","0.1403","","","","","","1.009","","","","has coordinates,has disorder","267105","2021-07-05","17:06:25",""
"7242784","10.5144","0.0006","13.2689","0.0007","15.6124","0.0008","90","","91.5967","0.0012","90","","2177.3","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 N4 O3 -","- C24 H28 N4 O3 -","- C96 H112 N16 O12 -","4","1","","Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V.","Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state","CrystEngComm","2021","23","24","4312","4319","10.1039/D1CE00434D","","","0.71073","MoKα","","0.0754","0.0473","","","0.1031","0.1177","","","","","","1.009","","","","has coordinates","267105","2021-07-05","17:06:25",""
"7242785","12.5231","0.0009","12.9844","0.001","13.4742","0.001","103.876","0.0016","96.9424","0.0017","97.186","0.0017","2084.3","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H28 N4 O3 -","- C22 H28 N4 O3 -","- C88 H112 N16 O12 -","4","2","","Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V.","Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state","CrystEngComm","2021","23","24","4312","4319","10.1039/D1CE00434D","","","0.71073","MoKα","","0.0905","0.0572","","","0.1335","0.151","","","","","","1.014","","","","has coordinates,has disorder","267105","2021-07-05","17:06:25",""
"7242786","12.6677","0.0014","9.9394","0.0011","16.7019","0.0018","90","","101.334","0.002","90","","2061.9","0.4","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 N5 O2 -","- C22 H25 N5 O2 -","- C88 H100 N20 O8 -","4","1","","Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V.","Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state","CrystEngComm","2021","23","24","4312","4319","10.1039/D1CE00434D","","","0.71073","MoKα","","0.0756","0.0474","","","0.1106","0.1266","","","","","","1.016","","","","has coordinates","267105","2021-07-05","17:06:25",""
"7242787","14.6755","0.0014","17.8903","0.0016","16.1564","0.0015","90","","91.586","0.002","90","","4240.2","0.7","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 N4 O4 -","- C22 H26 N4 O4 -","- C176 H208 N32 O32 -","8","2","","Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V.","Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state","CrystEngComm","2021","23","24","4312","4319","10.1039/D1CE00434D","","","0.71073","MoKα","","0.1134","0.0553","","","0.1041","0.1302","","","","","","1.01","","","","has coordinates","267105","2021-07-05","17:06:25",""
"7242788","12.8477","0.0015","10.4635","0.0011","26.812","0.003","90","","93.96","0.002","90","","3595.8","0.7","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H36 N8 O10 -","- C36 H36 N8 O10 -","- C144 H144 N32 O40 -","4","0.5","","Liu, Jian-Jun; Xia, Shu-Biao; Liu, Teng; Liu, Jia-Ming; Cheng, Fei-Xiang","A two-component molecular hybrid with enhanced emission characteristics and mechanoresponsive luminescence properties","CrystEngComm","2021","23","24","4320","4326","10.1039/D1CE00465D","","","0.71073","MoKα","","0.0933","0.0576","","","0.1389","0.1618","","","","","","1.022","","","","has coordinates","267107","2021-07-05","17:06:44",""
"7242789","6.428","0.005","10.302","0.008","25.248","0.019","90","","89.053","0.015","90","","1672","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H30 N6 O8 -","- C40 H30 N6 O8 -","- C80 H60 N12 O16 -","2","0.5","","Liu, Jian-Jun; Xia, Shu-Biao; Liu, Teng; Liu, Jia-Ming; Cheng, Fei-Xiang","A two-component molecular hybrid with enhanced emission characteristics and mechanoresponsive luminescence properties","CrystEngComm","2021","23","24","4320","4326","10.1039/D1CE00465D","","","0.71073","MoKα","","0.1253","0.0836","","","0.2318","0.2924","","","","","","1.078","","","","has coordinates","267107","2021-07-05","17:06:44",""
"7242797","24.8541","0.0011","6.7596","0.0003","15.6816","0.0006","90","","104.869","0.004","90","","2546.35","0.19","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2ECN","","- C2.75 H1.83 N0.17 O0.17 -","- C2.75 H1.83333 N0.166667 O0.166667 -","- C132 H88 N8 O8 -","48","12","","Kondo, Mizuho; Morita, Yuya; Nishida, Jun-ichi; Kawase, Takeshi; Kawatsuki, Nobuhiro","Mechano-induced photoluminescence colour change in an alkyltolane-terminated cyanostilbene","CrystEngComm","2021","23","34","5869","5875","10.1039/D1CE00456E","","x-ray","0.71073","MoKα","","0.1206","0.0617","","","0.1564","0.1927","","","","","","1.013","","","","has coordinates","268689","2021-09-06","10:32:38",""
"7242798","18.892","0.004","6.2547","0.0015","24.173","0.006","90","","104.589","0.004","90","","2764.3","1.1","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Atrazine fumaric acid cocrystal","","- C10 H16.22 Cl N5 O2.11 -","- C10 H16.22 Cl N5 O2.11 -","- C80 H129.76 Cl8 N40 O16.88 -","8","1","","da Silva, Amandha Kaiser; Diniz, Luan F.; Tenorio, Juan C.; Nazário, Carlos E. D.; Ribeiro, Caue; Carvalho Jr, Paulo S.","Driving a sustainable application of s-triazine ametryn and atrazine herbicides through multicomponent crystals with improved solubility","CrystEngComm","2021","23","24","4252","4263","10.1039/D1CE00356A","","x-ray","0.71073","MoKα","","0.0971","0.0863","","","0.2048","0.2128","","","","","","1.168","","","","has coordinates","267102","2021-07-05","17:05:24",""
"7242799","9.1659","0.0007","9.5067","0.0008","9.6825","0.0008","77.541","0.007","72.346","0.007","67.479","0.007","737.89","0.11","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H18 N6 O3 S -","- C9 H18 N6 O3 S -","- C18 H36 N12 O6 S2 -","2","1","","da Silva, Amandha Kaiser; Diniz, Luan F.; Tenorio, Juan C.; Nazário, Carlos E. D.; Ribeiro, Caue; Carvalho Jr, Paulo S.","Driving a sustainable application of s-triazine ametryn and atrazine herbicides through multicomponent crystals with improved solubility","CrystEngComm","2021","23","24","4252","4263","10.1039/D1CE00356A","","","0.71073","MoKα","","0.0861","0.0657","","","0.1805","0.195","","","","","","1.046","","","","has coordinates,has disorder","267102","2021-07-05","17:05:24",""
"7242800","8.2238","0.0003","10.1689","0.0003","19.8066","0.0005","90","","99.017","0.003","90","","1635.9","0.09","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H18 F3 N5 O2 S -","- C11 H18 F3 N5 O2 S -","- C44 H72 F12 N20 O8 S4 -","4","1","","da Silva, Amandha Kaiser; Diniz, Luan F.; Tenorio, Juan C.; Nazário, Carlos E. D.; Ribeiro, Caue; Carvalho Jr, Paulo S.","Driving a sustainable application of s-triazine ametryn and atrazine herbicides through multicomponent crystals with improved solubility","CrystEngComm","2021","23","24","4252","4263","10.1039/D1CE00356A","","","0.71073","MoKα","","0.0948","0.0711","","","0.2156","0.2365","","","","","","1.041","","","","has coordinates","267102","2021-07-05","17:05:24",""
"7242801","18.922","0.013","6.297","0.004","24.311","0.016","90","","104.748","0.006","90","","2801","3","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Atrazine Fumaric acid cocrystal (dehydrate)","","- C10 H16 Cl N5 O2 -","- C10 H16 Cl N5 O2 -","- C80 H128 Cl8 N40 O16 -","8","1","","da Silva, Amandha Kaiser; Diniz, Luan F.; Tenorio, Juan C.; Nazário, Carlos E. D.; Ribeiro, Caue; Carvalho Jr, Paulo S.","Driving a sustainable application of s-triazine ametryn and atrazine herbicides through multicomponent crystals with improved solubility","CrystEngComm","2021","23","24","4252","4263","10.1039/D1CE00356A","","x-ray","0.71073","MoKα","","0.0975","0.0879","","","0.205","0.2112","","","","","","1.229","","","","has coordinates","267102","2021-07-05","17:05:24",""
"7242802","13.9445","0.0012","19.9094","0.0016","10.1085","0.0009","90","","90","","90","","2806.4","0.4","298","2","298.15","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C44 H66 Mn N14 O22 P2 -","- C44 H50 Mn N14 O22 P2 -","- C88 H100 Mn2 N28 O44 P4 -","2","0.5","","Iqbal, Muhammad Javed; Li, Zhongkui; Khan, Maroof Ahmad; Zhu, Yanhong; Hussain, Wajid; Su, Hao; Qiu, Qi-Ming; Shoukat, Rizwan; Li, Hui","Studies on the structure and chirality of A-motif in adenosine monophosphate nucleotide metal coordination complexes","CrystEngComm","2021","23","23","4175","4180","10.1039/D1CE00276G","","","0.71073","MoKα","","0.0968","0.0593","","","0.1472","0.1737","","","","","","1.025","","","","has coordinates,has disorder","267133","2021-07-05","17:13:43",""
"7242803","6.8541","0.0005","10.2632","0.0007","14.0271","0.001","111.04","0.002","93.282","0.002","92.104","0.002","917.7","0.11","296.15","","296.15","","","","","","","","","6","P 1","P 1","1","","amp-cd-bpe","","- C22 H42 Cd N7 O17 P -","- C22 H32 Cd N7 O17 P -","- C22 H32 Cd N7 O17 P -","1","1","","Iqbal, Muhammad Javed; Li, Zhongkui; Khan, Maroof Ahmad; Zhu, Yanhong; Hussain, Wajid; Su, Hao; Qiu, Qi-Ming; Shoukat, Rizwan; Li, Hui","Studies on the structure and chirality of A-motif in adenosine monophosphate nucleotide metal coordination complexes","CrystEngComm","2021","23","23","4175","4180","10.1039/D1CE00276G","","x-ray","0.71073","MoKα","","0.0244","0.0243","","","0.066","0.066","","","","","","1.085","","","","has coordinates","267133","2021-07-05","17:13:45",""
"7242804","13.9986","0.0005","19.9756","0.0007","10.1006","0.0004","90","","90","","90","","2824.44","0.18","296.15","","296.15","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","damp-cd-bpe-MI-343","","- C45 H62 Cd N14 O19 P2 -","- C45 H50 Cd N14 O19 P2 -","- C90 H100 Cd2 N28 O38 P4 -","2","0.5","","Iqbal, Muhammad Javed; Li, Zhongkui; Khan, Maroof Ahmad; Zhu, Yanhong; Hussain, Wajid; Su, Hao; Qiu, Qi-Ming; Shoukat, Rizwan; Li, Hui","Studies on the structure and chirality of A-motif in adenosine monophosphate nucleotide metal coordination complexes","CrystEngComm","2021","23","23","4175","4180","10.1039/D1CE00276G","","x-ray","0.71073","MoKα","","0.0626","0.0459","","","0.1151","0.1241","","","","","","1.027","","","","has coordinates,has disorder","267133","2021-07-05","17:13:45",""
"7242810","9.5008","0.0006","10.3315","0.0006","11.4636","0.0007","86.225","0.001","76.084","0.001","67.841","0.001","1011.15","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H38 Co N4 O12 -","- C42 H38 Co N4 O12 -","- C42 H38 Co N4 O12 -","1","0.5","","Lu, Xue; Zhao, Ying; Wang, Xiu-Li; Liu, Guo-Cheng; Xu, Na; Lin, Hong-Yan; Wang, Xiang","Six CoII coordination polymers exhibiting UV-light-driven photocatalysis for the degradation of organic dyes","CrystEngComm","2021","23","21","3828","3837","10.1039/D1CE00345C","","","0.71069","MoKα","","0.0637","0.0443","","","0.1162","0.126","","","","","","1.006","","","","has coordinates","265992","2021-06-05","18:20:23",""
"7242811","8.618","0.0011","9.1037","0.0012","13.5328","0.0017","79.294","0.002","72.69","0.002","74.067","0.002","968.4","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 Co N2 O6 -","- C20 H22 Co N2 O6 -","- C40 H44 Co2 N4 O12 -","2","1","","Lu, Xue; Zhao, Ying; Wang, Xiu-Li; Liu, Guo-Cheng; Xu, Na; Lin, Hong-Yan; Wang, Xiang","Six CoII coordination polymers exhibiting UV-light-driven photocatalysis for the degradation of organic dyes","CrystEngComm","2021","23","21","3828","3837","10.1039/D1CE00345C","","","0.71069","MoKα","","0.0442","0.0346","","","0.0904","0.0968","","","","","","1.01","","","","has coordinates","265992","2021-06-05","18:20:24",""
"7242812","28.979","0.013","10.115","0.005","17.028","0.008","90","","95.201","0.011","90","","4971","4","296","2","293.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H23 Co N4 O7 -","- C29 H23 Co N4 O7 -","- C232 H184 Co8 N32 O56 -","8","1","","Lu, Xue; Zhao, Ying; Wang, Xiu-Li; Liu, Guo-Cheng; Xu, Na; Lin, Hong-Yan; Wang, Xiang","Six CoII coordination polymers exhibiting UV-light-driven photocatalysis for the degradation of organic dyes","CrystEngComm","2021","23","21","3828","3837","10.1039/D1CE00345C","","","0.71069","MoKα","","0.1613","0.0925","","","0.2138","0.2539","","","","","","1.035","","","","has coordinates,has disorder","265992","2021-06-05","18:20:24",""
"7242813","15.6969","0.0008","7.7903","0.0004","31.0089","0.0017","90","","94.603","0.001","90","","3779.6","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H34 Co2 N6 O13 -","- C40 H34 Co2 N6 O13 -","- C160 H136 Co8 N24 O52 -","4","1","","Lu, Xue; Zhao, Ying; Wang, Xiu-Li; Liu, Guo-Cheng; Xu, Na; Lin, Hong-Yan; Wang, Xiang","Six CoII coordination polymers exhibiting UV-light-driven photocatalysis for the degradation of organic dyes","CrystEngComm","2021","23","21","3828","3837","10.1039/D1CE00345C","","","0.71069","MoKα","","0.1095","0.0545","","","0.1526","0.1855","","","","","","1.015","","","","has coordinates","265992","2021-06-05","18:20:24",""
"7242814","8.641","0.001","14.144","0.0017","17.121","0.002","82.368","0.003","76.967","0.003","73.737","0.003","1951.6","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H30 Co N4 O8 -","- C36 H30 Co N4 O8 -","- C72 H60 Co2 N8 O16 -","2","1","","Lu, Xue; Zhao, Ying; Wang, Xiu-Li; Liu, Guo-Cheng; Xu, Na; Lin, Hong-Yan; Wang, Xiang","Six CoII coordination polymers exhibiting UV-light-driven photocatalysis for the degradation of organic dyes","CrystEngComm","2021","23","21","3828","3837","10.1039/D1CE00345C","","","0.71069","MoKα","","0.0943","0.0574","","","0.146","0.1667","","","","","","0.967","","","","has coordinates,has disorder","265992","2021-06-05","18:20:24",""
"7242815","12.9385","0.0019","15.954","0.002","16.193","0.002","113.997","0.003","101.122","0.003","92.4","0.003","2969.2","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H52 Co2 N10 O19 -","- C64 H51 Co2 N10 O19 -","- C128 H102 Co4 N20 O38 -","2","1","","Lu, Xue; Zhao, Ying; Wang, Xiu-Li; Liu, Guo-Cheng; Xu, Na; Lin, Hong-Yan; Wang, Xiang","Six CoII coordination polymers exhibiting UV-light-driven photocatalysis for the degradation of organic dyes","CrystEngComm","2021","23","21","3828","3837","10.1039/D1CE00345C","","","0.71069","MoKα","","0.1457","0.0596","","","0.1155","0.1458","","","","","","0.997","","","","has coordinates","265992","2021-06-05","18:20:24",""
"7242817","10.6221","0.001","13.075","0.003","13.3414","0.0014","90","","90","","90","","1852.9","0.5","159.99","0.1","159.99","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","amoxicillin sodium","","","- C16 H18 N3 Na O5 S -","- C16 H18 N3 Na O5 S -","- C64 H72 N12 Na4 O20 S4 -","4","1","","Cui, Pingping; Yin, Qiuxiang; Zhang, Shihao; Yang, Wenchao; Jia, Lihong; Dai, Jiayu; Zhou, Ling; Wang, Zhao","Insight into amoxicillin sodium heterosolvates and non-solvated form: crystal structures, phase transformation behaviors, and desolvation mechanism","CrystEngComm","2021","23","22","3995","4004","10.1039/D1CE00435B","","x-ray","1.54184","CuKα","","0.0796","0.0556","","","0.124","0.137","","","","","","1.022","","","","has coordinates,has disorder","267109","2021-07-05","17:07:10",""
"7242818","9.9361","0.0007","15.3223","0.001","15.6894","0.0009","90","","90","","90","","2388.6","0.3","113.15","","113.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","amoxicillin sodium solvate","","","- C20 H28 N3 Na O8 S -","- C20 H28 N3 Na O8 S -","- C80 H112 N12 Na4 O32 S4 -","4","1","","Cui, Pingping; Yin, Qiuxiang; Zhang, Shihao; Yang, Wenchao; Jia, Lihong; Dai, Jiayu; Zhou, Ling; Wang, Zhao","Insight into amoxicillin sodium heterosolvates and non-solvated form: crystal structures, phase transformation behaviors, and desolvation mechanism","CrystEngComm","2021","23","22","3995","4004","10.1039/D1CE00435B","","x-ray","0.71073","MoKα","","0.0898","0.0659","","","0.1329","0.1516","","","","","","1.056","","","","has coordinates","267109","2021-07-05","17:07:10",""
"7242828","6.899","0.0006","9.0065","0.0008","10.5354","0.0009","67.043","0.002","74.813","0.0019","69.918","0.002","559.89","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 F4 I2 N2 -","- C24 H16 F4 I2 N2 -","- C24 H16 F4 I2 N2 -","1","0.5","","Vulpe, Elena; Grosjean, Sylvain; Hassan, Zahid; Bulach, Véronique; Hosseini, Mir Wais; Bräse, Stefan","Halogen-bonded one-dimensional chains of functionalized ditopic bipyridines co-crystallized with mono-, di-, and triiodofluorobenzenes","CrystEngComm","2021","23","24","4247","4251","10.1039/D1CE00494H","","","0.71073","MoKα","","0.0697","0.0668","","","0.156","0.16","","","","","","1.031","","","","has coordinates","267100","2021-07-05","17:04:19",""
"7242829","7.6854","0.0001","9.3757","0.0002","14.3001","0.0003","78.9336","0.0008","76.5682","0.0008","76.3666","0.0007","963.67","0.03","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H28 F10 I2 N2 -","- C44 H28 F10 I2 N2 -","- C44 H28 F10 I2 N2 -","1","0.5","","Vulpe, Elena; Grosjean, Sylvain; Hassan, Zahid; Bulach, Véronique; Hosseini, Mir Wais; Bräse, Stefan","Halogen-bonded one-dimensional chains of functionalized ditopic bipyridines co-crystallized with mono-, di-, and triiodofluorobenzenes","CrystEngComm","2021","23","24","4247","4251","10.1039/D1CE00494H","","","0.71073","MoKα","","0.0276","0.0243","","","0.0534","0.0549","","","","","","1.003","","","","has coordinates","267100","2021-07-05","17:04:19",""
"7242830","4.0202","0.0001","27.092","0.0011","13.0226","0.0005","90","","93.8344","0.001","90","","1415.18","0.09","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H16 F10 I2 N2 -","- C30 H16 F10 I2 N2 -","- C60 H32 F20 I4 N4 -","2","0.5","","Vulpe, Elena; Grosjean, Sylvain; Hassan, Zahid; Bulach, Véronique; Hosseini, Mir Wais; Bräse, Stefan","Halogen-bonded one-dimensional chains of functionalized ditopic bipyridines co-crystallized with mono-, di-, and triiodofluorobenzenes","CrystEngComm","2021","23","24","4247","4251","10.1039/D1CE00494H","","","0.71073","MoKα","","0.0357","0.0327","","","0.0589","0.0598","","","","","","1.252","","","","has coordinates","267100","2021-07-05","17:04:19",""
"7242831","7.42","0.0004","17.8302","0.001","35.8919","0.0019","90","","90","","90","","4748.5","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H16 F3 I3 N2 -","- C24 H16 F3 I3 N2 -","- C192 H128 F24 I24 N16 -","8","1","","Vulpe, Elena; Grosjean, Sylvain; Hassan, Zahid; Bulach, Véronique; Hosseini, Mir Wais; Bräse, Stefan","Halogen-bonded one-dimensional chains of functionalized ditopic bipyridines co-crystallized with mono-, di-, and triiodofluorobenzenes","CrystEngComm","2021","23","24","4247","4251","10.1039/D1CE00494H","","","0.71073","MoKα","","0.0507","0.0358","","","0.0712","0.0768","","","","","","1.009","","","","has coordinates","267100","2021-07-05","17:04:19",""
"7242832","5.511","0.0003","18.5899","0.0011","23.7423","0.0013","90","","90","","90","","2432.4","0.2","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H16 F3 I3 N2 -","- C24 H16 F3 I3 N2 -","- C96 H64 F12 I12 N8 -","4","0.5","","Vulpe, Elena; Grosjean, Sylvain; Hassan, Zahid; Bulach, Véronique; Hosseini, Mir Wais; Bräse, Stefan","Halogen-bonded one-dimensional chains of functionalized ditopic bipyridines co-crystallized with mono-, di-, and triiodofluorobenzenes","CrystEngComm","2021","23","24","4247","4251","10.1039/D1CE00494H","","","0.71073","MoKα","","0.0485","0.0317","","","0.0626","0.0706","","","","","","1.01","","","","has coordinates","267100","2021-07-05","17:04:19",""
"7242833","7.782","0.0003","33.4952","0.0014","9.1815","0.0004","90","","114.99","0.0011","90","","2169.2","0.16","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H28 F6 I6 N2 -","- C44 H28 F6 I6 N2 -","- C88 H56 F12 I12 N4 -","2","0.5","","Vulpe, Elena; Grosjean, Sylvain; Hassan, Zahid; Bulach, Véronique; Hosseini, Mir Wais; Bräse, Stefan","Halogen-bonded one-dimensional chains of functionalized ditopic bipyridines co-crystallized with mono-, di-, and triiodofluorobenzenes","CrystEngComm","2021","23","24","4247","4251","10.1039/D1CE00494H","","","0.71073","MoKα","","0.0432","0.0353","","","0.0825","0.0863","","","","","","1.048","","","","has coordinates","267100","2021-07-05","17:04:19",""
"7242834","12.3957","0.0005","17.8774","0.0006","13.0708","0.0005","90","","115.915","0.001","90","","2605.26","0.17","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H16 F4 I2 N4 -","- C28 H16 F4 I2 N4 -","- C112 H64 F16 I8 N16 -","4","1","","Vulpe, Elena; Grosjean, Sylvain; Hassan, Zahid; Bulach, Véronique; Hosseini, Mir Wais; Bräse, Stefan","Halogen-bonded one-dimensional chains of functionalized ditopic bipyridines co-crystallized with mono-, di-, and triiodofluorobenzenes","CrystEngComm","2021","23","24","4247","4251","10.1039/D1CE00494H","","","0.71073","MoKα","","0.043","0.0335","","","0.0843","0.0908","","","","","","1.023","","","","has coordinates","267100","2021-07-05","17:04:19",""
"7242835","10.6221","0.001","13.075","0.003","13.3414","0.0014","90","","90","","90","","1852.9","0.5","159.99","0.1","159.99","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","amoxicillin sodium","","","- C16 H18 N3 Na O5 S -","- C16 H18 N3 Na O5 S -","- C64 H72 N12 Na4 O20 S4 -","4","1","","Peng, Shuang; Qi, Yan-Jie; Li, Xin-Hao; Sun, Cai; Li, Ling-Yun; Li, Xin-Xiong; Zheng, Shou-Tian; Zhang, Qichun","Two isomeric zeolite-like metal‒organic frameworks with mechanically responsive luminescence emission and gas adsorption properties","CrystEngComm","2021","23","34","5753","5757","10.1039/D1CE00464F","","x-ray","1.54184","CuKα","","0.0796","0.0556","","","0.124","0.137","","","","","","1.022","","","","has coordinates,has disorder","268690","2021-09-06","10:32:56",""
"7242836","9.9361","0.0007","15.3223","0.001","15.6894","0.0009","90","","90","","90","","2388.6","0.3","113.15","","113.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","amoxicillin sodium solvate","","","- C20 H28 N3 Na O8 S -","- C20 H28 N3 Na O8 S -","- C80 H112 N12 Na4 O32 S4 -","4","1","","Peng, Shuang; Qi, Yan-Jie; Li, Xin-Hao; Sun, Cai; Li, Ling-Yun; Li, Xin-Xiong; Zheng, Shou-Tian; Zhang, Qichun","Two isomeric zeolite-like metal‒organic frameworks with mechanically responsive luminescence emission and gas adsorption properties","CrystEngComm","2021","23","34","5753","5757","10.1039/D1CE00464F","","x-ray","0.71073","MoKα","","0.0898","0.0659","","","0.1329","0.1516","","","","","","1.056","","","","has coordinates","268690","2021-09-06","10:32:57",""
"7242837","16.4415","0.0004","11.6143","0.0003","16.8425","0.0004","90","","118.923","0.001","90","","2815.03","0.12","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 F2 N2 -","- C16 H16 F2 N2 -","- C128 H128 F16 N16 -","8","2","","Zamisa, Sizwe J.; Bongoza, Unathi; Omondi, Bernard","Predicting molecular isomerism of symmetrical and unsymmetrical N,N′-diphenyl formamidines in the solid-state: crystal structure, Hirshfeld surface analysis, pairwise interaction energy, and ΔHfusion and ΔSfusion correlations","CrystEngComm","2021","23","25","4459","4474","10.1039/D1CE00458A","","x-ray","0.71073","MoKα","","0.0487","0.0384","","","0.0982","0.1055","","","","","","1.044","","","","has coordinates","267121","2021-07-05","17:10:25",""
"7242838","10.6079","0.0003","42.6839","0.0012","8.2782","0.0002","90","","128.984","0.001","90","","2913.6","0.14","173.15","","173.15","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C15 H14 Cl2 N2 -","- C15 H14 Cl2 N2 -","- C120 H112 Cl16 N16 -","8","2","","Zamisa, Sizwe J.; Bongoza, Unathi; Omondi, Bernard","Predicting molecular isomerism of symmetrical and unsymmetrical N,N′-diphenyl formamidines in the solid-state: crystal structure, Hirshfeld surface analysis, pairwise interaction energy, and ΔHfusion and ΔSfusion correlations","CrystEngComm","2021","23","25","4459","4474","10.1039/D1CE00458A","","x-ray","0.71073","MoKα","","0.035","0.0339","","","0.09","0.0907","","","","","","1.046","","","","has coordinates","267121","2021-07-05","17:10:28",""
"7242839","9.8974","0.0006","9.9742","0.0006","11.0128","0.0007","75.198","0.002","77.861","0.003","63.236","0.002","932.76","0.1","100","2","100.15","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H22 Cl2 N2 -","- C19 H22 Cl2 N2 -","- C38 H44 Cl4 N4 -","2","1","","Zamisa, Sizwe J.; Bongoza, Unathi; Omondi, Bernard","Predicting molecular isomerism of symmetrical and unsymmetrical N,N′-diphenyl formamidines in the solid-state: crystal structure, Hirshfeld surface analysis, pairwise interaction energy, and ΔHfusion and ΔSfusion correlations","CrystEngComm","2021","23","25","4459","4474","10.1039/D1CE00458A","","","0.71073","MoKα","","0.0353","0.033","","","0.0886","0.0904","","","","","","1.038","","","","has coordinates","267121","2021-07-05","17:10:28",""
"7242840","16.0655","0.0018","8.3654","0.0009","20.616","0.002","90","","93.309","0.005","90","","2766.1","0.5","173","2","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 Cl4 N2 -","- C13 H8 Cl4 N2 -","- C104 H64 Cl32 N16 -","8","2","","Zamisa, Sizwe J.; Bongoza, Unathi; Omondi, Bernard","Predicting molecular isomerism of symmetrical and unsymmetrical N,N′-diphenyl formamidines in the solid-state: crystal structure, Hirshfeld surface analysis, pairwise interaction energy, and ΔHfusion and ΔSfusion correlations","CrystEngComm","2021","23","25","4459","4474","10.1039/D1CE00458A","","x-ray","0.71073","MoKα","","0.0271","0.023","","","0.0581","0.0611","","","","","","1.041","","","","has coordinates","267121","2021-07-05","17:10:28",""
"7242841","8.3329","0.0003","8.5627","0.0003","21.7172","0.0007","90","","90","","90","","1549.57","0.09","173","2","173.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 Cl2 N2 -","- C16 H16 Cl2 N2 -","- C64 H64 Cl8 N8 -","4","1","","Zamisa, Sizwe J.; Bongoza, Unathi; Omondi, Bernard","Predicting molecular isomerism of symmetrical and unsymmetrical N,N′-diphenyl formamidines in the solid-state: crystal structure, Hirshfeld surface analysis, pairwise interaction energy, and ΔHfusion and ΔSfusion correlations","CrystEngComm","2021","23","25","4459","4474","10.1039/D1CE00458A","","x-ray","0.71073","MoKα","","0.0339","0.03","","","0.0716","0.0746","","","","","","1.038","","","","has coordinates","267121","2021-07-05","17:10:28",""
"7242842","24.677","0.005","21.78","0.005","25.025","0.005","90","0.005","109.5","0.005","90","0.005","12679","5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H24 N2 O15 Zn4 -","- C42 H24 N2 O15 Zn4 -","- C168 H96 N8 O60 Zn16 -","4","1","","Xie, Wei; Jiang, Wei; Xu, Guang-Juan; Zhang, Shu-Ran; Xu, Yan-Hong; Su, Zhong-Min","A luminescent metal‒organic framework with tetragonal nanochannels as an efficient chemosensor for nitroaromatic explosives detection","CrystEngComm","2021","23","21","3901","3906","10.1039/D1CE00331C","","","0.71069","MoKα","","0.1188","0.0578","","","0.1774","0.244","","","","","","0.718","","","","has coordinates","265990","2021-06-05","18:20:03",""
"7242854","5.9222","0.0017","13.176","0.004","26.122","0.008","90","","90","","90","","2038.3","1.1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 Br N O3 S -","- C21 H20 Br N O3 S -","- C84 H80 Br4 N4 O12 S4 -","4","1","","Zhou, Yanan; Ma, Hongzhi; Yang, Zhongxing; Wu, Chengjun; Sun, Tiemin","A systematic investigation on the impact of the level of oxidation at sulfur and the configuration of R/S-sulfoxide on the solid structure","CrystEngComm","2021","23","23","4181","4193","10.1039/D1CE00346A","","","0.71073","MoKα","","0.0737","0.0467","","","0.0863","0.0917","","","","","","1.036","","","","has coordinates","267128","2021-07-05","17:12:11",""
"7242855","7.8376","0.0016","10.864","0.002","24.59","0.005","90","","90","","90","","2093.8","0.7","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 Br N O5 S -","- C21 H20 Br N O5 S -","- C84 H80 Br4 N4 O20 S4 -","4","1","","Zhou, Yanan; Ma, Hongzhi; Yang, Zhongxing; Wu, Chengjun; Sun, Tiemin","A systematic investigation on the impact of the level of oxidation at sulfur and the configuration of R/S-sulfoxide on the solid structure","CrystEngComm","2021","23","23","4181","4193","10.1039/D1CE00346A","","","0.71073","MoKα","","0.0603","0.0453","","","0.1011","0.1058","","","","","","1.027","","","","has coordinates","267128","2021-07-05","17:12:11",""
"7242856","6.4439","0.0003","7.6636","0.0004","20.6198","0.001","90","","95.354","0.004","90","","1013.83","0.09","150","0.1","150","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H20 Br N O4 S -","- C21 H20 Br N O4 S -","- C42 H40 Br2 N2 O8 S2 -","2","1","","Zhou, Yanan; Ma, Hongzhi; Yang, Zhongxing; Wu, Chengjun; Sun, Tiemin","A systematic investigation on the impact of the level of oxidation at sulfur and the configuration of R/S-sulfoxide on the solid structure","CrystEngComm","2021","23","23","4181","4193","10.1039/D1CE00346A","","x-ray","0.71073","MoKα","","0.0727","0.0683","","","0.1848","0.1911","","","","","","1.028","","","","has coordinates","267128","2021-07-05","17:12:11",""
"7242857","11.0865","0.0015","11.0865","0.0015","16.544","0.005","90","","90","","90","","2033.4","0.7","293","2","293","2","","","","","","","","6","P 41","P 4w","76","","","","- C21 H20 Br N O4 S -","- C21 H20 Br N O4 S -","- C84 H80 Br4 N4 O16 S4 -","4","1","","Zhou, Yanan; Ma, Hongzhi; Yang, Zhongxing; Wu, Chengjun; Sun, Tiemin","A systematic investigation on the impact of the level of oxidation at sulfur and the configuration of R/S-sulfoxide on the solid structure","CrystEngComm","2021","23","23","4181","4193","10.1039/D1CE00346A","","","0.71073","MoKα","","0.0715","0.0551","","","0.1202","0.1248","","","","","","1.024","","","","has coordinates","267128","2021-07-05","17:12:11",""
"7242858","8.1982","0.0003","11.5358","0.0005","12.9597","0.0006","103.868","0.004","103.308","0.004","107.779","0.004","1070.33","0.09","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C24 H17 F Fe N3 O6 -","- C24 H17 F Fe N3 O6 -","- C48 H34 F2 Fe2 N6 O12 -","2","1","","Díaz-Torres, Raúl; Echeverría, Jorge; Loveday, Oliver; Harding, Phimphaka; Harding, David J.","Interplay of halogen and hydrogen bonding in a series of heteroleptic iron(iii) complexes","CrystEngComm","2021","23","22","4069","4076","10.1039/D1CE00480H","","x-ray","1.54184","CuKα","","0.0686","0.0629","","","0.1706","0.1762","","","","","","1.101","","","","has coordinates","267114","2021-07-05","17:08:28",""
"7242859","12.1991","0.0002","9.3756","0.0002","19.0747","0.0004","90","","95.6028","0.0019","90","","2171.22","0.07","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H17 Fe I N3 O6 -","- C24 H17 Fe I N3 O6 -","- C96 H68 Fe4 I4 N12 O24 -","4","1","","Díaz-Torres, Raúl; Echeverría, Jorge; Loveday, Oliver; Harding, Phimphaka; Harding, David J.","Interplay of halogen and hydrogen bonding in a series of heteroleptic iron(iii) complexes","CrystEngComm","2021","23","22","4069","4076","10.1039/D1CE00480H","","x-ray","1.54184","CuKα","","0.0675","0.0598","","","0.1651","0.1704","","","","","","1.092","","","","has coordinates","267114","2021-07-05","17:08:29",""
"7242860","8.2215","0.0002","11.9651","0.0003","12.8982","0.0003","105.94","0.002","105.557","0.002","104.264","0.002","1102.95","0.05","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C24 H17 Cl Fe N3 O6 -","- C24 H17 Cl Fe N3 O6 -","- C48 H34 Cl2 Fe2 N6 O12 -","2","1","","Díaz-Torres, Raúl; Echeverría, Jorge; Loveday, Oliver; Harding, Phimphaka; Harding, David J.","Interplay of halogen and hydrogen bonding in a series of heteroleptic iron(iii) complexes","CrystEngComm","2021","23","22","4069","4076","10.1039/D1CE00480H","","x-ray","1.54184","CuKα","","0.0813","0.0755","","","0.2066","0.2119","","","","","","1.045","","","","has coordinates","267114","2021-07-05","17:08:29",""
"7242861","12.2056","0.0001","9.3067","0.0001","18.8067","0.0002","90","","94.801","0.001","90","","2128.83","0.04","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H17 Br Fe N3 O6 -","- C24 H17 Br Fe N3 O6 -","- C96 H68 Br4 Fe4 N12 O24 -","4","1","","Díaz-Torres, Raúl; Echeverría, Jorge; Loveday, Oliver; Harding, Phimphaka; Harding, David J.","Interplay of halogen and hydrogen bonding in a series of heteroleptic iron(iii) complexes","CrystEngComm","2021","23","22","4069","4076","10.1039/D1CE00480H","","x-ray","1.54184","CuKα","","0.0489","0.0457","","","0.1206","0.1237","","","","","","1.056","","","","has coordinates","267114","2021-07-05","17:08:29",""
"7242862","22.6762","0.0012","24.9574","0.0012","32.1099","0.0016","90","","90","","90","","18172.2","1.6","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C115 H73 Cl7 Co14 N40 O18 S12 -","- C115 H73 Cl7 Co14 N40 O18 S12 -","- C460 H292 Cl28 Co56 N160 O72 S48 -","4","1","","Yu, Yanan; Wang, Zhao; Li, Ziping; Hang, Xinxin; Bi, Yanfeng","Assembly of {Co14} nanoclusters from adenine-modified Co4-thiacalix[4]arene units","CrystEngComm","2021","23","24","4382","4388","10.1039/D1CE00440A","","","0.71073","MoKα","","0.0644","0.0435","","","0.1087","0.119","","","","","","0.984","","","","has coordinates","267103","2021-07-05","17:05:47",""
"7242863","19.899","0.003","18.907","0.003","25.949","0.004","90","","90","","90","","9763","3","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C41 H36 Cl Co4 N11 O10 S4 -","- C41 H36 Cl Co4 N11 O10 S4 -","- C328 H288 Cl8 Co32 N88 O80 S32 -","8","1","","Yu, Yanan; Wang, Zhao; Li, Ziping; Hang, Xinxin; Bi, Yanfeng","Assembly of {Co14} nanoclusters from adenine-modified Co4-thiacalix[4]arene units","CrystEngComm","2021","23","24","4382","4388","10.1039/D1CE00440A","","","0.71073","MoKα","","0.0574","0.0348","","","0.0666","0.0742","","","","","","1.035","","","","has coordinates","267103","2021-07-05","17:05:47",""
"7242864","25.8926","0.0009","25.8926","0.0009","18.9542","0.0007","90","","90","","120","","11004.9","0.7","150","2","150","2","","","","","","","","7","P -6 2 c","P -6c -2c","190","","","","- C108 H66 Cl4 Co14 N30 O25 S12 -","- C108 H66 Cl4 Co14 N30 O25 S12 -","- C216 H132 Cl8 Co28 N60 O50 S24 -","2","0.166667","","Yu, Yanan; Wang, Zhao; Li, Ziping; Hang, Xinxin; Bi, Yanfeng","Assembly of {Co14} nanoclusters from adenine-modified Co4-thiacalix[4]arene units","CrystEngComm","2021","23","24","4382","4388","10.1039/D1CE00440A","","","0.71073","MoKα","","0.067","0.0523","","","0.1342","0.1484","","","","","","1.056","","","","has coordinates,has disorder","267103","2021-07-05","17:05:47",""
"7242865","15.8696","0.0018","18.177","0.002","33.267","0.004","96.052","0.004","95.278","0.004","108.469","0.003","8970.9","1.8","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C116 H88 Co14 N30 O31 S12 -","- C116 H81 Co14 N30 O31 S12 -","- C232 H162 Co28 N60 O62 S24 -","2","1","","Yu, Yanan; Wang, Zhao; Li, Ziping; Hang, Xinxin; Bi, Yanfeng","Assembly of {Co14} nanoclusters from adenine-modified Co4-thiacalix[4]arene units","CrystEngComm","2021","23","24","4382","4388","10.1039/D1CE00440A","","","0.71073","MoKα","","0.1029","0.0623","","","0.163","0.1824","","","","","","0.968","","","","has coordinates","267103","2021-07-05","17:05:47",""
"7242874","9.4388","0.00002","3.71","0.000014","15.0549","0.00003","90","","104.552","0.003","90","","510.279","0.007","295","","295","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C2 N3 S3 -","- C2 N3 S3 -","- C8 N12 S12 -","4","1","","Richardson, Jonathan G.; Mizuno, Asato; Shuku, Yoshiaki; Awaga, Kunio; Robertson, Neil; Morrison, Carole A.; Warren, Mark R.; Allan, David R.; Moggach, Stephen A.","Evaluating the high-pressure structural response and crystal lattice interactions of the magnetically-bistable organic radical TTTA","CrystEngComm","2021","23","25","4444","4450","10.1039/D1CE00577D","","","0.71073","MoKα","","0.0266","0.026","","0.0666","0.066","0.0666","","","","","","0.9909","","","","has coordinates","267123","2021-07-05","17:10:49",""
"7242875","9.28","0.01","3.3957","0.0003","14.64","0.003","90","","104.34","0.05","90","","447","0.5","293","","293","","","","2110000","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C2 N3 S3 -","- C2 N3 S3 -","- C8 N12 S12 -","4","1","","Richardson, Jonathan G.; Mizuno, Asato; Shuku, Yoshiaki; Awaga, Kunio; Robertson, Neil; Morrison, Carole A.; Warren, Mark R.; Allan, David R.; Moggach, Stephen A.","Evaluating the high-pressure structural response and crystal lattice interactions of the magnetically-bistable organic radical TTTA","CrystEngComm","2021","23","25","4444","4450","10.1039/D1CE00577D","","","0.4859","synchrotron","","0.049","0.0396","","0.1103","0.1041","0.1103","","","","","","1.0345","","","","has coordinates","267123","2021-07-05","17:10:50",""
"7242876","9.191","0.012","3.3508","0.0004","14.562","0.003","90","","104.44","0.06","90","","434.3","0.6","293","","293","","","","2910000","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C2 N3 S3 -","- C2 N3 S3 -","- C8 N12 S12 -","4","1","","Richardson, Jonathan G.; Mizuno, Asato; Shuku, Yoshiaki; Awaga, Kunio; Robertson, Neil; Morrison, Carole A.; Warren, Mark R.; Allan, David R.; Moggach, Stephen A.","Evaluating the high-pressure structural response and crystal lattice interactions of the magnetically-bistable organic radical TTTA","CrystEngComm","2021","23","25","4444","4450","10.1039/D1CE00577D","","","0.4859","synchrotron","","0.093","0.0707","","0.2935","0.2252","0.1772","","","","","","0.9887","","","","has coordinates","267123","2021-07-05","17:10:50",""
"7242877","9.327","0.01","3.462","0.0003","14.734","0.003","90","","104.37","0.05","90","","460.9","0.5","293","","293","","","","1300000","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C2 N3 S3 -","- C2 N3 S3 -","- C8 N12 S12 -","4","1","","Richardson, Jonathan G.; Mizuno, Asato; Shuku, Yoshiaki; Awaga, Kunio; Robertson, Neil; Morrison, Carole A.; Warren, Mark R.; Allan, David R.; Moggach, Stephen A.","Evaluating the high-pressure structural response and crystal lattice interactions of the magnetically-bistable organic radical TTTA","CrystEngComm","2021","23","25","4444","4450","10.1039/D1CE00577D","","","0.4859","synchrotron","","0.0534","0.0423","","0.1951","0.1669","0.0938","","","","","","1.0109","","","","has coordinates","267123","2021-07-05","17:10:50",""
"7242878","9.348","0.013","3.5161","0.0004","14.834","0.003","90","","104.56","0.07","90","","471.9","0.7","293","","293","","","","940000","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C2 N3 S3 -","- C2 N3 S3 -","- C8 N12 S12 -","4","1","","Richardson, Jonathan G.; Mizuno, Asato; Shuku, Yoshiaki; Awaga, Kunio; Robertson, Neil; Morrison, Carole A.; Warren, Mark R.; Allan, David R.; Moggach, Stephen A.","Evaluating the high-pressure structural response and crystal lattice interactions of the magnetically-bistable organic radical TTTA","CrystEngComm","2021","23","25","4444","4450","10.1039/D1CE00577D","","","0.4859","synchrotron","","0.0781","0.0702","","0.2023","0.1853","0.2023","","","","","","1.0951","","","","has coordinates","267123","2021-07-05","17:10:50",""
"7242879","9.409","0.011","3.6033","0.0003","14.945","0.003","90","","104.55","0.06","90","","490.4","0.6","293","","293","","","","330000","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C2 N3 S3 -","- C2 N3 S3 -","- C8 N12 S12 -","4","1","","Richardson, Jonathan G.; Mizuno, Asato; Shuku, Yoshiaki; Awaga, Kunio; Robertson, Neil; Morrison, Carole A.; Warren, Mark R.; Allan, David R.; Moggach, Stephen A.","Evaluating the high-pressure structural response and crystal lattice interactions of the magnetically-bistable organic radical TTTA","CrystEngComm","2021","23","25","4444","4450","10.1039/D1CE00577D","","","0.4859","synchrotron","","0.0811","0.0676","","0.6141","0.3208","0.1568","","","","","","0.9877","","","","has coordinates","267123","2021-07-05","17:10:50",""
"7242880","9.084","0.016","3.3013","0.0005","14.495","0.004","90","","104.62","0.08","90","","420.6","0.8","293","","293","","","","3940000","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C2 N3 S3 -","- C2 N3 S3 -","- C8 N12 S12 -","4","1","","Richardson, Jonathan G.; Mizuno, Asato; Shuku, Yoshiaki; Awaga, Kunio; Robertson, Neil; Morrison, Carole A.; Warren, Mark R.; Allan, David R.; Moggach, Stephen A.","Evaluating the high-pressure structural response and crystal lattice interactions of the magnetically-bistable organic radical TTTA","CrystEngComm","2021","23","25","4444","4450","10.1039/D1CE00577D","","","0.4859","synchrotron","","0.078","0.0626","","0.2217","0.1978","0.1312","","","","","","0.8998","","","","has coordinates","267123","2021-07-05","17:10:50",""
"7242881","9.323","0.011","3.4191","0.0004","14.678","0.003","90","","104.31","0.06","90","","453.4","0.6","293","","293","","","","1760000","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C2 N3 S3 -","- C2 N3 S3 -","- C8 N12 S12 -","4","1","","Richardson, Jonathan G.; Mizuno, Asato; Shuku, Yoshiaki; Awaga, Kunio; Robertson, Neil; Morrison, Carole A.; Warren, Mark R.; Allan, David R.; Moggach, Stephen A.","Evaluating the high-pressure structural response and crystal lattice interactions of the magnetically-bistable organic radical TTTA","CrystEngComm","2021","23","25","4444","4450","10.1039/D1CE00577D","","","0.4859","synchrotron","","0.0458","0.0359","","0.1147","0.1103","0.0571","","","","","","1.0008","","","","has coordinates","267123","2021-07-05","17:10:50",""
"7242882","9.24","0.012","3.371","0.0004","14.596","0.003","90","","104.46","0.06","90","","440.2","0.6","293","","293","","","","2540000","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C2 N3 S3 -","- C2 N3 S3 -","- C8 N12 S12 -","4","1","","Richardson, Jonathan G.; Mizuno, Asato; Shuku, Yoshiaki; Awaga, Kunio; Robertson, Neil; Morrison, Carole A.; Warren, Mark R.; Allan, David R.; Moggach, Stephen A.","Evaluating the high-pressure structural response and crystal lattice interactions of the magnetically-bistable organic radical TTTA","CrystEngComm","2021","23","25","4444","4450","10.1039/D1CE00577D","","","0.4859","synchrotron","","0.0717","0.0488","","0.1445","0.1346","0.0944","","","","","","1.0084","","","","has coordinates","267123","2021-07-05","17:10:50",""
"7242883","9.07","0.02","3.268","0.0007","14.418","0.006","90","","104.63","0.11","90","","413.5","1","293","","293","","","","4560000","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C2 N3 S3 -","- C2 N3 S3 -","- C8 N12 S12 -","4","1","","Richardson, Jonathan G.; Mizuno, Asato; Shuku, Yoshiaki; Awaga, Kunio; Robertson, Neil; Morrison, Carole A.; Warren, Mark R.; Allan, David R.; Moggach, Stephen A.","Evaluating the high-pressure structural response and crystal lattice interactions of the magnetically-bistable organic radical TTTA","CrystEngComm","2021","23","25","4444","4450","10.1039/D1CE00577D","","","0.4859","synchrotron","","0.0768","0.0593","","0.1853","0.1598","0.1725","","","","","","1.0051","","","","has coordinates","267123","2021-07-05","17:10:50",""
"7242884","14.4874","0.0009","14.58","0.0009","22.5228","0.0015","103.963","0.003","91.48","0.003","116.861","0.003","4068.4","0.5","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C82 H67 N Ni2 O28 Ti4 -","- C82 H67 N Ni2 O28 Ti4 -","- C164 H134 N2 Ni4 O56 Ti8 -","2","1","","Wang, Chao; Lu, Yong Jun; Rao, Ming Yang; Chen, Ning; Wang, Shou Juan; Kong, Fan Gong","Co-crystal of Ti4Ni2 and Ti8Ni4 clusters with enhanced photochemical properties","CrystEngComm","2021","23","24","4402","4407","10.1039/D1CE00369K","","","0.71073","MoKα","","0.0934","0.0557","","","0.1464","0.1753","","","","","","1.008","","","","has coordinates","267106","2021-07-05","17:06:36",""
"7242885","13.2237","0.0002","15.5692","0.0002","30.2206","0.0004","78.592","0.001","79.325","0.001","71.855","0.001","5744.39","0.14","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C226 H193 N7 Ni6 O78 Ti12 -","- C226 H193 N7 Ni6 O78 Ti12 -","- C226 H193 N7 Ni6 O78 Ti12 -","1","0.5","","Wang, Chao; Lu, Yong Jun; Rao, Ming Yang; Chen, Ning; Wang, Shou Juan; Kong, Fan Gong","Co-crystal of Ti4Ni2 and Ti8Ni4 clusters with enhanced photochemical properties","CrystEngComm","2021","23","24","4402","4407","10.1039/D1CE00369K","","x-ray","1.54184","CuKα","","0.0527","0.0485","","","0.1356","0.1401","","","","","","1.066","","","","has coordinates,has disorder","267106","2021-07-05","17:06:37",""
"7242890","5.9524","0.0006","10.0773","0.0009","17.1337","0.0014","90","","90","","90","","1027.75","0.16","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H11 N3 -","- C13 H11 N3 -","- C52 H44 N12 -","4","1","","Fiore, Cecilia; Shemchuk, Oleksii; Grepioni, Fabrizia; Turner, Raymond J.; Braga, Dario","Proflavine and zinc chloride “team chemistry”: combining antibacterial agents via solid-state interaction","CrystEngComm","2021","23","25","4494","4499","10.1039/D1CE00612F","","x-ray","0.71073","MoKα","","0.1707","0.0714","","","0.1529","0.2228","","","","","","0.839","","","","has coordinates","267125","2021-07-05","17:11:06",""
"7242891","7.517","0.0005","12.5737","0.001","15.5867","0.001","89.941","0.006","77.478","0.005","75.976","0.006","1393.23","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H16 Cl N3 O2 -","- C13 H16 Cl N3 O2 -","- C52 H64 Cl4 N12 O8 -","4","2","","Fiore, Cecilia; Shemchuk, Oleksii; Grepioni, Fabrizia; Turner, Raymond J.; Braga, Dario","Proflavine and zinc chloride “team chemistry”: combining antibacterial agents via solid-state interaction","CrystEngComm","2021","23","25","4494","4499","10.1039/D1CE00612F","","x-ray","0.71073","MoKα","","0.165","0.0617","","","0.0943","0.1278","","","","","","0.975","","","","has coordinates","267125","2021-07-05","17:11:06",""
"7242892","8.7727","0.0004","10.1439","0.0005","16.8688","0.0009","100.796","0.004","93.143","0.004","112.422","0.004","1349.85","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H26 Cl4 N6 O Zn -","- C26 H26 Cl4 N6 O Zn -","- C52 H52 Cl8 N12 O2 Zn2 -","2","1","","Fiore, Cecilia; Shemchuk, Oleksii; Grepioni, Fabrizia; Turner, Raymond J.; Braga, Dario","Proflavine and zinc chloride “team chemistry”: combining antibacterial agents via solid-state interaction","CrystEngComm","2021","23","25","4494","4499","10.1039/D1CE00612F","","x-ray","0.71073","MoKα","","0.1049","0.0636","","","0.0884","0.1033","","","","","","1.072","","","","has coordinates","267125","2021-07-05","17:11:06",""
"7242893","12.1724","0.0001","9.6326","0.0003","6.7045","0.0001","104.858","0.0003","104.436","0.0001","85.7581","0.0001","735.8","0.03","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H12 Cl3 N3 Zn -","- C13 H12 Cl3 N3 Zn -","- C26 H24 Cl6 N6 Zn2 -","2","1","","Fiore, Cecilia; Shemchuk, Oleksii; Grepioni, Fabrizia; Turner, Raymond J.; Braga, Dario","Proflavine and zinc chloride “team chemistry”: combining antibacterial agents via solid-state interaction","CrystEngComm","2021","23","25","4494","4499","10.1039/D1CE00612F","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","0.0089","1.29098","","","","","","","has coordinates","267125","2021-07-05","17:11:06",""
"7242894","7.144","0.008","12.849","0.017","15.65","0.02","75.61","0.03","83.28","0.03","83.22","0.03","1376","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H33 Co N5 O10 S -","- C23 H33 Co N5 O10 S -","- C46 H66 Co2 N10 O20 S2 -","2","1","","Yan, Min; Zhu, Peizhi; Yang, Shengyang; Kong, Wei-Jian; Wang, Jian; Zhang, Kou-Lin","A newly-constructed hydrolytically stable Co(ii) coordination polymer showing dual responsive fluorescence sensing of pH and Cu2+","CrystEngComm","2021","23","24","4370","4381","10.1039/D1CE00404B","","","0.71073","MoKα","","0.1043","0.0528","","","0.0979","0.1131","","","","","","1.011","","","","has coordinates","267104","2021-07-05","17:05:54",""
"7242895","6.8212","0.0003","13.3401","0.0005","18.5886","0.0007","80.8654","0.0017","89.4342","0.0017","81.6705","0.0016","1652.26","0.11","143","2","143","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H8 O3 -","- C10 H8 O3 -","- C80 H64 O24 -","8","4","","Yano, Kanae; Nishimura, Ryo; Hattori, Yohei; Morimoto, Masakazu; Sugiyama, Haruki; Kamitanaka, Takashi; Yokojima, Satoshi; Nakamura, Shinichio; Uchida, Kingo","Photoinduced topographical surface changes and photoresponse of the crystals of 7-methoxycoumarin","CrystEngComm","2021","23","34","5780","5787","10.1039/D1CE00444A","","","0.71073","MoKa","","0.0663","0.0574","","","0.1321","0.1396","","","","","","1.191","","","","has coordinates","268677","2021-09-06","10:30:17",""
"7242896","6.8504","0.0008","10.7265","0.0013","12.3293","0.0015","107.962","0.004","95.521","0.004","95.436","0.004","850.38","0.18","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","7-methoxycoumarin","","- C10 H8 O3 -","- C10 H8 O3 -","- C40 H32 O12 -","4","2","","Yano, Kanae; Nishimura, Ryo; Hattori, Yohei; Morimoto, Masakazu; Sugiyama, Haruki; Kamitanaka, Takashi; Yokojima, Satoshi; Nakamura, Shinichio; Uchida, Kingo","Photoinduced topographical surface changes and photoresponse of the crystals of 7-methoxycoumarin","CrystEngComm","2021","23","34","5780","5787","10.1039/D1CE00444A","","","0.71073","MoKa","","0.1105","0.0708","","","0.1792","0.2183","","","","","","1.115","","","","has coordinates","268677","2021-09-06","10:30:17",""
"7242897","6.8137","0.0003","10.6684","0.0005","12.4313","0.0006","108.189","0.0015","95.2297","0.0015","95.2045","0.0015","848.11","0.07","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H8 O3 -","- C10 H8 O3 -","- C40 H32 O12 -","4","2","","Yano, Kanae; Nishimura, Ryo; Hattori, Yohei; Morimoto, Masakazu; Sugiyama, Haruki; Kamitanaka, Takashi; Yokojima, Satoshi; Nakamura, Shinichio; Uchida, Kingo","Photoinduced topographical surface changes and photoresponse of the crystals of 7-methoxycoumarin","CrystEngComm","2021","23","34","5780","5787","10.1039/D1CE00444A","","","0.71073","MoKa","","0.0868","0.0627","","","0.1386","0.1625","","","","","","1.114","","","","has coordinates","268677","2021-09-06","10:30:17",""
"7242898","14.6312","0.0007","12.0469","0.0006","18.6651","0.001","90","","90","","90","","3289.9","0.3","143","2","143","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C20 H16 O6 -","- C20 H16 O6 -","- C160 H128 O48 -","8","1","","Yano, Kanae; Nishimura, Ryo; Hattori, Yohei; Morimoto, Masakazu; Sugiyama, Haruki; Kamitanaka, Takashi; Yokojima, Satoshi; Nakamura, Shinichio; Uchida, Kingo","Photoinduced topographical surface changes and photoresponse of the crystals of 7-methoxycoumarin","CrystEngComm","2021","23","34","5780","5787","10.1039/D1CE00444A","","","0.71073","MoKa","","0.0535","0.0511","","","0.1336","0.1368","","","","","","1.305","","","","has coordinates","268677","2021-09-06","10:30:17",""
"7242899","10.3129","0.0004","16.4452","0.0006","14.8941","0.0005","90","","103.446","0.002","90","","2456.77","0.16","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 Na3.8 O45 Ru2 W8 -","- C12 H12 Na3.8 O45 Ru2 W8 -","- C24 H24 Na7.6 O90 Ru4 W16 -","2","0.5","","Mukhacheva, Anna A.; Komarov, Vladislav Yu.; Kokovkin, Vasily V.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.","Unusual π‒π interactions directed by the [{(C6H6)Ru}2W8O30(OH)2]6− hybrid anion","CrystEngComm","2021","23","23","4125","4135","10.1039/D1CE00319D","","x-ray","0.71073","MoKα","","0.1002","0.0513","","","0.112","0.1285","","","","","","0.948","","","","has coordinates","267129","2021-07-05","17:12:24",""
"7242900","25.8211","0.0011","16.9966","0.0007","17.3342","0.0007","90","","127.743","0.001","90","","6015.7","0.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 Na6 O52 Ru2 W8 -","- C12 H12 Na6 O52 Ru2 W8 -","- C48 H48 Na24 O208 Ru8 W32 -","4","0.5","","Mukhacheva, Anna A.; Komarov, Vladislav Yu.; Kokovkin, Vasily V.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.","Unusual π‒π interactions directed by the [{(C6H6)Ru}2W8O30(OH)2]6− hybrid anion","CrystEngComm","2021","23","23","4125","4135","10.1039/D1CE00319D","","x-ray","0.71073","MoKα","","0.0404","0.0322","","","0.0784","0.0812","","","","","","1.032","","","","has coordinates","267129","2021-07-05","17:12:24",""
"7242901","20.5086","0.0008","17.1615","0.0007","17.3902","0.0008","90","","93.08","0.004","90","","6111.8","0.4","150","2","150","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C12 H54 Na4 O48.95 Ru2 W8 -","- C12 H12 Na4 O48.95 Ru2 W8 -","- C48 H48 Na16 O195.8 Ru8 W32 -","4","0.5","","Mukhacheva, Anna A.; Komarov, Vladislav Yu.; Kokovkin, Vasily V.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.","Unusual π‒π interactions directed by the [{(C6H6)Ru}2W8O30(OH)2]6− hybrid anion","CrystEngComm","2021","23","23","4125","4135","10.1039/D1CE00319D","","x-ray","0.71073","MoKα","","0.0499","0.0372","","","0.091","0.0966","","","","","","1.061","","","","has coordinates","267129","2021-07-05","17:12:24",""
"7242902","24.1881","0.0007","18.2571","0.0006","16.5476","0.0006","90","","125.354","0.001","90","","5959.9","0.3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 Na0.5 O38.7 Ru2 W8 -","- C12 H12 Na0.5 O38.7 Ru2 W8 -","- C48 H48 Na2 O154.8 Ru8 W32 -","4","0.5","","Mukhacheva, Anna A.; Komarov, Vladislav Yu.; Kokovkin, Vasily V.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.","Unusual π‒π interactions directed by the [{(C6H6)Ru}2W8O30(OH)2]6− hybrid anion","CrystEngComm","2021","23","23","4125","4135","10.1039/D1CE00319D","","x-ray","0.71073","MoKα","","0.0926","0.0532","","","0.1379","0.1518","","","","","","1.045","","","","has coordinates","267129","2021-07-05","17:12:24",""
"7242903","25.5718","0.0004","17.0393","0.0003","17.3183","0.0003","90","","127.656","0.001","90","","5974.14","0.19","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 Na4.2 O54.4 Ru2 W8 -","- C12 H12 Na4.2 O54.4 Ru2 W8 -","- C48 H48 Na16.8 O217.6 Ru8 W32 -","4","0.5","","Mukhacheva, Anna A.; Komarov, Vladislav Yu.; Kokovkin, Vasily V.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.","Unusual π‒π interactions directed by the [{(C6H6)Ru}2W8O30(OH)2]6− hybrid anion","CrystEngComm","2021","23","23","4125","4135","10.1039/D1CE00319D","","x-ray","0.71073","MoKα","","0.0578","0.0396","","","0.082","0.089","","","","","","1.07","","","","has coordinates","267129","2021-07-05","17:12:24",""
"7242904","41.592","0.007","16.437","0.003","14.21","0.003","90","","90.489","0.011","90","","9714","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H38 N4 O13 Zn2 -","- C50 H36 N4 O13 Zn2 -","- C400 H288 N32 O104 Zn16 -","8","1","","Yang, Xiang-Kai; Lee, Wei-Te; Hu, Ji-Hong; Chen, Jhy-Der","Zn(ii) and Cd(ii) coordination polymers with a new angular bis-pyridyl-bis-amide: synthesis, structures and sensing properties","CrystEngComm","2021","23","25","4486","4493","10.1039/D1CE00409C","","","0.71073","MoKα","","0.0749","0.043","","","0.1262","0.1431","","","","","","1.004","","","","has coordinates,has disorder","267122","2021-07-05","17:10:40",""
"7242905","14.2507","0.0004","19.6734","0.0007","16.6986","0.0005","90","","98.1584","0.0018","90","","4634.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H40 Cd2 N4 O12 -","- C52 H40 Cd2 N4 O12 -","- C208 H160 Cd8 N16 O48 -","4","1","","Yang, Xiang-Kai; Lee, Wei-Te; Hu, Ji-Hong; Chen, Jhy-Der","Zn(ii) and Cd(ii) coordination polymers with a new angular bis-pyridyl-bis-amide: synthesis, structures and sensing properties","CrystEngComm","2021","23","25","4486","4493","10.1039/D1CE00409C","","","0.71073","MoKα","","0.0565","0.0396","","","0.0985","0.1067","","","","","","1.037","","","","has coordinates","267122","2021-07-05","17:10:40",""
"7242907","13.0012","0.0007","20.168","0.0008","38.2835","0.0016","90","","93.6201","0.0018","90","","10018.2","0.8","150","2","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H39 Cl2 K10 N13.5 O64 V24 -","- C27 H39 Cl2 K10 N13.5 O64 V24 -","- C108 H156 Cl8 K40 N54 O256 V96 -","4","1","","Greiner, Simon; Anjass, Montaha; Streb, Carsten","Supramolecular assembly of a hierarchically structured 3D potassium vanadate framework","CrystEngComm","2021","23","22","3946","3950","10.1039/D1CE00661D","","","0.71073","MoKα","","0.1005","0.0792","","","0.1389","0.1469","","","","","","1.156","","","","has coordinates","267111","2021-07-05","17:08:02",""
"7242918","23.6033","0.0008","23.6033","0.0008","23.6033","0.0008","90","","90","","90","","13149.8","0.8","100","2","100","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C60 H36 Co4 F3 N15 O10 S -","- C60 H36 Co4 F3 N15 O10 S -","- C240 H144 Co16 F12 N60 O40 S4 -","4","0.333333","","Liu, Teng; Shen, Xianfu; Shen, Xiang; He, Chixian; Liu, Jiaming; Liu, Jian-Jun","A highly stable metal‒organic framework with cubane-like clusters for the selective oxidation of aryl alkenes to aldehydes or ketones","CrystEngComm","2021","23","26","4667","4673","10.1039/D1CE00545F","","","0.71073","MoKα","","0.0611","0.0394","","","0.0842","0.0908","","","","","","1.002","","","","has coordinates","268658","2021-09-06","10:26:12",""
"7242919","17.196","0.003","14.198","0.003","13.203","0.003","90","","90.97","0.03","90","","3223","1.1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 B Dy Fe N14 O9 -","- C24 H23 B Dy Fe N14 O9 -","- C96 H92 B4 Dy4 Fe4 N56 O36 -","4","1","","Visinescu, Diana; Alexandru, Maria-Gabriela; Dumitrescu, Dan G.; Shova, Sergiu; Moliner, Nicolás; Lloret, Francesc; Julve, Miguel","Cyanido-bridged {FeIIILnIII} heterobimetallic chains assembled through the [FeIII{HB(pz)3}(CN)3]− complex as metalloligand: synthesis, crystal structure and magnetic properties","CrystEngComm","2021","23","26","4615","4626","10.1039/D1CE00626F","","","0.71073","MoKα","","0.0571","0.0494","","","0.1332","0.138","","","","","","1.067","","","","has coordinates,has disorder","268662","2021-09-06","10:26:42",""
"7242920","17.194","0.003","14.188","0.003","13.177","0.003","90","","90.93","0.03","90","","3214.1","1.1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 B Fe Ho N14 O9 -","- C24 H23 B Fe Ho N14 O9 -","- C96 H92 B4 Fe4 Ho4 N56 O36 -","4","1","","Visinescu, Diana; Alexandru, Maria-Gabriela; Dumitrescu, Dan G.; Shova, Sergiu; Moliner, Nicolás; Lloret, Francesc; Julve, Miguel","Cyanido-bridged {FeIIILnIII} heterobimetallic chains assembled through the [FeIII{HB(pz)3}(CN)3]− complex as metalloligand: synthesis, crystal structure and magnetic properties","CrystEngComm","2021","23","26","4615","4626","10.1039/D1CE00626F","","","0.71073","Mokα","","0.0484","0.0402","","","0.1016","0.1059","","","","","","1.05","","","","has coordinates,has disorder","268662","2021-09-06","10:26:43",""
"7242921","17.221","0.003","14.199","0.003","13.197","0.003","90","","90.93","0.03","90","","3226.5","1.1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 B Fe N14 O9 Tb -","- C24 H23 B Fe N14 O9 Tb -","- C96 H92 B4 Fe4 N56 O36 Tb4 -","4","1","","Visinescu, Diana; Alexandru, Maria-Gabriela; Dumitrescu, Dan G.; Shova, Sergiu; Moliner, Nicolás; Lloret, Francesc; Julve, Miguel","Cyanido-bridged {FeIIILnIII} heterobimetallic chains assembled through the [FeIII{HB(pz)3}(CN)3]− complex as metalloligand: synthesis, crystal structure and magnetic properties","CrystEngComm","2021","23","26","4615","4626","10.1039/D1CE00626F","","","0.71073","MoKα","","0.0611","0.0526","","","0.1475","0.1543","","","","","","1.038","","","","has coordinates,has disorder","268662","2021-09-06","10:26:43",""
"7242922","17.244","0.003","14.193","0.003","13.216","0.003","90","","90.93","0.03","90","","3234.1","1.2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 B Fe Gd N14 O9 -","- C24 H23 B Fe Gd N14 O9 -","- C96 H92 B4 Fe4 Gd4 N56 O36 -","4","1","","Visinescu, Diana; Alexandru, Maria-Gabriela; Dumitrescu, Dan G.; Shova, Sergiu; Moliner, Nicolás; Lloret, Francesc; Julve, Miguel","Cyanido-bridged {FeIIILnIII} heterobimetallic chains assembled through the [FeIII{HB(pz)3}(CN)3]− complex as metalloligand: synthesis, crystal structure and magnetic properties","CrystEngComm","2021","23","26","4615","4626","10.1039/D1CE00626F","","","0.71073","MoKα","","0.0672","0.0617","","","0.1673","0.171","","","","","","1.038","","","","has coordinates,has disorder","268662","2021-09-06","10:26:43",""
"7242926","6.6598","0.0004","10.7886","0.0006","19.2106","0.0008","96.432","0.002","98.294","0.002","107.416","0.002","1285.5","0.12","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H16 Cd Cl N6 O11 -","- C26 H16 Cd Cl N6 O11 -","- C52 H32 Cd2 Cl2 N12 O22 -","2","1","","Zhang, Guoshuai; Fu, Chen; Zhang, Heyi; Zhang, Hong","A multifunctional colorimetric sensor originating from a cadmium naphthalene diimide-based metal‒organic framework: photochromism, hydrochromism, and vapochromism","CrystEngComm","2021","23","25","4513","4521","10.1039/D1CE00352F","","","0.71073","MoKα","","0.0329","0.0268","","","0.0664","0.0693","","","","","","1.084","","","","has coordinates","267126","2021-07-05","17:11:18",""
"7242927","8.6981","0.0005","12.6447","0.0006","12.8788","0.0007","81.679","0.004","77.685","0.004","78.768","0.004","1349.48","0.13","150","0.1","150","0.1","","","","","","","","3","P -1","-P 1","2","","2-Cyano-3-((8-(dimethylamino)-4,5-diphenylnaphthalen-1-yl)-","","- C35 H29 N3 -","- C35 H29 N3 -","- C70 H58 N6 -","2","1","","Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.","Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints","CrystEngComm","2021","23","25","4500","4512","10.1039/D1CE00377A","","x-ray","0.71073","MoKα","","0.0798","0.0522","","","0.1104","0.1233","","","","","","1.03","","","","has coordinates","267127","2021-07-05","17:11:49",""
"7242928","10.7625","0.0005","32.3176","0.001","8.613","0.0003","90","","98.945","0.004","90","","2959.3","0.2","150.01","0.1","150.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,2,3,4-Tetrahydro-1,2,2-trimethyl-spiro[cyclopentan-1,3-acenaphth[5,6-bc]azepine]-2,5-dione","","- C20 H19 N O2 -","- C20 H19 N O2 -","- C160 H152 N8 O16 -","8","2","","Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.","Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints","CrystEngComm","2021","23","25","4500","4512","10.1039/D1CE00377A","","x-ray","0.71073","MoKα","","0.1484","0.104","","","0.1877","0.2072","","","","","","1.15","","","","has coordinates","267127","2021-07-05","17:11:49",""
"7242929","8.4109","0.0002","9.6735","0.0003","17.0655","0.0005","90","","90.496","0.002","90","","1388.45","0.07","150.01","0.1","150.01","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4,5-diiodo-9,9-dimethyl-9H-fluorene","","- C15 H12 I2 -","- C15 H12 I2 -","- C60 H48 I8 -","4","1","","Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.","Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints","CrystEngComm","2021","23","25","4500","4512","10.1039/D1CE00377A","","x-ray","0.71073","MoKα","","0.0366","0.0289","","","0.0613","0.0646","","","","","","1.05","","","","has coordinates","267127","2021-07-05","17:11:49",""
"7242930","10.4257","0.0003","8.8243","0.0003","18.7805","0.0007","90","","101.546","0.003","90","","1692.83","0.1","150.01","0.1","150.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,2,3,4-Tetrahydro-1,2,2-trimethyl-spiro[1,3-dioxane-5,3-acenaphth[5,6-bc]azepine]-4,6-dione","","- C21 H21 N O4 -","- C21 H21 N O4 -","- C84 H84 N4 O16 -","4","1","","Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.","Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints","CrystEngComm","2021","23","25","4500","4512","10.1039/D1CE00377A","","x-ray","0.71073","MoKα","","0.0764","0.0552","","","0.1024","0.1132","","","","","","1.094","","","","has coordinates,has disorder","267127","2021-07-05","17:11:49",""
"7242931","8.7457","0.0005","9.3638","0.0007","11.2739","0.0007","108.887","0.006","91.171","0.005","113.671","0.006","787.91","0.11","150.01","0.1","150.01","0.1","","","","","","","","4","P -1","-P 1","2","","methyl (E)-2-cyano-3-(6-(dimethylamino)-1,2-dihydroacenaphthylen-5-yl)propenoate,","","- C19 H18 N2 O2 -","- C19 H18 N2 O2 -","- C38 H36 N4 O4 -","2","1","","Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.","Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints","CrystEngComm","2021","23","25","4500","4512","10.1039/D1CE00377A","","x-ray","0.71073","MoKα","","0.0683","0.0506","","","0.1229","0.136","","","","","","1.058","","","","has coordinates","267127","2021-07-05","17:11:49",""
"7242932","10.9539","0.0003","9.5493","0.0003","19.3902","0.0006","90","","104.652","0.003","90","","1962.3","0.11","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,2,2,8,8-Pentamethyl-1,2,3,4-tetrahydro-8H-spiro[1,3-dioxane-5,3-fluoreno[4,5-bcd]azocine]-4,6-dione","","- C24 H25 N O4 -","- C24 H25 N O4 -","- C96 H100 N4 O16 -","4","1","","Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.","Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints","CrystEngComm","2021","23","25","4500","4512","10.1039/D1CE00377A","","x-ray","0.71073","MoKα","","0.0681","0.051","","","0.103","0.1109","","","","","","1.057","","","","has coordinates","267127","2021-07-05","17:11:49",""
"7242933","15.2738","0.0006","10.3218","0.0004","10.2175","0.0003","90","","93.356","0.003","90","","1608.06","0.1","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,2,3,4-Tetrahydro-1,2,2-trimethyl-spiro[cyclohexan-1,3-acenaphth[5,6-bc]azepine]-2,6-dione","","- C21 H21 N O2 -","- C21 H21 N O2 -","- C84 H84 N4 O8 -","4","1","","Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.","Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints","CrystEngComm","2021","23","25","4500","4512","10.1039/D1CE00377A","","x-ray","0.71073","MoKα","","0.0695","0.0514","","","0.1004","0.1111","","","","","","1.084","","","","has coordinates","267127","2021-07-05","17:11:49",""
"7242934","9.1836","0.0006","9.4806","0.0005","13.2584","0.0008","90","","99.767","0.007","90","","1137.62","0.12","150.01","0.1","150.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-Dimethylamino-1,2-dihydroacenaphthylene-5-carbaldehyde","","- C15 H15 N O -","- C15 H15 N O -","- C60 H60 N4 O4 -","4","1","","Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.","Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints","CrystEngComm","2021","23","25","4500","4512","10.1039/D1CE00377A","","x-ray","0.71073","MoKα","","0.0607","0.0487","","","0.1057","0.1119","","","","","","1.067","","","","has coordinates","267127","2021-07-05","17:11:49",""
"7242935","9.7431","0.0003","6.9459","0.0002","12.1403","0.0004","90","","105.257","0.004","90","","792.63","0.05","150.01","0.1","150.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","3-Nitro-1,2,3,4-tetrahydro-1,8,8-trimethyl-8H-fluoreno[4,5-bcd]azocine","","- C19 H20 N2 O2 -","- C19 H20 N2 O2 -","- C38 H40 N4 O4 -","2","1","","Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.","Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints","CrystEngComm","2021","23","25","4500","4512","10.1039/D1CE00377A","","x-ray","0.71073","MoKα","","0.052","0.0462","","","0.0935","0.0961","","","","","","1.077","","","","has coordinates","267127","2021-07-05","17:11:49",""
"7242936","24.7956","0.0001","24.7956","0.0001","9.4744","0.0001","90","","90","","90","","5825.07","0.07","149.99","0.1","149.99","0.1","","","","","","","","4","I 41 c d","I 4bw -2c","110","","4-(dimethylamino)-9,9-dimethyl-9H-fluorene-5-carbaldehyde","","- C18 H19 N O -","- C18 H19 N O -","- C288 H304 N16 O16 -","16","1","","Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.","Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints","CrystEngComm","2021","23","25","4500","4512","10.1039/D1CE00377A","","x-ray","1.54184","CuKα","","0.0322","0.0314","","","0.0797","0.0803","","","","","","1.072","","","","has coordinates","267127","2021-07-05","17:11:49",""
"7242937","18.4256","0.0004","11.2921","0.0003","16.4939","0.0004","90","","99.223","0.002","90","","3387.42","0.14","150","0.1","150","0.1","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","2-cyano-2-((4-(dimethylamino)-9,9-dimethyl-9H-fluoren-5-yl) propenenitrile","","- C21 H19 N3 -","- C21 H19 N3 -","- C168 H152 N24 -","8","1","","Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.","Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints","CrystEngComm","2021","23","25","4500","4512","10.1039/D1CE00377A","","x-ray","0.71073","MoKα","","0.0605","0.0478","","","0.1108","0.1188","","","","","","1.042","","","","has coordinates","267127","2021-07-05","17:11:49",""
"7242938","10.6932","0.0003","8.4601","0.0003","25.0272","0.0008","90","","101.328","0.003","90","","2219.99","0.13","150.01","0.1","150.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Cyano-(1,1-dimethyl-5,6-diphenyl-1,2-dihydrobenzo[cd]indol-1-ium-2-yl)-methoxycarbonyl-methanide","","- C29 H24 N2 O2 -","- C29 H24 N2 O2 -","- C116 H96 N8 O8 -","4","1","","Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.","Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints","CrystEngComm","2021","23","25","4500","4512","10.1039/D1CE00377A","","x-ray","0.71073","MoKα","","0.0459","0.0399","","","0.1027","0.1067","","","","","","1.026","","","","has coordinates","267127","2021-07-05","17:11:49",""
"7242939","22.0584","0.0007","9.7183","0.0002","16.5596","0.0004","90","","99.142","0.003","90","","3504.79","0.16","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","1-Dimethylamino-4,5-diphenylnaphthalene","","- C24 H21 N -","- C24 H21 N -","- C192 H168 N8 -","8","1","","Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.","Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints","CrystEngComm","2021","23","25","4500","4512","10.1039/D1CE00377A","","","0.71073","MoKα","","0.0746","0.0476","","","0.1015","0.1137","","","","","","1.03","","","","has coordinates","267127","2021-07-05","17:11:49",""
"7242940","9.8042","0.0002","15.4073","0.0004","52.7317","0.0011","90","","90","","90","","7965.5","0.3","150.01","0.1","150.01","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","N,N-Bis(4,5-diphenyl-8-dimethylaminonaphth-1-methylidene)-1,2-ethanediamine,","","- C52 H46 N4 -","- C52 H46 N4 -","- C416 H368 N32 -","8","1","","Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.","Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints","CrystEngComm","2021","23","25","4500","4512","10.1039/D1CE00377A","","x-ray","1.54184","CuKα","","0.0752","0.0524","","","0.1278","0.1423","","","","","","1.024","","","","has coordinates","267127","2021-07-05","17:11:49",""
"7242941","19.4622","0.0012","9.934","0.0008","29.6756","0.0015","90","","93.325","0.005","90","","5727.7","0.6","150.01","0.1","150.01","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","1-(1,1-dimethyl-5,6-diphenyl-1,2-dihydrobenzo[cd]indol-1-ium-2-yl)-2,6-dioxocyclohexan-1-ide","","- C32 H28 Cl3 N O2 -","- C32 H28 Cl3 N O2 -","- C256 H224 Cl24 N8 O16 -","8","1","","Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.","Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints","CrystEngComm","2021","23","25","4500","4512","10.1039/D1CE00377A","","x-ray","0.71073","MoKα","","0.1795","0.0805","","","0.1354","0.1734","","","","","","1.018","","","","has coordinates,has disorder","267127","2021-07-05","17:11:49",""
"7242942","12.6676","0.0005","9.9541","0.0003","15.1783","0.0006","90","","108.164","0.004","90","","1818.53","0.12","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Dimethylamino-4,5-diphenylnaphthalene-8-carbaldehyde","","- C25 H21 N O -","- C25 H21 N O -","- C100 H84 N4 O4 -","4","1","","Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.","Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints","CrystEngComm","2021","23","25","4500","4512","10.1039/D1CE00377A","","x-ray","0.71073","MoKα","","0.0799","0.0721","","","0.1891","0.1953","","","","","","1.082","","","","has coordinates","267127","2021-07-05","17:11:49",""
"7242943","6.0395","0.0003","13.8019","0.0008","14.6137","0.0009","67.4","0.005","86.108","0.004","81.742","0.004","1112.84","0.12","150.01","0.1","150.01","0.1","","","","","","","","4","P -1","-P 1","2","","2-hydroxy-1,1-dimethyl-5,6-diphenyl-1,2-dihydrobenzo[cd]indol-1-ium monomalonate,","","- C28 H25 N O5 -","- C28 H25 N O5 -","- C56 H50 N2 O10 -","2","1","","Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.","Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints","CrystEngComm","2021","23","25","4500","4512","10.1039/D1CE00377A","","x-ray","0.71073","MoKα","","0.1127","0.0644","","","0.1326","0.1563","","","","","","1.038","","","","has coordinates","267127","2021-07-05","17:11:49",""
"7242944","6.1138","0.0003","11.1707","0.0005","33.835","0.0017","90","","90","","90","","2310.78","0.19","150.01","0.1","150.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-hydroxy-1,1-dimethyl-5,6-diphenyl-1,2-dihydrobenzo[cd]indol-1-ium chloride","","- C26 H24 Cl3 N O -","- C26 H24 Cl3 N O -","- C104 H96 Cl12 N4 O4 -","4","1","","Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.","Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints","CrystEngComm","2021","23","25","4500","4512","10.1039/D1CE00377A","","x-ray","0.71073","MoKα","","0.0918","0.0594","","","0.1074","0.1217","","","","","","1.023","","","","has coordinates","267127","2021-07-05","17:11:49",""
"7242949","10.269","0.005","16.787","0.008","20.919","0.008","90","","90","","90","","3606","3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H42 Cu2 N10 O5 Zn -","- C34 H42 Cu2 N10 O5 Zn -","- C136 H168 Cu8 N40 O20 Zn4 -","4","1","","Hazari, Alokesh; Gomila, Rosa M.; Frontera, Antonio; Drew, Michael G. B.; Ghosh, Ashutosh","Change in molecular shapes of the trinuclear CuII2ZnII complexes on Schiff base reduction: structural and theoretical investigations","CrystEngComm","2021","23","27","4848","4856","10.1039/D1CE00490E","","","0.71073","MoKα","","0.0533","0.0486","","","0.1272","0.1302","","","","","","1.121","","","","has coordinates","268645","2021-09-06","10:23:25",""
"7242950","19.337","0.008","20.605","0.008","21.248","0.009","90","","115.62","0.005","90","","7634","5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H88 Cu4 N20 O8 Zn2 -","- C72 H88 Cu4 N20 O8 Zn2 -","- C288 H352 Cu16 N80 O32 Zn8 -","4","1","","Hazari, Alokesh; Gomila, Rosa M.; Frontera, Antonio; Drew, Michael G. B.; Ghosh, Ashutosh","Change in molecular shapes of the trinuclear CuII2ZnII complexes on Schiff base reduction: structural and theoretical investigations","CrystEngComm","2021","23","27","4848","4856","10.1039/D1CE00490E","","","0.71073","MoKα","","0.0991","0.057","","","0.1469","0.182","","","","","","1.049","","","","has coordinates","268645","2021-09-06","10:23:25",""
"7242951","13.0155","0.0007","13.2744","0.0007","4.9013","0.0002","90","","90","","90","","846.81","0.07","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C13 H16 Cl2 N2 O8 -","- C13 H16 Cl2 N2 O8 -","- C26 H32 Cl4 N4 O16 -","2","0.5","","Han, Ding-Chong; Li, Yu-Kong; Liu, Yao; Tan, Yu-Hui; Tang, Yun-Zhi; Wei, Wen-Juan; Du, Peng-Kang; Zhang, Hao","Para‒ferroelectric phase transition induces an excellent second harmonic generation response and a prominent switchable dielectric constant change based on a metal-free ionic crystal","CrystEngComm","2021","23","31","5306","5313","10.1039/D1CE00680K","","","0.71073","MoKα","","0.0766","0.0657","","","0.197","0.212","","","","","","1.182","","","","has coordinates","268672","2021-09-06","10:29:18",""
"7242953","8.9676","0.0005","8.9772","0.0004","11.5304","0.0006","76.582","0.002","77.282","0.002","85.623","0.002","880.44","0.08","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylic acid","","- C22 H19 O4 -","- C22 H19 O4 -","- C44 H38 O8 -","2","1","","Barton, Benita; Senekal, Ulrich; Hosten, Eric C.","Comparing the host behaviour of roof-shaped compounds trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylic acid and its dimethyl ester in the presence of mixtures of xylene and ethylbenzene guests","CrystEngComm","2021","23","25","4560","4572","10.1039/D1CE00594D","","","0.71073","MoKα","","0.0483","0.038","","","0.0939","0.1005","","","","","","1.042","","","","has coordinates,has disorder","267124","2021-07-05","17:10:57",""
"7242954","21.1712","0.0015","15.3453","0.0008","11.4218","0.0008","90","","90","","90","","3710.7","0.4","200","2","200","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","dimethyl-trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylate 1,4-xylene","","- C22.67 H21.33 O4 -","- C22.6664 H21.333 O4 -","- C181.331 H170.664 O32 -","8","1","","Barton, Benita; Senekal, Ulrich; Hosten, Eric C.","Comparing the host behaviour of roof-shaped compounds trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylic acid and its dimethyl ester in the presence of mixtures of xylene and ethylbenzene guests","CrystEngComm","2021","23","25","4560","4572","10.1039/D1CE00594D","","","0.71073","MoKα","","0.0714","0.053","","","0.1441","0.1601","","","","","","1.022","","","","has coordinates,has disorder","267124","2021-07-05","17:10:57",""
"7242955","14.155","0.002","10.243","0.016","14.822","0.002","90","","114.922","0.015","90","","1949","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H27 Cu2 F6 N2 O6 -","- C45 H27 Cu2 F6 N2 O6 -","- C90 H54 Cu4 F12 N4 O12 -","2","0.5","","Mahesha,; Pampa, K. J.; Karthik, C. S.; Hema, M. K.; Mallu, P.; Lokanath, N. K.","Post-synthetic modification of supramolecular assemblies of β-diketonato Cu(ii) complexes: comparing and contrasting the molecular topology by crystal structure and quantum computational studies","CrystEngComm","2021","23","24","4344","4369","10.1039/D1CE00304F","","","0.71075","MoKα","","0.158","0.0891","","","0.2046","0.2562","","","","","","1.033","","","","has coordinates","267101","2021-07-05","17:04:27",""
"7242956","8.3115","0.0012","12.3766","0.0018","14.844","0.002","68.362","0.005","86.264","0.006","81.552","0.006","1403.9","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H22 Cu F6 O5 S -","- C30 H22 Cu F6 O5 S -","- C60 H44 Cu2 F12 O10 S2 -","2","1","","Mahesha,; Pampa, K. J.; Karthik, C. S.; Hema, M. K.; Mallu, P.; Lokanath, N. K.","Post-synthetic modification of supramolecular assemblies of β-diketonato Cu(ii) complexes: comparing and contrasting the molecular topology by crystal structure and quantum computational studies","CrystEngComm","2021","23","24","4344","4369","10.1039/D1CE00304F","","","0.71075","MoKα","","0.0928","0.0618","","","0.1359","0.1504","","","","","","1.004","","","","has coordinates","267101","2021-07-05","17:04:28",""
"7242957","11.688","0.002","15.619","0.003","12.799","0.003","90","","107.847","0.008","90","","2224.1","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H18 Cu F3 N O5 -","- C25 H18 Cu F3 N O5 -","- C100 H72 Cu4 F12 N4 O20 -","4","1","","Mahesha,; Pampa, K. J.; Karthik, C. S.; Hema, M. K.; Mallu, P.; Lokanath, N. K.","Post-synthetic modification of supramolecular assemblies of β-diketonato Cu(ii) complexes: comparing and contrasting the molecular topology by crystal structure and quantum computational studies","CrystEngComm","2021","23","24","4344","4369","10.1039/D1CE00304F","","","0.71073","MoKα","","0.0614","0.0464","","","0.1135","0.1233","","","","","","1.045","","","","has coordinates","267101","2021-07-05","17:04:28",""
"7242958","13.1512","0.0005","13.1512","0.0005","4.3773","0.0003","90","","90","","90","","757.07","0.07","293","2","293","2","","","","","","","","6","P -4 21 m","P -4 2ab","113","","","","- C10 H16 Ag N5 O3 S2 -","- C10 H16 Ag N5 O3 S2 -","- C20 H32 Ag2 N10 O6 S4 -","2","0.25","","Ristić, Predrag; Filipović, Nenad; Blagojević, Vladimir; Ćirković, Jovana; Holló, Berta Barta; Đokić, Veljko R.; Donnard, Morgan; Gulea, Mihaela; Marjanović, Ivana; Klisurić, Olivera R.; Todorović, Tamara R.","2D and 3D silver-based coordination polymers with thiomorpholine-4-carbonitrile and piperazine-1,4-dicarbonitrile: structure, intermolecular interactions, photocatalysis, and thermal behavior","CrystEngComm","2021","23","27","4799","4815","10.1039/D1CE00394A","","","0.71073","MoKα","","0.0373","0.0284","","","0.0532","0.058","","","","","","1.044","","","","has coordinates,has disorder","268643","2021-09-06","10:23:04",""
"7242959","13.1198","0.0003","13.1198","0.0003","4.686","0.0002","90","","90","","90","","806.6","0.04","293","2","293","2","","","","","","","","7","P -4 21 m","P -4 2ab","113","","","","- C10 H16 Ag Cl N4 O4 S2 -","- C10 H16 Ag Cl N4 O4 S2 -","- C20 H32 Ag2 Cl2 N8 O8 S4 -","2","0.25","","Ristić, Predrag; Filipović, Nenad; Blagojević, Vladimir; Ćirković, Jovana; Holló, Berta Barta; Đokić, Veljko R.; Donnard, Morgan; Gulea, Mihaela; Marjanović, Ivana; Klisurić, Olivera R.; Todorović, Tamara R.","2D and 3D silver-based coordination polymers with thiomorpholine-4-carbonitrile and piperazine-1,4-dicarbonitrile: structure, intermolecular interactions, photocatalysis, and thermal behavior","CrystEngComm","2021","23","27","4799","4815","10.1039/D1CE00394A","","","1.54184","CuKα","","0.0295","0.026","","","0.0639","0.0666","","","","","","1.038","","","","has coordinates","268643","2021-09-06","10:23:05",""
"7242960","12.6128","0.0003","13.1579","0.0003","16.1737","0.0003","90","","90","","90","","2684.15","0.1","293","2","293","2","","","","","","","","6","P n n n :2","-P 2ab 2bc","48","","","","- C18 H24 Ag1.5 Cl1.5 N12 O6 -","- C18 H24 Ag1.5 Cl1.5 N12 O6 -","- C72 H96 Ag6 Cl6 N48 O24 -","4","0.5","","Ristić, Predrag; Filipović, Nenad; Blagojević, Vladimir; Ćirković, Jovana; Holló, Berta Barta; Đokić, Veljko R.; Donnard, Morgan; Gulea, Mihaela; Marjanović, Ivana; Klisurić, Olivera R.; Todorović, Tamara R.","2D and 3D silver-based coordination polymers with thiomorpholine-4-carbonitrile and piperazine-1,4-dicarbonitrile: structure, intermolecular interactions, photocatalysis, and thermal behavior","CrystEngComm","2021","23","27","4799","4815","10.1039/D1CE00394A","","","1.54184","CuKα","","0.0369","0.0303","","","0.0864","0.0951","","","","","","1.052","","","","has coordinates","268643","2021-09-06","10:23:05",""
"7242961","6.6706","0.0004","10.5894","0.0009","13.5484","0.0011","91.104","0.007","99.965","0.005","103.416","0.006","915.1","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H18 Ag N9 O4 -","- C12 H18 Ag N9 O4 -","- C24 H36 Ag2 N18 O8 -","2","1","","Ristić, Predrag; Filipović, Nenad; Blagojević, Vladimir; Ćirković, Jovana; Holló, Berta Barta; Đokić, Veljko R.; Donnard, Morgan; Gulea, Mihaela; Marjanović, Ivana; Klisurić, Olivera R.; Todorović, Tamara R.","2D and 3D silver-based coordination polymers with thiomorpholine-4-carbonitrile and piperazine-1,4-dicarbonitrile: structure, intermolecular interactions, photocatalysis, and thermal behavior","CrystEngComm","2021","23","27","4799","4815","10.1039/D1CE00394A","","","0.71073","MoKα","","0.0528","0.0425","","","0.0978","0.1048","","","","","","1.096","","","","has coordinates","268643","2021-09-06","10:23:05",""
"7242971","10.7505","0.0004","10.132","0.0004","18.7022","0.0008","90","","103.122","0.004","90","","1983.93","0.14","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Amantadine ferulate isopropanol solvate","1-Adamantylammonium 3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid propan-2-ol","","- C21.5 H31 N O4.5 -","- C21.5 H31 N O4.5 -","- C86 H124 N4 O18 -","4","1","","Niu, Yuan-Yuan; Wang, Ling-Yang; Yu, Yue-Ming; Li, Yan-Tuan; Wu, Zhi-Yong; Yan, Cui-Wei","Molecular adduct of amantadine ferulate presents a pathway for slowing in vitro/vivo releases and raising synergistic antiviral effects via dual optimization salification strategy","CrystEngComm","2021","23","24","4389","4401","10.1039/D1CE00382H","","","1.54184","CuKα","","0.0456","0.0396","","","0.1001","0.1058","","","","","","1.029","","","","has coordinates,has disorder","267098","2021-07-05","17:03:56",""
"7242972","10.7535","0.0007","8.9587","0.0006","27.8995","0.0019","90","","96.321","0.001","90","","2671.4","0.3","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H19 N6 O6 -","- C33 H19 N6 O6 -","- C132 H76 N24 O24 -","4","1","","Wang, Chen; You, Zi Xin; Xing, Yong-Heng; Bai, Feng-Ying; Shi, Zhan","A three-dimensional supramolecular network structure through hydrogen bonding and π‒π interaction: synthesis, structure, and the fluorescence detection of balsalazide disodium","CrystEngComm","2021","23","27","4840","4847","10.1039/D1CE00373A","","","0.71073","MoKα","","0.1367","0.0578","","","0.1396","0.1774","","","","","","0.995","","","","has coordinates","268640","2021-09-06","10:22:20",""
"7242973","8.9598","0.0005","21.9155","0.0011","9.5862","0.0005","90","","116.711","0.001","90","","1681.46","0.15","293","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H7 I3 N O6 -","- C14 H7 I3 N O6 -","- C56 H28 I12 N4 O24 -","4","1","","Wang, Chen; You, Zi Xin; Xing, Yong-Heng; Bai, Feng-Ying; Shi, Zhan","A three-dimensional supramolecular network structure through hydrogen bonding and π‒π interaction: synthesis, structure, and the fluorescence detection of balsalazide disodium","CrystEngComm","2021","23","27","4840","4847","10.1039/D1CE00373A","","","0.71073","MoKα","","0.039","0.0341","","","0.0843","0.0866","","","","","","1.076","","","","has coordinates","268640","2021-09-06","10:22:20",""
"7242974","14.811","0.006","9.023","0.004","24.11","0.01","90","","106.673","0.007","90","","3087","2","293","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H8 I2 N O6 -","- C14 H8 I2 N O6 -","- C112 H64 I16 N8 O48 -","8","1","","Wang, Chen; You, Zi Xin; Xing, Yong-Heng; Bai, Feng-Ying; Shi, Zhan","A three-dimensional supramolecular network structure through hydrogen bonding and π‒π interaction: synthesis, structure, and the fluorescence detection of balsalazide disodium","CrystEngComm","2021","23","27","4840","4847","10.1039/D1CE00373A","","","0.71073","MoKα","","0.0637","0.0375","","","0.0799","0.0891","","","","","","1.03","","","","has coordinates","268640","2021-09-06","10:22:20",""
"7242975","11.7416","0.0007","12.0658","0.001","15.0919","0.001","113.393","0.007","98.517","0.005","103.527","0.006","1837","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","2,4-diamino-3,5,6-trifluorobenzonitrile‒18-crown-6 ether (4:3)","2,4-diamino-3,5,6-trifluorobenzonitrile‒18-crown-6 ether (4:3)","","- C64 H88 F12 N12 O18 -","- C64 H88 F12 N12 O18 -","- C64 H88 F12 N12 O18 -","1","0.5","","Vaganova, Tamara A.; Gatilov, Yurij V.; Malykhin, Sergey E.; Pishchur, Denis P.; Sukhov, Maxim; Zakharov, Boris A.; Boldyreva, Elena V.; Malykhin, Evgenij V.","Co-crystals of polyhalogenated diaminobenzonitriles with 18-crown-6: effect of fluorine on the stoichiometry and supramolecular structure","CrystEngComm","2021","23","27","4767","4781","10.1039/D1CE00530H","","","0.71073","MoKα","","0.0829","0.0392","","","0.0804","0.0894","","","","","","0.846","","","","has coordinates,has disorder","268641","2021-09-06","10:22:32",""
"7242976","7.664","0.006","10.486","0.008","15.09","0.009","74.09","0.019","87.76","0.03","69.95","0.02","1093.5","1.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","2,4-diamino-3,5-difluorobenzonitrile and 18-crown-6, 1:1 co-crystal","","- C19 H29 F2 N3 O6 -","- C19 H29 F2 N3 O6 -","- C38 H58 F4 N6 O12 -","2","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Malykhin, Sergey E.; Pishchur, Denis P.; Sukhov, Maxim; Zakharov, Boris A.; Boldyreva, Elena V.; Malykhin, Evgenij V.","Co-crystals of polyhalogenated diaminobenzonitriles with 18-crown-6: effect of fluorine on the stoichiometry and supramolecular structure","CrystEngComm","2021","23","27","4767","4781","10.1039/D1CE00530H","","","0.71073","MoKα","","0.1965","0.1455","","","0.4064","0.4386","","","","","","1.045","","","","has coordinates","268641","2021-09-06","10:22:35",""
"7242977","13.4328","0.0006","16.8984","0.0008","9.2577","0.0004","90","","96.591","0.002","90","","2087.54","0.16","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2,6-diamino-3,5-difluorobenzonitrile and 18-crown-6, 1:1 co-crystal","","- C19 H29 F2 N3 O6 -","- C19 H29 F2 N3 O6 -","- C76 H116 F8 N12 O24 -","4","0.5","","Vaganova, Tamara A.; Gatilov, Yurij V.; Malykhin, Sergey E.; Pishchur, Denis P.; Sukhov, Maxim; Zakharov, Boris A.; Boldyreva, Elena V.; Malykhin, Evgenij V.","Co-crystals of polyhalogenated diaminobenzonitriles with 18-crown-6: effect of fluorine on the stoichiometry and supramolecular structure","CrystEngComm","2021","23","27","4767","4781","10.1039/D1CE00530H","","","0.71073","MoKα","","0.0499","0.0348","","","0.0999","0.1138","","","","","","0.987","","","","has coordinates","268641","2021-09-06","10:22:41",""
"7242978","9.295","0.005","14.527","0.005","11.722","0.005","90","","109.33","0.06","90","","1493.6","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2,4-diamino-3,5,6-trifluorobenzonitrile‒18-crown-6 ether (2:1)","2,4-diamino-3,5,6-trifluorobenzonitrile‒18-crown-6 ether (2:1)","","- C26 H32 F6 N6 O6 -","- C26 F6 N6 O6 -","- C52 F12 N12 O12 -","2","0.5","","Vaganova, Tamara A.; Gatilov, Yurij V.; Malykhin, Sergey E.; Pishchur, Denis P.; Sukhov, Maxim; Zakharov, Boris A.; Boldyreva, Elena V.; Malykhin, Evgenij V.","Co-crystals of polyhalogenated diaminobenzonitriles with 18-crown-6: effect of fluorine on the stoichiometry and supramolecular structure","CrystEngComm","2021","23","27","4767","4781","10.1039/D1CE00530H","","","1.54184","CuKα","","0.4752","0.4081","","","0.7372","0.7727","","","","","","2.392","","","","has coordinates","268641","2021-09-06","10:22:41",""
"7242979","13.9801","0.0016","15.5918","0.0017","3.6651","0.0004","90","","90","","90","","798.9","0.15","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2,4-diamino-3,5,6-trifluorobenzonitrile hydrate","","- C7 H4 F3 N3 O0.5 -","- C7 H4 F3 N3 O0.5 -","- C28 H16 F12 N12 O2 -","4","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Malykhin, Sergey E.; Pishchur, Denis P.; Sukhov, Maxim; Zakharov, Boris A.; Boldyreva, Elena V.; Malykhin, Evgenij V.","Co-crystals of polyhalogenated diaminobenzonitriles with 18-crown-6: effect of fluorine on the stoichiometry and supramolecular structure","CrystEngComm","2021","23","27","4767","4781","10.1039/D1CE00530H","","","0.71073","MoKα","","0.0608","0.0455","","","0.1384","0.1564","","","","","","1.009","","","","has coordinates","268641","2021-09-06","10:22:41",""
"7242980","27.0089","0.0013","10.124","0.0005","17.2092","0.0007","90","","97.123","0.002","90","","4669.3","0.4","299","2","299","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2,6-diamino-4-chloro-3-fluorobenzonitrile and 18-crown-6, 1:1 co-crystal","","- C19 H29 Cl F N3 O6 -","- C19 H29 Cl F N3 O6 -","- C152 H232 Cl8 F8 N24 O48 -","8","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Malykhin, Sergey E.; Pishchur, Denis P.; Sukhov, Maxim; Zakharov, Boris A.; Boldyreva, Elena V.; Malykhin, Evgenij V.","Co-crystals of polyhalogenated diaminobenzonitriles with 18-crown-6: effect of fluorine on the stoichiometry and supramolecular structure","CrystEngComm","2021","23","27","4767","4781","10.1039/D1CE00530H","","","0.71073","MoKα","","0.118","0.0815","","","0.2553","0.2998","","","","","","0.953","","","","has coordinates,has disorder","268641","2021-09-06","10:22:41",""
"7242981","7.1619","0.0005","7.5769","0.0006","7.6716","0.0005","107.27","0.004","100.818","0.003","107.844","0.003","360.19","0.05","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","2,4-diamino-3,5-difluorobenzonitrile","","- C7 H5 F2 N3 -","- C7 H5 F2 N3 -","- C14 H10 F4 N6 -","2","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Malykhin, Sergey E.; Pishchur, Denis P.; Sukhov, Maxim; Zakharov, Boris A.; Boldyreva, Elena V.; Malykhin, Evgenij V.","Co-crystals of polyhalogenated diaminobenzonitriles with 18-crown-6: effect of fluorine on the stoichiometry and supramolecular structure","CrystEngComm","2021","23","27","4767","4781","10.1039/D1CE00530H","","","0.71073","MoKα","","0.0609","0.0448","","","0.1338","0.1506","","","","","","1.087","","","","has coordinates","268641","2021-09-06","10:22:41",""
"7242982","7.3003","0.0011","9.7706","0.0014","16.622","0.002","89.928","0.005","89.964","0.005","75.875","0.004","1149.8","0.3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","2,6-diamino-4-chloro-3,5-difluorobenzonitrile and 18-crown-6, 1:1 co-crystal","","- C19 H28 Cl F2 N3 O6 -","- C19 H28 Cl F2 N3 O6 -","- C38 H56 Cl2 F4 N6 O12 -","2","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Malykhin, Sergey E.; Pishchur, Denis P.; Sukhov, Maxim; Zakharov, Boris A.; Boldyreva, Elena V.; Malykhin, Evgenij V.","Co-crystals of polyhalogenated diaminobenzonitriles with 18-crown-6: effect of fluorine on the stoichiometry and supramolecular structure","CrystEngComm","2021","23","27","4767","4781","10.1039/D1CE00530H","","","0.71073","MoKα","","0.0463","0.0355","","","0.078","0.0843","","","","","","0.972","","","","has coordinates","268641","2021-09-06","10:22:41",""
"7242983","6.1089","0.0002","9.6567","0.0005","15.8773","0.0006","87.008","0.004","88.263","0.003","88.159","0.003","934.49","0.07","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 Cl2 N2 O2 -","- C21 H16 Cl2 N2 O2 -","- C42 H32 Cl4 N4 O4 -","2","1","","Kikuchi, Yusuke; Matsumoto, Shinya","Chlorinated diketopyrrolopyrrole dye exhibits a three-step polymorphic transition with thermosalient effects","CrystEngComm","2021","23","34","5882","5890","10.1039/D1CE00454A","","x-ray","1.54184","CuKα","","0.0659","0.0555","","","0.1551","0.1754","","","","","","1.011","","","","has coordinates","268684","2021-09-06","10:31:48",""
"7242984","7.5775","0.0009","7.9456","0.0008","16.2096","0.0013","103.927","0.008","96.226","0.008","104.186","0.01","903.71","0.17","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 Cl2 N2 O2 -","- C21 H16 Cl2 N2 O2 -","- C42 H32 Cl4 N4 O4 -","2","1","","Kikuchi, Yusuke; Matsumoto, Shinya","Chlorinated diketopyrrolopyrrole dye exhibits a three-step polymorphic transition with thermosalient effects","CrystEngComm","2021","23","34","5882","5890","10.1039/D1CE00454A","","x-ray","0.71073","MoKα","","0.1124","0.0547","","","0.1284","0.1571","","","","","","0.998","","","","has coordinates","268684","2021-09-06","10:31:48",""
"7242985","10.0941","0.0002","10.1582","0.0002","10.8283","0.0003","63.183","0.002","70.379","0.002","80.704","0.002","933.3","0.04","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 Cl2 N2 O2 -","- C21 H16 Cl2 N2 O2 -","- C42 H32 Cl4 N4 O4 -","2","1","","Kikuchi, Yusuke; Matsumoto, Shinya","Chlorinated diketopyrrolopyrrole dye exhibits a three-step polymorphic transition with thermosalient effects","CrystEngComm","2021","23","34","5882","5890","10.1039/D1CE00454A","","x-ray","1.54184","CuKα","","0.0466","0.042","","","0.1241","0.1289","","","","","","1.073","","","","has coordinates","268684","2021-09-06","10:31:48",""
"7242986","10.0975","0.0003","10.1452","0.0004","10.8422","0.0005","63.157","0.004","70.317","0.003","80.642","0.003","933.03","0.07","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 Cl2 N2 O2 -","- C21 H16 Cl2 N2 O2 -","- C42 H32 Cl4 N4 O4 -","2","1","","Kikuchi, Yusuke; Matsumoto, Shinya","Chlorinated diketopyrrolopyrrole dye exhibits a three-step polymorphic transition with thermosalient effects","CrystEngComm","2021","23","34","5882","5890","10.1039/D1CE00454A","","x-ray","1.54184","CuKα","","0.0556","0.0452","","","0.1278","0.1359","","","","","","1.082","","","","has coordinates","268684","2021-09-06","10:31:48",""
"7242987","11.7117","0.0014","12.099","0.0013","11.7979","0.0013","90","","103.17","0.012","90","","1627.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H8 Co1.2 Ni1.8 O10 -","- C16 H8 Co1.2 Ni1.8 O10 -","- C64 H32 Co4.8 Ni7.2 O40 -","4","1","","Yu, Bin-Bin; Hua, Yi-Wei; Huang, Qi; Ye, Si-Yuan; Zhang, Hao-Dong; Yan, Zheng; Li, Rui-Wen; Wu, Jun; Meng, Yan; Cao, Xuebo","Two-dimensional stable and ultrathin cluster-based metal‒organic layers for efficient electrocatalytic water oxidation","CrystEngComm","2021","23","26","4700","4707","10.1039/D1CE00350J","","x-ray","1.54184","CuKα","","0.1264","0.0866","","","0.2141","0.255","","","","","","1.001","","","","has coordinates,has disorder","268661","2021-09-06","10:26:32",""
"7242988","9.4088","0.0007","12.5525","0.0009","15.2532","0.0011","71.5265","0.0015","77.3805","0.0015","71.2592","0.0015","1604.3","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H31 Br2 N O2 -","- C37 H31 Br2 N O2 -","- C74 H62 Br4 N2 O4 -","2","1","","García-González, Ma. Carmen; Navarro-Huerta, Armando; Rodríguez-Muñoz, Fanny Chantal; Vera-Alvízar, Estefanía Guadalupe; Vera Ramírez, Marco A.; Rodríguez-Hernández, Joelis; Rodríguez, Mario; Rodríguez-Molina, Braulio","The design of dihalogenated TPE monoboronate complexes as mechanofluorochromic crystals","CrystEngComm","2021","23","34","5908","5917","10.1039/D1CE00442E","","","0.71073","MoKα","","0.0576","0.0489","","","0.1378","0.1451","","","","","","1.044","","","","has coordinates,has disorder","268683","2021-09-06","10:31:40",""
"7242989","10.864","0.004","12.004","0.004","14.739","0.005","99.378","0.01","91.705","0.01","91.595","0.01","1894.6","1.1","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H32 B I2 N O -","- C45 H32 B I2 N O -","- C90 H64 B2 I4 N2 O2 -","2","1","","García-González, Ma. Carmen; Navarro-Huerta, Armando; Rodríguez-Muñoz, Fanny Chantal; Vera-Alvízar, Estefanía Guadalupe; Vera Ramírez, Marco A.; Rodríguez-Hernández, Joelis; Rodríguez, Mario; Rodríguez-Molina, Braulio","The design of dihalogenated TPE monoboronate complexes as mechanofluorochromic crystals","CrystEngComm","2021","23","34","5908","5917","10.1039/D1CE00442E","","","0.71073","MoKα","","0.1126","0.0557","","","0.1352","0.1629","","","","","","1.024","","","","has coordinates","268683","2021-09-06","10:31:41",""
"7242990","6.0896","0.0004","9.3799","0.0006","24.4891","0.0015","84.352","0.002","86.909","0.002","87.232","0.002","1388.7","0.15","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H22 B Cl2 F2 N O -","- C33 H22 B Cl2 F2 N O -","- C66 H44 B2 Cl4 F4 N2 O2 -","2","1","","García-González, Ma. Carmen; Navarro-Huerta, Armando; Rodríguez-Muñoz, Fanny Chantal; Vera-Alvízar, Estefanía Guadalupe; Vera Ramírez, Marco A.; Rodríguez-Hernández, Joelis; Rodríguez, Mario; Rodríguez-Molina, Braulio","The design of dihalogenated TPE monoboronate complexes as mechanofluorochromic crystals","CrystEngComm","2021","23","34","5908","5917","10.1039/D1CE00442E","","","0.71073","MoKα","","0.1301","0.0613","","","0.1016","0.1212","","","","","","1.018","","","","has coordinates","268683","2021-09-06","10:31:41",""
"7242991","6.2357","0.0003","9.7731","0.0004","24.6541","0.001","79.707","0.001","88.857","0.002","85.753","0.002","1474.2","0.11","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H22 B F2 I2 N O -","- C33 H22 B F2 I2 N O -","- C66 H44 B2 F4 I4 N2 O2 -","2","1","","García-González, Ma. Carmen; Navarro-Huerta, Armando; Rodríguez-Muñoz, Fanny Chantal; Vera-Alvízar, Estefanía Guadalupe; Vera Ramírez, Marco A.; Rodríguez-Hernández, Joelis; Rodríguez, Mario; Rodríguez-Molina, Braulio","The design of dihalogenated TPE monoboronate complexes as mechanofluorochromic crystals","CrystEngComm","2021","23","34","5908","5917","10.1039/D1CE00442E","","","0.7288","synchrotron","","0.0343","0.0305","","","0.0604","0.0634","","","","","","1.151","","","","has coordinates","268683","2021-09-06","10:31:41",""
"7242992","9.33","0.003","12.726","0.003","15.427","0.003","72.271","0.01","76.816","0.012","70.156","0.01","1625.1","0.7","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H29 I2 N O2 -","- C36 H29 I2 N O2 -","- C72 H58 I4 N2 O4 -","2","1","","García-González, Ma. Carmen; Navarro-Huerta, Armando; Rodríguez-Muñoz, Fanny Chantal; Vera-Alvízar, Estefanía Guadalupe; Vera Ramírez, Marco A.; Rodríguez-Hernández, Joelis; Rodríguez, Mario; Rodríguez-Molina, Braulio","The design of dihalogenated TPE monoboronate complexes as mechanofluorochromic crystals","CrystEngComm","2021","23","34","5908","5917","10.1039/D1CE00442E","","","1.54178","CuKα","","0.0664","0.0495","","","0.1183","0.1304","","","","","","1.044","","","","has coordinates","268683","2021-09-06","10:31:41",""
"7242993","15.498","0.002","7.0467","0.001","9.0692","0.0015","90","","104.821","0.016","90","","957.5","0.3","190","0.1","190","0.1","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- C11 H9 N3 -","- C11 H9 N3 -","- C44 H36 N12 -","4","0.5","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","x-ray","0.71073","MoKα","","0.0974","0.0784","","","0.1941","0.2021","","","","","","1.142","","","","has coordinates,has disorder","267120","2021-07-05","17:10:10",""
"7242994","15.5861","0.0009","7.0608","0.0004","9.0691","0.0006","90","","105.198","0.007","90","","963.15","0.11","210.05","0.1","210.05","0.1","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- C11 H9 N3 -","- C11 H9 N3 -","- C44 H36 N12 -","4","0.5","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","x-ray","0.71073","MoKα","","0.0484","0.0385","","","0.1083","0.1145","","","","","","1.08","","","","has coordinates,has disorder","267120","2021-07-05","17:10:11",""
"7242995","15.6639","0.0012","7.0936","0.0006","9.0904","0.0009","90","","105.663","0.009","90","","972.56","0.15","250.05","0.1","250.05","0.1","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- C11 H9 N3 -","- C11 H9 N3 -","- C44 H36 N12 -","4","0.5","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","x-ray","0.71073","MoKα","","0.0506","0.0369","","","0.1034","0.1118","","","","","","1.037","","","","has coordinates,has disorder","267120","2021-07-05","17:10:11",""
"7242996","15.6931","0.0011","7.111","0.0005","9.0908","0.0008","90","","105.856","0.008","90","","975.88","0.14","270.06","0.1","270.06","0.1","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- C11 H9 N3 -","- C11 H9 N3 -","- C44 H36 N12 -","4","0.5","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","x-ray","0.71073","MoKα","","0.0528","0.0375","","","0.1057","0.1151","","","","","","1.038","","","","has coordinates,has disorder","267120","2021-07-05","17:10:11",""
"7242997","15.6264","0.0011","7.0823","0.0005","9.0843","0.0007","90","","105.399","0.008","90","","969.27","0.13","230.06","0.1","230.06","0.1","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- C11 H9 N3 -","- C11 H9 N3 -","- C44 H36 N12 -","4","0.5","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","x-ray","0.71073","MoKα","","0.0482","0.037","","","0.1056","0.1129","","","","","","1.033","","","","has coordinates,has disorder","267120","2021-07-05","17:10:11",""
"7242998","15.7226","0.0013","7.1311","0.0006","9.0875","0.001","90","","106.081","0.01","90","","979.02","0.17","290.06","0.11","290.06","0.11","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- C11 H9 N3 -","- C11 H9 N3 -","- C44 H36 N12 -","4","0.5","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","x-ray","0.71073","MoKα","","0.0565","0.0375","","","0.1061","0.1174","","","","","","1.026","","","","has coordinates,has disorder","267120","2021-07-05","17:10:11",""
"7242999","5.6685","0.00005","7.45207","0.00006","23.56855","0.00019","90","","90","","90","","995.584","0.014","190","2","189.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.0296","0.0289","","","0.0794","0.08","","","","","","1.08","","","","has coordinates","267120","2021-07-05","17:10:11",""
"7243000","5.7302","0.001","7.415","0.0011","23.579","0.003","90","","90","","90","","1001.9","0.3","230","2","229.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.0672","0.0599","","","0.1639","0.1743","","","","","","1.078","","","","has coordinates","267120","2021-07-05","17:10:11",""
"7243001","5.67404","0.00005","7.47072","0.00006","23.5754","0.0002","90","","90","","90","","999.341","0.015","210","2","209.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.0317","0.0306","","","0.0828","0.0838","","","","","","1.072","","","","has coordinates","267120","2021-07-05","17:10:11",""
"7243002","5.8323","0.0008","7.3764","0.0007","23.496","0.003","90","","90","","90","","1010.8","0.2","230","2","229.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.1002","0.0825","","","0.2012","0.2313","","","","","","1.046","","","","has coordinates","267120","2021-07-05","17:10:11",""
"7243003","5.86556","0.00007","7.46244","0.00009","23.3965","0.0003","90","","90","","90","","1024.1","0.02","290","2","290.35","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.0371","0.0332","","","0.0928","0.0962","","","","","","1.053","","","","has coordinates,has disorder","267120","2021-07-05","17:10:11",""
"7243004","5.85572","0.00006","7.39661","0.00007","23.4514","0.0002","90","","90","","90","","1015.74","0.017","250","2","249.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.0309","0.0294","","","0.0786","0.0799","","","","","","1.046","","","","has coordinates,has disorder","267120","2021-07-05","17:10:11",""
"7243005","5.8614","0.00006","7.42624","0.00008","23.428","0.0003","90","","90","","90","","1019.78","0.02","270","2","269.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.033","0.0305","","","0.0817","0.0842","","","","","","1.049","","","","has coordinates,has disorder","267120","2021-07-05","17:10:11",""
"7243006","5.8501","0.00006","7.36978","0.00007","23.4676","0.0002","90","","90","","90","","1011.78","0.017","230","2","229.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.0297","0.0282","","","0.075","0.0764","","","","","","1.053","","","","has coordinates,has disorder","267120","2021-07-05","17:10:11",""
"7243007","5.85038","0.00008","7.371","0.00011","23.4704","0.0003","90","","90","","90","","1012.12","0.02","230","2","229.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.0284","0.0273","","","0.0728","0.0737","","","","","","1.082","","","","has coordinates,has disorder","267120","2021-07-05","17:10:11",""
"7243008","5.83741","0.00005","7.3243","0.00006","23.48978","0.00019","90","","90","","90","","1004.3","0.014","190","2","189.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.0283","0.0274","","","0.072","0.0727","","","","","","1.061","","","","has coordinates","267120","2021-07-05","17:10:11",""
"7243009","5.8556","0.0005","7.4394","0.0006","23.4466","0.0018","90","","90","","90","","1021.38","0.14","270","2","269.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.0356","0.0319","","","0.087","0.089","","","","","","1.051","","","","has coordinates,has disorder","267120","2021-07-05","17:10:11",""
"7243010","5.82153","0.00008","7.2732","0.00013","23.5087","0.0003","90","","90","","90","","995.39","0.03","130","2","129.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.0289","0.0279","","","0.0752","0.076","","","","","","1.072","","","","has coordinates","267120","2021-07-05","17:10:11",""
"7243011","5.84375","0.00005","7.34622","0.00006","23.48048","0.0002","90","","90","","90","","1008.01","0.015","210","2","209.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.0289","0.0279","","","0.0734","0.0742","","","","","","1.073","","","","has coordinates","267120","2021-07-05","17:10:11",""
"7243012","5.7261","0.0001","7.5472","0.0001","23.5464","0.0004","90","","90","","90","","1017.58","0.03","290","2","289.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 N6 -","- C24 H22 N6 -","- C48 H44 N12 -","2","0.5","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.0346","0.0311","","","0.0859","0.0887","","","","","","1.056","","","","has coordinates,has disorder","267120","2021-07-05","17:10:11",""
"7243013","5.81332","0.00008","7.24959","0.00014","23.5153","0.0004","90","","90","","90","","991.03","0.03","100","2","99.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.0325","0.0314","","","0.0859","0.0869","","","","","","1.076","","","","has coordinates","267120","2021-07-05","17:10:11",""
"7243014","5.83819","0.00007","7.32399","0.00009","23.4915","0.0003","90","","90","","90","","1004.47","0.02","190","2","189.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.0267","0.0258","","","0.0674","0.0679","","","","","","1.047","","","","has coordinates","267120","2021-07-05","17:10:11",""
"7243015","5.86137","0.00006","7.42616","0.00008","23.4265","0.0003","90","","90","","90","","1019.7","0.02","270","2","269.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.033","0.0305","","","0.0836","0.0861","","","","","","1.043","","","","has coordinates,has disorder","267120","2021-07-05","17:10:11",""
"7243016","5.84449","0.00008","7.34651","0.0001","23.4842","0.0003","90","","90","","90","","1008.33","0.02","210","2","209.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.0281","0.0269","","","0.0692","0.07","","","","","","1.055","","","","has coordinates","267120","2021-07-05","17:10:11",""
"7243017","5.85593","0.00008","7.39741","0.00011","23.4532","0.0003","90","","90","","90","","1015.96","0.02","250","2","249.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.0292","0.0274","","","0.0718","0.0732","","","","","","1.081","","","","has coordinates,has disorder","267120","2021-07-05","17:10:11",""
"7243018","5.83221","0.00008","7.30484","0.00011","23.5004","0.0003","90","","90","","90","","1001.2","0.02","170","2","169.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.028","0.027","","","0.0686","0.0693","","","","","","1.083","","","","has coordinates","267120","2021-07-05","17:10:11",""
"7243019","5.85561","0.00006","7.3967","0.00007","23.4494","0.0002","90","","90","","90","","1015.65","0.017","250","2","249.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.0316","0.0299","","","0.0818","0.0834","","","","","","1.058","","","","has coordinates,has disorder","267120","2021-07-05","17:10:11",""
"7243020","5.82676","0.00008","7.28832","0.00012","23.5058","0.0003","90","","90","","90","","998.23","0.02","150","2","149.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.0279","0.027","","","0.0702","0.0708","","","","","","1.066","","","","has coordinates","267120","2021-07-05","17:10:11",""
"7243021","8.8064","0.0014","26.14","0.004","8.8642","0.0015","90","","94.291","0.005","90","","2034.8","0.6","273","2","273","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H24 Cl4 Cu2 N4 O18 S2 -","- C32 H24 Cl4 Cu2 N4 O18 S2 -","- C64 H48 Cl8 Cu4 N8 O36 S4 -","2","0.5","","Thakur, Snehasish; Gomila, Rosa M.; Frontera, Antonio; Chattopadhyay, Shouvik","A theoretical insight into the formation of chalcogen bonding (ChB) interactions involving coordinated DMSO molecules as σ-hole donors and benzoate groups as σ-hole acceptors in a dinuclear copper(ii) complex","CrystEngComm","2021","23","29","5087","5096","10.1039/D1CE00624J","","","0.71073","MoKα","","0.0478","0.0431","","","0.1254","0.1303","","","","","","0.925","","","","has coordinates","268633","2021-09-06","10:18:59",""
"7243022","7.3163","0.0002","12.5322","0.0004","22.0934","0.0003","99.217","0.002","97.693","0.002","94.038","0.002","1972.82","0.09","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C10.33 H7.33 Cl4 N2 O0.33 Pt -","- C10.3333 H7.33333 Cl4 N2 O0.333333 Pt -","- C62 H44 Cl24 N12 O2 Pt6 -","6","3","","Yoshida, Masaki; Makino, Yusuke; Sasaki, Toshiyuki; Sakamoto, Shunichi; Takamizawa, Satoshi; Kobayashi, Atsushi; Kato, Masako","Elastic deformability and luminescence of crystals of polyhalogenated platinum(ii)‒bipyridine complexes","CrystEngComm","2021","23","34","5891","5898","10.1039/D1CE00459J","","x-ray","1.54184","CuKα","","0.0402","0.0337","","","0.0991","0.105","","","","","","1.065","","","","has coordinates","268686","2021-09-06","10:32:05",""
"7243023","4.205","0.0001","15.1349","0.0004","11.8849","0.0004","90","","92.547","0.003","90","","755.63","0.04","150","","150","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C12 H9 Cl4 N3 Pt -","- C12 H9 Cl4 N3 Pt -","- C24 H18 Cl8 N6 Pt2 -","2","0.5","","Yoshida, Masaki; Makino, Yusuke; Sasaki, Toshiyuki; Sakamoto, Shunichi; Takamizawa, Satoshi; Kobayashi, Atsushi; Kato, Masako","Elastic deformability and luminescence of crystals of polyhalogenated platinum(ii)‒bipyridine complexes","CrystEngComm","2021","23","34","5891","5898","10.1039/D1CE00459J","","x-ray","1.54184","CuKα","","0.0635","0.0605","","","0.1702","0.1723","","","","","","1.093","","","","has coordinates,has disorder","268686","2021-09-06","10:32:05",""
"7243024","17.5085","0.0002","6.8605","0.0001","14.2988","0.0002","90","","94.738","0.001","90","","1711.66","0.04","150","","150","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C13 H12 Br2 Cl2 N2 O Pt -","- C13 H12 Br2 Cl2 N2 O Pt -","- C52 H48 Br8 Cl8 N8 O4 Pt4 -","4","0.5","","Yoshida, Masaki; Makino, Yusuke; Sasaki, Toshiyuki; Sakamoto, Shunichi; Takamizawa, Satoshi; Kobayashi, Atsushi; Kato, Masako","Elastic deformability and luminescence of crystals of polyhalogenated platinum(ii)‒bipyridine complexes","CrystEngComm","2021","23","34","5891","5898","10.1039/D1CE00459J","","x-ray","1.54184","CuKα","","0.0407","0.0393","","","0.1079","0.1093","","","","","","1.075","","","","has coordinates,has disorder","268686","2021-09-06","10:32:05",""
"7243025","17.3962","0.0004","6.7242","0.0001","14.1075","0.0003","90","","93.761","0.002","90","","1646.68","0.06","150","","150","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C13 H12 Cl4 N2 O Pt -","- C13 H12 Cl4 N2 O Pt -","- C52 H48 Cl16 N8 O4 Pt4 -","4","0.5","","Yoshida, Masaki; Makino, Yusuke; Sasaki, Toshiyuki; Sakamoto, Shunichi; Takamizawa, Satoshi; Kobayashi, Atsushi; Kato, Masako","Elastic deformability and luminescence of crystals of polyhalogenated platinum(ii)‒bipyridine complexes","CrystEngComm","2021","23","34","5891","5898","10.1039/D1CE00459J","","x-ray","1.54184","CuKα","","0.0301","0.0295","","","0.0816","0.0822","","","","","","1.125","","","","has coordinates,has disorder","268686","2021-09-06","10:32:05",""
"7243026","7.4532","0.0001","12.7323","0.0002","22.1827","0.0003","99.629","0.001","98.186","0.001","94.794","0.001","2041.78","0.05","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C10.33 H7.33 Br2 Cl2 N2 O0.33 Pt -","- C10.3333 H7.33333 Br2 Cl2 N2 O0.333333 Pt -","- C62 H44 Br12 Cl12 N12 O2 Pt6 -","6","3","","Yoshida, Masaki; Makino, Yusuke; Sasaki, Toshiyuki; Sakamoto, Shunichi; Takamizawa, Satoshi; Kobayashi, Atsushi; Kato, Masako","Elastic deformability and luminescence of crystals of polyhalogenated platinum(ii)‒bipyridine complexes","CrystEngComm","2021","23","34","5891","5898","10.1039/D1CE00459J","","x-ray","1.54184","CuKα","","0.0463","0.0395","","","0.1032","0.1086","","","","","","1.097","","","","has coordinates","268686","2021-09-06","10:32:05",""
"7243027","27.5455","0.0002","27.5455","0.0002","27.5455","0.0002","90","","90","","90","","20900.3","0.3","243.01","0.1","243.01","0.1","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C44 H38 N40 O25 Zn8 -","- C5.5 H4.5 N5 O3.125 Zn -","- C132 H108 N120 O75 Zn24 -","24","0.5","","Talha, Khalid; Alamgir,; Ahmed, Naeem; Xie, Lin-Hua; Zhang, Xin; Li, Jian-Rong","Construction of a zeolite A-type multivariate metal‒organic framework for selective sensing of Fe3+ and Cr2O72−","CrystEngComm","2021","23","28","4923","4929","10.1039/D1CE00610J","","x-ray","1.54178","CuKα","","0.1234","0.0976","","","0.303","0.3537","","","","","","1.095","","","","has coordinates","268636","2021-09-06","10:20:38",""
"7243028","11.749","0.003","8.961","0.002","25.585","0.006","90","","101.49","0.03","90","","2639.7","1.1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H23 Cl2 N5 O2 Zn -","- C25 H23 Cl2 N5 O2 Zn -","- C100 H92 Cl8 N20 O8 Zn4 -","4","0.5","","Wang, Yanru; Wang, Ani; Pan, Jie; Xue, Zhenzhen; Li, Jinhua; Wang, Guoming","Metal‒organic complex-derived 3D porous carbon-supported g-C3N4/TiO2 as photocatalysts for the efficient degradation of antibiotic","CrystEngComm","2021","23","26","4717","4723","10.1039/D1CE00709B","","","0.71073","MoKα","","0.0474","0.0366","","","0.0885","0.0953","","","","","","1.06","","","","has coordinates","268660","2021-09-06","10:26:26",""
"7243029","12.6615","0.0007","4.8528","0.0002","39.0056","0.0017","90","","98.502","0.004","90","","2370.31","0.19","105","2","105","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H16 F6 N2 S -","- C29 H16 F6 N2 S -","- C116 H64 F24 N8 S4 -","4","1","","Kumar, Avulu Vinod; Rohullah, Mehdi; Ravi, Jada; Godumala, Mallesham; Annadhasan, Mari; Chandrasekar, Rajadurai","Mechanophotonic aspects of a room temperature phosphorescent flexible organic microcrystal","CrystEngComm","2021","23","34","5774","5779","10.1039/D1CE00475A","","x-ray","0.71073","MoKα","","0.2165","0.0903","","","0.1965","0.3128","","","","","","1.027","","","","has coordinates,has disorder","268685","2021-09-06","10:31:55",""
"7243030","7.165","0.0004","12.9313","0.0008","13.5","0.0008","90","","90.8316","0.0018","90","","1250.68","0.13","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 Cl Cu N2 S2 -","- C11 H10 Cl Cu N2 S2 -","- C44 H40 Cl4 Cu4 N8 S8 -","4","1","","Gómez-Paz, Olaya; Carballo, Rosa; Lago, Ana B.; Vázquez-López, Ezequiel M.","Polymorphism in a two-dimensional copper(i) metal‒organic framework with the ligand bis(4-pyridylthio)methane","CrystEngComm","2021","23","26","4658","4666","10.1039/D1CE00461A","","","0.71073","MoKα","","0.0289","0.0228","","","0.0499","0.0519","","","","","","1.058","","","","has coordinates","268659","2021-09-06","10:26:20",""
"7243031","3.8383","0.0002","22.1816","0.0009","14.0252","0.0006","90","","90","","90","","1194.1","0.09","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C11 H10 Cl Cu N2 S2 -","- C11 H10 Cl Cu N2 S2 -","- C44 H40 Cl4 Cu4 N8 S8 -","4","0.5","","Gómez-Paz, Olaya; Carballo, Rosa; Lago, Ana B.; Vázquez-López, Ezequiel M.","Polymorphism in a two-dimensional copper(i) metal‒organic framework with the ligand bis(4-pyridylthio)methane","CrystEngComm","2021","23","26","4658","4666","10.1039/D1CE00461A","","","0.71073","MoKα","","0.0286","0.0236","","","0.0511","0.0528","","","","","","1.106","","","","has coordinates","268659","2021-09-06","10:26:20",""
"7243032","13.0329","0.0007","12.4106","0.0006","14.8895","0.0008","90","","92.525","0.002","90","","2406","0.2","276","2","276","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C11 H9 Cl Cu N2 S2 -","- C11 H9 Cl Cu N2 S2 -","- C88 H72 Cl8 Cu8 N16 S16 -","8","1","","Gómez-Paz, Olaya; Carballo, Rosa; Lago, Ana B.; Vázquez-López, Ezequiel M.","Polymorphism in a two-dimensional copper(i) metal‒organic framework with the ligand bis(4-pyridylthio)methane","CrystEngComm","2021","23","26","4658","4666","10.1039/D1CE00461A","","","0.71073","MoKα","","0.0413","0.0296","","","0.071","0.0781","","","","","","0.785","","","","has coordinates","268659","2021-09-06","10:26:20",""
"7243039","10.49993","0.00015","11.00975","0.00013","12.68737","0.00015","112.81","0.0011","91.4574","0.0011","109.916","0.0012","1249.96","0.03","223","","223","","","","","","","","","4","P -1","-P 1","2","","","","- C31 H20 N4 S2 -","- C31 H20 N4 S2 -","- C62 H40 N8 S4 -","2","1","","Ito, Suguru; Nagai, Sayaka; Ubukata, Takashi; Tachikawa, Takashi","Multi-color mechanochromic luminescence of three polymorphic crystals of a donor‒acceptor-type benzothiadiazole derivative","CrystEngComm","2021","23","34","5899","5907","10.1039/D1CE00445J","","","1.54184","CuKα","","0.0382","0.0357","","","0.1001","0.1022","","","","","","1.094","","","","has coordinates","268682","2021-09-06","10:31:32",""
"7243040","17.5816","0.0006","20.1048","0.0007","6.9531","0.0003","90","","95.208","0.004","90","","2447.6","0.16","223","","223.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H20 N4 S2 -","- C31 H17 N4 S2 -","- C124 H68 N16 S8 -","4","1","","Ito, Suguru; Nagai, Sayaka; Ubukata, Takashi; Tachikawa, Takashi","Multi-color mechanochromic luminescence of three polymorphic crystals of a donor‒acceptor-type benzothiadiazole derivative","CrystEngComm","2021","23","34","5899","5907","10.1039/D1CE00445J","","x-ray","1.54184","CuKα","","0.0609","0.0538","","","0.1617","0.1857","","","","","","1.117","","","","has coordinates,has disorder","268682","2021-09-06","10:31:32",""
"7243041","18.6467","0.0007","7.9281","0.0002","20.2852","0.0008","90","","114.132","0.005","90","","2736.7","0.2","123","","123","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H20 N4 S2 -","- C31 H20 N4 S2 -","- C124 H80 N16 S8 -","4","1","","Ito, Suguru; Nagai, Sayaka; Ubukata, Takashi; Tachikawa, Takashi","Multi-color mechanochromic luminescence of three polymorphic crystals of a donor‒acceptor-type benzothiadiazole derivative","CrystEngComm","2021","23","34","5899","5907","10.1039/D1CE00445J","","","1.54184","CuKα","","0.0525","0.0507","","","0.1457","0.1474","","","","","","1.036","","","","has coordinates","268682","2021-09-06","10:31:32",""
"7243042","14.016","0.0017","8.1673","0.001","14.8905","0.0019","90","","94.665","0.002","90","","1698.9","0.4","296","0.2","296","0.2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 N3 -","- C22 H17 N3 -","- C88 H68 N12 -","4","1","","Bandopadhyay, Nilaj; Joshi, Mayank; Armaković, Stevan; Armaković, Sanja J.; Das, Hari Sankar; Roy Choudhury, Angshuman; Biswas, Bhaskar","Unprecedented copper(ii) coordination induced nucleophilic cleavage of a quinoxaline heterocycle: structural and computational studies","CrystEngComm","2021","23","29","5078","5086","10.1039/D1CE00569C","","","0.71073","MoKα","","0.0477","0.0388","","","0.0965","0.1026","","","","","","1.061","","","","has coordinates","268632","2021-09-06","10:18:50",""
"7243043","7.6654","0.0004","12.3371","0.0005","14.5545","0.0007","90","","96.846","0.004","90","","1366.59","0.11","298","0.2","298","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 Cl2 Cu N2 O12 -","- C24 H22 Cl2 Cu N2 O12 -","- C48 H44 Cl4 Cu2 N4 O24 -","2","0.5","","Bandopadhyay, Nilaj; Joshi, Mayank; Armaković, Stevan; Armaković, Sanja J.; Das, Hari Sankar; Roy Choudhury, Angshuman; Biswas, Bhaskar","Unprecedented copper(ii) coordination induced nucleophilic cleavage of a quinoxaline heterocycle: structural and computational studies","CrystEngComm","2021","23","29","5078","5086","10.1039/D1CE00569C","","","0.71073","MoKα","","0.0993","0.0543","","","0.1398","0.1813","","","","","","1.031","","","","has coordinates","268632","2021-09-06","10:18:52",""
"7243044","8.459","0.004","10.258","0.005","13.519","0.007","107.813","0.005","96.028","0.006","91.195","0.006","1108.9","0.9","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C31 H19 N2 O -","- C31 H19 N2 O -","- C62 H38 N4 O2 -","2","1","","Zeng, Fei; Tang, Lin-Li; Liao, Juan; Ding, Man-Hua; Ou, Guang-Chuan","Formation of sandwich, macrocyclic and box supramolecular assemblies that were controlled by the distance of two oxygen atoms in hydrogen bonding donors","CrystEngComm","2021","23","28","4901","4904","10.1039/D1CE00644D","","","0.71073","MoKα","","0.0708","0.0483","","","0.1319","0.1471","","","","","","1.035","","","","has coordinates,has disorder","268638","2021-09-06","10:21:29",""
"7243045","5.6736","0.0015","25.031","0.006","18.519","0.005","90","","105.22","0.007","90","","2537.7","1.1","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H22 N2 O2 -","- C34 H22 N2 O2 -","- C136 H88 N8 O8 -","4","1","","Zeng, Fei; Tang, Lin-Li; Liao, Juan; Ding, Man-Hua; Ou, Guang-Chuan","Formation of sandwich, macrocyclic and box supramolecular assemblies that were controlled by the distance of two oxygen atoms in hydrogen bonding donors","CrystEngComm","2021","23","28","4901","4904","10.1039/D1CE00644D","","","0.71073","MoKα","","0.0727","0.05","","","0.1308","0.1482","","","","","","1.025","","","","has coordinates","268638","2021-09-06","10:21:32",""
"7243046","9.934","0.004","11.169","0.004","14.409","0.005","81.527","0.004","72.017","0.004","66.137","0.004","1390.2","0.9","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H24 N2 O2 -","- C38 H24 N2 O2 -","- C76 H48 N4 O4 -","2","1","","Zeng, Fei; Tang, Lin-Li; Liao, Juan; Ding, Man-Hua; Ou, Guang-Chuan","Formation of sandwich, macrocyclic and box supramolecular assemblies that were controlled by the distance of two oxygen atoms in hydrogen bonding donors","CrystEngComm","2021","23","28","4901","4904","10.1039/D1CE00644D","","","0.71073","MoKα","","0.0733","0.048","","","0.1332","0.151","","","","","","1.029","","","","has coordinates","268638","2021-09-06","10:21:37",""
"7243047","9.633","0.0006","25.6233","0.0011","10.1786","0.0006","90","","101.978","0.005","90","","2457.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H28 Mn3 N6 O12 -","- C52 H28 Mn3 N6 O12 -","- C104 H56 Mn6 N12 O24 -","2","0.5","","Zhou, Chuan-Cong; Liu, Hou-Ting; Ding, Li; Lu, Jing; Wang, Su-Na; Li, Yun-Wu","Proton conductivities of four low dimensional MOFs: affected by the amount of chelated ligands","CrystEngComm","2021","23","29","5106","5115","10.1039/D1CE00589H","","","1.54184","CuKα","","0.0909","0.0708","","","0.195","0.2117","","","","","","1.067","","","","has coordinates","268635","2021-09-06","10:20:11",""
"7243048","7.0276","0.0011","11.7785","0.0014","13.2567","0.0017","114.548","0.012","94.882","0.012","103.487","0.012","949.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H44 N2 Ni3 O28 -","- C28 H44 N2 Ni3 O28 -","- C28 H44 N2 Ni3 O28 -","1","0.5","","Zhou, Chuan-Cong; Liu, Hou-Ting; Ding, Li; Lu, Jing; Wang, Su-Na; Li, Yun-Wu","Proton conductivities of four low dimensional MOFs: affected by the amount of chelated ligands","CrystEngComm","2021","23","29","5106","5115","10.1039/D1CE00589H","","","1.54184","CuKα","","0.1271","0.0795","","","0.2207","0.2572","","","","","","1.052","","","","has coordinates,has disorder","268635","2021-09-06","10:20:14",""
"7243049","9.6405","0.0009","10.1868","0.0008","12.8047","0.0012","76.922","0.007","70.96","0.009","78.692","0.007","1147.62","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H28 Mn3 N6 O12 -","- C48 H28 Mn3 N6 O12 -","- C48 H28 Mn3 N6 O12 -","1","0.5","","Zhou, Chuan-Cong; Liu, Hou-Ting; Ding, Li; Lu, Jing; Wang, Su-Na; Li, Yun-Wu","Proton conductivities of four low dimensional MOFs: affected by the amount of chelated ligands","CrystEngComm","2021","23","29","5106","5115","10.1039/D1CE00589H","","","1.54184","CuKα","","0.0572","0.0413","","","0.0974","0.109","","","","","","0.88","","","","has coordinates","268635","2021-09-06","10:20:17",""
"7243050","8.0999","0.0003","27.363","0.001","20.2667","0.0008","90","","96.328","0.004","90","","4464.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H44 Co3 N4 O24 -","- C40 H44 Co3 N4 O24 -","- C160 H176 Co12 N16 O96 -","4","1","","Zhou, Chuan-Cong; Liu, Hou-Ting; Ding, Li; Lu, Jing; Wang, Su-Na; Li, Yun-Wu","Proton conductivities of four low dimensional MOFs: affected by the amount of chelated ligands","CrystEngComm","2021","23","29","5106","5115","10.1039/D1CE00589H","","","1.54184","CuKα","","0.1086","0.0737","","","0.1849","0.2108","","","","","","1.048","","","","has coordinates","268635","2021-09-06","10:20:28",""
"7243051","16.9","0.002","5.571","0.0007","16.42","0.002","90","","96.441","0.004","90","","1536.2","0.3","293","2","293","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","9-(phenylethynyl)anthracene","","- C22 H14 -","- C22 H14 -","- C88 H56 -","4","1","","Shen, Yue; Wang, Shiyin; Zhang, Xiangyu; Li, Nan; Liu, Haichao; Yang, Bing","Supramolecular complex strategy for pure organic multi-color luminescent materials and stimuli-responsive luminescence switching","CrystEngComm","2021","23","34","5918","5924","10.1039/D1CE00449B","","","0.71073","MoKα","","0.1999","0.0779","","","0.1928","0.3051","","","","","","1.091","","","","has coordinates","268681","2021-09-06","10:31:22",""
"7243052","9.7595","0.0005","7.9919","0.0003","36.1641","0.0016","90","","91.478","0.0018","90","","2819.8","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","9-(phenylethynyl)anthracene_1,2,4,5-tetracyanobenzene","","- C37 H17 N6 -","- C37 H17 N6 -","- C148 H68 N24 -","4","1","","Shen, Yue; Wang, Shiyin; Zhang, Xiangyu; Li, Nan; Liu, Haichao; Yang, Bing","Supramolecular complex strategy for pure organic multi-color luminescent materials and stimuli-responsive luminescence switching","CrystEngComm","2021","23","34","5918","5924","10.1039/D1CE00449B","","","0.71073","MoKα","","0.1199","0.0668","","","0.1336","0.1608","","","","","","1.066","","","","has coordinates","268681","2021-09-06","10:31:22",""
"7243053","6.8012","0.0004","24.7708","0.0015","14.5619","0.0009","90","","101.513","0.002","90","","2403.9","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","9-(phenylethynyl)anthracene_octafluoronaphthalene","","- C32 H14 F8 -","- C32 H14 F8 -","- C128 H56 F32 -","4","1","","Shen, Yue; Wang, Shiyin; Zhang, Xiangyu; Li, Nan; Liu, Haichao; Yang, Bing","Supramolecular complex strategy for pure organic multi-color luminescent materials and stimuli-responsive luminescence switching","CrystEngComm","2021","23","34","5918","5924","10.1039/D1CE00449B","","","0.71073","MoKα","","0.1417","0.0784","","","0.1464","0.176","","","","","","1.074","","","","has coordinates","268681","2021-09-06","10:31:22",""
"7243056","12.8677","0.0014","9.6306","0.001","16.3003","0.0016","90","","92.7196","0.0008","90","","2017.7","0.4","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","MQZ-GLC_anhydrate_25deg","MQZ-GLC_anhydrate","","- C22 H26 N2 O3 S -","- C22 H26 N2 O3 S -","- C88 H104 N8 O12 S4 -","4","1","","Okura, Ryuhei; Uchiyama, Hiromasa; Kadota, Kazunori; Tozuka, Yuichi","Hydrogen bonding from crystalline water mediates the hydration/dehydration of mequitazine glycolate","CrystEngComm","2021","23","27","4816","4824","10.1039/D1CE00543J","powder diffraction","","1.54186","CuKα","","","","","","","","","","2.6437","","","","","","","has coordinates","268639","2021-09-06","10:22:03",""
"7243057","13.0245","0.0019","9.6841","0.0014","16.368","0.002","90","","92.7266","0.0009","90","","2062.2","0.5","418","","418","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","MQZ-GLC_anhydrate_120deg","MQZ-GLC_anhydrate","","- C22 H26 N2 O3 S -","- C22 H26 N2 O3 S -","- C88 H104 N8 O12 S4 -","4","1","","Okura, Ryuhei; Uchiyama, Hiromasa; Kadota, Kazunori; Tozuka, Yuichi","Hydrogen bonding from crystalline water mediates the hydration/dehydration of mequitazine glycolate","CrystEngComm","2021","23","27","4816","4824","10.1039/D1CE00543J","powder diffraction","","1.54186","CuKα","","","","","","","","","","2.1475","","","","","","","has coordinates","268639","2021-09-06","10:22:09",""
"7243058","5.778","0.003","13.713","0.007","16.811","0.008","81.532","0.019","81.28","0.02","86.7","0.02","1301.4","1.1","140.15","","140.15","","","","","","","","","4","P -1","-P 1","2","","PFC-77","","- C17 H10 O4 S2 -","- C17 H10 O4 S2 -","- C34 H20 O8 S4 -","2","1","","Gao, Xiang-Yu; Li, Yu-Lin; Liu, Tian-Fu; Huang, Xin-Song; Cao, Rong","Single-crystal-to-single-crystal transformation of tetrathiafulvalene-based hydrogen-bonded organic frameworks","CrystEngComm","2021","23","27","4743","4747","10.1039/D1CE00519G","","x-ray","0.71073","MoKα","","0.181","0.142","","","0.4046","0.4283","","","","","","1.395","","","","has coordinates","268646","2021-09-06","10:23:39",""
"7243059","8.4537","0.0017","14.128","0.003","18.021","0.004","106.291","0.009","97.991","0.009","103.267","0.01","1962.5","0.7","149.99","","149.99","","","","","","","","","4","P -1","-P 1","2","","PFC-77","","- C34 H20 O8 S4 -","- C34 H20 O8 S4 -","- C68 H40 O16 S8 -","2","1","","Gao, Xiang-Yu; Li, Yu-Lin; Liu, Tian-Fu; Huang, Xin-Song; Cao, Rong","Single-crystal-to-single-crystal transformation of tetrathiafulvalene-based hydrogen-bonded organic frameworks","CrystEngComm","2021","23","27","4743","4747","10.1039/D1CE00519G","","","0.71073","MoKα","","0.2914","0.1694","","","0.4085","0.4897","","","","","","1.442","","","","has coordinates","268646","2021-09-06","10:23:39",""
"7243060","8.301","0.007","18.954","0.018","20.558","0.015","114.88","0.05","96.22","0.06","95.19","0.07","2884","4","150","2","149.99","","","","","","","","","4","P -1","-P 1","2","","PFC-78","","- C H O S -","- C34 H20 O8 S4 -","- C68 H40 O16 S8 -","2","1","","Gao, Xiang-Yu; Li, Yu-Lin; Liu, Tian-Fu; Huang, Xin-Song; Cao, Rong","Single-crystal-to-single-crystal transformation of tetrathiafulvalene-based hydrogen-bonded organic frameworks","CrystEngComm","2021","23","27","4743","4747","10.1039/D1CE00519G","","","0.71073","MoKα","","0.28","0.196","","","0.493","0.554","","","","","","1.882","","","","has coordinates","268646","2021-09-06","10:23:39",""
"7243061","57.3567","0.001","57.3567","0.001","29.225","0.0005","90","","90","","90","","96144","3","123","","123.15","","","","","","","","","5","I 41","I 4bw","80","","Rb@18-crown","","- C262.38 H275.18 N18 O85.27 Rb3.98 -","- C262.376 H275.172 N18 O85.263 Rb3.982 -","- C2099.01 H2201.38 N144 O682.104 Rb31.856 -","8","1","","Mizuno, Asato; Shuku, Yoshiaki; Suizu, Rie; Tsuchiizu, Masahisa; Awaga, Kunio","3D supramolecular chiral crystal structures of radical anion salts of (−)-NDI-Δ and possible magnetic phase diagrams","CrystEngComm","2021","23","29","5053","5059","10.1039/D1CE00628B","","","1.54187","CuKα","","0.1059","0.0494","","","0.1363","0.1806","","","","","","0.92","","","","has coordinates,has disorder","268634","2021-09-06","10:19:55",""
"7243068","8.4828","0.0016","12.528","0.002","6.6496","0.0011","90","","92.535","0.016","90","","706","0.2","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4,4'-(butane-1,4-diylbis(azanediyl))bis(3-methoxycyclobut-3-ene-1,2-dione)","Sq-1,4-dimer","","- C14 H16 N2 O6 -","- C7 H8 N O3 -","- C28 H32 N4 O12 -","4","1","","Singh, Abhishek; Singh, Reman Kumar; Patwari, G. Naresh","Hierarchy of π-stacking determines the conformational preferences of bis-squaramates","CrystEngComm","2021","23","31","5331","5336","10.1039/D1CE00623A","","x-ray","0.71073","MoKα","","0.1162","0.0954","","","0.2552","0.2825","","","","","","1.056","","","","has coordinates","268674","2021-09-06","10:29:39",""
"7243069","11.8489","0.0004","15.6629","0.0004","11.8621","0.0003","90","","93.465","0.002","90","","2197.44","0.11","123","0.1","123","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4,4'-(ethane-1,2-diylbis(azanediyl))bis(3-hydroxycyclobut-3-ene-1,2-dione)","Sq-12-dimer-hydrate","","- C20 H18 N4 O14 -","- C20 H18 N4 O14 -","- C80 H72 N16 O56 -","4","1","","Singh, Abhishek; Singh, Reman Kumar; Patwari, G. Naresh","Hierarchy of π-stacking determines the conformational preferences of bis-squaramates","CrystEngComm","2021","23","31","5331","5336","10.1039/D1CE00623A","","x-ray","0.71073","MoKα","","0.0615","0.0453","","","0.1171","0.1251","","","","","","1.069","","","","has coordinates","268674","2021-09-06","10:29:39",""
"7243070","7.8262","0.0003","9.1203","0.0004","10.2647","0.0004","79.094","0.004","86.345","0.003","79.409","0.003","706.86","0.05","150","","150","","","","","","","","","4","P -1","-P 1","2","4,4'-(ethane-1,2-diylbis(methylazanediyl))bis(3-methoxycyclobut-3-ene-1,2-dione)","Sq-1,2-methyldimer","","- C14 H16 N2 O6 -","- C14 H16 N2 O6 -","- C28 H32 N4 O12 -","2","1","","Singh, Abhishek; Singh, Reman Kumar; Patwari, G. Naresh","Hierarchy of π-stacking determines the conformational preferences of bis-squaramates","CrystEngComm","2021","23","31","5331","5336","10.1039/D1CE00623A","","x-ray","0.71073","MoKα","","0.0572","0.0492","","","0.1304","0.1365","","","","","","1.036","","","","has coordinates","268674","2021-09-06","10:29:39",""
"7243071","9.8568","0.0001","10.1633","0.0001","12.2811","0.0001","90","","101.617","0.001","90","","1205.09","0.02","122.99","0.1","122.99","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","4,4'-(ethane-1,2-diylbis(azanediyl))bis(3-methoxycyclobut-3-ene-1,2-dione)","Sq-1,2-dimer","","- C12 H12 N2 O6 -","- C9.6 H9.6 N1.6 O4.8 -","- C48 H48 N8 O24 -","5","0.625","","Singh, Abhishek; Singh, Reman Kumar; Patwari, G. Naresh","Hierarchy of π-stacking determines the conformational preferences of bis-squaramates","CrystEngComm","2021","23","31","5331","5336","10.1039/D1CE00623A","","x-ray","1.54184","CuKα","","0.033","0.0325","","","0.0872","0.0875","","","","","","1.057","","","","has coordinates","268674","2021-09-06","10:29:39",""
"7243072","8.4804","0.0005","13.0556","0.0008","13.3103","0.001","84.028","0.006","86.103","0.006","89.868","0.005","1462.27","0.17","150","","150","","","","","","","","","4","P -1","-P 1","2","4,4'-(propane-1,3-diylbis(methylazanediyl))bis(3-methoxycyclobut-3-ene-1,2-dione)","Sq-1,3-methyldimer","","- C30 H36 N4 O12 -","- C30 H36 N4 O12 -","- C60 H72 N8 O24 -","2","1","","Singh, Abhishek; Singh, Reman Kumar; Patwari, G. Naresh","Hierarchy of π-stacking determines the conformational preferences of bis-squaramates","CrystEngComm","2021","23","31","5331","5336","10.1039/D1CE00623A","","","0.71073","MoKα","","0.1433","0.0795","","","0.1752","0.222","","","","","","1.03","","","","has coordinates","268674","2021-09-06","10:29:39",""
"7243073","7.4436","0.0003","10.1464","0.0005","11.1808","0.0004","89.53","0.001","74.805","0.001","86.082","0.002","812.97","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H17 N23 O -","- C4 H17 N23 O -","- C8 H34 N46 O2 -","2","1","","Liu, Yifei; Dong, Zhen; Yang, Rui; Li, Haiyan; Liu, Yaxin; Ye, Zhiwen","Imino-bridged N-rich energetic materials: C4H3N17 and their derivatives assembled from the powerful combination of four tetrazoles","CrystEngComm","2021","23","31","5377","5384","10.1039/D1CE00674F","","","0.71073","MoKα","","0.0578","0.0397","","","0.0959","0.1049","","","","","","1.031","","","","has coordinates","268669","2021-09-06","10:28:30",""
"7243074","7.3804","0.0003","11.4595","0.0005","11.8445","0.0005","64.029","0.001","81.549","0.002","89.905","0.001","888.6","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H19 N21 O6 -","- C4 H19 N21 O6 -","- C8 H38 N42 O12 -","2","1","","Liu, Yifei; Dong, Zhen; Yang, Rui; Li, Haiyan; Liu, Yaxin; Ye, Zhiwen","Imino-bridged N-rich energetic materials: C4H3N17 and their derivatives assembled from the powerful combination of four tetrazoles","CrystEngComm","2021","23","31","5377","5384","10.1039/D1CE00674F","","","0.71073","MoKα","","0.0549","0.0397","","","0.0978","0.1049","","","","","","1.049","","","","has coordinates","268669","2021-09-06","10:28:30",""
"7243075","9.5686","0.0011","9.5808","0.001","9.5851","0.0011","81.051","0.003","81.699","0.003","60.468","0.003","752.9","0.15","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H10 N19 Na O -","- C4 H10 N19 Na O -","- C8 H20 N38 Na2 O2 -","2","1","","Liu, Yifei; Dong, Zhen; Yang, Rui; Li, Haiyan; Liu, Yaxin; Ye, Zhiwen","Imino-bridged N-rich energetic materials: C4H3N17 and their derivatives assembled from the powerful combination of four tetrazoles","CrystEngComm","2021","23","31","5377","5384","10.1039/D1CE00674F","","","0.71073","MoKα","","0.0683","0.0443","","","0.1108","0.123","","","","","","1.048","","","","has coordinates,has disorder","268669","2021-09-06","10:28:30",""
"7243076","13.226","0.002","10.403","0.002","7.7069","0.0015","90","","117.138","0.005","90","","943.7","0.3","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C8 H15 N17 O2 S2 -","- C8 H15 N17 O2 S2 -","- C16 H30 N34 O4 S4 -","2","0.5","","Liu, Yifei; Dong, Zhen; Yang, Rui; Li, Haiyan; Liu, Yaxin; Ye, Zhiwen","Imino-bridged N-rich energetic materials: C4H3N17 and their derivatives assembled from the powerful combination of four tetrazoles","CrystEngComm","2021","23","31","5377","5384","10.1039/D1CE00674F","","","0.71073","MoKα","","0.0343","0.0311","","","0.0804","0.0822","","","","","","1.081","","","","has coordinates","268669","2021-09-06","10:28:30",""
"7243077","7.2417","0.0006","10.6666","0.0007","11.9926","0.0009","77.757","0.002","85.569","0.002","80.379","0.002","891.72","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H14 N17 Na O3 -","- C7 H14 N17 Na O3 -","- C14 H28 N34 Na2 O6 -","2","1","","Liu, Yifei; Dong, Zhen; Yang, Rui; Li, Haiyan; Liu, Yaxin; Ye, Zhiwen","Imino-bridged N-rich energetic materials: C4H3N17 and their derivatives assembled from the powerful combination of four tetrazoles","CrystEngComm","2021","23","31","5377","5384","10.1039/D1CE00674F","","","0.71073","MoKα","","0.0704","0.0451","","","0.1137","0.1267","","","","","","1.02","","","","has coordinates","268669","2021-09-06","10:28:30",""
"7243078","7.234","0.0013","10.5985","0.0019","13.966","0.003","70.681","0.005","89.167","0.006","71.541","0.005","953.6","0.3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C7 H18 N26 -","- C7 H18 N26 -","- C14 H36 N52 -","2","1","","Liu, Yifei; Dong, Zhen; Yang, Rui; Li, Haiyan; Liu, Yaxin; Ye, Zhiwen","Imino-bridged N-rich energetic materials: C4H3N17 and their derivatives assembled from the powerful combination of four tetrazoles","CrystEngComm","2021","23","31","5377","5384","10.1039/D1CE00674F","","","0.71073","MoKα","","0.0554","0.0406","","","0.0971","0.1047","","","","","","1.03","","","","has coordinates","268669","2021-09-06","10:28:30",""
"7243084","11.443","0.003","25.579","0.005","5.1731","0.0009","90","","90","","90","","1514.2","0.6","296.15","","296.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H13 N3 O4 S -","- C14 H13 N3 O4 S -","- C56 H52 N12 O16 S4 -","4","1","","Hazarika, Pragyan J.; Gupta, Poonam; Gunnam, Anilkumar; Allu, Suryanarayana; Nangia, Ashwini K.; Nath, Naba K.","Photomechanical response of sulfonylhydrazone molecular crystals","CrystEngComm","2021","23","28","4910","4916","10.1039/D1CE00478F","","","0.71073","MoKα","","0.116","0.0693","","","0.1567","0.1811","","","","","","1.0407","","","","has coordinates","268637","2021-09-06","10:21:20",""
"7243085","11.54","0.005","5.32","0.002","22.8","0.011","90","","100.001","0.012","90","","1378.5","1","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N2 O2 S -","- C14 H14 N2 O2 S -","- C56 H56 N8 O8 S4 -","4","1","","Hazarika, Pragyan J.; Gupta, Poonam; Gunnam, Anilkumar; Allu, Suryanarayana; Nangia, Ashwini K.; Nath, Naba K.","Photomechanical response of sulfonylhydrazone molecular crystals","CrystEngComm","2021","23","28","4910","4916","10.1039/D1CE00478F","","","0.71073","MoKα","","0.0774","0.0481","","","0.1044","0.1154","","","","","","1.0617","","","","has coordinates","268637","2021-09-06","10:21:20",""
"7243086","5.6676","0.0003","10.5227","0.0005","12.1824","0.0006","93.86","0.002","94.947","0.002","98.214","0.002","714.07","0.06","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H13 N3 O4 S -","- C14 H13 N3 O4 S -","- C28 H26 N6 O8 S2 -","2","1","","Hazarika, Pragyan J.; Gupta, Poonam; Gunnam, Anilkumar; Allu, Suryanarayana; Nangia, Ashwini K.; Nath, Naba K.","Photomechanical response of sulfonylhydrazone molecular crystals","CrystEngComm","2021","23","28","4910","4916","10.1039/D1CE00478F","","","0.71073","MoKα","","0.0358","0.0329","","","0.1056","0.1106","","","","","","0.9873","","","","has coordinates","268637","2021-09-06","10:21:20",""
"7243087","20.0412","0.0009","10.228","0.0005","15.0199","0.0007","90","","102.816","0.003","90","","3002.1","0.2","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N3 O4 S -","- C14 H13 N3 O4 S -","- C112 H104 N24 O32 S8 -","8","2","","Hazarika, Pragyan J.; Gupta, Poonam; Gunnam, Anilkumar; Allu, Suryanarayana; Nangia, Ashwini K.; Nath, Naba K.","Photomechanical response of sulfonylhydrazone molecular crystals","CrystEngComm","2021","23","28","4910","4916","10.1039/D1CE00478F","","","0.71073","MoKα","","0.0788","0.048","","","0.0999","0.1133","","","","","","1.0714","","","","has coordinates","268637","2021-09-06","10:21:20",""
"7243093","10.1573","0.001","12.9967","0.0012","17.941","0.0017","106.658","0.003","94.168","0.003","92.148","0.003","2258.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H30 Co2 N14 O14 -","- C48 H30 Co2 N14 O14 -","- C96 H60 Co4 N28 O28 -","2","1","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Tseng, Kuo-Yang; Hong, Yu-Xian; Huang, Guang-Cheng","Bent-bis(triazolyl)-based coordination polymers tuned by dicarboxylate ligands: syntheses, structures and properties","CrystEngComm","2021","23","31","5293","5305","10.1039/D1CE00780G","","","0.71073","MoKα","","0.1019","0.0511","","","0.0859","0.1014","","","","","","1.021","","","","has coordinates","268668","2021-09-06","10:28:20",""
"7243094","6.0668","0.0004","25.6268","0.0015","19.263","0.0012","90","","93.306","0.002","90","","2989.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Cd N6 O9 S -","- C30 H24 Cd N6 O9 S -","- C120 H96 Cd4 N24 O36 S4 -","4","1","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Tseng, Kuo-Yang; Hong, Yu-Xian; Huang, Guang-Cheng","Bent-bis(triazolyl)-based coordination polymers tuned by dicarboxylate ligands: syntheses, structures and properties","CrystEngComm","2021","23","31","5293","5305","10.1039/D1CE00780G","","","0.71073","MoKα","","0.0546","0.045","","","0.0976","0.1011","","","","","","1.202","","","","has coordinates","268668","2021-09-06","10:28:20",""
"7243095","10.2125","0.0013","11.4153","0.0015","15.21","0.002","95.508","0.004","102.091","0.004","104.351","0.003","1659.1","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31.25 H27.25 N6.25 O8.25 Zn -","- C31.25 H25.25 N6.25 O8.25 Zn -","- C62.5 H50.5 N12.5 O16.5 Zn2 -","2","1","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Tseng, Kuo-Yang; Hong, Yu-Xian; Huang, Guang-Cheng","Bent-bis(triazolyl)-based coordination polymers tuned by dicarboxylate ligands: syntheses, structures and properties","CrystEngComm","2021","23","31","5293","5305","10.1039/D1CE00780G","","","0.71073","MoKα","","0.092","0.0643","","","0.1746","0.1989","","","","","","1.005","","","","has coordinates,has disorder","268668","2021-09-06","10:28:20",""
"7243096","27.066","0.007","8","0.002","23.551","0.005","90","","109.498","0.007","90","","4807","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 Cd N6 O6 -","- C24 H24 Cd N6 O6 -","- C192 H192 Cd8 N48 O48 -","8","1","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Tseng, Kuo-Yang; Hong, Yu-Xian; Huang, Guang-Cheng","Bent-bis(triazolyl)-based coordination polymers tuned by dicarboxylate ligands: syntheses, structures and properties","CrystEngComm","2021","23","31","5293","5305","10.1039/D1CE00780G","","","0.71073","MoKα","","0.0295","0.0253","","","0.0571","0.0591","","","","","","1.072","","","","has coordinates","268668","2021-09-06","10:28:20",""
"7243097","16.038","0.007","8.955","0.004","17.558","0.007","90","","111.217","0.011","90","","2350.8","1.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H17 N7 O6 Zn -","- C25 H17 N7 O6 Zn -","- C100 H68 N28 O24 Zn4 -","4","1","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Tseng, Kuo-Yang; Hong, Yu-Xian; Huang, Guang-Cheng","Bent-bis(triazolyl)-based coordination polymers tuned by dicarboxylate ligands: syntheses, structures and properties","CrystEngComm","2021","23","31","5293","5305","10.1039/D1CE00780G","","","0.71073","MoKα","","0.0856","0.0509","","","0.0906","0.1019","","","","","","1.042","","","","has coordinates,has disorder","268668","2021-09-06","10:28:20",""
"7243098","7.2333","0.0005","9.681","0.0007","17.5939","0.0012","98.331","0.002","98.781","0.002","103.468","0.002","1163.04","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H17 N7 O8 Zn -","- C24 H17 N7 O8 Zn -","- C48 H34 N14 O16 Zn2 -","2","1","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Tseng, Kuo-Yang; Hong, Yu-Xian; Huang, Guang-Cheng","Bent-bis(triazolyl)-based coordination polymers tuned by dicarboxylate ligands: syntheses, structures and properties","CrystEngComm","2021","23","31","5293","5305","10.1039/D1CE00780G","","","0.71073","MoKα","","0.0489","0.0368","","","0.0893","0.0962","","","","","","1.034","","","","has coordinates","268668","2021-09-06","10:28:20",""
"7243099","7.8677","0.0011","25.794","0.004","16.371","0.003","90","","95.172","0.004","90","","3308.8","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H26 Cd2 N6 O10 -","- C34 H26 Cd2 N6 O10 -","- C136 H104 Cd8 N24 O40 -","4","1","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Tseng, Kuo-Yang; Hong, Yu-Xian; Huang, Guang-Cheng","Bent-bis(triazolyl)-based coordination polymers tuned by dicarboxylate ligands: syntheses, structures and properties","CrystEngComm","2021","23","31","5293","5305","10.1039/D1CE00780G","","","0.71073","MoKα","","0.0216","0.0184","","","0.0433","0.0448","","","","","","1.044","","","","has coordinates","268668","2021-09-06","10:28:20",""
"7243100","12.243","0.003","12.243","0.003","12.243","0.003","90","","90","","90","","1835.1","0.8","296","2","296","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- B12 H13 K O25 -","- B12 H12.9996 K O25 -","- B48 H51.9984 K4 O100 -","4","0.166667","","Qiu, Qi-Ming; Yang, Guo-Yu","From [B6O13]8− to [GaB5O13]8− to [Ga{B5O9(OH)}{BO(OH)2}]2−: synthesis, structure and nonlinear optical properties of new metal borates","CrystEngComm","2021","23","30","5200","5207","10.1039/D1CE00719J","","","0.71073","MoKα","","0.0578","0.0502","","","0.135","0.1405","","","","","","1.068","","","","has coordinates,has disorder","268664","2021-09-06","10:27:31",""
"7243101","7.027","0.002","8.039","0.002","11.442","0.004","108.567","0.01","93.633","0.011","90.442","0.011","611.2","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- B6 Cs Ga H3 Na O13 -","- B6 Cs Ga H3 Na O13 -","- B12 Cs2 Ga2 H6 Na2 O26 -","2","1","","Qiu, Qi-Ming; Yang, Guo-Yu","From [B6O13]8− to [GaB5O13]8− to [Ga{B5O9(OH)}{BO(OH)2}]2−: synthesis, structure and nonlinear optical properties of new metal borates","CrystEngComm","2021","23","30","5200","5207","10.1039/D1CE00719J","","","0.71073","MoKα","","0.069","0.0439","","","0.0898","0.1","","","","","","1.027","","","","has coordinates","268664","2021-09-06","10:27:31",""
"7243102","6.686","0.005","8.082","0.006","10.485","0.008","90","","97.192","0.018","90","","562.1","0.7","296","2","296","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C2 H10 B5 Ga N2 O10 -","- C2 H10 B5 Ga N2 O10 -","- C4 H20 B10 Ga2 N4 O20 -","2","1","","Qiu, Qi-Ming; Yang, Guo-Yu","From [B6O13]8− to [GaB5O13]8− to [Ga{B5O9(OH)}{BO(OH)2}]2−: synthesis, structure and nonlinear optical properties of new metal borates","CrystEngComm","2021","23","30","5200","5207","10.1039/D1CE00719J","","","0.71073","MoKα","","0.0677","0.0554","","","0.1212","0.1299","","","","","","1.054","","","","has coordinates","268664","2021-09-06","10:27:31",""
"7243103","11.9101","0.0005","14.8958","0.0006","16.5644","0.0007","106.243","0.001","109.77","0.001","96.022","0.001","2589.55","0.19","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C52 H44 N8 O14 S2 Zn2 -","- C52 H44 N8 O14 S2 Zn2 -","- C104 H88 N16 O28 S4 Zn4 -","2","1","","Wang, Xiuli; Ma, Jianxin; Xu, Na; Wang, Yue; Sun, Jiayu; Liu, Guocheng","Three Zn(ii) coordination polymers constructed with a new amide-thiophene-derived bis-pyridyl ligand as ultrasensitive luminescent sensors for Hg(ii) and purines","CrystEngComm","2021","23","27","4760","4766","10.1039/D1CE00527H","","","0.71073","MoKα","","0.0686","0.0419","","","0.0963","0.1077","","","","","","1.018","","","","has coordinates,has disorder","268644","2021-09-06","10:23:12",""
"7243104","10.0385","0.001","11.1557","0.0012","12.4792","0.0013","79.339","0.002","80.212","0.002","68.539","0.002","1270.1","0.2","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H22 N4 O6 S Zn -","- C27 H22 N4 O6 S Zn -","- C54 H44 N8 O12 S2 Zn2 -","2","1","","Wang, Xiuli; Ma, Jianxin; Xu, Na; Wang, Yue; Sun, Jiayu; Liu, Guocheng","Three Zn(ii) coordination polymers constructed with a new amide-thiophene-derived bis-pyridyl ligand as ultrasensitive luminescent sensors for Hg(ii) and purines","CrystEngComm","2021","23","27","4760","4766","10.1039/D1CE00527H","","x-ray","0.71073","MoKα","K-L~3~","0.0597","0.0409","","","0.0948","0.103","","","","","","1.021","","","","has coordinates,has disorder","268644","2021-09-06","10:23:13",""
"7243105","9.8851","0.0008","10.896","0.0008","12.2041","0.001","82.082","0.002","80.528","0.002","68.643","0.002","1203.18","0.17","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H20 N4 O7 S Zn -","- C26 H20 N4 O7 S Zn -","- C52 H40 N8 O14 S2 Zn2 -","2","1","","Wang, Xiuli; Ma, Jianxin; Xu, Na; Wang, Yue; Sun, Jiayu; Liu, Guocheng","Three Zn(ii) coordination polymers constructed with a new amide-thiophene-derived bis-pyridyl ligand as ultrasensitive luminescent sensors for Hg(ii) and purines","CrystEngComm","2021","23","27","4760","4766","10.1039/D1CE00527H","","x-ray","0.71073","MoKα","K-L~3~","0.0665","0.0406","","","0.0746","0.0842","","","","","","1.004","","","","has coordinates","268644","2021-09-06","10:23:13",""
"7243110","7.4211","0.0004","6.5606","0.0004","5.1633","0.0003","83.817","0.002","110.727","0.002","123.412","0.002","195.03","0.02","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- Bi2 Ni2 O10 P2 -","- Bi2 Ni2 O10 P2 -","- Bi2 Ni2 O10 P2 -","1","0.5","","Colmont, Marie; Zadoya, Anastasiya; Darie, Céline; Domingos, Cyril; Leclercq, Bastien; Mentré, Olivier","Direct Bi3±-Bi3+ contacts mediated by lone pairs in the HP-BiNiO(PO4) polymorph","CrystEngComm","2021","23","29","5124","5130","10.1039/D1CE00802A","powder diffraction","x-ray","1.54187","CuKα","","0.0383","0.0383","","0.0483","0.0483","","","","3.53","","","","","","","has coordinates","268631","2021-09-06","10:18:36",""
"7243111","9.4495","0.0003","11.2688","0.0003","18.2721","0.0006","73.315","0.001","82.268","0.001","74.353","0.001","1791.27","0.1","273","2","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- C47 H33 Cl N2 -","- C47 H33 Cl N2 -","- C94 H66 Cl2 N4 -","2","1","","Nagarasu, Palaniyappan; Kundu, Anu; Thiruvenkatam, Vijay; Raghavaiah, Pallepogu; Anthony, Savarimuthu Philip; Madhu, Vedichi","Investigating the structure‒fluorescence properties of tetraphenylethylene fused imidazole AIEgens: reversible mechanofluorochromism and polymer matrix controlled fluorescence tuning","CrystEngComm","2021","23","31","5403","5410","10.1039/D1CE00561H","","","0.71073","MoKα","","0.0603","0.0511","","","0.1242","0.1303","","","","","","1.046","","","","has coordinates","268670","2021-09-06","10:28:44",""
"7243112","9.397","0.0014","10.5684","0.0015","19.829","0.003","100.913","0.003","91.886","0.004","113.365","0.003","1762.3","0.5","273","2","273.15","","","","","","","","","3","P -1","-P 1","2","","","","- C47 H34 N2 -","- C47 H34 N2 -","- C94 H68 N4 -","2","1","","Nagarasu, Palaniyappan; Kundu, Anu; Thiruvenkatam, Vijay; Raghavaiah, Pallepogu; Anthony, Savarimuthu Philip; Madhu, Vedichi","Investigating the structure‒fluorescence properties of tetraphenylethylene fused imidazole AIEgens: reversible mechanofluorochromism and polymer matrix controlled fluorescence tuning","CrystEngComm","2021","23","31","5403","5410","10.1039/D1CE00561H","","","0.71073","MoKα","","0.2186","0.0801","","","0.1794","0.2475","","","","","","0.967","","","","has coordinates","268670","2021-09-06","10:28:54",""
"7243113","9.3263","0.001","10.8791","0.0012","19.822","0.002","98.441","0.004","94.465","0.003","114.358","0.003","1790.8","0.3","273","2","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- C47 H33 F N2 -","- C47 H33 F N2 -","- C94 H66 F2 N4 -","2","1","","Nagarasu, Palaniyappan; Kundu, Anu; Thiruvenkatam, Vijay; Raghavaiah, Pallepogu; Anthony, Savarimuthu Philip; Madhu, Vedichi","Investigating the structure‒fluorescence properties of tetraphenylethylene fused imidazole AIEgens: reversible mechanofluorochromism and polymer matrix controlled fluorescence tuning","CrystEngComm","2021","23","31","5403","5410","10.1039/D1CE00561H","","","0.71073","MoKα","","0.172","0.1461","","","0.4138","0.4278","","","","","","1.085","","","","has coordinates","268670","2021-09-06","10:28:54",""
"7243114","29.6992","0.0015","14.6641","0.0004","25.7385","0.0009","90","","108.808","0.005","90","","10610.9","0.8","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C71 H72 Cd7 N12 O49 -","- C72 H72 Cd7 N12 O49 -","- C288 H288 Cd28 N48 O196 -","4","1","","Li, Yang; Chen, Shumei; Xu, Zhong-Xuan; Wu, Xin; Zhang, Huabin; Zhang, Jian","Asymmetric metal‒organic frameworks with double helices for enantioselective recognition","CrystEngComm","2021","23","27","4748","4751","10.1039/D1CE00630D","","","0.71073","MoKα","","0.0456","0.0383","","","0.087","0.0912","","","","","","0.989","","","","has coordinates","268642","2021-09-06","10:22:52",""
"7243115","29.771","0.006","14.658","0.003","25.708","0.005","90","","108.927","0.004","90","","10612","4","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C72 H72 Cd7 N12 O49 -","- C72 H72 Cd7 N12 O49 -","- C288 H288 Cd28 N48 O196 -","4","1","","Li, Yang; Chen, Shumei; Xu, Zhong-Xuan; Wu, Xin; Zhang, Huabin; Zhang, Jian","Asymmetric metal‒organic frameworks with double helices for enantioselective recognition","CrystEngComm","2021","23","27","4748","4751","10.1039/D1CE00630D","","","0.71073","MoKα","","0.0574","0.0556","","","0.1535","0.1581","","","","","","1.033","","","","has coordinates","268642","2021-09-06","10:22:52",""
"7243116","21.53","0.02","10.926","0.01","18.35","0.016","90","","90","","90","","4317","7","296","","296","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C44 H26 F9 N4 O6 Y -","- C44 H26 F9 N4 O6 Y -","- C176 H104 F36 N16 O24 Y4 -","4","1","","Cen, Peipei; He, Zixin; Ding, Runmei; Yang, Huifang; Li, Li; Zhang, Yi-Quan; Li, Yonghong; Tian, Danian; Liu, Xiangyu","Modulating the slow magnetic relaxation of a mononuclear Dy(iii) single-molecule magnet via a magnetic field and dilution effects","CrystEngComm","2021","23","32","5443","5450","10.1039/D1CE00682G","","","0.71073","MoKα","","0.1948","0.0717","","","0.1495","0.1953","","","","","","0.979","","","","has coordinates,has disorder","268654","2021-09-06","10:25:33",""
"7243117","21.3258","0.0011","10.8147","0.0003","17.9497","0.0008","90","","90","","90","","4139.8","0.3","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C44 H26 F9 N4 O6 Y -","- C44 H26 F9 N4 O6 Y -","- C176 H104 F36 N16 O24 Y4 -","4","1","","Cen, Peipei; He, Zixin; Ding, Runmei; Yang, Huifang; Li, Li; Zhang, Yi-Quan; Li, Yonghong; Tian, Danian; Liu, Xiangyu","Modulating the slow magnetic relaxation of a mononuclear Dy(iii) single-molecule magnet via a magnetic field and dilution effects","CrystEngComm","2021","23","32","5443","5450","10.1039/D1CE00682G","","","1.54184","CuKα","","0.0897","0.0741","","","0.1861","0.2034","","","","","","1.056","","","","has coordinates,has disorder","268654","2021-09-06","10:25:33",""
"7243125","5.1833","0.0004","23.147","0.002","6.8285","0.0007","90","","107.681","0.01","90","","780.57","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H4 Cu N4 O2 -","- C8 H4 Cu N4 O2 -","- C32 H16 Cu4 N16 O8 -","4","1","","Hua, Feng-Zhen; Feng, Chao; Zhang, Ling-Mei; Yang, Yu-Meng; Zhang, Guo-Ning; Wang, Yu-Cheng; Zhao, Hong","Electrochemiluminescence properties and luminescence sensing of four novel polymers derived from 3-(pyrazin-2-yl)-1H-pyrazole-5-carboxylic acid","CrystEngComm","2021","23","32","5463","5474","10.1039/D1CE00621E","","","0.71073","MoKα","","0.0496","0.0346","","","0.0749","0.0824","","","","","","1.037","","","","has coordinates","268650","2021-09-06","10:24:28",""
"7243126","6.8724","0.0004","8.5555","0.0006","10.8947","0.0007","103.025","0.005","102.889","0.005","111.241","0.006","547.97","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H8 Cl N4 O4 Zn1.5 -","- C8 H8 Cl N4 O4 Zn1.5 -","- C16 H16 Cl2 N8 O8 Zn3 -","2","1","","Hua, Feng-Zhen; Feng, Chao; Zhang, Ling-Mei; Yang, Yu-Meng; Zhang, Guo-Ning; Wang, Yu-Cheng; Zhao, Hong","Electrochemiluminescence properties and luminescence sensing of four novel polymers derived from 3-(pyrazin-2-yl)-1H-pyrazole-5-carboxylic acid","CrystEngComm","2021","23","32","5463","5474","10.1039/D1CE00621E","","","0.71073","MoKα","","0.05","0.034","","","0.0729","0.0809","","","","","","1.062","","","","has coordinates","268650","2021-09-06","10:24:29",""
"7243127","8.5821","0.001","13.578","0.0011","9.2842","0.0011","90","","116.067","0.015","90","","971.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 N4 Ni O4 -","- C8 H7 N4 Ni O4 -","- C32 H28 N16 Ni4 O16 -","4","1","","Hua, Feng-Zhen; Feng, Chao; Zhang, Ling-Mei; Yang, Yu-Meng; Zhang, Guo-Ning; Wang, Yu-Cheng; Zhao, Hong","Electrochemiluminescence properties and luminescence sensing of four novel polymers derived from 3-(pyrazin-2-yl)-1H-pyrazole-5-carboxylic acid","CrystEngComm","2021","23","32","5463","5474","10.1039/D1CE00621E","","","0.71073","MoKα","","0.0425","0.0322","","","0.0712","0.0761","","","","","","1.033","","","","has coordinates","268650","2021-09-06","10:24:29",""
"7243128","13.8772","0.0007","9.5629","0.0005","7.5481","0.0004","90","","94.152","0.006","90","","999.05","0.09","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H5 Cl N4 O2 Pb -","- C8 H4 Cl N4 O2 Pb -","- C32 H16 Cl4 N16 O8 Pb4 -","4","1","","Hua, Feng-Zhen; Feng, Chao; Zhang, Ling-Mei; Yang, Yu-Meng; Zhang, Guo-Ning; Wang, Yu-Cheng; Zhao, Hong","Electrochemiluminescence properties and luminescence sensing of four novel polymers derived from 3-(pyrazin-2-yl)-1H-pyrazole-5-carboxylic acid","CrystEngComm","2021","23","32","5463","5474","10.1039/D1CE00621E","","","0.71","MoKα","","0.0431","0.0315","","","0.0689","0.0755","","","","","","1.082","","","","has coordinates","268650","2021-09-06","10:24:29",""
"7243129","20.5149","0.0008","16.0901","0.0012","15.5524","0.0005","90","","90","","90","","5133.6","0.5","296.3","0.9","296.3","0.9","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C16 H16 Co0.67 N2 O6 -","- C16 H16 Co0.666667 N2 O6 -","- C192 H192 Co8 N24 O72 -","12","0.75","","Mylonas-Margaritis, Ioannis; Mayans, Júlia; Tong, Wenming; Farràs, Pau; Escuer, Albert; McArdle, Patrick; Papatriantafyllopoulou, Constantina","Synthesis and characterization of new coordination compounds by the use of 2-pyridinemethanol and di- or tricarboxylic acids","CrystEngComm","2021","23","32","5489","5497","10.1039/D1CE00659B","","","0.71073","MoKα","","0.1258","0.0598","","","0.1331","0.1626","","","","","","1","","","","has coordinates,has disorder","268647","2021-09-06","10:23:52",""
"7243130","17.034","0.0005","11.4043","0.0003","12.6992","0.0003","90","","90","","90","","2466.96","0.11","299","0.2","299","0.2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C23 H22 N3 O7 Zn2 -","- C23 H22 N3 O7 Zn2 -","- C92 H88 N12 O28 Zn8 -","4","1","","Mylonas-Margaritis, Ioannis; Mayans, Júlia; Tong, Wenming; Farràs, Pau; Escuer, Albert; McArdle, Patrick; Papatriantafyllopoulou, Constantina","Synthesis and characterization of new coordination compounds by the use of 2-pyridinemethanol and di- or tricarboxylic acids","CrystEngComm","2021","23","32","5489","5497","10.1039/D1CE00659B","","","0.71073","MoKα","","0.0506","0.0309","","","0.079","0.0944","","","","","","0.852","","","","has coordinates,has disorder","268647","2021-09-06","10:23:52",""
"7243131","11.3588","0.0007","30.0187","0.001","12.2991","0.0008","90","","117.471","0.008","90","","3720.8","0.4","297.1","0.8","297.1","0.8","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C14.5 H11.5 N1.5 Ni0.75 O6.62 -","- C14.5 H11.5 N1.5 Ni0.75 O6.625 -","- C116 H92 N12 Ni6 O53 -","8","1","","Mylonas-Margaritis, Ioannis; Mayans, Júlia; Tong, Wenming; Farràs, Pau; Escuer, Albert; McArdle, Patrick; Papatriantafyllopoulou, Constantina","Synthesis and characterization of new coordination compounds by the use of 2-pyridinemethanol and di- or tricarboxylic acids","CrystEngComm","2021","23","32","5489","5497","10.1039/D1CE00659B","","","0.71073","MoKα","","0.1073","0.084","","","0.247","0.2646","","","","","","1.005","","","","has coordinates","268647","2021-09-06","10:23:52",""
"7243132","20.5127","0.0006","16.0761","0.0005","15.2569","0.0005","90","","90","","90","","5031.2","0.3","298","0.1","298","0.1","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C46 H38 N6 Ni2 O18 -","- C45.9998 H38 N6 Ni2 O18 -","- C183.999 H152 N24 Ni8 O72 -","4","0.25","","Mylonas-Margaritis, Ioannis; Mayans, Júlia; Tong, Wenming; Farràs, Pau; Escuer, Albert; McArdle, Patrick; Papatriantafyllopoulou, Constantina","Synthesis and characterization of new coordination compounds by the use of 2-pyridinemethanol and di- or tricarboxylic acids","CrystEngComm","2021","23","32","5489","5497","10.1039/D1CE00659B","","","0.71073","MoKα","","0.0746","0.0538","","","0.1995","0.2447","","","","","","0.99","","","","has coordinates","268647","2021-09-06","10:23:52",""
"7243133","10.4617","0.001","14.6431","0.001","12.7995","0.0009","90","","97.576","0.007","90","","1943.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H36 Fe3 N4 O12 -","- C36 H24 Fe3 N2 O18 -","- C72 H48 Fe6 N4 O36 -","2","0.5","","Mylonas-Margaritis, Ioannis; Mayans, Júlia; Tong, Wenming; Farràs, Pau; Escuer, Albert; McArdle, Patrick; Papatriantafyllopoulou, Constantina","Synthesis and characterization of new coordination compounds by the use of 2-pyridinemethanol and di- or tricarboxylic acids","CrystEngComm","2021","23","32","5489","5497","10.1039/D1CE00659B","","","0.71073","MoKα","","0.2008","0.0745","","","0.1098","0.1552","","","","","","0.875","","","","has coordinates","268647","2021-09-06","10:23:52",""
"7243134","6.1846","0.0002","27.8403","0.0008","7.4558","0.0002","90","","109.007","0.003","90","","1213.76","0.07","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","GABA-L-tartaric acid (1:1) monohydrate","GABA-L-tartaric acid (1:1) monohydrate","","- C8 H17 N O9 -","- C8 H17 N O9 -","- C32 H68 N4 O36 -","4","2","","Losev, E. A.; Pishchur, D. P.; Boldyreva, E. V.","A new monohydrated molecular salt of GABA with l-tartaric acid: the structure-forming role of water","CrystEngComm","2021","23","35","6086","6092","10.1039/D1CE00470K","","x-ray","0.71073","MoKα","","0.0629","0.0477","","","0.0937","0.1002","","","","","","1.024","","","","has coordinates,has disorder","269687","2021-10-06","14:54:03",""
"7243135","11.388","0.003","12.621","0.003","14.493","0.004","100.52","0.005","109.121","0.005","97.132","0.005","1896.7","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H30 Ag2 N7 O8.5 -","- C28 H19 Ag2 N5 O6 -","- C56 H38 Ag4 N10 O12 -","2","1","","Jiang, Wei; Lv, Mengying; Gao, Baihui; Liu, Bo; Yan, Guosong; Zhou, Shi; Liu, Chunbo; Xie, Wei; Che, Guangbo","Facile construction of an Ag0-doped Ag(i)-based coordination polymer via a self-photoreduction strategy for enhanced visible light driven photocatalysis","CrystEngComm","2021","23","31","5397","5402","10.1039/D1CE00699A","","","0.71073","MoKα","","0.1081","0.0518","","","0.1002","0.1149","","","","","","0.847","","","","has coordinates","268667","2021-09-06","10:28:07",""
"7243136","16.206","0.002","13.665","0.002","19.848","0.003","90","","105.603","0.004","90","","4233.5","1","296.15","","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H64 Cu6 Mo12 N20 O62 Te2 -","- C36 H64 Cu6 Mo12 N20 O62 Te2 -","- C72 H128 Cu12 Mo24 N40 O124 Te4 -","2","0.25","","Ying, Jun; Sun, Chenxi; Jin, Liang; Tian, Aixiang; Wang, Xiuli","Five compounds based on [TeMo6O24]6− and [β-Mo8O26]4− anions synthesized by using different symmetrical and asymmetric N-donor ligands","CrystEngComm","2021","23","31","5385","5396","10.1039/D1CE00775K","","","0.71073","MoKα","","0.0327","0.0258","","","0.0656","0.0686","","","","","","1.036","","","","has coordinates","268673","2021-09-06","10:29:30",""
"7243137","10.4645","0.0007","14.6884","0.001","13.0321","0.0009","90","","95.1","0.001","90","","1995.2","0.2","296.15","","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H44 Cu2 Mo6 N8 O30 Te -","- C12 H44 Cu2 Mo6 N8 O30 Te -","- C24 H88 Cu4 Mo12 N16 O60 Te2 -","2","0.5","","Ying, Jun; Sun, Chenxi; Jin, Liang; Tian, Aixiang; Wang, Xiuli","Five compounds based on [TeMo6O24]6− and [β-Mo8O26]4− anions synthesized by using different symmetrical and asymmetric N-donor ligands","CrystEngComm","2021","23","31","5385","5396","10.1039/D1CE00775K","","","0.71073","MoKα","","0.0285","0.0256","","","0.0644","0.0655","","","","","","1.198","","","","has coordinates","268673","2021-09-06","10:29:30",""
"7243138","12.79","0.002","21.231","0.002","19.024","0.002","90","","97.734","0.003","90","","5118.9","1.1","296.15","","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H72 Cu4 Mo16 N24 O54 -","- C52 H72 Cu4 Mo16 N24 O54 -","- C104 H144 Cu8 Mo32 N48 O108 -","2","0.25","","Ying, Jun; Sun, Chenxi; Jin, Liang; Tian, Aixiang; Wang, Xiuli","Five compounds based on [TeMo6O24]6− and [β-Mo8O26]4− anions synthesized by using different symmetrical and asymmetric N-donor ligands","CrystEngComm","2021","23","31","5385","5396","10.1039/D1CE00775K","","","0.71073","MoKα","","0.117","0.0809","","","0.1632","0.1851","","","","","","1.034","","","","has coordinates,has disorder","268673","2021-09-06","10:29:30",""
"7243139","10.7719","0.0006","18.3338","0.001","12.7561","0.0007","90","","113.685","0.001","90","","2307","0.2","296.15","","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H16 Cu Mo4 N4 O15 -","- C13 H16 Cu Mo4 N4 O15 -","- C52 H64 Cu4 Mo16 N16 O60 -","4","1","","Ying, Jun; Sun, Chenxi; Jin, Liang; Tian, Aixiang; Wang, Xiuli","Five compounds based on [TeMo6O24]6− and [β-Mo8O26]4− anions synthesized by using different symmetrical and asymmetric N-donor ligands","CrystEngComm","2021","23","31","5385","5396","10.1039/D1CE00775K","","","0.71073","MoKα","","0.072","0.037","","","0.0655","0.0753","","","","","","0.972","","","","has coordinates","268673","2021-09-06","10:29:30",""
"7243140","11.1044","0.0014","11.8366","0.0015","13.6033","0.0017","77.836","0.002","72.274","0.002","85.532","0.002","1664.7","0.4","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C26 H42 Cu5 Mo12 N12 O56 Te2 -","- C26 H42 Cu5 Mo12 N12 O56 Te2 -","- C26 H42 Cu5 Mo12 N12 O56 Te2 -","1","0.5","","Ying, Jun; Sun, Chenxi; Jin, Liang; Tian, Aixiang; Wang, Xiuli","Five compounds based on [TeMo6O24]6− and [β-Mo8O26]4− anions synthesized by using different symmetrical and asymmetric N-donor ligands","CrystEngComm","2021","23","31","5385","5396","10.1039/D1CE00775K","","","0.71073","MoKα","","0.0589","0.0361","","","0.0785","0.0877","","","","","","1.017","","","","has coordinates","268673","2021-09-06","10:29:30",""
"7243143","10.188","0.004","11.162","0.004","19.431","0.007","86.926","0.009","77.759","0.009","88.866","0.01","2156.2","1.4","113","","113","","","","","","","","","8","P -1","-P 1","2","","","","- C43 H54 As0.55 F6 Fe N O8 P0.45 -","- C43 H54 As0.555 F6 Fe N O8 P0.445 -","- C86 H108 As1.11 F12 Fe2 N2 O16 P0.89 -","2","1","","Suzaki, Yuji; Fukuchi, Yugo; Tadami, Hiroko; Koizumi, Take-aki; Osakada, Kohtaro; Ide, Tomohito; Horie, Masaki; Hoshino, Norihisa; Akutagawa, Tomoyuki","Further investigations of the crystal-to-crystal phase transition of a [2]pseudorotaxane composed of ferrocene-terminated dialkylammonium and dibenzo[24]crown-8-ether","CrystEngComm","2021","23","34","5944","5952","10.1039/D1CE00457C","","","0.7107","MoKα","","","0.1067","","","","0.3538","","","","","","1.337","","","","has coordinates","268679","2021-09-06","10:30:50",""
"7243144","10.1785","0.0005","11.0668","0.001","19.4314","0.0009","86.883","0.009","77.412","0.007","88.969","0.01","2133","0.2","113","","113","","","","","","","","","7","P -1","-P 1","2","","","","- C43 H54 F6 Fe N O8 P -","- C43 H54 F6 Fe N O8 P -","- C86 H108 F12 Fe2 N2 O16 P2 -","2","1","","Suzaki, Yuji; Fukuchi, Yugo; Tadami, Hiroko; Koizumi, Take-aki; Osakada, Kohtaro; Ide, Tomohito; Horie, Masaki; Hoshino, Norihisa; Akutagawa, Tomoyuki","Further investigations of the crystal-to-crystal phase transition of a [2]pseudorotaxane composed of ferrocene-terminated dialkylammonium and dibenzo[24]crown-8-ether","CrystEngComm","2021","23","34","5944","5952","10.1039/D1CE00457C","","","0.7107","MoKα","","","0.0628","","","","0.1987","","","","","","0.954","","","","has coordinates","268679","2021-09-06","10:30:53",""
"7243145","10.204","0.002","11.089","0.003","19.442","0.004","86.955","0.006","77.616","0.004","88.875","0.006","2145.6","0.8","113","","113","","","","","","","","","8","P -1","-P 1","2","","","","- C43 H54 As0.49 F6 Fe N O8 P0.51 -","- C43 H54 As0.488 F6 Fe N O8 P0.512 -","- C86 H108 As0.976 F12 Fe2 N2 O16 P1.024 -","2","1","","Suzaki, Yuji; Fukuchi, Yugo; Tadami, Hiroko; Koizumi, Take-aki; Osakada, Kohtaro; Ide, Tomohito; Horie, Masaki; Hoshino, Norihisa; Akutagawa, Tomoyuki","Further investigations of the crystal-to-crystal phase transition of a [2]pseudorotaxane composed of ferrocene-terminated dialkylammonium and dibenzo[24]crown-8-ether","CrystEngComm","2021","23","34","5944","5952","10.1039/D1CE00457C","","","0.7107","MoKα","","","0.1134","","","","0.3708","","","","","","1.343","","","","has coordinates","268679","2021-09-06","10:30:53",""
"7243146","10.175","0.005","11.163","0.006","19.424","0.008","86.799","0.013","77.778","0.013","88.65","0.02","2152.7","1.8","113","","113","","","","","","","","","8","P -1","-P 1","2","","","","- C43 H54 As0.67 F6 Fe N O8 P0.33 -","- C43 H54 As0.67 F6 Fe N O8 P0.33 -","- C86 H108 As1.34 F12 Fe2 N2 O16 P0.66 -","2","1","","Suzaki, Yuji; Fukuchi, Yugo; Tadami, Hiroko; Koizumi, Take-aki; Osakada, Kohtaro; Ide, Tomohito; Horie, Masaki; Hoshino, Norihisa; Akutagawa, Tomoyuki","Further investigations of the crystal-to-crystal phase transition of a [2]pseudorotaxane composed of ferrocene-terminated dialkylammonium and dibenzo[24]crown-8-ether","CrystEngComm","2021","23","34","5944","5952","10.1039/D1CE00457C","","","0.7107","MoKα","","","0.1076","","","","0.3508","","","","","","1.237","","","","has coordinates","268679","2021-09-06","10:30:53",""
"7243147","10.203","0.003","11.091","0.003","19.44","0.005","86.95","0.006","77.515","0.005","88.98","0.006","2144.8","1","113","","113","","","","","","","","","8","P -1","-P 1","2","","","","- C43 H54 F6 Fe N O8 P0.92 Sb0.08 -","- C43 H54 F6 Fe N O8 P0.916 Sb0.084 -","- C86 H108 F12 Fe2 N2 O16 P1.832 Sb0.168 -","2","1","","Suzaki, Yuji; Fukuchi, Yugo; Tadami, Hiroko; Koizumi, Take-aki; Osakada, Kohtaro; Ide, Tomohito; Horie, Masaki; Hoshino, Norihisa; Akutagawa, Tomoyuki","Further investigations of the crystal-to-crystal phase transition of a [2]pseudorotaxane composed of ferrocene-terminated dialkylammonium and dibenzo[24]crown-8-ether","CrystEngComm","2021","23","34","5944","5952","10.1039/D1CE00457C","","","0.7107","MoKα","","","0.1175","","","","0.3812","","","","","","1.457","","","","has coordinates","268679","2021-09-06","10:30:53",""
"7243148","10.163","0.003","11.824","0.004","17.902","0.005","85.765","0.007","86.936","0.006","87.915","0.007","2141.2","1.1","113","","113","","","","","","","","","8","P -1","-P 1","2","","","","- C43 H54 F6 Fe N O8 P0.35 Sb0.65 -","- C43 H54 F6 Fe N O8 P0.35 Sb0.65 -","- C86 H108 F12 Fe2 N2 O16 P0.7 Sb1.3 -","2","1","","Suzaki, Yuji; Fukuchi, Yugo; Tadami, Hiroko; Koizumi, Take-aki; Osakada, Kohtaro; Ide, Tomohito; Horie, Masaki; Hoshino, Norihisa; Akutagawa, Tomoyuki","Further investigations of the crystal-to-crystal phase transition of a [2]pseudorotaxane composed of ferrocene-terminated dialkylammonium and dibenzo[24]crown-8-ether","CrystEngComm","2021","23","34","5944","5952","10.1039/D1CE00457C","","","0.7107","MoKα","","","0.0979","","","","0.2659","","","","","","1.06","","","","has coordinates","268679","2021-09-06","10:30:53",""
"7243149","10.194","0.003","11.112","0.003","19.439","0.005","86.85","0.006","77.726","0.006","88.805","0.007","2148.3","1","113","","113","","","","","","","","","8","P -1","-P 1","2","","","","- C43 H54 As0.36 F6 Fe N O8 P0.64 -","- C43 H54 As0.358 F6 Fe N O8 P0.642 -","- C86 H108 As0.716 F12 Fe2 N2 O16 P1.284 -","2","1","","Suzaki, Yuji; Fukuchi, Yugo; Tadami, Hiroko; Koizumi, Take-aki; Osakada, Kohtaro; Ide, Tomohito; Horie, Masaki; Hoshino, Norihisa; Akutagawa, Tomoyuki","Further investigations of the crystal-to-crystal phase transition of a [2]pseudorotaxane composed of ferrocene-terminated dialkylammonium and dibenzo[24]crown-8-ether","CrystEngComm","2021","23","34","5944","5952","10.1039/D1CE00457C","","","0.7107","MoKα","","","0.0808","","","","0.2747","","","","","","1.056","","","","has coordinates","268679","2021-09-06","10:30:53",""
"7243150","10.171","0.0017","11.182","0.002","19.436","0.004","86.772","0.005","77.689","0.005","88.611","0.005","2156.1","0.7","113","","113","","","","","","","","","8","P -1","-P 1","2","","","","- C43 H54 As0.72 F6 Fe N O8 P0.28 -","- C43 H54 As0.724 F6 Fe N O8 P0.276 -","- C86 H108 As1.448 F12 Fe2 N2 O16 P0.552 -","2","1","","Suzaki, Yuji; Fukuchi, Yugo; Tadami, Hiroko; Koizumi, Take-aki; Osakada, Kohtaro; Ide, Tomohito; Horie, Masaki; Hoshino, Norihisa; Akutagawa, Tomoyuki","Further investigations of the crystal-to-crystal phase transition of a [2]pseudorotaxane composed of ferrocene-terminated dialkylammonium and dibenzo[24]crown-8-ether","CrystEngComm","2021","23","34","5944","5952","10.1039/D1CE00457C","","","0.7107","MoKα","","","0.0946","","","","0.275","","","","","","1.076","","","","has coordinates","268679","2021-09-06","10:30:53",""
"7243151","10.17","0.003","11.106","0.004","19.439","0.006","86.836","0.009","77.378","0.006","88.73","0.009","2139.2","1.2","113","","113","","","","","","","","","8","P -1","-P 1","2","","","","- C43 H54 F6 Fe N O8 P0.84 Sb0.16 -","- C43 H54 F6 Fe N O8 P0.84 Sb0.16 -","- C86 H108 F12 Fe2 N2 O16 P1.68 Sb0.32 -","2","1","","Suzaki, Yuji; Fukuchi, Yugo; Tadami, Hiroko; Koizumi, Take-aki; Osakada, Kohtaro; Ide, Tomohito; Horie, Masaki; Hoshino, Norihisa; Akutagawa, Tomoyuki","Further investigations of the crystal-to-crystal phase transition of a [2]pseudorotaxane composed of ferrocene-terminated dialkylammonium and dibenzo[24]crown-8-ether","CrystEngComm","2021","23","34","5944","5952","10.1039/D1CE00457C","","","0.7107","MoKα","","","0.0909","","","","0.278","","","","","","1.47","","","","has coordinates","268679","2021-09-06","10:30:53",""
"7243152","21.497","0.005","9.893","0.002","22.324","0.005","90","","116.199","0.002","90","","4259.9","1.6","93.15","","93.15","","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C43 H54 F6 Fe N O8 P -","- C43 H54 F6 Fe N O8 P -","- C172 H216 F24 Fe4 N4 O32 P4 -","4","1","","Suzaki, Yuji; Fukuchi, Yugo; Tadami, Hiroko; Koizumi, Take-aki; Osakada, Kohtaro; Ide, Tomohito; Horie, Masaki; Hoshino, Norihisa; Akutagawa, Tomoyuki","Further investigations of the crystal-to-crystal phase transition of a [2]pseudorotaxane composed of ferrocene-terminated dialkylammonium and dibenzo[24]crown-8-ether","CrystEngComm","2021","23","34","5944","5952","10.1039/D1CE00457C","","","0.71073","MoKα","","0.1267","0.0762","","","0.1466","0.1637","","","","","","1.092","","","","has coordinates","268679","2021-09-06","10:30:53",""
"7243153","10.139","0.0018","11.679","0.002","17.971","0.003","85.655","0.004","87.434","0.004","88.542","0.005","2119.2","0.6","113.35","","113.35","","","","","","","","","8","P -1","-P 1","2","","","","- C43 H54 F6 Fe N O8 P0.484 Sb0.516 -","- C43 H54 F6 Fe N O8 P0.48436 Sb0.51564 -","- C86 H108 F12 Fe2 N2 O16 P0.96872 Sb1.03128 -","2","1","","Suzaki, Yuji; Fukuchi, Yugo; Tadami, Hiroko; Koizumi, Take-aki; Osakada, Kohtaro; Ide, Tomohito; Horie, Masaki; Hoshino, Norihisa; Akutagawa, Tomoyuki","Further investigations of the crystal-to-crystal phase transition of a [2]pseudorotaxane composed of ferrocene-terminated dialkylammonium and dibenzo[24]crown-8-ether","CrystEngComm","2021","23","34","5944","5952","10.1039/D1CE00457C","","","0.7107","MoKα","","0.0645","0.0548","","","0.1452","0.1637","","","","","","1.0287","","","","has coordinates,has disorder","268679","2021-09-06","10:30:53",""
"7243154","9.4922","0.0002","39.4939","0.0009","9.7199","0.0003","90","","110.321","0.001","90","","3417.05","0.15","160","","160","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C164 H108 Co4 N28 O16 -","- C164 H108 Co4 N28 O16 -","- C164 H108 Co4 N28 O16 -","1","0.25","","Ren, Zhu-Meng; Wang, Lu-Lu; Wang, Jin-Miao; Zhu, Bin; Gao, Qiang; Wang, Mei; Shao, Feng; Fan, Yu-Hua","Five novel MOFs with various dimensions as efficient catalysts for oxygen evolution reactions","CrystEngComm","2021","23","32","5475","5480","10.1039/D1CE00762A","","","0.71073","MoKα","","0.0875","0.0535","","","0.1141","0.1346","","","","","","1.054","","","","has coordinates","268653","2021-09-06","10:25:22",""
"7243155","9.311","0.0009","10.2559","0.0009","14.891","0.0014","105.346","0.003","94.24","0.003","115.645","0.003","1206.8","0.2","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 Mn N4 O5 -","- C26 H20 Mn N4 O5 -","- C52 H40 Mn2 N8 O10 -","2","1","","Ren, Zhu-Meng; Wang, Lu-Lu; Wang, Jin-Miao; Zhu, Bin; Gao, Qiang; Wang, Mei; Shao, Feng; Fan, Yu-Hua","Five novel MOFs with various dimensions as efficient catalysts for oxygen evolution reactions","CrystEngComm","2021","23","32","5475","5480","10.1039/D1CE00762A","","","0.71073","MoKα","","0.0798","0.0517","","","0.1131","0.1402","","","","","","1.045","","","","has coordinates","268653","2021-09-06","10:25:23",""
"7243156","10.0622","0.0005","10.432","0.0005","11.9877","0.0006","67.814","0.002","71.39","0.002","68.516","0.001","1060.07","0.09","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H36 Mn2 N6 O13 -","- C46 H36 Mn2 N6 O13 -","- C46 H36 Mn2 N6 O13 -","1","0.5","","Ren, Zhu-Meng; Wang, Lu-Lu; Wang, Jin-Miao; Zhu, Bin; Gao, Qiang; Wang, Mei; Shao, Feng; Fan, Yu-Hua","Five novel MOFs with various dimensions as efficient catalysts for oxygen evolution reactions","CrystEngComm","2021","23","32","5475","5480","10.1039/D1CE00762A","","","0.71073","MoKα","","0.0599","0.0402","","","0.0865","0.1018","","","","","","1.057","","","","has coordinates","268653","2021-09-06","10:25:23",""
"7243157","9.2544","0.0005","10.3343","0.0006","14.8355","0.0008","105.384","0.002","93.551","0.002","116.082","0.002","1202.28","0.12","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H22 Mn N4 O5 -","- C27 H22 Mn N4 O5 -","- C54 H44 Mn2 N8 O10 -","2","1","","Ren, Zhu-Meng; Wang, Lu-Lu; Wang, Jin-Miao; Zhu, Bin; Gao, Qiang; Wang, Mei; Shao, Feng; Fan, Yu-Hua","Five novel MOFs with various dimensions as efficient catalysts for oxygen evolution reactions","CrystEngComm","2021","23","32","5475","5480","10.1039/D1CE00762A","","","0.71073","MoKα","","0.0826","0.0537","","","0.1211","0.143","","","","","","1.058","","","","has coordinates","268653","2021-09-06","10:25:23",""
"7243158","13.1164","0.0004","16.1174","0.0005","14.7873","0.0005","90","","109.782","0.001","90","","2941.59","0.16","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H15 N3 Ni O5 -","- C23 H15 N3 Ni O5 -","- C92 H60 N12 Ni4 O20 -","4","1","","Ren, Zhu-Meng; Wang, Lu-Lu; Wang, Jin-Miao; Zhu, Bin; Gao, Qiang; Wang, Mei; Shao, Feng; Fan, Yu-Hua","Five novel MOFs with various dimensions as efficient catalysts for oxygen evolution reactions","CrystEngComm","2021","23","32","5475","5480","10.1039/D1CE00762A","","","0.71073","MoKα","","0.0914","0.0625","","","0.1566","0.1724","","","","","","1.081","","","","has coordinates","268653","2021-09-06","10:25:23",""
"7243182","9.1218","0.0004","17.4862","0.0008","9.4704","0.0004","90","","91.7907","0.0017","90","","1509.84","0.11","301","2","301","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Rubidium Sodium Cerium Thiophosphate","","- Ce Na0.5 P2 Rb2.5 S8 -","- Ce Na0.499 P2 Rb2.501 S8 -","- Ce4 Na1.996 P8 Rb10.004 S32 -","4","1","","Breton, Logan S.; Smith, Mark D.; zur Loye, Hans-Conrad","Trends in rare earth thiophosphate syntheses: Rb3Ln(PS4)2 (Ln = La, Ce, Pr), Rb3−xNaxLn(PS4)2 (Ln = Ce, Pr; x = 0.50, 0.55), and RbEuPS4 obtained by molten flux crystal growth","CrystEngComm","2021","23","30","5241","5248","10.1039/D1CE00703C","","","0.71073","MoKα","","0.0837","0.0563","","","0.1174","0.1267","","","","","","1.129","","","","has coordinates","268665","2021-09-06","10:27:44",""
"7243183","9.057","0.0003","17.3059","0.0006","9.4252","0.0003","90","","91.8396","0.0013","90","","1476.54","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Rubidium Sodium Praseodymium Thiophosphate","","- Na0.55 P2 Pr Rb2.45 S8 -","- Na0.551 P2 Pr Rb2.449 S8 -","- Na2.204 P8 Pr4 Rb9.796 S32 -","4","1","","Breton, Logan S.; Smith, Mark D.; zur Loye, Hans-Conrad","Trends in rare earth thiophosphate syntheses: Rb3Ln(PS4)2 (Ln = La, Ce, Pr), Rb3−xNaxLn(PS4)2 (Ln = Ce, Pr; x = 0.50, 0.55), and RbEuPS4 obtained by molten flux crystal growth","CrystEngComm","2021","23","30","5241","5248","10.1039/D1CE00703C","","","0.71073","MoKα","","0.0422","0.0297","","","0.0471","0.0503","","","","","","1.093","","","","has coordinates","268665","2021-09-06","10:27:45",""
"7243184","9.8512","0.0006","6.753","0.0004","11.4321","0.0007","90","","90.241","0.002","90","","760.52","0.08","301","2","301","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Rubidium Cerium Thiophosphate","","- Ce P2 Rb3 S8 -","- Ce P2 Rb3 S8 -","- Ce2 P4 Rb6 S16 -","2","1","","Breton, Logan S.; Smith, Mark D.; zur Loye, Hans-Conrad","Trends in rare earth thiophosphate syntheses: Rb3Ln(PS4)2 (Ln = La, Ce, Pr), Rb3−xNaxLn(PS4)2 (Ln = Ce, Pr; x = 0.50, 0.55), and RbEuPS4 obtained by molten flux crystal growth","CrystEngComm","2021","23","30","5241","5248","10.1039/D1CE00703C","","","0.71073","MoKα","","0.0302","0.0262","","","0.0503","0.0515","","","","","","1.157","","","","has coordinates","268665","2021-09-06","10:27:45",""
"7243185","17.3308","0.0004","6.6787","0.0002","6.4347","0.0001","90","","90","","90","","744.8","0.03","301","2","301","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Eu P Rb S4 -","- Eu P Rb S4 -","- Eu4 P4 Rb4 S16 -","4","0.5","","Breton, Logan S.; Smith, Mark D.; zur Loye, Hans-Conrad","Trends in rare earth thiophosphate syntheses: Rb3Ln(PS4)2 (Ln = La, Ce, Pr), Rb3−xNaxLn(PS4)2 (Ln = Ce, Pr; x = 0.50, 0.55), and RbEuPS4 obtained by molten flux crystal growth","CrystEngComm","2021","23","30","5241","5248","10.1039/D1CE00703C","","","0.71073","MoKα","","0.0263","0.0247","","","0.0638","0.0647","","","","","","1.171","","","","has coordinates","268665","2021-09-06","10:27:45",""
"7243186","9.9053","0.0009","6.7376","0.0006","11.4553","0.001","90","","90.005","0.003","90","","764.5","0.12","291","2","291","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Rubidium Lanthanum Thiophosphate","","- La P2 Rb3 S8 -","- La P2 Rb3 S8 -","- La2 P4 Rb6 S16 -","2","1","","Breton, Logan S.; Smith, Mark D.; zur Loye, Hans-Conrad","Trends in rare earth thiophosphate syntheses: Rb3Ln(PS4)2 (Ln = La, Ce, Pr), Rb3−xNaxLn(PS4)2 (Ln = Ce, Pr; x = 0.50, 0.55), and RbEuPS4 obtained by molten flux crystal growth","CrystEngComm","2021","23","30","5241","5248","10.1039/D1CE00703C","","","0.71073","MoKα","","0.0541","0.0493","","","0.0951","0.0983","","","","","","1.099","","","","has coordinates","268665","2021-09-06","10:27:45",""
"7243187","9.8265","0.0003","6.7613","0.0002","11.4228","0.0004","90","","90.2997","0.0012","90","","758.92","0.04","301","2","301","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Rubidium Praseodymium Thiophosphate","","- P2 Pr Rb3 S8 -","- P2 Pr Rb3 S8 -","- P4 Pr2 Rb6 S16 -","2","1","","Breton, Logan S.; Smith, Mark D.; zur Loye, Hans-Conrad","Trends in rare earth thiophosphate syntheses: Rb3Ln(PS4)2 (Ln = La, Ce, Pr), Rb3−xNaxLn(PS4)2 (Ln = Ce, Pr; x = 0.50, 0.55), and RbEuPS4 obtained by molten flux crystal growth","CrystEngComm","2021","23","30","5241","5248","10.1039/D1CE00703C","","","0.71073","MoKα","","0.0373","0.0329","","","0.0527","0.0541","","","","","","1.181","","","","has coordinates","268665","2021-09-06","10:27:45",""
"7243188","7.1682","0.0007","8.2406","0.0009","29.792","0.003","90","","92.704","0.008","90","","1757.9","0.3","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H24 F8 N6 -","- C44 H24 F8 N6 -","- C88 H48 F16 N12 -","2","0.5","","Wang, Si-Si; Li, Kechang; Ma, Xiaohui; Xue, Pengchong","Acceptor-regulated luminescence in carbazole-based charge transfer complexes","CrystEngComm","2021","23","31","5314","5320","10.1039/D1CE00656H","","x-ray","0.71073","MoKα","","0.0618","0.0436","","","0.0887","0.101","","","","","","1.051","","","","has coordinates","268675","2021-09-06","10:29:49",""
"7243189","15.694","0.005","7.226","0.002","17.313","0.005","90","","95.538","0.007","90","","1954.2","1","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H14 N5 -","- C24 H14 N5 -","- C96 H56 N20 -","4","1","","Wang, Si-Si; Li, Kechang; Ma, Xiaohui; Xue, Pengchong","Acceptor-regulated luminescence in carbazole-based charge transfer complexes","CrystEngComm","2021","23","31","5314","5320","10.1039/D1CE00656H","","","0.71073","MoKα","","0.0887","0.0477","","","0.1191","0.1441","","","","","","1.066","","","","has coordinates","268675","2021-09-06","10:29:50",""
"7243193","7.938","0.0002","13.3534","0.0002","14.1943","0.0002","112.959","0.002","92.287","0.002","96.766","0.001","1369.67","0.05","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C30 H32 N4 O5 S -","- C30 H32 N4 O5 S -","- C60 H64 N8 O10 S2 -","2","1","","Ren, Bo-Ying; Dai, Xia-Lin; Wang, Jie; Wu, Chao; Lu, Tong-Bu; Chen, Jia-Mei","Cocrystallization of axitinib with carboxylic acids: preparation, crystal structures and dissolution behavior","CrystEngComm","2021","23","32","5504","5515","10.1039/D1CE00620G","","x-ray","1.54184","CuKα","","0.0536","0.0517","","","0.1416","0.1438","","","","","","1.09","","","","has coordinates","268652","2021-09-06","10:24:43",""
"7243194","7.8512","0.0001","13.6163","0.0002","14.6035","0.0002","62.989","0.001","82.242","0.001","79.912","0.001","1366.64","0.03","275","4","275","4","","","","","","","","5","P -1","-P 1","2","","","","- C31 H26 N4 O3 S -","- C31 H26 N4 O3 S -","- C62 H52 N8 O6 S2 -","2","1","","Ren, Bo-Ying; Dai, Xia-Lin; Wang, Jie; Wu, Chao; Lu, Tong-Bu; Chen, Jia-Mei","Cocrystallization of axitinib with carboxylic acids: preparation, crystal structures and dissolution behavior","CrystEngComm","2021","23","32","5504","5515","10.1039/D1CE00620G","","x-ray","1.54184","CuKα","","0.0606","0.0573","","","0.1629","0.1673","","","","","","1.084","","","","has coordinates","268652","2021-09-06","10:24:44",""
"7243195","8.1582","0.0003","13.1348","0.0004","13.1911","0.0004","102.579","0.003","105.605","0.003","93.678","0.003","1317.35","0.08","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C28 H24 N4 O7 S -","- C28 H24 N4 O7 S -","- C56 H48 N8 O14 S2 -","2","1","","Ren, Bo-Ying; Dai, Xia-Lin; Wang, Jie; Wu, Chao; Lu, Tong-Bu; Chen, Jia-Mei","Cocrystallization of axitinib with carboxylic acids: preparation, crystal structures and dissolution behavior","CrystEngComm","2021","23","32","5504","5515","10.1039/D1CE00620G","","x-ray","1.54184","CuKα","","0.0509","0.0468","","","0.1258","0.1283","","","","","","1.074","","","","has coordinates","268652","2021-09-06","10:24:44",""
"7243196","3.6879","0.0008","11.923","0.002","9.13","0.0018","90","","97.392","0.019","90","","398.12","0.14","150","","150","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C8 H5 Cl3 O -","- C8 H5 Cl3 O -","- C16 H10 Cl6 O2 -","2","1","","Kusumoto, Sotaro; Sugimoto, Akira; Kosumi, Daisuke; Kim, Yang; Sekine, Yoshihiro; Nakamura, Masaaki; Hayami, Shinya","A plastically bendable and polar organic crystal","CrystEngComm","2021","23","33","5560","5563","10.1039/D1CE00724F","","x-ray","0.71073","MoKα","","0.0427","0.0414","","","0.1016","0.1022","","","","","","1.044","","","","has coordinates","268655","2021-09-06","10:25:45",""
"7243198","15.125","0.002","11.8601","0.0016","21.373","0.003","90","","100.169","0.003","90","","3773.7","0.9","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C88 H102 Cl6 O4 -","- C88 H102 Cl6 O4 -","- C176 H204 Cl12 O8 -","2","0.5","","Tominaga, Masahide; Fujimaru, Kousuke; Hyodo, Tadashi; Yamaguchi, Kentaro","Selective alkane co-inclusion by methylene- and adamantane-bridged macrocycle with biphenyl units","CrystEngComm","2021","23","30","5157","5163","10.1039/D1CE00722J","","","1.54178","CuKα","","0.0882","0.0803","","","0.2208","0.2338","","","","","","1.109","","","","has coordinates,has disorder","268630","2021-09-06","10:15:02",""
"7243199","14.0848","0.0008","13.6156","0.0008","15.0281","0.0009","90","","92.682","0.002","90","","2878.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C75 H73 Cl3 O4 -","- C75 H73 Cl3 O4 -","- C150 H146 Cl6 O8 -","2","0.5","","Tominaga, Masahide; Fujimaru, Kousuke; Hyodo, Tadashi; Yamaguchi, Kentaro","Selective alkane co-inclusion by methylene- and adamantane-bridged macrocycle with biphenyl units","CrystEngComm","2021","23","30","5157","5163","10.1039/D1CE00722J","","","1.54178","CuKα","","0.066","0.0571","","","0.1669","0.1784","","","","","","1.094","","","","has coordinates,has disorder","268630","2021-09-06","10:15:03",""
"7243200","12.6452","0.0017","29.23","0.004","7.4103","0.001","90","","98.251","0.006","90","","2710.6","0.6","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C74 H72 O4 -","- C74 H72 O4 -","- C148 H144 O8 -","2","0.5","","Tominaga, Masahide; Fujimaru, Kousuke; Hyodo, Tadashi; Yamaguchi, Kentaro","Selective alkane co-inclusion by methylene- and adamantane-bridged macrocycle with biphenyl units","CrystEngComm","2021","23","30","5157","5163","10.1039/D1CE00722J","","","1.54178","CuKα","","0.0602","0.0529","","","0.15","0.1565","","","","","","1.038","","","","has coordinates","268630","2021-09-06","10:15:03",""
"7243201","10.238","0.0006","11.9538","0.0007","14.5269","0.0009","100.417","0.003","103.463","0.003","93.348","0.003","1691.08","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C78 H80 Cl8 O4 -","- C78 H80 Cl8 O4 -","- C78 H80 Cl8 O4 -","1","0.5","","Tominaga, Masahide; Fujimaru, Kousuke; Hyodo, Tadashi; Yamaguchi, Kentaro","Selective alkane co-inclusion by methylene- and adamantane-bridged macrocycle with biphenyl units","CrystEngComm","2021","23","30","5157","5163","10.1039/D1CE00722J","","","1.54178","CuKα","","0.0876","0.078","","","0.2327","0.2404","","","","","","1.091","","","","has coordinates","268630","2021-09-06","10:15:03",""
"7243202","7.7495","0.0002","33.5689","0.0008","39.6305","0.0009","68.5122","0.0014","88.362","0.0015","84.7067","0.0016","9551.9","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","M1015F18","","","- C42 H50 N4 S2 -","- C42 H50 N4 S2 -","- C420 H500 N40 S20 -","10","5","","Echeverri, Marcelo; Ruiz, Constanza; Gómez-Lor, Berta","A high contrast mechanochromic luminescent diacetylene-linked bis-benzothiadiazole derivative","CrystEngComm","2021","23","34","5925","5930","10.1039/D1CE00462J","","","0.71073","MoKα","","0.2474","0.0771","","","0.1569","0.2341","","","","","","0.955","","","","has coordinates","268691","2021-09-06","10:33:05",""
"7243241","25.237","0.006","19.307","0.004","15.041","0.003","90","","107.575","0.007","90","","6987","3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H29 N3 O9 Zn2 -","- C40 H24 N3 O9 Zn2 -","- C320 H192 N24 O72 Zn16 -","8","1","","Chuang, Po-Min; Wu, Jing-Yun","A highly stable Zn coordination polymer exhibiting pH-dependent fluorescence and as a visually ratiometric and on‒off fluorescent sensor","CrystEngComm","2021","23","30","5226","5240","10.1039/D1CE00705J","","","0.71073","MoKα","","0.1413","0.0992","","","0.2651","0.2911","","","","","","1.09","","","","has coordinates","268628","2021-09-06","10:12:32",""
"7243242","6.82","0.0003","8.8363","0.0003","26.14","0.0011","90","","90","","90","","1575.29","0.11","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(S)-(1-cyclohexylethyl)ammonium (S)-2-chloromandelate'","(S)-(1-cyclohexylethyl)ammonium (S)-2-(2-chlorophenyl)-2-hydroxyacetate","","- C16 H24 Cl N O3 -","- C16 H24 Cl N O3 -","- C64 H96 Cl4 N4 O12 -","4","1","","Bereczki, Laura; Zodge, Amit; Kőrösi, Márton; Holczbauer, Tamás; De, Sourav; Székely, Edit; Bombicz, Petra","A bug in enantiomer separation: double salt formation ‒ diastereomeric and double salt structures of 1-cyclohexylethylammonium 2- and 4-chloromandelate","CrystEngComm","2021","23","31","5367","5376","10.1039/D1CE00145K","","","0.71075","MoKα","","0.0536","0.0393","","","0.0738","0.0772","","","","","","0.99","","","","has coordinates","268671","2021-09-06","10:29:12",""
"7243243","9.637","0.0002","25.3851","0.0006","13.5859","0.0003","90","","90.277","0.006","90","","3323.56","0.13","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","(S)-(1-cyclohexylethyl)ammonium (R,S)-2-chloromandelate","(S)-(1-cyclohexylethyl)ammonium (R,S)-2-(2-chlorophenyl)-2-hydroxyacetate","","- C16 H24 Cl N O3 -","- C16 H24 Cl N O3 -","- C128 H192 Cl8 N8 O24 -","8","4","","Bereczki, Laura; Zodge, Amit; Kőrösi, Márton; Holczbauer, Tamás; De, Sourav; Székely, Edit; Bombicz, Petra","A bug in enantiomer separation: double salt formation ‒ diastereomeric and double salt structures of 1-cyclohexylethylammonium 2- and 4-chloromandelate","CrystEngComm","2021","23","31","5367","5376","10.1039/D1CE00145K","","","1.54178","CuKα","","0.1228","0.107","","","0.2808","0.301","","","","","","1.023","","","","has coordinates,has disorder","268671","2021-09-06","10:29:12",""
"7243244","10.464","0.0006","10.4673","0.0007","29.8915","0.0016","90","","96.843","0.003","90","","3250.7","0.3","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","(R)-(1-cyclohexylethyl)ammonium (S)-4-chloromandelate'","(R)-(1-cyclohexylethyl)ammonium (S)-2-(4-chlorophenyl)-2-hydroxyacetate","","- C16 H24 Cl N O3 -","- C16 H24 Cl N O3 -","- C128 H192 Cl8 N8 O24 -","8","4","","Bereczki, Laura; Zodge, Amit; Kőrösi, Márton; Holczbauer, Tamás; De, Sourav; Székely, Edit; Bombicz, Petra","A bug in enantiomer separation: double salt formation ‒ diastereomeric and double salt structures of 1-cyclohexylethylammonium 2- and 4-chloromandelate","CrystEngComm","2021","23","31","5367","5376","10.1039/D1CE00145K","","","1.54187","CuKα","","0.0974","0.0908","","","0.1842","0.1879","","","","","","1.136","","","","has coordinates","268671","2021-09-06","10:29:12",""
"7243245","6.7938","0.0003","8.6704","0.0003","27.7144","0.0009","90","","90","","90","","1632.52","0.11","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(R)-(1-cyclohexylethyl)ammonium (R)-2-chloromandelate'","(R)-(1-cyclohexylethyl)ammonium (R)-2-(2-chlorophenyl)-2-hydroxyacetate","","- C16 H24 Cl N O3 -","- C16 H24 Cl N O3 -","- C64 H96 Cl4 N4 O12 -","4","1","","Bereczki, Laura; Zodge, Amit; Kőrösi, Márton; Holczbauer, Tamás; De, Sourav; Székely, Edit; Bombicz, Petra","A bug in enantiomer separation: double salt formation ‒ diastereomeric and double salt structures of 1-cyclohexylethylammonium 2- and 4-chloromandelate","CrystEngComm","2021","23","31","5367","5376","10.1039/D1CE00145K","","","1.54187","CuKα","","0.1422","0.0931","","","0.1968","0.2515","","","","","","1.13","","","","has coordinates","268671","2021-09-06","10:29:12",""
"7243246","24.2266","0.0008","10.0661","0.0008","13.3665","0.0008","90","","92.533","0.001","90","","3256.5","0.3","119","2","119","2","","","","","","","","5","C 1 2 1","C 2y","5","(S)-(1-cyclohexylethyl)ammonium (R,S)-2-chloromandelate","(S)-(1-cyclohexylethyl)ammonium (R,S)-2-(2-chlorophenyl)-2-hydroxyacetate","","- C16 H24 Cl N O3 -","- C16 H24 Cl N O3 -","- C128 H192 Cl8 N8 O24 -","8","2","","Bereczki, Laura; Zodge, Amit; Kőrösi, Márton; Holczbauer, Tamás; De, Sourav; Székely, Edit; Bombicz, Petra","A bug in enantiomer separation: double salt formation ‒ diastereomeric and double salt structures of 1-cyclohexylethylammonium 2- and 4-chloromandelate","CrystEngComm","2021","23","31","5367","5376","10.1039/D1CE00145K","","","1.54178","CuKα","","0.0526","0.0468","","","0.107","0.11","","","","","","1.08","","","","has coordinates","268671","2021-09-06","10:29:12",""
"7243247","9.0572","0.0009","29.711","0.003","12.6381","0.0013","90","","93.337","0.003","90","","3395.1","0.6","143","2","143","2","","","","","","","","5","P 1 21 1","P 2yb","4","(R)-(1-cyclohexylethyl)ammonium (S)-2-chloromandelate'","(R)-(1-cyclohexylethyl)ammonium (S)-2-(2-chlorophenyl)-2-hydroxyacetate","","- C16 H24 Cl N O3 -","- C16 H24 Cl N O3 -","- C128 H192 Cl8 N8 O24 -","8","4","","Bereczki, Laura; Zodge, Amit; Kőrösi, Márton; Holczbauer, Tamás; De, Sourav; Székely, Edit; Bombicz, Petra","A bug in enantiomer separation: double salt formation ‒ diastereomeric and double salt structures of 1-cyclohexylethylammonium 2- and 4-chloromandelate","CrystEngComm","2021","23","31","5367","5376","10.1039/D1CE00145K","","","0.71075","MoKα","","0.1934","0.0934","","","0.1687","0.2376","","","","","","1.018","","","","has coordinates,has disorder","268671","2021-09-06","10:29:12",""
"7243248","25.2017","0.0013","18.1205","0.0012","24.0709","0.001","90","","105.576","0.005","90","","10588.7","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C73 H126 Fe10 N4 Na2 O41 -","- C73 H122 Fe10 N4 Na2 O41 -","- C292 H488 Fe40 N16 Na8 O164 -","4","0.5","","Podgornii, Daniel; van Leusen, Jan; Kravtsov, Victor Ch.; Kögerler, Paul; Baca, Svetlana G.","A {Na2Fe10} isobutyrate cluster, interlinked into 1D chains","CrystEngComm","2021","23","30","5153","5156","10.1039/D1CE00777G","","","0.71073","MoKα","","0.1622","0.0748","","","0.1261","0.1537","","","","","","0.99","","","","has coordinates,has disorder","268629","2021-09-06","10:12:53",""
"7243257","9.9671","0.0003","7.2","0.0003","14.1385","0.0006","90","","92.803","0.003","90","","1013.41","0.07","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","L-Phe.H2O2.0.5H2O","","- C9 H14 N O4.5 -","- C9 H14 N O4.5 -","- C36 H56 N4 O18 -","4","1","","Yamaguchi, Ryota; Tanaka, Rika; Maetani, Mayu; Tabe, Hiroyasu; Yamada, Yusuke","Efficient capturing of hydrogen peroxide in dilute aqueous solution by co-crystallization with amino acids","CrystEngComm","2021","23","32","5456","5462","10.1039/D1CE00688F","","","0.7107","MoKα","","0.0529","0.0505","","","0.1285","0.1325","","","","","","1.096","","","","has coordinates","268648","2021-09-06","10:24:00",""
"7243258","11.6333","0.0003","5.9869","0.0001","28.5029","0.001","90","","90","","90","","1985.15","0.09","200","2","200","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","DL-Phe.H2O2","","- C9 H13 N O3.9675 -","- C9 H13 N O3.9675 -","- C72 H104 N8 O31.74 -","8","2","","Yamaguchi, Ryota; Tanaka, Rika; Maetani, Mayu; Tabe, Hiroyasu; Yamada, Yusuke","Efficient capturing of hydrogen peroxide in dilute aqueous solution by co-crystallization with amino acids","CrystEngComm","2021","23","32","5456","5462","10.1039/D1CE00688F","","","0.7107","MoKα","","0.0446","0.0364","","","0.0836","0.0879","","","","","","1.052","","","","has coordinates,has disorder","268648","2021-09-06","10:24:01",""
"7243259","4.7744","0.0004","7.3961","0.0007","9.8715","0.0006","90.222","0.005","90.124","0.003","101.127","0.006","342.03","0.05","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","DL-Asn.H2O2","","- C4 H10 N2 O5 -","- C4 H10 N2 O5 -","- C8 H20 N4 O10 -","2","1","","Yamaguchi, Ryota; Tanaka, Rika; Maetani, Mayu; Tabe, Hiroyasu; Yamada, Yusuke","Efficient capturing of hydrogen peroxide in dilute aqueous solution by co-crystallization with amino acids","CrystEngComm","2021","23","32","5456","5462","10.1039/D1CE00688F","","","0.7107","MoKα","","0.043","0.0371","","","0.0865","0.0919","","","","","","1.045","","","","has coordinates","268648","2021-09-06","10:24:01",""
"7243260","5.571","0.002","9.766","0.004","11.738","0.004","90","","90","","90","","638.6","0.4","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-Asn.H2O","","- C4 H10 N2 O4 -","- C4 H10 N2 O4 -","- C16 H40 N8 O16 -","4","1","","Yamaguchi, Ryota; Tanaka, Rika; Maetani, Mayu; Tabe, Hiroyasu; Yamada, Yusuke","Efficient capturing of hydrogen peroxide in dilute aqueous solution by co-crystallization with amino acids","CrystEngComm","2021","23","32","5456","5462","10.1039/D1CE00688F","","","0.7107","MoKα","","0.0301","0.0294","","","0.0775","0.0784","","","","","","1.067","","","","has coordinates","268648","2021-09-06","10:24:01",""
"7243261","15.502","0.002","7.5316","0.0011","19.141","0.003","90","","102.593","0.004","90","","2181","0.5","273","2","273.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- F12 H48 N10 O30 P6 Zr6 -","- F12 H48 N10 O30 P6 Zr6 -","- F24 H96 N20 O60 P12 Zr12 -","2","0.5","","Yu, Jing-Wei; Yu, Hai-Jiao; Yao, Zhi-Yuan; Li, Zi-Han; Ren, Qiu; Luo, Hong-Bin; Zou, Yang; Wang, Lifeng; Ren, Xiao-Ming","A water-stable open-framework zirconium(iv) phosphate and its water-assisted high proton conductivity","CrystEngComm","2021","23","35","6093","6097","10.1039/D1CE00852H","","","0.71073","MoKα","","0.0349","0.0315","","","0.1019","0.1046","","","","","","1.078","","","","has coordinates","269685","2021-10-06","14:53:20",""
"7243262","6.7098","0.0002","21.4689","0.0008","9.428","0.0002","90","","91.889","0.002","90","","1357.38","0.07","100","0.2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Cu1-net]","","","- C30 H30 Cu N4 O8 -","- C30 H30 Cu N4 O8 -","- C60 H60 Cu2 N8 O16 -","2","0.5","","Fugu, Mohammed B.; Coley, Joe; Dickinson, Isabella F.; Orton, James B.; Klooster, Wim; Gleeson, M. Paul; Jones, Leigh F.","Slight ligand modifications within multitopic linear hydroxamates promotes connectivity differences in Cu(ii) 1-D coordination polymers","CrystEngComm","2021","23","32","5531","5539","10.1039/D1CE00807B","","","0.71073","MoKα","","0.0509","0.0481","","","0.1099","0.1113","","","","","","1.303","","","","has coordinates","268651","2021-09-06","10:24:36",""
"7243263","8.6156","0.0001","11.3142","0.0001","14.8436","0.0002","90","","100.887","0.001","90","","1420.89","0.03","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Cu]n-2","","","- C30 H34 Cu N4 O8 -","- C30 H34 Cu N4 O8 -","- C60 H68 Cu2 N8 O16 -","2","0.5","","Fugu, Mohammed B.; Coley, Joe; Dickinson, Isabella F.; Orton, James B.; Klooster, Wim; Gleeson, M. Paul; Jones, Leigh F.","Slight ligand modifications within multitopic linear hydroxamates promotes connectivity differences in Cu(ii) 1-D coordination polymers","CrystEngComm","2021","23","32","5531","5539","10.1039/D1CE00807B","","","0.71073","MoKα","","0.043","0.0424","","","0.1401","0.1406","","","","","","1.138","","","","has coordinates","268651","2021-09-06","10:24:36",""
"7243269","13.506","0.005","17.59","0.004","18.041","0.006","90","","97.01","0.02","90","","4254","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C69 H65 N27 O23 Zn4 -","- C69 H65 N27 O23 Zn4 -","- C138 H130 N54 O46 Zn8 -","2","0.5","","Zhou, Yan; Han, Lei; Chen, Wen-Jie","Inter-ligand charge-transfer interactions in a photochromic and redox active zinc–organic framework","CrystEngComm","2021","23","35","5982","5988","10.1039/D1CE00689D","","","0.71073","MoKα","","0.1743","0.0682","","","0.124","0.146","","","","","","1.023","","","","has coordinates","269690","2021-10-06","14:54:30",""
"7243272","10.3161","0.0003","14.7176","0.0004","16.3208","0.0004","90","","98.968","0.003","90","","2447.67","0.12","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H21 Co N4 O5 -","- C29 H21 Co N4 O5 -","- C116 H84 Co4 N16 O20 -","4","1","","Zhao, Dongsheng; Song, Junqi; Zhang, Xiutang; Wang, Feng; Li, Bei; Yang, Lulu; Deng, Yuxin; Li, Qingbo; Fan, Liming","A pillar-layered binuclear 3D cobalt(ii) coordination polymer as an electrocatalyst for overall water splitting and as a chemosensor for Cr(vi) anion detection","CrystEngComm","2021","23","36","6245","6252","10.1039/D1CE00685A","","","0.71073","MoKα","","0.0644","0.0465","","","0.1172","0.1276","","","","","","1.044","","","","has coordinates","269675","2021-10-06","14:51:14",""
"7243273","4.928","0.0003","17.0736","0.0011","16.567","0.0011","90","","91.691","0.001","90","","1393.32","0.15","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Hg I2 N4 O -","- C10 H8 Hg I2 N4 O -","- C40 H32 Hg4 I8 N16 O4 -","4","1","","Nezhadali Baghan, Zahra; Salimi, Alireza; Eshtiagh-Hosseini, Hossein; Oliver, Allen G.","Hydrogen bond synthons affect the coordination geometry of d10-metal halide complexes: synthetic methods, theoretical studies, and supramolecular architectures","CrystEngComm","2021","23","36","6276","6290","10.1039/D1CE00747E","","","0.71073","MoKα","","0.0205","0.0171","","","0.0315","0.0322","","","","","","1.115","","","","has coordinates","269682","2021-10-06","14:52:46",""
"7243274","19.052","0.002","59.023","0.007","4.0392","0.0005","90","","90","","90","","4542.1","0.9","120","2","120","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C20 H16 Cd I2 N8 O2 -","- C20 H16 Cd I2 N8 O2 -","- C160 H128 Cd8 I16 N64 O16 -","8","0.5","","Nezhadali Baghan, Zahra; Salimi, Alireza; Eshtiagh-Hosseini, Hossein; Oliver, Allen G.","Hydrogen bond synthons affect the coordination geometry of d10-metal halide complexes: synthetic methods, theoretical studies, and supramolecular architectures","CrystEngComm","2021","23","36","6276","6290","10.1039/D1CE00747E","","","0.71073","MoKα","","0.025","0.0244","","","0.0655","0.0656","","","","","","1.467","","","","has coordinates","269682","2021-10-06","14:52:46",""
"7243275","3.9055","0.0004","34.576","0.003","9.6848","0.0009","90","","101.416","0.001","90","","1281.9","0.2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H8 Br2 Hg N4 O -","- C10 H8 Br2 Hg N4 O -","- C40 H32 Br8 Hg4 N16 O4 -","4","1","","Nezhadali Baghan, Zahra; Salimi, Alireza; Eshtiagh-Hosseini, Hossein; Oliver, Allen G.","Hydrogen bond synthons affect the coordination geometry of d10-metal halide complexes: synthetic methods, theoretical studies, and supramolecular architectures","CrystEngComm","2021","23","36","6276","6290","10.1039/D1CE00747E","","","0.71073","MoKα","","0.0299","0.025","","","0.0421","0.0431","","","","","","1.153","","","","has coordinates","288154","2023-12-07","16:16:26",""
"7243276","3.8092","0.0004","33.691","0.004","9.6053","0.0011","90","","100.534","0.0015","90","","1211.9","0.2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Cl2 Hg N4 O -","- C10 H8 Cl2 Hg N4 O -","- C40 H32 Cl8 Hg4 N16 O4 -","4","1","","Nezhadali Baghan, Zahra; Salimi, Alireza; Eshtiagh-Hosseini, Hossein; Oliver, Allen G.","Hydrogen bond synthons affect the coordination geometry of d10-metal halide complexes: synthetic methods, theoretical studies, and supramolecular architectures","CrystEngComm","2021","23","36","6276","6290","10.1039/D1CE00747E","","","0.71073","MoKα","","0.0272","0.0224","","","0.0395","0.0407","","","","","","1.12","","","","has coordinates","269682","2021-10-06","14:52:46",""
"7243277","7.5409","0.0007","11.8032","0.0011","13.1436","0.0013","79.856","0.001","89.98","0.001","74.499","0.001","1108.35","0.18","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H16 Cl2 N8 O2 Zn -","- C20 H16 Cl2 N8 O2 Zn -","- C40 H32 Cl4 N16 O4 Zn2 -","2","1","","Nezhadali Baghan, Zahra; Salimi, Alireza; Eshtiagh-Hosseini, Hossein; Oliver, Allen G.","Hydrogen bond synthons affect the coordination geometry of d10-metal halide complexes: synthetic methods, theoretical studies, and supramolecular architectures","CrystEngComm","2021","23","36","6276","6290","10.1039/D1CE00747E","","","0.71073","MoKα","","0.0318","0.0254","","","0.0576","0.0601","","","","","","1.042","","","","has coordinates","269682","2021-10-06","14:52:46",""
"7243285","11.0881","0.0002","33.6789","0.0005","12.0491","0.0002","90","","108.137","0.002","90","","4275.99","0.13","169.99","0.1","170.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","tetrakis(((aquo)-N-(2-oxo-3-hydroxybenzylidene)isonicotinylhydrazonato)dioxomolybdenum(vi)) octamolybdate acetonitrile solvate hydrate","","- C56 H62 Mo12 N14 O54 -","- C56 H62 Mo12 N14 O54 -","- C112 H124 Mo24 N28 O108 -","2","0.5","","Bebić, Nikol; Topić, Edi; Mandarić, Mirna; Hrenar, Tomica; Vrdoljak, Višnja","Extending the structural landscape of Mo(vi) hydrazonato inorganic–organic POM-hybrids: an experimental and computational study","CrystEngComm","2021","23","36","6349","6358","10.1039/D1CE00861G","","","1.54184","CuKα","","0.0503","0.0443","","","0.1281","0.1324","","","","","","1.094","","","","has coordinates","269676","2021-10-06","14:51:41",""
"7243286","7.9678","0.0003","10.7556","0.0006","18.9607","0.0007","83.396","0.004","83.567","0.003","73.581","0.004","1542.89","0.12","150","","150","","","","","","","","","5","P -1","-P 1","2","","bis((aquo)-dioxo-(N-(2-oxy-4-hydroxybenzylidene)isonicotinylhydrazonium)-molybdenum(vi)) octamolybdate acetonitrile solvate hydrate","","- C34 H42 Mo10 N10 O40 -","- C34 H42 Mo10 N10 O40 -","- C34 H42 Mo10 N10 O40 -","1","0.5","","Bebić, Nikol; Topić, Edi; Mandarić, Mirna; Hrenar, Tomica; Vrdoljak, Višnja","Extending the structural landscape of Mo(vi) hydrazonato inorganic–organic POM-hybrids: an experimental and computational study","CrystEngComm","2021","23","36","6349","6358","10.1039/D1CE00861G","","","0.71073","MoKα","","0.0639","0.0416","","","0.0873","0.1026","","","","","","1.074","","","","has coordinates,has disorder","269676","2021-10-06","14:51:41",""
"7243287","9.4085","0.0004","16.2433","0.0005","17.3878","0.0004","116.276","0.003","95.232","0.003","93.035","0.003","2359.8","0.15","169.99","0.1","170.15","","","","","","","","","5","P -1","-P 1","2","","bis((aquo)-dioxo-(N-(2-oxy-4-hydroxybenzylidene)isonicotinylhydrazonium)-molybdenum(vi)) octamolybdate acetonitrile solvate hydrate","","- C56 H74 Mo12 N14 O60 -","- C56 H74 Mo12 N14 O60 -","- C56 H74 Mo12 N14 O60 -","1","0.5","","Bebić, Nikol; Topić, Edi; Mandarić, Mirna; Hrenar, Tomica; Vrdoljak, Višnja","Extending the structural landscape of Mo(vi) hydrazonato inorganic–organic POM-hybrids: an experimental and computational study","CrystEngComm","2021","23","36","6349","6358","10.1039/D1CE00861G","","","1.54184","CuKα","","0.0536","0.0515","","","0.1461","0.1482","","","","","","1.09","","","","has coordinates","269676","2021-10-06","14:51:41",""
"7243288","9.3622","0.0007","10.7026","0.0009","15.853","0.001","106.074","0.006","92.475","0.006","107.934","0.007","1437.8","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","bis((acetonitrile)-dioxo-(N-(2-oxy-4-hydroxybenzylidene)isonicotinylhydrazonato)-molybdenum(vi)) hexamolybdate acetonitrile solvate","","- C38 H38 Mo8 N12 O29 -","- C38 H38 Mo8 N12 O29 -","- C38 H38 Mo8 N12 O29 -","1","0.5","","Bebić, Nikol; Topić, Edi; Mandarić, Mirna; Hrenar, Tomica; Vrdoljak, Višnja","Extending the structural landscape of Mo(vi) hydrazonato inorganic–organic POM-hybrids: an experimental and computational study","CrystEngComm","2021","23","36","6349","6358","10.1039/D1CE00861G","","","0.71073","MoKα","","0.1813","0.0738","","","0.103","0.1375","","","","","","0.985","","","","has coordinates","269676","2021-10-06","14:51:41",""
"7243289","10.8617","0.0004","10.9074","0.0004","13.8765","0.0006","97.652","0.003","107.915","0.003","114.577","0.004","1356.26","0.12","150","","150","","","","","","","","","5","P -1","-P 1","2","","bis((aquo)-dioxo-(N-(2-oxy-4-methoxybenzylidene)isonicotinylhydrazonato)-molybdenum(vi)) hexamolybdate acetonitrile solvate","","- C36 H40 Mo8 N10 O31 -","- C36 H40 Mo8 N10 O31 -","- C36 H40 Mo8 N10 O31 -","1","0.5","","Bebić, Nikol; Topić, Edi; Mandarić, Mirna; Hrenar, Tomica; Vrdoljak, Višnja","Extending the structural landscape of Mo(vi) hydrazonato inorganic–organic POM-hybrids: an experimental and computational study","CrystEngComm","2021","23","36","6349","6358","10.1039/D1CE00861G","","","0.71073","MoKα","","0.0464","0.0335","","","0.0772","0.0847","","","","","","1.136","","","","has coordinates","269676","2021-10-06","14:51:42",""
"7243290","7.5406","0.0006","8.665","0.0015","17.325","0.003","103.429","0.014","90.359","0.009","89.999","0.01","1101","0.3","298","","298","","","","","","","","","5","P -1","-P 1","2","","[bis-(N'-(2-oxo-3-methoxybenzylidene)isonicotinoylhydrazonato)tetraoxodimolybdenum(vi) hexamolybdate","","- C28 H24 Mo8 N6 O29 -","- C28 H24 Mo8 N6 O29 -","- C28 H24 Mo8 N6 O29 -","1","0.5","","Bebić, Nikol; Topić, Edi; Mandarić, Mirna; Hrenar, Tomica; Vrdoljak, Višnja","Extending the structural landscape of Mo(vi) hydrazonato inorganic–organic POM-hybrids: an experimental and computational study","CrystEngComm","2021","23","36","6349","6358","10.1039/D1CE00861G","","x-ray","0.71073","MoKα","","0.1783","0.0765","","","0.1486","0.1747","","","","","","0.78","","","","has coordinates","269676","2021-10-06","14:51:42",""
"7243291","10.2611","0.0002","10.5249","0.0002","15.9967","0.0002","100.373","0.001","104.041","0.002","106.41","0.002","1549.28","0.06","169.99","0.1","170.15","","","","","","","","","5","P -1","-P 1","2","","[N-(2-oxo-4-methoxybenzylidene)isonicotinoylhydrazonato](aqua)dioxomolybdenum(vi) octamolybdate acetonitrile solvate hydrate","","- C34 H47 Mo10 N9 O42 -","- C34 H47 Mo10 N9 O42 -","- C34 H47 Mo10 N9 O42 -","1","0.5","","Bebić, Nikol; Topić, Edi; Mandarić, Mirna; Hrenar, Tomica; Vrdoljak, Višnja","Extending the structural landscape of Mo(vi) hydrazonato inorganic–organic POM-hybrids: an experimental and computational study","CrystEngComm","2021","23","36","6349","6358","10.1039/D1CE00861G","","","1.54184","CuKα","","0.0368","0.0342","","","0.0927","0.0944","","","","","","1.087","","","","has coordinates,has disorder","269676","2021-10-06","14:51:42",""
"7243292","7.6794","0.0002","9.3605","0.0003","29.2326","0.0009","90","","89.706","0.003","90","","2101.3","0.11","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis((aquo)-dioxo-(N-(2-oxy-3-hydroxybenzylidene)isonicotinylhydrazonato)-molybdenum(vi)) hexamolybdate","","- C26 H24 Mo8 N6 O31 -","- C26 H24 Mo8 N6 O31 -","- C52 H48 Mo16 N12 O62 -","2","0.5","","Bebić, Nikol; Topić, Edi; Mandarić, Mirna; Hrenar, Tomica; Vrdoljak, Višnja","Extending the structural landscape of Mo(vi) hydrazonato inorganic–organic POM-hybrids: an experimental and computational study","CrystEngComm","2021","23","36","6349","6358","10.1039/D1CE00861G","","","0.71073","MoKα","","0.0827","0.0525","","","0.0952","0.1056","","","","","","1.089","","","","has coordinates","269676","2021-10-06","14:51:42",""
"7243293","10.5703","0.0002","11.3121","0.0002","14.2003","0.0002","107.159","0.001","102.412","0.001","105.877","0.002","1477.54","0.05","169.98","0.1","170.15","","","","","","","","","5","P -1","-P 1","2","","[N-(2-oxo-4-methoxybenzylidene)isonicotinoylhydrazonato](aqua)dioxomolybdenum(vi) octamolybdate acetonitrile solvate hydrate","","- C32 H42 Mo10 N8 O41 -","- C32 H42 Mo10 N8 O41 -","- C32 H42 Mo10 N8 O41 -","1","0.5","","Bebić, Nikol; Topić, Edi; Mandarić, Mirna; Hrenar, Tomica; Vrdoljak, Višnja","Extending the structural landscape of Mo(vi) hydrazonato inorganic–organic POM-hybrids: an experimental and computational study","CrystEngComm","2021","23","36","6349","6358","10.1039/D1CE00861G","","","1.54184","CuKα","","0.0353","0.0315","","","0.0835","0.085","","","","","","1.105","","","","has coordinates,has disorder","269676","2021-10-06","14:51:42",""
"7243294","21.0479","0.0004","8.6686","0.0002","29.2039","0.0005","90","","95.92","0.002","90","","5300","0.18","169.98","0.1","170.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","[N'-(2-oxo-4-hydroxybenzylidene)isonicotinoylhydrazonato](acetonitrile)dioxomolybdenum(vi) hexamolybdate acetonitrile solvate","","- C34 H32 Mo8 N10 O29 -","- C34 H32 Mo8 N10 O29 -","- C136 H128 Mo32 N40 O116 -","4","0.5","","Bebić, Nikol; Topić, Edi; Mandarić, Mirna; Hrenar, Tomica; Vrdoljak, Višnja","Extending the structural landscape of Mo(vi) hydrazonato inorganic–organic POM-hybrids: an experimental and computational study","CrystEngComm","2021","23","36","6349","6358","10.1039/D1CE00861G","","","1.54184","CuKα","","0.0442","0.0418","","","0.1177","0.1208","","","","","","1.081","","","","has coordinates","269676","2021-10-06","14:51:42",""
"7243295","10.6395","0.0003","13.2614","0.0004","14.0523","0.0004","94.619","0.002","90.613","0.002","93.445","0.002","1972.45","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H36 Eu N7 O19 -","- C34 H36 Eu N7 O19 -","- C68 H72 Eu2 N14 O38 -","2","1","","Rai, Sunil K.; Baidya, Debjani; Nangia, Ashwini K.","Salts, solvates and hydrates of the multi-kinase inhibitor drug pazopanib with hydroxybenzoic acids","CrystEngComm","2021","23","35","5994","6011","10.1039/D1CE00785H","","x-ray","0.71073","MoKα","","0.04","0.0286","","","0.0538","0.0564","","","","","","1.03","","","","has coordinates","269693","2021-10-06","14:55:21",""
"7243296","10.5802","0.0008","14.8763","0.001","15.6669","0.0011","64.083","0.007","86.853","0.006","72.573","0.007","2107.8","0.3","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H41 Co N10 O11 -","- C40 H41 Co N10 O11 -","- C80 H82 Co2 N20 O22 -","2","1","","Rai, Sunil K.; Baidya, Debjani; Nangia, Ashwini K.","Salts, solvates and hydrates of the multi-kinase inhibitor drug pazopanib with hydroxybenzoic acids","CrystEngComm","2021","23","35","5994","6011","10.1039/D1CE00785H","","x-ray","0.71073","MoKα","","0.0885","0.0493","","","0.1086","0.1195","","","","","","1.034","","","","has coordinates","269693","2021-10-06","14:55:21",""
"7243297","10.2652","0.0002","20.5445","0.0004","39.9674","0.0008","90","","96.8","0.001","90","","8369.6","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C75 H80 Co Eu2 N17 O32 -","- C75 H80 Co Eu2 N17 O32 -","- C300 H320 Co4 Eu8 N68 O128 -","4","1","","Rai, Sunil K.; Baidya, Debjani; Nangia, Ashwini K.","Salts, solvates and hydrates of the multi-kinase inhibitor drug pazopanib with hydroxybenzoic acids","CrystEngComm","2021","23","35","5994","6011","10.1039/D1CE00785H","","","1.54178","CuKα","","0.078","0.0538","","","0.1251","0.1372","","","","","","1.012","","","","has coordinates","269693","2021-10-06","14:55:21",""
"7243298","10.6395","0.0003","13.2614","0.0004","14.0523","0.0004","94.619","0.002","90.613","0.002","93.445","0.002","1972.45","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H36 Eu N7 O19 -","- C34 H36 Eu N7 O19 -","- C68 H72 Eu2 N14 O38 -","2","1","","Wang, Yi-Wen; Li, Meng-Hua; Zhang, Shu-Quan; Fang, Xin; Lin, Mei-Jin","Photochromic and photocontrolled luminescent rare-earth D–A hybrid crystals based on rigid viologen acceptors","CrystEngComm","2021","23","36","6267","6275","10.1039/D1CE00789K","","x-ray","0.71073","MoKα","","0.04","0.0286","","","0.0538","0.0564","","","","","","1.03","","","","has coordinates","269677","2021-10-06","14:52:00",""
"7243299","10.5802","0.0008","14.8763","0.001","15.6669","0.0011","64.083","0.007","86.853","0.006","72.573","0.007","2107.8","0.3","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H41 Co N10 O11 -","- C40 H41 Co N10 O11 -","- C80 H82 Co2 N20 O22 -","2","1","","Wang, Yi-Wen; Li, Meng-Hua; Zhang, Shu-Quan; Fang, Xin; Lin, Mei-Jin","Photochromic and photocontrolled luminescent rare-earth D–A hybrid crystals based on rigid viologen acceptors","CrystEngComm","2021","23","36","6267","6275","10.1039/D1CE00789K","","x-ray","0.71073","MoKα","","0.0885","0.0493","","","0.1086","0.1195","","","","","","1.034","","","","has coordinates","269677","2021-10-06","14:52:00",""
"7243300","10.2652","0.0002","20.5445","0.0004","39.9674","0.0008","90","","96.8","0.001","90","","8369.6","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C75 H80 Co Eu2 N17 O32 -","- C75 H80 Co Eu2 N17 O32 -","- C300 H320 Co4 Eu8 N68 O128 -","4","1","","Wang, Yi-Wen; Li, Meng-Hua; Zhang, Shu-Quan; Fang, Xin; Lin, Mei-Jin","Photochromic and photocontrolled luminescent rare-earth D–A hybrid crystals based on rigid viologen acceptors","CrystEngComm","2021","23","36","6267","6275","10.1039/D1CE00789K","","","1.54178","CuKα","","0.078","0.0538","","","0.1251","0.1372","","","","","","1.012","","","","has coordinates","269677","2021-10-06","14:52:00",""
"7243301","6.3273","0.0004","12.3383","0.0007","29.2787","0.0016","90","","95.255","0.002","90","","2276.1","0.2","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 N2 O6 S2 -","- C22 H28 N2 O6 S2 -","- C88 H112 N8 O24 S8 -","4","1","","Wu, Yanhui; Hao, Xiujia; Li, Jianting; Guan, Aiying; Zhou, Zhengzheng; Guo, Fang","New insight into improving the solubility of poorly soluble drugs by preventing the formation of their hydrogen-bonds: a case of dapsone salts with camphorsulfonic and 5-sulfosalicylic acid","CrystEngComm","2021","23","35","6191","6198","10.1039/D1CE00847A","","","0.71076","MoKα","","0.0943","0.0821","","","0.1799","0.1853","","","","","","1.223","","","","has coordinates","269688","2021-10-06","14:54:12",""
"7243302","39.252","0.005","13.2429","0.0016","11.3983","0.0015","90","","103.326","0.003","90","","5765.4","1.3","298","2","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H24 N2 O14 S3 -","- C26 H24 N2 O14 S3 -","- C208 H192 N16 O112 S24 -","8","1","","Wu, Yanhui; Hao, Xiujia; Li, Jianting; Guan, Aiying; Zhou, Zhengzheng; Guo, Fang","New insight into improving the solubility of poorly soluble drugs by preventing the formation of their hydrogen-bonds: a case of dapsone salts with camphorsulfonic and 5-sulfosalicylic acid","CrystEngComm","2021","23","35","6191","6198","10.1039/D1CE00847A","","","0.71073","MoKα","","0.0741","0.0626","","","0.1554","0.1612","","","","","","1.125","","","","has coordinates","269688","2021-10-06","14:54:12",""
"7243304","16.724","0.002","15.302","0.002","7.6345","0.001","90","","90","","90","","1953.7","0.4","119.91","","119.91","","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C18 H16 B F2 I2 N3 -","- C18 H16 B F2 I2 N3 -","- C72 H64 B4 F8 I8 N12 -","4","0.25","","Özcan, Emrah; Dedeoglu, Burcu; Chumakov, Yurii; Zorlu, Yunus; Çoşut, Bünyemin; Ayhan, Mehmet Menaf","Modulation of supramolecular self-assembly of BODIPY tectons via halogen bonding","CrystEngComm","2021","23","36","6365","6375","10.1039/D1CE00862E","","","0.71073","MoKα","","0.0309","0.0298","","","0.079","0.0798","","","","","","1.127","","","","has coordinates,has disorder","269684","2021-10-06","14:53:13",""
"7243305","10.8154","0.0006","15.2133","0.0009","16.0136","0.0008","64.677","0.003","83.593","0.003","75.477","0.003","2305.5","0.2","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H21 B F2 I N3 -","- C24 H21 B F2 I N3 -","- C96 H84 B4 F8 I4 N12 -","4","2","","Özcan, Emrah; Dedeoglu, Burcu; Chumakov, Yurii; Zorlu, Yunus; Çoşut, Bünyemin; Ayhan, Mehmet Menaf","Modulation of supramolecular self-assembly of BODIPY tectons via halogen bonding","CrystEngComm","2021","23","36","6365","6375","10.1039/D1CE00862E","","","0.71073","MoKα","","0.1079","0.0805","","","0.2111","0.2206","","","","","","1.069","","","","has coordinates,has disorder","269684","2021-10-06","14:53:13",""
"7243306","16.712","0.0011","7.8829","0.0004","34.6268","0.0019","90","","90","","90","","4561.7","0.5","296","2","296.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C24 H21 B F2 I N3 -","- C24 H21 B F2 I N3 -","- C192 H168 B8 F16 I8 N24 -","8","2","","Özcan, Emrah; Dedeoglu, Burcu; Chumakov, Yurii; Zorlu, Yunus; Çoşut, Bünyemin; Ayhan, Mehmet Menaf","Modulation of supramolecular self-assembly of BODIPY tectons via halogen bonding","CrystEngComm","2021","23","36","6365","6375","10.1039/D1CE00862E","","","0.71073","MoKα","","0.0639","0.0417","","","0.0925","0.1002","","","","","","1.043","","","","has coordinates","269684","2021-10-06","14:53:13",""
"7243307","13.2078","0.001","7.3883","0.0005","13.6241","0.0009","90","","110.544","0.003","90","","1244.93","0.15","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 Br2 F8 -","- C12 Br2 F8 -","- C48 Br8 F32 -","4","1","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0289","0.0222","","","0.0459","0.049","","","","","","1.0562","","","","has coordinates","269695","2021-10-06","15:00:29",""
"7243308","13.857","0.0006","13.7638","0.0006","11.5041","0.0005","90","","104.737","0.002","90","","2121.94","0.16","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H12 F8 I2 N2 -","- C20 H12 F8 I2 N2 -","- C80 H48 F32 I8 N8 -","4","0.5","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0186","0.0164","","","0.0389","0.041","","","","","","1.0477","","","","has coordinates","269695","2021-10-06","15:00:38",""
"7243309","6.8796","0.0006","7.4209","0.0006","9.2086","0.0008","82.848","0.003","82.965","0.003","75.554","0.003","449.67","0.07","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H12 Br2 F4 N2 -","- C18 H12 Br2 F4 N2 -","- C18 H12 Br2 F4 N2 -","1","0.5","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0294","0.0258","","","0.0682","0.072","","","","","","1.054","","","","has coordinates","269695","2021-10-06","15:00:40",""
"7243310","5.7357","0.0001","6.2412","0.0001","10.6257","0.0001","86.11","0.001","74.656","0.001","77.418","0.001","357.986","0.009","106","8","106","8","","","","","","","","5","P -1","-P 1","2","","","","- C12 H8 F4 I2 N2 -","- C12 H8 F4 I2 N2 -","- C12 H8 F4 I2 N2 -","1","0.5","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","x-ray","0.71073","MoKα","","0.021","0.0173","","","0.0373","0.0418","","","","","","1.0986","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243311","8.0424","0.0004","7.0976","0.0004","33.8513","0.0017","90","","94.497","0.002","90","","1926.34","0.17","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H6 Br2 F8 N2 -","- C20 H6 Br2 F8 N2 -","- C80 H24 Br8 F32 N8 -","4","1","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0521","0.0341","","","0.0812","0.0928","","","","","","1.0666","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243312","7.3598","0.0005","11.2484","0.0008","13.8819","0.001","88.308","0.003","78.403","0.002","76.782","0.002","1095.78","0.13","100","2","100.01","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H10 Br2 F8 N2 -","- C24 H10 Br2 F8 N2 -","- C48 H20 Br4 F16 N4 -","2","1","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0359","0.0288","","","0.0586","0.0605","","","","","","1.0766","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243313","7.9217","0.0005","11.1526","0.0009","12.8382","0.001","105.19","0.004","107.58","0.002","90.334","0.003","1039.01","0.14","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H8 F8 I2 N2 -","- C22 H8 F8 I2 N2 -","- C44 H16 F16 I4 N4 -","2","1","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0613","0.0453","","","0.0884","0.0951","","","","","","1.0647","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243314","4.8003","0.0002","6.6036","0.0002","10.9521","0.0004","83.796","0.003","84.121","0.003","79.072","0.003","337.69","0.02","106","8","106","8","","","","","","","","5","P -1","-P 1","2","","","","- C12 H8 Br2 F4 N2 -","- C12 H8 Br2 F4 N2 -","- C12 H8 Br2 F4 N2 -","1","0.5","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","x-ray","0.71073","MoKα","","0.0329","0.028","","","0.0614","0.0626","","","","","","1.0432","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243315","12.9213","0.0006","12.3927","0.0006","11.7294","0.0005","90","","90","","90","","1878.23","0.15","100.01","","100.01","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H8 Br2 F8 N2 -","- C18 H8 Br2 F8 N2 -","- C72 H32 Br8 F32 N8 -","4","1","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0309","0.0216","","","0.0447","0.0473","","","","","","1.007","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243316","7.7281","0.0002","7.6981","0.0003","36.2272","0.0013","90","","91.551","0.001","90","","2154.43","0.13","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H8 F8 I2 N2 -","- C22 H8 F8 I2 N2 -","- C88 H32 F32 I8 N8 -","4","1","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0299","0.0249","","","0.0495","0.0518","","","","","","1.0663","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243317","13.3837","0.0009","13.8699","0.001","11.1754","0.0008","90","","102.784","0.003","90","","2023.1","0.2","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H12 Br2 F8 N2 -","- C20 H12 Br2 F8 N2 -","- C80 H48 Br8 F32 N8 -","4","0.5","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0179","0.0162","","","0.0412","0.0421","","","","","","1.0309","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243318","7.776","0.0004","10.0737","0.0006","14.895","0.0009","81.781","0.002","78.26","0.002","83.082","0.002","1125.59","0.11","100.01","","100.01","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H12 Br2 F8 N2 -","- C24 H12 Br2 F8 N2 -","- C48 H24 Br4 F16 N4 -","2","1","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0235","0.0193","","","0.0468","0.0491","","","","","","1.0529","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243319","7.0459","0.0003","14.8959","0.0006","11.1802","0.0005","90","","102.71","0.0015","90","","1144.66","0.08","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 Br2 F4 N4 -","- C22 H24 Br2 F4 N4 -","- C44 H48 Br4 F8 N8 -","2","0.5","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0366","0.0277","","","0.0593","0.0658","","","","","","1.0569","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243320","7.4148","0.0005","11.4097","0.0007","21.198","0.0012","90.035","0.002","90.01","0.002","107.163","0.002","1713.5","0.18","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H10 Br4 F16 N2 -","- C36 H10 Br4 F16 N2 -","- C72 H20 Br8 F32 N4 -","2","1","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0319","0.0243","","","0.0529","0.0565","","","","","","1.0571","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243321","7.7409","0.0004","11.2944","0.0006","12.7419","0.0008","73.313","0.002","72.443","0.002","89.944","0.002","1012.9","0.1","150","2","150.15","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H8 Br2 F8 N2 -","- C22 H8 Br2 F8 N2 -","- C44 H16 Br4 F16 N4 -","2","1","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0785","0.0554","","","0.1159","0.1231","","","","","","1.0489","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243322","11.499","0.001","6.267","0.0005","19.965","0.0018","90","","98.291","0.003","90","","1423.7","0.2","100.01","","100.01","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H6 Br2 F4 N2 -","- C14 H6 Br2 F4 N2 -","- C56 H24 Br8 F16 N8 -","4","1","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.029","0.0208","","","0.0463","0.0523","","","","","","1.066","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243323","13.5292","0.0011","10.9229","0.0008","14.122","0.001","90","","108.47","0.003","90","","1979.4","0.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H12 F8 I2 N2 -","- C18 H12 F8 I2 N2 -","- C72 H48 F32 I8 N8 -","4","1","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0223","0.0191","","","0.0436","0.047","","","","","","1.0544","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243324","7.9651","0.0005","10.8942","0.0007","14.4024","0.001","108.756","0.002","105.483","0.002","90.273","0.003","1134.8","0.13","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H10 F8 I2 N2 -","- C24 H10 F8 I2 N2 -","- C48 H20 F16 I4 N4 -","2","1","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0308","0.0236","","","0.0503","0.058","","","","","","1.0903","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243325","13.1047","0.001","10.8097","0.0008","14.146","0.0011","90","","107.369","0.003","90","","1912.5","0.3","100","2","100.01","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H12 Br2 F8 N2 -","- C18 H12 Br2 F8 N2 -","- C72 H48 Br8 F32 N8 -","4","1","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0449","0.0297","","","0.0594","0.0661","","","","","","1.0284","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243326","13.1529","0.0017","18.502","0.003","15.239","0.003","90","","90","","90","","3708.5","1.1","100","","100","","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C18 H12 F4 I2 N2 -","- C18 H12 F4 I2 N2 -","- C144 H96 F32 I16 N16 -","8","1","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0316","0.0239","","","0.0447","0.0503","","","","","","1.061","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243327","7.938","0.003","10.577","0.004","29.826","0.011","91.873","0.011","94.086","0.013","105.304","0.011","2405.8","1.6","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C45 H18 Br6 F24 N3 -","- C45 H18 Br6 F24 N3 -","- C90 H36 Br12 F48 N6 -","2","1","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.041","0.0285","","","0.055","0.062","","","","","","1.0693","","","","has coordinates,has disorder","269695","2021-10-06","15:00:41",""
"7243328","7.7139","0.0006","12.2385","0.001","13.5005","0.0011","113.307","0.003","99.272","0.003","94.932","0.003","1139.37","0.16","100.01","","100.01","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H8 F8 I2 N2 -","- C24 H8 F8 I2 N2 -","- C48 H16 F16 I4 N4 -","2","1","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0163","0.0143","","","0.034","0.0355","","","","","","1.0633","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243329","7.6092","0.0004","12.2473","0.0007","12.89","0.0008","111.115","0.002","100.664","0.002","95.114","0.002","1085.22","0.11","101","","101","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H8 Br2 F8 N2 -","- C24 H8 Br2 F8 N2 -","- C48 H16 Br4 F16 N4 -","2","1","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0222","0.0182","","","0.0413","0.0437","","","","","","1.0713","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243330","8.2738","0.0005","6.9896","0.0004","34.5606","0.0018","90","","93.006","0.002","90","","1995.9","0.2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H6 F8 I2 N2 -","- C20 H6 F8 I2 N2 -","- C80 H24 F32 I8 N8 -","4","1","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.021","0.0171","","","0.0361","0.0388","","","","","","1.0613","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243331","6.8925","0.0009","7.6625","0.001","8.623","0.0012","108.019","0.005","97.023","0.005","109.558","0.004","394.92","0.09","99.99","","99.99","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H8 Br2 F4 N2 -","- C16 H8 Br2 F4 N2 -","- C16 H8 Br2 F4 N2 -","1","0.5","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0236","0.0199","","","0.0425","0.0455","","","","","","1.0716","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243332","7.6382","0.0004","15.066","0.0008","35.9783","0.0018","90","","90.815","0.002","90","","4139.9","0.4","100.01","","100.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H16 Br4 F16 N4 -","- C44 H16 Br4 F16 N4 -","- C176 H64 Br16 F64 N16 -","4","1","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0377","0.0265","","","0.0544","0.0593","","","","","","1.074","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243333","12.6612","0.0011","12.5742","0.0012","12.2189","0.0011","90","","90","","90","","1945.3","0.3","100","","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H8 F8 I2 N2 -","- C18 H8 F8 I2 N2 -","- C72 H32 F32 I8 N8 -","4","1","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0274","0.0265","","","0.065","0.0658","","","","","","1.0488","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243334","7.7759","0.0002","9.1295","0.0002","11.648","0.0001","97.062","0.001","95.417","0.001","110.587","0.002","759.74","0.03","106","8","106","8","","","","","","","","5","P -1","-P 1","2","","","","- C13 H10 F4 I2 N2 -","- C13 H10 F4 I2 N2 -","- C26 H20 F8 I4 N4 -","2","1","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","x-ray","0.71073","MoKα","","0.035","0.0302","","","0.0809","0.1058","","","","","","1.258","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243335","7.9933","0.0007","10.05","0.001","15.0745","0.0014","80.124","0.003","78.66","0.003","83.953","0.003","1166.52","0.19","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H12 F8 I2 N2 -","- C24 H12 F8 I2 N2 -","- C48 H24 F16 I4 N4 -","2","1","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0184","0.0168","","","0.0389","0.0397","","","","","","1.0609","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243340","10.3439","0.0005","11.4569","0.0006","11.9709","0.0006","76.621","0.002","64.402","0.002","85.987","0.002","1243.97","0.11","298","2","298.01","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H22.5 Cd2 N2 O12.75 -","- C21 H22.5 Cd2 N2 O12.75 -","- C42 H45 Cd4 N4 O25.5 -","2","1","","Wen, Gui-Lin; Wu, Wei-Ping; Wang, Feng-Wu; Liu, Dao-Fu; Wang, Xiao-Ling; Rong, Jie-Wei; Wang, Yao-Yu","An excellent thermostable dual-functionalized 3D fsx-type Cd(ii) MOF for the highly selective detection of Fe3+ ions and ten nitroaromatic explosives","CrystEngComm","2021","23","35","6171","6179","10.1039/D1CE00939G","","","0.71073","MoKα","","0.0453","0.0302","","","0.0634","0.0688","","","","","","1.039","","","","has coordinates,has disorder","269692","2021-10-06","14:55:06",""
"7243341","9.19375","0.00021","12.33041","0.00024","3.016669","0.000051","90","","90","","90","","341.978","0.012","300","","300","","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- B4 Cu Mn4 Ni7 O20 -","- B4 Cu Mn4 Ni7 O20 -","- B4 Cu Mn4 Ni7 O20 -","1","0.125","","Moshkina, Evgeniya; Bovina, Asya; Molokeev, Maxim; Krylov, Alexander; Shabanov, Alexander; Chernyshov, Artem; Sofronova, Svetlana","Study of flux crystal growth peculiarities, structure and Raman spectra of double (Mn,Ni)3BO5 and triple (Mn,Ni,Cu)3BO5 oxyborates with ludwigite structure","CrystEngComm","2021","23","33","5624","5635","10.1039/D1CE00750E","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.379","1.228","","","","","","","has coordinates","268656","2021-09-06","10:25:52",""
"7243342","9.1828","0.0003","12.2766","0.0003","3.0091","0.0001","90","","90","","90","","339.227","0.018","296","2","296","2","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- B4 Cu Mn4 Ni7 O20 -","- B4 Cu Mn4 Ni7 O20 -","- B4 Cu Mn4 Ni7 O20 -","1","0.125","","Moshkina, Evgeniya; Bovina, Asya; Molokeev, Maxim; Krylov, Alexander; Shabanov, Alexander; Chernyshov, Artem; Sofronova, Svetlana","Study of flux crystal growth peculiarities, structure and Raman spectra of double (Mn,Ni)3BO5 and triple (Mn,Ni,Cu)3BO5 oxyborates with ludwigite structure","CrystEngComm","2021","23","33","5624","5635","10.1039/D1CE00750E","","","0.71073","MoKα","","0.043","0.0425","","","0.1203","0.1206","","","","","","1.968","","","","has coordinates","268656","2021-09-06","10:25:52",""
"7243343","9.1735","0.0002","12.2939","0.0003","3.0018","0.0001","90","","90","","90","","338.537","0.016","296","2","296","2","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- B2 Cu Mn2 Ni3 O10 -","- B2 Cu Mn2 Ni3 O10 -","- B4 Cu2 Mn4 Ni6 O20 -","2","0.25","","Moshkina, Evgeniya; Bovina, Asya; Molokeev, Maxim; Krylov, Alexander; Shabanov, Alexander; Chernyshov, Artem; Sofronova, Svetlana","Study of flux crystal growth peculiarities, structure and Raman spectra of double (Mn,Ni)3BO5 and triple (Mn,Ni,Cu)3BO5 oxyborates with ludwigite structure","CrystEngComm","2021","23","33","5624","5635","10.1039/D1CE00750E","","","0.71073","MoKα","","0.0418","0.0413","","","0.1266","0.127","","","","","","2.021","","","","has coordinates","268656","2021-09-06","10:25:52",""
"7243345","3.7462","0.0011","9.557","0.003","29.904","0.008","90","","90.357","0.005","90","","1070.6","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H8 F2 O2 -","- C15 H8 F2 O2 -","- C60 H32 F8 O8 -","4","1","","Gately, Thomas J.; Sontising, Watit; Easley, Connor J.; Islam, Imadul; Al-Kaysi, Rabih O.; Beran, Gregory J. O.; Bardeen, Christopher J.","Effect of halogen substitution on energies and dynamics of reversible photomechanical crystals based on 9-anthracenecarboxylic acid","CrystEngComm","2021","23","34","5931","5943","10.1039/D1CE00846C","","","0.71073","MoKα","","0.0856","0.0478","","","0.1117","0.1273","","","","","","1.034","","","","has coordinates","268687","2021-09-06","10:32:12",""
"7243346","18.665","0.002","3.8338","0.0004","33.213","0.004","90","","95.3374","0.0017","90","","2366.3","0.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H8.07 Cl1.93 O2 -","- C15 H8.07 Cl1.93 O2 -","- C120 H64.56 Cl15.44 O16 -","8","1","","Gately, Thomas J.; Sontising, Watit; Easley, Connor J.; Islam, Imadul; Al-Kaysi, Rabih O.; Beran, Gregory J. O.; Bardeen, Christopher J.","Effect of halogen substitution on energies and dynamics of reversible photomechanical crystals based on 9-anthracenecarboxylic acid","CrystEngComm","2021","23","34","5931","5943","10.1039/D1CE00846C","","","0.71073","MoKα","","0.0546","0.0443","","","0.1126","0.1199","","","","","","1.066","","","","has coordinates,has disorder","268687","2021-09-06","10:32:13",""
"7243347","8.6373","0.0005","10.47","0.0007","11.2282","0.0006","69.078","0.002","87.216","0.002","66.729","0.002","866.21","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- H32.2 Mo0.95 N3.05 Na2 O38 V9.05 -","- H32.2 Mo0.95 N3.05 Na2 O38 V9.05 -","- H32.2 Mo0.95 N3.05 Na2 O38 V9.05 -","1","0.5","","Yao, Zhi-Yuan; Zhang, Guo-Qin; Li, Zi-Han; Shen, Lin-Jiang; Ren, Xiao-Ming","Structure-directing effect of aqueous alkali metal ion (Li+, Na+ and K+) clusters on the polyoxoanion configuration in vanadium–molybdenum polyoxometalate solid solutions","CrystEngComm","2021","23","37","6533","6540","10.1039/D1CE00875G","","","0.71073","MoKα","","0.0738","0.061","","","0.1965","0.205","","","","","","1.061","","","","has coordinates","269668","2021-10-06","14:48:04",""
"7243348","8.5037","0.0005","10.2366","0.0006","11.0539","0.0007","68.641","0.002","87.059","0.002","67.707","0.002","824.94","0.09","273.15","","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- H35.48 Li2 Mo0.13 N3.87 O38 V9.87 -","- H35.48 Li2 Mo0.13 N3.87 O38 V9.87 -","- H35.48 Li2 Mo0.13 N3.87 O38 V9.87 -","1","0.5","","Yao, Zhi-Yuan; Zhang, Guo-Qin; Li, Zi-Han; Shen, Lin-Jiang; Ren, Xiao-Ming","Structure-directing effect of aqueous alkali metal ion (Li+, Na+ and K+) clusters on the polyoxoanion configuration in vanadium–molybdenum polyoxometalate solid solutions","CrystEngComm","2021","23","37","6533","6540","10.1039/D1CE00875G","","","0.71073","MoKα","","0.0316","0.0288","","","0.0822","0.0838","","","","","","1.048","","","","has coordinates","269668","2021-10-06","14:48:04",""
"7243353","8.695","0.009","11.849","0.013","13.515","0.014","71.182","0.011","88.994","0.011","80.25","0.011","1298","2","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H28 Cl N5 O -","- C31 H28 Cl N5 O -","- C62 H56 Cl2 N10 O2 -","2","1","","Dhir, Abhimanew; Rajkumar, Madhu; Desiraju, Gautam R.","Cocrystal hydrate of Bandrowski's base and clotrimazole: a prospective ingredient for hair dye formulations","CrystEngComm","2021","23","32","5421","5424","10.1039/D1CE00751C","","","0.71075","MoKα","","0.2314","0.1016","","","0.2055","0.2649","","","","","","0.953","","","","has coordinates","268649","2021-09-06","10:24:21",""
"7243354","7.7083","0.0002","17.6112","0.0005","23.3347","0.0004","96.381","0.002","96.351","0.002","94.418","0.002","3115.98","0.13","123","2","123","","","","","","","","","3","P -1","-P 1","2","","HPyB-TCNQ","","- C78 H38 N20 -","- C78 H38 N20 -","- C156 H76 N40 -","2","1","","Ando, Rempei; Jin, Mingoo; Ito, Hajime","Charge-transfer crystal with segregated packing structure constructed with hexaarylbenzene and tetracyanoquinodimethane","CrystEngComm","2021","23","33","5564","5568","10.1039/D1CE00726B","","x-ray","1.54184","CuKα","","0.1129","0.064","","","0.1731","0.2055","","","","","","1.028","","","","has coordinates,has disorder","268657","2021-09-06","10:26:00",""
"7243355","7.7403","0.0001","17.6776","0.0002","23.7797","0.0002","96.408","0.001","96.97","0.001","94.633","0.001","3194.85","0.06","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C39 H19 N10 -","- C39 H19 N10 -","- C156 H76 N40 -","4","2","","Ando, Rempei; Jin, Mingoo; Ito, Hajime","Charge-transfer crystal with segregated packing structure constructed with hexaarylbenzene and tetracyanoquinodimethane","CrystEngComm","2021","23","33","5564","5568","10.1039/D1CE00726B","","x-ray","1.54184","CuKα","","0.0801","0.0638","","","0.194","0.2108","","","","","","1.069","","","","has coordinates,has disorder","268657","2021-09-06","10:26:00",""
"7243356","8.0531","0.0005","8.0531","0.0005","6.9501","0.0008","90","","90","","90","","450.73","0.07","292.22","0.1","292.22","0.1","","","","","","","","4","I 4/m c m","-I 4 2c","140","","","","- Hg K2 Se4 Sn -","- Hg K2 Se4 Sn -","- Hg2 K4 Se8 Sn2 -","2","0.0625","","Teri, Gele; Li, Na; Bai, Sagala; E., Namila; Baiyin, Menghe","Synthesis, crystal structure, photocatalysis, photocurrent response: one-dimensional K2HgSnSe4 and three-dimensional Na6Cu8Sn3Se13","CrystEngComm","2021","23","35","6079","6085","10.1039/D1CE00821H","","x-ray","0.71073","MoKα","","0.0976","0.096","","","0.2515","0.2524","","","","","","1.33","","","","has coordinates,has disorder","269694","2021-10-06","14:55:32",""
"7243357","18.4754","0.0008","18.4754","0.0008","18.4754","0.0008","90","","90","","90","","6306.4","0.5","298.15","","298.15","","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","","- Cu8 Na6 Se13 Sn3 -","- Cu8 Na6 Se13 Sn3 -","- Cu64 Na48 Se104 Sn24 -","8","0.0416667","","Teri, Gele; Li, Na; Bai, Sagala; E., Namila; Baiyin, Menghe","Synthesis, crystal structure, photocatalysis, photocurrent response: one-dimensional K2HgSnSe4 and three-dimensional Na6Cu8Sn3Se13","CrystEngComm","2021","23","35","6079","6085","10.1039/D1CE00821H","","","0.71073","MoKα","","0.0646","0.0442","","","0.0964","0.1068","","","","","","1.068","","","","has coordinates,has disorder","269694","2021-10-06","14:55:32",""
"7243358","11.774","0.0009","12.4266","0.0012","17.269","0.002","90","","90","","90","","2526.6","0.4","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Amino-N-(2-methoxyphenyl)benzenesulfonamide","","- C13 H14 N2 O3 S -","- C13 H14 N2 O3 S -","- C104 H112 N16 O24 S8 -","8","1","","Kowalik, Mateusz; Brzeski, Jakub; Gawrońska, Małgorzata; Kazimierczuk, Katarzyna; Makowski, Mariusz","Experimental and theoretical investigation of conformational states and noncovalent interactions in crystalline sulfonamides with a methoxyphenyl moiety","CrystEngComm","2021","","","","","10.1039/D1CE00869B","","x-ray","0.71073","MoKα","","0.0759","0.0589","","","0.152","0.1682","","","","","","1.033","","","","has coordinates","268034","2021-08-11","22:45:54",""
"7243359","12.7104","0.0007","10.0355","0.0005","23.7593","0.0016","90","","90","","90","","3030.6","0.3","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-(4-(N-(3-methoxyphenyl)sulfamoyl)phenyl)acetamide","","- C15 H16 N2 O4 S -","- C15 H16 N2 O4 S -","- C120 H128 N16 O32 S8 -","8","1","","Kowalik, Mateusz; Brzeski, Jakub; Gawrońska, Małgorzata; Kazimierczuk, Katarzyna; Makowski, Mariusz","Experimental and theoretical investigation of conformational states and noncovalent interactions in crystalline sulfonamides with a methoxyphenyl moiety","CrystEngComm","2021","","","","","10.1039/D1CE00869B","","x-ray","0.71073","MoKα","","0.0411","0.0327","","","0.0856","0.09","","","","","","1.06","","","","has coordinates","268034","2021-08-11","22:45:54",""
"7243360","6.0734","0.0004","15.4472","0.001","27.066","0.002","90","","90","","90","","2539.3","0.3","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Amino-N-(3-methoxyphenyl)benzenesulfonamide","","- C13 H14 N2 O3 S -","- C13 H14 N2 O3 S -","- C104 H112 N16 O24 S8 -","8","1","","Kowalik, Mateusz; Brzeski, Jakub; Gawrońska, Małgorzata; Kazimierczuk, Katarzyna; Makowski, Mariusz","Experimental and theoretical investigation of conformational states and noncovalent interactions in crystalline sulfonamides with a methoxyphenyl moiety","CrystEngComm","2021","","","","","10.1039/D1CE00869B","","x-ray","0.71073","MoKα","","0.0357","0.0312","","","0.0816","0.0852","","","","","","1.03","","","","has coordinates","268034","2021-08-11","22:45:55",""
"7243361","15.6551","0.0011","11.7852","0.0007","16.3034","0.0008","90","","90","","90","","3008","0.3","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-(4-(N-(2-methoxyphenyl)sulfamoyl)phenyl)acetamide","","- C15 H16 N2 O4 S -","- C15 H16 N2 O4 S -","- C120 H128 N16 O32 S8 -","8","1","","Kowalik, Mateusz; Brzeski, Jakub; Gawrońska, Małgorzata; Kazimierczuk, Katarzyna; Makowski, Mariusz","Experimental and theoretical investigation of conformational states and noncovalent interactions in crystalline sulfonamides with a methoxyphenyl moiety","CrystEngComm","2021","","","","","10.1039/D1CE00869B","","x-ray","0.71073","MoKα","","0.0355","0.0321","","","0.0837","0.086","","","","","","1.049","","","","has coordinates","268034","2021-08-11","22:45:55",""
"7243362","9.606","0.0003","9.606","0.0003","23.5219","0.0013","90","","90","","120","","1879.7","0.13","296","2","296","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C2 H6 B12 K Li Na8 O30 -","- C2 H6 B12 K Li Na8 O30 -","- C6 H18 B36 K3 Li3 Na24 O90 -","3","0.166667","","Qiu, Qi-Ming; Yang, Guo-Yu","Three mixed-alkaline-metal borates with {Li@B12Ox(OH)24−x} (x = 18, 22) clusters: from isolated oxoboron cluster to unusual layer","CrystEngComm","2021","23","37","6518","6525","10.1039/D1CE00910A","","","0.71073","MoKα","","0.039","0.0356","","","0.0881","0.0899","","","","","","1.097","","","","has coordinates","269669","2021-10-06","14:48:16",""
"7243363","9.3037","0.0019","10.863","0.002","13.007","0.003","90","","96.316","0.006","90","","1306.6","0.5","153","2","153","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- B12 Cs5 H8 Li O25 -","- B12 Cs5 H6.5 Li O25 -","- B24 Cs10 H13 Li2 O50 -","2","1","","Qiu, Qi-Ming; Yang, Guo-Yu","Three mixed-alkaline-metal borates with {Li@B12Ox(OH)24−x} (x = 18, 22) clusters: from isolated oxoboron cluster to unusual layer","CrystEngComm","2021","23","37","6518","6525","10.1039/D1CE00910A","","","0.71073","MoKα","","0.0742","0.0666","","","0.1496","0.1548","","","","","","1.005","","","","has coordinates","269669","2021-10-06","14:48:18",""
"7243364","18.5529","0.0005","10.8877","0.0003","13.0326","0.0003","90","","96.274","0.002","90","","2616.8","0.12","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- B24 Cs10 H16 Li2 O50 -","- B24 Cs10 H16 Li2 O50 -","- B48 Cs20 H32 Li4 O100 -","2","0.5","","Qiu, Qi-Ming; Yang, Guo-Yu","Three mixed-alkaline-metal borates with {Li@B12Ox(OH)24−x} (x = 18, 22) clusters: from isolated oxoboron cluster to unusual layer","CrystEngComm","2021","23","37","6518","6525","10.1039/D1CE00910A","","","0.71073","MoKα","","0.0383","0.0368","","","0.082","0.0829","","","","","","1.089","","","","has coordinates","269669","2021-10-06","14:48:18",""
"7243367","12.2879","0.0011","13.4691","0.0013","15.8572","0.0015","67.268","0.009","89.258","0.008","63.953","0.009","2135.5","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H53 N5 Ni2 O10 S -","- C43 H53 N5 Ni2 O10 S -","- C86 H106 N10 Ni4 O20 S2 -","2","1","","Roy, Sourav; Sutradhar, Dipankar; Drew, Michael G. B.; Chattopadhyay, Shouvik","Theoretical insights on the encapsulated hydronium ion mediated supramolecular assembly of nickel(ii) Schiff base complexes: strong hydrogen bonding interaction due to charge transfer from the lone pair of oxygen to the antibonding orbital of the O–H bond","CrystEngComm","2021","23","38","6724","6735","10.1039/D1CE00855B","","","0.71073","MoKα","","0.1468","0.0798","","","0.1759","0.2123","","","","","","0.908","","","","has coordinates","270450","2021-11-06","19:59:59",""
"7243368","9.9901","0.0008","10.1477","0.0007","11.9438","0.0009","64.998","0.007","76.806","0.007","82.831","0.006","1067.84","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H15 Eu N6 O8 -","- C21 H16 Eu N6 O8 -","- C42 H32 Eu2 N12 O16 -","2","1","","Deng, Liming; Zhao, Huihui; Liu, Kang; Ma, Dingxuan","Efficient luminescence sensing in two lanthanide metal–organic frameworks with rich uncoordinated Lewis basic sites","CrystEngComm","2021","23","37","6591","6598","10.1039/D1CE00923K","","","0.7107","MoKα","","0.046","0.0364","","","0.0696","0.0739","","","","","","0.976","","","","has coordinates","269667","2021-10-06","14:47:54",""
"7243369","8.2132","0.0005","9.955","0.0007","11.4034","0.0006","101.681","0.005","102.242","0.005","107.25","0.006","834.27","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H10 N4 O7 Tb -","- C15 H10 N4 O7 Tb -","- C30 H20 N8 O14 Tb2 -","2","1","","Deng, Liming; Zhao, Huihui; Liu, Kang; Ma, Dingxuan","Efficient luminescence sensing in two lanthanide metal–organic frameworks with rich uncoordinated Lewis basic sites","CrystEngComm","2021","23","37","6591","6598","10.1039/D1CE00923K","","","0.7107","MoKα","","0.0382","0.0322","","","0.0716","0.0751","","","","","","1.076","","","","has coordinates","269667","2021-10-06","14:47:56",""
"7243371","4.4398","0.0003","19.0129","0.0011","13.8958","0.001","90","","92.18","0.003","90","","1172.14","0.13","149.59","","149.59","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 Br Cl N2 O -","- C12 H8 Br Cl N2 O -","- C48 H32 Br4 Cl4 N8 O4 -","4","1","","Feiler, Torvid; Bhattacharya, Biswajit; Michalchuk, Adam A. L.; Rhim, Seon-Young; Schröder, Vincent; List-Kratochvil, Emil; Emmerling, Franziska","Tuning the mechanical flexibility of organic molecular crystals by polymorphism for flexible optical waveguides","CrystEngComm","2021","23","34","5815","5825","10.1039/D1CE00642H","","","0.71073","MoKα","","0.0747","0.0576","","","0.1428","0.1548","","","","","","1.027","","","","has coordinates","268694","2021-09-06","10:33:30",""
"7243372","25.1344","0.0012","3.8736","0.0001","11.9831","0.0005","90","","90","","90","","1166.68","0.08","150","","150","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C12 H8 Br Cl N2 O -","- C12 H8 Br Cl N2 O -","- C48 H32 Br4 Cl4 N8 O4 -","4","1","","Feiler, Torvid; Bhattacharya, Biswajit; Michalchuk, Adam A. L.; Rhim, Seon-Young; Schröder, Vincent; List-Kratochvil, Emil; Emmerling, Franziska","Tuning the mechanical flexibility of organic molecular crystals by polymorphism for flexible optical waveguides","CrystEngComm","2021","23","34","5815","5825","10.1039/D1CE00642H","","","0.71073","MoKα","","0.0317","0.0238","","","0.0481","0.051","","","","","","1.01","","","","has coordinates","268694","2021-09-06","10:33:31",""
"7243373","19.1729","0.0001","5.8157","0.0001","22.9536","0.0001","90","","90","","90","","2559.41","0.05","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N,N-dimethylurea 2,4-dinitrobenzoate 1:1","","- C10 H12 N4 O7 -","- C10 H12 N4 O7 -","- C80 H96 N32 O56 -","8","1","","Saunders, Lucy K.; Pallipurath, Anuradha R.; Gutmann, Matthias J.; Nowell, Harriott; Zhang, Ningjin; Allan, David R.","A quantum crystallographic approach to short hydrogen bonds.","CrystEngComm","2021","23","35","6180","6190","10.1039/d1ce00355k","","","0.6889","","","0.039","0.019","","","","0.042","0.019","","","","","1.009","","","","has coordinates","269686","2021-10-06","14:53:55",""
"7243374","19.157","0.006","5.791","0.002","22.956","0.007","90","","90","","90","","2546.7","1.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N,N-dimethylurea 2,4-dinitrobenzoate 1:1","","- C10 H12 N4 O7 -","- C10 H12 N4 O7 -","- C80 H96 N32 O56 -","8","1","","Saunders, Lucy K.; Pallipurath, Anuradha R.; Gutmann, Matthias J.; Nowell, Harriott; Zhang, Ningjin; Allan, David R.","A quantum crystallographic approach to short hydrogen bonds.","CrystEngComm","2021","23","35","6180","6190","10.1039/d1ce00355k","","","0.25","neutron","","0.0957","0.0886","","","0.2142","0.2274","","","","","","1.048","","","","has coordinates","269686","2021-10-06","14:53:56",""
"7243375","3.8179","0.0001","13.2171","0.0002","12.408","0.0001","90","","94.614","0.001","90","","624.1","0.02","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N,N'-dimethylurea oxalic acid 2:1","","- C4 H9 N2 O3 -","- C4 H9 N2 O3 -","- C16 H36 N8 O12 -","4","1","","Saunders, Lucy K.; Pallipurath, Anuradha R.; Gutmann, Matthias J.; Nowell, Harriott; Zhang, Ningjin; Allan, David R.","A quantum crystallographic approach to short hydrogen bonds.","CrystEngComm","2021","23","35","6180","6190","10.1039/d1ce00355k","","","0.6889","","","0.0447","0.0263","","","0.0616","0.0678","","","","","","0.8748","","","","has coordinates","269686","2021-10-06","14:53:56",""
"7243376","3.8179","0.0001","13.2171","0.0002","12.408","0.0001","90","","94.614","0.001","90","","624.1","0.02","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N,N'-dimethylurea oxalic acid 2:1","","- C4 H9 N2 O3 -","- C4 H9 N2 O3 -","- C16 H36 N8 O12 -","4","1","","Saunders, Lucy K.; Pallipurath, Anuradha R.; Gutmann, Matthias J.; Nowell, Harriott; Zhang, Ningjin; Allan, David R.","A quantum crystallographic approach to short hydrogen bonds.","CrystEngComm","2021","23","35","6180","6190","10.1039/d1ce00355k","","","0.6889","","","0.055","0.019","","","","0.046","0.026","","","","","1.071","","","","has coordinates","269686","2021-10-06","14:53:56",""
"7243377","28.3783","0.0001","6.0988","0.0003","29.7998","0.0001","90","","92.511","0.0004","90","","5152.6","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N,N-dimethylurea 3,5-dinitrobenzoic acid 2:2","","- C20 H24 N8 O14 -","- C20 H24 N8 O14 -","- C160 H192 N64 O112 -","8","1","","Saunders, Lucy K.; Pallipurath, Anuradha R.; Gutmann, Matthias J.; Nowell, Harriott; Zhang, Ningjin; Allan, David R.","A quantum crystallographic approach to short hydrogen bonds.","CrystEngComm","2021","23","35","6180","6190","10.1039/d1ce00355k","","","0.6889","","","0.0466","0.0279","","","0.084","0.0963","","","","","","0.7239","","","","has coordinates","269686","2021-10-06","14:53:56",""
"7243378","28.3783","0.0001","6.0988","0.0003","29.7998","0.0001","90","","92.511","0.0004","90","","5152.6","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N,N-dimethylurea 3,5-dinitrobenzoic acid 2:2","","- C20 H24 N8 O14 -","- C20 H24 N8 O14 -","- C160 H192 N64 O112 -","8","1","","Saunders, Lucy K.; Pallipurath, Anuradha R.; Gutmann, Matthias J.; Nowell, Harriott; Zhang, Ningjin; Allan, David R.","A quantum crystallographic approach to short hydrogen bonds.","CrystEngComm","2021","23","35","6180","6190","10.1039/d1ce00355k","","","0.6889","","","0.054","0.025","","","","0.053","0.025","","","","","1.028","","","","has coordinates","269686","2021-10-06","14:53:56",""
"7243379","6.8169","0.0005","7.3756","0.0005","8.5055","0.0006","105.538","0.002","90.512","0.002","111.867","0.002","379.54","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C5 H6 N2 Ni O6 -","- C5 H6 N2 Ni O6 -","- C10 H12 N4 Ni2 O12 -","2","1","","Ahmad, M. Shahwaz; Khalid, Mohd; Khan, M. Shahnawaz; Shahid, M.; Ahmad, Musheer","Ni(ii)-Based one dimensional coordination polymers for environmental remediation: design, topology, magnetism and the selective adsorption of cationic dyes","CrystEngComm","2021","23","36","6253","6266","10.1039/D1CE00815C","","","0.71073","MoKα","","0.0421","0.0404","","","0.1039","0.1059","","","","","","1.067","","","","has coordinates","269683","2021-10-06","14:52:59",""
"7243380","7.7733","0.0005","9.819","0.0006","14.7763","0.001","90","","90","","90","","1127.82","0.13","","","273.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H8 N4 Ni O5 -","- C10 H8 N4 Ni O5 -","- C40 H32 N16 Ni4 O20 -","4","1","","Ahmad, M. Shahwaz; Khalid, Mohd; Khan, M. Shahnawaz; Shahid, M.; Ahmad, Musheer","Ni(ii)-Based one dimensional coordination polymers for environmental remediation: design, topology, magnetism and the selective adsorption of cationic dyes","CrystEngComm","2021","23","36","6253","6266","10.1039/D1CE00815C","","","0.71073","MoKα","","0.0468","0.042","","","0.1054","0.111","","","","","","1.0735","","","","has coordinates","269683","2021-10-06","14:52:59",""
"7243381","20.7074","0.0011","4.9052","0.0002","28.1381","0.0014","90","","90","","90","","2858.1","0.2","293","","293","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C28 H42 N4 O4 Pt -","- C28 H42 N4 O4 Pt -","- C112 H168 N16 O16 Pt4 -","4","1","","Richardson, Jonathan G.; Broadhurst, Edward T.; Benjamin, Helen; Morrison, Carole A.; Moggach, Stephen A.; Robertson, Neil","Evaluating the crystalline orbital hierarchy and high-pressure structure–property response of an extended-ligand platinum(ii) bis(1,2-dioximato) complex","CrystEngComm","2021","23","36","6359","6364","10.1039/D1CE00892G","","","0.71073","MoKα","","0.0603","0.0435","","0.1074","0.0998","0.1074","","","","","","1.1689","","","","has coordinates","269680","2021-10-06","14:52:27",""
"7243382","20.3217","0.00004","4.7007","0.00001","27.4573","0.00003","90","","90","","90","","2622.89","0.008","293","","293","","","","760000","","","","","5","P n a 21","P 2c -2n","33","","","","- C28 H43 N4 O4 Pt -","- C28 H43 N4 O4 Pt -","- C112 H172 N16 O16 Pt4 -","4","1","","Richardson, Jonathan G.; Broadhurst, Edward T.; Benjamin, Helen; Morrison, Carole A.; Moggach, Stephen A.; Robertson, Neil","Evaluating the crystalline orbital hierarchy and high-pressure structure–property response of an extended-ligand platinum(ii) bis(1,2-dioximato) complex","CrystEngComm","2021","23","36","6359","6364","10.1039/D1CE00892G","","","0.71073","MoKα","","0.08","0.08","","0.1652","0.1652","0.068","","","","","","1.0829","","","","has coordinates","269680","2021-10-06","14:52:28",""
"7243383","20.088","0.003","4.6778","0.0003","27.3616","0.0015","90","","90","","90","","2571.1","0.4","293","","293","","","","1430000","","","","","5","P n a 21","P 2c -2n","33","","","","- C28 H42 N4 O4 Pt -","- C28 H42 N4 O4 Pt -","- C112 H168 N16 O16 Pt4 -","4","1","","Richardson, Jonathan G.; Broadhurst, Edward T.; Benjamin, Helen; Morrison, Carole A.; Moggach, Stephen A.; Robertson, Neil","Evaluating the crystalline orbital hierarchy and high-pressure structure–property response of an extended-ligand platinum(ii) bis(1,2-dioximato) complex","CrystEngComm","2021","23","36","6359","6364","10.1039/D1CE00892G","","","0.71073","MoKα","","0.0827","0.0827","","0.1235","0.1235","0.1165","","","","","","1.0521","","","","has coordinates","269680","2021-10-06","14:52:28",""
"7243384","20.602","0.0017","4.8431","0.0001","27.9031","0.0007","90","","90","","90","","2784.1","0.2","293","","293","","","","140000","","","","","5","P n a 21","P 2c -2n","33","","","","- C28 H42 N4 O4 Pt -","- C28 H42 N4 O4 Pt -","- C112 H168 N16 O16 Pt4 -","4","1","","Richardson, Jonathan G.; Broadhurst, Edward T.; Benjamin, Helen; Morrison, Carole A.; Moggach, Stephen A.; Robertson, Neil","Evaluating the crystalline orbital hierarchy and high-pressure structure–property response of an extended-ligand platinum(ii) bis(1,2-dioximato) complex","CrystEngComm","2021","23","36","6359","6364","10.1039/D1CE00892G","","","0.71073","MoKα","","0.0603","0.0603","","0.0932","0.0932","0.0932","","","","","","1.1217","","","","has coordinates","269680","2021-10-06","14:52:28",""
"7243385","18.0232","0.0011","18.0621","0.0009","24.6633","0.0016","90","","90.917","0.004","90","","8027.8","0.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C84 H58 Cd2 N14 O10 -","- C84 H58 Cd2 N14 O10 -","- C336 H232 Cd8 N56 O40 -","4","1","","Ni, Jian-Ling; Liang, Yu; Shao, Juan-Juan; Li, Jun-Feng; Li, Guang-Jun; Chen, Li-Zhuang; Wang, Fang-Ming","TIPA-ligand-based luminescent Cd(ii) organic frameworks as an outstanding sensor for detecting Fe3+ in an aqueous medium","CrystEngComm","2021","23","32","5516","5521","10.1039/D1CE00499A","","","0.71073","MoKα","","0.1374","0.0632","","","0.138","0.1701","","","","","","0.985","","","","has coordinates","268106","2021-08-17","22:42:14",""
"7243386","18.151","0.005","18.053","0.005","24.485","0.007","90","","90.522","0.004","90","","8023","4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C82 H58 Cd2 N14 O10 -","- C82 H58 Cd2 N14 O10 -","- C328 H232 Cd8 N56 O40 -","4","1","","Ni, Jian-Ling; Liang, Yu; Shao, Juan-Juan; Li, Jun-Feng; Li, Guang-Jun; Chen, Li-Zhuang; Wang, Fang-Ming","TIPA-ligand-based luminescent Cd(ii) organic frameworks as an outstanding sensor for detecting Fe3+ in an aqueous medium","CrystEngComm","2021","23","32","5516","5521","10.1039/D1CE00499A","","","0.71073","MoKα","","0.1052","0.0525","","","0.1272","0.148","","","","","","0.976","","","","has coordinates","268106","2021-08-17","22:42:15",""
"7243387","14.0509","0.0007","10.1555","0.0005","17.9303","0.001","90","","103.03","0.002","90","","2492.7","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H25 N3 O6 Zn -","- C27 H25 N3 O6 Zn -","- C108 H100 N12 O24 Zn4 -","4","1","","Ejarque, Daniel; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Steric crowding of a series of pyridine based ligands influencing the photophysical properties of Zn(II) complexes","CrystEngComm","2021","23","35","6199","6213","10.1039/D1CE00833A","","","0.71073","MoKα","","0.067","0.0559","","","0.1422","0.1521","","","","","","1.049","","","","has coordinates","269691","2021-10-06","14:54:53",""
"7243388","31.098","0.003","5.719","0.0004","23.853","0.002","90","","106.322","0.004","90","","4071.3","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H44 N4 O7 Zn -","- C46 H44 N4 O7 Zn -","- C184 H176 N16 O28 Zn4 -","4","0.5","","Ejarque, Daniel; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Steric crowding of a series of pyridine based ligands influencing the photophysical properties of Zn(II) complexes","CrystEngComm","2021","23","35","6199","6213","10.1039/D1CE00833A","","","0.71073","MoKα","","0.0871","0.0601","","","0.1325","0.1499","","","","","","1.04","","","","has coordinates,has disorder","269691","2021-10-06","14:54:55",""
"7243389","33.183","0.007","8.9246","0.0018","15.409","0.003","90","","115.059","0.008","90","","4133.8","1.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43 H45 N7 O8 Zn -","- C43 H45 N7 O8 Zn -","- C172 H180 N28 O32 Zn4 -","4","0.5","","Ejarque, Daniel; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Steric crowding of a series of pyridine based ligands influencing the photophysical properties of Zn(II) complexes","CrystEngComm","2021","23","35","6199","6213","10.1039/D1CE00833A","","","0.71073","MoKα","","0.123","0.0763","","","0.1496","0.1701","","","","","","1.059","","","","has coordinates,has disorder","269691","2021-10-06","14:54:55",""
"7243390","16.763","0.002","15.8859","0.0019","16.337","0.002","90","","108.155","0.004","90","","4133.9","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H52 N4 O10 Zn -","- C40 H52 N4 O10 Zn -","- C160 H208 N16 O40 Zn4 -","4","1","","Ejarque, Daniel; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Steric crowding of a series of pyridine based ligands influencing the photophysical properties of Zn(II) complexes","CrystEngComm","2021","23","35","6199","6213","10.1039/D1CE00833A","","","0.71073","MoKα","","0.0996","0.0564","","","0.1332","0.16","","","","","","1.021","","","","has coordinates","269691","2021-10-06","14:54:55",""
"7243391","11.8153","0.0009","12.2801","0.0011","17.4928","0.0016","108.449","0.004","96.437","0.004","102.812","0.004","2301.7","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H53 N5 O10 Zn -","- C48 H53 N5 O10 Zn -","- C96 H106 N10 O20 Zn2 -","2","1","","Ejarque, Daniel; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Steric crowding of a series of pyridine based ligands influencing the photophysical properties of Zn(II) complexes","CrystEngComm","2021","23","35","6199","6213","10.1039/D1CE00833A","","","0.71073","MoKα","","0.1056","0.0631","","","0.1551","0.1849","","","","","","1.054","","","","has coordinates","269691","2021-10-06","14:54:55",""
"7243392","16.8072","0.0009","16.4259","0.0008","24.7605","0.0015","90","","90","","90","","6835.7","0.6","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C74 H74 N8 O15 Zn2 -","- C74 H74 N8 O15 Zn2 -","- C296 H296 N32 O60 Zn8 -","4","1","","Ejarque, Daniel; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Steric crowding of a series of pyridine based ligands influencing the photophysical properties of Zn(II) complexes","CrystEngComm","2021","23","35","6199","6213","10.1039/D1CE00833A","","","0.71073","MoKα","","0.1321","0.0415","","","0.0739","0.1085","","","","","","0.92","","","","has coordinates","269691","2021-10-06","14:54:55",""
"7243393","11.4978","0.00015","11.4978","0.00015","5.62608","0.00008","90","","90","","90","","743.764","0.017","300","","300","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- B12 Cu5.994 Ni0.006 O24 -","- B12 Cu5.994 Ni0.006 O24 -","- B24 Cu11.988 Ni0.012 O48 -","2","0.125","","Moshkina, Evgeniya; Molokeev, Maxim; Belskaya, Nadejda; Nemtsev, Ivan; Molchanova, Anastasiia; Boldyrev, Kirill","Metastable growth and infrared spectra of CuB2O4:Ni single crystals","CrystEngComm","2021","23","38","6761","6768","10.1039/D1CE00729G","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.18","1.58","","","","","","","has coordinates","270449","2021-11-06","19:59:36",""
"7243394","11.49731","0.00009","11.49731","0.00009","5.62593","0.00006","90","","90","","90","","743.681","0.011","300","","300","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- B24 Cu11.88 Ni0.12 O48 -","- B24 Cu11.88 Ni0.12 O48 -","- B24 Cu11.88 Ni0.12 O48 -","1","0.0625","","Moshkina, Evgeniya; Molokeev, Maxim; Belskaya, Nadejda; Nemtsev, Ivan; Molchanova, Anastasiia; Boldyrev, Kirill","Metastable growth and infrared spectra of CuB2O4:Ni single crystals","CrystEngComm","2021","23","38","6761","6768","10.1039/D1CE00729G","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.38","1.61","","","","","","","has coordinates","270449","2021-11-06","19:59:37",""
"7243403","6.312","0.0004","7.4057","0.0005","8.1661","0.0005","108.309","0.005","109.791","0.004","92.81","0.005","335.79","0.04","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C16 H8 N4 O2 -","- C16 H8 N4 O2 -","- C16 H8 N4 O2 -","1","0.5","","Sanda Bawa, Ali; Meunier-Prest, Rita; Rousselin, Yoann; Couvercelle, Jean-Pierre; Christine, Stern; Malézieux, Bernard; Bouvet, Marcel","Series of charge transfer complexes obtained as crystals in a confined environment","CrystEngComm","2021","","","","","10.1039/D1CE00929J","","x-ray","1.54178","CuKα","","0.1149","0.0934","","","0.1831","0.1915","","","","","","1.29","","","","has coordinates","268153","2021-08-20","22:40:43",""
"7243404","7.0977","0.0003","7.7054","0.0004","10.1834","0.0005","79.516","0.002","85.59","0.003","70.03","0.003","514.64","0.04","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C24 H18 N4 O6 -","- C24 H18 N4 O6 -","- C24 H18 N4 O6 -","1","0.5","","Sanda Bawa, Ali; Meunier-Prest, Rita; Rousselin, Yoann; Couvercelle, Jean-Pierre; Christine, Stern; Malézieux, Bernard; Bouvet, Marcel","Series of charge transfer complexes obtained as crystals in a confined environment","CrystEngComm","2021","","","","","10.1039/D1CE00929J","","","1.54178","CuKα","","0.1391","0.1137","","","0.2756","0.2917","","","","","","1.125","","","","has coordinates","268153","2021-08-20","22:40:44",""
"7243405","18.781","0.0012","7.6668","0.0005","17.9141","0.0008","90","","112.728","0.003","90","","2379.2","0.2","115","0.1","115","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 N4 O8 -","- C26 H22 N4 O8 -","- C104 H88 N16 O32 -","4","0.5","","Sanda Bawa, Ali; Meunier-Prest, Rita; Rousselin, Yoann; Couvercelle, Jean-Pierre; Christine, Stern; Malézieux, Bernard; Bouvet, Marcel","Series of charge transfer complexes obtained as crystals in a confined environment","CrystEngComm","2021","","","","","10.1039/D1CE00929J","","x-ray","0.71073","MoKα","","0.0746","0.054","","","0.1018","0.1134","","","","","","1.104","","","","has coordinates","268153","2021-08-20","22:40:44",""
"7243406","10.146","0.002","13.915","0.002","14.641","0.012","90","","96.29","0.07","90","","2054.6","1.8","290.6","0.3","290.6","0.3","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H14 N2 O6 S Zn -","- C23 H14 N2 O6 S Zn -","- C92 H56 N8 O24 S4 Zn4 -","4","1","","Li, Zhao-Hao; Xue, Li-Ping; Liu, Si-Rui; Wang, Si-Jin","Construction of a viologen-derived 2D material with photochromism, photoswitchable luminescence and inkless and erasable prints via sunlight irradiation","CrystEngComm","2021","23","36","6315","6321","10.1039/D1CE00900A","","x-ray","0.71073","MoKα","","0.0469","0.036","","","0.0757","0.0797","","","","","","1.068","","","","has coordinates","269679","2021-10-06","14:52:15",""
"7243407","8.125","0.0005","13.7648","0.0011","15.2241","0.0011","90","","90","","90","","1702.6","0.2","160","1","160","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H14 N2 O6 -","- C19 H14 N2 O6 -","- C76 H56 N8 O24 -","4","1","","Aryaeifar, Mahnaz; Amiri Rudbari, Hadi; Blacque, Olivier; Islam, Mohammad Khairul; Scopelliti, Rosario; Braun, Jason D.; Herbert, David E.; Bruno, Giuseppe; Janiak, Christoph; Enamullah, Mohammed","Schiff base ligands derived from 1,2-bis(2′-nitro-/amino-phenoxy)-3-R-benzene and 2-hydroxy-1-naphthaldehyde and their Cu/Zn(ii) complexes: synthesis, characterization, X-ray structures and computational studies","CrystEngComm","2021","23","36","6322","6339","10.1039/D1CE00829C","","x-ray","1.54184","CuKα","","0.0974","0.0906","","","0.259","0.266","","","","","","1.039","","","","has coordinates,has disorder","269674","2021-10-06","14:51:03",""
"7243408","11.0804","0.001","18.793","0.002","7.5692","0.0003","90","","98.945","0.006","90","","1557","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N2 O2 -","- C19 H17.322 N2 O2 -","- C76 H69.288 N8 O8 -","4","1","","Aryaeifar, Mahnaz; Amiri Rudbari, Hadi; Blacque, Olivier; Islam, Mohammad Khairul; Scopelliti, Rosario; Braun, Jason D.; Herbert, David E.; Bruno, Giuseppe; Janiak, Christoph; Enamullah, Mohammed","Schiff base ligands derived from 1,2-bis(2′-nitro-/amino-phenoxy)-3-R-benzene and 2-hydroxy-1-naphthaldehyde and their Cu/Zn(ii) complexes: synthesis, characterization, X-ray structures and computational studies","CrystEngComm","2021","23","36","6322","6339","10.1039/D1CE00829C","","","0.71073","MoKα","","0.0573","0.0447","","","0.0916","0.0995","","","","","","1.067","","","","has coordinates,has disorder","269674","2021-10-06","14:51:04",""
"7243409","12.9151","0.0009","14.7249","0.0009","17.8978","0.0012","76.037","0.002","76.919","0.002","82.899","0.002","3208.8","0.4","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C84 H58 Cu2 N4 O10.5 -","- C84 H58 Cu2 N4 O10.5 -","- C168 H116 Cu4 N8 O21 -","2","1","","Aryaeifar, Mahnaz; Amiri Rudbari, Hadi; Blacque, Olivier; Islam, Mohammad Khairul; Scopelliti, Rosario; Braun, Jason D.; Herbert, David E.; Bruno, Giuseppe; Janiak, Christoph; Enamullah, Mohammed","Schiff base ligands derived from 1,2-bis(2′-nitro-/amino-phenoxy)-3-R-benzene and 2-hydroxy-1-naphthaldehyde and their Cu/Zn(ii) complexes: synthesis, characterization, X-ray structures and computational studies","CrystEngComm","2021","23","36","6322","6339","10.1039/D1CE00829C","","","0.71073","MoKα","","0.0875","0.0492","","","0.1139","0.1341","","","","","","1.032","","","","has coordinates,has disorder","269674","2021-10-06","14:51:04",""
"7243410","11.41009","0.00012","16.18167","0.00018","16.91043","0.00019","90","","92.4308","0.001","90","","3119.44","0.06","160","1","160","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H28 N2 O5 Zn -","- C41 H28 N2 O5 Zn -","- C164 H112 N8 O20 Zn4 -","4","1","","Aryaeifar, Mahnaz; Amiri Rudbari, Hadi; Blacque, Olivier; Islam, Mohammad Khairul; Scopelliti, Rosario; Braun, Jason D.; Herbert, David E.; Bruno, Giuseppe; Janiak, Christoph; Enamullah, Mohammed","Schiff base ligands derived from 1,2-bis(2′-nitro-/amino-phenoxy)-3-R-benzene and 2-hydroxy-1-naphthaldehyde and their Cu/Zn(ii) complexes: synthesis, characterization, X-ray structures and computational studies","CrystEngComm","2021","23","36","6322","6339","10.1039/D1CE00829C","","x-ray","1.54184","CuKα","","0.0349","0.0319","","","0.0805","0.0823","","","","","","1.022","","","","has coordinates","269674","2021-10-06","14:51:04",""
"7243411","7.639","0.002","14.165","0.004","14.697","0.004","95.51","0.02","104.51","0.02","96.46","0.02","1517","0.7","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H30 N2 O4 -","- C41 H30 N2 O4 -","- C82 H60 N4 O8 -","2","1","","Aryaeifar, Mahnaz; Amiri Rudbari, Hadi; Blacque, Olivier; Islam, Mohammad Khairul; Scopelliti, Rosario; Braun, Jason D.; Herbert, David E.; Bruno, Giuseppe; Janiak, Christoph; Enamullah, Mohammed","Schiff base ligands derived from 1,2-bis(2′-nitro-/amino-phenoxy)-3-R-benzene and 2-hydroxy-1-naphthaldehyde and their Cu/Zn(ii) complexes: synthesis, characterization, X-ray structures and computational studies","CrystEngComm","2021","23","36","6322","6339","10.1039/D1CE00829C","","","0.71073","MoKα","","0.1475","0.0907","","","0.2117","0.2438","","","","","","1.141","","","","has coordinates,has disorder","269674","2021-10-06","14:51:04",""
"7243412","11.3049","0.0004","17.2598","0.0007","15.7727","0.0006","90","","92.748","0.0015","90","","3074","0.2","150","2","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H28 N2 O4 Zn -","- C41 H28 N2 O4 Zn -","- C164 H112 N8 O16 Zn4 -","4","1","","Aryaeifar, Mahnaz; Amiri Rudbari, Hadi; Blacque, Olivier; Islam, Mohammad Khairul; Scopelliti, Rosario; Braun, Jason D.; Herbert, David E.; Bruno, Giuseppe; Janiak, Christoph; Enamullah, Mohammed","Schiff base ligands derived from 1,2-bis(2′-nitro-/amino-phenoxy)-3-R-benzene and 2-hydroxy-1-naphthaldehyde and their Cu/Zn(ii) complexes: synthesis, characterization, X-ray structures and computational studies","CrystEngComm","2021","23","36","6322","6339","10.1039/D1CE00829C","","","0.71073","MoKα","","0.0903","0.0482","","","0.0917","0.1069","","","","","","1.012","","","","has coordinates","269674","2021-10-06","14:51:04",""
"7243413","14.023","0.003","15.366","0.003","14.628","0.003","90","","109.68","0.03","90","","2967.9","1.2","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H28 N2 O4 -","- C40 H28 N2 O4 -","- C160 H112 N8 O16 -","4","0.5","","Aryaeifar, Mahnaz; Amiri Rudbari, Hadi; Blacque, Olivier; Islam, Mohammad Khairul; Scopelliti, Rosario; Braun, Jason D.; Herbert, David E.; Bruno, Giuseppe; Janiak, Christoph; Enamullah, Mohammed","Schiff base ligands derived from 1,2-bis(2′-nitro-/amino-phenoxy)-3-R-benzene and 2-hydroxy-1-naphthaldehyde and their Cu/Zn(ii) complexes: synthesis, characterization, X-ray structures and computational studies","CrystEngComm","2021","23","36","6322","6339","10.1039/D1CE00829C","","","0.71073","MoKα","","0.0543","0.0364","","","0.0956","0.1008","","","","","","1.035","","","","has coordinates","269674","2021-10-06","14:51:04",""
"7243416","30.983","0.004","30.983","0.004","31.523","0.007","90","","90","","90","","30260","9","120","","120","","","","","","","","","6","I 41 2 2","I 4bw 2bw","98","","","","- C80 H294 Cl10 N16 O179 Y14 -","- C80 H112 Cl6 N16 O108 Y14 -","- C320 H448 Cl24 N64 O432 Y56 -","4","0.25","","Lu, Tian-Qi; Yin, Jia-Jia; Chen, Cheng; Shi, Hai-Yan; Zheng, Jun; Liu, Zhengjie; Fang, Xiaolong; Zheng, Xiu-Ying","Two pairs of chiral lanthanide–oxo clusters Ln14 induced by amino acid derivatives","CrystEngComm","2021","23","39","6923","6929","10.1039/D1CE00948F","","","1.54186","CuKα","","0.1048","0.0631","","","0.1582","0.1943","","","","","","1.006","","","","has coordinates,has disorder","270435","2021-11-06","19:54:24",""
"7243417","31.0292","0.0005","31.0292","0.0005","31.3898","0.0006","90","","90","","90","","30222.5","0.9","120","","120","","","","","","","","","6","I 41 2 2","I 4bw 2bw","98","","","","- C80 H318 Cl10 Dy14 N16 O191 -","- C80 H112 Cl6 Dy14 N16 O108 -","- C320 H448 Cl24 Dy56 N64 O432 -","4","0.25","","Lu, Tian-Qi; Yin, Jia-Jia; Chen, Cheng; Shi, Hai-Yan; Zheng, Jun; Liu, Zhengjie; Fang, Xiaolong; Zheng, Xiu-Ying","Two pairs of chiral lanthanide–oxo clusters Ln14 induced by amino acid derivatives","CrystEngComm","2021","23","39","6923","6929","10.1039/D1CE00948F","","","0.71073","MoKα","","0.0851","0.0427","","","0.0835","0.0895","","","","","","0.807","","","","has coordinates,has disorder","270435","2021-11-06","19:54:24",""
"7243418","31.008","0.004","31.008","0.004","30.85","0.004","90","","90","","90","","29662","7","120","","120","","","","","","","","","6","I 41 2 2","I 4bw 2bw","98","","","","- C80 H294 Cl10 N16 O179 Y14 -","- C80 H112 Cl6 N16 O108 Y14 -","- C320 H448 Cl24 N64 O432 Y56 -","4","0.25","","Lu, Tian-Qi; Yin, Jia-Jia; Chen, Cheng; Shi, Hai-Yan; Zheng, Jun; Liu, Zhengjie; Fang, Xiaolong; Zheng, Xiu-Ying","Two pairs of chiral lanthanide–oxo clusters Ln14 induced by amino acid derivatives","CrystEngComm","2021","23","39","6923","6929","10.1039/D1CE00948F","","","1.54186","CuKα","","0.0514","0.0432","","","0.1208","0.1296","","","","","","1.032","","","","has coordinates,has disorder","270435","2021-11-06","19:54:24",""
"7243419","31.0353","0.0011","31.0353","0.0011","31.3981","0.0012","90","","90","","90","","30242.3","1.9","120","","120","","","","","","","","","6","I 41 2 2","I 4bw 2bw","98","","","","- C80 H318 Cl10 Dy14 N16 O191 -","- C80 H112 Cl6 Dy14 N16 O108 -","- C320 H448 Cl24 Dy56 N64 O432 -","4","0.25","","Lu, Tian-Qi; Yin, Jia-Jia; Chen, Cheng; Shi, Hai-Yan; Zheng, Jun; Liu, Zhengjie; Fang, Xiaolong; Zheng, Xiu-Ying","Two pairs of chiral lanthanide–oxo clusters Ln14 induced by amino acid derivatives","CrystEngComm","2021","23","39","6923","6929","10.1039/D1CE00948F","","","1.54186","CuKα","","0.1078","0.0976","","","0.2507","0.2673","","","","","","1.068","","","","has coordinates,has disorder","270435","2021-11-06","19:54:24",""
"7243420","20.206","0.007","6.6378","0.0019","20.461","0.005","90","","116.74","0.02","90","","2450.8","1.3","298","","298","","","","","","","","","4","I 1 2 1","I 2y","5","","","","- C25 H32 N2 O7 -","- C25 H32 N2 O7 -","- C100 H128 N8 O28 -","4","1","","Divya, Indira S.; Amrutha, Surendran; SeethaLekshmi, Sunil; Varughese, Sunil","Molecular salts of quinine: a crystal engineering route to enhance the aqueous solubility","CrystEngComm","2021","23","39","6942","6951","10.1039/D1CE00791B","","","0.71073","MoKα","","0.0927","0.0708","","","0.1952","0.2094","","","","","","1.003","","","","has coordinates","270433","2021-11-06","19:52:39",""
"7243421","6.943","0.003","17.066","0.006","20.466","0.008","90","","90","","90","","2425","1.7","298","","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H32 N2 O6 -","- C27 H32 N2 O6 -","- C108 H128 N8 O24 -","4","1","","Divya, Indira S.; Amrutha, Surendran; SeethaLekshmi, Sunil; Varughese, Sunil","Molecular salts of quinine: a crystal engineering route to enhance the aqueous solubility","CrystEngComm","2021","23","39","6942","6951","10.1039/D1CE00791B","","","0.71073","MoKα","","0.0824","0.0438","","","0.0841","0.0942","","","","","","0.831","","","","has coordinates","270433","2021-11-06","19:52:39",""
"7243422","19.945","0.01","6.698","0.004","18.303","0.01","90","","94.98","0.009","90","","2436","2","298","","298","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C23 H29 N2 O7 -","- C23 H29 N2 O7 -","- C92 H116 N8 O28 -","4","1","","Divya, Indira S.; Amrutha, Surendran; SeethaLekshmi, Sunil; Varughese, Sunil","Molecular salts of quinine: a crystal engineering route to enhance the aqueous solubility","CrystEngComm","2021","23","39","6942","6951","10.1039/D1CE00791B","","","0.71073","MoKα","","0.1203","0.0832","","","0.2214","0.2455","","","","","","0.945","","","","has coordinates","270433","2021-11-06","19:52:39",""
"7243423","21.387","0.01","6.419","0.003","18.467","0.008","90","","121.541","0.007","90","","2160.7","1.7","298","","298","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C21 H25 N2 O7 -","- C21 H25 N2 O7 -","- C84 H100 N8 O28 -","4","1","","Divya, Indira S.; Amrutha, Surendran; SeethaLekshmi, Sunil; Varughese, Sunil","Molecular salts of quinine: a crystal engineering route to enhance the aqueous solubility","CrystEngComm","2021","23","39","6942","6951","10.1039/D1CE00791B","","","0.71073","MoKα","","0.1078","0.0728","","","0.1904","0.2199","","","","","","0.95","","","","has coordinates","270433","2021-11-06","19:52:39",""
"7243424","6.6594","0.0003","11.845","0.0005","26.345","0.0013","90","","90","","90","","2078.11","0.16","100","2","100.02","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H28 N2 O6 -","- C23 H28 N2 O6 -","- C92 H112 N8 O24 -","4","1","","Divya, Indira S.; Amrutha, Surendran; SeethaLekshmi, Sunil; Varughese, Sunil","Molecular salts of quinine: a crystal engineering route to enhance the aqueous solubility","CrystEngComm","2021","23","39","6942","6951","10.1039/D1CE00791B","","","0.71073","MoKα","","0.0478","0.0461","","","0.1205","0.1224","","","","","","1.095","","","","has coordinates","270433","2021-11-06","19:52:39",""
"7243425","8.978","0.004","9.713","0.005","28.903","0.014","90","","90","","90","","2520","2","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H30 N2 O6 -","- C27 H30 N2 O6 -","- C108 H120 N8 O24 -","4","1","","Divya, Indira S.; Amrutha, Surendran; SeethaLekshmi, Sunil; Varughese, Sunil","Molecular salts of quinine: a crystal engineering route to enhance the aqueous solubility","CrystEngComm","2021","23","39","6942","6951","10.1039/D1CE00791B","","","0.71073","MoKα","","0.1296","0.0495","","","0.0916","0.1102","","","","","","0.766","","","","has coordinates","270433","2021-11-06","19:52:39",""
"7243426","6.5187","0.0003","10.9299","0.0006","17.6311","0.0009","99.531","0.002","97.444","0.002","106.711","0.002","1165.47","0.1","100","","99.98","","","","","","","","","4","P 1","P 1","1","","","","- C48 H62 N4 O15 -","- C48 H62 N4 O15 -","- C48 H62 N4 O15 -","1","1","","Divya, Indira S.; Amrutha, Surendran; SeethaLekshmi, Sunil; Varughese, Sunil","Molecular salts of quinine: a crystal engineering route to enhance the aqueous solubility","CrystEngComm","2021","23","39","6942","6951","10.1039/D1CE00791B","","","0.71073","MoKα","","0.054","0.0444","","","0.1041","0.1131","","","","","","1.05","","","","has coordinates,has disorder","270433","2021-11-06","19:52:39",""
"7243427","6.722","0.002","19.671","0.006","20.29","0.006","90","","90","","90","","2682.9","1.4","298","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H28 F6 N2 O7 -","- C24 H28 F6 N2 O7 -","- C96 H112 F24 N8 O28 -","4","1","","Divya, Indira S.; Amrutha, Surendran; SeethaLekshmi, Sunil; Varughese, Sunil","Molecular salts of quinine: a crystal engineering route to enhance the aqueous solubility","CrystEngComm","2021","23","39","6942","6951","10.1039/D1CE00791B","","","0.71073","MoKα","","0.1069","0.0591","","","0.1579","0.1813","","","","","","0.907","","","","has coordinates,has disorder","270433","2021-11-06","19:52:39",""
"7243428","6.5291","0.0019","19.368","0.006","20.431","0.006","90","","90","","90","","2583.6","1.3","298","","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H34 N2 O6 -","- C28 H34 N2 O6 -","- C112 H136 N8 O24 -","4","1","","Divya, Indira S.; Amrutha, Surendran; SeethaLekshmi, Sunil; Varughese, Sunil","Molecular salts of quinine: a crystal engineering route to enhance the aqueous solubility","CrystEngComm","2021","23","39","6942","6951","10.1039/D1CE00791B","","","0.71073","MoKα","","0.1069","0.051","","","0.0819","0.0982","","","","","","0.825","","","","has coordinates","270433","2021-11-06","19:52:39",""
"7243429","15.5984","0.0005","15.7897","0.0005","23.5416","0.0007","90","","90","","90","","5798.2","0.3","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C58 H66 N6 O15 S2 -","- C58 H66 N6 O15 S2 -","- C232 H264 N24 O60 S8 -","4","1","","Divya, Indira S.; Amrutha, Surendran; SeethaLekshmi, Sunil; Varughese, Sunil","Molecular salts of quinine: a crystal engineering route to enhance the aqueous solubility","CrystEngComm","2021","23","39","6942","6951","10.1039/D1CE00791B","","","0.71073","MoKα","","0.0468","0.0447","","","0.1184","0.1203","","","","","","1.035","","","","has coordinates","270433","2021-11-06","19:52:39",""
"7243430","30.0476","0.0016","6.6972","0.0003","21.922","0.0012","90","","127.752","0.007","90","","3488","0.5","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","AS-CND","","- C38 H50 N2 O9 -","- C38 H50 N2 O9 -","- C152 H200 N8 O36 -","4","1","","Jiang, Qi; Hirsh, David A.; Tu, Yifan; Luo, Laibin","Multicomponent crystals of an artemisinin derivative and cinchona alkaloids for use as antimalarial drugs","CrystEngComm","2021","23","39","6843","6847","10.1039/D1CE00974E","","","1.54178","CuKα","","0.0791","0.0692","","","0.155","0.16","","","","","","1.077","","","","has coordinates","270434","2021-11-06","19:53:17",""
"7243431","6.7848","0.0003","10.6171","0.0005","15.4805","0.0008","98.689","0.002","97.586","0.002","108.323","0.002","1027.12","0.09","100","","100","","","","","","","","","5","P 1","P 1","1","","QN HCl 2H2O","","- C20 H29 Cl N2 O4 -","- C20 H29 Cl N2 O4 -","- C40 H58 Cl2 N4 O8 -","2","2","","Jiang, Qi; Hirsh, David A.; Tu, Yifan; Luo, Laibin","Multicomponent crystals of an artemisinin derivative and cinchona alkaloids for use as antimalarial drugs","CrystEngComm","2021","23","39","6843","6847","10.1039/D1CE00974E","","x-ray","1.54178","CuKα","","0.0816","0.0804","","","0.2147","0.2213","","","","","","1.099","","","","has coordinates","270434","2021-11-06","19:53:17",""
"7243435","11.0719","0.0007","13.1489","0.001","11.7587","0.0006","90","","98.256","0.002","90","","1694.13","0.19","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H56 Co4 N12 O20 -","- C72 H56 Co4 N12 O20 -","- C72 H56 Co4 N12 O20 -","1","0.25","","Wei, Yaoyi; Zhu, Bin; Wang, Jinmiao; Wang, Lulu; Wu, Ruixue; Liu, Wenbo; Ma, Bingxiang; Yang, Dong; Fan, Yuhua; Zhang, Xia","A series of novel Co(ii)-based MOFs: syntheses, structural diversity, and various properties","CrystEngComm","2021","23","36","6376","6387","10.1039/D1CE00783A","","","0.71073","MoKα","","0.1398","0.0635","","","0.0912","0.1158","","","","","","1.064","","","","has coordinates","269681","2021-10-06","14:52:36",""
"7243436","9.4348","0.0014","9.9705","0.0016","11.5494","0.0018","68.346","0.003","83.463","0.003","76.625","0.003","981.9","0.3","220","","220","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H14 Co N3 O5 -","- C22 H14 Co N3 O5 -","- C44 H28 Co2 N6 O10 -","2","1","","Wei, Yaoyi; Zhu, Bin; Wang, Jinmiao; Wang, Lulu; Wu, Ruixue; Liu, Wenbo; Ma, Bingxiang; Yang, Dong; Fan, Yuhua; Zhang, Xia","A series of novel Co(ii)-based MOFs: syntheses, structural diversity, and various properties","CrystEngComm","2021","23","36","6376","6387","10.1039/D1CE00783A","","","0.71073","MoKα","","0.0582","0.0444","","","0.1305","0.1545","","","","","","1.151","","","","has coordinates","269681","2021-10-06","14:52:37",""
"7243437","10.0359","0.0006","14.6155","0.001","19.1561","0.0014","76.537","0.002","89.864","0.003","89.195","0.002","2732.3","0.3","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C50 H34 Co3 N8 O17 -","- C50 H34 Co3 N8 O17 -","- C100 H68 Co6 N16 O34 -","2","1","","Wei, Yaoyi; Zhu, Bin; Wang, Jinmiao; Wang, Lulu; Wu, Ruixue; Liu, Wenbo; Ma, Bingxiang; Yang, Dong; Fan, Yuhua; Zhang, Xia","A series of novel Co(ii)-based MOFs: syntheses, structural diversity, and various properties","CrystEngComm","2021","23","36","6376","6387","10.1039/D1CE00783A","","","0.71073","MoKα","","0.1011","0.064","","","0.1601","0.1791","","","","","","1.053","","","","has coordinates","269681","2021-10-06","14:52:37",""
"7243438","7.908","0.0002","9.0612","0.0002","18.642","0.0003","95.133","0.002","100.853","0.002","107.104","0.002","1238.88","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H42 Cd3 O24 -","- C54 H42 Cd3 O24 -","- C54 H42 Cd3 O24 -","1","0.5","","Du, Lin; Lu, Lu; Shi, Chuncheng; Wang, Hong-Yan; Wang, Jun; Singh, Amita; Kumar, Abhinav","New Cd(ii) coordination polymers bearing Y-shaped tricarboxylate ligands as photocatalysts for dye degradation","CrystEngComm","2021","23","36","6400","6408","10.1039/D1CE00640A","","x-ray","1.54184","CuKα","","0.0365","0.0349","","","0.0909","0.0946","","","","","","1.064","","","","has coordinates","269678","2021-10-06","14:52:08",""
"7243439","6.1936","0.0005","15.2015","0.0012","18.859","0.0014","71.913","0.001","89.28","0.001","89.947","0.002","1687.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H52 Cd2 N4 O22 -","- C78 H52 Cd2 N4 O22 -","- C78 H52 Cd2 N4 O22 -","1","0.5","","Du, Lin; Lu, Lu; Shi, Chuncheng; Wang, Hong-Yan; Wang, Jun; Singh, Amita; Kumar, Abhinav","New Cd(ii) coordination polymers bearing Y-shaped tricarboxylate ligands as photocatalysts for dye degradation","CrystEngComm","2021","23","36","6400","6408","10.1039/D1CE00640A","","","0.71073","MoKα","","0.0905","0.0501","","","0.0995","0.128","","","","","","1.01","","","","has coordinates","269678","2021-10-06","14:52:08",""
"7243451","25.85","0.005","13.375","0.003","27.037","0.005","90","","91.89","0.03","90","","9343","3","100","2","100","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C17 H88 Ce2.5 N2.5 O91 P4 W16 -","- C14 H16 Ce2.5 N O85.5 P4 W16 -","- C56 H64 Ce10 N4 O342 P16 W64 -","4","1","","Wang, Wenyan; Izarova, Natalya V.; van Leusen, Jan; Kögerler, Paul","A phosphonate–lanthanoid polyoxometalate coordination polymer: {Ce2P2W16O60L2}n zipper chains","CrystEngComm","2021","23","35","5989","5993","10.1039/D1CE00896J","","","0.71073","MoKα","","0.0708","0.0692","","","0.1891","0.1919","","","","","","1.019","","","","has coordinates,has disorder","269689","2021-10-06","14:54:23",""
"7243452","7.177","0.0014","7.455","0.0015","11.03","0.002","105.64","0.03","97.57","0.03","90.8","0.03","562.6","0.2","220","2","220","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H28 N4 O2 S2 -","- C24 H28 N4 O2 S2 -","- C24 H28 N4 O2 S2 -","1","0.5","","Gayathri, Parthasarathy; Kanagajothi, Karuppaiah; Nag, Probal; Anand, Neethu; Reddy, Vennapusa Sivaranjana; Moon, Dohyun; Anthony, Savarimuthu Philip; Madhu, Vedichi","Symmetrical and unsymmetrical thiazole based ESIPT derivatives: Highly selective fluorescence sensing of Cu2+ and structure controlled reversible mechanofluorochromism","CrystEngComm","2021","","","","","10.1039/D1CE00927C","","","0.63","synchrotron","","0.1284","0.0943","","","0.2936","0.317","","","","","","1.115","","","","has coordinates,has disorder","268334","2021-08-31","22:44:22",""
"7243453","6.633","0.0013","8.53","0.0017","19.929","0.004","90","","94.24","0.03","90","","1124.5","0.4","220","2","220","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H30 N4 O2 S -","- C24 H30 N4 O2 S -","- C48 H60 N8 O4 S2 -","2","1","","Gayathri, Parthasarathy; Kanagajothi, Karuppaiah; Nag, Probal; Anand, Neethu; Reddy, Vennapusa Sivaranjana; Moon, Dohyun; Anthony, Savarimuthu Philip; Madhu, Vedichi","Symmetrical and unsymmetrical thiazole based ESIPT derivatives: Highly selective fluorescence sensing of Cu2+ and structure controlled reversible mechanofluorochromism","CrystEngComm","2021","","","","","10.1039/D1CE00927C","","","0.61","synchrotron","","0.0583","0.0545","","","0.1556","0.1585","","","","","","1.051","","","","has coordinates","268334","2021-08-31","22:44:23",""
"7243455","8.748","0.0008","8.7951","0.0008","15.4152","0.0018","96.274","0.009","97.889","0.009","98.627","0.008","1151.3","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H24 N2 O5 -","- C28 H24 N2 O5 -","- C56 H48 N4 O10 -","2","1","","Sendh, Jagajiban; Singh, Munendra Pal; Baruah, Jubaraj B.","5-[(Pyren-9-ylmethyl)amino]isophthalic acid with nitrogen containing heterocycles: stacking, N–H⋯π interactions and photoluminescence","CrystEngComm","2021","23","39","6952","6966","10.1039/D1CE01099A","","","0.71073","MoKα","","0.1562","0.0612","","","0.072","0.0916","","","","","","1.04","","","","has coordinates","270430","2021-11-06","19:51:57",""
"7243456","7.9646","0.0015","12.144","0.002","14.685","0.003","112.558","0.002","90.032","0.003","99.526","0.002","1290.4","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H26 N4 O4 -","- C31 H26 N4 O4 -","- C62 H52 N8 O8 -","2","1","","Sendh, Jagajiban; Singh, Munendra Pal; Baruah, Jubaraj B.","5-[(Pyren-9-ylmethyl)amino]isophthalic acid with nitrogen containing heterocycles: stacking, N–H⋯π interactions and photoluminescence","CrystEngComm","2021","23","39","6952","6966","10.1039/D1CE01099A","","","0.71073","MoKα","","0.0876","0.0543","","","0.1512","0.1745","","","","","","1.029","","","","has coordinates","270430","2021-11-06","19:51:57",""
"7243457","8.8551","0.0007","9.9074","0.0007","14.9941","0.0012","103.891","0.006","95.539","0.006","112.603","0.007","1152.44","0.18","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H21 N2 O4 -","- C31 H21 N2 O4 -","- C62 H42 N4 O8 -","2","1","","Sendh, Jagajiban; Singh, Munendra Pal; Baruah, Jubaraj B.","5-[(Pyren-9-ylmethyl)amino]isophthalic acid with nitrogen containing heterocycles: stacking, N–H⋯π interactions and photoluminescence","CrystEngComm","2021","23","39","6952","6966","10.1039/D1CE01099A","","","0.71073","MoKα","","0.086","0.0582","","","0.1416","0.1642","","","","","","1.042","","","","has coordinates","270430","2021-11-06","19:51:57",""
"7243458","9.065","0.001","12.112","0.002","13.231","0.003","110.005","0.017","94.095","0.012","105.378","0.013","1294.9","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H25 N3 O4 -","- C35 H25 N3 O4 -","- C70 H50 N6 O8 -","2","1","","Sendh, Jagajiban; Singh, Munendra Pal; Baruah, Jubaraj B.","5-[(Pyren-9-ylmethyl)amino]isophthalic acid with nitrogen containing heterocycles: stacking, N–H⋯π interactions and photoluminescence","CrystEngComm","2021","23","39","6952","6966","10.1039/D1CE01099A","","","0.71073","MoKα","","0.193","0.087","","","0.1564","0.205","","","","","","1.009","","","","has coordinates","270430","2021-11-06","19:51:57",""
"7243459","7.6359","0.0005","13.6124","0.0009","14.8657","0.0008","103.866","0.005","103.123","0.005","100.924","0.005","1411.53","0.17","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H26 N6 O4 -","- C34 H26 N6 O4 -","- C68 H52 N12 O8 -","2","1","","Sendh, Jagajiban; Singh, Munendra Pal; Baruah, Jubaraj B.","5-[(Pyren-9-ylmethyl)amino]isophthalic acid with nitrogen containing heterocycles: stacking, N–H⋯π interactions and photoluminescence","CrystEngComm","2021","23","39","6952","6966","10.1039/D1CE01099A","","","0.71073","MoKα","","0.0883","0.0538","","","0.1294","0.1515","","","","","","1.017","","","","has coordinates","270430","2021-11-06","19:51:57",""
"7243460","7.1375","0.0007","12.3754","0.0011","19.214","0.0016","94.647","0.007","98.852","0.007","98.195","0.008","1650.6","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H29 N5 O9 -","- C33 H29 N5 O9 -","- C66 H58 N10 O18 -","2","1","","Sendh, Jagajiban; Singh, Munendra Pal; Baruah, Jubaraj B.","5-[(Pyren-9-ylmethyl)amino]isophthalic acid with nitrogen containing heterocycles: stacking, N–H⋯π interactions and photoluminescence","CrystEngComm","2021","23","39","6952","6966","10.1039/D1CE01099A","","","0.71073","MoKα","","0.2393","0.1364","","","0.283","0.3282","","","","","","1.069","","","","has coordinates","270430","2021-11-06","19:51:57",""
"7243461","9.7458","0.0003","9.7458","0.0003","74.416","0.002","90","","90","","90","","7068.1","0.4","340","1","340","0.1","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C46 H36 Br4 Cl2 S32 Zn -","- C46 H36 Br4 Cl2 S32 Zn -","- C184 H144 Br16 Cl8 S128 Zn4 -","4","0.25","","Shilov, Gennady V.; Zhilyaeva, Elena I.; Aldoshin, Sergey M.; Flakina, Alexandra M.; Lyubovskii, Rustem B.; Pesotskii, Sergei I.; Lyubovskaya, Rimma N.","Evolution of crystal structure of dual layered molecular conductor (ET)4ZnBr4(C6H4Cl2) with temperature","CrystEngComm","2021","23","37","6620","6625","10.1039/D1CE00902H","","","0.7107","MoKα","","0.1497","0.0747","","","0.1741","0.2294","","","","","","0.93","","","","has coordinates,has disorder","269671","2021-10-06","14:49:34",""
"7243462","9.478","0.0003","9.9772","0.0003","74.311","0.002","91.03","0.003","90.423","0.002","90.136","0.003","7025.8","0.4","315","1","315","1","","","","","","","","6","I -1","-I 1","2","","","","- C46 H36 Br4 Cl2 S32 Zn -","- C46 H36 Br4 Cl2 S32 Zn -","- C184 H144 Br16 Cl8 S128 Zn4 -","4","","","Shilov, Gennady V.; Zhilyaeva, Elena I.; Aldoshin, Sergey M.; Flakina, Alexandra M.; Lyubovskii, Rustem B.; Pesotskii, Sergei I.; Lyubovskaya, Rimma N.","Evolution of crystal structure of dual layered molecular conductor (ET)4ZnBr4(C6H4Cl2) with temperature","CrystEngComm","2021","23","37","6620","6625","10.1039/D1CE00902H","","","0.7107","MoKα","","0.1607","0.0847","","","0.1527","0.1954","","","","","","1.043","","","","has coordinates,has disorder","269671","2021-10-06","14:49:34",""
"7243463","9.31052","0.00018","9.9603","0.0002","74.2011","0.0015","91.3016","0.0016","90.4551","0.0016","90.3631","0.0016","6878.9","0.2","180","1","180","1","","","","","","","","6","I -1","-I 1","2","","","","- C46 H36 Br4 Cl2 S32 Zn -","- C46 H36 Br4 Cl2 S32 Zn -","- C184 H144 Br16 Cl8 S128 Zn4 -","4","","","Shilov, Gennady V.; Zhilyaeva, Elena I.; Aldoshin, Sergey M.; Flakina, Alexandra M.; Lyubovskii, Rustem B.; Pesotskii, Sergei I.; Lyubovskaya, Rimma N.","Evolution of crystal structure of dual layered molecular conductor (ET)4ZnBr4(C6H4Cl2) with temperature","CrystEngComm","2021","23","37","6620","6625","10.1039/D1CE00902H","","","0.7107","MoKα","","0.1027","0.0776","","","0.1211","0.1314","","","","","","1.113","","","","has coordinates","269671","2021-10-06","14:49:34",""
"7243464","9.38534","0.00017","9.99249","0.00019","74.2113","0.0014","91.1767","0.0015","90.4551","0.0015","90.1829","0.0015","6958","0.2","280","1","280","1","","","","","","","","6","I -1","-I 1","2","","","","- C46 H36 Br4 Cl2 S32 Zn -","- C46 H36 Br4 Cl2 S32 Zn -","- C184 H144 Br16 Cl8 S128 Zn4 -","4","","","Shilov, Gennady V.; Zhilyaeva, Elena I.; Aldoshin, Sergey M.; Flakina, Alexandra M.; Lyubovskii, Rustem B.; Pesotskii, Sergei I.; Lyubovskaya, Rimma N.","Evolution of crystal structure of dual layered molecular conductor (ET)4ZnBr4(C6H4Cl2) with temperature","CrystEngComm","2021","23","37","6620","6625","10.1039/D1CE00902H","","","0.7107","MoKα","","0.0988","0.0593","","","0.1022","0.1221","","","","","","0.991","","","","has coordinates","269671","2021-10-06","14:49:34",""
"7243465","9.28488","0.00018","9.9294","0.0002","74.1606","0.0014","91.2956","0.0017","90.4755","0.0015","90.4013","0.0018","6834.9","0.2","130","1","130","1","","","","","","","","6","I -1","-I 1","2","","","","- C46 H36 Br4 Cl2 S32 Zn -","- C46 H36 Br4 Cl2 S32 Zn -","- C184 H144 Br16 Cl8 S128 Zn4 -","4","","","Shilov, Gennady V.; Zhilyaeva, Elena I.; Aldoshin, Sergey M.; Flakina, Alexandra M.; Lyubovskii, Rustem B.; Pesotskii, Sergei I.; Lyubovskaya, Rimma N.","Evolution of crystal structure of dual layered molecular conductor (ET)4ZnBr4(C6H4Cl2) with temperature","CrystEngComm","2021","23","37","6620","6625","10.1039/D1CE00902H","","","0.7107","MoKα","","0.0974","0.0719","","","0.1386","0.1494","","","","","","1.089","","","","has coordinates","269671","2021-10-06","14:49:34",""
"7243466","9.3549","0.0002","9.9886","0.0003","74.2441","0.0018","91.25","0.002","90.478","0.002","90.243","0.002","6935.6","0.3","240","1","240","0.1","","","","","","","","6","I -1","-I 1","2","","","","- C46 H36 Br4 Cl2 S32 Zn -","- C46 H36 Br4 Cl2 S32 Zn -","- C184 H144 Br16 Cl8 S128 Zn4 -","4","","","Shilov, Gennady V.; Zhilyaeva, Elena I.; Aldoshin, Sergey M.; Flakina, Alexandra M.; Lyubovskii, Rustem B.; Pesotskii, Sergei I.; Lyubovskaya, Rimma N.","Evolution of crystal structure of dual layered molecular conductor (ET)4ZnBr4(C6H4Cl2) with temperature","CrystEngComm","2021","23","37","6620","6625","10.1039/D1CE00902H","","","0.7107","MoKα","","0.1116","0.0678","","","0.1254","0.1432","","","","","","1.027","","","","has coordinates","269671","2021-10-06","14:49:34",""
"7243467","7.3905","0.0002","8.8156","0.0003","16.4817","0.0005","90","","90","","90","","1073.81","0.06","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 Ca3 K2 O12 -","- C4 Ca3 K2 O12 -","- C16 Ca12 K8 O48 -","4","1","","Rashchenko, Sergey V.; Shatskiy, Anton F.; Ignatov, Mark A.; Arefiev, Anton V.; Litasov, Konstantin D.","High-pressure synthesis and crystal structure of non-centrosymmetric K2Ca3(CO3)4","CrystEngComm","2021","23","38","6675","6681","10.1039/D1CE00882J","","x-ray","0.71073","MoKα","","0.0358","0.0266","","","0.0532","0.0558","","","","1.351","1.351","1.3081","","","","has coordinates","270447","2021-11-06","19:59:15",""
"7243468","9.0827","0.0004","9.5303","0.0005","15.2656","0.0005","81.275","0.004","78.069","0.003","85.015","0.004","1275.79","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Clotrimazole 2,4-dicarboxybenzoate","1-((2-chlorophenyl)(diphenyl)methyl)-1H-imidazol-3-ium 2,4-dicarboxybenzoate","","- C31 H23 Cl N2 O6 -","- C31 H23 Cl N2 O6 -","- C62 H46 Cl2 N4 O12 -","2","1","","Li, Chang; Wu, Di; Li, Jiulong; Ji, Xu; Qi, Luguang; Sun, Qin; Wang, Aiyu; Xie, Chuang; Gong, Junbo; Chen, Wei","Multicomponent crystals of clotrimazole: a combined theoretical and experimental study","CrystEngComm","2021","23","39","6977","6993","10.1039/D1CE00934F","","","0.71073","MoKα","","0.041","0.0365","","","0.0917","0.0951","","","","","","1.038","","","","has coordinates","270436","2021-11-06","19:54:37",""
"7243469","9.1618","0.0007","10.0986","0.0008","14.4711","0.001","80.377","0.006","78.44","0.006","86.267","0.006","1292.58","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Clotrimazole 3,5-dinitrosalicylate","1-((2-chlorophenyl)(diphenyl)methyl)-1H-imidazol-3-ium 2-hydroxy-3,5-dinitrobenzoate","","- C29 H21 Cl N4 O7 -","- C29 H21 Cl N4 O7 -","- C58 H42 Cl2 N8 O14 -","2","1","","Li, Chang; Wu, Di; Li, Jiulong; Ji, Xu; Qi, Luguang; Sun, Qin; Wang, Aiyu; Xie, Chuang; Gong, Junbo; Chen, Wei","Multicomponent crystals of clotrimazole: a combined theoretical and experimental study","CrystEngComm","2021","23","39","6977","6993","10.1039/D1CE00934F","","","0.71073","MoKα","","0.1457","0.0657","","","0.1546","0.196","","","","","","1.027","","","","has coordinates","270436","2021-11-06","19:54:40",""
"7243470","9.4734","0.0004","12.1901","0.0006","13.6109","0.0007","78.39","0.004","71.852","0.004","89.207","0.004","1461.05","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Clotrimazole 4-Carboxy-1-naphthoate","1-((2-chlorophenyl)(diphenyl)methyl)-1H-imidazol-3-ium 4-Carboxy-1-naphthoate","","- C36 H31 Cl N2 O5 -","- C36 H31 Cl N2 O5 -","- C72 H62 Cl2 N4 O10 -","2","1","","Li, Chang; Wu, Di; Li, Jiulong; Ji, Xu; Qi, Luguang; Sun, Qin; Wang, Aiyu; Xie, Chuang; Gong, Junbo; Chen, Wei","Multicomponent crystals of clotrimazole: a combined theoretical and experimental study","CrystEngComm","2021","23","39","6977","6993","10.1039/D1CE00934F","","","0.71073","MoKα","","0.0767","0.0653","","","0.1733","0.1862","","","","","","1.049","","","","has coordinates,has disorder","270436","2021-11-06","19:54:40",""
"7243471","8.7637","0.0005","9.2884","0.0005","15.7219","0.0008","106.107","0.005","103.639","0.005","90.928","0.005","1190.29","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Clotrimazole 3-Nitrobenzoic acid","1-((2-chlorophenyl)(diphenyl)methyl)-1H-imidazole 3-Nitrobenzoic acid","","- C29 H22 Cl N3 O4 -","- C29 H22 Cl N3 O4 -","- C58 H44 Cl2 N6 O8 -","2","1","","Li, Chang; Wu, Di; Li, Jiulong; Ji, Xu; Qi, Luguang; Sun, Qin; Wang, Aiyu; Xie, Chuang; Gong, Junbo; Chen, Wei","Multicomponent crystals of clotrimazole: a combined theoretical and experimental study","CrystEngComm","2021","23","39","6977","6993","10.1039/D1CE00934F","","","0.71073","MoKα","","0.0958","0.0674","","","0.1702","0.1921","","","","","","1.036","","","","has coordinates","270436","2021-11-06","19:54:40",""
"7243472","8.6793","0.0003","10.6795","0.0006","13.6524","0.0007","95.603","0.004","95.284","0.004","97.549","0.004","1241.41","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Clotrimazole Indole-6-carboxylic acid","1-((2-chlorophenyl)(diphenyl)methyl)-1H-imidazole Indole-6-carboxylic acid","","- C31 H24 Cl N3 O2 -","- C31 H24 Cl N3 O2 -","- C62 H48 Cl2 N6 O4 -","2","1","","Li, Chang; Wu, Di; Li, Jiulong; Ji, Xu; Qi, Luguang; Sun, Qin; Wang, Aiyu; Xie, Chuang; Gong, Junbo; Chen, Wei","Multicomponent crystals of clotrimazole: a combined theoretical and experimental study","CrystEngComm","2021","23","39","6977","6993","10.1039/D1CE00934F","","x-ray","0.71073","MoKα","","0.076","0.0538","","","0.122","0.1395","","","","","","1.045","","","","has coordinates","270436","2021-11-06","19:54:40",""
"7243473","9.0175","0.0004","9.9958","0.0005","16.7343","0.0008","86.397","0.004","75.472","0.004","86.959","0.004","1456.18","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Clotrimazole Syringic acid","1-((2-chlorophenyl)diphenylmethyl)-1h-imidazol 4-Hydroxy-3,5-dimethoxybenzoic acid","","- C33 H30 Cl N3 O5 -","- C33 H30 Cl N3 O5 -","- C66 H60 Cl2 N6 O10 -","2","1","","Li, Chang; Wu, Di; Li, Jiulong; Ji, Xu; Qi, Luguang; Sun, Qin; Wang, Aiyu; Xie, Chuang; Gong, Junbo; Chen, Wei","Multicomponent crystals of clotrimazole: a combined theoretical and experimental study","CrystEngComm","2021","23","39","6977","6993","10.1039/D1CE00934F","","","0.71073","MoKα","","0.0571","0.0475","","","0.1192","0.1273","","","","","","1.05","","","","has coordinates","270436","2021-11-06","19:54:40",""
"7243474","21.0772","0.0007","8.2738","0.0003","13.8978","0.0005","90","","90","","90","","2423.62","0.15","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","Clotrimazole 2,3-dihydroxybenzoate","1-((2-chlorophenyl)(diphenyl)methyl)-1H-imidazol-3-ium 2,3-dihydroxybenzoate","","- C29 H23 Cl N2 O4 -","- C29 H23 Cl N2 O4 -","- C116 H92 Cl4 N8 O16 -","4","1","","Li, Chang; Wu, Di; Li, Jiulong; Ji, Xu; Qi, Luguang; Sun, Qin; Wang, Aiyu; Xie, Chuang; Gong, Junbo; Chen, Wei","Multicomponent crystals of clotrimazole: a combined theoretical and experimental study","CrystEngComm","2021","23","39","6977","6993","10.1039/D1CE00934F","","x-ray","0.71073","MoKα","","0.0649","0.0507","","","0.1065","0.1188","","","","","","1.076","","","","has coordinates","270436","2021-11-06","19:54:40",""
"7243475","11.7142","0.0006","15.503","0.0007","16.6489","0.0008","69.389","0.004","89.642","0.004","89.69","0.004","2829.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Clotrimazolium Pyromellitate","1-((2-chlorophenyl)(diphenyl)methyl)-1H-imidazol-3-ium trihydrogen 1,2,4,5-Benzenetetracarboxylate","","- C32 H23 Cl N2 O8 -","- C32 H23 Cl N2 O8 -","- C128 H92 Cl4 N8 O32 -","4","2","","Li, Chang; Wu, Di; Li, Jiulong; Ji, Xu; Qi, Luguang; Sun, Qin; Wang, Aiyu; Xie, Chuang; Gong, Junbo; Chen, Wei","Multicomponent crystals of clotrimazole: a combined theoretical and experimental study","CrystEngComm","2021","23","39","6977","6993","10.1039/D1CE00934F","","","0.71073","MoKα","","0.1314","0.0705","","","0.1596","0.2005","","","","","","1.029","","","","has coordinates","270436","2021-11-06","19:54:40",""
"7243476","8.8976","0.0004","12.8529","0.0007","13.9071","0.0007","102.931","0.004","98.041","0.004","106.569","0.004","1449.97","0.14","294.15","","294.15","","","","","","","","","5","P -1","-P 1","2","Clotrimazole 3,5-Dinitrobenzoate","1-((2-chlorophenyl)(diphenyl)methyl)-1H-imidazol-3-ium 3,5-Dinitrobenzoate","","- C31 H27 Cl N4 O7 -","- C31 H27 Cl N4 O7 -","- C62 H54 Cl2 N8 O14 -","2","1","","Li, Chang; Wu, Di; Li, Jiulong; Ji, Xu; Qi, Luguang; Sun, Qin; Wang, Aiyu; Xie, Chuang; Gong, Junbo; Chen, Wei","Multicomponent crystals of clotrimazole: a combined theoretical and experimental study","CrystEngComm","2021","23","39","6977","6993","10.1039/D1CE00934F","","x-ray","0.71073","MoKα","","0.0648","0.0482","","","0.1157","0.128","","","","","","1.03","","","","has coordinates","270436","2021-11-06","19:54:40",""
"7243477","23.728","0.003","13.165","0.002","30.085","0.006","90","","90","","90","","9398","3","175","2","175","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H12 Cd O7 P -","- C21 H12 Cd O7 P -","- C168 H96 Cd8 O56 P8 -","8","1","","Peng, Shuang; Qi, Yan-Jie; Li, Xin-Hao; Sun, Cai; Li, Ling-Yun; Li, Xin-Xiong; Zheng, Shou-Tian; Zhang, Qichun","Two isomeric zeolite-like metal‒organic frameworks with mechanically responsive luminescence emission and gas adsorption properties","CrystEngComm","2021","23","34","5753","5757","10.1039/D1CE00464F","","","0.71073","MoKα","","0.0562","0.0456","","","0.1368","0.1425","","","","","","1.052","","","","has coordinates","268482","2021-09-04","19:55:38",""
"7243478","15.135","0.004","22.028","0.005","18.37","0.004","90","","101.248","0.004","90","","6007","2","175","2","175","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 Cd O7 P -","- C21 H12 Cd O7 P -","- C168 H96 Cd8 O56 P8 -","8","2","","Peng, Shuang; Qi, Yan-Jie; Li, Xin-Hao; Sun, Cai; Li, Ling-Yun; Li, Xin-Xiong; Zheng, Shou-Tian; Zhang, Qichun","Two isomeric zeolite-like metal‒organic frameworks with mechanically responsive luminescence emission and gas adsorption properties","CrystEngComm","2021","23","34","5753","5757","10.1039/D1CE00464F","","","0.71073","MoKα","","0.085","0.044","","","0.111","0.119","","","","","","1.004","","","","has coordinates","268482","2021-09-04","19:55:39",""
"7243483","8.09","0.003","16.018","0.007","3.5317","0.0014","90","","101.284","0.004","90","","448.8","0.3","296","2","296","2","","","","","","","","4","C 1 m 1","C -2y","8","","","","- B3 Ca4 Ho O10 -","- B3 Ca4.0004 Ho0.9996 O10 -","- B6 Ca8.0008 Ho1.9992 O20 -","2","0.5","","Yu, Pingzhang; Pan, Xiaobo; Wu, Guangda; Liu, Yanqing; Yu, Fapeng; Wang, Zhengping; Xu, Xinguang","Crystal growth, optical, thermal and piezoelectric properties of HoCa4O(BO3)3 crystal","CrystEngComm","2021","23","37","6574","6581","10.1039/D1CE00816A","","x-ray","0.71073","MoKα","","0.0292","0.0291","","","0.0777","0.0777","","","","","","1.063","","","","has coordinates,has disorder","269672","2021-10-06","14:49:41",""
"7243484","19.133","0.005","24.566","0.007","15.782","0.005","90","","108.873","0.006","90","","7019","4","100","2","100","2","","","","","","","Co-precipitation and slow evaporation","3","C 1 2 1","C 2y","5","Beta-cyclodextrin valproic acid 19.0 hydrate","'5,10,15,20,25,30,35-heptakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol 2-propylpentanoic acid 19.9 hydrate'","","- C100 H210 O93 -","- C84 H130 O89.184 -","- C168 H260 O178.368 -","2","0.5","","Vicatos, A. I.; Caira, M. R.","Cyclodextrin complexes of the anticonvulsant agent valproic acid","CrystEngComm","2021","23","37","6582","6590","10.1039/D1CE01024G","","","0.71073","MoKα","","0.132","0.0997","","","0.2742","0.3047","","","","","","1.12","","","","has coordinates","269670","2021-10-06","14:48:45",""
"7243485","10.396","0.002","15.111","0.003","25.494","0.005","83.247","0.004","81.556","0.004","89.475","0.004","3933.9","1.3","173","2","173","2","","","","","","","","3","P 1","P 1","1","DIMEB valproic acid clathrate hydrate","heptakis(2,6-di-O-methyl)-beta-cyclodextrin 2-propylpentanoic acidhydrate (2:2:3.9)","","- C129 H237.8 O77.88 -","- C129 H226 O77.87 -","- C129 H226 O77.87 -","1","1","","Vicatos, A. I.; Caira, M. R.","Cyclodextrin complexes of the anticonvulsant agent valproic acid","CrystEngComm","2021","23","37","6582","6590","10.1039/D1CE01024G","","","0.71073","MoKα","","0.1494","0.1055","","","0.2904","0.3294","","","","","","1.186","","","","has coordinates","269670","2021-10-06","14:48:57",""
"7243486","15.337","0.003","20.728","0.004","23.104","0.005","90","","90","","90","","7345","3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","permethylated alpha-cyclodextrin valproic acid hydrate","hexakis-(2,3,6-tri-O-methyl)-cyclomaltohexaose 2-propylpentanoic acid clathrate hydrate","","- C62 H114.4 O33.2 -","- C62 H112 O32.5 -","- C248 H448 O130 -","4","1","","Vicatos, A. I.; Caira, M. R.","Cyclodextrin complexes of the anticonvulsant agent valproic acid","CrystEngComm","2021","23","37","6582","6590","10.1039/D1CE01024G","","","0.71073","MoKα","","0.1342","0.0676","","","0.1482","0.1761","","","","","","1.016","","","","has coordinates,has disorder","269670","2021-10-06","14:49:00",""
"7243487","23.745","0.004","23.745","0.004","23.1","0.005","90","","90","","90","","13024","4","293","2","293","2","","","","","","","","3","P 4 21 2","P 4ab 2ab","90","tris(gamma-cyclodextrin) tetrakis(valproic acid) clathrate hydrate","tris(cyclooctylamylose) tetrakis(2-propylpentanoic acid) clathrate hydrate","","- C176 H402 O177 -","- C144 H216 O155.88 -","- C288 H432 O311.76 -","2","0.25","","Vicatos, A. I.; Caira, M. R.","Cyclodextrin complexes of the anticonvulsant agent valproic acid","CrystEngComm","2021","23","37","6582","6590","10.1039/D1CE01024G","","","0.71073","MoKα","","0.1554","0.1431","","","0.4024","0.4101","","","","","","1.73","","","","has coordinates","269670","2021-10-06","14:49:10",""
"7243488","13.5174","0.0003","13.5174","0.0003","14.9399","0.0003","90","","90","","90","","2729.82","0.1","293","","293","","","","","","","","","5","P 42/m b c","-P 4c 2ab","135","","","","- B7 Ba12 F4 Li O21 -","- B7 Ba12 F4 Li O21 -","- B28 Ba48 F16 Li4 O84 -","4","0.25","","Bekker, T. B.; Yelisseyev, A. P.; Solntsev, V. P.; Davydov, A. V.; Inerbaev, T. M.; Rashchenko, S. V.; Kostyukov, A. I.","The influence of co-doping on the luminescence and thermoluminescence properties of Cu-containing fluoride borate crystals","CrystEngComm","2021","23","37","6599","6609","10.1039/D1CE00556A","","x-ray","0.71073","MoKα","","0.0393","0.0285","","","0.0614","0.0644","","","","1.7897","1.7897","1.6973","","","","has coordinates","269673","2021-10-06","14:49:48",""
"7243489","15.186","0.003","15.21","0.003","26.964","0.005","91.53","0.03","102.04","0.03","91.69","0.03","6085","2","100","","100","","","","","","","","","5","P -1","-P 1","2","","catena-[(m-N,N''-(biphenyl-4,4'-diyl)diisonicotinamide)-bis(m-biphenyl-4,4'-dicarboxylato)-di-zinc(ii)guest N,N-dimethylformamide solvate]","","- C94 H83 N8 O18 Zn3 -","- C94 H83 N8 O18 Zn3 -","- C188 H166 N16 O36 Zn6 -","2","1","","Mazzeo, Paolo P.; Balestri, Davide; Bacchi, Alessia; Pelagatti, Paolo","Stabilization of liquid active guests via nanoconfinement into a flexible microporous metal–organic framework","CrystEngComm","2021","23","41","7262","7269","10.1039/D1CE00899D","","","0.7","Synchrotron","","0.0713","0.0705","","","0.2002","0.2007","","","","","","1.044","","","","has coordinates,has disorder","270417","2021-11-06","19:49:14",""
"7243490","21.473","0.005","21.553","0.0009","26.886","0.002","94.896","0.003","102.406","0.008","89.986","0.014","12106","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C130.35 H132.3 N8.95 O22.3 Zn3 -","- C130.35 H132.3 N8.95 O22.3 Zn3 -","- C521.4 H529.2 N35.8 O89.2 Zn12 -","4","2","","Mazzeo, Paolo P.; Balestri, Davide; Bacchi, Alessia; Pelagatti, Paolo","Stabilization of liquid active guests via nanoconfinement into a flexible microporous metal–organic framework","CrystEngComm","2021","23","41","7262","7269","10.1039/D1CE00899D","","","0.7","","","0.0589","0.0534","","","0.1407","0.1462","","","","","","1.038","","","","has coordinates,has disorder","270417","2021-11-06","19:49:14",""
"7243491","15.263","0.003","30.497","0.006","26.95","0.005","89.2","0.03","82.16","0.03","87.8","0.03","12418","4","100","","100.15","","","","","","","","","5","P -1","-P 1","2","PUM168@propofol","","","- C126.62 H125.75 N7.62 O20.25 Zn3 -","- C126.625 H125.75 N7.625 O20.25 Zn3 -","- C506.5 H503 N30.5 O81 Zn12 -","4","2","","Mazzeo, Paolo P.; Balestri, Davide; Bacchi, Alessia; Pelagatti, Paolo","Stabilization of liquid active guests via nanoconfinement into a flexible microporous metal–organic framework","CrystEngComm","2021","23","41","7262","7269","10.1039/D1CE00899D","","","0.7","synchrotron","","0.0918","0.0898","","","0.2695","0.2716","","","","","","1.042","","","","has coordinates,has disorder","270417","2021-11-06","19:49:14",""
"7243492","7.3212","0.0014","9.9861","0.0019","19.292","0.003","78.231","0.012","89.49","0.013","77.581","0.013","1347.6","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C39 H15 N6 -","- C39 H15 N6 -","- C78 H30 N12 -","2","1","","Mandal, Arkalekha; Kim, Youngmee; Kim, Sung-Jin; Park, JaeHong","Unravelling the fluorescence and semiconductor properties of a new coronene:TCNB charge transfer cocrystal polymorph","CrystEngComm","2021","23","40","7132","7140","10.1039/D1CE00741F","","","0.71073","MoKα","","0.1582","0.0663","","","0.1465","0.1955","","","","","","0.985","","","","has coordinates","270441","2021-11-06","19:56:27",""
"7243497","7.385","0.003","7.98","0.003","8.186","0.003","65.269","0.008","89.12","0.009","70.156","0.009","407.6","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H7 Co0.5 N3 O4 -","- C6 H7 Co0.5 N3 O4 -","- C12 H14 Co N6 O8 -","2","1","","Ma, Zhi Long; Wang, Meng Chen; Tian, Li; Liu, Zhong Yi","Solvent-controlled metal coordination polymers of Co(ii) with different topological structures and properties","CrystEngComm","2021","23","41","7253","7261","10.1039/D1CE01093J","","","0.71073","MoKα","","0.1023","0.0853","","","0.2255","0.2435","","","","","","1.049","","","","has coordinates","270412","2021-11-06","19:47:44",""
"7243498","7.1998","0.0011","10.346","0.0016","12.6281","0.0019","73.713","0.003","84.815","0.003","79.798","0.003","887.8","0.2","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H14 Co N12 O8 -","- C24 H14 Co N12 O8 -","- C24 H14 Co N12 O8 -","1","0.5","","Ma, Zhi Long; Wang, Meng Chen; Tian, Li; Liu, Zhong Yi","Solvent-controlled metal coordination polymers of Co(ii) with different topological structures and properties","CrystEngComm","2021","23","41","7253","7261","10.1039/D1CE01093J","","","0.71073","MoKα","","0.0464","0.0394","","","0.0964","0.0992","","","","","","1.064","","","","has coordinates,has disorder","270412","2021-11-06","19:47:44",""
"7243499","10.3709","0.0007","10.4034","0.0008","13.8572","0.0009","71.806","0.006","86.047","0.006","88.735","0.006","1416.96","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H22 Co3 N18 O14 -","- C36 H22 Co3 N18 O14 -","- C36 H22 Co3 N18 O14 -","1","0.5","","Ma, Zhi Long; Wang, Meng Chen; Tian, Li; Liu, Zhong Yi","Solvent-controlled metal coordination polymers of Co(ii) with different topological structures and properties","CrystEngComm","2021","23","41","7253","7261","10.1039/D1CE01093J","","x-ray","0.71073","MoKα","","0.0758","0.0523","","","0.142","0.1571","","","","","","1.003","","","","has coordinates,has disorder","270412","2021-11-06","19:47:44",""
"7243509","16.8468","0.0003","20.5523","0.0004","8.3102","0.0002","90","","90.541","0.002","90","","2877.2","0.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H36 Li N4 O8 -","- C28 H36 Li N4 O8 -","- C112 H144 Li4 N16 O32 -","4","0.5","","Yan, Bingjia; Horton, Peter N.; Weston, Simon C.; Russell, Andrea E.; Grossel, Martin C.","Novel TCNQ-stacking motifs in (12-crown-4)-complexes of alkali metal TCNQ salts","CrystEngComm","2021","23","38","6755","6760","10.1039/D1CE01075A","","x-ray","1.54178","CuKα","K-L~3~","0.0554","0.0388","","","0.0929","0.1014","","","","","","1.03","","","","has coordinates,has disorder","270446","2021-11-06","19:58:57",""
"7243510","8.0221","0.0002","13.6455","0.0003","18.3816","0.0005","80.507","0.002","85.505","0.002","85.457","0.002","1973.99","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H40 K N8 O8 -","- C40 H40 K N8 O8 -","- C80 H80 K2 N16 O16 -","2","1","","Yan, Bingjia; Horton, Peter N.; Weston, Simon C.; Russell, Andrea E.; Grossel, Martin C.","Novel TCNQ-stacking motifs in (12-crown-4)-complexes of alkali metal TCNQ salts","CrystEngComm","2021","23","38","6755","6760","10.1039/D1CE01075A","","x-ray","0.71075","MoKα","K-L~3~","0.0597","0.0405","","","0.0976","0.1042","","","","","","1.06","","","","has coordinates","270446","2021-11-06","19:58:59",""
"7243511","8.1103","0.0002","13.6858","0.0004","17.7029","0.0005","78.737","0.002","86.244","0.002","85.714","0.002","1919.11","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H40 N8 Na O8 -","- C40 H40 N8 Na O8 -","- C80 H80 N16 Na2 O16 -","2","1","","Yan, Bingjia; Horton, Peter N.; Weston, Simon C.; Russell, Andrea E.; Grossel, Martin C.","Novel TCNQ-stacking motifs in (12-crown-4)-complexes of alkali metal TCNQ salts","CrystEngComm","2021","23","38","6755","6760","10.1039/D1CE01075A","","x-ray","0.71075","MoKα","K-L~3~","0.0583","0.0375","","","0.0879","0.0946","","","","","","1.037","","","","has coordinates","270446","2021-11-06","19:59:02",""
"7243512","17.191","0.002","20.518","0.002","8.3079","0.0009","90","","90.131","0.006","90","","2930.4","0.5","120","2","120.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H36 N4 Na O8 -","- C28 H36 N4 Na O8 -","- C112 H144 N16 Na4 O32 -","4","0.5","","Yan, Bingjia; Horton, Peter N.; Weston, Simon C.; Russell, Andrea E.; Grossel, Martin C.","Novel TCNQ-stacking motifs in (12-crown-4)-complexes of alkali metal TCNQ salts","CrystEngComm","2021","23","38","6755","6760","10.1039/D1CE01075A","","","0.71075","MoKα","K-L~2,3~","0.1905","0.0839","","","0.1982","0.2922","","","","","","1.016","","","","has coordinates,has disorder","270446","2021-11-06","19:59:04",""
"7243513","8.2066","0.0004","13.7299","0.0006","17.8792","0.0008","72.441","0.004","83.006","0.004","86.623","0.004","1905.87","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H40 Li N8 O8 -","- C40 H40 Li N8 O8 -","- C80 H80 Li2 N16 O16 -","2","1","","Yan, Bingjia; Horton, Peter N.; Weston, Simon C.; Russell, Andrea E.; Grossel, Martin C.","Novel TCNQ-stacking motifs in (12-crown-4)-complexes of alkali metal TCNQ salts","CrystEngComm","2021","23","38","6755","6760","10.1039/D1CE01075A","","x-ray","0.71075","MoKα","K-L~3~","0.1237","0.0529","","","0.0987","0.1151","","","","","","0.995","","","","has coordinates","270446","2021-11-06","19:59:04",""
"7243514","6.869","0.003","9.873","0.004","15.041","0.006","90","","90","","90","","1020","0.7","293","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- Cs H2 Mn O10 V3 -","- Cs H2 Mn O10 V3 -","- Cs4 H8 Mn4 O40 V12 -","4","0.5","","Zou, Yan-Min; Lan, Xiao-Yun; Ma, Wen; Jin, Jian-Ce; Sun, Hai-Yan; Li, Ji-Long; Feng, Mei-Ling; Huang, Xiao-Ying","Towards new cesium containing manganese vanadates via a precursor method","CrystEngComm","2021","23","39","6909","6914","10.1039/D1CE00921D","","","0.71073","MoKα","","0.0219","0.0191","","","0.0501","0.0517","","","","","","1.005","","","","has coordinates","270431","2021-11-06","19:52:04",""
"7243515","13.569","0.0003","13.569","0.0003","8.5361","0.0004","90","","90","","90","","1571.65","0.09","150","2","150","2","","","","","","","","5","P 4/m n c","-P 4 2n","128","","","","- Cs4.34 H5.93 Mn1.83 O26.97 V8 -","- Cs4.3412 H5.9288 Mn1.8288 O26.9644 V8 -","- Cs8.6824 H11.8576 Mn3.6576 O53.9288 V16 -","2","0.125","","Zou, Yan-Min; Lan, Xiao-Yun; Ma, Wen; Jin, Jian-Ce; Sun, Hai-Yan; Li, Ji-Long; Feng, Mei-Ling; Huang, Xiao-Ying","Towards new cesium containing manganese vanadates via a precursor method","CrystEngComm","2021","23","39","6909","6914","10.1039/D1CE00921D","","","0.71073","MoKα","","0.0202","0.0192","","","0.04","0.0406","","","","","","1.172","","","","has coordinates,has disorder","270431","2021-11-06","19:52:07",""
"7243516","10.7972","0.0005","13.496","0.0006","13.6852","0.0007","62.208","0.005","86.974","0.004","67.181","0.004","1605.91","0.17","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H28 Ag2 B2 F8 N8 S4 -","- C20 H28 Ag2 B2 F8 N8 S4 -","- C40 H56 Ag4 B4 F16 N16 S8 -","2","1","","Soleymani-Babadi, Susan; Beheshti, Azizolla; Bahrani-Pour, Maryam; Salahshournia, Behrang; Zafarian, Hamid-Reza; Trzybiński, Damian; Mayer, Peter; Wozniak, Krzysztof","Involvement of various anions in tuning the structure of silver(i) coordination polymers based on a S-donor ligand: syntheses, crystal structure and uptake properties","CrystEngComm","2021","23","42","7502","7516","10.1039/D1CE00172H","","x-ray","0.71073","MoKα","","0.0538","0.0413","","","0.1232","0.1317","","","","","","1.167","","","","has coordinates","270427","2021-11-06","19:51:20",""
"7243517","10.0969","0.0005","18.6753","0.0008","7.9739","0.0003","90","","92.264","0.001","90","","1502.41","0.11","102","2","102","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","AB160","","","- C10 H14 Ag Cl N4 O4 S2 -","- C10 H14 Ag Cl N4 O4 S2 -","- C40 H56 Ag4 Cl4 N16 O16 S8 -","4","1","","Soleymani-Babadi, Susan; Beheshti, Azizolla; Bahrani-Pour, Maryam; Salahshournia, Behrang; Zafarian, Hamid-Reza; Trzybiński, Damian; Mayer, Peter; Wozniak, Krzysztof","Involvement of various anions in tuning the structure of silver(i) coordination polymers based on a S-donor ligand: syntheses, crystal structure and uptake properties","CrystEngComm","2021","23","42","7502","7516","10.1039/D1CE00172H","","","0.71073","MoKα","","0.0361","0.0318","","","0.0723","0.0751","","","","","","1.113","","","","has coordinates","270427","2021-11-06","19:51:20",""
"7243518","12.0332","0.0006","6.5856","0.0004","22.1176","0.0011","90","","102.28","0.005","90","","1712.63","0.16","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Ag2 N6 O6 S2 -","- C10 H14 Ag2 N6 O6 S2 -","- C40 H56 Ag8 N24 O24 S8 -","4","1","","Soleymani-Babadi, Susan; Beheshti, Azizolla; Bahrani-Pour, Maryam; Salahshournia, Behrang; Zafarian, Hamid-Reza; Trzybiński, Damian; Mayer, Peter; Wozniak, Krzysztof","Involvement of various anions in tuning the structure of silver(i) coordination polymers based on a S-donor ligand: syntheses, crystal structure and uptake properties","CrystEngComm","2021","23","42","7502","7516","10.1039/D1CE00172H","","x-ray","1.54184","CuKα","","0.0881","0.0773","","","0.1936","0.2055","","","","","","1.049","","","","has coordinates","270427","2021-11-06","19:51:20",""
"7243519","8.7766","0.0005","10.4029","0.0008","11.8505","0.0009","86.302","0.006","81.916","0.006","86.791","0.006","1067.79","0.13","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H14 Ag2 F6 N4 O6 S4 -","- C12 H14 Ag2 F6 N4 O6 S4 -","- C24 H28 Ag4 F12 N8 O12 S8 -","2","1","","Soleymani-Babadi, Susan; Beheshti, Azizolla; Bahrani-Pour, Maryam; Salahshournia, Behrang; Zafarian, Hamid-Reza; Trzybiński, Damian; Mayer, Peter; Wozniak, Krzysztof","Involvement of various anions in tuning the structure of silver(i) coordination polymers based on a S-donor ligand: syntheses, crystal structure and uptake properties","CrystEngComm","2021","23","42","7502","7516","10.1039/D1CE00172H","","x-ray","1.54184","CuKα","","0.0459","0.0362","","","0.0887","0.0958","","","","","","1.02","","","","has coordinates","270427","2021-11-06","19:51:20",""
"7243520","16.532","0.0015","11.115","0.0007","27.2509","0.0018","90","","99.442","0.008","90","","4939.6","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H42 Ag3 F18 N12 P3 S6 -","- C30 H42 Ag3 F18 N12 P3 S6 -","- C120 H168 Ag12 F72 N48 P12 S24 -","4","1","","Soleymani-Babadi, Susan; Beheshti, Azizolla; Bahrani-Pour, Maryam; Salahshournia, Behrang; Zafarian, Hamid-Reza; Trzybiński, Damian; Mayer, Peter; Wozniak, Krzysztof","Involvement of various anions in tuning the structure of silver(i) coordination polymers based on a S-donor ligand: syntheses, crystal structure and uptake properties","CrystEngComm","2021","23","42","7502","7516","10.1039/D1CE00172H","","x-ray","1.54184","CuKα","","0.1129","0.077","","","0.197","0.2273","","","","","","0.977","","","","has coordinates","270427","2021-11-06","19:51:20",""
"7243521","28.89","0.004","5.5858","0.0008","28.523","0.003","90","","104.4","0.02","90","","4458.3","1.1","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H8 F42 I2 N4 O -","- C32 H8 F42 I2 N4 O -","- C128 H32 F168 I8 N16 O4 -","4","1","","Saccone, Marco; Pace, Andrea; Pibiri, Ivana; Cavallo, Gabriella; Metrangolo, Pierangelo; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo","Dissecting the packing forces in mixed perfluorocarbon/aromatic co-crystals","CrystEngComm","2021","23","41","7324","7333","10.1039/D1CE01001H","","","0.71073","MoKα","","0.1009","0.0493","","","0.0924","0.1095","","","","","","1.037","","","","has coordinates,has disorder","270413","2021-11-06","19:47:53",""
"7243534","8.6398","0.0005","19.4072","0.001","10.7039","0.0006","90","","101.237","0.003","90","","1760.36","0.17","99.87","","99.87","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,3-bis(3-iodophenyl)quinoxaline","","- C20 H12 I2 N2 -","- C20 H12 I2 N2 -","- C80 H48 I8 N8 -","4","1","","Saidykhan, Amie; Fenwick, Nathan W.; Bowen, Richard D.; Telford, Richard; Seaton, Colin C.","Isostructurality of quinoxaline crystal phases: the interplay of weak hydrogen bonds and halogen bonding","CrystEngComm","2021","23","40","7108","7117","10.1039/D1CE00878A","","","0.71073","MoKα","","0.0854","0.0461","","","0.0947","0.1067","","","","","","1.022","","","","has coordinates","270437","2021-11-06","19:55:09",""
"7243535","13.368","0.003","7.5374","0.0012","16.175","0.004","90","","104.64","0.009","90","","1576.9","0.6","296.15","","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,3-bis(3-chlorophenyl)quinoxaline","","- C20 H12 Cl2 N2 -","- C20 H12 Cl2 N2 -","- C80 H48 Cl8 N8 -","4","1","","Saidykhan, Amie; Fenwick, Nathan W.; Bowen, Richard D.; Telford, Richard; Seaton, Colin C.","Isostructurality of quinoxaline crystal phases: the interplay of weak hydrogen bonds and halogen bonding","CrystEngComm","2021","23","40","7108","7117","10.1039/D1CE00878A","","","0.71073","MoKα","","0.0917","0.045","","","0.0847","0.1008","","","","","","1.012","","","","has coordinates","270437","2021-11-06","19:55:10",""
"7243536","12.7621","0.0018","7.6916","0.0009","15.439","0.002","90","","101.23","0.007","90","","1486.5","0.3","99.82","","99.82","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,3-bis(3-fluorophenyl)quinoxaline","","- C20 H12 F2 N2 -","- C20 H12 F2 N2 -","- C80 H48 F8 N8 -","4","1","","Saidykhan, Amie; Fenwick, Nathan W.; Bowen, Richard D.; Telford, Richard; Seaton, Colin C.","Isostructurality of quinoxaline crystal phases: the interplay of weak hydrogen bonds and halogen bonding","CrystEngComm","2021","23","40","7108","7117","10.1039/D1CE00878A","","","0.71073","MoKα","","0.1424","0.0592","","","0.1002","0.1237","","","","","","1.018","","","","has coordinates","270437","2021-11-06","19:55:10",""
"7243537","12.313","0.004","7.563","0.002","17.916","0.005","90","","102.333","0.011","90","","1629.9","0.8","99.78","","99.78","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2,3-di-m-tolylquinoxaline","","- C22 H18 N2 -","- C22 H18 N2 -","- C88 H72 N8 -","4","1","","Saidykhan, Amie; Fenwick, Nathan W.; Bowen, Richard D.; Telford, Richard; Seaton, Colin C.","Isostructurality of quinoxaline crystal phases: the interplay of weak hydrogen bonds and halogen bonding","CrystEngComm","2021","23","40","7108","7117","10.1039/D1CE00878A","","","0.71073","MoKα","","0.1509","0.085","","","0.2017","0.2449","","","","","","1.036","","","","has coordinates","270437","2021-11-06","19:55:10",""
"7243538","6.2638","0.0003","10.7726","0.0004","12.388","0.0004","111.317","0.003","96.567","0.003","105.524","0.004","729.15","0.06","293","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H13 Cd N2 O5 S -","- C15 H13 Cd N2 O5 S -","- C30 H26 Cd2 N4 O10 S2 -","2","1","","Fu, Miao-Miao; Liu, Ce; Dong, Gui-Ying","Two Cd(ii)-based metal–organic frameworks for the highly effective detection of Fe3+ ions and levofloxacin in aqueous media","CrystEngComm","2021","23","42","7397","7405","10.1039/D1CE01128F","","","0.71073","MoKα","","0.0218","0.0208","","","0.0545","0.0549","","","","","","1.128","","","","has coordinates","270425","2021-11-06","19:50:58",""
"7243539","7.5153","0.0006","9.8544","0.0008","10.3104","0.0009","62.368","0.008","76.205","0.007","67.714","0.007","624.13","0.1","293","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H10 Cd N O4 -","- C14 H10 Cd N2 O4 -","- C28 H20 Cd2 N4 O8 -","2","1","","Fu, Miao-Miao; Liu, Ce; Dong, Gui-Ying","Two Cd(ii)-based metal–organic frameworks for the highly effective detection of Fe3+ ions and levofloxacin in aqueous media","CrystEngComm","2021","23","42","7397","7405","10.1039/D1CE01128F","","x-ray","0.71073","MoKα","","0.0382","0.0326","","","0.0776","0.0797","","","","","","1.074","","","","has coordinates","270425","2021-11-06","19:50:59",""
"7243540","9.4083","0.0016","13.686","0.002","18.288","0.003","90","","99.846","0.005","90","","2320.1","0.6","150","2","149.98","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H37 N7 O13 Zn2 -","- C39 H37 N7 O13 Zn2 -","- C78 H74 N14 O26 Zn4 -","2","0.5","","Wu, Qi; Yang, Xiao-Li; Ding, Ze-Yu; Meng, Xiao-Yun; Zhang, Wen-Yan; Yan, Yang-Tian; Yang, Guo-Ping; Wang, Yao-Yu","A multi-functional two-dimensional Zn(ii)-organic framework for selective carbon dioxide adsorption, sensing of nitrobenzene and Cr2O72−","CrystEngComm","2021","23","43","7643","7649","10.1039/D1CE01095F","","","0.71073","MoKα","","0.0975","0.0704","","","0.1988","0.221","","","","","","1.114","","","","has coordinates","271168","2021-12-07","03:05:30",""
"7243541","10.3931","0.0014","16.027","0.002","14.996","0.002","90","","98.243","0.002","90","","2472.1","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 Co N2 O4 -","- C24 H16 Co N2 O4 -","- C96 H64 Co4 N8 O16 -","4","1","","Ndamyabera, Christophe A.; Chatterjee, Nabanita; Oliver, Clive L.; Bourne, Susan A.","Robust pyridylbenzoate metal–organic frameworks as sorbents for volatile solvents and gases","CrystEngComm","2021","23","40","7162","7170","10.1039/D1CE01052B","","","0.71073","MoKα","","0.1085","0.0655","","","0.1677","0.1878","","","","","","1.042","","","","has coordinates,has disorder","270445","2021-11-06","19:57:46",""
"7243542","10.4014","0.0011","16.133","0.0017","14.6878","0.0015","90","","98.482","0.002","90","","2437.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 Co N2 O4 -","- C24 H16 Co N2 O4 -","- C96 H64 Co4 N8 O16 -","4","1","","Ndamyabera, Christophe A.; Chatterjee, Nabanita; Oliver, Clive L.; Bourne, Susan A.","Robust pyridylbenzoate metal–organic frameworks as sorbents for volatile solvents and gases","CrystEngComm","2021","23","40","7162","7170","10.1039/D1CE01052B","","","0.71073","MoKα","","0.0749","0.043","","","0.0959","0.1071","","","","","","1.031","","","","has coordinates,has disorder","270445","2021-11-06","19:57:46",""
"7243543","10.114","0.003","16.501","0.004","14.7","0.004","90","","97.159","0.004","90","","2434.2","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 Co I1.6 N2 O4 -","- C24 H16 Co I1.6 N2 O4 -","- C96 H64 Co4 I6.4 N8 O16 -","4","1","","Ndamyabera, Christophe A.; Chatterjee, Nabanita; Oliver, Clive L.; Bourne, Susan A.","Robust pyridylbenzoate metal–organic frameworks as sorbents for volatile solvents and gases","CrystEngComm","2021","23","40","7162","7170","10.1039/D1CE01052B","","","0.71073","MoKα","","0.0934","0.0687","","","0.1838","0.1956","","","","","","1.11","","","","has coordinates,has disorder","270445","2021-11-06","19:57:46",""
"7243544","10.2197","0.0005","16.1263","0.0008","14.8826","0.0007","90","","98.059","0.002","90","","2428.5","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16.5 N2 O4.25 Zn -","- C24 H16 N2 O4.25 Zn -","- C96 H64 N8 O17 Zn4 -","4","1","","Ndamyabera, Christophe A.; Chatterjee, Nabanita; Oliver, Clive L.; Bourne, Susan A.","Robust pyridylbenzoate metal–organic frameworks as sorbents for volatile solvents and gases","CrystEngComm","2021","23","40","7162","7170","10.1039/D1CE01052B","","","0.71073","MoKα","","0.0715","0.0508","","","0.1329","0.1459","","","","","","1.031","","","","has coordinates,has disorder","270445","2021-11-06","19:57:46",""
"7243546","27.0844","0.0011","27.0844","0.0011","22.219","0.002","90","","90","","120","","14115.4","1.5","297","","297","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C22 H14 Co N2 O4 -","- C22 H14 Co N2 O4 -","- C396 H252 Co18 N36 O72 -","18","1","","Liu, Qing; Zhang, Lin-Yan; Bao, Yu-Mei; Zhang, Na; Zhang, Jian-Yong; Xing, Yuan-Yuan; Deng, Wei; Liu, Zhen-Jiang","Structures and catalytic oxidative coupling reaction of four Co-MOFs modified with R-isophthalic acid (RH, OH and COOH) and trigonal ligands","CrystEngComm","2021","23","43","7590","7601","10.1039/D1CE01221E","","","1.54184","CuKα","","0.0914","0.0651","","","0.1736","0.1891","","","","","","1.035","","","","has coordinates","271167","2021-12-07","03:05:20",""
"7243547","25.1587","0.0007","12.6586","0.0003","16.9319","0.0005","90","","102.447","0.003","90","","5265.6","0.3","297","","297","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H19 Co N3 O5 -","- C29 H18 Co N3 O5 -","- C232 H144 Co8 N24 O40 -","8","1","","Liu, Qing; Zhang, Lin-Yan; Bao, Yu-Mei; Zhang, Na; Zhang, Jian-Yong; Xing, Yuan-Yuan; Deng, Wei; Liu, Zhen-Jiang","Structures and catalytic oxidative coupling reaction of four Co-MOFs modified with R-isophthalic acid (RH, OH and COOH) and trigonal ligands","CrystEngComm","2021","23","43","7590","7601","10.1039/D1CE01221E","","","1.54184","CuKα","","0.0872","0.0605","","","0.1564","0.1741","","","","","","1.037","","","","has coordinates,has disorder","271167","2021-12-07","03:05:21",""
"7243548","10.1206","0.0003","13.677","0.0005","15.8965","0.0005","70.383","0.001","78.221","0.001","83.458","0.001","2026.56","0.12","297","","297","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H40 Co3 N6 O14 -","- C60 H40 Co3 N6 O14 -","- C60 H40 Co3 N6 O14 -","1","0.5","","Liu, Qing; Zhang, Lin-Yan; Bao, Yu-Mei; Zhang, Na; Zhang, Jian-Yong; Xing, Yuan-Yuan; Deng, Wei; Liu, Zhen-Jiang","Structures and catalytic oxidative coupling reaction of four Co-MOFs modified with R-isophthalic acid (RH, OH and COOH) and trigonal ligands","CrystEngComm","2021","23","43","7590","7601","10.1039/D1CE01221E","","","0.71073","MoKα","","0.0293","0.0269","","","0.0853","0.087","","","","","","1.08","","","","has coordinates","271167","2021-12-07","03:05:21",""
"7243549","27.0648","0.0013","27.0648","0.0013","22.965","0.003","90","","90","","120","","14568","2","273.15","","273.15","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C22 H14 Co N2 O5 -","- C22 H13 Co N2 O5 -","- C396 H234 Co18 N36 O90 -","18","1","","Liu, Qing; Zhang, Lin-Yan; Bao, Yu-Mei; Zhang, Na; Zhang, Jian-Yong; Xing, Yuan-Yuan; Deng, Wei; Liu, Zhen-Jiang","Structures and catalytic oxidative coupling reaction of four Co-MOFs modified with R-isophthalic acid (RH, OH and COOH) and trigonal ligands","CrystEngComm","2021","23","43","7590","7601","10.1039/D1CE01221E","","","0.71073","MoKα","","0.0672","0.0559","","","0.1498","0.1585","","","","","","1.04","","","","has coordinates","271167","2021-12-07","03:05:21",""
"7243550","6.4278","0.0003","13.986","0.0006","12.7277","0.0005","90","","91.79","0.004","90","","1143.65","0.09","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H14 Cl4 Cu2 N2 -","- C6 H14 Cl4 Cu2 N2 -","- C24 H56 Cl16 Cu8 N8 -","4","1","","Goreshnik, Evgeny","Influence of the synthetic conditions on a formation of 1-D, 2-D and 3-D copper–chloride coordination polymers","CrystEngComm","2021","23","40","7171","7178","10.1039/D1CE01048D","","x-ray","1.54184","CuKα","","0.0432","0.0362","","","0.0858","0.0896","","","","","","1.094","","","","has coordinates","270443","2021-11-06","19:57:22",""
"7243551","13.9585","0.0006","13.9585","0.0006","6.4715","0.0003","90","","90","","120","","1091.98","0.08","150","0.1","150","0.1","","","","","","","","5","P 63 m c","P 6c -2c","186","","","","- C6 H18 Cl7 Cu7 S3 -","- C6 H18 Cl7 Cu7 S3 -","- C12 H36 Cl14 Cu14 S6 -","2","0.166667","","Goreshnik, Evgeny","Influence of the synthetic conditions on a formation of 1-D, 2-D and 3-D copper–chloride coordination polymers","CrystEngComm","2021","23","40","7171","7178","10.1039/D1CE01048D","","x-ray","1.54184","CuKα","","0.0276","0.0261","","","0.0671","0.0692","","","","","","1.051","","","","has coordinates","270443","2021-11-06","19:57:25",""
"7243552","6.9394","0.0007","8.4624","0.0008","12.2504","0.0011","90","","104.482","0.01","90","","696.53","0.12","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C6 H14 Cl6 Cu2 N2 -","- C6 H14 Cl6 Cu2 N2 -","- C12 H28 Cl12 Cu4 N4 -","2","0.5","","Goreshnik, Evgeny","Influence of the synthetic conditions on a formation of 1-D, 2-D and 3-D copper–chloride coordination polymers","CrystEngComm","2021","23","40","7171","7178","10.1039/D1CE01048D","","x-ray","0.71073","MoKα","","0.033","0.0284","","","0.0685","0.0723","","","","","","1.066","","","","has coordinates","270443","2021-11-06","19:57:25",""
"7243553","17.3198","0.0006","7.5743","0.0003","10.1087","0.0004","90","","90","","90","","1326.11","0.09","150","0.1","150","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H14 Cl5 Cu3 N2 -","- C6 H14 Cl5 Cu3 N2 -","- C24 H56 Cl20 Cu12 N8 -","4","0.5","","Goreshnik, Evgeny","Influence of the synthetic conditions on a formation of 1-D, 2-D and 3-D copper–chloride coordination polymers","CrystEngComm","2021","23","40","7171","7178","10.1039/D1CE01048D","","x-ray","1.54184","CuKα","","0.0483","0.0398","","","0.0985","0.1069","","","","","","1.049","","","","has coordinates","270443","2021-11-06","19:57:25",""
"7243554","12.1233","0.0004","8.2762","0.0003","11.5289","0.0004","90","","99.076","0.001","90","","1142.27","0.07","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H2 K2 N10 O5 -","- C4 H2 K2 N10 O5 -","- C16 H8 K8 N40 O20 -","4","1","","Wang, Yu; Ye, Jin; Yang, Na; Ma, Haixia; Zhang, Yazhou; Guo, Zhaoqi","Strong intermolecular interaction induced methylene-bridged asymmetric heterocyclic explosives","CrystEngComm","2021","23","43","7635","7642","10.1039/D1CE01083B","","","0.71073","MoKα","","0.0566","0.0467","","","0.1109","0.1196","","","","","","1.041","","","","has coordinates","271165","2021-12-07","03:03:46",""
"7243555","12.6801","0.0005","8.2805","0.0003","11.665","0.0005","90","","97.819","0.002","90","","1213.41","0.08","298","2","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H10 N12 O5 -","- C4 H10 N12 O5 -","- C16 H40 N48 O20 -","4","1","","Wang, Yu; Ye, Jin; Yang, Na; Ma, Haixia; Zhang, Yazhou; Guo, Zhaoqi","Strong intermolecular interaction induced methylene-bridged asymmetric heterocyclic explosives","CrystEngComm","2021","23","43","7635","7642","10.1039/D1CE01083B","","","0.71073","MoKα","","0.0705","0.0499","","","0.0975","0.1061","","","","","","1.086","","","","has coordinates","271165","2021-12-07","03:03:57",""
"7243556","9.4839","0.0005","9.0436","0.0005","22.4984","0.0013","90","","90","","90","","1929.66","0.18","298","2","298","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C4 H4 N10 O5 -","- C4 H4 N10 O5 -","- C32 H32 N80 O40 -","8","1","","Wang, Yu; Ye, Jin; Yang, Na; Ma, Haixia; Zhang, Yazhou; Guo, Zhaoqi","Strong intermolecular interaction induced methylene-bridged asymmetric heterocyclic explosives","CrystEngComm","2021","23","43","7635","7642","10.1039/D1CE01083B","","","0.71073","MoKα","","0.1104","0.0472","","","0.0964","0.1313","","","","","","1.142","","","","has coordinates","271165","2021-12-07","03:04:07",""
"7243557","6.4278","0.0003","13.986","0.0006","12.7277","0.0005","90","","91.79","0.004","90","","1143.65","0.09","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H14 Cl4 Cu2 N2 -","- C6 H14 Cl4 Cu2 N2 -","- C24 H56 Cl16 Cu8 N8 -","4","1","","Sun, Tingting; Lin, Shuang-Yan; Xu, Zhikun; Li, L.","In-situ growth of Fe doped NiCo-MOF electrocatalyst from layered double hydroxide effectively enhances electrocatalytic oxygen evolution performance","CrystEngComm","2021","","","","","10.1039/D1CE01220G","","x-ray","1.54184","CuKα","","0.0432","0.0362","","","0.0858","0.0896","","","","","","1.094","","","","has coordinates","269247","2021-09-22","22:41:31",""
"7243558","13.9585","0.0006","13.9585","0.0006","6.4715","0.0003","90","","90","","120","","1091.98","0.08","150","0.1","150","0.1","","","","","","","","5","P 63 m c","P 6c -2c","186","","","","- C6 H18 Cl7 Cu7 S3 -","- C6 H18 Cl7 Cu7 S3 -","- C12 H36 Cl14 Cu14 S6 -","2","0.166667","","Sun, Tingting; Lin, Shuang-Yan; Xu, Zhikun; Li, L.","In-situ growth of Fe doped NiCo-MOF electrocatalyst from layered double hydroxide effectively enhances electrocatalytic oxygen evolution performance","CrystEngComm","2021","","","","","10.1039/D1CE01220G","","x-ray","1.54184","CuKα","","0.0276","0.0261","","","0.0671","0.0692","","","","","","1.051","","","","has coordinates","269247","2021-09-22","22:41:32",""
"7243559","6.9394","0.0007","8.4624","0.0008","12.2504","0.0011","90","","104.482","0.01","90","","696.53","0.12","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C6 H14 Cl6 Cu2 N2 -","- C6 H14 Cl6 Cu2 N2 -","- C12 H28 Cl12 Cu4 N4 -","2","0.5","","Sun, Tingting; Lin, Shuang-Yan; Xu, Zhikun; Li, L.","In-situ growth of Fe doped NiCo-MOF electrocatalyst from layered double hydroxide effectively enhances electrocatalytic oxygen evolution performance","CrystEngComm","2021","","","","","10.1039/D1CE01220G","","x-ray","0.71073","MoKα","","0.033","0.0284","","","0.0685","0.0723","","","","","","1.066","","","","has coordinates","269247","2021-09-22","22:41:32",""
"7243560","17.3198","0.0006","7.5743","0.0003","10.1087","0.0004","90","","90","","90","","1326.11","0.09","150","0.1","150","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H14 Cl5 Cu3 N2 -","- C6 H14 Cl5 Cu3 N2 -","- C24 H56 Cl20 Cu12 N8 -","4","0.5","","Sun, Tingting; Lin, Shuang-Yan; Xu, Zhikun; Li, L.","In-situ growth of Fe doped NiCo-MOF electrocatalyst from layered double hydroxide effectively enhances electrocatalytic oxygen evolution performance","CrystEngComm","2021","","","","","10.1039/D1CE01220G","","x-ray","1.54184","CuKα","","0.0483","0.0398","","","0.0985","0.1069","","","","","","1.049","","","","has coordinates","269247","2021-09-22","22:41:32",""
"7243561","11.1487","0.0004","11.1487","0.0004","20.6785","0.0015","90","","90","","120","","2225.9","0.2","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B12 H12 Na O27 Rb5 -","- B12 H12 Na O27 Rb4.9998 -","- B36 H36 Na3 O81 Rb14.9994 -","3","0.166667","","Qiu, Qi-Ming; Sun, Ke-Ning; Yang, Guo-Yu","Five new rubidium borates with 0D clusters, 1D chains, 2D layers and 3D frameworks","CrystEngComm","2021","23","40","7081","7089","10.1039/D1CE00944C","","","0.71073","MoKα","","0.0266","0.0254","","","0.0678","0.0683","","","","","","1.125","","","","has coordinates","270440","2021-11-06","19:56:21",""
"7243562","9.154","0.0005","6.6585","0.0004","18.6325","0.0011","90","","117.594","0.002","90","","1006.5","0.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- B12 H4 O22 Rb4 -","- B12 H4 O22 Rb4 -","- B24 H8 O44 Rb8 -","2","0.5","","Qiu, Qi-Ming; Sun, Ke-Ning; Yang, Guo-Yu","Five new rubidium borates with 0D clusters, 1D chains, 2D layers and 3D frameworks","CrystEngComm","2021","23","40","7081","7089","10.1039/D1CE00944C","","","0.71073","MoKα","","0.0387","0.0292","","","0.0651","0.0682","","","","","","1.095","","","","has coordinates","270440","2021-11-06","19:56:21",""
"7243563","9.058","0.003","6.62","0.002","18.294","0.006","90","","117.603","0.007","90","","972.1","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- B12 Ba H4 O22 Rb2 -","- B12 Ba H4 O22 Rb2 -","- B24 Ba2 H8 O44 Rb4 -","2","0.5","","Qiu, Qi-Ming; Sun, Ke-Ning; Yang, Guo-Yu","Five new rubidium borates with 0D clusters, 1D chains, 2D layers and 3D frameworks","CrystEngComm","2021","23","40","7081","7089","10.1039/D1CE00944C","","","0.71073","MoKα","","0.0732","0.052","","","0.1353","0.1458","","","","","","1.05","","","","has coordinates","270440","2021-11-06","19:56:21",""
"7243564","8.5942","0.0009","7.6284","0.0008","13.1321","0.0014","90","","90","","90","","860.94","0.16","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- B5 H O9 Rb2 -","- B5 H O9 Rb2 -","- B20 H4 O36 Rb8 -","4","1","","Qiu, Qi-Ming; Sun, Ke-Ning; Yang, Guo-Yu","Five new rubidium borates with 0D clusters, 1D chains, 2D layers and 3D frameworks","CrystEngComm","2021","23","40","7081","7089","10.1039/D1CE00944C","","","0.71073","MoKα","","0.0267","0.0223","","","0.0439","0.0449","","","","","","0.927","","","","has coordinates","270440","2021-11-06","19:56:21",""
"7243565","12.3596","0.0011","12.3596","0.0011","12.3596","0.0011","90","","90","","90","","1888","0.3","296","2","296","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- B12 H3 Na2 O21 Rb -","- B12 Na2 O20.9996 Rb -","- B48 Na8 O83.9984 Rb4 -","4","0.166667","","Qiu, Qi-Ming; Sun, Ke-Ning; Yang, Guo-Yu","Five new rubidium borates with 0D clusters, 1D chains, 2D layers and 3D frameworks","CrystEngComm","2021","23","40","7081","7089","10.1039/D1CE00944C","","","0.71073","MoKα","","0.0431","0.0339","","","0.093","0.1006","","","","","","1.121","","","","has coordinates","270440","2021-11-06","19:56:21",""
"7243566","9.76","0.004","10.85","0.004","15.146","0.005","98.37","0.017","96.251","0.017","103.375","0.017","1526.8","1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","α,α-Bis(p-chlorophenyl)-9,10-dihydro-9,10-ethanoanthracene-11-methanol","","- C37 H32 Cl2 O -","- C37 H32 Cl2 O -","- C74 H64 Cl4 O2 -","2","1","","Barton, Benita; Barnardo, Brandon; Hosten, Eric C.","Selectivity behaviour of two roof-shaped host compounds in the presence of xylene and ethylbenzene guest mixtures","CrystEngComm","2021","23","41","7278","7288","10.1039/D1CE01149A","","","0.71073","MoKα","","0.0839","0.0527","","","0.1425","0.161","","","","","","1.053","","","","has coordinates,has disorder","270414","2021-11-06","19:48:07",""
"7243567","9.83","0.003","10.658","0.003","15.343","0.004","96.197","0.01","96.104","0.011","105.604","0.011","1523.7","0.8","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","α,α-Bis(p-chlorophenyl)-9,10-dihydro-9,10-ethanoanthracene-11-methanol","","- C37 H32 Cl2 O -","- C37 H32 Cl2 O -","- C74 H64 Cl4 O2 -","2","1","","Barton, Benita; Barnardo, Brandon; Hosten, Eric C.","Selectivity behaviour of two roof-shaped host compounds in the presence of xylene and ethylbenzene guest mixtures","CrystEngComm","2021","23","41","7278","7288","10.1039/D1CE01149A","","","0.71073","MoKα","","0.0949","0.0462","","","0.1306","0.1544","","","","","","1.065","","","","has coordinates,has disorder","270414","2021-11-06","19:48:07",""
"7243568","10.3172","0.0019","12.742","0.002","13.082","0.002","67.795","0.009","71.424","0.008","72.877","0.009","1479.3","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","α,α-Bis(p-chlorophenyl)-9,10-dihydro-9,10-ethanoanthracene-11-methanol","","- C37 H32 Cl2 O -","- C37 H32 Cl2 O -","- C74 H64 Cl4 O2 -","2","1","","Barton, Benita; Barnardo, Brandon; Hosten, Eric C.","Selectivity behaviour of two roof-shaped host compounds in the presence of xylene and ethylbenzene guest mixtures","CrystEngComm","2021","23","41","7278","7288","10.1039/D1CE01149A","","","0.71073","MoKα","","0.0701","0.0459","","","0.1167","0.1341","","","","","","1.023","","","","has coordinates","270414","2021-11-06","19:48:07",""
"7243569","9.8151","0.0004","10.9036","0.0005","14.5415","0.0006","94.486","0.002","97.7538","0.0019","104.653","0.0019","1481.57","0.11","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","α,α-Bis(p-chlorophenyl)-9,10-dihydro-9,10-ethanoanthracene-11-methanol","","- C37 H32 Cl2 O -","- C37 H32 Cl2 O -","- C74 H64 Cl4 O2 -","2","1","","Barton, Benita; Barnardo, Brandon; Hosten, Eric C.","Selectivity behaviour of two roof-shaped host compounds in the presence of xylene and ethylbenzene guest mixtures","CrystEngComm","2021","23","41","7278","7288","10.1039/D1CE01149A","","","0.71073","MoKα","","0.0562","0.0429","","","0.1099","0.1195","","","","","","1.03","","","","has coordinates","270414","2021-11-06","19:48:07",""
"7243573","5.0851","0.0017","13.6181","0.0018","18.784","0.002","90","","90","","90","","1300.8","0.5","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 O2 -","- C14 H20 O2 -","- C56 H80 O8 -","4","1","","Gamidi, Rama Krishna; Dandawate, Monica; Choudhury, Rahul; Tothadi, Srinu; Nangia, Ashwini; Reddy, D. Srinivasa","Separation of a diastereomeric diol pair using mechanical properties of crystals","CrystEngComm","2021","","","","","10.1039/D1CE01055G","","","1.54178","CuKα","","0.0361","0.0338","","","0.0794","0.0814","","","","","","1.069","","","","has coordinates","269268","2021-09-23","22:49:14",""
"7243574","12.4314","0.0016","5.0981","0.0007","20.634","0.003","90","","106.37","0.004","90","","1254.7","0.3","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H20 O2 -","- C14 H20 O2 -","- C56 H80 O8 -","4","2","","Gamidi, Rama Krishna; Dandawate, Monica; Choudhury, Rahul; Tothadi, Srinu; Nangia, Ashwini; Reddy, D. Srinivasa","Separation of a diastereomeric diol pair using mechanical properties of crystals","CrystEngComm","2021","","","","","10.1039/D1CE01055G","","","1.54178","CuKα","","0.0343","0.0341","","","0.0913","0.0915","","","","","","1.034","","","","has coordinates","269268","2021-09-23","22:49:26",""
"7243575","11.9737","0.0006","11.9737","0.0006","17.3326","0.0013","90","","90","","90","","2485","0.3","296","2","296","2","","","","","","","","3","I 4/m m m","-I 4 2","139","","Ca10.42(4)Gd0.58Sb9.69(1)","","- Ca10.42 Gd0.58 Sb9.69 -","- Ca10.42 Gd0.58 Sb9.692 -","- Ca41.68 Gd2.32 Sb38.768 -","4","0.125","","Sa, Hayeon; Lee, Junsu; Hong, Yeongjin; Han, Mi-Kyung; Jo, Hongil; Moon, Dohyun; Ok, Kang Min; Kim, Sung-Jin; You, Tae-Soo","Early stage of the single-crystal growth and tipping point of the cationic site preference in Gd-doped Zintl phase thermoelectric materials","CrystEngComm","2021","23","40","7097","7107","10.1039/D1CE00877C","","","0.71073","MoKα","","0.0629","0.0329","","","0.057","0.0655","","","","","","1.08","","","","has coordinates","270439","2021-11-06","19:56:09",""
"7243576","11.9875","0.0017","11.9875","0.0017","17.36","0.003","90","","90","","90","","2494.6","0.7","293","2","293","2","","","","","","","","3","I 4/m m m","-I 4 2","139","","Ca10.63(2)Gd0.37Sb9.74(1)","","- Ca10.63 Gd0.37 Sb9.74 -","- Ca10.63 Gd0.37 Sb9.74 -","- Ca42.52 Gd1.48 Sb38.96 -","4","0.125","","Sa, Hayeon; Lee, Junsu; Hong, Yeongjin; Han, Mi-Kyung; Jo, Hongil; Moon, Dohyun; Ok, Kang Min; Kim, Sung-Jin; You, Tae-Soo","Early stage of the single-crystal growth and tipping point of the cationic site preference in Gd-doped Zintl phase thermoelectric materials","CrystEngComm","2021","23","40","7097","7107","10.1039/D1CE00877C","","","0.61","synchrotron","","0.0327","0.0315","","","0.0908","0.0916","","","","","","1.112","","","","has coordinates","270439","2021-11-06","19:56:10",""
"7243577","11.985","0.0006","11.985","0.0006","17.2845","0.0011","90","","90","","90","","2482.7","0.2","296","2","296","2","","","","","","","","3","I 4/m m m","-I 4 2","139","","Ca10.64(2)Gd0.36Sb9.63(1)","","- Ca10.64 Gd0.36 Sb9.63 -","- Ca10.644 Gd0.356 Sb9.634 -","- Ca42.576 Gd1.424 Sb38.536 -","4","0.125","","Sa, Hayeon; Lee, Junsu; Hong, Yeongjin; Han, Mi-Kyung; Jo, Hongil; Moon, Dohyun; Ok, Kang Min; Kim, Sung-Jin; You, Tae-Soo","Early stage of the single-crystal growth and tipping point of the cationic site preference in Gd-doped Zintl phase thermoelectric materials","CrystEngComm","2021","23","40","7097","7107","10.1039/D1CE00877C","","","0.71073","MoKα","","0.0355","0.0274","","","0.0558","0.0595","","","","","","1.058","","","","has coordinates","270439","2021-11-06","19:56:10",""
"7243578","21.8237","0.0009","6.3425","0.0002","23.2717","0.0009","90","","112.529","0.004","90","","2975.4","0.2","113.15","","113.15","","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C31 H38 N O7.5 S2 -","- C31 H38 N O7.5 S2 -","- C124 H152 N4 O30 S8 -","4","1","","Chen, Yifu; Jing, Bo; Chang, Zewei; Gong, Junbo","Desolvation induced crystal jumping: reversible hydration and dehydration of a spironolactone–saccharin cocrystal with water as the jumping-mate","CrystEngComm","2021","23","39","6838","6842","10.1039/D1CE00830G","","x-ray","0.71073","MoKα","","0.0695","0.0565","","","0.1375","0.1512","","","","","","1.031","","","","has coordinates","270429","2021-11-06","19:51:41",""
"7243579","25.2663","0.0009","6.3994","0.0002","22.1324","0.0008","90","","120.785","0.001","90","","3074.33","0.19","298","1","298","1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C31 H38 N O7.5 S2 -","- C31 H38 N O7.5 S2 -","- C124 H152 N4 O30 S8 -","4","1","","Chen, Yifu; Jing, Bo; Chang, Zewei; Gong, Junbo","Desolvation induced crystal jumping: reversible hydration and dehydration of a spironolactone–saccharin cocrystal with water as the jumping-mate","CrystEngComm","2021","23","39","6838","6842","10.1039/D1CE00830G","","","1.34139","GaKα","","0.0396","0.0394","","","0.1137","0.114","","","","","","1.066","","","","has coordinates","270429","2021-11-06","19:51:41",""
"7243580","25.321","0.006","6.4135","0.0015","22.097","0.005","90","","121.404","0.003","90","","3062.8","1.2","298","1","298","1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C31 H37.25 N O7.12 S2 -","- C31 H37.25 N O7.125 S2 -","- C124 H149 N4 O28.5 S8 -","4","1","","Chen, Yifu; Jing, Bo; Chang, Zewei; Gong, Junbo","Desolvation induced crystal jumping: reversible hydration and dehydration of a spironolactone–saccharin cocrystal with water as the jumping-mate","CrystEngComm","2021","23","39","6838","6842","10.1039/D1CE00830G","","","0.71073","MoKα","","0.0948","0.0525","","","0.1119","0.1288","","","","","","0.991","","","","has coordinates","270429","2021-11-06","19:51:41",""
"7243581","25.208","0.002","6.3747","0.0006","21.98","0.002","90","","121.001","0.001","90","","3027.5","0.5","393","1","393","1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C31 H37 N O7 S2 -","- C31 H37 N O7 S2 -","- C124 H148 N4 O28 S8 -","4","1","","Chen, Yifu; Jing, Bo; Chang, Zewei; Gong, Junbo","Desolvation induced crystal jumping: reversible hydration and dehydration of a spironolactone–saccharin cocrystal with water as the jumping-mate","CrystEngComm","2021","23","39","6838","6842","10.1039/D1CE00830G","","","0.71073","MoKα","","0.1712","0.0716","","","0.199","0.2627","","","","","","0.934","","","","has coordinates","270429","2021-11-06","19:51:41",""
"7243582","25.2658","0.0018","6.3976","0.0005","22.0858","0.0016","90","","121.138","0.001","90","","3055.6","0.4","353","1","353","1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C31 H37.5 N O7.25 S2 -","- C31 H37.5 N O7.25 S2 -","- C124 H150 N4 O29 S8 -","4","1","","Chen, Yifu; Jing, Bo; Chang, Zewei; Gong, Junbo","Desolvation induced crystal jumping: reversible hydration and dehydration of a spironolactone–saccharin cocrystal with water as the jumping-mate","CrystEngComm","2021","23","39","6838","6842","10.1039/D1CE00830G","","","0.71073","MoKα","","0.1013","0.0858","","","0.2633","0.2855","","","","","","1.058","","","","has coordinates","270429","2021-11-06","19:51:41",""
"7243583","17.714","0.01","17.989","0.01","15.344","0.011","90","","105.098","0.01","90","","4721","5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H20 Co N4 O6 -","- C27 H20 Co N4 O6 -","- C216 H160 Co8 N32 O48 -","8","1","","Liu, Ya; Ren, Li; Cui, Guang-Hua","Two Co(ii)-based coordination polymers as multi-responsive luminescent sensors for the detection of levofloxacin, benzaldehyde and Fe3+ ions in water media","CrystEngComm","2021","23","42","7485","7495","10.1039/D1CE01169C","","","0.71073","MoKα","","0.0771","0.0444","","","0.1216","0.1445","","","","","","0.839","","","","has coordinates","270424","2021-11-06","19:50:51",""
"7243584","12.6009","0.0007","30.1566","0.0012","13.5693","0.0008","90","","107.237","0.006","90","","4924.8","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28.5 H21 Co N3 O5 -","- C28.5 H21 Co N3 O5 -","- C228 H168 Co8 N24 O40 -","8","1","","Liu, Ya; Ren, Li; Cui, Guang-Hua","Two Co(ii)-based coordination polymers as multi-responsive luminescent sensors for the detection of levofloxacin, benzaldehyde and Fe3+ ions in water media","CrystEngComm","2021","23","42","7485","7495","10.1039/D1CE01169C","","","0.71073","MoKα","","0.0824","0.0519","","","0.1159","0.1274","","","","","","1.037","","","","has coordinates","270424","2021-11-06","19:50:52",""
"7243585","19.937","0.005","19.937","0.005","6.4202","0.0016","90","","90","","90","","2551.9","1.1","100","2","100","2","","","","","","","","4","P 4/n n c :2","-P 4a 2bc","126","(bis)phthalocyanine neodymium","(phthalocyaninato)-(phthalocyaninato-radical)neodymium(III)","","- C64 H32 N16 Nd -","- C64 H32 N16 Nd -","- C128 H64 N32 Nd2 -","2","0.125","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0785","0.0647","","","0.3028","0.3147","","","","","","1.399","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243586","28.086","0.003","14.16","0.002","13.1416","0.0014","90","","115.708","0.01","90","","4709.1","1.1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","bis(phthalocyaninato)-terbium","(phthalocyaninato)-(phthalocyaninato-radical)-terbium(III)","","- C64 H32 N16 Tb -","- C64 H32 N16 Tb -","- C256 H128 N64 Tb4 -","4","0.5","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0617","0.0462","","","0.093","0.0996","","","","","","1.038","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243587","28.1354","0.0006","22.945","0.0006","7.8933","0.0002","90","","90","","90","","5095.7","0.2","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","bis(phthalocyaninato)-samarium","(phthalocyaninato)-(phthalocyaninato-radical)-samarium(III)","","- C65 H34 Cl2 N16 Sm -","- C65 H34 Cl2 N16 Sm -","- C260 H136 Cl8 N64 Sm4 -","4","0.5","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0446","0.031","","","0.081","0.0944","","","","","","0.876","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243588","19.9227","0.0006","19.9227","0.0006","6.3925","0.0004","90","","90","","90","","2537.27","0.19","100","2","100","2","","","","","","","","4","P 4/n n c :2","-P 4a 2bc","126","bis(phthalocyaninato)-lanthanum","(phthalocyaninato)-(phthalocyaninato-radical)-lathanum(III)","","- C64 H32 La N16 -","- C64 H32 La N16 -","- C128 H64 La2 N32 -","2","0.125","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0948","0.0803","","","0.2442","0.2526","","","","","","1.932","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243589","8.8412","0.0014","10.5892","0.0015","50.762","0.008","90","","90","","90","","4752.4","1.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","bis(phthalocyaninato)-gadolinium","(phthalocyaninato)-(phthalocyaninato-radical)-gadolinium(III)","","- C64 H32 Gd N16 -","- C64 H32 Gd N16 -","- C256 H128 Gd4 N64 -","4","1","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0585","0.0539","","","0.1287","0.1305","","","","","","1.197","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243590","28.0851","0.0016","22.9636","0.0013","7.8897","0.0004","90","","90","","90","","5088.3","0.5","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","(bis)phthalocyanine neodymium","(phthalocyaninato)-(phthalocyaninato-radical)neodymium(III)","","- C65 H34 Cl2 N16 Nd -","- C65 H34 Cl2 N16 Nd -","- C260 H136 Cl8 N64 Nd4 -","4","0.5","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0396","0.0266","","","0.0588","0.0646","","","","","","1.043","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243591","28.356","0.003","22.882","0.003","8.046","0.001","90","","90","","90","","5220.6","1.1","373","2","373","2","","","","","","","","5","P n m a","-P 2ac 2n","62","bis(phthalocyaninato)-gadolinium","(phthalocyaninato)-(phthalocyaninato-radical)-gadolinium(III)","","- C65 H34 Cl2 Gd N16 -","- C65 H34 Cl2 Gd N16 -","- C260 H136 Cl8 Gd4 N64 -","4","0.5","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0849","0.0445","","","0.0857","0.0987","","","","","","1.02","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243592","8.8171","0.0011","10.5671","0.0012","50.648","0.006","90","","90","","90","","4718.9","1","102","2","102","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","bis(phthalocyaninato)-dysprosium","(phthalocyaninato)-(phthalocyaninato-radical)-dysprosium(III)","","- C64 H32 Dy N16 -","- C64 H32 Dy N16 -","- C256 H128 Dy4 N64 -","4","1","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0535","0.0457","","","0.0812","0.0833","","","","","","1.116","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243593","28.01","0.003","22.923","0.003","7.8994","0.001","90","","90","","90","","5072","1.1","273","2","273","2","","","","","","","","5","P n m a","-P 2ac 2n","62","bis(phthalocyaninato)-dysprosium","(phthalocyaninato)-(phthalocyaninato-radical)-dysprosium(II)","","- C65 H34 Cl2 Dy N16 -","- C65 H34 Cl2 Dy N16 -","- C260 H136 Cl8 Dy4 N64 -","4","0.5","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0729","0.0421","","","0.0801","0.089","","","","","","1.036","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243594","27.955","0.006","22.921","0.005","7.8802","0.0017","90","","90","","90","","5049.3","1.9","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","(bis)phthalocyaninato-ytterbium","(phthalocyaninato)-(phthalocyaninato-radical)-ytterbium(III)","","- C65 H34 Cl2 N16 Yb -","- C65 H34 Cl2 N16 Yb -","- C260 H136 Cl8 N64 Yb4 -","4","0.5","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0949","0.0498","","","0.1081","0.1282","","","","","","0.972","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243595","8.8136","0.0006","10.5756","0.0007","50.713","0.003","90","","90","","90","","4726.9","0.5","101","2","101","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","bis(phthalocyaninato) Tb(III)","(phthalocyaninato)-(phthalocyaninato-radical) terbium (III)","","- C64 H32 N16 Tb -","- C64 H32 N16 Tb -","- C256 H128 N64 Tb4 -","4","1","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0567","0.0501","","","0.0815","0.0832","","","","","","1.184","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243596","8.7901","0.0006","10.5965","0.0012","50.568","0.004","90","","90","","90","","4710.1","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","bis(phthalocyaninato)-ytterbium","(phthalocyaninato)-(phthalocyaninato-radical)-ytterbium(III)","","- C64 H32 N16 Yb -","- C64 H32 N16 Yb -","- C256 H128 N64 Yb4 -","4","1","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.045","0.041","","","0.117","0.1199","","","","","","0.873","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243597","19.548","0.004","19.548","0.004","6.477","0.002","90","0.03","90","0.03","90","0.03","2475","1","293","2","293","2","","","","","","","","4","P 4/n n c :2","-P 4a 2bc","126","bis(phthalocyaninato) dysprosium","(phthalocyaninato)-(phthalocyaninato-radical)-dysprosium(III)","","- C64 H32 Dy N16 -","- C64 H32 Dy N16 -","- C128 H64 Dy2 N32 -","2","0.125","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0702","0.07","","","0.1907","0.1909","","","","","","1.509","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243598","28.0409","0.0009","22.944","0.0007","7.8783","0.0002","90","","90","","90","","5068.7","0.3","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","bis(phthalocyaninato)-lanthanum","(phthalocyaninato)-(phthalocyaninato-radical)-lanthanum(III)","","- C65 H34 Cl2 La N16 -","- C65 H34 Cl2 La N16 -","- C260 H136 Cl8 La4 N64 -","4","0.5","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0382","0.0301","","","0.0763","0.0797","","","","","","1.073","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243599","28.103","0.003","14.1751","0.0013","13.1851","0.0012","90","","115.596","0.002","90","","4737","0.8","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","(bis)phthalocyanine neodymium","(phthalocyaninato)-phthalocyaninato-radical)neodymium(III)","","- C64 H32 N16 Nd -","- C64 H32 N16 Nd -","- C256 H128 N64 Nd4 -","4","0.5","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","","0.71073","MoKα","","0.0522","0.0355","","","0.0671","0.0725","","","","","","1.014","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243600","28.1112","0.0014","14.2031","0.0012","13.1654","0.0005","90","","115.574","0.002","90","","4741.5","0.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","bis(phthalocyaninato)-samarium","(phthalocyaninato)-(phthalocyaninato-radical)-samarium(III)","","- C64 H32 N16 Sm -","- C64 H32 N16 Sm -","- C256 H128 N64 Sm4 -","4","0.5","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0181","0.0173","","","0.0471","0.0476","","","","","","1.098","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243601","28.016","0.003","22.942","0.003","7.8678","0.0007","90","","90","","90","","5057","1","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","bis(phthalocyaninato)-erbium","(phthalocyaninato)-(phthalocyaninato-radical)-erbium(III)","","- C65 H34 Cl2 Er N16 -","- C65 H34 Cl2 Er N16 -","- C260 H136 Cl8 Er4 N64 -","4","0.5","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0657","0.046","","","0.0856","0.0928","","","","","","1.028","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243602","28.106","0.003","14.1593","0.001","13.1975","0.0008","90","","115.551","0.004","90","","4738.4","0.7","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","bis(phthalocyaninato)-Pr","(phthalocyaninato)-(phthalocyaninato-radical)-praseodymium(III)","","- C64 H32 N16 Pr -","- C64 H32 N16 Pr -","- C256 H128 N64 Pr4 -","4","0.5","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0323","0.0268","","","0.0684","0.0721","","","","","","0.829","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243603","8.8201","0.0002","10.6092","0.0003","50.7567","0.0011","90","","90","","90","","4749.5","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","bis(phthalocyaninato)-samarium","(phthalocyaninato)-(phthalocyaninato-radical)-samarium (III)","","- C64 H32 N16 Sm -","- C64 H32 N16 Sm -","- C256 H128 N64 Sm4 -","4","1","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0467","0.038","","","0.0599","0.0619","","","","","","1.087","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243604","28.125","0.003","14.1663","0.0014","13.1416","0.0014","90","","115.688","0.004","90","","4718.5","0.9","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","bis(phthalocyaninato)-gadolinium","(phthalocyaninato)-(phthalocyaninato-radical)-gadolinium(III)","","- C64 H32 Gd N16 -","- C64 H32 Gd N16 -","- C256 H128 Gd4 N64 -","4","0.5","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0622","0.0512","","","0.0955","0.0984","","","","","","1.2","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243605","28.0516","0.0007","22.9642","0.0008","7.8827","0.0002","90","","90","","90","","5077.9","0.3","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","bis(phthalocyaninato)-terbium","(phthalocyaninato)-(phthalocyaninato-radical)-terbium(III)","","- C65 H34 Cl2 N16 Tb -","- C65 H34 Cl2 N16 Tb -","- C260 H136 Cl8 N64 Tb4 -","4","0.5","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.029","0.0239","","","0.0596","0.062","","","","","","1.046","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243606","8.852","0.002","10.604","0.002","50.844","0.012","90","","90","","90","","4772.6","1.8","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(bis)phthalocyanine neodymium","[phthalocyaninato]-[phthalocyaninato-radical]neodymium(III)","","- C64 H32 N16 Nd -","- C64 H32 N16 Nd -","- C256 H128 N64 Nd4 -","4","1","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0345","0.0307","","","0.072","0.0739","","","","","","0.859","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243607","28.1128","0.0016","22.9663","0.0014","7.8883","0.0005","90","","90","","90","","5093.1","0.5","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","bis(phthalocyaninato)-praseodymium","(phthalocyaninato)-(phthalocyaninato-radical)-praseodymium(III)","","- C65 H34 Cl2 N16 Pr -","- C65 H34 Cl2 N16 Pr -","- C260 H136 Cl8 N64 Pr4 -","4","0.5","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0385","0.0294","","","0.0708","0.0752","","","","","","1.067","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243608","3.8492","0.0008","25.618","0.005","15.127","0.003","90","","96.92","0.03","90","","1480.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 Cl2 N3 O4 -","- C13 H11 Cl2 N3 O4 -","- C52 H44 Cl8 N12 O16 -","4","1","","Fang, Lan; Xiao, Yuntian; Zhang, Chengtian; Gao, Zhenguo; Wu, Songgu; Gong, Junbo; Rohani, Sohrab","Intermolecular interactions and solubility behavior of multicomponent crystal forms of 2,4-D: design, structure analysis, and solid-state characterization","CrystEngComm","2021","23","43","7615","7627","10.1039/D1CE01080H","","","0.71073","MoKα","","0.1424","0.0759","","","0.1509","0.1808","","","","","","0.951","","","","has coordinates","271163","2021-12-07","02:56:51",""
"7243609","11.1527","0.0007","5.1499","0.0003","24.1986","0.0012","90","","94.245","0.005","90","","1386.04","0.14","113.15","","113.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 Cl2 N2 O3 -","- C13 H12 Cl2 N2 O3 -","- C52 H48 Cl8 N8 O12 -","4","1","","Fang, Lan; Xiao, Yuntian; Zhang, Chengtian; Gao, Zhenguo; Wu, Songgu; Gong, Junbo; Rohani, Sohrab","Intermolecular interactions and solubility behavior of multicomponent crystal forms of 2,4-D: design, structure analysis, and solid-state characterization","CrystEngComm","2021","23","43","7615","7627","10.1039/D1CE01080H","","x-ray","0.71073","MoKα","","0.1008","0.0616","","","0.1277","0.1488","","","","","","1.039","","","","has coordinates","271163","2021-12-07","02:58:42",""
"7243610","4.9189","0.0002","12.7069","0.0004","19.7761","0.0007","90","","90.777","0.003","90","","1235.97","0.08","113.15","","113.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 Cl2 N2 O3 -","- C11 H10 Cl2 N2 O3 -","- C44 H40 Cl8 N8 O12 -","4","1","","Fang, Lan; Xiao, Yuntian; Zhang, Chengtian; Gao, Zhenguo; Wu, Songgu; Gong, Junbo; Rohani, Sohrab","Intermolecular interactions and solubility behavior of multicomponent crystal forms of 2,4-D: design, structure analysis, and solid-state characterization","CrystEngComm","2021","23","43","7615","7627","10.1039/D1CE01080H","","x-ray","0.71073","MoKα","","0.0624","0.0444","","","0.0924","0.1015","","","","","","1.051","","","","has coordinates","271163","2021-12-07","02:59:09",""
"7243611","10.5164","0.0003","5.3915","0.0002","24.4188","0.0008","90","","90.966","0.003","90","","1384.33","0.08","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 Cl2 N2 O3 -","- C13 H12 Cl2 N2 O3 -","- C52 H48 Cl8 N8 O12 -","4","1","","Fang, Lan; Xiao, Yuntian; Zhang, Chengtian; Gao, Zhenguo; Wu, Songgu; Gong, Junbo; Rohani, Sohrab","Intermolecular interactions and solubility behavior of multicomponent crystal forms of 2,4-D: design, structure analysis, and solid-state characterization","CrystEngComm","2021","23","43","7615","7627","10.1039/D1CE01080H","","","0.71073","MoKα","","0.0619","0.0467","","","0.1066","0.1172","","","","","","1.036","","","","has coordinates","271163","2021-12-07","02:59:42",""
"7243612","3.9581","0.0002","10.518","0.0006","17.6996","0.001","79.048","0.005","84.886","0.004","85.843","0.004","719.39","0.07","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 Cl2 N2 O4 -","- C14 H12 Cl2 N2 O4 -","- C28 H24 Cl4 N4 O8 -","2","1","","Fang, Lan; Xiao, Yuntian; Zhang, Chengtian; Gao, Zhenguo; Wu, Songgu; Gong, Junbo; Rohani, Sohrab","Intermolecular interactions and solubility behavior of multicomponent crystal forms of 2,4-D: design, structure analysis, and solid-state characterization","CrystEngComm","2021","23","43","7615","7627","10.1039/D1CE01080H","","","0.71073","MoKα","","0.052","0.0412","","","0.0987","0.1073","","","","","","1.047","","","","has coordinates","271163","2021-12-07","03:00:18",""
"7243615","18.3597","0.0008","30.8839","0.0013","11.3262","0.0004","90","","90","","90","","6422.2","0.5","193","","193","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Zn-MOF","","- C16 H21 N2 O6 Zn -","- C16 H21 N2 O6 Zn -","- C128 H168 N16 O48 Zn8 -","8","1","","Chen, Mao-Long; Qi, Zhen-Li; Jin, Wan-Ting; Xu, Zhou; Cheng, Yun-Hui; Zhou, Zhao-Hui","Cation exchange in a fluorescent zinc-based metal–organic framework for cadmium ion detection","CrystEngComm","2021","23","42","7442","7449","10.1039/D1CE00931A","","x-ray","1.54184","CuKα","","0.0772","0.07","","","0.1844","0.1901","","","","","","1.079","","","","has coordinates","270418","2021-11-06","19:49:37",""
"7243616","6.6218","0.0004","9.3168","0.0008","9.4721","0.0007","114.317","0.007","95.498","0.006","105.293","0.007","499.59","0.08","290.77","0.11","290.77","0.11","","","","","","","","6","P -1","-P 1","2","","","","- C7 H6 In N O8 P -","- C7 H6 In N O8 P -","- C14 H12 In2 N2 O16 P2 -","2","1","","Huang, Lijuan; Xu, Haiping; Zhao, Yan; Huang, Ling; Bi, Jian; Zeng, Hongmei; Zou, Guohong; Gao, Daojiang; Lin, Zhien","Isonicotinic acid-templated metal phosphate–oxalates: solvent-free synthesis, luminescence, and proton conduction","CrystEngComm","2021","23","39","6855","6858","10.1039/D1CE00873K","","x-ray","1.54184","CuKα","","0.0501","0.0489","","","0.126","0.1273","","","","","","1.088","","","","has coordinates","270432","2021-11-06","19:52:15",""
"7243617","7.8667","0.0004","16.1141","0.0006","21.1102","0.0014","90","","90.836","0.005","90","","2675.7","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H9 Ga N O11 P -","- C8 H9 Ga N O11 P -","- C64 H72 Ga8 N8 O88 P8 -","8","1","","Huang, Lijuan; Xu, Haiping; Zhao, Yan; Huang, Ling; Bi, Jian; Zeng, Hongmei; Zou, Guohong; Gao, Daojiang; Lin, Zhien","Isonicotinic acid-templated metal phosphate–oxalates: solvent-free synthesis, luminescence, and proton conduction","CrystEngComm","2021","23","39","6855","6858","10.1039/D1CE00873K","","x-ray","0.71073","MoKα","","0.0484","0.0393","","","0.0916","0.0965","","","","","","1.07","","","","has coordinates","270432","2021-11-06","19:52:15",""
"7243622","39.9546","0.0006","39.9546","0.0006","39.9546","0.0006","90","","90","","90","","63782.3","1.7","100","2","100","2","","","","","","","","6","I -4 3 d","I -4bd 2c 3","220","","","","- C172 H352 N24 O117 Pt4 S4 -","- C104 H80 N24 O29.3333 Pt4 S3.33333 -","- C1248 H960 N288 O352 Pt48 S40 -","12","0.25","","Aoki, Kentaro; Otsubo, Kazuya; Kitagawa, Hiroshi","A square-shaped complex with an electron-acceptor ligand: unique cubic crystal symmetry and similarity to the inorganic mineral katoite","CrystEngComm","2021","23","43","7691","7697","10.1039/D1CE00994J","","","0.71075","MoKα","","0.2014","0.0664","","","0.1466","0.2012","","","","","","0.983","","","","has coordinates","271166","2021-12-07","03:04:43",""
"7243623","27.0123","0.0016","21.1322","0.0011","11.5913","0.0006","90","","90","","90","","6616.7","0.6","298","2","298","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C28 H30 Eu N2 O19.5 -","- C28 H15 Eu N2 O12 -","- C224 H120 Eu8 N16 O96 -","8","1","","Wang, Cui-Li; Zheng, Ya-Xin; Chen, Le; Zhu, Cai-Yong; Gao, Wei; Li, Peng; Jie-Ping, Liu; Zhang, Xiu-Mei","The construction of a multifunctional luminescent Eu-MOF for the sensing of Fe3+, Cr2O72− and amines in aqueous solution","CrystEngComm","2021","23","43","7581","7589","10.1039/D1CE01192H","","","0.71073","MoKα","","0.0401","0.0266","","","0.0571","0.0628","","","","","","1.041","","","","has coordinates","271164","2021-12-07","03:02:46",""
"7243628","11.287","0.002","11.583","0.002","15.893","0.003","74.88","0.03","86.45","0.03","66.47","0.03","1837","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 N O10.5 -","- C18 H22 N O10.5 -","- C72 H88 N4 O42 -","4","2","","Le , Anh T.; Tran, Thanh Van Thi; Le, Duan T.; Gomila, Rosa Maria; Frontera, Antonio; Zubkov, Fedor Ivanovich","Synthesis, X-ray characterization and theoretical study of all-cis 1,4:2,3:5,8:6,7-tetraepoxynaphthalenes: on the importance of through-space α-effect","CrystEngComm","2021","","","","","10.1039/D1CE01040A","","","0.9699","synchrotron","","0.1186","0.0618","","","0.142","0.1723","","","","","","0.951","","","","has coordinates","269375","2021-09-29","22:45:04",""
"7243629","9.4396","0.0019","11.62","0.002","13.907","0.003","90","","91.59","0.03","90","","1524.8","0.5","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 O9 -","- C16 H16 O9 -","- C64 H64 O36 -","4","1","","Le , Anh T.; Tran, Thanh Van Thi; Le, Duan T.; Gomila, Rosa Maria; Frontera, Antonio; Zubkov, Fedor Ivanovich","Synthesis, X-ray characterization and theoretical study of all-cis 1,4:2,3:5,8:6,7-tetraepoxynaphthalenes: on the importance of through-space α-effect","CrystEngComm","2021","","","","","10.1039/D1CE01040A","","","0.9699","synchrotron","","0.0621","0.0544","","","0.1419","0.1469","","","","","","1.036","","","","has coordinates","269375","2021-09-29","22:45:05",""
"7243630","8.4936","0.0017","16.17","0.003","11.847","0.002","90","","109.38","0.03","90","","1534.9","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 O10 S -","- C16 H16 O10 S -","- C64 H64 O40 S4 -","4","1","","Le , Anh T.; Tran, Thanh Van Thi; Le, Duan T.; Gomila, Rosa Maria; Frontera, Antonio; Zubkov, Fedor Ivanovich","Synthesis, X-ray characterization and theoretical study of all-cis 1,4:2,3:5,8:6,7-tetraepoxynaphthalenes: on the importance of through-space α-effect","CrystEngComm","2021","","","","","10.1039/D1CE01040A","","","0.9699","synchrotron","","0.0931","0.067","","","0.159","0.1783","","","","","","1.005","","","","has coordinates","269375","2021-09-29","22:45:05",""
"7243631","10.6218","0.0008","11.3383","0.0008","12.3181","0.0009","68.588","0.002","88.724","0.002","85.755","0.002","1377.31","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H50 Br4 Cl6 N4 O4 -","- C55 H50 Br4 Cl6 N4 O4 -","- C55 H50 Br4 Cl6 N4 O4 -","1","0.5","","Tominaga, Masahide; Shinkawa, Shoyo; Hyodo, Tadashi; Yamaguchi, Kentaro","Dynamic behavior of macrocycle-based organic frameworks in single-crystal to single-crystal guest exchanges","CrystEngComm","2021","23","40","7039","7043","10.1039/D1CE01003D","","","1.54178","CuKα","","0.0522","0.0517","","","0.2067","0.2071","","","","","","1.075","","","","has coordinates,has disorder","270444","2021-11-06","19:57:36",""
"7243632","7.803","0.002","11.554","0.003","15.741","0.004","72.604","0.005","89.478","0.005","83.484","0.005","1345","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H64 Br4 N4 O6 -","- C60 H64 Br4 N4 O6 -","- C60 H64 Br4 N4 O6 -","1","0.5","","Tominaga, Masahide; Shinkawa, Shoyo; Hyodo, Tadashi; Yamaguchi, Kentaro","Dynamic behavior of macrocycle-based organic frameworks in single-crystal to single-crystal guest exchanges","CrystEngComm","2021","23","40","7039","7043","10.1039/D1CE01003D","","","1.54178","CuKα","","0.0402","0.0334","","","0.1002","0.1356","","","","","","1.049","","","","has coordinates,has disorder","270444","2021-11-06","19:57:37",""
"7243633","11.3807","0.0008","11.6442","0.0008","13.1925","0.0009","83.978","0.003","66.041","0.003","86.807","0.003","1588.64","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H76 Br4 N4 O12 -","- C68 H76 Br4 N4 O12 -","- C68 H76 Br4 N4 O12 -","1","0.5","","Tominaga, Masahide; Shinkawa, Shoyo; Hyodo, Tadashi; Yamaguchi, Kentaro","Dynamic behavior of macrocycle-based organic frameworks in single-crystal to single-crystal guest exchanges","CrystEngComm","2021","23","40","7039","7043","10.1039/D1CE01003D","","","1.54178","CuKα","","0.0458","0.0378","","","0.0939","0.0976","","","","","","1.036","","","","has coordinates,has disorder","270444","2021-11-06","19:57:37",""
"7243634","6.588","0.0003","14.1875","0.0007","15.2526","0.0007","64.022","0.002","82.732","0.002","85.997","0.002","1271.11","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H51 Br4 Cl N4 O4 -","- C55 H51 Br4 Cl N4 O4 -","- C55 H51 Br4 Cl N4 O4 -","1","0.5","","Tominaga, Masahide; Shinkawa, Shoyo; Hyodo, Tadashi; Yamaguchi, Kentaro","Dynamic behavior of macrocycle-based organic frameworks in single-crystal to single-crystal guest exchanges","CrystEngComm","2021","23","40","7039","7043","10.1039/D1CE01003D","","","1.54178","CuKα","","0.0431","0.041","","","0.1215","0.1233","","","","","","1.068","","","","has coordinates,has disorder","270444","2021-11-06","19:57:37",""
"7243635","6.5928","0.0011","14.239","0.002","15.231","0.003","63.995","0.005","82.597","0.005","85.988","0.005","1274.2","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H54 Br4 N4 O5 -","- C56 H54 Br4 N4 O5 -","- C56 H54 Br4 N4 O5 -","1","0.5","","Tominaga, Masahide; Shinkawa, Shoyo; Hyodo, Tadashi; Yamaguchi, Kentaro","Dynamic behavior of macrocycle-based organic frameworks in single-crystal to single-crystal guest exchanges","CrystEngComm","2021","23","40","7039","7043","10.1039/D1CE01003D","","","1.54178","CuKα","","0.0538","0.0508","","","0.1525","0.1582","","","","","","1.082","","","","has coordinates,has disorder","270444","2021-11-06","19:57:37",""
"7243636","32.1757","0.0018","32.1757","0.0018","13.5257","0.0011","90","","90","","120","","12126.8","1.4","293","2","293","2","","","","","","","","7","P 63/m","-P 6c","176","","","","- C360 H312 Cu15 I19 N24 O48 S24 -","- C360 H312 Cu15 I19 N24 O48 S24 -","- C360 H312 Cu15 I19 N24 O48 S24 -","1","0.0833333","","Hu, Chu-Xing; Xuan, Ya-Hui; Jiang, Zi-Hao; Lu, Tao; Yang, Jie; Yuan, Hui; Tian, You-Ping; Sun, Zheng-Guang; Jiang, Xuan-Feng","Self-assembly of cuprous iodide cluster-based calix[4]resorcinarenes and photocatalytic properties","CrystEngComm","2021","23","40","7179","7185","10.1039/D1CE01069G","","","1.54184","CuKα","","0.2253","0.1534","","","0.323","0.3443","","","","","","1.032","","","","has coordinates,has disorder","270442","2021-11-06","19:56:52",""
"7243637","21.5046","0.0017","16.0447","0.0006","23.0476","0.0014","90","","115.557","0.009","90","","7174.2","0.9","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C124 H110 Cu8 I8 N10 O16 S8 -","- C124 H110 Cu8 I8 N10 O16 S8 -","- C248 H220 Cu16 I16 N20 O32 S16 -","2","0.5","","Hu, Chu-Xing; Xuan, Ya-Hui; Jiang, Zi-Hao; Lu, Tao; Yang, Jie; Yuan, Hui; Tian, You-Ping; Sun, Zheng-Guang; Jiang, Xuan-Feng","Self-assembly of cuprous iodide cluster-based calix[4]resorcinarenes and photocatalytic properties","CrystEngComm","2021","23","40","7179","7185","10.1039/D1CE01069G","","x-ray","0.71073","MoKα","","0.1169","0.0605","","","0.0987","0.1265","","","","","","0.9434","","","","has coordinates","270442","2021-11-06","19:56:53",""
"7243638","18.1803","0.0007","9.4604","0.0003","9.0591","0.0003","90","","99.762","0.004","90","","1535.54","0.09","150","2","150.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 Cu Fe N2 S2 -","- C15 H15 Cu Fe N2 S2 -","- C60 H60 Cu4 Fe4 N8 S8 -","4","1","","Singh, Ayushi; Trivedi, Manoj; Kociok-Köhn, Gabriele; Singh, Ashish Kumar; Muddassir, Mohd.; Kumar, Abhinav","Ferrocenyl thiazolidine-2-thione ornamented 1D coordination polymers derived from coinage metal halides and pseudohalides","CrystEngComm","2021","23","44","7794","7804","10.1039/D1CE01147B","","x-ray","0.71073","MoKα","","0.0522","0.0376","","","0.0718","0.0775","","","","","","1.046","","","","has coordinates","271158","2021-12-07","02:53:16",""
"7243639","18.0463","0.0004","9.80453","0.00019","9.3793","0.0002","90","","100.689","0.002","90","","1630.74","0.06","150","2","150.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 Ag Fe N2 S2 -","- C15 H15 Ag Fe N2 S2 -","- C60 H60 Ag4 Fe4 N8 S8 -","4","1","","Singh, Ayushi; Trivedi, Manoj; Kociok-Köhn, Gabriele; Singh, Ashish Kumar; Muddassir, Mohd.; Kumar, Abhinav","Ferrocenyl thiazolidine-2-thione ornamented 1D coordination polymers derived from coinage metal halides and pseudohalides","CrystEngComm","2021","23","44","7794","7804","10.1039/D1CE01147B","","x-ray","0.71073","MoKα","","0.0341","0.0287","","","0.0568","0.0586","","","","","","1.147","","","","has coordinates","271158","2021-12-07","02:53:19",""
"7243640","5.9876","0.0003","17.204","0.0008","17.2608","0.0008","89.062","0.008","84.677","0.008","87.989","0.007","1769.13","0.15","150","2","149.99","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C29 H31 Cl3 Cu2 Fe2 I2 N2 S4 -","- C29 H31 Cl3 Cu2 Fe2 I2 N2 S4 -","- C58 H62 Cl6 Cu4 Fe4 I4 N4 S8 -","2","1","","Singh, Ayushi; Trivedi, Manoj; Kociok-Köhn, Gabriele; Singh, Ashish Kumar; Muddassir, Mohd.; Kumar, Abhinav","Ferrocenyl thiazolidine-2-thione ornamented 1D coordination polymers derived from coinage metal halides and pseudohalides","CrystEngComm","2021","23","44","7794","7804","10.1039/D1CE01147B","","x-ray","0.71073","MoKα","","0.0636","0.0486","","","0.0966","0.1018","","","","","","1.122","","","","has coordinates","271158","2021-12-07","02:53:29",""
"7243652","4.57964","0.00007","5.58662","0.00008","4.9692","0.00007","90","","90","","90","","127.136","0.003","293","","293","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- Fe2.667 O8 W1.333 -","- Fe2.6668 O8 W1.3332 -","- Fe2.6668 O8 W1.3332 -","1","0.125","","Quarez, Éric; Espinosa-Angeles, Julio César; Crosnier, Olivier; Joubert, Olivier; Brousse, Thierry","Revisiting the five-decade-old structure of the Fe2WO6 powder with incommensurate modulations","CrystEngComm","2021","23","41","7298","7304","10.1039/D1CE00916H","powder diffraction","x-ray","1.54186","","","0.0417","0.0381","","0.0449","0.0442","","","","1.33","","","","","","","has coordinates","270416","2021-11-06","19:48:23",""
"7243653","9.8424","0.0018","9.9803","0.0019","10.836","0.002","95.012","0.008","109.791","0.008","107.971","0.008","930.5","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H19 Co N2 O9 -","- C18 H19 Co N2 O9 -","- C36 H38 Co2 N4 O18 -","2","1","","Hu, Ji-Hong; Liu, Yuan-Chin; Chen, Jhy-Der","Cobalt(ii) coordination polymers constructed from bis(N-pyrid-3-ylmethyl)adipoamide and polycarboxylic acids: reversible structural transformation upon proton delivery and removal","CrystEngComm","2021","23","42","7471","7478","10.1039/D1CE01216A","","","0.71073","MoKα","","0.0397","0.0317","","","0.0776","0.0812","","","","","","1.052","","","","has coordinates","270420","2021-11-06","19:50:13",""
"7243654","10.4474","0.0009","12.2491","0.001","13.1227","0.0011","77.35","0.005","76.486","0.005","74.932","0.005","1554.1","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H38 Co N4 O8 -","- C30 H38 Co N4 O8 -","- C60 H76 Co2 N8 O16 -","2","1","","Hu, Ji-Hong; Liu, Yuan-Chin; Chen, Jhy-Der","Cobalt(ii) coordination polymers constructed from bis(N-pyrid-3-ylmethyl)adipoamide and polycarboxylic acids: reversible structural transformation upon proton delivery and removal","CrystEngComm","2021","23","42","7471","7478","10.1039/D1CE01216A","","","0.71073","MoKα","","0.0865","0.0477","","","0.1103","0.1235","","","","","","1.03","","","","has coordinates,has disorder","270420","2021-11-06","19:50:14",""
"7243655","10.4957","0.0003","10.1234","0.0003","16.807","0.0005","90","","106.706","0.002","90","","1710.41","0.09","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 Co N3 O6 -","- C17 H18 Co N3 O6 -","- C68 H72 Co4 N12 O24 -","4","1","","Hu, Ji-Hong; Liu, Yuan-Chin; Chen, Jhy-Der","Cobalt(ii) coordination polymers constructed from bis(N-pyrid-3-ylmethyl)adipoamide and polycarboxylic acids: reversible structural transformation upon proton delivery and removal","CrystEngComm","2021","23","42","7471","7478","10.1039/D1CE01216A","","","0.71073","MoKα","","0.0773","0.0479","","","0.1293","0.147","","","","","","1.039","","","","has coordinates","270420","2021-11-06","19:50:14",""
"7243656","9.1047","0.0007","11.1545","0.0008","22.7393","0.0017","99.678","0.004","93.31","0.004","106.073","0.004","2174.2","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H52 Co1.5 N6 O17 -","- C36 H50 Co1.5 N6 O17 -","- C72 H100 Co3 N12 O34 -","2","1","","Hu, Ji-Hong; Liu, Yuan-Chin; Chen, Jhy-Der","Cobalt(ii) coordination polymers constructed from bis(N-pyrid-3-ylmethyl)adipoamide and polycarboxylic acids: reversible structural transformation upon proton delivery and removal","CrystEngComm","2021","23","42","7471","7478","10.1039/D1CE01216A","","","0.71073","MoKα","","0.0622","0.0492","","","0.1493","0.1582","","","","","","1.055","","","","has coordinates,has disorder","270420","2021-11-06","19:50:14",""
"7243657","22.271","0.002","22.271","0.002","12.529","0.0016","90","","90","","90","","6214.4","1.1","295","2","295","","","","","","","","","5","P 42/n :2","-P 4bc","86","","Ni4AQ","","- C124 H108 N4 Ni O8 -","- C124 H108 N4 Ni O8 -","- C248 H216 N8 Ni2 O16 -","2","0.25","","Chen, Chen; Li, Dan; Cao, Guanyue; Qin, Zhonghe; Xu, Yi; Liu, Xiujun; Li, Qizhao; Xie, Yongshu; Li, Chengjie","Solvent-regulated biomorphs from the intense π,π-mediated assemblies of tetracenequinone fused porphyrin","CrystEngComm","2021","23","43","7565","7569","10.1039/D1CE01173A","","","1.54178","CuKα","","0.1197","0.0972","","","0.2893","0.3111","","","","","","1.189","","","","has coordinates,has disorder","271162","2021-12-07","02:55:25",""
"7243658","20.4751","0.0003","20.4751","0.0003","13.4593","0.001","90","","90","","90","","5642.5","0.4","100","0.1","100","0.1","","","","","","","","5","P -4","P -4","81","","Ni4TQ","","- C140.3 H117.1 N4 Ni O8 -","- C140.304 H117.112 N4 Ni O8 -","- C280.608 H234.224 N8 Ni2 O16 -","2","0.5","","Chen, Chen; Li, Dan; Cao, Guanyue; Qin, Zhonghe; Xu, Yi; Liu, Xiujun; Li, Qizhao; Xie, Yongshu; Li, Chengjie","Solvent-regulated biomorphs from the intense π,π-mediated assemblies of tetracenequinone fused porphyrin","CrystEngComm","2021","23","43","7565","7569","10.1039/D1CE01173A","","x-ray","1.54184","CuKα","","0.0909","0.0708","","","0.1993","0.2207","","","","","","1.059","","","","has coordinates,has disorder","271162","2021-12-07","02:55:37",""
"7243659","7.3361","0.0004","11.8575","0.0007","12.8075","0.0008","70.641","0.002","78.588","0.002","76.401","0.002","1012.86","0.1","100","2","99.95","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H23 N7 O2 S -","- C21 H23 N7 O2 S -","- C42 H46 N14 O4 S2 -","2","1","","Rai, Sunil K.; Baidya, Debjani; Nangia, Ashwini K.","Salts, solvates and hydrates of the multi-kinase inhibitor drug pazopanib with hydroxybenzoic acids","CrystEngComm","2021","23","35","5994","6011","10.1039/D1CE00785H","","","0.71073","MoKα","","0.1237","0.0756","","","0.1675","0.1936","","","","","","1.037","","","","has coordinates","269540","2021-10-04","20:44:44",""
"7243660","16.2967","0.0012","8.5063","0.0005","21.3502","0.0014","90","","108.21","0.002","90","","2811.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H31 N7 O6 S -","- C28 H31 N7 O6 S -","- C112 H124 N28 O24 S4 -","4","1","","Rai, Sunil K.; Baidya, Debjani; Nangia, Ashwini K.","Salts, solvates and hydrates of the multi-kinase inhibitor drug pazopanib with hydroxybenzoic acids","CrystEngComm","2021","23","35","5994","6011","10.1039/D1CE00785H","","","0.71073","MoKα","","0.1427","0.0729","","","0.1651","0.2041","","","","","","1.049","","","","has coordinates","269540","2021-10-04","20:44:44",""
"7243661","8.6083","0.0006","21.2446","0.0019","33.276","0.003","90","","90","","90","","6085.5","0.9","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H35 N7 O7 S -","- C30 H35 N7 O7 S -","- C240 H280 N56 O56 S8 -","8","1","","Rai, Sunil K.; Baidya, Debjani; Nangia, Ashwini K.","Salts, solvates and hydrates of the multi-kinase inhibitor drug pazopanib with hydroxybenzoic acids","CrystEngComm","2021","23","35","5994","6011","10.1039/D1CE00785H","","","0.71073","MoKα","","0.0766","0.0557","","","0.1408","0.1553","","","","","","1.033","","","","has coordinates","269540","2021-10-04","20:44:45",""
"7243662","36.464","0.006","8.7361","0.0017","24.937","0.005","90","","132.658","0.006","90","","5842","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H33 N7 O6 S -","- C29 H33 N7 O6 S -","- C232 H264 N56 O48 S8 -","8","1","","Rai, Sunil K.; Baidya, Debjani; Nangia, Ashwini K.","Salts, solvates and hydrates of the multi-kinase inhibitor drug pazopanib with hydroxybenzoic acids","CrystEngComm","2021","23","35","5994","6011","10.1039/D1CE00785H","","","0.71073","MoKα","","0.068","0.0658","","","0.1852","0.187","","","","","","1.086","","","","has coordinates","269540","2021-10-04","20:44:45",""
"7243663","16.4349","0.0008","8.4148","0.0005","22.4426","0.0012","90","","103.464","0.002","90","","3018.4","0.3","100","2","99.98","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H35 N7 O8 S -","- C29 H35 N7 O8 S -","- C116 H140 N28 O32 S4 -","4","1","","Rai, Sunil K.; Baidya, Debjani; Nangia, Ashwini K.","Salts, solvates and hydrates of the multi-kinase inhibitor drug pazopanib with hydroxybenzoic acids","CrystEngComm","2021","23","35","5994","6011","10.1039/D1CE00785H","","","0.71073","MoKα","","0.0562","0.047","","","0.1188","0.1266","","","","","","1.048","","","","has coordinates","269540","2021-10-04","20:44:45",""
"7243664","16.0673","0.0017","8.5659","0.0009","23.125","0.002","90","","106.194","0.003","90","","3056.4","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H34 N8 O6 S -","- C32 H34 N8 O6 S -","- C128 H136 N32 O24 S4 -","4","1","","Rai, Sunil K.; Baidya, Debjani; Nangia, Ashwini K.","Salts, solvates and hydrates of the multi-kinase inhibitor drug pazopanib with hydroxybenzoic acids","CrystEngComm","2021","23","35","5994","6011","10.1039/D1CE00785H","","","0.71073","MoKα","","0.0735","0.0612","","","0.1296","0.1355","","","","","","1.127","","","","has coordinates","269540","2021-10-04","20:44:45",""
"7243665","8.687","0.0014","10.446","0.002","16.411","0.003","77.708","0.009","77.031","0.008","74.897","0.009","1382.1","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H29 N7 O6 S -","- C28 H29 N7 O6 S -","- C56 H58 N14 O12 S2 -","2","1","","Rai, Sunil K.; Baidya, Debjani; Nangia, Ashwini K.","Salts, solvates and hydrates of the multi-kinase inhibitor drug pazopanib with hydroxybenzoic acids","CrystEngComm","2021","23","35","5994","6011","10.1039/D1CE00785H","","","0.71073","MoKα","","0.0368","0.0341","","","0.0946","0.1011","","","","","","1.071","","","","has coordinates","269540","2021-10-04","20:44:45",""
"7243666","7.499","0.002","14.142","0.004","15.071","0.003","77.4","0.011","77.647","0.013","86.005","0.014","1523.2","0.7","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H37 N7 O10 S -","- C28 H37 N7 O10 S -","- C56 H74 N14 O20 S2 -","2","1","","Rai, Sunil K.; Baidya, Debjani; Nangia, Ashwini K.","Salts, solvates and hydrates of the multi-kinase inhibitor drug pazopanib with hydroxybenzoic acids","CrystEngComm","2021","23","35","5994","6011","10.1039/D1CE00785H","","","0.71073","MoKα","","0.0615","0.0588","","","0.1661","0.1713","","","","","","1.164","","","","has coordinates","269540","2021-10-04","20:44:45",""
"7243667","8.5756","0.0003","22.7659","0.0008","14.185","0.0005","90","","90.794","0.001","90","","2769.09","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H29 N7 O6 S -","- C28 H29 N7 O6 S -","- C112 H116 N28 O24 S4 -","4","1","","Rai, Sunil K.; Baidya, Debjani; Nangia, Ashwini K.","Salts, solvates and hydrates of the multi-kinase inhibitor drug pazopanib with hydroxybenzoic acids","CrystEngComm","2021","23","35","5994","6011","10.1039/D1CE00785H","","","0.71073","MoKα","","0.0523","0.0483","","","0.1214","0.1244","","","","","","1.069","","","","has coordinates","269540","2021-10-04","20:44:46",""
"7243668","11.358","0.004","14.023","0.006","16.34","0.006","105.473","0.011","91.683","0.011","97.049","0.016","2484","1.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H31 N7 O3 S -","- C25 H31 N7 O3 S -","- C100 H124 N28 O12 S4 -","4","2","","Rai, Sunil K.; Baidya, Debjani; Nangia, Ashwini K.","Salts, solvates and hydrates of the multi-kinase inhibitor drug pazopanib with hydroxybenzoic acids","CrystEngComm","2021","23","35","5994","6011","10.1039/D1CE00785H","","","0.71073","MoKα","","0.048","0.0427","","","0.1104","0.1153","","","","","","1.131","","","","has coordinates","269540","2021-10-04","20:44:46",""
"7243669","14.727","0.003","23.437","0.005","5.987","0.0012","90","","90","","90","","2066.5","0.7","100","0.2","100","0.2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C22 H28 Cd N2 O5 -","- C22 H28 Cd N2 O5 -","- C88 H112 Cd4 N8 O20 -","4","0.5","","Soltani, Sajjad; Akhbari, Kamran; White, Jonathan","Effect of structural features on the stability and bactericidal potential of two cadmium coordination polymers","CrystEngComm","2021","23","42","7450","7461","10.1039/D1CE00979F","","","0.710918","Synchrotron","","0.0471","0.0461","","","0.1247","0.1255","","","","","","1.113","","","","has coordinates","270428","2021-11-06","19:51:30",""
"7243670","9.306","0.0019","10.76","0.002","10.904","0.002","114.49","0.03","104.24","0.03","103.92","0.03","887.5","0.5","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 Cd N2 O4 -","- C20 H18 Cd N2 O4 -","- C40 H36 Cd2 N4 O8 -","2","1","","Soltani, Sajjad; Akhbari, Kamran; White, Jonathan","Effect of structural features on the stability and bactericidal potential of two cadmium coordination polymers","CrystEngComm","2021","23","42","7450","7461","10.1039/D1CE00979F","","","0.710913","Synchrotron","","0.037","0.0361","","","0.0997","0.1005","","","","","","1.114","","","","has coordinates","270428","2021-11-06","19:51:30",""
"7243671","13.247","0.006","7.6192","0.0016","15.469","0.01","90","","92.42","0.06","90","","1559.9","1.3","394","2","394","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H31 Cl N6 O5 S -","- C30 H31 Cl N6 O5 S -","- C60 H62 Cl2 N12 O10 S2 -","2","1","","Gundlapalli, Suman; Devarapalli, Ramesh; Mudda, Ramesh Reddy; Chennuru, Ramanaiah; Rupakula, Ravichandrababu","Novel solid forms of insomnia drug suvorexant with improved solubility and dissolution: accessing salts from a salt solvate route","CrystEngComm","2021","23","44","7739","7749","10.1039/D1CE01269J","","x-ray","0.71073","MoKα","","0.4052","0.0956","","","0.1217","0.2293","","","","","","0.961","","","","has coordinates","271157","2021-12-07","02:52:55",""
"7243672","14.727","0.003","23.437","0.005","5.987","0.0012","90","","90","","90","","2066.5","0.7","100","0.2","100","0.2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C22 H28 Cd N2 O5 -","- C22 H28 Cd N2 O5 -","- C88 H112 Cd4 N8 O20 -","4","0.5","","Gundlapalli, Suman; Devarapalli, Ramesh; Mudda, Ramesh Reddy; Chennuru, Ramanaiah; Rupakula, Ravichandrababu","Novel solid forms of insomnia drug suvorexant with improved solubility and dissolution: accessing salts from a salt solvate route","CrystEngComm","2021","23","44","7739","7749","10.1039/D1CE01269J","","","0.710918","Synchrotron","","0.0471","0.0461","","","0.1247","0.1255","","","","","","1.113","","","","has coordinates","271157","2021-12-07","02:52:55",""
"7243673","9.306","0.0019","10.76","0.002","10.904","0.002","114.49","0.03","104.24","0.03","103.92","0.03","887.5","0.5","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 Cd N2 O4 -","- C20 H18 Cd N2 O4 -","- C40 H36 Cd2 N4 O8 -","2","1","","Gundlapalli, Suman; Devarapalli, Ramesh; Mudda, Ramesh Reddy; Chennuru, Ramanaiah; Rupakula, Ravichandrababu","Novel solid forms of insomnia drug suvorexant with improved solubility and dissolution: accessing salts from a salt solvate route","CrystEngComm","2021","23","44","7739","7749","10.1039/D1CE01269J","","","0.710913","Synchrotron","","0.037","0.0361","","","0.0997","0.1005","","","","","","1.114","","","","has coordinates","271157","2021-12-07","02:52:55",""
"7243674","15.4711","0.0018","7.0655","0.0006","13.0349","0.0012","90","","104.993","0.011","90","","1376.4","0.2","120","2","120","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C29 H29 Cl N6 O5 S -","- C29 H29 Cl N6 O5 S -","- C58 H58 Cl2 N12 O10 S2 -","2","1","","Gundlapalli, Suman; Devarapalli, Ramesh; Mudda, Ramesh Reddy; Chennuru, Ramanaiah; Rupakula, Ravichandrababu","Novel solid forms of insomnia drug suvorexant with improved solubility and dissolution: accessing salts from a salt solvate route","CrystEngComm","2021","23","44","7739","7749","10.1039/D1CE01269J","","x-ray","0.71073","MoKα","","0.1","0.0689","","","0.1092","0.1229","","","","","","1.017","","","","has coordinates","271157","2021-12-07","02:52:55",""
"7243675","14.5891","0.0008","7.5159","0.0003","15.6522","0.0009","90","","113.725","0.007","90","","1571.22","0.16","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C31 H35 Cl N6 O6 S -","- C31 H35 Cl N6 O6 S -","- C62 H70 Cl2 N12 O12 S2 -","2","1","","Gundlapalli, Suman; Devarapalli, Ramesh; Mudda, Ramesh Reddy; Chennuru, Ramanaiah; Rupakula, Ravichandrababu","Novel solid forms of insomnia drug suvorexant with improved solubility and dissolution: accessing salts from a salt solvate route","CrystEngComm","2021","23","44","7739","7749","10.1039/D1CE01269J","","x-ray","0.71073","MoKα","","0.0616","0.0509","","","0.0961","0.1059","","","","","","1.045","","","","has coordinates","271157","2021-12-07","02:52:55",""
"7243676","8.175","0.0004","11.225","0.0005","12.1741","0.0005","76.648","0.002","86.085","0.002","70.908","0.002","1027.13","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H13 N3 O10 U2 -","- C17 H13 N3 O10 U2 -","- C34 H26 N6 O20 U4 -","2","1","","Thuéry, Pierre; Harrowfield, Jack","Uranyl ion complexes with 2,2′:6′,2′′-terpyridine-4′-carboxylate. Interpenetration of networks involving “expanded ligands”","CrystEngComm","2021","23","41","7305","7313","10.1039/D1CE01215K","","","0.71073","MoKα","","0.0389","0.0252","","","0.0557","0.063","","","","","","1.157","","","","has coordinates","270411","2021-11-06","19:47:26",""
"7243677","10.4295","0.0005","10.5028","0.0006","11.5621","0.0006","63.375","0.002","74.261","0.002","80.69","0.002","1088.56","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H17 N3 O11 Pb U -","- C18 H16 N3 O11 Pb U -","- C36 H32 N6 O22 Pb2 U2 -","2","1","","Thuéry, Pierre; Harrowfield, Jack","Uranyl ion complexes with 2,2′:6′,2′′-terpyridine-4′-carboxylate. Interpenetration of networks involving “expanded ligands”","CrystEngComm","2021","23","41","7305","7313","10.1039/D1CE01215K","","","0.71073","MoKα","","0.0209","0.0203","","","0.0466","0.0468","","","","","","1.192","","","","has coordinates","270411","2021-11-06","19:47:26",""
"7243678","8.7682","0.0002","16.9333","0.0005","28.1757","0.0007","90","","98.6612","0.0013","90","","4135.67","0.19","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H26 N7 Ni O12.5 U -","- C32 H25 N7 Ni O12.5 U -","- C128 H100 N28 Ni4 O50 U4 -","4","1","","Thuéry, Pierre; Harrowfield, Jack","Uranyl ion complexes with 2,2′:6′,2′′-terpyridine-4′-carboxylate. Interpenetration of networks involving “expanded ligands”","CrystEngComm","2021","23","41","7305","7313","10.1039/D1CE01215K","","","0.71073","MoKα","","0.038","0.0337","","","0.0747","0.0763","","","","","","1.093","","","","has coordinates","270411","2021-11-06","19:47:26",""
"7243679","18.5799","0.0005","18.5799","0.0005","42.3462","0.0013","90","","90","","90","","14618.4","0.7","100","2","100","2","","","","","","","","6","P 41","P 4w","76","","","","- C64 H60 N14 Ni2 O29 U2 -","- C64 H42 N14 Ni2 O29 U2 -","- C512 H336 N112 Ni16 O232 U16 -","8","2","","Thuéry, Pierre; Harrowfield, Jack","Uranyl ion complexes with 2,2′:6′,2′′-terpyridine-4′-carboxylate. Interpenetration of networks involving “expanded ligands”","CrystEngComm","2021","23","41","7305","7313","10.1039/D1CE01215K","","","0.71073","MoKα","","0.0383","0.036","","","0.08","0.081","","","","","","1.159","","","","has coordinates","270411","2021-11-06","19:47:26",""
"7243681","9.2609","0.0019","24.972","0.005","9.6398","0.0019","90","","109.03","0.03","90","","2107.5","0.8","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H25 N5 O2 S -","- C21 H25 N5 O2 S -","- C84 H100 N20 O8 S4 -","4","1","","Zhao, Chenyang; Li, Wanya; Li, Zhonghua; Hu, Weiguo; Zhang, Suoqing; Wu, Songgu","Preparation and solid-state characterization of dapsone pharmaceutical cocrystals through the supramolecular synthon strategy","CrystEngComm","2021","23","38","6690","6702","10.1039/D1CE00945A","","","","","","0.132","","","","","","","","","","","","","","","has coordinates","270448","2021-11-06","19:59:25",""
"7243682","5.7687","0.0012","7.8235","0.0016","35.517","0.007","90","","91.67","0.03","90","","1602.3","0.6","113","2","113.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","DAP-PYR (2:1)","","- C33 H37 N7 O4 S2 -","- C33 H37 N7 O4 S2 -","- C66 H74 N14 O8 S4 -","2","0.5","","Zhao, Chenyang; Li, Wanya; Li, Zhonghua; Hu, Weiguo; Zhang, Suoqing; Wu, Songgu","Preparation and solid-state characterization of dapsone pharmaceutical cocrystals through the supramolecular synthon strategy","CrystEngComm","2021","23","38","6690","6702","10.1039/D1CE00945A","","","0.71073","MoKα","","0.0645","0.0481","","","0.1123","0.1227","","","","","","1.079","","","","has coordinates,has disorder","270448","2021-11-06","19:59:26",""
"7243683","7.8228","0.0003","13.8222","0.0006","16.4334","0.0008","90","","90","","90","","1776.92","0.13","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H20 Br3 Na O5 Pb -","- C10 H20 Br3 Na O5 Pb -","- C40 H80 Br12 Na4 O20 Pb4 -","4","0.5","","Yuan, Guo-Jun; Zhou, Hong; Li, Li; Chen, Hong; Ren, Xiao-Ming","Supramolecular [Na(15-crown-5)]+ cations anchored to face-sharing octahedral lead bromide chains featuring a rotor-like one-dimensional perovskite with a reversible isostructural phase transition near room temperature","CrystEngComm","2021","23","44","7787","7793","10.1039/D1CE01273H","","","0.71073","MoKα","","0.0296","0.0226","","","0.0467","0.0487","","","","","","1.042","","","","has coordinates","271159","2021-12-07","02:53:53",""
"7243684","7.8558","0.0003","13.8616","0.0005","16.5205","0.0007","90","","90","","90","","1798.98","0.12","200","2","200","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H20 Br3 Na O5 Pb -","- C10 H20 Br3 Na O5 Pb -","- C40 H80 Br12 Na4 O20 Pb4 -","4","0.5","","Yuan, Guo-Jun; Zhou, Hong; Li, Li; Chen, Hong; Ren, Xiao-Ming","Supramolecular [Na(15-crown-5)]+ cations anchored to face-sharing octahedral lead bromide chains featuring a rotor-like one-dimensional perovskite with a reversible isostructural phase transition near room temperature","CrystEngComm","2021","23","44","7787","7793","10.1039/D1CE01273H","","","0.71073","MoKα","","0.0403","0.0262","","","0.0507","0.0546","","","","","","0.992","","","","has coordinates","271159","2021-12-07","02:53:56",""
"7243685","7.9139","0.0003","13.9195","0.0006","16.6734","0.0008","90","","90","","90","","1836.7","0.14","315","2","315","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H20 Br3 Na O5 Pb -","- C10 H20 Br3 Na O5 Pb -","- C40 H80 Br12 Na4 O20 Pb4 -","4","0.5","","Yuan, Guo-Jun; Zhou, Hong; Li, Li; Chen, Hong; Ren, Xiao-Ming","Supramolecular [Na(15-crown-5)]+ cations anchored to face-sharing octahedral lead bromide chains featuring a rotor-like one-dimensional perovskite with a reversible isostructural phase transition near room temperature","CrystEngComm","2021","23","44","7787","7793","10.1039/D1CE01273H","","","0.71073","MoKα","","0.0536","0.0282","","","0.0444","0.0494","","","","","","1.027","","","","has coordinates","271159","2021-12-07","02:53:58",""
"7243686","7.9357","0.0003","13.9514","0.0006","16.7733","0.0008","90","","90","","90","","1857.04","0.14","350","2","350","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H20 Br3 Na O5 Pb -","- C10 H20 Br3 Na O5 Pb -","- C40 H80 Br12 Na4 O20 Pb4 -","4","0.5","","Yuan, Guo-Jun; Zhou, Hong; Li, Li; Chen, Hong; Ren, Xiao-Ming","Supramolecular [Na(15-crown-5)]+ cations anchored to face-sharing octahedral lead bromide chains featuring a rotor-like one-dimensional perovskite with a reversible isostructural phase transition near room temperature","CrystEngComm","2021","23","44","7787","7793","10.1039/D1CE01273H","","","0.71073","MoKα","","0.0676","0.034","","","0.0543","0.0619","","","","","","1.027","","","","has coordinates","271159","2021-12-07","02:53:59",""
"7243687","7.9192","0.0003","13.9256","0.0006","16.7036","0.0008","90","","90","","90","","1842.07","0.14","330","2","330","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H20 Br3 Na O5 Pb -","- C10 H20 Br3 Na O5 Pb -","- C40 H80 Br12 Na4 O20 Pb4 -","4","0.5","","Yuan, Guo-Jun; Zhou, Hong; Li, Li; Chen, Hong; Ren, Xiao-Ming","Supramolecular [Na(15-crown-5)]+ cations anchored to face-sharing octahedral lead bromide chains featuring a rotor-like one-dimensional perovskite with a reversible isostructural phase transition near room temperature","CrystEngComm","2021","23","44","7787","7793","10.1039/D1CE01273H","","","0.71073","MoKα","","0.0589","0.0314","","","0.0518","0.0577","","","","","","1.038","","","","has coordinates","271159","2021-12-07","02:54:01",""
"7243688","7.9171","0.0003","13.9272","0.0005","16.6694","0.0007","90","","90","","90","","1838.02","0.12","305","2","305","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H20 Br3 Na O5 Pb -","- C10 H20 Br3 Na O5 Pb -","- C40 H80 Br12 Na4 O20 Pb4 -","4","0.5","","Yuan, Guo-Jun; Zhou, Hong; Li, Li; Chen, Hong; Ren, Xiao-Ming","Supramolecular [Na(15-crown-5)]+ cations anchored to face-sharing octahedral lead bromide chains featuring a rotor-like one-dimensional perovskite with a reversible isostructural phase transition near room temperature","CrystEngComm","2021","23","44","7787","7793","10.1039/D1CE01273H","","","0.71073","MoKα","","0.0575","0.031","","","0.0491","0.0549","","","","","","1.022","","","","has coordinates","271159","2021-12-07","02:54:05",""
"7243689","7.8962","0.0003","13.9023","0.0005","16.6281","0.0008","90","","90","","90","","1825.36","0.13","290","2","290","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H20 Br3 Na O5 Pb -","- C10 H20 Br3 Na O5 Pb -","- C40 H80 Br12 Na4 O20 Pb4 -","4","0.5","","Yuan, Guo-Jun; Zhou, Hong; Li, Li; Chen, Hong; Ren, Xiao-Ming","Supramolecular [Na(15-crown-5)]+ cations anchored to face-sharing octahedral lead bromide chains featuring a rotor-like one-dimensional perovskite with a reversible isostructural phase transition near room temperature","CrystEngComm","2021","23","44","7787","7793","10.1039/D1CE01273H","","","0.71073","MoKα","","0.0483","0.0268","","","0.0453","0.0502","","","","","","1.026","","","","has coordinates","271159","2021-12-07","02:54:05",""
"7243690","7.8377","0.0003","13.8396","0.0006","16.4718","0.0008","90","","90","","90","","1786.71","0.13","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H20 Br3 Na O5 Pb -","- C10 H20 Br3 Na O5 Pb -","- C40 H80 Br12 Na4 O20 Pb4 -","4","0.5","","Yuan, Guo-Jun; Zhou, Hong; Li, Li; Chen, Hong; Ren, Xiao-Ming","Supramolecular [Na(15-crown-5)]+ cations anchored to face-sharing octahedral lead bromide chains featuring a rotor-like one-dimensional perovskite with a reversible isostructural phase transition near room temperature","CrystEngComm","2021","23","44","7787","7793","10.1039/D1CE01273H","","","0.71073","MoKα","","0.0363","0.0258","","","0.0492","0.0521","","","","","","1.036","","","","has coordinates","271159","2021-12-07","02:54:05",""
"7243691","7.8755","0.0003","13.8822","0.0005","16.5729","0.0007","90","","90","","90","","1811.9","0.12","250","2","250","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H20 Br3 Na O5 Pb -","- C10 H20 Br3 Na O5 Pb -","- C40 H80 Br12 Na4 O20 Pb4 -","4","0.5","","Yuan, Guo-Jun; Zhou, Hong; Li, Li; Chen, Hong; Ren, Xiao-Ming","Supramolecular [Na(15-crown-5)]+ cations anchored to face-sharing octahedral lead bromide chains featuring a rotor-like one-dimensional perovskite with a reversible isostructural phase transition near room temperature","CrystEngComm","2021","23","44","7787","7793","10.1039/D1CE01273H","","","0.71073","MoKα","","0.0474","0.0272","","","0.0496","0.0543","","","","","","1.031","","","","has coordinates","271159","2021-12-07","02:54:08",""
"7243692","13.6568","0.001","4.4427","0.0003","18.6786","0.0014","90","","101.195","0.001","90","","1111.72","0.14","223","2","223","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C19 H19 N2 O8 Pb2 -","- C19 H19 N2 O8 Pb2 -","- C38 H38 N4 O16 Pb4 -","2","0.5","","Peedikakkal, Abdul Malik P.; Jalilov, Almaz S.; Shaikh, Abdul Rajjak; Kalanthoden, Abdul Nasar; Al-Saadi, Abdulaziz A.","Blue- and white-light-emitting 2D-coordination polymers and their solid-state photodimerization reaction","CrystEngComm","2021","23","43","7663","7670","10.1039/D1CE00991E","","","0.71073","MoKα","","0.0582","0.0534","","","0.1291","0.1327","","","","","","1.128","","","","has coordinates,has disorder","271169","2021-12-07","03:05:41",""
"7243693","18.508","0.002","4.0982","0.0005","18.984","0.002","90","","96.68","0.002","90","","1430.2","0.3","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C28 H24 N4 O8 Pb2 -","- C28 H24 N4 O8 Pb2 -","- C56 H48 N8 O16 Pb4 -","2","0.5","","Peedikakkal, Abdul Malik P.; Jalilov, Almaz S.; Shaikh, Abdul Rajjak; Kalanthoden, Abdul Nasar; Al-Saadi, Abdulaziz A.","Blue- and white-light-emitting 2D-coordination polymers and their solid-state photodimerization reaction","CrystEngComm","2021","23","43","7663","7670","10.1039/D1CE00991E","","","0.71073","MoKα","","0.062","0.0489","","","0.1202","0.1274","","","","","","1.057","","","","has coordinates,has disorder","271169","2021-12-07","03:05:44",""
"7243694","21.4117","0.0012","11.5851","0.0006","25.3771","0.0014","90","","103.588","0.001","90","","6118.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57 H67 Cu2 N11 O21 -","- C57 H67 Cu2 N11 O21 -","- C228 H268 Cu8 N44 O84 -","4","1","","Malaza, Siphelele S. P.; Mehlana, Gift; Cheung, Ocean; Hunter, Roger; Makhubela, Banothile C. E.","Crystalline Cu(ii) metal–organic frameworks based on a carboxamide pincer ligand and an NCONCON–Pd(ii) pincer complex","CrystEngComm","2021","23","42","7418","7424","10.1039/D1CE00999K","","","0.71073","MoKα","","0.0563","0.0379","","","0.092","0.1023","","","","","","1.03","","","","has coordinates","270423","2021-11-06","19:50:42",""
"7243695","19.6662","0.0002","20.9151","0.0001","18.3648","0.0002","90","","117.44","0.002","90","","6703.97","0.16","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C50 H40 Cu2 N8 O16 Pd2 -","- C50 H40 Cu2 N8 O16 Pd2 -","- C200 H160 Cu8 N32 O64 Pd8 -","4","1","","Malaza, Siphelele S. P.; Mehlana, Gift; Cheung, Ocean; Hunter, Roger; Makhubela, Banothile C. E.","Crystalline Cu(ii) metal–organic frameworks based on a carboxamide pincer ligand and an NCONCON–Pd(ii) pincer complex","CrystEngComm","2021","23","42","7418","7424","10.1039/D1CE00999K","","","1.54184","CuKα","","0.0478","0.0468","","","0.1209","0.1216","","","","","","1.029","","","","has coordinates","270423","2021-11-06","19:50:42",""
"7243703","14.3455","0.0005","27.8054","0.0011","27.708","0.0011","90","","90.205","0.002","90","","11052.2","0.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H16 N3 O8 S4 Zn2 -","- C23 H16 N3 O8 S4 Zn2 -","- C184 H128 N24 O64 S32 Zn16 -","8","1","","Liang, Yu-Jie; Yao, Jun; Deng, Min; Liu, Yan-E.; Xu, Quan-Qing; Li, Qiu-Xia; Jing, Bi; Zhu, Ai-Xin; Huang, Bo","A porous anionic zinc(ii) metal–organic framework for gas adsorption, selective uptake of dyes and sensing of Fe3+ by Tb3+ ion encapsulation","CrystEngComm","2021","23","41","7348","7357","10.1039/D1CE01074C","","","1.54178","CuKα","","0.1197","0.1137","","","0.2747","0.2794","","","","","","1.059","","","","has coordinates","270410","2021-11-06","19:46:40",""
"7243705","16.1541","0.0002","18.0486","0.0002","23.7037","0.0003","90","","91.155","0.001","90","","6909.62","0.14","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C50 H108 Ce N9 O12 S2 -","- C50 H107 Ce N9 O12 S2 -","- C200 H428 Ce4 N36 O48 S8 -","4","1","","Ying, Tingting; Tan, Yuhui; Tang, Yunzhi; Long, Xiao; Song, Ning; Li, Yukong; Sun, Zhen","Multifunctional rare earth molecular ferroelectrics with a piezoelectric response: ((nBu)4N)3[Ce(NO3)4(SCN)2]((CH3CH2CH2CH2)4N = tetrabutylammonium)","CrystEngComm","2021","23","46","8104","8109","10.1039/D1CE01153G","","","0.71073","MoKα","","0.039","0.0363","","","0.0981","0.0994","","","","","","1.052","","","","has coordinates,has disorder","271172","2021-12-07","03:07:31",""
"7243706","8.9895","0.0003","11.5404","0.0003","33.0283","0.0007","95.255","0.002","96.857","0.002","102.441","0.002","3297.64","0.16","99.99","0.1","99.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C116 H96 Cd5 N6 O30 -","- C112 H80 Cd5 N4 O30 -","- C112 H80 Cd5 N4 O30 -","1","0.5","","Qiao, Yang; Li, Zeqi; Yu, Mei-Hui; Chang, Ze; Bu, Xian-He","A metal–organic framework featuring highly sensitive fluorescence sensing for Al3+ ions","CrystEngComm","2021","23","46","8087","8092","10.1039/D1CE01115D","","","1.54184","CuKα","","0.0721","0.0668","","","0.1712","0.1748","","","","","","1.049","","","","has coordinates,has disorder","271175","2021-12-07","03:08:10",""
"7243707","12.004","0.002","13.159","0.002","14.922","0.002","86.296","0.004","87.495","0.006","71.75","0.004","2233.2","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","heterobimetallc ruthenium gallate complex","","- C51 H51 Cl2 Ga P2 Ru -","- C51 H51 Cl2 Ga P2 Ru -","- C102 H102 Cl4 Ga2 P4 Ru2 -","2","1","","García Ponce, Jorge; Díaz-Ramírez, Mariana L.; Gorla, Saidulu; Navarathna, Chanaka; Sanchez-Lecuona, Gabriela; Donnadieu, Bruno; Ibarra, Ilich A.; Montiel-Palma, Virginia","SO2 capture enhancement in NU-1000 by the incorporation of a ruthenium gallate organometallic complex","CrystEngComm","2021","23","42","7479","7484","10.1039/D1CE01076J","","","0.71073","MoKα","","0.0308","0.0254","","","0.0553","0.0579","","","","","","1.063","","","","has coordinates","270426","2021-11-06","19:51:09",""
"7243708","11.035","0.002","11.907","0.002","13.273","0.003","81.38","0.002","70.064","0.002","71.719","0.002","1554.9","0.5","101","2","101","2","","","","","","","","4","P -1","-P 1","2","1,10-phenanthrolinium pamoate DMA solvate","","","- C39 H33 N3 O7 -","- C39 H33 N3 O7 -","- C78 H66 N6 O14 -","2","1","","Lombard, Jean; Laker, Heinrich; Prins, Francis; Wahl, Helene; le Roex, Tanya; Haynes, Delia A.","Selectivity of hosts for guests by liquid-assisted grinding: differences between solution and mechanochemistry","CrystEngComm","2021","23","42","7380","7384","10.1039/D1CE01286J","","","0.71073","MoKα","","0.0725","0.0496","","","0.1189","0.1322","","","","","","1.033","","","","has coordinates","270422","2021-11-06","19:50:32",""
"7243709","10.653","0.003","11.153","0.003","13.566","0.004","85.062","0.004","74.512","0.003","72.396","0.003","1480.5","0.7","108","2","108","2","","","","","","","","4","P -1","-P 1","2","1,10-phenanthrolinium pamoate THF solvate","","","- C39 H32 N2 O7 -","- C39 H32 N2 O7 -","- C78 H64 N4 O14 -","2","1","","Lombard, Jean; Laker, Heinrich; Prins, Francis; Wahl, Helene; le Roex, Tanya; Haynes, Delia A.","Selectivity of hosts for guests by liquid-assisted grinding: differences between solution and mechanochemistry","CrystEngComm","2021","23","42","7380","7384","10.1039/D1CE01286J","","","0.71073","MoKα","","0.0966","0.0681","","","0.1946","0.2175","","","","","","1.071","","","","has coordinates","270422","2021-11-06","19:50:33",""
"7243710","10.6989","0.0018","11.63","0.002","13.421","0.002","82.162","0.005","72.106","0.005","72.058","0.005","1510.3","0.4","105","2","105","2","","","","","","","","4","P -1","-P 1","2","1,10-phenanthrolinium pamoate DMF solvate","","","- C38 H31 N3 O7 -","- C38 H31 N3 O7 -","- C76 H62 N6 O14 -","2","1","","Lombard, Jean; Laker, Heinrich; Prins, Francis; Wahl, Helene; le Roex, Tanya; Haynes, Delia A.","Selectivity of hosts for guests by liquid-assisted grinding: differences between solution and mechanochemistry","CrystEngComm","2021","23","42","7380","7384","10.1039/D1CE01286J","","","0.71073","MoKα","","0.0661","0.0503","","","0.1335","0.148","","","","","","1.02","","","","has coordinates","270422","2021-11-06","19:50:33",""
"7243711","10.554","0.0002","11.3682","0.0002","13.7388","0.0002","84.165","0.001","74.55","0.001","72.852","0.001","1517.71","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","1,10-phenanthrolinium pamoate DMSO solvate","","","- C37 H30 N2 O7 S -","- C37 H30 N2 O7 S -","- C74 H60 N4 O14 S2 -","2","1","","Lombard, Jean; Laker, Heinrich; Prins, Francis; Wahl, Helene; le Roex, Tanya; Haynes, Delia A.","Selectivity of hosts for guests by liquid-assisted grinding: differences between solution and mechanochemistry","CrystEngComm","2021","23","42","7380","7384","10.1039/D1CE01286J","","","0.71073","MoKα","","0.0692","0.0459","","","0.1125","0.1295","","","","","","1.013","","","","has coordinates,has disorder","270422","2021-11-06","19:50:33",""
"7243712","18.7914","0.0004","9.2921","0.0004","19.0621","0.0004","90","","99.32","","90","","3284.52","0.17","128","2","128","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Clopamide anhydrate","4-chloro-N-(2,6-dimethylpiperidin-1-yl)-3-sulfamoylbenzamide","","- C14 H20 Cl N3 O3 S -","- C14 H20 Cl N3 O3 S -","- C112 H160 Cl8 N24 O24 S8 -","8","2","","Gál, G. Tamás; May, Nóra V.; Trif, László; Mihály, Judith; Bombicz, Petra","Solvatomorph and polymorph screening of clopamide drug and its copper(ii) complex crystals","CrystEngComm","2021","23","42","7425","7441","10.1039/D1CE00995H","","","1.54178","CuKα","","0.1199","0.0998","","","0.2258","0.2344","","","","","","1.229","","","","has coordinates","270419","2021-11-06","19:49:58",""
"7243713","7.8247","0.0014","13.829","0.002","15.156","0.003","78.981","0.004","81.309","0.004","85.041","0.004","1588.5","0.5","103","2","103","2","","","","","","","","7","P -1","-P 1","2","clopamide copper(II)","trans-bis(4-chloro-N-(2,6-dimethylpiperidin-1-yl)-3-sulfamoylbenzamide)-copper(II)","","- C28 H38 Cl2 Cu N6 O6 S2 -","- C28 H38 Cl2 Cu N6 O6 S2 -","- C56 H76 Cl4 Cu2 N12 O12 S4 -","2","1","","Gál, G. Tamás; May, Nóra V.; Trif, László; Mihály, Judith; Bombicz, Petra","Solvatomorph and polymorph screening of clopamide drug and its copper(ii) complex crystals","CrystEngComm","2021","23","42","7425","7441","10.1039/D1CE00995H","","","0.71073","MoKα","","0.2417","0.1496","","","0.3058","0.3567","","","","","","1.11","","","","has coordinates","270419","2021-11-06","19:50:01",""
"7243714","13.46","0.001","15.2424","0.0011","18.1855","0.0016","114.627","0.006","93.362","0.008","90.021","0.006","3384.5","0.5","123","2","123","2","","","","","","","","7","P -1","-P 1","2","clopamide copper(II)","trans-bis(4-chloro-N-(2,6-dimethylpiperidin-1-yl)-3-sulfamoylbenzamide)-copper(II)","","- C28 H38 Cl2 Cu N6 O6 S2 -","- C28 H38 Cl2 Cu N6 O6 S2 -","- C112 H152 Cl8 Cu4 N24 O24 S8 -","4","2","","Gál, G. Tamás; May, Nóra V.; Trif, László; Mihály, Judith; Bombicz, Petra","Solvatomorph and polymorph screening of clopamide drug and its copper(ii) complex crystals","CrystEngComm","2021","23","42","7425","7441","10.1039/D1CE00995H","","","0.71073","MoKα","","0.1375","0.0777","","","0.12","0.1368","","","","","","1.054","","","","has coordinates","270419","2021-11-06","19:50:01",""
"7243715","23.078","0.003","23.078","0.003","18.3291","0.0012","90","","90","","120","","8454.1","1.6","153","2","153","2","","","","","","","","7","R -3 :H","-R 3","148","clopamide copper(II)","trans-bis(4-chloro-N-(2,6-dimethylpiperidin-1-yl)-3-sulfamoylbenzamide)-copper(II)","","- C28 H38 Cl2 Cu N6 O6 S2 -","- C28 H38 Cl2 Cu N6 O6 S2 -","- C252 H342 Cl18 Cu9 N54 O54 S18 -","9","0.5","","Gál, G. Tamás; May, Nóra V.; Trif, László; Mihály, Judith; Bombicz, Petra","Solvatomorph and polymorph screening of clopamide drug and its copper(ii) complex crystals","CrystEngComm","2021","23","42","7425","7441","10.1039/D1CE00995H","","","1.54187","CuKα","","0.2142","0.1033","","","0.1672","0.2052","","","","","","1.094","","","","has coordinates","270419","2021-11-06","19:50:01",""
"7243716","26.699","0.002","9.8941","0.0008","15.6876","0.0014","90","","104.75","0.007","90","","4007.5","0.6","128","2","128","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","clopamide copper(II) dichloromethane","trans-bis(4-chloro-N-(2,6-dimethylpiperidin-1-yl)-3-sulfamoylbenzamide)-copper(II) dichloromethane solvate","","- C30 H42 Cl6 Cu N6 O6 S2 -","- C30 H42 Cl6 Cu N6 O6 S2 -","- C120 H168 Cl24 Cu4 N24 O24 S8 -","4","0.5","","Gál, G. Tamás; May, Nóra V.; Trif, László; Mihály, Judith; Bombicz, Petra","Solvatomorph and polymorph screening of clopamide drug and its copper(ii) complex crystals","CrystEngComm","2021","23","42","7425","7441","10.1039/D1CE00995H","","","1.54187","CuKα","","0.1623","0.1231","","","0.2351","0.2539","","","","","","1.151","","","","has coordinates","270419","2021-11-06","19:50:01",""
"7243717","8.497","0.005","8.404","0.004","16.31","0.008","83.113","0.012","79.445","0.01","67.366","0.01","1055.2","1","103","2","103","2","","","","","","","","7","P -1","-P 1","2","clopamide copper(II) diprophanol dihydrate","trans-bis(4-chloro-N-(2,6-dimethylpiperidin-1-yl)-3-sulfamoylbenzamide)-copper(II) diprophanol solvate dihydrate","","- C34 H58 Cl2 Cu N6 O10 S2 -","- C34 H58 Cl2 Cu N6 O10 S2 -","- C34 H58 Cl2 Cu N6 O10 S2 -","1","0.5","","Gál, G. Tamás; May, Nóra V.; Trif, László; Mihály, Judith; Bombicz, Petra","Solvatomorph and polymorph screening of clopamide drug and its copper(ii) complex crystals","CrystEngComm","2021","23","42","7425","7441","10.1039/D1CE00995H","","","0.71073","MoKα","","0.1149","0.0856","","","0.2121","0.2365","","","","","","1.059","","","","has coordinates","270419","2021-11-06","19:50:01",""
"7243718","8.3107","0.0014","8.7469","0.0014","16.387","0.003","79.713","0.005","87.099","0.004","65.629","0.004","1067.3","0.3","103","2","103","2","","","","","","","","7","P -1","-P 1","2","clopamide copper(II) diisoprophanol dihydrate","trans-bis(4-chloro-N-(2,6-dimethylpiperidin-1-yl)-3-sulfamoylbenzamide)-copper(II) diisoprophanol solvate dihydrate","","- C34 H58 Cl2 Cu N6 O10 S2 -","- C34 H58 Cl2 Cu N6 O10 S2 -","- C34 H58 Cl2 Cu N6 O10 S2 -","1","0.5","","Gál, G. Tamás; May, Nóra V.; Trif, László; Mihály, Judith; Bombicz, Petra","Solvatomorph and polymorph screening of clopamide drug and its copper(ii) complex crystals","CrystEngComm","2021","23","42","7425","7441","10.1039/D1CE00995H","","","0.71073","MoKα","","0.0816","0.069","","","0.1506","0.1574","","","","","","1.087","","","","has coordinates,has disorder","270419","2021-11-06","19:50:01",""
"7243719","7.7518","0.0003","8.0901","0.0004","16.3683","0.0007","83.113","0.001","78.821","0.001","71.659","0.001","953.96","0.07","103","2","103","2","","","","","","","","7","P -1","-P 1","2","clopamide copper(II) dimethanol dihydrate","trans-bis(4-chloro-N-(2,6-dimethylpiperidin-1-yl)-3-sulfamoylbenzamide)-copper(II) dimethanol solvate dihydrate","","- C30 H50 Cl2 Cu N6 O10 S2 -","- C30 H50 Cl2 Cu N6 O10 S2 -","- C30 H50 Cl2 Cu N6 O10 S2 -","1","0.5","","Gál, G. Tamás; May, Nóra V.; Trif, László; Mihály, Judith; Bombicz, Petra","Solvatomorph and polymorph screening of clopamide drug and its copper(ii) complex crystals","CrystEngComm","2021","23","42","7425","7441","10.1039/D1CE00995H","","","0.71073","MoKα","","0.0684","0.0472","","","0.102","0.1282","","","","","","1.101","","","","has coordinates","270419","2021-11-06","19:50:01",""
"7243720","8.2195","0.0007","8.2439","0.0007","16.4822","0.0014","85.598","0.002","78.212","0.002","68.273","0.002","1015.62","0.15","103","2","103","2","","","","","","","","7","P -1","-P 1","2","clopamide copper(II) diethanol dihydrate","trans-bis(4-chloro-N-(2,6-dimethylpiperidin-1-yl)-3-sulfamoylbenzamide)-copper(II) diethanol solvate dihydrate","","- C32 H54 Cl2 Cu N6 O10 S2 -","- C32 H54 Cl2 Cu N6 O10 S2 -","- C32 H54 Cl2 Cu N6 O10 S2 -","1","0.5","","Gál, G. Tamás; May, Nóra V.; Trif, László; Mihály, Judith; Bombicz, Petra","Solvatomorph and polymorph screening of clopamide drug and its copper(ii) complex crystals","CrystEngComm","2021","23","42","7425","7441","10.1039/D1CE00995H","","","0.71073","MoKα","","0.1175","0.0969","","","0.2379","0.2553","","","","","","1.095","","","","has coordinates","270419","2021-11-06","19:50:01",""
"7243721","14.5166","0.0008","9.3747","0.0007","24.7064","0.0017","90","","100.965","0.002","90","","3300.9","0.4","103","2","103","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Clopamide hemihydrate","4-chloro-N-(2,6-dimethylpiperidin-1-yl)-3-sulfamoylbenzamide hemihydrate","","- C28 H40 Cl2 N6 O7 S2 -","- C28 H40 Cl2 N6 O7 S2 -","- C112 H160 Cl8 N24 O28 S8 -","4","0.5","","Gál, G. Tamás; May, Nóra V.; Trif, László; Mihály, Judith; Bombicz, Petra","Solvatomorph and polymorph screening of clopamide drug and its copper(ii) complex crystals","CrystEngComm","2021","23","42","7425","7441","10.1039/D1CE00995H","","","0.71073","MoKα","","0.0508","0.0438","","","0.1063","0.1109","","","","","","1.049","","","","has coordinates,has disorder","270419","2021-11-06","19:50:01",""
"7243722","17.5326","0.0011","18.5686","0.0011","19.6507","0.0011","65.24","0.002","66.895","0.002","69.537","0.002","5210.2","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","(TeO6)Ag36(CCtBu)18(tfa)8(F5PhCO2)4","","","- C152 H162 Ag36 F44 O30 Te -","- C152 H162 Ag36 F44 O30 Te -","- C152 H162 Ag36 F44 O30 Te -","1","0.5","","Hou, Lin-Lin; Li, Hong-Jing; Yu, Dong-Nan; Cheng, Xun; Yao, Zi-Xuan; Liu, Kuan-Guan; Yan, Xiao-Wei","Mass spectrometry guided surface modification of a tellurate ion templated 36-nucleus silver alkynyl nanocluster","CrystEngComm","2021","23","41","7202","7205","10.1039/D1CE01061A","","","0.71073","MoKα","","0.0578","0.0483","","","0.1227","0.1281","","","","","","1.042","","","","has coordinates,has disorder","270415","2021-11-06","19:48:14",""
"7243723","3.8349","0.0004","8.8365","0.0007","13.2606","0.0009","88.717","0.005","89.773","0.006","78.865","0.006","440.79","0.07","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H8 Cl4 O2 -","- C24 H8 Cl4 O2 -","- C24 H8 Cl4 O2 -","1","0.5","","Liu, Ying-Hsuan; Dadvand, Afshin; Titi, Hatem M.; Hamzehpoor, Ehsan; Perepichka, Dmitrii F.","Halogen bonding vs. π-stacking interactions in new bis(acenaphthylene)dione semiconductors","CrystEngComm","2021","23","47","8255","8259","10.1039/D1CE01047F","","","1.54184","CuKα","","0.035","0.0331","","","0.0975","0.1011","","","","","","1.021","","","","has coordinates","271832","2022-01-06","21:13:28",""
"7243724","3.8029","0.0003","13.8237","0.001","14.1694","0.001","90","","94.395","0.005","90","","742.7","0.1","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(E)-2H,2'H-[1,1'-biacenaphthylenylidene]-2,2'-dione","","- C24 H12 O2 -","- C24 H12 O2 -","- C48 H24 O4 -","2","0.5","","Liu, Ying-Hsuan; Dadvand, Afshin; Titi, Hatem M.; Hamzehpoor, Ehsan; Perepichka, Dmitrii F.","Halogen bonding vs. π-stacking interactions in new bis(acenaphthylene)dione semiconductors","CrystEngComm","2021","23","47","8255","8259","10.1039/D1CE01047F","","","1.54178","CuKα","","0.075","0.0519","","","0.119","0.1407","","","","","","1.045","","","","has coordinates","271832","2022-01-06","21:13:28",""
"7243725","31.7745","0.0016","3.8742","0.0002","15.4074","0.001","90","","90","","90","","1896.66","0.18","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C24 H8 Br4 O2 -","- C24 H8 Br4 O2 -","- C96 H32 Br16 O8 -","4","1","","Liu, Ying-Hsuan; Dadvand, Afshin; Titi, Hatem M.; Hamzehpoor, Ehsan; Perepichka, Dmitrii F.","Halogen bonding vs. π-stacking interactions in new bis(acenaphthylene)dione semiconductors","CrystEngComm","2021","23","47","8255","8259","10.1039/D1CE01047F","","","1.54178","CuKα","","0.0805","0.0582","","","0.1448","0.1648","","","","","","1.07","","","","has coordinates","271832","2022-01-06","21:13:28",""
"7243729","28.727","0.002","28.727","0.002","14.5895","0.0019","90","","90","","90","","12040","2","293","","293","","","","","","","","","4","I 41/a m d :2","-I 4bd 2","141","","","","- C23 H14 Cu2 O12 -","- C23 H14 Cu2 O12 -","- C184 H112 Cu16 O96 -","8","0.25","","Yan, Yang-Tian; Wang, Chen-Yang; Zheng, Li-Na; Wu, Yun-long; Liu, Jiao; Wu, Wei-Ping; Zhang, Wen-Yan; Wang, Yao-Yu","A new multi-functional Cu(ii)-organic framework as a platform for selective carbon dioxide chemical fixation and separation of organic dyes","CrystEngComm","2021","23","47","8315","8322","10.1039/D1CE01274F","","","0.71073","MoKα","","0.1108","0.0737","","","0.228","0.2673","","","","","","1.099","","","","has coordinates,has disorder","271829","2022-01-06","21:12:55",""
"7243730","9.965","0.005","10.598","0.005","12.54","0.006","94.375","0.008","108.088","0.007","94.539","0.008","1247.8","1","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C50 H46 Cd3 N8 O17 -","- C50 H46 Cd3 N8 O17 -","- C50 H46 Cd3 N8 O17 -","1","0.5","","Zhou, Shanhe; Lu, Lu; Liu, Dong; Wang, Jun; Sakiyama, Hiroshi; Muddassir, Mohd.; Nezamzadeh-Ejhieh, Alireza; Liu, Jianqiang","Series of highly stable Cd(ii)-based MOFs as sensitive and selective sensors for detection of nitrofuran antibiotic","CrystEngComm","2021","23","46","8043","8052","10.1039/D1CE01264A","","","0.71073","MoKα","","0.0901","0.0617","","","0.1479","0.1652","","","","","","0.969","","","","has coordinates,has disorder","271170","2021-12-07","03:06:22",""
"7243731","10.256","0.002","12.989","0.003","14.013","0.003","63.783","0.004","81.4","0.003","82.923","0.004","1652.4","0.6","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H23 Cd N5 O8 -","- C33 H23 Cd N5 O8 -","- C66 H46 Cd2 N10 O16 -","2","1","","Zhou, Shanhe; Lu, Lu; Liu, Dong; Wang, Jun; Sakiyama, Hiroshi; Muddassir, Mohd.; Nezamzadeh-Ejhieh, Alireza; Liu, Jianqiang","Series of highly stable Cd(ii)-based MOFs as sensitive and selective sensors for detection of nitrofuran antibiotic","CrystEngComm","2021","23","46","8043","8052","10.1039/D1CE01264A","","","0.71073","MoKα","","0.0854","0.0507","","","0.1091","0.1444","","","","","","0.986","","","","has coordinates","271170","2021-12-07","03:06:25",""
"7243732","10.0981","0.0007","11.7986","0.0007","12.4956","0.0006","86.098","0.004","76.446","0.005","72.064","0.005","1376.95","0.15","250.01","0.1","250.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C62 H42 Cd3 N12 O14 -","- C62 H42 Cd3 N12 O14 -","- C62 H42 Cd3 N12 O14 -","1","0.5","","Zhou, Shanhe; Lu, Lu; Liu, Dong; Wang, Jun; Sakiyama, Hiroshi; Muddassir, Mohd.; Nezamzadeh-Ejhieh, Alireza; Liu, Jianqiang","Series of highly stable Cd(ii)-based MOFs as sensitive and selective sensors for detection of nitrofuran antibiotic","CrystEngComm","2021","23","46","8043","8052","10.1039/D1CE01264A","","x-ray","1.54184","CuKα","","0.0537","0.0448","","","0.1211","0.1289","","","","","","1.042","","","","has coordinates","271170","2021-12-07","03:06:35",""
"7243733","10.081","0.004","10.549","0.004","12.362","0.006","91.1","0.006","107.393","0.008","99.635","0.006","1233.5","0.9","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C54 H38 Cd3 N8 O16 -","- C54 H38 Cd3 N8 O16 -","- C54 H38 Cd3 N8 O16 -","1","0.5","","Zhou, Shanhe; Lu, Lu; Liu, Dong; Wang, Jun; Sakiyama, Hiroshi; Muddassir, Mohd.; Nezamzadeh-Ejhieh, Alireza; Liu, Jianqiang","Series of highly stable Cd(ii)-based MOFs as sensitive and selective sensors for detection of nitrofuran antibiotic","CrystEngComm","2021","23","46","8043","8052","10.1039/D1CE01264A","","","0.71073","MoKα","","0.1163","0.0841","","","0.1905","0.2097","","","","","","1.101","","","","has coordinates","271170","2021-12-07","03:06:37",""
"7243734","7.0314","0.0003","10.5042","0.0004","10.5476","0.0004","61.155","0.001","87.596","0.002","71.433","0.001","640.99","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H24 N12 O8 Pb2 S2 -","- C16 H24 N12 O8 Pb2 S2 -","- C16 H24 N12 O8 Pb2 S2 -","1","0.5","","García-Santos, Isabel; Castiñeiras, Alfonso; Mahmoudi, Ghodrat; Babashkina, Maria G.; Zangrando, Ennio; Gomila, Rosa M.; Frontera, Antonio; Safin, Damir A.","Lead(ii) supramolecular structures formed through a cooperative influence of the hydrazinecarbothioamide derived and ancillary ligands","CrystEngComm","2022","24","2","368","378","10.1039/D1CE01251G","","","0.71073","MoKα","","0.0178","0.0161","","","0.0375","0.0381","","","","","","1.062","","","","has coordinates,has disorder","272624","2022-02-04","19:23:34",""
"7243735","7.1834","0.0008","7.7618","0.0008","10.873","0.0012","89.66","0.004","76.812","0.004","71.301","0.003","557.61","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H14 N14 O6 Pb2 S2 -","- C12 H14 N14 O6 Pb2 S2 -","- C12 H14 N14 O6 Pb2 S2 -","1","0.5","","García-Santos, Isabel; Castiñeiras, Alfonso; Mahmoudi, Ghodrat; Babashkina, Maria G.; Zangrando, Ennio; Gomila, Rosa M.; Frontera, Antonio; Safin, Damir A.","Lead(ii) supramolecular structures formed through a cooperative influence of the hydrazinecarbothioamide derived and ancillary ligands","CrystEngComm","2022","24","2","368","378","10.1039/D1CE01251G","","","0.71073","MoKα","","0.0172","0.0144","","","0.028","0.0289","","","","","","1.099","","","","has coordinates","272624","2022-02-04","19:23:34",""
"7243736","20.419","0.001","10.2159","0.0006","12.8155","0.0007","90","","99.731","0.002","90","","2634.8","0.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 N12 O Pb2 S4 -","- C18 H22 N12 O Pb2 S4 -","- C72 H88 N48 O4 Pb8 S16 -","4","0.5","","García-Santos, Isabel; Castiñeiras, Alfonso; Mahmoudi, Ghodrat; Babashkina, Maria G.; Zangrando, Ennio; Gomila, Rosa M.; Frontera, Antonio; Safin, Damir A.","Lead(ii) supramolecular structures formed through a cooperative influence of the hydrazinecarbothioamide derived and ancillary ligands","CrystEngComm","2022","24","2","368","378","10.1039/D1CE01251G","","","0.71073","MoKα","","0.0248","0.0186","","","0.034","0.0353","","","","","","1.057","","","","has coordinates","272624","2022-02-04","19:23:34",""
"7243737","20.5481","0.0007","10.7642","0.0003","12.7256","0.0004","90","","97.74","0.001","90","","2789.05","0.15","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H26 N12 O8 Pb2 S2 -","- C17 H26 N12 O8 Pb2 S2 -","- C68 H104 N48 O32 Pb8 S8 -","4","0.5","","García-Santos, Isabel; Castiñeiras, Alfonso; Mahmoudi, Ghodrat; Babashkina, Maria G.; Zangrando, Ennio; Gomila, Rosa M.; Frontera, Antonio; Safin, Damir A.","Lead(ii) supramolecular structures formed through a cooperative influence of the hydrazinecarbothioamide derived and ancillary ligands","CrystEngComm","2022","24","2","368","378","10.1039/D1CE01251G","","","0.71073","MoKα","","0.0212","0.0173","","","0.0366","0.0376","","","","","","1.064","","","","has coordinates,has disorder","272624","2022-02-04","19:23:34",""
"7243741","9.702","0.005","10.763","0.005","11.435","0.005","75.894","0.006","84.943","0.007","69.928","0.008","1087.7","0.9","296","2","296","2","","","","","","","","5","P 1","P 1","1","","JLNU-91","","- C42 H43 Ag3 N6 O8 -","- C40 H31 Ag3 N6 O4 -","- C40 H31 Ag3 N6 O4 -","1","1","","Liu, Bo; Lv, Mengying; Jiang, Wei; Gao, Baihui; Li, Yuxin; Zhou, Shi; Wang, Dandan; Liu, Chunbo; Che, Guangbo","Self-photoreduced Ag0-doped Ag(i)–organic frameworks with efficient visible-light-driven photocatalytic performance","CrystEngComm","2021","23","42","7496","7501","10.1039/D1CE01133B","","","0.71073","MoKα","","0.0457","0.0421","","","0.1194","0.1225","","","","","","1.067","","","","has coordinates","270421","2021-11-06","19:50:19",""
"7243745","9.5767","0.0013","11.1881","0.0015","12.2524","0.0017","83.416","0.003","68.138","0.002","73.915","0.002","1170.6","0.3","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","Compound 3","","- C26 H28 Co2 Mo8 N8 O35 -","- C26 H28 Co2 Mo8 N8 O35 -","- C26 H28 Co2 Mo8 N8 O35 -","1","0.5","","Ying, Jun; Jin, Liang; Yu, Hai-Yan; Tian, Ai-Xiang; Wang, Xiu-Li","A series of polyoxometalate-based hybrid complexes constructed by a tripodal ligand containing mixed N/O donors","CrystEngComm","2021","23","44","7846","7854","10.1039/D1CE01195B","","","0.71073","MoKα","","0.0461","0.0363","","","0.0978","0.1035","","","","","","1.086","","","","has coordinates,has disorder","271153","2021-12-07","02:50:59",""
"7243746","9.589","0.004","11.22","0.004","12.27","0.005","83.409","0.008","68.107","0.007","73.943","0.007","1177","0.8","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C13 H13 Fe Mo4 N4 O17 -","- C13 H13 Fe Mo4 N4 O17 -","- C26 H26 Fe2 Mo8 N8 O34 -","2","1","","Ying, Jun; Jin, Liang; Yu, Hai-Yan; Tian, Ai-Xiang; Wang, Xiu-Li","A series of polyoxometalate-based hybrid complexes constructed by a tripodal ligand containing mixed N/O donors","CrystEngComm","2021","23","44","7846","7854","10.1039/D1CE01195B","","","0.71073","MoKα","","0.1061","0.0734","","","0.189","0.2142","","","","","","1.007","","","","has coordinates","271153","2021-12-07","02:50:59",""
"7243747","9.593","0.002","11.205","0.002","12.283","0.003","83.427","0.004","68.122","0.004","73.812","0.004","1176.5","0.4","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H30 Cu2 Mo8 N8 O35 -","- C26 H30 Cu2 Mo8 N8 O35 -","- C26 H30 Cu2 Mo8 N8 O35 -","1","0.5","","Ying, Jun; Jin, Liang; Yu, Hai-Yan; Tian, Ai-Xiang; Wang, Xiu-Li","A series of polyoxometalate-based hybrid complexes constructed by a tripodal ligand containing mixed N/O donors","CrystEngComm","2021","23","44","7846","7854","10.1039/D1CE01195B","","","0.71073","MoKα","","0.0621","0.0429","","","0.1008","0.1107","","","","","","0.997","","","","has coordinates","271153","2021-12-07","02:50:59",""
"7243748","9.6183","0.0003","11.1742","0.0004","12.2597","0.0004","83.415","0.001","68.179","0.001","73.86","0.001","1174.92","0.07","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C13 H12 Mo4 N4 O17 Zn -","- C13 H12 Mo4 N4 O17 Zn -","- C26 H24 Mo8 N8 O34 Zn2 -","2","1","","Ying, Jun; Jin, Liang; Yu, Hai-Yan; Tian, Ai-Xiang; Wang, Xiu-Li","A series of polyoxometalate-based hybrid complexes constructed by a tripodal ligand containing mixed N/O donors","CrystEngComm","2021","23","44","7846","7854","10.1039/D1CE01195B","","","0.71073","MoKα","","0.0334","0.0257","","","0.056","0.0587","","","","","","1.049","","","","has coordinates","271153","2021-12-07","02:50:59",""
"7243749","9.5458","0.0005","11.1569","0.0006","12.2071","0.0007","83.619","0.001","68.162","0.001","74.084","0.001","1160.46","0.11","273.15","","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C13 H13 Mo4 N4 Ni O17 -","- C13 H13 Mo4 N4 Ni O17 -","- C26 H26 Mo8 N8 Ni2 O34 -","2","1","","Ying, Jun; Jin, Liang; Yu, Hai-Yan; Tian, Ai-Xiang; Wang, Xiu-Li","A series of polyoxometalate-based hybrid complexes constructed by a tripodal ligand containing mixed N/O donors","CrystEngComm","2021","23","44","7846","7854","10.1039/D1CE01195B","","","0.71073","MoKα","","0.027","0.0219","","","0.052","0.0541","","","","","","1.032","","","","has coordinates","271153","2021-12-07","02:50:59",""
"7243750","13.2622","0.0008","13.533","0.0008","16.2984","0.001","87.28","0.001","74.467","0.001","88.037","0.001","2814.5","0.3","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C26 H24 Cd Mo12 N8 O46 P -","- C26 H24 Cd Mo12 N8 O46 P -","- C52 H48 Cd2 Mo24 N16 O92 P2 -","2","1","","Ying, Jun; Jin, Liang; Yu, Hai-Yan; Tian, Ai-Xiang; Wang, Xiu-Li","A series of polyoxometalate-based hybrid complexes constructed by a tripodal ligand containing mixed N/O donors","CrystEngComm","2021","23","44","7846","7854","10.1039/D1CE01195B","","","0.71073","MoKα","","0.0735","0.043","","","0.0871","0.0999","","","","","","1.018","","","","has coordinates","271153","2021-12-07","02:50:59",""
"7243751","9.3815","0.0008","12.1909","0.001","14.0591","0.0011","92.007","0.006","101.5","0.007","101.086","0.007","1541.7","0.2","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H14 La N2.3 O10.9 -","- C26 H14 La N2.3 O10.9 -","- C52 H28 La2 N4.6 O21.8 -","2","1","","Liu, Jian-Jun; Fu, Jia-Jia; Li, Gui-Jun; Liu, Teng; Xia, Shu-Biao; Cheng, Fei-Xiang","A water-stable photochromic MOF with controllable iodine sorption and efficient removal of dichromate","CrystEngComm","2021","23","43","7628","7634","10.1039/D1CE00935D","","","0.71073","MoKα","","0.0599","0.0507","","","0.1274","0.1306","","","","","","1.112","","","","has coordinates","271161","2021-12-07","02:55:00",""
"7243752","5.7835","0.0005","16.051","0.0015","21.5072","0.0017","90","","94.365","0.002","90","","1990.7","0.3","150.01","","150.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H48 Cu N6 O8 -","- C40 H48 Cu N6 O8 -","- C80 H96 Cu2 N12 O16 -","2","0.5","","Dezotti, Yuri; Barrionuevo, Manoel Victor Frutuoso; Silva, Ingrid Fernandes; Ribeiro, Marcos Antônio; Añez, Rafael; Stumpf, Humberto Osório; San-Miguel, Miguel Angel; Barros, Wdeson Pereira","Experimental and theoretical studies of a pyridylvinyl(benzoate) based coordination polymer structure","CrystEngComm","2021","23","46","8139","8149","10.1039/D1CE01290H","","","0.71073","MoKα","","0.0622","0.0439","","","0.1163","0.1254","","","","","","1.054","","","","has coordinates","271179","2021-12-07","03:09:14",""
"7243753","15.728","0.0004","13.5055","0.0002","24.0316","0.0006","90","","108.218","0.003","90","","4848.8","0.2","104.9","","104.9","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C56 H44 Cu F3 N4 O3 P2 S -","- C56 H44 Cu F3 N4 O3 P2 S -","- C224 H176 Cu4 F12 N16 O12 P8 S4 -","4","1","","Li, Zi-Xi; Kuang, Xiao-Nan; Wang, Guo; Zhu, Ning; Sun, Zhen-Zhou; Han, Hong-Liang; Yang, Yu-Ping; Li, Zhong-Feng; Xin, Xiu-Lan; Jin, Qiong-Hua; Ren, Zhi-Gang","A series of luminescent Cu(i) complexes based on the diphosphine ligand and diimine ligand: weak intermolecular interactions, terahertz spectroscopy and photoproperties","CrystEngComm","2021","23","47","8323","8333","10.1039/D1CE01132D","","","0.71073","MoKα","","0.0574","0.0413","","","0.0887","0.0971","","","","","","1.021","","","","has coordinates","271833","2022-01-06","21:13:46",""
"7243754","14.5279","0.0003","19.7802","0.0004","16.4881","0.0003","90","","93.0114","0.0016","90","","4731.56","0.16","105.2","","105.2","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C55.27 H45.07 B Cu F4 N4 O0.27 P2 -","- C55.268 H45.072 B Cu F4 N4 O0.268 P2 -","- C221.072 H180.288 B4 Cu4 F16 N16 O1.072 P8 -","4","1","","Li, Zi-Xi; Kuang, Xiao-Nan; Wang, Guo; Zhu, Ning; Sun, Zhen-Zhou; Han, Hong-Liang; Yang, Yu-Ping; Li, Zhong-Feng; Xin, Xiu-Lan; Jin, Qiong-Hua; Ren, Zhi-Gang","A series of luminescent Cu(i) complexes based on the diphosphine ligand and diimine ligand: weak intermolecular interactions, terahertz spectroscopy and photoproperties","CrystEngComm","2021","23","47","8323","8333","10.1039/D1CE01132D","","","0.71073","MoKα","","0.0459","0.0339","","","0.0717","0.0776","","","","","","1.046","","","","has coordinates,has disorder","271833","2022-01-06","21:13:46",""
"7243755","16.0954","0.0006","13.4388","0.0004","23.1216","0.0009","90","","107.221","0.004","90","","4777.1","0.3","173","0.1","173","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C55 H44 Cl Cu N4 O4 P2 -","- C55 H43 Cl Cu N4 O4 P2 -","- C220 H172 Cl4 Cu4 N16 O16 P8 -","4","1","","Li, Zi-Xi; Kuang, Xiao-Nan; Wang, Guo; Zhu, Ning; Sun, Zhen-Zhou; Han, Hong-Liang; Yang, Yu-Ping; Li, Zhong-Feng; Xin, Xiu-Lan; Jin, Qiong-Hua; Ren, Zhi-Gang","A series of luminescent Cu(i) complexes based on the diphosphine ligand and diimine ligand: weak intermolecular interactions, terahertz spectroscopy and photoproperties","CrystEngComm","2021","23","47","8323","8333","10.1039/D1CE01132D","","x-ray","1.54184","CuKα","","0.0781","0.0727","","","0.2205","0.2279","","","","","","1.097","","","","has coordinates","271833","2022-01-06","21:13:46",""
"7243756","11.9044","0.0001","19.1935","0.0002","21.5471","0.0003","90","","105.907","0.001","90","","4734.71","0.09","99.99","0.1","99.99","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C57 H52 Br Cu N4 O2 P2 -","- C57 H52 Br Cu N4 O2 P2 -","- C228 H208 Br4 Cu4 N16 O8 P8 -","4","1","","Li, Zi-Xi; Kuang, Xiao-Nan; Wang, Guo; Zhu, Ning; Sun, Zhen-Zhou; Han, Hong-Liang; Yang, Yu-Ping; Li, Zhong-Feng; Xin, Xiu-Lan; Jin, Qiong-Hua; Ren, Zhi-Gang","A series of luminescent Cu(i) complexes based on the diphosphine ligand and diimine ligand: weak intermolecular interactions, terahertz spectroscopy and photoproperties","CrystEngComm","2021","23","47","8323","8333","10.1039/D1CE01132D","","x-ray","1.54184","CuKα","","0.0484","0.0471","","","0.1249","0.1259","","","","","","1.028","","","","has coordinates","271833","2022-01-06","21:13:46",""
"7243757","14.3536","0.0001","20.0276","0.0002","16.8454","0.0002","90","","94.109","0.001","90","","4830.07","0.08","132.99","0.1","132.99","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H48 Cu I N4 O P2 -","- C56 H48 Cu I N4 O P2 -","- C224 H192 Cu4 I4 N16 O4 P8 -","4","1","","Li, Zi-Xi; Kuang, Xiao-Nan; Wang, Guo; Zhu, Ning; Sun, Zhen-Zhou; Han, Hong-Liang; Yang, Yu-Ping; Li, Zhong-Feng; Xin, Xiu-Lan; Jin, Qiong-Hua; Ren, Zhi-Gang","A series of luminescent Cu(i) complexes based on the diphosphine ligand and diimine ligand: weak intermolecular interactions, terahertz spectroscopy and photoproperties","CrystEngComm","2021","23","47","8323","8333","10.1039/D1CE01132D","","x-ray","1.54184","CuKα","","0.0369","0.0357","","","0.0914","0.0921","","","","","","1.052","","","","has coordinates","271833","2022-01-06","21:13:46",""
"7243758","8.9053","0.0018","12.585","0.003","17.847","0.004","90","","90.73","0.03","90","","2000","0.8","153","2","153.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 N14 O16 -","- C8 H12 N14 O16 -","- C32 H48 N56 O64 -","4","1","","Zhang, Wenjin; Bao, Lingxiang; Fei, Teng; Lv, Penghao; Sun, Chenghui; Pang, Siping","Taming CL-20 through hydrogen bond interaction with nitromethane","CrystEngComm","2021","23","46","8099","8103","10.1039/D1CE01275D","","","0.71073","MoKα","","0.0564","0.0458","","","0.1482","0.1848","","","","","","1.187","","","","has coordinates,has disorder","271174","2021-12-07","03:07:57",""
"7243759","8.79899","0.00006","12.17385","0.00009","15.22942","0.00012","90","","90","","90","","1631.34","0.02","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 N O3 S -","- C18 H15 N O3 S -","- C72 H60 N4 O12 S4 -","4","1","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals","CrystEngComm","2021","23","44","7760","7770","10.1039/D1CE00897H","","","1.54187","CuKα","","0.0293","0.0292","","","0.0744","0.0745","","","","","","1.089","","","","has coordinates","271160","2021-12-07","02:54:36",""
"7243760","14.8313","0.0005","16.0368","0.0007","20.2334","0.0007","90","","91.974","0.003","90","","4809.6","0.3","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H46 N6 O6 S2 -","- C56 H46 N6 O6 S2 -","- C224 H184 N24 O24 S8 -","4","1","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals","CrystEngComm","2021","23","44","7760","7770","10.1039/D1CE00897H","","","0.71073","MoKα","","0.1054","0.057","","","0.119","0.1376","","","","","","1.022","","","","has coordinates","271160","2021-12-07","02:54:36",""
"7243761","8.4505","0.0004","13.524","0.0006","13.0184","0.0006","90","","100.599","0.005","90","","1462.42","0.12","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 Cl N O4 S -","- C14 H14 Cl N O4 S -","- C56 H56 Cl4 N4 O16 S4 -","4","1","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals","CrystEngComm","2021","23","44","7760","7770","10.1039/D1CE00897H","","","0.71073","MoKα","","0.062","0.0418","","","0.09","0.0969","","","","","","1.036","","","","has coordinates","271160","2021-12-07","02:54:36",""
"7243762","8.4205","0.0005","9.8122","0.0005","11.2928","0.0006","93.998","0.004","101.829","0.005","108.5","0.005","856.87","0.09","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C17 H13 Br Cl N2 O2 S -","- C17 H13 Br Cl N2 O2 S -","- C34 H26 Br2 Cl2 N4 O4 S2 -","2","1","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals","CrystEngComm","2021","23","44","7760","7770","10.1039/D1CE00897H","","","0.71073","MoKα","","0.0484","0.033","","","0.0673","0.0715","","","","","","1.067","","","","has coordinates","271160","2021-12-07","02:54:36",""
"7243763","31.8179","0.0011","8.1924","0.0003","17.861","0.0006","90","","103.002","0.003","90","","4536.4","0.3","93","","93","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H23 N3 O3 S -","- C24 H23 N3 O3 S -","- C192 H184 N24 O24 S8 -","8","1","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals","CrystEngComm","2021","23","44","7760","7770","10.1039/D1CE00897H","","","0.71073","MoKα","","0.0468","0.0421","","","0.1102","0.1135","","","","","","1.058","","","","has coordinates","271160","2021-12-07","02:54:36",""
"7243764","10.2247","0.0006","13.3486","0.0006","15.0139","0.0013","90","","98.168","0.007","90","","2028.4","0.2","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 F N3 O2 S -","- C23 H20 F N3 O2 S -","- C92 H80 F4 N12 O8 S4 -","4","1","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals","CrystEngComm","2021","23","44","7760","7770","10.1039/D1CE00897H","","","0.71073","MoKα","","0.1268","0.0632","","","0.1393","0.162","","","","","","1.03","","","","has coordinates","271160","2021-12-07","02:54:36",""
"7243765","9.0097","0.0005","12.3524","0.0007","12.9152","0.0007","82.341","0.005","84.612","0.005","84.72","0.005","1413.62","0.14","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H17 N O2 S -","- C15 H17 N O2 S -","- C60 H68 N4 O8 S4 -","4","2","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals","CrystEngComm","2021","23","44","7760","7770","10.1039/D1CE00897H","","","0.71073","MoKα","","0.153","0.0774","","","0.1845","0.2176","","","","","","1.016","","","","has coordinates","271160","2021-12-07","02:54:37",""
"7243766","12.6908","0.0004","11.0757","0.0003","15.7411","0.0005","90","","91.683","0.003","90","","2211.61","0.12","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 N3 O2 S -","- C25 H24 N3 O2 S -","- C100 H96 N12 O8 S4 -","4","1","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals","CrystEngComm","2021","23","44","7760","7770","10.1039/D1CE00897H","","","0.71073","MoKα","","0.0607","0.0518","","","0.1177","0.1219","","","","","","1.119","","","","has coordinates,has disorder","271160","2021-12-07","02:54:37",""
"7243767","8.3499","0.0005","11.4704","0.0004","13.571","0.0006","101.723","0.004","95.458","0.004","110.537","0.004","1172","0.11","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H27 N3 O4 S -","- C26 H27 N3 O4 S -","- C52 H54 N6 O8 S2 -","2","1","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals","CrystEngComm","2021","23","44","7760","7770","10.1039/D1CE00897H","","","0.71073","MoKα","","0.0849","0.0536","","","0.125","0.137","","","","","","1.035","","","","has coordinates","271160","2021-12-07","02:54:37",""
"7243768","9.175","0.0005","5.9502","0.0003","22.5","0.0013","90","","95.764","0.005","90","","1222.13","0.12","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 F N O2 S -","- C13 H12 F N O2 S -","- C52 H48 F4 N4 O8 S4 -","4","1","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals","CrystEngComm","2021","23","44","7760","7770","10.1039/D1CE00897H","","","0.71073","MoKα","","0.0697","0.051","","","0.1306","0.144","","","","","","1.073","","","","has coordinates,has disorder","271160","2021-12-07","02:54:37",""
"7243769","11.5492","0.0005","7.5883","0.0004","31.0045","0.0014","90","","90","","90","","2717.2","0.2","93","","93","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H12 F N O2 S -","- C16 H12 F N O2 S -","- C128 H96 F8 N8 O16 S8 -","8","1","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals","CrystEngComm","2021","23","44","7760","7770","10.1039/D1CE00897H","","","0.71073","MoKα","","0.0557","0.0385","","","0.0853","0.0907","","","","","","1.029","","","","has coordinates","271160","2021-12-07","02:54:37",""
"7243770","11.7276","0.0004","14.3853","0.0004","16.9385","0.0005","99.089","0.002","98.944","0.002","110.799","0.003","2567.63","0.15","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H42 Br4 N8 O4 S2 -","- C54 H42 Br4 N8 O4 S2 -","- C108 H84 Br8 N16 O8 S4 -","2","1","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals","CrystEngComm","2021","23","44","7760","7770","10.1039/D1CE00897H","","","0.71073","MoKα","","0.0716","0.041","","","0.071","0.0779","","","","","","1.022","","","","has coordinates","271160","2021-12-07","02:54:37",""
"7243771","9.958","0.0004","21.7896","0.001","6.0999","0.0003","90","","90","","90","","1323.56","0.1","93","","93","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C12 H9 Br2 N O2 S -","- C12 H9 Br2 N O2 S -","- C48 H36 Br8 N4 O8 S4 -","4","1","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals","CrystEngComm","2021","23","44","7760","7770","10.1039/D1CE00897H","","","0.71073","MoKα","","0.0302","0.0259","","","0.0525","0.0541","","","","","","1.086","","","","has coordinates","271160","2021-12-07","02:54:37",""
"7243772","5.0813","0.0004","20.4639","0.0013","12.2504","0.0009","90","","90.757","0.006","90","","1273.72","0.16","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H10 F3 N O2 S -","- C13 H10 F3 N O2 S -","- C52 H40 F12 N4 O8 S4 -","4","1","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals","CrystEngComm","2021","23","44","7760","7770","10.1039/D1CE00897H","","","0.71073","MoKα","","0.0766","0.0676","","","0.1769","0.1812","","","","","","1.092","","","","has coordinates","271160","2021-12-07","02:54:37",""
"7243773","10.0096","0.0003","12.4631","0.0006","17.7972","0.0007","80.489","0.004","73.938","0.003","87.66","0.003","2104.19","0.15","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H22 F N3 O2 S -","- C24 H22 F N3 O2 S -","- C96 H88 F4 N12 O8 S4 -","4","2","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals","CrystEngComm","2021","23","44","7760","7770","10.1039/D1CE00897H","","","0.71073","MoKα","","0.115","0.0951","","","0.2732","0.2847","","","","","","1.052","","","","has coordinates","271160","2021-12-07","02:54:37",""
"7243774","8.56656","0.00014","11.3193","0.00019","12.12655","0.00019","85.376","0.0013","87.7729","0.0013","80.6487","0.0014","1156.08","0.03","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H19 Cl4 N2 O4 S -","- C20 H19 Cl4 N2 O4 S -","- C40 H38 Cl8 N4 O8 S2 -","2","1","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals","CrystEngComm","2021","23","44","7760","7770","10.1039/D1CE00897H","","","0.71073","MoKα","","0.0423","0.037","","","0.0967","0.1","","","","","","1.046","","","","has coordinates","271160","2021-12-07","02:54:37",""
"7243775","8.24874","0.00018","9.01497","0.00018","29.484","0.0006","82.9508","0.0016","83.6918","0.0018","76.4332","0.0018","2107.72","0.08","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H18 F3 N3 O2 S -","- C23 H18 F3 N3 O2 S -","- C92 H72 F12 N12 O8 S4 -","4","2","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals","CrystEngComm","2021","23","44","7760","7770","10.1039/D1CE00897H","","","0.71073","MoKα","","0.0604","0.0484","","","0.1213","0.1257","","","","","","1.104","","","","has coordinates,has disorder","271160","2021-12-07","02:54:37",""
"7243776","15.703","0.0005","30.2596","0.0008","17.0294","0.0006","90","","111.871","0.004","90","","7509.4","0.5","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C88 H68 F3 N11 O6 S3 -","- C88 H68 F3 N11 O6 S3 -","- C352 H272 F12 N44 O24 S12 -","4","1","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals","CrystEngComm","2021","23","44","7760","7770","10.1039/D1CE00897H","","","0.71073","MoKα","","0.0905","0.0538","","","0.1226","0.1367","","","","","","1.065","","","","has coordinates,has disorder","271160","2021-12-07","02:54:37",""
"7243777","8.123","0.008","20.61","0.02","18.053","0.017","90","","99.8","0.03","90","","2978","5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H94 Cl2 N8 O6 -","- C52 H94 Cl2 N8 O6 -","- C104 H188 Cl4 N16 O12 -","2","0.5","","Basak, Megha; Das, Asesh; Das, Gopal","Exploring cyclohexane/piperazine-urea motifs for spherical halide (X = Cl−/Br−) recognition: effects on anion coordination, photoluminescence, and morphological tunability","CrystEngComm","2021","23","44","7771","7780","10.1039/D1CE01090E","","","0.71073","MoKα","","0.1124","0.0679","","","0.1923","0.2326","","","","","","1.024","","","","has coordinates","271156","2021-12-07","02:52:12",""
"7243778","21.998","0.002","8.4985","0.0005","19.2091","0.0015","90","","99.496","0.007","90","","3541.9","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H102 Cl2 F12 N8 O2 -","- C60 H102 Cl2 F12 N8 O2 -","- C120 H204 Cl4 F24 N16 O4 -","2","0.5","","Basak, Megha; Das, Asesh; Das, Gopal","Exploring cyclohexane/piperazine-urea motifs for spherical halide (X = Cl−/Br−) recognition: effects on anion coordination, photoluminescence, and morphological tunability","CrystEngComm","2021","23","44","7771","7780","10.1039/D1CE01090E","","","0.71073","MoKα","","0.2107","0.0809","","","0.1395","0.1949","","","","","","0.984","","","","has coordinates,has disorder","271156","2021-12-07","02:52:15",""
"7243779","12.8556","0.0012","13.8433","0.0013","8.8264","0.0011","90","","99.395","0.009","90","","1549.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 F12 N6 O2 -","- C28 H30 F12 N6 O2 -","- C56 H60 F24 N12 O4 -","2","0.5","","Basak, Megha; Das, Asesh; Das, Gopal","Exploring cyclohexane/piperazine-urea motifs for spherical halide (X = Cl−/Br−) recognition: effects on anion coordination, photoluminescence, and morphological tunability","CrystEngComm","2021","23","44","7771","7780","10.1039/D1CE01090E","","","0.71073","MoKα","","0.1976","0.0804","","","0.1794","0.2657","","","","","","0.981","","","","has coordinates","271156","2021-12-07","02:52:25",""
"7243780","21.98","0.002","8.6346","0.001","19.393","0.0018","90","","99.074","0.003","90","","3634.5","0.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H102 Br2 F12 N8 O2 -","- C60 H102 Br2 F12 N8 O2 -","- C120 H204 Br4 F24 N16 O4 -","2","0.5","","Basak, Megha; Das, Asesh; Das, Gopal","Exploring cyclohexane/piperazine-urea motifs for spherical halide (X = Cl−/Br−) recognition: effects on anion coordination, photoluminescence, and morphological tunability","CrystEngComm","2021","23","44","7771","7780","10.1039/D1CE01090E","","","0.71073","MoKα","","0.1752","0.0687","","","0.1545","0.2061","","","","","","0.997","","","","has coordinates,has disorder","271156","2021-12-07","02:52:29",""
"7243781","8.2545","0.0015","20.43","0.004","18.277","0.003","90","","100.194","0.006","90","","3033.6","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H94 Br2 N8 O6 -","- C52 H94 Br2 N8 O6 -","- C104 H188 Br4 N16 O12 -","2","0.5","","Basak, Megha; Das, Asesh; Das, Gopal","Exploring cyclohexane/piperazine-urea motifs for spherical halide (X = Cl−/Br−) recognition: effects on anion coordination, photoluminescence, and morphological tunability","CrystEngComm","2021","23","44","7771","7780","10.1039/D1CE01090E","","","0.71073","MoKα","","0.1009","0.0511","","","0.1407","0.1721","","","","","","0.981","","","","has coordinates","271156","2021-12-07","02:52:41",""
"7243803","11.0626","0.0005","13.5522","0.0006","11.9227","0.0005","90","","94.194","0.002","90","","1782.7","0.14","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H28 Bi2 N10 O14 -","- C32 H28 Bi2 N10 O14 -","- C64 H56 Bi4 N20 O28 -","2","0.5","","Adcock, Alyssa K.; Marwitz, Alexander C.; Sanz, Lulio A.; Lee Ayscue, R.; Bertke, Jeffery A.; Knope, Karah E.","Synthesis, structural characterization, and luminescence properties of heteroleptic bismuth-organic compounds","CrystEngComm","2021","23","46","8183","8197","10.1039/D1CE01242H","","","0.71073","MoKα","","0.0506","0.0277","","","0.0417","0.0461","","","","","","1.021","","","","has coordinates","271171","2021-12-07","03:06:58",""
"7243804","36.9899","0.0017","9.7296","0.0004","18.0256","0.0008","90","","90.543","0.002","90","","6487.1","0.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C31 H19 Bi F6 N4 O7 S2 -","- C31 H19 Bi F6 N4 O7 S2 -","- C248 H152 Bi8 F48 N32 O56 S16 -","8","1","","Adcock, Alyssa K.; Marwitz, Alexander C.; Sanz, Lulio A.; Lee Ayscue, R.; Bertke, Jeffery A.; Knope, Karah E.","Synthesis, structural characterization, and luminescence properties of heteroleptic bismuth-organic compounds","CrystEngComm","2021","23","46","8183","8197","10.1039/D1CE01242H","","","0.71073","MoKα","","0.0772","0.0409","","","0.0737","0.0839","","","","","","1.024","","","","has coordinates,has disorder","271171","2021-12-07","03:07:08",""
"7243805","10.2659","0.0006","10.8192","0.0006","14.9442","0.0008","91.545","0.002","92.281","0.002","109.003","0.002","1566.73","0.15","101","2","101","2","","","","","","","","8","P -1","-P 1","2","","","","- C31 H19 Bi Br F6 N3 O4 S2 -","- C31 H19 Bi Br F6 N3 O4 S2 -","- C62 H38 Bi2 Br2 F12 N6 O8 S4 -","2","1","","Adcock, Alyssa K.; Marwitz, Alexander C.; Sanz, Lulio A.; Lee Ayscue, R.; Bertke, Jeffery A.; Knope, Karah E.","Synthesis, structural characterization, and luminescence properties of heteroleptic bismuth-organic compounds","CrystEngComm","2021","23","46","8183","8197","10.1039/D1CE01242H","","","0.71073","MoKα","","0.0157","0.0144","","","0.0334","0.0338","","","","","","1.059","","","","has coordinates,has disorder","271171","2021-12-07","03:07:11",""
"7243806","37.6364","0.0016","9.6744","0.0004","18.2345","0.0007","90","","95.909","0.001","90","","6604.1","0.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C31 H19 Eu F6 N4 O7 S2 -","- C31 H19 Eu F6 N4 O7 S2 -","- C248 H152 Eu8 F48 N32 O56 S16 -","8","1","","Adcock, Alyssa K.; Marwitz, Alexander C.; Sanz, Lulio A.; Lee Ayscue, R.; Bertke, Jeffery A.; Knope, Karah E.","Synthesis, structural characterization, and luminescence properties of heteroleptic bismuth-organic compounds","CrystEngComm","2021","23","46","8183","8197","10.1039/D1CE01242H","","","0.71073","MoKα","","0.0356","0.0275","","","0.0622","0.0652","","","","","","1.061","","","","has coordinates,has disorder","271171","2021-12-07","03:07:14",""
"7243807","10.3216","0.0005","10.7535","0.0005","14.8647","0.0007","91.665","0.002","91.689","0.002","109.018","0.002","1557.84","0.13","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C31 H19 Bi Cl F6 N3 O4 S2 -","- C31 H19 Bi Cl F6 N3 O4 S2 -","- C62 H38 Bi2 Cl2 F12 N6 O8 S4 -","2","1","","Adcock, Alyssa K.; Marwitz, Alexander C.; Sanz, Lulio A.; Lee Ayscue, R.; Bertke, Jeffery A.; Knope, Karah E.","Synthesis, structural characterization, and luminescence properties of heteroleptic bismuth-organic compounds","CrystEngComm","2021","23","46","8183","8197","10.1039/D1CE01242H","","","0.71073","MoKα","","0.0268","0.0207","","","0.0381","0.0393","","","","","","1.044","","","","has coordinates,has disorder","271171","2021-12-07","03:07:17",""
"7243808","30.2542","0.0014","8.7876","0.0004","18.6371","0.0008","90","","96.051","0.001","90","","4927.3","0.4","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C23 H15 Bi Br2 F3 N3 O2 S -","- C23 H15 Bi Br2 F3 N3 O2 S -","- C184 H120 Bi8 Br16 F24 N24 O16 S8 -","8","1","","Adcock, Alyssa K.; Marwitz, Alexander C.; Sanz, Lulio A.; Lee Ayscue, R.; Bertke, Jeffery A.; Knope, Karah E.","Synthesis, structural characterization, and luminescence properties of heteroleptic bismuth-organic compounds","CrystEngComm","2021","23","46","8183","8197","10.1039/D1CE01242H","","","0.71073","MoKα","","0.0229","0.0185","","","0.0412","0.0425","","","","","","1.128","","","","has coordinates","271171","2021-12-07","03:07:19",""
"7243811","13.2618","0.0009","8.7178","0.0006","13.2822","0.0009","90","","109.205","0.002","90","","1450.14","0.17","110","","110","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C16 H40 N14 Ni2 -","- C16 H40 N14 Ni2 -","- C32 H80 N28 Ni4 -","2","0.25","","Verma, Abhineet; Bhuvanesh, Nattamai; Reibenspies, Joseph; Tayade, Sakharam B.; Kumbhar, Avinash S.; Bretosh, Kateryna; Sutter, Jean-Pascal; Sunkari, Sailaja S.","Structurally characterised new twisted conformer for cyclen, controlled by metal ion complexation as seen in NiII and CuII complexes with halides and pseudohalides","CrystEngComm","2022","24","1","119","131","10.1039/D1CE01096D","","x-ray","0.71073","MoKα","","0.0673","0.0587","","","0.1399","0.1486","","","","","","1.115","","","","has coordinates,has disorder","272603","2022-02-04","19:18:06",""
"7243812","22.9171","0.0016","22.9171","0.0016","15.2853","0.0011","90","","90","","120","","6952.2","0.8","110","","110","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C10 H20 N6 Ni S2 -","- C10 H20 N6 Ni S2 -","- C180 H360 N108 Ni18 S36 -","18","1","","Verma, Abhineet; Bhuvanesh, Nattamai; Reibenspies, Joseph; Tayade, Sakharam B.; Kumbhar, Avinash S.; Bretosh, Kateryna; Sutter, Jean-Pascal; Sunkari, Sailaja S.","Structurally characterised new twisted conformer for cyclen, controlled by metal ion complexation as seen in NiII and CuII complexes with halides and pseudohalides","CrystEngComm","2022","24","1","119","131","10.1039/D1CE01096D","","x-ray","0.71073","MoKα","","0.0527","0.0486","","","0.1178","0.1217","","","","","","1.068","","","","has coordinates","272603","2022-02-04","19:18:06",""
"7243813","12.842","0.0006","14.8998","0.0006","16.5728","0.0007","90","","90","","90","","3171.1","0.2","110","","110","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H20 N10 Ni -","- C12 H20 N10 Ni -","- C96 H160 N80 Ni8 -","8","1","","Verma, Abhineet; Bhuvanesh, Nattamai; Reibenspies, Joseph; Tayade, Sakharam B.; Kumbhar, Avinash S.; Bretosh, Kateryna; Sutter, Jean-Pascal; Sunkari, Sailaja S.","Structurally characterised new twisted conformer for cyclen, controlled by metal ion complexation as seen in NiII and CuII complexes with halides and pseudohalides","CrystEngComm","2022","24","1","119","131","10.1039/D1CE01096D","","x-ray","0.71073","MoKα","","0.0557","0.0485","","","0.1524","0.1623","","","","","","1.079","","","","has coordinates","272603","2022-02-04","19:18:06",""
"7243814","12.8292","0.0009","13.3387","0.001","18.2848","0.0014","90","","90","","90","","3129","0.4","110","","110","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H20 Cu N6 S2 -","- C10 H20 Cu N6 S2 -","- C80 H160 Cu8 N48 S16 -","8","2","","Verma, Abhineet; Bhuvanesh, Nattamai; Reibenspies, Joseph; Tayade, Sakharam B.; Kumbhar, Avinash S.; Bretosh, Kateryna; Sutter, Jean-Pascal; Sunkari, Sailaja S.","Structurally characterised new twisted conformer for cyclen, controlled by metal ion complexation as seen in NiII and CuII complexes with halides and pseudohalides","CrystEngComm","2022","24","1","119","131","10.1039/D1CE01096D","","x-ray","0.71073","MoKα","","0.1357","0.0616","","","0.0683","0.0818","","","","","","1.007","","","","has coordinates","272603","2022-02-04","19:18:06",""
"7243815","9.5813","0.0006","9.5813","0.0006","7.5171","0.0005","90","","90","","90","","690.08","0.08","300","2","300","2","","","","","","","","5","P 4/n m m :2","-P 4a 2a","129","","","","- C8 H20 Br2 Cu N4 -","- C8 H20 Br2 Cu N4 -","- C16 H40 Br4 Cu2 N8 -","2","0.125","","Verma, Abhineet; Bhuvanesh, Nattamai; Reibenspies, Joseph; Tayade, Sakharam B.; Kumbhar, Avinash S.; Bretosh, Kateryna; Sutter, Jean-Pascal; Sunkari, Sailaja S.","Structurally characterised new twisted conformer for cyclen, controlled by metal ion complexation as seen in NiII and CuII complexes with halides and pseudohalides","CrystEngComm","2022","24","1","119","131","10.1039/D1CE01096D","","","0.71073","MoKα","","0.0468","0.0288","","","0.0327","0.035","","","","","","1.064","","","","has coordinates","272603","2022-02-04","19:18:06",""
"7243816","8.3568","0.0004","14.4655","0.0007","11.2207","0.0005","90","","92.8489","0.0012","90","","1354.74","0.11","273","2","273.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H20 Cu N10 -","- C8 H20 Cu N10 -","- C32 H80 Cu4 N40 -","4","1","","Verma, Abhineet; Bhuvanesh, Nattamai; Reibenspies, Joseph; Tayade, Sakharam B.; Kumbhar, Avinash S.; Bretosh, Kateryna; Sutter, Jean-Pascal; Sunkari, Sailaja S.","Structurally characterised new twisted conformer for cyclen, controlled by metal ion complexation as seen in NiII and CuII complexes with halides and pseudohalides","CrystEngComm","2022","24","1","119","131","10.1039/D1CE01096D","","x-ray","0.71073","MoKα","","0.0268","0.022","","","0.0525","0.0547","","","","","","1.076","","","","has coordinates","272603","2022-02-04","19:18:06",""
"7243817","15.1276","0.0011","8.9116","0.0007","11.1889","0.0008","90","","90","","90","","1508.39","0.19","110","","110","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H23 Br N4 Ni O2 -","- C10 H23 Br N4 Ni O2 -","- C40 H92 Br4 N16 Ni4 O8 -","4","0.5","","Verma, Abhineet; Bhuvanesh, Nattamai; Reibenspies, Joseph; Tayade, Sakharam B.; Kumbhar, Avinash S.; Bretosh, Kateryna; Sutter, Jean-Pascal; Sunkari, Sailaja S.","Structurally characterised new twisted conformer for cyclen, controlled by metal ion complexation as seen in NiII and CuII complexes with halides and pseudohalides","CrystEngComm","2022","24","1","119","131","10.1039/D1CE01096D","","x-ray","0.71073","MoKα","","0.0548","0.0434","","","0.0814","0.0862","","","","","","1.182","","","","has coordinates","272603","2022-02-04","19:18:06",""
"7243818","7.8876","0.0005","8.3604","0.0006","9.668","0.0007","65.082","0.002","76.419","0.002","73.429","0.002","549.34","0.07","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C3 H12 O12 Sc -","- C3 H12 O12 Sc -","- C6 H24 O24 Sc2 -","2","1","","Liu, Rui; Jiang, Yansong; Gong, Yiran; Fu, Yu; Shen, Jieyu; Wang, Li; Fan, Yong; Guo, Yupeng; Xu, Jianing","Two scandium-based coordination polymers: rapid ultrasound-assisted synthesis, crystal transformation, and catalytic properties","CrystEngComm","2021","23","44","7813","7821","10.1039/D1CE01206A","","","0.71073","MoKα","","0.0511","0.0474","","","0.1319","0.1369","","","","","","1.056","","","","has coordinates","271154","2021-12-07","02:51:31",""
"7243819","13.9162","0.0005","25.5541","0.001","14.1871","0.0005","90","","106.461","0.001","90","","4838.4","0.3","273.15","","273.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H102 K4 Mo12 N2 O64 Si -","- C52 H102 K4 Mo12 N2 O64 Si -","- C104 H204 K8 Mo24 N4 O128 Si2 -","2","0.5","","Shi, Jianhang; Zhang, Hongxu; Wang, Peisen; Wang, Pai; Zha, Junjie; Liu, Yi; Gautam, Jagadis; Zhang, Lu-Nan; Wang, Yue; Xie, Ju; Ni, Lubin; Diao, Guowang; Wei, Yongge","Inorganic–organic hybrid supramolecular architectures based on Keggin polyoxometalates and crown ether: synthesis, crystal structure and electrochemical properties","CrystEngComm","2021","23","48","8482","8489","10.1039/D1CE01203G","","","0.71073","MoKα","","0.0754","0.0556","","","0.1054","0.1138","","","","","","1.041","","","","has coordinates","271838","2022-01-06","21:14:46",""
"7243820","13.9948","0.0007","25.5334","0.0013","14.1995","0.0007","90","","106.73","0.002","90","","4859.2","0.4","273.15","","273.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H102 K4 N2 O64 Si W12 -","- C52 H102 K4 N2 O64 Si W11.9998 -","- C104 H204 K8 N4 O128 Si2 W23.9996 -","2","0.5","","Shi, Jianhang; Zhang, Hongxu; Wang, Peisen; Wang, Pai; Zha, Junjie; Liu, Yi; Gautam, Jagadis; Zhang, Lu-Nan; Wang, Yue; Xie, Ju; Ni, Lubin; Diao, Guowang; Wei, Yongge","Inorganic–organic hybrid supramolecular architectures based on Keggin polyoxometalates and crown ether: synthesis, crystal structure and electrochemical properties","CrystEngComm","2021","23","48","8482","8489","10.1039/D1CE01203G","","","0.71073","MoKα","","0.0729","0.0423","","","0.0718","0.0799","","","","","","1.018","","","","has coordinates","271838","2022-01-06","21:14:47",""
"7243821","7.057","0.0004","12.6851","0.0006","14.8883","0.0009","80.126","0.004","77.986","0.005","76.607","0.005","1257.45","0.12","99","2","99","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H18 Br4 I2 N4 O2 -","- C18 H18 Br4 I2 N4 O2 -","- C36 H36 Br8 I4 N8 O4 -","2","1","","Milašinović, Valentina; Molčanov, Krešimir","Novel co-crystals with π-hole interactions between iodide anions and quinoid rings involving charge transfer","CrystEngComm","2021","23","46","8209","8214","10.1039/D1CE01156A","","","1.54184","CuKα","","0.0526","0.0507","","","","0.1452","","","","","","0.928","","","","has coordinates","271173","2021-12-07","03:07:42",""
"7243822","15.4807","0.0005","9.1376","0.0004","17.3524","0.0005","90","","91.217","0.003","90","","2454.06","0.15","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Br4 Cl0 I2 N2 O2 -","- C18 H16 Br4 I2 N2 O2 -","- C72 H64 Br16 I8 N8 O8 -","4","1","","Milašinović, Valentina; Molčanov, Krešimir","Novel co-crystals with π-hole interactions between iodide anions and quinoid rings involving charge transfer","CrystEngComm","2021","23","46","8209","8214","10.1039/D1CE01156A","","","1.54179","CuKα","","0.0625","0.056","","","","0.1565","","","","","","1.044","","","","has coordinates","271173","2021-12-07","03:07:42",""
"7243823","10.9816","0.0002","15.6952","0.0002","13.8514","0.0002","90","","110.729","0.002","90","","2232.86","0.07","293","2","293","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C15 H14 Br2 Cl2 I2 N2 O -","- C15 H14 Br2 Cl2 I2 N2 O -","- C60 H56 Br8 Cl8 I8 N8 O4 -","4","1","","Milašinović, Valentina; Molčanov, Krešimir","Novel co-crystals with π-hole interactions between iodide anions and quinoid rings involving charge transfer","CrystEngComm","2021","23","46","8209","8214","10.1039/D1CE01156A","","","1.54179","CuKα","","0.0537","0.0522","","","","0.1591","","","","","","1.048","","","","has coordinates","271173","2021-12-07","03:07:42",""
"7243824","8.5741","0.0007","9.1611","0.0007","9.2506","0.0007","105.323","0.007","94.024","0.007","95.605","0.007","693.94","0.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H18 Br4 Cl2 I2 N2 O2 -","- C20 H18 Br4 Cl2 I2 N2 O2 -","- C20 H18 Br4 Cl2 I2 N2 O2 -","1","0.5","","Milašinović, Valentina; Molčanov, Krešimir","Novel co-crystals with π-hole interactions between iodide anions and quinoid rings involving charge transfer","CrystEngComm","2021","23","46","8209","8214","10.1039/D1CE01156A","","","1.54184","CuKα","","0.0679","0.0635","","","","0.1949","","","","","","1.099","","","","has coordinates","271173","2021-12-07","03:07:42",""
"7243825","13.9401","0.0002","13.8771","0.0002","7.6055","0.0001","90","","90","","90","","1471.27","0.04","293","2","293","2","","","","","","","","6","P b a m","-P 2 2ab","55","","","","- C20 H30 Br4 I2 N4 O2 -","- C20 H32 Br4 I2 N4 O2 -","- C40 H64 Br8 I4 N8 O4 -","2","0.25","","Milašinović, Valentina; Molčanov, Krešimir","Novel co-crystals with π-hole interactions between iodide anions and quinoid rings involving charge transfer","CrystEngComm","2021","23","46","8209","8214","10.1039/D1CE01156A","","","1.54179","CuKα","","0.0509","0.0504","","","","0.166","","","","","","1.163","","","","has coordinates","271173","2021-12-07","03:07:42",""
"7243826","7.773","0.0017","9.519","0.002","17.246","0.004","90","","91.254","0.004","90","","1275.7","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 Br2 I N O -","- C9 H8 Br2 I N O -","- C36 H32 Br8 I4 N4 O4 -","4","1","","Milašinović, Valentina; Molčanov, Krešimir","Novel co-crystals with π-hole interactions between iodide anions and quinoid rings involving charge transfer","CrystEngComm","2021","23","46","8209","8214","10.1039/D1CE01156A","","","1.54179","CuKα","","0.0608","0.0579","","","","0.1761","","","","","","1.037","","","","has coordinates","271173","2021-12-07","03:07:42",""
"7243827","6.95","0.0014","7.941","0.0016","21.253","0.004","96.36","0.03","93.79","0.03","101.98","0.03","1135.5","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C29 H15 N5 -","- C29 H15 N5 -","- C58 H30 N10 -","2","1","","Khan, Arshad; Usman, Rabia; Li, Rongrong; Hajji, Melek; Tang, Haiming; Ma, Di","Polycyclic motif engineering in cyanostilbene-based donors towards highly efficient modulable emission properties in two-component systems","CrystEngComm","2021","23","47","8462","8470","10.1039/D1CE00959A","","","0.71073","MoKα","","0.1922","0.0684","","","0.1265","0.1721","","","","","","1.002","","","","has coordinates","271837","2022-01-06","21:14:34",""
"7243828","9.951","0.005","11.055","0.004","11.472","0.006","61.503","0.013","81.14","0.01","82.377","0.01","1093.3","0.9","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C2.82 H1.64 N0.27 -","- C2.81818 H1.63636 N0.272727 -","- C62 H36 N6 -","22","11","","Khan, Arshad; Usman, Rabia; Li, Rongrong; Hajji, Melek; Tang, Haiming; Ma, Di","Polycyclic motif engineering in cyanostilbene-based donors towards highly efficient modulable emission properties in two-component systems","CrystEngComm","2021","23","47","8462","8470","10.1039/D1CE00959A","","","0.71073","MoKα","","0.0888","0.0587","","","0.1616","0.1865","","","","","","1.008","","","","has coordinates","271837","2022-01-06","21:14:34",""
"7243829","14.271","0.003","10.228","0.002","14.842","0.003","90","","98.44","0.03","90","","2142.9","0.8","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C29 H18 N3 -","- C29 H18 N3 -","- C116 H72 N12 -","4","1","","Khan, Arshad; Usman, Rabia; Li, Rongrong; Hajji, Melek; Tang, Haiming; Ma, Di","Polycyclic motif engineering in cyanostilbene-based donors towards highly efficient modulable emission properties in two-component systems","CrystEngComm","2021","23","47","8462","8470","10.1039/D1CE00959A","","","0.71073","MoKα","","0.1224","0.059","","","0.1352","0.1699","","","","","","1.005","","","","has coordinates","271837","2022-01-06","21:14:34",""
"7243830","11.6758","0.0005","9.9495","0.0005","31.6357","0.0012","90","","94.133","0.004","90","","3665.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H34 N2 O9.56 -","- C43 H34 N2 O9.56 -","- C172 H136 N8 O38.24 -","4","1","","Xiao, Cheng-Quan; Yi, Wen-Hai; Hu, Jun-Jie; Liu, Sui-Jun; Wen, He-Rui","Stable hydrogen-bonded organic frameworks for selective fluorescence detection of Al3+ and Fe3+ ions","CrystEngComm","2021","23","47","8334","8342","10.1039/D1CE01182K","","","0.71073","MoKα","","0.1693","0.0724","","","0.1359","0.1752","","","","","","0.961","","","","has coordinates","271834","2022-01-06","21:14:02",""
"7243831","11.5248","0.0004","9.7579","0.0003","33.3652","0.0011","90","","95.796","0.001","90","","3733","0.2","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C43 H35 N2 O9 -","- C43 H35 N2 O9 -","- C172 H140 N8 O36 -","4","1","","Xiao, Cheng-Quan; Yi, Wen-Hai; Hu, Jun-Jie; Liu, Sui-Jun; Wen, He-Rui","Stable hydrogen-bonded organic frameworks for selective fluorescence detection of Al3+ and Fe3+ ions","CrystEngComm","2021","23","47","8334","8342","10.1039/D1CE01182K","","","0.71073","MoKα","","0.1275","0.0793","","","0.209","0.262","","","","","","0.829","","","","has coordinates","271834","2022-01-06","21:14:02",""
"7243832","11.1855","0.0002","9.8257","0.0002","33.0145","0.0006","90","","92.215","0.002","90","","3625.76","0.12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C43.59 H33.41 N2.59 O8.41 -","- C43.588 H33.412 N2.588 O8.412 -","- C174.352 H133.648 N10.352 O33.648 -","4","1","","Xiao, Cheng-Quan; Yi, Wen-Hai; Hu, Jun-Jie; Liu, Sui-Jun; Wen, He-Rui","Stable hydrogen-bonded organic frameworks for selective fluorescence detection of Al3+ and Fe3+ ions","CrystEngComm","2021","23","47","8334","8342","10.1039/D1CE01182K","","","0.71073","MoKα","","0.0576","0.0509","","","0.1254","0.1285","","","","","","1.095","","","","has coordinates,has disorder","271834","2022-01-06","21:14:02",""
"7243833","11.8376","0.0005","9.829","0.0004","31.8542","0.0015","90","","95.889","0.002","90","","3686.7","0.3","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C86 H74 N4 O19 -","- C86 H74 N4 O19 -","- C172 H148 N8 O38 -","2","0.5","","Xiao, Cheng-Quan; Yi, Wen-Hai; Hu, Jun-Jie; Liu, Sui-Jun; Wen, He-Rui","Stable hydrogen-bonded organic frameworks for selective fluorescence detection of Al3+ and Fe3+ ions","CrystEngComm","2021","23","47","8334","8342","10.1039/D1CE01182K","","","0.71073","MoKα","","0.1367","0.0921","","","0.1509","0.1665","","","","","","1.129","","","","has coordinates","271834","2022-01-06","21:14:02",""
"7243835","21.43","0.0003","13.5076","0.0001","9.2943","0.0001","90","","113.17","0.001","90","","2473.4","0.05","300","","300","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","TBPADP","","","- C44 H89 O8 P2 -","- C44 H89 O8 P2 -","- C88 H178 O16 P4 -","2","0.5","","Haneda, Tsuyoshi; Matsuno, Shinya; Yamamoto, Hisanao; Ohtsu, Hiroyoshi; Kawano, Masaki","Latency control of chemical reactions in polymerization of epoxy resins using a hydrogen bonding network","CrystEngComm","2021","23","44","7717","7719","10.1039/D1CE01163D","powder diffraction","","0.8","synchrotron","","0.10497","","","","","","0.10497","0.19512","0.715","","","","","","","has coordinates","271155","2021-12-07","02:51:49",""
"7243836","13.8216","0.0004","10.531","0.0003","9.538","0.0002","83.576","0.001","93.435","0.001","109.149","0.002","1302.86","0.06","300","","300","","","","","","","","","4","P -1","-P 1","2","TBP","","","- C48 H81 O8 P2 -","- C48 H81 O8 P2 -","- C48 H81 O8 P2 -","1","0.5","","Haneda, Tsuyoshi; Matsuno, Shinya; Yamamoto, Hisanao; Ohtsu, Hiroyoshi; Kawano, Masaki","Latency control of chemical reactions in polymerization of epoxy resins using a hydrogen bonding network","CrystEngComm","2021","23","44","7717","7719","10.1039/D1CE01163D","powder diffraction","","1.77","synchrotron","","0.02813","","","","","","0.02811","0.06802","4.3378","","","","","","","has coordinates","271155","2021-12-07","02:51:50",""
"7243837","19.5817","0.0002","19.58544","0.00006","12.02036","0.00006","90","","90","","90","","4610","0.05","300","","300","","","","","","","","","3","C c c a :2","-C 2a 2ac","68","BTB-Pyram","","","- C21 O4 P -","- C21 O4 P -","- C168 O32 P8 -","8","0.5","","Haneda, Tsuyoshi; Matsuno, Shinya; Yamamoto, Hisanao; Ohtsu, Hiroyoshi; Kawano, Masaki","Latency control of chemical reactions in polymerization of epoxy resins using a hydrogen bonding network","CrystEngComm","2021","23","44","7717","7719","10.1039/D1CE01163D","powder diffraction","","0.8","synchrotron","","0.12309","","","","","","0.12329","0.14659","0.4902","","","","","","","has coordinates","271155","2021-12-07","02:51:50",""
"7243838","9.3115","0.0003","13.0344","0.0004","19.6397","0.0007","90","","91.56","0.003","90","","2382.78","0.14","123","","123","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H45 O4 P -","- C22 H45 O4 P -","- C88 H180 O16 P4 -","4","0.5","","Haneda, Tsuyoshi; Matsuno, Shinya; Yamamoto, Hisanao; Ohtsu, Hiroyoshi; Kawano, Masaki","Latency control of chemical reactions in polymerization of epoxy resins using a hydrogen bonding network","CrystEngComm","2021","23","44","7717","7719","10.1039/D1CE01163D","","x-ray","0.71073","MoKα","","0.0363","0.0322","","","0.0841","0.0864","","","","","","1.054","","","","has coordinates","271155","2021-12-07","02:51:50",""
"7243839","19.1921","0.0007","20.0035","0.0008","11.7616","0.0004","90","","90","","90","","4515.4","0.3","223","","223","","","","","","","","","4","C c c a :2","-C 2a 2ac","68","","","","- C42 H76 O8 P2 -","- C42 H76 O8 P2 -","- C168 H304 O32 P8 -","4","0.25","","Haneda, Tsuyoshi; Matsuno, Shinya; Yamamoto, Hisanao; Ohtsu, Hiroyoshi; Kawano, Masaki","Latency control of chemical reactions in polymerization of epoxy resins using a hydrogen bonding network","CrystEngComm","2021","23","44","7717","7719","10.1039/D1CE01163D","","x-ray","1.54184","CuKα","","0.0678","0.0507","","","0.1367","0.1489","","","","","","1.066","","","","has coordinates","271155","2021-12-07","02:51:50",""
"7243840","9.5325","0.0004","10.0097","0.0003","13.4783","0.0004","74.634","0.003","87.007","0.003","81.876","0.003","1227.5","0.08","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H41 O4 P -","- C24 H41 O4 P -","- C48 H82 O8 P2 -","2","1","","Haneda, Tsuyoshi; Matsuno, Shinya; Yamamoto, Hisanao; Ohtsu, Hiroyoshi; Kawano, Masaki","Latency control of chemical reactions in polymerization of epoxy resins using a hydrogen bonding network","CrystEngComm","2021","23","44","7717","7719","10.1039/D1CE01163D","","x-ray","0.71073","MoKα","","0.084","0.0639","","","0.1843","0.1976","","","","","","1.111","","","","has coordinates","271155","2021-12-07","02:51:50",""
"7243841","15.9106","0.0005","14.2542","0.0004","15.9668","0.0005","90","","95.032","0.007","90","","3607.2","0.19","296","","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H25 O4 P -","- C16 H25 O4 P -","- C128 H200 O32 P8 -","8","1","","Haneda, Tsuyoshi; Matsuno, Shinya; Yamamoto, Hisanao; Ohtsu, Hiroyoshi; Kawano, Masaki","Latency control of chemical reactions in polymerization of epoxy resins using a hydrogen bonding network","CrystEngComm","2021","23","44","7717","7719","10.1039/D1CE01163D","","","1.54187","CuKα","","0.0815","0.0598","","","0.1823","0.2064","","","","","","1.083","","","","has coordinates","271155","2021-12-07","02:51:50",""
"7243854","9.5985","0.0004","23.0985","0.0011","16.6315","0.0007","90","","90","","90","","3687.4","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H55 N5 O8 -","- C34 H55 N5 O8 -","- C136 H220 N20 O32 -","4","1","","Nandi, Sujay Kumar; Mondal, Saikat; Mondal, Sahabaj; Gumtya, Milan; Haldar, Debasish","Structure–mechanical property relationship of a pentapeptide crystal","CrystEngComm","2021","23","46","8093","8098","10.1039/D1CE00738F","","x-ray","0.71073","MoKα","","0.0562","0.0482","","","0.1048","0.1119","","","","","","1.07","","","","has coordinates","271177","2021-12-07","03:08:47",""
"7243861","13.0139","0.0006","8.364","0.0004","15.6352","0.0007","90","","105.259","0.001","90","","1641.87","0.13","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H26 Cd N6 O10 -","- C38 H26 Cd N6 O10 -","- C76 H52 Cd2 N12 O20 -","2","0.5","","Chen, Yaxuan; Liu, Guocheng; Wang, Xiuli; Lu, Xue; Xu, Na; Chang, Zhihan; Zhang, Zhong; Li, Xiaohui","Various carboxylates induced eight Zn(ii)/Cd(ii) coordination polymers with fluorescence sensing activities for Fe(iii), Cr(vi) and oxytetracycline","CrystEngComm","2021","23","46","8077","8086","10.1039/D1CE01166A","","","0.71073","MoKα","","0.0393","0.0279","","","0.0715","0.078","","","","","","0.996","","","","has coordinates","271180","2021-12-07","03:09:26",""
"7243862","7.4456","0.0006","10.0938","0.0008","20.1002","0.0015","80.984","0.002","81.683","0.002","87.5","0.002","1475.9","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H25 Cd N5 O9 -","- C32 H25 Cd N5 O9 -","- C64 H50 Cd2 N10 O18 -","2","1","","Chen, Yaxuan; Liu, Guocheng; Wang, Xiuli; Lu, Xue; Xu, Na; Chang, Zhihan; Zhang, Zhong; Li, Xiaohui","Various carboxylates induced eight Zn(ii)/Cd(ii) coordination polymers with fluorescence sensing activities for Fe(iii), Cr(vi) and oxytetracycline","CrystEngComm","2021","23","46","8077","8086","10.1039/D1CE01166A","","","0.71073","MoKα","","0.088","0.05","","","0.0901","0.1165","","","","","","1.005","","","","has coordinates","271180","2021-12-07","03:09:26",""
"7243863","8.604","0.005","10.136","0.005","11.831","0.005","90.865","0.005","101.993","0.005","101.402","0.005","987.6","0.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 Cd N2 O6 -","- C21 H18 Cd N2 O6 -","- C42 H36 Cd2 N4 O12 -","2","1","","Chen, Yaxuan; Liu, Guocheng; Wang, Xiuli; Lu, Xue; Xu, Na; Chang, Zhihan; Zhang, Zhong; Li, Xiaohui","Various carboxylates induced eight Zn(ii)/Cd(ii) coordination polymers with fluorescence sensing activities for Fe(iii), Cr(vi) and oxytetracycline","CrystEngComm","2021","23","46","8077","8086","10.1039/D1CE01166A","","","0.71069","MoKα","","0.055","0.0421","","","0.1066","0.1139","","","","","","1.021","","","","has coordinates","271180","2021-12-07","03:09:26",""
"7243864","6.8068","0.0003","22.8205","0.0011","14.2425","0.0007","90","","92.986","0.001","90","","2209.35","0.18","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H42 Cd3 N4 O16 -","- C44 H42 Cd3 N4 O16 -","- C88 H84 Cd6 N8 O32 -","2","0.5","","Chen, Yaxuan; Liu, Guocheng; Wang, Xiuli; Lu, Xue; Xu, Na; Chang, Zhihan; Zhang, Zhong; Li, Xiaohui","Various carboxylates induced eight Zn(ii)/Cd(ii) coordination polymers with fluorescence sensing activities for Fe(iii), Cr(vi) and oxytetracycline","CrystEngComm","2021","23","46","8077","8086","10.1039/D1CE01166A","","","0.71073","MoKα","","0.0683","0.0414","","","0.0886","0.0994","","","","","","1","","","","has coordinates","271180","2021-12-07","03:09:26",""
"7243865","9.033","0.005","9.906","0.005","19.233","0.005","98.94","0.005","96.928","0.005","115.762","0.005","1496.5","1.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H26 N4 O6 Zn -","- C33 H26 N4 O6 Zn -","- C66 H52 N8 O12 Zn2 -","2","1","","Chen, Yaxuan; Liu, Guocheng; Wang, Xiuli; Lu, Xue; Xu, Na; Chang, Zhihan; Zhang, Zhong; Li, Xiaohui","Various carboxylates induced eight Zn(ii)/Cd(ii) coordination polymers with fluorescence sensing activities for Fe(iii), Cr(vi) and oxytetracycline","CrystEngComm","2021","23","46","8077","8086","10.1039/D1CE01166A","","","0.71069","MoKα","","0.1241","0.0737","","","0.2074","0.241","","","","","","1.057","","","","has coordinates","271180","2021-12-07","03:09:26",""
"7243866","4.8119","0.0005","12.3498","0.0012","34.966","0.004","90.387","0.002","93.527","0.002","93.29","0.002","2070.4","0.4","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H20 Cd2 Cl8 N4 O10 -","- C40 H20 Cd2 Cl8 N4 O10 -","- C80 H40 Cd4 Cl16 N8 O20 -","2","1","","Chen, Yaxuan; Liu, Guocheng; Wang, Xiuli; Lu, Xue; Xu, Na; Chang, Zhihan; Zhang, Zhong; Li, Xiaohui","Various carboxylates induced eight Zn(ii)/Cd(ii) coordination polymers with fluorescence sensing activities for Fe(iii), Cr(vi) and oxytetracycline","CrystEngComm","2021","23","46","8077","8086","10.1039/D1CE01166A","","x-ray","0.71073","MoKα","K-L~3~","0.094","0.0556","","","0.1384","0.1635","","","","","","1.04","","","","has coordinates","271180","2021-12-07","03:09:26",""
"7243867","21.4405","0.0015","10.1496","0.0006","27.784","0.0018","90","","108.755","0.002","90","","5725.1","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H26 Cd N4 O8 -","- C32 H26 Cd N4 O8 -","- C256 H208 Cd8 N32 O64 -","8","1","","Chen, Yaxuan; Liu, Guocheng; Wang, Xiuli; Lu, Xue; Xu, Na; Chang, Zhihan; Zhang, Zhong; Li, Xiaohui","Various carboxylates induced eight Zn(ii)/Cd(ii) coordination polymers with fluorescence sensing activities for Fe(iii), Cr(vi) and oxytetracycline","CrystEngComm","2021","23","46","8077","8086","10.1039/D1CE01166A","","","0.71073","MoKα","","0.06","0.0342","","","0.0668","0.0757","","","","","","0.966","","","","has coordinates","271180","2021-12-07","03:09:26",""
"7243868","8.609","0.0007","9.6249","0.0008","17.9177","0.0014","97.561","0.002","94.156","0.002","116.185","0.002","1306.43","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C3.62 H3.12 N0.5 O Zn0.12 -","- C3.625 H3.125 N0.5 O Zn0.125 -","- C58 H50 N8 O16 Zn2 -","16","8","","Chen, Yaxuan; Liu, Guocheng; Wang, Xiuli; Lu, Xue; Xu, Na; Chang, Zhihan; Zhang, Zhong; Li, Xiaohui","Various carboxylates induced eight Zn(ii)/Cd(ii) coordination polymers with fluorescence sensing activities for Fe(iii), Cr(vi) and oxytetracycline","CrystEngComm","2021","23","46","8077","8086","10.1039/D1CE01166A","","","0.71073","MoKα","","0.0715","0.042","","","0.0824","0.0936","","","","","","1","","","","has coordinates","271180","2021-12-07","03:09:26",""
"7243869","11.1927","0.001","12.9714","0.0011","21.8377","0.0019","80.98","0.005","77.033","0.005","76.035","0.005","2980.6","0.5","173","2","173.02","","","","","","","","","7","P -1","-P 1","2","","","","- C72 H76 Cl4 Mn N8 O22 Zr6 -","- C72 H76 Cl4 Mn N8 O22 Zr6 -","- C72 H76 Cl4 Mn N8 O22 Zr6 -","1","0.5","","Wang, Ying; Fu, Yaomei; You, Siqi; Li, Xuexin; Zhao, Liang; Qin, Chao; Wang, Xinlong","Two Zr-based heterometal–organic frameworks for efficient CO2 reduction under visible light","CrystEngComm","2021","23","46","8115","8120","10.1039/D1CE01198G","","x-ray","0.71073","MoKα","K-L~3~","0.133","0.0635","","","0.1572","0.1865","","","","","","1.037","","","","has coordinates","271176","2021-12-07","03:08:25",""
"7243870","10.51","0.004","16.988","0.007","29.61","0.012","90","","90","","90","","5287","4","173","2","173.02","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C36 H52 Cl3 N4 Ni O19 Zr3 -","- C33 H29 Cl3 N3 Ni O13 Zr3 -","- C132 H116 Cl12 N12 Ni4 O52 Zr12 -","4","1","","Wang, Ying; Fu, Yaomei; You, Siqi; Li, Xuexin; Zhao, Liang; Qin, Chao; Wang, Xinlong","Two Zr-based heterometal–organic frameworks for efficient CO2 reduction under visible light","CrystEngComm","2021","23","46","8115","8120","10.1039/D1CE01198G","","x-ray","0.71073","MoKα","K-L~3~","0.1168","0.0559","","","0.1086","0.1264","","","","","","0.99","","","","has coordinates","271176","2021-12-07","03:08:28",""
"7243871","16.9618","0.001","16.9618","0.001","28.201","0.003","90","","90","","120","","7026.5","0.9","153","2","153","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C70 H81 Mn6 N12 Na3 O47 -","- C69.9998 H69.0002 Mn6 N12 Na3 O47.0002 -","- C209.999 H207.001 Mn18 N36 Na9 O141.001 -","3","0.166667","","Wu, Yan-Fang; Hu, Zhao-Bo; Quan, Lixia; Jing, Leina; Zhang, Jinlei; Chen, Zilu","Single-molecule magnet achieved through topological tuning with sodium ions","CrystEngComm","2021","23","48","8490","8497","10.1039/D1CE01382C","","","0.71073","MoKα","","0.0355","0.0314","","","0.0834","0.0881","","","","","","1.057","","","","has coordinates","271843","2022-01-06","21:16:20",""
"7243872","11.6155","0.0004","13.4396","0.0006","16.6802","0.0008","86.026","0.004","75.057","0.003","85.102","0.005","2503.64","0.19","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H39 Mn3 N8 O24 -","- C38 H39 Mn3 N8 O24 -","- C76 H78 Mn6 N16 O48 -","2","1","","Wu, Yan-Fang; Hu, Zhao-Bo; Quan, Lixia; Jing, Leina; Zhang, Jinlei; Chen, Zilu","Single-molecule magnet achieved through topological tuning with sodium ions","CrystEngComm","2021","23","48","8490","8497","10.1039/D1CE01382C","","","0.71073","MoKα","","0.171","0.092","","","0.2347","0.2937","","","","","","1.079","","","","has coordinates","271843","2022-01-06","21:16:20",""
"7243873","13.502","0.0007","14.1079","0.0008","15.3728","0.0007","84.81","0.004","68.896","0.004","77.273","0.005","2664.6","0.3","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H51 Mn3 N6 Na2 O21 -","- C45 H51 Mn3 N6 Na2 O21 -","- C90 H102 Mn6 N12 Na4 O42 -","2","1","","Wu, Yan-Fang; Hu, Zhao-Bo; Quan, Lixia; Jing, Leina; Zhang, Jinlei; Chen, Zilu","Single-molecule magnet achieved through topological tuning with sodium ions","CrystEngComm","2021","23","48","8490","8497","10.1039/D1CE01382C","","","0.71073","MoKα","","0.0895","0.0687","","","0.1675","0.1847","","","","","","1.139","","","","has coordinates,has disorder","271843","2022-01-06","21:16:20",""
"7243878","12.765","0.0007","12.8233","0.0008","14.6204","0.0008","76.975","0.005","64.278","0.005","68.218","0.006","1996.2","0.2","120","2","120.15","","","","","","","","","6","P -1","-P 1","2","","","","- C39 H48 Cl2 Dy N9 O4 -","- C39 H48 Cl2 Dy N9 O4 -","- C78 H96 Cl4 Dy2 N18 O8 -","2","1","","Chen, Bo-Yi; Tsai, Min-Yem; Su, Yu-Chia; Lin, Po-Heng; Long, Jérôme","Synthesis, structures and magnetic properties of dysprosium(iii) complexes based on amino-bis(benzotriazole phenolate) and nitrophenolates: influence over the slow relaxation of the magnetization","CrystEngComm","2021","23","47","8343","8350","10.1039/D1CE00909E","","","0.71073","MoKα","","0.0455","0.0371","","","0.0807","0.0852","","","","","","1.059","","","","has coordinates","271836","2022-01-06","21:14:26",""
"7243879","9.1671","0.0005","11.9694","0.0008","19.5627","0.0011","84.62","0.005","84.325","0.005","88.419","0.005","2126.2","0.2","150","2","150.15","","","","","","","","","5","P -1","-P 1","2","","","","- C41 H43 Dy N10 O10 -","- C41 H43 Dy N10 O10 -","- C82 H86 Dy2 N20 O20 -","2","1","","Chen, Bo-Yi; Tsai, Min-Yem; Su, Yu-Chia; Lin, Po-Heng; Long, Jérôme","Synthesis, structures and magnetic properties of dysprosium(iii) complexes based on amino-bis(benzotriazole phenolate) and nitrophenolates: influence over the slow relaxation of the magnetization","CrystEngComm","2021","23","47","8343","8350","10.1039/D1CE00909E","","","0.71073","MoKα","","0.0801","0.0615","","","0.124","0.1352","","","","","","1.047","","","","has coordinates,has disorder","271836","2022-01-06","21:14:27",""
"7243880","9.2418","0.0004","11.8854","0.0004","19.2808","0.0007","81.334","0.003","82.417","0.003","88.254","0.003","2075.24","0.14","150","2","150.15","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H42 Dy N11 O11 -","- C40 H42 Dy N11 O11 -","- C80 H84 Dy2 N22 O22 -","2","1","","Chen, Bo-Yi; Tsai, Min-Yem; Su, Yu-Chia; Lin, Po-Heng; Long, Jérôme","Synthesis, structures and magnetic properties of dysprosium(iii) complexes based on amino-bis(benzotriazole phenolate) and nitrophenolates: influence over the slow relaxation of the magnetization","CrystEngComm","2021","23","47","8343","8350","10.1039/D1CE00909E","","","0.71073","MoKα","","0.0455","0.0362","","","0.0675","0.071","","","","","","1.071","","","","has coordinates","271836","2022-01-06","21:14:27",""
"7243881","11.8504","0.0004","9.1104","0.0003","37.8203","0.0011","90","","97.811","0.003","90","","4045.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H43 Dy N10 O9 -","- C40 H43 Dy N10 O9 -","- C160 H172 Dy4 N40 O36 -","4","1","","Chen, Bo-Yi; Tsai, Min-Yem; Su, Yu-Chia; Lin, Po-Heng; Long, Jérôme","Synthesis, structures and magnetic properties of dysprosium(iii) complexes based on amino-bis(benzotriazole phenolate) and nitrophenolates: influence over the slow relaxation of the magnetization","CrystEngComm","2021","23","47","8343","8350","10.1039/D1CE00909E","","","0.71073","MoKα","","0.0499","0.0408","","","0.065","0.0671","","","","","","1.188","","","","has coordinates","271836","2022-01-06","21:14:27",""
"7243882","46.8542","0.0019","18.1479","0.0008","18.2239","0.0008","90","","112.584","0.001","90","","14307.6","1.1","120","","120","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C163 H183 B2 Dy2 O14 Si4 -","- C163 H183 B2 Dy2 O14 Si4 -","- C652 H732 B8 Dy8 O56 Si16 -","4","0.5","","Long, Jérôme; Tolpygin, Aleksei O.; Cherkasov, Anton V.; Nelyubina, Yulia V.; Guari, Yannick; Larionova, Joulia; Trifonov, Alexander A.","Tuning the coordination sphere of octahedral Dy(iii) complexes with silanolate/stannanolate ligands: synthesis, structures and slow relaxation of the magnetization","CrystEngComm","2021","23","47","8351","8359","10.1039/D1CE01266E","","","0.71073","MoKα","","0.0995","0.0598","","","0.1301","0.157","","","","","","1.014","","","","has coordinates,has disorder","271830","2022-01-06","21:13:12",""
"7243883","14.334","0.002","16.468","0.002","14.54","0.002","90","","113.635","0.003","90","","3144.3","0.7","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C70 H77 Dy O7 Si3 -","- C70 H77 Dy O7 Si3 -","- C140 H154 Dy2 O14 Si6 -","2","1","","Long, Jérôme; Tolpygin, Aleksei O.; Cherkasov, Anton V.; Nelyubina, Yulia V.; Guari, Yannick; Larionova, Joulia; Trifonov, Alexander A.","Tuning the coordination sphere of octahedral Dy(iii) complexes with silanolate/stannanolate ligands: synthesis, structures and slow relaxation of the magnetization","CrystEngComm","2021","23","47","8351","8359","10.1039/D1CE01266E","","","0.71073","MoKα","","0.0914","0.0564","","","0.0996","0.1104","","","","","","0.996","","","","has coordinates,has disorder","271830","2022-01-06","21:13:12",""
"7243884","14.2745","0.0004","16.2901","0.0005","15.0762","0.0004","90","","115.806","0.001","90","","3156.1","0.16","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C72 H69 Dy N2 O5 Si3 -","- C72 H69 Dy N2 O5 Si3 -","- C144 H138 Dy2 N4 O10 Si6 -","2","1","","Long, Jérôme; Tolpygin, Aleksei O.; Cherkasov, Anton V.; Nelyubina, Yulia V.; Guari, Yannick; Larionova, Joulia; Trifonov, Alexander A.","Tuning the coordination sphere of octahedral Dy(iii) complexes with silanolate/stannanolate ligands: synthesis, structures and slow relaxation of the magnetization","CrystEngComm","2021","23","47","8351","8359","10.1039/D1CE01266E","","","0.71073","MoKα","","0.0504","0.0349","","","0.0539","0.0572","","","","","","1.028","","","","has coordinates,has disorder","271830","2022-01-06","21:13:12",""
"7243885","14.2076","0.0006","14.4956","0.0006","20.1298","0.0008","75.221","0.002","83.003","0.002","64.803","0.001","3626.7","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C82 H96 B Dy O6 Sn2 -","- C82 H96 B Dy O6 Sn2 -","- C164 H192 B2 Dy2 O12 Sn4 -","2","1","","Long, Jérôme; Tolpygin, Aleksei O.; Cherkasov, Anton V.; Nelyubina, Yulia V.; Guari, Yannick; Larionova, Joulia; Trifonov, Alexander A.","Tuning the coordination sphere of octahedral Dy(iii) complexes with silanolate/stannanolate ligands: synthesis, structures and slow relaxation of the magnetization","CrystEngComm","2021","23","47","8351","8359","10.1039/D1CE01266E","","","0.71073","MoKα","","0.0886","0.0452","","","0.0787","0.0901","","","","","","1.031","","","","has coordinates,has disorder","271830","2022-01-06","21:13:12",""
"7243886","16.5639","0.0008","17.9149","0.0009","25.3059","0.0015","104.626","0.003","106.317","0.002","91.236","0.002","6938.6","0.6","84","2","84","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H93 Ag2 Mo8 N9 O27 -","- C45 H93 Ag2 Mo8 N9 O27 -","- C180 H372 Ag8 Mo32 N36 O108 -","4","2","","Abramov, Pavel A.; Komarov, Vladislav Yu.; Pischur, Denis A.; Sulyaeva, Veronica S.; Benassi, Enrico; Sokolov, Maxim N.","Solvatomorphs of (Bu4N)2[{Ag(N2-py)}2Mo8O26]: structure, colouration and phase transition","CrystEngComm","2021","23","48","8527","8537","10.1039/D1CE01152A","","x-ray","0.71073","MoKα","","0.1124","0.0742","","","0.1557","0.1699","","","","","","1.087","","","","has coordinates","271844","2022-01-06","21:16:31",""
"7243887","17.5214","0.0004","16.1843","0.0004","23.4644","0.0006","90","","90","","90","","6653.8","0.3","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H86 Ag2 Mo8 N8 O26 -","- C42 H86 Ag2 Mo8 N8 O26 -","- C168 H344 Ag8 Mo32 N32 O104 -","4","0.5","","Abramov, Pavel A.; Komarov, Vladislav Yu.; Pischur, Denis A.; Sulyaeva, Veronica S.; Benassi, Enrico; Sokolov, Maxim N.","Solvatomorphs of (Bu4N)2[{Ag(N2-py)}2Mo8O26]: structure, colouration and phase transition","CrystEngComm","2021","23","48","8527","8537","10.1039/D1CE01152A","","x-ray","0.71073","MoKα","","0.0363","0.0238","","","0.0471","0.0505","","","","","","1.047","","","","has coordinates","271844","2022-01-06","21:16:31",""
"7243888","12.9493","0.0007","16.7502","0.0005","18.016","0.0009","88.198","0.001","74.295","0.001","68.962","0.001","3501.7","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H93 Ag2 Mo8 N9 O27 -","- C45 H93 Ag2 Mo8 N9 O27 -","- C90 H186 Ag4 Mo16 N18 O54 -","2","1","","Abramov, Pavel A.; Komarov, Vladislav Yu.; Pischur, Denis A.; Sulyaeva, Veronica S.; Benassi, Enrico; Sokolov, Maxim N.","Solvatomorphs of (Bu4N)2[{Ag(N2-py)}2Mo8O26]: structure, colouration and phase transition","CrystEngComm","2021","23","48","8527","8537","10.1039/D1CE01152A","","","0.71073","MoKα","","0.1062","0.0694","","","0.1466","0.1824","","","","","","1.104","","","","has coordinates,has disorder","271844","2022-01-06","21:16:31",""
"7243889","11.4556","0.0003","26.8887","0.0007","9.5696","0.0003","90","","91.164","0.002","90","","2947.08","0.14","103","5","103","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Lumifantrine-Fumaric Acid 2:1 salt","2-(dibutylamino)-1-[(9Z)-2,7-dichloro-9-[(4-chlorophenyl)methylidene]-9H-fluoren-4-yl]ethan-1-ol - (2E)-but-2-enedioic acid","","- C32 H34 Cl3 N O3 -","- C32 H34 Cl3 N O3 -","- C128 H136 Cl12 N4 O12 -","4","1","","Tomar, Devendrasingh; Lodagekar, Anurag; Gunnam, Anilkumar; Allu, Suryanarayana; Chavan, Rahul B.; Tharkar, Minakshi; Ajithkumar, T. G.; Nangia, Ashwini K.; Shastri, Nalini R.","The effects of cis and trans butenedioic acid on the physicochemical behavior of lumefantrine","CrystEngComm","2022","24","1","156","168","10.1039/D0CE01709D","","","0.71073","MoKα","","0.0692","0.0554","","","0.1315","0.1389","","","","","","1.023","","","","has coordinates,has disorder","272601","2022-02-04","19:17:40",""
"7243890","8.3124","0.0011","14.5576","0.0019","17.939","0.002","90","","90","","90","","2170.8","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 N4 O4 Zn -","- C24 H22 N4 O4 Zn -","- C96 H88 N16 O16 Zn4 -","4","1","","Bai, Ye; Zhang, Mei-li; Wang, Bo-Tao; Ren, Yi-Xia; Zhao, Yu-Chao; Yang, Hua; Yang, Xiaogang","Four MOFs with isomeric ligands as fluorescent probes for highly selective, sensitive and stable detection of antibiotics in water","CrystEngComm","2022","24","1","169","181","10.1039/D1CE01261D","","","0.71073","MoKα","","0.0323","0.0265","","","0.058","0.067","","","","","","1.045","","","","has coordinates","272599","2022-02-04","19:17:28",""
"7243891","9.0815","0.0018","19.394","0.004","14.389","0.003","90","","101.562","0.003","90","","2482.9","0.9","296","2","296","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C24 H26 Cd N4 O6 -","- C24 H26 Cd N4 O6 -","- C96 H104 Cd4 N16 O24 -","4","1","","Bai, Ye; Zhang, Mei-li; Wang, Bo-Tao; Ren, Yi-Xia; Zhao, Yu-Chao; Yang, Hua; Yang, Xiaogang","Four MOFs with isomeric ligands as fluorescent probes for highly selective, sensitive and stable detection of antibiotics in water","CrystEngComm","2022","24","1","169","181","10.1039/D1CE01261D","","","0.71073","MoKα","","0.0568","0.0441","","","0.1213","0.1308","","","","","","1.049","","","","has coordinates,has disorder","272599","2022-02-04","19:17:28",""
"7243892","11.7444","0.0016","7.6959","0.001","34.758","0.006","90","","90","","90","","3141.6","0.8","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H23 N O4 -","- C18 H23 N O4 -","- C144 H184 N8 O32 -","8","1","","Bai, Ye; Zhang, Mei-li; Wang, Bo-Tao; Ren, Yi-Xia; Zhao, Yu-Chao; Yang, Hua; Yang, Xiaogang","Four MOFs with isomeric ligands as fluorescent probes for highly selective, sensitive and stable detection of antibiotics in water","CrystEngComm","2022","24","1","169","181","10.1039/D1CE01261D","","","0.71073","MoKα","","0.0622","0.0443","","","0.1136","0.1253","","","","","","1.051","","","","has coordinates","272599","2022-02-04","19:17:28",""
"7243903","16.0135","0.0006","16.0135","0.0006","26.0061","0.0014","90","","90","","120","","5775.4","0.4","297","","297","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C54 H42 N14 Ni -","- C54 H42 N14 Ni -","- C162 H126 N42 Ni3 -","3","0.166667","","Li, Bei; Lei, Qingjuan; Qin, Tong; Zhang, Xiaoxian; Zhao, Dongsheng; Wang, Feng; Li, Wenqian; Zhang, Zhengguo; Fan, Liming","Anion exchange strategy to improve electrocatalytic hydrogen evolution performances in cationic metal–organic frameworks","CrystEngComm","2021","23","47","8260","8264","10.1039/D1CE01210J","","x-ray","1.54184","CuKα","","0.0624","0.0569","","","0.17","0.176","","","","","","1.144","","","","has coordinates","271835","2022-01-06","21:14:17",""
"7243904","7.9191","0.0004","21.1203","0.0007","8.6696","0.0004","90","","111.691","0.005","90","","1347.35","0.11","299.44","0.18","299.44","0.18","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- Cs3 Ga2 H I8 O25 -","- Cs3 Ga2 H I8 O25 -","- Cs6 Ga4 H2 I16 O50 -","2","0.5","","Wang, Dandan; Jiang, Xiaoqing; Gong, Pifu; Zhang, Xinyuan; Lin, Zheshuai; Hu, Zhanggui; Wu, Yicheng","A new I3O93− group constructed from IO3− and IO55− anion units in Cs3[Ga2O(I3O9)(IO3)4(HIO3)]","CrystEngComm","2022","24","1","77","82","10.1039/D1CE01234G","","","0.71073","MoKα","","0.0369","0.0343","","","0.0765","0.0775","","","","","","1.234","","","","has coordinates,has disorder","272606","2022-02-04","19:18:57",""
"7243905","15.4575","0.0009","15.4575","0.0009","88.791","0.007","90","","90","","120","","18373","2","173","2","173","2","","","","","","","","5","P 65","P 65","170","","","","- C108 H84 N18 O36 Zn3 -","- C108 H84 N18 O36 Zn3 -","- C648 H504 N108 O216 Zn18 -","6","1","","Park, Junmyeong; Kim, Dongwon; Kim, Dongwook; Jung, Ok-Sang","Pair of chiral molecular ladders and successive hydration in single-crystal-to-single-crystal mode","CrystEngComm","2021","23","48","8546","8552","10.1039/D1CE01332G","","","0.71073","MoKα","","0.1519","0.1067","","","0.29","0.319","","","","","","1.128","","","","has coordinates,has disorder","271841","2022-01-06","21:15:54",""
"7243906","15.531","0.002","15.531","0.002","89.937","0.018","90","","90","","120","","18787","5","243","2","243","2","","","","","","","","5","P 61","P 61","169","","","","- C108 H84 N18 O36 Zn3 -","- C108 H84 N18 O36 Zn3 -","- C648 H504 N108 O216 Zn18 -","6","1","","Park, Junmyeong; Kim, Dongwon; Kim, Dongwook; Jung, Ok-Sang","Pair of chiral molecular ladders and successive hydration in single-crystal-to-single-crystal mode","CrystEngComm","2021","23","48","8546","8552","10.1039/D1CE01332G","","","0.67","synchrotron","","0.1332","0.1014","","","0.2793","0.2997","","","","","","1.742","","","","has coordinates,has disorder","271841","2022-01-06","21:15:54",""
"7243907","15.3498","0.0004","15.3498","0.0004","84.37","0.003","90","","90","","120","","17215.7","0.9","173","2","173","2","","","","","","","","5","P 65","P 65","170","","","","- C108 H88 N18 O38 Zn3 -","- C108 H84 N18 O38 Zn3 -","- C648 H504 N108 O228 Zn18 -","6","1","","Park, Junmyeong; Kim, Dongwon; Kim, Dongwook; Jung, Ok-Sang","Pair of chiral molecular ladders and successive hydration in single-crystal-to-single-crystal mode","CrystEngComm","2021","23","48","8546","8552","10.1039/D1CE01332G","","","0.71073","MoKα","","0.1355","0.1171","","","0.2976","0.3111","","","","","","1.237","","","","has coordinates","271841","2022-01-06","21:15:54",""
"7243908","15.1763","0.0005","15.1763","0.0005","84.264","0.003","90","","90","","120","","16807.6","1","173","2","173","2","","","","","","","","5","P 61","P 61","169","","","","- C108 H84 N18 O38 Zn3 -","- C108 H84 N17.991 O37.973 Zn3 -","- C648 H504 N107.946 O227.838 Zn18 -","6","1","","Park, Junmyeong; Kim, Dongwon; Kim, Dongwook; Jung, Ok-Sang","Pair of chiral molecular ladders and successive hydration in single-crystal-to-single-crystal mode","CrystEngComm","2021","23","48","8546","8552","10.1039/D1CE01332G","","","0.71073","MoKα","","0.1654","0.1409","","","0.3414","0.3564","","","","","","1.34","","","","has coordinates,has disorder","271841","2022-01-06","21:15:54",""
"7243909","16.7706","0.0005","9.876","0.0003","30.6219","0.0009","90","","90","","90","","5071.8","0.3","165","","165","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H29 N O2 -","- C31 H29 N O2 -","- C248 H232 N8 O16 -","8","1","","Zhou, Lian; Meng, Wei; Sun, Lin; Du, Lin; Xuan, Xiaopeng; Zhang, Jun","Molecular motions of a tetraphenylethylene-derived AIEgen directly monitored through in situ variable temperature single crystal X-ray diffraction","CrystEngComm","2022","24","2","231","234","10.1039/D1CE01441B","","x-ray","0.71073","MoKα","","0.099","0.0796","","","0.188","0.1986","","","","","","1.119","","","","has coordinates,has disorder","272622","2022-02-04","19:22:45",""
"7243910","16.955","0.003","9.9034","0.0015","30.69","0.006","90","","90","","90","","5153.2","1.6","255","","255","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H29 N O2 -","- C31 H29 N O2 -","- C248 H232 N8 O16 -","8","1","","Zhou, Lian; Meng, Wei; Sun, Lin; Du, Lin; Xuan, Xiaopeng; Zhang, Jun","Molecular motions of a tetraphenylethylene-derived AIEgen directly monitored through in situ variable temperature single crystal X-ray diffraction","CrystEngComm","2022","24","2","231","234","10.1039/D1CE01441B","","x-ray","0.71073","MoKα","","0.1519","0.0645","","","0.1437","0.1887","","","","","","1.014","","","","has coordinates,has disorder","272622","2022-02-04","19:22:45",""
"7243911","16.8821","0.001","9.894","0.0005","30.6933","0.0019","90","","90","","90","","5126.7","0.5","225","","225","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H29 N O2 -","- C31 H29 N O2 -","- C248 H232 N8 O16 -","8","1","","Zhou, Lian; Meng, Wei; Sun, Lin; Du, Lin; Xuan, Xiaopeng; Zhang, Jun","Molecular motions of a tetraphenylethylene-derived AIEgen directly monitored through in situ variable temperature single crystal X-ray diffraction","CrystEngComm","2022","24","2","231","234","10.1039/D1CE01441B","","x-ray","0.71073","MoKα","","0.1222","0.0773","","","0.2072","0.2385","","","","","","1.084","","","","has coordinates,has disorder","272622","2022-02-04","19:22:45",""
"7243912","17.015","0.006","9.93","0.003","30.709","0.008","90","","90","","90","","5189","3","270","","270","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H29 N O2 -","- C31 H29 N O2 -","- C248 H232 N8 O16 -","8","1","","Zhou, Lian; Meng, Wei; Sun, Lin; Du, Lin; Xuan, Xiaopeng; Zhang, Jun","Molecular motions of a tetraphenylethylene-derived AIEgen directly monitored through in situ variable temperature single crystal X-ray diffraction","CrystEngComm","2022","24","2","231","234","10.1039/D1CE01441B","","x-ray","0.71073","MoKα","","0.1511","0.0652","","","0.146","0.1927","","","","","","1.02","","","","has coordinates,has disorder","272622","2022-02-04","19:22:45",""
"7243913","16.9294","0.0017","9.9015","0.0008","30.714","0.003","90","","90","","90","","5148.5","0.8","240","","240","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H29 N O2 -","- C31 H29 N O2 -","- C248 H232 N8 O16 -","8","1","","Zhou, Lian; Meng, Wei; Sun, Lin; Du, Lin; Xuan, Xiaopeng; Zhang, Jun","Molecular motions of a tetraphenylethylene-derived AIEgen directly monitored through in situ variable temperature single crystal X-ray diffraction","CrystEngComm","2022","24","2","231","234","10.1039/D1CE01441B","","x-ray","0.71073","MoKα","","0.1608","0.064","","","0.1591","0.2297","","","","","","1.057","","","","has coordinates,has disorder","272622","2022-02-04","19:22:45",""
"7243914","17.064","0.002","9.9101","0.0012","30.823","0.004","90","","90","","90","","5212.4","1.1","298","","298","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H29 N O2 -","- C31 H29 N O2 -","- C248 H232 N8 O16 -","8","1","","Zhou, Lian; Meng, Wei; Sun, Lin; Du, Lin; Xuan, Xiaopeng; Zhang, Jun","Molecular motions of a tetraphenylethylene-derived AIEgen directly monitored through in situ variable temperature single crystal X-ray diffraction","CrystEngComm","2022","24","2","231","234","10.1039/D1CE01441B","","x-ray","0.71073","MoKα","","0.171","0.0712","","","0.1615","0.2135","","","","","","1.024","","","","has coordinates","272622","2022-02-04","19:22:45",""
"7243915","16.988","0.004","9.9204","0.0018","30.779","0.006","90","","90","","90","","5187.1","1.8","285","","285","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H29 N O2 -","- C31 H29 N O2 -","- C248 H232 N8 O16 -","8","1","","Zhou, Lian; Meng, Wei; Sun, Lin; Du, Lin; Xuan, Xiaopeng; Zhang, Jun","Molecular motions of a tetraphenylethylene-derived AIEgen directly monitored through in situ variable temperature single crystal X-ray diffraction","CrystEngComm","2022","24","2","231","234","10.1039/D1CE01441B","","x-ray","0.71073","MoKα","","0.1616","0.0671","","","0.1496","0.1989","","","","","","1.019","","","","has coordinates,has disorder","272622","2022-02-04","19:22:45",""
"7243916","16.8302","0.0004","9.886","0.0002","30.6702","0.0008","90","","90","","90","","5103","0.2","195","","195","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H29 N O2 -","- C31 H29 N O2 -","- C248 H232 N8 O16 -","8","1","","Zhou, Lian; Meng, Wei; Sun, Lin; Du, Lin; Xuan, Xiaopeng; Zhang, Jun","Molecular motions of a tetraphenylethylene-derived AIEgen directly monitored through in situ variable temperature single crystal X-ray diffraction","CrystEngComm","2022","24","2","231","234","10.1039/D1CE01441B","","x-ray","0.71073","MoKα","","0.0957","0.0704","","","0.1609","0.1735","","","","","","1.118","","","","has coordinates,has disorder","272622","2022-02-04","19:22:45",""
"7243917","16.856","0.0004","9.8906","0.0003","30.6845","0.0009","90","","90","","90","","5115.6","0.2","210","","210","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H29 N O2 -","- C31 H29 N O2 -","- C248 H232 N8 O16 -","8","1","","Zhou, Lian; Meng, Wei; Sun, Lin; Du, Lin; Xuan, Xiaopeng; Zhang, Jun","Molecular motions of a tetraphenylethylene-derived AIEgen directly monitored through in situ variable temperature single crystal X-ray diffraction","CrystEngComm","2022","24","2","231","234","10.1039/D1CE01441B","","x-ray","0.71073","MoKα","","0.1036","0.0758","","","0.1725","0.1848","","","","","","1.134","","","","has coordinates,has disorder","272622","2022-02-04","19:22:45",""
"7243918","16.8024","0.0004","9.8815","0.0002","30.6532","0.0008","90","","90","","90","","5089.4","0.2","180","","180","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H29 N O2 -","- C31 H29 N O2 -","- C248 H232 N8 O16 -","8","1","","Zhou, Lian; Meng, Wei; Sun, Lin; Du, Lin; Xuan, Xiaopeng; Zhang, Jun","Molecular motions of a tetraphenylethylene-derived AIEgen directly monitored through in situ variable temperature single crystal X-ray diffraction","CrystEngComm","2022","24","2","231","234","10.1039/D1CE01441B","","x-ray","0.71073","MoKα","","0.0932","0.0704","","","0.1578","0.1696","","","","","","1.102","","","","has coordinates,has disorder","272622","2022-02-04","19:22:45",""
"7243919","32.7739","0.0005","32.7739","0.0005","73.5789","0.0011","90","","90","","120","","68444.8","1.8","130","2","130","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- Mo132 N25.8 O628.56 Se30 -","- Mo132 N25.8 O628.56 Se30 -","- Mo396 N77.4 O1885.68 Se90 -","3","0.166667","","Korenev, Vladimir S.; Dorovatovskii, Pavel V.; Lazarenko, Vladimir A.; Abramov, Pavel A.; Sokolov, Maxim N.","Structural features of selenate based {Mo132} keplerate capsules","CrystEngComm","2022","24","2","321","329","10.1039/D1CE01121A","","x-ray","0.71073","MoKα","","0.1164","0.0698","","","0.2187","0.2442","","","","","","1.149","","","","has coordinates","272623","2022-02-04","19:23:20",""
"7243920","50.337","0.007","50.337","0.007","61.099","0.012","90","","90","","120","","134072","4","100","2","100","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C21.8 H130.8 Cl3 Mo132 N65.4 O581.4 Se30 -","- C21.8 H130.8 Cl3 Mo132 N65.4 O581.4 Se30 -","- C130.8 H784.8 Cl18 Mo792 N392.4 O3488.4 Se180 -","6","0.166667","","Korenev, Vladimir S.; Dorovatovskii, Pavel V.; Lazarenko, Vladimir A.; Abramov, Pavel A.; Sokolov, Maxim N.","Structural features of selenate based {Mo132} keplerate capsules","CrystEngComm","2022","24","2","321","329","10.1039/D1CE01121A","","","0.79272","synchrotron","","0.1236","0.0921","","","0.2929","0.3187","","","","","","1.211","","","","has coordinates,has disorder","272623","2022-02-04","19:23:20",""
"7243921","8.3887","0.0007","10.3405","0.0009","11.1345","0.0011","80.652","0.001","89.883","0.002","80.627","0.001","940","0.15","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H5 Cd2 N7 O8 -","- C15 H7 Cd2 N7 O9 -","- C30 H14 Cd4 N14 O18 -","2","1","","Li, Jing; Zhao, Yun-Xiu; Wu, Qian; Yang, Hua; Lu, Jing; Ma, Hui-Yan; Wang, Su-Na; Li, Yun-Wu","A Cd-MOF fluorescence sensor with dual functional sites for efficient detection of metal ions in multifarious water environments","CrystEngComm","2021","23","47","8392","8403","10.1039/D1CE01308D","","","0.71073","MoKα","","0.1029","0.0945","","","0.2783","0.2999","","","","","","1.315","","","","has coordinates","271831","2022-01-06","21:13:20",""
"7243928","14.1916","0.0004","14.043","0.0005","26.3455","0.0006","90","","92.889","0.002","90","","5243.8","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H22 Co N3 O5 -","- C29 H22 Co N3 O5 -","- C232 H176 Co8 N24 O40 -","8","1","","Wen, Ming-Yue; Ren, Li; Cui, Guang-Hua","Two Co(ii) complexes containing pyridylbenzimidazole ligands as chemosensors for the sensing of levofloxacin, acetylacetone, and Ni2+ with high selectivity and sensitivity","CrystEngComm","2021","23","48","8563","8571","10.1039/D1CE01271A","","","0.71073","MoKα","","0.1103","0.0607","","","0.1516","0.1774","","","","","","1.03","","","","has coordinates","271840","2022-01-06","21:15:15",""
"7243929","12.622","0.0009","11.7644","0.0009","23.5657","0.0017","90","","95.079","0.006","90","","3485.5","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C76 H66 Co2 N14 O14 -","- C76 H66 Co2 N14 O14 -","- C152 H132 Co4 N28 O28 -","2","0.5","","Wen, Ming-Yue; Ren, Li; Cui, Guang-Hua","Two Co(ii) complexes containing pyridylbenzimidazole ligands as chemosensors for the sensing of levofloxacin, acetylacetone, and Ni2+ with high selectivity and sensitivity","CrystEngComm","2021","23","48","8563","8571","10.1039/D1CE01271A","","","0.71073","MoKα","","0.0844","0.0505","","","0.1148","0.1313","","","","","","1.028","","","","has coordinates,has disorder","271840","2022-01-06","21:15:15",""
"7243930","16.8783","0.0005","14.9191","0.0003","16.6035","0.0005","90","","108.071","0.003","90","","3974.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","sys-135-2","","- C44 H42 N6 O6 Zn -","- C44 H42 N6 O6 Zn -","- C176 H168 N24 O24 Zn4 -","4","1","","Su, Yu-Qiao; Wang, Ruo-Tong; Blatova, Olga A.; Shi, Yong-Sheng; Cui, Guang-Hua","Two robust Zn(ii)-organic frameworks as dual-functional fluorescent probes for efficient sensing of enrofloxacin and MnO4− anions","CrystEngComm","2022","24","1","182","191","10.1039/D1CE01447A","","","0.71073","MoKα","","0.1223","0.0709","","","0.11","0.1238","","","","","","1.06","","","","has coordinates","272605","2022-02-04","19:18:50",""
"7243931","10.8732","0.0006","15.9024","0.0009","17.0471","0.0007","105.773","0.004","103.099","0.004","91.265","0.004","2751.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","sys-109","","- C123 H93 N12 O22.5 Zn6 -","- C123 H93 N12 O22.5 Zn6 -","- C123 H93 N12 O22.5 Zn6 -","1","0.5","","Su, Yu-Qiao; Wang, Ruo-Tong; Blatova, Olga A.; Shi, Yong-Sheng; Cui, Guang-Hua","Two robust Zn(ii)-organic frameworks as dual-functional fluorescent probes for efficient sensing of enrofloxacin and MnO4− anions","CrystEngComm","2022","24","1","182","191","10.1039/D1CE01447A","","","0.71073","MoKα","","0.0543","0.0424","","","0.1056","0.1101","","","","","","1.117","","","","has coordinates,has disorder","272605","2022-02-04","19:18:50",""
"7243935","29.078","0.004","8.723","0.0012","12.0174","0.0016","90","","93.915","0.006","90","","3041.1","0.7","150","2","150","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C29.42 H25.64 F2 N5.21 O4 S2 -","- C29.424 H25.636 F2 N5.212 O4 S2 -","- C117.696 H102.544 F8 N20.848 O16 S8 -","4","1","","Voronin, Alexander P.; Vasilev, Nikita A.; Surov, Artem O.; Churakov, Andrei V.; Perlovich, German L.","Exploring the solid form landscape of the antifungal drug isavuconazole: crystal structure analysis, phase transformation behavior and dissolution performance","CrystEngComm","2021","23","48","8513","8526","10.1039/D1CE01353J","","","0.71073","MoKα","","0.0745","0.0623","","","0.1397","0.1454","","","","","","1.05","","","","has coordinates,has disorder","271842","2022-01-06","21:16:07",""
"7243936","7.892","0.0002","11.2256","0.0003","24.2967","0.0006","90","","90","","90","","2152.5","0.1","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 F2 N5 O2 S -","- C22 H19 F2 N5 O2 S -","- C88 H76 F8 N20 O8 S4 -","4","1","","Voronin, Alexander P.; Vasilev, Nikita A.; Surov, Artem O.; Churakov, Andrei V.; Perlovich, German L.","Exploring the solid form landscape of the antifungal drug isavuconazole: crystal structure analysis, phase transformation behavior and dissolution performance","CrystEngComm","2021","23","48","8513","8526","10.1039/D1CE01353J","","","0.71073","MoKα","","0.031","0.0285","","","0.0697","0.0711","","","","","","1.035","","","","has coordinates","271842","2022-01-06","21:16:07",""
"7243937","5.825","0.0003","17.3293","0.0008","9.7547","0.0004","90","","97.072","0.002","90","","977.18","0.08","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H17 F2 N5 O S -","- C22 H17 F2 N5 O S -","- C44 H34 F4 N10 O2 S2 -","2","1","","Voronin, Alexander P.; Vasilev, Nikita A.; Surov, Artem O.; Churakov, Andrei V.; Perlovich, German L.","Exploring the solid form landscape of the antifungal drug isavuconazole: crystal structure analysis, phase transformation behavior and dissolution performance","CrystEngComm","2021","23","48","8513","8526","10.1039/D1CE01353J","","","0.71073","MoKα","","0.0269","0.0258","","","0.0655","0.0663","","","","","","1.053","","","","has coordinates","271842","2022-01-06","21:16:07",""
"7243938","6.1215","0.0003","11.1722","0.0005","34.3989","0.0017","90","","90","","90","","2352.56","0.19","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 F2 N5 O5 P S -","- C22 H20 F2 N5 O5 P S -","- C88 H80 F8 N20 O20 P4 S4 -","4","1","","Voronin, Alexander P.; Vasilev, Nikita A.; Surov, Artem O.; Churakov, Andrei V.; Perlovich, German L.","Exploring the solid form landscape of the antifungal drug isavuconazole: crystal structure analysis, phase transformation behavior and dissolution performance","CrystEngComm","2021","23","48","8513","8526","10.1039/D1CE01353J","","","0.71073","MoKα","","0.0292","0.0276","","","0.066","0.067","","","","","","1.062","","","","has coordinates,has disorder","271842","2022-01-06","21:16:07",""
"7243939","17.497","0.005","17.497","0.005","17.497","0.005","90","","90","","90","","5357","3","293","","293","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","zinc;2-methylimidazol-3-ide","","- C8 H10 N4 Zn -","- C8 H10 N4 Zn -","- C96 H120 N48 Zn12 -","12","0.25","","Ito, Sho; White, Fraser J.; Okunishi, Eiji; Aoyama, Yoshitaka; Yamano, Akihito; Sato, Hiroyasu; Ferrara, Joseph D.; Jasnowski, Michał; Meyer, Mathias","Structure determination of small molecule compounds by an electron diffractometer for 3D ED/MicroED","CrystEngComm","2021","23","48","8622","8630","10.1039/D1CE01172C","","electron","0.0251","200keVelectrons","","0.1644","0.1137","","","0.2787","0.3136","","","","","","1.089","","","","has coordinates,has disorder","283751","2023-05-14","07:37:52",""
"7243940","7.0688","0.0011","7.0688","0.0011","4.157","0.0016","90","","90","","90","","207.72","0.09","293","","293","","","","","","","","","3","P 4/m m m","-P 4 2","123","","","","- Cl4 K2 Pt -","- Cl4 K2 Pt -","- Cl4 K2 Pt -","1","0.0625","","Ito, Sho; White, Fraser J.; Okunishi, Eiji; Aoyama, Yoshitaka; Yamano, Akihito; Sato, Hiroyasu; Ferrara, Joseph D.; Jasnowski, Michał; Meyer, Mathias","Structure determination of small molecule compounds by an electron diffractometer for 3D ED/MicroED","CrystEngComm","2021","23","48","8622","8630","10.1039/D1CE01172C","","electron","0.0251","200keVelectrons","","0.1652","0.1652","","","0.4466","0.4466","","","","","","3.167","","","","has coordinates","271839","2022-01-06","21:15:03",""
"7243941","13.507","0.01","11.432","0.007","11.114","0.009","90","","109.81","0.07","90","","1615","2","293","","293","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","2,4,6-tripyridin-4-yl-1,3,5-triazine","","- C18 H12 N6 -","- C18 H12 N6 -","- C72 H48 N24 -","4","0.5","","Ito, Sho; White, Fraser J.; Okunishi, Eiji; Aoyama, Yoshitaka; Yamano, Akihito; Sato, Hiroyasu; Ferrara, Joseph D.; Jasnowski, Michał; Meyer, Mathias","Structure determination of small molecule compounds by an electron diffractometer for 3D ED/MicroED","CrystEngComm","2021","23","48","8622","8630","10.1039/D1CE01172C","","electron","0.0251","200keVelectrons","","0.2375","0.19","","","0.4192","0.4328","","","","","","2.477","","","","has coordinates","271839","2022-01-06","21:15:03",""
"7243942","5.1022","0.0018","13.858","0.005","14.596","0.005","90","","90","","90","","1032","0.6","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one","","- C9 H12 N3 O5 -","- C9 H12 N3 O5 -","- C36 H48 N12 O20 -","4","1","","Ito, Sho; White, Fraser J.; Okunishi, Eiji; Aoyama, Yoshitaka; Yamano, Akihito; Sato, Hiroyasu; Ferrara, Joseph D.; Jasnowski, Michał; Meyer, Mathias","Structure determination of small molecule compounds by an electron diffractometer for 3D ED/MicroED","CrystEngComm","2021","23","48","8622","8630","10.1039/D1CE01172C","","electron","0.0251","200keVelectrons","","0.1583","0.0988","","","0.2293","0.2634","","","","","","1.044","","","","has coordinates","271839","2022-01-06","21:15:03",""
"7243943","7.8","0.5","20.2","0.2","11.5","0.2","90","","90","","90","","1812","12","293","","293","","","","","","","","","2","P n a 21","P 2c -2n","33","","1,3,5-triphenylbenzene","","- C24 H18 -","- C24 H18 -","- C96 H72 -","4","1","","Ito, Sho; White, Fraser J.; Okunishi, Eiji; Aoyama, Yoshitaka; Yamano, Akihito; Sato, Hiroyasu; Ferrara, Joseph D.; Jasnowski, Michał; Meyer, Mathias","Structure determination of small molecule compounds by an electron diffractometer for 3D ED/MicroED","CrystEngComm","2021","23","48","8622","8630","10.1039/D1CE01172C","","electron","0.0251","200keVelectrons","","0.1722","0.1067","","","0.2658","0.3098","","","","","","1.031","","","","has coordinates","271839","2022-01-06","21:15:03",""
"7243944","6.66","0.19","13.2","0.3","26.77","0.12","90","","90","","90","","2353","9","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-tert-butyl-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide","","- C23 H36 N2 O2 -","- C23 H36 N2 O2 -","- C92 H144 N8 O8 -","4","1","","Ito, Sho; White, Fraser J.; Okunishi, Eiji; Aoyama, Yoshitaka; Yamano, Akihito; Sato, Hiroyasu; Ferrara, Joseph D.; Jasnowski, Michał; Meyer, Mathias","Structure determination of small molecule compounds by an electron diffractometer for 3D ED/MicroED","CrystEngComm","2021","23","48","8622","8630","10.1039/D1CE01172C","","electron","0.0251","200keVelectrons","","0.1799","0.1351","","","0.2804","0.3083","","","","","","1.086","","","","has coordinates","271839","2022-01-06","21:15:03",""
"7243945","9.146","0.004","9.99","0.005","13.028","0.005","93.78","0.04","97","0.04","101.72","0.04","1151.8","0.9","293","","293","","","","","","","","","6","P -1","-P 1","2","","N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine","","- C22 H24 Cl F N4 O3 -","- C22 H24 Cl F N4 O3 -","- C44 H48 Cl2 F2 N8 O6 -","2","1","","Ito, Sho; White, Fraser J.; Okunishi, Eiji; Aoyama, Yoshitaka; Yamano, Akihito; Sato, Hiroyasu; Ferrara, Joseph D.; Jasnowski, Michał; Meyer, Mathias","Structure determination of small molecule compounds by an electron diffractometer for 3D ED/MicroED","CrystEngComm","2021","23","48","8622","8630","10.1039/D1CE01172C","","electron","0.0251","200keVelectrons","","0.208","0.1545","","","0.3466","0.3697","","","","","","2.167","","","","has coordinates","271839","2022-01-06","21:15:03",""
"7243946","8.302","0.003","10.025","0.006","10.638","0.006","115.25","0.06","91.67","0.05","95.51","0.04","794.7","0.8","293","","293.15","","","","","","","","","6","P -1","-P 1","2","","N-(2,6-difluorophenyl)-8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide","","- C12 H8 F3 N5 O3 S -","- C12 H8 F3 N5 O3 S -","- C24 H16 F6 N10 O6 S2 -","2","1","","Ito, Sho; White, Fraser J.; Okunishi, Eiji; Aoyama, Yoshitaka; Yamano, Akihito; Sato, Hiroyasu; Ferrara, Joseph D.; Jasnowski, Michał; Meyer, Mathias","Structure determination of small molecule compounds by an electron diffractometer for 3D ED/MicroED","CrystEngComm","2021","23","48","8622","8630","10.1039/D1CE01172C","","electron","0.0251","200keVelectrons","","0.2143","0.1602","","","0.363","0.3769","","","","","","2.269","","","","has coordinates","271839","2022-01-06","21:15:03",""
"7243947","5.96","0.09","7.09","0.14","21.59","0.15","90","","90","","90","","912","2","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-amino-3-(4-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)(1,2,3-13C3)propanoic acid","","- C9 H11 N O3 -","- C9 H11 N O3 -","- C36 H44 N4 O12 -","4","1","","Ito, Sho; White, Fraser J.; Okunishi, Eiji; Aoyama, Yoshitaka; Yamano, Akihito; Sato, Hiroyasu; Ferrara, Joseph D.; Jasnowski, Michał; Meyer, Mathias","Structure determination of small molecule compounds by an electron diffractometer for 3D ED/MicroED","CrystEngComm","2021","23","48","8622","8630","10.1039/D1CE01172C","","electron","0.0251","200keVelectrons","","0.1455","0.1363","","","0.318","0.3235","","","","","","1.116","","","","has coordinates","271839","2022-01-06","21:15:03",""
"7243948","5.177","0.002","10.691","0.005","15.272","0.007","90","","90","","90","","845.3","0.6","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Ito, Sho; White, Fraser J.; Okunishi, Eiji; Aoyama, Yoshitaka; Yamano, Akihito; Sato, Hiroyasu; Ferrara, Joseph D.; Jasnowski, Michał; Meyer, Mathias","Structure determination of small molecule compounds by an electron diffractometer for 3D ED/MicroED","CrystEngComm","2021","23","48","8622","8630","10.1039/D1CE01172C","","electron","0.0251","200keVelectrons","","0.1663","0.1194","","","0.3194","0.3469","","","","","","1.156","","","","has coordinates","271839","2022-01-06","21:15:03",""
"7243949","7.344","0.005","9.645","0.006","12.087","0.007","90","","97.37","0.05","90","","849.1","0.9","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-(4-hydroxyphenyl)acetamide","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","","Ito, Sho; White, Fraser J.; Okunishi, Eiji; Aoyama, Yoshitaka; Yamano, Akihito; Sato, Hiroyasu; Ferrara, Joseph D.; Jasnowski, Michał; Meyer, Mathias","Structure determination of small molecule compounds by an electron diffractometer for 3D ED/MicroED","CrystEngComm","2021","23","48","8622","8630","10.1039/D1CE01172C","","electron","0.0251","200keVelectrons","","0.1471","0.1202","","","0.3152","0.3394","","","","","","1.074","","","","has coordinates","271839","2022-01-06","21:15:03",""
"7243950","26.34","0.1","7.03","0.1","14.16","0.16","90","","90","","90","","2622","5","293","","293","","","","","","","","","2","C m c e","-C 2ac 2","64","","5,6,11,12-tetraphenyltetracene","","- C42 H28 -","- C42 H28 -","- C168 H112 -","4","0.25","","Ito, Sho; White, Fraser J.; Okunishi, Eiji; Aoyama, Yoshitaka; Yamano, Akihito; Sato, Hiroyasu; Ferrara, Joseph D.; Jasnowski, Michał; Meyer, Mathias","Structure determination of small molecule compounds by an electron diffractometer for 3D ED/MicroED","CrystEngComm","2021","23","48","8622","8630","10.1039/D1CE01172C","","electron","0.0251","200keVelectrons","","0.1178","0.092","","","0.2275","0.2452","","","","","","1.111","","","","has coordinates","271839","2022-01-06","21:15:03",""
"7243951","9.25","0.12","19.99","0.19","9.66","0.1","90","","111.6","0.8","90","","1661","3","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H28 Fe N10 -","- C42 H28 Fe N10 -","- C84 H56 Fe2 N20 -","2","0.5","","Ito, Sho; White, Fraser J.; Okunishi, Eiji; Aoyama, Yoshitaka; Yamano, Akihito; Sato, Hiroyasu; Ferrara, Joseph D.; Jasnowski, Michał; Meyer, Mathias","Structure determination of small molecule compounds by an electron diffractometer for 3D ED/MicroED","CrystEngComm","2021","23","48","8622","8630","10.1039/D1CE01172C","","electron","0.0251","200keVelectrons","","0.1773","0.1659","","","0.3547","0.3604","","","","","","1.276","","","","has coordinates","271839","2022-01-06","21:15:03",""
"7243952","8.1229","0.0002","3.9138","0.0001","15.0718","0.0004","90","","92.013","0.002","90","","478.86","0.02","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C6 Cl5 I -","- C6 Cl5 I -","- C12 Cl10 I2 -","2","0.5","","Shapiro, Nicole M.; Bosch, Eric; Unruh, Daniel K.; Krueger, Herman R.; Groeneman, Ryan H.","Iodoperchlorobenzene acts as a dual halogen-bond donor to template a [2 + 2] cycloaddition reaction within an organic co-crystal","CrystEngComm","2021","23","47","8265","8268","10.1039/D1CE01194D","","x-ray","1.54184","CuKα","","0.028","0.026","","","0.0663","0.0674","","","","","","1.112","","","","has coordinates,has disorder","271828","2022-01-06","21:12:43",""
"7243953","3.9516","0.0001","11.1045","0.0002","12.2703","0.0003","112.085","0.002","91.11","0.002","96.392","0.002","494.72","0.02","290","0.1","290","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C18 H8 Cl5 I N2 -","- C18 H8 Cl5 I N2 -","- C18 H8 Cl5 I N2 -","1","0.5","","Shapiro, Nicole M.; Bosch, Eric; Unruh, Daniel K.; Krueger, Herman R.; Groeneman, Ryan H.","Iodoperchlorobenzene acts as a dual halogen-bond donor to template a [2 + 2] cycloaddition reaction within an organic co-crystal","CrystEngComm","2021","23","47","8265","8268","10.1039/D1CE01194D","","x-ray","1.54184","CuKα","","0.0268","0.0252","","","0.0633","0.0643","","","","","","1.075","","","","has coordinates,has disorder","271828","2022-01-06","21:12:44",""
"7243954","3.9144","0.0001","10.6909","0.0001","12.4925","0.0002","111.51","0.001","93.205","0.001","91.807","0.001","484.858","0.016","290","0.1","290","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C16 H8 Cl5 I N4 -","- C16 H8 Cl5 I N4 -","- C16 H8 Cl5 I N4 -","1","0.5","","Shapiro, Nicole M.; Bosch, Eric; Unruh, Daniel K.; Krueger, Herman R.; Groeneman, Ryan H.","Iodoperchlorobenzene acts as a dual halogen-bond donor to template a [2 + 2] cycloaddition reaction within an organic co-crystal","CrystEngComm","2021","23","47","8265","8268","10.1039/D1CE01194D","","x-ray","1.54184","CuKα","","0.0281","0.0272","","","0.0751","0.0758","","","","","","1.076","","","","has coordinates,has disorder","271828","2022-01-06","21:12:44",""
"7243955","3.9746","0.0001","10.7984","0.0002","12.4426","0.0003","111.056","0.002","93.327","0.002","93.491","0.002","495.61","0.02","290","0.1","290","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C18 H10 Cl5 I N2 -","- C18 H10 Cl5 I N2 -","- C18 H10 Cl5 I N2 -","1","0.5","","Shapiro, Nicole M.; Bosch, Eric; Unruh, Daniel K.; Krueger, Herman R.; Groeneman, Ryan H.","Iodoperchlorobenzene acts as a dual halogen-bond donor to template a [2 + 2] cycloaddition reaction within an organic co-crystal","CrystEngComm","2021","23","47","8265","8268","10.1039/D1CE01194D","","x-ray","1.54184","CuKα","","0.0298","0.0281","","","0.0724","0.074","","","","","","1.056","","","","has coordinates,has disorder","271828","2022-01-06","21:12:44",""
"7243956","12.4079","0.0008","20.8937","0.0014","19.4442","0.0012","90","","90.801","0.002","90","","5040.4","0.6","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C89.5 H112.5 N2.5 O41 Yb6 -","- C88 H104 N2 O38 Yb6 -","- C176 H208 N4 O76 Yb12 -","2","0.5","","Slyusarchuk, Valentyna D.; Hawes, Chris S.","Fecht's acid revisited: a spirocyclic dicarboxylate for non-aromatic MOFs","CrystEngComm","2022","24","3","484","490","10.1039/D1CE01542G","","","0.71073","MoKα","","0.0952","0.0599","","","0.1442","0.1657","","","","","","1.022","","","","has coordinates,has disorder","272637","2022-02-04","19:26:46",""
"7243957","11.3429","0.001","12.4311","0.001","18.5115","0.0014","90","","90","","90","","2610.2","0.4","150","","150","","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C25 H32 N3.33 O6.67 Zn -","- C21 H20 N2 O4 Zn -","- C84 H80 N8 O16 Zn4 -","4","0.5","","Slyusarchuk, Valentyna D.; Hawes, Chris S.","Fecht's acid revisited: a spirocyclic dicarboxylate for non-aromatic MOFs","CrystEngComm","2022","24","3","484","490","10.1039/D1CE01542G","","","0.71073","MoKα","","0.0758","0.0501","","","0.1293","0.1502","","","","","","1.053","","","","has coordinates,has disorder","272637","2022-02-04","19:26:46",""
"7243966","12.9504","0.0007","12.8021","0.0006","6.8288","0.0004","90","","94.149","0.005","90","","1129.2","0.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H6 O6 Tb -","- C13 H6 O6 Tb -","- C52 H24 O24 Tb4 -","4","1","","Qiu, Miao-Miao; Chen, Ke-Fu; Liu, Qi-Rui; Miao, Wei-Ni; Liu, Bing; Xu, Ling","A ratiometric fluorescent sensor made of a terbium coordination polymer for the anthrax biomarker 2,6-dipicolinic acid with on-site detection assisted by a smartphone app","CrystEngComm","2022","24","1","132","142","10.1039/D1CE01256H","","","1.54178","CuKα","","0.0525","0.0456","","","0.1188","0.125","","","","","","1.064","","","","has coordinates","272600","2022-02-04","19:17:34",""
"7243970","11.5136","0.0005","14.4562","0.0005","16.368","0.0006","75.824","0.003","85.556","0.003","89.48","0.003","2633.3","0.18","99.99","0.1","99.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C60 H50 N10 O4 -","- C60 H54 N10 O4 -","- C120 H108 N20 O8 -","2","1","","Liang, Qiong-Fang; Zheng, Han-Wen; Yang, Dong-Dong; Zheng, Xiang-Jun","A triphenylamine derivative and its Cd(ii) complex with high-contrast mechanochromic luminescence and vapochromism","CrystEngComm","2022","24","3","543","551","10.1039/D1CE01319J","","x-ray","1.54184","CuKα","","0.0949","0.0727","","","0.1927","0.2035","","","","","","1.249","","","","has coordinates","272629","2022-02-04","19:24:26",""
"7243971","7.2058","0.0002","7.774","0.0003","20.4876","0.0007","86.501","0.003","89.897","0.003","83.117","0.003","1137.26","0.07","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C26 H21 Cd0.5 Cl N3 O2 -","- C26 H21 Cd0.5 Cl N3 O2 -","- C52 H42 Cd Cl2 N6 O4 -","2","1","","Liang, Qiong-Fang; Zheng, Han-Wen; Yang, Dong-Dong; Zheng, Xiang-Jun","A triphenylamine derivative and its Cd(ii) complex with high-contrast mechanochromic luminescence and vapochromism","CrystEngComm","2022","24","3","543","551","10.1039/D1CE01319J","","x-ray","1.54184","CuKα","","0.0551","0.0481","","","0.1288","0.1306","","","","","","1.158","","","","has coordinates","272629","2022-02-04","19:24:26",""
"7243972","25.0401","0.0008","13.9581","0.0004","14.3689","0.0004","90","","102.219","0.001","90","","4908.3","0.3","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H23 Eu N3 O11 -","- C17 H23 Eu N3 O11 -","- C136 H184 Eu8 N24 O88 -","8","1","","Hang, Meng-Ting; Cheng, Yi; Wang, Yi-Tong; Li, Huan; Zheng, Meng-Qi; He, Ming-Yang; Chen, Qun; Zhang, Zhi-Hui","Rational synthesis of isomorphic rare earth metal–organic framework materials for simultaneous adsorption and photocatalytic degradation of organic dyes in water","CrystEngComm","2022","24","3","552","559","10.1039/D1CE01411K","","","0.71073","MoKα","","0.0678","0.0497","","","0.1093","0.1182","","","","","","1.078","","","","has coordinates","272633","2022-02-04","19:25:29",""
"7243973","8.4045","0.001","8.6975","0.0009","9.854","0.0013","64.455","0.003","86.316","0.004","74.126","0.004","623.92","0.13","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H10 Ca N2 O7 -","- C11 H10 Ca N2 O7 -","- C22 H20 Ca2 N4 O14 -","2","1","","Teixeira, Michaël; Maia, Renata A.; Karmazin, Lydia; Louis, Benoît; Baudron, Stéphane A.","Ionothermal synthesis of calcium-based metal–organic frameworks in a deep eutectic solvent","CrystEngComm","2022","24","3","601","608","10.1039/D1CE01497H","","","0.71073","MoKα","","0.0904","0.0637","","","0.168","0.1819","","","","","","1.093","","","","has coordinates","272636","2022-02-04","19:26:35",""
"7243974","17.7069","0.0008","10.4537","0.0008","9.3801","0.0006","90","","92.379","0.004","90","","1734.78","0.19","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H16 Ca N4 O8 -","- C14 H16 Ca N4 O8 -","- C56 H64 Ca4 N16 O32 -","4","0.5","","Teixeira, Michaël; Maia, Renata A.; Karmazin, Lydia; Louis, Benoît; Baudron, Stéphane A.","Ionothermal synthesis of calcium-based metal–organic frameworks in a deep eutectic solvent","CrystEngComm","2022","24","3","601","608","10.1039/D1CE01497H","","","0.71073","MoKα","","0.0419","0.0367","","","0.094","0.0982","","","","","","1.064","","","","has coordinates","272636","2022-02-04","19:26:35",""
"7243975","10.628","0.002","13.31","0.003","13.741","0.003","79.741","0.006","73.155","0.006","71.586","0.005","1757.1","0.6","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H34 Ca2 N8 O17 -","- C28 H34 Ca2 N8 O17 -","- C56 H68 Ca4 N16 O34 -","2","1","","Teixeira, Michaël; Maia, Renata A.; Karmazin, Lydia; Louis, Benoît; Baudron, Stéphane A.","Ionothermal synthesis of calcium-based metal–organic frameworks in a deep eutectic solvent","CrystEngComm","2022","24","3","601","608","10.1039/D1CE01497H","","","0.71073","MoKα","","0.1592","0.1062","","","0.2921","0.3345","","","","","","1.051","","","","has coordinates","272636","2022-02-04","19:26:35",""
"7243976","6.7109","0.0003","10.271","0.0004","17.775","0.0007","90","","90","","90","","1225.19","0.09","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 Ca N2 O5 -","- C11 H10 Ca N2 O5 -","- C44 H40 Ca4 N8 O20 -","4","1","","Teixeira, Michaël; Maia, Renata A.; Karmazin, Lydia; Louis, Benoît; Baudron, Stéphane A.","Ionothermal synthesis of calcium-based metal–organic frameworks in a deep eutectic solvent","CrystEngComm","2022","24","3","601","608","10.1039/D1CE01497H","","","0.71073","MoKα","","0.0688","0.0594","","","0.1396","0.1436","","","","","","1.199","","","","has coordinates","272636","2022-02-04","19:26:35",""
"7243977","7.0098","0.0002","10.9304","0.0003","16.616","0.0005","92.618","0.001","99.659","0.001","102.704","0.001","1219.82","0.06","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 Ca2 N4 O10 -","- C22 H20 Ca2 N4 O10 -","- C44 H40 Ca4 N8 O20 -","2","1","","Teixeira, Michaël; Maia, Renata A.; Karmazin, Lydia; Louis, Benoît; Baudron, Stéphane A.","Ionothermal synthesis of calcium-based metal–organic frameworks in a deep eutectic solvent","CrystEngComm","2022","24","3","601","608","10.1039/D1CE01497H","","","0.71073","MoKα","","0.0401","0.0325","","","0.0777","0.0821","","","","","","1.045","","","","has coordinates","272636","2022-02-04","19:26:35",""
"7243978","6.8835","0.0004","17.9272","0.0011","20.4957","0.0013","90","","90.043","0.003","90","","2529.2","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 Ca2 N4 O10 -","- C22 H20 Ca2 N4 O10 -","- C88 H80 Ca8 N16 O40 -","4","1","","Teixeira, Michaël; Maia, Renata A.; Karmazin, Lydia; Louis, Benoît; Baudron, Stéphane A.","Ionothermal synthesis of calcium-based metal–organic frameworks in a deep eutectic solvent","CrystEngComm","2022","24","3","601","608","10.1039/D1CE01497H","","","0.71073","MoKα","","0.0788","0.055","","","0.1364","0.1487","","","","","","1.067","","","","has coordinates","272636","2022-02-04","19:26:35",""
"7243980","19.824","0.0007","13.4404","0.0005","13.6238","0.0005","90","","119.291","0.001","90","","3165.9","0.2","199","2","199","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H13 Cl In N O7 -","- C14 H13 Cl In N O7 -","- C112 H104 Cl8 In8 N8 O56 -","8","1","","Guo, Xiuli; Li, Zhenhua; Chen, Xiaobo; Liang, Dadong; Li, Chunguang; Li, Guanghua; Wang, Li; Shi, Zhan; Feng, Shouhua","Stable isomeric layered indium coordination polymers for high proton conduction","CrystEngComm","2022","24","2","294","299","10.1039/D1CE01107C","","","0.71073","MoKα","","0.0208","0.0205","","","0.0485","0.0487","","","","","","1.09","","","","has coordinates","272625","2022-02-04","19:23:44",""
"7243981","19.849","0.002","13.4206","0.0015","13.6014","0.0015","90","","119.38","0.002","90","","3157.2","0.6","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H11 In N2 O9 -","- C14 H11 In N2 O9 -","- C112 H88 In8 N16 O72 -","8","1","","Guo, Xiuli; Li, Zhenhua; Chen, Xiaobo; Liang, Dadong; Li, Chunguang; Li, Guanghua; Wang, Li; Shi, Zhan; Feng, Shouhua","Stable isomeric layered indium coordination polymers for high proton conduction","CrystEngComm","2022","24","2","294","299","10.1039/D1CE01107C","","","0.71073","MoKα","","0.0799","0.0709","","","0.1605","0.1648","","","","","","1.192","","","","has coordinates,has disorder","272625","2022-02-04","19:23:44",""
"7243990","11.8741","0.0005","8.4164","0.0003","12.6736","0.0006","90","","90","","90","","1266.56","0.09","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C8 H24 Cl N O4 -","- C8 H24 Cl N O4 -","- C32 H96 Cl4 N4 O16 -","4","1","","Navasardyan, Mger A.; Bezzubov, Stanislav I.; Medvedev, Alexander G.; Prikhodchenko, Petr V.; Churakov, Andrei V.","Novel peroxosolvates of tetraalkylammonium halides: the first case of layers containing hydrogen-bonded peroxide molecules","CrystEngComm","2022","24","1","38","42","10.1039/D1CE01476E","","","0.71073","MoKα","","0.0366","0.0359","","","0.1005","0.1013","","","","","","1.042","","","","has coordinates","272598","2022-02-04","19:17:17",""
"7243991","7.242","0.0003","10.069","0.0004","14.7992","0.0006","90","","100.379","0.002","90","","1061.5","0.07","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H16 Cl N O2 -","- C9 H16 Cl N O2 -","- C36 H64 Cl4 N4 O8 -","4","1","","Navasardyan, Mger A.; Bezzubov, Stanislav I.; Medvedev, Alexander G.; Prikhodchenko, Petr V.; Churakov, Andrei V.","Novel peroxosolvates of tetraalkylammonium halides: the first case of layers containing hydrogen-bonded peroxide molecules","CrystEngComm","2022","24","1","38","42","10.1039/D1CE01476E","","","0.71073","MoKα","","0.0302","0.027","","","0.0713","0.0735","","","","","","1.045","","","","has coordinates","272598","2022-02-04","19:17:17",""
"7243992","7.5628","0.0002","9.9033","0.0003","25.3929","0.0007","90","","90","","90","","1901.84","0.09","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H15 Cl2 N O2 -","- C5 H15 Cl2 N O2 -","- C40 H120 Cl16 N8 O16 -","8","2","","Navasardyan, Mger A.; Bezzubov, Stanislav I.; Medvedev, Alexander G.; Prikhodchenko, Petr V.; Churakov, Andrei V.","Novel peroxosolvates of tetraalkylammonium halides: the first case of layers containing hydrogen-bonded peroxide molecules","CrystEngComm","2022","24","1","38","42","10.1039/D1CE01476E","","","0.71073","MoKα","","0.0189","0.0187","","","0.0492","0.0493","","","","","","1.063","","","","has coordinates","272598","2022-02-04","19:17:17",""
"7243993","12.0887","0.0006","8.5504","0.0005","12.7308","0.0007","90","","90","","90","","1315.9","0.12","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C8 H24 Br N O4 -","- C8 H24 Br N O4 -","- C32 H96 Br4 N4 O16 -","4","1","","Navasardyan, Mger A.; Bezzubov, Stanislav I.; Medvedev, Alexander G.; Prikhodchenko, Petr V.; Churakov, Andrei V.","Novel peroxosolvates of tetraalkylammonium halides: the first case of layers containing hydrogen-bonded peroxide molecules","CrystEngComm","2022","24","1","38","42","10.1039/D1CE01476E","","","0.71073","MoKα","","0.0219","0.0198","","","0.0422","0.0429","","","","","","1.023","","","","has coordinates","272598","2022-02-04","19:17:17",""
"7243994","7.5119","0.0001","7.5163","0.0002","17.4195","0.0003","90","","101.945","0.002","90","","962.24","0.03","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H20 N2 O6 -","- C21 H20 N2 O6 -","- C42 H40 N4 O12 -","2","1","","Aitipamula, Srinivasulu; Shan, Loke Pei; Gupta, Krishna M.","Polymorphism and distinct physicochemical properties of the phloretin–nicotinamide cocrystal","CrystEngComm","2022","24","3","560","570","10.1039/D1CE01352A","","x-ray","1.54184","CuKα","","0.0449","0.0438","","","0.1075","0.1091","","","","","","1.052","","","","has coordinates","272628","2022-02-04","19:24:18",""
"7243995","19.7947","0.0004","9.4219","0.0002","3.5826","0.0001","90","0.0016","98.7506","0.0016","90","0.0017","660.39","0.03","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","4,4'-dinitrobiphenyl:biphenyl","","- C10 H7 N O2 -","- C24 H18 N2 O4 -","- C48 H36 N4 O8 -","2","0.5","","Rekis, Toms; Ramakrishnan, Sitaram; Kotla, Surya Rohith; Bao, Jin-Ke; Eisele, Claudio; Schönleber, Andreas; Noohinejad, Leila; Paulmann, Carsten; Tolkiehn, Martin; van Smaalen, Sander","Une étude cristallographique: superspace description of a commensurate composite cocrystal of 4,4′-dinitrobiphenyl and biphenyl","CrystEngComm","2022","24","3","512","517","10.1039/D1CE01223A","","x-ray","0.5","synchrotron","","0.0562","0.0539","","","0.0732","0.0734","","","","4.4","4.4","4.14","","","","has coordinates","272641","2022-02-04","19:29:19",""
"7243996","19.7858","0.0008","9.397","0.0005","3.5684","0.0002","89.986","0.004","98.729","0.004","89.982","0.004","655.78","0.06","20","","20","","","","","","","","","4","C 1","C 1","1","","4,4'-dinitrobiphenyl:biphenyl","","- C10 H7 N O2 -","- C24 H18 N2 O4 -","- C48 H36 N4 O8 -","2","","","Rekis, Toms; Ramakrishnan, Sitaram; Kotla, Surya Rohith; Bao, Jin-Ke; Eisele, Claudio; Schönleber, Andreas; Noohinejad, Leila; Paulmann, Carsten; Tolkiehn, Martin; van Smaalen, Sander","Une étude cristallographique: superspace description of a commensurate composite cocrystal of 4,4′-dinitrobiphenyl and biphenyl","CrystEngComm","2022","24","3","512","517","10.1039/D1CE01223A","","x-ray","0.5","synchrotron","","0.0537","0.0479","","","0.0622","0.0625","","","","3.96","3.96","3.73","","","","has coordinates","272641","2022-02-04","19:29:19",""
"7243997","16.733","0.0005","12.1818","0.0003","17.9613","0.0005","90","","91","0.002","90","","3660.64","0.17","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C34 H41 Co F3 N5 O12 S -","- C34 H41 Co F3 N5 O12 S -","- C136 H164 Co4 F12 N20 O48 S4 -","4","1","","Melvin, Marissa K.; Skelton, Brian W.; Eggers, Paul K.; Raston, Colin L.","Synthesis, crystallization and Hirshfeld surface analysis of transition metal carboxylate pentapyridines","CrystEngComm","2022","24","1","57","69","10.1039/D1CE01248G","","x-ray","0.71073","MoKα","","0.0471","0.0413","","","0.0885","0.0927","","","","","","1.031","","","","has coordinates","272602","2022-02-04","19:17:49",""
"7243998","12.5531","0.0004","13.0741","0.0004","14.6993","0.0005","68.163","0.003","65.87","0.003","64.215","0.003","1926.33","0.12","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H66 Cu4 F12 N10 O26 S4 -","- C64 H66 Cu4 F12 N10 O26 S4 -","- C64 H66 Cu4 F12 N10 O26 S4 -","1","0.5","","Melvin, Marissa K.; Skelton, Brian W.; Eggers, Paul K.; Raston, Colin L.","Synthesis, crystallization and Hirshfeld surface analysis of transition metal carboxylate pentapyridines","CrystEngComm","2022","24","1","57","69","10.1039/D1CE01248G","","x-ray","1.54178","CuKα","","0.0448","0.0374","","","0.0989","0.1062","","","","","","1.046","","","","has coordinates","272602","2022-02-04","19:17:49",""
"7243999","11.0416","0.0003","11.7979","0.0004","14.2305","0.0003","104.917","0.002","98.643","0.002","113.012","0.003","1581.79","0.09","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H30.54 F3 N5 Ni O8.27 S -","- C31 H28 F3 N5 Ni O8.272 S -","- C62 H56 F6 N10 Ni2 O16.544 S2 -","2","1","","Melvin, Marissa K.; Skelton, Brian W.; Eggers, Paul K.; Raston, Colin L.","Synthesis, crystallization and Hirshfeld surface analysis of transition metal carboxylate pentapyridines","CrystEngComm","2022","24","1","57","69","10.1039/D1CE01248G","","x-ray","0.71073","MoKα","","0.0706","0.0475","","","0.1103","0.1221","","","","","","1.03","","","","has coordinates,has disorder","272602","2022-02-04","19:17:49",""
"7244002","5.8675","0.0005","20.1101","0.0016","18.3448","0.0015","90","","98.579","0.004","90","","2140.4","0.3","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 Cu Fe N2 O5 -","- C24 H22 Cu Fe N2 O5 -","- C96 H88 Cu4 Fe4 N8 O20 -","4","1","","Ospina-Castro, María L.; Ávila, Edward E.; Briceño, Alexander; Reiber, Andreas; Pacheco-Londoño, Leonardo C.; Galan-Freyle, Nataly J.","Self-assembly and supramolecular isomerism in 1D metal–organometallic networks based on transition-metal assemblies from 1,1′-ferrocene-dicarboxylic acid and ancillary nitrogen heterocycle ligands","CrystEngComm","2021","23","46","8198","8208","10.1039/D1CE01204E","","","0.71073","MoKα","","0.0519","0.0408","","","0.0959","0.1002","","","","","","1.093","","","","has coordinates","271117","2021-12-05","01:08:58",""
"7244003","6.34","0.03","15.31","0.05","23.14","0.09","90","","84.1","0.3","90","","2234","16","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Co Fe N2 O4.48 -","- C23.4 H22 Co Fe N2 O3.277 -","- C93.6 H88 Co4 Fe4 N8 O13.108 -","4","1","","Ospina-Castro, María L.; Ávila, Edward E.; Briceño, Alexander; Reiber, Andreas; Pacheco-Londoño, Leonardo C.; Galan-Freyle, Nataly J.","Self-assembly and supramolecular isomerism in 1D metal–organometallic networks based on transition-metal assemblies from 1,1′-ferrocene-dicarboxylic acid and ancillary nitrogen heterocycle ligands","CrystEngComm","2021","23","46","8198","8208","10.1039/D1CE01204E","powder diffraction","","1.54186","CuKα","","","","","","","","","","1.2529","","","","","","","has coordinates","271117","2021-12-05","01:09:19",""
"7244004","5.707","0.01","25.67","0.05","14.37","0.03","90","","97.07","0.05","90","","2089","7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Cu Fe N2 O5 -","- C24 H18 Cu Fe N2 O5 -","- C96 H72 Cu4 Fe4 N8 O20 -","4","1","","Ospina-Castro, María L.; Ávila, Edward E.; Briceño, Alexander; Reiber, Andreas; Pacheco-Londoño, Leonardo C.; Galan-Freyle, Nataly J.","Self-assembly and supramolecular isomerism in 1D metal–organometallic networks based on transition-metal assemblies from 1,1′-ferrocene-dicarboxylic acid and ancillary nitrogen heterocycle ligands","CrystEngComm","2021","23","46","8198","8208","10.1039/D1CE01204E","","","0.7107","MoKα","","0.1057","0.0599","","","0.1285","0.1501","","","","","","1.135","","","","has coordinates","271117","2021-12-05","01:09:22",""
"7244005","5.9086","0.0003","16.8542","0.0008","21.1889","0.0012","90","","92.684","0.005","90","","2107.78","0.19","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 Cd Fe N2 O4.5 -","- C24 H21 Cd Fe N2 O4.5 -","- C96 H84 Cd4 Fe4 N8 O18 -","4","1","","Ospina-Castro, María L.; Ávila, Edward E.; Briceño, Alexander; Reiber, Andreas; Pacheco-Londoño, Leonardo C.; Galan-Freyle, Nataly J.","Self-assembly and supramolecular isomerism in 1D metal–organometallic networks based on transition-metal assemblies from 1,1′-ferrocene-dicarboxylic acid and ancillary nitrogen heterocycle ligands","CrystEngComm","2021","23","46","8198","8208","10.1039/D1CE01204E","","","1.5418","CuKα","","0.0354","0.0315","","","0.0782","0.0799","","","","","","1.061","","","","has coordinates,has disorder","271117","2021-12-05","01:09:23",""
"7244006","10.2015","0.0008","12.2977","0.0006","13.0982","0.0005","105.694","0.004","92.706","0.005","93.349","0.005","1575.88","0.16","99.95","0.1","99.95","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C38 H32 Fe N2 O5 Zn -","- C38 H32 Fe N2 O5 Zn -","- C76 H64 Fe2 N4 O10 Zn2 -","2","1","","Ospina-Castro, María L.; Ávila, Edward E.; Briceño, Alexander; Reiber, Andreas; Pacheco-Londoño, Leonardo C.; Galan-Freyle, Nataly J.","Self-assembly and supramolecular isomerism in 1D metal–organometallic networks based on transition-metal assemblies from 1,1′-ferrocene-dicarboxylic acid and ancillary nitrogen heterocycle ligands","CrystEngComm","2021","23","46","8198","8208","10.1039/D1CE01204E","","","1.5418","CuKα","","0.0385","0.0368","","","0.0993","0.1013","","","","","","1.048","","","","has coordinates","271117","2021-12-05","01:09:25",""
"7244007","23.977","0.011","12.069","0.005","8.344","0.004","90","","90","","90","","2414.6","1.9","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C24 H24 Co Fe N2 O6 -","- C24 H24 Co Fe N2 O6 -","- C96 H96 Co4 Fe4 N8 O24 -","4","0.5","","Ospina-Castro, María L.; Ávila, Edward E.; Briceño, Alexander; Reiber, Andreas; Pacheco-Londoño, Leonardo C.; Galan-Freyle, Nataly J.","Self-assembly and supramolecular isomerism in 1D metal–organometallic networks based on transition-metal assemblies from 1,1′-ferrocene-dicarboxylic acid and ancillary nitrogen heterocycle ligands","CrystEngComm","2021","23","46","8198","8208","10.1039/D1CE01204E","","","0.7107","MoKα","","0.0912","0.0605","","","0.1042","0.1181","","","","","","1.141","","","","has coordinates","271117","2021-12-05","01:09:28",""
"7244008","10.241","0.006","12.46","0.009","13.234","0.009","106.27","0.03","91.968","0.017","93.26","0.02","1616.2","1.9","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H32 Co Fe N2 O5 -","- C38 H32 Co Fe N2 O5 -","- C76 H64 Co2 Fe2 N4 O10 -","2","1","","Ospina-Castro, María L.; Ávila, Edward E.; Briceño, Alexander; Reiber, Andreas; Pacheco-Londoño, Leonardo C.; Galan-Freyle, Nataly J.","Self-assembly and supramolecular isomerism in 1D metal–organometallic networks based on transition-metal assemblies from 1,1′-ferrocene-dicarboxylic acid and ancillary nitrogen heterocycle ligands","CrystEngComm","2021","23","46","8198","8208","10.1039/D1CE01204E","","","0.71073","MoKα","","0.2261","0.0925","","","0.1296","0.1775","","","","","","1.073","","","","has coordinates","271117","2021-12-05","01:09:31",""
"7244009","10.7394","0.0004","12.0118","0.0005","12.6687","0.0003","77.694","0.003","78.073","0.003","79.98","0.003","1547.74","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H30 Cu Fe N2 O4 -","- C38 H30 Cu Fe N2 O4 -","- C76 H60 Cu2 Fe2 N4 O8 -","2","1","","Ospina-Castro, María L.; Ávila, Edward E.; Briceño, Alexander; Reiber, Andreas; Pacheco-Londoño, Leonardo C.; Galan-Freyle, Nataly J.","Self-assembly and supramolecular isomerism in 1D metal–organometallic networks based on transition-metal assemblies from 1,1′-ferrocene-dicarboxylic acid and ancillary nitrogen heterocycle ligands","CrystEngComm","2021","23","46","8198","8208","10.1039/D1CE01204E","","","1.54184","CuKα","","0.0348","0.0324","","","0.0854","0.0873","","","","","","1.063","","","","has coordinates,has disorder","271117","2021-12-05","01:09:32",""
"7244014","20.3991","0.0005","15.4857","0.0003","30.0422","0.0005","90","","90","","90","","9490.2","0.3","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C56.25 H45.25 N10.75 O1.75 -","- C51 H33 N9 -","- C408 H264 N72 -","8","1","","Manfroni, Giacomo; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Stars and stripes: hexatopic tris(3,2′:6′,3′′-terpyridine) ligands that unexpectedly form one-dimensional coordination polymers","CrystEngComm","2022","24","3","491","503","10.1039/D1CE01531A","","x-ray","1.34143","GaKα","","0.0746","0.0515","","","0.152","0.1612","","","","","","0.964","","","","has coordinates","272639","2022-02-04","19:27:25",""
"7244015","19.889","0.004","21.178","0.004","34.375","0.007","90","","104.32","0.03","90","","14029","5","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C122 H80.1 Cl1.2 Cu3 F36 N9 O12 -","- C117.8 H75.3 Cl1.2 Cu3 F36 N9 O12 -","- C471.2 H301.2 Cl4.8 Cu12 F144 N36 O48 -","4","1","","Manfroni, Giacomo; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Stars and stripes: hexatopic tris(3,2′:6′,3′′-terpyridine) ligands that unexpectedly form one-dimensional coordination polymers","CrystEngComm","2022","24","3","491","503","10.1039/D1CE01531A","","x-ray","0.72083","synchrotron","","0.2092","0.1912","","","0.4998","0.5408","","","","","","1.177","","","","has coordinates,has disorder","272639","2022-02-04","19:27:25",""
"7244016","22.82","0.003","11.9888","0.0015","22.879","0.003","90","","111.912","0.004","90","","5807.2","1.3","143","2","143","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H72 Br14 Mo6 N2 -","- C32 H72 Br14 Mo6 N2 -","- C128 H288 Br56 Mo24 N8 -","4","1","","Saito, Norio; Nishiyama, Daiki; Matsushita, Yoshitaka; Wada, Yoshiki; Cordier, Stéphane; Ohsawa, Takeo; Grasset, Fabien; Ohashi, Naoki","Reentrant structural and optical properties of organic–inorganic hybrid metal cluster compound ((n-C4H9)4N)2[Mo6Bri8Bra6]","CrystEngComm","2022","24","3","465","470","10.1039/D1CE01033F","","","0.71073","MoKα","","0.141","0.0643","","","0.1373","0.1684","","","","","","0.957","","","","has coordinates,has disorder","272627","2022-02-04","19:24:12",""
"7244017","13.0071","0.001","11.6664","0.0009","19.0278","0.0014","90","","90.481","0.003","90","","2887.3","0.4","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H72 Br14 Mo6 N2 -","- C32 H72 Br14 Mo6 N2 -","- C64 H144 Br28 Mo12 N4 -","2","0.5","","Saito, Norio; Nishiyama, Daiki; Matsushita, Yoshitaka; Wada, Yoshiki; Cordier, Stéphane; Ohsawa, Takeo; Grasset, Fabien; Ohashi, Naoki","Reentrant structural and optical properties of organic–inorganic hybrid metal cluster compound ((n-C4H9)4N)2[Mo6Bri8Bra6]","CrystEngComm","2022","24","3","465","470","10.1039/D1CE01033F","","","0.71073","MoKα","","0.0792","0.0644","","","0.166","0.177","","","","","","1.027","","","","has coordinates","272627","2022-02-04","19:24:12",""
"7244018","13.1355","0.0004","11.7629","0.0003","18.9747","0.0006","90","","90.737","0.001","90","","2931.57","0.15","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H72 Br14 Mo6 N2 -","- C32 H72 Br14 Mo6 N2 -","- C64 H144 Br28 Mo12 N4 -","2","0.5","","Saito, Norio; Nishiyama, Daiki; Matsushita, Yoshitaka; Wada, Yoshiki; Cordier, Stéphane; Ohsawa, Takeo; Grasset, Fabien; Ohashi, Naoki","Reentrant structural and optical properties of organic–inorganic hybrid metal cluster compound ((n-C4H9)4N)2[Mo6Bri8Bra6]","CrystEngComm","2022","24","3","465","470","10.1039/D1CE01033F","","","0.71073","MoKα","","0.073","0.0416","","","0.0914","0.1031","","","","","","1.035","","","","has coordinates,has disorder","272627","2022-02-04","19:24:12",""
"7244019","17.6067","0.0004","17.6067","0.0004","29.9221","0.0015","90","","90","","90","","9275.7","0.6","293","2","296.15","","","","","","","","","7","I 4/m","-I 4","87","","","","- C24 H60 Mo12 N36 Ni7 O60 P -","- C24 H60 Mo12 N36 Ni7 O60 P -","- C96 H240 Mo48 N144 Ni28 O240 P4 -","4","0.25","","Zhuo, Jin-Long; Wang, Yun-Liang; Wang, Yu-Guang; Xu, Ming-Qi; Sha, Jing-Quan","Surfactant-assisted fabrication and supercapacitor performances of a 12-phosphomolybdate-pillared metal–organic framework containing a helix and its SWNT nanocomposites","CrystEngComm","2022","24","3","579","586","10.1039/D1CE01471D","","","0.71073","MoKα","","0.0878","0.053","","","0.1372","0.163","","","","","","1.054","","","","has coordinates","272631","2022-02-04","19:24:49",""
"7244020","14.767","0.003","16.296","0.003","18.365","0.003","71.143","0.004","87.189","0.004","84.839","0.004","4164.3","1.3","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C52 H98 Cu N24 O128 Si3 W36 -","- C52 H98 Cu N24 O128 Si3 W36 -","- C52 H98 Cu N24 O128 Si3 W36 -","1","0.5","","Sun, Chenxi; Ying, Jun; Zhang, Yanping; Jin, Liang; Tian, Aixiang; Wang, Xiuli","A series of POM-based compounds by tuning coordination groups and spacers of ligands: electrocatalytic, capacitive and photoelectrocatalytic properties","CrystEngComm","2022","24","3","587","600","10.1039/D1CE01419F","","","0.71073","MoKα","","0.1609","0.0798","","","0.1859","0.2351","","","","","","0.999","","","","has coordinates,has disorder","272635","2022-02-04","19:26:19",""
"7244021","12.1279","0.0015","21.743","0.003","21.136","0.003","90","","102.364","0.002","90","","5444.2","1.3","273.15","","273.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H66 Co Mo24 N24 O82 Si2 -","- C52 H66 Co Mo24 N24 O82 Si2 -","- C104 H132 Co2 Mo48 N48 O164 Si4 -","2","0.5","","Sun, Chenxi; Ying, Jun; Zhang, Yanping; Jin, Liang; Tian, Aixiang; Wang, Xiuli","A series of POM-based compounds by tuning coordination groups and spacers of ligands: electrocatalytic, capacitive and photoelectrocatalytic properties","CrystEngComm","2022","24","3","587","600","10.1039/D1CE01419F","","","0.71073","MoKα","","0.0497","0.0345","","","0.0653","0.0705","","","","","","1.107","","","","has coordinates,has disorder","272635","2022-02-04","19:26:19",""
"7244022","13.7397","0.0009","10.2909","0.0007","17.8945","0.0012","90","","105.235","0.001","90","","2441.3","0.3","296.15","","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H44 Co3 Mo6 N12 O32 Te -","- C26 H44 Co3 Mo6 N12 O32 Te -","- C52 H88 Co6 Mo12 N24 O64 Te2 -","2","0.5","","Sun, Chenxi; Ying, Jun; Zhang, Yanping; Jin, Liang; Tian, Aixiang; Wang, Xiuli","A series of POM-based compounds by tuning coordination groups and spacers of ligands: electrocatalytic, capacitive and photoelectrocatalytic properties","CrystEngComm","2022","24","3","587","600","10.1039/D1CE01419F","","","0.71073","MoKα","","0.046","0.0297","","","0.0604","0.0661","","","","","","1.015","","","","has coordinates","272635","2022-02-04","19:26:19",""
"7244023","23.2769","0.0007","13.9736","0.0004","19.3429","0.0006","90","","90","","90","","6291.5","0.3","296.15","","296.15","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C52 H82 Cu5 Mo22 N24 O89 P2 -","- C52 H82 Cu5 Mo22 N24 O89 P2 -","- C104 H164 Cu10 Mo44 N48 O178 P4 -","2","0.5","","Sun, Chenxi; Ying, Jun; Zhang, Yanping; Jin, Liang; Tian, Aixiang; Wang, Xiuli","A series of POM-based compounds by tuning coordination groups and spacers of ligands: electrocatalytic, capacitive and photoelectrocatalytic properties","CrystEngComm","2022","24","3","587","600","10.1039/D1CE01419F","","","0.71073","MoKα","","0.0597","0.0437","","","0.1062","0.1173","","","","","","1.084","","","","has coordinates,has disorder","272635","2022-02-04","19:26:19",""
"7244024","12.2348","0.0007","13.557","0.0008","13.8907","0.0008","110.677","0.001","110.381","0.001","98.307","0.001","1924.4","0.2","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C12 H34 Cr Cu Mo6 N7 O31 -","- C12 H34 Cr Cu Mo6 N7 O31 -","- C24 H68 Cr2 Cu2 Mo12 N14 O62 -","2","1","","Sun, Chenxi; Ying, Jun; Zhang, Yanping; Jin, Liang; Tian, Aixiang; Wang, Xiuli","A series of POM-based compounds by tuning coordination groups and spacers of ligands: electrocatalytic, capacitive and photoelectrocatalytic properties","CrystEngComm","2022","24","3","587","600","10.1039/D1CE01419F","","","0.71073","MoKα","","0.064","0.0381","","","0.0764","0.086","","","","","","1.009","","","","has coordinates,has disorder","272635","2022-02-04","19:26:19",""
"7244025","19.0455","0.0016","14.5002","0.0012","23.178","0.002","90","","95.835","0.001","90","","6367.8","0.9","296.15","","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H52 Co2 N12 O45.5 P W11 -","- C26 H52 Co2 N12 O45.5 P W11 -","- C104 H208 Co8 N48 O182 P4 W44 -","4","1","","Sun, Chenxi; Ying, Jun; Zhang, Yanping; Jin, Liang; Tian, Aixiang; Wang, Xiuli","A series of POM-based compounds by tuning coordination groups and spacers of ligands: electrocatalytic, capacitive and photoelectrocatalytic properties","CrystEngComm","2022","24","3","587","600","10.1039/D1CE01419F","","","0.71073","MoKα","","0.0478","0.0285","","","0.0556","0.062","","","","","","1.042","","","","has coordinates","272635","2022-02-04","19:26:19",""
"7244026","8.3059","0.0003","10.2707","0.0004","27.0831","0.001","90.502","0.001","95.784","0.001","112.687","0.001","2117.91","0.14","296.15","","296.15","","","","","","","","","8","P -1","-P 1","2","","","","- C13 H37 Co2 Mo6 N6 Na O35 Te -","- C13 H37 Co2 Mo6 N6 Na O35 Te -","- C26 H74 Co4 Mo12 N12 Na2 O70 Te2 -","2","1","","Sun, Chenxi; Ying, Jun; Zhang, Yanping; Jin, Liang; Tian, Aixiang; Wang, Xiuli","A series of POM-based compounds by tuning coordination groups and spacers of ligands: electrocatalytic, capacitive and photoelectrocatalytic properties","CrystEngComm","2022","24","3","587","600","10.1039/D1CE01419F","","","0.71073","MoKα","","0.0576","0.0386","","","0.0867","0.0945","","","","","","1.054","","","","has coordinates,has disorder","272635","2022-02-04","19:26:19",""
"7244034","11.5136","0.0005","14.4562","0.0005","16.368","0.0006","75.824","0.003","85.556","0.003","89.48","0.003","2633.3","0.18","99.99","0.1","99.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C60 H50 N10 O4 -","- C60 H54 N10 O4 -","- C120 H108 N20 O8 -","2","1","","Giri, Rajat Subhra; Mandal, Bhubaneswar","Supramolecular helical self-assembly of small peptides","CrystEngComm","2022","24","1","10","32","10.1039/D1CE01349A","","x-ray","1.54184","CuKα","","0.0949","0.0727","","","0.1927","0.2035","","","","","","1.249","","","","has coordinates","272604","2022-02-04","19:18:18",""
"7244035","7.2058","0.0002","7.774","0.0003","20.4876","0.0007","86.501","0.003","89.897","0.003","83.117","0.003","1137.26","0.07","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C26 H21 Cd0.5 Cl N3 O2 -","- C26 H21 Cd0.5 Cl N3 O2 -","- C52 H42 Cd Cl2 N6 O4 -","2","1","","Giri, Rajat Subhra; Mandal, Bhubaneswar","Supramolecular helical self-assembly of small peptides","CrystEngComm","2022","24","1","10","32","10.1039/D1CE01349A","","x-ray","1.54184","CuKα","","0.0551","0.0481","","","0.1288","0.1306","","","","","","1.158","","","","has coordinates","272604","2022-02-04","19:18:18",""
"7244036","10.12941","0.00005","16.43674","0.00009","13.38681","0.00007","90","","96.9574","0.0005","90","","2212.42","0.02","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 Cl3 N S2 Sn -","- C19 H22 Cl3 N S2 Sn -","- C76 H88 Cl12 N4 S8 Sn4 -","4","1","","Tan, Sang Loon; Cardoso, Laura N. F.; de Souza, Marcus V. N.; Wardell, Solange M. S. V.; Wardell, James L.; Tiekink, Edward R. T.","Experimental and computational evidence for stabilising parallel, offset π[C(O)N(H)NC]⋯π(phenyl) interactions in acetohydrazide derivatives","CrystEngComm","2022","24","5","962","974","10.1039/D1CE01492G","","","1.54184","CuKα","","0.0222","0.0217","","","0.0564","0.0566","","","","","","1.062","","","","has coordinates","272611","2022-02-04","19:19:52",""
"7244038","7.3849","0.0001","8.0981","0.0002","11.1254","0.0002","72.216","0.002","84.21","0.002","74.767","0.002","611.13","0.02","299.78","0.1","299.78","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C13 H9 Cl2 N O2 -","- C13 H9 Cl2 N O2 -","- C26 H18 Cl4 N2 O4 -","2","1","","Zhoujin, Yunping; Li, Yuping; Zhang, Mingtao; Parkin, Sean; Guo, Ju; Li, Tonglei; Yu, Faquan; Long, Sihui","Polymorphism and cocrystal salt formation of 2-((2,6-dichlorophenyl)amino)benzoic acid, harvest of a second form of 2-((2,6-dimethylphenyl)amino)benzoic acid, and isomorphism between the two systems","CrystEngComm","2022","24","3","681","690","10.1039/D1CE01407B","","x-ray","1.54184","CuKα","","0.0407","0.0398","","","0.1121","0.1132","","","","","","1.034","","","","has coordinates","272638","2022-02-04","19:26:55",""
"7244039","11.6672","0.00018","7.4166","0.0001","15.6676","0.0003","90","","108.305","0.0017","90","","1287.13","0.04","300.43","0.1","300.43","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C60 H60 N4 O8 -","4","1","","Zhoujin, Yunping; Li, Yuping; Zhang, Mingtao; Parkin, Sean; Guo, Ju; Li, Tonglei; Yu, Faquan; Long, Sihui","Polymorphism and cocrystal salt formation of 2-((2,6-dichlorophenyl)amino)benzoic acid, harvest of a second form of 2-((2,6-dimethylphenyl)amino)benzoic acid, and isomorphism between the two systems","CrystEngComm","2022","24","3","681","690","10.1039/D1CE01407B","","x-ray","1.54184","CuKα","","0.046","0.0424","","","0.1222","0.1255","","","","","","1.069","","","","has coordinates","272638","2022-02-04","19:26:56",""
"7244040","12.4611","0.0003","6.86735","0.00012","15.5404","0.0003","90","","110.487","0.002","90","","1245.75","0.05","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H9 Cl2 N O2 -","- C13 H9 Cl2 N O2 -","- C52 H36 Cl8 N4 O8 -","4","1","","Zhoujin, Yunping; Li, Yuping; Zhang, Mingtao; Parkin, Sean; Guo, Ju; Li, Tonglei; Yu, Faquan; Long, Sihui","Polymorphism and cocrystal salt formation of 2-((2,6-dichlorophenyl)amino)benzoic acid, harvest of a second form of 2-((2,6-dimethylphenyl)amino)benzoic acid, and isomorphism between the two systems","CrystEngComm","2022","24","3","681","690","10.1039/D1CE01407B","","x-ray","1.54184","CuKα","","0.0436","0.0402","","","0.1131","0.1167","","","","","","1.086","","","","has coordinates","272638","2022-02-04","19:26:56",""
"7244041","14.2255","0.0002","24.628","0.0003","8.1632","0.0001","90","","99.282","0.001","90","","2822.49","0.06","259.6","0.6","259.6","0.6","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 Cl4 N3 O4 -","- C28 H25 Cl4 N3 O4 -","- C112 H100 Cl16 N12 O16 -","4","1","","Zhoujin, Yunping; Li, Yuping; Zhang, Mingtao; Parkin, Sean; Guo, Ju; Li, Tonglei; Yu, Faquan; Long, Sihui","Polymorphism and cocrystal salt formation of 2-((2,6-dichlorophenyl)amino)benzoic acid, harvest of a second form of 2-((2,6-dimethylphenyl)amino)benzoic acid, and isomorphism between the two systems","CrystEngComm","2022","24","3","681","690","10.1039/D1CE01407B","","x-ray","1.54184","CuKα","","0.0548","0.0492","","","0.1291","0.1335","","","","","","1.033","","","","has coordinates","272638","2022-02-04","19:26:56",""
"7244042","6.5565","0.0001","17.6948","0.0004","12.4912","0.0003","90","","102.335","0.0006","90","","1415.72","0.05","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H5 N7 O8 -","- C11.9994 H5 N6.9994 O7.9994 -","- C47.9976 H20 N27.9976 O31.9976 -","4","1","","Baraboshkin, Nikita M.; Zelenov, Victor P.; Minyaev, Mikhail E.; Pivina, Tatyana S.","Quest: structure and properties of BTF–nitrobenzene cocrystals with different ratios of components","CrystEngComm","2022","24","2","235","250","10.1039/D1CE00977J","","","0.71073","MoKα","","0.0813","0.0628","","","0.1475","0.1623","","","","","","1.039","","","","has coordinates,has disorder","272626","2022-02-04","19:24:03",""
"7244043","12.0783","0.0003","12.3615","0.0003","12.6822","0.0003","107.053","0.001","95.261","0.001","112.021","0.001","1634.2","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H4 N20 O22 -","- C24 H4 N20 O22 -","- C48 H8 N40 O44 -","2","1","","Baraboshkin, Nikita M.; Zelenov, Victor P.; Minyaev, Mikhail E.; Pivina, Tatyana S.","Quest: structure and properties of BTF–nitrobenzene cocrystals with different ratios of components","CrystEngComm","2022","24","2","235","250","10.1039/D1CE00977J","","","0.71073","MoKα","","0.0981","0.0696","","","0.1803","0.204","","","","","","1.093","","","","has coordinates,has disorder","272626","2022-02-04","19:24:03",""
"7244044","7.1886","0.0008","17.2834","0.0019","12.4782","0.0014","90","","94.337","0.003","90","","1545.9","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H4 N8 O10 -","- C12 H4 N8 O10 -","- C48 H16 N32 O40 -","4","1","","Baraboshkin, Nikita M.; Zelenov, Victor P.; Minyaev, Mikhail E.; Pivina, Tatyana S.","Quest: structure and properties of BTF–nitrobenzene cocrystals with different ratios of components","CrystEngComm","2022","24","2","235","250","10.1039/D1CE00977J","","","0.71073","MoKα","","0.1003","0.0802","","","0.2155","0.2348","","","","","","1.068","","","","has coordinates,has disorder","272626","2022-02-04","19:24:03",""
"7244051","13.0104","0.0005","7.1278","0.0003","17.3503","0.0007","90","","90","","90","","1608.99","0.11","298","2","298","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","[Pb(INO)Cl]n","","- C6 H4 Cl N O3 Pb -","- C6 H4 Cl N O3 Pb -","- C48 H32 Cl8 N8 O24 Pb8 -","8","1","","Aboutorabi, Leila; Morsali, Ali","Synthesis, crystal structures and reversible solid-state crystal-to-crystal transformation of three isostructural lead(ii) halide coordination polymers with different luminescence properties in bulk and nanoscale","CrystEngComm","2022","24","5","1049","1055","10.1039/D1CE01509E","","","0.71073","MoKα","","0.0283","0.0255","","","0.0707","0.0746","","","","","","1.173","","","","has coordinates","272612","2022-02-04","19:20:00",""
"7244052","13.7536","0.0004","6.8778","0.0002","17.8671","0.0005","90","","90","","90","","1690.13","0.08","298","2","298","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","[Pb(INO)I]n","","- C6 H4 I N O3 Pb -","- C6 H4 I N O3 Pb -","- C48 H32 I8 N8 O24 Pb8 -","8","1","","Aboutorabi, Leila; Morsali, Ali","Synthesis, crystal structures and reversible solid-state crystal-to-crystal transformation of three isostructural lead(ii) halide coordination polymers with different luminescence properties in bulk and nanoscale","CrystEngComm","2022","24","5","1049","1055","10.1039/D1CE01509E","","","0.71073","MoKα","","0.0225","0.0195","","","0.049","0.0503","","","","","","1.116","","","","has coordinates","272612","2022-02-04","19:20:00",""
"7244053","13.2594","0.0007","7.0293","0.0004","17.5526","0.0009","90","","90","","90","","1635.98","0.15","298","2","298","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","[Pb(INO)Br)n","","- C6 H4 Br N O3 Pb -","- C6 H4 Br N O3 Pb -","- C48 H32 Br8 N8 O24 Pb8 -","8","1","","Aboutorabi, Leila; Morsali, Ali","Synthesis, crystal structures and reversible solid-state crystal-to-crystal transformation of three isostructural lead(ii) halide coordination polymers with different luminescence properties in bulk and nanoscale","CrystEngComm","2022","24","5","1049","1055","10.1039/D1CE01509E","","","0.71073","MoKα","","0.0231","0.0197","","","0.0495","0.051","","","","","","1.106","","","","has coordinates","272612","2022-02-04","19:20:00",""
"7244055","19.4078","0.0001","19.4078","0.0001","23.1536","0.0002","90","","90","","120","","7552.69","0.09","173","2","173","2","","","","","","","","6","P 3 2 1","P 3 2""","150","","","","- C30 H50 Cl2 Eu2 N2 O20 -","- C30 H49.9998 Cl2 Eu2 N2 O20 -","- C180 H299.999 Cl12 Eu12 N12 O120 -","6","1","","Dong, Yingling; Chen, Rui; Zhu, Xu; Niu, Caoyuan; Wu, Benlai; Yu, Ajuan","Homochiral porous coordination polymer of EuIII for metal ion sensing and enantioselective adsorption","CrystEngComm","2022","24","6","1156","1160","10.1039/D1CE01244D","","","0.71073","MoKα","","0.0341","0.0295","","","0.068","0.0704","","","","","","1.072","","","","has coordinates,has disorder","273354","2022-03-04","22:08:12",""
"7244056","8.409","0.002","16.64","0.001","11.274","0.001","90","","101.37","0.02","90","","1546.6","0.4","150","2","150","2","","","","","","","","5","P 1 c 1","P -2yc","7","Sulfathiazole, diethylmalonate solvate","Sulfathiazole, diethylmalonate (2:1) solvate","","- C25 H30 N6 O8 S4 -","- C25 H30 N6 O8 S4 -","- C50 H60 N12 O16 S8 -","2","1","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","1.54178","CuKα","","0.0406","0.0396","","","0.1131","0.1141","","","","","","1.055","","","","has coordinates","272632","2022-02-04","19:25:18",""
"7244057","8.523","0.002","21.073","0.004","9.087","0.002","90","","96.54","0.03","90","","1621.5","0.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sulfathiazole, sebaconitrile solvate","Sulfathiazole, 1,10-decanedinitrile (2:1) solvate","","- C28 H34 N8 O4 S4 -","- C28 H34 N8 O4 S4 -","- C56 H68 N16 O8 S8 -","2","0.5","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","0.71073","MoKα","","0.1026","0.0495","","","0.1015","0.1188","","","","","","0.988","","","","has coordinates","272632","2022-02-04","19:25:19",""
"7244058","8.783","0.001","14.728","0.004","23.8","0.005","90","","98.46","0.01","90","","3045.2","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sulfathiazole, cyclooctanone solvate","Sulfathiazole, cyclooctanone (2:1) solvate","","- C26 H32 N6 O5 S4 -","- C26 H32 N6 O5 S4 -","- C104 H128 N24 O20 S16 -","4","1","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","1.54178","CuKα","","0.1367","0.0691","","","0.166","0.1863","","","","","","0.918","","","","has coordinates","272632","2022-02-04","19:25:19",""
"7244059","8.636","0.002","19.187","0.004","9.354","0.002","90","","91.03","0.03","90","","1549.7","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Sulfathiazole, gamma-butyrolactone","Sulfathiazole, 4-butyrolactone (1:1) solvate","","- C13 H15 N3 O4 S2 -","- C13 H15 N3 O4 S2 -","- C52 H60 N12 O16 S8 -","4","1","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","1.54178","CuKα","","0.0978","0.0554","","","0.1593","0.1754","","","","","","1.118","","","","has coordinates","272632","2022-02-04","19:25:19",""
"7244060","8.416","0.002","17.394","0.003","10.342","0.002","90","","104.7","0.03","90","","1464.4","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Sulfathiazole, diethyloxalate solvate","Sulfathiazole, oxalic acid diethyl ester (2:1) solvate","","- C24 H28 N6 O8 S4 -","- C24 H28 N6 O8 S4 -","- C48 H56 N12 O16 S8 -","2","0.5","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","0.71073","MoKα","","0.1295","0.0605","","","0.1154","0.1296","","","","","","0.791","","","","has coordinates","272632","2022-02-04","19:25:19",""
"7244061","8.154","0.002","17.399","0.003","10.077","0.002","90","","101.32","0.03","90","","1401.8","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Sulfathiazole, adiponitrile solvate","Sulfathiazole, 1,6-hexanenitrile (2:1) solvate","","- C24 H26 N8 O4 S4 -","- C24 H26 N8 O4 S4 -","- C48 H52 N16 O8 S8 -","2","0.5","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","0.71073","MoKα","","0.0415","0.0331","","","0.0821","0.0864","","","","","","1.057","","","","has coordinates","272632","2022-02-04","19:25:19",""
"7244062","11.448","0.002","14.224","0.003","15.323","0.003","90","","111.6","0.03","90","","2319.9","0.9","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sulfathiazole, caprolactam solvate","Sulfathiazole, hexahydro-2H-azepin-2-one (1:2) solvate","","- C21 H31 N5 O4 S2 -","- C21 H31 N5 O4 S2 -","- C84 H124 N20 O16 S8 -","4","1","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","0.71073","MoKα","","0.0789","0.0552","","","0.1373","0.152","","","","","","1.029","","","","has coordinates","272632","2022-02-04","19:25:19",""
"7244063","8.01","0.002","20.82","0.004","8.99","0.002","90","","94.65","0.03","90","","1494.3","0.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sulfathiazole, suberonitrile solvate","Sulfathiazole, 1,8-octanedinitrile (2:1) solvate","","- C26 H30 N8 O4 S4 -","- C26 H30 N8 O4 S4 -","- C52 H60 N16 O8 S8 -","2","0.5","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","0.71069","MoKα","","0.0531","0.0391","","","0.0859","0.093","","","","","","1.072","","","","has coordinates","272632","2022-02-04","19:25:19",""
"7244064","6.487","0.003","12.332","0.004","22.259","0.003","90","","94.19","0.03","90","","1775.9","1","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sulfathiazole, cyclohexanone solvate","Sulfathiazole, cyclohexanone (1:1) solvate","","- C15 H19 N3 O3 S2 -","- C15 H19 N3 O3 S2 -","- C60 H76 N12 O12 S8 -","4","1","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","0.71073","MoKα","","0.1671","0.0832","","","0.2083","0.2309","","","","","","0.818","","","","has coordinates","272632","2022-02-04","19:25:19",""
"7244065","8.2478","0.0002","21.0191","0.0006","9.0739","0.0003","90","","96.534","0.001","90","","1562.85","0.08","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sulfathiazole, butyronitrile solvate","Sulfathiazole, butyronitrile (1:1) solvate","","- C13 H16 N4 O2 S2 -","- C13 H16 N4 O2 S2 -","- C52 H64 N16 O8 S8 -","4","1","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","0.71073","MoKα","","0.0892","0.0537","","","0.1274","0.1486","","","","","","1.041","","","","has coordinates","272632","2022-02-04","19:25:19",""
"7244066","8.051","0.002","11.492","0.002","15.552","0.003","77.45","0.03","88.64","0.02","88.64","0.02","1403.9","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","Sulfathiazole, dimethylethyleneurea solvate","Sulfathiazole, 1,3 dimethyl-2-imidazolidone (2:1) solvate","","- C23 H28 N8 O5 S4 -","- C23 H28 N8 O5 S4 -","- C46 H56 N16 O10 S8 -","2","1","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","0.71073","MoKα","","0.1053","0.0498","","","0.0898","0.1069","","","","","","0.949","","","","has coordinates","272632","2022-02-04","19:25:19",""
"7244067","8.606","0.002","21.643","0.004","8.735","0.002","90","","98.76","0.03","90","","1608","0.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sulfathiazole, beta-butyrolactone solvate","Sulfathiazole, 4-methyloxetan-2-one (1:1) solvate","","- C13 H15 N3 O4 S2 -","- C13 H15 N3 O4 S2 -","- C52 H60 N12 O16 S8 -","4","1","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","0.71073","MoKα","","0.0886","0.0534","","","0.1217","0.1381","","","","","","1.029","","","","has coordinates,has disorder","272632","2022-02-04","19:25:19",""
"7244068","6.036","0.001","21.02","0.004","12.791","0.003","90","","94.44","0.03","90","","1618","0.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sulfathiazole, sulfalone solvate","Sulfathiazole, tetramethylene sulfone (1:1) solvate","","- C13 H17 N3 O4 S3 -","- C13 H17 N3 O4 S3 -","- C52 H68 N12 O16 S12 -","4","1","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","0.71073","MoKα","","0.1133","0.0678","","","0.1452","0.1551","","","","","","0.814","","","","has coordinates","272632","2022-02-04","19:25:19",""
"7244069","6.613","0.003","12.074","0.003","22.085","0.003","90","","93.44","0.001","90","","1760.2","0.9","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sulfathiazole, cycloheptanone solvate","Sulfathiazole, cycloheptanone (1:1) solvate","","- C16 H21 N3 O3 S2 -","- C16 H21 N3 O3 S2 -","- C64 H84 N12 O12 S8 -","4","1","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","1.54178","CuKα","","0.1215","0.1159","","","0.2809","0.2878","","","","","","1.124","","","","has coordinates","272632","2022-02-04","19:25:19",""
"7244070","8.363","0.0017","21.146","0.004","9.116","0.0018","90","","95.76","0.03","90","","1604","0.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sulfathiazole, azelanitrile solvate","Sulfathiazole, 1,9-nonanedinitrile (2:1) solvate","","- C27 H32 N8 O4 S4 -","- C27 H32 N8 O4 S4 -","- C54 H64 N16 O8 S8 -","2","0.5","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","0.71073","MoKα","","0.1437","0.1259","","","0.2951","0.3033","","","","","","1.216","","","","has coordinates,has disorder","272632","2022-02-04","19:25:19",""
"7244071","8.3551","0.0009","18.88","0.003","10.7764","0.0017","90","","96.79","0.009","90","","1688","0.4","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sulfathiazole, morpholine-4-carbonitrile solvate","Sulfathiazole, morpholine-4-carbonitrile (1:1) solvate","","- C14 H17 N5 O3 S2 -","- C14 H17 N5 O3 S2 -","- C56 H68 N20 O12 S8 -","4","1","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","0.71073","MoKα","","0.1879","0.0611","","","0.1112","0.1436","","","","","","0.933","","","","has coordinates","272632","2022-02-04","19:25:19",""
"7244072","16.533","0.003","9.996","0.001","19.81","0.002","90","","112.26","0.02","90","","3029.9","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sulfathiazole, N,N'-Dimethylpropylene urea solvate","Sulfathiazole, 1,3-Dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone (2:1) solvate","","- C24 H30 N8 O5 S4 -","- C24 H30 N8 O5 S4 -","- C96 H120 N32 O20 S16 -","4","1","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","1.54178","CuKα","","0.0758","0.0493","","","0.1416","0.1536","","","","","","1.097","","","","has coordinates","272632","2022-02-04","19:25:19",""
"7244073","8.4758","0.0003","20.7179","0.0009","9.6108","0.0005","90","","97.84","0.002","90","","1671.89","0.13","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sulfathiazole, valeronitrile solvate","Sulfathiazole, pentanenitrile (1:1) solvate","","- C14 H18 N4 O2 S2 -","- C14 H18 N4 O2 S2 -","- C56 H72 N16 O8 S8 -","4","1","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","0.71073","MoKα","","0.097","0.0509","","","0.1074","0.125","","","","","","0.978","","","","has coordinates,has disorder","272632","2022-02-04","19:25:19",""
"7244074","8.194","0.002","21.111","0.004","9.57","0.002","90","","94.2","0.03","90","","1651","0.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sulfathiazole, alpha-angelica lactone solvate","Sulfathiazole, 5-Methyl-2(3H)-furanone (1:1) solvate","","- C14 H15 N3 O4 S2 -","- C14 H15 N3 O4 S2 -","- C56 H60 N12 O16 S8 -","4","1","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","0.71073","MoKα","","0.1212","0.0473","","","0.0909","0.1035","","","","","","0.698","","","","has coordinates","272632","2022-02-04","19:25:19",""
"7244075","8.417","0.002","20.975","0.004","9.472","0.002","90","","93.83","0.03","90","","1668.5","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sulfathiazole, gamma-valerolactone solvate","Sulfathiazole, (+/-) 5-methyldihydrofuran-2-one (1:1) solvate","","- C14 H17 N3 O4 S2 -","- C14 H17 N3 O4 S2 -","- C56 H68 N12 O16 S8 -","4","1","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","1.54178","CuKα","","0.1115","0.0494","","","0.1123","0.1265","","","","","","0.968","","","","has coordinates,has disorder","272632","2022-02-04","19:25:19",""
"7244076","8.6785","0.0002","19.911","0.0006","10.0217","0.0003","90","","97.776","0.001","90","","1715.8","0.08","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sulfathiazole, dodecanedinitrile solvate","Sulfathiazole, 1,12-dodecanedinitrile (2:1) solvate","","- C30 H38 N8 O4 S4 -","- C30 H38 N8 O4 S4 -","- C60 H76 N16 O8 S8 -","2","0.5","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","0.71073","MoKα","","0.0575","0.0397","","","0.0956","0.1035","","","","","","1.023","","","","has coordinates","272632","2022-02-04","19:25:19",""
"7244077","16.616","0.003","16.088","0.003","12.63","0.003","90","","110.69","0.03","90","","3158.5","1.3","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","Sulfathiazole, N,N-dibutylformamide solvate","Sulfathiazole, N,N-dibutylformamide (2:1) solvate","","- C27 H37 N7 O5 S4 -","- C27 H37 N7 O5 S4 -","- C108 H148 N28 O20 S16 -","4","1","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","0.71073","MoKα","","0.0439","0.0356","","","0.0819","0.0859","","","","","","1.026","","","","has coordinates","272632","2022-02-04","19:25:19",""
"7244078","12.071","0.003","12.071","0.003","12.118","0.002","90","","90","","120","","1529.1","0.6","296","2","296.15","","","","","","","","","7","P 63/m","-P 6c","176","","","","- B9 Cd3 H3 K Na5 O38 P6 -","- B9 Cd3 H3 K Na5 O38 P6 -","- B18 Cd6 H6 K2 Na10 O76 P12 -","2","0.166667","","Feng, Yuquan; Lv, Linxia; Bi, Dongqin; Zhong, Zhiguo; Li, Jing; Yue, Zilong; Zeng, Zhaoge; Zhang, Shuhan; Meng, Zhaohui","Efficient degradation of reactive brilliant red on the first open-framework borate-rich cadmium borophosphate","CrystEngComm","2022","24","3","479","483","10.1039/D1CE01449H","","","0.71073","MoKα","","0.095","0.0919","","","0.2092","0.2105","","","","","","1.071","","","","has coordinates","272634","2022-02-04","19:25:35",""
"7244085","13.921","0.003","16.888","0.003","7.6224","0.0015","90","","120","0.03","90","","1551.9","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H14 O2 S2 -","- C18 H14 O2 S2 -","- C72 H56 O8 S8 -","4","0.5","","Zhang, Xiunan; Wang, Jingkang; Yu, Fei; Cheng, Xiaowei; Hao, Yunhui; Liu, Yue; Huang, Xin; Wang, Ting; Hao, Hongxun","Influence of additives on the polymorphic manipulation of organic fluorescent crystals and its mechanism","CrystEngComm","2022","24","4","854","862","10.1039/D1CE01285A","","","0.71073","MoKα","","0.0872","0.0541","","","0.1322","0.1473","","","","","","1.022","","","","has coordinates","272617","2022-02-04","19:20:37",""
"7244086","4.0639","0.0001","23.333","0.001","10.0221","0.0004","90","","93.341","0.003","90","","948.71","0.06","170.01","0.1","170.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-iodo-1-(4-nitrophenyl)prop-2-yn-1-one","","- C9 H4 I N O3 -","- C9 H4 I N O3 -","- C36 H16 I4 N4 O12 -","4","1","","Panikkattu, Vinu V.; Sinha, Abhijeet Shekhar; Aakeröy, Christer","A family of powerful halogen-bond donors: A structural and theoretical analysis of triply activated 3-iodo-1-phenylprop-2-yn-1-ones","CrystEngComm","2022","","","","","10.1039/D1CE01583D","","x-ray","0.71073","MoKα","","0.0438","0.0345","","","0.08","0.0835","","","","","","1.0409","","","","has coordinates","271547","2021-12-20","23:35:38",""
"7244087","19.4398","0.0005","19.4398","0.0005","5.0577","0.0001","90","","90","","90","","1911.33","0.08","200","2","200","2","","","","","","","","5","I -4","I -4","82","","1-(4-fluorophenyl)-3-iodoprop-2-yn-1-one","","- C9 H4 F I O -","- C9 H4 F I O -","- C72 H32 F8 I8 O8 -","8","1","","Panikkattu, Vinu V.; Sinha, Abhijeet Shekhar; Aakeröy, Christer","A family of powerful halogen-bond donors: A structural and theoretical analysis of triply activated 3-iodo-1-phenylprop-2-yn-1-ones","CrystEngComm","2022","","","","","10.1039/D1CE01583D","","","1.54178","CuKα","","0.0398","0.039","","","0.1007","0.1014","","","","","","1.028","","","","has coordinates","271547","2021-12-20","23:35:39",""
"7244088","10.0763","0.0002","11.2448","0.0002","7.2619","0.0002","90","","91.013","0.001","90","","822.69","0.03","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-iodo-1-phenylprop-2-yn-1-one","","- C9 H5 I O -","- C9 H5 I O -","- C36 H20 I4 O4 -","4","1","","Panikkattu, Vinu V.; Sinha, Abhijeet Shekhar; Aakeröy, Christer","A family of powerful halogen-bond donors: A structural and theoretical analysis of triply activated 3-iodo-1-phenylprop-2-yn-1-ones","CrystEngComm","2022","","","","","10.1039/D1CE01583D","","","1.54178","CuKα","","0.0279","0.0265","","","0.0687","0.0697","","","","","","1.061","","","","has coordinates","271547","2021-12-20","23:35:39",""
"7244089","5.6138","0.0003","7.8625","0.0004","11.1133","0.0005","104.33","0.002","96.117","0.002","94.399","0.003","469.84","0.04","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","3-(3-iodopropioloyl)benzonitrile","","- C10 H4 I N O -","- C10 H4 I N O -","- C20 H8 I2 N2 O2 -","2","1","","Panikkattu, Vinu V.; Sinha, Abhijeet Shekhar; Aakeröy, Christer","A family of powerful halogen-bond donors: A structural and theoretical analysis of triply activated 3-iodo-1-phenylprop-2-yn-1-ones","CrystEngComm","2022","","","","","10.1039/D1CE01583D","","","1.54178","CuKα","","0.0402","0.0392","","","0.1038","0.1053","","","","","","1.041","","","","has coordinates","271547","2021-12-20","23:35:39",""
"7244090","6.8676","0.0009","11.0423","0.001","13.0715","0.0011","82.581","0.007","74.932","0.009","77.837","0.009","932.79","0.17","100","0.1","100.15","","","","","","","","","5","P -1","-P 1","2","","3-iodo-1-(3-nitrophenyl)prop-2-yn-1-one","","- C9 H4 I N O3 -","- C9 H4 I N O3 -","- C36 H16 I4 N4 O12 -","4","2","","Panikkattu, Vinu V.; Sinha, Abhijeet Shekhar; Aakeröy, Christer","A family of powerful halogen-bond donors: A structural and theoretical analysis of triply activated 3-iodo-1-phenylprop-2-yn-1-ones","CrystEngComm","2022","","","","","10.1039/D1CE01583D","","x-ray","0.71073","MoKα","","0.0614","0.0539","","","0.1161","0.1193","","","","","","1.152","","","","has coordinates,has disorder","271547","2021-12-20","23:35:40",""
"7244091","4.06532","0.00016","24.0246","0.0011","9.7176","0.0004","90","","96.002","0.004","90","","943.89","0.07","100.02","0.19","100.02","0.19","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(3-iodoprop-2-ynoyl)benzonitrile","","- C10 H4 I N O -","- C10 H4 I N O -","- C40 H16 I4 N4 O4 -","4","1","","Panikkattu, Vinu V.; Sinha, Abhijeet Shekhar; Aakeröy, Christer","A family of powerful halogen-bond donors: A structural and theoretical analysis of triply activated 3-iodo-1-phenylprop-2-yn-1-ones","CrystEngComm","2022","","","","","10.1039/D1CE01583D","","x-ray","1.54184","CuKα","","0.0434","0.0429","","","0.1262","0.1271","","","","","","1.105","","","","has coordinates","271547","2021-12-20","23:35:40",""
"7244095","12.638","0.003","13.524","0.003","21.208","0.004","84.09","0.03","84.24","0.03","64.85","0.03","3257.3","1.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C102 H118 Co8 N2 O44 S8 -","- C102 H118 Co8 N2 O44 S8 -","- C102 H118 Co8 N2 O44 S8 -","1","0.5","","Kniazeva, Mariia V.; Ovsyannikov, Alexander S.; Samigullina, Aida I.; Islamov, Daut R.; Gubaidullin, Aidar T.; Dorovatovskii, Pavel V.; Lazarenko, Vladimir A.; Solovieva, Svetlana E.; Antipin, Igor S.; Ferlay, Sylvie","Impact of flexible succinate connectors on the formation of tetrasulfonylcalix[4]arene based nano-sized polynuclear cages: structural diversity and induced chirality study","CrystEngComm","2022","24","3","628","638","10.1039/D1CE01482J","","","0.7927","synchrotron","","0.1267","0.1101","","","0.2865","0.3052","","","","","","1.022","","","","has coordinates,has disorder","272640","2022-02-04","19:29:10",""
"7244096","31.887","0.006","23.216","0.005","23.261","0.005","90","","90","","90","","17220","6","100.15","","100.15","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C130 H194 N14 O48 S8 Zn6 -","- C130 H194 N14 O48 S8 Zn6 -","- C520 H776 N56 O192 S32 Zn24 -","4","0.5","","Kniazeva, Mariia V.; Ovsyannikov, Alexander S.; Samigullina, Aida I.; Islamov, Daut R.; Gubaidullin, Aidar T.; Dorovatovskii, Pavel V.; Lazarenko, Vladimir A.; Solovieva, Svetlana E.; Antipin, Igor S.; Ferlay, Sylvie","Impact of flexible succinate connectors on the formation of tetrasulfonylcalix[4]arene based nano-sized polynuclear cages: structural diversity and induced chirality study","CrystEngComm","2022","24","3","628","638","10.1039/D1CE01482J","","","0.7931","synchrotron","","0.1088","0.0713","","","0.1871","0.217","","","","","","1.025","","","","has coordinates,has disorder","272640","2022-02-04","19:29:10",""
"7244097","22.981","0.003","22.981","0.003","13.534","0.003","90","","90","","90","","7148","2","100","","100","","","","","","","","","6","P 42 21 2","P 4n 2n","94","","","","- C108 H138 N4 Ni9 O50 S8 -","- C108 H138 N4 Ni9 O50 S8 -","- C216 H276 N8 Ni18 O100 S16 -","2","0.25","","Kniazeva, Mariia V.; Ovsyannikov, Alexander S.; Samigullina, Aida I.; Islamov, Daut R.; Gubaidullin, Aidar T.; Dorovatovskii, Pavel V.; Lazarenko, Vladimir A.; Solovieva, Svetlana E.; Antipin, Igor S.; Ferlay, Sylvie","Impact of flexible succinate connectors on the formation of tetrasulfonylcalix[4]arene based nano-sized polynuclear cages: structural diversity and induced chirality study","CrystEngComm","2022","24","3","628","638","10.1039/D1CE01482J","","","0.7937","synchrotron","","0.081","0.0645","","","0.1705","0.1856","","","","","","1.048","","","","has coordinates,has disorder","272640","2022-02-04","19:29:10",""
"7244098","22.99439","0.00004","22.99439","0.00004","13.59342","0.00005","90","","90","","90","","7187.41","0.03","100","0.1","100","0.1","","","","","","","","6","P 42 21 2","P 4n 2n","94","","","","- C120 H162 Co9 N8 O54 S8 -","- C120 H162 Co9 N8 O54 S8 -","- C240 H324 Co18 N16 O108 S16 -","2","0.25","","Kniazeva, Mariia V.; Ovsyannikov, Alexander S.; Samigullina, Aida I.; Islamov, Daut R.; Gubaidullin, Aidar T.; Dorovatovskii, Pavel V.; Lazarenko, Vladimir A.; Solovieva, Svetlana E.; Antipin, Igor S.; Ferlay, Sylvie","Impact of flexible succinate connectors on the formation of tetrasulfonylcalix[4]arene based nano-sized polynuclear cages: structural diversity and induced chirality study","CrystEngComm","2022","24","3","628","638","10.1039/D1CE01482J","","x-ray","1.54184","CuKα","","0.0491","0.0484","","","0.1408","0.1417","","","","","","1.059","","","","has coordinates,has disorder","272640","2022-02-04","19:29:10",""
"7244099","14.717","0.0006","14.3696","0.0006","23.7326","0.001","90","","90","","90","","5018.9","0.4","296","2","296","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C45 H49 Eu3 N12 O24 S4 -","- C33 H9 Eu3 N8 O20 S4 -","- C132 H36 Eu12 N32 O80 S16 -","4","0.5","","He, Qi-Qi; Yao, Shu-Li; Zheng, Teng-Fei; Xu, Hui; Liu, Sui-Jun; Chen, Jing-Lin; Li, Na; Wen, He-Rui","A multi-responsive luminescent sensor based on a stable Eu(iii) metal–organic framework for sensing Fe3+, MnO4−, and Cr2O72− in aqueous solutions","CrystEngComm","2022","24","5","1041","1048","10.1039/D1CE01503F","","","0.71073","MoKα","","0.0397","0.0384","","","0.1154","0.1166","","","","","","1.123","","","","has coordinates,has disorder","272614","2022-02-04","19:20:15",""
"7244112","11.3034","0.0006","12.7188","0.0006","21.9772","0.0012","82.236","0.002","76.045","0.002","75.545","0.002","2959.8","0.3","150","2","150","","","","","","","","","7","P -1","-P 1","2","","ZrMOF-Co","","- C82 H96 Cl4 Co N10 O24 Zr6 -","- C82 H96 Cl4 Co N10 O24 Zr6 -","- C82 H96 Cl4 Co N10 O24 Zr6 -","1","0.5","","Zhu, Juan; Liu, Zhao-Yang; Li, Shuang-bao; Huang, He; Jiang, Bao-Xu; Zhang, Yu-Teng","Stepwise synthesis of Zr-based metal–organic frameworks: incorporating a trinuclear zirconocene-based metallo-pyridine ligand","CrystEngComm","2022","24","3","475","478","10.1039/D1CE01418H","","","0.71073","MoKα","","0.072","0.0526","","","0.141","0.1565","","","","","","1.022","","","","has coordinates","272630","2022-02-04","19:24:34",""
"7244113","11.3213","0.0006","12.545","0.0007","21.9866","0.0013","82.573","0.002","76.173","0.002","75.347","0.002","2925.7","0.3","150","2","150","","","","","","","","","7","P -1","-P 1","2","","ZrMOF-Ni","","- C82 H98 Cl4 N10 Ni O24 Zr6 -","- C82 H98 Cl4 N10 Ni O24 Zr6 -","- C82 H98 Cl4 N10 Ni O24 Zr6 -","1","0.5","","Zhu, Juan; Liu, Zhao-Yang; Li, Shuang-bao; Huang, He; Jiang, Bao-Xu; Zhang, Yu-Teng","Stepwise synthesis of Zr-based metal–organic frameworks: incorporating a trinuclear zirconocene-based metallo-pyridine ligand","CrystEngComm","2022","24","3","475","478","10.1039/D1CE01418H","","","0.71073","MoKα","","0.065","0.0477","","","0.1317","0.1446","","","","","","1.031","","","","has coordinates","272630","2022-02-04","19:24:34",""
"7244114","10.5089","0.0004","24.083","0.0011","6.4952","0.0003","90","","90","","90","","1643.84","0.12","150","2","149.99","","","","","","","","","3","P 21 21 2","P 2 2ab","18","artesiminin hemikis(acetylenedicarboxylic acid)","Octahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano(4,3-j)-1,2-benzodioxepin-10(3H)-one hemikis(but-2-ynedioic acid)","","- C17 H23 O7 -","- C17 H23 O7 -","- C68 H92 O28 -","4","1","","Makadia, Jay; Madu, Shadrack J.; Arroo, Randolph; Seaton, Colin C.; Li, Mingzhong","Artemisinin–acetylenedicarboxylic acid cocrystal: screening, structure determination, and physicochemical property characterisation","CrystEngComm","2022","24","5","1056","1067","10.1039/D1CE01400E","","","0.71073","MoKα","","0.0416","0.0353","","","0.0884","0.0922","","","","","","1.039","","","","has coordinates","272607","2022-02-04","19:19:04",""
"7244117","24.4715","0.0007","8.9399","0.0003","9.9133","0.0003","90","","90","","90","","2168.76","0.12","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C22 H20 Cd N4 O5 -","- C22 H20 Cd N4 O5 -","- C88 H80 Cd4 N16 O20 -","4","0.5","","Bai, Ye; Zhang, Mei-li; Wang, Bo-Tao; Ren, Yi-Xia; Zhao, Yu-Chao; Yang, Hua; Yang, Xiaogang","Four MOFs with isomeric ligands as fluorescent probes for highly selective, sensitive and stable detection of antibiotics in water","CrystEngComm","2022","24","1","169","181","10.1039/D1CE01261D","","","0.71073","MoKα","","0.0456","0.0289","","","0.0613","0.0662","","","","","","1.092","","","","has coordinates","271657","2022-01-01","00:11:11",""
"7244118","8.7652","0.0019","10.148","0.002","12.958","0.003","73.895","0.003","77.424","0.003","75.347","0.004","1057.8","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 Cd N4 O5 -","- C22 H20 Cd N4 O5 -","- C44 H40 Cd2 N8 O10 -","2","1","","Bai, Ye; Zhang, Mei-li; Wang, Bo-Tao; Ren, Yi-Xia; Zhao, Yu-Chao; Yang, Hua; Yang, Xiaogang","Four MOFs with isomeric ligands as fluorescent probes for highly selective, sensitive and stable detection of antibiotics in water","CrystEngComm","2022","24","1","169","181","10.1039/D1CE01261D","","","0.71073","MoKα","","0.0306","0.0252","","","0.0667","0.0862","","","","","","1.187","","","","has coordinates","271657","2022-01-01","00:11:11",""
"7244119","9.907","0.005","10.86","0.005","11.41","0.006","114.119","0.006","107.767","0.007","97.924","0.007","1017.1","0.9","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 Cd N4 O4 -","- C22 H18 Cd N4 O4 -","- C44 H36 Cd2 N8 O8 -","2","1","","Bai, Ye; Zhang, Mei-li; Wang, Bo-Tao; Ren, Yi-Xia; Zhao, Yu-Chao; Yang, Hua; Yang, Xiaogang","Four MOFs with isomeric ligands as fluorescent probes for highly selective, sensitive and stable detection of antibiotics in water","CrystEngComm","2022","24","1","169","181","10.1039/D1CE01261D","","","0.71073","MoKα","","0.04","0.033","","","0.0976","0.1094","","","","","","1.077","","","","has coordinates","271657","2022-01-01","00:11:11",""
"7244120","7.9711","0.0004","38.293","0.002","13.9006","0.0007","90","","96.469","0.001","90","","4216","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H40 N8 O10 Zn2 -","- C44 H40 N8 O10 Zn2 -","- C176 H160 N32 O40 Zn8 -","4","1","","Bai, Ye; Zhang, Mei-li; Wang, Bo-Tao; Ren, Yi-Xia; Zhao, Yu-Chao; Yang, Hua; Yang, Xiaogang","Four MOFs with isomeric ligands as fluorescent probes for highly selective, sensitive and stable detection of antibiotics in water","CrystEngComm","2022","24","1","169","181","10.1039/D1CE01261D","","","0.71073","MoKα","","0.0648","0.0423","","","0.0894","0.1008","","","","","","1.125","","","","has coordinates","271657","2022-01-01","00:11:12",""
"7244121","6.6218","0.0004","9.3168","0.0008","9.4721","0.0007","114.317","0.007","95.498","0.006","105.293","0.007","499.59","0.08","290.77","0.11","290.77","0.11","","","","","","","","6","P -1","-P 1","2","","","","- C7 H6 In N O8 P -","- C7 H6 In N O8 P -","- C14 H12 In2 N2 O16 P2 -","2","1","","Zhang, Junfeng; Lei, Qing; Luan, Lindong; Zeng, Hongmei; Zou, Guohong; Lin, Zhien","N-methylimidazolium containing metal phosphate-oxalates: solvent-free synthesis, crystal structure, and proton conduction","CrystEngComm","2022","","","","","10.1039/D1CE01659H","","x-ray","1.54184","CuKα","","0.0501","0.0489","","","0.126","0.1273","","","","","","1.088","","","","has coordinates","271769","2022-01-03","23:25:37",""
"7244122","9.1586","0.0002","10.0083","0.0003","12.7498","0.0004","90","","94.467","0.002","90","","1165.12","0.06","295.7","0.5","295.7","0.5","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H10 Fe N2 O10 P2 -","- C5 H10 Fe N2 O10 P2 -","- C20 H40 Fe4 N8 O40 P8 -","4","1","","Zhang, Junfeng; Lei, Qing; Luan, Lindong; Zeng, Hongmei; Zou, Guohong; Lin, Zhien","N-methylimidazolium containing metal phosphate-oxalates: solvent-free synthesis, crystal structure, and proton conduction","CrystEngComm","2022","","","","","10.1039/D1CE01659H","","x-ray","1.54184","CuKα","","0.0661","0.0625","","","0.1566","0.162","","","","","","1.08","","","","has coordinates","271769","2022-01-03","23:25:38",""
"7244123","11.26","0.005","11.656","0.005","12.787","0.005","79.302","0.005","84.606","0.005","68.048","0.005","1529","1.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H12 Cu2 Mo12 N12 O44 P -","- C24 H12 Cu2 Mo12 N12 O44 P -","- C24 H12 Cu2 Mo12 N12 O44 P -","1","0.5","","Li, Meng-Ting; Sun, Jing-Wen; Yi-Fei-Liu,; Niu, Mei-Hui; Zou, Han-Yu; Sun, Da-Qiang; Yu, Yang","POM-based metal organic frameworks with a woven fabric structure for lithium storage","CrystEngComm","2022","24","6","1279","1284","10.1039/D1CE01538A","","","0.71069","MoKα","","0.1479","0.0824","","","0.2423","0.2982","","","","","","1.048","","","","has coordinates","273356","2022-03-04","22:09:02",""
"7244124","14.1506","0.0013","14.5033","0.0014","22.5841","0.0017","90","","90.46","0.003","90","","4634.8","0.7","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H102 Cd2 Cl8 N34 O34 -","- C58 H80 Cd2 Cl8 N34 O24 -","- C116 H160 Cd4 Cl16 N68 O48 -","2","0.5","","Zhang, Zeng-Hui; Lin, Rui-Lian; Yu, Xiang-Yun; Chen, Li-Xia; Tao, Zhu; Xiao, Xin; Wei, Gang; Redshaw, Carl; Liu, Jing-Xin","Encapsulation of l-valine, d-leucine and d-methionine by cucurbit[8]uril","CrystEngComm","2022","24","5","1035","1040","10.1039/D1CE01513C","","","0.71073","MoKα","","0.0797","0.0703","","","0.206","0.2127","","","","","","1.007","","","","has coordinates","272616","2022-02-04","19:20:31",""
"7244125","14.075","0.005","14.636","0.004","22.677","0.007","90","","90.564","0.012","90","","4671","3","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H105 Cd2 Cl8 N34 O34 -","- C60 H76 Cd2 Cl8 N34 O24 -","- C120 H152 Cd4 Cl16 N68 O48 -","2","0.5","","Zhang, Zeng-Hui; Lin, Rui-Lian; Yu, Xiang-Yun; Chen, Li-Xia; Tao, Zhu; Xiao, Xin; Wei, Gang; Redshaw, Carl; Liu, Jing-Xin","Encapsulation of l-valine, d-leucine and d-methionine by cucurbit[8]uril","CrystEngComm","2022","24","5","1035","1040","10.1039/D1CE01513C","","","0.71073","MoKα","","0.0996","0.0697","","","0.2175","0.2364","","","","","","1.003","","","","has coordinates","272616","2022-02-04","19:20:31",""
"7244126","17.535","0.006","17.696","0.007","18.62","0.007","69.886","0.011","78.459","0.012","66.732","0.011","4970","3","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C53 H81 Cd Cl4 N33 O28 S -","- C53 H60 Cd Cl4 N33 O20 S -","- C106 H120 Cd2 Cl8 N66 O40 S2 -","2","1","","Zhang, Zeng-Hui; Lin, Rui-Lian; Yu, Xiang-Yun; Chen, Li-Xia; Tao, Zhu; Xiao, Xin; Wei, Gang; Redshaw, Carl; Liu, Jing-Xin","Encapsulation of l-valine, d-leucine and d-methionine by cucurbit[8]uril","CrystEngComm","2022","24","5","1035","1040","10.1039/D1CE01513C","","","0.71073","MoKα","","0.1668","0.1141","","","0.2978","0.3415","","","","","","1.011","","","","has coordinates","272616","2022-02-04","19:20:31",""
"7244127","10.9002","0.0005","11.5504","0.0005","14.7377","0.0007","89.771","0.001","86.393","0.001","81.188","0.001","1829.94","0.14","293","2","293","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H40 Cu2 Mo12 N12 O50.5 P -","- C24 H40 Cu2 Mo12 N12 O50.5 P -","- C24 H40 Cu2 Mo12 N12 O50.5 P -","1","0.5","","Cui, Zi-Wei; Lu, Jun-Jun; Lin, Hong-Yan; Luan, Jian; Chang, Zhi-Han; Li, Xiao-Hui; Wang, Xiu-Li","Four Keggin-type polyoxometalate-based complexes derived from bis(pyrazine)–bis(amide) ligands for electrochemical sensing of multiple analytes and adsorbing dye molecules","CrystEngComm","2022","24","4","828","836","10.1039/D1CE01403J","","x-ray","0.71073","MoKα","K-L~3~","0.0898","0.0748","","","0.163","0.17","","","","","","1.165","","","","has coordinates,has disorder","272619","2022-02-04","19:21:06",""
"7244128","16.046","0.0011","20.6074","0.0014","18.8644","0.0013","90","","96.972","0.002","90","","6191.7","0.7","293","2","293","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 Cu2 Mo12 N12 O47 Si -","- C24 H30 Cu2 Mo12 N12 O47 Si -","- C96 H120 Cu8 Mo48 N48 O188 Si4 -","4","1","","Cui, Zi-Wei; Lu, Jun-Jun; Lin, Hong-Yan; Luan, Jian; Chang, Zhi-Han; Li, Xiao-Hui; Wang, Xiu-Li","Four Keggin-type polyoxometalate-based complexes derived from bis(pyrazine)–bis(amide) ligands for electrochemical sensing of multiple analytes and adsorbing dye molecules","CrystEngComm","2022","24","4","828","836","10.1039/D1CE01403J","","x-ray","0.71073","MoKα","K-L~3~","0.1127","0.0621","","","0.1495","0.1791","","","","","","1.012","","","","has coordinates","272619","2022-02-04","19:21:06",""
"7244129","15.8588","0.0014","21.3036","0.0014","10.4152","0.0008","90","","98.134","0.002","90","","3483.4","0.5","296","2","296.15","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C28 H41 Co2 N12 O49.5 Si W12 -","- C28 H41 Co2 N12 O49.5 Si W12 -","- C56 H82 Co4 N24 O99 Si2 W24 -","2","0.25","","Cui, Zi-Wei; Lu, Jun-Jun; Lin, Hong-Yan; Luan, Jian; Chang, Zhi-Han; Li, Xiao-Hui; Wang, Xiu-Li","Four Keggin-type polyoxometalate-based complexes derived from bis(pyrazine)–bis(amide) ligands for electrochemical sensing of multiple analytes and adsorbing dye molecules","CrystEngComm","2022","24","4","828","836","10.1039/D1CE01403J","","x-ray","0.71073","MoKα","K-L~3~","0.0493","0.0348","","","0.0778","0.0854","","","","","","1.043","","","","has coordinates,has disorder","272619","2022-02-04","19:21:06",""
"7244130","10.1453","0.0007","17.138","0.0011","19.2588","0.0012","90","","96.218","0.002","90","","3328.8","0.4","273","2","273.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H48 Cu2 N12 O52 Si W12 -","- C28 H48 Cu2 N12 O52 Si W12 -","- C56 H96 Cu4 N24 O104 Si2 W24 -","2","0.5","","Cui, Zi-Wei; Lu, Jun-Jun; Lin, Hong-Yan; Luan, Jian; Chang, Zhi-Han; Li, Xiao-Hui; Wang, Xiu-Li","Four Keggin-type polyoxometalate-based complexes derived from bis(pyrazine)–bis(amide) ligands for electrochemical sensing of multiple analytes and adsorbing dye molecules","CrystEngComm","2022","24","4","828","836","10.1039/D1CE01403J","","x-ray","0.71073","MoKα","K-L~3~","0.1286","0.0689","","","0.1058","0.1225","","","","","","1.075","","","","has coordinates,has disorder","272619","2022-02-04","19:21:06",""
"7244131","14.0968","0.0004","10.5774","0.0003","15.0772","0.0005","90","","109.13","","90","","2123.98","0.11","296.15","","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H36 Mo6 N8 Ni2 O30 Te -","- C20 H36 Mo6 N8 Ni2 O30 Te -","- C40 H72 Mo12 N16 Ni4 O60 Te2 -","2","0.5","","Xu, Xi; Zhang, Yanping; Ying, Jun; Jin, Liang; Tian, Aixiang; Wang, Xiuli","Five POM-based compounds modified by mono- and bis-triazole derivatives: photocatalytic, electrochemical and supercapacitor properties","CrystEngComm","2022","","","","","10.1039/D1CE01596F","","","0.71073","MoKα","","0.0219","0.0197","","","0.049","0.0499","","","","","","1.104","","","","has coordinates","271803","2022-01-04","23:43:57",""
"7244132","14.0938","0.0009","10.6509","0.0009","15.1734","0.0011","90","","109.21","0.001","90","","2150.9","0.3","296.15","","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H36 Mo6 N8 O30 Te Zn2 -","- C20 H36 Mo6 N8 O30 Te Zn2 -","- C40 H72 Mo12 N16 O60 Te2 Zn4 -","2","0.5","","Xu, Xi; Zhang, Yanping; Ying, Jun; Jin, Liang; Tian, Aixiang; Wang, Xiuli","Five POM-based compounds modified by mono- and bis-triazole derivatives: photocatalytic, electrochemical and supercapacitor properties","CrystEngComm","2022","","","","","10.1039/D1CE01596F","","","0.71073","MoKα","","0.0233","0.019","","","0.0469","0.0488","","","","","","1.043","","","","has coordinates","271803","2022-01-04","23:43:58",""
"7244133","12.5062","0.0005","16.3162","0.0007","12.9106","0.0006","90","","94.116","0.001","90","","2627.7","0.2","296.15","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H30 Co Mo8 N8 O28 -","- C20 H30 Co Mo8 N8 O28 -","- C40 H60 Co2 Mo16 N16 O56 -","2","0.5","","Xu, Xi; Zhang, Yanping; Ying, Jun; Jin, Liang; Tian, Aixiang; Wang, Xiuli","Five POM-based compounds modified by mono- and bis-triazole derivatives: photocatalytic, electrochemical and supercapacitor properties","CrystEngComm","2022","","","","","10.1039/D1CE01596F","","","0.71073","MoKα","","0.047","0.0323","","","0.0788","0.084","","","","","","1.038","","","","has coordinates","271803","2022-01-04","23:43:58",""
"7244134","7.388","0.0005","10.9847","0.0007","12.672","0.0009","84.161","0.001","80.99","0.001","73.956","0.001","974.29","0.11","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C10 H12 Cu Mo4 N4 O13 -","- C10 H12 Cu Mo4 N4 O13 -","- C20 H24 Cu2 Mo8 N8 O26 -","2","1","","Xu, Xi; Zhang, Yanping; Ying, Jun; Jin, Liang; Tian, Aixiang; Wang, Xiuli","Five POM-based compounds modified by mono- and bis-triazole derivatives: photocatalytic, electrochemical and supercapacitor properties","CrystEngComm","2022","","","","","10.1039/D1CE01596F","","","0.71073","MoKα","","0.0651","0.0356","","","0.0668","0.0765","","","","","","0.981","","","","has coordinates,has disorder","271803","2022-01-04","23:43:58",""
"7244135","12.4291","0.0009","12.762","0.001","25.4693","0.0019","78.479","0.002","89.827","0.002","76.701","0.002","3848.5","0.5","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C60 H74 Cu6 N30 O88 P2 W24 -","- C60 H74 Cu6 N30 O88 P2 W24 -","- C60 H74 Cu6 N30 O88 P2 W24 -","1","0.5","","Xu, Xi; Zhang, Yanping; Ying, Jun; Jin, Liang; Tian, Aixiang; Wang, Xiuli","Five POM-based compounds modified by mono- and bis-triazole derivatives: photocatalytic, electrochemical and supercapacitor properties","CrystEngComm","2022","","","","","10.1039/D1CE01596F","","","0.71073","MoKα","","0.1058","0.0608","","","0.1411","0.1591","","","","","","1.052","","","","has coordinates,has disorder","271803","2022-01-04","23:43:58",""
"7244137","12.47","0.003","10.334","0.002","13.219","0.003","90","","111.93","0.03","90","","1580.2","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 N3 O9 Y -","- C10 H16 N3 O9 Y -","- C40 H64 N12 O36 Y4 -","4","1","","Park, Jiwon; Koo, Jin Young; Choi, Hee Cheul","The solvent influenced coordination variation of flexible ligands to Y(iii) towards MOF structural diversity","CrystEngComm","2022","24","4","846","853","10.1039/D1CE01429C","","","0.8","synchrotron","","0.0621","0.057","","","0.1544","0.1583","","","","","","1.089","","","","has coordinates","272618","2022-02-04","19:20:47",""
"7244138","7.19","0.0014","7.578","0.0015","9.979","0.002","71.83","0.03","83.47","0.03","84.8","0.03","512.4","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H8 O7 Y -","- C9 H6 O7 Y -","- C18 H12 O14 Y2 -","2","1","","Park, Jiwon; Koo, Jin Young; Choi, Hee Cheul","The solvent influenced coordination variation of flexible ligands to Y(iii) towards MOF structural diversity","CrystEngComm","2022","24","4","846","853","10.1039/D1CE01429C","","","0.7","synchrotron","","0.0731","0.0611","","","0.1613","0.1699","","","","","","1.14","","","","has coordinates","272618","2022-02-04","19:20:47",""
"7244139","7.635","0.0015","10.112","0.002","11.216","0.002","115.76","0.03","105.96","0.03","95.18","0.03","727.5","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H13 N O7 Y -","- C12 H13 N O7 Y -","- C24 H26 N2 O14 Y2 -","2","1","","Park, Jiwon; Koo, Jin Young; Choi, Hee Cheul","The solvent influenced coordination variation of flexible ligands to Y(iii) towards MOF structural diversity","CrystEngComm","2022","24","4","846","853","10.1039/D1CE01429C","","","0.7","synchrotron","","0.057","0.0558","","","0.1578","0.1591","","","","","","1.185","","","","has coordinates,has disorder","272618","2022-02-04","19:20:47",""
"7244140","9.621","0.0019","9.918","0.002","11.149","0.002","77.87","0.03","80.29","0.03","79.96","0.03","1014.5","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H24 N2 O10 Y -","- C15 H20 N2 O10 Y -","- C30 H40 N4 O20 Y2 -","2","1","","Park, Jiwon; Koo, Jin Young; Choi, Hee Cheul","The solvent influenced coordination variation of flexible ligands to Y(iii) towards MOF structural diversity","CrystEngComm","2022","24","4","846","853","10.1039/D1CE01429C","","","0.7","synchrotron","","0.0789","0.0718","","","0.2031","0.2113","","","","","","1.168","","","","has coordinates,has disorder","272618","2022-02-04","19:20:47",""
"7244141","8.52","0.0017","10.069","0.002","16.751","0.003","81.28","0.03","79.95","0.03","79.63","0.03","1381.1","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H29 N2 O18.5 Y2 -","- C18 H20 N2 O18.5 Y2 -","- C36 H40 N4 O37 Y4 -","2","1","","Park, Jiwon; Koo, Jin Young; Choi, Hee Cheul","The solvent influenced coordination variation of flexible ligands to Y(iii) towards MOF structural diversity","CrystEngComm","2022","24","4","846","853","10.1039/D1CE01429C","","","0.75","synchrotron","","0.0789","0.0699","","","0.2312","0.2438","","","","","","1.115","","","","has coordinates,has disorder","272618","2022-02-04","19:20:47",""
"7244142","9.573","0.0019","14.857","0.003","19.601","0.004","99.49","0.03","95.46","0.03","101.53","0.03","2670.4","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H58 N6 O26 Y4 -","- C34 H50 N6 O26 Y4 -","- C68 H100 N12 O52 Y8 -","2","1","","Park, Jiwon; Koo, Jin Young; Choi, Hee Cheul","The solvent influenced coordination variation of flexible ligands to Y(iii) towards MOF structural diversity","CrystEngComm","2022","24","4","846","853","10.1039/D1CE01429C","","","0.8","synchrotron","","0.1413","0.1002","","","0.3066","0.3316","","","","","","1.173","","","","has coordinates","272618","2022-02-04","19:20:47",""
"7244143","13.7701","0.0004","11.51","0.0003","29.1745","0.0007","90","","90.088","0.002","90","","4624","0.2","150","0.3","150","0.3","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C20 H20 Cd2 N2 O15 -","- C20 H20 Cd2 N2 O15 -","- C160 H160 Cd16 N16 O120 -","8","1","","Rixson, Daniel; Günay Sezer, Güneş; Alp, Emre; Mahon, Mary F.; Burrows, Andrew D.","Synthesis, structures and properties of metal–organic frameworks prepared using a semi-rigid tricarboxylate linker","CrystEngComm","2022","24","4","863","876","10.1039/D1CE01284C","","x-ray","0.71073","MoKα","","0.0373","0.0321","","","0.0638","0.0659","","","","","","1.074","","","","has coordinates","272620","2022-02-04","19:22:03",""
"7244144","8.0862","0.0015","8.1863","0.0013","8.4893","0.0011","72.651","0.013","81.681","0.013","65.767","0.017","488.97","0.15","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C20 H12 Cd3 N2 O12 -","- C20 H12 Cd3 N2 O12 -","- C20 H12 Cd3 N2 O12 -","1","0.5","","Rixson, Daniel; Günay Sezer, Güneş; Alp, Emre; Mahon, Mary F.; Burrows, Andrew D.","Synthesis, structures and properties of metal–organic frameworks prepared using a semi-rigid tricarboxylate linker","CrystEngComm","2022","24","4","863","876","10.1039/D1CE01284C","","x-ray","1.54184","CuKα","","0.0614","0.0488","","","0.1187","0.1273","","","","","","1.045","","","","has coordinates","272620","2022-02-04","19:22:03",""
"7244145","9.0126","0.0001","18.6624","0.0001","9.1644","0.0001","90","","103.467","0.001","90","","1499.04","0.03","150","0.1","150","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H30 Cd3 N2 O21 -","- C20 H30 Cd3 N2 O21 -","- C40 H60 Cd6 N4 O42 -","2","1","","Rixson, Daniel; Günay Sezer, Güneş; Alp, Emre; Mahon, Mary F.; Burrows, Andrew D.","Synthesis, structures and properties of metal–organic frameworks prepared using a semi-rigid tricarboxylate linker","CrystEngComm","2022","24","4","863","876","10.1039/D1CE01284C","","x-ray","1.54184","CuKα","","0.0418","0.0418","","","0.1045","0.1045","","","","","","1.072","","","","has coordinates,has disorder","272620","2022-02-04","19:22:03",""
"7244146","4.8959","0.0001","10.063","0.0003","11.3009","0.0004","90","","95.584","0.003","90","","554.12","0.03","149.9","0.3","149.9","0.3","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H11 N O8 Zn -","- C10 H11 N O8 Zn -","- C20 H22 N2 O16 Zn2 -","2","1","","Rixson, Daniel; Günay Sezer, Güneş; Alp, Emre; Mahon, Mary F.; Burrows, Andrew D.","Synthesis, structures and properties of metal–organic frameworks prepared using a semi-rigid tricarboxylate linker","CrystEngComm","2022","24","4","863","876","10.1039/D1CE01284C","","x-ray","1.54184","CuKα","","0.0314","0.0308","","","0.0803","0.081","","","","","","1.068","","","","has coordinates","272620","2022-02-04","19:22:03",""
"7244147","4.8412","0.0002","10.1675","0.0004","11.332","0.0004","90","","95.158","0.004","90","","555.54","0.04","150","0.1","150","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H11 Co N O8 -","- C10 H11 Co N O8 -","- C20 H22 Co2 N2 O16 -","2","1","","Rixson, Daniel; Günay Sezer, Güneş; Alp, Emre; Mahon, Mary F.; Burrows, Andrew D.","Synthesis, structures and properties of metal–organic frameworks prepared using a semi-rigid tricarboxylate linker","CrystEngComm","2022","24","4","863","876","10.1039/D1CE01284C","","x-ray","1.54184","CuKα","","0.0472","0.0461","","","0.1224","0.1241","","","","","","1.044","","","","has coordinates","272620","2022-02-04","19:22:03",""
"7244148","4.9056","0.0005","9.7392","0.001","11.4649","0.0014","90","","97.117","0.01","90","","543.53","0.1","150.1","0.4","150.1","0.4","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H9.4 Cu N O7.2 -","- C10 H9.4 Cu N O7.2 -","- C20 H18.8 Cu2 N2 O14.4 -","2","1","","Rixson, Daniel; Günay Sezer, Güneş; Alp, Emre; Mahon, Mary F.; Burrows, Andrew D.","Synthesis, structures and properties of metal–organic frameworks prepared using a semi-rigid tricarboxylate linker","CrystEngComm","2022","24","4","863","876","10.1039/D1CE01284C","","x-ray","0.71073","MoKα","","0.0611","0.0481","","","0.0958","0.0989","","","","","","0.953","","","","has coordinates","272620","2022-02-04","19:22:03",""
"7244149","7.4213","0.0003","19.3205","0.0006","10.8081","0.0004","90","","96.871","0.003","90","","1538.57","0.1","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H17 N O12 Zn2 -","- C10 H13 N O12 Zn2 -","- C40 H52 N4 O48 Zn8 -","4","1","","Rixson, Daniel; Günay Sezer, Güneş; Alp, Emre; Mahon, Mary F.; Burrows, Andrew D.","Synthesis, structures and properties of metal–organic frameworks prepared using a semi-rigid tricarboxylate linker","CrystEngComm","2022","24","4","863","876","10.1039/D1CE01284C","","x-ray","0.71073","MoKα","","0.0391","0.0323","","","0.0774","0.0808","","","","","","1.081","","","","has coordinates,has disorder","272620","2022-02-04","19:22:03",""
"7244150","14.1081","0.0001","14.3068","0.0002","23.1617","0.0003","90","","90.945","0.001","90","","4674.36","0.1","220","0.1","220","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C51.25 H105.75 Cd6 N7.75 O55.5 -","- C48.55 H63.45 Cd6 N6.85 O36.6 -","- C97.1 H126.9 Cd12 N13.7 O73.2 -","2","1","","Rixson, Daniel; Günay Sezer, Güneş; Alp, Emre; Mahon, Mary F.; Burrows, Andrew D.","Synthesis, structures and properties of metal–organic frameworks prepared using a semi-rigid tricarboxylate linker","CrystEngComm","2022","24","4","863","876","10.1039/D1CE01284C","","x-ray","1.54184","CuKα","","0.0648","0.0626","","","0.1711","0.1735","","","","","","1.013","","","","has coordinates,has disorder","272620","2022-02-04","19:22:03",""
"7244151","7.2467","0.0006","8.5509","0.0007","10.9978","0.0006","101.892","0.006","95.728","0.005","114.776","0.008","592.04","0.09","150","0.2","150","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H11 Cd N O8 -","- C10 H11 Cd N O8 -","- C20 H22 Cd2 N2 O16 -","2","1","","Rixson, Daniel; Günay Sezer, Güneş; Alp, Emre; Mahon, Mary F.; Burrows, Andrew D.","Synthesis, structures and properties of metal–organic frameworks prepared using a semi-rigid tricarboxylate linker","CrystEngComm","2022","24","4","863","876","10.1039/D1CE01284C","","x-ray","0.71073","MoKα","","0.0376","0.0335","","","0.0636","0.0668","","","","","","1.069","","","","has coordinates","272620","2022-02-04","19:22:03",""
"7244152","7.7777","0.0002","8.9715","0.0004","11.4851","0.0004","67.353","0.004","75.848","0.003","70.505","0.003","690.98","0.05","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C20 H28 Cd3 N2 O20 -","- C20 H28 Cd3 N2 O20 -","- C20 H28 Cd3 N2 O20 -","1","0.5","","Rixson, Daniel; Günay Sezer, Güneş; Alp, Emre; Mahon, Mary F.; Burrows, Andrew D.","Synthesis, structures and properties of metal–organic frameworks prepared using a semi-rigid tricarboxylate linker","CrystEngComm","2022","24","4","863","876","10.1039/D1CE01284C","","x-ray","1.54184","CuKα","","0.0216","0.0199","","","0.0489","0.0496","","","","","","1.026","","","","has coordinates","272620","2022-02-04","19:22:03",""
"7244153","11.9314","0.0004","26.0057","0.001","10.2556","0.0003","90","","101.605","0.003","90","","3117.1","0.19","296","","296","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H46 O6 Rh2 S2 -","- C28 H46 O6 Rh2 S2 -","- C112 H184 O24 Rh8 S8 -","4","1","","Kajiwara, Yuu; Nakai, Hidetaka","Crystal polymorphism and crystalline-state photochromism of a rhodium dithionite complex with n-methoxypropyl moieties","CrystEngComm","2022","","","","","10.1039/D1CE01613J","","","0.71075","MoKα","","0.0267","0.0232","","","0.0522","0.0535","","","","","","1","","","","has coordinates","271925","2022-01-06","23:38:14",""
"7244154","11.9641","0.0005","26.0973","0.001","10.2505","0.0004","90","","101.699","0.004","90","","3134","0.2","296","","296","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H46 O6 Rh2 S2 -","- C28 H46 O6 Rh2 S2 -","- C112 H184 O24 Rh8 S8 -","4","1","","Kajiwara, Yuu; Nakai, Hidetaka","Crystal polymorphism and crystalline-state photochromism of a rhodium dithionite complex with n-methoxypropyl moieties","CrystEngComm","2022","","","","","10.1039/D1CE01613J","","","0.71075","MoKα","","0.0323","0.0276","","","0.0648","0.0663","","","","","","1.014","","","","has coordinates","271925","2022-01-06","23:38:17",""
"7244155","11.9564","0.0004","26.0615","0.001","10.2663","0.0004","90","","101.52","0.004","90","","3134.6","0.2","296","","296","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H46 O6 Rh2 S2 -","- C28 H46 O6 Rh2 S2 -","- C112 H184 O24 Rh8 S8 -","4","1","","Kajiwara, Yuu; Nakai, Hidetaka","Crystal polymorphism and crystalline-state photochromism of a rhodium dithionite complex with n-methoxypropyl moieties","CrystEngComm","2022","","","","","10.1039/D1CE01613J","","","0.71075","MoKα","","0.033","0.0284","","","0.0685","0.0705","","","","","","1.001","","","","has coordinates","271925","2022-01-06","23:38:17",""
"7244156","12.0314","0.0004","26.2812","0.001","10.1334","0.0004","90","","102.376","0.003","90","","3129.7","0.2","296","","296","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H46 O6 Rh2 S2 -","- C28 H46 O6 Rh2 S2 -","- C112 H184 O24 Rh8 S8 -","4","1","","Kajiwara, Yuu; Nakai, Hidetaka","Crystal polymorphism and crystalline-state photochromism of a rhodium dithionite complex with n-methoxypropyl moieties","CrystEngComm","2022","","","","","10.1039/D1CE01613J","","","0.71075","MoKα","","0.03","0.0251","","","0.0576","0.0592","","","","","","1.051","","","","has coordinates","271925","2022-01-06","23:38:17",""
"7244157","11.9956","0.0005","26.2113","0.0009","10.1788","0.0003","90","","102.258","0.004","90","","3127.5","0.2","296","","296","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H46 O6 Rh2 S2 -","- C28 H46 O6 Rh2 S2 -","- C112 H184 O24 Rh8 S8 -","4","1","","Kajiwara, Yuu; Nakai, Hidetaka","Crystal polymorphism and crystalline-state photochromism of a rhodium dithionite complex with n-methoxypropyl moieties","CrystEngComm","2022","","","","","10.1039/D1CE01613J","","","0.71075","MoKα","","0.0297","0.0258","","","0.0621","0.0634","","","","","","1.059","","","","has coordinates","271925","2022-01-06","23:38:17",""
"7244158","12.0065","0.0006","26.2353","0.0011","10.1974","0.0003","90","","102.144","0.004","90","","3140.2","0.2","296","","296","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H46 O6 Rh2 S2 -","- C28 H46 O6 Rh2 S2 -","- C112 H184 O24 Rh8 S8 -","4","1","","Kajiwara, Yuu; Nakai, Hidetaka","Crystal polymorphism and crystalline-state photochromism of a rhodium dithionite complex with n-methoxypropyl moieties","CrystEngComm","2022","","","","","10.1039/D1CE01613J","","","0.71075","MoKα","","0.0384","0.0322","","","0.0777","0.0806","","","","","","1.05","","","","has coordinates","271925","2022-01-06","23:38:17",""
"7244159","12.017","0.0005","26.3115","0.0011","10.1716","0.0004","90","","102.509","0.004","90","","3139.8","0.2","296","","296","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H46 O6 Rh2 S2 -","- C28 H46 O6 Rh2 S2 -","- C112 H184 O24 Rh8 S8 -","4","1","","Kajiwara, Yuu; Nakai, Hidetaka","Crystal polymorphism and crystalline-state photochromism of a rhodium dithionite complex with n-methoxypropyl moieties","CrystEngComm","2022","","","","","10.1039/D1CE01613J","","","0.71075","MoKα","","0.0375","0.0313","","","0.0763","0.0792","","","","","","1.032","","","","has coordinates","271925","2022-01-06","23:38:17",""
"7244162","21.701","0.0007","6.1737","0.0002","20.5621","0.0007","90","","120.251","0.001","90","","2379.68","0.14","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H12 N2 O S -","- C13 H12 N2 O S -","- C104 H96 N16 O8 S8 -","8","1","","Tan, Sang Loon; Cardoso, Laura N. F.; de Souza, Marcus V. N.; Wardell, Solange M. S. V.; Wardell, James L.; Tiekink, Edward R. T.","Experimental and computational evidence for stabilising parallel, offset π[C(O)N(H)NC]⋯π(phenyl) interactions in acetohydrazide derivatives","CrystEngComm","2022","24","5","962","974","10.1039/D1CE01492G","","","0.71073","MoKα","","0.062","0.0421","","","0.1018","0.1108","","","","","","1.031","","","","has coordinates","272611","2022-02-04","19:19:53",""
"7244167","11.853","0.002","14.016","0.002","16.932","0.003","105.883","0.003","99.311","0.003","92.164","0.003","2659.9","0.8","296","2","296.15","","","","","","","","","8","P -1","-P 1","2","","","","- C64 H64 Fe2 Mo12 N8 Na2 O71 P8 -","- C64 H66 Fe2 Mo12 N8 Na2 O71 P8 -","- C64 H66 Fe2 Mo12 N8 Na2 O71 P8 -","1","0.5","","Bi, Hao-Xue; Yin, Xiao-Yu; Zhang, Xiu-Juan; Ma, Yuan-Yuan; Han, Zhan-Gang","Efficient visible-light-driven reduction of hexavalent chromium catalyzed by conjugated organic species modified hourglass-type phosphomolybdate hybrids","CrystEngComm","2022","24","5","1002","1009","10.1039/D1CE01467F","","x-ray","0.71073","MoKα","","0.079","0.0587","","","0.1579","0.1754","","","","","","1.018","","","","has coordinates,has disorder","272608","2022-02-04","19:19:16",""
"7244168","11.8092","0.0012","14.143","0.0015","17.0587","0.0019","106.843","0.0017","100","0.0016","91.8117","0.0016","2675.3","0.5","296","","296.15","","","","","","","","","8","P -1","-P 1","2","","","","- C64 H52 Mn2 Mo12 N8 Na4 O70 P8 -","- C64 H52 Mn2 Mo12 N8 Na2 O71 P8 -","- C64 H52 Mn2 Mo12 N8 Na2 O71 P8 -","1","0.5","","Bi, Hao-Xue; Yin, Xiao-Yu; Zhang, Xiu-Juan; Ma, Yuan-Yuan; Han, Zhan-Gang","Efficient visible-light-driven reduction of hexavalent chromium catalyzed by conjugated organic species modified hourglass-type phosphomolybdate hybrids","CrystEngComm","2022","24","5","1002","1009","10.1039/D1CE01467F","","x-ray","0.71073","MoKα","","0.0681","0.0483","","","0.1311","0.1451","","","","","","1.025","","","","has coordinates,has disorder","272608","2022-02-04","19:19:16",""
"7244169","11.856","0.001","14.0079","0.0012","16.8886","0.0014","105.922","0.0013","99.3799","0.0014","92.0586","0.0015","2651.5","0.4","296","2","296.15","","","","","","","","","8","P -1","-P 1","2","","","","- C64 H62 Co2 Mo12 N8 Na2 O70 P8 -","- C64 H62 Co2 Mo12 N8 Na2 O70 P8 -","- C64 H62 Co2 Mo12 N8 Na2 O70 P8 -","1","0.5","","Bi, Hao-Xue; Yin, Xiao-Yu; Zhang, Xiu-Juan; Ma, Yuan-Yuan; Han, Zhan-Gang","Efficient visible-light-driven reduction of hexavalent chromium catalyzed by conjugated organic species modified hourglass-type phosphomolybdate hybrids","CrystEngComm","2022","24","5","1002","1009","10.1039/D1CE01467F","","","0.71073","MoKα","","0.0659","0.0466","","","0.1248","0.1385","","","","","","1.022","","","","has coordinates","272608","2022-02-04","19:19:16",""
"7244170","12.079","0.002","13.62","0.002","17.023","0.003","75.738","0.003","80.286","0.003","89.388","0.003","2673.9","0.8","296","2","296.15","","","","","","","","","9","P -1","-P 1","2","","","","- C64 H60 K2 Mo12 N8 Na2 O69 P8 Zn -","- C64 H54 Mo12 N8 Na2 O70 P8 Zn2 -","- C64 H54 Mo12 N8 Na2 O70 P8 Zn2 -","1","0.5","","Bi, Hao-Xue; Yin, Xiao-Yu; Zhang, Xiu-Juan; Ma, Yuan-Yuan; Han, Zhan-Gang","Efficient visible-light-driven reduction of hexavalent chromium catalyzed by conjugated organic species modified hourglass-type phosphomolybdate hybrids","CrystEngComm","2022","24","5","1002","1009","10.1039/D1CE01467F","","x-ray","0.71073","MoKα","","0.0944","0.0601","","","0.1444","0.1727","","","","","","1.038","","","","has coordinates,has disorder","272608","2022-02-04","19:19:16",""
"7244171","12.5169","0.0015","12.5282","0.0016","15.952","0.003","99.623","0.003","98.647","0.003","112.828","0.002","2208.5","0.6","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C18 H88 As2 Cd4 Cl2 N12 O76 W18 -","- C18 H72 As2 Cd4 Cl2 N12 O74 W18 -","- C18 H72 As2 Cd4 Cl2 N12 O74 W18 -","1","0.5","","Hua, Jiai; Wei, Xueman; Ma, Xiang; Jiao, Jinzhe; Chai, Binghui; Wu, Chenbin; Zhang, Changli; Niu, Yulan","A {Cd4Cl2O14} cluster functionalized sandwich-type tungsto-arsenate as conformation modulator for misfolding Aβ peptide","CrystEngComm","2022","","","","","10.1039/D1CE01637G","","","0.71073","MoKα","","0.095","0.0799","","","0.1771","0.1896","","","","","","1.016","","","","has coordinates","271976","2022-01-10","23:29:12",""
"7244172","10.086","0.002","30.644","0.006","17.347","0.004","90","","90.27","0.03","90","","5361.5","1.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H30 N12 O14 Zn3 -","- C42 H30 N12 O14.06 Zn3 -","- C168 H120 N48 O56.24 Zn12 -","4","0.5","","Liu, Han-Fu; Tao, Ye; Qin, Xiao-Huan; Chen, Chao; Huang, Fu-Ping; Zhang, Xiu-Qing; Bian, He-Dong","Three-fold Interpenetrated Metal–Organic Framework as a Multifunctional Fluorescent Probe for Detecting 2,4,6-Trinitrophenol, Levofloxacin, and L-Cystine","CrystEngComm","2022","","","","","10.1039/D1CE01590G","","","0.71073","MoKα","","0.074","0.055","","","0.1207","0.1279","","","","","","1.031","","","","has coordinates,has disorder","271977","2022-01-10","23:29:40",""
"7244173","22.3971","0.0006","13.9013","0.0001","17.865","0.0005","90","","114.487","0.001","90","","5062","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H47 N5 O36 Pr3 -","- C35 H15 N5 O36 Pr3 -","- C140 H60 N20 O144 Pr12 -","4","0.5","","Nogueira, Bernardo Albuquerque; Carvalho, Maria; Paixão, José António; Eusébio, M. Ermelinda S.; Lopes, Susana M. M.; Pinho e Melo, Teresa M. V. D.; Fausto, Rui","Portrayal of the Color Polymorphism in the 5-Acetyl-derivative of ROY","CrystEngComm","2022","","","","","10.1039/D1CE01601F","","","0.71073","MoKα","","0.1139","0.0784","","","0.1559","0.1779","","","","","","1.162","","","","has coordinates","271978","2022-01-10","23:30:26",""
"7244174","25.451","0.003","14.4966","0.0014","7.1113","0.0007","90","","95.795","0.006","90","","2610.3","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-acetyl-2-((2-nitrophenyl)amino)thiophene-3-carbonitrile","","- C13 H9 N3 O3 S -","- C13 H9 N3 O3 S -","- C104 H72 N24 O24 S8 -","8","2","","Nogueira, Bernardo Albuquerque; Carvalho, Maria; Paixão, José António; Eusébio, M. Ermelinda S.; Lopes, Susana M. M.; Pinho e Melo, Teresa M. V. D.; Fausto, Rui","Portrayal of the Color Polymorphism in the 5-Acetyl-derivative of ROY","CrystEngComm","2022","","","","","10.1039/D1CE01601F","","","0.71073","MoKα","","0.0977","0.0584","","","0.1342","0.1582","","","","","","1.099","","","","has coordinates","271978","2022-01-10","23:30:27",""
"7244175","14.4786","0.0006","11.6381","0.0006","34.8047","0.0016","90","","90.017","0.003","90","","5864.7","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-amino-2,3,6-trifluorobenzonitrile 18-crown-6 associate 2:1","","- C26 H30 F6 N4 O6 -","- C26 H30 F6 N4 O6 -","- C208 H240 F48 N32 O48 -","8","1","","Vaganova, Tamara A.; Benassi, Enrico; Gatilov, Yurij V.; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Polyhalogenated aminobenzonitriles vs. their co-crystals with 18-crown-6: amino group position as a tool to control crystal packing and solid-state fluorescence","CrystEngComm","2022","24","5","987","1001","10.1039/D1CE01469B","","","0.71073","MoKα","","0.1868","0.1302","","","0.3871","0.4345","","","","","","1.482","","","","has coordinates","272610","2022-02-04","19:19:43",""
"7244176","7.6581","0.0003","7.3941","0.0003","13.4241","0.0006","90","","98.09","0.002","90","","752.57","0.05","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-amino-4-chloro-3,6-difluorobenzonitrile","","- C7 H2 Cl F2 N2 -","- C7 H3 Cl F2 N2 -","- C28 H12 Cl4 F8 N8 -","4","1","","Vaganova, Tamara A.; Benassi, Enrico; Gatilov, Yurij V.; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Polyhalogenated aminobenzonitriles vs. their co-crystals with 18-crown-6: amino group position as a tool to control crystal packing and solid-state fluorescence","CrystEngComm","2022","24","5","987","1001","10.1039/D1CE01469B","","","0.71073","MoKα","","0.0517","0.0396","","","0.107","0.1217","","","","","","1.059","","","","has coordinates","272610","2022-02-04","19:19:43",""
"7244177","9.7777","0.0019","7.7816","0.0015","10.246","0.0016","90","","99.955","0.008","90","","767.8","0.2","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","2-amino-4-chloro-3,5,6-trifluorobenzonitrile","","- C7 H2 Cl F3 N2 -","- C7 H2 Cl F3 N2 -","- C28 H8 Cl4 F12 N8 -","4","0.5","","Vaganova, Tamara A.; Benassi, Enrico; Gatilov, Yurij V.; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Polyhalogenated aminobenzonitriles vs. their co-crystals with 18-crown-6: amino group position as a tool to control crystal packing and solid-state fluorescence","CrystEngComm","2022","24","5","987","1001","10.1039/D1CE01469B","","","0.71073","MoKα","","0.1221","0.0962","","","0.2726","0.282","","","","","","1.016","","","","has coordinates","272610","2022-02-04","19:19:43",""
"7244178","7.5702","0.0005","5.8303","0.0003","15.8912","0.0011","90","","96.846","0.003","90","","696.38","0.08","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-amino-2,3,6-trifluorobenzonitrile","","- C7 H3 F3 N2 -","- C7 H3 F3 N2 -","- C28 H12 F12 N8 -","4","1","","Vaganova, Tamara A.; Benassi, Enrico; Gatilov, Yurij V.; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Polyhalogenated aminobenzonitriles vs. their co-crystals with 18-crown-6: amino group position as a tool to control crystal packing and solid-state fluorescence","CrystEngComm","2022","24","5","987","1001","10.1039/D1CE01469B","","","0.71073","MoKα","","0.0709","0.0455","","","0.1199","0.141","","","","","","1.026","","","","has coordinates","272610","2022-02-04","19:19:43",""
"7244179","14.459","0.0006","11.6131","0.0006","34.7535","0.0015","90","","90.333","0.003","90","","5835.5","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-amino-2,3,5-trifluorobenzonitrile 18-crown-6 associate 2:1","","- C26 H30 F6 N4 O6 -","- C26 H30 F6 N4 O6 -","- C208 H240 F48 N32 O48 -","8","1","","Vaganova, Tamara A.; Benassi, Enrico; Gatilov, Yurij V.; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Polyhalogenated aminobenzonitriles vs. their co-crystals with 18-crown-6: amino group position as a tool to control crystal packing and solid-state fluorescence","CrystEngComm","2022","24","5","987","1001","10.1039/D1CE01469B","","","0.71073","MoKα","","0.1175","0.0882","","","0.2544","0.2939","","","","","","0.954","","","","has coordinates,has disorder","272610","2022-02-04","19:19:43",""
"7244180","3.736","0.0007","8.4997","0.0017","10.654","0.002","90","","96.061","0.007","90","","336.43","0.11","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-amino-2,3,5-trifluorobenzonitrile","","- C7 H3 F3 N2 -","- C7 H3 F3 N2 -","- C14 H6 F6 N4 -","2","1","","Vaganova, Tamara A.; Benassi, Enrico; Gatilov, Yurij V.; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Polyhalogenated aminobenzonitriles vs. their co-crystals with 18-crown-6: amino group position as a tool to control crystal packing and solid-state fluorescence","CrystEngComm","2022","24","5","987","1001","10.1039/D1CE01469B","","","0.71073","MoKα","","0.038","0.0325","","","0.0949","0.102","","","","","","0.815","","","","has coordinates","272610","2022-02-04","19:19:43",""
"7244181","9.276","0.0004","9.884","0.0005","10.2679","0.0005","111.106","0.002","98.506","0.002","116.108","0.002","734","0.07","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","2-amino-4-chloro-3,6-difluorobenzonitrile 18-crown-6 associate 2:1","","- C26 H30 Cl2 F4 N4 O6 -","- C26 H30 Cl2 F4 N4 O6 -","- C26 H30 Cl2 F4 N4 O6 -","1","0.5","","Vaganova, Tamara A.; Benassi, Enrico; Gatilov, Yurij V.; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Polyhalogenated aminobenzonitriles vs. their co-crystals with 18-crown-6: amino group position as a tool to control crystal packing and solid-state fluorescence","CrystEngComm","2022","24","5","987","1001","10.1039/D1CE01469B","","","0.71073","MoKα","","0.0439","0.037","","","0.1032","0.1108","","","","","","1.035","","","","has coordinates","272610","2022-02-04","19:19:43",""
"7244182","9.4276","0.0006","9.9092","0.0006","10.3213","0.0007","111.749","0.002","97.219","0.003","116.798","0.002","747.91","0.09","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","2-amino-4-chloro-3,5,6-trifluorobenzonitrile 18-crown-6 associate 2:1","","- C26 H28 Cl2 F6 N4 O6 -","- C26 H28 Cl2 F6 N4 O6 -","- C26 H28 Cl2 F6 N4 O6 -","1","0.5","","Vaganova, Tamara A.; Benassi, Enrico; Gatilov, Yurij V.; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Polyhalogenated aminobenzonitriles vs. their co-crystals with 18-crown-6: amino group position as a tool to control crystal packing and solid-state fluorescence","CrystEngComm","2022","24","5","987","1001","10.1039/D1CE01469B","","","0.71073","MoKα","","0.042","0.0355","","","0.0925","0.0988","","","","","","1.031","","","","has coordinates","272610","2022-02-04","19:19:43",""
"7244183","7.0616","0.0004","12.96","0.0006","10.6639","0.0004","90","","94.752","0.004","90","","972.59","0.08","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 N4 O8 -","- C16 H22 N4 O8 -","- C32 H44 N8 O16 -","2","0.5","","Morales-Santana, Marcos; Chong-Canto, Sayuri; Santiago-Quintana, José Martín; Martínez-Martínez, Francisco J.; García-Báez, Efrén V.; Cruz, Alejandro; Rojas-Lima, Susana; Padilla-Martínez, Itzia I.","Microcrystalline solid–solid transformations of conformationally-responsive solvates, desolvates and a salt of N,N′-(1,4-phenylene)dioxalamic acid: the energetics of hydrogen bonding and n/π → π* interactions","CrystEngComm","2022","24","5","1017","1034","10.1039/D1CE01504D","","","0.71073","MoKα","","0.0607","0.0422","","","0.1065","0.1195","","","","","","1.029","","","","has coordinates","272609","2022-02-04","19:19:29",""
"7244184","7.6501","0.0002","11.8612","0.0004","10.4802","0.0003","90","","98.09","0.003","90","","941.5","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 N2 O8 S2 -","- C14 H20 N2 O8 S2 -","- C28 H40 N4 O16 S4 -","2","0.5","","Morales-Santana, Marcos; Chong-Canto, Sayuri; Santiago-Quintana, José Martín; Martínez-Martínez, Francisco J.; García-Báez, Efrén V.; Cruz, Alejandro; Rojas-Lima, Susana; Padilla-Martínez, Itzia I.","Microcrystalline solid–solid transformations of conformationally-responsive solvates, desolvates and a salt of N,N′-(1,4-phenylene)dioxalamic acid: the energetics of hydrogen bonding and n/π → π* interactions","CrystEngComm","2022","24","5","1017","1034","10.1039/D1CE01504D","","","1.5418","CuKα","","0.0499","0.0407","","","0.1073","0.1157","","","","","","1.05","","","","has coordinates","272609","2022-02-04","19:19:29",""
"7244185","9.547","0.0008","10.2921","0.0009","11.4084","0.0011","70.436","0.009","66.208","0.009","86.296","0.007","963.26","0.18","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H40 N6 O24 -","- C32 H40 N6 O24 -","- C32 H40 N6 O24 -","1","0.5","","Morales-Santana, Marcos; Chong-Canto, Sayuri; Santiago-Quintana, José Martín; Martínez-Martínez, Francisco J.; García-Báez, Efrén V.; Cruz, Alejandro; Rojas-Lima, Susana; Padilla-Martínez, Itzia I.","Microcrystalline solid–solid transformations of conformationally-responsive solvates, desolvates and a salt of N,N′-(1,4-phenylene)dioxalamic acid: the energetics of hydrogen bonding and n/π → π* interactions","CrystEngComm","2022","24","5","1017","1034","10.1039/D1CE01504D","","","0.71073","MoKα","","0.1456","0.0636","","","0.1528","0.1948","","","","","","0.985","","","","has coordinates","272609","2022-02-04","19:19:29",""
"7244186","5.9712","0.0003","7.004","0.0003","20.4618","0.0009","90","","98.336","0.004","90","","846.72","0.07","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H22 N4 O6 -","- C14 H22 N4 O6 -","- C28 H44 N8 O12 -","2","0.5","","Morales-Santana, Marcos; Chong-Canto, Sayuri; Santiago-Quintana, José Martín; Martínez-Martínez, Francisco J.; García-Báez, Efrén V.; Cruz, Alejandro; Rojas-Lima, Susana; Padilla-Martínez, Itzia I.","Microcrystalline solid–solid transformations of conformationally-responsive solvates, desolvates and a salt of N,N′-(1,4-phenylene)dioxalamic acid: the energetics of hydrogen bonding and n/π → π* interactions","CrystEngComm","2022","24","5","1017","1034","10.1039/D1CE01504D","","","0.71073","MoKα","","0.0441","0.0366","","","0.0945","0.1001","","","","","","1.049","","","","has coordinates","272609","2022-02-04","19:19:29",""
"7244187","8.5687","0.0006","15.4864","0.0011","9.023","0.0008","90","","94.159","0.007","90","","1194.18","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3 H14 B6 N2 O11 -","- C3 H14 B6 N2 O11 -","- C12 H56 B24 N8 O44 -","4","1","","Chen, Chong-An; Yang, Guo-Yu","Syntheses, Structures and Optical Properties of Two B3O7 Cluster-based Borates","CrystEngComm","2022","","","","","10.1039/D1CE01579F","","","0.71073","MoKα","","0.047","0.0362","","","0.0957","0.1018","","","","","","1.043","","","","has coordinates","271992","2022-01-11","23:29:48",""
"7244188","8.7306","0.0005","8.7306","0.0005","12.5809","0.0008","90","","90","","120","","830.48","0.09","296","2","296","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- B21 Ca3 H6 Li3 O39 -","- B21 Ca3 H6 Li3 O39 -","- B21 Ca3 H6 Li3 O39 -","1","0.166667","","Chen, Chong-An; Yang, Guo-Yu","Syntheses, Structures and Optical Properties of Two B3O7 Cluster-based Borates","CrystEngComm","2022","","","","","10.1039/D1CE01579F","","","0.71073","MoKα","","0.0341","0.0339","","","0.0973","0.0975","","","","","","1.086","","","","has coordinates","271992","2022-01-11","23:29:48",""
"7244189","14.3707","0.0004","14.3707","0.0004","36.5666","0.0013","90","","90","","90","","7551.6","0.4","293","2","293","2","","","","","","","","5","I 4/m c m","-I 4 2c","140","","","","- C24 H56 Br18 N8 Pb5 -","- C24 H56 Br18 N8 Pb5 -","- C96 H224 Br72 N32 Pb20 -","4","0.125","","Jung, Mi-Hee","The dual band and white-light emission from piperazine halide perovskites","CrystEngComm","2022","24","7","1413","1423","10.1039/D1CE01296G","","","0.71073","MoKα","","0.0734","0.0636","","","0.2312","0.24","","","","","","1.064","","","","has coordinates","273358","2022-03-04","22:09:39",""
"7244190","19.2189","0.0007","13.7924","0.0006","11.7827","0.0005","90","","90","","90","","3123.3","0.2","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C6 H14 Cl6 N2 Sn2 -","- C6 H14 Cl6 N2 Sn2 -","- C48 H112 Cl48 N16 Sn16 -","8","1","","Jung, Mi-Hee","The dual band and white-light emission from piperazine halide perovskites","CrystEngComm","2022","24","7","1413","1423","10.1039/D1CE01296G","","","0.71073","MoKα","","0.0244","0.0184","","","0.061","0.078","","","","","","0.968","","","","has coordinates","273358","2022-03-04","22:09:39",""
"7244198","7.6333","0.0013","8.2742","0.0014","13.236","0.002","90.191","0.002","93.865","0.002","109.561","0.002","785.6","0.2","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C8 H17 Br N2 O8 Re2 -","- C8 H17 Br N2 O8 Re2 -","- C16 H34 Br2 N4 O16 Re4 -","2","1","","Wan, Min; Wang, Yan-Ning; Liu, Jing-Yuan; Tong, Liang; Ye, Si-Yu; Li, Jun-Yi; Chen, Li-Zhuang","High temperature molecular-based phase transition compounds with tunable and switchable dielectric properties","CrystEngComm","2022","24","4","782","787","10.1039/D1CE01488A","","","0.71073","MoKα","","0.0257","0.0235","","","0.0577","0.0588","","","","","","1.068","","","","has coordinates","272621","2022-02-04","19:22:13",""
"7244199","8.8362","0.0005","12.7362","0.0005","13.7512","0.0005","91.289","0.002","94.366","0.002","96.252","0.002","1533.15","0.12","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C8 H17 Cl N2 O8 Re2 -","- C8 H17 Cl N2 O8 Re2 -","- C32 H68 Cl4 N8 O32 Re8 -","4","2","","Wan, Min; Wang, Yan-Ning; Liu, Jing-Yuan; Tong, Liang; Ye, Si-Yu; Li, Jun-Yi; Chen, Li-Zhuang","High temperature molecular-based phase transition compounds with tunable and switchable dielectric properties","CrystEngComm","2022","24","4","782","787","10.1039/D1CE01488A","","","0.71073","MoKα","","0.0702","0.0593","","","0.1601","0.1649","","","","","","1.133","","","","has coordinates","272621","2022-02-04","19:22:13",""
"7244200","10.1928","0.0005","14.8794","0.0006","19.0803","0.0008","90","","90","","90","","2893.8","0.2","296","2","296.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H16 F N2 O8 Re2 -","- C8 H17 F N2 O8 Re2 -","- C64 H136 F8 N16 O64 Re16 -","8","1","","Wan, Min; Wang, Yan-Ning; Liu, Jing-Yuan; Tong, Liang; Ye, Si-Yu; Li, Jun-Yi; Chen, Li-Zhuang","High temperature molecular-based phase transition compounds with tunable and switchable dielectric properties","CrystEngComm","2022","24","4","782","787","10.1039/D1CE01488A","","","0.71073","MoKα","","0.0201","0.0159","","","0.0327","0.0338","","","","","","1.075","","","","has coordinates","272621","2022-02-04","19:22:13",""
"7244201","10.236","0.0013","14.7742","0.0019","19.084","0.002","90","","90","","90","","2886","0.6","296","2","296.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H17 N2 O8 Re2 -","- C8 H18 N2 O8 Re2 -","- C64 H144 N16 O64 Re16 -","8","1","","Wan, Min; Wang, Yan-Ning; Liu, Jing-Yuan; Tong, Liang; Ye, Si-Yu; Li, Jun-Yi; Chen, Li-Zhuang","High temperature molecular-based phase transition compounds with tunable and switchable dielectric properties","CrystEngComm","2022","24","4","782","787","10.1039/D1CE01488A","","","0.71073","MoKα","","0.05","0.0399","","","0.094","0.1002","","","","","","1.083","","","","has coordinates","272621","2022-02-04","19:22:13",""
"7244202","4.9136","0.0004","14.4136","0.0011","17.9643","0.0014","92.224","0.002","93.232","0.002","92.069","0.002","1268.36","0.17","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C10 H25 N5 -","- C10 H25 N5 -","- C40 H100 N20 -","4","2","","Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J.","Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5","CrystEngComm","2022","24","6","1218","1236","10.1039/D1CE01534F","","","0.7749","synchrotron","","0.0645","0.0534","","","0.1319","0.137","","","","","","1.124","","","","has coordinates,has disorder","273355","2022-03-04","22:08:52",""
"7244203","9.8206","0.0008","13.9643","0.0011","13.9819","0.0011","90","","90","","90","","1917.4","0.3","150","","150","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C12 H28 F6 N5 Ni O2 P -","- C12 H28 F6 N5 Ni O2 P -","- C48 H112 F24 N20 Ni4 O8 P4 -","4","1","","Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J.","Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5","CrystEngComm","2022","24","6","1218","1236","10.1039/D1CE01534F","","","0.7749","synchrotron","","0.0275","0.0257","","","0.0673","0.0686","","","","","","1.059","","","","has coordinates","273355","2022-03-04","22:08:53",""
"7244204","5.1713","0.0004","27.181","0.002","18.8959","0.0014","90","","93.137","0.002","90","","2652","0.3","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H31 N3 O6 S3 -","- C25 H31 N3 O6 S3 -","- C100 H124 N12 O24 S12 -","4","1","","Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J.","Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5","CrystEngComm","2022","24","6","1218","1236","10.1039/D1CE01534F","","","0.7749","synchrotron","","0.0535","0.0394","","","0.0941","0.101","","","","","","1.04","","","","has coordinates","273355","2022-03-04","22:08:53",""
"7244205","8.652","0.0008","11.9224","0.001","18.0909","0.0015","90","","90","","90","","1866.1","0.3","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H25 Cl4 Co2 N5 -","- C10 H25 Cl4 Co2 N5 -","- C40 H100 Cl16 Co8 N20 -","4","1","","Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J.","Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5","CrystEngComm","2022","24","6","1218","1236","10.1039/D1CE01534F","","","0.7749","synchrotron","","0.0259","0.0238","","","0.0602","0.0612","","","","","","1.043","","","","has coordinates","273355","2022-03-04","22:08:53",""
"7244206","7.9184","0.0006","6.7907","0.0005","14.7266","0.0011","90","","100.133","0.002","90","","779.52","0.1","150.15","","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H25 Cl2 Fe N5 -","- C10 H25 Cl2 Fe N5 -","- C20 H50 Cl4 Fe2 N10 -","2","0.5","","Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J.","Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5","CrystEngComm","2022","24","6","1218","1236","10.1039/D1CE01534F","","","0.7749","synchrotron","","0.0231","0.0203","","","0.0515","0.0529","","","","","","1.061","","","","has coordinates,has disorder","273355","2022-03-04","22:08:53",""
"7244207","14.6083","0.0011","14.3727","0.0011","16.8252","0.0012","90","","103.155","0.003","90","","3439.9","0.4","150","","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H50 Cl6 Co3 N10 -","- C20 H50 Cl6 Co3 N10 -","- C80 H200 Cl24 Co12 N40 -","4","0.5","","Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J.","Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5","CrystEngComm","2022","24","6","1218","1236","10.1039/D1CE01534F","","","0.7749","synchrotron","","0.0357","0.0281","","","0.0664","0.0696","","","","","","1.034","","","","has coordinates","273355","2022-03-04","22:08:53",""
"7244208","9.1983","0.0007","9.1983","0.0007","43.795","0.004","90","","90","","120","","3209","0.5","150","","150","","","","","","","","","6","P 65","P 65","170","","","","- C10 H28 F12 Mn N6 P2 -","- C10 H28 F12 Mn N6 P2 -","- C60 H168 F72 Mn6 N36 P12 -","6","1","","Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J.","Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5","CrystEngComm","2022","24","6","1218","1236","10.1039/D1CE01534F","","","0.7749","synchrotron","","0.0601","0.0478","","","0.1168","0.1251","","","","","","1.024","","","","has coordinates,has disorder","273355","2022-03-04","22:08:53",""
"7244209","12.6817","0.001","25.67","0.003","12.8729","0.001","90","","106.102","0.007","90","","4026.2","0.7","150","","150","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C10 H25 F12 N5 P2 Zn -","- C10 H25 F11.996 N5 P2 Zn -","- C80 H200 F95.968 N40 P16 Zn8 -","8","1","","Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J.","Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5","CrystEngComm","2022","24","6","1218","1236","10.1039/D1CE01534F","","","0.7749","synchrotron","","0.0788","0.0628","","","0.1758","0.1896","","","","","","1.067","","","","has coordinates,has disorder","273355","2022-03-04","22:08:53",""
"7244210","9.0957","0.0008","9.2333","0.0009","22.464","0.002","97.589","0.003","93.469","0.002","96.344","0.002","1853.2","0.3","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C10 H25 Cl2 Cr F6 N5 P -","- C10 H25 Cl2 Cr F6 N5 P -","- C40 H100 Cl8 Cr4 F24 N20 P4 -","4","2","","Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J.","Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5","CrystEngComm","2022","24","6","1218","1236","10.1039/D1CE01534F","","","0.7749","synchrotron","","0.0611","0.0453","","","0.1058","0.1122","","","","","","1.05","","","","has coordinates,has disorder","273355","2022-03-04","22:08:53",""
"7244211","7.7456","0.0007","10.3834","0.0009","11.001","0.001","75.896","0.002","88.525","0.002","85.227","0.002","855.1","0.13","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C10 H21 Cl F6 N5 P Ru -","- C10 H21 Cl F6 N5 P Ru -","- C20 H42 Cl2 F12 N10 P2 Ru2 -","2","1","","Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J.","Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5","CrystEngComm","2022","24","6","1218","1236","10.1039/D1CE01534F","","","0.7749","synchrotron","","0.0258","0.0235","","","0.0604","0.0618","","","","","","1.029","","","","has coordinates,has disorder","273355","2022-03-04","22:08:53",""
"7244212","5.7301","0.0005","18.629","0.0015","16.8629","0.0016","90","","91.518","0.002","90","","1799.4","0.3","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H40 N2 O10 S4 -","- C34 H40 N2 O10 S4 -","- C68 H80 N4 O20 S8 -","2","0.5","","Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J.","Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5","CrystEngComm","2022","24","6","1218","1236","10.1039/D1CE01534F","","","0.7749","synchrotron","","0.0539","0.0351","","","0.085","0.0925","","","","","","1.023","","","","has coordinates","273355","2022-03-04","22:08:53",""
"7244213","18.619","0.002","9.6164","0.0008","11.7011","0.001","90","","110.806","0.004","90","","1958.4","0.3","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H28 Cl2 F6 N5 P -","- C10 H28 Cl2 F6 N5 P -","- C40 H112 Cl8 F24 N20 P4 -","4","0.5","","Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J.","Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5","CrystEngComm","2022","24","6","1218","1236","10.1039/D1CE01534F","","","0.7749","synchrotron","","0.0264","0.0245","","","0.0652","0.0664","","","","","","1.079","","","","has coordinates","273355","2022-03-04","22:08:53",""
"7244214","8.2222","0.0004","12.5513","0.0007","12.9958","0.0007","90","","104.977","0.002","90","","1295.6","0.12","150","","150","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C12 H31 Cu F12 N7 O4 P2 -","- C12 H31 Cu F12 N7 O4 P2 -","- C24 H62 Cu2 F24 N14 O8 P4 -","2","1","","Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J.","Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5","CrystEngComm","2022","24","6","1218","1236","10.1039/D1CE01534F","","","0.7749","synchrotron","","0.036","0.0355","","","0.0699","0.0702","","","","","","1.12","","","","has coordinates,has disorder","273355","2022-03-04","22:08:53",""
"7244215","17.9648","0.0014","19.2765","0.0014","12.8235","0.001","90","","90","","90","","4440.8","0.6","150","","150","2","","","","","","","","8","C m c e","-C 2ac 2","64","","","","- C13.76 H30.64 F6 Fe I0.12 N5 O3.76 P -","- C13.76 H30.64 F6 Fe I0.12 N5 O3.76 P -","- C110.08 H245.12 F48 Fe8 I0.96 N40 O30.08 P8 -","8","0.5","","Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J.","Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5","CrystEngComm","2022","24","6","1218","1236","10.1039/D1CE01534F","","","0.7749","synchrotron","","0.064","0.0528","","","0.1538","0.1651","","","","","","1.033","","","","has coordinates,has disorder","273355","2022-03-04","22:08:53",""
"7244216","15.3816","0.0011","9.2277","0.0011","12.6805","0.0011","90","","113.079","0.003","90","","1655.8","0.3","150","","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C10 H27 Cl3 Cr N5 O -","- C10 H27 Cl3 Cr N5 O -","- C40 H108 Cl12 Cr4 N20 O4 -","4","1","","Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J.","Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5","CrystEngComm","2022","24","6","1218","1236","10.1039/D1CE01534F","","","0.7749","synchrotron","","0.0355","0.0296","","","0.0552","0.057","","","","","","1.044","","","","has coordinates","273355","2022-03-04","22:08:53",""
"7244217","14.5128","0.0014","12.7676","0.0011","32.102","0.003","90","","90","","90","","5948.3","0.9","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H25 Cl2 Co N5 -","- C10 H25 Cl2 Co N5 -","- C160 H400 Cl32 Co16 N80 -","16","2","","Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J.","Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5","CrystEngComm","2022","24","6","1218","1236","10.1039/D1CE01534F","","","0.7749","synchrotron","","0.0742","0.0416","","","0.0836","0.0958","","","","","","1.034","","","","has coordinates,has disorder","273355","2022-03-04","22:08:53",""
"7244218","7.09","0.0005","15.0538","0.0011","16.4613","0.0012","90","","90","","90","","1756.9","0.2","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H13 Cl2 Cu N7 -","- C17 H13 Cl2 Cu N7 -","- C68 H52 Cl8 Cu4 N28 -","4","1","","Pramanik, Samit; Pathak, Sudipta; Frontera, Antonio; Mukhopadhyay, Subrata","Syntheses, crystal structures and supramolecular assemblies of two Cu(ii) complexes based on a new heterocyclic ligand: insights into C–H⋯Cl and π⋯π interactions","CrystEngComm","2022","24","8","1598","1611","10.1039/D1CE01402A","","","0.71073","MoKα","","0.0265","0.0223","","","0.0756","0.0881","","","","","","0.79","","","","has coordinates","273353","2022-03-04","22:07:53",""
"7244219","6.9172","0.0009","15.1342","0.0019","17.174","0.002","90","","90","","90","","1797.9","0.4","273","2","273","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H13 Cl Cu N8 O3 -","- C17 H13 Cl Cu N8 O3 -","- C68 H52 Cl4 Cu4 N32 O12 -","4","1","","Pramanik, Samit; Pathak, Sudipta; Frontera, Antonio; Mukhopadhyay, Subrata","Syntheses, crystal structures and supramolecular assemblies of two Cu(ii) complexes based on a new heterocyclic ligand: insights into C–H⋯Cl and π⋯π interactions","CrystEngComm","2022","24","8","1598","1611","10.1039/D1CE01402A","","","0.71073","MoKα","","0.0383","0.0348","","","0.1067","0.1122","","","","","","0.883","","","","has coordinates","273353","2022-03-04","22:07:54",""
"7244220","13.2557","0.001","5.3985","0.0004","23.3604","0.0018","90","","103.761","0.001","90","","1623.7","0.2","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","diphenyl ditelluride 1,2,4,5-tetrafluoro-3,6-diiodobenzene","","- C15 H10 F2 I Te2 -","- C15 H10 F2 I Te2 -","- C60 H40 F8 I4 Te8 -","4","1","","Torubaev, Yury V.; Skabitsky, Ivan V.; Anisimov, Aleksei A.; Ananyev, Ivan V.","Long-range supramolecular synthon polymorphism: a case study of two new polymorphic cocrystals of Ph2Te2–1,4-C6F4I2","CrystEngComm","2022","24","7","1442","1452","10.1039/D1CE01487K","","","0.71073","MoKα","","0.0242","0.0195","","","0.0417","0.0433","","","","","","1.0356","","","","has coordinates","273357","2022-03-04","22:09:20",""
"7244221","6.82","0.0004","8.6628","0.0005","33.6106","0.0019","90","","92.684","0.002","90","","1983.5","0.2","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","diphenylditelluride 1,4-diiodo-tetrafluorobenzene","","- C18 H10 F4 I2 Te2 -","- C18 H10 F4 I2 Te2 -","- C72 H40 F16 I8 Te8 -","4","0.5","","Torubaev, Yury V.; Skabitsky, Ivan V.; Anisimov, Aleksei A.; Ananyev, Ivan V.","Long-range supramolecular synthon polymorphism: a case study of two new polymorphic cocrystals of Ph2Te2–1,4-C6F4I2","CrystEngComm","2022","24","7","1442","1452","10.1039/D1CE01487K","","","0.71073","MoKα","","0.0479","0.045","","","0.0872","0.0879","","","","","","1.384","","","","has coordinates","273357","2022-03-04","22:09:30",""
"7244225","8.892","0.004","24.276","0.011","11.365","0.005","90","","109.798","0.007","90","","2308.3","1.8","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C92 H78 N12 O23 S4 Zn4 -","- C92 H78 N12 O23 S4 Zn4 -","- C92 H78 N12 O23 S4 Zn4 -","1","0.25","","Zeng, Na-Na; Ren, Li; Cui, Guang-Hua","Ultrasensitive fluorescence detection of norfloxacin in aqueous medium employing a 2D Zn(ii)-based coordination polymer","CrystEngComm","2022","24","5","931","935","10.1039/D1CE01537K","","","0.71073","MoKα","","0.1611","0.0663","","","0.1522","0.1959","","","","","","0.983","","","","has coordinates,has disorder","272615","2022-02-04","19:20:22",""
"7244226","8.1236","0.0001","14.0468","0.0002","16.9496","0.0003","90","","90","","90","","1934.13","0.05","93","","93","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C7 H8 Br3 N -","- C7 H8 Br3 N -","- C56 H64 Br24 N8 -","8","1","","Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko","Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D1CE01654G","","x-ray","1.54184","CuKα","","0.0362","0.0345","","","0.0967","0.098","","","","","","1.107","","","","has coordinates","272111","2022-01-18","23:32:59",""
"7244227","23.301","0.0002","11.3788","0.0001","8.8743","0.0001","90","","90","","90","","2352.91","0.04","173","","173","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C7.5 H9 Br3 Cl N -","- C7.5 H9 Br3 Cl N -","- C60 H72 Br24 Cl8 N8 -","8","1","","Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko","Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D1CE01654G","","x-ray","1.54184","CuKα","","0.0417","0.0397","","","0.1074","0.109","","","","","","1.086","","","","has coordinates,has disorder","272111","2022-01-18","23:33:00",""
"7244228","8.1294","0.0002","14.0393","0.0003","16.9502","0.0003","90","","90","","90","","1934.54","0.07","93","","93","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C7 H8 Br3 N -","- C7 H8 Br3 N -","- C56 H64 Br24 N8 -","8","1","","Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko","Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D1CE01654G","","x-ray","1.54184","CuKα","","0.0287","0.0275","","","0.072","0.0728","","","","","","1.115","","","","has coordinates","272111","2022-01-18","23:33:00",""
"7244229","23.3004","0.0002","11.3861","0.0001","8.8768","0.0001","90","","90","","90","","2355.02","0.04","178","","178","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C7.5 H9 Br3 Cl N -","- C7.5 H9 Br3 Cl N -","- C60 H72 Br24 Cl8 N8 -","8","1","","Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko","Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D1CE01654G","","x-ray","1.54184","CuKα","","0.0398","0.0377","","","0.1034","0.1052","","","","","","1.062","","","","has coordinates,has disorder","272111","2022-01-18","23:33:00",""
"7244230","23.3149","0.0005","11.3966","0.0003","8.87109","0.00018","90","","90","","90","","2357.14","0.09","203","","203","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C7.5 H8 Br3 Cl N -","- C7.5 H9 Br3 Cl N -","- C60 H72 Br24 Cl8 N8 -","8","1","","Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko","Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D1CE01654G","","x-ray","1.54184","CuKα","","0.0959","0.0928","","","0.2594","0.2658","","","","","","1.16","","","","has coordinates,has disorder","272111","2022-01-18","23:33:00",""
"7244231","23.3051","0.0002","11.4337","0.0001","8.8909","0.0001","90","","90","","90","","2369.1","0.04","223","","223","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C7.5 H9 Br3 Cl N -","- C7.5 H9 Br3 Cl N -","- C60 H72 Br24 Cl8 N8 -","8","1","","Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko","Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D1CE01654G","","x-ray","1.54184","CuKα","","0.0446","0.0424","","","0.1174","0.1192","","","","","","1.072","","","","has coordinates","272111","2022-01-18","23:33:01",""
"7244232","8.16082","0.00019","14.265","0.0003","17.0946","0.0004","90","","90","","90","","1990.05","0.08","293","2","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C7 H8 Br3 N -","- C7 H8 Br3 N -","- C56 H64 Br24 N8 -","8","1","","Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko","Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D1CE01654G","","x-ray","1.54184","CuKα","","0.0607","0.0568","","","0.1648","0.1694","","","","","","1.1","","","","has coordinates","272111","2022-01-18","23:33:01",""
"7244233","23.6012","0.0004","11.3363","0.0002","8.94002","0.00015","90","","90","","90","","2391.9","0.07","223","","223","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C7.5 H9 Br4 N -","- C7.5 H9 Br4 N -","- C60 H72 Br32 N8 -","8","1","","Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko","Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D1CE01654G","","x-ray","1.54184","CuKα","","0.0367","0.0338","","","0.0934","0.0953","","","","","","1.082","","","","has coordinates","272111","2022-01-18","23:33:01",""
"7244234","23.3","0.0002","11.4013","0.0001","8.881","0.0001","90","","90","","90","","2359.24","0.04","188","","188","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C7.5 H9 Br3 Cl N -","- C7.5 H9 Br3 Cl N -","- C60 H72 Br24 Cl8 N8 -","8","1","","Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko","Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D1CE01654G","","x-ray","1.54184","CuKα","","0.056","0.0542","","","0.1556","0.1577","","","","","","1.101","","","","has coordinates,has disorder","272111","2022-01-18","23:33:01",""
"7244235","23.715","0.0008","11.4034","0.0004","8.9608","0.0004","90","","90","","90","","2423.28","0.16","293","","293","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C7.5 H9 Br4 N -","- C7.5 H9 Br4 N -","- C60 H72 Br32 N8 -","8","1","","Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko","Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D1CE01654G","","x-ray","1.54184","CuKα","","0.0669","0.0576","","","0.1785","0.2082","","","","","","1.131","","","","has coordinates","272111","2022-01-18","23:33:01",""
"7244236","23.3143","0.0004","11.3889","0.0002","8.873","0.0002","90","","90","","90","","2356","0.08","198","","198","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C7.5 H9 Br3 Cl N -","- C7.5 H9 Br3 Cl N -","- C60 H72 Br24 Cl8 N8 -","8","1","","Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko","Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D1CE01654G","","x-ray","1.54184","CuKα","","0.0638","0.061","","","0.1785","0.1826","","","","","","1.066","","","","has coordinates,has disorder","272111","2022-01-18","23:33:01",""
"7244237","23.3143","0.0005","11.3349","0.0003","8.8651","0.0002","90","","90","","90","","2342.74","0.1","148","","148","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C7.5 H9 Br3 Cl N -","- C7.5 H9 Br3 Cl N -","- C60 H72 Br24 Cl8 N8 -","8","1","","Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko","Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D1CE01654G","","x-ray","1.54184","CuKα","","0.0579","0.0552","","","0.1559","0.1598","","","","","","1.095","","","","has coordinates","272111","2022-01-18","23:33:01",""
"7244238","23.3008","0.0002","11.372","0.0001","8.8724","0.0001","90","","90","","90","","2350.98","0.04","168","","168","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C7.5 H9 Br3 Cl N -","- C7.5 H9 Br3 Cl N -","- C60 H72 Br24 Cl8 N8 -","8","1","","Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko","Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D1CE01654G","","x-ray","1.54184","CuKα","","0.0378","0.0356","","","0.0973","0.0991","","","","","","1.078","","","","has coordinates,has disorder","272111","2022-01-18","23:33:01",""
"7244239","23.2933","0.0003","11.4091","0.0001","8.8839","0.0001","90","","90","","90","","2360.95","0.05","193","","193","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C7.5 H9 Br3 Cl N -","- C7.5 H9 Br3 Cl N -","- C60 H72 Br24 Cl8 N8 -","8","1","","Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko","Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D1CE01654G","","x-ray","1.54184","CuKα","","0.0398","0.0375","","","0.1038","0.1058","","","","","","1.064","","","","has coordinates,has disorder","272111","2022-01-18","23:33:01",""
"7244240","23.3005","0.0004","11.4213","0.0002","8.882","0.0002","90","","90","","90","","2363.7","0.08","223","","223","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C7.5 H9 Br3 Cl N -","- C7.5 H9 Br3 Cl N -","- C60 H72 Br24 Cl8 N8 -","8","1","","Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko","Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D1CE01654G","","x-ray","1.54184","CuKα","","0.0843","0.0811","","","0.2268","0.2321","","","","","","1.06","","","","has coordinates","272111","2022-01-18","23:33:01",""
"7244241","23.3401","0.0004","11.5126","0.0002","8.9207","0.0001","90","","90","","90","","2397.04","0.06","293","","293","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C7.5 H9 Br3 Cl N -","- C7.5 H9 Br3 Cl N -","- C60 H72 Br24 Cl8 N8 -","8","1","","Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko","Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D1CE01654G","","x-ray","1.54184","CuKα","","0.0434","0.0393","","","0.1055","0.1085","","","","","","1.075","","","","has coordinates","272111","2022-01-18","23:33:01",""
"7244242","23.3045","0.0002","11.3409","0.0001","8.8643","0.0001","90","","90","","90","","2342.78","0.04","148","","148","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C7.5 H9 Br3 Cl N -","- C7.5 H9 Br3 Cl N -","- C60 H72 Br24 Cl8 N8 -","8","1","","Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko","Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D1CE01654G","","x-ray","1.54184","CuKα","","0.0367","0.0346","","","0.0974","0.0993","","","","","","1.053","","","","has coordinates","272111","2022-01-18","23:33:01",""
"7244243","23.3229","0.0004","11.3803","0.00019","8.87309","0.00014","90","","90","","90","","2355.11","0.07","193","","193","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C7.5 H9 Br3 Cl N -","- C7.5 H9 Br3 Cl N -","- C60 H72 Br24 Cl8 N8 -","8","1","","Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko","Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D1CE01654G","","x-ray","1.54184","CuKα","","0.059","0.056","","","0.1576","0.161","","","","","","1.07","","","","has coordinates,has disorder","272111","2022-01-18","23:33:01",""
"7244244","23.3007","0.0002","11.4142","0.0001","8.8869","0.0001","90","","90","","90","","2363.55","0.04","198","","198","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C7.5 H9 Br3 Cl N -","- C7.5 H9 Br3 Cl N -","- C60 H72 Br24 Cl8 N8 -","8","1","","Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko","Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D1CE01654G","","x-ray","1.54184","CuKα","","0.045","0.0431","","","0.1216","0.1237","","","","","","1.061","","","","has coordinates,has disorder","272111","2022-01-18","23:33:01",""
"7244245","23.5252","0.0004","11.2799","0.0002","8.9163","0.0002","90","","90","","90","","2366.05","0.08","148","","148","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C7.5 H9 Br4 N -","- C7.5 H9 Br4 N -","- C60 H72 Br32 N8 -","8","1","","Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko","Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D1CE01654G","","x-ray","1.54184","CuKα","","0.049","0.0458","","","0.1146","0.1173","","","","","","1.034","","","","has coordinates","272111","2022-01-18","23:33:01",""
"7244246","23.303","0.0002","11.3934","0.0001","8.8783","0.0001","90","","90","","90","","2357.19","0.04","183","","183","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C7.5 H9 Br3 Cl N -","- C7.5 H9 Br3 Cl N -","- C60 H72 Br24 Cl8 N8 -","8","1","","Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko","Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D1CE01654G","","x-ray","1.54184","CuKα","","0.0466","0.0446","","","0.125","0.1272","","","","","","1.117","","","","has coordinates,has disorder","272111","2022-01-18","23:33:01",""
"7244247","14.7213","0.0001","8.5748","0.0001","23.2614","0.0003","90","","94.011","0.001","90","","2929.15","0.05","93","","93","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C2.05 H2.34 Br0.88 N0.29 -","- C2.04878 H2.34146 Br0.878049 N0.292683 -","- C84 H96 Br36 N12 -","41","10.25","","Yamashita, Yutaro; Tashiro, Shohei; Shionoya, Mitsuhiko","Orientational isomerisation of guest molecules in equilibrium in a tubular host crystal formed via halogen and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D1CE01654G","","x-ray","1.54184","CuKα","","0.0467","0.0447","","","0.1453","0.147","","","","","","1.109","","","","has coordinates","272111","2022-01-18","23:33:01",""
"7244248","22.4223","0.0012","7.1139","0.0004","25.519","0.0014","90","","101.57","0.002","90","","3987.8","0.4","120","","120","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H34 Br2 N4 O4 Zn -","- C48 H34 Br2 N4 O4 Zn -","- C192 H136 Br8 N16 O16 Zn4 -","4","0.5","","Yang, Zhan-Yong; Chen, Cao; Sang, Xiao; Hong, Yu-Xuan; Yu, Hong; Ni, Chun-Yan; Lang, Jian-Ping","Assembly of a Zn(II) coordination polymer of tetrapyridyl tetraene ligands for selective sensing of CrO42- and Fe3+ in water via luminescence quenching and enhancement","CrystEngComm","2022","","","","","10.1039/D1CE01706C","","","1.34138","GaKα","","0.0456","0.0396","","","0.1117","0.1166","","","","","","1.045","","","","has coordinates","272112","2022-01-18","23:35:12",""
"7244249","22.545","0.002","7.1602","0.0008","24.832","0.002","90","","102.401","0.003","90","","3915","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H34 F2 N4 O4 Zn -","- C48 H34 F2 N4 O4 Zn -","- C192 H136 F8 N16 O16 Zn4 -","4","0.5","","Yang, Zhan-Yong; Chen, Cao; Sang, Xiao; Hong, Yu-Xuan; Yu, Hong; Ni, Chun-Yan; Lang, Jian-Ping","Assembly of a Zn(II) coordination polymer of tetrapyridyl tetraene ligands for selective sensing of CrO42- and Fe3+ in water via luminescence quenching and enhancement","CrystEngComm","2022","","","","","10.1039/D1CE01706C","","","0.71073","MoKα","","0.104","0.0559","","","0.1114","0.1279","","","","","","1.043","","","","has coordinates","272112","2022-01-18","23:35:13",""
"7244250","16.9814","0.0009","5.7781","0.0003","20.4176","0.0008","90","","118.519","0.003","90","","1760.29","0.16","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C42 H28 N5 O6 Zn -","- C42 H28 N5 O6 Zn -","- C84 H56 N10 O12 Zn2 -","2","0.5","","Yang, Zhan-Yong; Chen, Cao; Sang, Xiao; Hong, Yu-Xuan; Yu, Hong; Ni, Chun-Yan; Lang, Jian-Ping","Assembly of a Zn(II) coordination polymer of tetrapyridyl tetraene ligands for selective sensing of CrO42- and Fe3+ in water via luminescence quenching and enhancement","CrystEngComm","2022","","","","","10.1039/D1CE01706C","","","0.71073","MoKα","","0.1017","0.0739","","","0.1931","0.2118","","","","","","1.041","","","","has coordinates,has disorder","272112","2022-01-18","23:35:13",""
"7244251","22.4956","0.0019","7.1451","0.0006","25.4267","0.0019","90","","101.767","0.004","90","","4001","0.6","296.15","","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H34 Cl2 N4 O4 Zn -","- C48 H34 Cl2 N4 O4 Zn -","- C192 H136 Cl8 N16 O16 Zn4 -","4","0.5","","Yang, Zhan-Yong; Chen, Cao; Sang, Xiao; Hong, Yu-Xuan; Yu, Hong; Ni, Chun-Yan; Lang, Jian-Ping","Assembly of a Zn(II) coordination polymer of tetrapyridyl tetraene ligands for selective sensing of CrO42- and Fe3+ in water via luminescence quenching and enhancement","CrystEngComm","2022","","","","","10.1039/D1CE01706C","","","0.71073","MoKα","","0.069","0.0448","","","0.1021","0.1119","","","","","","1.03","","","","has coordinates","272112","2022-01-18","23:35:13",""
"7244252","13.7446","0.0005","18.4533","0.0007","20.1499","0.0007","108.815","0.002","107.5","0.002","97.438","0.002","4466.2","0.3","293.02","","293.02","","","","","","","","","6","P 1","P 1","1","","","","- C176 H158 Cl4 Eu4 O51 P8 -","- C176 H136 Cl4 Eu4 O44 P8 -","- C176 H136 Cl4 Eu4 O44 P8 -","1","1","","Cui, Dongxu; Zhao, Hong-Lei; Kou, Jun-Ning; Sun, Chun-Yi; Wang, Xinlong; Su, Zhong-Min","Synthesis and multifunctional sensing of axially chiral tetranuclear europium clusters","CrystEngComm","2022","","","","","10.1039/D1CE01554K","","x-ray","1.54178","CuKα","K-L~3~","0.1093","0.0783","","","0.1859","0.2063","","","","","","1.044","","","","has coordinates","272113","2022-01-18","23:35:57",""
"7244253","13.7311","0.0009","18.3631","0.0012","20.1893","0.0013","108.665","0.003","107.697","0.003","97.375","0.003","4448.8","0.5","293","2","293.02","","","","","","","","","6","P 1","P 1","1","","","","- C176 H158 Cl4 Eu4 O51 P8 -","- C176 H136 Cl4 Eu4 O44 P8 -","- C176 H136 Cl4 Eu4 O44 P8 -","1","1","","Cui, Dongxu; Zhao, Hong-Lei; Kou, Jun-Ning; Sun, Chun-Yi; Wang, Xinlong; Su, Zhong-Min","Synthesis and multifunctional sensing of axially chiral tetranuclear europium clusters","CrystEngComm","2022","","","","","10.1039/D1CE01554K","","x-ray","1.54178","CuKα","K-L~3~","0.1123","0.0858","","","0.2019","0.2218","","","","","","1.013","","","","has coordinates,has disorder","272113","2022-01-18","23:35:58",""
"7244254","7.166","0.0003","21.8984","0.0007","13.6849","0.0004","90","","97.476","0.003","90","","2129.23","0.13","297","","297","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H14 F4 N2 -","- C27 H14 F4 N2 -","- C108 H56 F16 N8 -","4","1","","Yamada, Shigeyuki; Kobayashi, Kazuki; Morita, Masato; Konno, Tsutomu","D–π–A-type fluorinated tolanes with a diphenylamino group: crystal polymorphism formation and photophysical behavior","CrystEngComm","2022","","","","","10.1039/D1CE01671G","","x-ray","0.71073","MoKα","","0.0518","0.0376","","","0.1007","0.1076","","","","","","1.084","","","","has coordinates","272141","2022-01-19","23:33:26",""
"7244255","9.8311","0.0003","10.2683","0.0003","22.2426","0.0005","95.086","0.002","100.768","0.002","95.042","0.002","2184.59","0.11","297","","297","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H14 F4 N2 -","- C27 H14 F4 N2 -","- C108 H56 F16 N8 -","4","2","","Yamada, Shigeyuki; Kobayashi, Kazuki; Morita, Masato; Konno, Tsutomu","D–π–A-type fluorinated tolanes with a diphenylamino group: crystal polymorphism formation and photophysical behavior","CrystEngComm","2022","","","","","10.1039/D1CE01671G","","x-ray","0.71073","MoKα","","0.0714","0.0459","","","0.1229","0.1363","","","","","","1.063","","","","has coordinates","272141","2022-01-19","23:33:27",""
"7244256","7.6818","0.0004","9.1974","0.0003","15.4502","0.0005","76.568","0.003","78.786","0.004","73.558","0.004","1008.58","0.07","297","","297","","","","","","","","","3","P -1","-P 1","2","","","","- C27 H18 N2 -","- C27 H18 N2 -","- C54 H36 N4 -","2","1","","Yamada, Shigeyuki; Kobayashi, Kazuki; Morita, Masato; Konno, Tsutomu","D–π–A-type fluorinated tolanes with a diphenylamino group: crystal polymorphism formation and photophysical behavior","CrystEngComm","2022","","","","","10.1039/D1CE01671G","","x-ray","0.71073","MoKα","","0.0572","0.0409","","","0.1105","0.1201","","","","","","1.089","","","","has coordinates","272141","2022-01-19","23:33:27",""
"7244257","7.1397","0.0003","16.0756","0.0006","8.9196","0.0003","90","","104.983","0.001","90","","988.94","0.06","110","","110","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Pyrene-Tetrachloroterephthalonitrile Cocrystal","","- C12 H5 Cl2 N -","- C12 H5 Cl2 N -","- C48 H20 Cl8 N4 -","4","1","","Yu, Xu; Tang, Baolei; Zhang, Hongyu","A controllable and defectless cutting postprocess method via cleavage of an elastic cocrystal based on pyrene and tetrachloroterephthalonitrile","CrystEngComm","2022","24","5","942","946","10.1039/D1CE01438B","","","0.71073","MoKα","","0.0744","0.0478","","","0.0847","0.0967","","","","","","1.135","","","","has coordinates","272613","2022-02-04","19:20:08",""
"7244258","7.1268","0.0011","8.6732","0.0014","15.297","0.002","90","","102.303","0.006","90","","923.8","0.2","98","","98","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","cocrystal","","- C12 H5 F2 N -","- C12 H5 F2 N -","- C48 H20 F8 N4 -","4","1","","Yu, Xu; Tang, Baolei; Zhang, Hongyu","A controllable and defectless cutting postprocess method via cleavage of an elastic cocrystal based on pyrene and tetrachloroterephthalonitrile","CrystEngComm","2022","24","5","942","946","10.1039/D1CE01438B","","","0.71073","MoKα","","0.068","0.0444","","","0.1066","0.1325","","","","","","1.088","","","","has coordinates","272613","2022-02-04","19:20:08",""
"7244259","11.7324","0.0002","20.7132","0.0003","23.3587","0.0004","90","","95.466","0.002","90","","5650.72","0.16","100","2","100.15","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C64 H62 Cu2 N8 O3 P2 -","- C64 H62 Cu2 N8 O3 P2 -","- C256 H248 Cu8 N32 O12 P8 -","4","1","","Sun, Zhen-Zhou; Zhu, Ning; Pan, Xun; Hu, Fu-Zhen; Wang, Guo; Yang, Yu-Ping; Qiu, Qi-Ming; Li, Zhong-Feng; Xin, Xiu-Lan; Liu, Jian-Ming; Li, Xiao-Qi; Jin, Qiong-Hua; Ren, Zhi-Gang; Zhou, Qing-Li","Designing luminescent diimine-Cu(i)–phosphine complexes by tuning N-ligand and counteranions: correlation of weak interactions, luminescence and THz absorption spectra","CrystEngComm","2022","","","","","10.1039/D1CE01574E","","","1.54178","CuKα","","0.0832","0.0827","","","0.2124","0.2129","","","","","","1.059","","","","has coordinates","272169","2022-01-20","23:39:18",""
"7244260","12.647","0.003","17.053","0.003","17.208","0.003","90","","131.69","0.03","90","","2771.4","1.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C59 H52 Cu2 I2 N6 P2 -","- C59 H48 Cu2 I2 N6 P2 -","- C118 H96 Cu4 I4 N12 P4 -","2","0.5","","Sun, Zhen-Zhou; Zhu, Ning; Pan, Xun; Hu, Fu-Zhen; Wang, Guo; Yang, Yu-Ping; Qiu, Qi-Ming; Li, Zhong-Feng; Xin, Xiu-Lan; Liu, Jian-Ming; Li, Xiao-Qi; Jin, Qiong-Hua; Ren, Zhi-Gang; Zhou, Qing-Li","Designing luminescent diimine-Cu(i)–phosphine complexes by tuning N-ligand and counteranions: correlation of weak interactions, luminescence and THz absorption spectra","CrystEngComm","2022","","","","","10.1039/D1CE01574E","","","0.71073","MoKα","","0.0802","0.0788","","","0.2015","0.2023","","","","","","1.153","","","","has coordinates","272169","2022-01-20","23:39:19",""
"7244261","11.5699","0.0005","12.5429","0.0003","13.6715","0.0004","88.298","0.002","73.809","0.003","87.479","0.003","1903.16","0.11","106.7","","106.7","","","","","","","","","7","P -1","-P 1","2","","","","- C43 H36 B Cu F4 N4 P2 -","- C43 H36 B Cu F4 N4 P2 -","- C86 H72 B2 Cu2 F8 N8 P4 -","2","1","","Sun, Zhen-Zhou; Zhu, Ning; Pan, Xun; Hu, Fu-Zhen; Wang, Guo; Yang, Yu-Ping; Qiu, Qi-Ming; Li, Zhong-Feng; Xin, Xiu-Lan; Liu, Jian-Ming; Li, Xiao-Qi; Jin, Qiong-Hua; Ren, Zhi-Gang; Zhou, Qing-Li","Designing luminescent diimine-Cu(i)–phosphine complexes by tuning N-ligand and counteranions: correlation of weak interactions, luminescence and THz absorption spectra","CrystEngComm","2022","","","","","10.1039/D1CE01574E","","","0.71073","MoKα","","0.0339","0.029","","","0.0669","0.0698","","","","","","1.038","","","","has coordinates,has disorder","272169","2022-01-20","23:39:19",""
"7244262","11.74","0.0011","12.5965","0.0013","13.7194","0.0014","88.186","0.002","73.757","0.001","87.479","0.002","1945.6","0.3","298","2","298.15","","","","","","","","","7","P -1","-P 1","2","","","","- C43 H36 Cl Cu N4 O4.01 P2 -","- C43 H36 Cl Cu N4 O4 P2 -","- C86 H72 Cl2 Cu2 N8 O8 P4 -","2","1","","Sun, Zhen-Zhou; Zhu, Ning; Pan, Xun; Hu, Fu-Zhen; Wang, Guo; Yang, Yu-Ping; Qiu, Qi-Ming; Li, Zhong-Feng; Xin, Xiu-Lan; Liu, Jian-Ming; Li, Xiao-Qi; Jin, Qiong-Hua; Ren, Zhi-Gang; Zhou, Qing-Li","Designing luminescent diimine-Cu(i)–phosphine complexes by tuning N-ligand and counteranions: correlation of weak interactions, luminescence and THz absorption spectra","CrystEngComm","2022","","","","","10.1039/D1CE01574E","","","0.71073","MoKα","","0.087","0.0632","","","0.1504","0.1597","","","","","","1.051","","","","has coordinates","272169","2022-01-20","23:39:19",""
"7244263","24.6439","0.0003","10.20305","0.00013","31.8756","0.0004","90","","98.5114","0.0011","90","","7926.62","0.17","99.97","0.1","99.97","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C45 H40 Cl Cu N4 O4 P2 -","- C45 H40 Cl Cu N4 O4 P2 -","- C360 H320 Cl8 Cu8 N32 O32 P16 -","8","1","","Sun, Zhen-Zhou; Zhu, Ning; Pan, Xun; Hu, Fu-Zhen; Wang, Guo; Yang, Yu-Ping; Qiu, Qi-Ming; Li, Zhong-Feng; Xin, Xiu-Lan; Liu, Jian-Ming; Li, Xiao-Qi; Jin, Qiong-Hua; Ren, Zhi-Gang; Zhou, Qing-Li","Designing luminescent diimine-Cu(i)–phosphine complexes by tuning N-ligand and counteranions: correlation of weak interactions, luminescence and THz absorption spectra","CrystEngComm","2022","","","","","10.1039/D1CE01574E","","x-ray","1.54184","CuKα","","0.0407","0.0389","","","0.0947","0.0958","","","","","","1.024","","","","has coordinates","272169","2022-01-20","23:39:19",""
"7244264","24.62","0.0002","10.2078","0.00009","31.7453","0.0003","90","","98.052","0.0009","90","","7899.45","0.12","99.99","0.1","99.99","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C45 H40 B Cu F4 N4 P2 -","- C45 H40 B Cu F4 N4 P2 -","- C360 H320 B8 Cu8 F32 N32 P16 -","8","1","","Sun, Zhen-Zhou; Zhu, Ning; Pan, Xun; Hu, Fu-Zhen; Wang, Guo; Yang, Yu-Ping; Qiu, Qi-Ming; Li, Zhong-Feng; Xin, Xiu-Lan; Liu, Jian-Ming; Li, Xiao-Qi; Jin, Qiong-Hua; Ren, Zhi-Gang; Zhou, Qing-Li","Designing luminescent diimine-Cu(i)–phosphine complexes by tuning N-ligand and counteranions: correlation of weak interactions, luminescence and THz absorption spectra","CrystEngComm","2022","","","","","10.1039/D1CE01574E","","x-ray","1.54184","CuKα","","0.044","0.0432","","","0.1082","0.1088","","","","","","1.058","","","","has coordinates","272169","2022-01-20","23:39:20",""
"7244275","9.2809","0.0009","25.774","0.003","17.6172","0.0018","90","","92.261","0.001","90","","4210.9","0.8","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H48 Cl9 N3 Sb2 -","- C30 H48 Cl9 N3 Sb2 -","- C120 H192 Cl36 N12 Sb8 -","4","1","","Wang, Yan-Ning; Tong, Liang; Min-Wan,; Liu, Jing-Yuan; Ye, Si-Yu; Mensah, Abraham; Li, Jun-Yi; Chen, Li-Zhuang","Band gap modulation of organic–inorganic Sb(iii) halide by molecular design","CrystEngComm","2022","","","","","10.1039/D1CE01615F","","x-ray","0.71073","MoKα","","0.0576","0.0485","","","0.1448","0.1524","","","","","","1.065","","","","has coordinates","272214","2022-01-24","23:34:41",""
"7244276","9.275","0.002","13.826","0.003","18.274","0.004","83.423","0.005","89.796","0.006","76.621","0.005","2264.1","0.9","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H45 Cl9 F3 N3 Sb2 -","- C30 H45 Cl9 F3 N3 Sb2 -","- C60 H90 Cl18 F6 N6 Sb4 -","2","1","","Wang, Yan-Ning; Tong, Liang; Min-Wan,; Liu, Jing-Yuan; Ye, Si-Yu; Mensah, Abraham; Li, Jun-Yi; Chen, Li-Zhuang","Band gap modulation of organic–inorganic Sb(iii) halide by molecular design","CrystEngComm","2022","","","","","10.1039/D1CE01615F","","","0.71073","MoKα","","0.1152","0.0898","","","0.2772","0.3029","","","","","","1.058","","","","has coordinates","272214","2022-01-24","23:34:51",""
"7244277","9.1074","0.001","14.2404","0.0016","18.54","0.002","84.512","0.009","89.419","0.009","77.186","0.008","2333.7","0.5","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H45 Cl12 N3 Sb2 -","- C30 H45 Cl12 N3 Sb2 -","- C60 H90 Cl24 N6 Sb4 -","2","1","","Wang, Yan-Ning; Tong, Liang; Min-Wan,; Liu, Jing-Yuan; Ye, Si-Yu; Mensah, Abraham; Li, Jun-Yi; Chen, Li-Zhuang","Band gap modulation of organic–inorganic Sb(iii) halide by molecular design","CrystEngComm","2022","","","","","10.1039/D1CE01615F","","","0.71073","MoKα","","0.1601","0.0995","","","0.2704","0.3082","","","","","","1.039","","","","has coordinates","272214","2022-01-24","23:34:51",""
"7244278","9.3055","0.0003","14.9937","0.0006","18.0441","0.0007","84.989","0.003","86.538","0.003","74.258","0.002","2412.13","0.16","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H45 Br3 Cl9 N3 Sb2 -","- C30 H45 Br3 Cl9 N3 Sb2 -","- C60 H90 Br6 Cl18 N6 Sb4 -","2","1","","Wang, Yan-Ning; Tong, Liang; Min-Wan,; Liu, Jing-Yuan; Ye, Si-Yu; Mensah, Abraham; Li, Jun-Yi; Chen, Li-Zhuang","Band gap modulation of organic–inorganic Sb(iii) halide by molecular design","CrystEngComm","2022","","","","","10.1039/D1CE01615F","","","0.71073","MoKα","","0.1368","0.1008","","","0.3214","0.3504","","","","","","1.334","","","","has coordinates","272214","2022-01-24","23:34:52",""
"7244279","22.3041","0.0009","28.6028","0.0014","29.0127","0.0013","90","","90","","90","","18508.9","1.4","292.4","0.3","292.4","0.3","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C408 H248 Eu16 N52 O112 -","- C408 H248 Eu16 N52 O112 -","- C816 H496 Eu32 N104 O224 -","2","0.0625","","Sun, Yin-Xia; Guo, Geng; Ding, Wen-Min; Han, Wen-Yu; Li, Juan; Deng, Zhe-Peng","A highly stable Eu-MOF multifunctional luminescent sensor for the effective detection of Fe3+, Cr2O72−/CrO42− and aspartic acid in aqueous systems","CrystEngComm","2022","24","7","1358","1367","10.1039/D1CE01432C","","x-ray","1.54184","CuKα","","0.0478","0.0401","","","0.09","0.0946","","","","","","1.051","","","","has coordinates","273359","2022-03-04","22:09:53",""
"7244280","4.8141","0.0005","27.892","0.002","8.7246","0.0008","90","","104.63","0.003","90","","1133.51","0.18","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-bromo-resorcylic acid acetone solvate","","- C10 H11 Br O5 -","- C10 H11 Br O5 -","- C40 H44 Br4 O20 -","4","1","","Edkins, Katharina; Tweedy, Jane; Fung, Stephanie; Edkins, Robert M.","Steric influence on solvate formation – a comparison of resorcylic acid and two brominated derivatives","CrystEngComm","2022","","","","","10.1039/D1CE01592C","","x-ray","0.71073","MoKα","","0.0783","0.0469","","","0.0753","0.0821","","","","","","1.073","","","","has coordinates","272229","2022-01-25","23:38:00",""
"7244281","10.8995","0.0004","17.2454","0.0006","13.5191","0.0005","90","","111.328","0.005","90","","2367.1","0.17","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-bromo-resorcylic acid DMF solvate","","- C10 H12 Br N O5 -","- C10 H12 Br N O5 -","- C80 H96 Br8 N8 O40 -","8","2","","Edkins, Katharina; Tweedy, Jane; Fung, Stephanie; Edkins, Robert M.","Steric influence on solvate formation – a comparison of resorcylic acid and two brominated derivatives","CrystEngComm","2022","","","","","10.1039/D1CE01592C","","x-ray","0.71073","MoKα","","0.0675","0.0431","","","0.0763","0.086","","","","","","1.028","","","","has coordinates","272229","2022-01-25","23:38:01",""
"7244282","10.7541","0.001","5.1393","0.0005","18.7589","0.0019","90","","91.411","0.003","90","","1036.46","0.17","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-bromo-resorcylic acid ethanol solvate","","- C9 H11 Br O5 -","- C9 H11 Br O5 -","- C36 H44 Br4 O20 -","4","1","","Edkins, Katharina; Tweedy, Jane; Fung, Stephanie; Edkins, Robert M.","Steric influence on solvate formation – a comparison of resorcylic acid and two brominated derivatives","CrystEngComm","2022","","","","","10.1039/D1CE01592C","","x-ray","0.71073","MoKα","","0.0631","0.0372","","","0.0513","0.0561","","","","","","1.046","","","","has coordinates","272229","2022-01-25","23:38:01",""
"7244283","17.681","0.0012","3.8913","0.0003","18.1986","0.0014","90","","90","","90","","1252.1","0.16","120","","120","","","","","","","","","5","P n a 21","P 2c -2n","33","","3,5-dibromo-resorcylic acid DMF solvate","","- C10 H11 Br2 N O5 -","- C10 H11 Br2 N O5 -","- C40 H44 Br8 N4 O20 -","4","1","","Edkins, Katharina; Tweedy, Jane; Fung, Stephanie; Edkins, Robert M.","Steric influence on solvate formation – a comparison of resorcylic acid and two brominated derivatives","CrystEngComm","2022","","","","","10.1039/D1CE01592C","","x-ray","0.71073","MoKα","","0.0224","0.0212","","","0.0466","0.0468","","","","","","1.093","","","","has coordinates","272229","2022-01-25","23:38:01",""
"7244284","7.8467","0.0005","8.5738","0.0005","9.3115","0.0006","73.0626","0.0018","68.6204","0.0018","83.6321","0.0019","558.02","0.06","120","","120","","","","","","","","","5","P -1","-P 1","2","","5-bromo-resorcylic acid DMSO solvate","","- C9 H11 Br O5 S -","- C9 H11 Br O5 S -","- C18 H22 Br2 O10 S2 -","2","1","","Edkins, Katharina; Tweedy, Jane; Fung, Stephanie; Edkins, Robert M.","Steric influence on solvate formation – a comparison of resorcylic acid and two brominated derivatives","CrystEngComm","2022","","","","","10.1039/D1CE01592C","","x-ray","0.71073","MoKα","","0.0244","0.02","","","0.0498","0.052","","","","","","1.0743","","","","has coordinates","272229","2022-01-25","23:38:03",""
"7244285","4.275","0.0004","10.1068","0.0009","12.6263","0.0012","108.66","0.003","98.455","0.003","97.857","0.003","501.32","0.08","120","","120","","","","","","","","","4","P -1","-P 1","2","","5-bromo-resorcylic acid dioxane hemisolvate","","- C9 H9 Br O5 -","- C9 H9 Br O5 -","- C18 H18 Br2 O10 -","2","1","","Edkins, Katharina; Tweedy, Jane; Fung, Stephanie; Edkins, Robert M.","Steric influence on solvate formation – a comparison of resorcylic acid and two brominated derivatives","CrystEngComm","2022","","","","","10.1039/D1CE01592C","","x-ray","0.71073","MoKα","","0.0426","0.034","","","0.0776","0.0815","","","","","","1.0591","","","","has coordinates","272229","2022-01-25","23:38:05",""
"7244286","4.9186","0.0007","14.079","0.002","14.695","0.002","97.214","0.004","91.367","0.003","98.717","0.004","996.9","0.2","120","","120","","","","","","","","","4","P -1","-P 1","2","","5-bromo-resorcylic acid 2-butanone hemisolvate","","- C9 H9 Br O4.5 -","- C9 H9 Br O4.5 -","- C36 H36 Br4 O18 -","4","2","","Edkins, Katharina; Tweedy, Jane; Fung, Stephanie; Edkins, Robert M.","Steric influence on solvate formation – a comparison of resorcylic acid and two brominated derivatives","CrystEngComm","2022","","","","","10.1039/D1CE01592C","","x-ray","0.71073","MoKα","","0.1426","0.0627","","","0.074","0.0897","","","","","","1.0368","","","","has coordinates","272229","2022-01-25","23:38:06",""
"7244287","5.0921","0.0003","9.6935","0.0006","27.0491","0.0016","90","","91.041","0.002","90","","1334.93","0.14","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,5-dibromo-resorcylic acid dioxane solvate","","- C11 H12 Br2 O6 -","- C11 H12 Br2 O6 -","- C44 H48 Br8 O24 -","4","1","","Edkins, Katharina; Tweedy, Jane; Fung, Stephanie; Edkins, Robert M.","Steric influence on solvate formation – a comparison of resorcylic acid and two brominated derivatives","CrystEngComm","2022","","","","","10.1039/D1CE01592C","","x-ray","0.71073","MoKα","","0.0347","0.025","","","0.0443","0.0462","","","","","","1.082","","","","has coordinates","272229","2022-01-25","23:38:06",""
"7244288","4.8148","0.0004","15.5203","0.0012","15.6723","0.0012","90","","96.448","0.002","90","","1163.74","0.16","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-bromo-resorcylic acid THF solvate","","- C11 H13 Br O5 -","- C11 H13 Br O5 -","- C44 H52 Br4 O20 -","4","1","","Edkins, Katharina; Tweedy, Jane; Fung, Stephanie; Edkins, Robert M.","Steric influence on solvate formation – a comparison of resorcylic acid and two brominated derivatives","CrystEngComm","2022","","","","","10.1039/D1CE01592C","","x-ray","0.71073","MoKα","","0.0801","0.0526","","","0.1279","0.1442","","","","","","0.9714","","","","has coordinates,has disorder","272229","2022-01-25","23:38:06",""
"7244289","4.6177","0.0005","17.933","0.002","11.6033","0.0015","90","","99.898","0.004","90","","946.56","0.19","120","","120","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Resorcylic acid acetic acid solvate","","- C9 H10 O6 -","- C9 H10 O6 -","- C36 H40 O24 -","4","1","","Edkins, Katharina; Tweedy, Jane; Fung, Stephanie; Edkins, Robert M.","Steric influence on solvate formation – a comparison of resorcylic acid and two brominated derivatives","CrystEngComm","2022","","","","","10.1039/D1CE01592C","","x-ray","0.71073","MoKα","","0.0683","0.0417","","","0.0886","0.0979","","","","","","1.063","","","","has coordinates","272229","2022-01-25","23:38:06",""
"7244290","8.1238","0.0004","24.7317","0.0015","7.2459","0.0004","90","","93.5848","0.0019","90","","1452.96","0.14","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,5-dibromo-resorcylic acid pentanol solvate","","- C12 H16 Br2 O5 -","- C12 H16 Br2 O5 -","- C48 H64 Br8 O20 -","4","1","","Edkins, Katharina; Tweedy, Jane; Fung, Stephanie; Edkins, Robert M.","Steric influence on solvate formation – a comparison of resorcylic acid and two brominated derivatives","CrystEngComm","2022","","","","","10.1039/D1CE01592C","","x-ray","0.71073","MoKα","","0.0361","0.0291","","","0.0553","0.0568","","","","","","1.189","","","","has coordinates,has disorder","272229","2022-01-25","23:38:06",""
"7244291","4.8463","0.0003","14.8609","0.001","13.0678","0.0008","90","","95.0313","0.0019","90","","937.52","0.1","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-bromo-resorcylic acid methanol solvate","","- C8 H9 Br O5 -","- C8 H9 Br O5 -","- C32 H36 Br4 O20 -","4","1","","Edkins, Katharina; Tweedy, Jane; Fung, Stephanie; Edkins, Robert M.","Steric influence on solvate formation – a comparison of resorcylic acid and two brominated derivatives","CrystEngComm","2022","","","","","10.1039/D1CE01592C","","x-ray","0.71073","MoKα","","0.0434","0.0315","","","0.059","0.0625","","","","","","1.054","","","","has coordinates","272229","2022-01-25","23:38:06",""
"7244292","12.32","0.004","24.91","0.007","7.009","0.002","90","","96.322","0.007","90","","2137.9","1.1","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","resorcylic acid DMF solvate","","- C10 H13 N O5 -","- C10 H13 N O5 -","- C80 H104 N8 O40 -","8","2","","Edkins, Katharina; Tweedy, Jane; Fung, Stephanie; Edkins, Robert M.","Steric influence on solvate formation – a comparison of resorcylic acid and two brominated derivatives","CrystEngComm","2022","","","","","10.1039/D1CE01592C","","x-ray","0.71073","Synchrotron","","0.1352","0.0928","","","0.214","0.2537","","","","","","0.843","","","","has coordinates","272229","2022-01-25","23:38:06",""
"7244293","22.7597","0.0016","6.6011","0.0005","16.7307","0.0012","90","","90","","90","","2513.6","0.3","120","","120","","","","","","","","","4","P n m a","-P 2ac 2n","62","","5-bromo-resorcylic acid dioxane solvate","","- C11 H13 Br O6 -","- C11 H13 Br O6 -","- C88 H104 Br8 O48 -","8","1","","Edkins, Katharina; Tweedy, Jane; Fung, Stephanie; Edkins, Robert M.","Steric influence on solvate formation – a comparison of resorcylic acid and two brominated derivatives","CrystEngComm","2022","","","","","10.1039/D1CE01592C","","x-ray","0.71073","MoKα","","0.0693","0.0434","","","0.088","0.097","","","","","","1.083","","","","has coordinates","272229","2022-01-25","23:38:06",""
"7244294","4.9275","0.0003","16.6356","0.0009","15.8268","0.0008","90","","97.1838","0.0017","90","","1287.17","0.12","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,5-dibromo-resorcylic acid THF solvate","","- C11 H12 Br2 O5 -","- C11 H12 Br2 O5 -","- C44 H48 Br8 O20 -","4","1","","Edkins, Katharina; Tweedy, Jane; Fung, Stephanie; Edkins, Robert M.","Steric influence on solvate formation – a comparison of resorcylic acid and two brominated derivatives","CrystEngComm","2022","","","","","10.1039/D1CE01592C","","x-ray","0.71073","MoKα","","0.0277","0.0211","","","0.047","0.0491","","","","","","1.093","","","","has coordinates,has disorder","272229","2022-01-25","23:38:06",""
"7244295","13.2219","0.0017","6.4624","0.0008","11.2303","0.0014","90","","111.089","0.002","90","","895.3","0.2","120","","120","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","resorcylic acid dioxane hemisolvate","","- C9 H10 O5 -","- C9 H10 O5 -","- C36 H40 O20 -","4","1","","Edkins, Katharina; Tweedy, Jane; Fung, Stephanie; Edkins, Robert M.","Steric influence on solvate formation – a comparison of resorcylic acid and two brominated derivatives","CrystEngComm","2022","","","","","10.1039/D1CE01592C","","x-ray","0.71073","Synchrotron","","0.0873","0.0816","","","0.2186","0.2268","","","","","","1.04","","","","has coordinates","272229","2022-01-25","23:38:06",""
"7244296","17.2749","0.0009","3.9072","0.0002","35.441","0.002","90","","98.9201","0.0016","90","","2363.2","0.2","120","","120","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","3,5-dibromo-resorcylic acid acetic acid solvate","","- C9 H8 Br2 O6 -","- C9 H8 Br2 O6 -","- C72 H64 Br16 O48 -","8","1","","Edkins, Katharina; Tweedy, Jane; Fung, Stephanie; Edkins, Robert M.","Steric influence on solvate formation – a comparison of resorcylic acid and two brominated derivatives","CrystEngComm","2022","","","","","10.1039/D1CE01592C","","x-ray","0.71073","MoKα","","0.0642","0.0465","","","0.1078","0.1167","","","","","","1.087","","","","has coordinates","272229","2022-01-25","23:38:07",""
"7244299","4.9401","0.001","15.61","0.003","18.58","0.004","90","","95.47","0.03","90","","1426.3","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H4 F6 O8 Sc -","- C12 H4 F6 O8 Sc -","- C48 H16 F24 O32 Sc4 -","4","1","","Cheplakova, Anastasia M.; Samsonenko, Denis G.; Lazarenko, Vladimir; Dorovatovskii, Pavel; Zubavichus, Yan; Khrustalev, Victor N.; Rakhmanova, Marianna I.; Fedin, Vladimir P.","Synthesis, supramolecular isomerism, and photoluminescence of scandium(III) complexes with tetrafluoroterephthalate ligand","CrystEngComm","2022","","","","","10.1039/D1CE01689J","","","0.9626","synchrotron","","0.0843","0.055","","","0.1194","0.1331","","","","","","0.935","","","","has coordinates","272261","2022-01-26","23:42:53",""
"7244300","4.79757","0.00017","10.087","0.0004","18.1374","0.0007","80.387","0.003","84.542","0.003","88.51","0.003","861.43","0.06","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 F6 O11 Sc -","- C12 H10 F6 O11 Sc -","- C24 H20 F12 O22 Sc2 -","2","1","","Cheplakova, Anastasia M.; Samsonenko, Denis G.; Lazarenko, Vladimir; Dorovatovskii, Pavel; Zubavichus, Yan; Khrustalev, Victor N.; Rakhmanova, Marianna I.; Fedin, Vladimir P.","Synthesis, supramolecular isomerism, and photoluminescence of scandium(III) complexes with tetrafluoroterephthalate ligand","CrystEngComm","2022","","","","","10.1039/D1CE01689J","","x-ray","0.71073","MoKα","","0.0432","0.0335","","","0.0759","0.0797","","","","","","1.044","","","","has coordinates","272261","2022-01-26","23:42:54",""
"7244301","6.4029","0.0011","7.5702","0.0012","19.555","0.002","90","","90.416","0.012","90","","947.8","0.2","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H3 F4 O6 Sc -","- C8 H3 F4 O6 Sc -","- C32 H12 F16 O24 Sc4 -","4","1","","Cheplakova, Anastasia M.; Samsonenko, Denis G.; Lazarenko, Vladimir; Dorovatovskii, Pavel; Zubavichus, Yan; Khrustalev, Victor N.; Rakhmanova, Marianna I.; Fedin, Vladimir P.","Synthesis, supramolecular isomerism, and photoluminescence of scandium(III) complexes with tetrafluoroterephthalate ligand","CrystEngComm","2022","","","","","10.1039/D1CE01689J","","x-ray","0.71073","MoKα","","0.0965","0.083","","","0.2311","0.2582","","","","","","1.126","","","","has coordinates","272261","2022-01-26","23:42:54",""
"7244302","11.7838","0.0003","47.9476","0.0014","9.0077","0.0002","90","","90","","90","","5089.4","0.2","150","2","150","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C16 H17 Cs F8 O16.5 Sc -","- C16 Cs F8 O16.5 Sc -","- C128 Cs8 F64 O132 Sc8 -","8","1","","Cheplakova, Anastasia M.; Samsonenko, Denis G.; Lazarenko, Vladimir; Dorovatovskii, Pavel; Zubavichus, Yan; Khrustalev, Victor N.; Rakhmanova, Marianna I.; Fedin, Vladimir P.","Synthesis, supramolecular isomerism, and photoluminescence of scandium(III) complexes with tetrafluoroterephthalate ligand","CrystEngComm","2022","","","","","10.1039/D1CE01689J","","x-ray","0.71073","MoKα","","0.0675","0.0642","","","0.1696","0.1743","","","","","","1.065","","","","has coordinates,has disorder","272261","2022-01-26","23:42:54",""
"7244303","5.0987","0.001","15.675","0.003","20.124","0.004","67.45","0.03","86.97","0.03","89.01","0.03","1483.3","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H8 F12 O16 Sc2 -","- C24 H8 F12 O16 Sc2 -","- C48 H16 F24 O32 Sc4 -","2","1","","Cheplakova, Anastasia M.; Samsonenko, Denis G.; Lazarenko, Vladimir; Dorovatovskii, Pavel; Zubavichus, Yan; Khrustalev, Victor N.; Rakhmanova, Marianna I.; Fedin, Vladimir P.","Synthesis, supramolecular isomerism, and photoluminescence of scandium(III) complexes with tetrafluoroterephthalate ligand","CrystEngComm","2022","","","","","10.1039/D1CE01689J","","","0.9626","synchrotron","","0.1078","0.0822","","","0.1871","0.2188","","","","","","1.04","","","","has coordinates","272261","2022-01-26","23:42:54",""
"7244304","8.9823","0.0002","11.4355","0.0004","48.3424","0.0013","90","","90","","90","","4965.6","0.2","150","2","150","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C16 H18 F8 K O17 Sc -","- C16 H18 F8 K O17 Sc -","- C128 H144 F64 K8 O136 Sc8 -","8","0.25","","Cheplakova, Anastasia M.; Samsonenko, Denis G.; Lazarenko, Vladimir; Dorovatovskii, Pavel; Zubavichus, Yan; Khrustalev, Victor N.; Rakhmanova, Marianna I.; Fedin, Vladimir P.","Synthesis, supramolecular isomerism, and photoluminescence of scandium(III) complexes with tetrafluoroterephthalate ligand","CrystEngComm","2022","","","","","10.1039/D1CE01689J","","x-ray","0.71073","MoKα","","0.023","0.0221","","","0.0637","0.0642","","","","","","1.074","","","","has coordinates,has disorder","272261","2022-01-26","23:42:54",""
"7244305","11.5295","0.0004","9.0506","0.0003","24.8337","0.0008","90","","103.339","0.004","90","","2521.46","0.15","140","2","140","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 F8 N O17 Sc -","- C16 H22 F8 N O17 Sc -","- C64 H88 F32 N4 O68 Sc4 -","4","1","","Cheplakova, Anastasia M.; Samsonenko, Denis G.; Lazarenko, Vladimir; Dorovatovskii, Pavel; Zubavichus, Yan; Khrustalev, Victor N.; Rakhmanova, Marianna I.; Fedin, Vladimir P.","Synthesis, supramolecular isomerism, and photoluminescence of scandium(III) complexes with tetrafluoroterephthalate ligand","CrystEngComm","2022","","","","","10.1039/D1CE01689J","","x-ray","0.71073","MoKα","","0.0424","0.0308","","","0.0791","0.0837","","","","","","1.037","","","","has coordinates","272261","2022-01-26","23:42:55",""
"7244311","12.0722","0.0005","8.0184","0.0004","16.9466","0.0007","90","","108.408","0.0017","90","","1556.49","0.12","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C32 H22 N4 O10 U Zn -","- C32 H22 N4 O10 U Zn -","- C64 H44 N8 O20 U2 Zn2 -","2","0.5","","Harrowfield, Jack; Atoini, Youssef; Thuéry, Pierre","Plumbing the uncertainties of solvothermal synthesis involving uranyl ion carboxylate complexes","CrystEngComm","2022","","","","","10.1039/D1CE01663F","","","0.71073","MoKα","","0.0174","0.0163","","","0.0401","0.0406","","","","","","1.063","","","","has coordinates","272324","2022-01-28","23:31:21",""
"7244312","7.3392","0.0004","8.7663","0.0004","11.8187","0.0005","109.042","0.0016","92.0632","0.0019","108.711","0.0017","672.34","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H13 N O7 U -","- C11 H13 N O7 U -","- C22 H26 N2 O14 U2 -","2","1","","Harrowfield, Jack; Atoini, Youssef; Thuéry, Pierre","Plumbing the uncertainties of solvothermal synthesis involving uranyl ion carboxylate complexes","CrystEngComm","2022","","","","","10.1039/D1CE01663F","","","0.71073","MoKα","","0.0142","0.0135","","","0.0325","0.0328","","","","","","1.075","","","","has coordinates,has disorder","272324","2022-01-28","23:31:21",""
"7244313","30.9868","0.0018","13.0858","0.0007","16.4519","0.0009","90","","115.924","0.003","90","","5999.8","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43 H82 N2 O16 U2 -","- C43 H82 N2 O16 U2 -","- C172 H328 N8 O64 U8 -","4","0.5","","Harrowfield, Jack; Atoini, Youssef; Thuéry, Pierre","Plumbing the uncertainties of solvothermal synthesis involving uranyl ion carboxylate complexes","CrystEngComm","2022","","","","","10.1039/D1CE01663F","","","0.71073","MoKα","","0.0414","0.0304","","","0.076","0.0811","","","","","","1.074","","","","has coordinates","272324","2022-01-28","23:31:22",""
"7244314","16.4803","0.0005","8.2141","0.0002","24.4218","0.0007","90","","98.7372","0.0012","90","","3267.63","0.16","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H21 N O7 U -","- C13 H21 N O7 U -","- C104 H168 N8 O56 U8 -","8","1","","Harrowfield, Jack; Atoini, Youssef; Thuéry, Pierre","Plumbing the uncertainties of solvothermal synthesis involving uranyl ion carboxylate complexes","CrystEngComm","2022","","","","","10.1039/D1CE01663F","","","0.71073","MoKα","","0.0187","0.0181","","","0.0367","0.0369","","","","","","1.279","","","","has coordinates,has disorder","272324","2022-01-28","23:31:22",""
"7244318","15.006","0.0013","20.6811","0.0016","22.944","0.002","90","","99.494","0.004","90","","7022.9","1","292.52","","292.52","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C55 H90 N26 O32 -","- C55 H90 N26 O32 -","- C220 H360 N104 O128 -","4","0.5","","Li, Feize; Mei, Lei; Peng, Haiyue; Hu, Kongqiu; Chai, Zhifang; Liu, Ning","Impact of the proximity effect on uranyl coordination of conformationally variable weakly-bonded cucurbit[6]uril-bipyridinium pseudorotaxane","CrystEngComm","2022","24","10","1955","1965","10.1039/D1CE01330K","","","0.71073","MoKα","","0.0884","0.0556","","","0.1337","0.1561","","","","","","1.061","","","","has coordinates","274970","2022-05-05","20:29:39",""
"7244319","12.304","0.002","12.4966","0.0018","13.125","0.002","64.88","0.006","89.809","0.006","79.159","0.006","1787.9","0.5","292.28","","292.28","","","","","","","","","5","P -1","-P 1","2","","","","- C57 H60 N28 O34 U2 -","- C57 H60 N28 O34 U2 -","- C57 H60 N28 O34 U2 -","1","0.5","","Li, Feize; Mei, Lei; Peng, Haiyue; Hu, Kongqiu; Chai, Zhifang; Liu, Ning","Impact of the proximity effect on uranyl coordination of conformationally variable weakly-bonded cucurbit[6]uril-bipyridinium pseudorotaxane","CrystEngComm","2022","24","10","1955","1965","10.1039/D1CE01330K","","","0.71073","MoKα","","0.0544","0.043","","","0.0973","0.1041","","","","","","1.117","","","","has coordinates,has disorder","274970","2022-05-05","20:29:39",""
"7244320","12.4914","0.0007","13.5836","0.0007","13.6906","0.0006","105.65","0.002","95.32","0.002","113.732","0.002","1993.62","0.18","292.26","","292.26","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H69 N26 O40 S2 U2 -","- C54 H69 N26 O40 S2 U2 -","- C54 H69 N26 O40 S2 U2 -","1","0.5","","Li, Feize; Mei, Lei; Peng, Haiyue; Hu, Kongqiu; Chai, Zhifang; Liu, Ning","Impact of the proximity effect on uranyl coordination of conformationally variable weakly-bonded cucurbit[6]uril-bipyridinium pseudorotaxane","CrystEngComm","2022","24","10","1955","1965","10.1039/D1CE01330K","","","0.71073","MoKα","","0.0609","0.048","","","0.1267","0.1387","","","","","","1.059","","","","has coordinates","274970","2022-05-05","20:29:39",""
"7244321","23.0996","0.0013","18.4319","0.0011","33.9541","0.0019","90","","103.095","0.002","90","","14080.7","1.4","143.01","","143.01","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C440 H512 N208 O224 S8 U12 -","- C440 H512 N208 O224 S8 U12 -","- C440 H512 N208 O224 S8 U12 -","1","0.25","","Li, Feize; Mei, Lei; Peng, Haiyue; Hu, Kongqiu; Chai, Zhifang; Liu, Ning","Impact of the proximity effect on uranyl coordination of conformationally variable weakly-bonded cucurbit[6]uril-bipyridinium pseudorotaxane","CrystEngComm","2022","24","10","1955","1965","10.1039/D1CE01330K","","","1.54178","CuKα","","0.0488","0.0439","","","0.111","0.1159","","","","","","1.05","","","","has coordinates,has disorder","274970","2022-05-05","20:29:39",""
"7244322","23.1168","0.0013","24.6194","0.0015","24.9596","0.001","90","","90","","90","","14205.1","1.3","302","","302","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C110 H122 Cl N52 O51 S2 U3 -","- C110 H122 Cl N52 O51 S2 U3 -","- C440 H488 Cl4 N208 O204 S8 U12 -","4","1","","Li, Feize; Mei, Lei; Peng, Haiyue; Hu, Kongqiu; Chai, Zhifang; Liu, Ning","Impact of the proximity effect on uranyl coordination of conformationally variable weakly-bonded cucurbit[6]uril-bipyridinium pseudorotaxane","CrystEngComm","2022","24","10","1955","1965","10.1039/D1CE01330K","","","0.71073","MoKα","","0.1428","0.0881","","","0.2335","0.2746","","","","","","0.998","","","","has coordinates","274970","2022-05-05","20:29:39",""
"7244323","18.3214","0.0007","17.8962","0.0007","22.4009","0.0009","90","","113.982","0.003","90","","6710.8","0.5","292.36","","292.36","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C55 H62 Br0.27 N27.74 O29.21 U2 -","- C55 H62 Br0.265 N27.735 O29.205 U2 -","- C220 H248 Br1.06 N110.94 O116.82 U8 -","4","1","","Li, Feize; Mei, Lei; Peng, Haiyue; Hu, Kongqiu; Chai, Zhifang; Liu, Ning","Impact of the proximity effect on uranyl coordination of conformationally variable weakly-bonded cucurbit[6]uril-bipyridinium pseudorotaxane","CrystEngComm","2022","24","10","1955","1965","10.1039/D1CE01330K","","","0.71073","MoKα","","0.0395","0.027","","","0.0578","0.0626","","","","","","1.0459","","","","has coordinates,has disorder","274970","2022-05-05","20:29:39",""
"7244324","9.0932","0.0018","9.1069","0.0017","9.8502","0.0019","90","","108.847","0.004","90","","772","0.3","220","","220","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Ag4 H6 N22 -","- Ag4 H6 N22 -","- Ag8 H12 N44 -","2","0.5","","Zhang, Xiaopeng; Hou, Tianyang; Lin, Qiuhan; Wang, Pengcheng; Li, Dongxue; Xu, Yuangang; Lu, Ming","Fascinating 3D energetic [Ag2(N5)2(EDA)]n: filling the ethylenediamine molecules into [Ag(N5)]n framework","CrystEngComm","2022","","","","","10.1039/D2CE00086E","","","0.71073","MoKα","","0.11","0.0415","","","0.0654","0.084","","","","","","0.971","","","","has coordinates","272360","2022-01-31","23:37:58",""
"7244349","22.4223","0.0012","7.1139","0.0004","25.519","0.0014","90","","101.57","0.002","90","","3987.8","0.4","120","","120","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H34 Br2 N4 O4 Zn -","- C48 H34 Br2 N4 O4 Zn -","- C192 H136 Br8 N16 O16 Zn4 -","4","0.5","","Mei, Houshan; Xie, Jiayue; Li, Zishuo; Lou, Chengming; Lei, Guanglu; Liu, Xianghong; Zhang, Jun","Rational design of ZnO@ZIF-8 nanoarrays for improved electrochemical detection of H2O2","CrystEngComm","2022","","","","","10.1039/D1CE01704G","","","1.34138","GaKα","","0.0456","0.0396","","","0.1117","0.1166","","","","","","1.045","","","","has coordinates","272810","2022-02-05","23:30:20",""
"7244350","22.545","0.002","7.1602","0.0008","24.832","0.002","90","","102.401","0.003","90","","3915","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H34 F2 N4 O4 Zn -","- C48 H34 F2 N4 O4 Zn -","- C192 H136 F8 N16 O16 Zn4 -","4","0.5","","Mei, Houshan; Xie, Jiayue; Li, Zishuo; Lou, Chengming; Lei, Guanglu; Liu, Xianghong; Zhang, Jun","Rational design of ZnO@ZIF-8 nanoarrays for improved electrochemical detection of H2O2","CrystEngComm","2022","","","","","10.1039/D1CE01704G","","","0.71073","MoKα","","0.104","0.0559","","","0.1114","0.1279","","","","","","1.043","","","","has coordinates","272810","2022-02-05","23:30:30",""
"7244351","16.9814","0.0009","5.7781","0.0003","20.4176","0.0008","90","","118.519","0.003","90","","1760.29","0.16","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C42 H28 N5 O6 Zn -","- C42 H28 N5 O6 Zn -","- C84 H56 N10 O12 Zn2 -","2","0.5","","Mei, Houshan; Xie, Jiayue; Li, Zishuo; Lou, Chengming; Lei, Guanglu; Liu, Xianghong; Zhang, Jun","Rational design of ZnO@ZIF-8 nanoarrays for improved electrochemical detection of H2O2","CrystEngComm","2022","","","","","10.1039/D1CE01704G","","","0.71073","MoKα","","0.1017","0.0739","","","0.1931","0.2118","","","","","","1.041","","","","has coordinates,has disorder","272810","2022-02-05","23:30:31",""
"7244352","22.4956","0.0019","7.1451","0.0006","25.4267","0.0019","90","","101.767","0.004","90","","4001","0.6","296.15","","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H34 Cl2 N4 O4 Zn -","- C48 H34 Cl2 N4 O4 Zn -","- C192 H136 Cl8 N16 O16 Zn4 -","4","0.5","","Mei, Houshan; Xie, Jiayue; Li, Zishuo; Lou, Chengming; Lei, Guanglu; Liu, Xianghong; Zhang, Jun","Rational design of ZnO@ZIF-8 nanoarrays for improved electrochemical detection of H2O2","CrystEngComm","2022","","","","","10.1039/D1CE01704G","","","0.71073","MoKα","","0.069","0.0448","","","0.1021","0.1119","","","","","","1.03","","","","has coordinates","272810","2022-02-05","23:30:34",""
"7244353","6.782","0.0013","9.3889","0.0017","17.885","0.003","94.958","0.013","96.022","0.013","92.421","0.013","1126.8","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C60 H32 N10 -","- C60 H32 N10 -","- C60 H32 N10 -","1","0.5","","Wang, Luan; Yao, Xu; Zou, Xiaoyan; Li, Jingfang; Sun, Wenbin; Li, Guangming","Salen-type mononuclear dysprosium complex displays significant performance of single-molecule magnet","CrystEngComm","2022","","","","","10.1039/D1CE01684A","","","0.71073","MoKα","","0.1601","0.0688","","","0.1811","0.2286","","","","","","1.025","","","","has coordinates,has disorder","272811","2022-02-05","23:31:58",""
"7244354","14.1375","0.0005","14.1375","0.0005","12.863","0.0005","90","","90","","90","","2570.91","0.16","100","2","100","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C28 H18 Cl4 N4 -","- C28 H18 Cl4 N4 -","- C112 H72 Cl16 N16 -","4","0.5","","Dwivedi, Bhavna; Kumar, Sunil; Das, Dinabandhu","Selective inclusion of p-xylene by bis-hydrazone compounds","CrystEngComm","2022","24","6","1161","1165","10.1039/D1CE01569A","","","0.71073","MoKα","","0.119","0.0467","","","0.0897","0.1087","","","","","","1.008","","","","has coordinates","272845","2022-02-07","23:38:40",""
"7244355","14.2289","0.0006","14.2289","0.0006","13.1662","0.0008","90","","90","","90","","2665.6","0.2","100","2","100","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C28 H18 Br4 N4 -","- C28 H18 Br4 N4 -","- C112 H72 Br16 N16 -","4","0.5","","Dwivedi, Bhavna; Kumar, Sunil; Das, Dinabandhu","Selective inclusion of p-xylene by bis-hydrazone compounds","CrystEngComm","2022","24","6","1161","1165","10.1039/D1CE01569A","","","0.71073","MoKα","","0.0584","0.0332","","","0.0781","0.0871","","","","","","1.012","","","","has coordinates","272845","2022-02-07","23:38:40",""
"7244356","22.6222","0.0016","5.514","0.0004","23.3117","0.0017","90","","90","","90","","2907.9","0.4","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C28 H18 I4 N4 -","- C28 H18 I4 N4 -","- C112 H72 I16 N16 -","4","1","","Dwivedi, Bhavna; Kumar, Sunil; Das, Dinabandhu","Selective inclusion of p-xylene by bis-hydrazone compounds","CrystEngComm","2022","24","6","1161","1165","10.1039/D1CE01569A","","","0.71073","MoKα","","0.0411","0.029","","","0.0495","0.0559","","","","","","1.091","","","","has coordinates","272845","2022-02-07","23:38:41",""
"7244357","5.9329","0.0003","23.0822","0.0012","30.2786","0.0016","90","","90","","90","","4146.5","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C44 H38 I4 N4 -","- C44 H38 I4 N4 -","- C176 H152 I16 N16 -","4","0.5","","Dwivedi, Bhavna; Kumar, Sunil; Das, Dinabandhu","Selective inclusion of p-xylene by bis-hydrazone compounds","CrystEngComm","2022","24","6","1161","1165","10.1039/D1CE01569A","","","0.71073","MoKα","","0.0406","0.0274","","","0.0509","0.0578","","","","","","1.126","","","","has coordinates","272845","2022-02-07","23:38:41",""
"7244358","5.8699","0.0002","22.6993","0.0009","29.706","0.0014","90","","90","","90","","3958.1","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C44 H38 Br4 N4 -","- C44 H38 Br4 N4 -","- C176 H152 Br16 N16 -","4","0.5","","Dwivedi, Bhavna; Kumar, Sunil; Das, Dinabandhu","Selective inclusion of p-xylene by bis-hydrazone compounds","CrystEngComm","2022","24","6","1161","1165","10.1039/D1CE01569A","","","0.71073","MoKα","","0.0943","0.0514","","","0.0783","0.0878","","","","","","1.046","","","","has coordinates","272845","2022-02-07","23:38:41",""
"7244359","15.4025","0.0009","5.8486","0.0003","22.1487","0.0013","90","","109.329","0.002","90","","1882.76","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H38 Cl4 N4 -","- C44 H38 Cl4 N4 -","- C88 H76 Cl8 N8 -","2","0.5","","Dwivedi, Bhavna; Kumar, Sunil; Das, Dinabandhu","Selective inclusion of p-xylene by bis-hydrazone compounds","CrystEngComm","2022","24","6","1161","1165","10.1039/D1CE01569A","","","0.71073","MoKα","","0.0812","0.0456","","","0.0854","0.0956","","","","","","1.05","","","","has coordinates","272845","2022-02-07","23:38:41",""
"7244360","19.9543","0.001","19.7136","0.0009","13.2726","0.0006","90","","90","","90","","5221.1","0.4","298","","298","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C4.33 H7.72 B0.64 N1.44 O24 Si11.37 -","- C4.326 H7.931 B0.64 N1.442 O24 Si11.36 -","- C34.608 H63.448 B5.12 N11.536 O192 Si90.88 -","8","1","","Ma, Yufang; Wang, Lei; Chen, Lei; Shen, Meikun; Yang, Xue; Wang, Tengteng; yuan, feixiang; Zhou, Yu; Wang, Jun; Zhu, Hongjun","Anchoring Boron Atom to the Specific Tetrahedral Sites of Borosilicate MFI by Imidazolium-based Molecules","CrystEngComm","2022","","","","","10.1039/D1CE01686E","powder diffraction","x-ray","0.6887","synchrotron","","","","","","","","","0.012","2.142","","","","","","","has coordinates","272846","2022-02-07","23:41:12",""
"7244361","20.0445","0.0002","19.9204","0.0002","13.3984","0.0001","90","","90","","90","","5349.91","0.09","298","","298","","","","","","","","","6","P n m a","-P 2ac 2n","62","TPA_MFI","","","- C7.08 H15.34 B0.09 N0.59 O24 Si11.71 -","- C7.08 H15.635 B0.0875 N0.59 O24 Si11.7138 -","- C56.64 H125.08 B0.7 N4.72 O192 Si93.7104 -","8","1","","Ma, Yufang; Wang, Lei; Chen, Lei; Shen, Meikun; Yang, Xue; Wang, Tengteng; yuan, feixiang; Zhou, Yu; Wang, Jun; Zhu, Hongjun","Anchoring Boron Atom to the Specific Tetrahedral Sites of Borosilicate MFI by Imidazolium-based Molecules","CrystEngComm","2022","","","","","10.1039/D1CE01686E","powder diffraction","x-ray","0.6887","synchrotron","","","","","","","","","0.039","3.512","","","","","","","has coordinates","272846","2022-02-07","23:41:13",""
"7244362","19.9997","0.001","19.7849","0.001","13.3278","0.0006","90","","90","","90","","5273.7","0.4","298","","298","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C4.91 H9.18 B0.59 N1.11 O24 Si11.44 -","- C5.064 H9.495 B0.59 N1.266 O24 Si11.41 -","- C40.512 H75.96 B4.72 N10.128 O192 Si91.28 -","8","1","","Ma, Yufang; Wang, Lei; Chen, Lei; Shen, Meikun; Yang, Xue; Wang, Tengteng; yuan, feixiang; Zhou, Yu; Wang, Jun; Zhu, Hongjun","Anchoring Boron Atom to the Specific Tetrahedral Sites of Borosilicate MFI by Imidazolium-based Molecules","CrystEngComm","2022","","","","","10.1039/D1CE01686E","powder diffraction","x-ray","0.6887","synchrotron","","","","","","","","","0.016","1.929","","","","","","","has coordinates","272846","2022-02-07","23:41:13",""
"7244363","19.9106","0.0011","19.6572","0.0011","13.2495","0.0007","90","","90","","90","","5185.7","0.5","298","","298","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C3.97 H7.5 B0.79 N1.67 O24 Si11.21 -","- C4.165 H7.497 B0.79 N1.666 O24 Si11.21 -","- C33.32 H59.976 B6.32 N13.328 O192 Si89.68 -","8","1","","Ma, Yufang; Wang, Lei; Chen, Lei; Shen, Meikun; Yang, Xue; Wang, Tengteng; yuan, feixiang; Zhou, Yu; Wang, Jun; Zhu, Hongjun","Anchoring Boron Atom to the Specific Tetrahedral Sites of Borosilicate MFI by Imidazolium-based Molecules","CrystEngComm","2022","","","","","10.1039/D1CE01686E","powder diffraction","x-ray","0.6887","synchrotron","","","","","","","","","0.562","1.494","","","","","","","has coordinates","272846","2022-02-07","23:41:13",""
"7244364","19.9892","0.0003","19.761","0.0003","13.3066","0.0003","90","","90","","90","","5256.19","0.16","298","","298","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C5.08 H10.56 B0.78 N1.37 O24 Si11.22 -","- C5.278 H10.558 B0.78 N1.564 O24 Si11.22 -","- C42.224 H84.464 B6.24 N12.512 O192 Si89.76 -","8","1","","Ma, Yufang; Wang, Lei; Chen, Lei; Shen, Meikun; Yang, Xue; Wang, Tengteng; yuan, feixiang; Zhou, Yu; Wang, Jun; Zhu, Hongjun","Anchoring Boron Atom to the Specific Tetrahedral Sites of Borosilicate MFI by Imidazolium-based Molecules","CrystEngComm","2022","","","","","10.1039/D1CE01686E","powder diffraction","x-ray","0.6887","synchrotron","","","","","","","","","0.019","2.186","","","","","","","has coordinates","272846","2022-02-07","23:41:13",""
"7244365","8.5208","0.0003","16.3781","0.0005","12.7517","0.0004","90","","104.438","0.003","90","","1723.36","0.1","93.15","","93.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 F4 N2 O6 Zn -","- C14 H14 F4 N2 O6 Zn -","- C56 H56 F16 N8 O24 Zn4 -","4","1","","Sakamoto, Hikaru; Ito, Akitaka; Ohtani, Masataka","Unusual ligand substitution of a metal-organic framework with distorted metal–ligand coordination","CrystEngComm","2022","","","","","10.1039/D2CE00060A","","x-ray","0.71073","MoKα","","0.033","0.0287","","","0.0719","0.0738","","","","","","1.054","","","","has coordinates","272847","2022-02-07","23:42:55",""
"7244366","5.2395","0.0003","10.1581","0.0005","16.8889","0.0011","90","","95.568","0.005","90","","894.64","0.09","93.15","","93.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 F4 N0.5 O8 Zn -","- C14 H18 F4 N2 O8 Zn -","- C28 H36 F8 N4 O16 Zn2 -","2","0.5","","Sakamoto, Hikaru; Ito, Akitaka; Ohtani, Masataka","Unusual ligand substitution of a metal-organic framework with distorted metal–ligand coordination","CrystEngComm","2022","","","","","10.1039/D2CE00060A","","x-ray","0.71073","MoKα","","0.0468","0.0359","","","0.0854","0.0899","","","","","","1.047","","","","has coordinates","272847","2022-02-07","23:42:58",""
"7244367","13.8857","0.0007","4.7775","0.0001","25.5982","0.0008","90","","100.241","0.004","90","","1671.1","0.11","93.15","","93.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H2.88 F5.12 O8 Zn2 -","- C16 H2.884 F5.116 O8 Zn2 -","- C64 H11.536 F20.464 O32 Zn8 -","4","1","","Sakamoto, Hikaru; Ito, Akitaka; Ohtani, Masataka","Unusual ligand substitution of a metal-organic framework with distorted metal–ligand coordination","CrystEngComm","2022","","","","","10.1039/D2CE00060A","","x-ray","0.71073","MoKα","","0.054","0.0453","","","0.1194","0.124","","","","","","1.101","","","","has coordinates,has disorder","272847","2022-02-07","23:42:58",""
"7244368","11.8442","0.0007","12.6156","0.0008","15.127","0.001","100.928","0.001","111.907","0.001","99.186","0.001","1992.1","0.2","273.15","","273.15","","","","","","","","","7","P -1","-P 1","2","","","","- C42 H36 Co2 N12 O48 Si W12 -","- C42 H36 Co2 N12 O48 Si W12 -","- C42 H36 Co2 N12 O48 Si W12 -","1","0.5","","Li, Lei; Zhang, Yue; Wang, Xiang; Xu, Na; Li, Xiao-Hui; Wang, Xiu-Li","Various amide derivatives induced Keggin-type SiW12O404−-based cobalt complexes: assembly, structure, electrochemical sensing and dye adsorption properties","CrystEngComm","2022","24","6","1195","1202","10.1039/D1CE01619A","","x-ray","0.71073","MoKα","K-L~3~","0.0983","0.0645","","","0.1658","0.1883","","","","","","1.027","","","","has coordinates","272848","2022-02-07","23:43:51",""
"7244369","11.4528","0.0017","11.5586","0.0016","14.2713","0.0019","77.001","0.003","89.888","0.003","78.24","0.003","1800.3","0.4","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C32 H34 Co2 N12 O46 Si W12 -","- C32 H34 Co2 N12 O46 Si W12 -","- C32 H34 Co2 N12 O46 Si W12 -","1","0.5","","Li, Lei; Zhang, Yue; Wang, Xiang; Xu, Na; Li, Xiao-Hui; Wang, Xiu-Li","Various amide derivatives induced Keggin-type SiW12O404−-based cobalt complexes: assembly, structure, electrochemical sensing and dye adsorption properties","CrystEngComm","2022","24","6","1195","1202","10.1039/D1CE01619A","","x-ray","0.71073","MoKα","K-L~3~","0.0881","0.0496","","","0.0952","0.1091","","","","","","0.95","","","","has coordinates","272848","2022-02-07","23:43:52",""
"7244370","12.4696","0.0014","13.3599","0.0014","20.487","0.002","86.843","0.002","73.656","0.002","85.335","0.002","3262.4","0.6","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C26 H26 Co N8 O44 Si W12 -","- C26 H26 Co N8 O44 Si W12 -","- C52 H52 Co2 N16 O88 Si2 W24 -","2","1","","Li, Lei; Zhang, Yue; Wang, Xiang; Xu, Na; Li, Xiao-Hui; Wang, Xiu-Li","Various amide derivatives induced Keggin-type SiW12O404−-based cobalt complexes: assembly, structure, electrochemical sensing and dye adsorption properties","CrystEngComm","2022","24","6","1195","1202","10.1039/D1CE01619A","","","0.71073","MoKα","","0.0714","0.0413","","","0.0797","0.0882","","","","","","0.969","","","","has coordinates","272848","2022-02-07","23:43:52",""
"7244373","15.8603","0.0015","3.7729","0.0004","22.243","0.002","90","","102.306","0.01","90","","1300.4","0.2","149.4","0.4","149.4","0.4","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","[4]heliceneCOOH","","- C19 H12 O2 -","- C19 H12 O2 -","- C76 H48 O8 -","4","1","","zigon, nicolas; Avarvari, Narcis","[4]Helicene based anions in electrocrystallization with tetrachalcogenafulvalene donors","CrystEngComm","2022","","","","","10.1039/D2CE00091A","","x-ray","1.54184","CuKα","","0.1104","0.0976","","","0.2849","0.2961","","","","","","1.104","","","","has coordinates","288248","2023-12-12","12:55:28",""
"7244374","12.7324","0.0014","12.7345","0.0013","16.3097","0.0011","81.224","0.007","78.147","0.007","64.043","0.01","2321.1","0.4","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","exp_1587","","- C38 H27.62 Cl2.01 O4.31 S18 -","- C38 H27.624 Cl2.01 O4.317 S18.005 -","- C76 H55.248 Cl4.02 O8.634 S36.01 -","2","1","","zigon, nicolas; Avarvari, Narcis","[4]Helicene based anions in electrocrystallization with tetrachalcogenafulvalene donors","CrystEngComm","2022","","","","","10.1039/D2CE00091A","","x-ray","1.54184","CuKα","","0.107","0.0861","","","0.2312","0.2488","","","","","","1.056","","","","has coordinates,has disorder","272893","2022-02-09","23:42:47",""
"7244375","12.5199","0.0009","21.0758","0.0015","19.3165","0.001","90","","102.089","0.006","90","","4984","0.6","150.01","0.1","150.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","([4]heliceneSO3)2(TMTTF)2","","- C56 H46 O6 S10 -","- C56 H46 O6 S10 -","- C224 H184 O24 S40 -","4","1","","zigon, nicolas; Avarvari, Narcis","[4]Helicene based anions in electrocrystallization with tetrachalcogenafulvalene donors","CrystEngComm","2022","","","","","10.1039/D2CE00091A","","x-ray","1.54184","CuKα","","0.1446","0.0952","","","0.2419","0.2851","","","","","","1.066","","","","has coordinates","272893","2022-02-09","23:42:48",""
"7244376","14.0945","0.0002","12.8981","0.0002","20.6753","0.0003","90","","90","","90","","3758.61","0.1","150","0.1","150","0.1","","","","","","","","4","P b c n","-P 2n 2ab","60","","TMTTF-([4]heliceneCOO)2","","- C48 H34 O4 S4 -","- C48 H34 O4 S4 -","- C192 H136 O16 S16 -","4","0.5","","zigon, nicolas; Avarvari, Narcis","[4]Helicene based anions in electrocrystallization with tetrachalcogenafulvalene donors","CrystEngComm","2022","","","","","10.1039/D2CE00091A","","x-ray","1.54184","CuKα","","0.0452","0.0424","","","0.1186","0.1217","","","","","","1.056","","","","has coordinates","272893","2022-02-09","23:42:48",""
"7244377","11.9706","0.0005","17.1872","0.0007","35.0341","0.0007","85.381","0.002","82.114","0.003","76.022","0.004","6919.9","0.4","150.01","0.1","150.01","0.1","","","","","","","","6","P -1","-P 1","2","","(TMTSeF)5([4]heliceneSO3)5","","- C145 H124.04 N2.5 O18.26 S5.71 Se20 -","- C145 H124.041 N2.5 O18.2626 S5.712 Se20 -","- C290 H248.082 N5 O36.5252 S11.424 Se40 -","2","1","","zigon, nicolas; Avarvari, Narcis","[4]Helicene based anions in electrocrystallization with tetrachalcogenafulvalene donors","CrystEngComm","2022","","","","","10.1039/D2CE00091A","","x-ray","1.54184","CuKα","","0.0767","0.0634","","","0.1661","0.1782","","","","","","1.067","","","","has coordinates,has disorder","272893","2022-02-09","23:42:48",""
"7244394","7.2811","0.0008","8.34","0.0009","9.858","0.0011","68.729","0.005","68.636","0.005","70.01","0.005","504.11","0.1","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H28 Cd Cu O18 -","- C8 H28 Cd Cu O18 -","- C8 H28 Cd Cu O18 -","1","0.5","","Li, Zhongyi; Zhang, Ran; Zhu, Peng-Yu; Zhang, Chi; Wu, Dongqing; Zhai, Bin","Structures and magnetic properties of two heterometallic Cu(II)-Cd(II) polymers exhibiting antiferromagnetic ordering","CrystEngComm","2022","","","","","10.1039/D2CE00034B","","","0.71073","MoKα","","0.0587","0.0458","","","0.0968","0.1037","","","","","","1.045","","","","has coordinates,has disorder","272937","2022-02-11","23:35:54",""
"7244395","19.073","0.0013","9.8051","0.0006","12.6998","0.0008","90","","94.61","0.002","90","","2367.3","0.3","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 Cd Cu2 N2 O14 -","- C20 H20 Cd Cu2 N2 O14 -","- C80 H80 Cd4 Cu8 N8 O56 -","4","0.5","","Li, Zhongyi; Zhang, Ran; Zhu, Peng-Yu; Zhang, Chi; Wu, Dongqing; Zhai, Bin","Structures and magnetic properties of two heterometallic Cu(II)-Cd(II) polymers exhibiting antiferromagnetic ordering","CrystEngComm","2022","","","","","10.1039/D2CE00034B","","","0.71073","MoKα","","0.0358","0.0289","","","0.0723","0.0775","","","","","","1.053","","","","has coordinates","272937","2022-02-11","23:35:54",""
"7244396","10.1975","0.0003","10.1011","0.0003","11.0443","0.0003","90","","98.516","0.001","90","","1125.09","0.06","294","2","294","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C27 H18 N6 O4 Zn -","- C27 H18 N6 O4 Zn -","- C54 H36 N12 O8 Zn2 -","2","0.5","","Yao, Shu-Li; Xu, Hui; Zheng, Teng-Fei; Peng, Yan; Liu, Sui-Jun; Chen, Jing-Lin; Wen, He-Rui","Stable bifunctional ZnII-based sensor toward acetylacetone and l-histidine via a fluorescence red shift and turn-on effect","CrystEngComm","2022","","","","","10.1039/D2CE00026A","","","0.71073","MoKα","","0.0316","0.0262","","","0.0741","0.0789","","","","","","1.056","","","","has coordinates,has disorder","272938","2022-02-11","23:36:18",""
"7244397","13.0905","0.0003","7.4207","0.0002","25.4832","0.0006","90","","99.499","0.001","90","","2441.51","0.1","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Cl-Cl6BsubPc","","- C24 H6 B Cl7 N6 -","- C24 H6 B Cl7 N6 -","- C96 H24 B4 Cl28 N24 -","4","1","","Wojtkiewicz, Kacper; Lough, Alan; Bender, Timothy P.","Analysis of the solvent effects on the crystal growth of peripherally chlorinated boron subphthalocyanines","CrystEngComm","2022","24","15","2791","2807","10.1039/D1CE01320C","","","0.71073","MoKα","","0.0405","0.0291","","","0.0664","0.0715","","","","","","1.022","","","","has coordinates","274972","2022-05-05","20:31:07",""
"7244398","13.134","0.0006","14.9016","0.0006","14.5799","0.0007","90","","96.515","0.003","90","","2835.1","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","PhO-Cl6BsubPc","","- C30 H11 B Cl6 N6 O -","- C30 H11 B Cl6 N6 O -","- C120 H44 B4 Cl24 N24 O4 -","4","1","","Wojtkiewicz, Kacper; Lough, Alan; Bender, Timothy P.","Analysis of the solvent effects on the crystal growth of peripherally chlorinated boron subphthalocyanines","CrystEngComm","2022","24","15","2791","2807","10.1039/D1CE01320C","","","1.54178","CuKα","","0.0806","0.055","","","0.1289","0.1437","","","","","","1.042","","","","has coordinates","274972","2022-05-05","20:31:07",""
"7244399","13.0807","0.0007","7.4178","0.0003","25.4738","0.0013","90","","99.502","0.002","90","","2437.8","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Cl-Cl6BsubPc","","- C24 H6 B Cl7 N6 -","- C24 H6 B Cl7 N6 -","- C96 H24 B4 Cl28 N24 -","4","1","","Wojtkiewicz, Kacper; Lough, Alan; Bender, Timothy P.","Analysis of the solvent effects on the crystal growth of peripherally chlorinated boron subphthalocyanines","CrystEngComm","2022","24","15","2791","2807","10.1039/D1CE01320C","","","0.71073","MoKα","","0.0323","0.0263","","","0.0654","0.069","","","","","","1.025","","","","has coordinates","274972","2022-05-05","20:31:07",""
"7244400","13.1387","0.001","14.9262","0.001","14.6051","0.0011","90","","96.62","0.002","90","","2845.1","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","PhO-Cl6BsubPc","","- C30 H11 B Cl6 N6 O -","- C30 H11 B Cl6 N6 O -","- C120 H44 B4 Cl24 N24 O4 -","4","1","","Wojtkiewicz, Kacper; Lough, Alan; Bender, Timothy P.","Analysis of the solvent effects on the crystal growth of peripherally chlorinated boron subphthalocyanines","CrystEngComm","2022","24","15","2791","2807","10.1039/D1CE01320C","","","0.71073","MoKα","","0.0934","0.0409","","","0.0811","0.1011","","","","","","1.009","","","","has coordinates","274972","2022-05-05","20:31:07",""
"7244401","13.0941","0.0008","7.422","0.0004","25.495","0.0017","90","","99.487","0.002","90","","2443.8","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Cl-Cl6BsubPc","","- C24 H6 B Cl7 N6 -","- C24 H6 B Cl7 N6 -","- C96 H24 B4 Cl28 N24 -","4","1","","Wojtkiewicz, Kacper; Lough, Alan; Bender, Timothy P.","Analysis of the solvent effects on the crystal growth of peripherally chlorinated boron subphthalocyanines","CrystEngComm","2022","24","15","2791","2807","10.1039/D1CE01320C","","","0.71073","MoKα","","0.0604","0.0341","","","0.0671","0.078","","","","","","1.037","","","","has coordinates","274972","2022-05-05","20:31:07",""
"7244402","13.118","0.003","14.899","0.002","14.576","0.003","90","","96.581","0.009","90","","2830","1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","PhO-Cl6BsubPc","","- C30 H11 B Cl6 N6 O -","- C30 H11 B Cl6 N6 O -","- C120 H44 B4 Cl24 N24 O4 -","4","1","","Wojtkiewicz, Kacper; Lough, Alan; Bender, Timothy P.","Analysis of the solvent effects on the crystal growth of peripherally chlorinated boron subphthalocyanines","CrystEngComm","2022","24","15","2791","2807","10.1039/D1CE01320C","","","0.71073","MoKα","","0.1968","0.0635","","","0.0834","0.12","","","","","","0.992","","","","has coordinates","274972","2022-05-05","20:31:07",""
"7244403","10.4119","0.0004","22.7476","0.0009","13.0866","0.0005","90","","98.274","0.001","90","","3067.2","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","NaphO-Cl6BsubPc","","- C34 H13 B Cl6 N6 O -","- C34 H13 B Cl6 N6 O -","- C136 H52 B4 Cl24 N24 O4 -","4","1","","Wojtkiewicz, Kacper; Lough, Alan; Bender, Timothy P.","Analysis of the solvent effects on the crystal growth of peripherally chlorinated boron subphthalocyanines","CrystEngComm","2022","24","15","2791","2807","10.1039/D1CE01320C","","","0.71073","MoKα","","0.0666","0.038","","","0.0809","0.0934","","","","","","1.039","","","","has coordinates","274972","2022-05-05","20:31:07",""
"7244404","13.0845","0.0008","7.4155","0.0004","25.4585","0.0016","90","","99.476","0.002","90","","2436.5","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Cl-Cl6BsubPc","","- C24 H6 B Cl7 N6 -","- C24 H6 B Cl7 N6 -","- C96 H24 B4 Cl28 N24 -","4","1","","Wojtkiewicz, Kacper; Lough, Alan; Bender, Timothy P.","Analysis of the solvent effects on the crystal growth of peripherally chlorinated boron subphthalocyanines","CrystEngComm","2022","24","15","2791","2807","10.1039/D1CE01320C","","","0.71073","MoKα","","0.0688","0.037","","","0.0707","0.0811","","","","","","1.007","","","","has coordinates","274972","2022-05-05","20:31:07",""
"7244405","15.8551","0.0003","15.1122","0.0003","23.9203","0.0005","90","","90","","90","","5731.4","0.2","150","2","150","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","IPhO-Cl6BsubPc","","- C30 H10 B Cl6 I N6 O -","- C30 H10 B Cl6 I N6 O -","- C240 H80 B8 Cl48 I8 N48 O8 -","8","2","","Wojtkiewicz, Kacper; Lough, Alan; Bender, Timothy P.","Analysis of the solvent effects on the crystal growth of peripherally chlorinated boron subphthalocyanines","CrystEngComm","2022","24","15","2791","2807","10.1039/D1CE01320C","","","0.71073","MoKα","","0.0289","0.0255","","","0.0652","0.0665","","","","","","1.025","","","","has coordinates","274972","2022-05-05","20:31:07",""
"7244406","10.4162","0.0002","22.7272","0.0005","13.1011","0.0003","90","","98.322","0.001","90","","3068.78","0.11","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","NaphO-Cl6BsubPc","","- C34 H13 B Cl6 N6 O -","- C34 H13 B Cl6 N6 O -","- C136 H52 B4 Cl24 N24 O4 -","4","1","","Wojtkiewicz, Kacper; Lough, Alan; Bender, Timothy P.","Analysis of the solvent effects on the crystal growth of peripherally chlorinated boron subphthalocyanines","CrystEngComm","2022","24","15","2791","2807","10.1039/D1CE01320C","","","0.71073","MoKα","","0.0615","0.037","","","0.0814","0.095","","","","","","1.033","","","","has coordinates","274972","2022-05-05","20:31:07",""
"7244407","15.8587","0.0003","15.1167","0.0003","23.9409","0.0005","90","","90","","90","","5739.4","0.2","150","2","150","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","IPhO-Cl6BsubPc","","- C30 H10 B Cl6 I N6 O -","- C30 H10 B Cl6 I N6 O -","- C240 H80 B8 Cl48 I8 N48 O8 -","8","2","","Wojtkiewicz, Kacper; Lough, Alan; Bender, Timothy P.","Analysis of the solvent effects on the crystal growth of peripherally chlorinated boron subphthalocyanines","CrystEngComm","2022","24","15","2791","2807","10.1039/D1CE01320C","","","0.71073","MoKα","","0.0366","0.0302","","","0.0751","0.0772","","","","","","1.032","","","","has coordinates","274972","2022-05-05","20:31:07",""
"7244408","10.4146","0.0007","22.7238","0.0013","13.0926","0.0009","90","","98.34","0.002","90","","3065.7","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","NaphO-Cl6BsubPc","","- C34 H13 B Cl6 N6 O -","- C34 H13 B Cl6 N6 O -","- C136 H52 B4 Cl24 N24 O4 -","4","1","","Wojtkiewicz, Kacper; Lough, Alan; Bender, Timothy P.","Analysis of the solvent effects on the crystal growth of peripherally chlorinated boron subphthalocyanines","CrystEngComm","2022","24","15","2791","2807","10.1039/D1CE01320C","","","0.71073","MoKα","","0.101","0.0431","","","0.0819","0.1028","","","","","","1.026","","","","has coordinates","274972","2022-05-05","20:31:07",""
"7244409","12.5724","0.0006","20.9451","0.001","14.521","0.0008","90","","115.589","0.002","90","","3448.8","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","PhO-Cl6BsubPc","","- C36.71 H23.76 B Cl6.3 N6 O -","- C36.705 H23.755 B Cl6.295 N6 O -","- C146.82 H95.02 B4 Cl25.18 N24 O4 -","4","1","","Wojtkiewicz, Kacper; Lough, Alan; Bender, Timothy P.","Analysis of the solvent effects on the crystal growth of peripherally chlorinated boron subphthalocyanines","CrystEngComm","2022","24","15","2791","2807","10.1039/D1CE01320C","","","0.71073","MoKα","","0.1119","0.0506","","","0.1209","0.1607","","","","","","1.068","","","","has coordinates,has disorder","274972","2022-05-05","20:31:07",""
"7244410","15.891","0.0005","15.1094","0.0005","23.9482","0.0007","90","","90","","90","","5750","0.3","150","2","150","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","IPhO-Cl6BsubPc","","- C30 H10 B Cl6 I N6 O -","- C30 H10 B Cl6 I N6 O -","- C240 H80 B8 Cl48 I8 N48 O8 -","8","2","","Wojtkiewicz, Kacper; Lough, Alan; Bender, Timothy P.","Analysis of the solvent effects on the crystal growth of peripherally chlorinated boron subphthalocyanines","CrystEngComm","2022","24","15","2791","2807","10.1039/D1CE01320C","","","0.71073","MoKα","","0.0329","0.0301","","","0.0787","0.0801","","","","","","1.044","","","","has coordinates","274972","2022-05-05","20:31:07",""
"7244411","10.4152","0.0003","22.7421","0.0007","13.1005","0.0004","90","","98.286","0.001","90","","3070.64","0.16","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","NaphO-Cl6BsubPc","","- C34 H13 B Cl6 N6 O -","- C34 H13 B Cl6 N6 O -","- C136 H52 B4 Cl24 N24 O4 -","4","1","","Wojtkiewicz, Kacper; Lough, Alan; Bender, Timothy P.","Analysis of the solvent effects on the crystal growth of peripherally chlorinated boron subphthalocyanines","CrystEngComm","2022","24","15","2791","2807","10.1039/D1CE01320C","","","0.71073","MoKα","","0.0504","0.0327","","","0.0745","0.0829","","","","","","1.024","","","","has coordinates","274972","2022-05-05","20:31:07",""
"7244412","15.8915","0.0006","15.1172","0.0006","23.9514","0.0009","90","","90","","90","","5754","0.4","150","2","150","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","IPhO-Cl6BsubPc","","- C30 H10 B Cl6 I N6 O -","- C30 H10 B Cl6 I N6 O -","- C240 H80 B8 Cl48 I8 N48 O8 -","8","2","","Wojtkiewicz, Kacper; Lough, Alan; Bender, Timothy P.","Analysis of the solvent effects on the crystal growth of peripherally chlorinated boron subphthalocyanines","CrystEngComm","2022","24","15","2791","2807","10.1039/D1CE01320C","","","0.71073","MoKα","","0.032","0.0284","","","0.0735","0.075","","","","","","1.04","","","","has coordinates","274972","2022-05-05","20:31:07",""
"7244413","8.4159","0.0011","12.6978","0.0017","13.8293","0.0017","105.309","0.004","107.316","0.004","101.13","0.004","1300.3","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H33 F N4 O5 -","- C25 H33 F N4 O5 -","- C50 H66 F2 N8 O10 -","2","1","","Boycov, Denis; Manin, Alex N.; Drozd, Ksenia V.; Andrei, Churakov; Perlovich, German L.","Thermal Methods Usage Features for Multicomponent Crystals Screening","CrystEngComm","2022","","","","","10.1039/D1CE01717A","","","0.71073","MoKα","","0.1033","0.066","","","0.1656","0.1846","","","","","","1.058","","","","has coordinates,has disorder","272954","2022-02-14","23:37:53",""
"7244414","9.3821","0.0004","10.9262","0.0005","13.5535","0.0006","80.9238","0.0017","79.5855","0.0017","73.4672","0.0018","1301.64","0.1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H35 F N4 O5 -","- C27 H35 F N4 O5 -","- C54 H70 F2 N8 O10 -","2","1","","Boycov, Denis; Manin, Alex N.; Drozd, Ksenia V.; Andrei, Churakov; Perlovich, German L.","Thermal Methods Usage Features for Multicomponent Crystals Screening","CrystEngComm","2022","","","","","10.1039/D1CE01717A","","","0.71073","MoKα","","0.0743","0.0516","","","0.1239","0.1324","","","","","","1.04","","","","has coordinates","272954","2022-02-14","23:37:54",""
"7244418","4.2682","0.0002","18.1897","0.001","19.6942","0.0012","90","","90","","90","","1529","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","10,13-DiBromo-dibenzo[a,c]phenazine","10,13-DiBromo-dibenzo[a,c]phenazine","","- C20 H10 Br2 N2 -","- C20 H10 Br2 N2 -","- C80 H40 Br8 N8 -","4","1","","Putta, Anjaneyulu; Gairhe, Shankar; Feng, Yao; Sun, Haoran","Stereo-electronic effect of the perfluoropropyl group on the solid-state molecular packing of isomeric dibenzo[a,c]phenazine derivatives","CrystEngComm","2022","","","","","10.1039/D2CE00019A","","","0.71073","MoKα","","0.0956","0.0407","","","0.0693","0.0847","","","","","","0.924","","","","has coordinates","272991","2022-02-16","23:34:08",""
"7244419","23.9534","0.0017","13.3698","0.0009","7.2037","0.0005","90","","93.922","0.003","90","","2301.6","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","3,6-bis(perfluoropropyl)-dibenzo[a, c] phenazine","3,6-bis(perfluoropropyl)-dibenzo[a, c] phenazine","","- C13 H5 F7 N -","- C13 H5 F7 N -","- C104 H40 F56 N8 -","8","1","","Putta, Anjaneyulu; Gairhe, Shankar; Feng, Yao; Sun, Haoran","Stereo-electronic effect of the perfluoropropyl group on the solid-state molecular packing of isomeric dibenzo[a,c]phenazine derivatives","CrystEngComm","2022","","","","","10.1039/D2CE00019A","","","0.71073","MoKα","","0.0958","0.0533","","","0.1309","0.1581","","","","","","1.02","","","","has coordinates","272991","2022-02-16","23:34:09",""
"7244420","16.0011","0.0017","5.2318","0.0005","27.377","0.003","90","","101.533","0.004","90","","2245.6","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","ParaC3F7dibenzphenazine","10,13-bis(perfluoropropyl)-dibenzo[a, c] phenazine","","- C26 H10 F14 N2 -","- C26 H10 F14 N2 -","- C104 H40 F56 N8 -","4","1","","Putta, Anjaneyulu; Gairhe, Shankar; Feng, Yao; Sun, Haoran","Stereo-electronic effect of the perfluoropropyl group on the solid-state molecular packing of isomeric dibenzo[a,c]phenazine derivatives","CrystEngComm","2022","","","","","10.1039/D2CE00019A","","","0.71073","MoKα","","0.0702","0.0483","","","0.1112","0.1221","","","","","","1.135","","","","has coordinates","272991","2022-02-16","23:34:09",""
"7244421","6.728","0.003","9.172","0.005","10.765","0.006","106.416","0.014","91.946","0.013","91.011","0.01","636.6","0.6","123","","123","","","","","","","","","5","P -1","-P 1","2","","4-cyanophenyl 4-(methylthio)benzoate","","- C15 H11 N O2 S -","- C15 H11 N O2 S -","- C30 H22 N2 O4 S2 -","2","1","","Arakawa, Yuki; Ishida, Yuko; Shiba, Takuma; Igawa, Kazunobu; Sasaki, Shunsuke; Tsuji, Hideto","Effects of alkylthio groups on phase transitions of organic molecules and liquid crystals: a comparative study with alkyl and alkoxy groups","CrystEngComm","2022","24","10","1877","1890","10.1039/D1CE01470F","","","0.71075","MoKα","","0.0551","0.0515","","","0.1247","0.1275","","","","","","1.202","","","","has coordinates","274971","2022-05-05","20:29:55",""
"7244422","22.6272","0.0012","5.4014","0.0003","7.6641","0.0004","90","","95.178","0.005","90","","932.87","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,4-phenylene bis(4-(methylthio)benzoate)","","- C44 H36 O8 S4 -","- C44 H36 O8 S4 -","- C44 H36 O8 S4 -","1","0.25","","Arakawa, Yuki; Ishida, Yuko; Shiba, Takuma; Igawa, Kazunobu; Sasaki, Shunsuke; Tsuji, Hideto","Effects of alkylthio groups on phase transitions of organic molecules and liquid crystals: a comparative study with alkyl and alkoxy groups","CrystEngComm","2022","24","10","1877","1890","10.1039/D1CE01470F","","x-ray","0.71073","MoKα","","0.0344","0.0314","","","0.0817","0.0835","","","","","","1.065","","","","has coordinates","274971","2022-05-05","20:30:05",""
"7244423","9.3222","0.0003","13.9997","0.0005","13.3672","0.0005","90","","99.663","0.004","90","","1719.78","0.11","120","","120","","","","","","","","","4","P 1 c 1","P -2yc","7","1SCB","","","- C14 H11 N S -","- C14 H11 N S -","- C84 H66 N6 S6 -","6","3","","Arakawa, Yuki; Ishida, Yuko; Shiba, Takuma; Igawa, Kazunobu; Sasaki, Shunsuke; Tsuji, Hideto","Effects of alkylthio groups on phase transitions of organic molecules and liquid crystals: a comparative study with alkyl and alkoxy groups","CrystEngComm","2022","24","10","1877","1890","10.1039/D1CE01470F","","x-ray","0.71073","MoKα","","0.0547","0.0439","","","0.1201","0.1276","","","","","","0.916","","","","has coordinates","274971","2022-05-05","20:30:05",""
"7244435","21.169","0.006","21.169","0.006","9.021","0.003","90","","90","","90","","4043","2","296","2","296.15","","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C36 H32 N6 O8 Zn3 -","- C36 H32 N6 O8 Zn3 -","- C144 H128 N24 O32 Zn12 -","4","0.5","","Shao, Juan-Juan; Ni, Jianling; Liang, Yu; Li, Guang-Jun; Chen, Lizhuang; Wang, Fang-Ming","Luminescent MOFs for selective sensing of Ag+ and other ions(Fe(III) and Cr(VI))in aqueous solution","CrystEngComm","2022","","","","","10.1039/D2CE00057A","","","0.71073","MoKα","","0.07","0.0658","","","0.1629","0.1657","","","","","","1.13","","","","has coordinates","273012","2022-02-17","23:36:58",""
"7244436","10.342","0.0017","10.0637","0.0016","12.093","0.002","90","","109.291","0.003","90","","1188","0.3","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 N6 Zn -","- C12 H8 N6 Zn -","- C48 H32 N24 Zn4 -","4","1","","Shao, Juan-Juan; Ni, Jianling; Liang, Yu; Li, Guang-Jun; Chen, Lizhuang; Wang, Fang-Ming","Luminescent MOFs for selective sensing of Ag+ and other ions(Fe(III) and Cr(VI))in aqueous solution","CrystEngComm","2022","","","","","10.1039/D2CE00057A","","","0.71073","MoKα","","0.0904","0.0425","","","0.0685","0.0846","","","","","","1.007","","","","has coordinates","273012","2022-02-17","23:36:59",""
"7244437","9.9844","0.0003","11.0973","0.0002","12.3341","0.0003","98.816","0.002","106.224","0.002","101.344","0.0019","1254.7","0.06","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 Au2 Cu N8 -","- C24 H16 Au2 Cu N8 -","- C48 H32 Au4 Cu2 N16 -","2","1","","Priola, Emanuele; Curetti, Nadia; Marabello, Domenica; Andreo, Jacopo; Giordana, Alessia; Andreo, Luca; Benna, Piera; Freire, Paulo Tarso Cavalcante; Benzi, Paola; Operti, Lorenza; Diana, Eliano","Crystal engineering of aurophilic supramolecular architectures and coordination polymers based on butterfly-like copper–dicyanoaurate complexes: vapochromism, P–T behaviour and multi-metallic cocrystal formation","CrystEngComm","2022","24","12","2336","2348","10.1039/D1CE00964H","","x-ray","0.71073","MoKα","","0.0445","0.0278","","","0.059","0.0658","","","","","","1.0278","","","","has coordinates","274974","2022-05-05","20:32:27",""
"7244438","9.688","0.002","10.331","0.002","12.372","0.003","97.57","0.02","104.512","0.019","102.93","0.02","1145","0.5","298","","298","","992","","992","","","","","5","P -1","-P 1","2","","","","- C24 H16 Au2 Cu N8 -","- C24 H16 Au2 Cu N8 -","- C48 H32 Au4 Cu2 N16 -","2","1","","Priola, Emanuele; Curetti, Nadia; Marabello, Domenica; Andreo, Jacopo; Giordana, Alessia; Andreo, Luca; Benna, Piera; Freire, Paulo Tarso Cavalcante; Benzi, Paola; Operti, Lorenza; Diana, Eliano","Crystal engineering of aurophilic supramolecular architectures and coordination polymers based on butterfly-like copper–dicyanoaurate complexes: vapochromism, P–T behaviour and multi-metallic cocrystal formation","CrystEngComm","2022","24","12","2336","2348","10.1039/D1CE00964H","","","0.71073","MoKα","","0.1126","0.0994","","","0.2185","0.2264","","","","","","1.131","","","","has coordinates","274974","2022-05-05","20:32:28",""
"7244439","9.645","0.005","10.125","0.006","12.395","0.006","96.68","0.05","104.09","0.05","104.23","0.05","1117.8","1.1","298","","298","","1590","","1590","","","","","5","P -1","-P 1","2","","","","- C24 H8 Au2 Cu N8 -","- C24 H15 Au2 Cu N8 -","- C48 H30 Au4 Cu2 N16 -","2","1","","Priola, Emanuele; Curetti, Nadia; Marabello, Domenica; Andreo, Jacopo; Giordana, Alessia; Andreo, Luca; Benna, Piera; Freire, Paulo Tarso Cavalcante; Benzi, Paola; Operti, Lorenza; Diana, Eliano","Crystal engineering of aurophilic supramolecular architectures and coordination polymers based on butterfly-like copper–dicyanoaurate complexes: vapochromism, P–T behaviour and multi-metallic cocrystal formation","CrystEngComm","2022","24","12","2336","2348","10.1039/D1CE00964H","","","0.71073","MoKα","","0.2352","0.1856","","","0.3703","0.4134","","","","","","1.169","","","","has coordinates","274974","2022-05-05","20:32:28",""
"7244440","7.8055","0.0007","18.3374","0.0016","22.0881","0.0017","90","","90","","90","","3161.5","0.5","342.9","0.7","342.9","0.7","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C28 H16 Au2 Cu Hg2 N12 -","- C28 H16 Au2 Cu Hg2 N12 -","- C112 H64 Au8 Cu4 Hg8 N48 -","4","0.25","","Priola, Emanuele; Curetti, Nadia; Marabello, Domenica; Andreo, Jacopo; Giordana, Alessia; Andreo, Luca; Benna, Piera; Freire, Paulo Tarso Cavalcante; Benzi, Paola; Operti, Lorenza; Diana, Eliano","Crystal engineering of aurophilic supramolecular architectures and coordination polymers based on butterfly-like copper–dicyanoaurate complexes: vapochromism, P–T behaviour and multi-metallic cocrystal formation","CrystEngComm","2022","24","12","2336","2348","10.1039/D1CE00964H","","x-ray","0.71073","MoKα","","0.0592","0.038","","","0.0744","0.0818","","","","","","1.036","","","","has coordinates","274974","2022-05-05","20:32:28",""
"7244441","9.916","0.002","10.95","0.003","12.278","0.002","98.765","0.019","105.877","0.017","101.38","0.02","1226.6","0.5","298","","298","","100","","100","","","","","5","P -1","-P 1","2","","","","- C24 H16 Au2 Cu N8 -","- C24 H16 Au2 Cu N8 -","- C48 H32 Au4 Cu2 N16 -","2","1","","Priola, Emanuele; Curetti, Nadia; Marabello, Domenica; Andreo, Jacopo; Giordana, Alessia; Andreo, Luca; Benna, Piera; Freire, Paulo Tarso Cavalcante; Benzi, Paola; Operti, Lorenza; Diana, Eliano","Crystal engineering of aurophilic supramolecular architectures and coordination polymers based on butterfly-like copper–dicyanoaurate complexes: vapochromism, P–T behaviour and multi-metallic cocrystal formation","CrystEngComm","2022","24","12","2336","2348","10.1039/D1CE00964H","","","0.71073","MoKα","","0.1023","0.0874","","","0.1978","0.2056","","","","","","1.127","","","","has coordinates","274974","2022-05-05","20:32:28",""
"7244442","9.64","0.006","10.225","0.007","12.417","0.008","97.79","0.07","103.42","0.06","104.21","0.07","1129.8","1.4","298","","298","","1340","","1340","","","","","5","P -1","-P 1","2","","","","- C24 H17 Au2 Cu N8 -","- C24 H16 Au2 Cu N8 -","- C48 H32 Au4 Cu2 N16 -","2","1","","Priola, Emanuele; Curetti, Nadia; Marabello, Domenica; Andreo, Jacopo; Giordana, Alessia; Andreo, Luca; Benna, Piera; Freire, Paulo Tarso Cavalcante; Benzi, Paola; Operti, Lorenza; Diana, Eliano","Crystal engineering of aurophilic supramolecular architectures and coordination polymers based on butterfly-like copper–dicyanoaurate complexes: vapochromism, P–T behaviour and multi-metallic cocrystal formation","CrystEngComm","2022","24","12","2336","2348","10.1039/D1CE00964H","","","0.71073","MoKα","","0.2059","0.1601","","","0.3583","0.3884","","","","","","1.033","","","","has coordinates","274974","2022-05-05","20:32:28",""
"7244443","20.838","0.0015","13.0922","0.0005","16.616","0.001","90","","103.178","0.007","90","","4413.7","0.5","298","","298","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C44 H30 Au2 Cu F6 N10 O S -","- C44 H30 Au2 Cu F6 N10 O S -","- C176 H120 Au8 Cu4 F24 N40 O4 S4 -","4","0.5","","Priola, Emanuele; Curetti, Nadia; Marabello, Domenica; Andreo, Jacopo; Giordana, Alessia; Andreo, Luca; Benna, Piera; Freire, Paulo Tarso Cavalcante; Benzi, Paola; Operti, Lorenza; Diana, Eliano","Crystal engineering of aurophilic supramolecular architectures and coordination polymers based on butterfly-like copper–dicyanoaurate complexes: vapochromism, P–T behaviour and multi-metallic cocrystal formation","CrystEngComm","2022","24","12","2336","2348","10.1039/D1CE00964H","","","0.71073","MoKα","","0.066","0.0376","","","0.0671","0.0769","","","","","","1.028","","","","has coordinates,has disorder","274974","2022-05-05","20:32:28",""
"7244444","9.9689","0.0003","11.1085","0.0004","12.3564","0.0004","98.799","0.003","106.251","0.003","101.677","0.003","1254.1","0.08","343","5","343","5","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 Au2 Cu N8 -","- C24 H16 Au2 Cu N8 -","- C48 H32 Au4 Cu2 N16 -","2","1","","Priola, Emanuele; Curetti, Nadia; Marabello, Domenica; Andreo, Jacopo; Giordana, Alessia; Andreo, Luca; Benna, Piera; Freire, Paulo Tarso Cavalcante; Benzi, Paola; Operti, Lorenza; Diana, Eliano","Crystal engineering of aurophilic supramolecular architectures and coordination polymers based on butterfly-like copper–dicyanoaurate complexes: vapochromism, P–T behaviour and multi-metallic cocrystal formation","CrystEngComm","2022","24","12","2336","2348","10.1039/D1CE00964H","","x-ray","0.71073","MoKα","","0.0619","0.0364","","","0.0654","0.0733","","","","","","1.035","","","","has coordinates","274974","2022-05-05","20:32:28",""
"7244445","9.9382","0.0003","10.9997","0.0003","12.2677","0.0003","99.233","0.002","106.193","0.002","100.783","0.002","1232.57","0.06","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 Au2 Cu N8 -","- C24 H16 Au2 Cu N8 -","- C48 H32 Au4 Cu2 N16 -","2","1","","Priola, Emanuele; Curetti, Nadia; Marabello, Domenica; Andreo, Jacopo; Giordana, Alessia; Andreo, Luca; Benna, Piera; Freire, Paulo Tarso Cavalcante; Benzi, Paola; Operti, Lorenza; Diana, Eliano","Crystal engineering of aurophilic supramolecular architectures and coordination polymers based on butterfly-like copper–dicyanoaurate complexes: vapochromism, P–T behaviour and multi-metallic cocrystal formation","CrystEngComm","2022","24","12","2336","2348","10.1039/D1CE00964H","","x-ray","0.71073","MoKα","","0.0514","0.0454","","","0.1224","0.1268","","","","","","1.044","","","","has coordinates","274974","2022-05-05","20:32:28",""
"7244446","9.953","0.0003","11.0325","0.0003","12.3018","0.0004","99.041","0.002","106.26","0.003","100.966","0.002","1240.98","0.07","230","","230","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 Au2 Cu N8 -","- C24 H16 Au2 Cu N8 -","- C48 H32 Au4 Cu2 N16 -","2","1","","Priola, Emanuele; Curetti, Nadia; Marabello, Domenica; Andreo, Jacopo; Giordana, Alessia; Andreo, Luca; Benna, Piera; Freire, Paulo Tarso Cavalcante; Benzi, Paola; Operti, Lorenza; Diana, Eliano","Crystal engineering of aurophilic supramolecular architectures and coordination polymers based on butterfly-like copper–dicyanoaurate complexes: vapochromism, P–T behaviour and multi-metallic cocrystal formation","CrystEngComm","2022","24","12","2336","2348","10.1039/D1CE00964H","","x-ray","0.71073","MoKα","","0.0422","0.0356","","","0.0864","0.0904","","","","","","1.044","","","","has coordinates","274974","2022-05-05","20:32:28",""
"7244447","7.7631","0.001","18.2826","0.0019","22.013","0.002","90","","90","","90","","3124.3","0.6","298","","298","","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C28 H16 Au2 Cu Hg2 N12 -","- C28 H16 Au2 Cu Hg2 N12 -","- C112 H64 Au8 Cu4 Hg8 N48 -","4","0.25","","Priola, Emanuele; Curetti, Nadia; Marabello, Domenica; Andreo, Jacopo; Giordana, Alessia; Andreo, Luca; Benna, Piera; Freire, Paulo Tarso Cavalcante; Benzi, Paola; Operti, Lorenza; Diana, Eliano","Crystal engineering of aurophilic supramolecular architectures and coordination polymers based on butterfly-like copper–dicyanoaurate complexes: vapochromism, P–T behaviour and multi-metallic cocrystal formation","CrystEngComm","2022","24","12","2336","2348","10.1039/D1CE00964H","","x-ray","0.71073","MoKα","","0.056","0.0391","","","0.0814","0.0896","","","","","","1.0818","","","","has coordinates,has disorder","274974","2022-05-05","20:32:28",""
"7244448","11.1876","0.0007","11.8612","0.0008","12.4954","0.0007","98.846","0.005","101.818","0.005","97.377","0.005","1581.6","0.18","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H30 Au2 Cu N8 O3 -","- C28 H30 Au2 Cu N8 O3 -","- C56 H60 Au4 Cu2 N16 O6 -","2","1","","Priola, Emanuele; Curetti, Nadia; Marabello, Domenica; Andreo, Jacopo; Giordana, Alessia; Andreo, Luca; Benna, Piera; Freire, Paulo Tarso Cavalcante; Benzi, Paola; Operti, Lorenza; Diana, Eliano","Crystal engineering of aurophilic supramolecular architectures and coordination polymers based on butterfly-like copper–dicyanoaurate complexes: vapochromism, P–T behaviour and multi-metallic cocrystal formation","CrystEngComm","2022","24","12","2336","2348","10.1039/D1CE00964H","","","0.71073","MoKα","","0.0737","0.0427","","","0.0531","0.0624","","","","","","0.982","","","","has coordinates","274974","2022-05-05","20:32:28",""
"7244449","7.7326","0.0002","18.2993","0.0006","22.0376","0.0006","90","","90","","90","","3118.35","0.16","200","","200","","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C28 H16 Au2 Cu Hg2 N12 -","- C28 H16 Au2 Cu Hg2 N12 -","- C112 H64 Au8 Cu4 Hg8 N48 -","4","0.25","","Priola, Emanuele; Curetti, Nadia; Marabello, Domenica; Andreo, Jacopo; Giordana, Alessia; Andreo, Luca; Benna, Piera; Freire, Paulo Tarso Cavalcante; Benzi, Paola; Operti, Lorenza; Diana, Eliano","Crystal engineering of aurophilic supramolecular architectures and coordination polymers based on butterfly-like copper–dicyanoaurate complexes: vapochromism, P–T behaviour and multi-metallic cocrystal formation","CrystEngComm","2022","24","12","2336","2348","10.1039/D1CE00964H","","","0.71073","MoKα","","0.047","0.038","","","0.0783","0.0814","","","","","","1.16","","","","has coordinates,has disorder","274974","2022-05-05","20:32:28",""
"7244450","15.2706","0.001","14.29","0.0006","12.7118","0.001","90","","114.476","0.009","90","","2524.6","0.3","298","","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Au2 Cu N8 O -","- C24 H18 Au2 Cu N8 O -","- C96 H72 Au8 Cu4 N32 O4 -","4","1","","Priola, Emanuele; Curetti, Nadia; Marabello, Domenica; Andreo, Jacopo; Giordana, Alessia; Andreo, Luca; Benna, Piera; Freire, Paulo Tarso Cavalcante; Benzi, Paola; Operti, Lorenza; Diana, Eliano","Crystal engineering of aurophilic supramolecular architectures and coordination polymers based on butterfly-like copper–dicyanoaurate complexes: vapochromism, P–T behaviour and multi-metallic cocrystal formation","CrystEngComm","2022","24","12","2336","2348","10.1039/D1CE00964H","","","0.71073","MoKα","","0.0673","0.036","","","0.0551","0.0639","","","","","","0.994","","","","has coordinates","274974","2022-05-05","20:32:28",""
"7244451","11.7397","0.0011","12.2661","0.0014","13.3343","0.0017","87.894","0.01","75.657","0.009","64.038","0.01","1666.9","0.4","295","5","295","5","","","","","","","","5","P -1","-P 1","2","","","","- C32 H21 Au2 Cu2 N11 -","- C32 H21 Au2 Cu2 N11 -","- C64 H42 Au4 Cu4 N22 -","2","1","","Priola, Emanuele; Curetti, Nadia; Marabello, Domenica; Andreo, Jacopo; Giordana, Alessia; Andreo, Luca; Benna, Piera; Freire, Paulo Tarso Cavalcante; Benzi, Paola; Operti, Lorenza; Diana, Eliano","Crystal engineering of aurophilic supramolecular architectures and coordination polymers based on butterfly-like copper–dicyanoaurate complexes: vapochromism, P–T behaviour and multi-metallic cocrystal formation","CrystEngComm","2022","24","12","2336","2348","10.1039/D1CE00964H","","x-ray","0.71073","MoKα","","0.0992","0.0539","","","0.1329","0.1903","","","","","","1.025","","","","has coordinates","274974","2022-05-05","20:32:28",""
"7244455","6.782","0.0013","9.3889","0.0017","17.885","0.003","94.958","0.013","96.022","0.013","92.421","0.013","1126.8","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C60 H32 N10 -","- C60 H32 N10 -","- C60 H32 N10 -","1","0.5","","Mandal, Arkalekha","Tuning p-type to n-type semiconductor nature by charge transfer cocrystallization: effect of transfer integral vs. reorganization energy","CrystEngComm","2022","","","","","10.1039/D2CE00006G","","","0.71073","MoKα","","0.1601","0.0688","","","0.1811","0.2286","","","","","","1.025","","","","has coordinates,has disorder","273071","2022-02-21","23:33:36",""
"7244456","10.5277","0.0004","30.222","0.001","26.182","0.001","90","","100.361","0.004","90","","8194.4","0.5","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H82 Cu3 N10 O39 P6 -","- C66 H46 Cu3 N10 O39 P6 -","- C264 H184 Cu12 N40 O156 P24 -","4","1","","Quiñone, Delfina; Veiga, Nicolás; Savastano, Matteo; Torres, Julia; Bianchi, Antonio; Kremer, Carlos; Bazzicalupi, Carla","Supramolecular interaction of inositol phosphates with Cu(II): comparative study InsP6-InsP3","CrystEngComm","2022","","","","","10.1039/D1CE01733K","","","0.71073","MoKα","","0.1188","0.0844","","","0.1999","0.2205","","","","","","1.098","","","","has coordinates","273072","2022-02-21","23:34:21",""
"7244457","14.6359","0.0005","14.6677","0.0005","15.1995","0.0008","63.897","0.004","64.765","0.004","65.067","0.004","2538.2","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H56 Cu2 N6 O26.5 P3 -","- C36 H34 Cu2 N6 O26.5 P3 -","- C72 H68 Cu4 N12 O53 P6 -","2","1","","Quiñone, Delfina; Veiga, Nicolás; Savastano, Matteo; Torres, Julia; Bianchi, Antonio; Kremer, Carlos; Bazzicalupi, Carla","Supramolecular interaction of inositol phosphates with Cu(II): comparative study InsP6-InsP3","CrystEngComm","2022","","","","","10.1039/D1CE01733K","","","1.54184","CuKα","","0.1113","0.0799","","","0.2054","0.2659","","","","","","1.035","","","","has coordinates","273072","2022-02-21","23:34:22",""
"7244458","7.2514","0.0002","7.4533","0.0003","12.9171","0.0004","78.29","0.002","81.497","0.003","71.575","0.002","645.92","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","poly[[tetrakis[2-(1,2,4-triazol-4-yl)acetato)]tetrasilver(I)] dihydrate]]","","- C16 H20 Ag4 N12 O10 -","- C16 H20 Ag4 N12 O10 -","- C16 H20 Ag4 N12 O10 -","1","0.5","","Senchyk, Ganna A.; Lysenko, Andrey B.; Krautscheid, Harald; Rusanov, Eduard B.; Karbowiak, Miroslaw; Domasevitch, Kostiantyn V.","1,2,4-Triazolyl-4-acetate: a ditopic ligand combining soft and hard donor sites in homometallic (AgI) and heterometallic (AgI/UVI) coordination polymers","CrystEngComm","2022","","","","","10.1039/D1CE01549D","","","0.71073","MoKα","","0.03","0.0232","","","0.053","0.0559","","","","","","1.04","","","","has coordinates","273073","2022-02-21","23:35:26",""
"7244459","11.8427","0.001","16.4538","0.001","9.059","0.0008","90","","92.905","0.007","90","","1762.9","0.2","173","2","173","2","","","","","","","","6","P 1 c 1","P -2yc","7","","poly[[tetrakis[2-(1,2,4-triazol-4-yl)acetato)]-bis(Nitrato)]-aqua- tetrasilver(I)] aquadioxouranium(VI) Trihydrate]","","- C16 H26 Ag4 N14 O21 U -","- C16 H26 Ag4 N14 O21 U -","- C32 H52 Ag8 N28 O42 U2 -","2","1","","Senchyk, Ganna A.; Lysenko, Andrey B.; Krautscheid, Harald; Rusanov, Eduard B.; Karbowiak, Miroslaw; Domasevitch, Kostiantyn V.","1,2,4-Triazolyl-4-acetate: a ditopic ligand combining soft and hard donor sites in homometallic (AgI) and heterometallic (AgI/UVI) coordination polymers","CrystEngComm","2022","","","","","10.1039/D1CE01549D","","","0.71073","MoKα","","0.0291","0.0258","","","0.0658","0.0668","","","","","","0.988","","","","has coordinates","273073","2022-02-21","23:35:29",""
"7244460","7.2551","0.0006","7.517","0.0007","15.0801","0.0013","97.061","0.01","98.041","0.01","109.612","0.009","754.26","0.13","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","poly[[bis[2-(1,2,4-triazol-4-yl)acetato)]-bis[2-(1,2,4-triazol-4-yl)acetic acid)]tetrasilver(I)] dinitrate dihydrate]]","","- C16 H22 Ag4 N14 O16 -","- C16 H22 Ag4 N14 O16 -","- C16 H22 Ag4 N14 O16 -","1","0.5","","Senchyk, Ganna A.; Lysenko, Andrey B.; Krautscheid, Harald; Rusanov, Eduard B.; Karbowiak, Miroslaw; Domasevitch, Kostiantyn V.","1,2,4-Triazolyl-4-acetate: a ditopic ligand combining soft and hard donor sites in homometallic (AgI) and heterometallic (AgI/UVI) coordination polymers","CrystEngComm","2022","","","","","10.1039/D1CE01549D","","","0.71073","MoKα","","0.0323","0.0238","","","0.0554","0.0569","","","","","","0.91","","","","has coordinates","273073","2022-02-21","23:35:29",""
"7244461","9.5892","0.001","15.8614","0.0012","22.064","0.002","90","","94.822","0.008","90","","3344","0.5","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","poly[[decakis[2-(1,2,4-triazol-4-yl)acetato)]-hexasilver(I)] bis- [dioxouranium(VI)] Heptahydrate]","","- C40 H54 Ag6 N30 O31 U2 -","- C40 H40 Ag6 N30 O31 U2 -","- C80 H80 Ag12 N60 O62 U4 -","2","0.5","","Senchyk, Ganna A.; Lysenko, Andrey B.; Krautscheid, Harald; Rusanov, Eduard B.; Karbowiak, Miroslaw; Domasevitch, Kostiantyn V.","1,2,4-Triazolyl-4-acetate: a ditopic ligand combining soft and hard donor sites in homometallic (AgI) and heterometallic (AgI/UVI) coordination polymers","CrystEngComm","2022","","","","","10.1039/D1CE01549D","","","0.71073","MoKα","","0.1012","0.0472","","","0.0741","0.0849","","","","","","0.863","","","","has coordinates","273073","2022-02-21","23:35:30",""
"7244468","22.0708","0.0002","22.5278","0.0002","27.0547","0.0003","100.228","0.001","112.333","0.001","90.301","0.001","12205.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C466 H323.76 Gd10 N12 O88 -","- C466 H323.736 Gd10 N12 O88 -","- C466 H323.736 Gd10 N12 O88 -","1","0.5","","Li, Yu-Guang; Hu, Jun-Jie; Zhang, Jia-Li; Liu, Sui-Jun; Peng, Yan; Wen, He-Rui","Lanthanide-based metal-organic framework materials as bifunctional fluorescence sensors toward acetylacetone and aspartic acid","CrystEngComm","2022","","","","","10.1039/D2CE00174H","","","0.71073","MoKα","","0.085","0.0669","","","0.1937","0.2109","","","","","","1.131","","","","has coordinates,has disorder","273115","2022-02-22","23:36:25",""
"7244469","12.2051","0.0003","15.5772","0.0002","12.8295","0.0003","90","","116.732","0.003","90","","2178.46","0.1","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 Li4 N2 O8 -","- C20 H22 Li4 N2 O8 -","- C80 H88 Li16 N8 O32 -","4","1","","Abrahams, Brendan F.; Commons, Christopher J.; Dharma, A. David; Hudson, Timothy A.; Robson, Richard; Sanchez Arlt, Robin W.; Stewart, Thomas C.; White, Keith F.","Synthesis, structure and properties of coordination polymers formed from bridging 4-hydroxybenzoic acid anions","CrystEngComm","2022","","","","","10.1039/D2CE00163B","","","1.54184","CuKα","","0.0498","0.0406","","","0.1119","0.1164","","","","","","1.05","","","","has coordinates","273116","2022-02-22","23:37:27",""
"7244470","10.9854","0.0004","15.4568","0.0005","12.8852","0.0005","90","","112.395","0.004","90","","2022.88","0.14","130","1","130","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 Mg O10 -","- C18 H22 Mg O10 -","- C72 H88 Mg4 O40 -","4","0.5","","Abrahams, Brendan F.; Commons, Christopher J.; Dharma, A. David; Hudson, Timothy A.; Robson, Richard; Sanchez Arlt, Robin W.; Stewart, Thomas C.; White, Keith F.","Synthesis, structure and properties of coordination polymers formed from bridging 4-hydroxybenzoic acid anions","CrystEngComm","2022","","","","","10.1039/D2CE00163B","","x-ray","1.54184","CuKα","","0.0497","0.04","","","0.1046","0.1118","","","","","","1.056","","","","has coordinates","273116","2022-02-22","23:37:28",""
"7244471","17.5458","0.0002","8.3002","0.0001","18.1756","0.0002","90","","102.014","0.001","90","","2589","0.05","256","1","256","1","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C22 H26 Cu3 O12 -","- C22 H26 Cu3 O12 -","- C88 H104 Cu12 O48 -","4","1","","Abrahams, Brendan F.; Commons, Christopher J.; Dharma, A. David; Hudson, Timothy A.; Robson, Richard; Sanchez Arlt, Robin W.; Stewart, Thomas C.; White, Keith F.","Synthesis, structure and properties of coordination polymers formed from bridging 4-hydroxybenzoic acid anions","CrystEngComm","2022","","","","","10.1039/D2CE00163B","","x-ray","1.54184","CuKα","","0.0468","0.0432","","","0.1191","0.1219","","","","","","1.069","","","","has coordinates,has disorder","273116","2022-02-22","23:37:28",""
"7244472","22.444","0.0002","8.0639","0.0001","27.9872","0.0003","90","","92.354","0.001","90","","5061.02","0.09","100","1","100","1","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C44 H52 Cu6 O24 -","- C44 H52 Cu6 O24 -","- C176 H208 Cu24 O96 -","4","1","","Abrahams, Brendan F.; Commons, Christopher J.; Dharma, A. David; Hudson, Timothy A.; Robson, Richard; Sanchez Arlt, Robin W.; Stewart, Thomas C.; White, Keith F.","Synthesis, structure and properties of coordination polymers formed from bridging 4-hydroxybenzoic acid anions","CrystEngComm","2022","","","","","10.1039/D2CE00163B","","x-ray","1.54184","CuKα","","0.0419","0.0394","","","0.1135","0.1156","","","","","","1.056","","","","has coordinates,has disorder","273116","2022-02-22","23:37:29",""
"7244473","15.9766","0.0002","16.842","0.0003","22.9222","0.0004","90","","90","","90","","6167.86","0.17","298","0.2","298","0.2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H28 N8 O6 Zn2 -","- C30 H28 N8 O6 Zn2 -","- C240 H224 N64 O48 Zn16 -","8","1","","Mudi, Prafullya Kumar; Singla, Labhini; Chamuah, Anil; Bhattacharya, Sanjib; Roychoudhury, Angshuman; Biswas, Bhaskar","Schiff Base Driven Denticity-Fluctuated Structural Assortment of Zinc-pseudohalide Complexes: Synthesis, Structures and Electrical Transport Properties","CrystEngComm","2022","","","","","10.1039/D1CE01646F","","x-ray","0.71073","MoKα","","0.0847","0.0452","","","0.1168","0.1419","","","","","","1.031","","","","has coordinates","273117","2022-02-22","23:38:26",""
"7244474","32.3897","0.0008","10.8311","0.0004","18.4897","0.0007","90","","90.591","0.003","90","","6486.1","0.4","296","0.2","296","0.2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H30 N4 O6 S2 Zn -","- C32 H30 N4 O6 S2 Zn -","- C256 H240 N32 O48 S16 Zn8 -","8","1","","Mudi, Prafullya Kumar; Singla, Labhini; Chamuah, Anil; Bhattacharya, Sanjib; Roychoudhury, Angshuman; Biswas, Bhaskar","Schiff Base Driven Denticity-Fluctuated Structural Assortment of Zinc-pseudohalide Complexes: Synthesis, Structures and Electrical Transport Properties","CrystEngComm","2022","","","","","10.1039/D1CE01646F","","x-ray","0.71073","MoKα","","0.1039","0.0514","","","0.1372","0.1734","","","","","","1.012","","","","has coordinates","273117","2022-02-22","23:38:27",""
"7244475","7.6004","0.0003","14.1706","0.0005","20.2294","0.0008","90","","90","","90","","2178.75","0.14","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H10 Cu F N O4 -","- C10 H10 Cu F N O4 -","- C80 H80 Cu8 F8 N8 O32 -","8","1","","Li, Zhongkui; Su, Hao; Zhu, Yanhong; Yan, Li; Li, Hui","Structural transformation of copper coordination complexes accompanied with chiral transformation","CrystEngComm","2022","","","","","10.1039/D1CE01711J","","","0.71073","MoKα","","0.0425","0.0323","","","0.1197","0.1302","","","","","","1.016","","","","has coordinates","273118","2022-02-22","23:39:39",""
"7244476","7.7611","0.0012","14.453","0.002","20.556","0.003","90","","90","","90","","2305.8","0.6","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C11 H12 Cu F N O4 -","- C11 H12 Cu F N O4 -","- C88 H96 Cu8 F8 N8 O32 -","8","1","","Li, Zhongkui; Su, Hao; Zhu, Yanhong; Yan, Li; Li, Hui","Structural transformation of copper coordination complexes accompanied with chiral transformation","CrystEngComm","2022","","","","","10.1039/D1CE01711J","","","0.71073","MoKα","","0.0509","0.032","","","0.0776","0.0852","","","","","","1.076","","","","has coordinates","273118","2022-02-22","23:39:39",""
"7244477","17.218","0.013","6.78","0.005","17.448","0.01","90","","110.89","0.02","90","","1903","2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 Cu2 F2 N2 O9 -","- C18 H18 Cu2 F2 N2 O9 -","- C72 H72 Cu8 F8 N8 O36 -","4","0.5","","Li, Zhongkui; Su, Hao; Zhu, Yanhong; Yan, Li; Li, Hui","Structural transformation of copper coordination complexes accompanied with chiral transformation","CrystEngComm","2022","","","","","10.1039/D1CE01711J","","","0.71073","MoKα","","0.0753","0.0545","","","0.1571","0.1765","","","","","","1.073","","","","has coordinates","273118","2022-02-22","23:39:39",""
"7244478","6.6777","0.0004","8.5198","0.0005","33.3475","0.0018","90","","90","","90","","1897.23","0.19","296","2","296.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H14 Cu2 F2 N2 O7 -","- C18 H14 Cu2 F2 N2 O7 -","- C72 H56 Cu8 F8 N8 O28 -","4","1","","Li, Zhongkui; Su, Hao; Zhu, Yanhong; Yan, Li; Li, Hui","Structural transformation of copper coordination complexes accompanied with chiral transformation","CrystEngComm","2022","","","","","10.1039/D1CE01711J","","","0.71073","MoKα","","0.0478","0.0379","","","0.0776","0.081","","","","","","1.076","","","","has coordinates","273118","2022-02-22","23:39:39",""
"7244479","8.2976","0.0004","14.3385","0.0005","12.503","0.0004","90","","92.169","0.004","90","","1486.48","0.1","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","PF-AgNO3","","- C13 H12 Ag N5 O5 -","- C13 H12 Ag N5 O5 -","- C52 H48 Ag4 N20 O20 -","4","1","","Mouli, M. S. S. Vinod; Mishra, Ashutosh Kumar","Formation of the silver-flavin coordination polymers and their morphological studies","CrystEngComm","2022","","","","","10.1039/D2CE00071G","","x-ray","1.54184","CuKα","","0.0515","0.0441","","","0.1162","0.1242","","","","","","1.038","","","","has coordinates","273119","2022-02-22","23:40:32",""
"7244480","8.9525","0.0018","14.411","0.003","11.948","0.002","90","","93.5","0.03","90","","1538.6","0.5","298","","298","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","PF-AgBF4","","- C13 H12 Ag B F4 N4 O2 -","- C13 H12 Ag B F4 N4 O2 -","- C52 H48 Ag4 B4 F16 N16 O8 -","4","1","","Mouli, M. S. S. Vinod; Mishra, Ashutosh Kumar","Formation of the silver-flavin coordination polymers and their morphological studies","CrystEngComm","2022","","","","","10.1039/D2CE00071G","","","0.71073","MoKα","","0.0718","0.0506","","","0.1211","0.1359","","","","","","1.048","","","","has coordinates","273119","2022-02-22","23:40:33",""
"7244501","8.1444","0.0001","14.7371","0.0002","18.1313","0.0003","90","","90","","90","","2176.21","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H31 F O2 -","- C28 H31 F O2 -","- C112 H124 F4 O8 -","4","1","","Vorontsova, Svetlana K.; Zavarzin, Igor V.; Shirinian, Valerii Z.; Bozhenko, Eugene I.; Andreeva, Olga E.; Sorokin, Danila V.; Scherbakov, Alexander M.; Minyaev, Mikhail E.","Synthesis and crystal structures of D-annulated pentacyclic steroids: looking within and beyond AR signalling in prostate cancer","CrystEngComm","2022","24","11","2089","2099","10.1039/D1CE01417J","","","0.71073","MoKα","","0.0365","0.0329","","","0.0882","0.0918","","","","","","1.089","","","","has coordinates","274973","2022-05-05","20:32:04",""
"7244502","9.6737","0.0002","13.7426","0.0003","17.4902","0.0004","90","","90","","90","","2325.18","0.09","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H33 Br O2 -","- C28 H33 Br O2 -","- C112 H132 Br4 O8 -","4","1","","Vorontsova, Svetlana K.; Zavarzin, Igor V.; Shirinian, Valerii Z.; Bozhenko, Eugene I.; Andreeva, Olga E.; Sorokin, Danila V.; Scherbakov, Alexander M.; Minyaev, Mikhail E.","Synthesis and crystal structures of D-annulated pentacyclic steroids: looking within and beyond AR signalling in prostate cancer","CrystEngComm","2022","24","11","2089","2099","10.1039/D1CE01417J","","","0.71073","MoKα","","0.0383","0.0311","","","0.0753","0.0781","","","","","","1.054","","","","has coordinates","274973","2022-05-05","20:32:05",""
"7244503","7.4163","0.0002","24.3559","0.0006","26.0244","0.0006","90","","90","","90","","4700.8","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 Br Cl O2 -","- C28 H32 Br Cl O2 -","- C224 H256 Br8 Cl8 O16 -","8","2","","Vorontsova, Svetlana K.; Zavarzin, Igor V.; Shirinian, Valerii Z.; Bozhenko, Eugene I.; Andreeva, Olga E.; Sorokin, Danila V.; Scherbakov, Alexander M.; Minyaev, Mikhail E.","Synthesis and crystal structures of D-annulated pentacyclic steroids: looking within and beyond AR signalling in prostate cancer","CrystEngComm","2022","24","11","2089","2099","10.1039/D1CE01417J","","","0.71073","MoKα","","0.0574","0.0387","","","0.067","0.0754","","","","","","1.056","","","","has coordinates","274973","2022-05-05","20:32:05",""
"7244504","9.6037","0.0002","14.6224","0.0004","16.3071","0.0004","90","","90","","90","","2289.99","0.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 Cl F O2 -","- C28 H32 Cl F O2 -","- C112 H128 Cl4 F4 O8 -","4","1","","Vorontsova, Svetlana K.; Zavarzin, Igor V.; Shirinian, Valerii Z.; Bozhenko, Eugene I.; Andreeva, Olga E.; Sorokin, Danila V.; Scherbakov, Alexander M.; Minyaev, Mikhail E.","Synthesis and crystal structures of D-annulated pentacyclic steroids: looking within and beyond AR signalling in prostate cancer","CrystEngComm","2022","24","11","2089","2099","10.1039/D1CE01417J","","","0.71073","MoKα","","0.0453","0.0386","","","0.103","0.1084","","","","","","1.064","","","","has coordinates,has disorder","274973","2022-05-05","20:32:05",""
"7244505","7.3425","0.0004","19.7162","0.0012","31.4052","0.0019","90","","90","","90","","4546.4","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 Cl F O2 -","- C28 H32 Cl F O2 -","- C224 H256 Cl8 F8 O16 -","8","2","","Vorontsova, Svetlana K.; Zavarzin, Igor V.; Shirinian, Valerii Z.; Bozhenko, Eugene I.; Andreeva, Olga E.; Sorokin, Danila V.; Scherbakov, Alexander M.; Minyaev, Mikhail E.","Synthesis and crystal structures of D-annulated pentacyclic steroids: looking within and beyond AR signalling in prostate cancer","CrystEngComm","2022","24","11","2089","2099","10.1039/D1CE01417J","","","0.71073","MoKα","","0.0867","0.0637","","","0.154","0.1694","","","","","","1.027","","","","has coordinates","274973","2022-05-05","20:32:05",""
"7244506","7.5823","0.0002","12.3043","0.0004","24.7321","0.0008","90","","90","","90","","2307.38","0.12","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 Cl2 O2 -","- C28 H32 Cl2 O2 -","- C112 H128 Cl8 O8 -","4","1","","Vorontsova, Svetlana K.; Zavarzin, Igor V.; Shirinian, Valerii Z.; Bozhenko, Eugene I.; Andreeva, Olga E.; Sorokin, Danila V.; Scherbakov, Alexander M.; Minyaev, Mikhail E.","Synthesis and crystal structures of D-annulated pentacyclic steroids: looking within and beyond AR signalling in prostate cancer","CrystEngComm","2022","24","11","2089","2099","10.1039/D1CE01417J","","","0.71073","MoKα","","0.0471","0.0387","","","0.0891","0.0949","","","","","","1.043","","","","has coordinates","274973","2022-05-05","20:32:05",""
"7244507","16.9823","0.0003","19.7469","0.0004","7.0709","0.0001","90","","90","","90","","2371.21","0.07","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C28 H32 Br O2.5 -","- C28.0006 H32.0005 Br1.0001 O2.5 -","- C112.002 H128.002 Br4.0004 O10 -","4","1","","Vorontsova, Svetlana K.; Zavarzin, Igor V.; Shirinian, Valerii Z.; Bozhenko, Eugene I.; Andreeva, Olga E.; Sorokin, Danila V.; Scherbakov, Alexander M.; Minyaev, Mikhail E.","Synthesis and crystal structures of D-annulated pentacyclic steroids: looking within and beyond AR signalling in prostate cancer","CrystEngComm","2022","24","11","2089","2099","10.1039/D1CE01417J","","","0.71073","MoKα","","0.0631","0.0437","","","0.1099","0.121","","","","","","1.031","","","","has coordinates,has disorder","274973","2022-05-05","20:32:05",""
"7244508","9.5984","0.0002","13.7895","0.0004","17.3969","0.0004","90","","90","","90","","2302.6","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H33 Cl O2 -","- C28 H33 Cl O2 -","- C112 H132 Cl4 O8 -","4","1","","Vorontsova, Svetlana K.; Zavarzin, Igor V.; Shirinian, Valerii Z.; Bozhenko, Eugene I.; Andreeva, Olga E.; Sorokin, Danila V.; Scherbakov, Alexander M.; Minyaev, Mikhail E.","Synthesis and crystal structures of D-annulated pentacyclic steroids: looking within and beyond AR signalling in prostate cancer","CrystEngComm","2022","24","11","2089","2099","10.1039/D1CE01417J","","","0.71073","MoKα","","0.0403","0.0352","","","0.0836","0.0877","","","","","","1.054","","","","has coordinates","274973","2022-05-05","20:32:05",""
"7244509","7.5079","0.0002","10.4189","0.0003","30.1049","0.0009","90","","90","","90","","2354.93","0.12","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 Br Cl O2 -","- C28 H32 Br Cl O2 -","- C112 H128 Br4 Cl4 O8 -","4","1","","Vorontsova, Svetlana K.; Zavarzin, Igor V.; Shirinian, Valerii Z.; Bozhenko, Eugene I.; Andreeva, Olga E.; Sorokin, Danila V.; Scherbakov, Alexander M.; Minyaev, Mikhail E.","Synthesis and crystal structures of D-annulated pentacyclic steroids: looking within and beyond AR signalling in prostate cancer","CrystEngComm","2022","24","11","2089","2099","10.1039/D1CE01417J","","","0.71073","MoKα","","0.0553","0.0386","","","0.0788","0.0873","","","","","","1.018","","","","has coordinates","274973","2022-05-05","20:32:05",""
"7244510","8.2415","0.0003","14.6409","0.0006","17.9646","0.0008","90","","90","","90","","2167.66","0.15","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H31 F O2 -","- C28 H31 F O2 -","- C112 H124 F4 O8 -","4","1","","Vorontsova, Svetlana K.; Zavarzin, Igor V.; Shirinian, Valerii Z.; Bozhenko, Eugene I.; Andreeva, Olga E.; Sorokin, Danila V.; Scherbakov, Alexander M.; Minyaev, Mikhail E.","Synthesis and crystal structures of D-annulated pentacyclic steroids: looking within and beyond AR signalling in prostate cancer","CrystEngComm","2022","24","11","2089","2099","10.1039/D1CE01417J","","","0.71073","MoKα","","0.0728","0.0498","","","0.1137","0.128","","","","","","1.036","","","","has coordinates","274973","2022-05-05","20:32:05",""
"7244511","8.1994","0.0002","9.5995","0.0002","29.1554","0.0007","90","","90","","90","","2294.83","0.09","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 Cl F O2 -","- C28 H32 Cl F O2 -","- C112 H128 Cl4 F4 O8 -","4","1","","Vorontsova, Svetlana K.; Zavarzin, Igor V.; Shirinian, Valerii Z.; Bozhenko, Eugene I.; Andreeva, Olga E.; Sorokin, Danila V.; Scherbakov, Alexander M.; Minyaev, Mikhail E.","Synthesis and crystal structures of D-annulated pentacyclic steroids: looking within and beyond AR signalling in prostate cancer","CrystEngComm","2022","24","11","2089","2099","10.1039/D1CE01417J","","","0.71073","MoKα","","0.0538","0.0403","","","0.0945","0.1027","","","","","","1.068","","","","has coordinates","274973","2022-05-05","20:32:05",""
"7244512","7.357","0.0001","15.9989","0.0003","19.5774","0.0004","90","","90","","90","","2304.34","0.07","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H33 Cl O2 -","- C28 H33 Cl O2 -","- C112 H132 Cl4 O8 -","4","1","","Vorontsova, Svetlana K.; Zavarzin, Igor V.; Shirinian, Valerii Z.; Bozhenko, Eugene I.; Andreeva, Olga E.; Sorokin, Danila V.; Scherbakov, Alexander M.; Minyaev, Mikhail E.","Synthesis and crystal structures of D-annulated pentacyclic steroids: looking within and beyond AR signalling in prostate cancer","CrystEngComm","2022","24","11","2089","2099","10.1039/D1CE01417J","","","0.71073","MoKα","","0.0497","0.0402","","","0.0988","0.1061","","","","","","1.029","","","","has coordinates","274973","2022-05-05","20:32:05",""
"7244513","7.1368","0.0003","7.753","0.0003","12.3724","0.0005","90","","99.282","0.002","90","","675.62","0.05","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H11 N3 O5 -","- C15 H11 N3 O5 -","- C30 H22 N6 O10 -","2","1","","Fedyanin, Ivan V.","Control of supramolecular chirality in co-crystals of achiral molecules via stacking interactions and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D2CE00081D","","","0.71073","MoKα","","0.0538","0.0431","","","0.1019","0.1088","","","","","","1.015","","","","has coordinates","273148","2022-02-24","23:38:28",""
"7244514","11.3941","0.0002","8.2165","0.0002","12.747","0.0002","90","","107.605","0.001","90","","1137.48","0.04","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 N6 O10 -","- C24 H16 N6 O10 -","- C48 H32 N12 O20 -","2","0.5","","Fedyanin, Ivan V.","Control of supramolecular chirality in co-crystals of achiral molecules via stacking interactions and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D2CE00081D","","","1.54178","CuKα","","0.0345","0.0338","","","0.0839","0.0844","","","","","","1.005","","","","has coordinates","273148","2022-02-24","23:38:42",""
"7244515","6.9648","0.0002","8.0641","0.0002","30.4792","0.0007","90","","91.702","0.001","90","","1711.1","0.08","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 N3 O5 -","- C20 H15 N3 O5 -","- C80 H60 N12 O20 -","4","1","","Fedyanin, Ivan V.","Control of supramolecular chirality in co-crystals of achiral molecules via stacking interactions and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D2CE00081D","","","1.54178","CuKα","","0.0407","0.0383","","","0.1088","0.1103","","","","","","1.049","","","","has coordinates","273148","2022-02-24","23:38:42",""
"7244516","20.2772","0.0005","6.5794","0.0002","17.0425","0.0004","90","","92.2871","0.0016","90","","2271.86","0.1","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 N6 O10 -","- C24 H16 N6 O10 -","- C96 H64 N24 O40 -","4","1","","Fedyanin, Ivan V.","Control of supramolecular chirality in co-crystals of achiral molecules via stacking interactions and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D2CE00081D","","","1.54178","CuKα","","0.0534","0.0375","","","0.0873","0.0949","","","","","","1.048","","","","has coordinates","273148","2022-02-24","23:38:42",""
"7244517","7.9898","0.0003","7.0018","0.0003","25.9225","0.0011","90","","91.907","0.002","90","","1449.38","0.1","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H11 N3 O5 -","- C17 H11 N3 O5 -","- C68 H44 N12 O20 -","4","2","","Fedyanin, Ivan V.","Control of supramolecular chirality in co-crystals of achiral molecules via stacking interactions and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D2CE00081D","","","1.54178","CuKα","","0.0319","0.0318","","","0.0885","0.0886","","","","","","1.001","","","","has coordinates","273148","2022-02-24","23:38:42",""
"7244518","7.6442","0.0003","8.6092","0.0003","27.0462","0.0009","90","","90","","90","","1779.92","0.11","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H15 N3 O5 -","- C23 H15 N3 O5 -","- C92 H60 N12 O20 -","4","1","","Fedyanin, Ivan V.","Control of supramolecular chirality in co-crystals of achiral molecules via stacking interactions and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D2CE00081D","","","0.71073","MoKα","","0.0516","0.0416","","","0.0962","0.1023","","","","","","0.996","","","","has coordinates","273148","2022-02-24","23:38:42",""
"7244519","13.6099","0.0008","8.6026","0.0005","21.6767","0.0013","90","","90.44","0.003","90","","2537.8","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H18 N6 O10 -","- C30 H18 N6 O10 -","- C120 H72 N24 O40 -","4","1","","Fedyanin, Ivan V.","Control of supramolecular chirality in co-crystals of achiral molecules via stacking interactions and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D2CE00081D","","","1.54178","CuKα","","0.0569","0.0546","","","0.1385","0.1398","","","","","","1.075","","","","has coordinates","273148","2022-02-24","23:38:43",""
"7244520","9.18755","0.000008","13.99638","0.000009","20.528931","0.000011","90","","90","","90","","2639.86","0.003","120","","120","","","","100","","","","","6","P 21 21 21","P 2ac 2ab","19","","sofosbuvir hydrate","","- C11 H15.5 F0.5 N1.5 O5 P0.5 -","- C11 H15.5 F0.5 N1.5 O5 P0.5 -","- C88 H124 F4 N12 O40 P4 -","8","2","","Chatziadi, Argyro; Skořepová, Eliška; Kohout, Martin; Ridvan, Luděk; Šoóš, Miroslav","Exploring the polymorphism of sofosbuvir via mechanochemistry: effect of milling jar geometry and material","CrystEngComm","2022","","","","","10.1039/D1CE01561C","","","1.54184","CuKα","","0.029","0.0287","","0.0747","0.0743","0.0747","","","","","","1.0189","","","","has coordinates","273149","2022-02-24","23:39:38",""
"7244522","32.7746","0.0006","8.1052","0.0001","8.3503","0.0002","90","","95.503","0.002","90","","2207.99","0.07","173","","173.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H22 Br4 F2 N2 Pb -","- C16 H22 Br4 F2 N2 Pb -","- C64 H88 Br16 F8 N8 Pb4 -","4","0.5","","Wang, Yuyin; Su, Bin; Lin, Guoming; Lou, Huiru; Wang, Shouxin; Yue, Cheng-Yang; Lei, Xiaowu","Exploring the Ruddlesden–Popper layered organic–inorganic hybrid semiconducting perovskite for visible-blind ultraviolet photodetection","CrystEngComm","2022","24","12","2258","2263","10.1039/D1CE01431E","","","1.54184","CuKα","","0.0807","0.0796","","","0.1819","0.1855","","","","","","0.996","","","","has coordinates","274975","2022-05-05","20:32:35",""
"7244524","16.8521","0.0004","11.9552","0.0002","26.6656","0.0006","90","","108.107","0.003","90","","5106.3","0.2","293","2","293","2","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C16 H19.67 N3 O4.33 S -","- C16 H19.6667 N3 O4.33333 S -","- C192 H236 N36 O52 S12 -","12","3","","Ji, Xiongtao; Wang, Jingkang; Wang, Ting; Huang, Xin; Li, Xin; Wang, Na; Huang, Yunhai; Li, Rui; Zhao, Bugui; Zhang, Tao; Hao, Hongxun","Understanding the role of solvent in regulating the crystal habit","CrystEngComm","2022","24","12","2226","2240","10.1039/D1CE01486B","","","1.54184","CuKα","","0.0555","0.053","","","0.1478","0.1515","","","","","","1.035","","","","has coordinates","274976","2022-05-05","20:32:43",""
"7244525","8.9313","0.0018","11.627","0.002","15.232","0.003","110.92","0.03","103.93","0.03","80.74","0.03","1429.1","0.6","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H24 Cd N8 O7 -","- C27 H24 Cd N8 O7 -","- C54 H48 Cd2 N16 O14 -","2","1","","Mahmoudi, Ghodrat; Alizadeh, Vali; Castineiras, Alfonso; Akbari Afkhami, Farhad; Mitoraj, Mariusz Paweł; Szczepanik, Dariusz; Konyaeva, Irina A.; Robeyns, Koen; Safin, Damir","Quasi-aromatic Möbius chelates of Cadmium(II) nitrite and/or nitrate.","CrystEngComm","2022","","","","","10.1039/D2CE00046F","","","1.54184","CuKα","","0.0342","0.0336","","","0.0968","0.0975","","","","","","1.062","","","","has coordinates","273182","2022-02-28","23:31:31",""
"7244526","8.942","0.001","25.226","0.003","13.604","0.002","90","","105.54","0.04","90","","2956.5","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 Cd N8 O6.33 -","- C28 H28 Cd N8 O6.329 -","- C112 H112 Cd4 N32 O25.316 -","4","1","","Mahmoudi, Ghodrat; Alizadeh, Vali; Castineiras, Alfonso; Akbari Afkhami, Farhad; Mitoraj, Mariusz Paweł; Szczepanik, Dariusz; Konyaeva, Irina A.; Robeyns, Koen; Safin, Damir","Quasi-aromatic Möbius chelates of Cadmium(II) nitrite and/or nitrate.","CrystEngComm","2022","","","","","10.1039/D2CE00046F","","","0.71073","MoKα","","0.0389","0.0322","","","0.0671","0.07","","","","","","1.067","","","","has coordinates,has disorder","273182","2022-02-28","23:31:31",""
"7244527","9.0978","0.0011","11.7836","0.0014","15.1083","0.0019","112.627","0.006","97.244","0.006","99.811","0.006","1440.1","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H24 Cd N8 O5.43 -","- C27 H24 Cd N8 O5.433 -","- C54 H48 Cd2 N16 O10.866 -","2","1","","Mahmoudi, Ghodrat; Alizadeh, Vali; Castineiras, Alfonso; Akbari Afkhami, Farhad; Mitoraj, Mariusz Paweł; Szczepanik, Dariusz; Konyaeva, Irina A.; Robeyns, Koen; Safin, Damir","Quasi-aromatic Möbius chelates of Cadmium(II) nitrite and/or nitrate.","CrystEngComm","2022","","","","","10.1039/D2CE00046F","","","0.71073","MoKα","","0.0436","0.0307","","","0.0698","0.0747","","","","","","1.049","","","","has coordinates,has disorder","273182","2022-02-28","23:31:31",""
"7244530","12.407","0.01","16.723","0.013","17.478","0.014","90","","102.562","0.014","90","","3540","5","296.15","","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[Co2(btbu)4(H2O)2(SiW12O40)]","","- C32 H52 Co2 N24 O42 Si W12 -","- C32 H52 Co2 N24 O42 Si W12 -","- C64 H104 Co4 N48 O84 Si2 W24 -","2","0.5","","Zhou, Qian; Yao, Jinzhen; Sun, Jing; Li, Xiao; Bao, Siqi; Su, Zhong-Min","N-donor flexible ligands constructed polyoxometalate-based metal-organic frameworks as multifunctional electrocatalyts","CrystEngComm","2022","","","","","10.1039/D2CE00077F","","x-ray","0.71073","MoKα","K-L~3~","0.0829","0.0672","","","0.1322","0.1386","","","","","","1.168","","","","has coordinates,has disorder","273194","2022-03-01","23:36:45",""
"7244531","12.438","0.002","16.716","0.003","17.383","0.003","90","","102.122","0.003","90","","3533.6","1","296.15","","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[Ni2(btbu)4(H2O)2(SiW12O40)]","","- C32 H54 N24 Ni2 O42 Si W12 -","- C32 H54 N24 Ni2 O42 Si W12 -","- C64 H108 N48 Ni4 O84 Si2 W24 -","2","0.5","","Zhou, Qian; Yao, Jinzhen; Sun, Jing; Li, Xiao; Bao, Siqi; Su, Zhong-Min","N-donor flexible ligands constructed polyoxometalate-based metal-organic frameworks as multifunctional electrocatalyts","CrystEngComm","2022","","","","","10.1039/D2CE00077F","","x-ray","0.71073","MoKα","K-L~3~","0.0675","0.0563","","","0.1039","0.1072","","","","","","1.276","","","","has coordinates,has disorder","273194","2022-03-01","23:36:46",""
"7244532","15.1885","0.0002","7.6664","0.0001","22.5682","0.0003","90","","90.818","0.001","90","","2627.6","0.06","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H28 N4 O6 S -","- C27 H27.997 N4 O6 S -","- C108 H111.988 N16 O24 S4 -","4","1","","Ren, Bo-Ying; Dai, Xia-Lin; Chen, Jia-Mei; Lu, Tong-Bu","Two anhydrous forms and one monohydrate of a cocrystal of axitinib and glutaric acid: characterization, property evaluation and phase transition study","CrystEngComm","2022","","","","","10.1039/D1CE01740C","","x-ray","1.54184","CuKα","","0.0623","0.0544","","","0.1461","0.1524","","","","","","1.071","","","","has coordinates,has disorder","273195","2022-03-01","23:37:29",""
"7244533","7.6975","0.0002","12.7075","0.0003","14.7757","0.0004","65.633","0.003","83.024","0.002","77.802","0.002","1285.88","0.07","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C27 H26 N4 O5 S -","- C27 H26 N4 O5 S -","- C54 H52 N8 O10 S2 -","2","1","","Ren, Bo-Ying; Dai, Xia-Lin; Chen, Jia-Mei; Lu, Tong-Bu","Two anhydrous forms and one monohydrate of a cocrystal of axitinib and glutaric acid: characterization, property evaluation and phase transition study","CrystEngComm","2022","","","","","10.1039/D1CE01740C","","","1.54184","CuKα","","0.0659","0.063","","","0.1644","0.1677","","","","","","1.078","","","","has coordinates","273195","2022-03-01","23:37:30",""
"7244564","18.3974","0.0001","18.3974","0.0001","20.6604","0.0002","90","","90","","90","","6992.81","0.09","100","0.1","100","0.1","","","","","","","","5","P 42/m","-P 4c","84","p-sulfonatocalix[4]arene/pillar[4]pyridinum host-guest complex","","","- C52 H72 N4 O30 S4 -","- C52 H44 N4 O30 S4 -","- C208 H176 N16 O120 S16 -","4","0.5","","Kravets, Kateryna; Kravets, Mykola; Butkiewicz, Helena; Kosiorek, Sandra; Sashuk, Volodymyr; Danylyuk, Oksana","Electrostatic co-assembly of pillar[n]pyridiniums and calix[4]arene in aqueous media","CrystEngComm","2022","","","","","10.1039/D2CE00232A","","","1.54184","CuKα","","0.0993","0.0893","","","0.2615","0.2781","","","","","","1.026","","","","has coordinates,has disorder","273291","2022-03-03","23:41:40",""
"7244565","20.925","0.0007","21.5501","0.0005","28.2109","0.0006","102.793","0.002","91.143","0.002","116.562","0.003","10992.4","0.6","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","p-sulfonatocalix[4]arene/pillar[6]pyridinum host-guest complex","","","- C156 H246 N12 O105 S12 -","- C156 H131 N12 O104.901 S12 -","- C312 H262 N24 O209.802 S24 -","2","1","","Kravets, Kateryna; Kravets, Mykola; Butkiewicz, Helena; Kosiorek, Sandra; Sashuk, Volodymyr; Danylyuk, Oksana","Electrostatic co-assembly of pillar[n]pyridiniums and calix[4]arene in aqueous media","CrystEngComm","2022","","","","","10.1039/D2CE00232A","","","1.54184","CuKα","","0.1794","0.1154","","","0.307","0.3759","","","","","","1.159","","","","has coordinates,has disorder","273291","2022-03-03","23:41:41",""
"7244567","44.809","0.004","10.8964","0.0009","25.255","0.002","90","","113.735","0.002","90","","11287.9","1.6","297.8","","297.8","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43 H42 N9 O16 Y2 -","- C43 H42 N9 O16 Y2 -","- C344 H336 N72 O128 Y16 -","8","1","","Hu, Qianlan; Xu, Tong; Gu, Jiaming; Zhang, Lirong; Liu, Yunling","A series of isostructural lanthanide metal-organic frameworks: effective fluorescence sensing for Fe3+, 2,4-DNP and 4-NP","CrystEngComm","2022","","","","","10.1039/D2CE00106C","","","0.71073","MoKα","","0.1466","0.0837","","","0.1975","0.2258","","","","","","1.069","","","","has coordinates","273440","2022-03-04","23:30:38",""
"7244568","7.9798","0.0008","15.7654","0.0016","3.5051","0.0004","90","","100.208","0.01","90","","433.98","0.08","293","2","293","2","","","","","","","","4","C 1 m 1","C -2y","8","","","","- B3 Cd4 O10 Sm -","- B3 Cd4 O10 Sm -","- B6 Cd8 O20 Sm2 -","2","0.5","","Cao, Ming-Yang; Hu, Chun-Li; Chen, Peng-Fei; Wang, Qian; Li, Bing-Xuan; Lin, Yuan; Mao, Jiang-Gao","Cd4REO(BO3)3 (RE = Sm, Eu, Tb): three new cadmium–rare earth oxyborates with both good NLO and luminescence properties","CrystEngComm","2022","","","","","10.1039/D2CE00080F","","","0.71073","MoKα","","0.0301","0.0296","","","0.0731","0.0735","","","","","","1.025","","","","has coordinates","273441","2022-03-04","23:31:19",""
"7244569","7.9549","0.0007","15.7709","0.0014","3.4813","0.0003","90","","100.227","0.009","90","","429.81","0.07","293","2","293","2","","","","","","","","4","C 1 m 1","C -2y","8","","","","- B3 Cd4 O10 Tb -","- B3 Cd4 O10 Tb -","- B6 Cd8 O20 Tb2 -","2","0.5","","Cao, Ming-Yang; Hu, Chun-Li; Chen, Peng-Fei; Wang, Qian; Li, Bing-Xuan; Lin, Yuan; Mao, Jiang-Gao","Cd4REO(BO3)3 (RE = Sm, Eu, Tb): three new cadmium–rare earth oxyborates with both good NLO and luminescence properties","CrystEngComm","2022","","","","","10.1039/D2CE00080F","","","0.71073","MoKα","","0.025","0.0244","","","0.0601","0.0608","","","","","","1.091","","","","has coordinates","273441","2022-03-04","23:31:20",""
"7244570","7.9673","0.0009","15.7619","0.0017","3.4932","0.0004","90","","100.186","0.011","90","","431.76","0.08","293","2","293","2","","","","","","","","4","C 1 m 1","C -2y","8","","","","- B3 Cd4 Eu O10 -","- B3 Cd4 Eu O10 -","- B6 Cd8 Eu2 O20 -","2","0.5","","Cao, Ming-Yang; Hu, Chun-Li; Chen, Peng-Fei; Wang, Qian; Li, Bing-Xuan; Lin, Yuan; Mao, Jiang-Gao","Cd4REO(BO3)3 (RE = Sm, Eu, Tb): three new cadmium–rare earth oxyborates with both good NLO and luminescence properties","CrystEngComm","2022","","","","","10.1039/D2CE00080F","","","0.71073","MoKα","","0.0297","0.0293","","","0.0756","0.0758","","","","","","1.064","","","","has coordinates","273441","2022-03-04","23:31:20",""
"7244571","5.509","0.006","9.973","0.01","22.6","0.03","102.25","0.05","91.01","0.06","94.03","0.03","1210","2","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","2-amino 4-methylpyridinium Glutaric acid (C11 H16 N2 O4)","","- C11 H16 N2 O4 -","- C11 H16 N2 O4 -","- C44 H64 N8 O16 -","4","2","","D, Joseph Daniel; P., Karuppasamy; Phan, Vuong Quoc; Kim, Hongjoo","Synthesis, crystal growth, structural and physico-chemical properties of an Organic single crystal (C11H16N2O4) for fast scintillation and NLO applications","CrystEngComm","2022","","","","","10.1039/D1CE01674A","","","0.71073","MoKα","","0.1409","0.0827","","","0.2","0.2272","","","","","","1.056","","","","has coordinates","273442","2022-03-04","23:31:50",""
"7244572","9.7596","0.0009","6.3491","0.0006","18.2303","0.0018","90","","102.17","0.003","90","","1104.25","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H11 N3 O5 -","- C9 H11 N3 O5 -","- C36 H44 N12 O20 -","4","1","","Zhang, Jinyan; Liang, Zhihan; Yang, Fei; JI, Shaochang; Lan, Ping; Liao, Ye-Xin","Unique sandwich structure of pyrazinamide-methylmalonic acid cocrystal：ternary phase diagrams, characterization and property evaluation","CrystEngComm","2022","","","","","10.1039/D1CE01609A","","","0.71073","MoKα","","0.0974","0.0508","","","0.1047","0.1209","","","","","","1.016","","","","has coordinates","273464","2022-03-05","23:35:08",""
"7244573","7.6344","0.0003","6.3521","0.0003","28.5161","0.0012","90","","90.703","0.001","90","","1382.77","0.1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 F N3 O6 -","- C12 H14 F N3 O6 -","- C48 H56 F4 N12 O24 -","4","1","","Bu, Fan-Zhi; Yu, Yueming; Shen, Yu-Li; Liu, Lu; Yan, Cui-Wei; Wu, Zhi-Yong; Li, Yan-Tuan","Cocrystallization-driven self-assembly with vanillic acid offers a new opportunity for surmounting fast and excessive absorption issues of antifungal drug 5-fluorocytosine: a combined theoretical and experimental research","CrystEngComm","2022","","","","","10.1039/D2CE00114D","","","0.71073","MoKα","","0.0606","0.0392","","","0.0944","0.1037","","","","","","1.069","","","","has coordinates","273511","2022-03-07","23:33:02",""
"7244575","16.071","0.003","8.368","0.0017","23.949","0.005","90","","102.49","0.03","90","","3144.5","1.1","220","2","220","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H14 N2 -","- C22 H14 N2 -","- C176 H112 N16 -","8","1","","Gayathri, Parthasarathy; Ravi, Sasikala; Karthikeyan, Subramanian; Pannippara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Pyridine Nitrogen Position Controlled Molecular Packing and Stimuli-responsive Solid-State Fluorescence Switching: Supramolecular Complexation Facilitated Turn-on Fluorescence","CrystEngComm","2022","","","","","10.1039/D1CE01688A","","","0.63","synchrotron","","0.0639","0.0599","","","0.1753","0.1804","","","","","","1.116","","","","has coordinates","273537","2022-03-08","23:31:37",""
"7244576","10.306","0.002","18.839","0.004","8.912","0.0018","90","","112.03","0.03","90","","1604","0.7","220","2","220","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 N2 -","- C22 H14 N2 -","- C88 H56 N8 -","4","1","","Gayathri, Parthasarathy; Ravi, Sasikala; Karthikeyan, Subramanian; Pannippara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Pyridine Nitrogen Position Controlled Molecular Packing and Stimuli-responsive Solid-State Fluorescence Switching: Supramolecular Complexation Facilitated Turn-on Fluorescence","CrystEngComm","2022","","","","","10.1039/D1CE01688A","","","0.63","synchrotron","","0.0537","0.0488","","","0.1437","0.1473","","","","","","1.103","","","","has coordinates","273537","2022-03-08","23:31:38",""
"7244577","6.739","0.0014","11.596","0.002","15.268","0.003","103.81","0.03","92.11","0.03","95.34","0.03","1151.5","0.4","220","2","220","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H22 N2 O3 S -","- C29 H22 N2 O3 S -","- C58 H44 N4 O6 S2 -","2","1","","Gayathri, Parthasarathy; Ravi, Sasikala; Karthikeyan, Subramanian; Pannippara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Pyridine Nitrogen Position Controlled Molecular Packing and Stimuli-responsive Solid-State Fluorescence Switching: Supramolecular Complexation Facilitated Turn-on Fluorescence","CrystEngComm","2022","","","","","10.1039/D1CE01688A","","","0.63","synchrotron","","0.0561","0.0447","","","0.1271","0.1328","","","","","","1.072","","","","has coordinates","273537","2022-03-08","23:31:38",""
"7244578","14.045","0.003","12.833","0.003","17.198","0.003","90","","90","","90","","3099.8","1.1","220","2","220","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H14 N2 -","- C22 H14 N2 -","- C176 H112 N16 -","8","1","","Gayathri, Parthasarathy; Ravi, Sasikala; Karthikeyan, Subramanian; Pannippara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Pyridine Nitrogen Position Controlled Molecular Packing and Stimuli-responsive Solid-State Fluorescence Switching: Supramolecular Complexation Facilitated Turn-on Fluorescence","CrystEngComm","2022","","","","","10.1039/D1CE01688A","","","0.63","synchrotron","","0.0893","0.0507","","","0.1258","0.1366","","","","","","0.904","","","","has coordinates","273537","2022-03-08","23:31:38",""
"7244584","21.6663","0.0005","13.0707","0.0002","18.7948","0.0004","90","","102.54","0.002","90","","5195.6","0.19","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H56.73 Fe2 N12 O2 S14 Sn6 -","- C18 H56.7347 Fe2 N12 O2 S14 Sn6 -","- C72 H226.939 Fe8 N48 O8 S56 Sn24 -","4","1","","Liu, Kai-Li; Luo, Ming-Bu; Zhou, Xuechou; Lin, Qipu","Cationic complex directed thiostannate layers with excellent proton conduction and photocatalysis properties","CrystEngComm","2022","","","","","10.1039/D2CE00043A","","x-ray","0.71073","MoKα","","0.0538","0.034","","","0.067","0.0721","","","","","","0.986","","","","has coordinates","273624","2022-03-10","23:46:03",""
"7244585","21.4593","0.0005","12.9922","0.0004","18.7194","0.0006","90","","102.264","0.003","90","","5099.9","0.3","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H58 N12 O2 S14 Sn6 Zn2 -","- C18 H58 N12 O2 S14 Sn6 Zn2 -","- C72 H232 N48 O8 S56 Sn24 Zn8 -","4","1","","Liu, Kai-Li; Luo, Ming-Bu; Zhou, Xuechou; Lin, Qipu","Cationic complex directed thiostannate layers with excellent proton conduction and photocatalysis properties","CrystEngComm","2022","","","","","10.1039/D2CE00043A","","x-ray","0.71073","MoKα","","0.0491","0.0428","","","0.0927","0.0953","","","","","","1.135","","","","has coordinates","273624","2022-03-10","23:46:04",""
"7244586","21.7391","0.0006","13.0228","0.0003","18.5826","0.0006","90","","103.74","0.003","90","","5110.3","0.3","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H58 Mn2 N12 O2 S14 Sn6 -","- C18 H58 Mn2 N12 O2 S14 Sn6 -","- C72 H232 Mn8 N48 O8 S56 Sn24 -","4","1","","Liu, Kai-Li; Luo, Ming-Bu; Zhou, Xuechou; Lin, Qipu","Cationic complex directed thiostannate layers with excellent proton conduction and photocatalysis properties","CrystEngComm","2022","","","","","10.1039/D2CE00043A","","x-ray","1.3405","GaKα","","0.047","0.0402","","","0.1014","0.1068","","","","","","1.061","","","","has coordinates","273624","2022-03-10","23:46:04",""
"7244587","3.897","0.003","12.568","0.006","9.03","0.004","90","","97.33","0.02","90","","438.7","0.4","298","2","298","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C6 H4 Br2 Cu N2 S -","- C6 H4 Br2 Cu N2 S -","- C12 H8 Br4 Cu2 N4 S2 -","2","0.5","","Parisi, Emmanuele; CARELLA, Antonio; Borbone, Fabio; Gentile, Francesco Silvio; Centore, Roberto; Chiarella, Fabio","Effect of chalcogen bond on the packing and coordination geometry in hybrid organic-inorganic Cu(II) networks.","CrystEngComm","2022","","","","","10.1039/D2CE00069E","","x-ray","0.71073","MoKα","","0.0624","0.0563","","","0.1552","0.1582","","","","","","1.257","","","","has coordinates","273625","2022-03-10","23:47:11",""
"7244588","3.677","0.0015","12.682","0.003","8.707","0.002","90","","98.51","0.02","90","","401.6","0.2","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C6 H4 Cl2 Cu N2 Se -","- C6 H4 Cl2 Cu N2 Se -","- C12 H8 Cl4 Cu2 N4 Se2 -","2","0.5","","Parisi, Emmanuele; CARELLA, Antonio; Borbone, Fabio; Gentile, Francesco Silvio; Centore, Roberto; Chiarella, Fabio","Effect of chalcogen bond on the packing and coordination geometry in hybrid organic-inorganic Cu(II) networks.","CrystEngComm","2022","","","","","10.1039/D2CE00069E","","x-ray","0.71073","MoKα","","0.087","0.057","","","0.1333","0.147","","","","","","1.052","","","","has coordinates","273625","2022-03-10","23:47:12",""
"7244589","3.713","0.003","12.553","0.006","8.767","0.004","90","","97.73","0.02","90","","404.9","0.4","298","2","298","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C6 H4 Cl2 Cu N2 S -","- C6 H4 Cl2 Cu N2 S -","- C12 H8 Cl4 Cu2 N4 S2 -","2","0.5","","Parisi, Emmanuele; CARELLA, Antonio; Borbone, Fabio; Gentile, Francesco Silvio; Centore, Roberto; Chiarella, Fabio","Effect of chalcogen bond on the packing and coordination geometry in hybrid organic-inorganic Cu(II) networks.","CrystEngComm","2022","","","","","10.1039/D2CE00069E","","x-ray","0.71073","MoKα","","0.0648","0.0445","","","0.0985","0.1071","","","","","","1.077","","","","has coordinates","273625","2022-03-10","23:47:12",""
"7244590","8.487","0.001","9.587","0.0012","10.319","0.0008","94.514","0.01","109.679","0.009","102.793","0.011","760.13","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H4 Br Cu0.5 N2 Se -","- C6 H4 Br Cu0.5 N2 Se -","- C24 H16 Br4 Cu2 N8 Se4 -","4","2","","Parisi, Emmanuele; CARELLA, Antonio; Borbone, Fabio; Gentile, Francesco Silvio; Centore, Roberto; Chiarella, Fabio","Effect of chalcogen bond on the packing and coordination geometry in hybrid organic-inorganic Cu(II) networks.","CrystEngComm","2022","","","","","10.1039/D2CE00069E","","x-ray","0.71073","MoKα","","0.0735","0.052","","","0.1435","0.1529","","","","","","1.135","","","","has coordinates","273625","2022-03-10","23:47:12",""
"7244597","16.6748","0.0018","14.1341","0.0016","28.845","0.003","90","","89.974","0.002","90","","6798.3","1.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","{[Co(btc)(DMF)2] . 2/3 DMF}n","","- C51 H65 Co3 N8 O26 -","- C45 H51 Co3 N6 O24 -","- C180 H204 Co12 N24 O96 -","4","1","","Zacharias, Savannah C.; Ramon, Gaelle; Bourne, Susan A.","Solvatochromism and the effect of solvent on properties in a two-dimensional coordination polymer of cobalt-trimesate","CrystEngComm","2022","","","","","10.1039/D2CE00039C","","","0.71073","MoKα","","0.1191","0.0771","","","0.1941","0.2162","","","","","","1.05","","","","has coordinates","273707","2022-03-15","23:41:43",""
"7244615","15.0645","0.0006","15.3364","0.0006","17.7822","0.0007","90.076","0.001","113.74","0.001","105.522","0.001","3595.7","0.2","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C56 H88 Cr3 Cu8 Mo18 N24 O94 -","- C56 H88 Cr3 Cu8 Mo18 N24 O94 -","- C56 H88 Cr3 Cu8 Mo18 N24 O94 -","1","0.5","","Zhang, Jing-Yuan; Zhang, Yu-Chen; Wang, Xiu-Li; Chang, Zhi-Han; Zhang, Zhong; Lin, Hong-Yan; Cui, Zi-Wei","Polyoxometalate-based CuII/CoII complexes tuned using various metal–pyrazole loops: design, diverse architectures and catalytic activity toward the oxidation of thioether derivatives","CrystEngComm","2022","","","","","10.1039/D2CE00074A","","x-ray","0.71073","MoKα","K-L~3~","0.0584","0.0366","","","0.0731","0.0811","","","","","","0.979","","","","has coordinates","273745","2022-03-16","23:44:28",""
"7244616","7.7037","0.0003","12.7537","0.0005","13.9504","0.0006","86.173","0.001","85.566","0.001","83.167","0.001","1354.53","0.09","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C28 H46 Co3 Mo6 N12 O34 Te -","- C28 H46 Co3 Mo6 N12 O34 Te -","- C28 H46 Co3 Mo6 N12 O34 Te -","1","0.5","","Zhang, Jing-Yuan; Zhang, Yu-Chen; Wang, Xiu-Li; Chang, Zhi-Han; Zhang, Zhong; Lin, Hong-Yan; Cui, Zi-Wei","Polyoxometalate-based CuII/CoII complexes tuned using various metal–pyrazole loops: design, diverse architectures and catalytic activity toward the oxidation of thioether derivatives","CrystEngComm","2022","","","","","10.1039/D2CE00074A","","x-ray","0.71073","MoKα","K-L~3~","0.0463","0.0321","","","0.0657","0.0717","","","","","","1.022","","","","has coordinates","273745","2022-03-16","23:44:29",""
"7244617","9.7346","0.0004","16.2688","0.0007","17.667","0.0008","90","","103.479","0.001","90","","2720.9","0.2","273.15","","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 Co Mo4 N6 O16 -","- C14 H18 Co Mo4 N6 O16 -","- C56 H72 Co4 Mo16 N24 O64 -","4","1","","Zhang, Jing-Yuan; Zhang, Yu-Chen; Wang, Xiu-Li; Chang, Zhi-Han; Zhang, Zhong; Lin, Hong-Yan; Cui, Zi-Wei","Polyoxometalate-based CuII/CoII complexes tuned using various metal–pyrazole loops: design, diverse architectures and catalytic activity toward the oxidation of thioether derivatives","CrystEngComm","2022","","","","","10.1039/D2CE00074A","","x-ray","0.71073","MoKα","K-L~3~","0.044","0.0341","","","0.0692","0.0726","","","","","","1.096","","","","has coordinates","273745","2022-03-16","23:44:29",""
"7244618","8.0458","0.0001","10.7531","0.0002","11.7107","0.0002","69.684","0.001","87.113","0.001","76.21","0.001","922.18","0.03","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H7 Cl Cu2 O9 -","- C15 H7 Cl Cu2 O9 -","- C30 H14 Cl2 Cu4 O18 -","2","1","","Si, Chang-Dai; Zhang, Jianbin; Pan, Feng-Feng; Wang, Peng; Liao, Tian-Lu; Zheng, Wan-He; Yuan, Kun; Liu, Jia-Cheng","Zn/Cu Complexes Constructed through Selective in Situ Br−Cl Exchange: Synthesis, Structures, Properties, and DFT Insights into the Cu-Catalyzed Mechanism","CrystEngComm","2022","","","","","10.1039/D2CE00128D","","","0.71073","MoKα","","0.0334","0.0288","","","0.0813","0.0835","","","","","","1.098","","","","has coordinates","273746","2022-03-16","23:45:57",""
"7244619","10.4588","0.0004","11.5667","0.0003","24.5591","0.0013","86.973","0.003","89.332","0.004","80.888","0.003","2929.4","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H44 Br2 N6 O20 Zn4 -","- C60 H44 Br2 N6 O20 Zn4 -","- C120 H88 Br4 N12 O40 Zn8 -","2","1","","Si, Chang-Dai; Zhang, Jianbin; Pan, Feng-Feng; Wang, Peng; Liao, Tian-Lu; Zheng, Wan-He; Yuan, Kun; Liu, Jia-Cheng","Zn/Cu Complexes Constructed through Selective in Situ Br−Cl Exchange: Synthesis, Structures, Properties, and DFT Insights into the Cu-Catalyzed Mechanism","CrystEngComm","2022","","","","","10.1039/D2CE00128D","","","0.71073","MoKα","","0.1067","0.0709","","","0.1696","0.1969","","","","","","1.028","","","","has coordinates","273746","2022-03-16","23:45:58",""
"7244620","14.2599","0.0005","10.0971","0.0004","17.8998","0.0006","90","","103.077","0.001","90","","2510.44","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H25 Cd N3 O6 -","- C27 H25 Cd N3 O6 -","- C108 H100 Cd4 N12 O24 -","4","1","","Ejarque, Daniel; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Influence of a series of pyridine ligands on the structure and photophysical properties of Cd(ii) complexes","CrystEngComm","2022","","","","","10.1039/D1CE01584B","","","0.71073","MoKα","","0.0387","0.0262","","","0.053","0.0626","","","","","","1.101","","","","has coordinates","273747","2022-03-16","23:47:00",""
"7244621","11.8826","0.0007","13.1721","0.0009","13.519","0.001","78.902","0.003","88.255","0.003","83.346","0.002","2062.3","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H45 Cd N7 O8 -","- C43 H45 Cd N7 O8 -","- C86 H90 Cd2 N14 O16 -","2","1","","Ejarque, Daniel; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Influence of a series of pyridine ligands on the structure and photophysical properties of Cd(ii) complexes","CrystEngComm","2022","","","","","10.1039/D1CE01584B","","","0.71073","MoKα","","0.0518","0.04","","","0.1002","0.1109","","","","","","1.055","","","","has coordinates,has disorder","273747","2022-03-16","23:47:00",""
"7244622","15.1674","0.0004","16.9696","0.0004","15.2451","0.0004","90","","98.59","0.001","90","","3879.84","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H46 Cd N4 O9 -","- C40 H46 Cd N4 O9 -","- C160 H184 Cd4 N16 O36 -","4","1","","Ejarque, Daniel; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Influence of a series of pyridine ligands on the structure and photophysical properties of Cd(ii) complexes","CrystEngComm","2022","","","","","10.1039/D1CE01584B","","","0.71073","MoKα","","0.0479","0.0336","","","0.0726","0.0828","","","","","","1.063","","","","has coordinates","273747","2022-03-16","23:47:00",""
"7244623","8.5444","0.0003","22.0061","0.0008","11.1259","0.0004","90","","98.905","0.001","90","","2066.77","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H46 Cd N4 O10 -","- C44 H46 Cd N4 O10 -","- C88 H92 Cd2 N8 O20 -","2","0.5","","Ejarque, Daniel; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Influence of a series of pyridine ligands on the structure and photophysical properties of Cd(ii) complexes","CrystEngComm","2022","","","","","10.1039/D1CE01584B","","","0.71073","MoKα","","0.0285","0.0232","","","0.0566","0.0614","","","","","","1.054","","","","has coordinates","273747","2022-03-16","23:47:00",""
"7244624","9.1064","0.0007","12.4497","0.001","14.1999","0.0012","101.718","0.003","106.897","0.003","90.206","0.003","1504.9","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H64 Cd2 N8 O14 -","- C66 H64 Cd2 N8 O14 -","- C66 H64 Cd2 N8 O14 -","1","0.5","","Ejarque, Daniel; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Influence of a series of pyridine ligands on the structure and photophysical properties of Cd(ii) complexes","CrystEngComm","2022","","","","","10.1039/D1CE01584B","","","0.71073","MoKα","","0.0391","0.0315","","","0.075","0.0803","","","","","","1.06","","","","has coordinates,has disorder","273747","2022-03-16","23:47:00",""
"7244629","12.7882","0.001","13.2551","0.001","14.4372","0.0011","67.94","0.002","79.147","0.003","69.028","0.003","2113.7","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","bis[Diaqua(/u-/k^2,1^-3,5-dinitrobenzoate)bis(/u^2^-/k^1,1^-3,5-dinitrobenzoate))cobalt(II)]cobalt(II) acetone tetrasolvate","","- C66 H74 Co3 N12 O48 -","- C66 H74 Co3 N12 O48 -","- C66 H74 Co3 N12 O48 -","1","0.5","","Fonseca, Daniela; Perez, Adres Felipe; Cobo Domingo, Justo; Zapata Rivera, Jhon Enrique; Hurtado Belalcazar, John; Macías, Mario A.","Influence of the Lewis basicity hardness of crystallization solvents on the coordination sphere of the complex [Co(3,5-dinitrobenzoate-O,O’)2]: Crystallographic and Theoretical Analysis","CrystEngComm","2022","","","","","10.1039/D2CE00177B","","","0.71073","MoKα","","0.0988","0.0565","","","0.1224","0.1641","","","","","","1.136","","","","has coordinates","273758","2022-03-17","23:36:59",""
"7244630","10.3871","0.0009","5.2909","0.0004","22.6353","0.0017","90","","91.788","0.003","90","","1243.36","0.17","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","diaquabis(3,5-dinitrobenzoato)-bis[(methanesulfinyl)methane]-cobalt(II)","","- C18 H22 Co N4 O16 S2 -","- C18 H22 Co N4 O16 S2 -","- C36 H44 Co2 N8 O32 S4 -","2","0.5","","Fonseca, Daniela; Perez, Adres Felipe; Cobo Domingo, Justo; Zapata Rivera, Jhon Enrique; Hurtado Belalcazar, John; Macías, Mario A.","Influence of the Lewis basicity hardness of crystallization solvents on the coordination sphere of the complex [Co(3,5-dinitrobenzoate-O,O’)2]: Crystallographic and Theoretical Analysis","CrystEngComm","2022","","","","","10.1039/D2CE00177B","","","0.71073","MoKα","","0.0314","0.0251","","","0.0605","0.0659","","","","","","1.096","","","","has coordinates","273758","2022-03-17","23:37:00",""
"7244631","11.2634","0.0008","12.6777","0.0009","25.2927","0.0018","99.217","0.003","102.517","0.003","100.46","0.003","3391.5","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Cocrystal (1:1:3) bis[(acetonitrile-N)aqua-/u-/k^2,1^-3,5-dinitrobenzoatobis(/u-/k^1,1/'^-3,5-dinitrobenzoato))Cobalto(II)]Cobalto(II) : bis[bis(acetonitrile-N)-/u-/k^2,1^-3,5-dinitrobenzoatobis(/u^2^-/k^1,1/'^-3,5-dinitrobenzoato))Cobalto(II)]Cobalto(II) : acetonitrile","","- C54 H38 Co3 N18 O37 -","- C54 H38 Co3 N18 O37 -","- C108 H76 Co6 N36 O74 -","2","1","","Fonseca, Daniela; Perez, Adres Felipe; Cobo Domingo, Justo; Zapata Rivera, Jhon Enrique; Hurtado Belalcazar, John; Macías, Mario A.","Influence of the Lewis basicity hardness of crystallization solvents on the coordination sphere of the complex [Co(3,5-dinitrobenzoate-O,O’)2]: Crystallographic and Theoretical Analysis","CrystEngComm","2022","","","","","10.1039/D2CE00177B","","","0.71073","MoKα","","0.0554","0.0356","","","0.0861","0.1016","","","","","","1.164","","","","has coordinates","273758","2022-03-17","23:37:00",""
"7244632","14.7092","0.0004","22.2121","0.0006","30.2861","0.0008","90","","90","","90","","9895.1","0.5","296.15","","296.15","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C27 H66 Cu Mo24 N12 O90 P2 -","- C27 H66 Cu Mo24 N12 O90 P2 -","- C108 H264 Cu4 Mo96 N48 O360 P8 -","4","1","","Ma, Shufang; Ying, Jun; Zhang, Yanping; Tian, Aixiang","Four POM-based complexes modified by multi-nuclear clusters: structures, photocatalytic, supercapacitor and chromogenic properties","CrystEngComm","2022","","","","","10.1039/D2CE00255H","","","0.71073","MoKα","","0.0554","0.0366","","","0.0834","0.0938","","","","","","1.052","","","","has coordinates","273759","2022-03-17","23:39:49",""
"7244633","11.2067","0.001","11.2692","0.001","12.4783","0.0011","65.382","0.001","81.493","0.002","62.926","0.001","1274","0.2","273.15","","273.15","","","","","","","","","7","P -1","-P 1","2","","","","- C12 H19 Cl Cu2 Mo4 N6 O14 -","- C12 H19 Cl Cu2 Mo4 N6 O14 -","- C24 H38 Cl2 Cu4 Mo8 N12 O28 -","2","1","","Ma, Shufang; Ying, Jun; Zhang, Yanping; Tian, Aixiang","Four POM-based complexes modified by multi-nuclear clusters: structures, photocatalytic, supercapacitor and chromogenic properties","CrystEngComm","2022","","","","","10.1039/D2CE00255H","","","0.71073","MoKα","","0.0311","0.0226","","","0.0479","0.0511","","","","","","1.02","","","","has coordinates","273759","2022-03-17","23:39:49",""
"7244634","12.4509","0.0017","16.733","0.002","19.224","0.003","98.809","0.002","102.976","0.002","93.813","0.002","3835.6","0.9","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H106 Co3 Mo26 N24 O92 -","- C54 H106 Co3 Mo26 N24 O92 -","- C54 H106 Co3 Mo26 N24 O92 -","1","0.5","","Ma, Shufang; Ying, Jun; Zhang, Yanping; Tian, Aixiang","Four POM-based complexes modified by multi-nuclear clusters: structures, photocatalytic, supercapacitor and chromogenic properties","CrystEngComm","2022","","","","","10.1039/D2CE00255H","","","0.71073","MoKα","","0.0705","0.0531","","","0.132","0.1477","","","","","","1.024","","","","has coordinates","273759","2022-03-17","23:39:49",""
"7244635","19.1589","0.0006","25.1934","0.0008","21.8895","0.0007","90","","94.505","0.001","90","","10532.9","0.6","296.15","","296.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C54 H104 Cl2 Cu3 Mo48 N24 O166 P4 -","- C54 H104 Cl2 Cu3 Mo48 N24 O166 P4 -","- C108 H208 Cl4 Cu6 Mo96 N48 O332 P8 -","2","0.5","","Ma, Shufang; Ying, Jun; Zhang, Yanping; Tian, Aixiang","Four POM-based complexes modified by multi-nuclear clusters: structures, photocatalytic, supercapacitor and chromogenic properties","CrystEngComm","2022","","","","","10.1039/D2CE00255H","","","0.71073","MoKα","","0.1216","0.0619","","","0.1126","0.1301","","","","","","1.047","","","","has coordinates","273759","2022-03-17","23:39:50",""
"7244636","11.8013","0.0002","6.8401","0.0002","14.1778","0.0003","90","","91.9732","0.0011","90","","1143.78","0.05","90","2","90","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C14 H13 N O2 -","- C14 H13 N O2 -","- C56 H52 N4 O8 -","4","1","","Tao, Yang; Liu, Xiaoting; Zhoujin, Yunping; Zhou, Panpan; Parkin, Sean R.; Li, Tonglei; Guo, Ju; Yu, Faquan; Long, Sihui","Conformational Flexibility and Substitution Pattern Lead to Polymorphism of 3-Methyl-2-(phenylamino)benzoic acid","CrystEngComm","2022","","","","","10.1039/D2CE00126H","","","0.71073","MoKα","","0.0607","0.0433","","","0.1193","0.139","","","","","","1.097","","","","has coordinates","273760","2022-03-17","23:41:24",""
"7244637","15.0335","0.0012","6.9116","0.0005","13.0522","0.001","90","","110.715","0.009","90","","1268.52","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C60 H60 N4 O8 -","4","1","","Tao, Yang; Liu, Xiaoting; Zhoujin, Yunping; Zhou, Panpan; Parkin, Sean R.; Li, Tonglei; Guo, Ju; Yu, Faquan; Long, Sihui","Conformational Flexibility and Substitution Pattern Lead to Polymorphism of 3-Methyl-2-(phenylamino)benzoic acid","CrystEngComm","2022","","","","","10.1039/D2CE00126H","","x-ray","1.54184","CuKα","","0.0797","0.0734","","","0.2059","0.2154","","","","","","1.073","","","","has coordinates","273760","2022-03-17","23:41:25",""
"7244638","5.0796","0.0003","10.1603","0.001","26.629","0.0019","90","","91.589","0.006","90","","1373.8","0.19","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N O2 -","- C16 H17 N O2 -","- C64 H68 N4 O8 -","4","1","","Tao, Yang; Liu, Xiaoting; Zhoujin, Yunping; Zhou, Panpan; Parkin, Sean R.; Li, Tonglei; Guo, Ju; Yu, Faquan; Long, Sihui","Conformational Flexibility and Substitution Pattern Lead to Polymorphism of 3-Methyl-2-(phenylamino)benzoic acid","CrystEngComm","2022","","","","","10.1039/D2CE00126H","","x-ray","1.54184","CuKα","","0.0976","0.0717","","","0.1822","0.2009","","","","","","1.088","","","","has coordinates","273760","2022-03-17","23:41:25",""
"7244639","9.128","0.003","5.9193","0.0019","23.562","0.008","90","","92.81","0.004","90","","1271.6","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C60 H60 N4 O8 -","4","1","","Tao, Yang; Liu, Xiaoting; Zhoujin, Yunping; Zhou, Panpan; Parkin, Sean R.; Li, Tonglei; Guo, Ju; Yu, Faquan; Long, Sihui","Conformational Flexibility and Substitution Pattern Lead to Polymorphism of 3-Methyl-2-(phenylamino)benzoic acid","CrystEngComm","2022","","","","","10.1039/D2CE00126H","","","0.71073","MoKα","","0.0685","0.0498","","","0.1371","0.1565","","","","","","1.061","","","","has coordinates","273760","2022-03-17","23:41:25",""
"7244640","11.2982","0.0002","15.8116","0.0003","7.97734","0.00018","90","","106.196","0.002","90","","1368.54","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N O2 -","- C16 H17 N O2 -","- C64 H68 N4 O8 -","4","1","","Tao, Yang; Liu, Xiaoting; Zhoujin, Yunping; Zhou, Panpan; Parkin, Sean R.; Li, Tonglei; Guo, Ju; Yu, Faquan; Long, Sihui","Conformational Flexibility and Substitution Pattern Lead to Polymorphism of 3-Methyl-2-(phenylamino)benzoic acid","CrystEngComm","2022","","","","","10.1039/D2CE00126H","","x-ray","1.54184","CuKα","","0.051","0.0481","","","0.1439","0.1466","","","","","","1.097","","","","has coordinates","273760","2022-03-17","23:41:25",""
"7244641","26.6725","0.0002","19.708","0.0001","10.3729","0.0001","90","","90","","90","","5452.64","0.07","293","2","293","2","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- C32 H34 N2 O4 -","- C32 H34 N2 O4 -","- C256 H272 N16 O32 -","8","1","","Tao, Yang; Liu, Xiaoting; Zhoujin, Yunping; Zhou, Panpan; Parkin, Sean R.; Li, Tonglei; Guo, Ju; Yu, Faquan; Long, Sihui","Conformational Flexibility and Substitution Pattern Lead to Polymorphism of 3-Methyl-2-(phenylamino)benzoic acid","CrystEngComm","2022","","","","","10.1039/D2CE00126H","","x-ray","1.54184","CuKα","","0.0333","0.0328","","","0.1063","0.1076","","","","","","0.998","","","","has coordinates","273760","2022-03-17","23:41:26",""
"7244642","12.8712","0.0011","15.0167","0.0014","10.342","0.0011","90","","112.057","0.011","90","","1852.6","0.3","300.16","0.1","300.16","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 N O3 S -","- C18 H23 N O3 S -","- C72 H92 N4 O12 S4 -","4","1","","Tao, Yang; Liu, Xiaoting; Zhoujin, Yunping; Zhou, Panpan; Parkin, Sean R.; Li, Tonglei; Guo, Ju; Yu, Faquan; Long, Sihui","Conformational Flexibility and Substitution Pattern Lead to Polymorphism of 3-Methyl-2-(phenylamino)benzoic acid","CrystEngComm","2022","","","","","10.1039/D2CE00126H","","x-ray","1.54184","CuKα","","0.0921","0.0673","","","0.2009","0.2317","","","","","","1.045","","","","has coordinates,has disorder","273760","2022-03-17","23:41:26",""
"7244643","15.00116","0.00017","7.02328","0.00008","12.03785","0.00013","90","","92.2525","0.001","90","","1267.3","0.02","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C60 H60 N4 O8 -","4","1","","Tao, Yang; Liu, Xiaoting; Zhoujin, Yunping; Zhou, Panpan; Parkin, Sean R.; Li, Tonglei; Guo, Ju; Yu, Faquan; Long, Sihui","Conformational Flexibility and Substitution Pattern Lead to Polymorphism of 3-Methyl-2-(phenylamino)benzoic acid","CrystEngComm","2022","","","","","10.1039/D2CE00126H","","","1.54184","CuKα","","0.053","0.0509","","","0.152","0.1539","","","","","","1.072","","","","has coordinates","273760","2022-03-17","23:41:26",""
"7244649","18.5387","0.0001","18.5387","0.0001","16.4112","0.0001","90","","90","","90","","5640.26","0.06","100","2","100","2","","","","","","","","5","P 4/m","-P 4","83","","","","- C60 H34 Cd3 N6 O9 -","- C60 H34 Cd3 N6 O9 -","- C120 H68 Cd6 N12 O18 -","2","0.25","","Tay, Hui Min; Goddard, Emily; Hua, Carol","Three-dimensional Cd(II) Porphyrin Metal-Organic Frameworks for the Colorimetric Sensing of Electron Donors","CrystEngComm","2022","","","","","10.1039/D2CE00103A","","","1.54178","CuKα","","0.0863","0.0849","","","0.2285","0.2315","","","","","","1.111","","","","has coordinates","273818","2022-03-18","23:36:43",""
"7244650","18.5387","0.0001","18.5387","0.0001","16.4112","0.0001","90","","90","","90","","5640.26","0.06","100","2","100","2","","","","","","","","6","P 4/m","-P 4","83","","","","- C60 H34 Cd2 N6 O9 Zn -","- C60 H34 Cd2 N6 O9 Zn -","- C120 H68 Cd4 N12 O18 Zn2 -","2","0.25","","Tay, Hui Min; Goddard, Emily; Hua, Carol","Three-dimensional Cd(II) Porphyrin Metal-Organic Frameworks for the Colorimetric Sensing of Electron Donors","CrystEngComm","2022","","","","","10.1039/D2CE00103A","","","1.54178","CuKα","","0.0612","0.0608","","","0.1793","0.1799","","","","","","1.174","","","","has coordinates","273818","2022-03-18","23:36:46",""
"7244651","18.20082","0.00011","18.20082","0.00011","16.58899","0.00013","90","","90","","90","","5495.43","0.06","100","2","100","2","","","","","","","","5","P 4/m","-P 4","83","","","","- C58 H32 Cd3 N8 O9 -","- C58 H32 Cd3 N8 O9 -","- C116 H64 Cd6 N16 O18 -","2","0.25","","Tay, Hui Min; Goddard, Emily; Hua, Carol","Three-dimensional Cd(II) Porphyrin Metal-Organic Frameworks for the Colorimetric Sensing of Electron Donors","CrystEngComm","2022","","","","","10.1039/D2CE00103A","","","1.54178","CuKα","","0.0842","0.0813","","","0.214","0.2185","","","","","","1.133","","","","has coordinates","273818","2022-03-18","23:36:46",""
"7244652","19.6298","0.0012","20.2011","0.0012","20.3398","0.0011","82.881","0.002","78.746","0.002","87.263","0.002","7847.2","0.8","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H42 Cl12 Cu8 N8 O25 Sc4 -","- C48 H42 Cl12 Cu8 N8 O25 Sc4 -","- C96 H84 Cl24 Cu16 N16 O50 Sc8 -","2","1","","Ding, Min; Wang, Qian; Cheng, Hongtao; Bai, Junfeng","Synthesis, structure and highly selective C3H8/CH4 and C2H6/CH4 adsorption of a (4,8)-c ternary flu-metal–organic framework based upon both [Sc4O2(COO)8] and [Cu4OCl6] clusters","CrystEngComm","2022","","","","","10.1039/D2CE00133K","","","1.54178","CuKα","","0.0837","0.0695","","","0.2168","0.2312","","","","","","1.066","","","","has coordinates","273819","2022-03-18","23:37:19",""
"7244654","19.7085","0.0008","12.403","0.0006","32.0285","0.0014","90","","90","","90","","7829.2","0.6","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C46 H48 Li N4 -","- C46 H48 Li N4 -","- C368 H384 Li8 N32 -","8","2","","Bazyakina, Natalia L.; Moskalev, Mikhail V.; Cherkasov, Anton V.; Makarov, Valentin M.; Fedushkin, Igor L.","Coordination polymers derived from alkali metal complexes of redox-active ligands","CrystEngComm","2022","24","12","2297","2304","10.1039/D1CE01698A","","","1.54184","CuKα","","0.1121","0.0883","","","0.1957","0.2116","","","","","","1.058","","","","has coordinates,has disorder","273879","2022-03-21","23:40:08",""
"7244655","9.6059","0.0003","17.2348","0.0006","23.4133","0.0008","90","","100.209","0.001","90","","3814.8","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H48 K N4 -","- C46 H48 K N4 -","- C184 H192 K4 N16 -","4","1","","Bazyakina, Natalia L.; Moskalev, Mikhail V.; Cherkasov, Anton V.; Makarov, Valentin M.; Fedushkin, Igor L.","Coordination polymers derived from alkali metal complexes of redox-active ligands","CrystEngComm","2022","24","12","2297","2304","10.1039/D1CE01698A","","","0.71073","MoKα","","0.0646","0.0447","","","0.0978","0.1068","","","","","","1.015","","","","has coordinates","273879","2022-03-21","23:40:09",""
"7244656","18.7293","0.0011","12.8174","0.0008","19.6609","0.0012","90","","103.238","0.002","90","","4594.4","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C56 H56 N6 Na -","- C56 H56 N6 Na -","- C224 H224 N24 Na4 -","4","1","","Bazyakina, Natalia L.; Moskalev, Mikhail V.; Cherkasov, Anton V.; Makarov, Valentin M.; Fedushkin, Igor L.","Coordination polymers derived from alkali metal complexes of redox-active ligands","CrystEngComm","2022","24","12","2297","2304","10.1039/D1CE01698A","","","0.71073","MoKα","","0.0707","0.0482","","","0.1012","0.1112","","","","","","1.044","","","","has coordinates","273879","2022-03-21","23:40:09",""
"7244657","9.9723","0.0009","12.5561","0.0012","5.5731","0.0006","90","","92.159","0.003","90","","697.33","0.12","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C2 H4 Ag N5 O5 -","- C2 H4 Ag N5 O5 -","- C8 H16 Ag4 N20 O20 -","4","1","","Wang, Ting-wei; Zhang, Lu; Yi, Zhen-xin; Cao, Wen-li; Dong, Wen-shuai; Zhu, Shun-guan; Zhang, Jian-guo","New synthesis method for urazine and dissolution-crystallization of its Ag(i)-based laser energetic coordination polymers","CrystEngComm","2022","","","","","10.1039/D2CE00182A","","","0.71073","MoKα","","0.0526","0.0523","","","0.1385","0.1389","","","","","","1.085","","","","has coordinates","273880","2022-03-21","23:40:43",""
"7244661","16.7204","0.0007","31.9354","0.0013","32.9423","0.0013","104.02","0.002","103.807","0.002","99.65","0.002","16091.7","1.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C280 H378 Dy42 O238 -","- C280 H378 Dy42 O238 -","- C280 H378 Dy42 O238 -","1","0.5","","Che, ZiWei; Chen, JiTun; Wang, TianTian; Yan, Han; Zhou, Teng-Da; Guo, Rui; Sun, Wenbin","Wheel-like Gd42 Polynuclear Complex with Significant Magnetocaloric Effect","CrystEngComm","2022","","","","","10.1039/D2CE00315E","","","0.71073","MoKα","","0.0755","0.0428","","","0.1008","0.1148","","","","","","1.03","","","","has coordinates","273939","2022-03-23","23:35:39",""
"7244662","16.9191","0.0007","32.0586","0.0013","33.1404","0.0013","104.141","0.002","103.764","0.002","99.321","0.002","16461.5","1.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C280 H378 Gd42 O238 -","- C280 H378 Gd42 O238 -","- C280 H378 Gd42 O238 -","1","0.5","","Che, ZiWei; Chen, JiTun; Wang, TianTian; Yan, Han; Zhou, Teng-Da; Guo, Rui; Sun, Wenbin","Wheel-like Gd42 Polynuclear Complex with Significant Magnetocaloric Effect","CrystEngComm","2022","","","","","10.1039/D2CE00315E","","","0.71073","MoKα","","0.0797","0.0437","","","0.1098","0.1307","","","","","","1.019","","","","has coordinates","273939","2022-03-23","23:35:39",""
"7244669","16.9777","0.001","4.0424","0.0002","18.0441","0.0011","90","","93.412","0.002","90","","1236.18","0.12","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","IDIF","Iododiflunisal","","- C13 H7 F2 I O3 -","- C13 H7 F2 I O3 -","- C52 H28 F8 I4 O12 -","4","1","","Barbas, Rafael; Font-Bardia, Merce; Ballesteros, Alfredo; Arsequell, Gemma; Prohens, Rafel; Frontera, Antonio","Static discrete disorder in the crystal structure of Iododiflunisal: On the Importance of Hydrogen Bond, Halogen Bond and π-Stacking Interactions","CrystEngComm","2022","","","","","10.1039/D2CE00202G","","","0.71073","MoKα","","0.0394","0.0352","","","0.0908","0.0956","","","","","","1.08","","","","has coordinates,has disorder","274011","2022-03-25","23:39:45",""
"7244672","14.5014","0.0016","13.1843","0.0015","24.596","0.003","90","","99.374","0.004","90","","4639.7","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H48 Br4 N4 O8 -","- C48 H48 Br4 N4 O8 -","- C192 H192 Br16 N16 O32 -","4","1","","Tominaga, Masahide; Kondo, Sana; Hyodo, Tadashi; Kawahata, Masatoshi; Yamaguchi, Kentaro","Structure analysis of inclusion crystals of diimide-based macrocycles with halocarbons","CrystEngComm","2022","","","","","10.1039/D2CE00118G","","","1.54178","CuKα","","0.0505","0.0465","","","0.1389","0.1421","","","","","","1.069","","","","has coordinates,has disorder","274052","2022-03-28","22:32:44",""
"7244673","9.8012","0.0003","15.8268","0.0004","18.8202","0.0004","87.366","0.002","80.576","0.002","72.004","0.002","2739.09","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H47 Br9 N4 O8 -","- C55 H47 Br9 N4 O8 -","- C110 H94 Br18 N8 O16 -","2","1","","Tominaga, Masahide; Kondo, Sana; Hyodo, Tadashi; Kawahata, Masatoshi; Yamaguchi, Kentaro","Structure analysis of inclusion crystals of diimide-based macrocycles with halocarbons","CrystEngComm","2022","","","","","10.1039/D2CE00118G","","","1.54184","CuKα","","0.0899","0.0859","","","0.2184","0.2232","","","","","","1.051","","","","has coordinates,has disorder","274052","2022-03-28","22:32:44",""
"7244674","10.3961","0.0012","11.9472","0.0013","14.8227","0.0016","101.231","0.003","104.003","0.003","93.302","0.003","1741.5","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C78 H80 Br8 O4 -","- C78 H80 Br8 O4 -","- C78 H80 Br8 O4 -","1","0.5","","Tominaga, Masahide; Kondo, Sana; Hyodo, Tadashi; Kawahata, Masatoshi; Yamaguchi, Kentaro","Structure analysis of inclusion crystals of diimide-based macrocycles with halocarbons","CrystEngComm","2022","","","","","10.1039/D2CE00118G","","","1.54178","CuKα","","0.0488","0.0474","","","0.121","0.122","","","","","","1.111","","","","has coordinates","274052","2022-03-28","22:32:45",""
"7244675","24.0138","0.001","7.958","0.0003","27.4313","0.0012","90","","98.369","0.002","90","","5186.3","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C57.5 H49.5 Cl4.5 N4 O10 -","- C57.5 H49.5 Cl4.5 N4 O10 -","- C230 H198 Cl18 N16 O40 -","4","1","","Tominaga, Masahide; Kondo, Sana; Hyodo, Tadashi; Kawahata, Masatoshi; Yamaguchi, Kentaro","Structure analysis of inclusion crystals of diimide-based macrocycles with halocarbons","CrystEngComm","2022","","","","","10.1039/D2CE00118G","","","1.54178","CuKα","","0.1018","0.064","","","0.1633","0.1796","","","","","","1.035","","","","has coordinates,has disorder","274052","2022-03-28","22:32:45",""
"7244676","18.087","0.003","16.027","0.003","16.477","0.003","90","","106.124","0.004","90","","4588.5","1.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H56.67 I N4 O8.33 -","- C51 H56.67 I N4 O8.33 -","- C204 H226.68 I4 N16 O33.32 -","4","1","","Tominaga, Masahide; Kondo, Sana; Hyodo, Tadashi; Kawahata, Masatoshi; Yamaguchi, Kentaro","Structure analysis of inclusion crystals of diimide-based macrocycles with halocarbons","CrystEngComm","2022","","","","","10.1039/D2CE00118G","","","1.54178","CuKα","","0.1121","0.107","","","0.4024","0.4062","","","","","","2.153","","","","has coordinates,has disorder","274052","2022-03-28","22:32:45",""
"7244677","18.087","0.003","16.027","0.003","16.477","0.003","90","","106.124","0.004","90","","4588.5","1.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H43 I N4 O8 -","- C45 H43 I N4 O8 -","- C180 H172 I4 N16 O32 -","4","1","","Tominaga, Masahide; Kondo, Sana; Hyodo, Tadashi; Kawahata, Masatoshi; Yamaguchi, Kentaro","Structure analysis of inclusion crystals of diimide-based macrocycles with halocarbons","CrystEngComm","2022","","","","","10.1039/D2CE00118G","","","1.54178","CuKα","","0.0489","0.0448","","","0.1505","0.1586","","","","","","1.095","","","","has coordinates","274052","2022-03-28","22:32:45",""
"7244679","9.762","0.002","13.32","0.003","23.532","0.006","90","","90","","90","","3059.9","1.2","296","2","296.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H14 N24 O26 -","- C13 H14 N24 O26 -","- C52 H56 N96 O104 -","4","0.5","","Sun, Shanhu; Wang, Zhiqiang; Zhang, Haobin; Song, Xiaomin; Jin, Dengyu; Xu, Jinjiang; Sun, Jie","Host-guest Energetic Materials: a Promising Strategy of Incorporating Small Insensitive Molecule into the Lattice Cavities of 2, 4, 6, 8, 10, 12-Hexanitrohexaazaisowurtzitane to Enhance the Safety on the Premise of Maintaining the Excellent Energy Density","CrystEngComm","2022","","","","","10.1039/D2CE00199C","","","0.71073","MoKα","","0.0695","0.0518","","","0.1236","0.1346","","","","","","1.037","","","","has coordinates,has disorder","274139","2022-03-30","22:40:30",""
"7244680","7.375","0.002","12.029","0.003","13.589","0.003","108.408","0.009","94.844","0.009","93.191","0.011","1135.4","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 N6 O7 S -","- C20 H22 N6 O7 S -","- C40 H44 N12 O14 S2 -","2","1","","Baruah, Jubaraj Bikash; Nath, Jitendra","Polymorphic Solvates, Ionic-cocrystals and C-N Bond Formation to Form Ionic Cocrystal In Sulfamethoxazole and Sulfathiazole Derived Urea","CrystEngComm","2022","","","","","10.1039/D1CE01731D","","","0.71073","MoKα","","0.0641","0.0468","","","0.1263","0.1378","","","","","","1.038","","","","has coordinates","274140","2022-03-30","22:42:09",""
"7244681","5.4023","0.0008","23.533","0.004","18.032","0.003","90","","93.805","0.006","90","","2287.4","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 N6 O7 S -","- C20 H22 N6 O7 S -","- C80 H88 N24 O28 S4 -","4","1","","Baruah, Jubaraj Bikash; Nath, Jitendra","Polymorphic Solvates, Ionic-cocrystals and C-N Bond Formation to Form Ionic Cocrystal In Sulfamethoxazole and Sulfathiazole Derived Urea","CrystEngComm","2022","","","","","10.1039/D1CE01731D","","","0.71073","MoKα","","0.0985","0.0689","","","0.1737","0.1931","","","","","","1.111","","","","has coordinates","274140","2022-03-30","22:42:12",""
"7244682","9.2845","0.0006","10.2816","0.0005","21.5213","0.0013","95.205","0.005","90.068","0.005","103.897","0.005","1985.5","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H49 I N6 O5 S2 -","- C32 H49 I N6 O5 S2 -","- C64 H98 I2 N12 O10 S4 -","2","1","","Baruah, Jubaraj Bikash; Nath, Jitendra","Polymorphic Solvates, Ionic-cocrystals and C-N Bond Formation to Form Ionic Cocrystal In Sulfamethoxazole and Sulfathiazole Derived Urea","CrystEngComm","2022","","","","","10.1039/D1CE01731D","","","0.71073","MoKα","","0.1117","0.0624","","","0.1328","0.1639","","","","","","1.093","","","","has coordinates","274140","2022-03-30","22:42:12",""
"7244683","25.35","0.05","5.0173","0.0008","17.801","0.008","90","","105.4","0.11","90","","2183","5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N5 O6 S3 -","- C18 H19 N5 O6 S3 -","- C72 H76 N20 O24 S12 -","4","1","","Baruah, Jubaraj Bikash; Nath, Jitendra","Polymorphic Solvates, Ionic-cocrystals and C-N Bond Formation to Form Ionic Cocrystal In Sulfamethoxazole and Sulfathiazole Derived Urea","CrystEngComm","2022","","","","","10.1039/D1CE01731D","","","0.71073","MoKα","","0.1484","0.0721","","","0.1516","0.2107","","","","","","1.015","","","","has coordinates","274140","2022-03-30","22:42:13",""
"7244684","6.62","0.004","17.561","0.011","19.335","0.011","90","","98.96","0.02","90","","2220","2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 N6 O6 S2 -","- C19 H20 N6 O6 S2 -","- C76 H80 N24 O24 S8 -","4","1","","Baruah, Jubaraj Bikash; Nath, Jitendra","Polymorphic Solvates, Ionic-cocrystals and C-N Bond Formation to Form Ionic Cocrystal In Sulfamethoxazole and Sulfathiazole Derived Urea","CrystEngComm","2022","","","","","10.1039/D1CE01731D","","","0.71073","MoKα","","0.0939","0.049","","","0.1348","0.1764","","","","","","1.081","","","","has coordinates","274140","2022-03-30","22:42:13",""
"7244685","8.756","0.002","11.006","0.003","19.951","0.005","76.116","0.008","84.901","0.009","69.801","0.008","1751.6","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H50 N6 O6 S -","- C33 H50 N6 O6 S -","- C66 H100 N12 O12 S2 -","2","1","","Baruah, Jubaraj Bikash; Nath, Jitendra","Polymorphic Solvates, Ionic-cocrystals and C-N Bond Formation to Form Ionic Cocrystal In Sulfamethoxazole and Sulfathiazole Derived Urea","CrystEngComm","2022","","","","","10.1039/D1CE01731D","","","0.71073","MoKα","","0.0742","0.0586","","","0.1509","0.1687","","","","","","1.068","","","","has coordinates","274140","2022-03-30","22:42:14",""
"7244686","9.4076","0.0013","9.9862","0.0012","24.181","0.003","101.513","0.004","90.566","0.005","104.734","0.004","2148.4","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H59 I N6 O6 S -","- C37 H59 I N6 O6 S -","- C74 H118 I2 N12 O12 S2 -","2","1","","Baruah, Jubaraj Bikash; Nath, Jitendra","Polymorphic Solvates, Ionic-cocrystals and C-N Bond Formation to Form Ionic Cocrystal In Sulfamethoxazole and Sulfathiazole Derived Urea","CrystEngComm","2022","","","","","10.1039/D1CE01731D","","","0.71073","MoKα","","0.1033","0.0528","","","0.1446","0.1807","","","","","","1.026","","","","has coordinates","274140","2022-03-30","22:42:14",""
"7244687","12.3974","0.0009","17.3988","0.0015","23.2772","0.0017","68.343","0.003","81.611","0.003","89.765","0.003","4609.8","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H37 F8 N11 O5 S2 -","- C45 H37 F8 N11 O5 S2 -","- C180 H148 F32 N44 O20 S8 -","4","2","","Prashanth, Jupally; Arikatla, Sivalakshmi Devi; Surov, Artem; Voronin, Alexander P.; Andrei, Churakov; Perlovich, German L.; Balasubramanian, Sridhar","Understanding the thermal stability of apalutamide crystalline solvates through crystal structure analyses and computational studies","CrystEngComm","2022","","","","","10.1039/D2CE00216G","","","0.71073","MoKα","","0.1575","0.1035","","","0.2444","0.2736","","","","","","1.058","","","","has coordinates,has disorder","274178","2022-03-31","22:33:17",""
"7244688","41.7833","0.0006","13.6224","0.0002","17.4061","0.0003","90","","110.909","0.0007","90","","9254.9","0.3","294","2","294","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Apalutamide-1,4-dioxane-2:1","","","- C46 H38 F8 N10 O6 S2 -","- C46 H38 F8 N10 O6 S2 -","- C368 H304 F64 N80 O48 S16 -","8","1","","Prashanth, Jupally; Arikatla, Sivalakshmi Devi; Surov, Artem; Voronin, Alexander P.; Andrei, Churakov; Perlovich, German L.; Balasubramanian, Sridhar","Understanding the thermal stability of apalutamide crystalline solvates through crystal structure analyses and computational studies","CrystEngComm","2022","","","","","10.1039/D2CE00216G","","","0.71073","MoKα","","0.1245","0.0832","","","0.1806","0.201","","","","","","1.063","","","","has coordinates,has disorder","274178","2022-03-31","22:33:18",""
"7244689","19.3859","0.0008","16.1915","0.0003","7.3833","0.0001","90","","90.171","0.005","90","","2317.51","0.11","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Apalutamide-2-butanol-1:0.5","","","- C46 H40 F8 N10 O5 S2 -","- C46 H40 F8 N10 O5 S2 -","- C92 H80 F16 N20 O10 S4 -","2","0.5","","Prashanth, Jupally; Arikatla, Sivalakshmi Devi; Surov, Artem; Voronin, Alexander P.; Andrei, Churakov; Perlovich, German L.; Balasubramanian, Sridhar","Understanding the thermal stability of apalutamide crystalline solvates through crystal structure analyses and computational studies","CrystEngComm","2022","","","","","10.1039/D2CE00216G","","","0.71073","MoKα","","0.0737","0.0589","","","0.1313","0.1357","","","","","","1.163","","","","has coordinates,has disorder","274178","2022-03-31","22:33:18",""
"7244690","16.568","0.01","37.54","0.02","7.364","0.005","90","","90","","90","","4580","5","294","2","294","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","Apalutamide-Ethanol-2:1","","","- C44 H36 F8 N10 O5 S2 -","- C44 H36 F8 N10 O5 S2 -","- C176 H144 F32 N40 O20 S8 -","4","1","","Prashanth, Jupally; Arikatla, Sivalakshmi Devi; Surov, Artem; Voronin, Alexander P.; Andrei, Churakov; Perlovich, German L.; Balasubramanian, Sridhar","Understanding the thermal stability of apalutamide crystalline solvates through crystal structure analyses and computational studies","CrystEngComm","2022","","","","","10.1039/D2CE00216G","","","0.71073","MoKα","","0.1207","0.0704","","","0.1782","0.2143","","","","","","1.034","","","","has coordinates,has disorder","274178","2022-03-31","22:33:19",""
"7244691","8.9856","0.0004","15.2222","0.0006","16.9653","0.0007","90","","90","","90","","2320.52","0.17","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","Apalutamide-Acetonitrile-1:1","","","- C23 H18 F4 N6 O2 S -","- C23 H18 F4 N6 O2 S -","- C92 H72 F16 N24 O8 S4 -","4","1","","Prashanth, Jupally; Arikatla, Sivalakshmi Devi; Surov, Artem; Voronin, Alexander P.; Andrei, Churakov; Perlovich, German L.; Balasubramanian, Sridhar","Understanding the thermal stability of apalutamide crystalline solvates through crystal structure analyses and computational studies","CrystEngComm","2022","","","","","10.1039/D2CE00216G","","","0.71073","MoKα","","0.0294","0.0269","","","0.0695","0.0707","","","","","","1.051","","","","has coordinates","274178","2022-03-31","22:33:19",""
"7244692","25.2912","0.0007","12.4809","0.0004","17.6369","0.0005","90","","108.109","0.001","90","","5291.4","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Apalutamide-Cyclohexanone-1:1","","","- C27 H25 F4 N5 O3 S -","- C27 H25 F4 N5 O3 S -","- C216 H200 F32 N40 O24 S8 -","8","2","","Prashanth, Jupally; Arikatla, Sivalakshmi Devi; Surov, Artem; Voronin, Alexander P.; Andrei, Churakov; Perlovich, German L.; Balasubramanian, Sridhar","Understanding the thermal stability of apalutamide crystalline solvates through crystal structure analyses and computational studies","CrystEngComm","2022","","","","","10.1039/D2CE00216G","","","0.71073","MoKα","","0.1513","0.0767","","","0.135","0.1567","","","","","","1.041","","","","has coordinates,has disorder","274178","2022-03-31","22:33:19",""
"7244693","43.7534","0.0014","12.7915","0.0005","17.9103","0.0006","90","","113.481","0.001","90","","9193.8","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C45 H36 F8 N10 O5 S2 -","- C45.001 H36 F8 N10.001 O5 S2 -","- C360.008 H288 F64 N80.008 O40 S16 -","8","1","","Prashanth, Jupally; Arikatla, Sivalakshmi Devi; Surov, Artem; Voronin, Alexander P.; Andrei, Churakov; Perlovich, German L.; Balasubramanian, Sridhar","Understanding the thermal stability of apalutamide crystalline solvates through crystal structure analyses and computational studies","CrystEngComm","2022","","","","","10.1039/D2CE00216G","","","0.71073","MoKα","","0.1004","0.0631","","","0.1248","0.1388","","","","","","1.043","","","","has coordinates,has disorder","274178","2022-03-31","22:33:19",""
"7244694","22.5794","0.0015","13.3362","0.0007","18.2192","0.0011","90","","90.944","0.002","90","","5485.5","0.6","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Apalutamide-dimethylacetamide-1:1","","","- C25 H24 F4 N6 O3 S -","- C25 H24 F4 N6 O3 S -","- C200 H192 F32 N48 O24 S8 -","8","2","","Prashanth, Jupally; Arikatla, Sivalakshmi Devi; Surov, Artem; Voronin, Alexander P.; Andrei, Churakov; Perlovich, German L.; Balasubramanian, Sridhar","Understanding the thermal stability of apalutamide crystalline solvates through crystal structure analyses and computational studies","CrystEngComm","2022","","","","","10.1039/D2CE00216G","","","0.71073","MoKα","","0.1064","0.0624","","","0.1424","0.1671","","","","","","1.044","","","","has coordinates,has disorder","274178","2022-03-31","22:33:19",""
"7244695","17.3059","0.0019","12.222","0.0013","47.409","0.005","90","","90","","90","","10027.6","1.9","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C24 H23 F4 N6 O3 S -","- C24 H23 F4 N6 O3 S -","- C384 H368 F64 N96 O48 S16 -","16","4","","Prashanth, Jupally; Arikatla, Sivalakshmi Devi; Surov, Artem; Voronin, Alexander P.; Andrei, Churakov; Perlovich, German L.; Balasubramanian, Sridhar","Understanding the thermal stability of apalutamide crystalline solvates through crystal structure analyses and computational studies","CrystEngComm","2022","","","","","10.1039/D2CE00216G","","","0.71073","MoKα","","0.1025","0.0698","","","0.1421","0.1567","","","","","","1.06","","","","has coordinates,has disorder","274178","2022-03-31","22:33:19",""
"7244696","12.3588","0.0011","17.3486","0.0015","23.177","0.002","68.252","0.005","81.67","0.005","89.735","0.005","4560.4","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Apalutamide-Dimethylformamaide-2:1","","","- C45 H37 F8 N11 O5 S2 -","- C45 H37 F8 N11 O5 S2 -","- C180 H148 F32 N44 O20 S8 -","4","2","","Prashanth, Jupally; Arikatla, Sivalakshmi Devi; Surov, Artem; Voronin, Alexander P.; Andrei, Churakov; Perlovich, German L.; Balasubramanian, Sridhar","Understanding the thermal stability of apalutamide crystalline solvates through crystal structure analyses and computational studies","CrystEngComm","2022","","","","","10.1039/D2CE00216G","","","0.71073","MoKα","","0.117","0.0816","","","0.1779","0.1932","","","","","","1.117","","","","has coordinates,has disorder","274178","2022-03-31","22:33:19",""
"7244697","17.7813","0.0006","13.014","0.0004","18.4676","0.0006","90","","100.884","0.0011","90","","4196.6","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 F4 N5 O2 S -","- C21 H15 F4 N5 O2 S -","- C168 H120 F32 N40 O16 S8 -","8","2","","Prashanth, Jupally; Arikatla, Sivalakshmi Devi; Surov, Artem; Voronin, Alexander P.; Andrei, Churakov; Perlovich, German L.; Balasubramanian, Sridhar","Understanding the thermal stability of apalutamide crystalline solvates through crystal structure analyses and computational studies","CrystEngComm","2022","","","","","10.1039/D2CE00216G","","","0.71073","MoKα","","0.0552","0.0432","","","0.1013","0.1078","","","","","","1.031","","","","has coordinates,has disorder","274178","2022-03-31","22:33:19",""
"7244698","12.175","0.0003","15.5498","0.0005","12.6033","0.0003","90","","105.706","0.0008","90","","2296.95","0.11","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C45 H46 Co2 N8 O13 S -","- C45 H46 Co2 N8 O13 S -","- C90 H92 Co4 N16 O26 S2 -","2","1","","Zhao, Yanzhu; Zhu, Peizhi; Pan, Lingwei; Xie, Yiqing; Ng, Seik Weng; Zhang, Kou-Lin","Preparation and Characterization of a Newly Constructed Multifunctional Co(II)-organic Framework: Proton Conduction and Adsorption of Congo Red in Aqueous Medium","CrystEngComm","2022","","","","","10.1039/D2CE00330A","","","0.71073","MoKα","","0.1134","0.0517","","","0.0972","0.1177","","","","","","0.994","","","","has coordinates,has disorder","274179","2022-03-31","22:34:32",""
"7244699","6.88","0.0014","11.9","0.002","15.69","0.003","109.77","0.03","100.53","0.03","96.7","0.03","1166.2","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H42 Cl2 N2 O20 -","- C38 H42 Cl2 N2 O20 -","- C38 H42 Cl2 N2 O20 -","1","0.5","","Chahine, Ali; Chaffee, Alan L.; Knowles, Gregory P.; Turner, David Roger; Batten, Stuart R.","Highly Connected Framework Materials from Flexible Tetra-Isophthalate Ligands","CrystEngComm","2022","","","","","10.1039/D2CE00269H","","","0.71073","Synchrotron","","0.044","0.0435","","","0.1279","0.1283","","","","","","1.058","","","","has coordinates","274181","2022-03-31","22:37:48",""
"7244700","42.6882","0.0013","14.5716","0.0006","26.9781","0.0012","90","","90","","90","","16781.3","1.1","122.99","0.11","122.99","0.11","","","","","","","","5","P m n a","-P 2ac 2","53","","","","- C44 H44.73 Cu2.4 N4 O16.8 -","- C44 H44.5667 Cu2.4 N4 O16.8 -","- C528 H534.8 Cu28.8 N48 O201.6 -","12","1.5","","Chahine, Ali; Chaffee, Alan L.; Knowles, Gregory P.; Turner, David Roger; Batten, Stuart R.","Highly Connected Framework Materials from Flexible Tetra-Isophthalate Ligands","CrystEngComm","2022","","","","","10.1039/D2CE00269H","","","1.54184","CuKα","","0.2532","0.1797","","","0.4363","0.4904","","","","","","1.488","","","","has coordinates,has disorder","274181","2022-03-31","22:37:49",""
"7244701","9.43","0.0019","9.79","0.002","21.43","0.004","83.42","0.03","80.88","0.03","78.36","0.03","1906.2","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H41 Cl N2 O19 -","- C39 H41 Cl N2 O19 -","- C78 H82 Cl2 N4 O38 -","2","1","","Chahine, Ali; Chaffee, Alan L.; Knowles, Gregory P.; Turner, David Roger; Batten, Stuart R.","Highly Connected Framework Materials from Flexible Tetra-Isophthalate Ligands","CrystEngComm","2022","","","","","10.1039/D2CE00269H","","","0.71073","Synchrotron","","0.0726","0.0628","","","0.1855","0.2104","","","","","","1.09","","","","has coordinates","274181","2022-03-31","22:37:49",""
"7244702","26.67","0.004","26.67","0.004","25.93","0.005","90","","90","","90","","18444","5","100","2","100","2","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C38 H32 Cu2 N2 O18 -","- C38 H32 Cu2 N2 O18 -","- C304 H256 Cu16 N16 O144 -","8","1","","Chahine, Ali; Chaffee, Alan L.; Knowles, Gregory P.; Turner, David Roger; Batten, Stuart R.","Highly Connected Framework Materials from Flexible Tetra-Isophthalate Ligands","CrystEngComm","2022","","","","","10.1039/D2CE00269H","","","0.710919","Synchrotron","","0.0728","0.0367","","","0.0953","0.1089","","","","","","0.907","","","","has coordinates,has disorder","274181","2022-03-31","22:37:49",""
"7244703","10.17","0.002","11.05","0.002","14.24","0.003","95.2","0.03","106.95","0.03","96.48","0.03","1508.1","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H46 Cd2 N2 O22 -","- C42 H46 Cd2 N2 O22 -","- C42 H46 Cd2 N2 O22 -","1","0.5","","Chahine, Ali; Chaffee, Alan L.; Knowles, Gregory P.; Turner, David Roger; Batten, Stuart R.","Highly Connected Framework Materials from Flexible Tetra-Isophthalate Ligands","CrystEngComm","2022","","","","","10.1039/D2CE00269H","","","0.710877","Synchrotron","","0.0749","0.0739","","","0.1993","0.2002","","","","","","1.122","","","","has coordinates","274181","2022-03-31","22:37:49",""
"7244704","8.683","0.0017","22.176","0.004","11.103","0.002","90","","108.05","0.03","90","","2032.7","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H40 Cl2 N2 O16 -","- C42 H40 Cl2 N2 O16 -","- C84 H80 Cl4 N4 O32 -","2","0.5","","Chahine, Ali; Chaffee, Alan L.; Knowles, Gregory P.; Turner, David Roger; Batten, Stuart R.","Highly Connected Framework Materials from Flexible Tetra-Isophthalate Ligands","CrystEngComm","2022","","","","","10.1039/D2CE00269H","","","0.71073","Synchrotron","","0.0475","0.0432","","","0.116","0.1192","","","","","","1.063","","","","has coordinates","274181","2022-03-31","22:37:49",""
"7244705","16.868","0.003","25.914","0.005","28.838","0.006","90","","90","","90","","12606","4","100","2","100","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C40 H37 Cd2.5 N3 O17.5 -","- C40 H37 Cd2.5 N3 O17.5 -","- C320 H296 Cd20 N24 O140 -","8","1","","Chahine, Ali; Chaffee, Alan L.; Knowles, Gregory P.; Turner, David Roger; Batten, Stuart R.","Highly Connected Framework Materials from Flexible Tetra-Isophthalate Ligands","CrystEngComm","2022","","","","","10.1039/D2CE00269H","","","0.710877","Synchrotron","","0.0329","0.0328","","","0.0924","0.0925","","","","","","1.031","","","","has coordinates,has disorder","274181","2022-03-31","22:37:50",""
"7244706","29.643","0.006","18.639","0.004","27.125","0.005","90","","90","","90","","14987","5","100","2","100","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C45 H40 Cu3 N3 O22.25 -","- C45 H40 Cu3 N3 O22.25 -","- C360 H320 Cu24 N24 O178 -","8","0.5","","Chahine, Ali; Chaffee, Alan L.; Knowles, Gregory P.; Turner, David Roger; Batten, Stuart R.","Highly Connected Framework Materials from Flexible Tetra-Isophthalate Ligands","CrystEngComm","2022","","","","","10.1039/D2CE00269H","","","0.710919","Synchrotron","","0.0961","0.0746","","","0.2286","0.2501","","","","","","1.044","","","","has coordinates,has disorder","274181","2022-03-31","22:37:50",""
"7244707","20.7302","0.0003","30.3248","0.0003","17.7067","0.0002","90","","90","","90","","11131.1","0.2","123","2","123","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C42.5 H48.5 Cd3 Cl N3.5 O28 -","- C42.5 H48.5 Cd3 Cl N3.5 O28 -","- C340 H388 Cd24 Cl8 N28 O224 -","8","0.5","","Chahine, Ali; Chaffee, Alan L.; Knowles, Gregory P.; Turner, David Roger; Batten, Stuart R.","Highly Connected Framework Materials from Flexible Tetra-Isophthalate Ligands","CrystEngComm","2022","","","","","10.1039/D2CE00269H","","","1.54184","","","0.0804","0.0767","","","0.2163","0.2203","","","","","","1.047","","","","has coordinates,has disorder","274181","2022-03-31","22:37:50",""
"7244708","8.722","0.0017","12.251","0.003","13.899","0.003","87.58","0.03","86.25","0.03","77.23","0.03","1444.7","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H52 N4 O21 Zn2 -","- C48 H52 N4 O21 Zn2 -","- C48 H52 N4 O21 Zn2 -","1","0.5","","Chahine, Ali; Chaffee, Alan L.; Knowles, Gregory P.; Turner, David Roger; Batten, Stuart R.","Highly Connected Framework Materials from Flexible Tetra-Isophthalate Ligands","CrystEngComm","2022","","","","","10.1039/D2CE00269H","","","0.710919","Synchrotron","","0.0613","0.0596","","","0.1906","0.1939","","","","","","1.125","","","","has coordinates,has disorder","274181","2022-03-31","22:37:50",""
"7244709","12.275","0.003","18.185","0.004","21.541","0.004","101.01","0.03","100.5","0.03","93.31","0.03","4619.5","1.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H36 Cu3 N2 O19 -","- C42 H36 Cu3 N2 O19 -","- C84 H72 Cu6 N4 O38 -","2","1","","Chahine, Ali; Chaffee, Alan L.; Knowles, Gregory P.; Turner, David Roger; Batten, Stuart R.","Highly Connected Framework Materials from Flexible Tetra-Isophthalate Ligands","CrystEngComm","2022","","","","","10.1039/D2CE00269H","","","0.710919","Synchrotron","","0.1241","0.1042","","","0.3013","0.3169","","","","","","1.257","","","","has coordinates","274181","2022-03-31","22:37:50",""
"7244710","14.6827","0.0009","18.5378","0.0005","21.3961","0.0005","73.768","0.002","71.193","0.004","87.559","0.004","5285.8","0.4","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H48.5 Cu4 N3.5 O21 -","- C45 H48.5 Cu4 N3.5 O21 -","- C90 H97 Cu8 N7 O42 -","2","1","","Chahine, Ali; Chaffee, Alan L.; Knowles, Gregory P.; Turner, David Roger; Batten, Stuart R.","Highly Connected Framework Materials from Flexible Tetra-Isophthalate Ligands","CrystEngComm","2022","","","","","10.1039/D2CE00269H","","","1.54184","CuKα","","0.1528","0.1365","","","0.3768","0.3896","","","","","","1.482","","","","has coordinates,has disorder","274181","2022-03-31","22:37:50",""
"7244711","7.03","0.0014","10.433","0.002","16.113","0.003","103.76","0.03","97.8","0.03","107.12","0.03","1069.7","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H46 Cl2 N2 O19 -","- C42 H46 Cl2 N2 O19 -","- C42 H46 Cl2 N2 O19 -","1","0.5","","Chahine, Ali; Chaffee, Alan L.; Knowles, Gregory P.; Turner, David Roger; Batten, Stuart R.","Highly Connected Framework Materials from Flexible Tetra-Isophthalate Ligands","CrystEngComm","2022","","","","","10.1039/D2CE00269H","","","0.71073","Synchrotron","","0.0771","0.0529","","","0.1297","0.1436","","","","","","1.043","","","","has coordinates,has disorder","274181","2022-03-31","22:37:50",""
"7244712","20.934","0.004","31.398","0.006","13.458","0.003","90","","90","","90","","8846","3","100","2","100","2","","","","","","","","6","C m m m","-C 2 2","65","","","","- C40 H29.5 Cl0.5 Cu4 N2.5 O20 -","- C40 H29.5 Cl0.5 Cu4 N2.5 O20 -","- C160 H118 Cl2 Cu16 N10 O80 -","4","0.25","","Chahine, Ali; Chaffee, Alan L.; Knowles, Gregory P.; Turner, David Roger; Batten, Stuart R.","Highly Connected Framework Materials from Flexible Tetra-Isophthalate Ligands","CrystEngComm","2022","","","","","10.1039/D2CE00269H","","","0.710877","Synchrotron","","0.0567","0.0529","","","0.1812","0.1868","","","","","","1.136","","","","has coordinates","274181","2022-03-31","22:37:50",""
"7244713","25.731","0.005","26.455","0.005","26.552","0.005","90","","113.93","0.03","90","","16521","7","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C38 H25 Cu3.5 N2 O19 -","- C38 H25 Cu3.5 N2 O19 -","- C304 H200 Cu28 N16 O152 -","8","1","","Chahine, Ali; Chaffee, Alan L.; Knowles, Gregory P.; Turner, David Roger; Batten, Stuart R.","Highly Connected Framework Materials from Flexible Tetra-Isophthalate Ligands","CrystEngComm","2022","","","","","10.1039/D2CE00269H","","","0.710877","Synchrotron","","0.1713","0.1391","","","0.3889","0.4252","","","","","","1.427","","","","has coordinates","274181","2022-03-31","22:37:50",""
"7244716","9.1792","0.0003","9.1792","0.0003","21.9776","0.001","90","","90","","120","","1603.69","0.1","150","2","150","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C12 H36 Bi2 Cl11 N3 -","- C12 H36 Bi2 Cl11.0004 N3 -","- C24 H72 Bi4 Cl22.0008 N6 -","2","0.0833333","","Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Kolesov, Boris A.; Abramov, Pavel A.; Plyusnin, Pavel E.; Sokolov, Maksim Nailyevich; Adonin, Sergey A.","Dichlorine-containing chlorobismuthate(III) supramolecular hybrid: structure and experimental studies of stability","CrystEngComm","2022","","","","","10.1039/D2CE00210H","","","0.71073","MoKα","","0.0612","0.0609","","","0.1409","0.1411","","","","","","1.449","","","","has coordinates,has disorder","274362","2022-04-05","22:50:29",""
"7244718","6.4839","0.0005","10.5895","0.0008","20.8436","0.0015","90","","90","","90","","1431.15","0.19","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H5 N7 O10 -","- C9 H5 N7 O10 -","- C36 H20 N28 O40 -","4","1","","Qiao, Shen; Wang, Jianhua; Yu, Yanwu; Liu, Yucun; Yang, Zongwei; Li, Hongzhen","Two novel TNB energetic cocrystals with low melting point: a potential strategy to construct melt cast explosive carriers","CrystEngComm","2022","","","","","10.1039/D2CE00025C","","","0.71073","MoKα","","0.0301","0.0275","","","0.0703","0.0722","","","","","","1.035","","","","has coordinates","274404","2022-04-06","22:33:18",""
"7244719","6.7852","0.0017","11.054","0.003","20.043","0.005","90","","90","","90","","1503.3","0.7","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H6 N8 O10 -","- C9 H6 N8 O10 -","- C36 H24 N32 O40 -","4","1","","Qiao, Shen; Wang, Jianhua; Yu, Yanwu; Liu, Yucun; Yang, Zongwei; Li, Hongzhen","Two novel TNB energetic cocrystals with low melting point: a potential strategy to construct melt cast explosive carriers","CrystEngComm","2022","","","","","10.1039/D2CE00025C","","","0.71073","MoKα","","0.0838","0.0399","","","0.0921","0.1144","","","","","","1.037","","","","has coordinates","274404","2022-04-06","22:33:18",""
"7244720","9.2333","0.0005","10.1635","0.0008","14.3186","0.0005","79.464","0.005","74.926","0.004","64.319","0.006","1165.49","0.13","297","","297","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H34 Cl4 N6 O12 Ti3 -","- C44 H34 Cl4 N6 O12 Ti3 -","- C44 H34 Cl4 N6 O12 Ti3 -","1","0.5","","Wang, Chao; Chen, Ning; Kong, Fangong; Wang, Shoujuan","A family of oxime-based titanium-oxo clusters: synthesis, structures, and photoelectric responses","CrystEngComm","2022","","","","","10.1039/D2CE00195K","","x-ray","1.54184","CuKα","","0.0757","0.0679","","","0.209","0.2304","","","","","","1.064","","","","has coordinates","274405","2022-04-06","22:35:03",""
"7244721","13.5956","0.0005","14.9312","0.0005","20.3151","0.0007","93.9774","0.0015","95.1157","0.0014","100.33","0.0015","4025.6","0.2","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C64 H100 N4 O28 Ti8 -","- C64 H100 N4 O28 Ti8 -","- C128 H200 N8 O56 Ti16 -","2","1","","Wang, Chao; Chen, Ning; Kong, Fangong; Wang, Shoujuan","A family of oxime-based titanium-oxo clusters: synthesis, structures, and photoelectric responses","CrystEngComm","2022","","","","","10.1039/D2CE00195K","","","0.71073","MoKα","","0.0684","0.0477","","","0.1256","0.1416","","","","","","1.019","","","","has coordinates,has disorder","274405","2022-04-06","22:35:04",""
"7244722","12.5281","0.0011","30.0488","0.0017","10.1629","0.0009","90","","110.549","0.011","90","","3582.4","0.6","297","","297","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H32 N2 O13 Ti3 -","- C32 H32 N2 O13 Ti3 -","- C128 H128 N8 O52 Ti12 -","4","1","","Wang, Chao; Chen, Ning; Kong, Fangong; Wang, Shoujuan","A family of oxime-based titanium-oxo clusters: synthesis, structures, and photoelectric responses","CrystEngComm","2022","","","","","10.1039/D2CE00195K","","x-ray","1.54184","CuKα","","0.1382","0.0692","","","0.1564","0.2034","","","","","","0.988","","","","has coordinates","274405","2022-04-06","22:35:04",""
"7244723","11.867","0.0003","21.1077","0.0005","18.0596","0.0004","90","","106.668","0.0009","90","","4333.59","0.18","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H39 N3 O13 Ti3 -","- C41 H39 N3 O13 Ti3 -","- C164 H156 N12 O52 Ti12 -","4","1","","Wang, Chao; Chen, Ning; Kong, Fangong; Wang, Shoujuan","A family of oxime-based titanium-oxo clusters: synthesis, structures, and photoelectric responses","CrystEngComm","2022","","","","","10.1039/D2CE00195K","","","0.71073","MoKα","","0.0472","0.0342","","","0.0883","0.0971","","","","","","1.037","","","","has coordinates,has disorder","274405","2022-04-06","22:35:04",""
"7244724","13.6916","0.0007","14.6046","0.0009","14.21","0.0008","90","","101.132","0.005","90","","2788","0.3","137","1","137","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H29 N3 O8 Ti2 -","- C27 H29 N3 O8 Ti2 -","- C108 H116 N12 O32 Ti8 -","4","1","","Wang, Chao; Chen, Ning; Kong, Fangong; Wang, Shoujuan","A family of oxime-based titanium-oxo clusters: synthesis, structures, and photoelectric responses","CrystEngComm","2022","","","","","10.1039/D2CE00195K","","x-ray","1.54184","CuKα","","0.09","0.0627","","","0.1601","0.1901","","","","","","1.06","","","","has coordinates","274405","2022-04-06","22:35:04",""
"7244725","11.5289","0.0001","15.1039","0.0001","26.5225","0.0001","90","","90","","90","","4618.4","0.05","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H40 Cd3 N4 O16 -","- C44 H40 Cd3 N4 O16 -","- C176 H160 Cd12 N16 O64 -","4","1","","Wang, Zhi-Wen; Zhu, Zi-Yi; Li, Shangda; Wang, Fei","Design Syntheses of Metal-Organic Layer with Rich N-sites for CO2 Chemical Fixation","CrystEngComm","2022","","","","","10.1039/D2CE00088A","","x-ray","1.3405","GaKα","","0.0221","0.0203","","","0.0491","0.0498","","","","","","1.031","","","","has coordinates","274417","2022-04-07","22:35:09",""
"7244726","11.5288","0.0001","15.0909","0.0001","26.5164","0.0002","90","","90","","90","","4613.32","0.06","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C43 H40 Cd3 N4 O16 -","- C44 H40 Cd3 N4 O16 -","- C176 H160 Cd12 N16 O64 -","4","1","","Wang, Zhi-Wen; Zhu, Zi-Yi; Li, Shangda; Wang, Fei","Design Syntheses of Metal-Organic Layer with Rich N-sites for CO2 Chemical Fixation","CrystEngComm","2022","","","","","10.1039/D2CE00088A","","x-ray","1.3405","GaKα","","0.0456","0.0444","","","0.1202","0.1213","","","","","","1.068","","","","has coordinates","274417","2022-04-07","22:35:09",""
"7244727","11.1809","0.0001","15.0036","0.0001","25.5061","0.0001","90","","90","","90","","4278.74","0.05","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H37 N4 O16 Zn3 -","- C44 H37 N4 O16 Zn3 -","- C176 H148 N16 O64 Zn12 -","4","1","","Wang, Zhi-Wen; Zhu, Zi-Yi; Li, Shangda; Wang, Fei","Design Syntheses of Metal-Organic Layer with Rich N-sites for CO2 Chemical Fixation","CrystEngComm","2022","","","","","10.1039/D2CE00088A","","x-ray","1.3405","GaKα","","0.0325","0.0311","","","0.0757","0.0761","","","","","","1.072","","","","has coordinates","274417","2022-04-07","22:35:09",""
"7244728","11.1793","0.0001","15.0014","0.0002","25.5008","0.0002","90","","90","","90","","4276.62","0.08","99.99","0.1","99.99","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H40 N4 O16 Zn3 -","- C44 H40 N4 O16 Zn3 -","- C176 H160 N16 O64 Zn12 -","4","1","","Wang, Zhi-Wen; Zhu, Zi-Yi; Li, Shangda; Wang, Fei","Design Syntheses of Metal-Organic Layer with Rich N-sites for CO2 Chemical Fixation","CrystEngComm","2022","","","","","10.1039/D2CE00088A","","x-ray","1.3405","GaKα","","0.0385","0.0361","","","0.0889","0.0906","","","","","","1.026","","","","has coordinates","274417","2022-04-07","22:35:09",""
"7244729","34.4367","0.0018","4.3516","0.0002","28.1754","0.0015","90","","90","","90","","4222.2","0.4","150","","150","","","","","","","","synthesized","3","P c a 21","P 2c -2ac","29","","","","- C23 H19 N7 -","- C23 H19 N7 -","- C184 H152 N56 -","8","2","","Foyle, Émer M.; Tay, Hui Min; White, Nicholas G.","Towards hydrogen and halogen bonded frameworks based on 3,5-bis(triazolyl)pyridinium motifs","CrystEngComm","2022","","","","","10.1039/D2CE00273F","","","1.54184","CuKα","","0.0999","0.0844","","0.2416","0.2219","0.241","","","","","","1.0025","","","","has coordinates","274418","2022-04-07","22:37:05",""
"7244730","13.6171","0.0005","18.4028","0.0006","12.9206","0.0006","90","","115.024","0.005","90","","2933.9","0.2","150","","150","","","","","","","","synthesized","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25.6 Br0.4 I2 N7 O3.4 S0.6 -","- C28 H25.6 Br0.4 I2 N7 O3.4 S0.6 -","- C112 H102.4 Br1.6 I8 N28 O13.6 S2.4 -","4","1","","Foyle, Émer M.; Tay, Hui Min; White, Nicholas G.","Towards hydrogen and halogen bonded frameworks based on 3,5-bis(triazolyl)pyridinium motifs","CrystEngComm","2022","","","","","10.1039/D2CE00273F","","","0.71073","MoKα","","0.0754","0.0681","","0.1445","0.1398","0.1445","","","","","","1.1305","","","","has coordinates,has disorder","274418","2022-04-07","22:37:05",""
"7244731","6.991","0.0014","24.531","0.005","30.593","0.006","90","","92.77","0.03","90","","5240.5","1.8","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53 H46 Cl2 N14 O -","- C53 H46 Cl2 N14 O -","- C212 H184 Cl8 N56 O4 -","4","1","","Foyle, Émer M.; Tay, Hui Min; White, Nicholas G.","Towards hydrogen and halogen bonded frameworks based on 3,5-bis(triazolyl)pyridinium motifs","CrystEngComm","2022","","","","","10.1039/D2CE00273F","","","0.71073","Synchrotron","","0.121","0.0814","","","0.2245","0.2577","","","","","","1.027","","","","has coordinates","274418","2022-04-07","22:37:06",""
"7244732","16.12","0.003","13.851","0.003","15.928","0.003","90","","113.96","0.03","90","","3249.9","1.3","100","","100","","","","","","","","synthesized","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H36 N7 O4 S -","- C25 H36 N7 O4 S -","- C100 H144 N28 O16 S4 -","4","1","","Foyle, Émer M.; Tay, Hui Min; White, Nicholas G.","Towards hydrogen and halogen bonded frameworks based on 3,5-bis(triazolyl)pyridinium motifs","CrystEngComm","2022","","","","","10.1039/D2CE00273F","","","0.7109","Synchrotron","","0.1528","0.1348","","0.2402","0.2363","0.24","","","","","","0.7884","","","","has coordinates,has disorder","274418","2022-04-07","22:37:06",""
"7244733","13.546","0.003","18.552","0.002","12.799","0.002","90","","114.375","0.01","90","","2929.8","0.9","100","","100","","","","","","","","synthesized","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 I2 N7 O5 S -","- C28 H26 I2 N7 O5 S -","- C112 H104 I8 N28 O20 S4 -","4","1","","Foyle, Émer M.; Tay, Hui Min; White, Nicholas G.","Towards hydrogen and halogen bonded frameworks based on 3,5-bis(triazolyl)pyridinium motifs","CrystEngComm","2022","","","","","10.1039/D2CE00273F","","","0.7109","Synchrotron","","0.0687","0.064","","0.1661","0.1619","0.1661","","","","","","1.0018","","","","has coordinates","274418","2022-04-07","22:37:06",""
"7244734","16.037","0.003","20.726","0.004","8.525","0.0017","90","","101.95","0.03","90","","2772.2","1","100","","100","","","","","","","","synthesized","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 Cl I2 N7 O0.5 -","- C27 H22 Cl I2 N7 O0.5 -","- C108 H88 Cl4 I8 N28 O2 -","4","1","","Foyle, Émer M.; Tay, Hui Min; White, Nicholas G.","Towards hydrogen and halogen bonded frameworks based on 3,5-bis(triazolyl)pyridinium motifs","CrystEngComm","2022","","","","","10.1039/D2CE00273F","","","0.710751","Synchrotron","","0.0407","0.0397","","0.1215","0.1206","0.1215","","","","","","1.0079","","","","has coordinates","274418","2022-04-07","22:37:06",""
"7244735","18.483","0.004","18.604","0.004","18.986","0.004","87.77","0.03","61.09","0.03","87.55","0.03","5708","3","100","","100","","","","","","","","synthesized","5","P -1","-P 1","2","","","","- C117 H92 N28 O8 S2 -","- C117 H92 N28 O8 S2 -","- C234 H184 N56 O16 S4 -","2","1","","Foyle, Émer M.; Tay, Hui Min; White, Nicholas G.","Towards hydrogen and halogen bonded frameworks based on 3,5-bis(triazolyl)pyridinium motifs","CrystEngComm","2022","","","","","10.1039/D2CE00273F","","","0.710751","Synchrotron","","0.1964","0.1098","","0.3633","0.2669","0.3629","","","","","","0.9944","","","","has coordinates,has disorder","274418","2022-04-07","22:37:06",""
"7244746","9.032","0.0003","6.2712","0.0003","21.3774","0.0009","90","","99.42","0.004","90","","1194.52","0.09","293.15","","293.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","5-Fluoro-3-thiomorpholin-4-yl-2,1-benzoxaborol-1(3H)-ol","","- C11 H13 B F N O2 S -","- C11 H13 B F N O2 S -","- C44 H52 B4 F4 N4 O8 S4 -","4","1","","Dąbrowska, Anna Maria; Adamczyk-Woźniak, Agnieszka; Madura, Izabela Dorota","Effect of substituents in novel bioactive tavaborole derivatives on intermolecular interactions hierarchy","CrystEngComm","2022","","","","","10.1039/D2CE00279E","","x-ray","0.71073","MoKα","","0.0572","0.0413","","","0.0956","0.1048","","","","","","1.029","","","","has coordinates","274437","2022-04-08","22:42:00",""
"7244747","6.1181","0.0003","9.4155","0.0004","10.1914","0.0004","99.383","0.003","100.605","0.004","91.22","0.004","568.53","0.04","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","5-Fluoro-3-morpholin-4-yl-2,1-benzoxaborol-1(3H)-ol","","- C11 H13 B F N O3 -","- C11 H13 B F N O3 -","- C22 H26 B2 F2 N2 O6 -","2","1","","Dąbrowska, Anna Maria; Adamczyk-Woźniak, Agnieszka; Madura, Izabela Dorota","Effect of substituents in novel bioactive tavaborole derivatives on intermolecular interactions hierarchy","CrystEngComm","2022","","","","","10.1039/D2CE00279E","","x-ray","0.71073","MoKα","","0.0435","0.0338","","","0.0866","0.0922","","","","","","1.065","","","","has coordinates","274437","2022-04-08","22:42:00",""
"7244748","7.1291","0.0002","13.5358","0.0005","27.2056","0.0011","90","","90","","90","","2625.29","0.16","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Tipiracil hydrochloride methanol solvate - hydrate","","- C37 H58 Cl8 N16 O12 -","- C37 H58 Cl8 N16 O12 -","- C74 H116 Cl16 N32 O24 -","2","0.5","","Barbas, Rafael; Font-Bardia, Mercè; de Sande, Dafne; Frontera, Antonio; Prohens, Rafel","Combined crystallographic and computational investigation of the solvent disorder present in a new tipiracil hydrochloride methanol solvate–hydrate","CrystEngComm","2022","","","","","10.1039/D2CE00161F","","","0.71073","MoKα","","0.0593","0.0498","","","0.1175","0.1255","","","","","","1.048","","","","has coordinates,has disorder","274438","2022-04-08","22:42:27",""
"7244754","6.3227","0.0005","13.3902","0.0008","18.0051","0.0008","90","","96.575","0.005","90","","1514.33","0.17","150","2","150.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H23 O4 P -","- C14 H23 O4 P -","- C56 H92 O16 P4 -","4","1","","Prapakaran, T.; Kuppuswamy, Subramaniam; Murugavel, Ramaswamy","Supramolecular aggregation in sterically encumbered monoarylphosphates and their H-bonded adducts: Multigram synthesis of elusive 2,6-di-tert-butylphenyl phosphate","CrystEngComm","2022","","","","","10.1039/D2CE00172A","","x-ray","0.71073","MoKα","","0.1074","0.0875","","","0.1887","0.2037","","","","","","1.119","","","","has coordinates","274456","2022-04-11","22:47:27",""
"7244755","10.9939","0.0006","16.8795","0.0009","11.7929","0.0007","90","","97.999","0.001","90","","2167.1","0.2","100","2","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H27 N2 O4 P -","- C22 H27 N2 O4 P -","- C88 H108 N8 O16 P4 -","4","1","","Prapakaran, T.; Kuppuswamy, Subramaniam; Murugavel, Ramaswamy","Supramolecular aggregation in sterically encumbered monoarylphosphates and their H-bonded adducts: Multigram synthesis of elusive 2,6-di-tert-butylphenyl phosphate","CrystEngComm","2022","","","","","10.1039/D2CE00172A","","","0.71073","MoKα","","0.0357","0.0319","","","0.0832","0.0857","","","","","","1.039","","","","has coordinates","274456","2022-04-11","22:47:29",""
"7244756","18.3882","0.0009","16.3684","0.0007","24.7963","0.0013","90","","96.253","0.005","90","","7418.9","0.6","150","2","150.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H62 N2 O9 P2 -","- C32 H62 N2 O9 P2 -","- C256 H496 N16 O72 P16 -","8","2","","Prapakaran, T.; Kuppuswamy, Subramaniam; Murugavel, Ramaswamy","Supramolecular aggregation in sterically encumbered monoarylphosphates and their H-bonded adducts: Multigram synthesis of elusive 2,6-di-tert-butylphenyl phosphate","CrystEngComm","2022","","","","","10.1039/D2CE00172A","","x-ray","0.71073","MoKα","","0.1392","0.0594","","","0.1326","0.1603","","","","","","1.042","","","","has coordinates","274456","2022-04-11","22:47:29",""
"7244757","10.4795","0.0003","12.8571","0.0004","21.1268","0.0004","83.418","0.002","76.743","0.002","83.11","0.003","2739.47","0.13","103","4","103","4","","","","","","","","5","P -1","-P 1","2","","","","- C53 H81 N2 O13 P3 -","- C53 H81 N2 O13 P3 -","- C106 H162 N4 O26 P6 -","2","1","","Prapakaran, T.; Kuppuswamy, Subramaniam; Murugavel, Ramaswamy","Supramolecular aggregation in sterically encumbered monoarylphosphates and their H-bonded adducts: Multigram synthesis of elusive 2,6-di-tert-butylphenyl phosphate","CrystEngComm","2022","","","","","10.1039/D2CE00172A","","x-ray","0.71073","MoKα","","0.0524","0.0432","","","0.1119","0.1223","","","","","","1.07","","","","has coordinates","274456","2022-04-11","22:47:29",""
"7244758","11.424","0.007","13.039","0.002","25.626","0.005","90","","90","","90","","3817","3","293","2","293.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H29 N2 O4 P -","- C16 H29 N2 O4 P -","- C128 H232 N16 O32 P8 -","8","1","","Prapakaran, T.; Kuppuswamy, Subramaniam; Murugavel, Ramaswamy","Supramolecular aggregation in sterically encumbered monoarylphosphates and their H-bonded adducts: Multigram synthesis of elusive 2,6-di-tert-butylphenyl phosphate","CrystEngComm","2022","","","","","10.1039/D2CE00172A","","","0.71073","MoKα","","0.1467","0.0584","","","0.1427","0.1642","","","","","","0.964","","","","has coordinates","274456","2022-04-11","22:47:29",""
"7244759","19.7198","0.0004","15.6597","0.0003","27.7238","0.0007","90","","101.019","0.002","90","","8403.4","0.3","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H35 N2 O4 P -","- C20 H35 N2 O4 P -","- C320 H560 N32 O64 P16 -","16","4","","Prapakaran, T.; Kuppuswamy, Subramaniam; Murugavel, Ramaswamy","Supramolecular aggregation in sterically encumbered monoarylphosphates and their H-bonded adducts: Multigram synthesis of elusive 2,6-di-tert-butylphenyl phosphate","CrystEngComm","2022","","","","","10.1039/D2CE00172A","","x-ray","0.71073","MoKα","","0.0947","0.053","","","0.144","0.1716","","","","","","1.037","","","","has coordinates","274456","2022-04-11","22:47:29",""
"7244767","12.966","0.003","14.216","0.003","16.083","0.003","106.92","0.03","105.88","0.02","94.314","0.019","2689","1.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H28 Ce N9 O14 Ru -","- C44 H28 Ce N9 O14 Ru -","- C88 H56 Ce2 N18 O28 Ru2 -","2","1","","Yu, Yong-Hui; Huang, Sheng-Li; Yang, Guo-Yu","[Ru(NꓥNꓥN)2-Ce]-based Framework for Photocatalytic Sulfide Oxidation and Hydrogen Production","CrystEngComm","2022","","","","","10.1039/D2CE00397J","","","0.71073","MoKα","","0.1179","0.0738","","","0.1691","0.189","","","","","","1.024","","","","has coordinates","274499","2022-04-12","22:39:59",""
"7244768","12.978","0.002","14.05","0.003","16.307","0.003","107.623","0.006","105.164","0.006","95.164","0.006","2688.5","0.9","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H28 Ce N10 O16 Ru -","- C44 H28 Ce N10 O16 Ru -","- C88 H56 Ce2 N20 O32 Ru2 -","2","1","","Yu, Yong-Hui; Huang, Sheng-Li; Yang, Guo-Yu","[Ru(NꓥNꓥN)2-Ce]-based Framework for Photocatalytic Sulfide Oxidation and Hydrogen Production","CrystEngComm","2022","","","","","10.1039/D2CE00397J","","","0.71073","MoKα","","0.1117","0.0712","","","0.2057","0.2311","","","","","","1.068","","","","has coordinates","274499","2022-04-12","22:40:00",""
"7244769","9.7605","0.0006","24.3058","0.0016","13.4017","0.0009","90","","106.527","0.001","90","","3048","0.3","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H18 Cu N4 O11 S2 U -","- C30 H18 Cu N4 O11 S2 U -","- C120 H72 Cu4 N16 O44 S8 U4 -","4","1","","He, Pei-Pei; Xu, Qiao-Yan; Li, Shao-Heng; Wei, Su-Mu; Li, Hao-Hong","Luminescent Uranium-Thiophene Dicarboxylate Frameworks Supported by Transition-Metal-Organic Cations: Dimensionality and Luminescence Control in Uranyl Speciation","CrystEngComm","2022","","","","","10.1039/D2CE00368F","","","0.71073","MoKα","","0.0441","0.0347","","","0.0895","0.0927","","","","","","1.303","","","","has coordinates","274500","2022-04-12","22:40:53",""
"7244770","13.935","0.003","15.908","0.003","18.26","0.004","102.65","0.03","112.21","0.03","104.07","0.03","3410.3","1.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H32 N6 O26 S4 U2 Zn -","- C60 H32 N6 O26 S4 U2 Zn -","- C120 H64 N12 O52 S8 U4 Zn2 -","2","1","","He, Pei-Pei; Xu, Qiao-Yan; Li, Shao-Heng; Wei, Su-Mu; Li, Hao-Hong","Luminescent Uranium-Thiophene Dicarboxylate Frameworks Supported by Transition-Metal-Organic Cations: Dimensionality and Luminescence Control in Uranyl Speciation","CrystEngComm","2022","","","","","10.1039/D2CE00368F","","","0.71073","MoKα","","0.0502","0.0339","","","0.0899","0.103","","","","","","1.043","","","","has coordinates","274500","2022-04-12","22:40:53",""
"7244771","16.3215","0.0014","17.453","0.0015","18.0785","0.0015","90","","90","","90","","5149.8","0.8","296","2","296","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C50 H28 Cd N6 O18 S2 U2 -","- C50 H28 Cd N6 O18 S2 U2 -","- C200 H112 Cd4 N24 O72 S8 U8 -","4","0.5","","He, Pei-Pei; Xu, Qiao-Yan; Li, Shao-Heng; Wei, Su-Mu; Li, Hao-Hong","Luminescent Uranium-Thiophene Dicarboxylate Frameworks Supported by Transition-Metal-Organic Cations: Dimensionality and Luminescence Control in Uranyl Speciation","CrystEngComm","2022","","","","","10.1039/D2CE00368F","","","0.71073","MoKα","","0.0499","0.0311","","","0.0657","0.0717","","","","","","1.024","","","","has coordinates","274500","2022-04-12","22:40:54",""
"7244772","7.493","0.0004","13.8284","0.001","15.4815","0.0013","108.781","0.007","101.858","0.006","105.672","0.006","1385","0.2","99.9","0.3","99.9","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C34 H28 F3 N O6 -","- C34 H28 F3 N O6 -","- C68 H56 F6 N2 O12 -","2","1","","Matsuhashi, Chihiro; Oyama, Hironaga; Uekusa, Hidehiro; Sato-Tomita, Ayana; Ichiyanagi, Kouhei; Maki, Shojiro A.; Hirano, Takashi","Crystalline-state chemiluminescence reactions of two-fluorophore-linked adamantylideneadamantane 1,2-dioxetane isomers accompanied by solid-to-solid phase transitions","CrystEngComm","2022","","","","","10.1039/D2CE00266C","","x-ray","0.71073","MoKα","","0.0849","0.0645","","","0.1607","0.1732","","","","","","1.054","","","","has coordinates,has disorder","274501","2022-04-12","22:41:35",""
"7244773","28.409","0.015","17.899","0.006","12.633","0.005","90","","101.158","0.018","90","","6302","5","95","2","95","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H56 F6 N2 O12 -","- C68 H56 F6 N2 O12 -","- C272 H224 F24 N8 O48 -","4","1","","Matsuhashi, Chihiro; Oyama, Hironaga; Uekusa, Hidehiro; Sato-Tomita, Ayana; Ichiyanagi, Kouhei; Maki, Shojiro A.; Hirano, Takashi","Crystalline-state chemiluminescence reactions of two-fluorophore-linked adamantylideneadamantane 1,2-dioxetane isomers accompanied by solid-to-solid phase transitions","CrystEngComm","2022","","","","","10.1039/D2CE00266C","","","0.75","synchrotron","","0.1066","0.0747","","","0.2014","0.223","","","","","","1.025","","","","has coordinates","274501","2022-04-12","22:41:37",""
"7244774","13.4405","0.0003","16.5001","0.0004","14.9111","0.0003","90","","90","","90","","3306.83","0.13","130","","130","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C12.5 H12 Cd N6 O7.5 -","- C12.5 H12 Cd N6 O7.5 -","- C100 H96 Cd8 N48 O60 -","8","1","","Mitoraj, Mariusz Paweł; Mahmoudi, Ghodrat; Akbari Afkhami, Farhad; Khandar, AliAkbar; White, Jonathan; Maniukiewicz, Waldemar; Babashkina, Maria G.; Sagan, Filip; Safin, Damir","Coordination polymers fabricated from Cd(NO3)2 and N,N',O-pincer type isonicotinoylhydrazone based polytopyc ligands – an insight from experimental and theoretical investigations","CrystEngComm","2022","","","","","10.1039/D2CE00294A","","","1.5418","CuKα","","0.0547","0.0411","","","0.1059","0.1182","","","","","","1.028","","","","has coordinates,has disorder","274514","2022-04-13","22:39:56",""
"7244775","8.3201","0.0004","12.4952","0.0006","18.8596","0.0009","90","","96.139","0.002","90","","1949.43","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 Cd N6 O8 -","- C15 H18 Cd N6 O8 -","- C60 H72 Cd4 N24 O32 -","4","1","","Mitoraj, Mariusz Paweł; Mahmoudi, Ghodrat; Akbari Afkhami, Farhad; Khandar, AliAkbar; White, Jonathan; Maniukiewicz, Waldemar; Babashkina, Maria G.; Sagan, Filip; Safin, Damir","Coordination polymers fabricated from Cd(NO3)2 and N,N',O-pincer type isonicotinoylhydrazone based polytopyc ligands – an insight from experimental and theoretical investigations","CrystEngComm","2022","","","","","10.1039/D2CE00294A","","","0.71073","MoKα","","0.0672","0.0534","","","0.1525","0.1597","","","","","","1.062","","","","has coordinates,has disorder","274514","2022-04-13","22:39:57",""
"7244776","10.4146","0.0003","8.9125","0.0003","16.3565","0.0005","90","","103","0.001","90","","1479.3","0.08","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 Cd N5 O4 -","- C13 H11 Cd N5 O4 -","- C52 H44 Cd4 N20 O16 -","4","1","","Mitoraj, Mariusz Paweł; Mahmoudi, Ghodrat; Akbari Afkhami, Farhad; Khandar, AliAkbar; White, Jonathan; Maniukiewicz, Waldemar; Babashkina, Maria G.; Sagan, Filip; Safin, Damir","Coordination polymers fabricated from Cd(NO3)2 and N,N',O-pincer type isonicotinoylhydrazone based polytopyc ligands – an insight from experimental and theoretical investigations","CrystEngComm","2022","","","","","10.1039/D2CE00294A","","","0.71073","MoKα","","0.0287","0.0213","","","0.049","0.0522","","","","","","1.056","","","","has coordinates","274514","2022-04-13","22:39:57",""
"7244777","12.8983","0.0013","13.4856","0.0014","16.2197","0.0017","113.259","0.002","91.93","0.002","115.225","0.001","2274.5","0.4","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- Ca3 K5 Mo6 Na O49 P4 -","- Ca3 K5 Mo6 Na O49 P4 -","- Ca6 K10 Mo12 Na2 O98 P8 -","2","1","","Hua, Jiai; Wei, Xueman; Bian, Yujian; Ma, Xiang; Hao, Li; Sun, Jierui; Fan, Jingjing; Niu, Yulan; Wang, Yanqing","A nanoscale polymolybdate built by two hexavacant Keggin-type fragments via a novel {Ca6P6O38} cluster with β-sheet conformation modulation ability","CrystEngComm","2022","","","","","10.1039/D2CE00215A","","","0.71073","MoKα","","0.0397","0.0344","","","0.0878","0.0931","","","","","","1.062","","","","has coordinates","274515","2022-04-13","22:40:31",""
"7244778","10.701","0.0007","15.5677","0.0009","18.8482","0.0009","90","","90","","90","","3139.9","0.3","80","2","80","2","","","","","","","","6","F 2 2 2","F 2 2","22","","","","- C28 H28 B2 Fe N6 O2 -","- C28 H18 B2 Fe N6 O2 -","- C112 H72 B8 Fe4 N24 O8 -","4","0.25","","Wu, Wei-Wei; Ruan, Ze-Yu; Shi, Chen-Guang; Mai, Jin-Tao; Cui, Wen; Ni, Zhao-Ping; Wu, Si-Guo; Tong, Ming-Liang","2D/3D spin crossover porous coordination polymers based on isomeric tetrapyridyl benzene ligands","CrystEngComm","2022","","","","","10.1039/D2CE00445C","","x-ray","0.71073","MoKα","","0.0533","0.0469","","","0.1179","0.1216","","","","","","1.08","","","","has coordinates,has disorder","274535","2022-04-14","22:40:49",""
"7244779","12.425","0.0003","16.2282","0.0004","9.68021","0.00019","90","","90","","90","","1951.87","0.08","298","2","298","2","","","","","","","","6","C m m m","-C 2 2","65","","","","- C39 H34 B30 Fe N6 S -","- C28 H23 B2 Fe N6 -","- C56 H46 B4 Fe2 N12 -","2","0.125","","Wu, Wei-Wei; Ruan, Ze-Yu; Shi, Chen-Guang; Mai, Jin-Tao; Cui, Wen; Ni, Zhao-Ping; Wu, Si-Guo; Tong, Ming-Liang","2D/3D spin crossover porous coordination polymers based on isomeric tetrapyridyl benzene ligands","CrystEngComm","2022","","","","","10.1039/D2CE00445C","","x-ray","1.54184","CuKα","","0.0584","0.058","","","0.1721","0.1726","","","","","","1.235","","","","has coordinates,has disorder","274535","2022-04-14","22:40:49",""
"7244780","12.0275","0.0009","15.8838","0.0011","9.5912","0.0006","90","","90","","90","","1832.3","0.2","120","2","120","2","","","","","","","","6","C m m m","-C 2 2","65","","","","- C39 H34 B2 Fe N6 S -","- C28 H24 B2 Fe N6 -","- C56 H48 B4 Fe2 N12 -","2","0.125","","Wu, Wei-Wei; Ruan, Ze-Yu; Shi, Chen-Guang; Mai, Jin-Tao; Cui, Wen; Ni, Zhao-Ping; Wu, Si-Guo; Tong, Ming-Liang","2D/3D spin crossover porous coordination polymers based on isomeric tetrapyridyl benzene ligands","CrystEngComm","2022","","","","","10.1039/D2CE00445C","","x-ray","1.54184","CuKα","","0.0566","0.0562","","","0.1646","0.1653","","","","","","1.135","","","","has coordinates,has disorder","274535","2022-04-14","22:40:50",""
"7244781","11.012","0.004","15.769","0.005","18.997","0.006","90","","90","","90","","3298.8","1.9","250","2","250","2","","","","","","","","6","F 2 2 2","F 2 2","22","","","","- C28 H28 B2 Fe N6 O2 -","- C28 H18 B2 Fe N6 O2 -","- C112 H72 B8 Fe4 N24 O8 -","4","0.25","","Wu, Wei-Wei; Ruan, Ze-Yu; Shi, Chen-Guang; Mai, Jin-Tao; Cui, Wen; Ni, Zhao-Ping; Wu, Si-Guo; Tong, Ming-Liang","2D/3D spin crossover porous coordination polymers based on isomeric tetrapyridyl benzene ligands","CrystEngComm","2022","","","","","10.1039/D2CE00445C","","","0.71073","MoKα","","0.0403","0.0377","","","0.1037","0.1061","","","","","","1.066","","","","has coordinates,has disorder","274535","2022-04-14","22:40:50",""
"7244791","11.4076","0.0004","11.4418","0.0005","11.4575","0.0004","82.116","0.003","70.323","0.003","62.123","0.004","1244.37","0.1","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H16 O -","- C10 H16 O -","- C60 H96 O6 -","6","3","","Salvatori, Alejandro; Négrier, Philippe; Massip, Stephane; Munoz-Duque, Antoni; Lloveras, Pol; Barrio, Maria; Tamarit, Josep Lluis","Polymorphism and Solid-Solid Phase Transitions of Hydrogen Bonded 2-adamantanol and 2-methyl-2-adamantanol Compounds","CrystEngComm","2022","","","","","10.1039/D2CE00324D","","","1.54184","CuKα","","0.0489","0.0465","","","0.1334","0.1359","","","","","","1.038","","","","has coordinates","274563","2022-04-18","22:38:11",""
"7244792","18.7366","0.0002","9.0758","0.0001","21.2147","0.0002","90","","90","","90","","3607.55","0.06","130","2","130","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C11 H18 O -","- C11 H18 O -","- C176 H288 O16 -","16","2","","Salvatori, Alejandro; Négrier, Philippe; Massip, Stephane; Munoz-Duque, Antoni; Lloveras, Pol; Barrio, Maria; Tamarit, Josep Lluis","Polymorphism and Solid-Solid Phase Transitions of Hydrogen Bonded 2-adamantanol and 2-methyl-2-adamantanol Compounds","CrystEngComm","2022","","","","","10.1039/D2CE00324D","","","1.54184","CuKα","","0.0379","0.0361","","","0.0995","0.1016","","","","","","1.038","","","","has coordinates","274563","2022-04-18","22:38:12",""
"7244793","11.577","0.0005","11.5948","0.0005","11.5876","0.0004","81.718","0.003","70.661","0.003","61.489","0.004","1289.5","0.11","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H16 O -","- C10 H16 O -","- C60 H96 O6 -","6","3","","Salvatori, Alejandro; Négrier, Philippe; Massip, Stephane; Munoz-Duque, Antoni; Lloveras, Pol; Barrio, Maria; Tamarit, Josep Lluis","Polymorphism and Solid-Solid Phase Transitions of Hydrogen Bonded 2-adamantanol and 2-methyl-2-adamantanol Compounds","CrystEngComm","2022","","","","","10.1039/D2CE00324D","","","1.54184","CuKα","","0.071","0.0655","","","0.1791","0.1836","","","","","","1.009","","","","has coordinates,has disorder","274563","2022-04-18","22:38:12",""
"7244794","18.9657","0.0005","9.2178","0.0002","21.3293","0.0004","90","","90","","90","","3728.83","0.15","345","2","345","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C11 H18 O -","- C11 H18 O -","- C176 H288 O16 -","16","2","","Salvatori, Alejandro; Négrier, Philippe; Massip, Stephane; Munoz-Duque, Antoni; Lloveras, Pol; Barrio, Maria; Tamarit, Josep Lluis","Polymorphism and Solid-Solid Phase Transitions of Hydrogen Bonded 2-adamantanol and 2-methyl-2-adamantanol Compounds","CrystEngComm","2022","","","","","10.1039/D2CE00324D","","","1.54184","CuKα","","0.059","0.0508","","","0.1607","0.1707","","","","","","1.088","","","","has coordinates","274563","2022-04-18","22:38:12",""
"7244795","18.9092","0.0001","9.1761","0.0001","21.2981","0.0002","90","","90","","90","","3695.49","0.06","293","2","293","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C11 H18 O -","- C11 H18 O -","- C176 H288 O16 -","16","2","","Salvatori, Alejandro; Négrier, Philippe; Massip, Stephane; Munoz-Duque, Antoni; Lloveras, Pol; Barrio, Maria; Tamarit, Josep Lluis","Polymorphism and Solid-Solid Phase Transitions of Hydrogen Bonded 2-adamantanol and 2-methyl-2-adamantanol Compounds","CrystEngComm","2022","","","","","10.1039/D2CE00324D","","","1.54184","CuKα","","0.0391","0.0368","","","0.1089","0.1113","","","","","","1.08","","","","has coordinates","274563","2022-04-18","22:38:12",""
"7244796","11.716","0.002","20.381","0.008","11.709","0.007","90","","109.58","0.03","90","","2634","2","330","","330","1","","","","","","","","3","C 1 2/m 1","-C 2y","12","2-Adamantanol","","","- C10 H16 O -","- C10 H16 O -","- C120 H192 O12 -","12","1.5","","Salvatori, Alejandro; Négrier, Philippe; Massip, Stephane; Munoz-Duque, Antoni; Lloveras, Pol; Barrio, Maria; Tamarit, Josep Lluis","Polymorphism and Solid-Solid Phase Transitions of Hydrogen Bonded 2-adamantanol and 2-methyl-2-adamantanol Compounds","CrystEngComm","2022","","","","","10.1039/D2CE00324D","","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","274563","2022-04-18","22:38:12",""
"7244797","8.7701","0.0005","14.3922","0.0008","18.8489","0.001","78.414","0.003","79.587","0.003","72.876","0.003","2208.5","0.2","193","2","193","","","","","","","","","5","P -1","-P 1","2","","","","- C49.5 H46 N14 O9.5 Zn -","- C46 H32 N14 O6 Zn -","- C92 H64 N28 O12 Zn2 -","2","1","","huang, ziqing; Chen, Jia-Qi; Zhao, Shu-Man; Qiu, Zhao-Feng; Zhao, Yue; Sun, Wei-Yin","Supramolecular assemblies of Zn(II) complexes with D-π-A ligand for sensing specific organic molecules","CrystEngComm","2022","","","","","10.1039/D2CE00452F","","","1.34139","GaKα","","0.0781","0.057","","","0.1656","0.1792","","","","","","1.069","","","","has coordinates,has disorder","274564","2022-04-18","22:39:23",""
"7244798","9.0484","0.0005","11.1794","0.0007","12.8727","0.0007","80.467","0.003","80.137","0.002","77.54","0.003","1241.43","0.12","193","","193","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H20 N7 O4 Zn -","- C30 H20 N7 O4 Zn -","- C60 H40 N14 O8 Zn2 -","2","1","","huang, ziqing; Chen, Jia-Qi; Zhao, Shu-Man; Qiu, Zhao-Feng; Zhao, Yue; Sun, Wei-Yin","Supramolecular assemblies of Zn(II) complexes with D-π-A ligand for sensing specific organic molecules","CrystEngComm","2022","","","","","10.1039/D2CE00452F","","","1.34139","GaKα","","0.0427","0.0371","","","0.0974","0.1005","","","","","","1.055","","","","has coordinates","274564","2022-04-18","22:39:23",""
"7244799","9.2514","0.0017","12.824","0.002","16.624","0.003","68.187","0.006","82.616","0.007","80.538","0.006","1801.2","0.5","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C39.5 H32.5 N9.5 O5.5 Zn -","- C35 H22 N8 O4 Zn -","- C70 H44 N16 O8 Zn2 -","2","1","","huang, ziqing; Chen, Jia-Qi; Zhao, Shu-Man; Qiu, Zhao-Feng; Zhao, Yue; Sun, Wei-Yin","Supramolecular assemblies of Zn(II) complexes with D-π-A ligand for sensing specific organic molecules","CrystEngComm","2022","","","","","10.1039/D2CE00452F","","","0.71073","MoKα","","0.0823","0.0578","","","0.14","0.155","","","","","","1.018","","","","has coordinates,has disorder","274564","2022-04-18","22:39:23",""
"7244800","6.2266","0.0009","7.1344","0.0007","14.1593","0.0015","97.548","0.009","90.802","0.011","94.115","0.01","621.77","0.13","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H31 N6 O8 S2 -","- C24 H31 N6 O8 S2 -","- C24 H31 N6 O8 S2 -","1","0.5","","Qin, Shu-Qin; Gan, Qian-Ying; Xu, Wei; Jiang, Ren-Wang","Hybrid interaction network of guanidinium-biphenyldisulfonic acid for the structure determination of liquid molecules","CrystEngComm","2022","","","","","10.1039/D2CE00228K","","x-ray","0.71073","MoKα","","0.0903","0.0789","","","0.2101","0.222","","","","","","1.074","","","","has coordinates,has disorder","274566","2022-04-18","22:41:43",""
"7244801","7.4141","0.0003","12.8303","0.0007","15.1362","0.0009","69.146","0.005","86.884","0.004","77","0.004","1310.5","0.13","149.99","0.1","149.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C22 H28 N6 O8 S2 -","- C22 H28 N6 O8 S2 -","- C44 H56 N12 O16 S4 -","2","1","","Qin, Shu-Qin; Gan, Qian-Ying; Xu, Wei; Jiang, Ren-Wang","Hybrid interaction network of guanidinium-biphenyldisulfonic acid for the structure determination of liquid molecules","CrystEngComm","2022","","","","","10.1039/D2CE00228K","","x-ray","1.54184","CuKα","","0.0367","0.0334","","","0.093","0.0953","","","","","","1.046","","","","has coordinates","274566","2022-04-18","22:41:44",""
"7244802","7.6608","0.0005","10.915","0.0007","27.573","0.002","90","","94.659","0.007","90","","2298","0.3","100","0.2","100","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H56 N6 O9 S2 -","- C44 H56 N6 O9 S2 -","- C88 H112 N12 O18 S4 -","2","0.5","","Qin, Shu-Qin; Gan, Qian-Ying; Xu, Wei; Jiang, Ren-Wang","Hybrid interaction network of guanidinium-biphenyldisulfonic acid for the structure determination of liquid molecules","CrystEngComm","2022","","","","","10.1039/D2CE00228K","","x-ray","0.71073","MoKα","","0.089","0.0777","","","0.177","0.1823","","","","","","1.189","","","","has coordinates,has disorder","274566","2022-04-18","22:41:44",""
"7244803","39.275","0.009","12.1367","0.0013","7.323","0.0009","90","","90","","90","","3490.6","1","99.97","0.14","99.97","0.14","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C24 H39 N6 O7 S2 -","- C24 H38 N6 O7 S2 -","- C96 H152 N24 O28 S8 -","4","1","","Qin, Shu-Qin; Gan, Qian-Ying; Xu, Wei; Jiang, Ren-Wang","Hybrid interaction network of guanidinium-biphenyldisulfonic acid for the structure determination of liquid molecules","CrystEngComm","2022","","","","","10.1039/D2CE00228K","","x-ray","1.54184","CuKα","","0.1755","0.1514","","","0.381","0.4012","","","","","","1.065","","","","has coordinates","274566","2022-04-18","22:41:44",""
"7244804","11.99","0.0009","26.883","0.002","7.3973","0.0006","90","","92.394","0.007","90","","2382.3","0.3","149.99","0.1","149.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H28 N6 O8 S2 -","- C16 H28 N6 O8 S2 -","- C64 H112 N24 O32 S8 -","4","1","","Qin, Shu-Qin; Gan, Qian-Ying; Xu, Wei; Jiang, Ren-Wang","Hybrid interaction network of guanidinium-biphenyldisulfonic acid for the structure determination of liquid molecules","CrystEngComm","2022","","","","","10.1039/D2CE00228K","","x-ray","0.71073","MoKα","","0.0856","0.0613","","","0.1364","0.1501","","","","","","1.05","","","","has coordinates","274566","2022-04-18","22:41:44",""
"7244805","6.1959","0.0003","7.1931","0.0003","14.6132","0.0006","101.192","0.004","90.032","0.004","93.056","0.004","637.94","0.05","149.99","0.1","150.15","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H34 N6 O8 S2 -","- C25 H34 N6 O8 S2 -","- C25 H34 N6 O8 S2 -","1","0.5","","Qin, Shu-Qin; Gan, Qian-Ying; Xu, Wei; Jiang, Ren-Wang","Hybrid interaction network of guanidinium-biphenyldisulfonic acid for the structure determination of liquid molecules","CrystEngComm","2022","","","","","10.1039/D2CE00228K","","","1.54184","CuKα","","0.1003","0.0959","","","0.2744","0.2836","","","","","","1.331","","","","has coordinates,has disorder","274566","2022-04-18","22:41:45",""
"7244806","8.3016","0.0002","11.7965","0.0003","30.4956","0.0006","90","","95.177","0.002","90","","2974.25","0.12","149.99","0.1","149.99","0.1","","","","","","","","5","I 1 a 1","I -2ya","9","","","","- C22 H35 N7 O8 S2 -","- C22 H35 N7 O8 S2 -","- C88 H140 N28 O32 S8 -","4","1","","Qin, Shu-Qin; Gan, Qian-Ying; Xu, Wei; Jiang, Ren-Wang","Hybrid interaction network of guanidinium-biphenyldisulfonic acid for the structure determination of liquid molecules","CrystEngComm","2022","","","","","10.1039/D2CE00228K","","x-ray","1.54184","CuKα","","0.0406","0.0397","","","0.1048","0.1066","","","","","","1.047","","","","has coordinates","274566","2022-04-18","22:41:45",""
"7244807","12.5276","0.0008","24.5907","0.0016","28.4358","0.0019","90","","90","","90","","8760","1","149.99","0.1","149.99","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H24 N3 O6 S -","- C19 H24 N3 O6 S -","- C304 H384 N48 O96 S16 -","16","2","","Qin, Shu-Qin; Gan, Qian-Ying; Xu, Wei; Jiang, Ren-Wang","Hybrid interaction network of guanidinium-biphenyldisulfonic acid for the structure determination of liquid molecules","CrystEngComm","2022","","","","","10.1039/D2CE00228K","","x-ray","1.54184","CuKα","","0.1097","0.0688","","","0.1618","0.1961","","","","","","1.055","","","","has coordinates","274566","2022-04-18","22:41:45",""
"7244808","12.4527","0.0002","13.4693","0.0003","26.9148","0.0005","90","","90","","90","","4514.4","0.15","149.99","0.1","149.99","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H32 N3 O5 S -","- C19 H32 N3 O5 S -","- C152 H256 N24 O40 S8 -","8","2","","Qin, Shu-Qin; Gan, Qian-Ying; Xu, Wei; Jiang, Ren-Wang","Hybrid interaction network of guanidinium-biphenyldisulfonic acid for the structure determination of liquid molecules","CrystEngComm","2022","","","","","10.1039/D2CE00228K","","x-ray","1.54184","CuKα","","0.0456","0.0402","","","0.1108","0.1139","","","","","","1.067","","","","has coordinates","274566","2022-04-18","22:41:45",""
"7244809","8.4629","0.0003","7.7277","0.0003","24.8938","0.0007","90","","95.196","0.003","90","","1621.33","0.1","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4 O8 Pd -","- C56 H48 N16 O32 Pd4 -","4","1","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.0617","0.0393","","","0.069","0.078","","","","","","1.019","","","","has coordinates","274586","2022-04-19","22:49:03",""
"7244810","8.518","0.0003","7.8123","0.0003","24.9061","0.0007","90","","93.882","0.003","90","","1653.58","0.1","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4 O8 Pd -","- C56 H48 N16 O32 Pd4 -","4","1","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.0776","0.0477","","","0.0864","0.1006","","","","","","1.047","","","","has coordinates,has disorder","274586","2022-04-19","22:49:04",""
"7244811","8.5132","0.0003","7.8036","0.0003","24.9137","0.0007","90","","93.876","0.003","90","","1651.32","0.1","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4 O8 Pd -","- C56 H48 N16 O32 Pd4 -","4","1","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.0781","0.0498","","","0.0849","0.0968","","","","","","1.036","","","","has coordinates,has disorder","274586","2022-04-19","22:49:04",""
"7244812","8.5069","0.0004","7.7879","0.0003","24.9206","0.0008","90","","93.898","0.004","90","","1647.19","0.11","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4 O8 Pd -","- C56 H48 N16 O32 Pd4 -","4","1","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.0827","0.0511","","","0.0952","0.111","","","","","","1.036","","","","has coordinates,has disorder","274586","2022-04-19","22:49:04",""
"7244813","8.5145","0.0003","7.8127","0.0003","24.8999","0.0006","90","","93.874","0.003","90","","1652.59","0.1","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4 O8 Pd -","- C56 H48 N16 O32 Pd4 -","4","1","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.0642","0.0435","","","0.0823","0.0917","","","","","","1.024","","","","has coordinates,has disorder","274586","2022-04-19","22:49:04",""
"7244814","8.5546","0.0003","7.8266","0.0003","24.9175","0.0007","90","","93.834","0.003","90","","1664.58","0.1","190","2","190","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4 O8 Pd -","- C56 H48 N16 O32 Pd4 -","4","1","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.0699","0.0469","","","0.0891","0.0996","","","","","","1.04","","","","has coordinates,has disorder","274586","2022-04-19","22:49:04",""
"7244815","8.5347","0.0003","7.8187","0.0002","24.903","0.0006","90","","93.842","0.003","90","","1658.05","0.08","170","2","170","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4 O8 Pd -","- C56 H48 N16 O32 Pd4 -","4","1","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.067","0.044","","","0.0842","0.0958","","","","","","1.033","","","","has coordinates,has disorder","274586","2022-04-19","22:49:04",""
"7244816","8.5779","0.0006","7.7998","0.0004","24.9321","0.001","90","","94.153","0.005","90","","1663.72","0.16","230","2","230","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4 O8 Pd -","- C56 H48 N16 O32 Pd4 -","4","1","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.1006","0.0666","","","0.1446","0.1714","","","","","","1.036","","","","has coordinates,has disorder","274586","2022-04-19","22:49:04",""
"7244817","8.5278","0.0003","7.7446","0.0003","24.9228","0.0008","90","","95.023","0.003","90","","1639.69","0.1","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4 O8 Pd -","- C56 H48 N16 O32 Pd4 -","4","1","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.0609","0.0382","","","0.0709","0.0804","","","","","","1.033","","","","has coordinates,has disorder","274586","2022-04-19","22:49:04",""
"7244818","8.5788","0.0004","7.8253","0.0003","24.9355","0.0007","90","","93.907","0.003","90","","1670.07","0.11","220","2","220","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4 O8 Pd -","- C56 H48 N16 O32 Pd4 -","4","1","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.078","0.049","","","0.0919","0.1076","","","","","","1.037","","","","has coordinates,has disorder","274586","2022-04-19","22:49:04",""
"7244819","8.5709","0.0003","7.83","0.0003","24.9295","0.0007","90","","93.868","0.003","90","","1669.21","0.1","210","2","210","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4 O8 Pd -","- C56 H48 N16 O32 Pd4 -","4","1","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.0718","0.047","","","0.0858","0.0979","","","","","","1.045","","","","has coordinates,has disorder","274586","2022-04-19","22:49:05",""
"7244820","8.5365","0.0004","7.7574","0.0003","24.9435","0.0009","90","","94.614","0.004","90","","1646.43","0.12","199","2","199","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4 O8 Pd -","- C56 H48 N16 O32 Pd4 -","4","1","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.0698","0.0422","","","0.0748","0.0871","","","","","","1.028","","","","has coordinates,has disorder","274586","2022-04-19","22:49:05",""
"7244821","8.5713","0.0005","7.8306","0.0004","24.9557","0.0013","90","","93.877","0.005","90","","1671.15","0.16","199","2","199","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4 O8 Pd -","- C56 H48 N16 O32 Pd4 -","4","1","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.0999","0.0506","","","0.0887","0.1079","","","","","","1.001","","","","has coordinates,has disorder","274586","2022-04-19","22:49:05",""
"7244822","8.56","0.0005","7.7921","0.0003","24.965","0.0011","90","","93.916","0.004","90","","1661.29","0.14","199","2","199","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4.001 O8.002 Pd -","- C56 H48 N16.004 O32.008 Pd4 -","4","1","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.0873","0.0465","","","0.0789","0.0965","","","","","","1.028","","","","has coordinates,has disorder","274586","2022-04-19","22:49:05",""
"7244823","8.5715","0.0004","7.848","0.0004","24.9357","0.0013","90","","93.9","0.005","90","","1673.52","0.15","199","2","199","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4 O8 Pd -","- C56 H48 N16 O32 Pd4 -","4","1","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.0918","0.0482","","","0.0801","0.0956","","","","","","1.014","","","","has coordinates,has disorder","274586","2022-04-19","22:49:05",""
"7244824","8.5491","0.0005","7.7738","0.0003","24.9629","0.0009","90","","94.133","0.004","90","","1654.69","0.13","199","2","199","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4 O8 Pd -","- C56 H48 N16 O32 Pd4 -","4","1","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.0804","0.0441","","","0.0735","0.0872","","","","","","1.046","","","","has coordinates,has disorder","274586","2022-04-19","22:49:05",""
"7244825","8.5858","0.0004","7.7514","0.0003","24.944","0.0009","90","","94.872","0.004","90","","1654.07","0.12","250","2","250","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4 O8 Pd -","- C56 H48 N16 O32 Pd4 -","4","1","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.0703","0.0408","","","0.0701","0.081","","","","","","1.005","","","","has coordinates,has disorder","274586","2022-04-19","22:49:05",""
"7244826","8.5678","0.0004","7.8189","0.0003","24.9575","0.0011","90","","93.857","0.004","90","","1668.14","0.13","199","2","199","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4 O8 Pd -","- C56 H48 N16 O32 Pd4 -","4","1","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.0927","0.0491","","","0.0834","0.103","","","","","","1.036","","","","has coordinates,has disorder","274586","2022-04-19","22:49:05",""
"7244827","8.575","0.0004","7.7508","0.0003","24.9403","0.0009","90","","94.906","0.004","90","","1651.54","0.12","240","2","240","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4 O8 Pd -","- C56 H48 N16 O32 Pd4 -","4","1","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.0676","0.0401","","","0.0721","0.0833","","","","","","1.017","","","","has coordinates,has disorder","274586","2022-04-19","22:49:05",""
"7244828","8.5676","0.0004","7.8399","0.0004","24.9457","0.0012","90","","93.91","0.005","90","","1671.68","0.14","199","2","199","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4 O8 Pd -","- C56 H48 N16 O32 Pd4 -","4","1","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.0939","0.0498","","","0.0836","0.0998","","","","","","1.023","","","","has coordinates,has disorder","274586","2022-04-19","22:49:05",""
"7244829","8.5737","0.0004","7.7572","0.0003","24.9303","0.0008","90","","94.731","0.004","90","","1652.41","0.11","240","2","240","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4 O8 Pd -","- C56 H48 N16 O32 Pd4 -","4","1","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.0604","0.0403","","","0.0805","0.0922","","","","","","1.049","","","","has coordinates,has disorder","274586","2022-04-19","22:49:05",""
"7244830","8.577","0.0005","7.8445","0.0003","24.9399","0.001","90","","93.926","0.004","90","","1674.08","0.13","209","2","209","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4.001 O8.002 Pd -","- C56 H48 N16.004 O32.008 Pd4 -","4","1","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.0867","0.048","","","0.0724","0.0865","","","","","","1.04","","","","has coordinates,has disorder","274586","2022-04-19","22:49:05",""
"7244831","8.5713","0.0007","7.7639","0.0005","24.9495","0.0017","90","","94.672","0.006","90","","1654.8","0.2","209","2","209","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4.001 O8.002 Pd -","- C56 H48 N16.004 O32.008 Pd4 -","4","1","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.0983","0.0582","","","0.102","0.1309","","","","","","1.04","","","","has coordinates,has disorder","274586","2022-04-19","22:49:05",""
"7244832","8.5861","0.0004","7.7599","0.0003","24.9514","0.0009","90","","94.697","0.004","90","","1656.86","0.12","254","2","254","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4 O8 Pd -","- C56 H48 N16 O32 Pd4 -","4","1","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.0769","0.0448","","","0.0739","0.0868","","","","","","0.985","","","","has coordinates,has disorder","274586","2022-04-19","22:49:05",""
"7244833","8.5782","0.0006","7.8203","0.0004","24.9405","0.0012","90","","94.01","0.005","90","","1669.01","0.17","209","2","209","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4 O8 Pd -","- C56 H48 N16 O32 Pd4 -","4","1","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.108","0.0593","","","0.1033","0.134","","","","","","1.025","","","","has coordinates,has disorder","274586","2022-04-19","22:49:05",""
"7244834","8.5838","0.0006","7.7813","0.0004","24.9696","0.0014","90","","94.306","0.006","90","","1663.09","0.17","240","2","240","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4 O8 Pd -","- C56 H48 N16 O32 Pd4 -","4","1","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.0954","0.0522","","","0.0775","0.0957","","","","","","0.984","","","","has coordinates,has disorder","274586","2022-04-19","22:49:05",""
"7244835","8.5886","0.0005","7.8448","0.0003","24.9572","0.0012","90","","93.919","0.004","90","","1677.58","0.14","220","2","220","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4.001 O8.002 Pd -","- C56 H48 N16.004 O32.008 Pd4 -","4","1","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.0916","0.0491","","","0.0791","0.0951","","","","","","1.026","","","","has coordinates,has disorder","274586","2022-04-19","22:49:05",""
"7244836","8.5727","0.0005","7.8506","0.0004","24.9331","0.0013","90","","93.899","0.005","90","","1674.13","0.16","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4.001 O8.002 Pd -","- C56 H48 N16.004 O32.008 Pd4 -","4","1","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.0903","0.0492","","","0.0779","0.0938","","","","","","1.034","","","","has coordinates,has disorder","274586","2022-04-19","22:49:05",""
"7244837","3.801","0.0002","5.8557","0.0003","27.5948","0.0012","90","","93.72","0.004","90","","612.9","0.05","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bpy4dc","dimethyl 2,2'-bipyridine-4,4'-dicarboxylate","","- C14 H12 N2 O4 -","- C14 H12 N2 O4 -","- C28 H24 N4 O8 -","2","0.5","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.0491","0.0424","","","0.1066","0.1118","","","","","","1.069","","","","has coordinates","274587","2022-04-19","22:49:46",""
"7244838","8.458","0.003","13.861","0.004","15.612","0.005","63.83","0.03","83.71","0.03","79.31","0.03","1613.4","1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4 O8 Pd -","- C56 H48 N16 O32 Pd4 -","4","2","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.2688","0.1242","","","0.3002","0.3641","","","","","","0.905","","","","has coordinates,has disorder","274587","2022-04-19","22:49:46",""
"7244839","8.4584","0.0018","13.867","0.003","15.643","0.004","63.83","0.02","83.51","0.018","79.336","0.016","1617.3","0.7","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4 O8 Pd -","- C56 H48 N16 O32 Pd4 -","4","2","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.2212","0.1107","","","0.2895","0.3512","","","","","","0.938","","","","has coordinates,has disorder","274587","2022-04-19","22:49:46",""
"7244840","8.457","0.0017","13.863","0.002","15.648","0.004","63.84","0.02","83.505","0.018","79.366","0.016","1617.3","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4 O8 Pd -","- C56 H48 N16 O32 Pd4 -","4","2","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.2209","0.1072","","","0.2855","0.3464","","","","","","0.92","","","","has coordinates,has disorder","274587","2022-04-19","22:49:46",""
"7244841","8.4976","0.0009","13.812","0.002","15.5449","0.0019","63.761","0.014","82.994","0.009","78.512","0.011","1602.5","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Dinitro-(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate)palladium(II)","","- C14 H12 N4 O8 Pd -","- C14 H12 N4 O8 Pd -","- C56 H48 N16 O32 Pd4 -","4","2","","Hatcher, Lauren E.; Coulson, Ben A.","Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]","CrystEngComm","2022","","","","","10.1039/D2CE00213B","","","0.71073","MoKα","","0.1301","0.0764","","","0.2032","0.2454","","","","","","0.956","","","","has coordinates","274587","2022-04-19","22:49:46",""
"7244842","8.4188","0.0004","16.5033","0.0008","17.3275","0.0008","90","","90.263","0.002","90","","2407.4","0.2","294","","294","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H27 B F7 N O6 -","- C18 H29 B F7 N O6 -","- C72 H116 B4 F28 N4 O24 -","4","1","","Han, Ding-Chong; Tan, Yu-Hui; Wen, Jia-Hui; Tang, Yun Zhi; Wu, Peng-Fei; Li, Yu-Kong; Wan, Ming-Yang; Fan, Xiao-Wei","High-Tp-Triggered Phase Transition Exhibiting Switchable Dielectric-Thermal Responses and Long Photoluminescence Lifetime in a Novel Inclusion Luminophor","CrystEngComm","2022","","","","","10.1039/D2CE00236A","","","0.71073","MoKα","","0.1226","0.0715","","","0.1706","0.2071","","","","","","1.027","","","","has coordinates,has disorder","274609","2022-04-20","22:40:05",""
"7244846","7.0468","0.0009","7.96","0.001","9.2442","0.0012","80.193","0.009","78.165","0.008","80.695","0.008","495.75","0.11","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C5 H4 Au Br Cl3 N -","- C5 H4 Au Br Cl3 N -","- C10 H8 Au2 Br2 Cl6 N2 -","2","1","","Pizzi, Andrea; Calabrese, Miriam; Daolio, Andrea; Ursini, Maurizio; Frontera, Antonio; Resnati, Giuseppe","Expanding the toolbox of coinage bond: Adducts involving new gold(III) derivatives and bioactive molecules","CrystEngComm","2022","","","","","10.1039/D2CE00446A","","","0.71073","MoKα","","0.0802","0.0392","","","0.0647","0.0747","","","","","","0.96","","","","has coordinates","274646","2022-04-22","22:32:47",""
"7244847","4.0879","0.0005","13.478","0.0019","17.229","0.002","90","","90.976","0.005","90","","949.1","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H4 Au Cl4 N -","- C5 H4 Au Cl4 N -","- C20 H16 Au4 Cl16 N4 -","4","1","","Pizzi, Andrea; Calabrese, Miriam; Daolio, Andrea; Ursini, Maurizio; Frontera, Antonio; Resnati, Giuseppe","Expanding the toolbox of coinage bond: Adducts involving new gold(III) derivatives and bioactive molecules","CrystEngComm","2022","","","","","10.1039/D2CE00446A","","","0.71073","MoKα","","0.0325","0.02","","","0.0359","0.039","","","","","","1.062","","","","has coordinates","274646","2022-04-22","22:32:49",""
"7244848","18.5724","0.0012","6.8315","0.0004","16.2536","0.001","90","","103.388","0.002","90","","2006.2","0.2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C5 H4 Au Cl3 I N -","- C5 H4 Au Cl3 I N -","- C40 H32 Au8 Cl24 I8 N8 -","8","1","","Pizzi, Andrea; Calabrese, Miriam; Daolio, Andrea; Ursini, Maurizio; Frontera, Antonio; Resnati, Giuseppe","Expanding the toolbox of coinage bond: Adducts involving new gold(III) derivatives and bioactive molecules","CrystEngComm","2022","","","","","10.1039/D2CE00446A","","","0.71073","MoKα","","0.0443","0.025","","","0.0444","0.0513","","","","","","1.025","","","","has coordinates","274646","2022-04-22","22:32:49",""
"7244849","4.1948","0.0004","13.8237","0.0014","16.8348","0.0018","90","","90","","90","","976.21","0.17","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C5 H4 Au Br3 F N -","- C5 H4 Au Br3 F N -","- C20 H16 Au4 Br12 F4 N4 -","4","1","","Pizzi, Andrea; Calabrese, Miriam; Daolio, Andrea; Ursini, Maurizio; Frontera, Antonio; Resnati, Giuseppe","Expanding the toolbox of coinage bond: Adducts involving new gold(III) derivatives and bioactive molecules","CrystEngComm","2022","","","","","10.1039/D2CE00446A","","","0.71073","MoKα","","0.0393","0.0333","","","0.0697","0.0719","","","","","","1","","","","has coordinates","274646","2022-04-22","22:32:49",""
"7244850","6.6793","0.0011","8.242","0.0013","16.356","0.003","90","","94.54","0.008","90","","897.6","0.3","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C5 H4 Au Cl3 F N O0 -","- C5 H4 Au Cl3 F N -","- C20 H16 Au4 Cl12 F4 N4 -","4","1","","Pizzi, Andrea; Calabrese, Miriam; Daolio, Andrea; Ursini, Maurizio; Frontera, Antonio; Resnati, Giuseppe","Expanding the toolbox of coinage bond: Adducts involving new gold(III) derivatives and bioactive molecules","CrystEngComm","2022","","","","","10.1039/D2CE00446A","","","0.71073","MoKα","","0.1078","0.0637","","","0.1581","0.1795","","","","","","1.047","","","","has coordinates","274646","2022-04-22","22:32:49",""
"7244851","7.4947","0.0017","9.945","0.003","10","0.002","85.66","0.013","69.881","0.012","78.186","0.012","685","0.3","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C10 H12 Au Cl3 N2 O -","- C10 H12 Au Cl3 N2 O -","- C20 H24 Au2 Cl6 N4 O2 -","2","2","","Pizzi, Andrea; Calabrese, Miriam; Daolio, Andrea; Ursini, Maurizio; Frontera, Antonio; Resnati, Giuseppe","Expanding the toolbox of coinage bond: Adducts involving new gold(III) derivatives and bioactive molecules","CrystEngComm","2022","","","","","10.1039/D2CE00446A","","","0.71073","MoKα","","0.0668","0.0331","","","0.0578","0.0665","","","","","","0.867","","","","has coordinates","274646","2022-04-22","22:32:49",""
"7244852","7.3049","0.0004","7.9398","0.0004","14.1403","0.0008","91.892","0.002","101.92","0.003","99.075","0.002","790.57","0.07","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C10 H11 Au Br3 N2 O2 -","- C10 H11 Au Br3 N2 O2 -","- C20 H22 Au2 Br6 N4 O4 -","2","2","","Pizzi, Andrea; Calabrese, Miriam; Daolio, Andrea; Ursini, Maurizio; Frontera, Antonio; Resnati, Giuseppe","Expanding the toolbox of coinage bond: Adducts involving new gold(III) derivatives and bioactive molecules","CrystEngComm","2022","","","","","10.1039/D2CE00446A","","","0.71073","MoKα","","0.0391","0.025","","","0.043","0.0455","","","","","","0.958","","","","has coordinates","274646","2022-04-22","22:32:50",""
"7244853","7.411","0.0003","9.0343","0.0006","9.7976","0.0006","76.87","0.005","88.723","0.005","84.956","0.004","636.36","0.06","113.15","","113.15","","","","","","","","","7","P -1","-P 1","2","","","","- C22 H22 Br2 Cl2 F4 N2 O4 -","- C22 H22 Br2 Cl2 F4 N2 O4 -","- C22 H22 Br2 Cl2 F4 N2 O4 -","1","0.5","","Yu, Fei; Zhang, Xiunan; Zhao, Hongtu; Jiang, Zhicheng; Wang, Ting; Wang, Na; Huang, Xin; Zhou, Lina; Hao, Hongxun","Enhanced luminescence of single-benzene fluorescent molecules through halogen bond cocrystals","CrystEngComm","2022","","","","","10.1039/D2CE00229A","","x-ray","0.71073","MoKα","","0.0461","0.0342","","","0.0684","0.0726","","","","","","1.046","","","","has coordinates","274700","2022-04-26","22:34:21",""
"7244854","7.4734","0.0002","9.3123","0.0005","9.9081","0.0004","73.84","0.004","86.669","0.003","82.978","0.003","657.13","0.05","113.15","","113.15","","","","","","","","","7","P -1","-P 1","2","","","","- C22 H22 Cl2 F4 I2 N2 O4 -","- C22 H22 Cl2 F4 I2 N2 O4 -","- C22 H22 Cl2 F4 I2 N2 O4 -","1","0.5","","Yu, Fei; Zhang, Xiunan; Zhao, Hongtu; Jiang, Zhicheng; Wang, Ting; Wang, Na; Huang, Xin; Zhou, Lina; Hao, Hongxun","Enhanced luminescence of single-benzene fluorescent molecules through halogen bond cocrystals","CrystEngComm","2022","","","","","10.1039/D2CE00229A","","x-ray","0.71073","MoKα","","0.0308","0.0288","","","0.0709","0.0729","","","","","","1.06","","","","has coordinates","274700","2022-04-26","22:34:22",""
"7244859","7.5511","0.0004","8.7","0.0004","12.6118","0.0007","86.36","0.002","75.717","0.002","75.416","0.002","777.05","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H40 N6 Ni S4 -","- C24 H40 N6 Ni S4 -","- C24 H40 N6 Ni S4 -","1","0.5","","Qian, yin; Wang, Yi-Ming; Xu, Lei; Yao, Wanwan; Shao, Dong-Sheng; Ren, XiaoMing","Formation of Organic Ion Cocrystals, Phase Transition and Ion Conduction","CrystEngComm","2022","","","","","10.1039/D2CE00156J","","","0.71073","MoKα","","0.0829","0.0426","","","0.0812","0.092","","","","","","1.02","","","","has coordinates","274725","2022-04-27","22:44:12",""
"7244860","9.8898","0.0007","11.0565","0.0008","12.9603","0.0009","90","","103.974","0.002","90","","1375.22","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H32 N6 Ni S4 -","- C20 H32 N6 Ni S4 -","- C40 H64 N12 Ni2 S8 -","2","0.5","","Qian, yin; Wang, Yi-Ming; Xu, Lei; Yao, Wanwan; Shao, Dong-Sheng; Ren, XiaoMing","Formation of Organic Ion Cocrystals, Phase Transition and Ion Conduction","CrystEngComm","2022","","","","","10.1039/D2CE00156J","","","0.71073","MoKα","","0.1853","0.0776","","","0.1791","0.2186","","","","","","1.031","","","","has coordinates,has disorder","274725","2022-04-27","22:44:13",""
"7244861","8.0311","0.0006","9.269","0.0007","9.4907","0.0007","114.353","0.003","103.978","0.003","100.933","0.003","590.19","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H24 N6 Ni S4 -","- C16 H24 N6 Ni S4 -","- C16 H24 N6 Ni S4 -","1","0.5","","Qian, yin; Wang, Yi-Ming; Xu, Lei; Yao, Wanwan; Shao, Dong-Sheng; Ren, XiaoMing","Formation of Organic Ion Cocrystals, Phase Transition and Ion Conduction","CrystEngComm","2022","","","","","10.1039/D2CE00156J","","","0.71073","MoKα","","0.0698","0.0505","","","0.1149","0.1294","","","","","","1.134","","","","has coordinates","274725","2022-04-27","22:44:13",""
"7244862","10.2851","0.0005","12.7962","0.0007","15.8552","0.0008","90","","105.97","0.0012","90","","2006.18","0.18","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H56 N6 Ni S4 -","- C32 H56 N6 Ni S4 -","- C64 H112 N12 Ni2 S8 -","2","0.5","","Qian, yin; Wang, Yi-Ming; Xu, Lei; Yao, Wanwan; Shao, Dong-Sheng; Ren, XiaoMing","Formation of Organic Ion Cocrystals, Phase Transition and Ion Conduction","CrystEngComm","2022","","","","","10.1039/D2CE00156J","","","0.71073","MoKα","","0.0756","0.0426","","","0.0858","0.0945","","","","","","1.025","","","","has coordinates","274725","2022-04-27","22:44:16",""
"7244863","17.7929","0.0009","15.3944","0.0008","16.2435","0.0008","90","","116.214","0.001","90","","3991.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H56 N6 Ni S4 -","- C32 H56 N6 Ni S4 -","- C128 H224 N24 Ni4 S16 -","4","1","","Qian, yin; Wang, Yi-Ming; Xu, Lei; Yao, Wanwan; Shao, Dong-Sheng; Ren, XiaoMing","Formation of Organic Ion Cocrystals, Phase Transition and Ion Conduction","CrystEngComm","2022","","","","","10.1039/D2CE00156J","","","0.71073","MoKα","","0.1597","0.0635","","","0.1777","0.2361","","","","","","0.883","","","","has coordinates","274725","2022-04-27","22:44:23",""
"7244864","9.9396","0.0004","19.2932","0.0008","19.4036","0.0008","103.934","0.001","94.109","0.001","90.753","0.001","3600.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H48 N6 Ni S4 -","- C28 H48 N6 Ni S4 -","- C112 H192 N24 Ni4 S16 -","4","2","","Qian, yin; Wang, Yi-Ming; Xu, Lei; Yao, Wanwan; Shao, Dong-Sheng; Ren, XiaoMing","Formation of Organic Ion Cocrystals, Phase Transition and Ion Conduction","CrystEngComm","2022","","","","","10.1039/D2CE00156J","","","0.71073","MoKα","","0.1201","0.052","","","0.1027","0.1221","","","","","","1.005","","","","has coordinates","274725","2022-04-27","22:44:23",""
"7244865","8.0145","0.0003","12.1192","0.0004","21.2967","0.0007","90","","91.686","0.003","90","","2067.64","0.12","133","","133.2","0.4","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H18 Br6 F6 N3 Sb -","- C6 H18 Br6 F6 N3 Sb -","- C24 H72 Br24 F24 N12 Sb4 -","4","1","","Song, Ning; Chen, Shao-Peng; Fan, Xiao-Wei; Tan, Yu-Hui; Tang, Yun Zhi; Wang, Li Juan; Liao, Juan; Sun, Zhen","Tunable hybrid perovskites with Narrow bandgap and Multistage phase transition properties: 2,2-difluoroethylamine·Antimony Hexabromide","CrystEngComm","2022","","","","","10.1039/D2CE00438K","","","0.71073","MoKα","","0.2043","0.2014","","","0.5057","0.5062","","","","","","1.151","","","","has coordinates","274726","2022-04-27","22:45:40",""
"7244866","12.3766","0.0005","21.5176","0.0008","8.0757","0.0003","90","","90","","90","","2150.68","0.14","292.99","0.1","292.99","0.1","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C6 H14 Br6 F7 N3 Sb -","- C6 H17 Br6 F7 N3 Sb -","- C24 H68 Br24 F28 N12 Sb4 -","4","0.5","","Song, Ning; Chen, Shao-Peng; Fan, Xiao-Wei; Tan, Yu-Hui; Tang, Yun Zhi; Wang, Li Juan; Liao, Juan; Sun, Zhen","Tunable hybrid perovskites with Narrow bandgap and Multistage phase transition properties: 2,2-difluoroethylamine·Antimony Hexabromide","CrystEngComm","2022","","","","","10.1039/D2CE00438K","","x-ray","0.71073","MoKα","","0.0554","0.0487","","","0.1486","0.1529","","","","","","1.111","","","","has coordinates,has disorder","274726","2022-04-27","22:45:40",""
"7244867","12.3891","0.0005","21.5246","0.0009","8.0726","0.0003","90","","90","","90","","2152.72","0.15","273","","273","","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C24 H72 Br24 F24 N12 Sb4 -","- C24 H72 Br24 F24 N12 Sb4 -","- C24 H72 Br24 F24 N12 Sb4 -","1","0.125","","Song, Ning; Chen, Shao-Peng; Fan, Xiao-Wei; Tan, Yu-Hui; Tang, Yun Zhi; Wang, Li Juan; Liao, Juan; Sun, Zhen","Tunable hybrid perovskites with Narrow bandgap and Multistage phase transition properties: 2,2-difluoroethylamine·Antimony Hexabromide","CrystEngComm","2022","","","","","10.1039/D2CE00438K","","","0.71073","MoKα","","0.0707","0.0484","","","0.1401","0.1516","","","","","","1.045","","","","has coordinates,has disorder","274726","2022-04-27","22:45:40",""
"7244868","8.0374","0.0009","12.3053","0.0011","21.399","0.0015","90","","90","","90","","2116.4","0.3","232.97","0.1","232.97","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H18 Br6 F6 N3 Sb -","- C6 H16 Br6 F6 N3 Sb -","- C24 H64 Br24 F24 N12 Sb4 -","4","1","","Song, Ning; Chen, Shao-Peng; Fan, Xiao-Wei; Tan, Yu-Hui; Tang, Yun Zhi; Wang, Li Juan; Liao, Juan; Sun, Zhen","Tunable hybrid perovskites with Narrow bandgap and Multistage phase transition properties: 2,2-difluoroethylamine·Antimony Hexabromide","CrystEngComm","2022","","","","","10.1039/D2CE00438K","","x-ray","0.71073","MoKα","","0.1508","0.1213","","","0.3327","0.3475","","","","","","1.068","","","","has coordinates,has disorder","274726","2022-04-27","22:45:41",""
"7244871","7.0697","0.0005","12.8591","0.0008","13.3357","0.0009","87.564","0.002","80.1017","0.0019","88.5666","0.0019","1193.03","0.14","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H28 Au Cl4 N3 O3 -","- C18 H28 Au Cl4 N3 O3 -","- C36 H56 Au2 Cl8 N6 O6 -","2","1","","Shaffer, Cassandra C.; Oliver, Allen Grayson; Smith, B. D.","Co-crystals of tetrahaloauric acid and 1,3,5-(methylacetamide)benzene-based tectons: consistent trapping of high energy molecular conformation","CrystEngComm","2022","","","","","10.1039/D2CE00463A","","","0.71073","MoKα","","0.0488","0.032","","","0.0525","0.0561","","","","","","1.02","","","","has coordinates","274810","2022-05-02","22:51:33",""
"7244872","12.329","0.0009","16.7583","0.0013","13.2907","0.001","90","","102.993","0.001","90","","2675.7","0.3","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H34 Au Cl4 N3 O3 -","- C21 H34 Au Cl4 N3 O3 -","- C84 H136 Au4 Cl16 N12 O12 -","4","1","","Shaffer, Cassandra C.; Oliver, Allen Grayson; Smith, B. D.","Co-crystals of tetrahaloauric acid and 1,3,5-(methylacetamide)benzene-based tectons: consistent trapping of high energy molecular conformation","CrystEngComm","2022","","","","","10.1039/D2CE00463A","","","0.71073","MoKα","","0.0269","0.0167","","","0.0346","0.038","","","","","","1.075","","","","has coordinates","274810","2022-05-02","22:51:34",""
"7244873","11.433","0.003","14.321","0.004","19.606","0.006","71.99","0.005","82.849","0.005","74.244","0.004","2935.3","1.4","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H122 Au4 Br16 N12 O13 -","- C76 H122 Au4 Br16 N12 O13 -","- C76 H122 Au4 Br16 N12 O13 -","1","0.5","","Shaffer, Cassandra C.; Oliver, Allen Grayson; Smith, B. D.","Co-crystals of tetrahaloauric acid and 1,3,5-(methylacetamide)benzene-based tectons: consistent trapping of high energy molecular conformation","CrystEngComm","2022","","","","","10.1039/D2CE00463A","","","0.71073","MoKα","","0.1279","0.0837","","","0.2106","0.2383","","","","","","0.977","","","","has coordinates","274810","2022-05-02","22:51:34",""
"7244874","12.5789","0.0011","17.0609","0.0015","13.3931","0.0012","90","","103.8","0.002","90","","2791.3","0.4","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H34 Au Br4 N3 O3 -","- C21 H34 Au Br4 N3 O3 -","- C84 H136 Au4 Br16 N12 O12 -","4","1","","Shaffer, Cassandra C.; Oliver, Allen Grayson; Smith, B. D.","Co-crystals of tetrahaloauric acid and 1,3,5-(methylacetamide)benzene-based tectons: consistent trapping of high energy molecular conformation","CrystEngComm","2022","","","","","10.1039/D2CE00463A","","","0.71073","MoKα","","0.0373","0.0211","","","0.0438","0.0485","","","","","","1.022","","","","has coordinates","274810","2022-05-02","22:51:34",""
"7244875","8.2648","0.0011","15.324","0.002","24.254","0.003","90","","91.5","0.002","90","","3070.7","0.7","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,3,5-tris(4-formyl phenoxymethyl)mesitylene","","- C36 H36 O7 -","- C36 H36 O7 -","- C144 H144 O28 -","4","1","","Dey, Sandeep Kumar; Harmalkar, Sarvesh S.; Yadav, Rahul K. H. O.; Lama, Prem; Das, Gopal","Structure directing roles of weak noncovalent interactions and charge-assisted hydrogen bonds in the self-assembly of solvated podands: Example of an anion-assisted dimeric water capsule","CrystEngComm","2022","","","","","10.1039/D2CE00180B","","","0.71073","MoKα","","0.0717","0.0614","","","0.1491","0.1566","","","","","","1.042","","","","has coordinates,has disorder","274811","2022-05-02","22:52:48",""
"7244876","28.148","0.005","9.87","0.002","25.456","0.005","90","","101.202","0.006","90","","6937","2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H82 Br8 N14 O9 -","- C56 H82 Br8 N14 O9 -","- C224 H328 Br32 N56 O36 -","4","0.5","","Dey, Sandeep Kumar; Harmalkar, Sarvesh S.; Yadav, Rahul K. H. O.; Lama, Prem; Das, Gopal","Structure directing roles of weak noncovalent interactions and charge-assisted hydrogen bonds in the self-assembly of solvated podands: Example of an anion-assisted dimeric water capsule","CrystEngComm","2022","","","","","10.1039/D2CE00180B","","","0.71073","MoKα","","0.0866","0.0545","","","0.1342","0.1507","","","","","","1.044","","","","has coordinates","274811","2022-05-02","22:52:49",""
"7244877","10.4686","0.0012","10.5937","0.001","14.3939","0.0018","104.077","0.004","105.163","0.003","96.007","0.005","1470.1","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","tris(4-aminopyridinium)mesitylene tribromide","","- C27 H33 Br3 N6 O -","- C27 H33 Br3 N6 O -","- C54 H66 Br6 N12 O2 -","2","1","","Dey, Sandeep Kumar; Harmalkar, Sarvesh S.; Yadav, Rahul K. H. O.; Lama, Prem; Das, Gopal","Structure directing roles of weak noncovalent interactions and charge-assisted hydrogen bonds in the self-assembly of solvated podands: Example of an anion-assisted dimeric water capsule","CrystEngComm","2022","","","","","10.1039/D2CE00180B","","","0.71073","MoKα","","0.0969","0.0503","","","0.1132","0.1518","","","","","","1.06","","","","has coordinates","274811","2022-05-02","22:52:49",""
"7244878","7.4743","0.0005","26.063","0.002","16.587","0.0011","90","","93.174","0.003","90","","3226.2","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","tris(4-amino-N-ethylbenzamide)ammonium bromide","","- C27 H35 Br2 N7 O7 -","- C27 H35 Br2 N7 O7 -","- C108 H140 Br8 N28 O28 -","4","1","","Dey, Sandeep Kumar; Harmalkar, Sarvesh S.; Yadav, Rahul K. H. O.; Lama, Prem; Das, Gopal","Structure directing roles of weak noncovalent interactions and charge-assisted hydrogen bonds in the self-assembly of solvated podands: Example of an anion-assisted dimeric water capsule","CrystEngComm","2022","","","","","10.1039/D2CE00180B","","","0.71073","MoKα","","0.1582","0.0574","","","0.1383","0.1818","","","","","","0.959","","","","has coordinates","274811","2022-05-02","22:52:49",""
"7244884","9.3146","0.0007","11.4763","0.0009","12.2711","0.0009","95.205","0.004","106.911","0.004","98.262","0.004","1229.77","0.16","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C29 H32 O4 -","- C29 H32 O4 -","- C58 H64 O8 -","2","1","","Deka, Poonam; Patir, Khemnath; Rawal, Isha; Ahmed, Shahnaz; Bora, Smiti Rani; Kalita, Dhruba Jyoti; Althubeiti, Khaled; Gogoi, Sonit Kumar; Sarma, Parishmita; Thakuria, Ranjit","Solid-State Fluorescence of A Quasi-Isostructural Polymorphic Biphenyl Based Michael Addition Product","CrystEngComm","2022","","","","","10.1039/D2CE00425A","","","0.71073","MoKα","","0.0547","0.0429","","","0.1203","0.1316","","","","","","1.057","","","","has coordinates","274856","2022-05-03","22:31:21",""
"7244885","9.3281","0.0006","21.6191","0.0015","12.2447","0.0009","90","","95.321","0.004","90","","2458.7","0.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H32 O4 -","- C29 H32 O4 -","- C116 H128 O16 -","4","1","","Deka, Poonam; Patir, Khemnath; Rawal, Isha; Ahmed, Shahnaz; Bora, Smiti Rani; Kalita, Dhruba Jyoti; Althubeiti, Khaled; Gogoi, Sonit Kumar; Sarma, Parishmita; Thakuria, Ranjit","Solid-State Fluorescence of A Quasi-Isostructural Polymorphic Biphenyl Based Michael Addition Product","CrystEngComm","2022","","","","","10.1039/D2CE00425A","","","0.71073","MoKα","","0.0753","0.0586","","","0.1393","0.1536","","","","","","1.096","","","","has coordinates","274856","2022-05-03","22:31:24",""
"7244886","11.5533","0.0005","10.2872","0.0005","19.6885","0.0009","90","","97.333","0.002","90","","2320.86","0.18","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H30 O3 -","- C29 H30 O3 -","- C116 H120 O12 -","4","1","","Deka, Poonam; Patir, Khemnath; Rawal, Isha; Ahmed, Shahnaz; Bora, Smiti Rani; Kalita, Dhruba Jyoti; Althubeiti, Khaled; Gogoi, Sonit Kumar; Sarma, Parishmita; Thakuria, Ranjit","Solid-State Fluorescence of A Quasi-Isostructural Polymorphic Biphenyl Based Michael Addition Product","CrystEngComm","2022","","","","","10.1039/D2CE00425A","","","0.71073","MoKα","","0.0888","0.0626","","","0.1561","0.1788","","","","","","1.101","","","","has coordinates","274856","2022-05-03","22:31:26",""
"7244897","9.9889","0.0009","10.8567","0.0012","9.9953","0.001","90","","105.531","0.003","90","","1044.38","0.18","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H24 N2 O5 -","- C21 H24 N2 O5 -","- C42 H48 N4 O10 -","2","1","","Dolai, Gobinda; Giri, Rajat Subhra; Mandal, Bhubaneswar","Versatility in self-assembly and morphology of non-coded anthranilic acid and phenylglycine based dipeptide stereoisomers","CrystEngComm","2022","","","","","10.1039/D2CE00158F","","","0.71073","MoKα","","0.0737","0.0468","","","0.1252","0.1499","","","","","","0.869","","","","has coordinates","275152","2022-05-06","22:31:55",""
"7244898","10.574","0.0006","10.9521","0.0007","11.457","0.0008","109.58","0.002","98.665","0.002","117.163","0.002","1036.68","0.12","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H24 N2 O5 -","- C21 H24 N2 O5 -","- C42 H48 N4 O10 -","2","1","","Dolai, Gobinda; Giri, Rajat Subhra; Mandal, Bhubaneswar","Versatility in self-assembly and morphology of non-coded anthranilic acid and phenylglycine based dipeptide stereoisomers","CrystEngComm","2022","","","","","10.1039/D2CE00158F","","","0.71073","MoKα","","0.1084","0.0586","","","0.1659","0.1981","","","","","","1.068","","","","has coordinates","275152","2022-05-06","22:31:56",""
"7244899","9.967","0.007","10.881","0.008","9.994","0.007","90","","105.28","0.02","90","","1045.5","1.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H24 N2 O5 -","- C21 H24 N2 O5 -","- C42 H48 N4 O10 -","2","1","","Dolai, Gobinda; Giri, Rajat Subhra; Mandal, Bhubaneswar","Versatility in self-assembly and morphology of non-coded anthranilic acid and phenylglycine based dipeptide stereoisomers","CrystEngComm","2022","","","","","10.1039/D2CE00158F","","","0.71073","MoKα","","0.0452","0.0377","","","0.1121","0.1235","","","","","","0.921","","","","has coordinates","275152","2022-05-06","22:31:56",""
"7244900","10.5787","0.0006","10.9535","0.0006","11.4597","0.0007","109.577","0.002","98.666","0.002","117.16","0.002","1037.58","0.11","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H24 N2 O5 -","- C21 H24 N2 O5 -","- C42 H48 N4 O10 -","2","1","","Dolai, Gobinda; Giri, Rajat Subhra; Mandal, Bhubaneswar","Versatility in self-assembly and morphology of non-coded anthranilic acid and phenylglycine based dipeptide stereoisomers","CrystEngComm","2022","","","","","10.1039/D2CE00158F","","","0.71073","MoKα","","0.0865","0.0541","","","0.1599","0.186","","","","","","0.97","","","","has coordinates","275152","2022-05-06","22:31:56",""
"7244901","12.8824","0.0008","19.0447","0.0011","15.1918","0.0011","90","","98.548","0.005","90","","3685.8","0.4","200","","200","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H28 I4 O4 -","- C40 H28 I4 O4 -","- C160 H112 I16 O16 -","4","0.5","","Gullo, Maria Chiara; Marchiò, Luciano; Casnati, Alessandro; Baldini, Laura","Halogen-bonded architectures of multivalent calix[4]arenes","CrystEngComm","2022","","","","","10.1039/D2CE00193D","","","1.54178","CuKα","","0.1554","0.099","","","0.2093","0.2351","","","","","","1.072","","","","has coordinates","275153","2022-05-06","22:33:55",""
"7244902","12.9348","0.0002","22.8426","0.0004","39.6053","0.0006","90","","90","","90","","11702","0.3","200","","200","","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C56 H60 I4 N4 O5 -","- C56 H60 I4 N4 O5 -","- C448 H480 I32 N32 O40 -","8","0.25","","Gullo, Maria Chiara; Marchiò, Luciano; Casnati, Alessandro; Baldini, Laura","Halogen-bonded architectures of multivalent calix[4]arenes","CrystEngComm","2022","","","","","10.1039/D2CE00193D","","","0.71073","MoKα","","0.0338","0.0246","","","0.0543","0.0601","","","","","","1.067","","","","has coordinates,has disorder","275153","2022-05-06","22:33:56",""
"7244903","13.2357","0.0016","15.3241","0.0018","15.3955","0.0019","112.406","0.002","101.238","0.002","99.482","0.002","2731.4","0.6","200","","200","","","","","","","","","4","P -1","-P 1","2","","","","- C56 H60 I4 O8 -","- C56 H60 I4 O8 -","- C112 H120 I8 O16 -","2","1","","Gullo, Maria Chiara; Marchiò, Luciano; Casnati, Alessandro; Baldini, Laura","Halogen-bonded architectures of multivalent calix[4]arenes","CrystEngComm","2022","","","","","10.1039/D2CE00193D","","","0.71073","MoKα","","0.0557","0.0402","","","0.0922","0.1002","","","","","","1.048","","","","has coordinates,has disorder","275153","2022-05-06","22:33:56",""
"7244904","13.1998","0.0018","14.997","0.002","30.958","0.004","100.754","0.004","90.152","0.004","105.402","0.004","5795.7","1.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H56 Cl4 I4 N8 O4 -","- C54 H56 Cl4 I4 N8 O4 -","- C216 H224 Cl16 I16 N32 O16 -","4","2","","Gullo, Maria Chiara; Marchiò, Luciano; Casnati, Alessandro; Baldini, Laura","Halogen-bonded architectures of multivalent calix[4]arenes","CrystEngComm","2022","","","","","10.1039/D2CE00193D","","","0.71073","MoKα","","0.0969","0.0743","","","0.1778","0.1919","","","","","","1.077","","","","has coordinates,has disorder","275153","2022-05-06","22:33:56",""
"7244907","6.7682","0.0007","3.9248","0.0004","13.5199","0.0015","90","","92.765","0.01","90","","358.72","0.07","270","2","270","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","[HImidazole][(NbOF4]","","- C3 H5 F4 N2 Nb O -","- C3 H5 F4 N2 Nb O -","- C6 H10 F8 N4 Nb2 O2 -","2","0.5","","Feng, Yan; Wang, Ze-Jie; Li, Long-He; Liao, Rong-Meng; Hu, Zhao-Bo; Li, Jian-Rong; Shi, Chao; Ye, Heng-Yun","Structural Phase Transition and Switchable Dielectric Behaviour of a One-Dimensional Chains Niobium Oxyfluoride","CrystEngComm","2022","","","","","10.1039/D2CE00428C","","","0.71073","MoKα","","0.092","0.0895","","","0.2225","0.2241","","","","","","1.242","","","","has coordinates,has disorder","275307","2022-05-10","22:30:48",""
"7244908","13.529","0.001","6.8257","0.0005","3.9372","0.0002","90","","90","","90","","363.58","0.04","305.38","0.1","305.38","0.1","","","","","","","","6","P m m a","-P 2a 2a","51","","[HImidazole](NbOF4)","","- C3 H5 F4 N2 Nb O -","- C3 H5 F4 N2 Nb O -","- C6 H10 F8 N4 Nb2 O2 -","2","0.25","","Feng, Yan; Wang, Ze-Jie; Li, Long-He; Liao, Rong-Meng; Hu, Zhao-Bo; Li, Jian-Rong; Shi, Chao; Ye, Heng-Yun","Structural Phase Transition and Switchable Dielectric Behaviour of a One-Dimensional Chains Niobium Oxyfluoride","CrystEngComm","2022","","","","","10.1039/D2CE00428C","","x-ray","0.71073","MoKα","","0.0429","0.0374","","","0.0929","0.0972","","","","","","1.193","","","","has coordinates,has disorder","275307","2022-05-10","22:30:49",""
"7244911","7.812","0.003","10.859","0.004","12.709","0.005","89.402","0.015","72.201","0.009","79.402","0.011","1007.8","0.7","190","2","190","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H29 Co2 N3 O14 P3 -","- C9 H29 Co2 N3 O14 P3 -","- C18 H58 Co4 N6 O28 P6 -","2","1","","Huang, Xia-Lu; Chen, Yi-Qing; Wen, Ge-Hua; Bao, Song-Song; Zheng, Li-Min","Hydrated metal ions as weak Brønsted acids show promoting effects on proton conduction","CrystEngComm","2022","","","","","10.1039/D2CE00430E","","","0.71073","MoKα","","0.0994","0.0633","","","0.1329","0.1454","","","","","","1.049","","","","has coordinates","275348","2022-05-11","22:36:03",""
"7244912","11.295","0.001","12.017","0.0008","16.7188","0.0013","90","","103.271","0.003","90","","2208.7","0.3","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H64 Co5 N6 O32 P6 -","- C18 H64 Co5 N6 O32 P6 -","- C36 H128 Co10 N12 O64 P12 -","2","0.5","","Huang, Xia-Lu; Chen, Yi-Qing; Wen, Ge-Hua; Bao, Song-Song; Zheng, Li-Min","Hydrated metal ions as weak Brønsted acids show promoting effects on proton conduction","CrystEngComm","2022","","","","","10.1039/D2CE00430E","","","0.71073","MoKα","","0.0291","0.0257","","","0.0673","0.0696","","","","","","1.064","","","","has coordinates","275348","2022-05-11","22:36:03",""
"7244913","23.971","0.004","7.8678","0.0013","22.429","0.004","90","","93.589","0.008","90","","4221.8","1.2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C9 H31 Co2 N3 O15 P3 -","- C9 H31 Co2 N3 O15 P3 -","- C72 H248 Co16 N24 O120 P24 -","8","1","","Huang, Xia-Lu; Chen, Yi-Qing; Wen, Ge-Hua; Bao, Song-Song; Zheng, Li-Min","Hydrated metal ions as weak Brønsted acids show promoting effects on proton conduction","CrystEngComm","2022","","","","","10.1039/D2CE00430E","","","0.71073","MoKα","","0.0776","0.0467","","","0.0944","0.109","","","","","","1.018","","","","has coordinates","275348","2022-05-11","22:36:04",""
"7244914","12.79","0.016","14.685","0.018","15.514","0.019","103.49","0.05","108.36","0.05","103.32","0.06","2539","6","190","2","190","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H70 Co4 N6 O34 P6 -","- C18 H50 Co4 N6 O34 P6 -","- C36 H100 Co8 N12 O68 P12 -","2","1","","Huang, Xia-Lu; Chen, Yi-Qing; Wen, Ge-Hua; Bao, Song-Song; Zheng, Li-Min","Hydrated metal ions as weak Brønsted acids show promoting effects on proton conduction","CrystEngComm","2022","","","","","10.1039/D2CE00430E","","","0.71073","MoKα","","0.0956","0.0739","","","0.1942","0.2099","","","","","","1.038","","","","has coordinates","275348","2022-05-11","22:36:04",""
"7244915","20.346","0.006","7.738","0.002","11.322","0.004","90","","90","","90","","1782.5","0.9","296","2","296","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C9 H25 Co2 N3 O12 P3 -","- C9 H25 Co2 N3 O12 P3 -","- C36 H100 Co8 N12 O48 P12 -","4","1","","Huang, Xia-Lu; Chen, Yi-Qing; Wen, Ge-Hua; Bao, Song-Song; Zheng, Li-Min","Hydrated metal ions as weak Brønsted acids show promoting effects on proton conduction","CrystEngComm","2022","","","","","10.1039/D2CE00430E","","","0.71073","MoKα","","0.0636","0.0484","","","0.1021","0.1084","","","","","","1.047","","","","has coordinates","275348","2022-05-11","22:36:04",""
"7244916","11.2447","0.0008","11.958","0.0008","16.6893","0.0011","90","","103.455","0.002","90","","2182.5","0.3","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H64 Co2 N6 Ni3 O32 P6 -","- C18 H64 Co2 N6 Ni3 O32 P6 -","- C36 H128 Co4 N12 Ni6 O64 P12 -","2","0.5","","Huang, Xia-Lu; Chen, Yi-Qing; Wen, Ge-Hua; Bao, Song-Song; Zheng, Li-Min","Hydrated metal ions as weak Brønsted acids show promoting effects on proton conduction","CrystEngComm","2022","","","","","10.1039/D2CE00430E","","","0.71073","MoKα","","0.0288","0.0265","","","0.0673","0.0687","","","","","","1.062","","","","has coordinates","275348","2022-05-11","22:36:04",""
"7244917","17.5983","0.0004","24.5934","0.0003","18.2648","0.0002","90","","90","","90","","7905","0.2","100.01","0.1","100.01","0.1","","","","","","","","5","A e m 2","A 2 -2b","39","ZBM","Zn(BPDC)Mel.Mel","","- C20 H22 N12 O4 Zn -","- C13.3333 H8 N8 O2.66667 Zn0.666667 -","- C160 H96 N96 O32 Zn8 -","12","1.5","","Fu, Xiaochen; Sale, Matthew; Ding, Bowen; Lewis, William; Silvester, Debbie S.; Ling, Chris D.; D'Alessandro, Deanna Michelle","Hydrogen-Bonding 2D Coordination Polymer for Enzyme-Free Electrochemical Glucose Sensing","CrystEngComm","2022","","","","","10.1039/D2CE00240J","","","1.54178","CuKα","","0.0482","0.0461","","","0.1255","0.1271","","","","","","1.036","","","","has coordinates,has disorder","275381","2022-05-12","22:41:53",""
"7244918","16.394","0.001","6.4768","0.0004","38.606","0.002","90","","93.249","0.003","90","","4092.6","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(1,2,4,5-tetrafluoro-3,6-diiodobenzene) methyl 4-[(1E)-2-(pyridin-4-yl)ethenyl]benzoate","","- C21 H13 F4 I2 N O2 -","- C21 H13 F4 I2 N O2 -","- C168 H104 F32 I16 N8 O16 -","8","1","","Bosch, Eric; Ferrence, Gregory M.; Powell, Conrad; Unruh, Daniel K.; Krueger, Herman R.; Groeneman, Ryan","Cooperative non-covalent interactions and synthetic feed as driving forces to structural diversity within organic co-crystals containing isosteric perhalobenzenes","CrystEngComm","2022","","","","","10.1039/D2CE00360K","","x-ray","0.71073","MoKα","","0.0396","0.0261","","","0.0447","0.0477","","","","","","1.02","","","","has coordinates","275382","2022-05-12","22:42:37",""
"7244919","6.267","0.0001","11.0627","0.0002","12.1817","0.0003","76.276","0.002","83.834","0.002","83.2","0.002","811.91","0.03","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C36 H26 F4 I2 N2 O4 -","- C36 H26 F4 I2 N2 O4 -","- C36 H26 F4 I2 N2 O4 -","1","0.5","","Bosch, Eric; Ferrence, Gregory M.; Powell, Conrad; Unruh, Daniel K.; Krueger, Herman R.; Groeneman, Ryan","Cooperative non-covalent interactions and synthetic feed as driving forces to structural diversity within organic co-crystals containing isosteric perhalobenzenes","CrystEngComm","2022","","","","","10.1039/D2CE00360K","","x-ray","1.54184","CuKα","","0.0328","0.0303","","","0.0712","0.0737","","","","","","1.045","","","","has coordinates,has disorder","275382","2022-05-12","22:42:38",""
"7244920","8.2756","0.0002","10.2186","0.0003","11.8757","0.0004","114.572","0.001","92.194","0.002","107.358","0.002","856.35","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","hemikis(1,2,4,5-tetrachloro-3,6-diiodobenzene) methyl 4-[(1E)-2-(pyridin-4-yl)ethenyl]benzoate","","- C18 H13 Cl2 I N O2 -","- C18 H13 Cl2 I N O2 -","- C36 H26 Cl4 I2 N2 O4 -","2","1","","Bosch, Eric; Ferrence, Gregory M.; Powell, Conrad; Unruh, Daniel K.; Krueger, Herman R.; Groeneman, Ryan","Cooperative non-covalent interactions and synthetic feed as driving forces to structural diversity within organic co-crystals containing isosteric perhalobenzenes","CrystEngComm","2022","","","","","10.1039/D2CE00360K","","x-ray","0.71073","MoKα","","0.0185","0.0162","","","0.0377","0.0388","","","","","","1.11","","","","has coordinates","275382","2022-05-12","22:42:38",""
"7244921","5.0082","0.0005","5.8251","0.0006","27.1828","0.0018","89.569","0.005","87.332","0.004","85.969","0.004","790.18","0.12","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C27.5 H14 Ag N3.5 S12 -","- C27.5 H14 Ag N3.5 S12 -","- C27.5 H14 Ag N3.5 S12 -","1","0.5","","Lopes, Gonçalo; Gama, Vasco Pires Silva da; Santos, Isabel Cordeiro; Branco Lopes, Elsa; Brotas, Graça; Pereira, Laura C. J.; Cerdeira, Ana C.; Paixão, José António; Rabaça, Sandra; Almeida, Manuel","Bilayer conducting salts with polymeric anions","CrystEngComm","2022","","","","","10.1039/D2CE00515H","","","0.71073","MoKα","","0.1383","0.0582","","","0.1075","0.1249","","","","","","0.898","","","","has coordinates","275418","2022-05-13","22:35:44",""
"7244922","4.9082","0.0005","5.8283","0.0004","30.957","0.002","94.893","0.004","90.969","0.005","94.432","0.005","879.46","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H14 Hg N5 S15 -","- C28.5 H14 Hg N4.5 S14.5 -","- C28.5 H14 Hg N4.5 S14.5 -","1","0.5","","Lopes, Gonçalo; Gama, Vasco Pires Silva da; Santos, Isabel Cordeiro; Branco Lopes, Elsa; Brotas, Graça; Pereira, Laura C. J.; Cerdeira, Ana C.; Paixão, José António; Rabaça, Sandra; Almeida, Manuel","Bilayer conducting salts with polymeric anions","CrystEngComm","2022","","","","","10.1039/D2CE00515H","","","0.71073","MoKα","","0.1335","0.0783","","","0.1948","0.2135","","","","","","1.066","","","","has coordinates","275418","2022-05-13","22:35:48",""
"7244923","4.9247","0.0005","5.8358","0.0006","27.238","0.003","89.421","0.005","86.821","0.006","85.326","0.006","778.99","0.14","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H14 Ag0.5 N4 S12 -","- C27 H14 Ag0.5 N4 S12 -","- C27 H14 Ag0.5 N4 S12 -","1","0.5","","Lopes, Gonçalo; Gama, Vasco Pires Silva da; Santos, Isabel Cordeiro; Branco Lopes, Elsa; Brotas, Graça; Pereira, Laura C. J.; Cerdeira, Ana C.; Paixão, José António; Rabaça, Sandra; Almeida, Manuel","Bilayer conducting salts with polymeric anions","CrystEngComm","2022","","","","","10.1039/D2CE00515H","","","0.71073","MoKα","","0.1139","0.1021","","","0.3053","0.3151","","","","","","1.053","","","","has coordinates","288177","2023-12-08","09:21:14",""
"7244924","4.9017","0.0004","5.7793","0.0005","27.0165","0.0015","89.533","0.005","87.164","0.004","84.996","0.004","761.48","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C13.5 H7 Ag0.25 N1.5 S6 -","- C13.5 H7 Ag0.25 N1.5 S6 -","- C27 H14 Ag0.5 N3 S12 -","2","1","","Lopes, Gonçalo; Gama, Vasco Pires Silva da; Santos, Isabel Cordeiro; Branco Lopes, Elsa; Brotas, Graça; Pereira, Laura C. J.; Cerdeira, Ana C.; Paixão, José António; Rabaça, Sandra; Almeida, Manuel","Bilayer conducting salts with polymeric anions","CrystEngComm","2022","","","","","10.1039/D2CE00515H","","","0.71073","MoKα","","0.1703","0.1352","","","0.3116","0.3237","","","","","","1.129","","","","has coordinates,has disorder","275418","2022-05-13","22:35:48",""
"7244925","4.9143","0.0002","54.6015","0.0016","5.7336","0.0002","90","","95.395","0.002","90","","1531.67","0.09","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C27 H14 Ag0.5 N3 S13 -","- C27 H14 Ag0.5 N3 S13 -","- C54 H28 Ag N6 S26 -","2","0.5","","Lopes, Gonçalo; Gama, Vasco Pires Silva da; Santos, Isabel Cordeiro; Branco Lopes, Elsa; Brotas, Graça; Pereira, Laura C. J.; Cerdeira, Ana C.; Paixão, José António; Rabaça, Sandra; Almeida, Manuel","Bilayer conducting salts with polymeric anions","CrystEngComm","2022","","","","","10.1039/D2CE00515H","","","0.71073","MoKα","","0.1087","0.0751","","","0.1779","0.1912","","","","","","1.073","","","","has coordinates,has disorder","275418","2022-05-13","22:35:49",""
"7244926","8.8592","0.0005","10.4121","0.0005","16.3491","0.0009","76.466","0.001","82.135","0.001","70.542","0.001","1379.61","0.13","273.15","","273.15","","","","","","","","","7","P -1","-P 1","2","","","","- C32 H44 Cu2 Mo6 N12 O38 Te -","- C32 H44 Cu2 Mo6 N12 O38 Te -","- C32 H44 Cu2 Mo6 N12 O38 Te -","1","0.5","","Lu, Jun-Jun; Liang, Ju-Ju; Lin, Hong-Yan; Liu, Qian-Qian; Cui, Zi-Wei; Wang, Xiu-Li","Four Anderson-type [TeMo6O24]6−-based metal–organic complexes with a new bis(pyrimidine)-bis(amide): multifunctional electrochemical and adsorption performances","CrystEngComm","2022","","","","","10.1039/D2CE00504B","","x-ray","0.71073","MoKα","K-L~3~","0.0688","0.0404","","","0.0834","0.0945","","","","","","1.028","","","","has coordinates","275419","2022-05-13","22:37:48",""
"7244927","8.7287","0.0005","10.5188","0.0006","16.3288","0.0009","76.907","0.001","84.511","0.001","71.759","0.001","1386.38","0.14","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C32 H44 Co2 Mo6 N12 O38 Te -","- C32 H44 Co2 Mo6 N12 O38 Te -","- C32 H44 Co2 Mo6 N12 O38 Te -","1","0.5","","Lu, Jun-Jun; Liang, Ju-Ju; Lin, Hong-Yan; Liu, Qian-Qian; Cui, Zi-Wei; Wang, Xiu-Li","Four Anderson-type [TeMo6O24]6−-based metal–organic complexes with a new bis(pyrimidine)-bis(amide): multifunctional electrochemical and adsorption performances","CrystEngComm","2022","","","","","10.1039/D2CE00504B","","x-ray","0.71073","MoKα","K-L~3~","0.0371","0.027","","","0.0619","0.0667","","","","","","1.025","","","","has coordinates","275419","2022-05-13","22:37:51",""
"7244928","8.692","0.0005","10.4924","0.0006","16.3349","0.001","77.225","0.001","83.85","0.001","71.877","0.001","1379.61","0.14","273.15","","273.15","","","","","","","","","7","P -1","-P 1","2","","","","- C32 H44 Mo6 N12 Ni2 O38 Te -","- C32 H44 Mo6 N12 Ni2 O38 Te -","- C32 H44 Mo6 N12 Ni2 O38 Te -","1","0.5","","Lu, Jun-Jun; Liang, Ju-Ju; Lin, Hong-Yan; Liu, Qian-Qian; Cui, Zi-Wei; Wang, Xiu-Li","Four Anderson-type [TeMo6O24]6−-based metal–organic complexes with a new bis(pyrimidine)-bis(amide): multifunctional electrochemical and adsorption performances","CrystEngComm","2022","","","","","10.1039/D2CE00504B","","x-ray","0.71073","MoKα","K-L~3~","0.0908","0.0438","","","0.0813","0.0997","","","","","","0.974","","","","has coordinates","275419","2022-05-13","22:37:54",""
"7244929","8.7941","0.0005","10.4848","0.0006","16.2937","0.001","76.622","0.001","84.249","0.001","71.69","0.001","1386.97","0.14","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C32 H44 Mo6 N12 O38 Te Zn2 -","- C32 H44 Mo6 N12 O38 Te Zn2 -","- C32 H44 Mo6 N12 O38 Te Zn2 -","1","0.5","","Lu, Jun-Jun; Liang, Ju-Ju; Lin, Hong-Yan; Liu, Qian-Qian; Cui, Zi-Wei; Wang, Xiu-Li","Four Anderson-type [TeMo6O24]6−-based metal–organic complexes with a new bis(pyrimidine)-bis(amide): multifunctional electrochemical and adsorption performances","CrystEngComm","2022","","","","","10.1039/D2CE00504B","","x-ray","0.71073","MoKα","K-L~3~","0.0617","0.0371","","","0.07","0.0799","","","","","","0.966","","","","has coordinates","275419","2022-05-13","22:37:56",""
"7244930","11.1742","0.0007","11.4148","0.0005","20.2335","0.0012","90","","98.288","0.006","90","","2553.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Fe N10 S2 -","- C24 H24 Fe N10 S2 -","- C96 H96 Fe4 N40 S8 -","4","1","","Hagiwara, Hiroaki; Konomura, Souta","Thermosalience coupled to abrupt spin crossover with dynamic ligand motion in an iron(II) molecular crystal","CrystEngComm","2022","","","","","10.1039/D2CE00501H","","x-ray","0.71073","MoKα","","0.0899","0.0574","","","0.12","0.1332","","","","","","1.098","","","","has coordinates","275420","2022-05-13","22:38:35",""
"7244931","10.7263","0.0003","11.7","0.0004","21.7531","0.0007","90","","99.441","0.003","90","","2692.99","0.15","190","2","190","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 Fe N10 S2 -","- C24 H24 Fe N10 S2 -","- C96 H96 Fe4 N40 S8 -","4","0.5","","Hagiwara, Hiroaki; Konomura, Souta","Thermosalience coupled to abrupt spin crossover with dynamic ligand motion in an iron(II) molecular crystal","CrystEngComm","2022","","","","","10.1039/D2CE00501H","","x-ray","0.71073","MoKα","","0.0452","0.037","","","0.099","0.105","","","","","","1.062","","","","has coordinates","275420","2022-05-13","22:38:36",""
"7244932","11.2148","0.0006","11.48","0.0004","20.4163","0.001","90","","98.314","0.005","90","","2600.9","0.2","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Fe N10 S2 -","- C24 H24 Fe N10 S2 -","- C96 H96 Fe4 N40 S8 -","4","1","","Hagiwara, Hiroaki; Konomura, Souta","Thermosalience coupled to abrupt spin crossover with dynamic ligand motion in an iron(II) molecular crystal","CrystEngComm","2022","","","","","10.1039/D2CE00501H","","x-ray","0.71073","MoKα","","0.1142","0.0654","","","0.1408","0.161","","","","","","1.074","","","","has coordinates","275420","2022-05-13","22:38:36",""
"7244933","11.2176","0.0006","11.4699","0.0004","20.3726","0.0009","90","","98.28","0.004","90","","2593.9","0.2","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Fe N10 S2 -","- C24 H24 Fe N10 S2 -","- C96 H96 Fe4 N40 S8 -","4","1","","Hagiwara, Hiroaki; Konomura, Souta","Thermosalience coupled to abrupt spin crossover with dynamic ligand motion in an iron(II) molecular crystal","CrystEngComm","2022","","","","","10.1039/D2CE00501H","","x-ray","0.71073","MoKα","","0.0936","0.0572","","","0.1125","0.126","","","","","","1.1","","","","has coordinates","275420","2022-05-13","22:38:37",""
"7244934","10.8131","0.0004","11.8013","0.0005","21.8679","0.0007","90","","99.875","0.003","90","","2749.19","0.18","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 Fe N10 S2 -","- C24 H24 Fe N10 S2 -","- C96 H96 Fe4 N40 S8 -","4","0.5","","Hagiwara, Hiroaki; Konomura, Souta","Thermosalience coupled to abrupt spin crossover with dynamic ligand motion in an iron(II) molecular crystal","CrystEngComm","2022","","","","","10.1039/D2CE00501H","","x-ray","0.71073","MoKα","","0.0536","0.0381","","","0.1043","0.1141","","","","","","1.039","","","","has coordinates","275420","2022-05-13","22:38:37",""
"7244935","10.7423","0.0003","11.7166","0.0004","21.8606","0.0008","90","","99.702","0.003","90","","2712.09","0.16","230","2","230","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 Fe N10 S2 -","- C24 H24 Fe N10 S2 -","- C96 H96 Fe4 N40 S8 -","4","0.5","","Hagiwara, Hiroaki; Konomura, Souta","Thermosalience coupled to abrupt spin crossover with dynamic ligand motion in an iron(II) molecular crystal","CrystEngComm","2022","","","","","10.1039/D2CE00501H","","x-ray","0.71073","MoKα","","0.0452","0.0353","","","0.0962","0.1034","","","","","","1.056","","","","has coordinates","275420","2022-05-13","22:38:37",""
"7244936","28.773","0.004","7.4823","0.0005","7.5607","0.0005","90","","91.416","0.009","90","","1627.2","0.3","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","BTDBS-nBuA","","- C28 H36 N2 O6 S4 -","- C28 H36 N2 O6 S4 -","- C56 H72 N4 O12 S8 -","2","0.5","","Akai, Ryota; Oka, Kouki; Nishida, Ryunosuke; Tohnai, Norimitsu","Systematic arrangement control of functional organic molecules","CrystEngComm","2022","","","","","10.1039/D2CE00336H","","x-ray","1.54184","CuKα","","0.1243","0.0933","","","0.2209","0.2346","","","","","","1.106","","","","has coordinates","275421","2022-05-13","22:39:44",""
"7244937","27.9234","0.0007","7.4749","0.0002","7.6043","0.0002","90","","94.855","0.003","90","","1581.51","0.07","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","BTDS-isoBuA","","- C28 H36 N2 O6 S4 -","- C28 H36 N2 O6 S4 -","- C56 H72 N4 O12 S8 -","2","0.5","","Akai, Ryota; Oka, Kouki; Nishida, Ryunosuke; Tohnai, Norimitsu","Systematic arrangement control of functional organic molecules","CrystEngComm","2022","","","","","10.1039/D2CE00336H","","x-ray","1.54184","CuKα","","0.0736","0.053","","","0.1326","0.1441","","","","","","1.042","","","","has coordinates","275421","2022-05-13","22:39:45",""
"7244938","6.3519","0.0006","6.3675","0.0005","21.247","0.0011","86.182","0.005","83.257","0.006","63.396","0.009","762.95","0.12","293","","293","","","","","","","","","5","P -1","-P 1","2","","BTDS-tBuA","","- C14 H18 N O3 S2 -","- C14 H18 N O3 S2 -","- C28 H36 N2 O6 S4 -","2","1","","Akai, Ryota; Oka, Kouki; Nishida, Ryunosuke; Tohnai, Norimitsu","Systematic arrangement control of functional organic molecules","CrystEngComm","2022","","","","","10.1039/D2CE00336H","","x-ray","1.54184","CuKα","","0.0758","0.0677","","","0.1913","0.203","","","","","","1.05","","","","has coordinates","275421","2022-05-13","22:39:45",""
"7244939","16.8387","0.0011","6.0329","0.0004","13.8772","0.001","90","","102.928","0.007","90","","1374","0.17","213","","213","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","BTDBS","","- C24 H30 O12 S4 -","- C24 H30 O12 S4 -","- C48 H60 O24 S8 -","2","0.5","","Akai, Ryota; Oka, Kouki; Nishida, Ryunosuke; Tohnai, Norimitsu","Systematic arrangement control of functional organic molecules","CrystEngComm","2022","","","","","10.1039/D2CE00336H","","x-ray","1.54184","CuKα","","0.1177","0.064","","","0.1502","0.1816","","","","","","0.927","","","","has coordinates","275421","2022-05-13","22:39:45",""
"7244940","23.2637","0.0008","6.0279","0.0002","11.1259","0.0003","90","","97.013","0.003","90","","1548.53","0.09","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","BTDS-rac-sec-BuA","","- C28 H34 N2 O6 S4 -","- C27.184 H33.552 N2 O6 S4 -","- C54.368 H67.104 N4 O12 S8 -","2","0.5","","Akai, Ryota; Oka, Kouki; Nishida, Ryunosuke; Tohnai, Norimitsu","Systematic arrangement control of functional organic molecules","CrystEngComm","2022","","","","","10.1039/D2CE00336H","","x-ray","1.54184","CuKα","","0.0575","0.0469","","","0.1404","0.1492","","","","","","1.062","","","","has coordinates,has disorder","275421","2022-05-13","22:39:45",""
"7244941","5.6878","0.0001","7.8658","0.0001","16.9636","0.0002","86.368","0.001","89.98","0.001","89.868","0.001","757.41","0.019","213","","213","","","","","","","","","3","P -1","-P 1","2","","BTDPh","","- C20 H14 S2 -","- C20 H14 S2 -","- C40 H28 S4 -","2","1","","Akai, Ryota; Oka, Kouki; Nishida, Ryunosuke; Tohnai, Norimitsu","Systematic arrangement control of functional organic molecules","CrystEngComm","2022","","","","","10.1039/D2CE00336H","","x-ray","1.54184","CuKα","","0.0615","0.0594","","","0.144","0.1446","","","","","","1.221","","","","has coordinates","275421","2022-05-13","22:39:45",""
"7244945","9.0918","0.0007","11.6305","0.0009","13.6079","0.0011","74.944","0.003","89.612","0.003","67.549","0.003","1277.31","0.18","273.15","","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H19 Cl2 Co N4 O5 -","- C28 H19 Cl2 Co N4 O5 -","- C56 H38 Cl4 Co2 N8 O10 -","2","1","","Tian, Zhengfang; Moorthy, Shruti; Xiang, Huan; Peng, Peng; You, Maolin; Zhang, Qian; Yang, Shun-Yi; Zhang, Yang-Lu; Wu, Dong-Qing; Singh, Saurabh Kumar; Shao, Dong","Tuning chain topologies and magnetic anisotropy in one-dimensional cobalt(ii) coordination polymers via distinct dicarboxylates","CrystEngComm","2022","","","","","10.1039/D2CE00437B","","","0.71073","MoKα","","0.0443","0.0355","","","0.0927","0.0988","","","","","","1.026","","","","has coordinates","275493","2022-05-17","22:34:04",""
"7244946","8.475","0.0006","11.172","0.0008","13.5758","0.001","101.581","0.003","91.522","0.003","100.108","0.002","1237.13","0.16","189.98","","189.98","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H21 Co N4 O4 -","- C32 H21 Co N4 O4 -","- C64 H42 Co2 N8 O8 -","2","1","","Tian, Zhengfang; Moorthy, Shruti; Xiang, Huan; Peng, Peng; You, Maolin; Zhang, Qian; Yang, Shun-Yi; Zhang, Yang-Lu; Wu, Dong-Qing; Singh, Saurabh Kumar; Shao, Dong","Tuning chain topologies and magnetic anisotropy in one-dimensional cobalt(ii) coordination polymers via distinct dicarboxylates","CrystEngComm","2022","","","","","10.1039/D2CE00437B","","","0.71073","MoKα","","0.0909","0.0692","","","0.1978","0.2163","","","","","","1.055","","","","has coordinates","275493","2022-05-17","22:34:05",""
"7244949","12.7428","0.0006","9.5341","0.0003","8.5326","0.0003","90","","90","","90","","1036.64","0.07","413","5","413","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ag3 B6 I O10 -","- Ag2.999 B6 I O10 -","- Ag11.996 B24 I4 O40 -","4","0.5","","Volkov, Sergey; Charkin, Dmitri O.; Arsentev, Maxim; Aksenov, Sergey; Manelis, Lev; Krzhizhanovskaya, Maria; Sinelshikova, Olga; Ugolkov, Valeriy Leonidovich; Povolotskiy, Alexey; Shilovskikh, Vladimir; Antonov, Andrey; Bubnova, Rimma","Where the extraordinaries meet: a cascade of isosymmetrical superionic phase transitions and negative thermal expansion in a novel silver salt-inclusion borate halide","CrystEngComm","2022","","","","","10.1039/D2CE00307D","","x-ray","0.71073","MoKα","","0.0794","0.059","","","0.0741","0.0761","","","","3.74","3.74","3.24","","","","has coordinates","275527","2022-05-18","22:41:06",""
"7244950","12.7477","0.0005","9.5347","0.0003","8.5287","0.0003","90","0.003","90","0.003","90","0.003","1036.63","0.06","393","5","393","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ag3 B6 I O10 -","- Ag2.999 B6 I O10 -","- Ag11.996 B24 I4 O40 -","4","0.5","","Volkov, Sergey; Charkin, Dmitri O.; Arsentev, Maxim; Aksenov, Sergey; Manelis, Lev; Krzhizhanovskaya, Maria; Sinelshikova, Olga; Ugolkov, Valeriy Leonidovich; Povolotskiy, Alexey; Shilovskikh, Vladimir; Antonov, Andrey; Bubnova, Rimma","Where the extraordinaries meet: a cascade of isosymmetrical superionic phase transitions and negative thermal expansion in a novel silver salt-inclusion borate halide","CrystEngComm","2022","","","","","10.1039/D2CE00307D","","x-ray","0.71073","MoKα","","0.0794","0.0599","","","0.0744","0.0761","","","","3.73","3.73","3.21","","","","has coordinates","275527","2022-05-18","22:41:08",""
"7244951","12.7504","0.0005","9.537","0.0003","8.5317","0.0003","90","","90","","90","","1037.46","0.06","383","4","383","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ag3 B6 I O10 -","- Ag2.9992 B6 I O10 -","- Ag11.9968 B24 I4 O40 -","4","0.5","","Volkov, Sergey; Charkin, Dmitri O.; Arsentev, Maxim; Aksenov, Sergey; Manelis, Lev; Krzhizhanovskaya, Maria; Sinelshikova, Olga; Ugolkov, Valeriy Leonidovich; Povolotskiy, Alexey; Shilovskikh, Vladimir; Antonov, Andrey; Bubnova, Rimma","Where the extraordinaries meet: a cascade of isosymmetrical superionic phase transitions and negative thermal expansion in a novel silver salt-inclusion borate halide","CrystEngComm","2022","","","","","10.1039/D2CE00307D","","x-ray","0.71073","MoKα","","0.0798","0.0596","","","0.0716","0.0732","","","","3.69","3.69","3.16","","","","has coordinates","275527","2022-05-18","22:41:08",""
"7244952","12.7702","0.0006","9.5617","0.0004","8.5156","0.0004","90","","90","","90","","1039.8","0.08","573","0.5","573","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ag3 B6 I O10 -","- Ag3 B6 I O10 -","- Ag12 B24 I4 O40 -","4","0.5","","Volkov, Sergey; Charkin, Dmitri O.; Arsentev, Maxim; Aksenov, Sergey; Manelis, Lev; Krzhizhanovskaya, Maria; Sinelshikova, Olga; Ugolkov, Valeriy Leonidovich; Povolotskiy, Alexey; Shilovskikh, Vladimir; Antonov, Andrey; Bubnova, Rimma","Where the extraordinaries meet: a cascade of isosymmetrical superionic phase transitions and negative thermal expansion in a novel silver salt-inclusion borate halide","CrystEngComm","2022","","","","","10.1039/D2CE00307D","","x-ray","0.71073","MoKα","","0.1187","0.0581","","","0.0571","0.0628","","","","3.16","3.16","2.39","","","","has coordinates","275527","2022-05-18","22:41:08",""
"7244953","12.8162","0.0006","9.9063","0.0005","7.6762","0.0004","90","","90","","90","","974.58","0.08","293","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- B6 I Na3 O10 -","- B6 I Na3 O10 -","- B24 I4 Na12 O40 -","4","0.5","","Volkov, Sergey; Charkin, Dmitri O.; Arsentev, Maxim; Aksenov, Sergey; Manelis, Lev; Krzhizhanovskaya, Maria; Sinelshikova, Olga; Ugolkov, Valeriy Leonidovich; Povolotskiy, Alexey; Shilovskikh, Vladimir; Antonov, Andrey; Bubnova, Rimma","Where the extraordinaries meet: a cascade of isosymmetrical superionic phase transitions and negative thermal expansion in a novel silver salt-inclusion borate halide","CrystEngComm","2022","","","","","10.1039/D2CE00307D","","x-ray","0.71073","MoKα","","0.0394","0.0277","","","0.0296","0.0309","","","","1.44","1.44","1.33","","","","has coordinates","275527","2022-05-18","22:41:08",""
"7244954","12.7566","0.0015","9.705","0.0012","8.4295","0.001","90","","90","","90","","1043.6","0.2","293","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ag3 B6 I O10 -","- Ag3 B6 I O10 -","- Ag12 B24 I4 O40 -","4","0.5","","Volkov, Sergey; Charkin, Dmitri O.; Arsentev, Maxim; Aksenov, Sergey; Manelis, Lev; Krzhizhanovskaya, Maria; Sinelshikova, Olga; Ugolkov, Valeriy Leonidovich; Povolotskiy, Alexey; Shilovskikh, Vladimir; Antonov, Andrey; Bubnova, Rimma","Where the extraordinaries meet: a cascade of isosymmetrical superionic phase transitions and negative thermal expansion in a novel silver salt-inclusion borate halide","CrystEngComm","2022","","","","","10.1039/D2CE00307D","","x-ray","0.71073","MoKα","","0.0471","0.0311","","","0.0358","0.0378","","","","1.83","1.83","1.66","","","","has coordinates","275527","2022-05-18","22:41:08",""
"7244955","12.7726","0.0007","9.5739","0.0005","8.4899","0.0005","90","","90","","90","","1038.18","0.1","673","0.6","673","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ag3 B6 I O10 -","- Ag2.998 B6 I O10 -","- Ag11.992 B24 I4 O40 -","4","0.5","","Volkov, Sergey; Charkin, Dmitri O.; Arsentev, Maxim; Aksenov, Sergey; Manelis, Lev; Krzhizhanovskaya, Maria; Sinelshikova, Olga; Ugolkov, Valeriy Leonidovich; Povolotskiy, Alexey; Shilovskikh, Vladimir; Antonov, Andrey; Bubnova, Rimma","Where the extraordinaries meet: a cascade of isosymmetrical superionic phase transitions and negative thermal expansion in a novel silver salt-inclusion borate halide","CrystEngComm","2022","","","","","10.1039/D2CE00307D","","x-ray","0.71073","MoKα","","0.1045","0.0598","","","0.0631","0.0681","","","","3","3","2.37","","","","has coordinates","275527","2022-05-18","22:41:08",""
"7244959","18.2765","0.0012","6.1664","0.0003","35.009","0.002","90","","90.6002","0.0019","90","","3945.3","0.4","290","1","290","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H24 N2 O4 -","- C22 H24 N2 O4 -","- C176 H192 N16 O32 -","8","1","","Kim, Paul; Lee, In-Seo; Kim, Ji-Yoon; Mswahili, Medard E.; Jeong, Young-Seob; Yoon, Woo-Jin; Yun, Ho-Seop; Lee, Min-Jeong; Choi, Guang J.","A study to discover novel pharmaceutical cocrystals of pelubiprofen with a machine learning approach compared","CrystEngComm","2022","","","","","10.1039/D2CE00153E","","","0.7107","MoKα","","0.1105","0.0489","","","0.1314","0.1792","","","","","","1.133","","","","has coordinates","275560","2022-05-19","22:32:49",""
"7244960","6.2836","0.0013","10.928","0.002","12.159","0.002","108.19","0.03","99.76","0.03","104.73","0.03","738.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 Cl N2 O3 -","- C15 H15 Cl N2 O3 -","- C30 H30 Cl2 N4 O6 -","2","1","","Lazić, Anita; Radovanović, Lidija; Gak Simić, Kristina; Rogan, Jelena; Janjić, Goran; Trišović, Nemanja; Đorđević, Ivana","Unravelling conformational and crystal packing preferences of cyclohexane-5-spirohydantoin derivatives incorporating a halogenated benzoyl group","CrystEngComm","2022","","","","","10.1039/D2CE00376G","","","0.71073","MoKα","","0.0821","0.0548","","","0.1157","0.1288","","","","","","1.031","","","","has coordinates,has disorder","275561","2022-05-19","22:33:25",""
"7244961","6.6479","0.0013","10.089","0.002","12.122","0.002","106.54","0.03","100.99","0.03","91.53","0.03","762.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 Br N2 O3 -","- C15 H15 Br N2 O3 -","- C30 H30 Br2 N4 O6 -","2","1","","Lazić, Anita; Radovanović, Lidija; Gak Simić, Kristina; Rogan, Jelena; Janjić, Goran; Trišović, Nemanja; Đorđević, Ivana","Unravelling conformational and crystal packing preferences of cyclohexane-5-spirohydantoin derivatives incorporating a halogenated benzoyl group","CrystEngComm","2022","","","","","10.1039/D2CE00376G","","","0.71073","MoKα","","0.0774","0.0563","","","0.1194","0.1303","","","","","","1.032","","","","has coordinates,has disorder","275561","2022-05-19","22:33:25",""
"7244965","10.1212","0.0003","10.9593","0.0003","15.0495","0.0004","99.2496","0.0019","96.1945","0.0017","107.955","0.0016","1545.16","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H36 Co N4 O9 -","- C31 H36 Co N4 O9 -","- C62 H72 Co2 N8 O18 -","2","1","","Hu, Ji-Hong; Liu, Yuan-Chin; Liu, Yu-Hsiang; Chen, Jhy-Der","Structural transformations in cobalt(ii) coordination polymers constructed from flexible N,N′-bis(3-pyridylmethyl)sebacoamide and benzene-1,3,5-tricarboxylic acid","CrystEngComm","2022","","","","","10.1039/D2CE00308B","","","0.71073","MoKα","","0.1239","0.0559","","","0.1012","0.1207","","","","","","1.004","","","","has coordinates","275587","2022-05-20","22:45:33",""
"7244966","10.166","0.0012","10.6958","0.0012","11.4013","0.0013","95.187","0.003","93.313","0.003","93.016","0.002","1230.5","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H30 Co1.5 N2 O12 -","- C21 H30 Co1.5 N2 O12 -","- C42 H60 Co3 N4 O24 -","2","1","","Hu, Ji-Hong; Liu, Yuan-Chin; Liu, Yu-Hsiang; Chen, Jhy-Der","Structural transformations in cobalt(ii) coordination polymers constructed from flexible N,N′-bis(3-pyridylmethyl)sebacoamide and benzene-1,3,5-tricarboxylic acid","CrystEngComm","2022","","","","","10.1039/D2CE00308B","","","0.71073","MoKα","","0.0632","0.0433","","","0.1044","0.1139","","","","","","1.039","","","","has coordinates","275587","2022-05-20","22:45:34",""
"7244967","15.0213","0.0015","15.7466","0.0015","16.7676","0.0016","88.056","0.005","70.721","0.004","86.869","0.005","3737.6","0.6","299","2","299","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H94 Co2 N8 O29 -","- C62 H94 Co2 N8 O29 -","- C124 H188 Co4 N16 O58 -","2","1","","Hu, Ji-Hong; Liu, Yuan-Chin; Liu, Yu-Hsiang; Chen, Jhy-Der","Structural transformations in cobalt(ii) coordination polymers constructed from flexible N,N′-bis(3-pyridylmethyl)sebacoamide and benzene-1,3,5-tricarboxylic acid","CrystEngComm","2022","","","","","10.1039/D2CE00308B","","","0.71073","MoKα","","0.0935","0.0539","","","0.1409","0.1644","","","","","","1.033","","","","has coordinates","275587","2022-05-20","22:45:34",""
"7244968","17.2258","0.0006","17.7139","0.0005","20.0489","0.0006","90","","97.2443","0.0017","90","","6068.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H76 Co3 N4 O24 -","- C50 H73.5 Co3 N4 O24 -","- C200 H294 Co12 N16 O96 -","4","1","","Hu, Ji-Hong; Liu, Yuan-Chin; Liu, Yu-Hsiang; Chen, Jhy-Der","Structural transformations in cobalt(ii) coordination polymers constructed from flexible N,N′-bis(3-pyridylmethyl)sebacoamide and benzene-1,3,5-tricarboxylic acid","CrystEngComm","2022","","","","","10.1039/D2CE00308B","","","0.71073","MoKα","","0.0824","0.0791","","","0.1735","0.1752","","","","","","1.054","","","","has coordinates,has disorder","275587","2022-05-20","22:45:34",""
"7244974","16.21","0.002","10.5207","0.0016","6.336","0.0009","90","","90","","90","","1080.5","0.3","123","","123","","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C8 H14 N4 Ni O4 -","- C8 H14 N4 Ni O4 -","- C32 H56 N16 Ni4 O16 -","4","0.25","","Sugimoto, Akira; Kusumoto, Sotaro; Nakaya, Manabu; Sekine, Yoshihiro; Lindoy, Leonard F.; Hayami, Shinya","Modulation of the elasticity of single crystal, 1-D metal dimethylglyoximato complexes via solid solution effect","CrystEngComm","2022","","","","","10.1039/D2CE00402J","","x-ray","0.71073","MoKα","","0.0566","0.048","","","0.1277","0.1333","","","","","","0.979","","","","has coordinates,has disorder","275628","2022-05-24","22:30:44",""
"7244975","16.3415","0.001","10.6382","0.0006","6.3897","0.0004","90","","90","","90","","1110.81","0.12","123","","123","","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C8 H14 N4 O4 Pd -","- C8 H14 N4 O4 Pd -","- C32 H56 N16 O16 Pd4 -","4","0.25","","Sugimoto, Akira; Kusumoto, Sotaro; Nakaya, Manabu; Sekine, Yoshihiro; Lindoy, Leonard F.; Hayami, Shinya","Modulation of the elasticity of single crystal, 1-D metal dimethylglyoximato complexes via solid solution effect","CrystEngComm","2022","","","","","10.1039/D2CE00402J","","x-ray","0.71073","MoKα","","0.0215","0.0207","","","0.0592","0.06","","","","","","1.093","","","","has coordinates,has disorder","275628","2022-05-24","22:30:45",""
"7244976","16.2744","0.0011","10.6919","0.0007","6.3727","0.0004","90","","90","","90","","1108.88","0.13","123","","123","","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C8 H14 N4 O4 Pt -","- C8 H14 N4 O4 Pt -","- C32 H56 N16 O16 Pt4 -","4","0.25","","Sugimoto, Akira; Kusumoto, Sotaro; Nakaya, Manabu; Sekine, Yoshihiro; Lindoy, Leonard F.; Hayami, Shinya","Modulation of the elasticity of single crystal, 1-D metal dimethylglyoximato complexes via solid solution effect","CrystEngComm","2022","","","","","10.1039/D2CE00402J","","x-ray","0.71073","MoKα","","0.0215","0.017","","","0.0439","0.0456","","","","","","1.111","","","","has coordinates,has disorder","275628","2022-05-24","22:30:45",""
"7244977","10.5843","0.0008","16.3239","0.0011","6.3513","0.0004","90","","90","","90","","1097.36","0.13","123","","123","","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C8 H14 N4 Ni0.54 O4 Pt0.45 -","- C8 H14 N4 Ni0.551 O4 Pt0.449 -","- C32 H56 N16 Ni2.204 O16 Pt1.796 -","4","0.25","","Sugimoto, Akira; Kusumoto, Sotaro; Nakaya, Manabu; Sekine, Yoshihiro; Lindoy, Leonard F.; Hayami, Shinya","Modulation of the elasticity of single crystal, 1-D metal dimethylglyoximato complexes via solid solution effect","CrystEngComm","2022","","","","","10.1039/D2CE00402J","","","0.71073","MoKα","","0.0303","0.0229","","","0.0542","0.0561","","","","","","1.123","","","","has coordinates,has disorder","275628","2022-05-24","22:30:45",""
"7244978","10.5483","0.0007","16.3439","0.001","6.3648","0.0004","90","","90","","90","","1097.29","0.12","123","","123","","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C8 H14 N4 Ni0.6 O4 Pd0.4 -","- C8 H14 N4 Ni0.599 O4 Pd0.401 -","- C32 H56 N16 Ni2.396 O16 Pd1.604 -","4","0.25","","Sugimoto, Akira; Kusumoto, Sotaro; Nakaya, Manabu; Sekine, Yoshihiro; Lindoy, Leonard F.; Hayami, Shinya","Modulation of the elasticity of single crystal, 1-D metal dimethylglyoximato complexes via solid solution effect","CrystEngComm","2022","","","","","10.1039/D2CE00402J","","x-ray","0.71073","MoKα","","0.0251","0.0219","","","0.0538","0.0554","","","","","","1.103","","","","has coordinates,has disorder","275628","2022-05-24","22:30:45",""
"7244979","16.3923","0.0012","10.6456","0.0007","6.398","0.0004","90","","90","","90","","1116.49","0.13","123","","123","","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C8 H14 N4 O4 Pd0.5 Pt0.5 -","- C8 H14 N4 O4 Pd0.507 Pt0.493 -","- C32 H56 N16 O16 Pd2.028 Pt1.972 -","4","0.25","","Sugimoto, Akira; Kusumoto, Sotaro; Nakaya, Manabu; Sekine, Yoshihiro; Lindoy, Leonard F.; Hayami, Shinya","Modulation of the elasticity of single crystal, 1-D metal dimethylglyoximato complexes via solid solution effect","CrystEngComm","2022","","","","","10.1039/D2CE00402J","","","0.71073","MoKα","","0.0277","0.0214","","","0.0572","0.0605","","","","","","1.089","","","","has coordinates,has disorder","275628","2022-05-24","22:30:45",""
"7244980","27.174","0.007","40.969","0.012","41.406","0.012","90","","90","","90","","46097","2","190","1","190","1","","","","","","","","6","P n n n :2","-P 2ab 2bc","48","","nanocage-1","","- C408 H548 Cd24 N24 Nd8 O144 -","- C408 H548 Cd24 N24 Nd8 O144 -","- C816 H1096 Cd48 N48 Nd16 O288 -","2","0.25","","Ma, Yanan; Yang, Xiaoping; Leng, Xilong; Liu, Xiaoming; Schipper, Desmond","A high-nuclearity Cd(II)-Nd(III) nanocage for the rapid ratiometric fluorescent detection of quercetin","CrystEngComm","2022","","","","","10.1039/D2CE00556E","","","0.71073","MoKα","","0.2066","0.0994","","","0.2103","0.2359","","","","","","1.046","","","","has coordinates","275629","2022-05-24","22:31:52",""
"7244981","29.8693","0.0016","29.8693","0.0016","21.918","0.003","90","","90","","90","","19555","3","190","1","190","1","","","","","","","","6","P 4 n c","P 4 -2n","104","","cluster-1","","- C272 H264 Cd8 N16 O68 Tb4 -","- C272 H264 Cd8 N16 O68 Tb4 -","- C544 H528 Cd16 N32 O136 Tb8 -","2","0.25","","Ma, Yanan; Yang, Xiaoping; Leng, Xilong; Schipper, Desmond","Construction of a Cd8Tb4 nanoring for luminescence response to 2,6-dipicolinic acid as an anthrax biomarker","CrystEngComm","2022","","","","","10.1039/D2CE00502F","","","0.71073","MoKα","","0.2175","0.098","","","0.174","0.2272","","","","","","0.934","","","","has coordinates","275630","2022-05-24","22:32:26",""
"7244987","12.377","0.003","9.4953","0.0013","10.2036","0.0015","90","","90","","90","","1199.2","0.4","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C22.5 H22.5 Fe N7.5 O3.5 -","- C22.5 H22.5 Fe N7.5 O3.5 -","- C45 H45 Fe2 N15 O7 -","2","0.5","","Chumakov, Yuri; Danilescu, Olga; Bourosh, P.; Kulikova, Olga V.; Bulhac, Ion; Croitor, Lilia","Metal ions impact on the isostructurality and properties of 2D coordination polymers","CrystEngComm","2022","","","","","10.1039/D2CE00444E","","","0.71073","MoKα","","0.1393","0.0775","","","0.1142","0.1381","","","","","","1","","","","has coordinates,has disorder","275659","2022-05-26","22:30:49",""
"7244988","12.2124","0.0005","9.47","0.0004","10.267","0.0006","90","","90","","90","","1187.39","0.1","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C24 H24 Co N8 O3 -","- C24 H24 Co N8 O3 -","- C48 H48 Co2 N16 O6 -","2","0.5","","Chumakov, Yuri; Danilescu, Olga; Bourosh, P.; Kulikova, Olga V.; Bulhac, Ion; Croitor, Lilia","Metal ions impact on the isostructurality and properties of 2D coordination polymers","CrystEngComm","2022","","","","","10.1039/D2CE00444E","","","0.71073","MoKα","","0.0537","0.0421","","","0.077","0.0828","","","","","","1.003","","","","has coordinates,has disorder","275659","2022-05-26","22:30:50",""
"7244989","5.692","0.001","10.588","0.002","10.925","0.002","90","","93.14","0.03","90","","657.4","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H13 Br2 N O5 -","- C9 H13 Br2 N O5 -","- C18 H26 Br4 N2 O10 -","2","1","","Sori, Lorenzo; Pizzi, Andrea; Demitri, Nicola; Terraneo, Giancarlo; Frontera, Antonio; Metrangolo, Pierangelo","Hydrogen- and halogen bond synergy in the self-assembly of 3,5-dihalo-tyrosines: structural and theoretical insights","CrystEngComm","2022","","","","","10.1039/D2CE00670G","","","0.7","Synchrotron","","0.0446","0.0445","","","0.1096","0.1097","","","","","","1.139","","","","has coordinates","275660","2022-05-26","22:31:26",""
"7244990","7.3436","0.0002","7.4422","0.0002","20.8254","0.0007","90","","90","","90","","1138.16","0.06","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H11 Cl2 N O4 -","- C9 H11 Cl2 N O4 -","- C36 H44 Cl8 N4 O16 -","4","1","","Sori, Lorenzo; Pizzi, Andrea; Demitri, Nicola; Terraneo, Giancarlo; Frontera, Antonio; Metrangolo, Pierangelo","Hydrogen- and halogen bond synergy in the self-assembly of 3,5-dihalo-tyrosines: structural and theoretical insights","CrystEngComm","2022","","","","","10.1039/D2CE00670G","","","0.71073","MoKα","","0.0186","0.0181","","","0.0505","0.0508","","","","","","1.078","","","","has coordinates","275660","2022-05-26","22:31:27",""
"7244991","12.3437","0.0015","8.2271","0.001","22.439","0.003","90","","102.322","0.002","90","","2226.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","TORASEMIDE FUMARATE (1:1) SALT","","- C20 H24 N4 O7 S -","- C20 H24 N4 O7 S -","- C80 H96 N16 O28 S4 -","4","1","","Garg, Monika; Singh, Mayank K.; Koli, Saylee Manohar; Sreedhar, Bojja; Ramakrishna, Sistla; Nanubolu, Jagadeesh Babu","Crystalline salts of a diuretic drug torasemide with improved solubility and dissolution properties","CrystEngComm","2022","","","","","10.1039/D2CE00383J","","","0.71073","MoKα","","0.0555","0.0496","","","0.1273","0.1318","","","","","","1.094","","","","has coordinates","275671","2022-05-27","22:30:24",""
"7244992","8.9904","0.001","11.8567","0.0013","18.285","0.002","90","","102.807","0.002","90","","1900.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","TORASEMIDE OXALATE SALT","","- C17 H21 N4 O5 S -","- C17 H21 N4 O5 S -","- C68 H84 N16 O20 S4 -","4","1","","Garg, Monika; Singh, Mayank K.; Koli, Saylee Manohar; Sreedhar, Bojja; Ramakrishna, Sistla; Nanubolu, Jagadeesh Babu","Crystalline salts of a diuretic drug torasemide with improved solubility and dissolution properties","CrystEngComm","2022","","","","","10.1039/D2CE00383J","","","0.71073","MoKα","","0.0666","0.0614","","","0.1355","0.1384","","","","","","1.207","","","","has coordinates","275671","2022-05-27","22:30:32",""
"7244993","20.8221","0.0017","12.0329","0.001","17.7085","0.0015","90","","113.465","0.001","90","","4070","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34.56 H44.24 N8 O10.56 S2 -","- C34.56 H44.24 N8 O10.56 S2 -","- C138.24 H176.96 N32 O42.24 S8 -","4","1","","Garg, Monika; Singh, Mayank K.; Koli, Saylee Manohar; Sreedhar, Bojja; Ramakrishna, Sistla; Nanubolu, Jagadeesh Babu","Crystalline salts of a diuretic drug torasemide with improved solubility and dissolution properties","CrystEngComm","2022","","","","","10.1039/D2CE00383J","","","0.71073","MoKα","","0.0775","0.0578","","","0.1399","0.1506","","","","","","1.104","","","","has coordinates,has disorder","275671","2022-05-27","22:30:39",""
"7244994","23.557","0.003","23.557","0.003","12.4259","0.0016","90","","90","","90","","6895.5","1.5","123","2","123","2","","","","","","","","5","P 42/m","-P 4c","84","","","","- C16.61 H102.08 Cl N O33.04 -","- C16.6111 H85.293 Cl1.026 N O34.2641 -","- C83.0556 H426.465 Cl5.13 N5 O171.32 -","5","0.625","","Muromachi, Sanehiro; Takeya, Satoshi; Alavi, Saman; Ripmeester, John A.","Structural CO2 capture preference of semiclathrate hydrate formed with tetra-n-butylammonium chloride","CrystEngComm","2022","","","","","10.1039/D2CE00598K","","","0.7107","MoKα","","0.0877","0.0595","","","0.1563","0.1746","","","","","","1.03","","","","has coordinates,has disorder","275672","2022-05-27","22:31:28",""
"7244995","12.15","0.0002","13.1041","0.0002","13.7735","0.0002","90","","112.503","0.002","90","","2025.97","0.06","292.1","0.8","292.1","0.8","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C12 H5.5 Cl N2.5 -","- C12 H5.5 Cl N2.5 -","- C96 H44 Cl8 N20 -","8","1","","Shi, Pan; Liu, Xiao-Xu; Dai, Xia-Lin; Lu, Tongbu; Chen, Jia-Mei","Near-infrared photothermal conversion property of carbazole-based cocrystals with different degree of charge transfer","CrystEngComm","2022","","","","","10.1039/D2CE00523A","","x-ray","1.54184","CuKα","","0.0428","0.0418","","","0.1194","0.1208","","","","","","1.065","","","","has coordinates","275673","2022-05-27","22:32:10",""
"7244996","12.3323","0.0004","13.1469","0.0003","13.9845","0.0005","90","","113.945","0.004","90","","2072.19","0.13","293.74","0.1","293.74","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C12 H5.5 Br N2.5 -","- C12 H5.5 Br0.9999 N2.5 -","- C96 H44 Br7.9992 N20 -","8","1","","Shi, Pan; Liu, Xiao-Xu; Dai, Xia-Lin; Lu, Tongbu; Chen, Jia-Mei","Near-infrared photothermal conversion property of carbazole-based cocrystals with different degree of charge transfer","CrystEngComm","2022","","","","","10.1039/D2CE00523A","","x-ray","1.54184","CuKα","","0.0366","0.0352","","","0.0951","0.0963","","","","","","1.135","","","","has coordinates,has disorder","275673","2022-05-27","22:32:10",""
"7244998","11.6739","0.0009","16.4155","0.0012","9.8625","0.0007","90","","108.505","0.002","90","","1792.3","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 N4 O10 -","- C16 H16 N4 O10 -","- C64 H64 N16 O40 -","4","1","","Zong, Zhihui; Zhou, Feiya; Chang, Qinghua; Shen, Jingyi; Wang, Shan; Liang, Lili","Construction of highly energetic metal–organic frameworks with a nitrobenzene derivative","CrystEngComm","2022","24","21","3953","3961","10.1039/D2CE00464J","","","0.71073","MoKα","","0.1125","0.0554","","","0.099","0.1184","","","","","","1.056","","","","has coordinates","275692","2022-05-30","22:37:46",""
"7244999","29.0184","0.0013","9.5952","0.0005","16.245","0.0008","90","","120.293","0.001","90","","3905.6","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H14 Cd N4 O11 -","- C17 H14 Cd N4 O11 -","- C136 H112 Cd8 N32 O88 -","8","1","","Zong, Zhihui; Zhou, Feiya; Chang, Qinghua; Shen, Jingyi; Wang, Shan; Liang, Lili","Construction of highly energetic metal–organic frameworks with a nitrobenzene derivative","CrystEngComm","2022","24","21","3953","3961","10.1039/D2CE00464J","","","0.71073","MoKα","","0.0705","0.037","","","0.0609","0.0692","","","","","","1.017","","","","has coordinates","275692","2022-05-30","22:37:46",""
"7245000","8.0763","0.0004","13.5075","0.0007","14.4614","0.0007","102.125","0.002","98.222","0.002","105.058","0.002","1456.47","0.13","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H16 Cu N4 O12 -","- C17 H16 Cu N4 O12 -","- C34 H32 Cu2 N8 O24 -","2","1","","Zong, Zhihui; Zhou, Feiya; Chang, Qinghua; Shen, Jingyi; Wang, Shan; Liang, Lili","Construction of highly energetic metal–organic frameworks with a nitrobenzene derivative","CrystEngComm","2022","24","21","3953","3961","10.1039/D2CE00464J","","","0.71073","MoKα","","0.1024","0.079","","","0.1826","0.1936","","","","","","1.021","","","","has coordinates","275692","2022-05-30","22:37:47",""
"7245001","11.2472","0.0005","29.3","0.0016","13.5309","0.0007","90","","104.223","0.002","90","","4322.3","0.4","172","2","172","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C37 H35 N9 Nd O23 -","- C37 H35 N9 Nd O23 -","- C148 H140 N36 Nd4 O92 -","4","1","","Zong, Zhihui; Zhou, Feiya; Chang, Qinghua; Shen, Jingyi; Wang, Shan; Liang, Lili","Construction of highly energetic metal–organic frameworks with a nitrobenzene derivative","CrystEngComm","2022","24","21","3953","3961","10.1039/D2CE00464J","","","0.71073","MoKα","","0.0596","0.04","","","0.0582","0.0628","","","","","","1.032","","","","has coordinates,has disorder","275692","2022-05-30","22:37:47",""
"7245002","12.5032","0.0004","16.2167","0.0005","16.3789","0.0006","90","","105.745","0.004","90","","3196.39","0.19","150","2","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 N4 O2 S2 Sn -","- C32 H36 N4 O2 S2 Sn -","- C128 H144 N16 O8 S8 Sn4 -","4","1","","Singh, Amita; Singh, Ayushi; Srivastava, Devyani; Kociok-Köhn, Gabriele; Köhn, Randolf D.; Kumar, Abhinav; Muddassir, Mohd.","New di-n-butyltin(iv)-bis-(1-alkoxy-isoquinoline-4-nitrile thiolate): crystallographic and computational studies","CrystEngComm","2022","","","","","10.1039/D2CE00536K","","x-ray","0.71073","MoKα","","0.0651","0.0453","","","0.0887","0.0961","","","","","","1.082","","","","has coordinates,has disorder","275693","2022-05-30","22:38:41",""
"7245003","12.7211","0.0013","15.4901","0.0011","15.5655","0.0016","90","","106.496","0.011","90","","2941","0.5","150","2","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 N4 O2 S2 Sn -","- C30 H32 N4 O2 S2 Sn -","- C120 H128 N16 O8 S8 Sn4 -","4","1","","Singh, Amita; Singh, Ayushi; Srivastava, Devyani; Kociok-Köhn, Gabriele; Köhn, Randolf D.; Kumar, Abhinav; Muddassir, Mohd.","New di-n-butyltin(iv)-bis-(1-alkoxy-isoquinoline-4-nitrile thiolate): crystallographic and computational studies","CrystEngComm","2022","","","","","10.1039/D2CE00536K","","x-ray","0.71073","MoKα","","0.1203","0.0654","","","0.1257","0.1502","","","","","","1.041","","","","has coordinates,has disorder","275693","2022-05-30","22:38:41",""
"7245004","12.018","0.002","12.018","0.002","12.018","0.002","90","","90","","90","","1735.8","0.5","210","2","210","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C12 H16 Cr K N8 -","- C12 H15.9984 Cr K N7.9992 -","- C48 H63.9936 Cr4 K4 N31.9968 -","4","0.0208333","","Rok, Magdalena; Moskwa, Marcin; Hetmańczyk, Joanna; Hetmańczyk, Łukasz; Bator, Grazyna","Switchable dielectric constant, structural and vibrational studies of double perovskite organic-inorganic hybrids: (azetidinium)2[KCr(CN)6] and (azetidinium)2[KFe(CN)6]","CrystEngComm","2022","","","","","10.1039/D2CE00270A","","","0.71073","MoKα","","0.0322","0.0309","","","0.0951","0.0976","","","","","","1.141","","","","has coordinates","275706","2022-05-31","22:35:50",""
"7245005","14.12","0.003","8.627","0.003","14.871","0.002","90","","110.7","0.02","90","","1694.5","0.8","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 Cr K N8 -","- C12 H16 Cr K N8 -","- C48 H64 Cr4 K4 N32 -","4","1","","Rok, Magdalena; Moskwa, Marcin; Hetmańczyk, Joanna; Hetmańczyk, Łukasz; Bator, Grazyna","Switchable dielectric constant, structural and vibrational studies of double perovskite organic-inorganic hybrids: (azetidinium)2[KCr(CN)6] and (azetidinium)2[KFe(CN)6]","CrystEngComm","2022","","","","","10.1039/D2CE00270A","","","0.71073","MoKα","","0.1033","0.0818","","","0.2215","0.2487","","","","","","1.078","","","","has coordinates","275706","2022-05-31","22:35:50",""
"7245006","11.843","0.002","11.843","0.002","11.843","0.002","90","","90","","90","","1661.1","0.5","240","2","240","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C12 H16 Fe K N8 -","- C12 H15.9984 Fe K N7.9992 -","- C48 H63.9936 Fe4 K4 N31.9968 -","4","0.0208333","","Rok, Magdalena; Moskwa, Marcin; Hetmańczyk, Joanna; Hetmańczyk, Łukasz; Bator, Grazyna","Switchable dielectric constant, structural and vibrational studies of double perovskite organic-inorganic hybrids: (azetidinium)2[KCr(CN)6] and (azetidinium)2[KFe(CN)6]","CrystEngComm","2022","","","","","10.1039/D2CE00270A","","","0.71073","MoKα","","0.0393","0.0389","","","0.0969","0.0973","","","","","","1.232","","","","has coordinates","275706","2022-05-31","22:35:50",""
"7245007","9.5395","0.0005","13.2797","0.0007","20.6305","0.0012","90","","99.679","0.003","90","","2576.3","0.2","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylic acid","","- C30 H28 N2 O4 -","- C30 H28 N2 O4 -","- C120 H112 N8 O16 -","4","1","","Barton, Benita; Caira, Mino R.; Senekal, Ulrich; Hosten, Eric Cyriel","Selectivity considerations of host compound trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylic acid when presented with pyridine and picoline mixtures: charge-assisted versus classical hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D2CE00327A","","","0.71073","MoKα","","0.0603","0.0457","","","0.118","0.1334","","","","","","1.051","","","","has coordinates","275707","2022-05-31","22:36:52",""
"7245008","16.5185","0.0006","9.3246","0.0003","12.658","0.0005","90","","90","","90","","1949.69","0.12","200","2","200","2","","","","","","","","4","P n a 21","P 2c -2n","33","","trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylic acid","","- C24 H21 N O4 -","- C24 H21 N O4 -","- C96 H84 N4 O16 -","4","1","","Barton, Benita; Caira, Mino R.; Senekal, Ulrich; Hosten, Eric Cyriel","Selectivity considerations of host compound trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylic acid when presented with pyridine and picoline mixtures: charge-assisted versus classical hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D2CE00327A","","","0.71073","MoKα","","0.0355","0.0317","","","0.081","0.0838","","","","","","1.038","","","","has coordinates","275707","2022-05-31","22:36:53",""
"7245009","8.8567","0.0005","12.359","0.0007","18.2675","0.001","90","","100.8","0.002","90","","1964.14","0.19","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylic acid","","","- C24 H21 N O4 -","- C24 H21 N O4 -","- C96 H84 N4 O16 -","4","1","","Barton, Benita; Caira, Mino R.; Senekal, Ulrich; Hosten, Eric Cyriel","Selectivity considerations of host compound trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylic acid when presented with pyridine and picoline mixtures: charge-assisted versus classical hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D2CE00327A","","","0.71073","MoKα","","0.0476","0.0397","","","0.1041","0.111","","","","","","1.03","","","","has coordinates","275707","2022-05-31","22:36:53",""
"7245010","17.3469","0.001","11.0693","0.0007","25.0564","0.0014","90","","90","","90","","4811.3","0.5","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylic acid","","- C28 H24 N2 O4 -","- C28 H24 N2 O4 -","- C224 H192 N16 O32 -","8","1","","Barton, Benita; Caira, Mino R.; Senekal, Ulrich; Hosten, Eric Cyriel","Selectivity considerations of host compound trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylic acid when presented with pyridine and picoline mixtures: charge-assisted versus classical hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D2CE00327A","","","0.71073","MoKα","","0.069","0.0503","","","0.1223","0.1375","","","","","","1.023","","","","has coordinates","275707","2022-05-31","22:36:53",""
"7245011","5.765","0.003","7.688","0.004","18.142","0.009","80.692","0.008","84.686","0.007","71.676","0.007","752.5","0.7","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H40 N2 S4 -","- C34 H40 N2 S4 -","- C34 H40 N2 S4 -","1","0.5","","Karunathilaka, Dilan; Rajapakse, R. M. G.; Steen, April; Sexton, Thomas More; Sparks, Nicholas; Mosely, Jacquelyn; Rheingold, Arnold L.; Hammer, Nathan I.; Tschumper, Gregory S.; Watkins, Davita","Correlation of Solid-State Order to Optoelectronic Behavior in Heterocyclic Oligomers","CrystEngComm","2022","","","","","10.1039/D2CE00560C","","","0.71073","MoKα","","0.1232","0.113","","","0.3653","0.3859","","","","","","1.603","","","","has coordinates","275708","2022-05-31","22:37:51",""
"7245012","16.4937","0.0015","4.7436","0.0004","18.9806","0.0018","90","","106.926","0.005","90","","1420.7","0.2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 N2 O2 S2 -","- C32 H36 N2 O2 S2 -","- C64 H72 N4 O4 S4 -","2","0.5","","Karunathilaka, Dilan; Rajapakse, R. M. G.; Steen, April; Sexton, Thomas More; Sparks, Nicholas; Mosely, Jacquelyn; Rheingold, Arnold L.; Hammer, Nathan I.; Tschumper, Gregory S.; Watkins, Davita","Correlation of Solid-State Order to Optoelectronic Behavior in Heterocyclic Oligomers","CrystEngComm","2022","","","","","10.1039/D2CE00560C","","x-ray","1.54178","CuKα","","0.078","0.0516","","","0.1224","0.1354","","","","","","0.969","","","","has coordinates","275708","2022-05-31","22:37:51",""
"7245013","5.1067","0.0009","7.168","0.0008","20.766","0.003","80.476","0.004","86.864","0.006","86.423","0.005","747.44","0.19","100","","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H40 N2 O2 S2 -","- C34 H40 N2 O2 S2 -","- C34 H40 N2 O2 S2 -","1","0.5","","Karunathilaka, Dilan; Rajapakse, R. M. G.; Steen, April; Sexton, Thomas More; Sparks, Nicholas; Mosely, Jacquelyn; Rheingold, Arnold L.; Hammer, Nathan I.; Tschumper, Gregory S.; Watkins, Davita","Correlation of Solid-State Order to Optoelectronic Behavior in Heterocyclic Oligomers","CrystEngComm","2022","","","","","10.1039/D2CE00560C","","x-ray","0.71073","MoKα","","0.0479","0.0394","","","0.0876","0.092","","","","","","1.064","","","","has coordinates","275708","2022-05-31","22:37:51",""
"7245014","26.416","0.003","5.6442","0.0005","29.724","0.003","90","","103.328","0.003","90","","4312.4","0.8","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 N2 S4 -","- C32 H36 N2 S4 -","- C192 H216 N12 S24 -","6","1.5","","Karunathilaka, Dilan; Rajapakse, R. M. G.; Steen, April; Sexton, Thomas More; Sparks, Nicholas; Mosely, Jacquelyn; Rheingold, Arnold L.; Hammer, Nathan I.; Tschumper, Gregory S.; Watkins, Davita","Correlation of Solid-State Order to Optoelectronic Behavior in Heterocyclic Oligomers","CrystEngComm","2022","","","","","10.1039/D2CE00560C","","x-ray","0.71073","MoKα","","0.0754","0.053","","","0.1018","0.1096","","","","","","1.084","","","","has coordinates","275708","2022-05-31","22:37:51",""
"7245015","10.269","0.007","10.62","0.006","18.045","0.012","100.31","0.012","95.681","0.012","108.82","0.011","1807","2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","JLNU-104","","- C83 H76 Mn3 N3 O25.5 -","- C76 H52 Mn3 O24 -","- C76 H52 Mn3 O24 -","1","0.5","","Zhou, Shi; Yan, Guosong; Gao, Baihui; Jiang, Wei; Liu, Bo; Zhou, Tianyu; Liu, Chunbo; Che, Guangbo","A layered Mn-based coordination polymer as an efficient heterogeneous catalyst for CO2 cycloaddition under mild condition","CrystEngComm","2022","","","","","10.1039/D2CE00579D","","","0.71073","MoKα","","0.1877","0.1264","","","0.3214","0.3393","","","","","","1.237","","","","has coordinates","275709","2022-05-31","22:38:33",""
"7245016","17.4522","0.0005","31.6114","0.0007","18.0196","0.0003","90","","107.351","0.002","90","","9488.8","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H31 N3 O22.5 Sm2 -","- C34 H23 N3 O18.5 Sm2 -","- C272 H184 N24 O148 Sm16 -","8","1","","Feng, Xun; Shang, Yapei; Zhang, Ka; Hong, Manzhou; Li, Junfeng; Xu, Hongdi; Wang, Liya; Li, Zhongjun","In situ ligand-induced Ln-MOFs based on a chromophore moiety: white light emission and turn-on detection of trace antibiotics","CrystEngComm","2022","","","","","10.1039/D2CE00613H","","x-ray","0.71073","MoKα","","0.0681","0.0564","","","0.1809","0.1913","","","","","","1.062","","","","has coordinates,has disorder","275725","2022-06-01","22:42:55",""
"7245017","17.5877","0.0012","31.5073","0.0011","17.9802","0.0007","90","","107.005","0.005","90","","9528","0.9","293.7","0.3","293.7","0.3","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H22 Gd2 N3 O18 -","- C34 H23 Gd2 N3 O18 -","- C272 H184 Gd16 N24 O144 -","8","1","","Feng, Xun; Shang, Yapei; Zhang, Ka; Hong, Manzhou; Li, Junfeng; Xu, Hongdi; Wang, Liya; Li, Zhongjun","In situ ligand-induced Ln-MOFs based on a chromophore moiety: white light emission and turn-on detection of trace antibiotics","CrystEngComm","2022","","","","","10.1039/D2CE00613H","","x-ray","0.71073","MoKα","","0.1224","0.0703","","","0.1224","0.1423","","","","","","0.965","","","","has coordinates","275725","2022-06-01","22:42:55",""
"7245018","17.5969","0.0012","31.6237","0.0015","18.0245","0.0015","90","","107.037","0.008","90","","9590.1","1.2","291.07","0.1","291.07","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H25 Eu2 N3 O19 -","- C34 H25 Eu2 N3 O19 -","- C272 H200 Eu16 N24 O152 -","8","1","","Feng, Xun; Shang, Yapei; Zhang, Ka; Hong, Manzhou; Li, Junfeng; Xu, Hongdi; Wang, Liya; Li, Zhongjun","In situ ligand-induced Ln-MOFs based on a chromophore moiety: white light emission and turn-on detection of trace antibiotics","CrystEngComm","2022","","","","","10.1039/D2CE00613H","","x-ray","0.71073","MoKα","","0.1698","0.0938","","","0.223","0.242","","","","","","1.33","","","","has coordinates","275725","2022-06-01","22:42:55",""
"7245019","17.6182","0.0012","31.3835","0.0012","17.868","0.0013","90","","106.722","0.008","90","","9461.8","1.1","292","2","292","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H18 N3 O28 Tb2 -","- C34 H18 N3 O28 Tb2 -","- C272 H144 N24 O224 Tb16 -","8","1","","Feng, Xun; Shang, Yapei; Zhang, Ka; Hong, Manzhou; Li, Junfeng; Xu, Hongdi; Wang, Liya; Li, Zhongjun","In situ ligand-induced Ln-MOFs based on a chromophore moiety: white light emission and turn-on detection of trace antibiotics","CrystEngComm","2022","","","","","10.1039/D2CE00613H","","","0.71073","MoKα","","0.1537","0.0852","","","0.1298","0.1493","","","","","","1.156","","","","has coordinates","275725","2022-06-01","22:42:56",""
"7245020","7.574","0.002","21.682","0.004","5.165","0.001","90","","94.22","0.02","90","","845.9","0.3","80","2","80","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H20 N4 O8 P2 -","- C10 H20 N4 O8 P2 -","- C20 H40 N8 O16 P4 -","2","0.5","","Budzikur, Daria; Kinzhybalo, Vasyl; Ślepokura, Katarzyna","Crystal engineering and structural diversity of 2-aminopyridinium hypodiphosphates obtained by crystallization and dehydration","CrystEngComm","2022","","","","","10.1039/D2CE00261B","","","1.5418","CuKα","","0.0647","0.0467","","","0.1174","0.1257","","","","","","1.074","","","","has coordinates","275726","2022-06-01","22:44:49",""
"7245021","10.06","0.002","11.679","0.003","11.18","0.003","90","","100.07","0.02","90","","1293.3","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 N8 O6 P2 -","- C20 H28 N8 O6 P2 -","- C40 H56 N16 O12 P4 -","2","0.5","","Budzikur, Daria; Kinzhybalo, Vasyl; Ślepokura, Katarzyna","Crystal engineering and structural diversity of 2-aminopyridinium hypodiphosphates obtained by crystallization and dehydration","CrystEngComm","2022","","","","","10.1039/D2CE00261B","","","1.5418","CuKα","","0.0602","0.056","","","0.1498","0.1557","","","","","","1.068","","","","has coordinates","275726","2022-06-01","22:44:49",""
"7245022","15.716","0.002","17.045","0.002","13.827","0.002","90","","100.46","0.01","90","","3642.4","0.8","80","2","80","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H40 N8 O20 P6 -","- C20 H40 N8 O20 P6 -","- C80 H160 N32 O80 P24 -","4","1","","Budzikur, Daria; Kinzhybalo, Vasyl; Ślepokura, Katarzyna","Crystal engineering and structural diversity of 2-aminopyridinium hypodiphosphates obtained by crystallization and dehydration","CrystEngComm","2022","","","","","10.1039/D2CE00261B","","","1.5418","CuKα","","0.0347","0.0312","","","0.0778","0.0797","","","","","","1.049","","","","has coordinates","275726","2022-06-01","22:44:49",""
"7245023","7.528","0.002","8.333","0.002","9.306","0.003","107.37","0.03","105.74","0.02","102.95","0.02","505.8","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H20 N4 O12 P4 -","- C10 H20 N4 O12 P4 -","- C10 H20 N4 O12 P4 -","1","0.5","","Budzikur, Daria; Kinzhybalo, Vasyl; Ślepokura, Katarzyna","Crystal engineering and structural diversity of 2-aminopyridinium hypodiphosphates obtained by crystallization and dehydration","CrystEngComm","2022","","","","","10.1039/D2CE00261B","","","1.5418","CuKα","","0.0371","0.037","","","0.099","0.0991","","","","","","1.103","","","","has coordinates","275726","2022-06-01","22:44:49",""
"7245024","14.254","0.002","14.405","0.002","11.118","0.002","90","","91.81","0.02","90","","2281.7","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 N4 O6 P2 -","- C10 H16 N4 O6 P2 -","- C60 H96 N24 O36 P12 -","6","1.5","","Budzikur, Daria; Kinzhybalo, Vasyl; Ślepokura, Katarzyna","Crystal engineering and structural diversity of 2-aminopyridinium hypodiphosphates obtained by crystallization and dehydration","CrystEngComm","2022","","","","","10.1039/D2CE00261B","","","1.5418","CuKα","","0.158","0.0844","","","0.2148","0.2437","","","","","","1.066","","","","has coordinates","275726","2022-06-01","22:44:49",""
"7245025","13.737","0.005","10.658","0.003","24.822","0.009","90","","97.5","0.03","90","","3603","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H36.8 N8 O18.4 P6 -","- C20 H36.734 N8 O18.367 P6 -","- C80 H146.936 N32 O73.468 P24 -","4","1","","Budzikur, Daria; Kinzhybalo, Vasyl; Ślepokura, Katarzyna","Crystal engineering and structural diversity of 2-aminopyridinium hypodiphosphates obtained by crystallization and dehydration","CrystEngComm","2022","","","","","10.1039/D2CE00261B","","","1.5418","CuKα","","0.1042","0.0949","","","0.2841","0.2951","","","","","","1.067","","","","has coordinates,has disorder","275726","2022-06-01","22:44:50",""
"7245026","13.706","0.005","10.656","0.004","24.802","0.007","90","","96.61","0.03","90","","3598","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H36.2 N8 O18.1 P6 -","- C20 H36.212 N8 O18.106 P6 -","- C80 H144.848 N32 O72.424 P24 -","4","1","","Budzikur, Daria; Kinzhybalo, Vasyl; Ślepokura, Katarzyna","Crystal engineering and structural diversity of 2-aminopyridinium hypodiphosphates obtained by crystallization and dehydration","CrystEngComm","2022","","","","","10.1039/D2CE00261B","","","1.5418","CuKα","","0.1628","0.0802","","","0.2169","0.2674","","","","","","1.037","","","","has coordinates,has disorder","275726","2022-06-01","22:44:50",""
"7245030","16.8282","0.0006","10.4619","0.0004","9.5748","0.0004","90","","100.788","0.004","90","","1655.9","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 N2 O3 -","- C18 H20 N2 O3 -","- C72 H80 N8 O12 -","4","1","","Chowdhury, Srayoshi Roy; Haldar, Debasish","A γ-turn mimetic for selective sensing of Cu(ii) and a combinatorial multiple logic gate","CrystEngComm","2022","","","","","10.1039/D2CE00462C","","","0.71073","MoKα","","0.0528","0.0443","","","0.1071","0.1128","","","","","","1.096","","","","has coordinates","275842","2022-06-06","22:39:02",""
"7245031","8.8287","0.0002","9.7039","0.0003","16.4007","0.0004","90","","93.677","0.003","90","","1402.2","0.06","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H48 Br2 N2 O2 -","- C28 H48 Br2 N2 O2 -","- C56 H96 Br4 N4 O4 -","2","0.5","","Yeoh, Wei-Jiun; Sobolev, Alexandre N.; Paterson, Martin J.; Dalgarno, Scott J.; Ling, Irene","The effect of substituents and their positions on a series of disubstituted naphthalene bromide salts towards intermolecular interactions and crystal packing","CrystEngComm","2022","","","","","10.1039/D2CE00538G","","","0.71073","MoKα","","0.0443","0.0305","","","0.0615","0.0676","","","","","","1.001","","","","has coordinates","275843","2022-06-06","22:39:48",""
"7245032","8.8271","0.0011","13.4405","0.0014","18.04","0.002","90","","90","","90","","2140.3","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H26 Br2 N4 O2 -","- C20 H26 Br2 N4 O2 -","- C80 H104 Br8 N16 O8 -","4","0.5","","Yeoh, Wei-Jiun; Sobolev, Alexandre N.; Paterson, Martin J.; Dalgarno, Scott J.; Ling, Irene","The effect of substituents and their positions on a series of disubstituted naphthalene bromide salts towards intermolecular interactions and crystal packing","CrystEngComm","2022","","","","","10.1039/D2CE00538G","","","1.54178","CuKα","","0.1382","0.1041","","","0.2452","0.2709","","","","","","1.015","","","","has coordinates","275843","2022-06-06","22:39:48",""
"7245033","10.9774","0.0002","9.2537","0.0001","20.6183","0.0003","90","","99.24","0.001","90","","2067.26","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 Br2 N4 O -","- C20 H24 Br2 N4 O -","- C80 H96 Br8 N16 O4 -","4","1","","Yeoh, Wei-Jiun; Sobolev, Alexandre N.; Paterson, Martin J.; Dalgarno, Scott J.; Ling, Irene","The effect of substituents and their positions on a series of disubstituted naphthalene bromide salts towards intermolecular interactions and crystal packing","CrystEngComm","2022","","","","","10.1039/D2CE00538G","","","0.71073","MoKα","","0.042","0.0293","","","0.0629","0.0679","","","","","","1.001","","","","has coordinates","275843","2022-06-06","22:39:48",""
"7245038","5.88","0.02","7.98","0.02","10.6","0.02","109.01","0.12","98.48","0.12","93.59","0.21","462","2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Phenoxazine","","- C12 H10 N O -","- C12 H10 N O -","- C24 H20 N2 O2 -","2","1","","Kaltenegger, Martin; Hofer, Sebastian; Resel, Roland; Werzer, Oliver; Riegler, Hans; Simbrunner, Josef; Winkler, Christian; Geerts, Yves; Liu, Jie","Engineering of a kinetically driven phase of phenoxazine by surface crystallisation","CrystEngComm","2022","","","","","10.1039/D2CE00479H","","","1.4","synchrotron_radiation","","","","","","","","","","","","","","","","","has coordinates","275885","2022-06-07","22:36:38",""
"7245039","12.9072","0.0007","6.2378","0.0003","19.2643","0.001","90","","98.396","0.002","90","","1534.39","0.14","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H10 Hg2 O8 -","- C16 H10 Hg2 O8 -","- C64 H40 Hg8 O32 -","4","1","","Sánchez-Férez, Francisco; Solans-Monfort, Xavier; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","A Hg(i) corrugated sheet assembled by auxiliary dioxole groups and Hg⋯π interactions","CrystEngComm","2022","","","","","10.1039/D2CE00347C","","","0.71073","MoKα","","0.0197","0.0181","","","0.0395","0.0401","","","","","","1.146","","","","has coordinates","275886","2022-06-07","22:37:42",""
"7245040","8.8968","0.0003","16.8278","0.0007","15.914","0.0007","90","","96.543","0.002","90","","2367.02","0.16","298","2","297.65","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H44 Ni O4 P2 S4 -","- C54 H44 Ni O4 P2 S4 -","- C108 H88 Ni2 O8 P4 S8 -","2","0.5","","Julve, Miguel; El Alouani Dahmouni, Nadia; Switlicka, Anna; Machura, B.; Moliner, Fernando Nicolás; Rabelo, Renato; Ruiz-Garcia, Rafael; Stiriba, Salah-Eddine; Cano, Joan","Bulky countercation effects on the crystal packing of anionic dithiooxalato-containing Ni(II), Pd(II) and Pt(II) complexes: spectroscopic-redox correlations","CrystEngComm","2022","","","","","10.1039/D2CE00489E","","","0.71073","MoKα","","0.0497","0.0378","","","0.0869","0.0934","","","","","","1.046","","","","has coordinates","275945","2022-06-09","22:37:37",""
"7245041","8.8748","0.0003","16.807","0.0005","15.6789","0.0005","90","","96.144","0.001","90","","2325.21","0.13","120","2","120.01","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H44 O4 P2 Pt S4 -","- C54 H44 O4 P2 Pt S4 -","- C108 H88 O8 P4 Pt2 S8 -","2","0.5","","Julve, Miguel; El Alouani Dahmouni, Nadia; Switlicka, Anna; Machura, B.; Moliner, Fernando Nicolás; Rabelo, Renato; Ruiz-Garcia, Rafael; Stiriba, Salah-Eddine; Cano, Joan","Bulky countercation effects on the crystal packing of anionic dithiooxalato-containing Ni(II), Pd(II) and Pt(II) complexes: spectroscopic-redox correlations","CrystEngComm","2022","","","","","10.1039/D2CE00489E","","","0.71073","MoKα","","0.0394","0.0261","","","0.0435","0.0466","","","","","","1.037","","","","has coordinates","275945","2022-06-09","22:37:38",""
"7245042","8.887","0.004","16.831","0.007","15.724","0.009","90","","96.01","0.02","90","","2339","2","150","2","149.99","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H44 O4 P2 Pd S4 -","- C54 H44 O4 P2 Pd S4 -","- C108 H88 O8 P4 Pd2 S8 -","2","0.5","","Julve, Miguel; El Alouani Dahmouni, Nadia; Switlicka, Anna; Machura, B.; Moliner, Fernando Nicolás; Rabelo, Renato; Ruiz-Garcia, Rafael; Stiriba, Salah-Eddine; Cano, Joan","Bulky countercation effects on the crystal packing of anionic dithiooxalato-containing Ni(II), Pd(II) and Pt(II) complexes: spectroscopic-redox correlations","CrystEngComm","2022","","","","","10.1039/D2CE00489E","","","0.71073","MoKα","","0.0409","0.03","","","0.0609","0.0694","","","","","","1.114","","","","has coordinates","275945","2022-06-09","22:37:38",""
"7245043","8.7497","0.0005","10.1139","0.0006","16.8551","0.001","81.465","0.002","75.796","0.002","81.299","0.002","1419.65","0.14","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C57 H50 Cl6 O4 P2 Pd S4 -","- C57 H50 Cl6 O4 P2 Pd S4 -","- C57 H50 Cl6 O4 P2 Pd S4 -","1","0.5","","Julve, Miguel; El Alouani Dahmouni, Nadia; Switlicka, Anna; Machura, B.; Moliner, Fernando Nicolás; Rabelo, Renato; Ruiz-Garcia, Rafael; Stiriba, Salah-Eddine; Cano, Joan","Bulky countercation effects on the crystal packing of anionic dithiooxalato-containing Ni(II), Pd(II) and Pt(II) complexes: spectroscopic-redox correlations","CrystEngComm","2022","","","","","10.1039/D2CE00489E","","","0.71073","MoKα","","0.0322","0.0276","","","0.0638","0.0675","","","","","","1.056","","","","has coordinates,has disorder","275945","2022-06-09","22:37:38",""
"7245044","11.0025","0.0009","13.2382","0.0011","18.4636","0.0015","69.239","0.003","77.795","0.003","73.53","0.003","2393","0.3","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H40 As2 Ni O4 S4 -","- C52 H40 As2 Ni O4 S4 -","- C104 H80 As4 Ni2 O8 S8 -","2","1","","Julve, Miguel; El Alouani Dahmouni, Nadia; Switlicka, Anna; Machura, B.; Moliner, Fernando Nicolás; Rabelo, Renato; Ruiz-Garcia, Rafael; Stiriba, Salah-Eddine; Cano, Joan","Bulky countercation effects on the crystal packing of anionic dithiooxalato-containing Ni(II), Pd(II) and Pt(II) complexes: spectroscopic-redox correlations","CrystEngComm","2022","","","","","10.1039/D2CE00489E","","","0.71073","MoKα","","0.0349","0.0261","","","0.0673","0.0712","","","","","","1.028","","","","has coordinates","275945","2022-06-09","22:37:38",""
"7245045","11.3511","0.0007","14.5086","0.001","7.8221","0.0004","90","","90","","90","","1288.21","0.14","120","2","120.01","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C14 H10 O2 S2 -","- C14 H10 O2 S2 -","- C56 H40 O8 S8 -","4","1","","Julve, Miguel; El Alouani Dahmouni, Nadia; Switlicka, Anna; Machura, B.; Moliner, Fernando Nicolás; Rabelo, Renato; Ruiz-Garcia, Rafael; Stiriba, Salah-Eddine; Cano, Joan","Bulky countercation effects on the crystal packing of anionic dithiooxalato-containing Ni(II), Pd(II) and Pt(II) complexes: spectroscopic-redox correlations","CrystEngComm","2022","","","","","10.1039/D2CE00489E","","","0.71073","MoKα","","0.0332","0.0263","","","0.0544","0.06","","","","","","1.112","","","","has coordinates","275945","2022-06-09","22:37:39",""
"7245046","10.939","0.003","13.206","0.003","18.371","0.005","110.997","0.01","89.98","0.011","106.566","0.01","2359.4","1.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H40 As2 O4 Pt S4 -","- C52 H40 As2 O4 Pt S4 -","- C104 H80 As4 O8 Pt2 S8 -","2","1","","Julve, Miguel; El Alouani Dahmouni, Nadia; Switlicka, Anna; Machura, B.; Moliner, Fernando Nicolás; Rabelo, Renato; Ruiz-Garcia, Rafael; Stiriba, Salah-Eddine; Cano, Joan","Bulky countercation effects on the crystal packing of anionic dithiooxalato-containing Ni(II), Pd(II) and Pt(II) complexes: spectroscopic-redox correlations","CrystEngComm","2022","","","","","10.1039/D2CE00489E","","","0.71073","MoKα","","0.0158","0.0137","","","0.0399","0.0409","","","","","","0.921","","","","has coordinates","275945","2022-06-09","22:37:39",""
"7245047","10.4267","0.0005","52.731","0.002","13.8477","0.0006","90","","100.58","0.002","90","","7484.2","0.6","120","2","119.99","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C55 H46 As2 Ni O5 S4 -","- C55 H46 As2 Ni O5 S4 -","- C330 H276 As12 Ni6 O30 S24 -","6","3","","Julve, Miguel; El Alouani Dahmouni, Nadia; Switlicka, Anna; Machura, B.; Moliner, Fernando Nicolás; Rabelo, Renato; Ruiz-Garcia, Rafael; Stiriba, Salah-Eddine; Cano, Joan","Bulky countercation effects on the crystal packing of anionic dithiooxalato-containing Ni(II), Pd(II) and Pt(II) complexes: spectroscopic-redox correlations","CrystEngComm","2022","","","","","10.1039/D2CE00489E","","","0.71073","MoKα","","0.0322","0.0305","","","0.0688","0.0694","","","","","","1.076","","","","has coordinates","275945","2022-06-09","22:37:39",""
"7245058","13.3653","0.0002","14.7692","0.0002","20.6731","0.0003","90","","90","","90","","4080.76","0.1","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H32 Cd2 N6 O10 -","- C34 H32 Cd2 N6 O10 -","- C136 H128 Cd8 N24 O40 -","4","1","","Das, Aniruddha; Ghosh, Subhrajyoti; Bourda, Laurens; SK, Mostakim; Banerjee, Kaustuv; Van Hecke, Kristof; Biswas, Shyam","A Cd(ii)-organic framework as a highly sensitive and rapid fluorometric sensor for ascorbic acid in aqueous medium","CrystEngComm","2022","","","","","10.1039/D2CE00654E","","x-ray","0.71073","MoKα","","0.041","0.0342","","","0.0816","0.0852","","","","","","1.041","","","","has coordinates","276006","2022-06-13","22:35:04",""
"7245059","25.0011","0.0007","15.7369","0.0005","8.9768","0.0003","90","","93.853","0.001","90","","3523.85","0.19","170","","170","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H8.5 Fe N11.5 -","- C13 H8.5 Fe N11.5 -","- C104 H68 Fe8 N92 -","8","1","","Merabet, Layachi; Vologzhanina, Anna V.; Setifi, Zouaoui; Kaboub, Lakhmissi; Setifi, Fatima","Topological motifs in dicyanamides of transition metals","CrystEngComm","2022","","","","","10.1039/D2CE00485B","","","0.71073","MoKα","","0.0882","0.0529","","","0.1475","0.1517","","","","","","1.011","","","","has coordinates,has disorder","276007","2022-06-13","22:36:08",""
"7245060","9.0881","0.0002","8.2891","0.0002","13.1987","0.0003","90","","103.114","0.001","90","","968.36","0.04","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 N10 Ni -","- C20 H16 N10 Ni -","- C40 H32 N20 Ni2 -","2","0.5","","Merabet, Layachi; Vologzhanina, Anna V.; Setifi, Zouaoui; Kaboub, Lakhmissi; Setifi, Fatima","Topological motifs in dicyanamides of transition metals","CrystEngComm","2022","","","","","10.1039/D2CE00485B","","","0.71073","MoKα","","0.0553","0.0342","","","0.0763","0.0898","","","","","","1.018","","","","has coordinates","276007","2022-06-13","22:36:08",""
"7245061","9.1691","0.0004","8.2275","0.0004","13.2721","0.0006","90","","102.521","0.002","90","","977.42","0.08","170","","170","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 Fe N10 -","- C20 H16 Fe N10 -","- C40 H32 Fe2 N20 -","2","0.5","","Merabet, Layachi; Vologzhanina, Anna V.; Setifi, Zouaoui; Kaboub, Lakhmissi; Setifi, Fatima","Topological motifs in dicyanamides of transition metals","CrystEngComm","2022","","","","","10.1039/D2CE00485B","","","0.71073","MoKα","","0.074","0.0398","","","0.0785","0.1052","","","","","","0.998","","","","has coordinates","276007","2022-06-13","22:36:08",""
"7245062","7.5557","0.0006","11.9271","0.001","14.1205","0.0011","80.696","0.003","83.397","0.003","72.522","0.003","1194.8","0.17","170","2","170","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H17 Cu N8 O2.5 -","- C27 H17 Cu N8 O2.5 -","- C54 H34 Cu2 N16 O5 -","2","1","","Merabet, Layachi; Vologzhanina, Anna V.; Setifi, Zouaoui; Kaboub, Lakhmissi; Setifi, Fatima","Topological motifs in dicyanamides of transition metals","CrystEngComm","2022","","","","","10.1039/D2CE00485B","","","0.71073","MoKα","","0.0736","0.0535","","","0.1091","0.1172","","","","","","1.097","","","","has coordinates","276007","2022-06-13","22:36:08",""
"7245063","12.2316","0.0006","13.1085","0.0007","18.7874","0.001","96.162","0.002","103.516","0.002","99.484","0.002","2855.3","0.3","170","","170","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H16 Cu N10 -","- C20 H16 Cu N10 -","- C120 H96 Cu6 N60 -","6","3","","Merabet, Layachi; Vologzhanina, Anna V.; Setifi, Zouaoui; Kaboub, Lakhmissi; Setifi, Fatima","Topological motifs in dicyanamides of transition metals","CrystEngComm","2022","","","","","10.1039/D2CE00485B","","","0.71073","MoKα","","0.0999","0.0541","","","0.1258","0.1842","","","","","","0.993","","","","has coordinates","276007","2022-06-13","22:36:09",""
"7245064","14.8274","0.0004","8.1697","0.0001","15.5656","0.0004","90","","114.139","0.002","90","","1720.67","0.07","288","2","288","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","7-Hydroxy-3-(4-methoxy-3-(3-methylbut-2-en-1-yl)phenyl)- 4H-chromen-4-one","","- C21 H20 O4 -","- C21 H20 O4 -","- C84 H80 O16 -","4","1","","Sperlich, Eric; Kelling, Alexandra; Kwesiga, George; Schmidt, Bernd","Intermolecular interactions in the solid-state structures of isoflavones: the relationship between supramolecular structure, torsion angle, and macroscopic properties","CrystEngComm","2022","","","","","10.1039/D2CE00169A","","","0.71073","MoKα","","0.043","0.0397","","","0.112","0.1168","","","","","","1.04","","","","has coordinates","276008","2022-06-13","22:37:10",""
"7245065","17.9139","0.0002","14.6001","0.0004","6.6911","0.0007","90","","90","","90","","1750.02","0.19","210","2","210","","","","","","","","","3","P n a 21","P 2c -2n","33","","3-(3-allyl-4-methoxyphenyl)-7-(methoxymethoxy)-4H-chromen-4-one","","- C21 H20 O5 -","- C21 H20 O5 -","- C84 H80 O20 -","4","1","","Sperlich, Eric; Kelling, Alexandra; Kwesiga, George; Schmidt, Bernd","Intermolecular interactions in the solid-state structures of isoflavones: the relationship between supramolecular structure, torsion angle, and macroscopic properties","CrystEngComm","2022","","","","","10.1039/D2CE00169A","","","0.71073","MoKα","","0.0584","0.0427","","","0.1062","0.1137","","","","","","1.039","","","","has coordinates","276008","2022-06-13","22:37:11",""
"7245066","8.0184","0.0016","8.4831","0.0017","11.867","0.002","104.02","0.03","94.03","0.03","101.24","0.03","762.3","0.3","210","2","210","","","","","","","","","3","P -1","-P 1","2","","3-(3-allyl-4-methoxyphenyl)-7-hydroxy-4H-chromen-4-one","","- C19 H16 O4 -","- C19 H16 O4 -","- C38 H32 O8 -","2","1","","Sperlich, Eric; Kelling, Alexandra; Kwesiga, George; Schmidt, Bernd","Intermolecular interactions in the solid-state structures of isoflavones: the relationship between supramolecular structure, torsion angle, and macroscopic properties","CrystEngComm","2022","","","","","10.1039/D2CE00169A","","","0.71073","MoKα","","0.0638","0.0465","","","0.1322","0.1422","","","","","","1.082","","","","has coordinates","276008","2022-06-13","22:37:11",""
"7245072","7.421","0.003","9.209","0.004","9.781","0.004","84.786","0.006","68.478","0.006","73.697","0.005","596.8","0.4","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 Cd2 N4 O8 -","- C22 H20 Cd2 N4 O8 -","- C22 H20 Cd2 N4 O8 -","1","0.5","","Zhou, Ling-Peng; Yan, Jing-Wen; Wang, Jun; Chi, Xiang; Afzal, Mohd; Alarifi, Abdullah; Srivatava, Devyani; Kumar, Abhinav","Efficient photodegradation of dyes by a new 3D Cd(ii) MOF with a rare fsh topology","CrystEngComm","2022","","","","","10.1039/D2CE00590E","","","0.71073","MoKα","","0.0695","0.0603","","","0.1697","0.1747","","","","","","1.127","","","","has coordinates","276030","2022-06-14","22:34:45",""
"7245073","48.277","0.009","48.277","0.009","13.116","0.003","90","","90","","120","","26474","9","296.15","","296.15","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C29 H12 Co2 N O12 -","- C29 H12 Co2 N O12 -","- C522 H216 Co36 N18 O216 -","18","0.5","","Ding, Tao; Li, Zi-Yu; Gao, Dan; Zheng, Li-Na; Shi, Lan-Ting; Gong, Xue-Song; Gao, Ziwei","Construction of two novel non-penetrating Co-MOFs derived from designed 2,4,6-tri(2,4-dicarboxyphenyl) pyridine: synthesis, structure and gas adsorption properties","CrystEngComm","2022","","","","","10.1039/D2CE00553K","","","0.71073","MoKα","","0.1143","0.0845","","","0.2387","0.2695","","","","","","1.038","","","","has coordinates,has disorder","276031","2022-06-14","22:35:26",""
"7245074","31.747","0.003","13.0267","0.0011","26.875","0.002","90","","113.67","0.001","90","","10179.4","1.5","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H40 Co7 N2 O34 -","- C58 H40 Co7 N2 O34 -","- C232 H160 Co28 N8 O136 -","4","0.5","","Ding, Tao; Li, Zi-Yu; Gao, Dan; Zheng, Li-Na; Shi, Lan-Ting; Gong, Xue-Song; Gao, Ziwei","Construction of two novel non-penetrating Co-MOFs derived from designed 2,4,6-tri(2,4-dicarboxyphenyl) pyridine: synthesis, structure and gas adsorption properties","CrystEngComm","2022","","","","","10.1039/D2CE00553K","","","0.71073","MoKα","","0.0585","0.0476","","","0.1469","0.1558","","","","","","1.051","","","","has coordinates,has disorder","276031","2022-06-14","22:35:27",""
"7245082","5.9198","0.0016","7.67","0.002","22.977","0.006","90","","96.417","0.006","90","","1036.7","0.5","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 O S2 -","- C12 H8 O S2 -","- C48 H32 O4 S8 -","4","1","","Nishimoto, Hiroshi; Kadoya, Tomofumi; Miyake, Rikyu; Oda, Takeshi; Nishida, Jun-ichi; Kubo, Kazuya; Tajima, Hiroyuki; Kawase, Takeshi; Yamada, Jun-ichi","An isotropic three-dimensional organic semiconductor 2-(thiopyran-4-ylidene)-1,3-benzodithiole (TP-BT): asymmetric molecular design to suppress access resistance","CrystEngComm","2022","","","","","10.1039/D2CE00644H","","","0.71075","MoKα","","0.0756","0.0705","","","0.1933","0.1985","","","","","","1.078","","","","has coordinates","276086","2022-06-17","22:38:20",""
"7245083","5.9049","0.0011","7.6579","0.0014","23.865","0.005","90","","95.872","0.003","90","","1073.5","0.4","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 S3 -","- C12 H8 S3 -","- C48 H32 S12 -","4","1","","Nishimoto, Hiroshi; Kadoya, Tomofumi; Miyake, Rikyu; Oda, Takeshi; Nishida, Jun-ichi; Kubo, Kazuya; Tajima, Hiroyuki; Kawase, Takeshi; Yamada, Jun-ichi","An isotropic three-dimensional organic semiconductor 2-(thiopyran-4-ylidene)-1,3-benzodithiole (TP-BT): asymmetric molecular design to suppress access resistance","CrystEngComm","2022","","","","","10.1039/D2CE00644H","","","0.71075","MoKα","","0.0367","0.0355","","","0.095","0.0961","","","","","","1.088","","","","has coordinates","276086","2022-06-17","22:38:21",""
"7245086","4.7948","0.0002","10.5652","0.0005","12.8318","0.0006","83.206","0.002","81.269","0.002","87.894","0.002","637.87","0.05","294","2","294","2","","","","","","","","5","P 1","P 1","1","bispentafluor amide","'2,3,4,5,6-pentafluoro-N-(perfluorophenyl)benzamide'","","- C13 H F10 N O -","- C13 H F10 N O -","- C26 H2 F20 N2 O2 -","2","2","","Pagliari, Anderson; Meyer, Alexandre R.; Solner, Vanessa; Rosa, Jéssica Maria Luis; Hoerner, Manfredo; Gauze Bonacorso, Helio; Zanatta, Nilo; Martins, Marcos A. P.","Effect of Hydrogen Bonds and π...π-interactions on the Crystallization of Phenyl-perfluorophenyl Amides: Understanding the Self-organization of a Cocrystal","CrystEngComm","2022","","","","","10.1039/D2CE00231K","","x-ray","0.71073","MoKα","","0.1015","0.0511","","","0.1218","0.1418","","","","","","1.039","","","","has coordinates","276136","2022-06-21","22:32:59",""
"7245087","9.58","0.007","5.8","0.004","20.624","0.017","90","","91.13","0.03","90","","1145.7","1.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","bis-pentafluorbenzamide N-phenylbenzamide","'2,3,4,5,6-pentafluoro-N-(perfluorophenyl)benzamide N-phenylbenzamide'","","- C26 H12 F10 N2 O2 -","- C26 H12 F10 N2 O2 -","- C52 H24 F20 N4 O4 -","2","1","","Pagliari, Anderson; Meyer, Alexandre R.; Solner, Vanessa; Rosa, Jéssica Maria Luis; Hoerner, Manfredo; Gauze Bonacorso, Helio; Zanatta, Nilo; Martins, Marcos A. P.","Effect of Hydrogen Bonds and π...π-interactions on the Crystallization of Phenyl-perfluorophenyl Amides: Understanding the Self-organization of a Cocrystal","CrystEngComm","2022","","","","","10.1039/D2CE00231K","","x-ray","0.71073","MoKα","","0.1262","0.1047","","","0.223","0.2359","","","","","","1.033","","","","has coordinates","276136","2022-06-21","22:33:00",""
"7245088","14.5746","0.0002","11.1621","0.0002","22.8957","0.0003","90","","105.211","0.001","90","","3594.25","0.1","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32.5 H29.5 N10 O7.5 S2 Zn -","- C32.5 H29.5 N10 O7.5 S2 Zn -","- C130 H118 N40 O30 S8 Zn4 -","4","1","","Araškov, Jovana B.; Višnjevac, Aleksandar; Popović, Jasminka; Blagojević, Vladimir; Fernandes, Henrique S.; Sousa, Sérgio F.; Novaković, Irena; Padrón, José M.; Holló, Berta Barta; Monge, Miguel; Rodríguez-Castillo, María; López-de-Luzuriaga, José M.; Filipović, Nenad R.; Todorović, Tamara R.","Zn(ii) complexes with thiazolyl–hydrazones: structure, intermolecular interactions, photophysical properties, computational study and anticancer activity","CrystEngComm","2022","","","","","10.1039/D2CE00443G","","x-ray","1.54184","CuKα","","0.0762","0.0687","","","0.19","0.1969","","","","","","1.125","","","","has coordinates,has disorder","276137","2022-06-21","22:34:25",""
"7245089","7.4123","0.0006","16.1476","0.0012","14.1477","0.0011","90","","103.092","0.008","90","","1649.3","0.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 Cl2 N4 S Zn -","- C15 H12 Cl2 N4 S Zn -","- C60 H48 Cl8 N16 S4 Zn4 -","4","1","","Araškov, Jovana B.; Višnjevac, Aleksandar; Popović, Jasminka; Blagojević, Vladimir; Fernandes, Henrique S.; Sousa, Sérgio F.; Novaković, Irena; Padrón, José M.; Holló, Berta Barta; Monge, Miguel; Rodríguez-Castillo, María; López-de-Luzuriaga, José M.; Filipović, Nenad R.; Todorović, Tamara R.","Zn(ii) complexes with thiazolyl–hydrazones: structure, intermolecular interactions, photophysical properties, computational study and anticancer activity","CrystEngComm","2022","","","","","10.1039/D2CE00443G","","x-ray","0.71073","MoKα","","0.0737","0.05","","","0.1189","0.1356","","","","","","1.039","","","","has coordinates","276137","2022-06-21","22:34:26",""
"7245090","14.4107","0.0003","18.5113","0.0003","14.5162","0.0003","90","","115.481","0.003","90","","3495.68","0.15","110","","110","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 Cl2 N4 O S Zn -","- C16 H14 Cl2 N4 O S Zn -","- C128 H112 Cl16 N32 O8 S8 Zn8 -","8","1","","Araškov, Jovana B.; Višnjevac, Aleksandar; Popović, Jasminka; Blagojević, Vladimir; Fernandes, Henrique S.; Sousa, Sérgio F.; Novaković, Irena; Padrón, José M.; Holló, Berta Barta; Monge, Miguel; Rodríguez-Castillo, María; López-de-Luzuriaga, José M.; Filipović, Nenad R.; Todorović, Tamara R.","Zn(ii) complexes with thiazolyl–hydrazones: structure, intermolecular interactions, photophysical properties, computational study and anticancer activity","CrystEngComm","2022","","","","","10.1039/D2CE00443G","","x-ray","1.54184","CuKα","","0.0444","0.041","","","0.1151","0.1223","","","","","","0.823","","","","has coordinates","276137","2022-06-21","22:34:26",""
"7245091","14.3265","0.0008","18.2579","0.0006","14.613","0.0008","90","","117.022","0.007","90","","3405.1","0.4","109","2","110","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 Cl2 N4 S Zn -","- C16 H14 Cl2 N4 S Zn -","- C128 H112 Cl16 N32 S8 Zn8 -","8","1","","Araškov, Jovana B.; Višnjevac, Aleksandar; Popović, Jasminka; Blagojević, Vladimir; Fernandes, Henrique S.; Sousa, Sérgio F.; Novaković, Irena; Padrón, José M.; Holló, Berta Barta; Monge, Miguel; Rodríguez-Castillo, María; López-de-Luzuriaga, José M.; Filipović, Nenad R.; Todorović, Tamara R.","Zn(ii) complexes with thiazolyl–hydrazones: structure, intermolecular interactions, photophysical properties, computational study and anticancer activity","CrystEngComm","2022","","","","","10.1039/D2CE00443G","","x-ray","1.54184","CuKα","","0.0531","0.0465","","","0.1295","0.1338","","","","","","1.025","","","","has coordinates","276137","2022-06-21","22:34:26",""
"7245092","14.4925","0.0007","11.9187","0.0004","22.3187","0.001","90","","106.83","0.005","90","","3690","0.3","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H29 N10 O10 S2 Zn -","- C33 H29 N10 O10 S2 Zn -","- C132 H116 N40 O40 S8 Zn4 -","4","1","","Araškov, Jovana B.; Višnjevac, Aleksandar; Popović, Jasminka; Blagojević, Vladimir; Fernandes, Henrique S.; Sousa, Sérgio F.; Novaković, Irena; Padrón, José M.; Holló, Berta Barta; Monge, Miguel; Rodríguez-Castillo, María; López-de-Luzuriaga, José M.; Filipović, Nenad R.; Todorović, Tamara R.","Zn(ii) complexes with thiazolyl–hydrazones: structure, intermolecular interactions, photophysical properties, computational study and anticancer activity","CrystEngComm","2022","","","","","10.1039/D2CE00443G","","x-ray","1.54184","CuKα","","0.0785","0.0666","","","0.1773","0.1872","","","","","","1.075","","","","has coordinates,has disorder","276137","2022-06-21","22:34:26",""
"7245093","10.9908","0.0005","12.5765","0.0005","14.2015","0.0006","108.799","0.004","94.313","0.003","115.023","0.004","1631.88","0.15","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H24 N10 O7 S2 Zn -","- C30 H24 N10 O7 S2 Zn -","- C60 H48 N20 O14 S4 Zn2 -","2","1","","Araškov, Jovana B.; Višnjevac, Aleksandar; Popović, Jasminka; Blagojević, Vladimir; Fernandes, Henrique S.; Sousa, Sérgio F.; Novaković, Irena; Padrón, José M.; Holló, Berta Barta; Monge, Miguel; Rodríguez-Castillo, María; López-de-Luzuriaga, José M.; Filipović, Nenad R.; Todorović, Tamara R.","Zn(ii) complexes with thiazolyl–hydrazones: structure, intermolecular interactions, photophysical properties, computational study and anticancer activity","CrystEngComm","2022","","","","","10.1039/D2CE00443G","","x-ray","1.54179","CuKα","","0.0585","0.0548","","","0.154","0.1585","","","","","","1.095","","","","has coordinates","276137","2022-06-21","22:34:26",""
"7245094","13.9085","0.0003","11.5933","0.0006","32.6997","0.0009","90","","93.957","0.002","90","","5260.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H50 N2 O12 Zn2 -","- C62 H50 N2 O12 Zn2 -","- C248 H200 N8 O48 Zn8 -","4","1","","Li, Yanli; Li, Huijun; Liu, Yicheng; Xu, Zhouqing","Reversible luminescence tuning behavior in a thermal-stimuli-responsive anthracene-based coordination polymer","CrystEngComm","2022","","","","","10.1039/D2CE00496H","","x-ray","0.71073","MoKα","","0.0649","0.0451","","","0.1003","0.1094","","","","","","1.028","","","","has coordinates","276138","2022-06-21","22:35:20",""
"7245095","13.8555","0.0003","11.553","0.0003","32.4314","0.0008","90","","93.67","0.001","90","","5180.7","0.2","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H50 N2 O12 Zn2 -","- C62 H50 N2 O12 Zn2 -","- C248 H200 N8 O48 Zn8 -","4","1","","Li, Yanli; Li, Huijun; Liu, Yicheng; Xu, Zhouqing","Reversible luminescence tuning behavior in a thermal-stimuli-responsive anthracene-based coordination polymer","CrystEngComm","2022","","","","","10.1039/D2CE00496H","","","0.71073","MoKα","","0.0681","0.0457","","","0.0929","0.1035","","","","","","1.042","","","","has coordinates","276138","2022-06-21","22:35:20",""
"7245096","12.911","0.0007","14.3489","0.0008","19.9832","0.0011","90","","90","","90","","3702.1","0.4","296.15","","296.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C24 H48 Cu2 I4 N6 O P2 -","- C24 H48 Cu2 I4 N6 O P2 -","- C96 H192 Cu8 I16 N24 O4 P8 -","4","0.5","","Yang, Zhen-Cong; Song, Kai-Yue; Zhou, Pan-Ke; Zong, Lu-Lu; Li, Hao-Hong; Chen, Zhi-Rong; Jiang, Rong","Sensitive luminescence mechanochromism and unique luminescence thermochromism tuned by bending the P–O–P skeleton in the diphosphonium/iodocuprate(i) hybrid","CrystEngComm","2022","","","","","10.1039/D2CE00408A","","","0.71073","MoKα","","0.049","0.0343","","","0.074","0.0795","","","","","","1.113","","","","has coordinates","276203","2022-06-23","22:40:19",""
"7245097","9.7863","0.0007","10.7597","0.0008","11.0969","0.0008","70.945","0.003","79.753","0.003","72.218","0.003","1047.71","0.13","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H48 Cu4 I6 N6 O P2 -","- C24 H48 Cu4 I6 N6 O P2 -","- C24 H48 Cu4 I6 N6 O P2 -","1","0.5","","Yang, Zhen-Cong; Song, Kai-Yue; Zhou, Pan-Ke; Zong, Lu-Lu; Li, Hao-Hong; Chen, Zhi-Rong; Jiang, Rong","Sensitive luminescence mechanochromism and unique luminescence thermochromism tuned by bending the P–O–P skeleton in the diphosphonium/iodocuprate(i) hybrid","CrystEngComm","2022","","","","","10.1039/D2CE00408A","","","0.71073","MoKα","","0.0416","0.0304","","","0.0714","0.075","","","","","","1.102","","","","has coordinates","276203","2022-06-23","22:40:20",""
"7245098","12.7246","0.0007","14.1746","0.0007","19.8726","0.0011","90","","90","","90","","3584.3","0.3","296.15","","296.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C24 H48 Cu2 I4 N6 O P2 -","- C24 H48 Cu2 I4 N6 O P2 -","- C96 H192 Cu8 I16 N24 O4 P8 -","4","0.5","","Yang, Zhen-Cong; Song, Kai-Yue; Zhou, Pan-Ke; Zong, Lu-Lu; Li, Hao-Hong; Chen, Zhi-Rong; Jiang, Rong","Sensitive luminescence mechanochromism and unique luminescence thermochromism tuned by bending the P–O–P skeleton in the diphosphonium/iodocuprate(i) hybrid","CrystEngComm","2022","","","","","10.1039/D2CE00408A","","","0.71073","MoKα","","0.0235","0.0192","","","0.04","0.0415","","","","","","1.039","","","","has coordinates","276203","2022-06-23","22:40:20",""
"7245099","49.9843","0.0013","28.7291","0.0006","26.9217","0.0008","90","","96.118","0.002","90","","38439.5","1.7","213","","213","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","hexakis(4-carboxyphenyl)triquinoxalinehexadehydro[12]annulene N,N-dimethylacetamide methyl benzoate solvate","","- C212 H145 N13 O41 -","- C160 H88 N12 O29 -","- C1280 H704 N96 O232 -","8","1","","Kobayashi, Mayu; Kubo, Haruka; Oketani, Ryusei; Hisaki, Ichiro","Quinoxaline-annelated hexadehydro[12]annulene: Use of a new building block to construct a hydrogen-bonded hexagonal molecular network","CrystEngComm","2022","","","","","10.1039/D2CE00676F","","","1.54187","CuKα","","0.1733","0.0857","","","0.2335","0.2855","","","","","","0.987","","","","has coordinates","276204","2022-06-23","22:41:00",""
"7245100","14.8757","0.0002","9.5734","0.0001","18.7224","0.0002","90","","101.68","0.001","90","","2611.07","0.05","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H30 N12 O7 -","- C22 H30 N12 O7 -","- C88 H120 N48 O28 -","4","1","","Wzgarda-Raj, Kinga; Rybarczyk-Pirek, Agnieszka; Wojtulewski, Sławomir; Palusiak, Marcin","Novel melamine – salicylic salt solvates and co-crystals; an analysis of the energetic parameters of the intermolecular hydrogen bonds stabilizing the crystal structure","CrystEngComm","2022","","","","","10.1039/D2CE00684G","","","1.54184","CuKα","","0.0435","0.0395","","","0.1039","0.1081","","","","","","1.065","","","","has coordinates","276297","2022-06-27","22:32:25",""
"7245101","10.6489","0.0003","12.0796","0.0003","21.1891","0.0005","95.54","0.002","98.304","0.002","115.065","0.003","2404.96","0.13","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C33 H58 N24 O17 -","- C33 H58 N24 O17 -","- C66 H116 N48 O34 -","2","1","","Wzgarda-Raj, Kinga; Rybarczyk-Pirek, Agnieszka; Wojtulewski, Sławomir; Palusiak, Marcin","Novel melamine – salicylic salt solvates and co-crystals; an analysis of the energetic parameters of the intermolecular hydrogen bonds stabilizing the crystal structure","CrystEngComm","2022","","","","","10.1039/D2CE00684G","","","1.54184","CuKα","","0.0624","0.0539","","","0.1274","0.1341","","","","","","1.038","","","","has coordinates","276297","2022-06-27","22:32:25",""
"7245102","16.2368","0.0006","21.9026","0.0009","14.2576","0.0006","90","","90.123","0.004","90","","5070.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H38 N4 O21 Zn2 -","- C52 H38 N4 O21 Zn2 -","- C208 H152 N16 O84 Zn8 -","4","1","","Gu, Wen-Jun; Gu, Jinzhong; Kirillova, Marina; Kirillov, Alexander","Zn(II) metal-organic architectures from ether-bridged tetracarboxylate linkers: assembly, structural variety and catalytic features","CrystEngComm","2022","","","","","10.1039/D2CE00722C","","","1.54184","CuKα","","0.1231","0.0575","","","0.1218","0.1604","","","","","","0.997","","","","has coordinates","276298","2022-06-27","22:33:42",""
"7245103","8.1811","0.0003","14.8958","0.0008","15.0957","0.0008","117.148","0.005","99.183","0.004","90.486","0.004","1609.04","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H26 N6 O10 Zn2 -","- C36 H26 N6 O10 Zn2 -","- C72 H52 N12 O20 Zn4 -","2","1","","Gu, Wen-Jun; Gu, Jinzhong; Kirillova, Marina; Kirillov, Alexander","Zn(II) metal-organic architectures from ether-bridged tetracarboxylate linkers: assembly, structural variety and catalytic features","CrystEngComm","2022","","","","","10.1039/D2CE00722C","","","1.54178","CuKα","","0.0449","0.0355","","","0.0884","0.0954","","","","","","1.034","","","","has coordinates","276298","2022-06-27","22:33:42",""
"7245104","11.222","0.0006","24.6834","0.0015","13.1944","0.0009","90","","108.141","0.007","90","","3473.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H24 N4 O10 Zn2 -","- C36 H24 N4 O10 Zn2 -","- C144 H96 N16 O40 Zn8 -","4","1","","Gu, Wen-Jun; Gu, Jinzhong; Kirillova, Marina; Kirillov, Alexander","Zn(II) metal-organic architectures from ether-bridged tetracarboxylate linkers: assembly, structural variety and catalytic features","CrystEngComm","2022","","","","","10.1039/D2CE00722C","","","1.54178","CuKα","","0.1598","0.0762","","","0.1755","0.2238","","","","","","1.005","","","","has coordinates","276298","2022-06-27","22:33:43",""
"7245105","13.982","0.0008","8.5001","0.0005","20.1799","0.0018","90","","92.702","0.007","90","","2395.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 N2 O9 Zn2 -","- C26 H16 N2 O9 Zn2 -","- C104 H64 N8 O36 Zn8 -","4","1","","Gu, Wen-Jun; Gu, Jinzhong; Kirillova, Marina; Kirillov, Alexander","Zn(II) metal-organic architectures from ether-bridged tetracarboxylate linkers: assembly, structural variety and catalytic features","CrystEngComm","2022","","","","","10.1039/D2CE00722C","","","1.54178","CuKα","","0.0781","0.0546","","","0.1272","0.1432","","","","","","1.064","","","","has coordinates","276298","2022-06-27","22:33:43",""
"7245106","10.8238","0.0007","12.9013","0.0007","13.2592","0.0007","63.377","0.005","85.794","0.005","78.292","0.005","1620.45","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H22 N4 O9 Zn2 -","- C36 H22 N4 O9 Zn2 -","- C72 H44 N8 O18 Zn4 -","2","1","","Gu, Wen-Jun; Gu, Jinzhong; Kirillova, Marina; Kirillov, Alexander","Zn(II) metal-organic architectures from ether-bridged tetracarboxylate linkers: assembly, structural variety and catalytic features","CrystEngComm","2022","","","","","10.1039/D2CE00722C","","","1.54178","CuKα","","0.0629","0.045","","","0.1087","0.1215","","","","","","1.022","","","","has coordinates","276298","2022-06-27","22:33:43",""
"7245107","5.9031","0.0014","14.188","0.004","20.665","0.005","70.166","0.01","89.202","0.01","83.142","0.011","1615.8","0.7","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","Bosentan / succinic acid Cocrystal","","- C31 H35 N5 O10 S -","- C31 H35 N5 O10 S -","- C62 H70 N10 O20 S2 -","2","1","","Barbas, Rafael; Portell, Anna; Hunter, Christopher A.; Prohens, Rafel; Frontera, Antonio","Combined computational/experimental investigation of new cocrystals of the drug bosentan","CrystEngComm","2022","","","","","10.1039/D2CE00581F","","","0.71073","MoKα","","0.1388","0.0712","","","0.1516","0.1829","","","","","","1.015","","","","has coordinates,has disorder","276411","2022-06-29","22:38:32",""
"7245108","18.5633","0.0003","9.31515","0.00017","21.2695","0.0004","90","","90","","90","","3677.92","0.11","296","","296","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C28 H32 I K N8 O14 -","- C28 H32 I K N8 O14 -","- C112 H128 I4 K4 N32 O56 -","4","1","","Shimizu, Yuta; Takeda, Takashi; Hoshino, Norihisa; Akutagawa, Tomoyuki","Tetranitro- and Tetraamino- dibenzo[18]crown-6-ether Derivatives: Complexes for Alkali Metal Ions, Redox Potentials, Crystal Structures, Molecular Sorption, and Proton Conducting Behaviors.","CrystEngComm","2022","","","","","10.1039/D2CE00582D","","","1.54187","CuKα","","0.0641","0.0506","","","0.1378","0.1468","","","","","","1.095","","","","has coordinates","276412","2022-06-29","22:40:38",""
"7245109","17.6971","0.0003","18.6927","0.0003","20.9582","0.0004","90","","90","","90","","6933.1","0.2","296","","296","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H29 I N7 Na O14 -","- C26 H29 I N7 Na O14 -","- C208 H232 I8 N56 Na8 O112 -","8","1","","Shimizu, Yuta; Takeda, Takashi; Hoshino, Norihisa; Akutagawa, Tomoyuki","Tetranitro- and Tetraamino- dibenzo[18]crown-6-ether Derivatives: Complexes for Alkali Metal Ions, Redox Potentials, Crystal Structures, Molecular Sorption, and Proton Conducting Behaviors.","CrystEngComm","2022","","","","","10.1039/D2CE00582D","","","1.54187","CuKα","","0.0844","0.0638","","","0.1324","0.1443","","","","","","1.039","","","","has coordinates","276412","2022-06-29","22:40:38",""
"7245110","10.6237","0.0003","11.2609","0.0004","15.1068","0.0005","88.389","0.006","82.391","0.006","74.364","0.005","1725","0.11","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H29 I N7 O14 Rb -","- C26 H29 I N7 O14 Rb -","- C52 H58 I2 N14 O28 Rb2 -","2","1","","Shimizu, Yuta; Takeda, Takashi; Hoshino, Norihisa; Akutagawa, Tomoyuki","Tetranitro- and Tetraamino- dibenzo[18]crown-6-ether Derivatives: Complexes for Alkali Metal Ions, Redox Potentials, Crystal Structures, Molecular Sorption, and Proton Conducting Behaviors.","CrystEngComm","2022","","","","","10.1039/D2CE00582D","","","1.54187","CuKα","","0.0708","0.0573","","","0.117","0.1217","","","","","","1.077","","","","has coordinates","276412","2022-06-29","22:40:39",""
"7245111","7.5672","0.0003","22.2189","0.0008","15.2555","0.0006","90","","90","","90","","2564.98","0.17","99","","99","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C22 H23 N5 O14 -","- C22 H23 N5 O14 -","- C88 H92 N20 O56 -","4","0.5","","Shimizu, Yuta; Takeda, Takashi; Hoshino, Norihisa; Akutagawa, Tomoyuki","Tetranitro- and Tetraamino- dibenzo[18]crown-6-ether Derivatives: Complexes for Alkali Metal Ions, Redox Potentials, Crystal Structures, Molecular Sorption, and Proton Conducting Behaviors.","CrystEngComm","2022","","","","","10.1039/D2CE00582D","","","1.54187","CuKα","","0.0856","0.054","","","0.1251","0.1395","","","","","","1.079","","","","has coordinates","276412","2022-06-29","22:40:39",""
"7245112","9.1532","","17.8073","","16.9471","","90","","105.2","","90","","2665.64","","296","","296","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 Cs I N4 O14 -","- C20 H20 Cs I N4 O14 -","- C80 H80 Cs4 I4 N16 O56 -","4","1","","Shimizu, Yuta; Takeda, Takashi; Hoshino, Norihisa; Akutagawa, Tomoyuki","Tetranitro- and Tetraamino- dibenzo[18]crown-6-ether Derivatives: Complexes for Alkali Metal Ions, Redox Potentials, Crystal Structures, Molecular Sorption, and Proton Conducting Behaviors.","CrystEngComm","2022","","","","","10.1039/D2CE00582D","","","1.54187","CuKα","","0.0688","0.0561","","","0.1459","0.1591","","","","","","0.929","","","","has coordinates","276412","2022-06-29","22:40:39",""
"7245113","16.8353","0.0004","8.4802","0.0002","23.129","0.0006","90","","110.799","0.008","90","","3086.9","0.2","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C60 H84 N12 O19 -","- C60 H84 N12 O19 -","- C120 H168 N24 O38 -","2","1","","Shimizu, Yuta; Takeda, Takashi; Hoshino, Norihisa; Akutagawa, Tomoyuki","Tetranitro- and Tetraamino- dibenzo[18]crown-6-ether Derivatives: Complexes for Alkali Metal Ions, Redox Potentials, Crystal Structures, Molecular Sorption, and Proton Conducting Behaviors.","CrystEngComm","2022","","","","","10.1039/D2CE00582D","","","1.54187","CuKα","","0.0978","0.0707","","","0.2034","0.2282","","","","","","1.059","","","","has coordinates","276412","2022-06-29","22:40:39",""
"7245114","11.1964","0.0002","16.847","0.0004","19.1707","0.0004","90","","90","","90","","3616.09","0.13","296","","296","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C20 H46 K N4 O24 S3 -","- C20 H20 K N4 O24 S3 -","- C80 H80 K4 N16 O96 S12 -","4","1","","Shimizu, Yuta; Takeda, Takashi; Hoshino, Norihisa; Akutagawa, Tomoyuki","Tetranitro- and Tetraamino- dibenzo[18]crown-6-ether Derivatives: Complexes for Alkali Metal Ions, Redox Potentials, Crystal Structures, Molecular Sorption, and Proton Conducting Behaviors.","CrystEngComm","2022","","","","","10.1039/D2CE00582D","","","1.54187","CuKα","","0.0871","0.0722","","","0.2073","0.2239","","","","","","1.048","","","","has coordinates","276412","2022-06-29","22:40:39",""
"7245115","34.7439","0.0009","8.1437","0.0002","23.0281","0.0006","90","","90","","90","","6515.7","0.3","296","","296","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C40 H88 N8 Na Ne0.5 O46 S6 -","- C80 H80 N16 Na O92 S12 -","- C160 H160 N32 Na2 O184 S24 -","2","0.5","","Shimizu, Yuta; Takeda, Takashi; Hoshino, Norihisa; Akutagawa, Tomoyuki","Tetranitro- and Tetraamino- dibenzo[18]crown-6-ether Derivatives: Complexes for Alkali Metal Ions, Redox Potentials, Crystal Structures, Molecular Sorption, and Proton Conducting Behaviors.","CrystEngComm","2022","","","","","10.1039/D2CE00582D","","","1.54187","CuKα","","0.1296","0.0861","","","0.2255","0.2615","","","","","","1.047","","","","has coordinates","276412","2022-06-29","22:40:39",""
"7245116","12.892","0.017","9.895","0.013","17.43","0.02","90","0.04","105.86","0.03","90","0.04","2139","5","298","2","298","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C16 H18 Cl2 Cu2 N4 O2 -","- C16 H18 Cl2 Cu2 N4 O2 -","- C64 H72 Cl8 Cu8 N16 O8 -","4","1","","Zhu, Jinjiao; Sun, Yajun; Ding, Weilinsen; Li, Peiyuan; Pang, Qingyang; Dou, Xinwen; Bian, Li; Ju, Qiang; Fang, Zhenlan","Coordination networks constructed from a flexible ligand: single-crystal-to-single-crystal transformations, thermoresponsive and electrochemical performances","CrystEngComm","2022","","","","","10.1039/D2CE00661H","","","0.71073","MoKα","","0.0863","0.0429","","","0.1119","0.1393","","","","","","1","","","","has coordinates","276413","2022-06-29","22:42:31",""
"7245117","12.3785","0.0014","9.4933","0.001","16.918","0.002","90","","106.036","0.003","90","","1910.7","0.4","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C16 H18 Cl2 Cu2 N4 O2 -","- C16 H18 Cl2 Cu2 N4 O2 -","- C64 H72 Cl8 Cu8 N16 O8 -","4","1","","Zhu, Jinjiao; Sun, Yajun; Ding, Weilinsen; Li, Peiyuan; Pang, Qingyang; Dou, Xinwen; Bian, Li; Ju, Qiang; Fang, Zhenlan","Coordination networks constructed from a flexible ligand: single-crystal-to-single-crystal transformations, thermoresponsive and electrochemical performances","CrystEngComm","2022","","","","","10.1039/D2CE00661H","","","0.71073","MoKα","","0.0507","0.0343","","","0.0914","0.108","","","","","","1.022","","","","has coordinates","276413","2022-06-29","22:42:32",""
"7245118","12.3916","0.0009","9.4953","0.0007","16.9063","0.0012","90","","106.072","0.002","90","","1911.5","0.2","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C16 H18 Cl2 Cu2 N4 O2 -","- C16 H18 Cl2 Cu2 N4 O2 -","- C64 H72 Cl8 Cu8 N16 O8 -","4","1","","Zhu, Jinjiao; Sun, Yajun; Ding, Weilinsen; Li, Peiyuan; Pang, Qingyang; Dou, Xinwen; Bian, Li; Ju, Qiang; Fang, Zhenlan","Coordination networks constructed from a flexible ligand: single-crystal-to-single-crystal transformations, thermoresponsive and electrochemical performances","CrystEngComm","2022","","","","","10.1039/D2CE00661H","","","0.71073","MoKα","","0.0451","0.0329","","","0.0868","0.1017","","","","","","1.063","","","","has coordinates","276413","2022-06-29","22:42:32",""
"7245119","13.097","0.002","9.6809","0.0015","16.8","0.003","90","","107.535","0.005","90","","2031.1","0.6","297","2","297","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C16 H18 Br2 Cu2 N4 O2 -","- C16 H18 Br2 Cu2 N4 O2 -","- C64 H72 Br8 Cu8 N16 O8 -","4","1","","Zhu, Jinjiao; Sun, Yajun; Ding, Weilinsen; Li, Peiyuan; Pang, Qingyang; Dou, Xinwen; Bian, Li; Ju, Qiang; Fang, Zhenlan","Coordination networks constructed from a flexible ligand: single-crystal-to-single-crystal transformations, thermoresponsive and electrochemical performances","CrystEngComm","2022","","","","","10.1039/D2CE00661H","","","0.71073","MoKα","","0.0745","0.039","","","0.0817","0.0959","","","","","","1.015","","","","has coordinates","276413","2022-06-29","22:42:32",""
"7245120","12.5432","0.0015","9.5412","0.0011","16.985","0.002","90","","106.366","0.004","90","","1950.4","0.4","298","2","298","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C16 H18 Cl2 Cu2 N4 O2 -","- C16 H18 Cl2 Cu2 N4 O2 -","- C64 H72 Cl8 Cu8 N16 O8 -","4","1","","Zhu, Jinjiao; Sun, Yajun; Ding, Weilinsen; Li, Peiyuan; Pang, Qingyang; Dou, Xinwen; Bian, Li; Ju, Qiang; Fang, Zhenlan","Coordination networks constructed from a flexible ligand: single-crystal-to-single-crystal transformations, thermoresponsive and electrochemical performances","CrystEngComm","2022","","","","","10.1039/D2CE00661H","","","0.71073","MoKα","","0.0924","0.0451","","","0.1201","0.1538","","","","","","1.049","","","","has coordinates","276413","2022-06-29","22:42:32",""
"7245121","13.0123","0.0013","9.6529","0.0009","16.7087","0.0018","90","","107.453","0.003","90","","2002.1","0.3","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C16 H18 Br2 Cu2 N4 O2 -","- C16 H18 Br2 Cu2 N4 O2 -","- C64 H72 Br8 Cu8 N16 O8 -","4","1","","Zhu, Jinjiao; Sun, Yajun; Ding, Weilinsen; Li, Peiyuan; Pang, Qingyang; Dou, Xinwen; Bian, Li; Ju, Qiang; Fang, Zhenlan","Coordination networks constructed from a flexible ligand: single-crystal-to-single-crystal transformations, thermoresponsive and electrochemical performances","CrystEngComm","2022","","","","","10.1039/D2CE00661H","","","0.71073","MoKα","","0.088","0.0496","","","0.1059","0.1224","","","","","","1.005","","","","has coordinates","276413","2022-06-29","22:42:32",""
"7245122","8.7825","0.0004","16.4044","0.0007","11.3954","0.0004","90","","96.42","0.004","90","","1631.46","0.12","101","1","101","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-chloro-[1,2,4]triazolo[3,4-a]phthalazine","","- C9 H5 Cl N4 -","- C9 H5 Cl N4 -","- C72 H40 Cl8 N32 -","8","2","","Zaib, Sumera; Ibrar, Aliya; Ramay, Marriyam; Zahra, Shabab; Hökelek, Tuncer; Simpson, Jim; McAdam, Christopher John John; Awwad, Nasser S.; Ibrahium, Hala A.; Frontera, Antonio; Khan, Imtiaz","Centroid…centroid and hydrogen bond interactions as robust supramolecular units for crystal engineering: X-ray crystallographic, computational and urease inhibitory investigations of 1,2,4-triazolo[3,4-a]phthalazines","CrystEngComm","2022","","","","","10.1039/D2CE00351A","","","1.54184","CuKα","","0.0585","0.0488","","","0.1285","0.1411","","","","","","1.06","","","","has coordinates","276414","2022-06-29","22:43:11",""
"7245123","8.8082","0.0001","7.3685","0.0001","14.2931","0.0002","90","","90.213","0.002","90","","927.66","0.02","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6-chloro-3-methyl-[1,2,4]triazolo[3,4-a]phthalazine","","- C10 H7 Cl N4 -","- C10 H7 Cl N4 -","- C40 H28 Cl4 N16 -","4","1","","Zaib, Sumera; Ibrar, Aliya; Ramay, Marriyam; Zahra, Shabab; Hökelek, Tuncer; Simpson, Jim; McAdam, Christopher John John; Awwad, Nasser S.; Ibrahium, Hala A.; Frontera, Antonio; Khan, Imtiaz","Centroid…centroid and hydrogen bond interactions as robust supramolecular units for crystal engineering: X-ray crystallographic, computational and urease inhibitory investigations of 1,2,4-triazolo[3,4-a]phthalazines","CrystEngComm","2022","","","","","10.1039/D2CE00351A","","","1.54184","CuKα","","0.03","0.0267","","","0.0662","0.0689","","","","","","1.06","","","","has coordinates","276414","2022-06-29","22:43:12",""
"7245124","9.3237","0.0019","12.028","0.002","7.281","0.0015","90","","98.28","0.03","90","","808","0.3","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H14 Co N12 O10 -","- C6 H14 Co N12 O10 -","- C12 H28 Co2 N24 O20 -","2","0.5","","Zhang, Lu; Dong, Wen-Shuai; Lu, Zu-Jia; Wang, Tingwei; Zhang, Chao; Zhou, Zun-ning; Zhang, Jianguo","Synthesis and Characterization of Thermally Stable Energetic Complexes with 3,5-diaminopyrazolone-4-oxime as Nitrogen-Rich Ligand","CrystEngComm","2022","","","","","10.1039/D2CE00715K","","","","","","0.071","","","","","","","","","","","","","","","has coordinates","276415","2022-06-29","22:44:03",""
"7245125","6.279","0.0006","6.6441","0.0007","17.6502","0.0015","90","","93.914","0.002","90","","734.62","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H9 N5 O3 -","- C3 H9 N5 O3 -","- C12 H36 N20 O12 -","4","1","","Zhang, Lu; Dong, Wen-Shuai; Lu, Zu-Jia; Wang, Tingwei; Zhang, Chao; Zhou, Zun-ning; Zhang, Jianguo","Synthesis and Characterization of Thermally Stable Energetic Complexes with 3,5-diaminopyrazolone-4-oxime as Nitrogen-Rich Ligand","CrystEngComm","2022","","","","","10.1039/D2CE00715K","","","0.71073","MoKα","","0.1136","0.0717","","","0.2029","0.2372","","","","","","1.054","","","","has coordinates,has disorder","276415","2022-06-29","22:44:03",""
"7245126","9.256","0.0008","12.1628","0.0011","7.5984","0.0007","90","","99.304","0.002","90","","844.17","0.13","","","298.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H14 Cd N12 O10 -","- C6 H14 Cd N12 O10 -","- C12 H28 Cd2 N24 O20 -","2","0.5","","Zhang, Lu; Dong, Wen-Shuai; Lu, Zu-Jia; Wang, Tingwei; Zhang, Chao; Zhou, Zun-ning; Zhang, Jianguo","Synthesis and Characterization of Thermally Stable Energetic Complexes with 3,5-diaminopyrazolone-4-oxime as Nitrogen-Rich Ligand","CrystEngComm","2022","","","","","10.1039/D2CE00715K","","","0.71073","MoKα","","0.0639","0.055","","","0.1453","0.1511","","","","","","1.0661","","","","has coordinates","276415","2022-06-29","22:44:03",""
"7245131","13.9994","0.0002","15.2612","0.0003","17.7824","0.0003","89.9738","0.0015","86.8717","0.0014","89.3377","0.0013","3793.25","0.11","100.02","0.1","100.02","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C72 H60 Ce5 N4 O34 -","- C72 H60 Ce5 N4 O34 -","- C144 H120 Ce10 N8 O68 -","2","1","","Wasson, Megan C.; Xie, Haomiao; Wang, Xingjie; Duncan, Joshua S.; Farha, Omar K.","Structural transformation of metal oxo species within UiO-66 type metal–organic frameworks","CrystEngComm","2022","","","","","10.1039/D2CE00650B","","x-ray","1.54184","CuKα","","0.1231","0.1205","","","0.3275","0.3285","","","","","","1.128","","","","has coordinates","276456","2022-06-30","22:35:24",""
"7245132","9.6556","0.0006","9.6556","0.0006","18.7426","0.0009","90","","90","","120","","1513.28","0.15","100","","100","","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C H7 N10 Na2 O2.5 -","- C H7 N10 Na2 O2.5 -","- C6 H42 N60 Na12 O15 -","6","1","","Xu, Yuangang; Xu, Ze; Zhang, Xiaopeng; Hou, Tianyang; Lu, Ming","[Na4(N5)4(H2O)2]·H2O·2MeOH: a honeycomb-like sodium pentazolate framework with helical chains","CrystEngComm","2022","","","","","10.1039/D2CE00713D","","","0.71073","MoKα","","0.0587","0.0551","","","0.1412","0.1444","","","","","","1.046","","","","has coordinates","276457","2022-06-30","22:35:48",""
"7245133","8.3288","0.0003","8.9675","0.0003","17.7852","0.0007","90","","90","","90","","1328.35","0.08","249.99","0.13","249.99","0.13","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C7 H8 Cs Fe N7 O -","- C7 H8 Cs Fe N7 O -","- C28 H32 Cs4 Fe4 N28 O4 -","4","1","","Li, Qi-Yao; Li, Mao-Fan; Chen, Xiao-Xian; Gong, Ya-Ping; Liu, De-Xuan; Xu, Wei-Jian; Zhang, Wei-Xiong","Near-room-temperature dielectric switch and thermal expansion anomaly in a new hybrid crystal: (Me2NH2)[CsFe(CN)5(NO)]","CrystEngComm","2022","","","","","10.1039/D2CE00754A","","","0.71073","MoKα","","0.0229","0.0204","","","0.0432","0.0443","","","","","","1.043","","","","has coordinates","276458","2022-06-30","22:36:10",""
"7245134","8.286","0.0003","9.0586","0.0004","18.0168","0.0007","90","","90","","90","","1352.33","0.09","293","2","293","2","","","","","","","","6","B m m b","-B 2b 2","63","","","","- C7 H8 Cs Fe N7 O -","- C7 H8 Cs Fe N7 O -","- C28 H32 Cs4 Fe4 N28 O4 -","4","0.25","","Li, Qi-Yao; Li, Mao-Fan; Chen, Xiao-Xian; Gong, Ya-Ping; Liu, De-Xuan; Xu, Wei-Jian; Zhang, Wei-Xiong","Near-room-temperature dielectric switch and thermal expansion anomaly in a new hybrid crystal: (Me2NH2)[CsFe(CN)5(NO)]","CrystEngComm","2022","","","","","10.1039/D2CE00754A","","","0.71073","MoKα","","0.0298","0.0263","","","0.0678","0.0712","","","","","","1.106","","","","has coordinates,has disorder","276458","2022-06-30","22:36:11",""
"7245137","11.9515","0.0004","14.8622","0.0005","13.3026","0.0005","90","","112.244","0.001","90","","2187.04","0.13","295","2","295","2","","","","","","","","4","C 1 c 1","C -2yc","9","","4',4'''-(1-hydroxy-3-oxoprop-1-ene-1,3-diyl)bis([1,1'-biphenyl]-4-carbonitrile)","","- C29 H18 N2 O2 -","- C29 H18 N2 O2 -","- C116 H72 N8 O8 -","4","1","","Blasi, Delia; Quici, Silvio; Orlandi, Simonetta; Mercandelli, Pierluigi; Sokolov, Andrey V.; Alexandrov, Eugeny V.; Carlucci, Lucia","Design and synthesis of new luminescent coordination networks of sql topology showing the highest degrees of interpenetration","CrystEngComm","2022","","","","","10.1039/D2CE00884J","","","0.71073","MoKα","","0.0728","0.0477","","","0.1154","0.1304","","","","","","1.08","","","","has coordinates","276548","2022-07-04","22:31:19",""
"7245138","50.83","0.004","5.9067","0.0004","32.66","0.002","90","","90","","90","","9805.8","1.2","295","2","295","2","","","","","","","","7","F d d 2","F 2 -2d","43","","bis(μ-4',4'''-(1-hydroxy-3-oxoprop-1-ene-1,3-diyl)bis([1,1'-biphenyl]-4-carbonitrile))-silver(I) trifluoromethanesulfonate","","- C59 H36 Ag F3 N4 O7 S -","- C59 H36 Ag F3 N4 O7 S -","- C472 H288 Ag8 F24 N32 O56 S8 -","8","0.5","","Blasi, Delia; Quici, Silvio; Orlandi, Simonetta; Mercandelli, Pierluigi; Sokolov, Andrey V.; Alexandrov, Eugeny V.; Carlucci, Lucia","Design and synthesis of new luminescent coordination networks of sql topology showing the highest degrees of interpenetration","CrystEngComm","2022","","","","","10.1039/D2CE00884J","","","0.71073","MoKα","","0.1051","0.0767","","","0.141","0.1482","","","","","","1.22","","","","has coordinates","276548","2022-07-04","22:31:20",""
"7245139","17.1383","0.001","27.1434","0.0015","5.0213","0.0003","90","","90","","90","","2335.9","0.2","295","2","295","2","","","","","","","","5","P b a n :2","-P 2ab 2b","50","","bis(μ-4',4'''-(1-hydroxy-3-oxoprop-1-ene-1,3-diyl)bis([1,1'-biphenyl]-4-carbonitrile))-silver(I) nitrate trihydrate","","- C58 H42 Ag N5 O10 -","- C58 H36 Ag N4 O4 -","- C116 H72 Ag2 N8 O8 -","2","0.25","","Blasi, Delia; Quici, Silvio; Orlandi, Simonetta; Mercandelli, Pierluigi; Sokolov, Andrey V.; Alexandrov, Eugeny V.; Carlucci, Lucia","Design and synthesis of new luminescent coordination networks of sql topology showing the highest degrees of interpenetration","CrystEngComm","2022","","","","","10.1039/D2CE00884J","","","0.71073","MoKα","","0.0626","0.0369","","","0.0766","0.0844","","","","","","1.059","","","","has coordinates","276548","2022-07-04","22:31:20",""
"7245140","19.887","0.0008","11.7908","0.0005","10.2014","0.0004","90","","84.289","0.001","90","","2380.19","0.17","273.15","","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 Mo N4 O7 Zn -","- C25 H18 Mo N4 O7 Zn -","- C100 H72 Mo4 N16 O28 Zn4 -","4","1","","Wang, Xiu-Li; Zhang, Yue; Chen, Yong-Zhen; Wang, Yue; Wang, Xiang","Two polymolybdate-directed Zn(ii) complexes tuned by a new bis-pyridine-bis-amide ligand with a diphenylketone spacer for efficient ampere sensing and dye adsorption","CrystEngComm","2022","","","","","10.1039/D2CE00697A","","x-ray","0.71073","MoKα","K-L~3~","0.0487","0.0318","","","0.0782","0.0924","","","","","","1.088","","","","has coordinates","276708","2022-07-06","22:38:52",""
"7245141","12.0142","0.0005","19.6645","0.0009","22.4864","0.0011","81.387","0.001","76.824","0.001","89.566","0.001","5112.3","0.4","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C150 H128 Cr4 Mo24 N24 O128 Zn2 -","- C150 H128 Cr4 Mo24 N24 O127.5 Zn2 -","- C150 H128 Cr4 Mo24 N24 O127.5 Zn2 -","1","0.5","","Wang, Xiu-Li; Zhang, Yue; Chen, Yong-Zhen; Wang, Yue; Wang, Xiang","Two polymolybdate-directed Zn(ii) complexes tuned by a new bis-pyridine-bis-amide ligand with a diphenylketone spacer for efficient ampere sensing and dye adsorption","CrystEngComm","2022","","","","","10.1039/D2CE00697A","","x-ray","0.71073","MoKα","K-L~3~","0.1016","0.051","","","0.1175","0.1456","","","","","","1.008","","","","has coordinates","276708","2022-07-06","22:38:53",""
"7245142","21.4967","0.0003","17.7167","0.0003","27.0552","0.0004","90","","90","","90","","10304","0.3","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C80 H78 Mo12 N4 Nd O47 P5 -","- C80 H78 Mo12 N4 Nd O47 P5 -","- C320 H312 Mo48 N16 Nd4 O188 P20 -","4","0.5","","Jin, Guan-Yu; Zhang, Lan; Hu, Fu-Zhen; Hu, Cong; Lu, Yan-Lei; Li, Ying-Yu; Han, Hong-Liang; Liu, Jian-Ming; Yang, Yu-Ping; Jin, Qiong-Hua; Li, Xing-Ru","Photocatalysis, terahertz time domain spectroscopy and weak interactions of six polyoxometalate-based lanthanide phosphine oxide complexes","CrystEngComm","2022","","","","","10.1039/D2CE00779G","","","1.54184","CuKα","","0.0928","0.0894","","","0.2392","0.2428","","","","","","1.09","","","","has coordinates","276711","2022-07-06","22:40:43",""
"7245143","21.507","0.002","17.6612","0.0018","27.356","0.003","90","","90","","90","","10390.9","1.8","298","2","298","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C80 H90 Dy Mo12 O51 P5 -","- C80 H90 Dy Mo12 O51 P5 -","- C320 H360 Dy4 Mo48 O204 P20 -","4","0.5","","Jin, Guan-Yu; Zhang, Lan; Hu, Fu-Zhen; Hu, Cong; Lu, Yan-Lei; Li, Ying-Yu; Han, Hong-Liang; Liu, Jian-Ming; Yang, Yu-Ping; Jin, Qiong-Hua; Li, Xing-Ru","Photocatalysis, terahertz time domain spectroscopy and weak interactions of six polyoxometalate-based lanthanide phosphine oxide complexes","CrystEngComm","2022","","","","","10.1039/D2CE00779G","","","0.71073","MoKα","","0.1119","0.0555","","","0.1118","0.1348","","","","","","1.008","","","","has coordinates,has disorder","276711","2022-07-06","22:40:44",""
"7245144","21.49","0.003","17.646","0.003","27.381","0.004","90","","90","","90","","10383","3","298","2","298","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C8.89 H9.89 Er0.11 Mo1.33 O5.67 P0.56 -","- C8.88889 H9.88889 Er0.111111 Mo1.33333 O5.66667 P0.555556 -","- C320 H356 Er4 Mo48 O204 P20 -","36","4.5","","Jin, Guan-Yu; Zhang, Lan; Hu, Fu-Zhen; Hu, Cong; Lu, Yan-Lei; Li, Ying-Yu; Han, Hong-Liang; Liu, Jian-Ming; Yang, Yu-Ping; Jin, Qiong-Hua; Li, Xing-Ru","Photocatalysis, terahertz time domain spectroscopy and weak interactions of six polyoxometalate-based lanthanide phosphine oxide complexes","CrystEngComm","2022","","","","","10.1039/D2CE00779G","","","0.71073","MoKα","","0.0847","0.0463","","","0.0948","0.1095","","","","","","1.031","","","","has coordinates,has disorder","276711","2022-07-06","22:40:44",""
"7245145","21.5225","0.0019","17.6625","0.0017","27.352","0.003","90","","90","","90","","10397.6","1.8","298","2","298","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C80 H90 Ho Mo12 O51 P5 -","- C80 H90 Ho Mo12 O51 P5 -","- C320 H360 Ho4 Mo48 O204 P20 -","4","0.5","","Jin, Guan-Yu; Zhang, Lan; Hu, Fu-Zhen; Hu, Cong; Lu, Yan-Lei; Li, Ying-Yu; Han, Hong-Liang; Liu, Jian-Ming; Yang, Yu-Ping; Jin, Qiong-Hua; Li, Xing-Ru","Photocatalysis, terahertz time domain spectroscopy and weak interactions of six polyoxometalate-based lanthanide phosphine oxide complexes","CrystEngComm","2022","","","","","10.1039/D2CE00779G","","","0.71073","MoKα","","0.092","0.05","","","0.0977","0.1153","","","","","","1.04","","","","has coordinates,has disorder","276711","2022-07-06","22:40:44",""
"7245146","25.36","0.002","14.4109","0.0013","24.175","0.002","90","","113.578","0.004","90","","8097.4","1.2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H77 Er Mo12 N O59 P7 -","- C32 H77 Er Mo12 N O59 P7 -","- C128 H308 Er4 Mo48 N4 O236 P28 -","4","1","","Jin, Guan-Yu; Zhang, Lan; Hu, Fu-Zhen; Hu, Cong; Lu, Yan-Lei; Li, Ying-Yu; Han, Hong-Liang; Liu, Jian-Ming; Yang, Yu-Ping; Jin, Qiong-Hua; Li, Xing-Ru","Photocatalysis, terahertz time domain spectroscopy and weak interactions of six polyoxometalate-based lanthanide phosphine oxide complexes","CrystEngComm","2022","","","","","10.1039/D2CE00779G","","","0.71073","MoKα","","0.1057","0.0634","","","0.1491","0.1676","","","","","","1.023","","","","has coordinates","276711","2022-07-06","22:40:44",""
"7245147","13.7635","0.0011","14.7371","0.0012","27.829","0.003","100.615","0.003","95.236","0.002","114.371","0.004","4964.7","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H102 Mo12 N2 Nd O68 P9 -","- C44 H102 Mo12 N2 Nd O68 P9 -","- C88 H204 Mo24 N4 Nd2 O136 P18 -","2","1","","Jin, Guan-Yu; Zhang, Lan; Hu, Fu-Zhen; Hu, Cong; Lu, Yan-Lei; Li, Ying-Yu; Han, Hong-Liang; Liu, Jian-Ming; Yang, Yu-Ping; Jin, Qiong-Hua; Li, Xing-Ru","Photocatalysis, terahertz time domain spectroscopy and weak interactions of six polyoxometalate-based lanthanide phosphine oxide complexes","CrystEngComm","2022","","","","","10.1039/D2CE00779G","","","0.71073","MoKα","","0.1785","0.0925","","","0.2049","0.231","","","","","","1.238","","","","has coordinates","276711","2022-07-06","22:40:44",""
"7245149","11.4353","0.0002","8.3568","0.0001","18.7182","0.0002","90","","90","","90","","1788.76","0.04","298","","298","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H9 N3 S2 -","- C6 H9 N3 S2 -","- C48 H72 N24 S16 -","8","1","","Wzgarda-Raj, Kinga; Książkiewicz, Olga; Palusiak, Marcin","Co-crystal synthesis of 2- and 4-mercaptopyridines with thiourea and its analogue, trithiocyanuric acid","CrystEngComm","2022","","","","","10.1039/D2CE00592A","","","1.54184","CuKα","","0.044","0.0412","","","0.1197","0.1229","","","","","","1.076","","","","has coordinates","276811","2022-07-22","23:28:41",""
"7245150","10.517","0.0002","10.8672","0.0001","8.4287","0.0001","90","","107.92","0.002","90","","916.59","0.02","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H9 N3 S2 -","- C6 H9 N3 S2 -","- C24 H36 N12 S8 -","4","1","","Wzgarda-Raj, Kinga; Książkiewicz, Olga; Palusiak, Marcin","Co-crystal synthesis of 2- and 4-mercaptopyridines with thiourea and its analogue, trithiocyanuric acid","CrystEngComm","2022","","","","","10.1039/D2CE00592A","","x-ray","1.54184","CuKα","","0.0412","0.0383","","","0.1085","0.1115","","","","","","1.089","","","","has coordinates","276811","2022-07-22","23:28:42",""
"7245151","4.1956","0.0001","10.848","0.0003","13.5301","0.0004","99.138","0.002","93.308","0.002","93.37","0.002","605.53","0.03","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C8 H8 N4 S4 -","- C8 H8 N4 S4 -","- C16 H16 N8 S8 -","2","1","","Wzgarda-Raj, Kinga; Książkiewicz, Olga; Palusiak, Marcin","Co-crystal synthesis of 2- and 4-mercaptopyridines with thiourea and its analogue, trithiocyanuric acid","CrystEngComm","2022","","","","","10.1039/D2CE00592A","","x-ray","1.54184","CuKα","","0.035","0.0312","","","0.0809","0.0832","","","","","","1.061","","","","has coordinates","276811","2022-07-22","23:28:42",""
"7245152","4.114","0.0001","12.3715","0.0001","23.8214","0.0002","90","","90.32","0.001","90","","1212.4","0.03","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H8 N4 S4 -","- C8 H8 N4 S4 -","- C32 H32 N16 S16 -","4","1","","Wzgarda-Raj, Kinga; Książkiewicz, Olga; Palusiak, Marcin","Co-crystal synthesis of 2- and 4-mercaptopyridines with thiourea and its analogue, trithiocyanuric acid","CrystEngComm","2022","","","","","10.1039/D2CE00592A","","x-ray","1.54184","CuKα","","0.0284","0.026","","","0.0623","0.0635","","","","","","1.053","","","","has coordinates","276811","2022-07-22","23:28:42",""
"7245153","10.473","0.001","10.473","0.001","7.2162","0.0006","90","","90","","120","","685.46","0.11","342","","342","","","","","","","","","6","P -6 2 c","P -6c -2c","190","","","","- C9 H12 Co K N5 O3 -","- C9 H12 Co K N5 O3 -","- C18 H24 Co2 K2 N10 O6 -","2","0.166667","","Tsunashima, Ryo; Fujikawa, Naomi; Shiga, Misaki; Miyagawa, Sayu; Ohno, Shiori; Masuya-Suzuki, Atsuko; Takahashi, Kiyonori; Nakamura, Takayoshi; Akutagawa, Tomoyuki; Nishihara, Sadafumi","Slider-crank Mechanism in a Molecular Crystal: Conversion of Linear Thermal Expansion of Lattice to Circular Rotation of Coordination Chain","CrystEngComm","2022","","","","","10.1039/D2CE00768A","","x-ray","0.71073","MoKα","","0.035","0.0288","","","0.0715","0.0742","","","","","","1.071","","","","has coordinates","276812","2022-07-22","23:29:18",""
"7245154","10.6103","0.0012","10.6103","0.0012","7.2328","0.0006","90","","90","","120","","705.17","0.13","446","","446","","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C9 H12 Co K N5 O3 -","- C9 H12 Co K N5 O3 -","- C18 H24 Co2 K2 N10 O6 -","2","0.0833333","","Tsunashima, Ryo; Fujikawa, Naomi; Shiga, Misaki; Miyagawa, Sayu; Ohno, Shiori; Masuya-Suzuki, Atsuko; Takahashi, Kiyonori; Nakamura, Takayoshi; Akutagawa, Tomoyuki; Nishihara, Sadafumi","Slider-crank Mechanism in a Molecular Crystal: Conversion of Linear Thermal Expansion of Lattice to Circular Rotation of Coordination Chain","CrystEngComm","2022","","","","","10.1039/D2CE00768A","","x-ray","0.71073","MoKα","","0.0321","0.0284","","","0.0839","0.0873","","","","","","1.092","","","","has coordinates","276812","2022-07-22","23:29:19",""
"7245155","10.3782","0.0006","10.3782","0.0006","7.153","0.0004","90","","90","","120","","667.21","0.07","187","","187","","","","","","","","","6","P -6 2 c","P -6c -2c","190","","","","- C9 H12 Co K N5 O3 -","- C9 H12 Co K N5 O3 -","- C18 H24 Co2 K2 N10 O6 -","2","0.166667","","Tsunashima, Ryo; Fujikawa, Naomi; Shiga, Misaki; Miyagawa, Sayu; Ohno, Shiori; Masuya-Suzuki, Atsuko; Takahashi, Kiyonori; Nakamura, Takayoshi; Akutagawa, Tomoyuki; Nishihara, Sadafumi","Slider-crank Mechanism in a Molecular Crystal: Conversion of Linear Thermal Expansion of Lattice to Circular Rotation of Coordination Chain","CrystEngComm","2022","","","","","10.1039/D2CE00768A","","","0.71073","MoKα","","0.0352","0.03","","","0.0725","0.0747","","","","","","1.086","","","","has coordinates","276812","2022-07-22","23:29:19",""
"7245156","10.5556","0.0006","10.5556","0.0006","7.2239","0.0003","90","","90","","120","","697.06","0.06","390","","390","","","","","","","","","6","P -6 2 c","P -6c -2c","190","","","","- C9 H12 Co K N5 O3 -","- C9 H12 Co K N5 O3 -","- C18 H24 Co2 K2 N10 O6 -","2","0.166667","","Tsunashima, Ryo; Fujikawa, Naomi; Shiga, Misaki; Miyagawa, Sayu; Ohno, Shiori; Masuya-Suzuki, Atsuko; Takahashi, Kiyonori; Nakamura, Takayoshi; Akutagawa, Tomoyuki; Nishihara, Sadafumi","Slider-crank Mechanism in a Molecular Crystal: Conversion of Linear Thermal Expansion of Lattice to Circular Rotation of Coordination Chain","CrystEngComm","2022","","","","","10.1039/D2CE00768A","","","0.71073","MoKα","","0.0574","0.0452","","","0.1161","0.1259","","","","","","1.005","","","","has coordinates","276812","2022-07-22","23:29:19",""
"7245157","10.453","0.0005","10.453","0.0005","7.1875","0.0003","90","","90","","120","","680.13","0.05","303","","303","","","","","","","","","6","P -6 2 c","P -6c -2c","190","","","","- C9 H12 Co K N5 O3 -","- C9 H12 Co K N5 O3 -","- C18 H24 Co2 K2 N10 O6 -","2","0.166667","","Tsunashima, Ryo; Fujikawa, Naomi; Shiga, Misaki; Miyagawa, Sayu; Ohno, Shiori; Masuya-Suzuki, Atsuko; Takahashi, Kiyonori; Nakamura, Takayoshi; Akutagawa, Tomoyuki; Nishihara, Sadafumi","Slider-crank Mechanism in a Molecular Crystal: Conversion of Linear Thermal Expansion of Lattice to Circular Rotation of Coordination Chain","CrystEngComm","2022","","","","","10.1039/D2CE00768A","","x-ray","0.71073","MoKα","","0.0374","0.0279","","","0.0648","0.0682","","","","","","1.097","","","","has coordinates","276812","2022-07-22","23:29:19",""
"7245158","10.3499","0.0005","10.3499","0.0005","7.1351","0.0004","90","","90","","120","","661.92","0.06","135","","135","","","","","","","","","6","P -6 2 c","P -6c -2c","190","","","","- C9 H12 Co K N5 O3 -","- C9 H12 Co K N5 O3 -","- C18 H24 Co2 K2 N10 O6 -","2","0.166667","","Tsunashima, Ryo; Fujikawa, Naomi; Shiga, Misaki; Miyagawa, Sayu; Ohno, Shiori; Masuya-Suzuki, Atsuko; Takahashi, Kiyonori; Nakamura, Takayoshi; Akutagawa, Tomoyuki; Nishihara, Sadafumi","Slider-crank Mechanism in a Molecular Crystal: Conversion of Linear Thermal Expansion of Lattice to Circular Rotation of Coordination Chain","CrystEngComm","2022","","","","","10.1039/D2CE00768A","","x-ray","0.71073","MoKα","","0.0282","0.0261","","","0.0814","0.0834","","","","","","0.71","","","","has coordinates","276812","2022-07-22","23:29:19",""
"7245159","10.411","0.0007","10.411","0.0007","7.1669","0.0004","90","","90","","120","","672.74","0.07","239","","239","","","","","","","","","6","P -6 2 c","P -6c -2c","190","","","","- C9 H12 Co K N5 O3 -","- C9 H12 Co K N5 O3 -","- C18 H24 Co2 K2 N10 O6 -","2","0.166667","","Tsunashima, Ryo; Fujikawa, Naomi; Shiga, Misaki; Miyagawa, Sayu; Ohno, Shiori; Masuya-Suzuki, Atsuko; Takahashi, Kiyonori; Nakamura, Takayoshi; Akutagawa, Tomoyuki; Nishihara, Sadafumi","Slider-crank Mechanism in a Molecular Crystal: Conversion of Linear Thermal Expansion of Lattice to Circular Rotation of Coordination Chain","CrystEngComm","2022","","","","","10.1039/D2CE00768A","","x-ray","0.71073","MoKα","","0.0317","0.0274","","","0.0665","0.068","","","","","","1.138","","","","has coordinates","276812","2022-07-22","23:29:19",""
"7245160","7.473","0.0001","7.6103","0.0002","21.7932","0.0004","94.377","0.002","100.099","0.002","97.933","0.002","1202.1","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H22 Cl N O7 S2 -","- C24 H22 Cl N O7 S2 -","- C48 H44 Cl2 N2 O14 S4 -","2","1","","Tan, Sang Loon; Lo, Kong Mun; Tan, Yee Seng; Tiekink, Edward R. T.","Structural systematics in the isomorphous binary co-crystal solvates comprising 2,2'-dithiodibenzoic acid, 4-halobenzoic acid and dimethylformamide (1:1:1), for halide = chloride, bromide and iodide","CrystEngComm","2022","","","","","10.1039/D2CE00094F","","","1.54184","CuKα","","0.0306","0.0287","","","0.0733","0.0746","","","","","","1.035","","","","has coordinates","276813","2022-07-22","23:30:03",""
"7245161","7.454","0.0001","7.6771","0.0001","22.1343","0.0002","93.932","0.001","98.393","0.001","97.715","0.001","1236.7","0.03","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H22 I N O7 S2 -","- C24 H22 I N O7 S2 -","- C48 H44 I2 N2 O14 S4 -","2","1","","Tan, Sang Loon; Lo, Kong Mun; Tan, Yee Seng; Tiekink, Edward R. T.","Structural systematics in the isomorphous binary co-crystal solvates comprising 2,2'-dithiodibenzoic acid, 4-halobenzoic acid and dimethylformamide (1:1:1), for halide = chloride, bromide and iodide","CrystEngComm","2022","","","","","10.1039/D2CE00094F","","","1.54184","CuKα","","0.0264","0.0257","","","0.0698","0.0704","","","","","","1.033","","","","has coordinates","276813","2022-07-22","23:30:04",""
"7245162","7.4632","0.0001","7.6243","0.0001","21.9289","0.0004","94.304","0.001","99.668","0.001","97.86","0.001","1212.36","0.03","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H22 Br N O7 S2 -","- C24 H22 Br N O7 S2 -","- C48 H44 Br2 N2 O14 S4 -","2","1","","Tan, Sang Loon; Lo, Kong Mun; Tan, Yee Seng; Tiekink, Edward R. T.","Structural systematics in the isomorphous binary co-crystal solvates comprising 2,2'-dithiodibenzoic acid, 4-halobenzoic acid and dimethylformamide (1:1:1), for halide = chloride, bromide and iodide","CrystEngComm","2022","","","","","10.1039/D2CE00094F","","","1.54184","CuKα","","0.028","0.027","","","0.0692","0.0699","","","","","","1.061","","","","has coordinates","276813","2022-07-22","23:30:04",""
"7245163","10.0404","0.0008","9.926","0.0007","38.902","0.003","90","","90","","90","","3877","0.5","293","1","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","BUC-92","","- C19 H20 Co N2 O7 -","- C19 H20 Co N2 O7 -","- C152 H160 Co8 N16 O56 -","8","1","","Wang, Fu-Xue; Zhang, Zi-Chen; Yi, Xiao-Hong; Wang, Chong-Chen; Wang, Peng; Wang, Chao-Yang; Yu, Bao Yi","A micron-sized Co-MOF sheet to active peroxymonosulfate for efficient organic pollutant degradation","CrystEngComm","2022","","","","","10.1039/D2CE00791F","","x-ray","0.71073","MoKα","","0.1231","0.0736","","","0.1745","0.1949","","","","","","1.044","","","","has coordinates","276814","2022-07-22","23:30:41",""
"7245164","12.8973","0.0011","13.329","0.0011","10.574","0.0009","90","","90","","90","","1817.8","0.3","298","","298","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C19 H18 B F2 I N2 -","- C19 H18 B F2 I N2 -","- C76 H72 B4 F8 I4 N8 -","4","0.5","","Topaloğlu Aksoy, Burcu; Dedeoglu, Burcu; Zorlu, Yunus; Ayhan, Mehmet Menaf; Çoşut, Bünyemin","Exploring halogen⋯halogen interactions in supramolecular self-assemblies of BODIPY networks","CrystEngComm","2022","","","","","10.1039/D2CE00776B","","x-ray","0.71073","MoKα","","0.0305","0.0274","","","0.0666","0.068","","","","","","1.016","","","","has coordinates","276815","2022-07-22","23:31:34",""
"7245165","36.279","0.007","6.3131","0.001","17.888","0.003","90","","104.391","0.013","90","","3968.4","1.2","296","","296","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H17 B F2 I2 N2 -","- C19 H17 B F2 I2 N2 -","- C152 H136 B8 F16 I16 N16 -","8","1","","Topaloğlu Aksoy, Burcu; Dedeoglu, Burcu; Zorlu, Yunus; Ayhan, Mehmet Menaf; Çoşut, Bünyemin","Exploring halogen⋯halogen interactions in supramolecular self-assemblies of BODIPY networks","CrystEngComm","2022","","","","","10.1039/D2CE00776B","","x-ray","0.71073","MoKα","","0.1133","0.0556","","","0.1069","0.1267","","","","","","1.042","","","","has coordinates","276815","2022-07-22","23:31:35",""
"7245166","6.649","0.002","10.479","0.004","14","0.005","106.646","0.008","96.659","0.008","97.135","0.008","915.5","0.6","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C19 H18 B F2 I N2 -","- C19 H18 B F2 I N2 -","- C38 H36 B2 F4 I2 N4 -","2","1","","Topaloğlu Aksoy, Burcu; Dedeoglu, Burcu; Zorlu, Yunus; Ayhan, Mehmet Menaf; Çoşut, Bünyemin","Exploring halogen⋯halogen interactions in supramolecular self-assemblies of BODIPY networks","CrystEngComm","2022","","","","","10.1039/D2CE00776B","","x-ray","0.71073","MoKα","","0.1148","0.0729","","","0.1908","0.2136","","","","","","1.043","","","","has coordinates","276815","2022-07-22","23:31:35",""
"7245167","14.782","0.006","10.554","0.004","13.415","0.006","90","","107.167","0.007","90","","1999.6","1.4","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 B F2 I2 N2 -","- C19 H17 B F2 I2 N2 -","- C76 H68 B4 F8 I8 N8 -","4","1","","Topaloğlu Aksoy, Burcu; Dedeoglu, Burcu; Zorlu, Yunus; Ayhan, Mehmet Menaf; Çoşut, Bünyemin","Exploring halogen⋯halogen interactions in supramolecular self-assemblies of BODIPY networks","CrystEngComm","2022","","","","","10.1039/D2CE00776B","","x-ray","0.71073","MoKα","","0.0682","0.0415","","","0.0857","0.0974","","","","","","1.023","","","","has coordinates","276815","2022-07-22","23:31:35",""
"7245168","10.7772","0.0015","13.5103","0.0019","15.027","0.002","90","","90","","90","","2188","0.5","296","","296","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C19 H16 B F2 I3 N2 -","- C19 H16 B F2 I3 N2 -","- C76 H64 B4 F8 I12 N8 -","4","0.5","","Topaloğlu Aksoy, Burcu; Dedeoglu, Burcu; Zorlu, Yunus; Ayhan, Mehmet Menaf; Çoşut, Bünyemin","Exploring halogen⋯halogen interactions in supramolecular self-assemblies of BODIPY networks","CrystEngComm","2022","","","","","10.1039/D2CE00776B","","x-ray","0.71073","MoKα","","0.0364","0.0293","","","0.0656","0.0698","","","","","","1.034","","","","has coordinates","276815","2022-07-22","23:31:35",""
"7245169","7.5303","0.0007","9.5146","0.0008","9.5825","0.0009","70.618","0.002","66.864","0.001","66.689","0.001","567.02","0.09","298","2","298.15","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H16 N2 O5 -","- C10 H16 N2 O5 -","- C20 H32 N4 O10 -","2","1","","Wang, Yingying; Yang, Pengpeng; Li, Zihan; Shi, Yuzhong; Fu, Jinqiu; Zhang, Yajie; Zhang, Keke; Zhuang, Wei; Ying, Hanjie","Discovery and characterization of new crystal forms of bio-based nylon 4F salt","CrystEngComm","2022","","","","","10.1039/D2CE00388K","","","0.71073","MoKα","","0.1036","0.0877","","","0.2446","0.2739","","","","","","1.09","","","","has coordinates","276816","2022-07-22","23:32:43",""
"7245170","7.2019","0.0008","9.8663","0.0009","9.8663","0.0008","71.254","0.001","76.887","0.002","76.887","0.002","637.49","0.11","298","2","298.15","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H18 N2 O6 -","- C10 H18 N2 O6 -","- C20 H36 N4 O12 -","2","1","","Wang, Yingying; Yang, Pengpeng; Li, Zihan; Shi, Yuzhong; Fu, Jinqiu; Zhang, Yajie; Zhang, Keke; Zhuang, Wei; Ying, Hanjie","Discovery and characterization of new crystal forms of bio-based nylon 4F salt","CrystEngComm","2022","","","","","10.1039/D2CE00388K","","","0.71073","MoKα","","0.1165","0.0766","","","0.1842","0.202","","","","","","1.07","","","","has coordinates","276816","2022-07-22","23:32:43",""
"7245171","6.9385","0.0006","9.2887","0.0008","10.7058","0.0009","83.234","0.003","74.443","0.002","84.182","0.003","658.32","0.1","298","2","298.15","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H18 N2 O6 -","- C10 H18 N2 O6 -","- C20 H36 N4 O12 -","2","1","","Wang, Yingying; Yang, Pengpeng; Li, Zihan; Shi, Yuzhong; Fu, Jinqiu; Zhang, Yajie; Zhang, Keke; Zhuang, Wei; Ying, Hanjie","Discovery and characterization of new crystal forms of bio-based nylon 4F salt","CrystEngComm","2022","","","","","10.1039/D2CE00388K","","","0.71073","MoKα","","0.0987","0.0673","","","0.1665","0.1831","","","","","","1.074","","","","has coordinates,has disorder","276816","2022-07-22","23:32:43",""
"7245172","20.0564","0.0016","10.9978","0.0008","17.5059","0.0013","90","","111.797","0.002","90","","3585.3","0.5","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Gadolinium-Organic Compound","","","- C11 H4.5 Gd N1.5 O14 -","- C11 H4.5 Gd N1.5 O14 -","- C88 H36 Gd8 N12 O112 -","8","1","","Sarkar, Sourav; Singha, Debal Kanti; Majee, Prakash; Daga, Pooja; Mondal, Sudip Kumar; Mahata, Partha","Stabilization of CO2 as zwitterionic carbamate within a coordination polymer (CP): synthesis, structure and anion sensing behaviour of a Tb-CP composite","CrystEngComm","2022","","","","","10.1039/D2CE00711H","","","0.71073","MoKα","","0.0316","0.0296","","","0.0924","0.1005","","","","","","1.207","","","","has coordinates","276817","2022-07-22","23:33:08",""
"7245173","7.9006","0.0011","14.2403","0.0019","35.402","0.005","90","","90","","90","","3983","1","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H30 N3 O12 P3 -","- C42 H30 N3 O12 P3 -","- C168 H120 N12 O48 P12 -","4","1","","Lv, Mei-Xin; Jiang, Shan; Wang, Chen; Dong, Qi; Bai, Feng-Ying; Xing, Yong-Heng","Heterocyclic compounds bearing s-triazine and cyclotriphosphazene scaffolds: facile synthesis, hydrogen-bonded organic framework construction and fluorescent amine sensing","CrystEngComm","2022","","","","","10.1039/D2CE00717G","","","0.71073","MoKα","","0.1053","0.065","","","0.1749","0.2017","","","","","","1.048","","","","has coordinates","276818","2022-07-22","23:33:41",""
"7245174","14.5753","0.0007","14.5753","0.0007","20.6709","0.0019","90","","90","","120","","3803","0.4","296.15","","296.15","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C24 H15 N3 O6 -","- C24 H15 N3 O6 -","- C144 H90 N18 O36 -","6","0.333333","","Lv, Mei-Xin; Jiang, Shan; Wang, Chen; Dong, Qi; Bai, Feng-Ying; Xing, Yong-Heng","Heterocyclic compounds bearing s-triazine and cyclotriphosphazene scaffolds: facile synthesis, hydrogen-bonded organic framework construction and fluorescent amine sensing","CrystEngComm","2022","","","","","10.1039/D2CE00717G","","","0.71073","MoKα","","0.088","0.0523","","","0.1831","0.209","","","","","","1.094","","","","has coordinates,has disorder","276818","2022-07-22","23:33:41",""
"7245175","13.369","0.002","16.647","0.002","12.2989","0.0018","90","","115.706","0.002","90","","2466.3","0.6","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 Co N6 O4 -","- C18 H12 Co N6 O4 -","- C72 H48 Co4 N24 O16 -","4","0.5","","Zhang, Ling-Mei; Feng, Chao; Yang, Yu-Meng; Huang, Huan-Huan; Zhang, Guo-Ning; Wang, Yu-Cheng; Zhao, Hong","Influence of reaction temperature and stoichiometry on the coordination mode of a multidentate pyridylpyrazole ligand in Co(ii) complexes: from a 0D mononuclear structure to 3D frameworks","CrystEngComm","2022","","","","","10.1039/D2CE00468B","","","0.71073","MoKα","","0.0295","0.0285","","","0.0846","0.0854","","","","","","1.083","","","","has coordinates","276819","2022-07-22","23:34:26",""
"7245176","8.6637","0.0004","19.5196","0.0008","6.8599","0.0004","90","","99.97","0.005","90","","1142.57","0.1","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C9 H8 Cl Co N3 O3 -","- C9 H8 Cl Co N3 O3 -","- C36 H32 Cl4 Co4 N12 O12 -","4","1","","Zhang, Ling-Mei; Feng, Chao; Yang, Yu-Meng; Huang, Huan-Huan; Zhang, Guo-Ning; Wang, Yu-Cheng; Zhao, Hong","Influence of reaction temperature and stoichiometry on the coordination mode of a multidentate pyridylpyrazole ligand in Co(ii) complexes: from a 0D mononuclear structure to 3D frameworks","CrystEngComm","2022","","","","","10.1039/D2CE00468B","","","0.71073","MoKα","","0.0344","0.03","","","0.0756","0.0783","","","","","","1.111","","","","has coordinates","276819","2022-07-22","23:34:26",""
"7245177","10.8901","0.0008","8.7895","0.0008","19.6844","0.0016","90","","100.615","0.001","90","","1851.9","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 Co N6 O6 -","- C18 H16 Co N6 O6 -","- C72 H64 Co4 N24 O24 -","4","0.5","","Zhang, Ling-Mei; Feng, Chao; Yang, Yu-Meng; Huang, Huan-Huan; Zhang, Guo-Ning; Wang, Yu-Cheng; Zhao, Hong","Influence of reaction temperature and stoichiometry on the coordination mode of a multidentate pyridylpyrazole ligand in Co(ii) complexes: from a 0D mononuclear structure to 3D frameworks","CrystEngComm","2022","","","","","10.1039/D2CE00468B","","","0.71073","MoKα","","0.0258","0.0246","","","0.063","0.0636","","","","","","1.05","","","","has coordinates","276819","2022-07-22","23:34:26",""
"7245178","10.1471","0.0009","13.7121","0.0012","14.0607","0.0012","90","","92.858","0.003","90","","1953.9","0.3","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 Cl3 Cu N4 -","- C19 H17 Cl3 Cu N4 -","- C76 H68 Cl12 Cu4 N16 -","4","1","","Hao, Xiujia; Li, Xinyu; Li, Haitao; Zhang, Xin; Liu, Xiaozhi; Guo, Fang","Mechanosynthesis of polymeric and binuclear copper complexes via dehydrochlorination and their application in solvent-free C–S bond cross-coupling","CrystEngComm","2022","","","","","10.1039/D2CE00624C","","","0.71073","MoKα","","0.0521","0.0441","","","0.1018","0.1081","","","","","","1.084","","","","has coordinates","276820","2022-07-22","23:35:12",""
"7245179","10.502","0.002","10.56","0.003","11.248","0.003","104.664","0.007","110.573","0.007","110.692","0.008","985.9","0.4","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H34 Cl10 Cu2 N8 -","- C30 H34 Cl10 Cu2 N8 -","- C30 H34 Cl10 Cu2 N8 -","1","0.5","","Hao, Xiujia; Li, Xinyu; Li, Haitao; Zhang, Xin; Liu, Xiaozhi; Guo, Fang","Mechanosynthesis of polymeric and binuclear copper complexes via dehydrochlorination and their application in solvent-free C–S bond cross-coupling","CrystEngComm","2022","","","","","10.1039/D2CE00624C","","","0.71076","MoKα","","0.033","0.0296","","","0.0726","0.0757","","","","","","1.074","","","","has coordinates","276820","2022-07-22","23:35:12",""
"7245180","7.8177","0.0004","25.0982","0.0014","12.3248","0.0007","90","","96.956","0.002","90","","2400.5","0.2","298","","298","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H38 Cl12 Cu3 N8 -","- C38 H38 Cl12 Cu3 N8 -","- C76 H76 Cl24 Cu6 N16 -","2","1","","Hao, Xiujia; Li, Xinyu; Li, Haitao; Zhang, Xin; Liu, Xiaozhi; Guo, Fang","Mechanosynthesis of polymeric and binuclear copper complexes via dehydrochlorination and their application in solvent-free C–S bond cross-coupling","CrystEngComm","2022","","","","","10.1039/D2CE00624C","","","0.71073","MoKα","","0.0395","0.0349","","","0.0739","0.0757","","","","","","1.078","","","","has coordinates","276820","2022-07-22","23:35:12",""
"7245181","11.9919","0.0004","18.7337","0.0006","13.067","0.0004","90","","108.872","0.001","90","","2777.73","0.15","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H70 Cu3 Gd2 N4 O27 -","- C34 H70 Cu3 Gd2 N4 O27 -","- C68 H140 Cu6 Gd4 N8 O54 -","2","0.5","","Qasem, Khalil M. A.; Khan, Shabnam; Fitta, Magdalena; Akhtar, Muhammad Nadeem; AlDamen, Murad A.; Shahid, M.; Saleh, Hatem A. M.; Ahmad, Musheer","A new {Cu3–Gd2} cluster as a two-in-one functional material with unique topology acting as a refrigerant and adsorbent for cationic dye","CrystEngComm","2022","","","","","10.1039/D2CE00795A","","","0.71073","MoKα","","0.0306","0.0246","","","0.0591","0.0633","","","","","","1.0554","","","","has coordinates","276821","2022-07-22","23:35:53",""
"7245182","7.9401","0.0016","5.1377","0.0011","23.485","0.005","90","","94.421","0.016","90","","955.2","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 N4 O2 -","- C24 H20 N4 O2 -","- C48 H40 N8 O4 -","2","0.5","","Rana, Love Karan; Kaur, Prabhjyot; Maris, Thierry; Duong, Adam","An insight into sensitive detection of metal ions using a novel cobalt MOF: single crystal, photoluminescence, and theoretical studies","CrystEngComm","2022","","","","","10.1039/D2CE00385F","","","0.71073","MoKα","","0.1055","0.055","","","0.1202","0.1429","","","","","","1.012","","","","has coordinates","276822","2022-07-22","23:36:59",""
"7245183","9.797","0.0009","9.962","0.0007","11.135","0.0009","100.052","0.006","114.832","0.008","92.202","0.006","963.51","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40.46 H48.91 N4.46 Ni O10 -","- C40.456 H48.912 N4.456 Ni O10 -","- C40.456 H48.912 N4.456 Ni O10 -","1","0.5","","Rana, Love Karan; Kaur, Prabhjyot; Maris, Thierry; Duong, Adam","An insight into sensitive detection of metal ions using a novel cobalt MOF: single crystal, photoluminescence, and theoretical studies","CrystEngComm","2022","","","","","10.1039/D2CE00385F","","","1.54184","CuKα","","0.0644","0.0551","","","0.1564","0.1642","","","","","","1.094","","","","has coordinates,has disorder","276822","2022-07-22","23:37:00",""
"7245184","9.505","0.002","18.124","0.004","18.211","0.004","96.9","0.01","90.088","0.009","97.374","0.011","3088.2","1.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C57 H53 Co3 N7 O17 -","- C57 H53 Co3 N7 O17 -","- C114 H106 Co6 N14 O34 -","2","1","","Rana, Love Karan; Kaur, Prabhjyot; Maris, Thierry; Duong, Adam","An insight into sensitive detection of metal ions using a novel cobalt MOF: single crystal, photoluminescence, and theoretical studies","CrystEngComm","2022","","","","","10.1039/D2CE00385F","","x-ray","1.54178","CuKα","","0.1435","0.0948","","","0.2525","0.2911","","","","","","1.038","","","","has coordinates","276822","2022-07-22","23:37:00",""
"7245185","27.2418","0.0009","26.6132","0.0009","31.8614","0.001","90","","111.736","0.001","90","","21456.9","1.2","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C150 H122 N10 O34 Zn8 -","- C150 H122 N10 O34 Zn8 -","- C600 H488 N40 O136 Zn32 -","4","1","","Rana, Love Karan; Kaur, Prabhjyot; Maris, Thierry; Duong, Adam","An insight into sensitive detection of metal ions using a novel cobalt MOF: single crystal, photoluminescence, and theoretical studies","CrystEngComm","2022","","","","","10.1039/D2CE00385F","","x-ray","1.34139","GaKα","","0.0629","0.0578","","","0.1826","0.188","","","","","","1.034","","","","has coordinates,has disorder","276822","2022-07-22","23:37:00",""
"7245186","5.21734","0.00027","6.6613","0.00024","22.6335","0.0009","90","","90","","90","","786.61","0.06","298","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H4 Br N O2 -","- C8 H4 Br N O2 -","- C32 H16 Br4 N4 O8 -","4","1","","Momenzadeh Abardeh, Zahrasadat; Salimi, Alireza; Oganov, Artem R.","Crystal structure prediction of N-halide phthalimide compounds: Halogen bond synthon as a touchstone","CrystEngComm","2022","","","","","10.1039/D2CE00476C","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","0.08395","","0.98","","","","","","","has coordinates","276823","2022-07-22","23:37:36",""
"7245187","16.9895","0.0007","6.1074","0.0002","12.0498","0.0009","90","","101.833","0.006","90","","1223.74","0.11","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H35 F O7 -","- C28 H35 F O7 -","- C56 H70 F2 O14 -","2","1","","Wong, Si Nga; Low, Kam-Hung; Weng, Jingwen; Chan, Ho Wan; Chow, Shing Fung","Expanding the solid-state landscape of dexamethasone: a specific sandwich structure in facilitating the formation of kinetically stable cocrystals from mechanochemistry","CrystEngComm","2022","","","","","10.1039/D2CE00758D","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","0.09165","2.24889","","","","","","","has coordinates","276824","2022-07-22","23:38:04",""
"7245188","18.9012","0.0007","6.10485","0.00019","22.6364","0.0015","90","","109.25","0.004","90","","2466","0.2","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H35 F O7 -","- C28 H35 F O7 -","- C112 H140 F4 O28 -","4","2","","Wong, Si Nga; Low, Kam-Hung; Weng, Jingwen; Chan, Ho Wan; Chow, Shing Fung","Expanding the solid-state landscape of dexamethasone: a specific sandwich structure in facilitating the formation of kinetically stable cocrystals from mechanochemistry","CrystEngComm","2022","","","","","10.1039/D2CE00758D","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","0.09288","2.45548","","","","","","","has coordinates","276824","2022-07-22","23:38:05",""
"7245214","14.3168","0.0008","18.7687","0.0011","8.9267","0.0005","90","","90","","90","","2398.7","0.2","150","","143","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C27 H20 Cu2 N3 P -","- C27 H20 Cu2 N3 P -","- C108 H80 Cu8 N12 P4 -","4","0.5","","Iwai, Yudai; Nakaya, Manabu; Ohtsu, Hiroyoshi; Le Ouay, Benjamin; Ohtani, Ryo; Ohba, Masaaki","Zero area thermal expansion of honeycomb layers via double distortion relaxation in (PPh4)[Cu2(CN)3]","CrystEngComm","2022","","","","","10.1039/D2CE00878E","","","0.71073","MoKα","","0.0612","0.0378","","","0.092","0.1089","","","","","","1.0967","","","","has coordinates,has disorder","276947","2022-07-26","22:35:41",""
"7245215","14.325","0.0006","19.0152","0.0008","8.917","0.0004","90","","90","","90","","2428.93","0.18","300","","303","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C27 H20 Cu2 N3 P -","- C27 H20 Cu2 N3 P -","- C108 H80 Cu8 N12 P4 -","4","0.5","","Iwai, Yudai; Nakaya, Manabu; Ohtsu, Hiroyoshi; Le Ouay, Benjamin; Ohtani, Ryo; Ohba, Masaaki","Zero area thermal expansion of honeycomb layers via double distortion relaxation in (PPh4)[Cu2(CN)3]","CrystEngComm","2022","","","","","10.1039/D2CE00878E","","","0.71073","MoKα","","0.0791","0.0423","","","0.0947","0.1146","","","","","","1.0671","","","","has coordinates,has disorder","276947","2022-07-26","22:35:49",""
"7245216","14.3252","0.0005","18.935","0.0007","8.9216","0.0003","90","","90","","90","","2419.96","0.15","250","","250","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C27 H20 Cu2 N3 P -","- C27 H20 Cu2 N3 P -","- C108 H80 Cu8 N12 P4 -","4","0.5","","Iwai, Yudai; Nakaya, Manabu; Ohtsu, Hiroyoshi; Le Ouay, Benjamin; Ohtani, Ryo; Ohba, Masaaki","Zero area thermal expansion of honeycomb layers via double distortion relaxation in (PPh4)[Cu2(CN)3]","CrystEngComm","2022","","","","","10.1039/D2CE00878E","","","0.71073","MoKα","","0.0602","0.0379","","","0.0889","0.1027","","","","","","1.0801","","","","has coordinates,has disorder","276947","2022-07-26","22:35:52",""
"7245217","14.3204","0.0009","18.8505","0.0013","8.9253","0.0006","90","","90","","90","","2409.4","0.3","200","","196","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C27 H23 Cu2 N3 P -","- C27 H23 Cu2 N3 P -","- C108 H92 Cu8 N12 P4 -","4","0.5","","Iwai, Yudai; Nakaya, Manabu; Ohtsu, Hiroyoshi; Le Ouay, Benjamin; Ohtani, Ryo; Ohba, Masaaki","Zero area thermal expansion of honeycomb layers via double distortion relaxation in (PPh4)[Cu2(CN)3]","CrystEngComm","2022","","","","","10.1039/D2CE00878E","","","0.71073","MoKα","","0.0695","0.0426","","","0.1067","0.1233","","","","","","1.0581","","","","has coordinates,has disorder","276947","2022-07-26","22:36:03",""
"7245218","14.3334","0.0008","19.0929","0.0011","8.9152","0.0005","90","","90","","90","","2439.8","0.2","350","","357","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C27 H20 Cu2 N3 P -","- C27 H20 Cu2 N3 P -","- C108 H80 Cu8 N12 P4 -","4","0.5","","Iwai, Yudai; Nakaya, Manabu; Ohtsu, Hiroyoshi; Le Ouay, Benjamin; Ohtani, Ryo; Ohba, Masaaki","Zero area thermal expansion of honeycomb layers via double distortion relaxation in (PPh4)[Cu2(CN)3]","CrystEngComm","2022","","","","","10.1039/D2CE00878E","","","0.71073","MoKα","","0.067","0.0396","","","0.0954","0.1147","","","","","","1.085","","","","has coordinates,has disorder","276947","2022-07-26","22:36:05",""
"7245219","14.3364","0.0017","19.171","0.002","8.9148","0.0011","90","","90","","90","","2450.2","0.5","400","","410","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C27 H20 Cu2 N3 P -","- C27 H20 Cu2 N3 P -","- C108 H80 Cu8 N12 P4 -","4","0.5","","Iwai, Yudai; Nakaya, Manabu; Ohtsu, Hiroyoshi; Le Ouay, Benjamin; Ohtani, Ryo; Ohba, Masaaki","Zero area thermal expansion of honeycomb layers via double distortion relaxation in (PPh4)[Cu2(CN)3]","CrystEngComm","2022","","","","","10.1039/D2CE00878E","","","0.71073","MoKα","","0.0616","0.0387","","","0.0962","0.1136","","","","","","1.0949","","","","has coordinates,has disorder","276947","2022-07-26","22:36:08",""
"7245221","6.7753","0.0003","13.9706","0.0005","17.457","0.0006","79.336","0.001","82.547","0.001","76.051","0.0009","1569.68","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H20 Cl7 Ga2 -","- C32 H20 Cl7 Ga2 -","- C64 H40 Cl14 Ga4 -","2","1","","Flynn, Chase; Zhou, Zheng; McCormack, Megan E.; Wei, Zheng; Petrukhina, Marina A.; Kertesz, Miklos","Bonding and uneven charge distribution in infinite pyrene π-stacks","CrystEngComm","2022","","","","","10.1039/D2CE00933A","","","1.54178","CuKα","","0.0544","0.0502","","","0.1521","0.1555","","","","","","1.07","","","","has coordinates,has disorder","276985","2022-07-28","22:34:30",""
"7245222","15.2375","0.001","8.1987","0.0003","16.1855","0.0012","90","","104.826","0.007","90","","1954.7","0.2","293","2","293","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C21 H12 F4 I2 -","- C21 H12 F4 I2 -","- C84 H48 F16 I8 -","4","2","","Azzali, Alessandra; d'Agostino, Simone; Capacci, Mattia; Spinelli, Floriana; Ventura, Barbara; Grepioni, Fabrizia","Assembling photoactive materials from polycyclic aromatic hydrocarbons (PAHs): room temperature phosphorescence and excimer-emission in co-crystals with 1,4-diiodotetrafluorobenzene","CrystEngComm","2022","","","","","10.1039/D2CE00720G","","x-ray","0.71073","MoKα","","0.0674","0.0469","","","0.0914","0.0999","","","","","","1.077","","","","has coordinates","276986","2022-07-28","22:35:00",""
"7245223","5.9997","0.0004","9.7209","0.001","12.2681","0.001","73.604","0.008","89.751","0.006","81.821","0.007","678.94","0.1","300","","300","","","","","","","","","4","P -1","-P 1","2","","A(I2F4)2","","- C26 H10 F8 I4 -","- C26 H10 F8 I4 -","- C26 H10 F8 I4 -","1","0.5","","Azzali, Alessandra; d'Agostino, Simone; Capacci, Mattia; Spinelli, Floriana; Ventura, Barbara; Grepioni, Fabrizia","Assembling photoactive materials from polycyclic aromatic hydrocarbons (PAHs): room temperature phosphorescence and excimer-emission in co-crystals with 1,4-diiodotetrafluorobenzene","CrystEngComm","2022","","","","","10.1039/D2CE00720G","","x-ray","0.71073","MoKα","","0.0387","0.0293","","","0.0595","0.0633","","","","","","1.053","","","","has coordinates","276986","2022-07-28","22:35:01",""
"7245224","8.1105","0.0005","10.3429","0.0005","16.2211","0.0008","97.45","0.004","103.319","0.005","98.14","0.005","1292.05","0.13","300","","300","","","","","","","","","4","P -1","-P 1","2","","I2F4:MA 1:4","","- C66 H48 F4 I2 -","- C66 H48 F4 I2 -","- C66 H48 F4 I2 -","1","0.5","","Azzali, Alessandra; d'Agostino, Simone; Capacci, Mattia; Spinelli, Floriana; Ventura, Barbara; Grepioni, Fabrizia","Assembling photoactive materials from polycyclic aromatic hydrocarbons (PAHs): room temperature phosphorescence and excimer-emission in co-crystals with 1,4-diiodotetrafluorobenzene","CrystEngComm","2022","","","","","10.1039/D2CE00720G","","x-ray","0.71073","MoKα","","0.0727","0.0529","","","0.0955","0.1035","","","","","","1.074","","","","has coordinates","276986","2022-07-28","22:35:01",""
"7245230","10.7456","0.0005","36.5825","0.0016","15.7867","0.0007","90","","98.164","0.001","90","","6142.9","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C55 H43 Cd2 N9 O13 -","- C55 H36 Cd2 N9 O13 -","- C220 H144 Cd8 N36 O52 -","4","1","","Zhang, Xiao-Sa; Liu, Yan; Liu, Yu; Xiao, Lin-Jiu; Cui, Jia-Liang; Xiang, Hong; Luan, Jian; Li, Wen-Ze","A series of bis-pyridyl-bis-amide-modulated metal–organic frameworks: formation, transformation and selectivity for the efficient detection of multiple analytes","CrystEngComm","2022","","","","","10.1039/D2CE00915C","","","0.71073","MoKα","","0.0757","0.058","","","0.147","0.155","","","","","","1.047","","","","has coordinates","277028","2022-08-01","22:35:38",""
"7245231","4.96","0.0005","10.1397","0.0011","11.8715","0.0012","67.798","0.002","81.007","0.002","86.591","0.002","545.99","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H18 Cd N4 O6 -","- C26 H18 Cd N4 O6 -","- C26 H18 Cd N4 O6 -","1","0.5","","Zhang, Xiao-Sa; Liu, Yan; Liu, Yu; Xiao, Lin-Jiu; Cui, Jia-Liang; Xiang, Hong; Luan, Jian; Li, Wen-Ze","A series of bis-pyridyl-bis-amide-modulated metal–organic frameworks: formation, transformation and selectivity for the efficient detection of multiple analytes","CrystEngComm","2022","","","","","10.1039/D2CE00915C","","","0.71073","MoKα","","0.0235","0.0231","","","0.0562","0.0564","","","","","","1.028","","","","has coordinates,has disorder","277028","2022-08-01","22:35:39",""
"7245232","7.9323","0.0017","11.895","0.003","12.694","0.003","97.585","0.004","101.921","0.004","94.309","0.004","1155.2","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 N4 O7 Zn -","- C26 H20 N4 O7 Zn -","- C52 H40 N8 O14 Zn2 -","2","1","","Zhang, Xiao-Sa; Liu, Yan; Liu, Yu; Xiao, Lin-Jiu; Cui, Jia-Liang; Xiang, Hong; Luan, Jian; Li, Wen-Ze","A series of bis-pyridyl-bis-amide-modulated metal–organic frameworks: formation, transformation and selectivity for the efficient detection of multiple analytes","CrystEngComm","2022","","","","","10.1039/D2CE00915C","","","0.71073","MoKα","","0.1142","0.0568","","","0.1141","0.1367","","","","","","1.01","","","","has coordinates","277028","2022-08-01","22:35:39",""
"7245233","17.6671","0.0006","19.4948","0.0006","15.545","0.0005","90","","90","","90","","5354","0.3","296","2","296","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C26 H22 N4 O8 Zn -","- C26 H22 N4 O8 Zn -","- C208 H176 N32 O64 Zn8 -","8","0.5","","Zhang, Xiao-Sa; Liu, Yan; Liu, Yu; Xiao, Lin-Jiu; Cui, Jia-Liang; Xiang, Hong; Luan, Jian; Li, Wen-Ze","A series of bis-pyridyl-bis-amide-modulated metal–organic frameworks: formation, transformation and selectivity for the efficient detection of multiple analytes","CrystEngComm","2022","","","","","10.1039/D2CE00915C","","","0.71073","MoKα","","0.0361","0.0289","","","0.0791","0.0842","","","","","","1.059","","","","has coordinates","277028","2022-08-01","22:35:40",""
"7245234","10.7737","0.0009","14.7826","0.0011","20.3526","0.0016","90.83","0.002","91.007","0.002","109.013","0.002","3063.4","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C65 H49 Cd2 N11 O15 -","- C65 H43.446 Cd2 N11 O15 -","- C130 H86.892 Cd4 N22 O30 -","2","1","","Zhang, Xiao-Sa; Liu, Yan; Liu, Yu; Xiao, Lin-Jiu; Cui, Jia-Liang; Xiang, Hong; Luan, Jian; Li, Wen-Ze","A series of bis-pyridyl-bis-amide-modulated metal–organic frameworks: formation, transformation and selectivity for the efficient detection of multiple analytes","CrystEngComm","2022","","","","","10.1039/D2CE00915C","","","0.71073","MoKα","","0.0953","0.0849","","","0.2153","0.2209","","","","","","1.074","","","","has coordinates,has disorder","277028","2022-08-01","22:35:40",""
"7245235","10.7796","0.0007","36.563","0.002","15.8187","0.001","90","","97.978","0.001","90","","6174.4","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C55 H43 Cu2 N9 O13 -","- C55 H40 Cu2 N9 O13 -","- C220 H160 Cu8 N36 O52 -","4","1","","Zhang, Xiao-Sa; Liu, Yan; Liu, Yu; Xiao, Lin-Jiu; Cui, Jia-Liang; Xiang, Hong; Luan, Jian; Li, Wen-Ze","A series of bis-pyridyl-bis-amide-modulated metal–organic frameworks: formation, transformation and selectivity for the efficient detection of multiple analytes","CrystEngComm","2022","","","","","10.1039/D2CE00915C","","","0.71073","MoKα","","0.1104","0.09","","","0.2683","0.2844","","","","","","1.043","","","","has coordinates,has disorder","277028","2022-08-01","22:35:40",""
"7245236","8.0245","0.0005","8.4915","0.0005","14.9566","0.0007","87.548","0.005","74.813","0.005","65.13","0.006","889.69","0.1","100.01","0.13","100.01","0.13","","","","","","","","4","P -1","-P 1","2","roseolumiflavin 2,4-diaminopyrimidine","8-(dimethylamino)-7,10-dimethylbenzo[g]pteridine-2,4(3H,10H)-dione 2,4-diaminopyrimidine","","- C18 H21 N9 O2 -","- C18 H21 N9 O2 -","- C36 H42 N18 O4 -","2","1","","Haj Hassani Sohi, Takin; Maass, Felix Lasse Timon; Czekelius, Constantin; Suta, Markus; Vasylyeva, Vera","Co-crystallization of organic chromophore roseolumiflavin and effect on its optical characteristics","CrystEngComm","2022","","","","","10.1039/D2CE00589A","","x-ray","1.54184","CuKα","","0.0942","0.0557","","","0.1419","0.1678","","","","","","1.006","","","","has coordinates","277029","2022-08-01","22:37:05",""
"7245237","12.7469","0.001","7.0326","0.0008","14.3336","0.0013","90","","99.135","0.005","90","","1268.6","0.2","140","2","140","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","roseolumiflavin","8-(dimethylamino)-7,10-dimethylbenzo[g]pteridine-2,4(3H,10H)-dione","","- C14 H15 N5 O2 -","- C14 H15 N5 O2 -","- C56 H60 N20 O8 -","4","1","","Haj Hassani Sohi, Takin; Maass, Felix Lasse Timon; Czekelius, Constantin; Suta, Markus; Vasylyeva, Vera","Co-crystallization of organic chromophore roseolumiflavin and effect on its optical characteristics","CrystEngComm","2022","","","","","10.1039/D2CE00589A","","","0.71073","MoKα","","0.0729","0.0493","","","0.1259","0.1399","","","","","","1.007","","","","has coordinates","277029","2022-08-01","22:37:16",""
"7245238","7.7683","0.0003","12.2451","0.0005","14.6375","0.0005","108.28","0.004","91.09","0.003","96.577","0.004","1311.17","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","roseolumiflavin 1,4-diiodotetrafluorobenzene","8-(dimethylamino)-7,10-dimethylbenzo[g]pteridine-2,4(3H,10H)-dione 1,4-diiodotetrafluorobenzene","","- C23 H15 F6 I3 N5 O2 -","- C23 H15 F6 I3 N5 O2 -","- C46 H30 F12 I6 N10 O4 -","2","1","","Haj Hassani Sohi, Takin; Maass, Felix Lasse Timon; Czekelius, Constantin; Suta, Markus; Vasylyeva, Vera","Co-crystallization of organic chromophore roseolumiflavin and effect on its optical characteristics","CrystEngComm","2022","","","","","10.1039/D2CE00589A","","x-ray","1.54184","CuKα","","0.0375","0.0342","","","0.0926","0.0941","","","","","","1.112","","","","has coordinates","277029","2022-08-01","22:37:16",""
"7245239","6.9603","0.0004","18.1475","0.0007","28.0356","0.0012","90","","90","","90","","3541.2","0.3","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","roseolumiflavin acetylenedicarboxylic acid","8-(dimethylamino)-7,10-dimethylbenzo[g]pteridine-2,4(3H,10H)-dione but-2-ynedioic acid","","- C18 H17 N5 O6 -","- C18 H17 N5 O6 -","- C144 H136 N40 O48 -","8","1","","Haj Hassani Sohi, Takin; Maass, Felix Lasse Timon; Czekelius, Constantin; Suta, Markus; Vasylyeva, Vera","Co-crystallization of organic chromophore roseolumiflavin and effect on its optical characteristics","CrystEngComm","2022","","","","","10.1039/D2CE00589A","","x-ray","1.54184","CuKα","","0.1082","0.0617","","","0.1391","0.1645","","","","","","0.996","","","","has coordinates","277029","2022-08-01","22:37:16",""
"7245240","22.737","","22.737","","9.143","","90","","90","","90","","4726.67","","77","","77","","","","","","","","","5","P 43","P 4cw","78","","Argyrin-D","","- C168 H184 N40 O32 S4 -","- C42 H48 N10 O8 S -","- C168 H192 N40 O32 S4 -","4","1","","Gorelik, Tatiana E.; Tehrani, Kamal; Gruene, Tim; Monecke, Thomas; Niessing, Dierk; Kaiser, Ute; Blankenfeldt, Wulf; Müller, Rolf","Crystal structure of natural product argyrin-D determined by 3D electron diffraction","CrystEngComm","2022","","","","","10.1039/D2CE00707J","","","0.0251","electrons","","0.2232","0.178","","","0.4023","0.4327","","","","","","1.296","","","","has coordinates","277045","2022-08-02","22:36:04",""
"7245241","24.0297","0.0014","18.1938","0.0011","19.0238","0.0011","90","","97.312","0.003","90","","8249.4","0.8","106.73","","106.73","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C58 H122 Nb6 O34 -","- C58 H122 Nb6 O34 -","- C232 H488 Nb24 O136 -","4","0.5","","Andriotou, Despoina; Duval, Sylvain; Trivelli, Xavier; Volkringer, Christophe; Loiseau, Thierry","Molecular niobium(V) complexes with mononuclear {Nb1} and dinuclear oxo species {Nb2O} connected through aryl di- or tetra-carboxylate linker","CrystEngComm","2022","","","","","10.1039/D2CE00828A","","","0.71073","MoKα","","0.075","0.058","","","0.1379","0.1521","","","","","","1.05","","","","has coordinates,has disorder","277046","2022-08-02","22:36:54",""
"7245242","8.0483","0.0009","18.5558","0.0019","18.624","0.002","68.271","0.004","81.253","0.005","84.084","0.005","2550.4","0.5","100.01","","100.01","","","","","","","","","5","P -1","-P 1","2","","","","- C72 H146 N2 Nb8 O40 -","- C72 H146 N2 Nb8 O40 -","- C72 H146 N2 Nb8 O40 -","1","0.5","","Andriotou, Despoina; Duval, Sylvain; Trivelli, Xavier; Volkringer, Christophe; Loiseau, Thierry","Molecular niobium(V) complexes with mononuclear {Nb1} and dinuclear oxo species {Nb2O} connected through aryl di- or tetra-carboxylate linker","CrystEngComm","2022","","","","","10.1039/D2CE00828A","","","0.71073","MoKα","","0.1614","0.0675","","","0.1174","0.1442","","","","","","1.011","","","","has coordinates,has disorder","277046","2022-08-02","22:36:54",""
"7245243","15.3902","0.0012","20.0542","0.0014","17.528","0.0013","90","","90.114","0.003","90","","5409.8","0.7","100.01","","100.01","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H78 N2 Nb4 O20 -","- C42 H78 N2 Nb4 O20 -","- C168 H312 N8 Nb16 O80 -","4","1","","Andriotou, Despoina; Duval, Sylvain; Trivelli, Xavier; Volkringer, Christophe; Loiseau, Thierry","Molecular niobium(V) complexes with mononuclear {Nb1} and dinuclear oxo species {Nb2O} connected through aryl di- or tetra-carboxylate linker","CrystEngComm","2022","","","","","10.1039/D2CE00828A","","","0.71073","MoKα","","0.0364","0.0313","","","0.0736","0.0764","","","","","","1.019","","","","has coordinates,has disorder","277046","2022-08-02","22:36:54",""
"7245245","14.9249","0.0006","11.7152","0.0004","19.1338","0.0007","90","","104.921","0.004","90","","3232.7","0.2","293","2","293","1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C21 H18 O2 -","- C21 H18 O2 -","- C168 H144 O16 -","8","1","","Insan, Sandeep; Sudheendranath, Athul; Venugoplan, Paloth; Kumar, Anil; Thomas, Sajesh P.","Conformational preferences in a series of α-hydroxy-ketone derivatives: Interplay of conformational energies and lattice cohesive energies","CrystEngComm","2022","","","","","10.1039/D2CE00700B","","","0.71073","MoKα","","0.0745","0.0547","","","0.1856","0.2481","","","","","","1.112","","","","has coordinates","277056","2022-08-03","22:29:31",""
"7245246","6.0013","0.0002","16.6234","0.0006","8.3924","0.0003","90","","91.974","0.003","90","","836.75","0.05","293","2","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H18 O3 -","- C21 H18 O3 -","- C42 H36 O6 -","2","1","","Insan, Sandeep; Sudheendranath, Athul; Venugoplan, Paloth; Kumar, Anil; Thomas, Sajesh P.","Conformational preferences in a series of α-hydroxy-ketone derivatives: Interplay of conformational energies and lattice cohesive energies","CrystEngComm","2022","","","","","10.1039/D2CE00700B","","","0.71073","MoKα","","0.0442","0.0398","","","0.0979","0.1014","","","","","","0.989","","","","has coordinates","277056","2022-08-03","22:29:32",""
"7245247","8.6118","0.0003","16.6368","0.0008","12.4195","0.0006","90","","100.26","0.004","90","","1750.92","0.14","293","2","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 O2 -","- C24 H18 O2 -","- C96 H72 O8 -","4","1","","Insan, Sandeep; Sudheendranath, Athul; Venugoplan, Paloth; Kumar, Anil; Thomas, Sajesh P.","Conformational preferences in a series of α-hydroxy-ketone derivatives: Interplay of conformational energies and lattice cohesive energies","CrystEngComm","2022","","","","","10.1039/D2CE00700B","","","0.71073","MoKα","","0.0944","0.0747","","","0.2048","0.2336","","","","","","1.081","","","","has coordinates","277056","2022-08-03","22:29:32",""
"7245248","9.042","0.0004","18.3274","0.0005","11.5796","0.0004","90","","110.56","0.004","90","","1796.7","0.12","293","2","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 O2 -","- C24 H18 O2 -","- C96 H72 O8 -","4","1","","Insan, Sandeep; Sudheendranath, Athul; Venugoplan, Paloth; Kumar, Anil; Thomas, Sajesh P.","Conformational preferences in a series of α-hydroxy-ketone derivatives: Interplay of conformational energies and lattice cohesive energies","CrystEngComm","2022","","","","","10.1039/D2CE00700B","","","0.71073","MoKα","","0.0906","0.0589","","","0.1585","0.1759","","","","","","1.126","","","","has coordinates","277056","2022-08-03","22:29:32",""
"7245249","8.3589","0.0003","10.1168","0.0003","21.3108","0.0007","90","","99.806","0.003","90","","1775.83","0.1","298","2","298.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 O4 -","- C22 H20 O4 -","- C88 H80 O16 -","4","1","","Insan, Sandeep; Sudheendranath, Athul; Venugoplan, Paloth; Kumar, Anil; Thomas, Sajesh P.","Conformational preferences in a series of α-hydroxy-ketone derivatives: Interplay of conformational energies and lattice cohesive energies","CrystEngComm","2022","","","","","10.1039/D2CE00700B","","","0.71073","MoKα","","0.0657","0.0464","","","0.1218","0.1318","","","","","","1.104","","","","has coordinates","277056","2022-08-03","22:29:32",""
"7245250","12.1162","0.0006","8.665","0.0005","15.2466","0.0008","90","","94.663","0.004","90","","1595.39","0.15","100","1","100","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 O3 -","- C21 H18 O3 -","- C84 H72 O12 -","4","1","","Insan, Sandeep; Sudheendranath, Athul; Venugoplan, Paloth; Kumar, Anil; Thomas, Sajesh P.","Conformational preferences in a series of α-hydroxy-ketone derivatives: Interplay of conformational energies and lattice cohesive energies","CrystEngComm","2022","","","","","10.1039/D2CE00700B","","","0.71073","MoKα","","0.0653","0.0533","","","0.1293","0.1352","","","","","","1.069","","","","has coordinates","277056","2022-08-03","22:29:32",""
"7245251","15.9848","0.001","13.5213","0.0009","19.9924","0.0014","90","","97.5038","0.0018","90","","4284.1","0.5","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H29 Eu2 N3 O19 -","- C39 H27 Eu2 N3 O18 -","- C156 H108 Eu8 N12 O72 -","4","1","","Wei, Wenwen; Zhang, Xue; Lu, Liping; Feng, Sisi","Novel 2D Isomorphic Lanthanide Complexes Based on A Bifunctional 5-(pyridin-3-yloxy)isophthalic Acid: Synthesis, Structure, Fluorescence and Magnetic Properties","CrystEngComm","2022","","","","","10.1039/D2CE00626J","","","0.71073","MoKα","","0.0871","0.0461","","","0.0714","0.0804","","","","","","1.016","","","","has coordinates","277057","2022-08-03","22:31:22",""
"7245252","16.0024","0.001","13.5248","0.0008","19.9626","0.0012","90","","97.45","0.002","90","","4284","0.5","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H29 N3 O19 Tb2 -","- C39 H27 N3 O18 Tb2 -","- C156 H108 N12 O72 Tb8 -","4","1","","Wei, Wenwen; Zhang, Xue; Lu, Liping; Feng, Sisi","Novel 2D Isomorphic Lanthanide Complexes Based on A Bifunctional 5-(pyridin-3-yloxy)isophthalic Acid: Synthesis, Structure, Fluorescence and Magnetic Properties","CrystEngComm","2022","","","","","10.1039/D2CE00626J","","","0.71073","MoKα","","0.0402","0.0277","","","0.0603","0.0653","","","","","","1.008","","","","has coordinates","277057","2022-08-03","22:31:25",""
"7245253","15.972","0.001","13.5069","0.0008","19.938","0.0012","90","","97.696","0.002","90","","4262.5","0.4","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H29 Gd2 N3 O19 -","- C39 H27 Gd2 N3 O18 -","- C156 H108 Gd8 N12 O72 -","4","1","","Wei, Wenwen; Zhang, Xue; Lu, Liping; Feng, Sisi","Novel 2D Isomorphic Lanthanide Complexes Based on A Bifunctional 5-(pyridin-3-yloxy)isophthalic Acid: Synthesis, Structure, Fluorescence and Magnetic Properties","CrystEngComm","2022","","","","","10.1039/D2CE00626J","","","0.71073","MoKα","","0.0843","0.0442","","","0.0668","0.0755","","","","","","1.018","","","","has coordinates","277057","2022-08-03","22:31:27",""
"7245254","16.0071","0.0009","13.5039","0.0008","19.8981","0.0012","90","","97.694","0.001","90","","4262.4","0.4","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H29 Ho2 N3 O19 -","- C39 H27 Ho2 N3 O18 -","- C156 H108 Ho8 N12 O72 -","4","1","","Wei, Wenwen; Zhang, Xue; Lu, Liping; Feng, Sisi","Novel 2D Isomorphic Lanthanide Complexes Based on A Bifunctional 5-(pyridin-3-yloxy)isophthalic Acid: Synthesis, Structure, Fluorescence and Magnetic Properties","CrystEngComm","2022","","","","","10.1039/D2CE00626J","","","0.71073","MoKα","","0.0453","0.0298","","","0.0561","0.0607","","","","","","0.994","","","","has coordinates","277057","2022-08-03","22:31:37",""
"7245255","15.9959","0.001","13.5136","0.0008","19.9109","0.0012","90","","97.597","0.002","90","","4266.2","0.4","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H29 Dy2 N3 O19 -","- C39 H27 Dy2 N3 O18 -","- C156 H108 Dy8 N12 O72 -","4","1","","Wei, Wenwen; Zhang, Xue; Lu, Liping; Feng, Sisi","Novel 2D Isomorphic Lanthanide Complexes Based on A Bifunctional 5-(pyridin-3-yloxy)isophthalic Acid: Synthesis, Structure, Fluorescence and Magnetic Properties","CrystEngComm","2022","","","","","10.1039/D2CE00626J","","","0.71073","MoKα","","0.0455","0.0323","","","0.0688","0.0734","","","","","","1.011","","","","has coordinates","277057","2022-08-03","22:31:38",""
"7245257","3.7587","0.0008","11.009","0.002","19.568","0.004","90","","90.97","0.03","90","","809.6","0.3","173","2","173","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 N2 -","- C24 H16 N2 -","- C48 H32 N4 -","2","0.5","","Bolla, Geetha; Guo, Junfeng; Zhao, Huijuan; Lv, Shaokai; Liu, Jie; Li, Yang; Zhen, Yonggang; Liao, Qing; Wang, Xinran; Fu, Hongbing; Dong, Huanli; Wang, Zongrui; Wang, Zhaohui; Hu, Wenping","Pyridyl substitution at the 2,6-positions of anthracene toward crystal polymorphs with distinct optical characteristics","CrystEngComm","2022","","","","","10.1039/D2CE00899H","","","0.71073","MoKα","","0.0469","0.0453","","","0.1036","0.1047","","","","","","1.107","","","","has coordinates","277073","2022-08-04","22:32:03",""
"7245258","13.0924","0.0002","12.3143","0.0002","14.7809","0.0002","90","","94.866","0.001","90","","2374.44","0.06","123","","123","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H28 N4 O2 -","- C30 H28 N4 O2 -","- C120 H112 N16 O8 -","4","0.5","","Ahsan, Mollah Rohan; Mukherjee, Arijit","Ternary and quaternary cocrystals of 2,7-dihydroxynaphthalene: systematic design with a large synthon module","CrystEngComm","2022","","","","","10.1039/D2CE00735E","","x-ray","1.54184","CuKα","","0.0401","0.0386","","","0.1044","0.1054","","","","","","1.089","","","","has coordinates","277074","2022-08-04","22:34:00",""
"7245259","21.6173","0.0004","9.16","0.0001","22.6182","0.0003","90","","115.863","0.002","90","","4030.14","0.12","123","2","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C49 H49 N5 O4 -","- C49 H49 N5 O4 -","- C196 H196 N20 O16 -","4","1","","Ahsan, Mollah Rohan; Mukherjee, Arijit","Ternary and quaternary cocrystals of 2,7-dihydroxynaphthalene: systematic design with a large synthon module","CrystEngComm","2022","","","","","10.1039/D2CE00735E","","x-ray","1.54184","CuKα","","0.0664","0.0602","","","0.1599","0.1645","","","","","","1.069","","","","has coordinates","277074","2022-08-04","22:34:00",""
"7245260","13.3133","0.0002","12.1407","0.0001","21.2595","0.0003","90","","106.205","0.001","90","","3299.71","0.08","123","","123","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H19 N2 O -","- C22 H19 N2 O -","- C176 H152 N16 O8 -","8","1","","Ahsan, Mollah Rohan; Mukherjee, Arijit","Ternary and quaternary cocrystals of 2,7-dihydroxynaphthalene: systematic design with a large synthon module","CrystEngComm","2022","","","","","10.1039/D2CE00735E","","x-ray","1.54184","CuKα","","0.0375","0.0364","","","0.0972","0.0985","","","","","","1.065","","","","has coordinates","277074","2022-08-04","22:34:00",""
"7245261","9.1627","0.0001","21.5531","0.0003","29.7885","0.0004","90","","92.713","0.001","90","","5876.18","0.13","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H37 N3 O4 -","- C35 H37 N3 O4 -","- C280 H296 N24 O32 -","8","2","","Ahsan, Mollah Rohan; Mukherjee, Arijit","Ternary and quaternary cocrystals of 2,7-dihydroxynaphthalene: systematic design with a large synthon module","CrystEngComm","2022","","","","","10.1039/D2CE00735E","","x-ray","1.54184","CuKα","","0.0572","0.0484","","","0.1339","0.1407","","","","","","1.047","","","","has coordinates","277074","2022-08-04","22:34:00",""
"7245262","9.1302","0.0002","13.9867","0.0003","16.3192","0.0004","92.098","0.002","98.572","0.002","96.26","0.002","2045.45","0.08","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C48 H48 N6 O4 -","- C48 H48 N6 O4 -","- C96 H96 N12 O8 -","2","1","","Ahsan, Mollah Rohan; Mukherjee, Arijit","Ternary and quaternary cocrystals of 2,7-dihydroxynaphthalene: systematic design with a large synthon module","CrystEngComm","2022","","","","","10.1039/D2CE00735E","","x-ray","1.54184","CuKα","","0.0516","0.0489","","","0.1398","0.1422","","","","","","1.095","","","","has coordinates","277074","2022-08-04","22:34:01",""
"7245263","9.092","0.0001","12.2035","0.0002","17.7698","0.0003","91.628","0.001","98.436","0.001","103.488","0.001","1892.49","0.05","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C44 H46 N6 O4 -","- C44 H46 N6 O4 -","- C88 H92 N12 O8 -","2","1","","Ahsan, Mollah Rohan; Mukherjee, Arijit","Ternary and quaternary cocrystals of 2,7-dihydroxynaphthalene: systematic design with a large synthon module","CrystEngComm","2022","","","","","10.1039/D2CE00735E","","x-ray","1.54184","CuKα","","0.0507","0.0472","","","0.1326","0.1358","","","","","","1.083","","","","has coordinates","277074","2022-08-04","22:34:01",""
"7245264","9.2111","0.0003","11.8322","0.0004","14.3846","0.0004","91.725","0.002","104.91","0.002","102.633","0.002","1472.07","0.08","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C78 H68 N6 O4 -","- C78 H68 N6 O4 -","- C78 H68 N6 O4 -","1","0.5","","Ahsan, Mollah Rohan; Mukherjee, Arijit","Ternary and quaternary cocrystals of 2,7-dihydroxynaphthalene: systematic design with a large synthon module","CrystEngComm","2022","","","","","10.1039/D2CE00735E","","x-ray","1.54184","CuKα","","0.0693","0.0627","","","0.1888","0.197","","","","","","1.061","","","","has coordinates","277074","2022-08-04","22:34:01",""
"7245265","14.2245","0.0002","8.7296","0.0002","20.7083","0.0004","90","","100.815","0.002","90","","2525.76","0.09","123","","123","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H30 N2 O2 -","- C32 H30 N2 O2 -","- C128 H120 N8 O8 -","4","1","","Ahsan, Mollah Rohan; Mukherjee, Arijit","Ternary and quaternary cocrystals of 2,7-dihydroxynaphthalene: systematic design with a large synthon module","CrystEngComm","2022","","","","","10.1039/D2CE00735E","","x-ray","1.54184","CuKα","","0.0724","0.0578","","","0.1563","0.1678","","","","","","1.055","","","","has coordinates","277074","2022-08-04","22:34:01",""
"7245266","18.669","0.0001","8.6554","0.0001","24.232","0.0002","90","","106.744","0.001","90","","3749.58","0.06","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C88 H94 N8 O10 -","- C88 H94 N8 O10 -","- C176 H188 N16 O20 -","2","0.5","","Ahsan, Mollah Rohan; Mukherjee, Arijit","Ternary and quaternary cocrystals of 2,7-dihydroxynaphthalene: systematic design with a large synthon module","CrystEngComm","2022","","","","","10.1039/D2CE00735E","","x-ray","1.54184","CuKα","","0.0401","0.038","","","0.1007","0.1025","","","","","","1.041","","","","has coordinates","277074","2022-08-04","22:34:01",""
"7245267","12.1268","0.0002","13.029","0.0002","18.1703","0.0002","84.497","0.001","76.103","0.001","89.967","0.001","2773.28","0.07","123","","123","","","","","","","","","4","P 1","P 1","1","","","","- C68 H68 N8 O4 -","- C68 H68 N8 O4 -","- C136 H136 N16 O8 -","2","2","","Ahsan, Mollah Rohan; Mukherjee, Arijit","Ternary and quaternary cocrystals of 2,7-dihydroxynaphthalene: systematic design with a large synthon module","CrystEngComm","2022","","","","","10.1039/D2CE00735E","","","1.54184","CuKα","","0.0525","0.0485","","","0.1436","0.1479","","","","","","1.092","","","","has coordinates","277074","2022-08-04","22:34:01",""
"7245270","6.9489","0.0007","9.7256","0.001","23.026","0.002","90","","90","","90","","1556.1","0.3","90","","90","","","","","","","","","4","P 2 2 21","P 2c 2","17","","(S)-Nicotinium Orotate Hemihydrate","","- C30 H38 N8 O9 -","- C30 H38 N8 O9 -","- C60 H76 N16 O18 -","2","0.5","","Angevine, Devin J.; Camacho, Kristine Joy; Rzayev, Javid; Benedict, Jason B.","Transforming liquid nicotine into a stable solid through crystallization with orotic acid","CrystEngComm","2022","","","","","10.1039/D2CE00764A","","","0.71073","MoKα","","0.053","0.0497","","","0.1075","0.1088","","","","","","1.157","","","","has coordinates","277084","2022-08-05","22:29:17",""
"7245272","20.773","0.004","12.132","0.002","22.87","0.005","90","","114.95","0.03","90","","5226","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H61 Co N5 O17 -","- C56 H61 Co N5 O17 -","- C224 H244 Co4 N20 O68 -","4","1","","Kim, Gyeongwoo; Kim, Gyeongmin; Kim, Dongwon; Jung, Ok-Sang","Subtle metal(II) effects of 2D coordination networks on SCSC guest exchange","CrystEngComm","2022","","","","","10.1039/D2CE00837H","","","0.7","synchrotron","","0.0883","0.0734","","","0.2278","0.2406","","","","","","1.073","","","","has coordinates,has disorder","277149","2022-08-06","22:27:41",""
"7245273","20.469","0.002","12.0889","0.0013","22.945","0.002","90","","114.455","0.001","90","","5168.3","0.9","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H61 Cu N5 O17 -","- C56 H61 Cu N5 O17 -","- C224 H244 Cu4 N20 O68 -","4","1","","Kim, Gyeongwoo; Kim, Gyeongmin; Kim, Dongwon; Jung, Ok-Sang","Subtle metal(II) effects of 2D coordination networks on SCSC guest exchange","CrystEngComm","2022","","","","","10.1039/D2CE00837H","","","0.71073","MoKα","","0.0905","0.0671","","","0.1834","0.2047","","","","","","1.073","","","","has coordinates,has disorder","277149","2022-08-06","22:27:48",""
"7245274","20.963","0.004","12.279","0.003","22.875","0.005","90","","115.26","0.03","90","","5325","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H53 N5 O20 Zn -","- C52 H53 N5 O20 Zn -","- C208 H212 N20 O80 Zn4 -","4","1","","Kim, Gyeongwoo; Kim, Gyeongmin; Kim, Dongwon; Jung, Ok-Sang","Subtle metal(II) effects of 2D coordination networks on SCSC guest exchange","CrystEngComm","2022","","","","","10.1039/D2CE00837H","","","0.7","synchrotron","","0.1566","0.0917","","","0.2832","0.3215","","","","","","0.963","","","","has coordinates,has disorder","277149","2022-08-06","22:27:49",""
"7245275","20.952","0.004","12.383","0.003","23.012","0.005","90","","115.3","0.03","90","","5398","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H57 Co N5 O21 -","- C54 H57 Co N5 O21 -","- C216 H228 Co4 N20 O84 -","4","1","","Kim, Gyeongwoo; Kim, Gyeongmin; Kim, Dongwon; Jung, Ok-Sang","Subtle metal(II) effects of 2D coordination networks on SCSC guest exchange","CrystEngComm","2022","","","","","10.1039/D2CE00837H","","","0.76","synchrotron","","0.1446","0.1024","","","0.3113","0.3424","","","","","","1.16","","","","has coordinates,has disorder","277149","2022-08-06","22:27:50",""
"7245276","20.698","0.004","12.339","0.003","22.916","0.005","90","","114.74","0.03","90","","5315","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H53 Cu N5 O20 -","- C52 H53 Cu N5 O20 -","- C208 H212 Cu4 N20 O80 -","4","1","","Kim, Gyeongwoo; Kim, Gyeongmin; Kim, Dongwon; Jung, Ok-Sang","Subtle metal(II) effects of 2D coordination networks on SCSC guest exchange","CrystEngComm","2022","","","","","10.1039/D2CE00837H","","","0.76","synchrotron","","0.1466","0.0789","","","0.2355","0.2694","","","","","","0.921","","","","has coordinates,has disorder","277149","2022-08-06","22:27:50",""
"7245277","20.708","0.004","12.244","0.002","22.873","0.004","90","","115.467","0.002","90","","5235.9","1.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H53 N5 Ni O20 -","- C52 H53 N5 Ni O20 -","- C208 H212 N20 Ni4 O80 -","4","1","","Kim, Gyeongwoo; Kim, Gyeongmin; Kim, Dongwon; Jung, Ok-Sang","Subtle metal(II) effects of 2D coordination networks on SCSC guest exchange","CrystEngComm","2022","","","","","10.1039/D2CE00837H","","","0.71073","MoKα","","0.1786","0.0926","","","0.2338","0.3093","","","","","","1.025","","","","has coordinates,has disorder","277149","2022-08-06","22:27:50",""
"7245279","8.0179","0.0003","11.4272","0.0004","14.0709","0.0004","106.52","0.0019","99.721","0.002","90.059","0.002","1216.6","0.07","196","2","196","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H17 F6 N2 O6 Zn -","- C24 H15 F6 N2 O6 Zn -","- C48 H30 F12 N4 O12 Zn2 -","2","1","","Lakshmanan, Venkatesan; Lee, Chia-Yi; Tseng, Yu-Wen; Liu, Yu-Hsiang; Lin, Chia-Her; Chen, Jhy-Der","Zn(II) and Co(II) coordination polymers based on semi-rigid bis-pyridyl-bis-amide and angular dicarboxylate ligands: synthesis, structures and properties","CrystEngComm","2022","","","","","10.1039/D2CE00826B","","","0.71073","MoKα","","0.1171","0.055","","","0.1145","0.1372","","","","","","1.033","","","","has coordinates,has disorder","277175","2022-08-09","22:26:40",""
"7245280","10.2175","0.0007","10.8608","0.0008","12.9436","0.0009","100.942","0.004","93.868","0.003","93.873","0.004","1402.29","0.17","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H26 Co N4 O9 -","- C28 H24 Co N4 O9 -","- C56 H48 Co2 N8 O18 -","2","1","","Lakshmanan, Venkatesan; Lee, Chia-Yi; Tseng, Yu-Wen; Liu, Yu-Hsiang; Lin, Chia-Her; Chen, Jhy-Der","Zn(II) and Co(II) coordination polymers based on semi-rigid bis-pyridyl-bis-amide and angular dicarboxylate ligands: synthesis, structures and properties","CrystEngComm","2022","","","","","10.1039/D2CE00826B","","","0.71073","MoKα","","0.04","0.0326","","","0.0881","0.0922","","","","","","1.051","","","","has coordinates,has disorder","277175","2022-08-09","22:26:42",""
"7245281","29.4273","0.0018","7.7225","0.0005","23.3183","0.0015","90","","102.639","0.002","90","","5170.7","0.6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24.25 H16 Co F6 N2 O5.25 -","- C24.25 H16 Co F6 N2 O5.25 -","- C194 H128 Co8 F48 N16 O42 -","8","1","","Lakshmanan, Venkatesan; Lee, Chia-Yi; Tseng, Yu-Wen; Liu, Yu-Hsiang; Lin, Chia-Her; Chen, Jhy-Der","Zn(II) and Co(II) coordination polymers based on semi-rigid bis-pyridyl-bis-amide and angular dicarboxylate ligands: synthesis, structures and properties","CrystEngComm","2022","","","","","10.1039/D2CE00826B","","","0.71073","MoKα","","0.1036","0.0535","","","0.0954","0.1104","","","","","","1.001","","","","has coordinates,has disorder","277175","2022-08-09","22:26:42",""
"7245282","10.4975","0.0002","13.756","0.0002","19.0781","0.0003","90","","92.3309","0.001","90","","2752.67","0.08","194","2","194","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H26 N4 O8 Zn -","- C29 H26 N4 O8 Zn -","- C116 H104 N16 O32 Zn4 -","4","1","","Lakshmanan, Venkatesan; Lee, Chia-Yi; Tseng, Yu-Wen; Liu, Yu-Hsiang; Lin, Chia-Her; Chen, Jhy-Der","Zn(II) and Co(II) coordination polymers based on semi-rigid bis-pyridyl-bis-amide and angular dicarboxylate ligands: synthesis, structures and properties","CrystEngComm","2022","","","","","10.1039/D2CE00826B","","","0.71073","MoKα","","0.064","0.0435","","","0.1044","0.1135","","","","","","1.032","","","","has coordinates","277175","2022-08-09","22:26:43",""
"7245283","7.8859","0.0002","11.7193","0.0002","13.9414","0.0003","106.699","0.0012","99.4523","0.0012","90.4589","0.0008","1215.25","0.05","191","2","191","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H15 Co F6 N2 O5 -","- C24 H15 Co F6 N2 O5 -","- C48 H30 Co2 F12 N4 O10 -","2","1","","Lakshmanan, Venkatesan; Lee, Chia-Yi; Tseng, Yu-Wen; Liu, Yu-Hsiang; Lin, Chia-Her; Chen, Jhy-Der","Zn(II) and Co(II) coordination polymers based on semi-rigid bis-pyridyl-bis-amide and angular dicarboxylate ligands: synthesis, structures and properties","CrystEngComm","2022","","","","","10.1039/D2CE00826B","","","0.71073","MoKα","","0.0346","0.0277","","","0.0645","0.0678","","","","","","1.059","","","","has coordinates","277175","2022-08-09","22:26:43",""
"7245284","13.6794","0.0009","14.2186","0.0014","19.2169","0.0009","103.136","0.006","103.532","0.004","92.497","0.005","3520.4","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H62 Co2 F12 N8 O21 -","- C62 H62 Co2 F12 N8 O21 -","- C124 H124 Co4 F24 N16 O42 -","2","1","","Lakshmanan, Venkatesan; Lee, Chia-Yi; Tseng, Yu-Wen; Liu, Yu-Hsiang; Lin, Chia-Her; Chen, Jhy-Der","Zn(II) and Co(II) coordination polymers based on semi-rigid bis-pyridyl-bis-amide and angular dicarboxylate ligands: synthesis, structures and properties","CrystEngComm","2022","","","","","10.1039/D2CE00826B","","","0.71073","MoKα","","0.0673","0.0478","","","0.1268","0.138","","","","","","1.034","","","","has coordinates,has disorder","277175","2022-08-09","22:26:43",""
"7245285","20.26","0.003","20.26","0.003","10.904","0.002","90","","90","","120","","3876.1","1.1","293.1","","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C36 H26 Co6 N24 O19 -","- C36 H24 Co6 N24 O19 -","- C108 H72 Co18 N72 O57 -","3","0.166667","","Li, Shuai; Han, Song-De; Zhao, Jiong-Peng; Liu, Fu-Chen","Quest for extended coordination networks from highly connected azido-bridged clusters","CrystEngComm","2022","","","","","10.1039/D2CE00854H","","","0.71073","MoKα","","0.0985","0.074","","","0.1484","0.1588","","","","","","1.227","","","","has coordinates","277176","2022-08-09","22:28:03",""
"7245286","13.702","0.003","13.702","0.003","11.139","0.002","90","","90","","90","","2091.3","0.7","293","2","293","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C24 H27 Co4 N19 O17 -","- C24 H19 Co4 N19 O17 -","- C48 H38 Co8 N38 O34 -","2","0.25","","Li, Shuai; Han, Song-De; Zhao, Jiong-Peng; Liu, Fu-Chen","Quest for extended coordination networks from highly connected azido-bridged clusters","CrystEngComm","2022","","","","","10.1039/D2CE00854H","","","0.71073","MoKα","","0.1812","0.0987","","","0.1503","0.1816","","","","","","1.163","","","","has coordinates,has disorder","277176","2022-08-09","22:28:04",""
"7245289","16.313","0.002","6.9761","0.001","7.9052","0.0009","90","","90","","90","","899.6","0.2","293","","293","","","","","","","","","5","P c a 21","P 2c -2ac","29","","C6H12N2O4P","","- C6 H11 N2 O4 P -","- C6 H11 N2 O4 P -","- C24 H44 N8 O16 P4 -","4","1","","Wang, Duanliang; Sun, Defu; Zhang, Shoubao; Leng, Jiancai; Hou, Ruoxian; Chen, Hanzhang; Sun, Jie; Dang, Yangyang; Shen, Chuan-Ying","A novel 2-(Aminomethyl)pyridineH2PO4 crystal with second-order nonlinear optical performance","CrystEngComm","2022","","","","","10.1039/D2CE00731B","","","0.71073","MoKα","","0.0604","0.0371","","","0.0729","0.0818","","","","","","1.048","","","","has coordinates","277196","2022-08-10","22:38:06",""
"7245290","9.0543","0.0002","13.035","0.0002","34.3367","0.0006","90","","90","","90","","4052.51","0.13","93","","93","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H17 Cl F5 N2 O1.5 -","- C21 H17 Cl F5 N2 O1.5 -","- C168 H136 Cl8 F40 N16 O12 -","8","2","","Yamasaki, Ryu; Harada, Misuzu; Ito, Ai; Fukuda, Kazuo; Matsumoto, Shota; Karasawa, Satoru; Okamoto, Iwao","Reversible On/Off Conformational Switching of Pentafluorobenzoyl Amide Triggered by Acid Vapor and Sublimation","CrystEngComm","2022","","","","","10.1039/D2CE00972B","","x-ray","1.54184","CuKα","","0.0643","0.0524","","","0.1186","0.1323","","","","","","1.117","","","","has coordinates","277197","2022-08-10","22:38:56",""
"7245291","13.1986","0.0003","9.3685","0.0003","32.0246","0.0009","90","","90","","90","","3959.88","0.19","93","","93","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H16 Cl F5 N2 O -","- C21 H16 Cl F5 N2 O -","- C168 H128 Cl8 F40 N16 O8 -","8","1","","Yamasaki, Ryu; Harada, Misuzu; Ito, Ai; Fukuda, Kazuo; Matsumoto, Shota; Karasawa, Satoru; Okamoto, Iwao","Reversible On/Off Conformational Switching of Pentafluorobenzoyl Amide Triggered by Acid Vapor and Sublimation","CrystEngComm","2022","","","","","10.1039/D2CE00972B","","x-ray","1.54184","CuKα","","0.0392","0.0351","","","0.0906","0.0934","","","","","","1.045","","","","has coordinates","277197","2022-08-10","22:38:57",""
"7245292","8.1315","0.0006","13.22","0.001","14.3234","0.0009","84.858","0.003","89.157","0.003","89.327","0.003","1533.3","0.19","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H21 N O6 -","- C16 H21 N O6 -","- C64 H84 N4 O24 -","4","2","","Antonova, Alexandra S.; Nikitina, Eugeniya V.; Valchuk, karine S.; Grigoriev , Mikhail; Gomila, Rosa Maria; Frontera, Antonio; Zubkov, Fedor Ivanovich","Crystal engineering of molecules with through-space α-effect hydrogen bonds: 3a,6:7,9a-diepoxybenzo[de]isoquinolines possessing a free amino group","CrystEngComm","2022","","","","","10.1039/D2CE00903J","","","0.71073","MoKα","","0.1167","0.0558","","","0.1171","0.1409","","","","","","1.002","","","","has coordinates","277208","2022-08-11","22:30:35",""
"7245293","7.8932","0.001","26.076","0.003","8.2119","0.001","90","","107.482","0.014","90","","1612.1","0.4","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Cl N O6 -","- C16 H18 Cl N O6 -","- C64 H72 Cl4 N4 O24 -","4","1","","Antonova, Alexandra S.; Nikitina, Eugeniya V.; Valchuk, karine S.; Grigoriev , Mikhail; Gomila, Rosa Maria; Frontera, Antonio; Zubkov, Fedor Ivanovich","Crystal engineering of molecules with through-space α-effect hydrogen bonds: 3a,6:7,9a-diepoxybenzo[de]isoquinolines possessing a free amino group","CrystEngComm","2022","","","","","10.1039/D2CE00903J","","","0.71073","MoKα","","0.0959","0.0691","","","0.1751","0.2043","","","","","","1.082","","","","has coordinates","277208","2022-08-11","22:30:36",""
"7245294","8.2376","0.0005","18.954","0.0012","19.6823","0.0012","90","","90","","90","","3073.1","0.3","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H21 N O6 -","- C16 H21 N O6 -","- C128 H168 N8 O48 -","8","1","","Antonova, Alexandra S.; Nikitina, Eugeniya V.; Valchuk, karine S.; Grigoriev , Mikhail; Gomila, Rosa Maria; Frontera, Antonio; Zubkov, Fedor Ivanovich","Crystal engineering of molecules with through-space α-effect hydrogen bonds: 3a,6:7,9a-diepoxybenzo[de]isoquinolines possessing a free amino group","CrystEngComm","2022","","","","","10.1039/D2CE00903J","","","0.71073","MoKα","","0.0718","0.0428","","","0.0953","0.1095","","","","","","1.012","","","","has coordinates","277208","2022-08-11","22:30:36",""
"7245295","9.4849","0.001","8.8446","0.0009","19.102","0.002","90","","95.807","0.004","90","","1594.2","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N2 O4 -","- C20 H18 N2 O4 -","- C80 H72 N8 O16 -","4","1","","Antonova, Alexandra S.; Nikitina, Eugeniya V.; Valchuk, karine S.; Grigoriev , Mikhail; Gomila, Rosa Maria; Frontera, Antonio; Zubkov, Fedor Ivanovich","Crystal engineering of molecules with through-space α-effect hydrogen bonds: 3a,6:7,9a-diepoxybenzo[de]isoquinolines possessing a free amino group","CrystEngComm","2022","","","","","10.1039/D2CE00903J","","","0.71073","MoKα","","0.1071","0.053","","","0.1082","0.1296","","","","","","1.032","","","","has coordinates","277208","2022-08-11","22:30:36",""
"7245296","7.7282","0.0007","9.9974","0.001","19.2246","0.0017","83.079","0.004","81.948","0.003","89.975","0.004","1459.8","0.2","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C16 H17 N O7 -","- C16 H17 N O7 -","- C64 H68 N4 O28 -","4","4","","Antonova, Alexandra S.; Nikitina, Eugeniya V.; Valchuk, karine S.; Grigoriev , Mikhail; Gomila, Rosa Maria; Frontera, Antonio; Zubkov, Fedor Ivanovich","Crystal engineering of molecules with through-space α-effect hydrogen bonds: 3a,6:7,9a-diepoxybenzo[de]isoquinolines possessing a free amino group","CrystEngComm","2022","","","","","10.1039/D2CE00903J","","","0.71073","MoKα","","0.0861","0.0573","","","0.111","0.1242","","","","","","1.022","","","","has coordinates","277208","2022-08-11","22:30:36",""
"7245297","8.5398","0.0003","11.8631","0.0004","17.8926","0.0007","90","","90","","90","","1812.67","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H29 K O6 -","- C12 H29 K O6 -","- C48 H116 K4 O24 -","4","1","","Buldashov, Ivan A.; Medvedev, Alexander G.; Mikhaylov, Alexey A.; Andrei, Churakov; Lev, Ovadia; Prikhodchenko, Petr V.","Non-covalent interactions of hydroperoxo group in crystalline adducts of organic hydroperoxides and their potassium salts","CrystEngComm","2022","","","","","10.1039/D2CE01017H","","","0.71073","MoKα","","0.0417","0.0338","","","0.059","0.0613","","","","","","1.054","","","","has coordinates","277221","2022-08-12","22:40:37",""
"7245298","24.9888","0.001","6.3547","0.0003","9.8148","0.0004","90","","90","","90","","1558.55","0.12","150","2","150","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C12 H23 K O8 -","- C12 H23 K O8 -","- C48 H92 K4 O32 -","4","0.5","","Buldashov, Ivan A.; Medvedev, Alexander G.; Mikhaylov, Alexey A.; Andrei, Churakov; Lev, Ovadia; Prikhodchenko, Petr V.","Non-covalent interactions of hydroperoxo group in crystalline adducts of organic hydroperoxides and their potassium salts","CrystEngComm","2022","","","","","10.1039/D2CE01017H","","","0.71073","MoKα","","0.0596","0.0551","","","0.1355","0.1377","","","","","","1.166","","","","has coordinates","277221","2022-08-12","22:40:38",""
"7245299","15.4395","0.0012","10.8481","0.0009","10.6569","0.0008","90","","99.627","0.003","90","","1759.8","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H27 K O8 -","- C14 H27 K O8 -","- C56 H108 K4 O32 -","4","1","","Buldashov, Ivan A.; Medvedev, Alexander G.; Mikhaylov, Alexey A.; Andrei, Churakov; Lev, Ovadia; Prikhodchenko, Petr V.","Non-covalent interactions of hydroperoxo group in crystalline adducts of organic hydroperoxides and their potassium salts","CrystEngComm","2022","","","","","10.1039/D2CE01017H","","","0.71073","MoKα","","0.068","0.047","","","0.0873","0.094","","","","","","1.09","","","","has coordinates,has disorder","277221","2022-08-12","22:40:38",""
"7245300","8.016","0.003","15.184","0.007","21.635","0.009","90","","90","","90","","2633.3","1.9","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H28 Bi Br5 N2 -","- C18 H28 Bi Br5 N2 -","- C72 H112 Bi4 Br20 N8 -","4","1","","SAHOO, SUPRIYA; Deka, Nilotpal; Boomishankar, Ramamoorthy","Piezoelectric Energy Harvesting of a Bismuth Halide Perovskite Stabilised by Chiral Ammonium Cations","CrystEngComm","2022","","","","","10.1039/D2CE00866A","","","0.71073","MoKα","","0.0448","0.0348","","","0.072","0.0764","","","","","","1.123","","","","has coordinates","277223","2022-08-12","22:41:19",""
"7245301","7.903","0.002","14.943","0.004","21.449","0.006","90","","90","","90","","2533","1.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H28 Bi Br5 N2 -","- C18 H28 Bi Br5 N2 -","- C72 H112 Bi4 Br20 N8 -","4","1","","SAHOO, SUPRIYA; Deka, Nilotpal; Boomishankar, Ramamoorthy","Piezoelectric Energy Harvesting of a Bismuth Halide Perovskite Stabilised by Chiral Ammonium Cations","CrystEngComm","2022","","","","","10.1039/D2CE00866A","","","0.71073","MoKα","","0.0773","0.0545","","","0.0846","0.0933","","","","","","1.102","","","","has coordinates","277223","2022-08-12","22:41:19",""
"7245302","6.8068","0.0001","7.989","0.0002","25.3855","0.0004","90","","96.693","0.002","90","","1371.04","0.05","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 N4 O5 S -","- C12 H12 N4 O5 S -","- C48 H48 N16 O20 S4 -","4","1","","Hao, Xinghui; Li, Jinhui; Wang, Chenguang; Zhao, Xinghua; He, Xin; Sun, Changquan Calvin","Profoundly improved photostability of dimetronidazole by cocrystallization","CrystEngComm","2022","","","","","10.1039/D2CE00597B","","x-ray","1.54184","CuKα","","0.0443","0.0425","","","0.11","0.1113","","","","","","1.051","","","","has coordinates","277224","2022-08-12","22:41:40",""
"7245303","4.2851","0.0003","4.2851","0.0003","11.3128","0.0012","90","","90","","120","","179.9","0.03","150","","150","","","","","","","","","1","R -3 m :H","-R 3 2""","166","","","","- Sb -","- Sb -","- Sb6 -","6","0.166667","","Zhao, Xuewen; Xu, Xuequan; Zhao, Rongzheng; Gu, Mengyue; Yang, Na; Huang, Lei; Fu, Chengcheng; Cheng, Yonghong; Zhang, Jinying","A hetero-phase growth method to control the crystal growth of β-antimony single crystals with high quality and large sizes","CrystEngComm","2022","","","","","10.1039/D2CE00743F","","","0.71073","MoKα","","0.0525","0.0525","","","0.1186","0.1186","","","","","","1.093","","","","has coordinates","277225","2022-08-12","22:42:01",""
"7245308","16.7917","0.0008","15.9499","0.0008","24.5755","0.0013","90","","90","","90","","6582","0.6","293","2","293","2","","","","","","","","6","C m c e","-C 2ac 2","64","","SQNU-22","","- C68 H94 F2 Mg5 N10 O24 -","- C48 H52 F2 Mg5 N4 O20 -","- C192 H208 F8 Mg20 N16 O80 -","4","0.25","","Zhang, Jian-Wei; Li, Xi; Yu, Rui-Ying; Zhang, Jinping; Chen, Ya; Li, Jieqiong","An unusual F-bridged dual-trinuclear Mg-organic framework as luminescent thermometer for highly efficient low-temperature detection","CrystEngComm","2022","","","","","10.1039/D2CE01008A","","","0.71073","MoKα","","0.0725","0.0522","","","0.1372","0.1471","","","","","","1.053","","","","has coordinates,has disorder","277240","2022-08-13","22:28:33",""
"7245309","10.9467","0.0011","11.045","0.0014","11.7816","0.0013","90","","112.707","0.004","90","","1314.1","0.3","170","","170","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H36 O7 -","- C30 H36 O7 -","- C60 H72 O14 -","2","1","","Chen, Xiaofeng; Ning, Lifeng","Pharmaceutical cocrystals of nomegestrol acetate with superior dissolution","CrystEngComm","2022","","","","","10.1039/D2CE00870J","","","0.71073","MoKα","","0.0555","0.0412","","","0.0852","0.0951","","","","","","1.049","","","","has coordinates","277241","2022-08-13","22:29:15",""
"7245310","10.8459","0.0007","11.2095","0.0007","11.9727","0.0008","90","","114.141","0.002","90","","1328.3","0.15","170","","170","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H36 O8 -","- C30 H36 O8 -","- C60 H72 O16 -","2","1","","Chen, Xiaofeng; Ning, Lifeng","Pharmaceutical cocrystals of nomegestrol acetate with superior dissolution","CrystEngComm","2022","","","","","10.1039/D2CE00870J","","","0.71073","MoKα","","0.0539","0.0411","","","0.0873","0.0959","","","","","","1.066","","","","has coordinates","277241","2022-08-13","22:29:16",""
"7245311","7.9741","0.0007","17.3556","0.0014","18.7197","0.0016","90","","91.808","0.003","90","","2589.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H19 N5 O7 Sm -","- C29 H19 N5 O7 Sm -","- C116 H76 N20 O28 Sm4 -","4","1","","Wang, Xiong; Xu, Qi-Wei; Wei, Ming Ming; Chen, Jingyao; Wang, Honghao; Li, Xia","Lanthanide ternary mixed-ligand coordination polymers as fluorescent sensors for the sensitive and selective detection of chlorogenic acid","CrystEngComm","2022","","","","","10.1039/D2CE00954D","","","0.71073","MoKα","","0.0456","0.0308","","","0.0693","0.074","","","","","","1.036","","","","has coordinates","277248","2022-08-15","22:34:36",""
"7245312","7.9218","0.0003","17.3785","0.0005","18.616","0.0006","90","","92.595","0.001","90","","2560.22","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H19 Dy N5 O7 -","- C29 H19 Dy N5 O7 -","- C116 H76 Dy4 N20 O28 -","4","1","","Wang, Xiong; Xu, Qi-Wei; Wei, Ming Ming; Chen, Jingyao; Wang, Honghao; Li, Xia","Lanthanide ternary mixed-ligand coordination polymers as fluorescent sensors for the sensitive and selective detection of chlorogenic acid","CrystEngComm","2022","","","","","10.1039/D2CE00954D","","","0.71073","MoKα","","0.0475","0.0305","","","0.0637","0.0685","","","","","","1.025","","","","has coordinates","277248","2022-08-15","22:34:36",""
"7245313","8.0169","0.0002","17.3406","0.0005","18.8595","0.0006","90","","91.347","0.001","90","","2621.08","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H19 Ce N5 O7 -","- C29 H19 Ce N5 O7 -","- C116 H76 Ce4 N20 O28 -","4","1","","Wang, Xiong; Xu, Qi-Wei; Wei, Ming Ming; Chen, Jingyao; Wang, Honghao; Li, Xia","Lanthanide ternary mixed-ligand coordination polymers as fluorescent sensors for the sensitive and selective detection of chlorogenic acid","CrystEngComm","2022","","","","","10.1039/D2CE00954D","","","0.71073","MoKα","","0.0625","0.0365","","","0.0757","0.0829","","","","","","1.035","","","","has coordinates","277248","2022-08-15","22:34:36",""
"7245314","7.9574","0.0004","17.3656","0.0009","18.6899","0.0009","90","","92.077","0.002","90","","2581","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H19 Eu N5 O7 -","- C29 H19 Eu N5 O7 -","- C116 H76 Eu4 N20 O28 -","4","1","","Wang, Xiong; Xu, Qi-Wei; Wei, Ming Ming; Chen, Jingyao; Wang, Honghao; Li, Xia","Lanthanide ternary mixed-ligand coordination polymers as fluorescent sensors for the sensitive and selective detection of chlorogenic acid","CrystEngComm","2022","","","","","10.1039/D2CE00954D","","","0.71073","MoKα","","0.0568","0.0341","","","0.0714","0.0777","","","","","","1.045","","","","has coordinates","277248","2022-08-15","22:34:36",""
"7245315","7.9316","0.0008","17.3837","0.0018","18.6295","0.0019","90","","92.512","0.003","90","","2566.2","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H19 N5 O7 Tb -","- C29 H19 N5 O7 Tb -","- C116 H76 N20 O28 Tb4 -","4","1","","Wang, Xiong; Xu, Qi-Wei; Wei, Ming Ming; Chen, Jingyao; Wang, Honghao; Li, Xia","Lanthanide ternary mixed-ligand coordination polymers as fluorescent sensors for the sensitive and selective detection of chlorogenic acid","CrystEngComm","2022","","","","","10.1039/D2CE00954D","","","0.71073","MoKα","","0.0748","0.04","","","0.0696","0.078","","","","","","1.028","","","","has coordinates","277248","2022-08-15","22:34:36",""
"7245316","8.0812","0.0002","10.1708","0.0002","13.7159","0.0003","90","","92.804","0.002","90","","1125.99","0.04","149.8","0.7","149.8","0.7","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H24 S8 -","- C18 H24 S8 -","- C36 H48 S16 -","2","1","","Mroweh, Nabil; Cauchy, Thomas; Vanthuyne, Nicolas; Avarvari, Narcis","Chiral diethyl-EDT-TTF and tetraethyl-BEDT-TTF: synthesis, structural characterization, radical cation salt and charge transfer complexes","CrystEngComm","2022","","","","","10.1039/D2CE00857B","","","1.54184","CuKα","","0.0316","0.03","","","0.0743","0.0762","","","","","","1.05","","","","has coordinates","277262","2022-08-16","22:28:26",""
"7245317","7.0619","0.0006","10.1071","0.001","12.5228","0.0011","93.828","0.008","101.369","0.007","108.957","0.008","820.47","0.14","294.5","0.5","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H12 Cl0 F2 N2 O0 S4 -","- C15 H12 F2 N2 S4 -","- C30 H24 F4 N4 S8 -","2","1","","Mroweh, Nabil; Cauchy, Thomas; Vanthuyne, Nicolas; Avarvari, Narcis","Chiral diethyl-EDT-TTF and tetraethyl-BEDT-TTF: synthesis, structural characterization, radical cation salt and charge transfer complexes","CrystEngComm","2022","","","","","10.1039/D2CE00857B","","","1.54184","CuKα","","0.0912","0.0678","","","0.1636","0.1856","","","","","","1.035","","","","has coordinates","277262","2022-08-16","22:28:27",""
"7245318","31.2707","0.0011","9.2527","0.0004","10.954","0.0004","90","","90","","90","","3169.4","0.2","297","1","297","1","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C24 H28 S12 -","- C24 H28 S12 -","- C96 H112 S48 -","4","1","","Mroweh, Nabil; Cauchy, Thomas; Vanthuyne, Nicolas; Avarvari, Narcis","Chiral diethyl-EDT-TTF and tetraethyl-BEDT-TTF: synthesis, structural characterization, radical cation salt and charge transfer complexes","CrystEngComm","2022","","","","","10.1039/D2CE00857B","","","1.54184","CuKα","","0.0568","0.0441","","","0.1032","0.1136","","","","","","1.027","","","","has coordinates","277262","2022-08-16","22:28:27",""
"7245319","6.177","0.0003","10.9534","0.0006","11.7837","0.0008","90","","96.154","0.005","90","","792.68","0.08","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H14 S6 -","- C12 H14 S6 -","- C24 H28 S12 -","2","1","","Mroweh, Nabil; Cauchy, Thomas; Vanthuyne, Nicolas; Avarvari, Narcis","Chiral diethyl-EDT-TTF and tetraethyl-BEDT-TTF: synthesis, structural characterization, radical cation salt and charge transfer complexes","CrystEngComm","2022","","","","","10.1039/D2CE00857B","","","1.54184","CuKα","","0.0392","0.0357","","","0.0942","0.0973","","","","","","1.02","","","","has coordinates","277262","2022-08-16","22:28:28",""
"7245320","6.1216","0.0003","10.8073","0.0005","11.7028","0.0006","90","","95.501","0.004","90","","770.67","0.07","150.01","0.1","150.1","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H14 S6 -","- C12 H14 S6 -","- C24 H28 S12 -","2","1","","Mroweh, Nabil; Cauchy, Thomas; Vanthuyne, Nicolas; Avarvari, Narcis","Chiral diethyl-EDT-TTF and tetraethyl-BEDT-TTF: synthesis, structural characterization, radical cation salt and charge transfer complexes","CrystEngComm","2022","","","","","10.1039/D2CE00857B","","","1.54184","CuKα","","0.0394","0.0362","","","0.0946","0.0982","","","","","","0.909","","","","has coordinates","277262","2022-08-16","22:28:28",""
"7245321","13.7056","0.0002","13.7056","0.0002","23.9209","0.0005","90","","90","","90","","4493.38","0.13","150","0.1","150","0.1","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- C18 H24 S8 -","- C18 H24 S8 -","- C144 H192 S64 -","8","1","","Mroweh, Nabil; Cauchy, Thomas; Vanthuyne, Nicolas; Avarvari, Narcis","Chiral diethyl-EDT-TTF and tetraethyl-BEDT-TTF: synthesis, structural characterization, radical cation salt and charge transfer complexes","CrystEngComm","2022","","","","","10.1039/D2CE00857B","","","1.54184","CuKα","","0.0579","0.0486","","","0.1004","0.1045","","","","","","1.153","","","","has coordinates","277262","2022-08-16","22:28:28",""
"7245322","6.1944","0.0003","11.0828","0.0005","16.564","0.0009","90","","92.272","0.004","90","","1136.25","0.1","294.73","0.1","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C9 H12 S4 -","- C9 H12 S4 -","- C36 H48 S16 -","4","1","","Mroweh, Nabil; Cauchy, Thomas; Vanthuyne, Nicolas; Avarvari, Narcis","Chiral diethyl-EDT-TTF and tetraethyl-BEDT-TTF: synthesis, structural characterization, radical cation salt and charge transfer complexes","CrystEngComm","2022","","","","","10.1039/D2CE00857B","","","1.54184","CuKα","","0.0786","0.0693","","","0.1612","0.1696","","","","","","1.065","","","","has coordinates","277262","2022-08-16","22:28:28",""
"7245323","8.2148","0.0004","10.2029","0.0004","13.8985","0.0008","90","","93.622","0.005","90","","1162.57","0.1","293","0.1","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H24 S8 -","- C18 H24 S8 -","- C36 H48 S16 -","2","1","","Mroweh, Nabil; Cauchy, Thomas; Vanthuyne, Nicolas; Avarvari, Narcis","Chiral diethyl-EDT-TTF and tetraethyl-BEDT-TTF: synthesis, structural characterization, radical cation salt and charge transfer complexes","CrystEngComm","2022","","","","","10.1039/D2CE00857B","","","1.54184","CuKα","","0.0555","0.0441","","","0.1121","0.1166","","","","","","1.07","","","","has coordinates","277262","2022-08-16","22:28:28",""
"7245324","8.1638","0.0004","15.558","0.003","16.203","0.003","68.67","0.01","88.608","0.008","87.047","0.008","1914.4","0.5","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C12 H14 F6 P S6 -","- C12 H14 F6 P S6 -","- C48 H56 F24 P4 S24 -","4","4","","Mroweh, Nabil; Cauchy, Thomas; Vanthuyne, Nicolas; Avarvari, Narcis","Chiral diethyl-EDT-TTF and tetraethyl-BEDT-TTF: synthesis, structural characterization, radical cation salt and charge transfer complexes","CrystEngComm","2022","","","","","10.1039/D2CE00857B","","","0.71073","MoKα","","0.0884","0.0491","","","0.102","0.1157","","","","","","1.016","","","","has coordinates","277262","2022-08-16","22:28:28",""
"7245325","7.6595","0.0001","14.5463","0.0002","22.7605","0.0003","95.079","0.001","99.545","0.001","90.995","0.001","2489.66","0.06","149.9","0.5","149.9","0.5","","","","","","","","5","P 1","P 1","1","","","","- C24 H14 F4 N4 S6 -","- C24 H14 F4 N4 S6 -","- C96 H56 F16 N16 S24 -","4","4","","Mroweh, Nabil; Cauchy, Thomas; Vanthuyne, Nicolas; Avarvari, Narcis","Chiral diethyl-EDT-TTF and tetraethyl-BEDT-TTF: synthesis, structural characterization, radical cation salt and charge transfer complexes","CrystEngComm","2022","","","","","10.1039/D2CE00857B","","","1.54184","CuKα","","0.0477","0.046","","","0.1242","0.1285","","","","","","1.039","","","","has coordinates","277262","2022-08-16","22:28:28",""
"7245326","6.3369","0.0005","6.341","0.0005","6.5675","0.0006","85.841","0.007","73.143","0.007","89.946","0.006","251.84","0.04","100","0.1","100","0.1","","","","","","","","5","P 1","P 1","1","","","","- Ca H8 O14 P2 V2 -","- Ca H8 O14 P2 V2 -","- Ca H8 O14 P2 V2 -","1","1","","Wang, Xinmei; Qi, Lu; Wu, Lei; Zhang, Ruixin; Abudoureheman, Maierhaba; Lv, Jiarong; Wang, Peng; Dong, Xiaoyu; Jing, Qun; Chen, Zhaohui","Synergistic effect of 2[V2P2O14]∞ layers and hydrogen bonds inducing large birefringence in M(VO)2(PO4)2·4H2O (M = Ca, Sr, Ba) system","CrystEngComm","2022","","","","","10.1039/D2CE00728B","","x-ray","0.71073","MoKα","","0.0406","0.0393","","","0.1027","0.104","","","","","","1.075","","","","has coordinates","277263","2022-08-16","22:29:33",""
"7245327","6.3867","0.0008","12.7855","0.0016","6.3889","0.0008","90","","90.165","0.001","90","","521.7","0.11","297","","297","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- Ba H8 O14 P2 V2 -","- Ba H8 O14 P2 V2 -","- Ba2 H16 O28 P4 V4 -","2","1","","Wang, Xinmei; Qi, Lu; Wu, Lei; Zhang, Ruixin; Abudoureheman, Maierhaba; Lv, Jiarong; Wang, Peng; Dong, Xiaoyu; Jing, Qun; Chen, Zhaohui","Synergistic effect of 2[V2P2O14]∞ layers and hydrogen bonds inducing large birefringence in M(VO)2(PO4)2·4H2O (M = Ca, Sr, Ba) system","CrystEngComm","2022","","","","","10.1039/D2CE00728B","","","0.71073","MoKα","","0.0305","0.0248","","","0.0524","0.0551","","","","","","1.046","","","","has coordinates","277263","2022-08-16","22:29:34",""
"7245328","9.0039","0.0003","8.9895","0.0003","12.7798","0.0005","90","","100.406","0.003","90","","1017.39","0.06","297","","297","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- H8 O14 P2 Sr V2 -","- H8 O14 P2 Sr V2 -","- H32 O56 P8 Sr4 V8 -","4","1","","Wang, Xinmei; Qi, Lu; Wu, Lei; Zhang, Ruixin; Abudoureheman, Maierhaba; Lv, Jiarong; Wang, Peng; Dong, Xiaoyu; Jing, Qun; Chen, Zhaohui","Synergistic effect of 2[V2P2O14]∞ layers and hydrogen bonds inducing large birefringence in M(VO)2(PO4)2·4H2O (M = Ca, Sr, Ba) system","CrystEngComm","2022","","","","","10.1039/D2CE00728B","","","0.71073","MoKα","","0.0303","0.0295","","","0.0656","0.0661","","","","","","1.032","","","","has coordinates","277263","2022-08-16","22:29:34",""
"7245343","10.0227","0.0003","10.0227","0.0003","9.8795","0.0004","90","","90","","120","","859.48","0.05","17.5","0.9","17.5","0.9","","","","","","","","5","P 31","P 31","144","NCLBA","N-chloro-N'-(p-fluorophenyl)-benzamidine","","- C13 H10 Cl F N2 -","- C13 H10 Cl F N2 -","- C39 H30 Cl3 F3 N6 -","3","1","","Destro, Riccardo; Barzaghi, Mario; Soave, Raffaella; Roversi, Pietro; Lo Presti, Leonardo","Accurate experimental characterization of the labile N–Cl bond in N-chloro-N'-(p-fluorophenyl)-benzamidine crystal at 17.5 K","CrystEngComm","2022","","","","","10.1039/D2CE00957A","","","0.71073","MoKα","","0.0159","0.0159","","","0.014","0.014","","","","","","0.9652","","","","has coordinates","277291","2022-08-17","22:39:07",""
"7245344","9.8648","0.0005","9.8648","0.0005","13.7921","0.0017","90","","90","","120","","1162.35","0.17","298.15","","298.15","","","","","","","","","5","R 3 :H","R 3","146","","[MDABCO]CsI3","","- C7 H16 Cs I3 N2 -","- C7 H16 Cs I3 N2 -","- C21 H48 Cs3 I9 N6 -","3","0.333333","","Gale, Samuel David; Lloyd, Harry James; Male, Louise; Warren, Mark R.; Saunders, Lucy K.; Anderson, P. A.; Yeung, Hamish Hei-Man","Materials discovery and design limits in MDABCO perovskites","CrystEngComm","2022","","","","","10.1039/D2CE00848C","","","0.534","synchrotron","","0.0394","0.0393","","","0.1139","0.1141","","","","","","1.199","","","","has coordinates","277292","2022-08-17","22:39:50",""
"7245345","14.8238","0.0004","10.1333","0.0003","16.4441","0.0004","90","","90.577","0.002","90","","2470.01","0.12","290.3","0.2","290.3","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","[MDABCO]NH4Cl3","","- C7 H20 Cl3 N3 -","- C7 H20 Cl3 N3 -","- C56 H160 Cl24 N24 -","8","2","","Gale, Samuel David; Lloyd, Harry James; Male, Louise; Warren, Mark R.; Saunders, Lucy K.; Anderson, P. A.; Yeung, Hamish Hei-Man","Materials discovery and design limits in MDABCO perovskites","CrystEngComm","2022","","","","","10.1039/D2CE00848C","","x-ray","1.54184","CuKα","","0.0523","0.0417","","","0.1027","0.1102","","","","","","1.041","","","","has coordinates,has disorder","277292","2022-08-17","22:39:50",""
"7245346","14.1838","0.001","9.9322","0.0006","9.6159","0.0006","90","","90","","90","","1354.65","0.15","291","2","291.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","[MDABCO]RbBr3","","- C7 H16 Br3 N2 Rb -","- C7 H16 Br3 N2 Rb -","- C28 H64 Br12 N8 Rb4 -","4","1","","Gale, Samuel David; Lloyd, Harry James; Male, Louise; Warren, Mark R.; Saunders, Lucy K.; Anderson, P. A.; Yeung, Hamish Hei-Man","Materials discovery and design limits in MDABCO perovskites","CrystEngComm","2022","","","","","10.1039/D2CE00848C","","x-ray","1.54184","CuKα","","0.0342","0.0318","","","0.0788","0.0817","","","","","","1.056","","","","has coordinates","277292","2022-08-17","22:39:50",""
"7245357","9.7633","0.0003","14.2131","0.0004","18.8859","0.0005","90","","98.257","0.002","90","","2593.57","0.13","100.01","0.1","100.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C11 H27 F6 O9 P3 Pb S2 -","- C11 H27 F6 O9 P3 Pb S2 -","- C44 H108 F24 O36 P12 Pb4 S8 -","4","1","","Cairns, Kelsey R.; King, Rhys P.; Levason, William; Reid, Gillian","Self-assembly of [Sn(OPMe3)3(CF3SO3)2]6 metallocyclic Sn(ii) hexamer stacks with CF3-lined channel interiors","CrystEngComm","2022","","","","","10.1039/D2CE01029A","","x-ray","0.71073","MoKα","","0.0293","0.0223","","","0.0432","0.0447","","","","","","1.026","","","","has coordinates","277311","2022-08-18","22:34:33",""
"7245358","24.5947","0.0004","24.5947","0.0004","7.8897","0.0001","90","","90","","120","","4133.08","0.11","100","","100","","","","","","","","","7","P -3","-P 3","147","","","","- C12 H29.33 F6 O9 P3 S2 Sn -","- C11 H27 F6 O9 P3 S2 Sn -","- C66 H162 F36 O54 P18 S12 Sn6 -","6","1","","Cairns, Kelsey R.; King, Rhys P.; Levason, William; Reid, Gillian","Self-assembly of [Sn(OPMe3)3(CF3SO3)2]6 metallocyclic Sn(ii) hexamer stacks with CF3-lined channel interiors","CrystEngComm","2022","","","","","10.1039/D2CE01029A","","","0.71073","MoKα","","0.0223","0.0193","","","0.0472","0.048","","","","","","1.043","","","","has coordinates,has disorder","277311","2022-08-18","22:34:34",""
"7245359","7.4815","0.0004","32.2385","0.0019","10.5446","0.0007","90","","106.562","0.002","90","","2437.8","0.3","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 I6 N4 O2 S -","- C12 H14 I6 N4 O2 S -","- C48 H56 I24 N16 O8 S4 -","4","1","","Peloquin, Andrew J.; McMillen, Colin; Pennington, William","Isolation of unique heterocycles formed from pyridine-thiocarboxamides as diiodine, iodide, or polyiodide salts","CrystEngComm","2022","","","","","10.1039/D2CE00904H","","","0.71073","MoKα","","0.0384","0.0311","","","0.0656","0.0675","","","","","","1.127","","","","has coordinates","277360","2022-08-23","22:33:30",""
"7245360","9.862","0.0002","6.3853","0.0002","25.0333","0.0005","90","","90","","90","","1576.39","0.07","100","2","100.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C14 H12 I N5 S -","- C14 H12 I N5 S -","- C56 H48 I4 N20 S4 -","4","0.5","","Peloquin, Andrew J.; McMillen, Colin; Pennington, William","Isolation of unique heterocycles formed from pyridine-thiocarboxamides as diiodine, iodide, or polyiodide salts","CrystEngComm","2022","","","","","10.1039/D2CE00904H","","","0.71073","MoKα","","0.0362","0.028","","","0.0529","0.0578","","","","","","1.061","","","","has coordinates","277360","2022-08-23","22:33:31",""
"7245361","10.789","0.002","12.598","0.003","15.026","0.003","107.107","0.009","95.518","0.008","111.229","0.008","1771.8","0.7","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H26 Bi4 I20 N10 S2 -","- C28 H26 Bi4 I20 N10 S2 -","- C28 H26 Bi4 I20 N10 S2 -","1","0.5","","Peloquin, Andrew J.; McMillen, Colin; Pennington, William","Isolation of unique heterocycles formed from pyridine-thiocarboxamides as diiodine, iodide, or polyiodide salts","CrystEngComm","2022","","","","","10.1039/D2CE00904H","","","0.71073","MoKα","","0.0307","0.0275","","","0.0605","0.0613","","","","","","1.243","","","","has coordinates,has disorder","277360","2022-08-23","22:33:31",""
"7245362","8.3663","0.0005","24.1622","0.0012","12.9374","0.0008","90","","106.602","0.002","90","","2506.2","0.3","100","","100","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C24 H25 Bi2 I9 N8 O3 S2 -","- C24 H25 Bi2 I9 N8 O3 S2 -","- C48 H50 Bi4 I18 N16 O6 S4 -","2","1","","Peloquin, Andrew J.; McMillen, Colin; Pennington, William","Isolation of unique heterocycles formed from pyridine-thiocarboxamides as diiodine, iodide, or polyiodide salts","CrystEngComm","2022","","","","","10.1039/D2CE00904H","","","0.71073","MoKα","","0.0324","0.0299","","","0.0711","0.0718","","","","","","1.084","","","","has coordinates,has disorder","277360","2022-08-23","22:33:31",""
"7245363","10.3658","0.0001","13.9906","0.0002","21.5956","0.0003","97.057","0.001","94.932","0.001","110.74","0.001","2878.31","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H54 Fe2 I32 N20 O6 -","- C60 H54 Fe2 I32 N20 O6 -","- C60 H54 Fe2 I32 N20 O6 -","1","0.5","","Peloquin, Andrew J.; McMillen, Colin; Pennington, William","Isolation of unique heterocycles formed from pyridine-thiocarboxamides as diiodine, iodide, or polyiodide salts","CrystEngComm","2022","","","","","10.1039/D2CE00904H","","","0.71073","MoKα","","0.0634","0.0472","","","0.121","0.1303","","","","","","1.09","","","","has coordinates","277360","2022-08-23","22:33:32",""
"7245364","13.5105","0.0005","14.6827","0.0007","17.4311","0.0008","93.901","0.002","101.189","0.002","91.407","0.002","3381.7","0.3","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C46 H45 I12 N27 -","- C46 H45 I12 N27 -","- C92 H90 I24 N54 -","2","1","","Peloquin, Andrew J.; McMillen, Colin; Pennington, William","Isolation of unique heterocycles formed from pyridine-thiocarboxamides as diiodine, iodide, or polyiodide salts","CrystEngComm","2022","","","","","10.1039/D2CE00904H","","","0.71073","MoKα","","0.0343","0.0241","","","0.0506","0.0567","","","","","","1.08","","","","has coordinates","277360","2022-08-23","22:33:32",""
"7245365","25.1259","0.0013","7.4309","0.0004","21.0334","0.0009","90","","102.923","0.002","90","","3827.6","0.3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 I10 N12 -","- C20 H16 I10 N12 -","- C80 H64 I40 N48 -","4","1","","Peloquin, Andrew J.; McMillen, Colin; Pennington, William","Isolation of unique heterocycles formed from pyridine-thiocarboxamides as diiodine, iodide, or polyiodide salts","CrystEngComm","2022","","","","","10.1039/D2CE00904H","","","0.71073","MoKα","","0.0357","0.0263","","","0.0531","0.0587","","","","","","1.14","","","","has coordinates","277360","2022-08-23","22:33:32",""
"7245366","13.1812","0.0004","13.8011","0.0004","14.1644","0.0005","108.449","0.001","99.637","0.002","115.406","0.001","2065.08","0.12","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H52 Bi4 I16 N24 O4 -","- C44 H52 Bi4 I16 N24 O4 -","- C44 H52 Bi4 I16 N24 O4 -","1","0.5","","Peloquin, Andrew J.; McMillen, Colin; Pennington, William","Isolation of unique heterocycles formed from pyridine-thiocarboxamides as diiodine, iodide, or polyiodide salts","CrystEngComm","2022","","","","","10.1039/D2CE00904H","","","0.71073","MoKα","","0.0408","0.032","","","0.0623","0.0683","","","","","","1.241","","","","has coordinates","277360","2022-08-23","22:33:32",""
"7245367","8.734","0.0004","14.0058","0.0006","16.2738","0.0008","109.15","0.002","90.654","0.002","96.535","0.002","1865.82","0.15","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 I8 N8 S2 -","- C26 H20 I8 N8 S2 -","- C52 H40 I16 N16 S4 -","2","1","","Peloquin, Andrew J.; McMillen, Colin; Pennington, William","Isolation of unique heterocycles formed from pyridine-thiocarboxamides as diiodine, iodide, or polyiodide salts","CrystEngComm","2022","","","","","10.1039/D2CE00904H","","","0.71073","MoKα","","0.0187","0.0161","","","0.0328","0.0341","","","","","","1.074","","","","has coordinates,has disorder","277360","2022-08-23","22:33:32",""
"7245368","11.1882","0.0005","14.4203","0.0006","17.124","0.0008","109.244","0.002","91.431","0.002","97.814","0.002","2576.9","0.2","100.01","","100.01","","","","","","","","","5","P -1","-P 1","2","","","","- C64 H68 Bi4 I20 N20 -","- C64 H68 Bi4 I20 N20 -","- C64 H68 Bi4 I20 N20 -","1","0.5","","Peloquin, Andrew J.; McMillen, Colin; Pennington, William","Isolation of unique heterocycles formed from pyridine-thiocarboxamides as diiodine, iodide, or polyiodide salts","CrystEngComm","2022","","","","","10.1039/D2CE00904H","","","0.71073","MoKα","","0.0398","0.0308","","","0.0604","0.0659","","","","","","1.122","","","","has coordinates","277360","2022-08-23","22:33:32",""
"7245369","11.3588","0.0006","11.5129","0.0006","34.8748","0.0017","92.184","0.002","93.977","0.002","106.355","0.002","4357.7","0.4","100","2","100.01","","","","","","","","","6","P 1","P 1","1","","","","- C60 H58 Bi12 I53 N21 O2 -","- C60 H58 Bi12 I53 N21 O2 -","- C60 H58 Bi12 I53 N21 O2 -","1","1","","Peloquin, Andrew J.; McMillen, Colin; Pennington, William","Isolation of unique heterocycles formed from pyridine-thiocarboxamides as diiodine, iodide, or polyiodide salts","CrystEngComm","2022","","","","","10.1039/D2CE00904H","","","0.71073","MoKα","","0.061","0.0458","","","0.1029","0.1125","","","","","","1.015","","","","has coordinates","277360","2022-08-23","22:33:32",""
"7245370","8.0951","0.0004","12.8879","0.0007","16.9574","0.0009","78.7","0.002","89.492","0.002","77.193","0.002","1690.59","0.15","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H39 I12 N25 S2 -","- C42 H39 I12 N25 S2 -","- C42 H39 I12 N25 S2 -","1","0.5","","Peloquin, Andrew J.; McMillen, Colin; Pennington, William","Isolation of unique heterocycles formed from pyridine-thiocarboxamides as diiodine, iodide, or polyiodide salts","CrystEngComm","2022","","","","","10.1039/D2CE00904H","","","0.71073","MoKα","","0.0163","0.0139","","","0.0277","0.0286","","","","","","1.079","","","","has coordinates,has disorder","277360","2022-08-23","22:33:32",""
"7245371","7.3464","0.0002","26.937","0.0004","24.3715","0.0005","90","","94.853","0.002","90","","4805.59","0.18","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 I15 N8 -","- C22 H21 I15 N8 -","- C88 H84 I60 N32 -","4","1","","Peloquin, Andrew J.; McMillen, Colin; Pennington, William","Isolation of unique heterocycles formed from pyridine-thiocarboxamides as diiodine, iodide, or polyiodide salts","CrystEngComm","2022","","","","","10.1039/D2CE00904H","","","0.71073","MoKα","","0.0341","0.026","","","0.0454","0.0477","","","","","","1.052","","","","has coordinates","277360","2022-08-23","22:33:32",""
"7245372","13.3176","0.0006","16.6001","0.0007","19.8556","0.0008","103.605","0.002","96.773","0.002","111.876","0.002","3855","0.3","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C41.71 H34.57 Fe I20.29 N14.86 -","- C41.712 H34.568 Fe I20.2878 N14.856 -","- C83.424 H69.136 Fe2 I40.5756 N29.712 -","2","1","","Peloquin, Andrew J.; McMillen, Colin; Pennington, William","Isolation of unique heterocycles formed from pyridine-thiocarboxamides as diiodine, iodide, or polyiodide salts","CrystEngComm","2022","","","","","10.1039/D2CE00904H","","","0.71073","MoKα","","0.0404","0.0342","","","0.0721","0.0771","","","","","","1.09","","","","has coordinates,has disorder","277360","2022-08-23","22:33:32",""
"7245373","21.203","0.0012","11.4331","0.0005","40.625","0.002","90","","90.697","0.002","90","","9847.4","0.9","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H32 Bi8 I28 N12 S2 -","- C32 H32 Bi8 I28 N12 S2 -","- C128 H128 Bi32 I112 N48 S8 -","4","1","","Peloquin, Andrew J.; McMillen, Colin; Pennington, William","Isolation of unique heterocycles formed from pyridine-thiocarboxamides as diiodine, iodide, or polyiodide salts","CrystEngComm","2022","","","","","10.1039/D2CE00904H","","","0.71073","MoKα","","0.0453","0.0317","","","0.0531","0.057","","","","","","1.058","","","","has coordinates,has disorder","277360","2022-08-23","22:33:33",""
"7245374","7.7763","0.0006","25.918","0.002","17.0369","0.0013","90","","99.309","0.003","90","","3388.5","0.5","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 I6 N8 S2 -","- C24 H18 I6 N8 S2 -","- C96 H72 I24 N32 S8 -","4","1","","Peloquin, Andrew J.; McMillen, Colin; Pennington, William","Isolation of unique heterocycles formed from pyridine-thiocarboxamides as diiodine, iodide, or polyiodide salts","CrystEngComm","2022","","","","","10.1039/D2CE00904H","","","0.71073","MoKα","","0.0253","0.0217","","","0.0505","0.0531","","","","","","1.111","","","","has coordinates,has disorder","277360","2022-08-23","22:33:33",""
"7245375","14.9488","0.0011","10.702","0.0007","25.0852","0.0019","90","","106.469","0.003","90","","3848.5","0.5","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 Bi6 I22 N8 O2 S2 -","- C26 H28 Bi6 I22 N8 O2 S2 -","- C52 H56 Bi12 I44 N16 O4 S4 -","2","0.5","","Peloquin, Andrew J.; McMillen, Colin; Pennington, William","Isolation of unique heterocycles formed from pyridine-thiocarboxamides as diiodine, iodide, or polyiodide salts","CrystEngComm","2022","","","","","10.1039/D2CE00904H","","","0.71073","MoKα","","0.0299","0.021","","","0.0409","0.0427","","","","","","1.042","","","","has coordinates","277360","2022-08-23","22:33:33",""
"7245379","34.073","0.006","25.957","0.004","36.353","0.006","90","","101.438","0.003","90","","31513","9","190","1","190","1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","cluster-1","","- C178 H138 Cl24 N22 O62 S6 Tb5 Zn6 -","- C178 H138 Cl24 N22 O62 S6 Tb5 Zn6 -","- C712 H552 Cl96 N88 O248 S24 Tb20 Zn24 -","4","0.5","","Zhu, Ting; Chen, Ya; Yang, Xiaoping; Leng, Xilong; Schipper, Desmond","Construction of a Luminescent Eleven-metal Zn(II)-Tb(III) Nanocluster for Rapid and Quantitative Time-gated Detection of Guanosine-5-monophoshpate and RNA","CrystEngComm","2022","","","","","10.1039/D2CE00753C","","","0.71073","MoKα","","0.1855","0.0952","","","0.2119","0.2314","","","","","","1.099","","","","has coordinates","277391","2022-08-24","22:29:33",""
"7245387","11.6287","0.0012","12.9682","0.0014","15.0674","0.0014","98.887","0.005","106.858","0.005","108.238","0.004","1988.7","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","JHP-20210114","","","- C52 H24 F8 N6 -","- C52 H24 F8 N6 -","- C104 H48 F16 N12 -","2","1","","Mandal, Arkalekha; Nath, Bhaskar","Unravelling Supramolecular Features and Opto-electronic Properties of Binary Charge Transfer Cocrystal of Blue Fluorescent Di-carbazole and TFT","CrystEngComm","2022","","","","","10.1039/D2CE00555G","","","0.71073","MoKα","","0.0803","0.044","","","0.0956","0.1134","","","","","","1.02","","","","has coordinates","277446","2022-08-29","22:41:23",""
"7245388","19.8689","0.0016","31.487","0.003","21.8015","0.0016","90","","116.894","0.003","90","","12164.1","1.8","300","","300","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C102 H108 Dy4 N34 O16 -","- C102 H108 Dy4 N34 O16 -","- C408 H432 Dy16 N136 O64 -","4","0.5","","Ashebr, Tesfay; Li, Xiao-Lei; Zhao, Chen; Yang, Qianqian; Tang, Jinkui","Bis-pyrazolone-based dysprosium(III) complexes: zero-field single-molecule magnet behavior in the [2 × 2] grid DyIII4 cluster","CrystEngComm","2022","","","","","10.1039/D2CE01067D","","","0.71073","MoKα","","0.21","0.141","","","0.3459","0.4093","","","","","","1.05","","","","has coordinates","277447","2022-08-29","22:42:33",""
"7245389","35.329","0.003","16.683","0.0014","30.194","0.002","90","","104.51","0.003","90","","17229","2","180","","180","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C164 H166 Dy2 N36 O12 -","- C164 H166 Dy2 N36 O12 -","- C656 H664 Dy8 N144 O48 -","4","0.5","","Ashebr, Tesfay; Li, Xiao-Lei; Zhao, Chen; Yang, Qianqian; Tang, Jinkui","Bis-pyrazolone-based dysprosium(III) complexes: zero-field single-molecule magnet behavior in the [2 × 2] grid DyIII4 cluster","CrystEngComm","2022","","","","","10.1039/D2CE01067D","","","0.71073","MoKα","","0.1495","0.0778","","","0.1872","0.2455","","","","","","1.013","","","","has coordinates","277447","2022-08-29","22:42:33",""
"7245390","12.9911","0.0013","15.8935","0.0013","14.8351","0.0012","90","","103.145","0.004","90","","2982.8","0.5","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H25 Co N7 O10 -","- C29 H25 Co N7 O10 -","- C116 H100 Co4 N28 O40 -","4","1","","Gao, Qian; Wei, Yaoyi; Wang, Lulu; Luo, Rong; WANG, JINMIAO; Xie, Chenze; Li, Jingjing; Li, Na; Bi, Shuangyu; Zhang, Xia","Three novel Co(II)-based MOFs: Syntheses, structural diversity, and adsorption properties","CrystEngComm","2022","","","","","10.1039/D2CE01085B","","","0.71073","MoKα","","0.0797","0.0531","","","0.1185","0.1341","","","","","","1.021","","","","has coordinates","277470","2022-08-30","22:39:58",""
"7245391","21.4068","0.0007","30.3931","0.0011","14.7301","0.0005","90","","103.833","0.002","90","","9305.7","0.6","150","","150","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C27 H19 Co2 N5 O8 -","- C27 H19 Co2 N5 O8 -","- C216 H152 Co16 N40 O64 -","8","1","","Gao, Qian; Wei, Yaoyi; Wang, Lulu; Luo, Rong; WANG, JINMIAO; Xie, Chenze; Li, Jingjing; Li, Na; Bi, Shuangyu; Zhang, Xia","Three novel Co(II)-based MOFs: Syntheses, structural diversity, and adsorption properties","CrystEngComm","2022","","","","","10.1039/D2CE01085B","","","0.71073","MoKα","","0.0683","0.0449","","","0.1336","0.1525","","","","","","1.054","","","","has coordinates,has disorder","277470","2022-08-30","22:39:59",""
"7245392","22.2002","0.0013","20.6167","0.0012","41.73","0.002","90","","100.495","0.002","90","","18780.1","1.8","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C100 H72 Co3 N18 O16 -","- C100 H72 Co3 N18 O16 -","- C800 H576 Co24 N144 O128 -","8","1","","Gao, Qian; Wei, Yaoyi; Wang, Lulu; Luo, Rong; WANG, JINMIAO; Xie, Chenze; Li, Jingjing; Li, Na; Bi, Shuangyu; Zhang, Xia","Three novel Co(II)-based MOFs: Syntheses, structural diversity, and adsorption properties","CrystEngComm","2022","","","","","10.1039/D2CE01085B","","","0.71073","MoKα","","0.1056","0.0675","","","0.1551","0.1737","","","","","","1.032","","","","has coordinates","277470","2022-08-30","22:39:59",""
"7245394","12.0541","0.0015","12.5825","0.0013","13.7766","0.0016","79.249","0.005","81.329","0.006","83.791","0.006","2022.5","0.4","273.15","","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C68 H50 Cd3 N4 O14 -","- C68 H44 Cd3 N4 O12 -","- C68 H44 Cd3 N4 O12 -","1","0.5","","Song, Xing; Hu, Xiao-Li; Lin, Zi-Han; Ma, Chaohong; Su, Zhong-Min","Methyl Blue@CUST-580 composite as a simultaneous fluorescence-enhanced dual-emission platform for enhanced detection of antibiotics","CrystEngComm","2022","","","","","10.1039/D2CE00901C","","","0.71073","MoKα","","0.0491","0.0318","","","0.0734","0.0808","","","","","","1.029","","","","has coordinates","277510","2022-08-31","22:36:35",""
"7245395","17.3887","0.0009","7.8689","0.0004","23.0857","0.0009","90","","90","","90","","3158.8","0.3","296","0.4","296","0.4","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H14 N4 O6 -","- C15 H14 N4 O6 -","- C120 H112 N32 O48 -","8","1","","Gupta, Poonam; Allu, Suryanarayana; Hazarika, Pragyan J.; Ray, Nisha R.; Nangia, Ashwini K.; Nath, Naba K.","Fast and reversible bidirectional photomechanical response displayed by a flexible polycrystalline aggregate of a hydrazone","CrystEngComm","2022","","","","","10.1039/D2CE00829G","","x-ray","0.71073","MoKα","","0.1571","0.057","","","0.1252","0.1698","","","","","","0.982","","","","has coordinates","277511","2022-08-31","22:37:08",""
"7245408","8.074","0.0002","31.7168","0.0005","16.219","0.0003","90","","100.863","0.002","90","","4078.96","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H34 K N10 O6 -","- C42 H34 K N10 O6 -","- C168 H136 K4 N40 O24 -","4","1","","Yan, Bingjia; Horton, Peter; Weston, Simon C.; Wedge, Christopher J.; Russell, Andrea E.; Grossel, Martin C.","Architectural diversity in the solid-state behaviour of crown ether and [2.2.2]-cryptand complexes of K+TCNQ•– salts","CrystEngComm","2022","","","","","10.1039/D2CE00773H","","x-ray","0.71075","MoKα","K-L~3~","0.0491","0.0353","","","0.0868","0.0916","","","","","","1.042","","","","has coordinates","277563","2022-09-01","22:32:17",""
"7245409","6.4442","0.0001","35.1206","0.0006","8.0868","0.0002","90","","99.84","0.002","90","","1803.31","0.06","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C40 H32 K N8 O6 -","- C40 H32 K N8 O6 -","- C80 H64 K2 N16 O12 -","2","0.5","","Yan, Bingjia; Horton, Peter; Weston, Simon C.; Wedge, Christopher J.; Russell, Andrea E.; Grossel, Martin C.","Architectural diversity in the solid-state behaviour of crown ether and [2.2.2]-cryptand complexes of K+TCNQ•– salts","CrystEngComm","2022","","","","","10.1039/D2CE00773H","","x-ray","0.71075","MoKα","K-L~3~","0.0379","0.0332","","","0.0884","0.0908","","","","","","1.04","","","","has coordinates,has disorder","277563","2022-09-01","22:32:18",""
"7245410","7.8459","0.0003","14.5336","0.0004","17.8334","0.0004","96.62","0.001","93.222","0.002","101.779","0.002","1970.77","0.1","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H32 K N8 O6 -","- C44 H32 K N8 O6 -","- C88 H64 K2 N16 O12 -","2","1","","Yan, Bingjia; Horton, Peter; Weston, Simon C.; Wedge, Christopher J.; Russell, Andrea E.; Grossel, Martin C.","Architectural diversity in the solid-state behaviour of crown ether and [2.2.2]-cryptand complexes of K+TCNQ•– salts","CrystEngComm","2022","","","","","10.1039/D2CE00773H","","x-ray","0.71075","MoKα","K-L~3~","0.1159","0.0842","","","0.1545","0.1698","","","","","","1.166","","","","has coordinates","277563","2022-09-01","22:32:18",""
"7245411","8.0104","0.0002","36.7367","0.0011","15.8116","0.0004","90","","98.291","0.003","90","","4604.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C96 H92 K2 N24 O12 -","- C96 H92 K2 N24 O12 -","- C192 H184 K4 N48 O24 -","2","0.5","","Yan, Bingjia; Horton, Peter; Weston, Simon C.; Wedge, Christopher J.; Russell, Andrea E.; Grossel, Martin C.","Architectural diversity in the solid-state behaviour of crown ether and [2.2.2]-cryptand complexes of K+TCNQ•– salts","CrystEngComm","2022","","","","","10.1039/D2CE00773H","","x-ray","0.71075","MoKα","K-L~3~","0.1401","0.0688","","","0.1398","0.1632","","","","","","1.017","","","","has coordinates","277563","2022-09-01","22:32:19",""
"7245412","7.9514","0.0002","9.9644","0.0003","16.7703","0.0004","87.136","0.002","79.011","0.002","80.148","0.003","1284.92","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H48 K N12 O6 -","- C56 H48 K N12 O6 -","- C56 H48 K N12 O6 -","1","0.5","","Yan, Bingjia; Horton, Peter; Weston, Simon C.; Wedge, Christopher J.; Russell, Andrea E.; Grossel, Martin C.","Architectural diversity in the solid-state behaviour of crown ether and [2.2.2]-cryptand complexes of K+TCNQ•– salts","CrystEngComm","2022","","","","","10.1039/D2CE00773H","","x-ray","0.71075","MoKα","K-L~3~","0.04","0.035","","","0.0955","0.0979","","","","","","1.053","","","","has coordinates","277563","2022-09-01","22:32:19",""
"7245413","7.7825","0.0001","6.9335","0.0001","14.6928","0.0001","90","","94.847","0.001","90","","789.988","0.016","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","pyrene-TFBQ","","- C11 H5 F2 O -","- C11 H5 F2 O -","- C44 H20 F8 O4 -","4","1","","Gao, Jiaoyang; Guo, Jinjia; Chen, Yi; Deng, Shunlan; Lu, Qidong; Ren, Yuxin; Wang, Xiaoming; Fan, Haibo; Teng, Feng; He, Xuexia; Jiang, Hui; Hu, Peng","The competitive role of C–H⋯X (X = F, O) and π–π interactions in contributing to the degree of charge transfer in organic cocrystals: a case study of heteroatom-free donors with p-fluoranil (FA)","CrystEngComm","2022","","","","","10.1039/D2CE00925K","","x-ray","1.54184","CuKα","","0.0299","0.0279","","","0.0807","0.0826","","","","","","1.083","","","","has coordinates","277564","2022-09-01","22:34:06",""
"7245414","6.6151","0.0001","6.9308","0.0001","18.4853","0.0002","90","","93.482","0.001","90","","845.95","0.02","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","chrysene-TFBQ","","- C12 H6 F2 O -","- C12 H6 F2 O -","- C48 H24 F8 O4 -","4","1","","Gao, Jiaoyang; Guo, Jinjia; Chen, Yi; Deng, Shunlan; Lu, Qidong; Ren, Yuxin; Wang, Xiaoming; Fan, Haibo; Teng, Feng; He, Xuexia; Jiang, Hui; Hu, Peng","The competitive role of C–H⋯X (X = F, O) and π–π interactions in contributing to the degree of charge transfer in organic cocrystals: a case study of heteroatom-free donors with p-fluoranil (FA)","CrystEngComm","2022","","","","","10.1039/D2CE00925K","","x-ray","1.54184","CuKα","","0.0318","0.0299","","","0.0841","0.0859","","","","","","1.047","","","","has coordinates","277564","2022-09-01","22:34:06",""
"7245415","6.67424","0.00004","7.45602","0.00005","17.58647","0.00011","90","","91.9097","0.0006","90","","874.674","0.01","120.01","0.1","120.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","BA-TFBQ","","- C12 H6 F2 O -","- C12 H6 F2 O -","- C48 H24 F8 O4 -","4","2","","Gao, Jiaoyang; Guo, Jinjia; Chen, Yi; Deng, Shunlan; Lu, Qidong; Ren, Yuxin; Wang, Xiaoming; Fan, Haibo; Teng, Feng; He, Xuexia; Jiang, Hui; Hu, Peng","The competitive role of C–H⋯X (X = F, O) and π–π interactions in contributing to the degree of charge transfer in organic cocrystals: a case study of heteroatom-free donors with p-fluoranil (FA)","CrystEngComm","2022","","","","","10.1039/D2CE00925K","","x-ray","1.54184","CuKα","","0.0365","0.0364","","","0.1004","0.1005","","","","","","1.066","","","","has coordinates","277564","2022-09-01","22:34:07",""
"7245416","6.9263","0.0002","14.175","0.0004","17.3722","0.0007","90","","96.986","0.003","90","","1692.95","0.1","120.01","0.1","120.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","triphenylene-TFBQ","","- C24 H12 F4 O2 -","- C24 H12 F4 O2 -","- C96 H48 F16 O8 -","4","1","","Gao, Jiaoyang; Guo, Jinjia; Chen, Yi; Deng, Shunlan; Lu, Qidong; Ren, Yuxin; Wang, Xiaoming; Fan, Haibo; Teng, Feng; He, Xuexia; Jiang, Hui; Hu, Peng","The competitive role of C–H⋯X (X = F, O) and π–π interactions in contributing to the degree of charge transfer in organic cocrystals: a case study of heteroatom-free donors with p-fluoranil (FA)","CrystEngComm","2022","","","","","10.1039/D2CE00925K","","x-ray","1.54184","CuKα","","0.0941","0.0888","","","0.2312","0.2341","","","","","","1.169","","","","has coordinates","277564","2022-09-01","22:34:07",""
"7245417","13.3355","0.0006","7.8283","0.0003","16.6774","0.0008","90","","92.888","0.002","90","","1738.81","0.13","289","2","289","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(1-Ethylimidazolium)2 MnCl4","","- C10 H16 Cl4 Mn N4 -","- C10 H16 Cl4 Mn N4 -","- C40 H64 Cl16 Mn4 N16 -","4","2","","Fu, Hanmei; Jiang, Chunli; Luo, Chunhua; Lin, Hechun; Peng, Hui","Manganese Halide Hybrids with Reversible Luminous Color and Application for White Light-emitting Diode","CrystEngComm","2022","","","","","10.1039/D2CE00883A","","","1.54178","CuKα","","0.0786","0.0702","","","0.1735","0.1815","","","","","","1.272","","","","has coordinates","277565","2022-09-01","22:34:50",""
"7245421","18.8845","0.0007","18.8845","0.0007","10.7786","0.0004","90","","90","","120","","3328.9","0.2","169.99","0.1","169.99","0.1","","","","","","","","3","R -3 :H","-R 3","148","","","","- C5 H6 N6 -","- C5 H6 N6 -","- C90 H108 N108 -","18","1","","Stolar, Tomislav; Alić, Jasna; Lončarić, Ivor; Etter, Martin; Jung, Dahee; Farha, Omar K.; Đilović, Ivica; Meštrović, Ernest; Užarević, Krunoslav","Sustainable solid form screening: mechanochemical control over nucleobase hydrogen-bonded organic framework polymorphism","CrystEngComm","2022","","","","","10.1039/D2CE00668E","","x-ray","1.54184","CuKα","","0.0592","0.0547","","","0.1546","0.1564","","","","","","1.054","","","","has coordinates","277605","2022-09-02","22:41:32",""
"7245422","18.8845","0.0007","18.8845","0.0007","10.7786","0.0004","90","","90","","120","","3328.9","0.2","169.99","0.1","169.99","0.1","","","","","","","","4","R -3 :H","-R 3","148","","","","- C5 H6 N6 O0.33 -","- C5 H6 N6 O0.333167 -","- C90 H108 N108 O5.997 -","18","1","","Stolar, Tomislav; Alić, Jasna; Lončarić, Ivor; Etter, Martin; Jung, Dahee; Farha, Omar K.; Đilović, Ivica; Meštrović, Ernest; Užarević, Krunoslav","Sustainable solid form screening: mechanochemical control over nucleobase hydrogen-bonded organic framework polymorphism","CrystEngComm","2022","","","","","10.1039/D2CE00668E","","x-ray","1.54184","CuKα","","0.0812","0.0754","","","0.2165","0.2189","","","","","","1.105","","","","has coordinates,has disorder","277605","2022-09-02","22:41:32",""
"7245423","10.7265","0.0005","11.3448","0.0002","11.6327","0.0004","109.619","0.003","108.625","0.003","107.919","0.003","1118.77","0.09","169.99","0.1","169.99","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C15 H18 N18 -","- C15 H18 N18 -","- C30 H36 N36 -","2","1","","Stolar, Tomislav; Alić, Jasna; Lončarić, Ivor; Etter, Martin; Jung, Dahee; Farha, Omar K.; Đilović, Ivica; Meštrović, Ernest; Užarević, Krunoslav","Sustainable solid form screening: mechanochemical control over nucleobase hydrogen-bonded organic framework polymorphism","CrystEngComm","2022","","","","","10.1039/D2CE00668E","","x-ray","1.54184","CuKα","","0.0838","0.0804","","","0.2401","0.2466","","","","","","1.095","","","","has coordinates","277605","2022-09-02","22:41:32",""
"7245424","14.97434","0.00081","12.37809","0.00044","6.76487","0.00019","90","","90","","90","","1253.89","0.09","295","","295","","","","","","","","","3","P b c a","-P 2ac 2ab","61","2-aminoadenine","2,6-diaminopurine","","- C5 H6 N6 -","- C5 H6 N6 -","- C40 H48 N48 -","8","1","","Stolar, Tomislav; Alić, Jasna; Lončarić, Ivor; Etter, Martin; Jung, Dahee; Farha, Omar K.; Đilović, Ivica; Meštrović, Ernest; Užarević, Krunoslav","Sustainable solid form screening: mechanochemical control over nucleobase hydrogen-bonded organic framework polymorphism","CrystEngComm","2022","","","","","10.1039/D2CE00668E","powder diffraction","","0.71073","MoKα","","","","","","","","0.023","","1.97","","","","","","","has coordinates","277605","2022-09-02","22:41:33",""
"7245425","18.8851","0.0018","20.5134","0.0019","31.983","0.004","90","","90","","90","","12390","2","100","2","100","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C31 H23 Cl2 N5 O7 Zn2 -","- C31 H23 Cl2 N5 O7 Zn2 -","- C496 H368 Cl32 N80 O112 Zn32 -","16","0.5","","Bazargan, Maryam; Mirzaei, Masoud; Hamid, Abdul Samad; Kafshdar, Zahra Heydaralizadeh; Ziaekhodadadian, Hoda; Mague, Joel T.; Momenzadeh, Elham; Gil, Diego Mauricio; Gomila, Rosa Maria; Frontera, Antonio","On the importance of π-stacking interactions in Zn and Cu complexes bearing pyridine-2,6-dicarboxylic acid N-oxide and N-donor auxiliary ligands","CrystEngComm","2022","","","","","10.1039/D2CE00656A","","","0.71073","Mo–Kα","","0.0334","0.0285","","","0.0791","0.0813","","","","","","1.067","","","","has coordinates,has disorder","277606","2022-09-02","22:43:00",""
"7245426","8.1997","0.0008","8.2594","0.0008","9.3849","0.0009","83.57","0.001","74.962","0.001","64.832","0.001","555.55","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H9 Cu N2 O7 -","- C9 H9 Cu N2 O7 -","- C18 H18 Cu2 N4 O14 -","2","1","","Bazargan, Maryam; Mirzaei, Masoud; Hamid, Abdul Samad; Kafshdar, Zahra Heydaralizadeh; Ziaekhodadadian, Hoda; Mague, Joel T.; Momenzadeh, Elham; Gil, Diego Mauricio; Gomila, Rosa Maria; Frontera, Antonio","On the importance of π-stacking interactions in Zn and Cu complexes bearing pyridine-2,6-dicarboxylic acid N-oxide and N-donor auxiliary ligands","CrystEngComm","2022","","","","","10.1039/D2CE00656A","","","0.71073","MoKα","","0.0277","0.025","","","0.074","0.0746","","","","","","1.161","","","","has coordinates","277606","2022-09-02","22:43:00",""
"7245427","10.9875","0.0002","12.293","0.0002","27.5133","0.0005","90","","90","","90","","3716.2","0.11","125","2","125","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C19 H17 Cu N3 O8 -","- C19 H17 Cu N3 O8 -","- C152 H136 Cu8 N24 O64 -","8","2","","Bazargan, Maryam; Mirzaei, Masoud; Hamid, Abdul Samad; Kafshdar, Zahra Heydaralizadeh; Ziaekhodadadian, Hoda; Mague, Joel T.; Momenzadeh, Elham; Gil, Diego Mauricio; Gomila, Rosa Maria; Frontera, Antonio","On the importance of π-stacking interactions in Zn and Cu complexes bearing pyridine-2,6-dicarboxylic acid N-oxide and N-donor auxiliary ligands","CrystEngComm","2022","","","","","10.1039/D2CE00656A","","","1.54178","CuKα","","0.0274","0.0263","","","0.0737","0.0745","","","","","","1.043","","","","has coordinates","277606","2022-09-02","22:43:01",""
"7245429","8.0159","0.0005","7.6491","0.0006","15.2205","0.0011","90","","94.218","0.006","90","","930.71","0.12","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 Cl2 Co N8 O2 -","- C14 H16 Cl2 Co N8 O2 -","- C28 H32 Cl4 Co2 N16 O4 -","2","0.5","","Wan, Li; Chen, Yunzhou; Zhang, Yuexing; Peng, Xu; Chen, Sihuai; Jia, Lihui","Construction and Structural Transformation of Two Coordination Sphere Supramolecular Isomers Based on Co(II) and 4-(2-Pyridyl)-NH-1,2,3-Triazole via One-Pot Synthesis","CrystEngComm","2022","","","","","10.1039/D2CE01069K","","","0.71073","MoKα","","0.0429","0.0346","","","0.0925","0.104","","","","","","1.05","","","","has coordinates","277613","2022-09-03","22:30:40",""
"7245430","7.0384","0.0008","10.3897","0.0008","12.6776","0.0011","90","","95.857","0.01","90","","922.23","0.15","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 Cl2 Co N8 O2 -","- C14 H16 Cl2 Co N8 O2 -","- C28 H32 Cl4 Co2 N16 O4 -","2","0.5","","Wan, Li; Chen, Yunzhou; Zhang, Yuexing; Peng, Xu; Chen, Sihuai; Jia, Lihui","Construction and Structural Transformation of Two Coordination Sphere Supramolecular Isomers Based on Co(II) and 4-(2-Pyridyl)-NH-1,2,3-Triazole via One-Pot Synthesis","CrystEngComm","2022","","","","","10.1039/D2CE01069K","","","0.71073","MoKα","","0.0326","0.026","","","0.0632","0.0694","","","","","","1.064","","","","has coordinates","277613","2022-09-03","22:30:50",""
"7245431","5.1679","0.0007","10.3878","0.0018","10.5431","0.0014","113.875","0.015","90.888","0.011","99.321","0.012","508.66","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H18 Cu N4 O10 -","- C18 H18 Cu N4 O10 -","- C18 H18 Cu N4 O10 -","1","0.5","","Croitor, Lilia; Coropceanu, Eduard B.; Fonari, Marina S.","Anion–pyridine-n-oxime interplay to control metal–metal separations in a series of Cu(ii) coordination polymers","CrystEngComm","2022","","","","","10.1039/D2CE01000C","","","0.71073","MoKα","","0.0693","0.0493","","","0.1023","0.1115","","","","","","1.05","","","","has coordinates","277614","2022-09-03","22:34:05",""
"7245432","7.0897","0.0005","12.7224","0.0007","17.114","0.0011","90","","90","","90","","1543.65","0.17","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C12 H11 Cl Cu N4 O6 -","- C12 H11 Cl Cu N4 O6 -","- C48 H44 Cl4 Cu4 N16 O24 -","4","0.5","","Croitor, Lilia; Coropceanu, Eduard B.; Fonari, Marina S.","Anion–pyridine-n-oxime interplay to control metal–metal separations in a series of Cu(ii) coordination polymers","CrystEngComm","2022","","","","","10.1039/D2CE01000C","","","0.71073","MoKα","","0.0597","0.035","","","0.0747","0.0859","","","","","","1.02","","","","has coordinates,has disorder","277614","2022-09-03","22:34:16",""
"7245433","8.2351","0.0007","10.7703","0.001","11.2831","0.0009","71.752","0.008","77.454","0.007","74.439","0.008","905.83","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H50 Cu N4 O12 -","- C32 H50 Cu N4 O12 -","- C32 H50 Cu N4 O12 -","1","0.5","","Croitor, Lilia; Coropceanu, Eduard B.; Fonari, Marina S.","Anion–pyridine-n-oxime interplay to control metal–metal separations in a series of Cu(ii) coordination polymers","CrystEngComm","2022","","","","","10.1039/D2CE01000C","","","0.71073","MoKα","","0.0742","0.0524","","","0.0991","0.1104","","","","","","1.026","","","","has coordinates,has disorder","277614","2022-09-03","22:34:17",""
"7245434","8.9697","0.0004","14.8584","0.0005","7.6158","0.0004","90","","102.409","0.005","90","","991.29","0.08","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 Cu N2 O6 -","- C8 H8 Cu N2 O6 -","- C32 H32 Cu4 N8 O24 -","4","1","","Croitor, Lilia; Coropceanu, Eduard B.; Fonari, Marina S.","Anion–pyridine-n-oxime interplay to control metal–metal separations in a series of Cu(ii) coordination polymers","CrystEngComm","2022","","","","","10.1039/D2CE01000C","","","0.71073","MoKα","","0.0465","0.0358","","","0.0859","0.0915","","","","","","1.006","","","","has coordinates","277614","2022-09-03","22:34:18",""
"7245435","15.9487","0.0009","6.1547","0.0004","21.6085","0.001","90","","107.375","0.005","90","","2024.3","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 Cu N4 O7 -","- C18 H22 Cu N4 O7 -","- C72 H88 Cu4 N16 O28 -","4","0.5","","Croitor, Lilia; Coropceanu, Eduard B.; Fonari, Marina S.","Anion–pyridine-n-oxime interplay to control metal–metal separations in a series of Cu(ii) coordination polymers","CrystEngComm","2022","","","","","10.1039/D2CE01000C","","","0.71073","MoKα","","0.0481","0.039","","","0.0901","0.0963","","","","","","1.047","","","","has coordinates","277614","2022-09-03","22:34:24",""
"7245436","7.5251","0.0003","14.0673","0.0006","20.2503","0.0007","90","","90","","90","","2143.65","0.15","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H21 Cu N5 O7 -","- C18 H21 Cu N5 O7 -","- C72 H84 Cu4 N20 O28 -","4","1","","Croitor, Lilia; Coropceanu, Eduard B.; Fonari, Marina S.","Anion–pyridine-n-oxime interplay to control metal–metal separations in a series of Cu(ii) coordination polymers","CrystEngComm","2022","","","","","10.1039/D2CE01000C","","","0.71073","MoKα","","0.0556","0.0416","","","0.0915","0.1","","","","","","0.995","","","","has coordinates","277614","2022-09-03","22:34:40",""
"7245437","7.949","0.0004","14.2074","0.001","8.5744","0.0004","90","","97.604","0.004","90","","959.83","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Cu N4 O6 -","- C18 H20 Cu N4 O6 -","- C36 H40 Cu2 N8 O12 -","2","0.5","","Croitor, Lilia; Coropceanu, Eduard B.; Fonari, Marina S.","Anion–pyridine-n-oxime interplay to control metal–metal separations in a series of Cu(ii) coordination polymers","CrystEngComm","2022","","","","","10.1039/D2CE01000C","","x-ray","0.71073","MoKα","","0.0508","0.0382","","","0.0893","0.0975","","","","","","1.062","","","","has coordinates,has disorder","277614","2022-09-03","22:34:44",""
"7245438","16.1144","0.0006","16.1144","0.0006","16.2242","0.001","90","","90","","90","","4213","0.3","293","2","293","2","","","","","","","","7","P 4/n c c :2","-P 4a 2ac","130","","","","- C27 H32 Cu F6 N9 O5.5 Si -","- C27 H24 Cu F6 N9 O5.5 Si -","- C108 H96 Cu4 F24 N36 O22 Si4 -","4","0.25","","Croitor, Lilia; Coropceanu, Eduard B.; Fonari, Marina S.","Anion–pyridine-n-oxime interplay to control metal–metal separations in a series of Cu(ii) coordination polymers","CrystEngComm","2022","","","","","10.1039/D2CE01000C","","","0.71073","MoKα","","0.1195","0.0636","","","0.1591","0.1875","","","","","","1.037","","","","has coordinates,has disorder","277614","2022-09-03","22:34:58",""
"7245439","8.0458","0.0007","8.4741","0.0006","8.6258","0.0006","84.174","0.006","62.42","0.008","82.413","0.007","516.18","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18.6 H23 Cu N4 O6.9 -","- C18.6 H22.4 Cu N4 O6.9 -","- C18.6 H22.4 Cu N4 O6.9 -","1","0.5","","Croitor, Lilia; Coropceanu, Eduard B.; Fonari, Marina S.","Anion–pyridine-n-oxime interplay to control metal–metal separations in a series of Cu(ii) coordination polymers","CrystEngComm","2022","","","","","10.1039/D2CE01000C","","x-ray","0.71073","MoKα","","0.0446","0.0398","","","0.0995","0.1034","","","","","","1.076","","","","has coordinates,has disorder","277614","2022-09-03","22:35:01",""
"7245440","10.4648","0.0012","17.6569","0.0018","16.962","0.002","90","","96.147","0.011","90","","3116.1","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H31 Cu3 N6 O14.5 -","- C22 H17 Cu3 N6 O14.5 -","- C88 H68 Cu12 N24 O58 -","4","1","","Croitor, Lilia; Coropceanu, Eduard B.; Fonari, Marina S.","Anion–pyridine-n-oxime interplay to control metal–metal separations in a series of Cu(ii) coordination polymers","CrystEngComm","2022","","","","","10.1039/D2CE01000C","","x-ray","0.71073","MoKα","","0.229","0.1645","","","0.3106","0.3441","","","","","","1.087","","","","has coordinates","277614","2022-09-03","22:35:02",""
"7245445","10.9897","0.0003","10.9897","0.0003","5.9946","0.0003","90","","90","","90","","723.99","0.05","293","2","293","2","","","","","","","","4","P 4","P 4","75","","","","- Al Li3 O9.5 P2 -","- Al Li3 O9.5 P2 -","- Al4 Li12 O38 P8 -","4","1","","Li, Xinlei; Zhang, Yang; Pan, Yang; Hao, Yucheng; Lin, Yuan; Li, Haijian; Li, Minghua; Fan, Changzeng; Alekseev, Evgeny V.","Li3[Al(PO4)2(H2O)1.5] and Na[AlP2O7]：from 2D Layered Polar to 3D Centrosymmetric Framework Structures","CrystEngComm","2022","","","","","10.1039/D2CE00994C","","","0.71073","MoKα","","0.0436","0.0429","","","0.1297","0.1325","","","","","","0.809","","","","has coordinates","277693","2022-09-06","22:30:43",""
"7245446","7.396","0.0006","9.7388","0.0007","8.2067","0.0007","90","","106.039","0.009","90","","568.1","0.08","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Al Na O7 P2 -","- Al Na O7 P2 -","- Al4 Na4 O28 P8 -","4","0.5","","Li, Xinlei; Zhang, Yang; Pan, Yang; Hao, Yucheng; Lin, Yuan; Li, Haijian; Li, Minghua; Fan, Changzeng; Alekseev, Evgeny V.","Li3[Al(PO4)2(H2O)1.5] and Na[AlP2O7]：from 2D Layered Polar to 3D Centrosymmetric Framework Structures","CrystEngComm","2022","","","","","10.1039/D2CE00994C","","","0.71073","MoKα","","0.0746","0.0693","","","0.2036","0.2135","","","","","","1.118","","","","has coordinates","277693","2022-09-06","22:30:44",""
"7245447","13.584","0.002","9.6137","0.0012","15.958","0.002","90","","106.26","0.005","90","","2000.6","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 Co N2 O5 -","- C18 H12 Co N2 O5 -","- C72 H48 Co4 N8 O20 -","4","1","","Xie, Wei; Yuan, Yuan; Jiang, Wei; Zhang, Shu-Ran; Xu, Guangjuan; Xu, Yanhong; Su, Zhong-Min","Heterogeneous activation of peroxymonosulfate by stable Co-MOF for efficient degradation of organic dye pollutant","CrystEngComm","2022","","","","","10.1039/D2CE00932C","","","0.71073","MoKα","","0.065","0.0513","","","0.1422","0.1526","","","","","","1.054","","","","has coordinates","277694","2022-09-06","22:31:09",""
"7245448","23.571","0.003","22.245","0.003","23.653","0.003","90","","101.993","0.006","90","","12131","3","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C210 H170 Co8 N4 O42 S8 -","- C210 H170 Co8 N4 O42 S8 -","- C420 H340 Co16 N8 O84 S16 -","2","0.5","","Dworzak, Michael R.; Rowland, Casey A.; Yap, Glenn P. A.; Bloch, Eric D.","Controlling phase in low-nuclearity calixarene-capped porous coordination cages with ligand functionalization","CrystEngComm","2022","","","","","10.1039/D2CE00861K","","","1.54178","CuKα","","0.1292","0.1129","","","0.2567","0.2667","","","","","","1.115","","","","has coordinates,has disorder","277720","2022-09-07","22:44:57",""
"7245449","46.824","0.01","23.576","0.005","40.269","0.009","90","","102.204","0.012","90","","43449","16","120","","120","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C190 H269 N22 Ni6 O54 S8 -","- C142 H157 N6 Ni6 O38 S8 -","- C1136 H1256 N48 Ni48 O304 S64 -","8","1","","Dworzak, Michael R.; Rowland, Casey A.; Yap, Glenn P. A.; Bloch, Eric D.","Controlling phase in low-nuclearity calixarene-capped porous coordination cages with ligand functionalization","CrystEngComm","2022","","","","","10.1039/D2CE00861K","","","1.54178","CuKα","","0.1496","0.1039","","","0.3","0.3344","","","","","","1.052","","","","has coordinates","277720","2022-09-07","22:44:58",""
"7245450","16.457","0.004","16.11","0.004","23.679","0.008","90","","98.337","0.012","90","","6211","3","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H83 Fe N3 O18 S4 -","- C48 H64 Fe N2 O15 S4 -","- C192 H256 Fe4 N8 O60 S16 -","4","1","","Dworzak, Michael R.; Rowland, Casey A.; Yap, Glenn P. A.; Bloch, Eric D.","Controlling phase in low-nuclearity calixarene-capped porous coordination cages with ligand functionalization","CrystEngComm","2022","","","","","10.1039/D2CE00861K","","","1.54178","CuKα","","0.1504","0.1494","","","0.4642","0.4707","","","","","","1.088","","","","has coordinates,has disorder","277720","2022-09-07","22:44:58",""
"7245451","23.513","0.002","22.1099","0.0018","24.667","0.002","90","","102.983","0.004","90","","12495.8","1.8","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C256 H276 N20 Ni8 O58 S8 -","- C214 H178 N6 Ni8 O44 S8 -","- C428 H356 N12 Ni16 O88 S16 -","2","0.5","","Dworzak, Michael R.; Rowland, Casey A.; Yap, Glenn P. A.; Bloch, Eric D.","Controlling phase in low-nuclearity calixarene-capped porous coordination cages with ligand functionalization","CrystEngComm","2022","","","","","10.1039/D2CE00861K","","","1.54178","CuKα","","0.1862","0.1711","","","0.399","0.4068","","","","","","1.165","","","","has coordinates","277720","2022-09-07","22:44:58",""
"7245452","22.514","","22.114","","24.366","","90","","99.54","","90","","11963.4","","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C208 H164 Mn8 N4 O42 S8 -","- C208 H164 Mn8 N4 O42 S8 -","- C416 H328 Mn16 N8 O84 S16 -","2","0.5","","Dworzak, Michael R.; Rowland, Casey A.; Yap, Glenn P. A.; Bloch, Eric D.","Controlling phase in low-nuclearity calixarene-capped porous coordination cages with ligand functionalization","CrystEngComm","2022","","","","","10.1039/D2CE00861K","","","1.54178","CuKα","","0.1815","0.1467","","","0.3197","0.3434","","","","","","1.057","","","","has coordinates","277720","2022-09-07","22:44:58",""
"7245453","13.631","0.0008","19.4305","0.0011","22.666","0.0014","80.495","0.003","88.866","0.003","76.732","0.003","5761.8","0.6","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C236 H236 Mg8 N14 O50 S8 -","- C224 H208 Mg8 N10 O46 S8 -","- C224 H208 Mg8 N10 O46 S8 -","1","0.5","","Dworzak, Michael R.; Rowland, Casey A.; Yap, Glenn P. A.; Bloch, Eric D.","Controlling phase in low-nuclearity calixarene-capped porous coordination cages with ligand functionalization","CrystEngComm","2022","","","","","10.1039/D2CE00861K","","","1.54178","CuKα","","0.1186","0.1115","","","0.2602","0.2641","","","","","","1.072","","","","has coordinates,has disorder","277720","2022-09-07","22:44:58",""
"7245454","7.6295","0.0002","8.7769","0.0005","11.3046","0.0006","101.353","0.002","92.999","0.003","97.446","0.003","733.56","0.06","150","2","150","2","","","","","","","","5","P -1","-P 1","2","Sulfathiazole guanidinium hydrate","Sulfathiazole guanidinium hydrate (1:1:1)","","- C10 H16 N6 O3 S2 -","- C10 H16 N6 O3 S2 -","- C20 H32 N12 O6 S4 -","2","1","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: hydrogen-bond topology and node shape","CrystEngComm","2022","","","","","10.1039/D2CE00964A","","","0.71073","MoKα","","0.0283","0.027","","","0.0698","0.0706","","","","","","1.064","","","","has coordinates","277721","2022-09-07","22:46:08",""
"7245455","10.6023","0.0003","8.1642","0.0002","35.1366","0.0012","90","","90","","90","","3041.4","0.15","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfathiazole, N-methylacetamide solvate","Sulfathiazole, N-methylacetamide (1:1) solvate","","- C12 H16 N4 O3 S2 -","- C12 H16 N4 O3 S2 -","- C96 H128 N32 O24 S16 -","8","1","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: hydrogen-bond topology and node shape","CrystEngComm","2022","","","","","10.1039/D2CE00964A","","","0.71073","MoKα","","0.0755","0.0444","","","0.0995","0.1109","","","","","","1.031","","","","has coordinates,has disorder","277721","2022-09-07","22:46:08",""
"7245459","16.3935","0.0011","7.022","0.0005","23.5881","0.0015","90","","104.313","0.002","90","","2631.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54.31 H48.62 Cl8.62 N4 O4 -","- C54.31 H48.62 Cl8.62 N4 O4 -","- C108.62 H97.24 Cl17.24 N8 O8 -","2","0.5","","Tominaga, Masahide; Hyodo, Tadashi; Mizuno, Kosuke; Kawahata, Masatoshi; Yamaguchi, Kentaro","Water adsorption in porous organic crystals of adamantane-bearing macrocycles","CrystEngComm","2022","","","","","10.1039/D2CE01030E","","","1.54178","CuKα","","0.0639","0.0634","","","0.194","0.1944","","","","","","1.067","","","","has coordinates,has disorder","277735","2022-09-08","22:28:50",""
"7245460","16.326","0.002","7.0749","0.0009","23.55","0.003","90","","105.465","0.003","90","","2621.7","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H54 Cl4 N4 O5 -","- C56 H54 Cl4 N4 O5 -","- C112 H108 Cl8 N8 O10 -","2","0.5","","Tominaga, Masahide; Hyodo, Tadashi; Mizuno, Kosuke; Kawahata, Masatoshi; Yamaguchi, Kentaro","Water adsorption in porous organic crystals of adamantane-bearing macrocycles","CrystEngComm","2022","","","","","10.1039/D2CE01030E","","","1.54178","CuKα","","0.0716","0.064","","","0.2289","0.2478","","","","","","1.267","","","","has coordinates,has disorder","277735","2022-09-08","22:28:51",""
"7245461","16.0547","0.0009","7.0993","0.0005","23.8784","0.0015","90","","103.423","0.003","90","","2647.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H40 Br4 N8 O7.58 -","- C48 H40 Br4 N8 O7.6 -","- C96 H80 Br8 N16 O15.2 -","2","0.5","","Tominaga, Masahide; Hyodo, Tadashi; Mizuno, Kosuke; Kawahata, Masatoshi; Yamaguchi, Kentaro","Water adsorption in porous organic crystals of adamantane-bearing macrocycles","CrystEngComm","2022","","","","","10.1039/D2CE01030E","","","1.54178","CuKα","","0.1861","0.125","","","0.3357","0.3648","","","","","","1.145","","","","has coordinates,has disorder","277735","2022-09-08","22:28:51",""
"7245462","16.0547","0.0009","7.0993","0.0005","23.8784","0.0015","90","","103.423","0.003","90","","2647.2","0.3","100","2","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H40 Br4 N8 O4 -","- C48 H40 Br4 N8 O4 -","- C96 H80 Br8 N16 O8 -","2","0.5","","Tominaga, Masahide; Hyodo, Tadashi; Mizuno, Kosuke; Kawahata, Masatoshi; Yamaguchi, Kentaro","Water adsorption in porous organic crystals of adamantane-bearing macrocycles","CrystEngComm","2022","","","","","10.1039/D2CE01030E","","","1.54178","CuKα","","0.1507","0.1003","","","0.2746","0.2992","","","","","","1.07","","","","has coordinates","277735","2022-09-08","22:28:51",""
"7245463","16.4154","0.0014","7.0285","0.0006","23.505","0.002","90","","105.531","0.004","90","","2612.9","0.4","100","2","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H44 Cl4 N4 O4 -","- C52 H44 Cl4 N4 O4 -","- C104 H88 Cl8 N8 O8 -","2","0.5","","Tominaga, Masahide; Hyodo, Tadashi; Mizuno, Kosuke; Kawahata, Masatoshi; Yamaguchi, Kentaro","Water adsorption in porous organic crystals of adamantane-bearing macrocycles","CrystEngComm","2022","","","","","10.1039/D2CE01030E","","","1.54178","CuKα","","0.0478","0.0383","","","0.1033","0.1076","","","","","","1.084","","","","has coordinates","277735","2022-09-08","22:28:51",""
"7245464","16.08","0.006","6.799","0.005","24.38","0.011","90","","102.86","0.03","90","","2599","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H40 Cl4 N8 O10 -","- C48 H40 Cl4 N8 O10.004 -","- C96 H80 Cl8 N16 O20.008 -","2","0.5","","Tominaga, Masahide; Hyodo, Tadashi; Mizuno, Kosuke; Kawahata, Masatoshi; Yamaguchi, Kentaro","Water adsorption in porous organic crystals of adamantane-bearing macrocycles","CrystEngComm","2022","","","","","10.1039/D2CE01030E","","","1.54184","CuKα","","0.0605","0.0545","","","0.1445","0.1476","","","","","","1.12","","","","has coordinates,has disorder","277735","2022-09-08","22:28:51",""
"7245465","16.4154","0.0014","7.0285","0.0006","23.505","0.002","90","","105.531","0.004","90","","2612.9","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H44 Cl4 N4 O7.64 -","- C52 H44 Cl4 N4 O7.638 -","- C104 H88 Cl8 N8 O15.276 -","2","0.5","","Tominaga, Masahide; Hyodo, Tadashi; Mizuno, Kosuke; Kawahata, Masatoshi; Yamaguchi, Kentaro","Water adsorption in porous organic crystals of adamantane-bearing macrocycles","CrystEngComm","2022","","","","","10.1039/D2CE01030E","","","1.54178","CuKα","","0.0633","0.0512","","","0.1498","0.1586","","","","","","1.05","","","","has coordinates,has disorder","277735","2022-09-08","22:28:51",""
"7245466","16.08","0.006","6.799","0.005","24.38","0.011","90","","102.86","0.03","90","","2599","2","100.15","","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H40 Cl4 N8 O4 -","- C48 H40 Cl4 N8 O4 -","- C96 H80 Cl8 N16 O8 -","2","0.5","","Tominaga, Masahide; Hyodo, Tadashi; Mizuno, Kosuke; Kawahata, Masatoshi; Yamaguchi, Kentaro","Water adsorption in porous organic crystals of adamantane-bearing macrocycles","CrystEngComm","2022","","","","","10.1039/D2CE01030E","","","1.54184","CuKα","","0.0587","0.054","","","0.157","0.16","","","","","","1.076","","","","has coordinates,has disorder","277735","2022-09-08","22:28:51",""
"7245471","6.0309","0.0011","15.898","0.002","17.1914","0.0016","90","","90.932","0.007","90","","1648.1","0.4","293.15","","293.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","benzimidazole","(4-chlorophenyl)(4-hydroxy-4-(trifluoromethyl)-1,4-dihydrobenzo[4,5]imidazo[1,2-a]pyrimidin-3-yl)methanone","","- C18 H11 Cl F3 N3 O2 -","- C18 H11 Cl F3 N3 O2 -","- C72 H44 Cl4 F12 N12 O8 -","4","1","","Orlando, Tainára; Lopes, Leandro C.; Neumann, Darlon A. M.; Andrade, Valquiria P.; Mittersteiner, Mateus; Rocha, Cláudia Q.; Zanatta, Nilo; Bonacorso, Helio G.; Martins, Marcos A. P.; Salbego, Paulo R. S.","Uncovering the origins of supramolecular similarity in a series of benzimidazole structures","CrystEngComm","2022","","","","","10.1039/D2CE00909A","","","1.54178","CuKα","","0.0419","0.0388","","","0.1071","0.1103","","","","","","1.047","","","","has coordinates","277778","2022-09-12","22:36:54",""
"7245472","5.9853","0.0002","15.8708","0.0005","17.1004","0.0006","90","","90.897","0.001","90","","1624.19","0.09","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","benzimidazole","(4-bromophenyl)(4-hydroxy-4-(trifluoromethyl)-1,4-dihydrobenzo[4,5]imidazo[1,2-a]pyrimidin-3-yl)methanone","","- C18 H11 Br F3 N3 O2 -","- C18 H11 Br F3 N3 O2 -","- C72 H44 Br4 F12 N12 O8 -","4","1","","Orlando, Tainára; Lopes, Leandro C.; Neumann, Darlon A. M.; Andrade, Valquiria P.; Mittersteiner, Mateus; Rocha, Cláudia Q.; Zanatta, Nilo; Bonacorso, Helio G.; Martins, Marcos A. P.; Salbego, Paulo R. S.","Uncovering the origins of supramolecular similarity in a series of benzimidazole structures","CrystEngComm","2022","","","","","10.1039/D2CE00909A","","","0.71073","MoKα","","0.0335","0.026","","","0.0565","0.0594","","","","","","1.0342","","","","has coordinates","277778","2022-09-12","22:36:55",""
"7245473","6.0869","0.0003","15.3931","0.0008","17.535","0.0009","90","","92.951","0.002","90","","1640.79","0.14","110.38","","110","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","benzoimidazole","(4-hydroxy-4-(trifluoromethyl)-1,4-dihydrobenzo[4,5]imidazo[1,2-a]pyrimidin-3-yl)(4-methoxyphenyl)methanone","","- C19 H14 F3 N3 O3 -","- C19 H14 F3 N3 O3 -","- C76 H56 F12 N12 O12 -","4","1","","Orlando, Tainára; Lopes, Leandro C.; Neumann, Darlon A. M.; Andrade, Valquiria P.; Mittersteiner, Mateus; Rocha, Cláudia Q.; Zanatta, Nilo; Bonacorso, Helio G.; Martins, Marcos A. P.; Salbego, Paulo R. S.","Uncovering the origins of supramolecular similarity in a series of benzimidazole structures","CrystEngComm","2022","","","","","10.1039/D2CE00909A","","","0.71073","MoKα","","0.0593","0.0459","","","0.1111","0.1199","","","","","","1.0683","","","","has coordinates","277778","2022-09-12","22:36:55",""
"7245474","6.0391","0.0002","15.7043","0.0006","17.1155","0.0006","90","","91.874","0.001","90","","1622.36","0.1","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","benzimidazole","(4-hydroxy-4-(trifluoromethyl)-1,4-dihydrobenzo[4,5]imidazo[1,2-a]pyrimidin-3-yl)(p-tolyl)methanone","","- C19 H14 F3 N3 O2 -","- C19 H14 F3 N3 O2 -","- C76 H56 F12 N12 O8 -","4","1","","Orlando, Tainára; Lopes, Leandro C.; Neumann, Darlon A. M.; Andrade, Valquiria P.; Mittersteiner, Mateus; Rocha, Cláudia Q.; Zanatta, Nilo; Bonacorso, Helio G.; Martins, Marcos A. P.; Salbego, Paulo R. S.","Uncovering the origins of supramolecular similarity in a series of benzimidazole structures","CrystEngComm","2022","","","","","10.1039/D2CE00909A","","","0.71073","MoKα","","0.0502","0.0396","","","0.095","0.1009","","","","","","1.0562","","","","has coordinates","277778","2022-09-12","22:36:55",""
"7245476","7.6215","0.0003","9.4093","0.0003","11.0937","0.0004","78.343","0.001","82.571","0.001","66.452","0.001","713.22","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H13 N O7 Zn -","- C14 H13 N O7 Zn -","- C28 H26 N2 O14 Zn2 -","2","1","","He, Yuan-Chun; Wu, Shuang; Zhang, Jie; Qin, Wen-Hui; Liu, Jing; Zhao, Fang-Hua; Liu, Lin; Jing, Zhihong","Syntheses, structures, and luminescence properties of five new coordination polymers based on 3-carboxy-1-(3′-carboxybenzyl)-2-oxidopyridinium and neutral ligands","CrystEngComm","2022","","","","","10.1039/D2CE00921H","","","0.71073","MoKα","","0.0203","0.0185","","","0.0486","0.0491","","","","","","1.077","","","","has coordinates","277817","2022-09-13","22:33:41",""
"7245477","22.8351","0.0004","15.4202","0.0003","9.6337","0.0002","90","","90","","90","","3392.24","0.11","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C38 H26 N4 O10 Zn2 -","- C38 H26 N4 O10 Zn2 -","- C152 H104 N16 O40 Zn8 -","4","0.5","","He, Yuan-Chun; Wu, Shuang; Zhang, Jie; Qin, Wen-Hui; Liu, Jing; Zhao, Fang-Hua; Liu, Lin; Jing, Zhihong","Syntheses, structures, and luminescence properties of five new coordination polymers based on 3-carboxy-1-(3′-carboxybenzyl)-2-oxidopyridinium and neutral ligands","CrystEngComm","2022","","","","","10.1039/D2CE00921H","","","0.71073","MoKα","","0.0452","0.0277","","","0.0616","0.0688","","","","","","1.036","","","","has coordinates","277817","2022-09-13","22:33:42",""
"7245478","31.1984","0.0017","7.5749","0.0004","18.5912","0.001","90","","103.223","0.002","90","","4277.1","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H19 N3 O6 Zn -","- C24 H19 N3 O6 Zn -","- C192 H152 N24 O48 Zn8 -","8","1","","He, Yuan-Chun; Wu, Shuang; Zhang, Jie; Qin, Wen-Hui; Liu, Jing; Zhao, Fang-Hua; Liu, Lin; Jing, Zhihong","Syntheses, structures, and luminescence properties of five new coordination polymers based on 3-carboxy-1-(3′-carboxybenzyl)-2-oxidopyridinium and neutral ligands","CrystEngComm","2022","","","","","10.1039/D2CE00921H","","","0.71073","MoKα","","0.0271","0.0236","","","0.0616","0.0636","","","","","","1.029","","","","has coordinates","277817","2022-09-13","22:33:42",""
"7245479","10.0832","0.0003","10.6327","0.0004","11.3485","0.0003","93.508","0.001","106.005","0.001","113.333","0.001","1053.68","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H17 Cd N3 O5 -","- C24 H17 Cd N3 O5 -","- C48 H34 Cd2 N6 O10 -","2","1","","He, Yuan-Chun; Wu, Shuang; Zhang, Jie; Qin, Wen-Hui; Liu, Jing; Zhao, Fang-Hua; Liu, Lin; Jing, Zhihong","Syntheses, structures, and luminescence properties of five new coordination polymers based on 3-carboxy-1-(3′-carboxybenzyl)-2-oxidopyridinium and neutral ligands","CrystEngComm","2022","","","","","10.1039/D2CE00921H","","","0.71073","MoKα","","0.0216","0.0196","","","0.0512","0.0523","","","","","","1.105","","","","has coordinates","277817","2022-09-13","22:33:42",""
"7245480","32.549","0.003","7.6144","0.0006","18.9947","0.0014","90","","104.521","0.002","90","","4557.3","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H19 Cd N3 O6 -","- C26 H19 Cd N3 O6 -","- C208 H152 Cd8 N24 O48 -","8","1","","He, Yuan-Chun; Wu, Shuang; Zhang, Jie; Qin, Wen-Hui; Liu, Jing; Zhao, Fang-Hua; Liu, Lin; Jing, Zhihong","Syntheses, structures, and luminescence properties of five new coordination polymers based on 3-carboxy-1-(3′-carboxybenzyl)-2-oxidopyridinium and neutral ligands","CrystEngComm","2022","","","","","10.1039/D2CE00921H","","","0.71073","MoKα","","0.0201","0.0192","","","0.0519","0.0525","","","","","","1.056","","","","has coordinates","277817","2022-09-13","22:33:42",""
"7245481","16.6814","0.0008","18.4271","0.0009","20.884","0.001","106.146","0.002","102.283","0.002","101.556","0.002","5790.3","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H66 Br6 Er N3 -","- C60 H66 Br6 Er N3 -","- C240 H264 Br24 Er4 N12 -","4","2","","Long, Jérôme; Lyubov, Dmitry; Kissel, Alexander; Gogolev, Ilia A.; Tyutyunov, Andrey A.; Nelyubina, Yulia V.; Salles, Fabrice; Guari, Yannick; Cherkasov, Anton; Larionova, Joulia; Trifonov, Alexander","Effect on the geometry over the slow relaxation of the magnetization in a series of Erbium(III) complexes based on halogenated ligands.","CrystEngComm","2022","","","","","10.1039/D2CE00856D","","","0.71073","MoKα","","0.0898","0.0531","","","0.0924","0.1039","","","","","","1.055","","","","has coordinates,has disorder","277848","2022-09-14","22:29:03",""
"7245482","18.885","0.012","18.885","0.012","28.24","0.02","90","","90","","120","","8722","10","120","","120","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C63 H45 Er F18 O5.02 P2 -","- C63 H45 Er F18 O5.0233 P2 -","- C378 H270 Er6 F108 O30.1398 P12 -","6","0.333333","","Long, Jérôme; Lyubov, Dmitry; Kissel, Alexander; Gogolev, Ilia A.; Tyutyunov, Andrey A.; Nelyubina, Yulia V.; Salles, Fabrice; Guari, Yannick; Cherkasov, Anton; Larionova, Joulia; Trifonov, Alexander","Effect on the geometry over the slow relaxation of the magnetization in a series of Erbium(III) complexes based on halogenated ligands.","CrystEngComm","2022","","","","","10.1039/D2CE00856D","","","0.71073","MoKα","","0.2037","0.108","","","0.2474","0.3017","","","","","","1.055","","","","has coordinates,has disorder","277848","2022-09-14","22:29:06",""
"7245483","15.7102","0.0003","15.8031","0.0003","18.5149","0.0003","90","","92.749","0.001","90","","4591.4","0.14","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H46 Cl3 Er F6 O5 -","- C50 H46 Cl3 Er F6 O5 -","- C200 H184 Cl12 Er4 F24 O20 -","4","1","","Long, Jérôme; Lyubov, Dmitry; Kissel, Alexander; Gogolev, Ilia A.; Tyutyunov, Andrey A.; Nelyubina, Yulia V.; Salles, Fabrice; Guari, Yannick; Cherkasov, Anton; Larionova, Joulia; Trifonov, Alexander","Effect on the geometry over the slow relaxation of the magnetization in a series of Erbium(III) complexes based on halogenated ligands.","CrystEngComm","2022","","","","","10.1039/D2CE00856D","","","0.71073","MoKα","","0.0342","0.0256","","","0.0554","0.0586","","","","","","1.013","","","","has coordinates,has disorder","277848","2022-09-14","22:29:06",""
"7245484","12.326","0.004","19.924","0.007","22.015","0.008","79.645","0.008","76.492","0.008","89.899","0.008","5167","3","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C51 H27 Er F30 O6 -","- C51 H27 Er F30 O6 -","- C204 H108 Er4 F120 O24 -","4","2","","Long, Jérôme; Lyubov, Dmitry; Kissel, Alexander; Gogolev, Ilia A.; Tyutyunov, Andrey A.; Nelyubina, Yulia V.; Salles, Fabrice; Guari, Yannick; Cherkasov, Anton; Larionova, Joulia; Trifonov, Alexander","Effect on the geometry over the slow relaxation of the magnetization in a series of Erbium(III) complexes based on halogenated ligands.","CrystEngComm","2022","","","","","10.1039/D2CE00856D","","","0.71073","MoKα","","0.1632","0.1258","","","0.3244","0.3648","","","","","","1.258","","","","has coordinates","277848","2022-09-14","22:29:08",""
"7245485","12.3834","0.0003","13.1486","0.0003","45.3406","0.0012","90","","93.026","0.001","90","","7372.3","0.3","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C82 H65 Er F15 O7 P3 -","- C82 H65 Er F15 O7 P3 -","- C328 H260 Er4 F60 O28 P12 -","4","1","","Long, Jérôme; Lyubov, Dmitry; Kissel, Alexander; Gogolev, Ilia A.; Tyutyunov, Andrey A.; Nelyubina, Yulia V.; Salles, Fabrice; Guari, Yannick; Cherkasov, Anton; Larionova, Joulia; Trifonov, Alexander","Effect on the geometry over the slow relaxation of the magnetization in a series of Erbium(III) complexes based on halogenated ligands.","CrystEngComm","2022","","","","","10.1039/D2CE00856D","","","0.71073","MoKα","","0.0796","0.0722","","","0.1446","0.1482","","","","","","1.23","","","","has coordinates,has disorder","277848","2022-09-14","22:29:17",""
"7245486","14.1582","0.0002","14.7759","0.0003","14.9206","0.0003","70.4003","0.001","73.135","0.0011","69.4031","0.0011","2699.64","0.09","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H67 N12 O28 P5 -","- C36 H67 N12 O28 P5 -","- C72 H134 N24 O56 P10 -","2","1","","Bowman-James, Kristin; Pramanik, Subhamay; Day, Victor W.; Thordarson, Pall","Oligomeric phosphate clusters in macrocyclic channels","CrystEngComm","2022","","","","","10.1039/D2CE00756H","","","1.54178","CuKα","","0.0654","0.043","","","0.1059","0.1181","","","","","","1.037","","","","has coordinates,has disorder","277849","2022-09-14","22:30:09",""
"7245487","7.848","0.009","9.214","0.011","11.37","0.02","105.48","0.03","103.44","0.03","106.57","0.02","715.8","1.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H10 N O9 Zn -","- C14 H6 N O9 Zn -","- C28 H12 N2 O18 Zn2 -","2","1","","Zhao, Qiang; Li, Qi-yang; Li, Jing","Structures, fluorescence and magnetism of a series of coordination polymers driven by a tricarboxypyridine ligand","CrystEngComm","2022","","","","","10.1039/D2CE00726F","","","0.71073","MoKα","","0.143","0.0963","","","0.271","0.3176","","","","","","1.084","","","","has coordinates","277850","2022-09-14","22:31:49",""
"7245488","32.038","0.01","15.044","0.005","9.632","0.003","90","","94.159","0.006","90","","4630","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H50 Co3 N2 O33 -","- C28 H12 Co3 N2 O33 -","- C112 H48 Co12 N8 O132 -","4","0.5","","Zhao, Qiang; Li, Qi-yang; Li, Jing","Structures, fluorescence and magnetism of a series of coordination polymers driven by a tricarboxypyridine ligand","CrystEngComm","2022","","","","","10.1039/D2CE00726F","","","0.71073","MoKα","","0.0955","0.0778","","","0.2394","0.2591","","","","","","1.093","","","","has coordinates","277850","2022-09-14","22:31:50",""
"7245489","8.227","0.01","8.728","0.01","11.188","0.013","79.03","0.02","89.812","0.019","61.892","0.015","692.2","1.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 Cd N2 O16 -","- C28 H12 Cd N2 O16 -","- C28 H12 Cd N2 O16 -","1","0.5","","Zhao, Qiang; Li, Qi-yang; Li, Jing","Structures, fluorescence and magnetism of a series of coordination polymers driven by a tricarboxypyridine ligand","CrystEngComm","2022","","","","","10.1039/D2CE00726F","","","0.71073","MoKα","","0.1239","0.1106","","","0.2578","0.276","","","","","","1.079","","","","has coordinates","277850","2022-09-14","22:31:50",""
"7245490","7.8843","0.0017","8.4605","0.0017","11.499","0.003","77.292","0.005","70.241","0.003","72.421","0.003","682.2","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H9 Cd N O8 -","- C14 H9 Cd N O8 -","- C28 H18 Cd2 N2 O16 -","2","1","","Zhao, Qiang; Li, Qi-yang; Li, Jing","Structures, fluorescence and magnetism of a series of coordination polymers driven by a tricarboxypyridine ligand","CrystEngComm","2022","","","","","10.1039/D2CE00726F","","","0.71073","MoKα","","0.03","0.027","","","0.0703","0.0717","","","","","","1.038","","","","has coordinates","277850","2022-09-14","22:31:51",""
"7245491","8.122","0.008","8.508","0.008","10.995","0.01","78.291","0.015","88.781","0.016","61.903","0.013","653.9","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 Fe N2 O16 -","- C28 H12 Fe N2 O16 -","- C28 H12 Fe N2 O16 -","1","0.5","","Zhao, Qiang; Li, Qi-yang; Li, Jing","Structures, fluorescence and magnetism of a series of coordination polymers driven by a tricarboxypyridine ligand","CrystEngComm","2022","","","","","10.1039/D2CE00726F","","","0.71073","MoKα","","0.0511","0.0444","","","0.1315","0.1422","","","","","","1.059","","","","has coordinates","277850","2022-09-14","22:31:51",""
"7245492","10.357","0.006","22.994","0.013","10.112","0.006","90","","110.623","0.009","90","","2254","2","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H34 Mn2 N6 O16 -","- C52 H34 Mn2 N6 O16 -","- C104 H68 Mn4 N12 O32 -","2","0.5","","Zhao, Qiang; Li, Qi-yang; Li, Jing","Structures, fluorescence and magnetism of a series of coordination polymers driven by a tricarboxypyridine ligand","CrystEngComm","2022","","","","","10.1039/D2CE00726F","","","0.71073","MoKα","","0.1147","0.0803","","","0.217","0.2432","","","","","","1.083","","","","has coordinates","277850","2022-09-14","22:31:51",""
"7245493","8.13","0.003","8.482","0.003","11.025","0.004","78.243","0.006","88.144","0.006","61.759","0.006","653.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 Co N2 O16 -","- C28 H12 Co N2 O16 -","- C28 H12 Co N2 O16 -","1","0.5","","Zhao, Qiang; Li, Qi-yang; Li, Jing","Structures, fluorescence and magnetism of a series of coordination polymers driven by a tricarboxypyridine ligand","CrystEngComm","2022","","","","","10.1039/D2CE00726F","","","0.71073","MoKα","","0.0679","0.054","","","0.1487","0.1709","","","","","","1.095","","","","has coordinates","277850","2022-09-14","22:31:52",""
"7245494","7.89","0.01","12.45","0.016","14","0.02","103.26","0.03","106.01","0.02","103.516","0.019","1220","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H19 Co N3 O9 -","- C26 H14 Co N3 O9 -","- C52 H28 Co2 N6 O18 -","2","1","","Zhao, Qiang; Li, Qi-yang; Li, Jing","Structures, fluorescence and magnetism of a series of coordination polymers driven by a tricarboxypyridine ligand","CrystEngComm","2022","","","","","10.1039/D2CE00726F","","","0.71073","MoKα","","0.1315","0.0695","","","0.1702","0.2175","","","","","","1.001","","","","has coordinates","277850","2022-09-14","22:31:52",""
"7245498","16.9257","0.0004","12.3615","0.0003","7.6799","0.0002","90","","91.951","0.002","90","","1605.91","0.07","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H18 Ca N2 O9 -","- C12 H18 Ca N2 O9 -","- C48 H72 Ca4 N8 O36 -","4","0.5","","Karimi Alavijeh, Roya; Akhbari, Kamran; White, Jonathan","A Ca-Based Nano Bio-Coordination Polymer Providing Reversible Structural Conversion with Ability to Enhancing Cytotoxicity of Curcumin and Inducing Apoptosis in Human Gastric Cancer AGS Cells","CrystEngComm","2022","","","","","10.1039/D2CE01258H","","x-ray","0.71073","MoKα","","0.0342","0.031","","","0.0875","0.0897","","","","","","1.005","","","","has coordinates","277960","2022-09-18","22:34:39",""
"7245499","8.981","0.0018","16.792","0.003","8.986","0.0018","90","","119.47","0.03","90","","1179.8","0.5","100","0.2","100","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 Ca N2 O4 -","- C12 H8 Ca N2 O4 -","- C48 H32 Ca4 N8 O16 -","4","1","","Karimi Alavijeh, Roya; Akhbari, Kamran; White, Jonathan","A Ca-Based Nano Bio-Coordination Polymer Providing Reversible Structural Conversion with Ability to Enhancing Cytotoxicity of Curcumin and Inducing Apoptosis in Human Gastric Cancer AGS Cells","CrystEngComm","2022","","","","","10.1039/D2CE01258H","","","0.710918","Synchrotron","","0.0402","0.0385","","","0.1116","0.1135","","","","","","1.094","","","","has coordinates","277960","2022-09-18","22:34:39",""
"7245500","21.4031","0.0005","27.8054","0.0006","9.7334","0.0002","90","","91.11","0.002","90","","5791.5","0.2","273","2","273.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C68 H46 N4 -","- C68 H46 N4 -","- C272 H184 N16 -","4","1","","Zhang, Yuzhu; Tang, Fang; He, Xuan; Wang, Chengyuan; Kong, Lin; Yang, Jiaxiang; Ding, Aixiang","Imidazole-based AIEgens for highly sensitive and selective detection of picric acid","CrystEngComm","2022","","","","","10.1039/D2CE00953F","","","1.54178","CuKα","","0.1259","0.0763","","","0.2052","0.2524","","","","","","0.991","","","","has coordinates","277962","2022-09-18","22:35:40",""
"7245501","14.498","","14.504","","17.761","","84.51","","79.25","","61.42","","3222.04","","297","","297","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H26 N6 O10 Zn2 -","- C40 H26 N6 O10 Zn2 -","- C80 H52 N12 O20 Zn4 -","2","1","","Qin, Bowen; Zhang, Xiaoying; Dang, Jiangyan; Yue, Dan; Zhang, Bing; Li, Weidong; Gahungu, Godefroid; Wang, Zhenling; Zhang, Jingping","A 2-fold interpenetrated zinc-organic framework with triazole sites: luminescent sensing of Fe3+ and Cr2O72-, and warm white-light emission by Ln3+ ions encapsulated","CrystEngComm","2022","","","","","10.1039/D2CE00816E","","","0.71073","MoKα","","0.0795","0.0538","","","0.1447","0.1681","","","","","","1.045","","","","has coordinates,has disorder","277963","2022-09-18","22:36:35",""
"7245502","12.6744","0.0002","23.0269","0.0003","8.4804","0.0001","90","","103.198","0.002","90","","2409.65","0.06","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H19 Br N2 O4 S2 -","- C28 H19 Br N2 O4 S2 -","- C112 H76 Br4 N8 O16 S8 -","4","1","","George, Gary C.; Unruh, Daniel K.; Hutchins, Kristin M.","Use of a Diels–Alder reaction to modify thermal expansion properties in charge-transfer cocrystals","CrystEngComm","2022","","","","","10.1039/D2CE01207C","","x-ray","1.54184","CuKα","","0.0681","0.0624","","","0.1329","0.136","","","","","","1.108","","","","has coordinates,has disorder","277964","2022-09-18","22:36:58",""
"7245503","12.806","0.002","16.361","0.003","17.171","0.003","90","","90","","90","","3597.7","1.1","213","2","213","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C18 H40 Cl Fe N10 S6 -","- C18 H40 Cl Fe N10 S6 -","- C72 H160 Cl4 Fe4 N40 S24 -","4","0.5","","Wang, Ping; Chen, Ming-Kun; Tong, Yu-Qiao; Yin, Shi-Qing; Huang, Bo","Structural phase transition and dielectric relaxation in an organic-inorganic hybrid compound: [(CH3)3NH]4[Fe(SCN)6]Cl","CrystEngComm","2022","","","","","10.1039/D2CE01150F","","","0.71075","MoKα","","0.1668","0.0805","","","0.2031","0.2632","","","","","","1.058","","","","has coordinates,has disorder","277965","2022-09-18","22:37:23",""
"7245507","7.0825","0.0007","12.654","0.0011","17.5329","0.0015","90","","95.762","0.002","90","","1563.4","0.2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1,5-Diaminopentane acidephtalique;","1,5-Pentanediamine acidephtalique;1,5-Pentanediamine 1,2-phthalicacid","","- C13 H24 N2 O6 -","- C13 H24 N2 O6 -","- C52 H96 N8 O24 -","4","1","","Li, Zihan; Fang, Xincao; Yang, Pengpeng; Li, Shushu; Wen, Qingshi; Zhuang, Wei; Wu, Jianglan; Zhu, Chenjie; Ying, Hanjie","Discovering Crystal Forms of the Bio-based Nylon 5O Monomer 1,5-pentanediamine-O-phthalate: Insight into the Crystal Structures, Transformations and Stability","CrystEngComm","2022","","","","","10.1039/D2CE00628F","","","0.71073","MoKα","","0.1043","0.0513","","","0.0979","0.1122","","","","","","1.053","","","","has coordinates","277984","2022-09-19","22:26:20",""
"7245508","11.6407","0.0009","10.0447","0.0008","14.8138","0.0012","90","","108.974","0.004","90","","1638","0.2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1,5-Pentanediamine1,2-dicarboxybenzene; 1,2-dicarboxybenzene acidephtalique","1,5-Pentanediamine 1,2-phthalicacid","","- C13 H26 N2 O7 -","- C13 H26 N2 O7 -","- C52 H104 N8 O28 -","4","1","","Li, Zihan; Fang, Xincao; Yang, Pengpeng; Li, Shushu; Wen, Qingshi; Zhuang, Wei; Wu, Jianglan; Zhu, Chenjie; Ying, Hanjie","Discovering Crystal Forms of the Bio-based Nylon 5O Monomer 1,5-pentanediamine-O-phthalate: Insight into the Crystal Structures, Transformations and Stability","CrystEngComm","2022","","","","","10.1039/D2CE00628F","","","0.71073","MoKα","","0.095","0.0482","","","0.1034","0.1204","","","","","","1.075","","","","has coordinates","277984","2022-09-19","22:26:21",""
"7245509","9.6089","0.0009","8.0476","0.0008","19.0084","0.0017","90","","101.378","0.003","90","","1441","0.2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1,5-pentanediamine 1,2-dicarboxybenzene?1,5-diaminopentane 1,2-phthalicacid","1,5-pentanediamine 1,2-phthalicacid","","- C13 H22 N2 O5 -","- C13 H22 N2 O5 -","- C52 H88 N8 O20 -","4","1","","Li, Zihan; Fang, Xincao; Yang, Pengpeng; Li, Shushu; Wen, Qingshi; Zhuang, Wei; Wu, Jianglan; Zhu, Chenjie; Ying, Hanjie","Discovering Crystal Forms of the Bio-based Nylon 5O Monomer 1,5-pentanediamine-O-phthalate: Insight into the Crystal Structures, Transformations and Stability","CrystEngComm","2022","","","","","10.1039/D2CE00628F","","","0.71073","MoKα","","0.1249","0.0749","","","0.1969","0.2166","","","","","","1.008","","","","has coordinates","277984","2022-09-19","22:26:21",""
"7245510","11.3309","0.0009","12.4114","0.0011","14.7248","0.0012","90","","90.451","0.002","90","","2070.7","0.3","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","1,5-Diaminopentane 1,2-phthalicacid?1,5-Pentanediamineacidephtalique","1,5-Pentanediamine1,2-phthalicacid","","- C21 H26 N2 O8 -","- C21 H26 N2 O8 -","- C84 H104 N8 O32 -","4","1","","Li, Zihan; Fang, Xincao; Yang, Pengpeng; Li, Shushu; Wen, Qingshi; Zhuang, Wei; Wu, Jianglan; Zhu, Chenjie; Ying, Hanjie","Discovering Crystal Forms of the Bio-based Nylon 5O Monomer 1,5-pentanediamine-O-phthalate: Insight into the Crystal Structures, Transformations and Stability","CrystEngComm","2022","","","","","10.1039/D2CE00628F","","","0.71073","MoKα","","0.0433","0.0381","","","0.0974","0.0999","","","","","","1.081","","","","has coordinates","277984","2022-09-19","22:26:21",""
"7245511","15.2457","0.0012","18.4249","0.0014","8.4299","0.0006","90","","110.73","0.005","90","","2214.7","0.3","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,5-pentanediamine-o-Phthalic acid salt; 1,5-pentanediamine-1,2-Phthalic acid salt","","- C21 H26 N2 O8 -","- C21 H26 N2 O8 -","- C84 H104 N8 O32 -","4","0.5","","Li, Zihan; Fang, Xincao; Yang, Pengpeng; Li, Shushu; Wen, Qingshi; Zhuang, Wei; Wu, Jianglan; Zhu, Chenjie; Ying, Hanjie","Discovering Crystal Forms of the Bio-based Nylon 5O Monomer 1,5-pentanediamine-O-phthalate: Insight into the Crystal Structures, Transformations and Stability","CrystEngComm","2022","","","","","10.1039/D2CE00628F","","","0.71073","MoKα","","0.1097","0.0592","","","0.1257","0.1397","","","","","","1.028","","","","has coordinates","277984","2022-09-19","22:26:22",""
"7245512","9.4676","0.0008","11.6199","0.0009","14.6569","0.0011","90.349","0.001","99.391","0.002","109.501","0.003","1496.4","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","1,5-Diaminopentane 1,2-phthalicacid?1,5-Pentanediamine1,2-dicarboxybenzene","1,5-Pentanediamine 1,2-phthalicacid","","- C27 H44 N4 O9 -","- C27 H44 N4 O9 -","- C54 H88 N8 O18 -","2","1","","Li, Zihan; Fang, Xincao; Yang, Pengpeng; Li, Shushu; Wen, Qingshi; Zhuang, Wei; Wu, Jianglan; Zhu, Chenjie; Ying, Hanjie","Discovering Crystal Forms of the Bio-based Nylon 5O Monomer 1,5-pentanediamine-O-phthalate: Insight into the Crystal Structures, Transformations and Stability","CrystEngComm","2022","","","","","10.1039/D2CE00628F","","","0.71073","MoKα","","0.0832","0.0572","","","0.1574","0.1737","","","","","","1.034","","","","has coordinates,has disorder","277984","2022-09-19","22:26:22",""
"7245513","11.555","0.007","19.054","0.012","23.235","0.016","90","","96.281","0.014","90","","5085","6","300","2","300","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2","","- C44 H54 Gd N5 O16 P2 -","- C44 H54 Gd N5 O16 P2 -","- C176 H216 Gd4 N20 O64 P8 -","4","0.5","","Huang, Xin-Da; Sun, Guo-Bin; Chen, Yi-Qing; Wen, Ge-Hua; Bao, Song-Song; Zheng, Li-Min","Photoresponsive gadolinium–anthracene complexes: tuning the orientation and π–π stacking of anthracene groups via alkyl ester substituents of phosphonate ligands","CrystEngComm","2022","","","","","10.1039/D2CE01012G","","","0.71073","MoKα","","0.0775","0.0543","","","0.1312","0.1449","","","","","","1.036","","","","has coordinates,has disorder","278013","2022-09-20","22:33:52",""
"7245514","10.9046","0.0019","11.0745","0.0018","23.236","0.004","87.693","0.005","88.109","0.005","61.649","0.005","2467.2","0.7","260","2","260","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H54 Gd N5 O16 P2 -","- C44 H54 Gd N5 O16 P2 -","- C88 H108 Gd2 N10 O32 P4 -","2","1","","Huang, Xin-Da; Sun, Guo-Bin; Chen, Yi-Qing; Wen, Ge-Hua; Bao, Song-Song; Zheng, Li-Min","Photoresponsive gadolinium–anthracene complexes: tuning the orientation and π–π stacking of anthracene groups via alkyl ester substituents of phosphonate ligands","CrystEngComm","2022","","","","","10.1039/D2CE01012G","","","0.71073","MoKα","","0.0578","0.0439","","","0.1053","0.1132","","","","","","1.035","","","","has coordinates","278013","2022-09-20","22:33:52",""
"7245515","9.8914","0.0006","10.6271","0.0007","24.508","0.0014","81.722","0.002","80.06","0.002","63.522","0.002","2264.8","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","1","","- C40 H46 Gd N5 O16 P2 -","- C40 H46 Gd N5 O16 P2 -","- C80 H92 Gd2 N10 O32 P4 -","2","1","","Huang, Xin-Da; Sun, Guo-Bin; Chen, Yi-Qing; Wen, Ge-Hua; Bao, Song-Song; Zheng, Li-Min","Photoresponsive gadolinium–anthracene complexes: tuning the orientation and π–π stacking of anthracene groups via alkyl ester substituents of phosphonate ligands","CrystEngComm","2022","","","","","10.1039/D2CE01012G","","","0.71073","MoKα","","0.065","0.0485","","","0.1011","0.1075","","","","","","1.054","","","","has coordinates","278013","2022-09-20","22:33:52",""
"7245516","10.0234","0.0008","11.1948","0.0009","13.8853","0.0011","112.863","0.003","91.382","0.003","111.73","0.003","1307.71","0.19","300","2","300","2","","","","","","","","6","P 1","P 1","1","","3","","- C48 H62 Gd N5 O16 P2 -","- C48 H62 Gd N5 O16 P2 -","- C48 H62 Gd N5 O16 P2 -","1","1","","Huang, Xin-Da; Sun, Guo-Bin; Chen, Yi-Qing; Wen, Ge-Hua; Bao, Song-Song; Zheng, Li-Min","Photoresponsive gadolinium–anthracene complexes: tuning the orientation and π–π stacking of anthracene groups via alkyl ester substituents of phosphonate ligands","CrystEngComm","2022","","","","","10.1039/D2CE01012G","","","0.71073","MoKα","","0.0364","0.0354","","","0.0628","0.0634","","","","","","1.136","","","","has coordinates","278013","2022-09-20","22:33:53",""
"7245517","25.4704","0.0004","10.9922","0.0001","14.0786","0.0002","90","","92.336","0.001","90","","3938.39","0.09","193","2","193","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H13 Cd2 O9.5 -","- C22 H10 Cd2 O9.5 -","- C176 H80 Cd16 O76 -","8","1","","Dong, Xiuyan; duqingcuo, li; Li, Yuyan; Sakiyama, Hiroshi; Muddassir, Mohd.; Pan, Ying; Srivastava, Devyani; Kumar, Abhinav","3,8-connected Cd(II)-based metal-organic framework as an apt luminescent sensor for antibiotic sulfasalazine","CrystEngComm","2022","","","","","10.1039/D2CE01079H","","","1.34139","GaKα","","0.1206","0.1098","","","0.2723","0.279","","","","","","1.107","","","","has coordinates,has disorder","278051","2022-09-21","22:28:09",""
"7245529","11.8867","0.001","10.7984","0.0011","14.7513","0.0011","90","","91.235","0.007","90","","1893","0.3","170","2","170","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 F12 I2 -","- C18 F12 I2 -","- C72 F48 I8 -","4","1","","Stoesser, Julian; Engelage, Elric; Huber, Stefan","Co-crystallization studies of the syn- and anti-atropisomers of triphenyl-based perfluorinated halogen bond donors with halides","CrystEngComm","2022","","","","","10.1039/D2CE00973K","","x-ray","0.71073","MoKα","","0.0551","0.0448","","","0.1107","0.1208","","","","","","1.035","","","","has coordinates","278090","2022-09-22","22:37:52",""
"7245530","7.6232","0.0009","8.0459","0.0007","15.3895","0.0017","90","","101.119","0.011","90","","926.2","0.17","170","2","170","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 F12 I2 -","- C18 F12 I2 -","- C36 F24 I4 -","2","0.5","","Stoesser, Julian; Engelage, Elric; Huber, Stefan","Co-crystallization studies of the syn- and anti-atropisomers of triphenyl-based perfluorinated halogen bond donors with halides","CrystEngComm","2022","","","","","10.1039/D2CE00973K","","","0.7107","MoKα","","0.0537","0.04","","","0.1024","0.1135","","","","","","1.111","","","","has coordinates","278090","2022-09-22","22:37:53",""
"7245531","7.8296","0.0001","12.4477","0.0002","23.1195","0.0002","76.301","0.001","81.955","0.001","88.107","0.001","2167.6","0.05","170","2","169.99","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C74 H40 Br2 Cl4 F36 I6 N6 -","- C74 H40 Br2 Cl4 F36 I6 N6 -","- C74 H40 Br2 Cl4 F36 I6 N6 -","1","0.5","","Stoesser, Julian; Engelage, Elric; Huber, Stefan","Co-crystallization studies of the syn- and anti-atropisomers of triphenyl-based perfluorinated halogen bond donors with halides","CrystEngComm","2022","","","","","10.1039/D2CE00973K","","x-ray","1.54184","CuKα","","0.0355","0.0329","","","0.0855","0.087","","","","","","1.014","","","","has coordinates,has disorder","278090","2022-09-22","22:37:53",""
"7245532","9.0859","0.0009","10.7062","0.001","25.696","0.003","82.495","0.008","89.647","0.008","86.629","0.008","2473.9","0.4","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H18 Cl F24 I4 N3 -","- C45 H18 Cl F24 I4 N3 -","- C90 H36 Cl2 F48 I8 N6 -","2","1","","Stoesser, Julian; Engelage, Elric; Huber, Stefan","Co-crystallization studies of the syn- and anti-atropisomers of triphenyl-based perfluorinated halogen bond donors with halides","CrystEngComm","2022","","","","","10.1039/D2CE00973K","","x-ray","1.54184","CuKα","","0.0694","0.0516","","","0.1288","0.1432","","","","","","1.004","","","","has coordinates","278090","2022-09-22","22:37:53",""
"7245533","25.56024","0.00012","8.05461","0.00004","24.62605","0.0001","90","","91.1507","0.0004","90","","5068.93","0.04","170","2","170","0.1","","","","","","","","6","I 1 a 1","I -2ya","9","","","","- C45 H18 Cl F24 I4 N3 -","- C45 H18 Cl F24 I4 N3 -","- C180 H72 Cl4 F96 I16 N12 -","4","1","","Stoesser, Julian; Engelage, Elric; Huber, Stefan","Co-crystallization studies of the syn- and anti-atropisomers of triphenyl-based perfluorinated halogen bond donors with halides","CrystEngComm","2022","","","","","10.1039/D2CE00973K","","x-ray","1.54184","CuKα","","0.0324","0.0323","","","0.0798","0.0798","","","","","","1.034","","","","has coordinates","278090","2022-09-22","22:37:53",""
"7245534","15.6729","0.0002","20.0722","0.0004","32.1725","0.0003","90","","90","","90","","10121.1","0.3","170","2","170","0.14","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C45 H18 Cl F24 I4 N3 -","- C45 H18 Cl F24 I4 N3 -","- C360 H144 Cl8 F192 I32 N24 -","8","1","","Stoesser, Julian; Engelage, Elric; Huber, Stefan","Co-crystallization studies of the syn- and anti-atropisomers of triphenyl-based perfluorinated halogen bond donors with halides","CrystEngComm","2022","","","","","10.1039/D2CE00973K","","x-ray","1.54184","CuKα","","0.0612","0.0469","","","0.1064","0.1189","","","","","","1.175","","","","has coordinates,has disorder","278090","2022-09-22","22:37:53",""
"7245535","7.3349","0.0002","33.8687","0.0019","20.596","0.0008","90","","91.808","0.003","90","","5114","0.4","170","2","170","0.7","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8.18 H3.27 F4.36 I0.91 N0.55 O0 -","- C8.18182 H3.27273 F4.36364 I0.909091 N0.545455 -","- C180 H72 F96 I20 N12 -","22","5.5","","Stoesser, Julian; Engelage, Elric; Huber, Stefan","Co-crystallization studies of the syn- and anti-atropisomers of triphenyl-based perfluorinated halogen bond donors with halides","CrystEngComm","2022","","","","","10.1039/D2CE00973K","","x-ray","1.54184","CuKα","","0.0475","0.0337","","","0.0726","0.0802","","","","","","1.032","","","","has coordinates,has disorder","278090","2022-09-22","22:37:54",""
"7245536","20.5688","0.0018","7.552","0.0004","65.85","0.011","90","","90","","90","","10229","2","170","2","170","0.14","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C45 H18 F24 I5 N3 -","- C45 H18 F24 I5 N3 -","- C360 H144 F192 I40 N24 -","8","1","","Stoesser, Julian; Engelage, Elric; Huber, Stefan","Co-crystallization studies of the syn- and anti-atropisomers of triphenyl-based perfluorinated halogen bond donors with halides","CrystEngComm","2022","","","","","10.1039/D2CE00973K","","x-ray","1.54184","CuKα","","0.0631","0.0541","","","0.1011","0.1046","","","","","","1.207","","","","has coordinates","278090","2022-09-22","22:37:54",""
"7245537","10.2153","0.0004","14.8333","0.0006","33.3212","0.0009","80.102","0.003","89.936","0.003","85.987","0.003","4961.4","0.3","170","2","170","0.14","","","","","","","","6","P -1","-P 1","2","","","","- C44 H20 Br F24 I4 N -","- C44 H20 Br F24 I4 N -","- C176 H80 Br4 F96 I16 N4 -","4","2","","Stoesser, Julian; Engelage, Elric; Huber, Stefan","Co-crystallization studies of the syn- and anti-atropisomers of triphenyl-based perfluorinated halogen bond donors with halides","CrystEngComm","2022","","","","","10.1039/D2CE00973K","","x-ray","1.54184","CuKα","","0.0581","0.048","","","0.123","0.1286","","","","","","1.085","","","","has coordinates","278090","2022-09-22","22:37:54",""
"7245538","12.5952","0.0001","7.8714","0.0001","26.3715","0.0002","90","","97.166","0.001","90","","2594.1","0.04","170","2","170.02","0.14","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C45 H18 F24 I5 N3 -","- C45 H18 F24 I5 N3 -","- C90 H36 F48 I10 N6 -","2","1","","Stoesser, Julian; Engelage, Elric; Huber, Stefan","Co-crystallization studies of the syn- and anti-atropisomers of triphenyl-based perfluorinated halogen bond donors with halides","CrystEngComm","2022","","","","","10.1039/D2CE00973K","","x-ray","1.54184","CuKα","","0.0411","0.0408","","","0.1034","0.1039","","","","","","1.019","","","","has coordinates","278090","2022-09-22","22:37:54",""
"7245539","7.867","","12.3776","0.0001","22.9644","0.0001","75.66","0.001","82.43","0.001","88.64","0.001","2147.5","0.02","170","2","169.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C74 H40 Cl6 F36 I6 N6 -","- C73.998 H39.996 Cl5.996 F36 I6 N6 -","- C73.998 H39.996 Cl5.996 F36 I6 N6 -","1","0.5","","Stoesser, Julian; Engelage, Elric; Huber, Stefan","Co-crystallization studies of the syn- and anti-atropisomers of triphenyl-based perfluorinated halogen bond donors with halides","CrystEngComm","2022","","","","","10.1039/D2CE00973K","","x-ray","1.54184","CuKα","","0.0332","0.0322","","","0.0847","0.0855","","","","","","1.033","","","","has coordinates,has disorder","278090","2022-09-22","22:37:54",""
"7245540","7.8456","0.0001","12.5041","0.0003","23.2075","0.0004","76.694","0.002","81.598","0.001","88.024","0.001","2191.81","0.07","170","2","169.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C74 H40 Cl4.79 F36 I7.21 N6 -","- C74 H40 Cl4.794 F36 I7.206 N6 -","- C74 H40 Cl4.794 F36 I7.206 N6 -","1","0.5","","Stoesser, Julian; Engelage, Elric; Huber, Stefan","Co-crystallization studies of the syn- and anti-atropisomers of triphenyl-based perfluorinated halogen bond donors with halides","CrystEngComm","2022","","","","","10.1039/D2CE00973K","","x-ray","1.54184","CuKα","","0.0476","0.0444","","","0.102","0.1035","","","","","","1.133","","","","has coordinates,has disorder","278090","2022-09-22","22:37:54",""
"7245541","8.204","0.0004","10.2959","0.0005","12.6309","0.0006","77.925","0.004","86.254","0.004","68.455","0.005","970.32","0.09","170","2","170","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 F12 I2 -","- C18 F12 I2 -","- C36 F24 I4 -","2","1","","Stoesser, Julian; Engelage, Elric; Huber, Stefan","Co-crystallization studies of the syn- and anti-atropisomers of triphenyl-based perfluorinated halogen bond donors with halides","CrystEngComm","2022","","","","","10.1039/D2CE00973K","","","0.7107","MoKα","","0.0396","0.0338","","","0.0803","0.0838","","","","","","1.065","","","","has coordinates","278090","2022-09-22","22:37:54",""
"7245542","7.7774","0.0004","10.5846","0.0006","13.0896","0.0005","106.273","0.004","98.342","0.004","110.384","0.005","933.67","0.1","170","2","170","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 F12 I2 -","- C18 F12 I2 -","- C36 F24 I4 -","2","1","","Stoesser, Julian; Engelage, Elric; Huber, Stefan","Co-crystallization studies of the syn- and anti-atropisomers of triphenyl-based perfluorinated halogen bond donors with halides","CrystEngComm","2022","","","","","10.1039/D2CE00973K","","","0.7107","MoKα","","0.0377","0.0263","","","0.0545","0.0592","","","","","","1.039","","","","has coordinates","278090","2022-09-22","22:37:54",""
"7245543","15.4587","0.0004","18.4285","0.0006","26.0855","0.0009","85.737","0.003","78.93","0.003","83.347","0.003","7233.5","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C130 H112 Dy6 N24 Na5 O39.5 P5 -","- C129 H107 Dy6 N24 Na5 O38 P5 -","- C258 H214 Dy12 N48 Na10 O76 P10 -","2","1","","Sun, Xiao; Chen, Peiqiong; Liu, Yanan; Liu, Hou-Ting; Tian, Haiquan","Structural cutting and recombining in a layered sodium dysprosium phosphonate: key roles of flexible pyrazinyl hydrazone molecular tools","CrystEngComm","2022","","","","","10.1039/D2CE01161A","","","1.54184","CuKα","","0.138","0.0819","","","0.1934","0.2325","","","","","","1.021","","","","has coordinates","278091","2022-09-22","22:39:31",""
"7245544","32.922","0.002","16.3477","0.0006","34.0768","0.0019","90","","113.814","0.007","90","","16778.6","1.8","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C139.5 H131 Dy8 N16 Na4 O56 P8 -","- C138 H114 Dy8 N16 Na4 O49 P8 -","- C552 H456 Dy32 N64 Na16 O196 P32 -","4","1","","Sun, Xiao; Chen, Peiqiong; Liu, Yanan; Liu, Hou-Ting; Tian, Haiquan","Structural cutting and recombining in a layered sodium dysprosium phosphonate: key roles of flexible pyrazinyl hydrazone molecular tools","CrystEngComm","2022","","","","","10.1039/D2CE01161A","","","0.71073","MoKα","","0.1532","0.0957","","","0.2342","0.2889","","","","","","0.97","","","","has coordinates","278091","2022-09-22","22:39:32",""
"7245551","12.454","0.0007","5.4805","0.0002","14.1111","0.0007","90","","104.263","0.004","90","","933.45","0.08","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 O4 -","- C24 H22 O4 -","- C48 H44 O8 -","2","0.5","","Manfroni, Giacomo; Spingler, Bernhard; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Multitopic 3,2':6',3''-terpyridine ligands as 4-connecting nodes in two-dimensional 4,4-networks","CrystEngComm","2022","","","","","10.1039/D2CE01130A","","x-ray","1.34143","GaKα","","0.1152","0.1118","","","0.2784","0.2849","","","","","","1.258","","","","has coordinates","278133","2022-09-26","15:24:26",""
"7245552","9.0988","0.0006","8.741","0.0006","27.1654","0.0017","90","","90","","90","","2160.5","0.2","150","","150","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C26 H26 O4 -","- C26 H26 O4 -","- C104 H104 O16 -","4","0.5","","Manfroni, Giacomo; Spingler, Bernhard; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Multitopic 3,2':6',3''-terpyridine ligands as 4-connecting nodes in two-dimensional 4,4-networks","CrystEngComm","2022","","","","","10.1039/D2CE01130A","","x-ray","1.54178","CuKα","","0.0386","0.0354","","","0.095","0.0984","","","","","","1.015","","","","has coordinates","278133","2022-09-26","15:24:26",""
"7245553","8.93","0.0002","15.7218","0.0003","16.4219","0.0003","100.03","0.0015","93.7146","0.0016","96.8981","0.0018","2245.21","0.08","160","0.1","160","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C81 H56 Cu2 F24 N6 O12 -","- C81 H56 Cu2 F24 N6 O12 -","- C81 H56 Cu2 F24 N6 O12 -","1","0.5","","Manfroni, Giacomo; Spingler, Bernhard; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Multitopic 3,2':6',3''-terpyridine ligands as 4-connecting nodes in two-dimensional 4,4-networks","CrystEngComm","2022","","","","","10.1039/D2CE01130A","","x-ray","1.54184","CuKα","","0.083","0.0758","","","0.2299","0.2463","","","","","","1.07","","","","has coordinates,has disorder","278133","2022-09-26","15:24:26",""
"7245554","11.974","0.0004","24.5642","0.0006","19.0265","0.0006","90","","94.874","0.003","90","","5576.1","0.3","130","","130","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C95.6 H60.4 Cl13.2 Cu2 F24 N6 O10 -","- C95.6 H60.4 Cl13.2 Cu2 F24 N6 O10 -","- C191.2 H120.8 Cl26.4 Cu4 F48 N12 O20 -","2","0.5","","Manfroni, Giacomo; Spingler, Bernhard; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Multitopic 3,2':6',3''-terpyridine ligands as 4-connecting nodes in two-dimensional 4,4-networks","CrystEngComm","2022","","","","","10.1039/D2CE01130A","","x-ray","1.34143","GaKα","","0.1547","0.1224","","","0.3685","0.4112","","","","","","1.027","","","","has coordinates,has disorder","278133","2022-09-26","15:24:26",""
"7245555","8.9544","0.0002","15.7417","0.0004","16.3905","0.0004","100.053","0.002","94.071","0.002","97.071","0.002","2247.46","0.1","160","0.1","160","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C90.8 H61 Cl2.8 Cu2 F24 N6 O10 -","- C90.8 H61 Cl2.8 Cu2 F24 N6 O10 -","- C90.8 H61 Cl2.8 Cu2 F24 N6 O10 -","1","0.5","","Manfroni, Giacomo; Spingler, Bernhard; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Multitopic 3,2':6',3''-terpyridine ligands as 4-connecting nodes in two-dimensional 4,4-networks","CrystEngComm","2022","","","","","10.1039/D2CE01130A","","x-ray","1.54184","CuKα","","0.1035","0.0932","","","0.2661","0.2839","","","","","","1.04","","","","has coordinates,has disorder","278133","2022-09-26","15:24:26",""
"7245556","9.0105","0.0003","15.1823","0.0004","19.9645","0.0003","109.391","0.002","92.202","0.002","100.595","0.002","2517.69","0.12","160","0.1","160","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C86.4 H56.4 Cl5.2 Cu2 F24 N6 O10.5 -","- C86.4 H56.4 Cl5.2 Cu2 F24 N6 O10.5 -","- C86.4 H56.4 Cl5.2 Cu2 F24 N6 O10.5 -","1","0.5","","Manfroni, Giacomo; Spingler, Bernhard; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Multitopic 3,2':6',3''-terpyridine ligands as 4-connecting nodes in two-dimensional 4,4-networks","CrystEngComm","2022","","","","","10.1039/D2CE01130A","","x-ray","1.54184","CuKα","","0.1225","0.0984","","","0.2869","0.3162","","","","","","1.209","","","","has coordinates,has disorder","278133","2022-09-26","15:24:26",""
"7245557","14.31144","0.0001","14.96748","0.0001","22.80527","0.00013","90","","93.107","0.0006","90","","4877.85","0.05","160","0.1","160","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C80.8 H53.8 Cl5.4 F24 N6 O10 Zn2 -","- C80.3 H52.3 Cl5.4 F24 N6 O10 Zn2 -","- C160.6 H104.6 Cl10.8 F48 N12 O20 Zn4 -","2","0.5","","Manfroni, Giacomo; Spingler, Bernhard; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Multitopic 3,2':6',3''-terpyridine ligands as 4-connecting nodes in two-dimensional 4,4-networks","CrystEngComm","2022","","","","","10.1039/D2CE01130A","","x-ray","1.54184","CuKα","","0.0839","0.0797","","","0.2452","0.2527","","","","","","1.043","","","","has coordinates,has disorder","278133","2022-09-26","15:24:26",""
"7245558","23.49022","0.00013","23.49022","0.00013","23.49022","0.00013","90","","90","","90","","12961.7","0.12","","","295","","","","","","","","Crystallization from a solution of ZrCl4 and 4,9-diamantanedicarboxylic acid in a mixture of DMF and formic acid at 120 degrees Celsius.","4","F m -3 m","-F 4 2 3","225","","catena-[hexakis(μ~4~-4,9-diamantanedicarboxylate)-tetra(μ~3~-oxo)-tetra(μ~3~-hydroxo)-hexazirconium];Additional note: the compound is modulated by formiate. The refined 4,9-diamantanedicarboxylate:formiate ratio is 4.56:2.86,which corresponds to [Zr6O4(OH)4(HCOO)2.86(C16H18O4)4.56] compositioncompared with the idealized, non-modulated [Zr6O4(OH)4(C16H18O4)6].The residual guest molecules in the pores are modeled by O-atoms.","","- C75.963 H82.238 O38.341 Zr6 -","- C75.9588 H82.2312 O38.3408 Zr6 -","- C303.835 H328.925 O153.363 Zr24 -","4","0.0208333","","Gvilava, Vasily; Vieten, Maximilian; Oestreich, Robert; Woschko, Dennis; Steinert, Moritz; Boldog, Ishtvan; Bulanek, Roman; Fokina, Natalie A.; Schreiner, Peter Richard; Janiak, Christoph","A diamantane-4,9-dicarboxylate based UiO-66 analogue: challenging larger hydrocarbon cage platforms","CrystEngComm","2022","","","","","10.1039/D2CE01170K","powder diffraction","x-ray","","CuKα","","0.0346","0.0346","","0.0508","0.0508","","","","5.9","","","","","","","has coordinates,has disorder","278134","2022-09-26","15:24:43",""
"7245559","7.16499","0.00007","10.59066","0.00011","7.24742","0.00006","90","","98.629","0.0009","90","","543.723","0.009","90.1","0.6","90.1","0.6","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- B4 H16 N2 O11 -","- B4 H16 N2 O11 -","- B8 H32 N4 O22 -","2","1","","Vaz, Raphael C. A.; Esteves, Isabela O.; Oliveira, Willian X. C.; Honorato, João; Martins, Felipe T.; da Silva Júnior, Eufrânio N.; de C. A. Valente, Daniel; Cardozo, Thiago M.; Horta, Bruno A. C.; Mariano, Davor L.; Nunes, Wallace C.; Pedroso, Emerson F.; Pereira, Cynthia L. M.","Lanthanide(iii)-oxamato complexes containing Nd3+ and Ho3+: crystal structures, magnetic properties, and ab initio calculations","CrystEngComm","2022","","","","","10.1039/D2CE00867J","","x-ray","0.71073","MoKα","","0.0506","0.0444","","","0.1143","0.1179","","","","","","1.04","","","","has coordinates,has disorder","278135","2022-09-26","15:24:45",""
"7245560","7.16499","0.00007","10.59066","0.00011","7.24742","0.00006","90","","98.629","0.0009","90","","543.723","0.009","90.1","0.6","90.1","0.6","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- B4 H16 N2 O11 -","- B4 H16 N2 O11 -","- B8 H32 N4 O22 -","2","1","","Vaz, Raphael C. A.; Esteves, Isabela O.; Oliveira, Willian X. C.; Honorato, João; Martins, Felipe T.; da Silva Júnior, Eufrânio N.; de C. A. Valente, Daniel; Cardozo, Thiago M.; Horta, Bruno A. C.; Mariano, Davor L.; Nunes, Wallace C.; Pedroso, Emerson F.; Pereira, Cynthia L. M.","Lanthanide(iii)-oxamato complexes containing Nd3+ and Ho3+: crystal structures, magnetic properties, and ab initio calculations","CrystEngComm","2022","","","","","10.1039/D2CE00867J","","x-ray","0.71073","MoKα","","0.038","0.031","","","","0.071","0.039","","","","","1.156","","","","has coordinates","278135","2022-09-26","15:24:45",""
"7245561","9.1299","0.0005","9.5805","0.0006","10.0625","0.0006","101.793","0.001","116.073","0.001","95.318","0.001","757.04","0.08","293","0.2","293","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H32 Cl4 Eu2 N4 O17 -","- C14 H32 Cl4 Eu2 N4 O17 -","- C14 H32 Cl4 Eu2 N4 O17 -","1","0.5","","Zhou, Juan; Yu, Ting; Tang, Si si; He, Xiao Ming; Zhang, Xin Lei; Zhou, Lian; Sun, Lin; Zhang, Jun","Tuning the bonding dimensions for coordination polymers based on rare earth metal ions","CrystEngComm","2022","","","","","10.1039/D2CE01131J","","x-ray","0.71073","MoKα","","0.0228","0.0199","","","0.0465","0.0474","","","","","","1.048","","","","has coordinates,has disorder","278136","2022-09-26","15:24:47",""
"7245562","17.191","0.004","9.0546","0.0018","16.425","0.004","90","","90","","90","","2556.7","1","296.1","0.5","296.1","0.5","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C8 H12 Br Ho N2 O8 -","- C8 H12 Br Ho N2 O8 -","- C64 H96 Br8 Ho8 N16 O64 -","8","0.5","","Zhou, Juan; Yu, Ting; Tang, Si si; He, Xiao Ming; Zhang, Xin Lei; Zhou, Lian; Sun, Lin; Zhang, Jun","Tuning the bonding dimensions for coordination polymers based on rare earth metal ions","CrystEngComm","2022","","","","","10.1039/D2CE01131J","","x-ray","0.71073","MoKα","","0.0443","0.0415","","","0.1256","0.1272","","","","","","1.112","","","","has coordinates","278136","2022-09-26","15:24:47",""
"7245563","8.791","0.002","11.185","0.003","20.117","0.005","87.302","0.003","86.119","0.003","78.386","0.003","1932","0.8","296.1","0.1","296.1","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C21 H43 Br3 N6 O23 Tb2 -","- C21 H43 Br3 N6 O23 Tb2 -","- C42 H86 Br6 N12 O46 Tb4 -","2","1","","Zhou, Juan; Yu, Ting; Tang, Si si; He, Xiao Ming; Zhang, Xin Lei; Zhou, Lian; Sun, Lin; Zhang, Jun","Tuning the bonding dimensions for coordination polymers based on rare earth metal ions","CrystEngComm","2022","","","","","10.1039/D2CE01131J","","x-ray","0.71073","MoKα","","0.1259","0.0968","","","0.2422","0.25","","","","","","1.129","","","","has coordinates,has disorder","278136","2022-09-26","15:24:47",""
"7245564","12.7703","0.0008","16.1875","0.001","22.0193","0.0014","90","","96.415","0.003","90","","4523.3","0.5","193","","193","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C44 H30 Cd4 N4 O22 -","- C44 H30 Cd4 N4 O22 -","- C176 H120 Cd16 N16 O88 -","4","1","","Dong, Xiuyan; Li, Yuyan; Li, Duqingcuo; Liao, Donghui; Qin, Tianrui; Prakash, Om; Kumar, Abhinav; Liu, Jianqiang","A new 3D 8-connected Cd(ii) MOF as a potent photocatalyst for oxytetracycline antibiotic degradation","CrystEngComm","2022","","","","","10.1039/D2CE01121B","","","1.34139","GaKα","","0.0385","0.0328","","","0.0694","0.0717","","","","","","1.049","","","","has coordinates","278137","2022-09-26","15:24:48",""
"7245569","8.1283","0.0007","23.4063","0.0019","11.9716","0.001","90","","108.067","0.009","90","","2165.3","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H16 Cl4 Cu2 N8 O28 -","- C28 H16 Cl4 Cu2 N8 O28 -","- C56 H32 Cl8 Cu4 N16 O56 -","2","0.5","","Xu, Xi; Yang, Mengle; Lu, Qinghai; Yu, Shuang; Ma, Shufang; Tian, Aixiang; Ying, Jun","Three Photochromic Materials based on POMs and Viologens for UV Probing, Visual Detection of Metal Ions and Amine Detecting","CrystEngComm","2022","","","","","10.1039/D2CE01244H","","","0.71073","MoKα","","0.076","0.0565","","","0.1459","0.161","","","","","","1.043","","","","has coordinates","278225","2022-09-27","22:31:33",""
"7245570","6.9081","0.0004","8.0731","0.0005","11.5005","0.0008","105.515","0.006","92.979","0.005","97.637","0.005","609.95","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H8 Cu2 N2 O11 -","- C7 H8 Cu2 N2 O11 -","- C14 H16 Cu4 N4 O22 -","2","1","","Xu, Xi; Yang, Mengle; Lu, Qinghai; Yu, Shuang; Ma, Shufang; Tian, Aixiang; Ying, Jun","Three Photochromic Materials based on POMs and Viologens for UV Probing, Visual Detection of Metal Ions and Amine Detecting","CrystEngComm","2022","","","","","10.1039/D2CE01244H","","","1.54178","CuKα","","0.0388","0.0327","","","0.086","0.0912","","","","","","1.032","","","","has coordinates","278225","2022-09-27","22:31:34",""
"7245571","8.1404","0.0003","14.6857","0.0008","14.8527","0.0007","111.203","0.005","104.809","0.004","99.771","0.004","1531.23","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H13 Cl3 Cu2 N6 O22 -","- C21 H13 Cl3 Cu2 N6 O22 -","- C42 H26 Cl6 Cu4 N12 O44 -","2","1","","Xu, Xi; Yang, Mengle; Lu, Qinghai; Yu, Shuang; Ma, Shufang; Tian, Aixiang; Ying, Jun","Three Photochromic Materials based on POMs and Viologens for UV Probing, Visual Detection of Metal Ions and Amine Detecting","CrystEngComm","2022","","","","","10.1039/D2CE01244H","","","0.71073","MoKα","","0.0394","0.0305","","","0.0726","0.0774","","","","","","1.027","","","","has coordinates","278225","2022-09-27","22:31:34",""
"7245592","8.1803","0.0004","16.3866","0.0009","17.4409","0.0009","90","","102.774","0.002","90","","2280","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N4 Ni O6 -","- C24 H22 N4 Ni O6 -","- C96 H88 N16 Ni4 O24 -","4","1","","Çiftçi, Esengül; Alp Arıcı, Tuğba; Arıcı, Mürsel; Erer, Hakan; Yeşilel, Okan Zafer","Synthesis, characterization and dye adsorption property of a 2D nickel(ii)-coordination polymer constructed from tetracarboxylic acid and 1,3-bis(imidazol-1-yl-methyl)benzene","CrystEngComm","2022","","","","","10.1039/D2CE00897A","","","0.71073","MoKα","","0.0506","0.0369","","","0.0895","0.0965","","","","","","1.04","","","","has coordinates","278282","2022-09-30","22:30:29",""
"7245593","7.2685","0.0003","12.4304","0.0006","14.1913","0.0006","108.995","0.004","101.944","0.004","92.083","0.004","1178.65","0.1","120","0.1","120","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C18 H22 Ag F6 N6 O2 P -","- C18 H22 Ag F6 N6 O2 P -","- C36 H44 Ag2 F12 N12 O4 P2 -","2","1","","Ward, Jas S.","The Solid-state Hierarchy and Iodination Potential of [bis(3-acetaminopyridine)iodine(I)]PF6","CrystEngComm","2022","","","","","10.1039/D2CE01225A","","x-ray","1.54184","CuKα","","0.03","0.0281","","","0.0755","0.0775","","","","","","1.029","","","","has coordinates","278283","2022-09-30","22:31:38",""
"7245594","10.4701","0.0001","14.7904","0.0001","10.5256","0.0001","90","","100.659","0.001","90","","1601.84","0.02","120","0.1","120","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C11 H16 F6 I N2 O P -","- C11 H16 F6 I N2 O P -","- C44 H64 F24 I4 N8 O4 P4 -","4","1","","Ward, Jas S.","The Solid-state Hierarchy and Iodination Potential of [bis(3-acetaminopyridine)iodine(I)]PF6","CrystEngComm","2022","","","","","10.1039/D2CE01225A","","x-ray","1.54184","CuKα","","0.0235","0.0229","","","0.058","0.0584","","","","","","1.036","","","","has coordinates","278283","2022-09-30","22:31:38",""
"7245595","9.9264","0.0003","13.3351","0.0004","14.6878","0.0005","103.504","0.003","99.401","0.002","90.172","0.002","1863.36","0.11","119.97","0.1","119.97","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C14 H16 F6 I N4 O2 P -","- C14 H16 F6 I N4 O2 P -","- C56 H64 F24 I4 N16 O8 P4 -","4","2","","Ward, Jas S.","The Solid-state Hierarchy and Iodination Potential of [bis(3-acetaminopyridine)iodine(I)]PF6","CrystEngComm","2022","","","","","10.1039/D2CE01225A","","x-ray","1.54184","CuKα","","0.063","0.0555","","","0.1436","0.1512","","","","","","1.083","","","","has coordinates","278283","2022-09-30","22:31:38",""
"7245596","8.1008","0.0004","10.1196","0.0007","12.4667","0.0006","98.71","0.005","92.055","0.004","105.936","0.005","968.14","0.1","200.01","0.1","200.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C14 H16 F6 I N4 O2 P -","- C14 H16 F6 I N4 O2 P -","- C28 H32 F12 I2 N8 O4 P2 -","2","1","","Ward, Jas S.","The Solid-state Hierarchy and Iodination Potential of [bis(3-acetaminopyridine)iodine(I)]PF6","CrystEngComm","2022","","","","","10.1039/D2CE01225A","","x-ray","1.54184","CuKα","","0.066","0.0611","","","0.1642","0.1735","","","","","","1.027","","","","has coordinates,has disorder","278283","2022-09-30","22:31:38",""
"7245597","8.1283","0.0007","23.4063","0.0019","11.9716","0.001","90","","108.067","0.009","90","","2165.3","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H16 Cl4 Cu2 N8 O28 -","- C28 H16 Cl4 Cu2 N8 O28 -","- C56 H32 Cl8 Cu4 N16 O56 -","2","0.5","","Tan, Bin; Chen, Chao; Chen, Yun-Rui; Zhang, Jie; Yang, Guo-Yu","NIR light-driving deflagration of energetic copper complexes through photothermal effect","CrystEngComm","2022","","","","","10.1039/D2CE01166B","","","0.71073","MoKα","","0.076","0.0565","","","0.1459","0.161","","","","","","1.043","","","","has coordinates","278284","2022-09-30","22:32:29",""
"7245598","6.9081","0.0004","8.0731","0.0005","11.5005","0.0008","105.515","0.006","92.979","0.005","97.637","0.005","609.95","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H8 Cu2 N2 O11 -","- C7 H8 Cu2 N2 O11 -","- C14 H16 Cu4 N4 O22 -","2","1","","Tan, Bin; Chen, Chao; Chen, Yun-Rui; Zhang, Jie; Yang, Guo-Yu","NIR light-driving deflagration of energetic copper complexes through photothermal effect","CrystEngComm","2022","","","","","10.1039/D2CE01166B","","","1.54178","CuKα","","0.0388","0.0327","","","0.086","0.0912","","","","","","1.032","","","","has coordinates","278284","2022-09-30","22:32:29",""
"7245599","8.1404","0.0003","14.6857","0.0008","14.8527","0.0007","111.203","0.005","104.809","0.004","99.771","0.004","1531.23","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H13 Cl3 Cu2 N6 O22 -","- C21 H13 Cl3 Cu2 N6 O22 -","- C42 H26 Cl6 Cu4 N12 O44 -","2","1","","Tan, Bin; Chen, Chao; Chen, Yun-Rui; Zhang, Jie; Yang, Guo-Yu","NIR light-driving deflagration of energetic copper complexes through photothermal effect","CrystEngComm","2022","","","","","10.1039/D2CE01166B","","","0.71073","MoKα","","0.0394","0.0305","","","0.0726","0.0774","","","","","","1.027","","","","has coordinates","278284","2022-09-30","22:32:29",""
"7245600","4.3989","0.0019","11.809","0.016","10.981","0.005","90","","126.69","0.07","90","","457.4","0.8","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C H4 O -","- C H4 O -","- C12 H48 O12 -","12","3","","Aldum, J. Collen; Jones, Isabelle; McGonigal, Paul R.; Spagnoli, Dino; Stapleton, Nicholas D.; Turner, Gemma F.; Moggach, Stephen A.","The structure of methanol at 5.09 GPa: the fortuitous formation of a new high-pressure phase","CrystEngComm","2022","","","","","10.1039/D2CE01157C","","x-ray","0.71073","MoKα","","0.1061","0.0858","","","0.2219","0.2442","","","","","","1.155","","","","has coordinates","278286","2022-09-30","22:32:59",""
"7245602","32.9318","0.0018","26.33","0.002","20.9841","0.0009","90","","126.265","0.005","90","","14670.6","1.8","123","2","123","0.2","","","","","","","","9","C 1 2/m 1","-C 2y","12","","","","- C161.2 H227 Cl0.8 Cu14 I14 N5.4 O20 P40 Ta10 -","- C161.2 H227 Cl0.8 Cu14 I14 N5.4 O20 P40 Ta10 -","- C322.4 H454 Cl1.6 Cu28 I28 N10.8 O40 P80 Ta20 -","2","0.25","","Peresypkina, Eugenia; Stöger, Berthold; Virovets, Alexander","Aftermath of irradiation: the stacking faults in crystal of giant supramolecule unexpectedly mended before total decay","CrystEngComm","2022","","","","","10.1039/D2CE00916A","","x-ray","1.54178","CuKα","","0.1234","0.0808","","","0.2257","0.2508","","","","","","1.045","","","","has coordinates,has disorder","278328","2022-10-03","22:27:02",""
"7245603","32.9341","0.0014","26.3182","0.0014","20.9738","0.0007","90","","126.718","0.004","90","","14572.4","1.3","123.01","0.1","123.01","0.1","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","","- C159.6 H224.4 Cu14 I14 N4.8 O20 P40 Ta10 -","- C159.6 H224.4 Cu14 I14 N4.8 O20 P40 Ta10 -","- C319.2 H448.8 Cu28 I28 N9.6 O40 P80 Ta20 -","2","0.25","","Peresypkina, Eugenia; Stöger, Berthold; Virovets, Alexander","Aftermath of irradiation: the stacking faults in crystal of giant supramolecule unexpectedly mended before total decay","CrystEngComm","2022","","","","","10.1039/D2CE00916A","","x-ray","1.54178","CuKα","","0.1032","0.077","","","0.2283","0.2431","","","","","","1.065","","","","has coordinates,has disorder","278328","2022-10-03","22:27:02",""
"7245604","32.9254","0.0014","26.3712","0.0012","21.0009","0.0006","90","","126.93","0.004","90","","14576.3","1.3","123","0.1","123","0.2","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","","- C159.6 H224.4 Cu14 I14 N4.8 O20 P40 Ta10 -","- C159.6 H224.4 Cu14 I14 N4.8 O20 P40 Ta10 -","- C319.2 H448.8 Cu28 I28 N9.6 O40 P80 Ta20 -","2","0.25","","Peresypkina, Eugenia; Stöger, Berthold; Virovets, Alexander","Aftermath of irradiation: the stacking faults in crystal of giant supramolecule unexpectedly mended before total decay","CrystEngComm","2022","","","","","10.1039/D2CE00916A","","x-ray","1.54178","CuKα","","0.114","0.0742","","","0.2113","0.235","","","","","","0.97","","","","has coordinates,has disorder","278328","2022-10-03","22:27:02",""
"7245609","13.747","0.014","14.758","0.015","27.87","0.03","100.735","0.013","95.345","0.012","114.55","0.011","4960","9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C5.18 H12 La0.12 Mo1.41 N0.24 O8 P1.06 -","- C5.17647 H12 La0.117647 Mo1.41176 N0.235294 O8 P1.05882 -","- C88 H204 La2 Mo24 N4 O136 P18 -","17","8.5","","Hu, Cong; Li, Ying-Yu; Qiu, Qi-Ming; Han, Hong-Liang; Gu, Chao-Yue; Yang, Yu-Ping; Dai, Li-Xiong; Jin, Qiong-Hua","Efficient dye degradation and THz spectra of {PMo12} based rare earth phosphine oxide complexes","CrystEngComm","2022","","","","","10.1039/D2CE00989G","","","0.71073","MoKα","","0.1742","0.0879","","","0.2091","0.2461","","","","","","1.115","","","","has coordinates","278369","2022-10-05","22:19:28",""
"7245610","14.04","0.0015","15.0002","0.0016","15.2701","0.0018","68.94","0.003","67.689","0.002","65.66","0.001","2631","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H96 Mo12 O64 P9 Sm -","- C40 H96 Mo12 O64 P9 Sm -","- C40 H96 Mo12 O64 P9 Sm -","1","0.5","","Hu, Cong; Li, Ying-Yu; Qiu, Qi-Ming; Han, Hong-Liang; Gu, Chao-Yue; Yang, Yu-Ping; Dai, Li-Xiong; Jin, Qiong-Hua","Efficient dye degradation and THz spectra of {PMo12} based rare earth phosphine oxide complexes","CrystEngComm","2022","","","","","10.1039/D2CE00989G","","","0.71073","MoKα","","0.2387","0.1384","","","0.3081","0.3491","","","","","","1.154","","","","has coordinates,has disorder","278369","2022-10-05","22:19:29",""
"7245611","13.7382","0.0013","14.6869","0.0014","27.76","0.003","100.262","0.003","95.45","0.002","114.794","0.005","4912.4","0.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H102 Ce Mo12 N2 O68 P9 -","- C44 H102 Ce Mo12 N2 O68 P9 -","- C88 H204 Ce2 Mo24 N4 O136 P18 -","2","1","","Hu, Cong; Li, Ying-Yu; Qiu, Qi-Ming; Han, Hong-Liang; Gu, Chao-Yue; Yang, Yu-Ping; Dai, Li-Xiong; Jin, Qiong-Hua","Efficient dye degradation and THz spectra of {PMo12} based rare earth phosphine oxide complexes","CrystEngComm","2022","","","","","10.1039/D2CE00989G","","","0.71073","MoKα","","0.1591","0.0733","","","0.1522","0.1774","","","","","","1.101","","","","has coordinates","278369","2022-10-05","22:19:29",""
"7245612","13.7418","0.0014","14.678","0.0015","27.787","0.003","100.421","0.003","95.337","0.002","114.467","0.005","4928.2","0.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H102 Mo12 N2 O68 P9 Pr -","- C44 H102 Mo12 N2 O68 P9 Pr -","- C88 H204 Mo24 N4 O136 P18 Pr2 -","2","1","","Hu, Cong; Li, Ying-Yu; Qiu, Qi-Ming; Han, Hong-Liang; Gu, Chao-Yue; Yang, Yu-Ping; Dai, Li-Xiong; Jin, Qiong-Hua","Efficient dye degradation and THz spectra of {PMo12} based rare earth phosphine oxide complexes","CrystEngComm","2022","","","","","10.1039/D2CE00989G","","","0.71073","MoKα","","0.1991","0.0972","","","0.2319","0.2679","","","","","","1.216","","","","has coordinates","278369","2022-10-05","22:19:29",""
"7245613","13.7674","0.0014","14.6533","0.0015","27.613","0.003","100.341","0.003","95.132","0.002","114.438","0.004","4905.1","0.9","298","2","298.15","","","","","","","","","7","P -1","-P 1","2","","","","- C44 H91 Eu Mo12 N2 O64 P9 -","- C44 H91 Eu Mo12 N2 O64 P9 -","- C88 H182 Eu2 Mo24 N4 O128 P18 -","2","1","","Hu, Cong; Li, Ying-Yu; Qiu, Qi-Ming; Han, Hong-Liang; Gu, Chao-Yue; Yang, Yu-Ping; Dai, Li-Xiong; Jin, Qiong-Hua","Efficient dye degradation and THz spectra of {PMo12} based rare earth phosphine oxide complexes","CrystEngComm","2022","","","","","10.1039/D2CE00989G","","","0.71073","MoKα","","0.1589","0.071","","","0.1662","0.1997","","","","","","0.998","","","","has coordinates","278369","2022-10-05","22:19:29",""
"7245614","13.9774","0.0011","14.8473","0.0016","28.034","0.003","100.36","0.003","94.898","0.002","114.438","0.004","5126.6","0.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H102 Gd Mo12 N2 O68 P9 -","- C44 H102 Gd Mo12 N2 O68 P9 -","- C88 H204 Gd2 Mo24 N4 O136 P18 -","2","1","","Hu, Cong; Li, Ying-Yu; Qiu, Qi-Ming; Han, Hong-Liang; Gu, Chao-Yue; Yang, Yu-Ping; Dai, Li-Xiong; Jin, Qiong-Hua","Efficient dye degradation and THz spectra of {PMo12} based rare earth phosphine oxide complexes","CrystEngComm","2022","","","","","10.1039/D2CE00989G","","","0.71073","MoKα","","0.1658","0.0942","","","0.2431","0.2849","","","","","","1.175","","","","has coordinates","278369","2022-10-05","22:19:29",""
"7245615","13.7846","0.0014","14.6894","0.0015","14.9564","0.0014","68.855","0.002","67.695","0.002","65.792","0.001","2478.9","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H96 Mo12 O64 P9 Tb -","- C40 H96 Mo12 O64 P9 Tb -","- C40 H96 Mo12 O64 P9 Tb -","1","0.5","","Hu, Cong; Li, Ying-Yu; Qiu, Qi-Ming; Han, Hong-Liang; Gu, Chao-Yue; Yang, Yu-Ping; Dai, Li-Xiong; Jin, Qiong-Hua","Efficient dye degradation and THz spectra of {PMo12} based rare earth phosphine oxide complexes","CrystEngComm","2022","","","","","10.1039/D2CE00989G","","","0.71073","MoKα","","0.1906","0.1268","","","0.3128","0.3458","","","","","","1.452","","","","has coordinates,has disorder","278369","2022-10-05","22:19:29",""
"7245616","25.321","0.003","14.408","0.0012","24.126","0.002","90","","113.587","0.004","90","","8066.4","1.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H77 Mo12 N O59 P7 Yb -","- C32 H77 Mo12 N O59 P7 Yb -","- C128 H308 Mo48 N4 O236 P28 Yb4 -","4","1","","Hu, Cong; Li, Ying-Yu; Qiu, Qi-Ming; Han, Hong-Liang; Gu, Chao-Yue; Yang, Yu-Ping; Dai, Li-Xiong; Jin, Qiong-Hua","Efficient dye degradation and THz spectra of {PMo12} based rare earth phosphine oxide complexes","CrystEngComm","2022","","","","","10.1039/D2CE00989G","","","0.71073","MoKα","","0.1382","0.0767","","","0.1852","0.2133","","","","","","1.067","","","","has coordinates","278369","2022-10-05","22:19:29",""
"7245617","25.388","0.003","14.4121","0.0015","24.165","0.003","90","","113.488","0.004","90","","8109.2","1.6","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H77 Mo12 N O59 P7 Tm -","- C32 H77 Mo12 N O59 P7 Tm -","- C128 H308 Mo48 N4 O236 P28 Tm4 -","4","1","","Hu, Cong; Li, Ying-Yu; Qiu, Qi-Ming; Han, Hong-Liang; Gu, Chao-Yue; Yang, Yu-Ping; Dai, Li-Xiong; Jin, Qiong-Hua","Efficient dye degradation and THz spectra of {PMo12} based rare earth phosphine oxide complexes","CrystEngComm","2022","","","","","10.1039/D2CE00989G","","","0.71073","MoKα","","0.131","0.0735","","","0.1622","0.1864","","","","","","1.051","","","","has coordinates","278369","2022-10-05","22:19:29",""
"7245618","25.403","0.012","14.473","0.007","24.145","0.011","90","","113.517","0.006","90","","8140","7","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H77 Mo12 N O59 P7 Y -","- C32 H77 Mo12 N O59 P7 Y -","- C128 H308 Mo48 N4 O236 P28 Y4 -","4","1","","Hu, Cong; Li, Ying-Yu; Qiu, Qi-Ming; Han, Hong-Liang; Gu, Chao-Yue; Yang, Yu-Ping; Dai, Li-Xiong; Jin, Qiong-Hua","Efficient dye degradation and THz spectra of {PMo12} based rare earth phosphine oxide complexes","CrystEngComm","2022","","","","","10.1039/D2CE00989G","","","0.71073","MoKα","","0.1352","0.0866","","","0.1685","0.1845","","","","","","1.068","","","","has coordinates","278369","2022-10-05","22:19:29",""
"7245619","10.0055","0.0002","13.0597","0.0003","14.2217","0.0003","101.936","0.001","104.117","0.001","101.976","0.001","1696.84","0.06","150","2","150","","","","","","","","","4","P -1","-P 1","2","","","","- C39 H34 F3 N2 -","- C39 H34 F3 N2 -","- C78 H68 F6 N4 -","2","1","","Zhang, Yuyang; Chen, Fuqiang; Zheng, Jie; Song, Zhongming; Wang, Yanping; Mao, Yueyuan; Tang, Jing; Guo, Jiahao; Wang, Xuchun","Aggregate emission behaviors and reversible mechanofluorochromic properties of α-cyanostilbene functionalized indolo[3,2-b]carbazole derivatives","CrystEngComm","2022","","","","","10.1039/D2CE01015A","","","1.54178","CuKα","","0.2793","0.2604","","","0.5727","0.5992","","","","","","2.743","","","","has coordinates","278370","2022-10-05","22:20:33",""
"7245634","23.578","0.0007","25.621","0.0008","20.728","0.0008","90","","103.378","0.0013","90","","12181.8","0.7","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C111 H87 Cl25 Co2 N8 O16 -","- C111 H87 Cl25 Co2 N8 O16 -","- C444 H348 Cl100 Co8 N32 O64 -","4","0.5","","Zazouli, Sofia; Kyritsakas, Nathalie; Bulach, Veronique; Ferlay, Sylvie; Jouaiti, Abdelaziz","Design of Coordination Polymers based on combinations of 1,2-diphenylethane-1,2-diyl diisonicotinate with Cu(II), Zn(II), Cd(II) and Co(II)","CrystEngComm","2022","","","","","10.1039/D2CE01001A","","","0.71073","MoKα","","0.1911","0.099","","","0.273","0.3232","","","","","","1.009","","","","has coordinates,has disorder","278494","2022-10-07","22:38:00",""
"7245635","13.7973","0.0008","9.4225","0.0006","14.4229","0.0008","90","","97.481","0.002","90","","1859.09","0.19","175","","175","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H22 Cu F12 N2 O8 -","- C36 H22 Cu F12 N2 O8 -","- C72 H44 Cu2 F24 N4 O16 -","2","0.5","","Zazouli, Sofia; Kyritsakas, Nathalie; Bulach, Veronique; Ferlay, Sylvie; Jouaiti, Abdelaziz","Design of Coordination Polymers based on combinations of 1,2-diphenylethane-1,2-diyl diisonicotinate with Cu(II), Zn(II), Cd(II) and Co(II)","CrystEngComm","2022","","","","","10.1039/D2CE01001A","","","0.71073","MoKα","","0.0833","0.0518","","","0.1246","0.1425","","","","","","1.033","","","","has coordinates,has disorder","278494","2022-10-07","22:38:00",""
"7245636","17.1498","0.0009","6.2278","0.0004","17.3103","0.0009","90","","118.787","0.002","90","","1620.35","0.16","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H34 Cu N2 O8 -","- C36 H34 Cu N2 O8 -","- C72 H68 Cu2 N4 O16 -","2","0.5","","Zazouli, Sofia; Kyritsakas, Nathalie; Bulach, Veronique; Ferlay, Sylvie; Jouaiti, Abdelaziz","Design of Coordination Polymers based on combinations of 1,2-diphenylethane-1,2-diyl diisonicotinate with Cu(II), Zn(II), Cd(II) and Co(II)","CrystEngComm","2022","","","","","10.1039/D2CE01001A","","","0.71073","MoKα","","0.0764","0.0614","","","0.1515","0.1624","","","","","","1.055","","","","has coordinates","278494","2022-10-07","22:38:01",""
"7245637","13.444","0.003","11.996","0.002","19.179","0.004","90","","103.8","0.03","90","","3003.8","1.1","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H21 Cl5 N2 O4 Zn -","- C27 H21 Cl5 N2 O4 Zn -","- C108 H84 Cl20 N8 O16 Zn4 -","4","0.5","","Zazouli, Sofia; Kyritsakas, Nathalie; Bulach, Veronique; Ferlay, Sylvie; Jouaiti, Abdelaziz","Design of Coordination Polymers based on combinations of 1,2-diphenylethane-1,2-diyl diisonicotinate with Cu(II), Zn(II), Cd(II) and Co(II)","CrystEngComm","2022","","","","","10.1039/D2CE01001A","","","0.71073","MoKα","","0.0643","0.0511","","","0.1469","0.1553","","","","","","1.041","","","","has coordinates,has disorder","278494","2022-10-07","22:38:01",""
"7245638","15.0994","0.0015","7.2763","0.0006","26.937","0.003","90","","100.19","0.002","90","","2912.8","0.5","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C53 H41 Cd2 Cl3 I4 N4 O8 -","- C53 H41 Cd2 Cl3 I4 N4 O8 -","- C106 H82 Cd4 Cl6 I8 N8 O16 -","2","0.5","","Zazouli, Sofia; Kyritsakas, Nathalie; Bulach, Veronique; Ferlay, Sylvie; Jouaiti, Abdelaziz","Design of Coordination Polymers based on combinations of 1,2-diphenylethane-1,2-diyl diisonicotinate with Cu(II), Zn(II), Cd(II) and Co(II)","CrystEngComm","2022","","","","","10.1039/D2CE01001A","","","0.71073","MoKα","","0.0834","0.0499","","","0.1152","0.131","","","","","","1.022","","","","has coordinates,has disorder","278494","2022-10-07","22:38:01",""
"7245639","15.7509","0.0018","13.2011","0.0013","15.8501","0.0016","90","","105.818","0.003","90","","3170.9","0.6","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 S6 Se2 -","- C10 H10 S6 Se2 -","- C80 H80 S48 Se16 -","8","2","","Beau, Maxime; Jeannin, olivier; Fourmigué, Marc; Senzier, Pascale; Barriere, Frederic; Jeon, Ie-Rang","Oxidation-induced activation of chalcogen bonding in redox-active bis(selenomethyl)tetrathiafulvalene derivatives","CrystEngComm","2022","","","","","10.1039/D2CE01168A","","x-ray","0.71073","MoKα","","0.1344","0.059","","","0.1072","0.1322","","","","","","1.008","","","","has coordinates","278515","2022-10-10","22:38:04",""
"7245640","6.9069","0.0011","11.158","0.0015","19.166","0.003","90","","92.399","0.006","90","","1475.8","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H12 Br S4 Se2 -","- C10 H12 Br S4 Se2 -","- C40 H48 Br4 S16 Se8 -","4","1","","Beau, Maxime; Jeannin, olivier; Fourmigué, Marc; Senzier, Pascale; Barriere, Frederic; Jeon, Ie-Rang","Oxidation-induced activation of chalcogen bonding in redox-active bis(selenomethyl)tetrathiafulvalene derivatives","CrystEngComm","2022","","","","","10.1039/D2CE01168A","","x-ray","0.71073","MoKα","","0.0745","0.0682","","","0.1703","0.1733","","","","","","1.134","","","","has coordinates","278515","2022-10-10","22:38:05",""
"7245641","16.179","0.009","8.23","0.005","11.342","0.007","90","","96.59","0.03","90","","1500.2","1.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 S4 Se2 -","- C10 H12 S4 Se2 -","- C40 H48 S16 Se8 -","4","1","","Beau, Maxime; Jeannin, olivier; Fourmigué, Marc; Senzier, Pascale; Barriere, Frederic; Jeon, Ie-Rang","Oxidation-induced activation of chalcogen bonding in redox-active bis(selenomethyl)tetrathiafulvalene derivatives","CrystEngComm","2022","","","","","10.1039/D2CE01168A","","x-ray","0.71073","MoKα","","0.1271","0.0736","","","0.1559","0.1854","","","","","","1.043","","","","has coordinates","278515","2022-10-10","22:38:05",""
"7245642","5.8409","0.0004","17.6599","0.0012","16.2327","0.0009","90","","93.323","0.002","90","","1671.58","0.19","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Br2 S12 Se4 -","- C20 H20 Br2 S12 Se4 -","- C40 H40 Br4 S24 Se8 -","2","0.5","","Beau, Maxime; Jeannin, olivier; Fourmigué, Marc; Senzier, Pascale; Barriere, Frederic; Jeon, Ie-Rang","Oxidation-induced activation of chalcogen bonding in redox-active bis(selenomethyl)tetrathiafulvalene derivatives","CrystEngComm","2022","","","","","10.1039/D2CE01168A","","x-ray","0.71073","MoKα","","0.0581","0.0355","","","0.0759","0.0854","","","","","","1.054","","","","has coordinates","278515","2022-10-10","22:38:05",""
"7245644","15.7628","0.0004","9.9401","0.0002","14.6764","0.0003","90","","114.612","0.003","90","","2090.64","0.09","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H25 F N3 O5.5 -","- C21 H25 F N3 O5.5 -","- C84 H100 F4 N12 O22 -","4","1","","Wu, Chao; Gao, Lu; Xiong, Jing; Dai, Xia-Lin; Gao, Wei; Lu, Tongbu; Chen, Jia-Mei","Salts of rucaparib with dicarboxylic acids: synthesis, crystal structures and solubility aspects","CrystEngComm","2022","","","","","10.1039/D2CE00842D","","x-ray","1.54184","CuKα","","0.0574","0.0534","","","0.1569","0.1614","","","","","","1.091","","","","has coordinates","278530","2022-10-11","22:40:24",""
"7245645","26.6114","0.0005","15.8766","0.0003","5.4278","0.0001","90","","90","","90","","2293.24","0.07","150","0.1","150","0.1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C25 H28 F N3 O5 -","- C25 H28 F N3 O5 -","- C100 H112 F4 N12 O20 -","4","1","","Wu, Chao; Gao, Lu; Xiong, Jing; Dai, Xia-Lin; Gao, Wei; Lu, Tongbu; Chen, Jia-Mei","Salts of rucaparib with dicarboxylic acids: synthesis, crystal structures and solubility aspects","CrystEngComm","2022","","","","","10.1039/D2CE00842D","","x-ray","1.54184","CuKα","","0.0488","0.0472","","","0.1267","0.1293","","","","","","1.075","","","","has coordinates","278530","2022-10-11","22:40:24",""
"7245646","27.4657","0.0003","15.6448","0.0002","5.5604","0.0001","90","","90","","90","","2389.28","0.06","150","0.1","150","0.1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C26 H30 F N3 O5 -","- C26 H30 F N3 O5 -","- C104 H120 F4 N12 O20 -","4","1","","Wu, Chao; Gao, Lu; Xiong, Jing; Dai, Xia-Lin; Gao, Wei; Lu, Tongbu; Chen, Jia-Mei","Salts of rucaparib with dicarboxylic acids: synthesis, crystal structures and solubility aspects","CrystEngComm","2022","","","","","10.1039/D2CE00842D","","x-ray","1.54184","CuKα","","0.0474","0.0452","","","0.1242","0.1255","","","","","","1.129","","","","has coordinates","278530","2022-10-11","22:40:24",""
"7245647","16.7798","0.0006","16.7798","0.0006","28.3067","0.0012","90","","90","","120","","6902.3","0.5","173","2","173","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C38 H38 Cd N6 O4 -","- C38 H38 Cd N6 O4 -","- C228 H228 Cd6 N36 O24 -","6","1","","Ju, Huiyeong; Kim, Seulgi; Jung, Jong Hwa; Lee, Shim Sung","A series of entangled MOFs constructed from flexible dipyridyl piperazine and rigid dicarboxylate: interpenetration, self-penetration and polycatenation","CrystEngComm","2022","","","","","10.1039/D2CE00745B","","","0.71073","MoKα","","0.0756","0.0453","","","0.0965","0.1071","","","","","","1.029","","","","has coordinates","278531","2022-10-11","22:41:53",""
"7245648","7.664","0.004","10.968","0.006","12.971","0.006","114.88","0.018","99.231","0.018","97.47","0.02","952.3","0.9","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H50 Cd N6 O8 -","- C38 H46 Cd N6 O8 -","- C38 H46 Cd N6 O8 -","1","0.5","","Ju, Huiyeong; Kim, Seulgi; Jung, Jong Hwa; Lee, Shim Sung","A series of entangled MOFs constructed from flexible dipyridyl piperazine and rigid dicarboxylate: interpenetration, self-penetration and polycatenation","CrystEngComm","2022","","","","","10.1039/D2CE00745B","","","0.71073","MoKα","","0.1353","0.0882","","","0.2321","0.3098","","","","","","1.156","","","","has coordinates","278531","2022-10-11","22:41:53",""
"7245649","7.0781","0.0002","10.5603","0.0002","14.5209","0.0003","77.605","0.001","84.317","0.001","70.964","0.001","1001.62","0.04","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 N2 O5 Zn -","- C22 H18 N2 O5 Zn -","- C44 H36 N4 O10 Zn2 -","2","1","","Ju, Huiyeong; Kim, Seulgi; Jung, Jong Hwa; Lee, Shim Sung","A series of entangled MOFs constructed from flexible dipyridyl piperazine and rigid dicarboxylate: interpenetration, self-penetration and polycatenation","CrystEngComm","2022","","","","","10.1039/D2CE00745B","","","0.71073","MoKα","","0.0435","0.0353","","","0.0771","0.0808","","","","","","1.059","","","","has coordinates,has disorder","278531","2022-10-11","22:41:53",""
"7245650","18.2794","0.0005","29.9253","0.0008","13.2838","0.0003","90","","90","","90","","7266.5","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C255 H287 Cu8 N37 O51 -","- C255 H259 Cu8 N37 O51 -","- C255 H259 Cu8 N37 O51 -","1","0.25","","Ju, Huiyeong; Kim, Seulgi; Jung, Jong Hwa; Lee, Shim Sung","A series of entangled MOFs constructed from flexible dipyridyl piperazine and rigid dicarboxylate: interpenetration, self-penetration and polycatenation","CrystEngComm","2022","","","","","10.1039/D2CE00745B","","","0.71073","MoKα","","0.1149","0.0721","","","0.1883","0.216","","","","","","1.031","","","","has coordinates","278531","2022-10-11","22:41:53",""
"7245651","9.7193","0.0011","9.8781","0.0016","11.6443","0.0016","68.313","0.014","78.335","0.011","74.819","0.012","995.6","0.3","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","3-carboxypyridinium hydrogen squarate hemihydrate","nicotinium hydrogen squarate hemihydrate","","- C20 H16 N2 O13 -","- C20 H16 N2 O13 -","- C40 H32 N4 O26 -","2","1","","Gołdyn, Mateusz; Skowronek, Julia; Komasa, Anna; Bartoszak-Adamska, Elżbieta; Lewandowska, Aneta; Dega-Szafran, Zofia; Cofta, Grzegorz","Synthesis and structural characteristic of pyridine carboxylic acids adducts with squaric acid","CrystEngComm","2022","","","","","10.1039/D2CE00760F","","x-ray","0.71073","MoKα","","0.0623","0.0435","","","0.0989","0.1098","","","","","","1.036","","","","has coordinates","278532","2022-10-11","22:42:59",""
"7245652","6.5246","0.0002","11.8093","0.0006","12.8138","0.0005","82.366","0.004","77.224","0.003","78.515","0.004","939.51","0.07","134.6","0.2","134.6","0.2","","","","","","","","4","P -1","-P 1","2","4-carboxypyridinium hydrogen squarate","isonicotinium hydrogen squarate","","- C10 H7 N O6 -","- C10 H7 N O6 -","- C40 H28 N4 O24 -","4","2","","Gołdyn, Mateusz; Skowronek, Julia; Komasa, Anna; Bartoszak-Adamska, Elżbieta; Lewandowska, Aneta; Dega-Szafran, Zofia; Cofta, Grzegorz","Synthesis and structural characteristic of pyridine carboxylic acids adducts with squaric acid","CrystEngComm","2022","","","","","10.1039/D2CE00760F","","x-ray","1.54184","CuKα","","0.0476","0.0425","","","0.12","0.1261","","","","","","1.063","","","","has coordinates","278532","2022-10-11","22:42:59",""
"7245653","11.2508","0.0009","16.8024","0.0009","11.2451","0.0009","90","","115.211","0.01","90","","1923.3","0.3","100.01","0.1","100.01","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","2-carboxypyridinium hydrogen squarate","picolinium hydrogen squarate","","- C10 H7 N O6 -","- C10 H7 N O6 -","- C80 H56 N8 O48 -","8","1","","Gołdyn, Mateusz; Skowronek, Julia; Komasa, Anna; Bartoszak-Adamska, Elżbieta; Lewandowska, Aneta; Dega-Szafran, Zofia; Cofta, Grzegorz","Synthesis and structural characteristic of pyridine carboxylic acids adducts with squaric acid","CrystEngComm","2022","","","","","10.1039/D2CE00760F","","x-ray","0.71073","MoKα","","0.0835","0.0562","","","0.1051","0.1191","","","","","","1.036","","","","has coordinates","278532","2022-10-11","22:42:59",""
"7245654","8.5793","0.001","10.059","0.0011","24.193","0.003","90","","92.552","0.002","90","","2085.8","0.4","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","{[Cu(m-bix)(FDC)(H2O)]?H2O]}n","","","- C20 H20 Cu N4 O7 -","- C20 H20 Cu N4 O7 -","- C80 H80 Cu4 N16 O28 -","4","1","","Li, Yanghua; Liu, Yuqi; Dai, Siyu; Jin, Nanhao; Wang, Xinying; Chen, Han; Liu, Xiaoming; Zhao, Yue; Luo, Huilong; Li, Wei","Two multifunctional Cu(II) coordination complexes with mixed ligands as efficient catalysts for oxygen evolution reaction and photocatalytic degradation of methyl orange azo dyes","CrystEngComm","2022","","","","","10.1039/D2CE00979J","","","0.71073","MoKα","","0.0576","0.0434","","","0.1191","0.1334","","","","","","1.077","","","","has coordinates","278533","2022-10-11","22:43:47",""
"7245655","26.8482","0.0018","10.3399","0.0007","22.165","0.002","90","","125.809","0.001","90","","4990.1","0.7","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","{[Cu2(DAP)4(NIP)2]?DMF]}n","","","- C47 H53 Cu2 N11 O13 -","- C47 H53 Cu2 N11 O13 -","- C188 H212 Cu8 N44 O52 -","4","0.5","","Li, Yanghua; Liu, Yuqi; Dai, Siyu; Jin, Nanhao; Wang, Xinying; Chen, Han; Liu, Xiaoming; Zhao, Yue; Luo, Huilong; Li, Wei","Two multifunctional Cu(II) coordination complexes with mixed ligands as efficient catalysts for oxygen evolution reaction and photocatalytic degradation of methyl orange azo dyes","CrystEngComm","2022","","","","","10.1039/D2CE00979J","","","0.71073","MoKα","","0.0704","0.048","","","0.1269","0.1467","","","","","","1.058","","","","has coordinates,has disorder","278533","2022-10-11","22:43:47",""
"7245667","17.6657","0.0003","11.3205","0.0002","8.8645","0.0002","90","","90","","90","","1772.76","0.06","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C27 H27 N13 O5 Zn2 -","- C27 H27 N13 O5 Zn2 -","- C54 H54 N26 O10 Zn4 -","2","0.5","","Ruan, Mingming; Li, Anqi; Wen, Yaping; Zhou, Lian; Zhang, Jun; Xuan, Xiaopeng","Adenine-based bio-MOFs with high water and acid–base stability for ammonia capture","CrystEngComm","2022","","","","","10.1039/D2CE01092E","","x-ray","1.54184","CuKα","","0.0604","0.0586","","","0.1669","0.1713","","","","","","1.101","","","","has coordinates,has disorder","278554","2022-10-12","22:40:32",""
"7245668","18.0312","0.0005","11.2975","0.0005","8.668","0.0003","90","","90","","90","","1765.74","0.11","170","0.1","170","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H18 N8 O3 Zn -","- C15 H18 N8 O3 Zn -","- C60 H72 N32 O12 Zn4 -","4","1","","Ruan, Mingming; Li, Anqi; Wen, Yaping; Zhou, Lian; Zhang, Jun; Xuan, Xiaopeng","Adenine-based bio-MOFs with high water and acid–base stability for ammonia capture","CrystEngComm","2022","","","","","10.1039/D2CE01092E","","x-ray","1.54184","CuKα","","0.0393","0.0381","","","0.111","0.1132","","","","","","1.121","","","","has coordinates","278554","2022-10-12","22:40:33",""
"7245680","8.1982","0.00011","9.94832","0.00012","11.70649","0.00014","90","","91.4133","0.0012","90","","954.47","0.02","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H10 F4 I2 N4 -","- C18 H10 F4 I2 N4 -","- C36 H20 F8 I4 N8 -","2","0.5","","Yeo, Chien Ing; Tan, Yee Seng; Kwong, Huey Chong; Lee, Vannajan Sanghiran; Tiekink, Edward R. T.","I⋯N halogen bonding in 1 : 1 co-crystals formed between 1,4-diiodotetrafluorobenzene and the isomeric n-pyridinealdazines (n = 2, 3 and 4): assessment of supramolecular association and influence upon solid-state photoluminescence properties","CrystEngComm","2022","","","","","10.1039/D2CE01165D","","","1.54184","CuKα","","0.0315","0.0315","","","0.0826","0.0826","","","","","","1.149","","","","has coordinates","288645","2024-01-03","15:04:00",""
"7245681","10.8401","0.00011","7.44774","0.00007","11.95687","0.00012","90","","100.61","0.001","90","","948.826","0.017","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H10 F4 I2 N4 -","- C18 H10 F4 I2 N4 -","- C36 H20 F8 I4 N8 -","2","0.5","","Yeo, Chien Ing; Tan, Yee Seng; Kwong, Huey Chong; Lee, Vannajan Sanghiran; Tiekink, Edward R. T.","I⋯N halogen bonding in 1 : 1 co-crystals formed between 1,4-diiodotetrafluorobenzene and the isomeric n-pyridinealdazines (n = 2, 3 and 4): assessment of supramolecular association and influence upon solid-state photoluminescence properties","CrystEngComm","2022","","","","","10.1039/D2CE01165D","","","1.54184","CuKα","","0.0248","0.0246","","","0.0657","0.0659","","","","","","1.118","","","","has coordinates","288645","2024-01-03","15:04:00",""
"7245682","24.535","0.0004","4.12409","0.00007","38.7414","0.0006","90","","107.189","0.0017","90","","3744.95","0.11","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C18 H10 F4 I2 N4 -","- C18 H10 F4 I2 N4 -","- C144 H80 F32 I16 N32 -","8","1","","Yeo, Chien Ing; Tan, Yee Seng; Kwong, Huey Chong; Lee, Vannajan Sanghiran; Tiekink, Edward R. T.","I⋯N halogen bonding in 1 : 1 co-crystals formed between 1,4-diiodotetrafluorobenzene and the isomeric n-pyridinealdazines (n = 2, 3 and 4): assessment of supramolecular association and influence upon solid-state photoluminescence properties","CrystEngComm","2022","","","","","10.1039/D2CE01165D","","","1.54184","CuKα","","0.0332","0.0329","","","0.0896","0.0901","","","","","","1.131","","","","has coordinates","288645","2024-01-03","15:04:00",""
"7245683","9.4234","0.0003","14.1143","0.0004","13.3244","0.0004","90","","99.951","0.003","90","","1745.55","0.09","100","","100","","","","","","","","","4","P 1 c 1","P -2yc","7","1SeCB","","","- C14 H11 N Se -","- C14 H11 N Se -","- C84 H66 N6 Se6 -","6","3","","Arakawa, Yuki; Shiba, Takuma; Igawa, Kazunobu; Sasaki, Shunsuke; Tsuji, Hideto","4′-Alkylseleno-4-cyanobiphenyls, nSeCB: synthesis and substituent effects on the phase-transition and liquid crystalline behaviors","CrystEngComm","2022","","","","","10.1039/D2CE00551D","","x-ray","0.71073","MoKα","","0.0229","0.0214","","","0.0465","0.0469","","","","","","1.026","","","","has coordinates","278596","2022-10-14","22:42:54",""
"7245684","12.4003","0.0003","7.1632","0.0001","18.4777","0.0004","90","","92.675","0.0001","90","","1639.51","0.06","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 Cl N2 O3 -","- C18 H17 Cl N2 O3 -","- C72 H68 Cl4 N8 O12 -","4","1","","Bilal, Aqsa; Mehmood, Arshad; Noureen, Sajida; Lecomte, Claude; Ahmed, Maqsood","Crystal Engineering of co-crystal of antipyrine and 2-chlorobenzoic acid: relative energetic contributions based on multipolar refinement","CrystEngComm","2022","","","","","10.1039/D2CE01179D","","","0.71073","MoKα","","0.0431","0.0431","","","0.0312","0.0312","","","","","","1.044","","","","has coordinates","288248","2023-12-12","12:55:28",""
"7245685","12.4003","0.0003","7.1632","0.0001","18.4777","0.0004","90","","92.675","0.001","90","","1639.51","0.06","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 Cl N2 O3 -","- C18 H17 Cl N2 O3 -","- C72 H68 Cl4 N8 O12 -","4","1","","Bilal, Aqsa; Mehmood, Arshad; Noureen, Sajida; Lecomte, Claude; Ahmed, Maqsood","Crystal Engineering of co-crystal of antipyrine and 2-chlorobenzoic acid: relative energetic contributions based on multipolar refinement","CrystEngComm","2022","","","","","10.1039/D2CE01179D","","","0.71073","MoKα","","0.0851","0.0501","","","0.1514","0.1761","","","","","","1.08","","","","has coordinates","278615","2022-10-17","22:38:11",""
"7245688","12.8119","0.0006","17.9369","0.0011","19.3259","0.0011","90","","93.909","0.003","90","","4430.9","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-Bromo-2-(4,5-diphenyl-1-phenyl-1H-imidazol-2-yl)phenol","","- C27 H19 Br N2 O -","- C27 H19 Br N2 O -","- C216 H152 Br8 N16 O8 -","8","1","","Ali, Akbar; Siddique, Abu Bakar; Ahmad, Saeed; Shaheen, Muhammad Ashraf; Tahir, Muhammad Nawaz; Vieira, Lucas Campos Curcino; Muhammad, Shabbir; Siddeeg, Saifeldin M.","Synthesis, Antimicrobial Potential and Computational Studies of Crystalline 4-Bromo-2-(1,4,5-triphenyl-1-H-imidazole-2-yl)phenol and its Metal Complexes","CrystEngComm","2022","","","","","10.1039/D2CE01118B","","","0.71073","MoKα","","0.091","0.041","","","0.0846","0.0985","","","","","","1.017","","","","has coordinates,has disorder","278642","2022-10-19","22:37:29",""
"7245689","11.0799","0.0007","20.0518","0.0014","21.6998","0.0014","90","","102.557","0.001","90","","4705.8","0.5","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C90 H80 Cd7 N12 O34 -","- C90 H80 Cd7 N12 O34 -","- C180 H160 Cd14 N24 O68 -","2","0.5","","Wang, Jun; Xiong, Min; Wu, Jian; Kumar, Abhinav; Guo, Jian; Zhang, Wei; Lu, Lu; Singh, Amita; Muddassir, Mohd.","Construction strategies to modulate the photocatalytic efficiency of Cd(II)-MOFs to photodegrade organic dyes","CrystEngComm","2022","","","","","10.1039/D2CE01281B","","","0.71073","MoKα","","0.0865","0.0547","","","0.1364","0.1586","","","","","","1.082","","","","has coordinates","278671","2022-10-20","22:35:28",""
"7245690","12.678","0.0012","17.8838","0.0017","11.3101","0.0011","90","","101.053","0.002","90","","2516.8","0.4","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H46 Cd3 N8 O14 -","- C52 H46 Cd3 N8 O14 -","- C104 H92 Cd6 N16 O28 -","2","0.5","","Wang, Jun; Xiong, Min; Wu, Jian; Kumar, Abhinav; Guo, Jian; Zhang, Wei; Lu, Lu; Singh, Amita; Muddassir, Mohd.","Construction strategies to modulate the photocatalytic efficiency of Cd(II)-MOFs to photodegrade organic dyes","CrystEngComm","2022","","","","","10.1039/D2CE01281B","","","0.71073","MoKα","","0.0411","0.0295","","","0.0768","0.0905","","","","","","1.14","","","","has coordinates","278671","2022-10-20","22:35:29",""
"7245691","9.3031","0.0012","11.7857","0.0015","14.388","0.0018","67.053","0.002","79.641","0.002","76.947","0.002","1407.8","0.3","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H13 Br F10 N2 Pd S2 -","- C30 H13 Br F10 N2 Pd S2 -","- C60 H26 Br2 F20 N4 Pd2 S4 -","2","1","","Morales-Morales, David; Juarez-Garrido, Hugo; German-Acacio, Juan Manuel; Jaime-Adán, Everardo; Barroso-Flores, Joaquín; Lara, Victor Hugo; Reyes-Martinez, Reyna; Toscano, Ruben Alfredo; Hernandez Ortega, Simon","Synthesis of a Series of Pd(II) Complexes of the Type [Pd(1,10-phen)(SRF)2]·Solvent. An Interesting Case of Solvatomorphism","CrystEngComm","2022","","","","","10.1039/D2CE01319C","","","0.71073","MoKα","","0.0337","0.0302","","","0.0743","0.0761","","","","","","1.06","","","","has coordinates","278672","2022-10-20","22:36:50",""
"7245692","14.509","0.004","26.431","0.008","13.922","0.004","90","","108.714","0.004","90","","5057","3","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H25 Br F16 N4 Pd2 S4 -","- C54 H25 Br F16 N4 Pd2 S4 -","- C216 H100 Br4 F64 N16 Pd8 S16 -","4","1","","Morales-Morales, David; Juarez-Garrido, Hugo; German-Acacio, Juan Manuel; Jaime-Adán, Everardo; Barroso-Flores, Joaquín; Lara, Victor Hugo; Reyes-Martinez, Reyna; Toscano, Ruben Alfredo; Hernandez Ortega, Simon","Synthesis of a Series of Pd(II) Complexes of the Type [Pd(1,10-phen)(SRF)2]·Solvent. An Interesting Case of Solvatomorphism","CrystEngComm","2022","","","","","10.1039/D2CE01319C","","","0.71073","MoKα","","0.0852","0.0526","","","0.1217","0.1377","","","","","","1.001","","","","has coordinates,has disorder","278672","2022-10-20","22:36:50",""
"7245693","14.2508","0.0015","25.66","0.003","13.5876","0.0015","90","","90.514","0.002","90","","4968.5","1","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H26 F16 N4 Pd2 S4 -","- C54 H26 F16 N4 Pd2 S4 -","- C216 H104 F64 N16 Pd8 S16 -","4","1","","Morales-Morales, David; Juarez-Garrido, Hugo; German-Acacio, Juan Manuel; Jaime-Adán, Everardo; Barroso-Flores, Joaquín; Lara, Victor Hugo; Reyes-Martinez, Reyna; Toscano, Ruben Alfredo; Hernandez Ortega, Simon","Synthesis of a Series of Pd(II) Complexes of the Type [Pd(1,10-phen)(SRF)2]·Solvent. An Interesting Case of Solvatomorphism","CrystEngComm","2022","","","","","10.1039/D2CE01319C","","","0.71073","MoKα","","0.077","0.0473","","","0.0931","0.1041","","","","","","1.02","","","","has coordinates,has disorder","278672","2022-10-20","22:36:50",""
"7245694","21.8004","0.0015","7.7043","0.0005","27.2357","0.0019","90","","104.64","0.001","90","","4425.9","0.5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H10 F8 N2 Pd S2 -","- C24 H10 F8 N2 Pd S2 -","- C192 H80 F64 N16 Pd8 S16 -","8","2","","Morales-Morales, David; Juarez-Garrido, Hugo; German-Acacio, Juan Manuel; Jaime-Adán, Everardo; Barroso-Flores, Joaquín; Lara, Victor Hugo; Reyes-Martinez, Reyna; Toscano, Ruben Alfredo; Hernandez Ortega, Simon","Synthesis of a Series of Pd(II) Complexes of the Type [Pd(1,10-phen)(SRF)2]·Solvent. An Interesting Case of Solvatomorphism","CrystEngComm","2022","","","","","10.1039/D2CE01319C","","","0.71073","MoKα","","0.0748","0.0554","","","0.105","0.112","","","","","","1.169","","","","has coordinates","278672","2022-10-20","22:36:50",""
"7245695","14.327","0.005","26.002","0.009","13.617","0.005","90","","91.256","0.005","90","","5072","3","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H25 Cl F16 N4 Pd2 S4 -","- C54 H25 Cl F16 N4 Pd2 S4 -","- C216 H100 Cl4 F64 N16 Pd8 S16 -","4","1","","Morales-Morales, David; Juarez-Garrido, Hugo; German-Acacio, Juan Manuel; Jaime-Adán, Everardo; Barroso-Flores, Joaquín; Lara, Victor Hugo; Reyes-Martinez, Reyna; Toscano, Ruben Alfredo; Hernandez Ortega, Simon","Synthesis of a Series of Pd(II) Complexes of the Type [Pd(1,10-phen)(SRF)2]·Solvent. An Interesting Case of Solvatomorphism","CrystEngComm","2022","","","","","10.1039/D2CE01319C","","","0.71073","MoKα","","0.0548","0.0368","","","0.0872","0.096","","","","","","1.01","","","","has coordinates,has disorder","278672","2022-10-20","22:36:50",""
"7245696","7.539","0.003","11.02","0.005","12.373","0.006","101.973","0.016","101.819","0.016","109.72","0.015","903.5","0.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H10 I2 N6 S2 Zn -","- C12 H10 I2 N6 S2 Zn -","- C24 H20 I4 N12 S4 Zn2 -","2","1","","Pylova, Ekaterina Konstantinovna; Khisamov, Radmir M.; Bashirov, Denis Aleksandrovich; Sukhikh, Taisiya Sergeevna; Konchenko, Sergey Nikolaevich","The effect of halides and coordination mode of 4-amino-2,1,3-benzothiadiazole on the luminescence properties of its Zn complexes","CrystEngComm","2022","","","","","10.1039/D2CE01215D","","","0.71073","MoKα","","0.0514","0.0314","","","0.0553","0.0609","","","","","","1.003","","","","has coordinates","278674","2022-10-20","22:38:26",""
"7245697","5.971","0.0005","7.5328","0.0007","11.7015","0.001","79.032","0.003","78.762","0.003","77.37","0.003","497.7","0.08","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H5 Br2 N3 S Zn -","- C6 H5 Br2 N3 S Zn -","- C12 H10 Br4 N6 S2 Zn2 -","2","1","","Pylova, Ekaterina Konstantinovna; Khisamov, Radmir M.; Bashirov, Denis Aleksandrovich; Sukhikh, Taisiya Sergeevna; Konchenko, Sergey Nikolaevich","The effect of halides and coordination mode of 4-amino-2,1,3-benzothiadiazole on the luminescence properties of its Zn complexes","CrystEngComm","2022","","","","","10.1039/D2CE01215D","","","0.71073","MoKα","","0.026","0.0214","","","0.0494","0.0508","","","","","","1.037","","","","has coordinates","278674","2022-10-20","22:38:26",""
"7245698","14.5768","0.0005","10.8025","0.0004","7.0493","0.0002","90","","95.84","0.001","90","","1104.26","0.06","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C6 H5 I2 N3 S Zn -","- C6 H5 I2 N3 S Zn -","- C24 H20 I8 N12 S4 Zn4 -","4","1","","Pylova, Ekaterina Konstantinovna; Khisamov, Radmir M.; Bashirov, Denis Aleksandrovich; Sukhikh, Taisiya Sergeevna; Konchenko, Sergey Nikolaevich","The effect of halides and coordination mode of 4-amino-2,1,3-benzothiadiazole on the luminescence properties of its Zn complexes","CrystEngComm","2022","","","","","10.1039/D2CE01215D","","","0.71073","MoKα","","0.0366","0.0337","","","0.0782","0.0793","","","","","","1.08","","","","has coordinates,has disorder","278674","2022-10-20","22:38:26",""
"7245699","27.4418","0.0012","4.7724","0.0002","12.8595","0.0005","90","","102.417","0.002","90","","1644.73","0.12","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Br2 N6 S2 Zn -","- C12 H10 Br2 N6 S2 Zn -","- C48 H40 Br8 N24 S8 Zn4 -","4","0.5","","Pylova, Ekaterina Konstantinovna; Khisamov, Radmir M.; Bashirov, Denis Aleksandrovich; Sukhikh, Taisiya Sergeevna; Konchenko, Sergey Nikolaevich","The effect of halides and coordination mode of 4-amino-2,1,3-benzothiadiazole on the luminescence properties of its Zn complexes","CrystEngComm","2022","","","","","10.1039/D2CE01215D","","","0.71073","MoKα","","0.0325","0.0245","","","0.0577","0.0607","","","","","","1.038","","","","has coordinates","278674","2022-10-20","22:38:26",""
"7245700","14.5782","0.0006","32.4028","0.0012","7.0488","0.0003","90","","95.846","0.002","90","","3312.4","0.2","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C6 H5 I2 N3 S Zn -","- C6 H5 I2 N3 S Zn -","- C72 H60 I24 N36 S12 Zn12 -","12","3","","Pylova, Ekaterina Konstantinovna; Khisamov, Radmir M.; Bashirov, Denis Aleksandrovich; Sukhikh, Taisiya Sergeevna; Konchenko, Sergey Nikolaevich","The effect of halides and coordination mode of 4-amino-2,1,3-benzothiadiazole on the luminescence properties of its Zn complexes","CrystEngComm","2022","","","","","10.1039/D2CE01215D","","","0.71073","MoKα","","0.0646","0.0566","","","0.1464","0.1527","","","","","","1.049","","","","has coordinates,has disorder","278674","2022-10-20","22:38:26",""
"7245701","14.789","0.0004","9.6838","0.0003","28.169","0.0007","90","","90","","90","","4034.19","0.19","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C38 H43 N3 O18 U -","- C38 H43 N3 O18 U -","- C152 H172 N12 O72 U4 -","4","1","","Kusumoto, Sotaro; Atoini, Youssef; Masuda, Shunya; Koide, Yoshihiro; Kim, Jee Young; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Varied role of organic carboxylate dizwitterions and anionic donors in mixed-ligand uranyl ion coordination polymers","CrystEngComm","2022","","","","","10.1039/D2CE01187E","","","0.71073","MoKα","","0.0215","0.0187","","","0.0424","0.0437","","","","","","1.045","","","","has coordinates","278717","2022-10-21","22:11:44",""
"7245702","9.2147","0.0004","14.8422","0.0005","17.7684","0.0005","96.2142","0.0011","90.5305","0.0015","91.3134","0.0017","2415.04","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C86 H96 N6 O34 S2 U2 -","- C86 H96 N6 O34 S2 U2 -","- C86 H96 N6 O34 S2 U2 -","1","0.5","","Kusumoto, Sotaro; Atoini, Youssef; Masuda, Shunya; Koide, Yoshihiro; Kim, Jee Young; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Varied role of organic carboxylate dizwitterions and anionic donors in mixed-ligand uranyl ion coordination polymers","CrystEngComm","2022","","","","","10.1039/D2CE01187E","","","0.71073","MoKα","","0.0225","0.0209","","","0.0521","0.0528","","","","","","1.067","","","","has coordinates","278717","2022-10-21","22:11:44",""
"7245703","13.2023","0.0007","31.6383","0.0017","15.1219","0.0008","90","","97.7928","0.0016","90","","6258.1","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C108 H108 N6 O60 S6 U6 -","- C108 H96 N6 O60 S6 U6 -","- C216 H192 N12 O120 S12 U12 -","2","0.5","","Kusumoto, Sotaro; Atoini, Youssef; Masuda, Shunya; Koide, Yoshihiro; Kim, Jee Young; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Varied role of organic carboxylate dizwitterions and anionic donors in mixed-ligand uranyl ion coordination polymers","CrystEngComm","2022","","","","","10.1039/D2CE01187E","","","0.71073","MoKα","","0.0707","0.0643","","","0.1598","0.1634","","","","","","1.175","","","","has coordinates,has disorder","278717","2022-10-21","22:11:44",""
"7245704","9.6207","0.0007","11.1875","0.0006","19.8035","0.0017","90","","92.098","0.003","90","","2130.1","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H35 N2 O19.5 S2 U2 -","- C38 H35 N2 O19.5 S2 U2 -","- C76 H70 N4 O39 S4 U4 -","2","0.5","","Kusumoto, Sotaro; Atoini, Youssef; Masuda, Shunya; Koide, Yoshihiro; Kim, Jee Young; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Varied role of organic carboxylate dizwitterions and anionic donors in mixed-ligand uranyl ion coordination polymers","CrystEngComm","2022","","","","","10.1039/D2CE01187E","","","0.71073","MoKα","","0.0209","0.0173","","","0.0362","0.0376","","","","","","1.053","","","","has coordinates","278717","2022-10-21","22:11:44",""
"7245705","17.7606","0.0004","12.5624","0.0003","16.849","0.0004","90","","115.386","0.0009","90","","3396.28","0.14","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H33 Cl0.2 N2.8 O19.4 U3 -","- C24 H33 Cl0.2 N2.8 O19.4 U3 -","- C96 H132 Cl0.8 N11.2 O77.6 U12 -","4","1","","Kusumoto, Sotaro; Atoini, Youssef; Masuda, Shunya; Koide, Yoshihiro; Kim, Jee Young; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Varied role of organic carboxylate dizwitterions and anionic donors in mixed-ligand uranyl ion coordination polymers","CrystEngComm","2022","","","","","10.1039/D2CE01187E","","","0.71073","MoKα","","0.0232","0.0194","","","0.0442","0.0458","","","","","","1.076","","","","has coordinates,has disorder","278717","2022-10-21","22:11:44",""
"7245706","39.0954","0.0015","12.9175","0.0006","20.067","0.0006","90","","93.649","0.003","90","","10113.6","0.7","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C30 H32 N2 -","- C30 H32 N2 -","- C480 H512 N32 -","16","2","","Wang, Zhen; Cui, Xiaoxiao; Famulari, Antonino; Marti-Rujas, Javier; Kariuki, Benson; Guo, Fang","Solid-state stability of Z’ < 1 and Z’ = 2 polymorphs of N,N,N’,N’-tetrabenzylethylenediamine: a combined experimental and theoretical study.","CrystEngComm","2022","","","","","10.1039/D2CE01174C","","","1.54184","CuKα","","0.0913","0.0683","","","0.1993","0.2334","","","","","","1.046","","","","has coordinates","278718","2022-10-21","22:12:38",""
"7245707","6.356","0.004","9.042","0.006","11.117","0.007","76.992","0.008","86.676","0.007","79.275","0.008","611.5","0.7","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H16 N -","- C15 H16 N -","- C30 H32 N2 -","2","1","","Wang, Zhen; Cui, Xiaoxiao; Famulari, Antonino; Marti-Rujas, Javier; Kariuki, Benson; Guo, Fang","Solid-state stability of Z’ < 1 and Z’ = 2 polymorphs of N,N,N’,N’-tetrabenzylethylenediamine: a combined experimental and theoretical study.","CrystEngComm","2022","","","","","10.1039/D2CE01174C","","","0.71073","MoKα","","0.106","0.0464","","","0.1249","0.1497","","","","","","1.099","","","","has coordinates","278718","2022-10-21","22:12:39",""
"7245708","11.9497","0.0005","11.9497","0.0005","11.9497","0.0005","90","","90","","90","","1706.36","0.12","298","2","298","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Eu2.22 Ga11 Sn35 -","- Eu2.216 Ga10.996 Sn35.004 -","- Eu2.216 Ga10.996 Sn35.004 -","1","0.0208333","","Gunatilleke, Wilarachchige D. C. B.; Wong-Ng, Winnie; Zavalij, Peter Y.; Zhang, Mingjian; Chen, Yu-Sheng; Nolas, George S.","Revealing uncommon transport in the previously unascertained very low cation clathrate-I Eu2Ga11Sn35","CrystEngComm","2023","25","1","48","52","10.1039/D2CE01026G","","","0.41328","SynchrotronX-ray","","0.0095","0.0095","","","0.0215","0.0216","","","","","","1.224","","","","has coordinates","281407","2023-03-04","18:08:30",""
"7245709","20.7129","0.0008","20.7129","0.0008","77.627","0.003","90","","90","","120","","28842","1.9","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C90 H48 O43 S6 Zn7 -","- C90 H48 O42.9999 S6 Zn7 -","- C540 H288 O257.999 S36 Zn42 -","6","0.166667","","Du, Yanfang; Wang, Xi-Xi; Cheng, Ai-Ling; Wang, Yuanyuan; Gao, En-Qing","A new multifunctional anionic 3D Zn(II)-MOF based on heptanuclear clusters: selective adsorption of organic dyes and dual-emitting sensor for nitroantibiotics","CrystEngComm","2022","","","","","10.1039/D2CE01218A","","","1.54184","CuKα","","0.1155","0.0934","","","0.2898","0.313","","","","","","1.064","","","","has coordinates","278755","2022-10-24","22:49:47",""
"7245710","11.2631","0.0002","12.6103","0.0003","13.5574","0.0003","89.5485","0.0016","75.1425","0.0017","88.066","0.0016","1860.13","0.07","172.99","0.1","172.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C43 H36 Br Cu N4 P2 -","- C43 H36 Br Cu N4 P2 -","- C86 H72 Br2 Cu2 N8 P4 -","2","1","","Li, Zi-Xi; Sun, Zhen-Zhou; Wang, Guo; Yang, Wei; Han, Hong-Liang; Yang, Yu-Ping; Li, Zhong-Feng; Dai, Lixiong; Yao, Yi-Shan; Jin, Qiong-Hua","Study on the luminescence properties of ionic [Cu(N^N)(P^P)]+ complexes: influence of ligands, counteranions and weak interactions","CrystEngComm","2022","","","","","10.1039/D2CE01177H","","x-ray","1.54184","CuKα","","0.0424","0.0411","","","0.1094","0.1108","","","","","","1.058","","","","has coordinates","278783","2022-10-25","22:44:56",""
"7245711","11.1563","0.0006","12.5587","0.0005","13.446","0.0008","88.946","0.004","75.334","0.005","87.123","0.004","1820.19","0.17","114.95","0.1","114.95","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C43 H36 Cl Cu N4 P2 -","- C43 H36 Cl Cu N4 P2 -","- C86 H72 Cl2 Cu2 N8 P4 -","2","1","","Li, Zi-Xi; Sun, Zhen-Zhou; Wang, Guo; Yang, Wei; Han, Hong-Liang; Yang, Yu-Ping; Li, Zhong-Feng; Dai, Lixiong; Yao, Yi-Shan; Jin, Qiong-Hua","Study on the luminescence properties of ionic [Cu(N^N)(P^P)]+ complexes: influence of ligands, counteranions and weak interactions","CrystEngComm","2022","","","","","10.1039/D2CE01177H","","x-ray","0.71073","MoKα","","0.058","0.0436","","","0.0895","0.0987","","","","","","1.043","","","","has coordinates","278783","2022-10-25","22:44:56",""
"7245712","11.4117","0.0002","12.5516","0.0002","13.6513","0.0002","90.828","0.001","105.286","0.001","90.71","0.001","1885.71","0.05","106","9","106","9","","","","","","","","6","P -1","-P 1","2","","","","- C43 H36 Cu I N4 P2 -","- C43 H36 Cu I N4 P2 -","- C86 H72 Cu2 I2 N8 P4 -","2","1","","Li, Zi-Xi; Sun, Zhen-Zhou; Wang, Guo; Yang, Wei; Han, Hong-Liang; Yang, Yu-Ping; Li, Zhong-Feng; Dai, Lixiong; Yao, Yi-Shan; Jin, Qiong-Hua","Study on the luminescence properties of ionic [Cu(N^N)(P^P)]+ complexes: influence of ligands, counteranions and weak interactions","CrystEngComm","2022","","","","","10.1039/D2CE01177H","","x-ray","1.54184","CuKα","","0.0423","0.0417","","","0.1073","0.1078","","","","","","1.052","","","","has coordinates","278783","2022-10-25","22:44:57",""
"7245713","9.00616","0.00016","11.8692","0.0002","20.3177","0.0003","93.1111","0.0014","95.7313","0.0013","107.25","0.0017","2055.76","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H36 Cu I N6 P2 -","- C45 H36 Cu I N6 P2 -","- C90 H72 Cu2 I2 N12 P4 -","2","1","","Li, Zi-Xi; Sun, Zhen-Zhou; Wang, Guo; Yang, Wei; Han, Hong-Liang; Yang, Yu-Ping; Li, Zhong-Feng; Dai, Lixiong; Yao, Yi-Shan; Jin, Qiong-Hua","Study on the luminescence properties of ionic [Cu(N^N)(P^P)]+ complexes: influence of ligands, counteranions and weak interactions","CrystEngComm","2022","","","","","10.1039/D2CE01177H","","x-ray","1.54184","CuKα","","0.0367","0.0343","","","0.0937","0.0956","","","","","","1.091","","","","has coordinates","278783","2022-10-25","22:44:57",""
"7245714","11.25791","0.00012","12.89731","0.00014","14.11533","0.00015","84.5814","0.0009","72.0161","0.001","86.2523","0.0009","1939.24","0.04","132.99","0.1","132.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C44 H36 Cu N5 P2 S -","- C44 H36 Cu N5 P2 S -","- C88 H72 Cu2 N10 P4 S2 -","2","1","","Li, Zi-Xi; Sun, Zhen-Zhou; Wang, Guo; Yang, Wei; Han, Hong-Liang; Yang, Yu-Ping; Li, Zhong-Feng; Dai, Lixiong; Yao, Yi-Shan; Jin, Qiong-Hua","Study on the luminescence properties of ionic [Cu(N^N)(P^P)]+ complexes: influence of ligands, counteranions and weak interactions","CrystEngComm","2022","","","","","10.1039/D2CE01177H","","x-ray","1.54184","CuKα","","0.0375","0.0347","","","0.0958","0.0974","","","","","","1.073","","","","has coordinates","278783","2022-10-25","22:44:57",""
"7245715","9.85352","0.00009","12.5923","0.00011","18.04231","0.00013","92.8536","0.0006","97.8598","0.0007","112.288","0.0009","2039.29","0.03","297.3","0.1","297.3","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C46 H36 Cu N7 P2 S -","- C46 H36 Cu N7 P2 S -","- C92 H72 Cu2 N14 P4 S2 -","2","1","","Li, Zi-Xi; Sun, Zhen-Zhou; Wang, Guo; Yang, Wei; Han, Hong-Liang; Yang, Yu-Ping; Li, Zhong-Feng; Dai, Lixiong; Yao, Yi-Shan; Jin, Qiong-Hua","Study on the luminescence properties of ionic [Cu(N^N)(P^P)]+ complexes: influence of ligands, counteranions and weak interactions","CrystEngComm","2022","","","","","10.1039/D2CE01177H","","x-ray","1.54184","CuKα","","0.046","0.0437","","","0.1196","0.1216","","","","","","1.029","","","","has coordinates","278783","2022-10-25","22:44:57",""
"7245716","12.9413","0.0001","16.4751","0.0001","21.8307","0.0002","90","","100.304","0.001","90","","4579.44","0.06","286","6","286","6","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H48 Br Cu N6 O3 P2 -","- C48 H48 Br Cu N6 O3 P2 -","- C192 H192 Br4 Cu4 N24 O12 P8 -","4","1","","Li, Zi-Xi; Sun, Zhen-Zhou; Wang, Guo; Yang, Wei; Han, Hong-Liang; Yang, Yu-Ping; Li, Zhong-Feng; Dai, Lixiong; Yao, Yi-Shan; Jin, Qiong-Hua","Study on the luminescence properties of ionic [Cu(N^N)(P^P)]+ complexes: influence of ligands, counteranions and weak interactions","CrystEngComm","2022","","","","","10.1039/D2CE01177H","","x-ray","1.54184","CuKα","","0.061","0.0554","","","0.1498","0.1551","","","","","","1.028","","","","has coordinates","278783","2022-10-25","22:44:57",""
"7245717","12.8638","0.0013","16.3836","0.0019","21.892","0.002","90","","100.136","0.004","90","","4541.8","0.8","298","2","298.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H48 Cl Cu N6 O3 P2 -","- C48 H48 Cl Cu N6 O3 P2 -","- C192 H192 Cl4 Cu4 N24 O12 P8 -","4","1","","Li, Zi-Xi; Sun, Zhen-Zhou; Wang, Guo; Yang, Wei; Han, Hong-Liang; Yang, Yu-Ping; Li, Zhong-Feng; Dai, Lixiong; Yao, Yi-Shan; Jin, Qiong-Hua","Study on the luminescence properties of ionic [Cu(N^N)(P^P)]+ complexes: influence of ligands, counteranions and weak interactions","CrystEngComm","2022","","","","","10.1039/D2CE01177H","","","0.71073","MoKα","","0.0969","0.0465","","","0.107","0.1258","","","","","","0.958","","","","has coordinates,has disorder","278784","2022-10-25","22:46:03",""
"7245721","4.807","0.0004","15.1947","0.0009","7.8938","0.0006","90","","90","","90","","576.57","0.07","100.8","0.4","100.8","0.4","","","","","","","","4","A m m 2","A 2 -2","38","[Eu(ox)0.5(CO3)(H2O)]","Europium(III) Carbonate Hemioxalate Hydrate","","- C2 H2 Eu O6 -","- C2 H2 Eu O6 -","- C8 H8 Eu4 O24 -","4","0.5","","Takano, Rina; Ishida, Takayuki; Ay, Burak","Synthesis, crystal structure, and luminescence properties of a three-dimensional coordination polymer from europium(iii) carbonate hemioxalate hydrate","CrystEngComm","2022","","","","","10.1039/D2CE01105K","","x-ray","0.71073","MoKα","","0.0224","0.0213","","","0.0519","0.0527","","","","","","1.0629","","","","has coordinates","278821","2022-10-26","22:54:53",""
"7245722","11.0002","0.0006","9.8052","0.0007","34.289","0.002","90","","90","","90","","3698.4","0.4","300","","300","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Terpy_naph","","- C25 H17 N3 -","- C25 H17 N3 -","- C200 H136 N24 -","8","1","","Kusumoto, Sotaro; Oishi, Karin; Nakaya, Manabu; Suzuki, Ryo; Tachibana, Masaru; Kim, Yang; Koide, Yoshihiro; Hayami, Shinya","Multi-faceted elastic flexibility of 1-naphthyl and 9-anthryl 2,2’:6’,2’’-terpyridine crystals","CrystEngComm","2022","","","","","10.1039/D2CE01167K","","x-ray","0.71073","MoKα","","0.1125","0.0638","","","0.1603","0.1974","","","","","","1.056","","","","has coordinates","278822","2022-10-26","22:55:27",""
"7245723","12.7668","0.0017","14.431","0.0016","11.6963","0.0018","90","","104.463","0.012","90","","2086.6","0.5","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H19 N3 -","- C29 H19 N3 -","- C116 H76 N12 -","4","1","","Kusumoto, Sotaro; Oishi, Karin; Nakaya, Manabu; Suzuki, Ryo; Tachibana, Masaru; Kim, Yang; Koide, Yoshihiro; Hayami, Shinya","Multi-faceted elastic flexibility of 1-naphthyl and 9-anthryl 2,2’:6’,2’’-terpyridine crystals","CrystEngComm","2022","","","","","10.1039/D2CE01167K","","x-ray","0.71073","MoKα","","0.2329","0.0841","","","0.1953","0.2924","","","","","","0.957","","","","has coordinates","278822","2022-10-26","22:55:28",""
"7245724","8.557","0.0006","29.967","0.002","11.5654","0.0009","90","","111.625","0.002","90","","2757","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H36 N8 O3 -","- C29 H36 N8 O3 -","- C116 H144 N32 O12 -","4","1","","Mannava, Murali Krishna Chaitanya M.K.; Garai, Abhijit; Bommaka, Manish Kumar; Solomon, K. Anand; Nangia, Ashwini","Solubility and permeability enhancement of BCS Class IV drug Ribociclib through cocrystallization","CrystEngComm","2022","","","","","10.1039/D2CE01288J","","","0.71073","MoKα","","0.1928","0.0733","","","0.1584","0.2015","","","","","","1.016","","","","has coordinates","278823","2022-10-26","22:56:21",""
"7245725","7.5763","0.0006","25.947","0.002","12.1602","0.001","90","","100.659","0.004","90","","2349.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H32 N8 O2 -","- C23 H32 N8 O2 -","- C92 H128 N32 O8 -","4","1","","Mannava, Murali Krishna Chaitanya M.K.; Garai, Abhijit; Bommaka, Manish Kumar; Solomon, K. Anand; Nangia, Ashwini","Solubility and permeability enhancement of BCS Class IV drug Ribociclib through cocrystallization","CrystEngComm","2022","","","","","10.1039/D2CE01288J","","","0.71073","MoKα","","0.1211","0.0734","","","0.1889","0.2192","","","","","","1.065","","","","has coordinates","278823","2022-10-26","22:56:21",""
"7245726","11.9881","0.0008","8.0148","0.0005","32.4063","0.0019","90","","93.301","0.002","90","","3108.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H40 N8 O6 -","- C31 H40 N8 O6 -","- C124 H160 N32 O24 -","4","1","","Mannava, Murali Krishna Chaitanya M.K.; Garai, Abhijit; Bommaka, Manish Kumar; Solomon, K. Anand; Nangia, Ashwini","Solubility and permeability enhancement of BCS Class IV drug Ribociclib through cocrystallization","CrystEngComm","2022","","","","","10.1039/D2CE01288J","","","0.71073","MoKα","","0.0993","0.0667","","","0.171","0.1922","","","","","","0.991","","","","has coordinates","278823","2022-10-26","22:56:21",""
"7245728","5.1177","0.0003","9.8637","0.0007","12.9604","0.0009","89.108","0.006","85.44","0.006","75.799","0.006","632.23","0.07","273","","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C5 H13 Cd1.5 N2 O10 P2 -","- C5 H13 Cd1.5 N2 O10 P2 -","- C10 H26 Cd3 N4 O20 P4 -","2","1","","Wang, Yi-xin; Zhou, Jing-hui; Xiong, Jun; Huang, Wan-qi; Li, Quan; Min, Xue; Li, Ming","Metal phosphonates as heterogeneous catalysts for highly efficient chemical fixation of CO2 under mild conditions","CrystEngComm","2022","","","","","10.1039/D2CE01162J","","x-ray","0.71073","MoKα","","0.03","0.0274","","","0.0669","0.0688","","","","","","1.045","","","","has coordinates","278837","2022-10-27","22:31:28",""
"7245729","6.9845","0.0008","9.7165","0.0011","9.7438","0.001","78.978","0.002","88.949","0.002","79.339","0.002","637.76","0.12","273.15","","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C5 H9 Co1.5 N2 O12 P3 -","- C5 H9 Co1.5 N2 O12 P3 -","- C10 H18 Co3 N4 O24 P6 -","2","1","","Wang, Yi-xin; Zhou, Jing-hui; Xiong, Jun; Huang, Wan-qi; Li, Quan; Min, Xue; Li, Ming","Metal phosphonates as heterogeneous catalysts for highly efficient chemical fixation of CO2 under mild conditions","CrystEngComm","2022","","","","","10.1039/D2CE01162J","","","0.71073","MoKα","","0.0746","0.0679","","","0.2081","0.2168","","","","","","1.108","","","","has coordinates,has disorder","278837","2022-10-27","22:31:29",""
"7245740","19.4896","0.0006","9.8579","0.0003","23.1307","0.0007","90","","90.091","0.003","90","","4444","0.2","233","2","233","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C28 H56 Eu K N12 O24 -","- C28 H56 Eu K N12 O24 -","- C112 H224 Eu4 K4 N48 O96 -","4","0.5","","Li, Duo-Fu; Guo, Feng; He, Xiao-Li; Wu, Yao-Zhen; Deng, Xiang-Hong; Yang, Kang-Ping; Sui, Yan; Li, Yongxiu","A Layered Hybrid Rare-Earth Double Perovskite with Two Continuous Reversible Phase Transitions Induced By Unusual Two Driving Gears of Fan-Like Rotation Movements","CrystEngComm","2022","","","","","10.1039/D2CE01297A","","","0.71073","MoKα","","0.035","0.0293","","","0.0717","0.0743","","","","","","1.106","","","","has coordinates","278884","2022-11-01","08:47:32",""
"7245741","9.7896","0.0005","9.8968","0.0005","12.608","0.0011","67.444","0.006","89.728","0.005","89.703","0.004","1128.07","0.14","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H56 Eu K N12 O24 -","- C28 H56 Eu K N12 O24 -","- C28 H56 Eu K N12 O24 -","1","0.5","","Li, Duo-Fu; Guo, Feng; He, Xiao-Li; Wu, Yao-Zhen; Deng, Xiang-Hong; Yang, Kang-Ping; Sui, Yan; Li, Yongxiu","A Layered Hybrid Rare-Earth Double Perovskite with Two Continuous Reversible Phase Transitions Induced By Unusual Two Driving Gears of Fan-Like Rotation Movements","CrystEngComm","2022","","","","","10.1039/D2CE01297A","","","0.71073","MoKα","","0.0268","0.0268","","","0.066","0.066","","","","","","1.057","","","","has coordinates,has disorder","278884","2022-11-01","08:47:32",""
"7245742","23.6915","0.0011","9.7624","0.0003","9.9066","0.0004","90","","90","","90","","2291.26","0.16","313","2","313","2","","","","","","","","6","P m m a","-P 2a 2a","51","","","","- C28 H56 Eu K N12 O24 -","- C26 Eu K N14 O24 -","- C52 Eu2 K2 N28 O48 -","2","0.25","","Li, Duo-Fu; Guo, Feng; He, Xiao-Li; Wu, Yao-Zhen; Deng, Xiang-Hong; Yang, Kang-Ping; Sui, Yan; Li, Yongxiu","A Layered Hybrid Rare-Earth Double Perovskite with Two Continuous Reversible Phase Transitions Induced By Unusual Two Driving Gears of Fan-Like Rotation Movements","CrystEngComm","2022","","","","","10.1039/D2CE01297A","","","0.71073","MoKα","","0.0654","0.0549","","","0.1426","0.1523","","","","","","1.057","","","","has coordinates,has disorder","278884","2022-11-01","08:47:32",""
"7245743","11.0146","0.0006","13.1035","0.0006","6.7957","0.0004","90","","103.571","0.006","90","","953.44","0.09","295.1","0.1","295.1","0.1","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- C25 H14 N4 -","- C25 H14 N4 -","- C50 H28 N8 -","2","0.25","","Liu, Xiao-Xu; Shi, Pan; Dai, Xia-Lin; Huang, Yong-Liang; Lu, Tongbu; Chen, Jia-Mei","Photophysics of charge transfer cocrystals composed of fluorene and its heterocyclic analogues as donors and TCNQ as an acceptor","CrystEngComm","2022","","","","","10.1039/D2CE01232D","","x-ray","1.54184","CuKα","","0.0493","0.0412","","","0.1185","0.1274","","","","","","1.075","","","","has coordinates,has disorder","278885","2022-11-01","08:48:22",""
"7245744","6.7631","0.0011","8.0049","0.0016","9.0066","0.0011","99.642","0.013","97.616","0.011","100.727","0.015","465.52","0.14","293.39","0.1","293.39","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C24 H12 N4 O -","- C24 H12 N4 O -","- C24 H12 N4 O -","1","0.5","","Liu, Xiao-Xu; Shi, Pan; Dai, Xia-Lin; Huang, Yong-Liang; Lu, Tongbu; Chen, Jia-Mei","Photophysics of charge transfer cocrystals composed of fluorene and its heterocyclic analogues as donors and TCNQ as an acceptor","CrystEngComm","2022","","","","","10.1039/D2CE01232D","","x-ray","1.54184","CuKα","","0.0665","0.0543","","","0.1622","0.1672","","","","","","1.2","","","","has coordinates,has disorder","278885","2022-11-01","08:48:22",""
"7245745","6.8406","0.0001","8.914","0.0002","16.3304","0.0003","100.164","0.002","98.574","0.002","98.373","0.002","953.96","0.03","295.07","0.17","295.07","0.17","","","","","","","","4","P -1","-P 1","2","","","","- C24 H12 N4 S -","- C24 H12 N4 S -","- C48 H24 N8 S2 -","2","1","","Liu, Xiao-Xu; Shi, Pan; Dai, Xia-Lin; Huang, Yong-Liang; Lu, Tongbu; Chen, Jia-Mei","Photophysics of charge transfer cocrystals composed of fluorene and its heterocyclic analogues as donors and TCNQ as an acceptor","CrystEngComm","2022","","","","","10.1039/D2CE01232D","","x-ray","1.54184","CuKα","","0.0796","0.0714","","","0.2023","0.2094","","","","","","1.063","","","","has coordinates","278885","2022-11-01","08:48:22",""
"7245749","16.5095","0.0007","16.5095","0.0007","24.5306","0.0018","90","","90","","120","","5790.4","0.5","173","","173","","","","","","","","","4","P 3 1 c","P 3 -2c","159","","","","- C60 H28 O33 Zn6 -","- C60 H27.9997 O32.9999 Zn6 -","- C120 H55.9994 O65.9998 Zn12 -","2","0.333333","","Duan, Hai-Yu; Li, Xiu-Yuan; Zhang, Chen-Xu; He, Chaozheng","A novel trigonal bipyramidal cage-based Zn(ii)-MOF featuring two types of trinuclear clusters with high gas sorption properties","CrystEngComm","2022","","","","","10.1039/D2CE01399A","","","0.71073","MoKα","","0.1441","0.0983","","","0.2551","0.2831","","","","","","0.901","","","","has coordinates,has disorder","278905","2022-11-01","23:32:55",""
"7245750","9.7289","0.0002","13.9219","0.0002","8.9307","0.0002","90","","113.773","0.001","90","","1106.98","0.04","113","2","113","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C3 H11 Cl3 N2 O Pb S -","- C3 H11 Cl3 N2 O Pb S -","- C12 H44 Cl12 N8 O4 Pb4 S4 -","4","1","","Saito, Noriko; Matsushita, Yoshitaka; Ohsawa, Takeo; Segawa, Hiroyo; Ohashi, Naoki","Crystal structure of formamidinium–lead–chloride–dimethyl sulfoxide and phase relationship of related crystalline systems","CrystEngComm","2022","","","","","10.1039/D2CE00889K","","","0.71073","MoKα","","0.0118","0.0111","","","0.0264","0.0267","","","","","","1.106","","","","has coordinates","278935","2022-11-03","23:36:45",""
"7245751","9.8864","0.0004","14.1043","0.0004","9.0106","0.0003","90","","113.211","0.005","90","","1154.75","0.08","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C3 H11 Cl3 N2 O Pb S -","- C3 H11 Cl3 N2 O Pb S -","- C12 H44 Cl12 N8 O4 Pb4 S4 -","4","1","","Saito, Noriko; Matsushita, Yoshitaka; Ohsawa, Takeo; Segawa, Hiroyo; Ohashi, Naoki","Crystal structure of formamidinium–lead–chloride–dimethyl sulfoxide and phase relationship of related crystalline systems","CrystEngComm","2022","","","","","10.1039/D2CE00889K","","x-ray","0.71073","MoKα","","0.0382","0.0256","","","0.0402","0.0422","","","","","","1.05","","","","has coordinates","278935","2022-11-03","23:36:54",""
"7245752","9.589","0.002","12.661","0.003","11.779","0.003","90","","90","","90","","1430","0.6","100","2","100.15","","","","","","","","","4","P n a 21","P 2c -2n","33","Fmoc-b-cyclopropyl-(S)-Ala-OH","(2S)-2-[cyclopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid","","- C13 H21 N O5 -","- C13 H21 N O5 -","- C52 H84 N4 O20 -","4","1","","Bojarska, Joanna; Wolf, Wojciech M.; Fruziński, Andrzej; Kaczmarek, Krzysztof; Lesnikowski, Zbigniew J.; Kraj, Agata; Zielenkiewicz, Piotr; Madura, Izabela Dorota; Borowiecki, Paweł; Remko, Milan; Breza, Martin","Supramolecular synthon hierarchy in cyclopropyl-containing peptide-derived compounds","CrystEngComm","2022","","","","","10.1039/D2CE01231F","","","0.71073","MoKα","","0.0586","0.0533","","","0.1336","0.1381","","","","","","1.013","","","","has coordinates","278944","2022-11-04","23:34:25",""
"7245753","7.49868","0.00019","8.0934","0.0002","9.4854","0.0002","83.844","0.002","73.807","0.002","69.194","0.003","516.76","0.02","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-(cyclopropylmethyl)-2-acetamidopropanedioic acid","","- C9 H13 N O5 -","- C9 H13 N O5 -","- C18 H26 N2 O10 -","2","1","","Bojarska, Joanna; Wolf, Wojciech M.; Fruziński, Andrzej; Kaczmarek, Krzysztof; Lesnikowski, Zbigniew J.; Kraj, Agata; Zielenkiewicz, Piotr; Madura, Izabela Dorota; Borowiecki, Paweł; Remko, Milan; Breza, Martin","Supramolecular synthon hierarchy in cyclopropyl-containing peptide-derived compounds","CrystEngComm","2022","","","","","10.1039/D2CE01231F","","","1.54184","CuKα","","0.0286","0.0282","","","0.0716","0.0719","","","","","","1.056","","","","has coordinates","278944","2022-11-04","23:34:26",""
"7245754","24.533","0.0002","5.04577","0.00004","30.1674","0.0003","90","","109.516","0.001","90","","3519.82","0.06","100","0.1","100.15","","","","","","","","","4","I 1 2 1","I 2y","5","","diethyl 2-acetamido-2-(cyclopropylmethyl)malonate","","- C21 H21 N O4 -","- C21 H21 N O4 -","- C168 H168 N8 O32 -","8","2","","Bojarska, Joanna; Wolf, Wojciech M.; Fruziński, Andrzej; Kaczmarek, Krzysztof; Lesnikowski, Zbigniew J.; Kraj, Agata; Zielenkiewicz, Piotr; Madura, Izabela Dorota; Borowiecki, Paweł; Remko, Milan; Breza, Martin","Supramolecular synthon hierarchy in cyclopropyl-containing peptide-derived compounds","CrystEngComm","2022","","","","","10.1039/D2CE01231F","","","1.54184","CuKα","","0.0267","0.0254","","","0.0648","0.0655","","","","","","1.037","","","","has coordinates","278944","2022-11-04","23:34:26",""
"7245755","13.7292","0.0001","10.9084","0.0001","14.8292","0.0001","90","","90","","90","","2220.87","0.03","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","[Ac-b-cyclopropyl-(R,S)-Ala-OH], 2-(cyclopropylmethyl)-2-acetamidopropanedioic acid hydrate","","- C9 H15 N O6 -","- C9 H15 N O6 -","- C72 H120 N8 O48 -","8","1","","Bojarska, Joanna; Wolf, Wojciech M.; Fruziński, Andrzej; Kaczmarek, Krzysztof; Lesnikowski, Zbigniew J.; Kraj, Agata; Zielenkiewicz, Piotr; Madura, Izabela Dorota; Borowiecki, Paweł; Remko, Milan; Breza, Martin","Supramolecular synthon hierarchy in cyclopropyl-containing peptide-derived compounds","CrystEngComm","2022","","","","","10.1039/D2CE01231F","","","1.54184","CuKα","","0.0306","0.0294","","","0.0781","0.0789","","","","","","1.055","","","","has coordinates","278944","2022-11-04","23:34:27",""
"7245756","14.6622","0.0001","11.4293","0.0001","21.6168","0.0001","90","","90.601","0.001","90","","3622.32","0.04","100","0.5","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-acetamido-3-cyclopropylpropanoic acid","","- C8 H13 N O3 -","- C8 H13 N O3 -","- C128 H208 N16 O48 -","16","4","","Bojarska, Joanna; Wolf, Wojciech M.; Fruziński, Andrzej; Kaczmarek, Krzysztof; Lesnikowski, Zbigniew J.; Kraj, Agata; Zielenkiewicz, Piotr; Madura, Izabela Dorota; Borowiecki, Paweł; Remko, Milan; Breza, Martin","Supramolecular synthon hierarchy in cyclopropyl-containing peptide-derived compounds","CrystEngComm","2022","","","","","10.1039/D2CE01231F","","","1.54184","CuKα","","0.0367","0.0353","","","0.0921","0.0931","","","","","","1.048","","","","has coordinates","278944","2022-11-04","23:34:27",""
"7245757","11.5142","0.0012","7.0317","0.0006","17.2789","0.0016","90","","92.127","0.008","90","","1398","0.2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- B7 Cs Ga H4 K Na O15.5 -","- B7 Cs Ga H4 K Na O15.5 -","- B28 Cs4 Ga4 H16 K4 Na4 O62 -","4","1","","Dong, Ya-Zhuo; Chen, Chong-An; Chen, Juan; Cheng, Jian-Wen; Li, Jinhua; Yang, Guo-Yu","Two porous-layered borates built by B7O13(OH) clusters and AlO4/GaO4 tetrahedra","CrystEngComm","2022","","","","","10.1039/D2CE01336C","","","0.71073","MoKα","","0.0536","0.0474","","","0.1336","0.1382","","","","","","1.076","","","","has coordinates,has disorder","278945","2022-11-04","23:35:21",""
"7245758","7.0328","0.0005","10.1025","0.0008","10.5133","0.0009","102.48","0.007","102.285","0.006","99.917","0.006","693.72","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- Al B7 H3 K2.5 Na0.5 O15 -","- Al B7 H3 K2.5 Na0.5 O15 -","- Al2 B14 H6 K5 Na O30 -","2","1","","Dong, Ya-Zhuo; Chen, Chong-An; Chen, Juan; Cheng, Jian-Wen; Li, Jinhua; Yang, Guo-Yu","Two porous-layered borates built by B7O13(OH) clusters and AlO4/GaO4 tetrahedra","CrystEngComm","2022","","","","","10.1039/D2CE01336C","","","0.71073","MoKα","","0.0516","0.0461","","","0.1387","0.1425","","","","","","1.099","","","","has coordinates","278945","2022-11-04","23:35:21",""
"7245759","10.643","0.0009","20.641","0.0017","21.2421","0.0019","78.757","0.004","82.776","0.006","79.647","0.006","4482.5","0.7","113","","113","","","","","","","","","7","P -1","-P 1","2","","","","- C73 H51 Cl3 F36 Gd2 N10 O16 -","- C73 H51 Cl3 F36 Gd2 N10 O16 -","- C146 H102 Cl6 F72 Gd4 N20 O32 -","2","1","","Sun, Juan; Chen, Min; Li, Ying; Liu, Xingran; Fu, Xinyang; He, Lijun; Jin, Chuan-Ming","Heterospin 2p-4f and 2p-3d-4f complexes constructed by a nitronyl nitroxide ligand: syntheses, structures and magnetic properties","CrystEngComm","2022","","","","","10.1039/D2CE01344D","","","0.71073","MoKα","","0.0972","0.0799","","","0.2352","0.2455","","","","","","1.066","","","","has coordinates","278954","2022-11-05","23:32:41",""
"7245760","10.656","0.002","20.604","0.004","21.217","0.004","78.76","0.03","82.87","0.03","79.65","0.03","4475.4","1.6","113.15","","113.15","","","","","","","","","7","P -1","-P 1","2","","","","- C73 H51 Cl3 F36 N10 O16 Tb2 -","- C73 H51 Cl3 F36 N10 O16 Tb2 -","- C146 H102 Cl6 F72 N20 O32 Tb4 -","2","1","","Sun, Juan; Chen, Min; Li, Ying; Liu, Xingran; Fu, Xinyang; He, Lijun; Jin, Chuan-Ming","Heterospin 2p-4f and 2p-3d-4f complexes constructed by a nitronyl nitroxide ligand: syntheses, structures and magnetic properties","CrystEngComm","2022","","","","","10.1039/D2CE01344D","","","0.71073","MoKα","","0.0852","0.0599","","","0.1508","0.1785","","","","","","1.024","","","","has coordinates","278954","2022-11-05","23:32:47",""
"7245761","17.054","0.002","20.134","0.002","17.469","0.002","90","","104.342","0.002","90","","5811.3","1.1","113","","113","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H27 Cu F30 N5 O12 Tb -","- C46 H27 Cu F30 N5 O12 Tb -","- C184 H108 Cu4 F120 N20 O48 Tb4 -","4","1","","Sun, Juan; Chen, Min; Li, Ying; Liu, Xingran; Fu, Xinyang; He, Lijun; Jin, Chuan-Ming","Heterospin 2p-4f and 2p-3d-4f complexes constructed by a nitronyl nitroxide ligand: syntheses, structures and magnetic properties","CrystEngComm","2022","","","","","10.1039/D2CE01344D","","","0.71073","MoKα","","0.1208","0.0625","","","0.1131","0.1383","","","","","","1.076","","","","has coordinates","278954","2022-11-05","23:32:47",""
"7245765","15.7981","0.0013","16.2656","0.0014","22.388","0.002","90","","90","","90","","5752.9","0.9","296","2","296.15","","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C28 H29.5 Cd N3.5 O11 -","- C28 H29.5 Cd N3.5 O11 -","- C224 H236 Cd8 N28 O88 -","8","0.5","","Sun, Mingyang; Bai, Fengying; Guan, QingLin; Xing, Yongheng; Xu, Fen","Construction of naphthalenediimide-based cadmium complexes and application in iodine adsorption, photochromism and photocatalysis","CrystEngComm","2022","","","","","10.1039/D2CE01192A","","","0.71073","MoKα","","0.1462","0.0867","","","0.2523","0.2929","","","","","","1.066","","","","has coordinates","279041","2022-11-07","23:34:27",""
"7245766","15.6608","0.0014","16.669","0.0015","22.238","0.002","90","","90","","90","","5805.2","0.9","296.15","","296.15","","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C26 H22 Cd N3.5 O11 -","- C26 H22 Cd N3.5 O11 -","- C208 H176 Cd8 N28 O88 -","8","0.5","","Sun, Mingyang; Bai, Fengying; Guan, QingLin; Xing, Yongheng; Xu, Fen","Construction of naphthalenediimide-based cadmium complexes and application in iodine adsorption, photochromism and photocatalysis","CrystEngComm","2022","","","","","10.1039/D2CE01192A","","","0.71073","MoKα","","0.0922","0.0678","","","0.2119","0.2448","","","","","","1.066","","","","has coordinates,has disorder","279041","2022-11-07","23:34:27",""
"7245767","9.4569","0.0011","9.3238","0.0011","13.6224","0.0016","90","","106.127","0.008","90","","1153.9","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 N6 O3 -","- C12 H8 N6 O3 -","- C48 H32 N24 O12 -","4","1","","Zhong, Yun-Jing; Zhu, Yu-Ying; Mo, Jin-Lin; Ye, Sheng-Lan; Luo, Wen-Dan; Huang, Xin; Chen, Wen-Bin; Dong, Wen","Syntheses, structures and magnetic properties of mononuclear, dinuclear and tetranuclear dysprosium(III) complexes based on azotetrazole-3-hydroxy-2-naphthoic acid","CrystEngComm","2022","","","","","10.1039/D2CE01303G","","","0.71073","MoKα","","0.0814","0.0394","","","0.0791","0.0954","","","","","","1.021","","","","has coordinates","279042","2022-11-07","23:35:52",""
"7245768","13.5498","0.0002","14.6671","0.0002","17.4729","0.0003","75.573","0.001","81.545","0.001","73.268","0.002","3209.98","0.09","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C54 H76 Dy N21 O14 -","- C54 H70 Dy N21 O11 -","- C108 H140 Dy2 N42 O22 -","2","1","","Zhong, Yun-Jing; Zhu, Yu-Ying; Mo, Jin-Lin; Ye, Sheng-Lan; Luo, Wen-Dan; Huang, Xin; Chen, Wen-Bin; Dong, Wen","Syntheses, structures and magnetic properties of mononuclear, dinuclear and tetranuclear dysprosium(III) complexes based on azotetrazole-3-hydroxy-2-naphthoic acid","CrystEngComm","2022","","","","","10.1039/D2CE01303G","","x-ray","1.54184","CuKα","","0.0514","0.0476","","","0.1184","0.1201","","","","","","1.067","","","","has coordinates","279042","2022-11-07","23:35:53",""
"7245769","22.56781","0.00018","12.14163","0.0001","23.5494","0.0002","90","","101.893","0.0009","90","","6314.26","0.09","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H47 Dy2 N21 O16 -","- C39 H25 Dy2 N19 O11 -","- C156 H100 Dy8 N76 O44 -","4","1","","Zhong, Yun-Jing; Zhu, Yu-Ying; Mo, Jin-Lin; Ye, Sheng-Lan; Luo, Wen-Dan; Huang, Xin; Chen, Wen-Bin; Dong, Wen","Syntheses, structures and magnetic properties of mononuclear, dinuclear and tetranuclear dysprosium(III) complexes based on azotetrazole-3-hydroxy-2-naphthoic acid","CrystEngComm","2022","","","","","10.1039/D2CE01303G","","x-ray","1.54184","CuKα","","0.0552","0.0502","","","0.1259","0.1286","","","","","","1.046","","","","has coordinates","279042","2022-11-07","23:35:53",""
"7245770","14.5277","0.0002","19.59","0.0003","24.9631","0.0004","85.482","0.001","76.15","0.001","75.698","0.001","6682.64","0.18","99.99","0.1","99.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C115 H165 Dy4 N45 O29 -","- C115 H163 Dy4 N45 O28 -","- C230 H326 Dy8 N90 O56 -","2","1","","Zhong, Yun-Jing; Zhu, Yu-Ying; Mo, Jin-Lin; Ye, Sheng-Lan; Luo, Wen-Dan; Huang, Xin; Chen, Wen-Bin; Dong, Wen","Syntheses, structures and magnetic properties of mononuclear, dinuclear and tetranuclear dysprosium(III) complexes based on azotetrazole-3-hydroxy-2-naphthoic acid","CrystEngComm","2022","","","","","10.1039/D2CE01303G","","x-ray","1.54184","CuKα","","0.0877","0.0707","","","0.1549","0.1635","","","","","","1.042","","","","has coordinates,has disorder","279042","2022-11-07","23:35:53",""
"7245771","6.4345","0.0005","9.3017","0.0007","11.9277","0.0009","76.64","0.002","84.469","0.003","81.237","0.002","685.08","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H13 N13 O3 -","- C7 H13 N13 O3 -","- C14 H26 N26 O6 -","2","1","","Qin, Yaqi; Yang, Feng; Xu, Yuangang; Wang, Pengcheng; Lin, Qiuhan; Lu, Ming","Insensitive nitrogen-rich compounds with a planar 2D configuration based on an imidazole–tetrazole","CrystEngComm","2022","","","","","10.1039/D2CE01405J","","","0.71073","MoKα","","0.0546","0.0387","","","0.0953","0.1036","","","","","","1.041","","","","has coordinates","279043","2022-11-07","23:37:42",""
"7245772","7.3452","0.0003","7.7532","0.0004","13.116","0.0006","81.172","0.002","87.255","0.002","80.148","0.002","727.03","0.06","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C7 H12 N12 O4 S -","- C7 H12 N12 O4 S -","- C14 H24 N24 O8 S2 -","2","1","","Qin, Yaqi; Yang, Feng; Xu, Yuangang; Wang, Pengcheng; Lin, Qiuhan; Lu, Ming","Insensitive nitrogen-rich compounds with a planar 2D configuration based on an imidazole–tetrazole","CrystEngComm","2022","","","","","10.1039/D2CE01405J","","","0.71073","MoKα","","0.0487","0.0361","","","0.0819","0.091","","","","","","1.048","","","","has coordinates","279043","2022-11-07","23:37:42",""
"7245773","26.47","0.003","7.695","0.0007","5.4985","0.0005","90","","90","","90","","1119.97","0.19","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- Ca2 Nb2 O7 -","- Ca2 Nb2 O7 -","- Ca16 Nb16 O56 -","8","2","","Xie, Linfang; Hou, Shuai; Yu, Fapeng; Zhao, Xian","Single crystal growth and piezoelectric features of the Ca2Nb2O7 crystal with orthorhombic symmetry","CrystEngComm","2022","","","","","10.1039/D2CE01286C","","","0.71069","MoKα","","0.0268","0.0208","","","0.0489","0.0525","","","","","","1.023","","","","has coordinates","279122","2022-11-08","23:37:05",""
"7245774","10.775","0.002","6.069","0.0012","24.422","0.005","90","","91.36","0.03","90","","1596.6","0.5","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-((E)-((E)-(2-hydroxybenzylidene)hydrazono)(phenyl)methyl)phenol","2-((E)-((E)-(2-hydroxybenzylidene)hydrazono)(phenyl)methyl)phenol","","- C20 H16 N2 O2 -","- C20 H16 N2 O2 -","- C80 H64 N8 O8 -","4","1","","Gayathri, Parthasarathy; Ravi, Sasikala; Akshaya, K.; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","ESIPT geometrical isomers with distinct mechanofluorochromism and intra/intermolecular H-bonding controlled tunable fluorescence","CrystEngComm","2022","","","","","10.1039/D2CE01210C","","","0.63","synchrotron","","0.0589","0.0554","","","0.1562","0.161","","","","","","1.058","","","","has coordinates","279162","2022-11-09","23:38:28",""
"7245775","9.975","0.002","22.42","0.005","7.849","0.0016","90","","91.42","0.03","90","","1754.8","0.6","220","2","220","2","","","","","","","","4","C 1 c 1","C -2yc","9","2-((E)-(((E)-(2-hydroxyphenyl)(phenyl)methylene)hydrazono) methyl)-4-methoxyphenol","2-((E)-(((E)-(2-hydroxyphenyl)(phenyl)methylene)hydrazono) methyl)-4-methoxyphenol","","- C21 H18 N2 O3 -","- C21 H18 N2 O3 -","- C84 H72 N8 O12 -","4","1","","Gayathri, Parthasarathy; Ravi, Sasikala; Akshaya, K.; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","ESIPT geometrical isomers with distinct mechanofluorochromism and intra/intermolecular H-bonding controlled tunable fluorescence","CrystEngComm","2022","","","","","10.1039/D2CE01210C","","","0.7","synchrotron","","0.0643","0.0499","","","0.1265","0.1348","","","","","","1.065","","","","has coordinates,has disorder","279162","2022-11-09","23:38:29",""
"7245776","8.142","0.0016","10.456","0.002","11.064","0.002","77.3","0.03","86.19","0.03","71.59","0.03","871.8","0.3","220","2","220","2","","","","","","","","4","P -1","-P 1","2","2-((E)-((E)-((2-hydroxyphenyl)(phenyl)methylene)hydrazono) methyl)-5-methoxyphenol","2-((E)-((E)-((2-hydroxyphenyl)(phenyl)methylene)hydrazono) methyl)-5-methoxyphenol","","- C21 H18 N2 O3 -","- C21 H18 N2 O3 -","- C42 H36 N4 O6 -","2","1","","Gayathri, Parthasarathy; Ravi, Sasikala; Akshaya, K.; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","ESIPT geometrical isomers with distinct mechanofluorochromism and intra/intermolecular H-bonding controlled tunable fluorescence","CrystEngComm","2022","","","","","10.1039/D2CE01210C","","","0.7","synchrotron","","0.0632","0.0486","","","0.1405","0.1472","","","","","","1.087","","","","has coordinates","279162","2022-11-09","23:38:29",""
"7245777","14.801","0.003","13.758","0.003","9.129","0.0018","90","","107.9","0.03","90","","1769","0.7","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-((E)-((E)-((2-hydroxyphenyl)(phenyl)methylene)hydrazono) methyl)-5-methoxyphenol","2-((E)-((E)-((2-hydroxyphenyl)(phenyl)methylene)hydrazono) methyl)-5-methoxyphenol","","- C21 H18 N2 O3 -","- C21 H18 N2 O3 -","- C84 H72 N8 O12 -","4","1","","Gayathri, Parthasarathy; Ravi, Sasikala; Akshaya, K.; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","ESIPT geometrical isomers with distinct mechanofluorochromism and intra/intermolecular H-bonding controlled tunable fluorescence","CrystEngComm","2022","","","","","10.1039/D2CE01210C","","","0.65","synchrotron","","0.0816","0.0596","","","0.1877","0.1997","","","","","","1.109","","","","has coordinates","279162","2022-11-09","23:38:29",""
"7245778","20.599","0.004","7.298","0.0015","24.505","0.005","90","","104.72","0.03","90","","3563","1.3","220","2","220","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","2-((E)-(((E)-(2-hydroxyphenyl)(phenyl)methylene)hydrazono) methyl)-4-methoxyphenol","2-((E)-(((E)-(2-hydroxyphenyl)(phenyl)methylene)hydrazono) methyl)-4-methoxyphenol","","- C21 H18 N2 O3 -","- C21 H18 N2 O3 -","- C168 H144 N16 O24 -","8","1","","Gayathri, Parthasarathy; Ravi, Sasikala; Akshaya, K.; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","ESIPT geometrical isomers with distinct mechanofluorochromism and intra/intermolecular H-bonding controlled tunable fluorescence","CrystEngComm","2022","","","","","10.1039/D2CE01210C","","","0.63","synchrotron","","0.0584","0.0534","","","0.1591","0.1633","","","","","","1.051","","","","has coordinates,has disorder","279162","2022-11-09","23:38:29",""
"7245779","12.462","0.003","8.131","0.0016","21.551","0.004","90","","104.18","0.03","90","","2117.2","0.8","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5-(diethylamino)-2-((E)-((E)-((2-hydroxyphenyl)(phenyl)methylene) hydrazono)methyl)phenol","5-(diethylamino)-2-((E)-((E)-((2-hydroxyphenyl)(phenyl)methylene) hydrazono)methyl)phenol","","- C24 H25 N3 O2 -","- C24 H25 N3 O2 -","- C96 H100 N12 O8 -","4","1","","Gayathri, Parthasarathy; Ravi, Sasikala; Akshaya, K.; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","ESIPT geometrical isomers with distinct mechanofluorochromism and intra/intermolecular H-bonding controlled tunable fluorescence","CrystEngComm","2022","","","","","10.1039/D2CE01210C","","","0.63","synchrotron","","0.0824","0.0733","","","0.246","0.2547","","","","","","1.116","","","","has coordinates,has disorder","279162","2022-11-09","23:38:29",""
"7245780","13.9435","0.0008","20.0147","0.0012","17.2063","0.0011","90","","93.972","0.002","90","","4790.3","0.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C60 Cu6 Mn0 Mo18 N12 O67 Si -","- C60 Cu6 Mo18 N12 O67 Si -","- C120 Cu12 Mo36 N24 O134 Si2 -","2","0.5","","Wang, Peisen; Chishti, Aadil Nabi; Chen, Peng; Lv, Zengxiang; Tan, Yaya; Zhang, Hanzhi; Zha, Junjie; Ma, Zhiyuan; Ni, Lubin; Zhang, Lu-nan; Wei, Yongge","A Keggin-type polyoxomolybdate-based crystalline material formed by hydrothermal transformation: photo/electro-catalytic properties and mechanism study","CrystEngComm","2022","","","","","10.1039/D2CE01301K","","","0.71073","MoKα","","0.0766","0.0674","","","0.1617","0.1665","","","","","","1.156","","","","has coordinates,has disorder","279163","2022-11-09","23:39:10",""
"7245781","16.8316","0.0004","14.7115","0.0004","20.1791","0.0006","90","","93.4","0.001","90","","4987.9","0.2","193","","193","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Fe H30 N15 O15 -","- Fe H30 N15 O15 -","- Fe8 H240 N120 O120 -","8","2","","Chen, Lei; Yang, Chen; Hu, Haoran; Shi, Lei; Zhang, Chong; Sun, Chengguo; Gao, Chao; Du, Yang; Hu, Bingcheng","Synthesis and characterization of cyclo-pentazolate salts of iron(iii) and aluminum(iii)","CrystEngComm","2022","","","","","10.1039/D2CE01270G","","","0.71073","MoKα","","0.07","0.042","","","0.1167","0.1375","","","","","","1.019","","","","has coordinates","279164","2022-11-09","23:39:52",""
"7245782","16.7321","0.0008","14.5671","0.0006","20.0005","0.0007","90","","92.771","0.002","90","","4869.2","0.4","150","2","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Al H30 N15 O15 -","- Al H30 N15 O15 -","- Al8 H240 N120 O120 -","8","2","","Chen, Lei; Yang, Chen; Hu, Haoran; Shi, Lei; Zhang, Chong; Sun, Chengguo; Gao, Chao; Du, Yang; Hu, Bingcheng","Synthesis and characterization of cyclo-pentazolate salts of iron(iii) and aluminum(iii)","CrystEngComm","2022","","","","","10.1039/D2CE01270G","","","0.71073","MoKα","","0.0904","0.0599","","","0.1426","0.1611","","","","","","1.08","","","","has coordinates","279164","2022-11-09","23:39:52",""
"7245783","7.67","0.0008","9.0452","0.001","11.0423","0.001","108.104","0.009","96.967","0.009","110.004","0.01","661.63","0.14","121","0.4","121","0.4","","","","","","","","5","P -1","-P 1","2","","","","- C20 H30 Cl4 Mn N12 -","- C20 H30 Cl4 Mn N12 -","- C20 H30 Cl4 Mn N12 -","1","0.5","","Jabeur, Wiem; Msalmi, Rawia; Korb, Marcus; Hassen, Fredj; Guesmi, Ahlem; Houas, Ammar; Ben Hamadi , Naoufel; Naïli, Houcine","Excitation dependent white and red-NIR emission of MnII-based complex","CrystEngComm","2022","","","","","10.1039/D2CE01138G","","","0.71073","MoKα","","0.0453","0.04","","","0.0996","0.1049","","","","","","1.066","","","","has coordinates","279165","2022-11-09","23:40:14",""
"7245784","10.7786","0.0006","12.6891","0.0007","14.2722","0.0008","77.497","0.001","86.221","0.001","67.301","0.001","1757.78","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C3.88 H2.88 Ag0.62 N0.12 O1.62 P0.5 -","- C3.875 H3 Ag0.625 N0.125 O1.625 P0.5 -","- C62 H48 Ag10 N2 O26 P8 -","16","8","","Gao, Chao-Ying; Mao, Chen; Yang, Yang; Xu, Ning; Liu, Jinglin; Chen, Xiaohong; Liu, Jinghai; Duan, Limei","Epoxide activation by a silver phosphonate for heterogeneous catalysis of CO2 cycloaddition","CrystEngComm","2023","25","1","108","113","10.1039/D2CE01240E","","","0.71073","MoKα","","0.0307","0.0268","","","0.0702","0.0748","","","","","","0.955","","","","has coordinates","281403","2023-03-04","18:07:22",""
"7245785","7.5403","0.0012","8.1374","0.0015","9.21","0.0011","92.107","0.012","94.692","0.012","112.19","0.016","520.1","0.15","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C6 H13 N3 O5 S -","- C6 H13 N3 O5 S -","- C12 H26 N6 O10 S2 -","2","1","","Qin, Shu-Qin; Xu, Wei; Ye, Wen-Cai; Jiang, Ren-Wang","Structure determination of liquid molecules by encapsulation in an aromatic cavity with hydrogen bonding and enhanced C–H⋯π interactions","CrystEngComm","2022","","","","","10.1039/D2CE01033J","","x-ray","1.54184","CuKα","","0.0897","0.0789","","","0.2557","0.2675","","","","","","1.189","","","","has coordinates","279218","2022-11-10","23:42:41",""
"7245786","7.6827","0.0002","16.9136","0.0006","21.7131","0.0006","90","","90","","90","","2821.45","0.15","150","0.1","150","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H38 N6 O8 S2 -","- C22 H38 N6 O8 S2 -","- C88 H152 N24 O32 S8 -","4","1","","Qin, Shu-Qin; Xu, Wei; Ye, Wen-Cai; Jiang, Ren-Wang","Structure determination of liquid molecules by encapsulation in an aromatic cavity with hydrogen bonding and enhanced C–H⋯π interactions","CrystEngComm","2022","","","","","10.1039/D2CE01033J","","x-ray","1.54184","CuKα","","0.0448","0.0406","","","0.0995","0.1022","","","","","","1.056","","","","has coordinates","279218","2022-11-10","23:42:42",""
"7245787","8.32784","0.00012","14.8045","0.0002","21.3026","0.0003","90","","90","","90","","2626.39","0.06","150","0.1","150","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H32 N6 O7 S2 -","- C22 H32 N6 O7 S2 -","- C88 H128 N24 O28 S8 -","4","1","","Qin, Shu-Qin; Xu, Wei; Ye, Wen-Cai; Jiang, Ren-Wang","Structure determination of liquid molecules by encapsulation in an aromatic cavity with hydrogen bonding and enhanced C–H⋯π interactions","CrystEngComm","2022","","","","","10.1039/D2CE01033J","","x-ray","1.54184","CuKα","","0.0432","0.0424","","","0.113","0.114","","","","","","1.034","","","","has coordinates","279218","2022-11-10","23:42:42",""
"7245788","14.2509","0.0003","12.4242","0.0003","18.4753","0.0005","90","","90","","90","","3271.16","0.14","150","0.1","150","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H17 N3 O6 S -","- C14 H17 N3 O6 S -","- C112 H136 N24 O48 S8 -","8","1","","Qin, Shu-Qin; Xu, Wei; Ye, Wen-Cai; Jiang, Ren-Wang","Structure determination of liquid molecules by encapsulation in an aromatic cavity with hydrogen bonding and enhanced C–H⋯π interactions","CrystEngComm","2022","","","","","10.1039/D2CE01033J","","x-ray","1.54184","CuKα","","0.0663","0.0574","","","0.1448","0.1535","","","","","","1.056","","","","has coordinates","279218","2022-11-10","23:42:42",""
"7245789","8.0559","0.0003","21.6299","0.0006","7.2362","0.0002","90","","90","","90","","1260.9","0.07","150","0.1","150","0.1","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C44 H58 N12 O16 S4 -","- C44 H58 N12 O16 S4 -","- C44 H58 N12 O16 S4 -","1","0.25","","Qin, Shu-Qin; Xu, Wei; Ye, Wen-Cai; Jiang, Ren-Wang","Structure determination of liquid molecules by encapsulation in an aromatic cavity with hydrogen bonding and enhanced C–H⋯π interactions","CrystEngComm","2022","","","","","10.1039/D2CE01033J","","x-ray","1.54178","CuKα","","0.0779","0.0718","","","0.2083","0.2208","","","","","","1.137","","","","has coordinates,has disorder","279218","2022-11-10","23:42:42",""
"7245790","13.0691","0.0009","12.2502","0.0009","19.5115","0.0018","90","","90","","90","","3123.8","0.4","150","1","150","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H37 N7 O6 S2 -","- C24 H37 N7 O6 S2 -","- C96 H148 N28 O24 S8 -","4","0.5","","Qin, Shu-Qin; Xu, Wei; Ye, Wen-Cai; Jiang, Ren-Wang","Structure determination of liquid molecules by encapsulation in an aromatic cavity with hydrogen bonding and enhanced C–H⋯π interactions","CrystEngComm","2022","","","","","10.1039/D2CE01033J","","x-ray","0.71073","MoKα","","0.0853","0.0577","","","0.1445","0.1674","","","","","","1.056","","","","has coordinates,has disorder","279218","2022-11-10","23:42:42",""
"7245791","13.0361","0.0003","12.2207","0.0002","19.6245","0.0004","90","","90","","90","","3126.38","0.11","150","0.1","150","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H33 N6 O8 S2 -","- C24 H33 N6 O8 S2 -","- C96 H132 N24 O32 S8 -","4","0.5","","Qin, Shu-Qin; Xu, Wei; Ye, Wen-Cai; Jiang, Ren-Wang","Structure determination of liquid molecules by encapsulation in an aromatic cavity with hydrogen bonding and enhanced C–H⋯π interactions","CrystEngComm","2022","","","","","10.1039/D2CE01033J","","x-ray","1.54184","CuKα","","0.0869","0.0793","","","0.2495","0.2628","","","","","","1.108","","","","has coordinates,has disorder","279218","2022-11-10","23:42:42",""
"7245792","13.9018","0.0007","12.5517","0.0006","18.8575","0.0008","90","","90","","90","","3290.5","0.3","150","0.1","150","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H20 N4 O3 S -","- C14 H20 N4 O3 S -","- C112 H160 N32 O24 S8 -","8","1","","Qin, Shu-Qin; Xu, Wei; Ye, Wen-Cai; Jiang, Ren-Wang","Structure determination of liquid molecules by encapsulation in an aromatic cavity with hydrogen bonding and enhanced C–H⋯π interactions","CrystEngComm","2022","","","","","10.1039/D2CE01033J","","x-ray","0.71073","MoKα","","0.0371","0.0324","","","0.0823","0.0851","","","","","","1.058","","","","has coordinates","279218","2022-11-10","23:42:42",""
"7245793","9.5807","0.0002","15.5281","0.0003","21.0679","0.0004","90","","90","","90","","3134.27","0.11","150","0.1","150","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H40 N6 O8 S2 -","- C24 H40 N6 O8 S2 -","- C96 H160 N24 O32 S8 -","4","1","","Qin, Shu-Qin; Xu, Wei; Ye, Wen-Cai; Jiang, Ren-Wang","Structure determination of liquid molecules by encapsulation in an aromatic cavity with hydrogen bonding and enhanced C–H⋯π interactions","CrystEngComm","2022","","","","","10.1039/D2CE01033J","","x-ray","1.54184","CuKα","","0.042","0.0364","","","0.0905","0.0944","","","","","","1.033","","","","has coordinates","279218","2022-11-10","23:42:42",""
"7245807","12.878","0.003","20.372","0.005","12.609","0.005","90","","106.828","0.006","90","","3166.3","1.7","296","2","296","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C44 H76 N26 O34 P2 -","- C44 H75 N26 O34 P2 -","- C88 H150 N52 O68 P4 -","2","0.25","","Yuan, Shang-Wei; Shan, Pei-Hui; Yang, Mao Xia; Ma, PeiHua; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Tao, Zhu; Xiao, Xin","Host-guest inclusion complexes formed between a symmetrical tetrasubstituted cucurbit[6]uril and glycine","CrystEngComm","2022","","","","","10.1039/D2CE01308H","","","0.71073","MoKα","","0.0556","0.0394","","","0.1031","0.1126","","","","","","1.042","","","","has coordinates,has disorder","279238","2022-11-11","23:46:12",""
"7245808","13.001","0.004","14.691","0.004","21.03","0.006","72.765","0.007","76.725","0.007","68.8","0.007","3542.7","1.8","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H92 Ca Cl3 N25 O35 -","- C42 H60 Ca Cl3 N25 O19 -","- C84 H120 Ca2 Cl6 N50 O38 -","2","1","","Yuan, Shang-Wei; Shan, Pei-Hui; Yang, Mao Xia; Ma, PeiHua; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Tao, Zhu; Xiao, Xin","Host-guest inclusion complexes formed between a symmetrical tetrasubstituted cucurbit[6]uril and glycine","CrystEngComm","2022","","","","","10.1039/D2CE01308H","","","0.71073","MoKα","","0.0983","0.0698","","","0.1809","0.1972","","","","","","1.04","","","","has coordinates","279238","2022-11-11","23:46:12",""
"7245809","24.6321","0.0002","12.5688","0.0001","18.427","0.0001","90","","104.232","0.001","90","","5529.83","0.07","300.69","0.1","300.69","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H23 N4 O15 Tb Zn -","- C25 H23 N4 O15 Tb Zn -","- C200 H184 N32 O120 Tb8 Zn8 -","8","1","","Wu, Nan; Li, Zhang; Jia, Yuejiao; Li, Dechao; Hu, Ming","Heterometallic organic framework: A highly selective functional probe for carmine and TNP molecules","CrystEngComm","2022","","","","","10.1039/D2CE01417C","","x-ray","1.54184","CuKα","","0.0238","0.0222","","","0.0593","0.0604","","","","","","1.04","","","","has coordinates","279270","2022-11-14","23:44:52",""
"7245810","4.0263","0.0003","4.0263","0.0003","15.066","0.002","90","","90","","120","","211.51","0.04","293","2","293","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- La Ni2 Si -","- La Ni2 Si -","- La3 Ni6 Si3 -","3","0.0833333","","Pani, Marcella; Provino, Alessia; Smetana, Volodymyr; Shtender, Vitalii; Bernini, Cristina; Mudring, Anja-Verena; Manfrinetti, Pietro","Four ternary silicides in the La–Ni–Si system: from polyanionic layers to frameworks","CrystEngComm","2022","","","","","10.1039/D2CE01007K","","","0.7107","MoKα","","0.014","0.0113","","","0.0334","0.0335","","","","","","1.238","","","","has coordinates","279271","2022-11-14","23:45:40",""
"7245811","6.8789","0.0007","6.2167","0.0003","12.214","0.001","90","","90.92","0.01","90","","522.25","0.07","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- La2 Ni3 Si2 -","- La2 Ni3 Si2 -","- La8 Ni12 Si8 -","4","1","","Pani, Marcella; Provino, Alessia; Smetana, Volodymyr; Shtender, Vitalii; Bernini, Cristina; Mudring, Anja-Verena; Manfrinetti, Pietro","Four ternary silicides in the La–Ni–Si system: from polyanionic layers to frameworks","CrystEngComm","2022","","","","","10.1039/D2CE01007K","","","0.7107","MoKα","","0.0572","0.0318","","","0.0597","0.0637","","","","","","0.92","","","","has coordinates","279271","2022-11-14","23:45:40",""
"7245812","7.501","0.002","14.316","0.004","6.1485","0.0016","90","","90","","90","","660.3","0.3","296","2","296","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- La3 Ni3 Si2 -","- La3 Ni3 Si2 -","- La12 Ni12 Si8 -","4","0.5","","Pani, Marcella; Provino, Alessia; Smetana, Volodymyr; Shtender, Vitalii; Bernini, Cristina; Mudring, Anja-Verena; Manfrinetti, Pietro","Four ternary silicides in the La–Ni–Si system: from polyanionic layers to frameworks","CrystEngComm","2022","","","","","10.1039/D2CE01007K","","","0.71073","MoKα","","0.0216","0.0214","","","0.0546","0.0547","","","","","","1.249","","","","has coordinates","279271","2022-11-14","23:45:40",""
"7245813","6.0659","0.001","7.4882","0.0012","29.682","0.005","90","","90","","90","","1348.2","0.4","293","2","293","2","","","","","","","","3","P b c m","-P 2c 2b","57","","","","- La6 Ni7 Si4 -","- La6 Ni7 Si4 -","- La24 Ni28 Si16 -","4","0.5","","Pani, Marcella; Provino, Alessia; Smetana, Volodymyr; Shtender, Vitalii; Bernini, Cristina; Mudring, Anja-Verena; Manfrinetti, Pietro","Four ternary silicides in the La–Ni–Si system: from polyanionic layers to frameworks","CrystEngComm","2022","","","","","10.1039/D2CE01007K","","","0.71073","MoKα","","0.0468","0.0287","","","0.049","0.0532","","","","","","0.923","","","","has coordinates","279271","2022-11-14","23:45:40",""
"7245814","9.8826","0.0009","11.1554","0.001","13.9347","0.0012","109.747","0.003","95.52","0.002","96.847","0.002","1420.2","0.2","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H34 N3 O11 Pr -","- C24 H34 N3 O11 Pr -","- C48 H68 N6 O22 Pr2 -","2","1","","Hunter, L. R.; Sellars, J. D.; Probert, M. R.","A reversible pressure-induced bond rearrangement of flexible lanthanide 2,5-bis(allyloxy)terephthalate coordination polymer networks","CrystEngComm","2022","","","","","10.1039/D2CE00499B","","","1.54178","CuKα","","0.0307","0.0306","","","0.0818","0.0819","","","","","","1.044","","","","has coordinates,has disorder","279272","2022-11-14","23:49:42",""
"7245815","10.3817","0.0007","10.4095","0.0007","13.8631","0.001","81.397","0.004","70.936","0.004","89.265","0.004","1399.02","0.17","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H34 Eu N3 O11 -","- C24 H34 Eu N3 O11 -","- C48 H68 Eu2 N6 O22 -","2","1","","Hunter, L. R.; Sellars, J. D.; Probert, M. R.","A reversible pressure-induced bond rearrangement of flexible lanthanide 2,5-bis(allyloxy)terephthalate coordination polymer networks","CrystEngComm","2022","","","","","10.1039/D2CE00499B","","","1.54178","CuKα","","0.0516","0.0467","","","0.1251","0.1289","","","","","","1.09","","","","has coordinates","279272","2022-11-14","23:49:43",""
"7245816","9.9056","0.001","11.1381","0.0011","13.9162","0.0014","109.803","0.003","95.425","0.003","96.535","0.004","1420.6","0.2","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H34 N3 Nd O11 -","- C24 H34 N3 Nd O11 -","- C48 H68 N6 Nd2 O22 -","2","1","","Hunter, L. R.; Sellars, J. D.; Probert, M. R.","A reversible pressure-induced bond rearrangement of flexible lanthanide 2,5-bis(allyloxy)terephthalate coordination polymer networks","CrystEngComm","2022","","","","","10.1039/D2CE00499B","","","1.54178","CuKα","","0.0386","0.0377","","","0.1047","0.1058","","","","","","1.109","","","","has coordinates,has disorder","279272","2022-11-14","23:49:43",""
"7245817","9.908","0.0016","11.1776","0.0018","13.939","0.002","109.534","0.004","95.57","0.004","96.701","0.005","1429.6","0.4","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H34 Ce N3 O11 -","- C24 H34 Ce N3 O11 -","- C48 H68 Ce2 N6 O22 -","2","1","","Hunter, L. R.; Sellars, J. D.; Probert, M. R.","A reversible pressure-induced bond rearrangement of flexible lanthanide 2,5-bis(allyloxy)terephthalate coordination polymer networks","CrystEngComm","2022","","","","","10.1039/D2CE00499B","","","1.54178","CuKα","","0.0398","0.0391","","","0.1092","0.1099","","","","","","1.039","","","","has coordinates,has disorder","279272","2022-11-14","23:49:43",""
"7245818","10.3633","0.0008","10.4061","0.0008","13.8433","0.001","81.375","0.003","70.977","0.003","89.188","0.003","1394.43","0.18","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H34 Gd N3 O11 -","- C24 H34 Gd N3 O11 -","- C48 H68 Gd2 N6 O22 -","2","1","","Hunter, L. R.; Sellars, J. D.; Probert, M. R.","A reversible pressure-induced bond rearrangement of flexible lanthanide 2,5-bis(allyloxy)terephthalate coordination polymer networks","CrystEngComm","2022","","","","","10.1039/D2CE00499B","","","1.54178","CuKα","","0.0231","0.0222","","","0.0594","0.0599","","","","","","1.083","","","","has coordinates","279272","2022-11-14","23:49:43",""
"7245819","10.0371","0.0003","11.144","0.0003","14.0248","0.0008","109.464","0.003","94.951","0.003","96.101","0.001","1458.25","0.11","296.15","","296.15","","","","2500000","","","","","5","P -1","-P 1","2","","","","- C24 H34 N3 O11 Pr -","- C24 H34 N3 O11 Pr -","- C48 H68 N6 O22 Pr2 -","2","1","","Hunter, L. R.; Sellars, J. D.; Probert, M. R.","A reversible pressure-induced bond rearrangement of flexible lanthanide 2,5-bis(allyloxy)terephthalate coordination polymer networks","CrystEngComm","2022","","","","","10.1039/D2CE00499B","","","0.56086","AgKα","","0.0363","0.0324","","","0.0804","0.0833","","","","","","1.019","","","","has coordinates","279272","2022-11-14","23:49:43",""
"7245820","9.8824","0.0004","10.0039","0.0004","13.3049","0.0009","98.203","0.004","111.376","0.004","91.257","0.002","1208.43","0.11","293","","293","","","","3500000","","","","","5","P -1","-P 1","2","","","","- C24 H34 N3 O11 Pr -","- C24 H34 N3 O11 Pr -","- C48 H68 N6 O22 Pr2 -","2","1","","Hunter, L. R.; Sellars, J. D.; Probert, M. R.","A reversible pressure-induced bond rearrangement of flexible lanthanide 2,5-bis(allyloxy)terephthalate coordination polymer networks","CrystEngComm","2022","","","","","10.1039/D2CE00499B","","","0.56086","AgKα","","0.0244","0.0216","","","0.0502","0.0512","","","","","","1.074","","","","has coordinates","279272","2022-11-14","23:49:43",""
"7245821","10.4991","0.0013","10.5703","0.0013","13.8816","0.0017","83.999","0.005","71.592","0.006","89.746","0.005","1453.1","0.3","290","","290","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H34 N3 O11 Tb -","- C24 H34 N3 O11 Tb -","- C48 H68 N6 O22 Tb2 -","2","1","","Hunter, L. R.; Sellars, J. D.; Probert, M. R.","A reversible pressure-induced bond rearrangement of flexible lanthanide 2,5-bis(allyloxy)terephthalate coordination polymer networks","CrystEngComm","2022","","","","","10.1039/D2CE00499B","","","1.54178","CuKα","","0.0567","0.0535","","","0.1506","0.1533","","","","","","1.111","","","","has coordinates","279272","2022-11-14","23:49:43",""
"7245822","10.3607","0.0008","10.4017","0.0008","13.8104","0.001","81.551","0.003","71.01","0.004","89.16","0.003","1391.18","0.19","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H34 N3 O11 Tb -","- C24 H34 N3 O11 Tb -","- C48 H68 N6 O22 Tb2 -","2","1","","Hunter, L. R.; Sellars, J. D.; Probert, M. R.","A reversible pressure-induced bond rearrangement of flexible lanthanide 2,5-bis(allyloxy)terephthalate coordination polymer networks","CrystEngComm","2022","","","","","10.1039/D2CE00499B","","","1.54178","CuKα","","0.0281","0.0265","","","0.0719","0.0728","","","","","","1.116","","","","has coordinates","279272","2022-11-14","23:49:43",""
"7245823","10.3582","0.0008","10.4047","0.0008","13.799","0.0011","81.692","0.003","71.113","0.003","89.156","0.003","1391.52","0.19","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H34 Dy N3 O11 -","- C24 H34 Dy N3 O11 -","- C48 H68 Dy2 N6 O22 -","2","1","","Hunter, L. R.; Sellars, J. D.; Probert, M. R.","A reversible pressure-induced bond rearrangement of flexible lanthanide 2,5-bis(allyloxy)terephthalate coordination polymer networks","CrystEngComm","2022","","","","","10.1039/D2CE00499B","","","1.54178","CuKα","","0.0415","0.0402","","","0.108","0.1091","","","","","","1.072","","","","has coordinates","279272","2022-11-14","23:49:43",""
"7245824","10.0678","0.0011","11.1512","0.0012","14.0297","0.0015","109.416","0.003","95.138","0.003","95.947","0.003","1464.6","0.3","290","","290","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H34 N3 O11 Pr -","- C24 H34 N3 O11 Pr -","- C48 H68 N6 O22 Pr2 -","2","1","","Hunter, L. R.; Sellars, J. D.; Probert, M. R.","A reversible pressure-induced bond rearrangement of flexible lanthanide 2,5-bis(allyloxy)terephthalate coordination polymer networks","CrystEngComm","2022","","","","","10.1039/D2CE00499B","","","1.54178","CuKα","","0.042","0.0411","","","0.1136","0.1146","","","","","","1.084","","","","has coordinates","279272","2022-11-14","23:49:43",""
"7245825","9.8113","0.0006","9.914","0.001","13.2568","0.0008","81.104","0.007","68.313","0.003","88.342","0.007","1183.23","0.16","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H34 N3 O11 Tb -","- C24 H34 N3 O11 Tb -","- C48 H68 N6 O22 Tb2 -","2","1","","Hunter, L. R.; Sellars, J. D.; Probert, M. R.","A reversible pressure-induced bond rearrangement of flexible lanthanide 2,5-bis(allyloxy)terephthalate coordination polymer networks","CrystEngComm","2022","","","","","10.1039/D2CE00499B","","","0.56086","AgKα","","0.0396","0.0303","","","0.0589","0.062","","","","","","1.041","","","","has coordinates","279272","2022-11-14","23:49:43",""
"7245826","36.495","0.0004","16.3703","0.0002","60.2225","0.0006","90","","127.005","0.001","90","","28732.2","0.7","173","2","173.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C102.5 H139.5 Br8 Dy4 N12 Ni8 O39.25 -","- C102.5 H139.5 Br8 Dy4 N12 Ni8 O39.25 -","- C820 H1116 Br64 Dy32 N96 Ni64 O314 -","8","1","","Yu, Shui; Hu, Huancheng; Qiu, Zhihui; Zhang, Yuzhen; Liu, Dongcheng; Liang, Yuning; Zou, Hua-Hong; Liang, Fu-Pei; Chen, Zilu","Structure and assembly mechanism of a centipede-shaped high-nuclear Dy14Cu12 heterometallic nanocluster","CrystEngComm","2023","25","1","114","121","10.1039/D2CE01291J","","","1.54184","CuKα","","0.0916","0.078","","","0.1933","0.2022","","","","","","1.104","","","","has coordinates,has disorder","281402","2023-03-04","18:07:13",""
"7245831","6.17726","0.00017","8.7053","0.0002","17.7126","0.0005","90","","100.039","0.003","90","","937.91","0.04","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Cl6 Ga2 N2 -","- C12 H12 Cl6 Ga2 N2 -","- C24 H24 Cl12 Ga4 N4 -","2","0.5","","Gugin, Nikita Y.; Virovets, Alexander V.; Peresypkina, Eugenia; Davydova, Elena I.; Timoshkin, Alexey Y.","Coordination polymers and molecular complexes of group 13 metal halides with bis-pyridylethane: comparison with rigid N-containing ligands","CrystEngComm","2022","","","","","10.1039/D2CE01063A","","x-ray","1.54184","CuKα","","0.0187","0.0167","","","0.0431","0.0437","","","","","","1.055","","","","has coordinates","279300","2022-11-15","23:33:30",""
"7245832","10.04888","0.00013","10.04888","0.00013","24.976","0.0005","90","","90","","120","","2184.18","0.06","90","2","90","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C24 H24 Al2 Cl6 N4 -","- C24 H24 Al2 Cl6 N4 -","- C72 H72 Al6 Cl18 N12 -","3","0.5","","Gugin, Nikita Y.; Virovets, Alexander V.; Peresypkina, Eugenia; Davydova, Elena I.; Timoshkin, Alexey Y.","Coordination polymers and molecular complexes of group 13 metal halides with bis-pyridylethane: comparison with rigid N-containing ligands","CrystEngComm","2022","","","","","10.1039/D2CE01063A","","","1.54178","CuKα","","0.0336","0.0299","","","0.0742","0.0755","","","","","","1.003","","","","has coordinates,has disorder","279300","2022-11-15","23:33:31",""
"7245833","10.0853","0.0003","10.0853","0.0003","24.8734","0.0008","90","","90","","120","","2191.01","0.12","90","2","90","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C24 H24 Cl6 Ga2 N4 -","- C24 H24 Cl6 Ga2 N4 -","- C72 H72 Cl18 Ga6 N12 -","3","0.5","","Gugin, Nikita Y.; Virovets, Alexander V.; Peresypkina, Eugenia; Davydova, Elena I.; Timoshkin, Alexey Y.","Coordination polymers and molecular complexes of group 13 metal halides with bis-pyridylethane: comparison with rigid N-containing ligands","CrystEngComm","2022","","","","","10.1039/D2CE01063A","","","1.54178","CuKα","","0.0469","0.0391","","","0.0974","0.1017","","","","","","1.022","","","","has coordinates,has disorder","279300","2022-11-15","23:33:31",""
"7245834","6.47388","0.00017","10.5857","0.0002","14.3038","0.0004","90","","100.461","0.002","90","","963.95","0.04","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Al2 Cl6 N2 -","- C12 H12 Al2 Cl6 N2 -","- C24 H24 Al4 Cl12 N4 -","2","0.5","","Gugin, Nikita Y.; Virovets, Alexander V.; Peresypkina, Eugenia; Davydova, Elena I.; Timoshkin, Alexey Y.","Coordination polymers and molecular complexes of group 13 metal halides with bis-pyridylethane: comparison with rigid N-containing ligands","CrystEngComm","2022","","","","","10.1039/D2CE01063A","","x-ray","1.54178","CuKα","","0.0315","0.0262","","","0.064","0.0652","","","","","","0.946","","","","has coordinates","279300","2022-11-15","23:33:31",""
"7245835","11.7677","0.0005","9.7423","0.0007","11.5702","0.0006","90","","107.931","0.005","90","","1262.03","0.13","80","2","80","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C24 H24 Al Br3 N4 -","- C24 H24 Al Br3 N4 -","- C48 H48 Al2 Br6 N8 -","2","0.5","","Gugin, Nikita Y.; Virovets, Alexander V.; Peresypkina, Eugenia; Davydova, Elena I.; Timoshkin, Alexey Y.","Coordination polymers and molecular complexes of group 13 metal halides with bis-pyridylethane: comparison with rigid N-containing ligands","CrystEngComm","2022","","","","","10.1039/D2CE01063A","","x-ray","0.6888","synchrotron","","0.0977","0.0903","","","0.2379","0.2432","","","","","","1.088","","","","has coordinates,has disorder","279300","2022-11-15","23:33:31",""
"7245836","6.39529","0.00014","8.7687","0.0002","18.3104","0.0005","90","","98.845","0.002","90","","1014.61","0.04","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Br6 Ga2 N2 -","- C12 H12 Br6 Ga2 N2 -","- C24 H24 Br12 Ga4 N4 -","2","0.5","","Gugin, Nikita Y.; Virovets, Alexander V.; Peresypkina, Eugenia; Davydova, Elena I.; Timoshkin, Alexey Y.","Coordination polymers and molecular complexes of group 13 metal halides with bis-pyridylethane: comparison with rigid N-containing ligands","CrystEngComm","2022","","","","","10.1039/D2CE01063A","","","1.54178","CuKα","","0.0333","0.0255","","","0.0583","0.0598","","","","","","0.951","","","","has coordinates","279300","2022-11-15","23:33:31",""
"7245837","6.40978","0.00014","8.7438","0.0002","18.2936","0.0004","90","","98.795","0.002","90","","1013.22","0.04","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Al2 Br6 N2 -","- C12 H12 Al2 Br6 N2 -","- C24 H24 Al4 Br12 N4 -","2","0.5","","Gugin, Nikita Y.; Virovets, Alexander V.; Peresypkina, Eugenia; Davydova, Elena I.; Timoshkin, Alexey Y.","Coordination polymers and molecular complexes of group 13 metal halides with bis-pyridylethane: comparison with rigid N-containing ligands","CrystEngComm","2022","","","","","10.1039/D2CE01063A","","","1.54178","CuKα","","0.0266","0.0247","","","0.0655","0.0667","","","","","","1.067","","","","has coordinates","279300","2022-11-15","23:33:31",""
"7245838","10.3077","0.0001","30.5567","0.0003","13.49162","0.00013","90","","99.2974","0.001","90","","4193.62","0.07","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C72 H72 Br12 Ga4 N12 -","- C72 H72 Br12 Ga4 N12 -","- C144 H144 Br24 Ga8 N24 -","2","1","","Gugin, Nikita Y.; Virovets, Alexander V.; Peresypkina, Eugenia; Davydova, Elena I.; Timoshkin, Alexey Y.","Coordination polymers and molecular complexes of group 13 metal halides with bis-pyridylethane: comparison with rigid N-containing ligands","CrystEngComm","2022","","","","","10.1039/D2CE01063A","","","1.54178","CuKα","","0.0552","0.0484","","","0.1203","0.1232","","","","","","1.078","","","","has coordinates,has disorder","279300","2022-11-15","23:33:31",""
"7245839","9.7026","0.0012","9.9293","0.0013","12.8415","0.0016","100.645","0.002","99.837","0.002","116.544","0.002","1041.5","0.2","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H34 Cd3 N4 O18 -","- C44 H34 Cd3 N4 O18 -","- C44 H34 Cd3 N4 O18 -","1","0.5","","Geng, Jun; Lin, Hongyan; Li, Xiaohui; Lu, Junjun; Wang, XiuLi","Improvement of the fluorescent sensing biomarker 3-nitrotyrosine for a new luminescent coordination polymer by size regulation","CrystEngComm","2022","","","","","10.1039/D2CE01397E","","x-ray","0.71073","MoKα","K-L~3~","0.0844","0.0501","","","0.1202","0.1373","","","","","","1.037","","","","has coordinates","279301","2022-11-15","23:34:19",""
"7245842","10.1024","0.0002","10.91929","0.00018","13.0659","0.0003","90","","106.645","0.002","90","","1380.92","0.05","160","1","160","1","","","","","","","","6","I 1 2 1","I 2y","5","","","","- C30 H24 Br4 N2 Ni O2 -","- C30 H24 Br4 N2 Ni O2 -","- C60 H48 Br8 N4 Ni2 O4 -","2","0.5","","Saadati, Arezoo; Amiri Rudbari, Hadi; Aryaeifar, Mahnaz; Blacque, Olivier; Correia, Isabel; Islam, Mohammad Khairul; Woschko, Dennis; Haj Hassani Sohi, Takin; Janiak, Christoph; Enamullah, Mohammed","Experimental and computational studies on pseudotetrahedral nickel(ii)-(S or R)-dihalogen-salicylaldiminates with Δ- or Λ-chirality induction at-metal","CrystEngComm","2023","25","3","365","377","10.1039/D2CE01311H","","x-ray","0.71073","MoKα","","0.0352","0.0335","","","0.0841","0.0856","","","","","","1.028","","","","has coordinates","281463","2023-03-04","18:22:31",""
"7245843","10.1101","0.0002","10.85749","0.00019","13.0218","0.0003","90","","107.285","0.002","90","","1364.85","0.05","160","1","160","1","","","","","","","","7","I 1 2 1","I 2y","5","","","","- C30 H24 Br2 Cl2 N2 Ni O2 -","- C30 H24 Br2 Cl2 N2 Ni O2 -","- C60 H48 Br4 Cl4 N4 Ni2 O4 -","2","0.5","","Saadati, Arezoo; Amiri Rudbari, Hadi; Aryaeifar, Mahnaz; Blacque, Olivier; Correia, Isabel; Islam, Mohammad Khairul; Woschko, Dennis; Haj Hassani Sohi, Takin; Janiak, Christoph; Enamullah, Mohammed","Experimental and computational studies on pseudotetrahedral nickel(ii)-(S or R)-dihalogen-salicylaldiminates with Δ- or Λ-chirality induction at-metal","CrystEngComm","2023","25","3","365","377","10.1039/D2CE01311H","","x-ray","0.71073","MoKα","","0.0134","0.0131","","","0.0334","0.0335","","","","","","1.045","","","","has coordinates","281463","2023-03-04","18:22:31",""
"7245844","9.98147","0.00015","10.86524","0.00017","12.8851","0.0002","90","","106.697","0.0017","90","","1338.48","0.04","160","1","160","1","","","","","","","","6","I 1 2 1","I 2y","5","","","","- C30 H24 Cl4 N2 Ni O2 -","- C30 H24 Cl4 N2 Ni O2 -","- C60 H48 Cl8 N4 Ni2 O4 -","2","0.5","","Saadati, Arezoo; Amiri Rudbari, Hadi; Aryaeifar, Mahnaz; Blacque, Olivier; Correia, Isabel; Islam, Mohammad Khairul; Woschko, Dennis; Haj Hassani Sohi, Takin; Janiak, Christoph; Enamullah, Mohammed","Experimental and computational studies on pseudotetrahedral nickel(ii)-(S or R)-dihalogen-salicylaldiminates with Δ- or Λ-chirality induction at-metal","CrystEngComm","2023","25","3","365","377","10.1039/D2CE01311H","","x-ray","1.54184","CuKα","","0.0225","0.0219","","","0.0571","0.0573","","","","","","1.058","","","","has coordinates","281463","2023-03-04","18:22:31",""
"7245845","10.0967","0.0001","10.85","0.0001","13.0172","0.0002","90","","107.314","0.001","90","","1361.41","0.03","160","1","160","1","","","","","","","","7","I 1 2 1","I 2y","5","","","","- C30 H24 Br2 Cl2 N2 Ni O2 -","- C30 H24 Br2 Cl2 N2 Ni O2 -","- C60 H48 Br4 Cl4 N4 Ni2 O4 -","2","0.5","","Saadati, Arezoo; Amiri Rudbari, Hadi; Aryaeifar, Mahnaz; Blacque, Olivier; Correia, Isabel; Islam, Mohammad Khairul; Woschko, Dennis; Haj Hassani Sohi, Takin; Janiak, Christoph; Enamullah, Mohammed","Experimental and computational studies on pseudotetrahedral nickel(ii)-(S or R)-dihalogen-salicylaldiminates with Δ- or Λ-chirality induction at-metal","CrystEngComm","2023","25","3","365","377","10.1039/D2CE01311H","","x-ray","0.71073","MoKα","","0.0141","0.0136","","","0.0325","0.0327","","","","","","1.064","","","","has coordinates","281463","2023-03-04","18:22:31",""
"7245846","10.1059","0.0001","10.9312","0.0001","13.0682","0.0001","90","","106.621","0.001","90","","1383.32","0.02","160","1","160","1","","","","","","","","6","I 1 2 1","I 2y","5","","","","- C30 H24 Br4 N2 Ni O2 -","- C30 H24 Br4 N2 Ni O2 -","- C60 H48 Br8 N4 Ni2 O4 -","2","0.5","","Saadati, Arezoo; Amiri Rudbari, Hadi; Aryaeifar, Mahnaz; Blacque, Olivier; Correia, Isabel; Islam, Mohammad Khairul; Woschko, Dennis; Haj Hassani Sohi, Takin; Janiak, Christoph; Enamullah, Mohammed","Experimental and computational studies on pseudotetrahedral nickel(ii)-(S or R)-dihalogen-salicylaldiminates with Δ- or Λ-chirality induction at-metal","CrystEngComm","2023","25","3","365","377","10.1039/D2CE01311H","","x-ray","1.54184","CuKα","","0.0174","0.0174","","","0.0461","0.0461","","","","","","1.073","","","","has coordinates","281463","2023-03-04","18:22:31",""
"7245847","9.9679","0.0002","10.8655","0.0002","12.8831","0.0004","90","","106.713","0.003","90","","1336.38","0.06","160","1","160","1","","","","","","","","6","I 1 2 1","I 2y","5","","","","- C30 H24 Cl4 N2 Ni O2 -","- C30 H24 Cl4 N2 Ni O2 -","- C60 H48 Cl8 N4 Ni2 O4 -","2","0.5","","Saadati, Arezoo; Amiri Rudbari, Hadi; Aryaeifar, Mahnaz; Blacque, Olivier; Correia, Isabel; Islam, Mohammad Khairul; Woschko, Dennis; Haj Hassani Sohi, Takin; Janiak, Christoph; Enamullah, Mohammed","Experimental and computational studies on pseudotetrahedral nickel(ii)-(S or R)-dihalogen-salicylaldiminates with Δ- or Λ-chirality induction at-metal","CrystEngComm","2023","25","3","365","377","10.1039/D2CE01311H","","x-ray","0.71073","MoKα","","0.0272","0.0256","","","0.0647","0.0659","","","","","","1.054","","","","has coordinates","281463","2023-03-04","18:22:31",""
"7245849","9.2418","0.0013","11.9961","0.0014","14.365","0.0019","87.506","0.01","79.734","0.011","75.312","0.01","1515.9","0.4","203","2","203","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H33 Br3 O3 -","- C33 H33 Br3 O3 -","- C66 H66 Br6 O6 -","2","1","","Ebersbach, Ben; Seichter, Wilhelm; Schwarzer, Anke; Mazik, Monika","Supramolecular patterns in the crystal structures of 1,3,5-trisubstituted 2,4,6-triethylbenzenes bearing halogenophenoxy groups","CrystEngComm","2023","25","1","137","153","10.1039/D2CE01203K","","","0.71073","MoKα","","0.0834","0.0487","","","0.0895","0.1041","","","","","","1.088","","","","has coordinates,has disorder","281405","2023-03-04","18:08:05",""
"7245850","9.1331","0.0005","12.2577","0.0006","14.8298","0.0007","87.379","0.004","80.456","0.004","74.276","0.004","1575.96","0.14","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H33 I3 O3 -","- C33 H33 I3 O3 -","- C66 H66 I6 O6 -","2","1","","Ebersbach, Ben; Seichter, Wilhelm; Schwarzer, Anke; Mazik, Monika","Supramolecular patterns in the crystal structures of 1,3,5-trisubstituted 2,4,6-triethylbenzenes bearing halogenophenoxy groups","CrystEngComm","2023","25","1","137","153","10.1039/D2CE01203K","","","0.71073","MoKα","","0.0785","0.0457","","","0.0938","0.1087","","","","","","1.027","","","","has coordinates,has disorder","281405","2023-03-04","18:08:05",""
"7245851","16.379","0.005","16.507","0.003","16.949","0.004","72.005","0.017","70.41","0.02","66.18","0.02","3868.6","1.8","153","2","153","","","","","","","","","4","P -1","-P 1","2","","","","- C39 H47 I3 O4 -","- C39 H47 I3 O4 -","- C156 H188 I12 O16 -","4","2","","Ebersbach, Ben; Seichter, Wilhelm; Schwarzer, Anke; Mazik, Monika","Supramolecular patterns in the crystal structures of 1,3,5-trisubstituted 2,4,6-triethylbenzenes bearing halogenophenoxy groups","CrystEngComm","2023","25","1","137","153","10.1039/D2CE01203K","","","0.71073","MoKα","","0.0718","0.0444","","","0.0915","0.1033","","","","","","1.028","","","","has coordinates,has disorder","281405","2023-03-04","18:08:05",""
"7245852","9.543","0.003","13.487","0.004","14.872","0.003","112.213","0.019","93.826","0.019","90.32","0.02","1767.1","0.9","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H43 Br3 O4 -","- C37 H43 Br3 O4 -","- C74 H86 Br6 O8 -","2","1","","Ebersbach, Ben; Seichter, Wilhelm; Schwarzer, Anke; Mazik, Monika","Supramolecular patterns in the crystal structures of 1,3,5-trisubstituted 2,4,6-triethylbenzenes bearing halogenophenoxy groups","CrystEngComm","2023","25","1","137","153","10.1039/D2CE01203K","","","0.71073","MoKα","","0.0703","0.0475","","","0.1009","0.1158","","","","","","1.069","","","","has coordinates","281405","2023-03-04","18:08:05",""
"7245853","26.4658","0.0018","10.9463","0.0005","27.261","0.002","90","","100.532","0.006","90","","7764.5","0.9","153","2","153","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C33 H27 Br9 O3 -","- C33 H27 Br9 O3 -","- C264 H216 Br72 O24 -","8","1","","Ebersbach, Ben; Seichter, Wilhelm; Schwarzer, Anke; Mazik, Monika","Supramolecular patterns in the crystal structures of 1,3,5-trisubstituted 2,4,6-triethylbenzenes bearing halogenophenoxy groups","CrystEngComm","2023","25","1","137","153","10.1039/D2CE01203K","","","0.71073","MoKα","","0.0591","0.044","","","0.105","0.1149","","","","","","1.044","","","","has coordinates","281405","2023-03-04","18:08:05",""
"7245854","14.5959","0.0015","13.3943","0.0012","19.924","0.003","90","","100.189","0.009","90","","3833.8","0.8","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H40 Br6 O4 -","- C37 H40 Br6 O4 -","- C148 H160 Br24 O16 -","4","1","","Ebersbach, Ben; Seichter, Wilhelm; Schwarzer, Anke; Mazik, Monika","Supramolecular patterns in the crystal structures of 1,3,5-trisubstituted 2,4,6-triethylbenzenes bearing halogenophenoxy groups","CrystEngComm","2023","25","1","137","153","10.1039/D2CE01203K","","","0.71073","MoKα","","0.0489","0.0359","","","0.0827","0.091","","","","","","1.057","","","","has coordinates","281405","2023-03-04","18:08:05",""
"7245855","17.7349","0.0011","23.194","0.003","8.796","0.004","90","","97.162","0.014","90","","3589.9","1.7","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H27 Br9 O3 -","- C33 H27 Br9 O3 -","- C132 H108 Br36 O12 -","4","1","","Ebersbach, Ben; Seichter, Wilhelm; Schwarzer, Anke; Mazik, Monika","Supramolecular patterns in the crystal structures of 1,3,5-trisubstituted 2,4,6-triethylbenzenes bearing halogenophenoxy groups","CrystEngComm","2023","25","1","137","153","10.1039/D2CE01203K","","","0.71073","MoKα","","0.0531","0.0309","","","0.056","0.0621","","","","","","1.009","","","","has coordinates","281405","2023-03-04","18:08:05",""
"7245856","6.3684","0.0002","7.8176","0.0002","18.5044","0.0007","90","","90","","90","","921.25","0.05","99.98","0.1","99.98","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(R)-Pregabalin","(R)-3-isobutyl-Î^3^-aminobutyric acid","","- C8 H17 N O2 -","- C8 H17 N O2 -","- C32 H68 N4 O8 -","4","1","","Komisarek, Daniel; Haj Hassani Sohi, Takin; Vasylyeva, Vera","Co-Crystals of Zwitterionic GABA API’s Pregabalin and Phenibut: Properties and Application","CrystEngComm","2022","","","","","10.1039/D2CE01416E","","x-ray","1.54184","CuKα","","0.043","0.0405","","","0.0975","0.0995","","","","","","1.053","","","","has coordinates","279369","2022-11-17","23:34:24",""
"7245857","7.5009","0.0001","7.5581","0.0001","26.1805","0.0003","90","","90","","90","","1484.24","0.03","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(S)-Pregabalin (S)-Malic Acid","(S)-3-isobutyl-Î^3^-aminobutyric acid (S)-2-Hydroxysuccinic acid","","- C12 H23 N O7 -","- C12 H23 N O7 -","- C48 H92 N4 O28 -","4","1","","Komisarek, Daniel; Haj Hassani Sohi, Takin; Vasylyeva, Vera","Co-Crystals of Zwitterionic GABA API’s Pregabalin and Phenibut: Properties and Application","CrystEngComm","2022","","","","","10.1039/D2CE01416E","","x-ray","1.54184","CuKα","","0.0268","0.0249","","","0.0586","0.0594","","","","","","1.053","","","","has coordinates","279369","2022-11-17","23:34:25",""
"7245858","7.4404","0.0001","7.7039","0.0001","25.9566","0.0003","90","","90","","90","","1487.83","0.03","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(S)-Pregabalin (R)-Malic Acid","(S)-3-isobutyl-Î^3^-aminobutyric acid (R)-2-Hydroxysuccinic acid","","- C12 H23 N O7 -","- C12 H23 N O7 -","- C48 H92 N4 O28 -","4","1","","Komisarek, Daniel; Haj Hassani Sohi, Takin; Vasylyeva, Vera","Co-Crystals of Zwitterionic GABA API’s Pregabalin and Phenibut: Properties and Application","CrystEngComm","2022","","","","","10.1039/D2CE01416E","","x-ray","1.54184","CuKα","","0.0306","0.0301","","","0.0774","0.0778","","","","","","1.109","","","","has coordinates","279369","2022-11-17","23:34:25",""
"7245859","6.3444","0.0002","7.8094","0.0003","18.4933","0.0006","90","","90","","90","","916.27","0.05","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(S)-Pregabalin","(S)-3-isobutyl-Î^3^-aminobutyric acid","","- C8 H17 N O2 -","- C8 H17 N O2 -","- C32 H68 N4 O8 -","4","1","","Komisarek, Daniel; Haj Hassani Sohi, Takin; Vasylyeva, Vera","Co-Crystals of Zwitterionic GABA API’s Pregabalin and Phenibut: Properties and Application","CrystEngComm","2022","","","","","10.1039/D2CE01416E","","x-ray","1.54184","CuKα","","0.0321","0.0301","","","0.0771","0.0786","","","","","","1.043","","","","has coordinates","279369","2022-11-17","23:34:25",""
"7245860","10.1307","0.0002","6.3539","0.0001","13.0633","0.0002","90","","95.469","0.002","90","","837.05","0.02","99.96","0.11","99.96","0.11","","","","","","","","4","P 1 21 1","P 2yb","4","(R)-Phenibut (S)-Mandelic Acid","(R)-3-phenyl-Î^3^-aminobutyric acid (S)-2-Hydroxy-2-phenylacetic acid","","- C18 H21 N O5 -","- C18 H21 N O5 -","- C36 H42 N2 O10 -","2","1","","Komisarek, Daniel; Haj Hassani Sohi, Takin; Vasylyeva, Vera","Co-Crystals of Zwitterionic GABA API’s Pregabalin and Phenibut: Properties and Application","CrystEngComm","2022","","","","","10.1039/D2CE01416E","","x-ray","1.54184","CuKα","","0.0324","0.0315","","","0.0816","0.0824","","","","","","1.068","","","","has coordinates","279369","2022-11-17","23:34:25",""
"7245861","6.0517","0.0001","29.8989","0.0005","9.3069","0.0001","90","","92.641","0.001","90","","1682.19","0.04","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","(R)-Pregabalin (S)-Mandelic Acid","(R)-3-isobutyl-Î^3^-aminobutyric acid (S)-2-Hydroxy-2-phenylacetic acid","","- C16 H25 N O5 -","- C16 H25 N O5 -","- C64 H100 N4 O20 -","4","2","","Komisarek, Daniel; Haj Hassani Sohi, Takin; Vasylyeva, Vera","Co-Crystals of Zwitterionic GABA API’s Pregabalin and Phenibut: Properties and Application","CrystEngComm","2022","","","","","10.1039/D2CE01416E","","x-ray","1.54184","CuKα","","0.0309","0.03","","","0.0727","0.0733","","","","","","1.048","","","","has coordinates","279369","2022-11-17","23:34:25",""
"7245862","6.0771","0.0001","29.9265","0.0005","9.3066","0.0001","90","","92.662","0.001","90","","1690.73","0.04","100","0.2","100","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","(S)-Pregabalin (R)-Mandelic Acid","(S)-3-isobutyl-Î^3^-aminobutyric acid (R)-2-Hydroxy-2-phenylacetic acid","","- C16 H25 N O5 -","- C16 H25 N O5 -","- C64 H100 N4 O20 -","4","2","","Komisarek, Daniel; Haj Hassani Sohi, Takin; Vasylyeva, Vera","Co-Crystals of Zwitterionic GABA API’s Pregabalin and Phenibut: Properties and Application","CrystEngComm","2022","","","","","10.1039/D2CE01416E","","x-ray","1.54184","CuKα","","0.051","0.0497","","","0.119","0.1205","","","","","","1.05","","","","has coordinates","279369","2022-11-17","23:34:25",""
"7245863","6.2455","0.0001","27.388","0.0005","9.9624","0.0002","90","","90.462","0.002","90","","1704.03","0.05","99.98","0.13","99.98","0.13","","","","","","","","4","P 1 21 1","P 2yb","4","(S)-Pregabalin (S)-Mandelic Acid","(S)-3-isobutyl-Î^3^-aminobutyric acid (S)-2-Hydroxy-2-phenylacetic acid","","- C16 H25 N O5 -","- C16 H25 N O5 -","- C64 H100 N4 O20 -","4","2","","Komisarek, Daniel; Haj Hassani Sohi, Takin; Vasylyeva, Vera","Co-Crystals of Zwitterionic GABA API’s Pregabalin and Phenibut: Properties and Application","CrystEngComm","2022","","","","","10.1039/D2CE01416E","","x-ray","1.54184","CuKα","","0.0493","0.0458","","","0.1156","0.1186","","","","","","1.084","","","","has coordinates","279369","2022-11-17","23:34:25",""
"7245864","6.2527","0.0001","27.3848","0.0003","9.9603","0.0001","90","","90.483","0.001","90","","1705.43","0.04","99.97","0.16","99.97","0.16","","","","","","","","4","P 1 21 1","P 2yb","4","(R)-Pregabalin (R)-Mandelic Acid","(R)-3-isobutyl-Î^3^-aminobutyric acid (R)-2-Hydroxy-2-phenylacetic acid","","- C16 H25 N O5 -","- C16 H25 N O5 -","- C64 H100 N4 O20 -","4","2","","Komisarek, Daniel; Haj Hassani Sohi, Takin; Vasylyeva, Vera","Co-Crystals of Zwitterionic GABA API’s Pregabalin and Phenibut: Properties and Application","CrystEngComm","2022","","","","","10.1039/D2CE01416E","","x-ray","1.54184","CuKα","","0.0297","0.0278","","","0.0679","0.0689","","","","","","1.035","","","","has coordinates","279369","2022-11-17","23:34:25",""
"7245870","30.0732","0.001","30.0732","0.001","29.0267","0.0011","90","","90","","120","","22734.6","1.4","298","1","298","1","","","","","","","","5","R -3 :H","-R 3","148","","","","- C216 H342 N18 O104 Ti30 -","- C216 H342 N18 O104 Ti30 -","- C648 H1026 N54 O312 Ti90 -","3","0.166667","","Li, Huan; Cui, Xiaoqin; Li, Xin; Dong, Jing; Wang, Yuan; Zhang, Xian-Ming","A close-packed Ti6 and Ti12 nanocluster superstructure","CrystEngComm","2023","25","1","53","57","10.1039/D2CE01198K","","x-ray","1.54184","CuKα","","0.1774","0.1178","","","0.3109","0.3636","","","","","","1.133","","","","has coordinates,has disorder","281406","2023-03-04","18:08:21",""
"7245871","13.132","0.0004","6.6872","0.0002","13.2034","0.0004","90","","101.394","0.003","90","","1136.62","0.06","273","2","273","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H11 N3 O7 -","- C9 H11 N3 O7 -","- C36 H44 N12 O28 -","4","0.5","","Singh, Priyanka; Ahmad, Musheer; Siddiqui, Kafeel Ahmad","Bifunctional bis(2-carboxyethyl)isocyanurate crystal for high-performance photocatalytic degradation of rose bengal dye and luminescence sensing of PO43−, NO3−, Cl−, Cr2O72− and F− ions","CrystEngComm","2023","25","2","245","266","10.1039/D2CE01387H","","","0.71073","MoKα","","0.0635","0.0506","","","0.1455","0.162","","","","","","1.057","","","","has coordinates","281441","2023-03-04","18:17:01",""
"7245875","11.6559","0.0005","11.4576","0.0004","30.1022","0.0011","90","","94.1818","0.0012","90","","4009.4","0.3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C70 H90 Cl4 N6 O14 S6 Zn3 -","- C70 H90 Cl4 N6 O14 S6 Zn3 -","- C140 H180 Cl8 N12 O28 S12 Zn6 -","2","0.5","","Wang, Chih-Chieh; Chung, Yu-Chen; Liu, Chuan-Yien; Lee, Gene-Hsiang; Chien, Su-Ying; Chen, Bo-Hao; Chuang, Yu-Chun","Structural characterization and solvent vapor sorption of two solvent-dependent Zn(ii) supramolecular architectures based on a flexible tripodal thioether-based pyridyl ligand and a dicarboxylate-based ligand","CrystEngComm","2023","25","2","290","298","10.1039/D2CE01440H","","","0.71073","MoKα","","0.08","0.0712","","","0.1851","0.1907","","","","","","1.164","","","","has coordinates","281440","2023-03-04","18:16:55",""
"7245876","16.4499","0.0007","25.8927","0.0011","9.3733","0.0004","90","","90.8495","0.0012","90","","3992","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H45 N3 O9 S3 Zn -","- C39 H45 N3 O9 S3 Zn -","- C156 H180 N12 O36 S12 Zn4 -","4","1","","Wang, Chih-Chieh; Chung, Yu-Chen; Liu, Chuan-Yien; Lee, Gene-Hsiang; Chien, Su-Ying; Chen, Bo-Hao; Chuang, Yu-Chun","Structural characterization and solvent vapor sorption of two solvent-dependent Zn(ii) supramolecular architectures based on a flexible tripodal thioether-based pyridyl ligand and a dicarboxylate-based ligand","CrystEngComm","2023","25","2","290","298","10.1039/D2CE01440H","","","0.71073","MoKα","","0.1085","0.0964","","","0.2575","0.2677","","","","","","1.053","","","","has coordinates,has disorder","281440","2023-03-04","18:16:55",""
"7245877","9.6199","0.0007","9.1882","0.0005","17.4611","0.0011","90","","104.355","0.008","90","","1495.19","0.17","140","2","140","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 Cu I4 N2 O6 -","- C26 H20 Cu I4 N2 O6 -","- C52 H40 Cu2 I8 N4 O12 -","2","0.5","","Bondarenko, Mikhail A.; Abramov, Pavel A.; Korolkov, Ilya V.; Bogomyakov, Artem S.; Sokolov, Maxim N.; Adonin, Sergey A.","Cu(ii) 3,5-diiodosalicylate complexes: precursor-dependent formation of mono-, di-, tri- and tetranuclear compounds and 1D coordination polymers","CrystEngComm","2023","25","1","130","136","10.1039/D2CE01393B","","x-ray","0.71073","MoKα","","0.0522","0.0397","","","0.0825","0.0893","","","","","","1.048","","","","has coordinates,has disorder","281404","2023-03-04","18:07:42",""
"7245878","24.6536","0.0008","13.7854","0.0005","8.686","0.0003","90","","91.111","0.003","90","","2951.47","0.18","140","2","140","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Cu I4 N2 O6 -","- C26 H20 Cu I4 N2 O6 -","- C104 H80 Cu4 I16 N8 O24 -","4","1","","Bondarenko, Mikhail A.; Abramov, Pavel A.; Korolkov, Ilya V.; Bogomyakov, Artem S.; Sokolov, Maxim N.; Adonin, Sergey A.","Cu(ii) 3,5-diiodosalicylate complexes: precursor-dependent formation of mono-, di-, tri- and tetranuclear compounds and 1D coordination polymers","CrystEngComm","2023","25","1","130","136","10.1039/D2CE01393B","","x-ray","0.71073","MoKα","","0.075","0.0687","","","0.1492","0.1513","","","","","","1.203","","","","has coordinates","281404","2023-03-04","18:07:43",""
"7245879","32.1635","0.001","7.9649","0.0002","29.8771","0.001","90","","123.487","0.005","90","","6383.4","0.5","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C37.33 H40 Cl2.67 Cu2 I2.67 N4 O4 -","- C37.3333 H40 Cl2.66667 Cu2 I2.66667 N4 O4 -","- C224 H240 Cl16 Cu12 I16 N24 O24 -","6","0.75","","Bondarenko, Mikhail A.; Abramov, Pavel A.; Korolkov, Ilya V.; Bogomyakov, Artem S.; Sokolov, Maxim N.; Adonin, Sergey A.","Cu(ii) 3,5-diiodosalicylate complexes: precursor-dependent formation of mono-, di-, tri- and tetranuclear compounds and 1D coordination polymers","CrystEngComm","2023","25","1","130","136","10.1039/D2CE01393B","","x-ray","0.71073","MoKα","","0.0401","0.0349","","","0.0765","0.0788","","","","","","1.046","","","","has coordinates","281404","2023-03-04","18:07:43",""
"7245880","9.0941","0.0004","11.1084","0.0004","11.1815","0.0004","102.305","0.003","103.773","0.003","94.247","0.003","1062.57","0.07","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H17 Cl Cu I2 N2 O3 -","- C19 H17 Cl Cu I2 N2 O3 -","- C38 H34 Cl2 Cu2 I4 N4 O6 -","2","1","","Bondarenko, Mikhail A.; Abramov, Pavel A.; Korolkov, Ilya V.; Bogomyakov, Artem S.; Sokolov, Maxim N.; Adonin, Sergey A.","Cu(ii) 3,5-diiodosalicylate complexes: precursor-dependent formation of mono-, di-, tri- and tetranuclear compounds and 1D coordination polymers","CrystEngComm","2023","25","1","130","136","10.1039/D2CE01393B","","x-ray","0.71073","MoKα","","0.0512","0.0395","","","0.0779","0.082","","","","","","1.026","","","","has coordinates","281404","2023-03-04","18:07:43",""
"7245881","7.8509","0.0003","8.4157","0.0005","10.9695","0.0006","79.902","0.005","77.108","0.004","87.265","0.004","695.52","0.06","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H16 Cu I4 N2 O6 -","- C24 H16 Cu I4 N2 O6 -","- C24 H16 Cu I4 N2 O6 -","1","0.5","","Bondarenko, Mikhail A.; Abramov, Pavel A.; Korolkov, Ilya V.; Bogomyakov, Artem S.; Sokolov, Maxim N.; Adonin, Sergey A.","Cu(ii) 3,5-diiodosalicylate complexes: precursor-dependent formation of mono-, di-, tri- and tetranuclear compounds and 1D coordination polymers","CrystEngComm","2023","25","1","130","136","10.1039/D2CE01393B","","x-ray","0.71073","MoKα","","0.0397","0.0305","","","0.0568","0.0602","","","","","","1.027","","","","has coordinates","281404","2023-03-04","18:07:43",""
"7245882","11.0664","0.0006","11.0664","0.0006","23.521","0.002","90","","90","","90","","2880.5","0.3","140","2","140","2","","","","","","","","6","P 4/m n c","-P 4 2n","128","","","","- C37.6 H21.2 Cu2 I8 N4.8 O12 -","- C37.6 H21.2 Cu2 I8 N4.8 O12 -","- C75.2 H42.4 Cu4 I16 N9.6 O24 -","2","0.125","","Bondarenko, Mikhail A.; Abramov, Pavel A.; Korolkov, Ilya V.; Bogomyakov, Artem S.; Sokolov, Maxim N.; Adonin, Sergey A.","Cu(ii) 3,5-diiodosalicylate complexes: precursor-dependent formation of mono-, di-, tri- and tetranuclear compounds and 1D coordination polymers","CrystEngComm","2023","25","1","130","136","10.1039/D2CE01393B","","x-ray","0.71073","MoKα","","0.0742","0.0539","","","0.147","0.1569","","","","","","1.089","","","","has coordinates","281404","2023-03-04","18:07:43",""
"7245883","17.3463","0.0003","17.3463","0.0003","19.8722","0.0005","90","","90","","90","","5979.4","0.2","140","2","140","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C52 H36 Cu4 I8 N4 O12 -","- C52 H36 Cu4 I8 N4 O12 -","- C208 H144 Cu16 I32 N16 O48 -","4","0.25","","Bondarenko, Mikhail A.; Abramov, Pavel A.; Korolkov, Ilya V.; Bogomyakov, Artem S.; Sokolov, Maxim N.; Adonin, Sergey A.","Cu(ii) 3,5-diiodosalicylate complexes: precursor-dependent formation of mono-, di-, tri- and tetranuclear compounds and 1D coordination polymers","CrystEngComm","2023","25","1","130","136","10.1039/D2CE01393B","","x-ray","0.71073","MoKα","","0.0679","0.0617","","","0.1165","0.1188","","","","","","1.16","","","","has coordinates","281404","2023-03-04","18:07:43",""
"7245884","17.7967","0.0006","17.7967","0.0006","19.2988","0.0009","90","","90","","90","","6112.4","0.4","150","2","150","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C52 H36 Cu4 I8 N4 O12 -","- C52 H36 Cu4 I8 N4 O12 -","- C208 H144 Cu16 I32 N16 O48 -","4","0.25","","Bondarenko, Mikhail A.; Abramov, Pavel A.; Korolkov, Ilya V.; Bogomyakov, Artem S.; Sokolov, Maxim N.; Adonin, Sergey A.","Cu(ii) 3,5-diiodosalicylate complexes: precursor-dependent formation of mono-, di-, tri- and tetranuclear compounds and 1D coordination polymers","CrystEngComm","2023","25","1","130","136","10.1039/D2CE01393B","","","0.71073","MoKα","","0.0403","0.0326","","","0.0834","0.0882","","","","","","1.023","","","","has coordinates","281404","2023-03-04","18:07:43",""
"7245885","8.5657","0.0002","11.8674","0.0002","13.5591","0.0003","89.25","0.001","85.618","0.001","89.773","0.001","1374.16","0.05","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H47.8 Cl4 Cu3 I4 N6 O6 -","- C50 H47.8 Cl4 Cu3 I4 N6 O6 -","- C50 H47.8 Cl4 Cu3 I4 N6 O6 -","1","0.5","","Bondarenko, Mikhail A.; Abramov, Pavel A.; Korolkov, Ilya V.; Bogomyakov, Artem S.; Sokolov, Maxim N.; Adonin, Sergey A.","Cu(ii) 3,5-diiodosalicylate complexes: precursor-dependent formation of mono-, di-, tri- and tetranuclear compounds and 1D coordination polymers","CrystEngComm","2023","25","1","130","136","10.1039/D2CE01393B","","","0.71073","MoKα","","0.0285","0.0229","","","0.0521","0.0537","","","","","","1.062","","","","has coordinates,has disorder","281404","2023-03-04","18:07:43",""
"7245886","9.9896","0.0005","7.298","0.0003","20.0687","0.001","90","","90.958","0.002","90","","1462.89","0.12","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 Cu I2 N O3 -","- C13 H9 Cu I2 N O3 -","- C52 H36 Cu4 I8 N4 O12 -","4","1","","Bondarenko, Mikhail A.; Abramov, Pavel A.; Korolkov, Ilya V.; Bogomyakov, Artem S.; Sokolov, Maxim N.; Adonin, Sergey A.","Cu(ii) 3,5-diiodosalicylate complexes: precursor-dependent formation of mono-, di-, tri- and tetranuclear compounds and 1D coordination polymers","CrystEngComm","2023","25","1","130","136","10.1039/D2CE01393B","","","0.71073","MoKα","","0.0616","0.0519","","","0.1202","0.1241","","","","","","1.172","","","","has coordinates","281404","2023-03-04","18:07:43",""
"7245887","16.9289","0.0004","16.9289","0.0004","19.3081","0.0006","90","","90","","90","","5533.5","0.3","150","2","150","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C48 H28 Cu4 I8 N4 O12 -","- C48 H28 Cu4 I8 N4 O12 -","- C192 H112 Cu16 I32 N16 O48 -","4","0.25","","Bondarenko, Mikhail A.; Abramov, Pavel A.; Korolkov, Ilya V.; Bogomyakov, Artem S.; Sokolov, Maxim N.; Adonin, Sergey A.","Cu(ii) 3,5-diiodosalicylate complexes: precursor-dependent formation of mono-, di-, tri- and tetranuclear compounds and 1D coordination polymers","CrystEngComm","2023","25","1","130","136","10.1039/D2CE01393B","","x-ray","0.71073","MoKα","","0.0294","0.0256","","","0.0581","0.06","","","","","","1.077","","","","has coordinates","281404","2023-03-04","18:07:43",""
"7245888","5.2711","0.0007","14.3697","0.0017","23.766","0.003","90","","90","","90","","1800.1","0.4","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H12 Cu I2 N2 O3 -","- C15 H12 Cu I2 N2 O3 -","- C60 H48 Cu4 I8 N8 O12 -","4","1","","Bondarenko, Mikhail A.; Abramov, Pavel A.; Korolkov, Ilya V.; Bogomyakov, Artem S.; Sokolov, Maxim N.; Adonin, Sergey A.","Cu(ii) 3,5-diiodosalicylate complexes: precursor-dependent formation of mono-, di-, tri- and tetranuclear compounds and 1D coordination polymers","CrystEngComm","2023","25","1","130","136","10.1039/D2CE01393B","","","0.71073","MoKα","","0.0595","0.0413","","","0.0816","0.0878","","","","","","0.952","","","","has coordinates","281404","2023-03-04","18:07:43",""
"7245889","9.3176","0.0003","11.6974","0.0004","11.8686","0.0004","73.151","0.003","71.895","0.003","89.946","0.003","1171.09","0.07","142","2","142","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H21 Cl Cu I2 N2 O3 -","- C21 H21 Cl Cu I2 N2 O3 -","- C42 H42 Cl2 Cu2 I4 N4 O6 -","2","1","","Bondarenko, Mikhail A.; Abramov, Pavel A.; Korolkov, Ilya V.; Bogomyakov, Artem S.; Sokolov, Maxim N.; Adonin, Sergey A.","Cu(ii) 3,5-diiodosalicylate complexes: precursor-dependent formation of mono-, di-, tri- and tetranuclear compounds and 1D coordination polymers","CrystEngComm","2023","25","1","130","136","10.1039/D2CE01393B","","x-ray","0.71073","MoKα","","0.0465","0.0348","","","0.0672","0.0723","","","","","","1.009","","","","has coordinates","281404","2023-03-04","18:07:43",""
"7245890","17.7012","0.0004","17.7012","0.0004","20.5023","0.0008","90","","90","","90","","6424","0.3","150","2","150","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C56 H44 Cu4 I8 N4 O12 -","- C56 H44 Cu4 I8 N4 O12 -","- C224 H176 Cu16 I32 N16 O48 -","4","0.25","","Bondarenko, Mikhail A.; Abramov, Pavel A.; Korolkov, Ilya V.; Bogomyakov, Artem S.; Sokolov, Maxim N.; Adonin, Sergey A.","Cu(ii) 3,5-diiodosalicylate complexes: precursor-dependent formation of mono-, di-, tri- and tetranuclear compounds and 1D coordination polymers","CrystEngComm","2023","25","1","130","136","10.1039/D2CE01393B","","","0.71073","MoKα","","0.0477","0.0345","","","0.0813","0.089","","","","","","1.178","","","","has coordinates","281404","2023-03-04","18:07:43",""
"7245900","27.5957","0.0004","8.2299","0.0001","17.9221","0.0003","90","","96.375","0.001","90","","4045.12","0.1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H20 Br4 N2 Zn -","- C14 H20 Br4 N2 Zn -","- C112 H160 Br32 N16 Zn8 -","8","1","","Liu, Yu-Hang; Wang, Wen-Qi; Zhang, Bing-Lin; Wang, Yu-Jiao; Ren, Meng-Ping; Jing, Zhihong; Yue, Cheng-Yang","Zero-dimensional organic–inorganic hybrid zinc halide with broadband yellow light emission","CrystEngComm","2023","25","3","444","449","10.1039/D2CE01342H","","","1.54178","CuKα","","0.0456","0.0432","","","0.1052","0.1074","","","","","","1.154","","","","has coordinates","281466","2023-03-04","18:23:09",""
"7245901","15.25","0.002","15.25","0.002","6.8149","0.0014","90","","90","","120","","1372.6","0.4","150","2","150","2","","","","","","","","6","P 63","P 6c","173","","2,4,6-tris-(4-chlorophenoxy)-1,3,5-triazine tribromobenzene","","- C27 H15 Br3 Cl3 N3 O3 -","- C27 H15 Br3 Cl3 N3 O3 -","- C54 H30 Br6 Cl6 N6 O6 -","2","0.333333","","Popa, Marcel Mirel; Shova, Sergiu; Dascalu, Mihaela; Caira, Mino R.; Dumitrascu, Florea","Crystal structures of 5-bromo-1-arylpyrazoles and their halogen bonding features","CrystEngComm","2023","25","1","86","94","10.1039/D2CE01355J","","","0.71073","MoKα","","0.0328","0.0267","","","0.0623","0.0642","","","","","","1.037","","","","has coordinates","281409","2023-03-04","18:08:50",""
"7245902","5.586","","6.054","","7.432","","110.74","","90.21","","117.34","","204.564","","","","","","","","","","","","","5","P -1","-P 1","2","","Silver Scandium Bis(chromate) Dihydrate","","- Ag Cr2 H4 O10 Sc -","- Ag Cr2 H4 O10 Sc -","- Ag Cr2 H4 O10 Sc -","1","0.5","","Popa, Marcel Mirel; Shova, Sergiu; Dascalu, Mihaela; Caira, Mino R.; Dumitrascu, Florea","Crystal structures of 5-bromo-1-arylpyrazoles and their halogen bonding features","CrystEngComm","2023","25","1","86","94","10.1039/D2CE01355J","","","","","","0.0348","","","","","","","","","","","","","","","has coordinates","281409","2023-03-04","18:08:50",""
"7245903","5.3058","0.0005","10.0452","0.0009","28.782","0.002","90","","91.144","0.007","90","","1533.7","0.2","297.15","","297.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 Br Cl N2 O4 -","- C14 H12 Br Cl N2 O4 -","- C56 H48 Br4 Cl4 N8 O16 -","4","1","","Popa, Marcel Mirel; Shova, Sergiu; Dascalu, Mihaela; Caira, Mino R.; Dumitrascu, Florea","Crystal structures of 5-bromo-1-arylpyrazoles and their halogen bonding features","CrystEngComm","2023","25","1","86","94","10.1039/D2CE01355J","","","0.71073","MoKα","","0.1371","0.0964","","","0.2016","0.2253","","","","","","1.078","","","","has coordinates","281409","2023-03-04","18:08:50",""
"7245904","5.6908","0.0002","10.0921","0.0004","27.4423","0.0009","90","","84.574","0.003","90","","1569.01","0.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 Br N2 O4 -","- C15 H15 Br N2 O4 -","- C60 H60 Br4 N8 O16 -","4","1","","Popa, Marcel Mirel; Shova, Sergiu; Dascalu, Mihaela; Caira, Mino R.; Dumitrascu, Florea","Crystal structures of 5-bromo-1-arylpyrazoles and their halogen bonding features","CrystEngComm","2023","25","1","86","94","10.1039/D2CE01355J","","x-ray","0.71073","MoKα","","0.056","0.0377","","","0.0781","0.0856","","","","","","1.058","","","","has coordinates","281409","2023-03-04","18:08:50",""
"7245905","11.1782","0.0009","10.3856","0.0006","15.2063","0.0016","90","","107.016","0.009","90","","1688.1","0.3","294.8","0.3","294.8","0.3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 Br N2 O4 -","- C16 H17 Br N2 O4 -","- C64 H68 Br4 N8 O16 -","4","1","","Popa, Marcel Mirel; Shova, Sergiu; Dascalu, Mihaela; Caira, Mino R.; Dumitrascu, Florea","Crystal structures of 5-bromo-1-arylpyrazoles and their halogen bonding features","CrystEngComm","2023","25","1","86","94","10.1039/D2CE01355J","","x-ray","0.71073","MoKα","","0.0773","0.0467","","","0.0887","0.1028","","","","","","1.043","","","","has coordinates","281409","2023-03-04","18:08:50",""
"7245906","14.0434","0.0008","12.0064","0.0008","21.0629","0.0013","90","","90","","90","","3551.4","0.4","250.05","0.1","250.05","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H16 Br2 N2 O4 -","- C16 H16 Br2 N2 O4 -","- C128 H128 Br16 N16 O32 -","8","1","","Popa, Marcel Mirel; Shova, Sergiu; Dascalu, Mihaela; Caira, Mino R.; Dumitrascu, Florea","Crystal structures of 5-bromo-1-arylpyrazoles and their halogen bonding features","CrystEngComm","2023","25","1","86","94","10.1039/D2CE01355J","","x-ray","0.71073","MoKα","","0.0891","0.0483","","","0.0512","0.0596","","","","","","1.019","","","","has coordinates","281409","2023-03-04","18:08:50",""
"7245910","3.7166","0.0001","7.2862","0.0003","15.168","0.0005","84.565","0.001","84.984","0.001","85.194","0.001","406.15","0.02","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H12 Cl6 Cu3 N10 -","- C4 H12 Cl6 Cu3 N10 -","- C4 H12 Cl6 Cu3 N10 -","1","0.5","","Park, Hee Sun; Lee, Jae-Chang; Jung, Myung-Hwa; Lee, Yong-Min; Nam, Wonwoo; Hur, Nam Hwi","A mixed-valence copper chloride coordination polymer composed of one-dimensional cationic and anionic substructures","CrystEngComm","2022","","","","","10.1039/D2CE01370C","","","0.71073","MoKα","","0.0475","0.0435","","","0.0954","0.0973","","","","","","1.101","","","","has coordinates","279551","2022-11-24","23:37:13",""
"7245911","14.0559","0.0003","7.0932","0.0002","14.1687","0.0003","90","","90","","90","","1412.64","0.06","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C2 H7 Cl2 N5 -","- C2 H7 Cl2 N5 -","- C16 H56 Cl16 N40 -","8","1","","Park, Hee Sun; Lee, Jae-Chang; Jung, Myung-Hwa; Lee, Yong-Min; Nam, Wonwoo; Hur, Nam Hwi","A mixed-valence copper chloride coordination polymer composed of one-dimensional cationic and anionic substructures","CrystEngComm","2022","","","","","10.1039/D2CE01370C","","","0.71073","MoKα","","0.0453","0.0366","","","0.0809","0.0846","","","","","","1.15","","","","has coordinates","279551","2022-11-24","23:37:16",""
"7245912","19.883","0.004","7.0318","0.0014","25.673","0.005","90","","90","","90","","3589.4","1.2","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H6 N4 O S -","- C8 H6 N4 O S -","- C128 H96 N64 O16 S16 -","16","2","","Tavakoli-Quchani, Fatemeh; Salimi, Alireza; Notash, Behrouz; Samie, Ali; Garrison, Jered C.","Polymorphism in carboxamide compounds with high-Z′ crystal structures","CrystEngComm","2023","25","2","299","308","10.1039/D2CE01171A","","","0.71073","MoKα","","0.3369","0.0633","","","0.0536","0.0942","","","","","","0.704","","","","has coordinates","281438","2023-03-04","18:16:15",""
"7245913","9.8771","0.0005","5.1276","0.0002","17.5128","0.0011","90","","101.776","0.005","90","","868.28","0.08","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C8 H6 N4 O S -","- C8 H6 N4 O S -","- C32 H24 N16 O4 S4 -","4","2","","Tavakoli-Quchani, Fatemeh; Salimi, Alireza; Notash, Behrouz; Samie, Ali; Garrison, Jered C.","Polymorphism in carboxamide compounds with high-Z′ crystal structures","CrystEngComm","2023","25","2","299","308","10.1039/D2CE01171A","","x-ray","1.54184","CuKα","","0.0585","0.053","","","0.1424","0.1691","","","","","","1.104","","","","has coordinates","281438","2023-03-04","18:16:15",""
"7245914","19.421","0.004","11.05","0.002","8.1836","0.0016","90","","101.58","0.03","90","","1720.5","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 N4 O S -","- C8 H6 N4 O S -","- C64 H48 N32 O8 S8 -","8","2","","Tavakoli-Quchani, Fatemeh; Salimi, Alireza; Notash, Behrouz; Samie, Ali; Garrison, Jered C.","Polymorphism in carboxamide compounds with high-Z′ crystal structures","CrystEngComm","2023","25","2","299","308","10.1039/D2CE01171A","","","0.71073","MoKα","","0.2322","0.1225","","","0.1831","0.2179","","","","","","1.047","","","","has coordinates","281438","2023-03-04","18:16:15",""
"7245916","16.112","0.006","7.649","0.003","29.1","0.013","90","","101.562","0.005","90","","3514","2","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C16 H16 N3 O5 Zn -","- C13 H9 N2 O4 Zn -","- C104 H72 N16 O32 Zn8 -","8","1","","Gong, Yi; Chen, Fei; Beamish-Cook, Jethro; Elsegood, Mark R. J.; Derbyshire, Max; Rowe, Oliver; Redshaw, Carl","Pillared MOFs: structure and ring opening polymerization of cyclic esters","CrystEngComm","2023","25","2","267","283","10.1039/D2CE01317G","","","0.71073","MoKα","","0.0499","0.042","","","0.1039","0.1077","","","","","","1.094","","","","has coordinates,has disorder","281437","2023-03-04","18:16:06",""
"7245917","12.1692","0.0005","12.1692","0.0005","18.022","0.0011","90","","90","","120","","2311.31","0.19","170","2","170","","","","","","","","","6","P 63/m","-P 6c","176","","","","- C15 H38 Cl4 Gd7 N3 O32 -","- C15 H38 Cl4 Gd7 N3 O32 -","- C30 H76 Cl8 Gd14 N6 O64 -","2","0.166667","","Cao, Shouying; Fan, Chenpeng; Lu, Mengwen; Li, Meng; Zhou, Yuhang; Wang, Hongxia; Lin, Qingfang; Liang, Lili","Two heptanuclear cluster-based 3D metal–organic frameworks with a good magnetocaloric effect","CrystEngComm","2023","25","2","309","313","10.1039/D2CE01350A","","","0.71073","MoKα","","0.0415","0.0327","","","0.0746","0.0798","","","","","","1.073","","","","has coordinates,has disorder","281442","2023-03-04","18:17:10",""
"7245918","12.0761","0.0003","12.0761","0.0003","17.8609","0.0005","90","","90","","120","","2255.73","0.1","100","","100","","","","","","","","","6","P 63/m","-P 6c","176","","","","- C15 H38 Cl4 Dy7 N3 O32 -","- C15 H38 Cl4.003 Dy7 N3 O32 -","- C30 H76 Cl8.006 Dy14 N6 O64 -","2","0.166667","","Cao, Shouying; Fan, Chenpeng; Lu, Mengwen; Li, Meng; Zhou, Yuhang; Wang, Hongxia; Lin, Qingfang; Liang, Lili","Two heptanuclear cluster-based 3D metal–organic frameworks with a good magnetocaloric effect","CrystEngComm","2023","25","2","309","313","10.1039/D2CE01350A","","x-ray","0.71073","MoKα","","0.0427","0.0373","","","0.0889","0.092","","","","","","1.134","","","","has coordinates,has disorder","281442","2023-03-04","18:17:11",""
"7245922","10.7519","0.0002","15.0363","0.0002","17.358","0.0003","71.4304","0.0013","81.7596","0.0016","84.38","0.0014","2628.59","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H134 Dy8 N20 O46 -","- C78 H130 Dy8 N18 O48 -","- C78 H130 Dy8 N18 O48 -","1","0.5","","Li, Yun-Lan; Huang, Zhong-Ming; Wang, Hai-Ling; Zhu, Zhong-Hong; Liang, Fu-Pei; Zou, Hua-Hong","Double butterfly-shaped octanuclear dysprosium clusters: structure, magnetism and assembly mechanism","CrystEngComm","2023","25","2","225","232","10.1039/D2CE01506D","","","1.54184","CuKα","","0.0927","0.0857","","","0.224","0.2326","","","","","","1.029","","","","has coordinates","281443","2023-03-04","18:17:21",""
"7245923","14.1647","0.0004","14.3993","0.0003","16.7338","0.0004","82.531","0.002","75.268","0.002","82.046","0.002","3253.05","0.14","99.99","0.1","99.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C92 H158.39 Dy8 N18 O52 -","- C96 H170 Dy8 N16 O52 -","- C96 H170 Dy8 N16 O52 -","1","0.5","","Li, Yun-Lan; Huang, Zhong-Ming; Wang, Hai-Ling; Zhu, Zhong-Hong; Liang, Fu-Pei; Zou, Hua-Hong","Double butterfly-shaped octanuclear dysprosium clusters: structure, magnetism and assembly mechanism","CrystEngComm","2023","25","2","225","232","10.1039/D2CE01506D","","x-ray","1.54184","CuKα","","0.1075","0.1024","","","0.2773","0.2811","","","","","","1.098","","","","has coordinates","281443","2023-03-04","18:17:22",""
"7245924","12.7245","0.0014","13.5981","0.0019","19.076","0.003","90","","104.107","0.004","90","","3201.2","0.8","296","2","296.15","","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C23 H16 Cd N7 O5 -","- C23 H16 Cd N7 O5 -","- C92 H64 Cd4 N28 O20 -","4","0.5","","Zhang, Zhen-Wei; Hu, Hui; Wang, Ming-Zhen; Zhang, Qing; Zhou, Wen-Feng; Zhang, Yan-Kai; Yang, Xin-Yi; Liu, Xue-Ying; Zhang, Yong-Zheng; Geng, Longlong; Liu, Zhong-Min; Zhang, Da-Shuai; Zhuang, Shujuan; Wei, Rong-Min; Zhang, Xiuling","Acid-directed synthesis of three Cd-based metal–organic frameworks with luminescence and catalytic CO2 transformation properties","CrystEngComm","2022","","","","","10.1039/D2CE01327D","","","0.71073","MoKα","","0.0976","0.0759","","","0.1927","0.2115","","","","","","1.005","","","","has coordinates,has disorder","279631","2022-11-29","23:35:37",""
"7245925","12.933","0.002","13.25","0.002","13.77","0.002","78.372","0.003","63.205","0.003","73.101","0.003","2008.5","0.5","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C64 H46 Cd3 N12 O14 -","- C64 H46 Cd3 N12 O14 -","- C64 H46 Cd3 N12 O14 -","1","0.5","","Zhang, Zhen-Wei; Hu, Hui; Wang, Ming-Zhen; Zhang, Qing; Zhou, Wen-Feng; Zhang, Yan-Kai; Yang, Xin-Yi; Liu, Xue-Ying; Zhang, Yong-Zheng; Geng, Longlong; Liu, Zhong-Min; Zhang, Da-Shuai; Zhuang, Shujuan; Wei, Rong-Min; Zhang, Xiuling","Acid-directed synthesis of three Cd-based metal–organic frameworks with luminescence and catalytic CO2 transformation properties","CrystEngComm","2022","","","","","10.1039/D2CE01327D","","","0.71073","MoKα","","0.0606","0.0481","","","0.1366","0.147","","","","","","1.047","","","","has coordinates","279631","2022-11-29","23:35:37",""
"7245926","17.729","0.002","21.126","0.003","21.855","0.003","90","","90","","90","","8185.6","1.9","273","2","273.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C83 H69 Cd4 N6 O25 -","- C83 H69 Cd4 N6 O25 -","- C332 H276 Cd16 N24 O100 -","4","0.5","","Zhang, Zhen-Wei; Hu, Hui; Wang, Ming-Zhen; Zhang, Qing; Zhou, Wen-Feng; Zhang, Yan-Kai; Yang, Xin-Yi; Liu, Xue-Ying; Zhang, Yong-Zheng; Geng, Longlong; Liu, Zhong-Min; Zhang, Da-Shuai; Zhuang, Shujuan; Wei, Rong-Min; Zhang, Xiuling","Acid-directed synthesis of three Cd-based metal–organic frameworks with luminescence and catalytic CO2 transformation properties","CrystEngComm","2022","","","","","10.1039/D2CE01327D","","","0.71073","MoKα","","0.0814","0.052","","","0.1352","0.1555","","","","","","1.026","","","","has coordinates,has disorder","279631","2022-11-29","23:35:37",""
"7245927","12.2932","0.0006","13.6174","0.0006","16.6873","0.0008","110.386","0.002","93.646","0.002","100.428","0.002","2550.8","0.2","193","2","192.98","","","","","","","","","5","P -1","-P 1","2","","","","- C80 Cu4 F48 N6 O24 -","- C80 Cu4 F48 N6 O24 -","- C80 Cu4 F48 N6 O24 -","1","0.5","","Zhu, Mei; Ma, Shuqi; Dong, Huiyang; Zhong, Qing; Liu, Yi","Slow magnetic relaxation and selective luminescent probe in a 2p–3d–4f heterotrispin chain","CrystEngComm","2023","25","3","403","416","10.1039/D2CE01200F","","","0.71073","MoKα","","0.1306","0.0908","","","0.2768","0.3032","","","","","","1.051","","","","has coordinates","281461","2023-03-04","18:22:00",""
"7245928","11.5153","0.0004","13.8164","0.0005","15.7733","0.0006","93.479","0.002","101.463","0.002","106.683","0.002","2337.35","0.15","173","2","172.97","","","","","","","","","6","P -1","-P 1","2","","","","- C70 H54 Cu3 F36 N6 O20 -","- C70 H54 Cu3 F36 N6 O20 -","- C70 H54 Cu3 F36 N6 O20 -","1","0.5","","Zhu, Mei; Ma, Shuqi; Dong, Huiyang; Zhong, Qing; Liu, Yi","Slow magnetic relaxation and selective luminescent probe in a 2p–3d–4f heterotrispin chain","CrystEngComm","2023","25","3","403","416","10.1039/D2CE01200F","","","0.71073","MoKα","","0.0958","0.0776","","","0.218","0.2308","","","","","","1.042","","","","has coordinates,has disorder","281461","2023-03-04","18:22:00",""
"7245929","18.0904","0.001","19.5106","0.0011","23.1862","0.0013","90","","100.466","0.003","90","","8047.5","0.8","173","2","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C65 H53 Cu Dy F30 N6 O18 -","- C65 H53 Cu Dy F30 N6 O18 -","- C260 H212 Cu4 Dy4 F120 N24 O72 -","4","1","","Zhu, Mei; Ma, Shuqi; Dong, Huiyang; Zhong, Qing; Liu, Yi","Slow magnetic relaxation and selective luminescent probe in a 2p–3d–4f heterotrispin chain","CrystEngComm","2023","25","3","403","416","10.1039/D2CE01200F","","","0.71073","MoKα","","0.1255","0.0815","","","0.2432","0.273","","","","","","1.043","","","","has coordinates","281461","2023-03-04","18:22:00",""
"7245930","18.073","0.0014","19.5641","0.0015","23.334","0.002","90","","100.406","0.002","90","","8114.8","1.1","296","2","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C65 H53 Cu F30 N6 O18 Tb -","- C65 H53 Cu F30 N6 O18 Tb -","- C260 H212 Cu4 F120 N24 O72 Tb4 -","4","1","","Zhu, Mei; Ma, Shuqi; Dong, Huiyang; Zhong, Qing; Liu, Yi","Slow magnetic relaxation and selective luminescent probe in a 2p–3d–4f heterotrispin chain","CrystEngComm","2023","25","3","403","416","10.1039/D2CE01200F","","","0.71073","MoKα","","0.1524","0.07","","","0.1622","0.2042","","","","","","1.018","","","","has coordinates","281461","2023-03-04","18:22:00",""
"7245931","18.0555","0.0015","19.5223","0.0016","23.2514","0.0017","90","","100.561","0.004","90","","8056.9","1.1","173","2","173.01","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C65 H52 Cu F30 Gd N6 O18 -","- C65 H52 Cu F30 Gd N6 O18 -","- C260 H208 Cu4 F120 Gd4 N24 O72 -","4","1","","Zhu, Mei; Ma, Shuqi; Dong, Huiyang; Zhong, Qing; Liu, Yi","Slow magnetic relaxation and selective luminescent probe in a 2p–3d–4f heterotrispin chain","CrystEngComm","2023","25","3","403","416","10.1039/D2CE01200F","","","0.71073","MoKα","","0.1321","0.0785","","","0.2196","0.2555","","","","","","1.06","","","","has coordinates,has disorder","281461","2023-03-04","18:22:00",""
"7245932","18.0246","0.0007","19.5088","0.0008","23.2859","0.001","90","","99.972","0.002","90","","8064.5","0.6","173","2","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C65 H50 Cu F30 Ho N6 O18 -","- C65 H50 Cu F30 Ho N6 O18 -","- C260 H200 Cu4 F120 Ho4 N24 O72 -","4","1","","Zhu, Mei; Ma, Shuqi; Dong, Huiyang; Zhong, Qing; Liu, Yi","Slow magnetic relaxation and selective luminescent probe in a 2p–3d–4f heterotrispin chain","CrystEngComm","2023","25","3","403","416","10.1039/D2CE01200F","","","0.71073","MoKα","","0.0911","0.063","","","0.1861","0.2007","","","","","","1.049","","","","has coordinates","281461","2023-03-04","18:22:00",""
"7245936","9.4105","0.0014","9.5147","0.0014","9.8831","0.0015","106.078","0.002","94.529","0.002","92.03","0.002","846.1","0.2","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C22 H14 Eu2 F4 N2 O10 S4 -","- C22 H14 Eu2 F4 N2 O10 S4 -","- C22 H14 Eu2 F4 N2 O10 S4 -","1","0.5","","Liu, Zhiqing; Wu, Ying; Zhong, Yuan-Hui; Chung, Lai-Hon; Liao, Wei-Ming; Yang, Xianghua; He, Jun","Elucidating phase transformation of Eu-based metal organic framework with intermediate isolation and theoretical calculations","CrystEngComm","2023","25","3","347","351","10.1039/D2CE01466A","","","0.71073","MoKα","","0.027","0.0254","","","0.065","0.0658","","","","","","1.042","","","","has coordinates","281458","2023-03-04","18:21:09",""
"7245937","16.6143","0.0005","10.5019","0.0003","8.8282","0.0003","90","","103.725","0.004","90","","1496.38","0.08","240.01","0.1","240.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H18 F2 N4 O5 S2 -","- C8 H18 F2 N4 O5 S2 -","- C32 H72 F8 N16 O20 S8 -","4","1","","Liu, Zhiqing; Wu, Ying; Zhong, Yuan-Hui; Chung, Lai-Hon; Liao, Wei-Ming; Yang, Xianghua; He, Jun","Elucidating phase transformation of Eu-based metal organic framework with intermediate isolation and theoretical calculations","CrystEngComm","2023","25","3","347","351","10.1039/D2CE01466A","","x-ray","0.71073","MoKα","","0.0354","0.0306","","","0.0802","0.0841","","","","","","1.068","","","","has coordinates","281458","2023-03-04","18:21:09",""
"7245938","6.6346","0.0004","13.3837","0.0008","15.6515","0.0009","88.032","0.002","86.315","0.002","79.276","0.003","1362.33","0.14","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H4 N4 S5 -","- C10 H4 N4 S5 -","- C40 H16 N16 S20 -","4","2","","Chulanova, Elena A.; Radiush, Ekaterina A.; Balmohammadi, Yaser; Beckmann, Jens; Grabowsky, Simon; Zibarev, Andrey V.","New charge-transfer complexes of 1,2,5-chalcogenadiazoles with tetrathiafulvalenes","CrystEngComm","2023","25","3","391","402","10.1039/D2CE01385A","","","0.71073","MoKα","","0.0827","0.0579","","","0.144","0.1524","","","","","","1.096","","","","has coordinates","281462","2023-03-04","18:22:18",""
"7245939","7.5481","0.0002","7.7702","0.0002","12.5117","0.0003","74.645","0.001","85.362","0.002","69.681","0.001","663.54","0.03","100","2","100.01","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H8 N8 S8 Te2 -","- C18 H8 N8 S8 Te2 -","- C18 H8 N8 S8 Te2 -","1","0.5","","Chulanova, Elena A.; Radiush, Ekaterina A.; Balmohammadi, Yaser; Beckmann, Jens; Grabowsky, Simon; Zibarev, Andrey V.","New charge-transfer complexes of 1,2,5-chalcogenadiazoles with tetrathiafulvalenes","CrystEngComm","2023","25","3","391","402","10.1039/D2CE01385A","","","0.71073","MoKα","","0.0248","0.0195","","","0.0402","0.0417","","","","","","1.102","","","","has coordinates","281462","2023-03-04","18:22:18",""
"7245940","9.8502","0.0005","10.6342","0.0005","14.8943","0.0007","90","","103.318","0.002","90","","1518.2","0.13","100","","100","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H4 F4 N2 S5 -","- C12 H4 F4 N2 S5 -","- C48 H16 F16 N8 S20 -","4","1","","Chulanova, Elena A.; Radiush, Ekaterina A.; Balmohammadi, Yaser; Beckmann, Jens; Grabowsky, Simon; Zibarev, Andrey V.","New charge-transfer complexes of 1,2,5-chalcogenadiazoles with tetrathiafulvalenes","CrystEngComm","2023","25","3","391","402","10.1039/D2CE01385A","","","0.71073","MoKα","","0.0543","0.0352","","","0.0637","0.0696","","","","","","1.038","","","","has coordinates","281462","2023-03-04","18:22:18",""
"7245941","11.0656","0.0004","8.8374","0.0003","12.0606","0.0004","90","","104.261","0.002","90","","1143.07","0.07","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H6 N4 S3 -","- C11 H6 N4 S3 -","- C44 H24 N16 S12 -","4","1","","Chulanova, Elena A.; Radiush, Ekaterina A.; Balmohammadi, Yaser; Beckmann, Jens; Grabowsky, Simon; Zibarev, Andrey V.","New charge-transfer complexes of 1,2,5-chalcogenadiazoles with tetrathiafulvalenes","CrystEngComm","2023","25","3","391","402","10.1039/D2CE01385A","","","0.71073","MoKα","","0.0689","0.0495","","","0.1171","0.1254","","","","","","1.083","","","","has coordinates","281462","2023-03-04","18:22:18",""
"7245942","7.3298","0.0002","7.8942","0.0003","26.3901","0.0009","95.969","0.001","92.984","0.001","90.116","0.001","1516.63","0.09","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H6 N12 S6 Se3 -","- C21 H6 N12 S6 Se3 -","- C42 H12 N24 S12 Se6 -","2","1","","Chulanova, Elena A.; Radiush, Ekaterina A.; Balmohammadi, Yaser; Beckmann, Jens; Grabowsky, Simon; Zibarev, Andrey V.","New charge-transfer complexes of 1,2,5-chalcogenadiazoles with tetrathiafulvalenes","CrystEngComm","2023","25","3","391","402","10.1039/D2CE01385A","","","0.71073","MoKα","","0.0644","0.0371","","","0.0545","0.0595","","","","","","1.044","","","","has coordinates","281462","2023-03-04","18:22:18",""
"7245945","8.2636","0.0017","13.032","0.003","14.403","0.003","83.04","0.03","83.82","0.03","89.68","0.03","1530.7","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H20 Cl2 Co N8 O4 -","- C36 H20 Cl2 Co N8 O4 -","- C72 H40 Cl4 Co2 N16 O8 -","2","1","","Yin, Jia-Ling; Yin, Meng-Ru; Yong, Guo-Ping","From two-dimensional networks to three-dimensional metal–organic frameworks mediated by solvent ratio: luminescence and gas adsorption properties","CrystEngComm","2023","25","4","683","689","10.1039/D2CE01472F","","","0.71073","MoKα","","0.1697","0.1306","","","0.3517","0.3813","","","","","","1.094","","","","has coordinates","281435","2023-03-04","18:15:37",""
"7245946","8.7689","0.0003","14.4511","0.0003","15.1302","0.0005","85.962","0.002","88.842","0.002","82.075","0.002","1894.17","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H48 Cl4 Co3 N18 O20 -","- C72 H48 Cl4 Co3 N18 O20 -","- C72 H48 Cl4 Co3 N18 O20 -","1","0.5","","Yin, Jia-Ling; Yin, Meng-Ru; Yong, Guo-Ping","From two-dimensional networks to three-dimensional metal–organic frameworks mediated by solvent ratio: luminescence and gas adsorption properties","CrystEngComm","2023","25","4","683","689","10.1039/D2CE01472F","","","1.54184","CuKα","","0.0681","0.0648","","","0.2003","0.2055","","","","","","1.093","","","","has coordinates","281435","2023-03-04","18:15:37",""
"7245947","19.52525","0.00015","19.52525","0.00015","28.034","0.0002","90","","90","","120","","9255.69","0.12","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C18 H12 Cl Co N5 O6 -","- C18 H12 Cl Co N5 O6 -","- C324 H216 Cl18 Co18 N90 O108 -","18","1","","Yin, Jia-Ling; Yin, Meng-Ru; Yong, Guo-Ping","From two-dimensional networks to three-dimensional metal–organic frameworks mediated by solvent ratio: luminescence and gas adsorption properties","CrystEngComm","2023","25","4","683","689","10.1039/D2CE01472F","","","1.54184","CuKα","","0.044","0.0427","","","0.1427","0.1447","","","","","","1.105","","","","has coordinates","281435","2023-03-04","18:15:37",""
"7245949","29.9967","0.0004","17.1308","0.0002","14.7811","0.0002","90","","90","","90","","7595.53","0.17","100","0.14","100","0.14","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C30 H28 N4 O3 Zn1.5 -","- C30 H28 N4 O3 Zn1.5 -","- C240 H224 N32 O24 Zn12 -","8","1","","Wang, Xue-Zhi; Zhou, Chuang-Wei; Wang, Bei; Lai, Ya-Liang; Lian, Zhao-Xia; Liu, Yi-Tong; Li, Yan Yan; Zhou, Xiao-Ping","Chiral two-dimensional metal–organic frameworks based on Zn(salen) ligands: subcomponent self-assembly and circularly polarised luminescence","CrystEngComm","2023","25","3","484","489","10.1039/D2CE01530G","","","1.54184","CuKα","","0.0571","0.0518","","","0.1471","0.1504","","","","","","1.088","","","","has coordinates","281465","2023-03-04","18:23:02",""
"7245950","14.7259","0.0002","17.3191","0.0002","30.0077","0.0004","90","","90","","90","","7653.14","0.17","99.98","0.12","99.98","0.12","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C30 H28 N4 O3 Zn1.5 -","- C30 H28 N4 O3 Zn1.5 -","- C240 H224 N32 O24 Zn12 -","8","1","","Wang, Xue-Zhi; Zhou, Chuang-Wei; Wang, Bei; Lai, Ya-Liang; Lian, Zhao-Xia; Liu, Yi-Tong; Li, Yan Yan; Zhou, Xiao-Ping","Chiral two-dimensional metal–organic frameworks based on Zn(salen) ligands: subcomponent self-assembly and circularly polarised luminescence","CrystEngComm","2023","25","3","484","489","10.1039/D2CE01530G","","x-ray","1.54178","CuKα","","0.0443","0.0426","","","0.1232","0.1251","","","","","","1.049","","","","has coordinates","281465","2023-03-04","18:23:02",""
"7245951","9.089","0.003","11.287","0.003","13.926","0.004","90","","90","","90","","1428.6","0.7","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H23 N5 S -","- C10 H23 N5 S -","- C40 H92 N20 S4 -","4","1","","Renier, Olivier; Bousrez, Guillaume; Smetana, Volodymyr; Mudring, Anja-Verena; Rogers, Robin D.","Investigation of the role of hydrogen bonding in ionic liquid-like salts with both N- and S-soft donors","CrystEngComm","2023","25","4","530","540","10.1039/D2CE00961G","","","1.54178","CuKα","","0.0531","0.0441","","","0.1011","0.1061","","","","","","1.082","","","","has coordinates","281436","2023-03-04","18:15:58",""
"7245952","9.1606","0.0016","17.221","0.003","21.778","0.004","90","","90","","90","","3435.6","1.1","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H25 N5 S -","- C15 H25 N5 S -","- C120 H200 N40 S8 -","8","1","","Renier, Olivier; Bousrez, Guillaume; Smetana, Volodymyr; Mudring, Anja-Verena; Rogers, Robin D.","Investigation of the role of hydrogen bonding in ionic liquid-like salts with both N- and S-soft donors","CrystEngComm","2023","25","4","530","540","10.1039/D2CE00961G","","","1.54178","CuKα","","0.0644","0.0584","","","0.1515","0.1574","","","","","","1.053","","","","has coordinates","281436","2023-03-04","18:15:58",""
"7245953","10.9568","0.0006","13.7361","0.0007","16.5427","0.0008","90","","90","","90","","2489.7","0.2","100","2","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H19 N3 S2 -","- C9 H19 N3 S2 -","- C72 H152 N24 S16 -","8","1","","Renier, Olivier; Bousrez, Guillaume; Smetana, Volodymyr; Mudring, Anja-Verena; Rogers, Robin D.","Investigation of the role of hydrogen bonding in ionic liquid-like salts with both N- and S-soft donors","CrystEngComm","2023","25","4","530","540","10.1039/D2CE00961G","","","0.71073","MoKα","","0.0341","0.03","","","0.0637","0.0652","","","","","","1.153","","","","has coordinates","281436","2023-03-04","18:15:58",""
"7245954","17.8848","0.0014","6.9574","0.0004","23.625","0.0017","90","","90","","90","","2939.7","0.4","100","2","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C11 H23.23 N3 S2 -","- C11 H23.2315 N3 S2 -","- C88 H185.852 N24 S16 -","8","2","","Renier, Olivier; Bousrez, Guillaume; Smetana, Volodymyr; Mudring, Anja-Verena; Rogers, Robin D.","Investigation of the role of hydrogen bonding in ionic liquid-like salts with both N- and S-soft donors","CrystEngComm","2023","25","4","530","540","10.1039/D2CE00961G","","","0.71073","MoKα","","0.078","0.0589","","","0.1132","0.1276","","","","","","1.097","","","","has coordinates,has disorder","281436","2023-03-04","18:15:58",""
"7245955","9.0734","0.0009","13.2194","0.0013","13.1558","0.0014","90","","107.249","0.004","90","","1507","0.3","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H21 N5 S -","- C13 H21 N5 S -","- C52 H84 N20 S4 -","4","1","","Renier, Olivier; Bousrez, Guillaume; Smetana, Volodymyr; Mudring, Anja-Verena; Rogers, Robin D.","Investigation of the role of hydrogen bonding in ionic liquid-like salts with both N- and S-soft donors","CrystEngComm","2023","25","4","530","540","10.1039/D2CE00961G","","","0.71073","MoKα","","0.0823","0.0748","","","0.1862","0.1937","","","","","","1.035","","","","has coordinates","281436","2023-03-04","18:15:58",""
"7245959","15.5585","0.0002","16.1849","0.0003","7.6725","0.0001","90","","100.337","0.002","90","","1900.68","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 Cu N8 O -","- C21 H13 Cu N8 O -","- C84 H52 Cu4 N32 O4 -","4","1","","Tang, Ping; Xie, Xue-Xian; Huang, Zi-Yuan; Kuang, Zhi-Yang; Cai, Song-Liang; Zhang, Wei-Guang; Zheng, Sheng-Run","Two Cu(i) coordination polymers based on a new benzimidazolyl-tetrazolyl heterotopic ligand for visible-light-driven photocatalytic dye degradation","CrystEngComm","2023","25","3","417","424","10.1039/D2CE01497A","","","1.54184","CuKα","","0.0373","0.0333","","","0.0954","0.0971","","","","","","1.035","","","","has coordinates","281460","2023-03-04","18:21:33",""
"7245960","10.6532","0.0005","16.4768","0.0008","13.9291","0.0007","90","","102.397","0.002","90","","2388","0.2","298","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 Cu N9 O -","- C24 H20 Cu N9 O -","- C96 H80 Cu4 N36 O4 -","4","1","","Tang, Ping; Xie, Xue-Xian; Huang, Zi-Yuan; Kuang, Zhi-Yang; Cai, Song-Liang; Zhang, Wei-Guang; Zheng, Sheng-Run","Two Cu(i) coordination polymers based on a new benzimidazolyl-tetrazolyl heterotopic ligand for visible-light-driven photocatalytic dye degradation","CrystEngComm","2023","25","3","417","424","10.1039/D2CE01497A","","","0.71073","MoKα","","0.1251","0.0627","","","0.1575","0.1822","","","","","","1.07","","","","has coordinates","281460","2023-03-04","18:21:33",""
"7245961","23.862","0.003","23.862","0.003","7.2102","0.0014","90","","90","","90","","4105.5","1.1","293","2","293","2","","","","","","","","6","I 4/m m m","-I 4 2","139","","","","- C2.25 H1.5 Cl0.06 Cu0.25 N O1.25 -","- C2.25 H1.5 Cl0.0625 Cu0.25 N O1.25 -","- C72 H48 Cl2 Cu8 N32 O40 -","32","1","","Chen, Di-Ming; Zhang, Xue-Jing","Enhancing the stability of metal–organic framework via ligand modification: scalable synthesis and high selectivity of CO2 sorption property","CrystEngComm","2023","25","3","467","472","10.1039/D2CE01496C","","","0.71073","MoKα","","0.0718","0.0663","","","0.1906","0.1986","","","","","","1.175","","","","has coordinates","281457","2023-03-04","18:21:01",""
"7245962","13.7089","0.0004","26.6171","0.0006","15.8127","0.0004","90","","90","","90","","5769.9","0.3","293","2","293","2","","","","","","","","5","P b a n :2","-P 2ab 2b","50","","","","- C20 H17 Cu2 N6.5 O6.5 -","- C20 H17 Cu2 N6.5 O6.5 -","- C160 H136 Cu16 N52 O52 -","8","1","","Chen, Di-Ming; Zhang, Xue-Jing","Enhancing the stability of metal–organic framework via ligand modification: scalable synthesis and high selectivity of CO2 sorption property","CrystEngComm","2023","25","3","467","472","10.1039/D2CE01496C","","","0.71073","MoKα","","0.062","0.055","","","0.155","0.1602","","","","","","1.069","","","","has coordinates","281457","2023-03-04","18:21:01",""
"7245963","26.3697","0.0017","13.479","0.0012","15.7382","0.0006","90","","90","","90","","5593.9","0.7","273","2","273.15","","","","","","","","","5","P b a n :2","-P 2ab 2b","50","","","","- C20 H16 Cu2 N6.5 O7.5 -","- C20 H16 Cu2 N6.5 O7.5 -","- C160 H128 Cu16 N52 O60 -","8","1","","Chen, Di-Ming; Zhang, Xue-Jing","Enhancing the stability of metal–organic framework via ligand modification: scalable synthesis and high selectivity of CO2 sorption property","CrystEngComm","2023","25","3","467","472","10.1039/D2CE01496C","","","0.71073","MoKα","","0.1414","0.1254","","","0.3314","0.3426","","","","","","1.148","","","","has coordinates,has disorder","281457","2023-03-04","18:21:01",""
"7245964","8.9457","0.0006","9.3395","0.0006","8.9601","0.0006","90","","92.48","0.002","90","","747.9","0.09","100","2","100.15","","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C7 H9 N3 O2 -","- C7 H9 N3 O2 -","- C28 H36 N12 O8 -","4","1","","García-Raso, Angel; Terrón, Angel; Fiol, Juan J.; López-Zafra, Adela; Picó, Gemma; Vázquez-López, Ezequiel M.; Barceló-Oliver, Miquel; Frontera, Antonio","Synthesis, structural characterization and DFT study of N-(pyrimidyl)-ω-amino acids/peptide: β-alanine, γ-aminobutyric acid, 5-aminovaleric acid, 6-aminohexanoic acid and glycylglycine","CrystEngComm","2023","25","2","233","244","10.1039/D2CE01293F","","","0.71073","MoKα","","0.0593","0.0554","","","0.1487","0.1524","","","","","","1.049","","","","has coordinates","281439","2023-03-04","18:16:43",""
"7245965","6.9655","0.0003","9.4546","0.0005","14.4579","0.0007","90","","90.205","0.002","90","","952.13","0.08","100","2","100.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H13 N3 O2 -","- C9 H13 N3 O2 -","- C36 H52 N12 O8 -","4","1","","García-Raso, Angel; Terrón, Angel; Fiol, Juan J.; López-Zafra, Adela; Picó, Gemma; Vázquez-López, Ezequiel M.; Barceló-Oliver, Miquel; Frontera, Antonio","Synthesis, structural characterization and DFT study of N-(pyrimidyl)-ω-amino acids/peptide: β-alanine, γ-aminobutyric acid, 5-aminovaleric acid, 6-aminohexanoic acid and glycylglycine","CrystEngComm","2023","25","2","233","244","10.1039/D2CE01293F","","","0.71073","MoKα","","0.0494","0.0417","","","0.0954","0.099","","","","","","1.075","","","","has coordinates","281439","2023-03-04","18:16:43",""
"7245966","9.828","0.001","14.0136","0.0014","15.9826","0.0016","101.543","0.003","96.517","0.003","94.398","0.002","2131.6","0.4","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C8 H12 N4 O5 -","- C8 H12 N4 O5 -","- C64 H96 N32 O40 -","8","4","","García-Raso, Angel; Terrón, Angel; Fiol, Juan J.; López-Zafra, Adela; Picó, Gemma; Vázquez-López, Ezequiel M.; Barceló-Oliver, Miquel; Frontera, Antonio","Synthesis, structural characterization and DFT study of N-(pyrimidyl)-ω-amino acids/peptide: β-alanine, γ-aminobutyric acid, 5-aminovaleric acid, 6-aminohexanoic acid and glycylglycine","CrystEngComm","2023","25","2","233","244","10.1039/D2CE01293F","","","1.54178","CuKα","","0.0547","0.0535","","","0.1558","0.1572","","","","","","1.069","","","","has coordinates","281439","2023-03-04","18:16:43",""
"7245967","6.7614","0.0003","17.1948","0.0007","9.2263","0.0004","90","","102.643","0.002","90","","1046.65","0.08","173","2","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H15 N3 O2 -","- C10 H15 N3 O2 -","- C40 H60 N12 O8 -","4","1","","García-Raso, Angel; Terrón, Angel; Fiol, Juan J.; López-Zafra, Adela; Picó, Gemma; Vázquez-López, Ezequiel M.; Barceló-Oliver, Miquel; Frontera, Antonio","Synthesis, structural characterization and DFT study of N-(pyrimidyl)-ω-amino acids/peptide: β-alanine, γ-aminobutyric acid, 5-aminovaleric acid, 6-aminohexanoic acid and glycylglycine","CrystEngComm","2023","25","2","233","244","10.1039/D2CE01293F","","","0.71073","MoKα","","0.043","0.0369","","","0.0964","0.1001","","","","","","1.048","","","","has coordinates","281439","2023-03-04","18:16:43",""
"7245968","8.1649","0.0007","40.876","0.003","10.4997","0.0008","90","","92.5","0.002","90","","3500.9","0.5","100","2","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 N3 O2 -","- C8 H11 N3 O2 -","- C128 H176 N48 O32 -","16","4","","García-Raso, Angel; Terrón, Angel; Fiol, Juan J.; López-Zafra, Adela; Picó, Gemma; Vázquez-López, Ezequiel M.; Barceló-Oliver, Miquel; Frontera, Antonio","Synthesis, structural characterization and DFT study of N-(pyrimidyl)-ω-amino acids/peptide: β-alanine, γ-aminobutyric acid, 5-aminovaleric acid, 6-aminohexanoic acid and glycylglycine","CrystEngComm","2023","25","2","233","244","10.1039/D2CE01293F","","","0.71073","MoKα","","0.0652","0.0416","","","0.0896","0.0994","","","","","","1.02","","","","has coordinates","281439","2023-03-04","18:16:43",""
"7245969","9.9111","0.0009","10.2045","0.0009","15.5393","0.0014","81.938","0.004","74.159","0.004","62.779","0.003","1344.3","0.2","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H18 N4 O6 -","- C10 H18 N4 O6 -","- C40 H72 N16 O24 -","4","2","","García-Raso, Angel; Terrón, Angel; Fiol, Juan J.; López-Zafra, Adela; Picó, Gemma; Vázquez-López, Ezequiel M.; Barceló-Oliver, Miquel; Frontera, Antonio","Synthesis, structural characterization and DFT study of N-(pyrimidyl)-ω-amino acids/peptide: β-alanine, γ-aminobutyric acid, 5-aminovaleric acid, 6-aminohexanoic acid and glycylglycine","CrystEngComm","2023","25","2","233","244","10.1039/D2CE01293F","","","1.54178","CuKα","","0.0367","0.0362","","","0.0996","0.1001","","","","","","1.076","","","","has coordinates","281439","2023-03-04","18:16:43",""
"7245970","4.6981","0.0002","14.0421","0.0006","14.3987","0.0008","90","","99.168","0.002","90","","937.76","0.08","100","2","100.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H10 N4 O3 -","- C8 H10 N4 O3 -","- C32 H40 N16 O12 -","4","1","","García-Raso, Angel; Terrón, Angel; Fiol, Juan J.; López-Zafra, Adela; Picó, Gemma; Vázquez-López, Ezequiel M.; Barceló-Oliver, Miquel; Frontera, Antonio","Synthesis, structural characterization and DFT study of N-(pyrimidyl)-ω-amino acids/peptide: β-alanine, γ-aminobutyric acid, 5-aminovaleric acid, 6-aminohexanoic acid and glycylglycine","CrystEngComm","2023","25","2","233","244","10.1039/D2CE01293F","","","0.71073","MoKα","","0.0436","0.0363","","","0.0889","0.093","","","","","","1.0525","","","","has coordinates","281439","2023-03-04","18:16:43",""
"7245971","9.3661","0.0003","36.0462","0.0012","7.5101","0.0003","90","","109.84","0.001","90","","2385.01","0.15","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H14 N4 O5 -","- C9 H14 N4 O5 -","- C72 H112 N32 O40 -","8","2","","García-Raso, Angel; Terrón, Angel; Fiol, Juan J.; López-Zafra, Adela; Picó, Gemma; Vázquez-López, Ezequiel M.; Barceló-Oliver, Miquel; Frontera, Antonio","Synthesis, structural characterization and DFT study of N-(pyrimidyl)-ω-amino acids/peptide: β-alanine, γ-aminobutyric acid, 5-aminovaleric acid, 6-aminohexanoic acid and glycylglycine","CrystEngComm","2023","25","2","233","244","10.1039/D2CE01293F","","","1.54178","CuKα","","0.0621","0.0597","","","0.1507","0.1523","","","","","","1.0445","","","","has coordinates","281439","2023-03-04","18:16:43",""
"7245972","15.916","0.002","13.6511","0.0017","12.5195","0.0015","90","","107.201","0.004","90","","2598.5","0.6","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H24 N7 O3 S2 Zn -","- C25 H24 N7 O3 S2 Zn -","- C100 H96 N28 O12 S8 Zn4 -","4","0.5","","Debsharma, Kingshuk; Dey, Sunanda; Das, Dhananjoy; Halder, Satyajit; Ortega-Castro, Joaquin; Sarkar, Sarita; Dutta, Basudeb; Maity, Suvendu; Jana, Kuladip; Frontera, Antonio; Ray, Partha Pratim; Sinha, Chittaranjan","Designing of a Zn(ii)-isonicotinohydrazido thiophenyl based 2D coordination polymer: structure, augmented photoconductivity and superior biological activity","CrystEngComm","2023","25","1","162","172","10.1039/D2CE01128J","","","0.71073","MoKα","","0.066","0.0489","","","0.1249","0.1385","","","","","","1.066","","","","has coordinates,has disorder","281408","2023-03-04","18:08:39",""
"7245980","6.4885","0.0006","14.7897","0.0014","13.388","0.0012","90","","97.518","0.003","90","","1273.7","0.2","273","2","273","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C7 H12 Cl4 Fe N O -","- C7 H12 Cl4 Fe N O -","- C28 H48 Cl16 Fe4 N4 O4 -","4","1","","González-Izquierdo, Palmerina; de Pedro, Imanol; Cañadillas-Delgado, Laura; Beobide, Garikoitz; Vallcorba, Oriol; Sánchez-Andújar, Manuel; Fernández-Díaz, María Teresa; Fernández, Jesús Rodríguez; Fabelo, Oscar","Tailoring the physical properties of hybrid magnetic quinuclidine-based plastic compounds via weak interactions","CrystEngComm","2023","25","4","579","592","10.1039/D2CE01549H","","","1.54178","CuKα","","0.0655","0.0524","","","0.1632","0.1773","","","","","","1.3","","","","has coordinates","281427","2023-03-04","18:13:16",""
"7245981","6.445","","14.509","","13.037","","90","","97.96","","90","","1207.35","","296.15","","296.15","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C7 H12 Cl4 Fe N O -","- C7 H12 Cl4 Fe N O -","- C28 H48 Cl16 Fe4 N4 O4 -","4","1","","González-Izquierdo, Palmerina; de Pedro, Imanol; Cañadillas-Delgado, Laura; Beobide, Garikoitz; Vallcorba, Oriol; Sánchez-Andújar, Manuel; Fernández-Díaz, María Teresa; Fernández, Jesús Rodríguez; Fabelo, Oscar","Tailoring the physical properties of hybrid magnetic quinuclidine-based plastic compounds via weak interactions","CrystEngComm","2023","25","4","579","592","10.1039/D2CE01549H","","","1.45567","neutrons","","0.0422","0.0422","","","0.1011","0.1011","","","","","","1.293","","","","has coordinates","281427","2023-03-04","18:13:16",""
"7245982","6.4131","0.0001","14.5111","0.0002","13.5715","0.0002","90","","90.415","0.001","90","","1262.95","0.03","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C7 H13 Cl4 Fe N O1.5 -","- C7 H13 Cl4 Fe N O1.5 -","- C28 H52 Cl16 Fe4 N4 O6 -","4","1","","González-Izquierdo, Palmerina; de Pedro, Imanol; Cañadillas-Delgado, Laura; Beobide, Garikoitz; Vallcorba, Oriol; Sánchez-Andújar, Manuel; Fernández-Díaz, María Teresa; Fernández, Jesús Rodríguez; Fabelo, Oscar","Tailoring the physical properties of hybrid magnetic quinuclidine-based plastic compounds via weak interactions","CrystEngComm","2023","25","4","579","592","10.1039/D2CE01549H","","","0.71073","MoKα","","0.0238","0.0213","","","0.0467","0.0481","","","","","","1.051","","","","has coordinates","281427","2023-03-04","18:13:16",""
"7245990","15.6207","0.0007","11.8216","0.0005","17.4359","0.0008","90","","102.544","0.002","90","","3142.9","0.2","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H26 N4 O7 Zn -","- C38 H26 N4 O7 Zn -","- C152 H104 N16 O28 Zn4 -","4","1","","Fan, Chuanbin; Huang, Guimei; Xing, Zhiyong; Wang, Junli; Pang, Yaqin; Huang, Qingping; Huang, Shifu; Zong, Ziao; Guo, Feng","Three multi-responsive luminescent Zn-CPs for the detection of antibiotics/cations/anions in aqueous media","CrystEngComm","2023","25","4","593","600","10.1039/D2CE01507B","","","0.71073","MoKα","","0.11","0.0531","","","0.0856","0.109","","","","","","1.054","","","","has coordinates","281429","2023-03-04","18:14:03",""
"7245991","24.4085","0.0008","7.3774","0.0002","16.2629","0.0005","90","","91.409","0.001","90","","2927.6","0.15","170","","170","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C34 H26 N4 O6 Zn -","- C34 H26 N4 O6 Zn -","- C136 H104 N16 O24 Zn4 -","4","1","","Fan, Chuanbin; Huang, Guimei; Xing, Zhiyong; Wang, Junli; Pang, Yaqin; Huang, Qingping; Huang, Shifu; Zong, Ziao; Guo, Feng","Three multi-responsive luminescent Zn-CPs for the detection of antibiotics/cations/anions in aqueous media","CrystEngComm","2023","25","4","593","600","10.1039/D2CE01507B","","","0.71073","MoKα","","0.0681","0.0484","","","0.0977","0.1062","","","","","","1.138","","","","has coordinates","281429","2023-03-04","18:14:03",""
"7245992","15.2073","0.0006","15.9899","0.0006","17.3921","0.0007","115.193","0.001","101.925","0.001","92.73","0.001","3700.1","0.3","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C92 H60 N8 O14 Zn2 -","- C92 H60 N8 O14 Zn2 -","- C184 H120 N16 O28 Zn4 -","2","1","","Fan, Chuanbin; Huang, Guimei; Xing, Zhiyong; Wang, Junli; Pang, Yaqin; Huang, Qingping; Huang, Shifu; Zong, Ziao; Guo, Feng","Three multi-responsive luminescent Zn-CPs for the detection of antibiotics/cations/anions in aqueous media","CrystEngComm","2023","25","4","593","600","10.1039/D2CE01507B","","","0.71073","MoKα","","0.0977","0.0551","","","0.098","0.1188","","","","","","1.055","","","","has coordinates","281429","2023-03-04","18:14:03",""
"7245994","7.685","0.002","9.764","0.003","52.921","0.016","90","","90","","90","","3971","2","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C41 H56 N6 O4 -","- C41 H56 N6 O4 -","- C164 H224 N24 O16 -","4","1","","Tiwari, Shubhanshu Ranjan; Gopi, Shanmukha Prasad; Kallem, Divya Jyothi; Chaturvedi, Deepika; Voguri, Raja Sekhar; Ramakrishnan, Srividya; Dey, Archan; Pal, Sharmistha","Physicochemical and thermodynamic evaluation of ibrutinib cocrystal formation with a long-chain fatty acid","CrystEngComm","2023","25","4","601","613","10.1039/D2CE01216B","","","0.71073","MoKα","","0.107","0.0599","","","0.1209","0.1385","","","","","","1.041","","","","has coordinates","281434","2023-03-04","18:15:21",""
"7245995","7.8327","0.0011","8.7671","0.0013","10.3665","0.0015","109.953","0.006","105.723","0.006","95.799","0.007","629.2","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H7 Cl2 Cu N O4 -","- C11 H7 Cl2 Cu N O4 -","- C22 H14 Cl4 Cu2 N2 O8 -","2","1","","Naaz, Sanobar; Das, Pubali; Mukherjee, Souvik; Khan, Samim; Pramanik, Goutam; Ghosh, Prasanta; Frontera, Antonio; Ray, Partha Pratim; Mir, Mohammad Hedayetullah","Exploration of Cl⋯Cl and π⋯π stacking contacts along with the conductivity properties of a Cu-MOF featured with paddle-wheel SBUs","CrystEngComm","2023","25","5","813","821","10.1039/D2CE01331B","","","0.71073","MoKα","","0.0863","0.0841","","","0.2641","0.2653","","","","","","1.021","","","","has coordinates","281423","2023-03-04","18:12:37",""
"7245996","3.9181","0.0006","24.592","0.003","13.0589","0.0012","90","","96.386","0.011","90","","1250.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 N2 O2 -","- C16 H12 N2 O2 -","- C64 H48 N8 O8 -","4","1","","Li, Yuping; Tao, Yang; Zhoujin, Yunping; Zhao, Fang; Liang, Peng-Yu; Parkin, Sean; Li, Tonglei; Zhou, Pan-Pan; Long, Sihui","π–π stacking in the polymorphism of 2-(naphthalenylamino)-nicotinic acids and a comparison with their analogues","CrystEngComm","2023","25","3","432","443","10.1039/D2CE01233B","","x-ray","1.54184","CuKα","","0.0706","0.0497","","","0.1209","0.1407","","","","","","1.058","","","","has coordinates","281459","2023-03-04","18:21:21",""
"7245997","8.0931","0.0003","14.2729","0.0005","11.3085","0.0006","90","","94.304","0.004","90","","1302.58","0.1","293.23","0.1","293.23","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 N2 O2 -","- C16 H12 N2 O2 -","- C64 H48 N8 O8 -","4","1","","Li, Yuping; Tao, Yang; Zhoujin, Yunping; Zhao, Fang; Liang, Peng-Yu; Parkin, Sean; Li, Tonglei; Zhou, Pan-Pan; Long, Sihui","π–π stacking in the polymorphism of 2-(naphthalenylamino)-nicotinic acids and a comparison with their analogues","CrystEngComm","2023","25","3","432","443","10.1039/D2CE01233B","","x-ray","1.54184","CuKα","","0.0555","0.05","","","0.1432","0.1494","","","","","","1.057","","","","has coordinates","281459","2023-03-04","18:21:21",""
"7245998","7.4169","0.0002","14.166","0.003","11.8164","0.0003","90","","101.101","0.0011","90","","1218.3","0.3","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N2 O2 -","- C14 H14 N2 O2 -","- C56 H56 N8 O8 -","4","1","","Li, Yuping; Tao, Yang; Zhoujin, Yunping; Zhao, Fang; Liang, Peng-Yu; Parkin, Sean; Li, Tonglei; Zhou, Pan-Pan; Long, Sihui","π–π stacking in the polymorphism of 2-(naphthalenylamino)-nicotinic acids and a comparison with their analogues","CrystEngComm","2023","25","3","432","443","10.1039/D2CE01233B","","","0.71073","MoKα","","0.0444","0.0383","","","0.0978","0.102","","","","","","1.052","","","","has coordinates,has disorder","281459","2023-03-04","18:21:21",""
"7245999","7.4767","0.0012","10.7575","0.0017","17.909","0.003","75.646","0.014","83.673","0.013","79.935","0.014","1370.6","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H28 N4 O6 -","- C32 H28 N4 O6 -","- C64 H56 N8 O12 -","2","1","","Li, Yuping; Tao, Yang; Zhoujin, Yunping; Zhao, Fang; Liang, Peng-Yu; Parkin, Sean; Li, Tonglei; Zhou, Pan-Pan; Long, Sihui","π–π stacking in the polymorphism of 2-(naphthalenylamino)-nicotinic acids and a comparison with their analogues","CrystEngComm","2023","25","3","432","443","10.1039/D2CE01233B","","x-ray","1.54184","CuKα","","0.1069","0.0567","","","0.1323","0.174","","","","","","1.005","","","","has coordinates","281459","2023-03-04","18:21:21",""
"7246000","6.8139","0.0001","24.3841","0.0005","7.4421","0.0001","90","","93.896","0.002","90","","1233.65","0.04","300.42","0.1","300.42","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N2 O2 -","- C14 H14 N2 O2 -","- C56 H56 N8 O8 -","4","1","","Li, Yuping; Tao, Yang; Zhoujin, Yunping; Zhao, Fang; Liang, Peng-Yu; Parkin, Sean; Li, Tonglei; Zhou, Pan-Pan; Long, Sihui","π–π stacking in the polymorphism of 2-(naphthalenylamino)-nicotinic acids and a comparison with their analogues","CrystEngComm","2023","25","3","432","443","10.1039/D2CE01233B","","x-ray","1.54184","CuKα","","0.0438","0.0397","","","0.1167","0.1203","","","","","","1.096","","","","has coordinates","281459","2023-03-04","18:21:21",""
"7246001","19.3362","0.0012","10.0456","0.0006","14.15","0.0007","90","","107.503","0.006","90","","2621.3","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 N2 O2 -","- C16 H12 N2 O2 -","- C128 H96 N16 O16 -","8","1","","Li, Yuping; Tao, Yang; Zhoujin, Yunping; Zhao, Fang; Liang, Peng-Yu; Parkin, Sean; Li, Tonglei; Zhou, Pan-Pan; Long, Sihui","π–π stacking in the polymorphism of 2-(naphthalenylamino)-nicotinic acids and a comparison with their analogues","CrystEngComm","2023","25","3","432","443","10.1039/D2CE01233B","","","1.54184","CuKα","","0.0557","0.0433","","","0.1168","0.1316","","","","","","1.041","","","","has coordinates,has disorder","281459","2023-03-04","18:21:21",""
"7246005","40.3","0.006","40.3","0.006","5.176","0.001","90","","90","","120","","7280","2","220","2","220","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C120 H98 N12 O13 -","- C120 H98.0002 N12 O13 -","- C360 H294.001 N36 O39 -","3","0.166667","","Gayathri, Parthasarathy; Ravi, Sasikala; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Hexagon and network structured organic geometrical isomers with distinct intramolecular H-bonding and stimuli-induced self-reversible fluorescence switching","CrystEngComm","2023","25","3","460","466","10.1039/D2CE01361D","","","0.65","synchrotron","","0.071","0.0573","","","0.1746","0.1826","","","","","","1.144","","","","has coordinates,has disorder","281464","2023-03-04","18:22:51",""
"7246006","8.349","0.0017","16.722","0.003","11.913","0.002","90","","95.15","0.03","90","","1656.5","0.5","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 N2 O2 -","- C20 H16 N2 O2 -","- C80 H64 N8 O8 -","4","1","","Gayathri, Parthasarathy; Ravi, Sasikala; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Hexagon and network structured organic geometrical isomers with distinct intramolecular H-bonding and stimuli-induced self-reversible fluorescence switching","CrystEngComm","2023","25","3","460","466","10.1039/D2CE01361D","","","0.63","synchrotron","","0.0578","0.0545","","","0.1563","0.1594","","","","","","1.108","","","","has coordinates","281464","2023-03-04","18:22:51",""
"7246009","8.024","0.005","26.656","0.016","11.743","0.007","90","","107.018","0.009","90","","2402","3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H14 O13 Tb2 -","- C24 H14 O13 Tb2 -","- C96 H56 O52 Tb8 -","4","1","","Dazem, Cyrielle L. F.; Inge, A. Ken; Luneau, Dominique; Öhrström, Lars; Nenwa, Justin","Synthesis, structure and magnetic properties of two bis(oxalato)cuprate(ii) salts with pyridinium type counter ions","CrystEngComm","2023","25","10","1479","1485","10.1039/D2CE01513G","","","0.71073","MoKα","","0.1026","0.0865","","","0.166","0.174","","","","","","1.135","","","","has coordinates","282314","2023-04-04","10:08:22",""
"7246010","9.9148","","9.9148","","7.48","","90","","90","","120","","636.796","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","Pentalead Tris(phosphate(V)) Iodide","","- I O12 P3 Pb5 -","- I O12 P3 Pb5 -","- I2 O24 P6 Pb10 -","2","0.166667","","Dazem, Cyrielle L. F.; Inge, A. Ken; Luneau, Dominique; Öhrström, Lars; Nenwa, Justin","Synthesis, structure and magnetic properties of two bis(oxalato)cuprate(ii) salts with pyridinium type counter ions","CrystEngComm","2023","25","10","1479","1485","10.1039/D2CE01513G","","","","","","","","","","","","","","","","","","","","","has coordinates","282314","2023-04-04","10:08:22",""
"7246011","5.1171","0.0006","7.2429","0.0007","11.4209","0.0011","85.712","0.005","77.27","0.005","80.208","0.005","406.56","0.07","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H14 Cu N4 O10 -","- C14 H14 Cu N4 O10 -","- C14 H14 Cu N4 O10 -","1","0.5","","Dazem, Cyrielle L. F.; Inge, A. Ken; Luneau, Dominique; Öhrström, Lars; Nenwa, Justin","Synthesis, structure and magnetic properties of two bis(oxalato)cuprate(ii) salts with pyridinium type counter ions","CrystEngComm","2023","25","10","1479","1485","10.1039/D2CE01513G","","","0.71073","MoKα","","0.0551","0.0395","","","0.0848","0.0917","","","","","","1.006","","","","has coordinates","282314","2023-04-04","10:08:22",""
"7246012","5.0894","0.0003","7.1344","0.0003","11.405","0.0004","86.127","0.003","77.266","0.004","81.424","0.004","399.15","0.03","99.9","0.4","99.9","0.4","","","","","","","","5","P -1","-P 1","2","","","","- C7 H7 Cu0.5 N2 O5 -","- C7 H7 Cu0.5 N2 O5 -","- C14 H14 Cu N4 O10 -","2","1","","Dazem, Cyrielle L. F.; Inge, A. Ken; Luneau, Dominique; Öhrström, Lars; Nenwa, Justin","Synthesis, structure and magnetic properties of two bis(oxalato)cuprate(ii) salts with pyridinium type counter ions","CrystEngComm","2023","25","10","1479","1485","10.1039/D2CE01513G","","x-ray","1.54184","CuKα","","0.0393","0.0359","","","0.0975","0.099","","","","","","1.093","","","","has coordinates","282314","2023-04-04","10:08:22",""
"7246013","10.5484","0.0002","22.2344","0.0006","7.2264","0.00018","90","","102.125","0.002","90","","1657.05","0.07","100","0.2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 Cu N2 O8 -","- C17 H16 Cu N2 O8 -","- C68 H64 Cu4 N8 O32 -","4","1","","Dazem, Cyrielle L. F.; Inge, A. Ken; Luneau, Dominique; Öhrström, Lars; Nenwa, Justin","Synthesis, structure and magnetic properties of two bis(oxalato)cuprate(ii) salts with pyridinium type counter ions","CrystEngComm","2023","25","10","1479","1485","10.1039/D2CE01513G","","x-ray","1.54184","CuKα","","0.0287","0.026","","","0.0732","0.0745","","","","","","1.067","","","","has coordinates","282314","2023-04-04","10:08:22",""
"7246015","23.393","0.005","8.6036","0.0019","13.597","0.003","90","","107.497","0.007","90","","2610","1","296","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H28 N10 O6 Zn -","- C22 H28 N10 O6 Zn -","- C88 H112 N40 O24 Zn4 -","4","0.5","","Pramanik, Samit; Hossain, Anowar; Pathak, Sudipta; Ghosh Chowdhury, Sougata; Karmakar, Parimal; Frontera, Antonio; Mukhopadhyay, Subrata","Revealing the supramolecular features of two Zn(ii) complexes derived from a new hydrazone ligand: a combined crystallographic, theoretical and antibacterial study","CrystEngComm","2023","25","5","866","876","10.1039/D2CE01445A","","","0.71073","MoKα","","0.0573","0.0363","","","0.0842","0.088","","","","","","0.972","","","","has coordinates","281420","2023-03-04","18:11:31",""
"7246016","9.473","0.004","13.927","0.006","13.293","0.005","90","","105.063","0.005","90","","1693.5","1.2","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H14 Cl3 N5 O2 Zn -","- C11 H14 Cl3 N5 O2 Zn -","- C44 H56 Cl12 N20 O8 Zn4 -","4","1","","Pramanik, Samit; Hossain, Anowar; Pathak, Sudipta; Ghosh Chowdhury, Sougata; Karmakar, Parimal; Frontera, Antonio; Mukhopadhyay, Subrata","Revealing the supramolecular features of two Zn(ii) complexes derived from a new hydrazone ligand: a combined crystallographic, theoretical and antibacterial study","CrystEngComm","2023","25","5","866","876","10.1039/D2CE01445A","","","0.71073","MoKα","","0.0608","0.0346","","","0.0715","0.0804","","","","","","0.971","","","","has coordinates","281420","2023-03-04","18:11:31",""
"7246017","6.9649","0.0004","13.9228","0.0009","21.536","0.0014","106.716","0.002","91.562","0.002","103.885","0.002","1931.2","0.2","298","2","298","","","","","","","","","5","P -1","-P 1","2","","4-4","","- C33 H20 N2 O4 S6 -","- C33 H20 N2 O4 S6 -","- C66 H40 N4 O8 S12 -","2","1","","Zhang, Yu; Hu, Li-Yuan; Luo, Xu-Feng; Shen, Liangjun; Li, Zhong-Qiu; Ke, Si-Wen; Li, Xing; Xiao, Xunwen","A hybrid bonding strategy for tetrathiafulvalene-based hydrogen-bonded organic frameworks with electrical- and photo-conductivity","CrystEngComm","2023","25","4","508","512","10.1039/D2CE01614A","","","0.71073","MoKα","","0.1116","0.0777","","","0.2687","0.292","","","","","","1.114","","","","has coordinates","281432","2023-03-04","18:15:03",""
"7246018","6.261","0.0003","19.6413","0.0009","32.8415","0.0015","90","","94.938","0.001","90","","4023.7","0.3","273.15","","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3","","- C33 H20 N2 O4 S6 -","- C33 H20 N2 O4 S6 -","- C132 H80 N8 O16 S24 -","4","1","","Zhang, Yu; Hu, Li-Yuan; Luo, Xu-Feng; Shen, Liangjun; Li, Zhong-Qiu; Ke, Si-Wen; Li, Xing; Xiao, Xunwen","A hybrid bonding strategy for tetrathiafulvalene-based hydrogen-bonded organic frameworks with electrical- and photo-conductivity","CrystEngComm","2023","25","4","508","512","10.1039/D2CE01614A","","","0.71073","MoKα","","0.1548","0.1219","","","0.3874","0.4128","","","","","","1.65","","","","has coordinates","281432","2023-03-04","18:15:03",""
"7246019","6.1","0.002","6.259","0.002","15.42","0.002","85.66","0.002","80.031","0.002","74.466","0.002","558.4","0.3","143","2","143","2","","","","","","","","4","P -1","-P 1","2","pregabalin","3-(aminomethyl)-5-methylhexanoic acid","","- C8 H19 N O3 -","- C8 H19 N O3 -","- C16 H38 N2 O6 -","2","1","","Bosits, Miklós H.; Bereczki, Laura; Bombicz, Petra; Szalay, Zsófia; Pataki, Hajnalka; Demeter, Ádám","Design of diastereomeric salt resolution via multicomponent system characterization: a case study with hydrate formation","CrystEngComm","2023","25","4","641","652","10.1039/D2CE01490D","","","0.71073","MoKα","","0.1286","0.0921","","","0.2419","0.2678","","","","","","1.162","","","","has coordinates,has disorder","281428","2023-03-04","18:13:23",""
"7246020","18.40122","0.00019","17.9816","0.0002","22.503","0.0003","90","","103.67","0.0011","90","","7234.95","0.15","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N5 O4 -","- C19 H21 N5 O4 -","- C304 H336 N80 O64 -","16","4","","Tan, Sang Loon; Tan, Yee Seng; Bin Shahari, Muhammad Syafiq; Junaid, Ahmad; Dolzhenko, Anton V.; Tiekink, Edward R. T.","Ethanol- and heat-mediated phase change from a kinetic (Z′ = 4) polymorph to a thermodynamic (Z′ = 1) polymorph for an N2,6-diaryl-1,3,5-triazine-2,4-diamine","CrystEngComm","2023","25","5","798","812","10.1039/D2CE01548J","","","1.54184","CuKα","","0.0461","0.0384","","","0.0995","0.1053","","","","","","1.032","","","","has coordinates","281419","2023-03-04","18:11:21",""
"7246021","7.85094","0.00007","17.15939","0.00018","14.25371","0.00012","90","","101.586","0.0008","90","","1881.1","0.03","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 N5 O4 -","- C19 H21 N5 O4 -","- C76 H84 N20 O16 -","4","1","","Tan, Sang Loon; Tan, Yee Seng; Bin Shahari, Muhammad Syafiq; Junaid, Ahmad; Dolzhenko, Anton V.; Tiekink, Edward R. T.","Ethanol- and heat-mediated phase change from a kinetic (Z′ = 4) polymorph to a thermodynamic (Z′ = 1) polymorph for an N2,6-diaryl-1,3,5-triazine-2,4-diamine","CrystEngComm","2023","25","5","798","812","10.1039/D2CE01548J","","","1.54184","CuKα","","0.0362","0.0347","","","0.096","0.0976","","","","","","1.048","","","","has coordinates","281419","2023-03-04","18:11:21",""
"7246024","16.053","0.003","7.0422","0.0014","21.68","0.004","90","","107.705","0.003","90","","2334.8","0.8","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 Ag2 I3 N3 -","- C18 H20 Ag2 I3 N3 -","- C72 H80 Ag8 I12 N12 -","4","1","","Chen, Jing-Jing; Huang, Chang-Qi; Yi, Hong-Mei; Lv, Zhou-Lin; Wu, Wei; Zheng, Hui-Dong; Li, Hao-Hong","Tuning the photocurrent responsive and resistive switching performances of stilbazolium/iodoargentate hybrids by modulating the aggregation mode among chromophores","CrystEngComm","2023","25","4","632","640","10.1039/D2CE01609E","","","0.71073","MoKα","","0.0528","0.0382","","","0.0852","0.0917","","","","","","1.065","","","","has coordinates","281433","2023-03-04","18:15:13",""
"7246025","7.1992","0.0004","13.5373","0.0008","22.6977","0.0014","90","","90.181","0.001","90","","2212.1","0.2","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 Ag2 I3 N2 O -","- C17 H21 Ag2 I3 N2 O -","- C68 H84 Ag8 I12 N8 O4 -","4","1","","Chen, Jing-Jing; Huang, Chang-Qi; Yi, Hong-Mei; Lv, Zhou-Lin; Wu, Wei; Zheng, Hui-Dong; Li, Hao-Hong","Tuning the photocurrent responsive and resistive switching performances of stilbazolium/iodoargentate hybrids by modulating the aggregation mode among chromophores","CrystEngComm","2023","25","4","632","640","10.1039/D2CE01609E","","","0.71073","MoKα","","0.0473","0.0426","","","0.1131","0.1156","","","","","","1.18","","","","has coordinates,has disorder","281433","2023-03-04","18:15:13",""
"7246026","8.1248","0.0007","13.8287","0.0012","22.9897","0.0019","100.297","0.002","93.606","0.002","103.612","0.002","2455.1","0.4","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H46 Ag5 I7 N4 O4 -","- C36 H46 Ag5 I7 N4 O4 -","- C72 H92 Ag10 I14 N8 O8 -","2","1","","Chen, Jing-Jing; Huang, Chang-Qi; Yi, Hong-Mei; Lv, Zhou-Lin; Wu, Wei; Zheng, Hui-Dong; Li, Hao-Hong","Tuning the photocurrent responsive and resistive switching performances of stilbazolium/iodoargentate hybrids by modulating the aggregation mode among chromophores","CrystEngComm","2023","25","4","632","640","10.1039/D2CE01609E","","","0.71073","MoKα","","0.0561","0.0401","","","0.0902","0.0967","","","","","","1.058","","","","has coordinates,has disorder","281433","2023-03-04","18:15:13",""
"7246027","6.6663","0.0008","12.5943","0.0014","10.8361","0.0011","90","","91.856","0.01","90","","909.29","0.18","242.98","0.1","242.98","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H10 N2 O3 S -","- C7 H10 N2 O3 S -","- C28 H40 N8 O12 S4 -","4","1","","Yu, Zihong; You, Xiuli; Du, Wenqing; Peng, Ziqin; Guo, Wenjing; Wei, Zhenhong","The mechanism of two reversible phase transitions and dielectric anomalies in a single-component organic molecule 1-sulfo-4-dimethylamino-pyridinium","CrystEngComm","2023","25","5","822","827","10.1039/D2CE01521H","","x-ray","1.54184","CuKα","","0.1196","0.1079","","","0.2922","0.3153","","","","","","1.106","","","","has coordinates","281417","2023-03-04","18:10:54",""
"7246028","12.6831","0.0003","10.8758","0.0002","6.7333","0.0002","90","","90","","90","","928.78","0.04","327.97","0.1","327.97","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C7 H10 N2 O4 S -","- C7 H10 N2 O4 S -","- C28 H40 N8 O16 S4 -","4","0.5","","Yu, Zihong; You, Xiuli; Du, Wenqing; Peng, Ziqin; Guo, Wenjing; Wei, Zhenhong","The mechanism of two reversible phase transitions and dielectric anomalies in a single-component organic molecule 1-sulfo-4-dimethylamino-pyridinium","CrystEngComm","2023","25","5","822","827","10.1039/D2CE01521H","","x-ray","1.54184","CuKα","","0.0685","0.0662","","","0.2212","0.226","","","","","","1.125","","","","has coordinates,has disorder","281417","2023-03-04","18:10:54",""
"7246029","12.6737","0.0004","10.861","0.0004","6.7004","0.0002","90","","90","","90","","922.3","0.05","292.96","0.1","292.96","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C7 H10 N2 O4 S -","- C7 H10 N2 O4 S -","- C28 H40 N8 O16 S4 -","4","0.5","","Yu, Zihong; You, Xiuli; Du, Wenqing; Peng, Ziqin; Guo, Wenjing; Wei, Zhenhong","The mechanism of two reversible phase transitions and dielectric anomalies in a single-component organic molecule 1-sulfo-4-dimethylamino-pyridinium","CrystEngComm","2023","25","5","822","827","10.1039/D2CE01521H","","x-ray","1.54184","CuKα","","0.0787","0.0735","","","0.2213","0.2287","","","","","","1.111","","","","has coordinates,has disorder","281417","2023-03-04","18:10:54",""
"7246035","14.192","0.004","3.6287","0.0009","15.065","0.003","90","","97.547","0.007","90","","769.1","0.3","298","2","298","2","","","","","","","","3","P 1 2/n 1","-P 2yac","13","","","","- C7 H8 O6 -","- C7 H8 O6 -","- C28 H32 O24 -","4","1","","Iqbal, Infal; Mehmood, Arshad; Noureen, Sajida; Lecomte, Claude; Ahmed, Maqsood","Crystal engineering, electron density analysis, and in situ variable temperature studies on co-crystal between nicotinic acid and gallic acid sesquihydrate","CrystEngComm","2023","25","5","770","784","10.1039/D2CE01149B","","x-ray","0.71073","MoKα","","0.1281","0.0791","","","0.1532","0.1726","","","","","","1.083","","","","has coordinates","281416","2023-03-04","18:10:40",""
"7246036","11.839","0.005","11.905","0.006","12.412","0.005","93.001","0.016","116.196","0.017","113.954","0.014","1376.1","1.1","360","2","360","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H28 N2 O17 -","- C26 H28 N2 O17 -","- C52 H56 N4 O34 -","2","1","","Iqbal, Infal; Mehmood, Arshad; Noureen, Sajida; Lecomte, Claude; Ahmed, Maqsood","Crystal engineering, electron density analysis, and in situ variable temperature studies on co-crystal between nicotinic acid and gallic acid sesquihydrate","CrystEngComm","2023","25","5","770","784","10.1039/D2CE01149B","","x-ray","0.71073","MoKα","","0.4441","0.1244","","","0.1771","0.3065","","","","","","0.937","","","","has coordinates","281416","2023-03-04","18:10:40",""
"7246037","11.855","0.004","11.927","0.005","12.429","0.004","93.021","0.016","116.163","0.016","113.993","0.013","1382.2","0.9","355","2","355","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H28 N2 O17 -","- C26 H28 N2 O17 -","- C52 H56 N4 O34 -","2","1","","Iqbal, Infal; Mehmood, Arshad; Noureen, Sajida; Lecomte, Claude; Ahmed, Maqsood","Crystal engineering, electron density analysis, and in situ variable temperature studies on co-crystal between nicotinic acid and gallic acid sesquihydrate","CrystEngComm","2023","25","5","770","784","10.1039/D2CE01149B","","x-ray","0.71073","MoKα","","0.3987","0.1287","","","0.1479","0.2369","","","","","","0.929","","","","has coordinates","281416","2023-03-04","18:10:40",""
"7246038","11.7567","0.0003","11.7617","0.0003","12.4158","0.0003","92.673","","115.837","","115.556","","1334.57","0.06","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H28 N2 O17 -","- C26 H28 N2 O17 -","- C52 H56 N4 O34 -","2","1","","Iqbal, Infal; Mehmood, Arshad; Noureen, Sajida; Lecomte, Claude; Ahmed, Maqsood","Crystal engineering, electron density analysis, and in situ variable temperature studies on co-crystal between nicotinic acid and gallic acid sesquihydrate","CrystEngComm","2023","25","5","770","784","10.1039/D2CE01149B","","","0.71073","MoKα","","0.0651","0.0423","","","0.1499","0.0887","","","","","","1","","","","has coordinates","288248","2023-12-12","12:55:28",""
"7246039","11.819","0.003","11.875","0.004","12.418","0.004","92.958","0.009","116.097","0.01","114.336","0.01","1367.1","0.8","310","","310","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H28 N2 O17 -","- C26 H28 N2 O17 -","- C52 H56 N4 O34 -","2","1","","Iqbal, Infal; Mehmood, Arshad; Noureen, Sajida; Lecomte, Claude; Ahmed, Maqsood","Crystal engineering, electron density analysis, and in situ variable temperature studies on co-crystal between nicotinic acid and gallic acid sesquihydrate","CrystEngComm","2023","25","5","770","784","10.1039/D2CE01149B","","x-ray","0.71073","MoKα","","0.2744","0.1036","","","0.1699","0.2485","","","","","","0.955","","","","has coordinates","281416","2023-03-04","18:10:40",""
"7246040","11.7567","0.0003","11.7617","0.0003","12.4158","0.0003","92.673","","115.837","","115.556","","1334.57","0.06","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H28 N2 O17 -","- C26 H28 N2 O17 -","- C52 H56 N4 O34 -","2","1","","Iqbal, Infal; Mehmood, Arshad; Noureen, Sajida; Lecomte, Claude; Ahmed, Maqsood","Crystal engineering, electron density analysis, and in situ variable temperature studies on co-crystal between nicotinic acid and gallic acid sesquihydrate","CrystEngComm","2023","25","5","770","784","10.1039/D2CE01149B","","","0.71073","MoKα","","0.0063","0.0054","","","0.0166","0.0206","","","","","","0.997","","","","has coordinates","288248","2023-12-12","12:55:28",""
"7246041","11.7567","0.0003","11.7617","0.0003","12.4158","0.0003","92.673","","115.837","","115.556","","1334.57","0.06","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H28 N2 O17 -","- C26 H28 N2 O17 -","- C52 H56 N4 O34 -","2","1","","Iqbal, Infal; Mehmood, Arshad; Noureen, Sajida; Lecomte, Claude; Ahmed, Maqsood","Crystal engineering, electron density analysis, and in situ variable temperature studies on co-crystal between nicotinic acid and gallic acid sesquihydrate","CrystEngComm","2023","25","5","770","784","10.1039/D2CE01149B","","","0.71073","MoKα","","0.0528","0.0294","","","0.0428","0.0331","","","","","","1.006","","","","has coordinates","288248","2023-12-12","12:55:28",""
"7246042","11.849","0.007","11.915","0.007","12.432","0.008","92.987","0.016","116.174","0.014","114.04","0.015","1379.8","1.5","350","2","350","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H28 N2 O17 -","- C26 H28 N2 O17 -","- C52 H56 N4 O34 -","2","1","","Iqbal, Infal; Mehmood, Arshad; Noureen, Sajida; Lecomte, Claude; Ahmed, Maqsood","Crystal engineering, electron density analysis, and in situ variable temperature studies on co-crystal between nicotinic acid and gallic acid sesquihydrate","CrystEngComm","2023","25","5","770","784","10.1039/D2CE01149B","","x-ray","0.71073","MoKα","","0.4006","0.1358","","","0.2096","0.3477","","","","","","1.0497","","","","has coordinates","281416","2023-03-04","18:10:40",""
"7246043","7.37","0.02","8.24","0.02","11.73","0.03","79.49","0.09","89.55","0.11","89.28","0.12","700","3","363","2","363","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H12 O10 -","- C14 H12 O10 -","- C28 H24 O20 -","2","1","","Iqbal, Infal; Mehmood, Arshad; Noureen, Sajida; Lecomte, Claude; Ahmed, Maqsood","Crystal engineering, electron density analysis, and in situ variable temperature studies on co-crystal between nicotinic acid and gallic acid sesquihydrate","CrystEngComm","2023","25","5","770","784","10.1039/D2CE01149B","","x-ray","0.71073","MoKα","","0.4601","0.0882","","","0.1326","0.2508","","","","","","0.892","","","","has coordinates","281416","2023-03-04","18:10:40",""
"7246045","10.9825","0.0001","22.9575","0.0002","23.0079","0.0002","90","","98.137","0.001","90","","5742.6","0.09","100","2","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H56 Dy5 N3 O24 -","- C46 H59 Dy5 N3 O24 -","- C184 H236 Dy20 N12 O96 -","4","1","","Li, Wen-Qiang; Ma, Meng-Xia; Ni, Qing-Ling; Li, Shi-Ming; Gui, Liu-Cheng; Wang, Xiu-Jian","Synthesis, structures and magnetic properties of four dysprosium-based complexes with a multidentate ligand with steric constraint","CrystEngComm","2023","25","4","614","621","10.1039/D2CE01201D","","x-ray","1.54184","CuKα","","0.0534","0.0486","","","0.1218","0.1244","","","","","","1.111","","","","has coordinates","281430","2023-03-04","18:14:31",""
"7246046","10.925","0.0003","11.2522","0.0004","16.2537","0.0005","96.322","0.003","98.838","0.002","111.745","0.003","1803.23","0.11","293","2","293","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H60 Cl6 Dy4 N6 O14 -","- C60 H64 Cl6 Dy4 N6 O14 -","- C60 H64 Cl6 Dy4 N6 O14 -","1","0.5","","Li, Wen-Qiang; Ma, Meng-Xia; Ni, Qing-Ling; Li, Shi-Ming; Gui, Liu-Cheng; Wang, Xiu-Jian","Synthesis, structures and magnetic properties of four dysprosium-based complexes with a multidentate ligand with steric constraint","CrystEngComm","2023","25","4","614","621","10.1039/D2CE01201D","","","0.71073","MoKα","","0.0425","0.0293","","","0.0597","0.0658","","","","","","1.045","","","","has coordinates","281430","2023-03-04","18:14:31",""
"7246047","22.636","0.0003","16.7245","0.0002","23.9473","0.0003","90","","90","","90","","9065.9","0.2","293","2","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C82 H84 Dy6 N6 O32 -","- C80 H96 Dy6 N8 O32 -","- C320 H384 Dy24 N32 O128 -","4","0.5","","Li, Wen-Qiang; Ma, Meng-Xia; Ni, Qing-Ling; Li, Shi-Ming; Gui, Liu-Cheng; Wang, Xiu-Jian","Synthesis, structures and magnetic properties of four dysprosium-based complexes with a multidentate ligand with steric constraint","CrystEngComm","2023","25","4","614","621","10.1039/D2CE01201D","","x-ray","0.71073","MoKα","","0.0487","0.0382","","","0.0887","0.0967","","","","","","1.127","","","","has coordinates","281430","2023-03-04","18:14:31",""
"7246048","14.1814","0.0005","15.2007","0.0007","17.7267","0.0006","79.139","0.003","89.186","0.003","64.683","0.004","3382.9","0.3","293","2","293","","","","","","","","","5","P -1","-P 1","2","","","","- C62 H60 Dy2 N6 O14 -","- C62 H64 Dy2 N6 O14 -","- C124 H128 Dy4 N12 O28 -","2","1","","Li, Wen-Qiang; Ma, Meng-Xia; Ni, Qing-Ling; Li, Shi-Ming; Gui, Liu-Cheng; Wang, Xiu-Jian","Synthesis, structures and magnetic properties of four dysprosium-based complexes with a multidentate ligand with steric constraint","CrystEngComm","2023","25","4","614","621","10.1039/D2CE01201D","","","0.71073","MoKα","","0.0738","0.0471","","","0.0862","0.1062","","","","","","1.094","","","","has coordinates","281430","2023-03-04","18:14:31",""
"7246053","19.733","0.002","11.4151","0.001","45.913","0.004","90","","90.061","0.005","90","","10342.1","1.7","273","2","273","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C30 H36 Co2 N4 O9.33 S -","- C30 H36 Co2 N4 O9.3333 S -","- C360 H432 Co24 N48 O112 S12 -","12","3","","Sarkar, Rabi Sankar; Biswas, Animesh; Ray, Partha Pratim; Gomila, Rosa M.; Drew, Michael G. B.; Banerjee, Snehasis; Frontera, Antonio; Chattopadhyay, Shouvik","An insight into the non-covalent interactions in the solid state structures of dinuclear cobalt(ii) complexes with N,O-donor ligands: application of the complexes in the fabrication of Schottky devices","CrystEngComm","2023","25","6","1006","1017","10.1039/D2CE01282K","","","0.71073","MoKα","","0.0551","0.0418","","","0.1075","0.1152","","","","","","1.093","","","","has coordinates","281444","2023-03-04","18:17:39",""
"7246054","10.9212","0.0017","11.0738","0.0017","18.188","0.003","81.668","0.005","83.745","0.005","64.344","0.004","1959.2","0.5","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H44 Co2 N4 O9 S2 -","- C34 H44 Co2 N4 O9 S2 -","- C68 H88 Co4 N8 O18 S4 -","2","1","","Sarkar, Rabi Sankar; Biswas, Animesh; Ray, Partha Pratim; Gomila, Rosa M.; Drew, Michael G. B.; Banerjee, Snehasis; Frontera, Antonio; Chattopadhyay, Shouvik","An insight into the non-covalent interactions in the solid state structures of dinuclear cobalt(ii) complexes with N,O-donor ligands: application of the complexes in the fabrication of Schottky devices","CrystEngComm","2023","25","6","1006","1017","10.1039/D2CE01282K","","","0.71073","MoKα","","0.0581","0.0441","","","0.1348","0.157","","","","","","0.835","","","","has coordinates,has disorder","281444","2023-03-04","18:17:39",""
"7246059","12.0496","0.0005","10.0022","0.0003","17.5237","0.0006","90","","100.888","0.002","90","","2073.98","0.13","300","","300","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C36 H28 Cl2 N10 Ni -","- C36 H28 Cl2 N10 Ni -","- C72 H56 Cl4 N20 Ni2 -","2","0.5","","Cai, He-Qun; Xin, Yu; Jiang, Shan; Bai, Feng-Ying; Xing, Yong-Heng","Ni(ii) and Co(ii) complexes for the selective adsorption of anionic dyes from aqueous solutions","CrystEngComm","2023","25","5","848","858","10.1039/D2CE01636B","","","0.71073","MoKα","","0.065","0.0574","","","0.1625","0.1685","","","","","","1.059","","","","has coordinates","281424","2023-03-04","18:12:48",""
"7246060","8.9394","0.0009","9.4121","0.0009","10.6613","0.001","72.028","0.002","70.686","0.002","77.774","0.002","799.2","0.13","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H15 N5 O -","- C18 H15 N5 O -","- C36 H30 N10 O2 -","2","1","","Cai, He-Qun; Xin, Yu; Jiang, Shan; Bai, Feng-Ying; Xing, Yong-Heng","Ni(ii) and Co(ii) complexes for the selective adsorption of anionic dyes from aqueous solutions","CrystEngComm","2023","25","5","848","858","10.1039/D2CE01636B","","","0.71073","MoKα","","0.0919","0.0526","","","0.1261","0.1496","","","","","","1.022","","","","has coordinates","281424","2023-03-04","18:12:49",""
"7246061","7.623","0.011","10.098","0.015","11.325","0.017","110.36","0.03","103.14","0.03","95.07","0.03","782","2","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H13 Cl N5 -","- C18 H14 Cl N5 -","- C36 H28 Cl2 N10 -","2","1","","Cai, He-Qun; Xin, Yu; Jiang, Shan; Bai, Feng-Ying; Xing, Yong-Heng","Ni(ii) and Co(ii) complexes for the selective adsorption of anionic dyes from aqueous solutions","CrystEngComm","2023","25","5","848","858","10.1039/D2CE01636B","","","0.71073","MoKα","","0.1672","0.0803","","","0.2193","0.305","","","","","","0.942","","","","has coordinates","281424","2023-03-04","18:12:49",""
"7246062","24.2098","0.0006","10.0344","0.0002","17.4741","0.0004","90","","101.13","0.001","90","","4165.16","0.16","293","","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C36 H41 Cl Co N10 O8 -","- C36 H41 Cl Co N10 O8 -","- C144 H164 Cl4 Co4 N40 O32 -","4","1","","Cai, He-Qun; Xin, Yu; Jiang, Shan; Bai, Feng-Ying; Xing, Yong-Heng","Ni(ii) and Co(ii) complexes for the selective adsorption of anionic dyes from aqueous solutions","CrystEngComm","2023","25","5","848","858","10.1039/D2CE01636B","","","0.71073","MoKα","","0.084","0.0674","","","0.2103","0.2266","","","","","","1.098","","","","has coordinates","281424","2023-03-04","18:12:49",""
"7246063","18.1682","0.0002","21.115","0.0002","23.715","0.0003","90.108","0.001","109.627","0.001","106.649","0.001","8161.1","0.17","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C266 H377 Cu12 Dy14 N30 O119.5 -","- C266 H377 Cu12 Dy14 N30 O119.25 -","- C266 H377 Cu12 Dy14 N30 O119.25 -","1","0.5","","Yu, Shui; Hu, Huancheng; Qiu, Zhihui; Zhang, Yuzhen; Liu, Dongcheng; Liang, Yuning; Zou, Hua-Hong; Liang, Fu-Pei; Chen, Zilu","Structure and assembly mechanism of a centipede-shaped high-nuclear Dy14Cu12 heterometallic nanocluster","CrystEngComm","2023","25","1","114","121","10.1039/D2CE01291J","","","1.54184","CuKα","","0.0609","0.0555","","","0.1448","0.15","","","","","","1.018","","","","has coordinates,has disorder","280071","2023-01-01","00:18:39",""
"7246064","3.812","0.003","8.905","0.004","10.498","0.005","90","","95.02","0.04","90","","355","0.4","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","5-nitrobenzo[<i>c</i>][1,2,5]thiadiazole","","- C6 H3 N3 O2 S -","- C6 H3 N3 O2 S -","- C12 H6 N6 O4 S2 -","2","1","","Gentile, Francesco Silvio; Parisi, Emmanuele; Centore, Roberto","Journeys in crystal energy landscapes: actual and virtual structures in polymorphic 5-nitrobenzo[c][1,2,5]thiadiazole","CrystEngComm","2023","25","5","859","865","10.1039/D2CE01619B","","x-ray","0.71073","MoKα","","0.0717","0.0478","","","0.1085","0.1229","","","","","","1.044","","","","has coordinates","281421","2023-03-04","18:11:36",""
"7246065","8.4102","0.0002","24.2114","0.0006","15.6405","0.0004","90","","91.32","0.001","90","","3183.92","0.14","293","2","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H25 O17.5 Zn3 -","- C32 H24 O17.5 Zn3 -","- C128 H96 O70 Zn12 -","4","1","","He, Yuan-Chun; Yu, Hao-Long; Zhao, Kai-Yang; Wang, Yao; Geng, Chang-Sheng; Wu, Shuang; Yang, Hong-Kun; Zhao, Fang-Hua","Three new Zn(ii) coordination polymers for highly selective and sensitive detection of Fe3+","CrystEngComm","2023","25","2","328","336","10.1039/D2CE01382G","","","0.71073","MoKα","","0.0444","0.0356","","","0.1003","0.1062","","","","","","1.069","","","","has coordinates","280082","2023-01-03","23:34:18",""
"7246066","7.1877","0.0003","10.8583","0.0004","12.6345","0.0005","104.476","0.001","91.4","0.001","94.091","0.001","951.42","0.07","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H13 N0 O9.5 Zn2 -","- C16 H12 O9.5 Zn2 -","- C32 H24 O19 Zn4 -","2","1","","He, Yuan-Chun; Yu, Hao-Long; Zhao, Kai-Yang; Wang, Yao; Geng, Chang-Sheng; Wu, Shuang; Yang, Hong-Kun; Zhao, Fang-Hua","Three new Zn(ii) coordination polymers for highly selective and sensitive detection of Fe3+","CrystEngComm","2023","25","2","328","336","10.1039/D2CE01382G","","","0.71073","MoKα","","0.0259","0.0252","","","0.085","0.0855","","","","","","1.022","","","","has coordinates,has disorder","280082","2023-01-03","23:34:18",""
"7246067","24.416","0.002","13.1343","0.0013","18.2143","0.0019","90","","97.684","0.003","90","","5788.6","1","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57 H56 N10 O15.5 Zn3 -","- C57 H56 N10 O15.5 Zn3 -","- C228 H224 N40 O62 Zn12 -","4","1","","He, Yuan-Chun; Yu, Hao-Long; Zhao, Kai-Yang; Wang, Yao; Geng, Chang-Sheng; Wu, Shuang; Yang, Hong-Kun; Zhao, Fang-Hua","Three new Zn(ii) coordination polymers for highly selective and sensitive detection of Fe3+","CrystEngComm","2023","25","2","328","336","10.1039/D2CE01382G","","","0.71076","MoKα","","0.0903","0.0665","","","0.1773","0.1925","","","","","","1.053","","","","has coordinates,has disorder","280082","2023-01-03","23:34:19",""
"7246077","23.2569","0.001","19.241","0.0008","28.2143","0.0014","90","","101.344","0.002","90","","12378.9","1","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C108 H141 Co7 Dy N15 O43 -","- C102 H102 Co7 Dy N12 O28 -","- C408 H408 Co28 Dy4 N48 O112 -","4","1","","Wang, Hui-Sheng; Yu, Chun-Fang; Ye, Si-Qi; Chen, Yong; Liu, Xueru; Wu, Yanfang; Zhou, Pengfei; Zhang, Yi-Quan","Modulating the structural topologies from star-shape to cross-shape for Co–Dy heterometallic complexes with slow magnetic relaxation behavior","CrystEngComm","2023","25","5","726","737","10.1039/D2CE01381A","","","0.71073","MoKα","","0.1038","0.0648","","","0.1294","0.142","","","","","","1.083","","","","has coordinates","281418","2023-03-04","18:11:08",""
"7246078","11.9878","0.0017","13.463","0.0019","19.444","0.003","103.072","0.002","97.912","0.002","100.201","0.002","2956.3","0.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H55 Co2 Dy2 N12 O25.5 -","- C44 H44 Co2 Dy2 N10 O23 -","- C88 H88 Co4 Dy4 N20 O46 -","2","1","","Wang, Hui-Sheng; Yu, Chun-Fang; Ye, Si-Qi; Chen, Yong; Liu, Xueru; Wu, Yanfang; Zhou, Pengfei; Zhang, Yi-Quan","Modulating the structural topologies from star-shape to cross-shape for Co–Dy heterometallic complexes with slow magnetic relaxation behavior","CrystEngComm","2023","25","5","726","737","10.1039/D2CE01381A","","","0.71073","MoKα","","0.0736","0.0457","","","0.0842","0.0895","","","","","","1.146","","","","has coordinates","281418","2023-03-04","18:11:08",""
"7246079","6.8","0.1","11.2","0.2","17.7","0.4","78.4","0.5","83.9","0.5","72.9","0.5","1261","4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","triphenylene-TCNQ","","- C30 H16 N4 -","- C30 H16 N4 -","- C60 H32 N8 -","2","1","","Payne, Simon; Andrusenko, Iryna; Papi, Francesco; Potticary, Jason; Gemmi, Mauro; Hall, Simon R.","The crystal structure and electronic properties of three novel charge transfer co-crystals TCNQFn–triphenylene (n = 0, 2, 4)","CrystEngComm","2023","25","5","828","834","10.1039/D2CE01127A","","","0.0335","electron","","0.502","0.4104","","","0.6773","0.7287","","","","","","2.925","","","","has coordinates","281426","2023-03-04","18:13:09",""
"7246080","9.4","0.2","7.18","0.05","32.2","0.2","90","","98.4","0.5","90","","2150","5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","TCNQF2, Triphenylene","7,7,8,8-tetracyanoquinodimethane, 9,10-Benzophenanthrene Isochrysene Benzo[l]phenanthrene","","- C30 H14 F2 N4 -","- C30 H14 F2 N4 -","- C120 H56 F8 N16 -","4","1","","Payne, Simon; Andrusenko, Iryna; Papi, Francesco; Potticary, Jason; Gemmi, Mauro; Hall, Simon R.","The crystal structure and electronic properties of three novel charge transfer co-crystals TCNQFn–triphenylene (n = 0, 2, 4)","CrystEngComm","2023","25","5","828","834","10.1039/D2CE01127A","","","0.0335","electron","","0.373","0.3066","","","0.6648","0.7159","","","","","","1.156","","","","has coordinates","281426","2023-03-04","18:13:09",""
"7246081","17.8","0.4","17.4","0.3","9.2","0.18","90","","130.3","0.5","90","","2173","8","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Triphenylene-TCNQF4","","- C30 H12 F4 N4 -","- C30 H12 F4 N4 -","- C120 H48 F16 N16 -","4","0.5","","Payne, Simon; Andrusenko, Iryna; Papi, Francesco; Potticary, Jason; Gemmi, Mauro; Hall, Simon R.","The crystal structure and electronic properties of three novel charge transfer co-crystals TCNQFn–triphenylene (n = 0, 2, 4)","CrystEngComm","2023","25","5","828","834","10.1039/D2CE01127A","","","0.0335","electron","","0.4199","0.3533","","","0.5815","0.6369","","","","","","2.461","","","","has coordinates","281426","2023-03-04","18:13:09",""
"7246082","20.123","0.005","21.977","0.006","20.646","0.006","90","","95.924","0.01","90","","9082","4","200","2","200","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C66 H76 F10 N4 -","- C66 H76 F10 N4 -","- C264 H304 F40 N16 -","4","0.5","","Dai, Siyu; Liu, Yuqi; Li, Yanghua; Jin, Nanhao; Wang, Xinying; Liu, Xiaoming; Chen, Han; Zhao, Yue; Luo, Huilong; Li, Wei","Three novel coordination polymers as bifunctional materials for the photocatalytic degradation of dyes and the oxygen evolution reaction in alkaline solutions","CrystEngComm","2023","25","5","785","797","10.1039/D2CE01306A","","","0.71073","MoKα","","0.1966","0.1377","","","0.3982","0.4714","","","","","","1.6081","","","","has coordinates","281422","2023-03-04","18:12:31",""
"7246083","22.241","0.008","10.099","0.004","20.932","0.007","90","","93.166","0.006","90","","4694","3","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 Co N6 O4 -","- C24 H23 Co N6 O4 -","- C192 H184 Co8 N48 O32 -","8","1","","Dai, Siyu; Liu, Yuqi; Li, Yanghua; Jin, Nanhao; Wang, Xinying; Liu, Xiaoming; Chen, Han; Zhao, Yue; Luo, Huilong; Li, Wei","Three novel coordination polymers as bifunctional materials for the photocatalytic degradation of dyes and the oxygen evolution reaction in alkaline solutions","CrystEngComm","2023","25","5","785","797","10.1039/D2CE01306A","","","0.71073","MoKα","","0.1112","0.0921","","","0.2291","0.244","","","","","","1.045","","","","has coordinates,has disorder","281422","2023-03-04","18:12:31",""
"7246084","8.94","0.005","12.233","0.005","14.394","0.005","87.621","0.005","72.178","0.005","77.266","0.005","1461.2","1.1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H20 N8 O10 Zn2 -","- C23 H20 N8 O10 Zn2 -","- C46 H40 N16 O20 Zn4 -","2","1","","Dinda, Susanta; Pahari, Goutam; Maiti, Anupam; Ghoshal, Debajyoti","Solvent induced reversible single-crystal-to-single-crystal structural transformation in dynamic metal organic frameworks: a case of enhanced hydrogen sorption in polycatenated framework","CrystEngComm","2023","25","7","1116","1125","10.1039/D2CE01559E","","","0.71073","MoKα","","0.071","0.0509","","","0.1156","0.1246","","","","","","1.091","","","","has coordinates","281450","2023-03-04","18:18:58",""
"7246085","8.1969","0.0008","9.3522","0.0009","10.159","0.001","104.479","0.003","113.104","0.003","105.177","0.003","634.41","0.11","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 N8 O10 Zn2 -","- C22 H20 N8 O10 Zn2 -","- C22 H20 N8 O10 Zn2 -","1","0.5","","Dinda, Susanta; Pahari, Goutam; Maiti, Anupam; Ghoshal, Debajyoti","Solvent induced reversible single-crystal-to-single-crystal structural transformation in dynamic metal organic frameworks: a case of enhanced hydrogen sorption in polycatenated framework","CrystEngComm","2023","25","7","1116","1125","10.1039/D2CE01559E","","","0.71073","MoKα","","0.0432","0.04","","","0.1044","0.1063","","","","","","1.126","","","","has coordinates","281450","2023-03-04","18:18:58",""
"7246086","10.8004","0.0008","15.8656","0.0013","16.4535","0.0013","90","","91.071","0.003","90","","2818.9","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 Cd2 N8 O10 -","- C23 H20 Cd2 N8 O10 -","- C92 H80 Cd8 N32 O40 -","4","1","","Dinda, Susanta; Pahari, Goutam; Maiti, Anupam; Ghoshal, Debajyoti","Solvent induced reversible single-crystal-to-single-crystal structural transformation in dynamic metal organic frameworks: a case of enhanced hydrogen sorption in polycatenated framework","CrystEngComm","2023","25","7","1116","1125","10.1039/D2CE01559E","","","0.71073","MoKα","","0.0301","0.0227","","","0.0534","0.0587","","","","","","1.105","","","","has coordinates","281450","2023-03-04","18:18:58",""
"7246087","8.7683","0.0007","12.2482","0.0009","14.431","0.0009","87.618","0.002","72.671","0.002","77.004","0.003","1441.05","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H18 N8 O10 Zn2 -","- C23 H18 N8 O10 Zn2 -","- C46 H36 N16 O20 Zn4 -","2","1","","Dinda, Susanta; Pahari, Goutam; Maiti, Anupam; Ghoshal, Debajyoti","Solvent induced reversible single-crystal-to-single-crystal structural transformation in dynamic metal organic frameworks: a case of enhanced hydrogen sorption in polycatenated framework","CrystEngComm","2023","25","7","1116","1125","10.1039/D2CE01559E","","","0.71073","MoKα","","0.1033","0.0899","","","0.24","0.2565","","","","","","1.02","","","","has coordinates","281450","2023-03-04","18:18:58",""
"7246088","10.8053","0.0012","15.8625","0.0017","16.4783","0.0018","90","","90.987","0.003","90","","2823.9","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 Cd2 N8 O10 -","- C23 H20 Cd2 N8 O10 -","- C92 H80 Cd8 N32 O40 -","4","1","","Dinda, Susanta; Pahari, Goutam; Maiti, Anupam; Ghoshal, Debajyoti","Solvent induced reversible single-crystal-to-single-crystal structural transformation in dynamic metal organic frameworks: a case of enhanced hydrogen sorption in polycatenated framework","CrystEngComm","2023","25","7","1116","1125","10.1039/D2CE01559E","","","0.71073","MoKα","","0.0511","0.0379","","","0.0888","0.1013","","","","","","1.058","","","","has coordinates","281450","2023-03-04","18:18:58",""
"7246089","8.4948","0.0008","8.8675","0.0008","9.1411","0.0009","62.811","0.002","72.947","0.002","87.063","0.002","582.78","0.1","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C18 H21 Cd N8 O8 -","- C18 H21 Cd N8 O8 -","- C18 H21 Cd N8 O8 -","1","1","","Dinda, Susanta; Pahari, Goutam; Maiti, Anupam; Ghoshal, Debajyoti","Solvent induced reversible single-crystal-to-single-crystal structural transformation in dynamic metal organic frameworks: a case of enhanced hydrogen sorption in polycatenated framework","CrystEngComm","2023","25","7","1116","1125","10.1039/D2CE01559E","","","0.71073","MoKα","","0.0149","0.0149","","","0.0406","0.0406","","","","","","1.09","","","","has coordinates","281450","2023-03-04","18:18:58",""
"7246090","10.639","0.003","11.7","0.002","13.178","0.003","77.2","0.01","75.01","0.04","66","0.01","1434.9","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H32 Cl N5 O10 -","- C28 H32 Cl N5 O10 -","- C56 H64 Cl2 N10 O20 -","2","1","","Rekha Rout, Smruti; Kenguva, Gowtham; Giri, Lopamudra; Dandela, Rambabu","Novel salts of the antiemetic drug domperidone: synthesis, characterization and physicochemical property investigation","CrystEngComm","2023","25","4","513","524","10.1039/D2CE00902A","","","0.71073","MoKα","","0.0744","0.0546","","","0.1532","0.175","","","","","","0.929","","","","has coordinates","281431","2023-03-04","18:14:55",""
"7246091","9.761","0.001","10.491","0.001","14.285","0.002","69.04","0.01","80.93","0.01","82.77","0.01","1345.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H30 Cl N5 O5 -","- C29 H30 Cl N5 O5 -","- C58 H60 Cl2 N10 O10 -","2","1","","Rekha Rout, Smruti; Kenguva, Gowtham; Giri, Lopamudra; Dandela, Rambabu","Novel salts of the antiemetic drug domperidone: synthesis, characterization and physicochemical property investigation","CrystEngComm","2023","25","4","513","524","10.1039/D2CE00902A","","","0.71073","MoKα","","0.0441","0.038","","","0.1005","0.1053","","","","","","1.022","","","","has coordinates","281431","2023-03-04","18:14:55",""
"7246092","11.189","0.001","11.669","0.001","12.054","0.002","102.4","0.05","113.18","0.04","108.06","0.05","1269.3","1.1","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H30 Cl N5 O5 -","- C25 H30 Cl N5 O5 -","- C50 H60 Cl2 N10 O10 -","2","1","","Rekha Rout, Smruti; Kenguva, Gowtham; Giri, Lopamudra; Dandela, Rambabu","Novel salts of the antiemetic drug domperidone: synthesis, characterization and physicochemical property investigation","CrystEngComm","2023","25","4","513","524","10.1039/D2CE00902A","","","0.71073","MoKα","","0.0836","0.057","","","0.1745","0.2038","","","","","","1.251","","","","has coordinates","281431","2023-03-04","18:14:55",""
"7246093","10.615","0.001","11.596","0.001","11.894","0.001","101.11","0.05","111.12","0.05","108.46","0.04","1215.1","0.9","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H29 Cl N5 O5 -","- C24 H29 Cl N5 O5 -","- C48 H58 Cl2 N10 O10 -","2","1","","Rekha Rout, Smruti; Kenguva, Gowtham; Giri, Lopamudra; Dandela, Rambabu","Novel salts of the antiemetic drug domperidone: synthesis, characterization and physicochemical property investigation","CrystEngComm","2023","25","4","513","524","10.1039/D2CE00902A","","","0.71073","MoKα","","0.0725","0.0533","","","0.1283","0.142","","","","","","1.031","","","","has coordinates","281431","2023-03-04","18:14:55",""
"7246094","24.266","0.004","6.249","0.001","17.38","0.002","90","","110.14","0.04","90","","2474.3","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 Cl N5 O6 -","- C25 H27 Cl N5 O6 -","- C100 H108 Cl4 N20 O24 -","4","1","","Rekha Rout, Smruti; Kenguva, Gowtham; Giri, Lopamudra; Dandela, Rambabu","Novel salts of the antiemetic drug domperidone: synthesis, characterization and physicochemical property investigation","CrystEngComm","2023","25","4","513","524","10.1039/D2CE00902A","","","0.71073","MoKα","","0.0824","0.0586","","","0.1279","0.1393","","","","","","1.044","","","","has coordinates","281431","2023-03-04","18:14:55",""
"7246095","14.917","0.001","10.099","0.001","16.199","0.001","90","","103.04","0.01","90","","2377.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H25 Cl N5 O6 -","- C24 H25 Cl N5 O6 -","- C96 H100 Cl4 N20 O24 -","4","1","","Rekha Rout, Smruti; Kenguva, Gowtham; Giri, Lopamudra; Dandela, Rambabu","Novel salts of the antiemetic drug domperidone: synthesis, characterization and physicochemical property investigation","CrystEngComm","2023","25","4","513","524","10.1039/D2CE00902A","","","0.71073","MoKα","","0.0661","0.0454","","","0.1316","0.158","","","","","","0.982","","","","has coordinates","281431","2023-03-04","18:14:55",""
"7246096","18.068","0.009","9.615","0.005","16.759","0.008","90","","116.929","0.007","90","","2596","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H28 Cl N7 O4 -","- C27 H28 Cl N7 O4 -","- C108 H112 Cl4 N28 O16 -","4","1","","Rekha Rout, Smruti; Kenguva, Gowtham; Giri, Lopamudra; Dandela, Rambabu","Novel salts of the antiemetic drug domperidone: synthesis, characterization and physicochemical property investigation","CrystEngComm","2023","25","4","513","524","10.1039/D2CE00902A","","","0.71073","MoKα","","0.1523","0.0728","","","0.1911","0.2466","","","","","","1.274","","","","has coordinates","281431","2023-03-04","18:14:55",""
"7246097","10.4","0.001","11.282","0.001","11.611","0.001","103.39","0.02","108.85","0.02","106.42","0.02","1155.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H28 Cl N5 O5 -","- C24 H28 Cl N5 O5 -","- C48 H56 Cl2 N10 O10 -","2","1","","Rekha Rout, Smruti; Kenguva, Gowtham; Giri, Lopamudra; Dandela, Rambabu","Novel salts of the antiemetic drug domperidone: synthesis, characterization and physicochemical property investigation","CrystEngComm","2023","25","4","513","524","10.1039/D2CE00902A","","","0.71073","MoKα","","0.0854","0.0686","","","0.1676","0.1808","","","","","","1.031","","","","has coordinates","281431","2023-03-04","18:14:55",""
"7246098","12.954","0.005","10.892","0.004","19.82","0.009","90","","98.09","0.01","90","","2768.7","1.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H30 Cl N5 O6 -","- C29 H30 Cl N5 O6 -","- C116 H120 Cl4 N20 O24 -","4","1","","Rekha Rout, Smruti; Kenguva, Gowtham; Giri, Lopamudra; Dandela, Rambabu","Novel salts of the antiemetic drug domperidone: synthesis, characterization and physicochemical property investigation","CrystEngComm","2023","25","4","513","524","10.1039/D2CE00902A","","","0.71073","MoKα","","0.1324","0.0557","","","0.1357","0.1999","","","","","","0.96","","","","has coordinates","281431","2023-03-04","18:14:55",""
"7246099","10.37099","0.00005","5.98542","0.00003","7.72496","0.00004","90","","116.584","0.0005","90","","428.831","0.004","293","","293","1","","","","","","","","4","C 1 2/m 1","-C 2y","12","K5Eu(MoO4)4","K5Eu(MoO4)4","","- Eu K5 Mo4 O16 -","- Eu K5 Mo4 O16 -","- Eu K5 Mo4 O16 -","1","0.125","","Posokhova, Svetlana M.; Morozov, Vladimir A.; Deyneko, Dina V.; Redkin, Boris S.; Spassky, Dmitry A.; Nagirnyi, Vitali; Belik, Alexei A.; Hadermann, Joke; Pavlova, Erzhena T.; Lazoryak, Bogdan I.","K5Eu(MoO4)4 red phosphor for solid state lighting applications, prepared by different techniques","CrystEngComm","2023","25","5","835","847","10.1039/D2CE01107G","powder diffraction","x-ray","0.65297","synchrotron","","0.0983","0.0927","","0.1293","0.1284","","","","5.32","","","","","","","has coordinates","281425","2023-03-04","18:13:00",""
"7246100","8.278","0.003","13.527","0.004","12.503","0.004","90","","90","","90","","1400","0.8","295","","295","","","","","","","","","4","P n a 21","P 2c -2n","33","","2,5-bis(3-bromophenyl)furan","","- C16 H10 Br2 O -","- C16 H10 Br2 O -","- C64 H40 Br8 O4 -","4","1","","Dyk, Konrad; Kinzhybalo, Vasyl; Czernel, Grzegorz; Grudziński, Wojciech; Horak, Yuriy; Butenko, Serhii; Kamiński, Daniel M.","Solvent induced conformational polymorphism","CrystEngComm","2023","25","6","971","980","10.1039/D2CE01681H","","x-ray","0.71073","MoKα","","0.0582","0.032","","","0.0541","0.0605","","","","","","1.027","","","","has coordinates","281448","2023-03-04","18:18:20",""
"7246101","6.3129","0.0003","30.172","0.0012","7.2937","0.0004","90","","90","","90","","1389.25","0.11","295","","295","","","","","","","","","4","P n m a","-P 2ac 2n","62","MBFP","2,5-bis(3-bromophenyl)furan","","- C16 H10 Br2 O -","- C16 H10 Br2 O -","- C64 H40 Br8 O4 -","4","0.5","","Dyk, Konrad; Kinzhybalo, Vasyl; Czernel, Grzegorz; Grudziński, Wojciech; Horak, Yuriy; Butenko, Serhii; Kamiński, Daniel M.","Solvent induced conformational polymorphism","CrystEngComm","2023","25","6","971","980","10.1039/D2CE01681H","","x-ray","0.71073","MoKα","","0.1015","0.0578","","","0.12","0.1354","","","","","","1.108","","","","has coordinates","281448","2023-03-04","18:18:21",""
"7246102","4.1264","0.0006","10.7891","0.0016","31.194","0.004","90","","90","","90","","1388.8","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,5-bis(3-bromophenyl)furan","","- C16 H10 Br2 O -","- C16 H10 Br2 O -","- C64 H40 Br8 O4 -","4","1","","Dyk, Konrad; Kinzhybalo, Vasyl; Czernel, Grzegorz; Grudziński, Wojciech; Horak, Yuriy; Butenko, Serhii; Kamiński, Daniel M.","Solvent induced conformational polymorphism","CrystEngComm","2023","25","6","971","980","10.1039/D2CE01681H","","x-ray","0.71073","MoKα","","0.265","0.0966","","","0.1438","0.1874","","","","","","1.006","","","","has coordinates","281448","2023-03-04","18:18:21",""
"7246103","8.6693","0.0013","7.9704","0.0006","9.8968","0.0007","90","","105.644","0.009","90","","658.51","0.12","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Glyphosate","N-(Phosphonomethyl)glycine","","- C3 H8 N O5 P -","- C3 H8 N O5 P -","- C12 H32 N4 O20 P4 -","4","1","","Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon","Discerning subtle high-pressure phase transitions in glyphosate","CrystEngComm","2023","25","6","988","997","10.1039/D2CE01616H","","","0.56086","AgKα","","0.077","0.0413","","","0.0895","0.1108","","","","","","1.069","","","","has coordinates","281446","2023-03-04","18:18:06",""
"7246104","8.5435","0.0009","7.5706","0.0004","9.2993","0.0005","90","","111.2","0.006","90","","560.77","0.08","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Glyphosate","N-(Phosphonomethyl)glycine","","- C3 H8 N O5 P -","- C3 H8 N O5 P -","- C12 H32 N4 O20 P4 -","4","1","","Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon","Discerning subtle high-pressure phase transitions in glyphosate","CrystEngComm","2023","25","6","988","997","10.1039/D2CE01616H","","","0.56086","AgKα","","0.0587","0.0366","","","0.0792","0.0883","","","","","","1.092","","","","has coordinates","281446","2023-03-04","18:18:06",""
"7246105","8.6626","0.001","7.9208","0.0004","9.782","0.0005","90","","106.599","0.007","90","","643.22","0.09","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Glyphosate","N-(Phosphonomethyl)glycine","","- C3 H8 N O5 P -","- C3 H8 N O5 P -","- C12 H32 N4 O20 P4 -","4","1","","Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon","Discerning subtle high-pressure phase transitions in glyphosate","CrystEngComm","2023","25","6","988","997","10.1039/D2CE01616H","","","0.56086","AgKα","","0.064","0.0369","","","0.0814","0.1008","","","","","","1.052","","","","has coordinates","281446","2023-03-04","18:18:06",""
"7246106","8.496","0.005","7.51","0.002","9.249","0.003","90","","111.96","0.03","90","","547.3","0.4","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Glyphosate","N-(Phosphonomethyl)glycine","","- C3 H8 N O5 P -","- C3 H8 N O5 P -","- C12 H32 N4 O20 P4 -","4","1","","Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon","Discerning subtle high-pressure phase transitions in glyphosate","CrystEngComm","2023","25","6","988","997","10.1039/D2CE01616H","","","0.56086","AgKα","","0.0595","0.0377","","","0.0849","0.0985","","","","","","1.139","","","","has coordinates","281446","2023-03-04","18:18:06",""
"7246107","8.6512","0.0013","7.8496","0.0006","9.6513","0.0008","90","","107.785","0.009","90","","624.08","0.12","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Glyphosate","N-(Phosphonomethyl)glycine","","- C3 H8 N O5 P -","- C3 H8 N O5 P -","- C12 H32 N4 O20 P4 -","4","1","","Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon","Discerning subtle high-pressure phase transitions in glyphosate","CrystEngComm","2023","25","6","988","997","10.1039/D2CE01616H","","","0.56086","AgKα","","0.0554","0.0375","","","0.0728","0.082","","","","","","1.052","","","","has coordinates","281446","2023-03-04","18:18:06",""
"7246108","8.6567","0.0016","7.8828","0.0007","9.7114","0.0009","90","","107.244","0.011","90","","632.91","0.15","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Glyphosate","N-(Phosphonomethyl)glycine","","- C3 H8 N O5 P -","- C3 H8 N O5 P -","- C12 H32 N4 O20 P4 -","4","1","","Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon","Discerning subtle high-pressure phase transitions in glyphosate","CrystEngComm","2023","25","6","988","997","10.1039/D2CE01616H","","","0.56086","AgKα","","0.0599","0.0352","","","0.0783","0.0937","","","","","","1.097","","","","has coordinates","281446","2023-03-04","18:18:06",""
"7246109","8.6419","0.001","7.8197","0.0004","9.6036","0.0006","90","","108.174","0.007","90","","616.61","0.09","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Glyphosate","N-(Phosphonomethyl)glycine","","- C3 H8 N O5 P -","- C3 H8 N O5 P -","- C12 H32 N4 O20 P4 -","4","1","","Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon","Discerning subtle high-pressure phase transitions in glyphosate","CrystEngComm","2023","25","6","988","997","10.1039/D2CE01616H","","","0.56086","AgKα","","0.058","0.0365","","","0.0849","0.0946","","","","","","1.042","","","","has coordinates","281446","2023-03-04","18:18:06",""
"7246110","8.672","0.0006","7.9508","0.0003","9.8213","0.0003","90","","106.235","0.004","90","","650.17","0.06","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Glyphosate","N-(Phosphonomethyl)glycine","","- C3 H8 N O5 P -","- C3 H8 N O5 P -","- C12 H32 N4 O20 P4 -","4","1","","Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon","Discerning subtle high-pressure phase transitions in glyphosate","CrystEngComm","2023","25","6","988","997","10.1039/D2CE01616H","","","0.56086","AgKα","","0.033","0.0253","","","0.0612","0.0642","","","","","","1.071","","","","has coordinates","281446","2023-03-04","18:18:06",""
"7246111","8.616","0.005","7.706","0.002","9.438","0.003","90","","109.78","0.03","90","","589.7","0.4","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Glyphosate","N-(Phosphonomethyl)glycine","","- C3 H8 N O5 P -","- C3 H8 N O5 P -","- C12 H32 N4 O20 P4 -","4","1","","Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon","Discerning subtle high-pressure phase transitions in glyphosate","CrystEngComm","2023","25","6","988","997","10.1039/D2CE01616H","","","0.56086","AgKα","","0.0502","0.0348","","","0.071","0.076","","","","","","1.038","","","","has coordinates","281446","2023-03-04","18:18:06",""
"7246112","8.6285","0.0009","7.7531","0.0004","9.4944","0.0005","90","","109.104","0.005","90","","600.17","0.08","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Glyphosate","N-(Phosphonomethyl)glycine","","- C3 H8 N O5 P -","- C3 H8 N O5 P -","- C12 H32 N4 O20 P4 -","4","1","","Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon","Discerning subtle high-pressure phase transitions in glyphosate","CrystEngComm","2023","25","6","988","997","10.1039/D2CE01616H","","","0.56086","AgKα","","0.029","0.0236","","","0.0592","0.0622","","","","","","1.103","","","","has coordinates","281446","2023-03-04","18:18:06",""
"7246113","8.5889","0.0009","7.6517","0.0004","9.3709","0.0005","90","","110.256","0.005","90","","577.77","0.08","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Glyphosate","N-(Phosphonomethyl)glycine","","- C3 H8 N O5 P -","- C3 H8 N O5 P -","- C12 H32 N4 O20 P4 -","4","1","","Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon","Discerning subtle high-pressure phase transitions in glyphosate","CrystEngComm","2023","25","6","988","997","10.1039/D2CE01616H","","","0.56086","AgKα","","0.0286","0.0236","","","0.0601","0.0624","","","","","","1.093","","","","has coordinates","281446","2023-03-04","18:18:06",""
"7246114","8.526","0.002","7.5312","0.0009","9.2654","0.0012","90","","111.625","0.013","90","","553.07","0.17","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Glyphosate","N-(Phosphonomethyl)glycine","","- C3 H8 N O5 P -","- C3 H8 N O5 P -","- C12 H32 N4 O20 P4 -","4","1","","Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon","Discerning subtle high-pressure phase transitions in glyphosate","CrystEngComm","2023","25","6","988","997","10.1039/D2CE01616H","","","0.56086","AgKα","","0.0516","0.0333","","","0.0708","0.0797","","","","","","1.106","","","","has coordinates","281446","2023-03-04","18:18:06",""
"7246115","8.562","0.002","7.6058","0.0009","9.3306","0.0012","90","","110.868","0.013","90","","567.76","0.17","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Glyphosate","N-(Phosphonomethyl)glycine","","- C3 H8 N O5 P -","- C3 H8 N O5 P -","- C12 H32 N4 O20 P4 -","4","1","","Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon","Discerning subtle high-pressure phase transitions in glyphosate","CrystEngComm","2023","25","6","988","997","10.1039/D2CE01616H","","","0.56086","AgKα","","0.0616","0.0397","","","0.0841","0.092","","","","","","1.045","","","","has coordinates","281446","2023-03-04","18:18:06",""
"7246116","8.574","0.0013","7.6158","0.0005","9.3347","0.0007","90","","110.657","0.007","90","","570.35","0.11","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Glyphosate","N-(Phosphonomethyl)glycine","","- C3 H8 N O5 P -","- C3 H8 N O5 P -","- C12 H32 N4 O20 P4 -","4","1","","Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon","Discerning subtle high-pressure phase transitions in glyphosate","CrystEngComm","2023","25","6","988","997","10.1039/D2CE01616H","","","0.56086","AgKα","","0.0308","0.0262","","","0.0634","0.0659","","","","","","1.141","","","","has coordinates","281446","2023-03-04","18:18:06",""
"7246117","8.6334","0.0014","7.7827","0.0007","9.5468","0.0009","90","","108.729","0.01","90","","607.49","0.13","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Glyphosate","N-(Phosphonomethyl)glycine","","- C3 H8 N O5 P -","- C3 H8 N O5 P -","- C12 H32 N4 O20 P4 -","4","1","","Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon","Discerning subtle high-pressure phase transitions in glyphosate","CrystEngComm","2023","25","6","988","997","10.1039/D2CE01616H","","","0.56086","AgKα","","0.047","0.0298","","","0.0662","0.072","","","","","","1.067","","","","has coordinates","281446","2023-03-04","18:18:06",""
"7246118","8.6185","0.0007","7.7238","0.0003","9.4573","0.0004","90","","109.454","0.004","90","","593.61","0.06","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Glyphosate","N-(Phosphonomethyl)glycine","","- C3 H8 N O5 P -","- C3 H8 N O5 P -","- C12 H32 N4 O20 P4 -","4","1","","Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon","Discerning subtle high-pressure phase transitions in glyphosate","CrystEngComm","2023","25","6","988","997","10.1039/D2CE01616H","","","0.56086","AgKα","","0.031","0.0242","","","0.0626","0.0658","","","","","","1.097","","","","has coordinates","281446","2023-03-04","18:18:06",""
"7246127","8.1197","0.0006","8.363","0.0006","8.3902","0.0005","94.326","0.005","99.044","0.005","110.439","0.005","521.98","0.07","100","","100","","","","","","","","","4","P -1","-P 1","2","","6-(4,6-diamino-1,3,5-triazin-2-yl)pyridin-2(1H)-one methanol solvate","","- C9 H12 N6 O2 -","- C9 H12 N6 O2 -","- C18 H24 N12 O4 -","2","1","","Abidi, Adela; Fortin, Emmanuelle; Larocque, Kariane; Essalhi, Mohamed; Dissem, Nour; Chartrand, Daniel; Maris, Thierry; Duong, Adam","Missing puzzle in crystal engineering: 2-pyridone and [1,3,5]-triazine-2,4-diamine, the two most common cyclic hydrogen bonding sticky sites, in a single core","CrystEngComm","2023","25","6","1018","1028","10.1039/D2CE01505F","","","1.54178","CuKα","","0.0555","0.0427","","","0.1127","0.1227","","","","","","1.025","","","","has coordinates","281445","2023-03-04","18:17:49",""
"7246128","7.8788","0.0003","8.8064","0.0003","8.8494","0.0003","115.81","0.001","99.266","0.002","97.192","0.002","532.2","0.03","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C8 H9 I N6 O -","- C8 H9 I N6 O -","- C16 H18 I2 N12 O2 -","2","1","","Abidi, Adela; Fortin, Emmanuelle; Larocque, Kariane; Essalhi, Mohamed; Dissem, Nour; Chartrand, Daniel; Maris, Thierry; Duong, Adam","Missing puzzle in crystal engineering: 2-pyridone and [1,3,5]-triazine-2,4-diamine, the two most common cyclic hydrogen bonding sticky sites, in a single core","CrystEngComm","2023","25","6","1018","1028","10.1039/D2CE01505F","","","1.54178","CuKα","","0.0433","0.0426","","","0.12","0.1217","","","","","","1.143","","","","has coordinates","281445","2023-03-04","18:17:49",""
"7246129","8.0907","0.0005","8.6941","0.0005","10.2522","0.0007","72.622","0.003","88.326","0.003","68.746","0.003","638.89","0.07","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C11 H16 N6 O3 -","- C11 H16 N6 O3 -","- C22 H32 N12 O6 -","2","1","","Abidi, Adela; Fortin, Emmanuelle; Larocque, Kariane; Essalhi, Mohamed; Dissem, Nour; Chartrand, Daniel; Maris, Thierry; Duong, Adam","Missing puzzle in crystal engineering: 2-pyridone and [1,3,5]-triazine-2,4-diamine, the two most common cyclic hydrogen bonding sticky sites, in a single core","CrystEngComm","2023","25","6","1018","1028","10.1039/D2CE01505F","","","1.54178","CuKα","","0.0509","0.0437","","","0.1178","0.1256","","","","","","1.051","","","","has coordinates","281445","2023-03-04","18:17:49",""
"7246130","9.9536","0.0004","10.7657","0.0004","13.1905","0.0005","80.79","0.002","76.962","0.002","63.772","0.002","1232.3","0.09","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C11 H14 N6 O2 -","- C11 H14 N6 O2 -","- C44 H56 N24 O8 -","4","2","","Abidi, Adela; Fortin, Emmanuelle; Larocque, Kariane; Essalhi, Mohamed; Dissem, Nour; Chartrand, Daniel; Maris, Thierry; Duong, Adam","Missing puzzle in crystal engineering: 2-pyridone and [1,3,5]-triazine-2,4-diamine, the two most common cyclic hydrogen bonding sticky sites, in a single core","CrystEngComm","2023","25","6","1018","1028","10.1039/D2CE01505F","","","1.54178","CuKα","","0.0451","0.0416","","","0.1217","0.1259","","","","","","1.072","","","","has coordinates","281445","2023-03-04","18:17:49",""
"7246131","11.8893","0.0001","18.4452","0.0002","12.5023","0.0001","90","","93.4284","0.0004","90","","2736.85","0.04","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H34 N12 O7 -","- C22 H34 N12 O7 -","- C88 H136 N48 O28 -","4","0.5","","Abidi, Adela; Fortin, Emmanuelle; Larocque, Kariane; Essalhi, Mohamed; Dissem, Nour; Chartrand, Daniel; Maris, Thierry; Duong, Adam","Missing puzzle in crystal engineering: 2-pyridone and [1,3,5]-triazine-2,4-diamine, the two most common cyclic hydrogen bonding sticky sites, in a single core","CrystEngComm","2023","25","6","1018","1028","10.1039/D2CE01505F","","","1.54178","CuKα","","0.0381","0.0374","","","0.0987","0.0998","","","","","","1.07","","","","has coordinates","281445","2023-03-04","18:17:49",""
"7246132","22.3831","0.0005","6.8419","0.0002","20.4027","0.0005","90","","115.981","0.0014","90","","2808.77","0.13","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H18 N6 O4 -","- C11 H18 N6 O4 -","- C88 H144 N48 O32 -","8","1","","Abidi, Adela; Fortin, Emmanuelle; Larocque, Kariane; Essalhi, Mohamed; Dissem, Nour; Chartrand, Daniel; Maris, Thierry; Duong, Adam","Missing puzzle in crystal engineering: 2-pyridone and [1,3,5]-triazine-2,4-diamine, the two most common cyclic hydrogen bonding sticky sites, in a single core","CrystEngComm","2023","25","6","1018","1028","10.1039/D2CE01505F","","","1.54178","CuKα","","0.0351","0.0337","","","0.0899","0.0916","","","","","","1.035","","","","has coordinates","281445","2023-03-04","18:17:49",""
"7246133","8.6213","0.0005","36.7554","0.0016","9.9466","0.0006","90","","113.343","0.007","90","","2893.9","0.3","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H28 N2 O6 -","- C35 H28 N2 O6 -","- C140 H112 N8 O24 -","4","1","","Kusumoto, Sotaro; Sato, Kei; Muraie, Kouki; Masuda, Shunya; Rakumitsu, Kenta; Kim, Yang; Koide, Yoshihiro","Photosalient ionic cocrystal composed of trimesic acid and 4-styrylpyridine","CrystEngComm","2023","25","6","909","912","10.1039/D2CE01592G","","","0.71073","MoKα","","0.0989","0.0633","","","0.1399","0.1597","","","","","","1.075","","","","has coordinates,has disorder","281447","2023-03-04","18:18:13",""
"7246140","7.908","0.0006","9.8092","0.0005","17.5752","0.0009","86.93","0.004","78.372","0.005","69.784","0.006","1252.89","0.14","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C33 H24 O8 -","- C33 H24 O8 -","- C66 H48 O16 -","2","1","","Podda, Enrico; Arca, Massimiliano; Pintus, Anna; Lippolis, Vito; Caltagirone, Claudia; Coles, Simon J.; Orton, James B.; Ennas, Guido; Picci, Giacomo; Davies, Robert P.; Aragoni, M. Carla","On the role of torsional dynamics in the solid-state fluorescent properties of a new bifluorene–tetracarboxylic acid and its supramolecular assemblies: a structural and TD-DFT investigation","CrystEngComm","2023","25","7","1058","1066","10.1039/D2CE01552H","","x-ray","1.54184","CuKα","","0.0672","0.0527","","","0.146","0.1547","","","","","","1.059","","","","has coordinates","281452","2023-03-04","18:19:26",""
"7246141","27.4335","0.0007","18.9368","0.0006","12.766","0.0005","90","","90","","90","","6632","0.4","100","0.1","100","0.1","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C33 H26 Cd2 O11 -","- C33 H26 Cd2 O11 -","- C264 H208 Cd16 O88 -","8","1","","Podda, Enrico; Arca, Massimiliano; Pintus, Anna; Lippolis, Vito; Caltagirone, Claudia; Coles, Simon J.; Orton, James B.; Ennas, Guido; Picci, Giacomo; Davies, Robert P.; Aragoni, M. Carla","On the role of torsional dynamics in the solid-state fluorescent properties of a new bifluorene–tetracarboxylic acid and its supramolecular assemblies: a structural and TD-DFT investigation","CrystEngComm","2023","25","7","1058","1066","10.1039/D2CE01552H","","x-ray","1.54184","CuKα","","0.0889","0.065","","","0.1674","0.1821","","","","","","1.045","","","","has coordinates","281452","2023-03-04","18:19:26",""
"7246142","7.794","0.0003","14.7078","0.0006","15.9272","0.0006","67.884","0.004","86.175","0.003","82.86","0.003","1677.93","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H36 Cd2 O16 -","- C33 H36 Cd2 O16 -","- C66 H72 Cd4 O32 -","2","1","","Podda, Enrico; Arca, Massimiliano; Pintus, Anna; Lippolis, Vito; Caltagirone, Claudia; Coles, Simon J.; Orton, James B.; Ennas, Guido; Picci, Giacomo; Davies, Robert P.; Aragoni, M. Carla","On the role of torsional dynamics in the solid-state fluorescent properties of a new bifluorene–tetracarboxylic acid and its supramolecular assemblies: a structural and TD-DFT investigation","CrystEngComm","2023","25","7","1058","1066","10.1039/D2CE01552H","","","0.71075","MoKα","","0.0588","0.0441","","","0.1019","0.1076","","","","","","1.035","","","","has coordinates","281452","2023-03-04","18:19:26",""
"7246143","8.7984","0.0001","16.7929","0.0002","16.479","0.0002","90","","98.082","0.001","90","","2410.6","0.05","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H20 Br4 -","- C29 H20 Br4 -","- C116 H80 Br16 -","4","1","","Podda, Enrico; Arca, Massimiliano; Pintus, Anna; Lippolis, Vito; Caltagirone, Claudia; Coles, Simon J.; Orton, James B.; Ennas, Guido; Picci, Giacomo; Davies, Robert P.; Aragoni, M. Carla","On the role of torsional dynamics in the solid-state fluorescent properties of a new bifluorene–tetracarboxylic acid and its supramolecular assemblies: a structural and TD-DFT investigation","CrystEngComm","2023","25","7","1058","1066","10.1039/D2CE01552H","","","0.71075","MoKα","","0.0247","0.0208","","","0.0497","0.0509","","","","","","1.05","","","","has coordinates","281452","2023-03-04","18:19:26",""
"7246155","10.493","0.005","15.94","0.005","28.368","0.005","95.591","0.005","94.067","0.005","102.427","0.005","4591","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H60 Ca2 N24 O34 S4 -","- C64 H60 Ca2 N24 O34 S4 -","- C128 H120 Ca4 N48 O68 S8 -","2","1","","Chen, Kai; Zhu, Zhao-Qiang; Zhang, Ming-Hui; Yang, Xiang; Li, Jie; Chen, Chen; Redshaw, Carl","4,4′-Biphenyldisulfonic acid induced coordination polymers of symmetrical tetramethyl cucurbit[6]uril with alkaline-earth metals for detection of antibiotics","CrystEngComm","2023","25","6","961","970","10.1039/D2CE01470J","","","0.71069","MoKα","","0.1151","0.0681","","","0.1798","0.2001","","","","","","1.024","","","","has coordinates","281449","2023-03-04","18:18:39",""
"7246156","15.569","0.005","17.153","0.005","19.58","0.005","106.089","0.005","104.52","0.005","103.928","0.005","4585","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H60 Ba2 N24 O31 S4 -","- C64 H60 Ba2 N24 O31 S4 -","- C128 H120 Ba4 N48 O62 S8 -","2","1","","Chen, Kai; Zhu, Zhao-Qiang; Zhang, Ming-Hui; Yang, Xiang; Li, Jie; Chen, Chen; Redshaw, Carl","4,4′-Biphenyldisulfonic acid induced coordination polymers of symmetrical tetramethyl cucurbit[6]uril with alkaline-earth metals for detection of antibiotics","CrystEngComm","2023","25","6","961","970","10.1039/D2CE01470J","","","0.71069","MoKα","","0.0521","0.0377","","","0.0974","0.1033","","","","","","1.024","","","","has coordinates","281449","2023-03-04","18:18:39",""
"7246157","20.282","0.005","15.713","0.005","24.849","0.005","90","0.005","101.101","0.005","90","0.005","7771","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H51 N24 O22 S2 Sr -","- C52 H51 N24 O22 S2 Sr -","- C208 H204 N96 O88 S8 Sr4 -","4","1","","Chen, Kai; Zhu, Zhao-Qiang; Zhang, Ming-Hui; Yang, Xiang; Li, Jie; Chen, Chen; Redshaw, Carl","4,4′-Biphenyldisulfonic acid induced coordination polymers of symmetrical tetramethyl cucurbit[6]uril with alkaline-earth metals for detection of antibiotics","CrystEngComm","2023","25","6","961","970","10.1039/D2CE01470J","","","0.71069","MoKα","","0.1645","0.11","","","0.2208","0.2387","","","","","","1.015","","","","has coordinates","281449","2023-03-04","18:18:39",""
"7246180","12.3693","0.0007","13.7755","0.0008","13.7884","0.0008","66.873","0.002","73.72","0.002","84.454","0.002","2073.8","0.2","279","2","279","","","","","","","","","7","P -1","-P 1","2","","","","- C52 H51 Co2 N16 O54 P W12 -","- C52 H50 Co2 N16 O54 P W12 -","- C52 H50 Co2 N16 O54 P W12 -","1","0.5","","Yu, Xiao-Yang; Lv, Yanxin; Weng, Xiaoyu; Geng, Jiaqi; Yang, Yanyan; Jin, Hua; Cui, Hao; Fu, Bo; Qu, Xiaoshu; Shi, Hongfei; Cao, Xueling","Five new multifunctional inorganic–organic hybrids based on Keggin-type polyoxometalates and a 3,5-di(1H-imidazol-1-yl)benzoic acid ligand","CrystEngComm","2023","25","15","2185","2195","10.1039/D2CE01634F","","","0.71076","MoKα","","0.0636","0.057","","","0.1542","0.1596","","","","","","1.07","","","","has coordinates,has disorder","283220","2023-05-05","01:31:40",""
"7246181","13.2416","0.0015","13.5875","0.0017","16.296","0.002","87.365","0.005","74.269","0.004","88.263","0.005","2818.7","0.6","147","2","147","","","","","","","","","7","P -1","-P 1","2","","","","- C26 H26 Ag Mo12 N8 O46 P -","- C26 H26 Ag Mo12 N8 O46 P -","- C52 H52 Ag2 Mo24 N16 O92 P2 -","2","1","","Yu, Xiao-Yang; Lv, Yanxin; Weng, Xiaoyu; Geng, Jiaqi; Yang, Yanyan; Jin, Hua; Cui, Hao; Fu, Bo; Qu, Xiaoshu; Shi, Hongfei; Cao, Xueling","Five new multifunctional inorganic–organic hybrids based on Keggin-type polyoxometalates and a 3,5-di(1H-imidazol-1-yl)benzoic acid ligand","CrystEngComm","2023","25","15","2185","2195","10.1039/D2CE01634F","","","0.71076","MoKα","","0.0503","0.0357","","","0.0747","0.0822","","","","","","1.051","","","","has coordinates","283220","2023-05-05","01:31:41",""
"7246182","13.2571","0.0005","13.5874","0.0004","16.3513","0.0006","87.088","0.001","74.542","0.001","88.095","0.001","2834.55","0.17","293","2","293","","","","","","","","","7","P -1","-P 1","2","","","","- C26 H26 Ag N8 O46 P W12 -","- C26 H26 Ag N8 O46 P W12 -","- C52 H52 Ag2 N16 O92 P2 W24 -","2","1","","Yu, Xiao-Yang; Lv, Yanxin; Weng, Xiaoyu; Geng, Jiaqi; Yang, Yanyan; Jin, Hua; Cui, Hao; Fu, Bo; Qu, Xiaoshu; Shi, Hongfei; Cao, Xueling","Five new multifunctional inorganic–organic hybrids based on Keggin-type polyoxometalates and a 3,5-di(1H-imidazol-1-yl)benzoic acid ligand","CrystEngComm","2023","25","15","2185","2195","10.1039/D2CE01634F","","","0.71076","MoKα","","0.0558","0.0345","","","0.0622","0.0707","","","","","","1.082","","","","has coordinates","283220","2023-05-05","01:31:41",""
"7246183","13.1265","0.0005","13.5756","0.0005","16.1574","0.0007","87.674","0.002","74.37","0.002","87.989","0.002","2769.62","0.19","147","2","147","","","","","","","","","7","P -1","-P 1","2","","triclinic","","- C26 H27 Ag Mo12 N8 O46 Si -","- C26 H26 Ag Mo12 N8 O46 Si -","- C52 H52 Ag2 Mo24 N16 O92 Si2 -","2","1","","Yu, Xiao-Yang; Lv, Yanxin; Weng, Xiaoyu; Geng, Jiaqi; Yang, Yanyan; Jin, Hua; Cui, Hao; Fu, Bo; Qu, Xiaoshu; Shi, Hongfei; Cao, Xueling","Five new multifunctional inorganic–organic hybrids based on Keggin-type polyoxometalates and a 3,5-di(1H-imidazol-1-yl)benzoic acid ligand","CrystEngComm","2023","25","15","2185","2195","10.1039/D2CE01634F","","x-ray","0.71076","MoKα","","0.0621","0.0435","","","0.1091","0.1235","","","","","","1.059","","","","has coordinates","283220","2023-05-05","01:31:41",""
"7246184","17.2241","0.0011","13.6928","0.0007","17.4462","0.0011","90","","97.709","0.002","90","","4077.4","0.4","295","2","295.15","","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C52 H47 N16 Ni2 O52 P W12 -","- C52 H46 N16 Ni2 O52 P W12 -","- C104 H92 N32 Ni4 O104 P2 W24 -","2","0.5","","Yu, Xiao-Yang; Lv, Yanxin; Weng, Xiaoyu; Geng, Jiaqi; Yang, Yanyan; Jin, Hua; Cui, Hao; Fu, Bo; Qu, Xiaoshu; Shi, Hongfei; Cao, Xueling","Five new multifunctional inorganic–organic hybrids based on Keggin-type polyoxometalates and a 3,5-di(1H-imidazol-1-yl)benzoic acid ligand","CrystEngComm","2023","25","15","2185","2195","10.1039/D2CE01634F","","","0.71076","MoKα","","0.0979","0.0956","","","0.2655","0.2672","","","","","","1.188","","","","has coordinates","283220","2023-05-05","01:31:41",""
"7246190","7.9637","0.0002","9.4953","0.0002","17.6571","0.0004","104.23","0.0006","95.441","0.0007","97.9255","0.0007","1270.29","0.05","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H28 N8 O7 -","- C23 H28 N8 O7 -","- C46 H56 N16 O14 -","2","1","","Surampudi, Anuja Venkata Sai Durga; Ramakrishna, Sistla; Pallavi, Alegete; Balasubramanian, Sridhar","Novel salts and cocrystals of the antifolate drug trimethoprim and their role in the enhancement of solubility and dissolution","CrystEngComm","2023","25","8","1220","1231","10.1039/D2CE01436J","","","0.71073","MoKα","","0.0526","0.045","","","0.1181","0.1261","","","","","","1.028","","","","has coordinates","281412","2023-03-04","18:09:32",""
"7246191","8.5911","0.0002","8.6242","0.0002","13.5809","0.0003","105.737","0.0006","90.1053","0.0006","93.157","0.0006","966.89","0.04","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H21 F N6 O5 -","- C18 H21 F N6 O5 -","- C36 H42 F2 N12 O10 -","2","1","","Surampudi, Anuja Venkata Sai Durga; Ramakrishna, Sistla; Pallavi, Alegete; Balasubramanian, Sridhar","Novel salts and cocrystals of the antifolate drug trimethoprim and their role in the enhancement of solubility and dissolution","CrystEngComm","2023","25","8","1220","1231","10.1039/D2CE01436J","","","0.71073","MoKα","","0.042","0.0364","","","0.0938","0.0995","","","","","","1.068","","","","has coordinates","281412","2023-03-04","18:09:32",""
"7246192","9.0355","0.0006","10.9956","0.0007","11.9267","0.0007","108.007","0.0018","111.568","0.0018","99.678","0.002","993.38","0.11","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H24 N4 O5 -","- C20 H24 N4 O5 -","- C40 H48 N8 O10 -","2","1","","Surampudi, Anuja Venkata Sai Durga; Ramakrishna, Sistla; Pallavi, Alegete; Balasubramanian, Sridhar","Novel salts and cocrystals of the antifolate drug trimethoprim and their role in the enhancement of solubility and dissolution","CrystEngComm","2023","25","8","1220","1231","10.1039/D2CE01436J","","","0.71073","MoKα","","0.081","0.0492","","","0.1254","0.1476","","","","","","1.042","","","","has coordinates","281412","2023-03-04","18:09:32",""
"7246193","11.2418","0.0011","16.0951","0.0015","24.413","0.003","90","","99.814","0.003","90","","4352.6","0.8","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H52 N12 O12 -","- C38 H52 N12 O12 -","- C152 H208 N48 O48 -","4","1","","Surampudi, Anuja Venkata Sai Durga; Ramakrishna, Sistla; Pallavi, Alegete; Balasubramanian, Sridhar","Novel salts and cocrystals of the antifolate drug trimethoprim and their role in the enhancement of solubility and dissolution","CrystEngComm","2023","25","8","1220","1231","10.1039/D2CE01436J","","","0.71073","MoKα","","0.095","0.0612","","","0.1595","0.1932","","","","","","1.023","","","","has coordinates","281412","2023-03-04","18:09:32",""
"7246194","9.2745","0.0002","9.8947","0.0002","13.565","0.0002","83.663","0.001","81.113","0.002","72.576","0.002","1170.74","0.04","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H18 O2 S -","- C27 H18 O2 S -","- C54 H36 O4 S2 -","2","1","","Chakraborty, Madhuparna; Chakravarty, Manab","Flanking-donor-controlled diversity in mechanical-force-induced reversible fluorochromism and enhanced emission for carboxylic acid and ester linked solid-state emitters","CrystEngComm","2023","25","7","1126","1135","10.1039/D2CE01378A","","x-ray","1.54184","CuKα","","0.0426","0.0402","","","0.1227","0.1249","","","","","","1.093","","","","has coordinates,has disorder","281451","2023-03-04","18:19:11",""
"7246195","8.9516","0.0004","10.6649","0.0005","12.0474","0.0004","81.82","0.003","77.034","0.003","67.133","0.004","1030.78","0.08","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H10 O S0.5 -","- C14 H10 O S0.5 -","- C56 H40 O4 S2 -","4","2","","Chakraborty, Madhuparna; Chakravarty, Manab","Flanking-donor-controlled diversity in mechanical-force-induced reversible fluorochromism and enhanced emission for carboxylic acid and ester linked solid-state emitters","CrystEngComm","2023","25","7","1126","1135","10.1039/D2CE01378A","","x-ray","1.54184","CuKα","","0.0578","0.0543","","","0.1593","0.1648","","","","","","1.08","","","","has coordinates","281451","2023-03-04","18:19:12",""
"7246196","12.0602","0.0004","8.4487","0.0003","23.7592","0.0008","90","","92.455","0.003","90","","2418.67","0.14","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H26 O4 -","- C32 H26 O4 -","- C128 H104 O16 -","4","2","","Chakraborty, Madhuparna; Chakravarty, Manab","Flanking-donor-controlled diversity in mechanical-force-induced reversible fluorochromism and enhanced emission for carboxylic acid and ester linked solid-state emitters","CrystEngComm","2023","25","7","1126","1135","10.1039/D2CE01378A","","x-ray","1.54184","CuKα","","0.0725","0.0687","","","0.1984","0.2006","","","","","","1.078","","","","has coordinates","281451","2023-03-04","18:19:12",""
"7246197","15.2306","0.0002","33.5647","0.0005","9.1666","0.0001","90","","93.316","0.001","90","","4678.22","0.11","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H24 O4 -","- C31 H24 O4 -","- C248 H192 O32 -","8","2","","Chakraborty, Madhuparna; Chakravarty, Manab","Flanking-donor-controlled diversity in mechanical-force-induced reversible fluorochromism and enhanced emission for carboxylic acid and ester linked solid-state emitters","CrystEngComm","2023","25","7","1126","1135","10.1039/D2CE01378A","","x-ray","1.54184","CuKα","","0.071","0.0581","","","0.1544","0.1617","","","","","","1.037","","","","has coordinates","281451","2023-03-04","18:19:12",""
"7246198","14.866","0.005","16.411","0.005","17.012","0.005","90","0.005","90","0.005","90","0.005","4150","2","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C19 H16 N4 Ni O2 S2 Zn -","- C19 H16 N4 Ni O2 S2 Zn -","- C152 H128 N32 Ni8 O16 S16 Zn8 -","8","1","","Das, Lakshmi Kanta; Bhunia, Pradip; Gomila, Rosa M.; Frontera, Antonio; Ghosh, Ashutosh","Influence of non-covalent interactions on the coordination geometry of Ni(ii) in Ni(ii)–M(ii) complexes (M = Zn and Hg) with a salen-type N2O2 Schiff base ligand and thiocyanate ion as the coligand","CrystEngComm","2023","25","9","1393","1402","10.1039/D2CE01632J","","","0.71073","MoKα","","0.0431","0.0283","","","0.0624","0.0685","","","","","","1.014","","","","has coordinates","281455","2023-03-04","18:20:22",""
"7246199","9.222","0.005","9.277","0.005","13.294","0.005","75.339","0.005","74.263","0.005","72.671","0.005","1026.5","0.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H32 Hg2 N8 Ni2 O4 S4 -","- C38 H32 Hg2 N8 Ni2 O4 S4 -","- C38 H32 Hg2 N8 Ni2 O4 S4 -","1","0.5","","Das, Lakshmi Kanta; Bhunia, Pradip; Gomila, Rosa M.; Frontera, Antonio; Ghosh, Ashutosh","Influence of non-covalent interactions on the coordination geometry of Ni(ii) in Ni(ii)–M(ii) complexes (M = Zn and Hg) with a salen-type N2O2 Schiff base ligand and thiocyanate ion as the coligand","CrystEngComm","2023","25","9","1393","1402","10.1039/D2CE01632J","","","0.71073","MoKα","","0.0525","0.0412","","","0.1092","0.1165","","","","","","1.049","","","","has coordinates","281455","2023-03-04","18:20:32",""
"7246202","19.4327","0.0011","9.488","0.0006","35.303","0.002","90","","90","","90","","6509.1","0.7","294.72","","294.72","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C64 H54 Co2 N8 O15 S2 -","- C64 H54 Co2 N8 O15 S2 -","- C256 H216 Co8 N32 O60 S8 -","4","0.5","","Wang, Xiuli; Wang, Yue; Xu, Na; Ma, Jianxin; Liu, Guocheng","Electrochemical and fluorescence sensing performance of four new coordination polymers tuned by different metal ions and dicarboxylic acids","CrystEngComm","2023","25","7","1186","1192","10.1039/D2CE01484J","","x-ray","1.54178","CuKα","K-L~3~","0.1424","0.1054","","","0.2906","0.3188","","","","","","1.074","","","","has coordinates","281453","2023-03-04","18:19:39",""
"7246203","9.2921","0.0003","13.1111","0.0004","13.6693","0.0005","76.752","0.001","73.666","0.001","80.394","0.001","1546.2","0.09","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H30 N4 Ni O10 S -","- C32 H30 N4 Ni O10 S -","- C64 H60 N8 Ni2 O20 S2 -","2","1","","Wang, Xiuli; Wang, Yue; Xu, Na; Ma, Jianxin; Liu, Guocheng","Electrochemical and fluorescence sensing performance of four new coordination polymers tuned by different metal ions and dicarboxylic acids","CrystEngComm","2023","25","7","1186","1192","10.1039/D2CE01484J","","x-ray","0.71073","MoKα","K-L~3~","0.0342","0.0286","","","0.0747","0.0777","","","","","","1.042","","","","has coordinates","281453","2023-03-04","18:19:39",""
"7246204","9.2776","0.0003","13.4671","0.0005","13.8215","0.0005","75.836","0.001","75.089","0.001","79.265","0.001","1603.94","0.1","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H30 Cd N4 O10 S -","- C32 H30 Cd N4 O10 S -","- C64 H60 Cd2 N8 O20 S2 -","2","1","","Wang, Xiuli; Wang, Yue; Xu, Na; Ma, Jianxin; Liu, Guocheng","Electrochemical and fluorescence sensing performance of four new coordination polymers tuned by different metal ions and dicarboxylic acids","CrystEngComm","2023","25","7","1186","1192","10.1039/D2CE01484J","","x-ray","0.71073","MoKα","K-L~3~","0.058","0.043","","","0.0754","0.0833","","","","","","1.146","","","","has coordinates","281453","2023-03-04","18:19:39",""
"7246205","13.0347","0.0006","15.9789","0.0008","16.0282","0.0007","70.535","0.001","79.28","0.001","87.925","0.001","3091.4","0.3","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H27.75 N4 O8 S Zn -","- C32 H27 N4 O7.75 S Zn -","- C128 H108 N16 O31 S4 Zn4 -","4","2","","Wang, Xiuli; Wang, Yue; Xu, Na; Ma, Jianxin; Liu, Guocheng","Electrochemical and fluorescence sensing performance of four new coordination polymers tuned by different metal ions and dicarboxylic acids","CrystEngComm","2023","25","7","1186","1192","10.1039/D2CE01484J","","x-ray","0.71073","MoKα","K-L~3~","0.0979","0.0462","","","0.0953","0.1131","","","","","","1.005","","","","has coordinates","281453","2023-03-04","18:19:39",""
"7246219","3.958","0.0002","18.2868","0.0008","20.5693","0.0008","90","","90","","90","","1488.79","0.12","296","2","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 N O4 -","- C18 H15 N O4 -","- C72 H60 N4 O16 -","4","1","","Yang, Ying; Zhao, Jianjuan; Zhang, Xinyuan; Hu, Zhanggui; Wu, Yicheng","Synthesis and characterization of a new isoxazolone-based nonlinear optical crystal: MPMOI","CrystEngComm","2023","25","8","1313","1318","10.1039/D2CE01299E","","","1.54178","CuKα","","0.0516","0.0432","","","0.0967","0.1045","","","","","","1.099","","","","has coordinates","281410","2023-03-04","18:08:58",""
"7246220","19.0475","0.0014","7.487","0.0005","7.5538","0.0005","90","","96.033","0.006","90","","1071.27","0.13","292.97","0.1","292.97","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 Cd Cl4 F2 N2 -","- C16 Cd Cl4 F2 N2 -","- C32 Cd2 Cl8 F4 N4 -","2","0.5","","Yue, Zhi-Yuan; Luo, Wang; Wang, Na; Li, Hua-Kai; Xu, Ze-Jiang; Feng, Yan; Shi, Chao; Ye, Heng-Yun; Miao, Le-Ping","Two-dimensional organic–inorganic hybrid perovskite ferroelastics: (PEA)2[CdCl4], (3-FPEA)2[CdCl4], and (4-FPEA)2[CdCl4]","CrystEngComm","2023","25","8","1270","1275","10.1039/D2CE01390H","","x-ray","0.71073","MoKα","","0.1095","0.0959","","","0.271","0.2856","","","","","","1.149","","","","has coordinates,has disorder","281415","2023-03-04","18:10:24",""
"7246221","5.3186","0.0004","5.3186","0.0004","40.261","0.008","90","","90","","90","","1138.9","0.3","403.02","0.1","403.02","0.1","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C16 Cd Cl4 F2 N2 -","- C16 Cd Cl4 F2 N2 -","- C32 Cd2 Cl8 F4 N4 -","2","0.0625","","Yue, Zhi-Yuan; Luo, Wang; Wang, Na; Li, Hua-Kai; Xu, Ze-Jiang; Feng, Yan; Shi, Chao; Ye, Heng-Yun; Miao, Le-Ping","Two-dimensional organic–inorganic hybrid perovskite ferroelastics: (PEA)2[CdCl4], (3-FPEA)2[CdCl4], and (4-FPEA)2[CdCl4]","CrystEngComm","2023","25","8","1270","1275","10.1039/D2CE01390H","","x-ray","0.71073","MoKα","","0.0525","0.0483","","","0.1316","0.1353","","","","","","1.138","","","","has coordinates,has disorder","281415","2023-03-04","18:10:24",""
"7246222","5.3091","0.0001","5.3091","0.0001","39.5281","0.0018","90","","90","","90","","1114.16","0.06","403","0.1","403.15","","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- C16 Cd Cl4 N2 -","- C16 Cd Cl4 N2 -","- C32 Cd2 Cl8 N4 -","2","0.0625","","Yue, Zhi-Yuan; Luo, Wang; Wang, Na; Li, Hua-Kai; Xu, Ze-Jiang; Feng, Yan; Shi, Chao; Ye, Heng-Yun; Miao, Le-Ping","Two-dimensional organic–inorganic hybrid perovskite ferroelastics: (PEA)2[CdCl4], (3-FPEA)2[CdCl4], and (4-FPEA)2[CdCl4]","CrystEngComm","2023","25","8","1270","1275","10.1039/D2CE01390H","","","0.71073","MoKα","","0.0331","0.0313","","","0.0836","0.0842","","","","","","1.116","","","","has coordinates,has disorder","281415","2023-03-04","18:10:24",""
"7246223","20.0721","0.0017","7.3523","0.0006","7.4427","0.0005","90","","94.274","0.007","90","","1095.31","0.15","293","0.1","293","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 Cd Cl4 F2 N2 -","- C16 H22 Cd Cl4 F2 N2 -","- C32 H44 Cd2 Cl8 F4 N4 -","2","0.5","","Yue, Zhi-Yuan; Luo, Wang; Wang, Na; Li, Hua-Kai; Xu, Ze-Jiang; Feng, Yan; Shi, Chao; Ye, Heng-Yun; Miao, Le-Ping","Two-dimensional organic–inorganic hybrid perovskite ferroelastics: (PEA)2[CdCl4], (3-FPEA)2[CdCl4], and (4-FPEA)2[CdCl4]","CrystEngComm","2023","25","8","1270","1275","10.1039/D2CE01390H","","x-ray","0.71073","MoKα","","0.0514","0.0419","","","0.1071","0.1133","","","","","","0.993","","","","has coordinates","281415","2023-03-04","18:10:24",""
"7246224","5.2977","0.0002","5.2977","0.0002","40.592","0.003","90","","90","","90","","1139.24","0.1","408.01","0.1","408.15","","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C16 Cd Cl4 F2 N2 -","- C16 Cd Cl4 F2 N2 -","- C32 Cd2 Cl8 F4 N4 -","2","0.0625","","Yue, Zhi-Yuan; Luo, Wang; Wang, Na; Li, Hua-Kai; Xu, Ze-Jiang; Feng, Yan; Shi, Chao; Ye, Heng-Yun; Miao, Le-Ping","Two-dimensional organic–inorganic hybrid perovskite ferroelastics: (PEA)2[CdCl4], (3-FPEA)2[CdCl4], and (4-FPEA)2[CdCl4]","CrystEngComm","2023","25","8","1270","1275","10.1039/D2CE01390H","","","0.71073","MoKα","","0.051","0.0505","","","0.1354","0.1362","","","","","","1.27","","","","has coordinates,has disorder","281415","2023-03-04","18:10:24",""
"7246225","7.3756","0.0005","7.4398","0.0005","38.942","0.002","90","","90","","90","","2136.9","0.2","293.01","0.1","293.01","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H24 Cd Cl4 N2 -","- C16 H24 Cd Cl4 N2 -","- C64 H96 Cd4 Cl16 N8 -","4","0.5","","Yue, Zhi-Yuan; Luo, Wang; Wang, Na; Li, Hua-Kai; Xu, Ze-Jiang; Feng, Yan; Shi, Chao; Ye, Heng-Yun; Miao, Le-Ping","Two-dimensional organic–inorganic hybrid perovskite ferroelastics: (PEA)2[CdCl4], (3-FPEA)2[CdCl4], and (4-FPEA)2[CdCl4]","CrystEngComm","2023","25","8","1270","1275","10.1039/D2CE01390H","","x-ray","0.71073","MoKα","","0.075","0.0543","","","0.1294","0.1406","","","","","","1.108","","","","has coordinates","281415","2023-03-04","18:10:24",""
"7246227","17.7039","0.0011","19.5216","0.0012","5.51938","0.00027","90","","91.1706","0.0027","90","","1907.15","0.19","","","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Fenbendazole - Maleic acid","","- C19 H17 N3 O6 S -","- C19 H17 N3 O6 S -","- C76 H68 N12 O24 S4 -","4","1","","Surov, Artem O.; Vasilev, Nikita A.; Magdysyuk, Oxana V.; Perlovich, German L.; Varlamova, Anastasiya I.; Arkhipov, Ivan A.; Odoevskaya, Irina M.","Structural features, dissolution performance and anthelmintic efficacy of multicomponent solid forms of fenbendazole with maleic and oxalic acids","CrystEngComm","2023","25","8","1301","1312","10.1039/D2CE01644C","","","0.22826","","","","","","","","","","","","","","0.246","","","","has coordinates","281413","2023-03-04","18:09:39",""
"7246228","26.15106","0.0009","5.62505","0.00016","16.88572","0.0004","90","","46.3627","0.0019","90","","1797.66","0.11","","","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Fenbendazole - Oxalic acid","","- C17 H15 N3 O6 S -","- C17 H15 N3 O6 S -","- C68 H60 N12 O24 S4 -","4","1","","Surov, Artem O.; Vasilev, Nikita A.; Magdysyuk, Oxana V.; Perlovich, German L.; Varlamova, Anastasiya I.; Arkhipov, Ivan A.; Odoevskaya, Irina M.","Structural features, dissolution performance and anthelmintic efficacy of multicomponent solid forms of fenbendazole with maleic and oxalic acids","CrystEngComm","2023","25","8","1301","1312","10.1039/D2CE01644C","","","0.22826","","","","","","","","","","","","","","0.5","","","","has coordinates","281413","2023-03-04","18:09:39",""
"7246238","14.2119","0.0004","9.8544","0.0003","14.989","0.0004","90","","104.136","0.001","90","","2035.64","0.1","","","","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C20 H12 N2 O5 Zn -","- C20 H12 N2 O5 Zn -","- C80 H48 N8 O20 Zn4 -","4","1","","Bej, Sourav; Das, Riyanka; Kundu, Debojyoti; Pal, Tapan K.; Banerjee, Priyabrata","A de novo strategy for the development of a ZnII–organic framework based luminescent “switch-on” assay for size-exclusive sensitization of the oxidised form of glutathione (GSSG) over the reduced form (GSH): insights into the sensing mechanism through DFT","CrystEngComm","2023","25","11","1626","1636","10.1039/D2CE01600A","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","282328","2023-04-04","10:13:32",""
"7246239","13.635","0.018","21.87","0.02","17.252","0.018","90","","111.89","0.05","90","","4774","9","193","","193","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 Fe2 N6 O12 -","- C12 H12 Fe2 N6 O12 -","- C48 H48 Fe8 N24 O48 -","4","0.5","","Tang, Wenlei; Shao, Zhen-Wu; Xiong, Li; Zhang, Zhiyuan; Tan, Kaiyuan; Feng, Xuan; Wu, Wenjing; Liu, Chong","A siderophore-inspired two-dimensional Fe–hydroxamate metal–organic framework","CrystEngComm","2023","25","10","1462","1466","10.1039/D3CE00022B","","x-ray","1.34139","GaKα","","0.1491","0.0922","","","0.282","0.3227","","","","","","0.965","","","","has coordinates,has disorder","282315","2023-04-04","10:08:32",""
"7246240","17.628","0.002","5.4719","0.0007","21.601","0.003","90","","96.194","0.002","90","","2071.4","0.5","100","0.2","100","0.2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C21 H23 Cl2 N O6 -","- C21 H23 Cl2 N O6 -","- C84 H92 Cl8 N4 O24 -","4","1","","Carvalho, Paulo S.; Diniz, Luan F.; Ayala, Alejandro P.","Diastereomeric salts of (S,S)-sertraline with l- and d-tartaric acids: an investigation into chiral supramolecular discrimination","CrystEngComm","2023","25","11","1693","1702","10.1039/D3CE00094J","","","0.71073","MoKα","","0.0449","0.0407","","","0.0885","0.0912","","","","","","1.068","","","","has coordinates,has disorder","282327","2023-04-04","10:13:22",""
"7246241","7.1781","0.0003","7.832","0.0003","41.7968","0.0016","90","","90","","90","","2349.77","0.16","298","0.2","298","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H27 Cl2 N O8 -","- C21 H27 Cl2 N O8 -","- C84 H108 Cl8 N4 O32 -","4","1","","Carvalho, Paulo S.; Diniz, Luan F.; Ayala, Alejandro P.","Diastereomeric salts of (S,S)-sertraline with l- and d-tartaric acids: an investigation into chiral supramolecular discrimination","CrystEngComm","2023","25","11","1693","1702","10.1039/D3CE00094J","","","1.54178","CuKα","","0.0718","0.0597","","","0.1636","0.1764","","","","","","1.039","","","","has coordinates","282327","2023-04-04","10:13:25",""
"7246242","13.356","0.012","13.382","0.012","14.538","0.013","77.483","0.013","75.916","0.013","76.218","0.014","2413","4","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H38 Cd3 N4 O14 -","- C66 H38 Cd3 N4 O14 -","- C66 H38 Cd3 N4 O14 -","1","0.5","","Zhang, Zhi-Hao; Ge, Jia-Lu; Li, Yan; Li, Qing; Ma, Pin-Pin; Tang, Xiao-Yan; Zhang, Wen-Hua; Young, David J.","Two-dimensional Cd3-based metal–organic frameworks with halogen bonding sites for the uptake of I2","CrystEngComm","2023","25","12","1775","1781","10.1039/D2CE01582J","","","0.71073","MoKα","","0.278","0.1078","","","0.1854","0.2082","","","","","","0.947","","","","has coordinates,has disorder","282333","2023-04-04","10:15:23",""
"7246243","12.986","0.006","13","0.007","13.638","0.007","78.032","0.008","78.169","0.007","80.196","0.007","2184.7","1.9","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H46 Cd3 N8 O12 -","- C78 H46 Cd3 N8 O12 -","- C78 H46 Cd3 N8 O12 -","1","0.5","","Zhang, Zhi-Hao; Ge, Jia-Lu; Li, Yan; Li, Qing; Ma, Pin-Pin; Tang, Xiao-Yan; Zhang, Wen-Hua; Young, David J.","Two-dimensional Cd3-based metal–organic frameworks with halogen bonding sites for the uptake of I2","CrystEngComm","2023","25","12","1775","1781","10.1039/D2CE01582J","","","0.71073","MoKα","","0.2405","0.1034","","","0.2081","0.2376","","","","","","1.047","","","","has coordinates,has disorder","282333","2023-04-04","10:15:28",""
"7246244","26.17","0.005","26.17","0.005","43.516","0.014","90","","90","","90","","29803","13","150","2","150","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C312 H300 Mg24 O78 S24 -","- C312 H288 Mg24 O78 S24 -","- C624 H576 Mg48 O156 S48 -","2","0.125","","Zhang, Jiamao; Deng, Yue; Wang, Shentang; Yang, Jun; Hu, Shanshan","A calixarene-based coordination cage as an efficient luminescent sensor for Fe3+, MnO4−, NB and 2,4-DNP in aqueous medium","CrystEngComm","2023","25","10","1495","1500","10.1039/D2CE01508K","","","0.71073","MoKα","","0.0916","0.0752","","","0.2404","0.2535","","","","","","1.138","","","","has coordinates","282318","2023-04-04","10:09:20",""
"7246245","37.5848","0.0003","37.5848","0.0003","37.5848","0.0003","90","","90","","90","","53092.9","0.7","200.01","0.1","200.01","0.1","","","","","","","","7","F m -3 m","-F 4 2 3","225","","","","- C120 H48 B12 Fe6 N36 O68 Zr6 -","- C120 H48 B12 Fe6 N36 O68 Zr6 -","- C480 H192 B48 Fe24 N144 O272 Zr24 -","4","0.0208333","","Shetty, Suchetha; Idrees, Karam B.; Xie, Haomiao; Alameddine, Bassam; Farha, Omar K.","Synthesis of zirconium-based metal–organic frameworks with iron(ii) clathrochelate ligands","CrystEngComm","2023","25","10","1550","1555","10.1039/D2CE01686A","","x-ray","1.54184","CuKα","","0.0879","0.0793","","","0.2163","0.2257","","","","","","1.058","","","","has coordinates,has disorder","282313","2023-04-04","10:08:07",""
"7246246","7.284","0.0013","8.5719","0.0013","13.363","0.002","93.005","0.013","102.411","0.013","92.991","0.013","812","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","phenanthridin-6(5<i>H</i>)-one – perfluorobenzoic acid","","- C20 H10 F5 N O3 -","- C20 H10 F5 N O3 -","- C40 H20 F10 N2 O6 -","2","1","","Alfuth, Jan; Kazimierczuk, Katarzyna; Połoński, Tadeusz; Olszewska, Teresa","Self-assembly of secondary aryl amides in cocrystals with perfluoroaryl coformers: structural analysis and synthon preferences","CrystEngComm","2023","25","9","1403","1410","10.1039/D2CE01710E","","x-ray","0.71073","MoKα","","0.0704","0.0633","","","0.1813","0.1907","","","","","","1.057","","","","has coordinates","281456","2023-03-04","18:20:50",""
"7246247","5.6381","0.001","8.0585","0.0014","23.653","0.004","90","","95.658","0.014","90","","1069.4","0.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","pyridin-2(1<i>H</i>)-one – perfluorophenol","","- C11 H6 F5 N O2 -","- C11 H6 F5 N O2 -","- C44 H24 F20 N4 O8 -","4","1","","Alfuth, Jan; Kazimierczuk, Katarzyna; Połoński, Tadeusz; Olszewska, Teresa","Self-assembly of secondary aryl amides in cocrystals with perfluoroaryl coformers: structural analysis and synthon preferences","CrystEngComm","2023","25","9","1403","1410","10.1039/D2CE01710E","","x-ray","0.71073","MoKα","","0.0667","0.0526","","","0.1418","0.1522","","","","","","1.085","","","","has coordinates","281456","2023-03-04","18:20:50",""
"7246248","7.9484","0.0009","7.1832","0.0005","26.471","0.003","90","","93.279","0.009","90","","1508.9","0.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","benzo[<i>cd</i>]indol-2(1<i>H</i>)-one – perfluorobenzoic acid","","- C18 H8 F5 N O3 -","- C18 H8 F5 N O3 -","- C72 H32 F20 N4 O12 -","4","1","","Alfuth, Jan; Kazimierczuk, Katarzyna; Połoński, Tadeusz; Olszewska, Teresa","Self-assembly of secondary aryl amides in cocrystals with perfluoroaryl coformers: structural analysis and synthon preferences","CrystEngComm","2023","25","9","1403","1410","10.1039/D2CE01710E","","x-ray","0.71073","MoKα","","0.052","0.0455","","","0.13","0.1396","","","","","","1.089","","","","has coordinates","281456","2023-03-04","18:20:50",""
"7246249","13.275","0.002","5.3902","0.0005","16.953","0.002","90","","102.829","0.011","90","","1182.8","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","pyridin-2(1<i>H</i>)-one – perfluorobenzoic acid","","- C12 H6 F5 N O3 -","- C12 H6 F5 N O3 -","- C48 H24 F20 N4 O12 -","4","1","","Alfuth, Jan; Kazimierczuk, Katarzyna; Połoński, Tadeusz; Olszewska, Teresa","Self-assembly of secondary aryl amides in cocrystals with perfluoroaryl coformers: structural analysis and synthon preferences","CrystEngComm","2023","25","9","1403","1410","10.1039/D2CE01710E","","x-ray","0.71073","MoKα","","0.039","0.0355","","","0.0989","0.1025","","","","","","1.047","","","","has coordinates","281456","2023-03-04","18:20:50",""
"7246250","8.615","0.0008","15.9915","0.0014","9.1239","0.0008","90","","103.072","0.008","90","","1224.4","0.19","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","phenanthridin-6(5<i>H</i>)-one – perfluorophenol","","- C32 H18.67 F5 N2 O3 -","- C32 H18.666 F5 N2 O3 -","- C64 H37.332 F10 N4 O6 -","2","0.5","","Alfuth, Jan; Kazimierczuk, Katarzyna; Połoński, Tadeusz; Olszewska, Teresa","Self-assembly of secondary aryl amides in cocrystals with perfluoroaryl coformers: structural analysis and synthon preferences","CrystEngComm","2023","25","9","1403","1410","10.1039/D2CE01710E","","x-ray","0.71073","MoKα","","0.0648","0.0577","","","0.1625","0.1679","","","","","","1.056","","","","has coordinates","281456","2023-03-04","18:20:50",""
"7246251","9.0463","0.0009","11.6765","0.0012","13.7306","0.0014","98.454","0.008","97.155","0.008","100.557","0.008","1393.1","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","benzo[<i>cd</i>]indol-2(1<i>H</i>)-one – perfluorophenol","","- C17 H8 F5 N O2 -","- C17 H8 F5 N O2 -","- C68 H32 F20 N4 O8 -","4","2","","Alfuth, Jan; Kazimierczuk, Katarzyna; Połoński, Tadeusz; Olszewska, Teresa","Self-assembly of secondary aryl amides in cocrystals with perfluoroaryl coformers: structural analysis and synthon preferences","CrystEngComm","2023","25","9","1403","1410","10.1039/D2CE01710E","","x-ray","0.71073","MoKα","","0.0758","0.0659","","","0.177","0.1837","","","","","","1.086","","","","has coordinates,has disorder","281456","2023-03-04","18:20:50",""
"7246252","13.392","0.0012","10.6012","0.0012","14.1313","0.0013","90","","101.079","0.009","90","","1968.8","0.3","170","2","170","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C18 Br4 F10 -","- C18 Br4 F10 -","- C72 Br16 F40 -","4","0.5","","Stoesser, Julian; Engelage, Elric; Belmonte, Debora; Huber, Stefan M.","Just at the limit: binding studies with neutral brominated terphenyl-derived halogen bond donors","CrystEngComm","2023","25","10","1501","1506","10.1039/D2CE01629J","","x-ray","0.71073","MoKα","","0.047","0.0308","","","0.0675","0.0751","","","","","","1.046","","","","has coordinates","282316","2023-04-04","10:08:54",""
"7246253","5.4453","0.0006","7.8772","0.0006","11.0644","0.0009","71.14","0.007","86.893","0.008","79.296","0.008","441.29","0.07","170","2","170","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 Br2 F12 -","- C18 Br2 F12 -","- C18 Br2 F12 -","1","0.5","","Stoesser, Julian; Engelage, Elric; Belmonte, Debora; Huber, Stefan M.","Just at the limit: binding studies with neutral brominated terphenyl-derived halogen bond donors","CrystEngComm","2023","25","10","1501","1506","10.1039/D2CE01629J","","x-ray","0.71073","MoKα","","0.0377","0.0326","","","0.0818","0.0865","","","","","","1.093","","","","has coordinates","282316","2023-04-04","10:08:54",""
"7246254","7.7805","0.0005","12.9312","0.0008","19.6717","0.0014","90","","94.599","0.007","90","","1972.8","0.2","170","2","170","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 Br4 F10 -","- C18 Br4 F10 -","- C72 Br16 F40 -","4","1","","Stoesser, Julian; Engelage, Elric; Belmonte, Debora; Huber, Stefan M.","Just at the limit: binding studies with neutral brominated terphenyl-derived halogen bond donors","CrystEngComm","2023","25","10","1501","1506","10.1039/D2CE01629J","","x-ray","0.71073","MoKα","","0.0466","0.033","","","0.0756","0.0822","","","","","","1.021","","","","has coordinates","282316","2023-04-04","10:08:54",""
"7246255","21.3852","0.0016","20.391","0.002","7.5673","0.0006","90","","94.255","0.007","90","","3290.7","0.5","170","2","170","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H18 Br4 F10 I N3 -","- C27 H18 Br4 F10 I0.9998 N3 -","- C108 H72 Br16 F40 I3.9992 N12 -","4","0.5","","Stoesser, Julian; Engelage, Elric; Belmonte, Debora; Huber, Stefan M.","Just at the limit: binding studies with neutral brominated terphenyl-derived halogen bond donors","CrystEngComm","2023","25","10","1501","1506","10.1039/D2CE01629J","","x-ray","0.71073","MoKα","","0.0573","0.0459","","","0.1231","0.1355","","","","","","1.026","","","","has coordinates,has disorder","282316","2023-04-04","10:08:54",""
"7246256","7.8665","0.0002","20.2579","0.0003","22.278","0.0004","90","","90","","90","","3550.19","0.12","170","2","169.99","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 Br2 F12 -","- C18 Br2 F12 -","- C144 Br16 F96 -","8","1","","Stoesser, Julian; Engelage, Elric; Belmonte, Debora; Huber, Stefan M.","Just at the limit: binding studies with neutral brominated terphenyl-derived halogen bond donors","CrystEngComm","2023","25","10","1501","1506","10.1039/D2CE01629J","","x-ray","1.54184","CuKα","","0.0523","0.0471","","","0.1051","0.1074","","","","","","1.188","","","","has coordinates,has disorder","282316","2023-04-04","10:08:54",""
"7246257","20.3907","0.0004","7.6801","0.0001","42.938","0.001","90","","90","","90","","6724.2","0.2","170","2","169.99","0.1","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C27 H18 Br4 F10 I N3 -","- C27 H18 Br4 F10 I N3 -","- C216 H144 Br32 F80 I8 N24 -","8","1","","Stoesser, Julian; Engelage, Elric; Belmonte, Debora; Huber, Stefan M.","Just at the limit: binding studies with neutral brominated terphenyl-derived halogen bond donors","CrystEngComm","2023","25","10","1501","1506","10.1039/D2CE01629J","","x-ray","1.54184","CuKα","","0.0501","0.0442","","","0.1022","0.1051","","","","","","1.145","","","","has coordinates,has disorder","282316","2023-04-04","10:08:54",""
"7246258","16.7507","0.0002","20.1161","0.0003","23.6396","0.0003","90","","94.595","0.001","90","","7939.97","0.18","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C45 H34 N5 O7 Zn1.5 -","- C45 H34 N5 O7 Zn1.5 -","- C360 H272 N40 O56 Zn12 -","8","1","","Huang, Gui-Mei; Li, Shuang; Ma, Meng-Xia; Li, Shi-Ming; Li, Wen-Qiang; Ni, Qing-Ling; Gui, Liu-Cheng; Wang, Xiu-Jian","Construction of ZnII/CdII-based MOFs containing a tripodal aromatic carboxylate ligand with unequal arms and their fluorescence detection for Cu2+ and Fe3+ cations","CrystEngComm","2023","25","8","1232","1239","10.1039/D3CE00007A","","x-ray","0.71073","MoKα","","0.0647","0.0445","","","0.1063","0.1165","","","","","","1.063","","","","has coordinates","281411","2023-03-04","18:09:22",""
"7246259","26.6374","0.0006","9.7433","0.0002","29.7932","0.0007","90","","90.922","0.002","90","","7731.4","0.3","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C90 H48 Cd3 N10 O12 -","- C90 H64 Cd3 N10 O12 -","- C360 H256 Cd12 N40 O48 -","4","0.5","","Huang, Gui-Mei; Li, Shuang; Ma, Meng-Xia; Li, Shi-Ming; Li, Wen-Qiang; Ni, Qing-Ling; Gui, Liu-Cheng; Wang, Xiu-Jian","Construction of ZnII/CdII-based MOFs containing a tripodal aromatic carboxylate ligand with unequal arms and their fluorescence detection for Cu2+ and Fe3+ cations","CrystEngComm","2023","25","8","1232","1239","10.1039/D3CE00007A","","x-ray","0.71073","MoKα","","0.0545","0.0363","","","0.0771","0.0887","","","","","","1.054","","","","has coordinates","281411","2023-03-04","18:09:22",""
"7246260","27.0745","0.0005","9.7503","0.0002","29.6517","0.0005","90","","91.899","0.002","90","","7823.3","0.3","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C94 H68 Cd3 N6 O12 -","- C94 H68 Cd3 N6 O12 -","- C376 H272 Cd12 N24 O48 -","4","0.5","","Huang, Gui-Mei; Li, Shuang; Ma, Meng-Xia; Li, Shi-Ming; Li, Wen-Qiang; Ni, Qing-Ling; Gui, Liu-Cheng; Wang, Xiu-Jian","Construction of ZnII/CdII-based MOFs containing a tripodal aromatic carboxylate ligand with unequal arms and their fluorescence detection for Cu2+ and Fe3+ cations","CrystEngComm","2023","25","8","1232","1239","10.1039/D3CE00007A","","x-ray","0.71073","MoKα","","0.0514","0.0354","","","0.0658","0.0739","","","","","","1.049","","","","has coordinates,has disorder","281411","2023-03-04","18:09:22",""
"7246261","38.9381","0.0007","9.4374","0.0001","29.5532","0.0005","90","","132.196","0.003","90","","8045.7","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C88 H82 Cd3 N8 O15 -","- C88 H80 Cd3 N8 O14 -","- C352 H320 Cd12 N32 O56 -","4","0.5","","Huang, Gui-Mei; Li, Shuang; Ma, Meng-Xia; Li, Shi-Ming; Li, Wen-Qiang; Ni, Qing-Ling; Gui, Liu-Cheng; Wang, Xiu-Jian","Construction of ZnII/CdII-based MOFs containing a tripodal aromatic carboxylate ligand with unequal arms and their fluorescence detection for Cu2+ and Fe3+ cations","CrystEngComm","2023","25","8","1232","1239","10.1039/D3CE00007A","","x-ray","1.54184","CuKα","","0.0279","0.0262","","","0.0705","0.0718","","","","","","1.059","","","","has coordinates,has disorder","281411","2023-03-04","18:09:22",""
"7246262","10.7028","0.0007","11.989","0.0008","13.1876","0.0009","89.083","0.002","72.765","0.002","75.181","0.002","1559.16","0.18","173.11","","173.11","","","","","","","","","5","P -1","-P 1","2","","MSU10","","- C27 H32 La N6 O10 -","- C27 H32 La N6 O10 -","- C54 H64 La2 N12 O20 -","2","1","","Hungwe, Johannes; Tshuma, Piwai; Gumbo, Maureen; Noa, Francoise M. Amombo; Öhrström, Lars; Mehlana, Gift","Tuning the topology of a 2D metal–organic framework from 2D to 3D using modulator assisted synthesis","CrystEngComm","2023","25","10","1486","1494","10.1039/D3CE00039G","","","0.71073","MoKα","","0.0387","0.031","","","0.0669","0.0695","","","","","","1.053","","","","has coordinates","282317","2023-04-04","10:09:03",""
"7246263","10.059","0.0002","11.1837","0.0004","13.6668","0.0003","68.67","0.002","86.13","0.002","74.59","0.002","1379.94","0.07","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C24 H27 La N5 O10 -","- C24 H27 La N5 O10 -","- C48 H54 La2 N10 O20 -","2","1","","Hungwe, Johannes; Tshuma, Piwai; Gumbo, Maureen; Noa, Francoise M. Amombo; Öhrström, Lars; Mehlana, Gift","Tuning the topology of a 2D metal–organic framework from 2D to 3D using modulator assisted synthesis","CrystEngComm","2023","25","10","1486","1494","10.1039/D3CE00039G","","x-ray","1.54184","CuKα","","0.0289","0.0264","","","0.0651","0.066","","","","","","1.078","","","","has coordinates","282317","2023-04-04","10:09:03",""
"7246264","25.081","0.003","14.4962","0.0014","14.7769","0.0014","90","","101.766","0.002","90","","5259.7","1","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C30 H61 Cl3 N20 O24 -","- C30 H30 Cl3 N20 O17 -","- C120 H120 Cl12 N80 O68 -","4","0.5","","Xu, Jing; Wang, Qi; Ge, Wei-Wei; Wu, Dong; Redshaw, Carl; Chen, Kai","Sulfonate ligand-induced formation of alkali metal–cucurbit[5]uril-based assemblies","CrystEngComm","2023","25","10","1529","1540","10.1039/D2CE01568D","","","0.71073","MoKα","","0.0799","0.0648","","","0.1898","0.2096","","","","","","1.023","","","","has coordinates","282319","2023-04-04","10:09:45",""
"7246265","12.7096","0.0003","15.9515","0.0004","27.0718","0.0007","90","","96.41","0.001","90","","5454.1","0.2","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H64 N20 O29 S2 -","- C40 H38 N20 O28 S2 -","- C160 H152 N80 O112 S8 -","4","1","","Xu, Jing; Wang, Qi; Ge, Wei-Wei; Wu, Dong; Redshaw, Carl; Chen, Kai","Sulfonate ligand-induced formation of alkali metal–cucurbit[5]uril-based assemblies","CrystEngComm","2023","25","10","1529","1540","10.1039/D2CE01568D","","","1.34139","GaKα","","0.0739","0.0522","","","0.1116","0.1183","","","","","","1.068","","","","has coordinates","282319","2023-04-04","10:09:45",""
"7246266","12.469","0.005","15.956","0.005","27.061","0.005","90","","95.919","0.005","90","","5355","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H58 N20 Na2 O25 S2 -","- C40 H36 N20 Na2 O18 S2 -","- C160 H144 N80 Na8 O72 S8 -","4","1","","Xu, Jing; Wang, Qi; Ge, Wei-Wei; Wu, Dong; Redshaw, Carl; Chen, Kai","Sulfonate ligand-induced formation of alkali metal–cucurbit[5]uril-based assemblies","CrystEngComm","2023","25","10","1529","1540","10.1039/D2CE01568D","","","0.71069","MoKα","","0.1118","0.0593","","","0.1111","0.1292","","","","","","1.097","","","","has coordinates","282319","2023-04-04","10:09:45",""
"7246267","12.449","0.005","16.143","0.005","26.916","0.005","90","0.005","95.226","0.005","90","0.005","5387","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H52 N20 O24 Rb2 S2 -","- C40 H36 N20 O20 Rb2 S2 -","- C160 H144 N80 O80 Rb8 S8 -","4","1","","Xu, Jing; Wang, Qi; Ge, Wei-Wei; Wu, Dong; Redshaw, Carl; Chen, Kai","Sulfonate ligand-induced formation of alkali metal–cucurbit[5]uril-based assemblies","CrystEngComm","2023","25","10","1529","1540","10.1039/D2CE01568D","","","0.71073","MoKα","","0.1007","0.0802","","","0.1904","0.2034","","","","","","1.025","","","","has coordinates","282319","2023-04-04","10:09:45",""
"7246268","12.681","0.005","16.214","0.005","27.109","0.005","90","0.005","96.033","0.005","90","0.005","5543","3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H52 Cs K N20 O24 S2 -","- C40 H36 Cs K N20 O20 S2 -","- C160 H144 Cs4 K4 N80 O80 S8 -","4","1","","Xu, Jing; Wang, Qi; Ge, Wei-Wei; Wu, Dong; Redshaw, Carl; Chen, Kai","Sulfonate ligand-induced formation of alkali metal–cucurbit[5]uril-based assemblies","CrystEngComm","2023","25","10","1529","1540","10.1039/D2CE01568D","","","0.71073","MoKα","","0.1231","0.0978","","","0.2363","0.2549","","","","","","1.069","","","","has coordinates,has disorder","282319","2023-04-04","10:09:45",""
"7246269","12.274","0.005","16.173","0.005","27.018","0.005","90","","94.661","0.005","90","","5346","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H50 K2 N20 O23 S2 -","- C40 H36 K2 N20 O19 S2 -","- C160 H144 K8 N80 O76 S8 -","4","1","","Xu, Jing; Wang, Qi; Ge, Wei-Wei; Wu, Dong; Redshaw, Carl; Chen, Kai","Sulfonate ligand-induced formation of alkali metal–cucurbit[5]uril-based assemblies","CrystEngComm","2023","25","10","1529","1540","10.1039/D2CE01568D","","","0.71073","MoKα","","0.0842","0.0633","","","0.1855","0.2082","","","","","","1","","","","has coordinates","282319","2023-04-04","10:09:45",""
"7246270","17.287","0.0006","15.6308","0.0005","17.7593","0.0006","90","","90","","90","","4798.7","0.3","300.8","0.1","300.8","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H38 B F4 N O7 -","- C19 H38 B F4 N O7 -","- C152 H304 B8 F32 N8 O56 -","8","1","","Wei, Wen-Juan; Gao, Hong-Qiang; Fang, Ming; Tang, Yun-Zhi; Wei, Yen","Revealing the order–disorder type phase transition mechanism in two new supramolecular clathrates","CrystEngComm","2023","25","9","1333","1338","10.1039/D2CE01419J","","x-ray","0.71073","MoKα","","0.0985","0.0557","","","0.1537","0.1751","","","","","","1.069","","","","has coordinates,has disorder","281454","2023-03-04","18:20:05",""
"7246271","17.1067","0.0007","15.3661","0.0007","17.6923","0.0008","90","","90","","90","","4650.7","0.4","173","0.1","173","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H38 B F4 N O7 -","- C19 H38 B F4 N O7 -","- C152 H304 B8 F32 N8 O56 -","8","1","","Wei, Wen-Juan; Gao, Hong-Qiang; Fang, Ming; Tang, Yun-Zhi; Wei, Yen","Revealing the order–disorder type phase transition mechanism in two new supramolecular clathrates","CrystEngComm","2023","25","9","1333","1338","10.1039/D2CE01419J","","x-ray","0.71073","MoKα","","0.0683","0.0477","","","0.099","0.1089","","","","","","1.028","","","","has coordinates","281454","2023-03-04","18:20:05",""
"7246272","15.673","0.0017","10.8757","0.0009","14.278","0.0015","90","","90","","90","","2433.8","0.4","365.01","0.11","365.01","0.11","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C19 H38 Cl N O11 -","- C19 H38 Cl N O11.002 -","- C76 H152 Cl4 N4 O44.008 -","4","0.5","","Wei, Wen-Juan; Gao, Hong-Qiang; Fang, Ming; Tang, Yun-Zhi; Wei, Yen","Revealing the order–disorder type phase transition mechanism in two new supramolecular clathrates","CrystEngComm","2023","25","9","1333","1338","10.1039/D2CE01419J","","x-ray","0.71073","MoKα","","0.3081","0.2497","","","0.623","0.659","","","","","","2.479","","","","has coordinates,has disorder","281454","2023-03-04","18:20:05",""
"7246273","17.3155","0.0008","15.6324","0.0009","17.8689","0.0009","90","","90","","90","","4836.8","0.4","300","0.1","300","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H38 Cl N O11 -","- C19 H38 Cl N O11 -","- C152 H304 Cl8 N8 O88 -","8","1","","Wei, Wen-Juan; Gao, Hong-Qiang; Fang, Ming; Tang, Yun-Zhi; Wei, Yen","Revealing the order–disorder type phase transition mechanism in two new supramolecular clathrates","CrystEngComm","2023","25","9","1333","1338","10.1039/D2CE01419J","","x-ray","0.71073","MoKα","","0.0945","0.0579","","","0.149","0.1759","","","","","","1.025","","","","has coordinates","281454","2023-03-04","18:20:05",""
"7246274","17.1801","0.0004","15.4816","0.0005","17.8001","0.0005","90","","90","","90","","4734.4","0.2","200.04","0.1","200.04","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H38 Cl N O11 -","- C19 H38 Cl N O11 -","- C152 H304 Cl8 N8 O88 -","8","1","","Wei, Wen-Juan; Gao, Hong-Qiang; Fang, Ming; Tang, Yun-Zhi; Wei, Yen","Revealing the order–disorder type phase transition mechanism in two new supramolecular clathrates","CrystEngComm","2023","25","9","1333","1338","10.1039/D2CE01419J","","x-ray","0.71073","MoKα","","0.0487","0.0383","","","0.0933","0.0986","","","","","","1.049","","","","has coordinates","281454","2023-03-04","18:20:05",""
"7246275","17.346","0.0016","15.8138","0.0015","17.761","0.002","90","","90","","90","","4872","0.8","350","","350.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H38 B F4 N O7 -","- C19 H38 B F4 N O7 -","- C152 H304 B8 F32 N8 O56 -","8","1","","Wei, Wen-Juan; Gao, Hong-Qiang; Fang, Ming; Tang, Yun-Zhi; Wei, Yen","Revealing the order–disorder type phase transition mechanism in two new supramolecular clathrates","CrystEngComm","2023","25","9","1333","1338","10.1039/D2CE01419J","","","0.71073","MoKα","","0.3809","0.1034","","","0.2335","0.3176","","","","","","0.842","","","","has coordinates,has disorder","281454","2023-03-04","18:20:05",""
"7246276","5.2615","0.0002","25.2098","0.0009","16.6111","0.0006","90","","91.994","0.003","90","","2201.98","0.14","150.01","0.1","150.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41.5 H54 N6 O11.5 S2 -","- C41.5 H54 N6 O11.5 S2 -","- C83 H108 N12 O23 S4 -","2","1","","Wang, Chang; Turner, Thomas D.; Ma, Cai Y.; Pask, Christopher M.; Rosbottom, Ian; Hong, Richard S.; Sheikh, Ahmad Y.; Yin, Qiuxiang; Roberts, Kevin J.","A quaternary solid-form of ritonavir: an oxalate salt oxalic acid co-crystal acetone solvate","CrystEngComm","2023","25","12","1782","1791","10.1039/D2CE01612E","","x-ray","1.54184","CuKα","","0.0612","0.0513","","","0.1248","0.1313","","","","","","1.024","","","","has coordinates,has disorder","282335","2023-04-04","10:16:21",""
"7246277","17.323","0.002","12.978","0.0015","18.983","0.002","90","","105.428","0.006","90","","4113.9","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C47 H46 N4 O9 -","- C47 H46 N4 O9 -","- C188 H184 N16 O36 -","4","1","","Tominaga, Masahide; Nanbara, Sakito; Hyodo, Tadashi; Kawahata, Masatoshi; Yamaguchi, Kentaro","Orientation of carbonyl groups in inclusion crystals formed from ketones with aromatic diimide-based macrocycles","CrystEngComm","2023","25","8","1295","1300","10.1039/D2CE01641A","","","1.54178","CuKα","","0.0496","0.0395","","","0.0977","0.1034","","","","","","1.035","","","","has coordinates","281414","2023-03-04","18:10:10",""
"7246278","15.5518","0.0011","18.9095","0.0014","16.7038","0.0012","90","","108.49","0.002","90","","4658.6","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H48 Cl4 N4 O8 -","- C54 H48 Cl4 N4 O8 -","- C216 H192 Cl16 N16 O32 -","4","1","","Tominaga, Masahide; Nanbara, Sakito; Hyodo, Tadashi; Kawahata, Masatoshi; Yamaguchi, Kentaro","Orientation of carbonyl groups in inclusion crystals formed from ketones with aromatic diimide-based macrocycles","CrystEngComm","2023","25","8","1295","1300","10.1039/D2CE01641A","","","1.54178","CuKα","","0.0355","0.0344","","","0.0936","0.0945","","","","","","1.031","","","","has coordinates","281414","2023-03-04","18:10:10",""
"7246279","14.9566","0.0014","14.9948","0.0014","16.2793","0.0015","64.136","0.003","79.706","0.003","76.944","0.003","3186.9","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C77 H84 N4 O13 -","- C77 H84 N4 O13 -","- C154 H168 N8 O26 -","2","1","","Tominaga, Masahide; Nanbara, Sakito; Hyodo, Tadashi; Kawahata, Masatoshi; Yamaguchi, Kentaro","Orientation of carbonyl groups in inclusion crystals formed from ketones with aromatic diimide-based macrocycles","CrystEngComm","2023","25","8","1295","1300","10.1039/D2CE01641A","","","1.54178","CuKα","","0.0504","0.0472","","","0.1182","0.1209","","","","","","1.022","","","","has coordinates,has disorder","281414","2023-03-04","18:10:10",""
"7246280","25.162","0.004","13.623","0.002","14.286","0.002","90","","90","","90","","4897","1.3","100","2","100","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C51.3 H50.4 Cl2 N4 O12.2 -","- C51.3 H50.4 Cl2 N4 O12.2 -","- C205.2 H201.6 Cl8 N16 O48.8 -","4","0.25","","Tominaga, Masahide; Nanbara, Sakito; Hyodo, Tadashi; Kawahata, Masatoshi; Yamaguchi, Kentaro","Orientation of carbonyl groups in inclusion crystals formed from ketones with aromatic diimide-based macrocycles","CrystEngComm","2023","25","8","1295","1300","10.1039/D2CE01641A","","","1.54178","CuKα","","0.1376","0.1359","","","0.4382","0.4501","","","","","","2.492","","","","has coordinates,has disorder","281414","2023-03-04","18:10:10",""
"7246281","28.327","0.003","14.6276","0.0017","30.858","0.004","90","","93.076","0.007","90","","12768","3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C74 H88 N4 O14 -","- C74 H88 N4 O14 -","- C592 H704 N32 O112 -","8","2","","Tominaga, Masahide; Nanbara, Sakito; Hyodo, Tadashi; Kawahata, Masatoshi; Yamaguchi, Kentaro","Orientation of carbonyl groups in inclusion crystals formed from ketones with aromatic diimide-based macrocycles","CrystEngComm","2023","25","8","1295","1300","10.1039/D2CE01641A","","","1.54178","CuKα","","0.0813","0.0728","","","0.165","0.1688","","","","","","1.201","","","","has coordinates,has disorder","281414","2023-03-04","18:10:10",""
"7246282","4.9739","0.0003","8.6018","0.0005","6.952","0.0005","90","","110.177","0.003","90","","279.18","0.03","289","2","289","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- O6 Se2 Zr -","- O6 Se2 Zr -","- O12 Se4 Zr2 -","2","0.5","","Lv, Junai; Li, Qi; Guan, Xin; Lin, Na; Zhang, Jian; Jia, Zhitai; Tao, Xutang","Shedding light on intrinsic characteristics and optical properties of novel selenite and tellurite crystals ZrSe2O6, HfSe2O6 and HfTe3O8","CrystEngComm","2023","25","11","1675","1682","10.1039/D2CE01627C","","","0.71073","MoKa","","0.0395","0.0354","","","0.0869","0.0883","","","","","","1.059","","","","has coordinates","282331","2023-04-04","10:14:46",""
"7246283","11.285","0.003","11.285","","11.285","","90","","90","","90","","1437.2","0.4","273","2","273","2","","","","","","","","3","I a -3","-I 2b 2c 3","206","","","","- Hf O8 Te3 -","- Hf O8 Te3 -","- Hf8 O64 Te24 -","8","0.166667","","Lv, Junai; Li, Qi; Guan, Xin; Lin, Na; Zhang, Jian; Jia, Zhitai; Tao, Xutang","Shedding light on intrinsic characteristics and optical properties of novel selenite and tellurite crystals ZrSe2O6, HfSe2O6 and HfTe3O8","CrystEngComm","2023","25","11","1675","1682","10.1039/D2CE01627C","","","0.71073","MoKa","","0.0198","0.0182","","","0.0475","0.0481","","","","","","1.206","","","","has coordinates","282331","2023-04-04","10:14:47",""
"7246284","4.9425","0.0002","8.5794","0.0003","6.9325","0.0002","90","","110.1","0.001","90","","276.059","0.017","273","2","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Hf O6 Se2 -","- Hf O6 Se2 -","- Hf2 O12 Se4 -","2","0.5","","Lv, Junai; Li, Qi; Guan, Xin; Lin, Na; Zhang, Jian; Jia, Zhitai; Tao, Xutang","Shedding light on intrinsic characteristics and optical properties of novel selenite and tellurite crystals ZrSe2O6, HfSe2O6 and HfTe3O8","CrystEngComm","2023","25","11","1675","1682","10.1039/D2CE01627C","","","0.71073","MoKa","","0.0273","0.0263","","","0.069","0.07","","","","","","1.115","","","","has coordinates","282331","2023-04-04","10:14:47",""
"7246285","9.7448","0.0003","11.2596","0.0003","14.0846","0.0004","68.021","0.003","84.398","0.002","66.219","0.003","1308.81","0.08","100","0.3","100","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C22 H31 Cd N4 O8 -","- C22 H31 Cd N4 O8 -","- C44 H62 Cd2 N8 O16 -","2","1","","Huang, Mengyi; Liang, Zhenxin; Huang, Jinling; Zhang, Shuyu; Wen, Yuehong; Wu, Xintao","Dimensional expansion of 1D zigzag chains to a 2D two-fold interpenetrated metal–organic framework for adsorption of lanthanide cations and white light emission","CrystEngComm","2023","25","11","1637","1642","10.1039/D3CE00001J","","x-ray","1.3405","GaKα","","0.0474","0.0432","","","0.1149","0.1178","","","","","","1.053","","","","has coordinates","282329","2023-04-04","10:13:40",""
"7246304","6.7843","0.0003","8.3585","0.0003","15.1607","0.0007","97.295","0.003","93.314","0.004","111.978","0.004","785.58","0.06","110.05","0.1","110.05","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C17 H22 Br N O -","- C17 H22 Br N O -","- C34 H44 Br2 N2 O2 -","2","1","","McAllister, Linda J.; Taylor, James; Pridmore, Natalie E.; McEllin, Alice J.; Whitwood, Adrian C.; Karadakov, Peter B.; Bruce, Duncan W.","Halogen-bonded liquid-crystalline complexes formed from 4-alkoxyphenylpyridines with iodine and with interhalogens","CrystEngComm","2023","25","11","1683","1692","10.1039/D2CE01555B","","","0.71073","MoKα","","0.046","0.0367","","","0.0832","0.089","","","","","","1.076","","","","has coordinates","282332","2023-04-04","10:15:00",""
"7246305","8.7375","0.0003","9.2799","0.0004","10.6024","0.0007","106.226","0.005","98.182","0.004","100.729","0.004","793.61","0.07","110.05","0.1","110.05","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C15 H17 I2 N O -","- C15 H17 I2 N O -","- C30 H34 I4 N2 O2 -","2","1","","McAllister, Linda J.; Taylor, James; Pridmore, Natalie E.; McEllin, Alice J.; Whitwood, Adrian C.; Karadakov, Peter B.; Bruce, Duncan W.","Halogen-bonded liquid-crystalline complexes formed from 4-alkoxyphenylpyridines with iodine and with interhalogens","CrystEngComm","2023","25","11","1683","1692","10.1039/D2CE01555B","","x-ray","0.71071","MoKα","","0.0355","0.0242","","","0.0429","0.0489","","","","","","1.087","","","","has coordinates,has disorder","282332","2023-04-04","10:15:00",""
"7246306","7.8428","0.0003","8.7456","0.0004","11.7685","0.0006","81.274","0.004","82.709","0.004","72.451","0.004","757.9","0.06","110.05","0.1","110.05","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C15 H17 Cl I N O -","- C15 H17 Cl I N O -","- C30 H34 Cl2 I2 N2 O2 -","2","1","","McAllister, Linda J.; Taylor, James; Pridmore, Natalie E.; McEllin, Alice J.; Whitwood, Adrian C.; Karadakov, Peter B.; Bruce, Duncan W.","Halogen-bonded liquid-crystalline complexes formed from 4-alkoxyphenylpyridines with iodine and with interhalogens","CrystEngComm","2023","25","11","1683","1692","10.1039/D2CE01555B","","","0.71071","MoKα","","0.028","0.0235","","","0.0434","0.0456","","","","","","1.041","","","","has coordinates","282332","2023-04-04","10:15:00",""
"7246307","4.63873","0.00014","56.6665","0.0012","8.4248","0.0002","90","","95.637","0.002","90","","2203.84","0.1","110.05","0.1","110.05","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H30 Br3 N O -","- C21 H30 Br3 N O -","- C84 H120 Br12 N4 O4 -","4","1","","McAllister, Linda J.; Taylor, James; Pridmore, Natalie E.; McEllin, Alice J.; Whitwood, Adrian C.; Karadakov, Peter B.; Bruce, Duncan W.","Halogen-bonded liquid-crystalline complexes formed from 4-alkoxyphenylpyridines with iodine and with interhalogens","CrystEngComm","2023","25","11","1683","1692","10.1039/D2CE01555B","","","0.71073","MoKα","","0.0742","0.0586","","","0.096","0.1021","","","","","","1.191","","","","has coordinates","282332","2023-04-04","10:15:00",""
"7246308","6.7554","0.0003","8.4116","0.0003","16.8284","0.0007","97.564","0.003","96.503","0.004","110.294","0.004","876.01","0.07","110.05","0.1","110.05","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C19 H26 Br N O -","- C19 H26 Br N O -","- C38 H52 Br2 N2 O2 -","2","1","","McAllister, Linda J.; Taylor, James; Pridmore, Natalie E.; McEllin, Alice J.; Whitwood, Adrian C.; Karadakov, Peter B.; Bruce, Duncan W.","Halogen-bonded liquid-crystalline complexes formed from 4-alkoxyphenylpyridines with iodine and with interhalogens","CrystEngComm","2023","25","11","1683","1692","10.1039/D2CE01555B","","","0.71073","MoKα","","0.0453","0.0353","","","0.0728","0.0773","","","","","","1.051","","","","has coordinates","282332","2023-04-04","10:15:00",""
"7246309","10.0323","0.0004","11.3017","0.0004","15.5236","0.0005","106.418","0.003","94.206","0.003","113.861","0.004","1508.28","0.12","110.05","0.1","110.05","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C15 H17 Br I N O -","- C15 H17 Br I N O -","- C60 H68 Br4 I4 N4 O4 -","4","2","","McAllister, Linda J.; Taylor, James; Pridmore, Natalie E.; McEllin, Alice J.; Whitwood, Adrian C.; Karadakov, Peter B.; Bruce, Duncan W.","Halogen-bonded liquid-crystalline complexes formed from 4-alkoxyphenylpyridines with iodine and with interhalogens","CrystEngComm","2023","25","11","1683","1692","10.1039/D2CE01555B","","x-ray","0.71073","MoKα","","0.0395","0.0285","","","0.048","0.0517","","","","","","1.045","","","","has coordinates","282332","2023-04-04","10:15:00",""
"7246310","6.6716","0.0003","8.3651","0.0004","13.0803","0.0006","86.724","0.004","86.237","0.004","70.833","0.004","687.55","0.06","110.05","0.1","110.05","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C15 H18 Br N O -","- C15 H18 Br N O -","- C30 H36 Br2 N2 O2 -","2","1","","McAllister, Linda J.; Taylor, James; Pridmore, Natalie E.; McEllin, Alice J.; Whitwood, Adrian C.; Karadakov, Peter B.; Bruce, Duncan W.","Halogen-bonded liquid-crystalline complexes formed from 4-alkoxyphenylpyridines with iodine and with interhalogens","CrystEngComm","2023","25","11","1683","1692","10.1039/D2CE01555B","","","0.71073","MoKα","","0.0458","0.0373","","","0.0735","0.0779","","","","","","1.063","","","","has coordinates","282332","2023-04-04","10:15:00",""
"7246311","28.1904","0.0012","9.1296","0.0002","17.0705","0.0006","90","","98.313","0.004","90","","4347.2","0.3","110.05","0.1","110.05","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H67 Br3 N2 O2 -","- C46 H67 Br3 N2 O2 -","- C184 H268 Br12 N8 O8 -","4","1","","McAllister, Linda J.; Taylor, James; Pridmore, Natalie E.; McEllin, Alice J.; Whitwood, Adrian C.; Karadakov, Peter B.; Bruce, Duncan W.","Halogen-bonded liquid-crystalline complexes formed from 4-alkoxyphenylpyridines with iodine and with interhalogens","CrystEngComm","2023","25","11","1683","1692","10.1039/D2CE01555B","","","0.71073","MoKα","","0.0715","0.0393","","","0.0798","0.0919","","","","","","1.053","","","","has coordinates,has disorder","282332","2023-04-04","10:15:00",""
"7246312","6.7504","0.0003","8.3652","0.0004","20.1363","0.001","81.71","0.004","86.632","0.004","70.675","0.004","1061.71","0.09","110.05","0.1","110.05","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C23 H34 Br N O -","- C23 H34 Br N O -","- C46 H68 Br2 N2 O2 -","2","1","","McAllister, Linda J.; Taylor, James; Pridmore, Natalie E.; McEllin, Alice J.; Whitwood, Adrian C.; Karadakov, Peter B.; Bruce, Duncan W.","Halogen-bonded liquid-crystalline complexes formed from 4-alkoxyphenylpyridines with iodine and with interhalogens","CrystEngComm","2023","25","11","1683","1692","10.1039/D2CE01555B","","","0.71073","MoKα","","0.0439","0.0351","","","0.0744","0.0787","","","","","","1.06","","","","has coordinates","282332","2023-04-04","10:15:00",""
"7246315","4.7442","0.0002","31.8938","0.001","15.627","0.0006","90","","95.026","0.003","90","","2355.44","0.15","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H28 N6 O14 S6 Zn3 -","- C48 H28 N6 O14 S6 Zn3 -","- C96 H56 N12 O28 S12 Zn6 -","2","0.5","","Chen, Xueyi; Tan, Geng; Chen, Wanyu; Chang, Jiaming; Yue, Yuanmeng; Li, Yameng; Weng, Ng Seik; Zhang, Lilei; Feng, Xun","A zinc-based metal–organic framework with a triazine moiety: effective detection of antibiotics and photodegradation dyes in aqueous solution","CrystEngComm","2023","25","13","1965","1975","10.1039/D2CE01684B","","","0.71073","MoKα","","0.0765","0.0647","","","0.1564","0.1643","","","","","","1.031","","","","has coordinates,has disorder","282325","2023-04-04","10:12:50",""
"7246316","7.6655","0.0001","8.5036","0.0002","9.2148","0.0002","87.7032","0.0012","71.3451","0.001","84.9971","0.0012","566.89","0.02","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 Co N2 O6 -","- C12 H10 Co N2 O6 -","- C24 H20 Co2 N4 O12 -","2","1","","Liao, Tsung-Te; Lin, Shu-Yu; Chen, Jhy-Der","Co(ii) coordination polymers supported by a benzenetetracarboxylate and bis-pyridyl-bis-amides with different flexibilities","CrystEngComm","2023","","","","","10.1039/D2CE01648F","","","0.71073","MoKα","","0.0417","0.0309","","","0.0638","0.0676","","","","","","1.023","","","","has coordinates","281080","2023-02-22","08:38:53",""
"7246317","7.3291","0.0002","26.4128","0.0006","19.8928","0.0004","90","","92.0679","0.0013","90","","3848.38","0.16","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H37 Co3 N4 O16 -","- C37 H37 Co3 N4 O16 -","- C148 H148 Co12 N16 O64 -","4","1","","Liao, Tsung-Te; Lin, Shu-Yu; Chen, Jhy-Der","Co(ii) coordination polymers supported by a benzenetetracarboxylate and bis-pyridyl-bis-amides with different flexibilities","CrystEngComm","2023","","","","","10.1039/D2CE01648F","","","0.71073","MoKα","","0.11","0.0708","","","0.1636","0.1835","","","","","","1.042","","","","has coordinates,has disorder","281080","2023-02-22","08:38:58",""
"7246318","18.6212","0.0002","15.979","0.0002","17.1168","0.0002","90","","113.206","0.0005","90","","4681","0.1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H27 Co N4 O8 -","- C23 H27 Co N4 O8 -","- C184 H216 Co8 N32 O64 -","8","1","","Liao, Tsung-Te; Lin, Shu-Yu; Chen, Jhy-Der","Co(ii) coordination polymers supported by a benzenetetracarboxylate and bis-pyridyl-bis-amides with different flexibilities","CrystEngComm","2023","","","","","10.1039/D2CE01648F","","","0.71073","MoKα","","0.0345","0.0281","","","0.0752","0.0792","","","","","","1.031","","","","has coordinates","281080","2023-02-22","08:38:59",""
"7246319","18.0308","0.0012","8.2801","0.0006","19.332","0.0013","90","","105.499","0.0017","90","","2781.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 Co N6 O11 -","- C26 H30 Co N6 O11 -","- C104 H120 Co4 N24 O44 -","4","1","","Liao, Tsung-Te; Lin, Shu-Yu; Chen, Jhy-Der","Co(ii) coordination polymers supported by a benzenetetracarboxylate and bis-pyridyl-bis-amides with different flexibilities","CrystEngComm","2023","","","","","10.1039/D2CE01648F","","","0.71073","MoKα","","0.059","0.0388","","","0.0932","0.1024","","","","","","1.02","","","","has coordinates","281080","2023-02-22","08:43:10",""
"7246320","9.0051","0.0007","9.514","0.0007","12.5164","0.001","90.61","0.003","99.38","0.003","109.122","0.003","997.26","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H19 Co N4 O8 -","- C19 H19 Co N4 O8 -","- C38 H38 Co2 N8 O16 -","2","1","","Liao, Tsung-Te; Lin, Shu-Yu; Chen, Jhy-Der","Co(ii) coordination polymers supported by a benzenetetracarboxylate and bis-pyridyl-bis-amides with different flexibilities","CrystEngComm","2023","","","","","10.1039/D2CE01648F","","","0.71073","MoKα","","0.0273","0.0247","","","0.0626","0.064","","","","","","1.034","","","","has coordinates","281080","2023-02-22","08:43:39",""
"7246323","13.296","0.002","18.408","0.004","3.7815","0.0011","90","","90","","90","","925.5","0.4","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H8 N2 O2 -","- C12 H8 N2 O2 -","- C48 H32 N8 O8 -","4","1","","Sendh, Jagajiban; Baruah, Jubaraj B.","Polymorphs, ionic cocrystal and inclusion complex of N-amino-1,8-naphthalimide","CrystEngComm","2023","25","13","1928","1940","10.1039/D2CE01673G","","","0.71073","MoKα","","0.141","0.0724","","","0.1198","0.1597","","","","","","1.057","","","","has coordinates","282322","2023-04-04","10:11:06",""
"7246324","6.983","0.004","8.788","0.005","10.103","0.006","98.26","0.02","94.33","0.02","93.17","0.02","610.4","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H11 N3 O6 -","- C12 H11 N3 O6 -","- C24 H22 N6 O12 -","2","1","","Sendh, Jagajiban; Baruah, Jubaraj B.","Polymorphs, ionic cocrystal and inclusion complex of N-amino-1,8-naphthalimide","CrystEngComm","2023","25","13","1928","1940","10.1039/D2CE01673G","","","0.71073","MoKα","","0.124","0.0564","","","0.1194","0.1428","","","","","","1.035","","","","has coordinates","282322","2023-04-04","10:11:07",""
"7246325","7.4117","0.0008","14.0189","0.0013","10.6336","0.001","90","","98.59","0.009","90","","1092.48","0.19","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H19 N5 O8 -","- C24 H19 N5 O8 -","- C48 H38 N10 O16 -","2","1","","Sendh, Jagajiban; Baruah, Jubaraj B.","Polymorphs, ionic cocrystal and inclusion complex of N-amino-1,8-naphthalimide","CrystEngComm","2023","25","13","1928","1940","10.1039/D2CE01673G","","","0.71073","MoKα","","0.053","0.0429","","","0.1045","0.1142","","","","","","1.086","","","","has coordinates","282322","2023-04-04","10:11:07",""
"7246326","7.307","0.0006","9.3649","0.0007","14.6557","0.001","81.676","0.003","80.506","0.003","69.46","0.003","922.15","0.12","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H16 N4 O4 -","- C24 H16 N4 O4 -","- C48 H32 N8 O8 -","2","1","","Sendh, Jagajiban; Baruah, Jubaraj B.","Polymorphs, ionic cocrystal and inclusion complex of N-amino-1,8-naphthalimide","CrystEngComm","2023","25","13","1928","1940","10.1039/D2CE01673G","","","0.71073","MoKα","","0.0611","0.0447","","","0.129","0.1418","","","","","","1.063","","","","has coordinates","282322","2023-04-04","10:11:07",""
"7246327","7.5784","0.0005","11.6201","0.0008","13.5062","0.0009","77.55","0.002","84.286","0.002","76.406","0.002","1127.38","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C3.43 H2.29 Cu0.07 N0.71 O -","- C3.42857 H2.28571 Cu0.0714286 N0.714286 O -","- C48 H32 Cu N10 O14 -","14","7","","Sendh, Jagajiban; Baruah, Jubaraj B.","Polymorphs, ionic cocrystal and inclusion complex of N-amino-1,8-naphthalimide","CrystEngComm","2023","25","13","1928","1940","10.1039/D2CE01673G","","","0.71073","MoKα","","0.0692","0.0613","","","0.1731","0.183","","","","","","1.05","","","","has coordinates","282322","2023-04-04","10:11:07",""
"7246328","13.2629","0.0007","14.3481","0.0008","16.6357","0.001","96.631","0.005","104.242","0.005","116.913","0.005","2640.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H40 Cd N12 O16 -","- C60 H40 Cd N12 O16 -","- C120 H80 Cd2 N24 O32 -","2","1","","Sendh, Jagajiban; Baruah, Jubaraj B.","Polymorphs, ionic cocrystal and inclusion complex of N-amino-1,8-naphthalimide","CrystEngComm","2023","25","13","1928","1940","10.1039/D2CE01673G","","","0.71073","MoKα","","0.1098","0.0661","","","0.1457","0.1784","","","","","","1.023","","","","has coordinates","282322","2023-04-04","10:11:07",""
"7246329","21.5133","0.0014","4.9621","0.0004","24.1452","0.0016","90","","95.496","0.006","90","","2565.7","0.3","293.15","","293.15","","","","","","","","","3","P 1 21 1","P 2yb","4","ARB","arbutin","","- C12 H16 O7 -","- C12 H16 O7 -","- C96 H128 O56 -","8","4","","Taiwaikuli, Mukaidaisi; Wang, Ting; Chen, Kui; Feng, Yaoguang; Xing, Jiangna; Huang, Xin; Wang, Na; Zhou, Lina; Hao, Hongxun","Mechanistic study of the formation of arbutin polymorphs and solvates","CrystEngComm","2023","25","14","2075","2084","10.1039/D2CE01670B","","x-ray","0.71073","MoKα","","0.1431","0.059","","","0.113","0.1558","","","","","","0.984","","","","has coordinates","283210","2023-05-05","01:24:53",""
"7246330","6.3532","0.0004","21.0244","0.0012","22.6649","0.0018","90","","90","","90","","3027.4","0.4","113.15","","113.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Arbutin DMA solvent compound; solvate S4","Arbutin DMA solvate","","- C28 H41 N O15 -","- C28 H41 N O15 -","- C112 H164 N4 O60 -","4","1","","Taiwaikuli, Mukaidaisi; Wang, Ting; Chen, Kui; Feng, Yaoguang; Xing, Jiangna; Huang, Xin; Wang, Na; Zhou, Lina; Hao, Hongxun","Mechanistic study of the formation of arbutin polymorphs and solvates","CrystEngComm","2023","25","14","2075","2084","10.1039/D2CE01670B","","x-ray","0.71073","MoKα","","0.1042","0.0646","","","0.1134","0.1346","","","","","","1.032","","","","has coordinates","283210","2023-05-05","01:25:04",""
"7246331","8.5631","0.0003","8.5283","0.0003","15.1997","0.0005","90","","104.747","0.003","90","","1073.45","0.07","113.15","","113.15","","","","","","","","","4","P 1 21 1","P 2yb","4","Arbutin DMF solvent compound; solvate S1","Arbutin DMF solvate","","- C18 H30 N2 O9 -","- C18 H30 N2 O9 -","- C36 H60 N4 O18 -","2","1","","Taiwaikuli, Mukaidaisi; Wang, Ting; Chen, Kui; Feng, Yaoguang; Xing, Jiangna; Huang, Xin; Wang, Na; Zhou, Lina; Hao, Hongxun","Mechanistic study of the formation of arbutin polymorphs and solvates","CrystEngComm","2023","25","14","2075","2084","10.1039/D2CE01670B","","x-ray","0.71073","MoKα","","0.0431","0.0384","","","0.0913","0.0959","","","","","","1.038","","","","has coordinates","283210","2023-05-05","01:25:09",""
"7246332","6.3606","0.0003","20.5593","0.0009","23.4018","0.0009","90","","90","","90","","3060.2","0.2","113.15","","113.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Arbutin NMP solvent compound;solvate S5","Arbutin NMP solvate","","- C29 H41 N O15 -","- C29 H41 N O15 -","- C116 H164 N4 O60 -","4","1","","Taiwaikuli, Mukaidaisi; Wang, Ting; Chen, Kui; Feng, Yaoguang; Xing, Jiangna; Huang, Xin; Wang, Na; Zhou, Lina; Hao, Hongxun","Mechanistic study of the formation of arbutin polymorphs and solvates","CrystEngComm","2023","25","14","2075","2084","10.1039/D2CE01670B","","x-ray","0.71073","MoKα","","0.0991","0.0615","","","0.1049","0.1239","","","","","","1.04","","","","has coordinates,has disorder","283210","2023-05-05","01:25:21",""
"7246333","15.7345","0.0004","16.732","0.0004","17.2068","0.0006","83.659","0.002","66.309","0.003","89.939","0.002","4118.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C126 H210 N2 O36 Ti10 -","- C126 H210 N2 O36 Ti10 -","- C126 H210 N2 O36 Ti10 -","1","0.5","","Pei, Xin-Yue; He, Ying; Wang, Jia-Yin; Wang, Hong-Yan; Bo, Qi-Bing","Substituted benzoate-anchored decanuclear titanium-oxo clusters featuring an unprecedented defective double-cubane geometry","CrystEngComm","2023","25","11","1617","1625","10.1039/D2CE01653B","","","0.71073","MoKα","","0.0875","0.0474","","","0.1199","0.146","","","","","","1.023","","","","has coordinates,has disorder","282330","2023-04-04","10:14:09",""
"7246334","15.2841","0.0007","15.8379","0.0005","16.1254","0.0006","119.36","0.004","99.503","0.004","106.205","0.004","3046.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H126 N2 O36 Ti10 -","- C84 H126 N2 O36 Ti10 -","- C84 H126 N2 O36 Ti10 -","1","0.5","","Pei, Xin-Yue; He, Ying; Wang, Jia-Yin; Wang, Hong-Yan; Bo, Qi-Bing","Substituted benzoate-anchored decanuclear titanium-oxo clusters featuring an unprecedented defective double-cubane geometry","CrystEngComm","2023","25","11","1617","1625","10.1039/D2CE01653B","","x-ray","0.71073","MoKα","","0.0879","0.0566","","","0.166","0.1826","","","","","","1.055","","","","has coordinates,has disorder","282330","2023-04-04","10:14:14",""
"7246335","15.0565","0.0008","15.5845","0.0007","16.1779","0.0007","64.8","0.004","66.955","0.005","75.967","0.004","3147.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H126 N2 O42 Ti10 -","- C84 H126 N2 O42 Ti10 -","- C84 H126 N2 O42 Ti10 -","1","0.5","","Pei, Xin-Yue; He, Ying; Wang, Jia-Yin; Wang, Hong-Yan; Bo, Qi-Bing","Substituted benzoate-anchored decanuclear titanium-oxo clusters featuring an unprecedented defective double-cubane geometry","CrystEngComm","2023","25","11","1617","1625","10.1039/D2CE01653B","","","0.71073","MoKα","","0.0692","0.0422","","","0.1072","0.1242","","","","","","1.021","","","","has coordinates,has disorder","282330","2023-04-04","10:14:25",""
"7246336","13.1367","0.001","16.9074","0.0011","17.9372","0.0012","107.392","0.006","107.891","0.006","95.423","0.006","3541","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H112 N14 O60 Ti10 -","- C84 H112 N14 O60 Ti10 -","- C84 H112 N14 O60 Ti10 -","1","0.5","","Pei, Xin-Yue; He, Ying; Wang, Jia-Yin; Wang, Hong-Yan; Bo, Qi-Bing","Substituted benzoate-anchored decanuclear titanium-oxo clusters featuring an unprecedented defective double-cubane geometry","CrystEngComm","2023","25","11","1617","1625","10.1039/D2CE01653B","","","0.71073","MoKα","","0.1707","0.0881","","","0.2158","0.268","","","","","","0.937","","","","has coordinates,has disorder","282330","2023-04-04","10:14:31",""
"7246337","14.133","0.003","24.331","0.004","14.139","0.002","90","","119.109","0.004","90","","4247.9","1.3","170","2","170","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C92 H45 N16 O32.5 Zn8 -","- C92 H45 N16 O32.5 Zn8 -","- C92 H45 N16 O32.5 Zn8 -","1","0.5","","Meng, Xin-Wei; Ding, Tao; Liu, Bin; Gong, Xue-Song; Liu, Bo; Zheng, Li-Na","Highly selective C2H2 and CO2 capture based on two new ZnII-MOFs and fluorescence sensing of two doped MOFs with EuIII","CrystEngComm","2023","25","15","2313","2320","10.1039/D3CE00068K","","","0.71073","MoKα","","0.1274","0.0881","","","0.2322","0.2681","","","","","","1.07","","","","has coordinates,has disorder","283215","2023-05-05","01:27:24",""
"7246338","24.2819","0.0011","24.2419","0.0011","28.6093","0.0013","90","","90","","90","","16840.6","1.3","170","2","170","","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C46 H24 N8 O17 Zn4 -","- C46 H24 N8 O17 Zn4 -","- C368 H192 N64 O136 Zn32 -","8","0.5","","Meng, Xin-Wei; Ding, Tao; Liu, Bin; Gong, Xue-Song; Liu, Bo; Zheng, Li-Na","Highly selective C2H2 and CO2 capture based on two new ZnII-MOFs and fluorescence sensing of two doped MOFs with EuIII","CrystEngComm","2023","25","15","2313","2320","10.1039/D3CE00068K","","","1.54184","CuKα","","0.1717","0.1169","","","0.3209","0.3513","","","","","","0.976","","","","has coordinates,has disorder","283215","2023-05-05","01:27:24",""
"7246339","7.7223","0.0001","8.3116","0.0002","15.3112","0.0003","90","","101.017","0.002","90","","964.63","0.03","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 Br N O2 -","- C9 H10 Br N O2 -","- C36 H40 Br4 N4 O8 -","4","1","","Bogdan, Marta; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","On structural factors determining the nature of the fluorescent properties of OIHMs based on 8-hydroxyquinoline","CrystEngComm","2023","25","13","1993","2002","10.1039/D3CE00061C","","x-ray","1.54184","CuKα","","0.0292","0.0275","","","0.0904","0.0922","","","","","","1.114","","","","has coordinates","282324","2023-04-04","10:12:02",""
"7246340","15.2078","0.0007","8.0042","0.0004","16.6991","0.0008","90","","91.133","0.004","90","","2032.32","0.17","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 Cl4 Co N2 O2 -","- C18 H16 Cl4 Co N2 O2 -","- C72 H64 Cl16 Co4 N8 O8 -","4","0.5","","Bogdan, Marta; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","On structural factors determining the nature of the fluorescent properties of OIHMs based on 8-hydroxyquinoline","CrystEngComm","2023","25","13","1993","2002","10.1039/D3CE00061C","","x-ray","0.71073","MoKα","","0.0309","0.0241","","","0.0557","0.058","","","","","","1.04","","","","has coordinates","282324","2023-04-04","10:12:13",""
"7246341","7.7734","0.0004","8.0302","0.0004","15.1465","0.0008","90","","99.036","0.005","90","","933.74","0.08","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 Cl N O2 -","- C9 H10 Cl N O2 -","- C36 H40 Cl4 N4 O8 -","4","1","","Bogdan, Marta; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","On structural factors determining the nature of the fluorescent properties of OIHMs based on 8-hydroxyquinoline","CrystEngComm","2023","25","13","1993","2002","10.1039/D3CE00061C","","x-ray","0.71073","MoKα","","0.06","0.0557","","","0.1378","0.1403","","","","","","1.073","","","","has coordinates","282324","2023-04-04","10:12:24",""
"7246342","15.7785","0.0006","8.5996","0.0003","16.6373","0.0007","90","","92.28","0.004","90","","2255.71","0.15","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 Br4 Cd N2 O2 -","- C18 H16 Br4 Cd N2 O2 -","- C72 H64 Br16 Cd4 N8 O8 -","4","0.5","","Bogdan, Marta; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","On structural factors determining the nature of the fluorescent properties of OIHMs based on 8-hydroxyquinoline","CrystEngComm","2023","25","13","1993","2002","10.1039/D3CE00061C","","x-ray","0.71073","MoKα","","0.0225","0.0173","","","0.0381","0.0394","","","","","","1.029","","","","has coordinates","282324","2023-04-04","10:12:27",""
"7246343","13.7376","0.0004","4.3663","0.0002","22.527","0.0008","90","","95.846","0.003","90","","1344.2","0.09","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H12 Cl3 Hg N O3 -","- C9 H12 Cl3 Hg N O3 -","- C36 H48 Cl12 Hg4 N4 O12 -","4","1","","Bogdan, Marta; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","On structural factors determining the nature of the fluorescent properties of OIHMs based on 8-hydroxyquinoline","CrystEngComm","2023","25","13","1993","2002","10.1039/D3CE00061C","","x-ray","0.71073","MoKα","","0.0159","0.0144","","","0.0338","0.0342","","","","","","1.046","","","","has coordinates","282324","2023-04-04","10:12:31",""
"7246344","8.3593","0.0001","13.0386","0.0002","18.9457","0.0003","76.385","0.001","83.619","0.001","84.652","0.001","1989.69","0.05","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C36 H36 Bi Cl7 N4 O6 -","- C36 H36 Bi Cl7 N4 O6 -","- C72 H72 Bi2 Cl14 N8 O12 -","2","1","","Bogdan, Marta; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","On structural factors determining the nature of the fluorescent properties of OIHMs based on 8-hydroxyquinoline","CrystEngComm","2023","25","13","1993","2002","10.1039/D3CE00061C","","x-ray","0.71073","MoKα","","0.014","0.0132","","","0.0327","0.0329","","","","","","1.065","","","","has coordinates","282324","2023-04-04","10:12:33",""
"7246345","7.4707","0.0002","10.1801","0.0002","14.1377","0.0004","86.275","0.002","86.472","0.002","84.89","0.002","1066.99","0.05","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C18 H16 Cl5 Fe N2 O2 -","- C18 H16 Cl5 Fe N2 O2 -","- C36 H32 Cl10 Fe2 N4 O4 -","2","1","","Bogdan, Marta; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","On structural factors determining the nature of the fluorescent properties of OIHMs based on 8-hydroxyquinoline","CrystEngComm","2023","25","13","1993","2002","10.1039/D3CE00061C","","x-ray","0.71073","MoKα","","0.0253","0.0247","","","0.0627","0.063","","","","","","1.069","","","","has coordinates","282324","2023-04-04","10:12:36",""
"7246346","7.6819","0.0001","10.4227","0.0002","14.418","0.0003","86.456","0.002","85.113","0.002","85.066","0.002","1144.21","0.04","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C18 H16 Br5 Fe N2 O2 -","- C18 H16 Br5 Fe N2 O2 -","- C36 H32 Br10 Fe2 N4 O4 -","2","1","","Bogdan, Marta; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","On structural factors determining the nature of the fluorescent properties of OIHMs based on 8-hydroxyquinoline","CrystEngComm","2023","25","13","1993","2002","10.1039/D3CE00061C","","x-ray","0.71073","MoKα","","0.0175","0.0159","","","0.0381","0.0387","","","","","","1.041","","","","has coordinates","282324","2023-04-04","10:12:36",""
"7246347","17.0128","0.0006","7.1435","0.0002","17.1911","0.0007","90","","90.158","0.003","90","","2089.24","0.13","100","0.1","100","0.1","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C18 H16 Br4 Co N2 O2 -","- C18 H16 Br4 Co N2 O2 -","- C72 H64 Br16 Co4 N8 O8 -","4","1","","Bogdan, Marta; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","On structural factors determining the nature of the fluorescent properties of OIHMs based on 8-hydroxyquinoline","CrystEngComm","2023","25","13","1993","2002","10.1039/D3CE00061C","","x-ray","0.71073","MoKα","","0.1064","0.0805","","","0.2159","0.2344","","","","","","1.097","","","","has coordinates","282324","2023-04-04","10:12:36",""
"7246348","17.0829","0.0008","7.2297","0.0003","17.2934","0.0008","90","","90.388","0.004","90","","2135.76","0.17","100","0.1","100","0.1","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C18 H16 Br4 Hg N2 O2 -","- C18 H16 Br4 Hg N2 O2 -","- C72 H64 Br16 Hg4 N8 O8 -","4","1","","Bogdan, Marta; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","On structural factors determining the nature of the fluorescent properties of OIHMs based on 8-hydroxyquinoline","CrystEngComm","2023","25","13","1993","2002","10.1039/D3CE00061C","","x-ray","0.71073","MoKα","","0.0458","0.0361","","","0.0861","0.0901","","","","","","1.04","","","","has coordinates","282324","2023-04-04","10:12:36",""
"7246349","7.2163","0.0003","9.5228","0.0004","9.5411","0.0004","83.177","0.003","71.049","0.004","79.945","0.003","609.24","0.05","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C18 H20 Cl6 N2 O4 Sn -","- C18 H20 Cl6 N2 O4 Sn -","- C18 H20 Cl6 N2 O4 Sn -","1","0.5","","Bogdan, Marta; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","On structural factors determining the nature of the fluorescent properties of OIHMs based on 8-hydroxyquinoline","CrystEngComm","2023","25","13","1993","2002","10.1039/D3CE00061C","","x-ray","0.71073","MoKα","","0.0433","0.0393","","","0.1162","0.1179","","","","","","1.108","","","","has coordinates","282324","2023-04-04","10:12:36",""
"7246350","4.0631","0.0001","21.2351","0.0007","14.5111","0.0005","90","","97.763","0.004","90","","1240.55","0.07","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H8 Br3 N O Pb -","- C9 H8 Br3 N O Pb -","- C36 H32 Br12 N4 O4 Pb4 -","4","1","","Bogdan, Marta; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","On structural factors determining the nature of the fluorescent properties of OIHMs based on 8-hydroxyquinoline","CrystEngComm","2023","25","13","1993","2002","10.1039/D3CE00061C","","x-ray","0.71073","MoKα","","0.0135","0.0118","","","0.0273","0.0277","","","","","","1.038","","","","has coordinates","282324","2023-04-04","10:12:36",""
"7246351","15.2852","0.0002","8.2556","0.0001","16.5412","0.0002","90","","91.317","0.001","90","","2086.76","0.04","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 Cl4 Hg N2 O2 -","- C18 H16 Cl4 Hg N2 O2 -","- C72 H64 Cl16 Hg4 N8 O8 -","4","0.5","","Bogdan, Marta; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","On structural factors determining the nature of the fluorescent properties of OIHMs based on 8-hydroxyquinoline","CrystEngComm","2023","25","13","1993","2002","10.1039/D3CE00061C","","x-ray","0.71073","MoKα","","0.0082","0.0082","","","0.0215","0.0215","","","","","","1.12","","","","has coordinates","282324","2023-04-04","10:12:36",""
"7246352","15.2834","0.0006","8.2421","0.0004","16.5244","0.0007","90","","91.322","0.004","90","","2080.98","0.16","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 Cd Cl4 N2 O2 -","- C18 H16 Cd Cl4 N2 O2 -","- C72 H64 Cd4 Cl16 N8 O8 -","4","0.5","","Bogdan, Marta; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","On structural factors determining the nature of the fluorescent properties of OIHMs based on 8-hydroxyquinoline","CrystEngComm","2023","25","13","1993","2002","10.1039/D3CE00061C","","x-ray","0.71073","MoKα","","0.0231","0.0184","","","0.0397","0.041","","","","","","1.031","","","","has coordinates","282324","2023-04-04","10:12:36",""
"7246356","7.9627","0.0009","9.0418","0.0009","9.2723","0.0009","68.798","0.009","76.506","0.009","83.945","0.009","605.05","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H15 N2 O -","- C13 H15 N2 O -","- C26 H30 N4 O2 -","2","1","","Li, Chaoxiong; Sun, Xuancheng; Meng, Xianggao; Wang, Dunjia; Zheng, Chunyang","Construction of ZnII/CdII-CPs and their fluorescent detection for Fe3+, Cr2O72− and TNP in water via luminescence quenching","CrystEngComm","2023","25","18","2728","2738","10.1039/D3CE00135K","","x-ray","1.54184","CuKα","","0.0428","0.0406","","","0.1132","0.1158","","","","","","1.026","","","","has coordinates","284268","2023-06-05","04:26:03",""
"7246357","8.0063","0.0009","24.063","0.003","20.759","0.002","90","","96.238","0.002","90","","3975.7","0.8","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H44 Cd N6 O6 -","- C44 H44 Cd N6 O6 -","- C176 H176 Cd4 N24 O24 -","4","0.5","","Li, Chaoxiong; Sun, Xuancheng; Meng, Xianggao; Wang, Dunjia; Zheng, Chunyang","Construction of ZnII/CdII-CPs and their fluorescent detection for Fe3+, Cr2O72− and TNP in water via luminescence quenching","CrystEngComm","2023","25","18","2728","2738","10.1039/D3CE00135K","","","0.71073","MoKα","","0.0305","0.0247","","","0.0621","0.066","","","","","","1.036","","","","has coordinates","284268","2023-06-05","04:26:13",""
"7246358","21.516","0.003","6.3257","0.0008","20.465","0.003","90","","117.404","0.002","90","","2472.8","0.6","296.15","","296.15","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C23 H26 Cd N4 O6.5 -","- C23 H26 Cd N4 O6.5 -","- C92 H104 Cd4 N16 O26 -","4","1","","Li, Chaoxiong; Sun, Xuancheng; Meng, Xianggao; Wang, Dunjia; Zheng, Chunyang","Construction of ZnII/CdII-CPs and their fluorescent detection for Fe3+, Cr2O72− and TNP in water via luminescence quenching","CrystEngComm","2023","25","18","2728","2738","10.1039/D3CE00135K","","","0.71073","MoKα","","0.0385","0.0272","","","0.0677","0.0748","","","","","","1.036","","","","has coordinates,has disorder","284268","2023-06-05","04:26:16",""
"7246359","14.371","0.0002","19.0998","0.0002","23.8664","0.0002","90","","90","","90","","6550.93","0.13","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C35 H34 N6 O5 Zn -","- C35 H34 N6 O5 Zn -","- C280 H272 N48 O40 Zn8 -","8","1","","Li, Chaoxiong; Sun, Xuancheng; Meng, Xianggao; Wang, Dunjia; Zheng, Chunyang","Construction of ZnII/CdII-CPs and their fluorescent detection for Fe3+, Cr2O72− and TNP in water via luminescence quenching","CrystEngComm","2023","25","18","2728","2738","10.1039/D3CE00135K","","x-ray","1.54184","CuKα","","0.0558","0.0497","","","0.1412","0.1464","","","","","","1.038","","","","has coordinates,has disorder","284268","2023-06-05","04:26:29",""
"7246360","28.8765","0.0004","23.5183","0.0004","16.9031","0.0002","90","","90","","90","","11479.3","0.3","293","2","293","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C29 H28 Cd N2 O7 -","- C26 H19 Cd N2 O5 -","- C416 H304 Cd16 N32 O80 -","16","1","","Li, Chaoxiong; Sun, Xuancheng; Meng, Xianggao; Wang, Dunjia; Zheng, Chunyang","Construction of ZnII/CdII-CPs and their fluorescent detection for Fe3+, Cr2O72− and TNP in water via luminescence quenching","CrystEngComm","2023","25","18","2728","2738","10.1039/D3CE00135K","","x-ray","1.54184","CuKα","","0.0779","0.0758","","","0.2125","0.2161","","","","","","1.079","","","","has coordinates","284268","2023-06-05","04:26:32",""
"7246361","29.0368","0.0003","22.6033","0.0002","16.92391","0.00015","90","","90","","90","","11107.6","0.18","293","2","293","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C29 H28 N3 O7 Zn -","- C26 H19 N2 O5 Zn -","- C416 H304 N32 O80 Zn16 -","16","1","","Li, Chaoxiong; Sun, Xuancheng; Meng, Xianggao; Wang, Dunjia; Zheng, Chunyang","Construction of ZnII/CdII-CPs and their fluorescent detection for Fe3+, Cr2O72− and TNP in water via luminescence quenching","CrystEngComm","2023","25","18","2728","2738","10.1039/D3CE00135K","","x-ray","1.54184","CuKα","","0.0391","0.0351","","","0.1066","0.11","","","","","","1.085","","","","has coordinates","284268","2023-06-05","04:26:42",""
"7246362","7.2581","0.0015","19.176","0.004","7.9267","0.0016","90","","102.24","0.03","90","","1078.2","0.4","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Cr2 N8 O10 -","- C18 H14 Cr2 N8 O10 -","- C36 H28 Cr4 N16 O20 -","2","0.5","","Zhou, Shu-Fang; Zhang, Hong-Jie; Zhang, Chen-Xi; Wang, Qing-Lun","A Cr(iii) supramolecular network composite membrane with high water stability and proton conductivity","CrystEngComm","2023","25","13","2003","2010","10.1039/D2CE01610A","","","0.71073","MoKα","","0.091","0.0847","","","0.1656","0.1686","","","","","","1.23","","","","has coordinates","282326","2023-04-04","10:12:58",""
"7246363","14.124","0.0002","9.70051","0.00018","9.5835","0.00016","90","","95.9776","0.0016","90","","1305.9","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H11 Cd N4 O3 -","- C9 H11 Cd N4 O3 -","- C36 H44 Cd4 N16 O12 -","4","1","","Vakil, Farhat; Ahmad, M. Shahwaz; Kumar, Manjeet; Ansari, Azaj; Shahid, M.; Ahmad, Musheer","Fabrication of a Cd(ii) metal–organic framework as a dual functional material: efficient iodine capture and selective adsorption of a cationic dye","CrystEngComm","2023","25","15","2280","2297","10.1039/D3CE00048F","","","0.71073","MoKα","","0.0312","0.025","","","0.0654","0.0704","","","","","","1.0476","","","","has coordinates","283218","2023-05-05","01:28:15",""
"7246364","21.0161","0.0011","15.2805","0.0006","11.3726","0.0005","90","","90","","90","","3652.2","0.3","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","none","dimethyl trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylate pyridine clathrate","","- C22.5 H20.5 N0.5 O4 -","- C20 H18 O4 -","- C160 H144 O32 -","8","1","","Barton, Benita; Caira, Mino R.; Senekal, Ulrich; Hosten, Eric C.","Complementary host behaviour of three anthracenyl-derived roof-shaped compounds in mixed pyridines","CrystEngComm","2023","25","12","1740","1754","10.1039/D3CE00080J","","","0.71073","MoKα","","0.0442","0.0386","","","0.0985","0.1024","","","","","","1.037","","","","has coordinates","282334","2023-04-04","10:16:01",""
"7246365","21.2925","0.0013","15.5355","0.001","11.4506","0.0006","90","","90","","90","","3787.7","0.4","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","trans-dimethyl 9,10-dihydro-9,10- ethanoanthracene-11,12-dicarboxylate","","- C22 H20.333 N0.333 O4 -","- C21.9998 H20.3331 N0.3333 O4 -","- C175.998 H162.665 N2.6664 O32 -","8","1","","Barton, Benita; Caira, Mino R.; Senekal, Ulrich; Hosten, Eric C.","Complementary host behaviour of three anthracenyl-derived roof-shaped compounds in mixed pyridines","CrystEngComm","2023","25","12","1740","1754","10.1039/D3CE00080J","","","0.71073","MoKα","","0.085","0.0601","","","0.1645","0.1974","","","","","","1.073","","","","has coordinates,has disorder","282334","2023-04-04","10:16:02",""
"7246366","22.263","0.002","9.8738","0.0009","35.777","0.004","90","","93.222","0.006","90","","7852.1","1.3","296","2","296","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","trans-α,α,α',α'-tetraphenyl-9,10-dihydro-9,10-ethanoanthracene-11,12-dimethanol","","- C102 H89 N3 O4 -","- C102 H89 N3 O4 -","- C408 H356 N12 O16 -","4","0.5","","Barton, Benita; Caira, Mino R.; Senekal, Ulrich; Hosten, Eric C.","Complementary host behaviour of three anthracenyl-derived roof-shaped compounds in mixed pyridines","CrystEngComm","2023","25","12","1740","1754","10.1039/D3CE00080J","","","0.71073","MoKα","","0.0839","0.0507","","","0.1291","0.1514","","","","","","1.034","","","","has coordinates,has disorder","282334","2023-04-04","10:16:02",""
"7246367","21.396","0.0012","15.5788","0.0009","11.3832","0.0006","90","","90","","90","","3794.3","0.4","200","2","200","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","trans-dimethyl 9,10-dihydro-9,10- ethanoanthracene-11,12-dicarboxylate","","- C46 H43 N O8 -","- C46 H43 N O8 -","- C184 H172 N4 O32 -","4","0.5","","Barton, Benita; Caira, Mino R.; Senekal, Ulrich; Hosten, Eric C.","Complementary host behaviour of three anthracenyl-derived roof-shaped compounds in mixed pyridines","CrystEngComm","2023","25","12","1740","1754","10.1039/D3CE00080J","","","0.71073","MoKα","","0.0841","0.0695","","","0.209","0.229","","","","","","1.044","","","","has coordinates,has disorder","282334","2023-04-04","10:16:02",""
"7246368","15.7544","0.0007","25.0313","0.0011","40.1189","0.0016","90","","90","","90","","15821","1.2","296","2","296","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","trans-α,α,α',α'-tetra(p-chlorophenyl)-9,10-dihydro-9,10-ethanoanthracene-11,12-dimethanol","","- C48 H37 Cl4 N O2 -","- C48 H37 Cl4 N O2 -","- C768 H592 Cl64 N16 O32 -","16","0.5","","Barton, Benita; Caira, Mino R.; Senekal, Ulrich; Hosten, Eric C.","Complementary host behaviour of three anthracenyl-derived roof-shaped compounds in mixed pyridines","CrystEngComm","2023","25","12","1740","1754","10.1039/D3CE00080J","","","0.71073","MoKα","","0.0971","0.0594","","","0.1615","0.1968","","","","","","1.016","","","","has coordinates,has disorder","282334","2023-04-04","10:16:02",""
"7246369","11.2912","0.0006","21.2529","0.0013","15.8162","0.001","90","","90.136","0.003","90","","3795.4","0.4","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","trans-dimethyl 9,10-dihydro-9,10- ethanoanthracene-11,12-dicarboxylate","","- C46 H43 N O8 -","- C46 H43 N O8 -","- C184 H172 N4 O32 -","4","1","","Barton, Benita; Caira, Mino R.; Senekal, Ulrich; Hosten, Eric C.","Complementary host behaviour of three anthracenyl-derived roof-shaped compounds in mixed pyridines","CrystEngComm","2023","25","12","1740","1754","10.1039/D3CE00080J","","","0.71073","MoKα","","0.0636","0.0552","","","0.1512","0.1648","","","","","","1.043","","","","has coordinates,has disorder","282334","2023-04-04","10:16:02",""
"7246370","18.95","0.004","8.983","0.002","22.253","0.005","90","","107.012","0.009","90","","3622.3","1.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","trans-α,α,α',α'-tetraphenyl-9,10-dihydro-9,10-ethanoanthracene-11,12-dimethanol","","- C48 H41 N O2 -","- C48 H41 N O2 -","- C192 H164 N4 O8 -","4","1","","Barton, Benita; Caira, Mino R.; Senekal, Ulrich; Hosten, Eric C.","Complementary host behaviour of three anthracenyl-derived roof-shaped compounds in mixed pyridines","CrystEngComm","2023","25","12","1740","1754","10.1039/D3CE00080J","","","0.71073","MoKα","","0.0651","0.0463","","","0.1159","0.1321","","","","","","1.035","","","","has coordinates","282334","2023-04-04","10:16:02",""
"7246371","15.5845","0.0013","24.9973","0.0019","40.03","0.004","90","","90","","90","","15595","2","173","2","173","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","none","1,1,1',1'-tetrakis(p-Chlorophenyl)-(9,10-ethanoanthracene-trans-11,12-diyl)dimethanol 2-methylpyridine clathrate'","","- C48 H37 Cl4 N O2 -","- C48 H37 Cl4 N O2 -","- C768 H592 Cl64 N16 O32 -","16","0.5","","Barton, Benita; Caira, Mino R.; Senekal, Ulrich; Hosten, Eric C.","Complementary host behaviour of three anthracenyl-derived roof-shaped compounds in mixed pyridines","CrystEngComm","2023","25","12","1740","1754","10.1039/D3CE00080J","","","0.71073","MoKα","","0.057","0.0515","","","0.1252","0.129","","","","","","1.117","","","","has coordinates","282334","2023-04-04","10:16:02",""
"7246372","7.3058","0.0011","10.1615","0.0014","12.4124","0.0018","105.388","0.006","106.574","0.006","100.321","0.006","818.5","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H16 Cl2 N2 O3 S -","- C15 H16 Cl2 N2 O3 S -","- C30 H32 Cl4 N4 O6 S2 -","2","1","","Kolesnik, Irina A.; Potkin, Vladimir I.; Grigoriev, Mikhail S.; Novikov, Anton P.; Gomila, Rosa M.; Podrezova, Alexandra G.; Brazhkin, Vadim V.; Zubkov, Fedor I.; Frontera, Antonio","Synthesis, X-ray characterization and DFT calculations of a series of 3-substituted 4,5-dichloroisothiazoles","CrystEngComm","2023","25","13","1976","1985","10.1039/D3CE00112A","","","0.71073","MoKα","","0.1396","0.0633","","","0.1243","0.152","","","","","","0.965","","","","has coordinates","282323","2023-04-04","10:11:30",""
"7246373","8.7279","0.0003","9.6603","0.0003","11.4482","0.0004","86.524","0.003","77.743","0.003","71.031","0.003","891.98","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H18 Cl2 N2 O4 S -","- C16 H18 Cl2 N2 O4 S -","- C32 H36 Cl4 N4 O8 S2 -","2","1","","Kolesnik, Irina A.; Potkin, Vladimir I.; Grigoriev, Mikhail S.; Novikov, Anton P.; Gomila, Rosa M.; Podrezova, Alexandra G.; Brazhkin, Vadim V.; Zubkov, Fedor I.; Frontera, Antonio","Synthesis, X-ray characterization and DFT calculations of a series of 3-substituted 4,5-dichloroisothiazoles","CrystEngComm","2023","25","13","1976","1985","10.1039/D3CE00112A","","","1.54184","CuKα","","0.0421","0.0415","","","0.1139","0.1147","","","","","","1.061","","","","has coordinates","282323","2023-04-04","10:11:33",""
"7246374","7.2276","0.0005","26.5464","0.0019","8.5613","0.0006","90","","112.99","0.003","90","","1512.16","0.19","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H14 Cl2 N2 O2 S -","- C14 H14 Cl2 N2 O2 S -","- C56 H56 Cl8 N8 O8 S4 -","4","2","","Kolesnik, Irina A.; Potkin, Vladimir I.; Grigoriev, Mikhail S.; Novikov, Anton P.; Gomila, Rosa M.; Podrezova, Alexandra G.; Brazhkin, Vadim V.; Zubkov, Fedor I.; Frontera, Antonio","Synthesis, X-ray characterization and DFT calculations of a series of 3-substituted 4,5-dichloroisothiazoles","CrystEngComm","2023","25","13","1976","1985","10.1039/D3CE00112A","","","0.71073","MoKα","","0.084","0.0507","","","0.0867","0.0982","","","","","","1.016","","","","has coordinates","282323","2023-04-04","10:11:36",""
"7246375","8.1335","0.0002","9.2637","0.0002","10.0924","0.0003","72.817","0.002","72.328","0.003","76.935","0.002","684.39","0.03","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H9 Cl2 N3 O2 S -","- C12 H9 Cl2 N3 O2 S -","- C24 H18 Cl4 N6 O4 S2 -","2","1","","Kolesnik, Irina A.; Potkin, Vladimir I.; Grigoriev, Mikhail S.; Novikov, Anton P.; Gomila, Rosa M.; Podrezova, Alexandra G.; Brazhkin, Vadim V.; Zubkov, Fedor I.; Frontera, Antonio","Synthesis, X-ray characterization and DFT calculations of a series of 3-substituted 4,5-dichloroisothiazoles","CrystEngComm","2023","25","13","1976","1985","10.1039/D3CE00112A","","","1.54184","CuKα","","0.0363","0.0358","","","0.0985","0.0992","","","","","","1.031","","","","has coordinates","282323","2023-04-04","10:11:36",""
"7246376","12.2812","0.0006","7.35","0.0004","17.434","0.0009","90","","97.212","0.002","90","","1561.26","0.14","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H14 Cl2 N2 O4 S -","- C14 H14 Cl2 N2 O4 S -","- C56 H56 Cl8 N8 O16 S4 -","4","2","","Kolesnik, Irina A.; Potkin, Vladimir I.; Grigoriev, Mikhail S.; Novikov, Anton P.; Gomila, Rosa M.; Podrezova, Alexandra G.; Brazhkin, Vadim V.; Zubkov, Fedor I.; Frontera, Antonio","Synthesis, X-ray characterization and DFT calculations of a series of 3-substituted 4,5-dichloroisothiazoles","CrystEngComm","2023","25","13","1976","1985","10.1039/D3CE00112A","","","0.71073","MoKα","","0.0446","0.0362","","","0.0697","0.0727","","","","","","1.037","","","","has coordinates","282323","2023-04-04","10:11:36",""
"7246377","7.542","0.0014","8.8365","0.0016","11.384","0.002","83.566","0.006","83.963","0.006","88.682","0.006","749.7","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H11 Cl2 N3 O3 S -","- C13 H11 Cl2 N3 O3 S -","- C26 H22 Cl4 N6 O6 S2 -","2","1","","Kolesnik, Irina A.; Potkin, Vladimir I.; Grigoriev, Mikhail S.; Novikov, Anton P.; Gomila, Rosa M.; Podrezova, Alexandra G.; Brazhkin, Vadim V.; Zubkov, Fedor I.; Frontera, Antonio","Synthesis, X-ray characterization and DFT calculations of a series of 3-substituted 4,5-dichloroisothiazoles","CrystEngComm","2023","25","13","1976","1985","10.1039/D3CE00112A","","","0.71073","MoKα","","0.1077","0.0527","","","0.1013","0.1207","","","","","","0.993","","","","has coordinates","282323","2023-04-04","10:11:36",""
"7246378","17.6312","0.0007","19.4232","0.0004","31.839","0.0012","104.948","0.003","103.585","0.003","90.131","0.003","10216.7","0.6","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C141 H114 N13 O33 Zn6 -","- C141 H114 N13 O33 Zn6 -","- C282 H228 N26 O66 Zn12 -","2","1","","Delledonne, Andrea; Orlandini, Martina; Terenziani, Francesca; Mazzeo, Paolo Pio; Bacchi, Alessia; Carlucci, Lucia; Comotti, Angiolina; Perego, Jacopo; Pelagatti, Paolo","Luminescence properties of mixed-ligand MOFs containing fluorene scaffolds functionalized with isonicotinoyl arms","CrystEngComm","2023","25","14","2085","2095","10.1039/D3CE00087G","","","0.7","synchrotron","","0.1688","0.1422","","","0.4017","0.4218","","","","","","1.512","","","","has coordinates","282339","2023-04-04","10:18:35",""
"7246379","31.752","0.002","17.8208","0.0005","19.1271","0.0008","90","","105.392","0.006","90","","10434.8","0.9","293","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H41 N5 O16 Zn3 -","- C64 H41 N5 O16 Zn3 -","- C256 H164 N20 O64 Zn12 -","4","1","","Delledonne, Andrea; Orlandini, Martina; Terenziani, Francesca; Mazzeo, Paolo Pio; Bacchi, Alessia; Carlucci, Lucia; Comotti, Angiolina; Perego, Jacopo; Pelagatti, Paolo","Luminescence properties of mixed-ligand MOFs containing fluorene scaffolds functionalized with isonicotinoyl arms","CrystEngComm","2023","25","14","2085","2095","10.1039/D3CE00087G","","","0.7","synchrotron","","0.2076","0.1563","","","0.429","0.4615","","","","","","1.467","","","","has coordinates,has disorder","282339","2023-04-04","10:18:35",""
"7246380","32.28","0.06","17.76","0.03","19.21","0.03","90","","104.08","0.05","90","","10682","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C65.5 H46.5 N5.5 O15.5 Zn3 -","- C65.5 H46.5 N5.5 O15.5 Zn3 -","- C262 H186 N22 O62 Zn12 -","4","1","","Delledonne, Andrea; Orlandini, Martina; Terenziani, Francesca; Mazzeo, Paolo Pio; Bacchi, Alessia; Carlucci, Lucia; Comotti, Angiolina; Perego, Jacopo; Pelagatti, Paolo","Luminescence properties of mixed-ligand MOFs containing fluorene scaffolds functionalized with isonicotinoyl arms","CrystEngComm","2023","25","14","2085","2095","10.1039/D3CE00087G","","","0.7","synchrotron","","0.1675","0.1013","","","0.2967","0.3684","","","","","","1.025","","","","has coordinates,has disorder","282339","2023-04-04","10:18:35",""
"7246381","17.3665","0.0008","11.9235","0.0006","14.1752","0.0007","90","","109.802","0.002","90","","2761.7","0.2","200","2","200","2","","","","","","","","3","C 1 2 1","C 2y","5","2DMT/o-cresol","(R,R)-(-)-2,3-dimethoxy-1,1,4,4-tetraphenylbutane-1,4-diol","","- C67 H68 O9 -","- C67 H68 O9 -","- C134 H136 O18 -","2","0.5","","Barton, Benita; Pohl, Pieter L.; Hosten, Eric C.","An investigation of the selectivity behaviour of host compound (R,R)-(−)-2,3-dimethoxy-1,1,4,4-tetraphenylbutane-1,4-diol in mixed cresols","CrystEngComm","2023","25","12","1731","1739","10.1039/D3CE00101F","","","0.71073","MoKα","","0.0368","0.0326","","","0.0861","0.0891","","","","","","1.019","","","","has coordinates,has disorder","282337","2023-04-04","10:16:53",""
"7246382","17.3219","0.0009","12.0646","0.0006","14.1378","0.0007","90","","110.136","0.002","90","","2774","0.2","200","2","200","2","","","","","","","","3","C 1 2 1","C 2y","5","2DMT/m-cresol","(R,R)-(-)-2,3-dimethoxy-1,1,4,4-tetraphenylbutane-1,4-diol","","- C67 H68 O9 -","- C67 H68 O9 -","- C134 H136 O18 -","2","0.5","","Barton, Benita; Pohl, Pieter L.; Hosten, Eric C.","An investigation of the selectivity behaviour of host compound (R,R)-(−)-2,3-dimethoxy-1,1,4,4-tetraphenylbutane-1,4-diol in mixed cresols","CrystEngComm","2023","25","12","1731","1739","10.1039/D3CE00101F","","","0.71073","MoKα","","0.0418","0.0349","","","0.0886","0.0931","","","","","","1.03","","","","has coordinates,has disorder","282337","2023-04-04","10:17:02",""
"7246383","17.3436","0.0012","12.0126","0.0008","14.0767","0.001","90","","110.152","0.003","90","","2753.2","0.3","200","2","200","2","","","","","","","","3","C 1 2 1","C 2y","5","2DMT/p-cresol","(R,R)-(-)-2,3-dimethoxy-1,1,4,4-tetraphenylbutane-1,4-diol","","- C67 H68 O9 -","- C67 H68 O9 -","- C134 H136 O18 -","2","0.5","","Barton, Benita; Pohl, Pieter L.; Hosten, Eric C.","An investigation of the selectivity behaviour of host compound (R,R)-(−)-2,3-dimethoxy-1,1,4,4-tetraphenylbutane-1,4-diol in mixed cresols","CrystEngComm","2023","25","12","1731","1739","10.1039/D3CE00101F","","","0.71073","MoKα","","0.0393","0.0333","","","0.0838","0.0874","","","","","","1.034","","","","has coordinates,has disorder","282337","2023-04-04","10:17:06",""
"7246384","7.4921","0.0002","6.3776","0.0001","12.2609","0.0003","90","","106.057","0.002","90","","562.99","0.02","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H10 F N3 O5 -","- C11 H10 F N3 O5 -","- C22 H20 F2 N6 O10 -","2","1","","Bu, Fan-Zhi; Yu, Yue-Ming; Zhang, Lin-Lin; Yan, Cui-Wei; Wu, Zhi-Yong; Li, Yan-Tuan","Salification-driven strategy toward the hydrophobic molecular salt of the antifungal drug 5-fluorocytosine and protocatechuic acid with triple-helix structure offers an innovative insight for conquering adverse drug reactions","CrystEngComm","2023","25","13","1951","1964","10.1039/D2CE01523D","","","1.54178","CuKα","","0.0232","0.0231","","","0.0621","0.0622","","","","","","1.111","","","","has coordinates","282320","2023-04-04","10:10:19",""
"7246397","7.754","0.006","9.591","0.009","11.88","0.011","85.36","0.03","80.05","0.02","70.72","0.02","821.1","1.3","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H10 Cl2 N2 O6 S2 -","- C10 H10 Cl2 N2 O6 S2 -","- C20 H20 Cl4 N4 O12 S4 -","2","1","","Kar, Ananya; Giri, Lopamudra; Kenguva, Gowtham; Rout, Smruti Rekha; Dandela, Rambabu","Exploration and investigation of various solid forms of an anti-glaucoma drug – dichlorphenamide","CrystEngComm","2023","25","13","1874","1883","10.1039/D2CE01690G","","","0.71073","MoKα","","0.1007","0.072","","","0.1928","0.2135","","","","","","1.231","","","","has coordinates","282321","2023-04-04","10:10:39",""
"7246398","11.91","0.001","9.772","0.001","18.427","0.001","90","","100.1","0.01","90","","2111.4","0.3","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 Cl2 N2 O4 S2 -","- C6 H6 Cl2 N2 O4 S2 -","- C48 H48 Cl16 N16 O32 S16 -","8","2","","Kar, Ananya; Giri, Lopamudra; Kenguva, Gowtham; Rout, Smruti Rekha; Dandela, Rambabu","Exploration and investigation of various solid forms of an anti-glaucoma drug – dichlorphenamide","CrystEngComm","2023","25","13","1874","1883","10.1039/D2CE01690G","","","0.71073","MoKα","","0.0387","0.0327","","","0.0779","0.0819","","","","","","1.057","","","","has coordinates","282321","2023-04-04","10:10:50",""
"7246399","15.172","0.004","11.583","0.005","29.439","0.005","90","","95.35","0.02","90","","5151","3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 Cl2 Cu2 N8 O10 S2 -","- C14 H18 Cl2 Cu2 N8 O10 S2 -","- C112 H144 Cl16 Cu16 N64 O80 S16 -","8","1","","Gil-García, Rubén; Madariaga, Gotzon; Jiménez-Pérez, Alondra; Herrán-Torres, Ignacio; Gago-González, Adrián; Ugalde, María; Januskaitis, Vaidas; Barrera-García, Joaquín; Insausti, Maite; S. Galletero, María; Borrás, Joaquín; Cuevas, José Vicente; Pedrido, Rosa; Gómez-Saiz, Patricia; Lezama, Luis; García-Tojal, Javier","Perchlorate-induced structural diversity in thiosemicarbazone copper(ii) complexes provides insights to understand the reactivity in acidic and basic media","CrystEngComm","2023","25","15","2213","2226","10.1039/D3CE00119A","","","0.71069","MoKα","","0.0532","0.0361","","","","0.0955","","","","","","0.939","","","","has coordinates","283219","2023-05-05","01:28:28",""
"7246400","14.812","0.014","9.144","0.004","17.494","0.009","90","","104.95","0.09","90","","2289","3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 Cl2 Cu2 N8 O8 S2 -","- C14 H14 Cl2 Cu2 N8 O8 S2 -","- C56 H56 Cl8 Cu8 N32 O32 S8 -","4","0.5","","Gil-García, Rubén; Madariaga, Gotzon; Jiménez-Pérez, Alondra; Herrán-Torres, Ignacio; Gago-González, Adrián; Ugalde, María; Januskaitis, Vaidas; Barrera-García, Joaquín; Insausti, Maite; S. Galletero, María; Borrás, Joaquín; Cuevas, José Vicente; Pedrido, Rosa; Gómez-Saiz, Patricia; Lezama, Luis; García-Tojal, Javier","Perchlorate-induced structural diversity in thiosemicarbazone copper(ii) complexes provides insights to understand the reactivity in acidic and basic media","CrystEngComm","2023","25","15","2213","2226","10.1039/D3CE00119A","","","0.71069","MoKα","","0.1265","0.0516","","","","0.1329","","","","","","0.802","","","","has coordinates","283219","2023-05-05","01:28:29",""
"7246401","14.429","0.006","18.17","0.013","13.688","0.005","90","","118.29","0.04","90","","3160","3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C14 H22 Cl4 Cu2 N8 O19 S2 -","- C14 H22 Cl4 Cu2 N8 O19 S2 -","- C56 H88 Cl16 Cu8 N32 O76 S8 -","4","0.5","","Gil-García, Rubén; Madariaga, Gotzon; Jiménez-Pérez, Alondra; Herrán-Torres, Ignacio; Gago-González, Adrián; Ugalde, María; Januskaitis, Vaidas; Barrera-García, Joaquín; Insausti, Maite; S. Galletero, María; Borrás, Joaquín; Cuevas, José Vicente; Pedrido, Rosa; Gómez-Saiz, Patricia; Lezama, Luis; García-Tojal, Javier","Perchlorate-induced structural diversity in thiosemicarbazone copper(ii) complexes provides insights to understand the reactivity in acidic and basic media","CrystEngComm","2023","25","15","2213","2226","10.1039/D3CE00119A","","","0.71069","MoKα","","0.1104","0.0453","","","","0.1032","","","","","","0.832","","","","has coordinates","283219","2023-05-05","01:28:29",""
"7246402","16.963","0.003","10.1822","0.0013","18.387","0.003","90","","91.86","0.014","90","","3174.1","0.9","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H25 Cl Cu2 N12 O6 S3 -","- C21 H25 Cl Cu2 N12 O6 S3 -","- C84 H100 Cl4 Cu8 N48 O24 S12 -","4","1","","Gil-García, Rubén; Madariaga, Gotzon; Jiménez-Pérez, Alondra; Herrán-Torres, Ignacio; Gago-González, Adrián; Ugalde, María; Januskaitis, Vaidas; Barrera-García, Joaquín; Insausti, Maite; S. Galletero, María; Borrás, Joaquín; Cuevas, José Vicente; Pedrido, Rosa; Gómez-Saiz, Patricia; Lezama, Luis; García-Tojal, Javier","Perchlorate-induced structural diversity in thiosemicarbazone copper(ii) complexes provides insights to understand the reactivity in acidic and basic media","CrystEngComm","2023","25","15","2213","2226","10.1039/D3CE00119A","","","0.71069","MoKα","","0.187","0.0516","","","","0.1234","","","","","","0.823","","","","has coordinates","283219","2023-05-05","01:28:29",""
"7246403","14.95","0.005","6.5697","0.0017","15.01","0.005","90","","106.96","0.02","90","","1410.1","0.8","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C8 H8 Cl Cu N5 O4 S2 -","- C8 H8 Cl Cu N5 O4 S2 -","- C32 H32 Cl4 Cu4 N20 O16 S8 -","4","0.5","","Gil-García, Rubén; Madariaga, Gotzon; Jiménez-Pérez, Alondra; Herrán-Torres, Ignacio; Gago-González, Adrián; Ugalde, María; Januskaitis, Vaidas; Barrera-García, Joaquín; Insausti, Maite; S. Galletero, María; Borrás, Joaquín; Cuevas, José Vicente; Pedrido, Rosa; Gómez-Saiz, Patricia; Lezama, Luis; García-Tojal, Javier","Perchlorate-induced structural diversity in thiosemicarbazone copper(ii) complexes provides insights to understand the reactivity in acidic and basic media","CrystEngComm","2023","25","15","2213","2226","10.1039/D3CE00119A","","","0.71069","MoKα","","0.1265","0.0497","","","","0.1154","","","","","","0.836","","","","has coordinates","283219","2023-05-05","01:28:29",""
"7246404","12.1962","0.0001","14.5964","0.0001","15.1337","0.0002","90","","90","","90","","2694.11","0.05","276.85","0.13","276.85","0.13","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H30 B Br -","- C32 H30 B Br -","- C128 H120 B4 Br4 -","4","1","","Xie, Yangbin; Dai, Songshan; Wang, Yue; Wang, Xi; Sun, Ying; Ju, Zhenghua; Fang, Ran; Zhang, Baoxin; Wu, Jincai; Zhang, Xiaoxiang; Pan, Xiaobo","Structural and mechanistic studies of excitation- and temperature-tunable multicolor luminescence of triarylborane","CrystEngComm","2023","25","15","2204","2212","10.1039/D2CE01590K","","","1.54178","CuKα","","0.0343","0.0326","","","0.0918","0.0932","","","","","","1.048","","","","has coordinates,has disorder","283214","2023-05-05","01:26:50",""
"7246405","12.1948","0.00012","14.5982","0.00014","15.13607","0.00015","90","","90","","90","","2694.56","0.05","275.58","0.1","275.58","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H30 B Br -","- C32 H30 B Br -","- C128 H120 B4 Br4 -","4","1","","Xie, Yangbin; Dai, Songshan; Wang, Yue; Wang, Xi; Sun, Ying; Ju, Zhenghua; Fang, Ran; Zhang, Baoxin; Wu, Jincai; Zhang, Xiaoxiang; Pan, Xiaobo","Structural and mechanistic studies of excitation- and temperature-tunable multicolor luminescence of triarylborane","CrystEngComm","2023","25","15","2204","2212","10.1039/D2CE01590K","","x-ray","1.54184","CuKα","","0.032","0.0304","","","0.0849","0.0861","","","","","","1.056","","","","has coordinates","283214","2023-05-05","01:26:53",""
"7246406","9.3292","0.0005","12.1601","0.0004","12.7627","0.0005","71.759","0.003","81.597","0.004","81.225","0.004","1351.51","0.1","298.78","0.1","298.78","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C32 H30 B Br -","- C32 H30 B Br -","- C64 H60 B2 Br2 -","2","1","","Xie, Yangbin; Dai, Songshan; Wang, Yue; Wang, Xi; Sun, Ying; Ju, Zhenghua; Fang, Ran; Zhang, Baoxin; Wu, Jincai; Zhang, Xiaoxiang; Pan, Xiaobo","Structural and mechanistic studies of excitation- and temperature-tunable multicolor luminescence of triarylborane","CrystEngComm","2023","25","15","2204","2212","10.1039/D2CE01590K","","x-ray","1.54184","CuKα","","0.0514","0.0445","","","0.1197","0.1246","","","","","","1.023","","","","has coordinates","283214","2023-05-05","01:26:55",""
"7246407","9.3353","0.0005","12.1678","0.0004","12.7548","0.0006","71.785","0.004","81.609","0.004","81.171","0.003","1352.49","0.11","298.86","0.1","298.86","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C32 H30 B Br -","- C32 H30 B Br -","- C64 H60 B2 Br2 -","2","1","","Xie, Yangbin; Dai, Songshan; Wang, Yue; Wang, Xi; Sun, Ying; Ju, Zhenghua; Fang, Ran; Zhang, Baoxin; Wu, Jincai; Zhang, Xiaoxiang; Pan, Xiaobo","Structural and mechanistic studies of excitation- and temperature-tunable multicolor luminescence of triarylborane","CrystEngComm","2023","25","15","2204","2212","10.1039/D2CE01590K","","x-ray","1.54184","CuKα","","0.0532","0.0457","","","0.1269","0.1323","","","","","","1.041","","","","has coordinates","283214","2023-05-05","01:26:55",""
"7246408","12.1955","0.0001","14.5967","0.0001","15.1339","0.0001","90","","90","","90","","2694.05","0.03","276.17","0.13","276.17","0.13","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H30 B Br -","- C32 H30 B Br -","- C128 H120 B4 Br4 -","4","1","","Xie, Yangbin; Dai, Songshan; Wang, Yue; Wang, Xi; Sun, Ying; Ju, Zhenghua; Fang, Ran; Zhang, Baoxin; Wu, Jincai; Zhang, Xiaoxiang; Pan, Xiaobo","Structural and mechanistic studies of excitation- and temperature-tunable multicolor luminescence of triarylborane","CrystEngComm","2023","25","15","2204","2212","10.1039/D2CE01590K","","x-ray","1.54184","CuKα","","0.0356","0.0339","","","0.093","0.0941","","","","","","1.05","","","","has coordinates,has disorder","283214","2023-05-05","01:27:05",""
"7246409","12.18719","0.00019","14.6021","0.0002","15.1221","0.0002","90","","90","","90","","2691.11","0.07","299.5","0.18","299.5","0.18","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H30 B Br -","- C32 H30 B Br -","- C128 H120 B4 Br4 -","4","1","","Xie, Yangbin; Dai, Songshan; Wang, Yue; Wang, Xi; Sun, Ying; Ju, Zhenghua; Fang, Ran; Zhang, Baoxin; Wu, Jincai; Zhang, Xiaoxiang; Pan, Xiaobo","Structural and mechanistic studies of excitation- and temperature-tunable multicolor luminescence of triarylborane","CrystEngComm","2023","25","15","2204","2212","10.1039/D2CE01590K","","x-ray","1.54184","CuKα","","0.0402","0.0384","","","0.1023","0.1039","","","","","","1.085","","","","has coordinates","283214","2023-05-05","01:27:08",""
"7246410","9.3313","0.0003","12.1551","0.0003","12.7667","0.0003","71.773","0.002","81.625","0.002","81.167","0.002","1351.7","0.07","275.5","0.3","275.5","0.3","","","","","","","","4","P -1","-P 1","2","","","","- C32 H30 B Br -","- C32 H30 B Br -","- C64 H60 B2 Br2 -","2","1","","Xie, Yangbin; Dai, Songshan; Wang, Yue; Wang, Xi; Sun, Ying; Ju, Zhenghua; Fang, Ran; Zhang, Baoxin; Wu, Jincai; Zhang, Xiaoxiang; Pan, Xiaobo","Structural and mechanistic studies of excitation- and temperature-tunable multicolor luminescence of triarylborane","CrystEngComm","2023","25","15","2204","2212","10.1039/D2CE01590K","","x-ray","1.54184","CuKα","","0.0583","0.05","","","0.1448","0.1549","","","","","","1.0415","","","","has coordinates","283214","2023-05-05","01:27:10",""
"7246411","7.1754","0.0006","13.8861","0.0011","10.7991","0.0008","90","","104.604","0.003","90","","1041.24","0.14","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H13 N3 O3 -","- C10 H13 N3 O3 -","- C40 H52 N12 O12 -","4","1","","Panja, Anangamohan; Das, Mainak; Jana, Narayan Ch.; Brandão, Paula; Gomila, Rosa M.; Ortega-Castro, Joaquín; Frontera, Antonio; Ray, Partha Pratim","Combined experimental and theoretical studies of conformationally diverse (thio)semicarbazone-based semiconducting materials","CrystEngComm","2023","25","14","2133","2143","10.1039/D3CE00137G","","","0.71073","MoKα","","0.0463","0.0375","","","0.1069","0.1151","","","","","","1.05","","","","has coordinates","282311","2023-04-04","10:07:15",""
"7246412","7.919","0.008","10.604","0.009","13.971","0.014","89.16","0.03","78","0.04","78.24","0.03","1123","1.9","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H13 N3 O2 S -","- C10 H13 N3 O2 S -","- C40 H52 N12 O8 S4 -","4","2","","Panja, Anangamohan; Das, Mainak; Jana, Narayan Ch.; Brandão, Paula; Gomila, Rosa M.; Ortega-Castro, Joaquín; Frontera, Antonio; Ray, Partha Pratim","Combined experimental and theoretical studies of conformationally diverse (thio)semicarbazone-based semiconducting materials","CrystEngComm","2023","25","14","2133","2143","10.1039/D3CE00137G","","","0.71073","MoKα","","0.0506","0.039","","","0.1051","0.1142","","","","","","1.03","","","","has coordinates","282311","2023-04-04","10:07:15",""
"7246422","11.3761","0.0007","4.3405","0.0003","14.3469","0.0009","90","","90","","90","","708.42","0.08","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Cu Eu Gd Te3 -","- Cu Eu Gd Te3 -","- Cu4 Eu4 Gd4 Te12 -","4","0.5","","Ruseikina, Anna V.; Grigoriev, Maxim V.; Garmonov, Alexander A.; Molokeev, Maxim S.; Schleid, Thomas; Safin, Damir A.","Synthesis, structures and magnetic properties of the Eu-based quaternary tellurides EuGdCuTe3 and EuLuCuTe3","CrystEngComm","2023","25","12","1716","1722","10.1039/D2CE01578A","","","0.71069","MoKα","","0.0325","0.0248","","","0.0583","0.0605","","","","","","1.082","","","","has coordinates","282336","2023-04-04","10:16:37",""
"7246423","4.2937","0.0003","14.2876","0.0009","11.1174","0.0007","90","","90","","90","","682.02","0.08","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cu Eu Lu Te3 -","- Cu Eu Lu Te3 -","- Cu4 Eu4 Lu4 Te12 -","4","0.25","","Ruseikina, Anna V.; Grigoriev, Maxim V.; Garmonov, Alexander A.; Molokeev, Maxim S.; Schleid, Thomas; Safin, Damir A.","Synthesis, structures and magnetic properties of the Eu-based quaternary tellurides EuGdCuTe3 and EuLuCuTe3","CrystEngComm","2023","25","12","1716","1722","10.1039/D2CE01578A","","","0.71069","MoKα","","0.0384","0.0297","","","0.0646","0.0671","","","","","","1.115","","","","has coordinates","282336","2023-04-04","10:16:40",""
"7246424","9.4797","0.001","15.7695","0.0016","6.796","0.0008","90","","94.474","0.004","90","","1012.84","0.19","273.15","","273.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","C4H11CdCl4N","","- C4 H11 Cd Cl4 N -","- C4 H11 Cd Cl4 N -","- C16 H44 Cd4 Cl16 N4 -","4","1","","Shen, Chuanying; Liu, Jie; Wu, Kui; Xu, Longyun; Sun, Defu; Dang, Yangyang; Wang, Jiyang; Wang, Duanliang","High stability and moderate second-order nonlinear optical properties of hybrid lead-free perovskite [(CH3)3NCH2Cl]CdCl3 bulk crystals","CrystEngComm","2023","25","15","2264","2270","10.1039/D3CE00145H","","","0.71073","MoKα","","0.0223","0.018","","","0.0387","0.0401","","","","","","1.07","","","","has coordinates","283211","2023-05-05","01:25:41",""
"7246430","6.6303","0.0004","7.8338","0.0005","7.9449","0.0005","117.137","0.002","93.126","0.002","111.674","0.002","328.63","0.04","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H14 N16 O2 -","- C4 H14 N16 O2 -","- C4 H14 N16 O2 -","1","0.5","","Zhou, Jianxin; Li, Xinyi; Hou, Tianyang; Xu, Ze; Wang, Pengcheng; Lu, Ming; Xu, Yuangang","Improving the stability of hydrazinium pentazolate through cocrystallization","CrystEngComm","2023","25","14","2027","2031","10.1039/D2CE01707E","","","0.71073","MoKα","","0.0601","0.0498","","","0.1337","0.1419","","","","","","1.076","","","","has coordinates","282312","2023-04-04","10:07:32",""
"7246431","3.7348","0.001","11.013","0.003","5.7044","0.0014","90","","96.47","0.01","90","","233.14","0.11","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H4 N2 O2 -","- C4 H4 N2 O2 -","- C8 H8 N4 O4 -","2","0.5","","Zhou, Jianxin; Li, Xinyi; Hou, Tianyang; Xu, Ze; Wang, Pengcheng; Lu, Ming; Xu, Yuangang","Improving the stability of hydrazinium pentazolate through cocrystallization","CrystEngComm","2023","25","14","2027","2031","10.1039/D2CE01707E","","","0.71073","MoKα","","0.0529","0.039","","","0.0912","0.1011","","","","","","1.042","","","","has coordinates","282312","2023-04-04","10:07:42",""
"7246432","18.8216","0.0002","9.2134","0.0002","12.654","0.0004","90","","99.552","0.007","90","","2163.92","0.1","200","2","200","2","","","","","","","","6","P 1 c 1","P -2yc","7","","4-[4-(4-Methoxyphenyl)-1,3-butadienyl]-1-methylpyridinium 4-chlorobenzene sulfonate","","- C23 H22 Cl N O4 S -","- C23 H22 Cl N O4 S -","- C92 H88 Cl4 N4 O16 S4 -","4","2","","Arul, Anand; Ramaclus, Jerald Vijay","4-[4-(4-Methoxyphenyl)-1,3-butadienyl]-1-methylpyridinium 4-chlorobenzene sulphonate (MBMPCBS) – an efficient nonlinear optical crystal with superior thermal stability","CrystEngComm","2023","25","17","2534","2545","10.1039/D3CE00090G","","","0.71073","MoKα","","0.0726","0.0583","","","0.1462","0.1582","","","","","","1.043","","","","has coordinates,has disorder","283200","2023-05-05","01:19:20",""
"7246433","6.3116","0.0012","7.6593","0.0013","33.65","0.006","90","","91.663","0.006","90","","1626","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-[4-(4-Methoxyphenyl)-1,3-butadienyl]-1-methylpyridinium Iodide","","- C17 H18 I N O -","- C17 H18 I N O -","- C68 H72 I4 N4 O4 -","4","1","","Arul, Anand; Ramaclus, Jerald Vijay","4-[4-(4-Methoxyphenyl)-1,3-butadienyl]-1-methylpyridinium 4-chlorobenzene sulphonate (MBMPCBS) – an efficient nonlinear optical crystal with superior thermal stability","CrystEngComm","2023","25","17","2534","2545","10.1039/D3CE00090G","","","0.71073","MoKα","","0.0417","0.0408","","","0.1191","0.1203","","","","","","1.176","","","","has coordinates","283200","2023-05-05","01:19:24",""
"7246434","7.285","0.0002","7.285","0.0002","19.7163","0.0005","90","","90","","90","","1046.37","0.05","301","2","301.61","","","","","","","","","4","P 42/n m c :2","-P 4ac 2a","137","","","","- Cl Ga Na2 S2 -","- Cl Ga Na2 S2 -","- Cl8 Ga8 Na16 S16 -","8","0.5","","Berseneva, Anna A.; Klepov, Vladislav V.; Tisdale, Hunter B.; zur Loye, Hans-Conrad","Flux-assisted polytypism in the [Na2Cl]GaQ2 heterolayered salt-inclusion chalcogenide family","CrystEngComm","2023","25","15","2307","2312","10.1039/D3CE00074E","","","0.71073","MoKα","","0.0207","0.019","","","0.0491","0.052","","","","","","1.132","","","","has coordinates","283213","2023-05-05","01:26:33",""
"7246435","21.819","0.0004","8.334","0.0002","6.8616","0.0001","90","","100.673","0.001","90","","1226.13","0.04","299","2","299.61","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Ga Na2 Se3 -","- Ga Na2 Se3 -","- Ga8 Na16 Se24 -","8","1","","Berseneva, Anna A.; Klepov, Vladislav V.; Tisdale, Hunter B.; zur Loye, Hans-Conrad","Flux-assisted polytypism in the [Na2Cl]GaQ2 heterolayered salt-inclusion chalcogenide family","CrystEngComm","2023","25","15","2307","2312","10.1039/D3CE00074E","","","0.71073","MoKα","","0.0215","0.0172","","","0.0358","0.0384","","","","","","1.079","","","","has coordinates","283213","2023-05-05","01:26:33",""
"7246436","8.3169","0.0003","6.416","0.0002","20.7332","0.0007","90","","91.1838","0.0013","90","","1106.11","0.06","298.93","","298.93","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Ga2 Na4 Se5 -","- Ga2 Na4 Se5 -","- Ga8 Na16 Se20 -","4","1","","Berseneva, Anna A.; Klepov, Vladislav V.; Tisdale, Hunter B.; zur Loye, Hans-Conrad","Flux-assisted polytypism in the [Na2Cl]GaQ2 heterolayered salt-inclusion chalcogenide family","CrystEngComm","2023","25","15","2307","2312","10.1039/D3CE00074E","","","0.71073","MoKα","","0.0171","0.014","","","0.0297","0.031","","","","","","1.102","","","","has coordinates","283213","2023-05-05","01:26:33",""
"7246437","7.5821","0.0002","7.5821","0.0002","20.4761","0.0005","90","","90","","90","","1177.13","0.05","299","2","299.08","","","","","","","","","5","P 42/n m c :2","-P 4ac 2a","137","","","","- Cl0.91 Ga I0.09 Na2 Se2 -","- Cl0.9075 Ga I0.0925 Na2 Se2 -","- Cl7.26 Ga8 I0.74 Na16 Se16 -","8","0.5","","Berseneva, Anna A.; Klepov, Vladislav V.; Tisdale, Hunter B.; zur Loye, Hans-Conrad","Flux-assisted polytypism in the [Na2Cl]GaQ2 heterolayered salt-inclusion chalcogenide family","CrystEngComm","2023","25","15","2307","2312","10.1039/D3CE00074E","","","0.71073","MoKα","","0.031","0.0166","","","0.0344","0.046","","","","","","1.171","","","","has coordinates","283213","2023-05-05","01:26:33",""
"7246438","7.2885","0.0002","39.4434","0.001","7.2884","0.0002","90","","90","","90","","2095.29","0.1","300","2","300","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cl Ga Na2 S2 -","- Cl Ga Na2 S2 -","- Cl16 Ga16 Na32 S32 -","16","1","","Berseneva, Anna A.; Klepov, Vladislav V.; Tisdale, Hunter B.; zur Loye, Hans-Conrad","Flux-assisted polytypism in the [Na2Cl]GaQ2 heterolayered salt-inclusion chalcogenide family","CrystEngComm","2023","25","15","2307","2312","10.1039/D3CE00074E","","","0.71073","MoKα","","0.0178","0.0134","","","0.0295","0.032","","","","","","1.078","","","","has coordinates","283213","2023-05-05","01:26:33",""
"7246439","7.597","0.002","41.001","0.011","7.583","0.002","90","","90","","90","","2362","1.1","300","2","299.85","","","","","","","","","5","C m c m","-C 2c 2","63","","","","- Cl0.91 Ga I0.09 Na2 Se2 -","- Cl0.9075 Ga I0.0925 Na2 Se2 -","- Cl14.52 Ga16 I1.48 Na32 Se32 -","16","1","","Berseneva, Anna A.; Klepov, Vladislav V.; Tisdale, Hunter B.; zur Loye, Hans-Conrad","Flux-assisted polytypism in the [Na2Cl]GaQ2 heterolayered salt-inclusion chalcogenide family","CrystEngComm","2023","25","15","2307","2312","10.1039/D3CE00074E","","","0.71073","MoKα","","0.0439","0.0402","","","0.1121","0.1173","","","","","","1.145","","","","has coordinates","283213","2023-05-05","01:26:33",""
"7246446","6.6846","0.0002","7.0498","0.0002","15.0256","0.0004","97.105","0.002","94.771","0.002","109.331","0.003","657.18","0.04","290","","290","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H9 N3 O4 Se -","- C13 H9 N3 O4 Se -","- C26 H18 N6 O8 Se2 -","2","1","","Lan, Honghong; Miao, Shaobin; Zhang, Yu; Wang, Weizhou","On the inverse correlation between the hydrogen bond strength and chalcogen bond strength in the cyclic supramolecular heterosynthon [–Se–N]⋯[HOOC–]","CrystEngComm","2023","25","14","2159","2164","10.1039/D3CE00100H","","x-ray","0.71073","MoKα","","0.0371","0.0308","","","0.0663","0.0684","","","","","","1.097","","","","has coordinates","282338","2023-04-04","10:18:00",""
"7246447","6.7936","0.0002","7.348","0.0003","14.7847","0.0005","76.886","0.003","76.865","0.003","69.4","0.004","663.98","0.04","290","","290","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H9 N3 O4 Se -","- C13 H9 N3 O4 Se -","- C26 H18 N6 O8 Se2 -","2","1","","Lan, Honghong; Miao, Shaobin; Zhang, Yu; Wang, Weizhou","On the inverse correlation between the hydrogen bond strength and chalcogen bond strength in the cyclic supramolecular heterosynthon [–Se–N]⋯[HOOC–]","CrystEngComm","2023","25","14","2159","2164","10.1039/D3CE00100H","","x-ray","0.71073","MoKα","","0.0537","0.0414","","","0.0932","0.098","","","","","","1.092","","","","has coordinates","282338","2023-04-04","10:18:00",""
"7246448","3.9284","0.0002","26.3154","0.0012","13.1324","0.0006","90","","91.977","0.004","90","","1356.79","0.11","291","","291","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H18 N6 O6 Se3 -","- C27 H18 N6 O6 Se3 -","- C54 H36 N12 O12 Se6 -","2","1","","Lan, Honghong; Miao, Shaobin; Zhang, Yu; Wang, Weizhou","On the inverse correlation between the hydrogen bond strength and chalcogen bond strength in the cyclic supramolecular heterosynthon [–Se–N]⋯[HOOC–]","CrystEngComm","2023","25","14","2159","2164","10.1039/D3CE00100H","","x-ray","0.71073","MoKα","","0.0936","0.066","","","0.102","0.1107","","","","","","1.059","","","","has coordinates","282338","2023-04-04","10:18:00",""
"7246449","11.5809","0.0004","11.2962","0.0005","15.112","0.0006","90","","104.191","0.001","90","","1916.63","0.13","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H10 Cd N6 O4 S2 -","- C18 H10 Cd N6 O4 S2 -","- C72 H40 Cd4 N24 O16 S8 -","4","1","","Yan, Xiao-Long; Cao, Xiao-Qin; Deng, Cheng-Rui; Zheng, Teng-Fei; Yao, Shu-Li; Liu, Sui-Jun","A highly stable and efficient benzothiadiazole-based fluorescence sensor for salicylaldehyde in aqueous solution","CrystEngComm","2023","25","16","2366","2371","10.1039/D3CE00130J","","","0.71073","MoKα","","0.0332","0.0259","","","0.059","0.0628","","","","","","1.09","","","","has coordinates","283205","2023-05-05","01:22:51",""
"7246450","10.825","0.005","18.151","0.008","9.211","0.004","90","","97.156","0.008","90","","1795.7","1.4","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C44 H44 N4 -","- C44 H44 N4 -","- C88 H88 N8 -","2","0.5","","Habata, Yoichi; Wada, Ayumi; Lee, Eunji; Ju, Huieyong; Yoshiba, Yuki; Horita, Hiroki; Ishii, Jun-ichi; Ikeda, Mari; Kuwahara, Shunsuke","A molecular sponge that exclusively adsorbs acetonitrile","CrystEngComm","2023","25","16","2349","2352","10.1039/D3CE00169E","","","0.71073","MoKα","","0.2119","0.0755","","","0.1391","0.1969","","","","","","1.008","","","","has coordinates","283202","2023-05-05","01:20:25",""
"7246451","14.404","0.007","14.404","0.007","9.018","0.008","90","","90","","90","","1871","2","120","2","120","2","","","","","","","","3","P 4 n c","P 4 -2n","104","","","","- C46 H47 N5 -","- C46 H47 N5 -","- C92 H94 N10 -","2","0.25","","Habata, Yoichi; Wada, Ayumi; Lee, Eunji; Ju, Huieyong; Yoshiba, Yuki; Horita, Hiroki; Ishii, Jun-ichi; Ikeda, Mari; Kuwahara, Shunsuke","A molecular sponge that exclusively adsorbs acetonitrile","CrystEngComm","2023","25","16","2349","2352","10.1039/D3CE00169E","","","0.71073","MoKα","","0.1918","0.0786","","","0.1657","0.234","","","","","","1.072","","","","has coordinates","283202","2023-05-05","01:20:25",""
"7246467","7.7196","0.0005","11.7045","0.0007","9.4241","0.0006","90","","108.98","0.002","90","","805.21","0.09","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","Salt 7 (293 K)","","- C17 H20 N2 O4 -","- C17 H20 N2 O4 -","- C34 H40 N4 O8 -","2","1","","Angevine, Devin J.; Mitchell, Travis; Zhang, Xiaotong; Benedict, Jason B.","Unusual single crystal to single crystal phase transition of a nicotine salt monitored using temperature dependent single crystal X-ray diffraction","CrystEngComm","2023","25","15","2181","2184","10.1039/D3CE00042G","","","0.71073","MoKα","","0.0569","0.0405","","","0.1007","0.1107","","","","","","1.045","","","","has coordinates","283216","2023-05-05","01:27:32",""
"7246468","9.9691","0.0004","11.552","0.0004","13.8196","0.0005","90","","101.995","0.001","90","","1556.76","0.1","90","","90","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H20 N2 O4 -","- C17 H20 N2 O4 -","- C68 H80 N8 O16 -","4","2","","Angevine, Devin J.; Mitchell, Travis; Zhang, Xiaotong; Benedict, Jason B.","Unusual single crystal to single crystal phase transition of a nicotine salt monitored using temperature dependent single crystal X-ray diffraction","CrystEngComm","2023","25","15","2181","2184","10.1039/D3CE00042G","","","0.71073","MoKα","","0.0379","0.0335","","","0.0844","0.0874","","","","","","1.033","","","","has coordinates","283216","2023-05-05","01:27:32",""
"7246477","6.6375","0.0011","8.1893","0.0014","8.426","0.0013","69.401","0.015","88.117","0.013","73.592","0.015","410.14","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H6 Cl4 Cu I2 N2 -","- C10 H6 Cl4 Cu I2 N2 -","- C10 H6 Cl4 Cu I2 N2 -","1","0.5","","Awwadi, Firas F.; Alwahsh, Manal I.; Turnbull, Mark M.; Landee, Christopher P.","Halogen bond and polymorphism in trans-bis(2-iodo-5-halopyridine)dihalocopper(ii) complexes: crystallographic, theoretical and magnetic studies","CrystEngComm","2023","25","16","2390","2403","10.1039/D2CE01711C","","","0.71073","MoKα","","0.0497","0.039","","","0.0844","0.091","","","","","","1.058","","","","has coordinates","283208","2023-05-05","01:24:01",""
"7246478","8.4631","0.0004","13.1568","0.0006","14.6722","0.0005","90","","91.403","0.004","90","","1633.22","0.12","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C10 H6 Br2 Cl2 Cu I2 N2 -","- C10 H6 Br2 Cl2 Cu I2 N2 -","- C40 H24 Br8 Cl8 Cu4 I8 N8 -","4","0.5","","Awwadi, Firas F.; Alwahsh, Manal I.; Turnbull, Mark M.; Landee, Christopher P.","Halogen bond and polymorphism in trans-bis(2-iodo-5-halopyridine)dihalocopper(ii) complexes: crystallographic, theoretical and magnetic studies","CrystEngComm","2023","25","16","2390","2403","10.1039/D2CE01711C","","","0.71073","MoKα","","0.0454","0.0324","","","0.0576","0.0639","","","","","","1.013","","","","has coordinates","283208","2023-05-05","01:24:03",""
"7246479","6.5889","0.0019","8.4455","0.001","14.91","0.007","90","","99.21","0.04","90","","819","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H6 Cl4 Cu I2 N2 -","- C10 H6 Cl4 Cu I2 N2 -","- C20 H12 Cl8 Cu2 I4 N4 -","2","0.5","","Awwadi, Firas F.; Alwahsh, Manal I.; Turnbull, Mark M.; Landee, Christopher P.","Halogen bond and polymorphism in trans-bis(2-iodo-5-halopyridine)dihalocopper(ii) complexes: crystallographic, theoretical and magnetic studies","CrystEngComm","2023","25","16","2390","2403","10.1039/D2CE01711C","","","0.71073","MoKα","","0.0489","0.0324","","","0.0557","0.0652","","","","","","1.035","","","","has coordinates","283208","2023-05-05","01:24:12",""
"7246480","6.5931","0.0003","8.549","0.0004","15.1333","0.0009","90","","98.729","0.005","90","","843.1","0.08","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C10 H6 Br2 Cl2 Cu I2 N2 -","- C10 H6 Br2 Cl2 Cu I2 N2 -","- C20 H12 Br4 Cl4 Cu2 I4 N4 -","2","0.5","","Awwadi, Firas F.; Alwahsh, Manal I.; Turnbull, Mark M.; Landee, Christopher P.","Halogen bond and polymorphism in trans-bis(2-iodo-5-halopyridine)dihalocopper(ii) complexes: crystallographic, theoretical and magnetic studies","CrystEngComm","2023","25","16","2390","2403","10.1039/D2CE01711C","","","0.71073","MoKα","","0.051","0.0356","","","0.0671","0.0745","","","","","","1.024","","","","has coordinates","283208","2023-05-05","01:24:17",""
"7246481","10.8035","0.0008","14.9629","0.0005","6.608","0.0005","90","","128.8","0.011","90","","832.48","0.16","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C10 H6 Br2 Cl2 Cu I2 N2 -","- C10 H6 Br2 Cl2 Cu I2 N2 -","- C20 H12 Br4 Cl4 Cu2 I4 N4 -","2","0.5","","Awwadi, Firas F.; Alwahsh, Manal I.; Turnbull, Mark M.; Landee, Christopher P.","Halogen bond and polymorphism in trans-bis(2-iodo-5-halopyridine)dihalocopper(ii) complexes: crystallographic, theoretical and magnetic studies","CrystEngComm","2023","25","16","2390","2403","10.1039/D2CE01711C","","x-ray","0.71073","MoKα","","0.0559","0.0384","","","0.0721","0.0821","","","","","","1.046","","","","has coordinates","283208","2023-05-05","01:24:19",""
"7246482","7.6844","0.0015","8.4799","0.0012","9.8498","0.0014","67.682","0.014","82.043","0.014","87.656","0.014","588","0.18","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H13 O8 Zn -","- C10 H13 O8 Zn -","- C20 H26 O16 Zn2 -","2","1","","Zou, Huiqi; Li, Rongyun; Ding, Li; Lu, Jing; Tian, Haiquan; Yan, Hui; Liu, Houting; Wang, Suna; Li, Yunwu","Three isostructural MOFs based on different metal cations: proton conductivities and SC–SC transformation leading to magnetic changes","CrystEngComm","2023","25","18","2755","2766","10.1039/D3CE00046J","","","1.54184","CuKα","","0.1095","0.0693","","","0.1633","0.1912","","","","","","1.04","","","","has coordinates","284263","2023-06-05","04:24:30",""
"7246483","8.1304","0.0007","8.2667","0.001","10.0751","0.0007","80.531","0.008","70.026","0.007","83.552","0.008","626.61","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H13 Mn N0 O8 -","- C10 H13 Mn O8 -","- C20 H26 Mn2 O16 -","2","1","","Zou, Huiqi; Li, Rongyun; Ding, Li; Lu, Jing; Tian, Haiquan; Yan, Hui; Liu, Houting; Wang, Suna; Li, Yunwu","Three isostructural MOFs based on different metal cations: proton conductivities and SC–SC transformation leading to magnetic changes","CrystEngComm","2023","25","18","2755","2766","10.1039/D3CE00046J","","","1.54184","CuKα","","0.0892","0.0807","","","0.2211","0.2389","","","","","","1.089","","","","has coordinates","284263","2023-06-05","04:24:31",""
"7246484","7.8186","0.0019","8.4237","0.0014","9.8767","0.0017","68.312","0.016","81.997","0.018","87.309","0.016","598.6","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H13 Co O8 -","- C10 H13 Co O8 -","- C20 H26 Co2 O16 -","2","1","","Zou, Huiqi; Li, Rongyun; Ding, Li; Lu, Jing; Tian, Haiquan; Yan, Hui; Liu, Houting; Wang, Suna; Li, Yunwu","Three isostructural MOFs based on different metal cations: proton conductivities and SC–SC transformation leading to magnetic changes","CrystEngComm","2023","25","18","2755","2766","10.1039/D3CE00046J","","","1.54184","CuKα","","0.11","0.0696","","","0.169","0.1955","","","","","","0.962","","","","has coordinates","284263","2023-06-05","04:24:31",""
"7246485","7.6366","0.0015","8.604","0.0013","10.0667","0.0016","113.496","0.015","90.956","0.015","90.157","0.014","606.48","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C11.5 H14 Co O7 -","- C11.52 H13.5 Co O7 -","- C23.04 H27 Co2 O14 -","2","1","","Zou, Huiqi; Li, Rongyun; Ding, Li; Lu, Jing; Tian, Haiquan; Yan, Hui; Liu, Houting; Wang, Suna; Li, Yunwu","Three isostructural MOFs based on different metal cations: proton conductivities and SC–SC transformation leading to magnetic changes","CrystEngComm","2023","25","18","2755","2766","10.1039/D3CE00046J","","","1.54184","CuKα","","0.1165","0.0661","","","0.1605","0.2003","","","","","","0.909","","","","has coordinates","284263","2023-06-05","04:24:31",""
"7246486","11.62224","0.00009","14.66776","0.00011","21.05256","0.00016","100.659","0.0006","91.6602","0.0006","109.986","0.0007","3297.98","0.05","223","","223","","","","","","","","","5","P -1","-P 1","2","","4-(4-methoxyphenyl)-7-[1-(4-methoxyphenyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzo[c][1,2,5]thiadiazole","","- C42 H32 N4 O2 S -","- C42 H32 N4 O2 S -","- C168 H128 N16 O8 S4 -","4","2","","Yagi, Takumi; Tachikawa, Takashi; Ito, Suguru","Solvates of a dianisyl-substituted donor–acceptor-type benzothiadiazole: mechanochromic, vapochromic, and acid-responsive multicolor luminescence","CrystEngComm","2023","25","16","2379","2389","10.1039/D2CE01705A","","","1.54184","CuKα","","0.0533","0.0491","","","0.1362","0.14","","","","","","1.065","","","","has coordinates","283206","2023-05-05","01:23:15",""
"7246487","27.8666","0.0004","10.4156","0.0001","23.2099","0.0004","90","","108.11","0.002","90","","6402.89","0.17","223.15","","223.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-(4-methoxyphenyl)-7-[1-(4-methoxyphenyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzo[c][1,2,5]thiadiazole","","- C41 H30 N4 O2 S -","- C41 H30 N4 O2 S -","- C328 H240 N32 O16 S8 -","8","1","","Yagi, Takumi; Tachikawa, Takashi; Ito, Suguru","Solvates of a dianisyl-substituted donor–acceptor-type benzothiadiazole: mechanochromic, vapochromic, and acid-responsive multicolor luminescence","CrystEngComm","2023","25","16","2379","2389","10.1039/D2CE01705A","","","1.54184","CuKα","","0.057","0.0533","","","0.1488","0.1521","","","","","","1.071","","","","has coordinates,has disorder","283206","2023-05-05","01:23:18",""
"7246488","13.6322","0.0002","22.3975","0.0003","10.7806","0.00019","90","","111.601","0.002","90","","3060.44","0.09","223","","223","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-(4-methoxyphenyl)-7-[1-(4-methoxyphenyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzo[c][1,2,5]thiadiazole","","- C36 H25 Cl3 N4 O2 S -","- C36 H25 Cl3 N4 O2 S -","- C144 H100 Cl12 N16 O8 S4 -","4","1","","Yagi, Takumi; Tachikawa, Takashi; Ito, Suguru","Solvates of a dianisyl-substituted donor–acceptor-type benzothiadiazole: mechanochromic, vapochromic, and acid-responsive multicolor luminescence","CrystEngComm","2023","25","16","2379","2389","10.1039/D2CE01705A","","","1.54184","CuKα","","0.047","0.0436","","","0.1219","0.1252","","","","","","1.066","","","","has coordinates","283206","2023-05-05","01:23:20",""
"7246489","13.2848","0.0002","21.9654","0.0003","10.92692","0.00017","90","","111.87","0.0018","90","","2959.06","0.08","223","","223","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(4-methoxyphenyl)-7-[1-(4-methoxyphenyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzo[c][1,2,5]thiadiazole","","- C35 H24 N4 O2 S -","- C35 H24 N4 O2 S -","- C140 H96 N16 O8 S4 -","4","1","","Yagi, Takumi; Tachikawa, Takashi; Ito, Suguru","Solvates of a dianisyl-substituted donor–acceptor-type benzothiadiazole: mechanochromic, vapochromic, and acid-responsive multicolor luminescence","CrystEngComm","2023","25","16","2379","2389","10.1039/D2CE01705A","","","1.54184","CuKα","","0.0458","0.0425","","","0.1081","0.1106","","","","","","1.057","","","","has coordinates","283206","2023-05-05","01:23:29",""
"7246490","27.6505","0.0002","10.34767","0.00008","23.2526","0.0002","90","","108.491","0.001","90","","6309.54","0.09","223","","223","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-(4-methoxyphenyl)-7-[1-(4-methoxyphenyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzo[c][1,2,5]thiadiazole","","- C40 H29 N5 O2 S -","- C40 H29 N5 O2 S -","- C320 H232 N40 O16 S8 -","8","1","","Yagi, Takumi; Tachikawa, Takashi; Ito, Suguru","Solvates of a dianisyl-substituted donor–acceptor-type benzothiadiazole: mechanochromic, vapochromic, and acid-responsive multicolor luminescence","CrystEngComm","2023","25","16","2379","2389","10.1039/D2CE01705A","","","1.54184","CuKα","","0.0449","0.0425","","","0.1126","0.1145","","","","","","1.052","","","","has coordinates","283206","2023-05-05","01:23:30",""
"7246491","12.20306","0.00009","21.16656","0.00017","22.98109","0.00018","69.0121","0.0007","87.5755","0.0006","87.6112","0.0006","5534.93","0.08","223","","223","","","","","","","","","5","P -1","-P 1","2","","4-(4-methoxyphenyl)-7-[1-(4-methoxyphenyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzo[c][1,2,5]thiadiazole","","- C35 H24 N4 O2 S -","- C35 H24 N4 O2 S -","- C280 H192 N32 O16 S8 -","8","4","","Yagi, Takumi; Tachikawa, Takashi; Ito, Suguru","Solvates of a dianisyl-substituted donor–acceptor-type benzothiadiazole: mechanochromic, vapochromic, and acid-responsive multicolor luminescence","CrystEngComm","2023","25","16","2379","2389","10.1039/D2CE01705A","","","1.54184","CuKα","","0.067","0.0608","","","0.1731","0.1783","","","","","","1.037","","","","has coordinates","283206","2023-05-05","01:23:30",""
"7246492","21.9765","0.0004","21.9765","0.0004","114.166","0.002","90","","90","","120","","47751.2","1.5","213","","213","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","DPPMA/MTBPS","","- C162 H165 N25 O18 S4 -","- C117 H95.9997 N16 O12 S4 -","- C1404 H1152 N192 O144 S48 -","12","0.333333","","Ami, Takahiro; Oka, Kouki; Tsuchiya, Keiho; Kosaka, Wataru; Miyasaka, Hitoshi; Tohnai, Norimitsu","The introduction of a base component to porous organic salts and their CO2 storage capability","CrystEngComm","2023","25","15","2321","2325","10.1039/D3CE00086A","","","1.54184","CuKα","","0.1275","0.1015","","","0.3298","0.3624","","","","","","1.251","","","","has coordinates,has disorder","283217","2023-05-05","01:27:53",""
"7246500","8.1014","0.0011","11.2699","0.0015","15.485","0.002","90.087","0.005","99.656","0.005","101.285","0.005","1366","0.3","150","2","150.53","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H33 Cl F N4 O6 -","- C28 H32 Cl F N4 O6 -","- C56 H64 Cl2 F2 N8 O12 -","2","1","","Shaik, Althaf; Bhagwat, Pranav Umesh; Palanisamy, Parimaladevi; Chhabria, Dimple; Dubey, Pankaj; Kirubakaran, Sivapriya; Thiruvenkatam, Vijay","Novel pharmaceutical co-crystals of gefitinib: synthesis, dissolution, cytotoxicity, and theoretical studies","CrystEngComm","2023","25","17","2570","2581","10.1039/D3CE00056G","","","0.71073","MoKα","","0.0647","0.0439","","","0.0973","0.1069","","","","","","1.03","","","","has coordinates","283198","2023-05-05","01:18:59",""
"7246501","10.93","0.002","7.2541","0.0014","35.222","0.006","90","","93.749","0.007","90","","2786.7","0.9","150","2","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H66 Cl2 F2 N8 O12 -","- C56 H66 Cl2 F2 N8 O12 -","- C112 H132 Cl4 F4 N16 O24 -","2","0.5","","Shaik, Althaf; Bhagwat, Pranav Umesh; Palanisamy, Parimaladevi; Chhabria, Dimple; Dubey, Pankaj; Kirubakaran, Sivapriya; Thiruvenkatam, Vijay","Novel pharmaceutical co-crystals of gefitinib: synthesis, dissolution, cytotoxicity, and theoretical studies","CrystEngComm","2023","25","17","2570","2581","10.1039/D3CE00056G","","","0.71073","MoKα","","0.1306","0.0716","","","0.1863","0.2222","","","","","","1.069","","","","has coordinates","283198","2023-05-05","01:18:59",""
"7246502","12.1642","0.0018","7.4425","0.0011","31.958","0.005","90","","95.245","0.006","90","","2881.1","0.8","150","2","149.97","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H32 Cl F N4 O5 -","- C31 H32 Cl F N4 O5 -","- C124 H128 Cl4 F4 N16 O20 -","4","1","","Shaik, Althaf; Bhagwat, Pranav Umesh; Palanisamy, Parimaladevi; Chhabria, Dimple; Dubey, Pankaj; Kirubakaran, Sivapriya; Thiruvenkatam, Vijay","Novel pharmaceutical co-crystals of gefitinib: synthesis, dissolution, cytotoxicity, and theoretical studies","CrystEngComm","2023","25","17","2570","2581","10.1039/D3CE00056G","","","0.71073","MoKα","","0.0615","0.0438","","","0.135","0.1509","","","","","","1.024","","","","has coordinates","283198","2023-05-05","01:18:59",""
"7246504","6.5339","0.0003","7.1569","0.0003","37.6943","0.0015","90","","90","","90","","1762.68","0.13","100","2","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H19 F N2 O -","- C22 H19 F N2 O -","- C88 H76 F4 N8 O4 -","4","1","","Bhoday, Harmeet; Kelley, Steven P.; Glaser, Rainer","Polar and non-polar stacking of perfectly aligned parallel beloamphiphile monolayers (PBAMs) of (PhO, F)-azine. The interplay of non-covalent interlayer interactions and unit cell polarity","CrystEngComm","2023","25","15","2175","2180","10.1039/D3CE00021D","","","0.71073","MoKα","","0.0547","0.0428","","","0.1051","0.1168","","","","","","1.083","","","","has coordinates","283212","2023-05-05","01:26:01",""
"7246505","6.5274","0.0003","7.2009","0.0003","37.7553","0.0016","90","","90","","90","","1774.62","0.13","150","2","150","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H19 F N2 O -","- C22 H19 F N2 O -","- C88 H76 F4 N8 O4 -","4","1","","Bhoday, Harmeet; Kelley, Steven P.; Glaser, Rainer","Polar and non-polar stacking of perfectly aligned parallel beloamphiphile monolayers (PBAMs) of (PhO, F)-azine. The interplay of non-covalent interlayer interactions and unit cell polarity","CrystEngComm","2023","25","15","2175","2180","10.1039/D3CE00021D","","","1.54178","CuKα","","0.0281","0.0278","","","0.078","0.0783","","","","","","1.064","","","","has coordinates","283212","2023-05-05","01:26:03",""
"7246506","6.5322","0.0015","7.3486","0.0017","37.987","0.009","91.159","0.003","93.956","0.003","90.147","0.004","1818.7","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H19 F N2 O -","- C22 H19 F N2 O -","- C88 H76 F4 N8 O4 -","4","2","","Bhoday, Harmeet; Kelley, Steven P.; Glaser, Rainer","Polar and non-polar stacking of perfectly aligned parallel beloamphiphile monolayers (PBAMs) of (PhO, F)-azine. The interplay of non-covalent interlayer interactions and unit cell polarity","CrystEngComm","2023","25","15","2175","2180","10.1039/D3CE00021D","","","0.71073","MoKα","","0.1554","0.0699","","","0.1589","0.1995","","","","","","0.92","","","","has coordinates","283212","2023-05-05","01:26:07",""
"7246507","6.541","0.0002","7.1465","0.0002","37.8014","0.001","91.082","0.0012","94.097","0.0012","90.1522","0.0013","1762.19","0.09","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H19 F N2 O -","- C22 H19 F N2 O -","- C88 H76 F4 N8 O4 -","4","2","","Bhoday, Harmeet; Kelley, Steven P.; Glaser, Rainer","Polar and non-polar stacking of perfectly aligned parallel beloamphiphile monolayers (PBAMs) of (PhO, F)-azine. The interplay of non-covalent interlayer interactions and unit cell polarity","CrystEngComm","2023","25","15","2175","2180","10.1039/D3CE00021D","","","1.54178","CuKα","","0.0651","0.0579","","","0.1607","0.1644","","","","","","1.197","","","","has coordinates","283212","2023-05-05","01:26:11",""
"7246508","7.8959","0.0007","9.112","0.0007","13.1382","0.0011","93.469","0.005","94.076","0.004","101.046","0.004","922.74","0.13","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H23 N2 Ni0.5 O7 -","- C18 H23 N2 Ni0.5 O7 -","- C36 H46 N4 Ni O14 -","2","1","","Carballo, Rosa; Lago, Ana Belén; Vázquez-Toirán, María; Estévez, Laura; Vázquez-López, Ezequiel M.","Square-planar and octahedral nickel complexes of an acylhydrazone ligand and the serendipitous isolation of a potential octahedral nickel acylhydrazone precursor","CrystEngComm","2023","25","16","2463","2472","10.1039/D3CE00160A","","","0.71073","MoKα","","0.0746","0.0571","","","0.1387","0.1465","","","","","","1.074","","","","has coordinates,has disorder","283207","2023-05-05","01:23:46",""
"7246509","34.338","0.002","34.338","0.002","12.6009","0.0011","90","","90","","120","","12867.1","1.5","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C26 H21.06 N4 Ni0.5 O3 -","- C26 H21 N4 Ni0.5 O3 -","- C468 H378 N72 Ni9 O54 -","18","1","","Carballo, Rosa; Lago, Ana Belén; Vázquez-Toirán, María; Estévez, Laura; Vázquez-López, Ezequiel M.","Square-planar and octahedral nickel complexes of an acylhydrazone ligand and the serendipitous isolation of a potential octahedral nickel acylhydrazone precursor","CrystEngComm","2023","25","16","2463","2472","10.1039/D3CE00160A","","","1.54184","CuKα","","0.0945","0.067","","","0.1924","0.2197","","","","","","1.056","","","","has coordinates,has disorder","283207","2023-05-05","01:23:47",""
"7246510","10.804","0.001","18.8611","0.0014","16.7162","0.0014","90","","99.623","0.003","90","","3358.4","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H40 N4 Ni O9 -","- C34 H40 N4 Ni O9 -","- C136 H160 N16 Ni4 O36 -","4","1","","Carballo, Rosa; Lago, Ana Belén; Vázquez-Toirán, María; Estévez, Laura; Vázquez-López, Ezequiel M.","Square-planar and octahedral nickel complexes of an acylhydrazone ligand and the serendipitous isolation of a potential octahedral nickel acylhydrazone precursor","CrystEngComm","2023","25","16","2463","2472","10.1039/D3CE00160A","","","0.71073","MoKα","","0.0653","0.0524","","","0.1117","0.117","","","","","","1.069","","","","has coordinates","283207","2023-05-05","01:23:47",""
"7246511","20.668","0.0018","5.9629","0.0005","23.892","0.002","90","","103.289","0.003","90","","2865.6","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H26 N4 Ni O8 -","- C28 H23.9998 N4 Ni O8 -","- C112 H95.9992 N16 Ni4 O32 -","4","0.5","","Carballo, Rosa; Lago, Ana Belén; Vázquez-Toirán, María; Estévez, Laura; Vázquez-López, Ezequiel M.","Square-planar and octahedral nickel complexes of an acylhydrazone ligand and the serendipitous isolation of a potential octahedral nickel acylhydrazone precursor","CrystEngComm","2023","25","16","2463","2472","10.1039/D3CE00160A","","","0.71073","MoKα","","0.0735","0.0556","","","0.1314","0.1414","","","","","","1.039","","","","has coordinates,has disorder","283207","2023-05-05","01:23:47",""
"7246512","9.6562","0.0001","11.6905","0.0001","35.064","0.0004","91.265","0.001","93.965","0.001","93.603","0.001","3939.56","0.07","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C79 H85 N5 O25 Sm2 -","- C79 H85 N5 O25 Sm2 -","- C158 H170 N10 O50 Sm4 -","2","1","","Hunter, Lucy R.; Karlsson, Joshua K. G.; Sellars, Jonathan D.; Probert, Michael R.","(Z)-4,4′-Stilbene dicarboxylic acid, the overlooked metal–organic framework linker","CrystEngComm","2023","25","16","2353","2358","10.1039/D3CE00138E","","x-ray","0.71073","MoKα","","0.0282","0.0229","","","0.0503","0.0524","","","","","","1.037","","","","has coordinates,has disorder","283204","2023-05-05","01:22:41",""
"7246513","9.6431","0.0001","11.6693","0.0001","34.9873","0.0004","91.212","0.001","93.949","0.001","93.586","0.001","3918.74","0.07","149.99","0.1","149.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C79 H85 Eu2 N5 O25 -","- C79 H85 Eu2 N5 O25 -","- C158 H170 Eu4 N10 O50 -","2","1","","Hunter, Lucy R.; Karlsson, Joshua K. G.; Sellars, Jonathan D.; Probert, Michael R.","(Z)-4,4′-Stilbene dicarboxylic acid, the overlooked metal–organic framework linker","CrystEngComm","2023","25","16","2353","2358","10.1039/D3CE00138E","","x-ray","0.71073","MoKα","","0.0479","0.032","","","0.0666","0.0717","","","","","","1.03","","","","has coordinates,has disorder","283204","2023-05-05","01:22:41",""
"7246514","9.6431","0.0007","11.6865","0.0009","34.943","0.003","90.941","0.003","94.27","0.003","93.617","0.004","3918.2","0.5","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C76 H78 Gd2 N4 O24 -","- C76 H78 Gd2 N4 O24 -","- C152 H156 Gd4 N8 O48 -","2","1","","Hunter, Lucy R.; Karlsson, Joshua K. G.; Sellars, Jonathan D.; Probert, Michael R.","(Z)-4,4′-Stilbene dicarboxylic acid, the overlooked metal–organic framework linker","CrystEngComm","2023","25","16","2353","2358","10.1039/D3CE00138E","","","1.54178","CuKα","","0.058","0.0509","","","0.1354","0.1412","","","","","","1.084","","","","has coordinates","283204","2023-05-05","01:22:41",""
"7246515","9.6298","0.0001","11.6484","0.0001","35.049","0.0004","91.288","0.001","94.152","0.001","93.793","0.001","3911.13","0.07","149.99","0.1","149.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C79 H85 N5 O25 Tb2 -","- C79 H85 N5 O25 Tb2 -","- C158 H170 N10 O50 Tb4 -","2","1","","Hunter, Lucy R.; Karlsson, Joshua K. G.; Sellars, Jonathan D.; Probert, Michael R.","(Z)-4,4′-Stilbene dicarboxylic acid, the overlooked metal–organic framework linker","CrystEngComm","2023","25","16","2353","2358","10.1039/D3CE00138E","","x-ray","0.71073","MoKα","","0.0383","0.0281","","","0.0607","0.0642","","","","","","1.04","","","","has coordinates","283204","2023-05-05","01:22:41",""
"7246516","9.7244","0.0006","13.8269","0.0008","22.6816","0.0014","83.161","0.004","79.17","0.004","84.514","0.004","2965.7","0.3","150","","150.01","","","","","","","","","5","P -1","-P 1","2","","","","- C54 H50 Gd2 N2 O17 -","- C54 H50 Gd2 N2 O17 -","- C108 H100 Gd4 N4 O34 -","2","1","","Hunter, Lucy R.; Karlsson, Joshua K. G.; Sellars, Jonathan D.; Probert, Michael R.","(Z)-4,4′-Stilbene dicarboxylic acid, the overlooked metal–organic framework linker","CrystEngComm","2023","25","16","2353","2358","10.1039/D3CE00138E","","","1.54178","CuKα","","0.0699","0.0554","","","0.1464","0.1564","","","","","","1.045","","","","has coordinates","283204","2023-05-05","01:22:41",""
"7246517","9.8235","0.0006","13.8714","0.0009","22.4913","0.0015","83.593","0.003","78.224","0.003","84.961","0.004","2974.9","0.3","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H64 Ho2 N4 O19 -","- C60 H64 Ho2 N4 O19 -","- C120 H128 Ho4 N8 O38 -","2","1","","Hunter, Lucy R.; Karlsson, Joshua K. G.; Sellars, Jonathan D.; Probert, Michael R.","(Z)-4,4′-Stilbene dicarboxylic acid, the overlooked metal–organic framework linker","CrystEngComm","2023","25","16","2353","2358","10.1039/D3CE00138E","","","1.54178","CuKα","","0.0657","0.0552","","","0.1269","0.1344","","","","","","1.049","","","","has coordinates","283204","2023-05-05","01:22:41",""
"7246518","9.6965","0.0006","13.7603","0.0009","22.5832","0.0014","83.287","0.002","78.791","0.002","84.572","0.002","2927.5","0.3","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C54 H50 Er2 N2 O17 -","- C54 H50 Er2 N2 O17 -","- C108 H100 Er4 N4 O34 -","2","1","","Hunter, Lucy R.; Karlsson, Joshua K. G.; Sellars, Jonathan D.; Probert, Michael R.","(Z)-4,4′-Stilbene dicarboxylic acid, the overlooked metal–organic framework linker","CrystEngComm","2023","25","16","2353","2358","10.1039/D3CE00138E","","","1.54178","CuKα","","0.0445","0.0414","","","0.1098","0.1132","","","","","","1.084","","","","has coordinates","283204","2023-05-05","01:22:41",""
"7246519","9.6157","0.0009","11.653","0.0011","34.944","0.003","91.143","0.003","94.27","0.003","93.785","0.004","3894.9","0.6","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C79 H85 Ho2 N5 O25 -","- C79 H85 Ho2 N5 O25 -","- C158 H170 Ho4 N10 O50 -","2","1","","Hunter, Lucy R.; Karlsson, Joshua K. G.; Sellars, Jonathan D.; Probert, Michael R.","(Z)-4,4′-Stilbene dicarboxylic acid, the overlooked metal–organic framework linker","CrystEngComm","2023","25","16","2353","2358","10.1039/D3CE00138E","","","1.54178","CuKα","","0.043","0.0391","","","0.0991","0.102","","","","","","1.044","","","","has coordinates","283204","2023-05-05","01:22:41",""
"7246520","9.8353","0.001","13.8578","0.0013","22.505","0.002","83.589","0.004","78.689","0.004","84.942","0.004","2982","0.5","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H64 N4 O19 Tb2 -","- C60 H64 N4 O19 Tb2 -","- C120 H128 N8 O38 Tb4 -","2","1","","Hunter, Lucy R.; Karlsson, Joshua K. G.; Sellars, Jonathan D.; Probert, Michael R.","(Z)-4,4′-Stilbene dicarboxylic acid, the overlooked metal–organic framework linker","CrystEngComm","2023","25","16","2353","2358","10.1039/D3CE00138E","","","1.54178","CuKα","","0.0758","0.0698","","","0.2064","0.2158","","","","","","1.222","","","","has coordinates","283204","2023-05-05","01:22:41",""
"7246521","9.8652","0.0007","13.8653","0.001","22.5242","0.0016","83.601","0.004","78.971","0.004","85.08","0.004","2998.6","0.4","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H64 Eu2 N4 O19 -","- C60 H64 Eu2 N4 O19 -","- C120 H128 Eu4 N8 O38 -","2","1","","Hunter, Lucy R.; Karlsson, Joshua K. G.; Sellars, Jonathan D.; Probert, Michael R.","(Z)-4,4′-Stilbene dicarboxylic acid, the overlooked metal–organic framework linker","CrystEngComm","2023","25","16","2353","2358","10.1039/D3CE00138E","","","1.54178","CuKα","","0.0658","0.0565","","","0.1396","0.1449","","","","","","1.108","","","","has coordinates","283204","2023-05-05","01:22:41",""
"7246522","4.881","0.0002","36.8398","0.0013","8.6324","0.0003","90","","104.518","0.004","90","","1502.67","0.1","113.15","","113.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H11 F6 N O2 -","- C16 H11 F6 N O2 -","- C64 H44 F24 N4 O8 -","4","1","","Zhao, Hongtu; Zhang, Xiunan; Chen, Kui; Wu, Wenbo; Li, Shuyu; Wang, Ting; Huang, Xin; Wang, Na; Zhou, Lina; Hao, Hongxun","Mechanistic study on the structure–property relationship of flexible organic crystals","CrystEngComm","2023","25","17","2600","2606","10.1039/D3CE00108C","","x-ray","0.71073","MoKα","","0.0768","0.0605","","","0.1584","0.1772","","","","","","1.073","","","","has coordinates","283201","2023-05-05","01:19:38",""
"7246523","6.2342","0.0008","14.8463","0.0018","18.019","0.002","90","","90","","90","","1667.7","0.3","294.15","","294.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 F6 N2 O -","- C17 H14 F6 N2 O -","- C68 H56 F24 N8 O4 -","4","1","","Zhao, Hongtu; Zhang, Xiunan; Chen, Kui; Wu, Wenbo; Li, Shuyu; Wang, Ting; Huang, Xin; Wang, Na; Zhou, Lina; Hao, Hongxun","Mechanistic study on the structure–property relationship of flexible organic crystals","CrystEngComm","2023","25","17","2600","2606","10.1039/D3CE00108C","","x-ray","0.71073","MoKα","","0.1338","0.0742","","","0.1735","0.2074","","","","","","1.041","","","","has coordinates,has disorder","283201","2023-05-05","01:19:49",""
"7246524","4.9857","0.0008","10.6861","0.0012","16.2064","0.0017","78.81","0.009","83.66","0.011","88.872","0.011","841.84","0.19","294.15","","294.15","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H14 F6 N2 O -","- C17 H14 F6 N2 O -","- C34 H28 F12 N4 O2 -","2","1","","Zhao, Hongtu; Zhang, Xiunan; Chen, Kui; Wu, Wenbo; Li, Shuyu; Wang, Ting; Huang, Xin; Wang, Na; Zhou, Lina; Hao, Hongxun","Mechanistic study on the structure–property relationship of flexible organic crystals","CrystEngComm","2023","25","17","2600","2606","10.1039/D3CE00108C","","x-ray","0.71073","MoKα","","0.1663","0.0764","","","0.1901","0.2494","","","","","","1.025","","","","has coordinates,has disorder","283201","2023-05-05","01:20:02",""
"7246525","7.4706","0.0006","30.0542","0.0015","7.4459","0.0007","90","","117.037","0.012","90","","1489.1","0.3","113.15","","113.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 F6 N O2 -","- C16 H11 F6 N O2 -","- C64 H44 F24 N4 O8 -","4","1","","Zhao, Hongtu; Zhang, Xiunan; Chen, Kui; Wu, Wenbo; Li, Shuyu; Wang, Ting; Huang, Xin; Wang, Na; Zhou, Lina; Hao, Hongxun","Mechanistic study on the structure–property relationship of flexible organic crystals","CrystEngComm","2023","25","17","2600","2606","10.1039/D3CE00108C","","x-ray","0.71073","MoKα","","0.0784","0.0542","","","0.1297","0.1492","","","","","","1.048","","","","has coordinates","283201","2023-05-05","01:20:13",""
"7246529","17.0057","0.0019","47.058","0.004","35.948","0.004","90","","96.993","0.004","90","","28554","5","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C19 H21 N3 O3 S -","- C19 H21 N3 O3 S -","- C1216 H1344 N192 O192 S64 -","64","16","","Ahmad, Ishtiyaq; Ganie, Arshid A.; Ahmad, Shamim; Ahangar, Aadil A.; Reddy, C. Malla; Dar, Aijaz A.","A high Z′ structure of an organic salt with unusually high phase stability, nanoindentation, and mechano and vapo-fluorochromism","CrystEngComm","2023","25","21","3164","3170","10.1039/D2CE01693A","","","0.71073","MoKα","","0.0622","0.0439","","","0.1079","0.1163","","","","","","1.046","","","","has coordinates","284273","2023-06-05","04:28:23",""
"7246530","5.9862","0.0001","26.6117","0.0003","11.3914","0.0002","90","","101.668","0.001","90","","1777.18","0.05","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C19 H20 Eu2 N2 O16 -","- C19 H20 Eu2 N2 O16 -","- C38 H40 Eu4 N4 O32 -","2","0.5","","ul Nisa, Zaib; Ashashi, Nargis Akhter; Singhaal, Richa; Ahmad, Musheer; Gomila, Rosa M.; Frontera, Antonio; Sheikh, Haq Nawaz","Selective and efficient detection of Pb2+ in aqueous solution by lanthanoid-organic frameworks bearing pyridine-3,4-dicarboxylic acid and glutaric acid","CrystEngComm","2023","25","16","2418","2440","10.1039/D3CE00099K","","","0.71073","MoKα","","0.0542","0.0525","","","0.1587","0.1596","","","","","","1.235","","","","has coordinates","283203","2023-05-05","01:20:43",""
"7246531","6.0396","0.0001","26.7827","0.0003","11.483","0.0002","90","","101.974","0.001","90","","1817.04","0.05","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C23 H26 N4 O16 Pr2 -","- C23 H26 N4 O16 Pr2 -","- C46 H52 N8 O32 Pr4 -","2","0.5","","ul Nisa, Zaib; Ashashi, Nargis Akhter; Singhaal, Richa; Ahmad, Musheer; Gomila, Rosa M.; Frontera, Antonio; Sheikh, Haq Nawaz","Selective and efficient detection of Pb2+ in aqueous solution by lanthanoid-organic frameworks bearing pyridine-3,4-dicarboxylic acid and glutaric acid","CrystEngComm","2023","25","16","2418","2440","10.1039/D3CE00099K","","","0.71073","MoKα","","0.0502","0.0487","","","0.1411","0.142","","","","","","1.216","","","","has coordinates","283203","2023-05-05","01:20:45",""
"7246532","6.0356","0.0001","26.7275","0.0004","11.4561","0.0002","90","","101.874","0.002","90","","1808.51","0.05","298","2","298","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C19 H20 N2 Nd2 O16 -","- C19 H20 N2 Nd2 O16 -","- C38 H40 N4 Nd4 O32 -","2","0.5","","ul Nisa, Zaib; Ashashi, Nargis Akhter; Singhaal, Richa; Ahmad, Musheer; Gomila, Rosa M.; Frontera, Antonio; Sheikh, Haq Nawaz","Selective and efficient detection of Pb2+ in aqueous solution by lanthanoid-organic frameworks bearing pyridine-3,4-dicarboxylic acid and glutaric acid","CrystEngComm","2023","25","16","2418","2440","10.1039/D3CE00099K","","","0.71073","MoKα","","0.062","0.061","","","0.167","0.1674","","","","","","1.376","","","","has coordinates","283203","2023-05-05","01:20:55",""
"7246533","5.9578","0.0001","26.4881","0.0005","11.3463","0.0002","90","","101.548","0.002","90","","1754.32","0.06","298","2","298","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C19 H20 N2 O16 Tb2 -","- C19 H20 N2 O16 Tb2 -","- C38 H40 N4 O32 Tb4 -","2","0.5","","ul Nisa, Zaib; Ashashi, Nargis Akhter; Singhaal, Richa; Ahmad, Musheer; Gomila, Rosa M.; Frontera, Antonio; Sheikh, Haq Nawaz","Selective and efficient detection of Pb2+ in aqueous solution by lanthanoid-organic frameworks bearing pyridine-3,4-dicarboxylic acid and glutaric acid","CrystEngComm","2023","25","16","2418","2440","10.1039/D3CE00099K","","","0.71073","MoKα","","0.0817","0.0776","","","0.1947","0.1966","","","","","","1.274","","","","has coordinates","283203","2023-05-05","01:20:59",""
"7246534","6.00619","0.00014","26.6761","0.0007","11.4263","0.0003","90","","101.705","0.003","90","","1792.67","0.08","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C19 H20 N2 O16 Sm2 -","- C19 H20 N2 O16 Sm2 -","- C38 H40 N4 O32 Sm4 -","2","0.5","","ul Nisa, Zaib; Ashashi, Nargis Akhter; Singhaal, Richa; Ahmad, Musheer; Gomila, Rosa M.; Frontera, Antonio; Sheikh, Haq Nawaz","Selective and efficient detection of Pb2+ in aqueous solution by lanthanoid-organic frameworks bearing pyridine-3,4-dicarboxylic acid and glutaric acid","CrystEngComm","2023","25","16","2418","2440","10.1039/D3CE00099K","","","0.71073","MoKα","","0.059","0.0573","","","0.1183","0.119","","","","","","1.0235","","","","has coordinates","283203","2023-05-05","01:21:10",""
"7246535","9.5113","0.0004","12.2963","0.0005","14.3259","0.0005","90","","90","","90","","1675.47","0.11","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 O2 -","- C19 H26 O2 -","- C76 H104 O8 -","4","1","","Straker, Hannah E.; McMillan, Lynn; Mardiana, Lina; Hebberd, Glen R.; Watson, Elle; Waddell, Paul G.; Probert, Michael R.; Hall, Michael J.","Polymorph prediction through observed structural isomorphism leading to a new crystalline form of cannabidiol","CrystEngComm","2023","25","16","2479","2484","10.1039/D3CE00041A","","x-ray","1.54178","CuKα","","0.0259","0.0258","","","0.0675","0.0676","","","","","","1.043","","","","has coordinates","283209","2023-05-05","01:24:29",""
"7246536","10.43482","0.00016","10.88547","0.00017","16.7749","0.0003","90","","95.4518","0.0015","90","","1896.81","0.05","150","0.2","150","0.2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H30 O2 -","- C21 H30 O2 -","- C84 H120 O8 -","4","2","","Straker, Hannah E.; McMillan, Lynn; Mardiana, Lina; Hebberd, Glen R.; Watson, Elle; Waddell, Paul G.; Probert, Michael R.; Hall, Michael J.","Polymorph prediction through observed structural isomorphism leading to a new crystalline form of cannabidiol","CrystEngComm","2023","25","16","2479","2484","10.1039/D3CE00041A","","x-ray","1.54184","CuKα","","0.0425","0.0344","","","0.0794","0.0856","","","","","","1.08","","","","has coordinates","283209","2023-05-05","01:24:29",""
"7246537","9.7147","0.0005","13.1197","0.0007","13.9392","0.0008","90","","90","","90","","1776.61","0.17","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O2 -","- C20 H28 O2 -","- C80 H112 O8 -","4","1","","Straker, Hannah E.; McMillan, Lynn; Mardiana, Lina; Hebberd, Glen R.; Watson, Elle; Waddell, Paul G.; Probert, Michael R.; Hall, Michael J.","Polymorph prediction through observed structural isomorphism leading to a new crystalline form of cannabidiol","CrystEngComm","2023","25","16","2479","2484","10.1039/D3CE00041A","","x-ray","1.54178","CuKα","","0.0287","0.0284","","","0.0763","0.0768","","","","","","1.046","","","","has coordinates","283209","2023-05-05","01:24:29",""
"7246538","11.1727","0.0013","12.5417","0.0014","13.6848","0.0016","90","","90","","90","","1917.6","0.4","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H32 O2 -","- C22 H32 O2 -","- C88 H128 O8 -","4","1","","Straker, Hannah E.; McMillan, Lynn; Mardiana, Lina; Hebberd, Glen R.; Watson, Elle; Waddell, Paul G.; Probert, Michael R.; Hall, Michael J.","Polymorph prediction through observed structural isomorphism leading to a new crystalline form of cannabidiol","CrystEngComm","2023","25","16","2479","2484","10.1039/D3CE00041A","","x-ray","1.54178","CuKα","","0.0297","0.0293","","","0.0772","0.0776","","","","","","1.088","","","","has coordinates","283209","2023-05-05","01:24:29",""
"7246539","10.1971","0.0006","13.0846","0.0008","13.6747","0.0008","90","","90","","90","","1824.55","0.19","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 O2 -","- C21 H30 O2 -","- C84 H120 O8 -","4","1","","Straker, Hannah E.; McMillan, Lynn; Mardiana, Lina; Hebberd, Glen R.; Watson, Elle; Waddell, Paul G.; Probert, Michael R.; Hall, Michael J.","Polymorph prediction through observed structural isomorphism leading to a new crystalline form of cannabidiol","CrystEngComm","2023","25","16","2479","2484","10.1039/D3CE00041A","","x-ray","1.54178","CuKα","","0.0252","0.025","","","0.0644","0.0645","","","","","","1.034","","","","has coordinates","283209","2023-05-05","01:24:29",""
"7246542","8.7789","0.0005","10.3493","0.0006","11.4397","0.0006","96.56","0.002","102.11","0.002","102.726","0.002","977.14","0.1","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","N,N'-bis(5-phenyl-5-dibenzo[a,d]cycloheptenyl)ethylenediamine 4-methylanisole","","- C52 H46 N2 O -","- C52 H46 N2 O -","- C52 H46 N2 O -","1","0.5","","Barton, Benita; Trollip, Danica B.; Hosten, Eric C.","Host behaviour of two tricyclic fused systems in mixed anisole guest solvents","CrystEngComm","2023","25","20","3013","3024","10.1039/D3CE00174A","","","0.71073","MoKα","","0.0473","0.0411","","","0.1075","0.1129","","","","","","1.05","","","","has coordinates,has disorder","284256","2023-06-05","04:22:08",""
"7246543","8.854","0.0004","10.4874","0.0005","11.4956","0.0006","96.485","0.002","102.37","0.002","102.734","0.002","1002.53","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","N,N'-bis(5-phenyl-5-dibenzo[a,d]cycloheptenyl)ethylenediamine 3-methylanisole","","- C52 H46 N2 O -","- C52 H46 N2 O -","- C52 H46 N2 O -","1","0.5","","Barton, Benita; Trollip, Danica B.; Hosten, Eric C.","Host behaviour of two tricyclic fused systems in mixed anisole guest solvents","CrystEngComm","2023","25","20","3013","3024","10.1039/D3CE00174A","","","0.71073","MoKα","","0.0589","0.0477","","","0.133","0.1436","","","","","","1.051","","","","has coordinates,has disorder","284256","2023-06-05","04:22:09",""
"7246544","12.3235","0.0007","13.4341","0.0008","13.8154","0.0008","107.75","0.002","93.267","0.002","102.939","0.002","2103.6","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","N,N'-Bis(5-phenyl-10,11-dihydro-5-dibenzo[a,d]cycloheptenyl)ethylenediamine","","- C109 H104 N4 O3 -","- C109 H104 N4 O3 -","- C109 H104 N4 O3 -","1","0.5","","Barton, Benita; Trollip, Danica B.; Hosten, Eric C.","Host behaviour of two tricyclic fused systems in mixed anisole guest solvents","CrystEngComm","2023","25","20","3013","3024","10.1039/D3CE00174A","","","0.71073","MoKα","","0.058","0.0437","","","0.1081","0.1208","","","","","","1.03","","","","has coordinates,has disorder","284256","2023-06-05","04:22:09",""
"7246545","6.6428","0.0003","14.1206","0.0007","18.279","0.0009","90","","90","","90","","1714.58","0.14","113","","113","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H26 N2 O6 S -","- C14 H26 N2 O6 S -","- C56 H104 N8 O24 S4 -","4","1","","Haku, Ryotaro; Takatori, Kazuhiko; Suzuki, Naoto; Ono, Makoto; Titapiwatanakun, Varin; Fukami, Toshiro","Exploration and characterization of a novel cocrystal hydrate consisting of captopril, an amino acid-derived drug","CrystEngComm","2023","25","17","2523","2533","10.1039/D3CE00181D","","","1.54187","CuKα","","0.0326","0.0321","","","0.0904","0.0908","","","","","","1.069","","","","has coordinates","283199","2023-05-05","01:19:09",""
"7246559","14.7676","0.0003","19.8952","0.0005","23.4556","0.0005","65.078","0.001","80.373","0.001","86.046","0.001","6161.6","0.2","193","","193","","","","","","","","","6","P -1","-P 1","2","","","","- C70 H54 Eu F12 N O9 -","- C70 H54 Eu F12 N O9 -","- C280 H216 Eu4 F48 N4 O36 -","4","2","","Yin, Sen; Li, Xiaomeng; Wang, Hongjing; Li, Jingya; Huang, Wenru; Gao, Ting; Yan, Pengfei; Zhou, Yanyan; Li, Hongfeng","Coordination-driven self-assembly of a sandwich shaped Eu(iii) complex for induced circularly polarized luminescence","CrystEngComm","2023","25","10","1541","1549","10.1039/D3CE00030C","","x-ray","0.71073","MoKα","","0.0846","0.049","","","0.0944","0.1103","","","","","","1.015","","","","has coordinates,has disorder","282235","2023-04-04","01:51:06",""
"7246566","16.7971","0.0006","10.4049","0.0004","20.9204","0.0008","90","","92.477","0.003","90","","3652.9","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H33 N9 S3 -","- C42 H33 N9 S3 -","- C168 H132 N36 S12 -","4","1","","Kedia, Moon; Soumya, K. R.; Phukon, Upasana; Mishra, Isha; Borkar, Reema L.; Vengadeshwaran, Palanichamy; Bhol, Mamina; Sathiyendiran, Malaichamy","A double ouroboros-shaped noncovalent molecular dimer","CrystEngComm","2023","25","17","2518","2522","10.1039/D3CE00264K","","","0.71073","MoKα","","0.1273","0.0628","","","0.1529","0.1913","","","","","","1.042","","","","has coordinates","283197","2023-05-05","01:18:44",""
"7246567","16.252","0.0005","9.079","0.0003","23.6755","0.0006","90","","94.965","0.003","90","","3480.26","0.18","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C41 H31 N9 S3 -","- C41 H31 N9 S3 -","- C164 H124 N36 S12 -","4","1","","Kedia, Moon; Soumya, K. R.; Phukon, Upasana; Mishra, Isha; Borkar, Reema L.; Vengadeshwaran, Palanichamy; Bhol, Mamina; Sathiyendiran, Malaichamy","A double ouroboros-shaped noncovalent molecular dimer","CrystEngComm","2023","25","17","2518","2522","10.1039/D3CE00264K","","","0.71073","MoKα","","0.1051","0.0623","","","0.1678","0.1993","","","","","","1.029","","","","has coordinates","283197","2023-05-05","01:18:48",""
"7246568","11.1814","0.0003","14.2429","0.0004","16.0263","0.0005","65.064","0.003","71.346","0.003","81.023","0.002","2192.11","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H39 N9 S3 -","- C45 H39 N9 S3 -","- C90 H78 N18 S6 -","2","1","","Kedia, Moon; Soumya, K. R.; Phukon, Upasana; Mishra, Isha; Borkar, Reema L.; Vengadeshwaran, Palanichamy; Bhol, Mamina; Sathiyendiran, Malaichamy","A double ouroboros-shaped noncovalent molecular dimer","CrystEngComm","2023","25","17","2518","2522","10.1039/D3CE00264K","","","0.71073","MoKα","","0.1003","0.0616","","","0.1509","0.1704","","","","","","1.051","","","","has coordinates,has disorder","283197","2023-05-05","01:18:48",""
"7246569","11.1802","0.0006","9.6493","0.0006","15.1332","0.0008","90","","90","","90","","1632.59","0.16","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H30 N3 P S -","- C12 H30 N3 P S -","- C48 H120 N12 P4 S4 -","4","1","","Hosseinpoor, Saeed; Pourayoubi, Mehrdad; Abrishami, Mozhgan; Sobati, Marjan; Karimi Ahmadabad, Fatemeh; Sabbaghi, Fahimeh; Nečas, Marek; Dušek, Michal; Kučeráková, Monika; Kaur, Manpreet","Competing and directing interactions in new phosphoramide/thiophosphoramide structures: energy considerations and evidence for CH⋯HC contacts and aliphatic–aromatic stacking","CrystEngComm","2023","25","17","2557","2569","10.1039/D3CE00204G","","","0.71073","MoKα","","0.0404","0.0362","","","0.0883","0.0912","","","","","","1.056","","","","has coordinates","283195","2023-05-05","01:17:43",""
"7246570","9.0129","0.0007","10.0163","0.0007","10.472","0.0007","64.525","0.007","76.954","0.006","66.104","0.007","778.78","0.11","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H15 N2 O3 P -","- C17 H15 N2 O3 P -","- C34 H30 N4 O6 P2 -","2","1","","Hosseinpoor, Saeed; Pourayoubi, Mehrdad; Abrishami, Mozhgan; Sobati, Marjan; Karimi Ahmadabad, Fatemeh; Sabbaghi, Fahimeh; Nečas, Marek; Dušek, Michal; Kučeráková, Monika; Kaur, Manpreet","Competing and directing interactions in new phosphoramide/thiophosphoramide structures: energy considerations and evidence for CH⋯HC contacts and aliphatic–aromatic stacking","CrystEngComm","2023","25","17","2557","2569","10.1039/D3CE00204G","","x-ray","0.71073","MoKα","","0.0569","0.0434","","","0.1053","0.1159","","","","","","1.036","","","","has coordinates","283195","2023-05-05","01:17:43",""
"7246571","9.4456","0.0002","12.1063","0.0002","14.6424","0.0003","90","","90","","90","","1674.38","0.06","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H15 N6 P S -","- C15 H15 N6 P S -","- C60 H60 N24 P4 S4 -","4","1","","Hosseinpoor, Saeed; Pourayoubi, Mehrdad; Abrishami, Mozhgan; Sobati, Marjan; Karimi Ahmadabad, Fatemeh; Sabbaghi, Fahimeh; Nečas, Marek; Dušek, Michal; Kučeráková, Monika; Kaur, Manpreet","Competing and directing interactions in new phosphoramide/thiophosphoramide structures: energy considerations and evidence for CH⋯HC contacts and aliphatic–aromatic stacking","CrystEngComm","2023","25","17","2557","2569","10.1039/D3CE00204G","","","0.71073","MoKα","","0.0254","0.0246","","","0.0628","0.0636","","","","","","1.052","","","","has coordinates","283195","2023-05-05","01:17:43",""
"7246572","11.2653","0.0002","19.0533","0.0004","8.9226","0.0002","90","","99.3906","0.0019","90","","1889.49","0.07","120","0.1","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H28 Cl N2 O2 P -","- C18 H28 Cl N2 O2 P -","- C72 H112 Cl4 N8 O8 P4 -","4","1","","Hosseinpoor, Saeed; Pourayoubi, Mehrdad; Abrishami, Mozhgan; Sobati, Marjan; Karimi Ahmadabad, Fatemeh; Sabbaghi, Fahimeh; Nečas, Marek; Dušek, Michal; Kučeráková, Monika; Kaur, Manpreet","Competing and directing interactions in new phosphoramide/thiophosphoramide structures: energy considerations and evidence for CH⋯HC contacts and aliphatic–aromatic stacking","CrystEngComm","2023","25","17","2557","2569","10.1039/D3CE00204G","","x-ray","1.54184","CuKα","","0.0326","0.0312","","","0.053","0.0537","","","","2.14","2.14","2.12","","","","has coordinates","283195","2023-05-05","01:17:43",""
"7246573","6.0515","0.0002","17.9235","0.0008","19.304","0.0008","90","","93.157","0.003","90","","2090.61","0.14","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H32 Cl N2 O2 P -","- C20 H32 Cl N2 O2 P -","- C80 H128 Cl4 N8 O8 P4 -","4","1","","Hosseinpoor, Saeed; Pourayoubi, Mehrdad; Abrishami, Mozhgan; Sobati, Marjan; Karimi Ahmadabad, Fatemeh; Sabbaghi, Fahimeh; Nečas, Marek; Dušek, Michal; Kučeráková, Monika; Kaur, Manpreet","Competing and directing interactions in new phosphoramide/thiophosphoramide structures: energy considerations and evidence for CH⋯HC contacts and aliphatic–aromatic stacking","CrystEngComm","2023","25","17","2557","2569","10.1039/D3CE00204G","","x-ray","1.54184","CuKα","","0.062","0.0513","","","0.0607","0.0632","","","","1.75","1.75","1.62","","","","has coordinates","283195","2023-05-05","01:17:43",""
"7246576","8.806","0.002","9.11","0.003","23.923","0.006","90","","96.827","0.006","90","","1905.6","0.9","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 Cu N4 O4 -","- C19 H18 Cu N4 O4 -","- C76 H72 Cu4 N16 O16 -","4","1","","Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Novikova, Veronika A.; Knyazev, Daniil A.; Gogoleva, Natalia V.; Blinou, Daniil O.; Efimov, Nikolay N.; Dorovatovskii, Pavel V.; Kiskin, Mikhail A.; Eremenko, Igor L.; Vologzhanina, Anna V.","Design and synthesis of copper(ii) malonates with N,N′-containing linkers","CrystEngComm","2023","25","19","2859","2870","10.1039/D3CE00081H","","","0.71073","MoKα","","0.0625","0.0441","","","0.0989","0.1067","","","","","","1.044","","","","has coordinates","284252","2023-06-05","04:20:58",""
"7246577","13.4822","0.0009","10.2082","0.0007","19.4797","0.0013","90","","105.29","0.002","90","","2586.1","0.3","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H50 Cu4 N6 O22 -","- C48 H50 Cu4 N6 O22 -","- C96 H100 Cu8 N12 O44 -","2","0.5","","Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Novikova, Veronika A.; Knyazev, Daniil A.; Gogoleva, Natalia V.; Blinou, Daniil O.; Efimov, Nikolay N.; Dorovatovskii, Pavel V.; Kiskin, Mikhail A.; Eremenko, Igor L.; Vologzhanina, Anna V.","Design and synthesis of copper(ii) malonates with N,N′-containing linkers","CrystEngComm","2023","25","19","2859","2870","10.1039/D3CE00081H","","","0.71073","MoKα","","0.1031","0.0501","","","0.0933","0.11","","","","","","0.996","","","","has coordinates","284252","2023-06-05","04:21:01",""
"7246578","13.4355","0.0011","14.4906","0.0012","8.9824","0.0007","90","","99.255","0.002","90","","1726","0.2","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 Cu N2 O5 -","- C17 H18 Cu N2 O5 -","- C68 H72 Cu4 N8 O20 -","4","1","","Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Novikova, Veronika A.; Knyazev, Daniil A.; Gogoleva, Natalia V.; Blinou, Daniil O.; Efimov, Nikolay N.; Dorovatovskii, Pavel V.; Kiskin, Mikhail A.; Eremenko, Igor L.; Vologzhanina, Anna V.","Design and synthesis of copper(ii) malonates with N,N′-containing linkers","CrystEngComm","2023","25","19","2859","2870","10.1039/D3CE00081H","","","0.71073","MoKα","","0.0604","0.0421","","","0.1033","0.1106","","","","","","1.053","","","","has coordinates","284252","2023-06-05","04:21:01",""
"7246579","9.1259","0.0007","13.4355","0.001","14.5446","0.0011","90","","90","","90","","1783.3","0.2","120","","120","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C18 H15.5 Cu N2 O4.25 -","- C18 H15.5 Cu N2 O4.2499 -","- C72 H62 Cu4 N8 O16.9996 -","4","0.5","","Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Novikova, Veronika A.; Knyazev, Daniil A.; Gogoleva, Natalia V.; Blinou, Daniil O.; Efimov, Nikolay N.; Dorovatovskii, Pavel V.; Kiskin, Mikhail A.; Eremenko, Igor L.; Vologzhanina, Anna V.","Design and synthesis of copper(ii) malonates with N,N′-containing linkers","CrystEngComm","2023","25","19","2859","2870","10.1039/D3CE00081H","","","0.71073","MoKα","","0.0825","0.0626","","","0.1297","0.1397","","","","","","1.028","","","","has coordinates,has disorder","284252","2023-06-05","04:21:01",""
"7246580","9.193","0.002","12.176","0.005","20.62","0.008","90","","98.301","0.018","90","","2283.9","1.4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 Cu N2 O8.5 -","- C22 H25 Cu N2 O8.5 -","- C88 H100 Cu4 N8 O34 -","4","1","","Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Novikova, Veronika A.; Knyazev, Daniil A.; Gogoleva, Natalia V.; Blinou, Daniil O.; Efimov, Nikolay N.; Dorovatovskii, Pavel V.; Kiskin, Mikhail A.; Eremenko, Igor L.; Vologzhanina, Anna V.","Design and synthesis of copper(ii) malonates with N,N′-containing linkers","CrystEngComm","2023","25","19","2859","2870","10.1039/D3CE00081H","","","0.71073","MoKα","","0.1371","0.0883","","","0.1828","0.2072","","","","","","1.002","","","","has coordinates,has disorder","284252","2023-06-05","04:21:01",""
"7246581","20.737","0.004","8.442","0.0017","40.952","0.008","90","","97.09","0.03","90","","7114","2","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H80 Cu4 N6 O21 -","- C64 H80 Cu4 N6 O21 -","- C256 H320 Cu16 N24 O84 -","4","0.5","","Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Novikova, Veronika A.; Knyazev, Daniil A.; Gogoleva, Natalia V.; Blinou, Daniil O.; Efimov, Nikolay N.; Dorovatovskii, Pavel V.; Kiskin, Mikhail A.; Eremenko, Igor L.; Vologzhanina, Anna V.","Design and synthesis of copper(ii) malonates with N,N′-containing linkers","CrystEngComm","2023","25","19","2859","2870","10.1039/D3CE00081H","","","0.788","","","0.1042","0.0864","","","0.2121","0.2228","","","","","","1.039","","","","has coordinates,has disorder","284252","2023-06-05","04:21:01",""
"7246582","24.8208","0.0014","19.2806","0.0011","13.1952","0.0008","90","","95.625","0.001","90","","6284.3","0.6","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H72 Cu4 N8 O24 -","- C60 H72 Cu4 N8 O24 -","- C240 H288 Cu16 N32 O96 -","4","1","","Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Novikova, Veronika A.; Knyazev, Daniil A.; Gogoleva, Natalia V.; Blinou, Daniil O.; Efimov, Nikolay N.; Dorovatovskii, Pavel V.; Kiskin, Mikhail A.; Eremenko, Igor L.; Vologzhanina, Anna V.","Design and synthesis of copper(ii) malonates with N,N′-containing linkers","CrystEngComm","2023","25","19","2859","2870","10.1039/D3CE00081H","","","0.71073","MoKα","","0.1046","0.0587","","","0.1471","0.1714","","","","","","1.016","","","","has coordinates","284252","2023-06-05","04:21:01",""
"7246583","16.7676","0.0006","13.2787","0.0005","17.0342","0.0006","90","","117.98","0.002","90","","3349.4","0.2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H87 Cu4 N6 O21.5 -","- C64 H87 Cu4 N6 O21.5 -","- C128 H174 Cu8 N12 O43 -","2","0.5","","Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Novikova, Veronika A.; Knyazev, Daniil A.; Gogoleva, Natalia V.; Blinou, Daniil O.; Efimov, Nikolay N.; Dorovatovskii, Pavel V.; Kiskin, Mikhail A.; Eremenko, Igor L.; Vologzhanina, Anna V.","Design and synthesis of copper(ii) malonates with N,N′-containing linkers","CrystEngComm","2023","25","19","2859","2870","10.1039/D3CE00081H","","","0.71073","MoKα","","0.0404","0.0331","","","0.089","0.0934","","","","","","1.067","","","","has coordinates","284252","2023-06-05","04:21:01",""
"7246584","8.7502","0.0003","9.7243","0.0003","16.258","0.0005","97.669","0.003","90.451","0.003","112.261","0.002","1266.25","0.07","303","2","303","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H26 N2 O3 -","- C31 H26 N2 O3 -","- C62 H52 N4 O6 -","2","1","","Zhang, Min; Wang, Min-Yu; Yu, Yue-Ming; Meng, Su-Su; Yan, Cui-Wei; Wu, Zhi-Yong; Li, Yan-Tuan","Supramolecular self-assembly with p-coumaric acid offers the first cocrystal for perfecting the physicochemical peculiarity and enhancing the antifungal effect of drug bifonazole","CrystEngComm","2023","25","18","2789","2801","10.1039/D3CE00082F","","","1.54186","CuKα","","0.0718","0.0654","","","0.1749","0.1818","","","","","","1.045","","","","has coordinates","284267","2023-06-05","04:25:37",""
"7246585","21.0625","0.0004","11.03858","0.00013","34.7488","0.0004","90","","98.5112","0.0013","90","","7990.1","0.2","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C85 H79 Eu2 N9 O20 -","- C85 H79 Eu2 N9 O20 -","- C340 H316 Eu8 N36 O80 -","4","0.5","","Zhao, Li-Juan; Li, Bin; Yong, Guo-Ping","Four isostructural lanthanide metal–organic frameworks: luminescence properties and fluorescence sensing for Fe3+ and Cr2O72− ions","CrystEngComm","2023","25","18","2813","2823","10.1039/D3CE00142C","","","1.54184","CuKα","","0.0537","0.042","","","0.101","0.1096","","","","","","1.039","","","","has coordinates","284264","2023-06-05","04:24:39",""
"7246586","6.925","0.003","27.776","0.011","9.963","0.005","90","","106.46","0.03","90","","1837.8","1.4","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H12 F4 N4 O3 -","- C19 H12 F4 N4 O3 -","- C76 H48 F16 N16 O12 -","4","1","","Meng, Xiao; Xu, Shu; Chen, Changqing; Guo, Lihui; Ma, Yuguo","Topochemical 1,3-dipolar cycloaddition polymerization assisted by non-covalent interactions","CrystEngComm","2023","25","18","2706","2711","10.1039/D3CE00105A","","","0.71073","MoKα","","0.1017","0.0869","","","0.207","0.2163","","","","","","1.192","","","","has coordinates","284266","2023-06-05","04:25:22",""
"7246587","9.197","0.0004","9.197","0.0004","14.6568","0.0007","90","","90","","90","","1239.74","0.1","100","2","100","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C H4 N2 O2 -","- C H4 N2 O2 -","- C16 H64 N32 O32 -","16","1","","Rai, Sunil K.; Tothadi, Srinu; Arhangelskis, Mihails; George, Christy P.; Gonnade, Rajesh G.; Nangia, Ashwini K.","Polymorph II of hydroxyurea 150 years after its first synthesis","CrystEngComm","2023","25","18","2712","2716","10.1039/D3CE00163F","","","0.71073","MoKα","","0.0353","0.0321","","","0.0988","0.1201","","","","","","1.252","","","","has coordinates","284261","2023-06-05","04:24:05",""
"7246588","8.3422","0.001","4.8944","0.0006","8.7962","0.001","90","","122.423","0.003","90","","303.16","0.06","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Hydroxyurea","","","- C H4 N2 O2 -","- C H4 N2 O2 -","- C4 H16 N8 O8 -","4","1","","Rai, Sunil K.; Tothadi, Srinu; Arhangelskis, Mihails; George, Christy P.; Gonnade, Rajesh G.; Nangia, Ashwini K.","Polymorph II of hydroxyurea 150 years after its first synthesis","CrystEngComm","2023","25","18","2712","2716","10.1039/D3CE00163F","","","0.71073","MoKα","","0.0598","0.0595","","","0.1743","0.1745","","","","","","1.164","","","","has coordinates","284261","2023-06-05","04:24:12",""
"7246604","7.909","0.00013","3.95477","0.00007","7.94357","0.00013","90","","90.0831","0.0015","90","","248.461","0.007","293","0.1","293","0.1","","","","","","","","2","P 1 21/a 1","-P 2yab","14","Europium disulfide","Europium (III) disulfide","","- Eu S2 -","- Eu S2 -","- Eu4 S8 -","4","1","","Ekimov, E. A.; Nikolaev, S. N.; Ivanova, A. G.; Sidorov, V. A.; Shiryaev, A. A.; Usmanov, I. I.; Vasiliev, A. L.; Artemov, V. V.; Kondrin, M. V.; Chernopitsskiy, M. A.; Krivobok, V. S.","Structural, optical and transport properties of layered europium disulfide synthesized under high pressure","CrystEngComm","2023","25","19","2966","2978","10.1039/D2CE01647H","","x-ray","0.71073","MoKα","","0.0144","0.0121","","","0.0229","0.0232","","","","","","1.074","","","","has coordinates","284250","2023-06-05","04:20:31",""
"7246611","10.3022","0.0005","17.0112","0.0008","13.9944","0.0007","90","","109.803","0.002","90","","2307.5","0.2","293","2","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H16 N2 O8 Zn2 -","- C25 H16 N2 O8 Zn2 -","- C100 H64 N8 O32 Zn8 -","4","1","","Zhang, Kena; Wang, Qiushuang; Gong, Yuanyuan; Wang, Nairong; Li, Xia","Four Zn(ii)-5-(2-carboxy-phenoxy)-1,3-benzenedicarboxylate coordination polymers induced by different N-ligands: synthesis, structure, and fluorescence detection for BPA and IMH","CrystEngComm","2023","25","20","3033","3043","10.1039/D3CE00179B","","","0.71073","MoKα","","0.043","0.0336","","","0.0797","0.0843","","","","","","1.05","","","","has coordinates","284259","2023-06-05","04:23:37",""
"7246612","9.3209","0.0004","9.6054","0.0004","10.9253","0.0005","97.395","0.001","92.419","0.001","103.814","0.001","939.25","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H12 N O8 Zn2 -","- C20 H12 N O8 Zn2 -","- C40 H24 N2 O16 Zn4 -","2","1","","Zhang, Kena; Wang, Qiushuang; Gong, Yuanyuan; Wang, Nairong; Li, Xia","Four Zn(ii)-5-(2-carboxy-phenoxy)-1,3-benzenedicarboxylate coordination polymers induced by different N-ligands: synthesis, structure, and fluorescence detection for BPA and IMH","CrystEngComm","2023","25","20","3033","3043","10.1039/D3CE00179B","","","0.71073","MoKα","","0.0402","0.0372","","","0.0982","0.101","","","","","","1.047","","","","has coordinates","284259","2023-06-05","04:23:37",""
"7246613","15.4865","0.0006","7.7516","0.0003","21.7882","0.0009","90","","107.48","0.001","90","","2494.79","0.17","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C56 H44 N4 O15 Zn3 -","- C56 H44 N4 O15 Zn3 -","- C112 H88 N8 O30 Zn6 -","2","0.5","","Zhang, Kena; Wang, Qiushuang; Gong, Yuanyuan; Wang, Nairong; Li, Xia","Four Zn(ii)-5-(2-carboxy-phenoxy)-1,3-benzenedicarboxylate coordination polymers induced by different N-ligands: synthesis, structure, and fluorescence detection for BPA and IMH","CrystEngComm","2023","25","20","3033","3043","10.1039/D3CE00179B","","","0.71073","MoKα","","0.048","0.0429","","","0.1154","0.12","","","","","","1.085","","","","has coordinates,has disorder","284259","2023-06-05","04:23:37",""
"7246614","21.1334","0.0008","10.3316","0.0004","26.5739","0.0008","90","","121.011","0.002","90","","4972.9","0.3","293","2","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H32 N4 O16 Zn4 -","- C54 H32 N4 O16 Zn4 -","- C216 H128 N16 O64 Zn16 -","4","1","","Zhang, Kena; Wang, Qiushuang; Gong, Yuanyuan; Wang, Nairong; Li, Xia","Four Zn(ii)-5-(2-carboxy-phenoxy)-1,3-benzenedicarboxylate coordination polymers induced by different N-ligands: synthesis, structure, and fluorescence detection for BPA and IMH","CrystEngComm","2023","25","20","3033","3043","10.1039/D3CE00179B","","","0.71073","MoKα","","0.0537","0.042","","","0.1058","0.1125","","","","","","1.023","","","","has coordinates","284259","2023-06-05","04:23:37",""
"7246615","8.2815","0.0003","16.5697","0.0001","4.7742","0.0003","90","","90","","90","","655.13","0.05","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C3 H5 N7 O2 -","- C3 H5 N7 O2 -","- C12 H20 N28 O8 -","4","1","","Zhang, Jinhao; Jin, Zhiyuan; Xia, Yunlong; Li, Ying; Hao, Wenjia; Guo, Zhicheng; Wang, Ying; Peng, Rufang; Jin, Bo","A π-stacking highly stable insensitive energetic inner salt and its insensitive energetic salts","CrystEngComm","2023","25","21","3181","3188","10.1039/D3CE00209H","","","0.71073","MoKα","","0.1267","0.0624","","","0.1222","0.1519","","","","","","1.052","","","","has coordinates","284276","2023-06-05","04:28:46",""
"7246616","3.6672","0.0003","24.648","0.002","7.3252","0.0007","90","","98.28","0.003","90","","655.22","0.1","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C3 H6 N8 O -","- C3 H6 N8 O -","- C12 H24 N32 O4 -","4","1","","Zhang, Jinhao; Jin, Zhiyuan; Xia, Yunlong; Li, Ying; Hao, Wenjia; Guo, Zhicheng; Wang, Ying; Peng, Rufang; Jin, Bo","A π-stacking highly stable insensitive energetic inner salt and its insensitive energetic salts","CrystEngComm","2023","25","21","3181","3188","10.1039/D3CE00209H","","","0.71073","MoKα","","0.0489","0.0386","","","0.0821","0.0881","","","","","","1.063","","","","has coordinates","284276","2023-06-05","04:28:49",""
"7246617","12.714","0.0016","8.0602","0.001","7.0415","0.0008","90","","95.899","0.003","90","","717.77","0.15","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C0.86 H1.71 N2.29 O0.57 -","- C0.857143 H1.71429 N2.28571 O0.571429 -","- C12 H24 N32 O8 -","14","3.5","","Zhang, Jinhao; Jin, Zhiyuan; Xia, Yunlong; Li, Ying; Hao, Wenjia; Guo, Zhicheng; Wang, Ying; Peng, Rufang; Jin, Bo","A π-stacking highly stable insensitive energetic inner salt and its insensitive energetic salts","CrystEngComm","2023","25","21","3181","3188","10.1039/D3CE00209H","","","0.71073","MoKα","","0.0506","0.0376","","","0.0848","0.0913","","","","","","1.111","","","","has coordinates","284276","2023-06-05","04:28:49",""
"7246618","12.9556","0.0015","8.7565","0.001","6.4841","0.0008","90","","104.077","0.003","90","","713.5","0.15","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H7 N9 O -","- C3 H7 N9 O -","- C12 H28 N36 O4 -","4","1","","Zhang, Jinhao; Jin, Zhiyuan; Xia, Yunlong; Li, Ying; Hao, Wenjia; Guo, Zhicheng; Wang, Ying; Peng, Rufang; Jin, Bo","A π-stacking highly stable insensitive energetic inner salt and its insensitive energetic salts","CrystEngComm","2023","25","21","3181","3188","10.1039/D3CE00209H","","","0.71073","MoKα","","0.0794","0.0572","","","0.1306","0.1412","","","","","","1.178","","","","has coordinates","284276","2023-06-05","04:28:49",""
"7246619","7.7755","0.001","9.6671","0.0012","16.403","0.002","91.184","0.003","91.699","0.003","92.084","0.002","1231.3","0.3","110.15","","110.15","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H31 Cl2 N O2 -","- C27 H31 Cl2 N O2 -","- C54 H62 Cl4 N2 O4 -","2","1","","Johnson, Oliver D.; Wainwright, Stephen G.; Whitwood, Adrian C.; Bruce, Duncan W.","Hydrogen-bonded liquid crystals formed from 4-alkoxystilbazoles and chlorophenols","CrystEngComm","2023","25","18","2778","2788","10.1039/D3CE00266G","","","0.71073","MoKα","","0.0523","0.0409","","","0.1043","0.1127","","","","","","1.034","","","","has coordinates","287935","2023-12-01","15:08:13",""
"7246620","7.8919","0.0015","11.242","0.002","14.8","0.003","76.592","0.004","81.917","0.004","76.998","0.004","1239.1","0.4","110.15","","110.15","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H31 Cl2 N O2 -","- C27 H31 Cl2 N O2 -","- C54 H62 Cl4 N2 O4 -","2","1","","Johnson, Oliver D.; Wainwright, Stephen G.; Whitwood, Adrian C.; Bruce, Duncan W.","Hydrogen-bonded liquid crystals formed from 4-alkoxystilbazoles and chlorophenols","CrystEngComm","2023","25","18","2778","2788","10.1039/D3CE00266G","","","0.71073","MoKα","","0.0602","0.0427","","","0.0978","0.1073","","","","","","1.015","","","","has coordinates","284262","2023-06-05","04:24:21",""
"7246621","7.8166","0.0016","9.981","0.002","16.223","0.003","87.546","0.004","89.183","0.004","88.641","0.004","1264.1","0.4","110.15","","110.15","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H30 Cl3 N O2 -","- C27 H30 Cl3 N O2 -","- C54 H60 Cl6 N2 O4 -","2","1","","Johnson, Oliver D.; Wainwright, Stephen G.; Whitwood, Adrian C.; Bruce, Duncan W.","Hydrogen-bonded liquid crystals formed from 4-alkoxystilbazoles and chlorophenols","CrystEngComm","2023","25","18","2778","2788","10.1039/D3CE00266G","","","0.71073","MoKα","","0.0423","0.0357","","","0.0952","0.1005","","","","","","1.034","","","","has coordinates","284262","2023-06-05","04:24:21",""
"7246622","7.938","0.009","11.115","0.013","15.689","0.018","74.87","0.02","87.11","0.02","83.09","0.02","1326","3","110.15","","110.15","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H28 Cl5 N O2 -","- C27 H28 Cl5 N O2 -","- C54 H56 Cl10 N2 O4 -","2","1","","Johnson, Oliver D.; Wainwright, Stephen G.; Whitwood, Adrian C.; Bruce, Duncan W.","Hydrogen-bonded liquid crystals formed from 4-alkoxystilbazoles and chlorophenols","CrystEngComm","2023","25","18","2778","2788","10.1039/D3CE00266G","","","0.71073","MoKα","","0.0735","0.0541","","","0.1418","0.1578","","","","","","1.021","","","","has coordinates","284262","2023-06-05","04:24:21",""
"7246628","11.3032","0.0004","9.775","0.0003","47.7728","0.0014","90","","93.4935","0.0009","90","","5268.5","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C62 H36 O8 -","- C62 H36 O8 -","- C248 H144 O32 -","4","1","","Stawiasz, Katherine J.; Deneff, Jacob I.; Reyes, Raphael A.; Woods, Toby J.; Rohwer, Lauren E. S.; Valdez, Nichole; Rodriguez, Mark A.; Lawal, Abdul; Moore, Jeffrey S.; Sava Gallis, Dorina F.","Improved quantum yield in geometrically constrained tetraphenylethylene-based metal–organic frameworks","CrystEngComm","2023","25","18","2701","2705","10.1039/D3CE00228D","","","0.71073","MoKα","","0.0775","0.0623","","","0.13","0.1373","","","","","","1.104","","","","has coordinates,has disorder","284269","2023-06-05","04:26:57",""
"7246629","10.4851","0.0005","17.0154","0.0008","24.7946","0.0011","89.7118","0.0011","89.6383","0.0012","82.0544","0.0012","4381","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C74.5 H59.5 N2.5 O10.5 Zn2 -","- C74.5 H59.5 N2.5 O10.5 Zn2 -","- C149 H119 N5 O21 Zn4 -","2","1","","Stawiasz, Katherine J.; Deneff, Jacob I.; Reyes, Raphael A.; Woods, Toby J.; Rohwer, Lauren E. S.; Valdez, Nichole; Rodriguez, Mark A.; Lawal, Abdul; Moore, Jeffrey S.; Sava Gallis, Dorina F.","Improved quantum yield in geometrically constrained tetraphenylethylene-based metal–organic frameworks","CrystEngComm","2023","25","18","2701","2705","10.1039/D3CE00228D","","","0.71073","MoKα","","0.1075","0.1034","","","0.3158","0.3259","","","","","","1.584","","","","has coordinates,has disorder","284269","2023-06-05","04:26:57",""
"7246630","4.0174","0.0005","24.741","0.0018","13.0728","0.001","90","","95.086","0.005","90","","1294.2","0.2","296","2","296","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C22 H12 F2 N4 S6 Se2 -","- C22 H12 F2 N4 S6 Se2 -","- C44 H24 F4 N8 S12 Se4 -","2","0.5","","Beau, Maxime; Jeannin, Olivier; Fourmigué, Marc; Auban-Senzier, Pascale; Pasquier, Claude; Alemany, Pere; Canadell, Enric; Jeon, Ie-Rang","Chalcogen bonding and variable charge transfer degree in two polymorphs of 1 : 1 conducting salts with segregated stacks","CrystEngComm","2023","25","21","3189","3197","10.1039/D3CE00260H","","x-ray","0.71073","MoKα","","0.0743","0.049","","","0.0968","0.1047","","","","","","1.041","","","","has coordinates","284274","2023-06-05","04:28:30",""
"7246631","16.3862","0.0016","20.785","0.002","7.6276","0.0009","90","","100.272","0.006","90","","2556.2","0.5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H12 F2 N4 S6 Se2 -","- C22 H12 F2 N4 S6 Se2 -","- C88 H48 F8 N16 S24 Se8 -","4","0.5","","Beau, Maxime; Jeannin, Olivier; Fourmigué, Marc; Auban-Senzier, Pascale; Pasquier, Claude; Alemany, Pere; Canadell, Enric; Jeon, Ie-Rang","Chalcogen bonding and variable charge transfer degree in two polymorphs of 1 : 1 conducting salts with segregated stacks","CrystEngComm","2023","25","21","3189","3197","10.1039/D3CE00260H","","x-ray","0.71073","MoKα","","0.1001","0.0511","","","0.097","0.1149","","","","","","1.022","","","","has coordinates","284274","2023-06-05","04:28:30",""
"7246632","11.1356","0.0018","13.457","0.002","15.87","0.002","90","","103.005","0.004","90","","2317.1","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H36 Cd2 N8 O16 -","- C44 H36 Cd2 N8 O16 -","- C88 H72 Cd4 N16 O32 -","2","0.5","","Ejarque, Daniel; Sánchez-Férez, Francisco; Félez-Guerrero, Núria; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Pyridine-driven assembly of Zn(ii) and Cd(ii) complexes with 2-furoic acid. The role of water in a structural transformation","CrystEngComm","2023","25","18","2739","2754","10.1039/D3CE00104K","","","0.71073","MoKα","","0.1056","0.036","","","0.0662","0.0936","","","","","","0.968","","","","has coordinates","284265","2023-06-05","04:25:03",""
"7246633","11.0553","0.0007","13.6054","0.001","15.7426","0.001","90","","104.307","0.002","90","","2294.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H36 N8 O16 Zn2 -","- C44 H36 N8 O16 Zn2 -","- C88 H72 N16 O32 Zn4 -","2","0.5","","Ejarque, Daniel; Sánchez-Férez, Francisco; Félez-Guerrero, Núria; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Pyridine-driven assembly of Zn(ii) and Cd(ii) complexes with 2-furoic acid. The role of water in a structural transformation","CrystEngComm","2023","25","18","2739","2754","10.1039/D3CE00104K","","","0.71073","MoKα","","0.0863","0.0628","","","0.1158","0.1243","","","","","","1.088","","","","has coordinates","284265","2023-06-05","04:25:03",""
"7246634","9.2175","0.0003","11.0467","0.0005","13.4532","0.0006","104.477","0.002","101.662","0.002","109.627","0.001","1186.22","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H22 Cd N2 O9 -","- C24 H22 Cd N2 O9 -","- C48 H44 Cd2 N4 O18 -","2","1","","Ejarque, Daniel; Sánchez-Férez, Francisco; Félez-Guerrero, Núria; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Pyridine-driven assembly of Zn(ii) and Cd(ii) complexes with 2-furoic acid. The role of water in a structural transformation","CrystEngComm","2023","25","18","2739","2754","10.1039/D3CE00104K","","","0.71073","MoKα","","0.0693","0.0448","","","0.092","0.1033","","","","","","1.049","","","","has coordinates","284265","2023-06-05","04:25:03",""
"7246635","12.3981","0.0006","8.4459","0.0003","15.1806","0.0007","90","","104.276","0.002","90","","1540.52","0.12","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H25 Cd2 N O16 -","- C27 H25 Cd2 N O16 -","- C54 H50 Cd4 N2 O32 -","2","1","","Ejarque, Daniel; Sánchez-Férez, Francisco; Félez-Guerrero, Núria; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Pyridine-driven assembly of Zn(ii) and Cd(ii) complexes with 2-furoic acid. The role of water in a structural transformation","CrystEngComm","2023","25","18","2739","2754","10.1039/D3CE00104K","","","0.71073","MoKα","","0.0292","0.0272","","","0.0645","0.0658","","","","","","1.037","","","","has coordinates","284265","2023-06-05","04:25:03",""
"7246636","11.7905","0.0004","11.7905","0.0004","23.9682","0.0008","90","","90","","90","","3331.96","0.19","100","2","100","2","","","","","","","","5","P 43","P 4cw","78","","","","- C34 H26 N2 O14 Zn2 -","- C34 H26 N2 O14 Zn2 -","- C136 H104 N8 O56 Zn8 -","4","1","","Ejarque, Daniel; Sánchez-Férez, Francisco; Félez-Guerrero, Núria; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Pyridine-driven assembly of Zn(ii) and Cd(ii) complexes with 2-furoic acid. The role of water in a structural transformation","CrystEngComm","2023","25","18","2739","2754","10.1039/D3CE00104K","","","0.71073","MoKα","","0.0336","0.0298","","","0.081","0.0836","","","","","","1.035","","","","has coordinates","284265","2023-06-05","04:25:03",""
"7246646","14.107","0.008","7.457","0.005","17.652","0.012","90","","107.15","0.03","90","","1774","2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Famciclovir-fumaric acid (1:0.5)","","- C16 H21 N5 O6 -","- C16 H21 N5 O6 -","- C64 H84 N20 O24 -","4","1","","Kotte, Lohith; Pendota, Vinusha; Sreedhar, Bojja; Nanubolu, Jagadeesh Babu","Famciclovir–fumaric acid: an all-in-one multicomponent system with salt, cocrystal and salt–cocrystal continuum","CrystEngComm","2023","25","17","2662","2678","10.1039/D3CE00200D","","","0.71073","MoKα","","0.0496","0.04","","","0.099","0.1053","","","","","","1.049","","","","has coordinates","283196","2023-05-05","01:18:10",""
"7246647","11.237","0.006","13.848","0.008","15.127","0.009","67.99","0.02","87.32","0.02","66.84","0.03","1992","2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Famciclovir-fumaric acid (2:2) Form I","","- C18 H23 N5 O8 -","- C18 H23 N5 O8 -","- C72 H92 N20 O32 -","4","2","","Kotte, Lohith; Pendota, Vinusha; Sreedhar, Bojja; Nanubolu, Jagadeesh Babu","Famciclovir–fumaric acid: an all-in-one multicomponent system with salt, cocrystal and salt–cocrystal continuum","CrystEngComm","2023","25","17","2662","2678","10.1039/D3CE00200D","","","0.71073","MoKα","","0.0585","0.0436","","","0.1005","0.1083","","","","","","1.053","","","","has coordinates,has disorder","283196","2023-05-05","01:18:10",""
"7246648","14.095","0.008","7.424","0.003","39.15","0.02","90","","91.267","0.013","90","","4096","4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Famciclovir-fumaric acid (2:2) Form II","","- C36 H46 N10 O16 -","- C36 H46 N10 O16 -","- C144 H184 N40 O64 -","4","1","","Kotte, Lohith; Pendota, Vinusha; Sreedhar, Bojja; Nanubolu, Jagadeesh Babu","Famciclovir–fumaric acid: an all-in-one multicomponent system with salt, cocrystal and salt–cocrystal continuum","CrystEngComm","2023","25","17","2662","2678","10.1039/D3CE00200D","","","0.71073","MoKα","","0.0829","0.0475","","","0.1056","0.1231","","","","","","1.012","","","","has coordinates","283196","2023-05-05","01:18:10",""
"7246649","11.005","0.004","12.739","0.004","11.783","0.004","90","","107.323","0.012","90","","1577","0.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Famciclovir anhydrate","","- C14 H19 N5 O4 -","- C14 H19 N5 O4 -","- C56 H76 N20 O16 -","4","1","","Kotte, Lohith; Pendota, Vinusha; Sreedhar, Bojja; Nanubolu, Jagadeesh Babu","Famciclovir–fumaric acid: an all-in-one multicomponent system with salt, cocrystal and salt–cocrystal continuum","CrystEngComm","2023","25","17","2662","2678","10.1039/D3CE00200D","","","0.71073","MoKα","","0.0576","0.0454","","","0.1071","0.1141","","","","","","1.024","","","","has coordinates","283196","2023-05-05","01:18:10",""
"7246650","14.056","0.004","7.578","0.003","17.799","0.007","90","","106.96","0.01","90","","1813.4","1.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Famciclovir-fumaric acid (1:0.5)","","- C32 H42 N10 O12 -","- C32 H42 N10 O12 -","- C64 H84 N20 O24 -","2","0.5","","Kotte, Lohith; Pendota, Vinusha; Sreedhar, Bojja; Nanubolu, Jagadeesh Babu","Famciclovir–fumaric acid: an all-in-one multicomponent system with salt, cocrystal and salt–cocrystal continuum","CrystEngComm","2023","25","17","2662","2678","10.1039/D3CE00200D","","","0.71073","MoKα","","0.091","0.0524","","","0.1201","0.1466","","","","","","1.05","","","","has coordinates","283196","2023-05-05","01:18:10",""
"7246651","14.012","0.01","7.541","0.006","39.34","0.03","90","","91.659","0.01","90","","4155","5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Famciclovir-fumaric acid (2:2) Form II","","- C36 H46 N10 O16 -","- C36 H46 N10 O16 -","- C144 H184 N40 O64 -","4","1","","Kotte, Lohith; Pendota, Vinusha; Sreedhar, Bojja; Nanubolu, Jagadeesh Babu","Famciclovir–fumaric acid: an all-in-one multicomponent system with salt, cocrystal and salt–cocrystal continuum","CrystEngComm","2023","25","17","2662","2678","10.1039/D3CE00200D","","","0.71073","MoKα","","0.1589","0.0614","","","0.1484","0.2009","","","","","","0.999","","","","has coordinates","283196","2023-05-05","01:18:10",""
"7246652","11.439","0.003","13.954","0.003","15.137","0.003","67.808","0.005","86.239","0.004","68.249","0.005","2070.1","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Famciclovir-fumaric acid (2:2) Form I","","- C18 H23 N5 O8 -","- C18 H23 N5 O8 -","- C72 H92 N20 O32 -","4","2","","Kotte, Lohith; Pendota, Vinusha; Sreedhar, Bojja; Nanubolu, Jagadeesh Babu","Famciclovir–fumaric acid: an all-in-one multicomponent system with salt, cocrystal and salt–cocrystal continuum","CrystEngComm","2023","25","17","2662","2678","10.1039/D3CE00200D","","","0.71073","MoKα","","0.0876","0.0526","","","0.1359","0.1669","","","","","","1.019","","","","has coordinates,has disorder","283196","2023-05-05","01:18:10",""
"7246653","9.4819","0.0009","10.0041","0.0008","17.2683","0.0016","83.82","0.004","75.769","0.005","84.708","0.004","1574.9","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Famciclovir monohydrate","","- C14 H21 N5 O5 -","- C14 H21 N5 O5 -","- C56 H84 N20 O20 -","4","2","","Kotte, Lohith; Pendota, Vinusha; Sreedhar, Bojja; Nanubolu, Jagadeesh Babu","Famciclovir–fumaric acid: an all-in-one multicomponent system with salt, cocrystal and salt–cocrystal continuum","CrystEngComm","2023","25","17","2662","2678","10.1039/D3CE00200D","","","0.71073","MoKα","","0.0936","0.0542","","","0.1063","0.1211","","","","","","1.039","","","","has coordinates","283196","2023-05-05","01:18:10",""
"7246654","15.3463","0.0006","6.7602","0.0002","8.0457","0.0003","90","","115.305","0.001","90","","754.6","0.05","296","","301","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- F3 Gd2 Na O8 S2 -","- F3 Gd2 Na O8 S2 -","- F12 Gd8 Na4 O32 S8 -","4","0.5","","Yan, Jingdong; Chu, Dongdong; Zhang, Fangfang; Yang, Zhihua; Pan, Shilie; Hou, Xueling","Enhancing birefringence of non-π-conjugated sulfate systems through rare-earth metal-centered polyhedra","CrystEngComm","2023","25","19","2939","2945","10.1039/D3CE00254C","","","0.71073","MoKα","","0.0145","0.0134","","","0.0291","0.0294","","","","","","1.107","","","","has coordinates","284251","2023-06-05","04:20:39",""
"7246655","15.788","0.001","6.9859","0.0004","8.3004","0.0005","90","","115.725","0.002","90","","824.74","0.09","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- F3 La2 Na O8 S2 -","- F3 La2 Na O8 S2 -","- F12 La8 Na4 O32 S8 -","4","0.5","","Yan, Jingdong; Chu, Dongdong; Zhang, Fangfang; Yang, Zhihua; Pan, Shilie; Hou, Xueling","Enhancing birefringence of non-π-conjugated sulfate systems through rare-earth metal-centered polyhedra","CrystEngComm","2023","25","19","2939","2945","10.1039/D3CE00254C","","","0.71073","MoKα","","0.0133","0.0131","","","0.033","0.0331","","","","","","1.089","","","","has coordinates","284251","2023-06-05","04:20:39",""
"7246657","10.8674","0.0007","13.4431","0.0008","17.3938","0.0011","87.805","0.002","78.109","0.001","73.839","0.001","2387.8","0.3","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C12 H22 Cr Cu4 Mo6 N14 O32 -","- C12 H22 Cr Cu4 Mo6 N14 O32 -","- C24 H44 Cr2 Cu8 Mo12 N28 O64 -","2","1","","Lu, Jun-Jun; Lin, Hong-Yan; Liu, Qian-Qian; Liu, Xiao-Dong; Wang, Xiu-Li","New pyrimidine-amide-tetrazole ligand derived polyoxometalate-based copper complexes as catalysts for sulfide-sulfoxide transformation and electrochemical sensors","CrystEngComm","2023","25","20","3025","3032","10.1039/D3CE00269A","","x-ray","0.71073","MoKα","K-L~3~","0.0984","0.0516","","","0.0874","0.0997","","","","","","1.015","","","","has coordinates","284260","2023-06-05","04:23:46",""
"7246658","10.6104","0.0019","15.5334","0.0019","14.834","0.002","90","","101.287","0.003","90","","2397.6","0.6","296.15","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H9 Cu2 Mo4 N7 O17 -","- C6 H9 Cu2 Mo4 N7 O17 -","- C24 H36 Cu8 Mo16 N28 O68 -","4","1","","Lu, Jun-Jun; Lin, Hong-Yan; Liu, Qian-Qian; Liu, Xiao-Dong; Wang, Xiu-Li","New pyrimidine-amide-tetrazole ligand derived polyoxometalate-based copper complexes as catalysts for sulfide-sulfoxide transformation and electrochemical sensors","CrystEngComm","2023","25","20","3025","3032","10.1039/D3CE00269A","","x-ray","0.71073","MoKα","K-L~3~","0.0637","0.0399","","","0.0778","0.086","","","","","","1.013","","","","has coordinates","284260","2023-06-05","04:23:47",""
"7246664","7.0683","0.0015","8.6879","0.0017","9.462","0.002","111.186","0.008","108.771","0.008","97.407","0.008","492.78","0.18","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C7 H4 N2 O S4 -","- C7 H4 N2 O S4 -","- C14 H8 N4 O2 S8 -","2","1","","Kharraz, Haia; Hachem, Hadi; Le Gal, Yann; Roisnel, Thierry; Jeannin, Olivier; Barrière, Frédéric; Guizouarn, Thierry; Lorcy, Dominique","Non-covalent interactions in neutral and oxidized tetrathiafulvalenes","CrystEngComm","2023","25","19","2946","2958","10.1039/D3CE00257H","","x-ray","0.71073","MoKα","","0.0287","0.0274","","","0.0766","0.0787","","","","","","1.029","","","","has coordinates","284253","2023-06-05","04:21:18",""
"7246665","14.498","0.0013","7.5276","0.0009","16.6742","0.0017","90","","111.731","0.005","90","","1690.4","0.3","296","2","296","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C12 H10 N2 S8 -","- C12 H10 N2 S8 -","- C48 H40 N8 S32 -","4","1","","Kharraz, Haia; Hachem, Hadi; Le Gal, Yann; Roisnel, Thierry; Jeannin, Olivier; Barrière, Frédéric; Guizouarn, Thierry; Lorcy, Dominique","Non-covalent interactions in neutral and oxidized tetrathiafulvalenes","CrystEngComm","2023","25","19","2946","2958","10.1039/D3CE00257H","","x-ray","0.71073","MoKα","","0.06","0.0374","","","0.0894","0.1013","","","","","","1.049","","","","has coordinates,has disorder","284253","2023-06-05","04:21:18",""
"7246666","9.19","0.0018","10.0186","0.0017","8.6765","0.0017","90","","98.049","0.007","90","","791","0.3","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H3 N O S4 -","- C5 H3 N O S4 -","- C20 H12 N4 O4 S16 -","4","1","","Kharraz, Haia; Hachem, Hadi; Le Gal, Yann; Roisnel, Thierry; Jeannin, Olivier; Barrière, Frédéric; Guizouarn, Thierry; Lorcy, Dominique","Non-covalent interactions in neutral and oxidized tetrathiafulvalenes","CrystEngComm","2023","25","19","2946","2958","10.1039/D3CE00257H","","x-ray","0.71073","MoKα","","0.0455","0.0385","","","0.0981","0.1036","","","","","","1.167","","","","has coordinates","284253","2023-06-05","04:21:18",""
"7246667","19.606","0.004","3.8452","0.0007","20.687","0.004","90","","91.669","0.009","90","","1558.9","0.5","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C5 N2 O S4 -","- C5 N2 O S4 -","- C40 N16 O8 S32 -","8","1","","Kharraz, Haia; Hachem, Hadi; Le Gal, Yann; Roisnel, Thierry; Jeannin, Olivier; Barrière, Frédéric; Guizouarn, Thierry; Lorcy, Dominique","Non-covalent interactions in neutral and oxidized tetrathiafulvalenes","CrystEngComm","2023","25","19","2946","2958","10.1039/D3CE00257H","","x-ray","0.71073","MoKα","","0.0738","0.0571","","","0.1197","0.1257","","","","","","1.09","","","","has coordinates","284253","2023-06-05","04:21:18",""
"7246668","6.0133","0.0003","10.3719","0.0007","14.1989","0.0009","84.691","0.002","79.633","0.002","85.606","0.002","865.76","0.09","296","2","296","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C12 H10 N2 S8 -","- C12 H10 N2 S8 -","- C24 H20 N4 S16 -","2","1","","Kharraz, Haia; Hachem, Hadi; Le Gal, Yann; Roisnel, Thierry; Jeannin, Olivier; Barrière, Frédéric; Guizouarn, Thierry; Lorcy, Dominique","Non-covalent interactions in neutral and oxidized tetrathiafulvalenes","CrystEngComm","2023","25","19","2946","2958","10.1039/D3CE00257H","","x-ray","0.71073","MoKα","","0.0349","0.0306","","","0.0807","0.0839","","","","","","1.062","","","","has coordinates","284253","2023-06-05","04:21:18",""
"7246669","7.1063","0.0015","12.405","0.003","13.462","0.004","100.797","0.012","91.933","0.013","92.39","0.009","1163.7","0.5","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C21 H7 F4 N5 S7 -","- C21 H7 F4 N5 S7 -","- C42 H14 F8 N10 S14 -","2","1","","Kharraz, Haia; Hachem, Hadi; Le Gal, Yann; Roisnel, Thierry; Jeannin, Olivier; Barrière, Frédéric; Guizouarn, Thierry; Lorcy, Dominique","Non-covalent interactions in neutral and oxidized tetrathiafulvalenes","CrystEngComm","2023","25","19","2946","2958","10.1039/D3CE00257H","","x-ray","0.71073","MoKα","","0.0589","0.0436","","","0.0899","0.0964","","","","","","1.009","","","","has coordinates,has disorder","284253","2023-06-05","04:21:18",""
"7246670","7.906","0.002","8.704","0.003","11.633","0.003","100.13","0.01","101.742","0.01","113.22","0.01","690.5","0.4","296","2","296","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C9 H7 N S7 -","- C9 H7 N S7 -","- C18 H14 N2 S14 -","2","1","","Kharraz, Haia; Hachem, Hadi; Le Gal, Yann; Roisnel, Thierry; Jeannin, Olivier; Barrière, Frédéric; Guizouarn, Thierry; Lorcy, Dominique","Non-covalent interactions in neutral and oxidized tetrathiafulvalenes","CrystEngComm","2023","25","19","2946","2958","10.1039/D3CE00257H","","x-ray","0.71073","MoKα","","0.0319","0.0274","","","0.0687","0.0727","","","","","","1.042","","","","has coordinates","284253","2023-06-05","04:21:18",""
"7246671","7.4506","0.0012","8.1175","0.0012","13.345","0.002","73.335","0.005","87.672","0.006","81.049","0.006","763.8","0.2","150","2","150","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C10 H6 N2 S8 -","- C10 H6 N2 S8 -","- C20 H12 N4 S16 -","2","1","","Kharraz, Haia; Hachem, Hadi; Le Gal, Yann; Roisnel, Thierry; Jeannin, Olivier; Barrière, Frédéric; Guizouarn, Thierry; Lorcy, Dominique","Non-covalent interactions in neutral and oxidized tetrathiafulvalenes","CrystEngComm","2023","25","19","2946","2958","10.1039/D3CE00257H","","x-ray","0.71073","MoKα","","0.0291","0.0274","","","0.0785","0.0806","","","","","","1.039","","","","has coordinates","284253","2023-06-05","04:21:18",""
"7246672","7.2339","0.001","10.7451","0.0015","13.7344","0.0019","77.886","0.005","87.003","0.005","72.421","0.005","995","0.2","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C30 H12 F4 I2 N6 S14 -","- C30 H12 F4 I2 N6 S14 -","- C30 H12 F4 I2 N6 S14 -","1","0.5","","Kharraz, Haia; Hachem, Hadi; Le Gal, Yann; Roisnel, Thierry; Jeannin, Olivier; Barrière, Frédéric; Guizouarn, Thierry; Lorcy, Dominique","Non-covalent interactions in neutral and oxidized tetrathiafulvalenes","CrystEngComm","2023","25","19","2946","2958","10.1039/D3CE00257H","","x-ray","0.71073","MoKα","","0.0469","0.0382","","","0.0895","0.094","","","","","","1.081","","","","has coordinates,has disorder","284253","2023-06-05","04:21:18",""
"7246673","11.1792","0.0003","6.3833","0.0001","7.9535","0.0002","90","","104.23","0.003","90","","550.15","0.02","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3 H4 Ag N S2 -","- C3 H4 Ag N S2 -","- C12 H16 Ag4 N4 S8 -","4","1","","Akiyoshi, Ryohei; Saeki, Akinori; Ogasawara, Kazuyoshi; Yoshikawa, Hirofumi; Nakamura, Yuiga; Tanaka, Daisuke","Selective synthesis of two-dimensional semiconductive coordination polymers with silver–sulfur network","CrystEngComm","2023","25","20","2990","2994","10.1039/D3CE00106G","","x-ray","0.4156","synchrotron","","0.0495","0.0487","","","0.1439","0.1451","","","","","","1.101","","","","has coordinates","284255","2023-06-05","04:21:38",""
"7246674","12.4028","0.0003","10.0914","0.0003","7.3468","0.0002","90","","91.801","0.002","90","","919.08","0.04","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C5 H4 Ag2 F3 N O2 S2 -","- C5 H4 Ag2 F3 N O2 S2 -","- C20 H16 Ag8 F12 N4 O8 S8 -","4","1","","Akiyoshi, Ryohei; Saeki, Akinori; Ogasawara, Kazuyoshi; Yoshikawa, Hirofumi; Nakamura, Yuiga; Tanaka, Daisuke","Selective synthesis of two-dimensional semiconductive coordination polymers with silver–sulfur network","CrystEngComm","2023","25","20","2990","2994","10.1039/D3CE00106G","","x-ray","0.71073","MoKα","","0.0463","0.0357","","","0.0866","0.0918","","","","","","1.031","","","","has coordinates","284255","2023-06-05","04:21:47",""
"7246683","11.6265","0.0004","11.6941","0.0006","12.1146","0.0006","73.313","0.002","77.928","0.001","80.047","0.001","1531.64","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","2,4,5-trifluoro-6-nitrobenzene-1,3-diamine 18-crown-6 2:1 cocrystal","","- C24 H32 F6 N6 O10 -","- C24 H32 F6 N6 O10 -","- C48 H64 F12 N12 O20 -","2","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Kryuchkova, Natalia A.; Pishchur, Denis P.; Zhukovets, Anastasia A.; Malykhin, Evgenij V.","How does the combination of the nitro group and fluorine atoms affect the (co)crystallization behaviour of arylenediamines?","CrystEngComm","2023","25","22","3284","3298","10.1039/D3CE00327B","","","0.71073","MoKα","","0.0658","0.0437","","","0.1215","0.1448","","","","","","1.011","","","","has coordinates","284915","2023-07-05","10:06:42",""
"7246684","14.0576","0.0005","11.0469","0.0003","15.0431","0.0006","90","","111.343","0.002","90","","2175.87","0.13","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","4-fluoro-6-nitrobenzene-1,3-diamine 18-crown-6 1:1 cocrystal","","- C18 H30 F N3 O8 -","- C18 H30 F N3 O8 -","- C72 H120 F4 N12 O32 -","4","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Kryuchkova, Natalia A.; Pishchur, Denis P.; Zhukovets, Anastasia A.; Malykhin, Evgenij V.","How does the combination of the nitro group and fluorine atoms affect the (co)crystallization behaviour of arylenediamines?","CrystEngComm","2023","25","22","3284","3298","10.1039/D3CE00327B","","","0.71073","MoKα","","0.0472","0.0346","","","0.08","0.0874","","","","","","1.013","","","","has coordinates","284915","2023-07-05","10:06:42",""
"7246685","11.4494","0.0006","11.7343","0.0006","12.2027","0.0006","73.603","0.002","77.788","0.002","79.85","0.002","1525.26","0.14","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","2,4-difluoro-6-nitrobenzene-1,3-diamine 18-crown-6 2:1 cocrystal","","- C24 H34 F4 N6 O10 -","- C24 H34 F4 N6 O10 -","- C48 H68 F8 N12 O20 -","2","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Kryuchkova, Natalia A.; Pishchur, Denis P.; Zhukovets, Anastasia A.; Malykhin, Evgenij V.","How does the combination of the nitro group and fluorine atoms affect the (co)crystallization behaviour of arylenediamines?","CrystEngComm","2023","25","22","3284","3298","10.1039/D3CE00327B","","","0.71073","MoKα","","0.0674","0.0411","","","0.1127","0.1347","","","","","","0.97","","","","has coordinates","284915","2023-07-05","10:06:42",""
"7246686","7.9046","0.0008","9.2505","0.0008","15.7606","0.0016","79.769","0.003","84.623","0.003","78.313","0.004","1108.61","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","2,4-difluoro-6-nitrobenzene-1,3-diamine 18-crown-6 1:1 cocrystal","","- C18 H29 F2 N3 O8 -","- C18 H29 F2 N3 O8 -","- C36 H58 F4 N6 O16 -","2","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Kryuchkova, Natalia A.; Pishchur, Denis P.; Zhukovets, Anastasia A.; Malykhin, Evgenij V.","How does the combination of the nitro group and fluorine atoms affect the (co)crystallization behaviour of arylenediamines?","CrystEngComm","2023","25","22","3284","3298","10.1039/D3CE00327B","","","0.71073","MoKα","","0.082","0.0636","","","0.1754","0.1991","","","","","","1.027","","","","has coordinates","284915","2023-07-05","10:06:42",""
"7246687","7.1452","0.0004","13.566","0.0008","7.7555","0.0005","90","","90","","90","","751.75","0.08","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2,4,5-trifluoro-6-nitrobenzene-1,3-diamine","","- C6 H4 F3 N3 O2 -","- C6 H4 F3 N3 O2 -","- C24 H16 F12 N12 O8 -","4","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Kryuchkova, Natalia A.; Pishchur, Denis P.; Zhukovets, Anastasia A.; Malykhin, Evgenij V.","How does the combination of the nitro group and fluorine atoms affect the (co)crystallization behaviour of arylenediamines?","CrystEngComm","2023","25","22","3284","3298","10.1039/D3CE00327B","","","0.71073","MoKα","","0.0421","0.033","","","0.096","0.1053","","","","","","1.047","","","","has coordinates","284915","2023-07-05","10:06:42",""
"7246688","4.5277","0.0002","11.3347","0.0006","13.835","0.0007","90","","93.899","0.0017","90","","708.37","0.06","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-fluoro-6-nitrobenzene-1,3-diamine","","- C6 H6 F N3 O2 -","- C6 H6 F N3 O2 -","- C24 H24 F4 N12 O8 -","4","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Kryuchkova, Natalia A.; Pishchur, Denis P.; Zhukovets, Anastasia A.; Malykhin, Evgenij V.","How does the combination of the nitro group and fluorine atoms affect the (co)crystallization behaviour of arylenediamines?","CrystEngComm","2023","25","22","3284","3298","10.1039/D3CE00327B","","","0.71073","MoKα","","0.048","0.0411","","","0.1123","0.1229","","","","","","1.047","","","","has coordinates","284915","2023-07-05","10:06:42",""
"7246689","8.0036","0.0007","9.2934","0.0007","15.7077","0.0012","80.801","0.004","81.339","0.004","78.77","0.004","1122.6","0.16","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","2,4,5-trifluoro-6-nitrobenzene-1,3-diamine 18-crown-6 1:1 cocrystal","","- C18 H28 F3 N3 O8 -","- C18 H28 F3 N3 O8 -","- C36 H56 F6 N6 O16 -","2","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Kryuchkova, Natalia A.; Pishchur, Denis P.; Zhukovets, Anastasia A.; Malykhin, Evgenij V.","How does the combination of the nitro group and fluorine atoms affect the (co)crystallization behaviour of arylenediamines?","CrystEngComm","2023","25","22","3284","3298","10.1039/D3CE00327B","","","0.71073","MoKα","","0.1134","0.0944","","","0.3077","0.3318","","","","","","1.013","","","","has coordinates","284915","2023-07-05","10:06:42",""
"7246690","7.6215","0.0004","3.675","0.0002","13.2829","0.0007","90","","104.936","0.002","90","","359.47","0.03","296","2","296","2","","","","","","","","5","P 1 c 1","P -2yc","7","","2,4-difluoro-6-nitrobenzene-1,3-diamine","","- C6 H5 F2 N3 O2 -","- C6 H5 F2 N3 O2 -","- C12 H10 F4 N6 O4 -","2","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Kryuchkova, Natalia A.; Pishchur, Denis P.; Zhukovets, Anastasia A.; Malykhin, Evgenij V.","How does the combination of the nitro group and fluorine atoms affect the (co)crystallization behaviour of arylenediamines?","CrystEngComm","2023","25","22","3284","3298","10.1039/D3CE00327B","","","0.71073","MoKα","","0.0282","0.0257","","","0.0765","0.0792","","","","","","1.035","","","","has coordinates","284915","2023-07-05","10:06:42",""
"7246691","13.7751","0.001","11.1808","0.0006","14.7876","0.0011","90","","109.477","0.003","90","","2147.2","0.3","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2,4-diaminenitrobenzene 18-crown-6 1:1 cocrystal","","- C18 H31 N3 O8 -","- C18 H31 N3 O8 -","- C72 H124 N12 O32 -","4","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Kryuchkova, Natalia A.; Pishchur, Denis P.; Zhukovets, Anastasia A.; Malykhin, Evgenij V.","How does the combination of the nitro group and fluorine atoms affect the (co)crystallization behaviour of arylenediamines?","CrystEngComm","2023","25","22","3284","3298","10.1039/D3CE00327B","","","0.71073","MoKα","","0.0458","0.0403","","","0.1076","0.115","","","","","","0.986","","","","has coordinates","284915","2023-07-05","10:06:42",""
"7246692","19.017","0.004","10.115","0.002","13.08","0.003","90","","97.672","0.008","90","","2493.5","0.9","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 Cd F6 N8 Si -","- C24 H20 Cd F6 N8 Si -","- C96 H80 Cd4 F24 N32 Si4 -","4","0.5","","Wu, Xue; Li, Ding; Xu, Lei; Jiang, Yu-Fei; Zhao, Yue; Zhao, Jing","Construction of Cd(ii)-based metal–organic frameworks incorporating SiF62− as fluorescence sensors for arginine","CrystEngComm","2023","25","21","3222","3228","10.1039/D3CE00302G","","","0.71073","MoKα","","0.0404","0.0328","","","0.1134","0.1293","","","","","","1.017","","","","has coordinates","284270","2023-06-05","04:27:06",""
"7246693","18.5204","0.0011","18.0376","0.001","12.4569","0.0007","90","","125.092","0.002","90","","3405","0.3","193","2","193","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 Cd F6 N8 Si -","- C24 H20 Cd F6 N8 Si -","- C96 H80 Cd4 F24 N32 Si4 -","4","0.5","","Wu, Xue; Li, Ding; Xu, Lei; Jiang, Yu-Fei; Zhao, Yue; Zhao, Jing","Construction of Cd(ii)-based metal–organic frameworks incorporating SiF62− as fluorescence sensors for arginine","CrystEngComm","2023","25","21","3222","3228","10.1039/D3CE00302G","","","1.34139","GaKα","","0.0733","0.0698","","","0.2575","0.2611","","","","","","1.385","","","","has coordinates","284270","2023-06-05","04:27:09",""
"7246701","10.8682","0.0002","32.7516","0.0008","13.6339","0.0002","90","","98.507","0.001","90","","4799.61","0.16","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H44 Cu F6 N2 O P3 -","- C54 H44 Cu F6 N2 O P3 -","- C216 H176 Cu4 F24 N8 O4 P12 -","4","1","","Gejsnæs-Schaad, Deyanira; Meyer, Marco; Prescimone, Alessandro; Housecroft, Catherine E.; Constable, Edwin C.","Introducing intramolecular, interligand arene–alkynyl π-interactions into heteroleptic [Cu(N^N)(P^P)]+ complexes","CrystEngComm","2023","25","20","3000","3012","10.1039/D3CE00355H","","x-ray","1.54186","CuKα","","0.1035","0.0871","","","0.1739","0.19","","","","","","1.128","","","","has coordinates,has disorder","284257","2023-06-05","04:23:00",""
"7246702","10.8302","0.0004","11.9965","0.0004","17.2894","0.0006","98.862","0.003","95.289","0.003","102.775","0.003","2145.9","0.14","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C50 H40 Cu F6 N2 O P3 -","- C50 H40 Cu F6 N2 O P3 -","- C100 H80 Cu2 F12 N4 O2 P6 -","2","1","","Gejsnæs-Schaad, Deyanira; Meyer, Marco; Prescimone, Alessandro; Housecroft, Catherine E.; Constable, Edwin C.","Introducing intramolecular, interligand arene–alkynyl π-interactions into heteroleptic [Cu(N^N)(P^P)]+ complexes","CrystEngComm","2023","25","20","3000","3012","10.1039/D3CE00355H","","x-ray","1.54186","CuKα","","0.115","0.0885","","","0.1749","0.1998","","","","","","0.95","","","","has coordinates","284257","2023-06-05","04:23:01",""
"7246703","10.9817","0.0008","15.119","0.0008","18.478","0.0012","112.459","0.003","93.961","0.003","108.337","0.005","2627.9","0.3","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C54.5 H47 Cl3 Cu F6 N2 O P3 -","- C53 H44 Cu F6 N2 O P3 -","- C106 H88 Cu2 F12 N4 O2 P6 -","2","1","","Gejsnæs-Schaad, Deyanira; Meyer, Marco; Prescimone, Alessandro; Housecroft, Catherine E.; Constable, Edwin C.","Introducing intramolecular, interligand arene–alkynyl π-interactions into heteroleptic [Cu(N^N)(P^P)]+ complexes","CrystEngComm","2023","25","20","3000","3012","10.1039/D3CE00355H","","x-ray","1.54186","CuKα","","0.1179","0.0889","","","0.1724","0.1935","","","","","","0.995","","","","has coordinates","284257","2023-06-05","04:23:01",""
"7246704","17.0919","0.0003","14.2952","0.0003","20.6426","0.0003","90","","103.521","0.001","90","","4903.86","0.15","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C57 H48 Cu F6 N2 O P3 -","- C57 H48 Cu F6 N2 O P3 -","- C228 H192 Cu4 F24 N8 O4 P12 -","4","1","","Gejsnæs-Schaad, Deyanira; Meyer, Marco; Prescimone, Alessandro; Housecroft, Catherine E.; Constable, Edwin C.","Introducing intramolecular, interligand arene–alkynyl π-interactions into heteroleptic [Cu(N^N)(P^P)]+ complexes","CrystEngComm","2023","25","20","3000","3012","10.1039/D3CE00355H","","x-ray","1.54186","CuKα","","0.0936","0.0829","","","0.1745","0.1846","","","","","","1.013","","","","has coordinates","284257","2023-06-05","04:23:01",""
"7246705","6.6336","0.0001","8.8279","0.0001","10.2569","0.0002","90","","90.9385","0.0012","90","","600.571","0.016","293","","296.68","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- B2 Na3 O6 Pr -","- B2 Na3 O6 Pr -","- B8 Na12 O24 Pr4 -","4","1","","Kuznetsov, Artem B.; Jamous, Ammar Y.; Svetlichnyi, Valery A.; Volkov, Sergey N.; Korolkov, Ilya V.; Kokh, Konstantin A.; Gorelova, Liudmila A.; Krzhizhanovskaya, Maria G.; Aksenov, Sergey M.; Kokh, Alexander E.","Growth and characterization of Na3R(BO3)2 (R = La–Gd) borates: crystal structure, high-temperature behavior, and optical properties","CrystEngComm","2023","25","19","2914","2924","10.1039/D3CE00248A","","x-ray","0.71073","MoKα","","0.0196","0.0182","","","0.0257","0.0261","","","","1.7","1.7","1.68","","","","has coordinates","284254","2023-06-05","04:21:28",""
"7246706","6.5247","0.0001","8.7309","0.0001","10.1447","0.0001","90","","90.8656","0.0011","90","","577.842","0.012","293","","294.7","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- B2 Gd Na3 O6 -","- B2 Gd Na3 O6 -","- B8 Gd4 Na12 O24 -","4","1","","Kuznetsov, Artem B.; Jamous, Ammar Y.; Svetlichnyi, Valery A.; Volkov, Sergey N.; Korolkov, Ilya V.; Kokh, Konstantin A.; Gorelova, Liudmila A.; Krzhizhanovskaya, Maria G.; Aksenov, Sergey M.; Kokh, Alexander E.","Growth and characterization of Na3R(BO3)2 (R = La–Gd) borates: crystal structure, high-temperature behavior, and optical properties","CrystEngComm","2023","25","19","2914","2924","10.1039/D3CE00248A","","x-ray","0.71073","MoKα","","0.0169","0.0156","","","0.0217","0.0223","","","","1.45","1.45","1.44","","","","has coordinates","284254","2023-06-05","04:21:28",""
"7246707","4.3315","0.0004","18.5293","0.0017","21.324","0.002","90","","93.751","0.004","90","","1707.8","0.3","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 Br N2 O -","- C22 H15 Br N2 O -","- C88 H60 Br4 N8 O4 -","4","1","","Manoharan, Deepak; Ahmad, Shamim; Emmerling, Franziska; Bhattacharya, Biswajit; Ghosh, Soumyajit","Stress and light sensitive dual-mechanical property of acylhydrazone crystal","CrystEngComm","2023","25","21","3237","3244","10.1039/D3CE00296A","","","0.71073","MoKα","","0.0624","0.0425","","","0.1017","0.1149","","","","","","1.038","","","","has coordinates","284272","2023-06-05","04:28:09",""
"7246710","7.7814","0.0012","10.0144","0.0012","15.979","0.002","87.193","0.007","77.808","0.007","69.864","0.007","1142.3","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H28 N2 O6 -","- C24 H28 N2 O6 -","- C48 H56 N4 O12 -","2","1","","Acebedo-Martínez, Francisco Javier; Domínguez-Martín, Alicia; Alarcón-Payer, Carolina; Frontera, Antonio; Ibáñez, Ángel; Choquesillo-Lazarte, Duane","Evaluation of synthon influence on ethenzamide–polyphenol pharmaceutical cocrystals","CrystEngComm","2023","25","21","3150","3163","10.1039/D3CE00234A","","","1.54178","CuKα","","0.0686","0.0593","","","0.1876","0.1971","","","","","","1.043","","","","has coordinates","284271","2023-06-05","04:27:45",""
"7246711","7.2548","0.0005","9.0844","0.0006","9.5457","0.0005","99.864","0.003","99.082","0.003","107.888","0.003","574.8","0.06","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H14 N O3 -","- C12 H14 N O3 -","- C24 H28 N2 O6 -","2","1","","Acebedo-Martínez, Francisco Javier; Domínguez-Martín, Alicia; Alarcón-Payer, Carolina; Frontera, Antonio; Ibáñez, Ángel; Choquesillo-Lazarte, Duane","Evaluation of synthon influence on ethenzamide–polyphenol pharmaceutical cocrystals","CrystEngComm","2023","25","21","3150","3163","10.1039/D3CE00234A","","","1.54178","CuKα","","0.0465","0.0443","","","0.1235","0.1264","","","","","","1.065","","","","has coordinates","284271","2023-06-05","04:27:55",""
"7246712","9.931","0.0007","10.0681","0.0006","12.1027","0.0008","90","","99.78","0.004","90","","1192.52","0.14","298","2","298","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C24 H28 N2 O7 -","- C24 H28 N2 O7 -","- C48 H56 N4 O14 -","2","1","","Acebedo-Martínez, Francisco Javier; Domínguez-Martín, Alicia; Alarcón-Payer, Carolina; Frontera, Antonio; Ibáñez, Ángel; Choquesillo-Lazarte, Duane","Evaluation of synthon influence on ethenzamide–polyphenol pharmaceutical cocrystals","CrystEngComm","2023","25","21","3150","3163","10.1039/D3CE00234A","","","1.54178","CuKα","","0.0472","0.0404","","","0.1043","0.1108","","","","","","1.04","","","","has coordinates","284271","2023-06-05","04:27:57",""
"7246713","10.2189","0.0006","13.8655","0.001","16.3778","0.001","90","","93.473","0.003","90","","2316.3","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 N2 O6 -","- C24 H28 N2 O6 -","- C96 H112 N8 O24 -","4","1","","Acebedo-Martínez, Francisco Javier; Domínguez-Martín, Alicia; Alarcón-Payer, Carolina; Frontera, Antonio; Ibáñez, Ángel; Choquesillo-Lazarte, Duane","Evaluation of synthon influence on ethenzamide–polyphenol pharmaceutical cocrystals","CrystEngComm","2023","25","21","3150","3163","10.1039/D3CE00234A","","","1.54178","CuKα","","0.0447","0.0395","","","0.1139","0.1208","","","","","","1.064","","","","has coordinates","284271","2023-06-05","04:28:01",""
"7246714","21.6511","0.0017","6.9602","0.0006","5.9635","0.0005","90","","90","","90","","898.68","0.13","100","","100","","","","","","","","","5","P n m a","-P 2ac 2n","62","","1,4-diazabicyclo[2,2,2]octane iodine chloride","","- C6 H12 Cl0.95 I1.05 N2 -","- C6 H12 Cl0.9528 I1.0472 N2 -","- C24 H48 Cl3.8112 I4.1888 N8 -","4","0.5","","Torubaev, Yury V.; Howe, Devin; Leitus, Gregory; Rosokha, Sergiy V.","The relationship between the crystal habit and the energy framework pattern: a case study involving halogen bonding on the edge of a covalent bond","CrystEngComm","2023","25","23","3380","3390","10.1039/D3CE00316G","","","0.71073","MoKα","","0.049","0.0291","","","0.0563","0.0608","","","","","","1.046","","","","has coordinates","284921","2023-07-05","10:09:27",""
"7246715","21.6028","0.0009","7.1603","0.0003","5.9684","0.0002","90","","90","","90","","923.21","0.06","100","","100","","","","","","","","","5","P n m a","-P 2ac 2n","62","","1,4-diazabicyclo[2,2,2]octane iodine bromide","","- C6 H12 Br0.96 I0.98 N2 -","- C6 H12 Br0.957 I0.983 N2 -","- C24 H48 Br3.828 I3.932 N8 -","4","0.5","","Torubaev, Yury V.; Howe, Devin; Leitus, Gregory; Rosokha, Sergiy V.","The relationship between the crystal habit and the energy framework pattern: a case study involving halogen bonding on the edge of a covalent bond","CrystEngComm","2023","25","23","3380","3390","10.1039/D3CE00316G","","","0.71073","MoKα","","0.0157","0.0141","","","0.0284","0.0287","","","","","","1.105","","","","has coordinates","284921","2023-07-05","10:09:27",""
"7246716","29.742","0.003","4.0442","0.0004","21.075","0.002","90","","114.857","0.003","90","","2300.1","0.4","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","phenazine iodine bromide","","- C12 H8 Br I N2 -","- C12 H8 Br I N2 -","- C96 H64 Br8 I8 N16 -","8","1","","Torubaev, Yury V.; Howe, Devin; Leitus, Gregory; Rosokha, Sergiy V.","The relationship between the crystal habit and the energy framework pattern: a case study involving halogen bonding on the edge of a covalent bond","CrystEngComm","2023","25","23","3380","3390","10.1039/D3CE00316G","","","0.71073","MoKα","","0.061","0.0403","","","0.0788","0.0864","","","","","","1.037","","","","has coordinates","284921","2023-07-05","10:09:27",""
"7246730","6.8819","0.0004","18.2382","0.001","8.3735","0.0005","90","","101.22","0.002","90","","1030.9","0.1","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H25 N3 O -","- C24 H25 N3 O -","- C48 H50 N6 O2 -","2","1","","Liu, Miaochang; Xu, Xinyue; Chen, Yating; Ding, Qiuping; Lei, Yunxiang; Wu, Huayue; Huang, Xiaobo","Crystal structures, dual-state emissions and polymer-based doped room-temperature phosphorescence of 8-benzyloxyisoquinoline derivatives","CrystEngComm","2023","25","22","3264","3270","10.1039/D3CE00231D","","","0.71073","MoKα","","0.0401","0.0346","","","0.0796","0.0839","","","","","","1.048","","","","has coordinates","284914","2023-07-05","10:06:10",""
"7246731","19.673","0.007","7.589","0.002","27.281","0.007","90","","90","","90","","4073","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H24 F N3 O -","- C24 H24 F N3 O -","- C192 H192 F8 N24 O8 -","8","1","","Liu, Miaochang; Xu, Xinyue; Chen, Yating; Ding, Qiuping; Lei, Yunxiang; Wu, Huayue; Huang, Xiaobo","Crystal structures, dual-state emissions and polymer-based doped room-temperature phosphorescence of 8-benzyloxyisoquinoline derivatives","CrystEngComm","2023","25","22","3264","3270","10.1039/D3CE00231D","","","0.71073","MoKα","","0.1827","0.0749","","","0.1566","0.2194","","","","","","1.034","","","","has coordinates","284914","2023-07-05","10:06:14",""
"7246732","21.3712","0.0007","10.6818","0.0003","19.0014","0.0006","90","","97.424","0.001","90","","4301.3","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 Br N3 O -","- C24 H24 Br N3 O -","- C192 H192 Br8 N24 O8 -","8","1","","Liu, Miaochang; Xu, Xinyue; Chen, Yating; Ding, Qiuping; Lei, Yunxiang; Wu, Huayue; Huang, Xiaobo","Crystal structures, dual-state emissions and polymer-based doped room-temperature phosphorescence of 8-benzyloxyisoquinoline derivatives","CrystEngComm","2023","25","22","3264","3270","10.1039/D3CE00231D","","","0.71073","MoKα","","0.0826","0.0503","","","0.1295","0.1504","","","","","","1.042","","","","has coordinates","284914","2023-07-05","10:06:17",""
"7246733","10.7226","0.0008","13.7126","0.0011","14.8083","0.0013","90","","93.229","0.003","90","","2173.9","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H24 Cl N3 O -","- C24 H24 Cl N3 O -","- C96 H96 Cl4 N12 O4 -","4","2","","Liu, Miaochang; Xu, Xinyue; Chen, Yating; Ding, Qiuping; Lei, Yunxiang; Wu, Huayue; Huang, Xiaobo","Crystal structures, dual-state emissions and polymer-based doped room-temperature phosphorescence of 8-benzyloxyisoquinoline derivatives","CrystEngComm","2023","25","22","3264","3270","10.1039/D3CE00231D","","","0.71073","MoKα","","0.0829","0.0486","","","0.1063","0.1262","","","","","","1.033","","","","has coordinates","284914","2023-07-05","10:06:17",""
"7246734","15.3952","0.001","31.5081","0.0017","9.8531","0.0006","90","","90","","90","","4779.5","0.5","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C25 H27 N3 O -","- C25 H27 N3 O -","- C200 H216 N24 O8 -","8","1","","Liu, Miaochang; Xu, Xinyue; Chen, Yating; Ding, Qiuping; Lei, Yunxiang; Wu, Huayue; Huang, Xiaobo","Crystal structures, dual-state emissions and polymer-based doped room-temperature phosphorescence of 8-benzyloxyisoquinoline derivatives","CrystEngComm","2023","25","22","3264","3270","10.1039/D3CE00231D","","","0.71073","MoKα","","0.1147","0.0641","","","0.1607","0.1887","","","","","","1.03","","","","has coordinates","284914","2023-07-05","10:06:17",""
"7246735","11.0228","0.0014","11.0661","0.0013","19.024","0.003","80.438","0.004","87.096","0.004","85.625","0.004","2279.9","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H27 N3 O3 -","- C26 H27 N3 O3 -","- C104 H108 N12 O12 -","4","2","","Liu, Miaochang; Xu, Xinyue; Chen, Yating; Ding, Qiuping; Lei, Yunxiang; Wu, Huayue; Huang, Xiaobo","Crystal structures, dual-state emissions and polymer-based doped room-temperature phosphorescence of 8-benzyloxyisoquinoline derivatives","CrystEngComm","2023","25","22","3264","3270","10.1039/D3CE00231D","","","0.71073","MoKα","","0.0693","0.0479","","","0.1174","0.1338","","","","","","1.05","","","","has coordinates","284914","2023-07-05","10:06:17",""
"7246736","9.4961","0.0003","16.3124","0.0005","17.0312","0.0006","75.852","0.001","84.434","0.001","78.983","0.001","2507.53","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H23 F6 N3 O -","- C26 H23 F6 N3 O -","- C104 H92 F24 N12 O4 -","4","2","","Liu, Miaochang; Xu, Xinyue; Chen, Yating; Ding, Qiuping; Lei, Yunxiang; Wu, Huayue; Huang, Xiaobo","Crystal structures, dual-state emissions and polymer-based doped room-temperature phosphorescence of 8-benzyloxyisoquinoline derivatives","CrystEngComm","2023","25","22","3264","3270","10.1039/D3CE00231D","","","0.71073","MoKα","","0.0811","0.0499","","","0.1192","0.1418","","","","","","1.032","","","","has coordinates,has disorder","284914","2023-07-05","10:06:17",""
"7246737","10.8627","0.0003","10.9176","0.0003","10.9887","0.0004","80.548","0.001","87.969","0.001","61.512","0.001","1128.47","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H29 N3 O -","- C26 H29 N3 O -","- C52 H58 N6 O2 -","2","1","","Liu, Miaochang; Xu, Xinyue; Chen, Yating; Ding, Qiuping; Lei, Yunxiang; Wu, Huayue; Huang, Xiaobo","Crystal structures, dual-state emissions and polymer-based doped room-temperature phosphorescence of 8-benzyloxyisoquinoline derivatives","CrystEngComm","2023","25","22","3264","3270","10.1039/D3CE00231D","","","0.71073","MoKα","","0.0733","0.0566","","","0.1564","0.1747","","","","","","1.048","","","","has coordinates","284914","2023-07-05","10:06:17",""
"7246738","7.8031","0.0003","10.8097","0.0004","13.6803","0.0005","104.082","0.001","92.947","0.001","108.109","0.001","1053.66","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H24 N4 O -","- C25 H24 N4 O -","- C50 H48 N8 O2 -","2","1","","Liu, Miaochang; Xu, Xinyue; Chen, Yating; Ding, Qiuping; Lei, Yunxiang; Wu, Huayue; Huang, Xiaobo","Crystal structures, dual-state emissions and polymer-based doped room-temperature phosphorescence of 8-benzyloxyisoquinoline derivatives","CrystEngComm","2023","25","22","3264","3270","10.1039/D3CE00231D","","","0.71073","MoKα","","0.0743","0.0577","","","0.154","0.1689","","","","","","1.061","","","","has coordinates","284914","2023-07-05","10:06:17",""
"7246739","10.73","0.0009","13.6341","0.001","14.815","0.0014","90","","90.254","0.003","90","","2167.3","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H24 N4 O3 -","- C24 H24 N4 O3 -","- C96 H96 N16 O12 -","4","2","","Liu, Miaochang; Xu, Xinyue; Chen, Yating; Ding, Qiuping; Lei, Yunxiang; Wu, Huayue; Huang, Xiaobo","Crystal structures, dual-state emissions and polymer-based doped room-temperature phosphorescence of 8-benzyloxyisoquinoline derivatives","CrystEngComm","2023","25","22","3264","3270","10.1039/D3CE00231D","","","0.71073","MoKα","","0.0792","0.0487","","","0.1011","0.1224","","","","","","1.071","","","","has coordinates","284914","2023-07-05","10:06:17",""
"7246740","10.468","0.004","5.3181","0.0019","12.162","0.005","90","","104.68","0.04","90","","655","0.5","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H11 N O3 -","- C5 H11 N O3 -","- C20 H44 N4 O12 -","4","1","","Zhou, Fuli; Body, Carole; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","On the pairwise cocrystallization of racemic compounds","CrystEngComm","2023","25","20","3060","3065","10.1039/D3CE00226H","","","0.71073","MoKα","","0.0903","0.0513","","","0.1209","0.1395","","","","","","1.053","","","","has coordinates,has disorder","284258","2023-06-05","04:23:23",""
"7246741","11.8318","0.0007","5.8252","0.0003","13.9008","0.0008","90","","113.879","0.007","90","","876.07","0.1","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H21 Cl N2 O5 -","- C16 H21 Cl N2 O5 -","- C32 H42 Cl2 N4 O10 -","2","1","","Zhou, Fuli; Body, Carole; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","On the pairwise cocrystallization of racemic compounds","CrystEngComm","2023","25","20","3060","3065","10.1039/D3CE00226H","","","0.71073","MoKα","","0.0659","0.0581","","","0.1563","0.162","","","","","","1.068","","","","has coordinates","284258","2023-06-05","04:23:25",""
"7246742","11.2568","0.0008","5.7371","0.0003","22.5561","0.0018","90","","103.029","0.008","90","","1419.2","0.17","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H19 N O5 -","- C14 H19 N O5 -","- C56 H76 N4 O20 -","4","1","","Zhou, Fuli; Body, Carole; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","On the pairwise cocrystallization of racemic compounds","CrystEngComm","2023","25","20","3060","3065","10.1039/D3CE00226H","","","0.71073","MoKα","","0.1258","0.0809","","","0.1781","0.199","","","","","","1.096","","","","has coordinates,has disorder","284258","2023-06-05","04:23:25",""
"7246743","8.4198","0.0011","5.8428","0.0007","8.6049","0.0009","90","","91.92","0.011","90","","423.08","0.09","297","2","297","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C9 H10 O3 -","- C9 H10 O3 -","- C18 H20 O6 -","2","1","","Zhou, Fuli; Body, Carole; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","On the pairwise cocrystallization of racemic compounds","CrystEngComm","2023","25","20","3060","3065","10.1039/D3CE00226H","","","0.71073","MoKα","","0.0352","0.0325","","","0.0822","0.0834","","","","","","1.082","","","","has coordinates","284258","2023-06-05","04:23:25",""
"7246744","7.737","0.0014","10.7279","0.0012","11.583","0.002","63.137","0.016","86.083","0.015","84.134","0.013","852.9","0.3","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H21 Cl N2 O5 -","- C16 H21 Cl N2 O5 -","- C32 H42 Cl2 N4 O10 -","2","1","","Zhou, Fuli; Body, Carole; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","On the pairwise cocrystallization of racemic compounds","CrystEngComm","2023","25","20","3060","3065","10.1039/D3CE00226H","","","0.71073","MoKα","","0.0438","0.0405","","","0.1019","0.1045","","","","","","1.048","","","","has coordinates,has disorder","284258","2023-06-05","04:23:25",""
"7246745","10.1357","0.0007","17.1919","0.0016","9.1265","0.0007","90","","90","","90","","1590.3","0.2","297","2","297","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C15 H21 N O4 -","- C15 H21 N O4 -","- C60 H84 N4 O16 -","4","1","","Zhou, Fuli; Body, Carole; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","On the pairwise cocrystallization of racemic compounds","CrystEngComm","2023","25","20","3060","3065","10.1039/D3CE00226H","","","0.71073","MoKα","","0.0779","0.0567","","","0.1433","0.1544","","","","","","1.053","","","","has coordinates,has disorder","284258","2023-06-05","04:23:25",""
"7246746","5.7579","0.0008","19.399","0.003","27.176","0.003","90","","90.64","0.012","90","","3035.3","0.7","297","2","297","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C30 H38 N2 O12 -","- C30 H38 N2 O12 -","- C120 H152 N8 O48 -","4","1","","Zhou, Fuli; Body, Carole; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","On the pairwise cocrystallization of racemic compounds","CrystEngComm","2023","25","20","3060","3065","10.1039/D3CE00226H","","","0.71073","MoKα","","0.1125","0.0819","","","0.1907","0.2203","","","","","","1.099","","","","has coordinates","284258","2023-06-05","04:23:25",""
"7246747","7.0457","0.0014","8.2146","0.0009","13.342","0.003","106.407","0.014","90.268","0.016","106.101","0.014","708.8","0.2","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H16 Cl N O5 -","- C13 H16 Cl N O5 -","- C26 H32 Cl2 N2 O10 -","2","1","","Zhou, Fuli; Body, Carole; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","On the pairwise cocrystallization of racemic compounds","CrystEngComm","2023","25","20","3060","3065","10.1039/D3CE00226H","","","0.71073","MoKα","","0.0782","0.0577","","","0.1343","0.1441","","","","","","1.059","","","","has coordinates,has disorder","284258","2023-06-05","04:23:25",""
"7246748","10.4273","0.0003","9.0611","0.0003","30.1865","0.001","90","","90","","90","","2852.11","0.16","297","2","297","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H19 N O5 -","- C14 H19 N O5 -","- C112 H152 N8 O40 -","8","1","","Zhou, Fuli; Body, Carole; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","On the pairwise cocrystallization of racemic compounds","CrystEngComm","2023","25","20","3060","3065","10.1039/D3CE00226H","","","0.71073","MoKα","","0.0714","0.0531","","","0.135","0.1453","","","","","","1.038","","","","has coordinates,has disorder","284258","2023-06-05","04:23:25",""
"7246749","9.4241","0.0007","37.399","0.002","10.4169","0.0011","90","","90.501","0.008","90","","3671.3","0.5","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H27 N O4 -","- C18 H27 N O4 -","- C144 H216 N8 O32 -","8","2","","Zhou, Fuli; Body, Carole; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","On the pairwise cocrystallization of racemic compounds","CrystEngComm","2023","25","20","3060","3065","10.1039/D3CE00226H","","","0.71073","MoKα","","0.0994","0.0611","","","0.141","0.1631","","","","","","1.065","","","","has coordinates,has disorder","284258","2023-06-05","04:23:25",""
"7246750","5.9135","0.0003","18.547","0.0009","31.3947","0.0016","90","","94.307","0.005","90","","3433.6","0.3","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H40 F2 N2 O6 -","- C38 H40 F2 N2 O6 -","- C152 H160 F8 N8 O24 -","4","1","","Zhou, Fuli; Body, Carole; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","On the pairwise cocrystallization of racemic compounds","CrystEngComm","2023","25","20","3060","3065","10.1039/D3CE00226H","","","0.71073","MoKα","","0.1154","0.0707","","","0.1271","0.1414","","","","","","1.143","","","","has coordinates","284258","2023-06-05","04:23:25",""
"7246751","11.8613","0.0014","5.7602","0.0007","13.2858","0.0014","90","","110.458","0.012","90","","850.48","0.18","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H21 F N2 O5 -","- C16 H21 F N2 O5 -","- C32 H42 F2 N4 O10 -","2","1","","Zhou, Fuli; Body, Carole; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","On the pairwise cocrystallization of racemic compounds","CrystEngComm","2023","25","20","3060","3065","10.1039/D3CE00226H","","","0.71073","MoKα","","0.1045","0.0642","","","0.1171","0.1298","","","","","","1.077","","","","has coordinates","284258","2023-06-05","04:23:25",""
"7246752","9.8806","0.0018","9.6156","0.0019","25.364","0.006","90","","90","","90","","2409.8","0.9","297","2","297","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H17 N O6 -","- C10 H17 N O6 -","- C80 H136 N8 O48 -","8","1","","Zhou, Fuli; Body, Carole; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","On the pairwise cocrystallization of racemic compounds","CrystEngComm","2023","25","20","3060","3065","10.1039/D3CE00226H","","","0.71073","MoKα","","0.1073","0.0819","","","0.1632","0.1773","","","","","","1.151","","","","has coordinates","284258","2023-06-05","04:23:25",""
"7246753","7.406","0.005","8.459","0.002","12.281","0.007","102.89","0.04","101.66","0.06","103.44","0.04","702.8","0.7","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H16 F N O5 -","- C13 H16 F N O5 -","- C26 H32 F2 N2 O10 -","2","1","","Zhou, Fuli; Body, Carole; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","On the pairwise cocrystallization of racemic compounds","CrystEngComm","2023","25","20","3060","3065","10.1039/D3CE00226H","","","0.71073","MoKα","","0.1647","0.0706","","","0.1209","0.1526","","","","","","1.002","","","","has coordinates","284258","2023-06-05","04:23:25",""
"7246754","7.0962","0.0013","8.306","0.002","12.12","0.003","103.74","0.02","99.82","0.018","105.63","0.02","646.9","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H17 N O5 -","- C13 H17 N O5 -","- C26 H34 N2 O10 -","2","1","","Zhou, Fuli; Body, Carole; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","On the pairwise cocrystallization of racemic compounds","CrystEngComm","2023","25","20","3060","3065","10.1039/D3CE00226H","","","0.71073","MoKα","","0.0715","0.059","","","0.1638","0.174","","","","","","1.068","","","","has coordinates,has disorder","284258","2023-06-05","04:23:25",""
"7246755","16.6605","0.0013","9.1572","0.0005","11.4407","0.0008","90","","109.81","0.008","90","","1642.1","0.2","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 Cl O3 -","- C8 H7 Cl O3 -","- C64 H56 Cl8 O24 -","8","2","","Zhou, Fuli; Body, Carole; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","On the pairwise cocrystallization of racemic compounds","CrystEngComm","2023","25","20","3060","3065","10.1039/D3CE00226H","","","0.71073","MoKα","","0.1053","0.0685","","","0.1778","0.1993","","","","","","1.062","","","","has coordinates,has disorder","284258","2023-06-05","04:23:25",""
"7246756","12.591","0.002","8.7414","0.0012","12.6758","0.0014","90","","104.824","0.014","90","","1348.7","0.3","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 F N O5 -","- C13 H16 F N O5 -","- C52 H64 F4 N4 O20 -","4","1","","Zhou, Fuli; Body, Carole; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","On the pairwise cocrystallization of racemic compounds","CrystEngComm","2023","25","20","3060","3065","10.1039/D3CE00226H","","","0.71073","MoKα","","0.07","0.0526","","","0.119","0.1267","","","","","","1.131","","","","has coordinates","284258","2023-06-05","04:23:25",""
"7246767","8.5539","0.0004","11.9045","0.0005","14.8119","0.0007","95.587","0.001","101.681","0.001","107.046","0.001","1392.25","0.11","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H28 Cu2 N6 O14 -","- C22 H28 Cu2 N6 O14 -","- C44 H56 Cu4 N12 O28 -","2","1","","Klongdee, Fatima; Chainok, Kittipong; Youngme, Sujittra; Boonmak, Jaursup","Variations in the structural composition of pyrazole-3,5-dicarboxylato Cu(ii) complexes with 1,2-di(4-pyridyl)ethane synthesized under different conditions","CrystEngComm","2023","25","25","3628","3636","10.1039/D3CE00384A","","","0.71073","MoKα","","0.0754","0.0512","","","0.1317","0.1456","","","","","","1.052","","","","has coordinates,has disorder","284919","2023-07-05","10:08:41",""
"7246768","9.2018","0.0007","10.6192","0.0006","12.7553","0.0009","90","","93.716","0.002","90","","1243.77","0.15","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Cu3 N6 O12 -","- C22 H22 Cu3 N6 O12 -","- C44 H44 Cu6 N12 O24 -","2","0.5","","Klongdee, Fatima; Chainok, Kittipong; Youngme, Sujittra; Boonmak, Jaursup","Variations in the structural composition of pyrazole-3,5-dicarboxylato Cu(ii) complexes with 1,2-di(4-pyridyl)ethane synthesized under different conditions","CrystEngComm","2023","25","25","3628","3636","10.1039/D3CE00384A","","","0.71073","MoKα","","0.0783","0.0427","","","0.0866","0.0984","","","","","","1.03","","","","has coordinates","284919","2023-07-05","10:08:44",""
"7246769","10.1143","0.001","11.1349","0.0011","14.8056","0.0016","107.017","0.004","109.383","0.004","93.002","0.003","1483.3","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H48 Cu4 N16 O28 -","- C54 H48 Cu4 N16 O28 -","- C54 H48 Cu4 N16 O28 -","1","0.5","","Klongdee, Fatima; Chainok, Kittipong; Youngme, Sujittra; Boonmak, Jaursup","Variations in the structural composition of pyrazole-3,5-dicarboxylato Cu(ii) complexes with 1,2-di(4-pyridyl)ethane synthesized under different conditions","CrystEngComm","2023","25","25","3628","3636","10.1039/D3CE00384A","","","0.71073","MoKα","","0.0647","0.0517","","","0.1376","0.1476","","","","","","1.017","","","","has coordinates","284919","2023-07-05","10:08:47",""
"7246770","7.5089","0.001","10.85","0.0012","26.819","0.004","90","","90.841","0.004","90","","2184.8","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Cu2 N6 O8 -","- C22 H16 Cu2 N6 O8 -","- C88 H64 Cu8 N24 O32 -","4","1","","Klongdee, Fatima; Chainok, Kittipong; Youngme, Sujittra; Boonmak, Jaursup","Variations in the structural composition of pyrazole-3,5-dicarboxylato Cu(ii) complexes with 1,2-di(4-pyridyl)ethane synthesized under different conditions","CrystEngComm","2023","25","25","3628","3636","10.1039/D3CE00384A","","","0.71073","MoKα","","0.1705","0.0744","","","0.1278","0.1598","","","","","","1.029","","","","has coordinates","284919","2023-07-05","10:08:50",""
"7246771","13.8496","0.0003","12.6696","0.0003","17.0775","0.0003","90","","96.397","0.001","90","","2977.91","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 Cu2 N6 O16 -","- C22 H32 Cu2 N6 O16 -","- C88 H128 Cu8 N24 O64 -","4","1","","Klongdee, Fatima; Chainok, Kittipong; Youngme, Sujittra; Boonmak, Jaursup","Variations in the structural composition of pyrazole-3,5-dicarboxylato Cu(ii) complexes with 1,2-di(4-pyridyl)ethane synthesized under different conditions","CrystEngComm","2023","25","25","3628","3636","10.1039/D3CE00384A","","","0.71073","MoKα","","0.0486","0.0342","","","0.0792","0.0861","","","","","","1.024","","","","has coordinates","284919","2023-07-05","10:08:50",""
"7246772","10.5315","0.0003","15.0888","0.0005","21.2924","0.0007","74.155","0.001","86.294","0.001","81.889","0.001","3221.19","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H67 Cu4 N17 O17 -","- C55 H67 Cu4 N17 O17 -","- C110 H134 Cu8 N34 O34 -","2","1","","Klongdee, Fatima; Chainok, Kittipong; Youngme, Sujittra; Boonmak, Jaursup","Variations in the structural composition of pyrazole-3,5-dicarboxylato Cu(ii) complexes with 1,2-di(4-pyridyl)ethane synthesized under different conditions","CrystEngComm","2023","25","25","3628","3636","10.1039/D3CE00384A","","","0.71073","MoKα","","0.1004","0.0629","","","0.1136","0.1271","","","","","","1.066","","","","has coordinates","284919","2023-07-05","10:08:50",""
"7246781","12.1553","0.0005","8.8076","0.0003","22.304","0.0007","90","","94.608","0.003","90","","2380.13","0.15","113.15","","113.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H28.33 N4 O8.16 -","- C23 H28.326 N4 O8.163 -","- C92 H113.304 N16 O32.652 -","4","1","","Hu, Xingchen; Xiao, Yuntian; Qi, Luguang; Bai, Yunhe; Sun, Ying; Ye, Yang; Xie, Chuang","Enhancing the dissolution and bacteriostatic activity of trimethoprim through salt formation","CrystEngComm","2023","25","23","3445","3459","10.1039/D3CE00128H","","","0.71073","MoKα","","0.0532","0.0425","","","0.1034","0.1115","","","","","","1.023","","","","has coordinates,has disorder","284924","2023-07-05","10:12:30",""
"7246782","7.0878","0.0006","7.5969","0.0007","18.9464","0.0014","91.152","0.007","98.566","0.007","103.763","0.008","978.19","0.15","113.15","","113.15","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H22 N6 O7 -","- C19 H22 N6 O7 -","- C38 H44 N12 O14 -","2","1","","Hu, Xingchen; Xiao, Yuntian; Qi, Luguang; Bai, Yunhe; Sun, Ying; Ye, Yang; Xie, Chuang","Enhancing the dissolution and bacteriostatic activity of trimethoprim through salt formation","CrystEngComm","2023","25","23","3445","3459","10.1039/D3CE00128H","","x-ray","0.71073","MoKα","","0.1172","0.0757","","","0.1892","0.2146","","","","","","1.055","","","","has coordinates","284924","2023-07-05","10:12:33",""
"7246783","7.0172","0.0003","28.2186","0.0013","10.7877","0.0005","90","","103.469","0.005","90","","2077.38","0.17","113.15","","113.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 N4 O7 -","- C21 H24 N4 O7 -","- C84 H96 N16 O28 -","4","1","","Hu, Xingchen; Xiao, Yuntian; Qi, Luguang; Bai, Yunhe; Sun, Ying; Ye, Yang; Xie, Chuang","Enhancing the dissolution and bacteriostatic activity of trimethoprim through salt formation","CrystEngComm","2023","25","23","3445","3459","10.1039/D3CE00128H","","","0.71073","MoKα","","0.1104","0.0659","","","0.1345","0.1671","","","","","","1.04","","","","has coordinates","284924","2023-07-05","10:12:35",""
"7246784","25.4626","0.0013","9.2831","0.0004","19.554","0.0011","90","","111.922","0.006","90","","4287.8","0.4","113.15","","113.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","TMP-26HBA","","- C21 H24 N4 O7 -","- C21 H24 N4 O7 -","- C168 H192 N32 O56 -","8","1","","Hu, Xingchen; Xiao, Yuntian; Qi, Luguang; Bai, Yunhe; Sun, Ying; Ye, Yang; Xie, Chuang","Enhancing the dissolution and bacteriostatic activity of trimethoprim through salt formation","CrystEngComm","2023","25","23","3445","3459","10.1039/D3CE00128H","","x-ray","0.71073","MoKα","","0.1035","0.0603","","","0.1291","0.1585","","","","","","1.059","","","","has coordinates","284924","2023-07-05","10:12:36",""
"7246785","11.2636","0.001","20.7045","0.0013","12.0759","0.0011","90","","117.535","0.011","90","","2497.2","0.4","113.15","","113.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","TMP-GA-2MeOH","","- C23 H32 N4 O10 -","- C23 H32 N4 O10 -","- C92 H128 N16 O40 -","4","1","","Hu, Xingchen; Xiao, Yuntian; Qi, Luguang; Bai, Yunhe; Sun, Ying; Ye, Yang; Xie, Chuang","Enhancing the dissolution and bacteriostatic activity of trimethoprim through salt formation","CrystEngComm","2023","25","23","3445","3459","10.1039/D3CE00128H","","x-ray","0.71073","MoKα","","0.0862","0.056","","","0.1255","0.1473","","","","","","1.054","","","","has coordinates","284924","2023-07-05","10:12:36",""
"7246786","12.2681","0.0013","34.536","0.004","9.8498","0.0013","90","","100.837","0.005","90","","4098.8","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Nilutamide Form IV","","","- C12 H10 F3 N3 O4 -","- C12 H10 F3 N3 O4 -","- C144 H120 F36 N36 O48 -","12","3","","Prashanth, Jupally; Surov, Artem O.; Drozd, Ksenia V.; Perlovich, German L.; Balasubramanian, Sridhar","Polymorphs, cocrystal and hydrate of nilutamide","CrystEngComm","2023","25","24","3501","3513","10.1039/D3CE00328K","","","0.71073","MoKα","","0.2044","0.0732","","","0.1279","0.175","","","","","","1.031","","","","has coordinates,has disorder","284913","2023-07-05","10:05:32",""
"7246787","7.1966","0.0005","16.2038","0.0012","22.6209","0.0015","90","","94.633","0.002","90","","2629.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Nilutamide- Form V","","","- C12 H10 F3 N3 O4 -","- C12 H10 F3 N3 O4 -","- C96 H80 F24 N24 O32 -","8","2","","Prashanth, Jupally; Surov, Artem O.; Drozd, Ksenia V.; Perlovich, German L.; Balasubramanian, Sridhar","Polymorphs, cocrystal and hydrate of nilutamide","CrystEngComm","2023","25","24","3501","3513","10.1039/D3CE00328K","","","0.71073","MoKα","","0.1122","0.044","","","0.0851","0.107","","","","","","1.001","","","","has coordinates","284913","2023-07-05","10:05:33",""
"7246788","10.2797","0.001","11.1802","0.0011","13.2382","0.0013","86.915","0.003","73.762","0.003","68.854","0.003","1360.5","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Nilutamide Hydrate (1:0.57)","","","- C12 H10.57 F3 N3 O4.29 -","- C12 H10.57 F3 N3 O4.285 -","- C48 H42.28 F12 N12 O17.14 -","4","2","","Prashanth, Jupally; Surov, Artem O.; Drozd, Ksenia V.; Perlovich, German L.; Balasubramanian, Sridhar","Polymorphs, cocrystal and hydrate of nilutamide","CrystEngComm","2023","25","24","3501","3513","10.1039/D3CE00328K","","","0.71073","MoKα","","0.0667","0.0395","","","0.0902","0.1021","","","","","","1.023","","","","has coordinates","284913","2023-07-05","10:05:33",""
"7246789","7.3886","0.0005","12.2118","0.0008","20.8355","0.0013","90","","98.845","0.003","90","","1857.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Nilutamide-Adenine cocrystal","","","- C17 H15 F3 N8 O4 -","- C17 H15 F3 N8 O4 -","- C68 H60 F12 N32 O16 -","4","1","","Prashanth, Jupally; Surov, Artem O.; Drozd, Ksenia V.; Perlovich, German L.; Balasubramanian, Sridhar","Polymorphs, cocrystal and hydrate of nilutamide","CrystEngComm","2023","25","24","3501","3513","10.1039/D3CE00328K","","","0.71073","MoKα","","0.0751","0.0704","","","0.1671","0.1691","","","","","","1.167","","","","has coordinates,has disorder","284913","2023-07-05","10:05:33",""
"7246797","20.777","0.003","10.2704","0.0015","16.306","0.002","90","","105.52","0.005","90","","3352.6","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 Co N2 O4 -","- C18 H12 Co N2 O4 -","- C144 H96 Co8 N16 O32 -","8","1","","Sethi, Tapaswini; Bhattacharya, Debarati; Das, Dinabandhu","Tuning of thermal expansion properties of a mixed-ligand MOF by ligand variation","CrystEngComm","2023","25","23","3356","3360","10.1039/D3CE00334E","","","0.71073","MoKα","","0.03","0.0251","","","0.0664","0.0704","","","","","","1.089","","","","has coordinates","284922","2023-07-05","10:10:20",""
"7246798","20.72","0.003","10.2647","0.0014","16.365","0.002","90","","105.495","0.005","90","","3354.1","0.8","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 Co N2 O4 -","- C18 H12 Co N2 O4 -","- C144 H96 Co8 N16 O32 -","8","1","","Sethi, Tapaswini; Bhattacharya, Debarati; Das, Dinabandhu","Tuning of thermal expansion properties of a mixed-ligand MOF by ligand variation","CrystEngComm","2023","25","23","3356","3360","10.1039/D3CE00334E","","","0.71073","MoKα","","0.0315","0.0256","","","0.0686","0.0735","","","","","","1.078","","","","has coordinates","284922","2023-07-05","10:10:22",""
"7246799","20.676","0.003","10.2639","0.0013","16.439","0.002","90","","105.457","0.004","90","","3362.4","0.8","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 Co N2 O4 -","- C18 H12 Co N2 O4 -","- C144 H96 Co8 N16 O32 -","8","1","","Sethi, Tapaswini; Bhattacharya, Debarati; Das, Dinabandhu","Tuning of thermal expansion properties of a mixed-ligand MOF by ligand variation","CrystEngComm","2023","25","23","3356","3360","10.1039/D3CE00334E","","","0.71073","MoKα","","0.0365","0.0293","","","0.0769","0.0831","","","","","","1.074","","","","has coordinates","284922","2023-07-05","10:10:41",""
"7246800","20.634","0.002","10.2655","0.0012","16.499","0.0019","90","","105.415","0.004","90","","3369.1","0.6","250","2","250","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 Co N2 O4 -","- C18 H12 Co N2 O4 -","- C144 H96 Co8 N16 O32 -","8","1","","Sethi, Tapaswini; Bhattacharya, Debarati; Das, Dinabandhu","Tuning of thermal expansion properties of a mixed-ligand MOF by ligand variation","CrystEngComm","2023","25","23","3356","3360","10.1039/D3CE00334E","","","0.71073","MoKα","","0.0494","0.0357","","","0.0917","0.1031","","","","","","1.07","","","","has coordinates,has disorder","284922","2023-07-05","10:10:44",""
"7246801","20.439","0.003","10.2687","0.0017","16.814","0.003","90","","105.349","0.006","90","","3403.1","1","396","2","400","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 Co N2 O4 -","- C18 H12 Co N2 O4 -","- C144 H96 Co8 N16 O32 -","8","1","","Sethi, Tapaswini; Bhattacharya, Debarati; Das, Dinabandhu","Tuning of thermal expansion properties of a mixed-ligand MOF by ligand variation","CrystEngComm","2023","25","23","3356","3360","10.1039/D3CE00334E","","","0.71073","MoKα","","0.0517","0.0296","","","0.0859","0.1023","","","","","","1.051","","","","has coordinates,has disorder","284922","2023-07-05","10:10:44",""
"7246802","20.376","0.003","10.2653","0.0014","16.928","0.002","90","","105.342","0.005","90","","3414.6","0.8","450","2","450","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 Co N2 O4 -","- C18 H12 Co N2 O4 -","- C144 H96 Co8 N16 O32 -","8","1","","Sethi, Tapaswini; Bhattacharya, Debarati; Das, Dinabandhu","Tuning of thermal expansion properties of a mixed-ligand MOF by ligand variation","CrystEngComm","2023","25","23","3356","3360","10.1039/D3CE00334E","","","0.71073","MoKα","","0.0664","0.0344","","","0.097","0.1194","","","","","","1.049","","","","has coordinates,has disorder","284922","2023-07-05","10:10:47",""
"7246803","20.504","0.003","10.2634","0.0013","16.711","0.002","90","","105.36","0.005","90","","3391.1","0.8","350","2","350","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 Co N2 O4 -","- C18.002 H12.002 Co N2 O4 -","- C144.016 H96.016 Co8 N16 O32 -","8","1","","Sethi, Tapaswini; Bhattacharya, Debarati; Das, Dinabandhu","Tuning of thermal expansion properties of a mixed-ligand MOF by ligand variation","CrystEngComm","2023","25","23","3356","3360","10.1039/D3CE00334E","","","0.71073","MoKα","","0.056","0.0317","","","0.0897","0.1079","","","","","","1.054","","","","has coordinates,has disorder","284922","2023-07-05","10:10:50",""
"7246804","20.57","0.002","10.2665","0.0012","16.5997","0.0018","90","","105.387","0.004","90","","3379.9","0.6","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 Co N2 O4 -","- C18.002 H12.002 Co N2 O4 -","- C144.016 H96.016 Co8 N16 O32 -","8","1","","Sethi, Tapaswini; Bhattacharya, Debarati; Das, Dinabandhu","Tuning of thermal expansion properties of a mixed-ligand MOF by ligand variation","CrystEngComm","2023","25","23","3356","3360","10.1039/D3CE00334E","","","0.71073","MoKα","","0.0561","0.0331","","","0.0943","0.1105","","","","","","1.087","","","","has coordinates,has disorder","284922","2023-07-05","10:10:53",""
"7246805","5.355","0.003","8.831","0.003","11.415","0.004","90","","90.79","0.03","90","","539.8","0.4","100","0.1","100","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C8 H11 B F4 N2 O2 -","- C8 H11 B F4 N2 O2 -","- C16 H22 B2 F8 N4 O4 -","2","1","","Wojtaś, Maciej; Bednarchuk, Tamara J.; Bdikin, Igor","New hybrid: [H-β-(4-pyridyl)-Ala-OH] tetrafluoroborate – crystal structure and strong piezoelectricity","CrystEngComm","2023","25","25","3609","3617","10.1039/D3CE00308F","","","0.71073","MoKα","","0.0504","0.0447","","","0.1118","0.1154","","","","","","1.052","","","","has coordinates","284920","2023-07-05","10:09:01",""
"7246806","7.7358","0.0005","14.8013","0.0009","20.4291","0.0012","104.624","0.005","95.034","0.005","94.905","0.005","2240.5","0.2","129","2","129","2","","","","","","","","5","P -1","-P 1","2","Name eingeben","EDOT-Amide-TPA","","- C50 H48 N4 O9 S2 -","- C50 H48 N4 O9 S2 -","- C100 H96 N8 O18 S4 -","2","1","","Wolf, Florian; Sirtl, Maximilian T.; Klenk, Sebastian; Wurzenberger, Maximilian H. H.; Armer, Melina; Dörflinger, Patrick; Ganswindt, Patrick; Guntermann, Roman; Dyakonov, Vladimir; Bein, Thomas","Behind the scenes: insights into the structural properties of amide-based hole-transporting materials for lead-free perovskite solar cells","CrystEngComm","2023","25","21","3142","3149","10.1039/D2CE01512A","","x-ray","0.71073","MoKα","","0.1323","0.0627","","","0.0921","0.1162","","","","","","0.992","","","","has coordinates","284275","2023-06-05","04:28:37",""
"7246816","10.8178","0.0003","10.8178","0.0003","33.0213","0.0013","90","","90","","120","","3346.59","0.19","250","0.3","250","0.3","","","","","","","","7","R -3 :H","-R 3","148","","","","- C24 H48 B2 F8 Fe0.65 N24 Ru0.35 -","- C24 H48 B2 F8 Fe0.65 N24 Ru0.35 -","- C72 H144 B6 F24 Fe1.95 N72 Ru1.05 -","3","0.166667","","Valverde-Muñoz, Francisco Javier; Torres Ramírez, Ricardo Guillermo; Ulhe, Abhilash; Trzop, Elzbieta; Dutta, Mousumi; Das, Chinmoy; Chakraborty, Pradip; Collet, Eric","Ferroelastic phase transition and the role of volume strain in the structural trapping of a metastable quenched low-spin high-symmetry phase in [Ru0.35Fe0.65(ptz)6](BF4)2","CrystEngComm","2023","25","25","3588","3597","10.1039/D3CE00365E","","x-ray","0.71073","MoKα","","0.0538","0.0484","","","0.1133","0.1166","","","","","","1.086","","","","has coordinates,has disorder","284916","2023-07-05","10:07:16",""
"7246817","10.7307","0.0002","10.7307","0.0002","31.9228","0.0009","90","","90","","120","","3183.37","0.12","80.4","0.12","80.4","0.12","","","","","","","","7","R -3 :H","-R 3","148","","","","- C24 H48 B2 F8 Fe0.65 N24 Ru0.35 -","- C24 H48 B2 F8 Fe0.65 N24 Ru0.35 -","- C72 H144 B6 F24 Fe1.95 N72 Ru1.05 -","3","0.166667","","Valverde-Muñoz, Francisco Javier; Torres Ramírez, Ricardo Guillermo; Ulhe, Abhilash; Trzop, Elzbieta; Dutta, Mousumi; Das, Chinmoy; Chakraborty, Pradip; Collet, Eric","Ferroelastic phase transition and the role of volume strain in the structural trapping of a metastable quenched low-spin high-symmetry phase in [Ru0.35Fe0.65(ptz)6](BF4)2","CrystEngComm","2023","25","25","3588","3597","10.1039/D3CE00365E","","x-ray","0.71073","MoKα","","0.0333","0.0302","","","0.0594","0.0604","","","","","","1.135","","","","has coordinates,has disorder","284916","2023-07-05","10:07:17",""
"7246818","11.7873","0.0013","10.8372","0.0006","21.595","0.003","90.927","0.007","131.808","0.015","89.563","0.007","2055.9","0.6","80.7","0.7","80.7","0.7","","","","","","","","7","P -1","-P 1","2","","","","- C24 H48 B2 F8 Fe0.65 N24 Ru0.35 -","- C24 H48 B2 F8 Fe0.65 N24 Ru0.35 -","- C48 H96 B4 F16 Fe1.3 N48 Ru0.7 -","2","1","","Valverde-Muñoz, Francisco Javier; Torres Ramírez, Ricardo Guillermo; Ulhe, Abhilash; Trzop, Elzbieta; Dutta, Mousumi; Das, Chinmoy; Chakraborty, Pradip; Collet, Eric","Ferroelastic phase transition and the role of volume strain in the structural trapping of a metastable quenched low-spin high-symmetry phase in [Ru0.35Fe0.65(ptz)6](BF4)2","CrystEngComm","2023","25","25","3588","3597","10.1039/D3CE00365E","","x-ray","0.71073","MoKα","","0.1539","0.0753","","","0.141","0.1617","","","","","","0.903","","","","has coordinates,has disorder","284916","2023-07-05","10:07:17",""
"7246819","21.411","0.002","16.5319","0.0015","13.6853","0.0013","90","","105.095","0.001","90","","4677","0.8","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H40 Cd3 N4 O31 -","- C36 H36 Cd3 N4 O31 -","- C144 H144 Cd12 N16 O124 -","4","0.5","","Ning, Shigang; Yan, Bingcheng; Wu, Junrong; Chen, Sen; Chen, Weipeng; Tian, Hongju; Zhang, Shaowei","A stable 2D luminescent metal–organic framework as a highly sensitive sensor for Fe3+ and Cr2O72−/CrO42− in water","CrystEngComm","2023","25","24","3539","3547","10.1039/D3CE00370A","","","0.71073","MoKα","","0.0575","0.0413","","","0.1013","0.1129","","","","","","1.026","","","","has coordinates","284912","2023-07-05","10:05:19",""
"7246822","11.5055","0.0003","11.9465","0.0003","11.9621","0.0003","63.454","0.001","78.323","0.001","62.154","0.001","1300.5","0.06","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H23 Br N2 O4 S2 -","- C30 H23 Br N2 O4 S2 -","- C60 H46 Br2 N4 O8 S4 -","2","1","","Lau, T. A.; Khorasani, S.; Fernandes, M. A.","Forced topochemistry of a solid-state Diels–Alder reaction by encapsulation in epoxy glue","CrystEngComm","2023","25","28","3988","3997","10.1039/D3CE00388D","","","0.71073","MoKα","","0.0687","0.0422","","","0.1081","0.1143","","","","","","0.963","","","","has coordinates,has disorder","286089","2023-09-05","19:35:58",""
"7246823","11.4616","0.0006","11.9174","0.0006","11.9565","0.0006","64.094","0.002","78.975","0.002","62.088","0.002","1297.97","0.12","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H23 Br N2 O4 S2 -","- C30 H23.0006 Br1.0006 N2 O4 S2 -","- C60 H46.0012 Br2.0012 N4 O8 S4 -","2","1","","Lau, T. A.; Khorasani, S.; Fernandes, M. A.","Forced topochemistry of a solid-state Diels–Alder reaction by encapsulation in epoxy glue","CrystEngComm","2023","25","28","3988","3997","10.1039/D3CE00388D","","","0.71073","MoKα","","0.0816","0.0693","","","0.1928","0.2008","","","","","","1.115","","","","has coordinates,has disorder","286089","2023-09-05","19:35:58",""
"7246824","20.1661","0.0011","11.754","0.0011","14.9001","0.0012","90","","131.943","0.005","90","","2627","0.4","173","","173","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H23 Br N2 O4 S2 -","- C30 H23 Br N2 O4 S2 -","- C120 H92 Br4 N8 O16 S8 -","4","0.5","","Lau, T. A.; Khorasani, S.; Fernandes, M. A.","Forced topochemistry of a solid-state Diels–Alder reaction by encapsulation in epoxy glue","CrystEngComm","2023","25","28","3988","3997","10.1039/D3CE00388D","","","0.71073","MoKα","","0.1315","0.1082","","","0.2874","0.3122","","","","","","1.122","","","","has coordinates,has disorder","286089","2023-09-05","19:35:58",""
"7246825","11.526","0.001","11.806","0.0011","12.2903","0.0011","63.453","0.004","78.22","0.004","61.19","0.003","1310.8","0.2","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H23 Br N2 O4 S2 -","- C30 H23.0003 Br1.0003 N2 O4 S2 -","- C60 H46.0006 Br2.0006 N4 O8 S4 -","2","1","","Lau, T. A.; Khorasani, S.; Fernandes, M. A.","Forced topochemistry of a solid-state Diels–Alder reaction by encapsulation in epoxy glue","CrystEngComm","2023","25","28","3988","3997","10.1039/D3CE00388D","","","0.71073","MoKα","","0.1635","0.1331","","","0.4123","0.4426","","","","","","1.913","","","","has coordinates,has disorder","286089","2023-09-05","19:35:58",""
"7246826","9.6809","0.0003","8.4899","0.0003","31.9397","0.001","90","","96.48","0.001","90","","2608.35","0.15","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H23 Br N2 O4 S2 -","- C30 H23 Br N2 O4 S2 -","- C120 H92 Br4 N8 O16 S8 -","4","1","","Lau, T. A.; Khorasani, S.; Fernandes, M. A.","Forced topochemistry of a solid-state Diels–Alder reaction by encapsulation in epoxy glue","CrystEngComm","2023","25","28","3988","3997","10.1039/D3CE00388D","","","0.71073","MoKα","","0.0325","0.0305","","","0.0754","0.0766","","","","","","1.053","","","","has coordinates,has disorder","286089","2023-09-05","19:35:58",""
"7246827","11.5018","0.0005","11.936","0.0005","11.9547","0.0005","63.482","0.001","78.39","0.002","62.15","0.001","1298.39","0.1","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H23 Br N2 O4 S2 -","- C30 H23 Br N2 O4 S2 -","- C60 H46 Br2 N4 O8 S4 -","2","1","","Lau, T. A.; Khorasani, S.; Fernandes, M. A.","Forced topochemistry of a solid-state Diels–Alder reaction by encapsulation in epoxy glue","CrystEngComm","2023","25","28","3988","3997","10.1039/D3CE00388D","","","0.71073","MoKα","","0.0446","0.0387","","","0.1104","0.1143","","","","","","1.114","","","","has coordinates,has disorder","286089","2023-09-05","19:35:59",""
"7246828","14.1064","0.0007","23.6828","0.0012","17.4985","0.0009","90","","90","","90","","5845.9","0.5","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C90 H126 N8 O25 -","- C90 H126 N8 O25 -","- C180 H252 N16 O50 -","2","1","","Xu, Yiming; Chen, Kui; Ju, Xiang; Wu, Bin; Li, Xiaoting; Ji, Lijun; Wu, Yanyang","The effect of solvent–crystal interaction on the morphology of a solvate of rifampicin","CrystEngComm","2023","25","25","3662","3673","10.1039/D3CE00300K","","","1.54178","CuKα","","0.0492","0.0462","","","0.1324","0.1363","","","","","","1.052","","","","has coordinates","284918","2023-07-05","10:08:18",""
"7246836","14.3393","0.0003","13.6235","0.0003","18.0779","0.0004","90","","105.504","0.002","90","","3403.04","0.13","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H69 N31 Nd2 O49 -","- C36 H68 N31 Nd2 O49 -","- C72 H136 N62 Nd4 O98 -","2","0.5","","Andrienko, Irina V.; Rakhmanova, Mariana I.; Samsonenko, Denis G.; Kovalenko, Ekaterina A.","Supramolecular lanthanide assemblies with cucurbit[6]uril: from synthesis and crystal structure to application","CrystEngComm","2023","25","23","3460","3471","10.1039/D3CE00301A","","x-ray","0.71073","MoKα","","0.0267","0.0228","","","0.0521","0.0535","","","","","","1.049","","","","has coordinates,has disorder","284923","2023-07-05","10:11:52",""
"7246837","14.3566","0.0004","13.5936","0.0004","18.0138","0.0005","90","","105.343","0.003","90","","3390.24","0.17","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H69 N31 O49 Sm2 -","- C36 H68 N31 O49 Sm2 -","- C72 H136 N62 O98 Sm4 -","2","0.5","","Andrienko, Irina V.; Rakhmanova, Mariana I.; Samsonenko, Denis G.; Kovalenko, Ekaterina A.","Supramolecular lanthanide assemblies with cucurbit[6]uril: from synthesis and crystal structure to application","CrystEngComm","2023","25","23","3460","3471","10.1039/D3CE00301A","","x-ray","0.71073","MoKα","","0.03","0.0247","","","0.0569","0.0591","","","","","","1.051","","","","has coordinates,has disorder","284923","2023-07-05","10:11:55",""
"7246838","14.36","0.002","13.586","0.003","17.933","0.003","90","","105.395","0.002","90","","3373.1","1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H69 Gd2 N31 O49 -","- C36 H68 Gd2 N31 O49 -","- C72 H136 Gd4 N62 O98 -","2","0.5","","Andrienko, Irina V.; Rakhmanova, Mariana I.; Samsonenko, Denis G.; Kovalenko, Ekaterina A.","Supramolecular lanthanide assemblies with cucurbit[6]uril: from synthesis and crystal structure to application","CrystEngComm","2023","25","23","3460","3471","10.1039/D3CE00301A","","","0.745","synchrotron","","0.032","0.0312","","","0.08","0.0806","","","","","","1.042","","","","has coordinates,has disorder","284923","2023-07-05","10:11:58",""
"7246839","25.7641","0.0004","25.7641","0.0004","31.6786","0.0006","90","","90","","120","","18210.7","0.5","130","2","130","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C36 H92 Dy2 N32 O63 -","- C36 H36 Dy2 N32 O62.9998 -","- C324 H324 Dy18 N288 O566.998 -","9","0.5","","Andrienko, Irina V.; Rakhmanova, Mariana I.; Samsonenko, Denis G.; Kovalenko, Ekaterina A.","Supramolecular lanthanide assemblies with cucurbit[6]uril: from synthesis and crystal structure to application","CrystEngComm","2023","25","23","3460","3471","10.1039/D3CE00301A","","x-ray","0.71073","MoKα","","0.0331","0.0303","","","0.0874","0.0891","","","","","","1.068","","","","has coordinates,has disorder","284923","2023-07-05","10:12:01",""
"7246840","13.42009","0.00018","14.43599","0.00018","18.2561","0.0002","73.8067","0.0011","87.3433","0.0011","87.7224","0.0011","3391.5","0.07","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H69 Eu2 N31 O49 -","- C36 H69 Eu2 N31 O49 -","- C72 H138 Eu4 N62 O98 -","2","1","","Andrienko, Irina V.; Rakhmanova, Mariana I.; Samsonenko, Denis G.; Kovalenko, Ekaterina A.","Supramolecular lanthanide assemblies with cucurbit[6]uril: from synthesis and crystal structure to application","CrystEngComm","2023","25","23","3460","3471","10.1039/D3CE00301A","","x-ray","0.71073","MoKα","","0.0302","0.0248","","","0.0549","0.0564","","","","","","1.083","","","","has coordinates,has disorder","284923","2023-07-05","10:12:04",""
"7246841","13.386","0.003","14.4235","0.0013","18.1775","0.0013","73.769","0.002","87.34","0.004","87.608","0.005","3364.6","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H69 N31 O49 Tb2 -","- C36 H69 N31 O49 Tb2 -","- C72 H138 N62 O98 Tb4 -","2","1","","Andrienko, Irina V.; Rakhmanova, Mariana I.; Samsonenko, Denis G.; Kovalenko, Ekaterina A.","Supramolecular lanthanide assemblies with cucurbit[6]uril: from synthesis and crystal structure to application","CrystEngComm","2023","25","23","3460","3471","10.1039/D3CE00301A","","","0.745","synchrotron","","0.0387","0.0363","","","0.0994","0.1011","","","","","","1.067","","","","has coordinates,has disorder","284923","2023-07-05","10:12:04",""
"7246842","25.8081","0.0006","25.8081","0.0006","31.7446","0.0009","90","","90","","120","","18311","0.8","130","2","130","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C36 H92 Er2 N32 O63 -","- C36 H36 Er2 N32 O62.9998 -","- C324 H324 Er18 N288 O566.998 -","9","0.5","","Andrienko, Irina V.; Rakhmanova, Mariana I.; Samsonenko, Denis G.; Kovalenko, Ekaterina A.","Supramolecular lanthanide assemblies with cucurbit[6]uril: from synthesis and crystal structure to application","CrystEngComm","2023","25","23","3460","3471","10.1039/D3CE00301A","","x-ray","0.71073","MoKα","","0.0266","0.0254","","","0.0695","0.0704","","","","","","1.062","","","","has coordinates,has disorder","284923","2023-07-05","10:12:04",""
"7246843","25.8703","0.0006","25.8703","0.0006","31.8766","0.0008","90","","90","","120","","18475.9","0.8","170","2","170","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C36 H92 Ho2 N32 O63 -","- C36 H36 Ho2 N32 O62.9978 -","- C324 H324 Ho18 N288 O566.98 -","9","0.5","","Andrienko, Irina V.; Rakhmanova, Mariana I.; Samsonenko, Denis G.; Kovalenko, Ekaterina A.","Supramolecular lanthanide assemblies with cucurbit[6]uril: from synthesis and crystal structure to application","CrystEngComm","2023","25","23","3460","3471","10.1039/D3CE00301A","","x-ray","0.71073","MoKα","","0.0346","0.0299","","","0.0858","0.0882","","","","","","1.058","","","","has coordinates,has disorder","284923","2023-07-05","10:12:04",""
"7246844","25.7946","0.0004","25.7946","0.0004","31.7638","0.0006","90","","90","","120","","18302.9","0.5","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C36 H92 N32 O63 Yb2 -","- C36 H36 N32 O63.0018 Yb2 -","- C324 H324 N288 O567.016 Yb18 -","9","0.5","","Andrienko, Irina V.; Rakhmanova, Mariana I.; Samsonenko, Denis G.; Kovalenko, Ekaterina A.","Supramolecular lanthanide assemblies with cucurbit[6]uril: from synthesis and crystal structure to application","CrystEngComm","2023","25","23","3460","3471","10.1039/D3CE00301A","","","0.71073","MoKα","","0.0455","0.0334","","","0.0923","0.0963","","","","","","1.083","","","","has coordinates,has disorder","284923","2023-07-05","10:12:04",""
"7246861","11.1702","0.0001","12.6477","0.0001","23.5283","0.0003","90","","92.215","0.001","90","","3321.53","0.06","150","0.5","150","0.5","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H40 Cl2 Fe I N4 O2 -","- C33 H40 Cl2 Fe I N4 O2 -","- C132 H160 Cl8 Fe4 I4 N16 O8 -","4","1","","Boonprab, Theerapoom; Habarakada, Upeksha; Chastanet, Guillaume; Harding, Phimphaka; Harding, David J.","Light and thermally activated spin crossover coupled to an order–disorder transition of a propyl chain in an iron(iii) complex","CrystEngComm","2023","25","29","4126","4132","10.1039/D3CE00425B","","","1.54184","CuKα","","0.0592","0.0552","","","0.1516","0.1554","","","","","","1.068","","","","has coordinates","286084","2023-09-05","19:33:50",""
"7246862","11.387","0.0001","12.606","0.0001","23.8251","0.0002","90","","90.177","0.001","90","","3419.95","0.05","200","0.5","200","0.5","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H40 Cl2 Fe I N4 O2 -","- C33 H40 Cl2 Fe I N4 O2 -","- C132 H160 Cl8 Fe4 I4 N16 O8 -","4","1","","Boonprab, Theerapoom; Habarakada, Upeksha; Chastanet, Guillaume; Harding, Phimphaka; Harding, David J.","Light and thermally activated spin crossover coupled to an order–disorder transition of a propyl chain in an iron(iii) complex","CrystEngComm","2023","25","29","4126","4132","10.1039/D3CE00425B","","","1.54184","CuKα","","0.0584","0.0529","","","0.1417","0.1456","","","","","","1.116","","","","has coordinates,has disorder","286084","2023-09-05","19:33:51",""
"7246863","11.47081","0.00014","12.93413","0.00016","23.8498","0.0003","90","","92.8489","0.0011","90","","3534.1","0.08","200","0.5","200","0.5","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H39 Cl3 Fe I N4 O2 -","- C33 H39 Cl3 Fe I N4 O2 -","- C132 H156 Cl12 Fe4 I4 N16 O8 -","4","1","","Boonprab, Theerapoom; Habarakada, Upeksha; Chastanet, Guillaume; Harding, Phimphaka; Harding, David J.","Light and thermally activated spin crossover coupled to an order–disorder transition of a propyl chain in an iron(iii) complex","CrystEngComm","2023","25","29","4126","4132","10.1039/D3CE00425B","","","1.54184","CuKα","","0.0573","0.0528","","","0.1453","0.1499","","","","","","1.09","","","","has coordinates,has disorder","286084","2023-09-05","19:33:51",""
"7246864","11.2214","0.0001","12.689","0.0001","23.7424","0.0002","90","","90.033","0.001","90","","3380.64","0.05","150","0.5","150","0.5","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H44 Fe I N4 O3 -","- C35 H44 Fe I N4 O3 -","- C140 H176 Fe4 I4 N16 O12 -","4","1","","Boonprab, Theerapoom; Habarakada, Upeksha; Chastanet, Guillaume; Harding, Phimphaka; Harding, David J.","Light and thermally activated spin crossover coupled to an order–disorder transition of a propyl chain in an iron(iii) complex","CrystEngComm","2023","25","29","4126","4132","10.1039/D3CE00425B","","x-ray","1.54184","CuKα","","0.0474","0.0447","","","0.1203","0.1221","","","","","","1.093","","","","has coordinates","286084","2023-09-05","19:33:51",""
"7246865","11.37248","0.00011","13.01255","0.00013","23.3736","0.0002","90","","93.9098","0.0008","90","","3450.89","0.06","130","0.5","130","0.5","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H39 Cl3 Fe I N4 O2 -","- C33 H39 Cl3 Fe I N4 O2 -","- C132 H156 Cl12 Fe4 I4 N16 O8 -","4","1","","Boonprab, Theerapoom; Habarakada, Upeksha; Chastanet, Guillaume; Harding, Phimphaka; Harding, David J.","Light and thermally activated spin crossover coupled to an order–disorder transition of a propyl chain in an iron(iii) complex","CrystEngComm","2023","25","29","4126","4132","10.1039/D3CE00425B","","x-ray","1.54184","CuKα","","0.0566","0.054","","","0.1429","0.1458","","","","","","1.04","","","","has coordinates","286084","2023-09-05","19:33:51",""
"7246866","11.38862","0.00017","13.0145","0.0002","23.4046","0.0004","90","","93.6869","0.0014","90","","3461.78","0.1","150","0.5","150","0.5","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H39 Cl3 Fe I N4 O2 -","- C33 H39 Cl3 Fe I N4 O2 -","- C132 H156 Cl12 Fe4 I4 N16 O8 -","4","1","","Boonprab, Theerapoom; Habarakada, Upeksha; Chastanet, Guillaume; Harding, Phimphaka; Harding, David J.","Light and thermally activated spin crossover coupled to an order–disorder transition of a propyl chain in an iron(iii) complex","CrystEngComm","2023","25","29","4126","4132","10.1039/D3CE00425B","","x-ray","1.54184","CuKα","","0.0701","0.0663","","","0.1849","0.189","","","","","","1.056","","","","has coordinates","286084","2023-09-05","19:33:51",""
"7246867","11.54644","0.00013","13.04848","0.00016","23.9438","0.0003","90","","93.0092","0.001","90","","3602.48","0.08","295.9","","295.9","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H39 Cl3 Fe I N4 O2 -","- C33 H39 Cl3 Fe I N4 O2 -","- C132 H156 Cl12 Fe4 I4 N16 O8 -","4","1","","Boonprab, Theerapoom; Habarakada, Upeksha; Chastanet, Guillaume; Harding, Phimphaka; Harding, David J.","Light and thermally activated spin crossover coupled to an order–disorder transition of a propyl chain in an iron(iii) complex","CrystEngComm","2023","25","29","4126","4132","10.1039/D3CE00425B","","x-ray","1.54184","CuKα","","0.064","0.0552","","","0.1551","0.1632","","","","","","1.0275","","","","has coordinates,has disorder","286084","2023-09-05","19:33:51",""
"7246868","7.3227","0.0009","8.995","0.0014","15.321","0.002","90","","103.442","0.006","90","","981.5","0.2","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 Cl N3 Se -","- C8 H10 Cl N3 Se -","- C32 H40 Cl4 N12 Se4 -","4","1","","Artemjev, Alexey A.; Kubasov, Alexey S.; Kuznetsov, Maxim L.; Grudova, Mariya V.; Khrustalev, Victor N.; Kritchenkov, Andreii S.; Tskhovrebov, Alexander G.","Mechanistic investigation of 1,3-dipolar cycloaddition between bifunctional 2-pyridylselenyl reagents and nitriles including reactions with cyanamides","CrystEngComm","2023","25","25","3691","3701","10.1039/D3CE00385J","","","0.71073","MoKα","","0.0294","0.0265","","","0.0648","0.0689","","","","","","1.241","","","","has coordinates","284917","2023-07-05","10:07:32",""
"7246869","7.8986","0.0015","14.662","0.004","9.851","0.004","90","","111.161","0.015","90","","1063.9","0.6","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H10 Cl N5 O Se -","- C7 H10 Cl N5 O Se -","- C28 H40 Cl4 N20 O4 Se4 -","4","1","","Artemjev, Alexey A.; Kubasov, Alexey S.; Kuznetsov, Maxim L.; Grudova, Mariya V.; Khrustalev, Victor N.; Kritchenkov, Andreii S.; Tskhovrebov, Alexander G.","Mechanistic investigation of 1,3-dipolar cycloaddition between bifunctional 2-pyridylselenyl reagents and nitriles including reactions with cyanamides","CrystEngComm","2023","25","25","3691","3701","10.1039/D3CE00385J","","","0.71073","MoKα","","0.0455","0.0387","","","0.1028","0.1063","","","","","","1.053","","","","has coordinates","284917","2023-07-05","10:07:43",""
"7246870","6.9994","0.001","8.8877","0.001","20.694","0.005","90","","90","","90","","1287.3","0.4","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H12 Cl N3 O Se -","- C13 H12 Cl N3 O Se -","- C52 H48 Cl4 N12 O4 Se4 -","4","1","","Artemjev, Alexey A.; Kubasov, Alexey S.; Kuznetsov, Maxim L.; Grudova, Mariya V.; Khrustalev, Victor N.; Kritchenkov, Andreii S.; Tskhovrebov, Alexander G.","Mechanistic investigation of 1,3-dipolar cycloaddition between bifunctional 2-pyridylselenyl reagents and nitriles including reactions with cyanamides","CrystEngComm","2023","25","25","3691","3701","10.1039/D3CE00385J","","","0.71073","MoKα","","0.0383","0.0334","","","0.0836","0.0858","","","","","","1.015","","","","has coordinates","284917","2023-07-05","10:07:47",""
"7246871","5.3306","0.0007","14.043","0.004","16.798","0.002","90","","93.025","0.004","90","","1255.7","0.4","100","","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H14 Cl N3 O2 Se -","- C10 H14 Cl N3 O2 Se -","- C40 H56 Cl4 N12 O8 Se4 -","4","1","","Artemjev, Alexey A.; Kubasov, Alexey S.; Kuznetsov, Maxim L.; Grudova, Mariya V.; Khrustalev, Victor N.; Kritchenkov, Andreii S.; Tskhovrebov, Alexander G.","Mechanistic investigation of 1,3-dipolar cycloaddition between bifunctional 2-pyridylselenyl reagents and nitriles including reactions with cyanamides","CrystEngComm","2023","25","25","3691","3701","10.1039/D3CE00385J","","","0.71073","MoKα","","0.0396","0.0286","","","0.0576","0.0609","","","","","","1.025","","","","has coordinates","284917","2023-07-05","10:07:58",""
"7246872","11.922","0.004","6.546","0.003","14.62","0.005","90","","108.226","0.016","90","","1083.7","0.7","100","","100","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C9 H11 Cl N4 Se -","- C9 H11 Cl N4 Se -","- C36 H44 Cl4 N16 Se4 -","4","1","","Artemjev, Alexey A.; Kubasov, Alexey S.; Kuznetsov, Maxim L.; Grudova, Mariya V.; Khrustalev, Victor N.; Kritchenkov, Andreii S.; Tskhovrebov, Alexander G.","Mechanistic investigation of 1,3-dipolar cycloaddition between bifunctional 2-pyridylselenyl reagents and nitriles including reactions with cyanamides","CrystEngComm","2023","25","25","3691","3701","10.1039/D3CE00385J","","","0.71073","MoKα","","0.0481","0.0338","","","0.0786","0.0888","","","","","","1.027","","","","has coordinates","284917","2023-07-05","10:08:02",""
"7246873","6.8384","0.0015","9.403","0.002","10.236","0.002","67.561","0.009","74.848","0.01","70.534","0.011","566.7","0.2","100","","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H10 Cl N3 O4 Se -","- C8 H10 Cl N3 O4 Se -","- C16 H20 Cl2 N6 O8 Se2 -","2","1","","Artemjev, Alexey A.; Kubasov, Alexey S.; Kuznetsov, Maxim L.; Grudova, Mariya V.; Khrustalev, Victor N.; Kritchenkov, Andreii S.; Tskhovrebov, Alexander G.","Mechanistic investigation of 1,3-dipolar cycloaddition between bifunctional 2-pyridylselenyl reagents and nitriles including reactions with cyanamides","CrystEngComm","2023","25","25","3691","3701","10.1039/D3CE00385J","","","0.71073","MoKα","","0.0232","0.0212","","","0.0497","0.0504","","","","","","1.053","","","","has coordinates","284917","2023-07-05","10:08:05",""
"7246874","7.811","0.004","7.811","","23.699","0.008","90","","90","","90","","1445.9","0.9","300","","300","2","","","","","","","","5","P 41","P 4w","76","","","","- C16 H12 Cl N3 Se -","- C16 H12 Cl N3 Se -","- C64 H48 Cl4 N12 Se4 -","4","1","","Artemjev, Alexey A.; Kubasov, Alexey S.; Kuznetsov, Maxim L.; Grudova, Mariya V.; Khrustalev, Victor N.; Kritchenkov, Andreii S.; Tskhovrebov, Alexander G.","Mechanistic investigation of 1,3-dipolar cycloaddition between bifunctional 2-pyridylselenyl reagents and nitriles including reactions with cyanamides","CrystEngComm","2023","25","25","3691","3701","10.1039/D3CE00385J","","","0.71073","MoKα","","0.0348","0.0331","","","0.0858","0.0866","","","","","","1.114","","","","has coordinates","284917","2023-07-05","10:08:05",""
"7246875","15.3881","0.0006","9.8662","0.0003","18.2499","0.0008","90","","105.566","0.001","90","","2669.11","0.18","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 B N3 Se -","- C32 H30 B N3 Se -","- C128 H120 B4 N12 Se4 -","4","1","","Artemjev, Alexey A.; Kubasov, Alexey S.; Kuznetsov, Maxim L.; Grudova, Mariya V.; Khrustalev, Victor N.; Kritchenkov, Andreii S.; Tskhovrebov, Alexander G.","Mechanistic investigation of 1,3-dipolar cycloaddition between bifunctional 2-pyridylselenyl reagents and nitriles including reactions with cyanamides","CrystEngComm","2023","25","25","3691","3701","10.1039/D3CE00385J","","","0.71073","MoKα","","0.061","0.048","","","0.123","0.1296","","","","","","1.049","","","","has coordinates","284917","2023-07-05","10:08:05",""
"7246878","9.8173","0.0004","12.9566","0.0006","14.7156","0.0004","90","","101.124","0.002","90","","1836.64","0.12","170","2","170","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 Ag B F4 N4 O4 -","- C18 H12 Ag B F4 N4 O4 -","- C72 H48 Ag4 B4 F16 N16 O16 -","4","0.5","","Yousri, Amal; Haukka, Matti; Abu-Youssef, Morsy A. M.; Salah Ayoup, Mohammed; Ismail, Magda M. F.; El Menofy, Nagwan G.; Soliman, Saied M.; Barakat, Assem; Amombo Noa, Francoise M.; Öhrström, Lars","Synthesis, structure diversity, and antimicrobial studies of Ag(i) complexes with quinoline-type ligands","CrystEngComm","2023","25","27","3922","3930","10.1039/D3CE00417A","","","0.71073","MoKα","","0.035","0.0295","","","0.0671","0.0697","","","","","","1.115","","","","has coordinates","286095","2023-09-05","19:37:04",""
"7246879","10.048","0.0002","16.8535","0.0002","14.5843","0.0002","90","","98.505","0.002","90","","2442.6","0.07","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Ag B F4 N2 O -","- C10 H8 Ag B F4 N2 O -","- C80 H64 Ag8 B8 F32 N16 O8 -","8","1","","Yousri, Amal; Haukka, Matti; Abu-Youssef, Morsy A. M.; Salah Ayoup, Mohammed; Ismail, Magda M. F.; El Menofy, Nagwan G.; Soliman, Saied M.; Barakat, Assem; Amombo Noa, Francoise M.; Öhrström, Lars","Synthesis, structure diversity, and antimicrobial studies of Ag(i) complexes with quinoline-type ligands","CrystEngComm","2023","25","27","3922","3930","10.1039/D3CE00417A","","x-ray","1.54184","CuKα","","0.0508","0.0462","","","0.1285","0.1329","","","","","","1.072","","","","has coordinates","286095","2023-09-05","19:37:05",""
"7246880","7.5657","0.0015","11.619","0.002","25.402","0.005","90","","90","","90","","2233","0.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H14 N2 O2 -","- C12 H14 N2 O2 -","- C96 H112 N16 O16 -","8","1","","Lazić, Anita; Radovanović, Lidija; Rogan, Jelena; Valentić, Nataša; Janjić, Goran; Đorđević, Ivana; Trišović, Nemanja","Exploring the supramolecular profile of 5-phenylhydantoins","CrystEngComm","2023","25","25","3637","3654","10.1039/D3CE00213F","","","0.71073","MoKα","","0.0431","0.0404","","","0.1049","0.1072","","","","","","1.084","","","","has coordinates","284579","2023-06-29","09:55:10",""
"7246881","7.3489","0.0015","14.605","0.003","19.983","0.004","90","","90","","90","","2144.8","0.8","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H12 N2 O2 -","- C11 H12 N2 O2 -","- C88 H96 N16 O16 -","8","1","","Lazić, Anita; Radovanović, Lidija; Rogan, Jelena; Valentić, Nataša; Janjić, Goran; Đorđević, Ivana; Trišović, Nemanja","Exploring the supramolecular profile of 5-phenylhydantoins","CrystEngComm","2023","25","25","3637","3654","10.1039/D3CE00213F","","","0.71073","MoKα","","0.0599","0.0416","","","0.0986","0.109","","","","","","1.05","","","","has coordinates","284579","2023-06-29","09:55:10",""
"7246882","6.2259","0.0012","7.1884","0.0014","23.607","0.005","90","","90","","90","","1056.5","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 N2 O3 -","- C11 H12 N2 O3 -","- C44 H48 N8 O12 -","4","1","","Lazić, Anita; Radovanović, Lidija; Rogan, Jelena; Valentić, Nataša; Janjić, Goran; Đorđević, Ivana; Trišović, Nemanja","Exploring the supramolecular profile of 5-phenylhydantoins","CrystEngComm","2023","25","25","3637","3654","10.1039/D3CE00213F","","","0.71073","MoKα","","0.0376","0.0328","","","0.0752","0.0774","","","","","","1.062","","","","has coordinates","284579","2023-06-29","09:55:10",""
"7246883","6.8817","0.0014","8.3267","0.0017","10.789","0.002","83.96","0.03","76.71","0.03","70.02","0.03","565.2","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H11 N3 O5 -","- C10 H11 N3 O5 -","- C20 H22 N6 O10 -","2","1","","Lazić, Anita; Radovanović, Lidija; Rogan, Jelena; Valentić, Nataša; Janjić, Goran; Đorđević, Ivana; Trišović, Nemanja","Exploring the supramolecular profile of 5-phenylhydantoins","CrystEngComm","2023","25","25","3637","3654","10.1039/D3CE00213F","","","0.71073","MoKα","","0.0592","0.0432","","","0.0978","0.1058","","","","","","1.031","","","","has coordinates","284579","2023-06-29","09:55:10",""
"7246884","10.812","0.002","18.958","0.004","7.114","0.0014","90","","116.03","0.03","90","","1310.3","0.6","220","2","220","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C56 H72 Co4 N8 O20 -","4","0.5","","Muthukumar, Pandi; Arunkumar, Gunasekaran; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Water coordinated Co-MOFs with 1D/2D network structure and highly enhanced electrocatalytic OER activity","CrystEngComm","2023","25","28","4058","4063","10.1039/D3CE00393K","","","0.63","synchrotron","","0.0518","0.0506","","","0.1546","0.1556","","","","","","1.188","","","","has coordinates","286088","2023-09-05","19:35:42",""
"7246885","9.655","0.0019","16.355","0.003","11.069","0.002","90","","110.97","0.03","90","","1632.1","0.6","220","2","220","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 Co N2 O5 -","- C18 H14 Co N2 O5 -","- C72 H56 Co4 N8 O20 -","4","1","","Muthukumar, Pandi; Arunkumar, Gunasekaran; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Water coordinated Co-MOFs with 1D/2D network structure and highly enhanced electrocatalytic OER activity","CrystEngComm","2023","25","28","4058","4063","10.1039/D3CE00393K","","","0.63","synchrotron","","0.0529","0.0491","","","0.1533","0.1563","","","","","","1.191","","","","has coordinates","286088","2023-09-05","19:35:43",""
"7246886","12.0754","0.0003","10.5591","0.0003","8.8651","0.0003","90","","90","","90","","1130.35","0.06","150","2","150","2","","","","","","","","2","P c a 21","P 2c -2ac","29","","","","- C6 N16 -","- C6 N16 -","- C24 N64 -","4","1","","Leškovskis, Kristaps; Mishnev, Anatoly; Novosjolova, Irina; Krumm, Burkhard; Klapötke, Thomas M.; Turks, Māris","2,4,6,8-Tetraazidopyrimido[5,4-d]pyrimidine: a novel energetic binary compound","CrystEngComm","2023","25","27","3866","3869","10.1039/D3CE00563A","","","1.54184","CuKα","","0.0444","0.0409","","","0.0991","0.1015","","","","","","1.064","","","","has coordinates","286094","2023-09-05","19:36:53",""
"7246887","17.0985","0.0006","17.0985","0.0006","42.1074","0.0017","90","","90","","90","","12310.5","0.8","200","2","200","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C26 H28 Cl2 Co N4 -","- C26 H28 Cl2 Co N4 -","- C416 H448 Cl32 Co16 N64 -","16","1","","Tella, Adedibu C.; Owalude, Samson O.; Ameen, Olanrewaju A.; Clayton, Hadley S.; Yusuph, Quadrat; Dembaremba, Tendai O.; Hosten, Eric C.; Ogunlaja, Adeniyi S.","Synthesis, crystal structures and DFT studies of Co(ii) and Zn(ii) coordination polymers of terephthalate and 4,4′-trimethylenedipyridyl ligands for removal of dibenzothiophene from a model fuel oil","CrystEngComm","2023","25","28","3998","4010","10.1039/D3CE00236E","","","0.71073","MoKα","","0.0979","0.0725","","","0.2139","0.2397","","","","","","1.061","","","","has coordinates","286086","2023-09-05","19:35:15",""
"7246888","21.0837","0.0009","11.4677","0.0005","19.6425","0.0013","90","","119.297","0.002","90","","4141.7","0.4","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H42 N4 O11 Zn2 -","- C42 H42 N4 O11 Zn2 -","- C168 H168 N16 O44 Zn8 -","4","0.5","","Tella, Adedibu C.; Owalude, Samson O.; Ameen, Olanrewaju A.; Clayton, Hadley S.; Yusuph, Quadrat; Dembaremba, Tendai O.; Hosten, Eric C.; Ogunlaja, Adeniyi S.","Synthesis, crystal structures and DFT studies of Co(ii) and Zn(ii) coordination polymers of terephthalate and 4,4′-trimethylenedipyridyl ligands for removal of dibenzothiophene from a model fuel oil","CrystEngComm","2023","25","28","3998","4010","10.1039/D3CE00236E","","","0.71073","MoKα","","0.0445","0.0382","","","0.0962","0.1002","","","","","","1.06","","","","has coordinates,has disorder","286086","2023-09-05","19:35:26",""
"7246889","7.1842","0.0003","14.4765","0.0005","15.9555","0.0004","68.871","0.003","78.281","0.003","79.368","0.003","1504.29","0.1","297.24","0.1","297.24","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C28 H29 Cl N10 O7 -","- C28 H29 Cl N10 O7 -","- C56 H58 Cl2 N20 O14 -","2","1","","Wang, Zhi-Qing; Dai, Xia-Lin; Gu, Dai-Lin; Wu, Chao; Lu, Tong-Bu; Long, Xiang-Tian; Chen, Jia-Mei","Cocrystallization of lenvatinib and temozolomide to improve the performance in terms of stability, dissolution, and tabletability","CrystEngComm","2023","25","29","4189","4198","10.1039/D3CE00473B","","","1.54184","CuKα","","0.0707","0.05","","","0.1317","0.1482","","","","","","1.099","","","","has coordinates,has disorder","286079","2023-09-05","19:31:54",""
"7246890","12.0309","0.0008","13.9974","0.0009","14.7291","0.0009","103.276","0.001","106.729","0.001","110.009","0.001","2078.4","0.2","273.15","","273.15","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H40 Mn3 Mo12 N8 O66 P8 -","- C24 H40 Mn3 Mo12 N8 O66 P8 -","- C24 H40 Mn3 Mo12 N8 O66 P8 -","1","0.5","","Wang, Jinling; Liu, Xiaohui; Chang, Zhihan; Xu, Na; Wang, Xiuli","Two new manganese-based phosphomolybdate compounds as electrochemical sensors for the highly sensitive trace determination of heavy metal Cr(vi) ions","CrystEngComm","2023","25","27","3953","3958","10.1039/D3CE00517H","","x-ray","0.71073","MoKα","K-L~3~","0.0444","0.0411","","","0.1139","0.1163","","","","","","1.074","","","","has coordinates,has disorder","286096","2023-09-05","19:37:13",""
"7246891","11.944","0.0003","13.794","0.0004","14.6825","0.0004","102.637","0.001","106","","110.82","","2033.94","0.1","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H34 Mn3 Mo12 N8 O66 P8 -","- C24 H40 Mn3 Mo12 N8 O66 P8 -","- C24 H40 Mn3 Mo12 N8 O66 P8 -","1","0.5","","Wang, Jinling; Liu, Xiaohui; Chang, Zhihan; Xu, Na; Wang, Xiuli","Two new manganese-based phosphomolybdate compounds as electrochemical sensors for the highly sensitive trace determination of heavy metal Cr(vi) ions","CrystEngComm","2023","25","27","3953","3958","10.1039/D3CE00517H","","x-ray","0.71073","MoKα","K-L~3~","0.0397","0.0354","","","0.1025","0.1061","","","","","","1.033","","","","has coordinates,has disorder","286096","2023-09-05","19:37:14",""
"7246892","11.976","0.004","9.343","0.003","21.923","0.007","90","","97.91","0.005","90","","2429.7","1.4","296","2","296.15","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C26 H29 Cl N4 O6 Zn -","- C22 H16 Cl N3 O3 Zn -","- C88 H64 Cl4 N12 O12 Zn4 -","4","1","","Guo, Runzhong; Liu, Yuchen; Wang, Zhibin; Wang, Haiying; Liu, Huiyan","Anion-dependent dynamic structure and tunable luminescence of Zn-MOFs with carboxyphenyl-terpyridine ligands","CrystEngComm","2023","25","29","4157","4166","10.1039/D3CE00405H","","","0.71073","MoKα","","0.056","0.0468","","","0.1002","0.1034","","","","","","1.0203","","","","has coordinates","286082","2023-09-05","19:32:43",""
"7246893","12.8121","0.0019","21.163","0.003","15.335","0.002","90","","113.952","0.002","90","","3799.9","0.9","296","2","296.15","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C78 H79 Cl1.5 N13 O16.7 Zn3 -","- C78 H79 Cl1.5 N13 O16.702 Zn3 -","- C156 H158 Cl3 N26 O33.404 Zn6 -","2","0.5","","Guo, Runzhong; Liu, Yuchen; Wang, Zhibin; Wang, Haiying; Liu, Huiyan","Anion-dependent dynamic structure and tunable luminescence of Zn-MOFs with carboxyphenyl-terpyridine ligands","CrystEngComm","2023","25","29","4157","4166","10.1039/D3CE00405H","","","0.71073","MoKα","","0.0808","0.0585","","","0.1562","0.1703","","","","","","1.023","","","","has coordinates,has disorder","286082","2023-09-05","19:32:43",""
"7246894","15.521","0.007","21.92","0.011","23.657","0.011","90","","101.131","0.006","90","","7897","6","296","2","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C77.78 H76.08 B F4 N13.89 O18.94 Zn3 -","- C77.7736 H76.0746 B F4 N13.8884 O18.9434 Zn3 -","- C311.094 H304.298 B4 F16 N55.5536 O75.7736 Zn12 -","4","1","","Guo, Runzhong; Liu, Yuchen; Wang, Zhibin; Wang, Haiying; Liu, Huiyan","Anion-dependent dynamic structure and tunable luminescence of Zn-MOFs with carboxyphenyl-terpyridine ligands","CrystEngComm","2023","25","29","4157","4166","10.1039/D3CE00405H","","","0.71073","MoKα","","0.0945","0.0539","","","0.1359","0.1551","","","","","","1.017","","","","has coordinates,has disorder","286082","2023-09-05","19:32:43",""
"7246895","15.5019","0.0012","21.9566","0.0017","23.6652","0.0018","90","","101.326","0.001","90","","7898","1.1","296.15","","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C78 H78 Cl N14 O23.11 Zn3 -","- C78 H78 Cl N14 O23.098 Zn3 -","- C312 H312 Cl4 N56 O92.392 Zn12 -","4","1","","Guo, Runzhong; Liu, Yuchen; Wang, Zhibin; Wang, Haiying; Liu, Huiyan","Anion-dependent dynamic structure and tunable luminescence of Zn-MOFs with carboxyphenyl-terpyridine ligands","CrystEngComm","2023","25","29","4157","4166","10.1039/D3CE00405H","","","0.71073","MoKα","","0.0864","0.06","","","0.1524","0.1673","","","","","","1.046","","","","has coordinates,has disorder","286082","2023-09-05","19:32:43",""
"7246896","16.2967","0.0005","6.5799","0.0003","11.8991","0.0005","90","","126.545","0.003","90","","1025.08","0.08","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C H8 B9 I N2 -","- C H8 B9 I N2 -","- C4 H32 B36 I4 N8 -","4","1","","Pietrzak, Anna; Carr, Michael J.; Kaszyński, Piotr","Substituent effects on the [1-closo-CB9H10]− anion geometry: experimental and DFT studies","CrystEngComm","2023","25","26","3790","3798","10.1039/D3CE00357D","","","0.71073","MoKα","","0.041","0.0345","","","0.0834","0.087","","","","","","1.083","","","","has coordinates","286112","2023-09-05","19:41:31",""
"7246897","6.4442","0.0005","8.1244","0.0007","10.6645","0.0008","85.078","0.005","82.012","0.005","74.701","0.003","532.62","0.07","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C3 H15 B9 S -","- C3 H15 B9 S -","- C6 H30 B18 S2 -","2","1","","Pietrzak, Anna; Carr, Michael J.; Kaszyński, Piotr","Substituent effects on the [1-closo-CB9H10]− anion geometry: experimental and DFT studies","CrystEngComm","2023","25","26","3790","3798","10.1039/D3CE00357D","","","0.71073","MoKα","","0.1233","0.0995","","","0.288","0.3007","","","","","","1.234","","","","has coordinates","286112","2023-09-05","19:41:32",""
"7246898","9.9849","0.0002","14.325","0.0003","10.8831","0.0002","90","","102.415","0.001","90","","1520.25","0.05","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H16 B9 Cl2 N -","- C7 H16 B9 Cl2 N -","- C28 H64 B36 Cl8 N4 -","4","2","","Pietrzak, Anna; Carr, Michael J.; Kaszyński, Piotr","Substituent effects on the [1-closo-CB9H10]− anion geometry: experimental and DFT studies","CrystEngComm","2023","25","26","3790","3798","10.1039/D3CE00357D","","","0.71073","MoKα","","0.0591","0.0482","","","0.1184","0.125","","","","","","1.04","","","","has coordinates","286112","2023-09-05","19:41:32",""
"7246899","10.1476","0.0004","10.8518","0.0005","13.7392","0.0006","90","","130.476","0.003","90","","1150.87","0.1","195","2","195","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H14 B9 N -","- C6 H14 B9 N -","- C24 H56 B36 N4 -","4","1","","Pietrzak, Anna; Carr, Michael J.; Kaszyński, Piotr","Substituent effects on the [1-closo-CB9H10]− anion geometry: experimental and DFT studies","CrystEngComm","2023","25","26","3790","3798","10.1039/D3CE00357D","","","0.71073","MoKα","","0.0662","0.0564","","","0.1502","0.1613","","","","","","1.024","","","","has coordinates","286112","2023-09-05","19:41:32",""
"7246900","9.0602","0.0001","16.8803","0.0001","22.9672","0.0002","104.577","0.005","92.623","0.004","90.179","0.005","3395.56","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H110 B18 Br2 N10 -","- C46 H110 B18 Br2 N10 -","- C92 H220 B36 Br4 N20 -","2","1","","Pietrzak, Anna; Carr, Michael J.; Kaszyński, Piotr","Substituent effects on the [1-closo-CB9H10]− anion geometry: experimental and DFT studies","CrystEngComm","2023","25","26","3790","3798","10.1039/D3CE00357D","","","0.71073","MoKα","","0.0754","0.0579","","","0.1417","0.1563","","","","","","1.022","","","","has coordinates","286112","2023-09-05","19:41:32",""
"7246901","25.773","0.0019","7.57","0.0003","19.9962","0.0011","90","","111.128","0.008","90","","3639","0.4","150.01","0.1","150.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H18 O2 P S2 Tl -","- C16 H18 O2 P S2 Tl -","- C128 H144 O16 P8 S16 Tl8 -","8","1","","Firdoos, Tahira; Kumar, Pretam; Sharma, Nipunn; Gomila, Rosa M.; Frontera, Antonio; Sood, Puneet; Pandey, Sushil K.","Thallium(i)phosphorodithioates containing intra- and intermolecular π-hole triel bonds","CrystEngComm","2023","25","26","3777","3789","10.1039/D3CE00396E","","x-ray","0.71073","MoKα","","0.0464","0.0378","","","0.0996","0.1096","","","","","","0.828","","","","has coordinates","286111","2023-09-05","19:41:18",""
"7246902","10.5578","0.0007","8.6342","0.0004","19.878","0.0013","90","","101.343","0.006","90","","1776.65","0.19","150.01","0.1","150.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 O2 P S2 Tl -","- C16 H18 O2 P S2 Tl -","- C64 H72 O8 P4 S8 Tl4 -","4","1","","Firdoos, Tahira; Kumar, Pretam; Sharma, Nipunn; Gomila, Rosa M.; Frontera, Antonio; Sood, Puneet; Pandey, Sushil K.","Thallium(i)phosphorodithioates containing intra- and intermolecular π-hole triel bonds","CrystEngComm","2023","25","26","3777","3789","10.1039/D3CE00396E","","x-ray","0.71073","MoKα","","0.0926","0.0576","","","0.126","0.1577","","","","","","0.99","","","","has coordinates","286111","2023-09-05","19:41:21",""
"7246903","11.6052","0.0007","15.1797","0.001","12.7681","0.0013","90","","116.773","0.003","90","","2008.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H26 N2 O13 U -","- C12 H22 N2 O13 U -","- C48 H88 N8 O52 U4 -","4","1","","Thuéry, Pierre; Atoini, Youssef; Harrowfield, Jack","Triple-armed aliphatic tricarboxylic acids as sources of ligands for uranyl ion: influence of bridgehead functionalization","CrystEngComm","2023","25","27","3904","3915","10.1039/D3CE00526G","","","0.71073","MoKα","","0.0204","0.0187","","","0.0454","0.0464","","","","","","1.049","","","","has coordinates","286097","2023-09-05","19:37:27",""
"7246904","7.382","0.0005","23.3063","0.0018","8.5496","0.0007","90","","113.584","0.002","90","","1348.07","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H13 O9 P U -","- C9 H13 O9 P U -","- C36 H52 O36 P4 U4 -","4","1","","Thuéry, Pierre; Atoini, Youssef; Harrowfield, Jack","Triple-armed aliphatic tricarboxylic acids as sources of ligands for uranyl ion: influence of bridgehead functionalization","CrystEngComm","2023","25","27","3904","3915","10.1039/D3CE00526G","","","0.71073","MoKα","","0.0233","0.0224","","","0.0512","0.0516","","","","","","1.096","","","","has coordinates","286097","2023-09-05","19:37:27",""
"7246905","11.6822","0.0006","15.3912","0.0008","11.7959","0.0005","90","","115.56","0.0016","90","","1913.37","0.16","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H38 N8 O21 U2 -","- C22 H38 N8 O21 U2 -","- C44 H76 N16 O42 U4 -","2","1","","Thuéry, Pierre; Atoini, Youssef; Harrowfield, Jack","Triple-armed aliphatic tricarboxylic acids as sources of ligands for uranyl ion: influence of bridgehead functionalization","CrystEngComm","2023","25","27","3904","3915","10.1039/D3CE00526G","","","0.71073","MoKα","","0.0295","0.0292","","","0.0747","0.075","","","","","","1.04","","","","has coordinates","286097","2023-09-05","19:37:27",""
"7246906","12.4106","0.0007","17.241","0.0009","23.5189","0.0014","90","","102.782","0.002","90","","4907.7","0.5","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C40 H46 N6 Ni O23 U2 -","- C40 H44 N6 Ni O23 U2 -","- C160 H176 N24 Ni4 O92 U8 -","4","1","","Thuéry, Pierre; Atoini, Youssef; Harrowfield, Jack","Triple-armed aliphatic tricarboxylic acids as sources of ligands for uranyl ion: influence of bridgehead functionalization","CrystEngComm","2023","25","27","3904","3915","10.1039/D3CE00526G","","","0.71073","MoKα","","0.0373","0.0364","","","0.0927","0.0934","","","","","","1.069","","","","has coordinates","286097","2023-09-05","19:37:27",""
"7246907","11.3872","0.0004","11.5224","0.0004","12.7894","0.0005","114.797","0.0013","98.3735","0.0014","110.77","0.0013","1335.95","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H64 Cu N6 O22 U2 -","- C36 H64 Cu N6 O22 U2 -","- C36 H64 Cu N6 O22 U2 -","1","0.5","","Thuéry, Pierre; Atoini, Youssef; Harrowfield, Jack","Triple-armed aliphatic tricarboxylic acids as sources of ligands for uranyl ion: influence of bridgehead functionalization","CrystEngComm","2023","25","27","3904","3915","10.1039/D3CE00526G","","","0.71073","MoKα","","0.0206","0.0186","","","0.0409","0.0417","","","","","","1.074","","","","has coordinates","286097","2023-09-05","19:37:27",""
"7246908","12.4847","0.0007","17.0888","0.0011","23.5455","0.0016","90","","103.131","0.002","90","","4892.1","0.5","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C40 H46 Cu N6 O23 U2 -","- C40 H44 Cu N6 O23 U2 -","- C160 H176 Cu4 N24 O92 U8 -","4","1","","Thuéry, Pierre; Atoini, Youssef; Harrowfield, Jack","Triple-armed aliphatic tricarboxylic acids as sources of ligands for uranyl ion: influence of bridgehead functionalization","CrystEngComm","2023","25","27","3904","3915","10.1039/D3CE00526G","","","0.71073","MoKα","","0.0296","0.0292","","","0.0704","0.0706","","","","","","1.044","","","","has coordinates","286097","2023-09-05","19:37:27",""
"7246909","11.4827","0.0004","14.2168","0.0005","17.799","0.0006","90","","92.2934","0.0015","90","","2903.31","0.17","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H30 N O10 P U -","- C29 H30 N O10 P U -","- C116 H120 N4 O40 P4 U4 -","4","1","","Thuéry, Pierre; Atoini, Youssef; Harrowfield, Jack","Triple-armed aliphatic tricarboxylic acids as sources of ligands for uranyl ion: influence of bridgehead functionalization","CrystEngComm","2023","25","27","3904","3915","10.1039/D3CE00526G","","","0.71073","MoKα","","0.0238","0.0206","","","0.0527","0.0554","","","","","","1.054","","","","has coordinates","286097","2023-09-05","19:37:27",""
"7246910","6.3646","0.0004","6.3135","0.0003","8.8975","0.0004","90","","110.334","0.006","90","","335.25","0.03","160","2","160","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","sodium vanadyl phosphate carbonate","trisodium vanadyl phosphate carbonate","","- C Na3 O8 P V -","- C Na3 O8 P V -","- C2 Na6 O16 P2 V2 -","2","0.5","","Yakubovich, Olga; Kiriukhina, Galina; Simonov, Sergey; Volkov, Anatoly; Dimitrova, Olga","Na3(VO)(PO4)(CO3): a synthetic member of the bradleyite phosphate carbonate family with a new type of crystal structure","CrystEngComm","2023","25","28","4024","4032","10.1039/D3CE00323J","","","0.71073","MoKα","","0.0214","0.0204","","","0.0464","0.0468","","","","","","1.266","","","","has coordinates","286091","2023-09-05","19:36:15",""
"7246911","9.641","0.002","9.739","0.002","11.262","0.002","97.39","0.02","101.51","0.02","113.55","0.02","924","0.4","240","2","240","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H20 N4 O10 P3 -","- C10 H20 N4 O10 P3 -","- C20 H40 N8 O20 P6 -","2","1","","Budzikur-Maciąg, Daria; Kinzhybalo, Vasyl; Ślepokura, Katarzyna","Structural variety and dehydration in 3-aminopyridine–hypodiphosphoric acid–water system","CrystEngComm","2023","25","26","3826","3836","10.1039/D3CE00186E","","","0.71073","MoKα","","0.0824","0.0426","","","0.1116","0.1255","","","","","","1.085","","","","has coordinates,has disorder","286113","2023-09-05","19:41:43",""
"7246912","7.327","0.002","8.018","0.002","9.174","0.003","113.48","0.03","106.06","0.03","90.3","0.02","470.9","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C5 H10 N2 O6 P2 -","- C5 H10 N2 O6 P2 -","- C10 H20 N4 O12 P4 -","2","1","","Budzikur-Maciąg, Daria; Kinzhybalo, Vasyl; Ślepokura, Katarzyna","Structural variety and dehydration in 3-aminopyridine–hypodiphosphoric acid–water system","CrystEngComm","2023","25","26","3826","3836","10.1039/D3CE00186E","","","0.71073","MoKα","","0.0577","0.0536","","","0.1516","0.1579","","","","","","1.07","","","","has coordinates","286113","2023-09-05","19:41:43",""
"7246913","8.001","0.002","8.69","0.002","13.612","0.003","79.88","0.02","73.43","0.02","84.7","0.02","892.1","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H36 N8 O18 P6 -","- C20 H36 N8 O18 P6 -","- C20 H36 N8 O18 P6 -","1","0.5","","Budzikur-Maciąg, Daria; Kinzhybalo, Vasyl; Ślepokura, Katarzyna","Structural variety and dehydration in 3-aminopyridine–hypodiphosphoric acid–water system","CrystEngComm","2023","25","26","3826","3836","10.1039/D3CE00186E","","","1.5418","CuKα","","0.0712","0.0666","","","0.194","0.1974","","","","","","1.118","","","","has coordinates,has disorder","286113","2023-09-05","19:41:43",""
"7246914","12.014","0.002","13.556","0.002","12.259","0.002","90","","90","","90","","1996.5","0.6","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H22 N6 O6 P2 -","- C15 H22 N6 O6 P2 -","- C60 H88 N24 O24 P8 -","4","1","","Budzikur-Maciąg, Daria; Kinzhybalo, Vasyl; Ślepokura, Katarzyna","Structural variety and dehydration in 3-aminopyridine–hypodiphosphoric acid–water system","CrystEngComm","2023","25","26","3826","3836","10.1039/D3CE00186E","","","1.5418","CuKα","","0.029","0.0284","","","0.0751","0.0755","","","","","","1.046","","","","has coordinates","286113","2023-09-05","19:41:43",""
"7246915","12.0257","0.0013","14.6592","0.0014","12.1537","0.0011","90","","106.49","0.02","90","","2054.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H48 N12 O14 P4 -","- C30 H48 N12 O14 P4 -","- C60 H96 N24 O28 P8 -","2","0.5","","Budzikur-Maciąg, Daria; Kinzhybalo, Vasyl; Ślepokura, Katarzyna","Structural variety and dehydration in 3-aminopyridine–hypodiphosphoric acid–water system","CrystEngComm","2023","25","26","3826","3836","10.1039/D3CE00186E","","","1.5418","CuKα","","0.0258","0.0253","","","0.0686","0.069","","","","","","1.056","","","","has coordinates","286113","2023-09-05","19:41:43",""
"7246916","10.6024","0.0014","13.234","0.002","13.848","0.002","73.1","0.02","81.56","0.02","81.96","0.02","1829.3","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H20 N4 O10 P3 -","- C10 H20 N4 O10 P3 -","- C40 H80 N16 O40 P12 -","4","2","","Budzikur-Maciąg, Daria; Kinzhybalo, Vasyl; Ślepokura, Katarzyna","Structural variety and dehydration in 3-aminopyridine–hypodiphosphoric acid–water system","CrystEngComm","2023","25","26","3826","3836","10.1039/D3CE00186E","","","0.71073","MoKα","","0.0911","0.0455","","","0.1134","0.1282","","","","","","1.063","","","","has coordinates","286113","2023-09-05","19:41:43",""
"7246917","7.9325","0.0003","7.8534","0.0004","15.8599","0.0008","90","","99.753","0.002","90","","973.75","0.08","193","","193","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C26 H12 N4 O -","- C26 H12 N4 O -","- C52 H24 N8 O2 -","2","1","","Wang, Shuai; Xiang, Wenxin; Pan, Chen; Chen, Jinqiu; Li, Wenju; Zhang, Jing; Zhao, Jianfeng; Liu, Guangfeng","Changes in piezochromic luminescence of a charge transfer complex subjected to grinding and isotropic compression","CrystEngComm","2023","25","27","3861","3865","10.1039/D3CE00447C","","","0.71073","MoKα","","0.0853","0.074","","","0.2023","0.2152","","","","","","1.07","","","","has coordinates","286098","2023-09-05","19:37:35",""
"7246918","7.9376","0.0008","7.9412","0.0008","15.8417","0.0018","93.49","0.009","100.212","0.008","92.313","0.008","979.59","0.18","193","","193","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H12 N4 O -","- C26 H12 N4 O -","- C52 H24 N8 O2 -","2","1","","Wang, Shuai; Xiang, Wenxin; Pan, Chen; Chen, Jinqiu; Li, Wenju; Zhang, Jing; Zhao, Jianfeng; Liu, Guangfeng","Changes in piezochromic luminescence of a charge transfer complex subjected to grinding and isotropic compression","CrystEngComm","2023","25","27","3861","3865","10.1039/D3CE00447C","","","1.54178","CuKα","","0.1449","0.105","","","0.291","0.3339","","","","","","1.111","","","","has coordinates,has disorder","286098","2023-09-05","19:37:35",""
"7246919","18.6359","0.0006","11.9828","0.0006","17.9652","0.0007","90","","103.225","0.003","90","","3905.4","0.3","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C70 H64 Cl4 Cu2 N16 O12 S8 -","- C70 H64 Cl4 Cu2 N16 O12 S8 -","- C140 H128 Cl8 Cu4 N32 O24 S16 -","2","0.25","","Lee, Hyeong-Hwan; Oh, Jihye; Lee, Shim Sung; Park, In-Hyeok","Preparation of one-dimensional coordination polymers of a flexible tripyridyl disulfide with diverse topologies","CrystEngComm","2023","25","28","4033","4038","10.1039/D3CE00457K","","","0.71073","MoKα","","0.0641","0.0437","","","0.1027","0.1122","","","","","","1.042","","","","has coordinates,has disorder","286090","2023-09-05","19:36:08",""
"7246920","8.0501","0.0001","12.563","0.0002","12.6704","0.0002","68.686","0.001","78.062","0.001","89.674","0.001","1164.54","0.03","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H18 Ag F6 N4 P S2 -","- C19 H18 Ag F6 N4 P S2 -","- C38 H36 Ag2 F12 N8 P2 S4 -","2","1","","Lee, Hyeong-Hwan; Oh, Jihye; Lee, Shim Sung; Park, In-Hyeok","Preparation of one-dimensional coordination polymers of a flexible tripyridyl disulfide with diverse topologies","CrystEngComm","2023","25","28","4033","4038","10.1039/D3CE00457K","","","0.71073","MoKα","","0.0358","0.0293","","","0.0678","0.0705","","","","","","1.039","","","","has coordinates,has disorder","286090","2023-09-05","19:36:08",""
"7246921","7.9319","0.0003","23.068","0.001","11.7359","0.0005","90","","91.872","0.002","90","","2146.21","0.15","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 Ag Cl2 N4 O3 S2 -","- C18 H17 Ag Cl2 N4 O3 S2 -","- C72 H68 Ag4 Cl8 N16 O12 S8 -","4","1","","Lee, Hyeong-Hwan; Oh, Jihye; Lee, Shim Sung; Park, In-Hyeok","Preparation of one-dimensional coordination polymers of a flexible tripyridyl disulfide with diverse topologies","CrystEngComm","2023","25","28","4033","4038","10.1039/D3CE00457K","","","0.71073","MoKα","","0.1231","0.1014","","","0.2508","0.2663","","","","","","1.029","","","","has coordinates","286090","2023-09-05","19:36:08",""
"7246922","9.8728","0.0008","10.2889","0.0009","10.9536","0.0009","80.721","0.005","87.251","0.005","73.377","0.004","1052.22","0.15","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H17 Ag Cl3 N3 O4 S2 -","- C18 H17 Ag Cl3 N3 O4 S2 -","- C36 H34 Ag2 Cl6 N6 O8 S4 -","2","1","","Lee, Hyeong-Hwan; Oh, Jihye; Lee, Shim Sung; Park, In-Hyeok","Preparation of one-dimensional coordination polymers of a flexible tripyridyl disulfide with diverse topologies","CrystEngComm","2023","25","28","4033","4038","10.1039/D3CE00457K","","","0.71073","MoKα","","0.1505","0.1429","","","0.4537","0.4768","","","","","","1.009","","","","has coordinates,has disorder","286090","2023-09-05","19:36:08",""
"7246923","13.2718","0.0001","9.2515","0.0001","27.958","0.0002","90","","90.371","0.001","90","","3432.72","0.05","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","monoclinic","","- C40 H43 N3 O7 Zn -","- C40 H43 N3 O7 Zn -","- C160 H172 N12 O28 Zn4 -","4","1","","Hu, Hui; Zhang, Zhen-Wei; Zhang, Da-Shuai; Zhou, Xue; Ji, Hui; Zhang, Yong-Zheng; Deng, Yuchen; Geng, Longlong; Zhang, Xiuling; Lv, Chao; Wei, Rongmin; Wang, Jin-Hua","Modulating the luminescent performances on blue-emitting coordination polymers via tuning the end-solvent molecules","CrystEngComm","2023","25","27","3896","3903","10.1039/D3CE00551H","","x-ray","1.54178","CuKα","","0.0295","0.0294","","","0.0793","0.0793","","","","","","1.063","","","","has coordinates","286093","2023-09-05","19:36:45",""
"7246924","17.1162","0.001","6.8868","0.0004","25.8217","0.0015","90","","98.038","0.002","90","","3013.9","0.3","293","2","293.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","monoclinic","","- C34 H30 N2 O6 Zn -","- C34 H30 N2 O6 Zn -","- C136 H120 N8 O24 Zn4 -","4","0.5","","Hu, Hui; Zhang, Zhen-Wei; Zhang, Da-Shuai; Zhou, Xue; Ji, Hui; Zhang, Yong-Zheng; Deng, Yuchen; Geng, Longlong; Zhang, Xiuling; Lv, Chao; Wei, Rongmin; Wang, Jin-Hua","Modulating the luminescent performances on blue-emitting coordination polymers via tuning the end-solvent molecules","CrystEngComm","2023","25","27","3896","3903","10.1039/D3CE00551H","","","0.71073","MoKα","","0.045","0.0356","","","0.0866","0.0907","","","","","","1.087","","","","has coordinates","286093","2023-09-05","19:36:46",""
"7246925","16.874","0.003","6.9253","0.0011","28.607","0.005","90","","91.96","0.01","90","","3341","1","293","2","293.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H36 N2 O6 Zn -","- C38 H36 N2 O6 Zn -","- C152 H144 N8 O24 Zn4 -","4","0.5","","Hu, Hui; Zhang, Zhen-Wei; Zhang, Da-Shuai; Zhou, Xue; Ji, Hui; Zhang, Yong-Zheng; Deng, Yuchen; Geng, Longlong; Zhang, Xiuling; Lv, Chao; Wei, Rongmin; Wang, Jin-Hua","Modulating the luminescent performances on blue-emitting coordination polymers via tuning the end-solvent molecules","CrystEngComm","2023","25","27","3896","3903","10.1039/D3CE00551H","","","0.71073","MoKα","","0.0716","0.0609","","","0.1728","0.1815","","","","","","1.109","","","","has coordinates","286093","2023-09-05","19:36:46",""
"7246926","9.867","0.0005","12.0062","0.0007","13.1276","0.0006","115.459","0.005","93.033","0.004","91.808","0.004","1399.63","0.14","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C37 H19 N O21 Zn4 -","- C37 H19 N O21 Zn4 -","- C37 H19 N O21 Zn4 -","1","1","","Zhang, Le-Tian; Fu, Zi-Xuan; Yin, Jia-Cheng; Liu, Ming; Zhang, Yin-Qiang; Lan, Lan; Li, Na; Bu, Xian-He","UV and X-ray dual-induced photochromism in a benzophenone-based metal–organic framework for inkless erasable printing","CrystEngComm","2023","25","28","4019","4023","10.1039/D3CE00398A","","","1.54178","CuKα","","0.0398","0.0378","","","0.1062","0.1086","","","","","","1.063","","","","has coordinates","286092","2023-09-05","19:36:24",""
"7246927","9.8663","0.0003","11.9838","0.0006","13.1236","0.0005","115.559","0.004","93.042","0.003","91.661","0.003","1395.54","0.11","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C37 H19 N O21 Zn4 -","- C37 H19 N O21 Zn4 -","- C37 H19 N O21 Zn4 -","1","1","","Zhang, Le-Tian; Fu, Zi-Xuan; Yin, Jia-Cheng; Liu, Ming; Zhang, Yin-Qiang; Lan, Lan; Li, Na; Bu, Xian-He","UV and X-ray dual-induced photochromism in a benzophenone-based metal–organic framework for inkless erasable printing","CrystEngComm","2023","25","28","4019","4023","10.1039/D3CE00398A","","","1.54178","CuKα","","0.0346","0.0323","","","0.0934","0.097","","","","","","1.039","","","","has coordinates","286092","2023-09-05","19:36:24",""
"7246928","12.952","0.0009","13.4792","0.001","15.8481","0.0012","110.169","0.002","113.276","0.002","90.899","0.003","2348.4","0.3","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H33.52 Cl6 Mn N2 -","- C14 H34 Cl6 Mn N2 -","- C56 H136 Cl24 Mn4 N8 -","4","2","","Zhang, Yinan; Cai, Zhuoer; Zhang, Xinyi; Xiao, Shiyue; Liu, Xianmin; Zhao, Yingyi; Hua, Xiu-Ni; Sun, Baiwang","Dielectric and optical properties of a new organic–inorganic hybrid phase transition material","CrystEngComm","2023","25","30","4284","4289","10.1039/D3CE00454F","","x-ray","0.71073","MoKα","","0.1144","0.078","","","0.1954","0.2177","","","","","","1.052","","","","has coordinates,has disorder","286116","2023-09-05","19:42:37",""
"7246929","9.2031","0.0009","9.2031","0.0009","14.662","0.002","90","","90","","90","","1241.8","0.2","340","","340","","","","","","","","","5","P 42/n m c :2","-P 4ac 2a","137","","","","- C14 H34 Cl6 Mn N2 -","- C14 H34 Cl6 Mn N -","- C28 H68 Cl12 Mn2 N2 -","2","0.125","","Zhang, Yinan; Cai, Zhuoer; Zhang, Xinyi; Xiao, Shiyue; Liu, Xianmin; Zhao, Yingyi; Hua, Xiu-Ni; Sun, Baiwang","Dielectric and optical properties of a new organic–inorganic hybrid phase transition material","CrystEngComm","2023","25","30","4284","4289","10.1039/D3CE00454F","","x-ray","0.71073","MoKα","","0.1212","0.0898","","","0.3186","0.3564","","","","","","1.4","","","","has coordinates,has disorder","286116","2023-09-05","19:42:38",""
"7246930","37.455","0.0014","36.5541","0.0014","11.0255","0.0002","90","","90","","90","","15095.4","0.9","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C112 H84 Mn4 N16 O26 -","- C112 H84 Mn4 N16 O26 -","- C448 H336 Mn16 N64 O104 -","4","0.5","","Yin, Jia-Ling; Yan, Qing-Qing; Liu, Yu-Xin; Yong, Guo-Ping","From zero-dimensional metallomacrocycle to three-dimensional metal–organic frameworks mediated by solvent polarity: near-white light emissions and gas adsorption properties","CrystEngComm","2023","25","31","4435","4444","10.1039/D3CE00476G","","x-ray","1.54184","CuKα","","0.135","0.0883","","","0.2529","0.2972","","","","","","0.994","","","","has coordinates","286118","2023-09-05","19:43:01",""
"7246931","11.4539","0.0013","25.379","0.002","10.1811","0.0007","90","","99.143","0.009","90","","2921.9","0.5","104","6","104","6","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H16 Mn N4 O4 -","- C28 H16 Mn N4 O4 -","- C112 H64 Mn4 N16 O16 -","4","1","","Yin, Jia-Ling; Yan, Qing-Qing; Liu, Yu-Xin; Yong, Guo-Ping","From zero-dimensional metallomacrocycle to three-dimensional metal–organic frameworks mediated by solvent polarity: near-white light emissions and gas adsorption properties","CrystEngComm","2023","25","31","4435","4444","10.1039/D3CE00476G","","x-ray","1.54184","CuKα","","0.1517","0.0925","","","0.1925","0.2189","","","","","","1.042","","","","has coordinates","286118","2023-09-05","19:43:01",""
"7246932","33.5391","0.0018","13.3893","0.0012","12.2796","0.0006","90","","98.383","0.005","90","","5455.4","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H34 N2 O11 Zn2 -","- C50 H34 N2 O11 Zn2 -","- C200 H136 N8 O44 Zn8 -","4","1","","Yin, Jia-Ling; Yan, Qing-Qing; Liu, Yu-Xin; Yong, Guo-Ping","From zero-dimensional metallomacrocycle to three-dimensional metal–organic frameworks mediated by solvent polarity: near-white light emissions and gas adsorption properties","CrystEngComm","2023","25","31","4435","4444","10.1039/D3CE00476G","","","1.54184","CuKα","","0.2494","0.1876","","","0.4432","0.4805","","","","","","1.199","","","","has coordinates","286118","2023-09-05","19:43:01",""
"7246933","9.5646","0.0011","3.7993","0.0005","13.5636","0.0017","90","","106.084","0.013","90","","473.59","0.11","113.15","","113.15","","","","","","","","","4","P 1 n 1","P -2yac","7","","Dimethyl 5-aminoisophthalate","","- C10 H11 N O4 -","- C10 H11 N O4 -","- C20 H22 N2 O8 -","2","1","","Gao, Lijie; Wang, Meng; Li, Shuyu; Chen, Kui; Zhou, Lina; Li, Xin; Wang, Na; Huang, Xin; Hao, Hongxun; Wang, Ting","Real-time fluorescence visualization of the evaporation crystallization process based on the AIEE mechanism","CrystEngComm","2023","25","28","4064","4075","10.1039/D3CE00232B","","","0.71073","MoKα","","0.0722","0.0637","","","0.1799","0.1842","","","","","","1.049","","","","has coordinates","286087","2023-09-05","19:35:34",""
"7246934","7.1188","0.0014","18.663","0.004","7.959","0.0016","90","","106.09","0.03","90","","1016","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3,5-Dicarbomethoxyaniline;3-benzenedicarboxylicacid,5-amino-dimethylester;5-Amino-1,3-isophthalic","Dimethyl 5-aminoisophthalate","","- C10 H11 N O4 -","- C10 H11 N O4 -","- C40 H44 N4 O16 -","4","1","","Gao, Lijie; Wang, Meng; Li, Shuyu; Chen, Kui; Zhou, Lina; Li, Xin; Wang, Na; Huang, Xin; Hao, Hongxun; Wang, Ting","Real-time fluorescence visualization of the evaporation crystallization process based on the AIEE mechanism","CrystEngComm","2023","25","28","4064","4075","10.1039/D3CE00232B","","","0.71073","MoKα","","0.0752","0.053","","","0.1588","0.1765","","","","","","1.008","","","","has coordinates","286087","2023-09-05","19:35:34",""
"7246935","9.3469","0.0004","9.976","0.0004","17.9902","0.0008","79.743","0.001","86.729","0.001","67.295","0.001","1522.64","0.11","189","2","189","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H29 N2 O11.5 Zn2 -","- C29 H29 N2 O11.5 Zn2 -","- C58 H58 N4 O23 Zn4 -","2","1","","Xiao, Cheng-Yue; Deng, Xi-Ling; Wei, Zan-Bin; Yang, Shi-Yao","Research on single-crystal-to-single-crystal photoaddition and extension of Schmidt's rule in topological chemistry","CrystEngComm","2023","25","26","3714","3717","10.1039/D3CE00443K","","","0.71073","MoKα","","0.0529","0.0463","","","0.1282","0.1335","","","","","","1.027","","","","has coordinates,has disorder","286114","2023-09-05","19:41:58",""
"7246936","9.1845","0.0003","9.9874","0.0003","18.5249","0.0005","79.721","0.002","86.064","0.002","68.155","0.003","1551.94","0.09","233","2","233.15","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H27.8 N2 O10.9 Zn2 -","- C29 H27.8 N2 O10.9 Zn2 -","- C58 H55.6 N4 O21.8 Zn4 -","2","1","","Xiao, Cheng-Yue; Deng, Xi-Ling; Wei, Zan-Bin; Yang, Shi-Yao","Research on single-crystal-to-single-crystal photoaddition and extension of Schmidt's rule in topological chemistry","CrystEngComm","2023","25","26","3714","3717","10.1039/D3CE00443K","","","1.54184","CuKα","","0.0984","0.077","","","0.2216","0.2374","","","","","","1.052","","","","has coordinates,has disorder","286114","2023-09-05","19:41:58",""
"7246937","9.351","0.0002","9.9976","0.0002","18.0428","0.0004","80.1","0.002","87.289","0.002","67.583","0.002","1535.78","0.06","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H29.8 N2 O11.9 Zn2 -","- C29 H29.8 N2 O11.9 Zn2 -","- C58 H59.6 N4 O23.8 Zn4 -","2","1","","Xiao, Cheng-Yue; Deng, Xi-Ling; Wei, Zan-Bin; Yang, Shi-Yao","Research on single-crystal-to-single-crystal photoaddition and extension of Schmidt's rule in topological chemistry","CrystEngComm","2023","25","26","3714","3717","10.1039/D3CE00443K","","","1.54184","CuKα","","0.0579","0.0534","","","0.1397","0.1435","","","","","","1.029","","","","has coordinates,has disorder","286114","2023-09-05","19:41:58",""
"7246938","8.717","0.001","9.9589","0.0012","19.6815","0.0014","78.835","0.009","84.141","0.009","69.71","0.011","1571.1","0.3","233","2","233.15","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H27.7 N2 O10.85 Zn2 -","- C29 H27.7 N2 O10.85 Zn2 -","- C58 H55.4 N4 O21.7 Zn4 -","2","1","","Xiao, Cheng-Yue; Deng, Xi-Ling; Wei, Zan-Bin; Yang, Shi-Yao","Research on single-crystal-to-single-crystal photoaddition and extension of Schmidt's rule in topological chemistry","CrystEngComm","2023","25","26","3714","3717","10.1039/D3CE00443K","","","1.54184","CuKα","","0.1166","0.089","","","0.2524","0.3068","","","","","","1.175","","","","has coordinates,has disorder","286114","2023-09-05","19:41:58",""
"7246949","14.312","0.016","8.755","0.01","25.39","0.03","90","","95.79","0.02","90","","3165","6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H19 Ag N16 -","- C30 H19 Ag N16 -","- C120 H76 Ag4 N64 -","4","1","","Kang, Hai-Peng; Zhou, Han-Chen; Tang, Xiong; Liu, Chang; Li, Yong-Hua; Zhang, Hao-Zhe; Su, Jian; Ferbinteanu, Marilena; Wu, Hua-Yu; Wang, Shi","An AIE-active tetraphenylethene functionalized silver-tetrazolate coordination polymer for selective fluorescence sensing of explosives","CrystEngComm","2023","25","29","4231","4237","10.1039/D3CE00598D","","","0.71073","MoKα","","0.1042","0.0514","","","0.1132","0.1477","","","","","","1.05","","","","has coordinates","286083","2023-09-05","19:32:51",""
"7246974","4.9864","0.0005","10.0378","0.0011","10.0982","0.0011","72.982","0.005","83.424","0.006","79.174","0.005","473.75","0.09","100","","100","","","","","","","","","5","P -1","-P 1","2","Cd(PyImPr)-kgd-beta","Catena-[bis(β-(3,4-pyridinedicarboximido)propionato)-cadmium]","","- C20 H14 Cd N4 O8 -","- C20 H14 Cd N4 O8 -","- C20 H14 Cd N4 O8 -","1","0.5","","Andaloussi, Yassin H.; Bezrukov, Andrey A.; Sensharma, Debobroto; Zaworotko, Michael J.","Supramolecular isomerism and structural flexibility in coordination networks sustained by cadmium rod building blocks.","CrystEngComm","2023","25","29","4175","4181","10.1039/d3ce00557g","","","1.54178","CuKα","","0.0815","0.0779","","","0.2047","0.2172","","","","","","1.111","","","","has coordinates","286080","2023-09-05","19:32:10",""
"7246975","4.9218","0.0002","18.328","0.0007","10.9159","0.0005","90","","97.893","0.002","90","","975.36","0.07","100.15","","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Cd(PyImPr)2-hlz-beta","Catena-[bis(β-(3,4-pyridinedicarboximido)propionato)-cadmium]","","- C20 H14 Cd N4 O8 -","- C20 H14 Cd N4 O8 -","- C40 H28 Cd2 N8 O16 -","2","0.5","","Andaloussi, Yassin H.; Bezrukov, Andrey A.; Sensharma, Debobroto; Zaworotko, Michael J.","Supramolecular isomerism and structural flexibility in coordination networks sustained by cadmium rod building blocks.","CrystEngComm","2023","25","29","4175","4181","10.1039/d3ce00557g","","","1.54178","CuKα","","0.0773","0.0757","","","0.1779","0.1785","","","","","","1.323","","","","has coordinates","286080","2023-09-05","19:32:10",""
"7246976","5.0968","0.0001","18.2442","0.0003","15.0256","0.0003","90","","96.058","0.001","90","","1389.38","0.05","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Cd(PyImPr)2-hlz-alpha","Catena-[bis(β-(3,4-pyridinedicarboximido)propionato)-cadmium bis(dimethylformamide)]","","- C26 H28 Cd N6 O10 -","- C26 H28 Cd N6 O10 -","- C52 H56 Cd2 N12 O20 -","2","0.5","","Andaloussi, Yassin H.; Bezrukov, Andrey A.; Sensharma, Debobroto; Zaworotko, Michael J.","Supramolecular isomerism and structural flexibility in coordination networks sustained by cadmium rod building blocks.","CrystEngComm","2023","25","29","4175","4181","10.1039/d3ce00557g","","","1.54178","CuKα","","0.032","0.031","","","0.079","0.0798","","","","","","1.127","","","","has coordinates","286080","2023-09-05","19:32:10",""
"7246977","5.0173","0.0001","9.6508","0.0003","11.4756","0.0003","82.357","0.001","79.568","0.001","80.006","0.001","535.21","0.02","100","","100","","","","","","","","","5","P -1","-P 1","2","Cd(PyImPr)2-kgd-open","Catena-[bis(β-(3,4-pyridinedicarboximido)propionato)-cadmium]","","- C20 H14 Cd N4 O8 -","- C20 H14 Cd N4 O8 -","- C20 H14 Cd N4 O8 -","1","0.5","","Andaloussi, Yassin H.; Bezrukov, Andrey A.; Sensharma, Debobroto; Zaworotko, Michael J.","Supramolecular isomerism and structural flexibility in coordination networks sustained by cadmium rod building blocks.","CrystEngComm","2023","25","29","4175","4181","10.1039/d3ce00557g","","","1.54178","CuKα","","0.0409","0.0407","","","0.1063","0.1082","","","","","","1.054","","","","has coordinates","286080","2023-09-05","19:32:10",""
"7246978","25.238","0.005","4.988","0.001","25.694","0.005","90","","116.13","0.03","90","","2904","1.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H35.28 N5 O10.14 -","- C29 H35 N5 O10.1415 -","- C116 H140 N20 O40.566 -","4","2","","Sori, Lorenzo; Pizzi, Andrea; Bergamaschi, Greta; Gori, Alessandro; Gautieri, Alfonso; Demitri, Nicola; Soncini, Monica; Metrangolo, Pierangelo","Computation meets experiment: identification of highly efficient fibrillating peptides","CrystEngComm","2023","25","32","4503","4510","10.1039/D3CE00495C","","","0.6199","Synchrotron","","0.1584","0.0788","","","0.1902","0.2322","","","","","","1.015","","","","has coordinates,has disorder","286100","2023-09-05","19:38:03",""
"7246979","9.475","0.002","11.269","0.002","17.688","0.004","81.39","0.03","79.74","0.03","78.24","0.03","1806.8","0.7","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C30 H43 F1.5 N5 Na0.5 O13 -","- C30 H37 F1.5 N5 Na0.5 O13 -","- C60 H74 F3 N10 Na O26 -","2","2","","Sori, Lorenzo; Pizzi, Andrea; Bergamaschi, Greta; Gori, Alessandro; Gautieri, Alfonso; Demitri, Nicola; Soncini, Monica; Metrangolo, Pierangelo","Computation meets experiment: identification of highly efficient fibrillating peptides","CrystEngComm","2023","25","32","4503","4510","10.1039/D3CE00495C","","","0.62","Synchrotron","","0.1253","0.0856","","","0.2237","0.2516","","","","","","1.007","","","","has coordinates,has disorder","286100","2023-09-05","19:38:04",""
"7246980","31.544","0.006","9.474","0.002","15.431","0.003","90","","92.44","0.03","90","","4607.3","1.6","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C36 H51 F3 N7 O16.25 -","- C36 H42 F3 N7 O16.5 -","- C144 H168 F12 N28 O66 -","4","1","","Sori, Lorenzo; Pizzi, Andrea; Bergamaschi, Greta; Gori, Alessandro; Gautieri, Alfonso; Demitri, Nicola; Soncini, Monica; Metrangolo, Pierangelo","Computation meets experiment: identification of highly efficient fibrillating peptides","CrystEngComm","2023","25","32","4503","4510","10.1039/D3CE00495C","","","0.7","Synchrotron","","0.2494","0.133","","","0.2853","0.3484","","","","","","1.072","","","","has coordinates,has disorder","286100","2023-09-05","19:38:04",""
"7246981","9.724","0.002","33.662","0.007","9.966","0.002","90","","90.87","0.03","90","","3261.8","1.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H45 N5 O11 -","- C31 H45 N5 O11 -","- C124 H180 N20 O44 -","4","2","","Sori, Lorenzo; Pizzi, Andrea; Bergamaschi, Greta; Gori, Alessandro; Gautieri, Alfonso; Demitri, Nicola; Soncini, Monica; Metrangolo, Pierangelo","Computation meets experiment: identification of highly efficient fibrillating peptides","CrystEngComm","2023","25","32","4503","4510","10.1039/D3CE00495C","","","0.62","Synchrotron","","0.1172","0.0645","","","0.1616","0.1898","","","","","","1.006","","","","has coordinates","286100","2023-09-05","19:38:04",""
"7246982","9.5155","0.0005","20.4042","0.001","27.4702","0.0015","90","","97.945","0.002","90","","5282.3","0.5","251","","251","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C63 H48 Co N12 O6 -","- C63 H48 Co N12 O6 -","- C252 H192 Co4 N48 O24 -","4","1","","Luo, Rong; Xu, Cun-Gang; Yu, Hai-Jun; Wu, Rui-Xue; Lu, Peng; Fan, Yu-Hua; Shao, Feng","A novel Co(ii)-based MOF with selective fluorescence as a turn-on sensor for biomarker methylmalonic acid","CrystEngComm","2023","25","29","4120","4125","10.1039/D3CE00576C","","","0.71073","MoKα","","0.0834","0.045","","","0.1039","0.1278","","","","","","1.02","","","","has coordinates","286085","2023-09-05","19:34:57",""
"7246996","8.07743","0.0001","8.07743","0.0001","23.4262","0.0003","90","","90","","120","","1323.67","0.03","293","2","293","2","","","","","","","no","4","P 3 1 c","P 3 -2c","159","iodate","Cesium Tantale Iodate","","- Cs3 I8 O24 Ta -","- Cs3 I8 O24 Ta -","- Cs6 I16 O48 Ta2 -","2","0.333333","","Belokoneva, Elena L.; Reutova, Olga V.; Dimitrova, Olga V.; Volkov, Anatoly S.; Stefanovich, Sergey Yu.; Maltsev, Victor V.; Vigasina, Marina F.","New layered nonlinear optical iodate Cs3Ta(IO3)8: topology-symmetry analysis and structure prediction","CrystEngComm","2023","25","30","4364","4369","10.1039/D3CE00461A","","","0.71073","MoKα","","0.0384","0.0361","","","0.0873","0.089","","","","","","1.133","","","","has coordinates","286115","2023-09-05","19:42:24",""
"7247001","8.7734","0.0003","10.412","0.0003","14.03","0.0005","90","","97.502","0.001","90","","1270.65","0.07","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","thiadiazol","'2,3-diphenyl-1,3,4-thiadiazol-3-ium-5-thiolate'","","- C14 H10 N2 S2 -","- C14 H10 N2 S2 -","- C56 H40 N8 S8 -","4","1","","Lima, Priscila S. V.; Weimer, Gustavo H.; Oliveira, Leonardo P.; Souza, Helivaldo D. S.; Fiss, Gabriela F.; Bonacorso, Helio G.; Martins, Marcos A. P.","Mesoionic compounds: the role of intermolecular interactions in their crystalline design","CrystEngComm","2023","25","35","4976","4991","10.1039/D3CE00554B","","x-ray","1.54178","CuKα","","0.0364","0.0339","","","0.0903","0.0922","","","","","","1.049","","","","has coordinates","286743","2023-10-06","00:07:38",""
"7247002","5.455","0.015","14.57","0.04","14.53","0.04","90","","96.13","0.04","90","","1148","5","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","FLUCYTOSINE-GENTISIC ACID form I","FLUCYTOSINE-GENTISIC ACID form I","","- C11 H10 F N3 O5 -","- C11 H10 F N3 O5 -","- C44 H40 F4 N12 O20 -","4","1","","Kanagavel, Manimurugan; Nechipadappu, Sunil Kumar","Trimorphic forms of 5-fluorocytosine–gentisic acid with enhanced hydration stability","CrystEngComm","2023","25","29","4199","4212","10.1039/D3CE00450C","","","0.71073","MoKα","","0.1078","0.0732","","","0.1819","0.2095","","","","","","0.99","","","","has coordinates","286081","2023-09-05","19:32:22",""
"7247003","3.715","0.002","14.634","0.008","22.239","0.015","90","","92.71","0.02","90","","1207.7","1.2","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","FLUCYTOSINE-GENTISIC ACID form II","FLUCYTOSINE-GENTISIC ACID form II","","- C11 H10 F N3 O5 -","- C11 H10 F N3 O5 -","- C44 H40 F4 N12 O20 -","4","1","","Kanagavel, Manimurugan; Nechipadappu, Sunil Kumar","Trimorphic forms of 5-fluorocytosine–gentisic acid with enhanced hydration stability","CrystEngComm","2023","25","29","4199","4212","10.1039/D3CE00450C","","","0.71073","MoKα","","0.1158","0.0538","","","0.1027","0.1249","","","","","","1.017","","","","has coordinates","286081","2023-09-05","19:32:22",""
"7247004","10.3556","0.0004","8.6408","0.0003","14.1363","0.0006","90","","110.761","0.002","90","","1182.79","0.08","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","FLUCYTOSINE-GENTISATE form III","FLUCYTOSINE-GENTISATE form III","","- C11 H10 F N3 O5 -","- C11 H10 F N3 O5 -","- C44 H40 F4 N12 O20 -","4","1","","Kanagavel, Manimurugan; Nechipadappu, Sunil Kumar","Trimorphic forms of 5-fluorocytosine–gentisic acid with enhanced hydration stability","CrystEngComm","2023","25","29","4199","4212","10.1039/D3CE00450C","","","0.71073","MoKα","","0.0599","0.0438","","","0.1177","0.1316","","","","","","1.048","","","","has coordinates","286081","2023-09-05","19:32:22",""
"7247005","8.934","0.0004","11.4151","0.0005","13.698","0.0006","83.066","0.001","81.123","0.001","83.439","0.001","1363.6","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H20 Eu N3 O7 -","- C33 H20 Eu N3 O7 -","- C66 H40 Eu2 N6 O14 -","2","1","","Arteaga, Ana; Lulich, Alice; Nyman, May; Surbella, Robert G.","Designing scintillating coordination polymers using a dual-ligand synthetic approach","CrystEngComm","2023","25","32","4496","4502","10.1039/D3CE00358B","","x-ray","0.71073","MoKα","","0.0286","0.0254","","","0.0608","0.0626","","","","","","1.077","","","","has coordinates,has disorder","286103","2023-09-05","19:38:49",""
"7247006","11.2602","0.0007","12.0576","0.0007","12.2932","0.0007","78.341","0.003","78.639","0.003","63.154","0.003","1447.73","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H48 Eu2 N6 O14 -","- C66 H48 Eu2 N6 O14 -","- C66 H48 Eu2 N6 O14 -","1","0.5","","Arteaga, Ana; Lulich, Alice; Nyman, May; Surbella, Robert G.","Designing scintillating coordination polymers using a dual-ligand synthetic approach","CrystEngComm","2023","25","32","4496","4502","10.1039/D3CE00358B","","x-ray","0.71073","MoKα","","0.0719","0.0661","","","0.1753","0.1796","","","","","","1.147","","","","has coordinates","286103","2023-09-05","19:38:49",""
"7247007","9.7558","0.0001","18.2307","0.0001","18.7616","0.0001","90","","101.188","0.001","90","","3273.43","0.04","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H24 Eu N3 O8 -","- C39 H24 Eu N3 O8 -","- C156 H96 Eu4 N12 O32 -","4","1","","Arteaga, Ana; Lulich, Alice; Nyman, May; Surbella, Robert G.","Designing scintillating coordination polymers using a dual-ligand synthetic approach","CrystEngComm","2023","25","32","4496","4502","10.1039/D3CE00358B","","x-ray","1.54184","CuKα","","0.0312","0.0299","","","0.0779","0.079","","","","","","1.066","","","","has coordinates","286103","2023-09-05","19:38:49",""
"7247008","10.9554","0.0006","18.3762","0.001","19.9036","0.001","90","","100.718","0.001","90","","3937.1","0.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H32 Au3 N10 Nd O8 -","- C30 H32 Au3 N10 Nd O8 -","- C120 H128 Au12 N40 Nd4 O32 -","4","0.5","","Brown, Matthew L.; Karpiuk, Thomas E.; Leznoff, Daniel B.","Emissive lanthanide dicyanoaurate coordination polymers with 2,2′-bipyridine dioxide antenna groups and their hydration states","CrystEngComm","2023","25","33","4658","4668","10.1039/D3CE00583F","","","0.71073","MoKα","","0.071","0.0364","","","0.0493","0.0562","","","","","","0.987","","","","has coordinates,has disorder","286104","2023-09-05","19:39:41",""
"7247009","7.8419","0.0006","19.2528","0.0015","23.7526","0.0018","90","","91.512","0.001","90","","3584.9","0.5","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H56 Au6 N20 O20 Sm Tb -","- C52 H56 Au5.998 N20 O20 Sm Tb -","- C104 H112 Au11.996 N40 O40 Sm2 Tb2 -","2","0.25","","Brown, Matthew L.; Karpiuk, Thomas E.; Leznoff, Daniel B.","Emissive lanthanide dicyanoaurate coordination polymers with 2,2′-bipyridine dioxide antenna groups and their hydration states","CrystEngComm","2023","25","33","4658","4668","10.1039/D3CE00583F","","","0.71073","MoKα","","0.0418","0.0313","","","0.0652","0.0682","","","","","","1.097","","","","has coordinates,has disorder","286104","2023-09-05","19:39:41",""
"7247010","7.8552","0.0015","19.264","0.003","23.773","0.004","90","","91.419","0.007","90","","3596.3","1.1","180","2","180","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 Au3 N10 O10 Tb -","- C26 H28 Au3 N10 O10 Tb -","- C104 H112 Au12 N40 O40 Tb4 -","4","0.5","","Brown, Matthew L.; Karpiuk, Thomas E.; Leznoff, Daniel B.","Emissive lanthanide dicyanoaurate coordination polymers with 2,2′-bipyridine dioxide antenna groups and their hydration states","CrystEngComm","2023","25","33","4658","4668","10.1039/D3CE00583F","","","0.71073","MoKα","","0.0609","0.0387","","","0.0861","0.0947","","","","","","1.036","","","","has coordinates,has disorder","286104","2023-09-05","19:39:41",""
"7247011","10.854","0.002","18.197","0.003","19.849","0.004","90","","99.778","0.003","90","","3863.4","1.2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H32 Au3 Ce N10 O8 -","- C30 H32 Au3 Ce N10 O8 -","- C120 H128 Au12 Ce4 N40 O32 -","4","0.5","","Brown, Matthew L.; Karpiuk, Thomas E.; Leznoff, Daniel B.","Emissive lanthanide dicyanoaurate coordination polymers with 2,2′-bipyridine dioxide antenna groups and their hydration states","CrystEngComm","2023","25","33","4658","4668","10.1039/D3CE00583F","","","0.71073","MoKα","","0.0352","0.0253","","","0.0496","0.0522","","","","","","1.017","","","","has coordinates,has disorder","286104","2023-09-05","19:39:41",""
"7247012","7.8699","0.0007","19.2577","0.0014","23.7813","0.0017","90","","91.485","0.004","90","","3603","0.5","230","","230","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 Au3 N10 O10 Sm0.41 Tb0.59 -","- C26 H28 Au3 N10 O10 Sm0.403 Tb0.597 -","- C104 H112 Au12 N40 O40 Sm1.612 Tb2.388 -","4","0.5","","Brown, Matthew L.; Karpiuk, Thomas E.; Leznoff, Daniel B.","Emissive lanthanide dicyanoaurate coordination polymers with 2,2′-bipyridine dioxide antenna groups and their hydration states","CrystEngComm","2023","25","33","4658","4668","10.1039/D3CE00583F","","","0.71073","MoKα","","0.0312","0.0249","","","0.0543","0.0564","","","","","","1.037","","","","has coordinates,has disorder","286104","2023-09-05","19:39:41",""
"7247013","7.958","0.0007","10.2731","0.001","23.067","0.002","89.082","0.004","85.457","0.004","70.612","0.002","1773.2","0.3","190","","190","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H26 Au3 N10 Nd O9 -","- C26 H26 Au3 N10 Nd O9 -","- C52 H52 Au6 N20 Nd2 O18 -","2","1","","Brown, Matthew L.; Karpiuk, Thomas E.; Leznoff, Daniel B.","Emissive lanthanide dicyanoaurate coordination polymers with 2,2′-bipyridine dioxide antenna groups and their hydration states","CrystEngComm","2023","25","33","4658","4668","10.1039/D3CE00583F","","","0.71073","MoKα","","0.0926","0.0633","","","0.1616","0.1775","","","","","","1.027","","","","has coordinates","286104","2023-09-05","19:39:41",""
"7247014","7.8884","0.0008","10.2453","0.001","23.058","0.002","89.15","0.002","85.419","0.002","70.588","0.002","1751.8","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H26 Au3 N10 O9 Sm0.79 Tb0.22 -","- C26 H26 Au3.0002 N10 O9 Sm0.784 Tb0.216 -","- C52 H52 Au6.0004 N20 O18 Sm1.568 Tb0.432 -","2","1","","Brown, Matthew L.; Karpiuk, Thomas E.; Leznoff, Daniel B.","Emissive lanthanide dicyanoaurate coordination polymers with 2,2′-bipyridine dioxide antenna groups and their hydration states","CrystEngComm","2023","25","33","4658","4668","10.1039/D3CE00583F","","","0.71073","MoKα","","0.0504","0.0306","","","0.0434","0.0472","","","","","","1.015","","","","has coordinates,has disorder","286104","2023-09-05","19:39:41",""
"7247015","10.9102","0.0009","18.2189","0.0015","19.7594","0.0018","90","","100.364","0.003","90","","3863.5","0.6","230","","230","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H32 Au3 N10 O8 Sm -","- C30 H32 Au3 N10 O8 Sm -","- C120 H128 Au12 N40 O32 Sm4 -","4","0.5","","Brown, Matthew L.; Karpiuk, Thomas E.; Leznoff, Daniel B.","Emissive lanthanide dicyanoaurate coordination polymers with 2,2′-bipyridine dioxide antenna groups and their hydration states","CrystEngComm","2023","25","33","4658","4668","10.1039/D3CE00583F","","","0.71073","MoKα","","0.0359","0.0258","","","0.0535","0.0563","","","","","","1.029","","","","has coordinates","286104","2023-09-05","19:39:41",""
"7247016","10.8731","0.0005","18.0339","0.0009","19.5988","0.0011","90","","99.557","0.002","90","","3789.7","0.3","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C60 H64 Au6 N20 O16 Sm Tb -","- C60 H64 Au6 N20 O16 Sm Tb -","- C120 H128 Au12 N40 O32 Sm2 Tb2 -","2","0.25","","Brown, Matthew L.; Karpiuk, Thomas E.; Leznoff, Daniel B.","Emissive lanthanide dicyanoaurate coordination polymers with 2,2′-bipyridine dioxide antenna groups and their hydration states","CrystEngComm","2023","25","33","4658","4668","10.1039/D3CE00583F","","","0.71073","MoKα","","0.0201","0.0178","","","0.0366","0.0372","","","","","","1.096","","","","has coordinates,has disorder","286104","2023-09-05","19:39:41",""
"7247017","10.8792","0.0006","17.9625","0.001","19.5519","0.0012","90","","99.575","0.002","90","","3767.6","0.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H32 Au3 Dy N10 O8 -","- C30 H32 Au3 Dy N10 O8 -","- C120 H128 Au12 Dy4 N40 O32 -","4","0.5","","Brown, Matthew L.; Karpiuk, Thomas E.; Leznoff, Daniel B.","Emissive lanthanide dicyanoaurate coordination polymers with 2,2′-bipyridine dioxide antenna groups and their hydration states","CrystEngComm","2023","25","33","4658","4668","10.1039/D3CE00583F","","","0.71073","MoKα","","0.032","0.0303","","","0.0785","0.0797","","","","","","1.086","","","","has coordinates","286104","2023-09-05","19:39:41",""
"7247018","7.8704","0.0017","19.268","0.005","23.801","0.006","90","","91.576","0.009","90","","3608","1.5","180","2","180","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 Au3 Eu N10 O10 -","- C26 H28 Au2.999 Eu N10 O10 -","- C104 H112 Au11.996 Eu4 N40 O40 -","4","0.5","","Brown, Matthew L.; Karpiuk, Thomas E.; Leznoff, Daniel B.","Emissive lanthanide dicyanoaurate coordination polymers with 2,2′-bipyridine dioxide antenna groups and their hydration states","CrystEngComm","2023","25","33","4658","4668","10.1039/D3CE00583F","","x-ray","0.71073","MoKα","","0.0721","0.0347","","","0.0558","0.0628","","","","","","1.02","","","","has coordinates,has disorder","286104","2023-09-05","19:39:41",""
"7247019","10.8939","0.0006","17.908","0.001","19.463","0.001","90","","99.59","0.001","90","","3743.9","0.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H32 Au3 N10 O8 Yb -","- C30 H32 Au3 N10 O8 Yb -","- C120 H128 Au12 N40 O32 Yb4 -","4","0.5","","Brown, Matthew L.; Karpiuk, Thomas E.; Leznoff, Daniel B.","Emissive lanthanide dicyanoaurate coordination polymers with 2,2′-bipyridine dioxide antenna groups and their hydration states","CrystEngComm","2023","25","33","4658","4668","10.1039/D3CE00583F","","","0.71073","MoKα","","0.0245","0.0208","","","0.0452","0.0464","","","","","","1.079","","","","has coordinates","286104","2023-09-05","19:39:41",""
"7247020","7.7711","0.0013","19.156","0.003","23.765","0.004","90","","91.03","0.003","90","","3537.2","1","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 Au3 N10 O10 Yb -","- C26 H28 Au3.001 N10 O10 Yb -","- C104 H112 Au12.004 N40 O40 Yb4 -","4","0.5","","Brown, Matthew L.; Karpiuk, Thomas E.; Leznoff, Daniel B.","Emissive lanthanide dicyanoaurate coordination polymers with 2,2′-bipyridine dioxide antenna groups and their hydration states","CrystEngComm","2023","25","33","4658","4668","10.1039/D3CE00583F","","","0.71073","MoKα","","0.0302","0.0246","","","0.0515","0.0538","","","","","","1.068","","","","has coordinates,has disorder","286104","2023-09-05","19:39:41",""
"7247021","10.887","0.0007","18.0157","0.0013","19.5884","0.0014","90","","99.626","0.003","90","","3787.9","0.5","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H32 Au3 N10 O8 Tb -","- C30 H32 Au3 N10 O8 Tb -","- C120 H128 Au12 N40 O32 Tb4 -","4","0.5","","Brown, Matthew L.; Karpiuk, Thomas E.; Leznoff, Daniel B.","Emissive lanthanide dicyanoaurate coordination polymers with 2,2′-bipyridine dioxide antenna groups and their hydration states","CrystEngComm","2023","25","33","4658","4668","10.1039/D3CE00583F","","x-ray","0.71073","MoKα","","0.0438","0.0362","","","0.1234","0.1307","","","","","","1.047","","","","has coordinates","286104","2023-09-05","19:39:41",""
"7247022","10.8683","0.0005","18.0285","0.0007","19.6168","0.001","90","","99.538","0.002","90","","3790.6","0.3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H32 Au3 Eu N10 O8 -","- C30 H32 Au3 Eu N10 O8 -","- C120 H128 Au12 Eu4 N40 O32 -","4","0.5","","Brown, Matthew L.; Karpiuk, Thomas E.; Leznoff, Daniel B.","Emissive lanthanide dicyanoaurate coordination polymers with 2,2′-bipyridine dioxide antenna groups and their hydration states","CrystEngComm","2023","25","33","4658","4668","10.1039/D3CE00583F","","","0.71073","MoKα","","0.0328","0.0291","","","0.0686","0.07","","","","","","1.094","","","","has coordinates","286104","2023-09-05","19:39:41",""
"7247024","17.7843","0.0002","34.8725","0.0004","7.54963","0.00009","90","","90","","90","","4682.15","0.09","293","2","293","2","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- C28 H23 N5 O -","- C28 H23 N5 O -","- C224 H184 N40 O8 -","8","1","","Sun, Xuancheng; Li, Chaoxiong; Meng, Xianggao; Wang, Dunjia; Zheng, Chunyang","A highly thermal and pH-stable fluorescence sensor for rapid detection of Hg2+, Fe3+, and tetracycline in aqueous solutions","CrystEngComm","2023","25","32","4531","4538","10.1039/D3CE00571B","","x-ray","1.54184","CuKα","","0.0414","0.0405","","","0.1137","0.1154","","","","","","1.049","","","","has coordinates","286099","2023-09-05","19:37:45",""
"7247025","20.8701","0.0007","20.0485","0.0007","15.1301","0.0005","90","","114.052","0.001","90","","5781","0.3","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H24 Cd N6 O4 -","- C35 H24 Cd N6 O4 -","- C280 H192 Cd8 N48 O32 -","8","1","","Sun, Xuancheng; Li, Chaoxiong; Meng, Xianggao; Wang, Dunjia; Zheng, Chunyang","A highly thermal and pH-stable fluorescence sensor for rapid detection of Hg2+, Fe3+, and tetracycline in aqueous solutions","CrystEngComm","2023","25","32","4531","4538","10.1039/D3CE00571B","","x-ray","1.34139","Synchrotron","GaKα","0.0392","0.0292","","","0.0754","0.079","","","","","","1.078","","","","has coordinates,has disorder","286099","2023-09-05","19:37:46",""
"7247026","3.9472","0.0002","3.9472","0.0002","15.2401","0.0001","90","","90","","90","","237.447","0.017","","","30","","","","","","","","","3","I 4/m m m","-I 4 2","139","Cesium iron selenide (0.82/1.62/2)","","","- Cs0.82 Fe1.62 Se2 -","- Cs0.82 Fe1.62 Se2 -","- Cs1.64 Fe3.24 Se4 -","2","0.0625","","Faraonov, Maxim A.; Yudanova, Evgeniya I.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Troyanov, Sergey I.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Synthesis, structure and properties of coordination complexes of tin(ii) phthalocyanine and naphthalocyanine with transition metal fragments","CrystEngComm","2023","25","33","4620","4637","10.1039/D3CE00564J","","","","","","","","","","","","","","","","","","","","","has coordinates","286107","2023-09-05","19:40:38",""
"7247027","12.575","0.001","26.24","0.002","14.684","0.001","90","","102.485","0.01","90","","4730.7","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H52 Fe N9 O4 Sn -","- C52 H52 Fe N9 O4 Sn -","- C208 H208 Fe4 N36 O16 Sn4 -","4","1","","Faraonov, Maxim A.; Yudanova, Evgeniya I.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Troyanov, Sergey I.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Synthesis, structure and properties of coordination complexes of tin(ii) phthalocyanine and naphthalocyanine with transition metal fragments","CrystEngComm","2023","25","33","4620","4637","10.1039/D3CE00564J","","","0.895","synchrotron","","0.0548","0.0411","","","0.1043","0.1135","","","","","","1.035","","","","has coordinates,has disorder","286107","2023-09-05","19:40:39",""
"7247028","16.45","0.001","27.473","0.003","18.743","0.002","90","","104.441","0.01","90","","8202.9","1.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C95 H53 Cl8 Mo N16 O2 Sn2 -","- C95 H53 Cl8 Mo N16 O2 Sn2 -","- C380 H212 Cl32 Mo4 N64 O8 Sn8 -","4","1","","Faraonov, Maxim A.; Yudanova, Evgeniya I.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Troyanov, Sergey I.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Synthesis, structure and properties of coordination complexes of tin(ii) phthalocyanine and naphthalocyanine with transition metal fragments","CrystEngComm","2023","25","33","4620","4637","10.1039/D3CE00564J","","","0.895","synchrotron","","0.2431","0.1281","","","0.3251","0.3704","","","","","","1.193","","","","has coordinates","286107","2023-09-05","19:40:39",""
"7247029","12.9659","0.0004","18.5545","0.0003","14.3959","0.0003","90","","104.36","0.002","90","","3355.1","0.14","120","1","120","1","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C70 H72 Cl5 Ir N10 Na O6 Sn -","- C70 H72 Cl5 Ir N10 Na O6 Sn -","- C140 H144 Cl10 Ir2 N20 Na2 O12 Sn2 -","2","1","","Faraonov, Maxim A.; Yudanova, Evgeniya I.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Troyanov, Sergey I.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Synthesis, structure and properties of coordination complexes of tin(ii) phthalocyanine and naphthalocyanine with transition metal fragments","CrystEngComm","2023","25","33","4620","4637","10.1039/D3CE00564J","","x-ray","0.71073","MoKα","","0.0281","0.0259","","","0.0578","0.0587","","","","","","1.035","","","","has coordinates,has disorder","286107","2023-09-05","19:40:39",""
"7247030","12.1076","0.0003","12.5476","0.0003","13.9976","0.0003","99.14","0.002","103.14","0.002","109.704","0.002","1884.19","0.09","130","1","130","1","","","","","","","","7","P -1","-P 1","2","","","","- C46 H25 Cl2 N8 O3 Sn V -","- C45.9994 H24.9996 Cl1.9998 N8 O3 Sn V -","- C91.9988 H49.9992 Cl3.9996 N16 O6 Sn2 V2 -","2","1","","Faraonov, Maxim A.; Yudanova, Evgeniya I.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Troyanov, Sergey I.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Synthesis, structure and properties of coordination complexes of tin(ii) phthalocyanine and naphthalocyanine with transition metal fragments","CrystEngComm","2023","25","33","4620","4637","10.1039/D3CE00564J","","x-ray","0.71073","MoKα","","0.0203","0.0184","","","0.0482","0.0492","","","","","","1.059","","","","has coordinates,has disorder","286107","2023-09-05","19:40:39",""
"7247031","36.653","0.003","21.7587","0.0018","28.04","0.003","90","","120.978","0.002","90","","19173","3","120","1","120","1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C101.5 H83 Cl5.5 N18 Na O6 Ru Sn2 -","- C101.5 H83 Cl5.5 N18 Na O6 Ru Sn2 -","- C812 H664 Cl44 N144 Na8 O48 Ru8 Sn16 -","8","1","","Faraonov, Maxim A.; Yudanova, Evgeniya I.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Troyanov, Sergey I.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Synthesis, structure and properties of coordination complexes of tin(ii) phthalocyanine and naphthalocyanine with transition metal fragments","CrystEngComm","2023","25","33","4620","4637","10.1039/D3CE00564J","","x-ray","0.71073","MoKα","","0.1728","0.1131","","","0.2292","0.2625","","","","","","1.149","","","","has coordinates,has disorder","286107","2023-09-05","19:40:39",""
"7247032","14.8478","0.0002","12.6529","0.0001","23.7022","0.0002","90","","91.224","0.001","90","","4451.86","0.08","130","2","130","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H35 Cl2 I2 Ir N8 Sn -","- C48 H35 Cl2 I2 Ir N8 Sn -","- C192 H140 Cl8 I8 Ir4 N32 Sn4 -","4","1","","Faraonov, Maxim A.; Yudanova, Evgeniya I.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Troyanov, Sergey I.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Synthesis, structure and properties of coordination complexes of tin(ii) phthalocyanine and naphthalocyanine with transition metal fragments","CrystEngComm","2023","25","33","4620","4637","10.1039/D3CE00564J","","x-ray","0.71073","MoKα","","0.0229","0.0219","","","0.0534","0.0537","","","","","","1.118","","","","has coordinates","286107","2023-09-05","19:40:39",""
"7247033","12.8043","0.0008","11.4261","0.0007","25.2186","0.0017","90","","103.808","0.006","90","","3582.9","0.4","100","0.8","100","0.8","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H31 Cl2 Ir N8 Sn -","- C42 H31 Cl2 Ir N8 Sn -","- C168 H124 Cl8 Ir4 N32 Sn4 -","4","1","","Faraonov, Maxim A.; Yudanova, Evgeniya I.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Troyanov, Sergey I.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Synthesis, structure and properties of coordination complexes of tin(ii) phthalocyanine and naphthalocyanine with transition metal fragments","CrystEngComm","2023","25","33","4620","4637","10.1039/D3CE00564J","","x-ray","0.71073","MoKα","","0.1271","0.0724","","","0.1171","0.1364","","","","","","1.054","","","","has coordinates","286107","2023-09-05","19:40:39",""
"7247034","12.197","0.0003","12.7088","0.0003","13.9744","0.0003","99.379","0.002","104.646","0.002","109.904","0.002","1895.3","0.09","150","1","150","1","","","","","","","","7","P -1","-P 1","2","","","","- C45 H25 Cl3 Mo N8 O2 Sn -","- C45 H25 Cl3 Mo N8 O2 Sn -","- C90 H50 Cl6 Mo2 N16 O4 Sn2 -","2","1","","Faraonov, Maxim A.; Yudanova, Evgeniya I.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Troyanov, Sergey I.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Synthesis, structure and properties of coordination complexes of tin(ii) phthalocyanine and naphthalocyanine with transition metal fragments","CrystEngComm","2023","25","33","4620","4637","10.1039/D3CE00564J","","x-ray","0.71073","MoKα","","0.0349","0.0304","","","0.0744","0.077","","","","","","1.037","","","","has coordinates,has disorder","286107","2023-09-05","19:40:39",""
"7247035","22.3297","0.0005","12.2594","0.0003","26.799","0.0008","90","","110.193","0.003","90","","6885.3","0.3","150","1","150","1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C74 H69 Cl4 Co I2 Ir N8 Sn -","- C74 H69 Cl4 Co I2 Ir N8 Sn -","- C296 H276 Cl16 Co4 I8 Ir4 N32 Sn4 -","4","1","","Faraonov, Maxim A.; Yudanova, Evgeniya I.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Troyanov, Sergey I.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Synthesis, structure and properties of coordination complexes of tin(ii) phthalocyanine and naphthalocyanine with transition metal fragments","CrystEngComm","2023","25","33","4620","4637","10.1039/D3CE00564J","","x-ray","0.71073","MoKα","","0.0947","0.0804","","","0.2076","0.2176","","","","","","1.114","","","","has coordinates,has disorder","286107","2023-09-05","19:40:39",""
"7247036","16.1813","0.0018","14.7119","0.0008","37.959","0.002","109.856","0.005","98.694","0.007","95.271","0.007","8301.3","1.2","100","2","100","2","","","","","","","no","8","P -1","-P 1","2","","Decamethylchromosenium salt of tin(II) naphthalocyanine coordinated Ir4(CO)11 cluster, dichlorobenzene solvate","","- C91 H62 Cl4 Cr Ir4 N8 O11 Sn -","- C91 H62 Cl4 Cr Ir4 N8 O11 Sn -","- C364 H248 Cl16 Cr4 Ir16 N32 O44 Sn4 -","4","2","","Faraonov, Maxim A.; Yudanova, Evgeniya I.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Troyanov, Sergey I.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Synthesis, structure and properties of coordination complexes of tin(ii) phthalocyanine and naphthalocyanine with transition metal fragments","CrystEngComm","2023","25","33","4620","4637","10.1039/D3CE00564J","","x-ray","0.71073","MoKα","","0.2689","0.1638","","","0.3552","0.3897","","","","","","0.991","","","","has coordinates,has disorder","286107","2023-09-05","19:40:39",""
"7247037","16.9638","0.0003","19.8243","0.0003","19.9815","0.0003","90","","96.196","0.001","90","","6680.43","0.19","100","1","100","1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C69 H50 Cl2 Cr Ir4 N8 O11 Sn -","- C69 H50 Cl2 Cr Ir4 N8 O11 Sn -","- C276 H200 Cl8 Cr4 Ir16 N32 O44 Sn4 -","4","1","","Faraonov, Maxim A.; Yudanova, Evgeniya I.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Troyanov, Sergey I.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Synthesis, structure and properties of coordination complexes of tin(ii) phthalocyanine and naphthalocyanine with transition metal fragments","CrystEngComm","2023","25","33","4620","4637","10.1039/D3CE00564J","","x-ray","0.71073","MoKα","","0.0428","0.0295","","","0.0535","0.0569","","","","","","1.042","","","","has coordinates","286107","2023-09-05","19:40:39",""
"7247038","22.7101","0.0006","14.5414","0.0008","39.6766","0.0016","90","","90","","90","","13102.7","1","150","2","150","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C132 H120 Cl8 Fe2 K2 N20 O20 Sn2 -","- C132 H120 Cl8 Fe2 K2 N20 O20 Sn2 -","- C528 H480 Cl32 Fe8 K8 N80 O80 Sn8 -","4","1","","Faraonov, Maxim A.; Yudanova, Evgeniya I.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Troyanov, Sergey I.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Synthesis, structure and properties of coordination complexes of tin(ii) phthalocyanine and naphthalocyanine with transition metal fragments","CrystEngComm","2023","25","33","4620","4637","10.1039/D3CE00564J","","x-ray","0.71073","MoKα","","0.1381","0.0773","","","0.1367","0.1596","","","","","","1.063","","","","has coordinates,has disorder","286107","2023-09-05","19:40:39",""
"7247046","7.703","0.007","9.477","0.009","10.206","0.01","112.963","0.012","102.917","0.013","95.919","0.013","653.4","1.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H24 Co N10 O4 S2 -","- C20 H24 Co N10 O4 S2 -","- C20 H24 Co N10 O4 S2 -","1","0.5","","Wang, Sen; Xie, Fengxia; Zhang, Shiwen; Liang, Xiaoqiang; Gao, Qianhang; Chen, Yu; Zhang, Feng; Wen, Chen; Feng, Lei; Wan, Chengan","Water-assisted proton conduction regulated by hydrophilic groups in metallo-hydrogen-bonded organic frameworks: “like-attracts-like” between hydrophilic groups and water molecules","CrystEngComm","2023","25","33","4701","4715","10.1039/D3CE00438D","","","0.71073","MoKα","","0.0343","0.032","","","0.0944","0.0977","","","","","","0.978","","","","has coordinates","286108","2023-09-05","19:40:47",""
"7247047","7.8166","0.0016","11.069","0.002","11.929","0.002","72.386","0.003","78.707","0.003","80.019","0.003","957.5","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H32 Co N18 S2 -","- C38 H32 Co N18 S2 -","- C38 H32 Co N18 S2 -","1","0.5","","Wang, Sen; Xie, Fengxia; Zhang, Shiwen; Liang, Xiaoqiang; Gao, Qianhang; Chen, Yu; Zhang, Feng; Wen, Chen; Feng, Lei; Wan, Chengan","Water-assisted proton conduction regulated by hydrophilic groups in metallo-hydrogen-bonded organic frameworks: “like-attracts-like” between hydrophilic groups and water molecules","CrystEngComm","2023","25","33","4701","4715","10.1039/D3CE00438D","","","0.71073","MoKα","","0.0395","0.0346","","","0.1016","0.1047","","","","","","1.028","","","","has coordinates","286108","2023-09-05","19:40:47",""
"7247048","8.5226","0.0003","10.0347","0.0004","12.5476","0.0005","77.009","0.002","81.678","0.002","86.51","0.002","1034.17","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H23 N3 O3 -","- C25 H23 N3 O3 -","- C50 H46 N6 O6 -","2","1","","Gogoi, Gayatri; Sarma, Rupam J.","Effect of twisted molecular geometry on the solid-state emissions of an anthracene fluorophore","CrystEngComm","2023","25","32","4582","4591","10.1039/D3CE00481C","","","0.71073","MoKα","","0.0709","0.0508","","","0.1417","0.158","","","","","","1.039","","","","has coordinates","286102","2023-09-05","19:38:26",""
"7247049","12.5066","0.0004","14.8096","0.0005","18.3306","0.0007","90","","90","","90","","3395.2","0.2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H18 N2 O3 -","- C22 H18 N2 O3 -","- C176 H144 N16 O24 -","8","1","","Gogoi, Gayatri; Sarma, Rupam J.","Effect of twisted molecular geometry on the solid-state emissions of an anthracene fluorophore","CrystEngComm","2023","25","32","4582","4591","10.1039/D3CE00481C","","","0.71073","MoKα","","0.0678","0.0466","","","0.1152","0.1278","","","","","","1.063","","","","has coordinates","286102","2023-09-05","19:38:26",""
"7247050","11.3394","0.0008","11.345","0.0008","14.9825","0.001","77.424","0.005","86.116","0.004","67.045","0.004","1731.9","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H32 N4 O4 -","- C44 H32 N4 O4 -","- C88 H64 N8 O8 -","2","1","","Gogoi, Gayatri; Sarma, Rupam J.","Effect of twisted molecular geometry on the solid-state emissions of an anthracene fluorophore","CrystEngComm","2023","25","32","4582","4591","10.1039/D3CE00481C","","","0.71073","MoKα","","0.1413","0.0723","","","0.1724","0.2116","","","","","","1.061","","","","has coordinates","286102","2023-09-05","19:38:26",""
"7247051","7.9976","0.0005","8.4028","0.0005","12.3149","0.0008","75.304","0.003","71.879","0.003","81.037","0.003","758.14","0.08","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H15 F3 N2 O3 S -","- C14 H15 F3 N2 O3 S -","- C28 H30 F6 N4 O6 S2 -","2","1","","Lohar, Vishal A.; Menon, Anila M.; Suresh, Ajay; Chopra, Deepak","Role of mechanochemical synthesis in the crystal chemistry of leflunomide","CrystEngComm","2023","25","34","4779","4792","10.1039/D3CE00373F","","","0.71073","MoKα","","0.0378","0.0338","","","0.0977","0.1002","","","","","","1.055","","","","has coordinates","286122","2023-09-05","19:44:01",""
"7247052","10.8564","0.0014","7.7062","0.0009","38.699","0.005","90","","90","","90","","3237.6","0.7","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H19 F3 N4 O2 -","- C16 H19 F3 N4 O2 -","- C128 H152 F24 N32 O16 -","8","1","","Lohar, Vishal A.; Menon, Anila M.; Suresh, Ajay; Chopra, Deepak","Role of mechanochemical synthesis in the crystal chemistry of leflunomide","CrystEngComm","2023","25","34","4779","4792","10.1039/D3CE00373F","","","0.71073","MoKα","","0.19","0.0959","","","0.2089","0.2374","","","","","","1.036","","","","has coordinates,has disorder","286122","2023-09-05","19:44:02",""
"7247053","14.6222","0.0016","5.5787","0.0006","14.6298","0.0016","90","","144.34","0.01","90","","695.7","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H6 N4 O4 -","- C4 H6 N4 O4 -","- C16 H24 N16 O16 -","4","1","","Gaur, Ruchi","Polymorphism in parabanic acid-urea cocrystals governed by supramolecular synthons: a comparative analysis","CrystEngComm","2023","25","33","4680","4689","10.1039/D3CE00258F","","","0.71073","MoKα","","0.0336","0.0315","","","0.0782","0.0794","","","","","","1.091","","","","has coordinates","286110","2023-09-05","19:41:07",""
"7247054","6.78","0.002","10.046","0.003","10.579","0.003","90","","104.986","0.007","90","","696","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H6 N4 O4 -","- C4 H6 N4 O4 -","- C16 H24 N16 O16 -","4","1","","Gaur, Ruchi","Polymorphism in parabanic acid-urea cocrystals governed by supramolecular synthons: a comparative analysis","CrystEngComm","2023","25","33","4680","4689","10.1039/D3CE00258F","","","0.71073","MoKα","","0.0575","0.0482","","","0.1064","0.1109","","","","","","1.215","","","","has coordinates","286110","2023-09-05","19:41:08",""
"7247055","7.2373","0.0005","11.5245","0.0008","12.2725","0.0008","70.605","0.002","84.799","0.002","76.466","0.002","938.61","0.11","140","","140","","","","","","","","","5","P -1","-P 1","2","Bis(Ciprofloxacin) oxalic acid oxalate dihydrate","","","- C19 H22 F N3 O8 -","- C19 H22 F N3 O8 -","- C38 H44 F2 N6 O16 -","2","1","","Rapeenun, Peerapon; Nalaoh, Phattananawee; Promarak, Vinich; Flood, Adrian E.","Improving aqueous solubility of ciprofloxacin: three different stoichiometric hydrated salt forms with oxalic acid","CrystEngComm","2023","25","31","4461","4469","10.1039/D3CE00514C","","x-ray","0.71073","MoKα","","0.0366","0.0334","","","0.0906","0.0929","","","","","","1.025","","","","has coordinates","286117","2023-09-05","19:42:47",""
"7247056","7.1349","0.0008","11.9568","0.0014","12.32","0.0013","77.766","0.004","89.132","0.004","82.126","0.004","1017.4","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","Bis(Ciprofloxacin) oxalic acid dioxalate dihydrate","","","- C20 H23 F N3 O10 -","- C20 H23 F N3 O10 -","- C40 H46 F2 N6 O20 -","2","1","","Rapeenun, Peerapon; Nalaoh, Phattananawee; Promarak, Vinich; Flood, Adrian E.","Improving aqueous solubility of ciprofloxacin: three different stoichiometric hydrated salt forms with oxalic acid","CrystEngComm","2023","25","31","4461","4469","10.1039/D3CE00514C","","x-ray","0.71073","MoKα","","0.0475","0.0353","","","0.0864","0.0916","","","","","","1.03","","","","has coordinates","286117","2023-09-05","19:42:48",""
"7247057","13.7549","0.0018","13.9237","0.0019","30.361","0.004","90.753","0.005","93.648","0.004","94.741","0.005","5782.1","1.3","100","","100","","","","","","","","","5","P -1","-P 1","2","Hexa-Ciprofloxacin tri-oxalate dihydrate","","","- C108 H118 F6 N18 O32 -","- C108 H118 F6 N18 O32 -","- C216 H236 F12 N36 O64 -","2","1","","Rapeenun, Peerapon; Nalaoh, Phattananawee; Promarak, Vinich; Flood, Adrian E.","Improving aqueous solubility of ciprofloxacin: three different stoichiometric hydrated salt forms with oxalic acid","CrystEngComm","2023","25","31","4461","4469","10.1039/D3CE00514C","","x-ray","0.71073","MoKα","","0.0577","0.0405","","","0.1023","0.1092","","","","","","1.04","","","","has coordinates,has disorder","286117","2023-09-05","19:42:48",""
"7247058","19.785","0.004","18.079","0.004","16.343","0.003","90","","115.629","0.007","90","","5270.6","1.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H54 F12 N6 O4 -","- C54 H54 F12 N6 O4 -","- C216 H216 F48 N24 O16 -","4","0.5","","Saied, Rajaa; Alves, Paula C.; Rijo, Patrícia; André, Vânia; Alves, Luis G.","Novel cyclam multicomponent crystal forms: synthesis, characterization and antimicrobial activity","CrystEngComm","2023","25","41","5787","5795","10.1039/D3CE00354J","","","0.71073","MoKα","","0.1441","0.0887","","","0.2464","0.2799","","","","","","1.064","","","","has coordinates,has disorder","287334","2023-11-06","07:22:45",""
"7247059","10.8811","0.0017","11.1873","0.0017","16.516","0.002","70.972","0.006","71.325","0.006","85.357","0.007","1800","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C76 H96 N8 O12 -","- C76 H96 N8 O12 -","- C76 H96 N8 O12 -","1","0.5","","Saied, Rajaa; Alves, Paula C.; Rijo, Patrícia; André, Vânia; Alves, Luis G.","Novel cyclam multicomponent crystal forms: synthesis, characterization and antimicrobial activity","CrystEngComm","2023","25","41","5787","5795","10.1039/D3CE00354J","","","0.71073","MoKα","","0.1637","0.0857","","","0.2495","0.2907","","","","","","1.088","","","","has coordinates","287334","2023-11-06","07:22:59",""
"7247060","15.7903","0.0011","16.4942","0.001","19.737","0.0014","90","","110.881","0.003","90","","4802.9","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H56 F6 N6 O4 -","- C52 H56 F6 N6 O4 -","- C208 H224 F24 N24 O16 -","4","1","","Saied, Rajaa; Alves, Paula C.; Rijo, Patrícia; André, Vânia; Alves, Luis G.","Novel cyclam multicomponent crystal forms: synthesis, characterization and antimicrobial activity","CrystEngComm","2023","25","41","5787","5795","10.1039/D3CE00354J","","","0.71073","MoKα","","0.1086","0.0609","","","0.1453","0.1672","","","","","","1.055","","","","has coordinates,has disorder","287334","2023-11-06","07:23:08",""
"7247061","10.352","0.002","18.345","0.004","20.704","0.005","90","","93.095","0.009","90","","3926.1","1.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H46 F6 N4 O6 -","- C40 H46 F6 N4 O6 -","- C160 H184 F24 N16 O24 -","4","1","","Saied, Rajaa; Alves, Paula C.; Rijo, Patrícia; André, Vânia; Alves, Luis G.","Novel cyclam multicomponent crystal forms: synthesis, characterization and antimicrobial activity","CrystEngComm","2023","25","41","5787","5795","10.1039/D3CE00354J","","","0.71073","MoKα","","0.1031","0.0605","","","0.1438","0.1606","","","","","","1.055","","","","has coordinates,has disorder","287334","2023-11-06","07:23:25",""
"7247070","9.8457","0.0019","10.6763","0.0019","14.355","0.003","90","","115.832","0.006","90","","1358.2","0.5","293","","293","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[Co2L2Cl2]","","- C24 H26 Br2 Cl2 Co2 N4 O2 -","- C24 H26 Br2 Cl2 Co2 N4 O2 -","- C48 H52 Br4 Cl4 Co4 N8 O4 -","2","0.5","","Luo, Tong-Kai; Zhong, Xiang; Zhang, Qing-Yun; Chen, Xiao-Feng; Xu, Hui; Peng, Yan; Liu, Sui-Jun; Hu, Zhao-Bo; Wen, He-Rui","Effect of remote substituents and coordination anions on the magnetic properties of Co(ii) dimer complexes","CrystEngComm","2023","25","34","4873","4878","10.1039/D3CE00523B","","","0.71073","MoKα","","0.1792","0.105","","","0.2502","0.2855","","","","","","1.0793","","","","has coordinates","286120","2023-09-05","19:43:40",""
"7247071","7.3125","0.0004","9.9783","0.0006","11.6624","0.0007","71.043","0.002","80.28","0.002","77.336","0.002","780.82","0.08","293","","293","","","","","","","","","6","P -1","-P 1","2","","[Co2L1(acac)2]?2MeCN","","- C28 H36 Cl2 Co2 N6 O2 -","- C28 H36 Cl2 Co2 N6 O2 -","- C28 H36 Cl2 Co2 N6 O2 -","1","0.5","","Luo, Tong-Kai; Zhong, Xiang; Zhang, Qing-Yun; Chen, Xiao-Feng; Xu, Hui; Peng, Yan; Liu, Sui-Jun; Hu, Zhao-Bo; Wen, He-Rui","Effect of remote substituents and coordination anions on the magnetic properties of Co(ii) dimer complexes","CrystEngComm","2023","25","34","4873","4878","10.1039/D3CE00523B","","","0.71073","MoKα","","0.0484","0.0404","","","0.0846","0.0915","","","","","","1.171","","","","has coordinates","286120","2023-09-05","19:43:40",""
"7247072","18.0168","0.001","22.4384","0.0013","9.4282","0.0006","90","","96.955","0.002","90","","3783.5","0.4","273.15","","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Co2L2(acac)2]2","","- C68 H84 Br4 Co4 N8 O12 -","- C68 H84 Br4 Co4 N8 O12 -","- C136 H168 Br8 Co8 N16 O24 -","2","0.5","","Luo, Tong-Kai; Zhong, Xiang; Zhang, Qing-Yun; Chen, Xiao-Feng; Xu, Hui; Peng, Yan; Liu, Sui-Jun; Hu, Zhao-Bo; Wen, He-Rui","Effect of remote substituents and coordination anions on the magnetic properties of Co(ii) dimer complexes","CrystEngComm","2023","25","34","4873","4878","10.1039/D3CE00523B","","","0.71073","MoKα","","0.1564","0.065","","","0.1048","0.1305","","","","","","1.023","","","","has coordinates","286120","2023-09-05","19:43:40",""
"7247073","9.9504","0.0007","10.6442","0.0008","11.3733","0.0008","96.093","0.003","114.41","0.002","108.736","0.002","998.14","0.13","273.15","","273.15","","","","","","","","","5","P -1","-P 1","2","","[Co2L1(acac)2]?2MeCN","","- C38 H50 Co2 N6 O6 -","- C38 H50 Co2 N6 O6 -","- C38 H50 Co2 N6 O6 -","1","0.5","","Luo, Tong-Kai; Zhong, Xiang; Zhang, Qing-Yun; Chen, Xiao-Feng; Xu, Hui; Peng, Yan; Liu, Sui-Jun; Hu, Zhao-Bo; Wen, He-Rui","Effect of remote substituents and coordination anions on the magnetic properties of Co(ii) dimer complexes","CrystEngComm","2023","25","34","4873","4878","10.1039/D3CE00523B","","","0.71073","MoKα","","0.0509","0.0389","","","0.071","0.0746","","","","","","1.0431","","","","has coordinates","286120","2023-09-05","19:43:40",""
"7247089","14.928","0.004","18.059","0.004","20.972","0.005","84.908","0.006","76.202","0.006","78.679","0.006","5379","2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C120 H120 Au4 Cl6 N8 O8 -","- C120 H120 Au4 Cl6 N8 O8 -","- C240 H240 Au8 Cl12 N16 O16 -","2","1","","Bardina, Elena E.; Makotchenko, Eugeniya V.; Birin, Kirill P.; Baidina, Iraida A.; Sukhikh, Taisiya S.; Novikov, Alexander S.; Gorbunova, Yulia G.; Tsivadze, Aslan Yu.; Gushchin, Artem L.","Noncovalent interactions in gold(iii) tetrakis(4-butoxyphenyl)porphyrinate structures","CrystEngComm","2023","25","33","4755","4767","10.1039/D3CE00428G","","","0.71073","MoKα","","0.176","0.101","","","0.2822","0.3543","","","","","","1.155","","","","has coordinates,has disorder","286109","2023-09-05","19:40:59",""
"7247090","16.7951","0.0017","17.6474","0.0017","19.8427","0.0018","77.941","0.003","82.828","0.003","75.258","0.003","5546.1","0.9","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H60 Au2 Cl4 N4 O4 -","- C60 H60 Au2 Cl4 N4 O4 -","- C240 H240 Au8 Cl16 N16 O16 -","4","2","","Bardina, Elena E.; Makotchenko, Eugeniya V.; Birin, Kirill P.; Baidina, Iraida A.; Sukhikh, Taisiya S.; Novikov, Alexander S.; Gorbunova, Yulia G.; Tsivadze, Aslan Yu.; Gushchin, Artem L.","Noncovalent interactions in gold(iii) tetrakis(4-butoxyphenyl)porphyrinate structures","CrystEngComm","2023","25","33","4755","4767","10.1039/D3CE00428G","","","0.71073","MoKα","","0.0609","0.0368","","","0.0784","0.0849","","","","","","1.013","","","","has coordinates,has disorder","286109","2023-09-05","19:41:00",""
"7247091","14.437","0.0007","18.6296","0.0009","22.2485","0.0011","82.428","0.002","79.383","0.002","77.623","0.002","5718.1","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C124 H128 Au4 Cl6 N8 O12 -","- C124 H126 Au4 Cl6 N8 O12 -","- C248 H252 Au8 Cl12 N16 O24 -","2","1","","Bardina, Elena E.; Makotchenko, Eugeniya V.; Birin, Kirill P.; Baidina, Iraida A.; Sukhikh, Taisiya S.; Novikov, Alexander S.; Gorbunova, Yulia G.; Tsivadze, Aslan Yu.; Gushchin, Artem L.","Noncovalent interactions in gold(iii) tetrakis(4-butoxyphenyl)porphyrinate structures","CrystEngComm","2023","25","33","4755","4767","10.1039/D3CE00428G","","","0.71073","MoKα","","0.0708","0.04","","","0.0911","0.1006","","","","","","1.085","","","","has coordinates,has disorder","286109","2023-09-05","19:41:00",""
"7247096","5.2481","0.0012","14.898","0.003","15.184","0.004","90","","90","","90","","1187.2","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H6 N8 O6 -","- C7 H6 N8 O6 -","- C28 H24 N32 O24 -","4","1","","Su, Dongshuai; Cai, Jinxiong; Yin, Ping; Pang, Siping","Regioisomeric N–C functionalization of an asymmetric N-rich framework: a promising pathway to heat-resistant energetic materials","CrystEngComm","2023","25","34","4902","4906","10.1039/D3CE00647F","","","0.71073","MoKα","","0.0466","0.0378","","","0.1142","0.1298","","","","","","0.935","","","","has coordinates","286127","2023-09-05","19:44:42",""
"7247097","8.638","0.01","17.1","0.02","8.705","0.01","90","","111.112","0.014","90","","1200","2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 N8 O6 -","- C7 H6 N8 O6 -","- C28 H24 N32 O24 -","4","1","","Su, Dongshuai; Cai, Jinxiong; Yin, Ping; Pang, Siping","Regioisomeric N–C functionalization of an asymmetric N-rich framework: a promising pathway to heat-resistant energetic materials","CrystEngComm","2023","25","34","4902","4906","10.1039/D3CE00647F","","","0.71073","MoKα","","0.164","0.0807","","","0.1976","0.2414","","","","","","1.008","","","","has coordinates","286127","2023-09-05","19:44:42",""
"7247104","8.2694","0.0006","8.7155","0.0007","26.765","0.002","87.121","0.006","85.505","0.006","80.356","0.007","1894.5","0.3","298","","298","","","","","","","","","4","P -1","-P 1","2","","CTC-1OH","","- C40 H39 N2 O18.5 -","- C40 H39 N2 O18.5 -","- C80 H78 N4 O37 -","2","1","","Pan, Jia-Qi; Chen, Yun-Rui; Jia, Meng-Ze; Yao, Xin-Rong; Miao, Xiao-Li; Zhang, Jie","The cooperation of charge transfer and electron transfer for manipulating photothermal behaviour of donor–acceptor co-crystals","CrystEngComm","2023","25","35","4968","4975","10.1039/D3CE00581J","","","0.71073","MoKα","","0.0952","0.0551","","","0.1372","0.1637","","","","","","1.037","","","","has coordinates","286741","2023-10-06","00:06:20",""
"7247105","4.7835","0.0005","43.651","0.005","11.3771","0.0011","90","","90","","90","","2375.6","0.4","293","2","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H24 N2 O9 -","- C28 H24 N2 O9 -","- C112 H96 N8 O36 -","4","1","","Pan, Jia-Qi; Chen, Yun-Rui; Jia, Meng-Ze; Yao, Xin-Rong; Miao, Xiao-Li; Zhang, Jie","The cooperation of charge transfer and electron transfer for manipulating photothermal behaviour of donor–acceptor co-crystals","CrystEngComm","2023","25","35","4968","4975","10.1039/D3CE00581J","","","0.71073","MoKα","","0.1739","0.1661","","","0.451","0.469","","","","","","1.135","","","","has coordinates,has disorder","286741","2023-10-06","00:06:20",""
"7247106","5.1806","0.0002","5.1806","0.0002","12.8377","0.001","90","","90","","120","","298.39","0.03","293","2","293","2","","","","","","","","3","P 63 m c","P 6c -2c","186","","","","- Al O7 P2 -","- Al O7 P2 -","- Al2 O14 P4 -","2","0.166667","","Hao, Yucheng; Zhang, Yang; Zhang, Yuying; Fu, Zixiang; Heng, Chunyang; Li, Junjie; You, Jiatian; Hu, Kunhong; Lin, Yuan; Li, Haijian","A series of novel phosphites/phosphates with deep-ultraviolet cut-off edges from 0D polar to 3D non-polar architectures","CrystEngComm","2023","25","34","4864","4872","10.1039/D3CE00464C","","","0.71073","MoKα","","0.0377","0.0356","","","0.0963","0.0983","","","","","","1.234","","","","has coordinates","286125","2023-09-05","19:44:27",""
"7247107","6.8925","0.0006","7.1249","0.0006","8.6411","0.0014","89.34","0.011","67.136","0.012","87.675","0.007","390.68","0.09","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- Al O5 P -","- Al O5 P -","- Al4 O20 P4 -","4","2","","Hao, Yucheng; Zhang, Yang; Zhang, Yuying; Fu, Zixiang; Heng, Chunyang; Li, Junjie; You, Jiatian; Hu, Kunhong; Lin, Yuan; Li, Haijian","A series of novel phosphites/phosphates with deep-ultraviolet cut-off edges from 0D polar to 3D non-polar architectures","CrystEngComm","2023","25","34","4864","4872","10.1039/D3CE00464C","","","0.71073","MoKα","","0.0963","0.0916","","","0.205","0.21","","","","","","1.116","","","","has coordinates","286125","2023-09-05","19:44:27",""
"7247108","7.9101","0.0007","7.9101","0.0007","7.1057","0.0008","90","","90","","120","","385.04","0.06","293","2","293","2","","","","","","","","3","P 63/m","-P 6c","176","","","","- Al3 O19.5 P6 -","- Al3 O19.5 P6 -","- Al3 O19.5 P6 -","1","0.0833333","","Hao, Yucheng; Zhang, Yang; Zhang, Yuying; Fu, Zixiang; Heng, Chunyang; Li, Junjie; You, Jiatian; Hu, Kunhong; Lin, Yuan; Li, Haijian","A series of novel phosphites/phosphates with deep-ultraviolet cut-off edges from 0D polar to 3D non-polar architectures","CrystEngComm","2023","25","34","4864","4872","10.1039/D3CE00464C","","","0.71073","MoKα","","0.0668","0.0603","","","0.1706","0.1749","","","","","","1.149","","","","has coordinates","286125","2023-09-05","19:44:27",""
"7247109","6.692","0.0002","6.692","0.0002","13.0305","0.0007","90","","90","","90","","583.54","0.04","293","2","293","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","","","- Ca O3 P -","- Ca O3 P -","- Ca8 O24 P8 -","8","1","","Hao, Yucheng; Zhang, Yang; Zhang, Yuying; Fu, Zixiang; Heng, Chunyang; Li, Junjie; You, Jiatian; Hu, Kunhong; Lin, Yuan; Li, Haijian","A series of novel phosphites/phosphates with deep-ultraviolet cut-off edges from 0D polar to 3D non-polar architectures","CrystEngComm","2023","25","34","4864","4872","10.1039/D3CE00464C","","","0.71073","MoKα","","0.0251","0.0243","","","0.0654","0.0659","","","","","","1.133","","","","has coordinates","286125","2023-09-05","19:44:27",""
"7247110","16.0602","0.0012","7.6455","0.0009","11.9152","0.0013","90","","94.692","0.008","90","","1458.1","0.3","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2Py-TP-BT","5-(2-pyridyl)-2-(thiopyran-4-ylidene)-1,3-benzodithiole","","- C17 H11 N S3 -","- C17 H11 N S3 -","- C68 H44 N4 S12 -","4","1","","Nishimoto, Hiroshi; Kawase, Takeshi; Nishida, Jun-ichi","Synthesis, crystal structures and semiconductor properties of 2-(thiopyran-4-ylidene)-1,3-benzodithioles with an aryl substituent","CrystEngComm","2023","25","34","4856","4863","10.1039/D3CE00416C","","x-ray","0.71073","MoKα","","0.0887","0.0465","","","0.0979","0.112","","","","","","1.017","","","","has coordinates","286123","2023-09-05","19:44:08",""
"7247111","6.1579","0.0003","7.5864","0.0004","31.1475","0.0014","90","","90","","90","","1455.1","0.12","298","","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","4Py-TP-BT","5-(4-pyridyl)-2-(thiopyran-4-ylidene)-1,3-benzodithiole","","- C17 H11 N S3 -","- C17 H11 N S3 -","- C68 H44 N4 S12 -","4","1","","Nishimoto, Hiroshi; Kawase, Takeshi; Nishida, Jun-ichi","Synthesis, crystal structures and semiconductor properties of 2-(thiopyran-4-ylidene)-1,3-benzodithioles with an aryl substituent","CrystEngComm","2023","25","34","4856","4863","10.1039/D3CE00416C","","x-ray","0.71073","MoKα","","0.1111","0.0553","","","0.1038","0.1217","","","","","","0.997","","","","has coordinates","286123","2023-09-05","19:44:08",""
"7247113","5.6474","0.0009","7.3558","0.0011","10.9693","0.0015","108.023","0.013","94.575","0.012","99.275","0.013","423.55","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","piperazine-1,4-diium di-sorbate","piperazine-1,4-diium di-2e,4e-hexadienoicate","","- C16 H26 N2 O4 -","- C16 H26 N2 O4 -","- C16 H26 N2 O4 -","1","0.5","","Li, Chang; Wu, Di; Gao, Zhenguo; Chen, Wei","Molecular simulation studies on the design of multicomponent sorbic acid crystals for tuning solubility","CrystEngComm","2023","25","34","4889","4901","10.1039/D3CE00392B","","x-ray","0.71073","MoKα","","0.0553","0.0434","","","0.1029","0.114","","","","","","1.041","","","","has coordinates","286126","2023-09-05","19:44:35",""
"7247114","4.0241","0.0002","7.3014","0.0003","20.0901","0.001","97.098","0.004","92.087","0.004","90.663","0.003","585.29","0.05","113.15","","113.15","","","","","","","","","4","P -1","-P 1","2","Nicotinamide Sorbic acid","Nicotinamide 2e,4e-hexadienoicacid","","- C12 H14 N2 O3 -","- C12 H14 N2 O3 -","- C24 H28 N4 O6 -","2","1","","Li, Chang; Wu, Di; Gao, Zhenguo; Chen, Wei","Molecular simulation studies on the design of multicomponent sorbic acid crystals for tuning solubility","CrystEngComm","2023","25","34","4889","4901","10.1039/D3CE00392B","","x-ray","0.71073","MoKα","","0.0585","0.0497","","","0.1281","0.1339","","","","","","1.093","","","","has coordinates","286126","2023-09-05","19:44:35",""
"7247115","8.8238","0.0003","11.919","0.0003","11.9562","0.0003","90","","95.671","0.003","90","","1251.29","0.06","113.15","","113.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,6-Diaminopyridinium Sorbate monohydrate","2,6-Diaminopyridinium 2e,4e-hexadienoicate monohydrate","","- C11 H17 N3 O3 -","- C11 H17 N3 O3 -","- C44 H68 N12 O12 -","4","1","","Li, Chang; Wu, Di; Gao, Zhenguo; Chen, Wei","Molecular simulation studies on the design of multicomponent sorbic acid crystals for tuning solubility","CrystEngComm","2023","25","34","4889","4901","10.1039/D3CE00392B","","x-ray","0.71073","MoKα","","0.0415","0.0371","","","0.1001","0.1046","","","","","","1.053","","","","has coordinates","286126","2023-09-05","19:44:35",""
"7247116","27.4286","0.0008","17.9342","0.0002","15.0384","0.0004","90","","133.511","0.005","90","","5365","0.5","223","0.1","223.15","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C74 H78 Cl6 Fe4 N O60 -","- C74 H78 Cl6 Fe4 N O60 -","- C148 H156 Cl12 Fe8 N2 O120 -","2","0.5","","Matsumoto, Daiki; Tanaka, Chiaki; Fujibayashi, Masaru; Nishihara, Sadafumi; Takahashi, Kiyonori; Nakamura, Takayoshi; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Crystallographic and dielectric studies of tetrahedral {NH4@Fe4} crystallized with halomethane molecules","CrystEngComm","2023","25","34","4793","4797","10.1039/D3CE00429E","","x-ray","1.54184","CuKα","","0.0633","0.0597","","","0.1604","0.1643","","","","","","1.084","","","","has coordinates,has disorder","286121","2023-09-05","19:43:53",""
"7247117","27.2657","0.0008","17.98779","0.00019","15.0294","0.0004","90","","133.512","0.005","90","","5345.8","0.5","223.15","","223.15","","","","","","","","","6","C 1 2 1","C 2y","5","","C74H76Cl4Fe4NO60","","- C74 H80 Cl4 Fe4 N O60 -","- C74 H80 Cl4 Fe4 N O60 -","- C148 H160 Cl8 Fe8 N2 O120 -","2","0.5","","Matsumoto, Daiki; Tanaka, Chiaki; Fujibayashi, Masaru; Nishihara, Sadafumi; Takahashi, Kiyonori; Nakamura, Takayoshi; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Crystallographic and dielectric studies of tetrahedral {NH4@Fe4} crystallized with halomethane molecules","CrystEngComm","2023","25","34","4793","4797","10.1039/D3CE00429E","","","1.54184","CuKα","","0.0539","0.0531","","","0.1383","0.1392","","","","","","1.026","","","","has coordinates,has disorder","286121","2023-09-05","19:43:53",""
"7247118","27.2902","0.0013","17.9198","0.0003","15.0346","0.0007","90","","133.441","0.009","90","","5338.5","0.9","223","0.1","223","0.1","","","","","","","","6","C 1 2 1","C 2y","5","","[NH4<C72H72O60Fe4](CH2Br2)2","","- C74 H80 Br4 Fe4 N O60 -","- C74 H80 Br4 Fe4 N O60 -","- C148 H160 Br8 Fe8 N2 O120 -","2","0.5","","Matsumoto, Daiki; Tanaka, Chiaki; Fujibayashi, Masaru; Nishihara, Sadafumi; Takahashi, Kiyonori; Nakamura, Takayoshi; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Crystallographic and dielectric studies of tetrahedral {NH4@Fe4} crystallized with halomethane molecules","CrystEngComm","2023","25","34","4793","4797","10.1039/D3CE00429E","","x-ray","0.71073","MoKα","","0.0745","0.0709","","","0.2038","0.2077","","","","","","1.061","","","","has coordinates,has disorder","286121","2023-09-05","19:43:53",""
"7247119","27.5848","0.0004","17.97775","0.0001","15.1052","0.0002","90","","133.527","0.003","90","","5431.2","0.3","223","","223.15","","","","","","","","","6","C 1 2 1","C 2y","5","","C72H72O60Fe4(CHBr3)2","","- C74 H78 Br6 Fe4 N O60 -","- C74 H78 Br6 Fe4 N O60 -","- C148 H156 Br12 Fe8 N2 O120 -","2","0.5","","Matsumoto, Daiki; Tanaka, Chiaki; Fujibayashi, Masaru; Nishihara, Sadafumi; Takahashi, Kiyonori; Nakamura, Takayoshi; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Crystallographic and dielectric studies of tetrahedral {NH4@Fe4} crystallized with halomethane molecules","CrystEngComm","2023","25","34","4793","4797","10.1039/D3CE00429E","","x-ray","1.54184","CuKα","","0.0724","0.0708","","","0.1925","0.1947","","","","","","1.021","","","","has coordinates,has disorder","286121","2023-09-05","19:43:53",""
"7247122","6.452","0.001","11.032","0.002","28.638","0.005","90","","90","","90","","2038.4","0.6","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H22 K N5 O14 P2 -","- C10 H22 K N5 O14 P2 -","- C40 H88 K4 N20 O56 P8 -","4","1","","Kaszubowski, Oskar; Ślepokura, Katarzyna","Structural aspects of dehydration and rehydration in the adenosine 5′-diphosphate (ADP)–potassium–water system","CrystEngComm","2023","25","32","4592","4603","10.1039/D3CE00395G","","x-ray","1.5418","CuKα","","0.036","0.0351","","","0.094","0.0945","","","","","","1.073","","","","has coordinates","286101","2023-09-05","19:38:16",""
"7247123","26.352","0.006","10.99","0.003","6.7232","0.0011","90","","90","","90","","1947.1","0.8","300","2","300","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C20 H41.5 K N10 O26.25 P4 -","- C20 H28 K N10 O26.25 P4 -","- C40 H56 K2 N20 O52.5 P8 -","2","0.5","","Kaszubowski, Oskar; Ślepokura, Katarzyna","Structural aspects of dehydration and rehydration in the adenosine 5′-diphosphate (ADP)–potassium–water system","CrystEngComm","2023","25","32","4592","4603","10.1039/D3CE00395G","","x-ray","1.5418","CuKα","","0.0834","0.0681","","","0.1868","0.2024","","","","","","1.052","","","","has coordinates,has disorder","286101","2023-09-05","19:38:16",""
"7247124","26.388","0.009","10.285","0.004","6.2377","0.0015","90","","90","","90","","1692.9","1","320","2","320","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 K N5 O10 P2 -","- C10 H14 K N5 O10 P2 -","- C40 H56 K4 N20 O40 P8 -","4","1","","Kaszubowski, Oskar; Ślepokura, Katarzyna","Structural aspects of dehydration and rehydration in the adenosine 5′-diphosphate (ADP)–potassium–water system","CrystEngComm","2023","25","32","4592","4603","10.1039/D3CE00395G","","x-ray","1.5418","CuKα","","0.0792","0.058","","","0.1607","0.18","","","","","","1.101","","","","has coordinates","286101","2023-09-05","19:38:16",""
"7247125","25.939","0.004","11.003","0.002","13.505","0.002","90","","90","","90","","3854.4","1.1","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H41.5 K N10 O26.25 P4 -","- C20 H41.512 K N10 O26.256 P4 -","- C80 H166.048 K4 N40 O105.024 P16 -","4","1","","Kaszubowski, Oskar; Ślepokura, Katarzyna","Structural aspects of dehydration and rehydration in the adenosine 5′-diphosphate (ADP)–potassium–water system","CrystEngComm","2023","25","32","4592","4603","10.1039/D3CE00395G","","x-ray","0.71073","MoKα","","0.0395","0.0348","","","0.0876","0.0896","","","","","","1.045","","","","has coordinates,has disorder","286101","2023-09-05","19:38:16",""
"7247126","28.31","0.005","10.412","0.002","6.2855","0.001","90","","90","","90","","1852.7","0.6","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C10 H18 K N5 O12 P2 -","- C10 H18 K N5 O12 P2 -","- C40 H72 K4 N20 O48 P8 -","4","1","","Kaszubowski, Oskar; Ślepokura, Katarzyna","Structural aspects of dehydration and rehydration in the adenosine 5′-diphosphate (ADP)–potassium–water system","CrystEngComm","2023","25","32","4592","4603","10.1039/D3CE00395G","","x-ray","1.54184","CuKα","","0.0392","0.0381","","","0.1006","0.1011","","","","","","1.062","","","","has coordinates,has disorder","286101","2023-09-05","19:38:16",""
"7247127","10.645","0.003","21.957","0.008","8.674","0.003","90","","91.131","0.011","90","","2027","1.2","296","2","295.85","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 N3 O7 -","- C20 H19 N3 O7 -","- C80 H76 N12 O28 -","4","1","","Saraiva Costa, Wendell; Santiago de Oliveira, Yara; Ayala, Alejandro Pedro","Polymorphism in cocrystals of metronidazole benzoate","CrystEngComm","2023","25","33","4716","4728","10.1039/D3CE00103B","","x-ray","0.71073","MoKα","","0.1677","0.0634","","","0.1191","0.1633","","","","","","1.001","","","","has coordinates","286105","2023-09-05","19:39:53",""
"7247128","7.2928","0.0005","17.0257","0.0009","25.6078","0.0016","90","","90","","90","","3179.6","0.3","296","2","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H15 N3 O6 -","- C15 H15 N3 O6 -","- C120 H120 N24 O48 -","8","1","","Saraiva Costa, Wendell; Santiago de Oliveira, Yara; Ayala, Alejandro Pedro","Polymorphism in cocrystals of metronidazole benzoate","CrystEngComm","2023","25","33","4716","4728","10.1039/D3CE00103B","","x-ray","0.71073","MoKα","","0.1387","0.0575","","","0.1285","0.1771","","","","","","1.007","","","","has coordinates","286105","2023-09-05","19:39:53",""
"7247154","7.4176","0.0005","7.5344","0.0005","13.4049","0.0009","94.585","0.002","101.837","0.002","115.88","0.002","647.36","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H13 N O5 -","- C15 H13 N O5 -","- C30 H26 N2 O10 -","2","1","","Ejarque, Daniel; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Virtual assessment achieved two binary cocrystals based on a liquid and a solid pyridine derivative with modulated thermal stabilities","CrystEngComm","2023","25","34","4798","4811","10.1039/D3CE00608E","","","0.71073","MoKα","","0.0484","0.0392","","","0.1092","0.1154","","","","","","1.045","","","","has coordinates","286124","2023-09-05","19:44:20",""
"7247155","17.3245","0.0007","4.8311","0.0002","18.3867","0.0008","90","","107.778","0.002","90","","1465.41","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","1","","Ejarque, Daniel; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Virtual assessment achieved two binary cocrystals based on a liquid and a solid pyridine derivative with modulated thermal stabilities","CrystEngComm","2023","25","34","4798","4811","10.1039/D3CE00608E","","","0.71073","MoKα","","0.0646","0.0412","","","0.0896","0.1035","","","","","","1.058","","","","has coordinates","286124","2023-09-05","19:44:20",""
"7247156","10.40289","0.00006","6.00012","0.00003","7.72969","0.00005","90","","117.197","0.0004","90","","429.134","0.005","293","","293","1","","","","","","","","5","C 1 2/m 1","-C 2y","12","K5Yb0.3Eu0.7(MoO4)4","","","- Eu0.7 K5 Mo4 O16 Yb0.3 -","- Eu0.7 K5 Mo4 O16 Yb0.3 -","- Eu0.7 K5 Mo4 O16 Yb0.3 -","1","0.125","","Posokhova, Svetlana M.; Morozov, Vladimir A.; Zonov, Egor M.; Deyneko, Dina V.; Spassky, Dmitry A.; Fedyunin, Fedor D.; Belik, Alexei A.; Pavlova, Erzhena T.; Vasin, Andrey A.; Lazoryak, Bogdan I.","K5Yb1−xEux(MoO4)4 phosphors: aperiodic structures and luminescence properties","CrystEngComm","2023","25","34","4822","4833","10.1039/D3CE00401E","powder diffraction","x-ray","0.65297","synchrotron","","0.0314","0.0313","","0.0391","0.0391","","","","6.01","","","","","","","has coordinates","286119","2023-09-05","19:43:20",""
"7247163","8.1405","0.0002","12.0603","0.0003","14.974","0.0004","70.718","0.002","85.026","0.002","83.285","0.002","1376.3","0.06","293","2","293","2","","","","","","","","7","P -1","-P 1","2","2,3,4,5,6-pentafluorobenzoate-tin-tetraiodoporphrin","","","- C58 H24 F10 I4 N4 O4 Sn -","- C58 H24 F10 I4 N4 O4 Sn -","- C58 H24 F10 I4 N4 O4 Sn -","1","0.5","","Siddiqui, Rafia; Rani, Jyoti; Akshita,; Dhamija, Swati; Shivam, Kumar; Kagra, Deepika; Sharma, Purshotam; Venugopalan, P.; Patra, Ranjan","Homo- and hetero-halogen interaction based molecular associations in wheel–axle topology derived Sn(iv) porphyrin complexes: an experimental and theoretical analysis","CrystEngComm","2023","25","35","4946","4959","10.1039/D3CE00342F","","","0.71073","MoKα","","0.0496","0.0424","","","0.1011","0.1057","","","","","","1.086","","","","has coordinates","286738","2023-10-06","00:05:45",""
"7247164","14.2789","0.0003","16.8821","0.0004","12.1517","0.0003","90","","96.37","0.002","90","","2911.18","0.12","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","4-fluorobenzoate-tin-tetraiodoporphrin","","","- C64 H44 F2 I4 N4 O4 Sn -","- C64 H44 F2 I4 N4 O4 Sn -","- C128 H88 F4 I8 N8 O8 Sn2 -","2","0.5","","Siddiqui, Rafia; Rani, Jyoti; Akshita,; Dhamija, Swati; Shivam, Kumar; Kagra, Deepika; Sharma, Purshotam; Venugopalan, P.; Patra, Ranjan","Homo- and hetero-halogen interaction based molecular associations in wheel–axle topology derived Sn(iv) porphyrin complexes: an experimental and theoretical analysis","CrystEngComm","2023","25","35","4946","4959","10.1039/D3CE00342F","","","0.71073","MoKα","","0.0559","0.045","","","0.1334","0.139","","","","","","1.059","","","","has coordinates,has disorder","286738","2023-10-06","00:05:46",""
"7247165","21.2268","0.0007","15.2917","0.0005","18.6929","0.0005","90","","94.748","0.003","90","","6046.8","0.3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","2,4,6-trifluorobenzoate-tin-tetraiodoporphrin","","","- C64 H40 F6 I4 N4 O4 Sn -","- C64 H40 F6 I4 N4 O4 Sn -","- C256 H160 F24 I16 N16 O16 Sn4 -","4","0.5","","Siddiqui, Rafia; Rani, Jyoti; Akshita,; Dhamija, Swati; Shivam, Kumar; Kagra, Deepika; Sharma, Purshotam; Venugopalan, P.; Patra, Ranjan","Homo- and hetero-halogen interaction based molecular associations in wheel–axle topology derived Sn(iv) porphyrin complexes: an experimental and theoretical analysis","CrystEngComm","2023","25","35","4946","4959","10.1039/D3CE00342F","","","0.71073","MoKα","","0.0655","0.0542","","","0.1614","0.1709","","","","","","1.073","","","","has coordinates,has disorder","286738","2023-10-06","00:05:46",""
"7247166","12.5134","0.0004","39.2235","0.0008","12.3836","0.0003","90","","103.376","0.003","90","","5913.2","0.3","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","3,6-difluorobenzoate-tin-tetraiodoporphrin","","","- C59 H31 Cl3 F4 I4 N4 O4 Sn -","- C59 H31 Cl3 F4 I4 N4 O4 Sn -","- C236 H124 Cl12 F16 I16 N16 O16 Sn4 -","4","1","","Siddiqui, Rafia; Rani, Jyoti; Akshita,; Dhamija, Swati; Shivam, Kumar; Kagra, Deepika; Sharma, Purshotam; Venugopalan, P.; Patra, Ranjan","Homo- and hetero-halogen interaction based molecular associations in wheel–axle topology derived Sn(iv) porphyrin complexes: an experimental and theoretical analysis","CrystEngComm","2023","25","35","4946","4959","10.1039/D3CE00342F","","","0.71073","MoKα","","0.0656","0.0554","","","0.1711","0.1791","","","","","","1.07","","","","has coordinates,has disorder","286738","2023-10-06","00:05:46",""
"7247167","12.5356","0.0003","40.7661","0.0008","12.4757","0.0003","90","","102.912","0.002","90","","6214.2","0.2","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","3,4-difluorobenzoate-tin-tetraiodoporphrin","","","- C65 H43 Cl3 F4 I4 N4 O4 Sn -","- C65 H43 Cl3 F4 I4 N4 O4 Sn -","- C260 H172 Cl12 F16 I16 N16 O16 Sn4 -","4","1","","Siddiqui, Rafia; Rani, Jyoti; Akshita,; Dhamija, Swati; Shivam, Kumar; Kagra, Deepika; Sharma, Purshotam; Venugopalan, P.; Patra, Ranjan","Homo- and hetero-halogen interaction based molecular associations in wheel–axle topology derived Sn(iv) porphyrin complexes: an experimental and theoretical analysis","CrystEngComm","2023","25","35","4946","4959","10.1039/D3CE00342F","","","0.71073","MoKα","","0.0682","0.0569","","","0.159","0.1658","","","","","","1.022","","","","has coordinates,has disorder","286738","2023-10-06","00:05:46",""
"7247168","15.5029","0.0003","19.537","0.0004","22.8054","0.0004","90","","102.773","0.002","90","","6736.4","0.2","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","2,3,5,6-tetrafluorobenzoate-tin-tetraiodoporphrin","","","- C70 H50 F8 I4 N4 O4 Sn -","- C70 H50 F8 I4 N4 O4 Sn -","- C280 H200 F32 I16 N16 O16 Sn4 -","4","1","","Siddiqui, Rafia; Rani, Jyoti; Akshita,; Dhamija, Swati; Shivam, Kumar; Kagra, Deepika; Sharma, Purshotam; Venugopalan, P.; Patra, Ranjan","Homo- and hetero-halogen interaction based molecular associations in wheel–axle topology derived Sn(iv) porphyrin complexes: an experimental and theoretical analysis","CrystEngComm","2023","25","35","4946","4959","10.1039/D3CE00342F","","","0.71073","MoKα","","0.04","0.0349","","","0.098","0.1019","","","","","","1.045","","","","has coordinates,has disorder","286738","2023-10-06","00:05:46",""
"7247169","10.6659","0.0001","24.8734","0.0004","30.8319","0.0004","90","","92.536","0.001","90","","8171.61","0.19","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","2,3,4,5-tetrafluorobenzoate-tin-tetraiodoporphrin","","","- C58 H26 F8 I4 N4 O4 Sn -","- C58 H26 F8 I4 N4 O4 Sn -","- C348 H156 F48 I24 N24 O24 Sn6 -","6","1.5","","Siddiqui, Rafia; Rani, Jyoti; Akshita,; Dhamija, Swati; Shivam, Kumar; Kagra, Deepika; Sharma, Purshotam; Venugopalan, P.; Patra, Ranjan","Homo- and hetero-halogen interaction based molecular associations in wheel–axle topology derived Sn(iv) porphyrin complexes: an experimental and theoretical analysis","CrystEngComm","2023","25","35","4946","4959","10.1039/D3CE00342F","","","0.71073","MoKα","","0.0844","0.0648","","","0.2008","0.2147","","","","","","1.078","","","","has coordinates","286738","2023-10-06","00:05:46",""
"7247170","11.1507","0.0006","11.742","0.0006","14.0683","0.0007","73.932","0.005","85.67","0.004","84.591","0.004","1759.79","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 N20 O2 Pb3 -","- C26 H22 N20 O2 Pb3 -","- C52 H44 N40 O4 Pb6 -","2","1","","Mahmoudi, Ghodrat; Zangrando, Ennio; Gurbanov, Atash V.; Eftekhari-Sis, Bagher; Mitoraj, Mariusz P.; Sagan, Filip; Safin, Damir A.","Tetrel bonding stabilization of a new coordination polymer constructed from lead(ii) azide and 1-(pyridin-2-yl)ethylidenepicolinohydrazide","CrystEngComm","2023","25","36","5100","5108","10.1039/D3CE00596H","","","0.71073","MoKα","","0.0927","0.0629","","","0.1359","0.1498","","","","","","1.086","","","","has coordinates","286732","2023-10-06","00:04:42",""
"7247177","17.0535","0.0006","10.0663","0.0004","6.9926","0.0002","90","","91.543","0.003","90","","1199.95","0.07","296.89","0.15","296.89","0.15","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C14 H28 Co Li N8 O14 -","- C14 H26 Co Li N8 O14 -","- C28 H52 Co2 Li2 N16 O28 -","2","0.5","","Yue, Zhi-Yuan; Liao, Rong-Meng; Luo, Wang; Wang, Na; Miao, Le-Ping; Ye, Heng-Yun; Shi, Chao","A room-temperature nitrite-based hybrid bimetal molecular ferroelectric material: [(R)-3-quinuclidinol]2[LiCo(NO2)6]","CrystEngComm","2023","25","36","5085","5091","10.1039/D3CE00536D","","x-ray","0.71073","MoKα","","0.1025","0.0967","","","0.274","0.2827","","","","","","1.09","","","","has coordinates,has disorder","286733","2023-10-06","00:04:48",""
"7247178","9.9786","0.0003","9.9786","0.0003","7.0265","0.0003","90","","90","","120","","605.91","0.04","350","15","350","15","","","","","","","","6","P 3 2 1","P 3 2""","150","","","","- C14 H28 Co Li N8 O14 -","- C5.9994 Co Li N7.9998 O13.9998 -","- C5.9994 Co Li N7.9998 O13.9998 -","1","0.166667","","Yue, Zhi-Yuan; Liao, Rong-Meng; Luo, Wang; Wang, Na; Miao, Le-Ping; Ye, Heng-Yun; Shi, Chao","A room-temperature nitrite-based hybrid bimetal molecular ferroelectric material: [(R)-3-quinuclidinol]2[LiCo(NO2)6]","CrystEngComm","2023","25","36","5085","5091","10.1039/D3CE00536D","","x-ray","0.71073","MoKα","","0.1227","0.115","","","0.2907","0.2977","","","","","","1.332","","","","has coordinates,has disorder","286733","2023-10-06","00:04:48",""
"7247179","5.3766","0.0003","8.7055","0.0005","15.6819","0.0008","90","","99.722","0.002","90","","723.47","0.07","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 Cl2 N2 -","- C16 H14 Cl2 N2 -","- C32 H28 Cl4 N4 -","2","0.5","","Bhoday, Harmeet; Yang, Kaidi; Kelley, Steven P.; Glaser, Rainer","Crystal environment induced symmetry reduction (CEISR): deep analysis of para-chloroacetophenone azine and generalization","CrystEngComm","2023","25","33","4638","4657","10.1039/D3CE00676J","","","1.54178","CuKα","","0.0243","0.0243","","","0.0639","0.0639","","","","","","1.057","","","","has coordinates","286106","2023-09-05","19:40:01",""
"7247180","5.5678","0.0002","8.7473","0.0004","15.6491","0.0007","90","","98.8027","0.0014","90","","753.18","0.06","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-Bromoacetophenone azine","","- C16 H14 Br2 N2 -","- C16 H14 Br2 N2 -","- C32 H28 Br4 N4 -","2","0.5","","Bhoday, Harmeet; Yang, Kaidi; Kelley, Steven P.; Glaser, Rainer","Crystal environment induced symmetry reduction (CEISR): deep analysis of para-chloroacetophenone azine and generalization","CrystEngComm","2023","25","33","4638","4657","10.1039/D3CE00676J","","","1.54178","CuKα","","0.0215","0.0215","","","0.056","0.0561","","","","","","1.119","","","","has coordinates","286106","2023-09-05","19:40:01",""
"7247181","15.0686","0.0006","9.1426","0.0004","10.3068","0.0004","90","","93.7551","0.0013","90","","1416.88","0.1","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-chloroacetophenone azine","","- C16 H14 Cl2 N2 -","- C16 H14 Cl2 N2 -","- C64 H56 Cl8 N8 -","4","1","","Bhoday, Harmeet; Yang, Kaidi; Kelley, Steven P.; Glaser, Rainer","Crystal environment induced symmetry reduction (CEISR): deep analysis of para-chloroacetophenone azine and generalization","CrystEngComm","2023","25","33","4638","4657","10.1039/D3CE00676J","","","0.71073","MoKα","","0.0543","0.0421","","","0.0865","0.0944","","","","","","1.138","","","","has coordinates","286106","2023-09-05","19:40:01",""
"7247182","9.3239","0.0007","10.3551","0.0007","30.346","0.002","90","","90","","90","","2929.9","0.4","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-bromoacetophenone azine","","- C16 H14 Br2 N2 -","- C16 H14 Br2 N2 -","- C128 H112 Br16 N16 -","8","1","","Bhoday, Harmeet; Yang, Kaidi; Kelley, Steven P.; Glaser, Rainer","Crystal environment induced symmetry reduction (CEISR): deep analysis of para-chloroacetophenone azine and generalization","CrystEngComm","2023","25","33","4638","4657","10.1039/D3CE00676J","","","0.71073","MoKα","","0.0476","0.0319","","","0.0583","0.0627","","","","","","1.076","","","","has coordinates","286106","2023-09-05","19:40:01",""
"7247185","5.3204","0.0002","13.5037","0.0009","43.718","0.002","82.294","0.005","89.769","0.004","89.83","0.004","3112.5","0.3","105","7","105","7","","","","","","","","6","P -1","-P 1","2","","","","- C51 H108 N3 Na O15 S3 -","- C51 H108 N3 Na O15 S3 -","- C102 H216 N6 Na2 O30 S6 -","2","1","","Arul Prakash, Sukanya; Chinapaka, Ravindar; John, Martin Luther; Dey, Somnath; Kamlekar, Ravi Kanth","Crystal structure, molecular packing, and intermolecular interactions of N-pentadecanoyltaurine and N-acyltaurine's interaction with cholesterol","CrystEngComm","2023","25","37","5286","5295","10.1039/D3CE00646H","","","0.71073","MoKα","","0.279","0.1111","","","0.2334","0.3161","","","","","","0.932","","","","has coordinates","286723","2023-10-06","00:02:24",""
"7247186","14.02999","0.00014","43.3663","0.0003","33.7009","0.0002","90","","94.381","0.0008","90","","20444.7","0.3","153","4","153","4","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Cd@pyridine","","- C116.5 H93.63 Cd4.67 N14.83 O28.5 -","- C116.5 H93.6333 Cd4.66667 N14.8333 O28.5 -","- C699 H561.8 Cd28 N89 O171 -","6","1.5","","Habib, Faiza; Tocher, Derek A.; Carmalt, Claire J.","Encapsulation of N-containing compounds in a new hydrophilic Cd-based crystalline sponge via coordinative alignment method","CrystEngComm","2023","25","35","5001","5011","10.1039/D3CE00592E","","x-ray","1.54184","CuKα","","0.0884","0.0788","","","0.2157","0.2264","","","","","","1.044","","","","has coordinates,has disorder","286742","2023-10-06","00:07:28",""
"7247187","13.6817","0.0002","43.2808","0.0004","33.7646","0.0004","90","","95.3182","0.0014","90","","19907.8","0.4","154","7","154","7","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena- [tetrakis(μ6-4,4?4??-[1,3,5-benzenetriyltris(carbonylimino)]-trisbenzoateo)-bis(μ3-oxo)-tetra(dimethlyformamide)-tetraaqua-hepta cadmium acetonitrile","","- C142.2 H117.2 Cd6.8 N19.5 O48 -","- C142.2 H116.7 Cd6.8 N19.5 O48 -","- C568.8 H466.8 Cd27.2 N78 O192 -","4","1","","Habib, Faiza; Tocher, Derek A.; Carmalt, Claire J.","Encapsulation of N-containing compounds in a new hydrophilic Cd-based crystalline sponge via coordinative alignment method","CrystEngComm","2023","25","35","5001","5011","10.1039/D3CE00592E","","x-ray","1.54184","CuKα","","0.0906","0.0757","","","0.2108","0.228","","","","","","1.077","","","","has coordinates,has disorder","286742","2023-10-06","00:07:28",""
"7247188","14.1427","0.0003","43.199","0.0006","33.7991","0.0004","90","","94.7053","0.0016","90","","20580","0.6","158","11","158","11","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","xstr1407","","- C173.5 H146.25 Cd7 N19.25 O46 -","- C173.5 H146.25 Cd7 N19.25 O46 -","- C694 H585 Cd28 N77 O184 -","4","1","","Habib, Faiza; Tocher, Derek A.; Carmalt, Claire J.","Encapsulation of N-containing compounds in a new hydrophilic Cd-based crystalline sponge via coordinative alignment method","CrystEngComm","2023","25","35","5001","5011","10.1039/D3CE00592E","","x-ray","1.54184","CuKα","","0.1102","0.0886","","","0.2398","0.2594","","","","","","1.034","","","","has coordinates,has disorder","286742","2023-10-06","00:07:29",""
"7247189","13.9475","0.0002","43.3134","0.0004","33.5321","0.0004","90","","94.4569","0.0011","90","","20195.9","0.4","151","1","151","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena- [tetrakis(μ6-4,4?4??-[1,3,5-benzenetriyltris(carbonylimino)]-trisbenzoateo)-bis(μ3-oxo)-tri(dimethlyformamide)-pentaaqua-hepta cadmium acetone","","- C117.39 H103.38 Cd5.6 N14.2 O39.66 -","- C117.392 H103.384 Cd5.6 N14.2 O39.656 -","- C586.96 H516.92 Cd28 N71 O198.28 -","5","1.25","","Habib, Faiza; Tocher, Derek A.; Carmalt, Claire J.","Encapsulation of N-containing compounds in a new hydrophilic Cd-based crystalline sponge via coordinative alignment method","CrystEngComm","2023","25","35","5001","5011","10.1039/D3CE00592E","","x-ray","1.54184","CuKα","","0.1078","0.084","","","0.22","0.2454","","","","","","1.031","","","","has coordinates,has disorder","286742","2023-10-06","00:07:29",""
"7247190","14.68693","0.00011","42.8432","0.0003","33.8507","0.0002","90","","93.1111","0.0007","90","","21268.7","0.3","155","7","155","7","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","xstr1355","","- C115.44 H96.4 Cd5.6 N14.68 O39.2 -","- C113.52 H93.2 Cd5.6 N14.44 O39.2 -","- C567.6 H466 Cd28 N72.2 O196 -","5","1.25","","Habib, Faiza; Tocher, Derek A.; Carmalt, Claire J.","Encapsulation of N-containing compounds in a new hydrophilic Cd-based crystalline sponge via coordinative alignment method","CrystEngComm","2023","25","35","5001","5011","10.1039/D3CE00592E","","x-ray","1.54184","CuKα","","0.0878","0.0794","","","0.2327","0.2426","","","","","","1.029","","","","has coordinates,has disorder","286742","2023-10-06","00:07:29",""
"7247191","14.615","0.0001","43.0674","0.0003","33.6023","0.0002","90","","93.676","0.001","90","","21106.8","0.2","137.4","0.6","137.4","0.6","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","xstr1363","","- C94.83 H81.86 Cd4 N10.57 O28.17 -","- C94.8286 H80.4286 Cd4 N10.5714 O28.1714 -","- C663.8 H563 Cd28 N74 O197.2 -","7","1.75","","Habib, Faiza; Tocher, Derek A.; Carmalt, Claire J.","Encapsulation of N-containing compounds in a new hydrophilic Cd-based crystalline sponge via coordinative alignment method","CrystEngComm","2023","25","35","5001","5011","10.1039/D3CE00592E","","x-ray","1.54184","CuKα","","0.0822","0.0759","","","0.208","0.2136","","","","","","1.06","","","","has coordinates,has disorder","286742","2023-10-06","00:07:29",""
"7247192","14.75582","0.00016","42.951","0.0003","33.8388","0.0003","90","","93.4415","0.0009","90","","21407.6","0.3","152","4","152","4","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","xstr1393","","- C123 H108.67 Cd4.67 N15 O27.67 -","- C123 H108.667 Cd4.66667 N15 O27.6667 -","- C738 H652 Cd28 N90 O166 -","6","1.5","","Habib, Faiza; Tocher, Derek A.; Carmalt, Claire J.","Encapsulation of N-containing compounds in a new hydrophilic Cd-based crystalline sponge via coordinative alignment method","CrystEngComm","2023","25","35","5001","5011","10.1039/D3CE00592E","","x-ray","1.54184","CuKα","","0.104","0.0923","","","0.2409","0.2526","","","","","","1.06","","","","has coordinates,has disorder","286742","2023-10-06","00:07:29",""
"7247193","14.6954","0.0002","42.2913","0.0004","33.8929","0.0004","90","","91.649","0.001","90","","21055.3","0.4","149.4","0.8","149.4","0.8","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena- [tetrakis(μ6-4,4?4??-[1,3,5-benzenetriyltris(carbonylimino)]-trisbenzoateo)-bis(μ3-oxo)-tetra(dimethlyformamide)-tetraaqua-hepta cadmium dimethylformamide","","- C147.75 H0.25 Cd7 N20.75 O51.75 -","- C146.25 H135.25 Cd7 N20.25 O51.25 -","- C585 H541 Cd28 N81 O205 -","4","1","","Habib, Faiza; Tocher, Derek A.; Carmalt, Claire J.","Encapsulation of N-containing compounds in a new hydrophilic Cd-based crystalline sponge via coordinative alignment method","CrystEngComm","2023","25","35","5001","5011","10.1039/D3CE00592E","","x-ray","1.54184","CuKα","","0.0946","0.0751","","","0.2019","0.2235","","","","","","1.02","","","","has coordinates","286742","2023-10-06","00:07:29",""
"7247194","14.5221","0.0001","42.7754","0.0002","33.9548","0.0002","90","","93.429","0.001","90","","21054.6","0.2","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena- [tetrakis(μ6-4,4?4??-[1,3,5-benzenetriyltris(carbonylimino)]-trisbenzoateo)-bis(μ3-oxo)-penta(dimethlyformamide)-triaqua-hepta cadmium isopropanol","","- C106.46 H110.99 Cd4.67 N14.5 O36 -","- C106.467 H110.833 Cd4.66667 N14.5 O36 -","- C638.8 H665 Cd28 N87 O216 -","6","1.5","","Habib, Faiza; Tocher, Derek A.; Carmalt, Claire J.","Encapsulation of N-containing compounds in a new hydrophilic Cd-based crystalline sponge via coordinative alignment method","CrystEngComm","2023","25","35","5001","5011","10.1039/D3CE00592E","","x-ray","1.54184","CuKα","","0.0596","0.055","","","0.1602","0.1673","","","","","","1.035","","","","has coordinates,has disorder","286742","2023-10-06","00:07:29",""
"7247195","14.9412","0.0002","42.7238","0.0004","33.8725","0.0004","90","","93.6969","0.0014","90","","21577.3","0.4","156","9","156","9","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","xstr1386","","- C161.75 H131 Cd6.9 N25.5 O41.65 -","- C161.75 H131 Cd6.9 N25.5 O41.65 -","- C647 H524 Cd27.6 N102 O166.6 -","4","1","","Habib, Faiza; Tocher, Derek A.; Carmalt, Claire J.","Encapsulation of N-containing compounds in a new hydrophilic Cd-based crystalline sponge via coordinative alignment method","CrystEngComm","2023","25","35","5001","5011","10.1039/D3CE00592E","","x-ray","1.54184","CuKα","","0.118","0.1101","","","0.2867","0.2931","","","","","","1.063","","","","has coordinates,has disorder","286742","2023-10-06","00:07:29",""
"7247196","14.0589","0.00012","43.1549","0.0002","33.7222","0.0002","90","","94.5246","0.0007","90","","20395.8","0.2","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","xstr1410","","- C110.67 H81.33 Cd4.67 N12.67 O28.67 -","- C110.667 H81.3333 Cd4.66667 N12.6667 O28.6667 -","- C664 H488 Cd28 N76 O172 -","6","1.5","","Habib, Faiza; Tocher, Derek A.; Carmalt, Claire J.","Encapsulation of N-containing compounds in a new hydrophilic Cd-based crystalline sponge via coordinative alignment method","CrystEngComm","2023","25","35","5001","5011","10.1039/D3CE00592E","","x-ray","1.54184","CuKα","","0.0954","0.0797","","","0.2062","0.2236","","","","","","1.046","","","","has coordinates","286742","2023-10-06","00:07:29",""
"7247201","36.833","0.005","10.295","0.0014","20.105","0.003","90","","102.065","0.006","90","","7455.3","1.8","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H84 Cd3 N6 O36 -","- C52 H52 Cd3 N6 O36 -","- C208 H208 Cd12 N24 O144 -","4","0.5","","Goswami, Anindita; Dutta, Prantik; Biradha, Kumar","Metal–organic frameworks with open metal sites act as efficient heterogeneous catalysts for Knoevenagel condensation and the Chan–Lam coupling reaction","CrystEngComm","2023","25","36","5092","5099","10.1039/D3CE00663H","","","0.71073","MoKα","","0.1367","0.0896","","","0.2264","0.2476","","","","","","1.34","","","","has coordinates","286737","2023-10-06","00:05:28",""
"7247202","30.4107","0.0013","30.4107","0.0013","30.414","","90","","90","","90","","28127.2","1.7","120","2","120","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C312 H276 Cu24 N30 O144 -","- C320 H312 Cu24 N40 O144 -","- C640 H624 Cu48 N80 O288 -","2","0.125","","Goswami, Anindita; Dutta, Prantik; Biradha, Kumar","Metal–organic frameworks with open metal sites act as efficient heterogeneous catalysts for Knoevenagel condensation and the Chan–Lam coupling reaction","CrystEngComm","2023","25","36","5092","5099","10.1039/D3CE00663H","","","0.71073","MoKα","","0.1298","0.0585","","","0.1609","0.2118","","","","","","1.182","","","","has coordinates","286737","2023-10-06","00:05:28",""
"7247203","16.0415","0.001","6.6425","0.0004","44.992","0.003","90","","90","","90","","4794.2","0.5","200","","200","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H25 N O7 -","- C28 H25 N O7 -","- C224 H200 N8 O56 -","8","1","","Meng, Lingshan; Li, Duanxiu; Zhu, Yujing; Wang, Jianming; Deng, Zongwu; Zhang, Hailu","Pirfenidone–flavonoid cocrystals with reduced solubility and dissolution rate","CrystEngComm","2023","25","36","5133","5140","10.1039/D3CE00402C","","","0.71073","MoKα","","0.0878","0.067","","","0.1828","0.196","","","","","","1.07","","","","has coordinates,has disorder","286734","2023-10-06","00:04:56",""
"7247204","18.9053","0.0006","8.2831","0.0002","20.9395","0.0005","90","","98.594","0.002","90","","3242.19","0.15","273","2","273","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C39 H32 N2 O7 -","- C39 H32 N2 O7 -","- C156 H128 N8 O28 -","4","1","","Meng, Lingshan; Li, Duanxiu; Zhu, Yujing; Wang, Jianming; Deng, Zongwu; Zhang, Hailu","Pirfenidone–flavonoid cocrystals with reduced solubility and dissolution rate","CrystEngComm","2023","25","36","5133","5140","10.1039/D3CE00402C","","","1.54178","CuKα","","0.0604","0.0566","","","0.1742","0.1822","","","","","","1.127","","","","has coordinates","286734","2023-10-06","00:04:57",""
"7247205","18.4305","0.0012","3.7948","0.0002","25.3173","0.0015","90","","90","","90","","1770.69","0.18","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C12 H6 O2 -","- C12 H7 O2 -","- C96 H56 O16 -","8","2","","Dogaru, Andreea; Apostol, Adrian A.; Maxim, Catalin; Raduca, Mihai; Novikov, Alexander S.; Nicolescu, Alina; Deleanu, Calin; Nica, Simona; Andruh, Marius","Halogen bonded supramolecular assemblies constructed from azulene derivatives and perfluorinated di-/triiodobenzenes","CrystEngComm","2023","25","37","5243","5261","10.1039/D3CE00752A","","","0.71073","MoKα","","0.1136","0.1031","","","0.2383","0.2563","","","","","","1.103","","","","has coordinates,has disorder","286727","2023-10-06","00:03:10",""
"7247206","4.1607","0.0002","14.3681","0.0005","16.2365","0.0005","70.813","0.003","88.318","0.003","83.695","0.003","911.15","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H8 F4 I2 O2 -","- C18 H8 F4 I2 O2 -","- C36 H16 F8 I4 O4 -","2","1","","Dogaru, Andreea; Apostol, Adrian A.; Maxim, Catalin; Raduca, Mihai; Novikov, Alexander S.; Nicolescu, Alina; Deleanu, Calin; Nica, Simona; Andruh, Marius","Halogen bonded supramolecular assemblies constructed from azulene derivatives and perfluorinated di-/triiodobenzenes","CrystEngComm","2023","25","37","5243","5261","10.1039/D3CE00752A","","","0.71073","MoKα","","0.0317","0.0261","","","0.0611","0.0637","","","","","","1.076","","","","has coordinates","286727","2023-10-06","00:03:10",""
"7247207","29.444","0.0008","8.5268","0.0002","18.3966","0.0005","90","","91.377","0.003","90","","4617.4","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H14 F4 I2 N2 -","- C26 H14 F4 I2 N2 -","- C208 H112 F32 I16 N16 -","8","1","","Dogaru, Andreea; Apostol, Adrian A.; Maxim, Catalin; Raduca, Mihai; Novikov, Alexander S.; Nicolescu, Alina; Deleanu, Calin; Nica, Simona; Andruh, Marius","Halogen bonded supramolecular assemblies constructed from azulene derivatives and perfluorinated di-/triiodobenzenes","CrystEngComm","2023","25","37","5243","5261","10.1039/D3CE00752A","","","0.71073","MoKα","","0.0217","0.0189","","","0.0469","0.0479","","","","","","1.041","","","","has coordinates","286727","2023-10-06","00:03:10",""
"7247208","7.4786","0.0008","8.5409","0.0007","14.6445","0.0011","75.696","0.009","77.44","0.01","88.124","0.008","884.49","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H8 F4 I2 O2 -","- C18 H8 F4 I2 O2 -","- C36 H16 F8 I4 O4 -","2","1","","Dogaru, Andreea; Apostol, Adrian A.; Maxim, Catalin; Raduca, Mihai; Novikov, Alexander S.; Nicolescu, Alina; Deleanu, Calin; Nica, Simona; Andruh, Marius","Halogen bonded supramolecular assemblies constructed from azulene derivatives and perfluorinated di-/triiodobenzenes","CrystEngComm","2023","25","37","5243","5261","10.1039/D3CE00752A","","","0.71073","MoKα","","0.0505","0.04","","","0.1213","0.1316","","","","","","1.078","","","","has coordinates","286727","2023-10-06","00:03:10",""
"7247209","4.22529","0.00016","34.4499","0.0015","21.9267","0.001","90","","91.425","0.004","90","","3190.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H14 F8 I4 N2 -","- C32 H14 F8 I4 N2 -","- C128 H56 F32 I16 N8 -","4","1","","Dogaru, Andreea; Apostol, Adrian A.; Maxim, Catalin; Raduca, Mihai; Novikov, Alexander S.; Nicolescu, Alina; Deleanu, Calin; Nica, Simona; Andruh, Marius","Halogen bonded supramolecular assemblies constructed from azulene derivatives and perfluorinated di-/triiodobenzenes","CrystEngComm","2023","25","37","5243","5261","10.1039/D3CE00752A","","","0.71073","MoKα","","0.0404","0.0283","","","0.0543","0.0582","","","","","","1.026","","","","has coordinates","286727","2023-10-06","00:03:10",""
"7247210","34.3394","0.0016","7.4235","0.0003","19.2266","0.001","90","","90","","90","","4901.2","0.4","293","2","293","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C26 H14 F3 I3 N2 -","- C26 H14 F3 I3 N2 -","- C208 H112 F24 I24 N16 -","8","0.5","","Dogaru, Andreea; Apostol, Adrian A.; Maxim, Catalin; Raduca, Mihai; Novikov, Alexander S.; Nicolescu, Alina; Deleanu, Calin; Nica, Simona; Andruh, Marius","Halogen bonded supramolecular assemblies constructed from azulene derivatives and perfluorinated di-/triiodobenzenes","CrystEngComm","2023","25","37","5243","5261","10.1039/D3CE00752A","","","0.71073","MoKα","","0.0315","0.0252","","","0.0588","0.0631","","","","","","1.051","","","","has coordinates","286727","2023-10-06","00:03:10",""
"7247211","18.2877","0.0005","30.6219","0.0007","28.2054","0.001","90","","98.227","0.003","90","","15632.6","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C144 H64 F24 I24 O16 -","- C144 H64 F24 I24 O16 -","- C576 H256 F96 I96 O64 -","4","1","","Dogaru, Andreea; Apostol, Adrian A.; Maxim, Catalin; Raduca, Mihai; Novikov, Alexander S.; Nicolescu, Alina; Deleanu, Calin; Nica, Simona; Andruh, Marius","Halogen bonded supramolecular assemblies constructed from azulene derivatives and perfluorinated di-/triiodobenzenes","CrystEngComm","2023","25","37","5243","5261","10.1039/D3CE00752A","","","0.71073","MoKα","","0.1232","0.0665","","","0.139","0.1725","","","","","","1.118","","","","has coordinates","286727","2023-10-06","00:03:10",""
"7247216","10.5137","0.0004","5.4852","0.0002","10.3155","0.0004","90","","110.873","0.002","90","","555.85","0.04","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N1,N2-bis(5-methylisoxazol-3-yl)oxalamide","N1,N2-bis(5-methylisoxazol-3-yl)oxalamide","","- C10 H10 N4 O4 -","- C10 H10 N4 O4 -","- C20 H20 N8 O8 -","2","0.5","","Pagliari, Anderson B.; Rosa, Jéssica M. L.; de Lima, Priscila S. V.; Zimmer, Geórgia C.; da Silva, Maria E. C.; de Oliveira, Érica G.; Bonacorso, Helio G.; Zanatta, Nilo; Martins, Marcos A. P.","Polymorphism in N-(5-methylisoxazol-3-yl)malonamide: understanding the supramolecular structure and the crystallization mechanism","CrystEngComm","2023","25","36","5118","5132","10.1039/D3CE00643C","","x-ray","1.54178","CuKα","","0.0574","0.0406","","","0.1018","0.1134","","","","","","1.036","","","","has coordinates","286736","2023-10-06","00:05:14",""
"7247217","9.5647","0.0002","4.6961","0.0001","13.7344","0.0003","90","","97.14","0.001","90","","612.12","0.02","293","2","293","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","N1,N3-bis(5-methylisoxazol-3-yl)malonamide","N1,N3-bis(5-methylisoxazol-3-yl)malonamide","","- C11 H12 N4 O4 -","- C11 H12 N4 O4 -","- C22 H24 N8 O8 -","2","0.5","","Pagliari, Anderson B.; Rosa, Jéssica M. L.; de Lima, Priscila S. V.; Zimmer, Geórgia C.; da Silva, Maria E. C.; de Oliveira, Érica G.; Bonacorso, Helio G.; Zanatta, Nilo; Martins, Marcos A. P.","Polymorphism in N-(5-methylisoxazol-3-yl)malonamide: understanding the supramolecular structure and the crystallization mechanism","CrystEngComm","2023","25","36","5118","5132","10.1039/D3CE00643C","","","1.54178","CuKα","","0.0432","0.0404","","","0.112","0.1157","","","","","","1.045","","","","has coordinates","286736","2023-10-06","00:05:14",""
"7247218","20.0136","0.0006","8.2017","0.0003","9.831","0.0003","90","","90","","90","","1613.71","0.09","294","2","294","2","","","","","","","","5","P m n 21","P 2ac -2","31","malonamide-DMSO solvate","N1,N3-bis (5-methylisoxazol-3-yl)malonamide","","- C13 H18 N4 O5 S -","- C13 H18 N4 O5 S -","- C52 H72 N16 O20 S4 -","4","1","","Pagliari, Anderson B.; Rosa, Jéssica M. L.; de Lima, Priscila S. V.; Zimmer, Geórgia C.; da Silva, Maria E. C.; de Oliveira, Érica G.; Bonacorso, Helio G.; Zanatta, Nilo; Martins, Marcos A. P.","Polymorphism in N-(5-methylisoxazol-3-yl)malonamide: understanding the supramolecular structure and the crystallization mechanism","CrystEngComm","2023","25","36","5118","5132","10.1039/D3CE00643C","","","1.54178","CuKα","","0.0366","0.0347","","","0.0965","0.0985","","","","","","1.067","","","","has coordinates","286736","2023-10-06","00:05:14",""
"7247219","4.9247","0.0002","9.8219","0.0005","12.0712","0.0006","88.35","0.002","82.491","0.001","88.948","0.002","578.57","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","N1,N3-bis(5-methylisoxazol-3-yl)malonamide","N1,N3-bis(5-methylisoxazol-3-yl)malonamide","","- C11 H12 N4 O4 -","- C11 H12 N4 O4 -","- C22 H24 N8 O8 -","2","1","","Pagliari, Anderson B.; Rosa, Jéssica M. L.; de Lima, Priscila S. V.; Zimmer, Geórgia C.; da Silva, Maria E. C.; de Oliveira, Érica G.; Bonacorso, Helio G.; Zanatta, Nilo; Martins, Marcos A. P.","Polymorphism in N-(5-methylisoxazol-3-yl)malonamide: understanding the supramolecular structure and the crystallization mechanism","CrystEngComm","2023","25","36","5118","5132","10.1039/D3CE00643C","","","0.71073","MoKα","","0.0377","0.0355","","","0.087","0.0885","","","","","","1.062","","","","has coordinates","286736","2023-10-06","00:05:14",""
"7247220","11.135","0.002","19.665","0.004","21.122","0.004","106.71","0.03","102.08","0.03","104.65","0.03","4082","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H88 Cl4 N4 O9 Zn2 -","- C88 H88 Cl4 N4 O9 Zn2 -","- C176 H176 Cl8 N8 O18 Zn4 -","2","1","","Kim, Gyeongwoo; Han, Jihun; Kim, Dongwon; Jung, Ok-Sang","Single crystals of cyclodimeric zinc(ii) complexes containing 9,10-bis((isoquinolin-5-yloxy)methyl)anthracene: reversible adsorption of target molecules and recognition of CH2I2 in an SCSC mode","CrystEngComm","2023","25","36","5077","5084","10.1039/D3CE00671A","","","0.74","synchrotron","","0.1295","0.0669","","","0.2005","0.2321","","","","","","0.871","","","","has coordinates,has disorder","286731","2023-10-06","00:04:36",""
"7247221","6.0205","0.001","18.3","0.003","23.836","0.004","90","","91.674","0.005","90","","2625","0.8","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H52 Cl4 N6 O2 Zn2 -","- C58 H52 Cl4 N6 O2 Zn2 -","- C116 H104 Cl8 N12 O4 Zn4 -","2","0.5","","Kim, Gyeongwoo; Han, Jihun; Kim, Dongwon; Jung, Ok-Sang","Single crystals of cyclodimeric zinc(ii) complexes containing 9,10-bis((isoquinolin-5-yloxy)methyl)anthracene: reversible adsorption of target molecules and recognition of CH2I2 in an SCSC mode","CrystEngComm","2023","25","36","5077","5084","10.1039/D3CE00671A","","","0.71073","MoKα","","0.0661","0.0451","","","0.1054","0.1173","","","","","","1.05","","","","has coordinates,has disorder","286731","2023-10-06","00:04:36",""
"7247222","13.164","0.003","17.894","0.004","21.651","0.004","76.66","0.03","72.73","0.03","85.85","0.03","4739","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C217 H210 Cl10 N8 O12 Zn4 -","- C217 H210 Cl10 N8 O12 Zn4 -","- C217 H210 Cl10 N8 O12 Zn4 -","1","0.5","","Kim, Gyeongwoo; Han, Jihun; Kim, Dongwon; Jung, Ok-Sang","Single crystals of cyclodimeric zinc(ii) complexes containing 9,10-bis((isoquinolin-5-yloxy)methyl)anthracene: reversible adsorption of target molecules and recognition of CH2I2 in an SCSC mode","CrystEngComm","2023","25","36","5077","5084","10.1039/D3CE00671A","","","0.63","synchrotron","","0.0868","0.0757","","","0.2352","0.2431","","","","","","1.163","","","","has coordinates,has disorder","286731","2023-10-06","00:04:36",""
"7247223","13.7962","0.0011","17.9965","0.0012","20.997","0.0015","75.579","0.004","72.959","0.005","88.789","0.005","4819.7","0.6","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C100 H88 Cl4 N4 O4 Zn2 -","- C100 H88 Cl4 N4 O4 Zn2 -","- C200 H176 Cl8 N8 O8 Zn4 -","2","1","","Kim, Gyeongwoo; Han, Jihun; Kim, Dongwon; Jung, Ok-Sang","Single crystals of cyclodimeric zinc(ii) complexes containing 9,10-bis((isoquinolin-5-yloxy)methyl)anthracene: reversible adsorption of target molecules and recognition of CH2I2 in an SCSC mode","CrystEngComm","2023","25","36","5077","5084","10.1039/D3CE00671A","","","0.71073","MoKα","","0.2581","0.132","","","0.3165","0.4546","","","","","","1.086","","","","has coordinates,has disorder","286731","2023-10-06","00:04:36",""
"7247224","10.9842","0.0003","7.9342","0.0002","25.1271","0.0007","90","","91.717","0.002","90","","2188.86","0.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H18 Cl3 N3 -","- C6 H18 Cl3 N3 -","- C48 H144 Cl24 N24 -","8","2","","Hu, Zheng-Hui; Gong, Chen; Sun, Shu-Qi; Liu, Xin-Yu; Gao, Ji-Xing","High temperature switchable dielectric properties in molecular crystal material 1,4,7-triazacyclononane trihydrochloride","CrystEngComm","2023","25","37","5304","5309","10.1039/D3CE00706E","","","0.71073","MoKα","","0.0583","0.0508","","","0.1302","0.134","","","","","","1.001","","","","has coordinates","286725","2023-10-06","00:02:46",""
"7247225","8.0176","0.0006","8.0176","0.0006","15.1832","0.0012","90","","90","","120","","845.25","0.11","403","2","403","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- C6 H18 Cl3 N3 -","- C6 H18 Cl3 N3 -","- C18 H54 Cl9 N9 -","3","0.0833333","","Hu, Zheng-Hui; Gong, Chen; Sun, Shu-Qi; Liu, Xin-Yu; Gao, Ji-Xing","High temperature switchable dielectric properties in molecular crystal material 1,4,7-triazacyclononane trihydrochloride","CrystEngComm","2023","25","37","5304","5309","10.1039/D3CE00706E","","","0.71073","MoKα","","0.1271","0.1164","","","0.3415","0.3539","","","","","","1.002","","","","has coordinates","286725","2023-10-06","00:02:47",""
"7247228","7.8341","0.0005","10.1533","0.0006","14.2642","0.0009","90","","90","","90","","1134.6","0.12","293","10","293","10","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C5 H11 Br3 F N Pb -","- C5 H11 Br3 F N Pb -","- C20 H44 Br12 F4 N4 Pb4 -","4","1","","Gan, Tian; Xu, Zhe-Kun; Gan, Jia-Qi; Wang, Zhong-Xia","Structural dimension engineering and high-temperature dielectric–optical switching in fluorine-substituted lead bromide hybrid perovskites","CrystEngComm","2023","25","35","5029","5034","10.1039/D3CE00644A","","x-ray","0.71073","MoKα","","0.079","0.0658","","","0.1615","0.1687","","","","","","1.011","","","","has coordinates","286744","2023-10-06","00:07:46",""
"7247229","12.205","0.0003","12.205","0.0003","51.295","0.003","90","","90","","90","","7641","0.5","293","2","293","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C20 H40 Br8 F8 N4 Pb2 -","- C20 H40 Br8 F8 N4 Pb2 -","- C160 H320 Br64 F64 N32 Pb16 -","8","1","","Gan, Tian; Xu, Zhe-Kun; Gan, Jia-Qi; Wang, Zhong-Xia","Structural dimension engineering and high-temperature dielectric–optical switching in fluorine-substituted lead bromide hybrid perovskites","CrystEngComm","2023","25","35","5029","5034","10.1039/D3CE00644A","","","0.71073","MoKα","","0.0979","0.071","","","0.1473","0.1575","","","","","","1.04","","","","has coordinates","286744","2023-10-06","00:07:46",""
"7247230","6.1745","0.0003","6.8716","0.0003","28.3078","0.0012","90","","96.189","0.004","90","","1194.06","0.09","93","2","93","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C13 H9 Br2 N O -","- C13 H9 Br2 N O -","- C52 H36 Br8 N4 O4 -","4","0.5","","Yoshikawa, Isao; Zhang, Zaixiang; Suzuki, Masahiro; Ikedo, Hana; Yin, Qiuxiang; Houjou, Hirohiko","Active control of molecular stacking types in a congeneric library of dihalogenated salicylideneaniline crystals and their solid solutions","CrystEngComm","2023","25","36","5109","5117","10.1039/D3CE00601H","","","0.71073","MoKα","","0.0453","0.041","","","0.0947","0.0958","","","","","","1.381","","","","has coordinates,has disorder","286735","2023-10-06","00:05:06",""
"7247231","6.0569","0.0001","6.933","0.0001","28.5038","0.0003","90","","90","","90","","1196.95","0.03","93","2","93","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C13 H9 Br2 N O -","- C13 H9 Br2 N O -","- C52 H36 Br8 N4 O4 -","4","1","","Yoshikawa, Isao; Zhang, Zaixiang; Suzuki, Masahiro; Ikedo, Hana; Yin, Qiuxiang; Houjou, Hirohiko","Active control of molecular stacking types in a congeneric library of dihalogenated salicylideneaniline crystals and their solid solutions","CrystEngComm","2023","25","36","5109","5117","10.1039/D3CE00601H","","","1.54184","CuKα","","0.0306","0.0306","","","0.0843","0.0843","","","","","","1.187","","","","has coordinates","286735","2023-10-06","00:05:07",""
"7247232","56.5791","0.001","6.894","0.0001","6.1018","0.0001","90","","90","","90","","2380.05","0.07","103","2","103","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C13 H9 Br2 N O -","- C13 H9 Br2 N O -","- C104 H72 Br16 N8 O8 -","8","1","","Yoshikawa, Isao; Zhang, Zaixiang; Suzuki, Masahiro; Ikedo, Hana; Yin, Qiuxiang; Houjou, Hirohiko","Active control of molecular stacking types in a congeneric library of dihalogenated salicylideneaniline crystals and their solid solutions","CrystEngComm","2023","25","36","5109","5117","10.1039/D3CE00601H","","","1.54184","CuKα","","0.0544","0.054","","","0.1193","0.1194","","","","","","1.375","","","","has coordinates","286735","2023-10-06","00:05:07",""
"7247233","55.8702","0.001","6.9161","0.0002","6.1083","0.0001","90","","90","","90","","2360.27","0.09","153","2","153","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C13 H9 Br Cl N O -","- C13 H9 Br Cl N O -","- C104 H72 Br8 Cl8 N8 O8 -","8","1","","Yoshikawa, Isao; Zhang, Zaixiang; Suzuki, Masahiro; Ikedo, Hana; Yin, Qiuxiang; Houjou, Hirohiko","Active control of molecular stacking types in a congeneric library of dihalogenated salicylideneaniline crystals and their solid solutions","CrystEngComm","2023","25","36","5109","5117","10.1039/D3CE00601H","","","1.54184","CuKα","","0.1201","0.1145","","","0.258","0.2599","","","","","","1.171","","","","has coordinates","286735","2023-10-06","00:05:07",""
"7247234","27.8584","0.0009","6.8627","0.0003","6.1547","0.0002","90","","95.84","0.003","90","","1170.57","0.07","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 Br Cl N O -","- C13 H9 Br Cl N O -","- C52 H36 Br4 Cl4 N4 O4 -","4","1","","Yoshikawa, Isao; Zhang, Zaixiang; Suzuki, Masahiro; Ikedo, Hana; Yin, Qiuxiang; Houjou, Hirohiko","Active control of molecular stacking types in a congeneric library of dihalogenated salicylideneaniline crystals and their solid solutions","CrystEngComm","2023","25","36","5109","5117","10.1039/D3CE00601H","","","0.71073","MoKα","","0.075","0.0662","","","0.1266","0.1299","","","","","","1.174","","","","has coordinates,has disorder","286735","2023-10-06","00:05:07",""
"7247235","56.4542","0.0012","6.902","0.0002","6.1053","0.0001","90","","90","","90","","2378.91","0.09","93","2","93","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C13 H9 Br2 N O -","- C13 H9 Br2 N O -","- C104 H72 Br16 N8 O8 -","8","1","","Yoshikawa, Isao; Zhang, Zaixiang; Suzuki, Masahiro; Ikedo, Hana; Yin, Qiuxiang; Houjou, Hirohiko","Active control of molecular stacking types in a congeneric library of dihalogenated salicylideneaniline crystals and their solid solutions","CrystEngComm","2023","25","36","5109","5117","10.1039/D3CE00601H","","","0.71073","MoKα","","0.0431","0.0391","","","0.0958","0.0976","","","","","","1.116","","","","has coordinates","286735","2023-10-06","00:05:07",""
"7247246","5.5038","0.0003","15.3084","0.0009","9.9468","0.0006","90","","92.58","0.002","90","","837.21","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Cu N4 O6 -","- C16 H14 Cu N4 O6 -","- C32 H28 Cu2 N8 O12 -","2","0.5","","Li, Wen-Ze; Li, Jing; Zhao, Hong-Tian; Zhang, Xiao-Sa; Liu, Yu; Liu, Zhi-Tong; Fu, Hong-Xin; Luan, Jian","Fabrication of two 2D Cu-based coordination polymers via a secondary ligand adjustment and a derived Cu/Cu2O heterojunction for an enhanced dye removal capacity","CrystEngComm","2023","25","37","5351","5361","10.1039/D3CE00684K","","","0.71073","MoKα","","0.0619","0.0398","","","0.0736","0.0806","","","","","","1.011","","","","has coordinates","286726","2023-10-06","00:02:55",""
"7247247","9.791","0.0015","6.3116","0.001","28.379","0.004","90","","93.082","0.004","90","","1751.2","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 Cu N4 O6 -","- C20 H14 Cu N4 O6 -","- C80 H56 Cu4 N16 O24 -","4","1","","Li, Wen-Ze; Li, Jing; Zhao, Hong-Tian; Zhang, Xiao-Sa; Liu, Yu; Liu, Zhi-Tong; Fu, Hong-Xin; Luan, Jian","Fabrication of two 2D Cu-based coordination polymers via a secondary ligand adjustment and a derived Cu/Cu2O heterojunction for an enhanced dye removal capacity","CrystEngComm","2023","25","37","5351","5361","10.1039/D3CE00684K","","","0.71073","MoKα","","0.1349","0.0608","","","0.0992","0.1214","","","","","","1","","","","has coordinates","286726","2023-10-06","00:02:56",""
"7247254","18.711","0.005","20.882","0.006","21.381","0.006","110.987","0.009","114.356","0.009","99.657","0.009","6599","3","273.15","","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C192 Ag45 Br6 F24 Sb4 -","- C192 Ag45 Br6 F24 Sb4 -","- C192 Ag45 Br6 F24 Sb4 -","1","0.5","","Gao, Yu-Quan; Wu, Wei-Hong; Mao, Hui; Zhang, Ya-Ge; Zhan, Cai-Hong; Jiang, Zhan-Guo","Transformations of silver(i) chalcogenide clusters induced by halide ions as dopant components rather than surface active species","CrystEngComm","2023","25","35","4934","4938","10.1039/D3CE00716B","","","0.71073","MoKα","","0.1824","0.1302","","","0.3554","0.402","","","","","","1.432","","","","has coordinates","286740","2023-10-06","00:06:13",""
"7247255","19.854","0.004","20.442","0.004","20.492","0.004","102.885","0.006","116.443","0.005","108.691","0.006","6365","2","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C192 H288 Ag45 Cl6 F24 Sb4 -","- C192 H288 Ag45 Cl6 F24 Sb4 -","- C192 H288 Ag45 Cl6 F24 Sb4 -","1","0.5","","Gao, Yu-Quan; Wu, Wei-Hong; Mao, Hui; Zhang, Ya-Ge; Zhan, Cai-Hong; Jiang, Zhan-Guo","Transformations of silver(i) chalcogenide clusters induced by halide ions as dopant components rather than surface active species","CrystEngComm","2023","25","35","4934","4938","10.1039/D3CE00716B","","","0.71073","MoKα","","0.2004","0.1303","","","0.3589","0.4174","","","","","","1.352","","","","has coordinates","286740","2023-10-06","00:06:13",""
"7247256","30.517","0.004","30.517","0.004","35.19","0.006","90","","90","","90","","32772","8","150","","150","","","","","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C360 H540 Ag148 Br30 S26 -","- C360 H540 Ag148 Br30 S26 -","- C720 H1080 Ag296 Br60 S52 -","2","0.125","","Gao, Yu-Quan; Wu, Wei-Hong; Mao, Hui; Zhang, Ya-Ge; Zhan, Cai-Hong; Jiang, Zhan-Guo","Transformations of silver(i) chalcogenide clusters induced by halide ions as dopant components rather than surface active species","CrystEngComm","2023","25","35","4934","4938","10.1039/D3CE00716B","","","0.71073","MoKα","","0.1586","0.1233","","","0.3418","0.3783","","","","","","1.511","","","","has coordinates,has disorder","286740","2023-10-06","00:06:13",""
"7247266","22.261","0.003","14.2526","0.0016","7.7279","0.0011","90","","108.177","0.005","90","","2329.5","0.5","100","2","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H10 Ag N4 O3 -","- C7 H10 Ag N4 O3 -","- C56 H80 Ag8 N32 O24 -","8","1","","Nalaoh, Phattananawee; Jenkins, David M.","Di-triazole boat conformation leads to metal–organic nanotube while chair conformation leads to coordination polymer","CrystEngComm","2023","25","35","4929","4933","10.1039/D3CE00835E","","x-ray","0.71073","MoKα","","0.1131","0.0893","","","0.2077","0.2186","","","","","","1.082","","","","has coordinates","286739","2023-10-06","00:05:56",""
"7247267","12.7466","0.001","17.0131","0.0012","6.1821","0.0004","90","","90","","90","","1340.65","0.17","100","2","100","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C14 H20 N6 -","- C14 H20 N6 -","- C56 H80 N24 -","4","1","","Nalaoh, Phattananawee; Jenkins, David M.","Di-triazole boat conformation leads to metal–organic nanotube while chair conformation leads to coordination polymer","CrystEngComm","2023","25","35","4929","4933","10.1039/D3CE00835E","","x-ray","0.71073","MoKα","","0.0831","0.0649","","","0.1183","0.125","","","","","","1.082","","","","has coordinates","286739","2023-10-06","00:05:56",""
"7247268","15.4247","0.0006","9.6024","0.0004","10.6881","0.0005","90","","98.793","0.002","90","","1564.45","0.12","100","2","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H14 F6 O6 S2 -","- C10 H14 F6 O6 S2 -","- C40 H56 F24 O24 S8 -","4","0.5","","Nalaoh, Phattananawee; Jenkins, David M.","Di-triazole boat conformation leads to metal–organic nanotube while chair conformation leads to coordination polymer","CrystEngComm","2023","25","35","4929","4933","10.1039/D3CE00835E","","x-ray","0.71073","MoKα","","0.028","0.025","","","0.0627","0.0642","","","","","","1.094","","","","has coordinates","286739","2023-10-06","00:05:56",""
"7247269","6.6612","0.0006","7.092","0.0007","15.1212","0.0015","94.455","0.004","98.312","0.003","90.959","0.004","704.42","0.12","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H26 F6 N8 O6 S2 -","- C20 H26 F6 N8 O6 S2 -","- C20 H26 F6 N8 O6 S2 -","1","0.5","","Nalaoh, Phattananawee; Jenkins, David M.","Di-triazole boat conformation leads to metal–organic nanotube while chair conformation leads to coordination polymer","CrystEngComm","2023","25","35","4929","4933","10.1039/D3CE00835E","","","0.71073","MoKα","","0.0558","0.047","","","0.1156","0.1208","","","","","","1.049","","","","has coordinates","286739","2023-10-06","00:05:56",""
"7247270","12.5507","0.0004","12.907","0.0005","9.9446","0.0004","90","","108.336","0.001","90","","1529.15","0.1","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 Ag N7 O3 -","- C12 H18 Ag N7 O3 -","- C48 H72 Ag4 N28 O12 -","4","1","","Nalaoh, Phattananawee; Jenkins, David M.","Di-triazole boat conformation leads to metal–organic nanotube while chair conformation leads to coordination polymer","CrystEngComm","2023","25","35","4929","4933","10.1039/D3CE00835E","","x-ray","0.71073","MoKα","","0.0202","0.0172","","","0.0399","0.0415","","","","","","1.031","","","","has coordinates,has disorder","286739","2023-10-06","00:05:56",""
"7247271","8.4768","0.0017","10.883","0.002","13.588","0.003","90","","92.07","0.007","90","","1252.7","0.4","100","2","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 N6 -","- C12 H18 N6 -","- C48 H72 N24 -","4","1","","Nalaoh, Phattananawee; Jenkins, David M.","Di-triazole boat conformation leads to metal–organic nanotube while chair conformation leads to coordination polymer","CrystEngComm","2023","25","35","4929","4933","10.1039/D3CE00835E","","x-ray","0.71073","MoKα","","0.0464","0.0403","","","0.0953","0.0981","","","","","","1.136","","","","has coordinates","286739","2023-10-06","00:05:56",""
"7247272","27.7261","0.0008","27.7261","0.0008","28.5384","0.0008","90","","90","","90","","21938.5","1.1","173","2","173","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C33 H53 N7 O16 S4 Zn2 -","- C22 H14 N3 O8 S4 Zn2 -","- C352 H224 N48 O128 S64 Zn32 -","16","0.5","","Liang, Yu-Jie; Liu, Liu; Yao, Jun; Deng, Min; Xu, Quan-Qing; Zhu, Ai-Xin; Huang, Bo","Two flexible zinc–triazole–dicarboxylate frameworks: breathing behaviors for CO2 uptake and dye adsorption properties","CrystEngComm","2023","25","36","5174","5183","10.1039/D3CE00787A","","","1.54178","CuKα","","0.0953","0.0642","","","0.1815","0.2136","","","","","","1.059","","","","has coordinates,has disorder","286730","2023-10-06","00:04:24",""
"7247273","13.3634","0.0004","13.3634","0.0004","30.7634","0.0009","90","","90","","90","","5493.7","0.3","299","2","299","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C17 H21 N7 O7 S2 Zn2 -","- C14 H10 N6 O4 S2 Zn2 -","- C112 H80 N48 O32 S16 Zn16 -","8","0.5","","Liang, Yu-Jie; Liu, Liu; Yao, Jun; Deng, Min; Xu, Quan-Qing; Zhu, Ai-Xin; Huang, Bo","Two flexible zinc–triazole–dicarboxylate frameworks: breathing behaviors for CO2 uptake and dye adsorption properties","CrystEngComm","2023","25","36","5174","5183","10.1039/D3CE00787A","","","1.54178","CuKα","","0.0412","0.0399","","","0.121","0.1221","","","","","","1.081","","","","has coordinates,has disorder","286730","2023-10-06","00:04:24",""
"7247275","19.06366","0.0001","9.17342","0.00006","24.46359","0.00014","90","","96.298","0.0005","90","","4252.35","0.04","100.01","0.1","100.01","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C46 H36 Cu F3 N6 O3 P2 S -","- C46 H36 Cu F3 N6 O3 P2 S -","- C184 H144 Cu4 F12 N24 O12 P8 S4 -","4","1","","Sun, Zhen-Zhou; Hu, Fu-Zhen; Gao, Cheng-Jie; Mou, Wen-Long; Wang, Guo; Zhu, Ning; Pan, Xun; Li, Zhong-Feng; Han, Hong-Liang; Fu, Hongbing; Xin, Xiu-Lan; Dai, Lixiong; Jin, Qiong-Hua; Qiu, Qi-Ming","One-dimensional infinite chain Ag(i) complex with high quantum yield and TADF property: prepared by metal ion adjustment","CrystEngComm","2023","25","38","5405","5412","10.1039/D3CE00764B","","x-ray","1.54184","CuKα","","0.0326","0.0309","","","0.0814","0.0825","","","","","","1.048","","","","has coordinates","286746","2023-10-06","00:08:16",""
"7247276","13.589","0.003","18.55","0.004","24.627","0.005","80.807","0.003","89.307","0.003","89.793","0.005","6128","2","118","2","118","2","","","","","","","","8","P -1","-P 1","2","","","","- C57 H44 Ag2 F6 N6 O6 P2 S2 -","- C57 H44 Ag2 F6 N6 O6 P2 S2 -","- C228 H176 Ag8 F24 N24 O24 P8 S8 -","4","2","","Sun, Zhen-Zhou; Hu, Fu-Zhen; Gao, Cheng-Jie; Mou, Wen-Long; Wang, Guo; Zhu, Ning; Pan, Xun; Li, Zhong-Feng; Han, Hong-Liang; Fu, Hongbing; Xin, Xiu-Lan; Dai, Lixiong; Jin, Qiong-Hua; Qiu, Qi-Ming","One-dimensional infinite chain Ag(i) complex with high quantum yield and TADF property: prepared by metal ion adjustment","CrystEngComm","2023","25","38","5405","5412","10.1039/D3CE00764B","","","0.71073","MoKα","","0.087","0.0578","","","0.1248","0.1429","","","","","","1.039","","","","has coordinates","286746","2023-10-06","00:08:16",""
"7247277","13.9056","0.0002","22.9786","0.0002","14.7403","0.0002","90","","116.689","0.002","90","","4208.17","0.12","172.97","0.1","172.97","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C46 H36 Ag F3 N6 O3 P2 S -","- C46 H36 Ag F3 N6 O3 P2 S -","- C184 H144 Ag4 F12 N24 O12 P8 S4 -","4","1","","Sun, Zhen-Zhou; Hu, Fu-Zhen; Gao, Cheng-Jie; Mou, Wen-Long; Wang, Guo; Zhu, Ning; Pan, Xun; Li, Zhong-Feng; Han, Hong-Liang; Fu, Hongbing; Xin, Xiu-Lan; Dai, Lixiong; Jin, Qiong-Hua; Qiu, Qi-Ming","One-dimensional infinite chain Ag(i) complex with high quantum yield and TADF property: prepared by metal ion adjustment","CrystEngComm","2023","25","38","5405","5412","10.1039/D3CE00764B","","x-ray","1.54184","CuKα","","0.0737","0.0687","","","0.1864","0.1911","","","","","","1.075","","","","has coordinates,has disorder","286746","2023-10-06","00:08:16",""
"7247278","3.889","0.002","13.249","0.008","14.043","0.009","90","","91.986","0.009","90","","723.1","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H7 B O3 -","- C7 H7 B O3 -","- C28 H28 B4 O12 -","4","1","","Li, Guoyan; Yang, Xiaofeng; Miao, Jinling; Cui, Yu; Sun, Guoxin; Li, Yexin","Substitution position regulating the excitation-dependent fluorescence–phosphorescence emission of formylphenylboronic acids for single-component white light and anticounterfeiting","CrystEngComm","2023","25","38","5479","5485","10.1039/D3CE00725A","","","0.71073","MoKα","","0.0685","0.0562","","","0.1779","0.1929","","","","","","1.154","","","","has coordinates","286745","2023-10-06","00:07:56",""
"7247279","22.75","0.007","3.8166","0.0011","17.211","0.005","90","","101.691","0.004","90","","1463.4","0.7","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C7 H7 B O3 -","- C7 H7 B O3 -","- C56 H56 B8 O24 -","8","1","","Li, Guoyan; Yang, Xiaofeng; Miao, Jinling; Cui, Yu; Sun, Guoxin; Li, Yexin","Substitution position regulating the excitation-dependent fluorescence–phosphorescence emission of formylphenylboronic acids for single-component white light and anticounterfeiting","CrystEngComm","2023","25","38","5479","5485","10.1039/D3CE00725A","","","0.71073","MoKα","","0.0585","0.0439","","","0.1252","0.1377","","","","","","1.009","","","","has coordinates","286745","2023-10-06","00:07:56",""
"7247280","18.046","0.0012","8.3234","0.0005","18.3738","0.0012","90","","118.457","0.003","90","","2426.4","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 N2 Se2 -","- C12 H12 N2 Se2 -","- C96 H96 N16 Se16 -","8","2","","Alfuth, Jan; Jeannin, Olivier; Fourmigué, Marc","Chalcogen bonding interactions in a series of aromatic selenocyanates","CrystEngComm","2023","25","37","5316","5323","10.1039/D3CE00745F","","x-ray","0.71073","MoKα","","0.0694","0.0373","","","0.0609","0.0669","","","","","","0.977","","","","has coordinates","286729","2023-10-06","00:03:34",""
"7247281","11.563","0.006","17.139","0.008","4.8436","0.0019","90","","90","","90","","959.9","0.8","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C8 H4 N2 Se2 -","- C8 H4 N2 Se2 -","- C32 H16 N8 Se8 -","4","0.5","","Alfuth, Jan; Jeannin, Olivier; Fourmigué, Marc","Chalcogen bonding interactions in a series of aromatic selenocyanates","CrystEngComm","2023","25","37","5316","5323","10.1039/D3CE00745F","","x-ray","0.71073","MoKα","","0.1206","0.0688","","","0.1798","0.2156","","","","","","1.049","","","","has coordinates","286729","2023-10-06","00:03:34",""
"7247282","9.117","0.0012","4.0552","0.0005","11.8113","0.0013","90","","95.91","0.005","90","","434.36","0.09","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H4 N2 Se2 -","- C8 H4 N2 Se2 -","- C16 H8 N4 Se4 -","2","0.5","","Alfuth, Jan; Jeannin, Olivier; Fourmigué, Marc","Chalcogen bonding interactions in a series of aromatic selenocyanates","CrystEngComm","2023","25","37","5316","5323","10.1039/D3CE00745F","","x-ray","0.71073","MoKα","","0.0214","0.0184","","","0.0422","0.0435","","","","","","1.114","","","","has coordinates","286729","2023-10-06","00:03:34",""
"7247283","11.2833","0.0019","18.088","0.003","4.056","0.0007","90","","90","","90","","827.8","0.2","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H2 N2 S Se2 -","- C6 H2 N2 S Se2 -","- C24 H8 N8 S4 Se8 -","4","0.5","","Alfuth, Jan; Jeannin, Olivier; Fourmigué, Marc","Chalcogen bonding interactions in a series of aromatic selenocyanates","CrystEngComm","2023","25","37","5316","5323","10.1039/D3CE00745F","","x-ray","0.71073","MoKα","","0.0194","0.0182","","","0.0449","0.0453","","","","","","1.095","","","","has coordinates","286729","2023-10-06","00:03:34",""
"7247284","7.4494","0.0015","9.201","0.002","12.306","0.003","74.58","0.008","89.306","0.007","88.669","0.007","812.9","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H23 N7 Se4 -","- C34 H23 N7 Se4 -","- C34 H23 N7 Se4 -","1","0.5","","Alfuth, Jan; Jeannin, Olivier; Fourmigué, Marc","Chalcogen bonding interactions in a series of aromatic selenocyanates","CrystEngComm","2023","25","37","5316","5323","10.1039/D3CE00745F","","x-ray","0.71073","MoKα","","0.0361","0.032","","","0.0759","0.0783","","","","","","1.136","","","","has coordinates,has disorder","286729","2023-10-06","00:03:34",""
"7247285","8.8342","0.0015","14.079","0.003","7.6447","0.0014","90","","110.592","0.007","90","","890.1","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 N4 Se2 -","- C20 H14 N4 Se2 -","- C40 H28 N8 Se4 -","2","0.5","","Alfuth, Jan; Jeannin, Olivier; Fourmigué, Marc","Chalcogen bonding interactions in a series of aromatic selenocyanates","CrystEngComm","2023","25","37","5316","5323","10.1039/D3CE00745F","","x-ray","0.71073","MoKα","","0.021","0.0194","","","0.0498","0.0507","","","","","","1.095","","","","has coordinates","286729","2023-10-06","00:03:34",""
"7247286","8.3175","0.0007","9.85","0.0005","7.6668","0.0005","90","","101.728","0.007","90","","615.01","0.07","140","0.1","140","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H10 Cl4 I N -","- C7 H10 Cl4 I N -","- C14 H20 Cl8 I2 N2 -","2","0.5","","Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Sukhikh, Taisiya S.; Adonin, Sergey A.","Halogen bonding in chloroiodates(iii)","CrystEngComm","2023","25","37","5233","5237","10.1039/D3CE00400G","","x-ray","0.71073","MoKα","","0.0557","0.0392","","","0.0905","0.1035","","","","","","1.045","","","","has coordinates,has disorder","286724","2023-10-06","00:02:38",""
"7247287","4.3707","0.0003","11.8303","0.0009","11.8442","0.001","90","","92.985","0.003","90","","611.59","0.08","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H10 Cl4 I N -","- C7 H10 Cl4 I N -","- C14 H20 Cl8 I2 N2 -","2","0.5","","Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Sukhikh, Taisiya S.; Adonin, Sergey A.","Halogen bonding in chloroiodates(iii)","CrystEngComm","2023","25","37","5233","5237","10.1039/D3CE00400G","","","0.71073","MoKα","","0.0242","0.0191","","","0.0415","0.0432","","","","","","1.04","","","","has coordinates,has disorder","286724","2023-10-06","00:02:38",""
"7247288","7.4887","0.0005","7.6756","0.0005","8.0494","0.0005","93.199","0.002","110.363","0.002","95.058","0.003","430.22","0.05","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H14 Cl5 I N2 -","- C12 H14 Cl5 I N2 -","- C12 H14 Cl5 I N2 -","1","0.5","","Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Sukhikh, Taisiya S.; Adonin, Sergey A.","Halogen bonding in chloroiodates(iii)","CrystEngComm","2023","25","37","5233","5237","10.1039/D3CE00400G","","","0.71073","MoKα","","0.0293","0.0282","","","0.0619","0.0625","","","","","","1.079","","","","has coordinates","286724","2023-10-06","00:02:38",""
"7247289","17.4476","0.0006","9.9715","0.0004","7.8504","0.0003","90","","102.6","0.001","90","","1332.91","0.09","150","2","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H12 Cl4 I N -","- C8 H12 Cl4 I N -","- C32 H48 Cl16 I4 N4 -","4","0.5","","Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Sukhikh, Taisiya S.; Adonin, Sergey A.","Halogen bonding in chloroiodates(iii)","CrystEngComm","2023","25","37","5233","5237","10.1039/D3CE00400G","","","0.71073","MoKα","","0.022","0.0166","","","0.0351","0.0365","","","","","","1.058","","","","has coordinates","286724","2023-10-06","00:02:38",""
"7247290","16.4343","0.0005","16.4343","0.0005","11.4451","0.0004","90","","90","","120","","2677.03","0.15","140","0.1","140","0.1","","","","","","","","5","P 32","P 32","145","","","","- C4 H12 Cl4 I N -","- C4 H12 Cl4 I N -","- C36 H108 Cl36 I9 N9 -","9","3","","Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Sukhikh, Taisiya S.; Adonin, Sergey A.","Halogen bonding in chloroiodates(iii)","CrystEngComm","2023","25","37","5233","5237","10.1039/D3CE00400G","","","0.71073","MoKα","","0.0399","0.0353","","","0.0614","0.0643","","","","","","1.027","","","","has coordinates,has disorder","286724","2023-10-06","00:02:38",""
"7247291","8.4156","0.0004","16.0769","0.0006","10.9381","0.0004","90","","103.705","0.004","90","","1437.75","0.1","140","0.1","140","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H14 Cl4 I N -","- C9 H14 Cl4 I N -","- C36 H56 Cl16 I4 N4 -","4","1","","Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Sukhikh, Taisiya S.; Adonin, Sergey A.","Halogen bonding in chloroiodates(iii)","CrystEngComm","2023","25","37","5233","5237","10.1039/D3CE00400G","","x-ray","0.71073","MoKα","","0.0366","0.0281","","","0.043","0.0468","","","","","","1.042","","","","has coordinates","286724","2023-10-06","00:02:38",""
"7247292","11.5876","0.0008","11.5876","0.0008","16.4371","0.0015","90","","90","","90","","2207.1","0.3","150","2","150","","","","","","","","","5","P 42 b c","P 4c -2ab","106","","","","- C12 H14 Cl8 I2 N2 -","- C12 H14 Cl8 I2 N2 -","- C48 H56 Cl32 I8 N8 -","4","0.5","","Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Sukhikh, Taisiya S.; Adonin, Sergey A.","Halogen bonding in chloroiodates(iii)","CrystEngComm","2023","25","37","5233","5237","10.1039/D3CE00400G","","","0.71073","MoKα","","0.0398","0.03","","","0.0525","0.057","","","","","","1.027","","","","has coordinates","286724","2023-10-06","00:02:38",""
"7247293","11.3598","0.0015","8.5116","0.0011","15.14","0.002","90","","110.486","0.004","90","","1371.3","0.3","150","2","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 Cl4 I N -","- C8 H12 Cl4 I N -","- C32 H48 Cl16 I4 N4 -","4","1","","Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Sukhikh, Taisiya S.; Adonin, Sergey A.","Halogen bonding in chloroiodates(iii)","CrystEngComm","2023","25","37","5233","5237","10.1039/D3CE00400G","","","0.71073","MoKα","","0.0517","0.0406","","","0.0966","0.1035","","","","","","1.031","","","","has coordinates","286724","2023-10-06","00:02:38",""
"7247294","8.2044","0.0002","9.6553","0.0003","8.2874","0.0002","90","","105.887","0.001","90","","631.42","0.03","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H7 Cl5 I N -","- C6 H7 Cl5 I N -","- C12 H14 Cl10 I2 N2 -","2","1","","Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Sukhikh, Taisiya S.; Adonin, Sergey A.","Halogen bonding in chloroiodates(iii)","CrystEngComm","2023","25","37","5233","5237","10.1039/D3CE00400G","","","0.71073","MoKα","","0.015","0.0145","","","0.0336","0.0338","","","","","","1.053","","","","has coordinates","286724","2023-10-06","00:02:38",""
"7247303","20.1166","0.0014","10.6178","0.0007","16.0756","0.0011","90","","108.39","0.0012","90","","3258.3","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C29.2 H27.6 O14.6 Zn3 -","- C29.2 H27.6 O14.6 Zn3 -","- C116.8 H110.4 O58.4 Zn12 -","4","0.5","","Toledo-Jaldín, Helen Paola; Pinzón-Vanegas, Cristian; León-Gómez, Juan Pablo; Blanco Flores, Alien; Martínez-Otero, Diego; Reyes Domínguez, Iván A.; Canseco-González, Daniel; Rosales-Vázquez, Luis D.; Salomón-Flores, María K.; Dorazco-González, Alejandro","Sensitive luminescent chemosensing of fluoride based on Eu-doped Zn-LMOF in aqueous media: structural and spectroscopic studies","CrystEngComm","2023","25","26","3766","3776","10.1039/D3CE00434A","","","0.71073","MoKα","","0.0488","0.0456","","","0.123","0.1257","","","","","","1.068","","","","has coordinates,has disorder","285984","2023-09-04","09:35:59",""
"7247304","15.3926","0.0004","54.654","0.0013","16.2237","0.0004","90","","90","","90","","13648.5","0.6","296","2","296","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C34 H37 Co N4 O8.5 -","- C34 H34 Co N4 O8.5 -","- C544 H544 Co16 N64 O136 -","16","1","","Huang, Wei-Chun; Chen, Wei-Hao; Chen, Chia-Ling; Liao, Tsung-Te; Chen, Yi-Wun; Chen, Jhy-Der","Formation of entangled Co(ii) coordination polymers based on bis-pyridyl-bis-amide and angular dicarboxylate ligands: a structural comparison","CrystEngComm","2023","25","39","5575","5587","10.1039/D3CE00803G","","","0.71073","MoKα","","0.0903","0.0469","","","0.1148","0.1388","","","","","","1.009","","","","has coordinates,has disorder","287340","2023-11-06","07:25:50",""
"7247305","14.3467","0.0003","24.9926","0.0004","17.2868","0.0003","90","","101.204","0.001","90","","6080.25","0.19","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57 H60 Co2 N7 O15 -","- C57 H63 Co2 N7 O15 -","- C228 H252 Co8 N28 O60 -","4","1","","Huang, Wei-Chun; Chen, Wei-Hao; Chen, Chia-Ling; Liao, Tsung-Te; Chen, Yi-Wun; Chen, Jhy-Der","Formation of entangled Co(ii) coordination polymers based on bis-pyridyl-bis-amide and angular dicarboxylate ligands: a structural comparison","CrystEngComm","2023","25","39","5575","5587","10.1039/D3CE00803G","","","0.71073","MoKα","","0.1547","0.0758","","","0.2027","0.2461","","","","","","1.015","","","","has coordinates,has disorder","287340","2023-11-06","07:25:53",""
"7247306","27.658","0.0009","11.2065","0.0004","24.7275","0.0008","90","","114.988","0.0016","90","","6946.9","0.4","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H37 Co N4 O9.5 S -","- C34 H37 Co N4 O9.5 S -","- C272 H296 Co8 N32 O76 S8 -","8","1","","Huang, Wei-Chun; Chen, Wei-Hao; Chen, Chia-Ling; Liao, Tsung-Te; Chen, Yi-Wun; Chen, Jhy-Der","Formation of entangled Co(ii) coordination polymers based on bis-pyridyl-bis-amide and angular dicarboxylate ligands: a structural comparison","CrystEngComm","2023","25","39","5575","5587","10.1039/D3CE00803G","","","0.71073","MoKα","","0.0531","0.0357","","","0.1066","0.1222","","","","","","1.043","","","","has coordinates","287340","2023-11-06","07:25:56",""
"7247307","12.7831","0.0007","14.0167","0.001","13.2901","0.001","90","","93.441","0.003","90","","2377","0.3","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 Co N2 O6 -","- C25 H25 Co N2 O6 -","- C100 H100 Co4 N8 O24 -","4","1","","Huang, Wei-Chun; Chen, Wei-Hao; Chen, Chia-Ling; Liao, Tsung-Te; Chen, Yi-Wun; Chen, Jhy-Der","Formation of entangled Co(ii) coordination polymers based on bis-pyridyl-bis-amide and angular dicarboxylate ligands: a structural comparison","CrystEngComm","2023","25","39","5575","5587","10.1039/D3CE00803G","","","0.71073","MoKα","","0.1117","0.0512","","","0.0877","0.1023","","","","","","1.023","","","","has coordinates","287340","2023-11-06","07:26:06",""
"7247308","14.1784","0.0004","28.3482","0.0007","11.4749","0.0003","90","","103.114","0.0012","90","","4491.8","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H30 Co N4 O11 S -","- C38 H30 Co N4 O11 S -","- C152 H120 Co4 N16 O44 S4 -","4","1","","Huang, Wei-Chun; Chen, Wei-Hao; Chen, Chia-Ling; Liao, Tsung-Te; Chen, Yi-Wun; Chen, Jhy-Der","Formation of entangled Co(ii) coordination polymers based on bis-pyridyl-bis-amide and angular dicarboxylate ligands: a structural comparison","CrystEngComm","2023","25","39","5575","5587","10.1039/D3CE00803G","","","0.71073","MoKα","","0.1553","0.061","","","0.1208","0.1438","","","","","","1.009","","","","has coordinates","287340","2023-11-06","07:26:06",""
"7247309","11.8533","0.0002","14.3536","0.0003","18.8237","0.0004","90","","94.5365","0.0012","90","","3192.58","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H32 Co N4 O8 -","- C31 H32 Co N4 O8 -","- C124 H128 Co4 N16 O32 -","4","1","","Huang, Wei-Chun; Chen, Wei-Hao; Chen, Chia-Ling; Liao, Tsung-Te; Chen, Yi-Wun; Chen, Jhy-Der","Formation of entangled Co(ii) coordination polymers based on bis-pyridyl-bis-amide and angular dicarboxylate ligands: a structural comparison","CrystEngComm","2023","25","39","5575","5587","10.1039/D3CE00803G","","","0.71073","MoKα","","0.1117","0.0604","","","0.1471","0.1689","","","","","","1.03","","","","has coordinates","287340","2023-11-06","07:26:09",""
"7247310","21.6886","0.001","12.8559","0.0007","20.7441","0.0011","90","","103.494","0.003","90","","5624.3","0.5","299","2","299","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H25 Co N2 O9 S -","- C24 H21 Co N2 O9 S -","- C192 H168 Co8 N16 O72 S8 -","8","1","","Huang, Wei-Chun; Chen, Wei-Hao; Chen, Chia-Ling; Liao, Tsung-Te; Chen, Yi-Wun; Chen, Jhy-Der","Formation of entangled Co(ii) coordination polymers based on bis-pyridyl-bis-amide and angular dicarboxylate ligands: a structural comparison","CrystEngComm","2023","25","39","5575","5587","10.1039/D3CE00803G","","","0.71073","MoKα","","0.1104","0.0784","","","0.2166","0.2383","","","","","","1.082","","","","has coordinates,has disorder","287340","2023-11-06","07:26:18",""
"7247311","11.3937","0.0003","22.6845","0.0005","13.7311","0.0003","90","","93.2983","0.0012","90","","3543.07","0.14","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H36 Co N4 O11 -","- C39 H36 Co N4 O11 -","- C156 H144 Co4 N16 O44 -","4","1","","Huang, Wei-Chun; Chen, Wei-Hao; Chen, Chia-Ling; Liao, Tsung-Te; Chen, Yi-Wun; Chen, Jhy-Der","Formation of entangled Co(ii) coordination polymers based on bis-pyridyl-bis-amide and angular dicarboxylate ligands: a structural comparison","CrystEngComm","2023","25","39","5575","5587","10.1039/D3CE00803G","","","0.71073","MoKα","","0.0659","0.0593","","","0.1794","0.1848","","","","","","1.036","","","","has coordinates","287340","2023-11-06","07:26:21",""
"7247312","12.8615","0.0004","13.3572","0.0004","13.9703","0.0004","71.1164","0.0014","76.1766","0.0014","88.4604","0.0015","2201.74","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H28 Co N4 O9 -","- C38 H28 Co N4 O9 -","- C76 H56 Co2 N8 O18 -","2","1","","Huang, Wei-Chun; Chen, Wei-Hao; Chen, Chia-Ling; Liao, Tsung-Te; Chen, Yi-Wun; Chen, Jhy-Der","Formation of entangled Co(ii) coordination polymers based on bis-pyridyl-bis-amide and angular dicarboxylate ligands: a structural comparison","CrystEngComm","2023","25","39","5575","5587","10.1039/D3CE00803G","","","0.71073","MoKα","","0.0587","0.038","","","0.0919","0.0987","","","","","","1.058","","","","has coordinates","287340","2023-11-06","07:26:31",""
"7247313","21.402","0.005","7.777","0.0017","23.478","0.005","90","","90","","90","","3907.8","1.5","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C41 H30 Co F6 N4 O9 -","- C41 H30 Co F6 N4 O9 -","- C164 H120 Co4 F24 N16 O36 -","4","1","","Huang, Wei-Chun; Chen, Wei-Hao; Chen, Chia-Ling; Liao, Tsung-Te; Chen, Yi-Wun; Chen, Jhy-Der","Formation of entangled Co(ii) coordination polymers based on bis-pyridyl-bis-amide and angular dicarboxylate ligands: a structural comparison","CrystEngComm","2023","25","39","5575","5587","10.1039/D3CE00803G","","","0.71073","MoKα","","0.0993","0.0672","","","0.1627","0.1807","","","","","","1.05","","","","has coordinates","287340","2023-11-06","07:26:34",""
"7247314","9.4393","0.001","11.7938","0.0012","12.8424","0.0012","75.714","0.003","89.665","0.003","77.614","0.003","1351.5","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","1,3,5-tris(4-chloro-phenoxymethyl)mesitylene","","- C30 H27 Cl3 O3 -","- C30 H27 Cl3 O3 -","- C60 H54 Cl6 O6 -","2","1","","Dutta, Dipjyoti; Gogoi, Anamika; Dutta, Rupjyoti; Harmalkar, Sarvesh S.; Lama, Prem; Dey, Sandeep Kumar","C–H hydrogen bond and halogen bond directed self-assembly of ethereal podands and C–X⋯F−/HF2− halogen bonding in solution","CrystEngComm","2023","25","40","5650","5659","10.1039/D3CE00599B","","","0.71073","MoKα","","0.1039","0.0731","","","0.159","0.1749","","","","","","1.087","","","","has coordinates","287343","2023-11-06","07:27:40",""
"7247315","9.645","0.003","12.616","0.004","14.168","0.005","106.195","0.01","93.337","0.01","93.16","0.009","1648.2","0.9","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","1,3,5-tris(4-iodo-phenoxymethyl)mesitylene","","- C30 H27 I3 O3 -","- C30 H27 I3 O3 -","- C60 H54 I6 O6 -","2","1","","Dutta, Dipjyoti; Gogoi, Anamika; Dutta, Rupjyoti; Harmalkar, Sarvesh S.; Lama, Prem; Dey, Sandeep Kumar","C–H hydrogen bond and halogen bond directed self-assembly of ethereal podands and C–X⋯F−/HF2− halogen bonding in solution","CrystEngComm","2023","25","40","5650","5659","10.1039/D3CE00599B","","","0.71073","MoKα","","0.1102","0.0798","","","0.1896","0.2059","","","","","","1.067","","","","has coordinates,has disorder","287343","2023-11-06","07:27:40",""
"7247316","30.916","0.01","8.682","0.003","25.527","0.008","90","","119.415","0.011","90","","5968","3","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,3,5-tris(4-cyano-phenoxymethyl)mesitylene","","- C33 H27 N3 O3 -","- C33 H27 N3 O3 -","- C264 H216 N24 O24 -","8","1","","Dutta, Dipjyoti; Gogoi, Anamika; Dutta, Rupjyoti; Harmalkar, Sarvesh S.; Lama, Prem; Dey, Sandeep Kumar","C–H hydrogen bond and halogen bond directed self-assembly of ethereal podands and C–X⋯F−/HF2− halogen bonding in solution","CrystEngComm","2023","25","40","5650","5659","10.1039/D3CE00599B","","","0.71073","MoKα","","0.1527","0.0999","","","0.2278","0.2567","","","","","","1.095","","","","has coordinates,has disorder","287343","2023-11-06","07:27:40",""
"7247317","9.4811","0.0015","12.591","0.002","13.809","0.002","107.591","0.005","95.204","0.005","91.591","0.005","1562.3","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","1,3,5-tris(4-bromo-phenoxymethyl)mesitylene","","- C63 H60 Br6 O7 -","- C63 H60 Br6 O7 -","- C63 H60 Br6 O7 -","1","0.5","","Dutta, Dipjyoti; Gogoi, Anamika; Dutta, Rupjyoti; Harmalkar, Sarvesh S.; Lama, Prem; Dey, Sandeep Kumar","C–H hydrogen bond and halogen bond directed self-assembly of ethereal podands and C–X⋯F−/HF2− halogen bonding in solution","CrystEngComm","2023","25","40","5650","5659","10.1039/D3CE00599B","","","0.71073","MoKα","","0.1257","0.0839","","","0.2442","0.2816","","","","","","1.044","","","","has coordinates","287343","2023-11-06","07:27:40",""
"7247326","11.0587","0.0004","11.8069","0.0005","14.601","0.0006","78.679","0.001","76.705","0.001","77.663","0.001","1790.65","0.12","100","2","99.99","","","","","","","","","6","P -1","-P 1","2","","","","- C37 H36 F3 N9 O4 S -","- C37 H36 F3 N9 O4 S -","- C74 H72 F6 N18 O8 S2 -","2","1","","Rai, Sunil K.; Gunnam, Anilkumar; Roy, Debopriya; Rajput, Raveena; Kulkarni, Kiran; Nangia, Ashwini K.","Cocrystallization of multi-kinase inhibitor pazopanib with fenamic acids: improving dissolution and inhibiting cell migration","CrystEngComm","2023","25","39","5565","5574","10.1039/D3CE00773A","","","0.71073","MoKα","","0.0688","0.0603","","","0.1647","0.1766","","","","","","1.085","","","","has coordinates","287342","2023-11-06","07:27:01",""
"7247327","9.3626","0.0003","18.0718","0.0008","19.7247","0.0009","90","","94.683","0.001","90","","3326.3","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H32 F3 N9 O4 S -","- C34 H32 F3 N9 O4 S -","- C136 H128 F12 N36 O16 S4 -","4","1","","Rai, Sunil K.; Gunnam, Anilkumar; Roy, Debopriya; Rajput, Raveena; Kulkarni, Kiran; Nangia, Ashwini K.","Cocrystallization of multi-kinase inhibitor pazopanib with fenamic acids: improving dissolution and inhibiting cell migration","CrystEngComm","2023","25","39","5565","5574","10.1039/D3CE00773A","","","0.71073","MoKα","","0.0678","0.0507","","","0.1169","0.1262","","","","","","1.048","","","","has coordinates","287342","2023-11-06","07:27:05",""
"7247328","10.125","0.011","18.32","0.02","20.77","0.02","68.4","0.04","89.7","0.04","81.04","0.04","3533","7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H36 F3 N9 O4 S -","- C37 H36 F3 N9 O4 S -","- C148 H144 F12 N36 O16 S4 -","4","2","","Rai, Sunil K.; Gunnam, Anilkumar; Roy, Debopriya; Rajput, Raveena; Kulkarni, Kiran; Nangia, Ashwini K.","Cocrystallization of multi-kinase inhibitor pazopanib with fenamic acids: improving dissolution and inhibiting cell migration","CrystEngComm","2023","25","39","5565","5574","10.1039/D3CE00773A","","","0.71073","MoKα","","0.1159","0.1099","","","0.324","0.3363","","","","","","1.568","","","","has coordinates","287342","2023-11-06","07:27:15",""
"7247329","21.7912","0.0013","20.2706","0.0013","10.2341","0.0006","90","","102.939","0.002","90","","4405.8","0.5","120","2","120.02","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H39 Mn3 N15 O13 -","- C33 H39 Mn3 N15 O13 -","- C132 H156 Mn12 N60 O52 -","4","0.5","","Zhong, Yun-Jing; Ouyang, Zhi-Jian; Kuang, Xiao-Man; Li, You-Hong; Chen, Wen-Bin; Yang, Meng; Dong, Wen","Solvent effect on the structures of three manganese complexes based on azotetrazole-3-hydroxy-2-naphthoic acid: synthesis, structures, and magnetic and fluorescent properties","CrystEngComm","2023","25","39","5524","5532","10.1039/D3CE00678F","","","0.71073","MoKα","","0.0898","0.0546","","","0.1495","0.1674","","","","","","1.049","","","","has coordinates,has disorder","287341","2023-11-06","07:26:52",""
"7247330","10.7765","0.0009","13.3012","0.0011","11.2337","0.001","90","","98.472","0.003","90","","1592.7","0.2","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 Mn2 N12 O10 -","- C28 H28 Mn2 N12 O10 -","- C56 H56 Mn4 N24 O20 -","2","0.5","","Zhong, Yun-Jing; Ouyang, Zhi-Jian; Kuang, Xiao-Man; Li, You-Hong; Chen, Wen-Bin; Yang, Meng; Dong, Wen","Solvent effect on the structures of three manganese complexes based on azotetrazole-3-hydroxy-2-naphthoic acid: synthesis, structures, and magnetic and fluorescent properties","CrystEngComm","2023","25","39","5524","5532","10.1039/D3CE00678F","","","0.71073","MoKα","","0.056","0.0368","","","0.1207","0.1359","","","","","","1.026","","","","has coordinates","287341","2023-11-06","07:26:52",""
"7247331","10.6758","0.0013","12.4221","0.0015","19.041","0.002","82.315","0.001","79.293","0.002","72.475","0.001","2357.8","0.5","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C64 H93 Mn6 N24 O32.5 S8 -","- C64 H93 Mn6 N24 O32.5 S8 -","- C64 H93 Mn6 N24 O32.5 S8 -","1","0.5","","Zhong, Yun-Jing; Ouyang, Zhi-Jian; Kuang, Xiao-Man; Li, You-Hong; Chen, Wen-Bin; Yang, Meng; Dong, Wen","Solvent effect on the structures of three manganese complexes based on azotetrazole-3-hydroxy-2-naphthoic acid: synthesis, structures, and magnetic and fluorescent properties","CrystEngComm","2023","25","39","5524","5532","10.1039/D3CE00678F","","","0.71073","MoKα","","0.0944","0.0776","","","0.2045","0.2152","","","","","","1.018","","","","has coordinates,has disorder","287341","2023-11-06","07:26:52",""
"7247341","10.7721","0.0003","13.5889","0.0004","13.8513","0.0005","86.809","0.003","74.723","0.003","72.872","0.003","1868.64","0.11","150","2","149.9","0.5","","","","","","","","8","P -1","-P 1","2","","","","- C44 H35 Fe N Ni O P2 S2 -","- C44 H35 Fe N Ni O P2 S2 -","- C88 H70 Fe2 N2 Ni2 O2 P4 S4 -","2","1","","Srivastava, Devyani; Kushwaha, Aparna; Kociok-Köhn, Gabriele; Gosavi, Suresh W.; Chauhan, Ratna; Ashokkumar, Muthupandian; Kumar, Abhinav; Muddassir, Mohd.","Impact of substituent's position on the DSSC performances of new 1,1′-bis-(diphenylphosphino)ferrocene appended nickel(ii) methoxy cyanodithiolates","CrystEngComm","2023","25","40","5660","5672","10.1039/D3CE00621B","","x-ray","0.71073","MoKα","","0.0544","0.0401","","","0.0878","0.0944","","","","","","1.041","","","","has coordinates","287344","2023-11-06","07:27:49",""
"7247342","14.3705","0.0002","17.2455","0.0002","16.2961","0.0002","90","","101.34","0.0013","90","","3959.77","0.09","150","2","150","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C44 H35 Fe N Ni O P2 S2 -","- C44 H35 Fe N Ni O P2 S2 -","- C176 H140 Fe4 N4 Ni4 O4 P8 S8 -","4","1","","Srivastava, Devyani; Kushwaha, Aparna; Kociok-Köhn, Gabriele; Gosavi, Suresh W.; Chauhan, Ratna; Ashokkumar, Muthupandian; Kumar, Abhinav; Muddassir, Mohd.","Impact of substituent's position on the DSSC performances of new 1,1′-bis-(diphenylphosphino)ferrocene appended nickel(ii) methoxy cyanodithiolates","CrystEngComm","2023","25","40","5660","5672","10.1039/D3CE00621B","","x-ray","1.54184","CuKα","","0.0674","0.0593","","","0.1536","0.1593","","","","","","1.065","","","","has coordinates","287344","2023-11-06","07:27:50",""
"7247343","13.944","0.0004","14.063","0.0004","19.8997","0.0006","90","","104.471","0.003","90","","3778.4","0.2","150","2","149.9","0.5","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C89 H74 Fe2 N2 Ni2 O3 P4 S4 -","- C89 H74 Fe2 N2 Ni2 O3 P4 S4 -","- C178 H148 Fe4 N4 Ni4 O6 P8 S8 -","2","0.5","","Srivastava, Devyani; Kushwaha, Aparna; Kociok-Köhn, Gabriele; Gosavi, Suresh W.; Chauhan, Ratna; Ashokkumar, Muthupandian; Kumar, Abhinav; Muddassir, Mohd.","Impact of substituent's position on the DSSC performances of new 1,1′-bis-(diphenylphosphino)ferrocene appended nickel(ii) methoxy cyanodithiolates","CrystEngComm","2023","25","40","5660","5672","10.1039/D3CE00621B","","x-ray","0.71073","MoKα","","0.0743","0.0495","","","0.095","0.1058","","","","","","1.022","","","","has coordinates,has disorder","287344","2023-11-06","07:27:50",""
"7247344","25.212","0.0009","11.5626","0.0006","11.6676","0.0006","90","","90.114","0.005","90","","3401.3","0.3","294","2","294","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H26 Cu N2 P S4 -","- C38 H26 Cu N2 P S4 -","- C152 H104 Cu4 N8 P4 S16 -","4","0.5","","Costa, António G.; Lopes, Gonçalo; Ribeiro, Susana; Santos, Isabel C.; Simão, Dulce; Pereira, Laura C. J.; Le Breton, Nolwenn; Choua, Sylvie; Baudron, Stéphane A.; Almeida, Manuel; Rabaça, Sandra","Cyano benzene functionalised Ni and Cu bisdithiolene complexes","CrystEngComm","2023","25","37","5362","5371","10.1039/D3CE00782K","","","0.71073","MoKα","","0.1501","0.0615","","","0.1092","0.1287","","","","","","0.946","","","","has coordinates","286728","2023-10-06","00:03:24",""
"7247345","24.9983","0.0007","11.6753","0.0003","11.664","0.0003","90","","90.396","0.001","90","","3404.2","0.16","294","2","294","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H26 N2 Ni P S4 -","- C38 H26 N2 Ni P S4 -","- C152 H104 N8 Ni4 P4 S16 -","4","0.5","","Costa, António G.; Lopes, Gonçalo; Ribeiro, Susana; Santos, Isabel C.; Simão, Dulce; Pereira, Laura C. J.; Le Breton, Nolwenn; Choua, Sylvie; Baudron, Stéphane A.; Almeida, Manuel; Rabaça, Sandra","Cyano benzene functionalised Ni and Cu bisdithiolene complexes","CrystEngComm","2023","25","37","5362","5371","10.1039/D3CE00782K","","","0.71073","MoKα","","0.0623","0.0456","","","0.1107","0.1198","","","","","","1.076","","","","has coordinates","286728","2023-10-06","00:03:24",""
"7247346","9.6337","0.0003","10.8969","0.0003","13.2465","0.0004","80.138","0.001","89.456","0.001","87.27","0.001","1368.48","0.07","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H46 N2 Ni P2 S4 -","- C62 H46 N2 Ni P2 S4 -","- C62 H46 N2 Ni P2 S4 -","1","0.5","","Costa, António G.; Lopes, Gonçalo; Ribeiro, Susana; Santos, Isabel C.; Simão, Dulce; Pereira, Laura C. J.; Le Breton, Nolwenn; Choua, Sylvie; Baudron, Stéphane A.; Almeida, Manuel; Rabaça, Sandra","Cyano benzene functionalised Ni and Cu bisdithiolene complexes","CrystEngComm","2023","25","37","5362","5371","10.1039/D3CE00782K","","","0.71073","MoKα","","0.0482","0.0345","","","0.0834","0.0884","","","","","","1.042","","","","has coordinates","286728","2023-10-06","00:03:24",""
"7247347","7.7936","0.0004","15.7909","0.0009","14.0517","0.0008","90","","95.771","0.002","90","","1720.55","0.16","294","2","294","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H26 Cu N2 P S4 -","- C38 H26 Cu N2 P S4 -","- C76 H52 Cu2 N4 P2 S8 -","2","1","","Costa, António G.; Lopes, Gonçalo; Ribeiro, Susana; Santos, Isabel C.; Simão, Dulce; Pereira, Laura C. J.; Le Breton, Nolwenn; Choua, Sylvie; Baudron, Stéphane A.; Almeida, Manuel; Rabaça, Sandra","Cyano benzene functionalised Ni and Cu bisdithiolene complexes","CrystEngComm","2023","25","37","5362","5371","10.1039/D3CE00782K","","","0.71073","MoKα","","0.1085","0.0484","","","0.0682","0.078","","","","","","0.925","","","","has coordinates","286728","2023-10-06","00:03:24",""
"7247348","13.5065","0.0008","14.3303","0.0009","14.8428","0.001","86.334","0.002","77.455","0.002","70.668","0.002","2646.1","0.3","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H46 N2 Ni P2 S4 -","- C62 H46 N2 Ni P2 S4 -","- C124 H92 N4 Ni2 P4 S8 -","2","1","","Costa, António G.; Lopes, Gonçalo; Ribeiro, Susana; Santos, Isabel C.; Simão, Dulce; Pereira, Laura C. J.; Le Breton, Nolwenn; Choua, Sylvie; Baudron, Stéphane A.; Almeida, Manuel; Rabaça, Sandra","Cyano benzene functionalised Ni and Cu bisdithiolene complexes","CrystEngComm","2023","25","37","5362","5371","10.1039/D3CE00782K","","","0.71073","MoKα","","0.1732","0.0675","","","0.1232","0.1466","","","","","","0.934","","","","has coordinates","286728","2023-10-06","00:03:24",""
"7247349","11.2071","0.0004","12.4949","0.0005","20.7404","0.0008","84.392","0.001","80.941","0.001","76.747","0.001","2785.96","0.18","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H49 N3 Ni P2 S4 -","- C64 H49 N3 Ni P2 S4 -","- C128 H98 N6 Ni2 P4 S8 -","2","1","","Costa, António G.; Lopes, Gonçalo; Ribeiro, Susana; Santos, Isabel C.; Simão, Dulce; Pereira, Laura C. J.; Le Breton, Nolwenn; Choua, Sylvie; Baudron, Stéphane A.; Almeida, Manuel; Rabaça, Sandra","Cyano benzene functionalised Ni and Cu bisdithiolene complexes","CrystEngComm","2023","25","37","5362","5371","10.1039/D3CE00782K","","","0.71073","MoKα","","0.0776","0.0504","","","0.1002","0.1099","","","","","","1.067","","","","has coordinates","286728","2023-10-06","00:03:24",""
"7247350","13.5644","0.0005","14.4462","0.0005","14.8839","0.0005","86.177","0.001","76.389","0.001","70.747","0.001","2675.92","0.16","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H46 Cu N2 P2 S4 -","- C62 H46 Cu N2 P2 S4 -","- C124 H92 Cu2 N4 P4 S8 -","2","1","","Costa, António G.; Lopes, Gonçalo; Ribeiro, Susana; Santos, Isabel C.; Simão, Dulce; Pereira, Laura C. J.; Le Breton, Nolwenn; Choua, Sylvie; Baudron, Stéphane A.; Almeida, Manuel; Rabaça, Sandra","Cyano benzene functionalised Ni and Cu bisdithiolene complexes","CrystEngComm","2023","25","37","5362","5371","10.1039/D3CE00782K","","","0.71073","MoKα","","0.0878","0.0433","","","0.0886","0.0998","","","","","","1.016","","","","has coordinates","286728","2023-10-06","00:03:24",""
"7247351","9.6136","0.0004","10.9075","0.0005","13.3709","0.0006","79.764","0.001","89.324","0.001","87.292","0.001","1378.21","0.11","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H46 Cu N2 P2 S4 -","- C62 H46 Cu N2 P2 S4 -","- C62 H46 Cu N2 P2 S4 -","1","0.5","","Costa, António G.; Lopes, Gonçalo; Ribeiro, Susana; Santos, Isabel C.; Simão, Dulce; Pereira, Laura C. J.; Le Breton, Nolwenn; Choua, Sylvie; Baudron, Stéphane A.; Almeida, Manuel; Rabaça, Sandra","Cyano benzene functionalised Ni and Cu bisdithiolene complexes","CrystEngComm","2023","25","37","5362","5371","10.1039/D3CE00782K","","","0.71073","MoKα","","0.0747","0.0449","","","0.0865","0.0987","","","","","","1.055","","","","has coordinates","286728","2023-10-06","00:03:24",""
"7247360","9.3792","0.0004","9.3792","0.0004","22.4879","0.0009","90","","90","","120","","1713.21","0.12","100","","100","","","","","","","","","5","P 61","P 61","169","","","","- C10 H13 Cd N O5 -","- C10 H13 Cd N O5 -","- C60 H78 Cd6 N6 O30 -","6","1","","Windsor, Hunter J.; Kepert, Cameron J.; Macreadie, Lauren K.","Spontaneous resolution of two chiral metal–organic frameworks through local geometric and lattice frustration effects","CrystEngComm","2023","25","38","5428","5435","10.1039/D3CE00784G","","","0.71073","MoKα","","0.0327","0.0284","","","0.0453","0.0463","","","","","","1.004","","","","has coordinates,has disorder","286747","2023-10-06","00:08:25",""
"7247361","9.3938","0.0003","9.3938","0.0003","22.5064","0.0008","90","","90","","120","","1719.96","0.1","100.02","","100.02","","","","","","","","","5","P 65","P 65","170","","","","- C10 H13 Cd N O5 -","- C10 H13 Cd N O5 -","- C60 H78 Cd6 N6 O30 -","6","1","","Windsor, Hunter J.; Kepert, Cameron J.; Macreadie, Lauren K.","Spontaneous resolution of two chiral metal–organic frameworks through local geometric and lattice frustration effects","CrystEngComm","2023","25","38","5428","5435","10.1039/D3CE00784G","","","0.71073","MoKα","","0.0312","0.0277","","","0.0465","0.0474","","","","","","1.027","","","","has coordinates,has disorder","286747","2023-10-06","00:08:25",""
"7247362","9.5668","0.0003","23.3692","0.0006","17.0992","0.0003","90","","90","","90","","3822.84","0.17","150.01","0.1","150.15","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C39 H39 Cd3 N3 O15 -","- C39 H39 Cd3 N3 O15 -","- C156 H156 Cd12 N12 O60 -","4","1","","Windsor, Hunter J.; Kepert, Cameron J.; Macreadie, Lauren K.","Spontaneous resolution of two chiral metal–organic frameworks through local geometric and lattice frustration effects","CrystEngComm","2023","25","38","5428","5435","10.1039/D3CE00784G","","x-ray","1.54184","CuKα","","0.0724","0.0517","","","0.1182","0.1266","","","","","","0.961","","","","has coordinates","286747","2023-10-06","00:08:25",""
"7247364","25.615","0.003","14.6148","0.0017","24.466","0.002","90","","113.576","0.004","90","","8394.5","1.6","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H77 Dy N O59 P7 W12 -","- C32 H77 Dy N O59 P7 W12 -","- C128 H308 Dy4 N4 O236 P28 W48 -","4","1","","Li, Ying-Yu; Jin, Guan-Yu; Wang, Zhi-Qiang; Hu, Cong; Wang, Xue-Dong; Liu, Jian-Ming; Liu, Min; Han, Hong-Liang; Li, Zhong-Feng; Jin, Qiong-Hua","Facile fabrication and characterization of rare earth complexes based on Keggin-type polyoxometalate with highly efficient activity for photocatalytic degradation of MO","CrystEngComm","2023","25","41","5851","5860","10.1039/D3CE00746D","","","0.71073","MoKα","","0.2048","0.1173","","","0.2661","0.311","","","","","","1.097","","","","has coordinates","287330","2023-11-06","07:19:35",""
"7247365","25.749","0.002","14.669","0.0013","24.645","0.003","90","","113.558","0.005","90","","8532.9","1.5","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H77 Ho N O59 P7 W12 -","- C32 H77 Ho N O59 P7 W12 -","- C128 H308 Ho4 N4 O236 P28 W48 -","4","1","","Li, Ying-Yu; Jin, Guan-Yu; Wang, Zhi-Qiang; Hu, Cong; Wang, Xue-Dong; Liu, Jian-Ming; Liu, Min; Han, Hong-Liang; Li, Zhong-Feng; Jin, Qiong-Hua","Facile fabrication and characterization of rare earth complexes based on Keggin-type polyoxometalate with highly efficient activity for photocatalytic degradation of MO","CrystEngComm","2023","25","41","5851","5860","10.1039/D3CE00746D","","","0.71073","MoKα","","0.155","0.0698","","","0.1308","0.1517","","","","","","1.07","","","","has coordinates","287330","2023-11-06","07:19:41",""
"7247366","25.235","0.003","14.4532","0.0016","24.186","0.003","90","","113.447","0.005","90","","8092.9","1.7","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H77 N O59 P7 Tm W12 -","- C32 H77 N O59 P7 Tm W12 -","- C128 H308 N4 O236 P28 Tm4 W48 -","4","1","","Li, Ying-Yu; Jin, Guan-Yu; Wang, Zhi-Qiang; Hu, Cong; Wang, Xue-Dong; Liu, Jian-Ming; Liu, Min; Han, Hong-Liang; Li, Zhong-Feng; Jin, Qiong-Hua","Facile fabrication and characterization of rare earth complexes based on Keggin-type polyoxometalate with highly efficient activity for photocatalytic degradation of MO","CrystEngComm","2023","25","41","5851","5860","10.1039/D3CE00746D","","","0.71073","MoKα","","0.1695","0.0886","","","0.198","0.2335","","","","","","1.077","","","","has coordinates","287330","2023-11-06","07:19:55",""
"7247367","25.633","0.002","14.6214","0.0011","24.546","0.002","90","","113.451","0.004","90","","8439.7","1.2","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H77 N O59 P7 W12 Yb -","- C32 H77 N O59 P7 W12 Yb -","- C128 H308 N4 O236 P28 W48 Yb4 -","4","1","","Li, Ying-Yu; Jin, Guan-Yu; Wang, Zhi-Qiang; Hu, Cong; Wang, Xue-Dong; Liu, Jian-Ming; Liu, Min; Han, Hong-Liang; Li, Zhong-Feng; Jin, Qiong-Hua","Facile fabrication and characterization of rare earth complexes based on Keggin-type polyoxometalate with highly efficient activity for photocatalytic degradation of MO","CrystEngComm","2023","25","41","5851","5860","10.1039/D3CE00746D","","","0.71073","MoKα","","0.1408","0.0646","","","0.1169","0.1341","","","","","","1.08","","","","has coordinates","287330","2023-11-06","07:20:11",""
"7247368","25.703","0.002","14.6812","0.0013","24.6","0.002","90","","113.535","0.004","90","","8510.7","1.2","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H77 Er N O59 P7 W12 -","- C32 H77 Er N O59 P7 W12 -","- C128 H308 Er4 N4 O236 P28 W48 -","4","1","","Li, Ying-Yu; Jin, Guan-Yu; Wang, Zhi-Qiang; Hu, Cong; Wang, Xue-Dong; Liu, Jian-Ming; Liu, Min; Han, Hong-Liang; Li, Zhong-Feng; Jin, Qiong-Hua","Facile fabrication and characterization of rare earth complexes based on Keggin-type polyoxometalate with highly efficient activity for photocatalytic degradation of MO","CrystEngComm","2023","25","41","5851","5860","10.1039/D3CE00746D","","","0.71073","MoKα","","0.1433","0.0655","","","0.1175","0.1329","","","","","","1.063","","","","has coordinates","287330","2023-11-06","07:20:26",""
"7247369","25.34","0.002","14.4644","0.0013","24.289","0.002","90","","113.49","0.005","90","","8164.8","1.2","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H77 Lu N O59 P7 W12 -","- C32 H77 Lu N O59 P7 W12 -","- C128 H308 Lu4 N4 O236 P28 W48 -","4","1","","Li, Ying-Yu; Jin, Guan-Yu; Wang, Zhi-Qiang; Hu, Cong; Wang, Xue-Dong; Liu, Jian-Ming; Liu, Min; Han, Hong-Liang; Li, Zhong-Feng; Jin, Qiong-Hua","Facile fabrication and characterization of rare earth complexes based on Keggin-type polyoxometalate with highly efficient activity for photocatalytic degradation of MO","CrystEngComm","2023","25","41","5851","5860","10.1039/D3CE00746D","","","0.71073","MoKα","","0.1369","0.0679","","","0.1305","0.1496","","","","","","1.018","","","","has coordinates","287330","2023-11-06","07:20:40",""
"7247370","19.7847","0.0006","10.1109","0.0003","35.7831","0.0012","90","","90.6793","0.0016","90","","7157.6","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H38 N2 O16 U2 -","- C30 H38 N2 O16 U2 -","- C240 H304 N16 O128 U16 -","8","2","","Kusumoto, Sotaro; Atoini, Youssef; Koide, Yoshihiro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Ligand competition on uranyl ion: further examples of zwitterionic vs. anionic carboxylate coordination","CrystEngComm","2023","25","40","5748","5758","10.1039/D3CE00845B","","","0.71073","MoKα","","0.0534","0.0435","","","0.0891","0.0932","","","","","","1.123","","","","has coordinates,has disorder","287346","2023-11-06","07:28:11",""
"7247371","11.6695","0.0004","12.5806","0.0005","14.2442","0.0004","87.165","0.0013","88.3831","0.0012","84.6902","0.0015","2079.07","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H32 N2 O24 U4 -","- C34 H32 N2 O24 U4 -","- C68 H64 N4 O48 U8 -","2","1","","Kusumoto, Sotaro; Atoini, Youssef; Koide, Yoshihiro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Ligand competition on uranyl ion: further examples of zwitterionic vs. anionic carboxylate coordination","CrystEngComm","2023","25","40","5748","5758","10.1039/D3CE00845B","","","0.71073","MoKα","","0.0229","0.0217","","","0.0521","0.0526","","","","","","1.102","","","","has coordinates","287346","2023-11-06","07:28:11",""
"7247372","9.7035","0.0006","9.714","0.0006","10.6933","0.0007","79.359","0.004","75.201","0.003","71.662","0.003","919.03","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H24 N2 O16 U2 -","- C36 H24 N2 O16 U2 -","- C36 H24 N2 O16 U2 -","1","0.5","","Kusumoto, Sotaro; Atoini, Youssef; Koide, Yoshihiro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Ligand competition on uranyl ion: further examples of zwitterionic vs. anionic carboxylate coordination","CrystEngComm","2023","25","40","5748","5758","10.1039/D3CE00845B","","","0.71073","MoKα","","0.0318","0.0298","","","0.0753","0.0769","","","","","","1.069","","","","has coordinates","287346","2023-11-06","07:28:11",""
"7247373","11.3984","0.0003","11.401","0.0004","21.9898","0.0009","88.8056","0.0015","79.8563","0.0013","60.8371","0.001","2449.37","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H90 N8 O54 U5 -","- C72 H86 N8 O54 U5 -","- C72 H86 N8 O54 U5 -","1","0.5","","Kusumoto, Sotaro; Atoini, Youssef; Koide, Yoshihiro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Ligand competition on uranyl ion: further examples of zwitterionic vs. anionic carboxylate coordination","CrystEngComm","2023","25","40","5748","5758","10.1039/D3CE00845B","","","0.71073","MoKα","","0.0287","0.0245","","","0.0497","0.0515","","","","","","1.049","","","","has coordinates,has disorder","287346","2023-11-06","07:28:11",""
"7247374","7.0461","0.0007","7.5519","0.0006","9.8725","0.0009","96.563","0.006","102.071","0.006","108.791","0.005","476.88","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H8 N4 O4 -","- C8 H8 N4 O4 -","- C16 H16 N8 O8 -","2","1","","Romanenko, Galina V.; Fokin, Sergey V.; Tolstikov, Svyatoslav E.; Letyagin, Gleb A.; Ovcharenko, Victor I.; Strizhenko, Kirill V.; Sheremetev, Aleksei B.","A co-crystal of heterobicyclic isomers as a product of the cyclocondensation reaction of 3,4-diaminofurazan with diethyl-2-oxosuccinate","CrystEngComm","2023","25","38","5413","5419","10.1039/D3CE00769C","","","1.54178","CuKα","","0.0407","0.0365","","","0.0976","0.1019","","","","","","1.067","","","","has coordinates","286749","2023-10-06","00:08:40",""
"7247375","23.936","0.002","5.1742","0.0005","7.7436","0.0007","90","","90","","90","","959.04","0.15","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C8 H8 N4 O4 -","- C8 H8 N4 O4 -","- C32 H32 N16 O16 -","4","1","","Romanenko, Galina V.; Fokin, Sergey V.; Tolstikov, Svyatoslav E.; Letyagin, Gleb A.; Ovcharenko, Victor I.; Strizhenko, Kirill V.; Sheremetev, Aleksei B.","A co-crystal of heterobicyclic isomers as a product of the cyclocondensation reaction of 3,4-diaminofurazan with diethyl-2-oxosuccinate","CrystEngComm","2023","25","38","5413","5419","10.1039/D3CE00769C","","","0.71073","MoKα","","0.0892","0.0345","","","0.0591","0.0693","","","","","","0.827","","","","has coordinates","286749","2023-10-06","00:08:41",""
"7247376","4.9852","0.0003","9.8017","0.0006","10.6338","0.0007","67.729","0.004","86.664","0.004","83.011","0.004","477.23","0.05","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H8 N4 O4 -","- C8 H8 N4 O4 -","- C16 H16 N8 O8 -","2","1","","Romanenko, Galina V.; Fokin, Sergey V.; Tolstikov, Svyatoslav E.; Letyagin, Gleb A.; Ovcharenko, Victor I.; Strizhenko, Kirill V.; Sheremetev, Aleksei B.","A co-crystal of heterobicyclic isomers as a product of the cyclocondensation reaction of 3,4-diaminofurazan with diethyl-2-oxosuccinate","CrystEngComm","2023","25","38","5413","5419","10.1039/D3CE00769C","","","1.54178","CuKα","","0.0614","0.0575","","","0.1578","0.1623","","","","","","1.094","","","","has coordinates,has disorder","286749","2023-10-06","00:08:41",""
"7247393","10.1442","0.0005","10.9745","0.0006","17.6401","0.0009","86.956","0.003","83.873","0.003","88.591","0.002","1949.5","0.18","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H42 Cu3 I5 N4 -","- C28 H42 Cu3 I5 N4 -","- C56 H84 Cu6 I10 N8 -","2","1","","Mensah, Abraham; Chen, Wei-Min; Kweku, Ennin Vendish; Liu, Peng-Lai; Shao, Juan-Juan; Wang, Fang-Ming; Chen, Li-Zhuang","Realizing luminescent from cuprous iodide complexes with high quantum yields by introducing planar aromatic groups and modification with halogen atoms on the ligand","CrystEngComm","2023","25","40","5722","5729","10.1039/D3CE00815K","","","0.71073","MoKα","","0.097","0.0817","","","0.2356","0.2512","","","","","","1.085","","","","has coordinates","287349","2023-11-06","07:29:35",""
"7247394","15.6992","0.0012","16.7737","0.0012","12.7912","0.0009","90","","107.856","0.004","90","","3206.1","0.4","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H36 Cu2 F2 I4 N4 -","- C26 H36 Cu2 F2 I4 N4 -","- C104 H144 Cu8 F8 I16 N16 -","4","1","","Mensah, Abraham; Chen, Wei-Min; Kweku, Ennin Vendish; Liu, Peng-Lai; Shao, Juan-Juan; Wang, Fang-Ming; Chen, Li-Zhuang","Realizing luminescent from cuprous iodide complexes with high quantum yields by introducing planar aromatic groups and modification with halogen atoms on the ligand","CrystEngComm","2023","25","40","5722","5729","10.1039/D3CE00815K","","","0.71073","MoKα","","0.1132","0.0413","","","0.049","0.0587","","","","","","0.784","","","","has coordinates","287349","2023-11-06","07:29:35",""
"7247395","16.3175","0.0004","16.9139","0.0005","12.8313","0.0003","90","","107.318","0.002","90","","3380.8","0.16","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H36 Br2 Cu2 I4 N4 -","- C26 H36 Br2 Cu2 I4 N4 -","- C104 H144 Br8 Cu8 I16 N16 -","4","1","","Mensah, Abraham; Chen, Wei-Min; Kweku, Ennin Vendish; Liu, Peng-Lai; Shao, Juan-Juan; Wang, Fang-Ming; Chen, Li-Zhuang","Realizing luminescent from cuprous iodide complexes with high quantum yields by introducing planar aromatic groups and modification with halogen atoms on the ligand","CrystEngComm","2023","25","40","5722","5729","10.1039/D3CE00815K","","","0.71073","MoKα","","0.1205","0.0418","","","0.0627","0.0798","","","","","","0.674","","","","has coordinates","287349","2023-11-06","07:29:35",""
"7247396","7.9774","0.0011","8.6192","0.0013","14.768","0.002","81.554","0.004","85.562","0.004","84.147","0.004","997.2","0.2","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H36 Cu4 I8 N4 -","- C26 H36 Cu4 I8 N4 -","- C26 H36 Cu4 I8 N4 -","1","0.5","","Mensah, Abraham; Chen, Wei-Min; Kweku, Ennin Vendish; Liu, Peng-Lai; Shao, Juan-Juan; Wang, Fang-Ming; Chen, Li-Zhuang","Realizing luminescent from cuprous iodide complexes with high quantum yields by introducing planar aromatic groups and modification with halogen atoms on the ligand","CrystEngComm","2023","25","40","5722","5729","10.1039/D3CE00815K","","","0.71073","MoKα","","0.0584","0.0457","","","0.1185","0.1272","","","","","","1.04","","","","has coordinates","287349","2023-11-06","07:29:35",""
"7247397","16.048","0.0005","16.8794","0.0005","12.8451","0.0004","90","","107.618","0.002","90","","3316.29","0.18","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H36 Cl2 Cu2 I4 N4 -","- C26 H36 Cl2 Cu2 I4 N4 -","- C104 H144 Cl8 Cu8 I16 N16 -","4","1","","Mensah, Abraham; Chen, Wei-Min; Kweku, Ennin Vendish; Liu, Peng-Lai; Shao, Juan-Juan; Wang, Fang-Ming; Chen, Li-Zhuang","Realizing luminescent from cuprous iodide complexes with high quantum yields by introducing planar aromatic groups and modification with halogen atoms on the ligand","CrystEngComm","2023","25","40","5722","5729","10.1039/D3CE00815K","","","0.71073","MoKα","","0.0543","0.0328","","","0.0616","0.0683","","","","","","1.01","","","","has coordinates","287349","2023-11-06","07:29:35",""
"7247398","9.82977","0.00006","22.43648","0.00014","13.79565","0.00009","90","","108.608","0.0007","90","","2883.51","0.03","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H12 O21 Yb5 -","- C24 H12 O21 Yb5 -","- C96 H48 O84 Yb20 -","4","1","","Chamberlain, Thomas W.; Yasmine,; Coulthard, Claire T.; Clarkson, Guy J.; Degirmenci, Volkan; Krisnandi, Yuni K.; Walton, Richard I.","Optimised synthesis and further structural diversity of ytterbium benzene-1,4-dicarboxylate MOFs","CrystEngComm","2023","25","40","5629","5640","10.1039/D3CE00865G","","x-ray","1.54184","CuKα","","0.0293","0.029","","","0.081","0.0813","","","","","","1.1","","","","has coordinates","287348","2023-11-06","07:28:49",""
"7247399","7.7973","0.0003","9.4775","0.0004","10.6851","0.0004","68.823","0.004","70.748","0.003","74.995","0.003","686.3","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H12 O9 Yb -","- C12 H12 O9 Yb -","- C24 H24 O18 Yb2 -","2","1","","Chamberlain, Thomas W.; Yasmine,; Coulthard, Claire T.; Clarkson, Guy J.; Degirmenci, Volkan; Krisnandi, Yuni K.; Walton, Richard I.","Optimised synthesis and further structural diversity of ytterbium benzene-1,4-dicarboxylate MOFs","CrystEngComm","2023","25","40","5629","5640","10.1039/D3CE00865G","","x-ray","0.71073","MoKα","","0.023","0.021","","","0.0471","0.0477","","","","","","1.05","","","","has coordinates,has disorder","287348","2023-11-06","07:29:02",""
"7247400","9.59605","0.0001","26.1011","0.0003","37.7873","0.0004","90","","90","","90","","9464.49","0.18","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C48 H36 O30 Yb4 -","- C48 H36 O30 Yb4 -","- C384 H288 O240 Yb32 -","8","1","","Chamberlain, Thomas W.; Yasmine,; Coulthard, Claire T.; Clarkson, Guy J.; Degirmenci, Volkan; Krisnandi, Yuni K.; Walton, Richard I.","Optimised synthesis and further structural diversity of ytterbium benzene-1,4-dicarboxylate MOFs","CrystEngComm","2023","25","40","5629","5640","10.1039/D3CE00865G","","x-ray","1.54184","CuKα","","0.0444","0.0344","","","0.0836","0.086","","","","","","1.076","","","","has coordinates","287348","2023-11-06","07:29:13",""
"7247401","13.989","0.003","7.878","0.0019","19.624","0.005","90","","101.67","0.007","90","","2118","0.9","273","2","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 N2 O8 S -","- C22 H20 N2 O8 S -","- C88 H80 N8 O32 S4 -","4","1","","Yang, Fengyi; Chen, Jiali; Wang, Junwen; Liu, Jinjian","Five novel supramolecular assemblies constructed from the thiazolothiazole extended viologen moiety","CrystEngComm","2023","25","38","5461","5469","10.1039/D3CE00650F","","","0.71073","MoKα","","0.0968","0.0577","","","0.1309","0.1466","","","","","","1.039","","","","has coordinates","286748","2023-10-06","00:08:34",""
"7247402","8.3923","0.0012","8.5678","0.0012","12.9934","0.0018","79.779","0.003","75.701","0.003","78.675","0.003","879.5","0.2","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H14 N2 O8 S -","- C19 H14 N2 O8 S -","- C38 H28 N4 O16 S2 -","2","1","","Yang, Fengyi; Chen, Jiali; Wang, Junwen; Liu, Jinjian","Five novel supramolecular assemblies constructed from the thiazolothiazole extended viologen moiety","CrystEngComm","2023","25","38","5461","5469","10.1039/D3CE00650F","","","0.71073","MoKα","","0.0452","0.0397","","","0.1053","0.1097","","","","","","1.046","","","","has coordinates","286748","2023-10-06","00:08:34",""
"7247403","8.4052","0.0013","9.4814","0.0014","13.366","0.002","102.279","0.004","106.083","0.004","94.691","0.004","988.8","0.3","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 N3 O8 S -","- C18 H20 N3 O8 S -","- C36 H40 N6 O16 S2 -","2","1","","Yang, Fengyi; Chen, Jiali; Wang, Junwen; Liu, Jinjian","Five novel supramolecular assemblies constructed from the thiazolothiazole extended viologen moiety","CrystEngComm","2023","25","38","5461","5469","10.1039/D3CE00650F","","","0.71073","MoKα","","0.0569","0.0463","","","0.1252","0.1327","","","","","","1.054","","","","has coordinates","286748","2023-10-06","00:08:34",""
"7247404","7.5645","0.0008","11.3096","0.0012","18.1129","0.0019","95.837","0.003","97.142","0.003","99.33","0.003","1505.4","0.3","273.15","","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 N4 O13 S3 -","- C26 H28 N4 O13 S3 -","- C52 H56 N8 O26 S6 -","2","1","","Yang, Fengyi; Chen, Jiali; Wang, Junwen; Liu, Jinjian","Five novel supramolecular assemblies constructed from the thiazolothiazole extended viologen moiety","CrystEngComm","2023","25","38","5461","5469","10.1039/D3CE00650F","","","0.71073","MoKα","","0.1536","0.0857","","","0.1953","0.2262","","","","","","0.986","","","","has coordinates,has disorder","286748","2023-10-06","00:08:34",""
"7247405","5.6484","0.0004","8.1619","0.0006","15.8411","0.0012","81.03","0.002","85.54","0.002","76.678","0.002","701.29","0.09","273.15","","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H13 N2 O5 S -","- C14 H13 N2 O5 S -","- C28 H26 N4 O10 S2 -","2","1","","Yang, Fengyi; Chen, Jiali; Wang, Junwen; Liu, Jinjian","Five novel supramolecular assemblies constructed from the thiazolothiazole extended viologen moiety","CrystEngComm","2023","25","38","5461","5469","10.1039/D3CE00650F","","","0.71073","MoKα","","0.055","0.0414","","","0.1035","0.1105","","","","","","1.049","","","","has coordinates","286748","2023-10-06","00:08:34",""
"7247406","18.2829","0.0009","20.7","0.0009","10.448","0.0005","90","","102.276","0.005","90","","3863.7","0.3","99.9","0.6","99.9","0.6","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C16 H42 Mo8 N40 O22 -","- C16 H42 Mo8 N40 O22 -","- C32 H84 Mo16 N80 O44 -","2","0.25","","Lin, Rong-Yan; Dai, Ru-Dan; Dong, Xin; Zhou, Zhao-Hui","Hexnuclear, octanuclear, dodecanuclear, and hexadecnuclear polyoxomolybdenum(v)-based porous materials for selective adsorption of gases","CrystEngComm","2023","25","42","5942","5950","10.1039/D3CE00736G","","x-ray","1.54184","CuKα","","0.0475","0.0421","","","0.1234","0.127","","","","","","1.059","","","","has coordinates","287338","2023-11-06","07:24:59",""
"7247407","14.99","0.0002","31.7213","0.0004","46.9852","0.0006","90","","90","","90","","22341.6","0.5","100","0.1","100","0.1","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C16 H88 Mo16 N32 Na8 O77 -","- C16 H40 Mo16 N32 Na8 O53 -","- C128 H320 Mo128 N256 Na64 O424 -","8","0.25","","Lin, Rong-Yan; Dai, Ru-Dan; Dong, Xin; Zhou, Zhao-Hui","Hexnuclear, octanuclear, dodecanuclear, and hexadecnuclear polyoxomolybdenum(v)-based porous materials for selective adsorption of gases","CrystEngComm","2023","25","42","5942","5950","10.1039/D3CE00736G","","x-ray","1.54184","CuKα","","0.0461","0.0434","","","0.1331","0.1357","","","","","","1.048","","","","has coordinates","287338","2023-11-06","07:25:02",""
"7247408","11.8391","0.0003","11.9219","0.0002","25.7883","0.0006","98.134","0.002","97.651","0.002","91.857","0.002","3566.31","0.14","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C16 H47 Mo12 N32 Na4 O42 -","- C16 H23 Mo12 N32 Na4 O30 -","- C32 H46 Mo24 N64 Na8 O60 -","2","1","","Lin, Rong-Yan; Dai, Ru-Dan; Dong, Xin; Zhou, Zhao-Hui","Hexnuclear, octanuclear, dodecanuclear, and hexadecnuclear polyoxomolybdenum(v)-based porous materials for selective adsorption of gases","CrystEngComm","2023","25","42","5942","5950","10.1039/D3CE00736G","","x-ray","1.54184","CuKα","","0.0903","0.0764","","","0.1987","0.2098","","","","","","1.037","","","","has coordinates","287338","2023-11-06","07:25:03",""
"7247409","11.1739","0.0002","12.6845","0.0003","27.1349","0.0006","83.745","0.002","81.094","0.002","84.215","0.002","3763.17","0.14","99.98","0.11","99.98","0.11","","","","","","","","5","P -1","-P 1","2","","","","- C36 H31 Mo6 N18 O16 -","- C36 H31 Mo6 N18 O16 -","- C72 H62 Mo12 N36 O32 -","2","1","","Lin, Rong-Yan; Dai, Ru-Dan; Dong, Xin; Zhou, Zhao-Hui","Hexnuclear, octanuclear, dodecanuclear, and hexadecnuclear polyoxomolybdenum(v)-based porous materials for selective adsorption of gases","CrystEngComm","2023","25","42","5942","5950","10.1039/D3CE00736G","","x-ray","1.54184","CuKα","","0.0892","0.0789","","","0.221","0.231","","","","","","1.051","","","","has coordinates","287338","2023-11-06","07:25:05",""
"7247410","18.5643","0.0012","15.172","0.0014","13.1988","0.0009","90","","104.662","0.003","90","","3596.5","0.5","173","","173","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H22 N4 O11 -","- C14 H22 N4 O11 -","- C112 H176 N32 O88 -","8","1","","Yuan, Xin-Yue; Cheng, Yan; Liu, Jun; Sun, Qi-Lei; Xue, Fu-Min","Six novel multicomponent systems of theobromine with carboxylic acids: crystallographic structures, solubility determination and DFT calculations","CrystEngComm","2023","25","40","5682","5696","10.1039/D3CE00762F","","","1.54178","CuKα","","0.0433","0.0424","","","0.1271","0.1282","","","","","","1.049","","","","has coordinates,has disorder","287345","2023-11-06","07:27:59",""
"7247411","7.9228","0.0002","6.33067","0.00019","29.1969","0.0006","90","","95.122","0.002","90","","1458.57","0.06","212.99","0.1","212.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N4 O7 -","- C14 H14 N4 O7 -","- C56 H56 N16 O28 -","4","1","","Yuan, Xin-Yue; Cheng, Yan; Liu, Jun; Sun, Qi-Lei; Xue, Fu-Min","Six novel multicomponent systems of theobromine with carboxylic acids: crystallographic structures, solubility determination and DFT calculations","CrystEngComm","2023","25","40","5682","5696","10.1039/D3CE00762F","","x-ray","1.54184","CuKα","","0.0533","0.042","","","0.1084","0.1155","","","","","","1.043","","","","has coordinates","287345","2023-11-06","07:27:59",""
"7247412","27.746","0.004","6.6694","0.001","17.362","0.003","90","","92.936","0.006","90","","3208.6","0.9","173","","173","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 N4 O9 -","- C14 H18 N4 O9 -","- C112 H144 N32 O72 -","8","1","","Yuan, Xin-Yue; Cheng, Yan; Liu, Jun; Sun, Qi-Lei; Xue, Fu-Min","Six novel multicomponent systems of theobromine with carboxylic acids: crystallographic structures, solubility determination and DFT calculations","CrystEngComm","2023","25","40","5682","5696","10.1039/D3CE00762F","","","1.54178","CuKα","","0.0783","0.0515","","","0.1334","0.1518","","","","","","1.04","","","","has coordinates,has disorder","287345","2023-11-06","07:27:59",""
"7247413","8.8706","0.0005","9.1259","0.0005","11.3422","0.0004","80.367","0.004","69.633","0.004","67.65","0.005","795.46","0.08","213","0.1","213","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C16 H16 N4 O5 -","- C16 H16 N4 O5 -","- C32 H32 N8 O10 -","2","1","","Yuan, Xin-Yue; Cheng, Yan; Liu, Jun; Sun, Qi-Lei; Xue, Fu-Min","Six novel multicomponent systems of theobromine with carboxylic acids: crystallographic structures, solubility determination and DFT calculations","CrystEngComm","2023","25","40","5682","5696","10.1039/D3CE00762F","","x-ray","1.54184","CuKα","","0.0458","0.0403","","","0.1092","0.1154","","","","","","1.04","","","","has coordinates","287345","2023-11-06","07:27:59",""
"7247415","15.9305","0.0005","7.0439","0.0002","15.4405","0.0006","90","","116.292","0.003","90","","1553.38","0.1","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Oxyma_B","Oxyma B","","- C6 H7 N3 O4 -","- C6 H7 N3 O4 -","- C48 H56 N24 O32 -","8","2","","Prohens, Rafel; Barbas, Rafael; de la Torre, Beatriz G.; Albericio, Fernando; Frontera, Antonio","An experimental and computational investigation of the elusive anhydrous form of Oxyma-B","CrystEngComm","2023","25","41","5818","5826","10.1039/D3CE00741C","powder diffraction","","1.54175","CuKα","","","","","","","","","14.3642","56.8","","","","","","","has coordinates","287335","2023-11-06","07:23:53",""
"7247418","27.0713","0.0011","9.526","0.0003","24.0085","0.001","90","","93.82","0.004","90","","6177.6","0.4","120","10","120.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H64 Dy2 N22 O18 W -","- C50 H64 Dy2 N22 O18 W -","- C200 H256 Dy8 N88 O72 W4 -","4","0.5","","Mao, Pan-Dong; Sun, Hui-Ying; Yan, Fei-Fei; Zhang, Shi-Hui; Li, Xin-Feng; Zhou, Ren-He; Zhang, Yi-Quan; Meng, Yin-Shan; Liu, Tao","Dinuclear and trinuclear cyano-bridged {DyIIIMIV} (M = W, Mo) single-ion magnets supported by pentadentate Schiff-base ligands","CrystEngComm","2023","25","43","6030","6038","10.1039/D3CE00720K","","","0.71073","MoKα","","0.0694","0.0406","","","0.078","0.0819","","","","","","1.059","","","","has coordinates,has disorder","288779","2024-01-06","07:55:05",""
"7247419","26.9939","0.0009","9.5351","0.0003","24.0996","0.0007","90","","93.714","0.003","90","","6190","0.3","120","0.1","120.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H64 Dy2 Mo N22 O18 -","- C50 H64 Dy2 Mo N22 O18 -","- C200 H256 Dy8 Mo4 N88 O72 -","4","0.5","","Mao, Pan-Dong; Sun, Hui-Ying; Yan, Fei-Fei; Zhang, Shi-Hui; Li, Xin-Feng; Zhou, Ren-He; Zhang, Yi-Quan; Meng, Yin-Shan; Liu, Tao","Dinuclear and trinuclear cyano-bridged {DyIIIMIV} (M = W, Mo) single-ion magnets supported by pentadentate Schiff-base ligands","CrystEngComm","2023","25","43","6030","6038","10.1039/D3CE00720K","","","0.71073","MoKα","","0.0705","0.0426","","","0.0964","0.1","","","","","","0.866","","","","has coordinates,has disorder","288779","2024-01-06","07:55:05",""
"7247420","10.5532","0.0009","11.6027","0.001","18.7684","0.0016","92.524","0.002","95.871","0.002","108.109","0.002","2165.8","0.3","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C31 H39 Dy Mo N15 O16.5 -","- C31 H39 Dy Mo N15 O16.5 -","- C62 H78 Dy2 Mo2 N30 O33 -","2","1","","Mao, Pan-Dong; Sun, Hui-Ying; Yan, Fei-Fei; Zhang, Shi-Hui; Li, Xin-Feng; Zhou, Ren-He; Zhang, Yi-Quan; Meng, Yin-Shan; Liu, Tao","Dinuclear and trinuclear cyano-bridged {DyIIIMIV} (M = W, Mo) single-ion magnets supported by pentadentate Schiff-base ligands","CrystEngComm","2023","25","43","6030","6038","10.1039/D3CE00720K","","","0.71073","MoKα","","0.0461","0.0365","","","0.0818","0.087","","","","","","1.046","","","","has coordinates,has disorder","288779","2024-01-06","07:55:05",""
"7247421","10.4246","0.0011","11.7295","0.0011","18.732","0.0019","93.031","0.003","95.698","0.003","108.135","0.003","2157.4","0.4","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H48 Dy N15 O16.5 W -","- C29 H48 Dy N15 O16.5 W -","- C58 H96 Dy2 N30 O33 W2 -","2","1","","Mao, Pan-Dong; Sun, Hui-Ying; Yan, Fei-Fei; Zhang, Shi-Hui; Li, Xin-Feng; Zhou, Ren-He; Zhang, Yi-Quan; Meng, Yin-Shan; Liu, Tao","Dinuclear and trinuclear cyano-bridged {DyIIIMIV} (M = W, Mo) single-ion magnets supported by pentadentate Schiff-base ligands","CrystEngComm","2023","25","43","6030","6038","10.1039/D3CE00720K","","","0.71073","MoKα","","0.0488","0.0378","","","0.08","0.0847","","","","","","1.081","","","","has coordinates,has disorder","288779","2024-01-06","07:55:05",""
"7247422","11.7573","0.0006","11.5545","0.0007","15.8209","0.001","90","","106.604","0.002","90","","2059.6","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 Cd N3 O7 S -","- C18 H21 Cd N3 O7 S -","- C72 H84 Cd4 N12 O28 S4 -","4","1","","Wang, Xueyuan; Carrillo-Aravena, Eduardo; Wu, Yuandong; Mei, Dajiang; Wen, Shaoguo; Doert, Thomas","Investigation of four Cd(ii) sulfonate complexes: crystal structure, Hirshfeld surface analysis, thermogravimetric and spectroscopic properties","CrystEngComm","2023","25","40","5673","5681","10.1039/D3CE00792H","","","0.71073","MoKα","","0.0458","0.0325","","","0.0672","0.0737","","","","","","1.081","","","","has coordinates","287347","2023-11-06","07:28:21",""
"7247423","11.5878","0.0012","17.7103","0.0012","13.2737","0.0013","90","","114.676","0.012","90","","2475.3","0.5","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H23 Cd N5 O7 S -","- C23 H23 Cd N5 O7 S -","- C92 H92 Cd4 N20 O28 S4 -","4","1","","Wang, Xueyuan; Carrillo-Aravena, Eduardo; Wu, Yuandong; Mei, Dajiang; Wen, Shaoguo; Doert, Thomas","Investigation of four Cd(ii) sulfonate complexes: crystal structure, Hirshfeld surface analysis, thermogravimetric and spectroscopic properties","CrystEngComm","2023","25","40","5673","5681","10.1039/D3CE00792H","","x-ray","0.71073","MoKα","","0.0726","0.0587","","","0.1461","0.1531","","","","","","1.05","","","","has coordinates","287347","2023-11-06","07:28:23",""
"7247424","5.73025","0.00007","8.1274","0.00011","12.86566","0.00018","74.1108","0.0012","89.5736","0.0011","84.1958","0.0011","573.204","0.014","99.99","0.1","99.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C16 H22 Cd N4 O6 S4 -","- C16 H22 Cd N4 O6 S4 -","- C16 H22 Cd N4 O6 S4 -","1","0.5","","Wang, Xueyuan; Carrillo-Aravena, Eduardo; Wu, Yuandong; Mei, Dajiang; Wen, Shaoguo; Doert, Thomas","Investigation of four Cd(ii) sulfonate complexes: crystal structure, Hirshfeld surface analysis, thermogravimetric and spectroscopic properties","CrystEngComm","2023","25","40","5673","5681","10.1039/D3CE00792H","","x-ray","0.71073","MoKα","","0.0346","0.0311","","","0.0772","0.079","","","","","","1.104","","","","has coordinates","287347","2023-11-06","07:28:33",""
"7247425","7.364","0.0001","23.3599","0.0003","19.2032","0.0003","90","","93.423","0.001","90","","3297.49","0.08","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H68 Cd2 N14 O20 S2 -","- C62 H68 Cd2 N14 O20 S2 -","- C124 H136 Cd4 N28 O40 S4 -","2","0.5","","Wang, Xueyuan; Carrillo-Aravena, Eduardo; Wu, Yuandong; Mei, Dajiang; Wen, Shaoguo; Doert, Thomas","Investigation of four Cd(ii) sulfonate complexes: crystal structure, Hirshfeld surface analysis, thermogravimetric and spectroscopic properties","CrystEngComm","2023","25","40","5673","5681","10.1039/D3CE00792H","","x-ray","0.71073","MoKα","","0.0428","0.0385","","","0.1035","0.1066","","","","","","1.077","","","","has coordinates","287347","2023-11-06","07:28:36",""
"7247426","11.053","0.012","11.22","0.012","13.17","0.014","80.21","0.03","80.56","0.03","75.51","0.03","1546","3","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H88 Dy2 Fe4 N10 O32 -","- C34 H88 Dy2 Fe4 N10 O32 -","- C34 H88 Dy2 Fe4 N10 O32 -","1","0.5","","Liu, Shujing; Zou, Chen; Wang, Hanjie; Chen, Sihuai; Yuan, Jun; Jia, Lihui","Synthesis, structures, and magnetic properties of butterfly-shaped hexanuclear [FeIII4LnIII2] single-molecule magnets","CrystEngComm","2023","25","42","5893","5899","10.1039/D3CE00824J","","","0.71073","MoKα","","0.0521","0.0354","","","0.0569","0.0632","","","","","","1.066","","","","has coordinates","287337","2023-11-06","07:24:33",""
"7247427","10.8225","0.0003","11.1813","0.0003","12.9331","0.0004","79.542","0.003","79.911","0.002","75.815","0.002","1478.02","0.08","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H88 Fe4 N10 O32 Y2 -","- C34 H88 Fe4 N10 O32 Y2 -","- C34 H88 Fe4 N10 O32 Y2 -","1","0.5","","Liu, Shujing; Zou, Chen; Wang, Hanjie; Chen, Sihuai; Yuan, Jun; Jia, Lihui","Synthesis, structures, and magnetic properties of butterfly-shaped hexanuclear [FeIII4LnIII2] single-molecule magnets","CrystEngComm","2023","25","42","5893","5899","10.1039/D3CE00824J","","x-ray","1.54178","CuKα","","0.0792","0.0783","","","0.2215","0.2218","","","","","","1.179","","","","has coordinates","287337","2023-11-06","07:24:44",""
"7247429","15.7355","0.0006","8.0029","0.0003","31.7701","0.0013","90","","90","","90","","4000.8","0.3","293","2","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(3-(pyren-1-yl)phenyl)benzo[d]thiazole","","- C29 H17 N S -","- C29 H17 N S -","- C232 H136 N8 S8 -","8","1","","Xia, Zhou-An; Zhang, Xiangyu; Xi, Chang; Bai, Qing; Liu, Haichao; Zhang, Shi-Tong; Yang, Bing","Constructing a pyrene-based dimer in a crystal by adjusting the steric hindrance over the pyrene plane","CrystEngComm","2023","25","41","5802","5809","10.1039/D3CE00744H","","","0.71073","MoKα","","0.1263","0.0904","","","0.2221","0.2562","","","","","","0.891","","","","has coordinates","287331","2023-11-06","07:21:14",""
"7247430","13.152","0.0005","14.0836","0.0005","12.0152","0.0005","90","","115.009","0.001","90","","2016.88","0.14","293","2","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(2-(pyren-1-yl)phenyl)benzo[d]thiazole","","- C29 H17 N S -","- C29 H17 N S -","- C116 H68 N4 S4 -","4","1","","Xia, Zhou-An; Zhang, Xiangyu; Xi, Chang; Bai, Qing; Liu, Haichao; Zhang, Shi-Tong; Yang, Bing","Constructing a pyrene-based dimer in a crystal by adjusting the steric hindrance over the pyrene plane","CrystEngComm","2023","25","41","5802","5809","10.1039/D3CE00744H","","","0.71073","MoKα","","0.0596","0.0427","","","0.1018","0.1161","","","","","","1.063","","","","has coordinates","287331","2023-11-06","07:21:20",""
"7247431","7.731","0.0006","8.1036","0.0005","32.103","0.002","90","","90","","90","","2011.2","0.2","294","2","294","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-(4-(pyren-1-yl)phenyl)benzo[d]thiazole","","- C29 H17 N S -","- C29 H17 N S -","- C116 H68 N4 S4 -","4","1","","Xia, Zhou-An; Zhang, Xiangyu; Xi, Chang; Bai, Qing; Liu, Haichao; Zhang, Shi-Tong; Yang, Bing","Constructing a pyrene-based dimer in a crystal by adjusting the steric hindrance over the pyrene plane","CrystEngComm","2023","25","41","5802","5809","10.1039/D3CE00744H","","","0.71073","MoKα","","0.0911","0.0421","","","0.084","0.1063","","","","","","1.085","","","","has coordinates","287331","2023-11-06","07:21:25",""
"7247442","7.0782","0.0007","12.8899","0.0012","17.2503","0.0015","90","","90","","90","","1573.9","0.3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H12 Cl2 N2 O -","- C18 H12 Cl2 N2 O -","- C72 H48 Cl8 N8 O4 -","4","1","","Dubey, Ritesh; Singh, Sandeep","Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures","CrystEngComm","2023","25","40","5697","5705","10.1039/D3CE00672G","","","0.71073","MoKα","","0.0359","0.0339","","","0.0878","0.0896","","","","","","1.079","","","","has coordinates","287350","2023-11-06","07:29:57",""
"7247443","11.404","0.008","12.721","0.008","15.241","0.011","90","","109.811","0.008","90","","2080","2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Cl4 N2 O2 -","- C22 H16 Cl4 N2 O2 -","- C88 H64 Cl16 N8 O8 -","4","1","","Dubey, Ritesh; Singh, Sandeep","Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures","CrystEngComm","2023","25","40","5697","5705","10.1039/D3CE00672G","","","0.71073","MoKα","","0.0433","0.0397","","","0.1051","0.1084","","","","","","1.085","","","","has coordinates","287350","2023-11-06","07:29:58",""
"7247444","22.923","0.003","11.7148","0.0014","11.64","0.0018","90","","92.091","0.006","90","","3123.7","0.7","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 Cl2 N2 O -","- C18 H12 Cl2 N2 O -","- C144 H96 Cl16 N16 O8 -","8","2","","Dubey, Ritesh; Singh, Sandeep","Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures","CrystEngComm","2023","25","40","5697","5705","10.1039/D3CE00672G","","","0.71073","MoKα","","0.0609","0.0508","","","0.1253","0.1327","","","","","","1.12","","","","has coordinates","287350","2023-11-06","07:29:58",""
"7247445","18.809","0.003","3.8575","0.0006","29.184","0.005","90","","98.486","0.007","90","","2094.3","0.6","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 Cl4 N2 O2 -","- C22 H16 Cl4 N2 O2 -","- C88 H64 Cl16 N8 O8 -","4","0.5","","Dubey, Ritesh; Singh, Sandeep","Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures","CrystEngComm","2023","25","40","5697","5705","10.1039/D3CE00672G","","","0.71073","MoKα","","0.0477","0.0362","","","0.079","0.0829","","","","","","1.043","","","","has coordinates","287350","2023-11-06","07:29:58",""
"7247446","10.5285","0.0011","7.097","0.0007","19.468","0.002","90","","99.747","0.007","90","","1433.7","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 Cl2 N2 O -","- C16 H12 Cl2 N2 O -","- C64 H48 Cl8 N8 O4 -","4","1","","Dubey, Ritesh; Singh, Sandeep","Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures","CrystEngComm","2023","25","40","5697","5705","10.1039/D3CE00672G","","","0.71073","MoKα","","0.0646","0.0451","","","0.0904","0.097","","","","","","1.073","","","","has coordinates","287350","2023-11-06","07:29:58",""
"7247447","10.3339","0.0014","7.2993","0.001","14.544","0.0019","90","","104.972","0.007","90","","1059.8","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 Cl4 N2 O2 -","- C22 H16 Cl4 N2 O2 -","- C44 H32 Cl8 N4 O4 -","2","0.5","","Dubey, Ritesh; Singh, Sandeep","Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures","CrystEngComm","2023","25","40","5697","5705","10.1039/D3CE00672G","","","0.71073","MoKα","","0.0407","0.0343","","","0.084","0.0875","","","","","","1.05","","","","has coordinates","287350","2023-11-06","07:29:58",""
"7247448","5.789","0.007","14.243","0.019","12.602","0.016","90","","98.64","0.03","90","","1027","2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Cl4 N2 O2 -","- C22 H16 Cl4 N2 O2 -","- C44 H32 Cl8 N4 O4 -","2","0.5","","Dubey, Ritesh; Singh, Sandeep","Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures","CrystEngComm","2023","25","40","5697","5705","10.1039/D3CE00672G","","","0.71073","MoKα","","0.035","0.032","","","0.0829","0.0849","","","","","","1.03","","","","has coordinates","287350","2023-11-06","07:29:58",""
"7247449","10.5269","0.0011","12.0193","0.0012","13.2546","0.0014","90","","113.08","0.005","90","","1542.8","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H12 Cl2 N2 O -","- C18 H12 Cl2 N2 O -","- C72 H48 Cl8 N8 O4 -","4","1","","Dubey, Ritesh; Singh, Sandeep","Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures","CrystEngComm","2023","25","40","5697","5705","10.1039/D3CE00672G","","","0.71073","MoKα","","0.0454","0.0355","","","0.0803","0.0842","","","","","","1.053","","","","has coordinates","287350","2023-11-06","07:29:58",""
"7247450","7.4028","0.0009","7.9597","0.001","9.349","0.0012","100.674","0.007","94.021","0.007","100.27","0.007","529.64","0.12","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H16 Cl4 N2 O2 -","- C22 H16 Cl4 N2 O2 -","- C22 H16 Cl4 N2 O2 -","1","0.5","","Dubey, Ritesh; Singh, Sandeep","Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures","CrystEngComm","2023","25","40","5697","5705","10.1039/D3CE00672G","","","0.71073","MoKα","","0.0577","0.0426","","","0.0979","0.1052","","","","","","1.054","","","","has coordinates","287350","2023-11-06","07:29:58",""
"7247451","3.8427","0.0006","17.047","0.003","11.6457","0.0018","90","","97.752","0.007","90","","755.9","0.2","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H12 Cl2 N2 O -","- C18 H12 Cl2 N2 O -","- C36 H24 Cl4 N4 O2 -","2","1","","Dubey, Ritesh; Singh, Sandeep","Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures","CrystEngComm","2023","25","40","5697","5705","10.1039/D3CE00672G","","","0.71073","MoKα","","0.0535","0.0418","","","0.0736","0.0769","","","","","","1.03","","","","has coordinates","287350","2023-11-06","07:29:58",""
"7247452","7.9894","0.0016","9.4955","0.0019","15.762","0.003","85.572","0.006","79.226","0.006","71.653","0.005","1114.8","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 Cl4 N2 O2 -","- C24 H16 Cl4 N2 O2 -","- C48 H32 Cl8 N4 O4 -","2","1","","Dubey, Ritesh; Singh, Sandeep","Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures","CrystEngComm","2023","25","40","5697","5705","10.1039/D3CE00672G","","","0.71073","MoKα","","0.1219","0.0616","","","0.1145","0.1343","","","","","","1.019","","","","has coordinates","287350","2023-11-06","07:29:58",""
"7247453","8.0784","0.0006","8.0784","0.0006","32.831","0.005","90","","90","","90","","2142.6","0.4","150","2","150","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C22 H16 Cl4 N2 O2 -","- C22 H16 Cl4 N2 O2 -","- C88 H64 Cl16 N8 O8 -","4","0.5","","Dubey, Ritesh; Singh, Sandeep","Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures","CrystEngComm","2023","25","40","5697","5705","10.1039/D3CE00672G","","","0.71073","MoKα","","0.0308","0.0302","","","0.0768","0.0772","","","","","","1.095","","","","has coordinates","287350","2023-11-06","07:29:58",""
"7247454","8.127","0.0015","8.5365","0.0015","11.656","0.002","75.042","0.005","86.122","0.006","78.916","0.006","766.5","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H12 Cl2 N2 O -","- C18 H12 Cl2 N2 O -","- C36 H24 Cl4 N4 O2 -","2","1","","Dubey, Ritesh; Singh, Sandeep","Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures","CrystEngComm","2023","25","40","5697","5705","10.1039/D3CE00672G","","","0.71073","MoKα","","0.0452","0.0367","","","0.0887","0.0928","","","","","","1.03","","","","has coordinates","287350","2023-11-06","07:29:58",""
"7247455","20.8278","0.0003","14.7244","0.0003","7.739","0.0002","90","","93.831","0.002","90","","2368.07","0.09","299.6","0.7","299.6","0.7","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H24 Mn N4 O5 -","- C25 H24 Mn N4 O5 -","- C100 H96 Mn4 N16 O20 -","4","0.5","","Smernik, Josephine F.; Gimeno-Fonquernie, Pol; Albalad, Jorge; Jones, Tyla S.; Young, Rosemary J.; Champness, Neil R.; Doonan, Christian J.; Evans, Jack D.; Sumby, Christopher J.","Understanding the structural landscape of Mn-based MOFs formed with hinged pyrazole carboxylate linkers","CrystEngComm","2023","25","47","6539","6548","10.1039/D3CE00881A","","x-ray","0.71073","MoKα","","0.0528","0.0341","","","0.0815","0.0875","","","","","","1.042","","","","has coordinates","288791","2024-01-06","07:57:26",""
"7247456","20.3665","0.001","4.5514","0.0002","21.1136","0.0009","90","","101.761","0.005","90","","1916.06","0.15","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C10.5 H9 Mn0.5 N2 O3 -","- C10.5 H9 Mn0.5 N2 O3 -","- C84 H72 Mn4 N16 O24 -","8","1","","Smernik, Josephine F.; Gimeno-Fonquernie, Pol; Albalad, Jorge; Jones, Tyla S.; Young, Rosemary J.; Champness, Neil R.; Doonan, Christian J.; Evans, Jack D.; Sumby, Christopher J.","Understanding the structural landscape of Mn-based MOFs formed with hinged pyrazole carboxylate linkers","CrystEngComm","2023","25","47","6539","6548","10.1039/D3CE00881A","","x-ray","1.54184","CuKα","","0.0799","0.0516","","","0.1153","0.1294","","","","","","1.046","","","","has coordinates","288791","2024-01-06","07:57:26",""
"7247457","22.1459","0.0003","12.0673","0.0002","12.5517","0.0002","90","","90","","90","","3354.33","0.09","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C24 H29 Mn2 N10 O13 -","- C24 H28 Mn2 N10 O13 -","- C96 H112 Mn8 N40 O52 -","4","0.5","","Smernik, Josephine F.; Gimeno-Fonquernie, Pol; Albalad, Jorge; Jones, Tyla S.; Young, Rosemary J.; Champness, Neil R.; Doonan, Christian J.; Evans, Jack D.; Sumby, Christopher J.","Understanding the structural landscape of Mn-based MOFs formed with hinged pyrazole carboxylate linkers","CrystEngComm","2023","25","47","6539","6548","10.1039/D3CE00881A","","x-ray","1.54184","CuKα","","0.0892","0.0876","","","0.2234","0.2242","","","","","","1.191","","","","has coordinates,has disorder","288791","2024-01-06","07:57:26",""
"7247458","11.4647","0.0004","15.947","0.0006","13.4871","0.0003","90","","90","","90","","2465.81","0.14","150","2","150","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C9 H11 Mn N4 O6.5 -","- C9 H11 Mn N4 O6.5 -","- C72 H88 Mn8 N32 O52 -","8","1","","Smernik, Josephine F.; Gimeno-Fonquernie, Pol; Albalad, Jorge; Jones, Tyla S.; Young, Rosemary J.; Champness, Neil R.; Doonan, Christian J.; Evans, Jack D.; Sumby, Christopher J.","Understanding the structural landscape of Mn-based MOFs formed with hinged pyrazole carboxylate linkers","CrystEngComm","2023","25","47","6539","6548","10.1039/D3CE00881A","","x-ray","0.71073","MoKα","","0.0639","0.0396","","","0.0759","0.086","","","","","","1.032","","","","has coordinates","288791","2024-01-06","07:57:26",""
"7247459","14.414","0.003","10.48","0.002","7.74","0.0015","90","","105.64","0.03","90","","1125.9","0.4","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C9 H10 Mn N4 O6 -","- C9 H10 Mn N4 O6 -","- C36 H40 Mn4 N16 O24 -","4","1","","Smernik, Josephine F.; Gimeno-Fonquernie, Pol; Albalad, Jorge; Jones, Tyla S.; Young, Rosemary J.; Champness, Neil R.; Doonan, Christian J.; Evans, Jack D.; Sumby, Christopher J.","Understanding the structural landscape of Mn-based MOFs formed with hinged pyrazole carboxylate linkers","CrystEngComm","2023","25","47","6539","6548","10.1039/D3CE00881A","","","0.71073","Synchrotron","","0.0722","0.0645","","","0.1695","0.1761","","","","","","1.093","","","","has coordinates,has disorder","288791","2024-01-06","07:57:26",""
"7247460","12.318","0.003","12.9645","0.0013","9.0482","0.0012","90","","107.377","0.015","90","","1379","0.4","293","2","293","2","","","","","","","","5","C 1 m 1","C -2y","8","","","","- C21 H23 Mn2 N9 O11 -","- C21 H23 Mn2 N9 O11 -","- C42 H46 Mn4 N18 O22 -","2","0.5","","Smernik, Josephine F.; Gimeno-Fonquernie, Pol; Albalad, Jorge; Jones, Tyla S.; Young, Rosemary J.; Champness, Neil R.; Doonan, Christian J.; Evans, Jack D.; Sumby, Christopher J.","Understanding the structural landscape of Mn-based MOFs formed with hinged pyrazole carboxylate linkers","CrystEngComm","2023","25","47","6539","6548","10.1039/D3CE00881A","","x-ray","0.71073","MoKα","","0.0672","0.0618","","","0.1626","0.1673","","","","","","1.084","","","","has coordinates,has disorder","288791","2024-01-06","07:57:26",""
"7247461","23.2881","0.0007","10.4868","0.0002","24.8587","0.0008","90","","114.461","0.004","90","","5526","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23.5 H18.83 Mn N4.83 O4.83 -","- C23.4999 H18.8331 Mn N4.8333 O4.8333 -","- C187.999 H150.665 Mn8 N38.6664 O38.6664 -","8","1","","Smernik, Josephine F.; Gimeno-Fonquernie, Pol; Albalad, Jorge; Jones, Tyla S.; Young, Rosemary J.; Champness, Neil R.; Doonan, Christian J.; Evans, Jack D.; Sumby, Christopher J.","Understanding the structural landscape of Mn-based MOFs formed with hinged pyrazole carboxylate linkers","CrystEngComm","2023","25","47","6539","6548","10.1039/D3CE00881A","","x-ray","1.54184","CuKα","","0.0939","0.0825","","","0.2457","0.2577","","","","","","1.04","","","","has coordinates","288791","2024-01-06","07:57:26",""
"7247462","9.1364","0.0001","16.5273","0.0003","21.5295","0.0003","90","","101.798","0.001","90","","3182.28","0.08","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H36 Mn2 N8 O12 -","- C26 H36 Mn2 N8 O12 -","- C104 H144 Mn8 N32 O48 -","4","1","","Smernik, Josephine F.; Gimeno-Fonquernie, Pol; Albalad, Jorge; Jones, Tyla S.; Young, Rosemary J.; Champness, Neil R.; Doonan, Christian J.; Evans, Jack D.; Sumby, Christopher J.","Understanding the structural landscape of Mn-based MOFs formed with hinged pyrazole carboxylate linkers","CrystEngComm","2023","25","47","6539","6548","10.1039/D3CE00881A","","","0.71073","MoKα","","0.0526","0.0365","","","0.0791","0.086","","","","","","1.038","","","","has coordinates","288791","2024-01-06","07:57:26",""
"7247463","9.115","0.0004","9.115","0.0004","10.2056","0.0006","90","","90","","90","","847.91","0.07","293","2","293","2","","","","","","","","5","I -4 2 m","I -4 2","121","","sodium cobalt (II, III) posphate cloride","","- Cl4 Co7.38 Na O16 P4 -","- Cl4 Co7.38 Na O16 P4 -","- Cl8 Co14.76 Na2 O32 P8 -","2","0.125","","Yakubovich, Olga; Kiriukhina, Galina; Simonov, Sergei; Volkov, Anatoliy; Dimitrova, Olga","NaCo7.38(PO4)4Cl4 in a series of homeotype compounds with stable cationic substructures derived from the sulphohalite archetype","CrystEngComm","2023","25","43","6006","6016","10.1039/D3CE00819C","","","0.71073","MoKα","","0.0172","0.0164","","","0.0358","0.036","","","","","","1.302","","","","has coordinates","288778","2024-01-06","07:54:54",""
"7247464","26.806","0.004","7.7681","0.001","20.357","0.003","90","","112.251","0.003","90","","3923.3","1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 N7 O11 -","- C16 H11 N7 O11 -","- C128 H88 N56 O88 -","8","2","","Zhang, Rongzheng; Xu, Yuangang; Yang, Feng; Wang, Pengcheng; Lin, Qiuhan; Huang, Hui; Lu, Ming","Synthesis, characterization and properties of new heat resistant energetic materials based on two C–C bridged pyrazole and benzene skeletons","CrystEngComm","2023","25","41","5827","5833","10.1039/D3CE00530E","","","0.71073","MoKα","","0.1105","0.0702","","","0.1647","0.187","","","","","","1.054","","","","has coordinates","287336","2023-11-06","07:24:10",""
"7247465","6.2299","0.0006","7.4168","0.0007","12.7696","0.0012","103.819","0.003","90.179","0.003","95.701","0.003","569.9","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H12 N10 O14 -","- C14 H12 N10 O14 -","- C14 H12 N10 O14 -","1","0.5","","Zhang, Rongzheng; Xu, Yuangang; Yang, Feng; Wang, Pengcheng; Lin, Qiuhan; Huang, Hui; Lu, Ming","Synthesis, characterization and properties of new heat resistant energetic materials based on two C–C bridged pyrazole and benzene skeletons","CrystEngComm","2023","25","41","5827","5833","10.1039/D3CE00530E","","","0.71073","MoKα","","0.0898","0.0503","","","0.1166","0.1346","","","","","","1.016","","","","has coordinates","287336","2023-11-06","07:24:15",""
"7247467","15.3694","0.0003","5.216","0.0001","22.3953","0.0005","90","","97.797","0.002","90","","1778.76","0.06","200","0.1","200","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-benzoylpropionic acid","","- C10 H10 O3 -","- C10 H10 O3 -","- C80 H80 O24 -","8","2","","Poręba, Tomasz; Świątkowski, Marcin; Confalonieri, Giorgia","Melting pseudosymmetry and thermal expansion in 3-benzoylpropionic acid","CrystEngComm","2023","25","42","5932","5941","10.1039/D3CE00940H","","x-ray","1.54184","CuKα","","0.0496","0.0426","","","0.1139","0.1191","","","","","","1.022","","","","has coordinates","287339","2023-11-06","07:25:22",""
"7247468","12.7762","0.0004","5.23515","0.00015","14.4736","0.0005","90","","111.409","0.004","90","","901.27","0.06","260.01","0.1","260.01","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","3-benzoylpropionic acid","3-benzoylpropionic acid","","- C10 H10 O3 -","- C10 H10 O3 -","- C40 H40 O12 -","4","1","","Poręba, Tomasz; Świątkowski, Marcin; Confalonieri, Giorgia","Melting pseudosymmetry and thermal expansion in 3-benzoylpropionic acid","CrystEngComm","2023","25","42","5932","5941","10.1039/D3CE00940H","","x-ray","1.54184","CuKα","","0.049","0.0418","","","0.1185","0.1241","","","","","","1.059","","","","has coordinates","287339","2023-11-06","07:25:22",""
"7247469","12.8223","0.0005","5.245","0.0002","14.5064","0.0005","90","","111.569","0.004","90","","907.28","0.06","290","0.1","290","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","3-benzoylpropionic acid","3-benzoylpropionic acid","","- C10 H10 O3 -","- C10 H10 O3 -","- C40 H40 O12 -","4","1","","Poręba, Tomasz; Świątkowski, Marcin; Confalonieri, Giorgia","Melting pseudosymmetry and thermal expansion in 3-benzoylpropionic acid","CrystEngComm","2023","25","42","5932","5941","10.1039/D3CE00940H","","x-ray","1.54184","CuKα","","0.0519","0.0433","","","0.1203","0.1268","","","","","","1.08","","","","has coordinates","287339","2023-11-06","07:25:22",""
"7247470","12.8072","0.0004","5.24245","0.00015","14.4951","0.0004","90","","111.513","0.004","90","","905.42","0.05","279.99","0.1","279.99","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","3-benzoylpropionic acid","3-benzoylpropionic acid","","- C10 H10 O3 -","- C10 H10 O3 -","- C40 H40 O12 -","4","1","","Poręba, Tomasz; Świątkowski, Marcin; Confalonieri, Giorgia","Melting pseudosymmetry and thermal expansion in 3-benzoylpropionic acid","CrystEngComm","2023","25","42","5932","5941","10.1039/D3CE00940H","","x-ray","1.54184","CuKα","","0.0516","0.0436","","","0.1207","0.1273","","","","","","1.061","","","","has coordinates","287339","2023-11-06","07:25:22",""
"7247471","12.747","0.0004","5.22886","0.00014","14.4507","0.0004","90","","111.302","0.003","90","","897.37","0.05","239.99","0.1","239.99","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","3-benzoylpropionic acid","3-benzoylpropionic acid","","- C10 H10 O3 -","- C10 H10 O3 -","- C40 H40 O12 -","4","1","","Poręba, Tomasz; Świątkowski, Marcin; Confalonieri, Giorgia","Melting pseudosymmetry and thermal expansion in 3-benzoylpropionic acid","CrystEngComm","2023","25","42","5932","5941","10.1039/D3CE00940H","","x-ray","1.54184","CuKα","","0.0465","0.0404","","","0.1106","0.1152","","","","","","1.045","","","","has coordinates","287339","2023-11-06","07:25:22",""
"7247472","12.7632","0.0004","5.23201","0.00015","14.4635","0.0004","90","","111.364","0.004","90","","899.46","0.05","250","0.1","250","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","3-benzoylpropionic acid","3-benzoylpropionic acid","","- C10 H10 O3 -","- C10 H10 O3 -","- C40 H40 O12 -","4","1","","Poręba, Tomasz; Świątkowski, Marcin; Confalonieri, Giorgia","Melting pseudosymmetry and thermal expansion in 3-benzoylpropionic acid","CrystEngComm","2023","25","42","5932","5941","10.1039/D3CE00940H","","x-ray","1.54184","CuKα","","0.0476","0.0411","","","0.1148","0.1196","","","","","","1.069","","","","has coordinates","287339","2023-11-06","07:25:22",""
"7247473","15.4013","0.0004","5.2236","0.0001","22.451","0.0006","90","","97.71","0.002","90","","1789.86","0.08","230","0.1","230","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","3-benzoylpropionic acid","3-benzoylpropionic acid","","- C10 H10 O3 -","- C10 H10 O3 -","- C80 H80 O24 -","8","2","","Poręba, Tomasz; Świątkowski, Marcin; Confalonieri, Giorgia","Melting pseudosymmetry and thermal expansion in 3-benzoylpropionic acid","CrystEngComm","2023","25","42","5932","5941","10.1039/D3CE00940H","","x-ray","1.54184","CuKα","","0.0652","0.0482","","","0.1485","0.162","","","","","","1.06","","","","has coordinates","287339","2023-11-06","07:25:22",""
"7247474","15.3811","0.0003","5.21845","0.00012","22.4123","0.0005","90","","97.767","0.002","90","","1782.43","0.07","210","0.1","210","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-benzoylpropionic acid","","- C10 H10 O3 -","- C10 H10 O3 -","- C80 H80 O24 -","8","2","","Poręba, Tomasz; Świątkowski, Marcin; Confalonieri, Giorgia","Melting pseudosymmetry and thermal expansion in 3-benzoylpropionic acid","CrystEngComm","2023","25","42","5932","5941","10.1039/D3CE00940H","","x-ray","1.54184","CuKα","","0.0518","0.0429","","","0.1207","0.1272","","","","","","1.049","","","","has coordinates","287339","2023-11-06","07:25:22",""
"7247475","15.3909","0.0004","5.22159","0.00012","22.4298","0.0006","90","","97.735","0.002","90","","1786.17","0.08","220","0.1","220","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-benzoylpropionic acid","","- C10 H10 O3 -","- C10 H10 O3 -","- C80 H80 O24 -","8","2","","Poręba, Tomasz; Świątkowski, Marcin; Confalonieri, Giorgia","Melting pseudosymmetry and thermal expansion in 3-benzoylpropionic acid","CrystEngComm","2023","25","42","5932","5941","10.1039/D3CE00940H","","x-ray","1.54184","CuKα","","0.0562","0.0451","","","0.1346","0.1434","","","","","","1.061","","","","has coordinates","287339","2023-11-06","07:25:22",""
"7247476","12.7932","0.0005","5.23468","0.00018","14.4811","0.0006","90","","111.423","0.005","90","","902.77","0.07","269.99","0.1","269.99","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","3-benzoylpropionic acid","3-benzoylpropionic acid","","- C10 H10 O3 -","- C10 H10 O3 -","- C40 H40 O12 -","4","1","","Poręba, Tomasz; Świątkowski, Marcin; Confalonieri, Giorgia","Melting pseudosymmetry and thermal expansion in 3-benzoylpropionic acid","CrystEngComm","2023","25","42","5932","5941","10.1039/D3CE00940H","","x-ray","1.54184","CuKα","","0.0518","0.0424","","","0.1159","0.1232","","","","","","1.04","","","","has coordinates","287339","2023-11-06","07:25:22",""
"7247477","15.4043","0.0004","5.2267","0.0001","22.4631","0.0006","90","","97.697","0.003","90","","1792.29","0.08","235","0.1","235","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","3-benzoylpropionic acid","3-benzoylpropionic acid","","- C10 H10 O3 -","- C10 H10 O3 -","- C80 H80 O24 -","8","2","","Poręba, Tomasz; Świątkowski, Marcin; Confalonieri, Giorgia","Melting pseudosymmetry and thermal expansion in 3-benzoylpropionic acid","CrystEngComm","2023","25","42","5932","5941","10.1039/D3CE00940H","","x-ray","1.54184","CuKα","","0.0696","0.0493","","","0.1505","0.165","","","","","","1.071","","","","has coordinates","287339","2023-11-06","07:25:22",""
"7247478","7.1034","0.0006","7.4941","0.0006","15.5567","0.0012","100.593","0.003","91.274","0.003","111.564","0.003","753.39","0.11","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C7 H8 O6 -","- C7 H8 O6 -","- C28 H32 O24 -","4","2","","Ghouari, Nasreddine; Benali-Cherif, Rim; Takouachet, Radhwane; Falek, Wahiba; Missaoui, Djallila; Rahmouni, Ali; Bendeif, El-Eulmi; Benali-Cherif, Nourredine","Crystal engineering of a new pharmaceutical polymorph of gallic acid monohydrate: a structural comparative study and chemical computational quantum investigations","CrystEngComm","2023","25","45","6279","6290","10.1039/D3CE00766A","","","0.71073","MoKα","","0.077","0.0584","","","0.1461","0.154","","","","","","1.147","","","","has coordinates,has disorder","288807","2024-01-06","08:05:42",""
"7247481","13.6491","0.0008","16.3995","0.0007","15.8476","0.0009","90","","102.302","0.005","90","","3465.8","0.3","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H42 N8 O6 -","- C36 H42 N8 O6 -","- C144 H168 N32 O24 -","4","1","","Cai, Zhen-an; Du, Jing; Huang, Tiefan; Ding, Yanjun; Wu, Mingzai","Chloroform-selective vapochromic behavior based on crystal-state host–guest complexation of an organic cage","CrystEngComm","2023","25","41","5778","5781","10.1039/D3CE00882G","","","1.54186","CuKα","","0.0607","0.0407","","","0.1011","0.1075","","","","","","0.952","","","","has coordinates","287333","2023-11-06","07:21:41",""
"7247482","16.4758","0.0008","14.6068","0.0009","19.2419","0.001","90","","114.749","0.004","90","","4205.4","0.4","150","","150","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C38 H44 Cl6 N8 O6 -","- C38 H44 Cl6 N8 O6 -","- C152 H176 Cl24 N32 O24 -","4","0.5","","Cai, Zhen-an; Du, Jing; Huang, Tiefan; Ding, Yanjun; Wu, Mingzai","Chloroform-selective vapochromic behavior based on crystal-state host–guest complexation of an organic cage","CrystEngComm","2023","25","41","5778","5781","10.1039/D3CE00882G","","","1.54186","CuKα","","0.0675","0.0593","","","0.1649","0.172","","","","","","1.101","","","","has coordinates","287333","2023-11-06","07:21:53",""
"7247493","10.9437","0.0002","21.7335","0.0003","25.2207","0.0004","90","","90","","90","","5998.61","0.17","173","2","173","2","","","","","","","","8","P b c m","-P 2c 2b","57","","","","- C40 H50 Ag3 Cl4 F18 N2 P3 S8 -","- C40 H50 Ag3 Cl4 F18 N2 P3 S8 -","- C160 H200 Ag12 Cl16 F72 N8 P12 S32 -","4","0.5","","Kim, Seulgi; Lee, Shim Sung; Kim, Joon Rae; Lee, Eunji","Assembling silver(i) coordination polymers of an NS4-macrocycle via an endo/exocyclic coordination mode","CrystEngComm","2023","25","43","6096","6101","10.1039/D3CE00886J","","","0.71073","MoKα","","0.0732","0.0608","","","0.1562","0.1647","","","","","","1.045","","","","has coordinates,has disorder","288780","2024-01-06","07:55:17",""
"7247494","11.5778","0.0007","12.0547","0.0007","12.4212","0.0008","90","","111.23","0.004","90","","1615.94","0.18","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C25 H31 Ag2 F6 N O6 S4 -","- C25 H31 Ag2 F6 N O6 S4 -","- C50 H62 Ag4 F12 N2 O12 S8 -","2","1","","Kim, Seulgi; Lee, Shim Sung; Kim, Joon Rae; Lee, Eunji","Assembling silver(i) coordination polymers of an NS4-macrocycle via an endo/exocyclic coordination mode","CrystEngComm","2023","25","43","6096","6101","10.1039/D3CE00886J","","","0.71073","MoKα","","0.0349","0.032","","","0.0659","0.0675","","","","","","1.03","","","","has coordinates,has disorder","288780","2024-01-06","07:55:27",""
"7247495","24.3861","0.0009","10.5716","0.0004","24.9876","0.0009","90","","106.3","0.002","90","","6182.9","0.4","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C43 H48 Ag4 Cl2 F12 N2 O12 S12 -","- C43 H48 Ag4 Cl2 F12 N2 O12 S12 -","- C172 H192 Ag16 Cl8 F48 N8 O48 S48 -","4","0.5","","Kim, Seulgi; Lee, Shim Sung; Kim, Joon Rae; Lee, Eunji","Assembling silver(i) coordination polymers of an NS4-macrocycle via an endo/exocyclic coordination mode","CrystEngComm","2023","25","43","6096","6101","10.1039/D3CE00886J","","","0.71073","MoKα","","0.0438","0.0365","","","0.0921","0.097","","","","","","1.03","","","","has coordinates,has disorder","288780","2024-01-06","07:55:29",""
"7247514","7.687","0.0015","16.132","0.003","14.951","0.003","90","","100.35","0.03","90","","1823.9","0.6","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(naphthalen-1-yl)-2-(10-oxoanthracen-9(10H)-ylidene)acetonitrile","","- C26 H15 N O -","- C26 H15 N O -","- C104 H60 N4 O4 -","4","1","","Ravi, Sasikala; Priyadharshini, Prakash; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Madhu, Vedichi; Moon, Dohyun; Anthony, Savarimuthu Philip","Anthracene–naphthylacetonitrile fluorescent isomers and Cl/H substituent dependent molecular packing, solid-state fluorescence and mechanofluorochromism","CrystEngComm","2023","25","45","6303","6309","10.1039/D3CE00718A","","","0.7","synchrotron","","0.0836","0.0687","","","0.217","0.2286","","","","","","1.132","","","","has coordinates","288804","2024-01-06","08:03:43",""
"7247515","16.899","0.003","5.502","0.0011","41.337","0.008","90","","90","","90","","3843.4","1.3","220","2","220","2","","","","","","","","4","P n a 21","P 2c -2n","33","","(Z)-3-(anthracen-9-yl)-2-(naphthalen-2-yl)acrylonitrile","","- C54 H33 Cl N2 -","- C54 H33.011 Cl0.989 N2 -","- C216 H132.044 Cl3.956 N8 -","4","1","","Ravi, Sasikala; Priyadharshini, Prakash; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Madhu, Vedichi; Moon, Dohyun; Anthony, Savarimuthu Philip","Anthracene–naphthylacetonitrile fluorescent isomers and Cl/H substituent dependent molecular packing, solid-state fluorescence and mechanofluorochromism","CrystEngComm","2023","25","45","6303","6309","10.1039/D3CE00718A","","","0.7","synchrotron","","0.0521","0.0419","","","0.1112","0.1166","","","","","","1.023","","","","has coordinates,has disorder","288804","2024-01-06","08:03:44",""
"7247516","20.818","0.004","5.388","0.0011","17.241","0.003","90","","107.1","0.03","90","","1848.4","0.7","220","2","220","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(Z)-3-(anthracen-9-yl)-2-(naphthalen-2-yl)acrylonitrile","","- C27 H17 N -","- C27 H17 N -","- C108 H68 N4 -","4","1","","Ravi, Sasikala; Priyadharshini, Prakash; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Madhu, Vedichi; Moon, Dohyun; Anthony, Savarimuthu Philip","Anthracene–naphthylacetonitrile fluorescent isomers and Cl/H substituent dependent molecular packing, solid-state fluorescence and mechanofluorochromism","CrystEngComm","2023","25","45","6303","6309","10.1039/D3CE00718A","","","0.63","synchrotron","","0.0577","0.0475","","","0.1404","0.1473","","","","","","1.102","","","","has coordinates","288804","2024-01-06","08:03:44",""
"7247517","7.1203","0.0004","12.9924","0.0007","16.795","0.001","90.201","0.002","98.985","0.001","98.48","0.002","1517.3","0.15","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H35 N5 O4 -","- C33 H35 N5 O4 -","- C66 H70 N10 O8 -","2","1","","Kang, Yanlei; Chen, Jiahui; Hu, Xiurong; Jiang, Yunliang; Li, Zhong","A cocrystal prediction method of graph neural networks based on molecular spatial information and global attention","CrystEngComm","2023","25","46","6405","6415","10.1039/D3CE00535F","","","0.71073","MoKα","","0.1021","0.0555","","","0.125","0.1611","","","","","","1","","","","has coordinates","288788","2024-01-06","07:56:53",""
"7247520","9.231","0.0002","11.1587","0.0002","11.8072","0.0002","109.53","0.002","108.436","0.002","100.043","0.002","1032.67","0.04","152","5","152","5","","","","","","","","5","P -1","-P 1","2","","","","- C23 H19 F N2 O11 -","- C23 H19 F N2 O11 -","- C46 H38 F2 N4 O22 -","2","1","","Zhang, Min; Gu, Dai-Lin; Zhen, Jian-Feng; Lu, Tong-Bu; Dai, Xia-Lin; Chen, Jia-Mei","A novel drug–drug cocrystal of tegafur and myricetin: optimized properties of dissolution and tabletability","CrystEngComm","2023","25","44","6171","6179","10.1039/D3CE00794D","","x-ray","1.54184","CuKα","","0.0487","0.046","","","0.1259","0.1277","","","","","","1.033","","","","has coordinates","288772","2024-01-06","07:53:34",""
"7247534","8.4502","0.0004","21.4984","0.0012","8.7348","0.0006","90","","105.103","0.003","90","","1532","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 I N2 O2 -","- C15 H16 I N2 O2 -","- C60 H64 I4 N8 O8 -","4","1","","Shurikov, Matvey K.; Tretyakov, Evgeny V.; Petunin, Pavel V.; Votkina, Darya E.; Romanenko, Galina V.; Bogomyakov, Artem S.; Burguera, Sergi; Frontera, Antonio; Kukushkin, Vadim Yu.; Postnikov, Pavel S.","Self-assembly of iodoacetylenyl-substituted nitronyl nitroxides via halogen bonding","CrystEngComm","2023","25","44","6152","6161","10.1039/D3CE00735A","","","0.71073","MoKα","","0.0822","0.0383","","","0.057","0.0659","","","","","","0.77","","","","has coordinates","288777","2024-01-06","07:54:34",""
"7247535","9.7329","0.0016","12.393","0.002","14.382","0.002","78.384","0.009","72.269","0.009","72.195","0.009","1562","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H16 I N2 O2 -","- C15 H16 I N2 O2 -","- C60 H64 I4 N8 O8 -","4","2","","Shurikov, Matvey K.; Tretyakov, Evgeny V.; Petunin, Pavel V.; Votkina, Darya E.; Romanenko, Galina V.; Bogomyakov, Artem S.; Burguera, Sergi; Frontera, Antonio; Kukushkin, Vadim Yu.; Postnikov, Pavel S.","Self-assembly of iodoacetylenyl-substituted nitronyl nitroxides via halogen bonding","CrystEngComm","2023","25","44","6152","6161","10.1039/D3CE00735A","","","0.71073","MoKα","","0.0792","0.0413","","","0.0775","0.0901","","","","","","0.893","","","","has coordinates","288777","2024-01-06","07:54:35",""
"7247536","9.0392","0.0004","9.0518","0.0003","13.7313","0.0006","76.202","0.001","74.883","0.001","67.225","0.001","988.05","0.07","173","2","173","2","","","","","","","","3","P -1","-P 1","2","none","N,N'-bis(5-phenyl-5H-dibenzo[a,d][7]annulen-5-yl)ethane-1,2-diamine pyridine clathrate","","- C54 H46 N4 -","- C54 H46 N4 -","- C54 H46 N4 -","1","0.5","","Barton, Benita; Caira, Mino R.; Trollip, Danica B.; Hosten, Eric C.","The behaviour of tricyclic fused host systems comprising seven-membered B-rings in mixed pyridines","CrystEngComm","2023","25","45","6317","6328","10.1039/D3CE00811H","","","0.71073","MoKα","","0.0838","0.0476","","","0.1062","0.13","","","","","","1.082","","","","has coordinates","288805","2024-01-06","08:03:54",""
"7247537","8.9716","0.0005","9.2886","0.0005","13.8221","0.0008","75.212","0.003","76.005","0.003","66.684","0.003","1009.8","0.1","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","N,N'-Bis(5-phenyl-10,11-dihydro-5-dibenzo[a,d]cycloheptenyl)ethylenediamine","","- C54 H50 N4 -","- C54 H50 N4 -","- C54 H50 N4 -","1","0.5","","Barton, Benita; Caira, Mino R.; Trollip, Danica B.; Hosten, Eric C.","The behaviour of tricyclic fused host systems comprising seven-membered B-rings in mixed pyridines","CrystEngComm","2023","25","45","6317","6328","10.1039/D3CE00811H","","","0.71073","MoKα","","0.058","0.0406","","","0.0875","0.0974","","","","","","1.047","","","","has coordinates","288805","2024-01-06","08:03:54",""
"7247538","8.7173","0.0006","11.2718","0.0008","12.6826","0.0009","108.163","0.003","105.764","0.002","104.337","0.002","1061.65","0.13","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","N,N'-Bis(5-phenyl-5-dibenzo[a,d]cycloheptenyl)ethylenediamine","","- C56 H50 N4 -","- C56 H50 N4 -","- C56 H50 N4 -","1","0.5","","Barton, Benita; Caira, Mino R.; Trollip, Danica B.; Hosten, Eric C.","The behaviour of tricyclic fused host systems comprising seven-membered B-rings in mixed pyridines","CrystEngComm","2023","25","45","6317","6328","10.1039/D3CE00811H","","","0.71073","MoKα","","0.0474","0.0392","","","0.102","0.1095","","","","","","1.029","","","","has coordinates,has disorder","288805","2024-01-06","08:03:54",""
"7247539","9.0013","0.0003","26.7346","0.0009","9.0416","0.0003","90","","114.066","0.002","90","","1986.7","0.12","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","N,N'-Bis(5-phenyl-10,11-dihydro-5-dibenzo[a,d]cycloheptenyl)ethylenediamine","","- C106 H101 N7 -","- C106 H101 N7 -","- C106 H101 N7 -","1","0.25","","Barton, Benita; Caira, Mino R.; Trollip, Danica B.; Hosten, Eric C.","The behaviour of tricyclic fused host systems comprising seven-membered B-rings in mixed pyridines","CrystEngComm","2023","25","45","6317","6328","10.1039/D3CE00811H","","","0.71073","MoKα","","0.0658","0.0499","","","0.1238","0.1362","","","","","","1.019","","","","has coordinates,has disorder","288805","2024-01-06","08:03:54",""
"7247540","8.9471","0.001","9.974","0.0011","13.4375","0.0014","73.488","0.004","75.543","0.004","74.301","0.004","1087.2","0.2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","N,N'-Bis(5-phenyl-5-dibenzo[a,d]cycloheptenyl)ethylenediamine","","- C56 H50 N4 -","- C56 H50 N4 -","- C56 H50 N4 -","1","0.5","","Barton, Benita; Caira, Mino R.; Trollip, Danica B.; Hosten, Eric C.","The behaviour of tricyclic fused host systems comprising seven-membered B-rings in mixed pyridines","CrystEngComm","2023","25","45","6317","6328","10.1039/D3CE00811H","","","0.71073","MoKα","","0.0715","0.0604","","","0.1718","0.1859","","","","","","1.049","","","","has coordinates,has disorder","288805","2024-01-06","08:03:54",""
"7247541","13.3215","0.0013","6.9213","0.0005","13.3412","0.0015","90","","105.928","0.01","90","","1182.9","0.2","100","2","100","0.11","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","methyl 7-fluoro-3-hydroxy-1,1-dimethyl-1,3-dihydrobenzo[c][1,2,5]oxasilaborole-4-carboxylate","","- C10 H12 B F O4 Si -","- C10 H12 B F O4 Si -","- C40 H48 B4 F4 O16 Si4 -","4","1","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","x-ray","1.54184","CuKα","","0.0664","0.0528","","","0.1395","0.153","","","","","","1.024","","","","has coordinates","288806","2024-01-06","08:04:30",""
"7247542","8.3772","0.0003","11.1912","0.0003","12.2672","0.0004","90","","102.988","0.003","90","","1120.64","0.06","100","2","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1,1-dimethyl-4-(trifluoromethyl)-3-hydroxybenzo[c][1,2,3]siloxaborole","","- C9 H10 B F3 O2 Si -","- C9 H10 B F3 O2 Si -","- C36 H40 B4 F12 O8 Si4 -","4","1","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","x-ray","1.54184","CuKα","","0.0367","0.0351","","","0.0928","0.0942","","","","","","1.041","","","","has coordinates","288806","2024-01-06","08:04:41",""
"7247543","9.9043","0.0004","9.509","0.0003","12.4382","0.0005","90","","108.389","0.005","90","","1111.61","0.08","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","1,1-dimethyl-4-cyano-7-fluoro-3-hydroxybenzo[c][1,2,3]siloxaborole","","- C9 H9 B F N O2 Si -","- C9 H9 B F N O2 Si -","- C36 H36 B4 F4 N4 O8 Si4 -","4","1","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","x-ray","0.71073","MoKα","","0.0445","0.0362","","","0.0878","0.0935","","","","","","1.073","","","","has coordinates","288806","2024-01-06","08:04:45",""
"7247544","7.5415","0.0002","6.9154","0.0002","10.0942","0.0002","90","","95.474","0.002","90","","524.04","0.02","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","1,1-dimethyl-7-fluoro-6-formylo-2,1,3-benzoxasilaborol-3(1H)-ol","","- C9 H10 B F O3 Si -","- C9 H10 B F O3 Si -","- C18 H20 B2 F2 O6 Si2 -","2","0.5","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","","0.71073","MoKα","","0.0374","0.0333","","","0.0925","0.0961","","","","","","1.078","","","","has coordinates","288806","2024-01-06","08:04:58",""
"7247545","14.5174","0.0004","10.1711","0.0001","14.6098","0.0008","90","","95.774","0.006","90","","2146.31","0.14","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H10 B Cl O2 Si -","- C8 H10 B Cl O2 Si -","- C64 H80 B8 Cl8 O16 Si8 -","8","2","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","x-ray","1.54184","CuKα","","0.0297","0.029","","","0.0805","0.0813","","","","","","1.059","","","","has coordinates","288806","2024-01-06","08:05:03",""
"7247546","13.6654","0.0006","18.404","0.0007","8.4758","0.0003","90","","96.021","0.004","90","","2119.89","0.15","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1,1-dimethyl-6-cyano-3-hydroxybenzo[c][1,2,3]siloxaborole","","- C9 H10 B N O2 Si -","- C9 H10 B N O2 Si -","- C72 H80 B8 N8 O16 Si8 -","8","2","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","x-ray","1.54184","CuKα","","0.0423","0.035","","","0.0921","0.0985","","","","","","1.027","","","","has coordinates","288806","2024-01-06","08:05:14",""
"7247547","8.9458","0.0003","10.0166","0.0004","25.8341","0.0009","90","","90","","90","","2314.9","0.15","130","2","130","2","","","","","","","","6","P n a 21","P 2c -2n","33","","1,1-dimethyl-6-fluoro-2,1,3-benzoxasilaborol-3(1H)-ol","","- C8 H10 B F O2 Si -","- C8 H10 B F O2 Si -","- C64 H80 B8 F8 O16 Si8 -","8","2","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","x-ray","0.71073","MoKα","","0.0788","0.0521","","","0.1043","0.1165","","","","","","0.998","","","","has coordinates","288806","2024-01-06","08:05:17",""
"7247548","14.0599","0.0009","10.9765","0.0002","14.9951","0.0016","90","","94.876","0.011","90","","2305.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1,1-dimethyl-6-(trifluoromethyl)-3-hydroxybenzo[c][1,2,3]siloxaborole","","- C9 H10 B F3 O2 Si -","- C9 H10 B F3 O2 Si -","- C72 H80 B8 F24 O16 Si8 -","8","2","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","","0.71073","MoKα","","0.0782","0.0499","","","0.1219","0.1386","","","","","","1.035","","","","has coordinates","288806","2024-01-06","08:05:18",""
"7247549","7.0678","0.0002","16.2162","0.0003","12.8481","0.0003","90","","97.58","0.002","90","","1459.69","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,1-dimethyl-7-(dihydroxyborono)-2,1,3-benzoxasilaborol-3(1H)-ol","","- C11 H18 B2 O5 Si -","- C11 H18 B2 O5 Si -","- C44 H72 B8 O20 Si4 -","4","1","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","x-ray","0.71073","MoKα","","0.0676","0.0438","","","0.1094","0.124","","","","","","1.055","","","","has coordinates","288806","2024-01-06","08:05:20",""
"7247550","15.6371","0.0001","15.6371","0.0001","17.646","0.0002","90","","90","","90","","4314.78","0.06","100","2","100","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","6-bromo-1,1-dimethyl-2,1,3-benzoxasilaborol-3(1H)-ol","","- C8 H10 B Br O2 Si -","- C8 H10 B Br O2 Si -","- C128 H160 B16 Br16 O32 Si16 -","16","1","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","x-ray","0.71073","MoKα","","0.0371","0.0239","","","0.0533","0.0583","","","","","","1.046","","","","has coordinates","288806","2024-01-06","08:05:23",""
"7247551","15.507","0.0001","15.507","0.0001","17.3326","0.0002","90","","90","","90","","4167.92","0.06","100","2","100","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","1,1-dimethyl-7-chloro-3-hydroxybenzo[c][1,2,3]siloxaborole","","- C8 H10 B Cl O2 Si -","- C8 H10 B Cl O2 Si -","- C128 H160 B16 Cl16 O32 Si16 -","16","1","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","","1.54178","CuKα","","0.0307","0.0304","","","0.0865","0.0868","","","","","","1.095","","","","has coordinates","288806","2024-01-06","08:05:24",""
"7247552","15.5827","0.0001","15.5827","0.0001","17.2392","0.0003","90","","90","","90","","4186.03","0.08","100","2","100","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C9 H11 B O3 Si -","- C9 H11 B O3 Si -","- C144 H176 B16 O48 Si16 -","16","1","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","x-ray","0.71073","MoKα","","0.0787","0.0527","","","0.1256","0.1427","","","","","","1.023","","","","has coordinates,has disorder","288806","2024-01-06","08:05:24",""
"7247553","12.917","0.0004","9.3267","0.0002","18.3757","0.0008","90","","91.43","0.005","90","","2213.09","0.13","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1,1-dimethyl-6,7-dichloro-2,1,3-benzoxasilaborol-3(1H)-ol","","- C8 H9 B Cl2 O2 Si -","- C8 H9 B Cl2 O2 Si -","- C64 H72 B8 Cl16 O16 Si8 -","8","2","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","x-ray","0.71073","MoKα","","0.0546","0.0379","","","0.0855","0.0941","","","","","","1.057","","","","has coordinates","288806","2024-01-06","08:05:27",""
"7247554","7.0164","0.0003","12.3417","0.0006","18.5513","0.001","93.405","0.004","93.926","0.004","105.818","0.004","1536.87","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","1,1-dimethyl-5,6-difluoro-2,1,3-benzoxasilaborol-3(1H)-ol","","- C8 H9 B F2 O2 Si -","- C8 H9 B F2 O2 Si -","- C48 H54 B6 F12 O12 Si6 -","6","3","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","x-ray","1.54184","CuKα","","0.0535","0.0477","","","0.1219","0.1298","","","","","","1.063","","","","has coordinates","288806","2024-01-06","08:05:29",""
"7247555","8.5329","0.0004","17.0749","0.0004","13.9049","0.0009","90","","101.787","0.007","90","","1983.2","0.17","100","2","100.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1,1-dimethyl-5-fluoro-2,1,3-benzoxasilaborol-3(1H)-ol","","- C8 H10 B F O2 Si -","- C8 H10 B F O2 Si -","- C64 H80 B8 F8 O16 Si8 -","8","2","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","x-ray","0.71073","MoKα","","0.0533","0.0424","","","0.0975","0.1044","","","","","","1.028","","","","has coordinates","288806","2024-01-06","08:05:32",""
"7247556","6.9101","0.0004","8.4399","0.0004","10.1501","0.0004","86.142","0.004","72.322","0.004","70.59","0.005","531.58","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","1,1-dimethyl-6,7-difluoro-6-formylo-2,1,3-benzoxasilaborol-3(1H)-ol","","- C9 H9 B F2 O3 Si -","- C9 H9 B F2 O3 Si -","- C18 H18 B2 F4 O6 Si2 -","2","1","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","","0.7107","MoKα","","0.0327","0.0293","","","0.0845","0.0878","","","","","","1.033","","","","has coordinates","288806","2024-01-06","08:05:33",""
"7247557","14.4016","0.0009","8.5877","0.0003","25.338","0.002","90","","95.665","0.009","90","","3118.4","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1,1-dimethyl-6,7-difluoro-2,1,3-benzoxasilaborol-3(1H)-ol","","- C8 H9 B F2 O2 Si -","- C8 H9 B F2 O2 Si -","- C96 H108 B12 F24 O24 Si12 -","12","3","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","","1.5418","CuKα","","0.0448","0.0376","","","0.0989","0.1047","","","","","","1.056","","","","has coordinates","288806","2024-01-06","08:05:34",""
"7247558","6.6288","0.0002","11.6079","0.0004","29.9883","0.0012","90","","90","","90","","2307.49","0.14","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","1,1-dimethyl-7-iodo-2,1,3-benzoxasilaborol-3(1H)-ol","","- C8 H10 B I O2 Si -","- C8 H10 B I O2 Si -","- C64 H80 B8 I8 O16 Si8 -","8","1","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","x-ray","0.71073","MoKα","","0.0804","0.0593","","","0.1166","0.1264","","","","","","1.154","","","","has coordinates","288806","2024-01-06","08:05:34",""
"7247559","8.616","0.0002","9.8164","0.0003","17.2931","0.0004","103.181","0.002","93.671","0.002","100.986","0.002","1389.12","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","1,1-dimethyl-7-(trimethylsilyl)-3-hydroxybenzo[c][1,2,3]siloxaborole","","- C11 H19 B O2 Si2 -","- C11 H19 B O2 Si2 -","- C44 H76 B4 O8 Si8 -","4","2","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","x-ray","0.71073","MoKα","","0.045","0.0378","","","0.0997","0.1059","","","","","","1.031","","","","has coordinates","288806","2024-01-06","08:05:34",""
"7247560","15.8197","0.0002","15.8197","0.0002","18.3035","0.0005","90","","90","","90","","4580.69","0.15","100","2","100","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","1,1-dimethyl-7-(trifluoromethyl)-3-hydroxybenzo[c][1,2,3]siloxaborole","","- C9 H10 B F3 O2 Si -","- C9 H10 B F3 O2 Si -","- C144 H160 B16 F48 O32 Si16 -","16","1","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","x-ray","0.71073","MoKα","","0.0446","0.037","","","0.09","0.0953","","","","","","1.055","","","","has coordinates","288806","2024-01-06","08:05:34",""
"7247561","8.3266","0.0001","6.6782","0.0001","18.9086","0.0002","90","","96.84","0.001","90","","1043.96","0.02","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1,1-dimethyl-5,6-difluoro-2,1,3-benzoxasilaborol-3(1H)-ol","","- C8 H9 B F2 O2 Si -","- C8 H9 B F2 O2 Si -","- C32 H36 B4 F8 O8 Si4 -","4","1","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","x-ray","1.54184","CuKα","","0.0357","0.0346","","","0.0962","0.0969","","","","","","1.136","","","","has coordinates","288806","2024-01-06","08:05:34",""
"7247562","15.3391","0.0001","15.3391","0.0001","16.9322","0.0003","90","","90","","90","","3983.94","0.08","100","2","100","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","1,1-dimethyl-7-fluoro-2,1,3-benzoxasilaborol-3(1H)-ol","","- C8 H10 B F O2 Si -","- C8 H10 B F O2 Si -","- C128 H160 B16 F16 O32 Si16 -","16","1","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","","0.71073","MoKα","","0.0672","0.0374","","","0.0866","0.0996","","","","","","1.026","","","","has coordinates","288806","2024-01-06","08:05:34",""
"7247563","11.1355","0.0012","10.6673","0.0003","12.051","0.003","90","","112.31","0.03","90","","1324.3","0.5","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,1,6,6-tetramethyl-[1,3]dioxolo[4',5':4,5]benzo[1,2-c][1,2,5]oxasilaborol-3(1H)-ol","","- C11 H15 B O4 Si -","- C11 H15 B O4 Si -","- C44 H60 B4 O16 Si4 -","4","1","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","","0.7107","MoKα","","0.0556","0.0417","","","0.1083","0.1181","","","","","","1.044","","","","has coordinates","288806","2024-01-06","08:05:34",""
"7247564","7.9293","0.0007","8.574","0.0007","11.9825","0.001","81.591","0.002","88.173","0.002","89.232","0.002","805.44","0.12","298","2","298","2","","","","","","","","5","P -1","-P 1","2","Manganese-organic Compound","","","- C17 H16 Mn0.5 N4 O3 -","- C17 H16 Mn0.5 N4 O3 -","- C34 H32 Mn N8 O6 -","2","1","","Das, Chhatan; Debnath, Subhrajyoti; Patel, Vishwas D.; Gupta, Dhritiman; Banerjee, Anjan; Mahata, Partha","Differential supercapacitor and Schottky diode behaviours in two new isostructural coordination polymers based on redox active metal ions","CrystEngComm","2023","25","45","6343","6353","10.1039/D3CE00883E","","","0.71073","MoKα","","0.087","0.071","","","0.11","0.1152","","","","","","1.225","","","","has coordinates","288808","2024-01-06","08:05:48",""
"7247565","7.9266","0.0008","8.5888","0.0008","11.8991","0.0011","82.016","0.003","87.908","0.003","89.364","0.003","801.69","0.13","298","2","298","2","","","","","","","","5","P -1","-P 1","2","Iron-organic Compound","","","- C17 H16 Fe0.5 N4 O3 -","- C17 H16 Fe0.5 N4 O3 -","- C34 H32 Fe N8 O6 -","2","1","","Das, Chhatan; Debnath, Subhrajyoti; Patel, Vishwas D.; Gupta, Dhritiman; Banerjee, Anjan; Mahata, Partha","Differential supercapacitor and Schottky diode behaviours in two new isostructural coordination polymers based on redox active metal ions","CrystEngComm","2023","25","45","6343","6353","10.1039/D3CE00883E","","","0.71073","MoKα","","0.0667","0.0504","","","0.101","0.1077","","","","","","1.09","","","","has coordinates","288808","2024-01-06","08:05:48",""
"7247566","22.3092","0.0014","7.1387","0.0005","7.1638","0.0005","90","","98.471","0.002","90","","1128.45","0.13","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- As Br2 La3 S5 -","- As Br2 La3 S5 -","- As4 Br8 La12 S20 -","4","1","","Cicirello, Andrea; Swindle, Andrew; Wang, Jian","Visualizing the alignment of lone pair electrons in La3AsS5Br2 and La5As2S9Cl3 to form an acentric or centrosymmetric structure","CrystEngComm","2023","25","45","6354","6360","10.1039/D3CE00834G","","","1.54178","CuKα","","0.0444","0.0444","","","0.1058","0.1058","","","","","","0.832","","","","has coordinates","288811","2024-01-06","08:06:43",""
"7247567","7.0472","0.0003","7.1152","0.0003","37.1137","0.0013","90","","90","","90","","1860.96","0.13","296","2","296","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- As2 Cl3 La5 S9 -","- As2 Cl3 La5 S9 -","- As8 Cl12 La20 S36 -","4","0.5","","Cicirello, Andrea; Swindle, Andrew; Wang, Jian","Visualizing the alignment of lone pair electrons in La3AsS5Br2 and La5As2S9Cl3 to form an acentric or centrosymmetric structure","CrystEngComm","2023","25","45","6354","6360","10.1039/D3CE00834G","","","1.54178","CuKα","","0.0414","0.0398","","","0.1123","0.1138","","","","","","1.046","","","","has coordinates","288811","2024-01-06","08:06:53",""
"7247568","19.794","0.0002","19.794","0.0002","9.0285","0.0001","90","","90","","120","","3063.47","0.06","155","7","155","7","","","","","","","","6","P 63","P 6c","173","","MHOF-PO4-2","","- C45 H63 Cu3 N6 O16 P -","- C45 H63 Cu3 N6 O16 P -","- C90 H126 Cu6 N12 O32 P2 -","2","0.333333","","Zhou, Mi; Wang, Yujiang; Yuan, Guoyuan; Ju, Zhanfeng; Yuan, Daqiang","Synthesis and characterization of two metallo-hydrogen-bonded organic frameworks with diverse structures and properties","CrystEngComm","2023","25","44","6132","6136","10.1039/D3CE00917C","","","1.54184","CuKα","","0.0203","0.0199","","","0.0536","0.0541","","","","","","1.084","","","","has coordinates","288776","2024-01-06","07:54:28",""
"7247569","37.4254","0.0002","37.4254","0.0002","37.4254","0.0002","90","","90","","90","","52420.3","0.5","100","0.3","100","0.3","","","","","","","","6","F 41 3 2","F 4d 2 3","210","","MHOF-PO4-1","","- C45 H69 Cu3 N6 O19 P -","- C45 H69 Cu3 N6 O19 P -","- C1440 H2208 Cu96 N192 O608 P32 -","32","0.333333","","Zhou, Mi; Wang, Yujiang; Yuan, Guoyuan; Ju, Zhanfeng; Yuan, Daqiang","Synthesis and characterization of two metallo-hydrogen-bonded organic frameworks with diverse structures and properties","CrystEngComm","2023","25","44","6132","6136","10.1039/D3CE00917C","","","1.54184","CuKα","","0.0651","0.0538","","","0.1547","0.1632","","","","","","0.992","","","","has coordinates","288776","2024-01-06","07:54:28",""
"7247577","10.807","0.0006","11.9118","0.0007","12.0215","0.0007","118.315","0.001","98.197","0.002","98.075","0.002","1309.44","0.13","273.15","","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H19 N5 O4 Zn -","- C31 H19 N5 O4 Zn -","- C62 H38 N10 O8 Zn2 -","2","1","","Li, Ya-Ping; Zhang, Jian-Hua; Zhang, Xiao-Xia; Liu, Sui-Jun","2D → 3D polycatenated Zn(ii) metal–organic framework with good chemical stability as a fluorescent sensor toward salicylaldehyde, acetylacetone and H2PO4−","CrystEngComm","2023","25","46","6424","6433","10.1039/D3CE00961K","","","0.71073","MoKα","","0.1473","0.0735","","","0.1679","0.2099","","","","","","1.027","","","","has coordinates,has disorder","288783","2024-01-06","07:56:14",""
"7247579","4.83768","0.00017","14.8178","0.0005","20.0275","0.0006","90","","95.964","0.003","90","","1427.88","0.08","99.9","0.8","99.9","0.8","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 N2 O6 -","- C15 H14 N2 O6 -","- C60 H56 N8 O24 -","4","1","","Sobczak, Paulina; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","New Schiff base salts as sources of blue and green light in the solid state: the role of the anion and protonation","CrystEngComm","2023","25","44","6185","6193","10.1039/D3CE00758H","","x-ray","1.54184","CuKα","","0.0649","0.0568","","","0.1666","0.1731","","","","","","1.092","","","","has coordinates","288773","2024-01-06","07:53:45",""
"7247580","4.7204","0.0001","21.155","0.0005","15.1364","0.0003","90","","92.616","0.002","90","","1509.95","0.06","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 Br N O4 -","- C15 H16 Br N O4 -","- C60 H64 Br4 N4 O16 -","4","1","","Sobczak, Paulina; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","New Schiff base salts as sources of blue and green light in the solid state: the role of the anion and protonation","CrystEngComm","2023","25","44","6185","6193","10.1039/D3CE00758H","","x-ray","1.54184","CuKα","","0.0491","0.0441","","","0.1075","0.1102","","","","","","1.067","","","","has coordinates","288773","2024-01-06","07:53:46",""
"7247581","4.4714","0.0001","9.3275","0.0002","17.7797","0.0005","90","","90.109","0.002","90","","741.54","0.03","100","0.1","100","0.1","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C15 H15 N O7 S -","- C15 H15 N O7 S -","- C30 H30 N2 O14 S2 -","2","1","","Sobczak, Paulina; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","New Schiff base salts as sources of blue and green light in the solid state: the role of the anion and protonation","CrystEngComm","2023","25","44","6185","6193","10.1039/D3CE00758H","","x-ray","1.54184","CuKα","","0.0265","0.026","","","0.0708","0.0711","","","","","","1.073","","","","has coordinates","288773","2024-01-06","07:53:46",""
"7247582","4.7037","0.0001","20.9656","0.0003","14.8427","0.0002","90","","92.196","0.001","90","","1462.65","0.04","100","0.13","100","0.13","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 Cl N O4 -","- C15 H16 Cl N O4 -","- C60 H64 Cl4 N4 O16 -","4","1","","Sobczak, Paulina; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","New Schiff base salts as sources of blue and green light in the solid state: the role of the anion and protonation","CrystEngComm","2023","25","44","6185","6193","10.1039/D3CE00758H","","x-ray","1.54184","CuKα","","0.046","0.0392","","","0.0992","0.1029","","","","","","1.044","","","","has coordinates","288773","2024-01-06","07:53:46",""
"7247583","7.9912","0.0001","21.7863","0.0002","9.0403","0.0001","90","","100.091","0.001","90","","1549.56","0.03","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 N O7 P -","- C15 H16 N O7 P -","- C60 H64 N4 O28 P4 -","4","1","","Sobczak, Paulina; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","New Schiff base salts as sources of blue and green light in the solid state: the role of the anion and protonation","CrystEngComm","2023","25","44","6185","6193","10.1039/D3CE00758H","","x-ray","1.54184","CuKα","","0.0293","0.0284","","","0.0736","0.0742","","","","","","1.066","","","","has coordinates","288773","2024-01-06","07:53:46",""
"7247584","3.89223","0.00004","10.76523","0.0001","15.40737","0.00014","109.037","0.0008","94.011","0.0008","90.8565","0.0008","608.291","0.011","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C30 H26 N2 O6 -","2","1","","Sobczak, Paulina; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","New Schiff base salts as sources of blue and green light in the solid state: the role of the anion and protonation","CrystEngComm","2023","25","44","6185","6193","10.1039/D3CE00758H","","x-ray","1.54184","CuKα","","0.0353","0.0337","","","0.0934","0.0944","","","","","","1.086","","","","has coordinates","288773","2024-01-06","07:53:46",""
"7247585","3.82566","0.00003","15.0716","0.00006","21.1995","0.00009","90","","92.4431","0.0005","90","","1221.23","0.012","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C60 H52 N4 O12 -","4","1","","Sobczak, Paulina; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","New Schiff base salts as sources of blue and green light in the solid state: the role of the anion and protonation","CrystEngComm","2023","25","44","6185","6193","10.1039/D3CE00758H","","x-ray","1.54184","CuKα","","0.0346","0.0339","","","0.0887","0.0893","","","","","","1.057","","","","has coordinates","288773","2024-01-06","07:53:46",""
"7247591","6.9004","0.0007","10.5029","0.0011","15.8453","0.0017","95.066","0.004","92.516","0.004","100.761","0.003","1121.6","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H28 N2 O7 -","- C25 H28 N2 O7 -","- C50 H56 N4 O14 -","2","1","","Kawahata, Masatoshi; Yamamoto, Haruka; Tominaga, Masahide; Yamaguchi, Kentaro","Multiple intermolecular interactions in guest inclusion by acyclic host compounds","CrystEngComm","2023","25","44","6137","6143","10.1039/D3CE00775H","","","1.54178","CuKα","","0.0414","0.0375","","","0.104","0.1075","","","","","","1.058","","","","has coordinates","288774","2024-01-06","07:53:56",""
"7247592","7.0715","0.001","10.4603","0.0014","15.71","0.002","95.12","0.004","94.102","0.005","99.743","0.004","1136.3","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H28 N2 O8 -","- C25 H28 N2 O8 -","- C50 H56 N4 O16 -","2","1","","Kawahata, Masatoshi; Yamamoto, Haruka; Tominaga, Masahide; Yamaguchi, Kentaro","Multiple intermolecular interactions in guest inclusion by acyclic host compounds","CrystEngComm","2023","25","44","6137","6143","10.1039/D3CE00775H","","","1.54178","CuKα","","0.0501","0.0462","","","0.1347","0.1389","","","","","","1.131","","","","has coordinates,has disorder","288774","2024-01-06","07:53:57",""
"7247593","7.0766","0.0014","10.505","0.002","15.939","0.003","95.513","0.006","93.85","0.006","100.486","0.005","1155.4","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H30 N2 O7 -","- C26 H30 N2 O7 -","- C52 H60 N4 O14 -","2","1","","Kawahata, Masatoshi; Yamamoto, Haruka; Tominaga, Masahide; Yamaguchi, Kentaro","Multiple intermolecular interactions in guest inclusion by acyclic host compounds","CrystEngComm","2023","25","44","6137","6143","10.1039/D3CE00775H","","","1.54178","CuKα","","0.0389","0.0381","","","0.1028","0.104","","","","","","1.058","","","","has coordinates,has disorder","288774","2024-01-06","07:53:57",""
"7247594","10.8801","0.0012","12.8327","0.0014","13.3727","0.0014","90","","93.49","0.004","90","","1863.6","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 N2 O6 -","- C22 H22 N2 O6 -","- C88 H88 N8 O24 -","4","1","","Kawahata, Masatoshi; Yamamoto, Haruka; Tominaga, Masahide; Yamaguchi, Kentaro","Multiple intermolecular interactions in guest inclusion by acyclic host compounds","CrystEngComm","2023","25","44","6137","6143","10.1039/D3CE00775H","","","1.54178","CuKα","","0.035","0.035","","","0.0874","0.0874","","","","","","1.039","","","","has coordinates","288774","2024-01-06","07:53:57",""
"7247595","6.6173","0.0006","13.6049","0.0011","20.3294","0.0017","90","","90","","90","","1830.2","0.3","100","2","100","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- C22 H22 N2 O6 -","- C22 H22 N2 O6 -","- C88 H88 N8 O24 -","4","0.25","","Kawahata, Masatoshi; Yamamoto, Haruka; Tominaga, Masahide; Yamaguchi, Kentaro","Multiple intermolecular interactions in guest inclusion by acyclic host compounds","CrystEngComm","2023","25","44","6137","6143","10.1039/D3CE00775H","","","1.54178","CuKα","","0.0403","0.0389","","","0.1129","0.1149","","","","","","1.101","","","","has coordinates","288774","2024-01-06","07:53:57",""
"7247596","7.1643","0.0012","9.8755","0.0016","17.073","0.003","84.131","0.005","85.474","0.005","72.254","0.005","1143","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H30 N2 O6 -","- C26 H30 N2 O6 -","- C52 H60 N4 O12 -","2","1","","Kawahata, Masatoshi; Yamamoto, Haruka; Tominaga, Masahide; Yamaguchi, Kentaro","Multiple intermolecular interactions in guest inclusion by acyclic host compounds","CrystEngComm","2023","25","44","6137","6143","10.1039/D3CE00775H","","","1.54178","CuKα","","0.0362","0.0342","","","0.0905","0.092","","","","","","1.055","","","","has coordinates","288774","2024-01-06","07:53:57",""
"7247597","9.7285","0.0009","9.8676","0.0009","16.7911","0.0015","90","","97.648","0.003","90","","1597.6","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H36 Cl2 Co N12 O14 -","- C18 H36 Cl2 Co N12 O14 -","- C36 H72 Cl4 Co2 N24 O28 -","2","0.5","","Kuang, Baolong; Wang, Tingwei; Zhang, Chao; Zhang, Han; Lu, Zujia; Xie, Zhiming; Xu, Meiqi; Yi, Zhenxin; Zhang, Jianguo","2-Imidazolidone metal complexes: increased hydrogen bonds and fused ring ligand ratio to be insensitive","CrystEngComm","2023","25","46","6449","6454","10.1039/D3CE00891F","","","0.71073","MoKα","","0.0891","0.0601","","","0.1629","0.1798","","","","","","1.061","","","","has coordinates,has disorder","288785","2024-01-06","07:56:31",""
"7247598","7.4339","0.0007","8.4275","0.0008","9.0714","0.0008","87.583","0.003","78.69","0.002","77.157","0.002","543.34","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H24 Cl2 Cu N8 O12 -","- C12 H24 Cl2 Cu N8 O12 -","- C12 H24 Cl2 Cu N8 O12 -","1","0.5","","Kuang, Baolong; Wang, Tingwei; Zhang, Chao; Zhang, Han; Lu, Zujia; Xie, Zhiming; Xu, Meiqi; Yi, Zhenxin; Zhang, Jianguo","2-Imidazolidone metal complexes: increased hydrogen bonds and fused ring ligand ratio to be insensitive","CrystEngComm","2023","25","46","6449","6454","10.1039/D3CE00891F","","","0.71073","MoKα","","0.0838","0.078","","","0.211","0.2183","","","","","","1.092","","","","has coordinates,has disorder","288785","2024-01-06","07:56:31",""
"7247599","11.3155","0.0001","17.9907","0.0002","20.6727","0.0002","90","","98.456","0.001","90","","4162.67","0.07","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C49 H47 F6 Fe -","- C46 H40 F6 Fe -","- C184 H160 F24 Fe4 -","4","1","","Akram, Sehrish; Mehmood, Arshad; Noureen, Sajida; Ahmed, Maqsood","In the pursuit of a ‘disappearing’ anhydrous phase of the antipyrine–dipicolinic acid (ANT–DPA) co-crystal: explained through relative stability and charge density analyses","CrystEngComm","2023","25","46","6478","6488","10.1039/D3CE00591G","","x-ray","1.54184","CuKα","","0.0365","0.035","","","0.0968","0.0983","","","","","","1.051","","","","has coordinates,has disorder","288786","2024-01-06","07:56:39",""
"7247600","18.4087","0.0001","8.0394","0.0007","23.69","0.002","90","","91.284","0.004","90","","3505.1","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H19 N3 O6 -","- C18 H19 N3 O6 -","- C144 H152 N24 O48 -","8","1","","Akram, Sehrish; Mehmood, Arshad; Noureen, Sajida; Ahmed, Maqsood","In the pursuit of a ‘disappearing’ anhydrous phase of the antipyrine–dipicolinic acid (ANT–DPA) co-crystal: explained through relative stability and charge density analyses","CrystEngComm","2023","25","46","6478","6488","10.1039/D3CE00591G","","x-ray","0.71073","MoKα","","0.0798","0.0569","","","0.0896","0.0918","","","","","","0.646","","","","has coordinates","288786","2024-01-06","07:56:40",""
"7247601","6.447","0.0015","10.416","0.003","11.367","0.003","82.665","0.01","87.026","0.01","72.301","0.009","721.2","0.3","298","2","298","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H44 N2 O2 -","- C30 H44 N2 O2 -","- C30 H44 N2 O2 -","1","0.5","","Manoharan, Deepak; Ahmad, Shamim; Tothadi, Srinu; Emmerling, Franziska; Bhattacharya, Biswajit; Ghosh, Soumyajit","Linker size dependent mechanical properties of di-imine based molecular crystals","CrystEngComm","2023","25","46","6416","6423","10.1039/D3CE00928A","","","0.71073","MoKα","","0.1117","0.0645","","","0.1514","0.177","","","","","","1.028","","","","has coordinates","288784","2024-01-06","07:56:24",""
"7247602","10.1433","0.0012","11.0854","0.0013","15.0978","0.0018","87.297","0.005","78.914","0.005","89.006","0.005","1664","0.3","301","","301","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H52 N2 O2 -","- C34 H52 N2 O2 -","- C68 H104 N4 O4 -","2","1","","Manoharan, Deepak; Ahmad, Shamim; Tothadi, Srinu; Emmerling, Franziska; Bhattacharya, Biswajit; Ghosh, Soumyajit","Linker size dependent mechanical properties of di-imine based molecular crystals","CrystEngComm","2023","25","46","6416","6423","10.1039/D3CE00928A","","","0.71073","MoKα","","0.1377","0.0888","","","0.2633","0.3116","","","","","","1.033","","","","has coordinates","288784","2024-01-06","07:56:24",""
"7247603","18.8769","0.0008","6.1559","0.0002","26.9215","0.0011","90","","106.511","0.003","90","","2999.4","0.2","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H48 N2 O2 -","- C32 H48 N2 O2 -","- C128 H192 N8 O8 -","4","0.5","","Manoharan, Deepak; Ahmad, Shamim; Tothadi, Srinu; Emmerling, Franziska; Bhattacharya, Biswajit; Ghosh, Soumyajit","Linker size dependent mechanical properties of di-imine based molecular crystals","CrystEngComm","2023","25","46","6416","6423","10.1039/D3CE00928A","","","0.71073","MoKα","","0.0583","0.0512","","","0.1326","0.1405","","","","","","1.04","","","","has coordinates","288784","2024-01-06","07:56:24",""
"7247604","10.9128","0.0012","10.0522","0.0009","29.338","0.003","90","","90.55","0.004","90","","3218.2","0.6","298","2","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H50 N2 O2 -","- C33 H50 N2 O2 -","- C132 H200 N8 O8 -","4","1","","Manoharan, Deepak; Ahmad, Shamim; Tothadi, Srinu; Emmerling, Franziska; Bhattacharya, Biswajit; Ghosh, Soumyajit","Linker size dependent mechanical properties of di-imine based molecular crystals","CrystEngComm","2023","25","46","6416","6423","10.1039/D3CE00928A","","","0.71073","MoKα","","0.1355","0.0868","","","0.2487","0.3022","","","","","","1.031","","","","has coordinates,has disorder","288784","2024-01-06","07:56:24",""
"7247616","22.3235","0.0011","11.7383","0.0005","7.558","0.0004","90","","92.989","0.002","90","","1977.8","0.17","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N2 -","- C12 H10 N2 -","- C96 H80 N16 -","8","2","","Baig, K. Mohamed Yusuf; Kole, Goutam Kumar","Silver(i) coordination polymers of trans-5-styrylpyrimidine – from structural diversity to solid-state reactivity under sunlight","CrystEngComm","2023","25","44","6204","6214","10.1039/D3CE00756A","","","0.71073","MoKα","","0.0541","0.0433","","","0.1181","0.1273","","","","","","1.064","","","","has coordinates","288084","2023-12-06","15:07:29",""
"7247617","7.799","0.002","18.295","0.004","8.984","0.002","90","","93.931","0.014","90","","1278.8","0.5","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 Ag N3 O4 -","- C12 H12 Ag N3 O4 -","- C48 H48 Ag4 N12 O16 -","4","1","","Baig, K. Mohamed Yusuf; Kole, Goutam Kumar","Silver(i) coordination polymers of trans-5-styrylpyrimidine – from structural diversity to solid-state reactivity under sunlight","CrystEngComm","2023","25","44","6204","6214","10.1039/D3CE00756A","","","0.71073","MoKα","","0.0274","0.0254","","","0.0647","0.066","","","","","","1.098","","","","has coordinates","288084","2023-12-06","15:08:46",""
"7247618","7.7806","0.0015","18.88","0.005","9.48","0.003","90","","96.15","0.014","90","","1384.6","0.6","295","2","295","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 Ag B F4 N2 O -","- C12 H12 Ag B F4 N2 O -","- C48 H48 Ag4 B4 F16 N8 O4 -","4","1","","Baig, K. Mohamed Yusuf; Kole, Goutam Kumar","Silver(i) coordination polymers of trans-5-styrylpyrimidine – from structural diversity to solid-state reactivity under sunlight","CrystEngComm","2023","25","44","6204","6214","10.1039/D3CE00756A","","","0.71073","MoKα","","0.0402","0.0333","","","0.0926","0.0958","","","","","","1.06","","","","has coordinates","288084","2023-12-06","15:09:16",""
"7247619","12.102","0.004","6.6333","0.0011","17.915","0.004","90","","90","","90","","1438.1","0.6","295","2","295","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C12 H10 Ag F6 N2 Sb -","- C12 H10 Ag F5.9998 N2 Sb -","- C48 H40 Ag4 F23.9992 N8 Sb4 -","4","0.5","","Baig, K. Mohamed Yusuf; Kole, Goutam Kumar","Silver(i) coordination polymers of trans-5-styrylpyrimidine – from structural diversity to solid-state reactivity under sunlight","CrystEngComm","2023","25","44","6204","6214","10.1039/D3CE00756A","","","0.71073","MoKα","","0.0226","0.0197","","","0.0502","0.0509","","","","","","1.123","","","","has coordinates,has disorder","288084","2023-12-06","15:09:34",""
"7247620","36.304","0.01","5.3887","0.0009","15.575","0.004","90","","110.695","0.016","90","","2850.4","1.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H10 Ag F3 N2 O2 -","- C14 H10 Ag F3 N2 O2 -","- C112 H80 Ag8 F24 N16 O16 -","8","1","","Baig, K. Mohamed Yusuf; Kole, Goutam Kumar","Silver(i) coordination polymers of trans-5-styrylpyrimidine – from structural diversity to solid-state reactivity under sunlight","CrystEngComm","2023","25","44","6204","6214","10.1039/D3CE00756A","","","0.71073","MoKα","","0.0292","0.0262","","","0.0661","0.0686","","","","","","1.056","","","","has coordinates,has disorder","288084","2023-12-06","15:09:46",""
"7247621","6.6106","0.0009","17.709","0.002","12.3217","0.0017","90","","94.626","0.004","90","","1437.8","0.3","295","2","295","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 Ag F3 N2 O3 S -","- C13 H10 Ag F3 N2 O3 S -","- C52 H40 Ag4 F12 N8 O12 S4 -","4","1","","Baig, K. Mohamed Yusuf; Kole, Goutam Kumar","Silver(i) coordination polymers of trans-5-styrylpyrimidine – from structural diversity to solid-state reactivity under sunlight","CrystEngComm","2023","25","44","6204","6214","10.1039/D3CE00756A","","","0.71073","MoKα","","0.0349","0.0303","","","0.0729","0.0742","","","","","","1.106","","","","has coordinates,has disorder","288084","2023-12-06","15:10:01",""
"7247622","19.0792","0.0008","7.8359","0.0004","19.193","0.0009","90","","94.076","0.001","90","","2862.1","0.2","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H30 N8 O7 -","- C28 H30 N8 O7 -","- C112 H120 N32 O28 -","4","1","","Wood, Oskar G.; Jones, Leanne; Hawes, Chris S.","Supporting coordination through hydrogen bonding in lanthanide complexes of 7-azaindole-N-oxide","CrystEngComm","2023","25","45","6371","6378","10.1039/D3CE00985H","","","0.71073","MoKα","","0.0821","0.0501","","","0.1005","0.1131","","","","","","1.042","","","","has coordinates","288809","2024-01-06","08:06:07",""
"7247623","13.2616","0.0004","16.7698","0.0006","16.9393","0.0006","118.495","0.001","93.043","0.001","103.059","0.001","3167.76","0.19","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C56 H50 Cl6 N16 O9 Yb2 -","- C56 H50 Cl6 N16 O9 Yb2 -","- C112 H100 Cl12 N32 O18 Yb4 -","2","1","","Wood, Oskar G.; Jones, Leanne; Hawes, Chris S.","Supporting coordination through hydrogen bonding in lanthanide complexes of 7-azaindole-N-oxide","CrystEngComm","2023","25","45","6371","6378","10.1039/D3CE00985H","","","0.71073","MoKα","","0.0832","0.0446","","","0.0743","0.0852","","","","","","1.036","","","","has coordinates","288809","2024-01-06","08:06:10",""
"7247624","8.6982","0.0005","11.0452","0.0006","13.7542","0.0008","90","","106.867","0.002","90","","1264.57","0.12","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 Cu N4 O2 -","- C14 H10 Cu N4 O2 -","- C56 H40 Cu4 N16 O8 -","4","1","","Wood, Oskar G.; Jones, Leanne; Hawes, Chris S.","Supporting coordination through hydrogen bonding in lanthanide complexes of 7-azaindole-N-oxide","CrystEngComm","2023","25","45","6371","6378","10.1039/D3CE00985H","","","0.71073","MoKα","","0.0684","0.0403","","","0.0788","0.0892","","","","","","1.029","","","","has coordinates","288809","2024-01-06","08:06:20",""
"7247625","8.4097","0.0003","10.7232","0.0004","13.8568","0.0005","79.116","0.001","80.131","0.001","79.915","0.001","1195.72","0.08","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H36 Cl6 Eu2 N12 O6 -","- C42 H36 Cl6 Eu2 N12 O6 -","- C42 H36 Cl6 Eu2 N12 O6 -","1","0.5","","Wood, Oskar G.; Jones, Leanne; Hawes, Chris S.","Supporting coordination through hydrogen bonding in lanthanide complexes of 7-azaindole-N-oxide","CrystEngComm","2023","25","45","6371","6378","10.1039/D3CE00985H","","","0.71073","MoKα","","0.0454","0.0331","","","0.0603","0.0644","","","","","","1.078","","","","has coordinates,has disorder","288809","2024-01-06","08:06:23",""
"7247626","8.5699","0.0004","11.7452","0.0006","14.2218","0.0007","78.654","0.001","77.154","0.001","70.806","0.001","1306.15","0.11","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 Eu N9 O12 -","- C21 H18 Eu N9 O12 -","- C42 H36 Eu2 N18 O24 -","2","1","","Wood, Oskar G.; Jones, Leanne; Hawes, Chris S.","Supporting coordination through hydrogen bonding in lanthanide complexes of 7-azaindole-N-oxide","CrystEngComm","2023","25","45","6371","6378","10.1039/D3CE00985H","","","0.71073","MoKα","","0.0169","0.0159","","","0.0378","0.0381","","","","","","1.169","","","","has coordinates","288809","2024-01-06","08:06:23",""
"7247627","8.5744","0.0003","11.7399","0.0004","14.2153","0.0005","78.681","0.001","77.157","0.001","70.824","0.001","1305.88","0.08","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 Gd N9 O12 -","- C21 H18 Gd N9 O12 -","- C42 H36 Gd2 N18 O24 -","2","1","","Wood, Oskar G.; Jones, Leanne; Hawes, Chris S.","Supporting coordination through hydrogen bonding in lanthanide complexes of 7-azaindole-N-oxide","CrystEngComm","2023","25","45","6371","6378","10.1039/D3CE00985H","","","0.71073","MoKα","","0.0192","0.0174","","","0.0379","0.0384","","","","","","1.114","","","","has coordinates","288809","2024-01-06","08:06:24",""
"7247628","12.4309","0.0006","10.4129","0.0005","13.1342","0.0006","90","","104.761","0.002","90","","1644","0.14","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Cu2 N4 O4 -","- C16 H16 Cu2 N4 O4 -","- C64 H64 Cu8 N16 O16 -","4","1","","Wood, Oskar G.; Jones, Leanne; Hawes, Chris S.","Supporting coordination through hydrogen bonding in lanthanide complexes of 7-azaindole-N-oxide","CrystEngComm","2023","25","45","6371","6378","10.1039/D3CE00985H","","","0.71073","MoKα","","0.1063","0.0632","","","0.0991","0.1104","","","","","","1.102","","","","has coordinates","288809","2024-01-06","08:06:24",""
"7247629","7.7383","0.0004","11.5787","0.0007","14.7269","0.0012","90","","90","","90","","1319.52","0.15","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H8 Br3 N Pb S -","- C8 H8 Br3 N Pb S -","- C32 H32 Br12 N4 Pb4 S4 -","4","1","","Gao, Cheng-Cheng; Tang, Xue-Na; Miao, Jing-Ling; Li, Yu; Li, Cuncheng; Liu, Guang-Ning","Regulating the crystal and electronic structures and optical properties of hybrid bromoplumbates with alkylated N, S- or P-containing aromatic cations","CrystEngComm","2023","25","47","6556","6567","10.1039/D3CE00931A","","x-ray","0.71073","MoKα","","0.0852","0.0491","","","0.1027","0.1111","","","","","","0.916","","","","has coordinates","288789","2024-01-06","07:57:05",""
"7247630","17.703","0.001","7.827","0.0003","20.1031","0.0011","90","","90","","90","","2785.5","0.2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C9 H10 Br3 N Pb S -","- C9 H10 Br3 N Pb S -","- C72 H80 Br24 N8 Pb8 S8 -","8","1","","Gao, Cheng-Cheng; Tang, Xue-Na; Miao, Jing-Ling; Li, Yu; Li, Cuncheng; Liu, Guang-Ning","Regulating the crystal and electronic structures and optical properties of hybrid bromoplumbates with alkylated N, S- or P-containing aromatic cations","CrystEngComm","2023","25","47","6556","6567","10.1039/D3CE00931A","","x-ray","0.71073","MoKα","","0.1258","0.0667","","","0.1294","0.1604","","","","","","0.911","","","","has coordinates","288789","2024-01-06","07:57:05",""
"7247631","22.601","0.002","7.8074","0.0007","24.284","0.002","90","","90","","90","","4285","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H18 Br3 P Pb -","- C19 H18 Br3 P Pb -","- C152 H144 Br24 P8 Pb8 -","8","1","","Gao, Cheng-Cheng; Tang, Xue-Na; Miao, Jing-Ling; Li, Yu; Li, Cuncheng; Liu, Guang-Ning","Regulating the crystal and electronic structures and optical properties of hybrid bromoplumbates with alkylated N, S- or P-containing aromatic cations","CrystEngComm","2023","25","47","6556","6567","10.1039/D3CE00931A","","x-ray","0.71073","MoKα","","0.1174","0.0708","","","0.1525","0.1775","","","","","","1.044","","","","has coordinates","288789","2024-01-06","07:57:05",""
"7247632","22.297","0.0012","7.948","0.0004","25.2706","0.0011","90","","90","","90","","4478.4","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H20 Br3 P Pb -","- C20 H20 Br3 P Pb -","- C160 H160 Br24 P8 Pb8 -","8","1","","Gao, Cheng-Cheng; Tang, Xue-Na; Miao, Jing-Ling; Li, Yu; Li, Cuncheng; Liu, Guang-Ning","Regulating the crystal and electronic structures and optical properties of hybrid bromoplumbates with alkylated N, S- or P-containing aromatic cations","CrystEngComm","2023","25","47","6556","6567","10.1039/D3CE00931A","","x-ray","0.71073","MoKα","","0.1182","0.0499","","","0.0769","0.1022","","","","","","0.996","","","","has coordinates","288789","2024-01-06","07:57:05",""
"7247633","8.8791","0.0004","21.8322","0.0014","17.9977","0.001","90","","91.913","0.005","90","","3486.9","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 Br8 N2 Pb3 S2 -","- C20 H24 Br8 N2 Pb3 S2 -","- C80 H96 Br32 N8 Pb12 S8 -","4","1","","Gao, Cheng-Cheng; Tang, Xue-Na; Miao, Jing-Ling; Li, Yu; Li, Cuncheng; Liu, Guang-Ning","Regulating the crystal and electronic structures and optical properties of hybrid bromoplumbates with alkylated N, S- or P-containing aromatic cations","CrystEngComm","2023","25","47","6556","6567","10.1039/D3CE00931A","","x-ray","0.71073","MoKα","","0.1354","0.0707","","","0.1343","0.1591","","","","","","0.88","","","","has coordinates,has disorder","288789","2024-01-06","07:57:05",""
"7247634","13.3422","0.0012","8.1688","0.0008","21.4738","0.0018","90","","95.977","0.008","90","","2327.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 Br3 P Pb -","- C21 H22 Br3 P Pb -","- C84 H88 Br12 P4 Pb4 -","4","1","","Gao, Cheng-Cheng; Tang, Xue-Na; Miao, Jing-Ling; Li, Yu; Li, Cuncheng; Liu, Guang-Ning","Regulating the crystal and electronic structures and optical properties of hybrid bromoplumbates with alkylated N, S- or P-containing aromatic cations","CrystEngComm","2023","25","47","6556","6567","10.1039/D3CE00931A","","x-ray","0.71073","MoKα","","0.0686","0.037","","","0.0581","0.0673","","","","","","0.977","","","","has coordinates","288789","2024-01-06","07:57:05",""
"7247635","15.6685","0.0007","3.7842","0.0001","10.8705","0.0005","90","","108.658","0.005","90","","610.67","0.05","150","2","150.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,5-di(pyridin-4-yl)thiazolo[5,4-d]thiazole","","- C14 H8 N4 S2 -","- C14 H8 N4 S2 -","- C28 H16 N8 S4 -","2","0.5","","Rizzuto, Felix J.; Pal, Shyam C.; Kearns, Eleanor R.; Hua, Carol; Solomon, Marcello B.; Doheny, Patrick W.; Faust, Thomas B.; Kepert, Cameron J.; Das, Madhab C.; D'Alessandro, Deanna M.","The physical and electronic properties of Metal–Organic Frameworks containing dipyridylthiazolo[5,4-d]thiazole","CrystEngComm","2023","25","46","6434","6440","10.1039/D3CE00541K","","","1.54178","CuKα","","0.0353","0.0345","","","0.0947","0.0952","","","","","","1.093","","","","has coordinates","288781","2024-01-06","07:55:56",""
"7247636","8.4275","0.0006","6.304","0.0004","11.748","0.0007","90","","93.544","0.006","90","","622.94","0.07","150.15","","150.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 N4 S2 -","- C14 H8 N4 S2 -","- C28 H16 N8 S4 -","2","0.5","","Rizzuto, Felix J.; Pal, Shyam C.; Kearns, Eleanor R.; Hua, Carol; Solomon, Marcello B.; Doheny, Patrick W.; Faust, Thomas B.; Kepert, Cameron J.; Das, Madhab C.; D'Alessandro, Deanna M.","The physical and electronic properties of Metal–Organic Frameworks containing dipyridylthiazolo[5,4-d]thiazole","CrystEngComm","2023","25","46","6434","6440","10.1039/D3CE00541K","","","0.71073","MoKα","","0.0531","0.0418","","","0.1004","0.1072","","","","","","1.077","","","","has coordinates","288781","2024-01-06","07:55:56",""
"7247637","14.728","0.007","15.36","0.05","15.369","0.008","93.63","0.07","113.88","0.04","91.64","0.05","3167","11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H40 N12 O8 S6 Zn2 -","- C70 H40 N12 O8 S6 Zn2 -","- C140 H80 N24 O16 S12 Zn4 -","2","1","","Rizzuto, Felix J.; Pal, Shyam C.; Kearns, Eleanor R.; Hua, Carol; Solomon, Marcello B.; Doheny, Patrick W.; Faust, Thomas B.; Kepert, Cameron J.; Das, Madhab C.; D'Alessandro, Deanna M.","The physical and electronic properties of Metal–Organic Frameworks containing dipyridylthiazolo[5,4-d]thiazole","CrystEngComm","2023","25","46","6434","6440","10.1039/D3CE00541K","","","0.71073","MoKα","","0.098","0.0913","","","0.2451","0.2485","","","","","","1.166","","","","has coordinates","288781","2024-01-06","07:55:56",""
"7247638","17.1947","0.0002","18.5446","0.0002","15.7154","0.0002","90","","100.974","0.001","90","","4919.52","0.1","150","2","150.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H34 N10 O10 S6 Zn2 -","- C46 H34 N10 O10 S6 Zn2 -","- C184 H136 N40 O40 S24 Zn8 -","4","1","","Rizzuto, Felix J.; Pal, Shyam C.; Kearns, Eleanor R.; Hua, Carol; Solomon, Marcello B.; Doheny, Patrick W.; Faust, Thomas B.; Kepert, Cameron J.; Das, Madhab C.; D'Alessandro, Deanna M.","The physical and electronic properties of Metal–Organic Frameworks containing dipyridylthiazolo[5,4-d]thiazole","CrystEngComm","2023","25","46","6434","6440","10.1039/D3CE00541K","","","1.54178","CuKα","","0.0819","0.073","","","0.1754","0.1796","","","","","","1.076","","","","has coordinates","288781","2024-01-06","07:55:56",""
"7247639","32.53","0.02","8.664","0.003","22.1","0.02","90","","96.56","0.02","90","","6188","7","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H16 N4 O5 S2 Zn -","- C28 H16 N4 O5 S2 Zn -","- C224 H128 N32 O40 S16 Zn8 -","8","1","","Rizzuto, Felix J.; Pal, Shyam C.; Kearns, Eleanor R.; Hua, Carol; Solomon, Marcello B.; Doheny, Patrick W.; Faust, Thomas B.; Kepert, Cameron J.; Das, Madhab C.; D'Alessandro, Deanna M.","The physical and electronic properties of Metal–Organic Frameworks containing dipyridylthiazolo[5,4-d]thiazole","CrystEngComm","2023","25","46","6434","6440","10.1039/D3CE00541K","","","0.71073","MoKα","","0.0367","0.0316","","","0.0838","0.0859","","","","","","1.058","","","","has coordinates","288781","2024-01-06","07:55:56",""
"7247640","4.6413","0.0003","16.1899","0.0014","8.557","0.004","90","","91.691","0.013","90","","642.7","0.3","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Trifluoroethanol","2,2,2-Trifluoroethanol","","- C2 D3 F3 O -","- C2 D3 F3 O -","- C16 D24 F24 O8 -","8","2","","Barnett, S. A.; Bull, C. L.; Funnell, N. P.; Allan, D. R.","The rich structural phase behaviour of 2,2,2-trifluoroethanol","CrystEngComm","2023","25","45","6291","6302","10.1039/D3CE00737E","","","0.4859","Synchrotron","","0.1064","0.0693","","","0.1807","0.2122","","","","","","1.06","","","","has coordinates","288810","2024-01-06","08:06:33",""
"7247641","4.654","0.0003","16.259","0.0018","8.577","0.004","90","","91.615","0.013","90","","648.8","0.3","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Trifluoroethanol","2,2,2-Trifluoroethanol","","- C2 D3 F3 O -","- C2 D3 F3 O -","- C16 D24 F24 O8 -","8","2","","Barnett, S. A.; Bull, C. L.; Funnell, N. P.; Allan, D. R.","The rich structural phase behaviour of 2,2,2-trifluoroethanol","CrystEngComm","2023","25","45","6291","6302","10.1039/D3CE00737E","","","0.4859","Synchrotron","","0.1012","0.0781","","","0.2013","0.2327","","","","","","1.082","","","","has coordinates","288810","2024-01-06","08:06:36",""
"7247642","4.863","0.0004","33.054","0.007","8.8694","0.0014","90","","91.519","0.009","90","","1425.2","0.4","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Trifluoroethanol","2,2,2-Trifluoroethanol-D","","- C2 D3 F3 O -","- C2 D3 F3 O -","- C32 D48 F48 O16 -","16","4","","Barnett, S. A.; Bull, C. L.; Funnell, N. P.; Allan, D. R.","The rich structural phase behaviour of 2,2,2-trifluoroethanol","CrystEngComm","2023","25","45","6291","6302","10.1039/D3CE00737E","","","0.4859","Synchrotron","","0.1288","0.0556","","","0.1608","0.2279","","","","","","1.027","","","","has coordinates","288810","2024-01-06","08:06:36",""
"7247643","7.712","0.0015","7.481","0.0015","11.062","0.002","90","","108.44","0.03","90","","605.4","0.2","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","N3-protonated Cytidine nitrate","","- C9 H14 N4 O8 -","- C9 H14 N4 O8 -","- C18 H28 N8 O16 -","2","1","","Wu, Qiong; Chai, Yingying; Huang, Ridong; Chen, Hai; He, Yang","A linear CH±-NO3− base pair motif promoted by AgNO3 mediated proton transfer between guanosine and cytidine","CrystEngComm","2023","25","47","6549","6555","10.1039/D3CE00916E","","","0.71073","MoKα","","0.0314","0.0311","","","0.0838","0.0843","","","","","","1.075","","","","has coordinates","288794","2024-01-06","07:59:31",""
"7247644","4.6969","0.0003","15.1122","0.0011","17.3305","0.0012","90","","90","","90","","1230.13","0.15","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Cytidine and silver nitrate","","- C9 H13 Ag N4 O8 -","- C9 H13 Ag N4 O8 -","- C36 H52 Ag4 N16 O32 -","4","1","","Wu, Qiong; Chai, Yingying; Huang, Ridong; Chen, Hai; He, Yang","A linear CH±-NO3− base pair motif promoted by AgNO3 mediated proton transfer between guanosine and cytidine","CrystEngComm","2023","25","47","6549","6555","10.1039/D3CE00916E","","","0.72929","synchrotron","","0.0372","0.0358","","","0.1124","0.1146","","","","","","1.162","","","","has coordinates","288794","2024-01-06","07:59:31",""
"7247645","10.0114","0.0003","16.1179","0.0005","11.3898","0.0004","90","","120.466","0.002","90","","1584.13","0.09","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H38 Co F6 N4 O6 -","- C24 H38 Co F6 N4 O6 -","- C48 H76 Co2 F12 N8 O12 -","2","0.5","","Ovcharenko, Victor; Fursova, Elena; Letyagin, Gleb; Morozov, Vitaly; Bogomyakov, Artem; Romanenko, Galina","Alternating [ML2(MeOH)2] and [ML2(EtOH)2] layers in low-temperature ferromagnets [ML2(MeOH)2][ML2(EtOH)2] (M = CoII, NiII or CoII0.5NiII0.5)","CrystEngComm","2023","25","44","6194","6203","10.1039/D3CE00912B","","","0.71073","MoKα","","0.0705","0.0384","","","0.0787","0.0856","","","","","","0.922","","","","has coordinates,has disorder","288775","2024-01-06","07:54:10",""
"7247646","9.9328","0.0006","15.9853","0.0011","11.4746","0.0007","90","","120.609","0.003","90","","1568.06","0.18","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H38 F6 N4 Ni O6 -","- C24 H38 F6 N4 Ni O6 -","- C48 H76 F12 N8 Ni2 O12 -","2","0.5","","Ovcharenko, Victor; Fursova, Elena; Letyagin, Gleb; Morozov, Vitaly; Bogomyakov, Artem; Romanenko, Galina","Alternating [ML2(MeOH)2] and [ML2(EtOH)2] layers in low-temperature ferromagnets [ML2(MeOH)2][ML2(EtOH)2] (M = CoII, NiII or CoII0.5NiII0.5)","CrystEngComm","2023","25","44","6194","6203","10.1039/D3CE00912B","","","0.71073","MoKα","","0.0789","0.0428","","","0.0898","0.0975","","","","","","0.941","","","","has coordinates","288775","2024-01-06","07:54:10",""
"7247647","8.9504","0.0011","15.8017","0.0018","11.5358","0.0017","90","","118.8","0.004","90","","1429.7","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H34 F6 N4 Ni O6 -","- C22 H34 F6 N4 Ni O6 -","- C44 H68 F12 N8 Ni2 O12 -","2","0.5","","Ovcharenko, Victor; Fursova, Elena; Letyagin, Gleb; Morozov, Vitaly; Bogomyakov, Artem; Romanenko, Galina","Alternating [ML2(MeOH)2] and [ML2(EtOH)2] layers in low-temperature ferromagnets [ML2(MeOH)2][ML2(EtOH)2] (M = CoII, NiII or CoII0.5NiII0.5)","CrystEngComm","2023","25","44","6194","6203","10.1039/D3CE00912B","","","1.54178","CuKα","","0.033","0.032","","","0.0903","0.0915","","","","","","1.032","","","","has coordinates","288775","2024-01-06","07:54:10",""
"7247648","18.333","0.004","15.836","0.003","11.701","0.002","90","","120.036","0.008","90","","2940.9","1","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H36 Co0.5 F6 N4 Ni0.5 O6 -","- C23 H36 Co0.5 F6 N4 Ni0.5 O6 -","- C92 H144 Co2 F24 N16 Ni2 O24 -","4","1","","Ovcharenko, Victor; Fursova, Elena; Letyagin, Gleb; Morozov, Vitaly; Bogomyakov, Artem; Romanenko, Galina","Alternating [ML2(MeOH)2] and [ML2(EtOH)2] layers in low-temperature ferromagnets [ML2(MeOH)2][ML2(EtOH)2] (M = CoII, NiII or CoII0.5NiII0.5)","CrystEngComm","2023","25","44","6194","6203","10.1039/D3CE00912B","","","0.71073","MoKα","","0.1951","0.0592","","","0.1539","0.1958","","","","","","0.837","","","","has coordinates,has disorder","288775","2024-01-06","07:54:10",""
"7247649","18.514","0.004","15.792","0.003","11.787","0.002","90","","120.86","0.03","90","","2958.3","1.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H36 Co F6 N4 O6 -","- C23 H36 Co F6 N4 O6 -","- C92 H144 Co4 F24 N16 O24 -","4","1","","Ovcharenko, Victor; Fursova, Elena; Letyagin, Gleb; Morozov, Vitaly; Bogomyakov, Artem; Romanenko, Galina","Alternating [ML2(MeOH)2] and [ML2(EtOH)2] layers in low-temperature ferromagnets [ML2(MeOH)2][ML2(EtOH)2] (M = CoII, NiII or CoII0.5NiII0.5)","CrystEngComm","2023","25","44","6194","6203","10.1039/D3CE00912B","","","0.71073","MoKα","","0.1077","0.0427","","","0.1222","0.1678","","","","","","0.698","","","","has coordinates","288775","2024-01-06","07:54:10",""
"7247650","18.564","0.004","15.699","0.003","11.768","0.002","90","","120.67","0.03","90","","2949.9","1.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H36 F6 N4 Ni O6 -","- C23 H36 F6 N4 Ni O6 -","- C92 H144 F24 N16 Ni4 O24 -","4","1","","Ovcharenko, Victor; Fursova, Elena; Letyagin, Gleb; Morozov, Vitaly; Bogomyakov, Artem; Romanenko, Galina","Alternating [ML2(MeOH)2] and [ML2(EtOH)2] layers in low-temperature ferromagnets [ML2(MeOH)2][ML2(EtOH)2] (M = CoII, NiII or CoII0.5NiII0.5)","CrystEngComm","2023","25","44","6194","6203","10.1039/D3CE00912B","","","0.71073","MoKα","","0.1172","0.0441","","","0.1031","0.1341","","","","","","0.872","","","","has coordinates","288775","2024-01-06","07:54:10",""
"7247665","71.41","0.1","8.12","0.011","9.297","0.014","90","","91.38","0.04","90","","5389","13","160.15","","160.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Tin(IV) dodecanethiolate","","- C48 H100 S4 Sn -","- C48 H100 S4 Sn -","- C192 H400 S16 Sn4 -","4","1","","Wang, Tingting; Wan, Yixin; Yu, Nan; Gu, Kewei; Lu, Zhiwei; Wang, Junli","Long-chain tin(iv) alkanethiolates (Sn(SCnH2n+1)4, n ≥ 12) with the coexistence of trans and gauche S–C bonds: a class of lamellar van der Waals molecular crystals","CrystEngComm","2023","25","41","5782","5786","10.1039/D3CE00818E","","","1.54178","CuKα","","0.2569","0.2477","","","0.5687","0.5722","","","","","","1.156","","","","has coordinates","287254","2023-11-04","13:21:02",""
"7247666","81.184","0.004","7.8878","0.0004","9.253","0.0005","90","","91.117","0.001","90","","5924.2","0.5","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Tin(IV) tetradecanethiolate","","- C56 H116 S4 Sn -","- C56 H116 S4 Sn -","- C224 H464 S16 Sn4 -","4","1","","Wang, Tingting; Wan, Yixin; Yu, Nan; Gu, Kewei; Lu, Zhiwei; Wang, Junli","Long-chain tin(iv) alkanethiolates (Sn(SCnH2n+1)4, n ≥ 12) with the coexistence of trans and gauche S–C bonds: a class of lamellar van der Waals molecular crystals","CrystEngComm","2023","25","41","5782","5786","10.1039/D3CE00818E","","","1.54178","CuKα","","0.0639","0.062","","","0.1648","0.1673","","","","","","1.186","","","","has coordinates","287254","2023-11-04","13:21:13",""
"7247667","45.6447","0.0014","8.1335","0.0003","9.3171","0.0003","90","","92.133","0.003","90","","3456.6","0.2","100","","298","","","","","","","","","4","P 1 c 1","P -2yc","7","","Tin(IV) hexadecanethiolate","","- C64 H132 S4 Sn -","- C64 H132 S4 Sn -","- C128 H264 S8 Sn2 -","2","1","","Wang, Tingting; Wan, Yixin; Yu, Nan; Gu, Kewei; Lu, Zhiwei; Wang, Junli","Long-chain tin(iv) alkanethiolates (Sn(SCnH2n+1)4, n ≥ 12) with the coexistence of trans and gauche S–C bonds: a class of lamellar van der Waals molecular crystals","CrystEngComm","2023","25","41","5782","5786","10.1039/D3CE00818E","","x-ray","0.71073","MoKα","","0.0846","0.0809","","","0.2176","0.2241","","","","","","1.112","","","","has coordinates","287254","2023-11-04","13:21:22",""
"7247668","19.689","0.005","3.6236","0.0009","11.631","0.003","90","","102.953","0.003","90","","808.7","0.4","200","2","200","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C6 H4 Cl Cu2 N5 -","- C6 H4 Cl Cu2 N5 -","- C24 H16 Cl4 Cu8 N20 -","4","1","","Lu, Kuang-Lieh; Sie, Shu-Ling; Kamal, Surabhi; Zong-Zhan, Lu; Wei, Ling-Fang; Luo, Tzuoo-Tsair; Liu, Yen-Hsiang; Chang, Chao-Wan; Chi, Kai-Ming","Fine-tuning synthesis of a novel CuI/CuII mixed-valence coordination polymer","CrystEngComm","2023","","","","","10.1039/D3CE01001E","","","0.71073","MoKα","","0.0305","0.024","","","0.0655","0.1018","","","","","","1.069","","","","has coordinates","287262","2023-11-04","23:58:13",""
"7247669","12.0666","0.0004","6.6817","0.0002","20.6749","0.0007","90","","107.439","0.002","90","","1590.3","0.09","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Cl Cu3 N10 O2 -","- C12 H10 Cl Cu3 N10 O2 -","- C48 H40 Cl4 Cu12 N40 O8 -","4","0.5","","Lu, Kuang-Lieh; Sie, Shu-Ling; Kamal, Surabhi; Zong-Zhan, Lu; Wei, Ling-Fang; Luo, Tzuoo-Tsair; Liu, Yen-Hsiang; Chang, Chao-Wan; Chi, Kai-Ming","Fine-tuning synthesis of a novel CuI/CuII mixed-valence coordination polymer","CrystEngComm","2023","","","","","10.1039/D3CE01001E","","","0.71073","MoKα","","0.048","0.0428","","","0.1129","0.1286","","","","","","1.136","","","","has coordinates","287262","2023-11-04","23:58:28",""
"7247681","13.8174","0.0003","13.8174","0.0003","26.1691","0.0012","90","","90","","120","","4326.9","0.2","170","","170","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C33 H24 In N3 O9 -","- C33 H24 In N3 O9 -","- C198 H144 In6 N18 O54 -","6","0.333333","","Wang, Rui; Jiang, Nan; Luo, Rong; Yu, Hai-Jun; Yin, Yi; Bi, Shuang-Yu; Zhang, Dong-Mei; Shao, Feng","Efficient detection of Al3+ and B4O72− over trigonal prism In(iii) complex","CrystEngComm","2023","25","47","6627","6634","10.1039/D3CE00904A","","","0.71073","MoKα","","0.0369","0.0299","","","0.0598","0.0674","","","","","","1.124","","","","has coordinates","288792","2024-01-06","07:57:35",""
"7247682","10.949","0.0005","11.9806","0.0007","12.0973","0.0006","112.946","0.005","106.988","0.004","99.066","0.004","1329.49","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H28 N8 Ni O11 -","- C22 H26.5 N8 Ni O10.75 -","- C44 H53 N16 Ni2 O21.5 -","2","1","","Roy, Subhadip; Mal, Susital; Banik, Rupak; Das, Subrata; Dlháň, Ľubor; Titiš, Ján; Boča, Roman; Kirillov, Alexander M.; Novikov, Alexander S.; Hazendonk, Paul; Butcher, Ray J.; Bauza, Antonio; Frontera, Antonio","Two isostructural complexes of Ni(ii) and Zn(ii) with violurate and pyridine: a detailed structural, theoretical, magnetic, and NMR investigation","CrystEngComm","2023","25","46","6503","6511","10.1039/D3CE00871A","","","1.54184","CuKα","","0.0379","0.0326","","","0.0824","0.0861","","","","","","1.046","","","","has coordinates,has disorder","288787","2024-01-06","07:56:47",""
"7247683","11.1064","0.0009","12.1528","0.0011","12.3032","0.0012","113.663","0.009","106.663","0.008","98.98","0.007","1385.8","0.3","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H28 N8 O11 Zn -","- C22 H26 N8 O10 Zn -","- C44 H52 N16 O20 Zn2 -","2","1","","Roy, Subhadip; Mal, Susital; Banik, Rupak; Das, Subrata; Dlháň, Ľubor; Titiš, Ján; Boča, Roman; Kirillov, Alexander M.; Novikov, Alexander S.; Hazendonk, Paul; Butcher, Ray J.; Bauza, Antonio; Frontera, Antonio","Two isostructural complexes of Ni(ii) and Zn(ii) with violurate and pyridine: a detailed structural, theoretical, magnetic, and NMR investigation","CrystEngComm","2023","25","46","6503","6511","10.1039/D3CE00871A","","","0.71073","MoKα","","0.1111","0.0638","","","0.1304","0.1583","","","","","","1.016","","","","has coordinates,has disorder","288787","2024-01-06","07:56:47",""
"7247685","16.1956","0.0004","7.178","0.0002","7.2126","0.0002","90","","100.097","0.002","90","","825.49","0.04","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H20 Cl4 Mn N2 O4 -","- C8 H20 Cl4 Mn N2 O4 -","- C16 H40 Cl8 Mn2 N4 O8 -","2","0.5","","Bothma, Shalene N.; Sheppard, Charles J.; Turnbull, Mark M.; Landee, Christopher P.; Rademeyer, Melanie","The odd–even effect in n-carboxyalkylammonium-containing organic–inorganic hybrids of Mn(ii) halides: structural and magnetic characterisation","CrystEngComm","2023","25","47","6568","6591","10.1039/D3CE00855J","","","0.71073","MoKα","","0.022","0.0199","","","0.0502","0.0512","","","","","","1.129","","","","has coordinates","288795","2024-01-06","07:59:40",""
"7247686","21.3208","0.0014","7.0794","0.0004","11.144","0.0006","90","","107.916","0.002","90","","1600.49","0.16","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H20 Cl4 Mn N2 O6 -","- C6 H20 Cl4 Mn N2 O6 -","- C24 H80 Cl16 Mn4 N8 O24 -","4","0.5","","Bothma, Shalene N.; Sheppard, Charles J.; Turnbull, Mark M.; Landee, Christopher P.; Rademeyer, Melanie","The odd–even effect in n-carboxyalkylammonium-containing organic–inorganic hybrids of Mn(ii) halides: structural and magnetic characterisation","CrystEngComm","2023","25","47","6568","6591","10.1039/D3CE00855J","","","0.71073","MoKα","","0.0206","0.0182","","","0.0458","0.0467","","","","","","1.16","","","","has coordinates","288795","2024-01-06","07:59:41",""
"7247687","5.9046","0.0004","7.8188","0.0005","11.5638","0.0007","91.74","0.002","99.872","0.002","104.651","0.002","507.33","0.06","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H28 Cl4 Mn N2 O6 -","- C10 H28 Cl4 Mn N2 O6 -","- C10 H28 Cl4 Mn N2 O6 -","1","0.5","","Bothma, Shalene N.; Sheppard, Charles J.; Turnbull, Mark M.; Landee, Christopher P.; Rademeyer, Melanie","The odd–even effect in n-carboxyalkylammonium-containing organic–inorganic hybrids of Mn(ii) halides: structural and magnetic characterisation","CrystEngComm","2023","25","47","6568","6591","10.1039/D3CE00855J","","","0.71073","MoKα","","0.0233","0.0192","","","0.0459","0.0476","","","","","","1.077","","","","has coordinates","288795","2024-01-06","07:59:41",""
"7247688","7.137","0.0001","7.2664","0.0001","19.6318","0.0004","85.695","0.002","87.366","0.002","88.66","0.002","1013.96","0.03","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H28 Cl4 Mn N2 O4 -","- C12 H28 Cl4 Mn N2 O4 -","- C24 H56 Cl8 Mn2 N4 O8 -","2","1","","Bothma, Shalene N.; Sheppard, Charles J.; Turnbull, Mark M.; Landee, Christopher P.; Rademeyer, Melanie","The odd–even effect in n-carboxyalkylammonium-containing organic–inorganic hybrids of Mn(ii) halides: structural and magnetic characterisation","CrystEngComm","2023","25","47","6568","6591","10.1039/D3CE00855J","","","0.71073","MoKα","","0.0288","0.0256","","","0.0616","0.0626","","","","","","1.11","","","","has coordinates","288795","2024-01-06","07:59:41",""
"7247700","10.5007","0.0001","19.5547","0.0002","8.6349","0.0001","90","","97.941","0.001","90","","1756.07","0.03","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[(4-Tertbutylphenylmethyl)sulfanyl]-5-(phenyl)-1,3,4-oxadiazole","","- C19 H20 N2 O S -","- C19 H20 N2 O S -","- C76 H80 N8 O4 S4 -","4","1","","Ahmed, Muhammad Naeem; Akhtar, Maheen; Andleeb, Hina; Bashir, Muhammad Adnan; Ibrahim, Mahmoud A. A.; Sidhom, Peter A.; Arshad, Ifzan; Tahir, Muhammad Nawaz; Gil, Diego M.; Gomila, Rosa M.; Frontera, Antonio","Crystal engineering with 1,3,4-oxadiazole derivatives: on the importance of CH⋯N and CH⋯π interactions","CrystEngComm","2023","25","48","6710","6718","10.1039/D3CE00944K","","","1.54184","CuKα","","0.0435","0.0405","","","0.1194","0.1225","","","","","","1.09","","","","has coordinates,has disorder","288800","2024-01-06","08:01:17",""
"7247701","10.4066","0.0001","24.9033","0.0002","8.8792","0.0001","90","","97.936","0.001","90","","2279.08","0.04","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[(4-Tertbutylphenylmethyl)sulfanyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole","","- C22 H26 N2 O4 S -","- C22 H26 N2 O4 S -","- C88 H104 N8 O16 S4 -","4","1","","Ahmed, Muhammad Naeem; Akhtar, Maheen; Andleeb, Hina; Bashir, Muhammad Adnan; Ibrahim, Mahmoud A. A.; Sidhom, Peter A.; Arshad, Ifzan; Tahir, Muhammad Nawaz; Gil, Diego M.; Gomila, Rosa M.; Frontera, Antonio","Crystal engineering with 1,3,4-oxadiazole derivatives: on the importance of CH⋯N and CH⋯π interactions","CrystEngComm","2023","25","48","6710","6718","10.1039/D3CE00944K","","","1.54184","CuKα","","0.048","0.0454","","","0.1342","0.1372","","","","","","1.053","","","","has coordinates,has disorder","288800","2024-01-06","08:01:17",""
"7247702","10.4819","0.0007","10.9273","0.0007","12.5634","0.0007","104.646","0.002","108.134","0.002","97.016","0.002","1291.14","0.14","172.99","","172.99","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N3 O12 Tb -","- C21 H27 N3 O12 Tb -","- C42 H54 N6 O24 Tb2 -","2","1","","Zhao, Yuming; Zhang, Rudie; Xiao, Cheng; Yue, Dan; Qin, Bowen; Liu, Jinhui; Wang, Zhenling; Fu, Yu","A dual-emission Tb-based MOF induced by ESPT for ratiometric ammonia sensing","CrystEngComm","2023","25","47","6528","6532","10.1039/D3CE00902E","","","0.71073","MoKα","","0.0207","0.019","","","0.0466","0.0479","","","","","","1.139","","","","has coordinates,has disorder","288790","2024-01-06","07:57:11",""
"7247705","30.238","0.006","30.238","0.006","15.131","0.005","90","","90","","120","","11981","5","296.15","","296.15","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C120 H72 Hf6 O32 -","- C120 H72 Hf6 O32 -","- C360 H216 Hf18 O96 -","3","0.166667","","Ma, Yali; Wang, Haitang; Wang, Hailong; Wang, Jiani; Jiang, Shuaiyu; Zheng, Qiang; Jia, Songyan; Li, Xue; Ma, Tianyi","A stable ultra-microporous hafnium-based metal–organic framework with high performance for CO2 adsorption and separation","CrystEngComm","2023","25","46","6489","6495","10.1039/D3CE01022H","","","0.71073","MoKα","","0.0765","0.0504","","","0.1386","0.1593","","","","","","0.974","","","","has coordinates","288782","2024-01-06","07:56:08",""
"7247709","35.975","0.0019","6.3852","0.0004","17.1343","0.0009","90","","104.246","0.003","90","","3814.8","0.4","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Tioconazole Hydrobromide Salt","","","- C16 H14 Br Cl3 N2 O S -","- C16 H14 Br Cl3 N2 O S -","- C128 H112 Br8 Cl24 N16 O8 S8 -","8","1","","Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.","Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes","CrystEngComm","2023","25","48","6758","6776","10.1039/D3CE00948C","","","1.54178","CuKα","","0.0675","0.0478","","","0.1178","0.1306","","","","","","1.04","","","","has coordinates","288801","2024-01-06","08:01:43",""
"7247710","7.7627","0.0005","11.9414","0.0006","14.9934","0.0007","110.029","0.005","96.939","0.005","103.891","0.005","1235.79","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Tiaconazole-2-Chloro-4-nitrobenzoic acid cocrystal","","","- C23 H16 Cl4 N3 O5 S -","- C23 H16 Cl4 N3 O5 S -","- C46 H32 Cl8 N6 O10 S2 -","2","1","","Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.","Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes","CrystEngComm","2023","25","48","6758","6776","10.1039/D3CE00948C","","","0.71073","MoKα","","0.1344","0.0874","","","0.2182","0.2393","","","","","","1.047","","","","has coordinates","288801","2024-01-06","08:01:57",""
"7247711","7.8551","0.0005","46.374","0.002","12.4658","0.0005","90","","90.468","0.004","90","","4540.8","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Tioconazole-fumerate salt hemihydrate","","","- C40 H36 Cl6 N4 O11 S2 -","- C40 H36 Cl6 N4 O11 S2 -","- C160 H144 Cl24 N16 O44 S8 -","4","1","","Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.","Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes","CrystEngComm","2023","25","48","6758","6776","10.1039/D3CE00948C","","","0.71073","MoKα","","0.2218","0.1029","","","0.2385","0.3075","","","","","","1.034","","","","has coordinates","288801","2024-01-06","08:01:57",""
"7247712","7.5563","0.0002","8.3022","0.0002","20.6593","0.0005","83.732","0.002","82.528","0.002","89.714","0.002","1277.3","0.06","100","2","100","2","","","","","","","","6","P 1","P 1","1","Tiaconazole-L-tartrate-L-tartaric acid (2:2:1)salt cocrystal","","","- C22 H22 Cl3 N2 O10 S -","- C22 H22 Cl3 N2 O10 S -","- C44 H44 Cl6 N4 O20 S2 -","2","2","","Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.","Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes","CrystEngComm","2023","25","48","6758","6776","10.1039/D3CE00948C","","","1.54184","CuKα","","0.0568","0.0532","","","0.1376","0.1402","","","","","","1.043","","","","has coordinates","288801","2024-01-06","08:01:57",""
"7247713","10.2522","0.0002","10.7638","0.0004","11.0528","0.0004","112.364","0.004","105.711","0.002","96.357","0.002","1054.06","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Tioconazole-oxalate-oxalic acid (1:0.5:0.5)salt cocrystal","","","- C18 H15 Cl3 N2 O5 S -","- C18 H15 Cl3 N2 O5 S -","- C36 H30 Cl6 N4 O10 S2 -","2","1","","Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.","Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes","CrystEngComm","2023","25","48","6758","6776","10.1039/D3CE00948C","","","1.54184","CuKα","","0.099","0.0918","","","0.2553","0.2641","","","","","","1.041","","","","has coordinates","288801","2024-01-06","08:01:57",""
"7247714","8.0219","0.0002","12.3226","0.0003","23.9838","0.0005","97.644","0.002","99.212","0.002","90.462","0.002","2318.4","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Tioconazole-Nicotinic acid cocrystal","","","- C22 H18 Cl3 N3 O3 S -","- C22 H18 Cl3 N3 O3 S -","- C88 H72 Cl12 N12 O12 S4 -","4","2","","Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.","Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes","CrystEngComm","2023","25","48","6758","6776","10.1039/D3CE00948C","","","1.54184","CuKα","","0.0813","0.073","","","0.1879","0.2019","","","","","","1.086","","","","has coordinates","288801","2024-01-06","08:01:57",""
"7247715","16.9432","0.001","6.7811","0.0003","34.455","0.002","90","","98.406","0.005","90","","3916.1","0.4","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C16 H15 Cl3 N2 O5 S2 -","- C16 H15 Cl3 N2 O5 S2 -","- C128 H120 Cl24 N16 O40 S16 -","8","1","","Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.","Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes","CrystEngComm","2023","25","48","6758","6776","10.1039/D3CE00948C","","","0.71073","MoKα","","0.1484","0.1013","","","0.2524","0.3134","","","","","","1.038","","","","has coordinates","288801","2024-01-06","08:01:57",""
"7247716","7.488","0.0002","11.3843","0.0004","13.028","0.0004","83.111","0.003","83.102","0.003","75.116","0.003","1060.94","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Tioconazole-ter-pthalic acid (1:0.5) cocrystal","","","- C20 H16 Cl3 N2 O3 S -","- C20 H16 Cl3 N2 O3 S -","- C40 H32 Cl6 N4 O6 S2 -","2","1","","Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.","Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes","CrystEngComm","2023","25","48","6758","6776","10.1039/D3CE00948C","","","1.54184","CuKα","","0.0758","0.0679","","","0.1792","0.1925","","","","","","1.075","","","","has coordinates","288801","2024-01-06","08:01:57",""
"7247717","28.7499","0.0012","6.6873","0.0005","26.7737","0.001","90","","106.37","0.004","90","","4938.8","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Tioconazole-p-tolunesulfonate salt","","","- C23 H14 Cl3 N2 O4 S2 -","- C23 H14 Cl3 N2 O4 S2 -","- C184 H112 Cl24 N16 O32 S16 -","8","1","","Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.","Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes","CrystEngComm","2023","25","48","6758","6776","10.1039/D3CE00948C","","","0.71073","MoKα","","0.1162","0.077","","","0.1836","0.2195","","","","","","1.04","","","","has coordinates","288801","2024-01-06","08:01:57",""
"7247718","8.4631","0.0003","12.0147","0.0006","21.5955","0.0018","82.36","0.009","88.44","0.006","88.592","0.003","2175.1","0.2","297","2","297","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H32 Cl6 N4 O11 S3 -","- C32 H32 Cl6 N4 O11 S3 -","- C64 H64 Cl12 N8 O22 S6 -","2","1","","Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.","Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes","CrystEngComm","2023","25","48","6758","6776","10.1039/D3CE00948C","","","1.54184","CuKα","","0.1016","0.086","","","0.2464","0.2716","","","","","","1.095","","","","has coordinates","288801","2024-01-06","08:01:57",""
"7247719","7.6028","0.0001","9.9444","0.0001","35.6016","0.0004","90","","90","","90","","2691.67","0.05","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Tioconazole-L-tartrate 1:1 salt hydrate","","","- C20 H25 Cl3 N2 O10.42 S -","- C20 H25 Cl3 N2 O10.42 S -","- C80 H100 Cl12 N8 O41.68 S4 -","4","1","","Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.","Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes","CrystEngComm","2023","25","48","6758","6776","10.1039/D3CE00948C","","","1.54184","CuKα","","0.0641","0.0618","","","0.1301","0.1312","","","","","","1.146","","","","has coordinates","288801","2024-01-06","08:01:57",""
"7247720","10.5568","0.0003","10.9083","0.0003","20.8988","0.0004","86.078","0.002","77.368","0.002","66.24","0.003","2148.81","0.11","100","2","100","2","","","","","","","","6","P 1","P 1","1","Tioconzaole sulfate (2:1) salt heptahydrate","","","- C32 H42 Cl6 N4 O13 S3 -","- C32 H42 Cl6 N4 O13 S3 -","- C64 H84 Cl12 N8 O26 S6 -","2","2","","Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.","Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes","CrystEngComm","2023","25","48","6758","6776","10.1039/D3CE00948C","","","1.54184","CuKα","","0.0773","0.0677","","","0.1937","0.206","","","","","","1.069","","","","has coordinates","288801","2024-01-06","08:01:57",""
"7247721","7.6541","0.0001","15.9993","0.0004","17.8133","0.0005","73.851","0.002","78.295","0.002","85.648","0.002","2051.33","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Tioconazole-oxalate (2:1)salt tetrahydrate","","","- C34 H36 Cl6 N4 O10 S2 -","- C34 H36 Cl6 N4 O10 S2 -","- C68 H72 Cl12 N8 O20 S4 -","2","1","","Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.","Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes","CrystEngComm","2023","25","48","6758","6776","10.1039/D3CE00948C","","","1.54184","CuKα","","0.0555","0.0492","","","0.1362","0.1414","","","","","","1.095","","","","has coordinates","288801","2024-01-06","08:01:57",""
"7247722","7.4874","0.0002","8.0833","0.0003","19.8791","0.0005","94.572","0.002","98.318","0.002","94.709","0.003","1181.34","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Tioconazole-Fumerate salt monohydrate","","","- C20 H17 Cl3 N2 O6 S -","- C20 H17 Cl3 N2 O6 S -","- C40 H34 Cl6 N4 O12 S2 -","2","1","","Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.","Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes","CrystEngComm","2023","25","48","6758","6776","10.1039/D3CE00948C","","","1.54184","CuKα","","0.0836","0.0726","","","0.1881","0.2029","","","","","","1.047","","","","has coordinates","288801","2024-01-06","08:01:57",""
"7247723","17.2992","0.0013","6.8054","0.0005","34.882","0.003","90","","99.792","0.008","90","","4046.8","0.6","298","2","298","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C16 H14 Cl3 N2 O5 P S -","- C16 H14 Cl3 N2 O5 P S -","- C128 H112 Cl24 N16 O40 P8 S8 -","8","1","","Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.","Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes","CrystEngComm","2023","25","48","6758","6776","10.1039/D3CE00948C","","","1.54184","CuKα","","0.1453","0.0748","","","0.2161","0.2693","","","","","","1.096","","","","has coordinates","288801","2024-01-06","08:01:57",""
"7247724","10.729","0.0003","12.8274","0.0003","16.0617","0.0005","78.507","0.002","83.668","0.002","85.091","0.002","2148.36","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Tioconazole-Terepthalic acid cocrystal","","","- C40 H30 Cl6 N4 O6 S2 -","- C40 H30 Cl6 N4 O6 S2 -","- C80 H60 Cl12 N8 O12 S4 -","2","1","","Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.","Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes","CrystEngComm","2023","25","48","6758","6776","10.1039/D3CE00948C","","","1.54184","CuKα","","0.1246","0.0958","","","0.2802","0.333","","","","","","1.187","","","","has coordinates,has disorder","288801","2024-01-06","08:01:57",""
"7247730","12.994","0.003","18.489","0.004","20.221","0.004","90","","90","","90","","4858","1.8","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C48 H48 Co2 N4 O16 -","- C48 H48 Co2 N4 O16 -","- C192 H192 Co8 N16 O64 -","4","1","","Uvarova, Marina A.; Lutsenko, Irina A.; Babeshkin, Konstantin A.; Sokolov, Andrey V.; Alexandrov, Eugeny V.; Efimov, Nikolay N.; Shmelev, Maxim A.; Khoroshilov, Andrey V.; Eremenko, Igor L.; Kiskin, Mikhail A.","Solvent effect in the chemical design of coordination polymers of various topologies with Co2+ and Ni2+ ions and 2-furoate anions","CrystEngComm","2023","25","48","6786","6795","10.1039/D3CE00813D","","","0.71073","MoKα","","0.1222","0.0675","","","0.1084","0.1274","","","","","","1.008","","","","has coordinates","288802","2024-01-06","08:02:39",""
"7247731","10.3085","0.0007","16.7006","0.0011","18.9218","0.0013","90","","90","","90","","3257.5","0.4","100","","100","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C34 H26 Co N4 O6 -","- C34 H26 Co N4 O6 -","- C136 H104 Co4 N16 O24 -","4","0.5","","Uvarova, Marina A.; Lutsenko, Irina A.; Babeshkin, Konstantin A.; Sokolov, Andrey V.; Alexandrov, Eugeny V.; Efimov, Nikolay N.; Shmelev, Maxim A.; Khoroshilov, Andrey V.; Eremenko, Igor L.; Kiskin, Mikhail A.","Solvent effect in the chemical design of coordination polymers of various topologies with Co2+ and Ni2+ ions and 2-furoate anions","CrystEngComm","2023","25","48","6786","6795","10.1039/D3CE00813D","","","0.71073","MoKα","","0.0979","0.0768","","","0.1527","0.1631","","","","","","1.176","","","","has coordinates","288802","2024-01-06","08:02:42",""
"7247732","26.789","0.003","26.789","0.003","25.456","0.003","90","","90","","120","","15821","3","150.15","","150.15","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C28 H23 N3 Ni O7 -","- C28 H23 N3 Ni O7 -","- C504 H414 N54 Ni18 O126 -","18","1","","Uvarova, Marina A.; Lutsenko, Irina A.; Babeshkin, Konstantin A.; Sokolov, Andrey V.; Alexandrov, Eugeny V.; Efimov, Nikolay N.; Shmelev, Maxim A.; Khoroshilov, Andrey V.; Eremenko, Igor L.; Kiskin, Mikhail A.","Solvent effect in the chemical design of coordination polymers of various topologies with Co2+ and Ni2+ ions and 2-furoate anions","CrystEngComm","2023","25","48","6786","6795","10.1039/D3CE00813D","","","0.71073","MoKα","","0.1508","0.0821","","","0.2118","0.2476","","","","","","1.042","","","","has coordinates","288802","2024-01-06","08:02:52",""
"7247733","10.4988","0.0003","16.7826","0.0004","18.4931","0.0005","90","","90","","90","","3258.43","0.15","100","","100","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C70 H55 N9 Ni2 O12 -","- C70 H55 N9 Ni2 O12 -","- C140 H110 N18 Ni4 O24 -","2","0.25","","Uvarova, Marina A.; Lutsenko, Irina A.; Babeshkin, Konstantin A.; Sokolov, Andrey V.; Alexandrov, Eugeny V.; Efimov, Nikolay N.; Shmelev, Maxim A.; Khoroshilov, Andrey V.; Eremenko, Igor L.; Kiskin, Mikhail A.","Solvent effect in the chemical design of coordination polymers of various topologies with Co2+ and Ni2+ ions and 2-furoate anions","CrystEngComm","2023","25","48","6786","6795","10.1039/D3CE00813D","","","0.71073","MoKα","","0.0728","0.0568","","","0.151","0.1651","","","","","","1.07","","","","has coordinates,has disorder","288802","2024-01-06","08:03:03",""
"7247734","7.74397","0.00015","5.37413","0.0001","18.739","0.0003","90","","99.3886","0.0018","90","","769.42","0.02","99.97","0.15","99.97","0.15","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H4 N4 O2 -","- C8 H4 N4 O2 -","- C32 H16 N16 O8 -","4","1","","Baraboshkin, Nikita M.; Zelenov, Victor P.; Fedyanin, Ivan V.","What are the prospects of [1,2,5]oxadiazolo[3,4-c]cinnoline 5-oxides, 1,5-dioxides and their nitro derivatives as high-energy-density materials? Synthesis, experimental and predicted crystal structures, and calculated explosive properties","CrystEngComm","2023","25","48","6719","6739","10.1039/D3CE00964E","","x-ray","1.54184","CuKα","","0.0398","0.0382","","","0.1031","0.1047","","","","","","1.041","","","","has coordinates","288796","2024-01-06","07:59:52",""
"7247735","14.2846","0.0002","9.9978","0.0001","6.3863","0.0001","90","","90","","90","","912.06","0.02","99.9","0.3","99.9","0.3","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C8 H3 N5 O4 -","- C8 H3 N5 O4 -","- C32 H12 N20 O16 -","4","1","","Baraboshkin, Nikita M.; Zelenov, Victor P.; Fedyanin, Ivan V.","What are the prospects of [1,2,5]oxadiazolo[3,4-c]cinnoline 5-oxides, 1,5-dioxides and their nitro derivatives as high-energy-density materials? Synthesis, experimental and predicted crystal structures, and calculated explosive properties","CrystEngComm","2023","25","48","6719","6739","10.1039/D3CE00964E","","x-ray","1.54184","CuKα","","0.0243","0.0238","","","0.0623","0.0625","","","","","","1.075","","","","has coordinates","288796","2024-01-06","08:00:03",""
"7247736","8.6598","0.0002","12.7026","0.0003","15.575","0.0004","90","","90","","90","","1713.28","0.07","100","0.4","100","0.4","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H3 N5 O4 -","- C8 H3 N5 O4 -","- C64 H24 N40 O32 -","8","1","","Baraboshkin, Nikita M.; Zelenov, Victor P.; Fedyanin, Ivan V.","What are the prospects of [1,2,5]oxadiazolo[3,4-c]cinnoline 5-oxides, 1,5-dioxides and their nitro derivatives as high-energy-density materials? Synthesis, experimental and predicted crystal structures, and calculated explosive properties","CrystEngComm","2023","25","48","6719","6739","10.1039/D3CE00964E","","x-ray","1.54184","CuKα","","0.0464","0.0439","","","0.1219","0.1247","","","","","","1.059","","","","has coordinates","288796","2024-01-06","08:00:05",""
"7247737","14.40027","0.00012","10.46252","0.00009","6.13809","0.00005","90","","90","","90","","924.784","0.013","99.98","0.15","99.98","0.15","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C8 H3 N5 O5 -","- C8 H3 N5 O5 -","- C32 H12 N20 O20 -","4","1","","Baraboshkin, Nikita M.; Zelenov, Victor P.; Fedyanin, Ivan V.","What are the prospects of [1,2,5]oxadiazolo[3,4-c]cinnoline 5-oxides, 1,5-dioxides and their nitro derivatives as high-energy-density materials? Synthesis, experimental and predicted crystal structures, and calculated explosive properties","CrystEngComm","2023","25","48","6719","6739","10.1039/D3CE00964E","","x-ray","1.54184","CuKα","","0.031","0.0308","","","0.083","0.0831","","","","","","1.077","","","","has coordinates","288796","2024-01-06","08:00:17",""
"7247738","8.0979","0.0001","15.91","0.0001","18.7119","0.0001","90","","95.287","0.001","90","","2400.54","0.04","99.97","0.13","99.97","0.13","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H4 N4 O3 -","- C8 H4 N4 O3 -","- C96 H48 N48 O36 -","12","3","","Baraboshkin, Nikita M.; Zelenov, Victor P.; Fedyanin, Ivan V.","What are the prospects of [1,2,5]oxadiazolo[3,4-c]cinnoline 5-oxides, 1,5-dioxides and their nitro derivatives as high-energy-density materials? Synthesis, experimental and predicted crystal structures, and calculated explosive properties","CrystEngComm","2023","25","48","6719","6739","10.1039/D3CE00964E","","x-ray","1.54184","CuKα","","0.0371","0.0357","","","0.0971","0.0983","","","","","","1.034","","","","has coordinates","288796","2024-01-06","08:00:20",""
"7247739","12.53304","0.00019","8.30693","0.00013","9.61288","0.00013","90","","90","","90","","1000.81","0.03","99.9","0.5","99.9","0.5","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C8 H2 N6 O6 -","- C8 H2 N6 O6 -","- C32 H8 N24 O24 -","4","1","","Baraboshkin, Nikita M.; Zelenov, Victor P.; Fedyanin, Ivan V.","What are the prospects of [1,2,5]oxadiazolo[3,4-c]cinnoline 5-oxides, 1,5-dioxides and their nitro derivatives as high-energy-density materials? Synthesis, experimental and predicted crystal structures, and calculated explosive properties","CrystEngComm","2023","25","48","6719","6739","10.1039/D3CE00964E","","x-ray","1.54184","CuKα","","0.0326","0.0322","","","0.0879","0.0882","","","","","","1.058","","","","has coordinates","288796","2024-01-06","08:00:20",""
"7247740","22.7584","0.0008","9.418","0.0002","18.1546","0.0006","90","","112.265","0.004","90","","3601.1","0.2","150","2","149.9","0.6","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H35 Cu O3 P2 S -","- C42 H35 Cu O3 P2 S -","- C168 H140 Cu4 O12 P8 S4 -","4","1","","Srivastava, Devyani; Kushwaha, Aparna; Kociok-Köhn, Gabriele; Gosavi, Suresh W.; Chauhan, Ratna; Kumar, Abhinav; Muddassir, Mohd.","The supramolecular frameworks and electrocatalytic properties of two new structurally diverse tertiary phosphane-appended nickel(ii) and copper(i) thiosquarates","CrystEngComm","2023","25","48","6822","6836","10.1039/D3CE00817G","","x-ray","0.71073","MoKα","","0.0599","0.0395","","","0.072","0.0788","","","","","","1.037","","","","has coordinates","288803","2024-01-06","08:03:11",""
"7247741","9.658","0.00014","10.04345","0.00011","18.763","0.0003","76.6204","0.0011","85.3079","0.0011","81.3483","0.001","1748.37","0.04","150","2","150.15","","","","","","","","","7","P -1","-P 1","2","","","","- C37.25 H33.73 Cl0.27 Ni O5.64 P2 S1.85 -","- C37.25 H33.73 Cl0.27 Ni O5.64 P2 S1.85 -","- C74.5 H67.46 Cl0.54 Ni2 O11.28 P4 S3.7 -","2","1","","Srivastava, Devyani; Kushwaha, Aparna; Kociok-Köhn, Gabriele; Gosavi, Suresh W.; Chauhan, Ratna; Kumar, Abhinav; Muddassir, Mohd.","The supramolecular frameworks and electrocatalytic properties of two new structurally diverse tertiary phosphane-appended nickel(ii) and copper(i) thiosquarates","CrystEngComm","2023","25","48","6822","6836","10.1039/D3CE00817G","","","1.54184","CuKα","","0.0405","0.0367","","","0.0928","0.095","","","","","","1.082","","","","has coordinates,has disorder","288803","2024-01-06","08:03:11",""
"7247745","7.0295","0.0004","27.8164","0.0016","12.8722","0.0007","90","","99.071","0.005","90","","2485.5","0.2","250","0.1","250","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 Cl Cu N9 O4 -","- C20 H26 Cl Cu N9 O4 -","- C80 H104 Cl4 Cu4 N36 O16 -","4","1","","Diyali, Nilankar; Chettri, Meena; Saha, Subhajit; Saha, Ankita; Kundu, Subhankar; Mondal, Debasish; Dhak, Debasis; Biswas, Bhaskar","Electrocatalytic hydrogen production activity with a copper(ii)-dipyridylamine complex in acidic water","CrystEngComm","2023","25","48","6837","6844","10.1039/D3CE00996C","","","0.71073","MoKα","","0.0801","0.0576","","","0.1378","0.1577","","","","","","1.032","","","","has coordinates","288797","2024-01-06","08:00:32",""
"7247746","10.5827","0.0006","11.1323","0.0007","12.6983","0.0008","104.061","0.003","113.978","0.003","90.275","0.003","1316.85","0.14","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H48 Mn4 N4 O20 -","- C42 H48 Mn4 N4 O20 -","- C42 H48 Mn4 N4 O20 -","1","0.5","","Kumar, Jayasree; Tarannum, Ibtesham; Zheng, Yan-Zhen; Singh, Saurabh Kumar; Mondal, Kartik Chandra","Assembly of MnIII ions into di-, tetra-, deca-nuclear coordination complexes, zero- to three-dimensional molecular frameworks: molecular spin flop to and short-range bulk magnetic spin flop ordering","CrystEngComm","2024","26","1","80","99","10.1039/D3CE00967J","","","0.71073","MoKα","","0.0874","0.0512","","","0.1236","0.1513","","","","","","0.82","","","","has coordinates","289435","2024-02-04","11:36:18",""
"7247747","7.8214","0.0005","9.9952","0.0006","10.4841","0.0007","94.868","0.002","105.897","0.002","94.543","0.002","780.92","0.09","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H32 Mn2 N6 O8 -","- C30 H32 Mn2 N6 O8 -","- C30 H32 Mn2 N6 O8 -","1","0.5","","Kumar, Jayasree; Tarannum, Ibtesham; Zheng, Yan-Zhen; Singh, Saurabh Kumar; Mondal, Kartik Chandra","Assembly of MnIII ions into di-, tetra-, deca-nuclear coordination complexes, zero- to three-dimensional molecular frameworks: molecular spin flop to and short-range bulk magnetic spin flop ordering","CrystEngComm","2024","26","1","80","99","10.1039/D3CE00967J","","","0.71073","MoKα","","0.0651","0.0478","","","0.1282","0.1463","","","","","","1.139","","","","has coordinates","289435","2024-02-04","11:36:18",""
"7247748","10.063","0.012","12.143","0.015","15.195","0.017","68.52","0.04","73.73","0.04","71.1","0.06","1607","3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H28 Mn2 N6 O8 -","- C30 H28 Mn2 N6 O8 -","- C60 H56 Mn4 N12 O16 -","2","1","","Kumar, Jayasree; Tarannum, Ibtesham; Zheng, Yan-Zhen; Singh, Saurabh Kumar; Mondal, Kartik Chandra","Assembly of MnIII ions into di-, tetra-, deca-nuclear coordination complexes, zero- to three-dimensional molecular frameworks: molecular spin flop to and short-range bulk magnetic spin flop ordering","CrystEngComm","2024","26","1","80","99","10.1039/D3CE00967J","","","0.71073","MoKα","","0.1026","0.0684","","","0.1855","0.2105","","","","","","1.068","","","","has coordinates,has disorder","289435","2024-02-04","11:36:19",""
"7247749","9.888","0.004","20.717","0.009","21.011","0.009","71.075","0.007","77.324","0.008","80.532","0.007","3952","3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C69 H60 Mn5 N12 O21 S5 -","- C69 H60 Mn5 N12 O21 S5 -","- C138 H120 Mn10 N24 O42 S10 -","2","1","","Kumar, Jayasree; Tarannum, Ibtesham; Zheng, Yan-Zhen; Singh, Saurabh Kumar; Mondal, Kartik Chandra","Assembly of MnIII ions into di-, tetra-, deca-nuclear coordination complexes, zero- to three-dimensional molecular frameworks: molecular spin flop to and short-range bulk magnetic spin flop ordering","CrystEngComm","2024","26","1","80","99","10.1039/D3CE00967J","","","0.71073","MoKα","","0.1419","0.095","","","0.2551","0.2944","","","","","","1.028","","","","has coordinates,has disorder","289435","2024-02-04","11:36:19",""
"7247750","7.959","0.0006","10.7872","0.0008","29.582","0.002","90","","93.461","0.004","90","","2535.1","0.3","193","","193","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C30 H18 Mn N4 O4 -","- C30 H18 Mn N4 O4 -","- C120 H72 Mn4 N16 O16 -","4","1","","Li, Duqingcuo; Liu, Yichen; Xiang, Ruifang; Li, Yuyan; Qin, Tianrui; Dong, Xiu Yan; Sakiyama, Hiroshi; Muddassir, Mohd.; Liu, Jianqiang","Synthesis, structure, and investigation of unique magnetic properties in two novel Mn-based coordination polymers","CrystEngComm","2023","25","48","6777","6785","10.1039/D3CE01060K","","","1.34139","GaKα","","0.05","0.036","","","0.0876","0.0943","","","","","","1.032","","","","has coordinates,has disorder","288798","2024-01-06","08:00:41",""
"7247751","9.584","0.0002","10.552","0.0003","11.7635","0.0003","93.832","0.001","111.246","0.001","108.96","0.001","1025.39","0.05","173","2","173","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H17 Mn N4 O5 -","- C24 H17 Mn N4 O5 -","- C48 H34 Mn2 N8 O10 -","2","1","","Li, Duqingcuo; Liu, Yichen; Xiang, Ruifang; Li, Yuyan; Qin, Tianrui; Dong, Xiu Yan; Sakiyama, Hiroshi; Muddassir, Mohd.; Liu, Jianqiang","Synthesis, structure, and investigation of unique magnetic properties in two novel Mn-based coordination polymers","CrystEngComm","2023","25","48","6777","6785","10.1039/D3CE01060K","","","1.54178","CuKα","","0.0327","0.0299","","","0.0763","0.0786","","","","","","1.049","","","","has coordinates,has disorder","288798","2024-01-06","08:00:47",""
"7247754","9.7958","0.0004","7.7989","0.0003","14.7319","0.0006","90","","90","","90","","1125.47","0.08","296","2","296.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C3 H5 N5 O2 -","- C3 H5 N5 O2 -","- C24 H40 N40 O16 -","8","1","","Zhang, Lingfeng; Wang, Yu; Wang, Yefeng; Liu, Shuai; Zhang, Na; Yang, Mingmin; Ma, Haixia; Guo, Zhaoqi","N-Methylene-C bridged tetrazole and 1,2,4-triazole energetic salts as promising primary explosives","CrystEngComm","2024","26","2","143","152","10.1039/D3CE01051A","","","0.71073","MoKα","","0.08","0.0441","","","0.0918","0.1069","","","","","","1.028","","","","has coordinates","289448","2024-02-04","11:39:15",""
"7247755","4.0899","0.0018","8.238","0.005","20.69","0.011","96.88","0.02","90.38","0.04","95.16","0.03","689.2","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H6 K2 N11 O6 -","- C4 H6 K2 N11 O6 -","- C8 H12 K4 N22 O12 -","2","1","","Zhang, Lingfeng; Wang, Yu; Wang, Yefeng; Liu, Shuai; Zhang, Na; Yang, Mingmin; Ma, Haixia; Guo, Zhaoqi","N-Methylene-C bridged tetrazole and 1,2,4-triazole energetic salts as promising primary explosives","CrystEngComm","2024","26","2","143","152","10.1039/D3CE01051A","","","1.34139","GaKα","","0.0293","0.0281","","","0.0802","0.0811","","","","","","1.075","","","","has coordinates","289448","2024-02-04","11:39:15",""
"7247756","9.0488","0.0014","13.078","0.002","6.7239","0.0012","90","","101.968","0.005","90","","778.4","0.2","296","2","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C4 H8 N10 -","- C4 H8 N10 -","- C16 H32 N40 -","4","1","","Zhang, Lingfeng; Wang, Yu; Wang, Yefeng; Liu, Shuai; Zhang, Na; Yang, Mingmin; Ma, Haixia; Guo, Zhaoqi","N-Methylene-C bridged tetrazole and 1,2,4-triazole energetic salts as promising primary explosives","CrystEngComm","2024","26","2","143","152","10.1039/D3CE01051A","","","0.71073","MoKα","","0.0832","0.0678","","","0.1607","0.1707","","","","","","1.093","","","","has coordinates","289448","2024-02-04","11:39:15",""
"7247757","3.8946","0.0011","14.07","0.004","23.813","0.007","90","","92.162","0.009","90","","1304","0.6","180","2","179.97","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H11 N12 O7 -","- C4 H11 N12 O7 -","- C16 H44 N48 O28 -","4","1","","Zhang, Lingfeng; Wang, Yu; Wang, Yefeng; Liu, Shuai; Zhang, Na; Yang, Mingmin; Ma, Haixia; Guo, Zhaoqi","N-Methylene-C bridged tetrazole and 1,2,4-triazole energetic salts as promising primary explosives","CrystEngComm","2024","26","2","143","152","10.1039/D3CE01051A","","","0.71073","MoKα","","0.1721","0.1056","","","0.2375","0.2709","","","","","","1.091","","","","has coordinates","289448","2024-02-04","11:39:15",""
"7247762","17.1155","0.0007","17.1155","0.0007","17.1155","0.0007","90","","90","","90","","5013.8","0.4","293","","293","","","","","","","","","5","I -4 3 m","I -4 2 3","217","ZIF-67","","","- C8.34 H11 Co N9.17 O0.17 -","- C8 H10 Co N9.16667 -","- C96 H120 Co12 N110 -","12","0.25","","Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.","High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67","CrystEngComm","2023","25","47","6533","6538","10.1039/D3CE00979C","","x-ray","0.71073","MoKα","","0.0696","0.066","","","0.1848","0.1875","","","","","","1.189","","","","has coordinates,has disorder","288793","2024-01-06","07:59:23",""
"7247763","16.9979","0.0006","16.9979","0.0006","16.9979","0.0006","90","","90","","90","","4911.2","0.3","293","","293","","","","","","","","","4","I -4 3 m","I -4 2 3","217","ZIF-67","","","- C8 H10 Co N10.44 -","- C8 H10 Co N10.4445 -","- C96 H120 Co12 N125.334 -","12","0.25","","Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.","High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67","CrystEngComm","2023","25","47","6533","6538","10.1039/D3CE00979C","","x-ray","0.71073","MoKα","","0.0847","0.0801","","","0.2325","0.2398","","","","","","1.114","","","","has coordinates,has disorder","288793","2024-01-06","07:59:23",""
"7247764","17.0426","0.0004","17.0426","0.0004","17.0426","0.0004","90","","90","","90","","4950","0.2","293","2","293","2","","","","","","","","5","I -4 3 m","I -4 2 3","217","ZIF-67","","","- C10 H16 Co N4 O -","- C8 H10 Co N4 -","- C96 H120 Co12 N48 -","12","0.25","","Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.","High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67","CrystEngComm","2023","25","47","6533","6538","10.1039/D3CE00979C","","x-ray","0.71073","MoKα","","0.0619","0.043","","","0.0932","0.0984","","","","","","1.014","","","","has coordinates,has disorder","288793","2024-01-06","07:59:23",""
"7247765","16.8057","0.0004","16.8057","0.0004","16.8057","0.0004","90","","90","","90","","4746.5","0.2","293","2","293","2","","","","","","","","4","I -4 3 m","I -4 2 3","217","ZIF-67","","","- C8 H10 Co N13.73 -","- C8 H10 Co N13.7334 -","- C96 H120 Co12 N164.801 -","12","0.25","","Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.","High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67","CrystEngComm","2023","25","47","6533","6538","10.1039/D3CE00979C","","x-ray","0.71073","MoKα","","0.0781","0.0721","","","0.1893","0.1947","","","","","","1.105","","","","has coordinates,has disorder","288793","2024-01-06","07:59:23",""
"7247766","16.9247","0.0006","16.9247","0.0006","16.9247","0.0006","90","","90","","90","","4848","0.3","293","2","293","2","","","","","","","","4","I -4 3 m","I -4 2 3","217","ZIF-67","","","- C8 H10 Co N13 -","- C8 H10 Co N13.0001 -","- C96 H120 Co12 N156.001 -","12","0.25","","Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.","High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67","CrystEngComm","2023","25","47","6533","6538","10.1039/D3CE00979C","","x-ray","0.71073","MoKα","","0.0867","0.0816","","","0.2091","0.2136","","","","","","1.113","","","","has coordinates,has disorder","288793","2024-01-06","07:59:23",""
"7247767","16.6284","0.0004","16.6284","0.0004","16.6284","0.0004","90","","90","","90","","4597.81","0.19","293","2","293","2","","","","","","","","4","I -4 3 m","I -4 2 3","217","ZIF-67","","","- C8 H10 Co N13.33 -","- C8 H10 Co N13.3335 -","- C96 H120 Co12 N160.002 -","12","0.25","","Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.","High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67","CrystEngComm","2023","25","47","6533","6538","10.1039/D3CE00979C","","x-ray","0.71073","MoKα","","0.1064","0.0871","","","0.2123","0.2224","","","","","","1.178","","","","has coordinates,has disorder","288793","2024-01-06","07:59:23",""
"7247768","17.074","0.0004","17.074","0.0004","17.074","0.0004","90","","90","","90","","4977.4","0.2","293","","293","","","","","","","","","4","I -4 3 m","I -4 2 3","217","ZIF-67","","","- C8 H10 Co N10.08 -","- C8 H10 Co N10.0835 -","- C96 H120 Co12 N121.002 -","12","0.25","","Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.","High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67","CrystEngComm","2023","25","47","6533","6538","10.1039/D3CE00979C","","x-ray","0.71073","MoKα","","0.0707","0.0675","","","0.2079","0.2103","","","","","","1.249","","","","has coordinates,has disorder","288793","2024-01-06","07:59:23",""
"7247769","17.2086","0.0004","17.2086","0.0004","17.2086","0.0004","90","","90","","90","","5096.1","0.2","293","2","293","2","","","","","","","","5","I -4 3 m","I -4 2 3","217","ZIF-67","","","- C10.92 H21.67 Co N4 O2.92 -","- C8 H10 Co N4 -","- C96 H120 Co12 N48 -","12","0.25","","Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.","High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67","CrystEngComm","2023","25","47","6533","6538","10.1039/D3CE00979C","","x-ray","0.71073","MoKα","","0.0191","0.0185","","","0.0514","0.0516","","","","","","1.106","","","","has coordinates,has disorder","288793","2024-01-06","07:59:23",""
"7247770","17.223","0.0004","17.223","0.0004","17.223","0.0004","90","","90","","90","","5108.9","0.2","293","2","293","2","","","","","","","","5","I -4 3 m","I -4 2 3","217","ZIF-67","","","- C11.75 H25 Co N4 O3.75 -","- C8 H10 Co N4 -","- C96 H120 Co12 N48 -","12","0.25","","Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.","High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67","CrystEngComm","2023","25","47","6533","6538","10.1039/D3CE00979C","","x-ray","0.71073","MoKα","","0.0453","0.0415","","","0.1183","0.1245","","","","","","1.168","","","","has coordinates,has disorder","288793","2024-01-06","07:59:23",""
"7247771","16.7265","0.0004","16.7265","0.0004","16.7265","0.0004","90","","90","","90","","4679.67","0.19","293","2","293","2","","","","","","","","4","I -4 3 m","I -4 2 3","217","ZIF-67","","","- C8 H10 Co N13.83 -","- C8 H10 Co N13.8335 -","- C96 H120 Co12 N166.001 -","12","0.25","","Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.","High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67","CrystEngComm","2023","25","47","6533","6538","10.1039/D3CE00979C","","x-ray","0.71073","MoKα","","0.0788","0.0744","","","0.1887","0.1935","","","","","","1.162","","","","has coordinates,has disorder","288793","2024-01-06","07:59:23",""
"7247772","16.4992","0.0004","16.4992","0.0004","16.4992","0.0004","90","","90","","90","","4491.47","0.19","293","2","293","2","","","","","","","","4","I -4 3 m","I -4 2 3","217","ZIF-67","","","- C8 H10 Co N13.33 -","- C8 H10 Co N13.3335 -","- C96 H120 Co12 N160.002 -","12","0.25","","Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.","High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67","CrystEngComm","2023","25","47","6533","6538","10.1039/D3CE00979C","","x-ray","0.71073","MoKα","","0.0959","0.0849","","","0.2206","0.232","","","","","","1.135","","","","has coordinates,has disorder","288793","2024-01-06","07:59:23",""
"7247773","17.164","0.0003","17.164","0.0003","17.164","0.0003","90","","90","","90","","5056.56","0.15","293","2","293","2","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C11.83 H25.33 Co N4 O3.83 -","- C8 H10 Co N4 -","- C96 H120 Co12 N48 -","12","0.25","","Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.","High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67","CrystEngComm","2023","25","47","6533","6538","10.1039/D3CE00979C","","x-ray","0.71073","MoKα","","0.0897","0.0845","","","0.2227","0.239","","","","","","1.114","","","","has coordinates,has disorder","288793","2024-01-06","07:59:23",""
"7247774","17.1155","0.0002","17.1155","0.0002","17.1155","0.0002","90","","90","","90","","5013.82","0.1","293","2","293","2","","","","","","","","5","I -4 3 m","I -4 2 3","217","ZIF-67","","","- C11 H19 Co N4 O1.5 -","- C8 H10 Co N4 -","- C96 H120 Co12 N48 -","12","0.25","","Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.","High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67","CrystEngComm","2023","25","47","6533","6538","10.1039/D3CE00979C","","x-ray","0.71073","MoKα","","0.0317","0.0301","","","0.0809","0.0816","","","","","","1.136","","","","has coordinates,has disorder","288793","2024-01-06","07:59:23",""
"7247775","16.9823","0.0004","16.9823","0.0004","16.9823","0.0004","90","","90","","90","","4897.7","0.2","293","2","293","2","","","","","","","","5","I -4 3 m","I -4 2 3","217","ZIF-67","","","- C12.5 H28 Co N4 O4.5 -","- C8 H10 Co N4 -","- C96 H120 Co12 N48 -","12","0.25","","Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.","High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67","CrystEngComm","2023","25","47","6533","6538","10.1039/D3CE00979C","","x-ray","0.71073","MoKα","","0.0366","0.0363","","","0.1001","0.1003","","","","","","1.137","","","","has coordinates,has disorder","288793","2024-01-06","07:59:23",""
"7247776","17.1651","0.0003","17.1651","0.0003","17.1651","0.0003","90","","90","","90","","5057.54","0.15","293","2","293","2","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C13.42 H31.67 Co N4 O5.42 -","- C8 H10 Co N4 -","- C96 H120 Co12 N48 -","12","0.25","","Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.","High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67","CrystEngComm","2023","25","47","6533","6538","10.1039/D3CE00979C","","x-ray","0.71073","MoKα","","0.0679","0.0634","","","0.1727","0.1801","","","","","","1.141","","","","has coordinates,has disorder","288793","2024-01-06","07:59:23",""
"7247777","16.8677","0.0005","16.8677","0.0005","16.8677","0.0005","90","","90","","90","","4799.2","0.2","293","2","293","2","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C12.83 H29.33 Co N4 O4.83 -","- C8 H10 Co N4 -","- C96 H120 Co12 N48 -","12","0.25","","Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.","High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67","CrystEngComm","2023","25","47","6533","6538","10.1039/D3CE00979C","","x-ray","0.71073","MoKα","","0.028","0.0278","","","0.0782","0.0783","","","","","","1.114","","","","has coordinates,has disorder","288793","2024-01-06","07:59:23",""
"7247778","16.923","0.0005","16.923","0.0005","16.923","0.0005","90","","90","","90","","4846.5","0.2","100.01","0.1","100.01","0.1","","","","","","","","5","I -4 3 m","I -4 2 3","217","ZIF-67","","","- C11.67 H21 Co N4 O1.83 -","- C8 H10 Co N4 -","- C96 H120 Co12 N48 -","12","0.25","","Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.","High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67","CrystEngComm","2023","25","47","6533","6538","10.1039/D3CE00979C","","x-ray","1.54184","CuKα","","0.069","0.0584","","","0.1773","0.1899","","","","","","1.098","","","","has coordinates,has disorder","288793","2024-01-06","07:59:23",""
"7247779","16.5684","0.0003","16.5684","0.0003","16.5684","0.0003","90","","90","","90","","4548.22","0.14","293","2","293","2","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- C8 H10 Co N13.33 -","- C8 H10 Co N13.3335 -","- C96 H120 Co12 N160.002 -","12","0.25","","Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.","High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67","CrystEngComm","2023","25","47","6533","6538","10.1039/D3CE00979C","","x-ray","0.71073","MoKα","","0.0844","0.0796","","","0.2069","0.2121","","","","","","1.151","","","","has coordinates,has disorder","288793","2024-01-06","07:59:23",""
"7247782","11.276","0.004","6.42","0.004","29.326","0.009","90","","96.45","0.03","90","","2109.5","1.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 F3 N3 O2 -","- C23 H26 F3 N3 O2 -","- C92 H104 F12 N12 O8 -","4","1","","Krawczyk, Marta S.; Krawczyk, Monika K.; Majerz, Irena","Polymorphism of amantadinium niflumate","CrystEngComm","2023","25","48","6748","6757","10.1039/D3CE00754E","","","1.54184","CuKα","","0.0352","0.0323","","","0.0813","0.0837","","","","","","1.029","","","","has coordinates","288799","2024-01-06","08:01:03",""
"7247783","16.953","0.006","6.359","0.003","20.573","0.006","90","","108.29","0.03","90","","2105.8","1.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 F3 N3 O2 -","- C23 H26 F3 N3 O2 -","- C92 H104 F12 N12 O8 -","4","1","","Krawczyk, Marta S.; Krawczyk, Monika K.; Majerz, Irena","Polymorphism of amantadinium niflumate","CrystEngComm","2023","25","48","6748","6757","10.1039/D3CE00754E","","","1.54184","CuKα","","0.0501","0.0443","","","0.1178","0.1222","","","","","","1.018","","","","has coordinates,has disorder","288799","2024-01-06","08:01:10",""
"7247790","8.6333","0.0007","10.6401","0.0007","24.273","0.002","90","","90","","90","","2229.7","0.3","113","2","113.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C15 H12 O2 -","- C15 H12 O2 -","- C120 H96 O16 -","8","1","","Liu, Yumin; Gong, Junbo; Yan, Dongpeng; Wang, Jingkang","Insight into polymorphism in weakly polar systems using favorable connection motifs","CrystEngComm","2024","26","2","153","159","10.1039/D3CE00856H","","x-ray","0.71073","MoKα","","0.069","0.0518","","","0.1125","0.126","","","","","","1.063","","","","has coordinates","289450","2024-02-04","11:39:28",""
"7247791","12.5547","0.0008","11.7675","0.0006","7.7848","0.0006","90","","103.444","0.007","90","","1118.59","0.13","113","2","113.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 O2 -","- C15 H12 O2 -","- C60 H48 O8 -","4","1","","Liu, Yumin; Gong, Junbo; Yan, Dongpeng; Wang, Jingkang","Insight into polymorphism in weakly polar systems using favorable connection motifs","CrystEngComm","2024","26","2","153","159","10.1039/D3CE00856H","","x-ray","0.71073","MoKα","","0.0607","0.0474","","","0.1138","0.1232","","","","","","1.044","","","","has coordinates","289450","2024-02-04","11:39:28",""
"7247796","9.366","0.0007","10.5136","0.0008","15.0815","0.0012","107.389","0.003","91.634","0.003","107.736","0.003","1338.12","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H36 Co4 N4 O25 -","- C54 H36 Co4 N4 O25 -","- C54 H36 Co4 N4 O25 -","1","0.5","","Yang, Yuan-Yu; Xue, Jian-Hua; Yang, Dong-Dong; Zhang, Li-Yang; Ma, Qi; Zhao, Xuan","Effects of solvents and metal ions on the synthesis, structural diversity and magnetic properties of the 5′-nitro-[1,1′:3′,1′′-terphenyl]-3,3′′,5,5′′-tetracarboxylic acid ligand and a highly sensitive sensor for Fe3+","CrystEngComm","2024","26","2","170","179","10.1039/D3CE01076G","","","0.71073","MoKα","","0.1134","0.0662","","","0.2087","0.2401","","","","","","1.06","","","","has coordinates","289447","2024-02-04","11:39:07",""
"7247797","18.995","0.004","11.667","0.003","16.273","0.003","90","","113.608","0.007","90","","3304.5","1.3","297","2","297","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H27 N3 O15 Zn2 -","- C32 H27 N3 O15 Zn2 -","- C128 H108 N12 O60 Zn8 -","4","0.5","","Yang, Yuan-Yu; Xue, Jian-Hua; Yang, Dong-Dong; Zhang, Li-Yang; Ma, Qi; Zhao, Xuan","Effects of solvents and metal ions on the synthesis, structural diversity and magnetic properties of the 5′-nitro-[1,1′:3′,1′′-terphenyl]-3,3′′,5,5′′-tetracarboxylic acid ligand and a highly sensitive sensor for Fe3+","CrystEngComm","2024","26","2","170","179","10.1039/D3CE01076G","","","0.71073","MoKα","","0.0868","0.0567","","","0.1479","0.1633","","","","","","0.988","","","","has coordinates","289447","2024-02-04","11:39:07",""
"7247798","19.1756","0.0019","11.7383","0.0012","15.5273","0.0014","90","","111.057","0.003","90","","3261.6","0.6","297","2","297","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H27 Co2 N3 O15 -","- C32 H27 Co2 N3 O15 -","- C128 H108 Co8 N12 O60 -","4","0.5","","Yang, Yuan-Yu; Xue, Jian-Hua; Yang, Dong-Dong; Zhang, Li-Yang; Ma, Qi; Zhao, Xuan","Effects of solvents and metal ions on the synthesis, structural diversity and magnetic properties of the 5′-nitro-[1,1′:3′,1′′-terphenyl]-3,3′′,5,5′′-tetracarboxylic acid ligand and a highly sensitive sensor for Fe3+","CrystEngComm","2024","26","2","170","179","10.1039/D3CE01076G","","","0.71073","MoKα","","0.0887","0.0545","","","0.1353","0.1508","","","","","","1.05","","","","has coordinates","289447","2024-02-04","11:39:07",""
"7247799","19.5933","0.001","22.7256","0.0012","52.888","0.003","90","","90","","90","","23549","2","293","2","293","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C52 H59 N7 Ni2 O23 -","- C52 H37 N7 Ni2 O12 -","- C832 H592 N112 Ni32 O192 -","16","0.5","","Yang, Yuan-Yu; Xue, Jian-Hua; Yang, Dong-Dong; Zhang, Li-Yang; Ma, Qi; Zhao, Xuan","Effects of solvents and metal ions on the synthesis, structural diversity and magnetic properties of the 5′-nitro-[1,1′:3′,1′′-terphenyl]-3,3′′,5,5′′-tetracarboxylic acid ligand and a highly sensitive sensor for Fe3+","CrystEngComm","2024","26","2","170","179","10.1039/D3CE01076G","","","0.71073","MoKα","","0.0492","0.0384","","","0.0843","0.0897","","","","","","1.078","","","","has coordinates","289447","2024-02-04","11:39:07",""
"7247803","7.564","0.0002","21.9862","0.0006","17.8275","0.0004","90","","90","","90","","2964.78","0.13","293","2","293","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C4 H16 Bi Cl5 N2 -","- C4 H15 Bi Cl5 N2 -","- C32 H120 Bi8 Cl40 N16 -","8","0.5","","Pradhan, Abinash; Sahoo, Sanand; Samal, Saroj L.","(C2H5NH3)2BiCl5−xBrx perovskites containing 1D chains: effect of Br substitution on their structural and optical properties","CrystEngComm","2024","26","3","312","323","10.1039/D3CE01019H","","x-ray","0.71073","MoKα","","0.0416","0.03","","","0.0719","0.0751","","","","","","1.02","","","","has coordinates,has disorder","289452","2024-02-04","11:40:26",""
"7247804","7.6954","0.0002","22.2151","0.0008","17.9473","0.0005","90","","90","","90","","3068.16","0.16","293","2","293","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C4 H16 Bi Br2.27 Cl2.73 N2 -","- C4 H15 Bi Br2.259 Cl2.741 N2 -","- C32 H120 Bi8 Br18.072 Cl21.928 N16 -","8","0.5","","Pradhan, Abinash; Sahoo, Sanand; Samal, Saroj L.","(C2H5NH3)2BiCl5−xBrx perovskites containing 1D chains: effect of Br substitution on their structural and optical properties","CrystEngComm","2024","26","3","312","323","10.1039/D3CE01019H","","x-ray","0.71073","MoKα","","0.0796","0.0438","","","0.0848","0.0924","","","","","","1.032","","","","has coordinates,has disorder","289452","2024-02-04","11:40:26",""
"7247805","7.767","0.0003","22.3242","0.0008","18.0376","0.0006","90","","90","","90","","3127.58","0.19","293","2","293","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C4 H16 Bi Br3.13 Cl1.87 N2 -","- C4 H15 Bi Br3.125 Cl1.875 N2 -","- C32 H120 Bi8 Br25 Cl15 N16 -","8","0.5","","Pradhan, Abinash; Sahoo, Sanand; Samal, Saroj L.","(C2H5NH3)2BiCl5−xBrx perovskites containing 1D chains: effect of Br substitution on their structural and optical properties","CrystEngComm","2024","26","3","312","323","10.1039/D3CE01019H","","","0.71073","MoKα","","0.0506","0.0339","","","0.0622","0.066","","","","","","1.026","","","","has coordinates,has disorder","289452","2024-02-04","11:40:26",""
"7247806","7.894","0.0002","22.4137","0.0007","18.2284","0.0006","90","","90","","90","","3225.22","0.17","293","2","293","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C4 H16 Bi Br5 N2 -","- C4 H15 Bi Br5 N2 -","- C32 H120 Bi8 Br40 N16 -","8","0.5","","Pradhan, Abinash; Sahoo, Sanand; Samal, Saroj L.","(C2H5NH3)2BiCl5−xBrx perovskites containing 1D chains: effect of Br substitution on their structural and optical properties","CrystEngComm","2024","26","3","312","323","10.1039/D3CE01019H","","x-ray","0.71073","MoKα","","0.098","0.0521","","","0.0843","0.0933","","","","","","1.016","","","","has coordinates,has disorder","289452","2024-02-04","11:40:26",""
"7247807","7.6366","0.0002","22.1176","0.0008","17.8909","0.0005","90","","90","","90","","3021.83","0.16","293","2","293","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C4 H16 Bi Br1.18 Cl3.82 N2 -","- C4 H15 Bi Br1.187 Cl3.813 N2 -","- C32 H120 Bi8 Br9.496 Cl30.504 N16 -","8","0.5","","Pradhan, Abinash; Sahoo, Sanand; Samal, Saroj L.","(C2H5NH3)2BiCl5−xBrx perovskites containing 1D chains: effect of Br substitution on their structural and optical properties","CrystEngComm","2024","26","3","312","323","10.1039/D3CE01019H","","x-ray","0.71073","MoKα","","0.0627","0.0351","","","0.0668","0.0719","","","","","","0.975","","","","has coordinates,has disorder","289452","2024-02-04","11:40:26",""
"7247808","18.2458","0.0005","22.4324","0.0007","7.8919","0.0002","90","","90","","90","","3230.13","0.16","90","2","90","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C4 H16 Bi Br5 N2 -","- C4 H16 Bi Br5 N2 -","- C32 H128 Bi8 Br40 N16 -","8","1","","Pradhan, Abinash; Sahoo, Sanand; Samal, Saroj L.","(C2H5NH3)2BiCl5−xBrx perovskites containing 1D chains: effect of Br substitution on their structural and optical properties","CrystEngComm","2024","26","3","312","323","10.1039/D3CE01019H","","x-ray","0.71073","MoKα","","0.0582","0.0381","","","0.0913","0.0993","","","","","","1.057","","","","has coordinates,has disorder","289452","2024-02-04","11:40:26",""
"7247809","17.5689","0.0007","21.6639","0.0009","7.487","0.0003","90","","90","","90","","2849.6","0.2","90","2","90","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C4 H16 Bi Cl5 N2 -","- C4 H16 Bi Cl5 N2 -","- C32 H128 Bi8 Cl40 N16 -","8","1","","Pradhan, Abinash; Sahoo, Sanand; Samal, Saroj L.","(C2H5NH3)2BiCl5−xBrx perovskites containing 1D chains: effect of Br substitution on their structural and optical properties","CrystEngComm","2024","26","3","312","323","10.1039/D3CE01019H","","x-ray","0.71073","MoKα","","0.0342","0.0272","","","0.0598","0.0621","","","","","","1.021","","","","has coordinates,has disorder","289452","2024-02-04","11:40:26",""
"7247810","17.7119","0.0005","22.0532","0.0007","7.5527","0.0002","90","","90","","90","","2950.12","0.15","90","2","90","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C4 H16 Bi Br2.12 Cl2.88 N2 -","- C4 H16 Bi Br2.13 Cl2.87 N2 -","- C32 H128 Bi8 Br17.04 Cl22.96 N16 -","8","1","","Pradhan, Abinash; Sahoo, Sanand; Samal, Saroj L.","(C2H5NH3)2BiCl5−xBrx perovskites containing 1D chains: effect of Br substitution on their structural and optical properties","CrystEngComm","2024","26","3","312","323","10.1039/D3CE01019H","","x-ray","0.71073","MoKα","","0.0769","0.0714","","","0.1279","0.1332","","","","","","1.165","","","","has coordinates,has disorder","289452","2024-02-04","11:40:26",""
"7247811","17.6291","0.0003","21.9787","0.0004","7.512","0.0001","90","","90","","90","","2910.63","0.08","90","2","90","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C4 H16 Bi Br1.15 Cl3.85 N2 -","- C4 H16 Bi Br1.149 Cl3.851 N2 -","- C32 H128 Bi8 Br9.192 Cl30.808 N16 -","8","1","","Pradhan, Abinash; Sahoo, Sanand; Samal, Saroj L.","(C2H5NH3)2BiCl5−xBrx perovskites containing 1D chains: effect of Br substitution on their structural and optical properties","CrystEngComm","2024","26","3","312","323","10.1039/D3CE01019H","","x-ray","0.71073","MoKα","","0.0418","0.0358","","","0.0796","0.082","","","","","","1.077","","","","has coordinates,has disorder","289452","2024-02-04","11:40:26",""
"7247812","17.5665","0.0004","7.4508","0.0002","22.164","0.0005","90","","90","","90","","2900.92","0.12","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H16 Bi Cl5 N2 -","- C4 H16 Bi Cl5 N2 -","- C32 H128 Bi8 Cl40 N16 -","8","1","","Pradhan, Abinash; Sahoo, Sanand; Samal, Saroj L.","(C2H5NH3)2BiCl5−xBrx perovskites containing 1D chains: effect of Br substitution on their structural and optical properties","CrystEngComm","2024","26","3","312","323","10.1039/D3CE01019H","","x-ray","0.71073","MoKα","","0.0816","0.0708","","","0.1064","0.1091","","","","","","1.07","","","","has coordinates","289452","2024-02-04","11:40:26",""
"7247813","14.7317","0.0013","15.1925","0.0014","20.7026","0.0019","97.426","0.002","105.699","0.002","93.95","0.002","4397","0.7","273.15","","273.15","","","","","","","","","7","P -1","-P 1","2","","","","- C35 H59 Mn3.5 Mo12 N10 O71 P8 -","- C35 H59 Mn3.5 Mo12 N10 O71 P8 -","- C70 H118 Mn7 Mo24 N20 O142 P16 -","2","1","","Liu, Xiaodong; Xu, Na; Liu, Xiaohui; Guo, Yanyan; Wang, Xiuli","A new {P4Mo6}-based complex as a highly efficient heterogeneous catalyst for the oxidation of alkylbenzenes under mild conditions","CrystEngComm","2024","26","3","364","369","10.1039/D3CE01031G","","x-ray","0.71073","MoKα","K-L~3~","0.0452","0.0396","","","0.0946","0.0979","","","","","","1.069","","","","has coordinates,has disorder","289454","2024-02-04","11:40:41",""
"7247814","10.3061","0.0001","8.9312","0.0001","16.601","0.0003","90","","95.428","0.001","90","","1521.2","0.04","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C31 H26 Cd2 N4 O11 -","- C31 H26 Cd2 N4 O11 -","- C62 H52 Cd4 N8 O22 -","2","0.5","","Li, Wen-Ze; Sheng, Yu-Shu; Zhang, Xiao-Sa; Liu, Yu; Li, Jing; Luan, Jian","Fabrication of 5-R-isophthalic acid-modulated cadmium–organic coordination polymers and selectivity for the efficient detection of multiple analytes","CrystEngComm","2023","25","43","6067","6079","10.1039/D3CE00899A","","","1.54178","CuKα","","0.0248","0.0234","","","0.0606","0.0613","","","","","","1.0483","","","","has coordinates,has disorder","288015","2023-12-04","18:10:45",""
"7247815","11.0328","0.0001","17.1307","0.0002","19.2872","0.0002","90","","93.281","0.001","90","","3639.3","0.07","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15.5 H18 Cd N2 O8 -","- C15.5 H18 Cd N2 O8 -","- C124 H144 Cd8 N16 O64 -","8","1","","Li, Wen-Ze; Sheng, Yu-Shu; Zhang, Xiao-Sa; Liu, Yu; Li, Jing; Luan, Jian","Fabrication of 5-R-isophthalic acid-modulated cadmium–organic coordination polymers and selectivity for the efficient detection of multiple analytes","CrystEngComm","2023","25","43","6067","6079","10.1039/D3CE00899A","","","1.54178","CuKα","","0.0246","0.0234","","","0.0629","0.0637","","","","","","1.0708","","","","has coordinates,has disorder","288015","2023-12-04","18:10:46",""
"7247816","27.3243","0.0002","10.2895","0.0001","17.8117","0.0002","90","","105.53","0.001","90","","4824.99","0.08","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H23 Cd N4 O8.5 -","- C23 H23 Cd N4 O8.5 -","- C184 H184 Cd8 N32 O68 -","8","1","","Li, Wen-Ze; Sheng, Yu-Shu; Zhang, Xiao-Sa; Liu, Yu; Li, Jing; Luan, Jian","Fabrication of 5-R-isophthalic acid-modulated cadmium–organic coordination polymers and selectivity for the efficient detection of multiple analytes","CrystEngComm","2023","25","43","6067","6079","10.1039/D3CE00899A","","","1.54178","CuKα","","0.0579","0.0576","","","0.1448","0.1449","","","","","","0.9176","","","","has coordinates,has disorder","288015","2023-12-04","18:10:47",""
"7247817","10.0583","0.0002","10.1823","0.0002","20.6673","0.0003","97.263","0.002","94.133","0.001","119.439","0.002","1806.38","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H38 Cd2 N4 O15 -","- C33 H38 Cd2 N4 O15 -","- C66 H76 Cd4 N8 O30 -","2","1","","Li, Wen-Ze; Sheng, Yu-Shu; Zhang, Xiao-Sa; Liu, Yu; Li, Jing; Luan, Jian","Fabrication of 5-R-isophthalic acid-modulated cadmium–organic coordination polymers and selectivity for the efficient detection of multiple analytes","CrystEngComm","2023","25","43","6067","6079","10.1039/D3CE00899A","","","1.54178","CuKα","","0.0349","0.033","","","0.0898","0.0924","","","","","","1.045","","","","has coordinates","288015","2023-12-04","18:10:47",""
"7247818","12.2633","0.0015","6.5624","0.0008","11.4726","0.0014","90","","111.627","0.003","90","","858.28","0.18","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Aspirin","2-acetoxybenzoicacid","","- C9 H8 O4 -","- C9 H8 O4 -","- C36 H32 O16 -","4","1","","Muthusamy, Ramya; Karuppannan, Srinivasan","Liquid–liquid phase separation and crystallization of aspirin polymorphs from a water–acetonitrile mixed solvent medium through a swift cooling process","CrystEngComm","2023","25","47","6611","6621","10.1039/D3CE00611E","","","0.71073","MoKα","","0.1545","0.0748","","","0.1681","0.2056","","","","","","1.012","","","","has coordinates","288016","2023-12-04","18:14:59",""
"7247819","11.429","0.004","6.597","0.002","11.395","0.004","90","","95.75","0.009","90","","854.8","0.5","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Acetylsalicylic acid","2-acetoxybenzoicacid","","- C9 H8 O4 -","- C9 H8 O4 -","- C36 H32 O16 -","4","1","","Muthusamy, Ramya; Karuppannan, Srinivasan","Liquid–liquid phase separation and crystallization of aspirin polymorphs from a water–acetonitrile mixed solvent medium through a swift cooling process","CrystEngComm","2023","25","47","6611","6621","10.1039/D3CE00611E","","","0.71073","MoKα","","0.1119","0.0524","","","0.1074","0.1245","","","","","","1.037","","","","has coordinates","288016","2023-12-04","18:15:03",""
"7247820","26.692","0.007","15.981","0.004","19.803","0.005","90","","96.761","0.003","90","","8389","4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C74 H101 Co2 Ho2 N7 O37 -","- C74 H101 Co2 Ho2 N7 O37 -","- C296 H404 Co8 Ho8 N28 O148 -","4","0.5","","Ahmed, Naushad; Sahu, Prem Prakash","Ferromagnetically coupled CoII2LnIII2 complexes (where LnIII = Ho, Er, Yb): experimental and theoretical investigations","CrystEngComm","2023","25","47","6592","6601","10.1039/D3CE00827D","","","0.7107","MoKα","","0.0517","0.0456","","","0.0897","0.093","","","","","","1.106","","","","has coordinates,has disorder","288017","2023-12-04","18:16:25",""
"7247821","26.7585","0.0007","16.0409","0.0005","19.8206","0.0006","90","","96.4","0.003","90","","8454.6","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C74 H101 Co2 N7 O37 Yb2 -","- C74 H101 Co2 N7 O37 Yb2 -","- C296 H404 Co8 N28 O148 Yb8 -","4","0.5","","Ahmed, Naushad; Sahu, Prem Prakash","Ferromagnetically coupled CoII2LnIII2 complexes (where LnIII = Ho, Er, Yb): experimental and theoretical investigations","CrystEngComm","2023","25","47","6592","6601","10.1039/D3CE00827D","","","0.71073","MoKα","","0.0561","0.0413","","","0.084","0.0946","","","","","","1.045","","","","has coordinates,has disorder","288017","2023-12-04","18:16:26",""
"7247822","7.9718","0.0005","14.0812","0.0009","11.5373","0.0008","90","","95.204","0.002","90","","1289.75","0.15","296.15","","296.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H29 Co N4 O13 P -","- C19 H29 Co N4 O13 P -","- C38 H58 Co2 N8 O26 P2 -","2","1","","Zhang, Menglei; Li, Zhongkui; Zhu, Yanhong; Yan, Li; Zhong, Xue; Zhang, Yijie; Li, Ziyao; Bai, Yixiang; Li, Hui","Mimic uracil–uracil base pairing: self-assembly and single crystal structure","CrystEngComm","2024","26","3","261","267","10.1039/D3CE01056B","","","0.71073","MoKα","","0.0436","0.0333","","","0.063","0.0664","","","","","","0.977","","","","has coordinates","289457","2024-02-04","11:41:59",""
"7247823","6.7824","0.0006","13.8721","0.0012","15.7504","0.0014","68.453","0.003","89.86","0.003","80.963","0.003","1358.8","0.2","296.15","","296.15","","","","","","","","","6","P 1","P 1","1","","","","- C33 H63 Co2 N9 O32 P2 -","- C33 H63 Co2 N9 O32 P2 -","- C33 H63 Co2 N9 O32 P2 -","1","1","","Zhang, Menglei; Li, Zhongkui; Zhu, Yanhong; Yan, Li; Zhong, Xue; Zhang, Yijie; Li, Ziyao; Bai, Yixiang; Li, Hui","Mimic uracil–uracil base pairing: self-assembly and single crystal structure","CrystEngComm","2024","26","3","261","267","10.1039/D3CE01056B","","","0.71073","MoKα","","0.1054","0.0644","","","0.155","0.178","","","","","","1.018","","","","has coordinates","289457","2024-02-04","11:41:59",""
"7247824","6.9314","0.001","13.624","0.002","15.739","0.002","115.138","0.004","93.184","0.004","96.631","0.005","1327.4","0.3","296.15","","296.15","","","","","","","","","6","P 1","P 1","1","","","","- C30 H50 Co2 N8 O27 P2 -","- C30 H50 Co2 N8 O27 P2 -","- C30 H50 Co2 N8 O27 P2 -","1","1","","Zhang, Menglei; Li, Zhongkui; Zhu, Yanhong; Yan, Li; Zhong, Xue; Zhang, Yijie; Li, Ziyao; Bai, Yixiang; Li, Hui","Mimic uracil–uracil base pairing: self-assembly and single crystal structure","CrystEngComm","2024","26","3","261","267","10.1039/D3CE01056B","","x-ray","0.71073","MoKα","","0.1442","0.0821","","","0.1723","0.2002","","","","","","1.019","","","","has coordinates","289457","2024-02-04","11:41:59",""
"7247825","11.7","0.002","31.93","0.006","11.774","0.002","90","","106.376","0.007","90","","4220.1","1.3","296.15","","296.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C58 H82 Co2 N20 O30 P2 -","- C58 H82 Co2 N20 O30 P2 -","- C116 H164 Co4 N40 O60 P4 -","2","1","","Zhang, Menglei; Li, Zhongkui; Zhu, Yanhong; Yan, Li; Zhong, Xue; Zhang, Yijie; Li, Ziyao; Bai, Yixiang; Li, Hui","Mimic uracil–uracil base pairing: self-assembly and single crystal structure","CrystEngComm","2024","26","3","261","267","10.1039/D3CE01056B","","","0.71073","MoKα","","0.0635","0.0534","","","0.1351","0.1402","","","","","","1.021","","","","has coordinates","289457","2024-02-04","11:41:59",""
"7247826","10.7744","0.0004","25.5061","0.0011","31.6431","0.0012","90","","90","","90","","8695.9","0.6","296.15","","296.15","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C27 H35 Cd N8 O14 P -","- C27 H35 Cd N8 O14 P -","- C216 H280 Cd8 N64 O112 P8 -","8","1","","Zhang, Menglei; Li, Zhongkui; Zhu, Yanhong; Yan, Li; Zhong, Xue; Zhang, Yijie; Li, Ziyao; Bai, Yixiang; Li, Hui","Mimic uracil–uracil base pairing: self-assembly and single crystal structure","CrystEngComm","2024","26","3","261","267","10.1039/D3CE01056B","","","0.71073","MoKα","","0.0601","0.0407","","","0.0922","0.0994","","","","","","1.032","","","","has coordinates,has disorder","289457","2024-02-04","11:41:59",""
"7247833","5.1004","0.0007","20.907","0.003","21.437","0.003","90","","94.484","0.004","90","","2278.9","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H18 Cu N4 O9 -","- C27 H18 Cu N4 O9 -","- C108 H72 Cu4 N16 O36 -","4","1","","Duan, Wen-Long; Yan, Ming-Yue; Yan, Feng; Luan, Jian","Fabrication of two 5-R-isophthalic acid-modulated Cu-based coordination polymers as urease inhibitors","CrystEngComm","2024","26","3","324","333","10.1039/D3CE01109G","","","0.71073","MoKα","","0.157","0.0763","","","0.2069","0.2602","","","","","","1.02","","","","has coordinates","289451","2024-02-04","11:39:36",""
"7247834","13.3687","0.0006","19.6383","0.0009","12.8093","0.0005","90","","90","","90","","3362.9","0.3","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C34 H24 Cu2 N6 O17 -","- C34 H24 Cu2 N6 O17 -","- C136 H96 Cu8 N24 O68 -","4","0.5","","Duan, Wen-Long; Yan, Ming-Yue; Yan, Feng; Luan, Jian","Fabrication of two 5-R-isophthalic acid-modulated Cu-based coordination polymers as urease inhibitors","CrystEngComm","2024","26","3","324","333","10.1039/D3CE01109G","","","0.71073","MoKα","","0.0799","0.0402","","","0.0922","0.1094","","","","","","1","","","","has coordinates","289451","2024-02-04","11:39:36",""
"7247836","19.0668","0.001","8.1886","0.0004","8.0487","0.0004","90","","91.561","0.003","90","","1256.18","0.11","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 N3 O3 -","- C12 H16 N3 O3 -","- C48 H64 N12 O12 -","4","1","","Scheepers, Matthew C.; Lemmerer, Andreas","The design of a series of cocrystals featuring dicarboxylic acid with a modified isoniazid derivative","CrystEngComm","2024","26","3","268","276","10.1039/D3CE00846K","","x-ray","0.71073","MoKα","","0.0701","0.0465","","","0.1097","0.1225","","","","","","1.044","","","","has coordinates","289458","2024-02-04","11:42:22",""
"7247837","47.13","0.004","5.0755","0.0004","23.567","0.002","90","","111.352","0.002","90","","5250.5","0.8","173","2","173.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H34 N6 O6 -","- C25 H34 N6 O6 -","- C200 H272 N48 O48 -","8","1","","Scheepers, Matthew C.; Lemmerer, Andreas","The design of a series of cocrystals featuring dicarboxylic acid with a modified isoniazid derivative","CrystEngComm","2024","26","3","268","276","10.1039/D3CE00846K","","x-ray","0.71073","MoKα","","0.1011","0.0829","","","0.1916","0.1988","","","","","","1.183","","","","has coordinates","289458","2024-02-04","11:42:32",""
"7247838","19.888","0.004","8.2744","0.0015","8.3942","0.0015","90","","96.316","0.006","90","","1373","0.4","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 N3 O3 -","- C13 H18 N3 O3 -","- C52 H72 N12 O12 -","4","1","","Scheepers, Matthew C.; Lemmerer, Andreas","The design of a series of cocrystals featuring dicarboxylic acid with a modified isoniazid derivative","CrystEngComm","2024","26","3","268","276","10.1039/D3CE00846K","","x-ray","0.71073","MoKα","","0.1118","0.0664","","","0.1659","0.1913","","","","","","1.032","","","","has coordinates","289458","2024-02-04","11:42:32",""
"7247839","7.9554","0.0004","13.7715","0.0008","14.6005","0.0008","72.874","0.003","75.014","0.003","84.453","0.003","1476.32","0.14","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H40 N6 O6 -","- C28 H40 N6 O6 -","- C56 H80 N12 O12 -","2","1","","Scheepers, Matthew C.; Lemmerer, Andreas","The design of a series of cocrystals featuring dicarboxylic acid with a modified isoniazid derivative","CrystEngComm","2024","26","3","268","276","10.1039/D3CE00846K","","x-ray","0.71073","MoKα","","0.0783","0.0528","","","0.1317","0.149","","","","","","1.027","","","","has coordinates","289458","2024-02-04","11:42:32",""
"7247840","22.0145","0.0019","16.7461","0.0015","7.9045","0.0006","90","","100.476","0.003","90","","2865.5","0.4","173","2","173","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13.5 H19 N3 O3 -","- C13.5 H19 N3 O3 -","- C108 H152 N24 O24 -","8","1","","Scheepers, Matthew C.; Lemmerer, Andreas","The design of a series of cocrystals featuring dicarboxylic acid with a modified isoniazid derivative","CrystEngComm","2024","26","3","268","276","10.1039/D3CE00846K","","x-ray","0.71073","MoKα","","0.107","0.0506","","","0.1077","0.1354","","","","","","1.031","","","","has coordinates","289458","2024-02-04","11:42:32",""
"7247841","12.4347","0.0005","7.204","0.0003","33.7027","0.0013","90","","90","","90","","3019.1","0.2","150","0.1","150","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H15 N3 O -","- C19 H15 N3 O -","- C152 H120 N24 O8 -","8","1","","Han, Chuchu; Yang, Jing; Zhang, Xin; Li, Aisen; Peng, Jiang","Dual control of passive light output direction by light and mechanical forces in elastic crystals","CrystEngComm","2024","26","2","203","208","10.1039/D3CE01021J","","x-ray","1.54178","CuKα","","0.069","0.0539","","","0.1338","0.149","","","","","","1.036","","","","has coordinates","289449","2024-02-04","11:39:21",""
"7247844","16.832","0.0014","14.5894","0.0016","23.725","0.003","90","","90","","90","","5826.1","1.1","293","2","293","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C32 H22 Co2 N4 O9 S6 -","- C32 H22 Co2 N4 O9 S6 -","- C128 H88 Co8 N16 O36 S24 -","4","0.5","","Duan, Chun-Pu; Ni, Ya-Lu; Yang, Xu-Dong; Huang, Jing-Yu; Shen, Yong-Hui; Gu, Xun-Gang; Ni, Gang; Ma, Miao-Lian; Li, Juan; Qin, Ling","Electrocatalytic hydrogen evolution of MOF-derived materials based on conjugated or unconjugated ligands","CrystEngComm","2024","26","3","370","380","10.1039/D3CE00829K","","","0.71073","MoKα","","0.1094","0.0962","","","0.2823","0.2921","","","","","","1.134","","","","has coordinates","289456","2024-02-04","11:41:27",""
"7247845","15.156","0.003","18.378","0.002","15.9626","0.0018","90","","91.834","0.012","90","","4443.9","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H20 Co2 N8 O8 S4 -","- C36 H20 Co2 N8 O8 S4 -","- C144 H80 Co8 N32 O32 S16 -","4","1","","Duan, Chun-Pu; Ni, Ya-Lu; Yang, Xu-Dong; Huang, Jing-Yu; Shen, Yong-Hui; Gu, Xun-Gang; Ni, Gang; Ma, Miao-Lian; Li, Juan; Qin, Ling","Electrocatalytic hydrogen evolution of MOF-derived materials based on conjugated or unconjugated ligands","CrystEngComm","2024","26","3","370","380","10.1039/D3CE00829K","","","0.71073","MoKα","","0.1704","0.1141","","","0.2754","0.3041","","","","","","1.02","","","","has coordinates","289456","2024-02-04","11:41:37",""
"7247846","8.8956","0.0005","14.3091","0.0008","10.4218","0.0006","90","","92.766","0.002","90","","1325.02","0.13","298.27","","298.27","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H26 Cl8 Co2 N4 O2 -","- C14 H26 Cl8 Co2 N4 O2 -","- C28 H52 Cl16 Co4 N8 O4 -","2","0.5","","Li, Haitao; Guo, Zhenwei; Liu, Tie; Xin, Lianxin; Guo, Fang","Solid-state reaction among [CoCl4]2−, [CuCl4]2− and [CuCl4(H2O)]2− ions through transmetalation and liquid-assisted grinding","CrystEngComm","2024","26","3","381","387","10.1039/D3CE01038D","","","0.71073","MoKα","","0.032","0.0267","","","0.0626","0.0658","","","","","","1.059","","","","has coordinates,has disorder","289453","2024-02-04","11:40:34",""
"7247847","8.9266","0.0008","14.2573","0.0012","10.4071","0.0009","90","","92.659","0.002","90","","1323.1","0.2","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H26 Cl8 N4 O2 Zn2 -","- C14 H25.98 Cl8 N4 O2 Zn2 -","- C28 H51.96 Cl16 N8 O4 Zn4 -","2","0.5","","Li, Haitao; Guo, Zhenwei; Liu, Tie; Xin, Lianxin; Guo, Fang","Solid-state reaction among [CoCl4]2−, [CuCl4]2− and [CuCl4(H2O)]2− ions through transmetalation and liquid-assisted grinding","CrystEngComm","2024","26","3","381","387","10.1039/D3CE01038D","","","0.71073","MoKα","","0.0524","0.0489","","","0.1358","0.1396","","","","","","1.056","","","","has coordinates,has disorder","289453","2024-02-04","11:40:34",""
"7247848","9.1035","0.0008","5.0596","0.0004","23.3576","0.0019","90","","93.543","0.003","90","","1073.8","0.15","293.15","","293.15","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C14 H22 Cl6 Cu N4 -","- C14 H22 Cl6 Cu N4 -","- C28 H44 Cl12 Cu2 N8 -","2","0.5","","Li, Haitao; Guo, Zhenwei; Liu, Tie; Xin, Lianxin; Guo, Fang","Solid-state reaction among [CoCl4]2−, [CuCl4]2− and [CuCl4(H2O)]2− ions through transmetalation and liquid-assisted grinding","CrystEngComm","2024","26","3","381","387","10.1039/D3CE01038D","","","0.71073","MoKα","","0.0478","0.0394","","","0.0985","0.1034","","","","","","1.119","","","","has coordinates,has disorder","289453","2024-02-04","11:40:35",""
"7247849","6.3666","0.0003","9.1403","0.0005","11.6139","0.0006","74.548","0.002","88.019","0.002","80.64","0.002","642.71","0.06","293.15","","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H26 Cl8 Cu2 N4 O2 -","- C14 H26 Cl8 Cu2 N4 O2 -","- C14 H26 Cl8 Cu2 N4 O2 -","1","0.5","","Li, Haitao; Guo, Zhenwei; Liu, Tie; Xin, Lianxin; Guo, Fang","Solid-state reaction among [CoCl4]2−, [CuCl4]2− and [CuCl4(H2O)]2− ions through transmetalation and liquid-assisted grinding","CrystEngComm","2024","26","3","381","387","10.1039/D3CE01038D","","","0.71073","MoKα","","0.0272","0.0256","","","0.0641","0.0651","","","","","","1.097","","","","has coordinates","289453","2024-02-04","11:40:35",""
"7247865","15.207","0.002","5.1052","0.0007","26.456","0.004","90","","99.547","0.005","90","","2025.5","0.5","109","","109","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H24 Cl N O4 -","- C22 H24 Cl N O4 -","- C88 H96 Cl4 N4 O16 -","4","2","","De Beer, Francois J.; Jacobs, Frederick J. F.; Ntsila, Akho; Kama, Dumisani V.; Azov, Vladimir A.","Analysis of short contacts in crystals of halogenated amino acids: atom–atom interactions vs. energy frameworks","CrystEngComm","2024","26","5","604","619","10.1039/D3CE01029E","","","1.54178","CuKα","","0.0429","0.0389","","","0.1027","0.1061","","","","","","1.043","","","","has coordinates,has disorder","289440","2024-02-04","11:37:19",""
"7247866","5.1261","0.0009","8.728","0.0014","29.053","0.005","90","","90","","90","","1299.8","0.4","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H16 I N O4 -","- C9 H16 I N O4 -","- C36 H64 I4 N4 O16 -","4","1","","De Beer, Francois J.; Jacobs, Frederick J. F.; Ntsila, Akho; Kama, Dumisani V.; Azov, Vladimir A.","Analysis of short contacts in crystals of halogenated amino acids: atom–atom interactions vs. energy frameworks","CrystEngComm","2024","26","5","604","619","10.1039/D3CE01029E","","","1.54178","CuKα","","0.0435","0.0411","","","0.1063","0.1086","","","","","","1.044","","","","has coordinates","289440","2024-02-04","11:37:19",""
"7247867","5.4467","0.0008","11.4173","0.0018","25.107","0.004","90","","90","","90","","1561.3","0.4","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H22 I N O4 -","- C12 H22 I N O4 -","- C48 H88 I4 N4 O16 -","4","1","","De Beer, Francois J.; Jacobs, Frederick J. F.; Ntsila, Akho; Kama, Dumisani V.; Azov, Vladimir A.","Analysis of short contacts in crystals of halogenated amino acids: atom–atom interactions vs. energy frameworks","CrystEngComm","2024","26","5","604","619","10.1039/D3CE01029E","","","0.71073","MoKα","","0.0206","0.0194","","","0.0393","0.0396","","","","","","1.132","","","","has coordinates","289440","2024-02-04","11:37:19",""
"7247868","5.9666","0.0005","9.8723","0.0009","12.6022","0.0011","90","","93.118","0.003","90","","741.22","0.11","101","2","101","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H44 Cl2 N2 O8 -","- C24 H44 Cl2 N2 O8 -","- C24 H44 Cl2 N2 O8 -","1","0.5","","De Beer, Francois J.; Jacobs, Frederick J. F.; Ntsila, Akho; Kama, Dumisani V.; Azov, Vladimir A.","Analysis of short contacts in crystals of halogenated amino acids: atom–atom interactions vs. energy frameworks","CrystEngComm","2024","26","5","604","619","10.1039/D3CE01029E","","","0.71073","MoKα","","0.0234","0.0231","","","0.0615","0.0617","","","","","","1.046","","","","has coordinates","289440","2024-02-04","11:37:19",""
"7247869","16.6588","0.0011","16.6588","0.0011","5.174","0.0005","90","","90","","120","","1243.5","0.17","110","","110","","","","","","","","","5","P 31","P 31","144","","","","- C15 H20 I N O4 -","- C15 H20 I N O4 -","- C45 H60 I3 N3 O12 -","3","1","","De Beer, Francois J.; Jacobs, Frederick J. F.; Ntsila, Akho; Kama, Dumisani V.; Azov, Vladimir A.","Analysis of short contacts in crystals of halogenated amino acids: atom–atom interactions vs. energy frameworks","CrystEngComm","2024","26","5","604","619","10.1039/D3CE01029E","","","0.71073","MoKα","","0.0295","0.0273","","","0.0641","0.0656","","","","","","1.036","","","","has coordinates","289440","2024-02-04","11:37:19",""
"7247870","9.224","0.0006","5.0773","0.0003","13.2741","0.0009","90","","107.467","0.002","90","","593","0.07","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H16 Cl N O4 -","- C9 H16 Cl N O4 -","- C18 H32 Cl2 N2 O8 -","2","1","","De Beer, Francois J.; Jacobs, Frederick J. F.; Ntsila, Akho; Kama, Dumisani V.; Azov, Vladimir A.","Analysis of short contacts in crystals of halogenated amino acids: atom–atom interactions vs. energy frameworks","CrystEngComm","2024","26","5","604","619","10.1039/D3CE01029E","","","0.71073","MoKα","","0.0219","0.0212","","","0.0527","0.0531","","","","","","1.075","","","","has coordinates","289440","2024-02-04","11:37:19",""
"7247871","5.1069","0.0015","11.791","0.003","26.327","0.008","90","","90","","90","","1585.3","0.8","105","2","105","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 Cl N O4 -","- C15 H20 Cl N O4 -","- C60 H80 Cl4 N4 O16 -","4","1","","De Beer, Francois J.; Jacobs, Frederick J. F.; Ntsila, Akho; Kama, Dumisani V.; Azov, Vladimir A.","Analysis of short contacts in crystals of halogenated amino acids: atom–atom interactions vs. energy frameworks","CrystEngComm","2024","26","5","604","619","10.1039/D3CE01029E","","","1.54178","CuKα","","0.1294","0.0802","","","0.1981","0.2465","","","","","","1.061","","","","has coordinates,has disorder","289440","2024-02-04","11:37:19",""
"7247877","9.9297","0.0001","10.5228","0.0001","21.8433","0.0003","94.3066","0.0007","95.3186","0.0006","107.106","0.0006","2159.41","0.04","299","2","299","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H40 Cd2 N6 O15 -","- C43 H40 Cd2 N6 O15 -","- C86 H80 Cd4 N12 O30 -","2","1","","Chen, Chia-Ling; Wang, Song-Wei; Zhong, Shih-Ying; Chen, Jhy-Der","Cd(ii) coordination polymers constructed from tris-pyridyl-tris-amide and polycarboxylic acid: synthesis, structures and sensing properties","CrystEngComm","2024","26","4","431","438","10.1039/D3CE01096A","","","0.71073","MoKα","","0.0539","0.0346","","","0.0626","0.0687","","","","","","1.014","","","","has coordinates","289445","2024-02-04","11:38:41",""
"7247878","20.134","0.004","20.134","0.004","38.292","0.008","90","0.03","90","0.03","120","0.03","13443","6","296","2","296","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C72 H96 Cd3 N12 O39 -","- C72 H90 Cd3 N12 O39 -","- C432 H540 Cd18 N72 O234 -","6","0.333333","","Chen, Chia-Ling; Wang, Song-Wei; Zhong, Shih-Ying; Chen, Jhy-Der","Cd(ii) coordination polymers constructed from tris-pyridyl-tris-amide and polycarboxylic acid: synthesis, structures and sensing properties","CrystEngComm","2024","26","4","431","438","10.1039/D3CE01096A","","","0.71073","MoKα","","0.1134","0.0582","","","0.1069","0.1292","","","","","","1.032","","","","has coordinates,has disorder","289445","2024-02-04","11:38:41",""
"7247879","10.6729","0.0002","27.5687","0.0004","13.9401","0.0002","90","","108.001","0.0009","90","","3900.94","0.11","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H36 Cd N6 O9 -","- C41 H36 Cd N6 O9 -","- C164 H144 Cd4 N24 O36 -","4","1","","Chen, Chia-Ling; Wang, Song-Wei; Zhong, Shih-Ying; Chen, Jhy-Der","Cd(ii) coordination polymers constructed from tris-pyridyl-tris-amide and polycarboxylic acid: synthesis, structures and sensing properties","CrystEngComm","2024","26","4","431","438","10.1039/D3CE01096A","","","0.71073","MoKα","","0.112","0.0498","","","0.0966","0.1148","","","","","","1.006","","","","has coordinates,has disorder","289445","2024-02-04","11:38:41",""
"7247886","10.7851","0.0004","5.4371","0.0002","22.4992","0.001","90","","91.358","0.004","90","","1318.98","0.09","293","2","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 Cd N12 O14 -","- C18 H14 Cd N12 O14 -","- C36 H28 Cd2 N24 O28 -","2","0.5","","Singla, Priyanka; Soni, Pramod Kumar; Singh, Arjun; Sahoo, Subash Chandra","Constructing energetic coordination polymers through mixed-ligand strategy: way to achieve reduced sensitivity with significant energetic performance","CrystEngComm","2024","26","4","494","503","10.1039/D3CE01043K","","x-ray","0.71073","MoKα","","0.0476","0.0351","","","0.0767","0.0868","","","","","","0.9008","","","","has coordinates","289446","2024-02-04","11:38:53",""
"7247887","10.5932","0.0002","5.3285","0.0001","22.3376","0.0005","90","","92.928","0.002","90","","1259.22","0.04","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 N12 O14 Zn -","- C18 H14 N12 O14 Zn -","- C36 H28 N24 O28 Zn2 -","2","0.5","","Singla, Priyanka; Soni, Pramod Kumar; Singh, Arjun; Sahoo, Subash Chandra","Constructing energetic coordination polymers through mixed-ligand strategy: way to achieve reduced sensitivity with significant energetic performance","CrystEngComm","2024","26","4","494","503","10.1039/D3CE01043K","","","0.71073","MoKα","","0.0419","0.0342","","","0.0902","0.094","","","","","","1.054","","","","has coordinates","289446","2024-02-04","11:38:54",""
"7247888","18.8181","0.0008","18.8181","0.0008","23.6351","0.0007","90","","90","","120","","7248.4","0.5","150","0.1","150","0.1","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C20 H18 Cu N4 O9 -","- C20 H12 Cu N4 O9 -","- C120 H72 Cu6 N24 O54 -","6","0.5","","Dai, Wen; Zhang, Chuanming; Yang, Xiaoang; Li, Lincai","Highly efficient iodine uptake and iodate selective probe in a 3D honeycomb-like copper–organic framework based on in situ ligand transformation","CrystEngComm","2024","26","6","773","782","10.1039/D3CE01169K","","x-ray","1.54184","CuKα","","0.0649","0.0527","","","0.1432","0.1527","","","","","","1.071","","","","has coordinates","290144","2024-03-04","20:07:33",""
"7247889","9.6542","0.0007","15.3891","0.0012","16.7669","0.0016","90","","97.803","0.003","90","","2468","0.4","100","","100","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C18 H22 Cl2 Cu N8 O10 -","- C18 H22 Cl2 Cu N8 O10 -","- C72 H88 Cl8 Cu4 N32 O40 -","4","0.5","","Donaldson, Marryllyn E.; Dais, Tyson N.; Rowlands, Gareth J.; Matheson, Brodie E.; Plieger, Paul G.","Adaptable 2,5-bis((1,2,3-triazol-4-yl)methoxy)pyrazine ligands for the simple self-assembly of homoleptic 1D coordination polymers","CrystEngComm","2024","26","4","504","516","10.1039/D3CE01143G","","","1.54178","CuKα","","0.0746","0.0691","","","0.1728","0.1771","","","","","","1.037","","","","has coordinates,has disorder","289442","2024-02-04","11:37:43",""
"7247890","19.535","0.0009","14.0069","0.0007","10.0241","0.0005","90","","90.699","0.002","90","","2742.6","0.2","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H30 B2 F8 N8 O2 Zn -","- C20 H30 B2 F8 N8 O2 Zn -","- C80 H120 B8 F32 N32 O8 Zn4 -","4","0.5","","Donaldson, Marryllyn E.; Dais, Tyson N.; Rowlands, Gareth J.; Matheson, Brodie E.; Plieger, Paul G.","Adaptable 2,5-bis((1,2,3-triazol-4-yl)methoxy)pyrazine ligands for the simple self-assembly of homoleptic 1D coordination polymers","CrystEngComm","2024","26","4","504","516","10.1039/D3CE01143G","","","1.54178","CuKα","","0.0715","0.0686","","","0.1955","0.199","","","","","","1.082","","","","has coordinates","289442","2024-02-04","11:37:43",""
"7247891","18.3983","0.0014","18.9979","0.0014","10.4012","0.0007","90","","97.843","0.007","90","","3601.5","0.5","150","","150","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26 H24 F6 N8 O11 S2 Zn -","- C26 H18 F6 N8 O8 S2 Zn -","- C104 H72 F24 N32 O32 S8 Zn4 -","4","0.5","","Donaldson, Marryllyn E.; Dais, Tyson N.; Rowlands, Gareth J.; Matheson, Brodie E.; Plieger, Paul G.","Adaptable 2,5-bis((1,2,3-triazol-4-yl)methoxy)pyrazine ligands for the simple self-assembly of homoleptic 1D coordination polymers","CrystEngComm","2024","26","4","504","516","10.1039/D3CE01143G","","","1.54178","CuKα","","0.1651","0.099","","","0.2564","0.3139","","","","","","1.061","","","","has coordinates","289442","2024-02-04","11:37:43",""
"7247892","18.58","0.003","16.19","0.002","9.4572","0.0013","90","","92.654","0.011","90","","2841.8","0.7","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H30 Cl2 Cu N8 O10 -","- C20 H30 Cl2 Cu N8 O10 -","- C80 H120 Cl8 Cu4 N32 O40 -","4","0.5","","Donaldson, Marryllyn E.; Dais, Tyson N.; Rowlands, Gareth J.; Matheson, Brodie E.; Plieger, Paul G.","Adaptable 2,5-bis((1,2,3-triazol-4-yl)methoxy)pyrazine ligands for the simple self-assembly of homoleptic 1D coordination polymers","CrystEngComm","2024","26","4","504","516","10.1039/D3CE01143G","","","1.54178","CuKα","","0.128","0.0782","","","0.2024","0.2453","","","","","","1.103","","","","has coordinates","289442","2024-02-04","11:37:43",""
"7247893","6.8471","0.0004","7.8394","0.0005","16.1936","0.0009","77.929","0.004","85.53","0.004","80.67","0.004","837.89","0.09","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C28 H26 Cu F6 N8 O8 S2 -","- C28 H26 Cu F6 N8 O8 S2 -","- C28 H26 Cu F6 N8 O8 S2 -","1","0.5","","Donaldson, Marryllyn E.; Dais, Tyson N.; Rowlands, Gareth J.; Matheson, Brodie E.; Plieger, Paul G.","Adaptable 2,5-bis((1,2,3-triazol-4-yl)methoxy)pyrazine ligands for the simple self-assembly of homoleptic 1D coordination polymers","CrystEngComm","2024","26","4","504","516","10.1039/D3CE01143G","","","1.54178","CuKα","","0.142","0.1185","","","0.2791","0.2945","","","","","","1.039","","","","has coordinates,has disorder","289442","2024-02-04","11:37:43",""
"7247894","9.8837","0.0005","12.5723","0.0006","13.0446","0.0007","85.637","0.002","84.688","0.002","88.395","0.002","1608.94","0.14","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H30 Cl2 N8 O11 Zn -","- C26 H26 Cl2 N8 O10 Zn -","- C52 H52 Cl4 N16 O20 Zn2 -","2","1","","Donaldson, Marryllyn E.; Dais, Tyson N.; Rowlands, Gareth J.; Matheson, Brodie E.; Plieger, Paul G.","Adaptable 2,5-bis((1,2,3-triazol-4-yl)methoxy)pyrazine ligands for the simple self-assembly of homoleptic 1D coordination polymers","CrystEngComm","2024","26","4","504","516","10.1039/D3CE01143G","","","1.54178","CuKα","","0.0491","0.0483","","","0.1272","0.1279","","","","","","1.044","","","","has coordinates","289442","2024-02-04","11:37:43",""
"7247895","18.5166","0.0011","16.2958","0.0009","9.3201","0.0005","90","","92.768","0.004","90","","2809","0.3","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H30 Cl2 N8 Ni O10 -","- C20 H30 Cl2 N8 Ni O10 -","- C80 H120 Cl8 N32 Ni4 O40 -","4","0.5","","Donaldson, Marryllyn E.; Dais, Tyson N.; Rowlands, Gareth J.; Matheson, Brodie E.; Plieger, Paul G.","Adaptable 2,5-bis((1,2,3-triazol-4-yl)methoxy)pyrazine ligands for the simple self-assembly of homoleptic 1D coordination polymers","CrystEngComm","2024","26","4","504","516","10.1039/D3CE01143G","","","1.54178","CuKα","","0.0821","0.0602","","","0.1639","0.1818","","","","","","1.058","","","","has coordinates","289442","2024-02-04","11:37:43",""
"7247896","9.8467","0.0006","12.6342","0.0008","12.9571","0.0008","85.731","0.003","85.591","0.004","88.909","0.003","1602.56","0.17","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H30 Cl2 Co N8 O11 -","- C26 H26 Cl2 Co N8 O10 -","- C52 H52 Cl4 Co2 N16 O20 -","2","1","","Donaldson, Marryllyn E.; Dais, Tyson N.; Rowlands, Gareth J.; Matheson, Brodie E.; Plieger, Paul G.","Adaptable 2,5-bis((1,2,3-triazol-4-yl)methoxy)pyrazine ligands for the simple self-assembly of homoleptic 1D coordination polymers","CrystEngComm","2024","26","4","504","516","10.1039/D3CE01143G","","","1.54178","CuKα","","0.082","0.0763","","","0.211","0.2201","","","","","","1.094","","","","has coordinates","289442","2024-02-04","11:37:43",""
"7247897","10.0299","0.0012","13.9025","0.0017","19.959","0.002","90","","90","","90","","2783.1","0.6","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H30.5 Cl2 Fe N8 O10.25 -","- C20 H30.5 Cl2 Fe N8 O10.25 -","- C80 H122 Cl8 Fe4 N32 O41 -","4","1","","Donaldson, Marryllyn E.; Dais, Tyson N.; Rowlands, Gareth J.; Matheson, Brodie E.; Plieger, Paul G.","Adaptable 2,5-bis((1,2,3-triazol-4-yl)methoxy)pyrazine ligands for the simple self-assembly of homoleptic 1D coordination polymers","CrystEngComm","2024","26","4","504","516","10.1039/D3CE01143G","","","1.54178","CuKα","","0.0798","0.0615","","","0.1639","0.1765","","","","","","1.061","","","","has coordinates","289442","2024-02-04","11:37:43",""
"7247898","9.7671","0.0008","12.2209","0.001","13.5331","0.0012","87.818","0.005","81.123","0.005","83.122","0.004","1584.2","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C25 H24.5 Cl3.5 Mn N8 O10.5 -","- C24 H22 Cl2 Mn N8 O10 -","- C48 H44 Cl4 Mn2 N16 O20 -","2","1","","Donaldson, Marryllyn E.; Dais, Tyson N.; Rowlands, Gareth J.; Matheson, Brodie E.; Plieger, Paul G.","Adaptable 2,5-bis((1,2,3-triazol-4-yl)methoxy)pyrazine ligands for the simple self-assembly of homoleptic 1D coordination polymers","CrystEngComm","2024","26","4","504","516","10.1039/D3CE01143G","","","1.54178","CuKα","","0.0575","0.0518","","","0.1239","0.1273","","","","","","1.049","","","","has coordinates","289442","2024-02-04","11:37:43",""
"7247904","24.217","0.003","42.642","0.004","8.474","0.001","90","","90","","90","","8750.8","1.7","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C22 H24 Br F N4 O2 -","- C22 H24 Br F N4 O2 -","- C352 H384 Br16 F16 N64 O32 -","16","1","","Bandaru, Ravi Kumar; Giri, Lopamudra; Krishna, Gamidi Rama; Dandela, Rambabu","Novel molecular adducts of an anti-cancer drug vandetanib with enhanced solubility","CrystEngComm","2024","26","3","248","260","10.1039/D3CE01130E","","","0.71073","MoKα","","0.0427","0.0349","","","0.0797","0.0828","","","","","","1.046","","","","has coordinates","289455","2024-02-04","11:41:03",""
"7247905","9.789","0.001","9.937","0.001","12.479","0.001","75.4","0.01","82.79","0.01","75.88","0.03","1136.5","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H27 Br F N4 O4 -","- C24 H27 Br F N4 O4 -","- C48 H54 Br2 F2 N8 O8 -","2","1","","Bandaru, Ravi Kumar; Giri, Lopamudra; Krishna, Gamidi Rama; Dandela, Rambabu","Novel molecular adducts of an anti-cancer drug vandetanib with enhanced solubility","CrystEngComm","2024","26","3","248","260","10.1039/D3CE01130E","","","0.71073","MoKα","","0.0505","0.0442","","","0.1404","0.1469","","","","","","1.09","","","","has coordinates","289455","2024-02-04","11:41:03",""
"7247906","8.929","0.001","12.655","0.001","28.459","0.001","80.46","0.02","89.09","0.01","71.38","0.03","3002.9","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H76 Br2 F2 N8 O14.5 -","- C58 H76 Br2 F2 N8 O14.5 -","- C116 H152 Br4 F4 N16 O29 -","2","1","","Bandaru, Ravi Kumar; Giri, Lopamudra; Krishna, Gamidi Rama; Dandela, Rambabu","Novel molecular adducts of an anti-cancer drug vandetanib with enhanced solubility","CrystEngComm","2024","26","3","248","260","10.1039/D3CE01130E","","","0.71073","MoKα","","0.1627","0.0687","","","0.1329","0.167","","","","","","1.019","","","","has coordinates","289455","2024-02-04","11:41:03",""
"7247907","8.866","0.001","14.05","0.001","14.358","0.001","117.44","0.02","94.18","0.03","95.2","0.03","1567.4","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H42 Br F N4 O7 -","- C31 H42 Br F N4 O7 -","- C62 H84 Br2 F2 N8 O14 -","2","1","","Bandaru, Ravi Kumar; Giri, Lopamudra; Krishna, Gamidi Rama; Dandela, Rambabu","Novel molecular adducts of an anti-cancer drug vandetanib with enhanced solubility","CrystEngComm","2024","26","3","248","260","10.1039/D3CE01130E","","","0.71073","MoKα","","0.0521","0.0384","","","0.0918","0.0979","","","","","","1.023","","","","has coordinates","289455","2024-02-04","11:41:03",""
"7247908","8.913","0.001","12.55","0.001","14.54","0.001","100.34","0.01","96.88","0.01","91.489","0.001","1586.6","0.3","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H40 Br F N4 O9 -","- C28 H40 Br F N4 O9 -","- C56 H80 Br2 F2 N8 O18 -","2","1","","Bandaru, Ravi Kumar; Giri, Lopamudra; Krishna, Gamidi Rama; Dandela, Rambabu","Novel molecular adducts of an anti-cancer drug vandetanib with enhanced solubility","CrystEngComm","2024","26","3","248","260","10.1039/D3CE01130E","","","0.71073","MoKα","","0.0758","0.0419","","","0.0902","0.0981","","","","","","1.023","","","","has coordinates","289455","2024-02-04","11:41:03",""
"7247909","10.149","0.001","13.513","0.002","13.857","0.002","113.16","0.01","106.52","0.01","98.22","0.01","1603.6","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H42 Br F N4 O6 -","- C32 H42 Br F N4 O6 -","- C64 H84 Br2 F2 N8 O12 -","2","1","","Bandaru, Ravi Kumar; Giri, Lopamudra; Krishna, Gamidi Rama; Dandela, Rambabu","Novel molecular adducts of an anti-cancer drug vandetanib with enhanced solubility","CrystEngComm","2024","26","3","248","260","10.1039/D3CE01130E","","","0.71073","MoKα","","0.0263","0.0242","","","0.0645","0.0656","","","","","","1.062","","","","has coordinates","289455","2024-02-04","11:41:03",""
"7247910","11.9478","0.0013","11.6849","0.0013","19.94","0.02","90","","90","","90","","2784","3","298","","298","","570000","","570000","","","","","2","P n a 21","P 2c -2n","33","C6Ph6","Hexaphenylbenzene","","- C42 H30 -","- C42 H30 -","- C168 H120 -","4","1","","Turner, Gemma F.; Stapleton, Nicholas; Brookes, James; Spagnoli, Dino; Sussardi, Alif N.; Jones, Anita C.; McGonigal, Paul R.; Moggach, Stephen A.","The crystal structure of hexaphenylbenzene under high hydrostatic pressure","CrystEngComm","2024","26","4","459","467","10.1039/D3CE01122D","","x-ray","0.71073","MoKα","","0.1403","0.1108","","","0.312","0.3642","","","","","","1.547","","","","has coordinates","289443","2024-02-04","11:38:15",""
"7247911","11.4952","0.0015","19.71","0.03","11.7143","0.0018","90","","91.02","0.013","90","","2654","4","298","2","293","2","1050000","","1050000","","","","","2","P 1 21/c 1","-P 2ybc","14","C6Ph6","Hexaphenylbenzene","","- C42 H30 -","- C42 H30 -","- C168 H120 -","4","1","","Turner, Gemma F.; Stapleton, Nicholas; Brookes, James; Spagnoli, Dino; Sussardi, Alif N.; Jones, Anita C.; McGonigal, Paul R.; Moggach, Stephen A.","The crystal structure of hexaphenylbenzene under high hydrostatic pressure","CrystEngComm","2024","26","4","459","467","10.1039/D3CE01122D","","x-ray","0.71073","MoKα","","0.1852","0.1242","","","0.3226","0.3682","","","","","","1.256","","","","has coordinates","289443","2024-02-04","11:38:15",""
"7247912","11.4968","0.0017","19.231","0.003","11.6579","0.0012","90","","91.196","0.011","90","","2576.9","0.6","298","2","298","2","1740000","","1740000","","","","","2","P 1 21/c 1","-P 2ybc","14","C6Ph6","Hexaphenylbenzene","","- C42 H30 -","- C42 H30 -","- C168 H120 -","4","1","","Turner, Gemma F.; Stapleton, Nicholas; Brookes, James; Spagnoli, Dino; Sussardi, Alif N.; Jones, Anita C.; McGonigal, Paul R.; Moggach, Stephen A.","The crystal structure of hexaphenylbenzene under high hydrostatic pressure","CrystEngComm","2024","26","4","459","467","10.1039/D3CE01122D","","x-ray","0.71073","MoKα","","0.16","0.1136","","","0.3225","0.3667","","","","","","1.374","","","","has coordinates","289443","2024-02-04","11:38:15",""
"7247913","11.4453","0.0014","18.97","0.02","11.5585","0.0017","90","","91.276","0.013","90","","2509","3","298","2","298","2","2320000","","2320000","","","","","2","P 1 21/c 1","-P 2ybc","14","C6Ph6","Hexaphenylbenzene","","- C42 H30 -","- C42 H30 -","- C168 H120 -","4","1","","Turner, Gemma F.; Stapleton, Nicholas; Brookes, James; Spagnoli, Dino; Sussardi, Alif N.; Jones, Anita C.; McGonigal, Paul R.; Moggach, Stephen A.","The crystal structure of hexaphenylbenzene under high hydrostatic pressure","CrystEngComm","2024","26","4","459","467","10.1039/D3CE01122D","","x-ray","0.71073","MoKα","","0.1739","0.1211","","","0.3115","0.3489","","","","","","1.25","","","","has coordinates","289443","2024-02-04","11:38:15",""
"7247914","12.179","0.0017","11.8019","0.0017","20.61","0.03","90","","90","","90","","2962","4","298","","298","","220000","","220000","","","","","2","P n a 21","P 2c -2n","33","C6Ph6","Hexaphenylbenzene","","- C42 H30 -","- C42 H30 -","- C168 H120 -","4","1","","Turner, Gemma F.; Stapleton, Nicholas; Brookes, James; Spagnoli, Dino; Sussardi, Alif N.; Jones, Anita C.; McGonigal, Paul R.; Moggach, Stephen A.","The crystal structure of hexaphenylbenzene under high hydrostatic pressure","CrystEngComm","2024","26","4","459","467","10.1039/D3CE01122D","","x-ray","0.71073","MoKα","","0.1709","0.116","","","0.3033","0.3662","","","","","","1.358","","","","has coordinates","289443","2024-02-04","11:38:15",""
"7247915","12.182","0.0004","11.79","0.0004","20.8728","0.0008","90","","90","","90","","2997.87","0.18","298","","298","","101.325","","101.325","","","","","2","P n a 21","P 2c -2n","33","C6Ph6","Hexaphenylbenzene","","- C42 H30 -","- C42 H30 -","- C168 H120 -","4","1","","Turner, Gemma F.; Stapleton, Nicholas; Brookes, James; Spagnoli, Dino; Sussardi, Alif N.; Jones, Anita C.; McGonigal, Paul R.; Moggach, Stephen A.","The crystal structure of hexaphenylbenzene under high hydrostatic pressure","CrystEngComm","2024","26","4","459","467","10.1039/D3CE01122D","","x-ray","0.71073","MoKα","","0.0561","0.0407","","","0.0946","0.1022","","","","","","1.046","","","","has coordinates","289443","2024-02-04","11:38:15",""
"7247916","9.2164","0.0001","12.1632","0.0002","9.8754","0.0001","90","","96.584","0.001","90","","1099.74","0.02","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H9 Br N16 O16 -","- C10 H9 Br N16 O16 -","- C20 H18 Br2 N32 O32 -","2","1","","Jing, Suming; Deng, Jiahao; Li, Cong; Liu, Yucun; Zhu, Jin; Wang, Yuanyuan; Zhang, Wei; Liu, Jia","High energy explosive with low sensitivity: a new energetic cocrystal based on CL-20 and BMDNP","CrystEngComm","2024","26","8","1126","1132","10.1039/D3CE01118F","","x-ray","1.54184","CuKα","","0.0215","0.0211","","","0.0556","0.0559","","","","","","1.062","","","","has coordinates","290139","2024-03-04","20:06:16",""
"7247923","9.9684","0.0011","10.4769","0.0012","11.0045","0.0012","89.147","0.004","87.966","0.004","62.592","0.004","1019.6","0.2","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C6 H10 N3 O6 Tc -","- C6 H10 N3 O6 Tc -","- C24 H40 N12 O24 Tc4 -","4","4","","Novikov, Anton P.; Safonov, Alexey V.; German, Konstantin E.; Grigoriev, Mikhail S.","What kind of interactions we may get moving from zwitter to “dritter” ions: C–O⋯Re(O4) and Re–O⋯Re(O4) anion⋯anion interactions make structural difference between l-histidinium perrhenate and pertechnetate","CrystEngComm","2024","26","1","61","69","10.1039/D3CE01164J","","","0.71073","MoKα","","0.1041","0.0743","","","0.1584","0.1786","","","","","","1.031","","","","has coordinates","288580","2023-12-31","23:58:23",""
"7247924","9.2915","0.0003","17.0748","0.0005","19.5885","0.0005","90","","90","","90","","3107.73","0.16","100.15","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H10 N3 O6 Re -","- C6 H10 N3 O6 Re -","- C72 H120 N36 O72 Re12 -","12","3","","Novikov, Anton P.; Safonov, Alexey V.; German, Konstantin E.; Grigoriev, Mikhail S.","What kind of interactions we may get moving from zwitter to “dritter” ions: C–O⋯Re(O4) and Re–O⋯Re(O4) anion⋯anion interactions make structural difference between l-histidinium perrhenate and pertechnetate","CrystEngComm","2024","26","1","61","69","10.1039/D3CE01164J","","","0.71073","MoKα","","0.0421","0.0318","","","0.0505","0.0535","","","","","","0.969","","","","has coordinates","288580","2023-12-31","23:58:23",""
"7247925","12.8068","0.0002","9.5159","0.0001","16.9226","0.0002","90","","111.994","0.002","90","","1912.24","0.05","300.15","","300.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H9 Br2 N O5 Zn -","- C11 H9 Br2 N O5 Zn -","- C44 H36 Br8 N4 O20 Zn4 -","4","1","","Meekel, Emily G.; Nicholas, Thomas C.; Slater, Ben; Goodwin, Andrew L.","Torsional flexibility in zinc-benzenedicarboxylate metal-organic frameworks.","CrystEngComm","2024","26","5","673","680","10.1039/d3ce01078c","","","1.54184","CuKα","","0.0327","0.03","","","0.0898","0.0916","","","","","","1.117","","","","has coordinates","289439","2024-02-04","11:37:07",""
"7247926","28.4852","0.0003","28.4852","0.0003","7.9052","0.0001","90","","90","","120","","5554.97","0.11","293","2","293","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C8 H3 Br O4 Zn -","- C8 H3 Br O4 Zn -","- C144 H54 Br18 O72 Zn18 -","18","0.5","","Meekel, Emily G.; Nicholas, Thomas C.; Slater, Ben; Goodwin, Andrew L.","Torsional flexibility in zinc-benzenedicarboxylate metal-organic frameworks.","CrystEngComm","2024","26","5","673","680","10.1039/d3ce01078c","","","1.54184","CuKα","","0.0622","0.0613","","","0.1998","0.201","","","","","","1.133","","","","has coordinates","289439","2024-02-04","11:37:07",""
"7247927","28.4445","0.0005","28.4445","0.0005","7.8224","0.0001","90","","90","","120","","5481.09","0.15","295.15","","295.15","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C8 H3 Cl O4 Zn -","- C8 H3 Cl O4 Zn -","- C144 H54 Cl18 O72 Zn18 -","18","0.5","","Meekel, Emily G.; Nicholas, Thomas C.; Slater, Ben; Goodwin, Andrew L.","Torsional flexibility in zinc-benzenedicarboxylate metal-organic frameworks.","CrystEngComm","2024","26","5","673","680","10.1039/d3ce01078c","","","1.54184","CuKα","","0.0515","0.0492","","","0.1553","0.1576","","","","","","1.124","","","","has coordinates","289439","2024-02-04","11:37:07",""
"7247928","11.0562","0.0002","12.6155","0.0002","15.2102","0.0003","90","","90","","90","","2121.51","0.07","295.15","","295.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H8 O5 Zn -","- C10 H8 O5 Zn -","- C80 H64 O40 Zn8 -","8","2","","Meekel, Emily G.; Nicholas, Thomas C.; Slater, Ben; Goodwin, Andrew L.","Torsional flexibility in zinc-benzenedicarboxylate metal-organic frameworks.","CrystEngComm","2024","26","5","673","680","10.1039/d3ce01078c","","","0.71073","MoKα","","0.0392","0.0307","","","0.0733","0.0761","","","","","","1.056","","","","has coordinates","289439","2024-02-04","11:37:07",""
"7247929","28.5799","0.0004","28.5799","0.0004","8.0913","0.0001","90","","90","","120","","5723.61","0.13","290.15","","290.15","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C8 H3 I O4 Zn -","- C8 H3 I O4 Zn -","- C144 H54 I18 O72 Zn18 -","18","0.5","","Meekel, Emily G.; Nicholas, Thomas C.; Slater, Ben; Goodwin, Andrew L.","Torsional flexibility in zinc-benzenedicarboxylate metal-organic frameworks.","CrystEngComm","2024","26","5","673","680","10.1039/d3ce01078c","","","1.54184","CuKα","","0.067","0.0666","","","0.2117","0.2121","","","","","","1.118","","","","has coordinates","289439","2024-02-04","11:37:07",""
"7247930","28.4902","0.0004","28.4902","0.0004","7.9073","0.0001","90","","90","","120","","5558.4","0.13","295.01","0.1","295.01","0.1","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C8 H3 Br0.41 Cl0.59 O4 Zn -","- C8 H3 Br0.408 Cl0.592 O4 Zn -","- C144 H54 Br7.344 Cl10.656 O72 Zn18 -","18","0.5","","Meekel, Emily G.; Nicholas, Thomas C.; Slater, Ben; Goodwin, Andrew L.","Torsional flexibility in zinc-benzenedicarboxylate metal-organic frameworks.","CrystEngComm","2024","26","5","673","680","10.1039/d3ce01078c","","x-ray","1.54184","CuKα","","0.056","0.0541","","","0.1769","0.1792","","","","","","1.104","","","","has coordinates,has disorder","289439","2024-02-04","11:37:07",""
"7247932","10.3592","0.0002","10.3592","0.0002","20.7675","0.0008","90","","90","","120","","1930.04","0.09","243","2","243","","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C6 H9 K5 N10 O6 -","- C6 H9 K5 N10.0005 O6 -","- C24 H36 K20 N40.002 O24 -","4","0.333333","","Jiang, Shuaijie; Zhou, Jianxin; Xu, Yuangang; Lin, Qiuhan; Wang, Pengcheng; Lu, Ming","Regulation of the structure and density of KN5 frameworks with CH3COOK and CF3COOK","CrystEngComm","2024","26","7","951","956","10.1039/D3CE01210G","","","0.71073","MoKα","","0.0353","0.0267","","","0.0573","0.0621","","","","","","1.136","","","","has coordinates,has disorder","290149","2024-03-04","20:08:26",""
"7247933","23.7161","0.0016","7.198","0.0007","20.5953","0.0018","90","","90","","90","","3515.8","0.5","170","","170","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 F18 K8 N10 O12 -","- C12 F18 K8 N10 O12 -","- C48 F72 K32 N40 O48 -","4","1","","Jiang, Shuaijie; Zhou, Jianxin; Xu, Yuangang; Lin, Qiuhan; Wang, Pengcheng; Lu, Ming","Regulation of the structure and density of KN5 frameworks with CH3COOK and CF3COOK","CrystEngComm","2024","26","7","951","956","10.1039/D3CE01210G","","","0.71073","MoKα","","0.1244","0.0728","","","0.1817","0.2271","","","","","","1.023","","","","has coordinates,has disorder","290149","2024-03-04","20:08:26",""
"7247947","9.515","0.003","12.609","0.004","11.115","0.004","90","","103.185","0.008","90","","1298.4","0.7","296.25","","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H20 N6 O -","- C10 H20 N6 O -","- C40 H80 N24 O4 -","4","1","","Jiang, Tianyu; Xia, Honglei; Zhang, Wenquan; Cai, Ziwu; Song, Siwei; Liu, Tianlin","Can cage-like cations function as antagonistic ions towards pentazolate anions?","CrystEngComm","2024","26","7","977","984","10.1039/D3CE01168B","","","0.71073","MoKα","","0.1561","0.0596","","","0.1493","0.2125","","","","","","1.01","","","","has coordinates","290153","2024-03-04","20:09:44",""
"7247948","6.2573","0.0006","13.544","0.0013","7.2073","0.0009","90","","92.963","0.011","90","","609.99","0.11","293","2","293.15","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C6 H16 N12 O -","- C6 H16 N12 O -","- C12 H32 N24 O2 -","2","0.5","","Jiang, Tianyu; Xia, Honglei; Zhang, Wenquan; Cai, Ziwu; Song, Siwei; Liu, Tianlin","Can cage-like cations function as antagonistic ions towards pentazolate anions?","CrystEngComm","2024","26","7","977","984","10.1039/D3CE01168B","","","1.54184","CuKα","","0.0718","0.0637","","","0.1799","0.2043","","","","","","1.056","","","","has coordinates","290153","2024-03-04","20:09:44",""
"7247952","5.0351","0.0002","25.7114","0.001","8.667","0.0003","90","","106.89","0.004","90","","1073.63","0.07","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H15 N3 O4 -","- C8 H15 N3 O4 -","- C32 H60 N12 O16 -","4","2","","Fu, Jinqiu; Cai, Mengyang; Shi, Yuzhong; Hou, Yihang; Guo, Rongxi; Wang, Chiyi; Zhao, Jingjing; Zhuang, Wei; Ying, Hanjie; Yang, Pengpeng; Zhang, Keke","Discovery and exploration of new solid forms of dipeptide: l-alanyl-l-glutamine","CrystEngComm","2024","26","7","943","950","10.1039/D3CE00957B","","x-ray","1.54184","CuKα","","0.0561","0.0505","","","0.1278","0.1334","","","","","","1.054","","","","has coordinates,has disorder","290152","2024-03-04","20:09:31",""
"7247953","5.0339","0.0002","16.1821","0.0008","16.2812","0.0007","90","","90","","90","","1326.25","0.1","200","2","200","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H15 N3 O4 -","- C8 H15 N3 O4 -","- C32 H60 N12 O16 -","4","1","","Fu, Jinqiu; Cai, Mengyang; Shi, Yuzhong; Hou, Yihang; Guo, Rongxi; Wang, Chiyi; Zhao, Jingjing; Zhuang, Wei; Ying, Hanjie; Yang, Pengpeng; Zhang, Keke","Discovery and exploration of new solid forms of dipeptide: l-alanyl-l-glutamine","CrystEngComm","2024","26","7","943","950","10.1039/D3CE00957B","","","1.54184","CuKα","","0.044","0.0408","","","0.1029","0.1062","","","","","","1.066","","","","has coordinates","290152","2024-03-04","20:09:31",""
"7247954","4.9438","0.0001","17.0476","0.0003","8.7107","0.0002","90","","105.326","0.002","90","","708.03","0.03","113.15","","113.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H21 N3 O5 S -","- C10 H21 N3 O5 S -","- C20 H42 N6 O10 S2 -","2","1","","Fu, Jinqiu; Cai, Mengyang; Shi, Yuzhong; Hou, Yihang; Guo, Rongxi; Wang, Chiyi; Zhao, Jingjing; Zhuang, Wei; Ying, Hanjie; Yang, Pengpeng; Zhang, Keke","Discovery and exploration of new solid forms of dipeptide: l-alanyl-l-glutamine","CrystEngComm","2024","26","7","943","950","10.1039/D3CE00957B","","x-ray","0.71073","MoKα","","0.0369","0.0338","","","0.0868","0.0886","","","","","","1.044","","","","has coordinates","290152","2024-03-04","20:09:31",""
"7247955","5.024","0.0001","8.6623","0.0003","14.2346","0.0009","96.682","0.004","95.901","0.004","106.738","0.003","583.12","0.05","294.15","","294.15","","","","","","","","","4","P 1","P 1","1","","","","- C16 H30 N6 O8 -","- C16 H30 N6 O8 -","- C16 H30 N6 O8 -","1","1","","Fu, Jinqiu; Cai, Mengyang; Shi, Yuzhong; Hou, Yihang; Guo, Rongxi; Wang, Chiyi; Zhao, Jingjing; Zhuang, Wei; Ying, Hanjie; Yang, Pengpeng; Zhang, Keke","Discovery and exploration of new solid forms of dipeptide: l-alanyl-l-glutamine","CrystEngComm","2024","26","7","943","950","10.1039/D3CE00957B","","x-ray","0.71073","MoKα","","0.0826","0.0771","","","0.2056","0.2189","","","","","","1.084","","","","has coordinates","290152","2024-03-04","20:09:31",""
"7247956","10.066","0.0005","16.1694","0.0007","16.1972","0.0006","90","","90","","90","","2636.3","0.2","113.15","","113.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H21 N3 O5 -","- C10 H21 N3 O5 -","- C80 H168 N24 O40 -","8","2","","Fu, Jinqiu; Cai, Mengyang; Shi, Yuzhong; Hou, Yihang; Guo, Rongxi; Wang, Chiyi; Zhao, Jingjing; Zhuang, Wei; Ying, Hanjie; Yang, Pengpeng; Zhang, Keke","Discovery and exploration of new solid forms of dipeptide: l-alanyl-l-glutamine","CrystEngComm","2024","26","7","943","950","10.1039/D3CE00957B","","x-ray","0.71073","MoKα","","0.0914","0.0587","","","0.1195","0.1375","","","","","","1.03","","","","has coordinates,has disorder","290152","2024-03-04","20:09:31",""
"7247957","5.0124","0.0003","15.2769","0.001","16.3628","0.001","90","","90","","90","","1252.96","0.13","294.15","","294.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H19 N3 O6 -","- C8 H19 N3 O6 -","- C32 H76 N12 O24 -","4","1","","Fu, Jinqiu; Cai, Mengyang; Shi, Yuzhong; Hou, Yihang; Guo, Rongxi; Wang, Chiyi; Zhao, Jingjing; Zhuang, Wei; Ying, Hanjie; Yang, Pengpeng; Zhang, Keke","Discovery and exploration of new solid forms of dipeptide: l-alanyl-l-glutamine","CrystEngComm","2024","26","7","943","950","10.1039/D3CE00957B","","x-ray","0.71073","MoKα","","0.0928","0.0559","","","0.11","0.1313","","","","","","1.035","","","","has coordinates,has disorder","290152","2024-03-04","20:09:31",""
"7247958","7.3734","0.0018","10.207","0.002","21.402","0.005","99.812","0.005","98.717","0.005","102.962","0.006","1516.2","0.6","294","2","294","2","","","","","","","","5","P -1","-P 1","2","Domperidone nicotinate hydrate","Domperidone nicotinate hydrate","","- C28 H33 Cl N6 O6.81 -","- C28 H33 Cl N6 O6.805 -","- C56 H66 Cl2 N12 O13.61 -","2","1","","Nechipadappu, Sunil Kumar; Swain, Debasish","New drug–drug and drug–nutraceutical salts of anti-emetic drug domperidone: structural and physicochemical aspects of new salts","CrystEngComm","2024","26","7","926","942","10.1039/D3CE01000G","","","0.71073","MoKα","","0.1265","0.0585","","","0.1594","0.2079","","","","","","1.016","","","","has coordinates,has disorder","290150","2024-03-04","20:08:39",""
"7247959","9.3478","0.0002","12.5278","0.0002","25.5542","0.0004","90","","91.676","0.001","90","","2991.3","0.09","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Domperidone mandelate dihydrate","Domperidone mandelate dihydrate","","- C30 H36 Cl N5 O7 -","- C30 H36 Cl N5 O7 -","- C120 H144 Cl4 N20 O28 -","4","1","","Nechipadappu, Sunil Kumar; Swain, Debasish","New drug–drug and drug–nutraceutical salts of anti-emetic drug domperidone: structural and physicochemical aspects of new salts","CrystEngComm","2024","26","7","926","942","10.1039/D3CE01000G","","","0.71073","MoKα","","0.1754","0.0588","","","0.1392","0.1928","","","","","","0.943","","","","has coordinates,has disorder","290150","2024-03-04","20:08:39",""
"7247960","9.454","0.002","12.248","0.003","12.77","0.003","90.05","0.007","107.616","0.006","98.32","0.006","1392.9","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Domperidone mandelate","Domperidone mandelate","","- C30 H32.24 Cl N5 O5 -","- C30 H32.237 Cl N5 O5 -","- C60 H64.474 Cl2 N10 O10 -","2","1","","Nechipadappu, Sunil Kumar; Swain, Debasish","New drug–drug and drug–nutraceutical salts of anti-emetic drug domperidone: structural and physicochemical aspects of new salts","CrystEngComm","2024","26","7","926","942","10.1039/D3CE01000G","","","0.71073","MoKα","","0.1641","0.0666","","","0.1591","0.2057","","","","","","1.029","","","","has coordinates,has disorder","290150","2024-03-04","20:08:39",""
"7247961","7.5379","0.0004","11.3926","0.0006","15.869","0.0008","99.679","0.002","102.801","0.002","91.935","0.002","1306.4","0.12","294","2","294","2","","","","","","","","5","P -1","-P 1","2","Domperidone orotate","Domperidone orotate","","- C27 H28 Cl N7 O6 -","- C27 H28 Cl N7 O6 -","- C54 H56 Cl2 N14 O12 -","2","1","","Nechipadappu, Sunil Kumar; Swain, Debasish","New drug–drug and drug–nutraceutical salts of anti-emetic drug domperidone: structural and physicochemical aspects of new salts","CrystEngComm","2024","26","7","926","942","10.1039/D3CE01000G","","","0.71073","MoKα","","0.1688","0.0545","","","0.1162","0.1545","","","","","","0.927","","","","has coordinates","290150","2024-03-04","20:08:39",""
"7247962","7.4744","0.0002","10.1384","0.0002","21.5088","0.0005","102.006","0.0007","94.2351","0.0008","104.624","0.0009","1528.79","0.06","294","2","294","2","","","","","","","","5","P -1","-P 1","2","Domperidone salicylate hydrate","Domperidone salicylate hydrate","","- C58 H70 Cl2 N10 O15 -","- C58 H70 Cl2 N10 O15 -","- C58 H70 Cl2 N10 O15 -","1","0.5","","Nechipadappu, Sunil Kumar; Swain, Debasish","New drug–drug and drug–nutraceutical salts of anti-emetic drug domperidone: structural and physicochemical aspects of new salts","CrystEngComm","2024","26","7","926","942","10.1039/D3CE01000G","","","0.71073","MoKα","","0.1703","0.0572","","","0.1423","0.1751","","","","","","1.014","","","","has coordinates","290150","2024-03-04","20:08:39",""
"7247963","7.3045","0.0002","10.2362","0.0002","21.8241","0.0005","80.9935","0.0007","82.5939","0.0007","79.5884","0.0007","1576.61","0.06","294","2","294","2","","","","","","","","5","P -1","-P 1","2","Domperidone mandelate hydrate","Domperidone mandelate hydrate","","- C30 H36 Cl N5 O7.27 -","- C30 H36 Cl N5 O7.268 -","- C60 H72 Cl2 N10 O14.536 -","2","1","","Nechipadappu, Sunil Kumar; Swain, Debasish","New drug–drug and drug–nutraceutical salts of anti-emetic drug domperidone: structural and physicochemical aspects of new salts","CrystEngComm","2024","26","7","926","942","10.1039/D3CE01000G","","","0.71073","MoKα","","0.1624","0.053","","","0.1446","0.1887","","","","","","0.982","","","","has coordinates","290150","2024-03-04","20:08:39",""
"7247964","14.471","0.005","17.466","0.006","11.749","0.004","90","","92.939","0.006","90","","2965.7","1.8","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Domperidone nicotinate hydrate","Domperidone nicotinate hydrate","","- C56 H66 Cl2 N12 O13 -","- C56 H66 Cl2 N12 O13 -","- C112 H132 Cl4 N24 O26 -","2","0.5","","Nechipadappu, Sunil Kumar; Swain, Debasish","New drug–drug and drug–nutraceutical salts of anti-emetic drug domperidone: structural and physicochemical aspects of new salts","CrystEngComm","2024","26","7","926","942","10.1039/D3CE01000G","","","0.71073","MoKα","","0.1473","0.0687","","","0.1861","0.2394","","","","","","1.015","","","","has coordinates,has disorder","290150","2024-03-04","20:08:39",""
"7247965","9.7232","0.0002","9.501","0.0002","31.7204","0.0005","90","","92.0116","0.0007","90","","2928.53","0.1","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Domperidone aspirin","Domperidone aspirin","","- C31 H32 Cl N5 O6 -","- C31 H32 Cl N5 O6 -","- C124 H128 Cl4 N20 O24 -","4","1","","Nechipadappu, Sunil Kumar; Swain, Debasish","New drug–drug and drug–nutraceutical salts of anti-emetic drug domperidone: structural and physicochemical aspects of new salts","CrystEngComm","2024","26","7","926","942","10.1039/D3CE01000G","","","0.71073","MoKα","","0.0894","0.0532","","","0.1297","0.1508","","","","","","1.045","","","","has coordinates","290150","2024-03-04","20:08:39",""
"7247967","12.4945","0.0001","12.4945","0.0001","12.4945","0.0001","90","","90","","90","","1950.55","0.03","293","2","293","2","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","","","","- Ca2.855 Ga3.045 Nb1.665 O12 Yb0.0325 -","- Ca2.8548 Ga3.0444 Nb1.665 O12 Yb0.0324 -","- Ca22.8384 Ga24.3552 Nb13.32 O96 Yb0.2592 -","8","0.0833333","","Li, Xiaoheng; Lu, Dazhi; Wang, Shuxian; Wu, Kui; Yu, Haohai; Li, Jing; Zhang, Huaijin","Growth of 60 mm-diameter Yb:CNGG single crystals with disordered coordination structure for high-energy laser systems","CrystEngComm","2024","26","5","697","703","10.1039/D3CE01151H","","","0.71073","MoKα","","0.0179","0.0178","","","0.0558","0.0559","","","","","","1.046","","","","has coordinates","289441","2024-02-04","11:37:27",""
"7247968","10.196","0.005","12.292","0.005","13.672","0.005","71.38","0.005","73.265","0.005","66.095","0.005","1459.4","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H22 Cu N6 O8 -","- C23 H22 Cu N6 O8 -","- C46 H44 Cu2 N12 O16 -","2","1","","Oliveira, Willian X. C.; Pinheiro, Carlos B.; Journaux, Yves; Julve, Miguel; Pereira, Cynthia L. M.","Effects on the magnetic interaction caused by molecular recognition in complexes of 1,2-azole-based oxamate and [Cu(bpca)]+ units","CrystEngComm","2024","26","5","647","665","10.1039/D3CE01180A","","","0.71073","MoKα","","0.0395","0.0336","","","0.087","0.0908","","","","","","1.096","","","","has coordinates","289436","2024-02-04","11:36:30",""
"7247969","10.18","0.001","10.728","0.001","19.078","0.0013","85.594","0.007","77.042","0.007","81.97","0.008","2008.3","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H34 Cu2 N10 O13 -","- C37 H34 Cu2 N10 O13 -","- C74 H68 Cu4 N20 O26 -","2","1","","Oliveira, Willian X. C.; Pinheiro, Carlos B.; Journaux, Yves; Julve, Miguel; Pereira, Cynthia L. M.","Effects on the magnetic interaction caused by molecular recognition in complexes of 1,2-azole-based oxamate and [Cu(bpca)]+ units","CrystEngComm","2024","26","5","647","665","10.1039/D3CE01180A","","","0.71073","MoKα","","0.0774","0.0584","","","0.1584","0.1773","","","","","","1.033","","","","has coordinates,has disorder","289436","2024-02-04","11:36:30",""
"7247970","9.6099","0.0006","23.7989","0.0016","11.1127","0.0007","90","","96.2","0.006","90","","2526.7","0.3","280","2","280","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 Cu N6 O7 -","- C25 H24 Cu N6 O7 -","- C100 H96 Cu4 N24 O28 -","4","1","","Oliveira, Willian X. C.; Pinheiro, Carlos B.; Journaux, Yves; Julve, Miguel; Pereira, Cynthia L. M.","Effects on the magnetic interaction caused by molecular recognition in complexes of 1,2-azole-based oxamate and [Cu(bpca)]+ units","CrystEngComm","2024","26","5","647","665","10.1039/D3CE01180A","","","0.71073","MoKα","","0.0685","0.0469","","","0.1041","0.1141","","","","","","1.041","","","","has coordinates","289436","2024-02-04","11:36:30",""
"7247971","14.3344","0.0008","9.9511","0.0004","34.0401","0.0015","90","","96.508","0.005","90","","4824.3","0.4","120","2","120","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C47 H35 Cu2 N12 O14.48 -","- C47 H35 Cu2 N12 O14.464 -","- C188 H140 Cu8 N48 O57.856 -","4","1","","Oliveira, Willian X. C.; Pinheiro, Carlos B.; Journaux, Yves; Julve, Miguel; Pereira, Cynthia L. M.","Effects on the magnetic interaction caused by molecular recognition in complexes of 1,2-azole-based oxamate and [Cu(bpca)]+ units","CrystEngComm","2024","26","5","647","665","10.1039/D3CE01180A","","","0.71073","MoKα","","0.0845","0.0692","","","0.1647","0.175","","","","","","1.088","","","","has coordinates,has disorder","289436","2024-02-04","11:36:30",""
"7247972","9.2705","0.0004","10.1686","0.0005","20.8317","0.0012","81.868","0.004","82.682","0.004","86.369","0.004","1926.13","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H22 Cu2 N8 O8 -","- C35 H22 Cu2 N8 O8 -","- C70 H44 Cu4 N16 O16 -","2","1","","Oliveira, Willian X. C.; Pinheiro, Carlos B.; Journaux, Yves; Julve, Miguel; Pereira, Cynthia L. M.","Effects on the magnetic interaction caused by molecular recognition in complexes of 1,2-azole-based oxamate and [Cu(bpca)]+ units","CrystEngComm","2024","26","5","647","665","10.1039/D3CE01180A","","","1.54184","CuKα","","0.0824","0.0562","","","0.1318","0.1439","","","","","","0.985","","","","has coordinates,has disorder","289436","2024-02-04","11:36:30",""
"7247973","25.3903","0.0015","14.1304","0.0006","9.1996","0.0006","90","","99.658","0.005","90","","3253.8","0.3","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H9 Br Hg I2 N2 O -","- C12 H9 Br Hg I2 N2 O -","- C96 H72 Br8 Hg8 I16 N16 O8 -","8","1","","Amani, Vahid; Esmaeili, Maryam; Norouzi, Fataneh; Khavasi, Hamid Reza","A strategy for obtaining isostructurality despite structural diversity in coordination compounds","CrystEngComm","2024","26","4","543","556","10.1039/D3CE01106B","","","0.71073","MoKα","","0.0862","0.064","","","0.1406","0.1517","","","","","","1.023","","","","has coordinates","289444","2024-02-04","11:38:30",""
"7247974","22.68","0.002","4.9699","0.0003","27.573","0.003","90","","123.819","0.007","90","","2582.1","0.4","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 Br2 Cl2 Hg N4 O2 -","- C24 H18 Br2 Cl2 Hg N4 O2 -","- C96 H72 Br8 Cl8 Hg4 N16 O8 -","4","0.5","","Amani, Vahid; Esmaeili, Maryam; Norouzi, Fataneh; Khavasi, Hamid Reza","A strategy for obtaining isostructurality despite structural diversity in coordination compounds","CrystEngComm","2024","26","4","543","556","10.1039/D3CE01106B","","","0.71073","MoKα","","0.0956","0.0763","","","0.1102","0.1248","","","","","","1.004","","","","has coordinates","289444","2024-02-04","11:38:30",""
"7247975","4.5421","0.0003","21.7134","0.0019","19.3708","0.0013","90","","92.541","0.006","90","","1908.6","0.2","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 Hg3 I8 N4 O2 -","- C24 H18 Hg3 I8 N4 O2 -","- C48 H36 Hg6 I16 N8 O4 -","2","0.5","","Amani, Vahid; Esmaeili, Maryam; Norouzi, Fataneh; Khavasi, Hamid Reza","A strategy for obtaining isostructurality despite structural diversity in coordination compounds","CrystEngComm","2024","26","4","543","556","10.1039/D3CE01106B","","","0.71073","MoKα","","0.0815","0.064","","","0.1055","0.1276","","","","","","0.912","","","","has coordinates","289444","2024-02-04","11:38:30",""
"7247976","4.5326","0.0004","21.434","0.0012","19.1582","0.0016","90","","92.076","0.007","90","","1860","0.2","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 Br2 Hg3 I6 N4 O2 -","- C24 H18 Br2 Hg3 I6 N4 O2 -","- C48 H36 Br4 Hg6 I12 N8 O4 -","2","0.5","","Amani, Vahid; Esmaeili, Maryam; Norouzi, Fataneh; Khavasi, Hamid Reza","A strategy for obtaining isostructurality despite structural diversity in coordination compounds","CrystEngComm","2024","26","4","543","556","10.1039/D3CE01106B","","","0.71073","MoKα","","0.08","0.0528","","","0.1174","0.1283","","","","","","1.028","","","","has coordinates","289444","2024-02-04","11:38:30",""
"7247977","38.52","0.007","4.8018","0.0008","14.841","0.002","90","","100.118","0.013","90","","2702.4","0.8","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 Cl2 Hg I2 N4 O2 -","- C24 H18 Cl2 Hg I2 N4 O2 -","- C96 H72 Cl8 Hg4 I8 N16 O8 -","4","0.5","","Amani, Vahid; Esmaeili, Maryam; Norouzi, Fataneh; Khavasi, Hamid Reza","A strategy for obtaining isostructurality despite structural diversity in coordination compounds","CrystEngComm","2024","26","4","543","556","10.1039/D3CE01106B","","","0.71073","MoKα","","0.1476","0.0719","","","0.1196","0.1426","","","","","","0.909","","","","has coordinates","289444","2024-02-04","11:38:30",""
"7247978","25.08","0.006","14.097","0.004","9.2","0.002","90","","100.394","0.018","90","","3199.3","1.4","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H9 Cl Hg I2 N2 O -","- C12 H9 Cl Hg I2 N2 O -","- C96 H72 Cl8 Hg8 I16 N16 O8 -","8","1","","Amani, Vahid; Esmaeili, Maryam; Norouzi, Fataneh; Khavasi, Hamid Reza","A strategy for obtaining isostructurality despite structural diversity in coordination compounds","CrystEngComm","2024","26","4","543","556","10.1039/D3CE01106B","","","0.71073","MoKα","","0.0986","0.0861","","","0.1658","0.1952","","","","","","0.895","","","","has coordinates","289444","2024-02-04","11:38:30",""
"7247979","24.3489","0.0018","4.92","0.0006","28.395","0.002","90","","125.751","0.004","90","","2760.6","0.5","294","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 Br2 Hg I2 N4 O2 -","- C24 H18 Br2 Hg I2 N4 O2 -","- C96 H72 Br8 Hg4 I8 N16 O8 -","4","0.5","","Amani, Vahid; Esmaeili, Maryam; Norouzi, Fataneh; Khavasi, Hamid Reza","A strategy for obtaining isostructurality despite structural diversity in coordination compounds","CrystEngComm","2024","26","4","543","556","10.1039/D3CE01106B","","","0.71073","MoKα","","0.0772","0.0489","","","0.1203","0.128","","","","","","0.885","","","","has coordinates","289444","2024-02-04","11:38:30",""
"7247980","23.569","0.003","4.9189","0.0004","27.722","0.003","90","","124.465","0.007","90","","2649.8","0.5","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 Br4 Hg N4 O2 -","- C24 H18 Br4 Hg N4 O2 -","- C96 H72 Br16 Hg4 N16 O8 -","4","0.5","","Amani, Vahid; Esmaeili, Maryam; Norouzi, Fataneh; Khavasi, Hamid Reza","A strategy for obtaining isostructurality despite structural diversity in coordination compounds","CrystEngComm","2024","26","4","543","556","10.1039/D3CE01106B","","","0.71073","MoKα","","0.0909","0.0705","","","0.1562","0.1761","","","","","","1.011","","","","has coordinates","289444","2024-02-04","11:38:30",""
"7247981","23.266","0.003","4.9212","0.0004","27.288","0.003","90","","124.251","0.008","90","","2582.6","0.5","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 Br2 Cl2 Hg N4 O2 -","- C24 H18 Br2 Cl2 Hg N4 O2 -","- C96 H72 Br8 Cl8 Hg4 N16 O8 -","4","0.5","","Amani, Vahid; Esmaeili, Maryam; Norouzi, Fataneh; Khavasi, Hamid Reza","A strategy for obtaining isostructurality despite structural diversity in coordination compounds","CrystEngComm","2024","26","4","543","556","10.1039/D3CE01106B","","","0.71073","MoKα","","0.1017","0.0701","","","0.168","0.1853","","","","","","0.971","","","","has coordinates","289444","2024-02-04","11:38:30",""
"7247982","4.5347","0.0004","21.3006","0.0012","19.0448","0.0015","90","","91.533","0.007","90","","1838.9","0.2","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 Cl2 Hg3 I6 N4 O2 -","- C24 H18 Cl2 Hg3 I6 N4 O2 -","- C48 H36 Cl4 Hg6 I12 N8 O4 -","2","0.5","","Amani, Vahid; Esmaeili, Maryam; Norouzi, Fataneh; Khavasi, Hamid Reza","A strategy for obtaining isostructurality despite structural diversity in coordination compounds","CrystEngComm","2024","26","4","543","556","10.1039/D3CE01106B","","","0.71073","MoKα","","0.915","0.0906","","","0.1101","0.1419","","","","","","0.939","","","","has coordinates","289444","2024-02-04","11:38:30",""
"7247983","8.0015","0.0012","9.2079","0.0013","12.4641","0.0018","98.279","0.012","100.092","0.012","108.027","0.011","840.2","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H18 Hg2 I6 N8 O4 -","- C20 H18 Hg2 I6 N8 O4 -","- C20 H18 Hg2 I6 N8 O4 -","1","0.5","","Amani, Vahid; Esmaeili, Maryam; Norouzi, Fataneh; Khavasi, Hamid Reza","A strategy for obtaining isostructurality despite structural diversity in coordination compounds","CrystEngComm","2024","26","4","543","556","10.1039/D3CE01106B","","","0.71073","MoKα","","0.0857","0.0627","","","0.1611","0.1713","","","","","","0.926","","","","has coordinates","289444","2024-02-04","11:38:30",""
"7247984","5.1554","0.0001","8.9641","0.0003","9.1377","0.0004","100.539","0.003","104.874","0.003","90.936","0.002","400.36","0.02","168","2","168","2","","","","","","","","5","P -1","-P 1","2","sodiun zincophosphate chloride","","","- Cl0.5 Na4.5 O8 P2 Zn -","- Cl0.5 Na4.5 O8 P2 Zn -","- Cl Na9 O16 P4 Zn2 -","2","1","","Yakubovich, Olga; Kiriukhina, Galina; Volkov, Anatoly; Simonov, Sergey; Yapaskurt, Vasiliy; Dimitrova, Olga","Crystal chemistry and predicted ionic conductivity of hydrothermally synthesized Na9Zn2(PO4)4Cl","CrystEngComm","2024","26","6","848","855","10.1039/D3CE01242E","","","0.71073","MoKα","","0.0175","0.0167","","","0.045","0.0454","","","","","","1.188","","","","has coordinates","290146","2024-03-04","20:07:47",""
"7247989","15.6078","0.0008","19.1265","0.001","24.1307","0.0008","90","","110.387","0.002","90","","6752.3","0.5","188","","188","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H84 N7 O19 Tb Zn2 -","- C66 H80 N7 O19 Tb Zn2 -","- C264 H320 N28 O76 Tb4 Zn8 -","4","1","","Takahara, Kazuma; Horino, Yuki; Wada, Koki; Sakata, Hiromu; Tomita, Daichi; Sunatsuki, Yukinari; Isobe, Hiroshi; Kojima, Masaaki; Suzuki, Takayoshi","The effect of solvent molecules on crystallisation of heterotrinuclear MII–TbIII–MII complexes with tripodal nonadentate ligands","CrystEngComm","2024","26","7","1004","1014","10.1039/D3CE01192E","","","0.71075","MoKα","","0.041","0.0366","","","0.0997","0.1022","","","","","","1.036","","","","has coordinates","290151","2024-03-04","20:09:12",""
"7247990","12.3634","0.0007","18.1775","0.0011","16.4172","0.0008","90","","100.662","0.0019","90","","3625.8","0.3","191","","191","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C62 H64 Cl12 Mn2 N7 O15 Tb -","- C62 H60 Cl12 Mn2 N7 O15 Tb -","- C124 H120 Cl24 Mn4 N14 O30 Tb2 -","2","1","","Takahara, Kazuma; Horino, Yuki; Wada, Koki; Sakata, Hiromu; Tomita, Daichi; Sunatsuki, Yukinari; Isobe, Hiroshi; Kojima, Masaaki; Suzuki, Takayoshi","The effect of solvent molecules on crystallisation of heterotrinuclear MII–TbIII–MII complexes with tripodal nonadentate ligands","CrystEngComm","2024","26","7","1004","1014","10.1039/D3CE01192E","","","0.71075","MoKα","","0.0465","0.0425","","","0.104","0.1075","","","","","","1.043","","","","has coordinates","290151","2024-03-04","20:09:19",""
"7247991","12.3427","0.0011","18.1743","0.0013","16.3681","0.0014","90","","100.677","0.003","90","","3608.1","0.5","192","","192","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C62 H64 Cl12 Mn2 N7 O15 Tb -","- C62 H60 Cl12 Mn2 N7 O15 Tb -","- C124 H120 Cl24 Mn4 N14 O30 Tb2 -","2","1","","Takahara, Kazuma; Horino, Yuki; Wada, Koki; Sakata, Hiromu; Tomita, Daichi; Sunatsuki, Yukinari; Isobe, Hiroshi; Kojima, Masaaki; Suzuki, Takayoshi","The effect of solvent molecules on crystallisation of heterotrinuclear MII–TbIII–MII complexes with tripodal nonadentate ligands","CrystEngComm","2024","26","7","1004","1014","10.1039/D3CE01192E","","","0.71075","MoKα","","0.0498","0.0436","","","0.1072","0.1128","","","","","","1.01","","","","has coordinates","290151","2024-03-04","20:09:19",""
"7247992","15.2744","0.0006","15.3918","0.0005","26.2915","0.0009","90","","90","","90","","6181.1","0.4","188","","188","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C60 H64 Cl4 N7 O15 Tb Zn2 -","- C60 H64 Cl4 N7 O15 Tb Zn2 -","- C240 H256 Cl16 N28 O60 Tb4 Zn8 -","4","1","","Takahara, Kazuma; Horino, Yuki; Wada, Koki; Sakata, Hiromu; Tomita, Daichi; Sunatsuki, Yukinari; Isobe, Hiroshi; Kojima, Masaaki; Suzuki, Takayoshi","The effect of solvent molecules on crystallisation of heterotrinuclear MII–TbIII–MII complexes with tripodal nonadentate ligands","CrystEngComm","2024","26","7","1004","1014","10.1039/D3CE01192E","","","0.71075","MoKα","","0.0292","0.0273","","","0.0624","0.0632","","","","","","1.028","","","","has coordinates","290151","2024-03-04","20:09:19",""
"7247993","12.1126","0.0009","18.5566","0.0014","16.3863","0.0011","90","","98.127","0.002","90","","3646.1","0.5","188","","188","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C62 H64 Cl12 N7 O15 Tb Zn2 -","- C62 H64 Cl12 N7 O15 Tb Zn2 -","- C124 H128 Cl24 N14 O30 Tb2 Zn4 -","2","1","","Takahara, Kazuma; Horino, Yuki; Wada, Koki; Sakata, Hiromu; Tomita, Daichi; Sunatsuki, Yukinari; Isobe, Hiroshi; Kojima, Masaaki; Suzuki, Takayoshi","The effect of solvent molecules on crystallisation of heterotrinuclear MII–TbIII–MII complexes with tripodal nonadentate ligands","CrystEngComm","2024","26","7","1004","1014","10.1039/D3CE01192E","","","0.71075","MoKα","","0.0592","0.0428","","","0.1052","0.1209","","","","","","1.066","","","","has coordinates","290151","2024-03-04","20:09:19",""
"7247994","15.7164","0.0008","15.9773","0.0009","24.5892","0.0012","90","","90","","90","","6174.5","0.6","188","","188","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C61 H72 Mn2 N7 O18 Tb -","- C61 H72 Mn2 N7 O18 Tb -","- C244 H288 Mn8 N28 O72 Tb4 -","4","1","","Takahara, Kazuma; Horino, Yuki; Wada, Koki; Sakata, Hiromu; Tomita, Daichi; Sunatsuki, Yukinari; Isobe, Hiroshi; Kojima, Masaaki; Suzuki, Takayoshi","The effect of solvent molecules on crystallisation of heterotrinuclear MII–TbIII–MII complexes with tripodal nonadentate ligands","CrystEngComm","2024","26","7","1004","1014","10.1039/D3CE01192E","","","0.71075","MoKα","","0.0204","0.0194","","","0.0512","0.0523","","","","","","0.424","","","","has coordinates","290151","2024-03-04","20:09:19",""
"7247995","12.0645","0.0006","18.5409","0.0011","16.4406","0.0008","90","","98.0231","0.0016","90","","3641.5","0.3","192","","192","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C62 H64 Cl12 N7 O15 Tb Zn2 -","- C62 H64 Cl12 N7 O15 Tb Zn2 -","- C124 H128 Cl24 N14 O30 Tb2 Zn4 -","2","1","","Takahara, Kazuma; Horino, Yuki; Wada, Koki; Sakata, Hiromu; Tomita, Daichi; Sunatsuki, Yukinari; Isobe, Hiroshi; Kojima, Masaaki; Suzuki, Takayoshi","The effect of solvent molecules on crystallisation of heterotrinuclear MII–TbIII–MII complexes with tripodal nonadentate ligands","CrystEngComm","2024","26","7","1004","1014","10.1039/D3CE01192E","","","0.71075","MoKα","","0.0846","0.045","","","0.0999","0.1441","","","","","","1.129","","","","has coordinates","290151","2024-03-04","20:09:19",""
"7247996","23.9154","0.0018","17.9234","0.0014","16.4008","0.0011","90","","98.864","0.002","90","","6946.2","0.9","188","","188","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C62 H68 Cl8 Mn2 N7 O15 Tb -","- C62 H68 Cl8 Mn2 N7 O15 Tb -","- C248 H272 Cl32 Mn8 N28 O60 Tb4 -","4","1","","Takahara, Kazuma; Horino, Yuki; Wada, Koki; Sakata, Hiromu; Tomita, Daichi; Sunatsuki, Yukinari; Isobe, Hiroshi; Kojima, Masaaki; Suzuki, Takayoshi","The effect of solvent molecules on crystallisation of heterotrinuclear MII–TbIII–MII complexes with tripodal nonadentate ligands","CrystEngComm","2024","26","7","1004","1014","10.1039/D3CE01192E","","","0.71075","MoKα","","0.0779","0.0589","","","0.1404","0.1498","","","","","","1.065","","","","has coordinates","290151","2024-03-04","20:09:19",""
"7247997","11.8404","0.0017","11.8606","0.0014","14.328","0.002","104.939","0.004","90.305","0.004","117.451","0.004","1707","0.4","188","","188","","","","","","","","","6","P -1","-P 1","2","","","","- C66 H84 Mn2 N7 O19 Tb -","- C66 H80 Mn2 N7 O19 Tb -","- C66 H80 Mn2 N7 O19 Tb -","1","0.5","","Takahara, Kazuma; Horino, Yuki; Wada, Koki; Sakata, Hiromu; Tomita, Daichi; Sunatsuki, Yukinari; Isobe, Hiroshi; Kojima, Masaaki; Suzuki, Takayoshi","The effect of solvent molecules on crystallisation of heterotrinuclear MII–TbIII–MII complexes with tripodal nonadentate ligands","CrystEngComm","2024","26","7","1004","1014","10.1039/D3CE01192E","","","0.71075","MoKα","","0.0253","0.0238","","","0.071","0.0729","","","","","","1.147","","","","has coordinates,has disorder","290151","2024-03-04","20:09:19",""
"7247998","18.4535","0.0008","14.872","0.0005","25.4136","0.0008","90","","115.697","0.002","90","","6284.7","0.4","188","","188","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C60 H64 Cl4 Mn2 N7 O15 Tb -","- C60 H64 Cl4 Mn2 N7 O15 Tb -","- C240 H256 Cl16 Mn8 N28 O60 Tb4 -","4","1","","Takahara, Kazuma; Horino, Yuki; Wada, Koki; Sakata, Hiromu; Tomita, Daichi; Sunatsuki, Yukinari; Isobe, Hiroshi; Kojima, Masaaki; Suzuki, Takayoshi","The effect of solvent molecules on crystallisation of heterotrinuclear MII–TbIII–MII complexes with tripodal nonadentate ligands","CrystEngComm","2024","26","7","1004","1014","10.1039/D3CE01192E","","","0.71075","MoKα","","0.0311","0.0242","","","0.0604","0.0634","","","","","","1.044","","","","has coordinates","290151","2024-03-04","20:09:19",""
"7248001","9.5818","0.0004","10.4568","0.0005","11.5348","0.0005","114.713","0.002","94.029","0.002","96.506","0.002","1034.22","0.08","100","","100","","","","","","","","","7","P -1","-P 1","2","","UmeRitter2","","- C19 H8 F3 Mo N O5 S2 -","- C19 H8 F3 Mo N O5 S2 -","- C38 H16 F6 Mo2 N2 O10 S4 -","2","1","","Streit, Tim-Niclas; Gomila, Rosa M.; Sievers, Robin; Frontera, Antonio; Malischewski, Moritz","CF3-substituted sulfonium cations as efficient chalcogen bond donors towards cyanometalates","CrystEngComm","2024","26","5","594","598","10.1039/D3CE01155K","","","0.71073","MoKα","","0.0243","0.0216","","","0.0541","0.0558","","","","","","1.076","","","","has coordinates","289438","2024-02-04","11:36:51",""
"7248002","18.1737","0.0007","10.1525","0.0003","25.8418","0.0007","90","","90.06","0.002","90","","4768","0.3","100","","100","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","TNSUmeF2","","- C20 H8 Cl2 F5 Mo N O5 S -","- C20 H8 Cl2 F5 Mo N O5 S -","- C160 H64 Cl16 F40 Mo8 N8 O40 S8 -","8","1","","Streit, Tim-Niclas; Gomila, Rosa M.; Sievers, Robin; Frontera, Antonio; Malischewski, Moritz","CF3-substituted sulfonium cations as efficient chalcogen bond donors towards cyanometalates","CrystEngComm","2024","26","5","594","598","10.1039/D3CE01155K","","","0.71073","MoKα","","0.055","0.0462","","","0.0929","0.0966","","","","","","1.185","","","","has coordinates","289438","2024-02-04","11:36:51",""
"7248003","10.1988","0.0004","10.2849","0.0004","13.3894","0.0005","73.18","0.001","85.274","0.002","62.991","0.002","1195.77","0.08","105","","105","","","","","","","","","9","P -1","-P 1","2","","","","- C20 H9 Cl2 F3 Mo0.822 N2 O7 S W0.178 -","- C20 H9 Cl2 F3 Mo0.82222 N2 O7 S W0.17778 -","- C40 H18 Cl4 F6 Mo1.64444 N4 O14 S2 W0.35556 -","2","1","","Streit, Tim-Niclas; Gomila, Rosa M.; Sievers, Robin; Frontera, Antonio; Malischewski, Moritz","CF3-substituted sulfonium cations as efficient chalcogen bond donors towards cyanometalates","CrystEngComm","2024","26","5","594","598","10.1039/D3CE01155K","","","0.71073","MoKα","","0.0444","0.0366","","","0.0966","0.1096","","","","","","1.1098","","","","has coordinates,has disorder","289438","2024-02-04","11:36:51",""
"7248004","7.9881","0.0008","6.0289","0.0004","9.0193","0.001","90","","100.291","0.009","90","","427.38","0.07","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C3 F2 I -","- C3 F2 I -","- C12 F8 I4 -","4","1","","Ohtsuka, Naoya; Ota, Hino; Sugiura, Satoshi; Kakinuma, Shuya; Sugiyama, Haruki; Suzuki, Toshiyasu; Momiyama, Norie","Perfluorohalogenated naphthalenes: synthesis, crystal structure, and intermolecular interaction","CrystEngComm","2024","26","6","764","772","10.1039/D3CE01124K","","","0.71073","MoKα","","0.0361","0.0327","","","0.0818","0.0848","","","","","","1.08","","","","has coordinates","290145","2024-03-04","20:07:41",""
"7248005","43.551","0.0012","4.45154","0.00019","11.3608","0.0004","90","","90.067","0.003","90","","2202.51","0.14","123","","123","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C10 F6 I2 -","- C10 F6 I2 -","- C80 F48 I16 -","8","2","","Ohtsuka, Naoya; Ota, Hino; Sugiura, Satoshi; Kakinuma, Shuya; Sugiyama, Haruki; Suzuki, Toshiyasu; Momiyama, Norie","Perfluorohalogenated naphthalenes: synthesis, crystal structure, and intermolecular interaction","CrystEngComm","2024","26","6","764","772","10.1039/D3CE01124K","","x-ray","0.71073","MoKα","","0.1114","0.0956","","","0.2158","0.2243","","","","","","1.167","","","","has coordinates,has disorder","290145","2024-03-04","20:07:41",""
"7248006","10.2667","0.0009","6.0444","0.0004","8.9912","0.0006","90","","94.075","0.007","90","","556.55","0.07","113","","113","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 F6 I2 -","- C10 F6 I2 -","- C20 F12 I4 -","2","0.5","","Ohtsuka, Naoya; Ota, Hino; Sugiura, Satoshi; Kakinuma, Shuya; Sugiyama, Haruki; Suzuki, Toshiyasu; Momiyama, Norie","Perfluorohalogenated naphthalenes: synthesis, crystal structure, and intermolecular interaction","CrystEngComm","2024","26","6","764","772","10.1039/D3CE01124K","","","0.71073","MoKα","","0.0433","0.0332","","","0.0711","0.0755","","","","","","1.055","","","","has coordinates","290145","2024-03-04","20:07:41",""
"7248013","6.6611","0.0007","36.847","0.003","6.6223","0.0008","90","","91.048","0.009","90","","1625.1","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Ga3 K3 S20 Si7 -","- Ga3 K3 S20 Si7 -","- Ga6 K6 S40 Si14 -","2","0.5","","Liu, Jia-Ting; Ablez, Abdusalam; Hu, Qian-Qian; Tang, Jun-Hao; Lv, Chuan; Yang, Lu; Feng, Mei-Ling; Huang, Xiao-Ying","Alkali halide flux synthesis, crystal structure, and photoelectric response of quaternary thiosilicates K3Ga3Si7S20 and K2ZnSi3S8","CrystEngComm","2024","26","5","691","696","10.1039/D3CE00960B","","","0.71073","MoKα","","0.0967","0.0549","","","0.0955","0.1117","","","","","","1.044","","","","has coordinates","289437","2024-02-04","11:36:37",""
"7248014","6.9955","0.0009","7.4508","0.0009","14.2302","0.0014","87.204","0.009","81.546","0.009","69.495","0.011","687.16","0.15","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","","","- K2 S8 Si3 Zn -","- K2 S8 Si3 Zn -","- K4 S16 Si6 Zn2 -","2","1","","Liu, Jia-Ting; Ablez, Abdusalam; Hu, Qian-Qian; Tang, Jun-Hao; Lv, Chuan; Yang, Lu; Feng, Mei-Ling; Huang, Xiao-Ying","Alkali halide flux synthesis, crystal structure, and photoelectric response of quaternary thiosilicates K3Ga3Si7S20 and K2ZnSi3S8","CrystEngComm","2024","26","5","691","696","10.1039/D3CE00960B","","","0.71073","MoKα","","0.0818","0.0573","","","0.116","0.1294","","","","","","1.122","","","","has coordinates","289437","2024-02-04","11:36:37",""
"7248022","17.513","0.004","14.247","0.003","14.249","0.003","90","","112.7","0.03","90","","3279.8","1.4","223","2","223","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C33 H34 N6 O11 Zn -","- C33 H34 N6 O11 Zn -","- C132 H136 N24 O44 Zn4 -","4","1","","Kim, Gyeongmin; Han, Jihun; Kim, Dongwon; Jung, Ok-Sang","Construction and catalytic effects of solvent- and metal(ii)-dependent products: the process of transformation of 0D structures into 3D structures","CrystEngComm","2024","26","7","918","925","10.1039/D3CE01298K","","","0.63","synchrotron","","0.037","0.0332","","","0.0841","0.0853","","","","","","1.077","","","","has coordinates","290148","2024-03-04","20:08:08",""
"7248023","14.608","0.002","14.608","0.002","24.244","0.005","90","","90","","120","","4480.4","1.3","153","2","153","2","","","","","","","","5","P -3","-P 3","147","","","","- C74 H84 N14 Ni3 O31 -","- C66 H60 N12 Ni3 O24 -","- C132 H120 N24 Ni6 O48 -","2","0.333333","","Kim, Gyeongmin; Han, Jihun; Kim, Dongwon; Jung, Ok-Sang","Construction and catalytic effects of solvent- and metal(ii)-dependent products: the process of transformation of 0D structures into 3D structures","CrystEngComm","2024","26","7","918","925","10.1039/D3CE01298K","","","0.7","synchrotron","","0.1829","0.1458","","","0.3727","0.4034","","","","","","1.389","","","","has coordinates","290148","2024-03-04","20:08:16",""
"7248024","11.732","0.002","23.592","0.005","14.243","0.003","90","","111.45","0.03","90","","3669.1","1.5","153","2","153","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C70 H66 N16 O24 Zn3 -","- C70 H66 N15.999 O23.997 Zn3 -","- C140 H132 N31.998 O47.994 Zn6 -","2","0.5","","Kim, Gyeongmin; Han, Jihun; Kim, Dongwon; Jung, Ok-Sang","Construction and catalytic effects of solvent- and metal(ii)-dependent products: the process of transformation of 0D structures into 3D structures","CrystEngComm","2024","26","7","918","925","10.1039/D3CE01298K","","","0.7","synchrotron","","0.1247","0.0766","","","0.2322","0.2678","","","","","","1.072","","","","has coordinates,has disorder","290148","2024-03-04","20:08:17",""
"7248025","21.1949","0.0018","18.9263","0.0018","22.497","0.002","90","","105.855","0.002","90","","8681.1","1.4","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C82 H84 Cu3 N14 O26 -","- C82 H82 Cu3 N14 O26 -","- C328 H328 Cu12 N56 O104 -","4","1","","Kim, Gyeongmin; Han, Jihun; Kim, Dongwon; Jung, Ok-Sang","Construction and catalytic effects of solvent- and metal(ii)-dependent products: the process of transformation of 0D structures into 3D structures","CrystEngComm","2024","26","7","918","925","10.1039/D3CE01298K","","","0.71073","MoKα","","0.1717","0.1061","","","0.2706","0.3305","","","","","","1.075","","","","has coordinates,has disorder","290148","2024-03-04","20:08:17",""
"7248026","17.551","0.004","14.217","0.003","14.235","0.003","90","","112.49","0.03","90","","3281.8","1.4","223","2","223","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C33 H34 Co N6 O11 -","- C33 H34 Co N6 O11 -","- C132 H136 Co4 N24 O44 -","4","1","","Kim, Gyeongmin; Han, Jihun; Kim, Dongwon; Jung, Ok-Sang","Construction and catalytic effects of solvent- and metal(ii)-dependent products: the process of transformation of 0D structures into 3D structures","CrystEngComm","2024","26","7","918","925","10.1039/D3CE01298K","","","0.63","synchrotron","","0.1329","0.0631","","","0.1092","0.1256","","","","","","0.851","","","","has coordinates","290148","2024-03-04","20:08:17",""
"7248027","7.5135","0.0002","12.1526","0.0006","14.5092","0.0004","92.374","0.003","99.647","0.002","96.671","0.003","1294.73","0.08","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C25 H23 I2 N3 O2 Zn -","- C25 H23 I2 N3 O2 Zn -","- C50 H46 I4 N6 O4 Zn2 -","2","1","","Xia, Zhong-Gang; Shi, Yong-Sheng; Xiao, Tong; Zheng, Xiang-Jun","Multi-stimuli responsive behavior of two Zn(ii) complexes based on a Schiff base with high contrast","CrystEngComm","2024","26","7","1015","1021","10.1039/D3CE01214J","","x-ray","0.71073","MoKα","","0.0416","0.0337","","","0.0686","0.0748","","","","","","1.041","","","","has coordinates","290147","2024-03-04","20:07:54",""
"7248028","7.3928","0.0003","11.9818","0.0004","14.0657","0.0004","93.806","0.003","99.114","0.003","95.971","0.003","1219.16","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H23 Br2 N3 O2 Zn -","- C25 H23 Br2 N3 O2 Zn -","- C50 H46 Br4 N6 O4 Zn2 -","2","1","","Xia, Zhong-Gang; Shi, Yong-Sheng; Xiao, Tong; Zheng, Xiang-Jun","Multi-stimuli responsive behavior of two Zn(ii) complexes based on a Schiff base with high contrast","CrystEngComm","2024","26","7","1015","1021","10.1039/D3CE01214J","","","0.71073","MoKα","","0.0499","0.039","","","0.0948","0.1016","","","","","","1.062","","","","has coordinates","290147","2024-03-04","20:07:54",""
"7248033","6.5961","0.0017","7.3355","0.0015","11.576","0.002","97.689","0.009","104.047","0.011","99.886","0.011","526.2","0.2","190","2","190","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H8 N12 O2 -","- C4 H8 N12 O2 -","- C8 H16 N24 O4 -","2","1","","Tang, Mingjie; Yin, Zhaoyang; Zeng, Zhiwei; Dong, Yaqun; Huang, Wei; Liu, Yuji; Tang, Yongxing","A desirable coplanar energetic pentazolate salt driven by hydrogen bonds","CrystEngComm","2024","26","6","748","752","10.1039/D3CE01234D","","","1.54178","CuKα","","0.0391","0.0359","","","0.1013","0.104","","","","","","1.03","","","","has coordinates","290143","2024-03-04","20:07:20",""
"7248034","9.6066","0.0006","19.859","0.0014","4.6599","0.0002","90","","90","","90","","889","0.09","173","2","173.1","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C4 H8 Cl N7 O2 -","- C4 H8 Cl N7 O2 -","- C16 H32 Cl4 N28 O8 -","4","1","","Tang, Mingjie; Yin, Zhaoyang; Zeng, Zhiwei; Dong, Yaqun; Huang, Wei; Liu, Yuji; Tang, Yongxing","A desirable coplanar energetic pentazolate salt driven by hydrogen bonds","CrystEngComm","2024","26","6","748","752","10.1039/D3CE01234D","","","0.71073","MoKα","","0.0399","0.0316","","","0.0612","0.0638","","","","","","1.075","","","","has coordinates","290143","2024-03-04","20:07:21",""
"7248035","8.3969","0.0001","10.2061","0.0001","31.5288","0.0004","90","","90","","90","","2702.01","0.05","212.99","0.1","213.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H38 N2 O7 -","- C31 H38 N2 O7 -","- C124 H152 N8 O28 -","4","1","","Zhu, Yujing; Shi, Xiaoju; Li, Duanxiu; Li, Shuang; Wang, Lin; Deng, Zongwu; Huang, Shaohua; Zhang, Hailu","Sustained release of matrine via salt formation with hesperetin","CrystEngComm","2024","26","8","1090","1098","10.1039/D3CE01129A","","","1.54184","CuKα","","0.0448","0.0417","","","0.1139","0.1201","","","","","","1.099","","","","has coordinates,has disorder","290141","2024-03-04","20:06:37",""
"7248036","11.7266","0.0006","11.7266","0.0006","21.9372","0.0016","90","","90","","90","","3016.7","0.3","150","","150.15","","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","matrine-h2o","","- C15 H27.5 N2 O2.75 -","- C15 H26 N2 O2 -","- C120 H208 N16 O16 -","8","1","","Zhu, Yujing; Shi, Xiaoju; Li, Duanxiu; Li, Shuang; Wang, Lin; Deng, Zongwu; Huang, Shaohua; Zhang, Hailu","Sustained release of matrine via salt formation with hesperetin","CrystEngComm","2024","26","8","1090","1098","10.1039/D3CE01129A","","","1.34139","GaKα","","0.0412","0.0339","","","0.0787","0.0826","","","","","","1.035","","","","has coordinates","290141","2024-03-04","20:06:37",""
"7248040","7.1182","0.0012","22.582","0.004","5.9936","0.001","90","","103.469","0.005","90","","936.9","0.3","296.15","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 Cu F N O4 -","- C9 H8 Cu F N O4 -","- C36 H32 Cu4 F4 N4 O16 -","4","1","","Manurkar, Nagesh; Su, Hao; Arshad, Faiza; Li, Zhongkui; Li, Hui","Construction of MOF-74 analogues through pre-installation of functional ligands: efficient directional functionalization and properties","CrystEngComm","2024","26","11","1540","1549","10.1039/D4CE00008K","","","0.71073","MoKα","","0.0488","0.0324","","","0.0724","0.078","","","","","","1.058","","","","has coordinates","290898","2024-04-04","23:09:45",""
"7248041","26.796","0.005","26.796","0.005","7.4941","0.0014","90","","90","","120","","4660","1.5","296","2","296.15","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C9 H6 Cu I N O3 -","- C9 H6 Cu I N O3 -","- C162 H108 Cu18 I18 N18 O54 -","18","1","","Manurkar, Nagesh; Su, Hao; Arshad, Faiza; Li, Zhongkui; Li, Hui","Construction of MOF-74 analogues through pre-installation of functional ligands: efficient directional functionalization and properties","CrystEngComm","2024","26","11","1540","1549","10.1039/D4CE00008K","","","0.71073","MoKα","","0.0386","0.0309","","","0.0783","0.0845","","","","","","1.045","","","","has coordinates","290898","2024-04-04","23:09:46",""
"7248042","26.8602","0.0006","26.8602","0.0006","7.2007","0.0005","90","","90","","120","","4499.1","0.3","296","2","296.15","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C9 H6 Br Cu N O3.056 -","- C9 H6 Br Cu N O3.05556 -","- C162 H108 Br18 Cu18 N18 O55.0001 -","18","1","","Manurkar, Nagesh; Su, Hao; Arshad, Faiza; Li, Zhongkui; Li, Hui","Construction of MOF-74 analogues through pre-installation of functional ligands: efficient directional functionalization and properties","CrystEngComm","2024","26","11","1540","1549","10.1039/D4CE00008K","","","0.71073","MoKα","","0.0446","0.0324","","","0.0857","0.0931","","","","","","1.0462","","","","has coordinates","290898","2024-04-04","23:09:46",""
"7248043","9.4413","0.0003","12.1521","0.0005","16.2434","0.0007","90","","93.569","0.001","90","","1860.02","0.13","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H28 Cl4 Co N2 -","- C14 H28 Cl4 Co N2 -","- C56 H112 Cl16 Co4 N8 -","4","1","","Belloso-Casuso, Cantia; de Pedro, Imanol; Canadillas-Delgado, Laura; Beobide, Garikoitz; Sánchez-Andújar, Manuel; Gárcia Ben, Javier; Walker, Julian; González Izquierdo, Palmerina; Cano, Israel; Rodríguez Fernández, Jesus; Fabelo, Oscar","Structural and physico-chemical characterization of hybrid materials based on globular quinuclidinium cation derivatives and tetrachloridocobaltate(ii) anions","CrystEngComm","2024","26","4","439","451","10.1039/D3CE00759F","","","0.56086","AgKα","","0.0593","0.0424","","","0.0915","0.1029","","","","","","0.997","","","","has coordinates","289184","2024-01-22","23:41:08",""
"7248044","9.6452","0.0015","12.4497","0.0019","16.168","0.002","90","","92.796","0.005","90","","1939.1","0.5","299","2","299","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H28 Cl4 Co N2 -","- C14 H28 Cl4 Co N2 -","- C56 H112 Cl16 Co4 N8 -","4","1","","Belloso-Casuso, Cantia; de Pedro, Imanol; Canadillas-Delgado, Laura; Beobide, Garikoitz; Sánchez-Andújar, Manuel; Gárcia Ben, Javier; Walker, Julian; González Izquierdo, Palmerina; Cano, Israel; Rodríguez Fernández, Jesus; Fabelo, Oscar","Structural and physico-chemical characterization of hybrid materials based on globular quinuclidinium cation derivatives and tetrachloridocobaltate(ii) anions","CrystEngComm","2024","26","4","439","451","10.1039/D3CE00759F","","","0.56086","AgKα","","0.0667","0.0472","","","0.1214","0.141","","","","","","1.021","","","","has coordinates","289184","2024-01-22","23:41:09",""
"7248045","9.5688","0.0002","12.9473","0.0003","15.9128","0.0003","90","","90","","90","","1971.44","0.07","296","2","296.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H28 Cl4 Co N2 O2 -","- C14 H28 Cl4 Co N2 O2 -","- C56 H112 Cl16 Co4 N8 O8 -","4","1","","Belloso-Casuso, Cantia; de Pedro, Imanol; Canadillas-Delgado, Laura; Beobide, Garikoitz; Sánchez-Andújar, Manuel; Gárcia Ben, Javier; Walker, Julian; González Izquierdo, Palmerina; Cano, Israel; Rodríguez Fernández, Jesus; Fabelo, Oscar","Structural and physico-chemical characterization of hybrid materials based on globular quinuclidinium cation derivatives and tetrachloridocobaltate(ii) anions","CrystEngComm","2024","26","4","439","451","10.1039/D3CE00759F","","","1.54178","CuKα","","0.0419","0.0349","","","0.0838","0.087","","","","","","1.059","","","","has coordinates,has disorder","289184","2024-01-22","23:41:09",""
"7248046","6.5731","0.0015","16.213","0.004","13.002","0.003","90","","91.784","0.007","90","","1384.9","0.6","301","","301","","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C7 H18 Cl4 Co N2 O -","- C7 H18 Cl4 Co N2 O -","- C28 H72 Cl16 Co4 N8 O4 -","4","2","","Belloso-Casuso, Cantia; de Pedro, Imanol; Canadillas-Delgado, Laura; Beobide, Garikoitz; Sánchez-Andújar, Manuel; Gárcia Ben, Javier; Walker, Julian; González Izquierdo, Palmerina; Cano, Israel; Rodríguez Fernández, Jesus; Fabelo, Oscar","Structural and physico-chemical characterization of hybrid materials based on globular quinuclidinium cation derivatives and tetrachloridocobaltate(ii) anions","CrystEngComm","2024","26","4","439","451","10.1039/D3CE00759F","","","0.56086","AgKα","","0.0644","0.0559","","","0.1432","0.15","","","","","","1.042","","","","has coordinates","289184","2024-01-22","23:41:09",""
"7248047","6.4979","0.0004","16.0144","0.001","12.9534","0.0008","90","","91.907","0.002","90","","1347.18","0.14","100","","100","","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C7 H18 Cl4 Co N2 O -","- C7 H18 Cl4 Co N2 O -","- C28 H72 Cl16 Co4 N8 O4 -","4","2","","Belloso-Casuso, Cantia; de Pedro, Imanol; Canadillas-Delgado, Laura; Beobide, Garikoitz; Sánchez-Andújar, Manuel; Gárcia Ben, Javier; Walker, Julian; González Izquierdo, Palmerina; Cano, Israel; Rodríguez Fernández, Jesus; Fabelo, Oscar","Structural and physico-chemical characterization of hybrid materials based on globular quinuclidinium cation derivatives and tetrachloridocobaltate(ii) anions","CrystEngComm","2024","26","4","439","451","10.1039/D3CE00759F","","","0.56086","AgKα","","0.0296","0.0286","","","0.0645","0.065","","","","","","1.062","","","","has coordinates","289184","2024-01-22","23:41:09",""
"7248048","9.5314","0.0012","15.705","0.002","38.49","0.005","90","","90","","90","","5761.6","1.3","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H84 Cl12 Co3 N6 O6 -","- C42 H84 Cl12 Co3 N6 O6 -","- C168 H336 Cl48 Co12 N24 O24 -","4","1","","Belloso-Casuso, Cantia; de Pedro, Imanol; Canadillas-Delgado, Laura; Beobide, Garikoitz; Sánchez-Andújar, Manuel; Gárcia Ben, Javier; Walker, Julian; González Izquierdo, Palmerina; Cano, Israel; Rodríguez Fernández, Jesus; Fabelo, Oscar","Structural and physico-chemical characterization of hybrid materials based on globular quinuclidinium cation derivatives and tetrachloridocobaltate(ii) anions","CrystEngComm","2024","26","4","439","451","10.1039/D3CE00759F","","","1.54178","CuKα","","0.1199","0.1011","","","0.2876","0.3132","","","","","","1.258","","","","has coordinates","289184","2024-01-22","23:41:09",""
"7248049","12.4408","0.0007","15.1905","0.0008","16.5411","0.0009","92.864","0.003","102.624","0.003","106.246","0.003","2907.9","0.3","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","Ponatinib HCl","3-(imidazo[1,2-b]pyridazin-3-yylethynyl)-4-methyl-N-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)benzamide hydrochloride","","- C58 H63 Cl3 F6 N12 O5 -","- C58 H63 Cl3 F6 N12 O5 -","- C116 H126 Cl6 F12 N24 O10 -","2","1","","Stirk, Alexander J.; Holmes, Sean T.; Souza, Fabio E. S.; Hung, Ivan; Gan, Zhehong; Britten, James F.; Rey, Allan W.; Schurko, Robert W.","An unusual ionic cocrystal of ponatinib hydrochloride: characterization by single-crystal X-ray diffraction and ultra-high field NMR spectroscopy.","CrystEngComm","2024","26","9","1219","1233","10.1039/d3ce01062g","","","0.71073","MoKα","","0.0895","0.0599","","","0.1595","0.1733","","","","","","1.096","","","","has coordinates","290156","2024-03-04","20:10:19",""
"7248050","36.361","0.004","5.9049","0.0006","21.101","0.002","90","","115.569","0.003","90","","4086.9","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 N2 O9 Zn -","- C20 H18 N2 O9 Zn -","- C160 H144 N16 O72 Zn8 -","8","1","","Guerrero-García, Pablo; Cepeda, Javier; Ortega-Muñoz, Mariano; García, Jose Angel; Navarro, Amparo; Choquesillo-Lazarte, Duane; Rojas, Sara; Diéguez, Antonio Rodríguez; Quesada-Moreno, María Mar; Vitórica-Yrezábal, Iñigo J.","Naphthalene-1,8-dicarboxylate based zinc coordination polymers: a photophysical study","CrystEngComm","2024","26","9","1268","1277","10.1039/D3CE01233F","","","1.54178","CuKα","","0.0426","0.0413","","","0.1254","0.1272","","","","","","1.072","","","","has coordinates,has disorder","290157","2024-03-04","20:10:32",""
"7248051","11.3657","0.0007","17.0847","0.0014","9.57","0.0008","90","","107.99","0.002","90","","1767.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 N6 O6 Zn -","- C17 H12 N6 O6 Zn -","- C68 H48 N24 O24 Zn4 -","4","1","","Guerrero-García, Pablo; Cepeda, Javier; Ortega-Muñoz, Mariano; García, Jose Angel; Navarro, Amparo; Choquesillo-Lazarte, Duane; Rojas, Sara; Diéguez, Antonio Rodríguez; Quesada-Moreno, María Mar; Vitórica-Yrezábal, Iñigo J.","Naphthalene-1,8-dicarboxylate based zinc coordination polymers: a photophysical study","CrystEngComm","2024","26","9","1268","1277","10.1039/D3CE01233F","","","0.71073","MoKα","","0.0389","0.0303","","","0.0725","0.0785","","","","","","1.059","","","","has coordinates,has disorder","290157","2024-03-04","20:10:32",""
"7248052","8.7045","0.0003","15.5177","0.0005","18.7098","0.0006","110.77","0.002","92.2","0.002","91.272","0.002","2359.49","0.14","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H19 N11 O9 Zn2 -","- C18 H19 N11 O9 Zn2 -","- C72 H76 N44 O36 Zn8 -","4","2","","Guerrero-García, Pablo; Cepeda, Javier; Ortega-Muñoz, Mariano; García, Jose Angel; Navarro, Amparo; Choquesillo-Lazarte, Duane; Rojas, Sara; Diéguez, Antonio Rodríguez; Quesada-Moreno, María Mar; Vitórica-Yrezábal, Iñigo J.","Naphthalene-1,8-dicarboxylate based zinc coordination polymers: a photophysical study","CrystEngComm","2024","26","9","1268","1277","10.1039/D3CE01233F","","","1.54178","CuKα","","0.197","0.1002","","","0.2424","0.3087","","","","","","0.998","","","","has coordinates","290157","2024-03-04","20:10:32",""
"7248053","10.1417","0.0002","18.861","0.0003","16.4838","0.0002","90","","105.408","0.002","90","","3039.74","0.09","212.99","0.1","212.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H23 Mn2 N O15 -","- C28 H23 Mn2 N O15 -","- C112 H92 Mn8 N4 O60 -","4","1","","Wu, Hang; Ghosh, Mithun Kumar; Wang, Guang-Li; Wang, Jun; Muddassir, Mohd.; Ghorai, Tanmay Kumar; Kushwaha, Aparna; Srivastava, Devyani; Kumar, Abhinav","New 3,5-bis(3,4-dicarboxyphenoxy)benzoic acid-appended Mn(ii) coordination polymers: synthesis, characterization and antibiotic photodegradation properties","CrystEngComm","2024","26","10","1453","1463","10.1039/D3CE01285A","","x-ray","1.54184","CuKα","","0.0551","0.0466","","","0.1097","0.1136","","","","","","1.055","","","","has coordinates,has disorder","290880","2024-04-04","23:04:06",""
"7248054","19.1708","0.0008","6.2123","0.0003","9.5258","0.0005","90","","102.172","0.004","90","","1108.97","0.09","213","0.1","213","0.1","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C23 H16 Mn O14 -","- C23 H16 Mn O14 -","- C46 H32 Mn2 O28 -","2","0.5","","Wu, Hang; Ghosh, Mithun Kumar; Wang, Guang-Li; Wang, Jun; Muddassir, Mohd.; Ghorai, Tanmay Kumar; Kushwaha, Aparna; Srivastava, Devyani; Kumar, Abhinav","New 3,5-bis(3,4-dicarboxyphenoxy)benzoic acid-appended Mn(ii) coordination polymers: synthesis, characterization and antibiotic photodegradation properties","CrystEngComm","2024","26","10","1453","1463","10.1039/D3CE01285A","","x-ray","0.71073","MoKα","","0.0505","0.0389","","","0.0987","0.1052","","","","","","1.067","","","","has coordinates,has disorder","290880","2024-04-04","23:04:07",""
"7248055","11.2767","0.0004","11.9402","0.0004","12.4311","0.0004","96.076","0.003","104.603","0.003","111.886","0.003","1465.3","0.1","213","0.1","213","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C33 H22 Mn N2 O13 -","- C33 H22 Mn N2 O13 -","- C66 H44 Mn2 N4 O26 -","2","1","","Wu, Hang; Ghosh, Mithun Kumar; Wang, Guang-Li; Wang, Jun; Muddassir, Mohd.; Ghorai, Tanmay Kumar; Kushwaha, Aparna; Srivastava, Devyani; Kumar, Abhinav","New 3,5-bis(3,4-dicarboxyphenoxy)benzoic acid-appended Mn(ii) coordination polymers: synthesis, characterization and antibiotic photodegradation properties","CrystEngComm","2024","26","10","1453","1463","10.1039/D3CE01285A","","x-ray","1.54184","CuKα","","0.0559","0.0494","","","0.1318","0.1363","","","","","","1.057","","","","has coordinates","290880","2024-04-04","23:04:07",""
"7248056","14.081","0.004","19.265","0.005","16.785","0.005","90","","100.61","0.006","90","","4475","2","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H48 Mn2 N4 O17 -","- C39 H48 Mn2 N4 O17 -","- C156 H192 Mn8 N16 O68 -","4","1","","Wu, Hang; Ghosh, Mithun Kumar; Wang, Guang-Li; Wang, Jun; Muddassir, Mohd.; Ghorai, Tanmay Kumar; Kushwaha, Aparna; Srivastava, Devyani; Kumar, Abhinav","New 3,5-bis(3,4-dicarboxyphenoxy)benzoic acid-appended Mn(ii) coordination polymers: synthesis, characterization and antibiotic photodegradation properties","CrystEngComm","2024","26","10","1453","1463","10.1039/D3CE01285A","","","0.71073","MoKα","","0.1413","0.0653","","","0.1522","0.1871","","","","","","0.996","","","","has coordinates","290880","2024-04-04","23:04:07",""
"7248057","6.6228","0.0004","10.0408","0.0008","22.0134","0.0016","90","","94.015","0.005","90","","1460.26","0.18","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N6 O -","- C16 H14 N6 O -","- C64 H56 N24 O4 -","4","1","","Shishkina, Svitlana V.; Shaposhnyk, Anna M.; Dyakonenko, Viktoriya V.; Shyshkina, Mariia O.; Kovalenko, Sergiy M.","Use of quantum chemical methods to study concomitant polymorphs of a new benzimidazole-1,2,3-triazole hybrid compound","CrystEngComm","2024","26","10","1481","1493","10.1039/D3CE01152F","","x-ray","0.71073","MoKα","","0.1003","0.0652","","","0.1654","0.1913","","","","","","1.078","","","","has coordinates","290877","2024-04-04","23:03:32",""
"7248058","5.3231","0.0009","11.4404","0.0019","12.235","0.002","73.954","0.015","81.185","0.014","89.683","0.014","707.1","0.2","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H14 N6 O -","- C16 H14 N6 O -","- C32 H28 N12 O2 -","2","1","","Shishkina, Svitlana V.; Shaposhnyk, Anna M.; Dyakonenko, Viktoriya V.; Shyshkina, Mariia O.; Kovalenko, Sergiy M.","Use of quantum chemical methods to study concomitant polymorphs of a new benzimidazole-1,2,3-triazole hybrid compound","CrystEngComm","2024","26","10","1481","1493","10.1039/D3CE01152F","","x-ray","0.71073","MoKα","","0.1126","0.0819","","","0.1984","0.2327","","","","","","1.028","","","","has coordinates","290877","2024-04-04","23:03:33",""
"7248060","18.493","0.0007","18.493","0.0007","7.1799","0.0005","90","","90","","90","","2455.5","0.2","100","0.1","100","0.1","","","","","","","","3","P -4 21 c","P -4 2n","114","","","","- C116 H104 Br8 -","- C116 H104 Br8 -","- C116 H104 Br8 -","1","0.125","","Lutz, Nicholas; Bicknell, Josephine; Loya, Jesus Daniel; Reinheimer, Eric W.; Campillo-Alvarado, Gonzalo","Channel confinement and separation properties in an adaptive supramolecular framework using an adamantane tecton","CrystEngComm","2024","26","8","1067","1070","10.1039/D4CE00037D","","x-ray","0.71073","MoKα","","0.0684","0.0394","","","0.0728","0.082","","","","","","1","","","","has coordinates","290140","2024-03-04","20:06:29",""
"7248061","7.1953","0.0003","25.4666","0.0009","10.1699","0.0004","90","","107.729","0.004","90","","1775.03","0.13","101","2","101","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C42 H38 Br4 -","- C42 H38 Br4 -","- C84 H76 Br8 -","2","1","","Lutz, Nicholas; Bicknell, Josephine; Loya, Jesus Daniel; Reinheimer, Eric W.; Campillo-Alvarado, Gonzalo","Channel confinement and separation properties in an adaptive supramolecular framework using an adamantane tecton","CrystEngComm","2024","26","8","1067","1070","10.1039/D4CE00037D","","x-ray","0.71073","MoKα","","0.0458","0.0374","","","0.0644","0.0665","","","","","","1.034","","","","has coordinates","290140","2024-03-04","20:06:29",""
"7248062","18.7063","0.0012","7.1729","0.0005","25.574","0.002","90","","101.643","0.007","90","","3360.9","0.4","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C35 H29 Br4 Cl3 -","- C35 H29 Br4 Cl3 -","- C140 H116 Br16 Cl12 -","4","0.5","","Lutz, Nicholas; Bicknell, Josephine; Loya, Jesus Daniel; Reinheimer, Eric W.; Campillo-Alvarado, Gonzalo","Channel confinement and separation properties in an adaptive supramolecular framework using an adamantane tecton","CrystEngComm","2024","26","8","1067","1070","10.1039/D4CE00037D","","x-ray","0.71073","MoKα","","0.115","0.0672","","","0.1635","0.1851","","","","","","1.058","","","","has coordinates,has disorder","290140","2024-03-04","20:06:29",""
"7248063","19.2611","0.0014","7.1873","0.0007","25.1626","0.0019","90","","94.187","0.008","90","","3474.1","0.5","100","0.1","100","0.1","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C41 H36 Br4 -","- C41 H36 Br4 -","- C164 H144 Br16 -","4","1","","Lutz, Nicholas; Bicknell, Josephine; Loya, Jesus Daniel; Reinheimer, Eric W.; Campillo-Alvarado, Gonzalo","Channel confinement and separation properties in an adaptive supramolecular framework using an adamantane tecton","CrystEngComm","2024","26","8","1067","1070","10.1039/D4CE00037D","","x-ray","0.71073","MoKα","","0.066","0.0493","","","0.101","0.1064","","","","","","1.056","","","","has coordinates","290140","2024-03-04","20:06:29",""
"7248064","10.8095","0.0007","15.4233","0.0009","19.8301","0.001","67.615","0.005","80.075","0.005","74.356","0.005","2934.6","0.3","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C34 H28 Br4 -","- C34 H28 Br4 -","- C136 H112 Br16 -","4","2","","Lutz, Nicholas; Bicknell, Josephine; Loya, Jesus Daniel; Reinheimer, Eric W.; Campillo-Alvarado, Gonzalo","Channel confinement and separation properties in an adaptive supramolecular framework using an adamantane tecton","CrystEngComm","2024","26","8","1067","1070","10.1039/D4CE00037D","","x-ray","0.71073","MoKα","","0.1042","0.0524","","","0.1061","0.1219","","","","","","1.032","","","","has coordinates","290140","2024-03-04","20:06:29",""
"7248065","14.4222","0.0015","9.8977","0.0011","15.7318","0.0016","90","","115.349","0.005","90","","2029.4","0.4","298","2","298.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H16 Cl2 Cu N8 O8 -","- C12 H16 Cl2 Cu N8 O8 -","- C48 H64 Cl8 Cu4 N32 O32 -","4","0.5","","Lu, Zu-Jia; Wang, Ting-Wei; Sun, Mou; Xu, Mei-Qi; Zhang, Chao; Yi, Zhen-Xin; Zhang, Jian-Guo","Synthesis of energetic coordination compounds based on pyrazole and 4-chloropyrazole via co-melting crystallization method","CrystEngComm","2024","26","8","1178","1188","10.1039/D3CE01182H","","","0.71073","MoKα","","0.0537","0.0428","","","0.114","0.1202","","","","","","1.072","","","","has coordinates","290142","2024-03-04","20:07:02",""
"7248066","13.6445","0.0013","9.875","0.0009","14.6405","0.0014","90","","112.024","0.005","90","","1828.7","0.3","298","","298","","","","","","","","see text","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H16 Cu N10 O6 -","- C12 H16 Cu N10 O6 -","- C48 H64 Cu4 N40 O24 -","4","0.5","","Lu, Zu-Jia; Wang, Ting-Wei; Sun, Mou; Xu, Mei-Qi; Zhang, Chao; Yi, Zhen-Xin; Zhang, Jian-Guo","Synthesis of energetic coordination compounds based on pyrazole and 4-chloropyrazole via co-melting crystallization method","CrystEngComm","2024","26","8","1178","1188","10.1039/D3CE01182H","","x-ray","0.71073","MoKα","","0.0508","0.0435","","","0.1197","0.1251","","","","","","1.077","","","","has coordinates","290142","2024-03-04","20:07:03",""
"7248067","36.169","0.003","9.9451","0.0009","13.4069","0.0016","90","","90","","90","","4822.5","0.8","298.15","","298.15","","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C12 H12 Cl6 Cu N8 O8 -","- C12 H12 Cl6 Cu N8 O8 -","- C96 H96 Cl48 Cu8 N64 O64 -","8","0.25","","Lu, Zu-Jia; Wang, Ting-Wei; Sun, Mou; Xu, Mei-Qi; Zhang, Chao; Yi, Zhen-Xin; Zhang, Jian-Guo","Synthesis of energetic coordination compounds based on pyrazole and 4-chloropyrazole via co-melting crystallization method","CrystEngComm","2024","26","8","1178","1188","10.1039/D3CE01182H","","","0.71073","MoKα","","0.1081","0.093","","","0.2395","0.2527","","","","","","1.128","","","","has coordinates,has disorder","290142","2024-03-04","20:07:03",""
"7248068","12.171","0.0013","12.171","0.0013","43.96","0.004","90","","90","","120","","5639.5","1","298","2","298.15","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C27 H33 Cu3 N19 O4 -","- C27 H33 Cu3 N19 O4 -","- C162 H198 Cu18 N114 O24 -","6","0.333333","","Lu, Zu-Jia; Wang, Ting-Wei; Sun, Mou; Xu, Mei-Qi; Zhang, Chao; Yi, Zhen-Xin; Zhang, Jian-Guo","Synthesis of energetic coordination compounds based on pyrazole and 4-chloropyrazole via co-melting crystallization method","CrystEngComm","2024","26","8","1178","1188","10.1039/D3CE01182H","","","0.71073","MoKα","","0.0675","0.056","","","0.1606","0.1678","","","","","","1.117","","","","has coordinates","290142","2024-03-04","20:07:03",""
"7248069","38.031","0.003","7.9094","0.0008","14.7249","0.0011","90","","102.767","0.003","90","","4319.8","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 Cl4 Cu N10 O6 -","- C12 H12 Cl4 Cu N10 O6 -","- C96 H96 Cl32 Cu8 N80 O48 -","8","1","","Lu, Zu-Jia; Wang, Ting-Wei; Sun, Mou; Xu, Mei-Qi; Zhang, Chao; Yi, Zhen-Xin; Zhang, Jian-Guo","Synthesis of energetic coordination compounds based on pyrazole and 4-chloropyrazole via co-melting crystallization method","CrystEngComm","2024","26","8","1178","1188","10.1039/D3CE01182H","","","0.71073","MoKα","","0.0916","0.0759","","","0.1873","0.1943","","","","","","1.125","","","","has coordinates,has disorder","290142","2024-03-04","20:07:03",""
"7248070","8.7652","0.0004","10.7608","0.0005","11.206","0.0005","103.334","0.0018","92.5999","0.0018","107.653","0.0017","972.43","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16.5 N1.5 O6 U -","- C21 H16.5 N1.5 O6 U -","- C42 H33 N3 O12 U2 -","2","1","","Lee, Young Hoon; Kusumoto, Sotaro; Atoini, Youssef; Koide, Yoshihiro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Uranyl ion coordination polymers with the dibenzobarrelene-based rac- and (R,R)-trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylate ligands","CrystEngComm","2024","26","9","1278","1291","10.1039/D3CE01176C","","","0.71073","MoKα","","0.024","0.021","","","0.0447","0.0456","","","","","","1.151","","","","has coordinates,has disorder","290155","2024-03-04","20:10:08",""
"7248071","15.7139","0.0005","15.008","0.0005","22.3323","0.0006","90","","96.4976","0.0011","90","","5232.9","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H56 N2 O18 U2 -","- C58 H56 N2 O18 U2 -","- C232 H224 N8 O72 U8 -","4","0.5","","Lee, Young Hoon; Kusumoto, Sotaro; Atoini, Youssef; Koide, Yoshihiro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Uranyl ion coordination polymers with the dibenzobarrelene-based rac- and (R,R)-trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylate ligands","CrystEngComm","2024","26","9","1278","1291","10.1039/D3CE01176C","","","0.71073","MoKα","","0.0232","0.0194","","","0.041","0.0431","","","","","","1.059","","","","has coordinates","290155","2024-03-04","20:10:09",""
"7248072","8.6348","0.0003","14.3691","0.0005","27.8539","0.0011","93.9567","0.0017","98.1776","0.0017","94.847","0.0016","3397.1","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H52 N8 Ni O21 U2 -","- C70 H52 N8 Ni O21 U2 -","- C140 H104 N16 Ni2 O42 U4 -","2","1","","Lee, Young Hoon; Kusumoto, Sotaro; Atoini, Youssef; Koide, Yoshihiro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Uranyl ion coordination polymers with the dibenzobarrelene-based rac- and (R,R)-trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylate ligands","CrystEngComm","2024","26","9","1278","1291","10.1039/D3CE01176C","","","0.71073","MoKα","","0.0387","0.0358","","","0.0785","0.0796","","","","","","1.208","","","","has coordinates","290155","2024-03-04","20:10:09",""
"7248073","28.912","0.0013","11.9986","0.0005","13.6561","0.0005","90","","95.2025","0.0017","90","","4717.8","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H21 N O7 U -","- C22 H21 N O7 U -","- C176 H168 N8 O56 U8 -","8","1","","Lee, Young Hoon; Kusumoto, Sotaro; Atoini, Youssef; Koide, Yoshihiro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Uranyl ion coordination polymers with the dibenzobarrelene-based rac- and (R,R)-trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylate ligands","CrystEngComm","2024","26","9","1278","1291","10.1039/D3CE01176C","","","0.71073","MoKα","","0.0385","0.034","","","0.087","0.0892","","","","","","1.174","","","","has coordinates","290155","2024-03-04","20:10:09",""
"7248074","8.4166","0.0003","21.8953","0.0007","8.4203","0.0003","90","","93.6517","0.0012","90","","1548.58","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 O6 U -","- C18 H12 O6 U -","- C72 H48 O24 U4 -","4","1","","Lee, Young Hoon; Kusumoto, Sotaro; Atoini, Youssef; Koide, Yoshihiro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Uranyl ion coordination polymers with the dibenzobarrelene-based rac- and (R,R)-trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylate ligands","CrystEngComm","2024","26","9","1278","1291","10.1039/D3CE01176C","","","0.71073","MoKα","","0.0175","0.0164","","","0.0385","0.039","","","","","","1.119","","","","has coordinates","290155","2024-03-04","20:10:09",""
"7248075","23.3097","0.0006","13.3655","0.0003","13.5379","0.0003","90","","90","","90","","4217.68","0.17","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C102 H76 O16 P2 U2 -","- C102 H76 O16 P2 U2 -","- C204 H152 O32 P4 U4 -","2","0.5","","Lee, Young Hoon; Kusumoto, Sotaro; Atoini, Youssef; Koide, Yoshihiro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Uranyl ion coordination polymers with the dibenzobarrelene-based rac- and (R,R)-trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylate ligands","CrystEngComm","2024","26","9","1278","1291","10.1039/D3CE01176C","","","0.71073","MoKα","","0.0204","0.019","","","0.04","0.0408","","","","","","1.038","","","","has coordinates","290155","2024-03-04","20:10:09",""
"7248076","17.5195","0.0006","26.5815","0.0007","8.8808","0.0003","90","","90","","90","","4135.7","0.2","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C80 H80 N4 O26 U4 -","- C80 H80 N4 O26 U4 -","- C160 H160 N8 O52 U8 -","2","0.5","","Lee, Young Hoon; Kusumoto, Sotaro; Atoini, Youssef; Koide, Yoshihiro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Uranyl ion coordination polymers with the dibenzobarrelene-based rac- and (R,R)-trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylate ligands","CrystEngComm","2024","26","9","1278","1291","10.1039/D3CE01176C","","","0.71073","MoKα","","0.0605","0.0472","","","0.0992","0.1058","","","","","","1.035","","","","has coordinates,has disorder","290155","2024-03-04","20:10:09",""
"7248077","15.4596","0.0004","15.193","0.0004","21.8735","0.0005","90","","95.5571","0.0009","90","","5113.5","0.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C58 H43 Ag2 N2 O16.5 U2 -","- C58 H42 Ag2 N2 O16.5 U2 -","- C232 H168 Ag8 N8 O66 U8 -","4","0.5","","Lee, Young Hoon; Kusumoto, Sotaro; Atoini, Youssef; Koide, Yoshihiro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Uranyl ion coordination polymers with the dibenzobarrelene-based rac- and (R,R)-trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylate ligands","CrystEngComm","2024","26","9","1278","1291","10.1039/D3CE01176C","","","0.71073","MoKα","","0.0183","0.0182","","","0.0465","0.0466","","","","","","1.073","","","","has coordinates","290155","2024-03-04","20:10:09",""
"7248080","6.802","0.0005","21.332","0.002","13.2767","0.0012","90","","97.576","0.003","90","","1909.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H16 N8 O20 Th -","- C4 H16 N8 O20 Th -","- C16 H64 N32 O80 Th4 -","4","1","","Shore, Madeline C.; Nicholas, Aaron D.; Vasiliu, Monica; Edwards, Kyle C.; de Melo, Gabriel F.; Bertke, Jeffery A.; Dixon, David A.; Knope, Karah E.","Structural chemistry of penta- and hexanitrato thorium(iv) complexes isolated using N–H donors","CrystEngComm","2024","26","10","1380","1398","10.1039/D3CE01319G","","","0.71073","MoKα","","0.016","0.0142","","","0.034","0.0346","","","","","","1.124","","","","has coordinates","290882","2024-04-04","23:05:46",""
"7248081","9.1818","0.0008","15.7857","0.0013","16.523","0.002","68.362","0.004","89.898","0.004","75.32","0.002","2142.2","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H34 N14 O28 Th -","- C30 H34 N14 O28 Th -","- C60 H68 N28 O56 Th2 -","2","1","","Shore, Madeline C.; Nicholas, Aaron D.; Vasiliu, Monica; Edwards, Kyle C.; de Melo, Gabriel F.; Bertke, Jeffery A.; Dixon, David A.; Knope, Karah E.","Structural chemistry of penta- and hexanitrato thorium(iv) complexes isolated using N–H donors","CrystEngComm","2024","26","10","1380","1398","10.1039/D3CE01319G","","","0.71073","MoKα","","0.0302","0.0231","","","0.0403","0.0417","","","","","","1.072","","","","has coordinates","290882","2024-04-04","23:05:47",""
"7248082","12.2065","0.001","12.3878","0.001","19.2532","0.0016","90","","108.057","0.002","90","","2767.9","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H18 N10 O21 Th -","- C15 H18 N10 O21 Th -","- C60 H72 N40 O84 Th4 -","4","0.5","","Shore, Madeline C.; Nicholas, Aaron D.; Vasiliu, Monica; Edwards, Kyle C.; de Melo, Gabriel F.; Bertke, Jeffery A.; Dixon, David A.; Knope, Karah E.","Structural chemistry of penta- and hexanitrato thorium(iv) complexes isolated using N–H donors","CrystEngComm","2024","26","10","1380","1398","10.1039/D3CE01319G","","","0.71073","MoKα","","0.0173","0.0157","","","0.0347","0.0353","","","","","","1.17","","","","has coordinates","290882","2024-04-04","23:05:47",""
"7248083","7.5205","0.0003","9.4305","0.0004","19.2896","0.0008","86.993","0.001","83.564","0.001","81.812","0.001","1344.65","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 N10 O21 Th -","- C15 H15 N10 O21 Th -","- C30 H30 N20 O42 Th2 -","2","1","","Shore, Madeline C.; Nicholas, Aaron D.; Vasiliu, Monica; Edwards, Kyle C.; de Melo, Gabriel F.; Bertke, Jeffery A.; Dixon, David A.; Knope, Karah E.","Structural chemistry of penta- and hexanitrato thorium(iv) complexes isolated using N–H donors","CrystEngComm","2024","26","10","1380","1398","10.1039/D3CE01319G","","","0.71073","MoKα","","0.0256","0.0196","","","0.0336","0.0348","","","","","","1.029","","","","has coordinates","290882","2024-04-04","23:05:47",""
"7248084","10.1866","0.0007","13.3824","0.0009","13.089","0.0009","90","","95.951","0.002","90","","1774.7","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 N12 O24 Th -","- C20 H24 N12 O24 Th -","- C40 H48 N24 O48 Th2 -","2","0.5","","Shore, Madeline C.; Nicholas, Aaron D.; Vasiliu, Monica; Edwards, Kyle C.; de Melo, Gabriel F.; Bertke, Jeffery A.; Dixon, David A.; Knope, Karah E.","Structural chemistry of penta- and hexanitrato thorium(iv) complexes isolated using N–H donors","CrystEngComm","2024","26","10","1380","1398","10.1039/D3CE01319G","","","0.71073","MoKα","","0.0209","0.0178","","","0.0464","0.0485","","","","","","1.081","","","","has coordinates,has disorder","290882","2024-04-04","23:05:47",""
"7248085","8.8462","0.0006","13.2604","0.0009","11.0517","0.0007","90","","101.802","0.002","90","","1269","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H20 N8 O18 Th -","- C14 H20 N8 O18 Th -","- C28 H40 N16 O36 Th2 -","2","0.5","","Shore, Madeline C.; Nicholas, Aaron D.; Vasiliu, Monica; Edwards, Kyle C.; de Melo, Gabriel F.; Bertke, Jeffery A.; Dixon, David A.; Knope, Karah E.","Structural chemistry of penta- and hexanitrato thorium(iv) complexes isolated using N–H donors","CrystEngComm","2024","26","10","1380","1398","10.1039/D3CE01319G","","","0.71073","MoKα","","0.0324","0.018","","","0.0362","0.0399","","","","","","1.078","","","","has coordinates","290882","2024-04-04","23:05:47",""
"7248086","19.3201","0.0009","10.8154","0.0005","13.1377","0.0006","90","","109.58","0.001","90","","2586.4","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 N10 O18 Th -","- C16 H14 N10 O18 Th -","- C64 H56 N40 O72 Th4 -","4","0.5","","Shore, Madeline C.; Nicholas, Aaron D.; Vasiliu, Monica; Edwards, Kyle C.; de Melo, Gabriel F.; Bertke, Jeffery A.; Dixon, David A.; Knope, Karah E.","Structural chemistry of penta- and hexanitrato thorium(iv) complexes isolated using N–H donors","CrystEngComm","2024","26","10","1380","1398","10.1039/D3CE01319G","","","0.71073","MoKα","","0.0395","0.0208","","","0.0367","0.0409","","","","","","1.015","","","","has coordinates","290882","2024-04-04","23:05:47",""
"7248087","8.5991","0.0005","10.9119","0.0006","12.5427","0.0007","90","","94.099","0.001","90","","1173.9","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 N8 O18 Th -","- C12 H16 N8 O18 Th -","- C24 H32 N16 O36 Th2 -","2","0.5","","Shore, Madeline C.; Nicholas, Aaron D.; Vasiliu, Monica; Edwards, Kyle C.; de Melo, Gabriel F.; Bertke, Jeffery A.; Dixon, David A.; Knope, Karah E.","Structural chemistry of penta- and hexanitrato thorium(iv) complexes isolated using N–H donors","CrystEngComm","2024","26","10","1380","1398","10.1039/D3CE01319G","","","0.71073","MoKα","","0.0175","0.0151","","","0.0344","0.0352","","","","","","1.208","","","","has coordinates","290882","2024-04-04","23:05:47",""
"7248088","17.3812","0.0015","18.9121","0.0015","13.497","0.0011","90","","113.819","0.003","90","","4058.8","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H26 N14 O24 Th -","- C30 H26 N14 O24 Th -","- C120 H104 N56 O96 Th4 -","4","0.5","","Shore, Madeline C.; Nicholas, Aaron D.; Vasiliu, Monica; Edwards, Kyle C.; de Melo, Gabriel F.; Bertke, Jeffery A.; Dixon, David A.; Knope, Karah E.","Structural chemistry of penta- and hexanitrato thorium(iv) complexes isolated using N–H donors","CrystEngComm","2024","26","10","1380","1398","10.1039/D3CE01319G","","","0.71073","MoKα","","0.0164","0.0159","","","0.0409","0.0411","","","","","","1.122","","","","has coordinates","290882","2024-04-04","23:05:47",""
"7248089","11.1786","0.0009","18.1915","0.0015","16.9407","0.0014","90","","93.437","0.003","90","","3438.8","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H30 N10 O21 Th -","- C21 H30 N10 O21 Th -","- C84 H120 N40 O84 Th4 -","4","1","","Shore, Madeline C.; Nicholas, Aaron D.; Vasiliu, Monica; Edwards, Kyle C.; de Melo, Gabriel F.; Bertke, Jeffery A.; Dixon, David A.; Knope, Karah E.","Structural chemistry of penta- and hexanitrato thorium(iv) complexes isolated using N–H donors","CrystEngComm","2024","26","10","1380","1398","10.1039/D3CE01319G","","","0.71073","MoKα","","0.0273","0.0235","","","0.0539","0.0553","","","","","","1.078","","","","has coordinates","290882","2024-04-04","23:05:47",""
"7248096","14.5892","0.0009","21.9646","0.0015","26.1741","0.0017","90","","90","","90","","8387.4","0.9","296.15","","296.15","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C54 H55 Co3 N6 O57 W12 -","- C54 H44 Co3 N6 O52 W12 -","- C216 H176 Co12 N24 O208 W48 -","4","1","","Wang, Xiuli; Yang, Lin; Zhang, Zhong","Structure-induced selective adsorption of diverse dyes and Cr(vi) photoreduction using two new polyoxometalate-based metal–viologen complexes","CrystEngComm","2024","26","10","1363","1370","10.1039/D3CE01227A","","x-ray","0.71073","MoKα","K-L~3~","0.1123","0.0616","","","0.1243","0.1468","","","","","","1.014","","","","has coordinates,has disorder","290878","2024-04-04","23:03:43",""
"7248097","13.0872","0.0006","13.6972","0.0007","19.4602","0.0009","95.412","0.001","106.144","0.001","93.091","0.001","3324.2","0.3","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C72 H75 Cu N8 O95 P2 W24 -","- C72 H66 Cu N8 O91 P2 W24 -","- C72 H66 Cu N8 O91 P2 W24 -","1","0.5","","Wang, Xiuli; Yang, Lin; Zhang, Zhong","Structure-induced selective adsorption of diverse dyes and Cr(vi) photoreduction using two new polyoxometalate-based metal–viologen complexes","CrystEngComm","2024","26","10","1363","1370","10.1039/D3CE01227A","","x-ray","0.71073","MoKα","K-L~3~","0.0781","0.0454","","","0.1089","0.1223","","","","","","1.017","","","","has coordinates","290878","2024-04-04","23:03:44",""
"7248099","34.8261","0.0006","34.8261","0.0006","17.3791","0.0004","90","","90","","120","","18254.4","0.6","152.99","","152.99","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C42 H31 Cu6 N6 O24 -","- C42 H31 Cu6 N6 O24 -","- C252 H186 Cu36 N36 O144 -","6","0.25","","Li, Hong-Xin; Zhang, Zong-Hui; Fang, Han; Guo, Xin-Ai; Du, Guo-Tong; Wang, Qin; Xue, Dong-Xu","A (4,6)-c copper–organic framework constructed from triazole-inserted dicarboxylate linker with CO2 selective adsorption","CrystEngComm","2024","26","9","1204","1208","10.1039/D3CE01217D","","","1.54178","CuKα","","0.1682","0.1401","","","0.408","0.4432","","","","","","1.79","","","","has coordinates,has disorder","290154","2024-03-04","20:09:52",""
"7248102","8.7171","0.0003","12.9296","0.0005","14.2643","0.0005","90","","90","","90","","1607.71","0.1","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,4-bis(4,5-diiodoimidazol-1-yl)butane","","- C10 H10 I4 N4 -","- C10 H10 I4 N4 -","- C40 H40 I16 N16 -","4","0.5","","Zaguzin, Alexander S.; Zaitsev, Artem V.; Korobeynikov, Nikita A.; Novikov, Alexander S.; Usoltsev, Andrey N.; Fedin, Vladimir P.; Adonin, Sergey A.","4,5-Diiodo-1-H-imidazole-derived linker ligand and Cu(i) and Co(ii) coordination polymers based thereupon","CrystEngComm","2024","26","11","1607","1612","10.1039/D4CE00072B","","","0.71073","MoKα","","0.0139","0.0134","","","0.0311","0.0313","","","","","","1.195","","","","has coordinates","290900","2024-04-04","23:09:59",""
"7248103","11.0164","0.0005","15.4161","0.0006","12.9223","0.0005","90","","103.359","0.002","90","","2135.21","0.15","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 Cu2 I6 N4 -","- C10 H10 Cu2 I6 N4 -","- C40 H40 Cu8 I24 N16 -","4","1","","Zaguzin, Alexander S.; Zaitsev, Artem V.; Korobeynikov, Nikita A.; Novikov, Alexander S.; Usoltsev, Andrey N.; Fedin, Vladimir P.; Adonin, Sergey A.","4,5-Diiodo-1-H-imidazole-derived linker ligand and Cu(i) and Co(ii) coordination polymers based thereupon","CrystEngComm","2024","26","11","1607","1612","10.1039/D4CE00072B","","","0.71073","MoKα","","0.0221","0.0195","","","0.0435","0.0447","","","","","","1.05","","","","has coordinates","290900","2024-04-04","23:10:00",""
"7248104","12.379","0.006","16.228","0.007","14.155","0.01","90","","107.332","0.016","90","","2714","3","200","","200","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C14.5 H20.5 Cl2 Co I4 N5.5 O1.5 -","- C10 H10 Cl2 Co I4 N4 -","- C40 H40 Cl8 Co4 I16 N16 -","4","0.5","","Zaguzin, Alexander S.; Zaitsev, Artem V.; Korobeynikov, Nikita A.; Novikov, Alexander S.; Usoltsev, Andrey N.; Fedin, Vladimir P.; Adonin, Sergey A.","4,5-Diiodo-1-H-imidazole-derived linker ligand and Cu(i) and Co(ii) coordination polymers based thereupon","CrystEngComm","2024","26","11","1607","1612","10.1039/D4CE00072B","","","0.71073","MoKα","","0.0378","0.0268","","","0.0561","0.0589","","","","","","1.04","","","","has coordinates,has disorder","290900","2024-04-04","23:10:01",""
"7248105","9.7501","0.0006","8.8976","0.0005","24.5696","0.0016","90","","90","","90","","2131.5","0.2","298.15","","298.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C5 H5 N9 O7 -","- C5 H5 N9 O7 -","- C40 H40 N72 O56 -","8","1","","Lv, Hongyu; Song, Siwei; Yin, Dangyue; Jiang, Xiue; Li, Yang; Li, Zhiwei; Ao, Wen; Wang, Yi; Zhang, Qinghua","Assembly of thermostable fused compounds with oxidizers for laser-ignited energetic materials","CrystEngComm","2024","26","12","1738","1746","10.1039/D4CE00006D","","","0.71073","MoKα","","0.0703","0.0429","","","0.0991","0.1107","","","","","","1.046","","","","has coordinates","290909","2024-04-04","23:12:41",""
"7248106","7.2532","0.0004","12.1486","0.0008","13.3337","0.0008","90","","104.28","0.002","90","","1138.61","0.12","181","","181","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H5 Cl N8 O8 -","- C5 H5 Cl N8 O8 -","- C20 H20 Cl4 N32 O32 -","4","1","","Lv, Hongyu; Song, Siwei; Yin, Dangyue; Jiang, Xiue; Li, Yang; Li, Zhiwei; Ao, Wen; Wang, Yi; Zhang, Qinghua","Assembly of thermostable fused compounds with oxidizers for laser-ignited energetic materials","CrystEngComm","2024","26","12","1738","1746","10.1039/D4CE00006D","","","0.71073","MoKα","","0.0476","0.0365","","","0.0887","0.0982","","","","","","1.04","","","","has coordinates","290909","2024-04-04","23:12:41",""
"7248111","14.52","0.0007","9.3992","0.0005","15.1096","0.0008","90","","112.583","0.002","90","","1903.99","0.17","296.15","","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 N3 O -","- C23 H21 N3 O -","- C92 H84 N12 O4 -","4","1","","Kaenpracha, Chaowat; Katrun, Praewpan; Chainok, Kittipong; Sukpattanacharoen, Chattarika; Kungwan, Nawee; Boonmak, Jaursup","Photoinduced enhancement of intraligand charge-transfer of a crystalline 3,3′-diindolyl(3-pyridyl)methane","CrystEngComm","2024","26","10","1438","1443","10.1039/D3CE01283B","","","0.71073","MoKα","","0.0928","0.0694","","","0.1599","0.173","","","","","","1.0789","","","","has coordinates","290881","2024-04-04","23:05:29",""
"7248112","14.4831","0.0018","9.3913","0.0009","15.0356","0.0019","90","","112.58","0.004","90","","1888.3","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 N3 O -","- C23 H21 N3 O -","- C92 H84 N12 O4 -","4","1","","Kaenpracha, Chaowat; Katrun, Praewpan; Chainok, Kittipong; Sukpattanacharoen, Chattarika; Kungwan, Nawee; Boonmak, Jaursup","Photoinduced enhancement of intraligand charge-transfer of a crystalline 3,3′-diindolyl(3-pyridyl)methane","CrystEngComm","2024","26","10","1438","1443","10.1039/D3CE01283B","","","0.71073","MoKα","","0.1776","0.1189","","","0.3019","0.4517","","","","","","1.619","","","","has coordinates","290881","2024-04-04","23:05:30",""
"7248113","14.4915","0.0018","9.3952","0.0009","15.0402","0.0019","90","","112.575","0.004","90","","1890.8","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 N3 O -","- C23 H21 N3 O -","- C92 H84 N12 O4 -","4","1","","Kaenpracha, Chaowat; Katrun, Praewpan; Chainok, Kittipong; Sukpattanacharoen, Chattarika; Kungwan, Nawee; Boonmak, Jaursup","Photoinduced enhancement of intraligand charge-transfer of a crystalline 3,3′-diindolyl(3-pyridyl)methane","CrystEngComm","2024","26","10","1438","1443","10.1039/D3CE01283B","","","0.71073","MoKα","","0.1787","0.1197","","","0.3027","0.4518","","","","","","1.6254","","","","has coordinates","290881","2024-04-04","23:05:30",""
"7248114","14.5114","0.0018","9.3994","0.0011","15.0586","0.0018","90","","112.506","0.004","90","","1897.5","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 N3 O -","- C23 H21 N3 O -","- C92 H84 N12 O4 -","4","1","","Kaenpracha, Chaowat; Katrun, Praewpan; Chainok, Kittipong; Sukpattanacharoen, Chattarika; Kungwan, Nawee; Boonmak, Jaursup","Photoinduced enhancement of intraligand charge-transfer of a crystalline 3,3′-diindolyl(3-pyridyl)methane","CrystEngComm","2024","26","10","1438","1443","10.1039/D3CE01283B","","","0.71073","MoKα","","0.1548","0.1083","","","0.2779","0.4118","","","","","","1.5726","","","","has coordinates","290881","2024-04-04","23:05:30",""
"7248115","14.4807","0.0019","9.3916","0.001","15.0389","0.0019","90","","112.567","0.004","90","","1888.6","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 N3 O -","- C23 H21 N3 O -","- C92 H84 N12 O4 -","4","1","","Kaenpracha, Chaowat; Katrun, Praewpan; Chainok, Kittipong; Sukpattanacharoen, Chattarika; Kungwan, Nawee; Boonmak, Jaursup","Photoinduced enhancement of intraligand charge-transfer of a crystalline 3,3′-diindolyl(3-pyridyl)methane","CrystEngComm","2024","26","10","1438","1443","10.1039/D3CE01283B","","","0.71073","MoKα","","0.173","0.1119","","","0.2865","0.4333","","","","","","1.5304","","","","has coordinates","290881","2024-04-04","23:05:30",""
"7248116","14.4804","0.0019","9.3873","0.001","15.0373","0.0019","90","","112.596","0.004","90","","1887.1","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 N3 O -","- C23 H21 N3 O -","- C92 H84 N12 O4 -","4","1","","Kaenpracha, Chaowat; Katrun, Praewpan; Chainok, Kittipong; Sukpattanacharoen, Chattarika; Kungwan, Nawee; Boonmak, Jaursup","Photoinduced enhancement of intraligand charge-transfer of a crystalline 3,3′-diindolyl(3-pyridyl)methane","CrystEngComm","2024","26","10","1438","1443","10.1039/D3CE01283B","","","0.71073","MoKα","","0.1708","0.1228","","","0.3134","0.4094","","","","","","1.5692","","","","has coordinates","290881","2024-04-04","23:05:30",""
"7248117","14.5277","0.0005","9.4021","0.0004","15.0821","0.0006","90","","112.559","0.001","90","","1902.45","0.13","296.15","","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 N3 O -","- C23 H21 N3 O -","- C92 H84 N12 O4 -","4","1","","Kaenpracha, Chaowat; Katrun, Praewpan; Chainok, Kittipong; Sukpattanacharoen, Chattarika; Kungwan, Nawee; Boonmak, Jaursup","Photoinduced enhancement of intraligand charge-transfer of a crystalline 3,3′-diindolyl(3-pyridyl)methane","CrystEngComm","2024","26","10","1438","1443","10.1039/D3CE01283B","","","0.71073","MoKα","","0.0964","0.0746","","","0.1557","0.1672","","","","","","1.0891","","","","has coordinates","290881","2024-04-04","23:05:30",""
"7248124","8.6215","0.0005","26.4188","0.0014","11.3368","0.0005","90","","101.383","0.002","90","","2531.4","0.2","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H27 F6 N4 O8 P -","- C19 H27 F6 N4 O8 P -","- C76 H108 F24 N16 O32 P4 -","4","1","","Xu, Yu-Ru; Zheng, Wen-Hui; Fang, Zong-Bin; Huang, Jian-Cai; Wu, Shu-Ting","Crystal structures and stimuli-responsive properties for three novel D–A type salicylhydrazide–viologen compounds with free radical properties under ambient conditions","CrystEngComm","2024","26","11","1527","1533","10.1039/D3CE01287E","","","0.71073","MoKα","","0.0605","0.0408","","","0.0907","0.0984","","","","","","1.038","","","","has coordinates","290897","2024-04-04","23:09:18",""
"7248125","5.7747","0.0004","12.6277","0.001","28.442","0.002","90","","95.394","0.002","90","","2064.8","0.3","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 F6 N4 O4 P -","- C19 H19 F6 N4 O4 P -","- C76 H76 F24 N16 O16 P4 -","4","1","","Xu, Yu-Ru; Zheng, Wen-Hui; Fang, Zong-Bin; Huang, Jian-Cai; Wu, Shu-Ting","Crystal structures and stimuli-responsive properties for three novel D–A type salicylhydrazide–viologen compounds with free radical properties under ambient conditions","CrystEngComm","2024","26","11","1527","1533","10.1039/D3CE01287E","","","0.71073","MoKα","","0.078","0.0457","","","0.1085","0.1237","","","","","","1.027","","","","has coordinates","290897","2024-04-04","23:09:18",""
"7248126","22.036","0.011","10.119","0.005","22.787","0.011","90","","90","","90","","5081","4","296","2","296.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H24 F6 N5 O4 P -","- C22 H24 F6 N5 O4 P -","- C176 H192 F48 N40 O32 P8 -","8","1","","Xu, Yu-Ru; Zheng, Wen-Hui; Fang, Zong-Bin; Huang, Jian-Cai; Wu, Shu-Ting","Crystal structures and stimuli-responsive properties for three novel D–A type salicylhydrazide–viologen compounds with free radical properties under ambient conditions","CrystEngComm","2024","26","11","1527","1533","10.1039/D3CE01287E","","","0.71073","MoKα","","0.1386","0.0581","","","0.1323","0.1675","","","","","","1.015","","","","has coordinates","290897","2024-04-04","23:09:18",""
"7248131","16.589","0.002","8.8658","0.0011","8.1243","0.0011","90","","103.606","0.004","90","","1161.3","0.3","102","2","102","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 O3 -","- C12 H18 O3 -","- C48 H72 O12 -","4","1","","Zakharychev, Dmitry V.; Fayzullin, Robert R.","Solubility- and melting-based approaches to evaluate the inner-crystal enantiophobia and enantiophilia undergoing a structural change within a homologous series, exemplified by chiral glycerol ethers","CrystEngComm","2024","26","11","1571","1582","10.1039/D3CE01196H","","x-ray","0.71073","MoKα","","0.0688","0.0555","","","0.1408","0.1489","","","","","","1.086","","","","has coordinates","290902","2024-04-04","23:10:13",""
"7248132","4.8347","0.0001","20.8619","0.0005","22.8684","0.0006","90","","90","","90","","2306.53","0.09","102","2","102","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 O3 -","- C12 H18 O3 -","- C96 H144 O24 -","8","2","","Zakharychev, Dmitry V.; Fayzullin, Robert R.","Solubility- and melting-based approaches to evaluate the inner-crystal enantiophobia and enantiophilia undergoing a structural change within a homologous series, exemplified by chiral glycerol ethers","CrystEngComm","2024","26","11","1571","1582","10.1039/D3CE01196H","","x-ray","0.71073","MoKα","","0.0549","0.0463","","","0.1149","0.1206","","","","","","1.068","","","","has coordinates","290902","2024-04-04","23:10:14",""
"7248133","5.6513","0.0012","19.384","0.004","18.237","0.004","90","","98.331","0.008","90","","1976.7","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 N5 Pb S2 -","- C20 H15 N5 Pb S2 -","- C80 H60 N20 Pb4 S8 -","4","1","","Eftekhari-Sis, Bagher; García-Santos, Isabel; Castiñeiras, Alfonso; Mahmoudi, Ghodrat; Zangrando, Ennio; Frontera, Antonio; Safin, Damir A.","On the pivotal role of tetrel bonding in the supramolecular architectures of PbII–NCS complexes with chelating thiosemicarbazide derivatives","CrystEngComm","2024","26","11","1637","1646","10.1039/D3CE01207G","","","0.71073","MoKα","","0.1394","0.1221","","","0.2664","0.2754","","","","","","1.235","","","","has coordinates","290896","2024-04-04","23:09:02",""
"7248134","7.8039","0.0004","11.1545","0.0007","33.709","0.002","90","","90.944","0.002","90","","2933.9","0.3","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C9 H9 N7 Pb S3 -","- C9 H9 N7 Pb S3 -","- C72 H72 N56 Pb8 S24 -","8","1","","Eftekhari-Sis, Bagher; García-Santos, Isabel; Castiñeiras, Alfonso; Mahmoudi, Ghodrat; Zangrando, Ennio; Frontera, Antonio; Safin, Damir A.","On the pivotal role of tetrel bonding in the supramolecular architectures of PbII–NCS complexes with chelating thiosemicarbazide derivatives","CrystEngComm","2024","26","11","1637","1646","10.1039/D3CE01207G","","","0.71073","MoKα","","0.0235","0.018","","","0.0337","0.0351","","","","","","1.035","","","","has coordinates,has disorder","290896","2024-04-04","23:09:02",""
"7248135","6.9411","0.0004","8.1607","0.0005","10.8395","0.0007","97.201","0.003","93.084","0.002","107.496","0.002","578.25","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H7 N7 Pb S2 -","- C7 H7 N7 Pb S2 -","- C14 H14 N14 Pb2 S4 -","2","1","","Eftekhari-Sis, Bagher; García-Santos, Isabel; Castiñeiras, Alfonso; Mahmoudi, Ghodrat; Zangrando, Ennio; Frontera, Antonio; Safin, Damir A.","On the pivotal role of tetrel bonding in the supramolecular architectures of PbII–NCS complexes with chelating thiosemicarbazide derivatives","CrystEngComm","2024","26","11","1637","1646","10.1039/D3CE01207G","","","0.71073","MoKα","","0.0289","0.0206","","","0.0313","0.0337","","","","","","1.054","","","","has coordinates","290896","2024-04-04","23:09:02",""
"7248136","9.1603","0.0007","11.1181","0.0008","11.9004","0.0009","90","","110.772","0.009","90","","1133.22","0.16","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 N2 O3 -","- C10 H14 N2 O3 -","- C40 H56 N8 O12 -","4","1","","Hussain, Mohammed Noorul; Van Meervelt, Luc; Van Gerven, Tom","Crystallization of para-aminobenzoic acid forms from specific solvents","CrystEngComm","2024","26","11","1647","1656","10.1039/D3CE01055D","","x-ray","0.71073","MoKα","","0.068","0.051","","","0.1402","0.1563","","","","","","1.039","","","","has coordinates","290901","2024-04-04","23:10:07",""
"7248137","8.8896","0.0001","4.3363","0.0001","17.221","0.0002","90","","90","","90","","663.835","0.019","293","","293","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba2 Mn S3 -","- Ba2 Mn S3 -","- Ba8 Mn4 S12 -","4","0.5","","Moore, Benjamin J.; Cui, Z. X.; Liu, Y.; Gutmann, Matthias J.; Teather, E. N.; Orlandi, Fabio; Balz, Christian; Manuel, Pascal; Perry, R. S.","Crystal growth of ternary metal sulfides from an open melt: Ba2MnS3","CrystEngComm","2024","26","10","1444","1452","10.1039/D3CE00977G","","neutron","","neutron","","0.0644","0.0644","","","0.097","0.097","","","","1.91","1.91","1.91","","","","has coordinates","290879","2024-04-04","23:03:55",""
"7248138","8.824","0.0001","4.3415","0.0001","17.1357","0.0002","90","","90","","90","","656.458","0.019","25","","25","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba2 Mn S3 -","- Ba2 Mn S3 -","- Ba8 Mn4 S12 -","4","0.5","","Moore, Benjamin J.; Cui, Z. X.; Liu, Y.; Gutmann, Matthias J.; Teather, E. N.; Orlandi, Fabio; Balz, Christian; Manuel, Pascal; Perry, R. S.","Crystal growth of ternary metal sulfides from an open melt: Ba2MnS3","CrystEngComm","2024","26","10","1444","1452","10.1039/D3CE00977G","","neutron","","neutron","","0.0699","0.0699","","","0.1067","0.1067","","","","1.4","1.4","1.4","","","","has coordinates","290879","2024-04-04","23:03:55",""
"7248139","10.6395","0.0003","28.9664","0.0008","10.5656","0.0004","90","","114.341","0.001","90","","2966.74","0.16","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H23.17 Cd N6 O4.58 -","- C35 H23.1666 Cd N6 O4.5833 -","- C140 H92.6664 Cd4 N24 O18.3332 -","4","1","","Huang, Zi-Qing; Chen, Jia-Qi; Zhang, Xiao-Yu; Yuan, Cheng-Kai; Wang, Peng; Zhao, Yue; Zhao, Bao-Cheng; Qi, Wei-Xin; Sun, Wei-Yin","Cd(ii) and Zn(ii) coordination polymer-assisted CO2/cyclohexene oxide copolymerization with a double metal cyanide catalyst","CrystEngComm","2024","26","12","1701","1709","10.1039/D3CE01289A","","","0.71073","MoKα","","0.0308","0.0279","","","0.0646","0.0669","","","","","","1.06","","","","has coordinates","290906","2024-04-04","23:12:04",""
"7248140","8.8685","0.0009","10.2782","0.0011","16.752","0.002","95.095","0.007","101.142","0.006","110.208","0.005","1385.8","0.3","193","","193","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H26 N6 O7 Zn -","- C31 H20 N6 O4 Zn -","- C62 H40 N12 O8 Zn2 -","2","1","","Huang, Zi-Qing; Chen, Jia-Qi; Zhang, Xiao-Yu; Yuan, Cheng-Kai; Wang, Peng; Zhao, Yue; Zhao, Bao-Cheng; Qi, Wei-Xin; Sun, Wei-Yin","Cd(ii) and Zn(ii) coordination polymer-assisted CO2/cyclohexene oxide copolymerization with a double metal cyanide catalyst","CrystEngComm","2024","26","12","1701","1709","10.1039/D3CE01289A","","x-ray","1.34139","GaKα","","0.1133","0.0967","","","0.2581","0.2755","","","","","","1.041","","","","has coordinates","290906","2024-04-04","23:12:04",""
"7248141","18.1361","0.0009","18.1361","0.0009","26.421","0.002","90","","90","","90","","8690.3","0.9","193","","193","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C43 H40 Cd N10 O12 -","- C37 H22 Cd N8 O8 -","- C296 H176 Cd8 N64 O64 -","8","1","","Huang, Zi-Qing; Chen, Jia-Qi; Zhang, Xiao-Yu; Yuan, Cheng-Kai; Wang, Peng; Zhao, Yue; Zhao, Bao-Cheng; Qi, Wei-Xin; Sun, Wei-Yin","Cd(ii) and Zn(ii) coordination polymer-assisted CO2/cyclohexene oxide copolymerization with a double metal cyanide catalyst","CrystEngComm","2024","26","12","1701","1709","10.1039/D3CE01289A","","x-ray","1.34139","GaKα","","0.0381","0.0314","","","0.0795","0.0823","","","","","","1.034","","","","has coordinates","290906","2024-04-04","23:12:04",""
"7248144","17.8139","0.0006","12.4929","0.0004","19.4102","0.0007","90","","110.782","0.001","90","","4038.6","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H24 Co N11 O15 Tb -","- C36 H24 Co N11 O15 Tb -","- C144 H96 Co4 N44 O60 Tb4 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0495","0.0316","","","0.0691","0.0763","","","","","","0.993","","","","has coordinates,has disorder","290903","2024-04-04","23:11:17",""
"7248145","27.417","0.002","13.0209","0.0012","27.138","0.002","90","","104.446","0.003","90","","9381.8","1.3","150","2","150","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C38 H27 Co N12 O15 Tb -","- C38 H27 Co N12 O15 Tb -","- C304 H216 Co8 N96 O120 Tb8 -","8","2","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.1071","0.0836","","","0.196","0.2126","","","","","","1.179","","","","has coordinates,has disorder","290903","2024-04-04","23:11:17",""
"7248146","12.6274","0.0009","17.4622","0.0013","21.5945","0.0016","90","","90","","90","","4761.6","0.6","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H33 Co N14 O15 Tb -","- C42 H33 Co N14 O15 Tb -","- C168 H132 Co4 N56 O60 Tb4 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0337","0.0296","","","0.0727","0.0744","","","","","","1.075","","","","has coordinates,has disorder","290903","2024-04-04","23:11:17",""
"7248147","17.794","0.0004","12.4847","0.0003","19.409","0.0004","90","","110.851","0.001","90","","4029.38","0.16","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H24 Co Dy N11 O15 -","- C36 H24 Co Dy N11 O15 -","- C144 H96 Co4 Dy4 N44 O60 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0363","0.0273","","","0.0699","0.0741","","","","","","1.068","","","","has coordinates,has disorder","290903","2024-04-04","23:11:17",""
"7248148","17.8105","0.0005","12.4596","0.0005","19.4286","0.0006","90","","110.544","0.001","90","","4037.2","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H24 N11 O15 Y Zn -","- C36 H24 N11 O15 Y Zn -","- C144 H96 N44 O60 Y4 Zn4 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0827","0.0429","","","0.0683","0.0765","","","","","","1.08","","","","has coordinates,has disorder","290903","2024-04-04","23:11:17",""
"7248149","17.7131","0.0004","12.4943","0.0003","19.302","0.0005","90","","110.611","0.001","90","","3998.35","0.17","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H24 N11 Ni O15 Y -","- C36 H24 N11 Ni O15 Y -","- C144 H96 N44 Ni4 O60 Y4 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0691","0.0387","","","0.0868","0.0985","","","","","","1.002","","","","has coordinates,has disorder","290903","2024-04-04","23:11:17",""
"7248150","17.7823","0.0006","12.4756","0.0004","19.4154","0.0007","90","","110.848","0.001","90","","4025.2","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H24 Co N11 O15 Y -","- C36 H24 Co N11 O15 Y -","- C144 H96 Co4 N44 O60 Y4 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0714","0.0398","","","0.0869","0.0998","","","","","","0.958","","","","has coordinates,has disorder","290903","2024-04-04","23:11:17",""
"7248151","12.834","0.0006","17.5509","0.0009","21.6296","0.0012","90","","90","","90","","4872","0.4","300","2","300","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H33 N14 Ni O15 Y -","- C42 H33 N14 Ni O15 Y -","- C168 H132 N56 Ni4 O60 Y4 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.1107","0.0592","","","0.135","0.1592","","","","","","1.023","","","","has coordinates,has disorder","290903","2024-04-04","23:11:17",""
"7248152","12.689","0.0007","17.3285","0.0008","21.5711","0.0009","90","","90","","90","","4743.1","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H33 N14 O15 Y Zn -","- C42 H33 N14 O15 Y Zn -","- C168 H132 N56 O60 Y4 Zn4 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0683","0.042","","","0.0779","0.089","","","","","","1.04","","","","has coordinates,has disorder","290903","2024-04-04","23:11:17",""
"7248153","12.6343","0.0003","17.4984","0.0004","21.6439","0.0005","90","","90","","90","","4785.03","0.19","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H33 Co Dy N14 O15 -","- C42 H33 Co Dy N14 O15 -","- C168 H132 Co4 Dy4 N56 O60 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0344","0.0287","","","0.0664","0.0688","","","","","","0.993","","","","has coordinates,has disorder","290903","2024-04-04","23:11:17",""
"7248154","12.66","0.002","17.879","0.004","22.64","0.005","90","","90","","90","","5124.5","1.8","400","2","400","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H32 La N13 Ni O15 -","- C48 H32 La N13 Ni O15 -","- C192 H128 La4 N52 Ni4 O60 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.1588","0.0472","","","0.1103","0.1608","","","","","","0.735","","","","has coordinates","290903","2024-04-04","23:11:17",""
"7248155","12.602","0.0005","17.3989","0.0007","21.5392","0.001","90","","90","","90","","4722.7","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H33 Co N14 O15 Y -","- C42 H33 Co N14 O15 Y -","- C168 H132 Co4 N56 O60 Y4 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0568","0.0463","","","0.0948","0.0984","","","","","","1.086","","","","has coordinates,has disorder","290903","2024-04-04","23:11:17",""
"7248156","12.7677","0.0007","17.414","0.0008","21.6944","0.001","90","","90","","90","","4823.5","0.4","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H33 N14 O15 Y Zn -","- C42 H33 N14 O15 Y Zn -","- C168 H132 N56 O60 Y4 Zn4 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0671","0.0397","","","0.0766","0.0878","","","","","","1.053","","","","has coordinates,has disorder","290903","2024-04-04","23:11:17",""
"7248157","12.6828","0.0004","17.3643","0.0006","21.4063","0.0008","90","","90","","90","","4714.3","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H33 N14 Ni O15 Y -","- C42 H33 N14 Ni O15 Y -","- C168 H132 N56 Ni4 O60 Y4 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0566","0.0387","","","0.0781","0.0842","","","","","","1.009","","","","has coordinates,has disorder","290903","2024-04-04","23:11:17",""
"7248158","12.453","0.004","17.82","0.006","22.217","0.008","90","","90","","90","","4930","3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H32 Co N13 Nd O15 -","- C48 H32 Co N13 Nd O15 -","- C192 H128 Co4 N52 Nd4 O60 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.1461","0.1429","","","0.3434","0.3452","","","","","","1.438","","","","has coordinates","290903","2024-04-04","23:11:17",""
"7248159","12.4662","0.0018","17.717","0.003","22.612","0.003","90","","90","","90","","4994.2","1.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H32 La N13 O15 Zn -","- C48 H32 La N13 O15 Zn -","- C192 H128 La4 N52 O60 Zn4 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.214","0.0938","","","0.2497","0.2816","","","","","","1.184","","","","has coordinates","290903","2024-04-04","23:11:17",""
"7248160","12.4224","0.0004","20.0351","0.0009","22.1111","0.001","90","","90","","90","","5503.1","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C54 H41 La N16 Ni O15 -","- C54 H41 La N16 Ni O15 -","- C216 H164 La4 N64 Ni4 O60 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0604","0.0442","","","0.0917","0.0995","","","","","","0.856","","","","has coordinates","290903","2024-04-04","23:11:17",""
"7248161","12.5205","0.0004","20.2855","0.0005","22.2201","0.0006","90","","90","","90","","5643.6","0.3","250","2","250","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C54 H41 Co La N16 O15 -","- C54 H41 Co La N16 O15 -","- C216 H164 Co4 La4 N64 O60 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0346","0.0281","","","0.0503","0.0527","","","","","","1","","","","has coordinates","290903","2024-04-04","23:11:18",""
"7248162","12.5426","0.0018","20.322","0.004","22.424","0.004","90","","90","","90","","5715.7","1.7","340","2","340","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C54 H41 La N16 Ni O15 -","- C54 H41 La N16 Ni O15 -","- C216 H164 La4 N64 Ni4 O60 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.1233","0.0508","","","0.0912","0.1106","","","","","","0.858","","","","has coordinates","290903","2024-04-04","23:11:18",""
"7248163","12.4132","0.0007","20.1554","0.0012","22.077","0.0013","90","","90","","90","","5523.5","0.6","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C54 H41 Co N16 Nd O15 -","- C54 H41 Co N16 Nd O15 -","- C216 H164 Co4 N64 Nd4 O60 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0429","0.0329","","","0.0588","0.0636","","","","","","1.082","","","","has coordinates","290903","2024-04-04","23:11:18",""
"7248164","12.4889","0.0008","20.1897","0.0013","21.9131","0.0017","90","","90","","90","","5525.3","0.7","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C54 H41 La N16 O15 Zn -","- C54 H41 La N16 O15 Zn -","- C216 H164 La4 N64 O60 Zn4 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0488","0.0337","","","0.0568","0.0617","","","","","","0.997","","","","has coordinates","290903","2024-04-04","23:11:18",""
"7248165","12.6555","0.0006","17.9417","0.0008","22.6477","0.001","90","","90","","90","","5142.4","0.4","400","2","400","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H32 Co La N13 O15 -","- C48 H32 Co La N13 O15 -","- C192 H128 Co4 La4 N52 O60 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.1175","0.0499","","","0.0648","0.0791","","","","","","1.044","","","","has coordinates","290903","2024-04-04","23:11:18",""
"7248166","12.555","0.002","20.342","0.004","22.458","0.005","90","","90","","90","","5735.6","1.9","360","2","360","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C54 H41 La N16 Ni O15 -","- C54 H41 La N16 Ni O15 -","- C216 H164 La4 N64 Ni4 O60 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.1527","0.0572","","","0.106","0.1285","","","","","","0.909","","","","has coordinates","290903","2024-04-04","23:11:18",""
"7248167","12.5969","0.0005","17.4194","0.0007","21.5508","0.0009","90","","90","","90","","4728.9","0.3","103","2","103","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H33 Co Dy N14 O15 -","- C42 H33 Co Dy N14 O15 -","- C168 H132 Co4 Dy4 N56 O60 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0487","0.0365","","","0.0791","0.0883","","","","","","1.039","","","","has coordinates,has disorder","290903","2024-04-04","23:11:18",""
"7248168","12.5118","0.0016","20.32","0.003","22.341","0.003","90","","90","","90","","5680","1.3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C216 H164 Co4 N64 Nd4 O60 -","- C216 H164 Co4 N64 Nd4 O60 -","- C216 H164 Co4 N64 Nd4 O60 -","1","0.25","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0622","0.0543","","","0.1105","0.1141","","","","","","0.95","","","","has coordinates","290903","2024-04-04","23:11:18",""
"7248169","12.5614","0.0018","20.372","0.003","22.451","0.003","90","","90","","90","","5745.2","1.4","350","2","350","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C54 H41 Co La N16 O15 -","- C54 H41 Co La N16 O15 -","- C216 H164 Co4 La4 N64 O60 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.1297","0.0972","","","0.2523","0.272","","","","","","1.201","","","","has coordinates","290903","2024-04-04","23:11:18",""
"7248170","12.6065","0.0014","17.994","0.0017","22.46","0.002","90","","90","","90","","5094.9","0.9","380","2","380","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H32 Co N13 O15 Sm -","- C48 H32 Co N13 O15 Sm -","- C192 H128 Co4 N52 O60 Sm4 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.1164","0.0823","","","0.2057","0.2288","","","","","","1.11","","","","has coordinates","290903","2024-04-04","23:11:18",""
"7248171","12.4723","0.0008","20.1964","0.001","22.0456","0.0011","90","","90","","90","","5553.2","0.5","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C54 H41 Co La N16 O15 -","- C54 H41 Co La N16 O15 -","- C216 H164 Co4 La4 N64 O60 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0478","0.0347","","","0.0588","0.0629","","","","","","1.022","","","","has coordinates","290903","2024-04-04","23:11:18",""
"7248172","12.4812","0.0007","20.2883","0.0013","22.2801","0.0015","90","","90","","90","","5641.8","0.6","300","2","300","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C54 H41 Co N16 O15 Sm -","- C54 H41 Co N16 O15 Sm -","- C216 H164 Co4 N64 O60 Sm4 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0345","0.0284","","","0.0615","0.0641","","","","","","1.029","","","","has coordinates","290903","2024-04-04","23:11:18",""
"7248173","12.4061","0.001","20.1133","0.0017","21.9689","0.0019","90","","90","","90","","5481.8","0.8","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C54 H41 Co N16 O15 Sm -","- C54 H41 Co N16 O15 Sm -","- C216 H164 Co4 N64 O60 Sm4 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0352","0.0324","","","0.0783","0.0799","","","","","","1.01","","","","has coordinates","290903","2024-04-04","23:11:18",""
"7248174","12.4652","0.0006","17.7628","0.0008","22.4407","0.001","90","","90","","90","","4968.7","0.4","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H32 Co La N13 O15 -","- C48 H32 Co La N13 O15 -","- C192 H128 Co4 La4 N52 O60 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0429","0.0348","","","0.0683","0.0715","","","","","","1.038","","","","has coordinates","290903","2024-04-04","23:11:18",""
"7248175","8.112","0.001","8.112","0.001","4.9862","0.0006","90","","90","","120","","284.16","0.06","","","","","","","","","","","","5","P 3 2 1","P 3 2""","150","","Tricalcium Tantalum Trigallodisilicate","Langasite","- Ca3 Ga3 O14 Si2 Ta -","- Ca3 Ga3 O14 Si2 Ta -","- Ca3 Ga3 O14 Si2 Ta -","1","0.166667","","Ai, Lei; Sun, Zhigang; Jiang, Linwen; Pan, Jianguo; Zheng, Yanqing; Pan, Shangke","Piezoelectric properties of (Sr0.2Ca0.8)3TaGa3Si2O14 and Ca3TaGa3Si2O14 single crystals grown via vertical Bridgman method","CrystEngComm","2024","26","11","1550","1555","10.1039/D3CE01126G","","","","","","0.098","","","","","","","","","","","","","","","has coordinates","290899","2024-04-04","23:09:52",""
"7248176","14.3117","0.0004","3.9776","0.0001","26.9681","0.0005","90","","104.512","0.002","90","","1486.21","0.06","299.63","0.1","299.63","0.1","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","(E)-1,2-bis(2-pyridyl)ethene and pentachloroiodobenzene cocrystal","","- C24 H10 Cl10 I2 N2 -","- C24 H10 Cl10 I2 N2 -","- C48 H20 Cl20 I4 N4 -","2","0.5","","Andren, Max; Bosch, Eric; Krueger, Herman R.; Groeneman, Ryan H.","Achieving a series of solid-state [2 + 2] cycloaddition reactions involving 1,2-bis(2-pyridyl)ethylene within halogen-bonded co-crystals","CrystEngComm","2024","26","10","1349","1352","10.1039/D4CE00097H","","","1.54184","CuKα","","0.062","0.0539","","","0.1513","0.1583","","","","","","1.0324","","","","has coordinates","290876","2024-04-04","23:03:23",""
"7248187","11.142","0.0014","6.8138","0.0008","13.6024","0.0017","90","","102.714","0.004","90","","1007.4","0.2","297","2","297","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 O6 -","- C11 H10 O6 -","- C44 H40 O24 -","4","1","","Rashid, Showkat; Husain, Ahmad; Bhat, Bilal A.; Mehta, Goverdhan","Incisive analysis of hydrogen-bonded supramolecular architectures in designer polycyclitols: observation of some interesting self-assembly patterns","CrystEngComm","2024","26","14","1952","1961","10.1039/D4CE00010B","","","0.71073","MoKα","","0.0756","0.0502","","","0.1095","0.1188","","","","","","1.067","","","","has coordinates","290891","2024-04-04","23:07:54",""
"7248188","12.0789","0.0003","10.0528","0.0002","8.6569","0.0002","90","","90","","90","","1051.18","0.04","298","","298","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C11 H12 O7 -","- C11 H12 O7 -","- C44 H48 O28 -","4","1","","Rashid, Showkat; Husain, Ahmad; Bhat, Bilal A.; Mehta, Goverdhan","Incisive analysis of hydrogen-bonded supramolecular architectures in designer polycyclitols: observation of some interesting self-assembly patterns","CrystEngComm","2024","26","14","1952","1961","10.1039/D4CE00010B","","x-ray","0.71073","MoKα","","0.0306","0.0284","","","0.0709","0.0723","","","","","","1.092","","","","has coordinates","290891","2024-04-04","23:07:54",""
"7248189","6.568","0.0002","27.9778","0.0008","12.4818","0.0004","90","","92.584","0.003","90","","2291.3","0.12","295.5","0.2","295.5","0.2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C11 H12 O7 -","- C11 H12 O7 -","- C88 H96 O56 -","8","2","","Rashid, Showkat; Husain, Ahmad; Bhat, Bilal A.; Mehta, Goverdhan","Incisive analysis of hydrogen-bonded supramolecular architectures in designer polycyclitols: observation of some interesting self-assembly patterns","CrystEngComm","2024","26","14","1952","1961","10.1039/D4CE00010B","","x-ray","0.71073","MoKα","","0.0733","0.0504","","","0.1278","0.1414","","","","","","1.091","","","","has coordinates","290891","2024-04-04","23:07:54",""
"7248190","10.7437","0.0012","6.9554","0.0007","12.3782","0.0014","90","","92.629","0.004","90","","924.01","0.17","298","2","298.03","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H12 O5 -","- C10 H12 O5 -","- C40 H48 O20 -","4","1","","Rashid, Showkat; Husain, Ahmad; Bhat, Bilal A.; Mehta, Goverdhan","Incisive analysis of hydrogen-bonded supramolecular architectures in designer polycyclitols: observation of some interesting self-assembly patterns","CrystEngComm","2024","26","14","1952","1961","10.1039/D4CE00010B","","","0.71073","MoKα","","0.0365","0.035","","","0.0867","0.0878","","","","","","1.097","","","","has coordinates","290891","2024-04-04","23:07:54",""
"7248191","7.1276","0.0008","7.5031","0.0008","11.3065","0.0013","98.614","0.006","105.39","0.007","105.364","0.007","546.17","0.11","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C11 H12 O8 -","- C11 H12 O8 -","- C22 H24 O16 -","2","1","","Rashid, Showkat; Husain, Ahmad; Bhat, Bilal A.; Mehta, Goverdhan","Incisive analysis of hydrogen-bonded supramolecular architectures in designer polycyclitols: observation of some interesting self-assembly patterns","CrystEngComm","2024","26","14","1952","1961","10.1039/D4CE00010B","","","0.71073","MoKα","","0.1111","0.0797","","","0.2047","0.2305","","","","","","1.128","","","","has coordinates","290891","2024-04-04","23:07:54",""
"7248192","13.0318","0.0013","7.7973","0.0008","9.8712","0.001","90","","106.032","0.003","90","","964.03","0.17","213","2","213","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C3 H8 N8 O6 -","- C3 H8 N8 O6 -","- C12 H32 N32 O24 -","4","1","","Zhao, Pinxu; Lin, Qiuhan; Huang, Haifeng; Li, Xiaoqiang; Yang, Jun","Synthesis of energetic salts based on 4-nitro-5-dinitromethyl-1,2,3-1H-triazole","CrystEngComm","2024","26","12","1730","1737","10.1039/D3CE01184D","","","0.71073","MoKα","","0.0754","0.074","","","0.1912","0.1944","","","","","","1.081","","","","has coordinates","290907","2024-04-04","23:12:12",""
"7248193","8.7186","0.0002","11.5384","0.0003","8.1605","0.0002","90","","93.994","0.001","90","","818.94","0.03","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3 H K N6 O6 -","- C3 H K N6 O6 -","- C12 H4 K4 N24 O24 -","4","1","","Zhao, Pinxu; Lin, Qiuhan; Huang, Haifeng; Li, Xiaoqiang; Yang, Jun","Synthesis of energetic salts based on 4-nitro-5-dinitromethyl-1,2,3-1H-triazole","CrystEngComm","2024","26","12","1730","1737","10.1039/D3CE01184D","","","0.71073","MoKα","","0.0231","0.0222","","","0.0596","0.0602","","","","","","1.034","","","","has coordinates","290907","2024-04-04","23:12:12",""
"7248194","17.215","0.002","6.5819","0.0007","13.6351","0.0018","90","","107.543","0.004","90","","1473.1","0.3","213","2","213","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H14 N14 O6 -","- C5 H14 N14 O6 -","- C20 H56 N56 O24 -","4","1","","Zhao, Pinxu; Lin, Qiuhan; Huang, Haifeng; Li, Xiaoqiang; Yang, Jun","Synthesis of energetic salts based on 4-nitro-5-dinitromethyl-1,2,3-1H-triazole","CrystEngComm","2024","26","12","1730","1737","10.1039/D3CE01184D","","","0.71073","MoKα","","0.0564","0.0436","","","0.1094","0.1206","","","","","","1.03","","","","has coordinates","290907","2024-04-04","23:12:12",""
"7248195","13.6418","0.0005","9.7046","0.0003","8.1716","0.0003","90","","102.117","0.001","90","","1057.72","0.06","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H10 N10 O6 -","- C3 H10 N10 O6 -","- C12 H40 N40 O24 -","4","1","","Zhao, Pinxu; Lin, Qiuhan; Huang, Haifeng; Li, Xiaoqiang; Yang, Jun","Synthesis of energetic salts based on 4-nitro-5-dinitromethyl-1,2,3-1H-triazole","CrystEngComm","2024","26","12","1730","1737","10.1039/D3CE01184D","","","0.71073","MoKα","","0.0478","0.0356","","","0.0811","0.0889","","","","","","1.092","","","","has coordinates","290907","2024-04-04","23:12:12",""
"7248196","5.926","0.0012","22.325","0.005","22.507","0.005","90","","90","","90","","2977.6","1.1","220","2","220","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3,6-dichloro-9H-carbazole","","- C12 H7 Cl2 N -","- C12 H7 Cl2 N -","- C144 H84 Cl24 N12 -","12","3","","Ravi, Sasikala; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Halogen atom substitution effect on the carbazole fluorescence properties and supramolecular interactions in the solid-state","CrystEngComm","2024","26","12","1773","1778","10.1039/D4CE00053F","","","0.61","synchrotron","","0.0429","0.0414","","","0.1154","0.1165","","","","","","1.09","","","","has coordinates","290910","2024-04-04","23:12:52",""
"7248197","4.176","0.0008","11.111","0.002","12.236","0.003","90","","93.14","0.03","90","","566.9","0.2","220","2","220","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3,6-diiodo-9H-carbazole","","- C12 H7 I2 N -","- C12 H7 I2 N -","- C24 H14 I4 N2 -","2","1","","Ravi, Sasikala; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Halogen atom substitution effect on the carbazole fluorescence properties and supramolecular interactions in the solid-state","CrystEngComm","2024","26","12","1773","1778","10.1039/D4CE00053F","","","0.63","synchrotron","","0.0534","0.0531","","","0.1386","0.1389","","","","","","1.144","","","","has coordinates","290910","2024-04-04","23:12:52",""
"7248198","6.01","0.0012","23.086","0.005","15.133","0.003","90","","90.8","0.03","90","","2099.5","0.7","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,6-dibromo-9H-carbazole","","- C12 H7 Br2 N -","- C12 H7 Br2 N -","- C96 H56 Br16 N8 -","8","2","","Ravi, Sasikala; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Halogen atom substitution effect on the carbazole fluorescence properties and supramolecular interactions in the solid-state","CrystEngComm","2024","26","12","1773","1778","10.1039/D4CE00053F","","","0.61","synchrotron","","0.0658","0.0618","","","0.1719","0.1752","","","","","","1.077","","","","has coordinates","290910","2024-04-04","23:12:52",""
"7248204","11.7879","0.0006","15.0748","0.0009","11.0619","0.0007","90","","90","","90","","1965.7","0.2","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C22 H15 Cl2 N3 Zn -","- C22 H15 Cl2 N3 Zn -","- C88 H60 Cl8 N12 Zn4 -","4","0.5","","Lee, Pei-Chin; Huang, Tzu-Chiao; Wu, Jing-Yun","Wavelike zinc coordination polymers: anion-modulated ligand conformation and fluorescence detection of 4-aminobenzylamine","CrystEngComm","2024","26","13","1819","1828","10.1039/D3CE01228J","","","0.71073","MoKα","","0.0565","0.0428","","","0.1152","0.1356","","","","","","1.11","","","","has coordinates","290886","2024-04-04","23:06:49",""
"7248205","8.8355","0.0006","18.3846","0.0011","13.1961","0.0008","90","","90.21","0.002","90","","2143.5","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H15 Br2 N3 Zn -","- C22 H15 Br2 N3 Zn -","- C88 H60 Br8 N12 Zn4 -","4","1","","Lee, Pei-Chin; Huang, Tzu-Chiao; Wu, Jing-Yun","Wavelike zinc coordination polymers: anion-modulated ligand conformation and fluorescence detection of 4-aminobenzylamine","CrystEngComm","2024","26","13","1819","1828","10.1039/D3CE01228J","","","0.71073","MoKα","","0.0897","0.0707","","","0.1938","0.215","","","","","","1.079","","","","has coordinates","290886","2024-04-04","23:06:49",""
"7248206","5.0509","0.0005","12.397","0.0014","22.448","0.002","90","","93.489","0.008","90","","1403","0.2","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 N2 O -","- C18 H14 N2 O -","- C72 H56 N8 O4 -","4","1","","Hazarika, Pragyan J.; Gupta, Poonam; Allu, Suryanarayana; Nath, Naba K.","The photomechanical bending and photosalient effect of flexible crystals of an acylhydrazone","CrystEngComm","2024","26","12","1671","1676","10.1039/D3CE01321A","","","0.71073","MoKα","","0.1341","0.0688","","","0.1535","0.1887","","","","","","1.0255","","","","has coordinates","290905","2024-04-04","23:11:46",""
"7248214","9.0027","0.0003","7.527","0.0002","9.0306","0.0004","90","","114.109","0.005","90","","558.56","0.04","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C2 H12 Cl3 Fe N2 O6 -","- C2 H12 Cl3 Fe N2 O6 -","- C4 H24 Cl6 Fe2 N4 O12 -","2","0.5","","Lozančić, Ana; Burazer, Sanja; Renka, Sanja; Molčanov, Krešimir; Molčanov, Lidija; Jurić, Marijana","Proton transport in oxalate compounds of iron(iii) containing (alkyl)ammonium cations: the influence of the density of hydrogen bonds on conductivity","CrystEngComm","2024","26","13","1892","1901","10.1039/D3CE01267K","","","1.54184","CuKα","","0.0831","0.079","","","","0.2251","","","","","","1.149","","","","has coordinates","290888","2024-04-04","23:07:19",""
"7248215","7.488","0.0003","8.597","0.0004","9.896","0.0003","90.603","0.003","99.679","0.003","95.105","0.003","625.28","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H14 Cl2 Fe N O5 -","- C6 H14 Cl2 Fe N O5 -","- C12 H28 Cl4 Fe2 N2 O10 -","2","1","","Lozančić, Ana; Burazer, Sanja; Renka, Sanja; Molčanov, Krešimir; Molčanov, Lidija; Jurić, Marijana","Proton transport in oxalate compounds of iron(iii) containing (alkyl)ammonium cations: the influence of the density of hydrogen bonds on conductivity","CrystEngComm","2024","26","13","1892","1901","10.1039/D3CE01267K","","","1.54184","CuKα","","0.0696","0.0621","","","","0.2126","","","","","","1.448","","","","has coordinates","290888","2024-04-04","23:07:19",""
"7248216","11.2146","0.0005","8.5542","0.0003","15.9856","0.0007","90","","109.469","0.004","90","","1445.85","0.11","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H18 Cl2 Fe N O4 -","- C9 H18 Cl2 Fe N O4 -","- C36 H72 Cl8 Fe4 N4 O16 -","4","1","","Lozančić, Ana; Burazer, Sanja; Renka, Sanja; Molčanov, Krešimir; Molčanov, Lidija; Jurić, Marijana","Proton transport in oxalate compounds of iron(iii) containing (alkyl)ammonium cations: the influence of the density of hydrogen bonds on conductivity","CrystEngComm","2024","26","13","1892","1901","10.1039/D3CE01267K","","","1.54184","CuKα","","0.0807","0.0733","","","","0.1934","","","","","","1.021","","","","has coordinates,has disorder","290888","2024-04-04","23:07:19",""
"7248217","11.2283","0.0016","8.6109","0.0009","16.306","0.003","90","","109.46","0.019","90","","1486.5","0.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H18 Cl2 Fe N O4 -","- C9 H18 Cl2 Fe N O4 -","- C36 H72 Cl8 Fe4 N4 O16 -","4","1","","Lozančić, Ana; Burazer, Sanja; Renka, Sanja; Molčanov, Krešimir; Molčanov, Lidija; Jurić, Marijana","Proton transport in oxalate compounds of iron(iii) containing (alkyl)ammonium cations: the influence of the density of hydrogen bonds on conductivity","CrystEngComm","2024","26","13","1892","1901","10.1039/D3CE01267K","","","1.54184","CuKα","","0.2281","0.153","","","","0.4212","","","","","","1.212","","","","has coordinates","290888","2024-04-04","23:07:19",""
"7248218","34.238","0.002","16.0211","0.0009","33.7881","0.0017","90","","91.078","0.001","90","","18530.5","1.8","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C81 H93 Fe3 N12 O24 -","- C57 H37 Fe3 N4 O16 -","- C456 H296 Fe24 N32 O128 -","8","1","","Wang, Hao; Shi, Le; Cao, Honghao; Xiong, Zhangyi; Ma, Si; Pan, Jun; Chen, Zhijie","Synthesis of an iron-based metal–organic framework with octahedral cages for the selective capture of sulfur hexafluoride","CrystEngComm","2024","26","13","1912","1916","10.1039/D4CE00041B","","","0.71073","MoKα","","0.0814","0.0673","","","0.1948","0.2118","","","","","","1.029","","","","has coordinates","290889","2024-04-04","23:07:31",""
"7248219","13.9706","0.00016","26.3924","0.0003","19.9773","0.0003","90","","90","","90","","7365.98","0.16","100","0.1","100","0.1","","","","","","","","4","P c c n","-P 2ab 2ac","56","Caff-Py","","","- C34 H43 N8 O15.5 -","- C34 H43 N8 O15.5 -","- C272 H344 N64 O124 -","8","1","","Molajafari, Fateme; Li, Tianrui; Abbasichaleshtori, Mehrnaz; Hajian Z. D., Moein; Cozzolino, Anthony F.; Fandrick, Daniel R.; Howe, Joshua D.","Computational screening for prediction of co-crystals: method comparison and experimental validation","CrystEngComm","2024","26","11","1620","1636","10.1039/D3CE01252B","","x-ray","1.54184","CuKα","","0.0553","0.0433","","","0.1127","0.1203","","","","","","1.033","","","","has coordinates","290895","2024-04-04","23:08:54",""
"7248221","14.2663","0.0004","20.3743","0.0006","22.7754","0.0005","90","","97.175","0.001","90","","6568.2","0.3","293","","293","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C118 H124 Ag4 Mo8 N4 O28 P8 -","- C118 H124 Ag4 Mo8 N4 O28 P8 -","- C236 H248 Ag8 Mo16 N8 O56 P16 -","2","0.5","","Yao, Sheng-Jie; Qi, Zhen-Qing; Jiang, Zhan-Guo; Zhan, Cai-Hong","Polyoxometalate templated silver-bisphosphine sandwich: structurally tunable hybrid materials","CrystEngComm","2024","26","13","1798","1805","10.1039/D4CE00106K","","","0.71073","MoKα","","0.0434","0.0295","","","0.0695","0.0762","","","","","","1.044","","","","has coordinates,has disorder","290887","2024-04-04","23:07:03",""
"7248222","11.6266","0.001","12.7787","0.0012","13.669","0.0013","109.407","0.003","96.054","0.003","115.217","0.003","1658.7","0.3","293","","293","","","","","","","","","7","P -1","-P 1","2","","","","- C58 H58 Ag2 Mo6 N2 O19 P4 -","- C58 H58 Ag2 Mo6 N2 O19 P4 -","- C58 H58 Ag2 Mo6 N2 O19 P4 -","1","0.5","","Yao, Sheng-Jie; Qi, Zhen-Qing; Jiang, Zhan-Guo; Zhan, Cai-Hong","Polyoxometalate templated silver-bisphosphine sandwich: structurally tunable hybrid materials","CrystEngComm","2024","26","13","1798","1805","10.1039/D4CE00106K","","","0.71073","MoKα","","0.028","0.0238","","","0.0668","0.0762","","","","","","1.165","","","","has coordinates","290887","2024-04-04","23:07:04",""
"7248223","15.7042","0.001","22.4607","0.0016","20.2442","0.0015","90","","102.668","0.002","90","","6966.9","0.8","273.15","","273.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C108 H104 Ag4 O40 P9 W12 -","- C108 H104 Ag4 O40 P9 W12 -","- C216 H208 Ag8 O80 P18 W24 -","2","0.5","","Yao, Sheng-Jie; Qi, Zhen-Qing; Jiang, Zhan-Guo; Zhan, Cai-Hong","Polyoxometalate templated silver-bisphosphine sandwich: structurally tunable hybrid materials","CrystEngComm","2024","26","13","1798","1805","10.1039/D4CE00106K","","","0.71073","MoKα","","0.0984","0.0656","","","0.1911","0.2166","","","","","","1.04","","","","has coordinates,has disorder","290887","2024-04-04","23:07:04",""
"7248224","14.0626","0.0004","14.8889","0.0003","27.6698","0.0007","100.653","0.001","93.37","0.002","109.707","0.001","5314","0.2","297","","297","","","","","","","","","6","P -1","-P 1","2","","","","- C162 H156 Ag6 Mo24 O80 P14 -","- C162 H156 Ag6 Mo24 O80 P14 -","- C162 H156 Ag6 Mo24 O80 P14 -","1","0.5","","Yao, Sheng-Jie; Qi, Zhen-Qing; Jiang, Zhan-Guo; Zhan, Cai-Hong","Polyoxometalate templated silver-bisphosphine sandwich: structurally tunable hybrid materials","CrystEngComm","2024","26","13","1798","1805","10.1039/D4CE00106K","","","1.54178","CuKα","","0.1021","0.0666","","","0.1547","0.1778","","","","","","1.033","","","","has coordinates","290887","2024-04-04","23:07:04",""
"7248225","21.798","0.0012","6.3399","0.0005","16.8128","0.001","90","","90.723","0.006","90","","2323.3","0.3","250","0.1","250","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,4',4'',4'''-(([2,2'-bi(1,3-dithiolylidene)]-4,4',5,5'-tetrayltetrakis(sulfanediyl))tetrakis(methylene))tetrabenzoic acid, dimethylsufoxide solvate","","- C42 H40 O10 S10 -","- C42 H40 O10 S10 -","- C84 H80 O20 S20 -","2","0.5","","Cheret, Yohan; Avarvari, Narcis; Zigon, Nicolas","Metal–organic polyhedron from a flexible tetrakis(thiobenzyl-carboxylate)-tetrathiafulvalene","CrystEngComm","2024","26","15","2072","2077","10.1039/D3CE01251D","","x-ray","1.54184","CuKα","","0.079","0.0582","","","0.155","0.1759","","","","","","1.029","","","","has coordinates,has disorder","291597","2024-05-05","02:19:06",""
"7248226","19.081","0.003","31.525","0.006","20.06","0.002","90","","104.324","0.015","90","","11692","3","180","0.1","180","0.1","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","[tetrakis(μ~2~-4,4',4'',4'''-(([2,2'-bi(1,3-dithiolylidene)]-4,4',5,5'-tetrayltetrakis(sulfanediyl))tetrakis(methylene))tetrabenzoate-O,O')-bis(water)-di-copper(ii)]4, dimethylformamide solvate","","- C155.9 H101.1 Cu8 N1.3 O41.3 S32 -","- C155.48 H99.5 Cu8 N1.16 O41.16 S32 -","- C310.96 H199 Cu16 N2.32 O82.32 S64 -","2","0.5","","Cheret, Yohan; Avarvari, Narcis; Zigon, Nicolas","Metal–organic polyhedron from a flexible tetrakis(thiobenzyl-carboxylate)-tetrathiafulvalene","CrystEngComm","2024","26","15","2072","2077","10.1039/D3CE01251D","","x-ray","1.54184","CuKα","","0.1717","0.146","","","0.3817","0.4082","","","","","","1.43","","","","has coordinates,has disorder","291597","2024-05-05","02:19:09",""
"7248227","22.1127","0.0006","23.7586","0.0006","23.85","0.0005","95.728","0.002","94.436","0.002","102.342","0.002","12116.4","0.5","200","0.1","200","0.1","","","","","","","","6","P -1","-P 1","2","","copper(II)8-[mu-tetrakis(μ~2~-4,4',4'',4'''-(([2,2'-bi(1,3-dithiolylidene)]-4,4',5,5'-tetrayltetrakis(sulfanediyl))tetrakis(methylene))tetrabenzoate-O,O')-bis(dimethylacetamide/water), dimethylacetamide solvate","","- C193.92 H194.32 Cu8 N10.48 O44.48 S32 -","- C193.92 H194.32 Cu8 N10.48 O44.48 S32 -","- C387.84 H388.64 Cu16 N20.96 O88.96 S64 -","2","1","","Cheret, Yohan; Avarvari, Narcis; Zigon, Nicolas","Metal–organic polyhedron from a flexible tetrakis(thiobenzyl-carboxylate)-tetrathiafulvalene","CrystEngComm","2024","26","15","2072","2077","10.1039/D3CE01251D","","x-ray","1.54184","CuKα","","0.1269","0.1013","","","0.2782","0.3175","","","","","","1.069","","","","has coordinates,has disorder","291597","2024-05-05","02:19:10",""
"7248228","12.166","0.002","9.4954","0.0019","29.213","0.006","90","","97.081","0.005","90","","3349","1.1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H36 N8 O6 Zn -","- C34 H36 N8 O6 Zn -","- C136 H144 N32 O24 Zn4 -","4","1","","Verma, Satyendra; Brahma, Rinki; Baruah, Jubaraj B.","Consequences of twisting of the flexible arms of imidazole-derived urea in zinc-dicarboxylate coordination polymers","CrystEngComm","2024","26","14","1976","1985","10.1039/D4CE00005F","","","0.71073","MoKα","","0.0314","0.0274","","","0.0648","0.0685","","","","","","1.058","","","","has coordinates","290894","2024-04-04","23:08:38",""
"7248229","10.887","0.002","13.685","0.003","16.805","0.004","90","","99.712","0.006","90","","2467.9","0.9","105","2","105","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H27 N5 O6 Zn -","- C24 H27 N5 O6 Zn -","- C96 H108 N20 O24 Zn4 -","4","1","","Verma, Satyendra; Brahma, Rinki; Baruah, Jubaraj B.","Consequences of twisting of the flexible arms of imidazole-derived urea in zinc-dicarboxylate coordination polymers","CrystEngComm","2024","26","14","1976","1985","10.1039/D4CE00005F","","","0.71073","MoKα","","0.0957","0.0703","","","0.1486","0.1721","","","","","","1.075","","","","has coordinates","290894","2024-04-04","23:08:38",""
"7248230","8.5917","0.0006","9.9828","0.0006","15.1695","0.001","90","","92.225","0.002","90","","1300.1","0.15","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H16 N4 O -","- C13 H16 N4 O -","- C52 H64 N16 O4 -","4","1","","Verma, Satyendra; Brahma, Rinki; Baruah, Jubaraj B.","Consequences of twisting of the flexible arms of imidazole-derived urea in zinc-dicarboxylate coordination polymers","CrystEngComm","2024","26","14","1976","1985","10.1039/D4CE00005F","","","0.71073","MoKα","","0.0784","0.0619","","","0.1158","0.1254","","","","","","1.166","","","","has coordinates","290894","2024-04-04","23:08:38",""
"7248231","16.0036","0.001","9.549","0.0006","27.2906","0.0017","90","","100.52","0.002","90","","4100.4","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H50 N8 O9 Zn -","- C38 H50 N8 O9 Zn -","- C152 H200 N32 O36 Zn4 -","4","1","","Verma, Satyendra; Brahma, Rinki; Baruah, Jubaraj B.","Consequences of twisting of the flexible arms of imidazole-derived urea in zinc-dicarboxylate coordination polymers","CrystEngComm","2024","26","14","1976","1985","10.1039/D4CE00005F","","","0.71073","MoKα","","0.1068","0.0573","","","0.1106","0.138","","","","","","1.08","","","","has coordinates","290894","2024-04-04","23:08:38",""
"7248235","7.0073","0.0008","11.8847","0.0012","15.9967","0.0017","90","","101.95","0.004","90","","1303.3","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H11 Cl2 N4 O2 Tc -","- C9 H11 Cl2 N4 O2 Tc -","- C36 H44 Cl8 N16 O8 Tc4 -","4","1","","Novikov, Anton P.; Volkov, Mikhail A.","The influence of the alkoxy substituent length on the crystal structures of Tc(v) complexes with pyrazine","CrystEngComm","2024","26","12","1747","1755","10.1039/D4CE00029C","","","0.71073","MoKα","","0.0591","0.0363","","","0.0712","0.0784","","","","","","1.029","","","","has coordinates","290904","2024-04-04","23:11:34",""
"7248236","8.0605","0.0006","33.63","0.003","12.0796","0.0009","90","","108.857","0.003","90","","3098.7","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H30 Cl4 N8 O4 Tc2 -","- C22 H30 Cl4 N8 O4 Tc2 -","- C88 H120 Cl16 N32 O16 Tc8 -","4","1","","Novikov, Anton P.; Volkov, Mikhail A.","The influence of the alkoxy substituent length on the crystal structures of Tc(v) complexes with pyrazine","CrystEngComm","2024","26","12","1747","1755","10.1039/D4CE00029C","","","0.71073","MoKα","","0.0787","0.0461","","","0.0833","0.0956","","","","","","1.017","","","","has coordinates","290904","2024-04-04","23:11:34",""
"7248237","9.0399","0.0005","14.145","0.0008","14.986","0.0008","69.993","0.002","84.129","0.002","83.815","0.002","1785.73","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H21 Cl2 N4 O2 Tc -","- C14 H21 Cl2 N4 O2 Tc -","- C56 H84 Cl8 N16 O8 Tc4 -","4","2","","Novikov, Anton P.; Volkov, Mikhail A.","The influence of the alkoxy substituent length on the crystal structures of Tc(v) complexes with pyrazine","CrystEngComm","2024","26","12","1747","1755","10.1039/D4CE00029C","","","0.71073","MoKα","","0.0572","0.0407","","","0.0814","0.0886","","","","","","1.037","","","","has coordinates","290904","2024-04-04","23:11:34",""
"7248238","11.6629","0.0006","9.0674","0.0005","14.0443","0.0007","90","","105.197","0.002","90","","1433.28","0.13","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H13 Cl2 N4 O2 Tc -","- C10 H13 Cl2 N4 O2 Tc -","- C40 H52 Cl8 N16 O8 Tc4 -","4","1","","Novikov, Anton P.; Volkov, Mikhail A.","The influence of the alkoxy substituent length on the crystal structures of Tc(v) complexes with pyrazine","CrystEngComm","2024","26","12","1747","1755","10.1039/D4CE00029C","","","0.71073","MoKα","","0.031","0.0228","","","0.0456","0.0488","","","","","","1.022","","","","has coordinates,has disorder","290904","2024-04-04","23:11:34",""
"7248239","14.089","0.002","9.1069","0.0015","16.009","0.003","90","","113.149","0.006","90","","1888.7","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H23 Cl2 N4 O2 Tc -","- C15 H23 Cl2 N4 O2 Tc -","- C60 H92 Cl8 N16 O8 Tc4 -","4","1","","Novikov, Anton P.; Volkov, Mikhail A.","The influence of the alkoxy substituent length on the crystal structures of Tc(v) complexes with pyrazine","CrystEngComm","2024","26","12","1747","1755","10.1039/D4CE00029C","","","0.71073","MoKα","","0.1658","0.0614","","","0.1111","0.1478","","","","","","0.965","","","","has coordinates","290904","2024-04-04","23:11:34",""
"7248240","6.8651","0.0006","7.6286","0.0007","19.7846","0.0018","86.031","0.003","89.719","0.004","72.288","0.004","984.52","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H25 Cl2 N4 O2 Tc -","- C16 H25 Cl2 N4 O2 Tc -","- C32 H50 Cl4 N8 O4 Tc2 -","2","1","","Novikov, Anton P.; Volkov, Mikhail A.","The influence of the alkoxy substituent length on the crystal structures of Tc(v) complexes with pyrazine","CrystEngComm","2024","26","12","1747","1755","10.1039/D4CE00029C","","","0.71073","MoKα","","0.0748","0.0466","","","0.0799","0.0886","","","","","","0.984","","","","has coordinates","290904","2024-04-04","23:11:34",""
"7248241","6.8766","0.0004","7.6359","0.0005","21.635","0.0013","92.223","0.002","94.493","0.002","107.672","0.002","1076.75","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H29 Cl2 N4 O2 Tc -","- C18 H29 Cl2 N4 O2 Tc -","- C36 H58 Cl4 N8 O4 Tc2 -","2","1","","Novikov, Anton P.; Volkov, Mikhail A.","The influence of the alkoxy substituent length on the crystal structures of Tc(v) complexes with pyrazine","CrystEngComm","2024","26","12","1747","1755","10.1039/D4CE00029C","","","0.71073","MoKα","","0.0496","0.0346","","","0.0608","0.0654","","","","","","1.033","","","","has coordinates","290904","2024-04-04","23:11:34",""
"7248242","14.0797","0.001","8.8218","0.0006","14.5189","0.0009","90","","109.072","0.002","90","","1704.4","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H19 Cl2 N4 O2 Tc -","- C13 H19 Cl2 N4 O2 Tc -","- C52 H76 Cl8 N16 O8 Tc4 -","4","1","","Novikov, Anton P.; Volkov, Mikhail A.","The influence of the alkoxy substituent length on the crystal structures of Tc(v) complexes with pyrazine","CrystEngComm","2024","26","12","1747","1755","10.1039/D4CE00029C","","","0.71073","MoKα","","0.0539","0.0321","","","0.0561","0.0628","","","","","","1.006","","","","has coordinates","290904","2024-04-04","23:11:34",""
"7248243","9.0647","0.0011","12.8136","0.0015","14.4134","0.0017","74.521","0.005","82.598","0.006","83.057","0.005","1593.4","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H34 Cl4 N8 O4 Tc2 -","- C24 H34 Cl4 N8 O4 Tc2 -","- C48 H68 Cl8 N16 O8 Tc4 -","2","1","","Novikov, Anton P.; Volkov, Mikhail A.","The influence of the alkoxy substituent length on the crystal structures of Tc(v) complexes with pyrazine","CrystEngComm","2024","26","12","1747","1755","10.1039/D4CE00029C","","","0.71073","MoKα","","0.1207","0.0633","","","0.1015","0.1238","","","","","","0.949","","","","has coordinates","290904","2024-04-04","23:11:34",""
"7248244","9.612","0.004","10.482","0.004","21.517","0.008","101.141","0.017","99.638","0.016","90.665","0.016","2094.9","1.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H54 Cl4 N8 O4 Tc2 -","- C34 H54 Cl4 N8 O4 Tc2 -","- C68 H108 Cl8 N16 O8 Tc4 -","2","1","","Novikov, Anton P.; Volkov, Mikhail A.","The influence of the alkoxy substituent length on the crystal structures of Tc(v) complexes with pyrazine","CrystEngComm","2024","26","12","1747","1755","10.1039/D4CE00029C","","","0.71073","MoKα","","0.2912","0.0925","","","0.1586","0.2352","","","","","","0.935","","","","has coordinates","290904","2024-04-04","23:11:34",""
"7248245","36.623","0.006","8.325","0.002","10.0606","0.0014","90","","97.746","0.013","90","","3039.4","1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H29 N5 O4 -","- C36 H29 N5 O4 -","- C144 H116 N20 O16 -","4","0.5","","Lai, Xiaoxia; Liu, Xinxin; Yang, Ye; Huang, Jinyan; Song, Shichang; Ren, Shicheng; Liang, Xuexue; Wu, Dongqi; Zhou, Liya; Chen, Peican","In situ generated dimethylamine constructs a robust hydrogen-bonded organic framework for selective fluorescence detection","CrystEngComm","2024","26","13","1876","1883","10.1039/D4CE00004H","","x-ray","0.71073","synchrotron","","0.1314","0.0626","","","0.0969","0.1206","","","","","","0.981","","","","has coordinates","290883","2024-04-04","23:06:06",""
"7248246","36.466","0.007","8.2745","0.0015","10.0269","0.0018","90","","97.792","0.003","90","","2997.6","1","296.15","","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H29 N5 O4 -","- C36 H29 N5 O4 -","- C144 H116 N20 O16 -","4","0.5","","Lai, Xiaoxia; Liu, Xinxin; Yang, Ye; Huang, Jinyan; Song, Shichang; Ren, Shicheng; Liang, Xuexue; Wu, Dongqi; Zhou, Liya; Chen, Peican","In situ generated dimethylamine constructs a robust hydrogen-bonded organic framework for selective fluorescence detection","CrystEngComm","2024","26","13","1876","1883","10.1039/D4CE00004H","","","0.71073","MoKα","","0.0799","0.0469","","","0.1139","0.1312","","","","","","1.03","","","","has coordinates","290883","2024-04-04","23:06:06",""
"7248247","18.3042","0.0002","18.3042","0.0002","18.3042","0.0002","90","","90","","90","","6132.71","0.12","150","2","150","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C63 H78 Cl Cu N6 O7 -","- C63 H78 Cl Cu N6 O7 -","- C252 H312 Cl4 Cu4 N24 O28 -","4","0.333333","","Röβ-Ohlenroth, Richard; Knippen, Katharina; Kraft, Maryana; Volkmer, Dirk","Enantioselective enrichment of chiral 1-phenylethanol in the camphor-based chiral metal–organic framework CFA-22","CrystEngComm","2024","26","15","2051","2055","10.1039/D4CE00181H","","","0.71073","MoKα","","0.081","0.0701","","","0.1848","0.1952","","","","","","1.042","","","","has coordinates","291598","2024-05-05","02:20:09",""
"7248248","11.5467","0.0012","17.9284","0.0018","19.841","0.002","90","","90","","90","","4107.4","0.7","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C39 H48 Cl Cu N6 O4 -","- C39 H48 Cl Cu N6 O4 -","- C156 H192 Cl4 Cu4 N24 O16 -","4","1","","Röβ-Ohlenroth, Richard; Knippen, Katharina; Kraft, Maryana; Volkmer, Dirk","Enantioselective enrichment of chiral 1-phenylethanol in the camphor-based chiral metal–organic framework CFA-22","CrystEngComm","2024","26","15","2051","2055","10.1039/D4CE00181H","","","0.71073","MoKα","","0.1529","0.1241","","","0.3243","0.3559","","","","","","1.055","","","","has coordinates","291598","2024-05-05","02:20:12",""
"7248249","18.0217","0.0003","18.0217","0.0003","18.0217","0.0003","90","","90","","90","","5853.12","0.17","250","2","250","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C48 H72 Cl Cu N6 O7 -","- C48 H72 Cl Cu N6 O7 -","- C192 H288 Cl4 Cu4 N24 O28 -","4","0.333333","","Röβ-Ohlenroth, Richard; Knippen, Katharina; Kraft, Maryana; Volkmer, Dirk","Enantioselective enrichment of chiral 1-phenylethanol in the camphor-based chiral metal–organic framework CFA-22","CrystEngComm","2024","26","15","2051","2055","10.1039/D4CE00181H","","","0.71073","MoKα","","0.0481","0.039","","","0.0949","0.0989","","","","","","1.043","","","","has coordinates","291598","2024-05-05","02:20:12",""
"7248250","18.231","0.0002","18.231","0.0002","18.231","0.0002","90","","90","","90","","6059.43","0.12","150","2","150","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C63 H78 Cl Cu N6 O7 -","- C63 H80.0001 Cl Cu N6 O7 -","- C252 H320 Cl4 Cu4 N24 O28 -","4","0.333333","","Röβ-Ohlenroth, Richard; Knippen, Katharina; Kraft, Maryana; Volkmer, Dirk","Enantioselective enrichment of chiral 1-phenylethanol in the camphor-based chiral metal–organic framework CFA-22","CrystEngComm","2024","26","15","2051","2055","10.1039/D4CE00181H","","","0.71073","MoKα","","0.0776","0.0723","","","0.1995","0.2056","","","","","","1.086","","","","has coordinates,has disorder","291598","2024-05-05","02:20:12",""
"7248251","18.0116","0.0002","18.0116","0.0002","18.0116","0.0002","90","","90","","90","","5843.28","0.11","150","2","150","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C51 H78 Cl Cu N6 O7 -","- C51 H78 Cl Cu N6 O7 -","- C204 H312 Cl4 Cu4 N24 O28 -","4","0.333333","","Röβ-Ohlenroth, Richard; Knippen, Katharina; Kraft, Maryana; Volkmer, Dirk","Enantioselective enrichment of chiral 1-phenylethanol in the camphor-based chiral metal–organic framework CFA-22","CrystEngComm","2024","26","15","2051","2055","10.1039/D4CE00181H","","","0.71073","MoKα","","0.0753","0.0727","","","0.2028","0.2069","","","","","","1.048","","","","has coordinates","291598","2024-05-05","02:20:12",""
"7248252","17.9422","0.0004","17.9422","0.0004","17.9422","0.0004","90","","90","","90","","5776","0.2","150","2","150","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C48 H72 Cl Cu N6 O7 -","- C48 H72 Cl Cu N6 O7 -","- C192 H288 Cl4 Cu4 N24 O28 -","4","0.333333","","Röβ-Ohlenroth, Richard; Knippen, Katharina; Kraft, Maryana; Volkmer, Dirk","Enantioselective enrichment of chiral 1-phenylethanol in the camphor-based chiral metal–organic framework CFA-22","CrystEngComm","2024","26","15","2051","2055","10.1039/D4CE00181H","","","0.71073","MoKα","","0.0385","0.0339","","","0.0874","0.0903","","","","","","1.058","","","","has coordinates","291598","2024-05-05","02:20:12",""
"7248253","18.2489","0.0002","18.2489","0.0002","18.2489","0.0002","90","","90","","90","","6077.29","0.12","150","2","150","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C63 H78 Cl Cu N6 O7 -","- C63 H78 Cl Cu N6 O7 -","- C252 H312 Cl4 Cu4 N24 O28 -","4","0.333333","","Röβ-Ohlenroth, Richard; Knippen, Katharina; Kraft, Maryana; Volkmer, Dirk","Enantioselective enrichment of chiral 1-phenylethanol in the camphor-based chiral metal–organic framework CFA-22","CrystEngComm","2024","26","15","2051","2055","10.1039/D4CE00181H","","","0.71073","MoKα","","0.0805","0.0775","","","0.2099","0.2135","","","","","","1.075","","","","has coordinates,has disorder","291598","2024-05-05","02:20:12",""
"7248254","18.0076","0.0003","18.0076","0.0003","18.0076","0.0003","90","","90","","90","","5839.39","0.17","150","2","150","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C51 H78 Cl Cu N6 O7 -","- C51 H78 Cl Cu N6 O7 -","- C204 H312 Cl4 Cu4 N24 O28 -","4","0.333333","","Röβ-Ohlenroth, Richard; Knippen, Katharina; Kraft, Maryana; Volkmer, Dirk","Enantioselective enrichment of chiral 1-phenylethanol in the camphor-based chiral metal–organic framework CFA-22","CrystEngComm","2024","26","15","2051","2055","10.1039/D4CE00181H","","","0.71073","MoKα","","0.0717","0.0698","","","0.1912","0.194","","","","","","1.051","","","","has coordinates","291598","2024-05-05","02:20:12",""
"7248255","18.2443","0.0003","18.2443","0.0003","18.2443","0.0003","90","","90","","90","","6072.7","0.17","150","2","150","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C63 H78 Cl Cu N6 O7 -","- C63 H78 Cl Cu N6 O7 -","- C252 H312 Cl4 Cu4 N24 O28 -","4","0.333333","","Röβ-Ohlenroth, Richard; Knippen, Katharina; Kraft, Maryana; Volkmer, Dirk","Enantioselective enrichment of chiral 1-phenylethanol in the camphor-based chiral metal–organic framework CFA-22","CrystEngComm","2024","26","15","2051","2055","10.1039/D4CE00181H","","","0.71073","MoKα","","0.0786","0.076","","","0.2049","0.2082","","","","","","1.069","","","","has coordinates,has disorder","291598","2024-05-05","02:20:12",""
"7248256","14.2868","0.0002","14.2868","0.0002","24.4236","0.0008","90","","90","","90","","4985.17","0.19","150","2","150","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C42 H54 Mo2.7 N6 Re3.3 S8 -","- C42 H54 Mo2.7 N6 Re3.3 S8 -","- C168 H216 Mo10.8 N24 Re13.2 S32 -","4","0.25","","Lappi, Tatiana I.; Gaifulin, Yakov M.; Sukhikh, Taisiya S.; Gaifulina, Viktoria K.; Yanshole, Vadim V.; Cordier, Stephane; Naumov, Nikolay G.","Molecular heterometallic clusters [Re6−xMoxS8L6] (x = 2–3, L = py, etpy, tbp): negligible influence of the x value on the crystal structures","CrystEngComm","2024","26","12","1720","1729","10.1039/D3CE01229H","","","0.71073","MoKα","","0.0301","0.0189","","","0.0363","0.039","","","","","","1.06","","","","has coordinates,has disorder","290908","2024-04-04","23:12:33",""
"7248257","9.3333","0.0002","10.552","0.0002","11.8701","0.0002","114.453","0.001","91.101","0.001","108.996","0.001","989.99","0.04","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H30 Mo2 N6 Re4 S8 -","- C30 H30 Mo2 N6 Re4 S8 -","- C30 H30 Mo2 N6 Re4 S8 -","1","0.5","","Lappi, Tatiana I.; Gaifulin, Yakov M.; Sukhikh, Taisiya S.; Gaifulina, Viktoria K.; Yanshole, Vadim V.; Cordier, Stephane; Naumov, Nikolay G.","Molecular heterometallic clusters [Re6−xMoxS8L6] (x = 2–3, L = py, etpy, tbp): negligible influence of the x value on the crystal structures","CrystEngComm","2024","26","12","1720","1729","10.1039/D3CE01229H","","","0.71073","MoKα","","0.0324","0.0274","","","0.0493","0.0515","","","","","","1.023","","","","has coordinates","290908","2024-04-04","23:12:33",""
"7248258","9.3362","0.0008","10.5758","0.0008","11.8771","0.0009","114.524","0.002","91.007","0.003","109.1","0.003","992.01","0.14","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H30 Mo3 N6 Re3 S8 -","- C30 H30 Mo2.9998 N6 Re3.0002 S8 -","- C30 H30 Mo2.9998 N6 Re3.0002 S8 -","1","0.5","","Lappi, Tatiana I.; Gaifulin, Yakov M.; Sukhikh, Taisiya S.; Gaifulina, Viktoria K.; Yanshole, Vadim V.; Cordier, Stephane; Naumov, Nikolay G.","Molecular heterometallic clusters [Re6−xMoxS8L6] (x = 2–3, L = py, etpy, tbp): negligible influence of the x value on the crystal structures","CrystEngComm","2024","26","12","1720","1729","10.1039/D3CE01229H","","","0.71073","MoKα","","0.0239","0.0217","","","0.0479","0.0488","","","","","","1.059","","","","has coordinates","290908","2024-04-04","23:12:33",""
"7248259","9.3458","0.0004","10.5903","0.0004","11.8441","0.0005","114.432","0.001","90.749","0.001","109.192","0.001","992.72","0.07","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H30 Mo2.65 N6 Re3.35 S8 -","- C30 H30 Mo2.654 N6 Re3.346 S8 -","- C30 H30 Mo2.654 N6 Re3.346 S8 -","1","0.5","","Lappi, Tatiana I.; Gaifulin, Yakov M.; Sukhikh, Taisiya S.; Gaifulina, Viktoria K.; Yanshole, Vadim V.; Cordier, Stephane; Naumov, Nikolay G.","Molecular heterometallic clusters [Re6−xMoxS8L6] (x = 2–3, L = py, etpy, tbp): negligible influence of the x value on the crystal structures","CrystEngComm","2024","26","12","1720","1729","10.1039/D3CE01229H","","","0.71073","MoKα","","0.024","0.0195","","","0.0402","0.0418","","","","","","1.044","","","","has coordinates,has disorder","290908","2024-04-04","23:12:33",""
"7248260","14.2677","0.0011","14.2677","0.0011","24.473","0.004","90","","90","","90","","4981.9","1","150","2","150","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C42 H54 Mo3 N6 Re3 S8 -","- C42 H54 Mo2.9998 N6 Re3.0002 S8 -","- C168 H216 Mo11.9992 N24 Re12.0008 S32 -","4","0.25","","Lappi, Tatiana I.; Gaifulin, Yakov M.; Sukhikh, Taisiya S.; Gaifulina, Viktoria K.; Yanshole, Vadim V.; Cordier, Stephane; Naumov, Nikolay G.","Molecular heterometallic clusters [Re6−xMoxS8L6] (x = 2–3, L = py, etpy, tbp): negligible influence of the x value on the crystal structures","CrystEngComm","2024","26","12","1720","1729","10.1039/D3CE01229H","","","0.71073","MoKα","","0.0417","0.0245","","","0.0456","0.0516","","","","","","1.033","","","","has coordinates,has disorder","290908","2024-04-04","23:12:33",""
"7248261","26.7541","0.0006","26.7541","0.0006","9.3946","0.0003","90","","90","","90","","6724.5","0.3","296","2","296","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C54 H78 Mo2.7 N6 Re3.3 S8 -","- C54 H78 Mo2.7 N6 Re3.3 S8 -","- C216 H312 Mo10.8 N24 Re13.2 S32 -","4","0.5","","Lappi, Tatiana I.; Gaifulin, Yakov M.; Sukhikh, Taisiya S.; Gaifulina, Viktoria K.; Yanshole, Vadim V.; Cordier, Stephane; Naumov, Nikolay G.","Molecular heterometallic clusters [Re6−xMoxS8L6] (x = 2–3, L = py, etpy, tbp): negligible influence of the x value on the crystal structures","CrystEngComm","2024","26","12","1720","1729","10.1039/D3CE01229H","","","0.71073","MoKα","","0.0473","0.0369","","","0.066","0.0691","","","","","","1.161","","","","has coordinates,has disorder","290908","2024-04-04","23:12:33",""
"7248262","14.3459","0.0011","15.5318","0.0013","18.3357","0.0014","105.271","0.003","103.906","0.003","100.383","0.003","3694.1","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C59.17 H85.75 Mo3 N8.59 Re3 S8 -","- C59.168 H85.752 Mo3 N8.584 Re3 S8 -","- C118.336 H171.504 Mo6 N17.168 Re6 S16 -","2","1","","Lappi, Tatiana I.; Gaifulin, Yakov M.; Sukhikh, Taisiya S.; Gaifulina, Viktoria K.; Yanshole, Vadim V.; Cordier, Stephane; Naumov, Nikolay G.","Molecular heterometallic clusters [Re6−xMoxS8L6] (x = 2–3, L = py, etpy, tbp): negligible influence of the x value on the crystal structures","CrystEngComm","2024","26","12","1720","1729","10.1039/D3CE01229H","","","0.71073","MoKα","","0.065","0.0408","","","0.0825","0.0939","","","","","","1.045","","","","has coordinates,has disorder","290908","2024-04-04","23:12:33",""
"7248263","14.3716","0.0004","15.5898","0.0004","18.3061","0.0005","105.324","0.001","104.101","0.001","100.184","0.001","3706.74","0.18","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C59.19 H85.79 Mo2 N8.6 Re4 S8 -","- C59.188 H85.782 Mo2 N8.594 Re4 S8 -","- C118.376 H171.564 Mo4 N17.188 Re8 S16 -","2","1","","Lappi, Tatiana I.; Gaifulin, Yakov M.; Sukhikh, Taisiya S.; Gaifulina, Viktoria K.; Yanshole, Vadim V.; Cordier, Stephane; Naumov, Nikolay G.","Molecular heterometallic clusters [Re6−xMoxS8L6] (x = 2–3, L = py, etpy, tbp): negligible influence of the x value on the crystal structures","CrystEngComm","2024","26","12","1720","1729","10.1039/D3CE01229H","","","0.71073","MoKα","","0.0339","0.0272","","","0.058","0.0605","","","","","","1.027","","","","has coordinates,has disorder","290908","2024-04-04","23:12:33",""
"7248264","14.2615","0.0004","14.2615","0.0004","24.4091","0.001","90","","90","","90","","4964.6","0.3","150","2","150","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C42 H54 Mo2 N6 Re4 S8 -","- C42 H54 Mo2 N6 Re4 S8 -","- C168 H216 Mo8 N24 Re16 S32 -","4","0.25","","Lappi, Tatiana I.; Gaifulin, Yakov M.; Sukhikh, Taisiya S.; Gaifulina, Viktoria K.; Yanshole, Vadim V.; Cordier, Stephane; Naumov, Nikolay G.","Molecular heterometallic clusters [Re6−xMoxS8L6] (x = 2–3, L = py, etpy, tbp): negligible influence of the x value on the crystal structures","CrystEngComm","2024","26","12","1720","1729","10.1039/D3CE01229H","","","0.71073","MoKα","","0.0414","0.0218","","","0.04","0.0445","","","","","","1.055","","","","has coordinates,has disorder","290908","2024-04-04","23:12:33",""
"7248265","33.21","0.05","10.16","0.013","16.17","0.02","90","","112.22","0.03","90","","5051","12","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C46 H68 N8 O8 -","- C46 H68 N8 O8 -","- C184 H272 N32 O32 -","4","1","","Nalawade, Sachin A.; Kumar, Mothukuri Ganesh; Puneeth Kumar, DRGKoppalu R.; Singh, Manjeet; Dey, Sanjit; Gopi, Hosahudya N.","Crystal structure analysis of helix–turn–helix type motifs in α,γ-hybrid peptides","CrystEngComm","2024","26","7","913","917","10.1039/D3CE01236K","","","0.71073","MoKα","","0.2183","0.1038","","","0.2341","0.3234","","","","","","0.926","","","","has coordinates","290049","2024-03-04","03:30:22",""
"7248266","14.637","0.008","19.378","0.009","16.197","0.007","90","","104.947","0.016","90","","4439","4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C65 H120 N12 O13 -","- C65 H120 N12 O13 -","- C130 H240 N24 O26 -","2","1","","Nalawade, Sachin A.; Kumar, Mothukuri Ganesh; Puneeth Kumar, DRGKoppalu R.; Singh, Manjeet; Dey, Sanjit; Gopi, Hosahudya N.","Crystal structure analysis of helix–turn–helix type motifs in α,γ-hybrid peptides","CrystEngComm","2024","26","7","913","917","10.1039/D3CE01236K","","","0.71073","MoKα","","0.0876","0.0531","","","0.1158","0.1277","","","","","","1.014","","","","has coordinates","290049","2024-03-04","03:30:23",""
"7248267","17.73","0.1","10.52","0.06","28.85","0.16","90","","99.42","0.08","90","","5309","5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C45 H72 N8 O8 -","- C45 H72 N8 O8 -","- C180 H288 N32 O32 -","4","2","","Nalawade, Sachin A.; Kumar, Mothukuri Ganesh; Puneeth Kumar, DRGKoppalu R.; Singh, Manjeet; Dey, Sanjit; Gopi, Hosahudya N.","Crystal structure analysis of helix–turn–helix type motifs in α,γ-hybrid peptides","CrystEngComm","2024","26","7","913","917","10.1039/D3CE01236K","","","0.71073","MoKα","","0.2139","0.107","","","0.2415","0.2902","","","","","","1.026","","","","has coordinates","290049","2024-03-04","03:30:23",""
"7248268","6.9783","0.0011","7.2131","0.0011","16.191","0.003","89.097","0.002","87.703","0.002","67.944","0.002","754.7","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H11 N O4 -","- C17 H11 N O4 -","- C34 H22 N2 O8 -","2","1","","Zhao, Bo; Lu, Jiangfeng; Liu, Hao; Li, Senlin; Sun, Qiaozhen; Zhang, Bingguang","Design and synthesis of a turn-off fluorescent sensor based on a multifunctional Zn(ii) coordination polymer for the detection of Fe3+, Hg2+ and 4-nitrophenol","CrystEngComm","2024","26","9","1319","1327","10.1039/D3CE01174G","","","0.71073","MoKα","","0.0896","0.0572","","","0.188","0.2046","","","","","","1.057","","","","has coordinates","290050","2024-03-04","03:31:28",""
"7248269","23.861","0.002","12.381","0.0011","17.8166","0.0017","90","","112.927","0.002","90","","4847.6","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H20 N4 O4 Zn -","- C27 H20 N4 O4 Zn -","- C216 H160 N32 O32 Zn8 -","8","1","","Zhao, Bo; Lu, Jiangfeng; Liu, Hao; Li, Senlin; Sun, Qiaozhen; Zhang, Bingguang","Design and synthesis of a turn-off fluorescent sensor based on a multifunctional Zn(ii) coordination polymer for the detection of Fe3+, Hg2+ and 4-nitrophenol","CrystEngComm","2024","26","9","1319","1327","10.1039/D3CE01174G","","","0.71073","MoKα","","0.1412","0.0541","","","0.1091","0.1371","","","","","","0.998","","","","has coordinates,has disorder","290050","2024-03-04","03:31:29",""
"7248270","8.8359","0.0015","9.5857","0.0018","10.325","0.002","90.933","0.007","92.085","0.007","107.286","0.006","834.1","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H15 Cl2 N5 O2 Pb -","- C13 H15 Cl2 N5 O2 Pb -","- C26 H30 Cl4 N10 O4 Pb2 -","2","1","","Garcia-Santos, Isabel; Iglesias-Pereiro, Tamara; Labisbal, Elena; Castiñeiras, Alfonso; Eftekhari-Sis, Bagher; Mahmoudi, Ghodrat; Sagan, Filip; Mitoraj, Mariusz P.; Safin, Damir A.","An extended supramolecular coordination compound produced from PbCl2 and N′-isonicotinoylpicolinohydrazonamide","CrystEngComm","2024","26","9","1252","1260","10.1039/D3CE01066J","","","0.71073","MoKα","","0.0155","0.0134","","","0.027","0.0275","","","","","","1.052","","","","has coordinates","290051","2024-03-04","03:31:48",""
"7248272","12.4249","0.0018","11.7971","0.0018","24.951","0.004","90","","95.752","0.003","90","","3638.8","1","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","none","trans-alpha, alpha, alpha',alpha'-tetraphenyl-9,10-dihydro-9,10-ethano-anthracene-11,12-dimethanol 1,2-dichlorobenzene clathrate","","- C48 H38 Cl2 O2 -","- C48 H38 Cl2 O2 -","- C192 H152 Cl8 O8 -","4","1","","Barton, Benita; Caira, Mino R.; Senekal, Ulrich; Hosten, Eric C.","Host compounds based on the rigid 9,10-dihydro-9,10-ethanoanthracene framework: selectivity behaviour in mixed isomeric dichlorobenzenes","CrystEngComm","2024","26","13","1862","1875","10.1039/D4CE00113C","","","0.71073","MoKα","","0.0799","0.0577","","","0.151","0.1722","","","","","","1.02","","","","has coordinates","290884","2024-04-04","23:06:19",""
"7248273","23.236","0.001","15.6145","0.0008","24.0913","0.001","90","","115.807","0.003","90","","7869","0.7","200","2","200","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","trans- α,α,α',α'-tetraphenyl-9,10-dihydro-9,10-ethanoanthracene-11,12-dimethanol","","","- C48 H34 Cl6 O2 -","- C48 H34 Cl6 O2 -","- C384 H272 Cl48 O16 -","8","1","","Barton, Benita; Caira, Mino R.; Senekal, Ulrich; Hosten, Eric C.","Host compounds based on the rigid 9,10-dihydro-9,10-ethanoanthracene framework: selectivity behaviour in mixed isomeric dichlorobenzenes","CrystEngComm","2024","26","13","1862","1875","10.1039/D4CE00113C","","","0.71073","MoKα","","0.0616","0.045","","","0.1082","0.1205","","","","","","1.048","","","","has coordinates","290884","2024-04-04","23:06:20",""
"7248274","23.2834","0.0009","23.2834","0.0009","12.4263","0.0006","90","","90","","90","","6736.5","0.5","296","2","296","2","","","","","","","","4","I -4","I -4","82","trans-α,α,α',α'-tetra(p-chlorophenyl)-9,10-dihydro-9,10-ethanoanthracene-11,12-dimethanol","","","- C44 H35.33 Cl0.67 O2 -","- C43.9998 H35.3332 Cl0.6666 O2 -","- C351.998 H282.666 Cl5.3328 O16 -","8","1","","Barton, Benita; Caira, Mino R.; Senekal, Ulrich; Hosten, Eric C.","Host compounds based on the rigid 9,10-dihydro-9,10-ethanoanthracene framework: selectivity behaviour in mixed isomeric dichlorobenzenes","CrystEngComm","2024","26","13","1862","1875","10.1039/D4CE00113C","","","0.71073","MoKα","","0.0804","0.0566","","","0.1569","0.1771","","","","","","1.038","","","","has coordinates,has disorder","290884","2024-04-04","23:06:20",""
"7248275","9.4279","0.0002","9.4279","0.0002","25.1636","0.0007","90","","90","","90","","2236.67","0.09","150","","150","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C12 H16 Cl6 I2 N2 Te -","- C12 H16 Cl6 I2 N2 Te -","- C48 H64 Cl24 I8 N8 Te4 -","4","0.5","","Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Adonin, Sergey A.","Polymeric polyiodo-chlorotellurates(iv): new supramolecular hybrids in halometalate chemistry","CrystEngComm","2024","26","14","2018","2024","10.1039/D4CE00088A","","","0.71073","MoKα","","0.0274","0.0226","","","0.0378","0.039","","","","","","1.048","","","","has coordinates","290892","2024-04-04","23:08:05",""
"7248276","13.6493","0.0011","10.0133","0.0006","18.0921","0.0014","90","","111.399","0.004","90","","2302.3","0.3","150","2","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H16 Cl6 I2 N2 Te -","- C12 H16 Cl6 I2 N2 Te -","- C48 H64 Cl24 I8 N8 Te4 -","4","0.5","","Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Adonin, Sergey A.","Polymeric polyiodo-chlorotellurates(iv): new supramolecular hybrids in halometalate chemistry","CrystEngComm","2024","26","14","2018","2024","10.1039/D4CE00088A","","","0.71073","MoKα","","0.0418","0.0303","","","0.0546","0.0578","","","","","","1.029","","","","has coordinates,has disorder","290892","2024-04-04","23:08:05",""
"7248277","12.6722","0.0002","9.9937","0.0002","17.2207","0.0003","90","","102.588","0.001","90","","2128.44","0.07","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H20 Cl6 I2 N2 Te -","- C5.9997 H19.999 Cl6 I2 N1.9999 Te -","- C23.9988 H79.996 Cl24 I8 N7.9996 Te4 -","4","1","","Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Adonin, Sergey A.","Polymeric polyiodo-chlorotellurates(iv): new supramolecular hybrids in halometalate chemistry","CrystEngComm","2024","26","14","2018","2024","10.1039/D4CE00088A","","","0.71073","MoKα","","0.0398","0.028","","","0.0549","0.0586","","","","","","1.038","","","","has coordinates,has disorder","290892","2024-04-04","23:08:05",""
"7248278","17.8598","0.0011","7.4112","0.0005","17.6492","0.0011","90","","100.334","0.002","90","","2298.2","0.3","150","2","150","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C12 H16 Cl6 I2 N2 Te -","- C12 H16 Cl6 I2 N2 Te -","- C48 H64 Cl24 I8 N8 Te4 -","4","1","","Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Adonin, Sergey A.","Polymeric polyiodo-chlorotellurates(iv): new supramolecular hybrids in halometalate chemistry","CrystEngComm","2024","26","14","2018","2024","10.1039/D4CE00088A","","x-ray","0.71073","MoKα","","0.0526","0.0313","","","0.0498","0.055","","","","","","1.04","","","","has coordinates","290892","2024-04-04","23:08:05",""
"7248279","16.9466","0.0009","9.6814","0.0005","13.3524","0.0007","90","","108.691","0.002","90","","2075.15","0.19","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H12 Cl6 I2 N2 Te -","- C10 H12 Cl6 I2 N2 Te -","- C40 H48 Cl24 I8 N8 Te4 -","4","0.5","","Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Adonin, Sergey A.","Polymeric polyiodo-chlorotellurates(iv): new supramolecular hybrids in halometalate chemistry","CrystEngComm","2024","26","14","2018","2024","10.1039/D4CE00088A","","","0.71073","MoKα","","0.0376","0.0249","","","0.0431","0.0454","","","","","","1.044","","","","has coordinates,has disorder","290892","2024-04-04","23:08:05",""
"7248281","20.9615","0.0011","20.9615","0.0011","7.8858","0.0005","90","","90","","120","","3000.7","0.3","296","2","296","2","","","","","","","","3","R -3 :H","-R 3","148","ETHYL MALTOL","","","- C7 H8 O3 -","- C7 H8 O3 -","- C126 H144 O54 -","18","1","","Thirumalaisamy, Anitha; Karuppannan, Srinivasan","Nucleation control and separation of ethyl maltol polymorphs under different growth conditions through solution crystallization process in selected solvent environments","CrystEngComm","2024","26","13","1902","1911","10.1039/D3CE01154B","","","0.71073","MoKα","","0.0349","0.0328","","","0.0893","0.0911","","","","","","1.062","","","","has coordinates","290885","2024-04-04","23:06:40",""
"7248282","4.8597","0.0007","6.8797","0.001","20.17","0.003","90","","95.2","0.004","90","","671.57","0.17","296","2","296","2","","","","","","","solution crystallization method","3","P 1 21/n 1","-P 2yn","14","ETHYL MALTOL","2ETHYL 3HYDROXY4PYRANONE","","- C7 H8 O3 -","- C7 H8 O3 -","- C28 H32 O12 -","4","1","","Thirumalaisamy, Anitha; Karuppannan, Srinivasan","Nucleation control and separation of ethyl maltol polymorphs under different growth conditions through solution crystallization process in selected solvent environments","CrystEngComm","2024","26","13","1902","1911","10.1039/D3CE01154B","","","0.71073","MoKα","","0.1785","0.0746","","","0.1173","0.1414","","","","","","1.067","","","","has coordinates","290885","2024-04-04","23:06:41",""
"7248283","7.1414","0.0008","7.6229","0.0008","7.6784","0.0008","62.162","0.003","68.379","0.003","76.408","0.003","342.61","0.06","296","2","296","2","","","","","","","","3","P -1","-P 1","2","ETHYL MALTOL","2-ETHYL-3-HYDROXY-4-PYRANONE","","- C7 H8 O3 -","- C7 H8 O3 -","- C14 H16 O6 -","2","1","","Thirumalaisamy, Anitha; Karuppannan, Srinivasan","Nucleation control and separation of ethyl maltol polymorphs under different growth conditions through solution crystallization process in selected solvent environments","CrystEngComm","2024","26","13","1902","1911","10.1039/D3CE01154B","","","0.71073","MoKα","","0.0647","0.0468","","","0.1161","0.1248","","","","","","1.09","","","","has coordinates","290885","2024-04-04","23:06:41",""
"7248288","28.3208","0.0013","39.2416","0.0017","16.2646","0.0006","90","","90","","90","","18075.7","1.3","295","2","295","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C288 H248 Dy16 O160 -","- C288 H248 Dy16 O160 -","- C576 H496 Dy32 O320 -","2","0.125","","Liao, Ya-Qing; Xiong, Tian-Zheng; Xie, Kang-Le; Zhang, Huan; Hu, Jun-Jie; Wen, He-Rui","Two multifunctional Dy(iii)-based metal–organic frameworks exhibiting proton conduction, magnetic properties and second-harmonic generation","CrystEngComm","2024","26","14","2033","2042","10.1039/D4CE00065J","","","0.71073","MoKα","","0.0288","0.0259","","","0.0665","0.0684","","","","","","1.058","","","","has coordinates,has disorder","290890","2024-04-04","23:07:44",""
"7248289","10.0739","0.0005","10.1946","0.0005","12.6937","0.0006","76.507","0.001","86.196","0.002","71.856","0.001","1204.59","0.1","297","","297","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H21 Eu O13 -","- C24 H21 Eu O13 -","- C48 H42 Eu2 O26 -","2","1","","Liao, Ya-Qing; Xiong, Tian-Zheng; Xie, Kang-Le; Zhang, Huan; Hu, Jun-Jie; Wen, He-Rui","Two multifunctional Dy(iii)-based metal–organic frameworks exhibiting proton conduction, magnetic properties and second-harmonic generation","CrystEngComm","2024","26","14","2033","2042","10.1039/D4CE00065J","","","0.71073","MoKα","","0.0653","0.0409","","","0.0596","0.0656","","","","","","1.073","","","","has coordinates","290890","2024-04-04","23:07:44",""
"7248291","7.455","0.003","7.934","0.003","8.27","0.003","85.443","0.012","76.787","0.011","74.123","0.011","458","0.3","170","","170","","","","","","","","","4","P -1","-P 1","2","","1,2,4,5-Tetracyanobenzene-2-Bromofluorene","","- C23 H11 Br N4 -","- C23 H11 Br N4 -","- C23 H11 Br N4 -","1","0.5","","Yao, Wenxiu; Wu, Pengfei; Xie, Yidan; Shen, Xinyu; Xia, Shuwei; Yu, Liangmin","Synthesis and photophysical properties of charge transfer cocrystals based on TCNB and fluorene and its derivatives","CrystEngComm","2024","26","16","2155","2165","10.1039/D3CE01208E","","","0.71073","MoKα","","0.1273","0.0927","","","0.1887","0.2044","","","","","","1.093","","","","has coordinates,has disorder","291596","2024-05-05","02:17:28",""
"7248292","7.1852","0.0005","7.8039","0.0006","7.9484","0.0006","73.766","0.003","83.955","0.002","88.769","0.003","425.52","0.05","170","","170","","","","","","","","","3","P -1","-P 1","2","","1,2,4,5-Tetracyanobenzene-Fluorene","","- C23 H12 N4 -","- C23 H12 N4 -","- C23 H12 N4 -","1","0.5","","Yao, Wenxiu; Wu, Pengfei; Xie, Yidan; Shen, Xinyu; Xia, Shuwei; Yu, Liangmin","Synthesis and photophysical properties of charge transfer cocrystals based on TCNB and fluorene and its derivatives","CrystEngComm","2024","26","16","2155","2165","10.1039/D3CE01208E","","","0.71073","MoKα","","0.068","0.0471","","","0.1153","0.1325","","","","","","1.058","","","","has coordinates,has disorder","291596","2024-05-05","02:17:34",""
"7248293","8.0699","0.0019","9.282","0.002","12.323","0.003","79.161","0.008","78.504","0.009","84.709","0.008","887","0.4","160","","160","","","","","","","","","4","P -1","-P 1","2","","1,2,4,5-Tetracyanobenzene-2-Bromocarbazole","","- C22 H10 Br N5 -","- C22 H10 Br N5 -","- C44 H20 Br2 N10 -","2","1","","Yao, Wenxiu; Wu, Pengfei; Xie, Yidan; Shen, Xinyu; Xia, Shuwei; Yu, Liangmin","Synthesis and photophysical properties of charge transfer cocrystals based on TCNB and fluorene and its derivatives","CrystEngComm","2024","26","16","2155","2165","10.1039/D3CE01208E","","","0.71073","MoKα","","0.0634","0.0444","","","0.0933","0.1025","","","","","","1.034","","","","has coordinates","291596","2024-05-05","02:17:34",""
"7248294","7.03","0.0005","7.8302","0.0006","7.8567","0.0007","73.722","0.003","88.51","0.003","84.102","0.003","412.95","0.06","100","","100","","","","","","","","","3","P -1","-P 1","2","","1,2,4,5-Tetracyanobenzene-Carbazole","","- C22 H11 N5 -","- C22 H11 N5 -","- C22 H11 N5 -","1","0.5","","Yao, Wenxiu; Wu, Pengfei; Xie, Yidan; Shen, Xinyu; Xia, Shuwei; Yu, Liangmin","Synthesis and photophysical properties of charge transfer cocrystals based on TCNB and fluorene and its derivatives","CrystEngComm","2024","26","16","2155","2165","10.1039/D3CE01208E","","","0.71073","MoKα","","0.0905","0.0646","","","0.1525","0.1677","","","","","","1.123","","","","has coordinates,has disorder","291596","2024-05-05","02:17:34",""
"7248298","9.1124","0.0003","11.7634","0.0004","25.2509","0.0009","90","","92.117","0.003","90","","2704.87","0.16","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H29 Cl F N4 O6 -","- C29 H29 Cl F N4 O6 -","- C116 H116 Cl4 F4 N16 O24 -","4","1","","Zou, Yao; Meng, Xin; Zhang, Baoxi; Yu, Hongmei; He, Guorong; Gong, Ningbo; Lu, Yang; Du, Guanhua","Gefitinib salts/cocrystals with phenolic acids as a promising solid-state approach to improve solubility","CrystEngComm","2024","26","15","2112","2122","10.1039/D4CE00039K","","","1.54184","CuKα","","0.0453","0.044","","","0.1231","0.1254","","","","","","1.059","","","","has coordinates","291600","2024-05-05","02:21:39",""
"7248299","7.73274","0.00005","12.20698","0.0001","14.35665","0.00012","65.3898","0.0008","84.3011","0.0006","89.307","0.0006","1225.34","0.018","100","0.1","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C25.5 H27 Cl F N4 O4.5 -","- C25.5 H27 Cl F N4 O4.5 -","- C51 H54 Cl2 F2 N8 O9 -","2","1","","Zou, Yao; Meng, Xin; Zhang, Baoxi; Yu, Hongmei; He, Guorong; Gong, Ningbo; Lu, Yang; Du, Guanhua","Gefitinib salts/cocrystals with phenolic acids as a promising solid-state approach to improve solubility","CrystEngComm","2024","26","15","2112","2122","10.1039/D4CE00039K","","","1.54184","CuKα","","0.0389","0.0386","","","0.09","0.0901","","","","","","1.022","","","","has coordinates,has disorder","291600","2024-05-05","02:21:44",""
"7248300","10.83646","0.00005","26.10472","0.0001","10.91005","0.00005","90","","99.937","0.0004","90","","3039.97","0.02","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H34 Cl F N4 O7 -","- C32 H34 Cl F N4 O7 -","- C128 H136 Cl4 F4 N16 O28 -","4","1","","Zou, Yao; Meng, Xin; Zhang, Baoxi; Yu, Hongmei; He, Guorong; Gong, Ningbo; Lu, Yang; Du, Guanhua","Gefitinib salts/cocrystals with phenolic acids as a promising solid-state approach to improve solubility","CrystEngComm","2024","26","15","2112","2122","10.1039/D4CE00039K","","","1.54184","CuKα","","0.0377","0.0363","","","0.101","0.1023","","","","","","1.039","","","","has coordinates","291600","2024-05-05","02:21:44",""
"7248301","7.3807","0.0001","22.4116","0.0002","23.002","0.0001","90","","95.195","0.001","90","","3789.21","0.06","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H32 Cl F N8 O15 -","- C36 H32 Cl F N8 O15 -","- C144 H128 Cl4 F4 N32 O60 -","4","1","","Zou, Yao; Meng, Xin; Zhang, Baoxi; Yu, Hongmei; He, Guorong; Gong, Ningbo; Lu, Yang; Du, Guanhua","Gefitinib salts/cocrystals with phenolic acids as a promising solid-state approach to improve solubility","CrystEngComm","2024","26","15","2112","2122","10.1039/D4CE00039K","","","1.54184","CuKα","","0.0471","0.0415","","","0.1093","0.116","","","","","","1.05","","","","has coordinates","291600","2024-05-05","02:21:44",""
"7248302","14.4516","0.0001","18.0004","0.0001","26.7026","0.0002","90","","90","","90","","6946.27","0.08","301.92","0.14","301.92","0.14","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C72 H72 Cl2 F2 N8 O18 -","- C72 H72 Cl2 F2 N8 O18 -","- C288 H288 Cl8 F8 N32 O72 -","4","1","","Zou, Yao; Meng, Xin; Zhang, Baoxi; Yu, Hongmei; He, Guorong; Gong, Ningbo; Lu, Yang; Du, Guanhua","Gefitinib salts/cocrystals with phenolic acids as a promising solid-state approach to improve solubility","CrystEngComm","2024","26","15","2112","2122","10.1039/D4CE00039K","","x-ray","1.54184","CuKα","","0.0566","0.0518","","","0.1452","0.1499","","","","","","1.016","","","","has coordinates,has disorder","291600","2024-05-05","02:21:44",""
"7248307","9.0389","0.0011","9.0389","0.0011","14.437","0.003","90","","90","","120","","1021.5","0.3","293","2","293","2","","","","","","","","6","P 63 2 2","P 6c 2c","182","","","","- C6 H24 Ag2 Co I4 N6 -","- C6 H24 Ag2 Co I4 N6 -","- C12 H48 Ag4 Co2 I8 N12 -","2","0.166667","","Gao, Yan; Yang, Xiao; Ren, Taohong; Jia, Dingxian","Facile syntheses, structures and photocatalytic properties of 3D iodoargentate frameworks derived from TM-flexible-amino-ligand templates","CrystEngComm","2024","26","16","2172","2179","10.1039/D4CE00247D","","","0.71073","MoKα","","0.0252","0.024","","","0.0545","0.0551","","","","","","1.273","","","","has coordinates","291593","2024-05-05","02:14:58",""
"7248308","9.0851","0.0011","9.0851","0.0011","14.411","0.003","90","","90","","120","","1030.1","0.3","293","2","293","2","","","","","","","","6","P 63 2 2","P 6c 2c","182","","","","- C6 H24 Ag2 Fe I4 N6 -","- C6 H24 Ag2 Fe I4 N6 -","- C12 H48 Ag4 Fe2 I8 N12 -","2","0.166667","","Gao, Yan; Yang, Xiao; Ren, Taohong; Jia, Dingxian","Facile syntheses, structures and photocatalytic properties of 3D iodoargentate frameworks derived from TM-flexible-amino-ligand templates","CrystEngComm","2024","26","16","2172","2179","10.1039/D4CE00247D","","","0.71073","MoKα","","0.0299","0.0235","","","0.0478","0.0501","","","","","","1.122","","","","has coordinates","291593","2024-05-05","02:15:03",""
"7248309","21.681","0.004","21.681","0.004","9.2216","0.0019","90","","90","","90","","4334.8","1.4","293","2","293","2","","","","","","","","7","I 41/a m d :2","-I 4bd 2","141","","","","- C8 H28 Ag2 Co I4 N6 O -","- C8 H8 Ag2 Co I4 N6 O -","- C32 H32 Ag8 Co4 I16 N24 O4 -","4","0.125","","Gao, Yan; Yang, Xiao; Ren, Taohong; Jia, Dingxian","Facile syntheses, structures and photocatalytic properties of 3D iodoargentate frameworks derived from TM-flexible-amino-ligand templates","CrystEngComm","2024","26","16","2172","2179","10.1039/D4CE00247D","","","0.7107","MoKα","","0.0685","0.043","","","0.0938","0.1053","","","","","","1.085","","","","has coordinates","291593","2024-05-05","02:15:03",""
"7248310","7.1123","0.0002","12.6881","0.0003","13.3199","0.0003","88.7065","0.0017","87.275","0.002","82.989","0.002","1191.5","0.05","100","0.11","100","0.11","","","","","","","","5","P -1","-P 1","2","","Niraparib tosylate monohydrate","","- C26 H30 N4 O5 S -","- C26 H30 N4 O5 S -","- C52 H60 N8 O10 S2 -","2","1","","Mudda, Ramesh Reddy; Devarapalli, Ramesh; Das, Arijit; Lakkireddy, Pullareddy; Reddy, Chilla Malla; Chennuru, Ramanaiah","A Zwitterionic Salt-Cocrystal: In-Vitro Insights from Niraparib Tosylate, an Anti-Cancer Drug","CrystEngComm","2024","","","","","10.1039/D4CE00114A","","x-ray","1.54184","CuKα","","0.0955","0.0921","","","0.1954","0.1971","","","","","","1.109","","","","has coordinates,has disorder","290496","2024-03-13","23:37:34",""
"7248311","5.9287","0.0001","22.876","0.0004","10.8603","0.0002","90","","97.155","0.002","90","","1461.46","0.05","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","Niraparib tosylate L-proline","","- C31 H37 N5 O6 S -","- C31 H37 N5 O6 S -","- C62 H74 N10 O12 S2 -","2","1","","Mudda, Ramesh Reddy; Devarapalli, Ramesh; Das, Arijit; Lakkireddy, Pullareddy; Reddy, Chilla Malla; Chennuru, Ramanaiah","A Zwitterionic Salt-Cocrystal: In-Vitro Insights from Niraparib Tosylate, an Anti-Cancer Drug","CrystEngComm","2024","","","","","10.1039/D4CE00114A","","x-ray","1.54184","CuKα","","0.0377","0.0354","","","0.092","0.0937","","","","","","1.05","","","","has coordinates","290496","2024-03-13","23:37:35",""
"7248314","13.32025","0.00013","13.32025","0.00013","31.8915","0.0006","90","","90","","90","","5658.48","0.13","297","2","297","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","R-Binol ; (R,R)-DADPE","(R)-(+)-1,1?-Bi(2-naphthol) ; (1R,2R)-N,N?-Dimethyl-1,2-diphenylethane-1,2-diamine","","- C34 H30 N2 O2 -","- C34 H30 N2 O2 -","- C272 H240 N16 O16 -","8","1","","de Meester, Joséphine; Shemchuk, Oleksii; Collard, Laurent; Wouters, Johan; Baillieux, Simon; Robeyns, Koen; Leyssens, Tom","Using the nature of the achiral solvent to orient chiral resolution","CrystEngComm","2024","26","15","2056","2059","10.1039/D4CE00124A","","","0.71073","MoKα","","0.0449","0.0394","","","0.1066","0.1101","","","","","","1.089","","","","has coordinates,has disorder","291599","2024-05-05","02:20:59",""
"7248315","23.5398","0.0017","23.5398","0.0017","15.3506","0.0009","90","","90","","90","","8506.1","1","150","2","150","2","","","","","","","","4","I 4 2 2","I 4 2","97","R-Binol (R,R)-DADPE benzene solvate","(R)-(+)-1,1?-Bi(2-naphthol) ; (1R,2R)-N,N?-Dimethyl-1,2-diphenylethane-1,2-diamine benzene solvate","","- C50.27 H46.27 N2 O2 -","- C50.32 H46.32 N2 O2 -","- C402.56 H370.56 N16 O16 -","8","0.5","","de Meester, Joséphine; Shemchuk, Oleksii; Collard, Laurent; Wouters, Johan; Baillieux, Simon; Robeyns, Koen; Leyssens, Tom","Using the nature of the achiral solvent to orient chiral resolution","CrystEngComm","2024","26","15","2056","2059","10.1039/D4CE00124A","","","0.71073","MoKα","","0.1477","0.1165","","","0.2486","0.2667","","","","","","1.248","","","","has coordinates,has disorder","291599","2024-05-05","02:21:02",""
"7248334","12.3533","0.0004","27.6883","0.0008","21.444","0.0007","90","","90","","90","","7334.7","0.4","150","0.1","150","0.1","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C86 H72 N12 Zn2 -","- C86 H72 N12 Zn2 -","- C344 H288 N48 Zn8 -","4","0.5","","Chauhan, Pinky; Pushpanandan, Poornenth; Ravikanth, Mangalampalli","Synthesis, structure, and properties of helical bis-Zn(ii) complexes of hexapyrrolic ligands","CrystEngComm","2024","26","17","2259","2268","10.1039/D4CE00019F","","x-ray","0.71073","MoKα","","0.0879","0.0541","","","0.1256","0.1481","","","","","","1.021","","","","has coordinates","291590","2024-05-05","02:10:51",""
"7248340","11.2868","0.0011","11.2868","0.0011","27.13","0.002","90","","90","","120","","2993.1","0.5","288","2","288","","","","","","","","","5","P 65","P 65","170","","","","- C14 H26 N2 O5 S -","- C14 H26 N2 O5 S -","- C84 H156 N12 O30 S6 -","6","1","","Yamanaka, Kazuaki; Oketani, Ryusei; Mori, Yuya; Sato, Takashi; Tsuzuki, Seiji; Takahashi, Hiroki; Tsue, Hirohito","Thermal fluctuation-induced selective CO2 uptake of seemingly nonporous N,C-protected dipeptide crystals as elucidated by in situ X-ray crystallographic analysis","CrystEngComm","2024","26","17","2314","2321","10.1039/D3CE01018J","","","0.71073","MoKα","","0.2396","0.0859","","","0.1623","0.2175","","","","","","1.0392","","","","has coordinates","291591","2024-05-05","02:12:22",""
"7248341","11.239","0.004","11.239","0.004","27.0392","0.001","90","","90","","120","","2957.9","1.5","188","2","188.15","","","","","","","","","5","P 65","P 65","170","","","","- C14.25 H26 N2 O5.51 S -","- C14.254 H26 N2 O5.508 S -","- C85.524 H156 N12 O33.048 S6 -","6","1","","Yamanaka, Kazuaki; Oketani, Ryusei; Mori, Yuya; Sato, Takashi; Tsuzuki, Seiji; Takahashi, Hiroki; Tsue, Hirohito","Thermal fluctuation-induced selective CO2 uptake of seemingly nonporous N,C-protected dipeptide crystals as elucidated by in situ X-ray crystallographic analysis","CrystEngComm","2024","26","17","2314","2321","10.1039/D3CE01018J","","","0.71075","MoKα","","0.101","0.0525","","","0.1424","0.1886","","","","","","0.8487","","","","has coordinates,has disorder","291591","2024-05-05","02:12:28",""
"7248342","11.2333","0.0009","11.2333","0.0009","27.046","0.002","90","","90","","120","","2955.6","0.4","238","","238","","","","","","","","","5","P 65","P 65","170","","","","- C14 H26 N2 O5 S -","- C14 H26 N2 O5 S -","- C84 H156 N12 O30 S6 -","6","1","","Yamanaka, Kazuaki; Oketani, Ryusei; Mori, Yuya; Sato, Takashi; Tsuzuki, Seiji; Takahashi, Hiroki; Tsue, Hirohito","Thermal fluctuation-induced selective CO2 uptake of seemingly nonporous N,C-protected dipeptide crystals as elucidated by in situ X-ray crystallographic analysis","CrystEngComm","2024","26","17","2314","2321","10.1039/D3CE01018J","","x-ray","0.71073","MoKα","","0.2013","0.0815","","","0.1848","0.246","","","","","","0.9909","","","","has coordinates","291591","2024-05-05","02:12:28",""
"7248343","11.3887","0.0008","11.3887","0.0008","27.3424","0.0002","90","","90","","120","","3071.3","0.3","188","2","188.15","","","","","","","","","5","P 65","P 65","170","","","","- C16 H30 N2 O5 S -","- C16 H30 N2 O5 S -","- C96 H180 N12 O30 S6 -","6","1","","Yamanaka, Kazuaki; Oketani, Ryusei; Mori, Yuya; Sato, Takashi; Tsuzuki, Seiji; Takahashi, Hiroki; Tsue, Hirohito","Thermal fluctuation-induced selective CO2 uptake of seemingly nonporous N,C-protected dipeptide crystals as elucidated by in situ X-ray crystallographic analysis","CrystEngComm","2024","26","17","2314","2321","10.1039/D3CE01018J","","x-ray","0.71073","MoKα","","0.1359","0.0754","","","0.1414","0.1646","","","","","","1.0308","","","","has coordinates","291591","2024-05-05","02:12:28",""
"7248344","11.4929","0.0007","11.4929","0.0007","27.9288","0.0018","90","","90","","120","","3194.8","0.3","188","2","188.15","","","","","","","","","5","P 65","P 65","170","","","","- C17 H32 N2 O5 S -","- C17 H32 N2 O5 S -","- C102 H192 N12 O30 S6 -","6","1","","Yamanaka, Kazuaki; Oketani, Ryusei; Mori, Yuya; Sato, Takashi; Tsuzuki, Seiji; Takahashi, Hiroki; Tsue, Hirohito","Thermal fluctuation-induced selective CO2 uptake of seemingly nonporous N,C-protected dipeptide crystals as elucidated by in situ X-ray crystallographic analysis","CrystEngComm","2024","26","17","2314","2321","10.1039/D3CE01018J","","x-ray","0.71073","MoKα","","0.1203","0.0732","","","0.1499","0.17","","","","","","1.0291","","","","has coordinates","291591","2024-05-05","02:12:28",""
"7248345","11.1876","0.0008","11.1876","0.0008","26.9537","0.0018","90","","90","","120","","2921.6","0.4","188","2","188.15","","","","","","","","","5","P 65","P 65","170","","","","- C14 H26 N2 O5 S -","- C14 H26 N2 O5 S -","- C84 H156 N12 O30 S6 -","6","1","","Yamanaka, Kazuaki; Oketani, Ryusei; Mori, Yuya; Sato, Takashi; Tsuzuki, Seiji; Takahashi, Hiroki; Tsue, Hirohito","Thermal fluctuation-induced selective CO2 uptake of seemingly nonporous N,C-protected dipeptide crystals as elucidated by in situ X-ray crystallographic analysis","CrystEngComm","2024","26","17","2314","2321","10.1039/D3CE01018J","","x-ray","0.71073","MoKα","","0.1442","0.0774","","","0.1692","0.1984","","","","","","1.0289","","","","has coordinates","291591","2024-05-05","02:12:28",""
"7248346","11.663","0.0007","15.3457","0.0008","17.2204","0.001","73.515","0.002","81.274","0.003","82.823","0.003","2910.2","0.3","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C33 H36 N4 O6 -","- C33 H36 N4 O6 -","- C132 H144 N16 O24 -","4","2","","Bracken, Matthew L.; Fernandes, Manuel A.; Mathura, Sadhna","Bilirubin and its crystal forms","CrystEngComm","2024","26","16","2136","2142","10.1039/D4CE00123K","","","0.71073","MoKα","","0.1243","0.0851","","","0.228","0.2681","","","","","","1.084","","","","has coordinates,has disorder","291594","2024-05-05","02:15:30",""
"7248347","11.8077","0.001","15.022","0.0012","19.3471","0.0017","98.973","0.003","104.421","0.003","111.029","0.003","2985.8","0.4","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C33 H36 N4 O6 -","- C33 H36 N4 O6 -","- C132 H144 N16 O24 -","4","2","","Bracken, Matthew L.; Fernandes, Manuel A.; Mathura, Sadhna","Bilirubin and its crystal forms","CrystEngComm","2024","26","16","2136","2142","10.1039/D4CE00123K","","","0.71073","MoKα","","0.1867","0.0948","","","0.224","0.2974","","","","","","1.029","","","","has coordinates,has disorder","291594","2024-05-05","02:15:34",""
"7248348","22.7598","0.0007","26.3415","0.0009","31.6172","0.0011","94.269","0.002","93.768","0.001","90.135","0.001","18861.4","1.1","190","2","190","2","","","","","","","","6","P -1","-P 1","2","","","","- C279 H346 N4 O54 Tb2 Ti13 -","- C279 H346 N4 O54 Tb2 Ti13 -","- C558 H692 N8 O108 Tb4 Ti26 -","2","1","","Wang, Yanyan; Xiong, Ying; Liao, Wuping","Solvent-polarity-controlled assembly of polynuclear titanium-calixarene complexes: constructing isolated {Ti7}, {Ti13}, {Ti24} and {Tb2Ti13} clusters","CrystEngComm","2024","26","17","2287","2296","10.1039/D3CE01275A","","","1.54178","CuKα","","0.1221","0.0894","","","0.2237","0.2565","","","","","","1.042","","","","has coordinates","291592","2024-05-05","02:14:04",""
"7248349","30.9135","0.0011","13.8627","0.0005","29.9394","0.0011","90","","114.261","0.001","90","","11697.2","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C96 H128 O24 Ti7 -","- C96 H128 O24 Ti7 -","- C384 H512 O96 Ti28 -","4","0.5","","Wang, Yanyan; Xiong, Ying; Liao, Wuping","Solvent-polarity-controlled assembly of polynuclear titanium-calixarene complexes: constructing isolated {Ti7}, {Ti13}, {Ti24} and {Tb2Ti13} clusters","CrystEngComm","2024","26","17","2287","2296","10.1039/D3CE01275A","","","1.54178","CuKα","","0.1122","0.069","","","0.1891","0.2142","","","","","","1.094","","","","has coordinates","291592","2024-05-05","02:14:11",""
"7248350","59.769","0.0016","25.6869","0.0006","37.7482","0.001","90","","112.768","0.002","90","","53438","2","180","2","180","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C185 H235 O42 Ti13 -","- C185 H235 O42 Ti13 -","- C1480 H1880 O336 Ti104 -","8","1","","Wang, Yanyan; Xiong, Ying; Liao, Wuping","Solvent-polarity-controlled assembly of polynuclear titanium-calixarene complexes: constructing isolated {Ti7}, {Ti13}, {Ti24} and {Tb2Ti13} clusters","CrystEngComm","2024","26","17","2287","2296","10.1039/D3CE01275A","","","1.54178","CuKα","","0.1415","0.0897","","","0.257","0.2885","","","","","","1.117","","","","has coordinates","291592","2024-05-05","02:14:23",""
"7248351","22.916","0.0006","23.1929","0.0006","25.3092","0.0006","111.59","0.001","108.549","0.001","96.595","0.001","11440.4","0.5","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C358 H430 N2 O72 Ti24 -","- C358 H430 N2 O72 Ti24 -","- C358 H430 N2 O72 Ti24 -","1","0.5","","Wang, Yanyan; Xiong, Ying; Liao, Wuping","Solvent-polarity-controlled assembly of polynuclear titanium-calixarene complexes: constructing isolated {Ti7}, {Ti13}, {Ti24} and {Tb2Ti13} clusters","CrystEngComm","2024","26","17","2287","2296","10.1039/D3CE01275A","","","1.54178","CuKα","","0.1073","0.0809","","","0.2205","0.2461","","","","","","1.094","","","","has coordinates","291592","2024-05-05","02:14:23",""
"7248352","9.522","0.0015","10.5289","0.0015","13.8101","0.0019","90","","104.454","0.002","90","","1340.7","0.3","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 Cd N12 O8 -","- C22 H22 Cd N12 O8 -","- C44 H44 Cd2 N24 O16 -","2","0.5","","Wang, Jun; Xia, Yinggui; Lan, Xue; Liu, Xiaohong; Muddassir, Mohd.; Srivastava, Devyani; Kushwaha, Aparna; Kumar, Abhinav","A new Cd(II)-based coordination polymer as luminescent sensor and adsorbent against dichromate ion","CrystEngComm","2024","","","","","10.1039/D4CE00256C","","","0.71073","MoKα","","0.0603","0.0371","","","0.1053","0.1272","","","","","","0.838","","","","has coordinates","290690","2024-03-27","23:36:31",""
"7248357","9.7815","0.0008","13.1368","0.0015","18.8649","0.0002","102.042","0.007","104.779","0.006","105.238","0.009","2160.5","0.4","293","","293","","","","","","","","","8","P -1","-P 1","2","","","","- C86 H72 Cl8 Cu2 I2 N2 O2 P4 -","- C86 H72 Cl8 Cu2 I2 N2 O2 P4 -","- C86 H72 Cl8 Cu2 I2 N2 O2 P4 -","1","0.5","","Mou, Wen-Long; Gao, Cheng-Jie; Li, Zi-Xi; Fan, Si-Jie; Hou, Chuan-Bin; Zhao, Jing-Tong; Zhang, Shuai; Li, Zhong-Feng; Han, Hong-Liang; Duan, Chun-Bo; Wang, Guo; Jin, Qiong-Hua","Synthesis and luminescent properties of three excellent yellow emissive Cu(i) complexes based on the diphosphine ligand and the diimine ligand","CrystEngComm","2024","26","17","2297","2305","10.1039/D4CE00206G","","x-ray","1.54184","CuKα","","0.045","0.0434","","","0.1249","0.1265","","","","","","1.079","","","","has coordinates","291589","2024-05-05","02:10:14",""
"7248358","9.6943","0.0001","13.0554","0.0001","18.6809","0.0002","101.251","0.001","104.377","0.001","105.007","0.001","2125.44","0.04","293","","293","","","","","","","","","8","P -1","-P 1","2","","","","- C86 H72 Br2 Cl8 Cu2 N2 O2 P4 -","- C86 H72 Br2 Cl8 Cu2 N2 O2 P4 -","- C86 H72 Br2 Cl8 Cu2 N2 O2 P4 -","1","0.5","","Mou, Wen-Long; Gao, Cheng-Jie; Li, Zi-Xi; Fan, Si-Jie; Hou, Chuan-Bin; Zhao, Jing-Tong; Zhang, Shuai; Li, Zhong-Feng; Han, Hong-Liang; Duan, Chun-Bo; Wang, Guo; Jin, Qiong-Hua","Synthesis and luminescent properties of three excellent yellow emissive Cu(i) complexes based on the diphosphine ligand and the diimine ligand","CrystEngComm","2024","26","17","2297","2305","10.1039/D4CE00206G","","x-ray","1.54184","CuKα","","0.0634","0.0603","","","0.1748","0.1779","","","","","","1.044","","","","has coordinates","291589","2024-05-05","02:10:17",""
"7248359","15.5297","0.0001","19.398","0.0002","15.0582","0.0001","90","","99.942","0.001","90","","4468.09","0.06","293","","293","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H42 Cl3 Cu N2 O2 P2 -","- C48 H42 Cl3 Cu N2 O2 P2 -","- C192 H168 Cl12 Cu4 N8 O8 P8 -","4","1","","Mou, Wen-Long; Gao, Cheng-Jie; Li, Zi-Xi; Fan, Si-Jie; Hou, Chuan-Bin; Zhao, Jing-Tong; Zhang, Shuai; Li, Zhong-Feng; Han, Hong-Liang; Duan, Chun-Bo; Wang, Guo; Jin, Qiong-Hua","Synthesis and luminescent properties of three excellent yellow emissive Cu(i) complexes based on the diphosphine ligand and the diimine ligand","CrystEngComm","2024","26","17","2297","2305","10.1039/D4CE00206G","","x-ray","1.54184","CuKα","","0.0691","0.0622","","","0.196","0.204","","","","","","1.062","","","","has coordinates","291589","2024-05-05","02:10:17",""
"7248365","11.33","0.005","15.692","0.007","25.45","0.011","90","","90","","90","","4525","3","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H19 Co N7 O9 -","- C20 H19 Co N7 O9 -","- C160 H152 Co8 N56 O72 -","8","1","","Sahoo, Subham; Patra, Rajesh; Sarma, Debajit","Coordinatively Unsaturated 5-Nitroisophthalate based Cobalt(II) Coordination Polymers: Efficient Catalytic CO2 Fixation and Hantzsch Condensation","CrystEngComm","2024","","","","","10.1039/D4CE00102H","","","0.71073","MoKα","","0.1293","0.1105","","","0.1952","0.2039","","","","","","1.4","","","","has coordinates","290718","2024-04-01","22:39:55",""
"7248366","9.076","0.0003","14.649","0.0005","16.6993","0.0006","90","","95.558","0.001","90","","2209.81","0.13","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 Co N7 O7 -","- C20 H15 Co N7 O7 -","- C80 H60 Co4 N28 O28 -","4","1","","Sahoo, Subham; Patra, Rajesh; Sarma, Debajit","Coordinatively Unsaturated 5-Nitroisophthalate based Cobalt(II) Coordination Polymers: Efficient Catalytic CO2 Fixation and Hantzsch Condensation","CrystEngComm","2024","","","","","10.1039/D4CE00102H","","","0.71073","MoKα","","0.0927","0.0624","","","0.0908","0.1022","","","","","","1.186","","","","has coordinates","290718","2024-04-01","22:39:56",""
"7248367","13.7185","0.0018","7.2021","0.0009","8.8003","0.0012","90","","90","","90","","869.5","0.2","150","2","150","2","","","","","","","synthesis as described","4","P n m a","-P 2ac 2n","62","","","","- C8 H5 Br2 N -","- C8 H5 Br2 N -","- C32 H20 Br8 N4 -","4","0.5","","Kupietz, Kamil; Gomila, Rosa M.; Roisnel, Thierry; Frontera, Antonio; Gramage-Doria, Rafael","Shortening CN⋯Br–Csp3 halogen bonds via π-stacking","CrystEngComm","2024","26","16","2131","2135","10.1039/D4CE00307A","","x-ray","0.71073","MoKα","","0.0316","0.0238","","","0.0523","0.0563","","","","","","1.045","","","","has coordinates","291595","2024-05-05","02:16:07",""
"7248377","5.424","0.0008","10.6544","0.0014","11.243","0.007","90","","101.4","0.03","90","","636.9","0.4","120.1","0.2","120.1","0.2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H3 Cl3 N4 O5 -","- C9 H3 Cl3 N4 O5 -","- C18 H6 Cl6 N8 O10 -","2","1","","Zhao, Binshan; Kuang, Baolong; Sun, Mou; Wang, Tingwei; Zhang, Chao; Xu, Meiqi; Li, Cong; Lu, Zu-Jia; Zhang, Jianguo","3-(3,5-Dinitrophenyl)-5-amino-1,2,4-oxadiazole：Synthesis, Structure and Properties of a Novel Insensitive Energetic Material","CrystEngComm","2024","","","","","10.1039/D4CE00201F","","x-ray","0.71073","MoKα","","0.0463","0.0402","","","0.0687","0.0732","","","","","","0.998","","","","has coordinates","290756","2024-04-03","22:33:05",""
"7248378","6.8806","0.0004","14.1354","0.0008","10.3877","0.0005","90","","103.677","0.005","90","","981.66","0.09","116.7","0.9","116.7","0.9","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H5 N5 O5 -","- C8 H5 N5 O5 -","- C32 H20 N20 O20 -","4","1","","Zhao, Binshan; Kuang, Baolong; Sun, Mou; Wang, Tingwei; Zhang, Chao; Xu, Meiqi; Li, Cong; Lu, Zu-Jia; Zhang, Jianguo","3-(3,5-Dinitrophenyl)-5-amino-1,2,4-oxadiazole：Synthesis, Structure and Properties of a Novel Insensitive Energetic Material","CrystEngComm","2024","","","","","10.1039/D4CE00201F","","x-ray","0.71073","MoKα","","0.0732","0.0476","","","0.0986","0.1161","","","","","","1.046","","","","has coordinates","290756","2024-04-03","22:33:07",""
"7248384","16.08","0.003","14.472","0.003","37.326","0.008","90","","100.611","0.008","90","","8538","3","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C83 H62 K2 Mn2 N12 O20 -","- C83 H62 K2 Mn2 N12 O20 -","- C332 H248 K8 Mn8 N48 O80 -","4","0.5","","Mendoza-Baez, Raul; Molina-Renteria, Alan; Olguín, Juan","Nitro group and K+ based secondary building unit for the self-assembly of 3D coordination polymers built on dinuclear dianionic helicate connectors","CrystEngComm","2024","","","","","10.1039/D4CE00255E","","","0.71073","MoKα","","0.1797","0.0737","","","0.1871","0.248","","","","","","1.026","","","","has coordinates,has disorder","291101","2024-04-05","22:42:34",""
"7248385","15.761","0.0011","14.5644","0.0009","36.558","0.003","90","","97.921","0.002","90","","8311.8","1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C83 H57 K2 N13 Ni2 O18 -","- C83 H57 K2 N13 Ni2 O18 -","- C332 H228 K8 N52 Ni8 O72 -","4","0.5","","Mendoza-Baez, Raul; Molina-Renteria, Alan; Olguín, Juan","Nitro group and K+ based secondary building unit for the self-assembly of 3D coordination polymers built on dinuclear dianionic helicate connectors","CrystEngComm","2024","","","","","10.1039/D4CE00255E","","","0.71073","MoKα","","0.1076","0.0642","","","0.1671","0.1879","","","","","","1.066","","","","has coordinates","291101","2024-04-05","22:42:35",""
"7248386","7.4377","0.0003","14.7657","0.0004","23.7592","0.0007","90","","93.154","0.003","90","","2605.35","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H26 N2 O3 S -","- C33 H26 N2 O3 S -","- C132 H104 N8 O12 S4 -","4","1","","Sehlangia, Suman; Dogra, Surbhi; Mondal, Prosenjit; Pradeep, Chullikkattil P.","New 8-Hydroxy Quinoline-Polycyclic Aromatic Hydrocarbon (PAH) Conjugates and Their Sulfonated Derivatives: Effects of Sulfonation and PAH Size on their Structural, Supramolecular and Cytotoxic Properties","CrystEngComm","2024","","","","","10.1039/D4CE00105B","","x-ray","1.54184","CuKα","","0.0513","0.0403","","","","0.119","","","","","","1.0803","","","","has coordinates","291102","2024-04-05","22:43:22",""
"7248387","8.0458","0.0005","13.1703","0.0009","14.8309","0.0013","74.204","0.007","74.975","0.006","86.981","0.005","1460.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H28 N2 O3 S -","- C39 H28 N2 O3 S -","- C78 H56 N4 O6 S2 -","2","1","","Sehlangia, Suman; Dogra, Surbhi; Mondal, Prosenjit; Pradeep, Chullikkattil P.","New 8-Hydroxy Quinoline-Polycyclic Aromatic Hydrocarbon (PAH) Conjugates and Their Sulfonated Derivatives: Effects of Sulfonation and PAH Size on their Structural, Supramolecular and Cytotoxic Properties","CrystEngComm","2024","","","","","10.1039/D4CE00105B","","x-ray","1.54184","CuKα","","0.074","0.0554","","","","0.136","","","","","","0.9788","","","","has coordinates","291102","2024-04-05","22:43:23",""
"7248388","15.948","0.0006","6.6074","0.0003","14.6479","0.0006","90","","90","","90","","1543.52","0.11","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C21 H15 N O -","- C21 H15 N O -","- C84 H60 N4 O4 -","4","1","","Sehlangia, Suman; Dogra, Surbhi; Mondal, Prosenjit; Pradeep, Chullikkattil P.","New 8-Hydroxy Quinoline-Polycyclic Aromatic Hydrocarbon (PAH) Conjugates and Their Sulfonated Derivatives: Effects of Sulfonation and PAH Size on their Structural, Supramolecular and Cytotoxic Properties","CrystEngComm","2024","","","","","10.1039/D4CE00105B","","x-ray","0.71073","MoKα","","0.0623","0.048","","","0.107","0.1198","","","","","","1.0901","","","","has coordinates","291102","2024-04-05","22:43:23",""
"7248389","15.5838","0.0015","6.6875","0.0006","18.8389","0.0019","90","","107.494","0.011","90","","1872.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H17 N O -","- C27 H17 N O -","- C108 H68 N4 O4 -","4","1","","Sehlangia, Suman; Dogra, Surbhi; Mondal, Prosenjit; Pradeep, Chullikkattil P.","New 8-Hydroxy Quinoline-Polycyclic Aromatic Hydrocarbon (PAH) Conjugates and Their Sulfonated Derivatives: Effects of Sulfonation and PAH Size on their Structural, Supramolecular and Cytotoxic Properties","CrystEngComm","2024","","","","","10.1039/D4CE00105B","","x-ray","1.54184","CuKα","","0.0631","0.0432","","","0.1143","0.1357","","","","","","1.0493","","","","has coordinates","291102","2024-04-05","22:43:23",""
"7248390","10.5913","0.0007","11.8069","0.0007","12.2854","0.0007","103.279","0.005","103.085","0.005","96.474","0.005","1434.23","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H28 N2 O3 S -","- C37 H28 N2 O3 S -","- C74 H56 N4 O6 S2 -","2","1","","Sehlangia, Suman; Dogra, Surbhi; Mondal, Prosenjit; Pradeep, Chullikkattil P.","New 8-Hydroxy Quinoline-Polycyclic Aromatic Hydrocarbon (PAH) Conjugates and Their Sulfonated Derivatives: Effects of Sulfonation and PAH Size on their Structural, Supramolecular and Cytotoxic Properties","CrystEngComm","2024","","","","","10.1039/D4CE00105B","","x-ray","1.54184","CuKα","","0.052","0.0415","","","0.1079","0.1172","","","","","","1.0575","","","","has coordinates","291102","2024-04-05","22:43:23",""
"7248397","4.4917","0.0006","5.4314","0.0008","8.3789","0.0012","90","","90","","90","","204.41","0.05","296","2","296","2","","","","","","","","4","P n n m","-P 2 2n","58","","","","- B4 Co1.76 Ni4.24 O12 -","- B4 Co1.76 Ni4.24 O12 -","- B4 Co1.76 Ni4.24 O12 -","1","0.125","","Sofronova, Svetlana; Moshkina, Evgeniya; Chernyshev, Artem; Vasil’ev, Alexander D.; Maximov, Nikolai; Aleksandrovsky, A.S.; Andryushchenko, Tatyana; Shabanov, Alexander","Crystal growth and cation order of Ni3-xCoxB2O6 oxyborates","CrystEngComm","2024","","","","","10.1039/D4CE00091A","","","0.71073","MoKα","","0.0321","0.0288","","","0.0783","0.0838","","","","","","1.164","","","","has coordinates","291201","2024-04-15","22:44:56",""
"7248398","14.3876","0.0008","14.3876","0.0008","15.9256","0.001","90","","90","","120","","2855","0.3","296","2","296","2","","","","","","","","5","P 6/m c c","-P 6 2c","192","","","","- C24 H40.5 Co3 Dy2 O39 -","- C24 H40.5 Co3 Dy2 O39 -","- C48 H81 Co6 Dy4 O78 -","2","0.0833333","","Igoa, Fernando; López Cabrera, Agustín; Gonzalez-Platas, Javier; Suescun, Leopoldo; Kremer, Carlos; Torres, Julia","Extended isomerism in heteronuclear metal-organic frameworks: synthetic strategies and crystal structures of lanthanide-cobalt-oxydiacetate systems","CrystEngComm","2024","","","","","10.1039/D4CE00168K","","","0.71073","MoKα","","0.0603","0.0315","","","0.0909","0.1101","","","","","","1.103","","","","has coordinates,has disorder","291203","2024-04-15","22:48:06",""
"7248399","25.5971","0.0007","25.5971","0.0007","25.5971","0.0007","90","","90","","90","","16771.5","0.8","296","2","296","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C24 H42 Co3 O39 Y2 -","- C24 H42 Co3 O39 Y2 -","- C384 H672 Co48 O624 Y32 -","16","0.0833333","","Igoa, Fernando; López Cabrera, Agustín; Gonzalez-Platas, Javier; Suescun, Leopoldo; Kremer, Carlos; Torres, Julia","Extended isomerism in heteronuclear metal-organic frameworks: synthetic strategies and crystal structures of lanthanide-cobalt-oxydiacetate systems","CrystEngComm","2024","","","","","10.1039/D4CE00168K","","","0.71073","MoKα","","0.0498","0.0332","","","0.0923","0.1094","","","","","","1.122","","","","has coordinates,has disorder","291203","2024-04-15","22:48:07",""
"7248400","25.8541","0.0005","25.8541","0.0005","25.8541","0.0005","90","","90","","90","","17281.8","0.6","298","2","298","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C24 H30 Co3 Eu2 O39 -","- C24 H30 Co3 Eu2 O39 -","- C384 H480 Co48 Eu32 O624 -","16","0.0833333","","Igoa, Fernando; López Cabrera, Agustín; Gonzalez-Platas, Javier; Suescun, Leopoldo; Kremer, Carlos; Torres, Julia","Extended isomerism in heteronuclear metal-organic frameworks: synthetic strategies and crystal structures of lanthanide-cobalt-oxydiacetate systems","CrystEngComm","2024","","","","","10.1039/D4CE00168K","","x-ray","0.71073","MoKα","","0.0458","0.0336","","","0.0721","0.0802","","","","","","1.154","","","","has coordinates","291203","2024-04-15","22:48:07",""
"7248401","14.7363","0.0005","14.7363","0.0005","15.6706","0.0006","90","","90","","120","","2947.09","0.18","293","2","293","2","","","","","","","","5","P 6/m c c","-P 6 2c","192","","","","- C24 H30 Co3 Gd2 O37 -","- C24 H30 Co3 Gd2 O37.0002 -","- C48 H60 Co6 Gd4 O74.0004 -","2","0.0833333","","Igoa, Fernando; López Cabrera, Agustín; Gonzalez-Platas, Javier; Suescun, Leopoldo; Kremer, Carlos; Torres, Julia","Extended isomerism in heteronuclear metal-organic frameworks: synthetic strategies and crystal structures of lanthanide-cobalt-oxydiacetate systems","CrystEngComm","2024","","","","","10.1039/D4CE00168K","","x-ray","0.71073","MoKα","","0.0657","0.0453","","","0.1462","0.1574","","","","","","1.155","","","","has coordinates","291203","2024-04-15","22:48:07",""
"7248402","14.8895","0.0009","14.8895","0.0009","15.5803","0.0009","90","","90","","120","","2991.3","0.3","293","2","293","2","","","","","","","","5","P 6/m c c","-P 6 2c","192","","","","- C24 H36 Co3 O37 Sm2 -","- C24 H36 Co3 O37.0002 Sm2 -","- C48 H72 Co6 O74.0004 Sm4 -","2","0.0833333","","Igoa, Fernando; López Cabrera, Agustín; Gonzalez-Platas, Javier; Suescun, Leopoldo; Kremer, Carlos; Torres, Julia","Extended isomerism in heteronuclear metal-organic frameworks: synthetic strategies and crystal structures of lanthanide-cobalt-oxydiacetate systems","CrystEngComm","2024","","","","","10.1039/D4CE00168K","","x-ray","0.71073","MoKα","","0.0721","0.0463","","","0.1459","0.1628","","","","","","1.096","","","","has coordinates","291203","2024-04-15","22:48:08",""
"7248403","25.4349","0.0002","25.4349","0.0002","25.4349","0.0002","90","","90","","90","","16454.7","0.2","298","2","298","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C24 H30 Co3 Lu2 O38 -","- C24 H30 Co3 Lu2 O37.9998 -","- C384 H480 Co48 Lu32 O607.997 -","16","0.0833333","","Igoa, Fernando; López Cabrera, Agustín; Gonzalez-Platas, Javier; Suescun, Leopoldo; Kremer, Carlos; Torres, Julia","Extended isomerism in heteronuclear metal-organic frameworks: synthetic strategies and crystal structures of lanthanide-cobalt-oxydiacetate systems","CrystEngComm","2024","","","","","10.1039/D4CE00168K","","x-ray","0.71073","MoKα","","0.0236","0.0213","","","0.0668","0.0682","","","","","","1.218","","","","has coordinates","291203","2024-04-15","22:48:08",""
"7248404","15.2306","0.0002","15.2306","0.0002","15.2343","0.0003","90","","90","","120","","3060.46","0.08","298","2","298","2","","","","","","","","5","P 6/m c c","-P 6 2c","192","","","","- C24 H30 Ce2 Co3 O40.5 -","- C24 H30 Ce2 Co3 O40.5 -","- C48 H60 Ce4 Co6 O81 -","2","0.0833333","","Igoa, Fernando; López Cabrera, Agustín; Gonzalez-Platas, Javier; Suescun, Leopoldo; Kremer, Carlos; Torres, Julia","Extended isomerism in heteronuclear metal-organic frameworks: synthetic strategies and crystal structures of lanthanide-cobalt-oxydiacetate systems","CrystEngComm","2024","","","","","10.1039/D4CE00168K","","x-ray","0.71073","MoKα","","0.032","0.0276","","","0.1031","0.1074","","","","","","1.011","","","","has coordinates","291203","2024-04-15","22:48:08",""
"7248405","15.2346","0.0003","15.2346","0.0003","15.2447","0.0003","90","","90","","120","","3064.16","0.1","298","2","298","2","","","","","","","","5","P 6/m c c","-P 6 2c","192","","","","- C24 H30 Co3 O40.5 Pr2 -","- C24 H30 Co3 O40.5 Pr2 -","- C48 H60 Co6 O81 Pr4 -","2","0.0833333","","Igoa, Fernando; López Cabrera, Agustín; Gonzalez-Platas, Javier; Suescun, Leopoldo; Kremer, Carlos; Torres, Julia","Extended isomerism in heteronuclear metal-organic frameworks: synthetic strategies and crystal structures of lanthanide-cobalt-oxydiacetate systems","CrystEngComm","2024","","","","","10.1039/D4CE00168K","","x-ray","0.71073","MoKα","","0.0394","0.0325","","","0.1291","0.1359","","","","","","1.076","","","","has coordinates","291203","2024-04-15","22:48:08",""
"7248406","14.8895","0.0009","14.8895","0.0009","15.5803","0.0009","90","","90","","120","","2991.3","0.3","293","2","293","2","","","","","","","","5","P 6/m c c","-P 6 2c","192","","","","- C24 H36 Co3 O37 Sm2 -","- C24 H36 Co3 O37.0002 Sm2 -","- C48 H72 Co6 O74.0004 Sm4 -","2","0.0833333","","Igoa, Fernando; López Cabrera, Agustín; Gonzalez-Platas, Javier; Suescun, Leopoldo; Kremer, Carlos; Torres, Julia","Extended isomerism in heteronuclear metal-organic frameworks: synthetic strategies and crystal structures of lanthanide-cobalt-oxydiacetate systems","CrystEngComm","2024","","","","","10.1039/D4CE00168K","","x-ray","0.71073","MoKα","","0.0721","0.0463","","","0.1459","0.1628","","","","","","1.096","","","","has coordinates","291203","2024-04-15","22:48:08",""
"7248407","14.5351","0.0009","14.5351","0.0009","15.8928","0.001","90","","90","","120","","2907.8","0.3","298","2","298","2","","","","","","","","5","P 6/m c c","-P 6 2c","192","","","","- C24 H30 Co3 Ho2 O40.5 -","- C24 H30 Co3 Ho2 O40.5 -","- C48 H60 Co6 Ho4 O81 -","2","0.0833333","","Igoa, Fernando; López Cabrera, Agustín; Gonzalez-Platas, Javier; Suescun, Leopoldo; Kremer, Carlos; Torres, Julia","Extended isomerism in heteronuclear metal-organic frameworks: synthetic strategies and crystal structures of lanthanide-cobalt-oxydiacetate systems","CrystEngComm","2024","","","","","10.1039/D4CE00168K","","x-ray","0.71073","MoKα","","0.0417","0.0292","","","0.0863","0.0933","","","","","","1.056","","","","has coordinates","291203","2024-04-15","22:48:08",""
"7248408","25.5505","0.0008","25.5505","0.0008","25.5505","0.0008","90","","90","","90","","16680.1","0.9","298","2","298","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C24 H30 Co3 Ho2 O38 -","- C24 H30 Co3 Ho2 O37.9998 -","- C384 H480 Co48 Ho32 O607.997 -","16","0.0833333","","Igoa, Fernando; López Cabrera, Agustín; Gonzalez-Platas, Javier; Suescun, Leopoldo; Kremer, Carlos; Torres, Julia","Extended isomerism in heteronuclear metal-organic frameworks: synthetic strategies and crystal structures of lanthanide-cobalt-oxydiacetate systems","CrystEngComm","2024","","","","","10.1039/D4CE00168K","","x-ray","0.71073","MoKα","","0.0359","0.0257","","","0.077","0.0859","","","","","","1.165","","","","has coordinates","291203","2024-04-15","22:48:08",""
"7248409","14.826","0.0005","14.826","0.0005","15.6527","0.0005","90","","90","","120","","2979.67","0.17","293","2","293","2","","","","","","","","5","P 6/m c c","-P 6 2c","192","","","","- C24 H30 Co3 Eu2 O37 -","- C24 H30 Co3 Eu2 O37.0002 -","- C48 H60 Co6 Eu4 O74.0004 -","2","0.0833333","","Igoa, Fernando; López Cabrera, Agustín; Gonzalez-Platas, Javier; Suescun, Leopoldo; Kremer, Carlos; Torres, Julia","Extended isomerism in heteronuclear metal-organic frameworks: synthetic strategies and crystal structures of lanthanide-cobalt-oxydiacetate systems","CrystEngComm","2024","","","","","10.1039/D4CE00168K","","x-ray","0.71073","MoKα","","0.0529","0.0355","","","0.0907","0.0974","","","","","","1.133","","","","has coordinates","291203","2024-04-15","22:48:08",""
"7248410","14.5233","0.0006","14.5233","0.0006","15.8044","0.0007","90","","90","","120","","2886.9","0.2","298","2","298","2","","","","","","","","5","P 6/m c c","-P 6 2c","192","","","","- C24 H30 Co3 O40.5 Y2 -","- C24 H30 Co3 O40.5 Y2 -","- C48 H60 Co6 O81 Y4 -","2","0.0833333","","Igoa, Fernando; López Cabrera, Agustín; Gonzalez-Platas, Javier; Suescun, Leopoldo; Kremer, Carlos; Torres, Julia","Extended isomerism in heteronuclear metal-organic frameworks: synthetic strategies and crystal structures of lanthanide-cobalt-oxydiacetate systems","CrystEngComm","2024","","","","","10.1039/D4CE00168K","","x-ray","1.54184","CuKα","","0.0424","0.0399","","","0.1293","0.133","","","","","","1.124","","","","has coordinates","291203","2024-04-15","22:48:08",""
"7248411","25.4426","0.001","25.4426","0.001","25.4426","0.001","90","","90","","90","","16469.7","1.1","298","2","298","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C24 H30 Co3 O38 Yb2 -","- C24 H30 Co3 O37.9998 Yb2 -","- C384 H480 Co48 O607.997 Yb32 -","16","0.0833333","","Igoa, Fernando; López Cabrera, Agustín; Gonzalez-Platas, Javier; Suescun, Leopoldo; Kremer, Carlos; Torres, Julia","Extended isomerism in heteronuclear metal-organic frameworks: synthetic strategies and crystal structures of lanthanide-cobalt-oxydiacetate systems","CrystEngComm","2024","","","","","10.1039/D4CE00168K","","x-ray","0.71073","MoKα","","0.0536","0.0293","","","0.0879","0.1072","","","","","","1.074","","","","has coordinates","291203","2024-04-15","22:48:08",""
"7248412","25.6646","0.0011","25.6646","0.0011","25.6646","0.0011","90","","90","","90","","16904.5","1.3","298","2","298","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C24 H36 Co3 O39 Tb2 -","- C24 H36 Co3 O39 Tb2 -","- C384 H576 Co48 O624 Tb32 -","16","0.0833333","","Igoa, Fernando; López Cabrera, Agustín; Gonzalez-Platas, Javier; Suescun, Leopoldo; Kremer, Carlos; Torres, Julia","Extended isomerism in heteronuclear metal-organic frameworks: synthetic strategies and crystal structures of lanthanide-cobalt-oxydiacetate systems","CrystEngComm","2024","","","","","10.1039/D4CE00168K","","x-ray","0.71073","MoKα","","0.0473","0.0325","","","0.0732","0.08","","","","","","1.197","","","","has coordinates","291203","2024-04-15","22:48:08",""
"7248413","14.6496","0.0005","14.6496","0.0005","15.7485","0.0006","90","","90","","120","","2926.99","0.18","293","2","293","2","","","","","","","","5","P 6/m c c","-P 6 2c","192","","","","- C24 H36 Co3 O37 Tb2 -","- C24 H36 Co3 O37.0002 Tb2 -","- C48 H72 Co6 O74.0004 Tb4 -","2","0.0833333","","Igoa, Fernando; López Cabrera, Agustín; Gonzalez-Platas, Javier; Suescun, Leopoldo; Kremer, Carlos; Torres, Julia","Extended isomerism in heteronuclear metal-organic frameworks: synthetic strategies and crystal structures of lanthanide-cobalt-oxydiacetate systems","CrystEngComm","2024","","","","","10.1039/D4CE00168K","","x-ray","0.71073","MoKα","","0.059","0.0416","","","0.1066","0.1147","","","","","","1.163","","","","has coordinates","291203","2024-04-15","22:48:08",""
"7248414","25.4416","0.0009","25.4416","0.0009","25.4416","0.0009","90","","90","","90","","16467.7","1","298","2","298","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C24 H30 Co3 O39 Tm2 -","- C24 H30 Co3 O39 Tm2 -","- C384 H480 Co48 O624 Tm32 -","16","0.0833333","","Igoa, Fernando; López Cabrera, Agustín; Gonzalez-Platas, Javier; Suescun, Leopoldo; Kremer, Carlos; Torres, Julia","Extended isomerism in heteronuclear metal-organic frameworks: synthetic strategies and crystal structures of lanthanide-cobalt-oxydiacetate systems","CrystEngComm","2024","","","","","10.1039/D4CE00168K","","x-ray","0.71073","MoKα","","0.0572","0.0327","","","0.0905","0.109","","","","","","1.152","","","","has coordinates","291203","2024-04-15","22:48:08",""
"7248415","14.7363","0.0005","14.7363","0.0005","15.6706","0.0006","90","","90","","120","","2947.09","0.18","293","2","293","2","","","","","","","","5","P 6/m c c","-P 6 2c","192","","","","- C24 H30 Co3 Gd2 O37 -","- C24 H30 Co3 Gd2 O37.0002 -","- C48 H60 Co6 Gd4 O74.0004 -","2","0.0833333","","Igoa, Fernando; López Cabrera, Agustín; Gonzalez-Platas, Javier; Suescun, Leopoldo; Kremer, Carlos; Torres, Julia","Extended isomerism in heteronuclear metal-organic frameworks: synthetic strategies and crystal structures of lanthanide-cobalt-oxydiacetate systems","CrystEngComm","2024","","","","","10.1039/D4CE00168K","","x-ray","0.71073","MoKα","","0.0657","0.0453","","","0.1463","0.1574","","","","","","1.156","","","","has coordinates","291203","2024-04-15","22:48:08",""
"7248436","8.7307","0.0003","16.6328","0.0007","9.6082","0.0004","90","","100.146","0.001","90","","1373.45","0.09","250","2","250","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 N9 O Pb -","- C11 H9 N9 O Pb -","- C44 H36 N36 O4 Pb4 -","4","1","","Mahmoudi, Ghodrat; Garcia-Santos, Isabel; Fernández-Vázquez, Roi; Gomila, Rosa Maria; Castineiras, Alfonso; Doustkhah, Esmail; Zangrando, Ennio; Frontera, Antonio","Structural diversity and tetrel bonding significance in lead(II) complexes with pyrazoylisonicotinoylhydrazone and varied anionic co-ligands","CrystEngComm","2024","","","","","10.1039/D4CE00325J","","","0.71073","MoKα","","0.0175","0.0144","","","0.0303","0.0311","","","","","","1.09","","","","has coordinates","291262","2024-04-17","22:33:26",""
"7248437","7.1869","0.0003","18.1539","0.0007","10.3088","0.0004","90","","97.142","0.002","90","","1334.56","0.09","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 N7 O3 Pb -","- C11 H9 N7 O3 Pb -","- C44 H36 N28 O12 Pb4 -","4","1","","Mahmoudi, Ghodrat; Garcia-Santos, Isabel; Fernández-Vázquez, Roi; Gomila, Rosa Maria; Castineiras, Alfonso; Doustkhah, Esmail; Zangrando, Ennio; Frontera, Antonio","Structural diversity and tetrel bonding significance in lead(II) complexes with pyrazoylisonicotinoylhydrazone and varied anionic co-ligands","CrystEngComm","2024","","","","","10.1039/D4CE00325J","","","0.71073","MoKα","","0.0238","0.0199","","","0.0457","0.0473","","","","","","1.071","","","","has coordinates","291262","2024-04-17","22:33:43",""
"7248438","8.4135","0.0007","16.6666","0.0012","10.1721","0.0007","90","","95.905","0.002","90","","1418.81","0.18","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 N7 O Pb S -","- C12 H9 N7 O Pb S -","- C48 H36 N28 O4 Pb4 S4 -","4","1","","Mahmoudi, Ghodrat; Garcia-Santos, Isabel; Fernández-Vázquez, Roi; Gomila, Rosa Maria; Castineiras, Alfonso; Doustkhah, Esmail; Zangrando, Ennio; Frontera, Antonio","Structural diversity and tetrel bonding significance in lead(II) complexes with pyrazoylisonicotinoylhydrazone and varied anionic co-ligands","CrystEngComm","2024","","","","","10.1039/D4CE00325J","","","0.71073","MoKα","","0.0293","0.0214","","","0.0422","0.0445","","","","","","1.032","","","","has coordinates","291262","2024-04-17","22:33:43",""
"7248439","7.1282","0.0003","16.9244","0.0006","12.1283","0.0005","90","","104.343","0.001","90","","1417.56","0.1","250","2","250","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 N7 O4 Pb -","- C11 H9 N7 O4 Pb -","- C44 H36 N28 O16 Pb4 -","4","1","","Mahmoudi, Ghodrat; Garcia-Santos, Isabel; Fernández-Vázquez, Roi; Gomila, Rosa Maria; Castineiras, Alfonso; Doustkhah, Esmail; Zangrando, Ennio; Frontera, Antonio","Structural diversity and tetrel bonding significance in lead(II) complexes with pyrazoylisonicotinoylhydrazone and varied anionic co-ligands","CrystEngComm","2024","","","","","10.1039/D4CE00325J","","","0.71073","MoKα","","0.0415","0.0341","","","0.0849","0.0883","","","","","","1.228","","","","has coordinates","291262","2024-04-17","22:33:44",""
"7248440","4.804","0.001","18.247","0.004","9.818","0.002","90","","104","0.03","90","","835.1","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(H2dobpdc)(GuaH)2","","- C16 H20 N6 O6 -","- C16 H20 N6 O6 -","- C32 H40 N12 O12 -","2","0.5","","Song, Jeong Hwa; Jeon, Byeong Hak; Kang, Dong Won","A highly stable hydrogen-bonded organic framework for hydrogen storage","CrystEngComm","2024","","","","","10.1039/D4CE00245H","","","0.7","","","0.0818","0.0806","","","0.2449","0.2481","","","","","","1.142","","","","has coordinates","291275","2024-04-18","22:45:43",""
"7248441","5.7433","0.0005","7.1269","0.0008","9.2269","0.0009","111.701","0.003","89.034","0.004","111.392","0.003","323.68","0.06","100","0.5","100","0.5","","","","","","","","2","P -1","-P 1","2","","","","- C10 F18 -","- C10 F18 -","- C10 F18 -","1","0.5","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","","","","","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0266","0.0259","","","0.0749","0.0757","","","","","","1.088","","","","has coordinates","291276","2024-04-18","22:47:20",""
"7248442","5.7891","0.0005","7.1855","0.0008","9.3","0.0009","111.813","0.003","89.307","0.004","111.525","0.003","330.64","0.06","200","0.5","200","0.5","","","","","","","","2","P -1","-P 1","2","","","","- C10 F18 -","- C10 F18 -","- C10 F18 -","1","0.5","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","","","","","10.1039/D3CE01117H","","","0.71073","MoKα","","0.029","0.028","","","0.0832","0.0848","","","","","","1.124","","","","has coordinates","291276","2024-04-18","22:47:21",""
"7248443","5.8708","0.0007","7.2213","0.0007","9.3736","0.0012","111.871","0.003","90.014","0.004","111.475","0.003","338.87","0.07","290","2","290","2","","","","","","","","2","P -1","-P 1","2","","trans-Perfluorodecalin","","- C10 F18 -","- C10 F18 -","- C10 F18 -","1","0.5","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","","","","","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0543","0.05","","","0.1375","0.1465","","","","","","1.147","","","","has coordinates","291276","2024-04-18","22:47:21",""
"7248444","5.7954","0.0003","7.1695","0.0003","9.3027","0.0005","111.803","0.0013","89.4664","0.0016","111.572","0.0015","330.1","0.03","200","2","200","2","","","","","","","","2","P -1","-P 1","2","","trans-Perfluorodecalin","","- C10 F18 -","- C10 F18 -","- C10 F18 -","1","0.5","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","","","","","10.1039/D3CE01117H","","","0.71073","MoKα","","0.037","0.0349","","","0.0974","0.1007","","","","","","1.147","","","","has coordinates","291276","2024-04-18","22:47:22",""
"7248445","5.7499","0.0003","7.1098","0.0003","9.2311","0.0005","111.689","0.0011","89.194","0.0014","111.435","0.0013","323.19","0.03","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","trans-Perfluorodecalin","","- C10 F18 -","- C10 F18 -","- C10 F18 -","1","0.5","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","","","","","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0321","0.0309","","","0.0864","0.0885","","","","","","1.077","","","","has coordinates","291276","2024-04-18","22:47:22",""
"7248446","5.94","0.002","7.257","0.002","9.19","0.002","111.733","0.01","89.911","0.01","113.546","0.009","332.33","0.17","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","trans-Perfluorodecalin (disordered, crystallized from cis-trans mixture)","","- C10 F18 -","- C10 F18 -","- C10 F18 -","1","0.5","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","","","","","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0977","0.0872","","","0.2249","0.2401","","","","","","1.047","","","","has coordinates,has disorder","291276","2024-04-18","22:47:22",""
"7248447","11.925","0.0015","8.2439","0.0011","17.812","0.003","90","","101.364","0.004","90","","1716.7","0.4","100","2","100","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (LT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","","","","","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0937","0.0886","","","0.1674","0.1698","","","","","","1.205","","","","has coordinates","291276","2024-04-18","22:47:22",""
"7248448","11.9439","0.0013","8.2503","0.0009","17.847","0.002","90","","101.343","0.003","90","","1724.3","0.3","120","2","120","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (LT form refined in moclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","","","","","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0784","0.0739","","","0.1461","0.1488","","","","","","1.185","","","","has coordinates","291276","2024-04-18","22:47:22",""
"7248449","5.267","0.0002","10.4832","0.0004","7.8148","0.0002","90","","90.8405","0.0013","90","","431.45","0.03","100","2","100","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","trans-Decalin","","- C10 H18 -","- C10 H18 -","- C20 H36 -","2","0.5","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","","","","","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0356","0.0341","","","0.0815","0.0828","","","","","","1.1","","","","has coordinates","291276","2024-04-18","22:47:23",""
"7248450","17.1772","0.001","6.2586","0.0002","13.1557","0.0007","90","","106.43","0.0015","90","","1356.56","0.12","100","2","100","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","cis-Perfluorodecalin","","- C10 F18 -","- C10 F18 -","- C40 F72 -","4","0.5","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","","","","","10.1039/D3CE01117H","","","0.71073","MoKα","","0.064","0.0501","","","0.1412","0.1741","","","","","","1.13","","","","has coordinates,has disorder","291276","2024-04-18","22:47:23",""
"7248451","11.9467","0.0012","8.2518","0.0009","17.853","0.002","90","","101.341","0.003","90","","1725.6","0.3","120","2","120","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (LT form refined in monclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","","","","","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0782","0.0738","","","0.1425","0.1448","","","","","","1.19","","","","has coordinates","291276","2024-04-18","22:47:23",""
"7248452","8.2665","0.0007","10.5488","0.0007","11.9705","0.001","113.55","0.002","90.196","0.003","112.709","0.002","867.25","0.12","120","2","120","2","","","","","","","","2","P -1","-P 1","2","","cis-Decalin (LT form refined in triclinic SG)","","- C10 H18 -","- C10 H18 -","- C40 H72 -","4","2","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","","","","","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0496","0.0427","","","0.095","0.1009","","","","","","1.072","","","","has coordinates","291276","2024-04-18","22:47:23",""
"7248453","6.0143","0.0018","7.3233","0.0019","9.274","0.002","111.955","0.009","90.006","0.009","113.796","0.008","341.11","0.16","230","2","230","2","","","","","","","","2","P -1","-P 1","2","","trans-Perfluorodecalin (disordered, crystallized from cis-trans mixture)","","- C10 F18 -","- C10 F18 -","- C10 F18 -","1","0.5","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","","","","","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0966","0.0744","","","0.1951","0.2282","","","","","","1.071","","","","has coordinates,has disorder","291276","2024-04-18","22:47:23",""
"7248454","8.2634","0.0009","10.5357","0.0009","11.9616","0.0012","113.547","0.003","90.218","0.003","112.694","0.003","865.27","0.15","110","2","110","2","","","","","","","","2","P -1","-P 1","2","","cis-Decalin (LT form refined in triclinic SG)","","- C10 H18 -","- C10 H18 -","- C40 H72 -","4","2","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","","","","","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0486","0.0411","","","0.0953","0.1028","","","","","","1.056","","","","has coordinates","291276","2024-04-18","22:47:23",""
"7248455","17.0062","0.0011","6.2091","0.0003","13.0007","0.0008","90","","105.502","0.0018","90","","1322.85","0.13","100","2","100","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","cis-Perfluorodecalin","","- C10 F18 -","- C9.99 F17.982 -","- C39.96 F71.928 -","4","0.5","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","","","","","10.1039/D3CE01117H","","","0.71073","MoKα","","0.053","0.0444","","","0.1091","0.1217","","","","","","1.144","","","","has coordinates,has disorder","291276","2024-04-18","22:47:23",""
"7248456","8.277","0.0004","10.5807","0.0004","11.9867","0.0005","113.506","0.0012","90.1279","0.0014","112.79","0.0012","872.11","0.07","140","2","140","2","","","","","","","","2","P -1","-P 1","2","","cis-Decalin (LT form refined in triclinic SG)","","- C10 H18 -","- C10 H18 -","- C40 H72 -","4","2","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","","","","","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0495","0.0417","","","0.1011","0.1084","","","","","","1.046","","","","has coordinates","291276","2024-04-18","22:47:23",""
"7248457","8.2635","0.0009","10.5367","0.0009","11.9622","0.0012","113.553","0.003","90.215","0.003","112.692","0.003","865.38","0.15","110","2","110","2","","","","","","","","2","P -1","-P 1","2","","cis-Decalin (LT form refined in triclinic SG)","","- C10 H18 -","- C10 H18 -","- C40 H72 -","4","2","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","","","","","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0496","0.0423","","","0.0965","0.1025","","","","","","1.061","","","","has coordinates","291276","2024-04-18","22:47:23",""
"7248458","8.2665","0.0007","10.5475","0.0007","11.9704","0.0009","113.554","0.002","90.201","0.003","112.704","0.002","867.12","0.12","120","2","120","2","","","","","","","","2","P -1","-P 1","2","","cis-Decalin (LT form refined in triclinic SG)","","- C10 H18 -","- C10 H18 -","- C40 H72 -","4","2","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","","","","","10.1039/D3CE01117H","","","0.71073","MoKα","","0.05","0.0422","","","0.0946","0.1021","","","","","","1.079","","","","has coordinates","291276","2024-04-18","22:47:23",""
"7248459","8.2775","0.0004","10.5829","0.0004","11.9879","0.0005","113.506","0.0011","90.1124","0.0013","112.805","0.0012","872.36","0.07","140","2","140","2","","","","","","","","2","P -1","-P 1","2","","cis-Decalin (LT form refined in triclinic SG)","","- C10 H18 -","- C10 H18 -","- C40 H72 -","4","2","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","","","","","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0505","0.0424","","","0.1036","0.1124","","","","","","1.066","","","","has coordinates,has disorder","291276","2024-04-18","22:47:24",""
"7248460","5.3191","0.0002","10.564","0.0004","7.858","0.0002","90","","90.7843","0.0014","90","","441.51","0.03","200","2","200","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","trans-Decalin","","- C10 H18 -","- C10 H18 -","- C20 H36 -","2","0.5","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","","","","","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0413","0.039","","","0.094","0.0963","","","","","","1.146","","","","has coordinates","291276","2024-04-18","22:47:24",""
"7248461","8.2602","0.0009","10.5243","0.0009","11.9532","0.0012","113.547","0.003","90.225","0.003","112.687","0.003","863.42","0.15","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","cis-Decalin (LT form refined in triclinic SG)","","- C10 H18 -","- C10 H18 -","- C40 H72 -","4","2","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","","","","","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0503","0.0423","","","0.0922","0.099","","","","","","1.053","","","","has coordinates","291276","2024-04-18","22:47:24",""
"7248462","11.9735","0.0007","8.2678","0.0005","17.9172","0.0012","90","","101.36","0.0017","90","","1738.95","0.19","140","2","140","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (LT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","","","","","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0549","0.0494","","","0.115","0.1198","","","","","","1.065","","","","has coordinates","291276","2024-04-18","22:47:24",""
"7248463","8.2823","0.0005","10.6037","0.0005","11.9909","0.0007","113.428","0.0016","90.0435","0.0019","112.888","0.0017","875.02","0.09","150","2","150","2","","","","","","","","2","P -1","-P 1","2","","cis-Decalin (HT form refined in triclinic SG)","","- C10 H18 -","- C10 H18 -","- C40 H72 -","4","2","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","","","","","10.1039/D3CE01117H","","","0.71073","MoKα","","0.05","0.0414","","","0.0978","0.1061","","","","","","1.027","","","","has coordinates,has disorder","291276","2024-04-18","22:47:24",""
"7248464","11.9376","0.0014","8.2488","0.001","17.833","0.002","90","","101.352","0.003","90","","1721.7","0.3","110","2","110","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (LT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","","","","","10.1039/D3CE01117H","","","0.71073","MoKα","","0.085","0.0806","","","0.1539","0.1561","","","","","","1.194","","","","has coordinates","291276","2024-04-18","22:47:24",""
"7248465","11.9334","0.0014","8.2466","0.001","17.828","0.002","90","","101.35","0.003","90","","1720.1","0.3","110","2","110","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (LT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","","","","","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0856","0.0816","","","0.159","0.1609","","","","","","1.198","","","","has coordinates","291276","2024-04-18","22:47:24",""
"7248466","11.9609","0.001","8.2593","0.0007","17.8832","0.0017","90","","101.342","0.002","90","","1732.2","0.3","132","2","132","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (LT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","","","","","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0675","0.0627","","","0.1283","0.1317","","","","","","1.17","","","","has coordinates","291276","2024-04-18","22:47:24",""
"7248467","11.9706","0.0008","8.2662","0.0006","17.9123","0.0013","90","","101.359","0.0018","90","","1737.7","0.2","140","2","140","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (LT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","","","","","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0561","0.0511","","","0.1157","0.1199","","","","","","1.089","","","","has coordinates","291276","2024-04-18","22:47:24",""
"7248468","8.2699","0.0007","10.5607","0.0007","11.9762","0.001","113.534","0.002","90.179","0.003","112.733","0.003","869","0.12","130","2","130","2","","","","","","","","2","P -1","-P 1","2","","cis-Decalin (LT form refined in triclinic SG)","","- C10 H18 -","- C10 H18 -","- C40 H72 -","4","2","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","","","","","10.1039/D3CE01117H","","","0.71073","MoKα","","0.048","0.0409","","","0.0937","0.1004","","","","","","1.044","","","","has coordinates","291276","2024-04-18","22:47:24",""
"7248469","8.2712","0.0006","10.5654","0.0005","11.9798","0.0008","113.539","0.0018","90.16","0.002","112.747","0.0018","869.69","0.1","130","2","130","2","","","","","","","","2","P -1","-P 1","2","","cis-Decalin (LT form refined in triclinic SG)","","- C10 H18 -","- C10 H18 -","- C40 H72 -","4","2","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","","","","","10.1039/D3CE01117H","","","0.71073","MoKα","","0.048","0.0406","","","0.0938","0.1003","","","","","","1.059","","","","has coordinates","291276","2024-04-18","22:47:24",""
"7248470","11.9553","0.0011","8.2563","0.0008","17.8738","0.0018","90","","101.343","0.003","90","","1729.8","0.3","130","2","130","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (LT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","","","","","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0688","0.0643","","","0.1311","0.1339","","","","","","1.168","","","","has coordinates","291276","2024-04-18","22:47:24",""
"7248471","11.9833","0.0005","8.277","0.0003","17.9669","0.0008","90","","101.402","0.001","90","","1746.89","0.12","150","2","150","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (HT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","","","","","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0459","0.0399","","","0.1014","0.1074","","","","","","1.056","","","","has coordinates,has disorder","291276","2024-04-18","22:47:24",""
"7248472","11.984","0.0005","8.2774","0.0003","17.9659","0.0008","90","","101.4","0.001","90","","1746.99","0.12","150","2","150","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (HT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","","","","","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0462","0.041","","","0.0959","0.1004","","","","","","1.037","","","","has coordinates,has disorder","291276","2024-04-18","22:47:24",""
"7248473","8.2827","0.0003","10.6032","0.0003","11.9913","0.0004","113.435","0.0008","90.043","0.0009","112.881","0.0008","875.04","0.05","150","2","150","2","","","","","","","","2","P -1","-P 1","2","","cis-Decalin (HT form refined in triclinic SG)","","- C10 H18 -","- C10 H18 -","- C40 H72 -","4","2","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","","","","","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0504","0.0422","","","0.0967","0.1043","","","","","","1.04","","","","has coordinates,has disorder","291276","2024-04-18","22:47:25",""
"7248474","11.9843","0.0004","8.2804","0.0003","18.0191","0.0006","90","","101.469","0.001","90","","1752.42","0.1","160","2","160","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (HT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","","","","","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0469","0.0412","","","0.0992","0.1052","","","","","","1.043","","","","has coordinates,has disorder","291276","2024-04-18","22:47:25",""
"7248475","8.2845","0.0003","10.6177","0.0003","11.989","0.0004","113.302","0.0008","90.0282","0.0009","112.879","0.0009","877.41","0.05","160","2","160","2","","","","","","","","2","P -1","-P 1","2","","cis-Decalin (HT form refined in triclinic SG)","","- C10 H18 -","- C10 H18 -","- C40 H72 -","4","2","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","","","","","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0506","0.0408","","","0.1014","0.1112","","","","","","1.053","","","","has coordinates,has disorder","291276","2024-04-18","22:47:25",""
"7248476","11.9832","0.0004","8.2803","0.0003","18.0209","0.0006","90","","101.473","0.001","90","","1752.39","0.1","160","2","160","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (HT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","","","","","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0461","0.0398","","","0.0993","0.1061","","","","","","1.045","","","","has coordinates,has disorder","291276","2024-04-18","22:47:25",""
"7248477","8.2855","0.0003","10.6479","0.0003","11.9802","0.0004","112.957","0.001","90.018","0.001","112.818","0.001","882.64","0.05","180","2","180","2","","","","","","","","2","P -1","-P 1","2","","cis-Decalin (HT form refined in triclinic SG)","","- C10 H18 -","- C10 H18 -","- C40 H72 -","4","2","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","","","","","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0604","0.0469","","","0.1125","0.1257","","","","","","1.038","","","","has coordinates,has disorder","291276","2024-04-18","22:47:25",""
"7248478","8.2838","0.0003","10.6169","0.0003","11.9887","0.0004","113.31","0.0008","90.025","0.001","112.879","0.0009","877.19","0.05","160","2","160","2","","","","","","","","2","P -1","-P 1","2","","cis-Decalin (HT form refined in triclinic SG)","","- C10 H18 -","- C10 H18 -","- C40 H72 -","4","2","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","","","","","10.1039/D3CE01117H","","","0.71073","MoKα","","0.051","0.042","","","0.1038","0.1137","","","","","","1.071","","","","has coordinates,has disorder","291276","2024-04-18","22:47:25",""
"7248479","11.9781","0.0004","8.2808","0.0003","18.0841","0.0007","90","","101.568","0.001","90","","1757.29","0.11","170","2","170","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (HT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","","","","","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0484","0.0409","","","0.1037","0.1111","","","","","","1.048","","","","has coordinates,has disorder","291276","2024-04-18","22:47:25",""
"7248480","8.2847","0.0003","10.6319","0.0003","11.9834","0.0004","113.132","0.0009","90.0204","0.001","112.854","0.0009","879.77","0.05","170","2","170","2","","","","","","","","2","P -1","-P 1","2","","cis-Decalin (HT form refined in triclinic SG)","","- C10 H18 -","- C10 H18 -","- C40 H72 -","4","2","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","","","","","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0565","0.045","","","0.1057","0.1164","","","","","","1.023","","","","has coordinates,has disorder","291276","2024-04-18","22:47:25",""
"7248481","8.2852","0.0003","10.6314","0.0003","11.9844","0.0004","113.141","0.0009","90.0216","0.001","112.856","0.0009","879.77","0.05","170","2","170","2","","","","","","","","2","P -1","-P 1","2","","cis-Decalin (HT form refined in triclinic SG)","","- C10 H18 -","- C10 H18 -","- C40 H72 -","4","2","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","","","","","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0551","0.0442","","","0.1074","0.1194","","","","","","1.055","","","","has coordinates,has disorder","291276","2024-04-18","22:47:25",""
"7248482","8.2862","0.0003","10.6476","0.0003","11.9806","0.0004","112.961","0.0009","90.022","0.001","112.819","0.001","882.66","0.05","180","2","180","2","","","","","","","","2","P -1","-P 1","2","","cis-Decalin (HT form refined in triclinic SG)","","- C10 H18 -","- C10 H18 -","- C40 H72 -","4","2","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","","","","","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0605","0.0473","","","0.1143","0.1286","","","","","","1.051","","","","has coordinates,has disorder","291276","2024-04-18","22:47:25",""
"7248483","11.9739","0.0004","8.2807","0.0003","18.1504","0.0007","90","","101.666","0.001","90","","1762.48","0.11","180","2","180","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (HT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","","","","","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0504","0.0419","","","0.1046","0.1135","","","","","","1.051","","","","has coordinates,has disorder","291276","2024-04-18","22:47:25",""
"7248484","11.9791","0.0004","8.2813","0.0003","18.0809","0.0007","90","","101.564","0.001","90","","1757.26","0.11","170","2","170","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (HT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","","","","","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0477","0.0412","","","0.1007","0.1083","","","","","","1.044","","","","has coordinates,has disorder","291276","2024-04-18","22:47:25",""
"7248485","8.286","0.0007","10.6634","0.0007","11.9779","0.0009","112.795","0.002","90.023","0.002","112.784","0.002","885.34","0.12","190","2","190","2","","","","","","","","2","P -1","-P 1","2","","cis-Decalin (HT form refined in triclinic SG)","","- C10 H18 -","- C10 H18 -","- C40 H72 -","4","2","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","","","","","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0635","0.0493","","","0.1195","0.1341","","","","","","1.055","","","","has coordinates,has disorder","291276","2024-04-18","22:47:25",""
"7248486","8.2873","0.0004","10.7178","0.0003","11.9719","0.0005","112.29","0.0011","90.0213","0.0012","112.663","0.0012","894.47","0.06","220","2","220","2","","","","","","","","2","P -1","-P 1","2","","cis-Decalin (HT form refined in triclinic SG)","","- C10 H18 -","- C10 H18 -","- C40 H72 -","4","2","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","","","","","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0778","0.0555","","","0.1333","0.1576","","","","","","1.046","","","","has coordinates,has disorder","291276","2024-04-18","22:47:25",""
"7248487","11.9678","0.0005","8.2815","0.0004","18.3482","0.0009","90","","101.921","0.0012","90","","1779.3","0.14","210","2","210","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (HT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","","","","","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0583","0.046","","","0.1144","0.1281","","","","","","1.079","","","","has coordinates,has disorder","291276","2024-04-18","22:47:25",""
"7248488","11.9719","0.0005","8.2815","0.0003","18.2151","0.0008","90","","101.755","0.0011","90","","1768.06","0.13","190","2","190","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (HT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","","","","","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0519","0.0433","","","0.1051","0.1134","","","","","","1.051","","","","has coordinates,has disorder","291276","2024-04-18","22:47:25",""
"7248489","8.2864","0.0007","10.6979","0.0007","11.9743","0.001","112.477","0.002","90.024","0.003","112.708","0.003","891.07","0.12","210","2","210","2","","","","","","","","2","P -1","-P 1","2","","cis-Decalin (HT form refined in triclinic SG)","","- C10 H18 -","- C10 H18 -","- C40 H72 -","4","2","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","","","","","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0716","0.0536","","","0.1342","0.1557","","","","","","1.075","","","","has coordinates,has disorder","291276","2024-04-18","22:47:25",""
"7248490","11.9744","0.0004","8.2815","0.0003","18.1491","0.0007","90","","101.664","0.001","90","","1762.61","0.11","180","2","180","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (HT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","","","","","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0507","0.0429","","","0.1061","0.1144","","","","","","1.056","","","","has coordinates,has disorder","291276","2024-04-18","22:47:25",""
"7248491","11.9701","0.0005","8.2817","0.0004","18.2789","0.0009","90","","101.838","0.0012","90","","1773.5","0.14","200","2","200","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (HT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","","","","","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0557","0.0457","","","0.11","0.1195","","","","","","1.087","","","","has coordinates,has disorder","291276","2024-04-18","22:47:25",""
"7248492","8.2858","0.0004","10.6794","0.0003","11.9757","0.0005","112.64","0.0011","90.0236","0.0012","112.75","0.0012","887.97","0.06","200","2","200","2","","","","","","","","2","P -1","-P 1","2","","cis-Decalin (HT form refined in triclinic SG)","","- C10 H18 -","- C10 H18 -","- C40 H72 -","4","2","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","","","","","10.1039/D3CE01117H","","","0.71073","MoKα","","0.068","0.0519","","","0.1233","0.1393","","","","","","1.076","","","","has coordinates,has disorder","291276","2024-04-18","22:47:25",""
"7248493","11.9659","0.0005","8.2828","0.0004","18.427","0.0009","90","","102.019","0.0012","90","","1786.28","0.14","220","2","220","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (HT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","","","","","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0628","0.0477","","","0.1119","0.1258","","","","","","1.024","","","","has coordinates,has disorder","291276","2024-04-18","22:47:25",""
"7248497","4.7256","0.0003","16.4363","0.0011","9.9536","0.0006","90","","91.715","0.006","90","","772.76","0.09","100","2","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H6 F6 N4 O2 -","- C16 H6 F6 N4 O2 -","- C32 H12 F12 N8 O4 -","2","0.5","","Yi, Heng; Zhou, Mu-Yang; Ye, Le; Lu, Xiao-Tong; Zhou, Dong-Dong; Zhang, Jie-Peng","A stable metal azolate framework with rare nonintersecting one-/two-dimensional pore channels","CrystEngComm","2024","","","","","10.1039/D4CE00318G","","","1.54184","CuKα","","0.0864","0.0788","","","0.1939","0.1991","","","","","","1.045","","","","has coordinates","291320","2024-04-22","23:04:32",""
"7248498","26.1617","0.0004","26.1617","0.0004","16.6663","0.0003","90","","90","","120","","9878.7","0.3","250","2","250.15","","","","","","","","","6","P 63/m c m","-P 6c 2","193","MAF-50","","","- C18 H8 F6 N4 O5 Zn2 -","- C18 H8 F6 N4 O5 Zn2 -","- C216 H96 F72 N48 O60 Zn24 -","12","0.5","","Yi, Heng; Zhou, Mu-Yang; Ye, Le; Lu, Xiao-Tong; Zhou, Dong-Dong; Zhang, Jie-Peng","A stable metal azolate framework with rare nonintersecting one-/two-dimensional pore channels","CrystEngComm","2024","","","","","10.1039/D4CE00318G","","","1.54184","CuKα","","0.1015","0.0891","","","0.2478","0.2666","","","","","","1.025","","","","has coordinates,has disorder","291320","2024-04-22","23:04:33",""
"7248499","13.7521","0.0002","22.0007","0.0003","13.9604","0.0002","90","","105.595","0.002","90","","4068.31","0.11","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H37 O4 P S -","- C16 H37 O4 P S -","- C128 H296 O32 P8 S8 -","8","2","","Gawraczynski, Jakub; Leszczynski, Piotr J.; Cyranski, Michal Ksawery; Dobrzycki, Łukasz; Koźmiński, Wiktor; Fijalkowski, Karol J.; Grochala, Wojciech; Jaroń, Tomasz","Synthesis and structural trends in a series of simple tetraalkylphosphonium salts","CrystEngComm","2024","","","","","10.1039/D4CE00210E","","x-ray","1.54184","CuKα","","0.071","0.063","","","0.1532","0.1594","","","","","","1.0448","","","","has coordinates,has disorder","291322","2024-04-22","23:07:13",""
"7248500","7.62801","0.00013","7.62801","0.00013","11.63","0.0003","90","","90","","90","","676.71","0.02","295","","295","","","","","","","","","5","P 42/n m c :1","P 4n 2n -1n","137","","","","- C8 H24 O4 P2 S -","- C8 H24 O4 P2 S -","- C16 H48 O8 P4 S2 -","2","0.125","","Gawraczynski, Jakub; Leszczynski, Piotr J.; Cyranski, Michal Ksawery; Dobrzycki, Łukasz; Koźmiński, Wiktor; Fijalkowski, Karol J.; Grochala, Wojciech; Jaroń, Tomasz","Synthesis and structural trends in a series of simple tetraalkylphosphonium salts","CrystEngComm","2024","","","","","10.1039/D4CE00210E","powder diffraction","x-ray","1.79031","CoKα","","0.0387","0.0349","","0.0428","0.0423","","","","1.67","","","","","","","has coordinates","291322","2024-04-22","23:07:14",""
"7248501","9.1506","0.0009","14.1196","0.0014","9.8428","0.001","90","","90.112","0.008","90","","1271.7","0.2","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H21 O4 P S -","- C8 H21 O4 P S -","- C32 H84 O16 P4 S4 -","4","1","","Gawraczynski, Jakub; Leszczynski, Piotr J.; Cyranski, Michal Ksawery; Dobrzycki, Łukasz; Koźmiński, Wiktor; Fijalkowski, Karol J.; Grochala, Wojciech; Jaroń, Tomasz","Synthesis and structural trends in a series of simple tetraalkylphosphonium salts","CrystEngComm","2024","","","","","10.1039/D4CE00210E","powder diffraction","x-ray","1.79031","CoKα","","0.055","0.0488","","0.0452","0.0444","","","","2.6088","","","","","","","has coordinates","291322","2024-04-22","23:07:15",""
"7248502","8.2712","0.0007","9.0723","0.0005","9.5156","0.0005","91.535","0.005","108.541","0.007","113.825","0.007","609.29","0.09","99.9","0.3","99.9","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C8 H21 O4 P S -","- C8 H21 O4 P S -","- C16 H42 O8 P2 S2 -","2","1","","Gawraczynski, Jakub; Leszczynski, Piotr J.; Cyranski, Michal Ksawery; Dobrzycki, Łukasz; Koźmiński, Wiktor; Fijalkowski, Karol J.; Grochala, Wojciech; Jaroń, Tomasz","Synthesis and structural trends in a series of simple tetraalkylphosphonium salts","CrystEngComm","2024","","","","","10.1039/D4CE00210E","","x-ray","1.54184","CuKα","","0.08","0.0448","","","0.236","0.117","","","","","","1.0145","","","","has coordinates","291322","2024-04-22","23:07:15",""
"7248503","9.2928","0.0002","11.3811","0.0002","20.3088","0.0004","90","","96.149","0.002","90","","2135.55","0.07","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetrabutylphosphonium sulfate","","- C16 H40 O4 P2 S -","- C16 H40 O4 P2 S -","- C64 H160 O16 P8 S4 -","4","1","","Gawraczynski, Jakub; Leszczynski, Piotr J.; Cyranski, Michal Ksawery; Dobrzycki, Łukasz; Koźmiński, Wiktor; Fijalkowski, Karol J.; Grochala, Wojciech; Jaroń, Tomasz","Synthesis and structural trends in a series of simple tetraalkylphosphonium salts","CrystEngComm","2024","","","","","10.1039/D4CE00210E","","x-ray","1.54184","CuKα","","0.0373","0.0324","","","0.0814","0.0829","","","","","","1.0313","","","","has coordinates,has disorder","291322","2024-04-22","23:07:15",""
"7248504","9.2417","0.0002","7.2041","0.0001","26.6728","0.0005","90","","96.924","0.002","90","","1762.87","0.06","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H13 O4 P S -","- C4 H13 O4 P S -","- C32 H104 O32 P8 S8 -","8","2","","Gawraczynski, Jakub; Leszczynski, Piotr J.; Cyranski, Michal Ksawery; Dobrzycki, Łukasz; Koźmiński, Wiktor; Fijalkowski, Karol J.; Grochala, Wojciech; Jaroń, Tomasz","Synthesis and structural trends in a series of simple tetraalkylphosphonium salts","CrystEngComm","2024","","","","","10.1039/D4CE00210E","","x-ray","1.54184","CuKα","","0.0461","0.0345","","","0.0928","0.1025","","","","","","1.0326","","","","has coordinates","291322","2024-04-22","23:07:15",""
"7248505","14.0628","0.0003","14.5829","0.0004","21.8594","0.0006","90","","99.451","0.002","90","","4422","0.2","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H42 O5 P2 S -","- C16 H42 O5 P2 S -","- C128 H336 O40 P16 S8 -","8","2","","Gawraczynski, Jakub; Leszczynski, Piotr J.; Cyranski, Michal Ksawery; Dobrzycki, Łukasz; Koźmiński, Wiktor; Fijalkowski, Karol J.; Grochala, Wojciech; Jaroń, Tomasz","Synthesis and structural trends in a series of simple tetraalkylphosphonium salts","CrystEngComm","2024","","","","","10.1039/D4CE00210E","","x-ray","1.54184","CuKα","","0.1044","0.0809","","","0.174","0.1892","","","","","","1.064","","","","has coordinates,has disorder","291322","2024-04-22","23:07:16",""
"7248506","13.4285","0.0002","13.4285","0.0002","9.4154","0.0002","90","","90","","90","","1697.83","0.05","100","0.1","100","0.1","","","","","","","","6","I -4","I -4","82","","","","- C20 H12 Al F36 O4 P -","- C20 H12 Al F36 O4 P -","- C40 H24 Al2 F72 O8 P2 -","2","0.25","","Gawraczynski, Jakub; Leszczynski, Piotr J.; Cyranski, Michal Ksawery; Dobrzycki, Łukasz; Koźmiński, Wiktor; Fijalkowski, Karol J.; Grochala, Wojciech; Jaroń, Tomasz","Synthesis and structural trends in a series of simple tetraalkylphosphonium salts","CrystEngComm","2024","","","","","10.1039/D4CE00210E","","x-ray","1.54184","CuKα","","0.0374","0.037","","","0.0999","0.1003","","","","","","1.0428","","","","has coordinates","291322","2024-04-22","23:07:16",""
"7248507","14.5323","0.0006","14.5323","0.0006","28.7233","0.0014","90","","90","","120","","5253.3","0.4","295","","295","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C8 H20 Br P -","- C8 H20 Br P -","- C144 H360 Br18 P18 -","18","0.5","","Gawraczynski, Jakub; Leszczynski, Piotr J.; Cyranski, Michal Ksawery; Dobrzycki, Łukasz; Koźmiński, Wiktor; Fijalkowski, Karol J.; Grochala, Wojciech; Jaroń, Tomasz","Synthesis and structural trends in a series of simple tetraalkylphosphonium salts","CrystEngComm","2024","","","","","10.1039/D4CE00210E","powder diffraction","x-ray","1.78892","CoKα","","0.0675","0.0616","","0.0744","0.0736","","","","3.8867","","","","","","","has coordinates","291322","2024-04-22","23:07:16",""
"7248508","21.3719","0.0001","12.2556","0.0001","17.2118","0.0001","90","","90","","90","","4508.21","0.05","99.99","0.1","99.99","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H20 Ag2 Br3 P -","- C8 H20 Ag2 Br3 P -","- C96 H240 Ag24 Br36 P12 -","12","1.5","","Gawraczynski, Jakub; Leszczynski, Piotr J.; Cyranski, Michal Ksawery; Dobrzycki, Łukasz; Koźmiński, Wiktor; Fijalkowski, Karol J.; Grochala, Wojciech; Jaroń, Tomasz","Synthesis and structural trends in a series of simple tetraalkylphosphonium salts","CrystEngComm","2024","","","","","10.1039/D4CE00210E","","x-ray","1.54184","CuKα","","0.03","0.0296","","","0.0862","0.0866","","","","","","1.0433","","","","has coordinates,has disorder","291322","2024-04-22","23:07:16",""
"7248509","7.02188","0.00005","7.02188","0.00005","10.03217","0.00012","90","","90","","120","","428.383","0.007","295","","295","","","","","","","","","4","P 63 m c","P 6c -2c","186","","","","- C4 H12 Br P -","- C4 H12 Br P -","- C8 H24 Br2 P2 -","2","0.166667","","Gawraczynski, Jakub; Leszczynski, Piotr J.; Cyranski, Michal Ksawery; Dobrzycki, Łukasz; Koźmiński, Wiktor; Fijalkowski, Karol J.; Grochala, Wojciech; Jaroń, Tomasz","Synthesis and structural trends in a series of simple tetraalkylphosphonium salts","CrystEngComm","2024","","","","","10.1039/D4CE00210E","powder diffraction","x-ray","1.78892","CoKα","","0.0172","0.0162","","0.0192","0.0191","","","","1.6492","","","","","","","has coordinates","291322","2024-04-22","23:07:16",""
"7248510","11.911","0.004","7.52","0.003","12.479","0.005","90","","117.134","0.009","90","","994.7","0.7","298","","298","","","","","","","","","5","P 1 21 1","P 2yb","4","","of 2,3-bis(5-iodo-2-methylthiophen-3-yl)naphthalene-1,4-dione","","- C20 H12 I2 O2 S2 -","- C20 H12 I2 O2 S2 -","- C40 H24 I4 O4 S4 -","2","1","","Myers, Shea D.; Marr, Zoe Y.; Sency, Jade A.; Mitchell, Travis B.; Benedict, Jason B.; Patel, Dinesh G.","Crystallographic, spectroscopic, and computational characterization of a diiodonaphthoquinone diarylethene photochrome: halogen bonding and photocrystallography","CrystEngComm","2024","","","","","10.1039/D4CE00112E","","","0.71073","MoKα","","0.1261","0.052","","","0.1111","0.1358","","","","","","0.99","","","","has coordinates,has disorder","291336","2024-04-23","22:32:55",""
"7248511","11.9319","0.001","7.4644","0.0006","12.4586","0.001","90","","117.024","0.002","90","","988.47","0.14","296.15","","298","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H12 I2 O2 S2 -","- C20 H12 I2 O2 S2 -","- C40 H24 I4 O4 S4 -","2","1","","Myers, Shea D.; Marr, Zoe Y.; Sency, Jade A.; Mitchell, Travis B.; Benedict, Jason B.; Patel, Dinesh G.","Crystallographic, spectroscopic, and computational characterization of a diiodonaphthoquinone diarylethene photochrome: halogen bonding and photocrystallography","CrystEngComm","2024","","","","","10.1039/D4CE00112E","","","0.71073","MoKα","","0.0768","0.0432","","","0.1184","0.1317","","","","","","1.106","","","","has coordinates","291336","2024-04-23","22:32:56",""
"7248523","17.3426","0.0003","9.3673","0.0001","15.5652","0.0003","90","","110.316","0.002","90","","2371.32","0.07","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Ce O12 -","- C24 H24 Ce O12 -","- C96 H96 Ce4 O48 -","4","1","","Guan, Ming-Xue; Li, Hui-Zi; Li, Shangda; Yang, Han-Jiang; Wang, Fei; Zhang, Jian","Syntheses, crystal structures and properties of a series of isostructural Lanthanide Organic Frameworks","CrystEngComm","2024","","","","","10.1039/D4CE00292J","","x-ray","1.3405","GaKα","","0.0366","0.0298","","","0.0725","0.0757","","","","","","1.046","","","","has coordinates","291348","2024-04-24","22:50:55",""
"7248524","17.2951","0.0005","9.2984","0.0002","15.4981","0.0004","90","","111.988","0.003","90","","2311.07","0.11","297.03","0.1","297.03","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Gd O12 -","- C24 H24 Gd O12 -","- C96 H96 Gd4 O48 -","4","1","","Guan, Ming-Xue; Li, Hui-Zi; Li, Shangda; Yang, Han-Jiang; Wang, Fei; Zhang, Jian","Syntheses, crystal structures and properties of a series of isostructural Lanthanide Organic Frameworks","CrystEngComm","2024","","","","","10.1039/D4CE00292J","","x-ray","0.71073","MoKα","","0.0441","0.0305","","","0.0655","0.071","","","","","","1.06","","","","has coordinates","291348","2024-04-24","22:50:56",""
"7248525","17.4448","0.0004","9.2686","0.0002","15.5561","0.0005","90","","112.084","0.003","90","","2330.71","0.12","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 O12 Pr -","- C24 H24 O12 Pr -","- C96 H96 O48 Pr4 -","4","1","","Guan, Ming-Xue; Li, Hui-Zi; Li, Shangda; Yang, Han-Jiang; Wang, Fei; Zhang, Jian","Syntheses, crystal structures and properties of a series of isostructural Lanthanide Organic Frameworks","CrystEngComm","2024","","","","","10.1039/D4CE00292J","","x-ray","0.71073","MoKα","","0.0397","0.0325","","","0.0829","0.0872","","","","","","1.028","","","","has coordinates","291348","2024-04-24","22:50:56",""
"7248526","17.2906","0.0007","9.2222","0.0002","15.3769","0.0006","90","","112.651","0.004","90","","2262.83","0.15","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Dy O12 -","- C24 H24 Dy O12 -","- C96 H96 Dy4 O48 -","4","1","","Guan, Ming-Xue; Li, Hui-Zi; Li, Shangda; Yang, Han-Jiang; Wang, Fei; Zhang, Jian","Syntheses, crystal structures and properties of a series of isostructural Lanthanide Organic Frameworks","CrystEngComm","2024","","","","","10.1039/D4CE00292J","","x-ray","0.71073","MoKα","","0.0355","0.0262","","","0.0599","0.0644","","","","","","1.038","","","","has coordinates","291348","2024-04-24","22:50:56",""
"7248527","17.3235","0.0007","9.227","0.0003","15.4275","0.0006","90","","112.661","0.005","90","","2275.62","0.17","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 O12 Tb -","- C24 H24 O12 Tb -","- C96 H96 O48 Tb4 -","4","1","","Guan, Ming-Xue; Li, Hui-Zi; Li, Shangda; Yang, Han-Jiang; Wang, Fei; Zhang, Jian","Syntheses, crystal structures and properties of a series of isostructural Lanthanide Organic Frameworks","CrystEngComm","2024","","","","","10.1039/D4CE00292J","","x-ray","0.71073","MoKα","","0.039","0.0263","","","0.0555","0.0583","","","","","","1.051","","","","has coordinates","291348","2024-04-24","22:50:56",""
"7248528","17.4259","0.0003","9.2729","0.0001","15.48","0.0003","90","","112.308","0.002","90","","2314.18","0.07","100","0.3","100","0.3","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Nd O12 -","- C24 H24 Nd O12 -","- C96 H96 Nd4 O48 -","4","1","","Guan, Ming-Xue; Li, Hui-Zi; Li, Shangda; Yang, Han-Jiang; Wang, Fei; Zhang, Jian","Syntheses, crystal structures and properties of a series of isostructural Lanthanide Organic Frameworks","CrystEngComm","2024","","","","","10.1039/D4CE00292J","","x-ray","1.3405","GaKα","","0.0418","0.0382","","","0.1051","0.1081","","","","","","0.997","","","","has coordinates","291348","2024-04-24","22:50:56",""
"7248529","17.2995","0.0003","9.3193","0.0001","15.4902","0.0002","90","","111.9","0.002","90","","2317.1","0.06","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Eu O12 -","- C24 H24 Eu O12 -","- C96 H96 Eu4 O48 -","4","1","","Guan, Ming-Xue; Li, Hui-Zi; Li, Shangda; Yang, Han-Jiang; Wang, Fei; Zhang, Jian","Syntheses, crystal structures and properties of a series of isostructural Lanthanide Organic Frameworks","CrystEngComm","2024","","","","","10.1039/D4CE00292J","","x-ray","1.3405","GaKα","","0.0397","0.0337","","","0.0873","0.0899","","","","","","1.121","","","","has coordinates","291348","2024-04-24","22:50:56",""
"7248530","17.2512","0.0004","9.2096","0.0002","15.3351","0.0004","90","","112.636","0.003","90","","2248.71","0.1","100","0.4","100","0.4","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Ho O12 -","- C24 H24 Ho O12 -","- C96 H96 Ho4 O48 -","4","1","","Guan, Ming-Xue; Li, Hui-Zi; Li, Shangda; Yang, Han-Jiang; Wang, Fei; Zhang, Jian","Syntheses, crystal structures and properties of a series of isostructural Lanthanide Organic Frameworks","CrystEngComm","2024","","","","","10.1039/D4CE00292J","","x-ray","1.3405","GaKα","","0.0486","0.0409","","","0.113","0.1192","","","","","","1.035","","","","has coordinates","291348","2024-04-24","22:50:56",""
"7248531","17.3836","0.0003","9.244","0.0001","15.4813","0.0003","90","","112.62","0.002","90","","2296.38","0.07","100","0.2","100","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 O12 Sm -","- C24 H24 O12 Sm -","- C96 H96 O48 Sm4 -","4","1","","Guan, Ming-Xue; Li, Hui-Zi; Li, Shangda; Yang, Han-Jiang; Wang, Fei; Zhang, Jian","Syntheses, crystal structures and properties of a series of isostructural Lanthanide Organic Frameworks","CrystEngComm","2024","","","","","10.1039/D4CE00292J","","x-ray","1.3405","GaKα","","0.0353","0.0277","","","0.066","0.0693","","","","","","1.035","","","","has coordinates","291348","2024-04-24","22:50:56",""
"7248532","18.4944","0.0008","23.2557","0.0011","5.4935","0.0002","90","","90","","90","","2362.76","0.17","170","","170","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C26 H33 N O8 -","- C26 H33 N O8 -","- C104 H132 N4 O32 -","4","1","","Tian, Fanyu; Xia, Mengyuan; Wang, Hao; Zhang, Bingrui; Ding, Zhenfeng; Rong, Xiaoyi; Zhu, Bingqing; Mei, Xuefeng","New Solid Forms of Tetrahydrocurcumin with Improved Solubility","CrystEngComm","2024","","","","","10.1039/D4CE00259H","","","0.71073","MoKα","","0.0909","0.0516","","","0.1026","0.1215","","","","","","1.081","","","","has coordinates","291353","2024-04-25","22:29:47",""
"7248533","13.421","0.005","6.843","0.003","14.762","0.004","90","","101.98","0.012","90","","1326.2","0.8","170","","170","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C31 H32 N2 O6 -","- C31 H32 N2 O6 -","- C62 H64 N4 O12 -","2","0.5","","Tian, Fanyu; Xia, Mengyuan; Wang, Hao; Zhang, Bingrui; Ding, Zhenfeng; Rong, Xiaoyi; Zhu, Bingqing; Mei, Xuefeng","New Solid Forms of Tetrahydrocurcumin with Improved Solubility","CrystEngComm","2024","","","","","10.1039/D4CE00259H","","","0.71073","MoKα","","0.1214","0.0719","","","0.1621","0.1985","","","","","","1.063","","","","has coordinates,has disorder","291353","2024-04-25","22:29:49",""
"7248534","18.37","0.004","23.19","0.008","5.466","0.0016","90","","90","","90","","2328.5","1.2","100","","100","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C26 H33 N O8 -","- C26 H33 N O8 -","- C104 H132 N4 O32 -","4","1","","Tian, Fanyu; Xia, Mengyuan; Wang, Hao; Zhang, Bingrui; Ding, Zhenfeng; Rong, Xiaoyi; Zhu, Bingqing; Mei, Xuefeng","New Solid Forms of Tetrahydrocurcumin with Improved Solubility","CrystEngComm","2024","","","","","10.1039/D4CE00259H","","","0.71073","MoKα","","0.1097","0.0657","","","0.1361","0.1592","","","","","","1.06","","","","has coordinates","291353","2024-04-25","22:29:49",""
"7248535","20.106","0.004","5.4996","0.001","23.399","0.005","90","","114.231","0.005","90","","2359.4","0.8","170","","170","","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C26 H33 N O8 -","- C26 H33 N O8 -","- C104 H132 N4 O32 -","4","1","","Tian, Fanyu; Xia, Mengyuan; Wang, Hao; Zhang, Bingrui; Ding, Zhenfeng; Rong, Xiaoyi; Zhu, Bingqing; Mei, Xuefeng","New Solid Forms of Tetrahydrocurcumin with Improved Solubility","CrystEngComm","2024","","","","","10.1039/D4CE00259H","","","0.71073","MoKα","","0.1541","0.0993","","","0.1837","0.2087","","","","","","1.09","","","","has coordinates,has disorder","291353","2024-04-25","22:29:49",""
"7248536","15.254","0.003","7.9952","0.0014","20.5","0.003","90","","96.512","0.005","90","","2484","0.7","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H35 N O8 -","- C26 H35 N O8 -","- C104 H140 N4 O32 -","4","1","","Tian, Fanyu; Xia, Mengyuan; Wang, Hao; Zhang, Bingrui; Ding, Zhenfeng; Rong, Xiaoyi; Zhu, Bingqing; Mei, Xuefeng","New Solid Forms of Tetrahydrocurcumin with Improved Solubility","CrystEngComm","2024","","","","","10.1039/D4CE00259H","","","0.71073","MoKα","","0.1791","0.0871","","","0.1623","0.2048","","","","","","1.039","","","","has coordinates","291353","2024-04-25","22:29:49",""
"7248545","7.6976","0.0005","7.8986","0.0005","10.982","0.0007","108.974","0.003","90.541","0.003","114.662","0.003","565.59","0.07","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 Co N6 O8 -","- C24 H20 Co N6 O8 -","- C24 H20 Co N6 O8 -","1","0.5","","Paul, Anup; Gusmão, Filipe; Mahmoud, Abdallah G.; Hazra, Susanta; Rakočević, Lazar; Sljukic, Biljana; Khan, Rais Ahmad; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.","Catalyzing Towards Clean Energy: Tuning Oxygen Evolution Reaction by Amide-Functionalized Co(II) and Ni(II) Pristine Coordination Polymers","CrystEngComm","2024","","","","","10.1039/D4CE00179F","","","0.71073","MoKα","","0.0238","0.0218","","","0.0574","0.0588","","","","","","1.118","","","","has coordinates","291369","2024-04-26","22:31:42",""
"7248546","7.6921","0.0002","7.8232","0.0002","10.9612","0.0003","108.519","0.001","90.398","0.001","114.647","0.001","560.99","0.03","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 N6 Ni O8 -","- C24 H20 N6 Ni O8 -","- C24 H20 N6 Ni O8 -","1","0.5","","Paul, Anup; Gusmão, Filipe; Mahmoud, Abdallah G.; Hazra, Susanta; Rakočević, Lazar; Sljukic, Biljana; Khan, Rais Ahmad; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.","Catalyzing Towards Clean Energy: Tuning Oxygen Evolution Reaction by Amide-Functionalized Co(II) and Ni(II) Pristine Coordination Polymers","CrystEngComm","2024","","","","","10.1039/D4CE00179F","","","0.71073","MoKα","","0.0289","0.0241","","","0.0614","0.0637","","","","","","1.063","","","","has coordinates","291369","2024-04-26","22:31:44",""
"7248551","8.7312","0.0002","9.7117","0.0002","9.9811","0.0002","116.628","0.002","99.297","0.002","100.912","0.002","713.03","0.03","113.15","","113.15","","","","","","","","","4","P -1","-P 1","2","","Dimethyl 4-aminoisophthalate, 1,2,4,5-tetracyanobenzene","","- C15 H12 N3 O4 -","- C15 H12 N3 O4 -","- C30 H24 N6 O8 -","2","1","","Zhang, Xiaokai; Li, Zhonghua; Han, Rui; Lin, Jiawei; Li, Maolin; Zhou, Jianmin; Wu, Songgu; Gong, Junbo","Modulation of Luminescent Properties of Cocrystals Composed of Amino Substituted Dimethyl Phthalates and 1,2,4,5-Tetracyanobenzene by Crystal Engineering","CrystEngComm","2024","","","","","10.1039/D4CE00218K","","x-ray","0.71073","MoKα","","0.0573","0.049","","","0.1337","0.1414","","","","","","1.075","","","","has coordinates","291409","2024-04-29","22:40:08",""
"7248552","10.0548","0.0005","7.1932","0.0004","14.2783","0.0008","90","","108.473","0.005","90","","979.48","0.1","113.15","","113.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 N O4 -","- C10 H11 N O4 -","- C40 H44 N4 O16 -","4","1","","Zhang, Xiaokai; Li, Zhonghua; Han, Rui; Lin, Jiawei; Li, Maolin; Zhou, Jianmin; Wu, Songgu; Gong, Junbo","Modulation of Luminescent Properties of Cocrystals Composed of Amino Substituted Dimethyl Phthalates and 1,2,4,5-Tetracyanobenzene by Crystal Engineering","CrystEngComm","2024","","","","","10.1039/D4CE00218K","","x-ray","0.71073","MoKα","","0.0755","0.0558","","","0.1475","0.1628","","","","","","1.041","","","","has coordinates","291409","2024-04-29","22:40:09",""
"7248553","6.5102","0.0002","7.1433","0.0002","9.9181","0.0002","95.079","0.002","90.432","0.002","97.825","0.002","455.06","0.02","119.99","0.1","119.99","0.1","","","","","","","","4","P 1","P 1","1","","Dimethyl aminoterephthalate, 1,2,4,5-tetracyanobenzene","","- C20 H13 N5 O4 -","- C20 H13 N5 O4 -","- C20 H13 N5 O4 -","1","1","","Zhang, Xiaokai; Li, Zhonghua; Han, Rui; Lin, Jiawei; Li, Maolin; Zhou, Jianmin; Wu, Songgu; Gong, Junbo","Modulation of Luminescent Properties of Cocrystals Composed of Amino Substituted Dimethyl Phthalates and 1,2,4,5-Tetracyanobenzene by Crystal Engineering","CrystEngComm","2024","","","","","10.1039/D4CE00218K","","x-ray","0.71073","MoKα","","0.0459","0.0386","","","0.0929","0.0983","","","","","","1.051","","","","has coordinates,has disorder","291409","2024-04-29","22:40:09",""
"7248554","6.7011","0.0002","9.6663","0.0002","11.8016","0.0003","100.928","0.002","98.038","0.002","106.164","0.002","705.72","0.03","113.15","","113.15","","","","","","","","","4","P -1","-P 1","2","","Dimethyl aminoterephthalate,1,2,4,5-tetracyanobenzene","","- C30 H24 N6 O8 -","- C30 H24 N6 O8 -","- C30 H24 N6 O8 -","1","0.5","","Zhang, Xiaokai; Li, Zhonghua; Han, Rui; Lin, Jiawei; Li, Maolin; Zhou, Jianmin; Wu, Songgu; Gong, Junbo","Modulation of Luminescent Properties of Cocrystals Composed of Amino Substituted Dimethyl Phthalates and 1,2,4,5-Tetracyanobenzene by Crystal Engineering","CrystEngComm","2024","","","","","10.1039/D4CE00218K","","x-ray","0.71073","MoKα","","0.0816","0.0591","","","0.1569","0.1741","","","","","","1.048","","","","has coordinates","291409","2024-04-29","22:40:09",""
"7248555","7.6502","0.0003","22.7523","0.0007","18.216","0.0005","90","","101.461","0.003","90","","3107.45","0.18","113.15","","113.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","dimethyl 5-aminoisophthalate, 1,2,4,5-tetracyanobenzene","","- C30 H24 N6 O8 -","- C30 H24 N6 O8 -","- C120 H96 N24 O32 -","4","1","","Zhang, Xiaokai; Li, Zhonghua; Han, Rui; Lin, Jiawei; Li, Maolin; Zhou, Jianmin; Wu, Songgu; Gong, Junbo","Modulation of Luminescent Properties of Cocrystals Composed of Amino Substituted Dimethyl Phthalates and 1,2,4,5-Tetracyanobenzene by Crystal Engineering","CrystEngComm","2024","","","","","10.1039/D4CE00218K","","x-ray","0.71073","MoKα","","0.1184","0.0891","","","0.2337","0.2585","","","","","","1.035","","","","has coordinates","291409","2024-04-29","22:40:10",""
"7248556","15.184","0.0002","6.1146","0.0001","15.368","0.0003","90","","116.952","0.002","90","","1271.86","0.04","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 Cl N S2 -","- C12 H14 Cl N S2 -","- C48 H56 Cl4 N4 S8 -","4","1","","Yeo, Chien Ing; Kwong, Huey Chong; Tan, Sang Loon; Tiekink, Edward R. T.","Variable non-covalent interactions in the crystals of a series of 4-Y-benzyl pyrrolidine-1-carbodithioates: Y = Cl, Br, I, Me and NO2","CrystEngComm","2024","","","","","10.1039/D4CE00158C","","","1.54178","CuKα","","0.0234","0.0221","","","0.0565","0.0575","","","","","","1.031","","","","has coordinates,has disorder","291410","2024-04-29","22:40:47",""
"7248557","13.9471","0.0005","11.0713","0.0003","8.2857","0.0003","90","","90","","90","","1279.42","0.07","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 N2 O2 S2 -","- C12 H14 N2 O2 S2 -","- C48 H56 N8 O8 S8 -","4","1","","Yeo, Chien Ing; Kwong, Huey Chong; Tan, Sang Loon; Tiekink, Edward R. T.","Variable non-covalent interactions in the crystals of a series of 4-Y-benzyl pyrrolidine-1-carbodithioates: Y = Cl, Br, I, Me and NO2","CrystEngComm","2024","","","","","10.1039/D4CE00158C","","","1.54178","CuKα","","0.0393","0.0379","","","0.1098","0.1107","","","","","","1.183","","","","has coordinates","291410","2024-04-29","22:40:48",""
"7248558","12.0797","0.0002","9.725","0.0001","12.7025","0.0002","90","","117.262","0.002","90","","1326.47","0.04","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 I N S2 -","- C12 H14 I N S2 -","- C48 H56 I4 N4 S8 -","4","1","","Yeo, Chien Ing; Kwong, Huey Chong; Tan, Sang Loon; Tiekink, Edward R. T.","Variable non-covalent interactions in the crystals of a series of 4-Y-benzyl pyrrolidine-1-carbodithioates: Y = Cl, Br, I, Me and NO2","CrystEngComm","2024","","","","","10.1039/D4CE00158C","","","1.54178","CuKα","","0.0216","0.0207","","","0.054","0.0548","","","","","","1.087","","","","has coordinates","291410","2024-04-29","22:40:48",""
"7248559","12.4564","0.0005","5.9662","0.0002","17.6358","0.0005","90","","101.17","0.003","90","","1285.82","0.08","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H17 N S2 -","- C13 H17 N S2 -","- C52 H68 N4 S8 -","4","1","","Yeo, Chien Ing; Kwong, Huey Chong; Tan, Sang Loon; Tiekink, Edward R. T.","Variable non-covalent interactions in the crystals of a series of 4-Y-benzyl pyrrolidine-1-carbodithioates: Y = Cl, Br, I, Me and NO2","CrystEngComm","2024","","","","","10.1039/D4CE00158C","","","1.54178","CuKα","","0.0453","0.0353","","","0.086","0.0919","","","","","","1.027","","","","has coordinates","291410","2024-04-29","22:40:48",""
"7248560","12.1754","0.0002","9.6431","0.0001","12.347","0.0002","90","","117.889","0.002","90","","1281.28","0.04","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 Br N S2 -","- C12 H14 Br N S2 -","- C48 H56 Br4 N4 S8 -","4","1","","Yeo, Chien Ing; Kwong, Huey Chong; Tan, Sang Loon; Tiekink, Edward R. T.","Variable non-covalent interactions in the crystals of a series of 4-Y-benzyl pyrrolidine-1-carbodithioates: Y = Cl, Br, I, Me and NO2","CrystEngComm","2024","","","","","10.1039/D4CE00158C","","","1.54178","CuKα","","0.0174","0.0168","","","0.0438","0.0442","","","","","","1.082","","","","has coordinates","291410","2024-04-29","22:40:48",""
"7248562","12.3978","0.0006","13.197","0.0007","21.5304","0.0011","76.78","0.002","75.297","0.002","62.998","0.002","3009.5","0.3","193","","193","","","","","","","","","5","P -1","-P 1","2","","","","- C64 H62 N8 O13 Zn2 -","- C64 H62 N8 O13 Zn2 -","- C128 H124 N16 O26 Zn4 -","2","1","","Teng, Yu-Kang; Wu, Qian; Sun, Yao; Wang, Chen; Zhang, Rui; Lu, Zhen-Zhong","Mixed matrix membranes based on fluorescent coordination polymers for the detection of Cr2O72− in water","CrystEngComm","2024","","","","","10.1039/D4CE00182F","","","0.71073","MoKα","","0.1015","0.0688","","","0.1566","0.1784","","","","","","1.049","","","","has coordinates","291439","2024-05-01","22:33:14",""
"7248563","13.1661","0.0002","20.0691","0.0004","17.0366","0.0003","90","","104.96","0.001","90","","4349.03","0.13","193","","193","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H45 Cd2 N6 O10 -","- C46 H45 Cd2 N6 O10 -","- C184 H180 Cd8 N24 O40 -","4","1","","Teng, Yu-Kang; Wu, Qian; Sun, Yao; Wang, Chen; Zhang, Rui; Lu, Zhen-Zhong","Mixed matrix membranes based on fluorescent coordination polymers for the detection of Cr2O72− in water","CrystEngComm","2024","","","","","10.1039/D4CE00182F","","","1.54178","CuKα","","0.0342","0.0312","","","0.0999","0.1025","","","","","","1.044","","","","has coordinates","291439","2024-05-01","22:33:15",""
"7248564","11.9919","0.0007","16.8356","0.001","17.173","0.0009","64.117","0.003","79.161","0.003","77.41","0.004","3027.2","0.3","295.62","","295.62","","","","","","","","","5","P -1","-P 1","2","","","","- C56 H48 N8 O8 Zn2 -","- C56 H48 N8 O8 Zn2 -","- C112 H96 N16 O16 Zn4 -","2","1","","Teng, Yu-Kang; Wu, Qian; Sun, Yao; Wang, Chen; Zhang, Rui; Lu, Zhen-Zhong","Mixed matrix membranes based on fluorescent coordination polymers for the detection of Cr2O72− in water","CrystEngComm","2024","","","","","10.1039/D4CE00182F","","","0.71073","MoKα","","0.1873","0.0904","","","0.1691","0.1967","","","","","","0.99","","","","has coordinates","291439","2024-05-01","22:33:15",""
"7248565","32.213","0.012","7.738","0.002","19.107","0.006","90","","103.238","0.01","90","","4636","3","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H24 F N3 O7 -","- C25 H24 F N3 O7 -","- C200 H192 F8 N24 O56 -","8","1","","Zhu, Yujun; Liu, Ruoxi; Wang, Leyao; Chen, Chen; Zhao, Yupei; Guo, Wei; Zhang, Zhi-Hui","Ciprofloxacin salts of benzene mono/di-carboxylate: Crystal structures and the improvement of solubility","CrystEngComm","2024","","","","","10.1039/D4CE00213J","","","0.71073","MoKα","","0.1932","0.1017","","","0.2705","0.3495","","","","","","1.06","","","","has coordinates","291440","2024-05-01","22:33:46",""
"7248566","7.311","0.002","11.567","0.004","13.026","0.004","95.552","0.008","98.49","0.008","92.972","0.008","1081.9","0.6","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 F N3 O8 -","- C21 H27 F N3 O8 -","- C42 H54 F2 N6 O16 -","2","1","","Zhu, Yujun; Liu, Ruoxi; Wang, Leyao; Chen, Chen; Zhao, Yupei; Guo, Wei; Zhang, Zhi-Hui","Ciprofloxacin salts of benzene mono/di-carboxylate: Crystal structures and the improvement of solubility","CrystEngComm","2024","","","","","10.1039/D4CE00213J","","","0.71073","MoKα","","0.1039","0.0588","","","0.1749","0.2561","","","","","","1.025","","","","has coordinates","291440","2024-05-01","22:33:47",""
"7248567","9.194","0.003","12.72","0.004","14.712","0.005","82.783","0.009","77.177","0.009","76.989","0.009","1629.4","0.9","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C69 H70 F2 N6 O23 -","- C69 H70 F2 N6 O23 -","- C69 H70 F2 N6 O23 -","1","0.5","","Zhu, Yujun; Liu, Ruoxi; Wang, Leyao; Chen, Chen; Zhao, Yupei; Guo, Wei; Zhang, Zhi-Hui","Ciprofloxacin salts of benzene mono/di-carboxylate: Crystal structures and the improvement of solubility","CrystEngComm","2024","","","","","10.1039/D4CE00213J","","","0.71073","MoKα","","0.1406","0.0816","","","0.2455","0.3041","","","","","","0.994","","","","has coordinates,has disorder","291440","2024-05-01","22:33:47",""
"7248568","9.2235","0.0008","11.3207","0.001","15.6694","0.0014","89.989","0.002","75.496","0.002","85.944","0.002","1579.8","0.2","295","2","295.15","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H21 Cl6 F N3 O9 -","- C29 H21 Cl6 F N3 O9 -","- C58 H42 Cl12 F2 N6 O18 -","2","1","","Zhu, Yujun; Liu, Ruoxi; Wang, Leyao; Chen, Chen; Zhao, Yupei; Guo, Wei; Zhang, Zhi-Hui","Ciprofloxacin salts of benzene mono/di-carboxylate: Crystal structures and the improvement of solubility","CrystEngComm","2024","","","","","10.1039/D4CE00213J","","","0.71073","MoKα","","0.0522","0.0409","","","0.1204","0.1313","","","","","","1.06","","","","has coordinates","291440","2024-05-01","22:33:47",""
"7248569","10.5368","0.0012","13.7042","0.0016","15.0079","0.0017","84.737","0.002","86.232","0.002","69.254","0.002","2016.8","0.4","295","2","295.15","","","","","","","","","5","P -1","-P 1","2","","","","- C84 H94 F4 N12 O25 -","- C84 H94 F4 N12 O25 -","- C84 H94 F4 N12 O25 -","1","0.5","","Zhu, Yujun; Liu, Ruoxi; Wang, Leyao; Chen, Chen; Zhao, Yupei; Guo, Wei; Zhang, Zhi-Hui","Ciprofloxacin salts of benzene mono/di-carboxylate: Crystal structures and the improvement of solubility","CrystEngComm","2024","","","","","10.1039/D4CE00213J","","","0.71073","MoKα","","0.0869","0.061","","","0.1872","0.2345","","","","","","1.052","","","","has coordinates,has disorder","291440","2024-05-01","22:33:48",""
"7248570","9.0499","0.0008","9.5985","0.001","11.2088","0.0011","64.656","0.01","78.043","0.008","66.903","0.009","808.51","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H14 N2 O6 -","- C20 H14 N2 O6 -","- C40 H28 N4 O12 -","2","1","","Yin, Pei-Pei; Chen, Yu-E; Diao, Jia-Wei; Cheng, Yi-Yang; Yang, Xiao-Gang; Liu, Baozhong; Ma, Lufang","Facile synthesis of 2,5-dihydroxyterephthalic acid based charge transfer cocrystal for photoelectric applications","CrystEngComm","2024","","","","","10.1039/D4CE00338A","","x-ray","0.71073","MoKα","","0.0869","0.0594","","","0.1331","0.1503","","","","","","1.058","","","","has coordinates","291441","2024-05-01","22:34:04",""
"7248571","7.456","0.006","8.475","0.008","11.895","0.016","82.16","0.06","76.38","0.05","71.47","0.04","691.1","1.3","298","2","298","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H16 N2 O5 -","- C15 H16 N2 O5 -","- C30 H32 N4 O10 -","2","1","","Nag, Sayak; Emmerling, Franziska; Tothadie, Srinu; Bhattacharya, Biswajit; Ghosh, Soumyajit","Distinct Photomechanical Responses of Two new 1,3-Dimethylbarbituric Acid Derivative Crystals","CrystEngComm","2024","","","","","10.1039/D4CE00233D","","","0.71073","MoKα","","0.0455","0.0393","","","0.1071","0.1113","","","","","","1.067","","","","has coordinates","291462","2024-05-02","22:36:54",""
"7248572","7.0505","0.0006","8.0193","0.0007","13.9507","0.0012","81.526","0.003","88.415","0.003","70.313","0.003","734.35","0.11","300","","300","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C32 H32 N4 O8 -","2","1","","Nag, Sayak; Emmerling, Franziska; Tothadie, Srinu; Bhattacharya, Biswajit; Ghosh, Soumyajit","Distinct Photomechanical Responses of Two new 1,3-Dimethylbarbituric Acid Derivative Crystals","CrystEngComm","2024","","","","","10.1039/D4CE00233D","","","0.71073","MoKα","","0.0726","0.0664","","","0.2091","0.2172","","","","","","1.098","","","","has coordinates","291462","2024-05-02","22:36:54",""
"7248573","6.7599","0.0002","7.3998","0.0002","13.9289","0.0004","90","","112.268","0.002","90","","644.79","0.03","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- F4 K2 Mn O3 P -","- F4 K2 Mn O3 P -","- F16 K8 Mn4 O12 P4 -","4","1","","Luo, Qi; Li, Ningxia; Zhao, Zhiying; Cui, Meiyan; He, Zhangzhen","Synthesis and magnetic properties of two fluorophosphates K2Mn(PO3F)F3 and Na2Mn(HPO4)F3 with a S = 2 uniform spin chain structure","CrystEngComm","2024","","","","","10.1039/D4CE00180J","","x-ray","1.3405","GaKα","","0.041","0.0398","","","0.1081","0.1093","","","","","","1.088","","","","has coordinates","291463","2024-05-02","22:37:11",""
"7248574","5.6785","0.0003","7.7011","0.0003","6.8171","0.0004","90","","109.673","0.006","90","","280.72","0.03","99.99","0.1","99.99","0.1","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- F3 H Mn Na2 O4 P -","- F3 H Mn Na2 O4 P -","- F6 H2 Mn2 Na4 O8 P2 -","2","0.5","","Luo, Qi; Li, Ningxia; Zhao, Zhiying; Cui, Meiyan; He, Zhangzhen","Synthesis and magnetic properties of two fluorophosphates K2Mn(PO3F)F3 and Na2Mn(HPO4)F3 with a S = 2 uniform spin chain structure","CrystEngComm","2024","","","","","10.1039/D4CE00180J","","x-ray","0.71073","MoKα","","0.0273","0.025","","","0.058","0.0593","","","","","","1.121","","","","has coordinates","291463","2024-05-02","22:37:11",""
"7248579","10.0955","0.0004","40.9697","0.0015","11.4889","0.0004","90","","98.139","0.001","90","","4704.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H63 Cd N5 O5 -","- C50 H63 Cd N5 O5 -","- C200 H252 Cd4 N20 O20 -","4","1","","Trofimova, Olesya Yur'evna; Meshcheryakova, Irina N.; Druzhkov, Nikolai; Ershova, Irina V.; Maleeva, Aryna Valer'evna; Cherkasov, Anton Vladimirovich; Yakushev, Ilya; Dorovatovskii, Pavel; Aysin, Rinat R.; Piskunov, Alexandr Vladimirovich","STRUCTURAL DIVERSITY OF CADMIUM COORDINATION POLYMERS BASED ON THE EXTENDED ANILATE-TYPE LIGAND","CrystEngComm","2024","","","","","10.1039/D4CE00272E","","","0.71073","MoKα","","0.0339","0.031","","","0.0673","0.0684","","","","","","1.052","","","","has coordinates,has disorder","291481","2024-05-03","22:31:56",""
"7248580","12.445","0.0012","15.1029","0.0014","15.5578","0.0015","94.759","0.003","113.19","0.003","103.711","0.003","2559.9","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H70 Cd N6 O6 -","- C53 H70 Cd N6 O6 -","- C106 H140 Cd2 N12 O12 -","2","1","","Trofimova, Olesya Yur'evna; Meshcheryakova, Irina N.; Druzhkov, Nikolai; Ershova, Irina V.; Maleeva, Aryna Valer'evna; Cherkasov, Anton Vladimirovich; Yakushev, Ilya; Dorovatovskii, Pavel; Aysin, Rinat R.; Piskunov, Alexandr Vladimirovich","STRUCTURAL DIVERSITY OF CADMIUM COORDINATION POLYMERS BASED ON THE EXTENDED ANILATE-TYPE LIGAND","CrystEngComm","2024","","","","","10.1039/D4CE00272E","","","0.71073","MoKα","","0.066","0.0448","","","0.0911","0.099","","","","","","1.053","","","","has coordinates","291481","2024-05-03","22:31:57",""
"7248581","16.372","0.008","10.139","0.003","22.227","0.004","90","","101.261","0.015","90","","3619","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H49 Cd N3 O5 -","- C37 H49 Cd N3 O5 -","- C148 H196 Cd4 N12 O20 -","4","1","","Trofimova, Olesya Yur'evna; Meshcheryakova, Irina N.; Druzhkov, Nikolai; Ershova, Irina V.; Maleeva, Aryna Valer'evna; Cherkasov, Anton Vladimirovich; Yakushev, Ilya; Dorovatovskii, Pavel; Aysin, Rinat R.; Piskunov, Alexandr Vladimirovich","STRUCTURAL DIVERSITY OF CADMIUM COORDINATION POLYMERS BASED ON THE EXTENDED ANILATE-TYPE LIGAND","CrystEngComm","2024","","","","","10.1039/D4CE00272E","","","0.79313","synchrotron","","0.0833","0.0456","","","0.0922","0.107","","","","","","1.016","","","","has coordinates","291481","2024-05-03","22:31:57",""
"7248582","10.7318","0.0012","14.111","0.0016","14.3004","0.0017","64.885","0.002","72.876","0.008","75.908","0.005","1856.3","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H110 Cd N12 O8 -","- C80 H110 Cd N12 O8 -","- C80 H110 Cd N12 O8 -","1","0.5","","Trofimova, Olesya Yur'evna; Meshcheryakova, Irina N.; Druzhkov, Nikolai; Ershova, Irina V.; Maleeva, Aryna Valer'evna; Cherkasov, Anton Vladimirovich; Yakushev, Ilya; Dorovatovskii, Pavel; Aysin, Rinat R.; Piskunov, Alexandr Vladimirovich","STRUCTURAL DIVERSITY OF CADMIUM COORDINATION POLYMERS BASED ON THE EXTENDED ANILATE-TYPE LIGAND","CrystEngComm","2024","","","","","10.1039/D4CE00272E","","","0.79313","synchrotron","","0.0483","0.0437","","","0.1139","0.117","","","","","","1.033","","","","has coordinates,has disorder","291481","2024-05-03","22:31:58",""
"7248583","10.0555","0.0007","13.6937","0.001","17.1536","0.0012","92.456","0.002","106.837","0.002","106.896","0.002","2142.2","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H53 Cd N4 O5 -","- C42 H53 Cd N4 O5 -","- C84 H106 Cd2 N8 O10 -","2","1","","Trofimova, Olesya Yur'evna; Meshcheryakova, Irina N.; Druzhkov, Nikolai; Ershova, Irina V.; Maleeva, Aryna Valer'evna; Cherkasov, Anton Vladimirovich; Yakushev, Ilya; Dorovatovskii, Pavel; Aysin, Rinat R.; Piskunov, Alexandr Vladimirovich","STRUCTURAL DIVERSITY OF CADMIUM COORDINATION POLYMERS BASED ON THE EXTENDED ANILATE-TYPE LIGAND","CrystEngComm","2024","","","","","10.1039/D4CE00272E","","","0.71073","MoKα","","0.0655","0.0482","","","0.1036","0.1108","","","","","","1.017","","","","has coordinates","291481","2024-05-03","22:31:59",""
"7248584","10.664","0.003","42.973","0.005","9.228","0.002","90","","97.349","0.015","90","","4194.1","1.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H58 Cd N4 O6 -","- C42 H58 Cd N4 O6 -","- C168 H232 Cd4 N16 O24 -","4","1","","Trofimova, Olesya Yur'evna; Meshcheryakova, Irina N.; Druzhkov, Nikolai; Ershova, Irina V.; Maleeva, Aryna Valer'evna; Cherkasov, Anton Vladimirovich; Yakushev, Ilya; Dorovatovskii, Pavel; Aysin, Rinat R.; Piskunov, Alexandr Vladimirovich","STRUCTURAL DIVERSITY OF CADMIUM COORDINATION POLYMERS BASED ON THE EXTENDED ANILATE-TYPE LIGAND","CrystEngComm","2024","","","","","10.1039/D4CE00272E","","","0.79313","synchrotron","","0.113","0.0808","","","0.1807","0.1977","","","","","","1.045","","","","has coordinates,has disorder","291481","2024-05-03","22:31:59",""
"7248585","14.3702","0.0008","13.3514","0.0008","24.3154","0.0014","90","","94.535","0.002","90","","4650.6","0.5","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H34 N8 O21 Zn3 -","- C48 H34 N8 O21 Zn3 -","- C192 H136 N32 O84 Zn12 -","4","0.5","","Chen, Qiang; Zhao, Chenzhu; Li, Xu-Sheng; Liu, Hua; Chen, Jiao; Li, Quan-Quan; Liu, Ping; Wang, Yao-Yu","Accelerating interfacial charge transfer and photocatalytic activity of Z-scheme Zn-MOF/GO heterojunction towards the removal of Cr(VI) and methylene blue","CrystEngComm","2024","","","","","10.1039/D4CE00324A","","","1.34138","GaKα","","0.0355","0.03","","","0.0757","0.0788","","","","","","1.039","","","","has coordinates","291741","2024-05-06","22:42:04",""
"7248586","22.635","0.004","18.2458","0.0018","8.4549","0.0012","90","","90","","90","","3491.8","0.9","293","2","","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C8 H8 N2 O2 S -","- C8 H8 N2 O2 S -","- C128 H128 N32 O32 S16 -","16","1","","Shaiwale, Mayuri; Narayan, Som; Jha, Prafulla K.; Ballabh, Amar","A simple and efficient synthesis of a series of N -(thiazol-2-yl)piperidine-2,6-dione compounds and their interesting NLO properties","CrystEngComm","2024","","","","","10.1039/D4CE00217B","","x-ray","0.71073","MoKα","","0.037","0.0337","","","0.0998","0.1035","","","","","","1.1032","","","","has coordinates","291742","2024-05-06","22:42:35",""
"7248587","17.3234","0.0014","6.5197","0.0005","8.7737","0.0007","90","","90","","90","","990.93","0.14","293","2","","","","","","","","","","5","P n a 21","P 2c -2n","33","","1-(5-methylthiazol-2-yl)piperidine-2,6-dione","","- C9 H10 N2 O2 S -","- C9 H10 N2 O2 S -","- C36 H40 N8 O8 S4 -","4","1","","Shaiwale, Mayuri; Narayan, Som; Jha, Prafulla K.; Ballabh, Amar","A simple and efficient synthesis of a series of N -(thiazol-2-yl)piperidine-2,6-dione compounds and their interesting NLO properties","CrystEngComm","2024","","","","","10.1039/D4CE00217B","","x-ray","0.71073","MoKα","","0.0535","0.0445","","","0.0853","0.0897","","","","","","1.0658","","","","has coordinates","291742","2024-05-06","22:42:36",""
"7248588","10.4402","0.0013","9.0667","0.0012","10.6841","0.0015","90","","103.828","0.012","90","","982","0.2","293","2","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(4-methylthiazol-2-yl)piperidine-2,6-dione","","- C9 H10 N2 O2 S -","- C9 H10 N2 O2 S -","- C36 H40 N8 O8 S4 -","4","1","","Shaiwale, Mayuri; Narayan, Som; Jha, Prafulla K.; Ballabh, Amar","A simple and efficient synthesis of a series of N -(thiazol-2-yl)piperidine-2,6-dione compounds and their interesting NLO properties","CrystEngComm","2024","","","","","10.1039/D4CE00217B","","x-ray","0.71073","MoKα","","0.0523","0.0402","","","0.1016","0.1105","","","","","","1.053","","","","has coordinates","291742","2024-05-06","22:42:36",""
"7248589","11.0048","0.0007","9.1927","0.0007","21.2407","0.0014","90","","90","","90","","2148.8","0.3","293","2","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-(4,5-dimethylthiazol-2-yl)piperidine-2,6-dione","","- C10 H12 N2 O2 S -","- C10 H12 N2 O2 S -","- C80 H96 N16 O16 S8 -","8","1","","Shaiwale, Mayuri; Narayan, Som; Jha, Prafulla K.; Ballabh, Amar","A simple and efficient synthesis of a series of N -(thiazol-2-yl)piperidine-2,6-dione compounds and their interesting NLO properties","CrystEngComm","2024","","","","","10.1039/D4CE00217B","","x-ray","0.71073","MoKα","","0.0892","0.0588","","","0.1608","0.1864","","","","","","1.049","","","","has coordinates","291742","2024-05-06","22:42:36",""
"7248590","10.7717","0.0009","9.2453","0.0009","23.0901","0.0014","90","","90","","90","","2299.5","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-(benzo[d]thiazol-2-yl)piperidine-2,6-dione","","- C12 H10 N2 O2 S -","- C12 H10 N2 O2 S -","- C96 H80 N16 O16 S8 -","8","1","","Shaiwale, Mayuri; Narayan, Som; Jha, Prafulla K.; Ballabh, Amar","A simple and efficient synthesis of a series of N -(thiazol-2-yl)piperidine-2,6-dione compounds and their interesting NLO properties","CrystEngComm","2024","","","","","10.1039/D4CE00217B","","x-ray","0.71073","MoKα","","0.0853","0.0675","","","0.2051","0.2256","","","","","","0.905","","","","has coordinates","291742","2024-05-06","22:42:36",""
"7248597","14.5312","0.0006","13.8795","0.0005","15.1632","0.0006","90","","90","","90","","3058.2","0.2","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C8 H20 I3 N -","- C8 H20 I3 N -","- C64 H160 I24 N8 -","8","1","","Hamdouni, Monia; Hrizi, Chakib; Esghaier, Mohsen Ouled Mohamed; Knorr, Michael; Strohmann, Carsten; Chaabouni, Slaheddine","Molecular self-assembly of 1D linear and 2D T-shape polyiodide arrangements in two organic ammonium triiodide salts: supramolecular structures and density functional theory-based optical properties","CrystEngComm","2024","","","","","10.1039/D4CE00079J","","","0.71073","MoKα","","0.0446","0.0257","","","0.051","0.061","","","","","","1.051","","","","has coordinates,has disorder","291794","2024-05-09","22:33:23",""
"7248598","16.9466","0.0012","6.0287","0.0004","13.6214","0.0011","90","","97.621","0.004","90","","1379.35","0.17","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C7 H12 I3 N2 O0.5 -","- C7 H12 I3 N2 O0.5 -","- C28 H48 I12 N8 O2 -","4","1","","Hamdouni, Monia; Hrizi, Chakib; Esghaier, Mohsen Ouled Mohamed; Knorr, Michael; Strohmann, Carsten; Chaabouni, Slaheddine","Molecular self-assembly of 1D linear and 2D T-shape polyiodide arrangements in two organic ammonium triiodide salts: supramolecular structures and density functional theory-based optical properties","CrystEngComm","2024","","","","","10.1039/D4CE00079J","","","0.71073","MoKα","","0.0732","0.0405","","","0.0861","0.1157","","","","","","1.197","","","","has coordinates","291794","2024-05-09","22:33:25",""
"7248599","8.6015","0.0017","11.121","0.002","13.895","0.003","90","","90.292","0.007","90","","1329.1","0.5","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H30 Cd N5 O12 P -","- C21 H30 Cd N5 O12 P -","- C42 H60 Cd2 N10 O24 P2 -","2","1","","Khan, Yaqoot; Ismail, Ismail; Ma, Hongwei; Li, Zhongkui; Li, Hui","Sugar–nucleobase hydrogen bonding in cytidine 5′-monophosphate nucleotide-cadmium coordination complexes","CrystEngComm","2024","","","","","10.1039/D4CE00150H","","","0.71073","MoKα","","0.0775","0.0493","","","0.0785","0.0872","","","","","","1.012","","","","has coordinates","291831","2024-05-13","22:46:23",""
"7248600","13.813","0.005","14.472","0.006","20.721","0.007","90","","90","","90","","4142","3","296.15","","296.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H44 Cd N8 O21 P2 -","- C30 H44 Cd N8 O21 P2 -","- C120 H176 Cd4 N32 O84 P8 -","4","1","","Khan, Yaqoot; Ismail, Ismail; Ma, Hongwei; Li, Zhongkui; Li, Hui","Sugar–nucleobase hydrogen bonding in cytidine 5′-monophosphate nucleotide-cadmium coordination complexes","CrystEngComm","2024","","","","","10.1039/D4CE00150H","","","0.71073","MoKα","","0.0618","0.0525","","","0.127","0.1332","","","","","","1.06","","","","has coordinates","291831","2024-05-13","22:46:23",""
"7248601","9.3779","0.0013","12.2117","0.0018","13.625","0.0019","90","","106.071","0.004","90","","1499.4","0.4","296.15","","296.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H34 Cd N7 O15 P -","- C19 H34 Cd N7 O15 P -","- C38 H68 Cd2 N14 O30 P2 -","2","1","","Khan, Yaqoot; Ismail, Ismail; Ma, Hongwei; Li, Zhongkui; Li, Hui","Sugar–nucleobase hydrogen bonding in cytidine 5′-monophosphate nucleotide-cadmium coordination complexes","CrystEngComm","2024","","","","","10.1039/D4CE00150H","","","0.71073","MoKα","","0.033","0.0281","","","0.0632","0.0655","","","","","","1.014","","","","has coordinates","291831","2024-05-13","22:46:24",""
"7248602","8.31","0.005","11.901","0.007","14.109","0.008","90","","92.58","0.02","90","","1393.9","1.4","296.15","","296.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H32 Cd N5 O13 P -","- C21 H32 Cd N5 O13 P -","- C42 H64 Cd2 N10 O26 P2 -","2","1","","Khan, Yaqoot; Ismail, Ismail; Ma, Hongwei; Li, Zhongkui; Li, Hui","Sugar–nucleobase hydrogen bonding in cytidine 5′-monophosphate nucleotide-cadmium coordination complexes","CrystEngComm","2024","","","","","10.1039/D4CE00150H","","","0.71073","MoKα","","0.0194","0.0183","","","0.0437","0.0443","","","","","","1.04","","","","has coordinates","291831","2024-05-13","22:46:24",""
"7248603","13.5898","0.0015","14.6787","0.0017","21.008","0.002","90","","90","","90","","4190.7","0.8","296.15","","296.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H43 Cd N10 O20 P2 -","- C28 H43 Cd N10 O20 P2 -","- C112 H172 Cd4 N40 O80 P8 -","4","1","","Khan, Yaqoot; Ismail, Ismail; Ma, Hongwei; Li, Zhongkui; Li, Hui","Sugar–nucleobase hydrogen bonding in cytidine 5′-monophosphate nucleotide-cadmium coordination complexes","CrystEngComm","2024","","","","","10.1039/D4CE00150H","","","0.71073","MoKα","","0.059","0.0435","","","0.095","0.1006","","","","","","1.026","","","","has coordinates","291831","2024-05-13","22:46:24",""
"7248604","34.707","0.002","11.0408","0.0007","21.7951","0.0016","90","","102.202","0.001","90","","8163.1","0.9","296.15","","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H34 Cd1.5 Cl N8 O8 -","- C40 H34 Cd1.5 Cl N8 O8 -","- C320 H272 Cd12 Cl8 N64 O64 -","8","1","","Wu, Yu; Li, Junlan; Xu, Jing; Muddassir, Mohammad; Kushwaha, Aparna; Daniel, Omoding; Kumar, Abhinav; Zou, Like","4,4'-bis(imidazolyl)biphenyl appended Cd(II) coordination polymer: A dual functional material for antibiotic sensing and photodegradation","CrystEngComm","2024","","","","","10.1039/D4CE00294F","","","0.71073","MoKα","","0.1231","0.0648","","","0.1755","0.221","","","","","","1.028","","","","has coordinates,has disorder","291832","2024-05-13","22:46:46",""
"7248608","7.386","0.0015","15.868","0.003","19.198","0.004","103.38","0.03","95.61","0.03","99.79","0.03","2134.9","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H34 N3 O24 P3 Zn4 -","- C42 H34 N3 O24 P3 Zn4 -","- C84 H68 N6 O48 P6 Zn8 -","2","1","","Chen, Xi; Chen, Zi-tong; Xu, Shixian; Chen, Yuan; Tong, Jia-Ping; Li, Bao","A Self-Assembled Metal-Organic Framework for Enhanced UO22+ Fluorescent Sensing: Integration of Octa-Nuclear Zinc Cluster with Hexakis(4-Carboxyphenoxy)Cyclotriphosphazene","CrystEngComm","2024","","","","","10.1039/D4CE00401A","","","0.71073","MoKα","","0.0838","0.0777","","","0.219","0.2251","","","","","","1.047","","","","has coordinates","291862","2024-05-15","22:36:16",""
"7248609","8.1484","0.0002","8.1484","0.0002","26.8449","0.0011","90","","90","","90","","1782.41","0.1","172.8","0.2","172.8","0.2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C5 H13 Cl N2 O4 -","- C5 H13 Cl N2 O4 -","- C40 H104 Cl8 N16 O32 -","8","1","","Yang, Shu-Jing; Bai, Yong-Ju; Qi, Jun-Chao; Huang, Xiao-Yun; Shen, Xin; Lu, Yan-Zi; Xia, Zhang-Tian; Lv, Hui-Peng; Liao, Wei-Qiang","A homochiral polar molecular piezoelectric material with phase transition and high piezoelectricity precisely designed by cyanomethyl group substitution","CrystEngComm","2024","","","","","10.1039/D4CE00023D","","x-ray","0.71073","MoKα","","0.0457","0.0407","","","0.1015","0.105","","","","","","1.043","","","","has coordinates,has disorder","291863","2024-05-15","22:36:36",""
"7248610","13.9407","0.0007","7.4715","0.0004","18.8287","0.0009","90","","106.62","0.005","90","","1879.23","0.17","172.98","0.1","172.98","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H15 Cl N4 O4 -","- C9 H15 Cl N4 O4 -","- C54 H90 Cl6 N24 O24 -","6","3","","Yang, Shu-Jing; Bai, Yong-Ju; Qi, Jun-Chao; Huang, Xiao-Yun; Shen, Xin; Lu, Yan-Zi; Xia, Zhang-Tian; Lv, Hui-Peng; Liao, Wei-Qiang","A homochiral polar molecular piezoelectric material with phase transition and high piezoelectricity precisely designed by cyanomethyl group substitution","CrystEngComm","2024","","","","","10.1039/D4CE00023D","","x-ray","0.71073","MoKα","","0.0761","0.0547","","","0.1406","0.1542","","","","","","0.92","","","","has coordinates","291863","2024-05-15","22:36:37",""
"7248611","8.8528","0.0006","7.5471","0.0007","9.7043","0.0008","90","","97.654","0.007","90","","642.6","0.09","297.99","0.1","297.99","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H15 Cl N4 O4 -","- C9 H15 Cl N4 O4 -","- C18 H30 Cl2 N8 O8 -","2","1","","Yang, Shu-Jing; Bai, Yong-Ju; Qi, Jun-Chao; Huang, Xiao-Yun; Shen, Xin; Lu, Yan-Zi; Xia, Zhang-Tian; Lv, Hui-Peng; Liao, Wei-Qiang","A homochiral polar molecular piezoelectric material with phase transition and high piezoelectricity precisely designed by cyanomethyl group substitution","CrystEngComm","2024","","","","","10.1039/D4CE00023D","","x-ray","0.71073","MoKα","","0.1077","0.0754","","","0.2139","0.2412","","","","","","1.051","","","","has coordinates,has disorder","291863","2024-05-15","22:36:37",""
"7248612","31.366","0.002","10.0042","0.0007","22.8146","0.0017","90","","96.959","0.008","90","","7106.3","0.9","150","0.1","150","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H26 Br Cu S2 -","- C16 H26 Br Cu S2 -","- C256 H416 Br16 Cu16 S32 -","16","2","","Knorr, Michael; Viau, Lydie; Knauer, Lena; Strohman, Carsten; Rousselin, Yoann; Kubicki, Marek","Polymeric CuX coordination compounds assembled by acetylenic thioether ligands RSCH2C≡CCH2R (R = C6H11, t-Bu): Effect of the RS-group, halide and stoichiometry on the network architecture and the luminescence properties","CrystEngComm","2024","","","","","10.1039/D4CE00173G","","","0.71073","MoKα","","0.0483","0.0301","","","0.0636","0.0653","","","","","","0.89","","","","has coordinates","291864","2024-05-15","22:38:15",""
"7248613","8.7545","0.0014","10.0042","0.0015","11.2498","0.0015","64.22","0.006","70.764","0.006","82.779","0.007","837.5","0.2","115","0.1","115","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C12 H22 Cl2 Cu S2 -","- C12 H22 Cl2 Cu S2 -","- C24 H44 Cl4 Cu2 S4 -","2","1","","Knorr, Michael; Viau, Lydie; Knauer, Lena; Strohman, Carsten; Rousselin, Yoann; Kubicki, Marek","Polymeric CuX coordination compounds assembled by acetylenic thioether ligands RSCH2C≡CCH2R (R = C6H11, t-Bu): Effect of the RS-group, halide and stoichiometry on the network architecture and the luminescence properties","CrystEngComm","2024","","","","","10.1039/D4CE00173G","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0338","0.0256","","","0.0638","0.0673","","","","","","1.063","","","","has coordinates","291864","2024-05-15","22:38:15",""
"7248614","8.7637","0.0014","15.977","0.002","11.262","0.002","90","","97.425","0.005","90","","1563.7","0.4","115","2","115","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H44 Br2 Cu2 S4 -","- C24 H44 Br2 Cu2 S4 -","- C48 H88 Br4 Cu4 S8 -","2","1","","Knorr, Michael; Viau, Lydie; Knauer, Lena; Strohman, Carsten; Rousselin, Yoann; Kubicki, Marek","Polymeric CuX coordination compounds assembled by acetylenic thioether ligands RSCH2C≡CCH2R (R = C6H11, t-Bu): Effect of the RS-group, halide and stoichiometry on the network architecture and the luminescence properties","CrystEngComm","2024","","","","","10.1039/D4CE00173G","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0964","0.0538","","","0.0609","0.0694","","","","","","0.974","","","","has coordinates","291864","2024-05-15","22:38:16",""
"7248615","12.0784","0.0005","9.6471","0.0004","13.6377","0.0005","90","","107.326","0.0012","90","","1516.98","0.11","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H22 Cl Cu S2 -","- C12 H22 Cl Cu S2 -","- C48 H88 Cl4 Cu4 S8 -","4","1","","Knorr, Michael; Viau, Lydie; Knauer, Lena; Strohman, Carsten; Rousselin, Yoann; Kubicki, Marek","Polymeric CuX coordination compounds assembled by acetylenic thioether ligands RSCH2C≡CCH2R (R = C6H11, t-Bu): Effect of the RS-group, halide and stoichiometry on the network architecture and the luminescence properties","CrystEngComm","2024","","","","","10.1039/D4CE00173G","","x-ray","0.71073","MoKα~1~","K-L~3~","0.029","0.0208","","","0.0441","0.047","","","","","","1.077","","","","has coordinates","291864","2024-05-15","22:38:16",""
"7248616","11.3631","0.0005","9.2959","0.0004","17.5929","0.0007","90","","107.327","0.0013","90","","1774.01","0.13","115","0.1","115","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H26 Cl Cu S2 -","- C16 H26 Cl Cu S2 -","- C64 H104 Cl4 Cu4 S8 -","4","1","","Knorr, Michael; Viau, Lydie; Knauer, Lena; Strohman, Carsten; Rousselin, Yoann; Kubicki, Marek","Polymeric CuX coordination compounds assembled by acetylenic thioether ligands RSCH2C≡CCH2R (R = C6H11, t-Bu): Effect of the RS-group, halide and stoichiometry on the network architecture and the luminescence properties","CrystEngComm","2024","","","","","10.1039/D4CE00173G","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0265","0.0196","","","0.0445","0.0472","","","","","","1.046","","","","has coordinates","291864","2024-05-15","22:38:16",""
"7248617","9.9428","0.0008","18.9973","0.0017","19.2437","0.0015","90","","90","","90","","3634.9","0.5","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H44 Cu4 I4 S4 -","- C24 H44 Cu4 I4 S4 -","- C96 H176 Cu16 I16 S16 -","4","1","","Knorr, Michael; Viau, Lydie; Knauer, Lena; Strohman, Carsten; Rousselin, Yoann; Kubicki, Marek","Polymeric CuX coordination compounds assembled by acetylenic thioether ligands RSCH2C≡CCH2R (R = C6H11, t-Bu): Effect of the RS-group, halide and stoichiometry on the network architecture and the luminescence properties","CrystEngComm","2024","","","","","10.1039/D4CE00173G","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0314","0.0296","","","0.072","0.0732","","","","","","1.064","","","","has coordinates","291864","2024-05-15","22:38:16",""
"7248618","11.4251","0.0003","16.2605","0.0004","8.8793","0.0002","90","","99.638","0.001","90","","1626.29","0.07","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H22 Cu I S2 -","- C12 H22 Cu I S2 -","- C48 H88 Cu4 I4 S8 -","4","1","","Knorr, Michael; Viau, Lydie; Knauer, Lena; Strohman, Carsten; Rousselin, Yoann; Kubicki, Marek","Polymeric CuX coordination compounds assembled by acetylenic thioether ligands RSCH2C≡CCH2R (R = C6H11, t-Bu): Effect of the RS-group, halide and stoichiometry on the network architecture and the luminescence properties","CrystEngComm","2024","","","","","10.1039/D4CE00173G","","x-ray","0.71073","MoKα~1~","K-L~3~","0.019","0.0176","","","0.043","0.0438","","","","","","1.079","","","","has coordinates","291864","2024-05-15","22:38:16",""
"7248619","8.1661","0.0004","10.2416","0.0005","15.1301","0.0006","90","","98.034","0.002","90","","1252.97","0.1","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H14 Br2 Cu N S -","- C8 H14 Br2 Cu N S -","- C32 H56 Br8 Cu4 N4 S4 -","4","1","","Knorr, Michael; Viau, Lydie; Knauer, Lena; Strohman, Carsten; Rousselin, Yoann; Kubicki, Marek","Polymeric CuX coordination compounds assembled by acetylenic thioether ligands RSCH2C≡CCH2R (R = C6H11, t-Bu): Effect of the RS-group, halide and stoichiometry on the network architecture and the luminescence properties","CrystEngComm","2024","","","","","10.1039/D4CE00173G","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0308","0.0258","","","0.0554","0.0576","","","","","","1.062","","","","has coordinates","291864","2024-05-15","22:38:16",""
"7248620","31.853","0.002","10.1612","0.0006","22.91","0.0014","90","","96.804","0.002","90","","7362.9","0.8","140","0.1","140","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H26 Cu I S2 -","- C16 H26 Cu I S2 -","- C256 H416 Cu16 I16 S32 -","16","2","","Knorr, Michael; Viau, Lydie; Knauer, Lena; Strohman, Carsten; Rousselin, Yoann; Kubicki, Marek","Polymeric CuX coordination compounds assembled by acetylenic thioether ligands RSCH2C≡CCH2R (R = C6H11, t-Bu): Effect of the RS-group, halide and stoichiometry on the network architecture and the luminescence properties","CrystEngComm","2024","","","","","10.1039/D4CE00173G","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0165","0.0162","","","0.039","0.0391","","","","","","1.147","","","","has coordinates","291864","2024-05-15","22:38:17",""
"7248621","11.9606","0.0016","19.095","0.003","21.026","0.003","96.658","0.004","105.219","0.004","105.342","0.004","4379","1.1","300","0.1","300","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C64 H104 Cu8 I8 S8 -","- C64 H104 Cu8 I8 S8 -","- C128 H208 Cu16 I16 S16 -","2","1","","Knorr, Michael; Viau, Lydie; Knauer, Lena; Strohman, Carsten; Rousselin, Yoann; Kubicki, Marek","Polymeric CuX coordination compounds assembled by acetylenic thioether ligands RSCH2C≡CCH2R (R = C6H11, t-Bu): Effect of the RS-group, halide and stoichiometry on the network architecture and the luminescence properties","CrystEngComm","2024","","","","","10.1039/D4CE00173G","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0825","0.0573","","","0.1493","0.1673","","","","","","1.04","","","","has coordinates,has disorder","291864","2024-05-15","22:38:17",""
"7248622","11.8961","0.0004","18.938","0.0007","20.9008","0.0007","97.0884","0.0014","104.746","0.0013","104.317","0.0013","4324.1","0.3","250","0.1","250","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C64 H104 Cu8 I8 S8 -","- C64 H104 Cu8 I8 S8 -","- C128 H208 Cu16 I16 S16 -","2","1","","Knorr, Michael; Viau, Lydie; Knauer, Lena; Strohman, Carsten; Rousselin, Yoann; Kubicki, Marek","Polymeric CuX coordination compounds assembled by acetylenic thioether ligands RSCH2C≡CCH2R (R = C6H11, t-Bu): Effect of the RS-group, halide and stoichiometry on the network architecture and the luminescence properties","CrystEngComm","2024","","","","","10.1039/D4CE00173G","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0557","0.0397","","","0.0899","0.1021","","","","","","1.067","","","","has coordinates,has disorder","291864","2024-05-15","22:38:17",""
"7248623","11.8439","0.0004","18.8172","0.0005","20.8187","0.0006","97.3254","0.001","104.554","0.001","103.639","0.001","4277.4","0.2","200","0.1","200","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C64 H104 Cu8 I8 S8 -","- C64 H104 Cu8 I8 S8 -","- C128 H208 Cu16 I16 S16 -","2","1","","Knorr, Michael; Viau, Lydie; Knauer, Lena; Strohman, Carsten; Rousselin, Yoann; Kubicki, Marek","Polymeric CuX coordination compounds assembled by acetylenic thioether ligands RSCH2C≡CCH2R (R = C6H11, t-Bu): Effect of the RS-group, halide and stoichiometry on the network architecture and the luminescence properties","CrystEngComm","2024","","","","","10.1039/D4CE00173G","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0376","0.0309","","","0.067","0.0725","","","","","","1.08","","","","has coordinates,has disorder","291864","2024-05-15","22:38:17",""
"7248624","31.9681","0.0008","10.2932","0.0002","23.199","0.0007","90","","97.095","0.001","90","","7575.3","0.3","300","0.1","300","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H26 Cu I S2 -","- C16 H26 Cu I S2 -","- C256 H416 Cu16 I16 S32 -","16","2","","Knorr, Michael; Viau, Lydie; Knauer, Lena; Strohman, Carsten; Rousselin, Yoann; Kubicki, Marek","Polymeric CuX coordination compounds assembled by acetylenic thioether ligands RSCH2C≡CCH2R (R = C6H11, t-Bu): Effect of the RS-group, halide and stoichiometry on the network architecture and the luminescence properties","CrystEngComm","2024","","","","","10.1039/D4CE00173G","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0254","0.0198","","","0.0511","0.0527","","","","","","1.041","","","","has coordinates","291864","2024-05-15","22:38:17",""
"7248625","31.903","0.002","10.2246","0.0007","23.0547","0.0015","90","","96.911","0.002","90","","7465.7","0.8","220","0.1","220","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H26 Cu I S2 -","- C16 H26 Cu I S2 -","- C256 H416 Cu16 I16 S32 -","16","2","","Knorr, Michael; Viau, Lydie; Knauer, Lena; Strohman, Carsten; Rousselin, Yoann; Kubicki, Marek","Polymeric CuX coordination compounds assembled by acetylenic thioether ligands RSCH2C≡CCH2R (R = C6H11, t-Bu): Effect of the RS-group, halide and stoichiometry on the network architecture and the luminescence properties","CrystEngComm","2024","","","","","10.1039/D4CE00173G","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0171","0.0165","","","0.0411","0.0414","","","","","","1.163","","","","has coordinates","291864","2024-05-15","22:38:17",""
"7248626","31.932","0.002","10.2558","0.0007","23.1217","0.0016","90","","96.952","0.003","90","","7516.4","0.9","260","0.1","260","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H26 Cu I S2 -","- C16 H26 Cu I S2 -","- C256 H416 Cu16 I16 S32 -","16","2","","Knorr, Michael; Viau, Lydie; Knauer, Lena; Strohman, Carsten; Rousselin, Yoann; Kubicki, Marek","Polymeric CuX coordination compounds assembled by acetylenic thioether ligands RSCH2C≡CCH2R (R = C6H11, t-Bu): Effect of the RS-group, halide and stoichiometry on the network architecture and the luminescence properties","CrystEngComm","2024","","","","","10.1039/D4CE00173G","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0189","0.0177","","","0.0432","0.0438","","","","","","1.124","","","","has coordinates","291864","2024-05-15","22:38:17",""
"7248627","11.7692","0.0004","18.6908","0.0005","20.6753","0.0006","97.209","0.001","104.899","0.001","103.037","0.001","4199.8","0.2","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C64 H104 Cu8 I8 S8 -","- C64 H104 Cu8 I8 S8 -","- C128 H208 Cu16 I16 S16 -","2","1","","Knorr, Michael; Viau, Lydie; Knauer, Lena; Strohman, Carsten; Rousselin, Yoann; Kubicki, Marek","Polymeric CuX coordination compounds assembled by acetylenic thioether ligands RSCH2C≡CCH2R (R = C6H11, t-Bu): Effect of the RS-group, halide and stoichiometry on the network architecture and the luminescence properties","CrystEngComm","2024","","","","","10.1039/D4CE00173G","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0335","0.0288","","","0.0571","0.0601","","","","","","1.025","","","","has coordinates,has disorder","291864","2024-05-15","22:38:17",""
"7248628","31.8836","0.0012","10.19","0.0004","22.9758","0.0009","90","","96.839","0.001","90","","7411.6","0.5","180","0.1","180","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H26 Cu I S2 -","- C16 H26 Cu I S2 -","- C256 H416 Cu16 I16 S32 -","16","2","","Knorr, Michael; Viau, Lydie; Knauer, Lena; Strohman, Carsten; Rousselin, Yoann; Kubicki, Marek","Polymeric CuX coordination compounds assembled by acetylenic thioether ligands RSCH2C≡CCH2R (R = C6H11, t-Bu): Effect of the RS-group, halide and stoichiometry on the network architecture and the luminescence properties","CrystEngComm","2024","","","","","10.1039/D4CE00173G","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0169","0.0165","","","0.0401","0.0403","","","","","","1.157","","","","has coordinates","291864","2024-05-15","22:38:17",""
"7248629","9.1382","0.0011","9.9911","0.0008","11.27","0.001","65.156","0.004","70.131","0.004","84.401","0.005","876.92","0.15","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C12 H22 Br2 Cu S2 -","- C12 H22 Br2 Cu S2 -","- C24 H44 Br4 Cu2 S4 -","2","1","","Knorr, Michael; Viau, Lydie; Knauer, Lena; Strohman, Carsten; Rousselin, Yoann; Kubicki, Marek","Polymeric CuX coordination compounds assembled by acetylenic thioether ligands RSCH2C≡CCH2R (R = C6H11, t-Bu): Effect of the RS-group, halide and stoichiometry on the network architecture and the luminescence properties","CrystEngComm","2024","","","","","10.1039/D4CE00173G","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0216","0.0197","","","0.047","0.0479","","","","","","1.048","","","","has coordinates","291864","2024-05-15","22:38:17",""
"7248630","31.839","0.002","10.1369","0.0007","22.8562","0.0015","90","","96.789","0.002","90","","7325.1","0.8","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H26 Cu I S2 -","- C16 H26 Cu I S2 -","- C256 H416 Cu16 I16 S32 -","16","2","","Knorr, Michael; Viau, Lydie; Knauer, Lena; Strohman, Carsten; Rousselin, Yoann; Kubicki, Marek","Polymeric CuX coordination compounds assembled by acetylenic thioether ligands RSCH2C≡CCH2R (R = C6H11, t-Bu): Effect of the RS-group, halide and stoichiometry on the network architecture and the luminescence properties","CrystEngComm","2024","","","","","10.1039/D4CE00173G","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0163","0.0161","","","0.0388","0.0389","","","","","","1.169","","","","has coordinates","291864","2024-05-15","22:38:17",""
"7248631","11.7999","0.0004","18.7275","0.0005","20.7647","0.0006","97.4108","0.001","104.635","0.001","103.105","0.001","4238.8","0.2","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C64 H104 Cu8 I8 S8 -","- C64 H104 Cu8 I8 S8 -","- C128 H208 Cu16 I16 S16 -","2","1","","Knorr, Michael; Viau, Lydie; Knauer, Lena; Strohman, Carsten; Rousselin, Yoann; Kubicki, Marek","Polymeric CuX coordination compounds assembled by acetylenic thioether ligands RSCH2C≡CCH2R (R = C6H11, t-Bu): Effect of the RS-group, halide and stoichiometry on the network architecture and the luminescence properties","CrystEngComm","2024","","","","","10.1039/D4CE00173G","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0334","0.0289","","","0.0568","0.0604","","","","","","1.086","","","","has coordinates,has disorder","291864","2024-05-15","22:38:17",""
"7248632","3.68025","0.00019","9.5291","0.0006","13.5746","0.0007","83.751","0.005","87.678","0.004","81.873","0.005","468.32","0.05","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C3 H2 N2 O2 S -","- C3 H2 N2 O2 S -","- C12 H8 N8 O8 S4 -","4","2","","Alfuth, Jan; Czapik, Agnieszka; Zadykowicz, Beata; Olszewska, Teresa","Hydrogen and chalcogen bonds in crystals of chalcogenadiazolecarboxylic acids – competition or cooperation?","CrystEngComm","2024","","","","","10.1039/D4CE00273C","","","1.54184","CuKα","","0.0459","0.0455","","","0.1346","0.1351","","","","","","1.094","","","","has coordinates","291943","2024-05-17","22:36:44",""
"7248633","3.70347","0.00015","6.3835","0.0003","29.2533","0.0011","90","","92.866","0.004","90","","690.72","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H4 N2 O2 S -","- C7 H4 N2 O2 S -","- C28 H16 N8 O8 S4 -","4","1","","Alfuth, Jan; Czapik, Agnieszka; Zadykowicz, Beata; Olszewska, Teresa","Hydrogen and chalcogen bonds in crystals of chalcogenadiazolecarboxylic acids – competition or cooperation?","CrystEngComm","2024","","","","","10.1039/D4CE00273C","","","0.71073","MoKα","","0.0508","0.0404","","","0.0766","0.0806","","","","","","1.089","","","","has coordinates","291943","2024-05-17","22:36:45",""
"7248634","3.922","0.0001","17.4283","0.0004","11.878","0.0003","90","","91.753","0.002","90","","811.53","0.03","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H6 N2 O2 S -","- C8 H6 N2 O2 S -","- C32 H24 N8 O8 S4 -","4","1","","Alfuth, Jan; Czapik, Agnieszka; Zadykowicz, Beata; Olszewska, Teresa","Hydrogen and chalcogen bonds in crystals of chalcogenadiazolecarboxylic acids – competition or cooperation?","CrystEngComm","2024","","","","","10.1039/D4CE00273C","","","1.54184","CuKα","","0.0363","0.0317","","","0.084","0.0887","","","","","","1.051","","","","has coordinates","291943","2024-05-17","22:36:45",""
"7248635","20.3375","0.0006","3.81288","0.0001","22.5207","0.0007","90","","109.866","0.003","90","","1642.43","0.09","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 N2 O2 S -","- C8 H6 N2 O2 S -","- C64 H48 N16 O16 S8 -","8","2","","Alfuth, Jan; Czapik, Agnieszka; Zadykowicz, Beata; Olszewska, Teresa","Hydrogen and chalcogen bonds in crystals of chalcogenadiazolecarboxylic acids – competition or cooperation?","CrystEngComm","2024","","","","","10.1039/D4CE00273C","","","1.54184","CuKα","","0.0446","0.0388","","","0.1018","0.1068","","","","","","1.042","","","","has coordinates","291943","2024-05-17","22:36:45",""
"7248636","6.9301","0.0004","7.3617","0.0004","8.2491","0.0004","91.5","0.005","107.919","0.005","115.929","0.006","353.72","0.04","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H4 N2 O2 S -","- C7 H4 N2 O2 S -","- C14 H8 N4 O4 S2 -","2","1","","Alfuth, Jan; Czapik, Agnieszka; Zadykowicz, Beata; Olszewska, Teresa","Hydrogen and chalcogen bonds in crystals of chalcogenadiazolecarboxylic acids – competition or cooperation?","CrystEngComm","2024","","","","","10.1039/D4CE00273C","","x-ray","1.54184","CuKα","","0.0369","0.0347","","","0.0951","0.0965","","","","","","1.062","","","","has coordinates","291943","2024-05-17","22:36:45",""
"7248637","10.02071","0.00014","3.83488","0.00005","21.0716","0.0003","90","","95.3939","0.0013","90","","806.159","0.019","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H6 N2 O2 Se -","- C8 H6 N2 O2 Se -","- C32 H24 N8 O8 Se4 -","4","1","","Alfuth, Jan; Czapik, Agnieszka; Zadykowicz, Beata; Olszewska, Teresa","Hydrogen and chalcogen bonds in crystals of chalcogenadiazolecarboxylic acids – competition or cooperation?","CrystEngComm","2024","","","","","10.1039/D4CE00273C","","","1.54184","CuKα","","0.0232","0.0225","","","0.0585","0.0592","","","","","","1.078","","","","has coordinates","291943","2024-05-17","22:36:46",""
"7248638","12.8823","0.0006","3.76622","0.00018","15.6812","0.0008","90","","112.529","0.006","90","","702.75","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H4 N2 O2 Se -","- C7 H4 N2 O2 Se -","- C28 H16 N8 O8 Se4 -","4","1","","Alfuth, Jan; Czapik, Agnieszka; Zadykowicz, Beata; Olszewska, Teresa","Hydrogen and chalcogen bonds in crystals of chalcogenadiazolecarboxylic acids – competition or cooperation?","CrystEngComm","2024","","","","","10.1039/D4CE00273C","","","0.71073","MoKα","","0.051","0.0376","","","0.0768","0.0832","","","","","","1.051","","","","has coordinates","291943","2024-05-17","22:36:46",""
"7248639","3.97381","0.0001","6.41163","0.00017","33.4053","0.0007","90","","92.357","0.002","90","","850.4","0.04","130","","130","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H6 N2 O2 Se -","- C8 H6 N2 O2 Se -","- C32 H24 N8 O8 Se4 -","4","1","","Alfuth, Jan; Czapik, Agnieszka; Zadykowicz, Beata; Olszewska, Teresa","Hydrogen and chalcogen bonds in crystals of chalcogenadiazolecarboxylic acids – competition or cooperation?","CrystEngComm","2024","","","","","10.1039/D4CE00273C","","x-ray","1.54184","CuKα","","0.0486","0.0476","","","0.1122","0.1142","","","","","","1.211","","","","has coordinates","291943","2024-05-17","22:36:46",""
"7248640","8.0711","0.0003","7.5844","0.0002","12.2026","0.0004","90","","105.733","0.003","90","","718.99","0.04","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H4 N2 O2 Se -","- C7 H4 N2 O2 Se -","- C28 H16 N8 O8 Se4 -","4","1","","Alfuth, Jan; Czapik, Agnieszka; Zadykowicz, Beata; Olszewska, Teresa","Hydrogen and chalcogen bonds in crystals of chalcogenadiazolecarboxylic acids – competition or cooperation?","CrystEngComm","2024","","","","","10.1039/D4CE00273C","","","1.54184","CuKα","","0.0421","0.041","","","0.1097","0.1106","","","","","","1.196","","","","has coordinates","291943","2024-05-17","22:36:46",""
"7248648","10.3627","0.0006","18.5962","0.0011","16.5939","0.001","90","","106.222","0.002","90","","3070.4","0.3","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H28 Cu2 N8 O42 S2 W10 -","- C28 H42 Cu2 N8 O42 S2 W10 -","- C56 H84 Cu4 N16 O84 S4 W20 -","2","0.5","","Wang, Meiyin; Jia, Chunbo; Hui, Hehua; Xu, Qianxiang; Li, Xiang; Ren, Yuanhang; Yue, Bin; He, Heyong","Engineering the heterogeneous photocatalytic activity of crystalline decatungstate-based coordination polymers","CrystEngComm","2024","","","","","10.1039/D4CE00391H","","","1.34138","GaKα","","0.0499","0.0379","","","0.0797","0.0855","","","","","","1.044","","","","has coordinates,has disorder","291961","2024-05-20","22:37:08",""
"7248649","10.8085","0.0004","16.8447","0.0006","18.0408","0.0007","90","","106.909","0.002","90","","3142.6","0.2","284","2","284","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H40 Cu2 N8 O38 S4 W10 -","- C32 H40 Cu2 N8 O38 S4 W10 -","- C64 H80 Cu4 N16 O76 S8 W20 -","2","0.5","","Wang, Meiyin; Jia, Chunbo; Hui, Hehua; Xu, Qianxiang; Li, Xiang; Ren, Yuanhang; Yue, Bin; He, Heyong","Engineering the heterogeneous photocatalytic activity of crystalline decatungstate-based coordination polymers","CrystEngComm","2024","","","","","10.1039/D4CE00391H","","","1.34138","GaKα","","0.0422","0.0362","","","0.0858","0.089","","","","","","1.1","","","","has coordinates,has disorder","291961","2024-05-20","22:37:09",""
"7248650","16.7303","0.0008","17.5503","0.0008","18.9281","0.0009","90","","90","","90","","5557.7","0.5","226","2","226","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H33 Cu2 N8 O32.5 W10 -","- C40 H33 Cu2 N8 O32.5 W10 -","- C160 H132 Cu8 N32 O130 W40 -","4","0.5","","Wang, Meiyin; Jia, Chunbo; Hui, Hehua; Xu, Qianxiang; Li, Xiang; Ren, Yuanhang; Yue, Bin; He, Heyong","Engineering the heterogeneous photocatalytic activity of crystalline decatungstate-based coordination polymers","CrystEngComm","2024","","","","","10.1039/D4CE00391H","","","1.34138","GaKα","","0.0373","0.0297","","","0.0673","0.0704","","","","","","1.079","","","","has coordinates","291961","2024-05-20","22:37:09",""
"7248651","15.4754","0.0004","20.748","0.0006","22.0378","0.0005","90","","90.783","0.001","90","","7075.3","0.3","304","2","304","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H66 Cu N7 O34 S W10 -","- C48 H66 Cu N7 O34 S W10 -","- C192 H264 Cu4 N28 O136 S4 W40 -","4","1","","Wang, Meiyin; Jia, Chunbo; Hui, Hehua; Xu, Qianxiang; Li, Xiang; Ren, Yuanhang; Yue, Bin; He, Heyong","Engineering the heterogeneous photocatalytic activity of crystalline decatungstate-based coordination polymers","CrystEngComm","2024","","","","","10.1039/D4CE00391H","","","0.71073","MoKα","","0.0506","0.0394","","","0.0865","0.0916","","","","","","1.067","","","","has coordinates,has disorder","291961","2024-05-20","22:37:09",""
"7248652","5.4941","0.0002","9.8998","0.0003","12.7267","0.0005","82.824","0.003","80.97","0.003","75.189","0.003","658.31","0.04","120.01","0.1","120.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C11 H10 Ag F5 O3 -","- C11 H10 Ag F5 O3 -","- C22 H20 Ag2 F10 O6 -","2","1","","Ward, Jas S.","The Atypical Solubility of Silver(I) Pentafluorobenzoate and its Use as a Catch-and-Release Agent","CrystEngComm","2024","","","","","10.1039/D4CE00441H","","x-ray","1.54184","CuKα","","0.0472","0.0452","","","0.1292","0.1311","","","","","","1.072","","","","has coordinates,has disorder","291962","2024-05-20","22:38:35",""
"7248653","14.4142","0.0001","23.8477","0.0001","15.1372","0.0001","90","","93.326","0.001","90","","5194.58","0.05","120.01","0.1","120.01","0.1","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C46 H36 Ag4 F20 O17 -","- C46 H36 Ag4 F20 O17 -","- C184 H144 Ag16 F80 O68 -","4","1","","Ward, Jas S.","The Atypical Solubility of Silver(I) Pentafluorobenzoate and its Use as a Catch-and-Release Agent","CrystEngComm","2024","","","","","10.1039/D4CE00441H","","x-ray","1.54184","CuKα","","0.0219","0.0197","","","0.0524","0.0535","","","","","","1.077","","","","has coordinates,has disorder","291962","2024-05-20","22:38:35",""
"7248654","5.59808","0.00005","10.23969","0.0001","12.79989","0.0001","97.6393","0.0007","96.3916","0.0007","102.328","0.0007","703.009","0.011","120.01","0.1","120.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C12 H12 Ag F5 O3 -","- C12 H12 Ag F5 O3 -","- C24 H24 Ag2 F10 O6 -","2","1","","Ward, Jas S.","The Atypical Solubility of Silver(I) Pentafluorobenzoate and its Use as a Catch-and-Release Agent","CrystEngComm","2024","","","","","10.1039/D4CE00441H","","x-ray","1.54184","CuKα","","0.0138","0.0135","","","0.0327","0.0328","","","","","","1.055","","","","has coordinates","291962","2024-05-20","22:38:35",""
"7248655","17.79831","0.00019","5.58069","0.00005","25.9618","0.0002","90","","104.576","0.001","90","","2495.71","0.04","120.01","0.1","120.01","0.1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C24 H14 Ag2 F10 O5 -","- C24.001 H14.0025 Ag2 F10 O5 -","- C96.004 H56.01 Ag8 F40 O20 -","4","1","","Ward, Jas S.","The Atypical Solubility of Silver(I) Pentafluorobenzoate and its Use as a Catch-and-Release Agent","CrystEngComm","2024","","","","","10.1039/D4CE00441H","","x-ray","1.54184","CuKα","","0.0237","0.0216","","","0.0514","0.0525","","","","","","1.024","","","","has coordinates,has disorder","291962","2024-05-20","22:38:35",""
"7248656","5.695","0.0001","17.0008","0.0003","14.7939","0.0003","90","","97.036","0.002","90","","1421.55","0.05","120","0.1","120","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 Ag F5 O2 -","- C15 H10 Ag F5 O2 -","- C60 H40 Ag4 F20 O8 -","4","1","","Ward, Jas S.","The Atypical Solubility of Silver(I) Pentafluorobenzoate and its Use as a Catch-and-Release Agent","CrystEngComm","2024","","","","","10.1039/D4CE00441H","","x-ray","1.54184","CuKα","","0.026","0.0232","","","0.0579","0.0592","","","","","","1.052","","","","has coordinates","291962","2024-05-20","22:38:36",""
"7248657","5.5552","0.0002","16.061","0.0007","20.9338","0.0006","74.645","0.003","89.103","0.003","80.35","0.003","1774.79","0.12","120","2","120","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H6 Ag4 F20 O10 -","- C31 H6 Ag4 F20 O10 -","- C62 H12 Ag8 F40 O20 -","2","1","","Ward, Jas S.","The Atypical Solubility of Silver(I) Pentafluorobenzoate and its Use as a Catch-and-Release Agent","CrystEngComm","2024","","","","","10.1039/D4CE00441H","","x-ray","1.54184","CuKα","","0.0905","0.0465","","","0.0809","0.0924","","","","","","1.011","","","","has coordinates","291962","2024-05-20","22:38:36",""
"7248658","5.69188","0.00013","12.5817","0.0003","17.9282","0.0006","105.107","0.003","90.214","0.002","90.163","0.002","1239.51","0.06","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C26 H12 Ag2 F10 O4 -","- C26 H12 Ag2 F10 O4 -","- C52 H24 Ag4 F20 O8 -","2","1","","Ward, Jas S.","The Atypical Solubility of Silver(I) Pentafluorobenzoate and its Use as a Catch-and-Release Agent","CrystEngComm","2024","","","","","10.1039/D4CE00441H","","x-ray","1.54184","CuKα","","0.0532","0.044","","","0.1057","0.1091","","","","","","1.148","","","","has coordinates","291962","2024-05-20","22:38:36",""
"7248659","13.9355","0.0002","5.5125","0.0001","22.5133","0.0002","90","","93.604","0.001","90","","1726.04","0.04","120","0.1","120","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 Ag F5 O3 -","- C17 H16 Ag F5 O3 -","- C68 H64 Ag4 F20 O12 -","4","1","","Ward, Jas S.","The Atypical Solubility of Silver(I) Pentafluorobenzoate and its Use as a Catch-and-Release Agent","CrystEngComm","2024","","","","","10.1039/D4CE00441H","","x-ray","1.54184","CuKα","","0.0317","0.0266","","","0.0585","0.0602","","","","","","1.046","","","","has coordinates","291962","2024-05-20","22:38:36",""
"7248660","7.2534","0.0003","11.0121","0.0005","13.8225","0.0006","85.841","0.004","85.713","0.003","84.263","0.003","1093.11","0.08","120","0.11","120","0.11","","","","","","","","5","P -1","-P 1","2","","","","- C50 H40 Ag2 F10 O8 -","- C50 H40 Ag2 F10 O8 -","- C50 H40 Ag2 F10 O8 -","1","0.5","","Ward, Jas S.","The Atypical Solubility of Silver(I) Pentafluorobenzoate and its Use as a Catch-and-Release Agent","CrystEngComm","2024","","","","","10.1039/D4CE00441H","","x-ray","1.54184","CuKα","","0.0445","0.0355","","","0.0756","0.0793","","","","","","1.049","","","","has coordinates,has disorder","291962","2024-05-20","22:38:36",""
"7248661","5.5278","0.0001","8.6031","0.0001","13.1699","0.0002","103.225","0.001","94.823","0.002","100.843","0.002","593.499","0.017","120.01","0.1","120.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C11 H8 Ag F5 O3 -","- C11 H8 Ag F5 O3 -","- C22 H16 Ag2 F10 O6 -","2","1","","Ward, Jas S.","The Atypical Solubility of Silver(I) Pentafluorobenzoate and its Use as a Catch-and-Release Agent","CrystEngComm","2024","","","","","10.1039/D4CE00441H","","x-ray","1.54184","CuKα","","0.0167","0.0163","","","0.0421","0.0422","","","","","","1.116","","","","has coordinates","291962","2024-05-20","22:38:36",""
"7248662","12.4062","0.0003","13.45738","0.00019","13.9666","0.0003","85.3721","0.0016","70.664","0.002","86.9586","0.0016","2192.23","0.08","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C41 H36 Ag3 F15 O8 -","- C41 H36 Ag3 F15 O8 -","- C82 H72 Ag6 F30 O16 -","2","1","","Ward, Jas S.","The Atypical Solubility of Silver(I) Pentafluorobenzoate and its Use as a Catch-and-Release Agent","CrystEngComm","2024","","","","","10.1039/D4CE00441H","","x-ray","1.54184","CuKα","","0.0319","0.0306","","","0.0793","0.0802","","","","","","1.028","","","","has coordinates,has disorder","291962","2024-05-20","22:38:36",""
"7248663","5.6097","0.0001","55.4509","0.0015","13.6451","0.0004","90","","97.194","0.002","90","","4211.07","0.18","120.01","0.1","120.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H16 Ag4 F20 O8 -","- C42 H16 Ag4 F20 O8 -","- C168 H64 Ag16 F80 O32 -","4","1","","Ward, Jas S.","The Atypical Solubility of Silver(I) Pentafluorobenzoate and its Use as a Catch-and-Release Agent","CrystEngComm","2024","","","","","10.1039/D4CE00441H","","x-ray","1.54184","CuKα","","0.0662","0.0528","","","0.1267","0.1333","","","","","","1.047","","","","has coordinates","291962","2024-05-20","22:38:37",""
"7248664","5.51822","0.00013","9.8945","0.0005","13.0489","0.0003","75.275","0.003","85.88","0.002","79.845","0.003","678","0.04","120","2","120","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 Ag F5 O3 -","- C12 H10 Ag F5 O3 -","- C24 H20 Ag2 F10 O6 -","2","1","","Ward, Jas S.","The Atypical Solubility of Silver(I) Pentafluorobenzoate and its Use as a Catch-and-Release Agent","CrystEngComm","2024","","","","","10.1039/D4CE00441H","","x-ray","1.54184","CuKα","","0.0413","0.0373","","","0.1027","0.1058","","","","","","1.093","","","","has coordinates,has disorder","291962","2024-05-20","22:38:37",""
"7248665","6.9141","0.0003","5.561","0.0002","37.1068","0.0011","90","","93.837","0.003","90","","1423.53","0.09","120","2","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H5 Ag2 F5 O4 -","- C14 H5 Ag2 F5 O4 -","- C56 H20 Ag8 F20 O16 -","4","1","","Ward, Jas S.","The Atypical Solubility of Silver(I) Pentafluorobenzoate and its Use as a Catch-and-Release Agent","CrystEngComm","2024","","","","","10.1039/D4CE00441H","","x-ray","1.54184","CuKα","","0.06","0.047","","","0.1143","0.1201","","","","","","1.04","","","","has coordinates","291962","2024-05-20","22:38:37",""
"7248666","14.608","0.0004","9.2325","0.0002","18.5937","0.0004","90","","103.76","0.002","90","","2435.73","0.1","120.01","0.1","120.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H10 Ag2 F10 O5 -","- C26 H10 Ag2 F10 O5 -","- C104 H40 Ag8 F40 O20 -","4","1","","Ward, Jas S.","The Atypical Solubility of Silver(I) Pentafluorobenzoate and its Use as a Catch-and-Release Agent","CrystEngComm","2024","","","","","10.1039/D4CE00441H","","x-ray","1.54184","CuKα","","0.0444","0.0332","","","0.075","0.0792","","","","","","1.023","","","","has coordinates","291962","2024-05-20","22:38:37",""
"7248675","9.4328","0.0002","9.8482","0.0003","18.3159","0.0007","90.907","0.003","94.232","0.002","90.018","0.002","1696.62","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H38 Cl4 N4 O7 -","- C31 H38 Cl4 N4 O7 -","- C62 H76 Cl8 N8 O14 -","2","1","","Breckell, Jaxon; Conte, Luke; Potts, Michael; Sawant, Pradnya; Butcher, R. J.; Vernekar, Beena K.; Richardson, Christopher","New diclofenac salts with the dense hydrogen bond donor propane-1,3-diaminium","CrystEngComm","2024","","","","","10.1039/D4CE00397G","","","0.71073","MoKα","","0.0807","0.0437","","","0.0981","0.1116","","","","","","1.041","","","","has coordinates","292017","2024-05-24","22:30:38",""
"7248676","9.6753","0.0003","9.9173","0.0003","19.001","0.0005","88.365","0.002","79.728","0.003","88.551","0.003","1792.87","0.09","294","1","294","1","","","","","","","","5","P -1","-P 1","2","","","","- C33 H40 Cl4 N4 O6 -","- C33 H40 Cl4 N4 O6 -","- C66 H80 Cl8 N8 O12 -","2","1","","Breckell, Jaxon; Conte, Luke; Potts, Michael; Sawant, Pradnya; Butcher, R. J.; Vernekar, Beena K.; Richardson, Christopher","New diclofenac salts with the dense hydrogen bond donor propane-1,3-diaminium","CrystEngComm","2024","","","","","10.1039/D4CE00397G","","","0.71073","MoKα","","0.0629","0.0438","","","0.1159","0.1265","","","","","","1.035","","","","has coordinates,has disorder","292017","2024-05-24","22:30:39",""
"7248677","9.488","0.0003","9.7666","0.0003","18.9486","0.0007","88.206","0.003","78.488","0.003","88.798","0.003","1719.52","0.1","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C34 H40 Cl4 N4 O5 -","- C34 H40 Cl4 N4 O5 -","- C68 H80 Cl8 N8 O10 -","2","1","","Breckell, Jaxon; Conte, Luke; Potts, Michael; Sawant, Pradnya; Butcher, R. J.; Vernekar, Beena K.; Richardson, Christopher","New diclofenac salts with the dense hydrogen bond donor propane-1,3-diaminium","CrystEngComm","2024","","","","","10.1039/D4CE00397G","","x-ray","1.54184","CuKα","","0.0916","0.077","","","0.2267","0.2583","","","","","","1.083","","","","has coordinates,has disorder","292017","2024-05-24","22:30:39",""
"7248678","9.6066","0.0005","43.035","0.002","9.7812","0.0005","90","","90","","90","","4043.7","0.3","294","1","294","1","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C35 H44 Cl4 N4 O6 S2 -","- C35 H44 Cl4 N4 O6 S2 -","- C140 H176 Cl16 N16 O24 S8 -","4","0.5","","Breckell, Jaxon; Conte, Luke; Potts, Michael; Sawant, Pradnya; Butcher, R. J.; Vernekar, Beena K.; Richardson, Christopher","New diclofenac salts with the dense hydrogen bond donor propane-1,3-diaminium","CrystEngComm","2024","","","","","10.1039/D4CE00397G","","","0.71073","MoKα","","0.1096","0.0665","","","0.1711","0.191","","","","","","1.045","","","","has coordinates,has disorder","292017","2024-05-24","22:30:39",""
"7248679","9.4529","0.0004","10.1381","0.0002","19.0267","0.0006","84.791","0.002","89.345","0.003","88.234","0.002","1814.95","0.1","294","1","294","1","","","","","","","","5","P -1","-P 1","2","","","","- C33.01 H42.01 Cl4 N4 O7 -","- C33.004 H42.012 Cl4 N4 O7.002 -","- C66.008 H84.024 Cl8 N8 O14.004 -","2","1","","Breckell, Jaxon; Conte, Luke; Potts, Michael; Sawant, Pradnya; Butcher, R. J.; Vernekar, Beena K.; Richardson, Christopher","New diclofenac salts with the dense hydrogen bond donor propane-1,3-diaminium","CrystEngComm","2024","","","","","10.1039/D4CE00397G","","x-ray","0.71073","MoKα","","0.1","0.0615","","","0.1762","0.2059","","","","","","1.042","","","","has coordinates,has disorder","292017","2024-05-24","22:30:40",""
"7248680","9.3574","0.0001","36.5523","0.0005","10.2282","0.0002","90","","90.134","0.001","90","","3498.39","0.09","295","1","295","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H40 Cl4 N4 O8 -","- C31 H40 Cl4 N4 O8 -","- C124 H160 Cl16 N16 O32 -","4","2","","Breckell, Jaxon; Conte, Luke; Potts, Michael; Sawant, Pradnya; Butcher, R. J.; Vernekar, Beena K.; Richardson, Christopher","New diclofenac salts with the dense hydrogen bond donor propane-1,3-diaminium","CrystEngComm","2024","","","","","10.1039/D4CE00397G","","","0.71073","MoKα","","0.0474","0.0336","","","0.0756","0.081","","","","","","1.029","","","","has coordinates,has disorder","292017","2024-05-24","22:30:40",""
"7248686","25.679","0.007","11.127","0.003","12.959","0.004","90","","96.868","0.003","90","","3676.2","1.8","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H24 Na O10 Re -","- C12 H24 Na O10 Re -","- C96 H192 Na8 O80 Re8 -","8","1","","Yuan, Guo-Jun; Pan, Xue-Wei; Gao, Yan; Jiang, You-Fang; Li, Li; Ren, Xiaoming","Comprehensively understanding the distinct properties of crystal structure, phase transition and dielectrics in [M(crown)n]ReO4 (M+ = Na+, K+, NH4+; crown = 15-crown-5, 18-crown-6; n = 1 or 2)","CrystEngComm","2024","","","","","10.1039/D4CE00435C","","","0.71073","MoKα","","0.0473","0.039","","","0.1031","0.1087","","","","","","1.083","","","","has coordinates,has disorder","292041","2024-05-25","22:40:06",""
"7248687","9.1","0.003","9.1","0.003","17.743","0.006","90","","90","","90","","1469.3","0.8","296","2","296.15","","","","","","","","","5","P 42/m","-P 4c","84","","","","- C20 H44 N O14 Re -","- C20 H44 N O14 Re -","- C40 H88 N2 O28 Re2 -","2","0.25","","Yuan, Guo-Jun; Pan, Xue-Wei; Gao, Yan; Jiang, You-Fang; Li, Li; Ren, Xiaoming","Comprehensively understanding the distinct properties of crystal structure, phase transition and dielectrics in [M(crown)n]ReO4 (M+ = Na+, K+, NH4+; crown = 15-crown-5, 18-crown-6; n = 1 or 2)","CrystEngComm","2024","","","","","10.1039/D4CE00435C","","","0.71073","MoKα","","0.1333","0.0838","","","0.2257","0.2607","","","","","","1.086","","","","has coordinates,has disorder","292041","2024-05-25","22:40:07",""
"7248688","8.3113","0.0002","15.5506","0.0004","14.6792","0.0004","90","","90","","90","","1897.22","0.08","108","2","108.15","","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C24 H48 K2 O20 Re2 -","- C24 H48 K2 O20 Re2 -","- C48 H96 K4 O40 Re4 -","2","0.25","","Yuan, Guo-Jun; Pan, Xue-Wei; Gao, Yan; Jiang, You-Fang; Li, Li; Ren, Xiaoming","Comprehensively understanding the distinct properties of crystal structure, phase transition and dielectrics in [M(crown)n]ReO4 (M+ = Na+, K+, NH4+; crown = 15-crown-5, 18-crown-6; n = 1 or 2)","CrystEngComm","2024","","","","","10.1039/D4CE00435C","","","0.71073","MoKα","","0.0451","0.0437","","","0.122","0.1226","","","","","","1.312","","","","has coordinates,has disorder","292041","2024-05-25","22:40:07",""
"7248689","8.382","0.005","15.736","0.008","14.815","0.008","90","","90","","90","","1954.1","1.9","296","2","296.15","","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C24 H48 K2 O20 Re2 -","- C24 H48 K2 O20 Re2 -","- C48 H96 K4 O40 Re4 -","2","0.25","","Yuan, Guo-Jun; Pan, Xue-Wei; Gao, Yan; Jiang, You-Fang; Li, Li; Ren, Xiaoming","Comprehensively understanding the distinct properties of crystal structure, phase transition and dielectrics in [M(crown)n]ReO4 (M+ = Na+, K+, NH4+; crown = 15-crown-5, 18-crown-6; n = 1 or 2)","CrystEngComm","2024","","","","","10.1039/D4CE00435C","","","0.71073","MoKα","","0.0536","0.0501","","","0.13","0.1314","","","","","","1.298","","","","has coordinates,has disorder","292041","2024-05-25","22:40:08",""
"7248690","8.7695","0.0003","8.9474","0.0003","17.6798","0.0005","83.446","0.001","88.652","0.001","87.634","0.001","1376.74","0.08","108","2","108.15","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H48 N O14 Re -","- C20 H48 N O14 Re -","- C40 H96 N2 O28 Re2 -","2","1","","Yuan, Guo-Jun; Pan, Xue-Wei; Gao, Yan; Jiang, You-Fang; Li, Li; Ren, Xiaoming","Comprehensively understanding the distinct properties of crystal structure, phase transition and dielectrics in [M(crown)n]ReO4 (M+ = Na+, K+, NH4+; crown = 15-crown-5, 18-crown-6; n = 1 or 2)","CrystEngComm","2024","","","","","10.1039/D4CE00435C","","","0.71073","MoKα","","0.064","0.0485","","","0.1016","0.1084","","","","","","1.027","","","","has coordinates,has disorder","292041","2024-05-25","22:40:08",""
"7248691","12.7794","0.0018","8.1003","0.0012","19.956","0.003","90","","90","","90","","2065.8","0.5","140","","140","","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C20 H24 Br2 N2 O -","- C20 H23.5 Br2 N2 O -","- C80 H94 Br8 N8 O4 -","4","0.5","","Dudko, Ekaterina M.; Buikin, Petr А.; Ilyukhin, Andrey; Korlyukov, Alexander; Dorovatovskii, Pavel; Simonenko, Nikolay P.; Kotov, Vitalii Yu.","Thermal decomposition of DMSO or DMF solvates: an advanced method for obtaining new hybrid bismuth(III) halides","CrystEngComm","2024","","","","","10.1039/D4CE00279B","","","0.71073","MoKα","","0.061","0.0357","","","0.0806","0.0846","","","","","","1.04","","","","has coordinates,has disorder","292056","2024-05-27","22:38:13",""
"7248692","6.8222","0.0005","11.0457","0.0008","12.1817","0.0009","90","","94.692","0.002","90","","914.89","0.12","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 I2 N2 -","- C18 H18 I2 N2 -","- C36 H36 I4 N4 -","2","0.5","","Dudko, Ekaterina M.; Buikin, Petr А.; Ilyukhin, Andrey; Korlyukov, Alexander; Dorovatovskii, Pavel; Simonenko, Nikolay P.; Kotov, Vitalii Yu.","Thermal decomposition of DMSO or DMF solvates: an advanced method for obtaining new hybrid bismuth(III) halides","CrystEngComm","2024","","","","","10.1039/D4CE00279B","","","0.71073","MoKα","","0.0299","0.0274","","","0.0689","0.0699","","","","","","1.115","","","","has coordinates","292056","2024-05-27","22:38:14",""
"7248693","16.9076","0.0007","15.1942","0.0007","13.5491","0.0006","90","","125.455","0.001","90","","2835.3","0.2","100","2","100","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C42 H54 Bi I7 N4 O3 S3 -","- C42 H54 Bi I7 N4 O3 S3 -","- C84 H108 Bi2 I14 N8 O6 S6 -","2","0.25","","Dudko, Ekaterina M.; Buikin, Petr А.; Ilyukhin, Andrey; Korlyukov, Alexander; Dorovatovskii, Pavel; Simonenko, Nikolay P.; Kotov, Vitalii Yu.","Thermal decomposition of DMSO or DMF solvates: an advanced method for obtaining new hybrid bismuth(III) halides","CrystEngComm","2024","","","","","10.1039/D4CE00279B","","","0.71073","MoKα","","0.0261","0.0215","","","0.0466","0.0484","","","","","","0.971","","","","has coordinates,has disorder","292056","2024-05-27","22:38:14",""
"7248694","16.5194","0.0009","14.5925","0.0009","13.2748","0.0007","90","","125.29","0.001","90","","2612","0.3","100","2","100","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C42 H54 Bi Br7 N4 O3 S3 -","- C42 H54 Bi Br7 N4 O3 S3 -","- C84 H108 Bi2 Br14 N8 O6 S6 -","2","0.25","","Dudko, Ekaterina M.; Buikin, Petr А.; Ilyukhin, Andrey; Korlyukov, Alexander; Dorovatovskii, Pavel; Simonenko, Nikolay P.; Kotov, Vitalii Yu.","Thermal decomposition of DMSO or DMF solvates: an advanced method for obtaining new hybrid bismuth(III) halides","CrystEngComm","2024","","","","","10.1039/D4CE00279B","","","0.71073","MoKα","","0.0315","0.0259","","","0.0579","0.0601","","","","","","0.993","","","","has coordinates,has disorder","292056","2024-05-27","22:38:15",""
"7248695","10.4022","0.0005","12.5641","0.0007","19.9063","0.001","94.466","0.002","103.253","0.001","112.57","0.001","2298.2","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H34 Bi2 I9 N4 O -","- C30 H34 Bi2 I9 N4 O -","- C60 H68 Bi4 I18 N8 O2 -","2","1","","Dudko, Ekaterina M.; Buikin, Petr А.; Ilyukhin, Andrey; Korlyukov, Alexander; Dorovatovskii, Pavel; Simonenko, Nikolay P.; Kotov, Vitalii Yu.","Thermal decomposition of DMSO or DMF solvates: an advanced method for obtaining new hybrid bismuth(III) halides","CrystEngComm","2024","","","","","10.1039/D4CE00279B","","","0.71073","MoKα","","0.0293","0.0258","","","0.0576","0.0588","","","","","","1.089","","","","has coordinates","292056","2024-05-27","22:38:15",""
"7248696","11.442","0.003","13.461","0.003","12.46","0.003","90","","107.555","0.007","90","","1829.7","0.8","140","","140","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C11 H15 Bi Br4 N O S -","- C11 H15 Bi Br4 N O S -","- C44 H60 Bi4 Br16 N4 O4 S4 -","4","1","","Dudko, Ekaterina M.; Buikin, Petr А.; Ilyukhin, Andrey; Korlyukov, Alexander; Dorovatovskii, Pavel; Simonenko, Nikolay P.; Kotov, Vitalii Yu.","Thermal decomposition of DMSO or DMF solvates: an advanced method for obtaining new hybrid bismuth(III) halides","CrystEngComm","2024","","","","","10.1039/D4CE00279B","","","0.71073","MoKα","","0.0394","0.0323","","","0.0752","0.0785","","","","","","1.034","","","","has coordinates,has disorder","292056","2024-05-27","22:38:15",""
"7248697","11.7459","0.0014","14.2042","0.0019","12.5884","0.0015","90","","106.018","0.004","90","","2018.7","0.4","140","","140","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C11 H15 Bi I4 N O S -","- C11 H15 Bi I4 N O S -","- C44 H60 Bi4 I16 N4 O4 S4 -","4","1","","Dudko, Ekaterina M.; Buikin, Petr А.; Ilyukhin, Andrey; Korlyukov, Alexander; Dorovatovskii, Pavel; Simonenko, Nikolay P.; Kotov, Vitalii Yu.","Thermal decomposition of DMSO or DMF solvates: an advanced method for obtaining new hybrid bismuth(III) halides","CrystEngComm","2024","","","","","10.1039/D4CE00279B","","","0.71073","MoKα","","0.0401","0.0303","","","0.068","0.0714","","","","","","1.026","","","","has coordinates","292056","2024-05-27","22:38:15",""
"7248698","9.4546","0.001","13.286","0.0012","13.9063","0.0011","81.087","0.003","76.125","0.004","69.233","0.004","1581","0.3","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H28 Bi Br4.11 Cl1.89 N3 -","- C27 H28 Bi Br4.111 Cl1.889 N3 -","- C54 H56 Bi2 Br8.222 Cl3.778 N6 -","2","1","","Dudko, Ekaterina M.; Buikin, Petr А.; Ilyukhin, Andrey; Korlyukov, Alexander; Dorovatovskii, Pavel; Simonenko, Nikolay P.; Kotov, Vitalii Yu.","Thermal decomposition of DMSO or DMF solvates: an advanced method for obtaining new hybrid bismuth(III) halides","CrystEngComm","2024","","","","","10.1039/D4CE00279B","","","0.71073","MoKα","","0.0698","0.0384","","","0.0546","0.0633","","","","","","1.04","","","","has coordinates,has disorder","292056","2024-05-27","22:38:15",""
"7248699","11.0547","0.0005","13.7612","0.0006","13.8907","0.0006","74.65","0.001","87.794","0.001","72.935","0.001","1946.28","0.15","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H34 Bi I6 N4 O -","- C30 H34 Bi I6 N4 O -","- C60 H68 Bi2 I12 N8 O2 -","2","1","","Dudko, Ekaterina M.; Buikin, Petr А.; Ilyukhin, Andrey; Korlyukov, Alexander; Dorovatovskii, Pavel; Simonenko, Nikolay P.; Kotov, Vitalii Yu.","Thermal decomposition of DMSO or DMF solvates: an advanced method for obtaining new hybrid bismuth(III) halides","CrystEngComm","2024","","","","","10.1039/D4CE00279B","","","0.71073","MoKα","","0.0229","0.0203","","","0.041","0.0417","","","","","","1.066","","","","has coordinates,has disorder","292056","2024-05-27","22:38:16",""
"7248700","12.79","0.003","14.769","0.004","19.156","0.005","67.593","0.005","73.276","0.005","80.529","0.007","3197.6","1.4","140","","140","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H54 Bi2 Br8.49 Cl3.51 N6 -","- C54 H54 Bi2 Br8.489 Cl3.511 N6 -","- C108 H108 Bi4 Br16.978 Cl7.022 N12 -","2","1","","Dudko, Ekaterina M.; Buikin, Petr А.; Ilyukhin, Andrey; Korlyukov, Alexander; Dorovatovskii, Pavel; Simonenko, Nikolay P.; Kotov, Vitalii Yu.","Thermal decomposition of DMSO or DMF solvates: an advanced method for obtaining new hybrid bismuth(III) halides","CrystEngComm","2024","","","","","10.1039/D4CE00279B","","","0.71073","MoKα","","0.0721","0.0487","","","0.1086","0.1182","","","","","","1.027","","","","has coordinates,has disorder","292056","2024-05-27","22:38:16",""
"7248701","22.399","0.002","21.812","0.002","32.531","0.003","90","","90","","90","","15894","3","100.15","","100.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C120 H136 Bi4 I24 N16 O4 -","- C120 H136 Bi4 I24 N16 O4 -","- C480 H544 Bi16 I96 N64 O16 -","4","1","","Dudko, Ekaterina M.; Buikin, Petr А.; Ilyukhin, Andrey; Korlyukov, Alexander; Dorovatovskii, Pavel; Simonenko, Nikolay P.; Kotov, Vitalii Yu.","Thermal decomposition of DMSO or DMF solvates: an advanced method for obtaining new hybrid bismuth(III) halides","CrystEngComm","2024","","","","","10.1039/D4CE00279B","","","0.71073","MoKα","","0.0934","0.0751","","","0.1617","0.1753","","","","","","1.161","","","","has coordinates,has disorder","292056","2024-05-27","22:38:16",""
"7248702","17.3495","0.0014","14.7084","0.0012","13.8354","0.0011","90","","121.69","0.002","90","","3004.2","0.4","150","2","150","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C45 H57 Bi I7 N7 O3 -","- C36 H36 Bi I7 N4 -","- C72 H72 Bi2 I14 N8 -","2","0.25","","Dudko, Ekaterina M.; Buikin, Petr А.; Ilyukhin, Andrey; Korlyukov, Alexander; Dorovatovskii, Pavel; Simonenko, Nikolay P.; Kotov, Vitalii Yu.","Thermal decomposition of DMSO or DMF solvates: an advanced method for obtaining new hybrid bismuth(III) halides","CrystEngComm","2024","","","","","10.1039/D4CE00279B","","","0.71073","MoKα","","0.044","0.0417","","","0.1186","0.1213","","","","","","1.046","","","","has coordinates,has disorder","292056","2024-05-27","22:38:16",""
"7248703","27.025","0.005","30.658","0.006","18.995","0.004","90","","132.465","0.002","90","","11610","4","170","","170","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","1","","- C16 H90 Co4 N16 Na2 O58 Ta12 -","- C16 H16 Co4 N16 Na2 O57 Ta12 -","- C64 H64 Co16 N64 Na8 O228 Ta48 -","4","0.5","","Cao, Yun-Fei; Lin, Yujin; Li, Xin-Xiong; Sun, Yan-Qiong; Zheng, Shou-Tian","Two resistance-switchable hybrid polyoxotantalates based on {Co2Ta12} clusters","CrystEngComm","2024","","","","","10.1039/D4CE00319E","","","0.71073","MoKα","","0.0458","0.0364","","","0.0972","0.104","","","","","","1.064","","","","has coordinates,has disorder","292057","2024-05-27","22:39:13",""
"7248704","10.3393","0.0009","12.4346","0.0011","15.4023","0.0013","75.628","0.001","81.024","0.002","82.131","0.001","1884.7","0.3","170","","170","","","","","","","","","8","P -1","-P 1","2","","1","","- C4 H90 Co2 K2 N4 Na6 O74 Ta12 -","- C4 Co2 K2 N4 Na6 O74 Ta12 -","- C4 Co2 K2 N4 Na6 O74 Ta12 -","1","0.5","","Cao, Yun-Fei; Lin, Yujin; Li, Xin-Xiong; Sun, Yan-Qiong; Zheng, Shou-Tian","Two resistance-switchable hybrid polyoxotantalates based on {Co2Ta12} clusters","CrystEngComm","2024","","","","","10.1039/D4CE00319E","","","0.71073","MoKα","","0.0606","0.0434","","","0.1132","0.1243","","","","","","1.037","","","","has coordinates","292057","2024-05-27","22:39:13",""
"7248705","29.7023","0.0015","29.7023","0.0015","5.3577","0.0003","90","","90","","120","","4093.4","0.4","113.15","","113.15","","","","","","","","","4","R -3 :H","-R 3","148","","Methyl-2-amino-5-methoxybenzoate","","- C9 H11 N O3 -","- C9 H11 N O3 -","- C162 H198 N18 O54 -","18","1","","Li, Zhonghua; Jia, Shengzhe; Wu, Songgu; Gong, Junbo","Influence of the substituent in the benzene ring on the structure and properties of two isostructural crystals","CrystEngComm","2024","","","","","10.1039/D4CE00163J","","x-ray","0.71073","MoKα","","0.0637","0.0438","","","0.097","0.1071","","","","","","1.03","","","","has coordinates","292072","2024-05-28","22:35:27",""
"7248706","27.6948","0.0015","27.6948","0.0015","5.9072","0.0004","90","","90","","120","","3923.8","0.4","113.15","","113.15","","","","","","","","","4","R -3 :H","-R 3","148","","Methyl 2-amino-5-methylbenzoate","","- C9 H11 N O2 -","- C9 H11 N O2 -","- C162 H198 N18 O36 -","18","1","","Li, Zhonghua; Jia, Shengzhe; Wu, Songgu; Gong, Junbo","Influence of the substituent in the benzene ring on the structure and properties of two isostructural crystals","CrystEngComm","2024","","","","","10.1039/D4CE00163J","","x-ray","0.71073","MoKα","","0.0778","0.0522","","","0.114","0.1302","","","","","","1.044","","","","has coordinates","292072","2024-05-28","22:35:29",""
"7248707","16.719","0.006","7.935","0.003","11.68","0.004","90","","101.248","0.006","90","","1519.8","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 F3 O3 S -","- C15 H13 F3 O3 S -","- C60 H52 F12 O12 S4 -","4","1","","Shaikh, Samir R.; Gawade, Rupesh L.; Dabke, Niteen B.; Dash, Soumya Ranjan; Vanka, Kumar; Gonnade, Rajesh G.","Crystal Engineering for Intramolecular π—π Stacking: Effect of Substitution of Electron Donating and Withdrawing Group on Molecular Geometry in Conformationally Flexible Sulfoesters and Sulfonamides","CrystEngComm","2024","","","","","10.1039/D4CE00309H","","","0.71073","MoKα","","0.1001","0.0815","","","0.1986","0.2126","","","","","","1.068","","","","has coordinates,has disorder","292073","2024-05-28","22:37:11",""
"7248708","7.5635","0.0005","24.1053","0.0016","8.0213","0.0005","90","","104.686","0.001","90","","1414.67","0.16","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H13 Br O3 S -","- C14 H13 Br O3 S -","- C56 H52 Br4 O12 S4 -","4","2","","Shaikh, Samir R.; Gawade, Rupesh L.; Dabke, Niteen B.; Dash, Soumya Ranjan; Vanka, Kumar; Gonnade, Rajesh G.","Crystal Engineering for Intramolecular π—π Stacking: Effect of Substitution of Electron Donating and Withdrawing Group on Molecular Geometry in Conformationally Flexible Sulfoesters and Sulfonamides","CrystEngComm","2024","","","","","10.1039/D4CE00309H","","","0.71073","MoKα","","0.0931","0.0497","","","0.1328","0.1596","","","","","","0.94","","","","has coordinates","292073","2024-05-28","22:37:13",""
"7248709","15.5325","0.0008","7.7124","0.0003","11.7108","0.0005","90","","100.106","0.004","90","","1381.1","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 Cl O3 S -","- C14 H13 Cl O3 S -","- C56 H52 Cl4 O12 S4 -","4","1","","Shaikh, Samir R.; Gawade, Rupesh L.; Dabke, Niteen B.; Dash, Soumya Ranjan; Vanka, Kumar; Gonnade, Rajesh G.","Crystal Engineering for Intramolecular π—π Stacking: Effect of Substitution of Electron Donating and Withdrawing Group on Molecular Geometry in Conformationally Flexible Sulfoesters and Sulfonamides","CrystEngComm","2024","","","","","10.1039/D4CE00309H","","","0.71073","MoKα","","0.0354","0.032","","","0.0852","0.0882","","","","","","1.025","","","","has coordinates","292073","2024-05-28","22:37:13",""
"7248710","10.1905","0.0006","26.3756","0.0019","11.062","0.0008","90","","94.342","0.002","90","","2964.7","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H14 F3 N O2 S -","- C15 H14 F3 N O2 S -","- C120 H112 F24 N8 O16 S8 -","8","4","","Shaikh, Samir R.; Gawade, Rupesh L.; Dabke, Niteen B.; Dash, Soumya Ranjan; Vanka, Kumar; Gonnade, Rajesh G.","Crystal Engineering for Intramolecular π—π Stacking: Effect of Substitution of Electron Donating and Withdrawing Group on Molecular Geometry in Conformationally Flexible Sulfoesters and Sulfonamides","CrystEngComm","2024","","","","","10.1039/D4CE00309H","","","0.71073","MoKα","","0.0642","0.0559","","","0.1515","0.1585","","","","","","1.048","","","","has coordinates","292073","2024-05-28","22:37:13",""
"7248711","9.1017","0.0004","5.7077","0.0002","25.1568","0.0011","90","","90","","90","","1306.89","0.09","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C14 H15 N O2 S -","- C14 H15 N O2 S -","- C56 H60 N4 O8 S4 -","4","1","","Shaikh, Samir R.; Gawade, Rupesh L.; Dabke, Niteen B.; Dash, Soumya Ranjan; Vanka, Kumar; Gonnade, Rajesh G.","Crystal Engineering for Intramolecular π—π Stacking: Effect of Substitution of Electron Donating and Withdrawing Group on Molecular Geometry in Conformationally Flexible Sulfoesters and Sulfonamides","CrystEngComm","2024","","","","","10.1039/D4CE00309H","","","0.71073","MoKα","","0.0244","0.0241","","","0.0624","0.0626","","","","","","1.083","","","","has coordinates","292073","2024-05-28","22:37:13",""
"7248712","26.8683","0.0014","5.8303","0.0003","9.064","0.0005","90","","98.976","0.002","90","","1402.49","0.13","110","2","110","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C14 H14 Br N O2 S -","- C14 H14 Br N O2 S -","- C56 H56 Br4 N4 O8 S4 -","4","2","","Shaikh, Samir R.; Gawade, Rupesh L.; Dabke, Niteen B.; Dash, Soumya Ranjan; Vanka, Kumar; Gonnade, Rajesh G.","Crystal Engineering for Intramolecular π—π Stacking: Effect of Substitution of Electron Donating and Withdrawing Group on Molecular Geometry in Conformationally Flexible Sulfoesters and Sulfonamides","CrystEngComm","2024","","","","","10.1039/D4CE00309H","","","0.71073","MoKα","","0.0341","0.0312","","","0.0746","0.0759","","","","","","1.101","","","","has coordinates","292073","2024-05-28","22:37:13",""
"7248713","15.27","0.004","5.4721","0.0015","17.456","0.005","90","","109.587","0.008","90","","1374.2","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 N O2 S -","- C15 H17 N O2 S -","- C60 H68 N4 O8 S4 -","4","1","","Shaikh, Samir R.; Gawade, Rupesh L.; Dabke, Niteen B.; Dash, Soumya Ranjan; Vanka, Kumar; Gonnade, Rajesh G.","Crystal Engineering for Intramolecular π—π Stacking: Effect of Substitution of Electron Donating and Withdrawing Group on Molecular Geometry in Conformationally Flexible Sulfoesters and Sulfonamides","CrystEngComm","2024","","","","","10.1039/D4CE00309H","","","0.71073","MoKα","","0.1268","0.1141","","","0.3133","0.3314","","","","","","1.071","","","","has coordinates,has disorder","292073","2024-05-28","22:37:14",""
"7248714","7.5399","0.0005","7.6427","0.0005","24.2467","0.0016","90","","93.27","0.004","90","","1394.95","0.16","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 N2 O3 S -","- C14 H16 N2 O3 S -","- C56 H64 N8 O12 S4 -","4","1","","Shaikh, Samir R.; Gawade, Rupesh L.; Dabke, Niteen B.; Dash, Soumya Ranjan; Vanka, Kumar; Gonnade, Rajesh G.","Crystal Engineering for Intramolecular π—π Stacking: Effect of Substitution of Electron Donating and Withdrawing Group on Molecular Geometry in Conformationally Flexible Sulfoesters and Sulfonamides","CrystEngComm","2024","","","","","10.1039/D4CE00309H","","","0.71073","MoKα","","0.0528","0.0452","","","0.1059","0.1097","","","","","","1.117","","","","has coordinates","292073","2024-05-28","22:37:14",""
"7248715","26.5795","0.0011","5.7691","0.0002","9.0833","0.0004","90","","98.991","0.001","90","","1375.72","0.1","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C14 H14 Cl N O2 S -","- C14 H14 Cl N O2 S -","- C56 H56 Cl4 N4 O8 S4 -","4","2","","Shaikh, Samir R.; Gawade, Rupesh L.; Dabke, Niteen B.; Dash, Soumya Ranjan; Vanka, Kumar; Gonnade, Rajesh G.","Crystal Engineering for Intramolecular π—π Stacking: Effect of Substitution of Electron Donating and Withdrawing Group on Molecular Geometry in Conformationally Flexible Sulfoesters and Sulfonamides","CrystEngComm","2024","","","","","10.1039/D4CE00309H","","","0.71073","MoKα","","0.0385","0.0335","","","0.0759","0.0783","","","","","","1.029","","","","has coordinates","292073","2024-05-28","22:37:14",""
"7248716","9.1812","0.0006","5.7173","0.0004","53.186","0.004","90","","90","","90","","2791.8","0.3","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C15 H14 N2 O2 S -","- C15 H14 N2 O2 S -","- C120 H112 N16 O16 S8 -","8","2","","Shaikh, Samir R.; Gawade, Rupesh L.; Dabke, Niteen B.; Dash, Soumya Ranjan; Vanka, Kumar; Gonnade, Rajesh G.","Crystal Engineering for Intramolecular π—π Stacking: Effect of Substitution of Electron Donating and Withdrawing Group on Molecular Geometry in Conformationally Flexible Sulfoesters and Sulfonamides","CrystEngComm","2024","","","","","10.1039/D4CE00309H","","","0.71073","MoKα","","0.0903","0.0886","","","0.2034","0.2042","","","","","","1.172","","","","has coordinates","292073","2024-05-28","22:37:14",""
"7248717","14.225","0.003","7.0381","0.0014","14.882","0.003","90","","116.423","0.007","90","","1334.3","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 Cl N2 O2 S -","- C13 H13 Cl N2 O2 S -","- C52 H52 Cl4 N8 O8 S4 -","4","1","","Shaikh, Samir R.; Gawade, Rupesh L.; Dabke, Niteen B.; Dash, Soumya Ranjan; Vanka, Kumar; Gonnade, Rajesh G.","Crystal Engineering for Intramolecular π—π Stacking: Effect of Substitution of Electron Donating and Withdrawing Group on Molecular Geometry in Conformationally Flexible Sulfoesters and Sulfonamides","CrystEngComm","2024","","","","","10.1039/D4CE00309H","","","0.71073","MoKα","","0.0276","0.0265","","","0.0728","0.0737","","","","","","1.065","","","","has coordinates","292073","2024-05-28","22:37:14",""
"7248718","5.4885","0.0003","9.4202","0.0005","24.6029","0.0014","90","","95.597","0.002","90","","1265.97","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 N2 O2 S -","- C13 H14 N2 O2 S -","- C52 H56 N8 O8 S4 -","4","1","","Shaikh, Samir R.; Gawade, Rupesh L.; Dabke, Niteen B.; Dash, Soumya Ranjan; Vanka, Kumar; Gonnade, Rajesh G.","Crystal Engineering for Intramolecular π—π Stacking: Effect of Substitution of Electron Donating and Withdrawing Group on Molecular Geometry in Conformationally Flexible Sulfoesters and Sulfonamides","CrystEngComm","2024","","","","","10.1039/D4CE00309H","","","0.71073","MoKα","","0.0443","0.0384","","","0.0947","0.0981","","","","","","1.065","","","","has coordinates","292073","2024-05-28","22:37:14",""
"7248719","7.6373","0.0003","11.5197","0.0004","16.1227","0.0006","89.774","0.001","80.11","0.001","85.664","0.001","1393.33","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H17 N O3 S -","- C15 H17 N O3 S -","- C60 H68 N4 O12 S4 -","4","2","","Shaikh, Samir R.; Gawade, Rupesh L.; Dabke, Niteen B.; Dash, Soumya Ranjan; Vanka, Kumar; Gonnade, Rajesh G.","Crystal Engineering for Intramolecular π—π Stacking: Effect of Substitution of Electron Donating and Withdrawing Group on Molecular Geometry in Conformationally Flexible Sulfoesters and Sulfonamides","CrystEngComm","2024","","","","","10.1039/D4CE00309H","","","0.71073","MoKα","","0.0311","0.0299","","","0.0826","0.0838","","","","","","1.04","","","","has coordinates","292073","2024-05-28","22:37:15",""
"7248720","7.7896","0.001","15.722","0.002","22.587","0.003","90","","90","","90","","2766.2","0.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H16 N2 O2 S -","- C14 H16 N2 O2 S -","- C112 H128 N16 O16 S8 -","8","1","","Shaikh, Samir R.; Gawade, Rupesh L.; Dabke, Niteen B.; Dash, Soumya Ranjan; Vanka, Kumar; Gonnade, Rajesh G.","Crystal Engineering for Intramolecular π—π Stacking: Effect of Substitution of Electron Donating and Withdrawing Group on Molecular Geometry in Conformationally Flexible Sulfoesters and Sulfonamides","CrystEngComm","2024","","","","","10.1039/D4CE00309H","","","0.71073","MoKα","","0.0707","0.0597","","","0.1328","0.1382","","","","","","1.166","","","","has coordinates","292073","2024-05-28","22:37:15",""
"7248721","5.5952","0.0002","12.3194","0.0004","20.3022","0.0007","88.811","0.001","85.772","0.001","76.874","0.001","1359.14","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H13 Br N2 O2 S -","- C13 H13 Br N2 O2 S -","- C52 H52 Br4 N8 O8 S4 -","4","2","","Shaikh, Samir R.; Gawade, Rupesh L.; Dabke, Niteen B.; Dash, Soumya Ranjan; Vanka, Kumar; Gonnade, Rajesh G.","Crystal Engineering for Intramolecular π—π Stacking: Effect of Substitution of Electron Donating and Withdrawing Group on Molecular Geometry in Conformationally Flexible Sulfoesters and Sulfonamides","CrystEngComm","2024","","","","","10.1039/D4CE00309H","","","0.71073","MoKα","","0.0277","0.023","","","0.058","0.0597","","","","","","1.025","","","","has coordinates","292073","2024-05-28","22:37:15",""
"7248722","25.3896","0.0008","5.0011","0.0002","22.3676","0.0008","90","","94.337","0.002","90","","2832.01","0.18","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H13 F3 N2 O2 S -","- C14 H13 F3 N2 O2 S -","- C112 H104 F24 N16 O16 S8 -","8","1","","Shaikh, Samir R.; Gawade, Rupesh L.; Dabke, Niteen B.; Dash, Soumya Ranjan; Vanka, Kumar; Gonnade, Rajesh G.","Crystal Engineering for Intramolecular π—π Stacking: Effect of Substitution of Electron Donating and Withdrawing Group on Molecular Geometry in Conformationally Flexible Sulfoesters and Sulfonamides","CrystEngComm","2024","","","","","10.1039/D4CE00309H","","","0.71073","MoKα","","0.0478","0.0453","","","0.1049","0.1066","","","","","","1.074","","","","has coordinates","292073","2024-05-28","22:37:15",""
"7248723","7.3793","0.0006","8.1389","0.0007","24.315","0.002","85.636","0.005","89.814","0.005","74.498","0.004","1402.9","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H16 O3 S -","- C15 H16 O3 S -","- C60 H64 O12 S4 -","4","2","","Shaikh, Samir R.; Gawade, Rupesh L.; Dabke, Niteen B.; Dash, Soumya Ranjan; Vanka, Kumar; Gonnade, Rajesh G.","Crystal Engineering for Intramolecular π—π Stacking: Effect of Substitution of Electron Donating and Withdrawing Group on Molecular Geometry in Conformationally Flexible Sulfoesters and Sulfonamides","CrystEngComm","2024","","","","","10.1039/D4CE00309H","","","0.71073","MoKα","","0.1373","0.1224","","","0.3","0.3076","","","","","","1.103","","","","has coordinates","292073","2024-05-28","22:37:15",""
"7248724","14.7745","0.0004","6.9327","0.0002","14.9312","0.0004","90","","118.484","0.001","90","","1344.23","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N3 O2 S -","- C14 H13 N3 O2 S -","- C56 H52 N12 O8 S4 -","4","1","","Shaikh, Samir R.; Gawade, Rupesh L.; Dabke, Niteen B.; Dash, Soumya Ranjan; Vanka, Kumar; Gonnade, Rajesh G.","Crystal Engineering for Intramolecular π—π Stacking: Effect of Substitution of Electron Donating and Withdrawing Group on Molecular Geometry in Conformationally Flexible Sulfoesters and Sulfonamides","CrystEngComm","2024","","","","","10.1039/D4CE00309H","","","0.71073","MoKα","","0.034","0.032","","","0.0803","0.0816","","","","","","1.081","","","","has coordinates","292073","2024-05-28","22:37:15",""
"7248748","14.0454","0.0006","7.0154","0.0003","20.9702","0.001","90","","105.948","0.002","90","","1986.75","0.15","103","","103","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H20 F20 Ni2 O10 -","- C38 H20 F20 Ni2 O10 -","- C76 H40 F40 Ni4 O20 -","2","0.5","","Habuka, Yusuke; Usui, Hirotomo; Okawa, Mizuki; Shinohara, Takanori; Yuge, Hidetaka; Mao, Yuchen; Gong, Jin; Richards, Gary J.; Hori, Akiko","Selective recognition and reversible encapsulation of tetrameric alcohol clusters via hydrogen bonds using a perfluorinated dinuclear nickel(ii) complex","CrystEngComm","2024","","","","","10.1039/D4CE00166D","","","0.71073","MoKα","","0.0318","0.0278","","","0.0589","0.0608","","","","","","1.084","","","","has coordinates","292118","2024-05-30","22:45:41",""
"7248749","5.0933","0.0007","13.6611","0.0018","13.976","0.002","98.835","0.004","99.813","0.004","90.305","0.004","946.4","0.2","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H12 Cu2 F20 O8 -","- C36 H12 Cu2 F20 O8 -","- C36 H12 Cu2 F20 O8 -","1","0.5","","Habuka, Yusuke; Usui, Hirotomo; Okawa, Mizuki; Shinohara, Takanori; Yuge, Hidetaka; Mao, Yuchen; Gong, Jin; Richards, Gary J.; Hori, Akiko","Selective recognition and reversible encapsulation of tetrameric alcohol clusters via hydrogen bonds using a perfluorinated dinuclear nickel(ii) complex","CrystEngComm","2024","","","","","10.1039/D4CE00166D","","","0.71073","MoKα","","0.0979","0.0635","","","0.1327","0.1475","","","","","","1.117","","","","has coordinates","292118","2024-05-30","22:45:42",""
"7248750","10.605","0.002","13.738","0.003","13.967","0.003","98.221","0.002","94.599","0.002","99.35","0.002","1976","0.7","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H16 Cu2 F20 O8 -","- C38 H16 Cu2 F20 O8 -","- C76 H32 Cu4 F40 O16 -","2","1","","Habuka, Yusuke; Usui, Hirotomo; Okawa, Mizuki; Shinohara, Takanori; Yuge, Hidetaka; Mao, Yuchen; Gong, Jin; Richards, Gary J.; Hori, Akiko","Selective recognition and reversible encapsulation of tetrameric alcohol clusters via hydrogen bonds using a perfluorinated dinuclear nickel(ii) complex","CrystEngComm","2024","","","","","10.1039/D4CE00166D","","","0.71073","MoKα","","0.0442","0.0353","","","0.0908","0.0967","","","","","","1.052","","","","has coordinates","292118","2024-05-30","22:45:42",""
"7248751","12.4777","0.0005","13.9837","0.0004","14.3744","0.0005","90","","102.552","0.001","90","","2448.16","0.15","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H36 F20 Ni2 O14 -","- C42 H36 F20 Ni2 O14 -","- C84 H72 F40 Ni4 O28 -","2","0.5","","Habuka, Yusuke; Usui, Hirotomo; Okawa, Mizuki; Shinohara, Takanori; Yuge, Hidetaka; Mao, Yuchen; Gong, Jin; Richards, Gary J.; Hori, Akiko","Selective recognition and reversible encapsulation of tetrameric alcohol clusters via hydrogen bonds using a perfluorinated dinuclear nickel(ii) complex","CrystEngComm","2024","","","","","10.1039/D4CE00166D","","","0.71073","MoKα","","0.0548","0.0359","","","0.0708","0.0772","","","","","","1.034","","","","has coordinates","292118","2024-05-30","22:45:43",""
"7248752","6.6055","0.0007","7.4668","0.001","12.196","0.0016","103.927","0.005","90.111","0.004","95.743","0.004","580.71","0.13","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C7 H16 Cd Cl3 N -","- C7 H16 Cd Cl3 N -","- C14 H32 Cd2 Cl6 N2 -","2","1","","Hua, Xiu-Ni; Cai, Zhuoer; Huang, Tiantian; Cui, Jinghan; Shi, Xian; Zhang, Xiang; Yinan, Zhang; Chen, Jian; Xu, Kai; Duan, Hai-Bao","Successive high-temperature phase transitions triggered dielectric switching in a one-dimensional hybrid perovskite with blue emission","CrystEngComm","2024","","","","","10.1039/D4CE00415A","","","0.71073","MoKα","","0.0379","0.0347","","","0.089","0.0934","","","","","","1.043","","","","has coordinates","292119","2024-05-30","22:46:09",""
"7248753","12.2318","0.0012","6.6515","0.0006","15.0423","0.0012","90","","103.61","0.003","90","","1189.47","0.19","400","","400","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H16 Cd Cl3 N -","- C7 H16 Cd Cl3 N -","- C28 H64 Cd4 Cl12 N4 -","4","1","","Hua, Xiu-Ni; Cai, Zhuoer; Huang, Tiantian; Cui, Jinghan; Shi, Xian; Zhang, Xiang; Yinan, Zhang; Chen, Jian; Xu, Kai; Duan, Hai-Bao","Successive high-temperature phase transitions triggered dielectric switching in a one-dimensional hybrid perovskite with blue emission","CrystEngComm","2024","","","","","10.1039/D4CE00415A","","","0.71073","MoKα","","0.0503","0.0356","","","0.0811","0.0905","","","","","","1.049","","","","has coordinates","292119","2024-05-30","22:46:10",""
"7248754","12.229","0.002","6.6525","0.0011","15.025","0.002","90","","103.592","0.006","90","","1188.1","0.3","388","","388","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H16 Cd Cl3 N -","- C7 H16 Cd Cl3 N -","- C28 H64 Cd4 Cl12 N4 -","4","1","","Hua, Xiu-Ni; Cai, Zhuoer; Huang, Tiantian; Cui, Jinghan; Shi, Xian; Zhang, Xiang; Yinan, Zhang; Chen, Jian; Xu, Kai; Duan, Hai-Bao","Successive high-temperature phase transitions triggered dielectric switching in a one-dimensional hybrid perovskite with blue emission","CrystEngComm","2024","","","","","10.1039/D4CE00415A","","","0.71073","MoKα","","0.0401","0.0309","","","0.0739","0.0806","","","","","","1.042","","","","has coordinates","292119","2024-05-30","22:46:11",""
"7248755","7.5694","0.0014","24.091","0.004","6.6715","0.0012","90","","90","","90","","1216.6","0.4","448","","448","","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C7 H16 Cd Cl3 N -","- C7 H16 Cd Cl3 N -","- C28 H64 Cd4 Cl12 N4 -","4","0.25","","Hua, Xiu-Ni; Cai, Zhuoer; Huang, Tiantian; Cui, Jinghan; Shi, Xian; Zhang, Xiang; Yinan, Zhang; Chen, Jian; Xu, Kai; Duan, Hai-Bao","Successive high-temperature phase transitions triggered dielectric switching in a one-dimensional hybrid perovskite with blue emission","CrystEngComm","2024","","","","","10.1039/D4CE00415A","","","0.71073","MoKα","","0.037","0.0326","","","0.0853","0.0898","","","","","","1.088","","","","has coordinates,has disorder","292119","2024-05-30","22:46:11",""
"7248762","12.174","0.003","12.458","0.003","13.317","0.003","80.136","0.003","81.546","0.004","83.025","0.004","1958.6","0.8","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C68 H Co3 N4 O14 -","- C68 H44 Co3 N4 O14 -","- C68 H44 Co3 N4 O14 -","1","0.5","","Zhang, Shuran; Qin, Shao-Dan; Xu, Guangjuan; Xie, Wei; Xu, Na; Jiang, Nan; Xu, Yanhong; Hu, Xiao-Li; Su, Zhong-Min","Co-based MOF as an efficient catalyst by peroxymonosulfate activation for degradation of tetracycline: Synthesis and Performance","CrystEngComm","2024","","","","","10.1039/D4CE00350K","","","0.71073","MoKα","","0.1131","0.0557","","","0.1276","0.1536","","","","","","0.908","","","","has coordinates","292141","2024-05-31","22:41:26",""
"7248763","8.2876","0.0017","11.814","0.003","8.2579","0.0018","90","","90","","90","","808.5","0.3","300","2","300","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Br2.7 Cs I0.3 Pb -","- Br2.7 Cs I0.3 Pb -","- Br10.8 Cs4 I1.2 Pb4 -","4","0.5","","Shen, Meng; Zhang, Yulin; Cheng, Bingliang; Ma, Wenjuan; Huang, Xiaole; Zhang, Lei; Chai, Zhifang; Lin, Wenwen","Spontaneous Phase Transition from 3D Perovskite to 1D Non-perovskite in CsPbBr2.7I0.3","CrystEngComm","2024","","","","","10.1039/D4CE00235K","","","0.71073","MoKα","","0.0787","0.0437","","","0.0893","0.1069","","","","","","1.02","","","","has coordinates,has disorder","292142","2024-05-31","22:41:40",""
"7248781","12.1399","0.0008","3.6287","0.0003","11.6102","0.0007","90","","90","","90","","511.45","0.06","100","2","100","2","","","","","","","","4","P m n a","-P 2ac 2","53","","","","- C2 H4 N6 O -","- C2 H4 N6 O -","- C8 H16 N24 O4 -","4","0.5","","Balabanova, Sofya P.; Voronin, Alexey A.; Churakov, Alexandr M.; Klenov, Michael S.; Fedyanin, Ivan V.; Pivkina, Alla N.; Meerov, Dmitry B.; Kon'kova, Tatiana S.; Matyushin, Yurii N.; Strelenko, Yurii A.; Erokhin, Kirill S.; Zelenov, Victor P.; Tartakovsky, Vladimir A.","Insight into the structural and energetic features of substituted triazolofurazans","CrystEngComm","2024","","","","","10.1039/D4CE00329B","","","0.71073","MoKα","","0.0518","0.0441","","","0.1041","0.1116","","","","","","1.028","","","","has coordinates","292240","2024-06-06","22:44:31",""
"7248782","20.0924","0.0005","5.8345","0.0001","12.1652","0.0003","90","","98.823","0.001","90","","1409.24","0.06","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C2 H4 N8 O3 -","- C2 H4 N8 O3 -","- C16 H32 N64 O24 -","8","1","","Balabanova, Sofya P.; Voronin, Alexey A.; Churakov, Alexandr M.; Klenov, Michael S.; Fedyanin, Ivan V.; Pivkina, Alla N.; Meerov, Dmitry B.; Kon'kova, Tatiana S.; Matyushin, Yurii N.; Strelenko, Yurii A.; Erokhin, Kirill S.; Zelenov, Victor P.; Tartakovsky, Vladimir A.","Insight into the structural and energetic features of substituted triazolofurazans","CrystEngComm","2024","","","","","10.1039/D4CE00329B","","","0.71073","MoKα","","0.031","0.0293","","","0.079","0.0801","","","","","","1.074","","","","has coordinates","292240","2024-06-06","22:44:32",""
"7248783","19.6742","0.0016","3.7044","0.0003","8.671","0.0006","90","","90","","90","","631.95","0.08","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C2 H7 N7 O2 -","- C2 H7 N7 O2 -","- C8 H28 N28 O8 -","4","1","","Balabanova, Sofya P.; Voronin, Alexey A.; Churakov, Alexandr M.; Klenov, Michael S.; Fedyanin, Ivan V.; Pivkina, Alla N.; Meerov, Dmitry B.; Kon'kova, Tatiana S.; Matyushin, Yurii N.; Strelenko, Yurii A.; Erokhin, Kirill S.; Zelenov, Victor P.; Tartakovsky, Vladimir A.","Insight into the structural and energetic features of substituted triazolofurazans","CrystEngComm","2024","","","","","10.1039/D4CE00329B","","","0.71073","MoKα","","0.0437","0.0399","","","0.093","0.096","","","","","","1.051","","","","has coordinates","292240","2024-06-06","22:44:32",""
"7248784","14.1872","0.0015","9.3706","0.0007","8.6822","0.0008","90","","90","","90","","1154.23","0.18","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C2 H5 N7 O -","- C2 H5 N7 O -","- C16 H40 N56 O8 -","8","2","","Balabanova, Sofya P.; Voronin, Alexey A.; Churakov, Alexandr M.; Klenov, Michael S.; Fedyanin, Ivan V.; Pivkina, Alla N.; Meerov, Dmitry B.; Kon'kova, Tatiana S.; Matyushin, Yurii N.; Strelenko, Yurii A.; Erokhin, Kirill S.; Zelenov, Victor P.; Tartakovsky, Vladimir A.","Insight into the structural and energetic features of substituted triazolofurazans","CrystEngComm","2024","","","","","10.1039/D4CE00329B","","","0.71073","MoKα","","0.0791","0.055","","","0.1046","0.1164","","","","","","1.009","","","","has coordinates","292240","2024-06-06","22:44:32",""
"7248785","20.0632","0.0007","9.1635","0.0003","32.526","0.001","90","","107.488","0.003","90","","5703.5","0.3","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H25 Ce N4 O7 -","- C29 H25 Ce N4 O7 -","- C232 H200 Ce8 N32 O56 -","8","1","","Liu, Tong-Ji; Xu, Hang; Shi, Ying; Zhao, Bin","A Highly Stable Cerium-Organic Framework: Efficient Catalyst for the Cycloaddition of CO2 and Aziridines under Mild-Pressure","CrystEngComm","2024","","","","","10.1039/D4CE00167B","","x-ray","0.71073","MoKα","","0.0341","0.0276","","","0.0508","0.0536","","","","","","1.108","","","","has coordinates","292241","2024-06-06","22:44:53",""
"7248786","10.1527","0.0001","21.4379","0.0003","12.6218","0.0002","90","","96.047","0.001","90","","2731.88","0.06","120","0.1","120","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H50 Cu2 N10 O14 -","- C56 H50 Cu2 N10 O14 -","- C112 H100 Cu4 N20 O28 -","2","0.5","","Marttinen, Antti; Lahtinen, Manu","Aqueous syntheses of anthracene-based mixed-ligand coordination polymers and their structural and optical properties","CrystEngComm","2024","","","","","10.1039/D4CE00399C","","x-ray","1.54184","CuKα","","0.0458","0.0396","","","0.101","0.1059","","","","","","1.042","","","","has coordinates,has disorder","292242","2024-06-06","22:45:59",""
"7248787","10.8808","0.0003","11.1603","0.0003","12.5136","0.0003","111.044","0.002","107.145","0.002","95.432","0.002","1320.49","0.07","120.01","0.1","120.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C56 H44 Cu2 N10 O12 -","- C56 H44 Cu2 N10 O12 -","- C56 H44 Cu2 N10 O12 -","1","0.5","","Marttinen, Antti; Lahtinen, Manu","Aqueous syntheses of anthracene-based mixed-ligand coordination polymers and their structural and optical properties","CrystEngComm","2024","","","","","10.1039/D4CE00399C","","x-ray","1.54184","CuKα","","0.056","0.0476","","","0.1154","0.1198","","","","","","1.078","","","","has coordinates,has disorder","292242","2024-06-06","22:46:00",""
"7248788","7.1723","0.0001","10.3009","0.0001","13.3438","0.0001","90","","99.696","0.001","90","","971.773","0.018","120.01","0.1","120.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 N6 O6 -","- C20 H16 N6 O6 -","- C40 H32 N12 O12 -","2","0.5","","Marttinen, Antti; Lahtinen, Manu","Aqueous syntheses of anthracene-based mixed-ligand coordination polymers and their structural and optical properties","CrystEngComm","2024","","","","","10.1039/D4CE00399C","","x-ray","1.54184","CuKα","","0.0406","0.0377","","","0.1011","0.1034","","","","","","1.098","","","","has coordinates","292242","2024-06-06","22:46:01",""
"7248789","10.1841","0.0002","22.1378","0.0004","12.2623","0.0002","90","","96.771","0.002","90","","2745.3","0.09","120.01","0.1","120.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H48 N10 Ni2 O13 -","- C56 H48 N10 Ni2 O13 -","- C112 H96 N20 Ni4 O26 -","2","0.5","","Marttinen, Antti; Lahtinen, Manu","Aqueous syntheses of anthracene-based mixed-ligand coordination polymers and their structural and optical properties","CrystEngComm","2024","","","","","10.1039/D4CE00399C","","x-ray","1.54184","CuKα","","0.0891","0.0572","","","0.1235","0.1377","","","","","","1.082","","","","has coordinates,has disorder","292242","2024-06-06","22:46:01",""
"7248790","11.2569","0.0011","13.4025","0.0017","13.5086","0.0013","61.328","0.011","71.172","0.009","75.382","0.01","1680.8","0.4","120.01","0.1","120.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C76 H55 N14 Ni2 O10.5 -","- C76 H55 N14 Ni2 O10.5 -","- C76 H55 N14 Ni2 O10.5 -","1","0.5","","Marttinen, Antti; Lahtinen, Manu","Aqueous syntheses of anthracene-based mixed-ligand coordination polymers and their structural and optical properties","CrystEngComm","2024","","","","","10.1039/D4CE00399C","","x-ray","1.54184","CuKα","","0.0989","0.0644","","","0.1346","0.1493","","","","","","1.078","","","","has coordinates","292242","2024-06-06","22:46:01",""
"7248791","10.1534","0.0002","10.8388","0.0002","17.2424","0.0002","88.548","0.001","89.922","0.002","84.669","0.002","1888.72","0.06","120.15","","120.15","","","","","","","","","6","P -1","-P 1","2","","","","- C72 H44 Cu8 N8 O32 S4 -","- C72 H44 Cu8 N8 O32 S4 -","- C72 H44 Cu8 N8 O32 S4 -","1","0.5","","Marttinen, Antti; Lahtinen, Manu","Aqueous syntheses of anthracene-based mixed-ligand coordination polymers and their structural and optical properties","CrystEngComm","2024","","","","","10.1039/D4CE00399C","","x-ray","1.54184","CuKα","","0.0526","0.0438","","","0.1075","0.1118","","","","","","1.031","","","","has coordinates,has disorder","292242","2024-06-06","22:46:02",""
"7248792","13.5935","0.0003","29.6842","0.0009","17.6639","0.0005","90","","104.823","0.003","90","","6890.4","0.3","273","0.1","273","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C128 H132 N24 Ni3 O32 S2 -","- C116 H80 N20 Ni3 O16 S2 -","- C232 H160 N40 Ni6 O32 S4 -","2","0.5","","Marttinen, Antti; Lahtinen, Manu","Aqueous syntheses of anthracene-based mixed-ligand coordination polymers and their structural and optical properties","CrystEngComm","2024","","","","","10.1039/D4CE00399C","","x-ray","1.54184","CuKα","","0.0943","0.0809","","","0.2226","0.2324","","","","","","1.053","","","","has coordinates,has disorder","292242","2024-06-06","22:46:02",""
"7248793","13.6311","0.0001","30.6414","0.0001","16.9666","0.0001","90","","104.013","0.001","90","","6875.65","0.07","120.15","","120.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C134 H146 N26 Ni3 O34 S2 -","- C134 H146 N26 Ni3 O34 S2 -","- C268 H292 N52 Ni6 O68 S4 -","2","0.5","","Marttinen, Antti; Lahtinen, Manu","Aqueous syntheses of anthracene-based mixed-ligand coordination polymers and their structural and optical properties","CrystEngComm","2024","","","","","10.1039/D4CE00399C","","x-ray","1.54184","CuKα","","0.0546","0.0506","","","0.1334","0.1366","","","","","","1.063","","","","has coordinates,has disorder","292242","2024-06-06","22:46:02",""
"7248794","13.6178","0.0001","29.7718","0.0002","17.1157","0.0002","90","","104.098","0.001","90","","6730.15","0.11","120","0.1","120","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C128 H136 N24 Ni3 O34 S2 -","- C116 H80 N20 Ni3 O16 S2 -","- C232 H160 N40 Ni6 O32 S4 -","2","0.5","","Marttinen, Antti; Lahtinen, Manu","Aqueous syntheses of anthracene-based mixed-ligand coordination polymers and their structural and optical properties","CrystEngComm","2024","","","","","10.1039/D4CE00399C","","x-ray","1.54184","CuKα","","0.0911","0.0857","","","0.2222","0.2267","","","","","","1.083","","","","has coordinates,has disorder","292242","2024-06-06","22:46:02",""
"7248795","7.8012","0.0003","5.3813","0.0002","12.1746","0.0004","90","","102.724","0.0011","90","","498.55","0.03","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-Analyl-glycyl-glycine monohydrate","","- C7 H15 N3 O5 -","- C7 H15 N3 O5 -","- C14 H30 N6 O10 -","2","1","","Toomey, Ryan; Wang, Luther; Heider, Emily; Hartman, Joshua D.; Nichols, Alexander J.; Myles, Dean A.; Gardberg, Anna S.; McIntyre, Garry J.; Zeller, Matthias; Mehta, Manish; Harper, James K.","NMR-Guided Refinement of Crystal Structures using 15N Chemical Shift Tensors","CrystEngComm","2024","","","","","10.1039/D4CE00237G","","","1.5","neutron","","0.0554","0.0549","","","0.1351","0.1355","","","","","","1.071","","","","has coordinates","292243","2024-06-06","22:46:28",""
"7248796","15.1803","0.0007","15.8937","0.0008","31.1603","0.0012","90","","90","","90","","7518.1","0.6","296","2","296.15","","","","","","","","","5","P n n n :2","-P 2ab 2bc","48","","","","- C37 H26 Cd N2 O6 -","- C37 H26 Cd N2 O6 -","- C296 H208 Cd8 N16 O48 -","8","1","","Chen, Wei-Min; Zhang, Yi; Xue, Zhen-Dong; Zhu, Hao-Yu; Gao, Qiang; Chen, Lizhuang; Wang, Fang-Ming","Three new AIE-cored Luminescent Cd-based MOF with high quantum yields and selective detection of ions in aqueous media","CrystEngComm","2024","","","","","10.1039/D4CE00446A","","","0.71073","MoKα","","0.1882","0.0742","","","0.1681","0.2225","","","","","","1.001","","","","has coordinates","292244","2024-06-06","22:46:44",""
"7248797","11.7204","0.0002","8.4362","0.0002","21.7076","0.0005","90","","98.393","0.002","90","","2123.37","0.08","113.15","","113.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H23 Cl N4 O6 -","- C21 H23 Cl N4 O6 -","- C84 H92 Cl4 N16 O24 -","4","1","","Zhang, Liang; Wu, Di; Zhang, Menglong; Yu, Fuhai; Bao, Ying; Xie, Chuang; Hou, Baohong; Jing, Dingding; Zhang, Chuntao; Chen, Wei","Theoretical and experimental study of pharmaceutical salts: A case of Trimethoprim","CrystEngComm","2024","","","","","10.1039/D4CE00345D","","x-ray","0.71073","MoKα","","0.0533","0.0441","","","0.1099","0.1178","","","","","","1.036","","","","has coordinates","292246","2024-06-06","22:47:39",""
"7248798","17.5775","0.0009","8.5067","0.0004","16.7661","0.0009","90","","106.408","0.006","90","","2404.9","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 N4 O8 -","- C24 H30 N4 O8 -","- C96 H120 N16 O32 -","4","1","","Zhang, Liang; Wu, Di; Zhang, Menglong; Yu, Fuhai; Bao, Ying; Xie, Chuang; Hou, Baohong; Jing, Dingding; Zhang, Chuntao; Chen, Wei","Theoretical and experimental study of pharmaceutical salts: A case of Trimethoprim","CrystEngComm","2024","","","","","10.1039/D4CE00345D","","x-ray","0.71073","MoKα","","0.1354","0.0918","","","0.1788","0.2","","","","","","1.144","","","","has coordinates","292246","2024-06-06","22:47:39",""
"7248799","12.0964","0.0003","9.7449","0.0002","20.4019","0.0006","90","","101.15","0.002","90","","2359.54","0.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 N5 O7 -","- C23 H27 N5 O7 -","- C92 H108 N20 O28 -","4","1","","Zhang, Liang; Wu, Di; Zhang, Menglong; Yu, Fuhai; Bao, Ying; Xie, Chuang; Hou, Baohong; Jing, Dingding; Zhang, Chuntao; Chen, Wei","Theoretical and experimental study of pharmaceutical salts: A case of Trimethoprim","CrystEngComm","2024","","","","","10.1039/D4CE00345D","","x-ray","0.71073","MoKα","","0.1613","0.0944","","","0.1802","0.2138","","","","","","1.062","","","","has coordinates","292246","2024-06-06","22:47:40",""
"7248800","12.2812","0.0002","11.5143","0.0002","14.0952","0.0002","90","","107.887","0.002","90","","1896.85","0.06","113.15","","113.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H44 N8 O12 S2 -","- C38 H44 N8 O12 S2 -","- C76 H88 N16 O24 S4 -","2","0.5","","Zhang, Liang; Wu, Di; Zhang, Menglong; Yu, Fuhai; Bao, Ying; Xie, Chuang; Hou, Baohong; Jing, Dingding; Zhang, Chuntao; Chen, Wei","Theoretical and experimental study of pharmaceutical salts: A case of Trimethoprim","CrystEngComm","2024","","","","","10.1039/D4CE00345D","","x-ray","0.71073","MoKα","","0.0402","0.0365","","","0.095","0.0984","","","","","","1.009","","","","has coordinates","292246","2024-06-06","22:47:41",""
"7248801","10.6038","0.0007","12.9331","0.0011","14.4781","0.0008","67.818","0.006","84.598","0.005","84.69","0.006","1826.9","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H42 N10 O11 -","- C34 H42 N10 O11 -","- C68 H84 N20 O22 -","2","1","","Zhang, Liang; Wu, Di; Zhang, Menglong; Yu, Fuhai; Bao, Ying; Xie, Chuang; Hou, Baohong; Jing, Dingding; Zhang, Chuntao; Chen, Wei","Theoretical and experimental study of pharmaceutical salts: A case of Trimethoprim","CrystEngComm","2024","","","","","10.1039/D4CE00345D","","x-ray","1.54184","CuKα","","0.0983","0.06","","","0.1517","0.1786","","","","","","1.026","","","","has coordinates","292246","2024-06-06","22:47:41",""
"7248802","14.4664","0.0004","12.6295","0.0002","12.7478","0.0004","90","","111.155","0.003","90","","2172.1","0.11","113.15","","113.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20.37 H23.49 N6 O7.37 -","- C20.372 H23.488 N6 O7.372 -","- C81.488 H93.952 N24 O29.488 -","4","1","","Zhang, Liang; Wu, Di; Zhang, Menglong; Yu, Fuhai; Bao, Ying; Xie, Chuang; Hou, Baohong; Jing, Dingding; Zhang, Chuntao; Chen, Wei","Theoretical and experimental study of pharmaceutical salts: A case of Trimethoprim","CrystEngComm","2024","","","","","10.1039/D4CE00345D","","x-ray","0.71073","MoKα","","0.0623","0.0512","","","0.1301","0.1395","","","","","","1.02","","","","has coordinates,has disorder","292246","2024-06-06","22:47:41",""
"7248803","16.9699","0.0004","17.1267","0.0005","17.9029","0.0003","63.782","0.003","64.481","0.002","84.746","0.002","4181.1","0.2","113.15","","113.15","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H22 N4 O8 -","- C20 H22 N4 O8 -","- C160 H176 N32 O64 -","8","4","","Zhang, Liang; Wu, Di; Zhang, Menglong; Yu, Fuhai; Bao, Ying; Xie, Chuang; Hou, Baohong; Jing, Dingding; Zhang, Chuntao; Chen, Wei","Theoretical and experimental study of pharmaceutical salts: A case of Trimethoprim","CrystEngComm","2024","","","","","10.1039/D4CE00345D","","x-ray","0.71073","MoKα","","0.0797","0.0595","","","0.1476","0.1662","","","","","","1.03","","","","has coordinates","292246","2024-06-06","22:47:42",""
"7248804","11.4318","0.0001","11.9311","0.0001","12.8427","0.0002","83.493","0.001","68.677","0.001","61.801","0.001","1434.43","0.03","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H34 N4 O11 S2 -","- C26 H34 N4 O11 S2 -","- C52 H68 N8 O22 S4 -","2","1","","Zhang, Liang; Wu, Di; Zhang, Menglong; Yu, Fuhai; Bao, Ying; Xie, Chuang; Hou, Baohong; Jing, Dingding; Zhang, Chuntao; Chen, Wei","Theoretical and experimental study of pharmaceutical salts: A case of Trimethoprim","CrystEngComm","2024","","","","","10.1039/D4CE00345D","","x-ray","0.71073","MoKα","","0.0589","0.0464","","","0.1116","0.1201","","","","","","1.037","","","","has coordinates","292246","2024-06-06","22:47:42",""
"7248805","8.8391","0.0005","26.4003","0.0012","9.9765","0.0005","90","","106.136","0.005","90","","2236.4","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H48 B2 Cu F8 N8 O4 -","- C42 H48 B2 Cu F8 N8 O4 -","- C84 H96 B4 Cu2 F16 N16 O8 -","2","0.5","","Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios A.; Perlepes, Spyros; Nastopoulos, Vassilios","Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(II) reaction system","CrystEngComm","2024","","","","","10.1039/D4CE00304G","","","0.71073","MoKα","","0.0715","0.0442","","","0.0839","0.0925","","","","","","1.025","","","","has coordinates,has disorder","292263","2024-06-07","22:39:56",""
"7248806","8.9408","0.0008","9.5997","0.0011","13.2336","0.0009","104.392","0.008","92.473","0.007","106.907","0.009","1044.43","0.18","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H44 B2 Cu F8 N8 O2 -","- C40 H44 B2 Cu F8 N8 O2 -","- C40 H44 B2 Cu F8 N8 O2 -","1","0.5","","Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios A.; Perlepes, Spyros; Nastopoulos, Vassilios","Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(II) reaction system","CrystEngComm","2024","","","","","10.1039/D4CE00304G","","","0.71073","MoKα","","0.0867","0.0667","","","0.1458","0.1626","","","","","","1.055","","","","has coordinates,has disorder","292263","2024-06-07","22:39:57",""
"7248807","9.016","0.0008","9.6842","0.0007","13.7262","0.0008","69.875","0.006","80.108","0.007","72.626","0.007","1070.76","0.15","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C40.2 H43.2 B2 Cu F8 N8 O1.4 -","- C40.2 H43.2 B2 Cu F8 N8 O1.4 -","- C40.2 H43.2 B2 Cu F8 N8 O1.4 -","1","0.5","","Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios A.; Perlepes, Spyros; Nastopoulos, Vassilios","Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(II) reaction system","CrystEngComm","2024","","","","","10.1039/D4CE00304G","","","1.54184","CuKα","","0.0962","0.0845","","","0.2183","0.2317","","","","","","1.026","","","","has coordinates,has disorder","292263","2024-06-07","22:39:58",""
"7248808","15.0482","0.0005","15.3209","0.0005","16.1054","0.0007","103.71","0.003","110.373","0.004","100.587","0.003","3234","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C41.333 H45.333 B2 Cu F8 N8 O1.333 -","- C41.3333 H45.3333 B2 Cu F8 N8 O1.33333 -","- C124 H136 B6 Cu3 F24 N24 O4 -","3","1.5","","Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios A.; Perlepes, Spyros; Nastopoulos, Vassilios","Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(II) reaction system","CrystEngComm","2024","","","","","10.1039/D4CE00304G","","","0.71073","MoKα","","0.0867","0.0573","","","0.1353","0.1558","","","","","","1.038","","","","has coordinates","292263","2024-06-07","22:39:58",""
"7248809","8.8582","0.0004","9.5536","0.0007","13.4305","0.0009","105.47","0.006","92.908","0.005","107.642","0.005","1033.13","0.12","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H40 B2 Cu F8 N8 O2 -","- C38 H40 B2 Cu F8 N8 O2 -","- C38 H40 B2 Cu F8 N8 O2 -","1","0.5","","Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios A.; Perlepes, Spyros; Nastopoulos, Vassilios","Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(II) reaction system","CrystEngComm","2024","","","","","10.1039/D4CE00304G","","","0.71073","MoKα","","0.0509","0.0442","","","0.0983","0.1036","","","","","","1.056","","","","has coordinates,has disorder","292263","2024-06-07","22:39:59",""
"7248810","9.234","0.0006","9.995","0.0008","13.3246","0.0009","105.451","0.006","94.995","0.005","104.322","0.006","1132.98","0.15","100","2","100","2","","","","","","","1-butanol/n-hexane","7","P -1","-P 1","2","","","","- C44 H52 B2 Cu F8 N8 O2 -","- C44 H52 B2 Cu F8 N8 O2 -","- C44 H52 B2 Cu F8 N8 O2 -","1","0.5","","Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios A.; Perlepes, Spyros; Nastopoulos, Vassilios","Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(II) reaction system","CrystEngComm","2024","","","","","10.1039/D4CE00304G","","","0.71073","MoKα","","0.0861","0.0634","","","0.1504","0.1593","","","","","","1.182","","","","has coordinates","292263","2024-06-07","22:39:59",""
"7248811","9.3029","0.0007","9.9439","0.0008","14.3527","0.0011","73.234","0.007","73.473","0.007","73.13","0.007","1187.02","0.17","100","2","100","2","","","","","","","1-pentanol/diethyl ether","7","P -1","-P 1","2","","","","- C46 H56 B2 Cu F8 N8 O2 -","- C46 H56 B2 Cu F8 N8 O2 -","- C46 H56 B2 Cu F8 N8 O2 -","1","0.5","","Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios A.; Perlepes, Spyros; Nastopoulos, Vassilios","Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(II) reaction system","CrystEngComm","2024","","","","","10.1039/D4CE00304G","","","1.54184","CuKα","","0.0401","0.0347","","","0.0872","0.0922","","","","","","1.054","","","","has coordinates,has disorder","292263","2024-06-07","22:39:59",""
"7248812","9.1101","0.0003","9.9335","0.0004","13.3316","0.0006","104.812","0.004","94.552","0.003","104.842","0.004","1113.82","0.08","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H48 B2 Cu F8 N8 O2 -","- C42 H48 B2 Cu F8 N8 O2 -","- C42 H48 B2 Cu F8 N8 O2 -","1","0.5","","Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios A.; Perlepes, Spyros; Nastopoulos, Vassilios","Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(II) reaction system","CrystEngComm","2024","","","","","10.1039/D4CE00304G","","","0.71073","MoKα","","0.0557","0.0431","","","0.097","0.1051","","","","","","1.072","","","","has coordinates","292263","2024-06-07","22:39:59",""
"7248813","9.4113","0.0009","10.2218","0.0012","12.812","0.0012","87.054","0.009","75.179","0.009","70.705","0.01","1123.8","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H48 B2 Cu F8 N8 O2 -","- C44 H48 B2 Cu F8 N8 O2 -","- C44 H48 B2 Cu F8 N8 O2 -","1","0.5","","Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios A.; Perlepes, Spyros; Nastopoulos, Vassilios","Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(II) reaction system","CrystEngComm","2024","","","","","10.1039/D4CE00304G","","","0.71073","MoKα","","0.0761","0.0565","","","0.138","0.1537","","","","","","1.061","","","","has coordinates,has disorder","292263","2024-06-07","22:40:00",""
"7248814","8.95","0.003","9.655","0.003","13.284","0.004","73.31","0.03","87.75","0.02","72.57","0.03","1047.7","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C39.6 H39.2 B2 Cu F8 N8 O1.2 -","- C39.6 H39.2 B2 Cu F8 N8 O1.2 -","- C39.6 H39.2 B2 Cu F8 N8 O1.2 -","1","0.5","","Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios A.; Perlepes, Spyros; Nastopoulos, Vassilios","Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(II) reaction system","CrystEngComm","2024","","","","","10.1039/D4CE00304G","","","0.71073","MoKα","","0.1478","0.0891","","","0.2167","0.2647","","","","","","1.043","","","","has coordinates,has disorder","292263","2024-06-07","22:40:00",""
"7248815","17.5681","0.0007","9.8878","0.0003","24.2057","0.0009","90","","96.253","0.003","90","","4179.8","0.3","100","2","100","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C38.8 H40.4 Cu F4 N8.8 O5.6 Si2 -","- C38.8 H40.4 Cu F4 N8.8 O5.6 Si2 -","- C155.2 H161.6 Cu4 F16 N35.2 O22.4 Si8 -","4","1","","Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios A.; Perlepes, Spyros; Nastopoulos, Vassilios","Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(II) reaction system","CrystEngComm","2024","","","","","10.1039/D4CE00304G","","","0.71073","MoKα","","0.0778","0.061","","","0.1546","0.1676","","","","","","1.061","","","","has coordinates,has disorder","292263","2024-06-07","22:40:00",""
"7248816","8.7411","0.001","9.7698","0.0014","12.811","0.002","97.513","0.013","93.679","0.012","107.576","0.012","1027.8","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H46 B2 Cu F8 N8 -","- C42 H46 B2 Cu F8 N8 -","- C42 H46 B2 Cu F8 N8 -","1","0.5","","Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios A.; Perlepes, Spyros; Nastopoulos, Vassilios","Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(II) reaction system","CrystEngComm","2024","","","","","10.1039/D4CE00304G","","","0.71073","MoKα","","0.064","0.0508","","","0.1155","0.1261","","","","","","1.06","","","","has coordinates","292263","2024-06-07","22:40:00",""
"7248817","9.2904","0.0012","9.9448","0.0016","14.0725","0.0019","110.2","0.013","94.866","0.011","105.768","0.012","1151.1","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H52 B2 Cu F8 N8 O2 -","- C44 H52 B2 Cu F8 N8 O2 -","- C44 H52 B2 Cu F8 N8 O2 -","1","0.5","","Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios A.; Perlepes, Spyros; Nastopoulos, Vassilios","Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(II) reaction system","CrystEngComm","2024","","","","","10.1039/D4CE00304G","","","0.71073","MoKα","","0.0796","0.0565","","","0.1292","0.1503","","","","","","1.051","","","","has coordinates,has disorder","292263","2024-06-07","22:40:00",""
"7248818","9.0724","0.0007","9.8173","0.0007","14.3397","0.0009","75.963","0.006","71.693","0.006","71.238","0.007","1133.8","0.15","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H46 B2 Cu F8 N10 O2 -","- C42 H46 B2 Cu F8 N10 O2 -","- C42 H46 B2 Cu F8 N10 O2 -","1","0.5","","Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios A.; Perlepes, Spyros; Nastopoulos, Vassilios","Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(II) reaction system","CrystEngComm","2024","","","","","10.1039/D4CE00304G","","","0.71073","MoKα","","0.0496","0.0401","","","0.0911","0.1003","","","","","","1.015","","","","has coordinates,has disorder","292263","2024-06-07","22:40:01",""
"7248819","9.2398","0.0007","9.9904","0.0009","12.6976","0.0012","78.043","0.008","85.634","0.007","73.908","0.007","1101.53","0.17","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C43.4 H46.8 B2 Cu F8 N8 O3.7 -","- C43.4 H46.8 B2 Cu F8 N8 O3.7 -","- C43.4 H46.8 B2 Cu F8 N8 O3.7 -","1","0.5","","Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios A.; Perlepes, Spyros; Nastopoulos, Vassilios","Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(II) reaction system","CrystEngComm","2024","","","","","10.1039/D4CE00304G","","","0.71073","MoKα","","0.1355","0.0898","","","0.2293","0.269","","","","","","1.02","","","","has coordinates,has disorder","292263","2024-06-07","22:40:01",""
"7248820","8.7016","0.0006","9.8158","0.0008","12.9608","0.0014","96.464","0.008","96.268","0.008","106.15","0.007","1045.07","0.17","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C40.2 H41.8 B2 Cu F8 N8 O0.7 -","- C40.2 H41.8 B2 Cu F8 N8 O0.7 -","- C40.2 H41.8 B2 Cu F8 N8 O0.7 -","1","0.5","","Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios A.; Perlepes, Spyros; Nastopoulos, Vassilios","Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(II) reaction system","CrystEngComm","2024","","","","","10.1039/D4CE00304G","","","0.71073","MoKα","","0.1009","0.0855","","","0.2155","0.2269","","","","","","1.101","","","","has coordinates,has disorder","292263","2024-06-07","22:40:01",""
"7248821","8.6393","0.0005","9.7696","0.0006","12.8911","0.0008","99.164","0.005","93.555","0.005","106.361","0.006","1024.08","0.11","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C39.44 H38.88 B2 Cu F8 N8 O1.72 -","- C39.44 H38.88 B2 Cu F8 N8 O1.72 -","- C39.44 H38.88 B2 Cu F8 N8 O1.72 -","1","0.5","","Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios A.; Perlepes, Spyros; Nastopoulos, Vassilios","Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(II) reaction system","CrystEngComm","2024","","","","","10.1039/D4CE00304G","","","0.71073","MoKα","","0.0619","0.0555","","","0.1438","0.15","","","","","","1.045","","","","has coordinates,has disorder","292263","2024-06-07","22:40:01",""
"7248822","8.5831","0.0009","9.7612","0.0011","12.8928","0.0011","98.221","0.008","93.854","0.008","107.301","0.01","1013.8","0.19","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H42 B2 Cu F8 N8 O -","- C40 H42 B2 Cu F8 N8 O -","- C40 H42 B2 Cu F8 N8 O -","1","0.5","","Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios A.; Perlepes, Spyros; Nastopoulos, Vassilios","Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(II) reaction system","CrystEngComm","2024","","","","","10.1039/D4CE00304G","","","0.71073","MoKα","","0.0703","0.0466","","","0.0922","0.1025","","","","","","1.033","","","","has coordinates,has disorder","292263","2024-06-07","22:40:01",""
"7248823","11.1724","0.0004","12.347","0.0006","13.8235","0.0006","90","","90","","90","","1906.89","0.14","100","2","100","2","","","","","","","","7","P n n 2","P 2 -2n","34","","","","- C38 H35.8 B2 Cu F8 N9 O0.4 -","- C38 H35.8 B2 Cu F8 N9 O0.4 -","- C76 H71.6 B4 Cu2 F16 N18 O0.8 -","2","0.5","","Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios A.; Perlepes, Spyros; Nastopoulos, Vassilios","Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(II) reaction system","CrystEngComm","2024","","","","","10.1039/D4CE00304G","","","0.71073","MoKα","","0.0543","0.0453","","","0.1162","0.1259","","","","","","1.021","","","","has coordinates,has disorder","292263","2024-06-07","22:40:02",""
"7248826","7.1351","0.0003","24.6782","0.0007","7.2386","0.0003","90","","107.239","0.004","90","","1217.32","0.08","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H13 Cd Cl4 N -","- C7 H13 Cd Cl4 N -","- C28 H52 Cd4 Cl16 N4 -","4","1","","Xu, Zhe-Kun; Zhang, Jia-Mei; Wang, Zhong-Xia","Homochiral Hybrid Hexagonal Antiperovskite Crystals [R and S-3-chloroquinuclidinium]3(CdCl3)(CdCl4)","CrystEngComm","2024","","","","","10.1039/D4CE00504J","","","1.54178","CuKα","","0.1247","0.1025","","","0.2507","0.2752","","","","","","1.027","","","","has coordinates","292324","2024-06-12","22:39:52",""
"7248827","16.7102","0.0001","16.7102","0.0001","6.8101","0.0001","90","","90","","120","","1646.82","0.03","293","2","293","2","","","","","","","","5","P 63","P 6c","173","","","","- C21 H39 Cd2 Cl10 N3 -","- C21 H39 Cd2 Cl10 N3 -","- C42 H78 Cd4 Cl20 N6 -","2","0.333333","","Xu, Zhe-Kun; Zhang, Jia-Mei; Wang, Zhong-Xia","Homochiral Hybrid Hexagonal Antiperovskite Crystals [R and S-3-chloroquinuclidinium]3(CdCl3)(CdCl4)","CrystEngComm","2024","","","","","10.1039/D4CE00504J","","","1.54178","CuKα","","0.1148","0.1135","","","0.2707","0.2733","","","","","","1.191","","","","has coordinates","292324","2024-06-12","22:39:54",""
"7248828","8.3125","0.0009","9.4931","0.0009","11.6083","0.0011","90","","90","","90","","916.03","0.16","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H13 Cl2 N -","- C7 H13 Cl2 N -","- C28 H52 Cl8 N4 -","4","1","","Xu, Zhe-Kun; Zhang, Jia-Mei; Wang, Zhong-Xia","Homochiral Hybrid Hexagonal Antiperovskite Crystals [R and S-3-chloroquinuclidinium]3(CdCl3)(CdCl4)","CrystEngComm","2024","","","","","10.1039/D4CE00504J","","x-ray","0.71073","MoKα","","0.0742","0.0487","","","0.1255","0.1381","","","","","","1.032","","","","has coordinates","292324","2024-06-12","22:39:54",""
"7248829","16.8561","0.0013","16.8561","0.0013","6.8554","0.0005","90","","90","","120","","1686.9","0.2","293","2","293","2","","","","","","","","5","P 63","P 6c","173","","","","- C21 H39 Cd2 Cl10 N3 -","- C21 H39 Cd2 Cl10 N3 -","- C42 H78 Cd4 Cl20 N6 -","2","0.333333","","Xu, Zhe-Kun; Zhang, Jia-Mei; Wang, Zhong-Xia","Homochiral Hybrid Hexagonal Antiperovskite Crystals [R and S-3-chloroquinuclidinium]3(CdCl3)(CdCl4)","CrystEngComm","2024","","","","","10.1039/D4CE00504J","","x-ray","0.71073","MoKα","","0.0681","0.0447","","","0.0953","0.1044","","","","","","0.998","","","","has coordinates","292324","2024-06-12","22:39:54",""
"7248830","8.3391","0.001","9.0572","0.001","15.2669","0.0017","91.249","0.003","100.527","0.003","93.264","0.003","1131.2","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H20 F4 N4 O3 S -","- C23 H20 F4 N4 O3 S -","- C46 H40 F8 N8 O6 S2 -","2","1","","Prashanth, Jupally; Voronin, Alexander P.; Surov, Artem; Balasubramanian, Sridhar","Design of Pyrazine Cocrystals of Enzalutamide –a lead from 1, 4-dioxane Solvates","CrystEngComm","2024","","","","","10.1039/D4CE00566J","","","0.71073","MoKα","","0.0469","0.0357","","","0.0874","0.0946","","","","","","1.026","","","","has coordinates,has disorder","292325","2024-06-12","22:40:27",""
"7248831","8.2956","0.0007","9.1182","0.0008","15.2824","0.0014","91.758","0.003","100.425","0.003","92.84","0.003","1134.57","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H18 F4 N5 O2 S -","- C23 H18 F4 N5 O2 S -","- C46 H36 F8 N10 O4 S2 -","2","1","","Prashanth, Jupally; Voronin, Alexander P.; Surov, Artem; Balasubramanian, Sridhar","Design of Pyrazine Cocrystals of Enzalutamide –a lead from 1, 4-dioxane Solvates","CrystEngComm","2024","","","","","10.1039/D4CE00566J","","","0.71073","MoKα","","0.0697","0.041","","","0.088","0.1007","","","","","","1.013","","","","has coordinates,has disorder","292325","2024-06-12","22:40:28",""
"7248832","11.6684","0.0009","12.5374","0.001","17.0985","0.0013","99.742","0.002","94.952","0.002","117.376","0.002","2150.4","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H34 F8 N9 O4 S2 -","- C44 H34 F8 N9 O4 S2 -","- C88 H68 F16 N18 O8 S4 -","2","1","","Prashanth, Jupally; Voronin, Alexander P.; Surov, Artem; Balasubramanian, Sridhar","Design of Pyrazine Cocrystals of Enzalutamide –a lead from 1, 4-dioxane Solvates","CrystEngComm","2024","","","","","10.1039/D4CE00566J","","","0.71073","MoKα","","0.0504","0.0387","","","0.0924","0.0992","","","","","","1.017","","","","has coordinates,has disorder","292325","2024-06-12","22:40:28",""
"7248833","11.669","0.002","12.5","0.003","17.234","0.004","75.064","0.006","84.535","0.006","62.435","0.005","2152.3","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H36 F8 N8 O5 S2 -","- C44 H36 F8 N8 O5 S2 -","- C88 H72 F16 N16 O10 S4 -","2","1","","Prashanth, Jupally; Voronin, Alexander P.; Surov, Artem; Balasubramanian, Sridhar","Design of Pyrazine Cocrystals of Enzalutamide –a lead from 1, 4-dioxane Solvates","CrystEngComm","2024","","","","","10.1039/D4CE00566J","","","0.71073","MoKα","","0.0884","0.047","","","0.1057","0.1291","","","","","","1.026","","","","has coordinates,has disorder","292325","2024-06-12","22:40:28",""
"7248834","16.8957","0.0007","16.0165","0.0007","16.5508","0.0007","90","","111.295","0.0017","90","","4173","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H21 N O13 S U -","- C14 H21 N O13 S U -","- C112 H168 N8 O104 S8 U8 -","8","1","","ATOINI, Youssef; Harrowfield, Jack; Thuéry, Pierre","4-(Ammoniomethyl)benzoate, a protic zwitterionic bifunctional linker in uranyl ion carboxylate complexes","CrystEngComm","2024","","","","","10.1039/D4CE00381K","","","0.71073","MoKα","","0.0167","0.0153","","","0.0398","0.041","","","","","","1.07","","","","has coordinates","292326","2024-06-12","22:41:45",""
"7248835","8.4357","0.0004","10.8597","0.0005","10.93","0.0005","107.615","0.002","98.577","0.002","110.983","0.0019","852.93","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H19 N O8 U -","- C15 H19 N O8 U -","- C30 H38 N2 O16 U2 -","2","1","","ATOINI, Youssef; Harrowfield, Jack; Thuéry, Pierre","4-(Ammoniomethyl)benzoate, a protic zwitterionic bifunctional linker in uranyl ion carboxylate complexes","CrystEngComm","2024","","","","","10.1039/D4CE00381K","","","0.71073","MoKα","","0.0144","0.0139","","","0.0341","0.0343","","","","","","1.106","","","","has coordinates","292326","2024-06-12","22:41:46",""
"7248836","8.9441","0.0004","15.7697","0.0008","18.0045","0.001","90","","102.834","0.002","90","","2476","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H28 N2 O9 U -","- C20 H28 N2 O9 U -","- C80 H112 N8 O36 U4 -","4","2","","ATOINI, Youssef; Harrowfield, Jack; Thuéry, Pierre","4-(Ammoniomethyl)benzoate, a protic zwitterionic bifunctional linker in uranyl ion carboxylate complexes","CrystEngComm","2024","","","","","10.1039/D4CE00381K","","","0.71073","MoKα","","0.0332","0.0323","","","0.0704","0.0708","","","","","","1.165","","","","has coordinates","292326","2024-06-12","22:41:46",""
"7248837","11.5459","0.0008","7.6285","0.0005","23.9919","0.0018","90","","93.933","0.003","90","","2108.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N2 O8 U -","- C20 H20 N2 O8 U -","- C80 H80 N8 O32 U4 -","4","1","","ATOINI, Youssef; Harrowfield, Jack; Thuéry, Pierre","4-(Ammoniomethyl)benzoate, a protic zwitterionic bifunctional linker in uranyl ion carboxylate complexes","CrystEngComm","2024","","","","","10.1039/D4CE00381K","","","0.71073","MoKα","","0.0448","0.0436","","","0.0949","0.0953","","","","","","1.443","","","","has coordinates","292326","2024-06-12","22:41:47",""
"7248838","8.8256","0.0006","9.8335","0.0007","10.6502","0.0008","69.704","0.003","77.981","0.003","74.084","0.002","827.09","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 N O8.5 U -","- C16 H14 N O8.5 U -","- C32 H28 N2 O17 U2 -","2","1","","ATOINI, Youssef; Harrowfield, Jack; Thuéry, Pierre","4-(Ammoniomethyl)benzoate, a protic zwitterionic bifunctional linker in uranyl ion carboxylate complexes","CrystEngComm","2024","","","","","10.1039/D4CE00381K","","","0.71073","MoKα","","0.0299","0.0274","","","0.0658","0.0684","","","","","","1.154","","","","has coordinates","292326","2024-06-12","22:41:47",""
"7248839","13.397","0.0004","13.1905","0.0004","23.2768","0.0006","90","","90","","90","","4113.3","0.2","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C19 H18.5 N1.5 O10 U -","- C19 H18.5 N1.5 O10 U -","- C152 H148 N12 O80 U8 -","8","2","","ATOINI, Youssef; Harrowfield, Jack; Thuéry, Pierre","4-(Ammoniomethyl)benzoate, a protic zwitterionic bifunctional linker in uranyl ion carboxylate complexes","CrystEngComm","2024","","","","","10.1039/D4CE00381K","","","0.71073","MoKα","","0.0255","0.0246","","","0.0601","0.0606","","","","","","1.066","","","","has coordinates,has disorder","292326","2024-06-12","22:41:47",""
"7248840","8.3349","0.0003","12.2484","0.0003","24.361","0.0008","90","","94.5772","0.0015","90","","2479.06","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H48 N4 O26 U4 -","- C40 H48 N4 O26 U4 -","- C80 H96 N8 O52 U8 -","2","0.5","","ATOINI, Youssef; Harrowfield, Jack; Thuéry, Pierre","4-(Ammoniomethyl)benzoate, a protic zwitterionic bifunctional linker in uranyl ion carboxylate complexes","CrystEngComm","2024","","","","","10.1039/D4CE00381K","","","0.71073","MoKα","","0.0291","0.0275","","","0.0602","0.0607","","","","","","1.336","","","","has coordinates,has disorder","292326","2024-06-12","22:41:47",""
"7248841","21.5579","0.0005","21.5579","0.0005","21.5579","0.0005","90","","90","","90","","10018.9","0.4","299","2","299.15","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C96 H48 O67 Tb12 -","- C96 H48 O67 Tb12 -","- C192 H96 O134 Tb24 -","2","0.0104167","","Cao, Wenqian; Teng, Fangying; Cui, Yuanjing; Qian, Guodong","A Lanthanide Metal-organic Framework Containing Hydrazine Group for Highly Sensitive Luminescent Sensing of Formaldehyde Gas","CrystEngComm","2024","","","","","10.1039/D4CE00406J","","","1.54178","CuKα","","0.0728","0.0693","","","0.1838","0.187","","","","","","1.071","","","","has coordinates","292327","2024-06-12","22:42:26",""
"7248842","9.522","0.0002","19.4852","0.0005","10.4691","0.0002","90","","103.704","0.001","90","","1887.12","0.07","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N11 O Zn -","- C18 H15 N11 O Zn -","- C72 H60 N44 O4 Zn4 -","4","1","","Wu, Jia-Xuan; Mo, Yi-Hong; Lin, Xian; Zhou, Bing-Xun; Cai, Songliang; Fan, Jun; Xie, Mubiao; Zheng, Sheng-Run","A luminescent Zn(II) coordination polymer based on a new tetrazolyl-benzimidazolyl tripodal heterotopic ligand for detecting acetone and triethylamine in water","CrystEngComm","2024","","","","","10.1039/D4CE00445K","","","1.54178","CuKα","","0.0758","0.0723","","","0.1866","0.1926","","","","","","1.104","","","","has coordinates","292328","2024-06-12","22:42:41",""
"7248843","9.5474","0.0005","20.9047","0.001","12.6813","0.0008","90","","92.922","0.005","90","","2527.7","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C62 H51 N2 O6 Pr -","- C62 H51 N2 O6 Pr -","- C124 H102 N4 O12 Pr2 -","2","1","","Peng, Yanhong; Wang, Taoyu; Gao, Cong-Li; Li, Fengcai; Li, Xi-Li","Two chiral lanthanide PrIII and HoIII complexes: NIR luminescent and nonlinear optical properties","CrystEngComm","2024","","","","","10.1039/D4CE00421C","","","0.71073","MoKα","","0.0384","0.0284","","","0.0312","0.0319","","","","","","0.894","","","","has coordinates","292329","2024-06-12","22:42:59",""
"7248844","9.5036","0.0004","20.7058","0.0008","12.7856","0.0009","90","","92.003","0.005","90","","2514.4","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C62 H51 Ho N2 O6 -","- C62 H51 Ho N2 O6 -","- C124 H102 Ho2 N4 O12 -","2","1","","Peng, Yanhong; Wang, Taoyu; Gao, Cong-Li; Li, Fengcai; Li, Xi-Li","Two chiral lanthanide PrIII and HoIII complexes: NIR luminescent and nonlinear optical properties","CrystEngComm","2024","","","","","10.1039/D4CE00421C","","","0.71073","MoKα","","0.0376","0.0288","","","0.0432","0.044","","","","","","1.024","","","","has coordinates","292329","2024-06-12","22:43:00",""
"7248845","7.5146","0.0003","10.6915","0.0005","12.0434","0.0005","103.512","0.002","103.72","0.002","106.57","0.002","852.48","0.07","105","","105","","","","","","","","","7","P -1","-P 1","2","","","","- C32 H20 Cl4 F6 N4 Ni S2 -","- C32 H20 Cl4 F6 N4 Ni S2 -","- C32 H20 Cl4 F6 N4 Ni S2 -","1","0.5","","Streit, Tim-Niclas; Langwald, Jan; Gomila, Rosa Maria; Frontera, Antonio; Malischewski, Moritz","Structural diversity of supramolecular networks formed between polycyanometalates and sulfur-based chalcogen bond donors","CrystEngComm","2024","","","","","10.1039/D4CE00454J","","","0.71073","MoKα","","0.0336","0.0276","","","0.0637","0.0655","","","","","","1.0287","","","","has coordinates","292330","2024-06-12","22:43:38",""
"7248846","9.2339","0.0004","13.5275","0.0007","14.9019","0.0008","105.866","0.002","107.532","0.002","94.354","0.002","1681.72","0.15","105","","105","","","","","","","","","8","P -1","-P 1","2","","TNS ZnCN4","","- C31 H20 Cl2 F6 N4 O S2 Zn -","- C31 H20 Cl2 F6 N4 O S2 Zn -","- C62 H40 Cl4 F12 N8 O2 S4 Zn2 -","2","1","","Streit, Tim-Niclas; Langwald, Jan; Gomila, Rosa Maria; Frontera, Antonio; Malischewski, Moritz","Structural diversity of supramolecular networks formed between polycyanometalates and sulfur-based chalcogen bond donors","CrystEngComm","2024","","","","","10.1039/D4CE00454J","","","0.71073","MoKα","","0.0669","0.0431","","","0.0827","0.0936","","","","","","1.02","","","","has coordinates","292330","2024-06-12","22:43:38",""
"7248847","10.201","0.0005","11.0689","0.0011","11.4836","0.0012","115.214","0.002","97.954","0.002","104.048","0.002","1094","0.17","105","","105","","","","","","","","","7","P 1","P 1","1","","JL-005c","","- C46 H26 Cl2 F9 Fe N6 S3 -","- C46 H26 Cl2 F9 Fe N6 S3 -","- C46 H26 Cl2 F9 Fe N6 S3 -","1","1","","Streit, Tim-Niclas; Langwald, Jan; Gomila, Rosa Maria; Frontera, Antonio; Malischewski, Moritz","Structural diversity of supramolecular networks formed between polycyanometalates and sulfur-based chalcogen bond donors","CrystEngComm","2024","","","","","10.1039/D4CE00454J","","","0.71073","MoKα","","0.0404","0.0316","","","0.0669","0.071","","","","","","1.037","","","","has coordinates","292330","2024-06-12","22:43:39",""
"7248848","38.63","0.005","14.822","0.002","18.028","0.002","90","","101.077","0.004","90","","10130","2","105","","105","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C47 H24 F9 N8 S3 W -","- C47 H24 F9 N8 S3 W -","- C376 H192 F72 N64 S24 W8 -","8","1","","Streit, Tim-Niclas; Langwald, Jan; Gomila, Rosa Maria; Frontera, Antonio; Malischewski, Moritz","Structural diversity of supramolecular networks formed between polycyanometalates and sulfur-based chalcogen bond donors","CrystEngComm","2024","","","","","10.1039/D4CE00454J","","","0.71073","MoKα","","0.0396","0.027","","","0.0613","0.0652","","","","","","1.04","","","","has coordinates","292330","2024-06-12","22:43:39",""
"7248867","7.0554","0.0004","7.0554","0.0004","5.3478","0.0003","90","","90","","120","","230.54","0.02","298","","298","","","","","","","","","5","P -6 m 2","P -6 2","187","","dabcoHBr0.19I0.81","","- C6 H13 Br0.19 I0.81 N2 -","- C6 H13 Br0.19 I0.81 N2 -","- C6 H13 Br0.19 I0.81 N2 -","1","0.0833333","","Ohishi, Yuki; Sambe, Kohei; Dekura, Shun; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Effect of halide solid solution on the structure, phase transition behaviour and dielectric properties of dabcoH+ chains","CrystEngComm","2024","","","","","10.1039/D4CE00310A","","x-ray","0.71073","MoKα","","0.0141","0.0141","","","0.0353","0.0353","","","","","","1.097","","","","has coordinates,has disorder","292407","2024-06-14","22:39:07",""
"7248868","6.9445","0.0009","6.9445","0.0009","5.3334","0.0005","90","","90","","120","","222.75","0.05","298","","298","","","","","","","","","5","P -6 m 2","P -6 2","187","","dabcoHBr0.27I0.73","","- C6 H13 Br0.27 I0.73 N2 -","- C6 H13 Br0.27 I0.73 N2 -","- C6 H13 Br0.27 I0.73 N2 -","1","0.0833333","","Ohishi, Yuki; Sambe, Kohei; Dekura, Shun; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Effect of halide solid solution on the structure, phase transition behaviour and dielectric properties of dabcoH+ chains","CrystEngComm","2024","","","","","10.1039/D4CE00310A","","x-ray","0.71073","MoKα","","0.0263","0.0263","","","0.0667","0.0667","","","","","","1.081","","","","has coordinates,has disorder","292407","2024-06-14","22:39:08",""
"7248869","6.8337","0.0005","6.8337","0.0005","5.3349","0.0003","90","","90","","120","","215.76","0.03","298","","298","","","","","","","","","5","P -6 m 2","P -6 2","187","","dabcoHBr0.64I0.36","","- C6 H13 Br0.64 I0.36 N2 -","- C6 H13 Br0.64 I0.36 N2 -","- C6 H13 Br0.64 I0.36 N2 -","1","0.0833333","","Ohishi, Yuki; Sambe, Kohei; Dekura, Shun; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Effect of halide solid solution on the structure, phase transition behaviour and dielectric properties of dabcoH+ chains","CrystEngComm","2024","","","","","10.1039/D4CE00310A","","x-ray","0.71073","MoKα","","0.0533","0.0525","","","0.1272","0.1275","","","","","","1.077","","","","has coordinates,has disorder","292407","2024-06-14","22:39:09",""
"7248870","6.8015","0.0006","6.8015","0.0006","5.3298","0.0004","90","","90","","120","","213.53","0.03","298","","298","","","","","","","","","5","P -6 m 2","P -6 2","187","","dabcoHBr0.74I0.26","","- C6 H13 Br0.74 I0.26 N2 -","- C6 H13 Br0.74 I0.26 N2 -","- C6 H13 Br0.74 I0.26 N2 -","1","0.0833333","","Ohishi, Yuki; Sambe, Kohei; Dekura, Shun; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Effect of halide solid solution on the structure, phase transition behaviour and dielectric properties of dabcoH+ chains","CrystEngComm","2024","","","","","10.1039/D4CE00310A","","x-ray","0.71073","MoKα","","0.0436","0.0436","","","0.1136","0.1136","","","","","","1.206","","","","has coordinates,has disorder","292407","2024-06-14","22:39:09",""
"7248871","6.7014","0.0005","6.7014","0.0005","5.3164","0.0003","90","","90","","120","","206.77","0.02","112","","112","","","","","","","","","5","P -6 m 2","P -6 2","187","","dabcoHBr0.80I0.20_112K","","- C6 H13 Br0.8 I0.2 N2 -","- C6 H13 Br0.8 I0.2 N2 -","- C6 H13 Br0.8 I0.2 N2 -","1","0.0833333","","Ohishi, Yuki; Sambe, Kohei; Dekura, Shun; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Effect of halide solid solution on the structure, phase transition behaviour and dielectric properties of dabcoH+ chains","CrystEngComm","2024","","","","","10.1039/D4CE00310A","","x-ray","0.71073","MoKα","","0.0313","0.0313","","","0.0715","0.0715","","","","","","1.141","","","","has coordinates,has disorder","292407","2024-06-14","22:39:09",""
"7248872","6.6645","0.0005","6.6645","0.0005","5.3238","0.0004","90","","90","","120","","204.78","0.03","298","","298","","","","","","","","","5","P -6 m 2","P -6 2","187","","dabcoHCl0.03Br0.97","","- C6 H13 Br0.97 Cl0.03 N2 -","- C6 H13 Br0.97 Cl0.03 N2 -","- C6 H13 Br0.97 Cl0.03 N2 -","1","0.0833333","","Ohishi, Yuki; Sambe, Kohei; Dekura, Shun; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Effect of halide solid solution on the structure, phase transition behaviour and dielectric properties of dabcoH+ chains","CrystEngComm","2024","","","","","10.1039/D4CE00310A","","x-ray","0.71073","MoKα","","0.0351","0.0333","","","0.0842","0.0846","","","","","","1.161","","","","has coordinates,has disorder","292407","2024-06-14","22:39:09",""
"7248873","6.7541","0.0006","6.7541","0.0006","5.3383","0.0004","90","","90","","120","","210.9","0.03","298","","298","","","","","","","","","5","P -6 m 2","P -6 2","187","","dabcoHBr0.80I0.20","","- C6 H13 Br0.8 I0.2 N2 -","- C6 H13 Br0.8 I0.2 N2 -","- C6 H13 Br0.8 I0.2 N2 -","1","0.0833333","","Ohishi, Yuki; Sambe, Kohei; Dekura, Shun; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Effect of halide solid solution on the structure, phase transition behaviour and dielectric properties of dabcoH+ chains","CrystEngComm","2024","","","","","10.1039/D4CE00310A","","x-ray","0.71073","MoKα","","0.0394","0.0389","","","0.093","0.0933","","","","","","1.114","","","","has coordinates,has disorder","292407","2024-06-14","22:39:09",""
"7248874","6.6793","0.0006","6.6793","0.0006","5.3178","0.0005","90","","90","","120","","205.46","0.03","298","","298","","","","","","","","","5","P -6 m 2","P -6 2","187","","dabcoHBr0.95I0.05","","- C6 H13 Br0.95 I0.05 N2 -","- C6 H13 Br0.95 I0.05 N2 -","- C6 H13 Br0.95 I0.05 N2 -","1","0.0833333","","Ohishi, Yuki; Sambe, Kohei; Dekura, Shun; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Effect of halide solid solution on the structure, phase transition behaviour and dielectric properties of dabcoH+ chains","CrystEngComm","2024","","","","","10.1039/D4CE00310A","","x-ray","0.71073","MoKα","","0.0327","0.0314","","","0.0717","0.0723","","","","","","1.08","","","","has coordinates,has disorder","292407","2024-06-14","22:39:09",""
"7248875","6.6949","0.0004","6.6949","0.0004","5.3265","0.0004","90","","90","","120","","206.76","0.02","298","","298","","","","","","","","","5","P -6 m 2","P -6 2","187","","dabcoHBr0.90I0.10","","- C6 H13 Br0.9 I0.1 N2 -","- C6 H13 Br0.9 I0.1 N2 -","- C6 H13 Br0.9 I0.1 N2 -","1","0.0833333","","Ohishi, Yuki; Sambe, Kohei; Dekura, Shun; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Effect of halide solid solution on the structure, phase transition behaviour and dielectric properties of dabcoH+ chains","CrystEngComm","2024","","","","","10.1039/D4CE00310A","","x-ray","0.71073","MoKα","","0.0155","0.0155","","","0.0427","0.0427","","","","","","1.24","","","","has coordinates,has disorder","292407","2024-06-14","22:39:09",""
"7248876","19.924","0.008","4.4267","0.0018","20.419","0.008","90","","113.293","0.009","90","","1654.1","1.2","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H8 F4 I2 N4 O2 -","- C13 H8 F4 I2 N4 O2 -","- C52 H32 F16 I8 N16 O8 -","4","1","","Benito, Mónica; Núñez, Rosario; Sinha, Sohini; Roscini, Claudio; Hidalgo-Rosa, Yoan; Schott, Eduardo; Zarate, Ximena; Molins, Elies","Methylxanthines for halogen bonded cocrystals with 1,4-diiodotetrafluorobenzene: green synthesis, structure, photophysics and DFT studies","CrystEngComm","2024","","","","","10.1039/D4CE00138A","","x-ray","0.71073","MoKα","","0.0453","0.0306","","","0.0676","0.0748","","","","","","1.021","","","","has coordinates","292408","2024-06-14","22:39:45",""
"7248877","4.0269","0.0018","7.451","0.003","20.66","0.009","82.022","0.008","88.669","0.008","80.671","0.009","605.8","0.5","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H16 F4 I2 N8 O4 -","- C20 H16 F4 I2 N8 O4 -","- C20 H16 F4 I2 N8 O4 -","1","0.5","","Benito, Mónica; Núñez, Rosario; Sinha, Sohini; Roscini, Claudio; Hidalgo-Rosa, Yoan; Schott, Eduardo; Zarate, Ximena; Molins, Elies","Methylxanthines for halogen bonded cocrystals with 1,4-diiodotetrafluorobenzene: green synthesis, structure, photophysics and DFT studies","CrystEngComm","2024","","","","","10.1039/D4CE00138A","","x-ray","0.71073","MoKα","","0.085","0.0529","","","0.1238","0.141","","","","","","1.008","","","","has coordinates","292408","2024-06-14","22:39:46",""
"7248878","21.904","0.018","4.044","0.004","25.87","0.02","90","","110.9","0.02","90","","2141","3","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 F2 I N8 O4 -","- C19 H20 F2 I N8 O4 -","- C76 H80 F8 I4 N32 O16 -","4","1","","Benito, Mónica; Núñez, Rosario; Sinha, Sohini; Roscini, Claudio; Hidalgo-Rosa, Yoan; Schott, Eduardo; Zarate, Ximena; Molins, Elies","Methylxanthines for halogen bonded cocrystals with 1,4-diiodotetrafluorobenzene: green synthesis, structure, photophysics and DFT studies","CrystEngComm","2024","","","","","10.1039/D4CE00138A","","","0.71073","MoKα","","0.1566","0.0715","","","0.1398","0.1686","","","","","","0.97","","","","has coordinates","292408","2024-06-14","22:39:47",""
"7248879","13.7978","0.0007","14.4468","0.0008","16.7912","0.0009","77.112","0.002","80.384","0.002","67.4","0.002","2999.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C64.85 H54.65 N6.95 O16.95 Zn2 -","- C65.135 H55.315 N7.045 O17.045 Zn2 -","- C130.27 H110.63 N14.09 O34.09 Zn4 -","2","1","","Mbonzhe, Luccile; Mushango, Lufuno; Chatterjee, Nabanita; Loots, Leigh; Oliver, Clive L.; Batisai, Eustina","Three-dimensional metal–organic frameworks (MOFs) containing substituted diimide ligands: synthesis, structures and gas sorption studies","CrystEngComm","2024","","","","","10.1039/D4CE00332B","","","0.71073","MoKα","","0.0856","0.0541","","","0.1382","0.1609","","","","","","1.068","","","","has coordinates,has disorder","292409","2024-06-14","22:40:21",""
"7248880","48.175","0.003","21.8096","0.0012","16.2927","0.001","90","","101.066","0.002","90","","16800.1","1.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C65 H58 Co3 N8 O21 -","- C65 H58 Co3 N8 O21 -","- C520 H464 Co24 N64 O168 -","8","1","","Mbonzhe, Luccile; Mushango, Lufuno; Chatterjee, Nabanita; Loots, Leigh; Oliver, Clive L.; Batisai, Eustina","Three-dimensional metal–organic frameworks (MOFs) containing substituted diimide ligands: synthesis, structures and gas sorption studies","CrystEngComm","2024","","","","","10.1039/D4CE00332B","","","0.71073","MoKα","","0.1042","0.0788","","","0.2487","0.2768","","","","","","1.065","","","","has coordinates","292409","2024-06-14","22:40:22",""
"7248881","6.98","0.0014","9.04","0.0018","10.34","0.002","83.62","0.03","81.85","0.03","77.85","0.03","629.2","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H13 N2 O4 P -","- C12 H13 N2 O4 P -","- C24 H26 N4 O8 P2 -","2","1","","Ward, Jas S.; Kruger, Paul","A Pentametallic Co5L4 Architecture Constructed From Bis-substituted Phosphate-based Ligands","CrystEngComm","2024","","","","","10.1039/D4CE00468J","","","0.71073","Synchrotron","","0.0453","0.0399","","","0.1037","0.1072","","","","","","1.055","","","","has coordinates","292435","2024-06-17","22:43:23",""
"7248882","12.803","0.003","16.333","0.003","14.884","0.003","90","","112.62","0.03","90","","2873","1.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 B Co F4 N8 O4 -","- C28 H22 B Co F4 N8 O4 -","- C112 H88 B4 Co4 F16 N32 O16 -","4","1","","Ward, Jas S.; Kruger, Paul","A Pentametallic Co5L4 Architecture Constructed From Bis-substituted Phosphate-based Ligands","CrystEngComm","2024","","","","","10.1039/D4CE00468J","","","0.71073","Synchrotron","","0.0787","0.055","","","0.1382","0.1538","","","","","","1.02","","","","has coordinates","292435","2024-06-17","22:43:24",""
"7248883","20.379","0.004","20.997","0.004","20.579","0.004","90","","92.08","0.03","90","","8800","3","100","2","100","2","","","","","","","","8","I 1 2 1","I 2y","5","","","","- C154 H138 B6 Co5 F24 N24 O16 P4 -","- C154 H138 B6 Co5 F24 N24 O16 P4 -","- C308 H276 B12 Co10 F48 N48 O32 P8 -","2","0.5","","Ward, Jas S.; Kruger, Paul","A Pentametallic Co5L4 Architecture Constructed From Bis-substituted Phosphate-based Ligands","CrystEngComm","2024","","","","","10.1039/D4CE00468J","","","0.71073","Synchrotron","","0.0652","0.0613","","","0.1604","0.1645","","","","","","1.027","","","","has coordinates,has disorder","292435","2024-06-17","22:43:24",""
"7248884","12.371","0.008","13.385","0.007","17.69","0.002","93.64","0.01","105.06","0.02","91.16","0.01","2821","2","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H64 Cl2 N10 O13 -","- C53 H64 Cl2 N10 O13 -","- C106 H128 Cl4 N20 O26 -","2","1","","Kar, Ananya; Giri, Lopamudra; Kenguva, Gowtham; Rekha Rout, Smruti; Dandela, Rambabu","Polymorphism, phase transition and physicochemical properties investigation of Ensifentrine","CrystEngComm","2024","","","","","10.1039/D4CE00410H","","","0.71073","MoKα","","0.1833","0.0751","","","0.1888","0.2536","","","","","","1.11","","","","has coordinates","292436","2024-06-17","22:43:44",""
"7248888","10.7947","0.0006","13.2243","0.0009","18.4212","0.0011","90","","90","","90","","2629.7","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H29 N3 O18 Sc2 -","- C17 H29 N3 O18 Sc2 -","- C68 H116 N12 O72 Sc8 -","4","1","","Guo, Shuxian; Liu, Sihan; Wen, Xuemei; Cheng, Juan; Wang, Xin; Zeng, Hongmei; Zou, Guohong; Lin, Zhien","Solvent-free synthesis and optical properties of two open-framework metal oxalates with zeolitic ABW and diamondoid topologies","CrystEngComm","2024","","","","","10.1039/D4CE00542B","","x-ray","0.71073","MoKα","","0.0657","0.0434","","","0.1027","0.1137","","","","","","1.062","","","","has coordinates","292469","2024-06-19","22:47:09",""
"7248889","8.4592","0.0005","16.8623","0.0005","8.8757","0.0004","90","","99.942","0.005","90","","1247.03","0.1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H25 In2 N3 O16 -","- C17 H25 In2 N3 O16 -","- C34 H50 In4 N6 O32 -","2","1","","Guo, Shuxian; Liu, Sihan; Wen, Xuemei; Cheng, Juan; Wang, Xin; Zeng, Hongmei; Zou, Guohong; Lin, Zhien","Solvent-free synthesis and optical properties of two open-framework metal oxalates with zeolitic ABW and diamondoid topologies","CrystEngComm","2024","","","","","10.1039/D4CE00542B","","","0.71073","MoKα","","0.0198","0.0188","","","0.0463","0.0466","","","","","","1.044","","","","has coordinates","292469","2024-06-19","22:47:10",""
"7248890","13.4041","0.0002","14.4617","0.0002","18.2115","0.0003","73.8223","0.0013","87.3313","0.0013","87.7248","0.0012","3385.45","0.09","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H68 Eu N31 O49 Tb -","- C36 H68 Eu N31 O49 Tb -","- C72 H136 Eu2 N62 O98 Tb2 -","2","1","","Rakhmanova, Marianna I.; Sukhikh, Taisiya Sergeevna; Kovalenko, Ekaterina","Highly tunable emission properties of solid state supramolecular compounds based on Eu-mixed lanthanide complexes and cucurbit[6]uril","CrystEngComm","2024","","","","","10.1039/D4CE00375F","","x-ray","0.71073","MoKα","","0.0335","0.0263","","","0.0567","0.0603","","","","","","1.03","","","","has coordinates,has disorder","292470","2024-06-19","22:48:10",""
"7248891","13.409","0.0005","14.4887","0.0005","18.21","0.0008","73.8529","0.0014","87.2751","0.0014","87.7447","0.0012","3393.2","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H68 Eu1.4 Ho0.6 N31 O49 -","- C36 H68 Eu1.4 Ho0.6 N31 O49 -","- C72 H136 Eu2.8 Ho1.2 N62 O98 -","2","1","","Rakhmanova, Marianna I.; Sukhikh, Taisiya Sergeevna; Kovalenko, Ekaterina","Highly tunable emission properties of solid state supramolecular compounds based on Eu-mixed lanthanide complexes and cucurbit[6]uril","CrystEngComm","2024","","","","","10.1039/D4CE00375F","","","0.71073","MoKα","","0.1019","0.0569","","","0.1165","0.1369","","","","","","1.163","","","","has coordinates,has disorder","292470","2024-06-19","22:48:14",""
"7248892","14.4113","0.0006","13.6182","0.0007","18.047","0.0009","90","","105.589","0.0016","90","","3411.5","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H68 Eu N31 Nd O49 -","- C36 H68 Eu N31 Nd O49 -","- C72 H136 Eu2 N62 Nd2 O98 -","2","0.5","","Rakhmanova, Marianna I.; Sukhikh, Taisiya Sergeevna; Kovalenko, Ekaterina","Highly tunable emission properties of solid state supramolecular compounds based on Eu-mixed lanthanide complexes and cucurbit[6]uril","CrystEngComm","2024","","","","","10.1039/D4CE00375F","","","0.71073","MoKα","","0.0455","0.0408","","","0.1128","0.1173","","","","","","1.118","","","","has coordinates,has disorder","292470","2024-06-19","22:48:15",""
"7248893","14.42","0.0005","13.589","0.0004","17.9538","0.0006","90","","105.683","0.0013","90","","3387.14","0.19","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H68 Eu N31 O49 Sm -","- C36 H68 Eu N31 O49 Sm -","- C72 H136 Eu2 N62 O98 Sm2 -","2","0.5","","Rakhmanova, Marianna I.; Sukhikh, Taisiya Sergeevna; Kovalenko, Ekaterina","Highly tunable emission properties of solid state supramolecular compounds based on Eu-mixed lanthanide complexes and cucurbit[6]uril","CrystEngComm","2024","","","","","10.1039/D4CE00375F","","","0.71073","MoKα","","0.0425","0.0295","","","0.0675","0.0714","","","","","","1.03","","","","has coordinates,has disorder","292470","2024-06-19","22:48:15",""
"7248894","13.4267","0.0003","14.4721","0.0004","18.2429","0.0004","73.8016","0.001","87.3486","0.001","87.8007","0.0011","3399.26","0.14","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H68 Eu Gd N31 O49 -","- C36 H68 Eu Gd N31 O49 -","- C72 H136 Eu2 Gd2 N62 O98 -","2","1","","Rakhmanova, Marianna I.; Sukhikh, Taisiya Sergeevna; Kovalenko, Ekaterina","Highly tunable emission properties of solid state supramolecular compounds based on Eu-mixed lanthanide complexes and cucurbit[6]uril","CrystEngComm","2024","","","","","10.1039/D4CE00375F","","","0.71073","MoKα","","0.0516","0.0453","","","0.101","0.1035","","","","","","1.203","","","","has coordinates,has disorder","292470","2024-06-19","22:48:16",""
"7248895","13.4214","0.0005","14.4818","0.0006","18.2079","0.0007","73.8732","0.0013","87.4439","0.0013","87.9242","0.0012","3395.3","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H68 Dy Eu N31 O49 -","- C36 H68 Dy Eu N31 O49 -","- C72 H136 Dy2 Eu2 N62 O98 -","2","1","","Rakhmanova, Marianna I.; Sukhikh, Taisiya Sergeevna; Kovalenko, Ekaterina","Highly tunable emission properties of solid state supramolecular compounds based on Eu-mixed lanthanide complexes and cucurbit[6]uril","CrystEngComm","2024","","","","","10.1039/D4CE00375F","","","0.71073","MoKα","","0.0735","0.0613","","","0.149","0.1558","","","","","","1.031","","","","has coordinates,has disorder","292470","2024-06-19","22:48:16",""
"7248896","13.4418","0.0004","14.4661","0.0004","18.2775","0.0006","73.8147","0.001","87.3845","0.0011","87.814","0.0009","3408.45","0.18","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H68 Eu N31 O49 Sm -","- C36 H68 Eu N31 O49 Sm -","- C72 H136 Eu2 N62 O98 Sm2 -","2","1","","Rakhmanova, Marianna I.; Sukhikh, Taisiya Sergeevna; Kovalenko, Ekaterina","Highly tunable emission properties of solid state supramolecular compounds based on Eu-mixed lanthanide complexes and cucurbit[6]uril","CrystEngComm","2024","","","","","10.1039/D4CE00375F","","","0.71073","MoKα","","0.059","0.047","","","0.1221","0.1281","","","","","","1.063","","","","has coordinates,has disorder","292470","2024-06-19","22:48:16",""
"9017408","7.112","","7.112","","25.4089","","90","","90","","120","","1113.01","","","","","","","","","","","","theoretical","3","P 65","P 65","170","","","Vaterite","- C Ca O3 -","- C Ca O3 -","- C18 Ca18 O54 -","18","3","","Demichelis, R.; Raiteri, P.; Gale, J. D.; Dovesi, R.","A new structural model for disorder in vaterite from first-principles calculations","CrystEngComm","2012","14","","44","47","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017409","7.1239","","7.1239","","25.3203","","90","","90","","120","","1112.85","","","","","","","","","","","","theoretical","3","P 32 2 1","P 32 2""","154","","","Vaterite","- C Ca O3 -","- C Ca O3 -","- C18 Ca18 O54 -","18","3","","Demichelis, R.; Raiteri, P.; Gale, J. D.; Dovesi, R.","A new structural model for disorder in vaterite from first-principles calculations","CrystEngComm","2012","14","","44","47","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017410","8.4905","","6.3905","","4.5026","","90","","90","","90","","244.305","","","","","","","","","","","","theoretical","3","A m a 2","A 2 -2a","40","","","Vaterite","- C Ca O3 -","- C Ca O3 -","- C4 Ca4 O12 -","4","0.5","","Demichelis, R.; Raiteri, P.; Gale, J. D.; Dovesi, R.","A new structural model for disorder in vaterite from first-principles calculations","CrystEngComm","2012","14","","44","47","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017411","4.3668","","6.5831","","8.4282","","90","","90","","90","","242.286","","","","","","","","","","","","theoretical","3","P 21 21 21","P 2ac 2ab","19","","","Vaterite","- C Ca O3 -","- C Ca O3 -","- C4 Ca4 O12 -","4","1","","Demichelis, R.; Raiteri, P.; Gale, J. D.; Dovesi, R.","A new structural model for disorder in vaterite from first-principles calculations","CrystEngComm","2012","14","","44","47","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""